smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(/C=C\C(=O)OCCC[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000588449008 747308474 /nfs/dbraw/zinc/30/84/74/747308474.db2.gz WMDSBOJBPAFQDZ-MEJMFZKBSA-N 0 0 322.361 0.600 10 0 DCAERN COc1ccc(/C=C\C(=O)N2CCN(C[C@@H](C)O)CC2)cc1O ZINC000588538401 747417611 /nfs/dbraw/zinc/41/76/11/747417611.db2.gz AGWYLICLSBIHHK-RYWCDNDXSA-N 0 0 320.389 0.939 10 0 DCAERN C[C@H](CO)N(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)C[C@H](C)O ZINC000588553681 747435454 /nfs/dbraw/zinc/43/54/54/747435454.db2.gz WSVGXPGVKDPVCD-AGIUHOORSA-N 0 0 324.425 0.278 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@H]1C(=O)NCC[C@H]1C ZINC000588617598 747555240 /nfs/dbraw/zinc/55/52/40/747555240.db2.gz OYASKCOIUTUTDF-UEKVPHQBSA-N 0 0 319.409 0.329 10 0 DCAERN CC[C@](C)(NS(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000311442800 747898920 /nfs/dbraw/zinc/89/89/20/747898920.db2.gz GZYAMFIYYPKZJP-JTQLQIEISA-N 0 0 309.750 0.806 10 0 DCAERN Cc1cccn(CC(=O)N2CCCN(C(=O)C(C)C)CC2)c1=O ZINC000180156118 758167347 /nfs/dbraw/zinc/16/73/47/758167347.db2.gz UFSLFKRDXODJEV-UHFFFAOYSA-N 0 0 319.405 0.874 10 0 DCAERN CC[C@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C(N)=O ZINC000586273141 768111426 /nfs/dbraw/zinc/11/14/26/768111426.db2.gz QMGRSQMERUWKNO-JTQLQIEISA-N 0 0 309.713 0.736 10 0 DCAERN Nc1c2cccnc2sc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000090021576 773537694 /nfs/dbraw/zinc/53/76/94/773537694.db2.gz CPVFBZZBHHDSAT-ZETCQYMHSA-N 0 0 304.331 0.414 10 0 DCAERN Nc1c2cccnc2sc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000090021574 773537754 /nfs/dbraw/zinc/53/77/54/773537754.db2.gz CPVFBZZBHHDSAT-SSDOTTSWSA-N 0 0 304.331 0.414 10 0 DCAERN O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1cccnc1F ZINC000401809109 774066847 /nfs/dbraw/zinc/06/68/47/774066847.db2.gz DEUBNTNZAYBLPI-MRVPVSSYSA-N 0 0 308.356 0.076 10 0 DCAERN Cn1nncc1CNC(=O)c1nscc1Br ZINC000404838523 774142169 /nfs/dbraw/zinc/14/21/69/774142169.db2.gz LKWYANZZBRISAW-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN O=S1(=O)CCCN1CCNc1cnc(Br)cn1 ZINC000405998720 774190420 /nfs/dbraw/zinc/19/04/20/774190420.db2.gz UYFPFWUJFVECMV-UHFFFAOYSA-N 0 0 321.200 0.687 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC000316235609 774935898 /nfs/dbraw/zinc/93/58/98/774935898.db2.gz UYSQOOMXWCPWHU-QJSMKMSWSA-N 0 0 317.794 0.926 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@@H](O)[C@H](CO)C1 ZINC000316616091 774965887 /nfs/dbraw/zinc/96/58/87/774965887.db2.gz AWJFKXJQCYCLTE-IONNQARKSA-N 0 0 301.140 0.269 10 0 DCAERN CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690672677 976327466 /nfs/dbraw/zinc/32/74/66/976327466.db2.gz DKYVIFLZRZFFHO-WDEREUQCSA-N 0 0 306.428 0.747 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000692358817 976433580 /nfs/dbraw/zinc/43/35/80/976433580.db2.gz IYHOKBWPRNJTAW-GXFFZTMASA-N 0 0 302.396 0.174 10 0 DCAERN CN1C(=O)COc2cc(NC(=O)N3CCOC[C@H](O)C3)ccc21 ZINC000095499282 185374711 /nfs/dbraw/zinc/37/47/11/185374711.db2.gz XWZGCUXNEGFPBZ-LLVKDONJSA-N 0 0 321.333 0.267 10 0 DCAERN CC[C@@H](C)OCC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000299740060 529376637 /nfs/dbraw/zinc/37/66/37/529376637.db2.gz VFKFWQUGGKBGJS-GHMZBOCLSA-N 0 0 309.370 0.356 10 0 DCAERN COC(=O)CCCN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000078931487 185130412 /nfs/dbraw/zinc/13/04/12/185130412.db2.gz UKZPBSVXLUYNQI-UHFFFAOYSA-N 0 0 305.334 0.741 10 0 DCAERN O=C(Cc1cncnc1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000279258199 214742655 /nfs/dbraw/zinc/74/26/55/214742655.db2.gz SVDZJKYVNBVQOG-LBPRGKRZSA-N 0 0 306.391 0.447 10 0 DCAERN COC(=O)c1cc(Br)c(OC)c(S(N)(=O)=O)c1 ZINC000082634894 185191296 /nfs/dbraw/zinc/19/12/96/185191296.db2.gz BKQWFSBJCIPKRD-UHFFFAOYSA-N 0 0 324.152 0.892 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000328630869 231266972 /nfs/dbraw/zinc/26/69/72/231266972.db2.gz QIUFPHAAZXYZFG-GHMZBOCLSA-N 0 0 318.399 0.079 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1cccc3c1OCO3)C2 ZINC000328625203 231256992 /nfs/dbraw/zinc/25/69/92/231256992.db2.gz KLGXIHRCLZBIQU-UHFFFAOYSA-N 0 0 313.313 0.708 10 0 DCAERN CN1CCN(c2c(C(N)=O)noc2C(=O)c2ccccc2)CC1 ZINC000090505056 185299527 /nfs/dbraw/zinc/29/95/27/185299527.db2.gz FBHBOOKDKLWKHN-UHFFFAOYSA-N 0 0 314.345 0.756 10 0 DCAERN Nc1nc2nc[nH]c2c(CCS(=O)(=O)c2ccccc2)n1 ZINC000090602159 185306254 /nfs/dbraw/zinc/30/62/54/185306254.db2.gz JPZKNWDYYJMRJA-UHFFFAOYSA-N 0 0 303.347 0.952 10 0 DCAERN CC(C)N(C(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000092421768 185317189 /nfs/dbraw/zinc/31/71/89/185317189.db2.gz SAYLHPUAGDLZIU-AWEZNQCLSA-N 0 0 305.378 0.614 10 0 DCAERN CCc1ccnc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000181477865 199304286 /nfs/dbraw/zinc/30/42/86/199304286.db2.gz MUSHDHMBLGIVJI-INIZCTEOSA-N 0 0 307.394 0.457 10 0 DCAERN CO[C@@H](C)CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000183008404 199521296 /nfs/dbraw/zinc/52/12/96/199521296.db2.gz DSBWHLPEPUIDCX-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186819496 529844797 /nfs/dbraw/zinc/84/47/97/529844797.db2.gz AVSBYSRIPFJXPZ-OAHLLOKOSA-N 0 0 304.325 0.901 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000178859513 529896474 /nfs/dbraw/zinc/89/64/74/529896474.db2.gz SEUBKACMULDTJP-AWEZNQCLSA-N 0 0 316.361 0.283 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCCNC(=O)C1CCC1)C(C)C ZINC000178457639 529896888 /nfs/dbraw/zinc/89/68/88/529896888.db2.gz NDOTYECSEISTFE-LBPRGKRZSA-N 0 0 312.414 0.363 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(C)C ZINC000178838979 529896091 /nfs/dbraw/zinc/89/60/91/529896091.db2.gz BCVLFVHAMZHRNP-LBPRGKRZSA-N 0 0 304.412 0.231 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(C)C ZINC000178586627 529918505 /nfs/dbraw/zinc/91/85/05/529918505.db2.gz UTTBSQCQBDNBBE-GFCCVEGCSA-N 0 0 309.341 0.329 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000171488911 529924142 /nfs/dbraw/zinc/92/41/42/529924142.db2.gz VOGDLCSOQNYNOQ-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000155150056 530034149 /nfs/dbraw/zinc/03/41/49/530034149.db2.gz WIIBORXVDDVRNZ-GHMZBOCLSA-N 0 0 312.391 0.844 10 0 DCAERN CCC1(CC)CN(C(=O)CN(C)C(C)=O)CCS1(=O)=O ZINC000408379731 282358279 /nfs/dbraw/zinc/35/82/79/282358279.db2.gz OCQGQCPRLZLKCN-UHFFFAOYSA-N 0 0 304.412 0.281 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC[S@@]1=O ZINC000408159453 282364577 /nfs/dbraw/zinc/36/45/77/282364577.db2.gz QSIFLPBFSSAMBU-ZPMVXHMNSA-N 0 0 316.423 0.169 10 0 DCAERN CCc1nc(CNC(=O)Nc2cnn(CC(=O)NC)c2)cs1 ZINC000107855076 185494358 /nfs/dbraw/zinc/49/43/58/185494358.db2.gz GQSFEKUQQDDVPO-UHFFFAOYSA-N 0 0 322.394 0.970 10 0 DCAERN CN(C(=O)CCc1cncc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000181704151 199341829 /nfs/dbraw/zinc/34/18/29/199341829.db2.gz GRIAZBQKJWLLOR-LBPRGKRZSA-N 0 0 300.355 0.799 10 0 DCAERN C[C@@H](N[C@@H](C)c1ccccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181783318 199351922 /nfs/dbraw/zinc/35/19/22/199351922.db2.gz RVKHNYIDAIQMSH-NWDGAFQWSA-N 0 0 304.394 0.858 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC(C)(C)C(C)(C)O ZINC000234573439 201904022 /nfs/dbraw/zinc/90/40/22/201904022.db2.gz RFQKBRKEIJTDBR-UWVGGRQHSA-N 0 0 307.412 0.797 10 0 DCAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000183364081 199581677 /nfs/dbraw/zinc/58/16/77/199581677.db2.gz UOXKLLHAEKYRNQ-JTQLQIEISA-N 0 0 318.782 0.523 10 0 DCAERN O=C1CN(S(=O)(=O)CCc2ccccc2)CCN1C1CC1 ZINC000074812649 545670593 /nfs/dbraw/zinc/67/05/93/545670593.db2.gz RONHVOCOXYUKOE-UHFFFAOYSA-N 0 0 308.403 0.866 10 0 DCAERN Cc1cc(C)n(-c2cncc(N[C@@H]3CCS(=O)(=O)C3)n2)n1 ZINC000084105313 192402695 /nfs/dbraw/zinc/40/26/95/192402695.db2.gz XLLXZISMISAPNW-LLVKDONJSA-N 0 0 307.379 0.878 10 0 DCAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2cnccn2)cn1 ZINC000248114349 282647909 /nfs/dbraw/zinc/64/79/09/282647909.db2.gz IIFAISFVRLQTBT-OLZOCXBDSA-N 0 0 312.333 0.230 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000150711702 186058961 /nfs/dbraw/zinc/05/89/61/186058961.db2.gz PMISRBXHEWLACR-SNVBAGLBSA-N 0 0 305.382 0.359 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@H](C)N(C)C3=O)C2)n(C)n1 ZINC000280030419 215324486 /nfs/dbraw/zinc/32/44/86/215324486.db2.gz IAGPNBNECUEIJE-NWDGAFQWSA-N 0 0 305.382 0.980 10 0 DCAERN C[C@H](NC(N)=O)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175709938 186191053 /nfs/dbraw/zinc/19/10/53/186191053.db2.gz WNFSGBNMQVUYQY-QMMMGPOBSA-N 0 0 307.354 0.889 10 0 DCAERN COCc1cc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)no1 ZINC000173335302 186177695 /nfs/dbraw/zinc/17/76/95/186177695.db2.gz VVOWIRFFFUKMJO-GFCCVEGCSA-N 0 0 306.322 0.559 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccccc1Cn1cncn1 ZINC000173373007 186180687 /nfs/dbraw/zinc/18/06/87/186180687.db2.gz SNDQQTCCCKZTBH-ZDUSSCGKSA-N 0 0 323.360 0.663 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000179686025 186205179 /nfs/dbraw/zinc/20/51/79/186205179.db2.gz JKDNTBXQUTYUOR-SECBINFHSA-N 0 0 322.745 0.354 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(C(N)=O)nc2)CC[S@]1=O ZINC000183864387 186225199 /nfs/dbraw/zinc/22/51/99/186225199.db2.gz CKYZCOWHFBZJDL-JOCHJYFZSA-N 0 0 323.418 0.944 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000253395002 186304098 /nfs/dbraw/zinc/30/40/98/186304098.db2.gz BTYDBSPVJCFCOW-OLZOCXBDSA-N 0 0 303.355 0.910 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@H](c2ccccn2)C1 ZINC000072364001 191133263 /nfs/dbraw/zinc/13/32/63/191133263.db2.gz SIOGKUILMIUXRX-ZDUSSCGKSA-N 0 0 311.407 0.838 10 0 DCAERN O=C(NC[C@H]1CCCOC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171903504 198005396 /nfs/dbraw/zinc/00/53/96/198005396.db2.gz SORWLTVLCVMWCQ-ZIAGYGMSSA-N 0 0 308.382 0.720 10 0 DCAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)C(N)=O ZINC000171968920 198018353 /nfs/dbraw/zinc/01/83/53/198018353.db2.gz FUTLGLLJGITNBH-QMMMGPOBSA-N 0 0 311.769 0.838 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000172054334 198032047 /nfs/dbraw/zinc/03/20/47/198032047.db2.gz ACLICSMGQYIJGH-JSGCOSHPSA-N 0 0 312.435 0.709 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)c1 ZINC000172126662 198043110 /nfs/dbraw/zinc/04/31/10/198043110.db2.gz ACNXJROZILCBMU-ZJUUUORDSA-N 0 0 318.299 0.765 10 0 DCAERN CC(C)(CNC(=O)CNC(=O)c1ccccn1)N1CCOCC1 ZINC000172494120 198105699 /nfs/dbraw/zinc/10/56/99/198105699.db2.gz UVLYBDNFVDUJNT-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCNC(=O)c1ccccc1F ZINC000172609777 198123618 /nfs/dbraw/zinc/12/36/18/198123618.db2.gz HLDVGRHAICLRTQ-CYBMUJFWSA-N 0 0 311.357 0.872 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1nc(-c3ccncc3)nn12 ZINC000072462361 191173416 /nfs/dbraw/zinc/17/34/16/191173416.db2.gz QZRCOEXLHOHVAR-UHFFFAOYSA-N 0 0 324.304 0.184 10 0 DCAERN O=C(N[C@@H]1CCCOC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000173162987 198190977 /nfs/dbraw/zinc/19/09/77/198190977.db2.gz HMICWULNWOSQMK-UONOGXRCSA-N 0 0 316.357 0.801 10 0 DCAERN Cn1nccc1/C=C/C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000193093355 282854926 /nfs/dbraw/zinc/85/49/26/282854926.db2.gz MCNMSEJGGIQAGY-LFAOLKIESA-N 0 0 310.357 0.872 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000173399936 198210701 /nfs/dbraw/zinc/21/07/01/198210701.db2.gz KQJAWTZGCCQGNQ-HNNXBMFYSA-N 0 0 319.409 0.627 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)NCc2noc(C)n2)c1 ZINC000173547313 198225691 /nfs/dbraw/zinc/22/56/91/198225691.db2.gz AKNPFJUUYDMKKU-GFCCVEGCSA-N 0 0 306.322 0.919 10 0 DCAERN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]1 ZINC000173855081 198260973 /nfs/dbraw/zinc/26/09/73/198260973.db2.gz HFNJCJDULOHXFR-BXUZGUMPSA-N 0 0 305.378 0.476 10 0 DCAERN COCCN1C[C@H](C(=O)NCc2ccc(Cl)cn2)CC1=O ZINC000182165979 199396107 /nfs/dbraw/zinc/39/61/07/199396107.db2.gz JGFKZIHFNXVWAJ-SNVBAGLBSA-N 0 0 311.769 0.846 10 0 DCAERN CO[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C ZINC000073218123 191293140 /nfs/dbraw/zinc/29/31/40/191293140.db2.gz UGCYLQXLYBXJHZ-NSHDSACASA-N 0 0 321.381 0.307 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000153912076 295900661 /nfs/dbraw/zinc/90/06/61/295900661.db2.gz HNXKKZUGVZTJOX-UONOGXRCSA-N 0 0 319.409 0.383 10 0 DCAERN CCc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000074773651 191358390 /nfs/dbraw/zinc/35/83/90/191358390.db2.gz QUQTYTXHSUOQCY-JTQLQIEISA-N 0 0 304.437 0.919 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@H](CCSC)NC(N)=O ZINC000038020943 283124576 /nfs/dbraw/zinc/12/45/76/283124576.db2.gz BZZFBBYMXAAZBR-JTQLQIEISA-N 0 0 319.427 0.578 10 0 DCAERN CCOC(=O)c1cccc(NC(=O)CSc2nncn2N)c1 ZINC000005580983 181259657 /nfs/dbraw/zinc/25/96/57/181259657.db2.gz ZPAGAYJDNBVTFM-UHFFFAOYSA-N 0 0 321.362 0.899 10 0 DCAERN C[C@](O)(CNC(=O)c1cc(F)ccc1F)CN1CCOCC1 ZINC000080894308 192199066 /nfs/dbraw/zinc/19/90/66/192199066.db2.gz LRIOJFFUEFPRKX-HNNXBMFYSA-N 0 0 314.332 0.778 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC(C)(O)CC2)[C@H]1c1cccnc1 ZINC000177789530 198777473 /nfs/dbraw/zinc/77/74/73/198777473.db2.gz GKAHWTQLWNSHEJ-UKRRQHHQSA-N 0 0 317.389 0.974 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000177797833 198779345 /nfs/dbraw/zinc/77/93/45/198779345.db2.gz BPRYOBWVHIEXHE-YUMQZZPRSA-N 0 0 314.411 0.907 10 0 DCAERN NC(=O)CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178473755 198873424 /nfs/dbraw/zinc/87/34/24/198873424.db2.gz BRMNCXPETHLZEZ-ZCFIWIBFSA-N 0 0 304.272 0.525 10 0 DCAERN CN1N=C(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CCC1=O ZINC000374758036 283258668 /nfs/dbraw/zinc/25/86/68/283258668.db2.gz JHKVZDUZURCISF-RISCZKNCSA-N 0 0 323.393 0.279 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)NCCCc1ccccn1 ZINC000178615639 198897158 /nfs/dbraw/zinc/89/71/58/198897158.db2.gz AKSUBKHXVLRKFZ-UHFFFAOYSA-N 0 0 305.378 0.769 10 0 DCAERN CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CCC1=O ZINC000005871094 181291934 /nfs/dbraw/zinc/29/19/34/181291934.db2.gz JVKKBKMKPSDEBX-UHFFFAOYSA-N 0 0 304.302 0.951 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1nc2ccccc2n1C ZINC000179223963 199001164 /nfs/dbraw/zinc/00/11/64/199001164.db2.gz DHDKCUOYUGZMOQ-CYBMUJFWSA-N 0 0 315.377 0.993 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000179270467 199007718 /nfs/dbraw/zinc/00/77/18/199007718.db2.gz BFPZTFBFAIFAAX-CYBMUJFWSA-N 0 0 318.377 0.248 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)c2cnn(CC)c2)CC1 ZINC000179399961 199029678 /nfs/dbraw/zinc/02/96/78/199029678.db2.gz VWZNZQOTRKXEMC-ZDUSSCGKSA-N 0 0 308.382 0.001 10 0 DCAERN Nc1cc(=O)[nH]c(SCN2C(=O)c3ccccc3C2=O)n1 ZINC000005888967 181293871 /nfs/dbraw/zinc/29/38/71/181293871.db2.gz ZNUQKQSDYNNHEM-UHFFFAOYSA-N 0 0 302.315 0.698 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2sc(C)cn2c1=O ZINC000179851706 199088239 /nfs/dbraw/zinc/08/82/39/199088239.db2.gz ARFUHTHKDJHOOA-JTQLQIEISA-N 0 0 320.374 0.415 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180382493 199152342 /nfs/dbraw/zinc/15/23/42/199152342.db2.gz XTLGTZAHDJNOTP-UHFFFAOYSA-N 0 0 303.322 0.251 10 0 DCAERN CC[C@@](NC(=O)Cn1c2ccccc2[nH]c1=O)(C(N)=O)C(C)C ZINC000180292325 199142443 /nfs/dbraw/zinc/14/24/43/199142443.db2.gz MHQAOADLNYTJSD-INIZCTEOSA-N 0 0 318.377 0.736 10 0 DCAERN COCC[C@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180455680 199161491 /nfs/dbraw/zinc/16/14/91/199161491.db2.gz QZIBCAAKVDKHLI-JTQLQIEISA-N 0 0 317.349 0.951 10 0 DCAERN CNC(=O)[C@@H]1CCCN1c1cc(C(F)(F)F)nc2ncnn21 ZINC000076836609 283397556 /nfs/dbraw/zinc/39/75/56/283397556.db2.gz RCXZHAZCEJFREL-ZETCQYMHSA-N 0 0 314.271 0.858 10 0 DCAERN C[C@]1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCO1 ZINC000123821278 236946700 /nfs/dbraw/zinc/94/67/00/236946700.db2.gz WVVPLJBZSJNZDJ-CYBMUJFWSA-N 0 0 304.412 0.774 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000152853206 237010518 /nfs/dbraw/zinc/01/05/18/237010518.db2.gz DKUDAFXQWLNEPY-MRXNPFEDSA-N 0 0 301.346 0.770 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000153088791 237017358 /nfs/dbraw/zinc/01/73/58/237017358.db2.gz BWYALPIERZWCIQ-AOOOYVTPSA-N 0 0 316.379 0.779 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2F)CCS1(=O)=O ZINC000159194086 237072081 /nfs/dbraw/zinc/07/20/81/237072081.db2.gz QXCQBMFTZPXFQZ-SECBINFHSA-N 0 0 307.368 0.633 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000180651168 237256662 /nfs/dbraw/zinc/25/66/62/237256662.db2.gz DRNCIHHQOVMJDC-RYUDHWBXSA-N 0 0 315.439 0.564 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187340177 200098464 /nfs/dbraw/zinc/09/84/64/200098464.db2.gz DHHJDQWTDJOWLL-VIFPVBQESA-N 0 0 316.379 0.923 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2nc(C)nn2c1 ZINC000281034884 216034875 /nfs/dbraw/zinc/03/48/75/216034875.db2.gz USPAHVVKWOBYMZ-LLVKDONJSA-N 0 0 302.338 0.780 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000186722143 237322483 /nfs/dbraw/zinc/32/24/83/237322483.db2.gz BRTUZODHGYQUHS-FZMZJTMJSA-N 0 0 306.362 0.654 10 0 DCAERN O=C(N[C@H](CO)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000187460354 237350371 /nfs/dbraw/zinc/35/03/71/237350371.db2.gz FAROCTHHNKUHOR-CQSZACIVSA-N 0 0 310.313 0.782 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CCN1CCO ZINC000187648702 200140116 /nfs/dbraw/zinc/14/01/16/200140116.db2.gz MSJWZSPFGUSBNZ-LLVKDONJSA-N 0 0 313.348 0.902 10 0 DCAERN C[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1CCO ZINC000187655415 200141198 /nfs/dbraw/zinc/14/11/98/200141198.db2.gz LTVLGESTDZFKMG-AWEZNQCLSA-N 0 0 312.435 0.459 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000191745876 291196752 /nfs/dbraw/zinc/19/67/52/291196752.db2.gz MNPSCRFGGSIVFU-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN COC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@H](C)O1 ZINC000188268503 200219794 /nfs/dbraw/zinc/21/97/94/200219794.db2.gz CMEWIDWVLLSROI-KBPBESRZSA-N 0 0 320.389 0.987 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)c1sc(C)nc1C ZINC000281119904 216092514 /nfs/dbraw/zinc/09/25/14/216092514.db2.gz HINPZNNDHTULIQ-MRVPVSSYSA-N 0 0 322.433 0.997 10 0 DCAERN COc1cc(OC)cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188690452 200289451 /nfs/dbraw/zinc/28/94/51/200289451.db2.gz SWYRAVOKOXAAFU-LBPRGKRZSA-N 0 0 308.378 0.842 10 0 DCAERN Cc1nc(C(=O)NCc2cccc(C(N)=O)c2)c(=O)[nH]c1C ZINC000154172790 291211474 /nfs/dbraw/zinc/21/14/74/291211474.db2.gz CQUJWPGNFDCZRQ-UHFFFAOYSA-N 0 0 300.318 0.416 10 0 DCAERN CCC[C@H](C(=O)NCCCN(C)S(=O)(=O)CC)[NH+](C)C ZINC000161589748 291242126 /nfs/dbraw/zinc/24/21/26/291242126.db2.gz OJICWLUZVZYLMW-GFCCVEGCSA-N 0 0 307.460 0.505 10 0 DCAERN Cc1nc(C(=O)NCCCOCC2CCOCC2)c(=O)[nH]c1C ZINC000163507845 291246435 /nfs/dbraw/zinc/24/64/35/291246435.db2.gz MZGFKUMWRFSPKZ-UHFFFAOYSA-N 0 0 323.393 0.950 10 0 DCAERN COCCC1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000164117812 291246999 /nfs/dbraw/zinc/24/69/99/291246999.db2.gz BSBCYDGOTPCWOC-UHFFFAOYSA-N 0 0 319.365 0.063 10 0 DCAERN Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)nc1 ZINC000275897979 238315343 /nfs/dbraw/zinc/31/53/43/238315343.db2.gz IDVQVJRYRJIGHP-LBPRGKRZSA-N 0 0 321.381 0.040 10 0 DCAERN C[C@]1(F)CNCCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC000566009077 291263839 /nfs/dbraw/zinc/26/38/39/291263839.db2.gz ACOUUSNVXSIBFD-AWEZNQCLSA-N 0 0 304.329 0.436 10 0 DCAERN C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281494589 216340906 /nfs/dbraw/zinc/34/09/06/216340906.db2.gz JWLBCPBCSWAWEB-CHWSQXEVSA-N 0 0 319.409 0.943 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CC(C)(C(N)=O)C2)c1 ZINC000566172794 291277112 /nfs/dbraw/zinc/27/71/12/291277112.db2.gz GJEWKKBLPDHNLU-CYBMUJFWSA-N 0 0 306.362 0.436 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000281563245 216387547 /nfs/dbraw/zinc/38/75/47/216387547.db2.gz LUAQUZXJMIWPAL-HTQZYQBOSA-N 0 0 302.352 0.485 10 0 DCAERN O=C([O-])[C@@H]1CCCN1C(=O)C[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC000103600068 304111778 /nfs/dbraw/zinc/11/17/78/304111778.db2.gz KWZNLUFQUDQQJU-DCRFOKDXSA-N 0 0 322.405 0.735 10 0 in-vitro DCAERN C[N@H+](CCN1CCCS1(=O)=O)C1(C(=O)[O-])CCCCC1 ZINC000566507764 291310123 /nfs/dbraw/zinc/31/01/23/291310123.db2.gz BFGQIPYXACPZHA-UHFFFAOYSA-N 0 0 304.412 0.741 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CN2CCCCC2=O)cn1 ZINC000275509738 212382952 /nfs/dbraw/zinc/38/29/52/212382952.db2.gz WQYQKLALCLTDKR-XJKSGUPXSA-N 0 0 320.393 0.769 10 0 DCAERN COC(=O)[C@@H]1CCCCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000366147019 291328609 /nfs/dbraw/zinc/32/86/09/291328609.db2.gz LLIBURWPCNNNAH-KBPBESRZSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000567025945 291333369 /nfs/dbraw/zinc/33/33/69/291333369.db2.gz MABUTNBJHJSBRD-OKABZXITSA-N 0 0 305.440 0.384 10 0 DCAERN CNC(=O)Cn1nc(C)n2c(cc3c2cccc3OC)c1=O ZINC000006749774 181382613 /nfs/dbraw/zinc/38/26/13/181382613.db2.gz BZHIXZYSQNAQDC-UHFFFAOYSA-N 0 0 300.318 0.712 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000441799901 240537115 /nfs/dbraw/zinc/53/71/15/240537115.db2.gz JXNRQZXTFBCODC-MRVPVSSYSA-N 0 0 322.287 0.357 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CCCF)CC12COC2 ZINC000451617454 240665386 /nfs/dbraw/zinc/66/53/86/240665386.db2.gz BAUPFJZKTGQJHE-SNVBAGLBSA-N 0 0 309.359 0.187 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784119 193107456 /nfs/dbraw/zinc/10/74/56/193107456.db2.gz DPYHHGNMKRZHGN-ZDUSSCGKSA-N 0 0 306.362 0.785 10 0 DCAERN COc1ccc(C[C@H](C)C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091783624 193108018 /nfs/dbraw/zinc/10/80/18/193108018.db2.gz HFKJLKOGBDXZGK-FZMZJTMJSA-N 0 0 306.362 0.587 10 0 DCAERN Cc1ccc(O)c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000091930013 193128184 /nfs/dbraw/zinc/12/81/84/193128184.db2.gz SGYAFMVPTUBUFH-UHFFFAOYSA-N 0 0 318.377 0.018 10 0 DCAERN Cc1ccccc1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457472009 241007944 /nfs/dbraw/zinc/00/79/44/241007944.db2.gz GJNGDHCMNPJZFT-AWEZNQCLSA-N 0 0 303.366 0.489 10 0 DCAERN CCN(C(=O)c1cc(C)cc(C(=O)OC)c1)[C@@H]1CC(=O)NC1=O ZINC000457513683 241010105 /nfs/dbraw/zinc/01/01/05/241010105.db2.gz UILBMKMJBNINAJ-GFCCVEGCSA-N 0 0 318.329 0.659 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457715071 241028665 /nfs/dbraw/zinc/02/86/65/241028665.db2.gz UXXRUDNWKKWWIO-MRXNPFEDSA-N 0 0 323.345 0.826 10 0 DCAERN O=C(NCCOc1cccc(F)c1)NC[C@H](O)Cn1ccnn1 ZINC000457821972 241038918 /nfs/dbraw/zinc/03/89/18/241038918.db2.gz MZQFDHYWWHUCNJ-LBPRGKRZSA-N 0 0 323.328 0.156 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000493711845 241151363 /nfs/dbraw/zinc/15/13/63/241151363.db2.gz USJXPMSETHKAHQ-MNOVXSKESA-N 0 0 321.377 0.741 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000365580492 291390240 /nfs/dbraw/zinc/39/02/40/291390240.db2.gz HRKPCMFJPATUNA-FRRDWIJNSA-N 0 0 317.407 0.769 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176600142 284007144 /nfs/dbraw/zinc/00/71/44/284007144.db2.gz JYJBELNHFWSQHI-MNOVXSKESA-N 0 0 307.354 0.708 10 0 DCAERN CCc1ccc(-c2noc(CN3CCOC[C@H]3C(N)=O)n2)cc1 ZINC000092230607 193177277 /nfs/dbraw/zinc/17/72/77/193177277.db2.gz YEHCONCSBIJZEY-ZDUSSCGKSA-N 0 0 316.361 0.985 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCC(=O)N1CCc2ccccc21 ZINC000092229773 193177283 /nfs/dbraw/zinc/17/72/83/193177283.db2.gz CLFZQFJYCNFSKJ-AWEZNQCLSA-N 0 0 303.362 0.152 10 0 DCAERN Cc1ccccc1Cc1noc(CN2CCOC[C@@H]2C(N)=O)n1 ZINC000092229440 193177329 /nfs/dbraw/zinc/17/73/29/193177329.db2.gz SQCWCWJMBFYKLZ-CYBMUJFWSA-N 0 0 316.361 0.655 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000092230196 193177576 /nfs/dbraw/zinc/17/75/76/193177576.db2.gz NRWOKLDJGUOOBE-LLVKDONJSA-N 0 0 312.753 0.797 10 0 DCAERN CC(C)c1cccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000092229854 193177649 /nfs/dbraw/zinc/17/76/49/193177649.db2.gz PHAVZTYRIJCKEV-CQSZACIVSA-N 0 0 305.378 0.935 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000189878197 284035179 /nfs/dbraw/zinc/03/51/79/284035179.db2.gz GZIVXCGIYNAGJD-OAHLLOKOSA-N 0 0 306.366 0.255 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC(=O)N1C ZINC000282139721 216772201 /nfs/dbraw/zinc/77/22/01/216772201.db2.gz IAKXXVSSOJYATM-GHMZBOCLSA-N 0 0 306.366 0.227 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(N)=O ZINC000371978668 296137445 /nfs/dbraw/zinc/13/74/45/296137445.db2.gz IYJVJGRMSHAECU-LLVKDONJSA-N 0 0 303.428 0.741 10 0 DCAERN COCCCOc1cccc([C@@H]2NC(=O)[C@@H]3COCCN23)c1 ZINC000093883116 193322445 /nfs/dbraw/zinc/32/24/45/193322445.db2.gz MIIGESOCHWXDLP-LSDHHAIUSA-N 0 0 306.362 0.931 10 0 DCAERN C[C@@H](N[C@H](C)c1ccccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181783335 296158639 /nfs/dbraw/zinc/15/86/39/296158639.db2.gz RVKHNYIDAIQMSH-VXGBXAGGSA-N 0 0 304.394 0.858 10 0 DCAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000264075044 203706191 /nfs/dbraw/zinc/70/61/91/203706191.db2.gz XPZLLHAGJCURRP-QWHCGFSZSA-N 0 0 319.361 0.633 10 0 DCAERN O=C(c1cc(-c2ccco2)n[nH]1)N1CCN2CCOC[C@H]2C1 ZINC000371784875 296167283 /nfs/dbraw/zinc/16/72/83/296167283.db2.gz VQQLOKFTVRPYMN-LLVKDONJSA-N 0 0 302.334 0.826 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000264900477 204253612 /nfs/dbraw/zinc/25/36/12/204253612.db2.gz NCULNELFTSQKET-JQWIXIFHSA-N 0 0 315.381 0.703 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1C(=O)c1cccn(C)c1=O)C1CC1 ZINC000264943925 204290684 /nfs/dbraw/zinc/29/06/84/204290684.db2.gz ABLKZFTXILXFMB-LBPRGKRZSA-N 0 0 321.402 0.521 10 0 DCAERN CC(C)n1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000265233900 204472827 /nfs/dbraw/zinc/47/28/27/204472827.db2.gz CTIAEUPFNOHYGI-JTQLQIEISA-N 0 0 300.384 0.228 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)no1 ZINC000265497075 204657264 /nfs/dbraw/zinc/65/72/64/204657264.db2.gz YBCRYFRGRLYROJ-ZJUUUORDSA-N 0 0 322.408 0.320 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC000572070730 291547398 /nfs/dbraw/zinc/54/73/98/291547398.db2.gz NJNVHYGXDDVHCT-UHFFFAOYSA-N 0 0 316.405 0.907 10 0 DCAERN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(O)cc1 ZINC000019731563 182139403 /nfs/dbraw/zinc/13/94/03/182139403.db2.gz PVGJZAYOGVYILA-SECBINFHSA-N 0 0 305.377 0.200 10 0 DCAERN O=c1n(CN2CCOCC2)nc2n1-c1ccccc1SC2 ZINC000019889256 182161112 /nfs/dbraw/zinc/16/11/12/182161112.db2.gz XLQYBOLWXSQZNZ-UHFFFAOYSA-N 0 0 304.375 0.929 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)N1CCN(C)CC1 ZINC000020000665 182176241 /nfs/dbraw/zinc/17/62/41/182176241.db2.gz PXSVVOHPLGJTIQ-NSHDSACASA-N 0 0 306.435 0.895 10 0 DCAERN COCCNC(=O)[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000020317040 182205789 /nfs/dbraw/zinc/20/57/89/182205789.db2.gz FRBMCMLJILMGSL-SNVBAGLBSA-N 0 0 300.380 0.653 10 0 DCAERN CCOC(=O)C[C@@](O)(C(=O)OCC)[C@H](C(C)=O)C(=O)OCC ZINC000038882661 183011956 /nfs/dbraw/zinc/01/19/56/183011956.db2.gz WBBUYACCVIYKCV-RISCZKNCSA-N 0 0 318.322 0.002 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000408366598 291669500 /nfs/dbraw/zinc/66/95/00/291669500.db2.gz YJVCGDMKMFGKEE-ZWNOBZJWSA-N 0 0 303.380 0.508 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)s1 ZINC000041529939 183198130 /nfs/dbraw/zinc/19/81/30/183198130.db2.gz RVPWUUKBEXXHHH-UHFFFAOYSA-N 0 0 304.437 0.609 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)c(F)c1 ZINC000042278557 183248971 /nfs/dbraw/zinc/24/89/71/183248971.db2.gz XJARZSACDHOKPE-UHFFFAOYSA-N 0 0 308.356 0.258 10 0 DCAERN NC(=S)c1ccccc1S(=O)(=O)N(CCO)C1CC1 ZINC000042480863 183275530 /nfs/dbraw/zinc/27/55/30/183275530.db2.gz VYQJQSDLCIPWQW-UHFFFAOYSA-N 0 0 300.405 0.466 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000104778985 194038136 /nfs/dbraw/zinc/03/81/36/194038136.db2.gz MTRHNJOPOJZZDO-GFCCVEGCSA-N 0 0 317.393 0.735 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)n1 ZINC000105221679 194087049 /nfs/dbraw/zinc/08/70/49/194087049.db2.gz GETDOWFQARKTBF-GHMZBOCLSA-N 0 0 311.386 0.329 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C2CC2)CC1)[C@H](C)N1CCOCC1 ZINC000105298318 194093828 /nfs/dbraw/zinc/09/38/28/194093828.db2.gz RMDDWIUGKCLXMO-KGLIPLIRSA-N 0 0 310.442 0.585 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000273876305 211133942 /nfs/dbraw/zinc/13/39/42/211133942.db2.gz QCIPUPZRXVIBBE-SNVBAGLBSA-N 0 0 307.350 0.526 10 0 DCAERN Cn1nnc2ccc(-c3nc([C@H]4CN5CCN4CC5)no3)cc21 ZINC000273866742 211126253 /nfs/dbraw/zinc/12/62/53/211126253.db2.gz CMESSHHDZZBTAP-CYBMUJFWSA-N 0 0 311.349 0.691 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000046941790 183574448 /nfs/dbraw/zinc/57/44/48/183574448.db2.gz DOSOFHQVSMEINE-UHFFFAOYSA-N 0 0 314.393 0.843 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)OC)CC1 ZINC000105917889 194168240 /nfs/dbraw/zinc/16/82/40/194168240.db2.gz OJMSLFYSYFCIOV-UHFFFAOYSA-N 0 0 314.817 0.927 10 0 DCAERN CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(N)=O ZINC000106416297 194212242 /nfs/dbraw/zinc/21/22/42/194212242.db2.gz LDCHLNGPKXPLRK-MFKMUULPSA-N 0 0 309.410 0.794 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000106504396 194219990 /nfs/dbraw/zinc/21/99/90/194219990.db2.gz NIUPKLBLRCNXCF-LLVKDONJSA-N 0 0 300.318 0.274 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1cccc(C)c1 ZINC000106780626 194252512 /nfs/dbraw/zinc/25/25/12/194252512.db2.gz XTCVRCFPBHSWST-UONOGXRCSA-N 0 0 318.373 0.579 10 0 DCAERN NC(=O)CCCNC(=O)c1cc(Br)cnc1N ZINC000050704433 183800883 /nfs/dbraw/zinc/80/08/83/183800883.db2.gz HUQYVPXLOOMBLI-UHFFFAOYSA-N 0 0 301.144 0.422 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)cc(Cl)n1 ZINC000122914628 291754783 /nfs/dbraw/zinc/75/47/83/291754783.db2.gz IBPHDVCHCPPZCW-GFCCVEGCSA-N 0 0 313.785 0.466 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110453191 194331195 /nfs/dbraw/zinc/33/11/95/194331195.db2.gz SRURTJYGIISJEF-QWHCGFSZSA-N 0 0 301.346 0.848 10 0 DCAERN CC1(C)C(=O)NCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000110709650 194353490 /nfs/dbraw/zinc/35/34/90/194353490.db2.gz JJQPPURGVXGMBL-UHFFFAOYSA-N 0 0 302.334 0.067 10 0 DCAERN CC[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000111003692 194380281 /nfs/dbraw/zinc/38/02/81/194380281.db2.gz LADUAMITBQSZMM-GHMZBOCLSA-N 0 0 319.365 0.156 10 0 DCAERN CCOC(=O)CNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000057300190 184032819 /nfs/dbraw/zinc/03/28/19/184032819.db2.gz MPODTXOCCUMGCQ-UHFFFAOYSA-N 0 0 304.306 0.744 10 0 DCAERN CC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000060941436 184158615 /nfs/dbraw/zinc/15/86/15/184158615.db2.gz ZZPDHDMAPUMDMK-UHFFFAOYSA-N 0 0 310.442 0.141 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCC[N@H+](CC(=O)[O-])CC2)c1 ZINC000061145388 184163298 /nfs/dbraw/zinc/16/32/98/184163298.db2.gz BQMBUFNIALNBQB-UHFFFAOYSA-N 0 0 312.391 0.776 10 0 DCAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCNC(=O)C1 ZINC000061498427 184171638 /nfs/dbraw/zinc/17/16/38/184171638.db2.gz KAKJWEMRVJDQIV-UHFFFAOYSA-N 0 0 301.346 0.381 10 0 DCAERN CCn1ccnc(NCc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000061762165 184187297 /nfs/dbraw/zinc/18/72/97/184187297.db2.gz VCNIQEFMKQCCQA-UHFFFAOYSA-N 0 0 308.363 0.523 10 0 DCAERN C[C@H](CNCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1 ZINC000062097247 184205908 /nfs/dbraw/zinc/20/59/08/184205908.db2.gz PJSRJKYMWSBZIA-SECBINFHSA-N 0 0 303.350 0.104 10 0 DCAERN Cc1[nH]c(=O)sc1S(=O)(=O)NCCc1nccs1 ZINC000063140267 184273216 /nfs/dbraw/zinc/27/32/16/184273216.db2.gz XTPMXGRLYVZLOL-UHFFFAOYSA-N 0 0 305.406 0.722 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)N1CCS(=O)(=O)CC1 ZINC000067573289 184473159 /nfs/dbraw/zinc/47/31/59/184473159.db2.gz OGSJJBVJTYRFTL-UHFFFAOYSA-N 0 0 322.346 0.999 10 0 DCAERN CC(=O)NCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112740076 194516009 /nfs/dbraw/zinc/51/60/09/194516009.db2.gz GNECYLYXHZBFCC-UHFFFAOYSA-N 0 0 307.398 0.747 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nnc(C(C)C)n1C ZINC000330837496 252647507 /nfs/dbraw/zinc/64/75/07/252647507.db2.gz ITSLHIMJKGJEPK-JTQLQIEISA-N 0 0 311.411 0.476 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)N(C(C)=O)C1 ZINC000333203509 252693715 /nfs/dbraw/zinc/69/37/15/252693715.db2.gz OEBABUMORLHGHO-LJIGWXMPSA-N 0 0 324.421 0.776 10 0 DCAERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cnnn1C ZINC000333340491 252708309 /nfs/dbraw/zinc/70/83/09/252708309.db2.gz SSPMPLPNFVNQCF-WCQYABFASA-N 0 0 322.390 0.966 10 0 DCAERN COCCNC(=O)CNS(=O)(=O)c1cccc2ccccc21 ZINC000176659364 533003400 /nfs/dbraw/zinc/00/34/00/533003400.db2.gz XJXQTSQAYODONU-UHFFFAOYSA-N 0 0 322.386 0.881 10 0 DCAERN CN(C)C(=O)CN1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000119839407 195046655 /nfs/dbraw/zinc/04/66/55/195046655.db2.gz OZMUXTAFFPLWAM-UHFFFAOYSA-N 0 0 324.812 0.971 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000339724328 253133777 /nfs/dbraw/zinc/13/37/77/253133777.db2.gz SAGGZHCSOQUFBG-ZETCQYMHSA-N 0 0 306.746 0.982 10 0 DCAERN COc1ncc(NC(=O)CCc2ccnc(C)n2)cc1C(N)=O ZINC000342959298 253568420 /nfs/dbraw/zinc/56/84/20/253568420.db2.gz HMQVMJRCHOSVDA-UHFFFAOYSA-N 0 0 315.333 0.859 10 0 DCAERN O=C1NC[C@H]2CN(C[C@@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459655 296384180 /nfs/dbraw/zinc/38/41/80/296384180.db2.gz YMUKOTIDTAYKPO-QWRGUYRKSA-N 0 0 301.337 0.455 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)c1 ZINC000343731659 253693931 /nfs/dbraw/zinc/69/39/31/253693931.db2.gz SQSHMNDLOJVOBI-CQSZACIVSA-N 0 0 319.361 0.855 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@H](C3CCC3)C2)O1 ZINC000408121124 291877861 /nfs/dbraw/zinc/87/78/61/291877861.db2.gz LNPQFWSQNORKAI-HZSPNIEDSA-N 0 0 311.378 0.982 10 0 DCAERN CCN1C(=O)CC[C@@H](C(=O)N2CC[C@@H](O)C2)[C@H]1c1cnn(C)c1 ZINC000408273359 285156859 /nfs/dbraw/zinc/15/68/59/285156859.db2.gz CDCORVDMTIFFAG-UMVBOHGHSA-N 0 0 320.393 0.313 10 0 DCAERN CC(=O)c1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c(F)c1 ZINC000346792266 254096378 /nfs/dbraw/zinc/09/63/78/254096378.db2.gz RONYNZJBPSMBPC-UHFFFAOYSA-N 0 0 319.292 0.678 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000347449198 254157653 /nfs/dbraw/zinc/15/76/53/254157653.db2.gz OESGYCHHNUNGIS-LBPRGKRZSA-N 0 0 319.361 0.903 10 0 DCAERN COc1cncc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)n1 ZINC000301291648 533130469 /nfs/dbraw/zinc/13/04/69/533130469.db2.gz NWDYJINXTYKIKQ-UHFFFAOYSA-N 0 0 322.756 0.549 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)S(N)(=O)=O ZINC000350620810 254319613 /nfs/dbraw/zinc/31/96/13/254319613.db2.gz OPUFNQDREPMRFY-WRWORJQWSA-N 0 0 318.782 0.437 10 0 DCAERN COc1ccc(OC)c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350629228 254321237 /nfs/dbraw/zinc/32/12/37/254321237.db2.gz MDWPREIVZDCBAZ-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN C[C@@H](CNC(=O)c1occc1Br)S(N)(=O)=O ZINC000350630131 254321594 /nfs/dbraw/zinc/32/15/94/254321594.db2.gz WQYSNIRFAOUENN-YFKPBYRVSA-N 0 0 311.157 0.449 10 0 DCAERN CN(CCCCO)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000351792228 254369162 /nfs/dbraw/zinc/36/91/62/254369162.db2.gz VZUGJJGYNOLSLV-UHFFFAOYSA-N 0 0 300.380 0.903 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCCCCC1 ZINC000408418938 291923561 /nfs/dbraw/zinc/92/35/61/291923561.db2.gz FCTWQBWYDIVAEN-SNVBAGLBSA-N 0 0 308.425 0.655 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000247412466 285265045 /nfs/dbraw/zinc/26/50/45/285265045.db2.gz QEHVXIJVQDUJMT-UPJWGTAASA-N 0 0 319.471 0.934 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC000247412450 285265065 /nfs/dbraw/zinc/26/50/65/285265065.db2.gz QEHVXIJVQDUJMT-AGIUHOORSA-N 0 0 319.471 0.934 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1Cc1nnnn1CC(F)(F)F ZINC000344357539 285312277 /nfs/dbraw/zinc/31/22/77/285312277.db2.gz CWHLOPCVILRCFX-IUCAKERBSA-N 0 0 309.292 0.471 10 0 DCAERN Cn1ccnc1CN1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000248118767 257107916 /nfs/dbraw/zinc/10/79/16/257107916.db2.gz JIJVMRPKYAOFSA-HUUCEWRRSA-N 0 0 311.389 0.906 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H](O)[C@H]2Cc2cnn(C)c2)cn1 ZINC000248121668 257108639 /nfs/dbraw/zinc/10/86/39/257108639.db2.gz KFVIRTUVKPFGNU-HUUCEWRRSA-N 0 0 300.362 0.942 10 0 DCAERN CO[C@@H]1Cn2cccc2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000248060007 257110948 /nfs/dbraw/zinc/11/09/48/257110948.db2.gz UHHQIGVZFQJLNC-GFCCVEGCSA-N 0 0 310.379 0.441 10 0 DCAERN Cc1nnc(C[C@@H]2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3O2)o1 ZINC000247996901 257111973 /nfs/dbraw/zinc/11/19/73/257111973.db2.gz DHELEBLREYPHMO-MDZLAQPJSA-N 0 0 315.333 0.640 10 0 DCAERN COc1cccc(CN2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)n1 ZINC000247913828 257114188 /nfs/dbraw/zinc/11/41/88/257114188.db2.gz FJCOUBURTVMPCI-HUUCEWRRSA-N 0 0 305.378 0.912 10 0 DCAERN O=C(c1ccncc1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000247904729 257114767 /nfs/dbraw/zinc/11/47/67/257114767.db2.gz LPTOSSQXEGUTJQ-TZMCWYRMSA-N 0 0 309.329 0.607 10 0 DCAERN O=C(c1cocn1)N1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000247858938 257115848 /nfs/dbraw/zinc/11/58/48/257115848.db2.gz LUTBCZOBTJJRPW-NSHDSACASA-N 0 0 316.317 0.917 10 0 DCAERN COCC(=O)NC[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247858054 257116157 /nfs/dbraw/zinc/11/61/57/257116157.db2.gz UYCDJSIMYOCNLW-CQSZACIVSA-N 0 0 308.382 0.181 10 0 DCAERN COCC(=O)NC[C@@H]1CCC[C@@]2(CCN(c3ncccn3)C2)O1 ZINC000247817377 257117524 /nfs/dbraw/zinc/11/75/24/257117524.db2.gz GOPCBUWAQCLSHX-BBRMVZONSA-N 0 0 320.393 0.757 10 0 DCAERN O=C([C@@H]1COC[C@@H]2CN(c3ccncn3)C[C@@H]21)N1CCCC1 ZINC000247762690 257118014 /nfs/dbraw/zinc/11/80/14/257118014.db2.gz IHKOSMNJRRNISQ-MELADBBJSA-N 0 0 302.378 0.798 10 0 DCAERN O=C(NC1CCC1)[C@@H]1CN(c2ccncn2)C[C@@H]2OCC[C@@H]21 ZINC000247720564 257119244 /nfs/dbraw/zinc/11/92/44/257119244.db2.gz ADVXHYJWUZIZFI-MCIONIFRSA-N 0 0 302.378 0.987 10 0 DCAERN CS(=O)(=O)N1CCO[C@H]2CN(Cc3ccsc3)C[C@H]2C1 ZINC000247537380 257119711 /nfs/dbraw/zinc/11/97/11/257119711.db2.gz QYYWJVAPMHYYAB-STQMWFEESA-N 0 0 316.448 0.840 10 0 DCAERN O=C([C@@H]1C[C@H]2CCN(c3ncccn3)C[C@@H]2O1)N1CCCO1 ZINC000253615470 257104393 /nfs/dbraw/zinc/10/43/93/257104393.db2.gz AHXISHIEZVINQF-AGIUHOORSA-N 0 0 304.350 0.624 10 0 DCAERN Cc1cnc(C(=O)N2CCC3(CC2)OCC(=O)N[C@@H]3C)cn1 ZINC000253601599 257104444 /nfs/dbraw/zinc/10/44/44/257104444.db2.gz UQFDHLYICRDFMQ-LLVKDONJSA-N 0 0 304.350 0.295 10 0 DCAERN COC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000262520460 533349085 /nfs/dbraw/zinc/34/90/85/533349085.db2.gz KRKJTZNRCBXLLU-SECBINFHSA-N 0 0 308.306 0.595 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C(C)=O)CC1 ZINC000181677600 533452334 /nfs/dbraw/zinc/45/23/34/533452334.db2.gz GHVQFFSDLIWCBP-UHFFFAOYSA-N 0 0 317.349 0.281 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC000275391488 130313798 /nfs/dbraw/zinc/31/37/98/130313798.db2.gz ADUKTRSBJTXNJP-ZETCQYMHSA-N 0 0 323.827 0.950 10 0 DCAERN C[C@H]1CCSCCN1C(=O)Cn1cnc2c1ncnc2N ZINC000276720100 130539377 /nfs/dbraw/zinc/53/93/77/130539377.db2.gz AMLBRGAANOJPMU-VIFPVBQESA-N 0 0 306.395 0.763 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)Nc2cnns2)CCN1C ZINC000277294950 130598659 /nfs/dbraw/zinc/59/86/59/130598659.db2.gz SVHNVIZQUUGPLI-VIFPVBQESA-N 0 0 307.383 0.792 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCOCC3)C2)n(C)n1 ZINC000277782425 130639085 /nfs/dbraw/zinc/63/90/85/130639085.db2.gz GQQLFWGRAGRORG-CYBMUJFWSA-N 0 0 307.398 0.739 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000277801011 130640032 /nfs/dbraw/zinc/64/00/32/130640032.db2.gz VPBUVWNOIYHNOC-OWCLPIDISA-N 0 0 302.374 0.984 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284043095 131043287 /nfs/dbraw/zinc/04/32/87/131043287.db2.gz OXOZASYNSIZPKG-RDBSUJKOSA-N 0 0 307.398 0.386 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091687 131048446 /nfs/dbraw/zinc/04/84/46/131048446.db2.gz NAVILKNXNUVLRG-KGLIPLIRSA-N 0 0 318.373 0.889 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545814 131091599 /nfs/dbraw/zinc/09/15/99/131091599.db2.gz DHWYSBWACKZOHB-ZIAGYGMSSA-N 0 0 303.362 0.331 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cc1F ZINC000284584407 131094299 /nfs/dbraw/zinc/09/42/99/131094299.db2.gz ITMQLRIAGJIREN-HNNXBMFYSA-N 0 0 320.324 0.615 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2ncnc3cccc(F)c32)C1 ZINC000284587287 131095319 /nfs/dbraw/zinc/09/53/19/131095319.db2.gz PZZVGXDIRNSVNO-AWEZNQCLSA-N 0 0 300.297 0.985 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C[C@H]1C(N)=O ZINC000284696377 131104808 /nfs/dbraw/zinc/10/48/08/131104808.db2.gz XCASVBCJSALEGT-LDYMZIIASA-N 0 0 319.336 0.904 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]21 ZINC000284912933 131121692 /nfs/dbraw/zinc/12/16/92/131121692.db2.gz IAGCOZLKSWLSCB-OLZOCXBDSA-N 0 0 314.345 0.995 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000284953732 131125562 /nfs/dbraw/zinc/12/55/62/131125562.db2.gz VYYWHOBDGMFMNN-FZMZJTMJSA-N 0 0 319.336 0.951 10 0 DCAERN C[C@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1)c1nnc2n1CCC2 ZINC000285378890 131162660 /nfs/dbraw/zinc/16/26/60/131162660.db2.gz UIANNUYITATVMF-MXWKQRLJSA-N 0 0 321.381 0.037 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000285508471 131175182 /nfs/dbraw/zinc/17/51/82/131175182.db2.gz MQJXWMYYLXITLN-MLGOLLRUSA-N 0 0 303.362 0.340 10 0 DCAERN CCOC(=O)c1csc(NCCN2CCCS2(=O)=O)n1 ZINC000294541165 131842981 /nfs/dbraw/zinc/84/29/81/131842981.db2.gz VXXVTLOCROXVCY-UHFFFAOYSA-N 0 0 319.408 0.767 10 0 DCAERN C[C@@H](CN1CCN(Cc2ccncc2)CC1)CS(C)(=O)=O ZINC000119755758 132135212 /nfs/dbraw/zinc/13/52/12/132135212.db2.gz QUNRYRHDRUISTC-AWEZNQCLSA-N 0 0 311.451 0.880 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408075193 285511178 /nfs/dbraw/zinc/51/11/78/285511178.db2.gz UOYFOCRLCFHQBI-BTTYYORXSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCS1(=O)=O ZINC000121982634 132161661 /nfs/dbraw/zinc/16/16/61/132161661.db2.gz JMIGNDOYRXTHIA-SECBINFHSA-N 0 0 316.404 0.123 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000113130297 132174797 /nfs/dbraw/zinc/17/47/97/132174797.db2.gz OGTPFOYMJULIGG-NEPJUHHUSA-N 0 0 318.439 0.573 10 0 DCAERN COC(=O)C[C@H](C(=O)OC)N1CCN(c2ccccc2)CC1 ZINC000039280786 134708078 /nfs/dbraw/zinc/70/80/78/134708078.db2.gz NCRIFCIBKWCTPS-CQSZACIVSA-N 0 0 306.362 0.913 10 0 DCAERN COc1ccc(CNC(=O)NCCCN2CCCC2=O)cn1 ZINC000009736350 395685520 /nfs/dbraw/zinc/68/55/20/395685520.db2.gz HQFPPNJUCIPZJL-UHFFFAOYSA-N 0 0 306.366 0.902 10 0 DCAERN CN1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000013118910 395688404 /nfs/dbraw/zinc/68/84/04/395688404.db2.gz STECJAGHUSJQJN-USLFZFAMSA-N 0 0 303.358 0.918 10 0 biogenic,in-vitro DCAERN CN(CC(=O)NC(N)=O)Cc1ccccc1N1CCOCC1 ZINC000016424777 395690492 /nfs/dbraw/zinc/69/04/92/395690492.db2.gz CFALMVCCGOKHOI-UHFFFAOYSA-N 0 0 306.366 0.150 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)OCc1cc(=O)n2ccccc2n1 ZINC000018354321 395690892 /nfs/dbraw/zinc/69/08/92/395690892.db2.gz YDXAEINSBBMNMO-ZDUSSCGKSA-N 0 0 315.329 0.749 10 0 DCAERN C[NH+](C)CCc1nc2ccccc2c(N[C@@H](CO)C(=O)[O-])n1 ZINC000001316821 395680790 /nfs/dbraw/zinc/68/07/90/395680790.db2.gz KVSTZXYHPWUNBB-LBPRGKRZSA-N 0 0 304.350 0.591 10 0 DCAERN COCCNC(=O)CN1CCN(Cc2ccccc2C)C1=O ZINC000006728578 395683136 /nfs/dbraw/zinc/68/31/36/395683136.db2.gz JBIRVQMPXLWJFM-UHFFFAOYSA-N 0 0 305.378 0.995 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1O ZINC000089217065 395708743 /nfs/dbraw/zinc/70/87/43/395708743.db2.gz XPMVLGRIUVLOPE-BBBLOLIVSA-N 0 0 323.315 0.562 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000089355671 395710379 /nfs/dbraw/zinc/71/03/79/395710379.db2.gz FHTSKDVZUOGEHY-NEPJUHHUSA-N 0 0 312.753 0.476 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)cc12 ZINC000032829635 395714375 /nfs/dbraw/zinc/71/43/75/395714375.db2.gz BIXFMDCTVUKHBY-CYBMUJFWSA-N 0 0 315.377 0.970 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC000089752448 395714513 /nfs/dbraw/zinc/71/45/13/395714513.db2.gz WCPQUJYIHNRACJ-QMMMGPOBSA-N 0 0 310.741 0.788 10 0 DCAERN CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cn(C)c(C)n1 ZINC000089783364 395715349 /nfs/dbraw/zinc/71/53/49/395715349.db2.gz UONFOTWXTBVBES-SECBINFHSA-N 0 0 303.384 0.739 10 0 DCAERN COCC(=O)N1CCN(c2ccc3c(c2)OCO3)C(=O)[C@@H]1C ZINC000037520472 395727842 /nfs/dbraw/zinc/72/78/42/395727842.db2.gz CNPQIQMITAQKGH-JTQLQIEISA-N 0 0 306.318 0.625 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CC[C@@H](C)[C@@H](O)C1 ZINC000092977459 395735101 /nfs/dbraw/zinc/73/51/01/395735101.db2.gz LBGSIZVCHPICEG-KOLCDFICSA-N 0 0 305.338 0.206 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000042008828 395741337 /nfs/dbraw/zinc/74/13/37/395741337.db2.gz SQFGOYBAROMNSX-GHMZBOCLSA-N 0 0 307.350 0.477 10 0 DCAERN COC(=O)CCN(CC(=O)NC(C)(C)C)C[C@@H]1CCCO1 ZINC000096593157 395754713 /nfs/dbraw/zinc/75/47/13/395754713.db2.gz KSBSLASUCPICCQ-LBPRGKRZSA-N 0 0 300.399 0.945 10 0 DCAERN C[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000106272183 395781844 /nfs/dbraw/zinc/78/18/44/395781844.db2.gz DBXXLJJOAWAYPC-LAJNKCICSA-N 0 0 310.419 0.875 10 0 DCAERN Cn1cnc2c1CCN(CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000106667453 395783250 /nfs/dbraw/zinc/78/32/50/395783250.db2.gz UPIJYPJXNRRKOL-CVEARBPZSA-N 0 0 318.421 0.948 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758918 395783497 /nfs/dbraw/zinc/78/34/97/395783497.db2.gz YOUPUFNJEDBTBL-GJZGRUSLSA-N 0 0 323.437 0.614 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000193943413 395783793 /nfs/dbraw/zinc/78/37/93/395783793.db2.gz PKYGUGXEQWXNOY-SECBINFHSA-N 0 0 318.370 0.214 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000194022086 395786239 /nfs/dbraw/zinc/78/62/39/395786239.db2.gz PBOWQGYSAKBINN-XBFCOCLRSA-N 0 0 319.409 0.890 10 0 DCAERN Cc1ccc(CN(C)C(=O)NCCC(=O)N2CCOCC2)o1 ZINC000194062469 395787176 /nfs/dbraw/zinc/78/71/76/395787176.db2.gz NYHKLMHQAMOYFH-UHFFFAOYSA-N 0 0 309.366 0.978 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000193597126 395773831 /nfs/dbraw/zinc/77/38/31/395773831.db2.gz REHMKBBUBZJZQE-LBPRGKRZSA-N 0 0 316.365 0.802 10 0 DCAERN COC(=O)c1cc(F)ccc1Cn1nc(C(N)=O)ccc1=O ZINC000103719309 395774657 /nfs/dbraw/zinc/77/46/57/395774657.db2.gz LSLKLQWBGIPIJP-UHFFFAOYSA-N 0 0 305.265 0.316 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723746 395805247 /nfs/dbraw/zinc/80/52/47/395805247.db2.gz SBHSPGBOGBJPKI-ZDUSSCGKSA-N 0 0 301.350 0.328 10 0 DCAERN CC(C)[C@H](CNC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1 ZINC000194762319 395807358 /nfs/dbraw/zinc/80/73/58/395807358.db2.gz AZVVLEVIXMBLIB-AWEZNQCLSA-N 0 0 322.409 0.864 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@]1(O)CCSC1 ZINC000270785578 395808222 /nfs/dbraw/zinc/80/82/22/395808222.db2.gz KOKRNFPSDABEQD-FZMZJTMJSA-N 0 0 308.407 0.430 10 0 DCAERN NC(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cn1 ZINC000194797665 395808371 /nfs/dbraw/zinc/80/83/71/395808371.db2.gz QYPZGWPXZHZIIN-UHFFFAOYSA-N 0 0 322.328 0.691 10 0 DCAERN CCN1CN(S(=O)(=O)c2cccc3nsnc32)CC1=O ZINC000194813235 395808630 /nfs/dbraw/zinc/80/86/30/395808630.db2.gz JZSYHTBPZJYQLM-UHFFFAOYSA-N 0 0 312.376 0.502 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000194795885 395808751 /nfs/dbraw/zinc/80/87/51/395808751.db2.gz PXFMFPYWJMKGTF-IUCAKERBSA-N 0 0 308.363 0.209 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@]3(O)CCSC3)CC2)n1 ZINC000270796415 395809292 /nfs/dbraw/zinc/80/92/92/395809292.db2.gz MRYYVMRMDGIJBZ-CQSZACIVSA-N 0 0 324.406 0.002 10 0 DCAERN CN(CCN(C)c1ccccc1)C(=O)CN1CC(=O)NC1=O ZINC000111616867 395810542 /nfs/dbraw/zinc/81/05/42/395810542.db2.gz NWCZCQBRDBZBQD-UHFFFAOYSA-N 0 0 304.350 0.133 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOCC12CCCC2 ZINC000270807764 395811006 /nfs/dbraw/zinc/81/10/06/395811006.db2.gz XLRGJQIDLUAHLM-UHFFFAOYSA-N 0 0 316.365 0.580 10 0 DCAERN C[C@@H](NC(=O)Nc1cc(F)cc(N2CCOCC2)c1)C(N)=O ZINC000194980287 395812615 /nfs/dbraw/zinc/81/26/15/395812615.db2.gz AHPWFDRCZAWKOI-SECBINFHSA-N 0 0 310.329 0.658 10 0 DCAERN [NH3+]CCCC(=O)Nc1ccc(CC(=O)NCCC(=O)[O-])cc1 ZINC000048523796 395816525 /nfs/dbraw/zinc/81/65/25/395816525.db2.gz OPGPOPNWRROAFN-UHFFFAOYSA-N 0 0 307.350 0.497 10 0 DCAERN C[C@H](C(=O)NCC1(C)COC1)N1C(=O)c2ccccc2C1=O ZINC000112618942 395819983 /nfs/dbraw/zinc/81/99/83/395819983.db2.gz QSMFBTWXCBTJDM-SNVBAGLBSA-N 0 0 302.330 0.824 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000112651482 395820907 /nfs/dbraw/zinc/82/09/07/395820907.db2.gz XJQBHANXKVKIDU-GFCCVEGCSA-N 0 0 311.345 0.908 10 0 DCAERN O=C(NCCCNc1ccccn1)N[C@H]1CCc2ncnn2C1 ZINC000112743871 395824122 /nfs/dbraw/zinc/82/41/22/395824122.db2.gz UEZFZNTYDLZEEI-LBPRGKRZSA-N 0 0 315.381 0.789 10 0 DCAERN CC(C)c1nc([C@H]2CCCN2Cc2nc(N)nc(N)n2)no1 ZINC000195374771 395825342 /nfs/dbraw/zinc/82/53/42/395825342.db2.gz PJAYHMPEGVAGLY-MRVPVSSYSA-N 0 0 304.358 0.880 10 0 DCAERN COC(=O)c1cc(CN(CC(N)=O)C(=O)OC)ccc1OC ZINC000112974610 395826602 /nfs/dbraw/zinc/82/66/02/395826602.db2.gz OMLFRJBMVHNSNI-UHFFFAOYSA-N 0 0 310.306 0.536 10 0 DCAERN Cc1c([C@@H](C)NC(=O)NC[C@H](C)N2CCOCC2)cnn1C ZINC000049130616 395828822 /nfs/dbraw/zinc/82/88/22/395828822.db2.gz IKLNYHSTVBBWJI-NWDGAFQWSA-N 0 0 309.414 0.809 10 0 DCAERN Nc1ccccc1S(=O)(=O)NC[C@@H]1CCCS1(=O)=O ZINC000212555066 395835886 /nfs/dbraw/zinc/83/58/86/395835886.db2.gz YOQCIZWAOMMLIU-VIFPVBQESA-N 0 0 304.393 0.124 10 0 DCAERN C[C@@H](O)CCNC(=O)NCCNC(=O)c1c(F)cccc1F ZINC000114831896 395837029 /nfs/dbraw/zinc/83/70/29/395837029.db2.gz UFDQNRQWUOGVIX-SECBINFHSA-N 0 0 315.320 0.765 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cscn1 ZINC000050406453 395838580 /nfs/dbraw/zinc/83/85/80/395838580.db2.gz OGQJDKGKVAXJQX-LLVKDONJSA-N 0 0 317.436 0.964 10 0 DCAERN CCOc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116833103 395847157 /nfs/dbraw/zinc/84/71/57/395847157.db2.gz POFBWSLUJGTCLI-LBPRGKRZSA-N 0 0 312.391 0.849 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000225452187 395860811 /nfs/dbraw/zinc/86/08/11/395860811.db2.gz XLOVAUNMYVJQRU-NWDGAFQWSA-N 0 0 315.395 0.385 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000116904589 395849432 /nfs/dbraw/zinc/84/94/32/395849432.db2.gz KDRADXQZQDSROR-JTQLQIEISA-N 0 0 322.383 0.138 10 0 DCAERN CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1CCOC ZINC000117305782 395852053 /nfs/dbraw/zinc/85/20/53/395852053.db2.gz BAHVHAJEHAZBRE-CYBMUJFWSA-N 0 0 324.425 0.920 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000117522799 395853357 /nfs/dbraw/zinc/85/33/57/395853357.db2.gz UQGAGBLFHPSFQY-GFCCVEGCSA-N 0 0 323.368 0.943 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](C)OC)cc1 ZINC000223849791 395856586 /nfs/dbraw/zinc/85/65/86/395856586.db2.gz JUXJKOFVFWVZQG-SNVBAGLBSA-N 0 0 301.364 0.715 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCS(=O)CC3)cnc2n1 ZINC000108896551 395794643 /nfs/dbraw/zinc/79/46/43/395794643.db2.gz AWNJLEMLFJTFNL-UHFFFAOYSA-N 0 0 305.359 0.848 10 0 DCAERN COCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000109136216 395796213 /nfs/dbraw/zinc/79/62/13/395796213.db2.gz PCERSHFPKXCVJR-ZDUSSCGKSA-N 0 0 314.407 0.252 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1ccnn1C ZINC000234581405 395889512 /nfs/dbraw/zinc/88/95/12/395889512.db2.gz HDJUEFTVGODINS-MNOVXSKESA-N 0 0 301.368 0.181 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1cscn1 ZINC000234586029 395889552 /nfs/dbraw/zinc/88/95/52/395889552.db2.gz YHGLFXZCWYRLNE-UWVGGRQHSA-N 0 0 304.393 0.904 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000123125128 395891984 /nfs/dbraw/zinc/89/19/84/395891984.db2.gz SMPNRKBFAYQPPF-WBMJQRKESA-N 0 0 320.393 0.995 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCC(C(=O)N(C)C)CC2)n1 ZINC000054043045 395892672 /nfs/dbraw/zinc/89/26/72/395892672.db2.gz ICLPTPSAGAGPLB-UHFFFAOYSA-N 0 0 302.382 0.976 10 0 DCAERN CC(C)N(C)C(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054867988 395907696 /nfs/dbraw/zinc/90/76/96/395907696.db2.gz AZNPWJBCCRMRDS-ZDUSSCGKSA-N 0 0 310.442 0.138 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCN1CC(F)F ZINC000125979818 395908048 /nfs/dbraw/zinc/90/80/48/395908048.db2.gz ZSWIHUGTZULLLD-SNVBAGLBSA-N 0 0 314.336 0.915 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC(=O)N[C@H](C)COC ZINC000245479420 395930676 /nfs/dbraw/zinc/93/06/76/395930676.db2.gz WIMZWHXCPVRXMM-CHWSQXEVSA-N 0 0 314.430 0.263 10 0 DCAERN Cc1ccc(-c2nc(C(=O)NC(C(N)=O)C(N)=O)cs2)cc1 ZINC000055274893 395915625 /nfs/dbraw/zinc/91/56/25/395915625.db2.gz ZXTVURLRSGPYSS-UHFFFAOYSA-N 0 0 318.358 0.188 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000127883364 395916724 /nfs/dbraw/zinc/91/67/24/395916724.db2.gz QXHORYDLIMMNHH-NSHDSACASA-N 0 0 300.384 0.068 10 0 DCAERN CCCNC(=O)CN(CCC)CCn1nc2ccccn2c1=O ZINC000052247251 395861894 /nfs/dbraw/zinc/86/18/94/395861894.db2.gz KDDXHVOQUWKCNM-UHFFFAOYSA-N 0 0 319.409 0.734 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000118719923 395863714 /nfs/dbraw/zinc/86/37/14/395863714.db2.gz LXCFZYGQKDPQRW-RKDXNWHRSA-N 0 0 306.409 0.302 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC(=O)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000225921793 395864424 /nfs/dbraw/zinc/86/44/24/395864424.db2.gz ACVIRZGAHBBGQV-GFCCVEGCSA-N 0 0 323.349 0.916 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2CO)cc1 ZINC000227142855 395867890 /nfs/dbraw/zinc/86/78/90/395867890.db2.gz XEAFBSJOYJXIHS-GWCFXTLKSA-N 0 0 312.391 0.438 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000119515758 395872566 /nfs/dbraw/zinc/87/25/66/395872566.db2.gz HTFXFUJGUJEDQG-LBPRGKRZSA-N 0 0 319.336 0.769 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1CCN(CCO)CC1 ZINC000052876540 395872667 /nfs/dbraw/zinc/87/26/67/395872667.db2.gz RYQSSEQULRTXSK-UHFFFAOYSA-N 0 0 305.422 0.645 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000119808938 395876319 /nfs/dbraw/zinc/87/63/19/395876319.db2.gz VIMLYTIQSCPAPW-LBPRGKRZSA-N 0 0 322.434 0.734 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1c1nncn1C ZINC000120122188 395881285 /nfs/dbraw/zinc/88/12/85/395881285.db2.gz OMPMYPQTBYYIIL-WDEREUQCSA-N 0 0 323.422 0.790 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@H](C)C1 ZINC000272357825 395886338 /nfs/dbraw/zinc/88/63/38/395886338.db2.gz RQRRFCAVRKUIAG-GFCCVEGCSA-N 0 0 313.361 0.960 10 0 DCAERN CC1(CNC(=O)N2CCN(c3ncc(F)cn3)CC2)COC1 ZINC000273623253 395934707 /nfs/dbraw/zinc/93/47/07/395934707.db2.gz DXNXBVUTFGUTKM-UHFFFAOYSA-N 0 0 309.345 0.484 10 0 DCAERN CCNC(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000135054945 395937359 /nfs/dbraw/zinc/93/73/59/395937359.db2.gz FRRYCERMVNULMU-INIZCTEOSA-N 0 0 321.421 0.911 10 0 DCAERN Cn1c(CCCNC(=O)[C@H]2CNC(=O)C2)nc2ccccc21 ZINC000135139526 395938271 /nfs/dbraw/zinc/93/82/71/395938271.db2.gz CTJOLQFOFSZCSI-LLVKDONJSA-N 0 0 300.362 0.758 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456166 395998894 /nfs/dbraw/zinc/99/88/94/395998894.db2.gz NUHQUORKTORYEJ-MGPLVRAMSA-N 0 0 319.361 0.138 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456159 395999166 /nfs/dbraw/zinc/99/91/66/395999166.db2.gz NUHQUORKTORYEJ-HWPZZCPQSA-N 0 0 319.361 0.138 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294534 395946208 /nfs/dbraw/zinc/94/62/08/395946208.db2.gz BGGHOOKJOCWDHZ-NWDGAFQWSA-N 0 0 310.423 0.734 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000274436750 395948514 /nfs/dbraw/zinc/94/85/14/395948514.db2.gz FZZBOWFKJHWLMO-SNVBAGLBSA-N 0 0 300.384 0.144 10 0 DCAERN CN1CCO[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537404 395951921 /nfs/dbraw/zinc/95/19/21/395951921.db2.gz HLPJAGLFVTTZPK-JKSUJKDBSA-N 0 0 303.406 0.927 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2nncs2)C[C@H]1N1CCOCC1 ZINC000246625186 395954492 /nfs/dbraw/zinc/95/44/92/395954492.db2.gz ZAWKMDDCTZHXEI-WDEREUQCSA-N 0 0 311.411 0.129 10 0 DCAERN CCc1nsc(N2CCCN([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246638112 395954843 /nfs/dbraw/zinc/95/48/43/395954843.db2.gz BUSFLHVDRVWSLB-JTQLQIEISA-N 0 0 323.422 0.370 10 0 DCAERN CN1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)CC1 ZINC000060866110 395964964 /nfs/dbraw/zinc/96/49/64/395964964.db2.gz MFHWRKORXWFQAY-UHFFFAOYSA-N 0 0 300.362 0.250 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150738887 395971874 /nfs/dbraw/zinc/97/18/74/395971874.db2.gz UTCHLVRYYWDWDE-LLVKDONJSA-N 0 0 317.345 0.798 10 0 DCAERN Cc1cccc(O[C@@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150738878 395972013 /nfs/dbraw/zinc/97/20/13/395972013.db2.gz UTCHLVRYYWDWDE-NSHDSACASA-N 0 0 317.345 0.798 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCO[C@@H]3CCOC3)c2n1 ZINC000150854294 395974289 /nfs/dbraw/zinc/97/42/89/395974289.db2.gz IHCPGNMGWFANBZ-GFCCVEGCSA-N 0 0 304.350 0.963 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)COC ZINC000151144224 395980133 /nfs/dbraw/zinc/98/01/33/395980133.db2.gz CJGOZYCJRZSVIW-RYUDHWBXSA-N 0 0 306.428 0.732 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000248491652 395989043 /nfs/dbraw/zinc/98/90/43/395989043.db2.gz OBMQMZWISQDBES-IHRRRGAJSA-N 0 0 321.425 0.801 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC000276378811 395991104 /nfs/dbraw/zinc/99/11/04/395991104.db2.gz LGQKZUDUPVBILP-SBMIAAHKSA-N 0 0 306.318 0.792 10 0 DCAERN O=C(NCCCO)[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000065404417 395993422 /nfs/dbraw/zinc/99/34/22/395993422.db2.gz RJNLBLCVAGGZCW-NSHDSACASA-N 0 0 303.366 0.673 10 0 DCAERN CCN1C[C@H](C(=O)Nc2cnn(-c3ncccn3)c2)CC1=O ZINC000151909810 395995931 /nfs/dbraw/zinc/99/59/31/395995931.db2.gz JPXYSZHDTIYSEU-SNVBAGLBSA-N 0 0 300.322 0.469 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1C[C@H](CO)O[C@@H](C)C1)c1ccccc1 ZINC000248790761 395997037 /nfs/dbraw/zinc/99/70/37/395997037.db2.gz SGQVZYHRIQIUIT-APHBMKBZSA-N 0 0 320.389 0.862 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 ZINC000276703576 396022338 /nfs/dbraw/zinc/02/23/38/396022338.db2.gz PGUCVCDAOSOQKK-QWHCGFSZSA-N 0 0 306.366 0.622 10 0 DCAERN C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000153283209 396023098 /nfs/dbraw/zinc/02/30/98/396023098.db2.gz GQDBZTHVBCDNSH-UPJWGTAASA-N 0 0 311.382 0.721 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153400930 396023868 /nfs/dbraw/zinc/02/38/68/396023868.db2.gz ZGUBCUOFCNGHCX-NWDGAFQWSA-N 0 0 316.423 0.327 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153401125 396024031 /nfs/dbraw/zinc/02/40/31/396024031.db2.gz ZGUBCUOFCNGHCX-VXGBXAGGSA-N 0 0 316.423 0.327 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252672877 396024209 /nfs/dbraw/zinc/02/42/09/396024209.db2.gz DNSUGJFAQQFMRH-IJLUTSLNSA-N 0 0 304.412 0.704 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[C@H]1CCOC1 ZINC000276844098 396031975 /nfs/dbraw/zinc/03/19/75/396031975.db2.gz YZQOEJYBQFLUIR-IHRRRGAJSA-N 0 0 321.425 0.843 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154125341 396032234 /nfs/dbraw/zinc/03/22/34/396032234.db2.gz QLICWMHVYGPNQD-HNNXBMFYSA-N 0 0 322.405 0.492 10 0 DCAERN COc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154134226 396032463 /nfs/dbraw/zinc/03/24/63/396032463.db2.gz OHWLYDBZMXWNCE-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000154252834 396035101 /nfs/dbraw/zinc/03/51/01/396035101.db2.gz OFWLQCHBGIFNAT-CYBMUJFWSA-N 0 0 319.340 0.856 10 0 DCAERN NC(=O)C1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000068012414 396042439 /nfs/dbraw/zinc/04/24/39/396042439.db2.gz IBIDFLNEXXCAEP-OTTFEQOBSA-N 0 0 321.421 0.938 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000155264594 396048755 /nfs/dbraw/zinc/04/87/55/396048755.db2.gz WBDCJFOFWIPLPB-UTLUCORTSA-N 0 0 318.420 0.590 10 0 DCAERN CC(C)(CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1F ZINC000155300781 396049465 /nfs/dbraw/zinc/04/94/65/396049465.db2.gz BSMHELWROGMMQE-NSHDSACASA-N 0 0 307.325 0.818 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261615110 396049516 /nfs/dbraw/zinc/04/95/16/396049516.db2.gz COEVDNMVFGHODO-LBPRGKRZSA-N 0 0 307.379 0.448 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155442124 396051616 /nfs/dbraw/zinc/05/16/16/396051616.db2.gz ONCYUQYSGOBYIN-CQSZACIVSA-N 0 0 324.446 0.773 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155448981 396051732 /nfs/dbraw/zinc/05/17/32/396051732.db2.gz YIVPGNZFSHSJMM-SNVBAGLBSA-N 0 0 308.386 0.152 10 0 DCAERN C[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CCS1(=O)=O ZINC000155471887 396052670 /nfs/dbraw/zinc/05/26/70/396052670.db2.gz ABVPRAFWGXCWLD-GFCCVEGCSA-N 0 0 306.391 0.886 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CNc2ccc3c(c2)COC3)C1 ZINC000155655465 396055623 /nfs/dbraw/zinc/05/56/23/396055623.db2.gz LNZCWPQHPDDSCK-NSHDSACASA-N 0 0 303.362 0.853 10 0 DCAERN C[C@@H](C(=O)N1CCCCCC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000155633622 396055889 /nfs/dbraw/zinc/05/58/89/396055889.db2.gz QZPFSDAYWLKKPM-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1cn2c(cccc2C)n1 ZINC000155777906 396057259 /nfs/dbraw/zinc/05/72/59/396057259.db2.gz BIBZNILYENSADR-CQSZACIVSA-N 0 0 316.361 0.506 10 0 DCAERN CCOCCNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000155976177 396060297 /nfs/dbraw/zinc/06/02/97/396060297.db2.gz ZHCBJJDMEIDXGV-UHFFFAOYSA-N 0 0 310.398 0.801 10 0 DCAERN CS(=O)(=O)CCN(C(=O)[C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000156116143 396061038 /nfs/dbraw/zinc/06/10/38/396061038.db2.gz CPIPBBFOTATELV-NSHDSACASA-N 0 0 311.407 0.865 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCc3nnc4n3CCC4)c2n1 ZINC000068759797 396062866 /nfs/dbraw/zinc/06/28/66/396062866.db2.gz AKLPONISDLVPPV-UHFFFAOYSA-N 0 0 311.349 0.548 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@H](C)CN3CCCC3=O)c2n1 ZINC000068756876 396063086 /nfs/dbraw/zinc/06/30/86/396063086.db2.gz OVUJYMFGXQNQJO-NSHDSACASA-N 0 0 301.350 0.778 10 0 DCAERN O=S1(=O)CC[C@@H](c2nnc(I)o2)C1 ZINC000157928181 396064100 /nfs/dbraw/zinc/06/41/00/396064100.db2.gz GJYFEFOEVLXRPN-SCSAIBSYSA-N 0 0 314.104 0.576 10 0 DCAERN Cn1nccc1C1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000159305488 396067660 /nfs/dbraw/zinc/06/76/60/396067660.db2.gz QLYCDKZWRBYFEH-LBPRGKRZSA-N 0 0 313.423 0.966 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CC(=O)NC)[C@H]1Oc1ccccc1 ZINC000249121203 396003112 /nfs/dbraw/zinc/00/31/12/396003112.db2.gz HFFOZNRJUQASNR-XJKCOSOUSA-N 0 0 306.362 0.864 10 0 DCAERN C[C@H](CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)N1CCCCC1=O ZINC000249159246 396003843 /nfs/dbraw/zinc/00/38/43/396003843.db2.gz YANFVUKDRXEQJJ-UPJWGTAASA-N 0 0 309.410 0.938 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccccc2Br)C1 ZINC000276544216 396009288 /nfs/dbraw/zinc/00/92/88/396009288.db2.gz WTSZGRXUNJAOMC-GFCCVEGCSA-N 0 0 313.151 0.511 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000250539539 396015292 /nfs/dbraw/zinc/01/52/92/396015292.db2.gz MWNAQHBPHNUSQI-DRZSPHRISA-N 0 0 301.408 0.980 10 0 DCAERN COCCCN(C)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000066871285 396015471 /nfs/dbraw/zinc/01/54/71/396015471.db2.gz HBRCSNPMZPVJOI-UHFFFAOYSA-N 0 0 321.420 0.747 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C)c1 ZINC000152788997 396016206 /nfs/dbraw/zinc/01/62/06/396016206.db2.gz FPDLLBZHHVYZAD-JTQLQIEISA-N 0 0 302.400 0.642 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000276659260 396018954 /nfs/dbraw/zinc/01/89/54/396018954.db2.gz MKJSYKKBZOPTJM-VXGBXAGGSA-N 0 0 317.393 0.508 10 0 DCAERN CN[C@H](C(=O)NCCNC(=O)c1ccccc1)c1cnn(C)c1 ZINC000262052082 396093656 /nfs/dbraw/zinc/09/36/56/396093656.db2.gz HMGNZNCCXNAEMU-AWEZNQCLSA-N 0 0 315.377 0.227 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000170606200 396095227 /nfs/dbraw/zinc/09/52/27/396095227.db2.gz TVCCRIQDUQBDLP-SOGBHIHOSA-N 0 0 304.346 0.547 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000170606199 396095319 /nfs/dbraw/zinc/09/53/19/396095319.db2.gz TVCCRIQDUQBDLP-PXUDHTSWSA-N 0 0 304.346 0.547 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](n2cncn2)C1 ZINC000170896438 396100400 /nfs/dbraw/zinc/10/04/00/396100400.db2.gz WLEJNPWSCKUOKE-CQSZACIVSA-N 0 0 313.361 0.872 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)n1 ZINC000262210817 396111523 /nfs/dbraw/zinc/11/15/23/396111523.db2.gz IURNJKHBHMTAHS-DFBGVHRSSA-N 0 0 321.425 0.510 10 0 DCAERN COc1ccc(COCCCNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000171247221 396111596 /nfs/dbraw/zinc/11/15/96/396111596.db2.gz XWZOQJSFFVMZJP-ZDUSSCGKSA-N 0 0 306.362 0.854 10 0 DCAERN CCOc1ccnc(N2CCN([C@H](CC)C(=O)OC)CC2)n1 ZINC000171632198 396120439 /nfs/dbraw/zinc/12/04/39/396120439.db2.gz HUGTWCICTVLGSJ-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000171654127 396121797 /nfs/dbraw/zinc/12/17/97/396121797.db2.gz IXCAOZXSTBQCOT-NSHDSACASA-N 0 0 324.406 0.449 10 0 DCAERN COc1cccc([C@H](C)N2CCN(CC(=O)NC(N)=O)CC2)c1 ZINC000171706992 396122628 /nfs/dbraw/zinc/12/26/28/396122628.db2.gz UYGQCXSAPKRGQL-LBPRGKRZSA-N 0 0 320.393 0.569 10 0 DCAERN Cc1cc(C)c(CCNC(=O)CN2CC(=O)NC2=O)c(C)c1 ZINC000171864809 396126827 /nfs/dbraw/zinc/12/68/27/396126827.db2.gz WDNDOIRFMDYDKV-UHFFFAOYSA-N 0 0 303.362 0.822 10 0 DCAERN CCNS(=O)(=O)NCCc1csc(N2CCCC2)n1 ZINC000172387237 396131292 /nfs/dbraw/zinc/13/12/92/396131292.db2.gz ANDVVRJLZGHPRF-UHFFFAOYSA-N 0 0 304.441 0.730 10 0 DCAERN O=C(CN(C[C@H]1CCCO1)C(=O)c1cnns1)N1CCCC1 ZINC000072534245 396131488 /nfs/dbraw/zinc/13/14/88/396131488.db2.gz OHBNHSRTAJSTPO-LLVKDONJSA-N 0 0 324.406 0.782 10 0 DCAERN O=S(=O)(CCN1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000173934389 396137198 /nfs/dbraw/zinc/13/71/98/396137198.db2.gz MATIIGDKXPEDFW-HNNXBMFYSA-N 0 0 324.446 0.867 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCC1(O)CCOCC1 ZINC000162651089 396083315 /nfs/dbraw/zinc/08/33/15/396083315.db2.gz DTJSEBHQKUHMLV-UHFFFAOYSA-N 0 0 314.407 0.938 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178740527 396207461 /nfs/dbraw/zinc/20/74/61/396207461.db2.gz SXBOQSAHGKRISA-CYBMUJFWSA-N 0 0 314.407 0.861 10 0 DCAERN Cc1ccc(CNC(=O)N2CCC([C@H](C)O)CC2)c(=O)n1C ZINC000278968086 396144052 /nfs/dbraw/zinc/14/40/52/396144052.db2.gz HIKNJMKKWIIDHT-LBPRGKRZSA-N 0 0 307.394 0.996 10 0 DCAERN CC1(CNC(=O)NCCn2c3ccccc3[nH]c2=O)COC1 ZINC000176496289 396156319 /nfs/dbraw/zinc/15/63/19/396156319.db2.gz LUVXSBPAWVHKJO-UHFFFAOYSA-N 0 0 304.350 0.665 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000074164855 396159084 /nfs/dbraw/zinc/15/90/84/396159084.db2.gz WGNRCLVOUWAELN-YDHLFZDLSA-N 0 0 303.362 0.896 10 0 DCAERN CS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000074873893 396173181 /nfs/dbraw/zinc/17/31/81/396173181.db2.gz DWQVRANUPVILEX-VXGBXAGGSA-N 0 0 314.411 0.711 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@H](C)CO[C@@H]3CCOC3)c2n1 ZINC000177374837 396173221 /nfs/dbraw/zinc/17/32/21/396173221.db2.gz HBQMVKSUACERCU-NWDGAFQWSA-N 0 0 304.350 0.962 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077154427 396212955 /nfs/dbraw/zinc/21/29/55/396212955.db2.gz TZHDISOTMGUPDP-STQMWFEESA-N 0 0 318.377 0.553 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1CC(F)(F)CN1)c1ccccc1F ZINC000262733999 396177115 /nfs/dbraw/zinc/17/71/15/396177115.db2.gz BXDHGNQJTATIHJ-NSHDSACASA-N 0 0 315.295 0.669 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(O)cc2)C1 ZINC000262737134 396177361 /nfs/dbraw/zinc/17/73/61/396177361.db2.gz VQNBTJMNDLIYTK-UHFFFAOYSA-N 0 0 322.361 0.825 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177606898 396179770 /nfs/dbraw/zinc/17/97/70/396179770.db2.gz FSEGKTNWRAQVBR-ZIAGYGMSSA-N 0 0 319.405 0.847 10 0 DCAERN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1C[C@@H]1C ZINC000076000703 396191185 /nfs/dbraw/zinc/19/11/85/396191185.db2.gz QUJCZFJNFAIPQW-SDBXPKJASA-N 0 0 315.377 0.902 10 0 DCAERN O=C1NCC[C@H]1N1CCN(c2ncnc3ccsc32)CC1 ZINC000178204862 396191280 /nfs/dbraw/zinc/19/12/80/396191280.db2.gz QVTTXILSAQTJEF-LLVKDONJSA-N 0 0 303.391 0.702 10 0 DCAERN CCNS(=O)(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000178860714 396212084 /nfs/dbraw/zinc/21/20/84/396212084.db2.gz HWODNOJZAUNSIQ-MNOVXSKESA-N 0 0 304.368 0.258 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000178390003 396195011 /nfs/dbraw/zinc/19/50/11/396195011.db2.gz DDAJZOODPMBTOD-GFCCVEGCSA-N 0 0 321.381 0.218 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2ccncc2)CC1 ZINC000262972063 396195647 /nfs/dbraw/zinc/19/56/47/396195647.db2.gz LXJRTKTVVJIAAG-CYBMUJFWSA-N 0 0 310.348 0.723 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2ccccn2)CC1 ZINC000263013435 396197561 /nfs/dbraw/zinc/19/75/61/396197561.db2.gz QAIMYVLQJWLCQX-CYBMUJFWSA-N 0 0 310.348 0.723 10 0 DCAERN CC[C@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CCO1 ZINC000076404950 396203285 /nfs/dbraw/zinc/20/32/85/396203285.db2.gz NMQBMDOZWYFJHT-LBPRGKRZSA-N 0 0 303.366 0.921 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCCCc1c(C)nn(C)c1C ZINC000180817777 396234722 /nfs/dbraw/zinc/23/47/22/396234722.db2.gz ZQYVQKSYOVRMQA-UHFFFAOYSA-N 0 0 316.427 0.025 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1 ZINC000180984748 396236438 /nfs/dbraw/zinc/23/64/38/396236438.db2.gz FNBYWGJORUVENY-OLZOCXBDSA-N 0 0 323.397 0.127 10 0 DCAERN COC(C)(C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181295627 396237893 /nfs/dbraw/zinc/23/78/93/396237893.db2.gz ZMNDZXULQJBACE-UHFFFAOYSA-N 0 0 317.411 0.430 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cccc2cnccc21 ZINC000181771433 396241890 /nfs/dbraw/zinc/24/18/90/396241890.db2.gz FFXLVCVYWGADLO-UHFFFAOYSA-N 0 0 324.344 0.971 10 0 DCAERN CCc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181777261 396242026 /nfs/dbraw/zinc/24/20/26/396242026.db2.gz YRTQVVLAWXTJHC-UHFFFAOYSA-N 0 0 301.350 0.986 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@H]1CCC[C@@H]1O ZINC000078497786 396246866 /nfs/dbraw/zinc/24/68/66/396246866.db2.gz RJOLQVYISIWDQE-KOLCDFICSA-N 0 0 305.338 0.572 10 0 DCAERN CN(CCCNC(=O)NCCCn1ccnn1)CC(F)(F)F ZINC000182289284 396249009 /nfs/dbraw/zinc/24/90/09/396249009.db2.gz PNOLZQTVTWLKBI-UHFFFAOYSA-N 0 0 322.335 0.852 10 0 DCAERN CO[C@@H](C)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000182961535 396257647 /nfs/dbraw/zinc/25/76/47/396257647.db2.gz DUYKGEQTYBNJRI-JTQLQIEISA-N 0 0 300.380 0.765 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NCCCn1ccnn1 ZINC000183011309 396258961 /nfs/dbraw/zinc/25/89/61/396258961.db2.gz VAPYZMTZPFGDKL-UHFFFAOYSA-N 0 0 312.337 0.003 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CC(=O)N(C)[C@H](C)C3)cc12 ZINC000282062892 396259863 /nfs/dbraw/zinc/25/98/63/396259863.db2.gz BEQPXYBMTAAPOA-SECBINFHSA-N 0 0 301.350 0.579 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000264182706 396260680 /nfs/dbraw/zinc/26/06/80/396260680.db2.gz LZELIWBBXJGEGK-CYBMUJFWSA-N 0 0 301.346 0.922 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282077875 396261029 /nfs/dbraw/zinc/26/10/29/396261029.db2.gz CHCPYCYIFQTKCA-NSHDSACASA-N 0 0 313.357 0.802 10 0 DCAERN CN(C)c1nc(Cn2c(=O)onc2-c2ccncc2)ns1 ZINC000183217674 396264747 /nfs/dbraw/zinc/26/47/47/396264747.db2.gz KRSOZKOMAXTCKD-UHFFFAOYSA-N 0 0 304.335 0.864 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000079611551 396268138 /nfs/dbraw/zinc/26/81/38/396268138.db2.gz QXLUYEUMEWXFEZ-SECBINFHSA-N 0 0 301.364 0.827 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O ZINC000079664089 396269275 /nfs/dbraw/zinc/26/92/75/396269275.db2.gz NBNQWXJSABXSEP-WCQYABFASA-N 0 0 318.377 0.982 10 0 DCAERN C[C@@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)c1nccs1 ZINC000183554895 396270700 /nfs/dbraw/zinc/27/07/00/396270700.db2.gz DIIGHZDBMYAOHK-QMMMGPOBSA-N 0 0 310.379 0.693 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000282222036 396273822 /nfs/dbraw/zinc/27/38/22/396273822.db2.gz MZCSDWJYXCDGSJ-GMXVVIOVSA-N 0 0 305.382 0.586 10 0 DCAERN CNC(=O)c1ccc(N2CCN(C3=NC[C@H](C)S3)CC2)nn1 ZINC000080605903 396283186 /nfs/dbraw/zinc/28/31/86/396283186.db2.gz KBXJTJAEQFVRIF-JTQLQIEISA-N 0 0 320.422 0.450 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(F)c(C)c1 ZINC000183784017 396274622 /nfs/dbraw/zinc/27/46/22/396274622.db2.gz DBVODMFHOCIVQA-ZWNOBZJWSA-N 0 0 308.309 0.601 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCCOC3)CC2)ncn1 ZINC000183815293 396275971 /nfs/dbraw/zinc/27/59/71/396275971.db2.gz SIWPSNNZVFOXDF-LBPRGKRZSA-N 0 0 306.366 0.560 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183842004 396276010 /nfs/dbraw/zinc/27/60/10/396276010.db2.gz PRVCSBCCNSESOQ-NEPJUHHUSA-N 0 0 306.366 0.559 10 0 DCAERN COC(=O)c1coc(C(=O)NCCNC(=O)c2ccco2)c1 ZINC000183926566 396278167 /nfs/dbraw/zinc/27/81/67/396278167.db2.gz HXTOARCBYYSSOJ-UHFFFAOYSA-N 0 0 306.274 0.819 10 0 DCAERN COCCC1(CNS(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000178921410 396214509 /nfs/dbraw/zinc/21/45/09/396214509.db2.gz QPYMOXPKDHTETD-UHFFFAOYSA-N 0 0 312.391 0.881 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000178924416 396215396 /nfs/dbraw/zinc/21/53/96/396215396.db2.gz WKNIZIDAVNZEBX-NWDGAFQWSA-N 0 0 312.414 0.492 10 0 DCAERN CC(C)CC[C@@](C)(O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000077235157 396215609 /nfs/dbraw/zinc/21/56/09/396215609.db2.gz BIZYWSNANBUKRH-OAHLLOKOSA-N 0 0 323.397 0.559 10 0 DCAERN O=C(c1cccc(N[C@@H]2CCNC2=O)c1)N1CCC[C@H](O)C1 ZINC000179044804 396219352 /nfs/dbraw/zinc/21/93/52/396219352.db2.gz KSEFJPMHBJKYNZ-UONOGXRCSA-N 0 0 303.362 0.584 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000179415394 396226471 /nfs/dbraw/zinc/22/64/71/396226471.db2.gz FURYYBJTQHJPJO-MRVPVSSYSA-N 0 0 302.318 0.727 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000179438589 396226509 /nfs/dbraw/zinc/22/65/09/396226509.db2.gz OFJKKZHGZPYYJM-UHFFFAOYSA-N 0 0 323.397 0.831 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000179710820 396229013 /nfs/dbraw/zinc/22/90/13/396229013.db2.gz WMTINRJMEBUPKC-ZJUUUORDSA-N 0 0 306.370 0.660 10 0 DCAERN Cn1cc(-c2cc(Cn3ccnc3S(C)(=O)=O)on2)cn1 ZINC000184015484 396280772 /nfs/dbraw/zinc/28/07/72/396280772.db2.gz FQMFACXJWXKXAH-UHFFFAOYSA-N 0 0 307.335 0.723 10 0 DCAERN CC(C)[C@@H](NC[C@@H](O)CN1CCOCC1)c1nc(C2CC2)no1 ZINC000179813841 396230160 /nfs/dbraw/zinc/23/01/60/396230160.db2.gz DUUIIVDFJPSUFR-ZIAGYGMSSA-N 0 0 324.425 0.927 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cnc21 ZINC000184996256 396313196 /nfs/dbraw/zinc/31/31/96/396313196.db2.gz CLCKDDDAIANBAN-PSASIEDQSA-N 0 0 302.338 0.137 10 0 DCAERN COC[C@@](C)(NCc1cc(-c2cnn(C)c2)no1)C(=O)OC ZINC000185045906 396315162 /nfs/dbraw/zinc/31/51/62/396315162.db2.gz FKOSINLRTIMRRD-CQSZACIVSA-N 0 0 308.338 0.743 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC(=O)N1C ZINC000282426365 396289663 /nfs/dbraw/zinc/28/96/63/396289663.db2.gz QRNNPEKQCCSPAC-VIFPVBQESA-N 0 0 315.329 0.215 10 0 DCAERN CC(C)(C)C(=O)N1CCCN(c2ccc(C(N)=O)nn2)CC1 ZINC000080978700 396290840 /nfs/dbraw/zinc/29/08/40/396290840.db2.gz RAGLOOQXIRDRTO-UHFFFAOYSA-N 0 0 305.382 0.660 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184355735 396292065 /nfs/dbraw/zinc/29/20/65/396292065.db2.gz QCIBHGWZOAXGOI-JTQLQIEISA-N 0 0 324.406 0.760 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184399069 396294466 /nfs/dbraw/zinc/29/44/66/396294466.db2.gz MXIZJZSQTADGHQ-INIZCTEOSA-N 0 0 320.393 0.849 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1(C)C ZINC000081242244 396295242 /nfs/dbraw/zinc/29/52/42/396295242.db2.gz WEQZTLZFSXQPGX-GFCCVEGCSA-N 0 0 309.410 0.713 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)C(=O)N(C)C ZINC000184462686 396295996 /nfs/dbraw/zinc/29/59/96/396295996.db2.gz NJBXBTYAHATOIF-SNVBAGLBSA-N 0 0 324.406 0.583 10 0 DCAERN CC(C)c1nnc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185162206 396320068 /nfs/dbraw/zinc/32/00/68/396320068.db2.gz KGLGYRPPRAPZGT-BDAKNGLRSA-N 0 0 300.384 0.028 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000184877857 396309569 /nfs/dbraw/zinc/30/95/69/396309569.db2.gz HOVURZYOKSEPBZ-UHFFFAOYSA-N 0 0 318.377 0.807 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(C)nc2)C1 ZINC000185412783 396327580 /nfs/dbraw/zinc/32/75/80/396327580.db2.gz IAWXGVIUSAILFB-UHFFFAOYSA-N 0 0 306.366 0.089 10 0 DCAERN COC(=O)C1(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000185361764 396325780 /nfs/dbraw/zinc/32/57/80/396325780.db2.gz IUHQFLALGNQSPJ-SNVBAGLBSA-N 0 0 306.366 0.786 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)cc21 ZINC000185494102 396328855 /nfs/dbraw/zinc/32/88/55/396328855.db2.gz PBNNTEWBGRPMGU-DGCLKSJQSA-N 0 0 313.361 0.852 10 0 DCAERN O=C(CCNC(=O)c1cccs1)N1CCO[C@]2(CCOC2)C1 ZINC000186060917 396340078 /nfs/dbraw/zinc/34/00/78/396340078.db2.gz RKPFTIYDEGNGRM-OAHLLOKOSA-N 0 0 324.402 0.886 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000185748796 396334576 /nfs/dbraw/zinc/33/45/76/396334576.db2.gz TWXBIEPGTSBLQC-GFCCVEGCSA-N 0 0 316.716 0.946 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cncnc1N1CCCC1 ZINC000186233863 396345656 /nfs/dbraw/zinc/34/56/56/396345656.db2.gz DNWUCYYCHQQPEH-UHFFFAOYSA-N 0 0 314.349 0.767 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000284841003 396346793 /nfs/dbraw/zinc/34/67/93/396346793.db2.gz DBODHIFOVPDZTO-RHSMWYFYSA-N 0 0 302.374 0.945 10 0 DCAERN CNC(=O)NC(=O)CCN1CCN(c2cccs2)C(=O)C1 ZINC000186063973 396340797 /nfs/dbraw/zinc/34/07/97/396340797.db2.gz QYRDYMKWFWUVOU-UHFFFAOYSA-N 0 0 310.379 0.242 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN(C)CC(=O)NC(C)(C)C ZINC000186165423 396343289 /nfs/dbraw/zinc/34/32/89/396343289.db2.gz CILYYRFZFAJJLG-UHFFFAOYSA-N 0 0 310.398 0.943 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000186185623 396343645 /nfs/dbraw/zinc/34/36/45/396343645.db2.gz BYFGIQWNJBGFJX-WDEREUQCSA-N 0 0 308.382 0.683 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000187803874 396374295 /nfs/dbraw/zinc/37/42/95/396374295.db2.gz DTLVFMAJNXFBFY-SNVBAGLBSA-N 0 0 310.375 0.684 10 0 DCAERN COc1ccc(-n2nnc(C(=O)N3CC(CO)C3)c2C)cc1 ZINC000186970342 396361019 /nfs/dbraw/zinc/36/10/19/396361019.db2.gz BCPQWFRWTXMJMF-UHFFFAOYSA-N 0 0 302.334 0.649 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(C(=O)OC)CC1 ZINC000187001535 396361739 /nfs/dbraw/zinc/36/17/39/396361739.db2.gz FUBRMHKUIFUTEQ-JTQLQIEISA-N 0 0 321.381 0.928 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000187159463 396364495 /nfs/dbraw/zinc/36/44/95/396364495.db2.gz SLIOFWKUYYCILZ-MRXNPFEDSA-N 0 0 304.346 0.678 10 0 DCAERN Cc1cc(N2CCN(CC(=O)N(C)c3nccs3)CC2)n[nH]1 ZINC000187261623 396365641 /nfs/dbraw/zinc/36/56/41/396365641.db2.gz TYDAZVQMWVCLTN-UHFFFAOYSA-N 0 0 320.422 0.960 10 0 DCAERN CCCCCN(CCO)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187245095 396365644 /nfs/dbraw/zinc/36/56/44/396365644.db2.gz HIXQOQOSILBRTC-UHFFFAOYSA-N 0 0 304.350 0.943 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)Cc2cc(C)on2)[C@@H](C)C1 ZINC000268665001 396365778 /nfs/dbraw/zinc/36/57/78/396365778.db2.gz YEYWVCOTRBQYAF-VIFPVBQESA-N 0 0 301.368 0.365 10 0 DCAERN COCc1noc(CN2CCN(C(=O)C(C)(C)OC)CC2)n1 ZINC000187390161 396368941 /nfs/dbraw/zinc/36/89/41/396368941.db2.gz BDOMKZAHJGIXON-UHFFFAOYSA-N 0 0 312.370 0.285 10 0 DCAERN O=C(NC[C@]1(O)CCSC1)c1cnc(OCC2CC2)cn1 ZINC000286030888 396370091 /nfs/dbraw/zinc/37/00/91/396370091.db2.gz JENXHBDZBCVZES-CQSZACIVSA-N 0 0 309.391 0.863 10 0 DCAERN Cc1nc(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C)s1 ZINC000286046062 396371380 /nfs/dbraw/zinc/37/13/80/396371380.db2.gz BKHWGCVTZRXQBO-NEPJUHHUSA-N 0 0 308.407 0.927 10 0 DCAERN C[C@H]1OCCN(CC(=O)N(C)Cc2ccc(F)cc2)[C@@H]1C(N)=O ZINC000285159209 396348452 /nfs/dbraw/zinc/34/84/52/396348452.db2.gz LOIYYJHRWLUKAT-ABAIWWIYSA-N 0 0 323.368 0.359 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@@]34CCOC4=O)cc21 ZINC000186502205 396351011 /nfs/dbraw/zinc/35/10/11/396351011.db2.gz IIPUVBUGCRWQOV-HNNXBMFYSA-N 0 0 300.318 0.890 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285595066 396351434 /nfs/dbraw/zinc/35/14/34/396351434.db2.gz RBEPZVRHCZFZEJ-NKFCBESUSA-N 0 0 320.345 0.054 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000285739694 396352268 /nfs/dbraw/zinc/35/22/68/396352268.db2.gz YUJAYPJZBHSNJX-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000188585317 396383738 /nfs/dbraw/zinc/38/37/38/396383738.db2.gz ZOXNTLKSASTIRC-LLVKDONJSA-N 0 0 313.361 0.923 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2cn3ccnc3s2)C[C@@H](C)O1 ZINC000188659480 396384222 /nfs/dbraw/zinc/38/42/22/396384222.db2.gz VTGQGONSNHJODJ-RKDXNWHRSA-N 0 0 309.347 0.798 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1CCO ZINC000188811004 396387051 /nfs/dbraw/zinc/38/70/51/396387051.db2.gz SUCXXLISESWGTH-ZIAGYGMSSA-N 0 0 323.437 0.303 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188814712 396387365 /nfs/dbraw/zinc/38/73/65/396387365.db2.gz SLKWFGHWLCLFOE-NSHDSACASA-N 0 0 324.425 0.601 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000188902571 396388353 /nfs/dbraw/zinc/38/83/53/396388353.db2.gz WQZMZJYKBOQBHT-SNVBAGLBSA-N 0 0 303.362 0.604 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000188930658 396388455 /nfs/dbraw/zinc/38/84/55/396388455.db2.gz AUUSJDUEHJZRES-ZETCQYMHSA-N 0 0 302.281 0.372 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCC(c2ccnn2CCO)CC1 ZINC000188995800 396389876 /nfs/dbraw/zinc/38/98/76/396389876.db2.gz VVKAFDJVFKSGAX-NSHDSACASA-N 0 0 305.386 0.340 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)no1 ZINC000193083775 396443541 /nfs/dbraw/zinc/44/35/41/396443541.db2.gz MMVAPSSIDIUALI-UHFFFAOYSA-N 0 0 322.394 0.738 10 0 DCAERN CCCn1cc(C(=O)N2CCCN(CCOC)C(=O)C2)cn1 ZINC000189064783 396390633 /nfs/dbraw/zinc/39/06/33/396390633.db2.gz FGFAFTFLHNCXBR-UHFFFAOYSA-N 0 0 308.382 0.614 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000189142121 396391323 /nfs/dbraw/zinc/39/13/23/396391323.db2.gz ALVLDDUNVMUSCF-XNRPHZJLSA-N 0 0 320.389 0.860 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN1c1nccs1 ZINC000189232726 396391713 /nfs/dbraw/zinc/39/17/13/396391713.db2.gz ZGNITRDZDONRFT-MNOVXSKESA-N 0 0 308.407 0.849 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405533 396393003 /nfs/dbraw/zinc/39/30/03/396393003.db2.gz OATLFUKHLJFDGS-HUUCEWRRSA-N 0 0 308.353 0.863 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCc3nc(C)no3)CC2)n[nH]1 ZINC000189754254 396398152 /nfs/dbraw/zinc/39/81/52/396398152.db2.gz ODGSYCBJUIHXGC-UHFFFAOYSA-N 0 0 304.354 0.691 10 0 DCAERN CN1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1=O ZINC000189750901 396398263 /nfs/dbraw/zinc/39/82/63/396398263.db2.gz UDAGQTINUBTGLN-UHFFFAOYSA-N 0 0 316.404 0.456 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)n[nH]1 ZINC000189741112 396398379 /nfs/dbraw/zinc/39/83/79/396398379.db2.gz SLRJWVSUAYTUSU-LBPRGKRZSA-N 0 0 320.397 0.157 10 0 DCAERN CN1CCCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1=O ZINC000189759978 396398495 /nfs/dbraw/zinc/39/84/95/396398495.db2.gz CPIYRVLJECXRHZ-CYBMUJFWSA-N 0 0 302.330 0.459 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189770733 396398974 /nfs/dbraw/zinc/39/89/74/396398974.db2.gz IFIDTKFZFXUOKD-UHFFFAOYSA-N 0 0 307.398 0.673 10 0 DCAERN CN1CCCN(C(=O)c2cccc(C[S@@](C)=O)c2)CC1=O ZINC000189779973 396399587 /nfs/dbraw/zinc/39/95/87/396399587.db2.gz VHXGOJFTYQCIED-OAQYLSRUSA-N 0 0 308.403 0.869 10 0 DCAERN COCCn1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000189924927 396401067 /nfs/dbraw/zinc/40/10/67/396401067.db2.gz OBZHHDOGPWMMPU-ZDUSSCGKSA-N 0 0 308.382 0.076 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1n[nH]c2c1CCCCC2 ZINC000190101421 396402352 /nfs/dbraw/zinc/40/23/52/396402352.db2.gz RIOLFZUZFOFDFA-LBPRGKRZSA-N 0 0 322.409 0.102 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000190232976 396403496 /nfs/dbraw/zinc/40/34/96/396403496.db2.gz GUSHWQZBSXYVGR-KGLIPLIRSA-N 0 0 305.382 0.897 10 0 DCAERN COCCCN(C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000190472215 396406351 /nfs/dbraw/zinc/40/63/51/396406351.db2.gz OTHSRYHDRHPHSZ-AWEZNQCLSA-N 0 0 305.378 0.987 10 0 DCAERN CCc1nc(C2CCN(Cc3nc(N)nc(N)n3)CC2)n[nH]1 ZINC000190683040 396410603 /nfs/dbraw/zinc/41/06/03/396410603.db2.gz RDQJERGIASOIPI-UHFFFAOYSA-N 0 0 303.374 0.096 10 0 DCAERN CCn1cc([C@@H]2CN(CCCN3CCOCC3)CCO2)cn1 ZINC000190791858 396411971 /nfs/dbraw/zinc/41/19/71/396411971.db2.gz FKWLAWCRRVKNOE-INIZCTEOSA-N 0 0 308.426 0.999 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000191042213 396414467 /nfs/dbraw/zinc/41/44/67/396414467.db2.gz QUBGYUNJZJITQI-UHFFFAOYSA-N 0 0 309.753 0.969 10 0 DCAERN COc1ccccc1CCNC(=O)CN1CCCN(C)C(=O)C1 ZINC000191064264 396414694 /nfs/dbraw/zinc/41/46/94/396414694.db2.gz FMNGNCQQPBQQFG-UHFFFAOYSA-N 0 0 319.405 0.518 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc2[nH]1 ZINC000191097270 396415024 /nfs/dbraw/zinc/41/50/24/396415024.db2.gz XSMCLSFELHCAKP-UHFFFAOYSA-N 0 0 322.390 0.325 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000193170084 396445048 /nfs/dbraw/zinc/44/50/48/396445048.db2.gz FVHDNVOHULBLKA-SNVBAGLBSA-N 0 0 324.768 0.719 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169593 396416939 /nfs/dbraw/zinc/41/69/39/396416939.db2.gz XEFKMUJXNGTTDI-HCKVZZMMSA-N 0 0 316.361 0.796 10 0 DCAERN COc1ccnc(NC2CCN(C(=O)C3CC(=O)C3)CC2)n1 ZINC000191382994 396418817 /nfs/dbraw/zinc/41/88/17/396418817.db2.gz QJRHXPGCOKZSJE-UHFFFAOYSA-N 0 0 304.350 0.867 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)N[C@H](CF)C3=O)C2)n(C)n1 ZINC000287798802 396424178 /nfs/dbraw/zinc/42/41/78/396424178.db2.gz TZIXVJRHZFXGJO-WDEREUQCSA-N 0 0 309.345 0.587 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000269560721 396424808 /nfs/dbraw/zinc/42/48/08/396424808.db2.gz KQWAVHYRFGTMSB-GFCCVEGCSA-N 0 0 304.302 0.189 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000191920731 396427114 /nfs/dbraw/zinc/42/71/14/396427114.db2.gz HJGDMOKCWLEPMV-OAHLLOKOSA-N 0 0 304.346 0.770 10 0 DCAERN Cc1nnc([C@@H]2CN([C@@H](C)c3nnnn3C3CC3)CCO2)[nH]1 ZINC000192045638 396429441 /nfs/dbraw/zinc/42/94/41/396429441.db2.gz DODONDIPZHXABD-KWQFWETISA-N 0 0 304.358 0.569 10 0 DCAERN CC(=O)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000192476261 396431368 /nfs/dbraw/zinc/43/13/68/396431368.db2.gz YHKWFAUUQVPICB-VXGBXAGGSA-N 0 0 320.393 0.448 10 0 DCAERN CC[C@H](C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(OC)cc1 ZINC000192571863 396433133 /nfs/dbraw/zinc/43/31/33/396433133.db2.gz MNXSGDDOJDSIFK-KBPBESRZSA-N 0 0 306.362 0.902 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(-c2ccco2)on1 ZINC000192707610 396436088 /nfs/dbraw/zinc/43/60/88/396436088.db2.gz GWUIYKAOVCLDDS-LLVKDONJSA-N 0 0 321.333 0.358 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000192855275 396438716 /nfs/dbraw/zinc/43/87/16/396438716.db2.gz QSEHXRIJXDGXTD-CYBMUJFWSA-N 0 0 305.444 0.227 10 0 DCAERN CO[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC[C@@H]1C ZINC000187892252 396375793 /nfs/dbraw/zinc/37/57/93/396375793.db2.gz BBEPBCHYNUUODR-WDEREUQCSA-N 0 0 318.381 0.673 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014881 396377908 /nfs/dbraw/zinc/37/79/08/396377908.db2.gz CNZASJZADPTQHB-UHFFFAOYSA-N 0 0 319.336 0.891 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188082435 396378384 /nfs/dbraw/zinc/37/83/84/396378384.db2.gz BNSOPIDPJOEVTH-NWDGAFQWSA-N 0 0 306.362 0.683 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000286166907 396378727 /nfs/dbraw/zinc/37/87/27/396378727.db2.gz OKXIRCJEYKWWNS-CYBMUJFWSA-N 0 0 319.409 0.891 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188088872 396378929 /nfs/dbraw/zinc/37/89/29/396378929.db2.gz FMXSESIFMYEMGY-UHFFFAOYSA-N 0 0 305.382 0.414 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)Nc2cn(C)nc2C2CC2)CC1 ZINC000291752665 396510923 /nfs/dbraw/zinc/51/09/23/396510923.db2.gz CIIPRHXPRYEZMW-LLVKDONJSA-N 0 0 319.409 0.789 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000193257422 396447769 /nfs/dbraw/zinc/44/77/69/396447769.db2.gz XUCUAJLNDNJNAJ-SSDOTTSWSA-N 0 0 316.155 0.670 10 0 DCAERN Cn1nnc(CN[C@@H](CO)c2cccc(Br)c2)n1 ZINC000193480067 396451940 /nfs/dbraw/zinc/45/19/40/396451940.db2.gz XSRUMUHXCDETER-JTQLQIEISA-N 0 0 312.171 0.796 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000372390221 396513712 /nfs/dbraw/zinc/51/37/12/396513712.db2.gz RNBRXGJDZTUEMW-CDGCEXEKSA-N 0 0 322.409 0.990 10 0 DCAERN CC1(C)CN(C(=O)Cn2cc(N[C@@H]3CCOC3)cn2)CCO1 ZINC000372391716 396513853 /nfs/dbraw/zinc/51/38/53/396513853.db2.gz NMHDFPXJLDAIBP-GFCCVEGCSA-N 0 0 308.382 0.721 10 0 DCAERN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1cn[nH]c1 ZINC000270176224 396462375 /nfs/dbraw/zinc/46/23/75/396462375.db2.gz CDVMVRLZBVCOPM-AAEUAGOBSA-N 0 0 321.381 0.504 10 0 DCAERN O=C(NCc1nnc2ccccn21)c1cnc2c(c1)NC(=O)CO2 ZINC000371462916 396467659 /nfs/dbraw/zinc/46/76/59/396467659.db2.gz GHEBJPPKHWLPIM-UHFFFAOYSA-N 0 0 324.300 0.385 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCC[C@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000371812485 396477312 /nfs/dbraw/zinc/47/73/12/396477312.db2.gz HTJWNJXMCICCNR-IJLUTSLNSA-N 0 0 323.393 0.517 10 0 DCAERN CN(Cc1ccccc1F)C(=O)CN1CCN2CCOC[C@H]2C1 ZINC000371817332 396477598 /nfs/dbraw/zinc/47/75/98/396477598.db2.gz VSPHWAGSQUXNNU-OAHLLOKOSA-N 0 0 321.396 0.801 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371828526 396477918 /nfs/dbraw/zinc/47/79/18/396477918.db2.gz JJDOSORBHOIGKE-AWEZNQCLSA-N 0 0 318.377 0.595 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371835505 396478134 /nfs/dbraw/zinc/47/81/34/396478134.db2.gz TYICNQYXNWUZKQ-CYBMUJFWSA-N 0 0 321.352 0.616 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000580098105 396488211 /nfs/dbraw/zinc/48/82/11/396488211.db2.gz LBBYKNVIWYFUCE-UHFFFAOYSA-N 0 0 301.350 0.543 10 0 DCAERN O=C(NCC1CCCCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000580103047 396488430 /nfs/dbraw/zinc/48/84/30/396488430.db2.gz WFLKKXAQTBVNIM-MRXNPFEDSA-N 0 0 310.394 0.701 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000372465882 396519645 /nfs/dbraw/zinc/51/96/45/396519645.db2.gz SKAYIPNLZGJGBY-QWRGUYRKSA-N 0 0 304.394 0.985 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@]23CCOC3=O)C1 ZINC000372475253 396520248 /nfs/dbraw/zinc/52/02/48/396520248.db2.gz STCVTHUKTDHHHN-XHDPSFHLSA-N 0 0 324.381 0.281 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594853718 396528702 /nfs/dbraw/zinc/52/87/02/396528702.db2.gz WHPBOQHSAXIBJE-WOPDTQHZSA-N 0 0 304.412 0.752 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(-n2cncn2)cc1 ZINC000372646775 396533923 /nfs/dbraw/zinc/53/39/23/396533923.db2.gz CSVUFOUCRPAPCO-CABCVRRESA-N 0 0 316.361 0.766 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC(C3N=NC(=O)O3)CC2)O1 ZINC000527550682 396540200 /nfs/dbraw/zinc/54/02/00/396540200.db2.gz ADIXQGMEOCHVNX-MWLCHTKSSA-N 0 0 310.354 0.200 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000373064964 396563324 /nfs/dbraw/zinc/56/33/24/396563324.db2.gz CMOACVAKPXKKCO-UYKLKCEZSA-N 0 0 304.437 0.135 10 0 DCAERN CC[C@@H]1CCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000292694144 396564059 /nfs/dbraw/zinc/56/40/59/396564059.db2.gz QHNKYPFSRJUZME-QWHCGFSZSA-N 0 0 319.409 0.943 10 0 DCAERN CN(C)c1nc(CN2C[C@](C)(CO)[C@](C)(CO)C2)ns1 ZINC000528749876 396564176 /nfs/dbraw/zinc/56/41/76/396564176.db2.gz DIOIPYCJWQCBRX-BETUJISGSA-N 0 0 300.428 0.417 10 0 DCAERN CN(C)C(=O)CCCC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000530571328 396577860 /nfs/dbraw/zinc/57/78/60/396577860.db2.gz ADNNKIZTASYANJ-JTQLQIEISA-N 0 0 309.332 0.998 10 0 DCAERN NC(=O)C1(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCC1 ZINC000530636333 396579508 /nfs/dbraw/zinc/57/95/08/396579508.db2.gz FUEVMRLNQYSNAM-UHFFFAOYSA-N 0 0 321.421 0.893 10 0 DCAERN CCn1nc(C)c(C(=O)N[C@@H](CC(N)=O)c2ccccc2)n1 ZINC000293927811 396642731 /nfs/dbraw/zinc/64/27/31/396642731.db2.gz FVAYTYLWQYDOSJ-LBPRGKRZSA-N 0 0 301.350 0.953 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000374197300 396646458 /nfs/dbraw/zinc/64/64/58/396646458.db2.gz GERRCVSXERHJAN-FMKGYKFTSA-N 0 0 322.409 0.306 10 0 DCAERN Cc1cnn(CCC(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000585733721 396651296 /nfs/dbraw/zinc/65/12/96/396651296.db2.gz GJHYVGUKKRGSGL-UHFFFAOYSA-N 0 0 314.411 0.123 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374262561 396651729 /nfs/dbraw/zinc/65/17/29/396651729.db2.gz KXCAELADYCYUBG-WFASDCNBSA-N 0 0 317.389 0.771 10 0 DCAERN O=c1[nH]ncc(NCCCN2CCCS2(=O)=O)c1Cl ZINC000585744860 396652135 /nfs/dbraw/zinc/65/21/35/396652135.db2.gz DZDUNEGNUMKXOS-UHFFFAOYSA-N 0 0 306.775 0.673 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000562272730 396654537 /nfs/dbraw/zinc/65/45/37/396654537.db2.gz IAYLLYVQSLRMMI-GXFFZTMASA-N 0 0 310.398 0.553 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC1(CO)Cc2ccccc2C1 ZINC000373437041 396591289 /nfs/dbraw/zinc/59/12/89/396591289.db2.gz YIKFEWXJSDCEQG-CQSZACIVSA-N 0 0 320.414 0.554 10 0 DCAERN Cc1nccc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1 ZINC000373637312 396604328 /nfs/dbraw/zinc/60/43/28/396604328.db2.gz KPTFMGXIRZZJHE-UHFFFAOYSA-N 0 0 304.375 0.995 10 0 DCAERN CC1(C)CN(c2cncc(OCCO)n2)C[C@]2(CCOC2)O1 ZINC000373684609 396607331 /nfs/dbraw/zinc/60/73/31/396607331.db2.gz RYHWZYFXZSLNBW-HNNXBMFYSA-N 0 0 309.366 0.622 10 0 DCAERN COCC(C)(C)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000293640456 396622349 /nfs/dbraw/zinc/62/23/49/396622349.db2.gz GCDLVGJFLIHJHE-UHFFFAOYSA-N 0 0 320.393 0.420 10 0 DCAERN CO[C@H](C)CCNC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000584808549 396625819 /nfs/dbraw/zinc/62/58/19/396625819.db2.gz VQPFSFUTVNTBJC-LLVKDONJSA-N 0 0 311.386 0.630 10 0 DCAERN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016956 396628179 /nfs/dbraw/zinc/62/81/79/396628179.db2.gz ZIDCVVGIPNESDZ-WCQYABFASA-N 0 0 316.361 0.892 10 0 DCAERN CC(C)(C)OC(=O)N1CCC[C@](C[C@@H](O)C[NH3+])(C(=O)[O-])C1 ZINC000584880887 396631686 /nfs/dbraw/zinc/63/16/86/396631686.db2.gz JTHFVRKGLLRPQH-QMTHXVAHSA-N 0 0 302.371 0.798 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000374099692 396638882 /nfs/dbraw/zinc/63/88/82/396638882.db2.gz BBTRZAINSFIRKT-XZBVAUNFSA-N 0 0 324.421 0.807 10 0 DCAERN CC(C)C(=O)c1cnccc1NC(=O)CN1CCOCC1=O ZINC000562508953 396667795 /nfs/dbraw/zinc/66/77/95/396667795.db2.gz VPHJNHDBRZAWHC-UHFFFAOYSA-N 0 0 305.334 0.140 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2CCn3cc(C)nc3C2)CC1 ZINC000374646432 396678449 /nfs/dbraw/zinc/67/84/49/396678449.db2.gz LEJYINMATUQDLT-ZDUSSCGKSA-N 0 0 319.409 0.086 10 0 DCAERN O=S(=O)([C@@H]1CCCN(Cc2cc[nH]n2)C1)N1CCOCC1 ZINC000374811534 396689167 /nfs/dbraw/zinc/68/91/67/396689167.db2.gz YFWFCXBQEJCSND-CYBMUJFWSA-N 0 0 314.411 0.036 10 0 DCAERN CO[C@@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)c1cnn(C)c1 ZINC000374926031 396698730 /nfs/dbraw/zinc/69/87/30/396698730.db2.gz GNXXEAGQYLUJMX-CQSZACIVSA-N 0 0 319.336 0.977 10 0 DCAERN COc1ccc(OCC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000374968355 396702323 /nfs/dbraw/zinc/70/23/23/396702323.db2.gz CHTIJIDHTHGHSG-CYBMUJFWSA-N 0 0 306.362 0.617 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000303092377 396725140 /nfs/dbraw/zinc/72/51/40/396725140.db2.gz XPYOUQWJEDFCDC-MEDUHNTESA-N 0 0 317.345 0.402 10 0 DCAERN CC(=O)c1cccc(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC000617710221 396782625 /nfs/dbraw/zinc/78/26/25/396782625.db2.gz IFOKVJKYXDBFAA-INIZCTEOSA-N 0 0 307.346 0.787 10 0 DCAERN O=C(c1cnn2ccncc12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000314652076 396784499 /nfs/dbraw/zinc/78/44/99/396784499.db2.gz XFXCTOVHEVTYCE-NSHDSACASA-N 0 0 300.240 0.869 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@@H](CC(N)=O)C2)c(C)nc1C ZINC000629393407 396738036 /nfs/dbraw/zinc/73/80/36/396738036.db2.gz BFCRRUDIQXWNOD-LBPRGKRZSA-N 0 0 319.361 0.617 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000375461169 396750570 /nfs/dbraw/zinc/75/05/70/396750570.db2.gz RJBQBSOENUZAHD-GFCCVEGCSA-N 0 0 321.425 0.479 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610701333 396751351 /nfs/dbraw/zinc/75/13/51/396751351.db2.gz AJSGGORYBVUWII-GHMZBOCLSA-N 0 0 300.380 0.914 10 0 DCAERN NC(=O)CN1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000306184470 396753882 /nfs/dbraw/zinc/75/38/82/396753882.db2.gz PRSONPDELFMZJV-NTSWFWBYSA-N 0 0 312.005 0.910 10 0 DCAERN C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000375479034 396754827 /nfs/dbraw/zinc/75/48/27/396754827.db2.gz WWHFKRWBXLFNLX-NHYWBVRUSA-N 0 0 322.413 0.552 10 0 DCAERN CCOC(=O)c1cc(NC(=O)N[C@@](C)(CO)COC)cn1C ZINC000610730977 396755585 /nfs/dbraw/zinc/75/55/85/396755585.db2.gz HCAFFQUQXQBAEJ-AWEZNQCLSA-N 0 0 313.354 0.721 10 0 DCAERN CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCCc2cccnc21 ZINC000375496527 396759271 /nfs/dbraw/zinc/75/92/71/396759271.db2.gz PSONLBCKKZLJSW-LLVKDONJSA-N 0 0 302.334 0.469 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000590356234 396761869 /nfs/dbraw/zinc/76/18/69/396761869.db2.gz TUVQJGKSWVDHIU-MRXNPFEDSA-N 0 0 317.345 0.611 10 0 DCAERN C[C@@H]1C(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C(=O)N1C ZINC000629504437 396773848 /nfs/dbraw/zinc/77/38/48/396773848.db2.gz YDRJEDBSUNVTPX-TZMCWYRMSA-N 0 0 318.377 0.565 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1c1nccn1C ZINC000328626774 396825491 /nfs/dbraw/zinc/82/54/91/396825491.db2.gz MCETYMWCIQMUCS-CHWSQXEVSA-N 0 0 317.397 0.478 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)C[C@H]3CCCCO3)C1)C2 ZINC000328629797 396826084 /nfs/dbraw/zinc/82/60/84/396826084.db2.gz IRAZVHBPCHBKLQ-CQSZACIVSA-N 0 0 319.409 0.572 10 0 DCAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)CN1CSCC1=O ZINC000328635183 396826441 /nfs/dbraw/zinc/82/64/41/396826441.db2.gz UQPMPAMUFGAQPB-LLVKDONJSA-N 0 0 308.407 0.437 10 0 DCAERN Cc1cccc2nc(C(=O)N3CCc4c(ncn(C)c4=O)C3)cn21 ZINC000328633647 396826670 /nfs/dbraw/zinc/82/66/70/396826670.db2.gz SSBFHWYTSKNKQK-UHFFFAOYSA-N 0 0 323.356 0.935 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)CCCOC(C)C)C1)C2 ZINC000328635808 396827225 /nfs/dbraw/zinc/82/72/25/396827225.db2.gz NPQRSWHSIUOPBG-UHFFFAOYSA-N 0 0 321.425 0.818 10 0 DCAERN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(n2ccnn2)C1 ZINC000376051452 396868325 /nfs/dbraw/zinc/86/83/25/396868325.db2.gz WWOUHVZSZPVWEY-JTQLQIEISA-N 0 0 309.370 0.822 10 0 DCAERN O=C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328701320 396830429 /nfs/dbraw/zinc/83/04/29/396830429.db2.gz WOUKFAMTUHSNBN-LXTVHRRPSA-N 0 0 310.394 0.256 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329056852 396837816 /nfs/dbraw/zinc/83/78/16/396837816.db2.gz YCYMZZLZUVZUEK-FZMZJTMJSA-N 0 0 319.409 0.769 10 0 DCAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000329082389 396838364 /nfs/dbraw/zinc/83/83/64/396838364.db2.gz SENCLJYPXBNPQQ-GDJPEOAQSA-N 0 0 301.408 0.849 10 0 DCAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2S(=O)(=O)[C@H]1CCCOC1 ZINC000329083015 396838395 /nfs/dbraw/zinc/83/83/95/396838395.db2.gz SOINCDAERCDMQF-XNBXPENISA-N 0 0 301.408 0.850 10 0 DCAERN CC(=O)c1cn(CC(=O)NCc2cccc3c2CCOC3)nn1 ZINC000634320732 396841271 /nfs/dbraw/zinc/84/12/71/396841271.db2.gz VKLKPRRJUYCHON-UHFFFAOYSA-N 0 0 314.345 0.870 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)[C@H]1CCOC1 ZINC000625344871 396842549 /nfs/dbraw/zinc/84/25/49/396842549.db2.gz CIYHWGROQONUFX-NSHDSACASA-N 0 0 313.398 0.043 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000625377020 396852220 /nfs/dbraw/zinc/85/22/20/396852220.db2.gz QRWKNCMRFZFXMU-KFWWJZLASA-N 0 0 321.421 0.620 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NC2CN(c3ccncn3)C2)C1 ZINC000634450493 396852856 /nfs/dbraw/zinc/85/28/56/396852856.db2.gz WLWKSSQWHHRXSU-GFCCVEGCSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(S(=O)(=O)[C@@H]1CCCOC1)CCO2 ZINC000330117915 396854474 /nfs/dbraw/zinc/85/44/74/396854474.db2.gz XRECWTDHRUXRDA-YNEHKIRRSA-N 0 0 305.396 0.375 10 0 DCAERN CC(=O)c1ncc(C(=O)NC2CN(c3ccncn3)C2)s1 ZINC000634454794 396856528 /nfs/dbraw/zinc/85/65/28/396856528.db2.gz IZJSMGUBAJRSES-UHFFFAOYSA-N 0 0 303.347 0.754 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000591173374 396883515 /nfs/dbraw/zinc/88/35/15/396883515.db2.gz KUDCRPSENSBLPY-WCBMZHEXSA-N 0 0 324.410 0.226 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629924984 396887690 /nfs/dbraw/zinc/88/76/90/396887690.db2.gz OOUXWOKTFIHVFK-BBRMVZONSA-N 0 0 307.394 0.515 10 0 DCAERN CN(C[C@H]1CCC[C@@H]1O)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332820836 396895313 /nfs/dbraw/zinc/89/53/13/396895313.db2.gz AQBUHSNRKQUVTG-XQHKEYJVSA-N 0 0 309.370 0.020 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376344178 396915289 /nfs/dbraw/zinc/91/52/89/396915289.db2.gz ONNVMLAPFYIGTG-OLZOCXBDSA-N 0 0 315.439 0.660 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000376416677 396925278 /nfs/dbraw/zinc/92/52/78/396925278.db2.gz SPFCSJCKPAZLQL-QCNOEVLYSA-N 0 0 315.391 0.221 10 0 DCAERN O=C(COCc1ccccc1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000630018249 396921641 /nfs/dbraw/zinc/92/16/41/396921641.db2.gz YXHXYPCCWSATDD-ZIAGYGMSSA-N 0 0 302.334 0.239 10 0 DCAERN COC(=O)C[C@@H]1COCCN1CCNC(=O)OC(C)(C)C ZINC000376533454 396942382 /nfs/dbraw/zinc/94/23/82/396942382.db2.gz RMDPIDVLJWWFFU-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN c1cc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)n[nH]1 ZINC000611904390 396946328 /nfs/dbraw/zinc/94/63/28/396946328.db2.gz NDHYYWBJSNAVGN-NSHDSACASA-N 0 0 304.354 0.684 10 0 DCAERN CCOC1CC(C(=O)N2CCN([C@@H]3CCCCNC3=O)CC2)C1 ZINC000376681930 396962046 /nfs/dbraw/zinc/96/20/46/396962046.db2.gz SLRAJVFYTIEVMT-YMAMQOFZSA-N 0 0 323.437 0.614 10 0 DCAERN CC(C)n1nccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618675639 397009285 /nfs/dbraw/zinc/00/92/85/397009285.db2.gz HSASOUYFRWYULZ-LLVKDONJSA-N 0 0 314.411 0.570 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677026 397010260 /nfs/dbraw/zinc/01/02/60/397010260.db2.gz ZVTGKQSAMADQQI-SNVBAGLBSA-N 0 0 313.379 0.202 10 0 DCAERN CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)on1 ZINC000618678814 397011362 /nfs/dbraw/zinc/01/13/62/397011362.db2.gz OFAXWIKLHJJXGK-SNVBAGLBSA-N 0 0 315.395 0.904 10 0 DCAERN O=C(CNC(=O)N1CCn2c(nnc2C2CC2)C1)N1CCCC1 ZINC000601230541 397026851 /nfs/dbraw/zinc/02/68/51/397026851.db2.gz FDDJEHAICOPYDY-UHFFFAOYSA-N 0 0 318.381 0.303 10 0 DCAERN COCCc1ccnc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000376744510 396971836 /nfs/dbraw/zinc/97/18/36/396971836.db2.gz UNBKMCUFRZTCKJ-AWEZNQCLSA-N 0 0 320.393 0.819 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(C)C(=O)C1)CC2 ZINC000377297697 397063310 /nfs/dbraw/zinc/06/33/10/397063310.db2.gz KVQCXQQZMSMAQP-NSHDSACASA-N 0 0 304.394 0.939 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H](CC(N)=O)C1 ZINC000626079461 397070934 /nfs/dbraw/zinc/07/09/34/397070934.db2.gz HFJNMVHHMIVYNC-GFCCVEGCSA-N 0 0 319.361 0.404 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000572313072 397046022 /nfs/dbraw/zinc/04/60/22/397046022.db2.gz SLRDJMRRYVPVCO-UHFFFAOYSA-N 0 0 305.382 0.489 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000630575528 397050556 /nfs/dbraw/zinc/05/05/56/397050556.db2.gz OMFHJVDIGVLQSC-CQSZACIVSA-N 0 0 319.405 0.817 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000618982430 397051314 /nfs/dbraw/zinc/05/13/14/397051314.db2.gz LGYBVFYYZOZZST-CYBMUJFWSA-N 0 0 315.377 0.239 10 0 DCAERN C[S@@](=O)c1ccc(CC(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000619551932 397147880 /nfs/dbraw/zinc/14/78/80/397147880.db2.gz ZPQMGBGXYOSEEC-JOCHJYFZSA-N 0 0 320.414 0.800 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CCC[C@@H](O)C2)CC1=O ZINC000378017852 397179397 /nfs/dbraw/zinc/17/93/97/397179397.db2.gz JQZGHLGARFOGTQ-KSTCHIGDSA-N 0 0 309.410 0.846 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CCC[C@H](O)C2)CC1=O ZINC000378017853 397179806 /nfs/dbraw/zinc/17/98/06/397179806.db2.gz JQZGHLGARFOGTQ-POQQGIQPSA-N 0 0 309.410 0.846 10 0 DCAERN CCN1CC[C@H](NC(=O)Cc2ccc([S@](C)=O)cc2)C1=O ZINC000619825115 397197856 /nfs/dbraw/zinc/19/78/56/397197856.db2.gz HTJAFLDJLWUQDP-ZSEKCTLFSA-N 0 0 308.403 0.704 10 0 DCAERN CCN1CC[C@@H](NC(=O)Cc2ccc([S@](C)=O)cc2)C1=O ZINC000619825112 397197898 /nfs/dbraw/zinc/19/78/98/397197898.db2.gz HTJAFLDJLWUQDP-ASSNKEHSSA-N 0 0 308.403 0.704 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCN2C(=O)CCC2=O)no1 ZINC000574263764 397249231 /nfs/dbraw/zinc/24/92/31/397249231.db2.gz ULHMOZMXUSLNJN-UHFFFAOYSA-N 0 0 323.353 0.315 10 0 DCAERN Cc1cc(C(=O)NCc2nnn(C)n2)c(C)n1[C@@H]1CCCOC1 ZINC000626702375 397223512 /nfs/dbraw/zinc/22/35/12/397223512.db2.gz JJWFABRJCVIMMR-GFCCVEGCSA-N 0 0 318.381 0.910 10 0 DCAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCN2CCOC[C@@H]2C1 ZINC000364594928 397225186 /nfs/dbraw/zinc/22/51/86/397225186.db2.gz XWMXREOQAWIEJU-ZFWWWQNUSA-N 0 0 316.361 0.118 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC(F)(F)C[C@H]1CO ZINC000364603945 397225244 /nfs/dbraw/zinc/22/52/44/397225244.db2.gz TUGZLTQFJCGJCY-NSHDSACASA-N 0 0 323.303 0.569 10 0 DCAERN NC(=O)[C@]1(O)CCN(c2ncc(Br)cc2F)C1 ZINC000379747634 397268581 /nfs/dbraw/zinc/26/85/81/397268581.db2.gz DMOSJMPXKLKHJE-JTQLQIEISA-N 0 0 304.119 0.410 10 0 DCAERN COC[C@@](C)(O)CNc1ncc(I)cn1 ZINC000380310437 397269852 /nfs/dbraw/zinc/26/98/52/397269852.db2.gz GVZLNFIHWIYYRH-VIFPVBQESA-N 0 0 323.134 0.891 10 0 DCAERN CCNC(=O)N1CC[C@@H](N2C(=O)[C@H]3CCCCCN3C2=O)C1 ZINC000365354320 397270073 /nfs/dbraw/zinc/27/00/73/397270073.db2.gz JRUZNDJAJGFGEB-VXGBXAGGSA-N 0 0 308.382 0.997 10 0 DCAERN CCOC(=O)c1csc(CN2C[C@@H](OC)C[C@H]2CO)n1 ZINC000381085127 397270511 /nfs/dbraw/zinc/27/05/11/397270511.db2.gz VTVQMWMIHDWJQM-UWVGGRQHSA-N 0 0 300.380 0.901 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1COCC1(C)C ZINC000384756706 397281059 /nfs/dbraw/zinc/28/10/59/397281059.db2.gz SNTXFNYCEFLZHX-UHFFFAOYSA-N 0 0 306.365 0.687 10 0 DCAERN CS[C@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000365463971 397284333 /nfs/dbraw/zinc/28/43/33/397284333.db2.gz MGGVXLGNQTVWQN-ZDEQEGDKSA-N 0 0 300.424 0.759 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000398577104 397313530 /nfs/dbraw/zinc/31/35/30/397313530.db2.gz RIFHROWOISHXMP-SWHYSGLUSA-N 0 0 300.424 0.964 10 0 DCAERN Cc1cccc([C@@H]2C(=O)NCCN2C(=O)Cc2ccn(C)n2)c1 ZINC000620355022 397262690 /nfs/dbraw/zinc/26/26/90/397262690.db2.gz YNUWUAWJNOFDDP-MRXNPFEDSA-N 0 0 312.373 0.971 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000407951589 397333586 /nfs/dbraw/zinc/33/35/86/397333586.db2.gz CGLZWTRRFCZRHX-SRVKXCTJSA-N 0 0 319.427 0.120 10 0 DCAERN O=C(NCc1nnnn1-c1ccccc1)c1cn2cccnc2n1 ZINC000593160985 397334434 /nfs/dbraw/zinc/33/44/34/397334434.db2.gz FUBZGSWMBMPLDP-UHFFFAOYSA-N 0 0 320.316 0.635 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)[nH]1 ZINC000407952285 397334549 /nfs/dbraw/zinc/33/45/49/397334549.db2.gz SEJQBRWZQKJZEH-LBPRGKRZSA-N 0 0 318.381 0.238 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)O1 ZINC000407956494 397336298 /nfs/dbraw/zinc/33/62/98/397336298.db2.gz JERGWUMHFBNHDD-VHSXEESVSA-N 0 0 305.400 0.016 10 0 DCAERN C[C@H](CN1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076147 397337460 /nfs/dbraw/zinc/33/74/60/397337460.db2.gz XUNZTECICQYMFI-CHWSQXEVSA-N 0 0 305.440 0.937 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CCO2)n1 ZINC000407968876 397341607 /nfs/dbraw/zinc/34/16/07/397341607.db2.gz VCLLFSNSTUCZIE-LWWSYDQCSA-N 0 0 322.409 0.936 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000408129912 397348114 /nfs/dbraw/zinc/34/81/14/397348114.db2.gz SKKKPUNJYYVTEN-KXUCPTDWSA-N 0 0 307.316 0.735 10 0 DCAERN O=C(NC1CCS(=O)CC1)[C@H]1COCCN1C1CCCC1 ZINC000408154673 397348173 /nfs/dbraw/zinc/34/81/73/397348173.db2.gz MISCGNNKUPZYCF-CURUXHCOSA-N 0 0 314.451 0.657 10 0 DCAERN O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000408281949 397351613 /nfs/dbraw/zinc/35/16/13/397351613.db2.gz XTLRNVOSJFPRFH-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389267 397355708 /nfs/dbraw/zinc/35/57/08/397355708.db2.gz ZYFPLWYBSGJURD-WCBMZHEXSA-N 0 0 307.803 0.998 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389212 397355896 /nfs/dbraw/zinc/35/58/96/397355896.db2.gz ZJOBAMKUSBYBMF-SECBINFHSA-N 0 0 320.802 0.363 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408461661 397357729 /nfs/dbraw/zinc/35/77/29/397357729.db2.gz WGIFLLZGSXMNEJ-SDDRHHMPSA-N 0 0 304.412 0.484 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN[C@H]3C2)s1 ZINC000404173730 397327989 /nfs/dbraw/zinc/32/79/89/397327989.db2.gz WVQIFFFSNCFYQB-QWRGUYRKSA-N 0 0 302.421 0.808 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)C1 ZINC000621578867 397400548 /nfs/dbraw/zinc/40/05/48/397400548.db2.gz LQBDRVMDALYENP-JMJZKYOTSA-N 0 0 323.315 0.968 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000367527886 397402681 /nfs/dbraw/zinc/40/26/81/397402681.db2.gz TVLBXPPDVYBDBL-RWMBFGLXSA-N 0 0 311.378 0.982 10 0 DCAERN COc1ccc(OC)c(CN2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000370322791 397470098 /nfs/dbraw/zinc/47/00/98/397470098.db2.gz DTKFTPWUTBRCIW-ZDUSSCGKSA-N 0 0 314.407 0.957 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC1CC1 ZINC000487384275 397470693 /nfs/dbraw/zinc/47/06/93/397470693.db2.gz ZJQZHKAFUYSSSW-NXEZZACHSA-N 0 0 320.411 0.162 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)C1(O)CCCCC1 ZINC000370345526 397471880 /nfs/dbraw/zinc/47/18/80/397471880.db2.gz ODPXZPOYRRRVMI-CYBMUJFWSA-N 0 0 310.394 0.578 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1OC ZINC000488321512 397489539 /nfs/dbraw/zinc/48/95/39/397489539.db2.gz PZCOTRMFWUAFIE-WDEREUQCSA-N 0 0 322.361 0.881 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NCCOCCO)cc21 ZINC000489525618 397496973 /nfs/dbraw/zinc/49/69/73/397496973.db2.gz AKJNOJFNPFXEIQ-UHFFFAOYSA-N 0 0 305.334 0.669 10 0 DCAERN COC(=O)c1oc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1C ZINC000370499879 397494105 /nfs/dbraw/zinc/49/41/05/397494105.db2.gz OKSNEWZAVCNOLJ-HNNXBMFYSA-N 0 0 321.333 0.549 10 0 DCAERN CCCCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000492153162 397514715 /nfs/dbraw/zinc/51/47/15/397514715.db2.gz PWCRILMSJMIJJS-QWRGUYRKSA-N 0 0 301.387 0.932 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000578908112 397501787 /nfs/dbraw/zinc/50/17/87/397501787.db2.gz SHJSJHZTAQTUEE-UHFFFAOYSA-N 0 0 323.418 0.748 10 0 DCAERN Cn1cnc(CCNC(=O)NC[C@](C)(O)C2CCCCC2)n1 ZINC000578937409 397502885 /nfs/dbraw/zinc/50/28/85/397502885.db2.gz CCTKKSRHGZTMCN-HNNXBMFYSA-N 0 0 309.414 0.988 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000370943281 397527299 /nfs/dbraw/zinc/52/72/99/397527299.db2.gz WVYHMWAQDDWEHI-INIZCTEOSA-N 0 0 316.401 0.891 10 0 DCAERN O=C(Cc1ccccc1)NCC(=O)N1CCSC[C@H]1CCO ZINC000494943427 397535064 /nfs/dbraw/zinc/53/50/64/397535064.db2.gz WOTHIZOWRIAAFL-CQSZACIVSA-N 0 0 322.430 0.672 10 0 DCAERN Cc1nnc2ccc(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)cn12 ZINC000608219251 397721193 /nfs/dbraw/zinc/72/11/93/397721193.db2.gz KHHXQSZMRKIMNR-OASPWFOLSA-N 0 0 313.361 0.777 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000608246027 397723380 /nfs/dbraw/zinc/72/33/80/397723380.db2.gz XNOOSEZZHIBEFI-MELADBBJSA-N 0 0 308.382 0.547 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)NCCCC2CC2)C1 ZINC000605603359 397670420 /nfs/dbraw/zinc/67/04/20/397670420.db2.gz PPPOCRIPMXAQPT-GFCCVEGCSA-N 0 0 303.428 0.900 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1nnc2n1CCCCC2 ZINC000606481171 397682269 /nfs/dbraw/zinc/68/22/69/397682269.db2.gz ICVPYVWTXSNDOW-QWRGUYRKSA-N 0 0 320.397 0.595 10 0 DCAERN CNC(=O)c1ccc(N2CCC(NC(=O)C(C)C)CC2)nn1 ZINC000607723135 397705005 /nfs/dbraw/zinc/70/50/05/397705005.db2.gz RIQWRGRWTPDELR-UHFFFAOYSA-N 0 0 305.382 0.577 10 0 DCAERN CC(C)[C@@H](CCO)NC(=O)NCCCN1CCCS1(=O)=O ZINC000608664392 397742775 /nfs/dbraw/zinc/74/27/75/397742775.db2.gz NBOPQMUURIESOT-GFCCVEGCSA-N 0 0 321.443 0.118 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCOCC[C@@H]1C ZINC000367752349 285939248 /nfs/dbraw/zinc/93/92/48/285939248.db2.gz FRBNFQUODBEMAO-NWDGAFQWSA-N 0 0 320.411 0.370 10 0 DCAERN C[C@@H]1[C@H](C)N(CC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000126792278 297759844 /nfs/dbraw/zinc/75/98/44/297759844.db2.gz OAJVIZKRSLBQDN-NWDGAFQWSA-N 0 0 302.440 0.943 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284604874 286337868 /nfs/dbraw/zinc/33/78/68/286337868.db2.gz SYMQKEOBZKBEDS-HIFRSBDPSA-N 0 0 306.362 0.946 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000558538915 288447341 /nfs/dbraw/zinc/44/73/41/288447341.db2.gz RLQLEGWVFUSDMU-QONUSYMYSA-N 0 0 312.391 0.902 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000046491242 158001540 /nfs/dbraw/zinc/00/15/40/158001540.db2.gz OVZLXFODTLJTSL-RDBSUJKOSA-N 0 0 310.394 0.651 10 0 DCAERN C[C@H](NC(=O)c1cnns1)c1ccc(S(N)(=O)=O)cc1 ZINC000048607967 158006607 /nfs/dbraw/zinc/00/66/07/158006607.db2.gz FWYPVPFZXMGTOW-ZETCQYMHSA-N 0 0 312.376 0.677 10 0 DCAERN CC(C)(C)NC(=O)CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000050508937 158011690 /nfs/dbraw/zinc/01/16/90/158011690.db2.gz OSVMLJPSGVKLPB-UHFFFAOYSA-N 0 0 324.469 0.531 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(C)s1 ZINC000051164309 158013218 /nfs/dbraw/zinc/01/32/18/158013218.db2.gz AQDIOVWADOEIFH-SECBINFHSA-N 0 0 304.393 0.240 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1CCC[C@@H]1CCCO ZINC000052757817 158016762 /nfs/dbraw/zinc/01/67/62/158016762.db2.gz FVQGOKAYVSZBLY-SNVBAGLBSA-N 0 0 311.411 0.864 10 0 DCAERN CC(C)CC(=O)Nc1cccc(CNC(=O)CNC(N)=O)c1 ZINC000064422207 158033485 /nfs/dbraw/zinc/03/34/85/158033485.db2.gz GQAVWQQCMVRULQ-UHFFFAOYSA-N 0 0 306.366 0.956 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000066919052 158037814 /nfs/dbraw/zinc/03/78/14/158037814.db2.gz BGSMJXPUIWXGDE-RYUDHWBXSA-N 0 0 304.412 0.848 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)OC[C@@H]1CCCO1)N1CCOCC1 ZINC000068856197 158043474 /nfs/dbraw/zinc/04/34/74/158043474.db2.gz GNJHMXJNVZCIGA-RDBSUJKOSA-N 0 0 300.399 0.407 10 0 DCAERN CN(C)C(=O)CNc1ccccc1C(=O)N1CCC[C@H]1CO ZINC000069770151 158046410 /nfs/dbraw/zinc/04/64/10/158046410.db2.gz NHWDOVXPFLRICA-LBPRGKRZSA-N 0 0 305.378 0.784 10 0 DCAERN O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1cccnc1 ZINC000070718515 158048763 /nfs/dbraw/zinc/04/87/63/158048763.db2.gz PSAFKBPKWKHFJX-GFCCVEGCSA-N 0 0 313.313 0.976 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCCNC(=O)C1CC1)c1ccccc1 ZINC000070752066 158048776 /nfs/dbraw/zinc/04/87/76/158048776.db2.gz GYDWZQKZXDNECI-OAHLLOKOSA-N 0 0 317.389 0.896 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000071094389 158048895 /nfs/dbraw/zinc/04/88/95/158048895.db2.gz AABZGIGBLJYTFR-RTXFEEFZSA-N 0 0 310.375 0.518 10 0 DCAERN Cc1noc(COCC(=O)N2CCC(n3cncn3)CC2)n1 ZINC000072571976 158050237 /nfs/dbraw/zinc/05/02/37/158050237.db2.gz ANWLZAZFJCAHPV-UHFFFAOYSA-N 0 0 306.326 0.350 10 0 DCAERN CS(=O)(=O)CCNC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000074873895 158060959 /nfs/dbraw/zinc/06/09/59/158060959.db2.gz DWQVRANUPVILEX-NWDGAFQWSA-N 0 0 314.411 0.711 10 0 DCAERN COc1ccc([C@H]2CCCN2C(=O)CN(CCO)CCO)cc1 ZINC000075714278 158063334 /nfs/dbraw/zinc/06/33/34/158063334.db2.gz XAGACWBBTDQXLS-MRXNPFEDSA-N 0 0 322.405 0.645 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000077474473 158068076 /nfs/dbraw/zinc/06/80/76/158068076.db2.gz XWQDPVZLUHJXSG-GWCFXTLKSA-N 0 0 312.391 0.438 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)NC(C)(C)C(N)=O)C1 ZINC000078114594 158071686 /nfs/dbraw/zinc/07/16/86/158071686.db2.gz APGHNJUJKPEIHX-NSHDSACASA-N 0 0 312.414 0.444 10 0 DCAERN CNS(=O)(=O)CCCSc1nc2nc(C)cc(C)n2n1 ZINC000078447754 158072415 /nfs/dbraw/zinc/07/24/15/158072415.db2.gz OACRFBWWKRZHMG-UHFFFAOYSA-N 0 0 315.424 0.773 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079402404 158078682 /nfs/dbraw/zinc/07/86/82/158078682.db2.gz AUUPSKNUUCDOCU-NSHDSACASA-N 0 0 319.361 0.686 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCNC(=O)CC1 ZINC000080441312 158081213 /nfs/dbraw/zinc/08/12/13/158081213.db2.gz CAEYCIQJODIOSG-SNVBAGLBSA-N 0 0 307.398 0.499 10 0 DCAERN CCCCN(C)S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081073354 158082692 /nfs/dbraw/zinc/08/26/92/158082692.db2.gz NFFFOQNAPZZORH-LLVKDONJSA-N 0 0 301.416 0.988 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(CNC(C)=O)s1 ZINC000081441497 158083996 /nfs/dbraw/zinc/08/39/96/158083996.db2.gz PQRBVDSFNDMLMD-SECBINFHSA-N 0 0 311.407 0.838 10 0 DCAERN CCCNC(=O)CCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081487247 158084759 /nfs/dbraw/zinc/08/47/59/158084759.db2.gz HYSOGDBJHJMMJO-NSHDSACASA-N 0 0 311.304 0.611 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCN1CCOCC1 ZINC000083691647 158087000 /nfs/dbraw/zinc/08/70/00/158087000.db2.gz NRYPBZDOYHRXJM-ZDUSSCGKSA-N 0 0 322.413 0.443 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCCOC ZINC000088787029 158095663 /nfs/dbraw/zinc/09/56/63/158095663.db2.gz JSTDLACGPKPIHT-JTQLQIEISA-N 0 0 302.400 0.631 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089543096 158097484 /nfs/dbraw/zinc/09/74/84/158097484.db2.gz BWBYUXLTDSAKFA-QWHCGFSZSA-N 0 0 321.377 0.391 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091042939 158105894 /nfs/dbraw/zinc/10/58/94/158105894.db2.gz GTFWETVSAWUULE-JTQLQIEISA-N 0 0 303.318 0.542 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074062 158106239 /nfs/dbraw/zinc/10/62/39/158106239.db2.gz QBHOSTVEBIKNJU-CMPLNLGQSA-N 0 0 321.402 0.845 10 0 DCAERN COC(=O)[C@H](C)CN(C)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091053900 158106271 /nfs/dbraw/zinc/10/62/71/158106271.db2.gz NUCYIYADTKRPFW-LLVKDONJSA-N 0 0 317.345 0.884 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000091217096 158107985 /nfs/dbraw/zinc/10/79/85/158107985.db2.gz KXVIGZBBIHVWDX-LBPRGKRZSA-N 0 0 323.397 0.348 10 0 DCAERN Cn1cnc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000091774340 158108784 /nfs/dbraw/zinc/10/87/84/158108784.db2.gz ZIFBWDSLJHSSON-LBPRGKRZSA-N 0 0 302.338 0.573 10 0 DCAERN CCC[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092229167 158112723 /nfs/dbraw/zinc/11/27/23/158112723.db2.gz VWSWKBGFFFULGE-LSDHHAIUSA-N 0 0 319.405 0.830 10 0 DCAERN CC1CCC(N(C(=O)CN2CCOC[C@@H]2C(N)=O)C2CC2)CC1 ZINC000092421561 158113772 /nfs/dbraw/zinc/11/37/72/158113772.db2.gz KSWPEJTXDUQYIO-SSDMNJCBSA-N 0 0 323.437 0.742 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C=O)cc2)C1 ZINC000092772345 158115896 /nfs/dbraw/zinc/11/58/96/158115896.db2.gz WSCAIPCLRRWFDZ-ZDUSSCGKSA-N 0 0 310.375 0.653 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)c1c[nH]c(=O)cc1C ZINC000093024135 158116769 /nfs/dbraw/zinc/11/67/69/158116769.db2.gz CPSOUQWOMLQAHX-UHFFFAOYSA-N 0 0 304.350 0.918 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CC)CCO ZINC000094959267 158124015 /nfs/dbraw/zinc/12/40/15/158124015.db2.gz FTXNFAYYPVZMCT-QWHCGFSZSA-N 0 0 320.455 0.715 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105804500 158130675 /nfs/dbraw/zinc/13/06/75/158130675.db2.gz IMODVRVRAQEEAO-NSHDSACASA-N 0 0 320.397 0.587 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112655005 158143392 /nfs/dbraw/zinc/14/33/92/158143392.db2.gz GZPHQZXCSJVXNU-IUCAKERBSA-N 0 0 307.383 0.018 10 0 DCAERN CC(=O)NCCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114582806 158154380 /nfs/dbraw/zinc/15/43/80/158154380.db2.gz CEXZYWJBMNYKTP-AWEZNQCLSA-N 0 0 318.377 0.617 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CCCOC)CC2 ZINC000114874973 158158997 /nfs/dbraw/zinc/15/89/97/158158997.db2.gz CENHTVKDSCNOLQ-SNVBAGLBSA-N 0 0 302.400 0.111 10 0 DCAERN CCCNC(=O)CCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114871553 158159016 /nfs/dbraw/zinc/15/90/16/158159016.db2.gz VTNYXKSPJJPBSO-GFCCVEGCSA-N 0 0 321.425 0.968 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1c(C)nn(C)c1C)CC2 ZINC000114864348 158159090 /nfs/dbraw/zinc/15/90/90/158159090.db2.gz ROYFITCQOXTGRI-GFCCVEGCSA-N 0 0 316.409 0.865 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccnc1)CC2 ZINC000114874874 158159189 /nfs/dbraw/zinc/15/91/89/158159189.db2.gz PPAYCZIPIZQHCM-JTQLQIEISA-N 0 0 307.379 0.529 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)CC2 ZINC000114865309 158159247 /nfs/dbraw/zinc/15/92/47/158159247.db2.gz QRJBNVBXSISEGW-WDEREUQCSA-N 0 0 323.422 0.193 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000116831004 158167644 /nfs/dbraw/zinc/16/76/44/158167644.db2.gz QDTDXWJCMCJOEK-SECBINFHSA-N 0 0 315.420 0.784 10 0 DCAERN CCOCCN1CCN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1C ZINC000117277553 158170042 /nfs/dbraw/zinc/17/00/42/158170042.db2.gz BATWYYAOFPBWIY-ZDUSSCGKSA-N 0 0 319.405 0.968 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2nc(C)no2)C[C@@H]1C ZINC000117278849 158170229 /nfs/dbraw/zinc/17/02/29/158170229.db2.gz KTYFBPHYCZEJOA-LBPRGKRZSA-N 0 0 310.398 0.880 10 0 DCAERN Cn1cc(N2CC[C@@H](Nc3cc(=O)n4ccccc4n3)C2=O)cn1 ZINC000117867483 158174789 /nfs/dbraw/zinc/17/47/89/158174789.db2.gz BXWYASYEEIYDLA-GFCCVEGCSA-N 0 0 324.344 0.645 10 0 DCAERN C[C@H]1SCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@@H]1C ZINC000118289492 158176439 /nfs/dbraw/zinc/17/64/39/158176439.db2.gz ZLPOFONFEBNMDD-NXEZZACHSA-N 0 0 321.406 0.482 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc(C(N)=O)cs1 ZINC000118636549 158177772 /nfs/dbraw/zinc/17/77/72/158177772.db2.gz VIYPQKKOBUTQFK-SECBINFHSA-N 0 0 310.379 0.828 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1cccc(F)c1 ZINC000118759337 158179402 /nfs/dbraw/zinc/17/94/02/158179402.db2.gz JXPSDVRBVHERJG-UHFFFAOYSA-N 0 0 307.325 0.815 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000119015306 158181711 /nfs/dbraw/zinc/18/17/11/158181711.db2.gz HCPWVOIAEOVDAY-ZIAGYGMSSA-N 0 0 317.389 0.328 10 0 DCAERN CCCC(=O)NCC(=O)N(CC(N)=O)[C@H](C)c1ccccc1 ZINC000119112287 158182848 /nfs/dbraw/zinc/18/28/48/158182848.db2.gz LNUSTYGDUOGHPK-GFCCVEGCSA-N 0 0 305.378 0.978 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2cncc(C)c2)cn1 ZINC000119491401 158186884 /nfs/dbraw/zinc/18/68/84/158186884.db2.gz UWJNUAGRLMSSOI-UHFFFAOYSA-N 0 0 302.338 0.654 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000119597388 158188798 /nfs/dbraw/zinc/18/87/98/158188798.db2.gz SJTGGDMGIZGNCO-GFCCVEGCSA-N 0 0 313.423 0.636 10 0 DCAERN CO[C@@H](C)CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119907088 158191037 /nfs/dbraw/zinc/19/10/37/158191037.db2.gz MJSRCVUIGGSPRO-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000120348308 158198366 /nfs/dbraw/zinc/19/83/66/158198366.db2.gz AFKKHGNQVLIASI-OPRDCNLKSA-N 0 0 312.395 0.797 10 0 DCAERN COCCn1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC000120396183 158198370 /nfs/dbraw/zinc/19/83/70/158198370.db2.gz DZLSPUTYPYNKIC-GHMZBOCLSA-N 0 0 309.370 0.647 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](CO)C1)CC2 ZINC000120676611 158202164 /nfs/dbraw/zinc/20/21/64/158202164.db2.gz AEKHSSWDAIDWEC-NWDGAFQWSA-N 0 0 307.398 0.740 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000122102205 158219006 /nfs/dbraw/zinc/21/90/06/158219006.db2.gz JPHIGVMFQMULJU-ZYHUDNBSSA-N 0 0 306.366 0.862 10 0 DCAERN CC[C@@H](C(=O)Nc1cc(CCOC)nn1C)N1CCCC1=O ZINC000123037429 158226217 /nfs/dbraw/zinc/22/62/17/158226217.db2.gz ZKDNFORRWHBYCF-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1cccc(N(C)C)n1 ZINC000124432243 158242567 /nfs/dbraw/zinc/24/25/67/158242567.db2.gz HQNPCWXHTGWNFI-CYBMUJFWSA-N 0 0 306.366 0.011 10 0 DCAERN CCOC(CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)OCC ZINC000124722653 158246985 /nfs/dbraw/zinc/24/69/85/158246985.db2.gz TUNQESISTYIOJQ-ZDUSSCGKSA-N 0 0 320.455 0.885 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126106777 158262376 /nfs/dbraw/zinc/26/23/76/158262376.db2.gz HIHBBDKRDXPFLB-CHWSQXEVSA-N 0 0 323.422 0.438 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000126065581 158262384 /nfs/dbraw/zinc/26/23/84/158262384.db2.gz IUQONBNYCWAYOL-TZMCWYRMSA-N 0 0 305.378 0.916 10 0 DCAERN Nc1cccc2c1CCCN2C(=O)Cn1ccc(=O)[nH]c1=O ZINC000126628491 158266249 /nfs/dbraw/zinc/26/62/49/158266249.db2.gz CNJJEFHRYVLTME-UHFFFAOYSA-N 0 0 300.318 0.098 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127106924 158270067 /nfs/dbraw/zinc/27/00/67/158270067.db2.gz JGUOJCLEAHYTHB-ZIAGYGMSSA-N 0 0 310.398 0.958 10 0 DCAERN CC(C)[C@H](NC(=O)Nc1cnn(C)c1)C(=O)N1CCOCC1 ZINC000127750819 158275169 /nfs/dbraw/zinc/27/51/69/158275169.db2.gz UDNAHIQESZTDPD-LBPRGKRZSA-N 0 0 309.370 0.425 10 0 DCAERN COc1cccc(CNC(=O)c2ccnc(-n3cncn3)c2)n1 ZINC000128595352 158282553 /nfs/dbraw/zinc/28/25/53/158282553.db2.gz XZWGKPXILNHPFD-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN COc1cccc(Cl)c1C(=O)N1CCN(C(=O)CO)CC1 ZINC000128789849 158284084 /nfs/dbraw/zinc/28/40/84/158284084.db2.gz FBNGTDOPMSAUHK-UHFFFAOYSA-N 0 0 312.753 0.625 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@H](CO)CC(C)(C)C)c2=O ZINC000129230214 158286132 /nfs/dbraw/zinc/28/61/32/158286132.db2.gz XCCWFBPXOALINA-JTQLQIEISA-N 0 0 321.381 0.043 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCS(=O)CC1 ZINC000129098070 158286503 /nfs/dbraw/zinc/28/65/03/158286503.db2.gz QCLLRJSZDKETGJ-LLVKDONJSA-N 0 0 303.428 0.455 10 0 DCAERN Cc1cc([C@@H]2CN(C(=O)Cn3cnnn3)CCO2)ccc1F ZINC000129194730 158286519 /nfs/dbraw/zinc/28/65/19/158286519.db2.gz CIAHHLJHIKRQLG-ZDUSSCGKSA-N 0 0 305.313 0.721 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000129307252 158287547 /nfs/dbraw/zinc/28/75/47/158287547.db2.gz YLQLFQKXBRGZAF-AXFHLTTASA-N 0 0 322.427 0.660 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)NCCCO)n1 ZINC000130186483 158293662 /nfs/dbraw/zinc/29/36/62/158293662.db2.gz KZAROQFYDFQNPZ-UHFFFAOYSA-N 0 0 302.334 0.618 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000130958953 158299099 /nfs/dbraw/zinc/29/90/99/158299099.db2.gz QCADZBMICDJHES-GFCCVEGCSA-N 0 0 321.352 0.916 10 0 DCAERN OCCOc1cncc(NCc2cccnc2-n2cncn2)n1 ZINC000131491908 158303273 /nfs/dbraw/zinc/30/32/73/158303273.db2.gz WSZZZLAJKIWOMX-UHFFFAOYSA-N 0 0 313.321 0.436 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCc2nccc(N)n2)cc1C ZINC000131514377 158303338 /nfs/dbraw/zinc/30/33/38/158303338.db2.gz KHOREDDNTUOKEV-UHFFFAOYSA-N 0 0 313.361 0.722 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000131914053 158307117 /nfs/dbraw/zinc/30/71/17/158307117.db2.gz NVSUOOLLTVXZGN-JTQLQIEISA-N 0 0 314.411 0.064 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)N1CCCCC1 ZINC000132262969 158309398 /nfs/dbraw/zinc/30/93/98/158309398.db2.gz JDOSNZGORMNEQS-STQMWFEESA-N 0 0 304.394 0.963 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cs1 ZINC000132405275 158310350 /nfs/dbraw/zinc/31/03/50/158310350.db2.gz KCHHVWNZMCCCOL-DTWKUNHWSA-N 0 0 310.379 0.875 10 0 DCAERN Cn1cc([C@@]2(C)CN(c3ccnc(C(N)=O)c3)CCO2)cn1 ZINC000132751367 158314065 /nfs/dbraw/zinc/31/40/65/158314065.db2.gz HSNKCXXXHBVWTO-OAHLLOKOSA-N 0 0 301.350 0.666 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000133472323 158319628 /nfs/dbraw/zinc/31/96/28/158319628.db2.gz UKLLUAFDWXETCX-SDDRHHMPSA-N 0 0 306.428 0.324 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000133526234 158320727 /nfs/dbraw/zinc/32/07/27/158320727.db2.gz HWHRONKZXRFKJE-ZDUSSCGKSA-N 0 0 303.318 0.931 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCC1=O ZINC000134108162 158324847 /nfs/dbraw/zinc/32/48/47/158324847.db2.gz ADWWTBXSNNSZHQ-VXGBXAGGSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)NCc1cccnc1N(C)C ZINC000134703624 158329347 /nfs/dbraw/zinc/32/93/47/158329347.db2.gz UBGVQUQQXDCQDA-JSGCOSHPSA-N 0 0 322.409 0.829 10 0 DCAERN CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1n[nH]cc1C ZINC000134682069 158329433 /nfs/dbraw/zinc/32/94/33/158329433.db2.gz MWRGFYDHHXXWJW-VIFPVBQESA-N 0 0 320.440 0.718 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C1CCOCC1 ZINC000134883964 158331824 /nfs/dbraw/zinc/33/18/24/158331824.db2.gz JNQCJPPFUIFZPL-QWRGUYRKSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@H](NC(=O)CSc1nncn1C)c1nnc2n1CCCC2 ZINC000135267290 158334812 /nfs/dbraw/zinc/33/48/12/158334812.db2.gz VPHNTKTVGKLGIW-VIFPVBQESA-N 0 0 321.410 0.712 10 0 DCAERN C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1nnc2n1CCCC2 ZINC000135251003 158335155 /nfs/dbraw/zinc/33/51/55/158335155.db2.gz NHJAGNXXSIQJJT-JTQLQIEISA-N 0 0 301.350 0.804 10 0 DCAERN C[C@@H](NC(=O)c1ccc(N)cc1Cl)C(=O)N1CCOCC1 ZINC000135268933 158335185 /nfs/dbraw/zinc/33/51/85/158335185.db2.gz DNYACLJUANAZSW-SECBINFHSA-N 0 0 311.769 0.899 10 0 DCAERN C[C@H](NC(=O)COC[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000135309005 158335310 /nfs/dbraw/zinc/33/53/10/158335310.db2.gz RZFYPXNXHJXNOO-RYUDHWBXSA-N 0 0 308.382 0.845 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCSCCCO ZINC000135578207 158338442 /nfs/dbraw/zinc/33/84/42/158338442.db2.gz UMAVQUMCZXKOHL-UHFFFAOYSA-N 0 0 310.419 0.957 10 0 DCAERN CCc1nc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000135688745 158339898 /nfs/dbraw/zinc/33/98/98/158339898.db2.gz AFHFRLOWVFMELX-LLVKDONJSA-N 0 0 314.411 0.632 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CN2CSCC2=O)n(C)n1 ZINC000135787468 158339944 /nfs/dbraw/zinc/33/99/44/158339944.db2.gz QYRWLKTZTNPREK-UHFFFAOYSA-N 0 0 320.378 0.292 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135808128 158340130 /nfs/dbraw/zinc/34/01/30/158340130.db2.gz QRSUEBZRWJLKHO-ZDUSSCGKSA-N 0 0 312.391 0.886 10 0 DCAERN NC(=O)COCCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000136032484 158340856 /nfs/dbraw/zinc/34/08/56/158340856.db2.gz IULDOIVFQVPNBU-UHFFFAOYSA-N 0 0 306.297 0.448 10 0 DCAERN CN1CCN([C@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070364 158341684 /nfs/dbraw/zinc/34/16/84/158341684.db2.gz SWWQHLHPAQLYCZ-INIZCTEOSA-N 0 0 308.470 0.711 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCCCCOC)CCO2)[nH]1 ZINC000136854997 158344020 /nfs/dbraw/zinc/34/40/20/158344020.db2.gz MOKGQTQRPKXUDK-NSHDSACASA-N 0 0 311.386 0.877 10 0 DCAERN CCc1cnccc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000137351233 158345696 /nfs/dbraw/zinc/34/56/96/158345696.db2.gz JNRFTLXIZVYTDG-MRXNPFEDSA-N 0 0 307.394 0.457 10 0 DCAERN C[C@@H](C1CC1)N(C(=O)CN1CCS(=O)(=O)[C@H](C)C1)C1CC1 ZINC000155666187 158350697 /nfs/dbraw/zinc/35/06/97/158350697.db2.gz WYUBVYNRSCSWLO-NEPJUHHUSA-N 0 0 314.451 0.895 10 0 DCAERN COc1cccc(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000155692949 158351026 /nfs/dbraw/zinc/35/10/26/158351026.db2.gz QDFSALZBGVXAFY-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CC[S@](C)=O)C2)n1 ZINC000160439259 158354056 /nfs/dbraw/zinc/35/40/56/158354056.db2.gz SAAXRODYPTVBDM-LRTDBIEQSA-N 0 0 312.439 0.902 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000161957414 158359358 /nfs/dbraw/zinc/35/93/58/158359358.db2.gz VROLBSPBOLCOHD-CZUORRHYSA-N 0 0 309.410 0.849 10 0 DCAERN Nc1c(NC[C@H]2CN(C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103706 158362069 /nfs/dbraw/zinc/36/20/69/158362069.db2.gz HBFKQIZYCLAVJI-LBPRGKRZSA-N 0 0 315.381 0.520 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000166838188 158367300 /nfs/dbraw/zinc/36/73/00/158367300.db2.gz VTWRTIZDRWGXFL-ZDUSSCGKSA-N 0 0 303.362 0.925 10 0 DCAERN CN(C)S(=O)(=O)NCCNC(=O)c1cccc2ccccc21 ZINC000169915919 158373806 /nfs/dbraw/zinc/37/38/06/158373806.db2.gz KXLYKSQQJUGIMM-UHFFFAOYSA-N 0 0 321.402 0.966 10 0 DCAERN Cc1cc(NC(=O)N2CCN(c3cccnn3)CC2)n(C)n1 ZINC000171167625 158380399 /nfs/dbraw/zinc/38/03/99/158380399.db2.gz MBAMFTQRLRYJON-UHFFFAOYSA-N 0 0 301.354 0.873 10 0 DCAERN COCC[C@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000171205353 158381325 /nfs/dbraw/zinc/38/13/25/158381325.db2.gz YNXUMSXNEVGCNG-NSHDSACASA-N 0 0 304.354 0.887 10 0 DCAERN CCc1nc(CNC(=O)CCN2CCCS2(=O)=O)cs1 ZINC000171618824 158384539 /nfs/dbraw/zinc/38/45/39/158384539.db2.gz QRMDCAGYYBMVBO-UHFFFAOYSA-N 0 0 317.436 0.747 10 0 DCAERN Cc1nnc([C@@H](NC(=O)C(=O)c2cnn(C)c2)c2ccccc2)[nH]1 ZINC000171571242 158384644 /nfs/dbraw/zinc/38/46/44/158384644.db2.gz ROTJLKMEQZDIGD-ZDUSSCGKSA-N 0 0 324.344 0.935 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1C ZINC000171650356 158385471 /nfs/dbraw/zinc/38/54/71/158385471.db2.gz NQBMTKZZZIGVND-ZDUSSCGKSA-N 0 0 303.362 0.462 10 0 DCAERN CN(CC(=O)N1CCC[C@H](c2nccs2)C1)S(C)(=O)=O ZINC000171724181 158386297 /nfs/dbraw/zinc/38/62/97/158386297.db2.gz DZPJOZOFGKUIHV-JTQLQIEISA-N 0 0 317.436 0.741 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171752214 158386781 /nfs/dbraw/zinc/38/67/81/158386781.db2.gz YFIGCSOOGHZRBQ-KCXAZCMYSA-N 0 0 319.405 0.665 10 0 DCAERN COC[C@@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000171973169 158388619 /nfs/dbraw/zinc/38/86/19/158388619.db2.gz JBVWAFKFOLQYOO-HIFRSBDPSA-N 0 0 313.442 0.059 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)NCCC(N)=O)CC2)n1 ZINC000172119825 158390961 /nfs/dbraw/zinc/39/09/61/158390961.db2.gz TYWLYCQOCTXHDO-UHFFFAOYSA-N 0 0 305.382 0.533 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000172133979 158391124 /nfs/dbraw/zinc/39/11/24/158391124.db2.gz ZCKNVORLBXGAOK-MRVPVSSYSA-N 0 0 309.347 0.086 10 0 DCAERN CCN1CCN(C(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000172516789 158394908 /nfs/dbraw/zinc/39/49/08/158394908.db2.gz OERZCPPLKKVESC-UHFFFAOYSA-N 0 0 302.334 0.411 10 0 DCAERN NC(=O)c1cccc(CNC(=O)CNC(=O)c2ccccn2)c1 ZINC000172508608 158394972 /nfs/dbraw/zinc/39/49/72/158394972.db2.gz FJWYDZWOAYZELM-UHFFFAOYSA-N 0 0 312.329 0.227 10 0 DCAERN COC(=O)c1oc(CN2CCS(=O)(=O)[C@H](C)C2)cc1C ZINC000172552466 158395709 /nfs/dbraw/zinc/39/57/09/158395709.db2.gz UGBHALOXBQYXPP-SNVBAGLBSA-N 0 0 301.364 0.994 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)CC2 ZINC000172548355 158395728 /nfs/dbraw/zinc/39/57/28/158395728.db2.gz AVDSORFIYOYBJC-QWRGUYRKSA-N 0 0 322.413 0.492 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)NC[C@H](C)C(C)C)CC1 ZINC000172666248 158397333 /nfs/dbraw/zinc/39/73/33/158397333.db2.gz WBKVOBXGEHUNLY-NSHDSACASA-N 0 0 306.428 0.998 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172756179 158398534 /nfs/dbraw/zinc/39/85/34/158398534.db2.gz WBVYVHUTXGWPCW-GJZGRUSLSA-N 0 0 323.437 0.567 10 0 DCAERN NC(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172797372 158399531 /nfs/dbraw/zinc/39/95/31/158399531.db2.gz UUZVDCOZWVJKQJ-VXGBXAGGSA-N 0 0 304.346 0.943 10 0 DCAERN CN1CCO[C@H](C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000172786302 158399595 /nfs/dbraw/zinc/39/95/95/158399595.db2.gz UABWTQOTHFTFAY-ZDUSSCGKSA-N 0 0 300.305 0.790 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173071138 158402973 /nfs/dbraw/zinc/40/29/73/158402973.db2.gz XZMWLTZBSLLLHA-UHFFFAOYSA-N 0 0 316.427 0.023 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173912988 158411824 /nfs/dbraw/zinc/41/18/24/158411824.db2.gz XDLVGLOORGXBPN-UONOGXRCSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1cc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)no1 ZINC000175611955 158428358 /nfs/dbraw/zinc/42/83/58/158428358.db2.gz PTFBENVANPPPBE-LBPRGKRZSA-N 0 0 310.354 0.988 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000175599147 158428492 /nfs/dbraw/zinc/42/84/92/158428492.db2.gz MFJOBKPXKYBUGM-LLVKDONJSA-N 0 0 303.362 0.460 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC2CC2)C1 ZINC000177040056 158444273 /nfs/dbraw/zinc/44/42/73/158444273.db2.gz GGKKJAOZYCDFQS-LBPRGKRZSA-N 0 0 303.362 0.669 10 0 DCAERN CN(C)C(=O)NCCNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000179581488 158474167 /nfs/dbraw/zinc/47/41/67/158474167.db2.gz ZULGQOFYATUMFK-UHFFFAOYSA-N 0 0 311.386 0.687 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000180274328 158477831 /nfs/dbraw/zinc/47/78/31/158477831.db2.gz CQRUNNARWHBGQM-MVGZEHJDSA-N 0 0 311.341 0.961 10 0 DCAERN CCc1nc(CNC(=O)N2CCO[C@H](C(=O)NC)C2)cs1 ZINC000181619085 158487391 /nfs/dbraw/zinc/48/73/91/158487391.db2.gz NLBIVXFYCACLEX-JTQLQIEISA-N 0 0 312.395 0.362 10 0 DCAERN COc1ncccc1C(=O)NCCc1nnc2n1CCCC2 ZINC000184100331 158505669 /nfs/dbraw/zinc/50/56/69/158505669.db2.gz FNRNSEVNPFLOED-UHFFFAOYSA-N 0 0 301.350 0.991 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000185027013 158513775 /nfs/dbraw/zinc/51/37/75/158513775.db2.gz UROGMGNJVYOJGQ-UHFFFAOYSA-N 0 0 320.455 0.539 10 0 DCAERN CC[C@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000185085057 158514297 /nfs/dbraw/zinc/51/42/97/158514297.db2.gz OSOISZVELSGCNM-QWRGUYRKSA-N 0 0 310.423 0.908 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)c2cnn(C)c2n1 ZINC000186104137 158527131 /nfs/dbraw/zinc/52/71/31/158527131.db2.gz IKVYSFFZDRGBHN-INIZCTEOSA-N 0 0 316.361 0.908 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC(C)(CO)CC2)C[C@H](C)O1 ZINC000186402686 158531220 /nfs/dbraw/zinc/53/12/20/158531220.db2.gz RHHJINOMNBAOOV-TXEJJXNPSA-N 0 0 306.428 0.435 10 0 DCAERN CCN(C[C@H]1CCN(C(=O)CC(=O)NC)C1)CC(F)(F)F ZINC000187660696 158539135 /nfs/dbraw/zinc/53/91/35/158539135.db2.gz UMNFRZHGLSDEEB-SNVBAGLBSA-N 0 0 309.332 0.855 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)[C@H](CO)CC(C)C)cn1 ZINC000187696802 158540601 /nfs/dbraw/zinc/54/06/01/158540601.db2.gz AOIYCXMBIXOTAG-LBPRGKRZSA-N 0 0 311.386 0.500 10 0 DCAERN O=C(Cn1cccn1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188088707 158542506 /nfs/dbraw/zinc/54/25/06/158542506.db2.gz VGDJDQLYEJEEHH-UHFFFAOYSA-N 0 0 300.366 0.832 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCCN(C)C(=O)C1 ZINC000188190962 158543061 /nfs/dbraw/zinc/54/30/61/158543061.db2.gz MYJWXDCRXMUENG-NSHDSACASA-N 0 0 321.425 0.842 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1=O ZINC000189052567 158549701 /nfs/dbraw/zinc/54/97/01/158549701.db2.gz VGHIZTGBLKSNAW-OAHLLOKOSA-N 0 0 318.373 0.697 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000191594026 158569427 /nfs/dbraw/zinc/56/94/27/158569427.db2.gz TUPDYJIYOHJNAX-CQSZACIVSA-N 0 0 303.362 0.960 10 0 DCAERN NC(=O)c1ccccc1CC(=O)NCc1nnc2n1CCCC2 ZINC000192031047 158573158 /nfs/dbraw/zinc/57/31/58/158573158.db2.gz TXTSDRMHCQKXHD-UHFFFAOYSA-N 0 0 313.361 0.572 10 0 DCAERN Cn1cc(CC(=O)NCCc2nnc3n2CCCCC3)cn1 ZINC000194801589 158601098 /nfs/dbraw/zinc/60/10/98/158601098.db2.gz LCQDYAWUBIYEJS-UHFFFAOYSA-N 0 0 302.382 0.639 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000246080629 158657085 /nfs/dbraw/zinc/65/70/85/158657085.db2.gz GRERGURJMUMUGV-VXGBXAGGSA-N 0 0 316.427 0.362 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCS1(=O)=O ZINC000246910245 158672453 /nfs/dbraw/zinc/67/24/53/158672453.db2.gz MKCSSOFCQXZTEL-KKOKHZNYSA-N 0 0 316.423 0.628 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCN(c3ccccc3)CC2)O1 ZINC000249103882 158703510 /nfs/dbraw/zinc/70/35/10/158703510.db2.gz OUMRUDGDFMIGGK-GJZGRUSLSA-N 0 0 317.389 0.758 10 0 DCAERN CCS[C@H]1CCCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC000407994789 286717791 /nfs/dbraw/zinc/71/77/91/286717791.db2.gz DZXFHEYGUIXCPZ-JTQLQIEISA-N 0 0 309.457 0.174 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000284841012 158963177 /nfs/dbraw/zinc/96/31/77/158963177.db2.gz DBODHIFOVPDZTO-YOEHRIQHSA-N 0 0 302.374 0.945 10 0 DCAERN COc1cccc(CNC(=O)CN2C[C@@H](OC)C[C@H]2CO)c1 ZINC000319296916 159008071 /nfs/dbraw/zinc/00/80/71/159008071.db2.gz JIBOVQNZSJUQKI-ZFWWWQNUSA-N 0 0 308.378 0.393 10 0 DCAERN C[C@H](CC(=O)N1CCN(C2CC2)C(=O)C1)N1CCCCC1=O ZINC000328648163 159016665 /nfs/dbraw/zinc/01/66/65/159016665.db2.gz HZFZNFNNOGSFSW-GFCCVEGCSA-N 0 0 307.394 0.611 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 ZINC000328659134 159017778 /nfs/dbraw/zinc/01/77/78/159017778.db2.gz SEJCNHJDBNWOCO-HZPDHXFCSA-N 0 0 316.405 0.813 10 0 DCAERN CN(C)c1cnc(C(=O)N2CCN[C@H](c3cccnc3)C2)cn1 ZINC000328663727 159018741 /nfs/dbraw/zinc/01/87/41/159018741.db2.gz YCWCJCSNHZKYDF-AWEZNQCLSA-N 0 0 312.377 0.724 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)N1CCOCC1 ZINC000328689145 159021377 /nfs/dbraw/zinc/02/13/77/159021377.db2.gz CXDOIAIGPWQWFE-ZIAGYGMSSA-N 0 0 307.398 0.237 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@H]1CCCCC(=O)N1 ZINC000328697221 159022366 /nfs/dbraw/zinc/02/23/66/159022366.db2.gz DKUGZAKSACBRDQ-GHMZBOCLSA-N 0 0 317.411 0.555 10 0 DCAERN C[C@@H](CC(=O)N1CCN(CCO)[C@@H](C)C1)N1CCCCC1=O ZINC000328740893 159025431 /nfs/dbraw/zinc/02/54/31/159025431.db2.gz IPWDJFUUAKVRBY-KBPBESRZSA-N 0 0 311.426 0.303 10 0 DCAERN C[C@@H](CC(=O)N1CCN(C)C(=O)C1(C)C)N1CCCCC1=O ZINC000328739410 159025655 /nfs/dbraw/zinc/02/56/55/159025655.db2.gz HWPGNDNKKYMMSU-LBPRGKRZSA-N 0 0 309.410 0.857 10 0 DCAERN O=S(=O)(C1CC1)N1CCCN(c2nnc(C3CC3)o2)CC1 ZINC000328763199 159027657 /nfs/dbraw/zinc/02/76/57/159027657.db2.gz ZWMZECPZSPJNIA-UHFFFAOYSA-N 0 0 312.395 0.951 10 0 DCAERN CCN(Cc1cn(C)nn1)C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000328769981 159027911 /nfs/dbraw/zinc/02/79/11/159027911.db2.gz GNUDQVVVYWRMJP-LLVKDONJSA-N 0 0 302.382 0.702 10 0 DCAERN C[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCCC1=O ZINC000328791245 159029512 /nfs/dbraw/zinc/02/95/12/159029512.db2.gz ZEHKYYUVCFOQCS-NWDGAFQWSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@@H](CC(=O)N(C)CC1(O)CCOCC1)N1CCCCC1=O ZINC000328788877 159029884 /nfs/dbraw/zinc/02/98/84/159029884.db2.gz XYVONFOLCSTOGA-ZDUSSCGKSA-N 0 0 312.410 0.777 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@H]1C ZINC000328799748 159030452 /nfs/dbraw/zinc/03/04/52/159030452.db2.gz HOYPAUAHHUPBGS-LXTVHRRPSA-N 0 0 324.421 0.897 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000328846493 159034355 /nfs/dbraw/zinc/03/43/55/159034355.db2.gz XQOGDPNORMQGEU-UHFFFAOYSA-N 0 0 313.361 0.753 10 0 DCAERN CN(Cc1nc2cccnc2s1)C[C@@H](O)CN1CCOCC1 ZINC000328852400 159034821 /nfs/dbraw/zinc/03/48/21/159034821.db2.gz BUASNJRFIUGJHF-GFCCVEGCSA-N 0 0 322.434 0.816 10 0 DCAERN CN(C(=O)N1CCO[C@H](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328879095 159037372 /nfs/dbraw/zinc/03/73/72/159037372.db2.gz LGFAIWHVNGARNR-NEPJUHHUSA-N 0 0 302.396 0.336 10 0 DCAERN Cn1ncc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1C1CC1 ZINC000328888373 159038250 /nfs/dbraw/zinc/03/82/50/159038250.db2.gz QBLHZNCFDXDYGV-CYBMUJFWSA-N 0 0 304.394 0.844 10 0 DCAERN O=C([C@@H]1CCCO1)N(C1CC1)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000329137745 159066662 /nfs/dbraw/zinc/06/66/62/159066662.db2.gz DKQGHLDQGHFCEO-ILXRZTDVSA-N 0 0 322.405 0.936 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCO[C@@]3(CCCOC3)C1)CC2 ZINC000329206887 159073230 /nfs/dbraw/zinc/07/32/30/159073230.db2.gz ZTNSBJGOMYVIBH-GUYCJALGSA-N 0 0 319.405 0.933 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)NCc1ccnc2ccnn21 ZINC000329236996 159075460 /nfs/dbraw/zinc/07/54/60/159075460.db2.gz JYMDNADFOJLNLH-GFCCVEGCSA-N 0 0 310.379 0.718 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000329256660 159076650 /nfs/dbraw/zinc/07/66/50/159076650.db2.gz XQYRIPWKHUTCIQ-CHWSQXEVSA-N 0 0 314.411 0.814 10 0 DCAERN Cc1ncncc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329301670 159081010 /nfs/dbraw/zinc/08/10/10/159081010.db2.gz WHPNGMXYQIYPMJ-ZDUSSCGKSA-N 0 0 320.418 0.965 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)nn1 ZINC000329328687 159083274 /nfs/dbraw/zinc/08/32/74/159083274.db2.gz KOTKPCMUSXGPOH-XKAARJIMSA-N 0 0 310.354 0.114 10 0 DCAERN O=C(N1CCC[C@@H](c2nnc[nH]2)C1)C1(N2CCOCC2)CCC1 ZINC000329340397 159083737 /nfs/dbraw/zinc/08/37/37/159083737.db2.gz RPTQJBOMGNEOEY-CYBMUJFWSA-N 0 0 319.409 0.766 10 0 DCAERN Cc1c(C(=O)N(C)[C@@H]2COC[C@H]2O)cccc1N1CCNC1=O ZINC000329375975 159086790 /nfs/dbraw/zinc/08/67/90/159086790.db2.gz LOXOEPVPIXYYFH-ZIAGYGMSSA-N 0 0 319.361 0.561 10 0 DCAERN Cc1cnn(CCN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000329440343 159093783 /nfs/dbraw/zinc/09/37/83/159093783.db2.gz KAQAGWZQNDXMET-SPLOXXLWSA-N 0 0 307.423 0.731 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cn(C2CCOCC2)nn1 ZINC000329552010 159101694 /nfs/dbraw/zinc/10/16/94/159101694.db2.gz FZKAPSXNGKLHGH-RYUDHWBXSA-N 0 0 307.398 0.794 10 0 DCAERN C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCS1(=O)=O ZINC000329672588 159111004 /nfs/dbraw/zinc/11/10/04/159111004.db2.gz NPRHRNUXTSHXEU-QWRGUYRKSA-N 0 0 311.425 0.004 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000329709045 159114199 /nfs/dbraw/zinc/11/41/99/159114199.db2.gz LINJUQMJMKPGGJ-WCFLWFBJSA-N 0 0 306.366 0.069 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000329710114 159114564 /nfs/dbraw/zinc/11/45/64/159114564.db2.gz NMGLDTRHVMOLMH-JKSUJKDBSA-N 0 0 323.437 0.711 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329727624 159115450 /nfs/dbraw/zinc/11/54/50/159115450.db2.gz FGSGBJPLSSGRPN-VHRBIJSZSA-N 0 0 314.345 0.021 10 0 DCAERN CC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1N1CCOCC1 ZINC000329746657 159116340 /nfs/dbraw/zinc/11/63/40/159116340.db2.gz RYLFPCVQBLGIRA-OLZOCXBDSA-N 0 0 307.398 0.306 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC1=O ZINC000329750946 159117100 /nfs/dbraw/zinc/11/71/00/159117100.db2.gz VGLNRDJNZMZXJK-MGPQQGTHSA-N 0 0 309.410 0.034 10 0 DCAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1cncc(F)c1 ZINC000329756673 159117139 /nfs/dbraw/zinc/11/71/39/159117139.db2.gz MJJJOMWSCOAIBF-LBPRGKRZSA-N 0 0 315.370 0.362 10 0 DCAERN O=C(CSc1nncs1)N1CC[C@H](N2CCOCC2)C1 ZINC000329757943 159117361 /nfs/dbraw/zinc/11/73/61/159117361.db2.gz ZSGLHZBFAKCDRT-JTQLQIEISA-N 0 0 314.436 0.563 10 0 DCAERN CCc1ocnc1C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000329768080 159118122 /nfs/dbraw/zinc/11/81/22/159118122.db2.gz GFVSGDSNQFCDCW-LBPRGKRZSA-N 0 0 319.365 0.987 10 0 DCAERN c1c(CN2CCO[C@]3(CCOC3)C2)nnn1Cc1cccnc1 ZINC000329937703 159129974 /nfs/dbraw/zinc/12/99/74/159129974.db2.gz DRWLXXCXIMKKKV-MRXNPFEDSA-N 0 0 315.377 0.713 10 0 DCAERN CC[C@H]1CN(C(=O)C2(O)CCOCC2)C[C@H]1N1CCOCC1 ZINC000330001149 159134774 /nfs/dbraw/zinc/13/47/74/159134774.db2.gz AANALLFWCOWSAP-UONOGXRCSA-N 0 0 312.410 0.097 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330127477 159143998 /nfs/dbraw/zinc/14/39/98/159143998.db2.gz JBDHMOWASIGFFC-WDEREUQCSA-N 0 0 323.422 0.822 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCO[C@H](C2CC2)C1 ZINC000330144036 159145853 /nfs/dbraw/zinc/14/58/53/159145853.db2.gz RLZPWKOENAOECR-MCIONIFRSA-N 0 0 320.389 0.799 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157657 159146650 /nfs/dbraw/zinc/14/66/50/159146650.db2.gz ZJEADOQGRXUAKS-ZDUSSCGKSA-N 0 0 302.382 0.671 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330235570 159153213 /nfs/dbraw/zinc/15/32/13/159153213.db2.gz YWCOMYYYOJGLGF-YNEHKIRRSA-N 0 0 324.381 0.387 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000330272795 159155963 /nfs/dbraw/zinc/15/59/63/159155963.db2.gz YDLOVSDARNRVOI-OCCSQVGLSA-N 0 0 309.410 0.713 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(Cc1cccnc1)C1CC1 ZINC000330317577 159159054 /nfs/dbraw/zinc/15/90/54/159159054.db2.gz BTIMRXFYPRCWIA-LSDHHAIUSA-N 0 0 303.362 0.554 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)nc1 ZINC000330431131 159172612 /nfs/dbraw/zinc/17/26/12/159172612.db2.gz NEUFLDSKHLBVCB-GFCCVEGCSA-N 0 0 308.407 0.685 10 0 DCAERN CCSc1nnc(NC(=O)CN(C)S(C)(=O)=O)s1 ZINC000330540406 159188565 /nfs/dbraw/zinc/18/85/65/159188565.db2.gz VQHAZYLHXYHVMR-UHFFFAOYSA-N 0 0 310.426 0.480 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332708356 159211090 /nfs/dbraw/zinc/21/10/90/159211090.db2.gz XQTSGJLYTKTLKH-FRRDWIJNSA-N 0 0 307.394 0.705 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CC[C@@H](C)[C@@H]2C)nn1 ZINC000332906070 159216564 /nfs/dbraw/zinc/21/65/64/159216564.db2.gz ZJONPTHBJYLPHB-ZMJPVWNMSA-N 0 0 323.397 0.804 10 0 DCAERN C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CC(=O)N(C)C1 ZINC000360474660 159269944 /nfs/dbraw/zinc/26/99/44/159269944.db2.gz QPTMEGNOGRYHDC-VIFPVBQESA-N 0 0 308.313 0.594 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCO1 ZINC000366778855 159286287 /nfs/dbraw/zinc/28/62/87/159286287.db2.gz IGDOBCFGOBSQCF-YVECIDJPSA-N 0 0 324.377 0.527 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)N[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000367016840 159304532 /nfs/dbraw/zinc/30/45/32/159304532.db2.gz SRGGKJZDIKRRJP-XEZPLFJOSA-N 0 0 309.410 0.977 10 0 DCAERN COc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)on1 ZINC000367241591 159324398 /nfs/dbraw/zinc/32/43/98/159324398.db2.gz YTLFTFSAKXHCDV-GXFFZTMASA-N 0 0 310.350 0.981 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@](O)(C(N)=O)C2)[C@@H]1C ZINC000367488906 159340634 /nfs/dbraw/zinc/34/06/34/159340634.db2.gz GLZMDELKMSHIOS-FOCJUVANSA-N 0 0 311.426 0.240 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000367645834 159348505 /nfs/dbraw/zinc/34/85/05/159348505.db2.gz OAFYQPKRQCQRAD-SNVBAGLBSA-N 0 0 316.379 0.781 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668848 159350314 /nfs/dbraw/zinc/35/03/14/159350314.db2.gz YMILCKCXAYFTDJ-BBRMVZONSA-N 0 0 319.405 0.701 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000367715829 159351944 /nfs/dbraw/zinc/35/19/44/159351944.db2.gz CQJGFLGGWORSFO-SNVBAGLBSA-N 0 0 318.420 0.664 10 0 DCAERN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cccc(O)c2)C1=O ZINC000367998875 159369679 /nfs/dbraw/zinc/36/96/79/159369679.db2.gz IIHNUROZGKWHPZ-ZBEGNZNMSA-N 0 0 317.345 0.843 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)CCO1 ZINC000368282782 159384863 /nfs/dbraw/zinc/38/48/63/159384863.db2.gz GXJIQNHHTLNMQM-KKUMJFAQSA-N 0 0 311.426 0.916 10 0 DCAERN COc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368324705 159387439 /nfs/dbraw/zinc/38/74/39/159387439.db2.gz SYYPISFKDRVGLZ-CYBMUJFWSA-N 0 0 319.361 0.177 10 0 DCAERN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C2=COCCC2)C1=O ZINC000370039792 159494377 /nfs/dbraw/zinc/49/43/77/159494377.db2.gz ZYHUHRCRFSXVNX-XHDPSFHLSA-N 0 0 307.350 0.517 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371790234 159585459 /nfs/dbraw/zinc/58/54/59/159585459.db2.gz WHUYDKSSFBQITH-CYBMUJFWSA-N 0 0 320.389 0.789 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371836110 159590049 /nfs/dbraw/zinc/59/00/49/159590049.db2.gz XCUQIQNVCWBYCE-LLVKDONJSA-N 0 0 307.325 0.307 10 0 DCAERN COCCOc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000374966996 159762549 /nfs/dbraw/zinc/76/25/49/159762549.db2.gz YEFVOTMUSZLCPZ-OAHLLOKOSA-N 0 0 320.389 0.868 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CCCNC(=O)[C@@H]2C)NC1=O ZINC000375515616 159798791 /nfs/dbraw/zinc/79/87/91/159798791.db2.gz TWQSESOVSYGVQN-VHSXEESVSA-N 0 0 317.345 0.757 10 0 DCAERN C[C@@H](CNC(=O)N1CCN2CCOC[C@H]2C1)c1nccs1 ZINC000376305208 159850393 /nfs/dbraw/zinc/85/03/93/159850393.db2.gz QFHXEMDIPCYJRR-NWDGAFQWSA-N 0 0 310.423 0.973 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC(=O)N(C)[C@@H](C)C2)c(F)c1 ZINC000407952322 159995856 /nfs/dbraw/zinc/99/58/56/159995856.db2.gz GINVRTHRFDMXMO-VIFPVBQESA-N 0 0 315.370 0.401 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407972556 160000059 /nfs/dbraw/zinc/00/00/59/160000059.db2.gz USHVLWUBMQIYSE-LBPRGKRZSA-N 0 0 324.425 0.506 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000407978524 160001320 /nfs/dbraw/zinc/00/13/20/160001320.db2.gz ZINQKOIOYLEJQQ-RYUDHWBXSA-N 0 0 303.428 0.562 10 0 DCAERN O=S(=O)(N1CCCCC1)N1CCN(c2cccnn2)CC1 ZINC000407978408 160001422 /nfs/dbraw/zinc/00/14/22/160001422.db2.gz ZKWKXQJBJCFUGK-UHFFFAOYSA-N 0 0 311.411 0.329 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)[nH]n1 ZINC000407980463 160001550 /nfs/dbraw/zinc/00/15/50/160001550.db2.gz IZTCEPQNTUPAFM-KGYLQXTDSA-N 0 0 306.366 0.457 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)C1=O ZINC000407985806 160003347 /nfs/dbraw/zinc/00/33/47/160003347.db2.gz PYEDPKIBLXUSPM-GHMZBOCLSA-N 0 0 310.398 0.352 10 0 DCAERN C[C@@H](C[C@H]1CCCO1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000407987601 160003811 /nfs/dbraw/zinc/00/38/11/160003811.db2.gz QKFQSELUNVCXPE-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C1CCOCC1 ZINC000407997455 160006805 /nfs/dbraw/zinc/00/68/05/160006805.db2.gz OYAICNRUBUOEKY-CMPLNLGQSA-N 0 0 304.412 0.329 10 0 DCAERN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CCS1 ZINC000408002439 160007894 /nfs/dbraw/zinc/00/78/94/160007894.db2.gz MLVJXUVSQKJFED-JTQLQIEISA-N 0 0 307.437 0.544 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@]2(C)CCCO2)CC1 ZINC000408003294 160008146 /nfs/dbraw/zinc/00/81/46/160008146.db2.gz JGZYIGFDCGWHQD-ZDUSSCGKSA-N 0 0 304.412 0.486 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2scnc2C2CC2)C1 ZINC000408012982 160011147 /nfs/dbraw/zinc/01/11/47/160011147.db2.gz HYXNRMFVMAXPLW-VIFPVBQESA-N 0 0 315.420 0.914 10 0 DCAERN CN(C(=O)NC[C@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408015430 160011466 /nfs/dbraw/zinc/01/14/66/160011466.db2.gz BSGVCTWMUIORBF-OLZOCXBDSA-N 0 0 318.439 0.756 10 0 DCAERN CN(C(=O)NCC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408016764 160011784 /nfs/dbraw/zinc/01/17/84/160011784.db2.gz JBEOSWPZHYDDGA-GFCCVEGCSA-N 0 0 318.439 0.900 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000408016342 160011818 /nfs/dbraw/zinc/01/18/18/160011818.db2.gz HDZLFDSSOJMZSV-CBAPKCEASA-N 0 0 300.302 0.337 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000408022175 160013735 /nfs/dbraw/zinc/01/37/35/160013735.db2.gz RQEOFMHXKBDCDF-GBJTYRQASA-N 0 0 324.421 0.897 10 0 DCAERN Cc1cc(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)n(C)n1 ZINC000408022167 160013898 /nfs/dbraw/zinc/01/38/98/160013898.db2.gz KNZNJGQIHRPLBZ-OAHLLOKOSA-N 0 0 305.382 0.540 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCC(C)CC1 ZINC000408025388 160014629 /nfs/dbraw/zinc/01/46/29/160014629.db2.gz BFPQAUWHYOTJLD-STQMWFEESA-N 0 0 306.428 0.699 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000408034778 160017460 /nfs/dbraw/zinc/01/74/60/160017460.db2.gz HJVQYJQMEWGLTE-ZQDZILKHSA-N 0 0 312.410 0.238 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)CC3(O)CCCC3)CCN2C)n1 ZINC000408037146 160018700 /nfs/dbraw/zinc/01/87/00/160018700.db2.gz ZZJQFZKUPGPFHE-LBPRGKRZSA-N 0 0 308.382 0.888 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1(F)F ZINC000408037017 160018822 /nfs/dbraw/zinc/01/88/22/160018822.db2.gz XOIDQMRWDOGESH-FOGDFJRCSA-N 0 0 300.309 0.533 10 0 DCAERN CN(C)c1noc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000408042709 160020428 /nfs/dbraw/zinc/02/04/28/160020428.db2.gz IALCIQJAEPDRTR-YNEHKIRRSA-N 0 0 310.398 0.888 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H](C)c2cn(C)nc2C)C1 ZINC000408050469 160023379 /nfs/dbraw/zinc/02/33/79/160023379.db2.gz JWKRLUHSDWSONQ-BMIGLBTASA-N 0 0 308.382 0.279 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)co1 ZINC000408049837 160023421 /nfs/dbraw/zinc/02/34/21/160023421.db2.gz AUKAUFJABHILDB-OLZOCXBDSA-N 0 0 310.325 0.999 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)C1 ZINC000408051026 160023639 /nfs/dbraw/zinc/02/36/39/160023639.db2.gz HMBAABSIUBIXFS-TUVASFSCSA-N 0 0 324.421 0.633 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@@H](OCC(C)C)C2)C1 ZINC000408051927 160023670 /nfs/dbraw/zinc/02/36/70/160023670.db2.gz MFJBQAGETOQRJM-ZBFHGGJFSA-N 0 0 312.410 0.633 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@](C)(O)C1 ZINC000408052431 160024269 /nfs/dbraw/zinc/02/42/69/160024269.db2.gz OSVNDDZBIHMDGC-NHYWBVRUSA-N 0 0 323.397 0.816 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408053966 160024554 /nfs/dbraw/zinc/02/45/54/160024554.db2.gz XMUUZBMXNHCSPI-NEPJUHHUSA-N 0 0 321.381 0.040 10 0 DCAERN Cc1nnc2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cn12 ZINC000408063973 160026512 /nfs/dbraw/zinc/02/65/12/160026512.db2.gz YECITGNCZYMFTC-MWLCHTKSSA-N 0 0 301.350 0.764 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCOCC1 ZINC000408063921 160026567 /nfs/dbraw/zinc/02/65/67/160026567.db2.gz JXGKXHCPFFVCQL-TUVASFSCSA-N 0 0 312.410 0.096 10 0 DCAERN C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@@H](C)CN1C ZINC000408067999 160027356 /nfs/dbraw/zinc/02/73/56/160027356.db2.gz GHXLXYOEZKTFCJ-STQMWFEESA-N 0 0 314.389 0.948 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@@H](C)CN1C ZINC000408067997 160027438 /nfs/dbraw/zinc/02/74/38/160027438.db2.gz GHXLXYOEZKTFCJ-OLZOCXBDSA-N 0 0 314.389 0.948 10 0 DCAERN Cn1c2ccc(CN3CCC[C@H]4C(=O)NC[C@H]43)cc2oc1=O ZINC000408071797 160029168 /nfs/dbraw/zinc/02/91/68/160029168.db2.gz LSJUIWKMWDJOAF-DGCLKSJQSA-N 0 0 301.346 0.842 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000408071709 160029309 /nfs/dbraw/zinc/02/93/09/160029309.db2.gz DKOFMGKOCXBKDQ-QWHCGFSZSA-N 0 0 323.393 0.592 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408075297 160030367 /nfs/dbraw/zinc/03/03/67/160030367.db2.gz XSKOMQVHHSKLEW-GFCCVEGCSA-N 0 0 316.423 0.423 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408079779 160031130 /nfs/dbraw/zinc/03/11/30/160031130.db2.gz OBRUEJXNVGUCMZ-ZMJPVWNMSA-N 0 0 313.394 0.963 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCO1 ZINC000408084157 160031988 /nfs/dbraw/zinc/03/19/88/160031988.db2.gz NCKUKYDRZOZAST-UMSGYPCISA-N 0 0 306.428 0.745 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408090571 160033479 /nfs/dbraw/zinc/03/34/79/160033479.db2.gz DFCAYTAXOXLQFT-SRVKXCTJSA-N 0 0 323.397 0.672 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408093562 160034293 /nfs/dbraw/zinc/03/42/93/160034293.db2.gz OUSHKJIIQLGFRS-IJLUTSLNSA-N 0 0 300.424 0.917 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)o1 ZINC000408097339 160035056 /nfs/dbraw/zinc/03/50/56/160035056.db2.gz KUSVNNBXIIGLNM-CYBMUJFWSA-N 0 0 314.407 0.931 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(Cc2ccco2)CC1 ZINC000408099041 160035695 /nfs/dbraw/zinc/03/56/95/160035695.db2.gz JETAUJAYFZJAEM-CQSZACIVSA-N 0 0 323.418 0.845 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000408100126 160035785 /nfs/dbraw/zinc/03/57/85/160035785.db2.gz SZTGNUOWJWRKAZ-GFCCVEGCSA-N 0 0 320.411 0.227 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408099980 160035848 /nfs/dbraw/zinc/03/58/48/160035848.db2.gz OOCGEJOYVIQNLP-ZRUFSTJUSA-N 0 0 312.457 0.042 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104692 160036330 /nfs/dbraw/zinc/03/63/30/160036330.db2.gz QSUUIXRTESKCAI-OAHLLOKOSA-N 0 0 306.410 0.847 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000408106028 160037313 /nfs/dbraw/zinc/03/73/13/160037313.db2.gz WRWKOUABTWZZCE-CQSZACIVSA-N 0 0 309.391 0.592 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C)C[C@H]1C ZINC000408111402 160037755 /nfs/dbraw/zinc/03/77/55/160037755.db2.gz AZQRSFOMNHCSBS-SNVBAGLBSA-N 0 0 303.366 0.036 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1c2ccccc2OCC1=O ZINC000408111382 160038202 /nfs/dbraw/zinc/03/82/02/160038202.db2.gz ASUIGFICEQZASW-GFCCVEGCSA-N 0 0 303.362 0.575 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000408112347 160038938 /nfs/dbraw/zinc/03/89/38/160038938.db2.gz KALUDFNDWWAMIF-SMDDNHRTSA-N 0 0 303.362 0.939 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000408115945 160039639 /nfs/dbraw/zinc/03/96/39/160039639.db2.gz NCYOJRFPMULDDV-GDPRMGEGSA-N 0 0 314.363 0.533 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000408116743 160039748 /nfs/dbraw/zinc/03/97/48/160039748.db2.gz SLLWBCKWNWKLBD-LBPRGKRZSA-N 0 0 304.412 0.153 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408143818 160046603 /nfs/dbraw/zinc/04/66/03/160046603.db2.gz CQNASPYAGPSPOJ-NSHDSACASA-N 0 0 310.441 0.130 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC1CCC1 ZINC000408141739 160046923 /nfs/dbraw/zinc/04/69/23/160046923.db2.gz XWMPWMXDTUQDLA-NWDGAFQWSA-N 0 0 303.428 0.946 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(C)COC2)C1 ZINC000408144626 160047865 /nfs/dbraw/zinc/04/78/65/160047865.db2.gz MMUWTZTUOZYLSZ-LLVKDONJSA-N 0 0 304.412 0.201 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408151069 160048518 /nfs/dbraw/zinc/04/85/18/160048518.db2.gz YSFSZDFCTVNWDO-JTQLQIEISA-N 0 0 307.316 0.464 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H](O)CC1 ZINC000408179208 160053707 /nfs/dbraw/zinc/05/37/07/160053707.db2.gz XRGRMALTUGABIV-VIFPVBQESA-N 0 0 318.420 0.691 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408194881 160057301 /nfs/dbraw/zinc/05/73/01/160057301.db2.gz ZTGBWGXWKZDKEO-CMPLNLGQSA-N 0 0 305.396 0.769 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408201259 160058170 /nfs/dbraw/zinc/05/81/70/160058170.db2.gz DVLAICRFHRPSHN-OLZOCXBDSA-N 0 0 317.393 0.430 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC(=O)N1 ZINC000408204692 160059150 /nfs/dbraw/zinc/05/91/50/160059150.db2.gz OKNNUKCBTBOGHW-NRUUGDAUSA-N 0 0 321.402 0.662 10 0 DCAERN C[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211077 160060888 /nfs/dbraw/zinc/06/08/88/160060888.db2.gz MOYDSRMRPYOIDP-FVINQWEUSA-N 0 0 301.412 0.160 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000408218071 160062222 /nfs/dbraw/zinc/06/22/22/160062222.db2.gz GXJACNIAFSDPPI-RKDXNWHRSA-N 0 0 318.420 0.953 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000408218576 160062388 /nfs/dbraw/zinc/06/23/88/160062388.db2.gz SSTVGRZAJMLAQD-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000408222922 160063301 /nfs/dbraw/zinc/06/33/01/160063301.db2.gz RZYVAIACCXHYFA-BMIGLBTASA-N 0 0 311.382 0.232 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)ccc1F ZINC000408227846 160064121 /nfs/dbraw/zinc/06/41/21/160064121.db2.gz DIYVHIFHRDLGPV-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233540 160065241 /nfs/dbraw/zinc/06/52/41/160065241.db2.gz VUBYIGPCFDSHSL-UPJWGTAASA-N 0 0 311.426 0.598 10 0 DCAERN O=C(c1cnn2cccnc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000408233501 160065461 /nfs/dbraw/zinc/06/54/61/160065461.db2.gz VGDRYXCMDHYSNE-GFCCVEGCSA-N 0 0 301.350 0.276 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000408237666 160066506 /nfs/dbraw/zinc/06/65/06/160066506.db2.gz RGQLOCXRBNHCNH-QWRGUYRKSA-N 0 0 321.443 0.187 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CC1(O)CCCC1 ZINC000408240940 160066769 /nfs/dbraw/zinc/06/67/69/160066769.db2.gz GQBAIUMCQJOQMY-RYUDHWBXSA-N 0 0 318.439 0.658 10 0 DCAERN Cc1cc(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n2ncnc2n1 ZINC000408240695 160066868 /nfs/dbraw/zinc/06/68/68/160066868.db2.gz FHWCFJZFZQCQNK-MNOVXSKESA-N 0 0 324.410 0.705 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000408243284 160067933 /nfs/dbraw/zinc/06/79/33/160067933.db2.gz FRUSMXNEUBQADQ-IHRRRGAJSA-N 0 0 320.455 0.394 10 0 DCAERN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC000408246781 160068626 /nfs/dbraw/zinc/06/86/26/160068626.db2.gz OXNANLGODUHHFG-OLZOCXBDSA-N 0 0 302.440 0.895 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cs1 ZINC000408248251 160069015 /nfs/dbraw/zinc/06/90/15/160069015.db2.gz UKANROLXFHCFAR-CQSZACIVSA-N 0 0 322.390 0.844 10 0 DCAERN C[C@H](CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)[S@](C)=O ZINC000408258764 160071552 /nfs/dbraw/zinc/07/15/52/160071552.db2.gz AYZPCXWPLPNKEO-MGOULQTBSA-N 0 0 315.439 0.455 10 0 DCAERN C[C@H](CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)[S@](C)=O ZINC000408258761 160071570 /nfs/dbraw/zinc/07/15/70/160071570.db2.gz AYZPCXWPLPNKEO-DAKYAEBGSA-N 0 0 315.439 0.455 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259450 160071579 /nfs/dbraw/zinc/07/15/79/160071579.db2.gz LVWDLVKCDHJZQV-HNNXBMFYSA-N 0 0 310.398 0.070 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1C(C)(C)C1(C)C ZINC000408274979 160074118 /nfs/dbraw/zinc/07/41/18/160074118.db2.gz RACMYWKMXVLGIR-SNVBAGLBSA-N 0 0 309.410 0.522 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000408292407 160077824 /nfs/dbraw/zinc/07/78/24/160077824.db2.gz SJSDAPDJONMWCI-NSHDSACASA-N 0 0 301.346 0.379 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000408293896 160078232 /nfs/dbraw/zinc/07/82/32/160078232.db2.gz IYVDUACZMYELLC-QWRGUYRKSA-N 0 0 301.346 0.458 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000408294142 160078484 /nfs/dbraw/zinc/07/84/84/160078484.db2.gz KSDGHBNPUFDOSK-VIFPVBQESA-N 0 0 317.349 0.328 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000408301327 160079849 /nfs/dbraw/zinc/07/98/49/160079849.db2.gz RLQRCZXAAMYOCE-FRRDWIJNSA-N 0 0 324.425 0.600 10 0 DCAERN C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)[S@@](C)=O ZINC000408305114 160080910 /nfs/dbraw/zinc/08/09/10/160080910.db2.gz HEGHPOIFTMZOKR-VMMKKLLLSA-N 0 0 318.439 0.733 10 0 DCAERN C[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000408310529 160082555 /nfs/dbraw/zinc/08/25/55/160082555.db2.gz SJNVCCVLFOUBLN-IJLUTSLNSA-N 0 0 303.428 0.756 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000408315082 160083067 /nfs/dbraw/zinc/08/30/67/160083067.db2.gz YMQGSMMEDKRLQK-JTQLQIEISA-N 0 0 315.313 0.479 10 0 DCAERN Cn1cc([C@@H]2CSCCN2C(=O)[C@H]2CC[C@H](C(N)=O)O2)cn1 ZINC000408322900 160085099 /nfs/dbraw/zinc/08/50/99/160085099.db2.gz WNDBAIITQMUTFS-QJPTWQEYSA-N 0 0 324.406 0.070 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1C ZINC000408321190 160085103 /nfs/dbraw/zinc/08/51/03/160085103.db2.gz QHJLOMQFKZSKHU-KWQFWETISA-N 0 0 307.350 0.658 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[S@](C)=O ZINC000408337837 160087386 /nfs/dbraw/zinc/08/73/86/160087386.db2.gz IMADSLVRZBSOIQ-DBYGNECLSA-N 0 0 310.485 0.956 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)CCO1 ZINC000408337216 160087629 /nfs/dbraw/zinc/08/76/29/160087629.db2.gz BHTSBQJWJXREPU-JHJVBQTASA-N 0 0 320.393 0.847 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCO[C@H](CO)C1 ZINC000408351227 160090197 /nfs/dbraw/zinc/09/01/97/160090197.db2.gz ZBMBESVBDVXEOO-IHRRRGAJSA-N 0 0 300.399 0.983 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H]1O ZINC000408366505 160092890 /nfs/dbraw/zinc/09/28/90/160092890.db2.gz PEKKJZZNAAJCSS-FDYHWXHSSA-N 0 0 318.439 0.755 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(CC(C)C)C(=O)C2)CC(=O)N1 ZINC000408367123 160093217 /nfs/dbraw/zinc/09/32/17/160093217.db2.gz RLBRZOCXTSRLCM-CHWSQXEVSA-N 0 0 309.410 0.618 10 0 DCAERN CC(C)NS(=O)(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000408364632 160093389 /nfs/dbraw/zinc/09/33/89/160093389.db2.gz ADHPNDCDUDBWLF-ZDUSSCGKSA-N 0 0 305.444 0.272 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc32)CC[C@@H]1O ZINC000408378477 160095201 /nfs/dbraw/zinc/09/52/01/160095201.db2.gz VQIHNTQRMVHOAQ-ABAIWWIYSA-N 0 0 315.373 0.705 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000408375917 160095207 /nfs/dbraw/zinc/09/52/07/160095207.db2.gz LTDCOYPNOKOPPQ-SKDRFNHKSA-N 0 0 304.350 0.820 10 0 DCAERN C[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc32)CC[C@@H]1O ZINC000408378481 160095292 /nfs/dbraw/zinc/09/52/92/160095292.db2.gz VQIHNTQRMVHOAQ-NHYWBVRUSA-N 0 0 315.373 0.705 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408385013 160096488 /nfs/dbraw/zinc/09/64/88/160096488.db2.gz KSBBDDOBQCUWKR-SRVKXCTJSA-N 0 0 304.412 0.342 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408383319 160096513 /nfs/dbraw/zinc/09/65/13/160096513.db2.gz VWJXCNOHKDNVDW-NWDGAFQWSA-N 0 0 322.409 0.450 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H]1C(C)(C)O ZINC000408382369 160097014 /nfs/dbraw/zinc/09/70/14/160097014.db2.gz CRCOWAJFXBWLGU-SECBINFHSA-N 0 0 307.803 0.998 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000408385907 160097618 /nfs/dbraw/zinc/09/76/18/160097618.db2.gz MWKUTKIVJKHTBF-WCQYABFASA-N 0 0 318.439 0.719 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000408392001 160099340 /nfs/dbraw/zinc/09/93/40/160099340.db2.gz AVNIRORYPWIMHM-UTUOFQBUSA-N 0 0 306.366 0.422 10 0 DCAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000408400317 160101155 /nfs/dbraw/zinc/10/11/55/160101155.db2.gz QTFDJRQRGWMYFD-HUUCEWRRSA-N 0 0 321.377 0.401 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](OCCO)C1 ZINC000408406671 160101870 /nfs/dbraw/zinc/10/18/70/160101870.db2.gz RRZIJXDHFNYDPC-QWHCGFSZSA-N 0 0 323.397 0.604 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408425533 160104903 /nfs/dbraw/zinc/10/49/03/160104903.db2.gz GMMNMJBJQIIZLM-VXGBXAGGSA-N 0 0 324.425 0.553 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408426815 160105762 /nfs/dbraw/zinc/10/57/62/160105762.db2.gz XAHGUSVGFSAJGY-WOPDTQHZSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000408428296 160106094 /nfs/dbraw/zinc/10/60/94/160106094.db2.gz UIIXGAWQVXWAFN-DGCLKSJQSA-N 0 0 324.425 0.553 10 0 DCAERN Cn1nccc1CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408438620 160108187 /nfs/dbraw/zinc/10/81/87/160108187.db2.gz JMVFMVFRIDUXRL-ZDUSSCGKSA-N 0 0 304.394 0.824 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000408448810 160110307 /nfs/dbraw/zinc/11/03/07/160110307.db2.gz BBOMZDCUMYUVPN-OLZOCXBDSA-N 0 0 313.423 0.466 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC2(C)CCCC2)N(S(C)(=O)=O)C1 ZINC000408450489 160111289 /nfs/dbraw/zinc/11/12/89/160111289.db2.gz DWSZNBZJQHWVOQ-WDEREUQCSA-N 0 0 304.412 0.484 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000408452213 160111328 /nfs/dbraw/zinc/11/13/28/160111328.db2.gz MAAVVXBGWONKFZ-ZDUSSCGKSA-N 0 0 301.412 0.389 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000408464305 160113610 /nfs/dbraw/zinc/11/36/10/160113610.db2.gz DUGRSCUCXPIYBJ-DUFXMDAXSA-N 0 0 322.336 0.860 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408464828 160114796 /nfs/dbraw/zinc/11/47/96/160114796.db2.gz FWTMKALZNHHWEI-WDEREUQCSA-N 0 0 322.365 0.930 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408470239 160115756 /nfs/dbraw/zinc/11/57/56/160115756.db2.gz QGFVVINGSGXIBE-QWRGUYRKSA-N 0 0 317.415 0.303 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](C)CCO)cc1 ZINC000097439130 286938096 /nfs/dbraw/zinc/93/80/96/286938096.db2.gz SBBXNQQUONSHOF-NSHDSACASA-N 0 0 315.391 0.699 10 0 DCAERN CC[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000122371650 286943560 /nfs/dbraw/zinc/94/35/60/286943560.db2.gz RZXHTLKPGGOTDS-HUUCEWRRSA-N 0 0 309.385 0.741 10 0 DCAERN Cn1cnnc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000119036820 286946500 /nfs/dbraw/zinc/94/65/00/286946500.db2.gz HKCRWWYJODEKJT-UHFFFAOYSA-N 0 0 311.340 0.725 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000120320026 286951689 /nfs/dbraw/zinc/95/16/89/286951689.db2.gz JWZDWKDPWYXLOI-GHMZBOCLSA-N 0 0 321.381 0.392 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000120837952 286953000 /nfs/dbraw/zinc/95/30/00/286953000.db2.gz HQYCZRSXAFQYFT-KGLIPLIRSA-N 0 0 305.382 0.678 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cc2cc(OC)ccc2OC)C1 ZINC000121312107 286954849 /nfs/dbraw/zinc/95/48/49/286954849.db2.gz BUFJWXHJHHHYSC-UHFFFAOYSA-N 0 0 306.362 0.841 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)Nc1cnc(N(C)C)nc1 ZINC000125824784 286968232 /nfs/dbraw/zinc/96/82/32/286968232.db2.gz MTMDGNUAMVXUBW-UHFFFAOYSA-N 0 0 303.322 0.357 10 0 DCAERN CC[C@@H]1CN(C(=O)CN2CSCC2=O)CCN1CC(F)F ZINC000125936958 286968881 /nfs/dbraw/zinc/96/88/81/286968881.db2.gz ONKQCJCWDPHNFQ-SNVBAGLBSA-N 0 0 321.393 0.707 10 0 DCAERN CCC[C@@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000126180729 286970048 /nfs/dbraw/zinc/97/00/48/286970048.db2.gz GDBXWVBYCAFFRV-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCCO ZINC000126170690 286970138 /nfs/dbraw/zinc/97/01/38/286970138.db2.gz DTAGSKANFQUCKS-NSHDSACASA-N 0 0 304.350 0.467 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H]2C)n(C)n1 ZINC000127798259 286979436 /nfs/dbraw/zinc/97/94/36/286979436.db2.gz XQGSUQYXNKBZHF-GHMZBOCLSA-N 0 0 308.382 0.804 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000132179349 287004215 /nfs/dbraw/zinc/00/42/15/287004215.db2.gz XVRSQVKNTSGMEV-NEPJUHHUSA-N 0 0 318.439 0.752 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](C)[C@@H](C)CO)c1C ZINC000131395632 287000106 /nfs/dbraw/zinc/00/01/06/287000106.db2.gz ZYYCRIREGZOUKR-ONGXEEELSA-N 0 0 314.407 0.698 10 0 DCAERN COC[C@H](O)CCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000132695776 287006592 /nfs/dbraw/zinc/00/65/92/287006592.db2.gz SJFONVCPAVHLBO-LLVKDONJSA-N 0 0 314.386 0.822 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC1=O ZINC000133926856 287014259 /nfs/dbraw/zinc/01/42/59/287014259.db2.gz WTGRLWHULSEQKO-CHWSQXEVSA-N 0 0 307.394 0.372 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000135651711 287024076 /nfs/dbraw/zinc/02/40/76/287024076.db2.gz JTVUSCODPUVCHE-NWDGAFQWSA-N 0 0 318.439 0.732 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000151147398 287032078 /nfs/dbraw/zinc/03/20/78/287032078.db2.gz ANMOCRZBRPUHBZ-UWVGGRQHSA-N 0 0 300.380 0.341 10 0 DCAERN COC[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C1CC1 ZINC000151745597 287036069 /nfs/dbraw/zinc/03/60/69/287036069.db2.gz JRSMLZWRUZDTPG-CYBMUJFWSA-N 0 0 317.345 0.231 10 0 DCAERN CCOC(=O)C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000152113736 287038634 /nfs/dbraw/zinc/03/86/34/287038634.db2.gz AANFVYHVBBOVIT-VIFPVBQESA-N 0 0 303.318 0.995 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C)C1 ZINC000152327209 287040449 /nfs/dbraw/zinc/04/04/49/287040449.db2.gz FQNBVNBTFKATTA-LLVKDONJSA-N 0 0 321.381 0.266 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000152873815 287044849 /nfs/dbraw/zinc/04/48/49/287044849.db2.gz ZQDVBSPDSRTXRC-GFCCVEGCSA-N 0 0 300.399 0.491 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000177132746 287053694 /nfs/dbraw/zinc/05/36/94/287053694.db2.gz LFSLTJVFKHRVHI-JTQLQIEISA-N 0 0 309.332 0.998 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000180996469 287055965 /nfs/dbraw/zinc/05/59/65/287055965.db2.gz BIPAGWOMBMRTGO-AWEZNQCLSA-N 0 0 304.390 0.898 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccn(C)n1 ZINC000181407016 287056566 /nfs/dbraw/zinc/05/65/66/287056566.db2.gz TXEPMEHDMCHQIC-HNNXBMFYSA-N 0 0 314.389 0.778 10 0 DCAERN Cn1nc(C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F ZINC000186040387 287057303 /nfs/dbraw/zinc/05/73/03/287057303.db2.gz VOBZBISDKYLWDS-UHFFFAOYSA-N 0 0 311.248 0.768 10 0 DCAERN CNC(=O)C1CN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000186122108 287057558 /nfs/dbraw/zinc/05/75/58/287057558.db2.gz AXHFKEVMJAOYQQ-CQSZACIVSA-N 0 0 303.362 0.458 10 0 DCAERN CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193421407 287061129 /nfs/dbraw/zinc/06/11/29/287061129.db2.gz CJORSJBTABGOOF-UHFFFAOYSA-N 0 0 317.349 0.494 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193405469 287060785 /nfs/dbraw/zinc/06/07/85/287060785.db2.gz DSDXVGPWBWUJBD-JTQLQIEISA-N 0 0 314.345 0.796 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194760012 287062463 /nfs/dbraw/zinc/06/24/63/287062463.db2.gz VJNKUWYAYVRUPV-GFCCVEGCSA-N 0 0 303.362 0.480 10 0 DCAERN Cn1c(N)c(C(=O)CN2CCC[C@@H]3CCC[C@H]32)c(=O)n(C)c1=O ZINC000245451348 287069534 /nfs/dbraw/zinc/06/95/34/287069534.db2.gz PJUSJBYAUGWTMA-WDEREUQCSA-N 0 0 320.393 0.113 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)C(C)(C)C ZINC000245484227 287069878 /nfs/dbraw/zinc/06/98/78/287069878.db2.gz GZSOQXVTYRNZRF-SDDRHHMPSA-N 0 0 308.444 0.991 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000245492848 287069891 /nfs/dbraw/zinc/06/98/91/287069891.db2.gz KHLUKTJIEWFLRY-IJLUTSLNSA-N 0 0 308.444 0.991 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)[C@@H](C)CO1 ZINC000245620995 287071249 /nfs/dbraw/zinc/07/12/49/287071249.db2.gz NSBOGEBMECPJKF-FEPKRQSRSA-N 0 0 320.455 0.823 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000245637456 287071503 /nfs/dbraw/zinc/07/15/03/287071503.db2.gz RSPFOHZJQICJGC-QNWHQSFQSA-N 0 0 306.428 0.576 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246056441 287075664 /nfs/dbraw/zinc/07/56/64/287075664.db2.gz CVYAWFQGEOPLGE-NEPJUHHUSA-N 0 0 316.427 0.596 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246479097 287083952 /nfs/dbraw/zinc/08/39/52/287083952.db2.gz JQVXZONSNMQVJV-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)no1 ZINC000246598528 287085993 /nfs/dbraw/zinc/08/59/93/287085993.db2.gz CUUCFIPQOWPFDB-ZJUUUORDSA-N 0 0 301.368 0.429 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000247045016 287090459 /nfs/dbraw/zinc/09/04/59/287090459.db2.gz NEJBYDKPYDIBQS-NEPJUHHUSA-N 0 0 323.368 0.678 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cnc21 ZINC000248406112 287096548 /nfs/dbraw/zinc/09/65/48/287096548.db2.gz BPGDUKABGLJGII-YUSALJHKSA-N 0 0 301.350 0.907 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)CC(O)C[C@H]1C)C(=O)OC ZINC000248836913 287101872 /nfs/dbraw/zinc/10/18/72/287101872.db2.gz NVGSAEXNIWEPDW-YFCNSXCBSA-N 0 0 314.426 0.924 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCOC[C@H]3C)C2=O)n(C)n1 ZINC000248881206 287102767 /nfs/dbraw/zinc/10/27/67/287102767.db2.gz SGFCLMSUAUVUQZ-WXHSDQCUSA-N 0 0 320.393 0.623 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000248734524 287100514 /nfs/dbraw/zinc/10/05/14/287100514.db2.gz AZCSBPBVXBVNQI-MROQNXINSA-N 0 0 318.439 0.493 10 0 DCAERN CN(C)c1noc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1 ZINC000249554714 287113915 /nfs/dbraw/zinc/11/39/15/287113915.db2.gz LRIVZNDJGNBQSQ-GHMZBOCLSA-N 0 0 316.427 0.923 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000252692519 287120778 /nfs/dbraw/zinc/12/07/78/287120778.db2.gz CUMXQCYCUBSXMP-KGLIPLIRSA-N 0 0 319.471 0.494 10 0 DCAERN CC(C)[C@H](C(=O)NC[C@H](CO)C1CC1)N1CCCS1(=O)=O ZINC000358309377 287206568 /nfs/dbraw/zinc/20/65/68/287206568.db2.gz PSHDOMIIJOYRGW-CHWSQXEVSA-N 0 0 318.439 0.181 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)CN2CCCCC2=O)no1 ZINC000358389515 287207531 /nfs/dbraw/zinc/20/75/31/287207531.db2.gz SVKMPKLBHQJDRW-JTQLQIEISA-N 0 0 310.354 0.796 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358311757 287206999 /nfs/dbraw/zinc/20/69/99/287206999.db2.gz RZIIWSCBTCGGMV-OLZOCXBDSA-N 0 0 306.362 0.763 10 0 DCAERN CN(CCN1CCOCC1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358457794 287210480 /nfs/dbraw/zinc/21/04/80/287210480.db2.gz SSNURXSIIZSHKK-UHFFFAOYSA-N 0 0 321.377 0.618 10 0 DCAERN c1nnc2ccc(N[C@@H]3CCN(c4ccc5nncn5n4)C3)nn12 ZINC000624532974 412436046 /nfs/dbraw/zinc/43/60/46/412436046.db2.gz GNRWGMWUJBHNOP-SNVBAGLBSA-N 0 0 322.336 0.253 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@H](O)C2CC2)[C@@H]1c1cccnc1 ZINC000268427841 415212103 /nfs/dbraw/zinc/21/21/03/415212103.db2.gz RMOCVXVOPTVBEF-YDHLFZDLSA-N 0 0 303.362 0.488 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)c2c(O)cccc21 ZINC000274380663 415351480 /nfs/dbraw/zinc/35/14/80/415351480.db2.gz MTKGQTWYRKNARV-SECBINFHSA-N 0 0 303.318 0.784 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1O ZINC000273053072 415304308 /nfs/dbraw/zinc/30/43/08/415304308.db2.gz WXBALZSIOPJEMP-VXGBXAGGSA-N 0 0 318.377 0.892 10 0 DCAERN COC(=O)CCCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000073484190 415420079 /nfs/dbraw/zinc/42/00/79/415420079.db2.gz SXUIWNAZTNEJIJ-LBPRGKRZSA-N 0 0 323.397 0.641 10 0 DCAERN COCCNC(=O)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000073544015 415424386 /nfs/dbraw/zinc/42/43/86/415424386.db2.gz NUFITJIILQDFAF-UHFFFAOYSA-N 0 0 320.324 0.708 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)NCCc1c(C)nn(C)c1C ZINC000065584436 415358426 /nfs/dbraw/zinc/35/84/26/415358426.db2.gz GMXJJPRSENZMMD-CYBMUJFWSA-N 0 0 309.414 0.923 10 0 DCAERN C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)n1cncn1 ZINC000067200651 415374660 /nfs/dbraw/zinc/37/46/60/415374660.db2.gz BLCMCAJKHXGITE-OCCSQVGLSA-N 0 0 315.377 0.655 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCO[C@@H]1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000332816903 415484719 /nfs/dbraw/zinc/48/47/19/415484719.db2.gz JVZKOKNUBNGYNP-OBPIAQAESA-N 0 0 308.378 0.844 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H](C)O1 ZINC000332829368 415490043 /nfs/dbraw/zinc/49/00/43/415490043.db2.gz POQQDRKNTTWFQL-MROQNXINSA-N 0 0 309.370 0.427 10 0 DCAERN CC[C@@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)OC ZINC000084371736 415495827 /nfs/dbraw/zinc/49/58/27/415495827.db2.gz ROLRBNWDYAZION-LLVKDONJSA-N 0 0 317.345 0.966 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCC[C@@H](C)O)ccc1F ZINC000084300065 415496756 /nfs/dbraw/zinc/49/67/56/415496756.db2.gz NPQSTGWNILVJCU-MRVPVSSYSA-N 0 0 304.343 0.235 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)C[C@H]21 ZINC000332679140 415433874 /nfs/dbraw/zinc/43/38/74/415433874.db2.gz GHHXPUUCBAJFJA-MGPQQGTHSA-N 0 0 319.409 0.485 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)s1 ZINC000074813557 415433906 /nfs/dbraw/zinc/43/39/06/415433906.db2.gz DLLUWVZXMFBXDV-UHFFFAOYSA-N 0 0 309.434 0.730 10 0 DCAERN C[C@@H]1C[C@H]1Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000276203190 415449616 /nfs/dbraw/zinc/44/96/16/415449616.db2.gz JAVJUFJNIANNGS-ZYHUDNBSSA-N 0 0 309.391 0.773 10 0 DCAERN C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332768271 415469509 /nfs/dbraw/zinc/46/95/09/415469509.db2.gz CLMWQBPLKJKNPB-IGQOVBAYSA-N 0 0 308.382 0.930 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085792880 415506653 /nfs/dbraw/zinc/50/66/53/415506653.db2.gz VKRYCYNMHQNTMZ-STQMWFEESA-N 0 0 317.455 0.114 10 0 DCAERN O=C(CCc1nnc[nH]1)Nc1c[nH]cc(Br)c1=O ZINC000089990024 415527973 /nfs/dbraw/zinc/52/79/73/415527973.db2.gz IHZMMVCTCMUSLQ-UHFFFAOYSA-N 0 0 312.127 0.827 10 0 DCAERN CCc1nc(NC(=O)CN2CCOC[C@@H]2C(N)=O)sc1C ZINC000092229277 415538959 /nfs/dbraw/zinc/53/89/59/415538959.db2.gz OJHZRGOQBXQQHF-SNVBAGLBSA-N 0 0 312.395 0.139 10 0 DCAERN COC(=O)[C@@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696303 415542584 /nfs/dbraw/zinc/54/25/84/415542584.db2.gz WHHUDPGAZFGAEX-RYUDHWBXSA-N 0 0 306.428 0.445 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000094072023 415548709 /nfs/dbraw/zinc/54/87/09/415548709.db2.gz DSDINPBMYNYUEV-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333116879 415560381 /nfs/dbraw/zinc/56/03/81/415560381.db2.gz FZKMCQUPBLLFKM-AGIUHOORSA-N 0 0 315.439 0.852 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCCO2)cc1F ZINC000353612330 415602956 /nfs/dbraw/zinc/60/29/56/415602956.db2.gz WWNURTDTKJZSIO-UHFFFAOYSA-N 0 0 315.322 0.966 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)c2ccccc2)[nH]1 ZINC000103281261 415612432 /nfs/dbraw/zinc/61/24/32/415612432.db2.gz GCPPKSUKDDOMIH-TZMCWYRMSA-N 0 0 313.361 0.797 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cscc2Br)C1 ZINC000286499963 415630685 /nfs/dbraw/zinc/63/06/85/415630685.db2.gz NKANDDVDLOPFBD-SNVBAGLBSA-N 0 0 319.180 0.573 10 0 DCAERN CN1CC[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000333256033 415596187 /nfs/dbraw/zinc/59/61/87/415596187.db2.gz LFUQQIGTERGVJY-MCIONIFRSA-N 0 0 321.421 0.762 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000333449749 415653918 /nfs/dbraw/zinc/65/39/18/415653918.db2.gz NJXJBKPDMXQWOU-YNEHKIRRSA-N 0 0 324.402 0.630 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000333592428 415691567 /nfs/dbraw/zinc/69/15/67/415691567.db2.gz LIERPOVANOUXBI-UPJWGTAASA-N 0 0 323.397 0.949 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2nnnn2CC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333897440 415761915 /nfs/dbraw/zinc/76/19/15/415761915.db2.gz YMOFOROIVDYXJP-KXNHARMFSA-N 0 0 311.411 0.486 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000120674952 415778027 /nfs/dbraw/zinc/77/80/27/415778027.db2.gz QFWPGVIBVKXLMK-UHFFFAOYSA-N 0 0 306.301 0.608 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCCCc1nccs1 ZINC000290130779 415765127 /nfs/dbraw/zinc/76/51/27/415765127.db2.gz LSOKOFPKFASIBO-UHFFFAOYSA-N 0 0 306.409 0.948 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1c1nncn1C ZINC000120122335 415757886 /nfs/dbraw/zinc/75/78/86/415757886.db2.gz OMPMYPQTBYYIIL-QWRGUYRKSA-N 0 0 323.422 0.790 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cn1 ZINC000122651115 415836230 /nfs/dbraw/zinc/83/62/30/415836230.db2.gz UGHGDMWUBRAFAX-UHFFFAOYSA-N 0 0 312.329 1.000 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000123878666 415845533 /nfs/dbraw/zinc/84/55/33/415845533.db2.gz JZAKQGVXAGXJTG-LBPRGKRZSA-N 0 0 314.430 0.169 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC(Cn3ccnn3)CC2)c1 ZINC000121180060 415795842 /nfs/dbraw/zinc/79/58/42/415795842.db2.gz LKGIFGSDVCSMIC-UHFFFAOYSA-N 0 0 317.397 0.905 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1cccnc1 ZINC000127045059 415881323 /nfs/dbraw/zinc/88/13/23/415881323.db2.gz DIPPHLJDQSDKLB-UHFFFAOYSA-N 0 0 324.340 0.444 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)[nH]c1C ZINC000126918792 415883200 /nfs/dbraw/zinc/88/32/00/415883200.db2.gz FGLAMGCQOPQPAM-SNVBAGLBSA-N 0 0 306.366 0.516 10 0 DCAERN COCCc1cc(NC(=O)N(C)CCn2cccn2)n(C)n1 ZINC000128433853 415897292 /nfs/dbraw/zinc/89/72/92/415897292.db2.gz TVGQXJJPXJANRO-UHFFFAOYSA-N 0 0 306.370 0.969 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)ncn3C)CCS1(=O)=O ZINC000129850992 415911318 /nfs/dbraw/zinc/91/13/18/415911318.db2.gz MENKMSPIEVPRKF-JTQLQIEISA-N 0 0 307.375 0.832 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000130631214 415921468 /nfs/dbraw/zinc/92/14/68/415921468.db2.gz ZREZYUYGNRVDAA-QWHCGFSZSA-N 0 0 312.391 0.628 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000131062538 415926823 /nfs/dbraw/zinc/92/68/23/415926823.db2.gz YELJQDNCSDAOIR-QWHCGFSZSA-N 0 0 314.430 0.393 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCCc1nc(C)no1 ZINC000125134288 415859037 /nfs/dbraw/zinc/85/90/37/415859037.db2.gz ZJBZDQPNYBMMFF-NSHDSACASA-N 0 0 311.386 0.915 10 0 DCAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N1CCNC(=O)CC1 ZINC000133796497 415951254 /nfs/dbraw/zinc/95/12/54/415951254.db2.gz NIBOTPUOXQHSQT-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC)CCO ZINC000133760151 415952665 /nfs/dbraw/zinc/95/26/65/415952665.db2.gz XFGSJUYKVYDZGP-NWDGAFQWSA-N 0 0 306.428 0.468 10 0 DCAERN CN1C[C@@H](NC(=O)CCNC(=O)Cc2ccccc2)CCC1=O ZINC000134095074 415954247 /nfs/dbraw/zinc/95/42/47/415954247.db2.gz IQFWZWJHCNHHAK-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@](C)(O)C2)[C@H]1c1cccnc1 ZINC000152479948 415966900 /nfs/dbraw/zinc/96/69/00/415966900.db2.gz AIFVZHNGKDJMSY-LXZKKBNFSA-N 0 0 317.389 0.974 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000152935215 415973538 /nfs/dbraw/zinc/97/35/38/415973538.db2.gz YMCJWFJTTPCLQK-IINYFYTJSA-N 0 0 314.332 0.523 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)NC2=O)cnn1-c1ccccc1 ZINC000153275448 415978964 /nfs/dbraw/zinc/97/89/64/415978964.db2.gz HPOAYSJCCYWXDV-ZDUSSCGKSA-N 0 0 312.329 0.716 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N[C@H]3CCC(=O)NC3=O)nn2)c1 ZINC000153474636 415981165 /nfs/dbraw/zinc/98/11/65/415981165.db2.gz JGDLGAMWDNCRTL-NSHDSACASA-N 0 0 313.317 0.111 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1SCCc2sccc21 ZINC000153526617 415983073 /nfs/dbraw/zinc/98/30/73/415983073.db2.gz VDRLBLMVYQZUAZ-GZMMTYOYSA-N 0 0 310.400 1.000 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153611646 415984953 /nfs/dbraw/zinc/98/49/53/415984953.db2.gz IAQRWCTYUDDFKO-QWRGUYRKSA-N 0 0 320.384 0.882 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[C@@H]2C)CC1 ZINC000344787004 415989155 /nfs/dbraw/zinc/98/91/55/415989155.db2.gz HQDNPXCDKJTCDD-WCQYABFASA-N 0 0 310.398 0.165 10 0 DCAERN CN(C)c1ncc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000155086529 415992490 /nfs/dbraw/zinc/99/24/90/415992490.db2.gz OINKCVLQZDDVQL-ZDUSSCGKSA-N 0 0 320.397 0.481 10 0 DCAERN CC[C@@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccncc1 ZINC000158517587 415999870 /nfs/dbraw/zinc/99/98/70/415999870.db2.gz XJADQGVCDLAHQX-LLVKDONJSA-N 0 0 304.350 0.979 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCCC(=O)NC1CC1 ZINC000131285994 415930901 /nfs/dbraw/zinc/93/09/01/415930901.db2.gz KCTDGLSOXNOTQO-CYBMUJFWSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000132950418 415939397 /nfs/dbraw/zinc/93/93/97/415939397.db2.gz QDQNPMPUMZOPRH-HZPDHXFCSA-N 0 0 321.421 0.099 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000172447010 416045046 /nfs/dbraw/zinc/04/50/46/416045046.db2.gz PGDRSOCISHRPJE-ZIAGYGMSSA-N 0 0 311.426 0.649 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172763034 416047811 /nfs/dbraw/zinc/04/78/11/416047811.db2.gz IFICFGRJIKZBHN-AWEZNQCLSA-N 0 0 303.362 0.332 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172575552 416048235 /nfs/dbraw/zinc/04/82/35/416048235.db2.gz QYRDWWXVYDHOHU-QWRGUYRKSA-N 0 0 312.414 0.492 10 0 DCAERN O=C(Cc1ccccc1O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000357297583 416058023 /nfs/dbraw/zinc/05/80/23/416058023.db2.gz DMVWRGTWQYGNSX-AWEZNQCLSA-N 0 0 318.373 0.831 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173468591 416059119 /nfs/dbraw/zinc/05/91/19/416059119.db2.gz BKFSBLDFAJBOET-YPMHNXCESA-N 0 0 322.413 0.198 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1nnnc1C(C)C ZINC000173473513 416059132 /nfs/dbraw/zinc/05/91/32/416059132.db2.gz GNDWPLYJWPJFKZ-JTQLQIEISA-N 0 0 319.413 0.894 10 0 DCAERN CC(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 ZINC000357302992 416059684 /nfs/dbraw/zinc/05/96/84/416059684.db2.gz JVQSVPYFXCKPTP-LLVKDONJSA-N 0 0 310.398 0.260 10 0 DCAERN COc1c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)nn1C ZINC000173514149 416060755 /nfs/dbraw/zinc/06/07/55/416060755.db2.gz ANTVAPABNBYPLV-JTQLQIEISA-N 0 0 320.353 0.377 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n(C)c1 ZINC000173532472 416060765 /nfs/dbraw/zinc/06/07/65/416060765.db2.gz TXTWJVPMENDPJM-CYBMUJFWSA-N 0 0 317.349 0.868 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)NCc3ccccc3)CCO2)[nH]1 ZINC000173662185 416061240 /nfs/dbraw/zinc/06/12/40/416061240.db2.gz JGICWTUSDVGGEL-AWEZNQCLSA-N 0 0 315.377 0.803 10 0 DCAERN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173606515 416061854 /nfs/dbraw/zinc/06/18/54/416061854.db2.gz GPCRMVCWUDWHIC-STQMWFEESA-N 0 0 307.398 0.887 10 0 DCAERN CCOCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173720510 416063470 /nfs/dbraw/zinc/06/34/70/416063470.db2.gz AYVPBDVSNDBFGH-UHFFFAOYSA-N 0 0 311.386 0.632 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173792932 416065179 /nfs/dbraw/zinc/06/51/79/416065179.db2.gz SPZNQDHURHUVOR-ZDUSSCGKSA-N 0 0 308.382 0.908 10 0 DCAERN CCCS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174043253 416071431 /nfs/dbraw/zinc/07/14/31/416071431.db2.gz XWVPHAQRPOTCHR-NSHDSACASA-N 0 0 314.411 0.553 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N(CCO)CC(F)F)cn1 ZINC000357395322 416072753 /nfs/dbraw/zinc/07/27/53/416072753.db2.gz BXKVXEIIMRBNRE-UHFFFAOYSA-N 0 0 303.309 0.907 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)Nc3nncs3)C2=O)n1 ZINC000174130527 416073158 /nfs/dbraw/zinc/07/31/58/416073158.db2.gz NZZWSWGFTJGZKY-QMMMGPOBSA-N 0 0 321.366 0.589 10 0 DCAERN CCCS(=O)(=O)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000174175269 416074330 /nfs/dbraw/zinc/07/43/30/416074330.db2.gz OJTNNCXBYZJDNX-OAHLLOKOSA-N 0 0 318.483 0.998 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[C@H](C)CO ZINC000158815165 416002911 /nfs/dbraw/zinc/00/29/11/416002911.db2.gz NJEQELZERFCTKV-RKDXNWHRSA-N 0 0 314.363 0.427 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1C(N)=O ZINC000158823434 416002943 /nfs/dbraw/zinc/00/29/43/416002943.db2.gz SZNZUPYMZOMKQH-DTWKUNHWSA-N 0 0 316.379 0.089 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000356938807 416008399 /nfs/dbraw/zinc/00/83/99/416008399.db2.gz QHCQASQXTLTDAV-RWMBFGLXSA-N 0 0 311.426 0.469 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC000337803648 416010274 /nfs/dbraw/zinc/01/02/74/416010274.db2.gz GCUPMRQXSNMKFZ-UHFFFAOYSA-N 0 0 319.361 0.453 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000162553725 416015263 /nfs/dbraw/zinc/01/52/63/416015263.db2.gz WOXIQTHSXHTLBT-CHWSQXEVSA-N 0 0 318.416 0.742 10 0 DCAERN COc1c(C(=O)NC[C@H](C)N2CCCCC2=O)c(C)nn1C ZINC000357002602 416019201 /nfs/dbraw/zinc/01/92/01/416019201.db2.gz PEGGUEFCQXFMFR-JTQLQIEISA-N 0 0 308.382 0.868 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000166879581 416023606 /nfs/dbraw/zinc/02/36/06/416023606.db2.gz GSPHLGYUTFGPKU-LLVKDONJSA-N 0 0 311.288 0.640 10 0 DCAERN NC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2cccnn2)CC1 ZINC000170649608 416027946 /nfs/dbraw/zinc/02/79/46/416027946.db2.gz KOXFPLIJZYTLBC-HNNXBMFYSA-N 0 0 315.352 0.964 10 0 DCAERN CC[C@H](O)CN(CC(=O)NCCC(=O)OC)c1ccccc1 ZINC000170716509 416029860 /nfs/dbraw/zinc/02/98/60/416029860.db2.gz WTBSLYRTVTUATJ-AWEZNQCLSA-N 0 0 308.378 0.943 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000170814641 416033215 /nfs/dbraw/zinc/03/32/15/416033215.db2.gz NPMAOIQIZGEAHL-UHFFFAOYSA-N 0 0 318.370 0.552 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000170821856 416034657 /nfs/dbraw/zinc/03/46/57/416034657.db2.gz KJDKOLFVSSQWNQ-DOMZBBRYSA-N 0 0 317.389 0.982 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](OC)[C@@H](C)CC ZINC000357128691 416035599 /nfs/dbraw/zinc/03/55/99/416035599.db2.gz RCYXJRLXBMSEMZ-BJDJZHNGSA-N 0 0 316.398 0.620 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)cn1C ZINC000171432195 416037809 /nfs/dbraw/zinc/03/78/09/416037809.db2.gz XAOKXFHGXUKOHI-LBPRGKRZSA-N 0 0 309.395 0.988 10 0 DCAERN Cc1noc(CCNC(=O)NCCN2CCOC(C)(C)C2)n1 ZINC000171223218 416038852 /nfs/dbraw/zinc/03/88/52/416038852.db2.gz DUFYCYPIKZMRKA-UHFFFAOYSA-N 0 0 311.386 0.331 10 0 DCAERN NC(=O)Cn1cc(-c2nc(CCCc3ccccc3)no2)nn1 ZINC000174836491 416088908 /nfs/dbraw/zinc/08/89/08/416088908.db2.gz CGJZCMMKAUOOTA-UHFFFAOYSA-N 0 0 312.333 0.989 10 0 DCAERN CC[C@](C)(O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000174795932 416089069 /nfs/dbraw/zinc/08/90/69/416089069.db2.gz TWNROYSFNIKYIH-INIZCTEOSA-N 0 0 308.426 0.909 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000174928420 416089334 /nfs/dbraw/zinc/08/93/34/416089334.db2.gz SDDYFZAYXQNTQT-LBPRGKRZSA-N 0 0 318.377 0.905 10 0 DCAERN c1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nn2nnnc12 ZINC000301746801 416090297 /nfs/dbraw/zinc/09/02/97/416090297.db2.gz QIQNKUGAWYKOGD-CYBMUJFWSA-N 0 0 317.397 0.601 10 0 DCAERN COc1ccccc1NC(=O)CN1CCC(NC(N)=O)CC1 ZINC000174919430 416090817 /nfs/dbraw/zinc/09/08/17/416090817.db2.gz OVVVAMLFFIYGIE-UHFFFAOYSA-N 0 0 306.366 0.766 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@@H]([C@@H](C)O)C1 ZINC000301798079 416092225 /nfs/dbraw/zinc/09/22/25/416092225.db2.gz VBLUDTPJCBLMLY-GHMZBOCLSA-N 0 0 319.365 0.597 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCC1=O ZINC000174952919 416092375 /nfs/dbraw/zinc/09/23/75/416092375.db2.gz HBUBHSZWWUIUMS-GFCCVEGCSA-N 0 0 314.345 0.843 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cccn3C)C2=O)n(C)n1 ZINC000174995817 416092870 /nfs/dbraw/zinc/09/28/70/416092870.db2.gz QWTOJXJEGNRERJ-LBPRGKRZSA-N 0 0 315.377 0.992 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3CCOCC3)C2=O)n(C)n1 ZINC000175008305 416093940 /nfs/dbraw/zinc/09/39/40/416093940.db2.gz CKKXZAGGFLVUJG-ZDUSSCGKSA-N 0 0 320.393 0.767 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408384163 287324655 /nfs/dbraw/zinc/32/46/55/287324655.db2.gz YTRDFMRWJWDDDS-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCOC(C)C)CCN1CCOC ZINC000175119462 416097022 /nfs/dbraw/zinc/09/70/22/416097022.db2.gz SIKZYLGRPSMHQN-CQSZACIVSA-N 0 0 322.471 0.784 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175118051 416097647 /nfs/dbraw/zinc/09/76/47/416097647.db2.gz KDMXTKMZQFWYNC-GFCCVEGCSA-N 0 0 301.412 0.964 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000175315529 416101836 /nfs/dbraw/zinc/10/18/36/416101836.db2.gz QSMLDRFUDRQSGP-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN CCc1cnc(CCNS(=O)(=O)C[C@@H](C)C(=O)OC)s1 ZINC000175358425 416104176 /nfs/dbraw/zinc/10/41/76/416104176.db2.gz ISMMOBOGROQDJJ-SECBINFHSA-N 0 0 320.436 0.977 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)NCCc3cccnc3)CCO2)[nH]1 ZINC000175350812 416104740 /nfs/dbraw/zinc/10/47/40/416104740.db2.gz IBCORDYDWUJYEY-CYBMUJFWSA-N 0 0 316.365 0.834 10 0 DCAERN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@](O)(CO)C1 ZINC000313633422 416109345 /nfs/dbraw/zinc/10/93/45/416109345.db2.gz CIXCCVAEIRIISF-GFCCVEGCSA-N 0 0 305.783 0.848 10 0 DCAERN Cc1nccc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000175701940 416112697 /nfs/dbraw/zinc/11/26/97/416112697.db2.gz TTWZOMANBNKPDZ-SWLSCSKDSA-N 0 0 319.409 0.647 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCCN1CCOC[C@@H]1CO ZINC000317098262 416117783 /nfs/dbraw/zinc/11/77/83/416117783.db2.gz BBZJGYHOFMVHCO-LBPRGKRZSA-N 0 0 304.346 0.366 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000176034265 416118922 /nfs/dbraw/zinc/11/89/22/416118922.db2.gz XVZDUTHDCMSMLW-GFCCVEGCSA-N 0 0 301.412 0.077 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(Cc2nc3c(cccc3F)[nH]2)C[C@H]1O ZINC000328603545 416123496 /nfs/dbraw/zinc/12/34/96/416123496.db2.gz GKKTXSSMSCQZJD-VXGBXAGGSA-N 0 0 322.340 0.264 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000357738008 416124036 /nfs/dbraw/zinc/12/40/36/416124036.db2.gz BJQJKWACAPHANO-LBPRGKRZSA-N 0 0 310.398 0.261 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000176343511 416124235 /nfs/dbraw/zinc/12/42/35/416124235.db2.gz VHUUZTXZYDPFDN-LBPRGKRZSA-N 0 0 321.377 0.479 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000176327717 416124328 /nfs/dbraw/zinc/12/43/28/416124328.db2.gz ZDSYDPZVMPDBCM-VHSXEESVSA-N 0 0 308.386 0.451 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NCCc2cc(F)ccc2F)CCO1 ZINC000176456099 416126211 /nfs/dbraw/zinc/12/62/11/416126211.db2.gz XFICTLGOHWIFAK-LBPRGKRZSA-N 0 0 313.304 0.403 10 0 DCAERN COC(=O)CSCCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357756895 416127659 /nfs/dbraw/zinc/12/76/59/416127659.db2.gz WWVDFQSVBUMSJZ-SNVBAGLBSA-N 0 0 317.411 0.155 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)CN1CCOCC1 ZINC000176537893 416128262 /nfs/dbraw/zinc/12/82/62/416128262.db2.gz QLIRKUWYSWYLBD-OLZOCXBDSA-N 0 0 322.413 0.381 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176604983 416129108 /nfs/dbraw/zinc/12/91/08/416129108.db2.gz QFNKRMXXQFBJOD-LBPRGKRZSA-N 0 0 308.386 0.087 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C ZINC000176575906 416129997 /nfs/dbraw/zinc/12/99/97/416129997.db2.gz PBAHAXZPXBORCT-GSDQLPOLSA-N 0 0 301.416 0.806 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000176763482 416134547 /nfs/dbraw/zinc/13/45/47/416134547.db2.gz KETHZLORGZEBTQ-LBPRGKRZSA-N 0 0 305.338 0.990 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000176882545 416136248 /nfs/dbraw/zinc/13/62/48/416136248.db2.gz GSENBUZTDGCDPV-LBPRGKRZSA-N 0 0 321.343 0.951 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc(Cl)ccn1)CN1CCOCC1 ZINC000176904967 416137064 /nfs/dbraw/zinc/13/70/64/416137064.db2.gz YQKLCWCZVOUIKL-CQSZACIVSA-N 0 0 313.785 0.548 10 0 DCAERN CCn1c(C)nnc1CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177436791 416146583 /nfs/dbraw/zinc/14/65/83/416146583.db2.gz ABGPXGNRYAJXJA-UHFFFAOYSA-N 0 0 303.370 0.189 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)CCC1=O ZINC000177540153 416147444 /nfs/dbraw/zinc/14/74/44/416147444.db2.gz FQPNQIIHYUUQLD-CHWSQXEVSA-N 0 0 305.382 0.678 10 0 DCAERN CNC(=O)Cc1nc(CN(C)CC(=O)NC(C)(C)C)cs1 ZINC000177548644 416148069 /nfs/dbraw/zinc/14/80/69/416148069.db2.gz LFIPDRCRQMKXGV-UHFFFAOYSA-N 0 0 312.439 0.778 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000177606266 416148187 /nfs/dbraw/zinc/14/81/87/416148187.db2.gz QTWHNPWCWBLJMF-UONOGXRCSA-N 0 0 319.405 0.847 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000177692206 416149010 /nfs/dbraw/zinc/14/90/10/416149010.db2.gz RLIWMUVBQFMFRB-LLVKDONJSA-N 0 0 314.349 0.470 10 0 DCAERN O=S(=O)(Cc1ccn(-c2ccc(F)cc2)n1)C[C@H](O)CO ZINC000177670607 416149213 /nfs/dbraw/zinc/14/92/13/416149213.db2.gz VMJDWKMFVUXEOW-CYBMUJFWSA-N 0 0 314.338 0.279 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357921938 416152803 /nfs/dbraw/zinc/15/28/03/416152803.db2.gz WRSUXWXFPDVGLU-LBPRGKRZSA-N 0 0 318.439 0.671 10 0 DCAERN CCC[C@@H](O)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000177873224 416153120 /nfs/dbraw/zinc/15/31/20/416153120.db2.gz CATKRYSMKMHXIQ-CYBMUJFWSA-N 0 0 322.409 0.979 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151092041 196628591 /nfs/dbraw/zinc/62/85/91/196628591.db2.gz OQDWCNXXLXFXRB-JSGCOSHPSA-N 0 0 316.423 0.176 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(CNC(C)=O)s1)C(C)C ZINC000178718962 416170394 /nfs/dbraw/zinc/17/03/94/416170394.db2.gz VVMSQUKTXXNMJV-GFCCVEGCSA-N 0 0 311.407 0.885 10 0 DCAERN CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ncc(C)cn1 ZINC000358034025 416173037 /nfs/dbraw/zinc/17/30/37/416173037.db2.gz MMGUNXKGNUEVTK-CYBMUJFWSA-N 0 0 321.425 0.767 10 0 DCAERN O=C(N[C@@H]1CCOC1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178939045 416177764 /nfs/dbraw/zinc/17/77/64/416177764.db2.gz FJYYYYWVYXXELS-ZYHUDNBSSA-N 0 0 310.375 0.993 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1c(C)nn(C)c1C ZINC000179243422 416183923 /nfs/dbraw/zinc/18/39/23/416183923.db2.gz RAQGSSTVIPATRP-CYBMUJFWSA-N 0 0 307.398 0.499 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000358072766 416188031 /nfs/dbraw/zinc/18/80/31/416188031.db2.gz ZJDHFIWZWWEXDF-AWEZNQCLSA-N 0 0 324.402 0.711 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1cccc(-n2cncn2)c1 ZINC000179572572 416191346 /nfs/dbraw/zinc/19/13/46/416191346.db2.gz USGNBVVBBXJKLP-UHFFFAOYSA-N 0 0 302.338 0.268 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000358110607 416193720 /nfs/dbraw/zinc/19/37/20/416193720.db2.gz SOYXDBOWSWXKNV-WHOHXGKFSA-N 0 0 304.412 0.771 10 0 DCAERN CCN(CC)C(=O)C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180242826 416196316 /nfs/dbraw/zinc/19/63/16/416196316.db2.gz IPPTUMSWPKTUNM-LJQANCHMSA-N 0 0 304.441 0.721 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC[C@@H]1CO ZINC000330202412 416198076 /nfs/dbraw/zinc/19/80/76/416198076.db2.gz ZGKFMLPSTBWSOZ-UONOGXRCSA-N 0 0 318.439 0.564 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000330325028 416200834 /nfs/dbraw/zinc/20/08/34/416200834.db2.gz IYNTUIKEYSZOBI-JHTDMNASSA-N 0 0 318.464 0.525 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181323586 416205546 /nfs/dbraw/zinc/20/55/46/416205546.db2.gz FNHUEUSACYVSDB-AWEZNQCLSA-N 0 0 321.425 0.445 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cccc(C(N)=O)c2)cn1 ZINC000181328621 416205713 /nfs/dbraw/zinc/20/57/13/416205713.db2.gz YPTNVWSFLFLGGP-AWEZNQCLSA-N 0 0 313.361 0.306 10 0 DCAERN CNC(=O)[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000181502063 416208131 /nfs/dbraw/zinc/20/81/31/416208131.db2.gz YPIIIKHMRZOOEC-RSPDNQDQSA-N 0 0 310.375 0.434 10 0 DCAERN O=C(CCNC(=O)NCCc1cn[nH]c1)NCc1ccccc1 ZINC000358191746 416208526 /nfs/dbraw/zinc/20/85/26/416208526.db2.gz XMFSHBOJMRSPEU-UHFFFAOYSA-N 0 0 315.377 0.958 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000358192449 416209606 /nfs/dbraw/zinc/20/96/06/416209606.db2.gz PYMWLBSIGAYMAC-CYBMUJFWSA-N 0 0 315.439 0.372 10 0 DCAERN CCCCc1noc([C@H](C)[S@](=O)CCCS(N)(=O)=O)n1 ZINC000358211893 416212460 /nfs/dbraw/zinc/21/24/60/416212460.db2.gz OTPWXCNTCKGURD-ZRNGKTOUSA-N 0 0 323.440 0.901 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182694768 416228375 /nfs/dbraw/zinc/22/83/75/416228375.db2.gz ULJKYXOHIDTASA-NSHDSACASA-N 0 0 309.370 0.353 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@H](NC(N)=O)c2cccs2)C1 ZINC000178137866 416157980 /nfs/dbraw/zinc/15/79/80/416157980.db2.gz NKNCHYUAXOLPOK-JTQLQIEISA-N 0 0 324.406 0.442 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2ccco2)C1 ZINC000345850812 416158690 /nfs/dbraw/zinc/15/86/90/416158690.db2.gz OJFOHWJLTCPWGG-JTQLQIEISA-N 0 0 301.368 0.280 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)NCCc1cn[nH]c1 ZINC000357947654 416159008 /nfs/dbraw/zinc/15/90/08/416159008.db2.gz HAPRAWROULFSSF-STQMWFEESA-N 0 0 312.370 0.072 10 0 DCAERN Nc1nsc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)n1 ZINC000329341115 416163539 /nfs/dbraw/zinc/16/35/39/416163539.db2.gz OTNDLZARAAIMPB-AEJSXWLSSA-N 0 0 309.395 0.194 10 0 DCAERN CC(C)[C@H](CNC(=O)NC[C@@H](CO)C1CC1)N1CCOCC1 ZINC000358460920 416241118 /nfs/dbraw/zinc/24/11/18/416241118.db2.gz FEQGVBMLRUUXOP-GJZGRUSLSA-N 0 0 313.442 0.661 10 0 DCAERN O=C(C1CC(=O)C1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000183543757 416245849 /nfs/dbraw/zinc/24/58/49/416245849.db2.gz BQFIBQARICCUJT-UHFFFAOYSA-N 0 0 318.377 0.960 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)s1 ZINC000190361467 416277862 /nfs/dbraw/zinc/27/78/62/416277862.db2.gz CPAQVQMQXIFVRJ-SNVBAGLBSA-N 0 0 324.406 0.771 10 0 DCAERN Cc1cc2c(cc1NC(=O)C(=O)NCc1ccn(C)n1)OCO2 ZINC000358818796 416277994 /nfs/dbraw/zinc/27/79/94/416277994.db2.gz DGVFDXLSBSXFIQ-UHFFFAOYSA-N 0 0 316.317 0.712 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000187522866 416260940 /nfs/dbraw/zinc/26/09/40/416260940.db2.gz DENRARDLALQNNU-CHWSQXEVSA-N 0 0 311.407 0.639 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187192158 416261287 /nfs/dbraw/zinc/26/12/87/416261287.db2.gz UQCUVIXRKDWIBZ-UONOGXRCSA-N 0 0 321.425 0.524 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C2CC2)C2CCCC2)CCN1CCO ZINC000187666451 416262338 /nfs/dbraw/zinc/26/23/38/416262338.db2.gz PFHVWZIUUCUKJP-CQSZACIVSA-N 0 0 309.454 0.918 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC(F)F)n1 ZINC000331115634 416267608 /nfs/dbraw/zinc/26/76/08/416267608.db2.gz LSBWAMLBAYBMFX-MRVPVSSYSA-N 0 0 304.322 1.008 10 0 DCAERN O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183117487 416236734 /nfs/dbraw/zinc/23/67/34/416236734.db2.gz BBQORGTVUKGZAI-CYBMUJFWSA-N 0 0 316.361 0.316 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)cc1 ZINC000183181478 416237169 /nfs/dbraw/zinc/23/71/69/416237169.db2.gz KTOQSCYVNBPERH-AYLIAGHASA-N 0 0 318.420 0.092 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000358440234 416237677 /nfs/dbraw/zinc/23/76/77/416237677.db2.gz ITNFSJTYEGHOIH-OUAUKWLOSA-N 0 0 304.337 0.767 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1nc[nH]n1 ZINC000183207251 416238151 /nfs/dbraw/zinc/23/81/51/416238151.db2.gz MWSVHOLGZJYDEI-ZCFIWIBFSA-N 0 0 304.763 0.540 10 0 DCAERN Cn1nc(Br)cc1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000192131392 416300528 /nfs/dbraw/zinc/30/05/28/416300528.db2.gz PIVCGBUTWWJTTL-ZETCQYMHSA-N 0 0 315.171 0.533 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCOC[C@@H]1C ZINC000192646051 416310024 /nfs/dbraw/zinc/31/00/24/416310024.db2.gz ZTXMWOWAFOSMLS-IHRRRGAJSA-N 0 0 314.426 0.953 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193719476 416318943 /nfs/dbraw/zinc/31/89/43/416318943.db2.gz CGCFCBDUNYEXPN-UHFFFAOYSA-N 0 0 310.741 0.268 10 0 DCAERN Cc1nnc([C@H]2Cc3ccccc3CN2CC(=O)NC(N)=O)o1 ZINC000193868927 416320069 /nfs/dbraw/zinc/32/00/69/416320069.db2.gz ALMKDHLMVNNAMF-GFCCVEGCSA-N 0 0 315.333 0.672 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358820191 416280358 /nfs/dbraw/zinc/28/03/58/416280358.db2.gz IQYZZACMJJUQRX-AWEZNQCLSA-N 0 0 305.378 0.646 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)c2nccnc2N)c1 ZINC000358841527 416282043 /nfs/dbraw/zinc/28/20/43/416282043.db2.gz QZIUXWMORWEMSH-UHFFFAOYSA-N 0 0 307.335 0.219 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191749534 416288747 /nfs/dbraw/zinc/28/87/47/416288747.db2.gz JAJRWZXQPFZOMB-VXGBXAGGSA-N 0 0 318.377 0.267 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000191810830 416289922 /nfs/dbraw/zinc/28/99/22/416289922.db2.gz YPJUVNCPRCZYEB-ZETCQYMHSA-N 0 0 318.299 0.867 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(N(C)c3cccnn3)CC2)C1 ZINC000191830466 416290835 /nfs/dbraw/zinc/29/08/35/416290835.db2.gz CTQJBKOWKDEMCY-UHFFFAOYSA-N 0 0 317.393 0.382 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCN(Cc2cocn2)CC1 ZINC000191949483 416293660 /nfs/dbraw/zinc/29/36/60/416293660.db2.gz FONPNRWBIWIYRD-UHFFFAOYSA-N 0 0 317.411 0.547 10 0 DCAERN CCOCCN1CCN(CC(=O)NCC(F)(F)F)C[C@H]1C ZINC000247229862 416332594 /nfs/dbraw/zinc/33/25/94/416332594.db2.gz REGSGBCIUYRXEQ-LLVKDONJSA-N 0 0 311.348 0.708 10 0 DCAERN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190767 416332665 /nfs/dbraw/zinc/33/26/65/416332665.db2.gz SROSOZACGAGQNS-NEPJUHHUSA-N 0 0 321.343 0.556 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000249857734 416334511 /nfs/dbraw/zinc/33/45/11/416334511.db2.gz DTPQZKIEGGGGOY-VXGBXAGGSA-N 0 0 323.397 0.155 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CO)CC1CCC1 ZINC000359340704 416342031 /nfs/dbraw/zinc/34/20/31/416342031.db2.gz LMOGBSMYVQGHNQ-CJNGLKHVSA-N 0 0 308.378 0.267 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629442 416323799 /nfs/dbraw/zinc/32/37/99/416323799.db2.gz IMDXOQPNMBGNDK-GFCCVEGCSA-N 0 0 311.407 0.315 10 0 DCAERN CCn1c(C)nnc1CN1CCN(S(=O)(=O)CC)CC1 ZINC000195123769 416325613 /nfs/dbraw/zinc/32/56/13/416325613.db2.gz CAVDPVVYPOMCIY-UHFFFAOYSA-N 0 0 301.416 0.074 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000195479246 416326461 /nfs/dbraw/zinc/32/64/61/416326461.db2.gz ZGLPBRHPJUDRBA-MFKMUULPSA-N 0 0 312.391 0.639 10 0 DCAERN CCS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000211746391 416327174 /nfs/dbraw/zinc/32/71/74/416327174.db2.gz QMVJRPGKGXPHOO-JTQLQIEISA-N 0 0 312.391 0.668 10 0 DCAERN CCCOCc1ccccc1CNC(=O)CN1CC(=O)N(C)C1 ZINC000360488591 416392743 /nfs/dbraw/zinc/39/27/43/416392743.db2.gz DBLKGTBCPIBYNF-UHFFFAOYSA-N 0 0 319.405 0.961 10 0 DCAERN CN(CCCOc1ccccc1)C(=O)CN1CC(=O)N(C)C1 ZINC000360489874 416392778 /nfs/dbraw/zinc/39/27/78/416392778.db2.gz HTGRPASKJPHGJE-UHFFFAOYSA-N 0 0 305.378 0.645 10 0 DCAERN Cc1cc2ncn(C[C@H](O)CN3CC(=O)N(C)C3)c2cc1C ZINC000360492491 416393276 /nfs/dbraw/zinc/39/32/76/416393276.db2.gz SHFFGUPEYSREER-CYBMUJFWSA-N 0 0 302.378 0.746 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000360507332 416393598 /nfs/dbraw/zinc/39/35/98/416393598.db2.gz MQLHATPPPKTBHJ-DGAVXFQQSA-N 0 0 321.421 0.903 10 0 DCAERN Cc1ccc([C@H](NC(=O)CN2C[C@@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000360502101 416393687 /nfs/dbraw/zinc/39/36/87/416393687.db2.gz BEXFXNWGXNHAKD-RYRKJORJSA-N 0 0 318.417 0.990 10 0 DCAERN CCCOc1ccc(CNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360502224 416393698 /nfs/dbraw/zinc/39/36/98/416393698.db2.gz CKWRHLXWXMFLEP-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)NCC1(O)CCOCC1 ZINC000360505500 416393846 /nfs/dbraw/zinc/39/38/46/416393846.db2.gz UZYLIIBMYNUJGX-UHFFFAOYSA-N 0 0 304.350 0.904 10 0 DCAERN COCCCS(=O)(=O)NCCCc1nnc2ccccn21 ZINC000360512230 416394220 /nfs/dbraw/zinc/39/42/20/416394220.db2.gz PRSDUPKICDXSCY-UHFFFAOYSA-N 0 0 312.395 0.618 10 0 DCAERN C[C@H]1C[C@@H](O)CN(C(=O)NCc2ccccc2OCCO)C1 ZINC000458428151 416467456 /nfs/dbraw/zinc/46/74/56/416467456.db2.gz NNKZOQLCTMLNPJ-GXTWGEPZSA-N 0 0 308.378 0.970 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](OC)C2)c1 ZINC000361675286 416475160 /nfs/dbraw/zinc/47/51/60/416475160.db2.gz LDOPMRHWOWBKEZ-LLVKDONJSA-N 0 0 313.379 0.847 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H](C)c2nnnn2C2CC2)CC1 ZINC000361749239 416489469 /nfs/dbraw/zinc/48/94/69/416489469.db2.gz JOPLHOQVGJDHJV-LLVKDONJSA-N 0 0 322.413 0.638 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC ZINC000361420901 416435335 /nfs/dbraw/zinc/43/53/35/416435335.db2.gz QAKZJLMLGSULGB-QZPNVGJNSA-N 0 0 301.368 0.596 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000361501745 416442132 /nfs/dbraw/zinc/44/21/32/416442132.db2.gz ANGOVQKNINNAGA-KBPBESRZSA-N 0 0 315.373 0.686 10 0 DCAERN NC(=O)Cn1cc(C(=O)Nc2ccc(N3CCCC3)nc2)nn1 ZINC000361521636 416443931 /nfs/dbraw/zinc/44/39/31/416443931.db2.gz GOMASIJANRGGOM-UHFFFAOYSA-N 0 0 315.337 0.011 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nnc(C)o2)c1 ZINC000532656435 416447480 /nfs/dbraw/zinc/44/74/80/416447480.db2.gz DZWCUYXVGWZYOD-QMMMGPOBSA-N 0 0 324.362 0.777 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532735747 416453079 /nfs/dbraw/zinc/45/30/79/416453079.db2.gz YUOOQYMHAITBQH-HZSPNIEDSA-N 0 0 301.383 0.570 10 0 DCAERN Cc1ccc(F)c(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000459068883 416521393 /nfs/dbraw/zinc/52/13/93/416521393.db2.gz QWSSICNQJUIGCK-CYBMUJFWSA-N 0 0 321.356 0.628 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459229735 416527700 /nfs/dbraw/zinc/52/77/00/416527700.db2.gz IWDQLPKGHUDETA-SCDSUCTJSA-N 0 0 319.340 0.633 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)Nc2ccc(O)c(OC)c2)n1 ZINC000436327711 416553950 /nfs/dbraw/zinc/55/39/50/416553950.db2.gz HESOIBLLOPECLX-UHFFFAOYSA-N 0 0 320.305 1.414 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434829245 416498458 /nfs/dbraw/zinc/49/84/58/416498458.db2.gz WTCTVLKGIHAGST-VIFPVBQESA-N 0 0 322.365 0.825 10 0 DCAERN O=C(NCCNc1cc[nH+]cc1)NCCOC[C@@H]1CCCO1 ZINC000534525625 416505076 /nfs/dbraw/zinc/50/50/76/416505076.db2.gz JFSKYFQBDXHJGO-AWEZNQCLSA-N 0 0 308.382 0.410 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccn(C(C)C)n2)[nH]n1 ZINC000361867452 416513695 /nfs/dbraw/zinc/51/36/95/416513695.db2.gz GUTLPSHVVUTTJO-SNVBAGLBSA-N 0 0 318.381 1.181 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000361872715 416515666 /nfs/dbraw/zinc/51/56/66/416515666.db2.gz INYBKXMRACVOPN-MNOVXSKESA-N 0 0 324.381 0.090 10 0 DCAERN Cn1c2ccccc2n(CC(=O)N2CC(n3ccnn3)C2)c1=O ZINC000361908579 416520855 /nfs/dbraw/zinc/52/08/55/416520855.db2.gz PUMZHZMMTLDWOO-UHFFFAOYSA-N 0 0 312.333 0.015 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CCCOCC3)CC2)n1 ZINC000540712692 416591681 /nfs/dbraw/zinc/59/16/81/416591681.db2.gz HGYNNNBSONKYEU-ZDUSSCGKSA-N 0 0 323.397 0.774 10 0 DCAERN COc1cc(NC(=O)c2coc(S(N)(=O)=O)c2)ccc1O ZINC000438127274 416594405 /nfs/dbraw/zinc/59/44/05/416594405.db2.gz LLXDSJKJKRBDFQ-UHFFFAOYSA-N 0 0 312.303 0.894 10 0 DCAERN C[C@@H](CN1C[C@@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076158 416615062 /nfs/dbraw/zinc/61/50/62/416615062.db2.gz XUNZTECICQYMFI-QWHCGFSZSA-N 0 0 305.440 0.937 10 0 DCAERN COc1ccc2c(c1)CCN(C(=O)CN1CCOCC1=O)CC2 ZINC000365699730 416606917 /nfs/dbraw/zinc/60/69/17/416606917.db2.gz DXUDWWSYBKXIRY-UHFFFAOYSA-N 0 0 318.373 0.481 10 0 DCAERN CCOCCO[C@H]1CCN(C(=O)c2cccc3ncnn32)C1 ZINC000541528938 416609178 /nfs/dbraw/zinc/60/91/78/416609178.db2.gz OKISMSNQTCFNFR-LBPRGKRZSA-N 0 0 304.350 0.997 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)c(C)c1 ZINC000436821583 416572185 /nfs/dbraw/zinc/57/21/85/416572185.db2.gz LSSYMGMKYMKNDN-MNOVXSKESA-N 0 0 322.361 0.887 10 0 DCAERN COC[C@H](NC(=O)Cn1cccnc1=O)c1ccc(F)cc1 ZINC000437399264 416583351 /nfs/dbraw/zinc/58/33/51/416583351.db2.gz ZSNWFDWABATSLQ-ZDUSSCGKSA-N 0 0 305.309 0.886 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2cn(C)c(=O)[nH]c2=O)no1 ZINC000441703522 416680003 /nfs/dbraw/zinc/68/00/03/416680003.db2.gz SDPSFBVFOXSAMQ-UHFFFAOYSA-N 0 0 307.310 0.096 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@H]2CCn3ccnc3C2)n1 ZINC000547667468 416682278 /nfs/dbraw/zinc/68/22/78/416682278.db2.gz DRWIMPXMRDEAPC-JTQLQIEISA-N 0 0 303.370 1.366 10 0 DCAERN O=C(CC(=O)N1CC(F)(F)C[C@@H]1CO)NCC(F)(F)F ZINC000366678329 416635358 /nfs/dbraw/zinc/63/53/58/416635358.db2.gz LMLOXICGMSWZQO-ZCFIWIBFSA-N 0 0 304.215 0.284 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)[C@@H](C)NC(C)=O)(C(=O)OC)C1(C)C ZINC000440852966 416651243 /nfs/dbraw/zinc/65/12/43/416651243.db2.gz ZDZKKODIJLCISI-OSQNNJELSA-N 0 0 314.382 0.374 10 0 DCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC(F)C1 ZINC000544297481 416653698 /nfs/dbraw/zinc/65/36/98/416653698.db2.gz JSEBQHNIXVVRIH-UHFFFAOYSA-N 0 0 312.389 0.294 10 0 DCAERN CCCNC(=O)CN(CCC)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000441402727 416672743 /nfs/dbraw/zinc/67/27/43/416672743.db2.gz JPEHENQWUKQYMS-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN COCCN1CCN(C(=O)NCCc2cccc(OC)n2)CC1 ZINC000441472365 416673653 /nfs/dbraw/zinc/67/36/53/416673653.db2.gz XIANNLUBXKCLGR-UHFFFAOYSA-N 0 0 322.409 0.606 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCSCC1)n1cncn1 ZINC000369283832 416742382 /nfs/dbraw/zinc/74/23/82/416742382.db2.gz FHZLEDQHDXIBIP-RYUDHWBXSA-N 0 0 323.422 0.406 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000442122397 416687771 /nfs/dbraw/zinc/68/77/71/416687771.db2.gz XCEVPALSXRFCGL-CMPLNLGQSA-N 0 0 306.366 0.599 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCC(n3ccnn3)CC2)n1 ZINC000548649818 416689991 /nfs/dbraw/zinc/68/99/91/416689991.db2.gz HWLQUTVEECEHDG-UHFFFAOYSA-N 0 0 318.385 1.494 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)c(F)c1 ZINC000425298389 416692036 /nfs/dbraw/zinc/69/20/36/416692036.db2.gz WUKWBDBFTQERIA-CYBMUJFWSA-N 0 0 324.352 0.451 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)C(C)C ZINC000551978308 416697225 /nfs/dbraw/zinc/69/72/25/416697225.db2.gz HMWSFGQHJYFLCM-OCCSQVGLSA-N 0 0 319.409 0.926 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2cc3ccccn3n2)C1 ZINC000554416484 416706549 /nfs/dbraw/zinc/70/65/49/416706549.db2.gz HLDDKUOQVOQYCV-LLVKDONJSA-N 0 0 316.365 1.260 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCN2CCOC[C@H]2C1 ZINC000554548590 416708337 /nfs/dbraw/zinc/70/83/37/416708337.db2.gz JCOGBVCTHFKILW-CYBMUJFWSA-N 0 0 305.382 0.768 10 0 DCAERN CN1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000369149759 416727090 /nfs/dbraw/zinc/72/70/90/416727090.db2.gz QMLMDBAEAQIRMY-AWEZNQCLSA-N 0 0 302.378 0.749 10 0 DCAERN O=C(NCCNc1ccccn1)C(=O)Nc1ccc2nccn2c1 ZINC000557354736 416730584 /nfs/dbraw/zinc/73/05/84/416730584.db2.gz LQLOYJRFIKJIQQ-UHFFFAOYSA-N 0 0 324.344 0.896 10 0 DCAERN CCn1cc([C@@H]2OCC[C@H]2NC(=O)C2CN(C(C)=O)C2)cn1 ZINC000623155211 416761026 /nfs/dbraw/zinc/76/10/26/416761026.db2.gz RVRVZMYFJAJHIB-KGLIPLIRSA-N 0 0 306.366 0.328 10 0 DCAERN CC(=O)CSCC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000426351787 416763960 /nfs/dbraw/zinc/76/39/60/416763960.db2.gz JTUIYKGLWGBEBS-UHFFFAOYSA-N 0 0 310.423 0.387 10 0 DCAERN COC(=O)[C@@H](NC(=O)Cn1nc(C)cc1C)c1cccnc1 ZINC000558374769 416766760 /nfs/dbraw/zinc/76/67/60/416766760.db2.gz UYBLRMOTCDDPKO-AWEZNQCLSA-N 0 0 302.334 0.925 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C)OC)c1 ZINC000443567730 416770069 /nfs/dbraw/zinc/77/00/69/416770069.db2.gz DTBHPVBRAGFJDW-SECBINFHSA-N 0 0 301.368 0.751 10 0 DCAERN COc1cccc(CCNC(=O)N(C[C@@H](C)O)[C@H](C)CO)n1 ZINC000443619398 416772050 /nfs/dbraw/zinc/77/20/50/416772050.db2.gz HBTVPUVOLPZCGU-VXGBXAGGSA-N 0 0 311.382 0.406 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC2(CCO2)CC1 ZINC000558647003 416783070 /nfs/dbraw/zinc/78/30/70/416783070.db2.gz YFWWBXBFSMHNJR-UHFFFAOYSA-N 0 0 306.366 0.757 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2CCNC[C@](C)(F)C2)c(=O)[nH]1 ZINC000517142715 416783513 /nfs/dbraw/zinc/78/35/13/416783513.db2.gz WQUKVOWMJHJNBI-HNNXBMFYSA-N 0 0 310.373 0.892 10 0 DCAERN C[C@H](CNC(=O)c1ccnc2c1nnn2C)N1CCCCC1=O ZINC000558716353 416791338 /nfs/dbraw/zinc/79/13/38/416791338.db2.gz PIYACVZZSBPKMU-SNVBAGLBSA-N 0 0 316.365 0.494 10 0 DCAERN O=C(CNC(=O)C1CC1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000558922601 416798992 /nfs/dbraw/zinc/79/89/92/416798992.db2.gz FJUOCSJMAUDOOZ-OCCSQVGLSA-N 0 0 310.394 0.197 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](COC)C1)CC2 ZINC000369606417 416800832 /nfs/dbraw/zinc/80/08/32/416800832.db2.gz BAFXDAJJWHTIEW-NEPJUHHUSA-N 0 0 307.398 0.833 10 0 DCAERN CSc1ccccc1S(=O)(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000444209718 416815985 /nfs/dbraw/zinc/81/59/85/416815985.db2.gz DJPPQABJOUSCFC-SECBINFHSA-N 0 0 315.420 0.840 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N(C)CC1CC1)C2 ZINC000559589786 416816694 /nfs/dbraw/zinc/81/66/94/416816694.db2.gz OHTHASQAIRNIGD-ZDUSSCGKSA-N 0 0 302.378 0.627 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000369744045 416825172 /nfs/dbraw/zinc/82/51/72/416825172.db2.gz CEXYDYDUZGTFPV-MROQNXINSA-N 0 0 313.398 0.474 10 0 DCAERN CCO[C@H]1C[C@](NCc2nnc(C)n2C)(C(=O)OC)C1(C)C ZINC000444746943 416865638 /nfs/dbraw/zinc/86/56/38/416865638.db2.gz GRFASAWRPGCCNM-NHYWBVRUSA-N 0 0 310.398 0.960 10 0 DCAERN CCO[C@H]1C[C@](NCCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762172 416868808 /nfs/dbraw/zinc/86/88/08/416868808.db2.gz YTOUJWXAWQDNQX-NHYWBVRUSA-N 0 0 300.399 0.801 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCN1CCCS1(=O)=O ZINC000615628563 416873212 /nfs/dbraw/zinc/87/32/12/416873212.db2.gz BEJVRYLBDJFIDY-AVGNSLFASA-N 0 0 316.423 0.295 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000518818408 416880264 /nfs/dbraw/zinc/88/02/64/416880264.db2.gz BLWOOMNNRDXKBX-AAEUAGOBSA-N 0 0 301.346 0.434 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000564333410 416888774 /nfs/dbraw/zinc/88/87/74/416888774.db2.gz MMAKVQNBIGXEEL-LBPRGKRZSA-N 0 0 311.349 0.708 10 0 DCAERN c1cc(NC[C@@H]2COC3(CCCC3)O2)nc(N2CCOCC2)n1 ZINC000370374852 416892898 /nfs/dbraw/zinc/89/28/98/416892898.db2.gz PJMJCGVGRVZCRO-CYBMUJFWSA-N 0 0 320.393 1.411 10 0 DCAERN O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000369903478 416846017 /nfs/dbraw/zinc/84/60/17/416846017.db2.gz YNHQDCNWUAYPDU-WFASDCNBSA-N 0 0 316.357 0.831 10 0 DCAERN Cc1csc2ncc(C(=O)N3C[C@H](F)C[C@H]3CO)c(=O)n12 ZINC000444542300 416846415 /nfs/dbraw/zinc/84/64/15/416846415.db2.gz DBWVMPFXZPNCIP-BDAKNGLRSA-N 0 0 311.338 0.609 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCOC2)cc1F ZINC000615756898 416899730 /nfs/dbraw/zinc/89/97/30/416899730.db2.gz ANBRCZUGVBPKHP-UHFFFAOYSA-N 0 0 315.322 0.618 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1N1CCOCC1 ZINC000372017135 416925400 /nfs/dbraw/zinc/92/54/00/416925400.db2.gz LOZRLFIUPHXFMI-MGPQQGTHSA-N 0 0 309.410 0.082 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(F)cn2)[nH]n1 ZINC000446591627 416936776 /nfs/dbraw/zinc/93/67/76/416936776.db2.gz HYUUTWBZBOLERH-MRVPVSSYSA-N 0 0 305.313 0.938 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615939400 416940236 /nfs/dbraw/zinc/94/02/36/416940236.db2.gz WAGTWIAHEDNGSI-RDQDRAATSA-N 0 0 301.412 0.683 10 0 DCAERN O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccnnc1 ZINC000446781551 416949030 /nfs/dbraw/zinc/94/90/30/416949030.db2.gz BTRRKEJVIVVEAJ-UHFFFAOYSA-N 0 0 310.317 0.980 10 0 DCAERN CCn1nccc1NC(=O)C(=O)NCCc1cccc(OC)n1 ZINC000446820829 416951847 /nfs/dbraw/zinc/95/18/47/416951847.db2.gz HYBYOAUWNILYNQ-UHFFFAOYSA-N 0 0 317.349 0.604 10 0 DCAERN Cc1ccc(C(=O)C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000447743041 417022240 /nfs/dbraw/zinc/02/22/40/417022240.db2.gz FZRPCMZLCKGADU-MRXNPFEDSA-N 0 0 315.329 0.378 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2ncccc21 ZINC000447127494 416967870 /nfs/dbraw/zinc/96/78/70/416967870.db2.gz DJBBBVXQKMANDH-UWVGGRQHSA-N 0 0 317.349 0.893 10 0 DCAERN Cc1ccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)c(=O)n1C ZINC000567421638 417062222 /nfs/dbraw/zinc/06/22/22/417062222.db2.gz FWGNLPIGPDDHDP-UHFFFAOYSA-N 0 0 318.381 1.362 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000448357189 417072698 /nfs/dbraw/zinc/07/26/98/417072698.db2.gz XFPSTXXYPAHOGC-UHFFFAOYSA-N 0 0 324.348 1.331 10 0 DCAERN COC[C@@H](O)CN1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000378322339 417079719 /nfs/dbraw/zinc/07/97/19/417079719.db2.gz VYVNHYVWPMNBHL-ZDUSSCGKSA-N 0 0 314.407 0.276 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2cncnc2)C1 ZINC000616600902 417084182 /nfs/dbraw/zinc/08/41/82/417084182.db2.gz CSDHUAQXBQRFMB-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616650946 417086580 /nfs/dbraw/zinc/08/65/80/417086580.db2.gz HJUBDZPQMMTKDN-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN C[C@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)N1C(=O)CCC1=O ZINC000523691540 417088766 /nfs/dbraw/zinc/08/87/66/417088766.db2.gz HIIMKFHDNJLDMW-SECBINFHSA-N 0 0 313.317 0.948 10 0 DCAERN CCOC(=O)c1ccc([C@H]2CN(S(C)(=O)=O)CCN2)cc1 ZINC000616654280 417089851 /nfs/dbraw/zinc/08/98/51/417089851.db2.gz PRBOPIGIZWNCBL-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616665311 417091249 /nfs/dbraw/zinc/09/12/49/417091249.db2.gz RRSUTXQMHQDHCD-SNVBAGLBSA-N 0 0 308.400 0.861 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CCOCCN1S(N)(=O)=O ZINC000616660719 417091301 /nfs/dbraw/zinc/09/13/01/417091301.db2.gz WLHNHGHCCVPJDA-SNVBAGLBSA-N 0 0 323.415 0.196 10 0 DCAERN CCc1nc(CC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cs1 ZINC000616769599 417108452 /nfs/dbraw/zinc/10/84/52/417108452.db2.gz HIESTSUAQJACDT-SUNKGSAMSA-N 0 0 306.391 0.935 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000408027839 417131993 /nfs/dbraw/zinc/13/19/93/417131993.db2.gz MVEVMYUTIFUNSB-RYUDHWBXSA-N 0 0 315.395 0.385 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)C1(F)F ZINC000408037019 417132495 /nfs/dbraw/zinc/13/24/95/417132495.db2.gz XOIDQMRWDOGESH-SCVCMEIPSA-N 0 0 300.309 0.533 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N=c3cc[nH][nH]3)no2)CCCC1 ZINC000435107797 287358902 /nfs/dbraw/zinc/35/89/02/287358902.db2.gz ISKRYCVUZRQGLV-UHFFFAOYSA-N 0 0 303.322 0.650 10 0 DCAERN Nc1nccc([C@@H]2CCCN(S(=O)(=O)CC(F)(F)F)C2)n1 ZINC000408114451 417139251 /nfs/dbraw/zinc/13/92/51/417139251.db2.gz FQVNBMXKGIYXCI-MRVPVSSYSA-N 0 0 324.328 1.130 10 0 DCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408074448 417139522 /nfs/dbraw/zinc/13/95/22/417139522.db2.gz UAQWTXGQCILPTJ-ZJUUUORDSA-N 0 0 303.380 0.221 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1 ZINC000408205794 417149438 /nfs/dbraw/zinc/14/94/38/417149438.db2.gz ROGAAHDWVRNNCK-QJPTWQEYSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C)n2)CCS1 ZINC000408268143 417151226 /nfs/dbraw/zinc/15/12/26/417151226.db2.gz JYZKULTXAHDVMU-SNVBAGLBSA-N 0 0 310.423 1.541 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000408252020 417151309 /nfs/dbraw/zinc/15/13/09/417151309.db2.gz KXANMWCPXUMXIW-LRDDRELGSA-N 0 0 322.409 0.307 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000408271893 417152123 /nfs/dbraw/zinc/15/21/23/417152123.db2.gz SLHUWHHDYCSZNZ-IVMMDQJWSA-N 0 0 316.405 0.764 10 0 DCAERN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000408315913 417154706 /nfs/dbraw/zinc/15/47/06/417154706.db2.gz MGZYIWNDUVVZAG-NEPJUHHUSA-N 0 0 302.440 0.799 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1OC ZINC000408360228 417156098 /nfs/dbraw/zinc/15/60/98/417156098.db2.gz SESLIGHHJLRGQW-LJISPDSOSA-N 0 0 312.410 0.502 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1N1CC[C@H](C)[C@@H](O)C1 ZINC000408394523 417159526 /nfs/dbraw/zinc/15/95/26/417159526.db2.gz KVUVTIHVCVHMQM-RYUDHWBXSA-N 0 0 313.423 0.975 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000432311998 417171309 /nfs/dbraw/zinc/17/13/09/417171309.db2.gz MZFRPMPMGFBZEV-LLVKDONJSA-N 0 0 319.365 0.561 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCn1ncnn1)CC2 ZINC000526021538 417174094 /nfs/dbraw/zinc/17/40/94/417174094.db2.gz VBVUITGMSJMPRD-JTQLQIEISA-N 0 0 303.370 0.441 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cc(-c2ccccc2)nn1C ZINC000450101127 417200485 /nfs/dbraw/zinc/20/04/85/417200485.db2.gz CFNMOBCCFCRGJJ-UHFFFAOYSA-N 0 0 311.349 0.883 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)n2)O1 ZINC000450115987 417200964 /nfs/dbraw/zinc/20/09/64/417200964.db2.gz QRZKRBMCSVBRKL-APPZFPTMSA-N 0 0 317.267 0.863 10 0 DCAERN C[C@@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1C(=O)CCC1=O ZINC000527026543 417203472 /nfs/dbraw/zinc/20/34/72/417203472.db2.gz RHAOAECYHZYTJC-ZBEGNZNMSA-N 0 0 324.377 0.320 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C(C)C)c1 ZINC000527086222 417213975 /nfs/dbraw/zinc/21/39/75/417213975.db2.gz AGJWKKRDHFYIPJ-UHFFFAOYSA-N 0 0 313.379 0.400 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432918 417228878 /nfs/dbraw/zinc/22/88/78/417228878.db2.gz IRNDQHXQEIDWFJ-MRXNPFEDSA-N 0 0 308.353 0.810 10 0 DCAERN COC(=O)c1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000450493076 417232898 /nfs/dbraw/zinc/23/28/98/417232898.db2.gz ZIRYPGHGCFQERH-UHFFFAOYSA-N 0 0 300.318 0.691 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cc(C)nc(COC)n2)CC12COC2 ZINC000450574335 417238857 /nfs/dbraw/zinc/23/88/57/417238857.db2.gz ZZVGCSBNOGNFKF-GFCCVEGCSA-N 0 0 321.377 0.947 10 0 DCAERN CCO[C@H]1C[C@](O)(CNC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451110053 417298343 /nfs/dbraw/zinc/29/83/43/417298343.db2.gz BUEGNLDLUWBFAW-BBRMVZONSA-N 0 0 309.410 0.953 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131899 417301281 /nfs/dbraw/zinc/30/12/81/417301281.db2.gz HSXAZULNBVMKOI-SECBINFHSA-N 0 0 324.299 0.176 10 0 DCAERN COC[C@@]1(C(N)=O)CCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763120 417339591 /nfs/dbraw/zinc/33/95/91/417339591.db2.gz SYGIDUNTVLTERL-MRXNPFEDSA-N 0 0 322.361 0.890 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)COc1cnn(C)c1 ZINC000570767851 417389945 /nfs/dbraw/zinc/38/99/45/417389945.db2.gz QMYNNFOZAFPRDW-UHFFFAOYSA-N 0 0 307.310 0.646 10 0 DCAERN CCOC(=O)COCCNS(=O)(=O)c1ccc(F)cc1C ZINC000451783950 417398807 /nfs/dbraw/zinc/39/88/07/417398807.db2.gz XMLICNCLVVLZSA-UHFFFAOYSA-N 0 0 319.354 0.992 10 0 DCAERN CC[C@H](NC(C)=O)C(=O)NCc1nn(C)cc1Br ZINC000633307004 417405220 /nfs/dbraw/zinc/40/52/20/417405220.db2.gz VRBDPFFEFDHHDN-VIFPVBQESA-N 0 0 317.187 0.714 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@H](O)[C@@H]2CCCO2)cn1 ZINC000529118862 417421002 /nfs/dbraw/zinc/42/10/02/417421002.db2.gz DLLNJOUTCNCEFC-STQMWFEESA-N 0 0 322.365 0.726 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@H]2CCc3nc(COC)nn3C2)C1=O ZINC000571118413 417422848 /nfs/dbraw/zinc/42/28/48/417422848.db2.gz NYPJIOFXMIBPMQ-WZQADMAKSA-N 0 0 319.365 0.626 10 0 DCAERN O=C(C1CN(CC(F)F)C1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000622329853 417428327 /nfs/dbraw/zinc/42/83/27/417428327.db2.gz ZSTCVEBRSXWKGW-LLVKDONJSA-N 0 0 316.352 0.200 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000570622247 417372533 /nfs/dbraw/zinc/37/25/33/417372533.db2.gz JYBIGNJEMONMIV-SECBINFHSA-N 0 0 302.334 0.795 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@](C)(O)C2CCC2)CC12COC2 ZINC000452613205 417493320 /nfs/dbraw/zinc/49/33/20/417493320.db2.gz MRNSZAVNVUGBET-IUODEOHRSA-N 0 0 311.378 0.576 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CC12COC2 ZINC000452224530 417459579 /nfs/dbraw/zinc/45/95/79/417459579.db2.gz PIMSUMQXZBRLFR-NWDGAFQWSA-N 0 0 324.377 0.083 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccc(C)nc2)CC12COC2 ZINC000452262689 417462352 /nfs/dbraw/zinc/46/23/52/417462352.db2.gz MNBVCMICNLWEBC-CQSZACIVSA-N 0 0 318.373 0.971 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ncoc2CC)CC12COC2 ZINC000452258820 417462636 /nfs/dbraw/zinc/46/26/36/417462636.db2.gz IVEHUUJXAJNCFI-SNVBAGLBSA-N 0 0 308.334 0.889 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)CC12COC2 ZINC000452269647 417463867 /nfs/dbraw/zinc/46/38/67/417463867.db2.gz YDDGLXXAWDSZEZ-LBPRGKRZSA-N 0 0 319.361 0.939 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CC12COC2 ZINC000452269278 417465111 /nfs/dbraw/zinc/46/51/11/417465111.db2.gz XNOYAVSDMDYHBU-VXGBXAGGSA-N 0 0 324.377 0.083 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000633625797 417466460 /nfs/dbraw/zinc/46/64/60/417466460.db2.gz ITPJSBVKHPQMBF-JLLWLGSASA-N 0 0 302.396 0.079 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000633641782 417470058 /nfs/dbraw/zinc/47/00/58/417470058.db2.gz OSDLCSMWSRUORB-STQMWFEESA-N 0 0 310.398 0.212 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N[C@H](C)CC(N)=O)c2=O ZINC000439323285 287385992 /nfs/dbraw/zinc/38/59/92/287385992.db2.gz MNHXKKNNJAMUIP-MRVPVSSYSA-N 0 0 303.318 0.530 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC(Cn2cnnc2)CC1)C(C)C ZINC000628001074 417555635 /nfs/dbraw/zinc/55/56/35/417555635.db2.gz NJFOEYRARLTVGV-CQSZACIVSA-N 0 0 307.398 0.677 10 0 DCAERN CCN1C[C@H](NC(=O)c2cccc(S(=O)(=O)CC)c2)CC1=O ZINC000452948687 417509736 /nfs/dbraw/zinc/50/97/36/417509736.db2.gz JLUMDGCPLOYFJZ-GFCCVEGCSA-N 0 0 324.402 0.831 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000622986268 417521840 /nfs/dbraw/zinc/52/18/40/417521840.db2.gz WCIPWAJBEGVUCI-HNNXBMFYSA-N 0 0 315.373 0.681 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)SC)CC12COC2 ZINC000454703726 417578412 /nfs/dbraw/zinc/57/84/12/417578412.db2.gz AECXUZDOXSAYNP-MNOVXSKESA-N 0 0 316.423 0.959 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000530467657 417579268 /nfs/dbraw/zinc/57/92/68/417579268.db2.gz JOHPCVLFZFNWLC-IJLUTSLNSA-N 0 0 319.423 0.652 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1nccnc1C(N)=O ZINC000530583779 417583905 /nfs/dbraw/zinc/58/39/05/417583905.db2.gz MHWGMNAWKZUOPX-VIFPVBQESA-N 0 0 306.322 0.132 10 0 DCAERN Cn1nc(NC(=O)CN2CCCC[C@H](O)C2=O)cc1C1CC1 ZINC000644484215 417595145 /nfs/dbraw/zinc/59/51/45/417595145.db2.gz AVLGHYBDNKDYJU-LBPRGKRZSA-N 0 0 306.366 0.609 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCC(O)CC1 ZINC000439741767 287388375 /nfs/dbraw/zinc/38/83/75/287388375.db2.gz FBIVBRBTMKERHD-UHFFFAOYSA-N 0 0 317.345 0.345 10 0 DCAERN c1ncn(-c2ccccc2CN2CCN(c3nccnn3)CC2)n1 ZINC000628388555 417616931 /nfs/dbraw/zinc/61/69/31/417616931.db2.gz RHXOGHHIWQHCIT-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)Nc1cncnc1 ZINC000440221358 287394649 /nfs/dbraw/zinc/39/46/49/287394649.db2.gz YGIPQRFSMLHYEA-CYBMUJFWSA-N 0 0 314.349 0.902 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)N[C@@H]1CCC(=O)NC1 ZINC000439965599 287391943 /nfs/dbraw/zinc/39/19/43/287391943.db2.gz GXNIHHGUZNTNGD-LLVKDONJSA-N 0 0 302.334 0.823 10 0 DCAERN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCOCC1=O ZINC000456142736 417626956 /nfs/dbraw/zinc/62/69/56/417626956.db2.gz BXTGHSLVLYJNAC-NEPJUHHUSA-N 0 0 312.366 0.083 10 0 DCAERN COCC(COC)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000456237771 417636353 /nfs/dbraw/zinc/63/63/53/417636353.db2.gz SMSDJXPJPRNGLM-UHFFFAOYSA-N 0 0 304.350 0.723 10 0 DCAERN O=C(Nc1cc(C2CC2)[nH]n1)C(=O)Nc1ccc2nccn2c1 ZINC000578479337 417685964 /nfs/dbraw/zinc/68/59/64/417685964.db2.gz ZXAJXOXZDJWLAF-UHFFFAOYSA-N 0 0 310.317 1.512 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC000580348363 417700001 /nfs/dbraw/zinc/70/00/01/417700001.db2.gz NNMFRKQBNJNESU-GFCCVEGCSA-N 0 0 319.336 0.526 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCCCn2ccnc2)C1 ZINC000531860958 417644178 /nfs/dbraw/zinc/64/41/78/417644178.db2.gz TZGOYFZDGNXWOW-CYBMUJFWSA-N 0 0 322.413 0.766 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOC[C@H]2CCCO2)[C@H](C)C1 ZINC000531921304 417649853 /nfs/dbraw/zinc/64/98/53/417649853.db2.gz VCFWHTMBQMKOMV-TZMCWYRMSA-N 0 0 313.398 0.444 10 0 DCAERN COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000532043251 417652765 /nfs/dbraw/zinc/65/27/65/417652765.db2.gz PYNRIIDZMWIAQE-CQSZACIVSA-N 0 0 314.313 0.286 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@H](C)C1 ZINC000532170780 417664713 /nfs/dbraw/zinc/66/47/13/417664713.db2.gz SJBBZQLIRRSRLU-TZMCWYRMSA-N 0 0 309.410 0.570 10 0 DCAERN COc1cc(C)c(C(=O)N2CC(S(C)(=O)=O)C2)cc1OC ZINC000456973956 417674277 /nfs/dbraw/zinc/67/42/77/417674277.db2.gz RAZOAWOOMWGFSY-UHFFFAOYSA-N 0 0 313.375 0.881 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)COCCOC)(C(=O)OC)C1(C)C ZINC000440868469 287410591 /nfs/dbraw/zinc/41/05/91/287410591.db2.gz UOJWKFBHLRJSGH-XHDPSFHLSA-N 0 0 317.382 0.512 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1nscc1Br ZINC000628913047 417719058 /nfs/dbraw/zinc/71/90/58/417719058.db2.gz LSSRQYDINZMJMF-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1ccncc1Br ZINC000628916968 417722079 /nfs/dbraw/zinc/72/20/79/417722079.db2.gz GXPWJWBBMPOZEW-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1ccc2c(c1)CCCC2 ZINC000458126241 417723091 /nfs/dbraw/zinc/72/30/91/417723091.db2.gz BVUGGPHUBNMZBW-OAHLLOKOSA-N 0 0 300.362 0.948 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C1=Cc2cc(F)ccc2OC1 ZINC000458134923 417723221 /nfs/dbraw/zinc/72/32/21/417723221.db2.gz JSWVYMPPBWDDMT-ZDUSSCGKSA-N 0 0 318.308 0.370 10 0 DCAERN O=C(C[C@H](O)Cc1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000580809525 417724735 /nfs/dbraw/zinc/72/47/35/417724735.db2.gz SMYSGVGDIRDGSW-WBVHZDCISA-N 0 0 305.374 0.998 10 0 DCAERN CC(C)COc1ncccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458140395 417725533 /nfs/dbraw/zinc/72/55/33/417725533.db2.gz NHUAUNIUKFRYPQ-LBPRGKRZSA-N 0 0 319.365 0.499 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1cc2c(c(Cl)c1)OCO2 ZINC000458154217 417725686 /nfs/dbraw/zinc/72/56/86/417725686.db2.gz ZEEQMTOKTKBSMQ-SECBINFHSA-N 0 0 324.724 0.451 10 0 DCAERN Cc1ccccc1C1(C(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC000458154114 417726081 /nfs/dbraw/zinc/72/60/81/417726081.db2.gz YYJDGSVNJOMREY-ZDUSSCGKSA-N 0 0 300.362 0.795 10 0 DCAERN c1n[nH]nc1CNCc1ccc(OCCN2CCOCC2)cc1 ZINC000631179437 417837689 /nfs/dbraw/zinc/83/76/89/417837689.db2.gz CTOUQZGWAIRCIM-UHFFFAOYSA-N 0 0 317.393 0.806 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631689211 417921290 /nfs/dbraw/zinc/92/12/90/417921290.db2.gz ALEURGYEJNWKSE-UHFFFAOYSA-N 0 0 306.428 0.686 10 0 DCAERN O=C1CC[C@H](Nc2cc(CO)c(F)cn2)[C@@H]([C@H]2CCCO2)N1 ZINC000663916711 418066533 /nfs/dbraw/zinc/06/65/33/418066533.db2.gz YTDJVMAQIKNZEC-ZOWXZIJZSA-N 0 0 309.341 0.951 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000664267858 418106855 /nfs/dbraw/zinc/10/68/55/418106855.db2.gz FAGTZFXFUSMIAY-IUCAKERBSA-N 0 0 308.306 0.907 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2scnc2C)C1 ZINC000297533605 227266565 /nfs/dbraw/zinc/26/65/65/227266565.db2.gz OLICJFIIXRCABJ-UHFFFAOYSA-N 0 0 312.395 0.150 10 0 DCAERN Cc1c(C(=O)NCc2cccc(S(N)(=O)=O)c2)ccn1C ZINC000195102864 545933381 /nfs/dbraw/zinc/93/33/81/545933381.db2.gz LHACRSRTVNAMPK-UHFFFAOYSA-N 0 0 307.375 0.911 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C[C@H](C)OC)C(C)C ZINC000487015282 287530799 /nfs/dbraw/zinc/53/07/99/287530799.db2.gz WCIQJYCYPQTFEQ-NSHDSACASA-N 0 0 310.416 0.471 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC1CC1 ZINC000487384277 287535679 /nfs/dbraw/zinc/53/56/79/287535679.db2.gz ZJQZHKAFUYSSSW-VHSXEESVSA-N 0 0 320.411 0.162 10 0 DCAERN Cn1c2cc(NC(=O)C3(NC(N)=O)CC3)ccc2ccc1=O ZINC000487095547 287531820 /nfs/dbraw/zinc/53/18/20/287531820.db2.gz GACAKJIJBAGGHQ-UHFFFAOYSA-N 0 0 300.318 0.678 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccn(C(C)C)n1 ZINC000487101468 287532212 /nfs/dbraw/zinc/53/22/12/287532212.db2.gz GYHBUZZOKMVSEV-MNOVXSKESA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(CC)c1 ZINC000488153962 287546739 /nfs/dbraw/zinc/54/67/39/287546739.db2.gz UGQPXPLZXMERRZ-UWVGGRQHSA-N 0 0 310.354 0.089 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccnc1C ZINC000488153610 287546779 /nfs/dbraw/zinc/54/67/79/287546779.db2.gz TUJWUILDPSOVCV-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN NC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1C(F)(F)F ZINC000299740721 229373443 /nfs/dbraw/zinc/37/34/43/229373443.db2.gz BIUROMQQUYZEJI-RKDXNWHRSA-N 0 0 323.296 0.366 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)N1CCOCC1 ZINC000046269125 261106509 /nfs/dbraw/zinc/10/65/09/261106509.db2.gz CSTKICWVFDMDGP-DOMZBBRYSA-N 0 0 318.373 0.605 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)NCCc1ccsc1 ZINC000179484683 261113304 /nfs/dbraw/zinc/11/33/04/261113304.db2.gz KZTJOBAPPOELFI-UHFFFAOYSA-N 0 0 315.358 0.862 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C ZINC000180469929 261113676 /nfs/dbraw/zinc/11/36/76/261113676.db2.gz BYHKMOJNCKYQDZ-ZDUSSCGKSA-N 0 0 324.402 0.799 10 0 DCAERN C[C@@H](c1cnccn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000184517924 261118746 /nfs/dbraw/zinc/11/87/46/261118746.db2.gz XRNUHJMBQGRDMS-LBPRGKRZSA-N 0 0 310.365 0.798 10 0 DCAERN CCC1(CC)CN(CC(=O)NCCCOC)CC[S@]1=O ZINC000185232023 261119734 /nfs/dbraw/zinc/11/97/34/261119734.db2.gz APHQNTFMRJKRIR-HXUWFJFHSA-N 0 0 304.456 0.762 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCc2cc(C(N)=O)co2)cc1 ZINC000186668826 261121095 /nfs/dbraw/zinc/12/10/95/261121095.db2.gz JJTKSVPQJLSNBN-UHFFFAOYSA-N 0 0 322.342 0.712 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1cc(C(N)=O)co1)C1CCCC1 ZINC000187839230 261124760 /nfs/dbraw/zinc/12/47/60/261124760.db2.gz BJMVGBHGVFOLKM-ZDUSSCGKSA-N 0 0 307.350 0.690 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000188163086 261125694 /nfs/dbraw/zinc/12/56/94/261125694.db2.gz UYQOTYAJGORBEI-CABCVRRESA-N 0 0 319.405 0.818 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000188648555 261129907 /nfs/dbraw/zinc/12/99/07/261129907.db2.gz MPVVSQJFOLFJKY-IUCAKERBSA-N 0 0 315.333 0.092 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cn3ccnc3s2)C1 ZINC000188665383 261129958 /nfs/dbraw/zinc/12/99/58/261129958.db2.gz OLKTZTQNUCSJDW-VIFPVBQESA-N 0 0 307.379 0.929 10 0 DCAERN CC(=O)NC1CN(C(=O)Cc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000190504991 261134343 /nfs/dbraw/zinc/13/43/43/261134343.db2.gz VHGJKRBALCODFM-UHFFFAOYSA-N 0 0 315.373 0.925 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000192901622 261139378 /nfs/dbraw/zinc/13/93/78/261139378.db2.gz KBAWTPWABDDYGH-HOCLYGCPSA-N 0 0 317.389 0.956 10 0 DCAERN CC(=O)NCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000193187601 261140506 /nfs/dbraw/zinc/14/05/06/261140506.db2.gz WPTQEYSRTSOEOA-OAHLLOKOSA-N 0 0 317.389 0.934 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)CCC1=O ZINC000193001263 261141027 /nfs/dbraw/zinc/14/10/27/261141027.db2.gz URWCLEDSWHJGRW-GFCCVEGCSA-N 0 0 314.345 0.843 10 0 DCAERN Cc1cccc(CNC(=O)NCCC(=O)N2CCOCC2)n1 ZINC000193441769 261141984 /nfs/dbraw/zinc/14/19/84/261141984.db2.gz RTWUKPJWOSKRRJ-UHFFFAOYSA-N 0 0 306.366 0.438 10 0 DCAERN Cc1cc(COCC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)on1 ZINC000193639745 261143269 /nfs/dbraw/zinc/14/32/69/261143269.db2.gz DPKMFIRMWHAMSU-WDEREUQCSA-N 0 0 318.395 0.780 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000194178272 261144760 /nfs/dbraw/zinc/14/47/60/261144760.db2.gz CXNPFLKAAMKQKH-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194861006 261148951 /nfs/dbraw/zinc/14/89/51/261148951.db2.gz UCMUOHYAEDBQBM-VXGBXAGGSA-N 0 0 323.418 0.374 10 0 DCAERN O[C@@H](Cn1nnc(-c2cccc(F)c2)n1)CN1CCOCC1 ZINC000195153660 261150745 /nfs/dbraw/zinc/15/07/45/261150745.db2.gz XYSGZEBUCDJMDI-CYBMUJFWSA-N 0 0 307.329 0.172 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCCn2cccn2)C1 ZINC000262756994 261167229 /nfs/dbraw/zinc/16/72/29/261167229.db2.gz ZAGKINUVRUTEFC-UHFFFAOYSA-N 0 0 308.382 0.717 10 0 DCAERN COC[C@@H](C)CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000311868198 261174407 /nfs/dbraw/zinc/17/44/07/261174407.db2.gz RRWWFUZGHINJIN-DTWKUNHWSA-N 0 0 306.350 0.681 10 0 DCAERN COC[C@H](C)CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000311868207 261174676 /nfs/dbraw/zinc/17/46/76/261174676.db2.gz RRWWFUZGHINJIN-RKDXNWHRSA-N 0 0 306.350 0.681 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000316301682 261175259 /nfs/dbraw/zinc/17/52/59/261175259.db2.gz JVEBTIPPWYPHHK-LBPRGKRZSA-N 0 0 311.382 0.402 10 0 DCAERN CC(=O)N1CCN(CC(=O)Nc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000357308099 261527430 /nfs/dbraw/zinc/52/74/30/261527430.db2.gz RXIGOLZUYVQDNP-JTQLQIEISA-N 0 0 307.398 0.528 10 0 DCAERN CC(C)(O)CCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000357922988 261601429 /nfs/dbraw/zinc/60/14/29/261601429.db2.gz YAQQRXURWJBXKX-LBPRGKRZSA-N 0 0 313.398 0.227 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)c1 ZINC000358078298 261627580 /nfs/dbraw/zinc/62/75/80/261627580.db2.gz PVDJRVZGVZTRNN-TZMCWYRMSA-N 0 0 305.378 0.944 10 0 DCAERN CCc1nocc1CN(C)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000358408697 261664921 /nfs/dbraw/zinc/66/49/21/261664921.db2.gz GWDNKMCOTITONV-INIZCTEOSA-N 0 0 319.361 0.808 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCC(C)(C)OC)cn1C ZINC000360889960 261886253 /nfs/dbraw/zinc/88/62/53/261886253.db2.gz WCCJVQAOYLDYJE-UHFFFAOYSA-N 0 0 303.384 0.088 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000361900459 261974663 /nfs/dbraw/zinc/97/46/63/261974663.db2.gz GWHOYEGCWGFDKO-JQWIXIFHSA-N 0 0 308.382 0.711 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccnc1 ZINC000362466959 262038399 /nfs/dbraw/zinc/03/83/99/262038399.db2.gz RBKKZQIPHBKGJO-NXEZZACHSA-N 0 0 308.338 0.659 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000362619299 262053425 /nfs/dbraw/zinc/05/34/25/262053425.db2.gz ADJRXVZQHBOWQQ-WDEREUQCSA-N 0 0 305.444 0.951 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC000362634591 262054403 /nfs/dbraw/zinc/05/44/03/262054403.db2.gz GLWULVNHDOQRTC-LLVKDONJSA-N 0 0 306.366 0.932 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1nc(C)cc(OC)n1 ZINC000362668321 262058260 /nfs/dbraw/zinc/05/82/60/262058260.db2.gz RUZVBJNFWPNXPG-NXEZZACHSA-N 0 0 310.354 0.662 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1CCC(COc2ccccn2)CC1 ZINC000363303476 262111275 /nfs/dbraw/zinc/11/12/75/262111275.db2.gz QJMRRUIBHZQXRL-CYBMUJFWSA-N 0 0 303.362 0.978 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN2CCOC[C@@H]2C1 ZINC000363791082 262129996 /nfs/dbraw/zinc/12/99/96/262129996.db2.gz CIBPAFCFHKNACR-RYUDHWBXSA-N 0 0 312.414 0.016 10 0 DCAERN COc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1OC ZINC000363815566 262132267 /nfs/dbraw/zinc/13/22/67/262132267.db2.gz FUXNSDQYXWLEDN-CYBMUJFWSA-N 0 0 306.362 0.860 10 0 DCAERN Cn1ncc(C(=O)N2CCN3CCOC[C@@H]3C2)c1-n1cccc1 ZINC000363835574 262134172 /nfs/dbraw/zinc/13/41/72/262134172.db2.gz SUJGQIZGJHPGTM-ZDUSSCGKSA-N 0 0 315.377 0.367 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021070 262161519 /nfs/dbraw/zinc/16/15/19/262161519.db2.gz RLEZUTBMQFTSPY-WRWORJQWSA-N 0 0 304.318 0.910 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(C)C ZINC000178929092 270952157 /nfs/dbraw/zinc/95/21/57/270952157.db2.gz GLQLRJNNFGMBDB-SNVBAGLBSA-N 0 0 302.400 0.086 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N(C)C[C@H]1CC=CCC1 ZINC000358496029 271053042 /nfs/dbraw/zinc/05/30/42/271053042.db2.gz INYXOSNGALVCLA-LBPRGKRZSA-N 0 0 303.428 0.876 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCC(C)(C)C(N)=O)no1 ZINC000358555141 271059091 /nfs/dbraw/zinc/05/90/91/271059091.db2.gz HQFUMKCXAMDLBV-QMMMGPOBSA-N 0 0 313.358 0.478 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N[C@@H]2CC(=O)N(C)C2)no1 ZINC000358877635 271077361 /nfs/dbraw/zinc/07/73/61/271077361.db2.gz DEWCZNLUBQCMDD-DTWKUNHWSA-N 0 0 311.342 0.197 10 0 DCAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC2(C1)CCCCC2 ZINC000359023119 271092065 /nfs/dbraw/zinc/09/20/65/271092065.db2.gz TUSWQIMEENIDKK-UHFFFAOYSA-N 0 0 314.451 0.900 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)c2cccc3ncnn32)cn1 ZINC000359656945 271139082 /nfs/dbraw/zinc/13/90/82/271139082.db2.gz JLEIYFKQPGETRW-UHFFFAOYSA-N 0 0 317.330 0.780 10 0 DCAERN C[C@@](NC(=O)c1cccc2ncnn21)(C(N)=O)c1ccccc1 ZINC000359649936 271139106 /nfs/dbraw/zinc/13/91/06/271139106.db2.gz WSABYMJHXJZXEJ-INIZCTEOSA-N 0 0 309.329 0.860 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](CO)C1CC1 ZINC000359772015 271142192 /nfs/dbraw/zinc/14/21/92/271142192.db2.gz CMCJRFIDAAPRLO-WDEREUQCSA-N 0 0 306.428 0.085 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1=O ZINC000361028166 271172735 /nfs/dbraw/zinc/17/27/35/271172735.db2.gz HFVYMFBOVBVZCR-GFCCVEGCSA-N 0 0 321.356 0.283 10 0 DCAERN O=C1[C@H]2CCCCN2C(=O)N1[C@H]1CCN(C2CCOCC2)C1=O ZINC000363472787 271193935 /nfs/dbraw/zinc/19/39/35/271193935.db2.gz UOCZIFLAWWAUGV-OLZOCXBDSA-N 0 0 321.377 0.583 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCN4CCOC[C@@H]4C3)ccc21 ZINC000363870443 271205797 /nfs/dbraw/zinc/20/57/97/271205797.db2.gz VLDHFXYJNRRVDF-ZDUSSCGKSA-N 0 0 300.362 0.730 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCOCC[C@@H]1C ZINC000363894228 271206757 /nfs/dbraw/zinc/20/67/57/271206757.db2.gz KOAAVNDIEHVCMA-NSHDSACASA-N 0 0 307.350 0.975 10 0 DCAERN Cn1cc(C(=O)NC[C@@H]2CN(C)CCO2)c(-c2ccoc2)n1 ZINC000363931416 271208461 /nfs/dbraw/zinc/20/84/61/271208461.db2.gz RUTIESGZBNUIRT-GFCCVEGCSA-N 0 0 304.350 0.741 10 0 DCAERN CNC(=O)[C@H](Nc1cnn(C)c(=O)c1Br)C(C)C ZINC000434957707 271551659 /nfs/dbraw/zinc/55/16/59/271551659.db2.gz HYEPCVXOTMKBLI-SECBINFHSA-N 0 0 317.187 0.725 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1NC[C@@H](O)C(F)F ZINC000435584921 271566926 /nfs/dbraw/zinc/56/69/26/271566926.db2.gz ONGNGXWKYHVWJF-MRVPVSSYSA-N 0 0 309.338 0.806 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)NC[C@H](CO)C2CC2)c(O)c1 ZINC000436618294 271602413 /nfs/dbraw/zinc/60/24/13/271602413.db2.gz KTPVRZYWFFMBNL-CYBMUJFWSA-N 0 0 320.389 0.955 10 0 DCAERN CCN(C(=O)[C@H](C)NC(=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000443041749 271694583 /nfs/dbraw/zinc/69/45/83/271694583.db2.gz XYSJMJOJQJOOLJ-WCQYABFASA-N 0 0 303.362 0.542 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000443264367 271704117 /nfs/dbraw/zinc/70/41/17/271704117.db2.gz DOYJGFZTCNHBIB-UHFFFAOYSA-N 0 0 303.322 0.047 10 0 DCAERN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N(C)CCCO ZINC000443331292 271707229 /nfs/dbraw/zinc/70/72/29/271707229.db2.gz OOBLANBHPCUKOZ-UHFFFAOYSA-N 0 0 324.333 0.261 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000446545399 271761818 /nfs/dbraw/zinc/76/18/18/271761818.db2.gz CWUVKGUIIXHESL-LLVKDONJSA-N 0 0 322.340 0.676 10 0 DCAERN CC(C)Cc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)cc(=O)[nH]1 ZINC000458128509 271943391 /nfs/dbraw/zinc/94/33/91/271943391.db2.gz DKEIVUIAVDAETJ-CYBMUJFWSA-N 0 0 319.365 0.368 10 0 DCAERN CN(C)C(=O)COC1CN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000459601878 272001811 /nfs/dbraw/zinc/00/18/11/272001811.db2.gz CSUWACLBWFYJEV-UHFFFAOYSA-N 0 0 304.350 0.959 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CC[C@@H](OC)C2)ccc1OCC(N)=O ZINC000471668101 272028240 /nfs/dbraw/zinc/02/82/40/272028240.db2.gz INASFMOLZNJJSE-VXGBXAGGSA-N 0 0 322.361 0.857 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000471693853 272030145 /nfs/dbraw/zinc/03/01/45/272030145.db2.gz QWUUUCHJGRDIJE-QWRGUYRKSA-N 0 0 317.345 0.786 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000487113317 272037984 /nfs/dbraw/zinc/03/79/84/272037984.db2.gz FUOIAYYQZZNPSU-BDAKNGLRSA-N 0 0 322.365 0.473 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1nc(C)cc1C ZINC000487165896 272038637 /nfs/dbraw/zinc/03/86/37/272038637.db2.gz ZMWSKTAMSROCGO-VXGBXAGGSA-N 0 0 324.381 0.072 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@H](O)C(F)F ZINC000489497944 272062718 /nfs/dbraw/zinc/06/27/18/272062718.db2.gz LTKBXKYJUCNIOT-VIFPVBQESA-N 0 0 313.308 0.587 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NCCn3cncn3)cc21 ZINC000489565716 272064059 /nfs/dbraw/zinc/06/40/59/272064059.db2.gz GAEMJWQIJKELPP-UHFFFAOYSA-N 0 0 312.333 0.952 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC(C)(C)C ZINC000494404400 272220855 /nfs/dbraw/zinc/22/08/55/272220855.db2.gz KHFIESOUWYGNGL-ZJUUUORDSA-N 0 0 301.387 0.788 10 0 DCAERN O=C(Cc1cncc(O)c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496683582 272335049 /nfs/dbraw/zinc/33/50/49/272335049.db2.gz PMHVHYZCMRLGDZ-LLVKDONJSA-N 0 0 305.334 0.630 10 0 DCAERN COC(=O)COc1ccc(C(=O)N(C)Cc2nnnn2C)cc1 ZINC000531811965 272770223 /nfs/dbraw/zinc/77/02/23/272770223.db2.gz DXEACGNQHCNTQF-UHFFFAOYSA-N 0 0 319.321 0.034 10 0 DCAERN COCCN([C@H]1CCOC1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000333458286 274025031 /nfs/dbraw/zinc/02/50/31/274025031.db2.gz TXXZYXLFPWYGKK-GJZGRUSLSA-N 0 0 312.410 0.504 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCc2nc(C)oc2C)C1 ZINC000536233767 287852001 /nfs/dbraw/zinc/85/20/01/287852001.db2.gz QWBYOPVYYVXGPT-LBPRGKRZSA-N 0 0 323.397 0.937 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)N1CC[C@H](NC(N)=O)C1)C2 ZINC000536510253 287854891 /nfs/dbraw/zinc/85/48/91/287854891.db2.gz XYBFIIJWVSIUCC-RYUDHWBXSA-N 0 0 318.381 0.095 10 0 DCAERN CCC[C@](C)(O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184317416 276052094 /nfs/dbraw/zinc/05/20/94/276052094.db2.gz SYHVHRADJBUQJC-HNNXBMFYSA-N 0 0 308.382 0.685 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000408000282 277046141 /nfs/dbraw/zinc/04/61/41/277046141.db2.gz ZEDQIBURTHRSBO-OWCLPIDISA-N 0 0 323.437 0.757 10 0 DCAERN CN1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000069900604 277095818 /nfs/dbraw/zinc/09/58/18/277095818.db2.gz ABFGLJLAWRGOHC-CYBMUJFWSA-N 0 0 311.451 0.852 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)s1 ZINC000416320916 277118144 /nfs/dbraw/zinc/11/81/44/277118144.db2.gz ZQSPUVVXVGQMHO-VHSXEESVSA-N 0 0 311.407 0.873 10 0 DCAERN CN1CC[C@@H](C(=O)N2CC[C@H](C(N)=O)c3ccccc32)CC1=O ZINC000119648383 277133529 /nfs/dbraw/zinc/13/35/29/277133529.db2.gz YOEIFSWNGBQTFS-YPMHNXCESA-N 0 0 315.373 0.861 10 0 DCAERN CC(C)(C)NC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000408426656 277166623 /nfs/dbraw/zinc/16/66/23/277166623.db2.gz VTTSUPHCKCIAED-RYUDHWBXSA-N 0 0 302.440 0.943 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@H](C(N)=O)CC[C@H]2C)cs1 ZINC000173212180 277233827 /nfs/dbraw/zinc/23/38/27/277233827.db2.gz WMTWABSVPCUEFX-NXEZZACHSA-N 0 0 310.423 0.517 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000542757600 287945680 /nfs/dbraw/zinc/94/56/80/287945680.db2.gz HDMJEPGDNFLUMV-NEPJUHHUSA-N 0 0 305.396 0.769 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1OC ZINC000408360226 277299399 /nfs/dbraw/zinc/29/93/99/277299399.db2.gz SESLIGHHJLRGQW-GBJTYRQASA-N 0 0 312.410 0.502 10 0 DCAERN CO[C@H]1CCCN(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000076552972 277336675 /nfs/dbraw/zinc/33/66/75/277336675.db2.gz HZIYHXMACPHGLH-ZDUSSCGKSA-N 0 0 316.365 0.983 10 0 DCAERN COc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093884874 277397233 /nfs/dbraw/zinc/39/72/33/277397233.db2.gz ZMBABVDFMVVZSG-UKRRQHHQSA-N 0 0 314.345 0.915 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000544371978 287974198 /nfs/dbraw/zinc/97/41/98/287974198.db2.gz QTSDXSRIYIIVJP-UHFFFAOYSA-N 0 0 302.338 0.217 10 0 DCAERN CCc1ncsc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000545329231 287997035 /nfs/dbraw/zinc/99/70/35/287997035.db2.gz CMPNFILLKASCEL-JTQLQIEISA-N 0 0 312.395 0.810 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000329618800 278008083 /nfs/dbraw/zinc/00/80/83/278008083.db2.gz GHANPIMNTYKAFI-BPLDGKMQSA-N 0 0 309.410 0.176 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000408304144 278020408 /nfs/dbraw/zinc/02/04/08/278020408.db2.gz WSLDYCAPGNZNDE-MGPQQGTHSA-N 0 0 324.425 0.588 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000366319635 278062285 /nfs/dbraw/zinc/06/22/85/278062285.db2.gz TXVQFYXVDLXLBI-MPKXVKKWSA-N 0 0 314.407 0.314 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC000174816797 278074755 /nfs/dbraw/zinc/07/47/55/278074755.db2.gz BTUGWQZMEDZURL-AWEZNQCLSA-N 0 0 306.410 0.759 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCCC1 ZINC000172766503 278126244 /nfs/dbraw/zinc/12/62/44/278126244.db2.gz XLFXZTXVESMUIK-HZPDHXFCSA-N 0 0 323.437 0.614 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCNC(=O)CC1)c1cccs1 ZINC000059882862 278132097 /nfs/dbraw/zinc/13/20/97/278132097.db2.gz RAGAZMDKGGDNLM-NSHDSACASA-N 0 0 309.391 0.664 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408039282 278163401 /nfs/dbraw/zinc/16/34/01/278163401.db2.gz UPRRLQFQMSRGEO-SCDSUCTJSA-N 0 0 307.394 0.513 10 0 DCAERN C[C@H]1CN(Cc2cc(=O)n3ccccc3n2)CCS1(=O)=O ZINC000155539390 278435569 /nfs/dbraw/zinc/43/55/69/278435569.db2.gz YMHHWAFZBURSRF-NSHDSACASA-N 0 0 307.375 0.313 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)[C@H]2CCO[C@H]21 ZINC000246947632 278438611 /nfs/dbraw/zinc/43/86/11/278438611.db2.gz KJEJNEJXLPHRSI-GBJTYRQASA-N 0 0 323.437 0.916 10 0 DCAERN CN1CC[C@@H](NC(=O)Nc2cccc(N3CCOCC3)c2)C1=O ZINC000547448236 288047360 /nfs/dbraw/zinc/04/73/60/288047360.db2.gz GOGNBYINGXBMKL-CQSZACIVSA-N 0 0 318.377 0.875 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408155475 278497239 /nfs/dbraw/zinc/49/72/39/278497239.db2.gz UXFYWHMXQNSYPF-MNOVXSKESA-N 0 0 303.424 0.725 10 0 DCAERN Cc1cnn(CC(=O)NCc2cccc(N3CCOCC3)n2)c1 ZINC000547522395 288054865 /nfs/dbraw/zinc/05/48/65/288054865.db2.gz ZERYSJDXSBUSHY-UHFFFAOYSA-N 0 0 315.377 0.740 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173131578 278632652 /nfs/dbraw/zinc/63/26/52/278632652.db2.gz XJGBPDWQLHZMSG-QWRGUYRKSA-N 0 0 304.412 0.484 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(C)ncn2)CC1 ZINC000547658156 288066199 /nfs/dbraw/zinc/06/61/99/288066199.db2.gz ZBIDXGNFZKZGNC-UHFFFAOYSA-N 0 0 306.366 0.494 10 0 DCAERN CN(C[C@H]1CCCOC1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000547732432 288073535 /nfs/dbraw/zinc/07/35/35/288073535.db2.gz ZTXNLMXOXWWIAW-CJNGLKHVSA-N 0 0 308.378 0.484 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C2(C(=O)N(C)C)CC2)c1 ZINC000547754468 288075717 /nfs/dbraw/zinc/07/57/17/288075717.db2.gz IPYSDZAKOVOFTQ-UHFFFAOYSA-N 0 0 314.349 0.778 10 0 DCAERN C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547846013 288084500 /nfs/dbraw/zinc/08/45/00/288084500.db2.gz JMNUZCFYGMXAHG-OCCSQVGLSA-N 0 0 305.378 0.959 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(-n2ccnc2)cc1 ZINC000548060465 288107583 /nfs/dbraw/zinc/10/75/83/288107583.db2.gz MKSCVTNTIFQLKJ-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000188892935 279202144 /nfs/dbraw/zinc/20/21/44/279202144.db2.gz YIFMIQHAVVDLRG-STQMWFEESA-N 0 0 317.455 0.810 10 0 DCAERN Cn1c2cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)ccc2[nH]c1=O ZINC000278882153 279315820 /nfs/dbraw/zinc/31/58/20/279315820.db2.gz DDKFTBPFIXUXMJ-INIZCTEOSA-N 0 0 314.345 0.219 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1C1CC1 ZINC000328903267 279396369 /nfs/dbraw/zinc/39/63/69/279396369.db2.gz HQYDKMZWIQTVEZ-CABCVRRESA-N 0 0 304.394 0.843 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000151650011 279439512 /nfs/dbraw/zinc/43/95/12/279439512.db2.gz VUCJFTZUKUFHTO-SNVBAGLBSA-N 0 0 319.452 0.860 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000548389472 288138515 /nfs/dbraw/zinc/13/85/15/288138515.db2.gz UAQZLSCRQKZJRJ-CFAJVAMVSA-N 0 0 320.389 0.673 10 0 DCAERN C[C@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CC(=O)N1C ZINC000407967813 279826064 /nfs/dbraw/zinc/82/60/64/279826064.db2.gz DMSUOISYJIHJGL-VIFPVBQESA-N 0 0 319.390 0.846 10 0 DCAERN COc1cccc(CCNC(=O)CN2CCOCC2=O)c1OC ZINC000548714780 288169812 /nfs/dbraw/zinc/16/98/12/288169812.db2.gz CAXZNHKJSBILFA-UHFFFAOYSA-N 0 0 322.361 0.221 10 0 DCAERN CCC(CC)[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)CCO1 ZINC000548720690 288170602 /nfs/dbraw/zinc/17/06/02/288170602.db2.gz INLRZEGUZGKVLL-KGLIPLIRSA-N 0 0 312.410 0.945 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc(N3CCOCC3)cn2)cn1 ZINC000548852340 288182016 /nfs/dbraw/zinc/18/20/16/288182016.db2.gz LMFONKCCHCDXFP-UHFFFAOYSA-N 0 0 317.349 0.669 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000369744047 280019478 /nfs/dbraw/zinc/01/94/78/280019478.db2.gz CEXYDYDUZGTFPV-VOAKCMCISA-N 0 0 313.398 0.474 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000549206949 288194858 /nfs/dbraw/zinc/19/48/58/288194858.db2.gz MUISYXIGRZOJSB-TZMCWYRMSA-N 0 0 319.409 0.524 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NC[C@]1(O)CCOC1 ZINC000549558615 288200376 /nfs/dbraw/zinc/20/03/76/288200376.db2.gz LKQONRRMCFCHFQ-MLGOLLRUSA-N 0 0 322.361 0.667 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000549591162 288200876 /nfs/dbraw/zinc/20/08/76/288200876.db2.gz NGVQKGICHOHTMI-ONGXEEELSA-N 0 0 306.370 0.250 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000408249053 280147781 /nfs/dbraw/zinc/14/77/81/280147781.db2.gz YIDCYTJEJKBESP-NVXWUHKLSA-N 0 0 321.421 0.762 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CC[C@@H](N2CCOCC2)C1 ZINC000187697149 280196042 /nfs/dbraw/zinc/19/60/42/280196042.db2.gz PADOKYVAXIJAJD-CQSZACIVSA-N 0 0 315.373 0.728 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000181799323 280205090 /nfs/dbraw/zinc/20/50/90/280205090.db2.gz DYHCUNIJPLMPGH-TZMCWYRMSA-N 0 0 323.441 0.888 10 0 DCAERN Cc1nnc(N2CCC[C@]3(CNC(=O)C3)C2)n1C[C@H]1CCOC1 ZINC000550094400 288210295 /nfs/dbraw/zinc/21/02/95/288210295.db2.gz NNLDKOZPNLKCAG-CJNGLKHVSA-N 0 0 319.409 0.730 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)C[C@H](C)C2)C[C@H](C)O1 ZINC000333499394 288234861 /nfs/dbraw/zinc/23/48/61/288234861.db2.gz WACDASIAZQEBTC-QSKJLUFESA-N 0 0 324.468 0.041 10 0 DCAERN CC(C)[C@H]1N(C(=O)CN2C(=O)CN(C)C2=O)C[C@@]12CCCO2 ZINC000329451463 280448339 /nfs/dbraw/zinc/44/83/39/280448339.db2.gz MBXYIVGDCLUBRU-HIFRSBDPSA-N 0 0 309.366 0.296 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)CC(=O)N1 ZINC000408276087 280540605 /nfs/dbraw/zinc/54/06/05/280540605.db2.gz FAFWPOUQINLPFD-BCUIYNNISA-N 0 0 310.394 0.698 10 0 DCAERN CC1(C)CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000552711427 288279718 /nfs/dbraw/zinc/27/97/18/288279718.db2.gz XRPHPTCVDJALTD-UHFFFAOYSA-N 0 0 302.334 0.910 10 0 DCAERN CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1=O ZINC000552741968 288279760 /nfs/dbraw/zinc/27/97/60/288279760.db2.gz KFPQIXREAHLGTB-LLVKDONJSA-N 0 0 315.333 0.010 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1ncsc1Br ZINC000553199235 288290609 /nfs/dbraw/zinc/29/06/09/288290609.db2.gz SZLTYAYZEXHDNI-SECBINFHSA-N 0 0 307.169 0.787 10 0 DCAERN C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553082628 288286248 /nfs/dbraw/zinc/28/62/48/288286248.db2.gz JOLAPDUUCPENMZ-WDEREUQCSA-N 0 0 304.350 0.796 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CSC[C@H]2C)C1 ZINC000553968118 288311341 /nfs/dbraw/zinc/31/13/41/288311341.db2.gz HKMZUPVESGXMJD-OUAUKWLOSA-N 0 0 300.428 0.841 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cn1 ZINC000554569488 288329574 /nfs/dbraw/zinc/32/95/74/288329574.db2.gz LSTFBCGAAHWPLS-GFCCVEGCSA-N 0 0 320.393 0.849 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CCNC[C@H]3c3cccnc3)nn21 ZINC000261681237 281478527 /nfs/dbraw/zinc/47/85/27/281478527.db2.gz IJPMHXGYDFDZDL-ZDUSSCGKSA-N 0 0 323.360 0.614 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000408204368 281520617 /nfs/dbraw/zinc/52/06/17/281520617.db2.gz UUYWTQGYGKJIHZ-MXWKQRLJSA-N 0 0 305.382 0.706 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1cccnc1 ZINC000555518271 288352982 /nfs/dbraw/zinc/35/29/82/288352982.db2.gz FBMCXVWALMTPAR-NEPJUHHUSA-N 0 0 321.377 0.587 10 0 DCAERN O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CCN2CCOC[C@H]2C1 ZINC000555663204 288359912 /nfs/dbraw/zinc/35/99/12/288359912.db2.gz AKRJPTHGNNUYNK-ZIAGYGMSSA-N 0 0 317.389 0.585 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000408074167 281889337 /nfs/dbraw/zinc/88/93/37/281889337.db2.gz ODRCAEYGYXZCJW-BPCQOVAHSA-N 0 0 309.410 0.938 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557376551 288418087 /nfs/dbraw/zinc/41/80/87/288418087.db2.gz GMSUGQJVUGSWSM-JQWIXIFHSA-N 0 0 304.350 0.796 10 0 DCAERN Cc1cc(CCNC(=O)Nc2cnn(CC(=O)N(C)C)c2)on1 ZINC000558382187 288441182 /nfs/dbraw/zinc/44/11/82/288441182.db2.gz PBUSCSNVADZWNE-UHFFFAOYSA-N 0 0 320.353 0.632 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)COc3cnn(C)c3)CCO2)cn1 ZINC000558640392 288452103 /nfs/dbraw/zinc/45/21/03/288452103.db2.gz LREVYSGCSORCMN-CQSZACIVSA-N 0 0 319.365 0.615 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CN2C(=O)N[C@@H](CC3CC3)C2=O)O1 ZINC000564770661 288766393 /nfs/dbraw/zinc/76/63/93/288766393.db2.gz GSWQUBSAMDCHSG-WOPDTQHZSA-N 0 0 309.366 0.343 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@H]3C2)O1 ZINC000329228076 289024855 /nfs/dbraw/zinc/02/48/55/289024855.db2.gz BLQXRHPAKQNQLT-MJBXVCDLSA-N 0 0 309.410 0.319 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCCC(N)=O)[C@H]1c1ccc(F)cc1 ZINC000153401889 289821027 /nfs/dbraw/zinc/82/10/27/289821027.db2.gz BDYWPQBYNMXURH-IUODEOHRSA-N 0 0 321.352 0.727 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495826 290100141 /nfs/dbraw/zinc/10/01/41/290100141.db2.gz QFOSOWPAOBGUEV-GJZGRUSLSA-N 0 0 311.426 0.030 10 0 DCAERN CN1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1=O ZINC000329423889 290259320 /nfs/dbraw/zinc/25/93/20/290259320.db2.gz GHZZWCHHKAAPAM-LLVKDONJSA-N 0 0 311.407 0.336 10 0 DCAERN Cc1nc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(=O)[nH]c1C ZINC000181383634 293161791 /nfs/dbraw/zinc/16/17/91/293161791.db2.gz WBLKBXZDOZPMQB-JTQLQIEISA-N 0 0 302.338 0.872 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOCC3(CC3)C2)C[C@@H](C)O1 ZINC000329459603 297051965 /nfs/dbraw/zinc/05/19/65/297051965.db2.gz OXNSAXYKTVXBDF-VXGBXAGGSA-N 0 0 304.412 0.453 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000367160303 294395891 /nfs/dbraw/zinc/39/58/91/294395891.db2.gz ZVLIDMPETUIAJG-IAQYHMDHSA-N 0 0 315.377 0.848 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373685654 299862790 /nfs/dbraw/zinc/86/27/90/299862790.db2.gz UUPBBIUQIOWFMZ-GXTWGEPZSA-N 0 0 318.439 0.985 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000245741662 295119343 /nfs/dbraw/zinc/11/93/43/295119343.db2.gz GFSTZXGIZPUWDT-JKIFEVAISA-N 0 0 300.358 0.603 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)N3CCSCC3)C2)n[nH]1 ZINC000286510140 295173605 /nfs/dbraw/zinc/17/36/05/295173605.db2.gz RURFELWAUTUJFY-SNVBAGLBSA-N 0 0 323.422 0.857 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)N2CCCC23CCC3)CC1 ZINC000373063854 295284211 /nfs/dbraw/zinc/28/42/11/295284211.db2.gz QUFNVPZSEKIFQT-UHFFFAOYSA-N 0 0 301.412 0.447 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CCCC1)CO2 ZINC000113650589 295289029 /nfs/dbraw/zinc/28/90/29/295289029.db2.gz XKFLFRBTRDKQLK-LLVKDONJSA-N 0 0 310.375 0.508 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1COCCO1 ZINC000261912618 295393093 /nfs/dbraw/zinc/39/30/93/295393093.db2.gz HUAZKQHCRDLILL-DZGCQCFKSA-N 0 0 306.362 0.584 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091847 297265724 /nfs/dbraw/zinc/26/57/24/297265724.db2.gz XBNKWYGFJXCCDB-CHWSQXEVSA-N 0 0 308.430 0.723 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329054967 297414749 /nfs/dbraw/zinc/41/47/49/297414749.db2.gz HXAHPFQZZJLBLA-RDBSUJKOSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000408125511 298057116 /nfs/dbraw/zinc/05/71/16/298057116.db2.gz AOHXLWWIJFFUHO-CYBMUJFWSA-N 0 0 320.393 0.020 10 0 DCAERN C[C@H](C(=O)N1CCOCC[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000367633787 298058190 /nfs/dbraw/zinc/05/81/90/298058190.db2.gz NLPGUYOTYDFBOP-NWDGAFQWSA-N 0 0 323.393 0.877 10 0 DCAERN C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCN1CCO ZINC000188735451 300124853 /nfs/dbraw/zinc/12/48/53/300124853.db2.gz DTPAXGVPQHRLSC-ZDUSSCGKSA-N 0 0 313.442 0.454 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1=O ZINC000295073923 302897727 /nfs/dbraw/zinc/89/77/27/302897727.db2.gz YWVQJIJIEMIXNG-IAQYHMDHSA-N 0 0 305.334 0.270 10 0 DCAERN Cn1ccnc1[C@H]1CNCCN1C(=O)c1ncncc1Cl ZINC000261744710 303009496 /nfs/dbraw/zinc/00/94/96/303009496.db2.gz OKTQOEBYYLUIHT-SNVBAGLBSA-N 0 0 306.757 0.650 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000252802616 303308416 /nfs/dbraw/zinc/30/84/16/303308416.db2.gz PIYFZUGBXSWVIM-IHRRRGAJSA-N 0 0 309.410 0.354 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1c(Cl)nc2ccccn21 ZINC000091778591 303333682 /nfs/dbraw/zinc/33/36/82/303333682.db2.gz DQNXBUVRLYPNTA-MRVPVSSYSA-N 0 0 308.725 0.314 10 0 DCAERN O=C(Cn1cccnc1=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000329117871 303661949 /nfs/dbraw/zinc/66/19/49/303661949.db2.gz USRZVWSXGXQOGS-STQMWFEESA-N 0 0 323.418 0.756 10 0 DCAERN O=S1(=O)CCC[C@@H]1CNCc1cnnn1Cc1ccccc1 ZINC000570900450 332836568 /nfs/dbraw/zinc/83/65/68/332836568.db2.gz GRDYIEWWRNFBOE-OAHLLOKOSA-N 0 0 320.418 0.993 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000332877651 332892647 /nfs/dbraw/zinc/89/26/47/332892647.db2.gz DPUOIBLZVIAIGH-MNOVXSKESA-N 0 0 307.398 0.965 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)CCNS(C)(=O)=O ZINC000170952463 332907110 /nfs/dbraw/zinc/90/71/10/332907110.db2.gz FSQRTFUKIGCZLX-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000582129559 332607515 /nfs/dbraw/zinc/60/75/15/332607515.db2.gz OKWQCWQGCBHPOK-QWHCGFSZSA-N 0 0 310.394 0.557 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc3n[nH]nc31)CC2 ZINC000187995646 333008704 /nfs/dbraw/zinc/00/87/04/333008704.db2.gz HNFBEBPBFWMITA-VIFPVBQESA-N 0 0 311.349 0.857 10 0 DCAERN COCCN1CCCN(C(=O)NCc2cccc(C)n2)CC1=O ZINC000188833491 333056200 /nfs/dbraw/zinc/05/62/00/333056200.db2.gz NHCSTANIXRMEKA-UHFFFAOYSA-N 0 0 320.393 0.780 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)O1 ZINC000189584426 333148003 /nfs/dbraw/zinc/14/80/03/333148003.db2.gz ZSOPNOSLVGFAAO-NWDGAFQWSA-N 0 0 318.439 0.732 10 0 DCAERN CCN1CN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1=O ZINC000190536015 336264826 /nfs/dbraw/zinc/26/48/26/336264826.db2.gz SYSUTGSXWMHWCM-UHFFFAOYSA-N 0 0 300.318 0.265 10 0 DCAERN CCc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC000582798706 337173757 /nfs/dbraw/zinc/17/37/57/337173757.db2.gz DIRKPROJSLBQBN-UONOGXRCSA-N 0 0 321.425 0.398 10 0 DCAERN O=C(CCn1cncn1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000583178799 337255692 /nfs/dbraw/zinc/25/56/92/337255692.db2.gz OHSLTKZULQXLSH-OAHLLOKOSA-N 0 0 316.361 0.975 10 0 DCAERN O=C(NCCc1ccc(CCNC(=O)N2CC2)cc1)N1CC1 ZINC000584616604 337372861 /nfs/dbraw/zinc/37/28/61/337372861.db2.gz ISBFDCBYPQAXGW-UHFFFAOYSA-N 0 0 302.378 0.822 10 0 DCAERN Cn1cnc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccccn3)C2)c1 ZINC000584633657 337377649 /nfs/dbraw/zinc/37/76/49/337377649.db2.gz FBVFKXHQVVHSQR-VXGBXAGGSA-N 0 0 322.390 0.212 10 0 DCAERN COc1nn(CSCn2nc(OC)sc2=O)c(=O)s1 ZINC000584659430 337378182 /nfs/dbraw/zinc/37/81/82/337378182.db2.gz OOJVQAIUJQJAOB-UHFFFAOYSA-N 0 0 322.393 0.289 10 0 DCAERN CN1CC[C@@H](NC(=O)NCCOc2ccc(F)cc2F)C1=O ZINC000172377406 341798093 /nfs/dbraw/zinc/79/80/93/341798093.db2.gz BIXSTUZALOPJOO-LLVKDONJSA-N 0 0 313.304 0.874 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175266578 341836540 /nfs/dbraw/zinc/83/65/40/341836540.db2.gz DXOHROHOPLHYCN-HUUCEWRRSA-N 0 0 302.374 0.983 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(CO)c(F)c1 ZINC000176396461 341872254 /nfs/dbraw/zinc/87/22/54/341872254.db2.gz CNVSDXHJMPHZSH-UHFFFAOYSA-N 0 0 305.309 0.685 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186828821 533943252 /nfs/dbraw/zinc/94/32/52/533943252.db2.gz DIESNJLVTVBDAU-VXGBXAGGSA-N 0 0 306.362 0.635 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)O1 ZINC000155899344 534129803 /nfs/dbraw/zinc/12/98/03/534129803.db2.gz VMSMKIGSTQJOAB-OLZOCXBDSA-N 0 0 319.409 0.759 10 0 DCAERN COc1ccccc1NC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000187654732 534168969 /nfs/dbraw/zinc/16/89/69/534168969.db2.gz SSHSDBWFXRMGON-ZDUSSCGKSA-N 0 0 307.394 0.632 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCOC1)N1C(=O)c2ccccc2C1=O ZINC000171701274 534294603 /nfs/dbraw/zinc/29/46/03/534294603.db2.gz JOONFDQDDGTAJC-GHMZBOCLSA-N 0 0 302.330 0.966 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000155648713 518360737 /nfs/dbraw/zinc/36/07/37/518360737.db2.gz FCTFUCBIJAVYTO-NSHDSACASA-N 0 0 324.402 0.947 10 0 DCAERN CC(C)(C(=O)NC[C@H]1CC(C(N)=O)=NO1)c1ccccc1F ZINC000189854716 518525548 /nfs/dbraw/zinc/52/55/48/518525548.db2.gz QSDNCTWPXWONOL-SECBINFHSA-N 0 0 307.325 0.850 10 0 DCAERN NC(=O)Cn1cc(C(=O)NCc2ccc(C(F)F)cc2)nn1 ZINC000184613274 534369201 /nfs/dbraw/zinc/36/92/01/534369201.db2.gz JDZJNZSTTWROCI-UHFFFAOYSA-N 0 0 309.276 0.631 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)CN1CCCC1=O ZINC000156924356 518848910 /nfs/dbraw/zinc/84/89/10/518848910.db2.gz LACHVROGFVRQTF-OLZOCXBDSA-N 0 0 312.410 0.776 10 0 DCAERN NC(=O)NC(=O)CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000175950222 534384820 /nfs/dbraw/zinc/38/48/20/534384820.db2.gz LVSKRGLCMFGGID-AWEZNQCLSA-N 0 0 305.378 0.905 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](O)C(C)C)c1 ZINC000266926836 519453091 /nfs/dbraw/zinc/45/30/91/519453091.db2.gz ZMQCHCJKVUXRDQ-CQSZACIVSA-N 0 0 321.377 0.741 10 0 DCAERN CC(C)C(=O)NCCCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000158726849 519485893 /nfs/dbraw/zinc/48/58/93/519485893.db2.gz LTECAJYZKDUAPG-LBPRGKRZSA-N 0 0 305.444 0.715 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)CCc2ncc(C)s2)CC1 ZINC000157361007 519570130 /nfs/dbraw/zinc/57/01/30/519570130.db2.gz BKJHXYPEEZALDF-UHFFFAOYSA-N 0 0 324.450 0.617 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000191344193 519647748 /nfs/dbraw/zinc/64/77/48/519647748.db2.gz DMHSEULEBQSVFL-UHFFFAOYSA-N 0 0 318.358 0.582 10 0 DCAERN CC(=O)NC1CN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000190453298 519647757 /nfs/dbraw/zinc/64/77/57/519647757.db2.gz VXBCFGYHNYTISP-CYBMUJFWSA-N 0 0 315.373 0.925 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCN2CCc3sccc3C2)C1 ZINC000189951391 519647907 /nfs/dbraw/zinc/64/79/07/519647907.db2.gz PIXPRNHCOJLUOQ-UHFFFAOYSA-N 0 0 322.434 0.636 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000190462416 519648789 /nfs/dbraw/zinc/64/87/89/519648789.db2.gz BPYVGPDSKFNNRW-UHFFFAOYSA-N 0 0 317.267 0.983 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000365938710 519698544 /nfs/dbraw/zinc/69/85/44/519698544.db2.gz XMZFNCONQINSDC-CJYSPXJISA-N 0 0 321.421 0.807 10 0 DCAERN CC(C)NC(=O)c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000124647844 519716975 /nfs/dbraw/zinc/71/69/75/519716975.db2.gz UATWJZBLRUEZGB-UHFFFAOYSA-N 0 0 303.362 0.787 10 0 DCAERN CC(C)[C@H](C(=O)NCc1ccnn1C)N1CCCS1(=O)=O ZINC000131734476 519809762 /nfs/dbraw/zinc/80/97/62/519809762.db2.gz BHBLKWDRTYVKRS-GFCCVEGCSA-N 0 0 314.411 0.096 10 0 DCAERN CCCNC(=O)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157474683 519879803 /nfs/dbraw/zinc/87/98/03/519879803.db2.gz NXBYRDQAPVGMPA-UHFFFAOYSA-N 0 0 304.393 0.408 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@H]1CCOC1)[C@H]2C ZINC000364844154 519895825 /nfs/dbraw/zinc/89/58/25/519895825.db2.gz MSUJKXLBBMGEGC-QWRGUYRKSA-N 0 0 314.411 0.897 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccnn1C)[C@H]2C ZINC000364843726 519895951 /nfs/dbraw/zinc/89/59/51/519895951.db2.gz LWGQPJZDZHPGJE-JTQLQIEISA-N 0 0 324.410 0.901 10 0 DCAERN CCN(C(=O)C(=O)Nc1cnn(CC(N)=O)c1)C1CCCCC1 ZINC000161828712 519899734 /nfs/dbraw/zinc/89/97/34/519899734.db2.gz IFMGNCKAQIOXQP-UHFFFAOYSA-N 0 0 321.381 0.488 10 0 DCAERN CCN(CC(N)=O)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000189675848 520429082 /nfs/dbraw/zinc/42/90/82/520429082.db2.gz DMHBSCISRIJCSN-UHFFFAOYSA-N 0 0 317.389 0.873 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000247117332 520523551 /nfs/dbraw/zinc/52/35/51/520523551.db2.gz JJULPNXIGYUUIN-NWDGAFQWSA-N 0 0 304.412 0.486 10 0 DCAERN NC(=O)c1cncc(N2CCC(N3CCCCC3=O)CC2)n1 ZINC000301694974 534504931 /nfs/dbraw/zinc/50/49/31/534504931.db2.gz YEWMXNAHTSKMNP-UHFFFAOYSA-N 0 0 303.366 0.557 10 0 DCAERN CC1(CNC(=O)c2n[nH]c(=O)c3ccccc32)OCCCO1 ZINC000191141468 520731652 /nfs/dbraw/zinc/73/16/52/520731652.db2.gz QVZCYDWCFUPWFB-UHFFFAOYSA-N 0 0 303.318 0.806 10 0 DCAERN NC(=O)c1coc(CNC(=O)C(=O)Nc2c(F)cccc2F)c1 ZINC000189643761 534513326 /nfs/dbraw/zinc/51/33/26/534513326.db2.gz GXBUKUKDZLSSDX-UHFFFAOYSA-N 0 0 323.255 0.912 10 0 DCAERN CCN(CCO)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188260894 521091489 /nfs/dbraw/zinc/09/14/89/521091489.db2.gz VLVOGBCDLUWEMY-CQSZACIVSA-N 0 0 323.368 0.950 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117285722 521093447 /nfs/dbraw/zinc/09/34/47/521093447.db2.gz FUOXZYVRJZRFMF-CHWSQXEVSA-N 0 0 314.430 0.393 10 0 DCAERN CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967267 521342492 /nfs/dbraw/zinc/34/24/92/521342492.db2.gz DRANWLHVVHBVOZ-WDEREUQCSA-N 0 0 305.444 0.303 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)NCc1noc(C)n1 ZINC000124457677 521456118 /nfs/dbraw/zinc/45/61/18/521456118.db2.gz QLVFOCYQWHFXRN-UHFFFAOYSA-N 0 0 318.333 0.823 10 0 DCAERN CCOc1ncccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366083116 521613369 /nfs/dbraw/zinc/61/33/69/521613369.db2.gz JETRVCMEEBQBGL-OAHLLOKOSA-N 0 0 318.333 0.295 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121708557 521642273 /nfs/dbraw/zinc/64/22/73/521642273.db2.gz ZKUIZIYXHBGZLF-TZMCWYRMSA-N 0 0 318.439 0.758 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000130786463 521670113 /nfs/dbraw/zinc/67/01/13/521670113.db2.gz ULCALQGWNUHTQY-GFCCVEGCSA-N 0 0 314.411 0.294 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000127578681 521740582 /nfs/dbraw/zinc/74/05/82/521740582.db2.gz ASUJBWBRGHWTFA-NSHDSACASA-N 0 0 305.382 0.753 10 0 DCAERN CNC(=O)c1ccc(N2CCCN(c3cccnn3)CC2)nn1 ZINC000266832711 521832286 /nfs/dbraw/zinc/83/22/86/521832286.db2.gz ILDTXRFRNURKIB-UHFFFAOYSA-N 0 0 313.365 0.343 10 0 DCAERN COc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1F ZINC000132272609 522120382 /nfs/dbraw/zinc/12/03/82/522120382.db2.gz JPQYHPNCKORPSO-LBPRGKRZSA-N 0 0 312.341 0.257 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccc(OC)cc2O)CC1 ZINC000156721169 522555525 /nfs/dbraw/zinc/55/55/25/522555525.db2.gz VOEAZUYDFKZUGH-LBPRGKRZSA-N 0 0 308.378 0.930 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cn1 ZINC000130627976 522558844 /nfs/dbraw/zinc/55/88/44/522558844.db2.gz ICASDIUCKALMIH-UHFFFAOYSA-N 0 0 303.366 0.284 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000189601654 522647373 /nfs/dbraw/zinc/64/73/73/522647373.db2.gz BSQNAZLBSZDFQM-NSHDSACASA-N 0 0 306.366 0.009 10 0 DCAERN CNc1nnc(CC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)s1 ZINC000190682194 522720255 /nfs/dbraw/zinc/72/02/55/522720255.db2.gz IYUKTNLXPDGWRL-YGOYTEALSA-N 0 0 324.406 0.922 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000186320692 522761073 /nfs/dbraw/zinc/76/10/73/522761073.db2.gz PHYQYAQIWLRBML-UHFFFAOYSA-N 0 0 318.160 0.975 10 0 DCAERN COCc1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116834536 523027996 /nfs/dbraw/zinc/02/79/96/523027996.db2.gz ARSDNLFOGAMMSE-CYBMUJFWSA-N 0 0 312.391 0.597 10 0 DCAERN CC[C@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000366059972 523163565 /nfs/dbraw/zinc/16/35/65/523163565.db2.gz PWCVGUMCDHVCRE-SDDRHHMPSA-N 0 0 304.412 0.294 10 0 DCAERN COC(=O)C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccccc1 ZINC000191682652 523270995 /nfs/dbraw/zinc/27/09/95/523270995.db2.gz OLUCFYOQDVNYML-CYBMUJFWSA-N 0 0 304.346 0.933 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)C3(C(=O)NC)CC3)CCO2)cn1 ZINC000191719143 523464391 /nfs/dbraw/zinc/46/43/91/523464391.db2.gz QOWLAAQXMNRTDX-LBPRGKRZSA-N 0 0 306.366 0.329 10 0 DCAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NCCCOC)CCO2)cn1 ZINC000190800926 523465706 /nfs/dbraw/zinc/46/57/06/523465706.db2.gz OSQPCKRSMWRMIO-ZFWWWQNUSA-N 0 0 324.425 0.818 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000190776339 523482501 /nfs/dbraw/zinc/48/25/01/523482501.db2.gz VZOBWERPWGVEBF-LSDHHAIUSA-N 0 0 322.409 0.572 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H](C)n1nc(C)cc1C ZINC000247740775 523768264 /nfs/dbraw/zinc/76/82/64/523768264.db2.gz WWANKACQSPYSOH-UPJWGTAASA-N 0 0 309.366 0.850 10 0 DCAERN COc1ccc(C=O)c(OCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000369385538 523885903 /nfs/dbraw/zinc/88/59/03/523885903.db2.gz XMQDBYRICQFWTQ-UHFFFAOYSA-N 0 0 316.317 0.562 10 0 DCAERN COCCNC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000184856238 523904782 /nfs/dbraw/zinc/90/47/82/523904782.db2.gz MDDBWYOGUBIJCZ-UHFFFAOYSA-N 0 0 312.345 0.503 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CCN(c2cccnn2)CC1 ZINC000158031068 523941137 /nfs/dbraw/zinc/94/11/37/523941137.db2.gz MWBCOVGPNXXCMQ-HNNXBMFYSA-N 0 0 313.361 0.908 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCC1=O ZINC000131091249 524011523 /nfs/dbraw/zinc/01/15/23/524011523.db2.gz WNYUHSWUZROGBW-STQMWFEESA-N 0 0 318.377 0.003 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@H](c3nccs3)C2)CCC1=O ZINC000162902229 524022936 /nfs/dbraw/zinc/02/29/36/524022936.db2.gz YUWWQFOVZMMAJW-MNOVXSKESA-N 0 0 324.406 0.847 10 0 DCAERN COCCO[C@H]1CCN(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000187954690 524037277 /nfs/dbraw/zinc/03/72/77/524037277.db2.gz PTYJVVJYDZJEAJ-LBPRGKRZSA-N 0 0 304.350 0.915 10 0 DCAERN COc1ccc(CN2C[C@@H](C(=O)N3CC(CO)C3)CC2=O)cc1 ZINC000184233129 524040495 /nfs/dbraw/zinc/04/04/95/524040495.db2.gz FLWHOSYSAHPRNQ-AWEZNQCLSA-N 0 0 318.373 0.494 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000124359688 524075168 /nfs/dbraw/zinc/07/51/68/524075168.db2.gz CLHXKADBPXICLW-CHWSQXEVSA-N 0 0 320.389 0.990 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)N1CC(O)C1)C(C)C ZINC000156271675 524354204 /nfs/dbraw/zinc/35/42/04/524354204.db2.gz QTZBZEYTOXPMML-AWEZNQCLSA-N 0 0 306.362 0.653 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)C[C@H](C)O1 ZINC000270503380 524451642 /nfs/dbraw/zinc/45/16/42/524451642.db2.gz DWLWQMDGQNMXOV-UWVGGRQHSA-N 0 0 306.366 0.483 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)[C@@H]1CO ZINC000190235899 524463160 /nfs/dbraw/zinc/46/31/60/524463160.db2.gz IWFMNEUIXZQAGV-TZMCWYRMSA-N 0 0 305.378 0.829 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000158350979 524799213 /nfs/dbraw/zinc/79/92/13/524799213.db2.gz 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/nfs/dbraw/zinc/62/83/86/525628386.db2.gz QDBZXSOOXJRLJU-VXGBXAGGSA-N 0 0 304.389 0.235 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000156456981 525640611 /nfs/dbraw/zinc/64/06/11/525640611.db2.gz BYCADKVEWLSNPG-NXEZZACHSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154119620 525952588 /nfs/dbraw/zinc/95/25/88/525952588.db2.gz FGTKTFCHBWPRFN-ZIAGYGMSSA-N 0 0 308.378 0.263 10 0 DCAERN Cc1cnc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154476129 525973315 /nfs/dbraw/zinc/97/33/15/525973315.db2.gz DNBSTWCDUGCVHB-GFCCVEGCSA-N 0 0 300.366 0.917 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)NCc2ccnn2C)cc1 ZINC000111451255 526166152 /nfs/dbraw/zinc/16/61/52/526166152.db2.gz GWYJZGJZGCKSLZ-UHFFFAOYSA-N 0 0 315.377 0.958 10 0 DCAERN COc1cccc(O[C@@H](C)CNC(=O)N2CCO[C@@H](CO)C2)c1 ZINC000267531680 526238214 /nfs/dbraw/zinc/23/82/14/526238214.db2.gz AGIPAGLGLWUMDH-SWLSCSKDSA-N 0 0 324.377 0.865 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173767139 526310606 /nfs/dbraw/zinc/31/06/06/526310606.db2.gz UUXXQLLWDDYCFB-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000331215729 526469505 /nfs/dbraw/zinc/46/95/05/526469505.db2.gz VMLHJLIZZMAVQI-IAQYHMDHSA-N 0 0 306.362 0.891 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H](F)C[C@H]1CO ZINC000364601071 526524439 /nfs/dbraw/zinc/52/44/39/526524439.db2.gz CNOJXAQOBJOLJP-TUAOUCFPSA-N 0 0 310.325 0.559 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000187888503 526530032 /nfs/dbraw/zinc/53/00/32/526530032.db2.gz MFWJGPMHIXUMOK-SWLSCSKDSA-N 0 0 312.410 0.633 10 0 DCAERN O=C([C@H]1CCCCO1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000123902292 526535813 /nfs/dbraw/zinc/53/58/13/526535813.db2.gz OARRGRBLRRASJS-GFCCVEGCSA-N 0 0 316.365 0.342 10 0 DCAERN Cc1oc(C(=O)N[C@H](C)[C@@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000131875268 526761165 /nfs/dbraw/zinc/76/11/65/526761165.db2.gz MXVOWUJIKFFITP-DTWKUNHWSA-N 0 0 318.395 0.585 10 0 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WROCGGRPBAQZRW-INIZCTEOSA-N 0 0 306.362 0.490 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)[C@@H](C)CO ZINC000131072868 527201528 /nfs/dbraw/zinc/20/15/28/527201528.db2.gz YJWVQEMLZLTVMH-IUCAKERBSA-N 0 0 320.397 0.389 10 0 DCAERN Cn1cc([C@H]2CCN(Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897623 527319446 /nfs/dbraw/zinc/31/94/46/527319446.db2.gz DIUWGKLDRVNVOM-VIFPVBQESA-N 0 0 315.303 0.958 10 0 DCAERN C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)N1CC(CO)C1 ZINC000410633296 527501951 /nfs/dbraw/zinc/50/19/51/527501951.db2.gz GDNDHSQRMFTUMS-JYRVWZFOSA-N 0 0 302.374 0.999 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188877918 527634791 /nfs/dbraw/zinc/63/47/91/527634791.db2.gz WNONPKBHFPZWAL-UHFFFAOYSA-N 0 0 319.409 0.847 10 0 DCAERN Cn1nnc2ccc(C(=O)NCC(=O)NCC(F)(F)F)cc21 ZINC000182912668 527647921 /nfs/dbraw/zinc/64/79/21/527647921.db2.gz AEZHEQIVSCPBBK-UHFFFAOYSA-N 0 0 315.255 0.377 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1cccnn1 ZINC000190403609 527668862 /nfs/dbraw/zinc/66/88/62/527668862.db2.gz YCWIDUUIPSSANY-UHFFFAOYSA-N 0 0 301.759 0.997 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000158311018 528129808 /nfs/dbraw/zinc/12/98/08/528129808.db2.gz JSSFTFQHRROAGN-GFCCVEGCSA-N 0 0 318.443 0.310 10 0 DCAERN CCOc1c(F)cccc1C(=O)NCCS(=O)(=O)NC ZINC000188978646 528183019 /nfs/dbraw/zinc/18/30/19/528183019.db2.gz SVTCJMLGBZGMPV-UHFFFAOYSA-N 0 0 304.343 0.503 10 0 DCAERN CC1CCC(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000155397862 528196869 /nfs/dbraw/zinc/19/68/69/528196869.db2.gz WMVBIQNEUQSSPE-OTTFEQOBSA-N 0 0 302.440 0.800 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733711 528216678 /nfs/dbraw/zinc/21/66/78/528216678.db2.gz GLILUNQDDADZRE-LLVKDONJSA-N 0 0 315.443 0.893 10 0 DCAERN CCOc1cc(C(=O)NCCS(=O)(=O)NC)ccc1C ZINC000188970252 528223697 /nfs/dbraw/zinc/22/36/97/528223697.db2.gz WPRFOYPGBMEQLX-UHFFFAOYSA-N 0 0 300.380 0.673 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188746973 528238738 /nfs/dbraw/zinc/23/87/38/528238738.db2.gz BKFIUXHQMANKIG-ZDUSSCGKSA-N 0 0 320.455 0.116 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1S(=O)(=O)CCCCOC ZINC000189215764 528493448 /nfs/dbraw/zinc/49/34/48/528493448.db2.gz JMWBGLYYZVJJQI-CYBMUJFWSA-N 0 0 306.428 0.733 10 0 DCAERN CCCCNC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176574964 528525903 /nfs/dbraw/zinc/52/59/03/528525903.db2.gz WXEULZJPQCEKAH-SBKAZYGRSA-N 0 0 301.416 0.808 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1C ZINC000173537741 528744888 /nfs/dbraw/zinc/74/48/88/528744888.db2.gz PMSRFAMHUUFNHZ-ZDUSSCGKSA-N 0 0 322.409 0.960 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173062324 528876599 /nfs/dbraw/zinc/87/65/99/528876599.db2.gz CVYAWFQGEOPLGE-RYUDHWBXSA-N 0 0 316.427 0.596 10 0 DCAERN CC(C)N1C(=O)C[C@@H](Nc2nn3c(nccc3=O)s2)C1=O ZINC000301499726 528976595 /nfs/dbraw/zinc/97/65/95/528976595.db2.gz WJKQANQIQRMLBP-SSDOTTSWSA-N 0 0 307.335 0.099 10 0 DCAERN CCN1CCN(CC(=O)NC2CCC(C)(C)CC2)C(=O)C1=O ZINC000129322911 529137653 /nfs/dbraw/zinc/13/76/53/529137653.db2.gz WYJBYULOEGKLDN-UHFFFAOYSA-N 0 0 309.410 0.762 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459606323 535574692 /nfs/dbraw/zinc/57/46/92/535574692.db2.gz MZPWGTPEPIZPKA-NSHDSACASA-N 0 0 320.353 0.563 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457715070 535589666 /nfs/dbraw/zinc/58/96/66/535589666.db2.gz UXXRUDNWKKWWIO-INIZCTEOSA-N 0 0 323.345 0.826 10 0 DCAERN CN(CCCO)C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000442992812 536356325 /nfs/dbraw/zinc/35/63/25/536356325.db2.gz MOWIKUACIVWJQP-UHFFFAOYSA-N 0 0 319.405 0.985 10 0 DCAERN CN(CCCO)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000440945448 536356782 /nfs/dbraw/zinc/35/67/82/536356782.db2.gz BCLYCUBZVZEXFH-UHFFFAOYSA-N 0 0 315.320 0.334 10 0 DCAERN CN1CC[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@@H]2C1 ZINC000285655332 536480084 /nfs/dbraw/zinc/48/00/84/536480084.db2.gz GEHCLZAJHOUAII-GHMZBOCLSA-N 0 0 309.391 0.392 10 0 DCAERN COC[C@@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)OC ZINC000457700173 536713983 /nfs/dbraw/zinc/71/39/83/536713983.db2.gz XDAOZIAWPWFGNY-GFCCVEGCSA-N 0 0 309.318 0.699 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC000457492312 536880321 /nfs/dbraw/zinc/88/03/21/536880321.db2.gz BOOUETODJQYTSK-UHFFFAOYSA-N 0 0 319.361 0.025 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3onc(CC)c3c2)C1 ZINC000121631091 545749501 /nfs/dbraw/zinc/74/95/01/545749501.db2.gz GAZWBKORJXGEAP-UHFFFAOYSA-N 0 0 302.334 0.993 10 0 DCAERN CCNC(=O)C1CN(C(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000176424369 545887805 /nfs/dbraw/zinc/88/78/05/545887805.db2.gz RKYWUNHFNZCLHO-UHFFFAOYSA-N 0 0 317.393 0.288 10 0 DCAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1S(N)(=O)=O ZINC000179426624 545899385 /nfs/dbraw/zinc/89/93/85/545899385.db2.gz GXUXGVMHBARTQY-VHSXEESVSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1S(N)(=O)=O ZINC000179454651 545899407 /nfs/dbraw/zinc/89/94/07/545899407.db2.gz RCPPEKVJECNPFG-NEPJUHHUSA-N 0 0 312.391 0.676 10 0 DCAERN C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCCO1 ZINC000183122986 545907076 /nfs/dbraw/zinc/90/70/76/545907076.db2.gz JHJMXXFDFBLWNS-KGLIPLIRSA-N 0 0 313.442 0.371 10 0 DCAERN C[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCCO1 ZINC000183123003 545907429 /nfs/dbraw/zinc/90/74/29/545907429.db2.gz JHJMXXFDFBLWNS-UONOGXRCSA-N 0 0 313.442 0.371 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)ncn1 ZINC000183846707 545909480 /nfs/dbraw/zinc/90/94/80/545909480.db2.gz IZYOSBWCSRNZNW-GFCCVEGCSA-N 0 0 320.393 0.949 10 0 DCAERN CCC1(CC)CN(C[C@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000185276017 545912515 /nfs/dbraw/zinc/91/25/15/545912515.db2.gz OIENOBVYTWUKOY-ZSEKCTLFSA-N 0 0 316.467 0.593 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000193355244 545931061 /nfs/dbraw/zinc/93/10/61/545931061.db2.gz LWFMPGOBHGYTSD-MRCXROJRSA-N 0 0 322.336 0.921 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)ccn1C ZINC000195269126 545934004 /nfs/dbraw/zinc/93/40/04/545934004.db2.gz BWTSKENMMYKZMU-ZDUSSCGKSA-N 0 0 301.350 0.602 10 0 DCAERN O=C(c1ccc(F)c(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000211638710 545937303 /nfs/dbraw/zinc/93/73/03/545937303.db2.gz OGONAMARMPIMNI-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN Cn1cc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)cn1 ZINC000238815363 545960037 /nfs/dbraw/zinc/96/00/37/545960037.db2.gz BIBLLXJRLDQENS-UHFFFAOYSA-N 0 0 307.375 0.228 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000248963105 545969909 /nfs/dbraw/zinc/96/99/09/545969909.db2.gz RJEYQXMMPCVBIC-QWRGUYRKSA-N 0 0 308.407 0.923 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000249602931 545972279 /nfs/dbraw/zinc/97/22/79/545972279.db2.gz YWAPZOHRKCEURY-NEPJUHHUSA-N 0 0 308.382 0.402 10 0 DCAERN Cc1nc(C)c(Br)c(N2CCOC[C@H]2C(N)=O)n1 ZINC000323189436 546036935 /nfs/dbraw/zinc/03/69/35/546036935.db2.gz MBZMRESZCAWVGT-QMMMGPOBSA-N 0 0 315.171 0.546 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H]3CCCCN3C[C@@H]2C)cn1C ZINC000329629245 546052856 /nfs/dbraw/zinc/05/28/56/546052856.db2.gz HLHBSKVHYNESJL-WCQYABFASA-N 0 0 312.439 0.976 10 0 DCAERN C[C@]12CCCN1C(=O)N(C[C@@H]1CCCCS1(=O)=O)C2=O ZINC000330340634 546057559 /nfs/dbraw/zinc/05/75/59/546057559.db2.gz YEFNLHKXWTUYRZ-GXFFZTMASA-N 0 0 300.380 0.770 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1COCCO1)CC2 ZINC000332866157 546064238 /nfs/dbraw/zinc/06/42/38/546064238.db2.gz UFKAFBFWBBZNHK-NWDGAFQWSA-N 0 0 323.397 0.431 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000333350799 546078380 /nfs/dbraw/zinc/07/83/80/546078380.db2.gz FGQBJAYWTXBLRP-MQIPJXDCSA-N 0 0 323.393 0.470 10 0 DCAERN C[C@@]12CN(C(=O)CN3CCC(=O)NC3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333530547 546084152 /nfs/dbraw/zinc/08/41/52/546084152.db2.gz PYYZDZWNAQWHSX-JBBSTSQOSA-N 0 0 305.378 0.823 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000333541648 546084162 /nfs/dbraw/zinc/08/41/62/546084162.db2.gz JHPCDFYOETYOST-NWDGAFQWSA-N 0 0 310.402 0.200 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000333848622 546093775 /nfs/dbraw/zinc/09/37/75/546093775.db2.gz WTGVSJCIFACSCR-MCIONIFRSA-N 0 0 308.426 0.781 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2[O-])C1 ZINC000402808775 546227143 /nfs/dbraw/zinc/22/71/43/546227143.db2.gz CVHFAQCNCUFKQY-ZDUSSCGKSA-N 0 0 301.364 0.554 10 0 DCAERN O=C1NC(=O)N2CCN(c3ncnc4c(F)cccc43)C[C@H]12 ZINC000575443808 546299037 /nfs/dbraw/zinc/29/90/37/546299037.db2.gz ONPVKJWKSWHHNN-SNVBAGLBSA-N 0 0 301.281 0.509 10 0 DCAERN O=C1CC2(CN(c3ccnc(-c4ccccc4)n3)C2)NCCN1 ZINC000606445119 546310556 /nfs/dbraw/zinc/31/05/56/546310556.db2.gz BGQUOZKJHZVMMP-UHFFFAOYSA-N 0 0 309.373 0.812 10 0 DCAERN C[C@@H]1CN(Cc2cnc([N-]S(C)(=O)=O)s2)CC[C@@H]1[NH3+] ZINC000725272287 548750362 /nfs/dbraw/zinc/75/03/62/548750362.db2.gz OOGLQWZBYBTIHF-SCZZXKLOSA-N 0 0 304.441 0.684 10 0 DCAERN Cc1ccc([C@@H](C)CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000737645720 660700451 /nfs/dbraw/zinc/70/04/51/660700451.db2.gz AHTJXPWWFZQOED-LBPRGKRZSA-N 0 0 315.373 0.926 10 0 DCAERN CSC(C)(C)CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000075364130 661044182 /nfs/dbraw/zinc/04/41/82/661044182.db2.gz VFESWWZIFSWLQU-UHFFFAOYSA-N 0 0 309.395 0.388 10 0 DCAERN Cn1nnc(Br)c1C(=O)NCC[C@H]1CCOC1 ZINC000310186987 661121888 /nfs/dbraw/zinc/12/18/88/661121888.db2.gz XTSFVBFXVAEBAX-ZETCQYMHSA-N 0 0 303.160 0.734 10 0 DCAERN Cc1cc(CO)oc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093625 661158931 /nfs/dbraw/zinc/15/89/31/661158931.db2.gz LNXDHKGOJBWRKX-QWHCGFSZSA-N 0 0 321.333 0.390 10 0 DCAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000888105402 661222187 /nfs/dbraw/zinc/22/21/87/661222187.db2.gz ZVTMJQQDUANGGO-DUWGPSABSA-N 0 0 305.378 0.148 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)c1ccsc1 ZINC000356250296 665422560 /nfs/dbraw/zinc/42/25/60/665422560.db2.gz HBYGLQUTITZMJA-GHMZBOCLSA-N 0 0 300.405 0.819 10 0 DCAERN COCCN1C[C@H](C(=O)O[C@@H](C)CCn2cccn2)CC1=O ZINC000180331183 665434769 /nfs/dbraw/zinc/43/47/69/665434769.db2.gz WXNWGKHZZFDIBC-QWHCGFSZSA-N 0 0 309.366 0.700 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000343568595 657539320 /nfs/dbraw/zinc/53/93/20/657539320.db2.gz AFQKOHJTYWXOBC-WPRPVWTQSA-N 0 0 302.396 0.754 10 0 DCAERN O=S1(=O)CCC[C@@H](NCc2cnn(-c3ccccc3)n2)C1 ZINC000069140566 657555308 /nfs/dbraw/zinc/55/53/08/657555308.db2.gz FIYJQOJDZXFYEY-GFCCVEGCSA-N 0 0 306.391 0.934 10 0 DCAERN CCc1cnc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000234188691 657975436 /nfs/dbraw/zinc/97/54/36/657975436.db2.gz ALTOHDJNSRMWRP-SECBINFHSA-N 0 0 317.436 0.098 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1 ZINC000097362680 658035028 /nfs/dbraw/zinc/03/50/28/658035028.db2.gz BXCHGEKFANCOGW-UHFFFAOYSA-N 0 0 301.350 0.741 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721587954 658173364 /nfs/dbraw/zinc/17/33/64/658173364.db2.gz NCVBCAMOGOHXNO-XQHKEYJVSA-N 0 0 305.440 0.982 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nnnn1CC ZINC000891339464 658313510 /nfs/dbraw/zinc/31/35/10/658313510.db2.gz BFEYJEKCUDZTQY-NXEZZACHSA-N 0 0 305.342 0.626 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCC[C@](O)(CO)C1 ZINC000722701217 658426094 /nfs/dbraw/zinc/42/60/94/658426094.db2.gz WCXYUGQLIFDFMD-XHDPSFHLSA-N 0 0 314.382 0.342 10 0 DCAERN C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cccnc1 ZINC000255285660 658477602 /nfs/dbraw/zinc/47/76/02/658477602.db2.gz OZRJFIFVEDDPAO-ZADCQDASSA-N 0 0 315.329 0.797 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2cccc(F)c2)CC1=O ZINC000723352689 658639611 /nfs/dbraw/zinc/63/96/11/658639611.db2.gz MLZLSGLASNDYAP-SNVBAGLBSA-N 0 0 300.355 0.972 10 0 DCAERN COCCOCCN(C)C(=O)c1csc(C(=O)OC)n1 ZINC000721425634 658674819 /nfs/dbraw/zinc/67/48/19/658674819.db2.gz GSAYLGAKAQNSOF-UHFFFAOYSA-N 0 0 302.352 0.665 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCS(=O)(=O)N(C)C)C1 ZINC000888079138 658729738 /nfs/dbraw/zinc/72/97/38/658729738.db2.gz DBMMLMWDZHUAHF-GHMZBOCLSA-N 0 0 302.400 0.063 10 0 DCAERN CCCCN(C(=O)C[C@@H](N)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000724722460 658930246 /nfs/dbraw/zinc/93/02/46/658930246.db2.gz VVJYUFNEVUEVSS-VHSXEESVSA-N 0 0 312.382 0.785 10 0 DCAERN CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@H]2CCOC2)cc1 ZINC000255909433 659022280 /nfs/dbraw/zinc/02/22/80/659022280.db2.gz GNVGAUUNNQLNFV-IRBQFCFKSA-N 0 0 310.375 0.976 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000311127582 659113808 /nfs/dbraw/zinc/11/38/08/659113808.db2.gz QBUSTJMJMKMQPR-YUMQZZPRSA-N 0 0 317.187 0.859 10 0 DCAERN COc1cc(N2CCN(CC(=O)OCC(C)C)CC2)ncn1 ZINC000184078536 659210429 /nfs/dbraw/zinc/21/04/29/659210429.db2.gz MCUMUAIWRSURBI-UHFFFAOYSA-N 0 0 308.382 0.806 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(N)ccc2C)C1 ZINC000312429827 659291968 /nfs/dbraw/zinc/29/19/68/659291968.db2.gz BBOLQYZPBBGFJS-NWDGAFQWSA-N 0 0 300.380 0.348 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Nc1cnc2ccnn2c1 ZINC000888923907 659425085 /nfs/dbraw/zinc/42/50/85/659425085.db2.gz MZWBMKBFVZQZQL-RYUDHWBXSA-N 0 0 305.338 0.997 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(CC(F)F)n1 ZINC000193842284 659463181 /nfs/dbraw/zinc/46/31/81/659463181.db2.gz WJPIBQUNXYOYLG-BDAKNGLRSA-N 0 0 300.309 0.874 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000222650710 661626178 /nfs/dbraw/zinc/62/61/78/661626178.db2.gz KBYZFQYHPCZTKQ-KBPBESRZSA-N 0 0 303.362 0.823 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178840229 661630351 /nfs/dbraw/zinc/63/03/51/661630351.db2.gz XUUACBZRZQPEED-VBROQKIQSA-N 0 0 318.377 0.341 10 0 DCAERN O=C(NCCCn1ccnn1)NNC(=O)c1ccc(Cl)cc1 ZINC000182465280 665824791 /nfs/dbraw/zinc/82/47/91/665824791.db2.gz FFCJFRRSIVNOTM-UHFFFAOYSA-N 0 0 322.756 0.966 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@@H]1C ZINC000895582547 662197454 /nfs/dbraw/zinc/19/74/54/662197454.db2.gz TXSMCJNEIDKZRG-STQMWFEESA-N 0 0 318.421 0.967 10 0 DCAERN Cc1cc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n2ncnc2n1 ZINC000089893218 662548911 /nfs/dbraw/zinc/54/89/11/662548911.db2.gz RANGSINCGUATGE-ZIAGYGMSSA-N 0 0 316.409 0.858 10 0 DCAERN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000262927471 662599910 /nfs/dbraw/zinc/59/99/10/662599910.db2.gz HOIBBPQTKXUAIO-JQWIXIFHSA-N 0 0 309.316 0.905 10 0 DCAERN COCCS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000078257929 662858098 /nfs/dbraw/zinc/85/80/98/662858098.db2.gz NMLNSXNVJLSERW-UHFFFAOYSA-N 0 0 310.375 0.684 10 0 DCAERN COCCOc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000344945121 663081068 /nfs/dbraw/zinc/08/10/68/663081068.db2.gz OSJVNFDHRHFARR-QWRGUYRKSA-N 0 0 303.380 0.759 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC000898861209 663110791 /nfs/dbraw/zinc/11/07/91/663110791.db2.gz VVMNYLZZKSTODI-GVXVVHGQSA-N 0 0 308.382 0.986 10 0 DCAERN CCNC(=O)CN(CC)C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900301241 663233401 /nfs/dbraw/zinc/23/34/01/663233401.db2.gz NMCXWURERKNGSF-YOGCLGLASA-N 0 0 312.435 0.929 10 0 DCAERN CCC/C=C/[C@H](O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000900833569 663285710 /nfs/dbraw/zinc/28/57/10/663285710.db2.gz RNIFQGMFCRMCRY-NSDHSQQOSA-N 0 0 320.393 0.749 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)CNC(=O)N2CCCC2)no1 ZINC000900868750 663291575 /nfs/dbraw/zinc/29/15/75/663291575.db2.gz SLWUGUZYPJPPBV-LLVKDONJSA-N 0 0 307.354 0.847 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)Cc1nncn1C(C)C ZINC000347553904 663518949 /nfs/dbraw/zinc/51/89/49/663518949.db2.gz IUNGRRFFLSBFAT-NSHDSACASA-N 0 0 311.411 0.739 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCC[C@@H](C)C1 ZINC000031471152 663583609 /nfs/dbraw/zinc/58/36/09/663583609.db2.gz MDZAXGRKXNNNCP-HUUCEWRRSA-N 0 0 303.406 0.366 10 0 DCAERN O=C(CSCC(F)(F)F)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909177289 663783814 /nfs/dbraw/zinc/78/38/14/663783814.db2.gz YWSSVYWUONBHTJ-WEDXCCLWSA-N 0 0 309.313 0.969 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c(C2CC2)n1 ZINC000909189100 663785826 /nfs/dbraw/zinc/78/58/26/663785826.db2.gz ZSKMXKOFQCEBAG-BZPMIXESSA-N 0 0 301.350 0.598 10 0 DCAERN CS(=O)(=O)NCCC(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185110953 666334861 /nfs/dbraw/zinc/33/48/61/666334861.db2.gz QKMSBMJAFRMYDE-QMMMGPOBSA-N 0 0 318.317 0.106 10 0 DCAERN O=C(N[C@H](CO)Cc1ccccc1)c1nn2c(c1F)OCC2 ZINC000223844220 664424211 /nfs/dbraw/zinc/42/42/11/664424211.db2.gz NNZZJSSDKCQYAP-NSHDSACASA-N 0 0 305.309 0.748 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(CCOC)cc1 ZINC000735079770 666947004 /nfs/dbraw/zinc/94/70/04/666947004.db2.gz FXGQXSMRDAIOBA-LJQANCHMSA-N 0 0 319.448 0.922 10 0 DCAERN Cn1cc(S(=O)(=O)NCc2cccnc2-n2ccnc2)cn1 ZINC000058561154 664496598 /nfs/dbraw/zinc/49/65/98/664496598.db2.gz CXDYOILMLWDXLQ-UHFFFAOYSA-N 0 0 318.362 0.479 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cnc(N)nc2)CC(C)(C)O1 ZINC000226442903 664513438 /nfs/dbraw/zinc/51/34/38/664513438.db2.gz AXWYHXNRXGRULB-UHFFFAOYSA-N 0 0 300.384 0.637 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N1CCOC[C@@H]1CO ZINC000168611432 664526687 /nfs/dbraw/zinc/52/66/87/664526687.db2.gz MBRPZOYBVWDZNK-NSHDSACASA-N 0 0 300.380 0.744 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000170517273 664579742 /nfs/dbraw/zinc/57/97/42/664579742.db2.gz LPHTYPFZJKGRCX-WDEREUQCSA-N 0 0 302.330 0.918 10 0 DCAERN Cc1cc(N2CCN(C(=O)C(F)(F)F)CC2)n2ncnc2n1 ZINC000171248272 664605899 /nfs/dbraw/zinc/60/58/99/664605899.db2.gz XCVXJCYNOCWGMD-UHFFFAOYSA-N 0 0 314.271 0.644 10 0 DCAERN Cc1cc(C)n2nc(CCCOC(=O)[C@@H]3CNC(=O)C3)nc2n1 ZINC000171484367 664608673 /nfs/dbraw/zinc/60/86/73/664608673.db2.gz ORLSFQUSESQPRR-NSHDSACASA-N 0 0 317.349 0.353 10 0 DCAERN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cnn1C)C(C)C ZINC000230865543 664624756 /nfs/dbraw/zinc/62/47/56/664624756.db2.gz YUFWNSPHAZIEEY-MRVPVSSYSA-N 0 0 309.775 0.549 10 0 DCAERN CNC(=O)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000172945494 664625777 /nfs/dbraw/zinc/62/57/77/664625777.db2.gz NLHISNXYBNRFRA-UHFFFAOYSA-N 0 0 304.346 0.828 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCSC(F)(F)F ZINC000231945457 664634011 /nfs/dbraw/zinc/63/40/11/664634011.db2.gz BZXRKXPGMPQEAN-SSDOTTSWSA-N 0 0 320.358 0.132 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C(N)=O)c1ccccc1 ZINC000730307448 664681895 /nfs/dbraw/zinc/68/18/95/664681895.db2.gz NMUZCXUGXFDIEY-NWDGAFQWSA-N 0 0 308.359 0.678 10 0 DCAERN C[C@H]1CN(CN2C(=O)c3ccccc3C2=O)CCS1(=O)=O ZINC000151609172 664708927 /nfs/dbraw/zinc/70/89/27/664708927.db2.gz NRPSAUUEHVLAOD-JTQLQIEISA-N 0 0 308.359 0.359 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000313282630 664744070 /nfs/dbraw/zinc/74/40/70/664744070.db2.gz DFNKALGPKGSJOE-WDEREUQCSA-N 0 0 304.412 0.030 10 0 DCAERN COCCCN(C(=O)C1=COCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000730774211 664806379 /nfs/dbraw/zinc/80/63/79/664806379.db2.gz SBHRJPQVHAFKBN-ZDUSSCGKSA-N 0 0 317.407 0.733 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cc(C(N)=O)ccc1F ZINC000741422808 664841648 /nfs/dbraw/zinc/84/16/48/664841648.db2.gz LHWSXKWXNDONAK-HXUWFJFHSA-N 0 0 301.343 0.815 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000741423080 664841695 /nfs/dbraw/zinc/84/16/95/664841695.db2.gz RDZINAONHHHTDF-YUNKPMOVSA-N 0 0 302.371 0.927 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC000732359757 664918236 /nfs/dbraw/zinc/91/82/36/664918236.db2.gz BJQGVAOQSVCSMA-SKDRFNHKSA-N 0 0 319.317 0.441 10 0 DCAERN CN(C)c1cc(C(=O)Nc2ccn(CC(N)=O)n2)cc(Cl)n1 ZINC000733096833 665068900 /nfs/dbraw/zinc/06/89/00/665068900.db2.gz ACGJGBJBDGBNAW-UHFFFAOYSA-N 0 0 322.756 0.735 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCC(F)F)[C@H]2C ZINC000444386506 665118995 /nfs/dbraw/zinc/11/89/95/665118995.db2.gz XCHBUAUIAXLXQH-QMMMGPOBSA-N 0 0 315.324 0.686 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN2CCC(C(=O)N(C)C)CC2)C1=O ZINC000064382133 665313114 /nfs/dbraw/zinc/31/31/14/665313114.db2.gz IRRRVVGMMFXSBS-CYBMUJFWSA-N 0 0 324.425 0.855 10 0 DCAERN Cn1ncc2c1nnn(CN1CCC[C@H](C(F)(F)F)C1)c2=O ZINC000175682443 665331823 /nfs/dbraw/zinc/33/18/23/665331823.db2.gz UQZILELQWIIWDP-QMMMGPOBSA-N 0 0 316.287 0.757 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NN1Cc2ccccc2C1=O ZINC000183849723 666124798 /nfs/dbraw/zinc/12/47/98/666124798.db2.gz JPUSZIQCZGNHBK-UHFFFAOYSA-N 0 0 310.313 0.499 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCCCS(C)(=O)=O ZINC000357291631 666150765 /nfs/dbraw/zinc/15/07/65/666150765.db2.gz PZZBFYQUEBBXKJ-LLVKDONJSA-N 0 0 322.452 0.239 10 0 DCAERN Cn1c2ccncc2n(CN2CCO[C@@]3(CCOC3)C2)c1=O ZINC000184275404 666192866 /nfs/dbraw/zinc/19/28/66/666192866.db2.gz ZAEDQZCEVCQEPL-HNNXBMFYSA-N 0 0 304.350 0.184 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CC(N)=O)c1ccccc1 ZINC000358453778 666239332 /nfs/dbraw/zinc/23/93/32/666239332.db2.gz NNJMLJBKKBLFLX-CHWSQXEVSA-N 0 0 321.402 0.641 10 0 DCAERN Cn1c(=O)ccn(CC(=O)OCC(Cl)(Cl)Cl)c1=O ZINC000184608911 666241539 /nfs/dbraw/zinc/24/15/39/666241539.db2.gz DMFKIZWUMDBXEH-UHFFFAOYSA-N 0 0 315.540 0.460 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081491909 666253860 /nfs/dbraw/zinc/25/38/60/666253860.db2.gz HRRAZCFSRKJHGI-VIFPVBQESA-N 0 0 318.317 0.130 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000184681814 666256229 /nfs/dbraw/zinc/25/62/29/666256229.db2.gz RIXGTISBSGPIBA-ZIAGYGMSSA-N 0 0 306.362 0.474 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000185087583 666328091 /nfs/dbraw/zinc/32/80/91/666328091.db2.gz CLKDOGWHNXPLGA-CYBMUJFWSA-N 0 0 300.305 0.445 10 0 DCAERN C#CCN(CC#C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000072906773 666474467 /nfs/dbraw/zinc/47/44/67/666474467.db2.gz PYGCJMOUCKMCCX-UHFFFAOYSA-N 0 0 312.329 0.640 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)OC(=O)c1ccc2nnn(C)c2c1 ZINC000185680007 666546762 /nfs/dbraw/zinc/54/67/62/666546762.db2.gz QIFOPAOMAJGONV-VIFPVBQESA-N 0 0 311.363 0.948 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCc3ccnn3C)no2)c1 ZINC000185883829 666608208 /nfs/dbraw/zinc/60/82/08/666608208.db2.gz DZYWCMGRUYLPSQ-UHFFFAOYSA-N 0 0 314.349 0.934 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCc1cccnc1-n1ccnc1 ZINC000029724011 666609244 /nfs/dbraw/zinc/60/92/44/666609244.db2.gz SPHQOSPYRUUWMX-UHFFFAOYSA-N 0 0 316.365 0.591 10 0 DCAERN CCC1(NS(=O)(=O)N2CCC3(CC2)OCCO3)CCC1 ZINC000164185094 666663512 /nfs/dbraw/zinc/66/35/12/666663512.db2.gz UFZMXZNQPJLQQZ-UHFFFAOYSA-N 0 0 304.412 0.992 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCCCN1CCCC1=O ZINC000733487518 666749150 /nfs/dbraw/zinc/74/91/50/666749150.db2.gz CQRLGKPQQZRLGW-NSHDSACASA-N 0 0 300.380 0.464 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(Br)cnc2F)C1 ZINC000700923442 666784682 /nfs/dbraw/zinc/78/46/82/666784682.db2.gz UCHSFXZEJPIJJT-UHFFFAOYSA-N 0 0 316.130 0.944 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000733893454 666826947 /nfs/dbraw/zinc/82/69/47/666826947.db2.gz XGYGWWRDJLZVHQ-JLTPVHFHSA-N 0 0 310.375 0.904 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000733966362 666833059 /nfs/dbraw/zinc/83/30/59/666833059.db2.gz QWFPJIRXEOIPIR-IBGZPJMESA-N 0 0 318.420 0.093 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccc(OC)c(O)c1 ZINC000735107465 666946778 /nfs/dbraw/zinc/94/67/78/666946778.db2.gz HWTZGMDJHLSIPB-FQEVSTJZSA-N 0 0 300.380 0.969 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000735081066 666948151 /nfs/dbraw/zinc/94/81/51/666948151.db2.gz OMNRVPNSEKDVBS-LJQANCHMSA-N 0 0 319.404 0.505 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000735110764 666954653 /nfs/dbraw/zinc/95/46/53/666954653.db2.gz LDVCAHKMUACSDZ-GWNMQOMSSA-N 0 0 315.361 0.691 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1cccc(F)c1 ZINC000735116303 666956246 /nfs/dbraw/zinc/95/62/46/666956246.db2.gz HDKVTOUNPYSVFP-FQEVSTJZSA-N 0 0 300.355 0.440 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000735197401 666965608 /nfs/dbraw/zinc/96/56/08/666965608.db2.gz QBUXDQJFEGNZPV-JOCHJYFZSA-N 0 0 323.374 0.960 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000735198327 666966087 /nfs/dbraw/zinc/96/60/87/666966087.db2.gz HDLMEIGGWFJTIE-XFNZEKPQSA-N 0 0 324.402 0.685 10 0 DCAERN CSCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702790101 666994278 /nfs/dbraw/zinc/99/42/78/666994278.db2.gz OGWUGNRIDPBQGZ-ZJUUUORDSA-N 0 0 304.412 0.693 10 0 DCAERN COC[C@@H](O)CNC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000735567506 667004806 /nfs/dbraw/zinc/00/48/06/667004806.db2.gz PBQYNHSGECPEPC-ZDUSSCGKSA-N 0 0 323.349 0.768 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1F)N1CCO[C@H](CO)C1 ZINC000703023321 667031112 /nfs/dbraw/zinc/03/11/12/667031112.db2.gz LSLAANGTDIWQCU-ZETCQYMHSA-N 0 0 310.734 0.256 10 0 DCAERN CCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)n1 ZINC000862913822 667091573 /nfs/dbraw/zinc/09/15/73/667091573.db2.gz OAXIBTNQPFITMP-LDYMZIIASA-N 0 0 320.353 0.900 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000705781486 667375841 /nfs/dbraw/zinc/37/58/41/667375841.db2.gz XDLPXOVMTIJLOT-CMPLNLGQSA-N 0 0 322.365 0.434 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1cccc(Cl)n1 ZINC000708235697 667442333 /nfs/dbraw/zinc/44/23/33/667442333.db2.gz SRVFDAHKLKUKRD-UHFFFAOYSA-N 0 0 305.787 0.793 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(Cl)nc1F ZINC000707061914 667431037 /nfs/dbraw/zinc/43/10/37/667431037.db2.gz ITBIHLPPISVPBM-NKWVEPMBSA-N 0 0 310.734 0.302 10 0 DCAERN CC(=O)CCN(C)C(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000135582248 667612138 /nfs/dbraw/zinc/61/21/38/667612138.db2.gz MENCDPQZSSXKHL-UHFFFAOYSA-N 0 0 317.345 0.517 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CC3(C2)CCCOC3)C1=O ZINC000886078162 667729541 /nfs/dbraw/zinc/72/95/41/667729541.db2.gz OFHRTYGNLBPUOQ-ZDUSSCGKSA-N 0 0 310.394 0.653 10 0 DCAERN COc1ncccc1CCNC(=O)CN1CCCC[C@@H](O)C1=O ZINC000886078434 667729802 /nfs/dbraw/zinc/72/98/02/667729802.db2.gz ZAVNYOZFHPXBJK-CYBMUJFWSA-N 0 0 321.377 0.122 10 0 DCAERN Cn1nncc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000886088525 667730835 /nfs/dbraw/zinc/73/08/35/667730835.db2.gz IELYNIWBSZLSNC-GXTWGEPZSA-N 0 0 316.365 0.682 10 0 DCAERN Cc1ccc(F)c(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886093924 667731622 /nfs/dbraw/zinc/73/16/22/667731622.db2.gz KKJGUZHPPJXALA-KRWDZBQOSA-N 0 0 321.396 0.896 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@H](O)[C@@H](C)O)c1cccs1 ZINC000717377574 667734146 /nfs/dbraw/zinc/73/41/46/667734146.db2.gz CEJHEWWAERKMGF-IEBDPFPHSA-N 0 0 300.380 0.173 10 0 DCAERN CC(C)COCCC(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000741142521 667759969 /nfs/dbraw/zinc/75/99/69/667759969.db2.gz BINCEPAOLXFWIX-FQEVSTJZSA-N 0 0 304.456 0.572 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)NC[C@H](O)C(F)(F)F ZINC000741414207 667770507 /nfs/dbraw/zinc/77/05/07/667770507.db2.gz SRZPHBZETMARHA-IIYDVTGLSA-N 0 0 304.334 0.756 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)/C=C\c1ccc(Br)o1 ZINC000208579594 667771298 /nfs/dbraw/zinc/77/12/98/667771298.db2.gz UTOJATKAOGZRRF-QIUOEGRZSA-N 0 0 318.123 0.705 10 0 DCAERN O=C(CN1CCC2(C1)OCCO2)Nc1ccc2c(c1)OCO2 ZINC000741778702 667776502 /nfs/dbraw/zinc/77/65/02/667776502.db2.gz CBOOKIVGLUJBAP-UHFFFAOYSA-N 0 0 306.318 0.803 10 0 DCAERN O=C(CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2)NCC(F)(F)F ZINC000887006571 667833353 /nfs/dbraw/zinc/83/33/53/667833353.db2.gz VGHSHYCYKLNVPC-RKDXNWHRSA-N 0 0 324.299 0.101 10 0 DCAERN C[C@H](CCNS(=O)(=O)c1ncn(C)c1Cl)[S@](C)=O ZINC000123973167 667871292 /nfs/dbraw/zinc/87/12/92/667871292.db2.gz JIWLGQCVNZNDDH-IWEMQMMOSA-N 0 0 313.832 0.509 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1cccs1 ZINC000124897475 668159540 /nfs/dbraw/zinc/15/95/40/668159540.db2.gz KOJZNTOTVNPBMC-JTQLQIEISA-N 0 0 302.421 0.184 10 0 DCAERN CC[C@H]1CCCCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000124931128 668169034 /nfs/dbraw/zinc/16/90/34/668169034.db2.gz HKVYVCXOBQJNJY-STQMWFEESA-N 0 0 302.440 0.944 10 0 DCAERN CN1CCCc2ccc(S(=O)(=O)N3CCNC(=O)CC3)cc21 ZINC000125078255 668200529 /nfs/dbraw/zinc/20/05/29/668200529.db2.gz ARDPKMFVYFSXMC-UHFFFAOYSA-N 0 0 323.418 0.580 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2n[nH]cc2c1 ZINC000125178073 668227722 /nfs/dbraw/zinc/22/77/22/668227722.db2.gz FNPLRSULKTZNBW-NSHDSACASA-N 0 0 308.363 0.278 10 0 DCAERN CCOc1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126432362 668581857 /nfs/dbraw/zinc/58/18/57/668581857.db2.gz NHZHSXLZSJYUBJ-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1cccc(F)c1 ZINC000126495733 668614302 /nfs/dbraw/zinc/61/43/02/668614302.db2.gz JQPVMCAEMGJMRU-CYBMUJFWSA-N 0 0 314.382 0.261 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126560149 668622886 /nfs/dbraw/zinc/62/28/86/668622886.db2.gz AJUMVOZGOXSTDE-TZMCWYRMSA-N 0 0 310.419 0.949 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1nc(C2CC2)cs1 ZINC000126691214 668645414 /nfs/dbraw/zinc/64/54/14/668645414.db2.gz ANMYDZKMRDGCAN-SECBINFHSA-N 0 0 315.420 0.736 10 0 DCAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126731318 668651844 /nfs/dbraw/zinc/65/18/44/668651844.db2.gz TZWVSBICXJUHJU-DGCLKSJQSA-N 0 0 302.440 0.848 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1cc(F)ccc1F ZINC000126776340 668657765 /nfs/dbraw/zinc/65/77/65/668657765.db2.gz ITZOTYWMQCRNNE-NSHDSACASA-N 0 0 318.345 0.358 10 0 DCAERN CC[C@@](C)(O)CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000931223867 669160361 /nfs/dbraw/zinc/16/03/61/669160361.db2.gz VYTLCNHPAVYYTI-UONOGXRCSA-N 0 0 304.456 0.342 10 0 DCAERN CC[C@@H]1CN(CN2CC(=O)N(CC)C2=O)CCN1CC(F)F ZINC000129302709 669406612 /nfs/dbraw/zinc/40/66/12/669406612.db2.gz JQHGFWKWDNQUBF-LLVKDONJSA-N 0 0 318.368 0.889 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1N1CCOCC1 ZINC000933756116 669533100 /nfs/dbraw/zinc/53/31/00/669533100.db2.gz NPYXLMOPACLXFR-OCCSQVGLSA-N 0 0 307.398 0.481 10 0 DCAERN CCn1ncc2c1CCC[C@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000934074565 669565470 /nfs/dbraw/zinc/56/54/70/669565470.db2.gz YHGIXJZDGAVHAR-GXSJLCMTSA-N 0 0 304.350 0.449 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000132625254 669735077 /nfs/dbraw/zinc/73/50/77/669735077.db2.gz WYJHNCSXAAGAMS-BWODNOAJSA-N 0 0 324.402 0.512 10 0 DCAERN CCn1cc(C(=O)N2CCN(CC)[C@@H](c3nccn3C)C2)nn1 ZINC000935520413 669735235 /nfs/dbraw/zinc/73/52/35/669735235.db2.gz IMJWNWARXIYERR-CYBMUJFWSA-N 0 0 317.397 0.551 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000155399920 669832343 /nfs/dbraw/zinc/83/23/43/669832343.db2.gz ARYAIMGMWIAKPD-WIFINTHYSA-N 0 0 317.455 0.877 10 0 DCAERN C[C@@H](OC(=O)Cn1ncn(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000157790214 669923127 /nfs/dbraw/zinc/92/31/27/669923127.db2.gz UYMASDXHZSUZMK-SECBINFHSA-N 0 0 306.278 0.794 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188355681 670004292 /nfs/dbraw/zinc/00/42/92/670004292.db2.gz BXGDGUFAGREODH-WDEREUQCSA-N 0 0 304.394 0.943 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)CCN1CCO ZINC000188757384 670044085 /nfs/dbraw/zinc/04/40/85/670044085.db2.gz ALUGEFPYAFEPGE-GFCCVEGCSA-N 0 0 316.357 0.932 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1ccc(-c2ccccc2)n1C ZINC000188978613 670071173 /nfs/dbraw/zinc/07/11/73/670071173.db2.gz MQCSMIYRGUGAQQ-UHFFFAOYSA-N 0 0 321.402 0.971 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccccc1 ZINC000189608579 670133230 /nfs/dbraw/zinc/13/32/30/670133230.db2.gz GKSRKJLPPZGLKU-QGZVFWFLSA-N 0 0 324.340 0.956 10 0 DCAERN Cn1cc(CN[C@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000712400188 670149156 /nfs/dbraw/zinc/14/91/56/670149156.db2.gz DLIFDABJJPSXLO-VIFPVBQESA-N 0 0 322.228 0.849 10 0 DCAERN Cn1cc(CNCC(=O)NCC(F)F)c(Br)n1 ZINC000712497075 670149683 /nfs/dbraw/zinc/14/96/83/670149683.db2.gz UCJKFYOVZCRGCC-UHFFFAOYSA-N 0 0 311.130 0.654 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000713250266 670154866 /nfs/dbraw/zinc/15/48/66/670154866.db2.gz HAVUJVIONCCNRX-UBHSHLNASA-N 0 0 306.362 0.865 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)CN2CCOCC2)n1 ZINC000192426212 670163673 /nfs/dbraw/zinc/16/36/73/670163673.db2.gz GCJCHGKNZORHDV-SNVBAGLBSA-N 0 0 312.326 0.689 10 0 DCAERN CCn1cc([C@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)cn1 ZINC000189847294 670166574 /nfs/dbraw/zinc/16/65/74/670166574.db2.gz QEVLDMLKNZZEON-GFCCVEGCSA-N 0 0 307.354 0.128 10 0 DCAERN Cn1cc(CN2CC[C@@H](CC(N)=O)C2)c(Br)n1 ZINC000713837895 670170148 /nfs/dbraw/zinc/17/01/48/670170148.db2.gz AWEQFTAKOGKTPG-QMMMGPOBSA-N 0 0 301.188 0.880 10 0 DCAERN CN(C)S(=O)(=O)N(C)Cc1cn(C)nc1Br ZINC000713844180 670170518 /nfs/dbraw/zinc/17/05/18/670170518.db2.gz KETXRUIDTZVPMY-UHFFFAOYSA-N 0 0 311.205 0.421 10 0 DCAERN Cn1cc(CN2CCCS(=O)(=O)CC2)c(Br)n1 ZINC000713873948 670170978 /nfs/dbraw/zinc/17/09/78/670170978.db2.gz XUWUBYWTXRILHA-UHFFFAOYSA-N 0 0 322.228 0.803 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000714257348 670182655 /nfs/dbraw/zinc/18/26/55/670182655.db2.gz IEYRMNAMSDXTFI-UHFFFAOYSA-N 0 0 311.354 0.078 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCC2(CC2)C1 ZINC000714308016 670184231 /nfs/dbraw/zinc/18/42/31/670184231.db2.gz CCBJPWWYMUEBFE-LLVKDONJSA-N 0 0 301.412 0.223 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cscc2Br)C1 ZINC000714507101 670190439 /nfs/dbraw/zinc/19/04/39/670190439.db2.gz LEJUZGPNNZELPP-UHFFFAOYSA-N 0 0 320.164 0.871 10 0 DCAERN Cn1cc(C(=O)NCc2ncc(Br)s2)nn1 ZINC000714646810 670192559 /nfs/dbraw/zinc/19/25/59/670192559.db2.gz NKZWEQHDSHYFPZ-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN O=S(=O)(N[C@H]1CCCC12OCCO2)c1cccnc1F ZINC000716026620 670227702 /nfs/dbraw/zinc/22/77/02/670227702.db2.gz MBPWFXJKYMTUQC-JTQLQIEISA-N 0 0 302.327 0.795 10 0 DCAERN CCN1C[C@H](C(=O)NC[C@H](O)c2ccccc2OC)CC1=O ZINC000193218242 670253410 /nfs/dbraw/zinc/25/34/10/670253410.db2.gz HWQMEOAGOLVZFQ-YPMHNXCESA-N 0 0 306.362 0.713 10 0 DCAERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C(F)F)C1 ZINC000193584690 670305690 /nfs/dbraw/zinc/30/56/90/670305690.db2.gz SAMPOFROYTVDOR-MRVPVSSYSA-N 0 0 302.237 0.559 10 0 DCAERN C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CC1 ZINC000193670839 670326386 /nfs/dbraw/zinc/32/63/86/670326386.db2.gz MMOROTNKNZMBHB-QMMMGPOBSA-N 0 0 303.318 0.588 10 0 DCAERN C[C@@H](NC(=O)NCCCN1CCCC1=O)c1nnnn1C1CC1 ZINC000190242264 670400159 /nfs/dbraw/zinc/40/01/59/670400159.db2.gz CBYQVUJZAFJAPF-SNVBAGLBSA-N 0 0 321.385 0.381 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000194203976 670412530 /nfs/dbraw/zinc/41/25/30/670412530.db2.gz SUMGLXRFLYLKPZ-BDAKNGLRSA-N 0 0 308.350 0.790 10 0 DCAERN Cc1ncc(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)s1 ZINC000194267890 670419797 /nfs/dbraw/zinc/41/97/97/670419797.db2.gz IRIFOPROSJQFDC-SNAWJCMRSA-N 0 0 321.358 0.606 10 0 DCAERN O=C(c1ccn(CC(F)F)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000194503074 670435164 /nfs/dbraw/zinc/43/51/64/670435164.db2.gz IRFAVRULHBXKLC-ZDUSSCGKSA-N 0 0 301.293 0.780 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC000194588477 670442623 /nfs/dbraw/zinc/44/26/23/670442623.db2.gz GTXYFZXSIXILRX-ZDUSSCGKSA-N 0 0 302.330 0.857 10 0 DCAERN COC(=O)Cn1cc(CCOC(=O)c2ccn(C)c2C)nn1 ZINC000194860523 670459431 /nfs/dbraw/zinc/45/94/31/670459431.db2.gz CMDYKWSTQOMLGI-UHFFFAOYSA-N 0 0 306.322 0.498 10 0 DCAERN CCN1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1=O ZINC000190599368 670465199 /nfs/dbraw/zinc/46/51/99/670465199.db2.gz CMPAPCXMLJTCLX-UHFFFAOYSA-N 0 0 303.297 0.668 10 0 DCAERN CN1C[C@@H](CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1=O ZINC000082358228 670476373 /nfs/dbraw/zinc/47/63/73/670476373.db2.gz MHOSQJVQTAQKEF-RKDXNWHRSA-N 0 0 321.299 0.134 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000190705934 670482349 /nfs/dbraw/zinc/48/23/49/670482349.db2.gz WLGLJCYWHJJPID-SNVBAGLBSA-N 0 0 320.324 0.810 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(CN3CCCC3=O)CC2)n1 ZINC000113245591 670698505 /nfs/dbraw/zinc/69/85/05/670698505.db2.gz JSCCFVJSOQIZRT-GFCCVEGCSA-N 0 0 307.398 0.891 10 0 DCAERN CCOc1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1C ZINC000113496425 670735877 /nfs/dbraw/zinc/73/58/77/670735877.db2.gz OQIFWROXLUEZHS-UHFFFAOYSA-N 0 0 303.322 0.930 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C)on2)cn1 ZINC000818602574 671034928 /nfs/dbraw/zinc/03/49/28/671034928.db2.gz NMKCMJAODUQEJE-QWHCGFSZSA-N 0 0 306.322 0.776 10 0 DCAERN CN(CC(=O)NC(C)(C)C)Cn1nnc2ccccc2c1=O ZINC000008148037 671066324 /nfs/dbraw/zinc/06/63/24/671066324.db2.gz LUYPHRCGQSZDEP-UHFFFAOYSA-N 0 0 303.366 0.596 10 0 DCAERN CCn1c(C)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S ZINC000116869481 671132222 /nfs/dbraw/zinc/13/22/22/671132222.db2.gz NUZIKJUIUJLNHZ-JTQLQIEISA-N 0 0 319.456 0.323 10 0 DCAERN Cn1ncc(CNc2c(Br)cncc2[N+](=O)[O-])n1 ZINC000389907144 685258167 /nfs/dbraw/zinc/25/81/67/685258167.db2.gz HIEWSGUHWVEIOU-UHFFFAOYSA-N 0 0 313.115 0.915 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NCc1cn(C)nn1 ZINC000389905796 685258374 /nfs/dbraw/zinc/25/83/74/685258374.db2.gz GXNMCDAISDVHFF-UHFFFAOYSA-N 0 0 301.759 0.650 10 0 DCAERN CC(=O)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000390894753 685261400 /nfs/dbraw/zinc/26/14/00/685261400.db2.gz QSEQMDGEPJYGAC-UHFFFAOYSA-N 0 0 321.264 0.845 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)c1Cl ZINC000396728476 685271004 /nfs/dbraw/zinc/27/10/04/685271004.db2.gz BVVXGNZSTYUPKW-ZETCQYMHSA-N 0 0 306.775 0.021 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C2CSC2)[C@H](O)C1 ZINC000718450081 685305424 /nfs/dbraw/zinc/30/54/24/685305424.db2.gz VCIIYZUIHFOPEH-MWLCHTKSSA-N 0 0 316.423 0.693 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)c1 ZINC000719048717 685307819 /nfs/dbraw/zinc/30/78/19/685307819.db2.gz HRJKCWWZVSPVSV-JTQLQIEISA-N 0 0 301.368 0.287 10 0 DCAERN CO[C@@]1(C(=O)NCc2cc(Br)no2)CCOC1 ZINC000719347093 685309545 /nfs/dbraw/zinc/30/95/45/685309545.db2.gz FTRYHBNPVMEQPI-JTQLQIEISA-N 0 0 305.128 0.859 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccnc(F)c2)CCS(=O)(=O)C1 ZINC000720848246 685316462 /nfs/dbraw/zinc/31/64/62/685316462.db2.gz SVIXXVXKYQIAIL-GFCCVEGCSA-N 0 0 302.327 0.154 10 0 DCAERN C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CCCO1 ZINC000720540364 685313721 /nfs/dbraw/zinc/31/37/21/685313721.db2.gz IZRUKXBXIYKKHI-PSASIEDQSA-N 0 0 318.420 0.827 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000089371887 685094272 /nfs/dbraw/zinc/09/42/72/685094272.db2.gz SMRJEOUANVBRJN-GFCCVEGCSA-N 0 0 318.439 0.527 10 0 DCAERN CCn1cc(Br)cc1C(=O)NCCNC(N)=O ZINC000096726669 685112530 /nfs/dbraw/zinc/11/25/30/685112530.db2.gz REIMEZNSMLYATA-UHFFFAOYSA-N 0 0 303.160 0.669 10 0 DCAERN Cc1cc(C)cc([C@@H](O)CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000097987026 685113891 /nfs/dbraw/zinc/11/38/91/685113891.db2.gz BHXPXPJQLUUBDM-HNNXBMFYSA-N 0 0 312.435 0.914 10 0 DCAERN CC(C)(C)OC(=O)NCCSC[C@@]1(C)NC(=O)NC1=O ZINC000135776633 685122260 /nfs/dbraw/zinc/12/22/60/685122260.db2.gz TXNRUHRFKDFSCO-GFCCVEGCSA-N 0 0 303.384 0.842 10 0 DCAERN Cc1cnn(C[C@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)c1 ZINC000247083583 685169514 /nfs/dbraw/zinc/16/95/14/685169514.db2.gz HDKOSZBBHIJDRS-LSDHHAIUSA-N 0 0 322.409 0.140 10 0 DCAERN Cn1ncc2c1nnn(CN1CC[C@]3(O)CCCC[C@H]3C1)c2=O ZINC000247149910 685170762 /nfs/dbraw/zinc/17/07/62/685170762.db2.gz SUYXYLHZAVPBRY-XHDPSFHLSA-N 0 0 318.381 0.110 10 0 DCAERN COc1cccc([C@H](O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000252734880 685186772 /nfs/dbraw/zinc/18/67/72/685186772.db2.gz FDKMOWAUDBHJQG-DYEKYZERSA-N 0 0 306.362 0.889 10 0 DCAERN CSCCC(=O)N1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC000211914689 1157561448 /nfs/dbraw/zinc/56/14/48/1157561448.db2.gz SCHMFIQKERRVSH-AAEUAGOBSA-N 0 0 323.418 0.526 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@@H](O)CO ZINC000302580451 1158035822 /nfs/dbraw/zinc/03/58/22/1158035822.db2.gz COWGDHKBDBSNFS-MRVPVSSYSA-N 0 0 304.140 0.541 10 0 DCAERN COC[C@H](O)CNC(=O)c1cc(F)c(Br)cc1N ZINC000385388566 1158222574 /nfs/dbraw/zinc/22/25/74/1158222574.db2.gz YVPPECGOMWBXIO-ZCFIWIBFSA-N 0 0 321.146 0.908 10 0 DCAERN CCOc1n[nH]c(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n1 ZINC000228771582 1180399603 /nfs/dbraw/zinc/39/96/03/1180399603.db2.gz WSKYBZPEFPIWDS-ZETCQYMHSA-N 0 0 320.396 0.062 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000159501372 1180567530 /nfs/dbraw/zinc/56/75/30/1180567530.db2.gz LLKYCWFYWHEKOW-CQSZACIVSA-N 0 0 303.362 0.496 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000163213023 1182521754 /nfs/dbraw/zinc/52/17/54/1182521754.db2.gz CFOWYIVSCMRWNH-GFCCVEGCSA-N 0 0 318.439 0.574 10 0 DCAERN Cc1noc([C@H](NC(=O)N2C[C@H](CO)O[C@@H](C)C2)C(C)C)n1 ZINC000248694585 1183432352 /nfs/dbraw/zinc/43/23/52/1183432352.db2.gz KLOHXIZANJQYGJ-MVWJERBFSA-N 0 0 312.370 0.866 10 0 DCAERN CC(=O)N1CCC(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000170895992 1183694855 /nfs/dbraw/zinc/69/48/55/1183694855.db2.gz ILMGDJFYGLCQJN-LLVKDONJSA-N 0 0 321.377 0.773 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)N3CCC3)c2)NC(=O)NC1=O ZINC000171234289 1183715734 /nfs/dbraw/zinc/71/57/34/1183715734.db2.gz BUMUJIQCDHUHJS-OAHLLOKOSA-N 0 0 302.334 0.657 10 0 DCAERN Cc1noc([C@@H](NC(=O)Cc2nc3ncccn3n2)C(C)C)n1 ZINC000171813760 1183778086 /nfs/dbraw/zinc/77/80/86/1183778086.db2.gz ROFCTEOIZRNOSB-LBPRGKRZSA-N 0 0 315.337 0.872 10 0 DCAERN Cc1noc([C@H](NC(=O)NCCNC(=O)C2CC2)C(C)C)n1 ZINC000171915773 1183792497 /nfs/dbraw/zinc/79/24/97/1183792497.db2.gz CITRDQABSZTDJL-LLVKDONJSA-N 0 0 309.370 0.901 10 0 DCAERN Cc1cc(CN2CCN(C(=O)CCc3nnc[nH]3)CC2)no1 ZINC000177103273 1184226609 /nfs/dbraw/zinc/22/66/09/1184226609.db2.gz RZMHLNCQHYUYGR-UHFFFAOYSA-N 0 0 304.354 0.378 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000183530419 1185194458 /nfs/dbraw/zinc/19/44/58/1185194458.db2.gz IQWLCYZZIRKCOP-GFCCVEGCSA-N 0 0 321.421 0.557 10 0 DCAERN C[C@@H]1CC[C@@](CO)(N(C)Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000187918829 1187581841 /nfs/dbraw/zinc/58/18/41/1187581841.db2.gz CUXFHKCILCVHDH-ZWNOBZJWSA-N 0 0 317.411 0.597 10 0 DCAERN CC(=O)N1CC(C(=O)NCc2ccnc(OCC3CC3)c2)C1 ZINC000188428990 1187665037 /nfs/dbraw/zinc/66/50/37/1187665037.db2.gz FMUSWCYDCXSAHX-UHFFFAOYSA-N 0 0 303.362 0.965 10 0 DCAERN CN(CCNS(=O)(=O)c1cnc(N)nc1)Cc1ccccc1 ZINC000386670301 1190699663 /nfs/dbraw/zinc/69/96/63/1190699663.db2.gz GEQMSZZVADRTQW-UHFFFAOYSA-N 0 0 321.406 0.299 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@@H](CO)C1 ZINC000588560167 747443343 /nfs/dbraw/zinc/44/33/43/747443343.db2.gz JQUZALSFGNQGHZ-YRGRVCCFSA-N 0 0 322.409 0.296 10 0 DCAERN CC[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)C(N)=O ZINC000586273142 768110750 /nfs/dbraw/zinc/11/07/50/768110750.db2.gz QMGRSQMERUWKNO-SNVBAGLBSA-N 0 0 309.713 0.736 10 0 DCAERN COCCN(CCC(=O)OC)C(=O)c1ccc(Cl)nn1 ZINC000133039611 769735190 /nfs/dbraw/zinc/73/51/90/769735190.db2.gz SQHINVJZPZLPME-UHFFFAOYSA-N 0 0 301.730 0.782 10 0 DCAERN CC(C)S(=O)(=O)CCNS(=O)(=O)c1cccnc1F ZINC000401824031 774067310 /nfs/dbraw/zinc/06/73/10/774067310.db2.gz LCNOGZOXLHBCOI-UHFFFAOYSA-N 0 0 310.372 0.322 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401838628 774067889 /nfs/dbraw/zinc/06/78/89/774067889.db2.gz PVIYTNOVTQZMKP-QMMMGPOBSA-N 0 0 303.315 0.340 10 0 DCAERN C[S@@](=O)C1(CNS(=O)(=O)c2cccnc2F)CCC1 ZINC000401912173 774071024 /nfs/dbraw/zinc/07/10/24/774071024.db2.gz UMERURAMFOGJAF-GOSISDBHSA-N 0 0 306.384 0.800 10 0 DCAERN C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(F)c(F)cc1N ZINC000711656458 940750073 /nfs/dbraw/zinc/75/00/73/940750073.db2.gz SXNWVQZDTCIJJZ-KBUNVGBDSA-N 0 0 304.318 0.710 10 0 DCAERN NS(=O)(=O)CCCCNC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716081878 946043704 /nfs/dbraw/zinc/04/37/04/946043704.db2.gz KPWFKZIYPSTKMO-FGWVZKOKSA-N 0 0 306.453 0.846 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCCOCCCO)c1 ZINC000352311691 946664424 /nfs/dbraw/zinc/66/44/24/946664424.db2.gz YGAHJWPOHURCKC-UHFFFAOYSA-N 0 0 301.364 0.567 10 0 DCAERN O=C([O-])CS(=O)(=O)CC[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000691873496 954688355 /nfs/dbraw/zinc/68/83/55/954688355.db2.gz FMYQJKODOUMRMY-NSHDSACASA-N 0 0 305.396 0.567 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000696718606 976821895 /nfs/dbraw/zinc/82/18/95/976821895.db2.gz HNIRJVBMKIKROW-LPWJVIDDSA-N 0 0 301.408 0.996 10 0 DCAERN CC(=O)N[C@@H]1c2cc(F)ccc2N(CCN2CCOCC2)C1=O ZINC000095543865 185379340 /nfs/dbraw/zinc/37/93/40/185379340.db2.gz OIBHTPXGRKWQLT-OAHLLOKOSA-N 0 0 321.352 0.682 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000077041872 185075979 /nfs/dbraw/zinc/07/59/79/185075979.db2.gz CKBGLUWODBBKFD-GHMZBOCLSA-N 0 0 306.366 0.907 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@H](C)COC)CCN1CCOC ZINC000246712923 529399799 /nfs/dbraw/zinc/39/97/99/529399799.db2.gz NFOCWNNJPNLGBL-CHWSQXEVSA-N 0 0 308.444 0.394 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)N1CCOCC1 ZINC000079159036 185160669 /nfs/dbraw/zinc/16/06/69/185160669.db2.gz BJEYZFKRFYIOSZ-UHOFOFEASA-N 0 0 319.405 0.665 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)nc(C)n1 ZINC000328633311 231268082 /nfs/dbraw/zinc/26/80/82/231268082.db2.gz SLGPATYWKOZULC-CQSZACIVSA-N 0 0 314.393 0.956 10 0 DCAERN CC[C@@]1(C)C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000177301235 529536313 /nfs/dbraw/zinc/53/63/13/529536313.db2.gz VOOLJPJHOXGHHN-GUYCJALGSA-N 0 0 321.421 0.716 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3CCN(C4CC4)CC3)c2=O)s1 ZINC000092884501 185348014 /nfs/dbraw/zinc/34/80/14/185348014.db2.gz LNKCNWCETVTJEC-UHFFFAOYSA-N 0 0 318.402 0.985 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N(C)[C@H](C)c2cnn(C)c2)c1C ZINC000181380085 199288052 /nfs/dbraw/zinc/28/80/52/199288052.db2.gz BUORYVWKRAQTJE-LLVKDONJSA-N 0 0 303.366 0.964 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)NC[C@]2(CCO)CCOC2)c1 ZINC000181399364 199291273 /nfs/dbraw/zinc/29/12/73/199291273.db2.gz CJHGIYJMAGPSGO-ZDUSSCGKSA-N 0 0 317.411 0.531 10 0 DCAERN CCc1nc(CN2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)no1 ZINC000153381418 529736433 /nfs/dbraw/zinc/73/64/33/529736433.db2.gz NDUZRFWCVBZBOI-NEPJUHHUSA-N 0 0 308.382 0.844 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](CC)C1)CC2 ZINC000172038912 529751315 /nfs/dbraw/zinc/75/13/15/529751315.db2.gz JDTRLTBKSLEVDH-NEPJUHHUSA-N 0 0 307.398 0.976 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccccn2)CC1 ZINC000181526975 199312149 /nfs/dbraw/zinc/31/21/49/199312149.db2.gz KGFJOOWCAMVQDE-OAHLLOKOSA-N 0 0 306.410 0.722 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000097012696 185396891 /nfs/dbraw/zinc/39/68/91/185396891.db2.gz UZOYHFPTWQAEPR-JQWIXIFHSA-N 0 0 303.384 0.158 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2 ZINC000181596651 199324764 /nfs/dbraw/zinc/32/47/64/199324764.db2.gz JPKCGVRHSIBXFT-GHMZBOCLSA-N 0 0 320.397 0.246 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCC1(CO)CCOCC1 ZINC000157571935 529814106 /nfs/dbraw/zinc/81/41/06/529814106.db2.gz RPCMQJOLXXDAML-UHFFFAOYSA-N 0 0 322.409 0.736 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000179104065 282297319 /nfs/dbraw/zinc/29/73/19/282297319.db2.gz JPXQEKFMNPNDFP-LBPRGKRZSA-N 0 0 314.345 0.787 10 0 DCAERN O=C(CNC(=O)c1cnn(CCC(F)(F)F)c1)NC1CC1 ZINC000181650618 199333285 /nfs/dbraw/zinc/33/32/85/199333285.db2.gz QYILMUXEQJZUIA-UHFFFAOYSA-N 0 0 304.272 0.844 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(CCc2ccccc2F)CCO1 ZINC000275854523 529852175 /nfs/dbraw/zinc/85/21/75/529852175.db2.gz XDYFCEVWGQMZAO-CQSZACIVSA-N 0 0 309.385 0.486 10 0 DCAERN CNC(=O)Cc1nc(CN2CCNC(=O)[C@H]2CC(C)C)cs1 ZINC000189786729 529874538 /nfs/dbraw/zinc/87/45/38/529874538.db2.gz FVSQUEDFFRWYDJ-GFCCVEGCSA-N 0 0 324.450 0.778 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(C)C ZINC000179758431 529897833 /nfs/dbraw/zinc/89/78/33/529897833.db2.gz QYLAGYZSSRGKMO-RISCZKNCSA-N 0 0 308.378 0.833 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000178841882 529898262 /nfs/dbraw/zinc/89/82/62/529898262.db2.gz DEOAAGSQWIYESY-LBPRGKRZSA-N 0 0 302.338 0.163 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C)C(C)C ZINC000179079843 529918905 /nfs/dbraw/zinc/91/89/05/529918905.db2.gz KPGMARCJLCOUGH-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)CC(=O)N1C ZINC000282577279 290713091 /nfs/dbraw/zinc/71/30/91/290713091.db2.gz GQHMGTGUPTZFMM-JTQLQIEISA-N 0 0 308.386 0.405 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000181690098 199338931 /nfs/dbraw/zinc/33/89/31/199338931.db2.gz WUMCVOGTAFSHKM-WCBMZHEXSA-N 0 0 308.304 0.980 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)c(N)c1 ZINC000042559975 190671503 /nfs/dbraw/zinc/67/15/03/190671503.db2.gz IDKPRHWNGKXXDL-ZCFIWIBFSA-N 0 0 300.156 0.896 10 0 DCAERN CCC1(CC)CN(C[C@H]2CCS(=O)(=O)C2)CCS1(=O)=O ZINC000408400074 282374552 /nfs/dbraw/zinc/37/45/52/282374552.db2.gz OEQWMWGWUDSTDR-GFCCVEGCSA-N 0 0 323.480 0.710 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000188168971 290752413 /nfs/dbraw/zinc/75/24/13/290752413.db2.gz DSPRJCMSDNQICY-LLVKDONJSA-N 0 0 315.399 0.196 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cnn(C)c1 ZINC000109106539 185551629 /nfs/dbraw/zinc/55/16/29/185551629.db2.gz AEEFOOFWDAVQSF-HNNXBMFYSA-N 0 0 314.389 0.778 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCC1=O ZINC000294472210 290775850 /nfs/dbraw/zinc/77/58/50/290775850.db2.gz IXAZASBWPKCFOD-VIFPVBQESA-N 0 0 315.329 0.420 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NCCn1cncn1 ZINC000286840497 219191020 /nfs/dbraw/zinc/19/10/20/219191020.db2.gz KIJLYRKNHIMYTJ-UHFFFAOYSA-N 0 0 301.759 0.613 10 0 DCAERN O=C1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1 ZINC000286956619 219243626 /nfs/dbraw/zinc/24/36/26/219243626.db2.gz RCMDBBOUCROWHC-UHFFFAOYSA-N 0 0 307.734 0.385 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@@H](C2CC2)O1 ZINC000279910419 215229918 /nfs/dbraw/zinc/22/99/18/215229918.db2.gz IHBFEIKTIBAVPX-ONGXEEELSA-N 0 0 316.365 0.434 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)N1CCCCC1 ZINC000083701130 192379057 /nfs/dbraw/zinc/37/90/57/192379057.db2.gz QVRPORYCUCTEMB-GFCCVEGCSA-N 0 0 320.397 0.733 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCSC3)C2)cn1 ZINC000287077539 219300086 /nfs/dbraw/zinc/30/00/86/219300086.db2.gz UTZSMTFOYILNFM-CMPLNLGQSA-N 0 0 308.407 0.358 10 0 DCAERN CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)C(=O)OC ZINC000084275559 192420060 /nfs/dbraw/zinc/42/00/60/192420060.db2.gz ALGXBUYMULBHCB-GFCCVEGCSA-N 0 0 315.329 0.914 10 0 DCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000287155198 219348640 /nfs/dbraw/zinc/34/86/40/219348640.db2.gz RIQKVZQUYRLCGD-MEBBXXQBSA-N 0 0 307.350 0.535 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000171487034 186167303 /nfs/dbraw/zinc/16/73/03/186167303.db2.gz FPUKWJIHMAVRLZ-UWVGGRQHSA-N 0 0 309.391 0.603 10 0 DCAERN C[C@H]1CN(C(=O)NCCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000175653209 186185224 /nfs/dbraw/zinc/18/52/24/186185224.db2.gz UGVMNZTYNZZRMU-HOCLYGCPSA-N 0 0 318.421 0.986 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000177910773 186202541 /nfs/dbraw/zinc/20/25/41/186202541.db2.gz XYUOTVHJYNBXLI-CQSZACIVSA-N 0 0 323.368 0.679 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1COCCN1CC(F)(F)F ZINC000332894833 295813864 /nfs/dbraw/zinc/81/38/64/295813864.db2.gz UDQHYVCQMAWRGP-USZNOCQGSA-N 0 0 322.327 0.933 10 0 DCAERN Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cncnc1 ZINC000072321577 191121270 /nfs/dbraw/zinc/12/12/70/191121270.db2.gz DTPUHSMFGUOISO-KLHDSHLOSA-N 0 0 313.357 0.793 10 0 DCAERN CNC(=O)c1ccc(N[C@H]2CCc3nc(C(C)C)nn3C2)nn1 ZINC000301414663 186732133 /nfs/dbraw/zinc/73/21/33/186732133.db2.gz BAQOQCZJKDBXRS-JTQLQIEISA-N 0 0 315.381 0.978 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000172257865 198066724 /nfs/dbraw/zinc/06/67/24/198066724.db2.gz XMTXGDNFFYOQMF-JTQLQIEISA-N 0 0 317.798 0.943 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC(NC(=O)C3CC3)CC2)c1 ZINC000172291714 198071877 /nfs/dbraw/zinc/07/18/77/198071877.db2.gz BYZFAHXCSPHTIE-UHFFFAOYSA-N 0 0 319.409 0.892 10 0 DCAERN FC(F)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000172598858 198120742 /nfs/dbraw/zinc/12/07/42/198120742.db2.gz LSZLBOPMTAXLLR-UHFFFAOYSA-N 0 0 313.352 0.700 10 0 DCAERN C[C@@H]1CSCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000172614649 198124269 /nfs/dbraw/zinc/12/42/69/198124269.db2.gz UXAVYPLGKRQJMH-SECBINFHSA-N 0 0 300.405 0.912 10 0 DCAERN CSc1nc2nc(C)c3c(ccn(CCCO)c3=O)n2n1 ZINC000072449549 191169823 /nfs/dbraw/zinc/16/98/23/191169823.db2.gz URNRTCRAOZGOOY-UHFFFAOYSA-N 0 0 305.363 0.852 10 0 DCAERN COCCOC[C@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000173201310 198194859 /nfs/dbraw/zinc/19/48/59/198194859.db2.gz VWINUUJNKXSSGS-AWEZNQCLSA-N 0 0 310.398 0.886 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)no1 ZINC000173547198 198225524 /nfs/dbraw/zinc/22/55/24/198225524.db2.gz PKHBCYLDTYBTPZ-LBPRGKRZSA-N 0 0 315.333 0.983 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CCc3cnn(C)c3)CCO2)[nH]1 ZINC000173557383 198227441 /nfs/dbraw/zinc/22/74/41/198227441.db2.gz XIAJIUPUUXDVBH-GFCCVEGCSA-N 0 0 318.381 0.633 10 0 DCAERN Cc1nc(CNC(=O)CN2CCN(c3ccccn3)CC2)no1 ZINC000173625573 198233278 /nfs/dbraw/zinc/23/32/78/198233278.db2.gz IHRCRFZVEYEFNV-UHFFFAOYSA-N 0 0 316.365 0.211 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)c2cnn(C)c2)C1 ZINC000174756660 198380024 /nfs/dbraw/zinc/38/00/24/198380024.db2.gz CMPLPQKCFBTFPY-OAHLLOKOSA-N 0 0 323.441 0.329 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC3CC3)C2=O)n(C)n1 ZINC000174762002 198380738 /nfs/dbraw/zinc/38/07/38/198380738.db2.gz XAGKBUQNGRBOQH-GFCCVEGCSA-N 0 0 305.382 0.933 10 0 DCAERN COCCNC(=O)COC(=O)c1cncc(Br)c1 ZINC000003488640 181025759 /nfs/dbraw/zinc/02/57/59/181025759.db2.gz BKVQETMGRUGGPV-UHFFFAOYSA-N 0 0 317.139 0.764 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCCC[C@@H]1CO ZINC000175941410 198528725 /nfs/dbraw/zinc/52/87/25/198528725.db2.gz HQSDOCBFKNHCHO-ZIAGYGMSSA-N 0 0 320.393 0.662 10 0 DCAERN OC[C@@H]1O[C@H](Oc2cccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O ZINC000004021773 181063237 /nfs/dbraw/zinc/06/32/37/181063237.db2.gz CVAOQMBKGUKOIZ-GCSSGZNBSA-N 0 0 306.314 0.019 10 0 DCAERN CCc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)s1 ZINC000074802543 191362544 /nfs/dbraw/zinc/36/25/44/191362544.db2.gz QWWVEVXQFKIODW-UHFFFAOYSA-N 0 0 317.392 0.141 10 0 DCAERN CN(CC(=O)N[C@H]1CCO[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000080984274 192208676 /nfs/dbraw/zinc/20/86/76/192208676.db2.gz WLXZCFQUPYZXCG-GXTWGEPZSA-N 0 0 312.391 0.524 10 0 DCAERN COC(=O)[C@@](C)(O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081536745 192284518 /nfs/dbraw/zinc/28/45/18/192284518.db2.gz RPRFYDMAQQMEIZ-JTQLQIEISA-N 0 0 308.260 0.037 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCCCC1=O ZINC000081585668 192297904 /nfs/dbraw/zinc/29/79/04/192297904.db2.gz AIEGMEHEQIAQOS-LBPRGKRZSA-N 0 0 305.382 0.940 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000408145986 283194774 /nfs/dbraw/zinc/19/47/74/283194774.db2.gz WPQXTEMUOBCVET-GFCCVEGCSA-N 0 0 324.468 0.520 10 0 DCAERN COCC(=O)N[C@H](C(=O)NCCCc1ccccn1)C(C)C ZINC000178600541 198894695 /nfs/dbraw/zinc/89/46/95/198894695.db2.gz YFJUPMUALJOVTC-HNNXBMFYSA-N 0 0 307.394 0.918 10 0 DCAERN CCN(CC(C)(C)O)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179242563 199004068 /nfs/dbraw/zinc/00/40/68/199004068.db2.gz OSNZRFYJBXSNQZ-UHFFFAOYSA-N 0 0 300.380 0.567 10 0 DCAERN Cn1cnn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1=O ZINC000179403525 199029400 /nfs/dbraw/zinc/02/94/00/199029400.db2.gz LPYLJTHWPDAIJL-UHFFFAOYSA-N 0 0 311.345 0.648 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000179453591 199038354 /nfs/dbraw/zinc/03/83/54/199038354.db2.gz IOPLIVAGLIDKIQ-OLZOCXBDSA-N 0 0 312.391 0.508 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000179405987 199030222 /nfs/dbraw/zinc/03/02/22/199030222.db2.gz WDRAFQAWWACNHK-KGLIPLIRSA-N 0 0 307.394 0.764 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000179625487 199066868 /nfs/dbraw/zinc/06/68/68/199066868.db2.gz QDYUMHKDNOSRTD-GFCCVEGCSA-N 0 0 303.362 0.694 10 0 DCAERN CCn1c(C)nnc1CN[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000180055554 199112754 /nfs/dbraw/zinc/11/27/54/199112754.db2.gz ZMDNYMKQCPEOHQ-CQSZACIVSA-N 0 0 309.414 0.579 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CCO1 ZINC000180397464 199153866 /nfs/dbraw/zinc/15/38/66/199153866.db2.gz JHZBGTBXOLUGFV-SNVBAGLBSA-N 0 0 315.333 0.658 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180615983 199185545 /nfs/dbraw/zinc/18/55/45/199185545.db2.gz ZRJRLDURXYQTGK-AWEZNQCLSA-N 0 0 305.378 0.751 10 0 DCAERN CCCN1c2ccccc2[C@]2(NC(=O)[C@@H]3COCCN32)C1=O ZINC000180265957 283356680 /nfs/dbraw/zinc/35/66/80/283356680.db2.gz MYINPAPSGGEJAO-XJKSGUPXSA-N 0 0 301.346 0.427 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000130509703 283432324 /nfs/dbraw/zinc/43/23/24/283432324.db2.gz NMYGRIYGMIMWRE-JHJVBQTASA-N 0 0 318.439 0.874 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000153088991 237014122 /nfs/dbraw/zinc/01/41/22/237014122.db2.gz BWYALPIERZWCIQ-NXEZZACHSA-N 0 0 316.379 0.779 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000156393777 237051693 /nfs/dbraw/zinc/05/16/93/237051693.db2.gz BSVJLAGUXDQHIF-VXGBXAGGSA-N 0 0 310.398 0.342 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CCS1(=O)=O ZINC000159180800 237072227 /nfs/dbraw/zinc/07/22/27/237072227.db2.gz AZISDXXWFYVBCE-JTQLQIEISA-N 0 0 321.395 0.774 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000163684633 237115362 /nfs/dbraw/zinc/11/53/62/237115362.db2.gz OFZTUDIDAXHMJJ-SCZZXKLOSA-N 0 0 322.365 0.596 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1cscn1 ZINC000173065605 237151059 /nfs/dbraw/zinc/15/10/59/237151059.db2.gz JFCJMWSPGNVAQG-ZJUUUORDSA-N 0 0 305.425 0.929 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)c1 ZINC000173168945 237154092 /nfs/dbraw/zinc/15/40/92/237154092.db2.gz OSIRNIXECOERGY-NWDGAFQWSA-N 0 0 302.400 0.135 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000167684277 237125078 /nfs/dbraw/zinc/12/50/78/237125078.db2.gz APSNEKABSXESOM-STQMWFEESA-N 0 0 313.423 0.876 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000175320276 237184470 /nfs/dbraw/zinc/18/44/70/237184470.db2.gz CIYITOPSHAIVIU-LLVKDONJSA-N 0 0 324.468 0.378 10 0 DCAERN C[C@@H](N(C)C(=O)Cn1cnc2c(cnn2C)c1=O)C1(C)CC1 ZINC000175601408 237190181 /nfs/dbraw/zinc/19/01/81/237190181.db2.gz KTVNIJZBPBHYGX-SNVBAGLBSA-N 0 0 303.366 0.777 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000174314438 237170325 /nfs/dbraw/zinc/17/03/25/237170325.db2.gz SLUAXPUZBAOLKD-UHFFFAOYSA-N 0 0 309.410 0.716 10 0 DCAERN NC(=O)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000174926118 237177927 /nfs/dbraw/zinc/17/79/27/237177927.db2.gz DYJHSJYMHKWBQH-KGLIPLIRSA-N 0 0 324.425 0.289 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(CC(C)(C)O)CC2)nc1C ZINC000184021087 237286330 /nfs/dbraw/zinc/28/63/30/237286330.db2.gz FTNJUJNNBTWTRN-UHFFFAOYSA-N 0 0 306.410 0.931 10 0 DCAERN Cc1nc(C)c(C(=O)N(C)CC(=O)N2CCOCC2)nc1C ZINC000184676889 237290563 /nfs/dbraw/zinc/29/05/63/237290563.db2.gz XRCMPAAKUSQQCE-UHFFFAOYSA-N 0 0 306.366 0.333 10 0 DCAERN COc1cc(C)cc(C(=O)N2CCN(CCO)[C@H](C)C2)c1O ZINC000187281597 200088398 /nfs/dbraw/zinc/08/83/98/200088398.db2.gz RPOQIJRKWRSXGC-GFCCVEGCSA-N 0 0 308.378 0.848 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000185252286 237295893 /nfs/dbraw/zinc/29/58/93/237295893.db2.gz OQFNDTICWFDRGY-JTQLQIEISA-N 0 0 308.367 0.803 10 0 DCAERN CCc1noc([C@H](C)N2CCN(C(=O)C3(O)CCC3)CC2)n1 ZINC000185964860 237307152 /nfs/dbraw/zinc/30/71/52/237307152.db2.gz BPGVUJAINHUZRJ-NSHDSACASA-N 0 0 308.382 0.752 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)NCc1ccc(CO)c(F)c1 ZINC000186708913 237320658 /nfs/dbraw/zinc/32/06/58/237320658.db2.gz VVVXTFNYXDKGNU-SNVBAGLBSA-N 0 0 309.341 0.690 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000187396156 200106737 /nfs/dbraw/zinc/10/67/37/200106737.db2.gz HFDPWSLURGKNCM-CQSZACIVSA-N 0 0 322.409 0.831 10 0 DCAERN COCCCN(CCO)C(=O)NCCc1c(C)nn(C)c1C ZINC000186971651 237335440 /nfs/dbraw/zinc/33/54/40/237335440.db2.gz AFQPSTMMFXNQFS-UHFFFAOYSA-N 0 0 312.414 0.620 10 0 DCAERN COCCO[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000188585130 237373933 /nfs/dbraw/zinc/37/39/33/237373933.db2.gz NHCHMKHLNXCJQB-STQMWFEESA-N 0 0 306.428 0.700 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CCO)[C@H](C)C1 ZINC000187700460 237355027 /nfs/dbraw/zinc/35/50/27/237355027.db2.gz PPWNRGPDKJCYRY-QKPAOTATSA-N 0 0 311.470 0.878 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)NCC1(CCO)CC1 ZINC000187917748 237358749 /nfs/dbraw/zinc/35/87/49/237358749.db2.gz IDCCUCZOLYISAY-UHFFFAOYSA-N 0 0 312.316 0.973 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCCNC(=O)[C@@H]3C)cnc12 ZINC000188093146 237364930 /nfs/dbraw/zinc/36/49/30/237364930.db2.gz ZIHBWJKMROLYHN-NSHDSACASA-N 0 0 314.345 0.354 10 0 DCAERN COCCn1ccc(C(=O)NCCc2c(C)nn(C)c2C)n1 ZINC000190698336 237440826 /nfs/dbraw/zinc/44/08/26/237440826.db2.gz WMPDDYBHBRSCKN-UHFFFAOYSA-N 0 0 305.382 0.852 10 0 DCAERN Cc1ccccc1CS(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188729808 200296309 /nfs/dbraw/zinc/29/63/09/200296309.db2.gz FNISXRCSIBDKRX-CQSZACIVSA-N 0 0 312.435 0.823 10 0 DCAERN CCn1ccnc1CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O ZINC000153794455 291208722 /nfs/dbraw/zinc/20/87/22/291208722.db2.gz GXEWYNVZZUINOV-CQSZACIVSA-N 0 0 302.338 0.604 10 0 DCAERN COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000156736220 291225763 /nfs/dbraw/zinc/22/57/63/291225763.db2.gz MIOHFQBEMHVIKP-QWHCGFSZSA-N 0 0 314.430 0.298 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000158862261 291232872 /nfs/dbraw/zinc/23/28/72/291232872.db2.gz MDDKEUKVASRRIN-NSHDSACASA-N 0 0 314.363 0.313 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000158914158 291232980 /nfs/dbraw/zinc/23/29/80/291232980.db2.gz CXOUIXQFORJXQQ-WCQYABFASA-N 0 0 313.361 0.971 10 0 DCAERN CCNC(=O)CN(CC)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162099561 291243378 /nfs/dbraw/zinc/24/33/78/291243378.db2.gz TZZLKIVGAHPUON-LBPRGKRZSA-N 0 0 308.378 0.931 10 0 DCAERN OC[C@H](O)CSc1ncc(I)cn1 ZINC000163986466 291247091 /nfs/dbraw/zinc/24/70/91/291247091.db2.gz FYCMTYRNRWWYLK-LURJTMIESA-N 0 0 312.132 0.527 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)CCc1ccc(F)cc1 ZINC000187873458 283620539 /nfs/dbraw/zinc/62/05/39/283620539.db2.gz CBYYHWHPGBBPKF-UHFFFAOYSA-N 0 0 317.386 0.559 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)c4cc[nH]c4)CC3)n2n1 ZINC000328628662 291259477 /nfs/dbraw/zinc/25/94/77/291259477.db2.gz HLOXTCYGVILAEO-UHFFFAOYSA-N 0 0 311.349 0.723 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCC1=O ZINC000281524944 216360954 /nfs/dbraw/zinc/36/09/54/216360954.db2.gz IPLBIUNRGSJEFP-SECBINFHSA-N 0 0 305.359 0.896 10 0 DCAERN C[C@@H](NC(=O)CN1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662227 296048545 /nfs/dbraw/zinc/04/85/45/296048545.db2.gz NRYAWTVPHWJARA-UONOGXRCSA-N 0 0 311.426 0.614 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000408356737 239266513 /nfs/dbraw/zinc/26/65/13/239266513.db2.gz RWZHEHPNGBIJRO-GMTAPVOTSA-N 0 0 306.370 0.456 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000081992292 299340413 /nfs/dbraw/zinc/34/04/13/299340413.db2.gz ULDWKZSGSZCRKO-CYZMBNFOSA-N 0 0 312.391 0.571 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000408101143 283748121 /nfs/dbraw/zinc/74/81/21/283748121.db2.gz HJAWOGBEFJOXIX-WXRRBKDZSA-N 0 0 308.378 0.799 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N(CCO)C1CCC1 ZINC000566835588 291325140 /nfs/dbraw/zinc/32/51/40/291325140.db2.gz QFLTYQVUGDHOEQ-UHFFFAOYSA-N 0 0 302.334 0.646 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCOC1 ZINC000121792667 296067510 /nfs/dbraw/zinc/06/75/10/296067510.db2.gz AMHFQEQVNRTXLV-MNOVXSKESA-N 0 0 304.412 0.630 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1[C@H]1CCOC1 ZINC000275406222 212313228 /nfs/dbraw/zinc/31/32/28/212313228.db2.gz BCMVOURFGPMBIC-UWVGGRQHSA-N 0 0 304.350 0.407 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1Cl ZINC000091249189 193027422 /nfs/dbraw/zinc/02/74/22/193027422.db2.gz HOPMRPUIPRTTCP-VIFPVBQESA-N 0 0 310.741 0.411 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cc(OCC)ncn2)CC12COC2 ZINC000450567153 240635302 /nfs/dbraw/zinc/63/53/02/240635302.db2.gz LMQSVKWMNJWWBG-NSHDSACASA-N 0 0 307.350 0.891 10 0 DCAERN CCCOc1cccc(CC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091778551 193105960 /nfs/dbraw/zinc/10/59/60/193105960.db2.gz XMUUGNCUJFDHKC-CQSZACIVSA-N 0 0 306.362 0.731 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000091782946 193106910 /nfs/dbraw/zinc/10/69/10/193106910.db2.gz YANFNOOWUKIAIW-NSHDSACASA-N 0 0 302.290 0.063 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N[C@@H]1CCC[C@H]1O ZINC000454120286 240772081 /nfs/dbraw/zinc/77/20/81/240772081.db2.gz PAGGBCRIMQJCKF-DGCLKSJQSA-N 0 0 304.346 0.980 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCN[C@@H](c2ccncc2)C1 ZINC000408357175 296085057 /nfs/dbraw/zinc/08/50/57/296085057.db2.gz IZPLLGQHUVCRTB-CAOSSQGBSA-N 0 0 317.389 0.606 10 0 DCAERN O=C(NCCOc1ccc(F)cc1)NC[C@H](O)Cn1ccnn1 ZINC000457788539 241036214 /nfs/dbraw/zinc/03/62/14/241036214.db2.gz CISWDPKRWAXHGC-LBPRGKRZSA-N 0 0 323.328 0.156 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](C)O2)c1 ZINC000457429975 241004602 /nfs/dbraw/zinc/00/46/02/241004602.db2.gz JRWKVWRPKCUIQU-ZYHUDNBSSA-N 0 0 312.391 0.892 10 0 DCAERN O=C(NCCOc1ccccc1F)NC[C@@H](O)Cn1ccnn1 ZINC000457452447 241008662 /nfs/dbraw/zinc/00/86/62/241008662.db2.gz WGTARZHVZSXKNP-LLVKDONJSA-N 0 0 323.328 0.156 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@]3(C)CCCCO3)CC2)n1 ZINC000457519240 241010032 /nfs/dbraw/zinc/01/00/32/241010032.db2.gz DWOZVEBFQRAGPT-HNNXBMFYSA-N 0 0 308.382 0.981 10 0 DCAERN Cc1cc(CNC(=O)NC[C@H](O)Cn2ccnn2)ccc1F ZINC000457579726 241016189 /nfs/dbraw/zinc/01/61/89/241016189.db2.gz OBWWDJJYBQJQGG-LBPRGKRZSA-N 0 0 307.329 0.586 10 0 DCAERN O=C(CNC(=O)C1CC1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000567815179 291379512 /nfs/dbraw/zinc/37/95/12/291379512.db2.gz XJIOXWGIXNLBPS-OAHLLOKOSA-N 0 0 318.373 0.819 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000408335195 291380594 /nfs/dbraw/zinc/38/05/94/291380594.db2.gz FVCCDSVVLFCTCH-RNJOBUHISA-N 0 0 319.423 0.751 10 0 DCAERN CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)o1 ZINC000275244948 212220908 /nfs/dbraw/zinc/22/09/08/212220908.db2.gz BUEWMXRHXISNSQ-MNOVXSKESA-N 0 0 322.365 0.571 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408221322 296142603 /nfs/dbraw/zinc/14/26/03/296142603.db2.gz GGJDINRHMSZLGS-JTNHKYCSSA-N 0 0 320.455 0.618 10 0 DCAERN O=C(CSC[C@@H](O)CO)Nc1ccc(Br)cn1 ZINC000093959215 193332396 /nfs/dbraw/zinc/33/23/96/193332396.db2.gz RWCGIAVROIZCFB-QMMMGPOBSA-N 0 0 321.196 0.869 10 0 DCAERN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000267707844 296152003 /nfs/dbraw/zinc/15/20/03/296152003.db2.gz IHPOEYLPDLFSIJ-DGCLKSJQSA-N 0 0 321.764 0.880 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408258600 284203764 /nfs/dbraw/zinc/20/37/64/284203764.db2.gz YSJOOMSAUADMJE-SYQHCUMBSA-N 0 0 308.378 0.655 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc2c1OCC(=O)N2 ZINC000112654624 284241455 /nfs/dbraw/zinc/24/14/55/284241455.db2.gz QQGHZEXMQAZMKH-VIFPVBQESA-N 0 0 313.317 0.354 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCCC[C@H]1C ZINC000408007079 291507334 /nfs/dbraw/zinc/50/73/34/291507334.db2.gz FSUVYJNFFDNITE-ZJUUUORDSA-N 0 0 308.425 0.654 10 0 DCAERN CCOC(=O)C(=O)NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000009069929 181600206 /nfs/dbraw/zinc/60/02/06/181600206.db2.gz DXCZLSSYFXBSLL-NSHDSACASA-N 0 0 310.281 0.830 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000126065114 296175881 /nfs/dbraw/zinc/17/58/81/296175881.db2.gz IUQONBNYCWAYOL-OCCSQVGLSA-N 0 0 305.378 0.916 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)cn1 ZINC000266157330 205145380 /nfs/dbraw/zinc/14/53/80/205145380.db2.gz KJEMQDBKVIIYDD-JTQLQIEISA-N 0 0 321.424 0.272 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@@]2(CCOC2)C1 ZINC000188528046 296191560 /nfs/dbraw/zinc/19/15/60/296191560.db2.gz YNKAJMHDKPGCOE-OAHLLOKOSA-N 0 0 300.318 0.571 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN2CCOC[C@@H]2C1 ZINC000371794547 296191575 /nfs/dbraw/zinc/19/15/75/296191575.db2.gz HNORJKAFMNCIGV-ZDUSSCGKSA-N 0 0 317.389 0.823 10 0 DCAERN CC(C)c1nnc(CCC(=O)NC[C@@H](C)N2CCOCC2)o1 ZINC000019714096 182137307 /nfs/dbraw/zinc/13/73/07/182137307.db2.gz JOLZHKAMMKSNAT-GFCCVEGCSA-N 0 0 310.398 0.963 10 0 DCAERN CNC(=O)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000027966832 182499911 /nfs/dbraw/zinc/49/99/11/182499911.db2.gz MQDUHMAXRUWOSC-UHFFFAOYSA-N 0 0 320.802 0.220 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1nnc(C2CCC2)n1C ZINC000249357053 291648762 /nfs/dbraw/zinc/64/87/62/291648762.db2.gz LGVNWUQNRINNRO-YPMHNXCESA-N 0 0 308.382 0.581 10 0 DCAERN Cc1cnccc1CC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000573825402 291657658 /nfs/dbraw/zinc/65/76/58/291657658.db2.gz NTDWUFMCCONGAN-OAHLLOKOSA-N 0 0 302.334 0.085 10 0 DCAERN Cc1c(C)c(S(N)(=O)=O)ccc1OCCS(C)(=O)=O ZINC000038085742 182988308 /nfs/dbraw/zinc/98/83/08/182988308.db2.gz MEHFHBFVEUJFNP-UHFFFAOYSA-N 0 0 307.393 0.374 10 0 DCAERN O=C([O-])CCn1c(=O)c2ccccc2nc1N1CC[NH2+]CC1 ZINC000040351825 183055764 /nfs/dbraw/zinc/05/57/64/183055764.db2.gz UPEVWZVUKHFYML-UHFFFAOYSA-N 0 0 302.334 0.281 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@@](=O)CC[C@H]1C ZINC000408212871 284649214 /nfs/dbraw/zinc/64/92/14/284649214.db2.gz AFSTWGGBNGZLAS-XIKOKIGWSA-N 0 0 310.485 0.501 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(N)=O)CC2)C1 ZINC000102187171 193867376 /nfs/dbraw/zinc/86/73/76/193867376.db2.gz SLMQJPKRQIUONW-CYBMUJFWSA-N 0 0 324.425 0.638 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000104358860 194002586 /nfs/dbraw/zinc/00/25/86/194002586.db2.gz GPKVNLLEVPEPKR-SNVBAGLBSA-N 0 0 318.333 0.999 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780526 194038247 /nfs/dbraw/zinc/03/82/47/194038247.db2.gz UUWXBXFFPFNHEN-CQSZACIVSA-N 0 0 317.393 0.507 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)N1CCNC(=O)CC1 ZINC000105165649 194080498 /nfs/dbraw/zinc/08/04/98/194080498.db2.gz MADPOTUHDUBFMZ-UHFFFAOYSA-N 0 0 318.377 0.177 10 0 DCAERN CC(C)[C@@H](CNC(=O)N1CCN(C2CC2)CC1)N1CCOCC1 ZINC000105103801 194074483 /nfs/dbraw/zinc/07/44/83/194074483.db2.gz DSWHFLXYHYSOED-MRXNPFEDSA-N 0 0 324.469 0.833 10 0 DCAERN C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105181411 194081620 /nfs/dbraw/zinc/08/16/20/194081620.db2.gz BVSRQUTWLCRAPN-DOMZBBRYSA-N 0 0 307.394 0.953 10 0 DCAERN CCc1cccc(NC(=O)CNC(=O)N2CCNC(=O)CC2)c1 ZINC000105212036 194085319 /nfs/dbraw/zinc/08/53/19/194085319.db2.gz HKPXZGFSLYVOBX-UHFFFAOYSA-N 0 0 318.377 0.719 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccncc1Br ZINC000574766197 291714985 /nfs/dbraw/zinc/71/49/85/291714985.db2.gz AJQIGPNTLDXCNZ-UHFFFAOYSA-N 0 0 314.139 0.063 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000183743745 284746331 /nfs/dbraw/zinc/74/63/31/284746331.db2.gz HFBWVFDSRXOCME-SNVBAGLBSA-N 0 0 304.372 0.338 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000105532003 194109939 /nfs/dbraw/zinc/10/99/39/194109939.db2.gz GLGMEGRBMHMCCH-UHFFFAOYSA-N 0 0 306.366 0.702 10 0 DCAERN CCS(=O)(=O)CCN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105867930 194149820 /nfs/dbraw/zinc/14/98/20/194149820.db2.gz KVBPJZXHSCRRQP-UHFFFAOYSA-N 0 0 314.455 0.363 10 0 DCAERN C[C@H](NCC(=O)NC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000105863570 194149873 /nfs/dbraw/zinc/14/98/73/194149873.db2.gz AJISFBCDZRHQLN-JTQLQIEISA-N 0 0 313.423 0.899 10 0 DCAERN CCNC(=O)CCN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865325 194150035 /nfs/dbraw/zinc/15/00/35/194150035.db2.gz OMQPXKCAADCSND-GFCCVEGCSA-N 0 0 309.414 0.837 10 0 DCAERN CCOc1ccnc(N2CCN(CCn3cccn3)CC2)n1 ZINC000105868610 194152175 /nfs/dbraw/zinc/15/21/75/194152175.db2.gz YPYLUKHXUXLACQ-UHFFFAOYSA-N 0 0 302.382 0.894 10 0 DCAERN 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307.272 0.776 10 0 DCAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000110347909 194323529 /nfs/dbraw/zinc/32/35/29/194323529.db2.gz IGPMSIFZGGCADP-GXSJLCMTSA-N 0 0 310.375 0.403 10 0 DCAERN CC(C)C[NH+]1CCC2(CC1)NC(=O)N(CCCC(=O)[O-])C2=O ZINC000057848731 184058125 /nfs/dbraw/zinc/05/81/25/184058125.db2.gz IJOBPKBQRYXDIN-UHFFFAOYSA-N 0 0 311.382 0.894 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCNC(=O)CC1 ZINC000059883872 184141850 /nfs/dbraw/zinc/14/18/50/184141850.db2.gz SJVMNKDRTBRURB-UHFFFAOYSA-N 0 0 310.375 0.442 10 0 DCAERN Cc1csc(CCNS(=O)(=O)c2cn(C)nc2N)n1 ZINC000063132678 184272843 /nfs/dbraw/zinc/27/28/43/184272843.db2.gz CUOJWROOCCBXOE-UHFFFAOYSA-N 0 0 301.397 0.288 10 0 DCAERN CN(Cc1ccc([C@H]2CC(=O)Nc3n[nH]cc32)o1)S(C)(=O)=O ZINC000065374661 184331531 /nfs/dbraw/zinc/33/15/31/184331531.db2.gz MDUGTVGSVVULOD-VIFPVBQESA-N 0 0 324.362 0.868 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000067332936 184460846 /nfs/dbraw/zinc/46/08/46/184460846.db2.gz SWOVOAGGWYEUJU-OLZOCXBDSA-N 0 0 303.362 0.081 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000172262600 532970046 /nfs/dbraw/zinc/97/00/46/532970046.db2.gz LNPXPNIKWNVLDP-OLZOCXBDSA-N 0 0 306.428 0.148 10 0 DCAERN CCNS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178786641 252609512 /nfs/dbraw/zinc/60/95/12/252609512.db2.gz IFUOTSZLGFAQCI-JOYOIKCWSA-N 0 0 306.334 0.927 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC(C)C ZINC000097015118 252591077 /nfs/dbraw/zinc/59/10/77/252591077.db2.gz DBTPILFTTHLVHL-SNVBAGLBSA-N 0 0 302.400 0.835 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCOC1 ZINC000171700314 252593551 /nfs/dbraw/zinc/59/35/51/252593551.db2.gz KSWZOJVCVIRKFH-LLVKDONJSA-N 0 0 302.330 0.968 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)c2ccc3c(n2)CCCC3)CCO1 ZINC000333062343 252675376 /nfs/dbraw/zinc/67/53/76/252675376.db2.gz ISKUMXUWCNYQAE-CQSZACIVSA-N 0 0 317.389 0.938 10 0 DCAERN CN1CCN(CC(=O)N[C@H]2CCc3ccccc3C2)CC1=O ZINC000333308011 252704629 /nfs/dbraw/zinc/70/46/29/252704629.db2.gz UTIBAOQZQDFKFY-HNNXBMFYSA-N 0 0 301.390 0.434 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)nc2n1 ZINC000333445597 252724151 /nfs/dbraw/zinc/72/41/51/252724151.db2.gz MSLJLRYPWXUXKM-JHJVBQTASA-N 0 0 315.377 0.967 10 0 DCAERN CO[C@@]1(C(=O)NCCCNC(=O)OC(C)(C)C)CCOC1 ZINC000401629598 533020285 /nfs/dbraw/zinc/02/02/85/533020285.db2.gz CKWYBSHZJGJVLJ-AWEZNQCLSA-N 0 0 302.371 0.823 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)c1 ZINC000338510496 252967093 /nfs/dbraw/zinc/96/70/93/252967093.db2.gz GTYIJLVUDONIJV-GFCCVEGCSA-N 0 0 303.362 0.833 10 0 DCAERN Cn1cc(Br)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000340581634 253280145 /nfs/dbraw/zinc/28/01/45/253280145.db2.gz SXYYPWUVIPUWNO-SSDOTTSWSA-N 0 0 315.171 0.533 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)O)c1 ZINC000340850207 253313664 /nfs/dbraw/zinc/31/36/64/253313664.db2.gz IBHDPSJWJXDOHB-GHMZBOCLSA-N 0 0 321.377 0.883 10 0 DCAERN Nc1ccccc1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000342487340 253500874 /nfs/dbraw/zinc/50/08/74/253500874.db2.gz CLVNJFLWUKGSFF-JTQLQIEISA-N 0 0 318.420 0.514 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000286517707 219031811 /nfs/dbraw/zinc/03/18/11/219031811.db2.gz QOEGIGLCHZISCF-CABCVRRESA-N 0 0 319.409 0.918 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000343181252 253613245 /nfs/dbraw/zinc/61/32/45/253613245.db2.gz OTLSCUPRAZDUFZ-BDAKNGLRSA-N 0 0 323.802 0.498 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCO1 ZINC000272882584 210272371 /nfs/dbraw/zinc/27/23/71/210272371.db2.gz QVJNQKGVRWZCOL-UHFFFAOYSA-N 0 0 305.377 0.725 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000344709918 253820696 /nfs/dbraw/zinc/82/06/96/253820696.db2.gz QTDUXGASCRYOOR-KBPBESRZSA-N 0 0 317.349 0.538 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000345519824 253936537 /nfs/dbraw/zinc/93/65/37/253936537.db2.gz KSWJOMPMEMVSFV-YRGRVCCFSA-N 0 0 322.361 0.236 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000346908490 254112130 /nfs/dbraw/zinc/11/21/30/254112130.db2.gz KWNPCBHPCICBHE-GDLCADMTSA-N 0 0 322.409 0.306 10 0 DCAERN COCCOc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(N)=O)cc1 ZINC000347226550 254140168 /nfs/dbraw/zinc/14/01/68/254140168.db2.gz GNTXJQMHPOEPQA-AAEUAGOBSA-N 0 0 310.325 0.750 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C1 ZINC000408162958 296396131 /nfs/dbraw/zinc/39/61/31/296396131.db2.gz AKSJQPSJTAFFBQ-IJLUTSLNSA-N 0 0 303.428 0.549 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271429974 208906683 /nfs/dbraw/zinc/90/66/83/208906683.db2.gz OOIPGCNAUDERFA-OASPWFOLSA-N 0 0 310.300 0.878 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)NC[C@@H](C)S(N)(=O)=O)n1 ZINC000350629326 254321248 /nfs/dbraw/zinc/32/12/48/254321248.db2.gz NGKPZHILWQTTOJ-SSDOTTSWSA-N 0 0 320.802 0.660 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000155046582 533196397 /nfs/dbraw/zinc/19/63/97/533196397.db2.gz DDLHCUWYLFQIIF-RDBSUJKOSA-N 0 0 308.426 0.733 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](O)Cc1ccccc1 ZINC000152054606 196764993 /nfs/dbraw/zinc/76/49/93/196764993.db2.gz MWJJGHPVFPPMGK-OAHLLOKOSA-N 0 0 313.357 0.531 10 0 DCAERN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CCO)[C@H](C)C1 ZINC000187731654 533220963 /nfs/dbraw/zinc/22/09/63/533220963.db2.gz LTCLQUPJGDJDMU-CABCVRRESA-N 0 0 317.433 0.963 10 0 DCAERN Cn1cc(CN2CCO[C@H]3CN(C(=O)C4CC4)C[C@H]3C2)cn1 ZINC000248144387 257108425 /nfs/dbraw/zinc/10/84/25/257108425.db2.gz RKHYNLQEKRBNKR-CABCVRRESA-N 0 0 304.394 0.489 10 0 DCAERN COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccoc1C)C2 ZINC000248049761 257109455 /nfs/dbraw/zinc/10/94/55/257109455.db2.gz WQKKZCLXTMCJPE-NSHDSACASA-N 0 0 313.375 0.864 10 0 DCAERN CN(C)c1ncc2c(n1)[C@@H]1CN(CC3CC3)C[C@@H]1S(=O)(=O)C2 ZINC000248099895 257109740 /nfs/dbraw/zinc/10/97/40/257109740.db2.gz HHLCBGYGSKXRIS-OLZOCXBDSA-N 0 0 322.434 0.649 10 0 DCAERN CNC(=O)[C@@H]1CO[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000247936055 257114357 /nfs/dbraw/zinc/11/43/57/257114357.db2.gz GYADORSVQNTHIZ-XQQFMLRXSA-N 0 0 310.375 0.068 10 0 DCAERN CS(=O)(=O)N[C@H]1CCO[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000247503729 257119220 /nfs/dbraw/zinc/11/92/20/257119220.db2.gz GHPWEIILOOQTID-AAEUAGOBSA-N 0 0 312.395 0.154 10 0 DCAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2 ZINC000247527317 257119332 /nfs/dbraw/zinc/11/93/32/257119332.db2.gz NKRRMCVQPPOKAN-CMPLNLGQSA-N 0 0 317.436 0.141 10 0 DCAERN OC(Cn1cnnc1)(Cn1cnnc1)c1ccc(F)cc1F ZINC000334162131 257262324 /nfs/dbraw/zinc/26/23/24/257262324.db2.gz KIKHHQMWPQRICC-UHFFFAOYSA-N 0 0 306.276 0.736 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000074197184 184964807 /nfs/dbraw/zinc/96/48/07/184964807.db2.gz OEOGYQAWIMDJRY-DOMZBBRYSA-N 0 0 318.377 0.242 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155729938 533245931 /nfs/dbraw/zinc/24/59/31/533245931.db2.gz PDUPYUYKRAOAIQ-NEPJUHHUSA-N 0 0 302.440 0.943 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(C)Cc1cc[nH]n1 ZINC000331086273 533401587 /nfs/dbraw/zinc/40/15/87/533401587.db2.gz CYUOMHCOTCBZQG-QWRGUYRKSA-N 0 0 301.368 0.513 10 0 DCAERN COc1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1O ZINC000176377981 533647306 /nfs/dbraw/zinc/64/73/06/533647306.db2.gz LCCOMZWPDNSXIV-UHFFFAOYSA-N 0 0 303.318 0.768 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)c1=O ZINC000275748935 130377797 /nfs/dbraw/zinc/37/77/97/130377797.db2.gz QDUXNFCGCRBOFD-IGQOVBAYSA-N 0 0 316.405 0.911 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000283778501 131022258 /nfs/dbraw/zinc/02/22/58/131022258.db2.gz KNZHVWNAPISKDY-MWLCHTKSSA-N 0 0 306.370 0.294 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157437 131054001 /nfs/dbraw/zinc/05/40/01/131054001.db2.gz QSOAKLQPAWLYCO-UONOGXRCSA-N 0 0 300.362 0.879 10 0 DCAERN CCn1cnc2c1ncnc2N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000284587604 131094960 /nfs/dbraw/zinc/09/49/60/131094960.db2.gz OMWRGBCIGLUKBO-ZJUUUORDSA-N 0 0 301.354 0.449 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@H]1C(N)=O ZINC000284746735 131108465 /nfs/dbraw/zinc/10/84/65/131108465.db2.gz NPBBXMCGRWLVJH-BXKDBHETSA-N 0 0 310.375 0.363 10 0 DCAERN COCCN(C)c1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cn1 ZINC000284761031 131109676 /nfs/dbraw/zinc/10/96/76/131109676.db2.gz ZWOBPCNFWISWGR-DOMZBBRYSA-N 0 0 322.409 0.239 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cnn(C)c2Br)C1 ZINC000284778350 131110629 /nfs/dbraw/zinc/11/06/29/131110629.db2.gz IKKPCUKQIXMWPX-JGVFFNPUSA-N 0 0 318.171 0.404 10 0 DCAERN COc1ccc(CCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1F ZINC000285534098 131178855 /nfs/dbraw/zinc/17/88/55/131178855.db2.gz NUDMKQOFWYKWCW-INIZCTEOSA-N 0 0 324.352 0.606 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000285554166 131180145 /nfs/dbraw/zinc/18/01/45/131180145.db2.gz VHEZRVROBOYNCA-CABCVRRESA-N 0 0 321.425 0.651 10 0 DCAERN CSC1(CNC(=O)c2cc(C(N)=O)cn2C)CCOCC1 ZINC000120650863 132150483 /nfs/dbraw/zinc/15/04/83/132150483.db2.gz DOZSOMPAZICEPX-UHFFFAOYSA-N 0 0 311.407 0.766 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000121012497 132151947 /nfs/dbraw/zinc/15/19/47/132151947.db2.gz LQIKDBBCLMCCSZ-UHFFFAOYSA-N 0 0 302.400 0.379 10 0 DCAERN CC(C)COCCCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122456557 132166455 /nfs/dbraw/zinc/16/64/55/132166455.db2.gz GTRSEWWRYMFJRU-GFCCVEGCSA-N 0 0 306.428 0.878 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000015205513 395689883 /nfs/dbraw/zinc/68/98/83/395689883.db2.gz CQKHENXHLAUMBH-REGZMLHKSA-N 0 0 322.313 0.308 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCCCCC1)N1CCOCC1 ZINC000030338120 395702411 /nfs/dbraw/zinc/70/24/11/395702411.db2.gz QVXPKJKPVFUUIP-CYBMUJFWSA-N 0 0 305.444 0.418 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1 ZINC000085978857 395702794 /nfs/dbraw/zinc/70/27/94/395702794.db2.gz CVUHILFNEQVEHN-SNVBAGLBSA-N 0 0 301.364 0.451 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000030691307 395703839 /nfs/dbraw/zinc/70/38/39/395703839.db2.gz YODQUOVJAKMZTE-CYBMUJFWSA-N 0 0 304.346 0.367 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C2(O)CCCCC2)cc1 ZINC000086555922 395704601 /nfs/dbraw/zinc/70/46/01/395704601.db2.gz NGEGMRHFXIKPTP-UHFFFAOYSA-N 0 0 312.391 0.645 10 0 DCAERN NC(=O)c1ccc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)nn1 ZINC000091480971 395725118 /nfs/dbraw/zinc/72/51/18/395725118.db2.gz ISSGKGHYKCMDQI-JTQLQIEISA-N 0 0 317.324 0.471 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NCC2CC(O)C2)c1 ZINC000091525464 395726161 /nfs/dbraw/zinc/72/61/61/395726161.db2.gz HZAHZHWRTYEDAI-UHFFFAOYSA-N 0 0 313.375 0.664 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037732134 395729153 /nfs/dbraw/zinc/72/91/53/395729153.db2.gz NROGWSRYGPWUTD-IUCAKERBSA-N 0 0 317.367 0.168 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H]2c2nncn2C)c(=O)[nH]c1C ZINC000092253325 395729889 /nfs/dbraw/zinc/72/98/89/395729889.db2.gz FCFWXGVTTAFGEN-SNVBAGLBSA-N 0 0 302.338 0.493 10 0 DCAERN COCCOCC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000041823433 395739492 /nfs/dbraw/zinc/73/94/92/395739492.db2.gz MKVXOQNIPKAWGS-UHFFFAOYSA-N 0 0 322.405 0.798 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CCn2cccn2)cc1 ZINC000040223556 395733116 /nfs/dbraw/zinc/73/31/16/395733116.db2.gz ATNVVYVOROUJHF-UHFFFAOYSA-N 0 0 308.363 0.237 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000040444530 395733602 /nfs/dbraw/zinc/73/36/02/395733602.db2.gz LRSANTKIDMIPSI-MFKMUULPSA-N 0 0 312.391 0.940 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NCc2ccnn2C)c1 ZINC000041314210 395736378 /nfs/dbraw/zinc/73/63/78/395736378.db2.gz KCKCCNVDVCFHBV-UHFFFAOYSA-N 0 0 301.350 0.779 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000041600495 395738039 /nfs/dbraw/zinc/73/80/39/395738039.db2.gz OVTRFMPUNXXRQF-CYBMUJFWSA-N 0 0 305.378 0.770 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@H](C)O1 ZINC000042242409 395743662 /nfs/dbraw/zinc/74/36/62/395743662.db2.gz DRVCCSNEKCKSNN-KBPBESRZSA-N 0 0 319.409 0.234 10 0 DCAERN Cn1cc(Cn2ncc(I)c2N)cn1 ZINC000043667038 395753993 /nfs/dbraw/zinc/75/39/93/395753993.db2.gz ZLTVNHQQNLOPFR-UHFFFAOYSA-N 0 0 303.107 0.852 10 0 DCAERN CC1CCN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)CC1 ZINC000044305571 395755972 /nfs/dbraw/zinc/75/59/72/395755972.db2.gz XCNCIYWPWXDYSJ-UHFFFAOYSA-N 0 0 305.444 0.810 10 0 DCAERN CCc1nc(CC(=O)NC[C@H](O)CN2CCOCC2)cs1 ZINC000097374803 395757451 /nfs/dbraw/zinc/75/74/51/395757451.db2.gz YXNJZIDWQOKIPY-LBPRGKRZSA-N 0 0 313.423 0.057 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)n1cccn1 ZINC000044689983 395758122 /nfs/dbraw/zinc/75/81/22/395758122.db2.gz VEIUKRXZKKMBIB-KBPBESRZSA-N 0 0 320.393 0.542 10 0 DCAERN O=C(Nc1nncs1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000043130356 395752172 /nfs/dbraw/zinc/75/21/72/395752172.db2.gz SHRPMIUYWXOQHX-SECBINFHSA-N 0 0 311.367 0.393 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1nc2cccnc2s1 ZINC000193874853 395781269 /nfs/dbraw/zinc/78/12/69/395781269.db2.gz IVRRLKWQWQDFPK-SNVBAGLBSA-N 0 0 322.390 0.114 10 0 DCAERN Cc1noc(CCNC(=O)NCC(=O)NC2CCCCC2)n1 ZINC000101618661 395766109 /nfs/dbraw/zinc/76/61/09/395766109.db2.gz DXCRKKBTOBLOQH-UHFFFAOYSA-N 0 0 309.370 0.669 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194629037 395802839 /nfs/dbraw/zinc/80/28/39/395802839.db2.gz WBJDTMNDLYKTQO-ZDUSSCGKSA-N 0 0 305.378 0.172 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619060 395802911 /nfs/dbraw/zinc/80/29/11/395802911.db2.gz QOCZBEBIAYKXRF-CQSZACIVSA-N 0 0 320.389 0.837 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCC[C@H](n4cncn4)C3)C2=O)cn1 ZINC000111229515 395803889 /nfs/dbraw/zinc/80/38/89/395803889.db2.gz YFMZZTCUCXZRKP-GXTWGEPZSA-N 0 0 315.381 0.454 10 0 DCAERN O=C(CS(=O)(=O)c1ncccc1Cl)NC[C@@H]1CCCO1 ZINC000047961926 395805055 /nfs/dbraw/zinc/80/50/55/395805055.db2.gz JISVOPFHJRGKKN-VIFPVBQESA-N 0 0 318.782 0.804 10 0 DCAERN Cc1c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)sc2nccn12 ZINC000270816079 395811126 /nfs/dbraw/zinc/81/11/26/395811126.db2.gz AGVGFVUSDFVLPG-SNVBAGLBSA-N 0 0 322.390 0.369 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ncccc1Br ZINC000194901230 395811191 /nfs/dbraw/zinc/81/11/91/395811191.db2.gz MHMOWDWKAFTCLD-ZETCQYMHSA-N 0 0 312.123 0.379 10 0 DCAERN CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1 ZINC000195082561 395815268 /nfs/dbraw/zinc/81/52/68/395815268.db2.gz UQYHBLCSTFEGIL-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335622 395816472 /nfs/dbraw/zinc/81/64/72/395816472.db2.gz ZZPALUGDPAIYHX-SNVBAGLBSA-N 0 0 314.183 0.905 10 0 DCAERN Cc1csc([C@H]2CCCN(CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000195330272 395824414 /nfs/dbraw/zinc/82/44/14/395824414.db2.gz QKLNZCZKNGJBFL-LBPRGKRZSA-N 0 0 322.434 0.589 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000195342182 395825712 /nfs/dbraw/zinc/82/57/12/395825712.db2.gz YWGARRGGYKQTSL-XQQFMLRXSA-N 0 0 306.428 0.004 10 0 DCAERN CCC(C)(C)NC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427167 395826140 /nfs/dbraw/zinc/82/61/40/395826140.db2.gz OTNNZHBJJYZBAB-UHFFFAOYSA-N 0 0 317.415 0.474 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000049170086 395828861 /nfs/dbraw/zinc/82/88/61/395828861.db2.gz JZCUWVVNMYCPPM-HUUCEWRRSA-N 0 0 321.421 0.762 10 0 DCAERN CCn1ccnc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195514227 395831058 /nfs/dbraw/zinc/83/10/58/395831058.db2.gz OWIBRKXOTACFNE-AWEZNQCLSA-N 0 0 306.410 0.974 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CCCOC)cc1 ZINC000049334394 395831197 /nfs/dbraw/zinc/83/11/97/395831197.db2.gz RPXSTGRJZKFEFO-UHFFFAOYSA-N 0 0 300.380 0.703 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CCO1 ZINC000198254848 395832854 /nfs/dbraw/zinc/83/28/54/395832854.db2.gz ZOMUPTBNIWBJIB-GFCCVEGCSA-N 0 0 323.393 0.831 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526730 395835382 /nfs/dbraw/zinc/83/53/82/395835382.db2.gz CHOWQQZGBDQFHU-GDBMZVCRSA-N 0 0 307.394 0.524 10 0 DCAERN CN(C(=O)c1nccnc1N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000114690015 395836277 /nfs/dbraw/zinc/83/62/77/395836277.db2.gz WCMXHTUVPKTOPX-GFCCVEGCSA-N 0 0 311.345 0.936 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000115715213 395840497 /nfs/dbraw/zinc/84/04/97/395840497.db2.gz CYCXLXICLCNLFU-LBPRGKRZSA-N 0 0 316.361 0.323 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115901 395860573 /nfs/dbraw/zinc/86/05/73/395860573.db2.gz WVYRHDJQDXHBFO-CYBMUJFWSA-N 0 0 305.378 0.689 10 0 DCAERN CNc1snc(C)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833692 395847088 /nfs/dbraw/zinc/84/70/88/395847088.db2.gz QHXIIFQNVNWEMK-QMMMGPOBSA-N 0 0 318.424 0.257 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)nc2)C1 ZINC000116832253 395847123 /nfs/dbraw/zinc/84/71/23/395847123.db2.gz BPRVQMHCSBUOCF-SECBINFHSA-N 0 0 303.771 0.499 10 0 DCAERN Cc1cccc(OCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116835373 395847746 /nfs/dbraw/zinc/84/77/46/395847746.db2.gz YQUDLSVZBFGJPE-LBPRGKRZSA-N 0 0 312.391 0.524 10 0 DCAERN NC(=O)c1nc(CNC(=O)[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000220442239 395848835 /nfs/dbraw/zinc/84/88/35/395848835.db2.gz UVBRTVCDEWTPOT-VIFPVBQESA-N 0 0 310.697 0.172 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000271232740 395849593 /nfs/dbraw/zinc/84/95/93/395849593.db2.gz QYGNCGSQRIUIMX-VIFPVBQESA-N 0 0 305.338 0.265 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cc(Cl)nc(NC)n2)CCO1 ZINC000220663277 395849834 /nfs/dbraw/zinc/84/98/34/395849834.db2.gz UMHGURNRAHCCON-MRVPVSSYSA-N 0 0 300.746 0.940 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCOc3ccccc32)CCO1 ZINC000051676283 395852923 /nfs/dbraw/zinc/85/29/23/395852923.db2.gz LOYJHACSTGDCHF-AAEUAGOBSA-N 0 0 305.334 0.406 10 0 DCAERN COCCN1CCN(C(=O)NCCc2ccccn2)C[C@H]1C ZINC000117467497 395853119 /nfs/dbraw/zinc/85/31/19/395853119.db2.gz BFRXXEHUOCEQKH-CQSZACIVSA-N 0 0 306.410 0.986 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc(OCC(N)=O)cc2)c1 ZINC000117812368 395854928 /nfs/dbraw/zinc/85/49/28/395854928.db2.gz FLGODGRCHXIMAY-UHFFFAOYSA-N 0 0 302.334 0.486 10 0 DCAERN COC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000117884461 395855836 /nfs/dbraw/zinc/85/58/36/395855836.db2.gz GDSNVVIXEIOSOC-QWHCGFSZSA-N 0 0 312.391 0.524 10 0 DCAERN Cc1ccc(CN(C)C(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000194236552 395792026 /nfs/dbraw/zinc/79/20/26/395792026.db2.gz NNPJNXUCKJHZHM-UHFFFAOYSA-N 0 0 308.338 0.671 10 0 DCAERN O=C1CNC(=O)N1c1ccc(I)cn1 ZINC000236240479 395893623 /nfs/dbraw/zinc/89/36/23/395893623.db2.gz WNXRKBZOMPVZMR-UHFFFAOYSA-N 0 0 303.059 0.742 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000123468526 395894162 /nfs/dbraw/zinc/89/41/62/395894162.db2.gz PENRWFABZQIZRM-ZETCQYMHSA-N 0 0 302.377 0.112 10 0 DCAERN CCC(C)(C)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123555124 395895345 /nfs/dbraw/zinc/89/53/45/395895345.db2.gz ZZWGQUSPEJPSCE-UTUOFQBUSA-N 0 0 300.399 0.942 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000245445343 395929470 /nfs/dbraw/zinc/92/94/70/395929470.db2.gz YUROLMRTWJQVEV-WOPDTQHZSA-N 0 0 319.365 0.471 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000123639277 395895875 /nfs/dbraw/zinc/89/58/75/395895875.db2.gz IJTKRIBDRUCGIY-OCCSQVGLSA-N 0 0 306.362 0.565 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H](C)O1 ZINC000123745211 395896733 /nfs/dbraw/zinc/89/67/33/395896733.db2.gz PIJHESVDFNDVAJ-NEPJUHHUSA-N 0 0 300.399 0.801 10 0 DCAERN Cc1cnn(CCNC(=O)CCCNC(=O)c2cccnc2)c1 ZINC000123807320 395897290 /nfs/dbraw/zinc/89/72/90/395897290.db2.gz WOLQQIMQYZZMIM-UHFFFAOYSA-N 0 0 315.377 0.913 10 0 DCAERN Cc1nc(CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)no1 ZINC000124497567 395901019 /nfs/dbraw/zinc/90/10/19/395901019.db2.gz NIJQFALQTYNDTE-GHMZBOCLSA-N 0 0 320.349 0.560 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682206 395904944 /nfs/dbraw/zinc/90/49/44/395904944.db2.gz LHDTWHFFJDZQKJ-RHSMWYFYSA-N 0 0 319.405 0.450 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000055247000 395914803 /nfs/dbraw/zinc/91/48/03/395914803.db2.gz UEQBBOGENXCMEU-LLVKDONJSA-N 0 0 316.354 0.733 10 0 DCAERN CC[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1nccs1 ZINC000130651626 395923523 /nfs/dbraw/zinc/92/35/23/395923523.db2.gz SOYBQIXGQAYBJP-SNVBAGLBSA-N 0 0 324.406 0.401 10 0 DCAERN CC[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nccs1 ZINC000131096984 395924353 /nfs/dbraw/zinc/92/43/53/395924353.db2.gz DDDDYCDBXYUJDM-VIFPVBQESA-N 0 0 322.394 0.704 10 0 DCAERN O=C1CCN(S(=O)(=O)c2c(F)cccc2Cl)CCN1 ZINC000131545153 395924922 /nfs/dbraw/zinc/92/49/22/395924922.db2.gz YLDCDSBUENZYBR-UHFFFAOYSA-N 0 0 306.746 0.990 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCO1 ZINC000271420905 395864731 /nfs/dbraw/zinc/86/47/31/395864731.db2.gz ZJOZAVXHBWOWLM-HZSPNIEDSA-N 0 0 308.382 0.861 10 0 DCAERN O=C(CN1CCC(=O)Nc2ccccc21)NC(=O)NC1CC1 ZINC000118845778 395864811 /nfs/dbraw/zinc/86/48/11/395864811.db2.gz ILAFDPOIBVQRSY-UHFFFAOYSA-N 0 0 302.334 0.823 10 0 DCAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCO2)cc1F ZINC000273529009 395927692 /nfs/dbraw/zinc/92/76/92/395927692.db2.gz QASMEWRPDNQNTJ-UHFFFAOYSA-N 0 0 309.340 0.555 10 0 DCAERN COCCCCn1cc(I)c(=O)[nH]c1=O ZINC000228749224 395872973 /nfs/dbraw/zinc/87/29/73/395872973.db2.gz SOMPNOKZOAHIHM-UHFFFAOYSA-N 0 0 324.118 0.568 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000119857913 395877215 /nfs/dbraw/zinc/87/72/15/395877215.db2.gz QCJVCCKOXQSERW-SECBINFHSA-N 0 0 318.420 0.212 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855026 395877387 /nfs/dbraw/zinc/87/73/87/395877387.db2.gz XNRJDSKSACMNSP-CYBMUJFWSA-N 0 0 301.350 0.532 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2CCOC2)s1 ZINC000230168853 395878944 /nfs/dbraw/zinc/87/89/44/395878944.db2.gz MLMWURKWXLFQRY-VIFPVBQESA-N 0 0 318.420 0.481 10 0 DCAERN C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000272252044 395879730 /nfs/dbraw/zinc/87/97/30/395879730.db2.gz ZJSNTJYBNANTJN-JTQLQIEISA-N 0 0 308.382 0.288 10 0 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YSKMUSKCXZSPIP-WDEREUQCSA-N 0 0 320.397 0.637 10 0 DCAERN C[C@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)[C@H]1CO ZINC000248881640 395999250 /nfs/dbraw/zinc/99/92/50/395999250.db2.gz DFVMGWMQZXPZPO-FZMZJTMJSA-N 0 0 303.362 0.674 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246242974 395945255 /nfs/dbraw/zinc/94/52/55/395945255.db2.gz XOMZVKSZGPODSX-HBNTYKKESA-N 0 0 305.334 0.995 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294143 395946119 /nfs/dbraw/zinc/94/61/19/395946119.db2.gz BFOZJZDFMMQQRE-QWHCGFSZSA-N 0 0 324.450 0.758 10 0 DCAERN C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410727 395949123 /nfs/dbraw/zinc/94/91/23/395949123.db2.gz JZYNGFGDWGLKMN-GHMZBOCLSA-N 0 0 309.332 0.317 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246571977 395952680 /nfs/dbraw/zinc/95/26/80/395952680.db2.gz SPHIDWJBGQSTFM-FRRDWIJNSA-N 0 0 306.428 0.004 10 0 DCAERN O=C(CCNC(=O)c1csc(Cl)n1)N1CCOCC1 ZINC000274498888 395953186 /nfs/dbraw/zinc/95/31/86/395953186.db2.gz PDGXRHAMLUPOND-UHFFFAOYSA-N 0 0 303.771 0.775 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000058841981 395955819 /nfs/dbraw/zinc/95/58/19/395955819.db2.gz QYOCUXDZIZKTKE-LBPRGKRZSA-N 0 0 319.409 0.674 10 0 DCAERN CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1C[C@H](C)O ZINC000246824369 395958772 /nfs/dbraw/zinc/95/87/72/395958772.db2.gz LKVSMXSJMLLADC-WCQYABFASA-N 0 0 324.425 0.654 10 0 DCAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC[C@H]1CCCO1 ZINC000246866226 395959377 /nfs/dbraw/zinc/95/93/77/395959377.db2.gz UMDPUPALWJGWKT-HIFRSBDPSA-N 0 0 305.378 0.830 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956585 395961808 /nfs/dbraw/zinc/96/18/08/395961808.db2.gz SMWFNOFHARFZIO-OWCLPIDISA-N 0 0 319.405 0.966 10 0 DCAERN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@H]2CCC[C@]21N1CCOCC1 ZINC000145766535 395964579 /nfs/dbraw/zinc/96/45/79/395964579.db2.gz LQQLVRMAHGKYSA-WDBKCZKBSA-N 0 0 305.358 0.784 10 0 DCAERN CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](C)CO)N1CCOCC1 ZINC000247179332 395969116 /nfs/dbraw/zinc/96/91/16/395969116.db2.gz LSEHFWILWRNBGT-MCIONIFRSA-N 0 0 301.431 0.659 10 0 DCAERN COc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1C ZINC000150737380 395971985 /nfs/dbraw/zinc/97/19/85/395971985.db2.gz BMUCFUBIKDFCQX-UHFFFAOYSA-N 0 0 303.318 0.653 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000150848171 395974429 /nfs/dbraw/zinc/97/44/29/395974429.db2.gz PJEIJZYJLVZZMT-LBPRGKRZSA-N 0 0 319.336 0.133 10 0 DCAERN COC(=O)[C@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000151018509 395977339 /nfs/dbraw/zinc/97/73/39/395977339.db2.gz FEFGQVRBFQNLKZ-SECBINFHSA-N 0 0 307.272 0.813 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC000276378788 395991304 /nfs/dbraw/zinc/99/13/04/395991304.db2.gz LGQKZUDUPVBILP-LNLATYFQSA-N 0 0 306.318 0.792 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)c1cnn2ccc(C)nc12 ZINC000151875618 395994967 /nfs/dbraw/zinc/99/49/67/395994967.db2.gz YWRRTUMYJKXFFL-UHFFFAOYSA-N 0 0 310.379 0.544 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248817518 395997655 /nfs/dbraw/zinc/99/76/55/395997655.db2.gz UUEMFUVTFKZFEP-DGCLKSJQSA-N 0 0 323.397 0.511 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000151955920 395997882 /nfs/dbraw/zinc/99/78/82/395997882.db2.gz BWQZPVGHNYLQLO-NWDGAFQWSA-N 0 0 314.407 0.488 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067201709 396022599 /nfs/dbraw/zinc/02/25/99/396022599.db2.gz LLXDXGKNYQVMRN-CQSZACIVSA-N 0 0 319.405 0.717 10 0 DCAERN Cc1c2ccccc2oc(=O)c1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000153344993 396023872 /nfs/dbraw/zinc/02/38/72/396023872.db2.gz KZKFUKQFQUPZGE-JTQLQIEISA-N 0 0 314.297 0.636 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000276743021 396025027 /nfs/dbraw/zinc/02/50/27/396025027.db2.gz ROZSXUGCRDSMKP-IACUBPJLSA-N 0 0 320.393 0.868 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2OC)C[C@H]1CO ZINC000253399965 396027205 /nfs/dbraw/zinc/02/72/05/396027205.db2.gz DNGBPJJJXUPKAN-UONOGXRCSA-N 0 0 320.389 0.441 10 0 DCAERN Cc1cccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154136011 396032041 /nfs/dbraw/zinc/03/20/41/396032041.db2.gz FKSDIBUTTOSSHB-GJZGRUSLSA-N 0 0 322.405 0.572 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Cl)cc1O ZINC000154139849 396032087 /nfs/dbraw/zinc/03/20/87/396032087.db2.gz GECVRXIEPKSSOL-NSHDSACASA-N 0 0 314.769 0.469 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154136102 396032404 /nfs/dbraw/zinc/03/24/04/396032404.db2.gz FKSDIBUTTOSSHB-CABCVRRESA-N 0 0 322.405 0.572 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CCC1=O ZINC000154260377 396034808 /nfs/dbraw/zinc/03/48/08/396034808.db2.gz WWNVCWKOTSJMHP-YPMHNXCESA-N 0 0 322.340 0.272 10 0 DCAERN CCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NC ZINC000257188912 396034890 /nfs/dbraw/zinc/03/48/90/396034890.db2.gz NEQYSCDNTJITLW-QWHCGFSZSA-N 0 0 306.366 0.769 10 0 DCAERN CCS(=O)(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257196244 396035994 /nfs/dbraw/zinc/03/59/94/396035994.db2.gz XWFIAPKGZJFITH-NEPJUHHUSA-N 0 0 304.412 0.343 10 0 DCAERN COCC(=O)N[C@H]1CCC12CCN(S(=O)(=O)C(C)C)CC2 ZINC000257197070 396036122 /nfs/dbraw/zinc/03/61/22/396036122.db2.gz ZJKJYOJVSJCOAZ-LBPRGKRZSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCS1(=O)=O ZINC000155591648 396054101 /nfs/dbraw/zinc/05/41/01/396054101.db2.gz UCJKXGFNUZXFHA-JSGCOSHPSA-N 0 0 310.419 0.935 10 0 DCAERN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCS1(=O)=O ZINC000155591529 396054261 /nfs/dbraw/zinc/05/42/61/396054261.db2.gz UCJKXGFNUZXFHA-OCCSQVGLSA-N 0 0 310.419 0.935 10 0 DCAERN CC[C@@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(=O)OC ZINC000155606214 396054742 /nfs/dbraw/zinc/05/47/42/396054742.db2.gz SZWPWGIYOPTOAG-LLVKDONJSA-N 0 0 306.322 0.909 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCCN(c2cccnn2)CC1 ZINC000155714288 396056751 /nfs/dbraw/zinc/05/67/51/396056751.db2.gz VSMMTBLZUAAWNM-LBPRGKRZSA-N 0 0 303.366 0.042 10 0 DCAERN COc1ccc(C(=O)NCc2cccnc2-n2ccnc2)nn1 ZINC000155739376 396057376 /nfs/dbraw/zinc/05/73/76/396057376.db2.gz HURFNIHGRPYFGN-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN CSC[C@](C)(O)CNC(=O)NCCc1c(C)nn(C)c1C ZINC000156849064 396061840 /nfs/dbraw/zinc/06/18/40/396061840.db2.gz NLLMNWOLXGKRIR-CQSZACIVSA-N 0 0 314.455 0.993 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261761898 396063114 /nfs/dbraw/zinc/06/31/14/396063114.db2.gz OBTAONXCFTXCPQ-CYBMUJFWSA-N 0 0 305.382 0.264 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158560318 396064757 /nfs/dbraw/zinc/06/47/57/396064757.db2.gz NTSWCXNHDUVNLR-AAEUAGOBSA-N 0 0 318.377 0.960 10 0 DCAERN Cc1noc(COCC(=O)NC[C@]2(O)CCc3ccccc32)n1 ZINC000159288711 396066796 /nfs/dbraw/zinc/06/67/96/396066796.db2.gz JIKUXSBWCQYDHM-MRXNPFEDSA-N 0 0 317.345 0.845 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2csc(-c3ncccn3)n2)C1 ZINC000159275030 396067059 /nfs/dbraw/zinc/06/70/59/396067059.db2.gz AUGAYXCQECPPIO-SNVBAGLBSA-N 0 0 317.374 0.951 10 0 DCAERN O=C(CCCc1nc2ccccc2[nH]1)N[C@@H]1CCC(=O)NC1=O ZINC000152200468 396002720 /nfs/dbraw/zinc/00/27/20/396002720.db2.gz UJEADUOWPLTGOP-GFCCVEGCSA-N 0 0 314.345 0.807 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000276491264 396002867 /nfs/dbraw/zinc/00/28/67/396002867.db2.gz OVKKPXNHGAJITB-NWDGAFQWSA-N 0 0 321.381 0.629 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261831430 396070206 /nfs/dbraw/zinc/07/02/06/396070206.db2.gz OHSIAXKMZSCVRS-ZDUSSCGKSA-N 0 0 321.406 0.633 10 0 DCAERN CC(C)[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1cccnc1 ZINC000152451136 396010020 /nfs/dbraw/zinc/01/00/20/396010020.db2.gz KRDQNSAIQMPHSP-RYUDHWBXSA-N 0 0 304.350 0.536 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356271 396014233 /nfs/dbraw/zinc/01/42/33/396014233.db2.gz LLIUZLWVDRYIOR-TZMCWYRMSA-N 0 0 304.350 0.021 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250245038 396014626 /nfs/dbraw/zinc/01/46/26/396014626.db2.gz WGWBYFGSMGPPMP-STQMWFEESA-N 0 0 315.439 0.107 10 0 DCAERN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](C)O)CC2)c1 ZINC000153042711 396019577 /nfs/dbraw/zinc/01/95/77/396019577.db2.gz KTANFICLIKKTRT-CYBMUJFWSA-N 0 0 305.378 0.459 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC2(CO)CC2)c1C ZINC000164230447 396087308 /nfs/dbraw/zinc/08/73/08/396087308.db2.gz QDUYBBLNHGBHCF-UHFFFAOYSA-N 0 0 316.379 0.611 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1 ZINC000167679959 396089560 /nfs/dbraw/zinc/08/95/60/396089560.db2.gz VEOJQOIIWBQOKY-LBPRGKRZSA-N 0 0 313.375 0.405 10 0 DCAERN CCC(=O)N1CCN([C@@H]2CCN(Cc3ccccn3)C2=O)CC1 ZINC000169752158 396091168 /nfs/dbraw/zinc/09/11/68/396091168.db2.gz CBPNAYGGPHYZLW-OAHLLOKOSA-N 0 0 316.405 0.737 10 0 DCAERN COCc1nc([C@@H]2CCCN(C(=O)c3nccn3C)C2)no1 ZINC000169770896 396091181 /nfs/dbraw/zinc/09/11/81/396091181.db2.gz UPCHEUQKOORZFA-SNVBAGLBSA-N 0 0 305.338 0.969 10 0 DCAERN Cc1nnc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C)C2)o1 ZINC000277879238 396092003 /nfs/dbraw/zinc/09/20/03/396092003.db2.gz DPWOYVYEUHXDRV-ZYHUDNBSSA-N 0 0 322.365 0.536 10 0 DCAERN CCn1cc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)cn1 ZINC000169783653 396092697 /nfs/dbraw/zinc/09/26/97/396092697.db2.gz NUCIDVSBERDMMR-UHFFFAOYSA-N 0 0 316.409 0.730 10 0 DCAERN Cc1ccc(S(=O)(=O)CC(=O)N(C)Cc2cnn(C)c2)nc1 ZINC000170748420 396097707 /nfs/dbraw/zinc/09/77/07/396097707.db2.gz AUEPHKBKJUPEQO-UHFFFAOYSA-N 0 0 322.390 0.556 10 0 DCAERN COc1cccc(-c2nnn(Cc3nnnn3C(C)C)n2)c1 ZINC000170813480 396097870 /nfs/dbraw/zinc/09/78/70/396097870.db2.gz CGIYXIHKXKFHHR-UHFFFAOYSA-N 0 0 300.326 0.964 10 0 DCAERN Cc1cc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000175731430 396141600 /nfs/dbraw/zinc/14/16/00/396141600.db2.gz KBRJNQPOFMTYLY-SMDDNHRTSA-N 0 0 308.382 0.845 10 0 DCAERN COc1cccc(N2CCN(Cc3noc(CN)n3)CC2)c1 ZINC000262091020 396098081 /nfs/dbraw/zinc/09/80/81/396098081.db2.gz HZEFJHATSIOISB-UHFFFAOYSA-N 0 0 303.366 0.859 10 0 DCAERN c1nc(N2CCOCC2)cc(N2CCO[C@]3(CCOC3)C2)n1 ZINC000277975463 396098639 /nfs/dbraw/zinc/09/86/39/396098639.db2.gz ZCCATUXJAOVYDJ-OAHLLOKOSA-N 0 0 306.366 0.309 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C2)no1 ZINC000170895664 396100324 /nfs/dbraw/zinc/10/03/24/396100324.db2.gz HLSRWDWQQFGUOL-CMPLNLGQSA-N 0 0 323.397 0.819 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCN(C)C2)cc1 ZINC000070303100 396101167 /nfs/dbraw/zinc/10/11/67/396101167.db2.gz LEHFVEPFGFMBSY-LBPRGKRZSA-N 0 0 312.391 0.385 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@H](O)C2)c2ccccc2c1=O ZINC000070870991 396105921 /nfs/dbraw/zinc/10/59/21/396105921.db2.gz MGXVLVGYMHAFGO-NSHDSACASA-N 0 0 301.346 0.459 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094488 396106542 /nfs/dbraw/zinc/10/65/42/396106542.db2.gz BKXUCJOXEISLQQ-SECBINFHSA-N 0 0 306.334 0.574 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171182035 396109060 /nfs/dbraw/zinc/10/90/60/396109060.db2.gz HIWRYESMHLCRNL-UHFFFAOYSA-N 0 0 320.397 0.080 10 0 DCAERN Cc1noc(CCNC(=O)NCC(=O)Nc2ccccc2)n1 ZINC000171225289 396112189 /nfs/dbraw/zinc/11/21/89/396112189.db2.gz MRLNARARTAPQAQ-UHFFFAOYSA-N 0 0 303.322 0.858 10 0 DCAERN CC(=O)Nc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1F ZINC000171286314 396113058 /nfs/dbraw/zinc/11/30/58/396113058.db2.gz ZRTWGODXDSYTKE-GFCCVEGCSA-N 0 0 309.341 0.845 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](CO)C3)C2)n(C)n1 ZINC000278329876 396119222 /nfs/dbraw/zinc/11/92/22/396119222.db2.gz HDAIUHRTRXINCB-KBPBESRZSA-N 0 0 321.425 0.721 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](CO)C3)C2)n(C)n1 ZINC000278329886 396119386 /nfs/dbraw/zinc/11/93/86/396119386.db2.gz HDAIUHRTRXINCB-UONOGXRCSA-N 0 0 321.425 0.721 10 0 DCAERN O=C(NCCNC(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000171607125 396119763 /nfs/dbraw/zinc/11/97/63/396119763.db2.gz QFUUFDBTPCVRHA-UHFFFAOYSA-N 0 0 316.405 0.906 10 0 DCAERN Cc1ncc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)s1 ZINC000171629030 396120515 /nfs/dbraw/zinc/12/05/15/396120515.db2.gz JCZMQMZFKFUSJR-CQSZACIVSA-N 0 0 321.450 0.827 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@@H]1CCCOC1 ZINC000171624763 396120843 /nfs/dbraw/zinc/12/08/43/396120843.db2.gz GNNUTVIYKIZQLT-GFCCVEGCSA-N 0 0 315.333 0.501 10 0 DCAERN Cn1cc(NC(=O)c2ccc3ncccc3c2)c(=O)n(C)c1=O ZINC000173085463 396134256 /nfs/dbraw/zinc/13/42/56/396134256.db2.gz IPSUIOCOEZUHDP-UHFFFAOYSA-N 0 0 310.313 0.885 10 0 DCAERN Cc1cnc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000173634566 396135659 /nfs/dbraw/zinc/13/56/59/396135659.db2.gz RAYYLSHOHBTCDV-IUCAKERBSA-N 0 0 305.425 0.895 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173892991 396136082 /nfs/dbraw/zinc/13/60/82/396136082.db2.gz MPGKNPDKXQMOSL-ZIAGYGMSSA-N 0 0 320.455 0.538 10 0 DCAERN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000173948819 396136895 /nfs/dbraw/zinc/13/68/95/396136895.db2.gz SROSOZACGAGQNS-VXGBXAGGSA-N 0 0 321.343 0.556 10 0 DCAERN O=S(=O)(N1CC[C@@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000173998089 396137071 /nfs/dbraw/zinc/13/70/71/396137071.db2.gz DLRMQHARULTKPS-CQSZACIVSA-N 0 0 317.455 0.514 10 0 DCAERN Cc1noc(CCNC(=O)c2ccc(N3CCCC3)nn2)n1 ZINC000069422755 396078101 /nfs/dbraw/zinc/07/81/01/396078101.db2.gz MMIRSHXWBDZZGY-UHFFFAOYSA-N 0 0 302.338 0.741 10 0 DCAERN Cn1cnc2c1CCN(CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2 ZINC000069490018 396080399 /nfs/dbraw/zinc/08/03/99/396080399.db2.gz UPIJYPJXNRRKOL-HOTGVXAUSA-N 0 0 318.421 0.948 10 0 DCAERN O=C(COC1CCOCC1)N1CCNC[C@@H]1c1cccnc1 ZINC000261938177 396081701 /nfs/dbraw/zinc/08/17/01/396081701.db2.gz KDTWMYPFLIAXOU-OAHLLOKOSA-N 0 0 305.378 0.750 10 0 DCAERN Cn1ncnc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000162933633 396085203 /nfs/dbraw/zinc/08/52/03/396085203.db2.gz IJMQLRHMGWMHTO-UHFFFAOYSA-N 0 0 314.393 0.571 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263222550 396206887 /nfs/dbraw/zinc/20/68/87/396206887.db2.gz MDQBUKHWRGESMY-MNOVXSKESA-N 0 0 303.353 0.891 10 0 DCAERN CC(C)(C)C[C@@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178778207 396209156 /nfs/dbraw/zinc/20/91/56/396209156.db2.gz XHWAVRMQVDZPEN-LLVKDONJSA-N 0 0 314.407 0.861 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1)N1CCCC1 ZINC000263251077 396209472 /nfs/dbraw/zinc/20/94/72/396209472.db2.gz PXYUHNDSFBMLGP-VXGBXAGGSA-N 0 0 315.364 0.845 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000279056058 396150573 /nfs/dbraw/zinc/15/05/73/396150573.db2.gz YLZPENRGKKVSRM-BSAWIPCISA-N 0 0 324.450 0.996 10 0 DCAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C1CCCC1 ZINC000176481093 396155543 /nfs/dbraw/zinc/15/55/43/396155543.db2.gz HTOXFGZHTPTQMX-SNVBAGLBSA-N 0 0 314.411 0.393 10 0 DCAERN CN(CC(C)(C)O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000176474310 396155662 /nfs/dbraw/zinc/15/56/62/396155662.db2.gz WXCDSBBBCBIANO-TZMCWYRMSA-N 0 0 305.378 0.830 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1nc(C)cs1 ZINC000176429398 396155912 /nfs/dbraw/zinc/15/59/12/396155912.db2.gz XMTKEWPWYCMPSC-SECBINFHSA-N 0 0 305.425 0.910 10 0 DCAERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000176538373 396156409 /nfs/dbraw/zinc/15/64/09/396156409.db2.gz SZIZOSVULDIEFX-YPMHNXCESA-N 0 0 301.346 0.943 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1N1CCOCC1 ZINC000176704453 396159333 /nfs/dbraw/zinc/15/93/33/396159333.db2.gz GUYKEKSKJDNYJJ-HIFRSBDPSA-N 0 0 318.421 0.940 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000076967563 396210416 /nfs/dbraw/zinc/21/04/16/396210416.db2.gz YNOASCPXSIZKJP-NSHDSACASA-N 0 0 312.391 0.893 10 0 DCAERN O=C1NC[C@@H]2CN(C[C@@H](O)COCc3ccccc3)CCN12 ZINC000176924330 396163458 /nfs/dbraw/zinc/16/34/58/396163458.db2.gz VHXIFCISDLTJBO-HUUCEWRRSA-N 0 0 305.378 0.274 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000177223789 396170277 /nfs/dbraw/zinc/17/02/77/396170277.db2.gz KTPHJFMYCYGKCZ-AAEUAGOBSA-N 0 0 313.423 0.863 10 0 DCAERN C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178848213 396210881 /nfs/dbraw/zinc/21/08/81/396210881.db2.gz ICHURTDZRKVTEK-CMPLNLGQSA-N 0 0 312.391 0.710 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc(C(N)=O)cc2)n1 ZINC000263280351 396211221 /nfs/dbraw/zinc/21/12/21/396211221.db2.gz UDNPSGKUMLYAHE-LVDDQXARSA-N 0 0 313.361 0.915 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000075525204 396180715 /nfs/dbraw/zinc/18/07/15/396180715.db2.gz RLZQDJUIJXDNFH-KOLCDFICSA-N 0 0 313.379 0.174 10 0 DCAERN C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177671803 396180861 /nfs/dbraw/zinc/18/08/61/396180861.db2.gz SWJLDTPMBSCPCH-KOLCDFICSA-N 0 0 312.347 0.566 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)[C@H](C)CO ZINC000177791675 396183658 /nfs/dbraw/zinc/18/36/58/396183658.db2.gz BSUTWXSXHFYNOQ-GHMZBOCLSA-N 0 0 317.349 0.339 10 0 DCAERN CCOc1ccnc(N2CCCN([C@@H]3CCNC3=O)CC2)n1 ZINC000178211917 396192105 /nfs/dbraw/zinc/19/21/05/396192105.db2.gz YDPQPWCGERLYTN-GFCCVEGCSA-N 0 0 305.382 0.276 10 0 DCAERN CC1CCC(NC(=O)CN2CCN([C@@H]3CCNC3=O)CC2)CC1 ZINC000178302015 396193038 /nfs/dbraw/zinc/19/30/38/396193038.db2.gz YSNLNXILVSKDSX-YMAMQOFZSA-N 0 0 322.453 0.187 10 0 DCAERN C[C@]1(CNC(=O)CNC(=O)c2ccccn2)CCCC[C@@H]1O ZINC000178311917 396193678 /nfs/dbraw/zinc/19/36/78/396193678.db2.gz BPUHDTYHVDSNBY-XJKSGUPXSA-N 0 0 305.378 0.869 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)[nH]1 ZINC000262960295 396194637 /nfs/dbraw/zinc/19/46/37/396194637.db2.gz KRVBEFZGXZXGRE-IUCAKERBSA-N 0 0 301.297 0.010 10 0 DCAERN CCCCCOCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263014372 396197593 /nfs/dbraw/zinc/19/75/93/396197593.db2.gz ZBDIOWQMLYBAHP-ZDUSSCGKSA-N 0 0 316.398 0.437 10 0 DCAERN CO[C@@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000076245150 396199632 /nfs/dbraw/zinc/19/96/32/396199632.db2.gz ZJBIMOLGFZMLLY-GFCCVEGCSA-N 0 0 303.366 0.921 10 0 DCAERN O=C(CNC(=O)[C@H]1CC(F)(F)CN1)Nc1ccc(F)cc1 ZINC000263055592 396199968 /nfs/dbraw/zinc/19/99/68/396199968.db2.gz UXDBYJUOZXNWQK-SNVBAGLBSA-N 0 0 301.268 0.878 10 0 DCAERN CC(C)C(=O)NC1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263052538 396200081 /nfs/dbraw/zinc/20/00/81/396200081.db2.gz UQEVHJYVLIORGS-NSHDSACASA-N 0 0 303.353 0.747 10 0 DCAERN Cc1nnc(CSCc2cc(=O)n(C)c(=O)n2C)n1C1CC1 ZINC000180777929 396234349 /nfs/dbraw/zinc/23/43/49/396234349.db2.gz ZAOYJQWPPRNMLX-UHFFFAOYSA-N 0 0 321.406 0.752 10 0 DCAERN O=C1C[C@@H](C(F)(F)F)N(S(=O)(=O)c2cccnc2)CCN1 ZINC000180721742 396234807 /nfs/dbraw/zinc/23/48/07/396234807.db2.gz WKTOVULRGFZCQI-VIFPVBQESA-N 0 0 323.296 0.523 10 0 DCAERN CCOc1c(F)cccc1C(=O)NCC(=O)N1CCOCC1 ZINC000181055192 396236242 /nfs/dbraw/zinc/23/62/42/396236242.db2.gz IDXBVMZWIONDGW-UHFFFAOYSA-N 0 0 310.325 0.813 10 0 DCAERN NC(=O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181263017 396238002 /nfs/dbraw/zinc/23/80/02/396238002.db2.gz NDVRCPMWSNQHSE-UHFFFAOYSA-N 0 0 304.325 0.550 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N(C)CC(=O)NC1CC1 ZINC000181643099 396240826 /nfs/dbraw/zinc/24/08/26/396240826.db2.gz BHOBZWLMUVNCEF-UHFFFAOYSA-N 0 0 317.349 0.328 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000181702800 396241589 /nfs/dbraw/zinc/24/15/89/396241589.db2.gz STMVZCRTCGMLAA-AWEZNQCLSA-N 0 0 324.381 0.894 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1F ZINC000181786700 396242289 /nfs/dbraw/zinc/24/22/89/396242289.db2.gz CKYCADDPAXACNU-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCC(C)(C)CO)CC1 ZINC000181829678 396242805 /nfs/dbraw/zinc/24/28/05/396242805.db2.gz BLBGNIJTFPRWCQ-CQSZACIVSA-N 0 0 315.458 0.883 10 0 DCAERN CC(C)(C)OC(=O)CCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000181892024 396243301 /nfs/dbraw/zinc/24/33/01/396243301.db2.gz BLWBNPMGIHNKBR-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)CC1=O ZINC000078564611 396248233 /nfs/dbraw/zinc/24/82/33/396248233.db2.gz SGGBCRGEYOCRGS-MRTMQBJTSA-N 0 0 302.338 0.078 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1N1CCOCC1 ZINC000182787969 396254515 /nfs/dbraw/zinc/25/45/15/396254515.db2.gz FWZSHVKZRUPCBM-FZMZJTMJSA-N 0 0 315.377 0.751 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000264111045 396255501 /nfs/dbraw/zinc/25/55/01/396255501.db2.gz ISFDQDOVDXOKCL-CYBMUJFWSA-N 0 0 302.378 0.752 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182911347 396256679 /nfs/dbraw/zinc/25/66/79/396256679.db2.gz PABSKZLCWGMDJT-STQMWFEESA-N 0 0 307.398 0.822 10 0 DCAERN CCCn1nnnc1CN1CCO[C@H](c2nnc(C(C)C)[nH]2)C1 ZINC000078892988 396257023 /nfs/dbraw/zinc/25/70/23/396257023.db2.gz DOBDMYJWXMOFAX-NSHDSACASA-N 0 0 320.401 0.898 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000183078427 396260659 /nfs/dbraw/zinc/26/06/59/396260659.db2.gz UQWOSSUEJBGEBP-AAEUAGOBSA-N 0 0 321.377 0.300 10 0 DCAERN Cn1nnc2cc(C(=O)NCc3ccc(CO)c(F)c3)cnc21 ZINC000183282227 396265494 /nfs/dbraw/zinc/26/54/94/396265494.db2.gz XIARNZYJVZFILX-UHFFFAOYSA-N 0 0 315.308 0.925 10 0 DCAERN Cc1noc(C2CCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C)CC2)n1 ZINC000282172431 396269023 /nfs/dbraw/zinc/26/90/23/396269023.db2.gz JSOLMLTVGPWVFU-CABZTGNLSA-N 0 0 321.381 0.934 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)NCCCn1ccnn1 ZINC000183557741 396271107 /nfs/dbraw/zinc/27/11/07/396271107.db2.gz NLUVTAKKGWMWBQ-UHFFFAOYSA-N 0 0 302.338 0.897 10 0 DCAERN CCS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183677363 396273265 /nfs/dbraw/zinc/27/32/65/396273265.db2.gz FEQYTLWBZKCCCM-GFCCVEGCSA-N 0 0 300.355 0.957 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183803915 396275585 /nfs/dbraw/zinc/27/55/85/396275585.db2.gz SJSIBDHDHZEVSS-CYBMUJFWSA-N 0 0 319.409 0.828 10 0 DCAERN COc1cc(N2CCN(C(=O)CC[C@@H]3CCOC3)CC2)ncn1 ZINC000183822333 396275866 /nfs/dbraw/zinc/27/58/66/396275866.db2.gz RRQHMHIAAZNIAW-CYBMUJFWSA-N 0 0 320.393 0.951 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1=O ZINC000183889916 396276426 /nfs/dbraw/zinc/27/64/26/396276426.db2.gz YAZRJNPUHCWUCS-LBPRGKRZSA-N 0 0 315.333 0.861 10 0 DCAERN Cn1cnn(CC(=O)NCc2ncc(-c3ccccc3)cn2)c1=O ZINC000183899487 396276976 /nfs/dbraw/zinc/27/69/76/396276976.db2.gz RCWYBDQCELGNRY-UHFFFAOYSA-N 0 0 324.344 0.355 10 0 DCAERN CC1(C)CCCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000077520588 396224771 /nfs/dbraw/zinc/22/47/71/396224771.db2.gz SZIJMJWCAAXXHF-LLVKDONJSA-N 0 0 303.428 0.994 10 0 DCAERN CC1(C)CCCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000077520591 396224792 /nfs/dbraw/zinc/22/47/92/396224792.db2.gz SZIJMJWCAAXXHF-NSHDSACASA-N 0 0 303.428 0.994 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179340242 396226135 /nfs/dbraw/zinc/22/61/35/396226135.db2.gz FCGVSGOTEJZIQE-GHMZBOCLSA-N 0 0 312.395 0.683 10 0 DCAERN CCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000077612382 396227115 /nfs/dbraw/zinc/22/71/15/396227115.db2.gz CPUIHBANYYCNRD-IUODEOHRSA-N 0 0 318.377 0.243 10 0 DCAERN O=C(NCCOc1ccc(F)cc1F)NC[C@]1(O)CCOC1 ZINC000179584300 396228374 /nfs/dbraw/zinc/22/83/74/396228374.db2.gz QFZQWYBGIBPLQD-CQSZACIVSA-N 0 0 316.304 0.794 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000179710847 396229080 /nfs/dbraw/zinc/22/90/80/396229080.db2.gz WMTINRJMEBUPKC-NXEZZACHSA-N 0 0 306.370 0.660 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180103304 396231247 /nfs/dbraw/zinc/23/12/47/396231247.db2.gz UOONLEJZGFUWFR-DZGCQCFKSA-N 0 0 310.419 0.983 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000184946614 396311795 /nfs/dbraw/zinc/31/17/95/396311795.db2.gz BXTASSWPKVMGEA-HNNXBMFYSA-N 0 0 302.334 0.994 10 0 DCAERN CN(CCN1CCOCC1)Cc1cc(-c2cnn(C)c2)no1 ZINC000184996198 396313290 /nfs/dbraw/zinc/31/32/90/396313290.db2.gz LQQFMRNMMDZVFJ-UHFFFAOYSA-N 0 0 305.382 0.839 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000185089765 396316894 /nfs/dbraw/zinc/31/68/94/396316894.db2.gz SWPRJQUTURSEJW-CYBMUJFWSA-N 0 0 312.341 0.012 10 0 DCAERN COc1cc(N2CCN([C@H](C)C(=O)N(C)C(C)C)CC2)ncn1 ZINC000184093152 396285682 /nfs/dbraw/zinc/28/56/82/396285682.db2.gz SUBGWMAVEHEVCQ-CYBMUJFWSA-N 0 0 321.425 0.863 10 0 DCAERN CN1CCO[C@H](CNc2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC000264506104 396286387 /nfs/dbraw/zinc/28/63/87/396286387.db2.gz KHMNWKRLXUVERU-ZIAGYGMSSA-N 0 0 321.425 0.428 10 0 DCAERN O=C(N1CCCN(c2ccccn2)CC1)[C@@]1(O)CCSC1 ZINC000184227595 396288539 /nfs/dbraw/zinc/28/85/39/396288539.db2.gz FTVTXLAAXWIECV-OAHLLOKOSA-N 0 0 307.419 0.988 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184336712 396291161 /nfs/dbraw/zinc/29/11/61/396291161.db2.gz YTCRTUYCUIWTRH-JTQLQIEISA-N 0 0 318.420 0.761 10 0 DCAERN CCN(C)S(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184335789 396291305 /nfs/dbraw/zinc/29/13/05/396291305.db2.gz OMVVXVGAMULSSY-UHFFFAOYSA-N 0 0 303.409 0.593 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCc1ccc(Cl)cc1 ZINC000185156341 396319817 /nfs/dbraw/zinc/31/98/17/396319817.db2.gz XSTOWHBULHRDRB-ZIAGYGMSSA-N 0 0 312.797 0.426 10 0 DCAERN COC(=O)CCCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000184344971 396292190 /nfs/dbraw/zinc/29/21/90/396292190.db2.gz FQVSRBOWBIDIKG-GFCCVEGCSA-N 0 0 306.366 0.905 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cnn(-c2ncccn2)c1 ZINC000081082377 396293661 /nfs/dbraw/zinc/29/36/61/396293661.db2.gz QIWCRGLKRMMXNF-JQWIXIFHSA-N 0 0 302.338 0.945 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184473535 396297158 /nfs/dbraw/zinc/29/71/58/396297158.db2.gz OCJHIHLAVVOILG-OAHLLOKOSA-N 0 0 308.382 0.738 10 0 DCAERN COCCCn1c(=O)[nH]nc1SCc1nc(N(C)C)no1 ZINC000184541235 396297656 /nfs/dbraw/zinc/29/76/56/396297656.db2.gz UFIIMRRIHAVCIT-UHFFFAOYSA-N 0 0 314.371 0.349 10 0 DCAERN COCCN1C[C@@H](C(=O)N(C)[C@@H](CO)CC(C)C)CC1=O ZINC000184628633 396300630 /nfs/dbraw/zinc/30/06/30/396300630.db2.gz SLOCQRKLNJGNFB-QWHCGFSZSA-N 0 0 300.399 0.347 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCO[C@@H]3CCOC3)cc21 ZINC000184864658 396308952 /nfs/dbraw/zinc/30/89/52/396308952.db2.gz CLDBTWFNCMMCFL-GFCCVEGCSA-N 0 0 304.350 0.894 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000185274428 396323588 /nfs/dbraw/zinc/32/35/88/396323588.db2.gz NNNSELYRTKQKCI-UHFFFAOYSA-N 0 0 314.288 0.875 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1nnc(-c2ccccc2)n1C ZINC000185502176 396329492 /nfs/dbraw/zinc/32/94/92/396329492.db2.gz GGBICQGTDXPKAA-CHWSQXEVSA-N 0 0 316.361 0.590 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)CCc2cccn2C)C1 ZINC000185538391 396329755 /nfs/dbraw/zinc/32/97/55/396329755.db2.gz XMQBGENXONVDGD-GFCCVEGCSA-N 0 0 322.409 0.503 10 0 DCAERN C[C@@H](O)c1nc2ccccc2n1Cc1nc(N)nc(N(C)C)n1 ZINC000185623829 396331895 /nfs/dbraw/zinc/33/18/95/396331895.db2.gz OVULZQIRVRMMCM-SECBINFHSA-N 0 0 313.365 0.971 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)NCC(F)(F)CO)C12CCOCC2 ZINC000185698716 396333413 /nfs/dbraw/zinc/33/34/13/396333413.db2.gz OTPPIQIOVJJDOF-QWRGUYRKSA-N 0 0 322.352 0.887 10 0 DCAERN CC[C@@](NC(=O)c1ccc2nnn(C)c2c1)(C(N)=O)C(C)C ZINC000185732234 396333834 /nfs/dbraw/zinc/33/38/34/396333834.db2.gz XZUAZLGIMAPXHJ-HNNXBMFYSA-N 0 0 303.366 0.988 10 0 DCAERN C[C@H](NCC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nn1 ZINC000185473949 396328569 /nfs/dbraw/zinc/32/85/69/396328569.db2.gz BPLNCXIECOMOMB-NSHDSACASA-N 0 0 314.349 0.470 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCS1(=O)=O ZINC000265698484 396337738 /nfs/dbraw/zinc/33/77/38/396337738.db2.gz PYVVIABEIAYXLV-SNVBAGLBSA-N 0 0 311.359 0.717 10 0 DCAERN COC(=O)CCCc1nc(CN2CCCC[C@@]2(C)C(N)=O)no1 ZINC000185968290 396338695 /nfs/dbraw/zinc/33/86/95/396338695.db2.gz NYACNMDBDIRMPX-HNNXBMFYSA-N 0 0 324.381 0.795 10 0 DCAERN O=C(c1cccc(-n2cccn2)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000186067424 396340531 /nfs/dbraw/zinc/34/05/31/396340531.db2.gz ZYODZEFLLACMKY-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000185768386 396334697 /nfs/dbraw/zinc/33/46/97/396334697.db2.gz UDFRUAYDZNFILZ-AYLIAGHASA-N 0 0 318.420 0.173 10 0 DCAERN CS(=O)(=O)CCCN1CCN(c2cccs2)C(=O)C1 ZINC000186065536 396340812 /nfs/dbraw/zinc/34/08/12/396340812.db2.gz KMUJRTZUUKFKIJ-UHFFFAOYSA-N 0 0 302.421 0.831 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cccs2)C(=O)C1 ZINC000186117069 396341721 /nfs/dbraw/zinc/34/17/21/396341721.db2.gz XUXWLYSFBCVQNN-JTQLQIEISA-N 0 0 324.406 0.631 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC1(CO)CCC1)CC2 ZINC000186763096 396357420 /nfs/dbraw/zinc/35/74/20/396357420.db2.gz NWJDPIFQCSLVSS-LLVKDONJSA-N 0 0 307.398 0.931 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000187029142 396362242 /nfs/dbraw/zinc/36/22/42/396362242.db2.gz FUIGJVDEUPASCH-ZIAGYGMSSA-N 0 0 320.393 0.973 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1cc(C)cc(C)c1 ZINC000187034971 396362525 /nfs/dbraw/zinc/36/25/25/396362525.db2.gz SITNRHKOKWXLNE-GXTWGEPZSA-N 0 0 304.346 0.770 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187238774 396365109 /nfs/dbraw/zinc/36/51/09/396365109.db2.gz BSQOWVSEQQHBNF-DTWKUNHWSA-N 0 0 317.349 0.351 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCN1CCO ZINC000187268433 396365710 /nfs/dbraw/zinc/36/57/10/396365710.db2.gz MRVTVCYKQYPLRX-LBPRGKRZSA-N 0 0 315.377 0.610 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)N[C@@H]3CCCOC3)CCO2)cn1 ZINC000268686858 396367758 /nfs/dbraw/zinc/36/77/58/396367758.db2.gz YRPMSFWOEFHDJK-HIFRSBDPSA-N 0 0 308.382 0.856 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187651489 396372244 /nfs/dbraw/zinc/37/22/44/396372244.db2.gz WOVWQOFMZWVESM-UHFFFAOYSA-N 0 0 310.398 0.069 10 0 DCAERN CC(C)C[C@H](CO)N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186458807 396350224 /nfs/dbraw/zinc/35/02/24/396350224.db2.gz UPFDEMVXACVZQD-SNVBAGLBSA-N 0 0 317.411 0.152 10 0 DCAERN COc1cc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1C ZINC000285506570 396350404 /nfs/dbraw/zinc/35/04/04/396350404.db2.gz MOHHLTYDWFQDNG-MRXNPFEDSA-N 0 0 306.362 0.385 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1ccccc1F ZINC000188486168 396382420 /nfs/dbraw/zinc/38/24/20/396382420.db2.gz QQKWFIRBEGKAEJ-TZMCWYRMSA-N 0 0 324.352 0.645 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000188494399 396383105 /nfs/dbraw/zinc/38/31/05/396383105.db2.gz CXTJCBYMAFQHNM-JTQLQIEISA-N 0 0 309.370 0.215 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN2CCC1CC2 ZINC000188629926 396383389 /nfs/dbraw/zinc/38/33/89/396383389.db2.gz UKPMJGCLVXROSF-GFCCVEGCSA-N 0 0 318.464 0.213 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1c(F)cccc1F ZINC000188673473 396384501 /nfs/dbraw/zinc/38/45/01/396384501.db2.gz CDRMDBKGEXHNPN-QMTHXVAHSA-N 0 0 312.316 0.605 10 0 DCAERN CCCCc1nnc(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)s1 ZINC000188714236 396384957 /nfs/dbraw/zinc/38/49/57/396384957.db2.gz SMWUUZMYROHLCM-NXEZZACHSA-N 0 0 312.395 0.801 10 0 DCAERN COc1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1OC ZINC000188809931 396387421 /nfs/dbraw/zinc/38/74/21/396387421.db2.gz ZTSWOIAWVPNIMH-LBPRGKRZSA-N 0 0 308.378 0.842 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188851668 396387873 /nfs/dbraw/zinc/38/78/73/396387873.db2.gz LEHXHVRMGDMXKI-LLVKDONJSA-N 0 0 324.402 0.831 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000188930634 396388800 /nfs/dbraw/zinc/38/88/00/396388800.db2.gz AUUSJDUEHJZRES-SSDOTTSWSA-N 0 0 302.281 0.372 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000286342826 396389312 /nfs/dbraw/zinc/38/93/12/396389312.db2.gz CFLGVPGLLDZPPB-SNVBAGLBSA-N 0 0 324.410 0.224 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000189145027 396390983 /nfs/dbraw/zinc/39/09/83/396390983.db2.gz MVOMXJPBDOPTQS-PSOPSSQASA-N 0 0 324.352 0.691 10 0 DCAERN COCCN1CCCN(C(=O)NCc2cscn2)CC1=O ZINC000189179154 396391213 /nfs/dbraw/zinc/39/12/13/396391213.db2.gz USABLASCXRLQJX-UHFFFAOYSA-N 0 0 312.395 0.533 10 0 DCAERN COc1ccnc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)n1 ZINC000189127449 396391349 /nfs/dbraw/zinc/39/13/49/396391349.db2.gz ZLRGYMHMXORNGS-SNVBAGLBSA-N 0 0 320.315 0.921 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189184550 396392351 /nfs/dbraw/zinc/39/23/51/396392351.db2.gz UENRTOUKAXXRCF-UHFFFAOYSA-N 0 0 301.416 0.427 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1nnc(C2CCC2)n1C ZINC000189602705 396396870 /nfs/dbraw/zinc/39/68/70/396396870.db2.gz LGVNWUQNRINNRO-WCQYABFASA-N 0 0 308.382 0.581 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189708077 396397721 /nfs/dbraw/zinc/39/77/21/396397721.db2.gz DVCOETLNJRTMIH-SNVBAGLBSA-N 0 0 320.397 0.253 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189720419 396397911 /nfs/dbraw/zinc/39/79/11/396397911.db2.gz RVEKVQAVPMKRDO-UHFFFAOYSA-N 0 0 307.398 0.673 10 0 DCAERN Cc1cc(N2CCN(C(=O)Cn3nnnc3C(C)C)CC2)n[nH]1 ZINC000189759441 396398319 /nfs/dbraw/zinc/39/83/19/396398319.db2.gz BPOBTUFOOFOZBA-UHFFFAOYSA-N 0 0 318.385 0.177 10 0 DCAERN CN1CCCN(C(=O)CCc2nc(-c3ccco3)no2)CC1=O ZINC000189748489 396398422 /nfs/dbraw/zinc/39/84/22/396398422.db2.gz DOQRQIMYQAJRAP-UHFFFAOYSA-N 0 0 318.333 0.953 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189837347 396400150 /nfs/dbraw/zinc/40/01/50/396400150.db2.gz NSANVCLGAVSPIY-UHFFFAOYSA-N 0 0 318.377 0.420 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCN(C)C(=O)C2)n1 ZINC000193108672 396444190 /nfs/dbraw/zinc/44/41/90/396444190.db2.gz QUJMRHBCNDKDCP-UHFFFAOYSA-N 0 0 310.379 0.506 10 0 DCAERN O=C(NC[C@H](O)Cc1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000190245143 396403361 /nfs/dbraw/zinc/40/33/61/396403361.db2.gz PDDNKGCIDANYIE-GFCCVEGCSA-N 0 0 324.340 0.652 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000190366101 396405870 /nfs/dbraw/zinc/40/58/70/396405870.db2.gz BCDOHGHYJPNMAE-UWVGGRQHSA-N 0 0 305.334 0.229 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCS(=O)(=O)[C@H](C)C1 ZINC000190587741 396408072 /nfs/dbraw/zinc/40/80/72/396408072.db2.gz IYDHLDQHUBYFSW-GFCCVEGCSA-N 0 0 311.469 0.710 10 0 DCAERN CCC(CC)NC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772319 396410833 /nfs/dbraw/zinc/41/08/33/396410833.db2.gz GDHAWICKERCJHK-ZDUSSCGKSA-N 0 0 313.442 0.860 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCC(C)CC2)CC1=O ZINC000190809697 396411883 /nfs/dbraw/zinc/41/18/83/396411883.db2.gz XBEYDQTXDZCWIV-UHFFFAOYSA-N 0 0 311.426 0.426 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NCC(=O)N1CCNC(=O)C1 ZINC000190903802 396412676 /nfs/dbraw/zinc/41/26/76/396412676.db2.gz HLTVUJUZAVYQBP-UHFFFAOYSA-N 0 0 313.361 0.551 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191044754 396414663 /nfs/dbraw/zinc/41/46/63/396414663.db2.gz XJYRHRKRDAOYKL-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCN3CCC2CC3)c1 ZINC000191094149 396415312 /nfs/dbraw/zinc/41/53/12/396415312.db2.gz ILHUGCWGKICDJE-UHFFFAOYSA-N 0 0 314.363 0.535 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCCN(C)C(=O)C2)c1 ZINC000191118407 396415819 /nfs/dbraw/zinc/41/58/19/396415819.db2.gz UZOQWAXKGNLBPO-OAHLLOKOSA-N 0 0 320.389 0.793 10 0 DCAERN CSC1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000191431308 396419769 /nfs/dbraw/zinc/41/97/69/396419769.db2.gz LHMRTIDAPRFIRE-LBPRGKRZSA-N 0 0 312.435 0.979 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CCN3CCO[C@H](C)C3)CCO2)n1 ZINC000191486896 396420288 /nfs/dbraw/zinc/42/02/88/396420288.db2.gz RTLIAZLJSHWNRJ-IAGOWNOFSA-N 0 0 322.453 0.921 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)[nH]1 ZINC000191517324 396420368 /nfs/dbraw/zinc/42/03/68/396420368.db2.gz QPBSQASDHWCPKZ-LBPRGKRZSA-N 0 0 307.398 0.404 10 0 DCAERN CCN1CN(C[C@@H](O)COCc2ccc(OC)cc2)CC1=O ZINC000191530406 396421236 /nfs/dbraw/zinc/42/12/36/396421236.db2.gz UPHNLAYWJGXXTP-CQSZACIVSA-N 0 0 308.378 0.694 10 0 DCAERN CCOc1ccc(OC[C@H](O)CN2CC(=O)N(CC)C2)cc1 ZINC000191547979 396421494 /nfs/dbraw/zinc/42/14/94/396421494.db2.gz KVQIXPCSSXWGPO-CYBMUJFWSA-N 0 0 308.378 0.947 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOc1ccccc1C ZINC000193170183 396445798 /nfs/dbraw/zinc/44/57/98/396445798.db2.gz CPDUKTTWKBPNIY-HUUCEWRRSA-N 0 0 320.389 0.862 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)c3nnnn3C3CC3)CC2)n[nH]1 ZINC000192216031 396430725 /nfs/dbraw/zinc/43/07/25/396430725.db2.gz RQDXDYDFLKCJNM-NSHDSACASA-N 0 0 302.386 0.923 10 0 DCAERN CCc1ccc(CNC(=O)C2=NN(CCO)C(=O)CC2)cc1 ZINC000192764776 396437605 /nfs/dbraw/zinc/43/76/05/396437605.db2.gz IXPFDZVFQMYQSJ-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN COC(=O)CC1(NS(=O)(=O)c2cnn(C)c2)CCCC1 ZINC000193016791 396442517 /nfs/dbraw/zinc/44/25/17/396442517.db2.gz ZWIVOZJIMAQGOX-UHFFFAOYSA-N 0 0 301.368 0.574 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000188078760 396378599 /nfs/dbraw/zinc/37/85/99/396378599.db2.gz RDJGLQWCTAYEBR-CYBMUJFWSA-N 0 0 317.389 0.969 10 0 DCAERN CCn1ncnc1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407755 396450519 /nfs/dbraw/zinc/45/05/19/396450519.db2.gz BOGONQVSVDIYOS-LBPRGKRZSA-N 0 0 313.427 0.298 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCO[C@H](CO)C1 ZINC000270113526 396461577 /nfs/dbraw/zinc/46/15/77/396461577.db2.gz ZZWCLQWMVARCNP-OLZOCXBDSA-N 0 0 306.366 0.063 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cn[nH]c1 ZINC000270327545 396464613 /nfs/dbraw/zinc/46/46/13/396464613.db2.gz LQMPBADZHNXXPG-DYEKYZERSA-N 0 0 307.398 0.833 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000371550012 396469976 /nfs/dbraw/zinc/46/99/76/396469976.db2.gz BSMFLTZSYNZUIM-FVCCEPFGSA-N 0 0 311.382 0.195 10 0 DCAERN O=C(c1cccc(-n2ccnn2)c1)N1CCN2CCOC[C@H]2C1 ZINC000371790072 396476782 /nfs/dbraw/zinc/47/67/82/396476782.db2.gz VIJDKIHVQCHKAR-OAHLLOKOSA-N 0 0 313.361 0.424 10 0 DCAERN FC(F)c1nnc2ccc(N3CCN4CCOC[C@@H]4C3)nn21 ZINC000371803096 396477342 /nfs/dbraw/zinc/47/73/42/396477342.db2.gz OHMQVMVIFBTKMB-VIFPVBQESA-N 0 0 310.308 0.583 10 0 DCAERN O=C(Nc1cccnc1Cl)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371828013 396477897 /nfs/dbraw/zinc/47/78/97/396477897.db2.gz CGSWCFGLNPWAMC-SNVBAGLBSA-N 0 0 324.768 0.217 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371829701 396478255 /nfs/dbraw/zinc/47/82/55/396478255.db2.gz VMCBEDVMUVBIPY-AWEZNQCLSA-N 0 0 303.362 0.477 10 0 DCAERN O=C(C(=O)N1CCN2CCOC[C@H]2C1)c1ccc2c(c1)CCC2 ZINC000371868473 396479102 /nfs/dbraw/zinc/47/91/02/396479102.db2.gz ARIBTIFUWNEDBG-MRXNPFEDSA-N 0 0 314.385 0.901 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)C1(C)C ZINC000371983254 396481696 /nfs/dbraw/zinc/48/16/96/396481696.db2.gz FXAYFSIGEVKHBW-XJFOESAGSA-N 0 0 311.426 0.772 10 0 DCAERN O=C(NC[C@@H]1CSCCS1)N1CCN2CCOC[C@@H]2C1 ZINC000371987158 396481806 /nfs/dbraw/zinc/48/18/06/396481806.db2.gz VIUOXNHIJCEPHF-NWDGAFQWSA-N 0 0 317.480 0.561 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)C(=O)Nc1cccc2c1OCCC2 ZINC000372000907 396481920 /nfs/dbraw/zinc/48/19/20/396481920.db2.gz APFWVZKKIGWLIC-CYBMUJFWSA-N 0 0 304.346 0.837 10 0 DCAERN COCCNC(=O)CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372432421 396517155 /nfs/dbraw/zinc/51/71/55/396517155.db2.gz VAEUNQBNOABUJL-NSHDSACASA-N 0 0 322.409 0.517 10 0 DCAERN COCCNC(=O)CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372432420 396517478 /nfs/dbraw/zinc/51/74/78/396517478.db2.gz VAEUNQBNOABUJL-LLVKDONJSA-N 0 0 322.409 0.517 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511338 396523338 /nfs/dbraw/zinc/52/33/38/396523338.db2.gz DXEDOKFYZKOJAE-CMPLNLGQSA-N 0 0 301.362 0.550 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1C[C@@H](F)C[C@H]1CO ZINC000372509909 396523358 /nfs/dbraw/zinc/52/33/58/396523358.db2.gz ZBRNUIKRSIBXJL-JQWIXIFHSA-N 0 0 301.362 0.550 10 0 DCAERN COc1cc(C)c(C(=O)Nc2cnn(CC(N)=O)c2)cc1OC ZINC000530785699 396584499 /nfs/dbraw/zinc/58/44/99/396584499.db2.gz MYAQEEDMYZZDBB-UHFFFAOYSA-N 0 0 318.333 0.946 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCC(O)(C1CC1)C1CC1 ZINC000594866146 396531779 /nfs/dbraw/zinc/53/17/79/396531779.db2.gz OBMOCRUSKWDTNG-UHFFFAOYSA-N 0 0 305.396 0.410 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@](C)(OC)C3CC3)CC2)n1 ZINC000292188951 396535403 /nfs/dbraw/zinc/53/54/03/396535403.db2.gz BPBCXQVFCMXKOV-MRXNPFEDSA-N 0 0 320.393 0.949 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000372983127 396558630 /nfs/dbraw/zinc/55/86/30/396558630.db2.gz QTLOCMZLEMMFFH-TUAOUCFPSA-N 0 0 304.412 0.327 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000373051689 396562306 /nfs/dbraw/zinc/56/23/06/396562306.db2.gz LLAYECMCDPCJTG-OLZOCXBDSA-N 0 0 308.378 0.596 10 0 DCAERN CCOCCN(C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000373162438 396571300 /nfs/dbraw/zinc/57/13/00/396571300.db2.gz BHPNFMZRAMQAFX-CYBMUJFWSA-N 0 0 313.398 0.444 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000374190611 396645404 /nfs/dbraw/zinc/64/54/04/396645404.db2.gz TUVZRHHGVGCTSY-QKGCVVFFSA-N 0 0 320.437 0.874 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCC[C@@]2(C)CO)[nH]n1 ZINC000562272509 396654906 /nfs/dbraw/zinc/65/49/06/396654906.db2.gz ZSBIFGMJRSVMOU-BMIGLBTASA-N 0 0 308.382 0.139 10 0 DCAERN COC(=O)CCCCCNS(=O)(=O)c1cnn(C)c1C ZINC000293173614 396591650 /nfs/dbraw/zinc/59/16/50/396591650.db2.gz YCJHBGHOHQIPNM-UHFFFAOYSA-N 0 0 303.384 0.740 10 0 DCAERN O=C(C(=O)N1CCO[C@@H](C2CC2)C1)N1CCO[C@@H](C2CC2)C1 ZINC000581919693 396592869 /nfs/dbraw/zinc/59/28/69/396592869.db2.gz PQNHIIKQFSRKOL-ZIAGYGMSSA-N 0 0 308.378 0.261 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(OC)CCCC1 ZINC000581919989 396593074 /nfs/dbraw/zinc/59/30/74/396593074.db2.gz XZAYEGJNFXDCGD-QWRGUYRKSA-N 0 0 314.382 0.518 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC[C@H]1O ZINC000373546151 396598549 /nfs/dbraw/zinc/59/85/49/396598549.db2.gz XOVTVENUBFAVQY-KGYLQXTDSA-N 0 0 312.435 0.917 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373754635 396612375 /nfs/dbraw/zinc/61/23/75/396612375.db2.gz QQYNQLPRJJXCKN-GHMZBOCLSA-N 0 0 309.366 0.535 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCC(CO)CC1 ZINC000560981677 396627681 /nfs/dbraw/zinc/62/76/81/396627681.db2.gz HEZPBQPWADCKBA-UHFFFAOYSA-N 0 0 302.334 0.504 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cc(C)n(CC(=O)NC)n2)C1=O ZINC000561039289 396628447 /nfs/dbraw/zinc/62/84/47/396628447.db2.gz JLSXVDVNYNEBLO-LWTINBJPSA-N 0 0 305.338 0.329 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H](CO)c2ccccc21 ZINC000293816215 396634764 /nfs/dbraw/zinc/63/47/64/396634764.db2.gz DXXZUKKYKVNFRQ-TYNCELHUSA-N 0 0 304.346 0.091 10 0 DCAERN Cc1cc(CCNC(=O)NCCC(=O)N2CCOCC2)on1 ZINC000561479143 396642019 /nfs/dbraw/zinc/64/20/19/396642019.db2.gz CCLSSGQNSFUNGZ-UHFFFAOYSA-N 0 0 310.354 0.074 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC000374436699 396664111 /nfs/dbraw/zinc/66/41/11/396664111.db2.gz LFDOVVADLKDWKH-WDEREUQCSA-N 0 0 308.338 0.371 10 0 DCAERN CC(C)(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000562454739 396665481 /nfs/dbraw/zinc/66/54/81/396665481.db2.gz PRGQGAOZEIVLTC-LLVKDONJSA-N 0 0 304.350 0.796 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000374753889 396685056 /nfs/dbraw/zinc/68/50/56/396685056.db2.gz UOHWKEMGCYDQAY-GJZGRUSLSA-N 0 0 306.362 0.083 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1=O ZINC000374957034 396700998 /nfs/dbraw/zinc/70/09/98/396700998.db2.gz VNWOGIHELHYESD-KBPBESRZSA-N 0 0 324.421 0.899 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCOCC[C@@H]2C)o1 ZINC000374990627 396703048 /nfs/dbraw/zinc/70/30/48/396703048.db2.gz USPWUVVEFUXDCQ-VIFPVBQESA-N 0 0 303.336 0.866 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)ccc1F ZINC000563104963 396703290 /nfs/dbraw/zinc/70/32/90/396703290.db2.gz KFQPBDZQGMOVIP-UHFFFAOYSA-N 0 0 321.308 0.301 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N1CCO[C@]2(CCOC2)C1 ZINC000375114451 396712696 /nfs/dbraw/zinc/71/26/96/396712696.db2.gz MGFOLNNFLDDFIK-UKRRQHHQSA-N 0 0 314.382 0.383 10 0 DCAERN O=C(N1CCC[C@H]2C(=O)NC[C@H]21)C(F)(F)C1(O)CCCC1 ZINC000299740967 396713427 /nfs/dbraw/zinc/71/34/27/396713427.db2.gz CNGNTMWJNVGDPZ-NXEZZACHSA-N 0 0 302.321 0.664 10 0 DCAERN O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)[C@H]1COCCO1 ZINC000589453362 396715480 /nfs/dbraw/zinc/71/54/80/396715480.db2.gz JGZIVUJMTNHVBH-QWHCGFSZSA-N 0 0 322.386 0.942 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240992 396721111 /nfs/dbraw/zinc/72/11/11/396721111.db2.gz JRWQCMBSOSQZHL-INIZCTEOSA-N 0 0 307.438 0.936 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2ncccc2C(=O)NC)C1 ZINC000302577596 396721437 /nfs/dbraw/zinc/72/14/37/396721437.db2.gz SDVYVDAIAPJYAK-UHFFFAOYSA-N 0 0 312.395 0.135 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595763996 396659245 /nfs/dbraw/zinc/65/92/45/396659245.db2.gz RVXKYLFCCPKFLR-GHMZBOCLSA-N 0 0 306.428 0.682 10 0 DCAERN C=Cc1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000629532329 396778026 /nfs/dbraw/zinc/77/80/26/396778026.db2.gz VOAUYJKIHISYQC-UHFFFAOYSA-N 0 0 309.391 0.550 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1 ZINC000617713298 396785637 /nfs/dbraw/zinc/78/56/37/396785637.db2.gz KLZQLLPMXHRBEV-INIZCTEOSA-N 0 0 307.346 0.787 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C ZINC000617501753 396741708 /nfs/dbraw/zinc/74/17/08/396741708.db2.gz WULOITXXBNPRKO-UKRRQHHQSA-N 0 0 317.389 0.851 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000633987785 396763787 /nfs/dbraw/zinc/76/37/87/396763787.db2.gz HUTMEWWUMPREPX-ZJUUUORDSA-N 0 0 319.287 0.509 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000312314649 396763995 /nfs/dbraw/zinc/76/39/95/396763995.db2.gz QSMUUZDKEWYWPD-GFCCVEGCSA-N 0 0 318.782 0.259 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NCCOCC1CCC1 ZINC000563661134 396767593 /nfs/dbraw/zinc/76/75/93/396767593.db2.gz VOGXTBHZHKIEMF-NSHDSACASA-N 0 0 306.428 0.926 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCOCC[C@H]2C)ccc1=O ZINC000375527344 396767947 /nfs/dbraw/zinc/76/79/47/396767947.db2.gz XQGITMBIJSKNNZ-LLVKDONJSA-N 0 0 307.350 0.444 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000375532338 396768023 /nfs/dbraw/zinc/76/80/23/396768023.db2.gz FOCDZKLICUSDEO-SECBINFHSA-N 0 0 323.324 0.501 10 0 DCAERN Cn1cc(Br)c(C(=O)NCC[C@@H](O)C(F)F)n1 ZINC000634001756 396768554 /nfs/dbraw/zinc/76/85/54/396768554.db2.gz LWTHGIBXHINGLC-ZCFIWIBFSA-N 0 0 312.114 0.929 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)CC(=O)N(C)CC1CC1 ZINC000610827902 396768664 /nfs/dbraw/zinc/76/86/64/396768664.db2.gz ANXFRHQLSYWCRP-CYBMUJFWSA-N 0 0 300.399 0.753 10 0 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SYCIOEGRVXSSBU-KRWDZBQOSA-N 0 0 318.373 0.736 10 0 DCAERN O=C(CN1CCOCC1=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000564706025 396858523 /nfs/dbraw/zinc/85/85/23/396858523.db2.gz KDOTVMCZJJTBPU-UHFFFAOYSA-N 0 0 318.329 0.379 10 0 DCAERN CC[C@@H](CSC)NC(=O)NCCCN1CCCS1(=O)=O ZINC000611373122 396860034 /nfs/dbraw/zinc/86/00/34/396860034.db2.gz UKTOXWHXAARXNB-NSHDSACASA-N 0 0 323.484 0.853 10 0 DCAERN NC(=O)C1(O)CCN(Cc2ccncc2Br)CC1 ZINC000625400340 396860567 /nfs/dbraw/zinc/86/05/67/396860567.db2.gz IFMGOGXHIONIOY-UHFFFAOYSA-N 0 0 314.183 0.656 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)COCCc2ccccc2)C1 ZINC000375732559 396808035 /nfs/dbraw/zinc/80/80/35/396808035.db2.gz JMIHGCXYHOZXBK-MRXNPFEDSA-N 0 0 306.362 0.085 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)COCCc2ccccc2)C1 ZINC000375732554 396808223 /nfs/dbraw/zinc/80/82/23/396808223.db2.gz JMIHGCXYHOZXBK-INIZCTEOSA-N 0 0 306.362 0.085 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC2(CO)CC2)c(C)c1 ZINC000611024700 396808380 /nfs/dbraw/zinc/80/83/80/396808380.db2.gz OAJNWVXFRWGNTK-UHFFFAOYSA-N 0 0 313.375 0.832 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000634235091 396817488 /nfs/dbraw/zinc/81/74/88/396817488.db2.gz BUDLQYNCYHELJF-DMDPSCGWSA-N 0 0 322.327 0.874 10 0 DCAERN COC(=O)c1nn(CCCN2C(=O)CNC2=O)c2c1CCCC2 ZINC000611495588 396875492 /nfs/dbraw/zinc/87/54/92/396875492.db2.gz BWRVKLDDWHFQPD-UHFFFAOYSA-N 0 0 320.349 0.490 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cscn2)C(C)(C)C1 ZINC000564914006 396897250 /nfs/dbraw/zinc/89/72/50/396897250.db2.gz RAXJFKCIFOQDDZ-UHFFFAOYSA-N 0 0 303.409 0.775 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccnc(C)c1 ZINC000625512460 396904606 /nfs/dbraw/zinc/90/46/06/396904606.db2.gz CZKOHYKWERQFMQ-UHFFFAOYSA-N 0 0 320.393 0.560 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)CC(C)(C)O)[C@@H]1c1cnn(C)c1 ZINC000618145479 396911435 /nfs/dbraw/zinc/91/14/35/396911435.db2.gz OVEKHTQXBMTSGE-ZFWWWQNUSA-N 0 0 324.425 0.459 10 0 DCAERN O=S(=O)(N[C@@H](CO)C1CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333090281 396917489 /nfs/dbraw/zinc/91/74/89/396917489.db2.gz AUTMZGZHDFYCPS-VZZFWQQMSA-N 0 0 303.424 0.882 10 0 DCAERN O=C1CO[C@@H]2CCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@H]2N1 ZINC000333218859 396920026 /nfs/dbraw/zinc/92/00/26/396920026.db2.gz WBWNPQSOPPMYQG-NZEXEKPDSA-N 0 0 314.407 0.094 10 0 DCAERN Cc1nnsc1CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000333001254 396914553 /nfs/dbraw/zinc/91/45/53/396914553.db2.gz USFFVPGCWNRQAG-WDEREUQCSA-N 0 0 311.411 0.461 10 0 DCAERN Cn1ccc(N2CCC[C@@H](N3CCc4cncnc4C3)C2=O)n1 ZINC000333571881 396928381 /nfs/dbraw/zinc/92/83/81/396928381.db2.gz UGTQNYRFYAWHTP-CQSZACIVSA-N 0 0 312.377 0.764 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2nnnn2CC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333897444 396934693 /nfs/dbraw/zinc/93/46/93/396934693.db2.gz YMOFOROIVDYXJP-WRWGMCAJSA-N 0 0 311.411 0.486 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cc(F)ccc1Cl ZINC000625595891 396941588 /nfs/dbraw/zinc/94/15/88/396941588.db2.gz ZCLCPIHJYRILSQ-VHSXEESVSA-N 0 0 309.746 0.907 10 0 DCAERN CCOC(=O)C1(O)CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000611917927 396947451 /nfs/dbraw/zinc/94/74/51/396947451.db2.gz NXNOSFIHSGTVEU-UHFFFAOYSA-N 0 0 322.409 0.973 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)s1 ZINC000611935561 396951252 /nfs/dbraw/zinc/95/12/52/396951252.db2.gz WFNFYXXEPLYSSR-UHFFFAOYSA-N 0 0 316.364 0.142 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H](C(N)=O)O1 ZINC000625735633 396990580 /nfs/dbraw/zinc/99/05/80/396990580.db2.gz HHDDRCOKFIKFIX-VJTDZRGJSA-N 0 0 311.426 0.502 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)CCN1S(C)(=O)=O ZINC000618677823 397011787 /nfs/dbraw/zinc/01/17/87/397011787.db2.gz ZELCYPZPQFBVFP-YPMHNXCESA-N 0 0 304.412 0.295 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000377010304 397012844 /nfs/dbraw/zinc/01/28/44/397012844.db2.gz SCKYFUUADNSMCZ-LLVKDONJSA-N 0 0 322.413 0.966 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000377050525 397021178 /nfs/dbraw/zinc/02/11/78/397021178.db2.gz ZOSDMIQMHLHOIE-LBPRGKRZSA-N 0 0 312.366 0.037 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cccc1 ZINC000618753805 397022431 /nfs/dbraw/zinc/02/24/31/397022431.db2.gz WGGQKOOOEDDOBC-VXGBXAGGSA-N 0 0 309.366 0.451 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)OCC1CC1 ZINC000618754164 397023100 /nfs/dbraw/zinc/02/31/00/397023100.db2.gz FLCJRRFGNDDXAC-VWYCJHECSA-N 0 0 314.382 0.374 10 0 DCAERN CCC[C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000618795094 397025709 /nfs/dbraw/zinc/02/57/09/397025709.db2.gz BFSLFCSNSLHHMU-GARJFASQSA-N 0 0 301.387 0.931 10 0 DCAERN CCOC(=O)CCC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000597884858 397127015 /nfs/dbraw/zinc/12/70/15/397127015.db2.gz DQUGZWNCYWZBNE-UHFFFAOYSA-N 0 0 305.396 0.661 10 0 DCAERN COC(=O)c1cc(C(=O)NC[C@H](C)N2CCCCC2=O)on1 ZINC000619445431 397130616 /nfs/dbraw/zinc/13/06/16/397130616.db2.gz VQXCZKGUNBPFNZ-VIFPVBQESA-N 0 0 309.322 0.592 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1C[C@H](O)COC[C@H]1CCCO1 ZINC000619515171 397144427 /nfs/dbraw/zinc/14/44/27/397144427.db2.gz RHYBNZKGUKPPRO-RVMXOQNASA-N 0 0 305.346 0.128 10 0 DCAERN O=S(=O)(CCOc1ccccc1)N1CC(n2ccnn2)C1 ZINC000377851130 397154005 /nfs/dbraw/zinc/15/40/05/397154005.db2.gz IPGNVILASKDTIT-UHFFFAOYSA-N 0 0 308.363 0.544 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H]2CCC[C@H](O)C2)CC1=O ZINC000378017850 397179272 /nfs/dbraw/zinc/17/92/72/397179272.db2.gz JQZGHLGARFOGTQ-BJJPWKGXSA-N 0 0 309.410 0.846 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)Cc2cnnn2C)c2ccccc21 ZINC000613018312 397179807 /nfs/dbraw/zinc/17/98/07/397179807.db2.gz NONCSJCGAOXHEX-AWEZNQCLSA-N 0 0 313.361 0.972 10 0 DCAERN CCN1CC[C@H](NC(=O)NCC2(C(=O)OC)CCCC2)C1=O ZINC000619800735 397195181 /nfs/dbraw/zinc/19/51/81/397195181.db2.gz MHXKYCVEWQFKNP-NSHDSACASA-N 0 0 311.382 0.640 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)C1=O ZINC000619803355 397196404 /nfs/dbraw/zinc/19/64/04/397196404.db2.gz ZXMZHITUHYGMOO-JYDZCJNKSA-N 0 0 301.412 0.158 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1F ZINC000364429629 397200948 /nfs/dbraw/zinc/20/09/48/397200948.db2.gz WNSGFRTUWCKBQD-UHFFFAOYSA-N 0 0 312.326 0.671 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCOCC1CCC1 ZINC000613201114 397216924 /nfs/dbraw/zinc/21/69/24/397216924.db2.gz CXNYHUVSVAJDRO-UHFFFAOYSA-N 0 0 308.400 0.132 10 0 DCAERN NC(=O)[C@]1(NC(=O)c2c(Cl)nc3ccccn32)CCCOC1 ZINC000378294728 397225189 /nfs/dbraw/zinc/22/51/89/397225189.db2.gz OFPLDMCPLUZAIF-AWEZNQCLSA-N 0 0 322.752 0.752 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H](F)C[C@@H]1CO ZINC000364601064 397225304 /nfs/dbraw/zinc/22/53/04/397225304.db2.gz CNOJXAQOBJOLJP-QJPTWQEYSA-N 0 0 310.325 0.559 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2cc(OC)ccc2F)CCO1 ZINC000364682103 397233964 /nfs/dbraw/zinc/23/39/64/397233964.db2.gz MVGWCLVSALZHIT-LBPRGKRZSA-N 0 0 311.313 0.813 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCOCC[C@H]2C)c1 ZINC000378426099 397238913 /nfs/dbraw/zinc/23/89/13/397238913.db2.gz HAFQBMFPWJBCHK-SECBINFHSA-N 0 0 303.336 0.866 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CCN(c2ccc(F)cn2)CC1 ZINC000378436550 397239774 /nfs/dbraw/zinc/23/97/74/397239774.db2.gz ZXZIYLUJSKQQJU-GFCCVEGCSA-N 0 0 315.370 0.461 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000364771164 397245103 /nfs/dbraw/zinc/24/51/03/397245103.db2.gz MTXBDAZQDPBADQ-KPWVOAKYSA-N 0 0 324.402 1.000 10 0 DCAERN CCOC(=O)c1cc(C(=O)NC[C@@H](C)S(C)(=O)=O)on1 ZINC000598538314 397246470 /nfs/dbraw/zinc/24/64/70/397246470.db2.gz AHGWNCBCRLFYFA-SSDOTTSWSA-N 0 0 304.324 0.014 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC(CO)C1 ZINC000620886716 397314871 /nfs/dbraw/zinc/31/48/71/397314871.db2.gz GKHZHXZETHGHDC-MCIGGMRASA-N 0 0 304.412 0.078 10 0 DCAERN CCS(=O)(=O)NCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000407951458 397333559 /nfs/dbraw/zinc/33/35/59/397333559.db2.gz VEJGEAYKRSJEDB-SECBINFHSA-N 0 0 304.334 0.315 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407955319 397335599 /nfs/dbraw/zinc/33/55/99/397335599.db2.gz HSDVXABUGDOLJZ-LLVKDONJSA-N 0 0 301.412 0.270 10 0 DCAERN CCOc1ncnc2c1CN(C(=O)[C@@H](O)c1cccnc1)CC2 ZINC000365937427 397335713 /nfs/dbraw/zinc/33/57/13/397335713.db2.gz OQYXLHICDYPRQL-AWEZNQCLSA-N 0 0 314.345 0.889 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)s1 ZINC000407956766 397335848 /nfs/dbraw/zinc/33/58/48/397335848.db2.gz LMOCWDVYVYYLLR-UHFFFAOYSA-N 0 0 315.420 0.755 10 0 DCAERN COc1ncc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)n1 ZINC000407959485 397336808 /nfs/dbraw/zinc/33/68/08/397336808.db2.gz UTEGZKOPYUXFJS-JTQLQIEISA-N 0 0 314.411 0.259 10 0 DCAERN O=C1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCN1C1CC1 ZINC000407959140 397337220 /nfs/dbraw/zinc/33/72/20/397337220.db2.gz SRMGAKWSSIKCMO-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC(=O)NC1 ZINC000407960471 397338119 /nfs/dbraw/zinc/33/81/19/397338119.db2.gz WDOINYABRJYRGJ-RYUDHWBXSA-N 0 0 308.300 0.819 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000407967705 397340808 /nfs/dbraw/zinc/34/08/08/397340808.db2.gz QYLHRTKILXIHPB-SNVBAGLBSA-N 0 0 310.398 0.306 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000366152073 397343070 /nfs/dbraw/zinc/34/30/70/397343070.db2.gz PKLHFAXWXFIIGK-ZDUSSCGKSA-N 0 0 310.394 0.843 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)CC2CCCCC2)[C@@H]1C(N)=O ZINC000408032246 397345098 /nfs/dbraw/zinc/34/50/98/397345098.db2.gz UGQAUTITJMBXTC-PWSUYJOCSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189767 397349543 /nfs/dbraw/zinc/34/95/43/397349543.db2.gz PTVZQTKLMUIBRP-UFBFGSQYSA-N 0 0 323.315 0.752 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N(CCO)[C@@H]1CCCSC1 ZINC000408224740 397350291 /nfs/dbraw/zinc/35/02/91/397350291.db2.gz HZPNAMSSERZELK-NEPJUHHUSA-N 0 0 309.453 0.685 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408353397 397355020 /nfs/dbraw/zinc/35/50/20/397355020.db2.gz BBAYLVSAFMTOKG-MELADBBJSA-N 0 0 320.455 0.946 10 0 DCAERN CC1(C)CN(C(=O)NCCc2cnccn2)C[C@]2(CCOC2)O1 ZINC000366279801 397361798 /nfs/dbraw/zinc/36/17/98/397361798.db2.gz KWXXCULCTSSKHB-INIZCTEOSA-N 0 0 320.393 0.999 10 0 DCAERN COc1nc(C)nc(N2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)c1C ZINC000621336949 397378660 /nfs/dbraw/zinc/37/86/60/397378660.db2.gz FJSRZYDHAIASJG-CMPLNLGQSA-N 0 0 304.354 0.839 10 0 DCAERN Cc1cccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000365815828 397320264 /nfs/dbraw/zinc/32/02/64/397320264.db2.gz LEUQZRLEKYPFPP-AWEZNQCLSA-N 0 0 303.362 0.900 10 0 DCAERN C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc3nccn3c2)CCN1C ZINC000578422398 397432696 /nfs/dbraw/zinc/43/26/96/397432696.db2.gz TYRWRSPRIPCBMB-VXGBXAGGSA-N 0 0 315.377 0.824 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000370174197 397451847 /nfs/dbraw/zinc/45/18/47/397451847.db2.gz HIRMFDSJUAKHNL-MNOVXSKESA-N 0 0 320.397 0.595 10 0 DCAERN Cc1ccc(N2N=C(C(=O)N3CC[C@](C)(O)C3)NCC2=O)cc1 ZINC000370302175 397466815 /nfs/dbraw/zinc/46/68/15/397466815.db2.gz VJCNFJPGSDUUBZ-INIZCTEOSA-N 0 0 316.361 0.228 10 0 DCAERN CO[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)C[C@@H]1OC ZINC000488032127 397483843 /nfs/dbraw/zinc/48/38/43/397483843.db2.gz NCZSGPIMMQIRJT-PHIMTYICSA-N 0 0 311.407 0.916 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(SC)CC1 ZINC000488336603 397490815 /nfs/dbraw/zinc/49/08/15/397490815.db2.gz ZUHASWYTLBIAOV-BDAKNGLRSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C)cn1 ZINC000488573377 397494674 /nfs/dbraw/zinc/49/46/74/397494674.db2.gz NWAGEDNDVIXTAI-MNOVXSKESA-N 0 0 322.365 0.968 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)=O)o1 ZINC000488148488 397486992 /nfs/dbraw/zinc/48/69/92/397486992.db2.gz KDAGNBSRYFANLN-BDAKNGLRSA-N 0 0 324.333 0.668 10 0 DCAERN COC[C@H](C)OC[C@@H](O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000579579752 397581223 /nfs/dbraw/zinc/58/12/23/397581223.db2.gz BGJQNZHJPNKZET-IHRRRGAJSA-N 0 0 303.399 0.815 10 0 DCAERN NC(=O)CCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000371018936 397532752 /nfs/dbraw/zinc/53/27/52/397532752.db2.gz OZXVLTCZOYOZFJ-ZDUSSCGKSA-N 0 0 313.361 0.590 10 0 DCAERN CN(CC(=O)N[C@@H]1CCN(C(N)=O)C1)c1ccc(Cl)cn1 ZINC000603893002 397626064 /nfs/dbraw/zinc/62/60/64/397626064.db2.gz CTUYMGMQVAEPKZ-SNVBAGLBSA-N 0 0 311.773 0.440 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@H](C)n3cccn3)CC2)[nH]1 ZINC000605527594 397666975 /nfs/dbraw/zinc/66/69/75/397666975.db2.gz XSKHDAWTKPVRAR-NSHDSACASA-N 0 0 303.370 0.215 10 0 DCAERN CN(CC(=O)N(C)[C@@H]1CCN(C)C1=O)c1ccc(Cl)cn1 ZINC000606407907 397680714 /nfs/dbraw/zinc/68/07/14/397680714.db2.gz ZQXBULJRYFQYDD-LLVKDONJSA-N 0 0 310.785 0.860 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1nnc2n1CCCCC2 ZINC000606481172 397682254 /nfs/dbraw/zinc/68/22/54/397682254.db2.gz ICVPYVWTXSNDOW-WDEREUQCSA-N 0 0 320.397 0.595 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2nnc3ccccn32)CCC1=O ZINC000606479281 397682529 /nfs/dbraw/zinc/68/25/29/397682529.db2.gz QGMLHENBDSQABO-JTQLQIEISA-N 0 0 302.338 0.149 10 0 DCAERN CCN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)N(C)C ZINC000607732408 397705088 /nfs/dbraw/zinc/70/50/88/397705088.db2.gz DDLKLLHACCFFCT-UHFFFAOYSA-N 0 0 307.350 0.764 10 0 DCAERN COC1CCN(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000408283348 292162432 /nfs/dbraw/zinc/16/24/32/292162432.db2.gz JFIVIJTYGVSKPV-UHFFFAOYSA-N 0 0 319.427 0.185 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267709800 304368823 /nfs/dbraw/zinc/36/88/23/304368823.db2.gz QUCVNUQUMVJKAX-RYUDHWBXSA-N 0 0 317.393 0.804 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@]12CCCO2 ZINC000332849143 286373577 /nfs/dbraw/zinc/37/35/77/286373577.db2.gz RJHGIXBPJMEETO-QHUBEEEXSA-N 0 0 312.366 0.912 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)CN2CCCC2=O)C12CCOCC2 ZINC000187076823 286526265 /nfs/dbraw/zinc/52/62/65/286526265.db2.gz KPCZPKVZTXXHAC-STQMWFEESA-N 0 0 310.394 0.699 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000046617111 158001859 /nfs/dbraw/zinc/00/18/59/158001859.db2.gz KEIFINWWOGZLJA-AWEZNQCLSA-N 0 0 319.409 0.860 10 0 DCAERN C[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(=O)N(C)C ZINC000046943262 158002885 /nfs/dbraw/zinc/00/28/85/158002885.db2.gz OVCKGEZNPKEWEY-LBPRGKRZSA-N 0 0 319.409 0.826 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCn2ccnc2)C[C@H](C)O1 ZINC000048311816 158005347 /nfs/dbraw/zinc/00/53/47/158005347.db2.gz SHUBCRLHJFXZEQ-TXEJJXNPSA-N 0 0 302.400 0.217 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCOCC[C@H]2C)CC1 ZINC000367629624 286660543 /nfs/dbraw/zinc/66/05/43/286660543.db2.gz CCXLEXKWYKYZBY-GFCCVEGCSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000048671989 158006512 /nfs/dbraw/zinc/00/65/12/158006512.db2.gz XODREOCYFORMRT-MRVPVSSYSA-N 0 0 317.333 0.231 10 0 DCAERN C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000048672963 158006569 /nfs/dbraw/zinc/00/65/69/158006569.db2.gz ATBIDPRSRFVCKL-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000049443198 158010479 /nfs/dbraw/zinc/01/04/79/158010479.db2.gz MXZFRIXHSJNFSP-MNOVXSKESA-N 0 0 305.444 0.856 10 0 DCAERN Cc1cccnc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000051813389 158014536 /nfs/dbraw/zinc/01/45/36/158014536.db2.gz IPWXGMLTIDQTNC-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CNC(N)=O)c1 ZINC000058938640 158027363 /nfs/dbraw/zinc/02/73/63/158027363.db2.gz LZGXTDLSMFFGRF-SNVBAGLBSA-N 0 0 306.366 0.499 10 0 DCAERN Cc1cc(NCCNS(C)(=O)=O)nc(-c2ccncc2)n1 ZINC000060858745 158028149 /nfs/dbraw/zinc/02/81/49/158028149.db2.gz GYIXWQFOAYGHOO-UHFFFAOYSA-N 0 0 307.379 0.808 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccco1 ZINC000063768651 158031350 /nfs/dbraw/zinc/03/13/50/158031350.db2.gz RUFZSIPOLWEIEO-GHMZBOCLSA-N 0 0 307.350 0.512 10 0 DCAERN O=C(Cc1ccccc1)NCCC(=O)N1CCNC(=O)CC1 ZINC000065902668 158034296 /nfs/dbraw/zinc/03/42/96/158034296.db2.gz DYQJNGCTMOJFHA-UHFFFAOYSA-N 0 0 303.362 0.084 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000066918677 158037353 /nfs/dbraw/zinc/03/73/53/158037353.db2.gz MRERLAWDCWFDLX-SECBINFHSA-N 0 0 302.327 0.794 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000067873344 158040923 /nfs/dbraw/zinc/04/09/23/158040923.db2.gz LVNWBTDSPWKBIH-SECBINFHSA-N 0 0 305.313 0.684 10 0 DCAERN COCCN(CC(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000073286801 158054962 /nfs/dbraw/zinc/05/49/62/158054962.db2.gz PTMIZLWUORBRDW-BETUJISGSA-N 0 0 308.444 0.945 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1C ZINC000074675063 158059756 /nfs/dbraw/zinc/05/97/56/158059756.db2.gz KOTIJGSAEVBPCB-SKDRFNHKSA-N 0 0 307.398 0.498 10 0 DCAERN CC(C)(O)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000075236930 158061663 /nfs/dbraw/zinc/06/16/63/158061663.db2.gz SYHWALCNDOXSSE-NSHDSACASA-N 0 0 300.424 0.965 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000075288416 158062488 /nfs/dbraw/zinc/06/24/88/158062488.db2.gz MQEHYPRZNKPKFG-WDEREUQCSA-N 0 0 303.366 0.777 10 0 DCAERN Cc1cc(CN(C)[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)no1 ZINC000075695672 158062533 /nfs/dbraw/zinc/06/25/33/158062533.db2.gz JIFHUYUYPQKCRI-NSHDSACASA-N 0 0 308.382 0.540 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000075980882 158063402 /nfs/dbraw/zinc/06/34/02/158063402.db2.gz KECJOFBWESRYOP-KBPBESRZSA-N 0 0 310.442 0.981 10 0 DCAERN CC(C)COC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000077619804 158068648 /nfs/dbraw/zinc/06/86/48/158068648.db2.gz YEWZWYDUPDYQQK-UHFFFAOYSA-N 0 0 306.428 0.700 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000077718063 158068776 /nfs/dbraw/zinc/06/87/76/158068776.db2.gz FJFLFHNVOAQBKI-GFCCVEGCSA-N 0 0 316.317 0.658 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077829397 158070430 /nfs/dbraw/zinc/07/04/30/158070430.db2.gz PFXXTUFVIQUVEV-SRVKXCTJSA-N 0 0 306.428 0.660 10 0 DCAERN CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077764792 158070497 /nfs/dbraw/zinc/07/04/97/158070497.db2.gz KHGXKLBEWMLSRI-LBPRGKRZSA-N 0 0 318.333 0.952 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)nn1 ZINC000079726810 158078617 /nfs/dbraw/zinc/07/86/17/158078617.db2.gz IGBFNIJOIZMNNQ-NSHDSACASA-N 0 0 319.752 0.834 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cn(CC(N)=O)nn1 ZINC000080090197 158079899 /nfs/dbraw/zinc/07/98/99/158079899.db2.gz KEXZNCPSDRDMIO-NSHDSACASA-N 0 0 309.370 0.185 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000081424725 158084103 /nfs/dbraw/zinc/08/41/03/158084103.db2.gz AJXHUGUQZRWODD-CHWSQXEVSA-N 0 0 320.455 0.978 10 0 DCAERN O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1COCCN1 ZINC000088358323 158093034 /nfs/dbraw/zinc/09/30/34/158093034.db2.gz WBPIUEGYFNUKTK-VIFPVBQESA-N 0 0 305.256 0.950 10 0 DCAERN Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(C)(=O)=O ZINC000089199282 158096283 /nfs/dbraw/zinc/09/62/83/158096283.db2.gz FGNRQZZMURNJKM-UHFFFAOYSA-N 0 0 321.358 0.745 10 0 DCAERN NC(=O)CONC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000089465405 158097348 /nfs/dbraw/zinc/09/73/48/158097348.db2.gz WNFQVAPTYLEQHR-RXMQYKEDSA-N 0 0 306.244 0.067 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000090062965 158102218 /nfs/dbraw/zinc/10/22/18/158102218.db2.gz CCWQGDAEZBMNHK-SECBINFHSA-N 0 0 312.320 0.589 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000091227151 158107962 /nfs/dbraw/zinc/10/79/62/158107962.db2.gz FXKVXXQGTUVDMT-CYBMUJFWSA-N 0 0 323.397 0.868 10 0 DCAERN COc1ccc(Cl)cc1NC(=O)CN1CCO[C@@H](CO)C1 ZINC000094268308 158123002 /nfs/dbraw/zinc/12/30/02/158123002.db2.gz OKBNMZGAAAOJRF-LLVKDONJSA-N 0 0 314.769 0.980 10 0 DCAERN CNc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000096778747 158124451 /nfs/dbraw/zinc/12/44/51/158124451.db2.gz RKAJTNBFPXIYDI-UHFFFAOYSA-N 0 0 320.374 0.701 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000104798285 158129570 /nfs/dbraw/zinc/12/95/70/158129570.db2.gz SIENTESRLVWLEF-ZDUSSCGKSA-N 0 0 306.366 0.255 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000105880184 158130908 /nfs/dbraw/zinc/13/09/08/158130908.db2.gz OAWGOQXKMNAIEU-JTQLQIEISA-N 0 0 317.315 0.895 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000107309778 158135337 /nfs/dbraw/zinc/13/53/37/158135337.db2.gz QOTNIRIHHYTGDX-AOOOYVTPSA-N 0 0 317.411 0.778 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000109341686 158138505 /nfs/dbraw/zinc/13/85/05/158138505.db2.gz BCYNLXOPLNWSBT-CYBMUJFWSA-N 0 0 302.371 0.576 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000111351790 158140555 /nfs/dbraw/zinc/14/05/55/158140555.db2.gz CGTXHLNPQOHSHY-NEPJUHHUSA-N 0 0 303.428 0.421 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650274 158144255 /nfs/dbraw/zinc/14/42/55/158144255.db2.gz FUYJIJYLZOYBSS-NSHDSACASA-N 0 0 314.411 0.314 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)C1(c2ccc(F)cc2)CC1 ZINC000113192569 158144660 /nfs/dbraw/zinc/14/46/60/158144660.db2.gz PKOUGIJQXZXCDV-UHFFFAOYSA-N 0 0 305.309 0.525 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407697 158153478 /nfs/dbraw/zinc/15/34/78/158153478.db2.gz JIRDFMDNRXODPF-PWSUYJOCSA-N 0 0 308.407 0.695 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000114779176 158156473 /nfs/dbraw/zinc/15/64/73/158156473.db2.gz OVYSNLFBQCBABR-GFCCVEGCSA-N 0 0 314.345 0.662 10 0 DCAERN CC(C)CCC(=O)NCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114858036 158157048 /nfs/dbraw/zinc/15/70/48/158157048.db2.gz QNGMBEQCDVSKLT-CQSZACIVSA-N 0 0 311.426 0.518 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCN(CC(F)F)CC2)C1=O ZINC000114835948 158157983 /nfs/dbraw/zinc/15/79/83/158157983.db2.gz AFWFRYRJPSYKKU-LLVKDONJSA-N 0 0 318.368 0.588 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CCN(C(C)C)C2=O)n1 ZINC000114827220 158158184 /nfs/dbraw/zinc/15/81/84/158158184.db2.gz AGVZICMGJYSVBP-LBPRGKRZSA-N 0 0 306.366 0.899 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](NC(=O)OC)C(C)C)CC2 ZINC000114871632 158159338 /nfs/dbraw/zinc/15/93/38/158159338.db2.gz HYOOBHASZFJTNG-ZWNOBZJWSA-N 0 0 323.397 0.652 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)NCc2cccc(OC)n2)C1 ZINC000114949694 158159815 /nfs/dbraw/zinc/15/98/15/158159815.db2.gz OJYVEMQMABLZKV-LLVKDONJSA-N 0 0 306.366 0.758 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC000115451179 158161566 /nfs/dbraw/zinc/16/15/66/158161566.db2.gz BPJAIYFSIPKAKT-JTQLQIEISA-N 0 0 324.356 0.540 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000116559369 158165286 /nfs/dbraw/zinc/16/52/86/158165286.db2.gz SZCMAFHADXVTAM-OLZOCXBDSA-N 0 0 324.425 0.601 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000116669841 158165804 /nfs/dbraw/zinc/16/58/04/158165804.db2.gz DGOKAZVEKZSAPK-LBPRGKRZSA-N 0 0 302.378 0.611 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000117773821 158173293 /nfs/dbraw/zinc/17/32/93/158173293.db2.gz MUAZQPAOEXAANG-SMDDNHRTSA-N 0 0 324.402 0.703 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)Cc2ccccc2)c1 ZINC000117812523 158173493 /nfs/dbraw/zinc/17/34/93/158173493.db2.gz PVBUVRGUWPDEJX-UHFFFAOYSA-N 0 0 300.362 0.667 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)[C@@H](C)COC)CCN1CCOC ZINC000117925423 158174604 /nfs/dbraw/zinc/17/46/04/158174604.db2.gz NFOCWNNJPNLGBL-STQMWFEESA-N 0 0 308.444 0.394 10 0 DCAERN CCS(=O)(=O)CCN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000118391716 158177375 /nfs/dbraw/zinc/17/73/75/158177375.db2.gz ZZZZYKGWYJRBKC-UHFFFAOYSA-N 0 0 318.420 0.131 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000119495284 158187749 /nfs/dbraw/zinc/18/77/49/158187749.db2.gz MHTSXUNODGBXKU-CQSZACIVSA-N 0 0 318.439 0.876 10 0 DCAERN CCOCCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120058099 158193628 /nfs/dbraw/zinc/19/36/28/158193628.db2.gz GYUUKGAWVOOCLB-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN Cc1ccc2c(O)c(C(=O)NCc3nccc(N)n3)cnc2n1 ZINC000120572651 158200665 /nfs/dbraw/zinc/20/06/65/158200665.db2.gz NQGBDAHJNZUEDW-UHFFFAOYSA-N 0 0 310.317 0.946 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000121230783 158209526 /nfs/dbraw/zinc/20/95/26/158209526.db2.gz YLBZJLDARBZHEE-NSHDSACASA-N 0 0 302.334 0.217 10 0 DCAERN COCCN1C[C@H](C(=O)N(C(C)C)C2CCOCC2)CC1=O ZINC000121481311 158211643 /nfs/dbraw/zinc/21/16/43/158211643.db2.gz XYRDFRDJRCQUIL-CYBMUJFWSA-N 0 0 312.410 0.897 10 0 DCAERN Cc1c(/C=C/C(=O)NC[C@H]2CN(C3CC3)CCO2)cnn1C ZINC000121482822 158211776 /nfs/dbraw/zinc/21/17/76/158211776.db2.gz RXCIHNBYPWDXNX-VFQAQYNWSA-N 0 0 304.394 0.721 10 0 DCAERN C[C@H]1Cc2cc(C(=O)N3CC(CO)C3)ccc2N1S(C)(=O)=O ZINC000122376070 158220989 /nfs/dbraw/zinc/22/09/89/158220989.db2.gz DZQIWLPAWCZOAY-JTQLQIEISA-N 0 0 324.402 0.462 10 0 DCAERN Cc1cc(N2C[C@@H](C(=O)N3CC(CO)C3)CC2=O)ccc1F ZINC000122338981 158221119 /nfs/dbraw/zinc/22/11/19/158221119.db2.gz YOKVGQZGIIUFIZ-LBPRGKRZSA-N 0 0 306.337 0.938 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC(CO)C1)c1c(F)cccc1F ZINC000122481886 158221766 /nfs/dbraw/zinc/22/17/66/158221766.db2.gz QOMSJNVKHUEWIC-ZDUSSCGKSA-N 0 0 312.316 0.983 10 0 DCAERN CC(C)(C)C(=O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000122491887 158221983 /nfs/dbraw/zinc/22/19/83/158221983.db2.gz URAUVOUGMWBNIK-UHFFFAOYSA-N 0 0 317.345 0.421 10 0 DCAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCNC(=O)C1 ZINC000122734389 158224386 /nfs/dbraw/zinc/22/43/86/158224386.db2.gz SJDCEQUAZNTKRE-ONGXEEELSA-N 0 0 319.336 0.992 10 0 DCAERN COCCc1cc(NC(=O)[C@H]2CCCCN2C(C)=O)n(C)n1 ZINC000122904636 158224937 /nfs/dbraw/zinc/22/49/37/158224937.db2.gz MYKKECPBNMTUJF-CYBMUJFWSA-N 0 0 308.382 0.949 10 0 DCAERN COCCS(=O)(=O)NCCc1csc(N2CCCC2)n1 ZINC000123077242 158225855 /nfs/dbraw/zinc/22/58/55/158225855.db2.gz MJKVCLLDMVJBOA-UHFFFAOYSA-N 0 0 319.452 0.852 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000123255210 158228375 /nfs/dbraw/zinc/22/83/75/158228375.db2.gz SNYBEPHVLHIHOI-LRDDRELGSA-N 0 0 320.393 0.821 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)n(C)n1 ZINC000123223672 158228378 /nfs/dbraw/zinc/22/83/78/158228378.db2.gz WEFXNVDPGMTINK-LLVKDONJSA-N 0 0 300.318 0.917 10 0 DCAERN CCOCCOCC(=O)NCc1ccc(-n2cncn2)cc1 ZINC000123501340 158230057 /nfs/dbraw/zinc/23/00/57/158230057.db2.gz QSEQLEFJSNYHFO-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)no1 ZINC000123899899 158235191 /nfs/dbraw/zinc/23/51/91/158235191.db2.gz YWMXNHLPEHSCAH-GFCCVEGCSA-N 0 0 322.365 0.366 10 0 DCAERN Cc1nc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)no1 ZINC000124503741 158242363 /nfs/dbraw/zinc/24/23/63/158242363.db2.gz DGYBGLVUHMXZCC-UHFFFAOYSA-N 0 0 300.274 0.534 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)Nc3ccnn3C)CC2)cn1 ZINC000124725957 158246818 /nfs/dbraw/zinc/24/68/18/158246818.db2.gz SCCDEKGQDOJQCG-UHFFFAOYSA-N 0 0 317.397 0.893 10 0 DCAERN C[C@H]1CC[C@H](C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)O1 ZINC000125464662 158254930 /nfs/dbraw/zinc/25/49/30/158254930.db2.gz YGTBKTZNYFJWSW-GZMMTYOYSA-N 0 0 318.333 0.138 10 0 DCAERN O=C(NOCc1cccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000126844051 158268702 /nfs/dbraw/zinc/26/87/02/158268702.db2.gz CZPGKPUILMYGPG-CQSZACIVSA-N 0 0 306.366 0.629 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000127408163 158273117 /nfs/dbraw/zinc/27/31/17/158273117.db2.gz UXYVMQHUKVNAQP-HIFRSBDPSA-N 0 0 309.410 0.224 10 0 DCAERN CN(C)c1ccnc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000127574935 158273940 /nfs/dbraw/zinc/27/39/40/158273940.db2.gz XITVTBKTBUHYPR-AWEZNQCLSA-N 0 0 304.394 0.741 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1n[nH]c2c1CCCC2 ZINC000127465087 158274080 /nfs/dbraw/zinc/27/40/80/158274080.db2.gz CRXBJDQUNYDNNT-LBPRGKRZSA-N 0 0 304.394 0.882 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)cs1 ZINC000128554085 158280844 /nfs/dbraw/zinc/28/08/44/158280844.db2.gz WSXOZDMDJIYOGT-LLVKDONJSA-N 0 0 310.423 0.607 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CCC(OCCO)CC1 ZINC000128748015 158282093 /nfs/dbraw/zinc/28/20/93/158282093.db2.gz AYBHLEUDJNAADD-UHFFFAOYSA-N 0 0 300.380 0.431 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@H](O)COC(C)C ZINC000131048457 158298438 /nfs/dbraw/zinc/29/84/38/158298438.db2.gz OERHOTNEVSCYPZ-NSHDSACASA-N 0 0 306.384 0.698 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000131221932 158300282 /nfs/dbraw/zinc/30/02/82/158300282.db2.gz VFKPQOXINUAUOF-VHSXEESVSA-N 0 0 320.436 0.550 10 0 DCAERN CN(C)C(=O)c1cccc(CCNC(=O)C2=NNC(=O)CC2)c1 ZINC000132032788 158308263 /nfs/dbraw/zinc/30/82/63/158308263.db2.gz RUMJDQHBZWTZOC-UHFFFAOYSA-N 0 0 316.361 0.313 10 0 DCAERN C[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132276818 158309516 /nfs/dbraw/zinc/30/95/16/158309516.db2.gz VDTMEVHADGWBHK-ZBFHGGJFSA-N 0 0 306.406 0.675 10 0 DCAERN O=C(CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000132384958 158310537 /nfs/dbraw/zinc/31/05/37/158310537.db2.gz KMHKNCPWXQVCAT-UONOGXRCSA-N 0 0 310.394 0.795 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000132811338 158314287 /nfs/dbraw/zinc/31/42/87/158314287.db2.gz RZQFJQWILZQCQY-ZDUSSCGKSA-N 0 0 324.425 0.413 10 0 DCAERN NC(=O)COCCNS(=O)(=O)c1c(F)cccc1Cl ZINC000133066073 158316166 /nfs/dbraw/zinc/31/61/66/158316166.db2.gz ABSZSLRDPXHQKP-UHFFFAOYSA-N 0 0 310.734 0.259 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cnn(C)c1C)CC2 ZINC000133516071 158320842 /nfs/dbraw/zinc/32/08/42/158320842.db2.gz OVOWNWLTIPJKJH-GFCCVEGCSA-N 0 0 317.397 0.697 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000134438247 158327786 /nfs/dbraw/zinc/32/77/86/158327786.db2.gz USOMLYYAONHYCA-SCRDCRAPSA-N 0 0 307.398 0.866 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134794423 158330932 /nfs/dbraw/zinc/33/09/32/158330932.db2.gz SGHXRXVCXATHCV-MWLCHTKSSA-N 0 0 310.785 0.955 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000135499565 158338136 /nfs/dbraw/zinc/33/81/36/158338136.db2.gz WXFNTYGGXCBDSK-GHMZBOCLSA-N 0 0 314.411 0.601 10 0 DCAERN CCn1ccnc1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135691783 158340158 /nfs/dbraw/zinc/34/01/58/158340158.db2.gz YRFOZLDPCCQWQQ-CYBMUJFWSA-N 0 0 312.439 0.903 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCCCCOC)CCO2)[nH]1 ZINC000136855032 158344406 /nfs/dbraw/zinc/34/44/06/158344406.db2.gz MOKGQTQRPKXUDK-LLVKDONJSA-N 0 0 311.386 0.877 10 0 DCAERN CC(C)N(CC(F)F)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000161964289 158358888 /nfs/dbraw/zinc/35/88/88/158358888.db2.gz LRVCPAACXDEAFV-UHFFFAOYSA-N 0 0 313.308 0.632 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000163027922 158362110 /nfs/dbraw/zinc/36/21/10/158362110.db2.gz GAJBKNFURFEVIF-UHFFFAOYSA-N 0 0 304.412 0.328 10 0 DCAERN CCOC(=O)N1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000170241239 158373647 /nfs/dbraw/zinc/37/36/47/158373647.db2.gz ILJWNBHUIGYDSZ-JTQLQIEISA-N 0 0 307.354 0.210 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCN(c2cccnn2)CC1 ZINC000170649046 158374738 /nfs/dbraw/zinc/37/47/38/158374738.db2.gz KYEFZKJFQFEPJF-UHFFFAOYSA-N 0 0 317.315 0.619 10 0 DCAERN COCCN(CC(=O)Nc1cc(F)cc(F)c1)[C@H](C)C(N)=O ZINC000171577622 158383969 /nfs/dbraw/zinc/38/39/69/158383969.db2.gz GELBEEVTULMYLD-SECBINFHSA-N 0 0 315.320 0.726 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171641010 158385104 /nfs/dbraw/zinc/38/51/04/158385104.db2.gz WAHYSZOYALIDHW-LLVKDONJSA-N 0 0 324.406 0.101 10 0 DCAERN O=C(NCCNC(=O)N1CCNC(=O)CC1)c1ccccc1F ZINC000171654294 158385878 /nfs/dbraw/zinc/38/58/78/158385878.db2.gz GLRBLINWLUVOSG-UHFFFAOYSA-N 0 0 322.340 0.087 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000172275086 158392933 /nfs/dbraw/zinc/39/29/33/158392933.db2.gz MLCDBQLEVQKBGI-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cncc(O)c3)CC2)no1 ZINC000172408731 158394221 /nfs/dbraw/zinc/39/42/21/158394221.db2.gz QQJFRSIWEHVAGQ-UHFFFAOYSA-N 0 0 317.349 0.827 10 0 DCAERN COc1ncccc1CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172539114 158395651 /nfs/dbraw/zinc/39/56/51/158395651.db2.gz FINAYIDELUEMRT-ZYHUDNBSSA-N 0 0 306.366 0.934 10 0 DCAERN Cc1nc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1 ZINC000173401077 158405341 /nfs/dbraw/zinc/40/53/41/158405341.db2.gz IDYBYJLWFYFMGL-UHFFFAOYSA-N 0 0 309.307 0.026 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173419927 158405503 /nfs/dbraw/zinc/40/55/03/158405503.db2.gz CSPMCFLYKWZUNK-GFCCVEGCSA-N 0 0 315.443 0.565 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175125299 158424151 /nfs/dbraw/zinc/42/41/51/158424151.db2.gz RAIQZXHCKLLNNT-QWHCGFSZSA-N 0 0 309.414 0.937 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000175618314 158429360 /nfs/dbraw/zinc/42/93/60/158429360.db2.gz YKRCGHUYZXLPND-NEPJUHHUSA-N 0 0 322.413 0.165 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](O)C1 ZINC000176029861 158432807 /nfs/dbraw/zinc/43/28/07/158432807.db2.gz DBXPRMWHQVXQTD-UWVGGRQHSA-N 0 0 316.354 0.086 10 0 DCAERN COCCCOC1CN(C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC000176504656 158438271 /nfs/dbraw/zinc/43/82/71/158438271.db2.gz HYBWITIMTCYSOJ-UHFFFAOYSA-N 0 0 314.407 0.791 10 0 DCAERN CCOCCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182247166 158490624 /nfs/dbraw/zinc/49/06/24/158490624.db2.gz ZLVKMCLQALNRCM-CYBMUJFWSA-N 0 0 306.366 0.913 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184945012 158513315 /nfs/dbraw/zinc/51/33/15/158513315.db2.gz WXMPABZDBXUBSC-UHFFFAOYSA-N 0 0 320.330 0.550 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186119436 158527119 /nfs/dbraw/zinc/52/71/19/158527119.db2.gz NVUCUYVCQFITMS-LBPRGKRZSA-N 0 0 323.418 0.380 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186528967 158531922 /nfs/dbraw/zinc/53/19/22/158531922.db2.gz NFQRFGQCNNMQEA-UHFFFAOYSA-N 0 0 319.409 0.782 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3O)C2)cn1 ZINC000187284703 158537571 /nfs/dbraw/zinc/53/75/71/158537571.db2.gz IKWOGVJTORWIRK-QEJZJMRPSA-N 0 0 321.425 0.992 10 0 DCAERN COCCn1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)n1 ZINC000187755586 158539901 /nfs/dbraw/zinc/53/99/01/158539901.db2.gz MKNBBKFNDLWZBI-UHFFFAOYSA-N 0 0 313.321 0.758 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1)C1CC1 ZINC000187817702 158540414 /nfs/dbraw/zinc/54/04/14/158540414.db2.gz IZJYTCNBRVWNRJ-OCCSQVGLSA-N 0 0 307.394 0.864 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)s1 ZINC000188017176 158542126 /nfs/dbraw/zinc/54/21/26/158542126.db2.gz IKEOEMWSYVLAIV-UHFFFAOYSA-N 0 0 322.390 0.517 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000188636145 158545821 /nfs/dbraw/zinc/54/58/21/158545821.db2.gz XBEOSKDFZWAJIZ-MYPMTAMASA-N 0 0 312.410 0.680 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190302720 158559602 /nfs/dbraw/zinc/55/96/02/158559602.db2.gz FABXBSOEQRYMTH-UHFFFAOYSA-N 0 0 319.409 0.499 10 0 DCAERN Cc1cc(N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)n[nH]1 ZINC000190681671 158562940 /nfs/dbraw/zinc/56/29/40/158562940.db2.gz AUQPJSSYEKWDEV-UHFFFAOYSA-N 0 0 302.382 0.949 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@H](CO)O1 ZINC000191785265 158571421 /nfs/dbraw/zinc/57/14/21/158571421.db2.gz IXHLFDGIONPETC-NOZJJQNGSA-N 0 0 300.305 0.985 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(C(N)=O)c2)C1 ZINC000193895246 158591313 /nfs/dbraw/zinc/59/13/13/158591313.db2.gz NEPNSCPRYSJPED-ZDUSSCGKSA-N 0 0 313.361 0.934 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286550 158608071 /nfs/dbraw/zinc/60/80/71/158608071.db2.gz XMAUGUWFNPFNHO-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1cccnc1 ZINC000238878518 158644277 /nfs/dbraw/zinc/64/42/77/158644277.db2.gz OQVTXWDRLMFMES-UHFFFAOYSA-N 0 0 311.341 0.666 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cn1 ZINC000247973214 158688281 /nfs/dbraw/zinc/68/82/81/158688281.db2.gz FXUAAJIHJZBLDG-MELADBBJSA-N 0 0 321.377 0.881 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)NCc1ccco1 ZINC000248376891 158689144 /nfs/dbraw/zinc/68/91/44/158689144.db2.gz DYISNRSJEIHXPW-SNVBAGLBSA-N 0 0 309.366 0.563 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@]23CCc2ccccc23)CCO1 ZINC000248427282 158691388 /nfs/dbraw/zinc/69/13/88/158691388.db2.gz ADMQMDCXHSQSPX-VKJFTORMSA-N 0 0 314.385 0.864 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000248449293 158691520 /nfs/dbraw/zinc/69/15/20/158691520.db2.gz DXUFPFZCAFZFIE-HWBVIDEXSA-N 0 0 309.387 0.994 10 0 DCAERN COc1ccc(CCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000284824913 158963338 /nfs/dbraw/zinc/96/33/38/158963338.db2.gz CEBGRPHBQTZAQY-INIZCTEOSA-N 0 0 306.362 0.467 10 0 DCAERN c1cc(N2CCO[C@@]3(CCOC3)C2)nn2c1nnc2C1CC1 ZINC000302216794 158979197 /nfs/dbraw/zinc/97/91/97/158979197.db2.gz JAGBGOKVGDVNTH-HNNXBMFYSA-N 0 0 301.350 0.997 10 0 DCAERN O=S(=O)(N1CC[C@](O)(C(F)(F)F)C1)N1CCCCC1 ZINC000311865419 158995474 /nfs/dbraw/zinc/99/54/74/158995474.db2.gz RGKHTHIADNZZAV-SECBINFHSA-N 0 0 302.318 0.716 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3cnccc3c2)CCS1(=O)=O ZINC000328647918 159016744 /nfs/dbraw/zinc/01/67/44/159016744.db2.gz ICYMXFNNCMJBCA-SNVBAGLBSA-N 0 0 305.359 0.889 10 0 DCAERN CO[C@H](C(=O)N1CCN[C@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660926 159017678 /nfs/dbraw/zinc/01/76/78/159017678.db2.gz WEWBMZKEAZHDQC-GJZGRUSLSA-N 0 0 315.377 0.676 10 0 DCAERN C[C@H](C(=O)N1CCN[C@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660475 159017961 /nfs/dbraw/zinc/01/79/61/159017961.db2.gz VLJIEOZWKCQDTC-HIFRSBDPSA-N 0 0 304.394 0.275 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000328661221 159018595 /nfs/dbraw/zinc/01/85/95/159018595.db2.gz ACEGRMNUVNMPOB-MRXNPFEDSA-N 0 0 316.361 0.536 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669269 159018845 /nfs/dbraw/zinc/01/88/45/159018845.db2.gz FCUGNRSCFIDBAE-AWEZNQCLSA-N 0 0 307.398 0.217 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000328690176 159021207 /nfs/dbraw/zinc/02/12/07/159021207.db2.gz QTCDHGBHVAITKZ-SJLPKXTDSA-N 0 0 318.417 0.870 10 0 DCAERN C[C@H](C(=O)N1CCC(Cn2ccnn2)CC1)N1CCOCC1 ZINC000328751467 159026547 /nfs/dbraw/zinc/02/65/47/159026547.db2.gz RNFSLWBGNQQKRX-CYBMUJFWSA-N 0 0 307.398 0.237 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000328761596 159027267 /nfs/dbraw/zinc/02/72/67/159027267.db2.gz YCUPTSZQRAEOIX-HNNXBMFYSA-N 0 0 311.403 0.741 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328857366 159035204 /nfs/dbraw/zinc/03/52/04/159035204.db2.gz XVEKPGJXWYWHBF-MGPQQGTHSA-N 0 0 317.455 0.368 10 0 DCAERN CN(C(=O)N1CCO[C@@H](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328879096 159037320 /nfs/dbraw/zinc/03/73/20/159037320.db2.gz LGFAIWHVNGARNR-NWDGAFQWSA-N 0 0 302.396 0.336 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000328892041 159038254 /nfs/dbraw/zinc/03/82/54/159038254.db2.gz SVQPNPOYXHNDGM-MELADBBJSA-N 0 0 309.410 0.176 10 0 DCAERN CC1CCN(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328905994 159040027 /nfs/dbraw/zinc/04/00/27/159040027.db2.gz BEQLVKIDTLDQGF-HNNXBMFYSA-N 0 0 307.398 0.957 10 0 DCAERN Cn1cnnc1COCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328912354 159040542 /nfs/dbraw/zinc/04/05/42/159040542.db2.gz HFANOWPBWQWMDD-IUODEOHRSA-N 0 0 308.382 0.485 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328918051 159041080 /nfs/dbraw/zinc/04/10/80/159041080.db2.gz KYPSSSHUHTTZCO-STQMWFEESA-N 0 0 313.427 0.862 10 0 DCAERN O=C([C@@H]1CCc2nncn2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328924830 159041599 /nfs/dbraw/zinc/04/15/99/159041599.db2.gz NVUXPZXDPGBXFF-IOASZLSFSA-N 0 0 304.394 0.994 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@H]1CCN(C)C1=O ZINC000329054361 159055619 /nfs/dbraw/zinc/05/56/19/159055619.db2.gz HUFPWCSCEUEJSK-HZSPNIEDSA-N 0 0 309.410 0.319 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccn(C2CCCC2)n1 ZINC000329067427 159058390 /nfs/dbraw/zinc/05/83/90/159058390.db2.gz WZYXXVBTDXKYCY-UONOGXRCSA-N 0 0 316.365 0.960 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@]2(CCCOC2)C1 ZINC000329132907 159065077 /nfs/dbraw/zinc/06/50/77/159065077.db2.gz AXWBEWUPEBHGKN-OAHLLOKOSA-N 0 0 302.334 0.751 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194449 159072681 /nfs/dbraw/zinc/07/26/81/159072681.db2.gz SXOQANDNHPKUFM-RFQIPJPRSA-N 0 0 314.451 0.610 10 0 DCAERN CCCN(C(=O)c1cnn2ccncc12)[C@@H]1CCS(=O)(=O)C1 ZINC000329234649 159076043 /nfs/dbraw/zinc/07/60/43/159076043.db2.gz HZNVRJACAXKPIV-LLVKDONJSA-N 0 0 322.390 0.769 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H](C)S1(=O)=O ZINC000329432779 159092206 /nfs/dbraw/zinc/09/22/06/159092206.db2.gz IEYVABOSKPKJNU-IUCAKERBSA-N 0 0 323.378 0.391 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN2CCOC[C@H]2C1 ZINC000329471010 159095624 /nfs/dbraw/zinc/09/56/24/159095624.db2.gz YRGKYICEEGBKQJ-LLVKDONJSA-N 0 0 317.345 0.824 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C[C@H](C)O1 ZINC000329549960 159101965 /nfs/dbraw/zinc/10/19/65/159101965.db2.gz JCFUKXOFBASSTC-CDGCEXEKSA-N 0 0 324.381 0.504 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cn(C2CCOCC2)nn1 ZINC000329552012 159102253 /nfs/dbraw/zinc/10/22/53/159102253.db2.gz FZKAPSXNGKLHGH-VXGBXAGGSA-N 0 0 307.398 0.794 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)NCCN2CCOC(C)(C)C2)CCO1 ZINC000329581314 159104588 /nfs/dbraw/zinc/10/45/88/159104588.db2.gz LFZXSLQZCZYSPL-STQMWFEESA-N 0 0 320.455 0.584 10 0 DCAERN CCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@@H]1C ZINC000329623005 159107516 /nfs/dbraw/zinc/10/75/16/159107516.db2.gz SBHJWMYQMOLZTO-JTQLQIEISA-N 0 0 306.370 0.699 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC(=O)N(C)C1 ZINC000329796594 159120499 /nfs/dbraw/zinc/12/04/99/159120499.db2.gz WXXMKNAETVGIBZ-HNNXBMFYSA-N 0 0 315.373 0.781 10 0 DCAERN Cc1nnc2n1C[C@@H](CNS(=O)(=O)NC1CCCC1)CC2 ZINC000329821324 159122146 /nfs/dbraw/zinc/12/21/46/159122146.db2.gz HDWLIBNVXPSKTC-LLVKDONJSA-N 0 0 313.427 0.516 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000329850861 159123489 /nfs/dbraw/zinc/12/34/89/159123489.db2.gz ZZBWRZUAZNSELI-CABCVRRESA-N 0 0 309.410 0.321 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000329864585 159124547 /nfs/dbraw/zinc/12/45/47/159124547.db2.gz SSIDYRQBMFSBRK-ZYHUDNBSSA-N 0 0 304.350 0.580 10 0 DCAERN CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC000329923826 159129321 /nfs/dbraw/zinc/12/93/21/159129321.db2.gz IRIYJPARZXRMFA-RBSFLKMASA-N 0 0 322.405 0.675 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)[C@H]1c1cccnc1 ZINC000329965055 159132127 /nfs/dbraw/zinc/13/21/27/159132127.db2.gz UFRLOEXOPWXLFB-KNCOVGOOSA-N 0 0 315.373 0.991 10 0 DCAERN Cc1cc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)nc(C)n1 ZINC000330182903 159148824 /nfs/dbraw/zinc/14/88/24/159148824.db2.gz HOOGIQDPRCZESU-UHFFFAOYSA-N 0 0 302.256 0.898 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CC[C@@H](O)C1 ZINC000330199300 159149332 /nfs/dbraw/zinc/14/93/32/159149332.db2.gz VFTYIRQLFSOVJS-QWHCGFSZSA-N 0 0 304.412 0.174 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC1CCOCC1 ZINC000330198050 159149605 /nfs/dbraw/zinc/14/96/05/159149605.db2.gz SQXJEGHZSARSSH-AWEZNQCLSA-N 0 0 318.439 0.876 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@@H]1CCCOC1 ZINC000330230936 159152187 /nfs/dbraw/zinc/15/21/87/159152187.db2.gz WSPHDZDIZPDVJQ-LLVKDONJSA-N 0 0 302.400 0.800 10 0 DCAERN CC(C)N1C[C@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330276197 159156018 /nfs/dbraw/zinc/15/60/18/159156018.db2.gz MNMROUADJWMOCP-SKDRFNHKSA-N 0 0 305.338 0.227 10 0 DCAERN COCCOC1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330330992 159160537 /nfs/dbraw/zinc/16/05/37/159160537.db2.gz NSLKFHJUDXXKGT-TZMCWYRMSA-N 0 0 309.366 0.372 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1C)CCC2 ZINC000332696207 159210543 /nfs/dbraw/zinc/21/05/43/159210543.db2.gz YBPMAAWEWVOIGZ-VXGBXAGGSA-N 0 0 305.382 0.599 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1CCCCNC1=O)C[NH+]1CCN(C)CC1 ZINC000332748202 159212909 /nfs/dbraw/zinc/21/29/09/159212909.db2.gz QEUUOHXVRZUHMS-GJZGRUSLSA-N 0 0 324.469 0.293 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)C[C@H]2CCCCNC2=O)CC1=O ZINC000332829820 159214144 /nfs/dbraw/zinc/21/41/44/159214144.db2.gz CYRKKHDPDYPSGP-NEPJUHHUSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)c1cnn(C)c1 ZINC000332908163 159216191 /nfs/dbraw/zinc/21/61/91/159216191.db2.gz UNSBCVUQJWGTIC-TZMCWYRMSA-N 0 0 307.398 0.597 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000365484938 159278402 /nfs/dbraw/zinc/27/84/02/159278402.db2.gz NBXVLJHZVICGSC-UPJWGTAASA-N 0 0 318.439 0.588 10 0 DCAERN C[C@H](COCC(F)(F)F)NC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000367481232 159341321 /nfs/dbraw/zinc/34/13/21/159341321.db2.gz RVRKNYNCCCOPGL-RKDXNWHRSA-N 0 0 311.304 0.861 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)OC[C@@H]1CCCO1 ZINC000367789381 159356174 /nfs/dbraw/zinc/35/61/74/159356174.db2.gz BVFBJXOOIBZESY-QWHCGFSZSA-N 0 0 312.366 0.672 10 0 DCAERN COc1ccc2c(c1)OCC[C@H]2NC(=O)CN1CCOCC1=O ZINC000369620992 159469471 /nfs/dbraw/zinc/46/94/71/159469471.db2.gz GOQYWTHLDGAHSG-CYBMUJFWSA-N 0 0 320.345 0.494 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1)C(F)(F)F ZINC000370447935 159519554 /nfs/dbraw/zinc/51/95/54/159519554.db2.gz RUETVPYAILJXNJ-GWCFXTLKSA-N 0 0 321.343 0.998 10 0 DCAERN CC(C)c1noc(CCC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000371788542 159584915 /nfs/dbraw/zinc/58/49/15/159584915.db2.gz MVLKSZVWKVTHQL-LBPRGKRZSA-N 0 0 308.382 0.669 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN4CCOC[C@H]4C3)ccc21 ZINC000371783067 159585712 /nfs/dbraw/zinc/58/57/12/159585712.db2.gz FNYXGHHGGMVOQA-GFCCVEGCSA-N 0 0 301.350 0.125 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000373244120 159670511 /nfs/dbraw/zinc/67/05/11/159670511.db2.gz MILPHZQGEOUKEV-GFCCVEGCSA-N 0 0 322.390 0.990 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000375472753 159795033 /nfs/dbraw/zinc/79/50/33/159795033.db2.gz LMUNUWZFLBUZEM-RULNRJAQSA-N 0 0 311.407 0.177 10 0 DCAERN Cc1cc(CCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)on1 ZINC000375942275 159829059 /nfs/dbraw/zinc/82/90/59/159829059.db2.gz SSZKMDFYBAHLBG-OAHLLOKOSA-N 0 0 320.349 0.362 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000377256874 159908488 /nfs/dbraw/zinc/90/84/88/159908488.db2.gz MRDVYTSPNAQPGS-CABCVRRESA-N 0 0 317.389 0.903 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000407965405 159998531 /nfs/dbraw/zinc/99/85/31/159998531.db2.gz LYPNVLKWLJUKLW-PSEORLGDSA-N 0 0 311.382 0.670 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)CC2CCCCC2)CC(=O)N1C ZINC000407973530 160000197 /nfs/dbraw/zinc/00/01/97/160000197.db2.gz YKGOIDRXNXPYJU-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CC(=O)N1C ZINC000407972568 160000249 /nfs/dbraw/zinc/00/02/49/160000249.db2.gz UULTYABYCMDHSZ-NSHDSACASA-N 0 0 316.361 0.029 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407976444 160000818 /nfs/dbraw/zinc/00/08/18/160000818.db2.gz ZYECOUCXHCYSBY-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC(C)C1 ZINC000407979856 160001209 /nfs/dbraw/zinc/00/12/09/160001209.db2.gz GKFFSHXUNNIBJA-JTQLQIEISA-N 0 0 314.411 0.182 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000407979233 160001332 /nfs/dbraw/zinc/00/13/32/160001332.db2.gz SXPHZTBMZYXUTO-UONOGXRCSA-N 0 0 310.442 0.140 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000407989942 160004436 /nfs/dbraw/zinc/00/44/36/160004436.db2.gz MDEAKUNFJAAKRA-AAEUAGOBSA-N 0 0 308.407 0.835 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CC2 ZINC000407992387 160005480 /nfs/dbraw/zinc/00/54/80/160005480.db2.gz SDKBJEJAFINMMG-NWDGAFQWSA-N 0 0 319.409 0.530 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)C[C@@H](C)O1 ZINC000408003327 160007897 /nfs/dbraw/zinc/00/78/97/160007897.db2.gz JLTLNEPXNUJRHW-IWSPIJDZSA-N 0 0 320.333 0.243 10 0 DCAERN COCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000408008736 160009920 /nfs/dbraw/zinc/00/99/20/160009920.db2.gz OHGLHIFTVXXCGW-CYBMUJFWSA-N 0 0 312.410 0.633 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2scnc2C2CC2)C1 ZINC000408012981 160010997 /nfs/dbraw/zinc/01/09/97/160010997.db2.gz HYXNRMFVMAXPLW-SECBINFHSA-N 0 0 315.420 0.914 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)nc(C)n1 ZINC000408015205 160011059 /nfs/dbraw/zinc/01/10/59/160011059.db2.gz AFSRAZNGGJXWSI-MNOVXSKESA-N 0 0 314.411 0.537 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408017148 160012166 /nfs/dbraw/zinc/01/21/66/160012166.db2.gz LFXMKLJYWQLOCH-CMPLNLGQSA-N 0 0 304.412 0.318 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cncc(F)c3)C[C@H]21 ZINC000408016075 160012412 /nfs/dbraw/zinc/01/24/12/160012412.db2.gz HRZTYAPEMPCRIK-OLZOCXBDSA-N 0 0 315.370 0.314 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000408020663 160013490 /nfs/dbraw/zinc/01/34/90/160013490.db2.gz DWPZFCHULQYCOY-CHWSQXEVSA-N 0 0 306.366 0.017 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CCO1 ZINC000408020227 160013526 /nfs/dbraw/zinc/01/35/26/160013526.db2.gz CKVKFUOPFJBBOV-KBUPBQIOSA-N 0 0 311.426 0.916 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408025249 160014646 /nfs/dbraw/zinc/01/46/46/160014646.db2.gz AMBVGITYDODFLD-AVGNSLFASA-N 0 0 306.428 0.699 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000408028546 160015558 /nfs/dbraw/zinc/01/55/58/160015558.db2.gz PROLNIITHGVQTD-ZYHUDNBSSA-N 0 0 320.411 0.273 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408027892 160015726 /nfs/dbraw/zinc/01/57/26/160015726.db2.gz PMVQZHTXDROXDL-YIYPIFLZSA-N 0 0 320.455 0.945 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000408027872 160016024 /nfs/dbraw/zinc/01/60/24/160016024.db2.gz PKBBPFHRYASDON-SECBINFHSA-N 0 0 303.409 0.685 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000408035052 160017989 /nfs/dbraw/zinc/01/79/89/160017989.db2.gz WJORHBIGZSMUHE-LLVKDONJSA-N 0 0 323.422 0.665 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCc3n[nH]nc3C1)CC2 ZINC000408038250 160019357 /nfs/dbraw/zinc/01/93/57/160019357.db2.gz LQBVJVRTYIINRM-QWRGUYRKSA-N 0 0 318.377 0.711 10 0 DCAERN CN1CCOC[C@@H]1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000408041115 160020813 /nfs/dbraw/zinc/02/08/13/160020813.db2.gz BJBRLPWBHKYHHA-SECBINFHSA-N 0 0 316.155 0.407 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)NC2(c3noc(C)n3)CCCC2)N(C)C1 ZINC000408047930 160022897 /nfs/dbraw/zinc/02/28/97/160022897.db2.gz UFHVRDZJGMSSMJ-RYUDHWBXSA-N 0 0 308.382 0.983 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000408048687 160023107 /nfs/dbraw/zinc/02/31/07/160023107.db2.gz ZUZKUFUSGIVJAX-APIJFGDWSA-N 0 0 319.405 0.762 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H](C)c2cn(C)nc2C)C1 ZINC000408050471 160023329 /nfs/dbraw/zinc/02/33/29/160023329.db2.gz JWKRLUHSDWSONQ-BONVTDFDSA-N 0 0 308.382 0.279 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408052304 160023614 /nfs/dbraw/zinc/02/36/14/160023614.db2.gz LCHMZSQAIRREDK-MELADBBJSA-N 0 0 313.442 0.898 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)[nH]n1 ZINC000408053707 160024378 /nfs/dbraw/zinc/02/43/78/160024378.db2.gz PARYENVOLSIQMX-PWSUYJOCSA-N 0 0 310.329 0.130 10 0 DCAERN COC[C@@H](C)N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408059418 160025720 /nfs/dbraw/zinc/02/57/20/160025720.db2.gz AZAMLPDDJFSRBX-MNOVXSKESA-N 0 0 307.416 0.087 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3c2cnn3C)CCO1 ZINC000408059298 160025863 /nfs/dbraw/zinc/02/58/63/160025863.db2.gz GGKODDILDSYLMB-AAEUAGOBSA-N 0 0 322.365 0.381 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCN(S(=O)(=O)NC)CC2)o1 ZINC000408067659 160027486 /nfs/dbraw/zinc/02/74/86/160027486.db2.gz DMSQIULBRIFVRY-UHFFFAOYSA-N 0 0 315.395 0.372 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1=O ZINC000408073504 160029080 /nfs/dbraw/zinc/02/90/80/160029080.db2.gz WOZMCRCNNOVHOR-JHJVBQTASA-N 0 0 315.439 0.200 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408074445 160030142 /nfs/dbraw/zinc/03/01/42/160030142.db2.gz UAQWTXGQCILPTJ-NXEZZACHSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408083041 160031446 /nfs/dbraw/zinc/03/14/46/160031446.db2.gz HXEDXASZSNGBLM-IJLUTSLNSA-N 0 0 319.427 0.135 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1N1CCOCC1 ZINC000408080587 160031547 /nfs/dbraw/zinc/03/15/47/160031547.db2.gz NXHMUUBPFVHLCF-TZMCWYRMSA-N 0 0 319.409 0.335 10 0 DCAERN C[C@H]1[C@H](C)N(C(=O)Cn2ncc(=O)c3ccccc32)CCN1C ZINC000408085514 160032883 /nfs/dbraw/zinc/03/28/83/160032883.db2.gz AJDSTISAICZCAE-STQMWFEESA-N 0 0 314.389 0.948 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1O ZINC000408096124 160035230 /nfs/dbraw/zinc/03/52/30/160035230.db2.gz VWRPQHOPEWURQR-VXGBXAGGSA-N 0 0 323.393 0.470 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408097102 160035245 /nfs/dbraw/zinc/03/52/45/160035245.db2.gz ILMPXEYDQAFYFI-GRYCIOLGSA-N 0 0 316.423 0.184 10 0 DCAERN CC[C@H]1CN(C(=O)c2cnc3c(C)cccn3c2=O)C[C@@H]1O ZINC000408098406 160035956 /nfs/dbraw/zinc/03/59/56/160035956.db2.gz USBNVALCRWSJOS-AAEUAGOBSA-N 0 0 301.346 0.846 10 0 DCAERN Cc1cnc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(O)c1 ZINC000408106992 160037015 /nfs/dbraw/zinc/03/70/15/160037015.db2.gz MPSJKWUPXSYMIA-LBPRGKRZSA-N 0 0 315.377 0.958 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CCN(C)C[C@@H]1C)c2=O ZINC000408113155 160038894 /nfs/dbraw/zinc/03/88/94/160038894.db2.gz QLTGINCQXMMELO-LBPRGKRZSA-N 0 0 300.362 0.779 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)CCS1 ZINC000408115726 160039526 /nfs/dbraw/zinc/03/95/26/160039526.db2.gz QHZLIBQWMMENIZ-QMMMGPOBSA-N 0 0 301.393 0.307 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000408117216 160039727 /nfs/dbraw/zinc/03/97/27/160039727.db2.gz ZDCILCYBGCDRHS-CYZMBNFOSA-N 0 0 310.375 0.177 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)CC(C)C ZINC000408129998 160043466 /nfs/dbraw/zinc/04/34/66/160043466.db2.gz CJOPTABTEUCSCB-NSHDSACASA-N 0 0 301.416 0.844 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N1CC[C@H](C)C1 ZINC000408130701 160043600 /nfs/dbraw/zinc/04/36/00/160043600.db2.gz CQAJNGJSBZOXBG-JTQLQIEISA-N 0 0 300.428 0.756 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000408130992 160043719 /nfs/dbraw/zinc/04/37/19/160043719.db2.gz FQWFTPBMRPXJKW-LBPRGKRZSA-N 0 0 301.416 0.748 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000408133158 160044113 /nfs/dbraw/zinc/04/41/13/160044113.db2.gz NWQQLHYTSBBNSV-ZDUSSCGKSA-N 0 0 316.427 0.626 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CC[C@H](C)C3)[C@@H]2C1 ZINC000408135274 160044822 /nfs/dbraw/zinc/04/48/22/160044822.db2.gz XRTUUFOEKHYOAM-DGAVXFQQSA-N 0 0 318.439 0.841 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CO)o1 ZINC000408137567 160044995 /nfs/dbraw/zinc/04/49/95/160044995.db2.gz JQAZUDGQQIHVKE-ZJUUUORDSA-N 0 0 316.379 0.421 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1=O ZINC000408139332 160045843 /nfs/dbraw/zinc/04/58/43/160045843.db2.gz OINOCAXQLYHINP-CYBMUJFWSA-N 0 0 302.334 0.631 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408140041 160045867 /nfs/dbraw/zinc/04/58/67/160045867.db2.gz QBIOOSULSDCKJD-CYBMUJFWSA-N 0 0 319.409 0.964 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC000408147849 160047828 /nfs/dbraw/zinc/04/78/28/160047828.db2.gz IMISLKLPKJTERK-ZIAGYGMSSA-N 0 0 309.410 0.762 10 0 DCAERN CC[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1N1CCOCC1 ZINC000408150670 160048573 /nfs/dbraw/zinc/04/85/73/160048573.db2.gz NDFLHDUNYKCAIK-UONOGXRCSA-N 0 0 323.437 0.424 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)NCCN2CCOCC2)C[C@H]1O ZINC000408148652 160048600 /nfs/dbraw/zinc/04/86/00/160048600.db2.gz HOXHUAODDPFVFC-ZIAGYGMSSA-N 0 0 313.442 0.757 10 0 DCAERN Cc1noc([C@@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000408160704 160049929 /nfs/dbraw/zinc/04/99/29/160049929.db2.gz JTWOELPRVBQRHJ-HRDYMLBCSA-N 0 0 304.372 0.383 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000408166367 160050928 /nfs/dbraw/zinc/05/09/28/160050928.db2.gz YAVYROFPPFGKEW-MRVPVSSYSA-N 0 0 308.367 0.465 10 0 DCAERN C[C@@H](CC1CCCCC1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000408165905 160050981 /nfs/dbraw/zinc/05/09/81/160050981.db2.gz VEFIIKIGDBBLHY-LBPRGKRZSA-N 0 0 317.455 0.941 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H](O)C1 ZINC000408164766 160051263 /nfs/dbraw/zinc/05/12/63/160051263.db2.gz JLIHIKCMTCGOBQ-MRVPVSSYSA-N 0 0 304.393 0.301 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1)C(F)(F)F ZINC000408165021 160051336 /nfs/dbraw/zinc/05/13/36/160051336.db2.gz KRBZAROQQYAMRQ-GMTAPVOTSA-N 0 0 321.343 0.996 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CC[C@@H](O)C1 ZINC000408179438 160053685 /nfs/dbraw/zinc/05/36/85/160053685.db2.gz DEJRLSQJHKTXMH-SNVBAGLBSA-N 0 0 313.379 0.535 10 0 DCAERN CCc1nc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000408180919 160054102 /nfs/dbraw/zinc/05/41/02/160054102.db2.gz XLFBWNJGSAAZOV-VIFPVBQESA-N 0 0 317.436 0.778 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408184844 160055054 /nfs/dbraw/zinc/05/50/54/160055054.db2.gz AATVOSJSYVVZDH-SKDRFNHKSA-N 0 0 304.350 0.820 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408189506 160056170 /nfs/dbraw/zinc/05/61/70/160056170.db2.gz XEZNCCGMXXXDKS-GAFUQQFSSA-N 0 0 302.330 0.974 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000408190436 160056199 /nfs/dbraw/zinc/05/61/99/160056199.db2.gz YTVOIXVVJPLDIR-BNOWGMLFSA-N 0 0 322.405 0.781 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408187939 160056247 /nfs/dbraw/zinc/05/62/47/160056247.db2.gz QUEJWXXBYJFGJO-WCFLWFBJSA-N 0 0 309.387 0.933 10 0 DCAERN CCc1c(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH]c(C)c1C(N)=O ZINC000408189516 160056292 /nfs/dbraw/zinc/05/62/92/160056292.db2.gz XFICYPJASDDRIN-WCQGTBRESA-N 0 0 305.378 0.827 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000408191267 160057012 /nfs/dbraw/zinc/05/70/12/160057012.db2.gz GHYUQOSITNOSFY-LLVKDONJSA-N 0 0 319.361 0.878 10 0 DCAERN NC(=O)c1ncc(Br)cc1N1CCC[C@@H](O)C1 ZINC000408191734 160057062 /nfs/dbraw/zinc/05/70/62/160057062.db2.gz JWDHMMVYGUSHKK-MRVPVSSYSA-N 0 0 300.156 0.904 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408194882 160057573 /nfs/dbraw/zinc/05/75/73/160057573.db2.gz ZTGBWGXWKZDKEO-JQWIXIFHSA-N 0 0 305.396 0.769 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408198854 160058526 /nfs/dbraw/zinc/05/85/26/160058526.db2.gz WDXPRCRMKACATK-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)N1CCCCC1 ZINC000408200529 160058654 /nfs/dbraw/zinc/05/86/54/160058654.db2.gz CUSJDCWFYOVAJZ-NSHDSACASA-N 0 0 303.428 0.564 10 0 DCAERN Cc1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)nc(C)n1 ZINC000408198565 160058700 /nfs/dbraw/zinc/05/87/00/160058700.db2.gz NMSHPMXMYBUXKD-UHFFFAOYSA-N 0 0 305.382 0.115 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC000408210005 160060768 /nfs/dbraw/zinc/06/07/68/160060768.db2.gz XGXXMWZZVBOREY-GFCCVEGCSA-N 0 0 305.382 0.228 10 0 DCAERN CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(CC(=O)N2CCC2)C1 ZINC000408211276 160060785 /nfs/dbraw/zinc/06/07/85/160060785.db2.gz NQIKJJGOTGJNDL-QWRGUYRKSA-N 0 0 307.316 0.750 10 0 DCAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCO2)c(F)c1 ZINC000408211389 160060852 /nfs/dbraw/zinc/06/08/52/160060852.db2.gz OPHUJOWYPWTNJY-UHFFFAOYSA-N 0 0 324.355 0.523 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000408217648 160062250 /nfs/dbraw/zinc/06/22/50/160062250.db2.gz FRXVEIVWIRNGEY-WDEREUQCSA-N 0 0 301.412 0.838 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000408219443 160062303 /nfs/dbraw/zinc/06/23/03/160062303.db2.gz NCGKMOBOARLOKB-WDEREUQCSA-N 0 0 313.441 0.250 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000408225025 160064094 /nfs/dbraw/zinc/06/40/94/160064094.db2.gz IXUFMWHVEGPAHN-UPJWGTAASA-N 0 0 309.410 0.666 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408233587 160065369 /nfs/dbraw/zinc/06/53/69/160065369.db2.gz AEPBVCKFMYIRAB-JTQLQIEISA-N 0 0 319.365 0.244 10 0 DCAERN Cn1cc(N2CCC[C@H](NS(=O)(=O)N3CCCC3)C2)cn1 ZINC000408236954 160065907 /nfs/dbraw/zinc/06/59/07/160065907.db2.gz LRAZJPZQMDZWBC-LBPRGKRZSA-N 0 0 313.427 0.319 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000408236313 160066272 /nfs/dbraw/zinc/06/62/72/160066272.db2.gz HXULRQWQVJZKFA-NXEZZACHSA-N 0 0 322.377 0.774 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cn1C ZINC000408237557 160066354 /nfs/dbraw/zinc/06/63/54/160066354.db2.gz OURKGWBPWMYFEH-FBIMIBRVSA-N 0 0 312.395 0.016 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cn1C ZINC000408237750 160067220 /nfs/dbraw/zinc/06/72/20/160067220.db2.gz OURKGWBPWMYFEH-IEBDPFPHSA-N 0 0 312.395 0.016 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)N1CCCC1 ZINC000408237731 160067224 /nfs/dbraw/zinc/06/72/24/160067224.db2.gz RTQWVLIRJWCJOV-JTQLQIEISA-N 0 0 300.428 0.898 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000408243285 160067636 /nfs/dbraw/zinc/06/76/36/160067636.db2.gz FRUSMXNEUBQADQ-MELADBBJSA-N 0 0 320.455 0.394 10 0 DCAERN CN(C)c1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc(=O)[nH]1 ZINC000408242362 160067672 /nfs/dbraw/zinc/06/76/72/160067672.db2.gz STEJNBDGSKMJNJ-XXILOJSOSA-N 0 0 306.366 0.792 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248205 160068977 /nfs/dbraw/zinc/06/89/77/160068977.db2.gz TWHRCTZYNWQWSM-MRXNPFEDSA-N 0 0 301.346 0.754 10 0 DCAERN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C1CCC(=O)CC1 ZINC000408248778 160069037 /nfs/dbraw/zinc/06/90/37/160069037.db2.gz KAMTXBMYBMTOTB-AAEUAGOBSA-N 0 0 316.423 0.580 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)c3n[nH]c(C)c3C)CCO2)n1 ZINC000408247063 160069052 /nfs/dbraw/zinc/06/90/52/160069052.db2.gz RHHWXWGSWPSFBE-CYBMUJFWSA-N 0 0 318.381 0.776 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000408251176 160069932 /nfs/dbraw/zinc/06/99/32/160069932.db2.gz XBILBQJDCCNBQL-BETUJISGSA-N 0 0 324.402 0.940 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CCO1 ZINC000408258044 160070725 /nfs/dbraw/zinc/07/07/25/160070725.db2.gz XIQAISICYOUTMF-ZIBATOQPSA-N 0 0 314.382 0.773 10 0 DCAERN CC1(C)CN(C(=O)c2cc(S(C)(=O)=O)cs2)C[C@H]1O ZINC000408265770 160071900 /nfs/dbraw/zinc/07/19/00/160071900.db2.gz MIKPPBLZZAQCQQ-SNVBAGLBSA-N 0 0 303.405 0.995 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408269473 160072614 /nfs/dbraw/zinc/07/26/14/160072614.db2.gz JTGCRSOFIRVOIM-SNVBAGLBSA-N 0 0 313.379 0.249 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@@H](O)C(C)(C)C3)cnc12 ZINC000408266936 160072915 /nfs/dbraw/zinc/07/29/15/160072915.db2.gz VMWFKSNKRAAGGR-GFCCVEGCSA-N 0 0 301.346 0.846 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000408267737 160072986 /nfs/dbraw/zinc/07/29/86/160072986.db2.gz DUYNWGMUNVHQHM-SNVBAGLBSA-N 0 0 322.386 0.985 10 0 DCAERN C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1N1CCOCC1 ZINC000408274109 160073243 /nfs/dbraw/zinc/07/32/43/160073243.db2.gz WANHTQLXRYSMMM-CHWSQXEVSA-N 0 0 309.410 0.034 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)CC[S@@]1=O ZINC000408272246 160073339 /nfs/dbraw/zinc/07/33/39/160073339.db2.gz AKNNOVNFBMIFBV-NRFANRHFSA-N 0 0 311.407 0.544 10 0 DCAERN C[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1N1CCOCC1 ZINC000408274112 160073583 /nfs/dbraw/zinc/07/35/83/160073583.db2.gz WANHTQLXRYSMMM-STQMWFEESA-N 0 0 309.410 0.034 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000408275321 160074136 /nfs/dbraw/zinc/07/41/36/160074136.db2.gz XSYOZAQGHCLAOO-OAHLLOKOSA-N 0 0 323.324 0.948 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CCC[C@]3(CCCOC3)C2)cn1 ZINC000408274873 160074262 /nfs/dbraw/zinc/07/42/62/160074262.db2.gz PXJNAHUTOJEVPH-HOCLYGCPSA-N 0 0 307.394 0.743 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@@H](CO)O1 ZINC000408276545 160074547 /nfs/dbraw/zinc/07/45/47/160074547.db2.gz JXNQDMDHNGVHHN-KOLCDFICSA-N 0 0 321.333 0.631 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)N1CCOCC1 ZINC000408277376 160075155 /nfs/dbraw/zinc/07/51/55/160075155.db2.gz OIVBGODDGMPEKG-RQJABVFESA-N 0 0 310.394 0.507 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC1=O ZINC000408280854 160075624 /nfs/dbraw/zinc/07/56/24/160075624.db2.gz KULHSVGMWMVIFY-NSHDSACASA-N 0 0 324.402 0.988 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3snnc3C)CCO2)n1 ZINC000408282278 160076243 /nfs/dbraw/zinc/07/62/43/160076243.db2.gz VQGYDFPZZJDIDG-NSHDSACASA-N 0 0 322.394 0.596 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](O)C[C@@H]2C)c1 ZINC000408291968 160077486 /nfs/dbraw/zinc/07/74/86/160077486.db2.gz AXQCNQCFXZVPQI-UWVGGRQHSA-N 0 0 315.395 0.297 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3C[C@H](O)C[C@@H]3C)CC2)n1 ZINC000408295555 160078449 /nfs/dbraw/zinc/07/84/49/160078449.db2.gz VGNIUXBJTXIJNC-WCQYABFASA-N 0 0 320.393 0.683 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 ZINC000408296230 160078814 /nfs/dbraw/zinc/07/88/14/160078814.db2.gz BRLZKQQMMARAMO-BONVTDFDSA-N 0 0 305.334 0.201 10 0 DCAERN CN1CCc2ccc(NC(=O)N3CCO[C@H](CO)C3)cc2C1=O ZINC000408300911 160080016 /nfs/dbraw/zinc/08/00/16/160080016.db2.gz LGTRSTNLWSIOAG-ZDUSSCGKSA-N 0 0 319.361 0.540 10 0 DCAERN Cn1cc([C@H]2CS(=O)(=O)CCN2C(=O)NCC2CC2)cn1 ZINC000408299555 160080223 /nfs/dbraw/zinc/08/02/23/160080223.db2.gz VAFXIGAYIIUKGV-GFCCVEGCSA-N 0 0 312.395 0.311 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@H]1CCN(C(C)=O)C1)CC2 ZINC000408304065 160080928 /nfs/dbraw/zinc/08/09/28/160080928.db2.gz WDRUENLKGRUHFP-STQMWFEESA-N 0 0 323.393 0.592 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1CO ZINC000408307522 160081312 /nfs/dbraw/zinc/08/13/12/160081312.db2.gz SWLTXKWZEXSRSQ-MNOVXSKESA-N 0 0 304.412 0.224 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@](O)(C(F)(F)F)C1)N1CCOCC1 ZINC000408306302 160081340 /nfs/dbraw/zinc/08/13/40/160081340.db2.gz PPRXNTODCGFTOV-CMPLNLGQSA-N 0 0 310.316 0.623 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)C2(O)CCOCC2)C1)N1CCCC1 ZINC000408312564 160083212 /nfs/dbraw/zinc/08/32/12/160083212.db2.gz BKBGUCZRTWMLKT-CYBMUJFWSA-N 0 0 310.394 0.389 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000408312748 160083407 /nfs/dbraw/zinc/08/34/07/160083407.db2.gz CAEWEOJLVQXOEN-NXEZZACHSA-N 0 0 302.396 0.114 10 0 DCAERN Cn1ccc(CNC(=O)N2CCc3c(ncn(C)c3=O)C2)c1 ZINC000408323747 160084905 /nfs/dbraw/zinc/08/49/05/160084905.db2.gz BYLLYAOYMANBOM-UHFFFAOYSA-N 0 0 301.350 0.387 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000408324189 160085442 /nfs/dbraw/zinc/08/54/42/160085442.db2.gz JFOXQDBUSAZJDK-UPJWGTAASA-N 0 0 318.439 0.730 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000408324211 160085454 /nfs/dbraw/zinc/08/54/54/160085454.db2.gz JLCBZXXPWUPAQV-YYJSSNLHSA-N 0 0 311.382 0.671 10 0 DCAERN CCN1CN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1=O ZINC000408334272 160086935 /nfs/dbraw/zinc/08/69/35/160086935.db2.gz MXLHVZCSYSMYGO-QWRGUYRKSA-N 0 0 318.395 0.170 10 0 DCAERN CC(C)(CC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000408334209 160087079 /nfs/dbraw/zinc/08/70/79/160087079.db2.gz MLZREELSBRBFMI-ZETCQYMHSA-N 0 0 302.318 0.854 10 0 DCAERN C[C@H](CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[S@](C)=O ZINC000408337838 160087364 /nfs/dbraw/zinc/08/73/64/160087364.db2.gz IMADSLVRZBSOIQ-FLMCSSBNSA-N 0 0 310.485 0.956 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](OC)C1 ZINC000408345077 160088802 /nfs/dbraw/zinc/08/88/02/160088802.db2.gz FGSSFZLAIWXDIV-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000408348195 160089877 /nfs/dbraw/zinc/08/98/77/160089877.db2.gz FXGQUAZEFCEYAI-NEPJUHHUSA-N 0 0 310.398 0.165 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc(S(N)(=O)=O)c2)CCS1 ZINC000408351606 160090139 /nfs/dbraw/zinc/09/01/39/160090139.db2.gz GUQUJCYELVFGHW-QMMMGPOBSA-N 0 0 301.393 0.307 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408357348 160091564 /nfs/dbraw/zinc/09/15/64/160091564.db2.gz AJNIRKPBUUKPSL-PWSUYJOCSA-N 0 0 308.300 0.771 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000408358176 160091567 /nfs/dbraw/zinc/09/15/67/160091567.db2.gz ZXMPKQYFAODHOZ-YGRLFVJLSA-N 0 0 311.407 0.035 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCCNC1=O ZINC000408371094 160093949 /nfs/dbraw/zinc/09/39/49/160093949.db2.gz UYULVPBDQCIIGZ-VXGBXAGGSA-N 0 0 308.300 0.819 10 0 DCAERN O=C(CN1CCO[C@@H](CO)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000408369104 160093968 /nfs/dbraw/zinc/09/39/68/160093968.db2.gz RJNDCMHKVOCLMA-WDEREUQCSA-N 0 0 310.316 0.480 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCO[C@H](CO)C1 ZINC000408368700 160094074 /nfs/dbraw/zinc/09/40/74/160094074.db2.gz MDRHZZGPRSRHLK-YPMHNXCESA-N 0 0 313.398 0.227 10 0 DCAERN C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@H](C(N)=O)C1 ZINC000408379020 160095355 /nfs/dbraw/zinc/09/53/55/160095355.db2.gz YDKIGSBSFJXLBA-CABZTGNLSA-N 0 0 301.350 0.694 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)CC1=O ZINC000408380891 160095912 /nfs/dbraw/zinc/09/59/12/160095912.db2.gz DQQGAJFIYQPGTN-RYUDHWBXSA-N 0 0 320.397 0.703 10 0 DCAERN Cn1cc(NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)cn1 ZINC000408390463 160098132 /nfs/dbraw/zinc/09/81/32/160098132.db2.gz VVECOUVGCROPQZ-GFCCVEGCSA-N 0 0 303.370 0.674 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000408393974 160099054 /nfs/dbraw/zinc/09/90/54/160099054.db2.gz LSTSYKZINJRXJN-ZYHUDNBSSA-N 0 0 320.455 0.570 10 0 DCAERN COC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000408393039 160099086 /nfs/dbraw/zinc/09/90/86/160099086.db2.gz KZCYIDUTPXQPEL-RWMBFGLXSA-N 0 0 306.428 0.747 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC2CCOCC2)C1 ZINC000408395640 160099962 /nfs/dbraw/zinc/09/99/62/160099962.db2.gz VDVIAHWYKJMYFM-LBPRGKRZSA-N 0 0 319.427 0.277 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000408406666 160102017 /nfs/dbraw/zinc/10/20/17/160102017.db2.gz RRZIJXDHFNYDPC-CHWSQXEVSA-N 0 0 323.397 0.604 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408406042 160102232 /nfs/dbraw/zinc/10/22/32/160102232.db2.gz PBZYMTLOVLRFRS-TUAOUCFPSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H](c1ncc(Br)cn1)N1CCO[C@H](CO)C1 ZINC000408414009 160103658 /nfs/dbraw/zinc/10/36/58/160103658.db2.gz XEUYPCQKQLCMSP-WPRPVWTQSA-N 0 0 302.172 0.993 10 0 DCAERN CC1(C)CCC[C@@](O)(CNC(=O)CN2CSCC2=O)C1 ZINC000408415173 160103755 /nfs/dbraw/zinc/10/37/55/160103755.db2.gz IYCBNJRFSKWLFB-AWEZNQCLSA-N 0 0 300.424 0.967 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CO1 ZINC000408420593 160104385 /nfs/dbraw/zinc/10/43/85/160104385.db2.gz YBZMQEYPWBYVSW-MXWKQRLJSA-N 0 0 306.366 0.640 10 0 DCAERN C[C@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)[C@@H]1CO ZINC000408424811 160105316 /nfs/dbraw/zinc/10/53/16/160105316.db2.gz DGASLIDGAHFDJY-GXFFZTMASA-N 0 0 301.346 0.776 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408435304 160107588 /nfs/dbraw/zinc/10/75/88/160107588.db2.gz WGRMCAAQGGNKAD-MXWKQRLJSA-N 0 0 312.457 0.044 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408435302 160107678 /nfs/dbraw/zinc/10/76/78/160107678.db2.gz WGRMCAAQGGNKAD-AXFHLTTASA-N 0 0 312.457 0.044 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)n1 ZINC000408441781 160108357 /nfs/dbraw/zinc/10/83/57/160108357.db2.gz GODCPCJPKYGVBU-INIZCTEOSA-N 0 0 319.409 0.760 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000408445377 160109497 /nfs/dbraw/zinc/10/94/97/160109497.db2.gz XCGOVJOPUDMOPI-SQWLQELKSA-N 0 0 312.410 0.633 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408456709 160112542 /nfs/dbraw/zinc/11/25/42/160112542.db2.gz KMQDLLIVGGIEFQ-GHMZBOCLSA-N 0 0 313.441 0.108 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC2(CCC2)c2ccccc21 ZINC000408462665 160113509 /nfs/dbraw/zinc/11/35/09/160113509.db2.gz ZKYPYFRAZRVSSV-UHFFFAOYSA-N 0 0 309.391 0.509 10 0 DCAERN CN(C)c1ncc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1 ZINC000408473586 160116623 /nfs/dbraw/zinc/11/66/23/160116623.db2.gz BJTZGUXMCKOWCT-VXGBXAGGSA-N 0 0 316.365 0.992 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCCc2ccsc2)o1 ZINC000048699034 286889875 /nfs/dbraw/zinc/88/98/75/286889875.db2.gz WDYJAVRXCSVQEQ-UHFFFAOYSA-N 0 0 300.361 0.961 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)NCCNS(C)(=O)=O ZINC000056607225 286898568 /nfs/dbraw/zinc/89/85/68/286898568.db2.gz UWGHDBWKZSNKLU-UHFFFAOYSA-N 0 0 317.386 0.559 10 0 DCAERN CCOCCOCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000056983299 286899067 /nfs/dbraw/zinc/89/90/67/286899067.db2.gz YMVWUAFWEWWZHZ-AWEZNQCLSA-N 0 0 312.410 0.804 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O)cc1F ZINC000067839221 286906774 /nfs/dbraw/zinc/90/67/74/286906774.db2.gz JPJSLCXQNIZTSH-RKDXNWHRSA-N 0 0 318.370 0.949 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2C)C1 ZINC000072616818 286911455 /nfs/dbraw/zinc/91/14/55/286911455.db2.gz UASFVKWHGHFIDF-GFCCVEGCSA-N 0 0 304.350 0.456 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)N1CCN(C2CC2)CC1 ZINC000120992140 286953688 /nfs/dbraw/zinc/95/36/88/286953688.db2.gz DFXKNYVTRPNJGY-UHFFFAOYSA-N 0 0 316.405 0.898 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCC2(C3CC3)CC2)cn1 ZINC000128849052 286985265 /nfs/dbraw/zinc/98/52/65/286985265.db2.gz ZHVHLNMNOMTVRM-UHFFFAOYSA-N 0 0 303.366 0.788 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)NCCC1=CCCC1 ZINC000131304491 286999680 /nfs/dbraw/zinc/99/96/80/286999680.db2.gz UEWMFJQBEHBMSV-UHFFFAOYSA-N 0 0 318.439 0.947 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000132360086 287005366 /nfs/dbraw/zinc/00/53/66/287005366.db2.gz UQBWLRASJXNONW-MNOVXSKESA-N 0 0 318.377 0.816 10 0 DCAERN CNC(=O)c1cccc(NC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000131391337 287000126 /nfs/dbraw/zinc/00/01/26/287000126.db2.gz JPZTXMCMLHIYCQ-UHFFFAOYSA-N 0 0 300.318 0.999 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000133698643 287012257 /nfs/dbraw/zinc/01/22/57/287012257.db2.gz PDZFMBNMGGKLAO-UHFFFAOYSA-N 0 0 312.329 0.756 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000135103507 287020165 /nfs/dbraw/zinc/02/01/65/287020165.db2.gz KGSVPCXEAHLLQO-ZDUSSCGKSA-N 0 0 306.293 0.880 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCc1nccn1CC(C)C ZINC000135691607 287024095 /nfs/dbraw/zinc/02/40/95/287024095.db2.gz LHFCLKYOAPCCJU-UHFFFAOYSA-N 0 0 302.400 0.095 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000136762019 287027145 /nfs/dbraw/zinc/02/71/45/287027145.db2.gz IMRACCPEANVLMR-NWDGAFQWSA-N 0 0 312.414 0.588 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1csc(-c2ccoc2)n1 ZINC000152131174 287039102 /nfs/dbraw/zinc/03/91/02/287039102.db2.gz YWQZSXFECXQHKI-QMMMGPOBSA-N 0 0 305.315 0.938 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000152807047 287044500 /nfs/dbraw/zinc/04/45/00/287044500.db2.gz BTPCWSCEBOCNDK-LLVKDONJSA-N 0 0 308.382 0.851 10 0 DCAERN CC[C@H]1CN(CCN2C(=O)CCC2=O)CCN1CC(F)F ZINC000153372389 287049627 /nfs/dbraw/zinc/04/96/27/287049627.db2.gz IQXGGPSFQQQOME-NSHDSACASA-N 0 0 303.353 0.797 10 0 DCAERN C[C@@]1(O)CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000177365252 287054594 /nfs/dbraw/zinc/05/45/94/287054594.db2.gz XKSOLEGJRJQOIS-GOSISDBHSA-N 0 0 317.433 0.788 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c(F)cccc1Cl ZINC000192707349 287059529 /nfs/dbraw/zinc/05/95/29/287059529.db2.gz LOXVYJADDKCDJH-SNVBAGLBSA-N 0 0 316.760 0.902 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H]2C)C1 ZINC000246397094 287082787 /nfs/dbraw/zinc/08/27/87/287082787.db2.gz KQNJRNSKXIJYSZ-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN CN(C(=O)CN1CC(=O)N[C@H]2CCCC[C@H]21)c1nccs1 ZINC000246459879 287083902 /nfs/dbraw/zinc/08/39/02/287083902.db2.gz FRONEHKWMNNVMS-WDEREUQCSA-N 0 0 308.407 0.849 10 0 DCAERN Cc1csc(=O)n1CCN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000246595104 287085863 /nfs/dbraw/zinc/08/58/63/287085863.db2.gz CLCALLJSTBZRSO-MNOVXSKESA-N 0 0 304.437 0.726 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247446338 287093902 /nfs/dbraw/zinc/09/39/02/287093902.db2.gz YMHIVPTUFLSBQQ-HTQZYQBOSA-N 0 0 302.318 0.172 10 0 DCAERN C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977179 287089995 /nfs/dbraw/zinc/08/99/95/287089995.db2.gz FIHUGDAZGYXNSB-QWHCGFSZSA-N 0 0 317.455 0.401 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247190098 287091786 /nfs/dbraw/zinc/09/17/86/287091786.db2.gz VHQIFLVVQZYWIL-NWDGAFQWSA-N 0 0 306.428 0.037 10 0 DCAERN CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000247292828 287092579 /nfs/dbraw/zinc/09/25/79/287092579.db2.gz HJPXCSDDPUOQLI-KBPBESRZSA-N 0 0 324.425 0.883 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248383557 287096576 /nfs/dbraw/zinc/09/65/76/287096576.db2.gz AMHRPEAYGCNEAA-YDHLFZDLSA-N 0 0 313.442 0.451 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000248470658 287097863 /nfs/dbraw/zinc/09/78/63/287097863.db2.gz IDNWSZDKUJWGAD-AHHJTMGVSA-N 0 0 312.457 0.039 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](CC)C1 ZINC000248526817 287098137 /nfs/dbraw/zinc/09/81/37/287098137.db2.gz GJAXHKIJXSPAOW-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN CCCCOC[C@H](O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248656067 287099056 /nfs/dbraw/zinc/09/90/56/287099056.db2.gz RAFIKSLAJDJBMW-UONOGXRCSA-N 0 0 305.440 0.816 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000248896053 287103090 /nfs/dbraw/zinc/10/30/90/287103090.db2.gz XOYXJJDAZUXCFV-UTLUCORTSA-N 0 0 308.300 0.938 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1)N1CCN(CCO)[C@@H](C)C1 ZINC000249534081 287113036 /nfs/dbraw/zinc/11/30/36/287113036.db2.gz BXOYVEVLGVBIRF-LSDHHAIUSA-N 0 0 305.422 0.690 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@H](C)OC)CC[S@]1=O ZINC000249586825 287114997 /nfs/dbraw/zinc/11/49/97/287114997.db2.gz OMPRHYITIHFOSH-BBATYDOGSA-N 0 0 311.469 0.974 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000249507168 287112232 /nfs/dbraw/zinc/11/22/32/287112232.db2.gz HUYSBRPYEXIIOP-QWHCGFSZSA-N 0 0 317.411 0.257 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000249725180 287117714 /nfs/dbraw/zinc/11/77/14/287117714.db2.gz KJPSHCMUUBRMDE-BNOWGMLFSA-N 0 0 321.421 0.747 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)C[C@H]1C ZINC000251858312 287120018 /nfs/dbraw/zinc/12/00/18/287120018.db2.gz RPZAIFWGTUBRGH-QLFBSQMISA-N 0 0 313.442 0.900 10 0 DCAERN C[C@@H](c1ccc(F)c(F)c1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247969188 287135067 /nfs/dbraw/zinc/13/50/67/287135067.db2.gz HCXUFSHGTMPIQJ-ONGXEEELSA-N 0 0 309.316 0.668 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000331251215 287145630 /nfs/dbraw/zinc/14/56/30/287145630.db2.gz XIXLMBRNGBKKID-MRXNPFEDSA-N 0 0 306.362 0.490 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000366514116 287149606 /nfs/dbraw/zinc/14/96/06/287149606.db2.gz IRALYRHJJBHUHW-WZRBSPASSA-N 0 0 305.396 0.216 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C[C@]2(CCOC2)O1 ZINC000329320979 287156547 /nfs/dbraw/zinc/15/65/47/287156547.db2.gz IZQSCAUSHFYODS-YXMPFFBPSA-N 0 0 312.366 0.866 10 0 DCAERN COc1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363874844 287219173 /nfs/dbraw/zinc/21/91/73/287219173.db2.gz JQRPUDMKGNYWKG-CQSZACIVSA-N 0 0 305.378 0.921 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000408355014 287233687 /nfs/dbraw/zinc/23/36/87/287233687.db2.gz PJBATVXLKTWEPL-UTUOFQBUSA-N 0 0 305.444 0.569 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408355632 287233808 /nfs/dbraw/zinc/23/38/08/287233808.db2.gz SYMXOZNQTYNIIX-LBPRGKRZSA-N 0 0 322.427 0.079 10 0 DCAERN O=S1(=O)CC[C@H](N2CCN(Cc3cncs3)CC2)C1 ZINC000408060134 287232857 /nfs/dbraw/zinc/23/28/57/287232857.db2.gz CWQFLDJVDCSQHN-NSHDSACASA-N 0 0 301.437 0.448 10 0 DCAERN Cc1noc(CN2CCN(C(=O)Nc3ccn(C)n3)CC2)n1 ZINC000606567186 412464035 /nfs/dbraw/zinc/46/40/35/412464035.db2.gz PPMAWLDXSJXLRC-UHFFFAOYSA-N 0 0 305.342 0.461 10 0 DCAERN CCCS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000042145359 415208600 /nfs/dbraw/zinc/20/86/00/415208600.db2.gz VYZAMCRINDRKGV-JTQLQIEISA-N 0 0 302.400 0.796 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[C@H](O)C2)c1 ZINC000352583703 415235199 /nfs/dbraw/zinc/23/51/99/415235199.db2.gz NIKBESCFCRSXNX-ZDUSSCGKSA-N 0 0 305.334 0.201 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccsc1 ZINC000046242701 415259485 /nfs/dbraw/zinc/25/94/85/415259485.db2.gz YVTWCNCWZURSBG-NSHDSACASA-N 0 0 302.421 0.831 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)CCn1c2ccccc2oc1=O ZINC000044646984 415226424 /nfs/dbraw/zinc/22/64/24/415226424.db2.gz NXPXYGZSTRYPSZ-LLVKDONJSA-N 0 0 303.318 0.461 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000063096497 415351228 /nfs/dbraw/zinc/35/12/28/415351228.db2.gz SQFKEKYLKBFMPV-NSHDSACASA-N 0 0 314.407 0.981 10 0 DCAERN Cc1cccc(OC[C@@H](O)CNC(=O)NCc2ccnn2C)c1 ZINC000057485063 415339281 /nfs/dbraw/zinc/33/92/81/415339281.db2.gz BPQFJPKITIQSQX-AWEZNQCLSA-N 0 0 318.377 0.968 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000068418668 415395360 /nfs/dbraw/zinc/39/53/60/415395360.db2.gz HIIGSBPZENIXHE-RYUDHWBXSA-N 0 0 318.377 0.921 10 0 DCAERN Cc1cc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cnn1 ZINC000276042152 415416597 /nfs/dbraw/zinc/41/65/97/415416597.db2.gz GSMAJVQHXRLHQA-GFCCVEGCSA-N 0 0 312.395 0.329 10 0 DCAERN Cc1nc(SCC(=O)NCc2cccnc2N(C)C)n[nH]1 ZINC000072953879 415419400 /nfs/dbraw/zinc/41/94/00/415419400.db2.gz KMPBEGXZSHJHJH-UHFFFAOYSA-N 0 0 306.395 0.983 10 0 DCAERN COc1ccnc(NC[C@@H]2CCn3ncc(C(N)=O)c3C2)n1 ZINC000275556116 415377025 /nfs/dbraw/zinc/37/70/25/415377025.db2.gz NQTSKIUSAYAHLK-SECBINFHSA-N 0 0 302.338 0.455 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000083613905 415489355 /nfs/dbraw/zinc/48/93/55/415489355.db2.gz AXTQDZQQEKOLRX-QMMMGPOBSA-N 0 0 304.343 0.561 10 0 DCAERN CC[C@@H](NC(=O)C(=O)NCCCc1ccccc1)C(=O)OC ZINC000084370712 415498074 /nfs/dbraw/zinc/49/80/74/415498074.db2.gz LXZWBXUZAZVSFW-CYBMUJFWSA-N 0 0 306.362 0.803 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)C[C@@H]1c1cnn(C)c1 ZINC000332774427 415469524 /nfs/dbraw/zinc/46/95/24/415469524.db2.gz IMOFKROUKMHEFS-XQLPTFJDSA-N 0 0 316.405 0.754 10 0 DCAERN CCc1nc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cs1 ZINC000333024886 415534889 /nfs/dbraw/zinc/53/48/89/415534889.db2.gz KKTKYVCBBMYXLN-PTOFAABTSA-N 0 0 311.407 0.864 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@@H]3C(N)=O)cc21 ZINC000091783780 415537913 /nfs/dbraw/zinc/53/79/13/415537913.db2.gz PMWRIMFJDGHFEQ-CYBMUJFWSA-N 0 0 305.309 0.942 10 0 DCAERN CC(=O)N(C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O)C1CC1 ZINC000333053424 415541281 /nfs/dbraw/zinc/54/12/81/415541281.db2.gz QVJGQYAMDZNDRU-HOTGVXAUSA-N 0 0 321.421 0.999 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161820 415574478 /nfs/dbraw/zinc/57/44/78/415574478.db2.gz MAHBZSKTLCJBRX-SBJFKYEJSA-N 0 0 316.467 0.892 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)ccc1F ZINC000103322902 415618156 /nfs/dbraw/zinc/61/81/56/415618156.db2.gz JSURBLWESNMYHK-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000333374681 415629627 /nfs/dbraw/zinc/62/96/27/415629627.db2.gz DQUYZGNYCBZQRP-LXZKKBNFSA-N 0 0 304.390 0.917 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)CC(=O)N1C ZINC000282131481 415577472 /nfs/dbraw/zinc/57/74/72/415577472.db2.gz HJXSCZXJFPBIKR-GFCCVEGCSA-N 0 0 302.378 0.985 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)NC3CCCC3)nn2)CC(=O)N1C ZINC000283515186 415590504 /nfs/dbraw/zinc/59/05/04/415590504.db2.gz MSJJPIMHHJJLDW-LLVKDONJSA-N 0 0 317.393 0.816 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CC(=O)N(CC3CC3)C2)CCO1 ZINC000333268999 415597604 /nfs/dbraw/zinc/59/76/04/415597604.db2.gz CDMWUGJJQFZZAG-ZYHUDNBSSA-N 0 0 302.396 0.395 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H](C)O1 ZINC000333467187 415660131 /nfs/dbraw/zinc/66/01/31/415660131.db2.gz HPWYFRZUWKDBOW-QNWJLWSRSA-N 0 0 309.370 0.331 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NC[C@H]1CCCC[C@@H]1O)CCCC2 ZINC000333538959 415678713 /nfs/dbraw/zinc/67/87/13/415678713.db2.gz KSIUHYURCMKPBI-YPMHNXCESA-N 0 0 307.394 0.804 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C3CC3)CC1)CC2 ZINC000114978197 415724456 /nfs/dbraw/zinc/72/44/56/415724456.db2.gz HSKOQWMCELWREI-LBPRGKRZSA-N 0 0 318.425 0.645 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1(O)CCCC1)CC2 ZINC000114975694 415725175 /nfs/dbraw/zinc/72/51/75/415725175.db2.gz DPKFDNQBRJMGKM-NSHDSACASA-N 0 0 307.398 0.760 10 0 DCAERN CCN1C[C@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1=O ZINC000112068334 415703675 /nfs/dbraw/zinc/70/36/75/415703675.db2.gz JXABBRCWLQJJDK-KGLIPLIRSA-N 0 0 320.393 0.287 10 0 DCAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 ZINC000112094245 415704203 /nfs/dbraw/zinc/70/42/03/415704203.db2.gz FFCNOIZSPQCGNA-ZDUSSCGKSA-N 0 0 322.390 0.676 10 0 DCAERN Cn1nnc2c1C[C@H](C(=O)NCc1cn3c(n1)CCCC3)CC2 ZINC000290186509 415773292 /nfs/dbraw/zinc/77/32/92/415773292.db2.gz UFXTXRLXXORCIO-LLVKDONJSA-N 0 0 314.393 0.769 10 0 DCAERN CC[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000120172476 415756605 /nfs/dbraw/zinc/75/66/05/415756605.db2.gz YEINDUMHMHUXAX-NSHDSACASA-N 0 0 314.349 0.859 10 0 DCAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120976028 415790921 /nfs/dbraw/zinc/79/09/21/415790921.db2.gz AGKSOGGPSRFJBY-ZDUSSCGKSA-N 0 0 315.333 0.189 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCO[C@H](C2CCC2)C1 ZINC000334049521 415794008 /nfs/dbraw/zinc/79/40/08/415794008.db2.gz RHBMZSUFDWVSHO-MJBXVCDLSA-N 0 0 321.381 0.429 10 0 DCAERN C[C@H]1[C@@H](CO)CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334048792 415794019 /nfs/dbraw/zinc/79/40/19/415794019.db2.gz QYGGFBOSDIUZGN-QNWHQSFQSA-N 0 0 309.370 0.020 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000121530985 415807271 /nfs/dbraw/zinc/80/72/71/415807271.db2.gz TVKRDSZZLHFEDV-UHFFFAOYSA-N 0 0 306.366 0.864 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cn1 ZINC000121982821 415824201 /nfs/dbraw/zinc/82/42/01/415824201.db2.gz KCCUIZVIQQGPNE-UPJWGTAASA-N 0 0 321.381 0.708 10 0 DCAERN O=C([C@H]1CCC[C@@H]1C(=O)N(CCO)C1CC1)N(CCO)C1CC1 ZINC000128336842 415898527 /nfs/dbraw/zinc/89/85/27/415898527.db2.gz MYTNDJHREGNMRI-GJZGRUSLSA-N 0 0 324.421 0.369 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCS1(=O)=O ZINC000129134424 415904861 /nfs/dbraw/zinc/90/48/61/415904861.db2.gz ZQKHRKCKMIFLQU-RTXFEEFZSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000125326072 415864967 /nfs/dbraw/zinc/86/49/67/415864967.db2.gz OWPJFHDREZXTQG-RWMBFGLXSA-N 0 0 324.425 0.696 10 0 DCAERN Cn1nccc1CCC(=O)NCC(=O)NCCc1ccccc1 ZINC000134138483 415954802 /nfs/dbraw/zinc/95/48/02/415954802.db2.gz QORKKUOXLDVHDP-UHFFFAOYSA-N 0 0 314.389 0.828 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccc(C)o2)[C@H](C)C1 ZINC000297746361 415972197 /nfs/dbraw/zinc/97/21/97/415972197.db2.gz JRCMNYDPWLLQHM-LLVKDONJSA-N 0 0 321.377 0.626 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000344702573 415974127 /nfs/dbraw/zinc/97/41/27/415974127.db2.gz FQKRTHQIZCUODB-KBPBESRZSA-N 0 0 310.369 0.866 10 0 DCAERN CCc1noc(CC)c1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC000153474250 415980281 /nfs/dbraw/zinc/98/02/81/415980281.db2.gz VWPXNFGEFIVVFU-ZDUSSCGKSA-N 0 0 309.366 0.663 10 0 DCAERN CCc1noc2ncc(C(=O)N[C@H]3CCC(=O)NC3=O)cc12 ZINC000153471123 415980519 /nfs/dbraw/zinc/98/05/19/415980519.db2.gz BQNUYQGCQGCQBS-JTQLQIEISA-N 0 0 302.290 0.320 10 0 DCAERN COc1cccc(OCCN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000153870301 415987669 /nfs/dbraw/zinc/98/76/69/415987669.db2.gz FOYGAPODUUSSIM-GFCCVEGCSA-N 0 0 314.407 0.698 10 0 DCAERN CO[C@H](C)c1nc(C)c(C(=O)N2CCN(CCO)CC2)s1 ZINC000154909188 415991557 /nfs/dbraw/zinc/99/15/57/415991557.db2.gz BQSXOOLDHCLJRO-LLVKDONJSA-N 0 0 313.423 0.909 10 0 DCAERN COCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000155157097 415994841 /nfs/dbraw/zinc/99/48/41/415994841.db2.gz RLEUTZHAKPEZFG-UHFFFAOYSA-N 0 0 308.386 0.339 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000156652191 415998027 /nfs/dbraw/zinc/99/80/27/415998027.db2.gz IHYYKCQUQPSTMA-BPUTZDHNSA-N 0 0 319.405 0.948 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172137496 416043476 /nfs/dbraw/zinc/04/34/76/416043476.db2.gz BXQBTUUXQWDWJD-YIBTVLSRSA-N 0 0 304.412 0.222 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccc(Br)cc1 ZINC000172295109 416045532 /nfs/dbraw/zinc/04/55/32/416045532.db2.gz UZZPYYRDPUIWSL-UHFFFAOYSA-N 0 0 300.156 0.776 10 0 DCAERN COCCn1ccc(NS(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000172891036 416049549 /nfs/dbraw/zinc/04/95/49/416049549.db2.gz MTQTVUNNKJPIDH-NSHDSACASA-N 0 0 302.400 0.918 10 0 DCAERN Cc1c(C(=O)N(C)CC(=O)N(C)C)cccc1N1CCNC1=O ZINC000172974498 416051469 /nfs/dbraw/zinc/05/14/69/416051469.db2.gz BUFRTZHNMJQZSL-UHFFFAOYSA-N 0 0 318.377 0.685 10 0 DCAERN CNC(=O)c1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000173067477 416052757 /nfs/dbraw/zinc/05/27/57/416052757.db2.gz AVYDCZUQXOEKLB-LBPRGKRZSA-N 0 0 305.378 0.497 10 0 DCAERN COCc1cc(C(=O)N2CCCN(c3cccnn3)CC2)no1 ZINC000173091156 416052961 /nfs/dbraw/zinc/05/29/61/416052961.db2.gz TWDXOELCEXCSII-UHFFFAOYSA-N 0 0 317.349 0.964 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)CC2CCOCC2)C1 ZINC000173187910 416054107 /nfs/dbraw/zinc/05/41/07/416054107.db2.gz XOTFIWJIDLDNNR-NWDGAFQWSA-N 0 0 304.412 0.377 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000173245598 416055088 /nfs/dbraw/zinc/05/50/88/416055088.db2.gz CPKWYVPPJWZQTD-GWCFXTLKSA-N 0 0 321.425 0.888 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173419942 416058079 /nfs/dbraw/zinc/05/80/79/416058079.db2.gz CSPMCFLYKWZUNK-LBPRGKRZSA-N 0 0 315.443 0.565 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173473592 416058242 /nfs/dbraw/zinc/05/82/42/416058242.db2.gz PFFQNMOIZKPXMI-SECBINFHSA-N 0 0 301.412 0.519 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccccc3O)CCO2)[nH]1 ZINC000173754903 416064067 /nfs/dbraw/zinc/06/40/67/416064067.db2.gz VDSQBMZDTRILNQ-CYBMUJFWSA-N 0 0 302.334 0.961 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000173825556 416065861 /nfs/dbraw/zinc/06/58/61/416065861.db2.gz USICIOIWYZFOEA-UHFFFAOYSA-N 0 0 301.306 0.832 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173907921 416068507 /nfs/dbraw/zinc/06/85/07/416068507.db2.gz BQXWBJSDCGTNEX-UHFFFAOYSA-N 0 0 316.427 0.483 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173865549 416068585 /nfs/dbraw/zinc/06/85/85/416068585.db2.gz HRUFOPHFVLEQHX-WCQYABFASA-N 0 0 321.352 0.602 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000173864075 416068633 /nfs/dbraw/zinc/06/86/33/416068633.db2.gz BFYNAHBOYNWZNB-MFKMUULPSA-N 0 0 303.362 0.820 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)NC[C@H]3CCCO3)CC2)no1 ZINC000173992394 416070648 /nfs/dbraw/zinc/07/06/48/416070648.db2.gz MXCATJAKRVFXHL-CYBMUJFWSA-N 0 0 323.397 0.774 10 0 DCAERN C[C@H](CNC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1F ZINC000174335294 416075204 /nfs/dbraw/zinc/07/52/04/416075204.db2.gz DDHLKFHLVHYZGN-MRVPVSSYSA-N 0 0 311.288 0.736 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000174422678 416076980 /nfs/dbraw/zinc/07/69/80/416076980.db2.gz DEHNYRKAPYDWQJ-MRXNPFEDSA-N 0 0 308.378 0.948 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc(F)cc2F)C1 ZINC000344972898 416018096 /nfs/dbraw/zinc/01/80/96/416018096.db2.gz NURLVEYOGYCQOK-ONGXEEELSA-N 0 0 314.288 0.445 10 0 DCAERN COC(=O)C[C@@H]1CN(S(=O)(=O)Cc2cc(C)on2)CCO1 ZINC000168134696 416023846 /nfs/dbraw/zinc/02/38/46/416023846.db2.gz XPFFMJGVQBFMJE-LLVKDONJSA-N 0 0 318.351 0.077 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCO[C@H](CO)C1 ZINC000168049083 416024911 /nfs/dbraw/zinc/02/49/11/416024911.db2.gz KHZAGLJITZUGNR-VIFPVBQESA-N 0 0 303.156 0.621 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000170743614 416031091 /nfs/dbraw/zinc/03/10/91/416031091.db2.gz MYSFTOACZLTYKA-LLVKDONJSA-N 0 0 317.345 0.741 10 0 DCAERN CCN(CC)C(=O)C1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301545359 416086848 /nfs/dbraw/zinc/08/68/48/416086848.db2.gz WMVJTGDJFFHWIJ-UHFFFAOYSA-N 0 0 305.382 0.660 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1nn(C)cc1Br ZINC000357484716 416087494 /nfs/dbraw/zinc/08/74/94/416087494.db2.gz NDQCMZPDTUVKPE-QMMMGPOBSA-N 0 0 320.187 0.964 10 0 DCAERN CCc1cc(N2C[C@@H](C)O[C@H](C(=O)OC)C2)n2ncnc2n1 ZINC000301655784 416088124 /nfs/dbraw/zinc/08/81/24/416088124.db2.gz RURHZLQWHPYRSQ-KOLCDFICSA-N 0 0 305.338 0.453 10 0 DCAERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cn2cccn2)on1 ZINC000357589030 416102088 /nfs/dbraw/zinc/10/20/88/416102088.db2.gz BEUFWKUXHNRGKN-STQMWFEESA-N 0 0 321.356 0.908 10 0 DCAERN CSCc1cc(C(=O)NCCS(N)(=O)=O)ccc1F ZINC000175310654 416102275 /nfs/dbraw/zinc/10/22/75/416102275.db2.gz MNSDFVBBNWMPQE-UHFFFAOYSA-N 0 0 306.384 0.707 10 0 DCAERN CC[C@H](NC(=O)[C@@H](C)c1cccnc1)C(=O)N1CCOCC1 ZINC000175340840 416104339 /nfs/dbraw/zinc/10/43/39/416104339.db2.gz FTOMHGJKAINFJY-JSGCOSHPSA-N 0 0 305.378 0.939 10 0 DCAERN Cc1cc(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)no1 ZINC000175611977 416110366 /nfs/dbraw/zinc/11/03/66/416110366.db2.gz PTFBENVANPPPBE-GFCCVEGCSA-N 0 0 310.354 0.988 10 0 DCAERN CCN1CCO[C@H](C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675878 416114405 /nfs/dbraw/zinc/11/44/05/416114405.db2.gz OKTINJIXARWGIA-XJKSGUPXSA-N 0 0 312.410 0.504 10 0 DCAERN c1c[nH]c(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)n1 ZINC000357685065 416116506 /nfs/dbraw/zinc/11/65/06/416116506.db2.gz YHDOEUQGHQKKIZ-UHFFFAOYSA-N 0 0 315.381 0.363 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000328602767 416124005 /nfs/dbraw/zinc/12/40/05/416124005.db2.gz CWHRVACVYSJTRA-SNVBAGLBSA-N 0 0 314.411 0.641 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000176354103 416124676 /nfs/dbraw/zinc/12/46/76/416124676.db2.gz LELFJTZRYRIROR-UHFFFAOYSA-N 0 0 324.362 0.957 10 0 DCAERN CC1(C)CN(CCNC(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000176476647 416126944 /nfs/dbraw/zinc/12/69/44/416126944.db2.gz QNQQBTBBYZTNLQ-GFCCVEGCSA-N 0 0 322.413 0.523 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1noc(Cc2ccccc2)n1 ZINC000176480666 416127343 /nfs/dbraw/zinc/12/73/43/416127343.db2.gz VJUSTRGBJIMVCN-JQWIXIFHSA-N 0 0 314.345 0.974 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)n(C)n1 ZINC000176485778 416127612 /nfs/dbraw/zinc/12/76/12/416127612.db2.gz WXZNQGSXZNWWTJ-INIZCTEOSA-N 0 0 324.425 0.357 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1noc(Cc2ccccc2)n1 ZINC000176480681 416127649 /nfs/dbraw/zinc/12/76/49/416127649.db2.gz VJUSTRGBJIMVCN-PWSUYJOCSA-N 0 0 314.345 0.974 10 0 DCAERN Cn1cccc1C(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000357763917 416129731 /nfs/dbraw/zinc/12/97/31/416129731.db2.gz PMOIHOQMIFWPBW-SWLSCSKDSA-N 0 0 320.389 0.892 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000176784643 416135304 /nfs/dbraw/zinc/13/53/04/416135304.db2.gz XGCBZBXTVSBNDX-GFPRJFBKSA-N 0 0 318.377 0.382 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC000176898582 416136818 /nfs/dbraw/zinc/13/68/18/416136818.db2.gz LRMWRZVVPBVPGF-NSHDSACASA-N 0 0 301.412 0.836 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(N(C)C)cc2)C[C@H](C(N)=O)O1 ZINC000177258215 416144659 /nfs/dbraw/zinc/14/46/59/416144659.db2.gz LAPXDNOIOQXRBA-BXUZGUMPSA-N 0 0 320.393 0.266 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177519641 416145679 /nfs/dbraw/zinc/14/56/79/416145679.db2.gz SIEHDAWFSNPGBL-NEPJUHHUSA-N 0 0 314.411 0.490 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)no1 ZINC000329085741 416148309 /nfs/dbraw/zinc/14/83/09/416148309.db2.gz GLZVCLUCLHUGTE-NSHDSACASA-N 0 0 312.333 1.352 10 0 DCAERN CCCN(CC(=O)N(C)C)Cc1csc(CC(=O)NC)n1 ZINC000177577738 416148797 /nfs/dbraw/zinc/14/87/97/416148797.db2.gz IBZQEVFMCOZEAC-UHFFFAOYSA-N 0 0 312.439 0.732 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000177797322 416152874 /nfs/dbraw/zinc/15/28/74/416152874.db2.gz NTIUMKWJGRWTQZ-UWVGGRQHSA-N 0 0 302.334 0.701 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@@H](C)CO)CC2)n1 ZINC000178589318 416166270 /nfs/dbraw/zinc/16/62/70/416166270.db2.gz BNMCFEXDFLPSBR-LLVKDONJSA-N 0 0 308.382 0.446 10 0 DCAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cnc2ccccn2c1=O ZINC000151091558 196628946 /nfs/dbraw/zinc/62/89/46/196628946.db2.gz OBBAPIDMEVXATI-YPMHNXCESA-N 0 0 301.346 0.975 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCOCC23CCC3)c1 ZINC000178716918 416170951 /nfs/dbraw/zinc/17/09/51/416170951.db2.gz FWANWAQFBRYVHE-UHFFFAOYSA-N 0 0 310.375 0.729 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408453437 287325517 /nfs/dbraw/zinc/32/55/17/287325517.db2.gz RRMUCLDWNTZXMK-ZIBATOQPSA-N 0 0 309.366 0.392 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000178953280 416178268 /nfs/dbraw/zinc/17/82/68/416178268.db2.gz BDOHAMYSPZWNCT-GFCCVEGCSA-N 0 0 310.402 0.337 10 0 DCAERN CC[C@H](C)OCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179025453 416180414 /nfs/dbraw/zinc/18/04/14/416180414.db2.gz XRZYKMPDZIHJQV-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000179137268 416182362 /nfs/dbraw/zinc/18/23/62/416182362.db2.gz VNCURERJPCIWST-QYJAPNMZSA-N 0 0 306.366 0.286 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179340230 416184305 /nfs/dbraw/zinc/18/43/05/416184305.db2.gz FCGVSGOTEJZIQE-MNOVXSKESA-N 0 0 312.395 0.683 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000179417375 416186700 /nfs/dbraw/zinc/18/67/00/416186700.db2.gz IEIBDCNCHYHGOE-SNVBAGLBSA-N 0 0 311.407 0.376 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)NC1CCN(c2ccccn2)CC1 ZINC000179522712 416189283 /nfs/dbraw/zinc/18/92/83/416189283.db2.gz BPSDGJLPQQTOPL-INIZCTEOSA-N 0 0 320.393 0.501 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cn1 ZINC000179557092 416190047 /nfs/dbraw/zinc/19/00/47/416190047.db2.gz FXUAAJIHJZBLDG-HZSPNIEDSA-N 0 0 321.377 0.881 10 0 DCAERN COc1ccc(CCNC(=O)Cn2ncn(C)c2=O)c(Cl)c1 ZINC000179545842 416190061 /nfs/dbraw/zinc/19/00/61/416190061.db2.gz CQMYBGQZUMUJRN-UHFFFAOYSA-N 0 0 324.768 0.603 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179586173 416191338 /nfs/dbraw/zinc/19/13/38/416191338.db2.gz OMCZYEYIMBAYGQ-LLVKDONJSA-N 0 0 306.366 0.791 10 0 DCAERN Cc1c([C@@H]2[C@H](C(=O)N3CCC[C@@H](O)C3)CC(=O)N2C)cnn1C ZINC000329918802 416193280 /nfs/dbraw/zinc/19/32/80/416193280.db2.gz AKBVODWTUGWWFN-JMSVASOKSA-N 0 0 320.393 0.231 10 0 DCAERN CN(C)c1nc(CS(=O)(=O)c2n[nH]c(C3CC3)n2)ns1 ZINC000180209490 416194264 /nfs/dbraw/zinc/19/42/64/416194264.db2.gz VPKPABGYDFXWCW-UHFFFAOYSA-N 0 0 314.396 0.574 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCCCOCCO)s2)cn1 ZINC000180389667 416195659 /nfs/dbraw/zinc/19/56/59/416195659.db2.gz QDMUTIONJDGVCY-UHFFFAOYSA-N 0 0 310.379 0.672 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]cc32)O1 ZINC000180694129 416198702 /nfs/dbraw/zinc/19/87/02/416198702.db2.gz UPYQVEGPGDTMDF-WDMOLILDSA-N 0 0 320.393 0.582 10 0 DCAERN C[C@H](CNC(=O)Nc1nc2ccccn2n1)N1CCOCC1 ZINC000183048795 416234041 /nfs/dbraw/zinc/23/40/41/416234041.db2.gz ISWFRPUVXJJXFL-LLVKDONJSA-N 0 0 304.354 0.572 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)ccc1C ZINC000180598680 416200142 /nfs/dbraw/zinc/20/01/42/416200142.db2.gz OAUCSJMQIPKNCM-OAHLLOKOSA-N 0 0 319.405 0.943 10 0 DCAERN Cc1ccnc2c1NC(=O)CN2C(=O)CN1CCCCC1=O ZINC000180856196 416200480 /nfs/dbraw/zinc/20/04/80/416200480.db2.gz NQCXLPMFKAFOCJ-UHFFFAOYSA-N 0 0 302.334 0.688 10 0 DCAERN COC[C@@H](CNC(=O)NCCCc1nnc2ccccn21)OC ZINC000358138115 416201129 /nfs/dbraw/zinc/20/11/29/416201129.db2.gz PEEZOQIFRSEZBG-GFCCVEGCSA-N 0 0 321.381 0.623 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000181065296 416204975 /nfs/dbraw/zinc/20/49/75/416204975.db2.gz NSOSFBFUPXOMRE-IAQYHMDHSA-N 0 0 304.346 0.526 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NCc2ncoc2C)n1 ZINC000358194206 416209658 /nfs/dbraw/zinc/20/96/58/416209658.db2.gz OBEGWNMNQTUGIO-UHFFFAOYSA-N 0 0 318.333 0.362 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N(CCO)C1CC1)CC2 ZINC000181751975 416211464 /nfs/dbraw/zinc/21/14/64/416211464.db2.gz QMWDKYLJRCTBKX-LLVKDONJSA-N 0 0 307.398 0.883 10 0 DCAERN COCC(=O)N1CCc2c1cccc2NC(=O)CC[S@](C)=O ZINC000181986114 416214618 /nfs/dbraw/zinc/21/46/18/416214618.db2.gz HCSNQQMJOMUKKF-QFIPXVFZSA-N 0 0 324.402 0.929 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(O)cc1O)CC2 ZINC000182451028 416222861 /nfs/dbraw/zinc/22/28/61/416222861.db2.gz IYSDKCXHFNFMIO-SECBINFHSA-N 0 0 302.334 0.997 10 0 DCAERN CC(C)(O)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182534510 416224851 /nfs/dbraw/zinc/22/48/51/416224851.db2.gz NRFLCEFJJILIQK-LBPRGKRZSA-N 0 0 306.366 0.647 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@H]2CCCOCC2)n1 ZINC000358340856 416225076 /nfs/dbraw/zinc/22/50/76/416225076.db2.gz QKWFGCCFIKATJY-ZDUSSCGKSA-N 0 0 321.377 0.434 10 0 DCAERN COCCN(CC(=O)OC)C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000358359841 416228748 /nfs/dbraw/zinc/22/87/48/416228748.db2.gz UMFVQZNGZGWELF-LBPRGKRZSA-N 0 0 322.361 0.453 10 0 DCAERN CC[C@@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)OC ZINC000358362710 416230024 /nfs/dbraw/zinc/23/00/24/416230024.db2.gz XDPIEGVNEYPWJX-QWHCGFSZSA-N 0 0 313.398 0.491 10 0 DCAERN COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC000178172604 416157890 /nfs/dbraw/zinc/15/78/90/416157890.db2.gz XGSDOAMKOICSTO-JTQLQIEISA-N 0 0 315.333 0.483 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC000357947848 416158025 /nfs/dbraw/zinc/15/80/25/416158025.db2.gz ZJTKKXFANRUBAF-GXTWGEPZSA-N 0 0 309.410 0.714 10 0 DCAERN CCS(=O)(=O)NCCN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178514291 416164845 /nfs/dbraw/zinc/16/48/45/416164845.db2.gz ZBCRIESSVIWOOG-LLVKDONJSA-N 0 0 306.428 0.589 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCO1 ZINC000183545711 416245626 /nfs/dbraw/zinc/24/56/26/416245626.db2.gz UNCLKGPNFYZQSF-JTQLQIEISA-N 0 0 324.381 0.273 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000183733155 416249236 /nfs/dbraw/zinc/24/92/36/416249236.db2.gz RPCYYNSNJLOYBD-CYBMUJFWSA-N 0 0 309.341 0.853 10 0 DCAERN CCS(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183747926 416249925 /nfs/dbraw/zinc/24/99/25/416249925.db2.gz YTHKMCQUVGOGPW-UHFFFAOYSA-N 0 0 303.359 0.497 10 0 DCAERN C[C@]1(O)CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000185798117 416254232 /nfs/dbraw/zinc/25/42/32/416254232.db2.gz VKYASVGFIZIXEW-BBRMVZONSA-N 0 0 318.377 0.743 10 0 DCAERN CCOCc1ccccc1CNC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185176353 416254953 /nfs/dbraw/zinc/25/49/53/416254953.db2.gz WGZVIZYNRGRYQZ-CVEARBPZSA-N 0 0 322.405 0.267 10 0 DCAERN Cc1cc(N2CCN(CC(=O)Nc3nccs3)CC2)n[nH]1 ZINC000187218985 416260764 /nfs/dbraw/zinc/26/07/64/416260764.db2.gz CXFPOSKAHKONJE-UHFFFAOYSA-N 0 0 306.395 0.935 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)n[nH]1 ZINC000187171783 416261085 /nfs/dbraw/zinc/26/10/85/416261085.db2.gz HLPAIGBYPPXHKR-LBPRGKRZSA-N 0 0 322.413 0.463 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000189819407 416271482 /nfs/dbraw/zinc/27/14/82/416271482.db2.gz BQMGLOUGIHFOSO-RKDXNWHRSA-N 0 0 321.299 0.134 10 0 DCAERN Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)O2)ccc1=O ZINC000190122820 416275590 /nfs/dbraw/zinc/27/55/90/416275590.db2.gz YAIASVOYXBKGTG-NSHDSACASA-N 0 0 307.350 0.398 10 0 DCAERN C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCS(=O)(=O)C1 ZINC000192117201 416300128 /nfs/dbraw/zinc/30/01/28/416300128.db2.gz VDHDQLZPBOTXMY-LLVKDONJSA-N 0 0 324.406 0.942 10 0 DCAERN COc1ccnc(N2CCN(Cc3nnc(C)n3C)CC2)n1 ZINC000193500292 416317471 /nfs/dbraw/zinc/31/74/71/416317471.db2.gz UKQRIQMSPQPWOP-UHFFFAOYSA-N 0 0 303.370 0.244 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000194048681 416321662 /nfs/dbraw/zinc/32/16/62/416321662.db2.gz QMQHVSOTZPEPRG-VHSKPIJISA-N 0 0 309.288 0.220 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000190979296 416283426 /nfs/dbraw/zinc/28/34/26/416283426.db2.gz XVPWQKZFXGAOAA-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN CN1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000191108947 416284141 /nfs/dbraw/zinc/28/41/41/416284141.db2.gz NTYBYQMUAUVTNL-UHFFFAOYSA-N 0 0 308.382 0.015 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000191971432 416293215 /nfs/dbraw/zinc/29/32/15/416293215.db2.gz LTKHRBMWKUTFMA-JTQLQIEISA-N 0 0 321.381 0.435 10 0 DCAERN CCc1cnc(CCNS(=O)(=O)[C@H](C)C(=O)N(C)C)s1 ZINC000192023625 416296814 /nfs/dbraw/zinc/29/68/14/416296814.db2.gz YGIYBYZEORUNFC-SECBINFHSA-N 0 0 319.452 0.644 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261856515 416336013 /nfs/dbraw/zinc/33/60/13/416336013.db2.gz WAXQGGBENRIUQC-ZDUSSCGKSA-N 0 0 311.407 0.378 10 0 DCAERN CCC[C@H]1CNCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000262378930 416336694 /nfs/dbraw/zinc/33/66/94/416336694.db2.gz XNMOBROGIHUPMQ-VIFPVBQESA-N 0 0 306.819 0.836 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2cccc(F)c2F)CC1 ZINC000265161998 416340230 /nfs/dbraw/zinc/34/02/30/416340230.db2.gz GHXYUVFBHRQBDK-SNVBAGLBSA-N 0 0 309.316 0.750 10 0 DCAERN COc1ccc(CNC(=O)C(=O)N(C)CCCO)cc1Cl ZINC000359383775 416344690 /nfs/dbraw/zinc/34/46/90/416344690.db2.gz YYHDMGWMBPWKOC-UHFFFAOYSA-N 0 0 314.769 0.806 10 0 DCAERN Cn1nnnc1SCCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359432699 416345813 /nfs/dbraw/zinc/34/58/13/416345813.db2.gz WREFGRIFVJWOHY-UHFFFAOYSA-N 0 0 317.378 0.885 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)[C@@H]2CN(CC)CCO2)no1 ZINC000359490984 416348027 /nfs/dbraw/zinc/34/80/27/416348027.db2.gz CAOWZEHJXZBMBZ-QWRGUYRKSA-N 0 0 312.370 0.504 10 0 DCAERN Cc1ccc2ncc(C(=O)NC[C@H](CO)C3CC3)c(=O)n2c1 ZINC000359775786 416357601 /nfs/dbraw/zinc/35/76/01/416357601.db2.gz SZUZDFHSPOIEAP-GFCCVEGCSA-N 0 0 301.346 0.751 10 0 DCAERN CC1=C(C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@@H](C)n2ncnc2N1C ZINC000195273903 416325907 /nfs/dbraw/zinc/32/59/07/416325907.db2.gz WOAKWNDUVRNPKI-GHMZBOCLSA-N 0 0 318.381 0.300 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccn(C)c1C ZINC000195252808 416326002 /nfs/dbraw/zinc/32/60/02/416326002.db2.gz URGJAFWSTQKHSK-UHFFFAOYSA-N 0 0 323.393 0.281 10 0 DCAERN Cc1csc([C@@H]2CN(CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396634 416326231 /nfs/dbraw/zinc/32/62/31/416326231.db2.gz JSPORNGVTVTTTG-JTQLQIEISA-N 0 0 312.395 0.800 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000237765697 416328545 /nfs/dbraw/zinc/32/85/45/416328545.db2.gz VUTHJSXRQVGCRC-VIFPVBQESA-N 0 0 313.295 0.019 10 0 DCAERN COc1ccc(OC)c2c1CN([C@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810055 416332161 /nfs/dbraw/zinc/33/21/61/416332161.db2.gz BKCPEQIDYBPCJI-RYUDHWBXSA-N 0 0 306.362 0.784 10 0 DCAERN O=C(Cn1cccnc1=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000359900641 416365728 /nfs/dbraw/zinc/36/57/28/416365728.db2.gz BCQRBBFIEGMSOO-ZDUSSCGKSA-N 0 0 312.329 0.165 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC[C@@H](CO)C1CC1 ZINC000359822709 416360691 /nfs/dbraw/zinc/36/06/91/416360691.db2.gz NPHOWCKZTWTGKD-XJKSGUPXSA-N 0 0 308.378 0.042 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NC[C@H](CO)C1CC1 ZINC000359821462 416361016 /nfs/dbraw/zinc/36/10/16/416361016.db2.gz LHEWGQJSNQEPKM-LLVKDONJSA-N 0 0 312.316 0.829 10 0 DCAERN NC(=O)c1nccnc1C(=O)NCc1ccccc1-n1cccn1 ZINC000360388637 416388122 /nfs/dbraw/zinc/38/81/22/416388122.db2.gz IEHQHPSYDQRTDA-UHFFFAOYSA-N 0 0 322.328 0.691 10 0 DCAERN COCCn1cc(C(=O)N2CCN(C(C)=O)C[C@H]2C)c(C)n1 ZINC000360532160 416394897 /nfs/dbraw/zinc/39/48/97/416394897.db2.gz ILHVAFIPZSFDQT-LLVKDONJSA-N 0 0 308.382 0.531 10 0 DCAERN COc1ccnc(N2CC[C@@H](Nc3ccc4nccn4n3)C2)n1 ZINC000434184298 416461825 /nfs/dbraw/zinc/46/18/25/416461825.db2.gz SFDLXYXUAAKKLZ-LLVKDONJSA-N 0 0 311.349 1.219 10 0 DCAERN Cc1cccc(C)c1CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458547012 416479516 /nfs/dbraw/zinc/47/95/16/416479516.db2.gz HVZOJNKNUKMQNG-CQSZACIVSA-N 0 0 317.393 0.798 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H](O)C(F)(F)F ZINC000361712141 416481688 /nfs/dbraw/zinc/48/16/88/416481688.db2.gz OVSNCLPCGBYTBF-MRVPVSSYSA-N 0 0 322.287 0.521 10 0 DCAERN CC(C)C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361132413 416422824 /nfs/dbraw/zinc/42/28/24/416422824.db2.gz PLWMPVWCXFINJY-OLZOCXBDSA-N 0 0 300.399 0.537 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)OC)C2)nc1 ZINC000361171552 416424456 /nfs/dbraw/zinc/42/44/56/416424456.db2.gz NNNFLRXCWGMZJC-SNVBAGLBSA-N 0 0 313.379 0.379 10 0 DCAERN Cn1cnc(CCNC(=O)N2CCC[C@](O)(C(F)(F)F)C2)n1 ZINC000361208008 416425947 /nfs/dbraw/zinc/42/59/47/416425947.db2.gz DRFPJJBCCVASSS-LLVKDONJSA-N 0 0 321.303 0.456 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC ZINC000361420900 416434968 /nfs/dbraw/zinc/43/49/68/416434968.db2.gz QAKZJLMLGSULGB-MALLOTDXSA-N 0 0 301.368 0.596 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)NCCN1CCC1)c2O ZINC000532790610 416455581 /nfs/dbraw/zinc/45/55/81/416455581.db2.gz DNDOKRYMYJFFIL-UHFFFAOYSA-N 0 0 301.346 0.972 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000535596657 416523993 /nfs/dbraw/zinc/52/39/93/416523993.db2.gz BNMXNOGRMFQBLB-UHFFFAOYSA-N 0 0 312.337 0.127 10 0 DCAERN Cn1ccc(CNC(=O)N2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000535745185 416527491 /nfs/dbraw/zinc/52/74/91/416527491.db2.gz VRTLSQKVCNMQRN-UHFFFAOYSA-N 0 0 317.397 0.181 10 0 DCAERN CNC(=O)[C@@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536955942 416549432 /nfs/dbraw/zinc/54/94/32/416549432.db2.gz WEWSTIWXRGCMDU-OAHLLOKOSA-N 0 0 313.398 0.444 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N1CC[C@H](O)C1 ZINC000537010270 416552893 /nfs/dbraw/zinc/55/28/93/416552893.db2.gz VPUXMJZZLQHPLE-AWEZNQCLSA-N 0 0 319.361 0.055 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)CC1=O ZINC000534528884 416505034 /nfs/dbraw/zinc/50/50/34/416505034.db2.gz KTFDSMUOCLIFCH-ZDUSSCGKSA-N 0 0 319.409 0.614 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000534992781 416511506 /nfs/dbraw/zinc/51/15/06/416511506.db2.gz BVPZFEWBDSFWCU-QMMMGPOBSA-N 0 0 312.292 0.408 10 0 DCAERN C[C@H](Oc1ccc(F)cc1)C(=O)NCCn1cnccc1=O ZINC000585238026 416519587 /nfs/dbraw/zinc/51/95/87/416519587.db2.gz FJPQQSZENLMNMF-NSHDSACASA-N 0 0 305.309 0.966 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ccnc(C(C)C)n1 ZINC000362670678 416568955 /nfs/dbraw/zinc/56/89/55/416568955.db2.gz WOWBBQRADAMTHC-GHMZBOCLSA-N 0 0 308.382 1.468 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C[C@@H]1O ZINC000439845665 416620885 /nfs/dbraw/zinc/62/08/85/416620885.db2.gz ZFBCLTWEXUAAQP-GWCFXTLKSA-N 0 0 317.345 0.201 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CCC[C@H](O)C2)CC1 ZINC000439715436 416621643 /nfs/dbraw/zinc/62/16/43/416621643.db2.gz DZFJQSHQRIZRNY-STQMWFEESA-N 0 0 312.410 0.633 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OCC ZINC000440089164 416624795 /nfs/dbraw/zinc/62/47/95/416624795.db2.gz CUBXBYOEBDLEAB-HQVCXTMKSA-N 0 0 321.395 0.613 10 0 DCAERN C/C=C/C[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089570 416625706 /nfs/dbraw/zinc/62/57/06/416625706.db2.gz DQRPLVUNENKHRO-JOAKQRRISA-N 0 0 302.352 0.992 10 0 DCAERN CC[C@H](CCO)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440068905 416625938 /nfs/dbraw/zinc/62/59/38/416625938.db2.gz FJUNHUWBSHXDTI-LLVKDONJSA-N 0 0 319.361 0.639 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCCO1 ZINC000440119731 416627189 /nfs/dbraw/zinc/62/71/89/416627189.db2.gz QRRXOGPJCOQEOO-NSHDSACASA-N 0 0 323.397 0.999 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H]1C ZINC000440378897 416631879 /nfs/dbraw/zinc/63/18/79/416631879.db2.gz HBDJWMHWNZNABY-NXEZZACHSA-N 0 0 309.370 0.607 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)[C@H](C)NC(C)=O)(C(=O)OC)C1(C)C ZINC000440852965 416651173 /nfs/dbraw/zinc/65/11/73/416651173.db2.gz ZDZKKODIJLCISI-ISOBSLSZSA-N 0 0 314.382 0.374 10 0 DCAERN CN(C)c1nccc(NCC(C)(C)N2CCS(=O)CC2)n1 ZINC000610278915 416656414 /nfs/dbraw/zinc/65/64/14/416656414.db2.gz QOBVZGKLFADCCK-UHFFFAOYSA-N 0 0 311.455 0.797 10 0 DCAERN COc1cccc(CCNC(=O)Nc2nnc3ccccn32)n1 ZINC000441217766 416664136 /nfs/dbraw/zinc/66/41/36/416664136.db2.gz JUKQRDIMRUUSJU-UHFFFAOYSA-N 0 0 312.333 1.497 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000441233247 416666258 /nfs/dbraw/zinc/66/62/58/416666258.db2.gz MLRSNSTVANNKNU-YTEVENLXSA-N 0 0 322.386 0.587 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N(C)CCCO)cc1C(=O)N(C)C ZINC000443275764 416748027 /nfs/dbraw/zinc/74/80/27/416748027.db2.gz WVORVLKLXQQMEN-UHFFFAOYSA-N 0 0 321.377 0.476 10 0 DCAERN C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000442591561 416697301 /nfs/dbraw/zinc/69/73/01/416697301.db2.gz IQCFJZQDSRJRJT-GFCCVEGCSA-N 0 0 320.393 0.755 10 0 DCAERN C[C@@H](O)CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@@H](C)CO ZINC000442703775 416706628 /nfs/dbraw/zinc/70/66/28/416706628.db2.gz JRRWWEQMFYUXQW-WDEREUQCSA-N 0 0 311.382 0.411 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)Cn2cncn2)(C(=O)OC)C1(C)C ZINC000614903473 416722951 /nfs/dbraw/zinc/72/29/51/416722951.db2.gz RCQMBBOXDZTTLC-HZMBPMFUSA-N 0 0 310.354 0.141 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000443348294 416755509 /nfs/dbraw/zinc/75/55/09/416755509.db2.gz ARGYHUAEAMSDLH-UHFFFAOYSA-N 0 0 308.260 0.218 10 0 DCAERN COc1cccc(OC)c1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000369389036 416763734 /nfs/dbraw/zinc/76/37/34/416763734.db2.gz KXLDTFXHYHISRV-LBPRGKRZSA-N 0 0 306.362 0.860 10 0 DCAERN CC(=O)CSCC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000426450049 416768146 /nfs/dbraw/zinc/76/81/46/416768146.db2.gz WJYLGSKMJNALTF-UHFFFAOYSA-N 0 0 320.480 0.268 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC(CN2CCOCC2)C1 ZINC000615146903 416773242 /nfs/dbraw/zinc/77/32/42/416773242.db2.gz XESLDAVDWINYGP-HNNXBMFYSA-N 0 0 309.410 0.178 10 0 DCAERN Cn1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000558922997 416796881 /nfs/dbraw/zinc/79/68/81/416796881.db2.gz POYSVYHTGPJNOM-IUODEOHRSA-N 0 0 307.394 0.647 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCn2ncnc2C1 ZINC000558957228 416798739 /nfs/dbraw/zinc/79/87/39/416798739.db2.gz MBJDQIUTYICTOA-LLVKDONJSA-N 0 0 301.354 0.614 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCCOCC2CCC2)cn1 ZINC000518637868 416865521 /nfs/dbraw/zinc/86/55/21/416865521.db2.gz WPLJOIRWZNVHRH-UHFFFAOYSA-N 0 0 313.379 0.276 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1C(=O)CCNS(C)(=O)=O ZINC000518767691 416871689 /nfs/dbraw/zinc/87/16/89/416871689.db2.gz LRUPCQKTQBQVQL-GFCCVEGCSA-N 0 0 314.411 0.413 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)CCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444551068 416846329 /nfs/dbraw/zinc/84/63/29/416846329.db2.gz QMWURVRDSQVDPX-MEBBXXQBSA-N 0 0 315.366 0.803 10 0 DCAERN c1cc(N[C@H]2CCO[C@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000373395064 416957576 /nfs/dbraw/zinc/95/75/76/416957576.db2.gz WPSLLSDFSQMAMC-XJKSGUPXSA-N 0 0 320.393 1.063 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2ccc(OCC(N)=O)cc2)C1=O ZINC000445893185 416902244 /nfs/dbraw/zinc/90/22/44/416902244.db2.gz IEOQAILQCBMLNP-ZZKXABKFSA-N 0 0 303.318 0.942 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)Cn1cnc(N)n1)CC2 ZINC000632114964 416915469 /nfs/dbraw/zinc/91/54/69/416915469.db2.gz DSWRDZHOWMYDHA-UHFFFAOYSA-N 0 0 313.361 0.690 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328890455 287339026 /nfs/dbraw/zinc/33/90/26/287339026.db2.gz RRLATVAYQNFAIN-UPJWGTAASA-N 0 0 308.382 0.920 10 0 DCAERN COC(=O)CN1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000616013121 416952381 /nfs/dbraw/zinc/95/23/81/416952381.db2.gz XMARMCGZVZKAAV-UHFFFAOYSA-N 0 0 310.375 0.236 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H]2CC2(C)C)C1 ZINC000447689129 417019655 /nfs/dbraw/zinc/01/96/55/417019655.db2.gz OHDCACVNNYMIMC-YNEHKIRRSA-N 0 0 300.399 0.840 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000376714449 417035257 /nfs/dbraw/zinc/03/52/57/417035257.db2.gz BRBNGOYFVDMWLM-JHJVBQTASA-N 0 0 305.444 0.129 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000624262160 416992293 /nfs/dbraw/zinc/99/22/93/416992293.db2.gz JMRRJPULYHZXQR-SRVKXCTJSA-N 0 0 304.412 0.078 10 0 DCAERN O=C(CN1CSCC1=O)N1CCC(=O)Nc2ccccc21 ZINC000522867074 417069334 /nfs/dbraw/zinc/06/93/34/417069334.db2.gz LINRLZOSQGHDPK-UHFFFAOYSA-N 0 0 305.359 0.895 10 0 DCAERN O=C(NCCOCCO)c1ccc(-c2ccccn2)[nH]c1=O ZINC000448351928 417072174 /nfs/dbraw/zinc/07/21/74/417072174.db2.gz SMGPEAGUQAQRKQ-UHFFFAOYSA-N 0 0 303.318 0.588 10 0 DCAERN Nc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cn1 ZINC000616604633 417082845 /nfs/dbraw/zinc/08/28/45/417082845.db2.gz XWLCYFNQOMFJHJ-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN CC(=O)Nc1ccccc1[C@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616594980 417084404 /nfs/dbraw/zinc/08/44/04/417084404.db2.gz UKUDWFBKEMGMRM-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](c2cnno2)C1 ZINC000616592565 417084638 /nfs/dbraw/zinc/08/46/38/417084638.db2.gz CCQLCWGKYYITQP-LLVKDONJSA-N 0 0 309.347 0.874 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](c2nnc[nH]2)C1 ZINC000616593217 417084944 /nfs/dbraw/zinc/08/49/44/417084944.db2.gz IODCDRLNXNJJTM-LLVKDONJSA-N 0 0 308.363 0.609 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616595189 417085306 /nfs/dbraw/zinc/08/53/06/417085306.db2.gz UASUNKZGFFLWLA-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616650694 417086773 /nfs/dbraw/zinc/08/67/73/417086773.db2.gz ISCJBZKOPIRTQP-JTQLQIEISA-N 0 0 308.400 0.861 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2CNCCN2S(C)(=O)=O)cc1 ZINC000616638928 417088011 /nfs/dbraw/zinc/08/80/11/417088011.db2.gz NQQIZJXMDGTOMU-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2cn[nH]n2)C1 ZINC000616663321 417089176 /nfs/dbraw/zinc/08/91/76/417089176.db2.gz OBSVCBWLOGOYOV-NSHDSACASA-N 0 0 308.363 0.609 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616663227 417089437 /nfs/dbraw/zinc/08/94/37/417089437.db2.gz MRCOXGJVGOVTAR-LBPRGKRZSA-N 0 0 308.363 0.249 10 0 DCAERN CS(=O)(=O)N1CCCO[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616654987 417091460 /nfs/dbraw/zinc/09/14/60/417091460.db2.gz PWDCQRCXWWCMQD-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1cccc2ccnnc21 ZINC000616661501 417091551 /nfs/dbraw/zinc/09/15/51/417091551.db2.gz UBFLNBCASMSAKL-GFCCVEGCSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616654935 417091616 /nfs/dbraw/zinc/09/16/16/417091616.db2.gz MBPDPTWBBVJVCM-NSHDSACASA-N 0 0 322.427 0.952 10 0 DCAERN Nc1ncccc1[C@@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682171 417093286 /nfs/dbraw/zinc/09/32/86/417093286.db2.gz DTWMWQOFMMFQIS-LBPRGKRZSA-N 0 0 305.363 0.841 10 0 DCAERN COc1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1 ZINC000404210043 417117203 /nfs/dbraw/zinc/11/72/03/417117203.db2.gz UHVGYZPAUJOYSC-ZDUSSCGKSA-N 0 0 301.364 0.515 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1nscc1Br ZINC000404887705 417121090 /nfs/dbraw/zinc/12/10/90/417121090.db2.gz GLSBBYPVSWJHPL-RXMQYKEDSA-N 0 0 318.152 0.441 10 0 DCAERN O=C(N[C@@]1(CO)CCOC1)c1nscc1Br ZINC000404939348 417121488 /nfs/dbraw/zinc/12/14/88/417121488.db2.gz LIYPHMGAIZANAL-SECBINFHSA-N 0 0 307.169 0.787 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1nscc1Br ZINC000404816559 417121820 /nfs/dbraw/zinc/12/18/20/417121820.db2.gz KNFIRPYCYVGTCV-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408019215 417132558 /nfs/dbraw/zinc/13/25/58/417132558.db2.gz XEZRHGVLGQUDIT-SRVKXCTJSA-N 0 0 304.412 0.461 10 0 DCAERN CN(C)c1nc(C(=O)N2CCC3(C2)CCOCC3)cc(=O)[nH]1 ZINC000407989313 417134211 /nfs/dbraw/zinc/13/42/11/417134211.db2.gz JECVZPQHDIOAPG-UHFFFAOYSA-N 0 0 306.366 0.891 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000408135845 417143963 /nfs/dbraw/zinc/14/39/63/417143963.db2.gz ZFXSBJVTRHYZLG-TUAOUCFPSA-N 0 0 303.424 0.677 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408201366 417146275 /nfs/dbraw/zinc/14/62/75/417146275.db2.gz DWOHZQICGZBHTO-LXTVHRRPSA-N 0 0 323.437 0.470 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408203529 417147553 /nfs/dbraw/zinc/14/75/53/417147553.db2.gz DCXNAGCAJOJFTF-NXEZZACHSA-N 0 0 317.411 0.983 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000408243647 417148044 /nfs/dbraw/zinc/14/80/44/417148044.db2.gz IZOZAEUIGLUYIC-SDDRHHMPSA-N 0 0 316.423 0.296 10 0 DCAERN CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)onc2N)[C@H](C)C1 ZINC000408206046 417149174 /nfs/dbraw/zinc/14/91/74/417149174.db2.gz MRKFANRMPCDZMP-KOLCDFICSA-N 0 0 316.427 0.916 10 0 DCAERN CCc1nnc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)s1 ZINC000408256422 417151621 /nfs/dbraw/zinc/15/16/21/417151621.db2.gz LMBMFTJDPUENHV-ZDUSSCGKSA-N 0 0 309.395 1.235 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000408333350 417155549 /nfs/dbraw/zinc/15/55/49/417155549.db2.gz CUPYZVKJGGCKOG-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CN(CC(=O)NC[C@]1(O)CCCC(C)(C)C1)S(C)(=O)=O ZINC000408413091 417160034 /nfs/dbraw/zinc/16/00/34/417160034.db2.gz BUCFKVPPXJSCOX-ZDUSSCGKSA-N 0 0 306.428 0.325 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)[nH]1 ZINC000526004390 417171456 /nfs/dbraw/zinc/17/14/56/417171456.db2.gz NEAXWIPKJJUQPA-AAEUAGOBSA-N 0 0 319.409 0.763 10 0 DCAERN COC[C@@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)OC ZINC000617229779 417181726 /nfs/dbraw/zinc/18/17/26/417181726.db2.gz NJXSRKUCDAEUEM-SECBINFHSA-N 0 0 322.408 0.177 10 0 DCAERN COC(=O)[C@H]1CCCCCC[C@@H]1NS(=O)(=O)C1COC1 ZINC000617241062 417184051 /nfs/dbraw/zinc/18/40/51/417184051.db2.gz IUMQFCGRTOLTSF-RYUDHWBXSA-N 0 0 305.396 0.817 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)CC2 ZINC000527252193 417229634 /nfs/dbraw/zinc/22/96/34/417229634.db2.gz OPNUBRZDUQRPCY-ZWNOBZJWSA-N 0 0 320.393 0.351 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000450016335 417191897 /nfs/dbraw/zinc/19/18/97/417191897.db2.gz IIVRXHUQBCSELL-LBPRGKRZSA-N 0 0 322.409 0.367 10 0 DCAERN CC[C@@]1(O)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000632666004 417219825 /nfs/dbraw/zinc/21/98/25/417219825.db2.gz JNMPLTHGTMPYHB-FRRDWIJNSA-N 0 0 306.428 0.577 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)nn1 ZINC000450424428 417224980 /nfs/dbraw/zinc/22/49/80/417224980.db2.gz KSGINAUUQCUZIM-AAEUAGOBSA-N 0 0 308.382 0.736 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000433439335 417270086 /nfs/dbraw/zinc/27/00/86/417270086.db2.gz IRWGCOFRZZDHCY-OAHLLOKOSA-N 0 0 322.386 0.790 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000632843867 417280344 /nfs/dbraw/zinc/28/03/44/417280344.db2.gz YUIDBXYFYXEGRQ-GHMZBOCLSA-N 0 0 308.338 0.492 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cc(C)nc3ncnn32)CC12COC2 ZINC000450558568 417239346 /nfs/dbraw/zinc/23/93/46/417239346.db2.gz JBFJKRJECRNLAQ-NSHDSACASA-N 0 0 317.349 0.449 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000527537207 417250463 /nfs/dbraw/zinc/25/04/63/417250463.db2.gz ZGDOHIBERSWVEJ-JLJPHGGASA-N 0 0 300.358 0.948 10 0 DCAERN COC[C@@H]1NC(=O)N(Cc2ccc(Cn3ccnc3)cc2)C1=O ZINC000569426085 417251922 /nfs/dbraw/zinc/25/19/22/417251922.db2.gz RTZIWOOQCFWYSS-AWEZNQCLSA-N 0 0 314.345 0.998 10 0 DCAERN CCC[C@H](OC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000451245198 417320270 /nfs/dbraw/zinc/32/02/70/417320270.db2.gz OLMYVSUGIYTSDT-MXWKQRLJSA-N 0 0 302.371 0.374 10 0 DCAERN CCC[C@H](OC)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000451245199 417322308 /nfs/dbraw/zinc/32/23/08/417322308.db2.gz OLMYVSUGIYTSDT-VWYCJHECSA-N 0 0 302.371 0.374 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC000633295960 417402080 /nfs/dbraw/zinc/40/20/80/417402080.db2.gz YSVGSHKMTSVDRG-STQMWFEESA-N 0 0 314.407 0.033 10 0 DCAERN CC(=O)CCC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000633323342 417408729 /nfs/dbraw/zinc/40/87/29/417408729.db2.gz MJCFVYKNYOSXFF-CYBMUJFWSA-N 0 0 306.366 0.510 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCCCF)CC12COC2 ZINC000451620413 417365906 /nfs/dbraw/zinc/36/59/06/417365906.db2.gz OHHLJKHPAAIQCI-NSHDSACASA-N 0 0 323.386 0.577 10 0 DCAERN c1coc(CN(CCN2CCOCC2)C[C@H]2COCCO2)c1 ZINC000452048741 417436875 /nfs/dbraw/zinc/43/68/75/417436875.db2.gz NUIYPHIHMNAVGN-INIZCTEOSA-N 0 0 310.394 0.829 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C)[nH]c(=O)c2)CC12COC2 ZINC000452264563 417462194 /nfs/dbraw/zinc/46/21/94/417462194.db2.gz OPUXWMQYOXMTAE-LBPRGKRZSA-N 0 0 320.345 0.747 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2CC)CC12COC2 ZINC000452256735 417462209 /nfs/dbraw/zinc/46/22/09/417462209.db2.gz HGKDRNOMYFONSX-LBPRGKRZSA-N 0 0 321.377 0.634 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000633602973 417462487 /nfs/dbraw/zinc/46/24/87/417462487.db2.gz RQZZYMATSPAMMS-CHWSQXEVSA-N 0 0 322.409 0.607 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)COCCCOC)CC12COC2 ZINC000452264358 417462577 /nfs/dbraw/zinc/46/25/77/417462577.db2.gz OCNSPKCPDNQNQW-GFCCVEGCSA-N 0 0 315.366 0.078 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000633642644 417469673 /nfs/dbraw/zinc/46/96/73/417469673.db2.gz PVLAOVJTZLDUCI-MRXNPFEDSA-N 0 0 323.437 0.568 10 0 DCAERN CCO[C@@]1(C(=O)NCc2n[nH]cc2Br)CCOC1 ZINC000644350392 417544804 /nfs/dbraw/zinc/54/48/04/417544804.db2.gz MCRAMKOKYZSZJU-NSHDSACASA-N 0 0 318.171 0.984 10 0 DCAERN CO[C@](C)(CNC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000452759855 417499012 /nfs/dbraw/zinc/49/90/12/417499012.db2.gz UGMZJYFNKZMBNV-MRXNPFEDSA-N 0 0 306.362 0.523 10 0 DCAERN O=C(c1cc(C2CCCCC2)n[nH]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000452989009 417515847 /nfs/dbraw/zinc/51/58/47/417515847.db2.gz RZIFQRJBEUDFDO-PHIMTYICSA-N 0 0 316.361 0.802 10 0 DCAERN CC(=O)O[C@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000575231312 417521156 /nfs/dbraw/zinc/52/11/56/417521156.db2.gz QZKDRLZSJSWQPS-WTPMCQDGSA-N 0 0 302.323 0.946 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1c1cn[nH]n1 ZINC000623032348 417527152 /nfs/dbraw/zinc/52/71/52/417527152.db2.gz SIVIBLASJFJAFJ-GZMMTYOYSA-N 0 0 309.276 0.733 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cnc(C)nc2)CC12COC2 ZINC000454729289 417577272 /nfs/dbraw/zinc/57/72/72/417577272.db2.gz SMXCFSRWELQMIO-LBPRGKRZSA-N 0 0 320.349 0.828 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccncc2C)CC12COC2 ZINC000455033783 417589961 /nfs/dbraw/zinc/58/99/61/417589961.db2.gz MAVFIYJPGDDVRY-LBPRGKRZSA-N 0 0 319.361 0.855 10 0 DCAERN Cc1cnc(CCNC(=O)Nc2ncn(C(C)(C)C)n2)cn1 ZINC000455144337 417594271 /nfs/dbraw/zinc/59/42/71/417594271.db2.gz RXENZVGRVKKBCN-UHFFFAOYSA-N 0 0 303.370 1.496 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccncn2)CC12COC2 ZINC000455200467 417596169 /nfs/dbraw/zinc/59/61/69/417596169.db2.gz XYWPDWGPNQRKOG-JTQLQIEISA-N 0 0 306.322 0.520 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCn2cccc2)CC12COC2 ZINC000454633848 417569857 /nfs/dbraw/zinc/56/98/57/417569857.db2.gz FKQPQYGVYJAXLS-ZDUSSCGKSA-N 0 0 321.377 0.709 10 0 DCAERN C[C@H]1CN(Cc2c(Br)cnn2C)C[C@@H](C(N)=O)O1 ZINC000628421485 417618903 /nfs/dbraw/zinc/61/89/03/417618903.db2.gz ZZLHYJLZJPJPKK-XVKPBYJWSA-N 0 0 317.187 0.257 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCOC1 ZINC000576622241 417623286 /nfs/dbraw/zinc/62/32/86/417623286.db2.gz HVUNQKHCTOUELZ-RVMXOQNASA-N 0 0 308.378 0.308 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000531814168 417641439 /nfs/dbraw/zinc/64/14/39/417641439.db2.gz NCLKUYVDIHIJIM-UHFFFAOYSA-N 0 0 313.325 0.455 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000531886004 417647619 /nfs/dbraw/zinc/64/76/19/417647619.db2.gz LLXDSVUGLQRODH-CYBMUJFWSA-N 0 0 324.425 0.745 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)c1cc2c(cn1)OCCO2 ZINC000644716593 417649397 /nfs/dbraw/zinc/64/93/97/417649397.db2.gz HSZIEGFQIQZOOD-GFCCVEGCSA-N 0 0 305.334 0.640 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000532082666 417657124 /nfs/dbraw/zinc/65/71/24/417657124.db2.gz WGLAOGOCJWSKBY-OLZOCXBDSA-N 0 0 319.409 0.967 10 0 DCAERN CCOC(=O)Cc1cnc(NC(=O)COc2cnn(C)c2)s1 ZINC000456890611 417670215 /nfs/dbraw/zinc/67/02/15/417670215.db2.gz UKZSCOVBOWYADA-UHFFFAOYSA-N 0 0 324.362 1.000 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)nn1C ZINC000577197788 417671178 /nfs/dbraw/zinc/67/11/78/417671178.db2.gz UEBVTPJZTKSYEW-RNCFNFMXSA-N 0 0 312.320 1.171 10 0 DCAERN CC(C)n1cc([C@@H](C)NC(=O)N(C)Cc2nnnn2C)cn1 ZINC000532314874 417672569 /nfs/dbraw/zinc/67/25/69/417672569.db2.gz OMEANYNZFXZSNN-SNVBAGLBSA-N 0 0 306.374 0.890 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H](C)c2nncn2C)n1 ZINC000440510458 287404197 /nfs/dbraw/zinc/40/41/97/287404197.db2.gz HJPQOSMPRYTESC-SNVBAGLBSA-N 0 0 304.354 0.822 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)cn1 ZINC000629231212 417762878 /nfs/dbraw/zinc/76/28/78/417762878.db2.gz REEAKUWQWYCMAM-SCZZXKLOSA-N 0 0 301.140 0.724 10 0 DCAERN CC(C)(C)c1ncc(C(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000458127009 417723315 /nfs/dbraw/zinc/72/33/15/417723315.db2.gz CNVLCGCTPTVQCH-VIFPVBQESA-N 0 0 309.395 0.823 10 0 DCAERN O=C(COc1ccc(Cl)cc1)NC[C@H](O)Cn1ccnn1 ZINC000458135546 417723645 /nfs/dbraw/zinc/72/36/45/417723645.db2.gz WPSSDBQTALQODL-NSHDSACASA-N 0 0 310.741 0.488 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)c1cc2c(c(Cl)c1)OCO2 ZINC000458154228 417725231 /nfs/dbraw/zinc/72/52/31/417725231.db2.gz ZEEQMTOKTKBSMQ-VIFPVBQESA-N 0 0 324.724 0.451 10 0 DCAERN Cc1ccn2cc(C(=O)NC[C@H](O)Cn3ccnn3)nc2c1 ZINC000458151797 417725436 /nfs/dbraw/zinc/72/54/36/417725436.db2.gz XAAPBVXAJKBJKU-NSHDSACASA-N 0 0 300.322 0.025 10 0 DCAERN Cc1ccc(C[C@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458149931 417725602 /nfs/dbraw/zinc/72/56/02/417725602.db2.gz VDAFSUHEWKKHBH-DZGCQCFKSA-N 0 0 302.378 0.942 10 0 DCAERN CC(C)Nc1ncccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148100 417725629 /nfs/dbraw/zinc/72/56/29/417725629.db2.gz SULAUGVFKFXIEC-LLVKDONJSA-N 0 0 304.354 0.284 10 0 DCAERN COc1ncc(Cl)c(N[C@H]2CS(=O)(=O)C[C@@H]2OC)n1 ZINC000664267899 418106433 /nfs/dbraw/zinc/10/64/33/418106433.db2.gz FYCSDXUFWNTVJV-YUMQZZPRSA-N 0 0 307.759 0.363 10 0 DCAERN COc1ccc(-c2noc(N(C)Cc3nnnn3C)n2)cc1 ZINC000450373988 287446915 /nfs/dbraw/zinc/44/69/15/287446915.db2.gz BGXLPCUXMRPXPD-UHFFFAOYSA-N 0 0 301.310 0.905 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000192923797 545930215 /nfs/dbraw/zinc/93/02/15/545930215.db2.gz NHEKDCCNXOASCM-UWVGGRQHSA-N 0 0 303.428 0.922 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cccc(Br)n1 ZINC000202064024 545935790 /nfs/dbraw/zinc/93/57/90/545935790.db2.gz PUUPGIITWOKFQP-SECBINFHSA-N 0 0 300.156 0.530 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1cccn1 ZINC000488244239 287547580 /nfs/dbraw/zinc/54/75/80/287547580.db2.gz BQDDJRCIOVYORL-VXGBXAGGSA-N 0 0 324.381 0.236 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(CCOC)CC1 ZINC000488254816 287547781 /nfs/dbraw/zinc/54/77/81/287547781.db2.gz RQCSHUPQQNBHCF-MNOVXSKESA-N 0 0 314.382 0.376 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000299746044 229387496 /nfs/dbraw/zinc/38/74/96/229387496.db2.gz UYJYNURNBRCAOB-NEPJUHHUSA-N 0 0 322.336 0.815 10 0 DCAERN Cc1cc(C)n2cc(CN3CCC([C@@H](O)C(N)=O)CC3)nc2n1 ZINC000299747862 229392204 /nfs/dbraw/zinc/39/22/04/229392204.db2.gz FJSPFQIAGWXVRW-CQSZACIVSA-N 0 0 317.393 0.404 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)ccc1C ZINC000180606525 261113592 /nfs/dbraw/zinc/11/35/92/261113592.db2.gz LBJGQCWSTMXTSU-UHFFFAOYSA-N 0 0 324.402 0.753 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)NC1(CO)CC1 ZINC000179729153 261114153 /nfs/dbraw/zinc/11/41/53/261114153.db2.gz WDFPRNLGFFKIGH-UHFFFAOYSA-N 0 0 303.406 0.445 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183513591 261116163 /nfs/dbraw/zinc/11/61/63/261116163.db2.gz WLXYDRBWVQTXLF-NSHDSACASA-N 0 0 318.377 0.839 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@H](CCO)c2ccco2)c1 ZINC000184284442 261118859 /nfs/dbraw/zinc/11/88/59/261118859.db2.gz CNFGOAOXPGFVBZ-GFCCVEGCSA-N 0 0 324.358 0.781 10 0 DCAERN CCC1(CC)CN(CC(=O)NCCCOC)CC[S@@]1=O ZINC000185232008 261119913 /nfs/dbraw/zinc/11/99/13/261119913.db2.gz APHQNTFMRJKRIR-FQEVSTJZSA-N 0 0 304.456 0.762 10 0 DCAERN NC(=O)c1ccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)cc1 ZINC000186200812 261121521 /nfs/dbraw/zinc/12/15/21/261121521.db2.gz QAUYHLOEDDAHDF-UHFFFAOYSA-N 0 0 323.312 0.347 10 0 DCAERN CN(C)c1cccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000187224724 261122878 /nfs/dbraw/zinc/12/28/78/261122878.db2.gz CQRRCNNFOIVBMY-UHFFFAOYSA-N 0 0 324.344 0.709 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]1C ZINC000188066887 261126278 /nfs/dbraw/zinc/12/62/78/261126278.db2.gz PQQZHAIBZXYFJJ-TUAOUCFPSA-N 0 0 320.455 0.834 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000188377471 261127178 /nfs/dbraw/zinc/12/71/78/261127178.db2.gz CGRVXGBPUMGSHG-UHFFFAOYSA-N 0 0 306.428 0.543 10 0 DCAERN Cc1ccc(C[C@@H](CO)NC(=O)NCCCn2ccnn2)cc1 ZINC000188464191 261127950 /nfs/dbraw/zinc/12/79/50/261127950.db2.gz XYNGOFGTFNQMPT-HNNXBMFYSA-N 0 0 317.393 0.879 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@H](CO)O1 ZINC000188615848 261129344 /nfs/dbraw/zinc/12/93/44/261129344.db2.gz GAGKTYQPGDCTQA-WCQYABFASA-N 0 0 308.382 0.439 10 0 DCAERN CO[C@H]1CN(CC(=O)NC(=O)NCc2ccco2)CC[C@@H]1C ZINC000189315560 261131265 /nfs/dbraw/zinc/13/12/65/261131265.db2.gz UKUDPIZAHJCWBG-AAEUAGOBSA-N 0 0 309.366 0.962 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000189759893 261133234 /nfs/dbraw/zinc/13/32/34/261133234.db2.gz NSWKCDQRIAFDTE-CHWSQXEVSA-N 0 0 310.398 0.830 10 0 DCAERN COC(=O)CCCCCS(=O)(=O)N1CCN(C2CC2)CC1 ZINC000190666388 261135411 /nfs/dbraw/zinc/13/54/11/261135411.db2.gz VTDDBKUDKXXWQR-UHFFFAOYSA-N 0 0 318.439 0.830 10 0 DCAERN CN(C)C(=O)CCCNC(=O)NCCNC(=O)c1ccccc1 ZINC000193848668 261143998 /nfs/dbraw/zinc/14/39/98/261143998.db2.gz WPYLTUPVMZFMRY-UHFFFAOYSA-N 0 0 320.393 0.584 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@H]2C(=O)NCC[C@H]2C)s1 ZINC000194230021 261145213 /nfs/dbraw/zinc/14/52/13/261145213.db2.gz ONQOYAIYNCEHLW-PRHODGIISA-N 0 0 309.391 0.639 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000194679170 261147860 /nfs/dbraw/zinc/14/78/60/261147860.db2.gz UGCOFWDZVNDWOO-CYBMUJFWSA-N 0 0 318.439 0.733 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)s1 ZINC000194876692 261149849 /nfs/dbraw/zinc/14/98/49/261149849.db2.gz IMWJMMUXQHVPNY-LLVKDONJSA-N 0 0 321.402 0.477 10 0 DCAERN COC[C@H](C)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000195490178 261151853 /nfs/dbraw/zinc/15/18/53/261151853.db2.gz ZIOUUOHHUSDQSR-SSDOTTSWSA-N 0 0 306.409 0.716 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000234561406 261155166 /nfs/dbraw/zinc/15/51/66/261155166.db2.gz LJNHEGRBRHOLJQ-WYUUTHIRSA-N 0 0 305.396 0.361 10 0 DCAERN COCCN(C(=O)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000244057089 261165825 /nfs/dbraw/zinc/16/58/25/261165825.db2.gz TWOPKABDLLDDET-CYBMUJFWSA-N 0 0 318.439 0.974 10 0 DCAERN CC(=O)N1CCN(C(=O)C2CN(CC(F)(F)F)C2)[C@@H](C)C1 ZINC000354922375 261287473 /nfs/dbraw/zinc/28/74/73/261287473.db2.gz QZSLJYXVIPHWKQ-VIFPVBQESA-N 0 0 307.316 0.560 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000355321230 261331572 /nfs/dbraw/zinc/33/15/72/261331572.db2.gz VGHFDUISJFFWDF-LLVKDONJSA-N 0 0 321.343 0.807 10 0 DCAERN NC(=O)C1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000356094903 261390753 /nfs/dbraw/zinc/39/07/53/261390753.db2.gz QGHKUQCRNCGPDI-TVSZOZCSSA-N 0 0 317.389 0.988 10 0 DCAERN C[C@H](c1noc(CNS(=O)(=O)c2cnn(C)c2)n1)C1CC1 ZINC000357522555 261551429 /nfs/dbraw/zinc/55/14/29/261551429.db2.gz ALEYQORGXSADNN-QMMMGPOBSA-N 0 0 311.367 0.795 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c[nH]1 ZINC000357720324 261576150 /nfs/dbraw/zinc/57/61/50/261576150.db2.gz GLAKIDFMXRCFHK-RKDXNWHRSA-N 0 0 314.363 0.449 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC[C@H](CO)C1CC1 ZINC000359822708 261772320 /nfs/dbraw/zinc/77/23/20/261772320.db2.gz NPHOWCKZTWTGKD-CZUORRHYSA-N 0 0 308.378 0.042 10 0 DCAERN COc1ccccc1[C@@H](C)N(C)C(=O)CN1CC(=O)N(C)C1 ZINC000360505075 261839673 /nfs/dbraw/zinc/83/96/73/261839673.db2.gz RULUHSMDDNVVRU-GFCCVEGCSA-N 0 0 305.378 0.946 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC(N)=O)cc1 ZINC000360511078 261841335 /nfs/dbraw/zinc/84/13/35/261841335.db2.gz ZEDFWRRWNZYMGS-MRVPVSSYSA-N 0 0 300.336 0.015 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1cccc2c1CCO2 ZINC000362127166 262002212 /nfs/dbraw/zinc/00/22/12/262002212.db2.gz XVVGIZFRSLHILO-QWRGUYRKSA-N 0 0 304.346 0.789 10 0 DCAERN COc1ccccc1S(=O)(=O)CCCN1CC(=O)N(C)C1 ZINC000362194222 262007613 /nfs/dbraw/zinc/00/76/13/262007613.db2.gz BQVGCUGFBJNBRA-UHFFFAOYSA-N 0 0 312.391 0.591 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCOCC[C@H]1C ZINC000362234706 262013486 /nfs/dbraw/zinc/01/34/86/262013486.db2.gz IPLZXCKGFCPPHH-OLZOCXBDSA-N 0 0 300.399 0.801 10 0 DCAERN CN(CC(=O)N1CCOC[C@@H]1C1CC1)C1(C(N)=O)CCCC1 ZINC000362338996 262023465 /nfs/dbraw/zinc/02/34/65/262023465.db2.gz DOHCFPBBYVOUID-CYBMUJFWSA-N 0 0 309.410 0.354 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)Nc2c[nH]c(C(N)=O)c2)cn1 ZINC000362552507 262046233 /nfs/dbraw/zinc/04/62/33/262046233.db2.gz YVIKSTRRNHDCEC-UHFFFAOYSA-N 0 0 303.322 0.887 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000363007101 262093842 /nfs/dbraw/zinc/09/38/42/262093842.db2.gz BWMFJEDLESCPNO-MGPQQGTHSA-N 0 0 310.394 0.509 10 0 DCAERN O=C(CN1CSCC1=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000363540230 262119313 /nfs/dbraw/zinc/11/93/13/262119313.db2.gz UDLZJCJNOOXGBS-UHFFFAOYSA-N 0 0 303.347 0.943 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCn3cncc3C2)C[C@@H]1C ZINC000363546028 262120976 /nfs/dbraw/zinc/12/09/76/262120976.db2.gz NHOXEOIJJLDZEV-MELADBBJSA-N 0 0 306.410 0.359 10 0 DCAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CCN2CCOC[C@H]2C1 ZINC000363817961 262132059 /nfs/dbraw/zinc/13/20/59/262132059.db2.gz GPGVIADCQGACDF-CQSZACIVSA-N 0 0 315.373 0.728 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000363855808 262135029 /nfs/dbraw/zinc/13/50/29/262135029.db2.gz BCQONCDXEXDYLH-ZDUSSCGKSA-N 0 0 305.378 0.991 10 0 DCAERN COC(=O)[C@@H]1CCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000390782948 262160468 /nfs/dbraw/zinc/16/04/68/262160468.db2.gz LKXJEKQQEQMDFA-CYBMUJFWSA-N 0 0 301.350 0.716 10 0 DCAERN CCN1C[C@H](NCc2c(Br)cnn2C)CC1=O ZINC000391545623 262161097 /nfs/dbraw/zinc/16/10/97/262161097.db2.gz OYPIOCJGIDPXIS-MRVPVSSYSA-N 0 0 301.188 0.893 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1C(=O)N[C@@H]1CCN(C)C1=O)C1CC1 ZINC000432313074 262641879 /nfs/dbraw/zinc/64/18/79/262641879.db2.gz JDCYCROZZMBQPI-ZIAGYGMSSA-N 0 0 322.409 0.402 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CC[C@@H](C)O)c1 ZINC000355455128 271010508 /nfs/dbraw/zinc/01/05/08/271010508.db2.gz IKETYCMBFROMLO-LLVKDONJSA-N 0 0 321.377 0.837 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000357258143 271047290 /nfs/dbraw/zinc/04/72/90/271047290.db2.gz TUVRAQVXWNGGER-UHFFFAOYSA-N 0 0 324.402 0.976 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H](CO)C1CC1 ZINC000358324919 271049501 /nfs/dbraw/zinc/04/95/01/271049501.db2.gz CMFDTFHWQSPDHX-SNVBAGLBSA-N 0 0 305.334 0.583 10 0 DCAERN CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)[C@H](C)CO ZINC000358751988 271066820 /nfs/dbraw/zinc/06/68/20/271066820.db2.gz CFZVBEDSJTWOID-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)C1 ZINC000359220889 271106976 /nfs/dbraw/zinc/10/69/76/271106976.db2.gz OBGFGEOFQMVHGM-NEPJUHHUSA-N 0 0 314.430 0.885 10 0 DCAERN CN(C)S(=O)(=O)CCC(=O)Nc1cccc(CCCO)c1 ZINC000359601672 271130052 /nfs/dbraw/zinc/13/00/52/271130052.db2.gz ICYXNRWFDVVKDR-UHFFFAOYSA-N 0 0 314.407 0.832 10 0 DCAERN CCCN1CCC[C@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613165 271132723 /nfs/dbraw/zinc/13/27/23/271132723.db2.gz ZCJYLHIIVKSGCW-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN CN(CCCO)C(=O)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000359625795 271133464 /nfs/dbraw/zinc/13/34/64/271133464.db2.gz RWKRDERPDMRCAE-CQSZACIVSA-N 0 0 322.430 0.974 10 0 DCAERN C[C@@H](CNC(=O)C1C2CC3CC(C2)CC1C3)S(N)(=O)=O ZINC000398239803 271217898 /nfs/dbraw/zinc/21/78/98/271217898.db2.gz CRNRCLBCFSDKCO-DDNJXNFVSA-N 0 0 300.424 0.852 10 0 DCAERN COC[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(F)cc1 ZINC000437389463 271619923 /nfs/dbraw/zinc/61/99/23/271619923.db2.gz IORWMOUPBBSASB-LBPRGKRZSA-N 0 0 323.324 0.571 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCOCCOC)no1 ZINC000441890588 271660560 /nfs/dbraw/zinc/66/05/60/271660560.db2.gz OMUIZLBPPBHRIW-UHFFFAOYSA-N 0 0 300.359 0.829 10 0 DCAERN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H](CO)NC(N)=O ZINC000442726052 271681070 /nfs/dbraw/zinc/68/10/70/271681070.db2.gz RGAHFBCCTXHDSO-ZDUSSCGKSA-N 0 0 304.350 0.546 10 0 DCAERN CCOC[C@H](O)CN[C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444766073 271742923 /nfs/dbraw/zinc/74/29/23/271742923.db2.gz KTORHTSXQZDHFS-XUJVJEKNSA-N 0 0 303.399 0.720 10 0 DCAERN COC[C@@H](NC(=O)Cn1cc(C(C)=O)nn1)c1ccccc1 ZINC000448879047 271834833 /nfs/dbraw/zinc/83/48/33/271834833.db2.gz WYQOJPQQZDXTOV-CQSZACIVSA-N 0 0 302.334 0.985 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cn(C)nc2C)CC12COC2 ZINC000452218233 271911343 /nfs/dbraw/zinc/91/13/43/271911343.db2.gz FPZFOZCQJVOEHJ-CYBMUJFWSA-N 0 0 321.377 0.309 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2snnc2C)CC12COC2 ZINC000452232488 271911739 /nfs/dbraw/zinc/91/17/39/271911739.db2.gz WVCSZKCGUBEGKL-VIFPVBQESA-N 0 0 311.363 0.498 10 0 DCAERN CCN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)CC)c2)CC1=O ZINC000452948690 271924706 /nfs/dbraw/zinc/92/47/06/271924706.db2.gz JLUMDGCPLOYFJZ-LBPRGKRZSA-N 0 0 324.402 0.831 10 0 DCAERN CC1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000453603388 271929395 /nfs/dbraw/zinc/92/93/95/271929395.db2.gz KVGJQWWASRRHEK-DGCLKSJQSA-N 0 0 317.345 0.765 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC(=O)N1 ZINC000453919751 271931850 /nfs/dbraw/zinc/93/18/50/271931850.db2.gz LTQLOEPKJKHWQW-SNVBAGLBSA-N 0 0 317.345 0.297 10 0 DCAERN Cc1ccc(-c2cc(C(=O)NC[C@@H](O)Cn3ccnn3)[nH]n2)o1 ZINC000458131499 271943707 /nfs/dbraw/zinc/94/37/07/271943707.db2.gz GLJUDRUFUWFAPD-SNVBAGLBSA-N 0 0 316.321 0.361 10 0 DCAERN CC(C)Cc1ncc(NC(=O)NC[C@@H](O)Cn2ccnn2)cn1 ZINC000459526507 272000205 /nfs/dbraw/zinc/00/02/05/272000205.db2.gz OKYCNVZEZNMPDU-GFCCVEGCSA-N 0 0 319.369 0.449 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000461279076 272026241 /nfs/dbraw/zinc/02/62/41/272026241.db2.gz RRVWPEMIJDAZHP-WOPDTQHZSA-N 0 0 306.428 0.586 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cncs1 ZINC000487114023 272038383 /nfs/dbraw/zinc/03/83/83/272038383.db2.gz HCTUDTWEGSXKJF-BDAKNGLRSA-N 0 0 313.379 0.258 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(F)(F)F ZINC000487148963 272038853 /nfs/dbraw/zinc/03/88/53/272038853.db2.gz FLPPDRPZNHQGTI-YUMQZZPRSA-N 0 0 312.288 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCCS1 ZINC000487152927 272039170 /nfs/dbraw/zinc/03/91/70/272039170.db2.gz LECCZCVNQZEMRU-OUAUKWLOSA-N 0 0 316.423 0.845 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488928337 272053849 /nfs/dbraw/zinc/05/38/49/272053849.db2.gz GHOYJQVBGGHWLX-GHMZBOCLSA-N 0 0 324.393 0.799 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCSC[C@H]1CCO ZINC000494913108 272234198 /nfs/dbraw/zinc/23/41/98/272234198.db2.gz ZNEIHUKTLNLPAV-CYBMUJFWSA-N 0 0 308.403 0.743 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H]1CC1(C)C ZINC000495249823 272243484 /nfs/dbraw/zinc/24/34/84/272243484.db2.gz HTKWVYACJMIHHH-OUAUKWLOSA-N 0 0 313.398 0.788 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000531610950 272765589 /nfs/dbraw/zinc/76/55/89/272765589.db2.gz NTZHXSOZJLRUPC-ZYHUDNBSSA-N 0 0 318.443 0.355 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H](c1ccccc1)n1cccn1 ZINC000532322642 272785154 /nfs/dbraw/zinc/78/51/54/272785154.db2.gz YQGAXWNEZZRBFY-AWEZNQCLSA-N 0 0 311.349 0.655 10 0 DCAERN COC(=O)c1nc2nc(C)cc(NCc3ccn(C)n3)n2n1 ZINC000535018365 287824095 /nfs/dbraw/zinc/82/40/95/287824095.db2.gz APTVOPQJDFECOF-UHFFFAOYSA-N 0 0 301.310 0.565 10 0 DCAERN CC(C)(C)n1ncc2c1nc(N1CC[C@@H](NC(N)=O)C1)[nH]c2=O ZINC000536502879 287854777 /nfs/dbraw/zinc/85/47/77/287854777.db2.gz REPFXUNSTWBFAU-MRVPVSSYSA-N 0 0 319.369 0.534 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005437 275950252 /nfs/dbraw/zinc/95/02/52/275950252.db2.gz GGNZXOACCHMYJH-UHFFFAOYSA-N 0 0 310.398 0.307 10 0 DCAERN CC[C@@H]1CCN1C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000293649049 276470835 /nfs/dbraw/zinc/47/08/35/276470835.db2.gz AANAIGMVVMVAHL-SNVBAGLBSA-N 0 0 316.361 0.565 10 0 DCAERN CN1C(=O)C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)c2ccccc21 ZINC000328685351 276879227 /nfs/dbraw/zinc/87/92/27/276879227.db2.gz XINHAHDWEPRYPF-NEPJUHHUSA-N 0 0 301.346 0.831 10 0 DCAERN CNC(=O)c1ccc(N2CCC3(C[C@H]3C(=O)OC)CC2)nn1 ZINC000266794685 277017114 /nfs/dbraw/zinc/01/71/14/277017114.db2.gz AAOARPDCTOSBEG-JTQLQIEISA-N 0 0 304.350 0.616 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000407995331 277036266 /nfs/dbraw/zinc/03/62/66/277036266.db2.gz IKJFAKINTXITTE-NSHDSACASA-N 0 0 311.407 0.971 10 0 DCAERN CNc1nc(N2CCN(C)C(=O)[C@H]2C)ncc1Br ZINC000302574226 277045915 /nfs/dbraw/zinc/04/59/15/277045915.db2.gz ZZLVCRYYQUSQGP-SSDOTTSWSA-N 0 0 314.187 0.948 10 0 DCAERN CC(=O)c1cnc(NC(=O)C(C)(C)NS(C)(=O)=O)s1 ZINC000266265313 277116521 /nfs/dbraw/zinc/11/65/21/277116521.db2.gz WZHNNOAPRCLADT-UHFFFAOYSA-N 0 0 305.381 0.612 10 0 DCAERN O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc2ncnn21 ZINC000542499733 287940739 /nfs/dbraw/zinc/94/07/39/287940739.db2.gz PXXBJAVOOYNBJH-XHDPSFHLSA-N 0 0 302.334 0.797 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000408429868 277329522 /nfs/dbraw/zinc/32/95/22/277329522.db2.gz ZYEKGDMUCYOUFQ-OLZOCXBDSA-N 0 0 324.425 0.553 10 0 DCAERN CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccc2ncnn21 ZINC000543406664 287957192 /nfs/dbraw/zinc/95/71/92/287957192.db2.gz MKMPCUUIIRTCMT-NSHDSACASA-N 0 0 320.374 0.850 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1COc2ccccc21 ZINC000172380965 277950190 /nfs/dbraw/zinc/95/01/90/277950190.db2.gz TUHLTSZYQDMQAF-PWSUYJOCSA-N 0 0 310.375 0.949 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408038015 277964577 /nfs/dbraw/zinc/96/45/77/277964577.db2.gz JHFGTBWBNGXTNV-OCCSQVGLSA-N 0 0 307.394 0.467 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@]23CCOC3)c1 ZINC000545888076 288004455 /nfs/dbraw/zinc/00/44/55/288004455.db2.gz ZFVVUZFUSNNBOF-OCCSQVGLSA-N 0 0 310.375 0.960 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)C1 ZINC000190518178 278091575 /nfs/dbraw/zinc/09/15/75/278091575.db2.gz ZZOBFAZHCAPVOM-CYBMUJFWSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000546024873 288012821 /nfs/dbraw/zinc/01/28/21/288012821.db2.gz HYVYROVPPLHJCX-UTUOFQBUSA-N 0 0 324.468 0.661 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000408006745 278145250 /nfs/dbraw/zinc/14/52/50/278145250.db2.gz ACKQSIMWIQDTJY-WCQYABFASA-N 0 0 303.428 0.706 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000081992298 278267503 /nfs/dbraw/zinc/26/75/03/278267503.db2.gz ULDWKZSGSZCRKO-WCFLWFBJSA-N 0 0 312.391 0.571 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000157323836 278299167 /nfs/dbraw/zinc/29/91/67/278299167.db2.gz NSVAYESPCAGXCP-IHRRRGAJSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCS1(=O)=O ZINC000190466962 288061056 /nfs/dbraw/zinc/06/10/56/288061056.db2.gz DEXSPYNSQOMBKA-SNVBAGLBSA-N 0 0 311.407 0.938 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000408271894 288068413 /nfs/dbraw/zinc/06/84/13/288068413.db2.gz SLHUWHHDYCSZNZ-XNRPHZJLSA-N 0 0 316.405 0.764 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(CCO)CC1 ZINC000547735721 288073878 /nfs/dbraw/zinc/07/38/78/288073878.db2.gz KKZMUNNDQHLOSY-MRXNPFEDSA-N 0 0 308.378 0.220 10 0 DCAERN Cc1nc(N[C@@H]2CCC(=O)N[C@H]2C)sc1S(N)(=O)=O ZINC000338488750 279102114 /nfs/dbraw/zinc/10/21/14/279102114.db2.gz HOSPMNWFDQNISG-CAHLUQPWSA-N 0 0 304.397 0.178 10 0 DCAERN C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)c1nnc2ccccn21 ZINC000548082464 288109775 /nfs/dbraw/zinc/10/97/75/288109775.db2.gz CMTPQAOKQTVBBL-JTQLQIEISA-N 0 0 301.350 0.775 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000548089064 288110260 /nfs/dbraw/zinc/11/02/60/288110260.db2.gz SKBQUEXVVBUGEN-GFCCVEGCSA-N 0 0 302.378 0.645 10 0 DCAERN C[C@H](C(=O)Nc1ncccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173984314 279239129 /nfs/dbraw/zinc/23/91/29/279239129.db2.gz NNYFMVCQAGEFQB-OLZOCXBDSA-N 0 0 305.382 0.210 10 0 DCAERN CN(CCN1CCOCC1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548338474 288133077 /nfs/dbraw/zinc/13/30/77/288133077.db2.gz KKEYQYADHNTNSZ-UKRRQHHQSA-N 0 0 322.409 0.288 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000548390358 288138966 /nfs/dbraw/zinc/13/89/66/288138966.db2.gz VBKDXBYHJWLOAK-ZDUSSCGKSA-N 0 0 302.330 0.606 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)nn1C ZINC000548449710 288144374 /nfs/dbraw/zinc/14/43/74/288144374.db2.gz OOJHDNXFFZYKCW-MRVPVSSYSA-N 0 0 306.288 0.795 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000548465502 288146096 /nfs/dbraw/zinc/14/60/96/288146096.db2.gz HWSOBACFSFVCEI-CYBMUJFWSA-N 0 0 305.378 0.968 10 0 DCAERN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ncn(C)n1 ZINC000548731522 288171805 /nfs/dbraw/zinc/17/18/05/288171805.db2.gz AUWZEQMHLYPXAU-SECBINFHSA-N 0 0 303.322 0.833 10 0 DCAERN CC(C)[C@@H]1N(S(=O)(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000328830564 280064818 /nfs/dbraw/zinc/06/48/18/280064818.db2.gz KNPLBDMWTWJZJV-QWHCGFSZSA-N 0 0 304.412 0.453 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1cccc(CO)n1)C1CCCC1 ZINC000549714019 288202047 /nfs/dbraw/zinc/20/20/47/288202047.db2.gz FAOOSALAMIOXKI-OAHLLOKOSA-N 0 0 305.378 0.885 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408185498 280187955 /nfs/dbraw/zinc/18/79/55/280187955.db2.gz DBBDCDUSOLTPPC-SGMGOOAPSA-N 0 0 302.378 0.920 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000294164406 280343088 /nfs/dbraw/zinc/34/30/88/280343088.db2.gz PGZYNBSJUBFIQA-VHSXEESVSA-N 0 0 316.361 0.421 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cncc(Cl)c2)CCS1(=O)=O ZINC000269926979 288245541 /nfs/dbraw/zinc/24/55/41/288245541.db2.gz CFAFJKCSFAUAAC-MRVPVSSYSA-N 0 0 324.811 0.543 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000551966789 288251770 /nfs/dbraw/zinc/25/17/70/288251770.db2.gz CXQYEBPRKLETTB-SSDOTTSWSA-N 0 0 308.313 0.368 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000177626298 280893144 /nfs/dbraw/zinc/89/31/44/280893144.db2.gz CIDOZDZDKUYAML-NSHDSACASA-N 0 0 317.324 0.795 10 0 DCAERN CC1(C)CCC[C@@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000408416908 281035171 /nfs/dbraw/zinc/03/51/71/281035171.db2.gz PGFWLSPHRCPNOV-AWEZNQCLSA-N 0 0 318.439 0.469 10 0 DCAERN CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553100944 288287225 /nfs/dbraw/zinc/28/72/25/288287225.db2.gz GSSUZCVVSBPGDA-JTQLQIEISA-N 0 0 318.333 0.588 10 0 DCAERN CC1(C)CN(C(=O)c2cnn3c2CCCC3)CCS1(=O)=O ZINC000128271503 281226849 /nfs/dbraw/zinc/22/68/49/281226849.db2.gz PUBUPYLTYLWPJV-UHFFFAOYSA-N 0 0 311.407 0.869 10 0 DCAERN CC1(C)CN(CC2(CS(C)(=O)=O)CC2)CCS1(=O)=O ZINC000407947762 281233331 /nfs/dbraw/zinc/23/33/31/281233331.db2.gz KJVZGYCMEVULPY-UHFFFAOYSA-N 0 0 309.453 0.320 10 0 DCAERN Cc1cccc2c1ncnc2N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000151935805 281310836 /nfs/dbraw/zinc/31/08/36/281310836.db2.gz FGAGROKRPUXSHB-NSHDSACASA-N 0 0 311.345 0.085 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)COc2cnn(C)c2)C12CCOCC2 ZINC000554528787 288326191 /nfs/dbraw/zinc/32/61/91/288326191.db2.gz GTDUOUIKMYCUPW-KBPBESRZSA-N 0 0 323.393 0.889 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(c3ccc(F)cn3)CC2)cn1 ZINC000554531063 288326644 /nfs/dbraw/zinc/32/66/44/288326644.db2.gz IRVKJQPMMVMQNO-UHFFFAOYSA-N 0 0 319.340 0.682 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ncsc1Br ZINC000554617991 288333757 /nfs/dbraw/zinc/33/37/57/288333757.db2.gz HOCCVGMBNVGONK-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122040404 281887129 /nfs/dbraw/zinc/88/71/29/281887129.db2.gz ZBFAXNNSPZOVPM-RYUDHWBXSA-N 0 0 316.423 0.423 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCn2ccnc2)C1 ZINC000556654584 288380893 /nfs/dbraw/zinc/38/08/93/288380893.db2.gz IBCMJELEBVQOLE-OLZOCXBDSA-N 0 0 308.382 0.463 10 0 DCAERN O=C(CN1CSCC1=O)NCC[C@H]1COc2ccccc2O1 ZINC000558800370 288460729 /nfs/dbraw/zinc/46/07/29/288460729.db2.gz BBNYRCOIXWSEQN-NSHDSACASA-N 0 0 322.386 0.866 10 0 DCAERN C[C@@](O)(CNC(=O)C(=O)Nc1ccc2nccn2c1)C1CC1 ZINC000561001011 288523079 /nfs/dbraw/zinc/52/30/79/288523079.db2.gz XUCZSPZZXYNOLW-OAHLLOKOSA-N 0 0 302.334 0.550 10 0 DCAERN COC[C@@H]1NC(=O)N(CC[C@@H]2COc3ccccc3O2)C1=O ZINC000562388739 288571171 /nfs/dbraw/zinc/57/11/71/288571171.db2.gz IOBULOQMFXDCNE-MNOVXSKESA-N 0 0 306.318 0.783 10 0 DCAERN Cn1cc([C@H](NC(=O)CNC(=O)C2CC2)C(F)(F)F)cn1 ZINC000562488122 288579832 /nfs/dbraw/zinc/57/98/32/288579832.db2.gz CESIQEVETQWJAU-JTQLQIEISA-N 0 0 304.272 0.666 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000172801462 289014730 /nfs/dbraw/zinc/01/47/30/289014730.db2.gz LOCOSRMVBPPCCT-GJZGRUSLSA-N 0 0 319.405 0.133 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333294330 290076480 /nfs/dbraw/zinc/07/64/80/290076480.db2.gz KZVDJLWIZNRDTL-CABCVRRESA-N 0 0 323.437 0.614 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)CCC1=O ZINC000151785905 290306027 /nfs/dbraw/zinc/30/60/27/290306027.db2.gz BLUZFFDNOJIGIP-WOPDTQHZSA-N 0 0 310.398 0.341 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)s1 ZINC000123956283 292920376 /nfs/dbraw/zinc/92/03/76/292920376.db2.gz UHKMWDNADHQTSX-JTQLQIEISA-N 0 0 323.296 0.916 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H](C)CCS(C)(=O)=O)CC[C@H]1C ZINC000187654701 293812353 /nfs/dbraw/zinc/81/23/53/293812353.db2.gz AEXRPRTWBVXDRA-GRYCIOLGSA-N 0 0 306.428 0.876 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc2ccccc2cc1O ZINC000180270329 295119948 /nfs/dbraw/zinc/11/99/48/295119948.db2.gz PUIDLZBFBDEDDZ-ZDUSSCGKSA-N 0 0 300.314 0.872 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc1F ZINC000408272929 295184107 /nfs/dbraw/zinc/18/41/07/295184107.db2.gz LBAFYEMJUBGQEF-OAHLLOKOSA-N 0 0 323.324 0.948 10 0 DCAERN NC(=O)c1ccc(NC(=O)[C@H]2COCCN2CC(F)F)cn1 ZINC000185859562 295184800 /nfs/dbraw/zinc/18/48/00/295184800.db2.gz ABSVKHCYCLNKKJ-SNVBAGLBSA-N 0 0 314.292 0.085 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC1=CCCCC1 ZINC000333526323 295283069 /nfs/dbraw/zinc/28/30/69/295283069.db2.gz PBAXUBZBOIPBOE-LBPRGKRZSA-N 0 0 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/nfs/dbraw/zinc/97/09/51/297970951.db2.gz RFDIQLSSMMLKQE-UTUOFQBUSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@H](C(=O)N(C)C[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000368901890 297985244 /nfs/dbraw/zinc/98/52/44/297985244.db2.gz QFIWYVDDNUTNET-NEPJUHHUSA-N 0 0 323.393 0.877 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)n1cncn1 ZINC000171919425 298031570 /nfs/dbraw/zinc/03/15/70/298031570.db2.gz OVBYIMUPQBLZRE-NXEZZACHSA-N 0 0 320.378 0.925 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)n1nnnc1C(C)(C)C ZINC000408141630 298091836 /nfs/dbraw/zinc/09/18/36/298091836.db2.gz VCDFTMDDHMSSNC-MXWKQRLJSA-N 0 0 322.413 0.644 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389209 300035689 /nfs/dbraw/zinc/03/56/89/300035689.db2.gz ZJIKDGXWTSHXMA-JGVFFNPUSA-N 0 0 320.802 0.348 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000332880294 300380919 /nfs/dbraw/zinc/38/09/19/300380919.db2.gz CNYRJCFWIRFSBK-ZOLYEBIHSA-N 0 0 316.423 0.676 10 0 DCAERN 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/nfs/dbraw/zinc/94/11/57/332941157.db2.gz WFLKKXAQTBVNIM-INIZCTEOSA-N 0 0 310.394 0.701 10 0 DCAERN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000582129557 332607456 /nfs/dbraw/zinc/60/74/56/332607456.db2.gz OKWQCWQGCBHPOK-CHWSQXEVSA-N 0 0 310.394 0.557 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)C1 ZINC000188616695 333050693 /nfs/dbraw/zinc/05/06/93/333050693.db2.gz HBLXTTOPOKDMSR-LLVKDONJSA-N 0 0 313.361 0.923 10 0 DCAERN COCCNC(=O)CNC(=O)c1csc(C(F)(F)F)n1 ZINC000188985969 333059987 /nfs/dbraw/zinc/05/99/87/333059987.db2.gz ZOJAFMWIWQREMK-UHFFFAOYSA-N 0 0 311.285 0.654 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCc1ccc(SC)cc1 ZINC000179096538 333146680 /nfs/dbraw/zinc/14/66/80/333146680.db2.gz NBTRQZQHWGRITR-UHFFFAOYSA-N 0 0 302.421 0.964 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000387739473 333168432 /nfs/dbraw/zinc/16/84/32/333168432.db2.gz XANLXVIIMXKTJF-RYUDHWBXSA-N 0 0 318.439 0.420 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 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307.394 0.632 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000176108765 534221481 /nfs/dbraw/zinc/22/14/81/534221481.db2.gz AMYNYSKIXQMDMA-NEPJUHHUSA-N 0 0 303.428 0.852 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)C[C@H](C)O1 ZINC000177280958 534304455 /nfs/dbraw/zinc/30/44/55/534304455.db2.gz UBXRNPGIIFTLJP-JFGNBEQYSA-N 0 0 310.316 0.621 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1CO ZINC000188864537 534334250 /nfs/dbraw/zinc/33/42/50/534334250.db2.gz BQEBPSSRVKARPM-KXUCPTDWSA-N 0 0 323.315 0.419 10 0 DCAERN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cn3cccnc3n2)C1 ZINC000544876135 518199302 /nfs/dbraw/zinc/19/93/02/518199302.db2.gz URJOUVFPBRJVBF-LLVKDONJSA-N 0 0 314.349 0.405 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000189953473 519647580 /nfs/dbraw/zinc/64/75/80/519647580.db2.gz NUQZZDCEQOGBQL-UHFFFAOYSA-N 0 0 322.340 0.085 10 0 DCAERN CC(=O)NC1CN(C(=O)c2nc(Br)cs2)C1 ZINC000191477143 519648666 /nfs/dbraw/zinc/64/86/66/519648666.db2.gz DFJHMRPNRFBYMG-UHFFFAOYSA-N 0 0 304.169 0.866 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000188549800 519649641 /nfs/dbraw/zinc/64/96/41/519649641.db2.gz BEIWXMYUNZCGHQ-UHFFFAOYSA-N 0 0 323.296 0.609 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000188548838 519649743 /nfs/dbraw/zinc/64/97/43/519649743.db2.gz XLFQRJORMBNFSQ-UHFFFAOYSA-N 0 0 303.771 0.385 10 0 DCAERN CC(C)OC[C@@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105902397 519772102 /nfs/dbraw/zinc/77/21/02/519772102.db2.gz UHVGSJYVVOXVCJ-ZDUSSCGKSA-N 0 0 320.397 0.032 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H](C)[C@H](C)CO)N1CCCS1(=O)=O ZINC000245642509 519809738 /nfs/dbraw/zinc/80/97/38/519809738.db2.gz IAQXQQRCJVDTPR-GRYCIOLGSA-N 0 0 306.428 0.180 10 0 DCAERN NC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000171992246 534455557 /nfs/dbraw/zinc/45/55/57/534455557.db2.gz UKNBQKPYQYIUQI-NXEZZACHSA-N 0 0 307.316 0.737 10 0 DCAERN Cc1[nH]c(=O)c(C(=O)N2CC(CO)C2)cc1Br ZINC000153325442 534500718 /nfs/dbraw/zinc/50/07/18/534500718.db2.gz KWOWTXSJLABQOJ-UHFFFAOYSA-N 0 0 301.140 0.922 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000156722861 520764329 /nfs/dbraw/zinc/76/43/29/520764329.db2.gz QJKJPTBCLVRYJT-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN CCOc1ccc(CNC(=O)CN(C)C(=O)COC)cc1F ZINC000130877687 520984623 /nfs/dbraw/zinc/98/46/23/520984623.db2.gz NBMKZUGTENDIEM-UHFFFAOYSA-N 0 0 312.341 0.945 10 0 DCAERN CCN(CCC(=O)OC)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060298 520993703 /nfs/dbraw/zinc/99/37/03/520993703.db2.gz XQLKPRYWIFZTGI-UHFFFAOYSA-N 0 0 309.775 0.647 10 0 DCAERN CCOC(=O)[C@@](C)(CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000188942477 521146308 /nfs/dbraw/zinc/14/63/08/521146308.db2.gz KAQIPYJTOFONLZ-PXAZEXFGSA-N 0 0 318.373 0.760 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cncnc2)C1 ZINC000130177420 521289807 /nfs/dbraw/zinc/28/98/07/521289807.db2.gz OLZWBOUIHOVYSY-AWEZNQCLSA-N 0 0 320.393 0.710 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163322259 521655563 /nfs/dbraw/zinc/65/55/63/521655563.db2.gz ZFONWCCVIIBTEK-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000248510952 521656454 /nfs/dbraw/zinc/65/64/54/521656454.db2.gz ARIQDFDGSVTECW-STQMWFEESA-N 0 0 320.455 0.978 10 0 DCAERN CCC1(CC)CN(CC(=O)NC[C@H]2CCCO2)CC[S@@]1=O ZINC000248913129 521690770 /nfs/dbraw/zinc/69/07/70/521690770.db2.gz CMIVFCJPNKQICQ-LRTDBIEQSA-N 0 0 316.467 0.905 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000105898686 521713791 /nfs/dbraw/zinc/71/37/91/521713791.db2.gz CNOKRSKYWWTUCO-KGLIPLIRSA-N 0 0 309.414 0.846 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000127578887 521740246 /nfs/dbraw/zinc/74/02/46/521740246.db2.gz ASUJBWBRGHWTFA-LLVKDONJSA-N 0 0 305.382 0.753 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C1(c2ccc(F)cc2)CC1 ZINC000178721686 534602481 /nfs/dbraw/zinc/60/24/81/534602481.db2.gz CCXBLVPTNVLYJR-OAHLLOKOSA-N 0 0 303.381 0.973 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000190125286 522202209 /nfs/dbraw/zinc/20/22/09/522202209.db2.gz QAEOJJNXIADNOF-UHFFFAOYSA-N 0 0 311.363 0.456 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)n2)CC1 ZINC000193489070 522205082 /nfs/dbraw/zinc/20/50/82/522205082.db2.gz AMGMXNPSWMWQQM-CYBMUJFWSA-N 0 0 320.393 0.244 10 0 DCAERN CN(C)c1ncc(NC(=O)NCC(=O)N2CCCCC2)cn1 ZINC000154477897 522354561 /nfs/dbraw/zinc/35/45/61/522354561.db2.gz FUUFHGLPSZJCDR-UHFFFAOYSA-N 0 0 306.370 0.677 10 0 DCAERN CN(CC(=O)N[C@H]1CCO[C@H]1c1ccccc1)S(C)(=O)=O ZINC000245427931 522493717 /nfs/dbraw/zinc/49/37/17/522493717.db2.gz WLXZCFQUPYZXCG-JSGCOSHPSA-N 0 0 312.391 0.524 10 0 DCAERN COC[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000124416219 522551108 /nfs/dbraw/zinc/55/11/08/522551108.db2.gz LHOAULHKYIVNAC-VIFPVBQESA-N 0 0 320.436 0.734 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000126410113 523198331 /nfs/dbraw/zinc/19/83/31/523198331.db2.gz QILITTBNYWIXFK-PWSUYJOCSA-N 0 0 312.391 0.799 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1CCOC ZINC000189826952 523263379 /nfs/dbraw/zinc/26/33/79/523263379.db2.gz DVQATBGCZKBCOQ-AWEZNQCLSA-N 0 0 324.425 0.712 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134131666 523320967 /nfs/dbraw/zinc/32/09/67/523320967.db2.gz WMCHOEHGPGCBRI-RYUDHWBXSA-N 0 0 306.366 0.761 10 0 DCAERN CCn1cc(C(=O)N[C@H]2CCCn3nc(COC)nc32)cn1 ZINC000155401916 523342828 /nfs/dbraw/zinc/34/28/28/523342828.db2.gz LAJAYEZZPZNWGY-NSHDSACASA-N 0 0 304.354 0.906 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126925954 523417131 /nfs/dbraw/zinc/41/71/31/523417131.db2.gz IXUBAZCFBWCAAQ-ZDUSSCGKSA-N 0 0 323.397 0.995 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)=O)CCO2)cn1 ZINC000191596136 523464823 /nfs/dbraw/zinc/46/48/23/523464823.db2.gz CTXKXSDJAGYZIA-GJZGRUSLSA-N 0 0 320.393 0.814 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)NCC(=O)NC(C)C)CCO2)cn1 ZINC000190564187 523480452 /nfs/dbraw/zinc/48/04/52/523480452.db2.gz OTSQBDSJOWBHKQ-CYBMUJFWSA-N 0 0 323.397 0.511 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000181008667 523577504 /nfs/dbraw/zinc/57/75/04/523577504.db2.gz GPJGOIPPUPPXFH-SNVBAGLBSA-N 0 0 315.805 0.546 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127455831 523626435 /nfs/dbraw/zinc/62/64/35/523626435.db2.gz SQPYDMNIEVJHRS-LBPRGKRZSA-N 0 0 320.436 0.944 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)c1C ZINC000153766940 523648204 /nfs/dbraw/zinc/64/82/04/523648204.db2.gz HBHNWGWHSIHMFG-NSHDSACASA-N 0 0 321.381 0.195 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnn(-c2ccccc2)n1 ZINC000109760769 523766576 /nfs/dbraw/zinc/76/65/76/523766576.db2.gz FTWJYOGQUMZNST-KGLIPLIRSA-N 0 0 302.334 0.376 10 0 DCAERN COCCN1CCCN(C(=O)NCc2cc(C)no2)CC1=O ZINC000189158767 523820558 /nfs/dbraw/zinc/82/05/58/523820558.db2.gz XEQNHKLOSIJIQJ-UHFFFAOYSA-N 0 0 310.354 0.373 10 0 DCAERN CN1CCC[C@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161784561 523853157 /nfs/dbraw/zinc/85/31/57/523853157.db2.gz CIIOTWGEAUMUGL-JTQLQIEISA-N 0 0 302.421 0.976 10 0 DCAERN COc1ccc(CC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)nc1 ZINC000366029324 523894676 /nfs/dbraw/zinc/89/46/76/523894676.db2.gz BPXMGYDPWITHMA-CYBMUJFWSA-N 0 0 317.349 0.659 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)Nc1cccc(C)c1 ZINC000189568500 523996931 /nfs/dbraw/zinc/99/69/31/523996931.db2.gz XFYBXNHAYHVRIT-DZGCQCFKSA-N 0 0 306.362 0.932 10 0 DCAERN CO[C@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC[C@H]1C ZINC000188073870 524004266 /nfs/dbraw/zinc/00/42/66/524004266.db2.gz QCQKASXPZOYPHY-DOMZBBRYSA-N 0 0 320.389 0.934 10 0 DCAERN CN1C[C@H](NC(=O)CCNC(=O)Cc2ccccc2)CCC1=O ZINC000134094864 524022573 /nfs/dbraw/zinc/02/25/73/524022573.db2.gz IQFWZWJHCNHHAK-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@H]2C[C@H](C)O)cc1 ZINC000156830608 524051139 /nfs/dbraw/zinc/05/11/39/524051139.db2.gz FXPQCCLCCLLYLX-DZGCQCFKSA-N 0 0 322.405 0.783 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCS1 ZINC000191100155 524527674 /nfs/dbraw/zinc/52/76/74/524527674.db2.gz SUKATVQRAFJRSY-NSHDSACASA-N 0 0 320.418 0.595 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H](C(N)=O)O1 ZINC000157361003 524860308 /nfs/dbraw/zinc/86/03/08/524860308.db2.gz OKZSUBSXCNNGSC-BXKDBHETSA-N 0 0 316.317 0.451 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000267689777 524908785 /nfs/dbraw/zinc/90/87/85/524908785.db2.gz GGJOCIMJRWIACJ-CMPLNLGQSA-N 0 0 305.382 0.924 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(CO)C3)cn2)CCO1 ZINC000190918878 525062914 /nfs/dbraw/zinc/06/29/14/525062914.db2.gz RYWISIRHZZSNIA-GFCCVEGCSA-N 0 0 320.393 0.440 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3C[C@@H]3C)C2=O)n(C)n1 ZINC000176344056 525070449 /nfs/dbraw/zinc/07/04/49/525070449.db2.gz XPXFGPRXTLBKOO-ZMLRMANQSA-N 0 0 305.382 0.932 10 0 DCAERN C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)[C@H](C)CO ZINC000131600989 525096145 /nfs/dbraw/zinc/09/61/45/525096145.db2.gz HTYBTDHUVHVKQS-VXGBXAGGSA-N 0 0 305.378 0.863 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)n(-c2ccc(C)nn2)n1 ZINC000187924163 525112655 /nfs/dbraw/zinc/11/26/55/525112655.db2.gz IJLWXLGWSYDREK-KWQFWETISA-N 0 0 314.349 0.742 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@@H]1CCOC1 ZINC000266474331 525171625 /nfs/dbraw/zinc/17/16/25/525171625.db2.gz BAERBMVKPUHUTR-CHWSQXEVSA-N 0 0 305.382 0.733 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000190051584 525577391 /nfs/dbraw/zinc/57/73/91/525577391.db2.gz YYBPNWFCIYKMDE-JKOKRWQUSA-N 0 0 312.391 0.484 10 0 DCAERN Cc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cnn1CC(C)C ZINC000161610438 525619156 /nfs/dbraw/zinc/61/91/56/525619156.db2.gz GNTZLUGOAFWCQN-CQSZACIVSA-N 0 0 324.425 0.270 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)[nH]n2)cc1 ZINC000153464355 525726223 /nfs/dbraw/zinc/72/62/23/525726223.db2.gz BSLHBOWIDHDDCS-LLVKDONJSA-N 0 0 312.329 0.920 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)C1CCOCC1 ZINC000246177870 526063940 /nfs/dbraw/zinc/06/39/40/526063940.db2.gz VZJSEPOPLNMZTL-UBHSHLNASA-N 0 0 312.410 0.801 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCN(C(=O)CO)CC1 ZINC000156188476 526209929 /nfs/dbraw/zinc/20/99/29/526209929.db2.gz XWDUJLMVSRIFRV-LLVKDONJSA-N 0 0 321.381 0.523 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC000267007858 526267593 /nfs/dbraw/zinc/26/75/93/526267593.db2.gz MBPLVQQROHFCNI-STQMWFEESA-N 0 0 305.382 0.898 10 0 DCAERN c1cc(N2CCO[C@@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000364263587 526433538 /nfs/dbraw/zinc/43/35/38/526433538.db2.gz ZMDNMMFTNSSMED-HNNXBMFYSA-N 0 0 306.366 0.309 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1CCOCC1=O ZINC000330972855 526483846 /nfs/dbraw/zinc/48/38/46/526483846.db2.gz OLGDYRKZPJKQJQ-UHFFFAOYSA-N 0 0 305.334 0.467 10 0 DCAERN O=C(NC[C@H](O)c1ccsc1)N[C@H]1CCc2ncnn2C1 ZINC000120667025 526577399 /nfs/dbraw/zinc/57/73/99/526577399.db2.gz UVJQZLVIYNLBCP-QWRGUYRKSA-N 0 0 307.379 0.687 10 0 DCAERN Cc1noc(CCNC(=O)N2CCN(CC(C)C)C(=O)C2)n1 ZINC000186522559 526608570 /nfs/dbraw/zinc/60/85/70/526608570.db2.gz QWXCUPCXNDQIIM-UHFFFAOYSA-N 0 0 309.370 0.430 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3cc(C)ccn3)CC2)C1 ZINC000158732762 526641441 /nfs/dbraw/zinc/64/14/41/526641441.db2.gz RQDWFUBZABSQGK-OAHLLOKOSA-N 0 0 316.405 0.907 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000269210693 526827755 /nfs/dbraw/zinc/82/77/55/526827755.db2.gz WAJAQOUCNYVWAT-STQMWFEESA-N 0 0 322.361 0.494 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)no1 ZINC000246024042 526838838 /nfs/dbraw/zinc/83/88/38/526838838.db2.gz VGOSMJJVSLOVNN-OLZOCXBDSA-N 0 0 308.382 0.980 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000188722637 526853712 /nfs/dbraw/zinc/85/37/12/526853712.db2.gz XJDMHKMCGOIEPM-LPEHRKFASA-N 0 0 323.299 0.815 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000151937754 526856151 /nfs/dbraw/zinc/85/61/51/526856151.db2.gz SVGXHXFFOQWDMK-GFCCVEGCSA-N 0 0 314.411 0.753 10 0 DCAERN Cc1nc(CN2CCN(c3ncnc4nc[nH]c43)CC2)no1 ZINC000266318831 526867351 /nfs/dbraw/zinc/86/73/51/526867351.db2.gz FGIPDAIKLGJMLH-UHFFFAOYSA-N 0 0 300.326 0.367 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000189444916 526869211 /nfs/dbraw/zinc/86/92/11/526869211.db2.gz BWGLQWJHTUXPSU-UHFFFAOYSA-N 0 0 323.418 0.654 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccncc2)C1 ZINC000245559353 526962945 /nfs/dbraw/zinc/96/29/45/526962945.db2.gz BOLMODVAUCZNKE-CABCVRRESA-N 0 0 316.405 0.942 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@@H](CO)Cc2ccccc2)cn1 ZINC000162950749 527063635 /nfs/dbraw/zinc/06/36/35/527063635.db2.gz VEYFKPNFHUFVIV-CYBMUJFWSA-N 0 0 314.345 0.906 10 0 DCAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187989217 527188634 /nfs/dbraw/zinc/18/86/34/527188634.db2.gz LPFGJADBLGXQSN-UHFFFAOYSA-N 0 0 322.752 0.411 10 0 DCAERN Cn1cc(NC(=O)CCc2cc(F)ccc2F)c(=O)n(C)c1=O ZINC000150737572 527263112 /nfs/dbraw/zinc/26/31/12/527263112.db2.gz UCSWOOABVFDZLI-UHFFFAOYSA-N 0 0 323.299 0.934 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000159320520 527282799 /nfs/dbraw/zinc/28/27/99/527282799.db2.gz FRXQHJQQZQQRAR-UHFFFAOYSA-N 0 0 309.395 0.722 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000162557737 527285075 /nfs/dbraw/zinc/28/50/75/527285075.db2.gz DNWJLICKORLRSU-VHSXEESVSA-N 0 0 310.780 0.272 10 0 DCAERN O=S1(=O)CC[C@@H](N2CCN(c3ccnc(C4CC4)n3)CC2)C1 ZINC000264618480 527309205 /nfs/dbraw/zinc/30/92/05/527309205.db2.gz HNBWEYNFSABETP-CYBMUJFWSA-N 0 0 322.434 0.663 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000268435394 527310894 /nfs/dbraw/zinc/31/08/94/527310894.db2.gz JXGOSSONABEVQC-DZGCQCFKSA-N 0 0 308.382 0.856 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000268435397 527326350 /nfs/dbraw/zinc/32/63/50/527326350.db2.gz JXGOSSONABEVQC-HIFRSBDPSA-N 0 0 308.382 0.856 10 0 DCAERN Nc1cc(CN2CCN(c3ccc4nncn4n3)CC2)ccn1 ZINC000191482463 527449837 /nfs/dbraw/zinc/44/98/37/527449837.db2.gz ZPFMNSQZFVBSTM-UHFFFAOYSA-N 0 0 310.365 0.424 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000174780549 527476585 /nfs/dbraw/zinc/47/65/85/527476585.db2.gz FHALYHJATNTJDA-STQMWFEESA-N 0 0 309.410 0.747 10 0 DCAERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000162983835 527597465 /nfs/dbraw/zinc/59/74/65/527597465.db2.gz KVSVJOOZCVHNDH-CYBMUJFWSA-N 0 0 319.409 0.930 10 0 DCAERN Cn1nccc1CNC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000153748159 527609368 /nfs/dbraw/zinc/60/93/68/527609368.db2.gz JTDIIDPPHQOEOB-GFCCVEGCSA-N 0 0 305.313 0.585 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@]34CCOC4=O)cc21 ZINC000186502225 527647357 /nfs/dbraw/zinc/64/73/57/527647357.db2.gz IIPUVBUGCRWQOV-OAHLLOKOSA-N 0 0 300.318 0.890 10 0 DCAERN O=C(NCCCO)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000185582578 527678896 /nfs/dbraw/zinc/67/88/96/527678896.db2.gz SOFRBYOIRGUXBS-UHFFFAOYSA-N 0 0 312.345 0.239 10 0 DCAERN Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)cc12 ZINC000157479578 527687656 /nfs/dbraw/zinc/68/76/56/527687656.db2.gz QOCBJIPPXGAFAB-GMSGAONNSA-N 0 0 322.390 0.658 10 0 DCAERN CCC1(NC(=O)C(=O)Nc2cc(CCOC)nn2C)CCC1 ZINC000194639688 527772830 /nfs/dbraw/zinc/77/28/30/527772830.db2.gz PUMPRTWMIOHYPD-UHFFFAOYSA-N 0 0 308.382 0.996 10 0 DCAERN CCCC(O)(CCC)CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000161723419 528005092 /nfs/dbraw/zinc/00/50/92/528005092.db2.gz BNKVFIVOWGUVJR-LBPRGKRZSA-N 0 0 320.455 0.858 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N2CCCC2)C1 ZINC000154656943 528401705 /nfs/dbraw/zinc/40/17/05/528401705.db2.gz ADXBVUGZSXNJLX-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN CCOC(=O)CN(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000299614763 528787514 /nfs/dbraw/zinc/78/75/14/528787514.db2.gz IDZBYILJXPSANN-NSHDSACASA-N 0 0 320.345 0.138 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000400295989 528806745 /nfs/dbraw/zinc/80/67/45/528806745.db2.gz QOZQTBSJQQDPFW-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000153782309 528840647 /nfs/dbraw/zinc/84/06/47/528840647.db2.gz GYCMOARAJBDZAX-DGCLKSJQSA-N 0 0 324.425 0.744 10 0 DCAERN CCC1(CC)CN(C(=O)CS(=O)(=O)CC)CC[S@]1=O ZINC000186805293 529064660 /nfs/dbraw/zinc/06/46/60/529064660.db2.gz PQMIRVXZADDLNL-SFHVURJKSA-N 0 0 309.453 0.571 10 0 DCAERN CC(C)N1CC[C@H](N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1=O ZINC000299753512 529078637 /nfs/dbraw/zinc/07/86/37/529078637.db2.gz YJJBHNCDRZSXNK-NEPJUHHUSA-N 0 0 320.397 0.023 10 0 DCAERN CC1(C)CN(C(=O)[C@@H](O)C2CCCCC2)CCS1(=O)=O ZINC000188365275 529097339 /nfs/dbraw/zinc/09/73/39/529097339.db2.gz LEOQRMYGHHKCRK-LBPRGKRZSA-N 0 0 303.424 0.963 10 0 DCAERN CC[C@@H](SC)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328639456 529251227 /nfs/dbraw/zinc/25/12/27/529251227.db2.gz PNEPMKHDHBTKEO-WDEREUQCSA-N 0 0 303.428 0.822 10 0 DCAERN CC(C)(C)c1nnc2ccc(N3C[C@H](F)C[C@H]3C(N)=O)nn21 ZINC000284448857 534931542 /nfs/dbraw/zinc/93/15/42/534931542.db2.gz BHKYLQHDPULTQJ-BDAKNGLRSA-N 0 0 306.345 0.824 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CC12COC2 ZINC000457376616 535668641 /nfs/dbraw/zinc/66/86/41/535668641.db2.gz AUVTTZJGZTZMJH-NWDGAFQWSA-N 0 0 312.366 0.387 10 0 DCAERN CCc1nc(CN2CCN(C[C@H](O)C(F)(F)F)CC2)no1 ZINC000121630116 536135267 /nfs/dbraw/zinc/13/52/67/536135267.db2.gz SGUZHJJQEGKRMD-VIFPVBQESA-N 0 0 308.304 0.673 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N(C)CC[C@@H](C)O)c1 ZINC000444027808 536324502 /nfs/dbraw/zinc/32/45/02/536324502.db2.gz UMKXOOPGECNPFU-SNVBAGLBSA-N 0 0 315.395 0.829 10 0 DCAERN CC(C)[NH2+][C@@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678717 545661806 /nfs/dbraw/zinc/66/18/06/545661806.db2.gz GUCFOMBNUVAPNT-QMMMGPOBSA-N 0 0 323.134 0.939 10 0 DCAERN CCCn1nccc1NC(=O)NC1CCN(CC(=O)NC)CC1 ZINC000076078026 545676899 /nfs/dbraw/zinc/67/68/99/545676899.db2.gz QQPQLOMSJPTWIR-UHFFFAOYSA-N 0 0 322.413 0.625 10 0 DCAERN O=C(Cc1cn2ccsc2n1)N[C@@H]1CCc2ncnn2C1 ZINC000112725354 545735660 /nfs/dbraw/zinc/73/56/60/545735660.db2.gz NAVAXBVPYKADCO-SECBINFHSA-N 0 0 302.363 0.661 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N[C@@H]1CCc2ncnn2C1 ZINC000120587086 545743881 /nfs/dbraw/zinc/74/38/81/545743881.db2.gz FMLLGOJDIXGFLS-GHMZBOCLSA-N 0 0 300.384 0.081 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2COc3ccc(OC)cc3C2)C1 ZINC000121442813 545747210 /nfs/dbraw/zinc/74/72/10/545747210.db2.gz CDRFAFWJGWBYGI-GFCCVEGCSA-N 0 0 318.373 0.841 10 0 DCAERN Cc1ccc(O)c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000123304833 545755695 /nfs/dbraw/zinc/75/56/95/545755695.db2.gz NRQPLSMORHWOKM-CYBMUJFWSA-N 0 0 318.421 0.880 10 0 DCAERN C[C@@H]1CN(C[C@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000128474893 545780317 /nfs/dbraw/zinc/78/03/17/545780317.db2.gz DDPPXTPXDGNEOC-NEPJUHHUSA-N 0 0 323.359 0.538 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000157094000 545850409 /nfs/dbraw/zinc/85/04/09/545850409.db2.gz LBPLRBZDHFZJNU-CBAPKCEASA-N 0 0 304.393 0.232 10 0 DCAERN COCCc1cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)n(C)n1 ZINC000158586177 545856269 /nfs/dbraw/zinc/85/62/69/545856269.db2.gz NTUSSPYZURFMCQ-ZDUSSCGKSA-N 0 0 320.393 0.949 10 0 DCAERN O=c1[nH]c(CN2CCOC[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000168828709 545879399 /nfs/dbraw/zinc/87/93/99/545879399.db2.gz FLJJGCXBKMPVQW-JTQLQIEISA-N 0 0 309.753 0.770 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H]1CCCCNC1=O ZINC000180500082 545901381 /nfs/dbraw/zinc/90/13/81/545901381.db2.gz HEZRZROARVLQCA-CQSZACIVSA-N 0 0 321.425 0.937 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000182403103 545905274 /nfs/dbraw/zinc/90/52/74/545905274.db2.gz GTDNGIMRMMBDPR-KGLIPLIRSA-N 0 0 320.455 0.274 10 0 DCAERN CCCCN(CCCO)C(=O)NC[C@H](C)N1CCOCC1 ZINC000183362797 545907090 /nfs/dbraw/zinc/90/70/90/545907090.db2.gz QQLGFBPHGZWPTG-AWEZNQCLSA-N 0 0 301.431 0.901 10 0 DCAERN CCc1cc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)n[nH]1 ZINC000183764831 545909622 /nfs/dbraw/zinc/90/96/22/545909622.db2.gz ABXNWSLRZHPMIR-LBPRGKRZSA-N 0 0 314.411 0.971 10 0 DCAERN Cc1ccc(C(=O)NCCCn2ccnn2)cc1S(N)(=O)=O ZINC000185070259 545911694 /nfs/dbraw/zinc/91/16/94/545911694.db2.gz NRUDUDWNOMJWPD-UHFFFAOYSA-N 0 0 323.378 0.054 10 0 DCAERN COC1(CNC(=O)c2ccc3nnn(C)c3c2)CCOCC1 ZINC000185097251 545911710 /nfs/dbraw/zinc/91/17/10/545911710.db2.gz MPIUCTRETIFEBV-UHFFFAOYSA-N 0 0 304.350 0.894 10 0 DCAERN CCOc1cnc(C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000189145372 545918901 /nfs/dbraw/zinc/91/89/01/545918901.db2.gz HTYNAJRCASVOOI-NSHDSACASA-N 0 0 302.338 0.944 10 0 DCAERN O=C1NC(=O)[C@@]2(CCCN(Cc3nc(-c4ccoc4)no3)C2)N1 ZINC000192658777 545927695 /nfs/dbraw/zinc/92/76/95/545927695.db2.gz KKHYFOFOXWRWQX-AWEZNQCLSA-N 0 0 317.305 0.504 10 0 DCAERN O=C(NCCc1cnc(C2CC2)nc1)N[C@@H]1CCCCNC1=O ZINC000240225368 545960873 /nfs/dbraw/zinc/96/08/73/545960873.db2.gz DHMLYJYDGREHPN-CYBMUJFWSA-N 0 0 317.393 0.864 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246056200 545962941 /nfs/dbraw/zinc/96/29/41/545962941.db2.gz VLDASZVYBHUVSU-IJLUTSLNSA-N 0 0 304.412 0.519 10 0 DCAERN Cn1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(=O)[nH]c1=O ZINC000333487331 546083462 /nfs/dbraw/zinc/08/34/62/546083462.db2.gz IICALYORTYHYCT-IZXSPOQTSA-N 0 0 303.362 0.994 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@@H]1CCCC[C@@H]1CO)CCCC2 ZINC000333536121 546083878 /nfs/dbraw/zinc/08/38/78/546083878.db2.gz KBFKGRVJZXQFFP-VXGBXAGGSA-N 0 0 307.394 0.804 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000333557214 546084880 /nfs/dbraw/zinc/08/48/80/546084880.db2.gz NNWNMDNSMUKXDF-JHJVBQTASA-N 0 0 320.393 0.908 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000401900859 546226101 /nfs/dbraw/zinc/22/61/01/546226101.db2.gz QIGVLPHGJMIQOB-CYBMUJFWSA-N 0 0 306.428 0.436 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000401906633 546226514 /nfs/dbraw/zinc/22/65/14/546226514.db2.gz UDXWMOYLFAKPNV-QWHCGFSZSA-N 0 0 306.428 0.579 10 0 DCAERN C[C@H](O)[C@H](C)N1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000446807307 546258065 /nfs/dbraw/zinc/25/80/65/546258065.db2.gz AAPXPYMFVWOVFO-KOSWAMCASA-N 0 0 305.334 0.322 10 0 DCAERN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC(CO)C1 ZINC000585225164 546303526 /nfs/dbraw/zinc/30/35/26/546303526.db2.gz SWHCWNKULUBGHP-UHFFFAOYSA-N 0 0 302.330 0.514 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671430666 547210274 /nfs/dbraw/zinc/21/02/74/547210274.db2.gz INFVYJAAFIHLJX-CYBMUJFWSA-N 0 0 316.427 0.481 10 0 DCAERN CC(C)Cn1ncnc1CN1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671550801 547244962 /nfs/dbraw/zinc/24/49/62/547244962.db2.gz HIVPDIABJQHHBH-AWEZNQCLSA-N 0 0 305.386 0.163 10 0 DCAERN CCn1cc(CC[N@@H+]2C[C@H](C(=O)N(C)C)CC[C@@H]2C(=O)[O-])cn1 ZINC000685940547 548746831 /nfs/dbraw/zinc/74/68/31/548746831.db2.gz OAWMKOPWLJXBPC-ZIAGYGMSSA-N 0 0 322.409 0.699 10 0 DCAERN CS(=O)(=O)c1cnn(-c2ccc(Br)nn2)c1 ZINC000725242371 548749161 /nfs/dbraw/zinc/74/91/61/548749161.db2.gz XVIZFZISWXLMSD-UHFFFAOYSA-N 0 0 303.141 0.828 10 0 DCAERN CNc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888093622 661158774 /nfs/dbraw/zinc/15/87/74/661158774.db2.gz LGBWYRFAKABQOR-QWHCGFSZSA-N 0 0 317.349 0.433 10 0 DCAERN COc1c(CNC(=O)[C@H]2CCNCC2(F)F)c(C)nn1C ZINC000888103100 661184591 /nfs/dbraw/zinc/18/45/91/661184591.db2.gz GPIGHEJGXXJKTQ-SNVBAGLBSA-N 0 0 302.325 0.598 10 0 DCAERN O=C(Cc1ncccc1F)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888103313 661185228 /nfs/dbraw/zinc/18/52/28/661185228.db2.gz VCBSGDXTFWIZKT-RBOXIYTFSA-N 0 0 321.352 0.706 10 0 DCAERN CS(=O)(=O)c1ccc(S(=O)(=O)c2c[nH]nc2N)cc1 ZINC000094715007 661193181 /nfs/dbraw/zinc/19/31/81/661193181.db2.gz OABQONUALRIMDI-UHFFFAOYSA-N 0 0 301.349 0.228 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ncnn1C(C)(C)C ZINC000337327847 661281167 /nfs/dbraw/zinc/28/11/67/661281167.db2.gz QTWPVXIMEAOYGG-SNVBAGLBSA-N 0 0 311.411 0.571 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000073395218 657666010 /nfs/dbraw/zinc/66/60/10/657666010.db2.gz UNXKPEIHZGRZFD-UHFFFAOYSA-N 0 0 322.796 0.795 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000176142874 657891574 /nfs/dbraw/zinc/89/15/74/657891574.db2.gz LAVSDTYAVHPSAG-STQMWFEESA-N 0 0 302.330 0.853 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C\c1ccc2ccccc2n1 ZINC000254973672 657998250 /nfs/dbraw/zinc/99/82/50/657998250.db2.gz CQRUNNARWHBGQM-LZNQSLFOSA-N 0 0 311.341 0.961 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)Nc1ccc(Cl)nc1 ZINC000725005155 658015221 /nfs/dbraw/zinc/01/52/21/658015221.db2.gz RMORMFQMUFYSHA-SECBINFHSA-N 0 0 303.771 0.450 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725004230 658016171 /nfs/dbraw/zinc/01/61/71/658016171.db2.gz JAUQKPWINUMKPI-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)c1cccc(OC)c1 ZINC000047551100 658018786 /nfs/dbraw/zinc/01/87/86/658018786.db2.gz RLKAYTLWCOOJDB-UHFFFAOYSA-N 0 0 313.357 0.000 10 0 DCAERN CCc1ccc(CNC(=O)C[C@@H]2CNCCS2(=O)=O)s1 ZINC000725025177 658028105 /nfs/dbraw/zinc/02/81/05/658028105.db2.gz UNFIYBVCMUSKAJ-GFCCVEGCSA-N 0 0 316.448 0.703 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1cccc(F)c1 ZINC000725058766 658090862 /nfs/dbraw/zinc/09/08/62/658090862.db2.gz HGTOPRXQBNIDGL-LBPRGKRZSA-N 0 0 300.355 0.219 10 0 DCAERN COCc1nn(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)c(=O)o1 ZINC000254998520 658125391 /nfs/dbraw/zinc/12/53/91/658125391.db2.gz PWEHGAUQCNMNMK-SECBINFHSA-N 0 0 321.337 0.211 10 0 DCAERN CC(=O)N1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000255003134 658134473 /nfs/dbraw/zinc/13/44/73/658134473.db2.gz AZDLHOBCDOFXNV-GFCCVEGCSA-N 0 0 319.409 0.379 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](O)Cc2ccccc21 ZINC000447715892 658155954 /nfs/dbraw/zinc/15/59/54/658155954.db2.gz ABUPIHCRAHJFHA-TZMCWYRMSA-N 0 0 306.387 0.858 10 0 DCAERN CCOc1cc2c(cc1CNC(=O)[C@@H]1CNC(=O)N1)O[C@H](C)C2 ZINC000089991027 658400235 /nfs/dbraw/zinc/40/02/35/658400235.db2.gz DHKUXCWQWIMGNY-SKDRFNHKSA-N 0 0 319.361 0.706 10 0 DCAERN Cn1c2[nH]c(NCCc3ccsc3)nc2c(=O)n(C)c1=O ZINC000049184265 658437533 /nfs/dbraw/zinc/43/75/33/658437533.db2.gz TWHGZZMEFRKRFP-UHFFFAOYSA-N 0 0 305.363 0.676 10 0 DCAERN C[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@@H](C)O1 ZINC000891394601 658672622 /nfs/dbraw/zinc/67/26/22/658672622.db2.gz WYGAQTDVBLQRFI-HTQZYQBOSA-N 0 0 305.787 0.996 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccnc2Cl)c1 ZINC000179731056 658679351 /nfs/dbraw/zinc/67/93/51/658679351.db2.gz JUMCUXXFYIPVBR-UHFFFAOYSA-N 0 0 307.741 0.995 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000178130510 658853339 /nfs/dbraw/zinc/85/33/39/658853339.db2.gz BTKNNOVGPVJZKK-CYBMUJFWSA-N 0 0 302.330 0.363 10 0 DCAERN Cc1cccnc1COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000180279577 658964279 /nfs/dbraw/zinc/96/42/79/658964279.db2.gz JTAMSHCNNNTMDD-VOTSOKGWSA-N 0 0 315.329 0.544 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)o1)C(C)(C)O ZINC000394013897 659081431 /nfs/dbraw/zinc/08/14/31/659081431.db2.gz PLPQEDWICXUTCI-MRVPVSSYSA-N 0 0 304.368 0.419 10 0 DCAERN CC(C)(C(=O)NNC(=O)CO)c1cccc(Br)c1 ZINC000182751947 659137497 /nfs/dbraw/zinc/13/74/97/659137497.db2.gz LTEUIWKGYQFUED-UHFFFAOYSA-N 0 0 315.167 0.866 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCO[C@H](Cn2cccn2)C1 ZINC000178223855 659147327 /nfs/dbraw/zinc/14/73/27/659147327.db2.gz UIGRHMTXYZCYLN-ZDUSSCGKSA-N 0 0 301.412 0.407 10 0 DCAERN COc1cc(N2CCN(CC[C@@H]3CCOC3=O)CC2)ncn1 ZINC000184075245 659210329 /nfs/dbraw/zinc/21/03/29/659210329.db2.gz SIPMNQAQJDCNDU-GFCCVEGCSA-N 0 0 306.366 0.560 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185114921 659242906 /nfs/dbraw/zinc/24/29/06/659242906.db2.gz XXUBCMVWTLULOJ-VIFPVBQESA-N 0 0 322.283 0.705 10 0 DCAERN C[C@H]1OCC[C@@H]1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187753101 659315021 /nfs/dbraw/zinc/31/50/21/659315021.db2.gz FIJFHNYVWUQYBB-SKDRFNHKSA-N 0 0 304.302 0.410 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(C=O)cc1 ZINC000053317107 659344014 /nfs/dbraw/zinc/34/40/14/659344014.db2.gz HMAYYVRCFOAJTC-AAEUAGOBSA-N 0 0 304.346 0.990 10 0 DCAERN Cc1nn(C)c(C)c1OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000192908122 659424404 /nfs/dbraw/zinc/42/44/04/659424404.db2.gz DCXZOFMBQQLMSL-VOTSOKGWSA-N 0 0 318.333 0.053 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000194075849 659477276 /nfs/dbraw/zinc/47/72/76/659477276.db2.gz NEFUBMHKNNSEMA-BYPYZUCNSA-N 0 0 322.268 0.522 10 0 DCAERN CCN1C[C@@H](COC(=O)[C@@H]2COCCN2CC(F)F)CC1=O ZINC000194941471 659524200 /nfs/dbraw/zinc/52/42/00/659524200.db2.gz DBFVAFQCUVUDBF-QWRGUYRKSA-N 0 0 320.336 0.364 10 0 DCAERN Cc1c(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)ccn1C ZINC000195277150 659541306 /nfs/dbraw/zinc/54/13/06/659541306.db2.gz MYWWKGKKMCAEBF-NSHDSACASA-N 0 0 302.421 0.893 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCS(=O)(=O)[C@H](C)C2)[nH]1 ZINC000333107082 659774659 /nfs/dbraw/zinc/77/46/59/659774659.db2.gz DUPALPQJDVSOMW-MRVPVSSYSA-N 0 0 308.363 0.525 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)[nH]1 ZINC000333261072 659777587 /nfs/dbraw/zinc/77/75/87/659777587.db2.gz MDSFDGKQNAEJEW-UHFFFAOYSA-N 0 0 322.390 0.916 10 0 DCAERN Cc1cccc(-c2noc(C[C@@H]3CS(=O)(=O)CCN3)n2)c1 ZINC000126121514 661445983 /nfs/dbraw/zinc/44/59/83/661445983.db2.gz OFYOJNBUIPJUNL-GFCCVEGCSA-N 0 0 307.375 0.974 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccnc1-n1cccn1)C(C)C ZINC000178847404 661632057 /nfs/dbraw/zinc/63/20/57/661632057.db2.gz YBIJGTCUIVMBPU-GFCCVEGCSA-N 0 0 301.350 0.768 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCCCCC1 ZINC000726150127 661652405 /nfs/dbraw/zinc/65/24/05/661652405.db2.gz AGPLVUALRQYTQE-LBPRGKRZSA-N 0 0 314.407 0.854 10 0 DCAERN OC[C@H]1COCCN1c1ncc(I)cn1 ZINC000126298553 661687608 /nfs/dbraw/zinc/68/76/08/661687608.db2.gz AGYNSDRAVCQGOK-QMMMGPOBSA-N 0 0 321.118 0.279 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000338686424 661757652 /nfs/dbraw/zinc/75/76/52/661757652.db2.gz GPNWGFNBXKYHSK-ZDUSSCGKSA-N 0 0 321.402 0.366 10 0 DCAERN CNC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000048440467 661901618 /nfs/dbraw/zinc/90/16/18/661901618.db2.gz GBJAWXIMCXOABM-SSDOTTSWSA-N 0 0 316.770 0.401 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000178925684 662027292 /nfs/dbraw/zinc/02/72/92/662027292.db2.gz GSUUUQRHGRKOOQ-ZETCQYMHSA-N 0 0 308.791 0.122 10 0 DCAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H]2CCOC2)cc1 ZINC000179013823 662109988 /nfs/dbraw/zinc/10/99/88/662109988.db2.gz GNVGAUUNNQLNFV-WXJAXGNASA-N 0 0 310.375 0.976 10 0 DCAERN C[C@@H](NC(=S)NCC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000727084309 662134314 /nfs/dbraw/zinc/13/43/14/662134314.db2.gz KERVTWKRCCJFFN-SNVBAGLBSA-N 0 0 320.418 0.824 10 0 DCAERN O=C(CCC(=O)N1CCOc2ccccc21)OCCOCCO ZINC000740246216 662142785 /nfs/dbraw/zinc/14/27/85/662142785.db2.gz MPOKYRDQMRXQJS-UHFFFAOYSA-N 0 0 323.345 0.744 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000728073420 662341783 /nfs/dbraw/zinc/34/17/83/662341783.db2.gz UDICXCRVXOGKPX-NWDGAFQWSA-N 0 0 314.407 0.519 10 0 DCAERN C[C@H](C(=O)NCc1cccnc1)n1nc(-n2cccn2)ccc1=O ZINC000070655900 665873702 /nfs/dbraw/zinc/87/37/02/665873702.db2.gz IUJAAFQAXSJEQE-GFCCVEGCSA-N 0 0 324.344 0.701 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@H]1N1CCOCC1 ZINC000262690539 662531521 /nfs/dbraw/zinc/53/15/21/662531521.db2.gz AEMSXAGMAVGIJD-GRYCIOLGSA-N 0 0 303.353 0.163 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1CC(F)(F)CN1 ZINC000262954709 662605095 /nfs/dbraw/zinc/60/50/95/662605095.db2.gz KBWGZGYBDUUIGG-LLVKDONJSA-N 0 0 307.304 0.881 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)C[C@@H]2CCCC[C@H]2O)C1 ZINC000263405115 662685372 /nfs/dbraw/zinc/68/53/72/662685372.db2.gz HNUATONGLUBKBI-GFJIZPEISA-N 0 0 312.410 0.981 10 0 DCAERN COc1ncnc(OC)c1C(=O)OCC(=O)N(C)CC1CC1 ZINC000729868762 662911641 /nfs/dbraw/zinc/91/16/41/662911641.db2.gz PDSNAJDQTQYXDC-UHFFFAOYSA-N 0 0 309.322 0.519 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@H]3CCO[C@H]3C(C)C)CC2)n[nH]1 ZINC000898181931 662943031 /nfs/dbraw/zinc/94/30/31/662943031.db2.gz CGSOOXJRVBJZKR-STQMWFEESA-N 0 0 307.398 0.823 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCNc1cccc(C)n1 ZINC000346254505 663140105 /nfs/dbraw/zinc/14/01/05/663140105.db2.gz VNMGYNWLTYYTFR-LBPRGKRZSA-N 0 0 308.407 0.840 10 0 DCAERN COC(=O)C[C@@H](NC(=O)c1ccnc2[nH]c(C)nc21)C(=O)OC ZINC000435455061 663198327 /nfs/dbraw/zinc/19/83/27/663198327.db2.gz CQNXCGOPGGWNLC-SECBINFHSA-N 0 0 320.305 0.101 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC(c3nccs3)CC2)C1=O ZINC000900510708 663251468 /nfs/dbraw/zinc/25/14/68/663251468.db2.gz GJWDNDZLWYBLJS-LLVKDONJSA-N 0 0 309.391 0.706 10 0 DCAERN CCOC(=O)[C@H]1CCCN(CC(=O)N2CCn3ccnc3C2)C1 ZINC000900664765 663268191 /nfs/dbraw/zinc/26/81/91/663268191.db2.gz FLLIIELROARVOI-ZDUSSCGKSA-N 0 0 320.393 0.500 10 0 DCAERN CS(=O)(=O)N1CC(C(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000900712661 663274593 /nfs/dbraw/zinc/27/45/93/663274593.db2.gz VNWGFOUGXZDYQM-LBPRGKRZSA-N 0 0 312.395 0.355 10 0 DCAERN COC(=O)CSCCNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435701174 663298719 /nfs/dbraw/zinc/29/87/19/663298719.db2.gz NXPYLWBADDKIHG-UHFFFAOYSA-N 0 0 308.363 0.902 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000347170247 663430524 /nfs/dbraw/zinc/43/05/24/663430524.db2.gz NVPPKEHLLPMFBV-GFCCVEGCSA-N 0 0 322.390 0.715 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCCC[C@@H]1CC ZINC000031475054 663587832 /nfs/dbraw/zinc/58/78/32/663587832.db2.gz URSXLJUKZJFNPE-JKSUJKDBSA-N 0 0 317.433 0.756 10 0 DCAERN O=C(c1cc2c(cc1O)OCO2)N1CCN2CCOC[C@H]2C1 ZINC000436983507 663604882 /nfs/dbraw/zinc/60/48/82/663604882.db2.gz WWFUOYHGCIKCMF-SNVBAGLBSA-N 0 0 306.318 0.278 10 0 DCAERN O=C(COc1ccccc1F)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909148762 663783581 /nfs/dbraw/zinc/78/35/81/663783581.db2.gz MFQFPOOCWIMMEH-LALPHHSUSA-N 0 0 305.309 0.892 10 0 DCAERN CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909187005 663784590 /nfs/dbraw/zinc/78/45/90/663784590.db2.gz WSFZGZUDJDDJKE-KLHDSHLOSA-N 0 0 315.373 0.931 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c2c1CCCC2 ZINC000909189146 663785939 /nfs/dbraw/zinc/78/59/39/663785939.db2.gz WYIGUQRTVBMTEK-KYOSRNDESA-N 0 0 315.377 0.600 10 0 DCAERN Cn1cc(C(=O)N2CC(N3CCOCC3)C2)c([C@H]2CCOC2)n1 ZINC000911638581 664090680 /nfs/dbraw/zinc/09/06/80/664090680.db2.gz LZQWZDOBSGEQPF-LBPRGKRZSA-N 0 0 320.393 0.081 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCOC[C@H]1CO)C2 ZINC000912421707 664174448 /nfs/dbraw/zinc/17/44/48/664174448.db2.gz JTZJWNRTNDJBST-CHWSQXEVSA-N 0 0 307.346 0.466 10 0 DCAERN O=C(Nc1ccc(C(=O)N2CCOC[C@@H]2CO)cc1)C1CC1 ZINC000912427738 664175077 /nfs/dbraw/zinc/17/50/77/664175077.db2.gz OSISMPQZJDMDLQ-AWEZNQCLSA-N 0 0 304.346 0.868 10 0 DCAERN O=C(CN1CCOC1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912937175 664247106 /nfs/dbraw/zinc/24/71/06/664247106.db2.gz GCYSDNDBRHGGOP-LLVKDONJSA-N 0 0 305.338 0.381 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@@]2(CO)COCCN2)cc1 ZINC000913189520 664285962 /nfs/dbraw/zinc/28/59/62/664285962.db2.gz YQEKCVCJDZTQDW-BLLLJJGKSA-N 0 0 308.378 0.266 10 0 DCAERN CC(=O)NC[C@@H](C)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000156799076 664390974 /nfs/dbraw/zinc/39/09/74/664390974.db2.gz VBXGAACHYIAHDK-MRVPVSSYSA-N 0 0 323.740 0.997 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 ZINC000165283816 664407479 /nfs/dbraw/zinc/40/74/79/664407479.db2.gz QSDLNQMYONEYLC-FRRDWIJNSA-N 0 0 310.394 0.997 10 0 DCAERN O=c1cccnn1CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000056656749 664408356 /nfs/dbraw/zinc/40/83/56/664408356.db2.gz OATJBYAWWWSNPH-XYOKQWHBSA-N 0 0 305.359 0.834 10 0 DCAERN NC(=O)CNC(=O)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223405095 664408373 /nfs/dbraw/zinc/40/83/73/664408373.db2.gz XXOGOTGTJBOPJO-CYBMUJFWSA-N 0 0 314.345 0.260 10 0 DCAERN O=C(NCCO)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223388111 664408377 /nfs/dbraw/zinc/40/83/77/664408377.db2.gz XLXUVLDJFRDLID-AWEZNQCLSA-N 0 0 301.346 0.767 10 0 DCAERN O=C([O-])c1nccnc1C(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000223548090 664416323 /nfs/dbraw/zinc/41/63/23/664416323.db2.gz ADALKGBYCGVCSN-UHFFFAOYSA-N 0 0 304.350 0.781 10 0 DCAERN Cc1nc(N[C@H]2CCS(=O)(=O)C2)c2c(n1)N[C@@H](C)C(=O)N2 ZINC000224020516 664428769 /nfs/dbraw/zinc/42/87/69/664428769.db2.gz GCCYLPXTXGAWPW-XPUUQOCRSA-N 0 0 311.367 0.137 10 0 DCAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCOC[C@@H]1CO ZINC000168451230 664524080 /nfs/dbraw/zinc/52/40/80/664524080.db2.gz ZPGNMXGEJBZZAF-LBPRGKRZSA-N 0 0 312.753 0.290 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228790655 664576886 /nfs/dbraw/zinc/57/68/86/664576886.db2.gz ZGJYTIZXRAMEMD-ZJUUUORDSA-N 0 0 307.368 0.010 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@@H](Cc3noc(C)n3)C2)n1 ZINC000171357649 664607555 /nfs/dbraw/zinc/60/75/55/664607555.db2.gz JYMCITXLVMXEKW-NSHDSACASA-N 0 0 320.353 0.668 10 0 DCAERN CCN(C(=O)[C@H]1CNC(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC000171480927 664608938 /nfs/dbraw/zinc/60/89/38/664608938.db2.gz NQEPITHMCJUCCV-LLVKDONJSA-N 0 0 310.375 0.668 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000173078181 664626860 /nfs/dbraw/zinc/62/68/60/664626860.db2.gz QWRNKVFOFCGCBX-LLVKDONJSA-N 0 0 312.439 0.538 10 0 DCAERN CCC[C@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000173350254 664628660 /nfs/dbraw/zinc/62/86/60/664628660.db2.gz FWIMWJHYCFBDEE-RYUDHWBXSA-N 0 0 303.428 0.216 10 0 DCAERN CCCn1cc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000174282610 664638111 /nfs/dbraw/zinc/63/81/11/664638111.db2.gz JQHSMGUEJHBWRV-AATRIKPKSA-N 0 0 317.349 0.342 10 0 DCAERN CCOCCCCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000174563695 664640313 /nfs/dbraw/zinc/64/03/13/664640313.db2.gz UKDXIWRTKYXUML-BQYQJAHWSA-N 0 0 310.350 0.457 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000074813716 664657326 /nfs/dbraw/zinc/65/73/26/664657326.db2.gz UOJQYDAHCBIURE-MNOVXSKESA-N 0 0 306.428 0.802 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2ccsc2)c(=O)n(C)c1=O ZINC000174637568 664657697 /nfs/dbraw/zinc/65/76/97/664657697.db2.gz NLRAAHLCQLXZNQ-ONEGZZNKSA-N 0 0 306.343 0.902 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000730311052 664683778 /nfs/dbraw/zinc/68/37/78/664683778.db2.gz KSBSNYNKLCDBFD-GFCCVEGCSA-N 0 0 324.358 0.795 10 0 DCAERN CCn1c(C)nn(CN2CCS(=O)(=O)[C@@H](C)C2)c1=S ZINC000151584825 664707465 /nfs/dbraw/zinc/70/74/65/664707465.db2.gz QDEIWLVLRSYUEK-VIFPVBQESA-N 0 0 304.441 0.819 10 0 DCAERN C[C@H]1CN(Cn2ncn(C3CC3)c2=S)CCS1(=O)=O ZINC000151586958 664707357 /nfs/dbraw/zinc/70/73/57/664707357.db2.gz TVMPNNPQTMOLQU-VIFPVBQESA-N 0 0 302.425 0.825 10 0 DCAERN O=c1n(CN2CCO[C@@H](c3nccs3)C2)nc2ccccn21 ZINC000152255186 664742907 /nfs/dbraw/zinc/74/29/07/664742907.db2.gz BNLRINGDKNLJBY-LLVKDONJSA-N 0 0 317.374 0.984 10 0 DCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)[C@@H](O)C3CC3)cc2NC1=O ZINC000730876966 664824281 /nfs/dbraw/zinc/82/42/81/664824281.db2.gz BVJZWZSDPUHKNT-RTHLEPHNSA-N 0 0 319.313 0.903 10 0 DCAERN CC(=O)OC1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000153544526 664881069 /nfs/dbraw/zinc/88/10/69/664881069.db2.gz GUSLSYXGQYXEPV-AWEZNQCLSA-N 0 0 320.393 0.861 10 0 DCAERN C/C(=C/C(=O)OCC(=O)N1CCNC(=O)C1)c1cccc(F)c1 ZINC000732372370 664923203 /nfs/dbraw/zinc/92/32/03/664923203.db2.gz NUJCUVOEUVTNKX-XFFZJAGNSA-N 0 0 320.320 0.731 10 0 DCAERN Cc1cnc(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)o1 ZINC000174807619 664926913 /nfs/dbraw/zinc/92/69/13/664926913.db2.gz REFPFCIQBVNESF-UHFFFAOYSA-N 0 0 315.285 0.730 10 0 DCAERN Cn1nccc1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175179659 665315374 /nfs/dbraw/zinc/31/53/74/665315374.db2.gz GOIQXMVBUAVASA-UHFFFAOYSA-N 0 0 320.393 0.521 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CSC(=O)N1 ZINC000175455347 665325277 /nfs/dbraw/zinc/32/52/77/665325277.db2.gz TUNNSAJTAHRGEC-VIFPVBQESA-N 0 0 306.347 0.271 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@H]2CC=CCC2)c(=O)n(C)c1=O ZINC000073509227 665388572 /nfs/dbraw/zinc/38/85/72/665388572.db2.gz VVJVKCLWBAHLLY-BCPZQOPPSA-N 0 0 304.346 0.997 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)Oc2cccnc2)cn1C ZINC000186339869 665403506 /nfs/dbraw/zinc/40/35/06/665403506.db2.gz VYPYQIKOTSGVEP-UHFFFAOYSA-N 0 0 309.347 0.890 10 0 DCAERN CN(C)C(=O)CNC(=O)c1ccc(N)c(Br)c1 ZINC000071395144 666060300 /nfs/dbraw/zinc/06/03/00/666060300.db2.gz VRZGUFQFOKWCCK-UHFFFAOYSA-N 0 0 300.156 0.849 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H](O)c1ccccc1F ZINC000183566561 666069432 /nfs/dbraw/zinc/06/94/32/666069432.db2.gz DTMXWWINPISWKN-ZDUSSCGKSA-N 0 0 307.329 0.840 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)NCCCn2ccnn2)cc1 ZINC000183571445 666069736 /nfs/dbraw/zinc/06/97/36/666069736.db2.gz HFGMNXLYDYTSES-AWEZNQCLSA-N 0 0 319.365 0.710 10 0 DCAERN C[C@@H](CN1CCOCC1)OC(=O)c1ccc2nnn(C)c2c1 ZINC000183828044 666120044 /nfs/dbraw/zinc/12/00/44/666120044.db2.gz HPHFGYOCFXHTNW-NSHDSACASA-N 0 0 304.350 0.846 10 0 DCAERN C[C@@H](CCn1cccn1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000183840193 666124304 /nfs/dbraw/zinc/12/43/04/666124304.db2.gz GZZVVOUXRPSMKJ-RYUDHWBXSA-N 0 0 315.395 0.629 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC000357294819 666150756 /nfs/dbraw/zinc/15/07/56/666150756.db2.gz AYMGRHJJQFODMT-QWHCGFSZSA-N 0 0 313.423 0.283 10 0 DCAERN Cn1nccc1CCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000184215656 666191303 /nfs/dbraw/zinc/19/13/03/666191303.db2.gz OLZFJPFHVFWNIX-UHFFFAOYSA-N 0 0 312.337 0.760 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC1(C)OCCO1)CC2 ZINC000185000675 666316329 /nfs/dbraw/zinc/31/63/29/666316329.db2.gz LIBBVMATJVBNKP-NSHDSACASA-N 0 0 323.397 0.608 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1csc(Br)n1 ZINC000700238615 666696205 /nfs/dbraw/zinc/69/62/05/666696205.db2.gz UTOCKMBZKJNYRT-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000733881407 666823730 /nfs/dbraw/zinc/82/37/30/666823730.db2.gz DSOYBIVKZUNJJD-NRFANRHFSA-N 0 0 306.391 0.825 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000733883037 666824247 /nfs/dbraw/zinc/82/42/47/666824247.db2.gz UDHXZVIIWHGPGW-UGZDLDLSSA-N 0 0 302.421 0.751 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)NCC[S@@](=O)CC)CC1=O ZINC000733963645 666832589 /nfs/dbraw/zinc/83/25/89/666832589.db2.gz XMQOPDCMDWMXNZ-GIPWTMENSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000733964620 666833008 /nfs/dbraw/zinc/83/30/08/666833008.db2.gz RJNHGHBEMKTUOD-YBTHPKLGSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)NC1CCCCC1 ZINC000733965896 666833015 /nfs/dbraw/zinc/83/30/15/666833015.db2.gz LCOQMBWEQVVQFB-FQEVSTJZSA-N 0 0 303.428 0.503 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000733967785 666833035 /nfs/dbraw/zinc/83/30/35/666833035.db2.gz YJNKFEMGENAFMN-PEBXRYMYSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000734512445 666884471 /nfs/dbraw/zinc/88/44/71/666884471.db2.gz KDATWTILGYLYFP-IBGZPJMESA-N 0 0 319.408 0.224 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cccc2c1OCCO2 ZINC000735081064 666947995 /nfs/dbraw/zinc/94/79/95/666947995.db2.gz OMNRVPNSEKDVBS-IBGZPJMESA-N 0 0 319.404 0.505 10 0 DCAERN CCS(=O)(=O)CCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000118398502 666949103 /nfs/dbraw/zinc/94/91/03/666949103.db2.gz JVSOUHLKIYUDKH-ZDUSSCGKSA-N 0 0 301.412 0.327 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000735097760 666951787 /nfs/dbraw/zinc/95/17/87/666951787.db2.gz VISQVDVOUXGOLD-OAQYLSRUSA-N 0 0 311.407 0.396 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCN(C)CC(F)(F)F ZINC000735097996 666951837 /nfs/dbraw/zinc/95/18/37/666951837.db2.gz MXWARKUWUCRNTG-HXUWFJFHSA-N 0 0 317.377 0.938 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000735116561 666956165 /nfs/dbraw/zinc/95/61/65/666956165.db2.gz PFWUFCQCAPMKHB-NRFANRHFSA-N 0 0 318.345 0.579 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000735200343 666963009 /nfs/dbraw/zinc/96/30/09/666963009.db2.gz POJIWKUCXZIOLI-OAQYLSRUSA-N 0 0 322.308 0.927 10 0 DCAERN CSCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702790099 666994207 /nfs/dbraw/zinc/99/42/07/666994207.db2.gz OGWUGNRIDPBQGZ-VHSXEESVSA-N 0 0 304.412 0.693 10 0 DCAERN COC(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702816238 666998683 /nfs/dbraw/zinc/99/86/83/666998683.db2.gz QYXHDOJDHFHDFR-GHMZBOCLSA-N 0 0 316.398 0.755 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)C(C)(F)F)C1 ZINC000702811843 666998813 /nfs/dbraw/zinc/99/88/13/666998813.db2.gz IASCJVXQXIABKG-BDAKNGLRSA-N 0 0 308.325 0.986 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ncccc2F)cn1 ZINC000862922284 667092193 /nfs/dbraw/zinc/09/21/93/667092193.db2.gz IFLVLDKADTYXRP-UONOGXRCSA-N 0 0 320.324 0.459 10 0 DCAERN CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000703498651 667092535 /nfs/dbraw/zinc/09/25/35/667092535.db2.gz WITTXTOBIWUZEZ-OCAPTIKFSA-N 0 0 303.771 0.619 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391321 667124117 /nfs/dbraw/zinc/12/41/17/667124117.db2.gz QNKUGRZDFWHRSX-TZMCWYRMSA-N 0 0 305.378 0.820 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1nc(Br)cs1 ZINC000120183831 667275278 /nfs/dbraw/zinc/27/52/78/667275278.db2.gz XKAJHENPRNQNTO-SCSAIBSYSA-N 0 0 318.152 0.441 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC000705325876 667304194 /nfs/dbraw/zinc/30/41/94/667304194.db2.gz VXRPIAAQRFMYIY-PHIMTYICSA-N 0 0 319.810 0.870 10 0 DCAERN COC(=O)N(C)CCN(C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708187024 667442223 /nfs/dbraw/zinc/44/22/23/667442223.db2.gz FLGCXRDHUZJEIE-UHFFFAOYSA-N 0 0 306.384 0.458 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1ccnc(Cl)c1 ZINC000708235647 667442292 /nfs/dbraw/zinc/44/22/92/667442292.db2.gz RBUJAKYDJUMUAH-UHFFFAOYSA-N 0 0 305.787 0.793 10 0 DCAERN C[C@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)NC(C)(C)C ZINC000708242489 667442505 /nfs/dbraw/zinc/44/25/05/667442505.db2.gz XEXHTWHJCCVQMN-VIFPVBQESA-N 0 0 304.412 0.721 10 0 DCAERN CC(C)(C)n1cc(CNC(C)(C)CNS(C)(=O)=O)nn1 ZINC000708373685 667443014 /nfs/dbraw/zinc/44/30/14/667443014.db2.gz ROQFPGHIRAAPAE-UHFFFAOYSA-N 0 0 303.432 0.451 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCCC3(C2)OCCO3)C1 ZINC000133944021 667494170 /nfs/dbraw/zinc/49/41/70/667494170.db2.gz PGWSFZYTXXFNMA-GFCCVEGCSA-N 0 0 304.412 0.802 10 0 DCAERN CC(=O)CCN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000135591457 667612796 /nfs/dbraw/zinc/61/27/96/667612796.db2.gz UDIMVNWGXOOULC-CQSZACIVSA-N 0 0 316.361 0.544 10 0 DCAERN Cc1coc(C)c1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886077890 667729250 /nfs/dbraw/zinc/72/92/50/667729250.db2.gz QOUHOLAYTXOWEB-MRXNPFEDSA-N 0 0 321.377 0.299 10 0 DCAERN COc1nccnc1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886088434 667730596 /nfs/dbraw/zinc/73/05/96/667730596.db2.gz GXICYVIZVDNZKL-HNNXBMFYSA-N 0 0 318.381 0.183 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2c(C)noc2C)C1=O ZINC000886087968 667730730 /nfs/dbraw/zinc/73/07/30/667730730.db2.gz FTPTZYRUKPKJLZ-ZDUSSCGKSA-N 0 0 309.366 0.935 10 0 DCAERN CC[S@](=O)CCNC(=O)NC1CCC(C(=O)OC)CC1 ZINC000741086355 667758573 /nfs/dbraw/zinc/75/85/73/667758573.db2.gz HBHQRCPPMMQCKY-NCEUIIIGSA-N 0 0 304.412 0.786 10 0 DCAERN CCOC(=O)N1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000741419978 667770521 /nfs/dbraw/zinc/77/05/21/667770521.db2.gz GKFLFLAGMPTXGQ-HXUWFJFHSA-N 0 0 305.400 0.239 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000741422639 667770940 /nfs/dbraw/zinc/77/09/40/667770940.db2.gz KWOQNHSPCXXSMW-QFIPXVFZSA-N 0 0 322.394 0.861 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccccc1Cn1cncn1 ZINC000742657687 667796391 /nfs/dbraw/zinc/79/63/91/667796391.db2.gz FPIOOZHYVLGJHT-NRFANRHFSA-N 0 0 306.391 0.825 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)Cc1ccc(Br)cc1F ZINC000717420395 667799540 /nfs/dbraw/zinc/79/95/40/667799540.db2.gz VGZZHLWLANDEAI-WRWORJQWSA-N 0 0 320.158 0.989 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000743144175 667803857 /nfs/dbraw/zinc/80/38/57/667803857.db2.gz XJFHGNTUCBQSBV-FQEVSTJZSA-N 0 0 301.343 0.815 10 0 DCAERN Cn1cnc2c1nccc2C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886999512 667831271 /nfs/dbraw/zinc/83/12/71/667831271.db2.gz QGFBDKSKNNTUHF-VXGBXAGGSA-N 0 0 316.361 0.628 10 0 DCAERN O=C1CC[C@@H]2CN(S(=O)(=O)c3ccns3)CC[C@H]2N1 ZINC000717687106 667875748 /nfs/dbraw/zinc/87/57/48/667875748.db2.gz FQXCKHQZFNVOEW-RKDXNWHRSA-N 0 0 301.393 0.432 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccn2ccccc12 ZINC000828589485 668140195 /nfs/dbraw/zinc/14/01/95/668140195.db2.gz NEENOKYQJFPSBW-CYBMUJFWSA-N 0 0 303.362 0.362 10 0 DCAERN CN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124938469 668169101 /nfs/dbraw/zinc/16/91/01/668169101.db2.gz IQRIAXPXMWUXMD-SNVBAGLBSA-N 0 0 302.421 0.483 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCN1CC(F)F ZINC000125377609 668304270 /nfs/dbraw/zinc/30/42/70/668304270.db2.gz NDOYEJLBKSGZDH-BDAKNGLRSA-N 0 0 307.366 0.999 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126446215 668596428 /nfs/dbraw/zinc/59/64/28/668596428.db2.gz CSFUVSRACOHNQE-WCQYABFASA-N 0 0 308.403 0.741 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126456746 668598242 /nfs/dbraw/zinc/59/82/42/668598242.db2.gz BLIMYAUBUVOENN-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN C[C@H](CNC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1 ZINC000126677014 668640178 /nfs/dbraw/zinc/64/01/78/668640178.db2.gz KPGQQDXCFNXCKM-OCCSQVGLSA-N 0 0 310.419 0.683 10 0 DCAERN COc1cc(F)ccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126697974 668645999 /nfs/dbraw/zinc/64/59/99/668645999.db2.gz KYJMBFAUAADSDA-JTQLQIEISA-N 0 0 316.354 0.550 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cccnc1Cl ZINC000126709946 668646497 /nfs/dbraw/zinc/64/64/97/668646497.db2.gz HVMWYLMXDUUILL-UHFFFAOYSA-N 0 0 301.759 0.695 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCOC1CCCCC1 ZINC000126779016 668657574 /nfs/dbraw/zinc/65/75/74/668657574.db2.gz DMYLBXYFKUSJAT-GFCCVEGCSA-N 0 0 318.439 0.229 10 0 DCAERN CCN(CC(=O)NC)c1ncc(I)cn1 ZINC000128032294 669111855 /nfs/dbraw/zinc/11/18/55/669111855.db2.gz LYRJDRZAPHTZAD-UHFFFAOYSA-N 0 0 320.134 0.654 10 0 DCAERN CNc1ncc(C(=O)N2CCN(c3cccnn3)CC2)s1 ZINC000130481315 669622423 /nfs/dbraw/zinc/62/24/23/669622423.db2.gz ZZVCQVUNZNALCB-UHFFFAOYSA-N 0 0 304.379 0.937 10 0 DCAERN Cc1cnc(=S)n(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000132810399 669749306 /nfs/dbraw/zinc/74/93/06/669749306.db2.gz RTXFTEYTGUTGNF-SNVBAGLBSA-N 0 0 302.425 0.502 10 0 DCAERN CC1(C)CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CCS1 ZINC000158737451 669928554 /nfs/dbraw/zinc/92/85/54/669928554.db2.gz HZRVVKRAVRPKON-JTQLQIEISA-N 0 0 306.453 0.117 10 0 DCAERN C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)N1CCOCC1 ZINC000188306278 670000061 /nfs/dbraw/zinc/00/00/61/670000061.db2.gz DEGXNWWPOBFLHE-GFCCVEGCSA-N 0 0 306.410 0.668 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OC[C@@H]1CCCCO1)c2=O ZINC000078390393 670018000 /nfs/dbraw/zinc/01/80/00/670018000.db2.gz AGJPXIFVNDXDNK-JTQLQIEISA-N 0 0 306.322 0.242 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000078432504 670030074 /nfs/dbraw/zinc/03/00/74/670030074.db2.gz AZCZUCOELNUGIT-UKRRQHHQSA-N 0 0 307.394 0.740 10 0 DCAERN Cn1nccc1CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188923723 670066170 /nfs/dbraw/zinc/06/61/70/670066170.db2.gz PPWREQJBIJOYIC-UHFFFAOYSA-N 0 0 305.382 0.273 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000189131240 670092587 /nfs/dbraw/zinc/09/25/87/670092587.db2.gz ZPMUNEUGGXKKHQ-KGLIPLIRSA-N 0 0 308.382 0.097 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(CN2CCOC2=S)CC1 ZINC000079033127 670152621 /nfs/dbraw/zinc/15/26/21/670152621.db2.gz BAQHYUIKGBUTOP-LBPRGKRZSA-N 0 0 314.455 0.093 10 0 DCAERN Cn1cc(CN2CCC[C@@H](C(N)=O)C2)c(Br)n1 ZINC000713861379 670171121 /nfs/dbraw/zinc/17/11/21/670171121.db2.gz UEDULPJPHXEBGE-MRVPVSSYSA-N 0 0 301.188 0.880 10 0 DCAERN CN(Cc1ccc(Cl)nc1)C(=O)NCCNS(C)(=O)=O ZINC000079135562 670173499 /nfs/dbraw/zinc/17/34/99/670173499.db2.gz GQFVHSLVBFTSTJ-UHFFFAOYSA-N 0 0 320.802 0.426 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000714300756 670183414 /nfs/dbraw/zinc/18/34/14/670183414.db2.gz AFJOTFPFPBEXEO-UHFFFAOYSA-N 0 0 309.800 0.281 10 0 DCAERN O=C(/C=C/c1cccs1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714297948 670183519 /nfs/dbraw/zinc/18/35/19/670183519.db2.gz LSHGQEVKJXWJOU-ONEGZZNKSA-N 0 0 301.393 0.028 10 0 DCAERN Cc1ccn(CC(=O)OC[C@H]2CC(=O)N(C3CC3)C2)c(=O)c1 ZINC000192714626 670185635 /nfs/dbraw/zinc/18/56/35/670185635.db2.gz SCAQBAVOVNGCSP-LBPRGKRZSA-N 0 0 304.346 0.711 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@H]1CCC(=O)N1 ZINC000714647520 670192314 /nfs/dbraw/zinc/19/23/14/670192314.db2.gz PSFPDSGWCZAHDU-RXMQYKEDSA-N 0 0 304.169 0.800 10 0 DCAERN Cn1cc(Br)c(C(=O)NC2CC(C(N)=O)C2)n1 ZINC000716659126 670268111 /nfs/dbraw/zinc/26/81/11/670268111.db2.gz DNBRUYZCQPWBGM-UHFFFAOYSA-N 0 0 301.144 0.176 10 0 DCAERN Cc1cc(COC(=O)Cn2cnc3c(cnn3C)c2=O)ns1 ZINC000193518559 670292912 /nfs/dbraw/zinc/29/29/12/670292912.db2.gz PMZFOWNDMCXTSH-UHFFFAOYSA-N 0 0 319.346 0.638 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000190381315 670431152 /nfs/dbraw/zinc/43/11/52/670431152.db2.gz DSPWOLQCCSUZAM-INIZCTEOSA-N 0 0 305.378 0.814 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cn1nc(-c2ccccc2)oc1=O ZINC000190709050 670482081 /nfs/dbraw/zinc/48/20/81/670482081.db2.gz WQSMHSWBLSXENQ-LLVKDONJSA-N 0 0 302.334 0.671 10 0 DCAERN Cc1cc(N2CCC[C@@H](OC(=O)[C@H]3CNC(=O)C3)C2)nc(C)n1 ZINC000108940166 670859583 /nfs/dbraw/zinc/85/95/83/670859583.db2.gz QDQXMPUKNRNHAG-CHWSQXEVSA-N 0 0 318.377 0.742 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2C[C@@H](c3nnc[nH]3)C[C@@H]2O)ccn1C ZINC000857746871 670943748 /nfs/dbraw/zinc/94/37/48/670943748.db2.gz BDZYDFYRLWPBMX-MDZLAQPJSA-N 0 0 303.366 0.736 10 0 DCAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1ccoc1Cl ZINC000818366584 671009660 /nfs/dbraw/zinc/00/96/60/671009660.db2.gz CEYRKGKQKSQSSW-SECBINFHSA-N 0 0 323.740 0.604 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)OCCn2cccn2)c1 ZINC000111677891 671273308 /nfs/dbraw/zinc/27/33/08/671273308.db2.gz FNXYADBFLSXVTO-ONEGZZNKSA-N 0 0 300.318 0.894 10 0 DCAERN Cn1nnc(CNC(=O)c2ccc(Br)cc2N)n1 ZINC000398075683 1158113401 /nfs/dbraw/zinc/11/34/01/1158113401.db2.gz BNENULGRUUUWMJ-UHFFFAOYSA-N 0 0 311.143 0.485 10 0 DCAERN COC(=O)c1cn(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)nn1 ZINC000121490811 671908697 /nfs/dbraw/zinc/90/86/97/671908697.db2.gz WZBFPAATKNYNGB-AAEUAGOBSA-N 0 0 304.354 0.802 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)OCCOCCn2cccn2)C1 ZINC000105553354 672185483 /nfs/dbraw/zinc/18/54/83/672185483.db2.gz DZTQYQPGXZRVJM-AWEZNQCLSA-N 0 0 309.366 0.701 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2cnc(OC)s2)C1 ZINC000389034992 685256021 /nfs/dbraw/zinc/25/60/21/685256021.db2.gz DYCAITZSWYTXDI-SSDOTTSWSA-N 0 0 306.365 0.335 10 0 DCAERN N#Cc1cc(Br)cnc1N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396809856 685271904 /nfs/dbraw/zinc/27/19/04/685271904.db2.gz OHGCCIWXXYMDFP-MWLCHTKSSA-N 0 0 312.167 0.895 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)c1c(Br)nnn1C ZINC000399256728 685275355 /nfs/dbraw/zinc/27/53/55/685275355.db2.gz REKICPRPTLPZOR-RQJHMYQMSA-N 0 0 303.160 0.563 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC000458030317 685290367 /nfs/dbraw/zinc/29/03/67/685290367.db2.gz XDFPRMSGIUENOD-SECBINFHSA-N 0 0 311.411 0.640 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@@H](O)C[C@]1(C)CO)C1CC1 ZINC000718015313 685304836 /nfs/dbraw/zinc/30/48/36/685304836.db2.gz NHFNQQHVPOIPJH-GXTWGEPZSA-N 0 0 305.440 0.960 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000719709455 685311673 /nfs/dbraw/zinc/31/16/73/685311673.db2.gz CPCUZPNTCGDDBD-NSHDSACASA-N 0 0 309.428 0.461 10 0 DCAERN Cn1ccc(CC(=O)NCc2cn(C)nc2Br)n1 ZINC000720127485 685312198 /nfs/dbraw/zinc/31/21/98/685312198.db2.gz XJMDFVPZZFRPJA-UHFFFAOYSA-N 0 0 312.171 0.775 10 0 DCAERN COCCNC(=S)NCc1cn(C)nc1Br ZINC000720112194 685312250 /nfs/dbraw/zinc/31/22/50/685312250.db2.gz HDBAHGPBRYMCIT-UHFFFAOYSA-N 0 0 307.217 0.793 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCO[C@@H](C)CC1 ZINC000720409323 685313101 /nfs/dbraw/zinc/31/31/01/685313101.db2.gz LGMBVZBXSOIMEU-QMMMGPOBSA-N 0 0 320.392 0.729 10 0 DCAERN CCCC[C@H](NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OC ZINC000720869057 685316706 /nfs/dbraw/zinc/31/67/06/685316706.db2.gz DUTBYMVVOAIIJE-AAEUAGOBSA-N 0 0 307.412 0.512 10 0 DCAERN CCc1cnc(CNC[C@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721231265 685318376 /nfs/dbraw/zinc/31/83/76/685318376.db2.gz VXGOJGBHAGBMSZ-GFCCVEGCSA-N 0 0 304.437 0.999 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)C3)CC2=O)cc1 ZINC000023418789 685053115 /nfs/dbraw/zinc/05/31/15/685053115.db2.gz FDDISQVWRZEXPW-GFCCVEGCSA-N 0 0 301.346 0.306 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1Cl ZINC000038109414 685057468 /nfs/dbraw/zinc/05/74/68/685057468.db2.gz KISZDIOVFDIWRX-MRVPVSSYSA-N 0 0 303.771 0.634 10 0 DCAERN C=CCNC(=O)[C@@H](C)OC(=O)CN(C)c1ccc(Cl)nn1 ZINC000051140480 685059409 /nfs/dbraw/zinc/05/94/09/685059409.db2.gz RNFDJQCJDWRFKI-SECBINFHSA-N 0 0 312.757 0.800 10 0 DCAERN C[C@H](OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCC1 ZINC000083149494 685084270 /nfs/dbraw/zinc/08/42/70/685084270.db2.gz XCBKATMDSLROJN-VIFPVBQESA-N 0 0 320.349 0.166 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091238770 685104030 /nfs/dbraw/zinc/10/40/30/685104030.db2.gz MCNXJZVMVJOGKD-IUCAKERBSA-N 0 0 324.768 0.834 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(Br)cc1O ZINC000096731159 685112324 /nfs/dbraw/zinc/11/23/24/685112324.db2.gz BXLUYUXBFBHXRT-UHFFFAOYSA-N 0 0 302.128 0.553 10 0 DCAERN O=C(NCC1(CO)COC1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000123149381 685118835 /nfs/dbraw/zinc/11/88/35/685118835.db2.gz ULVDMFKRLPVEND-UONOGXRCSA-N 0 0 306.362 0.825 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000177947993 685150241 /nfs/dbraw/zinc/15/02/41/685150241.db2.gz GXBZKULNSYQQJA-WDEREUQCSA-N 0 0 321.381 0.392 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000245730472 685158556 /nfs/dbraw/zinc/15/85/56/685158556.db2.gz CERJTYQCSGLOGT-QKCSRTOESA-N 0 0 306.362 0.841 10 0 DCAERN CN(CCS(C)(=O)=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246090312 685160314 /nfs/dbraw/zinc/16/03/14/685160314.db2.gz HOORKQKAXUFWPF-OLZOCXBDSA-N 0 0 318.439 0.133 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cn3nc4ccccn4c3=O)[C@H]2C1 ZINC000246747142 685166415 /nfs/dbraw/zinc/16/64/15/685166415.db2.gz OLUKEZNODYPQEJ-RDBSUJKOSA-N 0 0 318.377 0.722 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247040016 685168698 /nfs/dbraw/zinc/16/86/98/685168698.db2.gz KRPJAFUINGZTOO-MBNYWOFBSA-N 0 0 316.357 0.928 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)C[C@](C)(C(C)C)C2=O)C1 ZINC000247539340 685172057 /nfs/dbraw/zinc/17/20/57/685172057.db2.gz QNOMNOHMYHVECH-CZUORRHYSA-N 0 0 309.410 0.966 10 0 DCAERN COCCO[C@@H]1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000249139536 685178279 /nfs/dbraw/zinc/17/82/79/685178279.db2.gz VLNXRGMSJKJKSG-MGPQQGTHSA-N 0 0 308.378 0.632 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000372752453 685228488 /nfs/dbraw/zinc/22/84/88/685228488.db2.gz SBWJQZXPFKVMJW-QJPTWQEYSA-N 0 0 316.448 0.641 10 0 DCAERN Cc1ncn(CC[C@H]2CCNC2=O)c(=O)c1Br ZINC000395906436 1157936226 /nfs/dbraw/zinc/93/62/26/1157936226.db2.gz WECFHXCIMYSKJI-MRVPVSSYSA-N 0 0 300.156 0.840 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)C(=O)c2ccccc2)CC1 ZINC000044666928 1171574185 /nfs/dbraw/zinc/57/41/85/1171574185.db2.gz OZXQABXJYKTEQH-UHFFFAOYSA-N 0 0 303.362 0.449 10 0 DCAERN CC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000044985196 1171584827 /nfs/dbraw/zinc/58/48/27/1171584827.db2.gz FCJNAPUSHXLTDZ-LLVKDONJSA-N 0 0 309.410 0.808 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)c2cn[nH]c2)cc1 ZINC000062777994 1173062528 /nfs/dbraw/zinc/06/25/28/1173062528.db2.gz HVNQYZRBHPRSEB-UHFFFAOYSA-N 0 0 308.363 0.420 10 0 DCAERN CC(C)c1nnsc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000087443318 1173947952 /nfs/dbraw/zinc/94/79/52/1173947952.db2.gz VHRIGYIUZMXPIB-MRVPVSSYSA-N 0 0 318.424 0.555 10 0 DCAERN O=C(CCc1cccc(Br)c1)NC[C@@H](O)CO ZINC000090280504 1175390818 /nfs/dbraw/zinc/39/08/18/1175390818.db2.gz CEPMSLHRGKWJGN-LLVKDONJSA-N 0 0 302.168 0.851 10 0 DCAERN COC[C@@H](O)CNC(=O)c1ccc(Br)cc1N ZINC000094046344 1175693664 /nfs/dbraw/zinc/69/36/64/1175693664.db2.gz GFDRUYSFUWCMNH-QMMMGPOBSA-N 0 0 303.156 0.768 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000096369633 1175874856 /nfs/dbraw/zinc/87/48/56/1175874856.db2.gz XKFXOMBUONCALO-JTQLQIEISA-N 0 0 308.363 0.077 10 0 DCAERN NS(=O)(=O)c1ccc(CNCCC(=O)N2CCCCC2)o1 ZINC000123765977 1177066640 /nfs/dbraw/zinc/06/66/40/1177066640.db2.gz QNSIOIKRNOQMQJ-UHFFFAOYSA-N 0 0 315.395 0.419 10 0 DCAERN Cc1cc(C(=O)NC[C@H](O)C(N)=O)sc1Br ZINC000228492238 1177516068 /nfs/dbraw/zinc/51/60/68/1177516068.db2.gz DERUGLDWYUVYGK-YFKPBYRVSA-N 0 0 307.169 0.395 10 0 DCAERN NC(=O)COCCNC(=O)c1cc(Br)ccc1N ZINC000230079820 1180244746 /nfs/dbraw/zinc/24/47/46/1180244746.db2.gz SKTXBUTXFZZPTC-UHFFFAOYSA-N 0 0 316.155 0.263 10 0 DCAERN COC(=O)[C@@H]1COCCN1C(=O)c1cc(F)c(F)cc1N ZINC000163391442 1182561428 /nfs/dbraw/zinc/56/14/28/1182561428.db2.gz XJDZZKGLYZPYSC-NSHDSACASA-N 0 0 300.261 0.561 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1nc(C(F)(F)F)cs1 ZINC000163440913 1182586021 /nfs/dbraw/zinc/58/60/21/1182586021.db2.gz RLBKMHQPLKUYIO-BYPYZUCNSA-N 0 0 322.268 0.376 10 0 DCAERN O=C(NCCNC(=O)c1ccc(=O)[nH]n1)OCc1ccccc1 ZINC000169916907 1183623198 /nfs/dbraw/zinc/62/31/98/1183623198.db2.gz ZFCIMCOVUSZRBY-UHFFFAOYSA-N 0 0 316.317 0.426 10 0 DCAERN CCOCCS(=O)(=O)NC1(C(=O)NCC2CC2)CCCC1 ZINC000175072019 1184031724 /nfs/dbraw/zinc/03/17/24/1184031724.db2.gz NUXPRECYLJEXSV-UHFFFAOYSA-N 0 0 318.439 0.781 10 0 DCAERN C[C@@H](Cc1ccsc1)N(C)C(=O)NCCN1C(=O)CNC1=O ZINC000176075305 1184124550 /nfs/dbraw/zinc/12/45/50/1184124550.db2.gz IQOFDJFEVJBWDZ-JTQLQIEISA-N 0 0 324.406 0.872 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cn1 ZINC000177937407 1184332192 /nfs/dbraw/zinc/33/21/92/1184332192.db2.gz GUNTURIMCMGAGC-ONXXMXGDSA-N 0 0 320.393 0.851 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC000177960170 1184333469 /nfs/dbraw/zinc/33/34/69/1184333469.db2.gz MCMKOTYOTTVGLJ-LLVKDONJSA-N 0 0 316.365 0.351 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000181697516 1185182767 /nfs/dbraw/zinc/18/27/67/1185182767.db2.gz UXJBCVYMTKWNEI-SSDOTTSWSA-N 0 0 313.745 0.020 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@]2(CCOC2)C1 ZINC000186084450 1187348671 /nfs/dbraw/zinc/34/86/71/1187348671.db2.gz DHOHTBPLMNLZIP-OAHLLOKOSA-N 0 0 302.334 0.449 10 0 DCAERN COC[C@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@@H](C)O1 ZINC000188326014 1187629305 /nfs/dbraw/zinc/62/93/05/1187629305.db2.gz SLYDIRAZBKLNGL-VXGBXAGGSA-N 0 0 304.350 0.694 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(N)=O)C1 ZINC000188602499 1187757859 /nfs/dbraw/zinc/75/78/59/1187757859.db2.gz OOZUPMKFOBAFSX-GXFFZTMASA-N 0 0 301.350 0.544 10 0 DCAERN CO[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)CC[C@H]1C ZINC000189277853 1187887926 /nfs/dbraw/zinc/88/79/26/1187887926.db2.gz QOQWASIOCQBONN-ZJUUUORDSA-N 0 0 303.384 0.471 10 0 DCAERN C[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000299909192 1188357204 /nfs/dbraw/zinc/35/72/04/1188357204.db2.gz WLWHEYLDOLLLJD-OUAUKWLOSA-N 0 0 307.437 0.136 10 0 DCAERN O=C(c1nscc1Br)N1CC[C@H](O)[C@H](CO)C1 ZINC000404941152 1190240702 /nfs/dbraw/zinc/24/07/02/1190240702.db2.gz LXWCZIPUKLKXEU-XPUUQOCRSA-N 0 0 321.196 0.721 10 0 DCAERN CC[C@](C)(CO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307903289 1190385094 /nfs/dbraw/zinc/38/50/94/1190385094.db2.gz JXQRWJBGQPVAGH-CYBMUJFWSA-N 0 0 300.380 0.563 10 0 DCAERN NC(=O)NCCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000310377791 1190389885 /nfs/dbraw/zinc/38/98/85/1190389885.db2.gz BNKITDXMCGGFHS-UHFFFAOYSA-N 0 0 321.562 0.896 10 0 DCAERN CNC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000397354529 1190703651 /nfs/dbraw/zinc/70/36/51/1190703651.db2.gz DTYLBUSXQYVFFF-UHFFFAOYSA-N 0 0 300.702 0.907 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191152586 764749144 /nfs/dbraw/zinc/74/91/44/764749144.db2.gz QFSQLUJQHBLOTD-VXGBXAGGSA-N 0 0 304.350 0.163 10 0 DCAERN C[C@@H]1[C@H](NS(=O)(=O)c2cccnc2F)CCS1(=O)=O ZINC000401843016 768877235 /nfs/dbraw/zinc/87/72/35/768877235.db2.gz SNSXAKIETNSUFX-HTQZYQBOSA-N 0 0 308.356 0.075 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1csc([C@H](C)N)n1 ZINC000090950631 773742935 /nfs/dbraw/zinc/74/29/35/773742935.db2.gz UVIFDFQBJSRIBI-VIFPVBQESA-N 0 0 314.411 0.388 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccnc1F ZINC000401937144 774071918 /nfs/dbraw/zinc/07/19/18/774071918.db2.gz NFEXUABKCIYFBF-BDAKNGLRSA-N 0 0 301.343 0.495 10 0 DCAERN Cc1cnc(CC[NH2+]CCS(=O)(=O)CC(=O)[O-])c(C)c1 ZINC000689395611 954659581 /nfs/dbraw/zinc/65/95/81/954659581.db2.gz UQFQLAAKQXZUIG-UHFFFAOYSA-N 0 0 300.380 0.330 10 0 DCAERN C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693013100 976565963 /nfs/dbraw/zinc/56/59/63/976565963.db2.gz ZHUDTZIQSJEYAR-UTUOFQBUSA-N 0 0 304.412 0.453 10 0 DCAERN CS(=O)(=O)CC1(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000696770865 976823906 /nfs/dbraw/zinc/82/39/06/976823906.db2.gz XHVKBZKAROMJAE-LLVKDONJSA-N 0 0 301.408 0.998 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H](C)C2 ZINC000181231699 199268831 /nfs/dbraw/zinc/26/88/31/199268831.db2.gz IHDYCGZDSHAWSQ-ZBEGNZNMSA-N 0 0 313.357 0.895 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000096658541 185384988 /nfs/dbraw/zinc/38/49/88/185384988.db2.gz TZOAUPHHBVLCRD-LLVKDONJSA-N 0 0 302.352 0.840 10 0 DCAERN C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(N)(=O)=O)CC1 ZINC000078872460 185121424 /nfs/dbraw/zinc/12/14/24/185121424.db2.gz JBSYWKHMDUQJRU-SECBINFHSA-N 0 0 317.415 0.249 10 0 DCAERN CCc1ccc(CN2CCN(C(=O)CNC(=O)NC)CC2)s1 ZINC000090052591 185279818 /nfs/dbraw/zinc/27/98/18/185279818.db2.gz LSFYSDFGWDIEEF-UHFFFAOYSA-N 0 0 324.450 0.884 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000286615428 219084370 /nfs/dbraw/zinc/08/43/70/219084370.db2.gz CCDLXZSADOMHID-MRXNPFEDSA-N 0 0 316.361 0.955 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000181442057 199298173 /nfs/dbraw/zinc/29/81/73/199298173.db2.gz KGERBWYHOSCOOY-UHFFFAOYSA-N 0 0 304.354 0.350 10 0 DCAERN COC1(CNC(=O)N2CCN(c3cccnn3)CC2)CCC1 ZINC000181514882 199309372 /nfs/dbraw/zinc/30/93/72/199309372.db2.gz VZYDQFUCOAYUMB-UHFFFAOYSA-N 0 0 305.382 0.877 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286694675 219113709 /nfs/dbraw/zinc/11/37/09/219113709.db2.gz QXGUWPDUYJQKII-SECBINFHSA-N 0 0 321.761 0.773 10 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QBQZWMPQAHAHTK-JTQLQIEISA-N 0 0 301.293 0.369 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)CNC(=O)c1cccnc1 ZINC000181750764 199347423 /nfs/dbraw/zinc/34/74/23/199347423.db2.gz IEGWUFRHTQZTNF-UHFFFAOYSA-N 0 0 321.768 0.857 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1=COCCO1 ZINC000109106719 185552106 /nfs/dbraw/zinc/55/21/06/185552106.db2.gz CCAMWQCPZXYSGJ-ZDUSSCGKSA-N 0 0 304.346 0.690 10 0 DCAERN O=C(CNC(=O)Cc1ccc(O)cc1)NC[C@H]1CCCC[C@H]1O ZINC000272615770 210017394 /nfs/dbraw/zinc/01/73/94/210017394.db2.gz PFHQDEHAOIHDTN-UKRRQHHQSA-N 0 0 320.389 0.718 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000279782204 215142031 /nfs/dbraw/zinc/14/20/31/215142031.db2.gz UHIYMFNYRDIEMW-UHFFFAOYSA-N 0 0 305.378 0.731 10 0 DCAERN CO[C@H](C)CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000182001234 199373117 /nfs/dbraw/zinc/37/31/17/199373117.db2.gz BFJWQHSJEPSLMY-SNVBAGLBSA-N 0 0 317.411 0.633 10 0 DCAERN COC[C@H]1CN(C(=O)CCC2CCN(C(C)=O)CC2)CCO1 ZINC000080471655 192160068 /nfs/dbraw/zinc/16/00/68/192160068.db2.gz OBNUCUOVPDOMEY-OAHLLOKOSA-N 0 0 312.410 0.899 10 0 DCAERN COC(=O)NCCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000170966467 197858746 /nfs/dbraw/zinc/85/87/46/197858746.db2.gz DBRJJSGIHWGWBP-LLVKDONJSA-N 0 0 323.397 0.969 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)no1 ZINC000175695080 186188759 /nfs/dbraw/zinc/18/87/59/186188759.db2.gz SNDDWXGRQBOIET-LLVKDONJSA-N 0 0 317.353 0.636 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@]2(CCOC2)C1 ZINC000183831628 186222497 /nfs/dbraw/zinc/22/24/97/186222497.db2.gz VEZOWWLACOALBH-MRXNPFEDSA-N 0 0 322.336 0.573 10 0 DCAERN CC(=O)c1ccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000265990182 186350693 /nfs/dbraw/zinc/35/06/93/186350693.db2.gz DBCZHBMUTLMFRW-UHFFFAOYSA-N 0 0 315.329 0.468 10 0 DCAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)C(N)=O ZINC000171968922 198017590 /nfs/dbraw/zinc/01/75/90/198017590.db2.gz FUTLGLLJGITNBH-MRVPVSSYSA-N 0 0 311.769 0.838 10 0 DCAERN C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCCC1 ZINC000172136883 198044901 /nfs/dbraw/zinc/04/49/01/198044901.db2.gz UYBBIYKLILHLBN-JTQLQIEISA-N 0 0 314.411 0.616 10 0 DCAERN COC(=O)C1CCC2(CC1)NC(=O)N([C@@H]1CCCOC1)C2=O ZINC000345267106 290942309 /nfs/dbraw/zinc/94/23/09/290942309.db2.gz PCAHXTOUCYQGHZ-LOIXOFCESA-N 0 0 310.350 0.819 10 0 DCAERN COC[C@H](C)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172489341 198104946 /nfs/dbraw/zinc/10/49/46/198104946.db2.gz KKKVWFJOZIKPNT-CQSZACIVSA-N 0 0 323.441 0.920 10 0 DCAERN CC1(C)CN(CCNC(=O)CNC(=O)c2ccccn2)CCO1 ZINC000172534213 198110555 /nfs/dbraw/zinc/11/05/55/198110555.db2.gz YBRPJXCUABLKCV-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN COC(=O)c1cc2c(nc1N)n(-c1ccccc1)c(=O)[nH]c2=O ZINC000072417080 191155825 /nfs/dbraw/zinc/15/58/25/191155825.db2.gz ZKDWUFODRPDDOI-UHFFFAOYSA-N 0 0 312.285 0.855 10 0 DCAERN CC(=O)NCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172711925 198140098 /nfs/dbraw/zinc/14/00/98/198140098.db2.gz HWGOCHCPQMZSFB-ZFWWWQNUSA-N 0 0 318.377 0.243 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000172734485 198142713 /nfs/dbraw/zinc/14/27/13/198142713.db2.gz UQHZEEXMZDSUQN-JSGCOSHPSA-N 0 0 315.373 0.743 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000072618480 191203656 /nfs/dbraw/zinc/20/36/56/191203656.db2.gz GZLCTFKIWXYSIM-GXFFZTMASA-N 0 0 318.377 0.650 10 0 DCAERN C[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)c2ccccc2C1=O ZINC000000267097 180743057 /nfs/dbraw/zinc/74/30/57/180743057.db2.gz RGYPJMHFLPPUMD-WDEREUQCSA-N 0 0 302.330 0.966 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)COC)ncn1 ZINC000173428091 198213016 /nfs/dbraw/zinc/21/30/16/198213016.db2.gz MJXCJWHRJDMTET-RYUDHWBXSA-N 0 0 307.398 0.886 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)CCn3cccn3)C2=O)n(C)n1 ZINC000173376261 198208250 /nfs/dbraw/zinc/20/82/50/198208250.db2.gz ZPFUUYJVRSQCCZ-CYBMUJFWSA-N 0 0 302.382 0.662 10 0 DCAERN COc1ncccc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173861895 198261937 /nfs/dbraw/zinc/26/19/37/198261937.db2.gz OFGFQJUFHXEVGC-TZMCWYRMSA-N 0 0 305.378 0.883 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1N1CCOCC1 ZINC000173958183 198273456 /nfs/dbraw/zinc/27/34/56/198273456.db2.gz HBKOWKQFIFQFNU-DZGCQCFKSA-N 0 0 317.389 0.804 10 0 DCAERN O=C(Cc1ccc(OC(F)F)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000174273584 198313866 /nfs/dbraw/zinc/31/38/66/198313866.db2.gz QKRRBYMVDDOIRB-SNVBAGLBSA-N 0 0 312.272 0.752 10 0 DCAERN CCOCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999240 198413195 /nfs/dbraw/zinc/41/31/95/198413195.db2.gz SLXKHNCFGRIMEA-LBPRGKRZSA-N 0 0 308.382 0.767 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000280212329 215455025 /nfs/dbraw/zinc/45/50/25/215455025.db2.gz AFFDOBFMNAHTBW-OCCSQVGLSA-N 0 0 320.393 0.765 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000076034410 191557210 /nfs/dbraw/zinc/55/72/10/191557210.db2.gz OTZKUIKHKBKOLG-OIBJUYFYSA-N 0 0 303.322 0.162 10 0 DCAERN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCOC2)c1 ZINC000078642649 191902601 /nfs/dbraw/zinc/90/26/01/191902601.db2.gz ISAUDRRTLGQTMW-QMMMGPOBSA-N 0 0 302.327 0.382 10 0 DCAERN CC(C)(C)n1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)cn1 ZINC000080893832 192199372 /nfs/dbraw/zinc/19/93/72/192199372.db2.gz NXLPDYHYOBXAEF-MRXNPFEDSA-N 0 0 324.425 0.451 10 0 DCAERN CN([C@H]1CCSC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179052578 198974997 /nfs/dbraw/zinc/97/49/97/198974997.db2.gz GCVMUXGWOBUOCL-JTQLQIEISA-N 0 0 300.405 0.912 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCC[C@H]1CO ZINC000179236010 199003355 /nfs/dbraw/zinc/00/33/55/199003355.db2.gz VJSIZLZMJPYOKF-SMDDNHRTSA-N 0 0 316.357 0.950 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)COc2ccccc2O)CC1 ZINC000179414401 199030618 /nfs/dbraw/zinc/03/06/18/199030618.db2.gz IZXWLYPDMZNLHE-ZDUSSCGKSA-N 0 0 308.378 0.686 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1ncn(-c2ccccc2)n1 ZINC000179955147 199099255 /nfs/dbraw/zinc/09/92/55/199099255.db2.gz KCINUEVCFUXJIG-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)CCO1 ZINC000277527086 283355528 /nfs/dbraw/zinc/35/55/28/283355528.db2.gz XWKQRDDUHJSVQQ-QEORTHHSSA-N 0 0 316.357 0.440 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180614352 199185379 /nfs/dbraw/zinc/18/53/79/199185379.db2.gz OPSLFLUXBHZTMV-SNVBAGLBSA-N 0 0 317.415 0.062 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000152653522 237007673 /nfs/dbraw/zinc/00/76/73/237007673.db2.gz MLTZNROTFDTYDG-UWVGGRQHSA-N 0 0 302.400 0.172 10 0 DCAERN COCCN(Cc1nnc(-c2ccccc2)n1C)[C@H](C)C(N)=O ZINC000155650768 237041882 /nfs/dbraw/zinc/04/18/82/237041882.db2.gz VHESPMNOKRUVBX-GFCCVEGCSA-N 0 0 317.393 0.804 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)O1 ZINC000155491120 237041985 /nfs/dbraw/zinc/04/19/85/237041985.db2.gz UDZDIOSVOJDVBP-RYUDHWBXSA-N 0 0 316.365 0.340 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000155776966 237044102 /nfs/dbraw/zinc/04/41/02/237044102.db2.gz MVCFWEGSHQSWLQ-MNOVXSKESA-N 0 0 304.350 0.441 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000156393652 237050428 /nfs/dbraw/zinc/05/04/28/237050428.db2.gz BSVJLAGUXDQHIF-RYUDHWBXSA-N 0 0 310.398 0.342 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159202435 237072630 /nfs/dbraw/zinc/07/26/30/237072630.db2.gz UUMYDOJIEKPFHE-QWRGUYRKSA-N 0 0 307.354 0.272 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)CC2(O)CCOCC2)C1 ZINC000162100176 237108802 /nfs/dbraw/zinc/10/88/02/237108802.db2.gz FDWCLIXFJFASCR-GFCCVEGCSA-N 0 0 306.428 0.436 10 0 DCAERN O=C(Cc1cn2ccsc2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748015 237151821 /nfs/dbraw/zinc/15/18/21/237151821.db2.gz WLCAXWIGRTWWDE-CYBMUJFWSA-N 0 0 320.418 0.871 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3=O)C1 ZINC000186848302 200021119 /nfs/dbraw/zinc/02/11/19/200021119.db2.gz UWJJWNBXAQPZRH-LBPRGKRZSA-N 0 0 316.357 0.918 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1 ZINC000178184511 237224099 /nfs/dbraw/zinc/22/40/99/237224099.db2.gz COYKIHAVAPGJFP-CQSZACIVSA-N 0 0 323.418 0.190 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)C1CCCC1 ZINC000176602862 237200978 /nfs/dbraw/zinc/20/09/78/237200978.db2.gz JGSJZMMRNABZIL-SNVBAGLBSA-N 0 0 312.457 0.424 10 0 DCAERN Cn1cc([C@@H](NCC(=O)NC(N)=O)c2ccc(F)cc2)cn1 ZINC000184600869 237290995 /nfs/dbraw/zinc/29/09/95/237290995.db2.gz AQYIODCNJOALRH-ZDUSSCGKSA-N 0 0 305.313 0.433 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187707842 237355790 /nfs/dbraw/zinc/35/57/90/237355790.db2.gz QGORKBZZUURHLE-LSDHHAIUSA-N 0 0 317.433 0.963 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCCNC(=O)[C@H]3C)cnc12 ZINC000188093171 237367795 /nfs/dbraw/zinc/36/77/95/237367795.db2.gz ZIHBWJKMROLYHN-LLVKDONJSA-N 0 0 314.345 0.354 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)c1cn2ccnc2s1 ZINC000188455988 237373608 /nfs/dbraw/zinc/37/36/08/237373608.db2.gz USWXTETXKVYIPZ-UHFFFAOYSA-N 0 0 306.347 0.665 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccsc1 ZINC000188817607 237381348 /nfs/dbraw/zinc/38/13/48/237381348.db2.gz FVBQHXJSCWOYRO-VIFPVBQESA-N 0 0 304.331 0.673 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCC[C@@H]1CCO ZINC000189015591 237385937 /nfs/dbraw/zinc/38/59/37/237385937.db2.gz YOEBUUXFWMZQGH-NEPJUHHUSA-N 0 0 303.362 0.997 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)c2cn3ccnc3s2)CC1 ZINC000188291881 200222832 /nfs/dbraw/zinc/22/28/32/200222832.db2.gz OYDMZGHYWNJLSI-UHFFFAOYSA-N 0 0 321.406 0.336 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2COc3ccccc3C2)[C@@H]1C(N)=O ZINC000285596630 291201651 /nfs/dbraw/zinc/20/16/51/291201651.db2.gz UGRCEGAKRZNSRW-OSMZGAPFSA-N 0 0 304.346 0.339 10 0 DCAERN CCNC(=O)N1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000188486721 200254213 /nfs/dbraw/zinc/25/42/13/200254213.db2.gz XFRPNJAHTLODCT-CYBMUJFWSA-N 0 0 324.425 0.651 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000188546339 200264254 /nfs/dbraw/zinc/26/42/54/200264254.db2.gz AMKLGQFCOIJSFT-FZMZJTMJSA-N 0 0 317.389 0.837 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cnn(-c2ccccc2)c1 ZINC000153853800 291208661 /nfs/dbraw/zinc/20/86/61/291208661.db2.gz ONTOTBJLWFSSJM-LBPRGKRZSA-N 0 0 313.317 0.087 10 0 DCAERN Cc1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c(=O)[nH]c1C ZINC000154318475 291212590 /nfs/dbraw/zinc/21/25/90/291212590.db2.gz WLTPGCJQHQSSSG-MNOVXSKESA-N 0 0 304.350 0.270 10 0 DCAERN CN(C)C(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 ZINC000154375352 291213058 /nfs/dbraw/zinc/21/30/58/291213058.db2.gz CXRGLFAERIYKPG-AWEZNQCLSA-N 0 0 308.378 0.460 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000154422754 291213707 /nfs/dbraw/zinc/21/37/07/291213707.db2.gz XJFSHXMOIREYJJ-UHFFFAOYSA-N 0 0 323.397 0.022 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000154396781 291213807 /nfs/dbraw/zinc/21/38/07/291213807.db2.gz OKSWJJWEKKAORD-GHMZBOCLSA-N 0 0 305.382 0.986 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)CC(=O)Nc1ccccc1F ZINC000078883401 291222858 /nfs/dbraw/zinc/22/28/58/291222858.db2.gz QCDGZFLGQVNNPI-VIFPVBQESA-N 0 0 317.338 0.988 10 0 DCAERN COCCS(=O)(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000158107258 291230375 /nfs/dbraw/zinc/23/03/75/291230375.db2.gz BNOWGVDUBVOJPM-NSHDSACASA-N 0 0 310.379 0.894 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000158317362 291230990 /nfs/dbraw/zinc/23/09/90/291230990.db2.gz LVXBCCJLNKSZLB-OLZOCXBDSA-N 0 0 324.425 0.553 10 0 DCAERN C[C@]1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCC[C@H]1O ZINC000246727410 238160570 /nfs/dbraw/zinc/16/05/70/238160570.db2.gz GLYVIDIGALGNFG-YWPYICTPSA-N 0 0 307.398 0.833 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000271957688 209339468 /nfs/dbraw/zinc/33/94/68/209339468.db2.gz LBQRAAZIFYJDPJ-NSHDSACASA-N 0 0 302.327 0.009 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000163025726 291245861 /nfs/dbraw/zinc/24/58/61/291245861.db2.gz BFDGIEJBAPYMQZ-SMDDNHRTSA-N 0 0 306.362 0.683 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NCc3ccc(CO)o3)C2)c1=O ZINC000275705149 238312888 /nfs/dbraw/zinc/31/28/88/238312888.db2.gz XXHWZJBFKXOXON-LBPRGKRZSA-N 0 0 318.377 0.624 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@@](C)(O)CO ZINC000310730798 291251909 /nfs/dbraw/zinc/25/19/09/291251909.db2.gz MSZPXVMISBHHCI-GFCCVEGCSA-N 0 0 318.167 0.931 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCN1C ZINC000328616993 291259425 /nfs/dbraw/zinc/25/94/25/291259425.db2.gz CGFGZRXZBHAYAM-KBPBESRZSA-N 0 0 322.409 0.431 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cn1 ZINC000281442364 216303583 /nfs/dbraw/zinc/30/35/83/216303583.db2.gz CNZQGSLBXGPCAO-VIFPVBQESA-N 0 0 311.363 0.041 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccccc3O)CC2)CCC(=O)NC1 ZINC000281522362 216358413 /nfs/dbraw/zinc/35/84/13/216358413.db2.gz LQHRASSGADYPMH-KRWDZBQOSA-N 0 0 317.389 0.957 10 0 DCAERN COc1nc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)O ZINC000408514714 239271909 /nfs/dbraw/zinc/27/19/09/239271909.db2.gz SRIIUCDKHGAILA-LLVKDONJSA-N 0 0 323.397 0.344 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229964 291325822 /nfs/dbraw/zinc/32/58/22/291325822.db2.gz FERAPGLFJWTIHR-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)C1CC1 ZINC000275406359 212315290 /nfs/dbraw/zinc/31/52/90/212315290.db2.gz BJEQFHVZCWDYHR-ZIAGYGMSSA-N 0 0 321.425 0.843 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)CC[C@H]2C)C1 ZINC000422005370 240121549 /nfs/dbraw/zinc/12/15/49/240121549.db2.gz LJTBBIQDWGLHDH-AGIUHOORSA-N 0 0 318.439 0.420 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)s1 ZINC000425286434 240332497 /nfs/dbraw/zinc/33/24/97/240332497.db2.gz HVLPLCJHRPSRSB-LLVKDONJSA-N 0 0 312.391 0.374 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000408309757 291341234 /nfs/dbraw/zinc/34/12/34/291341234.db2.gz OSQBCCWZNYSGLH-IJLUTSLNSA-N 0 0 305.396 0.769 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)s1 ZINC000442083179 240541229 /nfs/dbraw/zinc/54/12/29/240541229.db2.gz LFTRFOAPVVUIQG-VIFPVBQESA-N 0 0 315.420 0.716 10 0 DCAERN NC(=O)CN1CCC(C(=O)NCc2ccc3nonc3c2)CC1 ZINC000091304831 193036576 /nfs/dbraw/zinc/03/65/76/193036576.db2.gz MWOKNPXCFUMCJV-UHFFFAOYSA-N 0 0 317.349 0.036 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCCO1 ZINC000267963425 291350149 /nfs/dbraw/zinc/35/01/49/291350149.db2.gz JIMXXAXNWBMXTR-MEBBXXQBSA-N 0 0 306.366 0.784 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(N)=O)on2)cc1 ZINC000091781850 193106992 /nfs/dbraw/zinc/10/69/92/193106992.db2.gz XVDWYLSHFNEDBP-ZDUSSCGKSA-N 0 0 315.329 0.976 10 0 DCAERN COc1ccc([C@H](C)CC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091782766 193107035 /nfs/dbraw/zinc/10/70/35/193107035.db2.gz GGDUUTXJSVPNCX-RISCZKNCSA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccccc1OC(F)F ZINC000091785419 193107518 /nfs/dbraw/zinc/10/75/18/193107518.db2.gz DBCOGJSKSDJUEI-SNVBAGLBSA-N 0 0 314.288 0.543 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N(C)CC(C)(CO)CO)c1 ZINC000457665534 241022221 /nfs/dbraw/zinc/02/22/21/241022221.db2.gz JXAGBPZFTDYKDU-UHFFFAOYSA-N 0 0 309.362 0.845 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2c[nH]nc2C)CC12COC2 ZINC000457797382 241038002 /nfs/dbraw/zinc/03/80/02/241038002.db2.gz RHKFRSVEVHYNGR-LBPRGKRZSA-N 0 0 322.365 0.439 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000281899251 216619125 /nfs/dbraw/zinc/61/91/25/216619125.db2.gz FNBXHJJBJGGSDB-UHFFFAOYSA-N 0 0 322.337 0.047 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000364242621 291372772 /nfs/dbraw/zinc/37/27/72/291372772.db2.gz AVPDWEJHNLAIIG-XJKCOSOUSA-N 0 0 311.378 0.984 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@@H]1CO ZINC000300170434 291382034 /nfs/dbraw/zinc/38/20/34/291382034.db2.gz PCADSDMLZJTRPL-USZNOCQGSA-N 0 0 305.396 0.361 10 0 DCAERN Cn1nnnc1CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000275217734 212203055 /nfs/dbraw/zinc/20/30/55/212203055.db2.gz KMEBCVRWURWZBO-QWRGUYRKSA-N 0 0 315.333 0.401 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC(=O)N1C ZINC000282060246 216731675 /nfs/dbraw/zinc/73/16/75/216731675.db2.gz BBLKSBRGSVXHTQ-OSAQELSMSA-N 0 0 303.362 0.848 10 0 DCAERN CC(C)OC(=O)c1ccc(CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229222 193177316 /nfs/dbraw/zinc/17/73/16/193177316.db2.gz JKLPIDVIXDZCLK-CQSZACIVSA-N 0 0 306.362 0.938 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000092230197 193177317 /nfs/dbraw/zinc/17/73/17/193177317.db2.gz NRWOKLDJGUOOBE-NSHDSACASA-N 0 0 312.753 0.797 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000374958205 296140604 /nfs/dbraw/zinc/14/06/04/296140604.db2.gz ZQKCLKSOWBQLIV-GHMZBOCLSA-N 0 0 304.412 0.342 10 0 DCAERN COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000093531273 193265014 /nfs/dbraw/zinc/26/50/14/193265014.db2.gz FJCIHNGMQDNKDC-GFCCVEGCSA-N 0 0 314.407 0.827 10 0 DCAERN CC1(C)CN(Cc2cc(C(N)=O)cs2)CCS1(=O)=O ZINC000093735628 193298275 /nfs/dbraw/zinc/29/82/75/193298275.db2.gz RXEKJBIBTDTLOY-UHFFFAOYSA-N 0 0 302.421 0.856 10 0 DCAERN C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636348 296153646 /nfs/dbraw/zinc/15/36/46/296153646.db2.gz YNURHMNVNTXFMR-DOMZBBRYSA-N 0 0 319.405 0.435 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@H](C)c2nccn2C)[C@@H](C)C1 ZINC000569878213 291500488 /nfs/dbraw/zinc/50/04/88/291500488.db2.gz AEHSBQMUPTXGGG-NWDGAFQWSA-N 0 0 308.382 0.577 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc(-n2cccn2)n1 ZINC000135487372 284241724 /nfs/dbraw/zinc/24/17/24/284241724.db2.gz GZXFMPSKFLPOSC-NSHDSACASA-N 0 0 309.333 0.604 10 0 DCAERN CN1C(=O)c2ccc(S(=O)(=O)NCC3(C)COC3)cc2C1=O ZINC000264816500 204179456 /nfs/dbraw/zinc/17/94/56/204179456.db2.gz LSYNQFKVKNPREB-UHFFFAOYSA-N 0 0 324.358 0.227 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC(=O)N1C ZINC000282500909 217042458 /nfs/dbraw/zinc/04/24/58/217042458.db2.gz NVCVTGBJZFOHAJ-VIFPVBQESA-N 0 0 318.333 0.712 10 0 DCAERN Cn1cccc1-c1nnc(N2CCS(=O)(=O)C(C)(C)C2)n1C ZINC000282510227 217051293 /nfs/dbraw/zinc/05/12/93/217051293.db2.gz PVQUUROULPDCEB-UHFFFAOYSA-N 0 0 323.422 0.834 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC(=O)N1C ZINC000282519416 217057261 /nfs/dbraw/zinc/05/72/61/217057261.db2.gz YTDAGLJZIHHUHM-QMMMGPOBSA-N 0 0 301.306 0.033 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000191146330 284300493 /nfs/dbraw/zinc/30/04/93/284300493.db2.gz PKNQFBQEPBCZSS-GHMZBOCLSA-N 0 0 322.413 0.841 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306438 220074440 /nfs/dbraw/zinc/07/44/40/220074440.db2.gz XILWQZXTNHNLBL-STQMWFEESA-N 0 0 317.393 0.481 10 0 DCAERN CCOc1nc2cccnc2n(CCN2CCOCC2)c1=O ZINC000015774267 182016077 /nfs/dbraw/zinc/01/60/77/182016077.db2.gz QRAFMZRHHFVKDA-UHFFFAOYSA-N 0 0 304.350 0.522 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H]2C)C1 ZINC000408409047 284379017 /nfs/dbraw/zinc/37/90/17/284379017.db2.gz ZXXMLRWDMGLWEF-OUAUKWLOSA-N 0 0 318.395 0.157 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000019045067 182103939 /nfs/dbraw/zinc/10/39/39/182103939.db2.gz CIFFIYJOTIJKSX-AIEDFZFUSA-N 0 0 310.346 0.801 10 0 DCAERN O=C(c1cccs1)N1CCC(C(=O)N2CCNC(=O)C2)CC1 ZINC000023420179 182361050 /nfs/dbraw/zinc/36/10/50/182361050.db2.gz CXYVWNNHAOGVLB-UHFFFAOYSA-N 0 0 321.402 0.559 10 0 DCAERN C[C@H](O)c1ccc(S(=O)(=O)NCCS(C)(=O)=O)cc1 ZINC000037751144 182923465 /nfs/dbraw/zinc/92/34/65/182923465.db2.gz GEADBAHPZDLZET-VIFPVBQESA-N 0 0 307.393 0.063 10 0 DCAERN Cc1noc(CNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000038034978 182974745 /nfs/dbraw/zinc/97/47/45/182974745.db2.gz IQQQFBLRNOCSLX-LBPRGKRZSA-N 0 0 311.363 0.605 10 0 DCAERN CCN(CCC(=O)OC)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000038024921 182969698 /nfs/dbraw/zinc/96/96/98/182969698.db2.gz CJNVNMCRFHCWNS-UHFFFAOYSA-N 0 0 308.381 0.319 10 0 DCAERN CCN(CCC(N)=S)S(=O)(=O)CCc1ccccn1 ZINC000042452282 183272153 /nfs/dbraw/zinc/27/21/53/183272153.db2.gz VDDXYCFIEIFJOX-UHFFFAOYSA-N 0 0 301.437 0.952 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC(N)=S)c1ccc(Cl)s1 ZINC000042593255 183289672 /nfs/dbraw/zinc/28/96/72/183289672.db2.gz FGUDYEVESVEECA-YFKPBYRVSA-N 0 0 305.812 0.981 10 0 DCAERN O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CCOCC1 ZINC000042629212 183291960 /nfs/dbraw/zinc/29/19/60/183291960.db2.gz XFRFIIYTJARXKG-HNNXBMFYSA-N 0 0 302.374 0.936 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NCC1=CCCCC1 ZINC000333526322 295283581 /nfs/dbraw/zinc/28/35/81/295283581.db2.gz PBAXUBZBOIPBOE-GFCCVEGCSA-N 0 0 301.412 0.949 10 0 DCAERN O=C(c1ccnnc1)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000096185812 296275770 /nfs/dbraw/zinc/27/57/70/296275770.db2.gz MBKRFIVLURFWIF-SOUVJXGZSA-N 0 0 318.377 0.181 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000103789462 193958330 /nfs/dbraw/zinc/95/83/30/193958330.db2.gz DHZASVANGFTIID-UHFFFAOYSA-N 0 0 320.349 0.331 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000104358535 194002430 /nfs/dbraw/zinc/00/24/30/194002430.db2.gz FPLYNGHXDGKYSK-AWEZNQCLSA-N 0 0 313.361 0.677 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104376435 194003353 /nfs/dbraw/zinc/00/33/53/194003353.db2.gz MIMRUYPHSCDRHR-MRVPVSSYSA-N 0 0 323.740 0.855 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000105215156 194084859 /nfs/dbraw/zinc/08/48/59/194084859.db2.gz SOGUVEXYIGPEQE-JSGCOSHPSA-N 0 0 309.414 0.457 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806105 194134077 /nfs/dbraw/zinc/13/40/77/194134077.db2.gz RXCDPDKLWVHITH-NSHDSACASA-N 0 0 320.397 0.221 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811748 194134968 /nfs/dbraw/zinc/13/49/68/194134968.db2.gz FYTUANYNFSDYBW-VXGBXAGGSA-N 0 0 304.350 0.324 10 0 DCAERN C[C@@H](NCC(=O)NC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000105863572 194149321 /nfs/dbraw/zinc/14/93/21/194149321.db2.gz AJISFBCDZRHQLN-SNVBAGLBSA-N 0 0 313.423 0.899 10 0 DCAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccccc1 ZINC000105888867 194158955 /nfs/dbraw/zinc/15/89/55/194158955.db2.gz RZZDUMIKDMZLOC-MRXNPFEDSA-N 0 0 314.389 0.900 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105898019 194162251 /nfs/dbraw/zinc/16/22/51/194162251.db2.gz ZQESIHFHSUEKRX-LBPRGKRZSA-N 0 0 308.386 0.397 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000105916719 194170091 /nfs/dbraw/zinc/17/00/91/194170091.db2.gz KGSUCTSSKVTMBB-CQSZACIVSA-N 0 0 307.442 0.631 10 0 DCAERN C[C@H](NC[C@H]1CN(C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932403 194173007 /nfs/dbraw/zinc/17/30/07/194173007.db2.gz QMRGDOUKUPOJJG-JSGCOSHPSA-N 0 0 302.382 0.644 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)CC3)ccc2O1 ZINC000106228744 194191227 /nfs/dbraw/zinc/19/12/27/194191227.db2.gz HTMWJDHXORTJNS-SNVBAGLBSA-N 0 0 310.375 0.521 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)C3=COCCO3)CC2)s1 ZINC000110941511 194372236 /nfs/dbraw/zinc/37/22/36/194372236.db2.gz ISQFQJNJBBCTDL-UHFFFAOYSA-N 0 0 309.391 0.984 10 0 DCAERN CCCC(=O)NCC(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000110947428 194372952 /nfs/dbraw/zinc/37/29/52/194372952.db2.gz SJMNUZGLEQRWIO-UHFFFAOYSA-N 0 0 305.378 0.757 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111078952 194389522 /nfs/dbraw/zinc/38/95/22/194389522.db2.gz FEXXNOBNLBCYRC-CQSZACIVSA-N 0 0 322.409 0.663 10 0 DCAERN Cn1nccc1CNC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000056657813 184017166 /nfs/dbraw/zinc/01/71/66/184017166.db2.gz MMLYEONLOFCYSB-CYBMUJFWSA-N 0 0 322.340 0.798 10 0 DCAERN CCN(CCCNC(=O)C1C[C@@H](C)O[C@H](C)C1)S(C)(=O)=O ZINC000094033128 284900224 /nfs/dbraw/zinc/90/02/24/284900224.db2.gz VTNDVRARLDRWNP-VXGBXAGGSA-N 0 0 320.455 0.978 10 0 DCAERN CCCn1c(N2CCN(S(C)(=O)=O)CC2)n[nH]c1=S ZINC000062085668 184205181 /nfs/dbraw/zinc/20/51/81/184205181.db2.gz GNIJPWLAWXNUDI-UHFFFAOYSA-N 0 0 305.429 0.432 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)N2CCNC(=O)CC2)c1 ZINC000062100125 184205846 /nfs/dbraw/zinc/20/58/46/184205846.db2.gz KGLFUQFYFCWUAB-UHFFFAOYSA-N 0 0 303.771 0.433 10 0 DCAERN NS(=O)(=O)Cc1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000062962217 184262468 /nfs/dbraw/zinc/26/24/68/184262468.db2.gz DGVPXVRURCDQBP-LLVKDONJSA-N 0 0 304.393 0.074 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000063768130 184287931 /nfs/dbraw/zinc/28/79/31/184287931.db2.gz KQKGHZROSQSBCZ-GHMZBOCLSA-N 0 0 323.418 0.933 10 0 DCAERN O=C(NCCOc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112740118 194516256 /nfs/dbraw/zinc/51/62/56/194516256.db2.gz SCSCVEROZCTNAL-GFCCVEGCSA-N 0 0 301.350 0.971 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)C[C@@H]1C ZINC000188477871 532950984 /nfs/dbraw/zinc/95/09/84/532950984.db2.gz RPZAIFWGTUBRGH-RRFJBIMHSA-N 0 0 313.442 0.900 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(CCCO)c2ccccc2)CC1 ZINC000085902546 252587620 /nfs/dbraw/zinc/58/76/20/252587620.db2.gz QYIAZRSFIMKWQB-UHFFFAOYSA-N 0 0 319.405 0.566 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000185789923 252612953 /nfs/dbraw/zinc/61/29/53/252612953.db2.gz FVVQHJSLHJVKDD-CYBMUJFWSA-N 0 0 303.362 0.430 10 0 DCAERN O=S(=O)(NCC1(CO)CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333110560 252680856 /nfs/dbraw/zinc/68/08/56/252680856.db2.gz DWLJOLSNJPYNGO-AGIUHOORSA-N 0 0 303.424 0.884 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NC1(CCO)CCCC1)CCCC2 ZINC000333133636 252685245 /nfs/dbraw/zinc/68/52/45/252685245.db2.gz XIUJJJXAIHPZBQ-UHFFFAOYSA-N 0 0 307.394 0.948 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[nH]1 ZINC000333158511 252689243 /nfs/dbraw/zinc/68/92/43/252689243.db2.gz NAPKYYAFKSVCJF-SECBINFHSA-N 0 0 323.378 0.030 10 0 DCAERN COCCNC(=O)[C@H](C1CCCC1)N1CCN(C(C)=O)CC1 ZINC000036251542 285070582 /nfs/dbraw/zinc/07/05/82/285070582.db2.gz ZLNDMBKVXDAJJZ-HNNXBMFYSA-N 0 0 311.426 0.472 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000339724327 253133572 /nfs/dbraw/zinc/13/35/72/253133572.db2.gz SAGGZHCSOQUFBG-SSDOTTSWSA-N 0 0 306.746 0.982 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)C1 ZINC000340596310 253282114 /nfs/dbraw/zinc/28/21/14/253282114.db2.gz OCKNUJMXZFUAKA-IUCAKERBSA-N 0 0 304.334 0.866 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000341493059 253386046 /nfs/dbraw/zinc/38/60/46/253386046.db2.gz VIKCJRZABDHWAZ-KBPBESRZSA-N 0 0 324.425 0.731 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@@H](OC)C[C@@H]2COC)nc1 ZINC000343715176 253690324 /nfs/dbraw/zinc/69/03/24/253690324.db2.gz QEEJBOOSQKTKOU-MNOVXSKESA-N 0 0 315.395 0.230 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000345517064 253936691 /nfs/dbraw/zinc/93/66/91/253936691.db2.gz HDBNEADYIZCDKT-RYUDHWBXSA-N 0 0 320.349 0.450 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000105034775 220439360 /nfs/dbraw/zinc/43/93/60/220439360.db2.gz HZZJYNPKXXFWGW-CYBMUJFWSA-N 0 0 311.407 0.927 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000347243731 254141968 /nfs/dbraw/zinc/14/19/68/254141968.db2.gz CLZILSHCJIGMHF-MWLCHTKSSA-N 0 0 308.313 0.303 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000347267701 254143650 /nfs/dbraw/zinc/14/36/50/254143650.db2.gz UDFJQPWAYLZZGI-ZIAGYGMSSA-N 0 0 316.336 0.969 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000312737994 296395579 /nfs/dbraw/zinc/39/55/79/296395579.db2.gz IQZTUKJMPISHAW-ZJUUUORDSA-N 0 0 316.345 0.962 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1C ZINC000351054074 254332821 /nfs/dbraw/zinc/33/28/21/254332821.db2.gz JBUFAOWONWIKTM-ZYHUDNBSSA-N 0 0 319.361 0.590 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)S(N)(=O)=O ZINC000350616209 254319082 /nfs/dbraw/zinc/31/90/82/254319082.db2.gz OZTNDLZTSGORHI-KWQFWETISA-N 0 0 300.405 0.497 10 0 DCAERN C[C@H](CNC(=O)COc1ccc(F)cc1Cl)S(N)(=O)=O ZINC000350618379 254319294 /nfs/dbraw/zinc/31/92/94/254319294.db2.gz DKIKBZPTIMSKLR-SSDOTTSWSA-N 0 0 324.761 0.651 10 0 DCAERN C[C@@H](CNC(=O)COc1cccc(Cl)c1)S(N)(=O)=O ZINC000350620127 254320023 /nfs/dbraw/zinc/32/00/23/254320023.db2.gz LWNPDOMIBQWRCA-QMMMGPOBSA-N 0 0 306.771 0.512 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12)S(N)(=O)=O ZINC000350621375 254320429 /nfs/dbraw/zinc/32/04/29/254320429.db2.gz QZFZUYIWOHXMNI-GMXABZIVSA-N 0 0 324.402 0.520 10 0 DCAERN COc1cccc(CCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350627056 254320599 /nfs/dbraw/zinc/32/05/99/254320599.db2.gz CFMMFTBWUSLMLX-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CCCc2sccc21)S(N)(=O)=O ZINC000350629723 254321203 /nfs/dbraw/zinc/32/12/03/254321203.db2.gz RGALTCFSTDLXCH-PSASIEDQSA-N 0 0 302.421 0.961 10 0 DCAERN C[C@H](CNC(=O)c1ccncc1Br)S(N)(=O)=O ZINC000350627513 254321352 /nfs/dbraw/zinc/32/13/52/254321352.db2.gz FCLSHWLYETYZHB-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(Br)o1)S(N)(=O)=O ZINC000350630349 254321810 /nfs/dbraw/zinc/32/18/10/254321810.db2.gz ZQYKFSPKOFBALT-YFKPBYRVSA-N 0 0 311.157 0.449 10 0 DCAERN CC(=O)CCCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000351976111 254386683 /nfs/dbraw/zinc/38/66/83/254386683.db2.gz SLHKFMCVNGIPOR-ZDUSSCGKSA-N 0 0 320.393 0.787 10 0 DCAERN CCN1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1=O ZINC000189877706 285212657 /nfs/dbraw/zinc/21/26/57/285212657.db2.gz BQZJFFGOGRGQAX-GFCCVEGCSA-N 0 0 320.397 0.685 10 0 DCAERN Cc1cnc(C(=O)N2CC[C@@H](O)[C@H]2Cc2cnn(C)c2)cn1 ZINC000248135143 257108498 /nfs/dbraw/zinc/10/84/98/257108498.db2.gz OICVHONVGFGNHG-ZIAGYGMSSA-N 0 0 301.350 0.337 10 0 DCAERN Cc1nc(CN2C(=O)C[C@H]3[C@H]2CCN3S(C)(=O)=O)cs1 ZINC000248052964 257108939 /nfs/dbraw/zinc/10/89/39/257108939.db2.gz SVLZQUPKYDFFHH-MNOVXSKESA-N 0 0 315.420 0.586 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(c3ccncn3)C[C@H]2O1 ZINC000247891492 257115017 /nfs/dbraw/zinc/11/50/17/257115017.db2.gz UBLNQHMVIMNVHH-FRRDWIJNSA-N 0 0 306.366 0.223 10 0 DCAERN COCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC000247809944 257117840 /nfs/dbraw/zinc/11/78/40/257117840.db2.gz BYFXMGIWZRAVCS-TZMCWYRMSA-N 0 0 306.337 0.889 10 0 DCAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000247497435 257119198 /nfs/dbraw/zinc/11/91/98/257119198.db2.gz DJPSUAZKJPGYBG-DZGCQCFKSA-N 0 0 324.402 0.324 10 0 DCAERN COC(=O)[C@H]1C[C@]2(CCC(=O)O2)C(=O)N1C(=O)OC(C)(C)C ZINC000212853768 257132226 /nfs/dbraw/zinc/13/22/26/257132226.db2.gz XCIYBLSSMABYNZ-XLKFXECMSA-N 0 0 313.306 0.771 10 0 DCAERN O=C(c1ccnnc1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000253616406 257104540 /nfs/dbraw/zinc/10/45/40/257104540.db2.gz WRHYKKNAPAHHKQ-DGCLKSJQSA-N 0 0 310.317 0.002 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)NCc2cscn2)CC1 ZINC000176685037 533307868 /nfs/dbraw/zinc/30/78/68/533307868.db2.gz YJIISZLNKCNYJB-UHFFFAOYSA-N 0 0 304.393 0.906 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCNC(=O)C1(C)C ZINC000182628703 533452778 /nfs/dbraw/zinc/45/27/78/533452778.db2.gz MJEZPMGDUUTZMQ-UHFFFAOYSA-N 0 0 317.349 0.328 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000283815249 131025803 /nfs/dbraw/zinc/02/58/03/131025803.db2.gz JFGWRZBFLJJULO-CYBMUJFWSA-N 0 0 318.377 0.958 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ncc(Br)cn2)C1 ZINC000284452375 131081402 /nfs/dbraw/zinc/08/14/02/131081402.db2.gz GQHKRVTZLKXUNL-YUMQZZPRSA-N 0 0 301.144 0.318 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(Br)o2)C1 ZINC000284501937 131086621 /nfs/dbraw/zinc/08/66/21/131086621.db2.gz DKCCEBKPUXYYGZ-BQBZGAKWSA-N 0 0 317.139 0.757 10 0 DCAERN CC(C)Cn1cc(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cn1 ZINC000284609003 131096616 /nfs/dbraw/zinc/09/66/16/131096616.db2.gz MAAJLEVDAZQMEY-AWEZNQCLSA-N 0 0 304.354 0.391 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000284668855 131102590 /nfs/dbraw/zinc/10/25/90/131102590.db2.gz WJJFYOIJGNILJH-CQSZACIVSA-N 0 0 301.354 0.293 10 0 DCAERN Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4OCCN(C)[C@H]4C3)on2)cn1 ZINC000284706236 131105338 /nfs/dbraw/zinc/10/53/38/131105338.db2.gz IUQDOGVKMZSOEF-HOTGVXAUSA-N 0 0 317.393 0.980 10 0 DCAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCN2C)n1 ZINC000284856758 131115846 /nfs/dbraw/zinc/11/58/46/131115846.db2.gz FHGYJLIQDZPEAU-LBPRGKRZSA-N 0 0 323.378 0.450 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@@H](COC)OC(C)(C)C2)n1 ZINC000284926747 131123343 /nfs/dbraw/zinc/12/33/43/131123343.db2.gz CULNPOWMSDMYBR-LBPRGKRZSA-N 0 0 311.382 0.796 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(Cl)s1 ZINC000285049120 131134029 /nfs/dbraw/zinc/13/40/29/131134029.db2.gz ODNKKPOCBXGYMH-RITPCOANSA-N 0 0 312.775 0.988 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000285170908 131144408 /nfs/dbraw/zinc/14/44/08/131144408.db2.gz UYNDTCHSISOTCR-SCZZXKLOSA-N 0 0 304.318 0.721 10 0 DCAERN COC[C@H]1CN(C(=O)c2nc3nccc(C)n3n2)CC(C)(C)O1 ZINC000285250114 131151000 /nfs/dbraw/zinc/15/10/00/131151000.db2.gz ZBQVZCMATOOBLI-LLVKDONJSA-N 0 0 319.365 0.699 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000285514304 131176003 /nfs/dbraw/zinc/17/60/03/131176003.db2.gz MXCDWAQETKCRHV-INIZCTEOSA-N 0 0 318.377 0.134 10 0 DCAERN CC1(C)CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](CO)O1 ZINC000163843414 132124455 /nfs/dbraw/zinc/12/44/55/132124455.db2.gz XJOUARHNFFRKKX-QWHCGFSZSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CCS1(=O)=O ZINC000121732999 132158504 /nfs/dbraw/zinc/15/85/04/132158504.db2.gz BVDSZLPMYXYIJF-CYBMUJFWSA-N 0 0 310.419 0.764 10 0 DCAERN COC(C)(C)C(=O)N1CCCN(C(=O)C(C)(C)OC)CC1 ZINC000408357614 292044903 /nfs/dbraw/zinc/04/49/03/292044903.db2.gz BMUCXMDDMFQIHS-UHFFFAOYSA-N 0 0 300.399 0.897 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@H](O)CNC(=O)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000005727817 395682812 /nfs/dbraw/zinc/68/28/12/395682812.db2.gz WLYZZWYBLUGTEJ-WPLOAARJSA-N 0 0 323.345 0.015 10 0 DCAERN CCNC(=O)CN(CC(=O)NCC)Cc1ccc(COC)cc1 ZINC000031472994 395706775 /nfs/dbraw/zinc/70/67/75/395706775.db2.gz NBTCMUJMGQWZEF-UHFFFAOYSA-N 0 0 321.421 0.907 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1O ZINC000089225827 395708809 /nfs/dbraw/zinc/70/88/09/395708809.db2.gz UZGVXXNOBAOLBG-UMVBOHGHSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1O ZINC000089410730 395710914 /nfs/dbraw/zinc/71/09/14/395710914.db2.gz XXIGHCKBVSQCOV-GWCFXTLKSA-N 0 0 302.334 0.021 10 0 DCAERN C[C@H]1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1O ZINC000089475745 395712012 /nfs/dbraw/zinc/71/20/12/395712012.db2.gz WHYHJAQEUHHGGL-WDEREUQCSA-N 0 0 304.412 0.224 10 0 DCAERN C[C@H]1CCC[C@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000033184459 395716607 /nfs/dbraw/zinc/71/66/07/395716607.db2.gz MHZSARFOFVLYQP-DDOQPMFUSA-N 0 0 305.378 0.792 10 0 DCAERN COC(=O)[C@H](Cc1cc(OC)c(OC)c(OC)c1)NC(C)=O ZINC000034502548 395718273 /nfs/dbraw/zinc/71/82/73/395718273.db2.gz IQKGSVANHBSPPN-NSHDSACASA-N 0 0 311.334 0.933 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000038017506 395730972 /nfs/dbraw/zinc/73/09/72/395730972.db2.gz MPCCIHOSJOGHMQ-PHIMTYICSA-N 0 0 308.400 0.225 10 0 DCAERN COC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000038106043 395731605 /nfs/dbraw/zinc/73/16/05/395731605.db2.gz BOQZMFGDFFZPFX-UHFFFAOYSA-N 0 0 317.754 0.829 10 0 DCAERN COC(=O)CCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000041041060 395735210 /nfs/dbraw/zinc/73/52/10/395735210.db2.gz ZWUWEDHOLZJMCS-UHFFFAOYSA-N 0 0 319.335 0.524 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC000041127358 395735677 /nfs/dbraw/zinc/73/56/77/395735677.db2.gz PVUONSIGMHHOOI-OLZOCXBDSA-N 0 0 315.373 0.682 10 0 DCAERN C[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)N1CCOCC1 ZINC000041600595 395738329 /nfs/dbraw/zinc/73/83/29/395738329.db2.gz GDISKCKCBXBWJH-NSHDSACASA-N 0 0 309.341 0.601 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000042647868 395747149 /nfs/dbraw/zinc/74/71/49/395747149.db2.gz RUFBTNVHVBGWFG-AWEZNQCLSA-N 0 0 318.373 0.899 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCS1(=O)=O ZINC000333037637 296523062 /nfs/dbraw/zinc/52/30/62/296523062.db2.gz XCCMEONCUSXGLQ-KGYLQXTDSA-N 0 0 316.423 0.773 10 0 DCAERN CC(=O)NCCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000096604326 395754752 /nfs/dbraw/zinc/75/47/52/395754752.db2.gz NRLFZOKKJQGOEE-UHFFFAOYSA-N 0 0 317.389 0.791 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(N)=O)CC2=O)cc1 ZINC000044646472 395757671 /nfs/dbraw/zinc/75/76/71/395757671.db2.gz XRZDXURWDXKFHT-OCCSQVGLSA-N 0 0 315.373 0.824 10 0 DCAERN CCO[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000106386603 395782456 /nfs/dbraw/zinc/78/24/56/395782456.db2.gz GQTBRWLGBGQJQH-BCVOHNGISA-N 0 0 318.322 0.563 10 0 DCAERN O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000106510440 395782630 /nfs/dbraw/zinc/78/26/30/395782630.db2.gz YDALIUXJCBDQDH-VXGBXAGGSA-N 0 0 315.439 0.490 10 0 DCAERN OC[C@@H]1O[C@@H](OCCCC2CCCCC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106382364 395782930 /nfs/dbraw/zinc/78/29/30/395782930.db2.gz DQXKLNVVAXZAEN-NJVJYBDUSA-N 0 0 304.383 0.163 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000044738095 395758728 /nfs/dbraw/zinc/75/87/28/395758728.db2.gz JHDVEOZTIXMGPW-CQSZACIVSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)NCCCN2C(=O)CNC2=O)o1 ZINC000108442437 395788901 /nfs/dbraw/zinc/78/89/01/395788901.db2.gz ORCVYHIGSMKWLJ-JTQLQIEISA-N 0 0 308.338 0.890 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCCN(c2ncccn2)C1)NC1CC1 ZINC000045106320 395761256 /nfs/dbraw/zinc/76/12/56/395761256.db2.gz IVMCJBCNUGQJHN-LBPRGKRZSA-N 0 0 318.381 0.023 10 0 DCAERN 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ISXRDOGULFIKIV-UHFFFAOYSA-N 0 0 312.333 0.492 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC(C3OCCO3)CC2)c1 ZINC000118077970 395858211 /nfs/dbraw/zinc/85/82/11/395858211.db2.gz RATUWHNIADNWPT-UHFFFAOYSA-N 0 0 308.382 0.986 10 0 DCAERN CN(CCN1C(=O)CNC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251568 395804587 /nfs/dbraw/zinc/80/45/87/395804587.db2.gz GTRGVEIWQFHKMP-ZDUSSCGKSA-N 0 0 316.361 0.276 10 0 DCAERN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CNC(=O)C1 ZINC000194777864 395807436 /nfs/dbraw/zinc/80/74/36/395807436.db2.gz YSFFIVRBBOTYOV-WCQYABFASA-N 0 0 313.361 0.923 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000111345705 395807498 /nfs/dbraw/zinc/80/74/98/395807498.db2.gz JUAZXQVOXGVZRY-AWEZNQCLSA-N 0 0 319.471 0.617 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CNC(=O)C1 ZINC000194864098 395810276 /nfs/dbraw/zinc/81/02/76/395810276.db2.gz WZZAWYQGXISOEC-LLVKDONJSA-N 0 0 305.334 0.137 10 0 DCAERN O=C(NCCCCO)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000195010957 395813287 /nfs/dbraw/zinc/81/32/87/395813287.db2.gz HMKIJMPGHWQTAQ-ZDUSSCGKSA-N 0 0 306.362 0.886 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000194997665 395813474 /nfs/dbraw/zinc/81/34/74/395813474.db2.gz KEXJHGSPNPFNPF-CYBMUJFWSA-N 0 0 303.362 0.591 10 0 DCAERN C[C@@H](NC(=O)N[C@@H](C)CO)c1ccc(S(C)(=O)=O)cc1 ZINC000048541824 395817215 /nfs/dbraw/zinc/81/72/15/395817215.db2.gz GVWPYWXSWBVYLC-VHSXEESVSA-N 0 0 300.380 0.831 10 0 DCAERN COc1ccccc1OCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112652040 395820786 /nfs/dbraw/zinc/82/07/86/395820786.db2.gz YOJHESNGKDGOCV-NSHDSACASA-N 0 0 302.334 0.797 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(C)COC1 ZINC000112693444 395821825 /nfs/dbraw/zinc/82/18/25/395821825.db2.gz YNOMIBCMRURGEN-SECBINFHSA-N 0 0 318.420 0.568 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000195213470 395821871 /nfs/dbraw/zinc/82/18/71/395821871.db2.gz OAPXOPMTDUFDEA-CYBMUJFWSA-N 0 0 306.362 0.961 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)CC2 ZINC000195277298 395822796 /nfs/dbraw/zinc/82/27/96/395822796.db2.gz NYIOKUPQGPPIMT-QWRGUYRKSA-N 0 0 305.382 0.311 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCOC2)s1 ZINC000113196897 395828632 /nfs/dbraw/zinc/82/86/32/395828632.db2.gz IMFKCTLLCNAZIV-QMMMGPOBSA-N 0 0 304.393 0.233 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000195490520 395830058 /nfs/dbraw/zinc/83/00/58/395830058.db2.gz TWMVAGMDEAFOMW-ZWNOBZJWSA-N 0 0 310.423 0.865 10 0 DCAERN CC(C)CNC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000195509120 395830800 /nfs/dbraw/zinc/83/08/00/395830800.db2.gz QRAZQZBBWLTWPX-UHFFFAOYSA-N 0 0 308.426 0.827 10 0 DCAERN CCN(C(=O)c1cnn2ccc(C)nc12)[C@H](C)CS(C)(=O)=O ZINC000114133946 395833047 /nfs/dbraw/zinc/83/30/47/395833047.db2.gz APZVJRPUAZZUAX-LLVKDONJSA-N 0 0 324.406 0.933 10 0 DCAERN CC(C)CCSCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116830700 395846368 /nfs/dbraw/zinc/84/63/68/395846368.db2.gz JGYGRVGUHWQMLO-LLVKDONJSA-N 0 0 308.469 0.916 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000116834472 395846964 /nfs/dbraw/zinc/84/69/64/395846964.db2.gz UHJDSGGWUJCMFG-LLVKDONJSA-N 0 0 300.355 0.898 10 0 DCAERN C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116833720 395847091 /nfs/dbraw/zinc/84/70/91/395847091.db2.gz JGENDUKCTAGWKF-NWDGAFQWSA-N 0 0 312.391 0.604 10 0 DCAERN COCc1ccccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116835781 395847726 /nfs/dbraw/zinc/84/77/26/395847726.db2.gz KJEBJVSTWATETF-GFCCVEGCSA-N 0 0 312.391 0.597 10 0 DCAERN CC(C)CCO[C@@H](C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116834902 395847824 /nfs/dbraw/zinc/84/78/24/395847824.db2.gz JUALEMACISMFDU-NWDGAFQWSA-N 0 0 306.428 0.588 10 0 DCAERN CC(C)CCO[C@H](C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116834899 395847916 /nfs/dbraw/zinc/84/79/16/395847916.db2.gz JUALEMACISMFDU-NEPJUHHUSA-N 0 0 306.428 0.588 10 0 DCAERN COCCN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1C ZINC000117424994 395853292 /nfs/dbraw/zinc/85/32/92/395853292.db2.gz XFYNNNCKORHBST-ZDUSSCGKSA-N 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QZQOYURRWLTESN-TUAOUCFPSA-N 0 0 305.396 0.817 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000123125531 395892097 /nfs/dbraw/zinc/89/20/97/395892097.db2.gz SMPNRKBFAYQPPF-LRDDRELGSA-N 0 0 320.393 0.995 10 0 DCAERN CCn1cc(C2CCN(C(=O)CSCC(N)=O)CC2)cn1 ZINC000123621177 395895685 /nfs/dbraw/zinc/89/56/85/395895685.db2.gz CIMITXWZRHMKGF-UHFFFAOYSA-N 0 0 310.423 0.828 10 0 DCAERN CN1C[C@H](NC(=O)CCNC(=O)c2cccs2)CCC1=O ZINC000133690736 395929565 /nfs/dbraw/zinc/92/95/65/395929565.db2.gz CYZFSXLWJJOMMB-SNVBAGLBSA-N 0 0 309.391 0.605 10 0 DCAERN CSC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000133642693 395929832 /nfs/dbraw/zinc/92/98/32/395929832.db2.gz XBFBACNEMQBELU-ZJUUUORDSA-N 0 0 300.380 0.628 10 0 DCAERN Cc1noc(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)n1 ZINC000054659992 395903754 /nfs/dbraw/zinc/90/37/54/395903754.db2.gz RUBDVFHVMVSMAR-UHFFFAOYSA-N 0 0 303.257 0.809 10 0 DCAERN COC(=O)CCNC(=O)CN1CCO[C@@H](c2ccsc2)C1 ZINC000126118853 395910361 /nfs/dbraw/zinc/91/03/61/395910361.db2.gz MRCRVXGZJGUWMG-GFCCVEGCSA-N 0 0 312.391 0.801 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CNC(=O)C(C)(C)C)[C@@H]2C1 ZINC000126337599 395911864 /nfs/dbraw/zinc/91/18/64/395911864.db2.gz LUQHUJAGAWXLPL-UPJWGTAASA-N 0 0 312.410 0.944 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC000127144608 395915340 /nfs/dbraw/zinc/91/53/40/395915340.db2.gz TWIOLTTZOSTVTG-RAIGVLPGSA-N 0 0 307.350 0.189 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCn2cccn2)[C@@H]1c1cccnc1 ZINC000129172248 395919933 /nfs/dbraw/zinc/91/99/33/395919933.db2.gz FRVAKHZXZZQBIW-ZFWWWQNUSA-N 0 0 313.361 0.614 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000131029156 395924099 /nfs/dbraw/zinc/92/40/99/395924099.db2.gz BMMFEDBFHFKXHL-AAEUAGOBSA-N 0 0 318.377 0.934 10 0 DCAERN CN(C)CCN(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000244109166 395924401 /nfs/dbraw/zinc/92/44/01/395924401.db2.gz UIPUQQROZRCDQJ-HNNXBMFYSA-N 0 0 324.446 0.806 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC000119523407 395872273 /nfs/dbraw/zinc/87/22/73/395872273.db2.gz HFBPJPXUOYSPOV-LLVKDONJSA-N 0 0 318.377 0.591 10 0 DCAERN CC[C@H]1NC(=O)N([C@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272137731 395872711 /nfs/dbraw/zinc/87/27/11/395872711.db2.gz LFVHORKYUCKDMI-MNOVXSKESA-N 0 0 319.365 0.554 10 0 DCAERN CCCCOCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119939904 395879296 /nfs/dbraw/zinc/87/92/96/395879296.db2.gz KBEHNSOZVBKSCO-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN CC(C)(C)n1cc(CN2CCN(CCOCCO)CC2)cn1 ZINC000132965082 395928483 /nfs/dbraw/zinc/92/84/83/395928483.db2.gz CGLYLUFONKKUFG-UHFFFAOYSA-N 0 0 310.442 0.765 10 0 DCAERN CCOC(=O)c1csc(NCCCNS(C)(=O)=O)n1 ZINC000230974203 395882867 /nfs/dbraw/zinc/88/28/67/395882867.db2.gz YXSWRVYMWJWCPM-UHFFFAOYSA-N 0 0 307.397 0.671 10 0 DCAERN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000121507793 395884438 /nfs/dbraw/zinc/88/44/38/395884438.db2.gz HSPDKWZJAMCSTQ-MNOVXSKESA-N 0 0 309.332 0.148 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000248839440 395998210 /nfs/dbraw/zinc/99/82/10/395998210.db2.gz PALXMSVEZAHPGF-NXEZZACHSA-N 0 0 317.436 0.979 10 0 DCAERN C[C@@H](c1nc2ccccc2o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000245565543 395932496 /nfs/dbraw/zinc/93/24/96/395932496.db2.gz ZULPHSIIHYFWAH-QWRGUYRKSA-N 0 0 314.345 0.531 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H](c2ccc(F)cc2)O1 ZINC000152006104 395998555 /nfs/dbraw/zinc/99/85/55/395998555.db2.gz WHVAVBIIPAWCQE-ZWNOBZJWSA-N 0 0 305.313 0.801 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cn1 ZINC000248861826 395998616 /nfs/dbraw/zinc/99/86/16/395998616.db2.gz AIUMHWIWXATZJW-DRZSPHRISA-N 0 0 319.361 0.886 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000245775053 395936167 /nfs/dbraw/zinc/93/61/67/395936167.db2.gz ADAGMBWMIVNIOZ-CYBMUJFWSA-N 0 0 300.380 0.962 10 0 DCAERN Cn1nc(Br)c(S(N)(=O)=O)c1Br ZINC000135071064 395937464 /nfs/dbraw/zinc/93/74/64/395937464.db2.gz KZMVEHUYDRYDDO-UHFFFAOYSA-N 0 0 318.978 0.593 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)[C@H]1CCCN1c1nccs1 ZINC000246074268 395940782 /nfs/dbraw/zinc/94/07/82/395940782.db2.gz DTXWIXICTUAQTP-QWHCGFSZSA-N 0 0 321.450 0.228 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000246090283 395940922 /nfs/dbraw/zinc/94/09/22/395940922.db2.gz JNABYHIIGWWKHT-QWHCGFSZSA-N 0 0 321.425 0.553 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3n[nH]cc32)O1 ZINC000246078880 395940949 /nfs/dbraw/zinc/94/09/49/395940949.db2.gz UPYQVEGPGDTMDF-SUNKGSAMSA-N 0 0 320.393 0.582 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000135555601 395941399 /nfs/dbraw/zinc/94/13/99/395941399.db2.gz DLGTXHYYCHVOTK-LLVKDONJSA-N 0 0 305.256 0.611 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246134282 395941966 /nfs/dbraw/zinc/94/19/66/395941966.db2.gz YSKMUSKCXZSPIP-GHMZBOCLSA-N 0 0 320.397 0.637 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCO[C@]4(CCOC4)C3)cn12 ZINC000274388977 395944154 /nfs/dbraw/zinc/94/41/54/395944154.db2.gz BSEWLMAPYFCKDY-OAHLLOKOSA-N 0 0 302.334 0.669 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000136110476 395944391 /nfs/dbraw/zinc/94/43/91/395944391.db2.gz CRBNOVXMMJKJEQ-UHFFFAOYSA-N 0 0 314.411 0.355 10 0 DCAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@@H](C)O ZINC000136102770 395944501 /nfs/dbraw/zinc/94/45/01/395944501.db2.gz VZFCTOKIDHHYCF-YPMHNXCESA-N 0 0 318.381 0.740 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246368294 395948107 /nfs/dbraw/zinc/94/81/07/395948107.db2.gz LGOHQACEYLOWGI-CYBMUJFWSA-N 0 0 315.395 0.358 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246452295 395950827 /nfs/dbraw/zinc/95/08/27/395950827.db2.gz MCVSLLJCYIEJBF-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN COCCc1noc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533232 395951982 /nfs/dbraw/zinc/95/19/82/395951982.db2.gz SFFVGHRHDYPCPP-QWHCGFSZSA-N 0 0 310.398 0.411 10 0 DCAERN Nc1cccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000274497006 395952809 /nfs/dbraw/zinc/95/28/09/395952809.db2.gz RSOUNZFONRVQGY-SNVBAGLBSA-N 0 0 310.297 0.957 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H]1C ZINC000246656707 395955084 /nfs/dbraw/zinc/95/50/84/395955084.db2.gz GVWJYNBYHIVQCA-MZFXBISCSA-N 0 0 324.446 0.951 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C ZINC000246768672 395957034 /nfs/dbraw/zinc/95/70/34/395957034.db2.gz PEKIFLIJPRCZMR-RYUDHWBXSA-N 0 0 306.410 0.816 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246821421 395958437 /nfs/dbraw/zinc/95/84/37/395958437.db2.gz SNTCDRZBDXZDKO-XQQFMLRXSA-N 0 0 314.430 0.127 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000274558903 395958678 /nfs/dbraw/zinc/95/86/78/395958678.db2.gz IWWQWDOJBDUKGS-UWVGGRQHSA-N 0 0 321.424 0.099 10 0 DCAERN Cc1ccc(C)c(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000246863362 395959503 /nfs/dbraw/zinc/95/95/03/395959503.db2.gz SLUUMELDNLBSLL-GJZGRUSLSA-N 0 0 322.405 0.538 10 0 DCAERN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246879726 395960146 /nfs/dbraw/zinc/96/01/46/395960146.db2.gz GPCRMVCWUDWHIC-CHWSQXEVSA-N 0 0 307.398 0.887 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000144775630 395963258 /nfs/dbraw/zinc/96/32/58/395963258.db2.gz PIFOMLSICSMZNL-LBPRGKRZSA-N 0 0 311.363 0.283 10 0 DCAERN CCC[C@@H](C)CS(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246997730 395963890 /nfs/dbraw/zinc/96/38/90/395963890.db2.gz GMYRJUXEYVNALQ-GHMZBOCLSA-N 0 0 312.457 0.376 10 0 DCAERN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)NCC[C@@H]12 ZINC000146943683 395965842 /nfs/dbraw/zinc/96/58/42/395965842.db2.gz PXSGENNEQDCLDS-JSGCOSHPSA-N 0 0 317.345 0.939 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096713 395966683 /nfs/dbraw/zinc/96/66/83/395966683.db2.gz MGLXXLFFISMYOK-QJPTWQEYSA-N 0 0 305.444 0.303 10 0 DCAERN CCCCCNC(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100833 395967159 /nfs/dbraw/zinc/96/71/59/395967159.db2.gz MOEHHGAYBMZVMI-NWDGAFQWSA-N 0 0 305.444 0.305 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000247236681 395970038 /nfs/dbraw/zinc/97/00/38/395970038.db2.gz XJYPRHWRURAWHW-BFHYXJOUSA-N 0 0 312.410 0.803 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc12 ZINC000150276491 395971338 /nfs/dbraw/zinc/97/13/38/395971338.db2.gz LUFSPYNFYUJDQQ-PSASIEDQSA-N 0 0 301.350 0.992 10 0 DCAERN Cn1cc(NC(=O)CCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000150735457 395971578 /nfs/dbraw/zinc/97/15/78/395971578.db2.gz HLZRPJDIJBFXMZ-UHFFFAOYSA-N 0 0 305.309 0.794 10 0 DCAERN Cn1cc(NC(=O)COc2ccccc2F)c(=O)n(C)c1=O ZINC000150735827 395971942 /nfs/dbraw/zinc/97/19/42/395971942.db2.gz NSLHRVIVYAOHOI-UHFFFAOYSA-N 0 0 307.281 0.241 10 0 DCAERN Cn1cc(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000150739302 395972073 /nfs/dbraw/zinc/97/20/73/395972073.db2.gz LPEPXBVTIYBVNS-UHFFFAOYSA-N 0 0 323.736 0.755 10 0 DCAERN CCc1nc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cs1 ZINC000150737586 395972114 /nfs/dbraw/zinc/97/21/14/395972114.db2.gz RUMIROKWORHOMS-UHFFFAOYSA-N 0 0 308.363 0.284 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000150848143 395974245 /nfs/dbraw/zinc/97/42/45/395974245.db2.gz PJEIJZYJLVZZMT-GFCCVEGCSA-N 0 0 319.336 0.133 10 0 DCAERN CCCc1cc(=O)n2nc(N[C@H]3CCN(C)C3=O)sc2n1 ZINC000150925193 395975689 /nfs/dbraw/zinc/97/56/89/395975689.db2.gz SQMXPUINNAXCIU-VIFPVBQESA-N 0 0 307.379 0.746 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@H](C)N2CCOCC2)nn1 ZINC000151104029 395978435 /nfs/dbraw/zinc/97/84/35/395978435.db2.gz VMGODVSVWYBJPI-ZDUSSCGKSA-N 0 0 309.414 0.775 10 0 DCAERN C[C@@H]1CCc2ccccc2N1C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000248391667 395985291 /nfs/dbraw/zinc/98/52/91/395985291.db2.gz JPOKCYRCBAUABP-YUELXQCFSA-N 0 0 304.390 0.782 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)c1ncccc1O ZINC000275628098 395985367 /nfs/dbraw/zinc/98/53/67/395985367.db2.gz JNXGAUMGAOXKTF-SNVBAGLBSA-N 0 0 315.333 0.682 10 0 DCAERN Cc1nc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)sc1C ZINC000151437777 395986221 /nfs/dbraw/zinc/98/62/21/395986221.db2.gz MNJPLLODLMRSNP-UHFFFAOYSA-N 0 0 324.406 0.749 10 0 DCAERN Cc1noc(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000151466981 395986227 /nfs/dbraw/zinc/98/62/27/395986227.db2.gz ASJJDIDZRWNSPW-MNOVXSKESA-N 0 0 307.354 0.373 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)NCCn1ccnc1 ZINC000151493043 395986692 /nfs/dbraw/zinc/98/66/92/395986692.db2.gz YZTGZODZRHDZMJ-UHFFFAOYSA-N 0 0 323.374 0.957 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437953 395987005 /nfs/dbraw/zinc/98/70/05/395987005.db2.gz HNIMVCSFUBHPDV-OLZOCXBDSA-N 0 0 300.305 0.445 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000248491654 395988894 /nfs/dbraw/zinc/98/88/94/395988894.db2.gz OBMQMZWISQDBES-MJBXVCDLSA-N 0 0 321.425 0.801 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000276280877 395989791 /nfs/dbraw/zinc/98/97/91/395989791.db2.gz HTWMOGLUZMFDNS-NSHDSACASA-N 0 0 322.745 0.090 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000248672185 395993632 /nfs/dbraw/zinc/99/36/32/395993632.db2.gz FUDGQWGSCSLVPQ-OUAUKWLOSA-N 0 0 304.412 0.325 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)[nH]1 ZINC000248668269 395993972 /nfs/dbraw/zinc/99/39/72/395993972.db2.gz ADKRUGMKMIJWAV-MWLCHTKSSA-N 0 0 315.399 0.216 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCC(=O)N(C)CCc2ccccn2)O1 ZINC000151912487 395995561 /nfs/dbraw/zinc/99/55/61/395995561.db2.gz NGPVMNCCHYKMCV-OCCSQVGLSA-N 0 0 305.378 0.766 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000151958836 395997192 /nfs/dbraw/zinc/99/71/92/395997192.db2.gz HZRVLSYQWGGBQO-NXEZZACHSA-N 0 0 300.380 0.341 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000276442790 395997187 /nfs/dbraw/zinc/99/71/87/395997187.db2.gz FLVLQQLHHOSVMA-NSHDSACASA-N 0 0 304.133 0.451 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000276743029 396025181 /nfs/dbraw/zinc/02/51/81/396025181.db2.gz ROZSXUGCRDSMKP-YUTCNCBUSA-N 0 0 320.393 0.868 10 0 DCAERN CNC(=O)NC(=O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000067442963 396026406 /nfs/dbraw/zinc/02/64/06/396026406.db2.gz KTOUFWXACHAWIC-UHFFFAOYSA-N 0 0 316.365 0.364 10 0 DCAERN Cc1nccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000154012270 396028904 /nfs/dbraw/zinc/02/89/04/396028904.db2.gz FXXXOCOOWJCZAB-GFCCVEGCSA-N 0 0 300.366 0.917 10 0 DCAERN C[C@H](Oc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154119507 396031252 /nfs/dbraw/zinc/03/12/52/396031252.db2.gz FGTKTFCHBWPRFN-UONOGXRCSA-N 0 0 308.378 0.263 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154126779 396032437 /nfs/dbraw/zinc/03/24/37/396032437.db2.gz SJIDAWGUPQEVDM-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154158776 396032887 /nfs/dbraw/zinc/03/28/87/396032887.db2.gz VIYKMCPAYJWOKZ-HUUCEWRRSA-N 0 0 322.405 0.572 10 0 DCAERN Cn1nccc1CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000154806594 396043237 /nfs/dbraw/zinc/04/32/37/396043237.db2.gz JKUAIZAAFQLWJM-CQSZACIVSA-N 0 0 313.361 0.803 10 0 DCAERN COC[C@H](C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000154957747 396045061 /nfs/dbraw/zinc/04/50/61/396045061.db2.gz KDXGXJRPBKMLJU-VIFPVBQESA-N 0 0 306.409 0.425 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000068097702 396046056 /nfs/dbraw/zinc/04/60/56/396046056.db2.gz KQKGHZROSQSBCZ-QWRGUYRKSA-N 0 0 323.418 0.933 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 ZINC000155087437 396047126 /nfs/dbraw/zinc/04/71/26/396047126.db2.gz WBSGJBKTQYGNAR-LBPRGKRZSA-N 0 0 324.406 0.761 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000155218853 396048418 /nfs/dbraw/zinc/04/84/18/396048418.db2.gz IMGJDSVUOWCTRC-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1=O ZINC000155420131 396051891 /nfs/dbraw/zinc/05/18/91/396051891.db2.gz KIDOJJGYWFSAQD-GFCCVEGCSA-N 0 0 318.381 0.293 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1[C@H]1CCN(c2ccccc2)C1 ZINC000277143431 396052167 /nfs/dbraw/zinc/05/21/67/396052167.db2.gz AMHAXWJSPMIJBW-BBRMVZONSA-N 0 0 301.346 0.976 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068286336 396052417 /nfs/dbraw/zinc/05/24/17/396052417.db2.gz IFDFDQTWHTVERH-JQWIXIFHSA-N 0 0 317.389 0.980 10 0 DCAERN CC(C)Oc1cc(CNC(=O)NC[C@H]2CN(C)CCO2)ccn1 ZINC000155540205 396053233 /nfs/dbraw/zinc/05/32/33/396053233.db2.gz GZMYNNZTVSIBAC-AWEZNQCLSA-N 0 0 322.409 0.999 10 0 DCAERN CCO[C@@H](C)c1noc(CN2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000155657408 396055381 /nfs/dbraw/zinc/05/53/81/396055381.db2.gz ABKAXRQXOVFDEM-ZJUUUORDSA-N 0 0 303.384 0.786 10 0 DCAERN CCO[C@H](C)c1noc(CN2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000155657526 396055761 /nfs/dbraw/zinc/05/57/61/396055761.db2.gz ABKAXRQXOVFDEM-NXEZZACHSA-N 0 0 303.384 0.786 10 0 DCAERN CS(=O)(=O)CCN(C(=O)[C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000156116023 396061156 /nfs/dbraw/zinc/06/11/56/396061156.db2.gz CPIPBBFOTATELV-LLVKDONJSA-N 0 0 311.407 0.865 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1CCNS(=O)(=O)CC ZINC000069222511 396073331 /nfs/dbraw/zinc/07/33/31/396073331.db2.gz XTWCVPCCPZEVFA-LBPRGKRZSA-N 0 0 305.444 0.259 10 0 DCAERN O=C(Cn1cn[nH]c1=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000158275395 396064350 /nfs/dbraw/zinc/06/43/50/396064350.db2.gz FJLLMSBBXUJJDT-MRXNPFEDSA-N 0 0 314.345 0.272 10 0 DCAERN O=c1cc(I)cnn1CCn1cccn1 ZINC000158564114 396065114 /nfs/dbraw/zinc/06/51/14/396065114.db2.gz DHSLTYDWHIEAQN-UHFFFAOYSA-N 0 0 316.102 0.745 10 0 DCAERN C[C@H](C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1)S(C)(=O)=O ZINC000249513933 396009133 /nfs/dbraw/zinc/00/91/33/396009133.db2.gz PMULUFNXOGTZHB-YUSALJHKSA-N 0 0 317.432 0.716 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152460660 396009582 /nfs/dbraw/zinc/00/95/82/396009582.db2.gz DUJXLSZCVZJTFG-CYBMUJFWSA-N 0 0 306.366 0.771 10 0 DCAERN C[C@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCN1CCO ZINC000249596453 396010106 /nfs/dbraw/zinc/01/01/06/396010106.db2.gz WZBKISOIJXCZFM-HOCLYGCPSA-N 0 0 303.406 0.790 10 0 DCAERN CCc1cc(=O)n2nc(N(C)C[C@H](C)C(=O)OC)sc2n1 ZINC000152805889 396015699 /nfs/dbraw/zinc/01/56/99/396015699.db2.gz MYCHTBUTEUMQND-QMMMGPOBSA-N 0 0 310.379 0.959 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1nc(C)no1 ZINC000169781255 396091815 /nfs/dbraw/zinc/09/18/15/396091815.db2.gz ZHXPPJIQYDYZCU-VXGBXAGGSA-N 0 0 318.333 0.881 10 0 DCAERN Cc1noc([C@H]2CCN(C(=O)C3CC3)C[C@H]2NC(=O)C2CC2)n1 ZINC000169784264 396092487 /nfs/dbraw/zinc/09/24/87/396092487.db2.gz JLOBWDXXZRMSKS-QWHCGFSZSA-N 0 0 318.377 0.999 10 0 DCAERN Cc1ccc(CNC(=O)[C@H]2CCN(c3cn[nH]c(=O)c3)C2)o1 ZINC000169785409 396092654 /nfs/dbraw/zinc/09/26/54/396092654.db2.gz NCMHOIZIEIYRDY-NSHDSACASA-N 0 0 302.334 0.814 10 0 DCAERN CNC(=O)CCN(C)C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000170816278 396097609 /nfs/dbraw/zinc/09/76/09/396097609.db2.gz SPTICDJLFDOOJO-AWEZNQCLSA-N 0 0 305.378 0.848 10 0 DCAERN CCOCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303045 396101463 /nfs/dbraw/zinc/10/14/63/396101463.db2.gz NVCRWZHZJWBPGR-UHFFFAOYSA-N 0 0 301.364 0.717 10 0 DCAERN Cn1nccc1CNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000171063250 396105565 /nfs/dbraw/zinc/10/55/65/396105565.db2.gz RXFQAUIWMAUEJF-UHFFFAOYSA-N 0 0 301.350 0.561 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000171243447 396111753 /nfs/dbraw/zinc/11/17/53/396111753.db2.gz TYFXOQSLMASOAJ-QMMMGPOBSA-N 0 0 311.288 0.498 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)C[C@@H](C)O1 ZINC000071354322 396113235 /nfs/dbraw/zinc/11/32/35/396113235.db2.gz DLNNBZDWMFXKLP-VXGBXAGGSA-N 0 0 314.407 0.623 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)Cn1c(C)c(C)sc1=O ZINC000171313491 396113530 /nfs/dbraw/zinc/11/35/30/396113530.db2.gz WMXAHFMRKLVUSO-UHFFFAOYSA-N 0 0 300.380 0.985 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000171295339 396113582 /nfs/dbraw/zinc/11/35/82/396113582.db2.gz RZFFIZWSEDKIEI-QMMMGPOBSA-N 0 0 309.351 0.348 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)C1CC1 ZINC000171339052 396114505 /nfs/dbraw/zinc/11/45/05/396114505.db2.gz XXFARGUFBODSHU-UHFFFAOYSA-N 0 0 316.404 0.449 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403962 396116298 /nfs/dbraw/zinc/11/62/98/396116298.db2.gz FYXFZZIUCIGILT-CQSZACIVSA-N 0 0 304.394 0.742 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000171769509 396124348 /nfs/dbraw/zinc/12/43/48/396124348.db2.gz HNZNOYXUPLEMLV-JTQLQIEISA-N 0 0 306.409 0.883 10 0 DCAERN COc1ncnc(OC)c1C(=O)NCCc1c(C)nn(C)c1C ZINC000171842306 396125874 /nfs/dbraw/zinc/12/58/74/396125874.db2.gz WRVMYBHUSULHHT-UHFFFAOYSA-N 0 0 319.365 0.817 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000072632771 396133038 /nfs/dbraw/zinc/13/30/38/396133038.db2.gz YRFHYYPLXLEWJN-JHJVBQTASA-N 0 0 317.455 0.529 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278960488 396143750 /nfs/dbraw/zinc/14/37/50/396143750.db2.gz NLCNGFZFQNCIPL-BMIGLBTASA-N 0 0 321.402 0.605 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccnn3C)CCO2)o1 ZINC000162811244 396084337 /nfs/dbraw/zinc/08/43/37/396084337.db2.gz ZNMQGERMJKRPMU-LBPRGKRZSA-N 0 0 318.333 0.860 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000178749284 396207202 /nfs/dbraw/zinc/20/72/02/396207202.db2.gz NXTCMUDKXINYBI-GFCCVEGCSA-N 0 0 307.354 0.717 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263244791 396208438 /nfs/dbraw/zinc/20/84/38/396208438.db2.gz PDNDYQPHKFPHPE-VHSXEESVSA-N 0 0 313.352 0.830 10 0 DCAERN CCOCCNC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000175958551 396146984 /nfs/dbraw/zinc/14/69/84/396146984.db2.gz RVGXWOZEUBCTIZ-UHFFFAOYSA-N 0 0 321.425 0.450 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000176293776 396153909 /nfs/dbraw/zinc/15/39/09/396153909.db2.gz KXSYXVCDUASRLY-KOLCDFICSA-N 0 0 317.349 0.949 10 0 DCAERN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000176538391 396156625 /nfs/dbraw/zinc/15/66/25/396156625.db2.gz SZIZOSVULDIEFX-AAEUAGOBSA-N 0 0 301.346 0.943 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176600130 396158471 /nfs/dbraw/zinc/15/84/71/396158471.db2.gz JYJBELNHFWSQHI-WDEREUQCSA-N 0 0 307.354 0.708 10 0 DCAERN CC(C)n1nnnc1SCCn1nc2ccccn2c1=O ZINC000074233234 396161758 /nfs/dbraw/zinc/16/17/58/396161758.db2.gz WDNRZRZTNWDVHO-UHFFFAOYSA-N 0 0 305.367 0.856 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(C)nn(C)c1C ZINC000177006691 396164565 /nfs/dbraw/zinc/16/45/65/396164565.db2.gz MCAHATODFBBEIQ-LLVKDONJSA-N 0 0 324.410 0.750 10 0 DCAERN C[C@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@@H](C)CO1 ZINC000074523501 396168710 /nfs/dbraw/zinc/16/87/10/396168710.db2.gz KDIBMENLVHPBRS-RYUDHWBXSA-N 0 0 308.382 0.407 10 0 DCAERN O=C([C@@H]1CSCCS1)N1CCO[C@H](Cn2cccn2)C1 ZINC000177280356 396170887 /nfs/dbraw/zinc/17/08/87/396170887.db2.gz PCXLJYHXWDCLDL-RYUDHWBXSA-N 0 0 313.448 0.959 10 0 DCAERN O=C([C@H]1CSCCS1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177280393 396171126 /nfs/dbraw/zinc/17/11/26/396171126.db2.gz PCXLJYHXWDCLDL-VXGBXAGGSA-N 0 0 313.448 0.959 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000177305660 396171856 /nfs/dbraw/zinc/17/18/56/396171856.db2.gz JMXFURMAZUFYDY-KWQFWETISA-N 0 0 319.287 0.822 10 0 DCAERN CNC(=O)c1ccc(N[C@@H]2CCCN(c3cnn(C)c3)C2)nn1 ZINC000074766387 396172137 /nfs/dbraw/zinc/17/21/37/396172137.db2.gz KXJLBYIGVOUHBP-LLVKDONJSA-N 0 0 315.381 0.651 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCC(=O)N1 ZINC000074853126 396173101 /nfs/dbraw/zinc/17/31/01/396173101.db2.gz SBIJQLVGGNNEJL-JTQLQIEISA-N 0 0 315.329 0.068 10 0 DCAERN O=C(Nc1c(F)cccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177628214 396180410 /nfs/dbraw/zinc/18/04/10/396180410.db2.gz VWJWDPGFMPALPN-MRVPVSSYSA-N 0 0 321.287 0.626 10 0 DCAERN O=S(=O)(Cc1ncc(-c2ccccc2F)o1)C[C@@H](O)CO ZINC000177670126 396180512 /nfs/dbraw/zinc/18/05/12/396180512.db2.gz CVLYLWXGWQRFGR-VIFPVBQESA-N 0 0 315.322 0.749 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000177797801 396183635 /nfs/dbraw/zinc/18/36/35/396183635.db2.gz BPRYOBWVHIEXHE-JGVFFNPUSA-N 0 0 314.411 0.907 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000177812033 396184614 /nfs/dbraw/zinc/18/46/14/396184614.db2.gz XWLKPWGVLORMNZ-RYUDHWBXSA-N 0 0 316.361 0.944 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)Nc3nncs3)CCO2)[nH]1 ZINC000178012520 396187906 /nfs/dbraw/zinc/18/79/06/396187906.db2.gz SLIBBNKCBUPYNG-ZETCQYMHSA-N 0 0 309.355 0.824 10 0 DCAERN CC(C)(C)n1cc(CN2CCN([C@@H]3CCNC3=O)CC2)cn1 ZINC000178199655 396191069 /nfs/dbraw/zinc/19/10/69/396191069.db2.gz ZZTVDNQNAPIMLH-CQSZACIVSA-N 0 0 305.426 0.644 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000075977090 396191160 /nfs/dbraw/zinc/19/11/60/396191160.db2.gz LSTHEVHMKPQIPK-AAEUAGOBSA-N 0 0 311.407 0.814 10 0 DCAERN O=C(NCCOc1ccc2c(c1)OCO2)[C@H]1CC(F)(F)CN1 ZINC000262964257 396194458 /nfs/dbraw/zinc/19/44/58/396194458.db2.gz KZIASBHHIOBUPX-SNVBAGLBSA-N 0 0 314.288 0.908 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)NCCCc1ccccn1 ZINC000178434361 396195644 /nfs/dbraw/zinc/19/56/44/396195644.db2.gz VIGKAYSZEJWDCF-UHFFFAOYSA-N 0 0 320.393 0.514 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000076099163 396196745 /nfs/dbraw/zinc/19/67/45/396196745.db2.gz VNKPKZIGCSNUQT-MFKMUULPSA-N 0 0 303.362 0.780 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000178565022 396199313 /nfs/dbraw/zinc/19/93/13/396199313.db2.gz FVJYODDVKFBHNZ-LLVKDONJSA-N 0 0 300.318 0.266 10 0 DCAERN CN(C(=O)CNC(=O)[C@@H]1CC(F)(F)CN1)C1CCCCC1 ZINC000263075040 396200858 /nfs/dbraw/zinc/20/08/58/396200858.db2.gz WYAFKRSGIDLYEF-NSHDSACASA-N 0 0 303.353 0.891 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000076358131 396202048 /nfs/dbraw/zinc/20/20/48/396202048.db2.gz YKJBDPCTIRUDPM-AOOOYVTPSA-N 0 0 304.354 0.425 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000180932258 396235112 /nfs/dbraw/zinc/23/51/12/396235112.db2.gz CLZDPPMHRLYFFN-WDEREUQCSA-N 0 0 300.384 0.841 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281802098 396241145 /nfs/dbraw/zinc/24/11/45/396241145.db2.gz CRDKMYRAIVKVCG-WCQYABFASA-N 0 0 301.339 0.662 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181741035 396241207 /nfs/dbraw/zinc/24/12/07/396241207.db2.gz NBYXFFOJEJSDOK-VXGBXAGGSA-N 0 0 323.359 0.538 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCCn1cccn1 ZINC000181944869 396244255 /nfs/dbraw/zinc/24/42/55/396244255.db2.gz UMCKLNXDWTVLBC-UHFFFAOYSA-N 0 0 314.349 0.994 10 0 DCAERN O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCC1 ZINC000078507817 396246996 /nfs/dbraw/zinc/24/69/96/396246996.db2.gz UDMOFWDGUZPCCQ-UHFFFAOYSA-N 0 0 316.404 0.615 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000182460358 396250536 /nfs/dbraw/zinc/25/05/36/396250536.db2.gz DNKJUVXLNQSDDR-ZDUSSCGKSA-N 0 0 318.385 0.382 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)[C@@H](O)Cc1ccccc1 ZINC000182474185 396250580 /nfs/dbraw/zinc/25/05/80/396250580.db2.gz WDAXDRGLZSNZBF-HIFRSBDPSA-N 0 0 317.393 0.960 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccc(N2CCCC2)nn1 ZINC000182938678 396257503 /nfs/dbraw/zinc/25/75/03/396257503.db2.gz QWQYTUDYCVFBPR-UHFFFAOYSA-N 0 0 301.354 0.488 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cn(Cc2cccnc2)nn1 ZINC000182996113 396258241 /nfs/dbraw/zinc/25/82/41/396258241.db2.gz KDWFTUMYFROZSX-TZMCWYRMSA-N 0 0 314.393 0.807 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000182983866 396258425 /nfs/dbraw/zinc/25/84/25/396258425.db2.gz VFQNVECCCASXNM-UHFFFAOYSA-N 0 0 301.306 0.958 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000079048953 396260043 /nfs/dbraw/zinc/26/00/43/396260043.db2.gz DOEBJLQPGJAZDI-WDEREUQCSA-N 0 0 318.381 0.457 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282071061 396260580 /nfs/dbraw/zinc/26/05/80/396260580.db2.gz ZAYGXRIHPYSZQI-GHMZBOCLSA-N 0 0 320.397 0.548 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000264219921 396262889 /nfs/dbraw/zinc/26/28/89/396262889.db2.gz UFWZIFFIGBYWAJ-LLVKDONJSA-N 0 0 303.318 0.368 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC(=O)N1C ZINC000282139736 396266881 /nfs/dbraw/zinc/26/68/81/396266881.db2.gz IAKXXVSSOJYATM-QWRGUYRKSA-N 0 0 306.366 0.227 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N(CCO)C1CC1 ZINC000079548451 396267035 /nfs/dbraw/zinc/26/70/35/396267035.db2.gz FJDFAVTXNQVOII-GFCCVEGCSA-N 0 0 305.382 0.612 10 0 DCAERN Cc1nccc(N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000183806569 396275195 /nfs/dbraw/zinc/27/51/95/396275195.db2.gz ITTCIRZBRAYRRS-UHFFFAOYSA-N 0 0 302.386 0.675 10 0 DCAERN O=C(NC[C@H]1CCCN1c1cccnn1)[C@H]1CC(F)(F)CN1 ZINC000263313960 396213767 /nfs/dbraw/zinc/21/37/67/396213767.db2.gz ZEKGYPMVBALXOP-GHMZBOCLSA-N 0 0 311.336 0.559 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000179426010 396226878 /nfs/dbraw/zinc/22/68/78/396226878.db2.gz UCGNOVODBWLZPM-AWEZNQCLSA-N 0 0 317.393 0.526 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCCn1cccn1 ZINC000184007231 396280935 /nfs/dbraw/zinc/28/09/35/396280935.db2.gz FUVAPCYWTFZDNX-UHFFFAOYSA-N 0 0 306.326 0.615 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)[C@H](C)CO ZINC000180686917 396233632 /nfs/dbraw/zinc/23/36/32/396233632.db2.gz SXRKYBWRTWZIQX-GHMZBOCLSA-N 0 0 305.378 0.751 10 0 DCAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCCOC3)CC2)n1 ZINC000184986569 396313187 /nfs/dbraw/zinc/31/31/87/396313187.db2.gz CMBMTDGJNMWWMV-CYBMUJFWSA-N 0 0 305.382 0.796 10 0 DCAERN CC(C)[C@@H](C(=O)NCCCn1ccnn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000184992100 396313329 /nfs/dbraw/zinc/31/33/29/396313329.db2.gz JDECUTOQVUNJFJ-ZNMIVQPWSA-N 0 0 323.441 0.918 10 0 DCAERN OC[C@H]1C[C@H](O)CN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180700 396320833 /nfs/dbraw/zinc/32/08/33/396320833.db2.gz PIEYSBGULZELSK-ZJUUUORDSA-N 0 0 311.288 0.942 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000185077002 396316626 /nfs/dbraw/zinc/31/66/26/396316626.db2.gz GXEYWEYTGAZWJA-LLVKDONJSA-N 0 0 311.407 0.374 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183229 396321009 /nfs/dbraw/zinc/32/10/09/396321009.db2.gz AILAUZVSZUHMEY-NXEZZACHSA-N 0 0 323.374 0.769 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000185093917 396317783 /nfs/dbraw/zinc/31/77/83/396317783.db2.gz RUBSMOIGGKTIII-HNNXBMFYSA-N 0 0 322.405 0.490 10 0 DCAERN Cc1ccccc1Cc1noc(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000185145870 396319248 /nfs/dbraw/zinc/31/92/48/396319248.db2.gz CZRPQLAYFZQXCM-KGLIPLIRSA-N 0 0 303.362 0.896 10 0 DCAERN CC(C)(CNC(=O)Nc1nncs1)N1CCS(=O)CC1 ZINC000080769938 396285792 /nfs/dbraw/zinc/28/57/92/396285792.db2.gz ANLPONITVONLAV-UHFFFAOYSA-N 0 0 317.440 0.503 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000080772783 396286291 /nfs/dbraw/zinc/28/62/91/396286291.db2.gz RCAVKZNLJJWDTH-NSHDSACASA-N 0 0 303.366 0.318 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccncc2F)C1 ZINC000184204839 396287619 /nfs/dbraw/zinc/28/76/19/396287619.db2.gz SXXGVWFECUKGKA-QMMMGPOBSA-N 0 0 302.331 0.376 10 0 DCAERN O=C(COc1cccc(N2CCCC2=O)c1)N1CC(CO)C1 ZINC000184219275 396288152 /nfs/dbraw/zinc/28/81/52/396288152.db2.gz QTZWJGCHTFHLOY-UHFFFAOYSA-N 0 0 304.346 0.643 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000080969444 396290186 /nfs/dbraw/zinc/29/01/86/396290186.db2.gz VGYCRNJNYNXEAO-XQQFMLRXSA-N 0 0 312.435 0.965 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429739 396295128 /nfs/dbraw/zinc/29/51/28/396295128.db2.gz ZJKSAPHLJIXGRH-OCCSQVGLSA-N 0 0 304.456 0.718 10 0 DCAERN CCc1cnc(CCNC(=O)CCNS(C)(=O)=O)s1 ZINC000081204258 396295283 /nfs/dbraw/zinc/29/52/83/396295283.db2.gz UWWVLGXTXXSGDA-UHFFFAOYSA-N 0 0 305.425 0.304 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184473552 396296585 /nfs/dbraw/zinc/29/65/85/396296585.db2.gz OCJHIHLAVVOILG-HNNXBMFYSA-N 0 0 308.382 0.738 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)CCc2ccnn2C)c1CC ZINC000184546928 396298416 /nfs/dbraw/zinc/29/84/16/396298416.db2.gz RSOVYZIOBXXVML-UHFFFAOYSA-N 0 0 317.393 0.877 10 0 DCAERN Cc1cc(-c2nnc(N3CCS(=O)(=O)CC3)n2C)c(C)o1 ZINC000283036373 396300304 /nfs/dbraw/zinc/30/03/04/396300304.db2.gz DMWHYKUZJHFSMR-UHFFFAOYSA-N 0 0 310.379 0.927 10 0 DCAERN CC(C)C(=O)N1CCC(NS(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000184888151 396310137 /nfs/dbraw/zinc/31/01/37/396310137.db2.gz CRLCCKFWAYZDPM-GFCCVEGCSA-N 0 0 317.455 0.952 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(C)n2)CC1 ZINC000184910567 396310792 /nfs/dbraw/zinc/31/07/92/396310792.db2.gz CPCPPXQYMQDJJS-OAHLLOKOSA-N 0 0 306.410 0.988 10 0 DCAERN O=C(CN1CCO[C@@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192273 396321177 /nfs/dbraw/zinc/32/11/77/396321177.db2.gz FBWOOTAENVAIGW-KRWDZBQOSA-N 0 0 320.389 0.673 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCO[C@]2(CCOC2)C1 ZINC000185210174 396322017 /nfs/dbraw/zinc/32/20/17/396322017.db2.gz AXTFKIZVJXPQTG-QGZVFWFLSA-N 0 0 320.389 0.803 10 0 DCAERN Cc1ccc(CS(=O)(=O)CC(=O)N2CCOCC2)c(C)n1 ZINC000185232670 396322569 /nfs/dbraw/zinc/32/25/69/396322569.db2.gz MFTUZOMEJXRXGH-UHFFFAOYSA-N 0 0 312.391 0.472 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000185734824 396333889 /nfs/dbraw/zinc/33/38/89/396333889.db2.gz ISSQSOVLOHFGEP-WOPDTQHZSA-N 0 0 316.423 0.040 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000185956034 396337654 /nfs/dbraw/zinc/33/76/54/396337654.db2.gz YCMRZVOKMKSFDN-UHFFFAOYSA-N 0 0 319.409 0.961 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](O)C[C@H]3CO)CC2=O)cc1 ZINC000185940375 396337885 /nfs/dbraw/zinc/33/78/85/396337885.db2.gz KHJZFHQKWPYIHJ-QEJZJMRPSA-N 0 0 318.373 0.302 10 0 DCAERN O=C(c1cccc(-n2ccnn2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000186076544 396340475 /nfs/dbraw/zinc/34/04/75/396340475.db2.gz FJARDHOXQPRUEE-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN O=C1CCCc2cc(S(=O)(=O)N3CC(CO)C3)ccc2N1 ZINC000185754478 396334336 /nfs/dbraw/zinc/33/43/36/396334336.db2.gz KILFKGCCYUCUOU-UHFFFAOYSA-N 0 0 310.375 0.574 10 0 DCAERN CN(Cc1nnn(C)n1)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000284898694 396347440 /nfs/dbraw/zinc/34/74/40/396347440.db2.gz FURLEVOCMQRNNY-HOCLYGCPSA-N 0 0 316.409 0.714 10 0 DCAERN COc1ccc(F)cc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000186566195 396352784 /nfs/dbraw/zinc/35/27/84/396352784.db2.gz PBUOFLYDDSTUHI-CYBMUJFWSA-N 0 0 311.357 0.964 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186704778 396356089 /nfs/dbraw/zinc/35/60/89/396356089.db2.gz SVCNTZXQTONEKU-LLVKDONJSA-N 0 0 319.409 0.748 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1cc(C)cc(C)c1 ZINC000187034953 396362390 /nfs/dbraw/zinc/36/23/90/396362390.db2.gz SITNRHKOKWXLNE-JSGCOSHPSA-N 0 0 304.346 0.770 10 0 DCAERN O=C1N[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N2CCOC[C@H]12 ZINC000187066500 396362535 /nfs/dbraw/zinc/36/25/35/396362535.db2.gz KLRRTZZMMNRDJS-HUUCEWRRSA-N 0 0 316.336 0.900 10 0 DCAERN CC(F)(F)c1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000187321139 396367429 /nfs/dbraw/zinc/36/74/29/396367429.db2.gz KJCZYXLORJUELZ-UHFFFAOYSA-N 0 0 311.288 0.695 10 0 DCAERN Cn1cc(CCCNC(=O)c2cc3c(cn2)nc[nH]c3=O)cn1 ZINC000187439425 396369802 /nfs/dbraw/zinc/36/98/02/396369802.db2.gz QYISWCLCSYZFEQ-UHFFFAOYSA-N 0 0 312.333 0.414 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)NCc2ccnn2C)C1(C)C ZINC000187482746 396370584 /nfs/dbraw/zinc/37/05/84/396370584.db2.gz CIRKOYBXWXDFHF-DOMZBBRYSA-N 0 0 310.398 0.785 10 0 DCAERN CC(=O)NCCc1ccc(S(=O)(=O)N2CCCO2)s1 ZINC000186351988 396348894 /nfs/dbraw/zinc/34/88/94/396348894.db2.gz ZVLDRHXOOLNWBR-UHFFFAOYSA-N 0 0 304.393 0.753 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000188466658 396382558 /nfs/dbraw/zinc/38/25/58/396382558.db2.gz HOKHZHUGBKUYDU-CYBMUJFWSA-N 0 0 322.453 0.924 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)N1CC(NC(=O)C2CCC2)C1 ZINC000188508028 396383028 /nfs/dbraw/zinc/38/30/28/396383028.db2.gz YKEOHEZLWOPYTL-AWEZNQCLSA-N 0 0 310.394 0.699 10 0 DCAERN COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188666760 396384334 /nfs/dbraw/zinc/38/43/34/396384334.db2.gz XNXFARGUDAPVEF-MRCXROJRSA-N 0 0 324.352 0.993 10 0 DCAERN O=C(c1cccnc1N1CCCCC1)N1CCO[C@H](CO)C1 ZINC000269091334 396385183 /nfs/dbraw/zinc/38/51/83/396385183.db2.gz UCPAEEKIHUOSAI-ZDUSSCGKSA-N 0 0 305.378 0.905 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N3CCCNC(=O)[C@H]3C)nn2)cc1 ZINC000188856963 396388056 /nfs/dbraw/zinc/38/80/56/396388056.db2.gz GVVDBGGCTSJIMF-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000188860405 396388072 /nfs/dbraw/zinc/38/80/72/396388072.db2.gz CSMGHKRTVCVHTP-JTQLQIEISA-N 0 0 302.334 0.067 10 0 DCAERN CCS(=O)(=O)CC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189007578 396389829 /nfs/dbraw/zinc/38/98/29/396389829.db2.gz GBDMQIIIUTUGEP-UHFFFAOYSA-N 0 0 320.374 0.608 10 0 DCAERN COCCN1CCCN(C(=O)c2ncncc2Cl)CC1=O ZINC000189049814 396389865 /nfs/dbraw/zinc/38/98/65/396389865.db2.gz QPQKWRXZNNGESA-UHFFFAOYSA-N 0 0 312.757 0.451 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](CCO)C1CCCCC1 ZINC000189305408 396393471 /nfs/dbraw/zinc/39/34/71/396393471.db2.gz PIJRUPVXWSYKNF-QLFBSQMISA-N 0 0 312.410 0.416 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)c12 ZINC000286599036 396397055 /nfs/dbraw/zinc/39/70/55/396397055.db2.gz AQUJEWHKDFJRFM-SCZZXKLOSA-N 0 0 305.313 0.613 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CCCN(C)C(=O)C3)ccc21 ZINC000189791923 396399758 /nfs/dbraw/zinc/39/97/58/396399758.db2.gz GFFXITZTSYHRKM-UHFFFAOYSA-N 0 0 315.373 0.900 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1nc(-c2ccncc2)no1 ZINC000189972835 396401738 /nfs/dbraw/zinc/40/17/38/396401738.db2.gz QJHWUTAYEKFAEO-ONGXEEELSA-N 0 0 324.362 0.728 10 0 DCAERN Cn1cnn(CC(=O)N2CCC(Nc3nccs3)CC2)c1=O ZINC000190367882 396405815 /nfs/dbraw/zinc/40/58/15/396405815.db2.gz OWIUIBVELUXYRS-UHFFFAOYSA-N 0 0 322.394 0.141 10 0 DCAERN CCOc1ccc(S(=O)(=O)N(C)CC2CC(O)C2)cn1 ZINC000190621841 396408928 /nfs/dbraw/zinc/40/89/28/396408928.db2.gz BQCBHGHVUUPSQU-UHFFFAOYSA-N 0 0 300.380 0.872 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@@H]1CO ZINC000190603057 396408970 /nfs/dbraw/zinc/40/89/70/396408970.db2.gz QRXOYHGPHVBAQA-UMVBOHGHSA-N 0 0 321.425 0.801 10 0 DCAERN COc1cccc(CS(=O)(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000190980753 396413028 /nfs/dbraw/zinc/41/30/28/396413028.db2.gz LSXDDSQCRCIZLX-NSHDSACASA-N 0 0 312.391 0.735 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191040305 396414604 /nfs/dbraw/zinc/41/46/04/396414604.db2.gz RMWPWYFHVRUBNR-UHFFFAOYSA-N 0 0 307.354 0.093 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCN(C)C(=O)C1 ZINC000191090091 396415270 /nfs/dbraw/zinc/41/52/70/396415270.db2.gz MJSIXHBQLUNPBY-QWHCGFSZSA-N 0 0 324.425 0.555 10 0 DCAERN COc1ccccc1CCN(C)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193165349 396445173 /nfs/dbraw/zinc/44/51/73/396445173.db2.gz PDECYAGGOYRJPF-HUUCEWRRSA-N 0 0 320.389 0.678 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000191452735 396419758 /nfs/dbraw/zinc/41/97/58/396419758.db2.gz KPOJDXDXMMLIQV-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CC(=O)N(CC)C1 ZINC000191507490 396420896 /nfs/dbraw/zinc/42/08/96/396420896.db2.gz JQFZMLNBBOKXCD-UHFFFAOYSA-N 0 0 307.354 0.270 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000191641125 396422749 /nfs/dbraw/zinc/42/27/49/396422749.db2.gz LACQBABIDYGSGV-NSHDSACASA-N 0 0 316.361 0.600 10 0 DCAERN CCN1CN(C(=O)NCCc2nc3ccccc3[nH]2)CC1=O ZINC000191891319 396426598 /nfs/dbraw/zinc/42/65/98/396426598.db2.gz WQOZLATWEAMVFJ-UHFFFAOYSA-N 0 0 301.350 0.937 10 0 DCAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3ncccn3)CC2)C1 ZINC000192002316 396427861 /nfs/dbraw/zinc/42/78/61/396427861.db2.gz OBXSNOPYFWNIAY-MRXNPFEDSA-N 0 0 319.453 0.703 10 0 DCAERN COC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1C ZINC000192540148 396432525 /nfs/dbraw/zinc/43/25/25/396432525.db2.gz QIOCWSLSSJZZEG-CYBMUJFWSA-N 0 0 304.346 0.889 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCN(C)c1ccccc1 ZINC000193191760 396445951 /nfs/dbraw/zinc/44/59/51/396445951.db2.gz QNMYSBWOZMEMCM-HZPDHXFCSA-N 0 0 319.405 0.563 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000193001214 396441894 /nfs/dbraw/zinc/44/18/94/396441894.db2.gz RFYXDGHMIAQXPV-SECBINFHSA-N 0 0 324.406 0.771 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cncn1 ZINC000188080690 396378495 /nfs/dbraw/zinc/37/84/95/396378495.db2.gz GMQONMKZITXIRR-LLVKDONJSA-N 0 0 315.381 0.788 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NCCCN1CCOCC1 ZINC000188147247 396379641 /nfs/dbraw/zinc/37/96/41/396379641.db2.gz PPKCQSLMPYXBQW-CQSZACIVSA-N 0 0 301.431 0.757 10 0 DCAERN Cn1nc2c(cc1=O)CN(C(=O)NC[C@H]1CCC(C)(C)O1)CC2 ZINC000188212134 396380489 /nfs/dbraw/zinc/38/04/89/396380489.db2.gz FSQLHKBQKXNDGP-GFCCVEGCSA-N 0 0 320.393 0.806 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000193506718 396452557 /nfs/dbraw/zinc/45/25/57/396452557.db2.gz INACIAJZWFDRAF-UHFFFAOYSA-N 0 0 310.379 0.552 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2nc(C(C)C)cs2)CC1=O ZINC000193525388 396453102 /nfs/dbraw/zinc/45/31/02/396453102.db2.gz DNBUFMJVSQIYJJ-UHFFFAOYSA-N 0 0 310.379 0.853 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CN(C)CCN2C)sc2nccn12 ZINC000269884948 396453255 /nfs/dbraw/zinc/45/32/55/396453255.db2.gz KBJYLTMHPQEBOQ-NSHDSACASA-N 0 0 307.423 0.680 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000371815343 396477713 /nfs/dbraw/zinc/47/77/13/396477713.db2.gz HZNMNCWBXIQTNQ-KRWDZBQOSA-N 0 0 315.417 0.588 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC(c2nccc(C)n2)CC1 ZINC000371828921 396477874 /nfs/dbraw/zinc/47/78/74/396477874.db2.gz OAIJOAAKMGBDKW-UHFFFAOYSA-N 0 0 320.393 0.644 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@H]3O)C2)cn1 ZINC000371839013 396478433 /nfs/dbraw/zinc/47/84/33/396478433.db2.gz PCMNPCYQEGVXPB-KCQAQPDRSA-N 0 0 321.425 0.849 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000580111046 396488177 /nfs/dbraw/zinc/48/81/77/396488177.db2.gz OEJIKDWKGFMIFG-WCQYABFASA-N 0 0 308.382 0.764 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000372115656 396489744 /nfs/dbraw/zinc/48/97/44/396489744.db2.gz FRPAVZNGQNQHTL-JQWIXIFHSA-N 0 0 321.381 0.272 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372983130 396558909 /nfs/dbraw/zinc/55/89/09/396558909.db2.gz QTLOCMZLEMMFFH-WOPDTQHZSA-N 0 0 304.412 0.327 10 0 DCAERN CC[C@H]1CCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000292694149 396563651 /nfs/dbraw/zinc/56/36/51/396563651.db2.gz QHNKYPFSRJUZME-STQMWFEESA-N 0 0 319.409 0.943 10 0 DCAERN COC1(C(=O)N2CCC(CNS(C)(=O)=O)CC2)CCCC1 ZINC000581624668 396570374 /nfs/dbraw/zinc/57/03/74/396570374.db2.gz UAPKVTMTNHUMKC-UHFFFAOYSA-N 0 0 318.439 0.733 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)nc1 ZINC000373373116 396586938 /nfs/dbraw/zinc/58/69/38/396586938.db2.gz NLNQMOWHXGXENM-UHFFFAOYSA-N 0 0 315.304 0.663 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000531013532 396587179 /nfs/dbraw/zinc/58/71/79/396587179.db2.gz BBQIVOZZYQJOKQ-FTGAXOIBSA-N 0 0 308.382 0.662 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000374190613 396645315 /nfs/dbraw/zinc/64/53/15/396645315.db2.gz TUVZRHHGVGCTSY-SEBNEYGDSA-N 0 0 320.437 0.874 10 0 DCAERN C[C@H](OCC1CC1)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733389 396651232 /nfs/dbraw/zinc/65/12/32/396651232.db2.gz KJAHVWJOMVIPKA-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2n[nH]nc2c1 ZINC000585735957 396651844 /nfs/dbraw/zinc/65/18/44/396651844.db2.gz MNTNYXIPZDWNDW-UHFFFAOYSA-N 0 0 323.378 0.113 10 0 DCAERN CC(=O)CCC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000294120209 396654882 /nfs/dbraw/zinc/65/48/82/396654882.db2.gz SFOFJLWFHGLGCG-WFASDCNBSA-N 0 0 307.346 0.965 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2c[nH]cn2)C[C@@]2(CCOC2)O1 ZINC000373680274 396607388 /nfs/dbraw/zinc/60/73/88/396607388.db2.gz IZIHLHXPEIWNOO-GFCCVEGCSA-N 0 0 301.368 0.368 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCC(Cn2ccnn2)CC1 ZINC000533579190 396607521 /nfs/dbraw/zinc/60/75/21/396607521.db2.gz SOSXHOLWHNFOSD-UHFFFAOYSA-N 0 0 311.349 0.873 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](CO)c1ccccc1)S(C)(=O)=O ZINC000533640932 396608722 /nfs/dbraw/zinc/60/87/22/396608722.db2.gz HWVXPBPKERMBJE-DGCLKSJQSA-N 0 0 314.407 0.495 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000293547166 396616702 /nfs/dbraw/zinc/61/67/02/396616702.db2.gz QXQDRHOZCBWZPN-UHFFFAOYSA-N 0 0 301.346 0.734 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N2CCCCC2=O)C1 ZINC000373833498 396616758 /nfs/dbraw/zinc/61/67/58/396616758.db2.gz UXWWVDZVGIWGHM-BLLLJJGKSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1cccnc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000585821067 396661547 /nfs/dbraw/zinc/66/15/47/396661547.db2.gz VSONQPFSAORSDI-UHFFFAOYSA-N 0 0 312.395 0.937 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@@H]2CCCCS2(=O)=O)C1=O ZINC000562403369 396661630 /nfs/dbraw/zinc/66/16/30/396661630.db2.gz HYCNATFNWHOZRM-ZNRGBCAMSA-N 0 0 300.380 0.840 10 0 DCAERN C[C@@H]1CCCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000587125707 396671198 /nfs/dbraw/zinc/67/11/98/396671198.db2.gz ZQCCAVKWHBZAML-GFCCVEGCSA-N 0 0 303.428 0.854 10 0 DCAERN COCC[C@H](C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000587119630 396671284 /nfs/dbraw/zinc/67/12/84/396671284.db2.gz XCIRYFLHENWODX-NSHDSACASA-N 0 0 307.416 0.136 10 0 DCAERN COc1cccc(C(=O)NCCCCS(N)(=O)=O)c1F ZINC000294392048 396671504 /nfs/dbraw/zinc/67/15/04/396671504.db2.gz MSFYTOBXIOPSHF-UHFFFAOYSA-N 0 0 304.343 0.633 10 0 DCAERN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NCCCC1CC1)CC2 ZINC000588136155 396680115 /nfs/dbraw/zinc/68/01/15/396680115.db2.gz QQNLHHLLCQTLBT-CYBMUJFWSA-N 0 0 319.409 0.572 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000374693307 396680869 /nfs/dbraw/zinc/68/08/69/396680869.db2.gz WGJWSKLWUFKXOC-KWCYVHTRSA-N 0 0 321.377 0.487 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(Cn2cncn2)CC1 ZINC000375307965 396726240 /nfs/dbraw/zinc/72/62/40/396726240.db2.gz XDLSOROIBLSENC-LBPRGKRZSA-N 0 0 313.427 0.719 10 0 DCAERN COc1ccc2c(c1)OCCN(C(=O)CN1CCOCC1=O)C2 ZINC000374813304 396689040 /nfs/dbraw/zinc/68/90/40/396689040.db2.gz ZOAORINFEHIZOR-UHFFFAOYSA-N 0 0 320.345 0.275 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCN4CCOC[C@@H]4C3)cc12 ZINC000374959508 396700566 /nfs/dbraw/zinc/70/05/66/396700566.db2.gz DJJBEOWQWAMFLU-LBPRGKRZSA-N 0 0 301.350 0.423 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000375000010 396703202 /nfs/dbraw/zinc/70/32/02/396703202.db2.gz UMZQZLJQLYLCPH-GFCCVEGCSA-N 0 0 301.350 0.978 10 0 DCAERN CS(=O)(=O)N1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302209085 396718122 /nfs/dbraw/zinc/71/81/22/396718122.db2.gz LPJANNBSRDXUMA-UHFFFAOYSA-N 0 0 322.394 0.083 10 0 DCAERN CN1CC[C@H](NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000375603850 396778926 /nfs/dbraw/zinc/77/89/26/396778926.db2.gz SAUFYOMOYWVHKD-QWRGUYRKSA-N 0 0 319.365 0.677 10 0 DCAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)S(=O)(=O)C2CC2)o1 ZINC000375629842 396784806 /nfs/dbraw/zinc/78/48/06/396784806.db2.gz KAIZNKJQYJEBNO-UWVGGRQHSA-N 0 0 318.374 0.719 10 0 DCAERN Cc1noc(CCNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000625192232 396798737 /nfs/dbraw/zinc/79/87/37/396798737.db2.gz AVFARVQMYNRVGH-LBPRGKRZSA-N 0 0 306.366 0.685 10 0 DCAERN CCc1nn(C)cc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000563491013 396742589 /nfs/dbraw/zinc/74/25/89/396742589.db2.gz QLHPQNLPRCFWNQ-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN C[C@@H](c1nnnn1C1CCCCC1)N1CCC[C@](O)(C(N)=O)C1 ZINC000375479035 396754869 /nfs/dbraw/zinc/75/48/69/396754869.db2.gz WWHFKRWBXLFNLX-XHDPSFHLSA-N 0 0 322.413 0.552 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(Cc2nnnn2Cc2ccccc2)C1 ZINC000309875088 396759625 /nfs/dbraw/zinc/75/96/25/396759625.db2.gz SVSRXHGRFKCPOF-UONOGXRCSA-N 0 0 303.366 0.303 10 0 DCAERN CCOC(=O)c1csc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)n1 ZINC000596432967 396774808 /nfs/dbraw/zinc/77/48/08/396774808.db2.gz MJTCQFRQQBDSRL-BDAKNGLRSA-N 0 0 320.392 0.544 10 0 DCAERN O=C(Cc1ccoc1)N1CCN(c2cncc3ncnn32)CC1 ZINC000328625680 396824312 /nfs/dbraw/zinc/82/43/12/396824312.db2.gz DKLYBWNPQJMNBQ-UHFFFAOYSA-N 0 0 312.333 0.609 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cnc(C)s1 ZINC000590704683 396826481 /nfs/dbraw/zinc/82/64/81/396826481.db2.gz JVMHRRUOWIPCLH-GFCCVEGCSA-N 0 0 324.406 0.195 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1 ZINC000328639757 396829394 /nfs/dbraw/zinc/82/93/94/396829394.db2.gz XBYOFKCPQZLLNU-QWHCGFSZSA-N 0 0 313.423 0.934 10 0 DCAERN COC(=O)C1CCC(NC(=O)N2CC[C@@H](NC(N)=O)C2)CC1 ZINC000611196666 396832656 /nfs/dbraw/zinc/83/26/56/396832656.db2.gz GFQKUAGBPAYTPJ-VQXHTEKXSA-N 0 0 312.370 0.170 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000329106580 396839000 /nfs/dbraw/zinc/83/90/00/396839000.db2.gz DKYJNAWRIBTZPC-RYUDHWBXSA-N 0 0 306.366 0.913 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C2CC2)cn1C ZINC000590794437 396842894 /nfs/dbraw/zinc/84/28/94/396842894.db2.gz AMNUNFVPIIRNMA-LBPRGKRZSA-N 0 0 311.407 0.948 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(S(=O)(=O)[C@H]1CCCOC1)CCO2 ZINC000330117913 396854215 /nfs/dbraw/zinc/85/42/15/396854215.db2.gz XRECWTDHRUXRDA-RWMBFGLXSA-N 0 0 305.396 0.375 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)ccn1 ZINC000376126701 396879425 /nfs/dbraw/zinc/87/94/25/396879425.db2.gz GIVNHFOMYZYKCE-LLVKDONJSA-N 0 0 321.362 0.429 10 0 DCAERN CC(=O)NCCN(C[C@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576317 396889032 /nfs/dbraw/zinc/88/90/32/396889032.db2.gz PEACPYSXGGBBHV-NWDGAFQWSA-N 0 0 302.415 0.783 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(C(=O)OC)no2)C1 ZINC000611587998 396891865 /nfs/dbraw/zinc/89/18/65/396891865.db2.gz SJURQPAJYOHJGO-SECBINFHSA-N 0 0 309.322 0.592 10 0 DCAERN COC(=O)[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000611614282 396894608 /nfs/dbraw/zinc/89/46/08/396894608.db2.gz FKYIOSWYGWWAPY-ZWKOPEQDSA-N 0 0 306.366 0.455 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000332999053 396914604 /nfs/dbraw/zinc/91/46/04/396914604.db2.gz RGCCUQUZCDGNAU-NDBYEHHHSA-N 0 0 316.423 0.915 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376344180 396915343 /nfs/dbraw/zinc/91/53/43/396915343.db2.gz ONNVMLAPFYIGTG-STQMWFEESA-N 0 0 315.439 0.660 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@@](F)(CO)C1)CS2 ZINC000376409259 396923872 /nfs/dbraw/zinc/92/38/72/396923872.db2.gz RISKLBIJMGHVJH-SWHYSGLUSA-N 0 0 316.398 0.763 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569876618 396921052 /nfs/dbraw/zinc/92/10/52/396921052.db2.gz RAEFDRZVVOUUTA-MWLCHTKSSA-N 0 0 322.390 0.501 10 0 DCAERN NC(=O)c1ccc(OCC(=O)N2CCC[C@](F)(CO)C2)cc1 ZINC000376498645 396938258 /nfs/dbraw/zinc/93/82/58/396938258.db2.gz YKMRVROPWNEQCZ-OAHLLOKOSA-N 0 0 310.325 0.487 10 0 DCAERN CCOC(=O)CSc1cncc(NCc2cn(C)nn2)n1 ZINC000611930400 396950084 /nfs/dbraw/zinc/95/00/84/396950084.db2.gz ANYYTKCIOMXOME-UHFFFAOYSA-N 0 0 308.367 0.872 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000376595873 396951084 /nfs/dbraw/zinc/95/10/84/396951084.db2.gz RSOAEBFRQPYNGA-JTQLQIEISA-N 0 0 306.318 0.991 10 0 DCAERN OC[C@H]1CN(c2ccnc(N3CCOCC3)n2)CCC1(F)F ZINC000571701995 396980868 /nfs/dbraw/zinc/98/08/68/396980868.db2.gz TUYYAUARYXQMGC-LLVKDONJSA-N 0 0 314.336 0.767 10 0 DCAERN O=C(NC1CC(O)(Cc2cccc(F)c2)C1)[C@H]1CNC(=O)C1 ZINC000376898062 396994577 /nfs/dbraw/zinc/99/45/77/396994577.db2.gz UWJQTLJWQOPCCV-FFKNIBCLSA-N 0 0 306.337 0.514 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1cnn(C)c1 ZINC000625775165 397001983 /nfs/dbraw/zinc/00/19/83/397001983.db2.gz MYUMCNZWOACVMA-UHFFFAOYSA-N 0 0 323.397 0.192 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cscn2)[C@H](C)C1 ZINC000612137337 397006010 /nfs/dbraw/zinc/00/60/10/397006010.db2.gz MNYNYWJLOUVSLH-NXEZZACHSA-N 0 0 324.406 0.400 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)O1 ZINC000618676421 397010180 /nfs/dbraw/zinc/01/01/80/397010180.db2.gz PGTDVFPZNJUZBF-IRCOFANPSA-N 0 0 304.412 0.292 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCN1S(C)(=O)=O ZINC000618680209 397011794 /nfs/dbraw/zinc/01/17/94/397011794.db2.gz QEGMDNQZADGYHM-BXUZGUMPSA-N 0 0 324.402 0.482 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(F)F ZINC000618753523 397023094 /nfs/dbraw/zinc/02/30/94/397023094.db2.gz XUBLQUGLWZQPKC-DTWKUNHWSA-N 0 0 308.325 0.994 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000377116158 397031548 /nfs/dbraw/zinc/03/15/48/397031548.db2.gz UROUVRYLHOMNLV-MLGOLLRUSA-N 0 0 309.410 0.668 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000630495036 397032265 /nfs/dbraw/zinc/03/22/65/397032265.db2.gz UDUMZKXJDNBCFI-HUUCEWRRSA-N 0 0 309.410 0.321 10 0 DCAERN O=C(CN1CCC[C@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295737 397063172 /nfs/dbraw/zinc/06/31/72/397063172.db2.gz BDKFASNTFHGEJT-MRXNPFEDSA-N 0 0 322.409 0.499 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CC(CC(N)=O)C3)cnc2n1 ZINC000572575154 397072962 /nfs/dbraw/zinc/07/29/62/397072962.db2.gz XHXBYQJGSHHEMH-UHFFFAOYSA-N 0 0 300.318 0.591 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCn3cc(C)nc3C2)[C@H](C)C1 ZINC000626138518 397088515 /nfs/dbraw/zinc/08/85/15/397088515.db2.gz YXBRTHJHBHUKQU-OCCSQVGLSA-N 0 0 304.394 0.833 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)(CC1)C2 ZINC000619143918 397090492 /nfs/dbraw/zinc/09/04/92/397090492.db2.gz KHZASFKTPJYPBE-KLAILNCOSA-N 0 0 320.389 0.849 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000572750255 397092484 /nfs/dbraw/zinc/09/24/84/397092484.db2.gz UKGFVNATWJYWLQ-PWSUYJOCSA-N 0 0 307.394 0.609 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000351554610 397127196 /nfs/dbraw/zinc/12/71/96/397127196.db2.gz DORCXYUOPFMRKW-YVECIDJPSA-N 0 0 308.378 0.797 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000619505727 397141864 /nfs/dbraw/zinc/14/18/64/397141864.db2.gz NEYUXXCHWYQQPH-GCHJQGSQSA-N 0 0 303.380 0.282 10 0 DCAERN CC(=O)N[C@](C)(C(=O)N(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000619530980 397145467 /nfs/dbraw/zinc/14/54/67/397145467.db2.gz VJUQHQGQGNJCTN-AWEZNQCLSA-N 0 0 323.374 0.381 10 0 DCAERN c1nc2n(n1)[C@H](CSc1nnnn1C[C@H]1CCCO1)CC2 ZINC000631006398 397155682 /nfs/dbraw/zinc/15/56/82/397155682.db2.gz ASUXFZRTISUTKB-VHSXEESVSA-N 0 0 307.383 0.723 10 0 DCAERN c1nc2n(n1)[C@H](CSc1nnnn1C[C@@H]1CCCO1)CC2 ZINC000631006397 397155935 /nfs/dbraw/zinc/15/59/35/397155935.db2.gz ASUXFZRTISUTKB-UWVGGRQHSA-N 0 0 307.383 0.723 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000630859032 397119917 /nfs/dbraw/zinc/11/99/17/397119917.db2.gz WJYUKTVUWMSJPV-GFCCVEGCSA-N 0 0 303.353 0.843 10 0 DCAERN CCN1CC[C@H](NC(=O)c2ccc(C(=O)OC)cc2F)C1=O ZINC000619802311 397195001 /nfs/dbraw/zinc/19/50/01/397195001.db2.gz YNMCQOLTVKQUEL-LBPRGKRZSA-N 0 0 308.309 0.963 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1 ZINC000364428176 397201638 /nfs/dbraw/zinc/20/16/38/397201638.db2.gz VXRHLKHVBHMMDI-UHFFFAOYSA-N 0 0 306.347 0.726 10 0 DCAERN CCn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000573744427 397201776 /nfs/dbraw/zinc/20/17/76/397201776.db2.gz FQLQAYVWUPCDCS-AWEZNQCLSA-N 0 0 314.393 0.881 10 0 DCAERN COC(=O)c1ccc(C(=O)NC2(CCO)CCOCC2)cn1 ZINC000613241399 397225441 /nfs/dbraw/zinc/22/54/41/397225441.db2.gz VZMYBFRMZGWQRO-UHFFFAOYSA-N 0 0 308.334 0.530 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3C[C@H](F)C[C@@H]3CO)cc2C1=O ZINC000364618672 397228226 /nfs/dbraw/zinc/22/82/26/397228226.db2.gz YXKHERDPKFAQNY-NXEZZACHSA-N 0 0 306.293 0.457 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)O1 ZINC000385104943 397283937 /nfs/dbraw/zinc/28/39/37/397283937.db2.gz IGYSFFNTVSGIEO-NQMVMOMDSA-N 0 0 318.420 0.620 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000385602349 397283948 /nfs/dbraw/zinc/28/39/48/397283948.db2.gz DALKINCMXUJYMN-WPRPVWTQSA-N 0 0 307.803 0.855 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)C(F)(F)F ZINC000393893128 397307122 /nfs/dbraw/zinc/30/71/22/397307122.db2.gz UCXNMKBFFFPPIV-UHFFFAOYSA-N 0 0 313.301 0.743 10 0 DCAERN CC1(C)C[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)CO1 ZINC000396504890 397311060 /nfs/dbraw/zinc/31/10/60/397311060.db2.gz LWSIYDKWDCWZED-QMMMGPOBSA-N 0 0 318.420 0.622 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCC1(F)F ZINC000398032121 397313638 /nfs/dbraw/zinc/31/36/38/397313638.db2.gz LTRYRQVFVVIYOF-MRVPVSSYSA-N 0 0 300.327 0.504 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000365249387 397253404 /nfs/dbraw/zinc/25/34/04/397253404.db2.gz WXVMZPMBORCCFN-YWDSYVAPSA-N 0 0 323.393 0.542 10 0 DCAERN Cc1cscc1CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000365937254 397336331 /nfs/dbraw/zinc/33/63/31/397336331.db2.gz PVPMJPRAIIBPPK-CQSZACIVSA-N 0 0 322.390 0.892 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000407958043 397336929 /nfs/dbraw/zinc/33/69/29/397336929.db2.gz OXCAWBDVRWSPPH-VXGBXAGGSA-N 0 0 302.334 0.528 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407960248 397337938 /nfs/dbraw/zinc/33/79/38/397337938.db2.gz ZDWZLRJESVXPJZ-ZDUSSCGKSA-N 0 0 307.394 0.467 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000407962697 397338871 /nfs/dbraw/zinc/33/88/71/397338871.db2.gz NRUGLVBZODHOGD-XQQFMLRXSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CC(=O)N1C ZINC000407968549 397340604 /nfs/dbraw/zinc/34/06/04/397340604.db2.gz GKUQSTNTHRXKFM-NSHDSACASA-N 0 0 316.423 0.423 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407970376 397341540 /nfs/dbraw/zinc/34/15/40/397341540.db2.gz ZMSQJIWNUCWMAP-CYBMUJFWSA-N 0 0 321.421 0.858 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000408266428 397351630 /nfs/dbraw/zinc/35/16/30/397351630.db2.gz PKUZDMBONFTHDF-NSHDSACASA-N 0 0 306.428 0.541 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000408272863 397352045 /nfs/dbraw/zinc/35/20/45/397352045.db2.gz KFYSHBHNRFWJAV-SKENRDBWSA-N 0 0 308.378 0.701 10 0 DCAERN O[C@H]1COCC[C@@H]1Nc1ncc(I)cn1 ZINC000599175131 397353763 /nfs/dbraw/zinc/35/37/63/397353763.db2.gz AAXQIBZFDRTXKR-YUMQZZPRSA-N 0 0 321.118 0.643 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000621432109 397386057 /nfs/dbraw/zinc/38/60/57/397386057.db2.gz HGLMOHUHGNKZDR-LLVKDONJSA-N 0 0 315.337 0.405 10 0 DCAERN CC1(C)CS(=O)(=O)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000577897649 397370525 /nfs/dbraw/zinc/37/05/25/397370525.db2.gz PUANLAWKYFGGHM-QWHCGFSZSA-N 0 0 321.439 0.052 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)C1 ZINC000621315444 397372353 /nfs/dbraw/zinc/37/23/53/397372353.db2.gz JBOYJHIZYAAQNE-GHMZBOCLSA-N 0 0 310.366 0.962 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)NCCOCC1CCC1 ZINC000577360517 397324356 /nfs/dbraw/zinc/32/43/56/397324356.db2.gz JGRYETUGWRSNHG-UHFFFAOYSA-N 0 0 312.370 0.044 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CC[C@H]3OCCN[C@H]3C2)s1 ZINC000404110149 397327382 /nfs/dbraw/zinc/32/73/82/397327382.db2.gz DFQMCRXUZDYERF-VHSXEESVSA-N 0 0 303.409 0.203 10 0 DCAERN Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2nnnn2C)on1 ZINC000578380922 397430373 /nfs/dbraw/zinc/43/03/73/397430373.db2.gz UVMBAJIQUKGNLS-QWRGUYRKSA-N 0 0 309.349 0.555 10 0 DCAERN COC(=O)C1CCN(C(=O)CN2CCO[C@H](C3CC3)C2)CC1 ZINC000614408615 397432963 /nfs/dbraw/zinc/43/29/63/397432963.db2.gz SBZDBJZVAGFAIW-AWEZNQCLSA-N 0 0 310.394 0.509 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369143986 397434381 /nfs/dbraw/zinc/43/43/81/397434381.db2.gz NGLZHEHYFNLILF-UONOGXRCSA-N 0 0 310.394 0.510 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccn(C(C)C)n1 ZINC000487101466 397467005 /nfs/dbraw/zinc/46/70/05/397467005.db2.gz GYHBUZZOKMVSEV-GHMZBOCLSA-N 0 0 324.381 0.650 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000614588886 397476545 /nfs/dbraw/zinc/47/65/45/397476545.db2.gz LRSCJQSLOYGGEB-YDHLFZDLSA-N 0 0 301.383 0.570 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC(c2nccc(C)n2)CC1 ZINC000370373215 397476735 /nfs/dbraw/zinc/47/67/35/397476735.db2.gz BWRNAILWUPUADL-UHFFFAOYSA-N 0 0 305.382 0.810 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cc(C)on1 ZINC000488289494 397488823 /nfs/dbraw/zinc/48/88/23/397488823.db2.gz UEBIWHAYBKIDIT-ZJUUUORDSA-N 0 0 311.338 0.098 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnc(C)nc1 ZINC000488293220 397489019 /nfs/dbraw/zinc/48/90/19/397489019.db2.gz JIOXBZNSCMKRHE-BDAKNGLRSA-N 0 0 323.353 0.363 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1=O ZINC000370506881 397496106 /nfs/dbraw/zinc/49/61/06/397496106.db2.gz FDTLTUJPQUWJHA-LBPRGKRZSA-N 0 0 316.361 0.078 10 0 DCAERN CC(=O)N1CCN(C(=O)CNc2ccc3c(c2)CCC3=O)CC1 ZINC000578963821 397506053 /nfs/dbraw/zinc/50/60/53/397506053.db2.gz BKAOBEPLTXEFKT-UHFFFAOYSA-N 0 0 315.373 0.918 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000371264729 397564485 /nfs/dbraw/zinc/56/44/85/397564485.db2.gz QJUUAFDPGVMWIN-ZDUSSCGKSA-N 0 0 304.394 0.894 10 0 DCAERN COCCOc1cncc(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000579143548 397529800 /nfs/dbraw/zinc/52/98/00/397529800.db2.gz OVPBEYJUFZTNPB-MRXNPFEDSA-N 0 0 322.361 0.738 10 0 DCAERN O=C(COC1CCOCC1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000604975547 397657447 /nfs/dbraw/zinc/65/74/47/397657447.db2.gz FWPPVRVLISBBMO-SNVBAGLBSA-N 0 0 310.316 0.935 10 0 DCAERN O=c1n(CCCNS(=O)(=O)CC2CC2)nc2n1CCCC2 ZINC000603824037 397622502 /nfs/dbraw/zinc/62/25/02/397622502.db2.gz QVTFWGCQGXUPNP-UHFFFAOYSA-N 0 0 314.411 0.101 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)Nc1ccc2nccn2c1 ZINC000603883890 397625341 /nfs/dbraw/zinc/62/53/41/397625341.db2.gz HVVUNZQVWYCLSB-UHFFFAOYSA-N 0 0 302.334 0.912 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063693 397659712 /nfs/dbraw/zinc/65/97/12/397659712.db2.gz RUOUGQFOWZFDCW-MWLCHTKSSA-N 0 0 301.346 0.683 10 0 DCAERN CCCCn1nnnc1CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422839 397664854 /nfs/dbraw/zinc/66/48/54/397664854.db2.gz XSFLIPBFJKRKQS-UHFFFAOYSA-N 0 0 319.417 0.218 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000607084703 397695079 /nfs/dbraw/zinc/69/50/79/397695079.db2.gz LODCCSJEGJUWNJ-CHWSQXEVSA-N 0 0 313.423 0.972 10 0 DCAERN Cn1cc(NC(=O)c2ccnc(C3CC3)n2)c(=O)n(C)c1=O ZINC000607836445 397705503 /nfs/dbraw/zinc/70/55/03/397705503.db2.gz BTILLLAVDJUGLW-UHFFFAOYSA-N 0 0 301.306 0.004 10 0 DCAERN CCc1n[nH]cc1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000608590900 397738828 /nfs/dbraw/zinc/73/88/28/397738828.db2.gz HWVJEOQHMUWQNQ-XLKFXECMSA-N 0 0 305.338 0.080 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000371422495 296588652 /nfs/dbraw/zinc/58/86/52/296588652.db2.gz GGAOLWSXQCRLGL-LLVKDONJSA-N 0 0 304.412 0.632 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000367763772 296590992 /nfs/dbraw/zinc/59/09/92/296590992.db2.gz QDYWCFSNSYXXFB-LLVKDONJSA-N 0 0 324.402 0.772 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000408184528 289231028 /nfs/dbraw/zinc/23/10/28/289231028.db2.gz BXTKTAXOLJCPSE-MVWJERBFSA-N 0 0 304.412 0.198 10 0 DCAERN CCOC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(C)C ZINC000189640572 286164898 /nfs/dbraw/zinc/16/48/98/286164898.db2.gz MJWJTLDYQTUSQW-NEPJUHHUSA-N 0 0 306.428 0.876 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106916875 286608873 /nfs/dbraw/zinc/60/88/73/286608873.db2.gz CIQSGHLGYYJLSZ-AWEZNQCLSA-N 0 0 312.435 0.710 10 0 DCAERN NC(=O)NCC(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000046595347 158002085 /nfs/dbraw/zinc/00/20/85/158002085.db2.gz LYPVBWGCUCQPEU-UHFFFAOYSA-N 0 0 306.244 0.307 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046905276 158002170 /nfs/dbraw/zinc/00/21/70/158002170.db2.gz DHMAOYYEBGLQRJ-CYBMUJFWSA-N 0 0 320.397 0.271 10 0 DCAERN COCCn1nc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1=O ZINC000047923641 158004302 /nfs/dbraw/zinc/00/43/02/158004302.db2.gz YJTHPZPNKKQSPS-ZIAGYGMSSA-N 0 0 321.377 0.673 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(O)cc1 ZINC000049039251 158009448 /nfs/dbraw/zinc/00/94/48/158009448.db2.gz SOBGMXSUMRBPJT-UHFFFAOYSA-N 0 0 300.380 0.881 10 0 DCAERN O=C(CS(=O)(=O)c1ncccc1Cl)N1CCOCC1 ZINC000049101702 158009728 /nfs/dbraw/zinc/00/97/28/158009728.db2.gz OXQKXNJYGIPVHC-UHFFFAOYSA-N 0 0 304.755 0.368 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(N)=O ZINC000053394817 158018505 /nfs/dbraw/zinc/01/85/05/158018505.db2.gz RTQNDIDFVOEZHG-MDZLAQPJSA-N 0 0 305.378 0.821 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)C(N)=O ZINC000057050181 158023741 /nfs/dbraw/zinc/02/37/41/158023741.db2.gz STBYEGHAMJDACP-CYBMUJFWSA-N 0 0 317.389 0.458 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)NC(N)=O)cn1 ZINC000056114674 158024088 /nfs/dbraw/zinc/02/40/88/158024088.db2.gz DRKMCOFTDHQYQP-SECBINFHSA-N 0 0 302.338 0.249 10 0 DCAERN CC(C)(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(N)=O ZINC000057050184 158024385 /nfs/dbraw/zinc/02/43/85/158024385.db2.gz GNUGLCCCJYPKNL-LBPRGKRZSA-N 0 0 303.362 0.415 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000060405907 158026656 /nfs/dbraw/zinc/02/66/56/158026656.db2.gz IYDBUXPFTCUBSU-LLVKDONJSA-N 0 0 309.366 0.725 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCSCC1 ZINC000063760814 158031389 /nfs/dbraw/zinc/03/13/89/158031389.db2.gz HDBOEVRFJHMIEP-UHFFFAOYSA-N 0 0 320.422 0.831 10 0 DCAERN CCc1c(C(=O)N2CCNC(=O)CC2)cnn1-c1ccccn1 ZINC000065902295 158035022 /nfs/dbraw/zinc/03/50/22/158035022.db2.gz BOHIONDOKZBEMU-UHFFFAOYSA-N 0 0 313.361 0.792 10 0 DCAERN CCN1CCO[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000072844880 158053390 /nfs/dbraw/zinc/05/33/90/158053390.db2.gz ZQMFBVQGVXXIPY-AWEZNQCLSA-N 0 0 320.393 0.577 10 0 DCAERN CN(CC(F)(F)F)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000075610480 158062080 /nfs/dbraw/zinc/06/20/80/158062080.db2.gz LXRJZOVZCGKUFZ-UHFFFAOYSA-N 0 0 315.251 0.711 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000077763214 158069933 /nfs/dbraw/zinc/06/99/33/158069933.db2.gz XXQWFJYKIITJPJ-NWDGAFQWSA-N 0 0 307.398 0.762 10 0 DCAERN CC(C)(CNC(=O)NC[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000077752768 158070688 /nfs/dbraw/zinc/07/06/88/158070688.db2.gz XHDHCIPGGVLAOV-ZIAGYGMSSA-N 0 0 313.442 0.948 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000080785643 158082569 /nfs/dbraw/zinc/08/25/69/158082569.db2.gz TYJQUFVBSTVWDY-VXGBXAGGSA-N 0 0 317.455 0.952 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091000115 158106059 /nfs/dbraw/zinc/10/60/59/158106059.db2.gz LBZLPPIQJMIAMB-LBPRGKRZSA-N 0 0 317.345 0.930 10 0 DCAERN COC[C@@H](O)CCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091082239 158106693 /nfs/dbraw/zinc/10/66/93/158106693.db2.gz KIGQUPHOPKGTSM-NSHDSACASA-N 0 0 305.334 0.130 10 0 DCAERN CC[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(=O)OC ZINC000091068909 158106726 /nfs/dbraw/zinc/10/67/26/158106726.db2.gz IRVITOXAXPCZAL-LLVKDONJSA-N 0 0 303.318 0.684 10 0 DCAERN COc1c(C)cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C ZINC000091866212 158111066 /nfs/dbraw/zinc/11/10/66/158111066.db2.gz PWGCMNGBGLXGCM-CQSZACIVSA-N 0 0 317.389 0.455 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000093189409 158117865 /nfs/dbraw/zinc/11/78/65/158117865.db2.gz SGBSQKDNFDXFOI-CQSZACIVSA-N 0 0 309.435 0.895 10 0 DCAERN CCc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)sc1C ZINC000102166214 158126857 /nfs/dbraw/zinc/12/68/57/158126857.db2.gz TVDNRXQJDGTEDN-UHFFFAOYSA-N 0 0 317.436 0.580 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000107309781 158135609 /nfs/dbraw/zinc/13/56/09/158135609.db2.gz QOTNIRIHHYTGDX-NXEZZACHSA-N 0 0 317.411 0.778 10 0 DCAERN CCS(=O)(=O)NCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000109329256 158136865 /nfs/dbraw/zinc/13/68/65/158136865.db2.gz LZTLGSAHQPYMRG-UHFFFAOYSA-N 0 0 314.455 0.614 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)N1CCCCC1 ZINC000108404264 158137081 /nfs/dbraw/zinc/13/70/81/158137081.db2.gz LNBRKDWONYTPMP-STQMWFEESA-N 0 0 317.455 0.954 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)CN3CCCC3=O)CC2)no1 ZINC000110945487 158139011 /nfs/dbraw/zinc/13/90/11/158139011.db2.gz JDVKAZJXUGLZLN-UHFFFAOYSA-N 0 0 321.381 0.035 10 0 DCAERN COc1ccccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000113298747 158146744 /nfs/dbraw/zinc/14/67/44/158146744.db2.gz SFEIWGQCSSCVRW-SNVBAGLBSA-N 0 0 308.363 0.580 10 0 DCAERN CC(C)CNC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650559 158149405 /nfs/dbraw/zinc/14/94/05/158149405.db2.gz DIHXMCKENVWXCX-NSHDSACASA-N 0 0 312.391 0.657 10 0 DCAERN CS(=O)(=O)CCCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471360 158154423 /nfs/dbraw/zinc/15/44/23/158154423.db2.gz FUBNNFQJSVWMOV-SNVBAGLBSA-N 0 0 317.436 0.981 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114857104 158157594 /nfs/dbraw/zinc/15/75/94/158157594.db2.gz ZLZIDMOJMUBLLS-HNNXBMFYSA-N 0 0 320.437 0.949 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCn1ccnc1)CC2 ZINC000114908037 158159167 /nfs/dbraw/zinc/15/91/67/158159167.db2.gz GJGVNAVCAIQZPA-NSHDSACASA-N 0 0 303.370 0.351 10 0 DCAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCNC(=O)CC1 ZINC000115362586 158161218 /nfs/dbraw/zinc/16/12/18/158161218.db2.gz CUMSOMQKLYGYEN-UHFFFAOYSA-N 0 0 319.390 0.814 10 0 DCAERN CN1CC[C@@H](N2CCCN(Cc3noc(C4CC4)n3)CC2)C1=O ZINC000116278296 158164655 /nfs/dbraw/zinc/16/46/55/158164655.db2.gz IZSBJHPRKKLPAM-CYBMUJFWSA-N 0 0 319.409 0.685 10 0 DCAERN COCCS(=O)(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116904729 158168839 /nfs/dbraw/zinc/16/88/39/158168839.db2.gz YPNNVFFUTCNPCX-UHFFFAOYSA-N 0 0 313.423 0.925 10 0 DCAERN CNC(=O)C1(C(=O)NCCc2csc(N3CCCC3)n2)CC1 ZINC000117984849 158174670 /nfs/dbraw/zinc/17/46/70/158174670.db2.gz UILKHJQDWCPXMX-UHFFFAOYSA-N 0 0 322.434 0.928 10 0 DCAERN CC(C)Oc1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)n1 ZINC000119085954 158182994 /nfs/dbraw/zinc/18/29/94/158182994.db2.gz VCMBRHAGUXRSOM-UHFFFAOYSA-N 0 0 318.333 0.519 10 0 DCAERN O=C1CCCN1CCCNS(=O)(=O)N1CCCCCC1 ZINC000119334066 158184969 /nfs/dbraw/zinc/18/49/69/158184969.db2.gz MFPSMCRIZLJCLS-UHFFFAOYSA-N 0 0 303.428 0.709 10 0 DCAERN O=C(CC(F)(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119926533 158190296 /nfs/dbraw/zinc/19/02/96/158190296.db2.gz LOKJFALDMUEEAO-SECBINFHSA-N 0 0 314.329 0.965 10 0 DCAERN NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000119881920 158190590 /nfs/dbraw/zinc/19/05/90/158190590.db2.gz PLVDAXRNULVRQF-ZIAGYGMSSA-N 0 0 321.421 0.892 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000120309905 158196334 /nfs/dbraw/zinc/19/63/34/158196334.db2.gz XETIESJLCFIMOK-SECBINFHSA-N 0 0 302.342 0.271 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000120868610 158203508 /nfs/dbraw/zinc/20/35/08/158203508.db2.gz KRUDXBBXUUOMLX-UWVGGRQHSA-N 0 0 322.390 0.599 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCN(c3ncccc3F)C2)no1 ZINC000121021151 158206722 /nfs/dbraw/zinc/20/67/22/158206722.db2.gz MGEFCIZGLZGVFW-JTQLQIEISA-N 0 0 320.328 0.990 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CCC[C@@H]1CO ZINC000121187605 158208497 /nfs/dbraw/zinc/20/84/97/158208497.db2.gz UTLGENXFLBJFAB-GFCCVEGCSA-N 0 0 316.317 0.658 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000121819923 158215496 /nfs/dbraw/zinc/21/54/96/158215496.db2.gz VTAUMSGUHQZNCM-VXGBXAGGSA-N 0 0 318.377 0.855 10 0 DCAERN CCOCCOCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000122209947 158219621 /nfs/dbraw/zinc/21/96/21/158219621.db2.gz WOBKNUDNDWUOOW-AWEZNQCLSA-N 0 0 306.362 0.478 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)sc1C ZINC000122409438 158221059 /nfs/dbraw/zinc/22/10/59/158221059.db2.gz KTWSOTNHECNQQO-GMSGAONNSA-N 0 0 312.395 0.544 10 0 DCAERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CNC(C)=O ZINC000122493258 158221595 /nfs/dbraw/zinc/22/15/95/158221595.db2.gz RJOOSOUODNJICM-LBPRGKRZSA-N 0 0 306.362 0.960 10 0 DCAERN CCN1CCN(C(=O)N[C@H]2CCCn3nc(COC)nc32)CC1 ZINC000122545753 158222023 /nfs/dbraw/zinc/22/20/23/158222023.db2.gz FOTUGVTZNLDYHP-LBPRGKRZSA-N 0 0 322.413 0.607 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CCO)C2)cc1 ZINC000122838040 158224258 /nfs/dbraw/zinc/22/42/58/158224258.db2.gz RHTNGLWUIKDFAI-LLVKDONJSA-N 0 0 313.375 0.866 10 0 DCAERN NC(=O)C1([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000123032460 158226340 /nfs/dbraw/zinc/22/63/40/158226340.db2.gz WGDXZNRTDWHOTI-KBPBESRZSA-N 0 0 323.437 0.934 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N(C)CC(=O)NC(C)(C)C ZINC000123220991 158228270 /nfs/dbraw/zinc/22/82/70/158228270.db2.gz QZBKTQNBIZLOCE-UHFFFAOYSA-N 0 0 310.398 0.789 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)n(C)n1 ZINC000123223881 158228281 /nfs/dbraw/zinc/22/82/81/158228281.db2.gz WEFXNVDPGMTINK-NSHDSACASA-N 0 0 300.318 0.917 10 0 DCAERN C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)Cn1cccn1 ZINC000124167600 158237870 /nfs/dbraw/zinc/23/78/70/158237870.db2.gz ITRHBPMDHQZYGW-NWDGAFQWSA-N 0 0 314.411 0.348 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H]1CCCC[C@H]1CO ZINC000124546091 158243931 /nfs/dbraw/zinc/24/39/31/158243931.db2.gz XAWIBZDKXDCVPI-SRVKXCTJSA-N 0 0 304.412 0.414 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC000124942024 158249315 /nfs/dbraw/zinc/24/93/15/158249315.db2.gz BVZNQEQYZNKGDP-KBPBESRZSA-N 0 0 319.409 0.660 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000125343935 158253681 /nfs/dbraw/zinc/25/36/81/158253681.db2.gz PNDJUXKDYWBRHQ-VXGBXAGGSA-N 0 0 318.439 0.560 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(Cl)s1 ZINC000125281371 158254149 /nfs/dbraw/zinc/25/41/49/158254149.db2.gz DCZJFGQFOPXYSH-ZETCQYMHSA-N 0 0 317.798 0.783 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000125360701 158255053 /nfs/dbraw/zinc/25/50/53/158255053.db2.gz SZFJQRXXQCLQKZ-GFCCVEGCSA-N 0 0 305.382 0.906 10 0 DCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000126233756 158263563 /nfs/dbraw/zinc/26/35/63/158263563.db2.gz FIXZRPHEMDBUIS-AEJSXWLSSA-N 0 0 301.387 0.916 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991397 158269871 /nfs/dbraw/zinc/26/98/71/158269871.db2.gz NVVIDQGDPAKNEN-AWEZNQCLSA-N 0 0 306.410 0.989 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc[nH]c1=O ZINC000127142311 158271418 /nfs/dbraw/zinc/27/14/18/158271418.db2.gz XTCADMJSJVQHKD-SNVBAGLBSA-N 0 0 303.322 0.790 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127528333 158273910 /nfs/dbraw/zinc/27/39/10/158273910.db2.gz YHSYHFFTQRGXDG-CYBMUJFWSA-N 0 0 318.439 0.037 10 0 DCAERN COCCS(=O)(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000127946234 158276897 /nfs/dbraw/zinc/27/68/97/158276897.db2.gz YPBOMRUFOOLVBH-JTQLQIEISA-N 0 0 319.814 0.880 10 0 DCAERN COC(=O)C1(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000128018196 158278096 /nfs/dbraw/zinc/27/80/96/158278096.db2.gz KDSPUSJXGVBZJD-SNVBAGLBSA-N 0 0 306.366 0.786 10 0 DCAERN CCOC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128095599 158278895 /nfs/dbraw/zinc/27/88/95/158278895.db2.gz DGYIORXSEQFQKC-ZIAGYGMSSA-N 0 0 322.409 0.978 10 0 DCAERN C[C@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)N1CCOCC1 ZINC000128305596 158279951 /nfs/dbraw/zinc/27/99/51/158279951.db2.gz NQGXJDQRQMPMCH-CHWSQXEVSA-N 0 0 301.431 0.803 10 0 DCAERN CC[C@@H](CCO)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000129197450 158286272 /nfs/dbraw/zinc/28/62/72/158286272.db2.gz DYYAPLDGMIDXAB-LBPRGKRZSA-N 0 0 308.378 0.950 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000129296312 158287657 /nfs/dbraw/zinc/28/76/57/158287657.db2.gz RNAXXTGJHDPIGT-VIFPVBQESA-N 0 0 303.384 0.912 10 0 DCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000129367440 158289075 /nfs/dbraw/zinc/28/90/75/158289075.db2.gz FIXZRPHEMDBUIS-GUBZILKMSA-N 0 0 301.387 0.916 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cnc2ccccn12 ZINC000129616742 158289575 /nfs/dbraw/zinc/28/95/75/158289575.db2.gz OWVPXFJIHTWCJL-GFCCVEGCSA-N 0 0 323.374 0.106 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000129796806 158290889 /nfs/dbraw/zinc/29/08/89/158290889.db2.gz CDMYBGFFOCYAMC-LLVKDONJSA-N 0 0 312.288 0.894 10 0 DCAERN COCCS(=O)(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000129713035 158291399 /nfs/dbraw/zinc/29/13/99/158291399.db2.gz IDJSIEQZVLDQSB-LLVKDONJSA-N 0 0 310.379 0.894 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000131054992 158298343 /nfs/dbraw/zinc/29/83/43/158298343.db2.gz VATZKSQHWLRGHI-LBPRGKRZSA-N 0 0 307.398 0.946 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000131659867 158304216 /nfs/dbraw/zinc/30/42/16/158304216.db2.gz DUKQECFBPPOJDY-JQWIXIFHSA-N 0 0 306.366 0.645 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000131930623 158307249 /nfs/dbraw/zinc/30/72/49/158307249.db2.gz RZDINSLNVQECPX-GFCCVEGCSA-N 0 0 318.377 0.703 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1Cc1nc2cc(F)ccc2o1 ZINC000132207635 158309302 /nfs/dbraw/zinc/30/93/02/158309302.db2.gz QWDAYIWRNVGMSZ-NSHDSACASA-N 0 0 321.308 0.830 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132686028 158312910 /nfs/dbraw/zinc/31/29/10/158312910.db2.gz QPVLTZAIVSVFQB-CYBMUJFWSA-N 0 0 300.380 0.901 10 0 DCAERN CCCS(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703091 158330264 /nfs/dbraw/zinc/33/02/64/158330264.db2.gz OZNUVZBXDABGDL-NSHDSACASA-N 0 0 310.441 0.226 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1=O ZINC000134770686 158331219 /nfs/dbraw/zinc/33/12/19/158331219.db2.gz TWGLERGJDPWYAW-GXTWGEPZSA-N 0 0 318.377 0.865 10 0 DCAERN C[C@@H](NC(=O)CSc1nncn1C)c1nnc2n1CCCC2 ZINC000135267307 158335461 /nfs/dbraw/zinc/33/54/61/158335461.db2.gz VPHNTKTVGKLGIW-SECBINFHSA-N 0 0 321.410 0.712 10 0 DCAERN Cc1noc(COCC(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000135415370 158336017 /nfs/dbraw/zinc/33/60/17/158336017.db2.gz ZJIYXCWRMHVWHZ-VIFPVBQESA-N 0 0 320.353 0.700 10 0 DCAERN CC(C)(C)OC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135684982 158339617 /nfs/dbraw/zinc/33/96/17/158339617.db2.gz HQKROCBWXWBDKF-LBPRGKRZSA-N 0 0 318.439 0.828 10 0 DCAERN Cn1cnnc1SCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135794202 158339880 /nfs/dbraw/zinc/33/98/80/158339880.db2.gz LIILNHRFFWJFDU-GFCCVEGCSA-N 0 0 319.390 0.982 10 0 DCAERN CCc1nnc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)o1 ZINC000135733971 158340373 /nfs/dbraw/zinc/34/03/73/158340373.db2.gz RCKKKGUMPKSQOC-NSHDSACASA-N 0 0 314.411 0.632 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CN2CCCC2=O)n(C)n1 ZINC000135734786 158340440 /nfs/dbraw/zinc/34/04/40/158340440.db2.gz XPNBSMZLIHZGPC-UHFFFAOYSA-N 0 0 302.338 0.382 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158669826 158353096 /nfs/dbraw/zinc/35/30/96/158353096.db2.gz IQOPABVIMJBYSQ-CYBMUJFWSA-N 0 0 302.396 0.901 10 0 DCAERN CC(C)CC(=O)NCCC(=O)NCCc1nnc2n1CCCC2 ZINC000166336037 158366037 /nfs/dbraw/zinc/36/60/37/158366037.db2.gz UPSFURYRANGQDM-UHFFFAOYSA-N 0 0 321.425 0.826 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(COC)c1 ZINC000171103974 158380347 /nfs/dbraw/zinc/38/03/47/158380347.db2.gz IAHRLMSSNVGMCW-CYBMUJFWSA-N 0 0 312.391 0.732 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286445 158381993 /nfs/dbraw/zinc/38/19/93/158381993.db2.gz INLWACOVMJJXMX-AWEZNQCLSA-N 0 0 311.426 0.520 10 0 DCAERN Cn1ncc2c1ncnc2N1CCCN(c2cccnn2)CC1 ZINC000171544088 158382899 /nfs/dbraw/zinc/38/28/99/158382899.db2.gz ZLTNCIRBAWGSRT-UHFFFAOYSA-N 0 0 310.365 0.870 10 0 DCAERN COC(C)(C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000171597135 158384821 /nfs/dbraw/zinc/38/48/21/158384821.db2.gz MNHOIZHNALVCLM-AWEZNQCLSA-N 0 0 302.440 0.736 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CCC(=O)NC(C)C)CC2)n1 ZINC000171590824 158384833 /nfs/dbraw/zinc/38/48/33/158384833.db2.gz MDBMWPCVOQDIPT-LBPRGKRZSA-N 0 0 309.414 0.971 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000171770675 158387796 /nfs/dbraw/zinc/38/77/96/158387796.db2.gz TVIKKLITSXBBOY-ZDUSSCGKSA-N 0 0 311.382 0.349 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308234 158392983 /nfs/dbraw/zinc/39/29/83/158392983.db2.gz PMKWWRKGPXNDFT-WCQYABFASA-N 0 0 318.381 0.869 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC1CCC(O)CC1)CC2 ZINC000172297819 158393125 /nfs/dbraw/zinc/39/31/25/158393125.db2.gz GEMBIHKYVZMPLA-MOENNCHZSA-N 0 0 307.398 0.758 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000172310825 158393409 /nfs/dbraw/zinc/39/34/09/158393409.db2.gz UIEYYASKNMDSFS-AWEZNQCLSA-N 0 0 321.425 0.745 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)Cc1ccccc1 ZINC000172403940 158394226 /nfs/dbraw/zinc/39/42/26/158394226.db2.gz PSOQXHCIFZXOLU-AWEZNQCLSA-N 0 0 313.357 0.531 10 0 DCAERN COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000172532212 158394819 /nfs/dbraw/zinc/39/48/19/158394819.db2.gz GQGOALRFITWKIG-NWDGAFQWSA-N 0 0 306.366 0.934 10 0 DCAERN CC(C)[C@H](C)CNC(=O)CSCC(=O)N1CCOCC1 ZINC000172578892 158395726 /nfs/dbraw/zinc/39/57/26/158395726.db2.gz XCWSIEBMUZADGO-GFCCVEGCSA-N 0 0 302.440 0.987 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000172603730 158396266 /nfs/dbraw/zinc/39/62/66/158396266.db2.gz XFJNSTXBGSGWIH-VXGBXAGGSA-N 0 0 315.381 0.905 10 0 DCAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)N[C@@H]1CCc2ncnn2C1 ZINC000172605130 158396613 /nfs/dbraw/zinc/39/66/13/158396613.db2.gz WSACTSNPWHDPQR-OSAQELSMSA-N 0 0 313.361 0.550 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748600 158398699 /nfs/dbraw/zinc/39/86/99/158398699.db2.gz FLJNVCOYSPQSRX-LBPRGKRZSA-N 0 0 323.418 0.411 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172692425 158399088 /nfs/dbraw/zinc/39/90/88/158399088.db2.gz RPFJQCIBJPZGRL-NWDGAFQWSA-N 0 0 304.346 0.814 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172765776 158399424 /nfs/dbraw/zinc/39/94/24/158399424.db2.gz UKEFABDUSCMRSJ-CYBMUJFWSA-N 0 0 321.377 0.333 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)CC1CCOCC1 ZINC000173019575 158402269 /nfs/dbraw/zinc/40/22/69/158402269.db2.gz RMKNHVRVFUJLRP-UHFFFAOYSA-N 0 0 315.439 0.925 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000173504349 158406232 /nfs/dbraw/zinc/40/62/32/158406232.db2.gz ITLNZAGCDDUXTA-LLVKDONJSA-N 0 0 302.400 0.829 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173473582 158406271 /nfs/dbraw/zinc/40/62/71/158406271.db2.gz PFFQNMOIZKPXMI-VIFPVBQESA-N 0 0 301.412 0.519 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000175521522 158428589 /nfs/dbraw/zinc/42/85/89/158428589.db2.gz IDJAMLZTTPTEBN-CYBMUJFWSA-N 0 0 317.389 0.839 10 0 DCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)CCCF)C2)cn1 ZINC000175589518 158428817 /nfs/dbraw/zinc/42/88/17/158428817.db2.gz SVIQCIWAGNQTLD-LLVKDONJSA-N 0 0 304.391 0.668 10 0 DCAERN CC[C@@H](NC(=O)CN(C)S(=O)(=O)CC)c1nccs1 ZINC000176815406 158441823 /nfs/dbraw/zinc/44/18/23/158441823.db2.gz QLJIIRXPUTZXME-SECBINFHSA-N 0 0 305.425 0.992 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000176859716 158442448 /nfs/dbraw/zinc/44/24/48/158442448.db2.gz JKNAJTAPNOIGGP-QWHCGFSZSA-N 0 0 320.455 0.236 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000177629241 158448413 /nfs/dbraw/zinc/44/84/13/158448413.db2.gz XAOVHUIMTPMZLN-TUAOUCFPSA-N 0 0 310.398 0.341 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178700525 158462273 /nfs/dbraw/zinc/46/22/73/158462273.db2.gz KOJQRNDBYHIVTM-ZFWWWQNUSA-N 0 0 313.357 0.994 10 0 DCAERN CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179340015 158470870 /nfs/dbraw/zinc/47/08/70/158470870.db2.gz PMHHGKVCSRPSDR-GFCCVEGCSA-N 0 0 312.391 0.710 10 0 DCAERN CCOCCOCC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000181146424 158482779 /nfs/dbraw/zinc/48/27/79/158482779.db2.gz DFGWBFUTNYDURV-UHFFFAOYSA-N 0 0 300.399 0.756 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729916 158488163 /nfs/dbraw/zinc/48/81/63/158488163.db2.gz CAGPFVPRZHGQSQ-SNVBAGLBSA-N 0 0 301.416 0.502 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NCCNC(=O)c2ccn[nH]2)n1 ZINC000183133211 158495610 /nfs/dbraw/zinc/49/56/10/158495610.db2.gz WJCLCIXOIMDSSH-LLVKDONJSA-N 0 0 304.354 0.330 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cnsn1 ZINC000183123636 158496425 /nfs/dbraw/zinc/49/64/25/158496425.db2.gz CWIJMLJUJKYOIJ-JTQLQIEISA-N 0 0 303.347 0.859 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000183982407 158504492 /nfs/dbraw/zinc/50/44/92/158504492.db2.gz CEMFNVTWYQGXQB-LBPRGKRZSA-N 0 0 306.293 0.880 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1C[C@@H](O)C[C@H]1CO ZINC000185577676 158522424 /nfs/dbraw/zinc/52/24/24/158522424.db2.gz JBQWBDWKZKSSGL-IGQOVBAYSA-N 0 0 308.382 0.504 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000188225086 158543692 /nfs/dbraw/zinc/54/36/92/158543692.db2.gz PCLRUJXVIRNQDP-UHFFFAOYSA-N 0 0 312.391 0.938 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000188900641 158548719 /nfs/dbraw/zinc/54/87/19/158548719.db2.gz GYATZAXWBYLFHS-SNVBAGLBSA-N 0 0 317.324 0.757 10 0 DCAERN COCCN1CCCN(C(=O)c2cnc(C)nc2C)CC1=O ZINC000189064654 158549722 /nfs/dbraw/zinc/54/97/22/158549722.db2.gz SVKSNVKNKRFDJN-UHFFFAOYSA-N 0 0 306.366 0.414 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000189506196 158553259 /nfs/dbraw/zinc/55/32/59/158553259.db2.gz OURAGGYMQAKZRC-NEPJUHHUSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1cc(N2CCN(C(=O)COCC(F)(F)F)CC2)n[nH]1 ZINC000189718174 158554411 /nfs/dbraw/zinc/55/44/11/158554411.db2.gz FEQRBXSPOWOVAM-UHFFFAOYSA-N 0 0 306.288 0.946 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000189760275 158554764 /nfs/dbraw/zinc/55/47/64/158554764.db2.gz PTBKQFAEMYHIPR-UHFFFAOYSA-N 0 0 303.362 0.627 10 0 DCAERN CCN1CN(C(=O)c2ccccc2S(=O)(=O)CC)CC1=O ZINC000190533853 158560881 /nfs/dbraw/zinc/56/08/81/158560881.db2.gz VKJWREBLZBMPJU-UHFFFAOYSA-N 0 0 310.375 0.742 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](CO)C2)cc1 ZINC000192692726 158577406 /nfs/dbraw/zinc/57/74/06/158577406.db2.gz RFZDWAOHMVXYMX-GFCCVEGCSA-N 0 0 306.362 0.656 10 0 DCAERN COCCN1CCCN(C(=O)c2cnc(Cl)cn2)CC1=O ZINC000192943276 158579438 /nfs/dbraw/zinc/57/94/38/158579438.db2.gz IUVKXHZYBYWWSE-UHFFFAOYSA-N 0 0 312.757 0.451 10 0 DCAERN O=C(NCCCCO)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000194959273 158602619 /nfs/dbraw/zinc/60/26/19/158602619.db2.gz QCJRTNQHKFLTQH-HNNXBMFYSA-N 0 0 304.390 0.966 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000195480307 158612025 /nfs/dbraw/zinc/61/20/25/158612025.db2.gz ZFPSWRFPHYSDFX-JTQLQIEISA-N 0 0 309.395 0.152 10 0 DCAERN COC(=O)[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000231648972 158627494 /nfs/dbraw/zinc/62/74/94/158627494.db2.gz FFXAWDUGZLAZNM-VIFPVBQESA-N 0 0 307.755 0.461 10 0 DCAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000245730289 158651852 /nfs/dbraw/zinc/65/18/52/158651852.db2.gz FCNDKUPQHOYYGB-RISCZKNCSA-N 0 0 323.368 0.531 10 0 DCAERN O=C(CN1CCC[C@]12CCOC2=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249557007 158708581 /nfs/dbraw/zinc/70/85/81/158708581.db2.gz KDYWOMLNRVESOO-CKEIUWERSA-N 0 0 322.405 0.938 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1nccn1C(F)F ZINC000175836368 297159295 /nfs/dbraw/zinc/15/92/95/297159295.db2.gz SBTUSWCRRXCGFI-BDAKNGLRSA-N 0 0 324.353 0.722 10 0 DCAERN CCC1(CC)CN(c2ccc(C(=O)NC)nn2)CC[S@]1=O ZINC000302216831 158979376 /nfs/dbraw/zinc/97/93/76/158979376.db2.gz JDZMJBIPYZWBFR-OAQYLSRUSA-N 0 0 310.423 0.964 10 0 DCAERN NC(=O)c1cncc(NC[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000301625232 158979416 /nfs/dbraw/zinc/97/94/16/158979416.db2.gz ZODQYJHBCMIIML-MRVPVSSYSA-N 0 0 303.288 0.872 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000305698638 158991629 /nfs/dbraw/zinc/99/16/29/158991629.db2.gz OYTZBLNRFGEMLL-YPMHNXCESA-N 0 0 301.412 0.866 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@](C)(O)C(C)C ZINC000312518175 158995728 /nfs/dbraw/zinc/99/57/28/158995728.db2.gz OCGKALRZGNBJDM-NTZNESFSSA-N 0 0 307.412 0.655 10 0 DCAERN CCOC(=O)c1csc(CNC2(CO)CCOCC2)n1 ZINC000328372135 159013549 /nfs/dbraw/zinc/01/35/49/159013549.db2.gz FAIXLTOAJMZEJS-UHFFFAOYSA-N 0 0 300.380 0.951 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)CCS1(=O)=O ZINC000328671456 159019330 /nfs/dbraw/zinc/01/93/30/159019330.db2.gz NJRFBYNTPGFWOW-WDEREUQCSA-N 0 0 302.396 0.921 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000328700174 159022242 /nfs/dbraw/zinc/02/22/42/159022242.db2.gz VZSQPDVNMIKUTK-AEFFLSMTSA-N 0 0 318.417 0.870 10 0 DCAERN COc1cccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000328716261 159024181 /nfs/dbraw/zinc/02/41/81/159024181.db2.gz DTHKXAVPZBQANB-NWDGAFQWSA-N 0 0 318.333 0.659 10 0 DCAERN CC(C)N1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1=O ZINC000328731837 159024961 /nfs/dbraw/zinc/02/49/61/159024961.db2.gz GUSSUYIIJJOYMP-CYBMUJFWSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)N1CCCCC1=O ZINC000328755029 159027227 /nfs/dbraw/zinc/02/72/27/159027227.db2.gz SQKPMVKQDTZIQY-MCIONIFRSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1N1CCOCC1 ZINC000328766020 159028214 /nfs/dbraw/zinc/02/82/14/159028214.db2.gz GZXBKQNZAKNWGI-XUJVJEKNSA-N 0 0 319.409 0.089 10 0 DCAERN COc1cccc(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000328784904 159028805 /nfs/dbraw/zinc/02/88/05/159028805.db2.gz VWHMEFIDMZXBLU-SNVBAGLBSA-N 0 0 304.306 0.236 10 0 DCAERN C[C@H](CC(=O)N1CCN(CC(N)=O)CC1)N1CCCCC1=O ZINC000328791114 159029990 /nfs/dbraw/zinc/02/99/90/159029990.db2.gz ZDIBPYWTNNIBQC-GFCCVEGCSA-N 0 0 310.398 0.457 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000328802554 159030355 /nfs/dbraw/zinc/03/03/55/159030355.db2.gz MKRBSPHMUMESDU-AWEZNQCLSA-N 0 0 314.393 0.788 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852402 159035193 /nfs/dbraw/zinc/03/51/93/159035193.db2.gz BUBOTCPXLYGKLB-KBPBESRZSA-N 0 0 313.361 0.570 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@@H](C)CN2CCCC2=O)no1 ZINC000328891718 159037604 /nfs/dbraw/zinc/03/76/04/159037604.db2.gz SOQVOXZWXGUWLP-VIFPVBQESA-N 0 0 301.368 0.413 10 0 DCAERN Cn1ncc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1C1CC1 ZINC000328888374 159037861 /nfs/dbraw/zinc/03/78/61/159037861.db2.gz QBLHZNCFDXDYGV-ZDUSSCGKSA-N 0 0 304.394 0.844 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892091 159038682 /nfs/dbraw/zinc/03/86/82/159038682.db2.gz SXRLBISEFXBGFN-QWHCGFSZSA-N 0 0 301.350 0.274 10 0 DCAERN COCc1ncsc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328904992 159040246 /nfs/dbraw/zinc/04/02/46/159040246.db2.gz JROZDODYPAEBFB-NWDGAFQWSA-N 0 0 311.407 0.835 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328915896 159040695 /nfs/dbraw/zinc/04/06/95/159040695.db2.gz JZECMOJOUWRCCR-WOPDTQHZSA-N 0 0 300.384 0.250 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329028691 159053855 /nfs/dbraw/zinc/05/38/55/159053855.db2.gz KNDHRMJDHJLJDP-GHMZBOCLSA-N 0 0 311.407 0.131 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329064564 159057207 /nfs/dbraw/zinc/05/72/07/159057207.db2.gz OOAVQILNJLFGJJ-LSDHHAIUSA-N 0 0 305.378 0.782 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)COc1ccccc1O ZINC000329104286 159061905 /nfs/dbraw/zinc/06/19/05/159061905.db2.gz GOJHOOQJEYITGD-NSHDSACASA-N 0 0 318.333 0.500 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)N1CCCCC1=O ZINC000329118138 159064294 /nfs/dbraw/zinc/06/42/94/159064294.db2.gz JIWHLOLXQWVTRF-XQQFMLRXSA-N 0 0 322.409 0.606 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2cnccn2)C[C@H](C)O1 ZINC000329132015 159065058 /nfs/dbraw/zinc/06/50/58/159065058.db2.gz YDDFDVYZSONTJM-TXEJJXNPSA-N 0 0 314.411 0.305 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329192286 159071601 /nfs/dbraw/zinc/07/16/01/159071601.db2.gz QSXAMPYANIGIEB-WDEREUQCSA-N 0 0 304.350 0.884 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000329246971 159076178 /nfs/dbraw/zinc/07/61/78/159076178.db2.gz AYDHHXPNMKGBJQ-LBPRGKRZSA-N 0 0 313.427 0.549 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000329256665 159076702 /nfs/dbraw/zinc/07/67/02/159076702.db2.gz XQYRIPWKHUTCIQ-STQMWFEESA-N 0 0 314.411 0.814 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@@]2(CCOC2)O1 ZINC000329352444 159084570 /nfs/dbraw/zinc/08/45/70/159084570.db2.gz UOBKPFOIGUXKKQ-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329359731 159085156 /nfs/dbraw/zinc/08/51/56/159085156.db2.gz BXJSZNKXOAYNNW-HBJVGIJOSA-N 0 0 324.381 0.504 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329411450 159090831 /nfs/dbraw/zinc/09/08/31/159090831.db2.gz DGEORWWTDVFYIG-WOPDTQHZSA-N 0 0 311.382 0.446 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCc2cncnc2C1 ZINC000329471985 159095352 /nfs/dbraw/zinc/09/53/52/159095352.db2.gz ZZCXEOLSRBSFEK-LBPRGKRZSA-N 0 0 306.391 0.673 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)N1CCc2cncnc2C1 ZINC000329464999 159095680 /nfs/dbraw/zinc/09/56/80/159095680.db2.gz VGRQHCNAGXVRAL-UHFFFAOYSA-N 0 0 309.391 0.719 10 0 DCAERN O=C([C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1)N1CCCC1 ZINC000329474639 159096231 /nfs/dbraw/zinc/09/62/31/159096231.db2.gz OUUSGEDTBICEHR-LBPRGKRZSA-N 0 0 308.382 0.077 10 0 DCAERN CN(C(=O)Cc1cncnc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000329548498 159101976 /nfs/dbraw/zinc/10/19/76/159101976.db2.gz DZYBBLKSNZECNE-CQSZACIVSA-N 0 0 312.377 0.937 10 0 DCAERN C[C@@H](CNS(=O)(=O)[C@@H]1CCO[C@H](C)C1)N1CCOCC1 ZINC000329596741 159105780 /nfs/dbraw/zinc/10/57/80/159105780.db2.gz PGDHWKBKVBSJQT-YNEHKIRRSA-N 0 0 306.428 0.194 10 0 DCAERN Cn1[nH]c(CN2CCC(c3noc(C4CC4)n3)CC2)nc1=O ZINC000329595326 159105839 /nfs/dbraw/zinc/10/58/39/159105839.db2.gz BSXFZIMZENCQHO-UHFFFAOYSA-N 0 0 304.354 0.748 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCCC1)CC2 ZINC000329676653 159110780 /nfs/dbraw/zinc/11/07/80/159110780.db2.gz PQAUOSZAPXIUFM-NSHDSACASA-N 0 0 313.427 0.647 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000329678785 159111568 /nfs/dbraw/zinc/11/15/68/159111568.db2.gz VTHFLJLDRNSOMI-CQSZACIVSA-N 0 0 317.455 0.370 10 0 DCAERN Cn1cc(C(=O)c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)cn1 ZINC000329731714 159115400 /nfs/dbraw/zinc/11/54/00/159115400.db2.gz PVUXDLPIAMQLQK-NEPJUHHUSA-N 0 0 317.349 0.960 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@H]1N1CCOCC1 ZINC000329757028 159117587 /nfs/dbraw/zinc/11/75/87/159117587.db2.gz ZBUVYAFJCADDQZ-OWCLPIDISA-N 0 0 323.437 0.567 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000329872892 159124909 /nfs/dbraw/zinc/12/49/09/159124909.db2.gz DKFXVBPLNUBJSN-QMTHXVAHSA-N 0 0 311.407 0.877 10 0 DCAERN Cc1ccnc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000329978638 159133464 /nfs/dbraw/zinc/13/34/64/159133464.db2.gz HXOJTUBYNGZZRR-CQSZACIVSA-N 0 0 304.394 0.969 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)C3(O)CCOCC3)CC2)n1 ZINC000330013003 159135437 /nfs/dbraw/zinc/13/54/37/159135437.db2.gz LMHIPXOJHOPDKV-LLVKDONJSA-N 0 0 324.381 0.125 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000330067084 159139581 /nfs/dbraw/zinc/13/95/81/159139581.db2.gz UDGDQZRBVWQDOK-YHUYYLMFSA-N 0 0 317.389 0.701 10 0 DCAERN O=C(c1cncc(N2CCOCC2)c1)N1CC(O)(C2CC2)C1 ZINC000330097386 159141963 /nfs/dbraw/zinc/14/19/63/159141963.db2.gz YKBFSDGYYJLBOI-UHFFFAOYSA-N 0 0 303.362 0.515 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C2CC2)C1)n1cccn1 ZINC000330128793 159143915 /nfs/dbraw/zinc/14/39/15/159143915.db2.gz JPMACSPARFCJPV-TZMCWYRMSA-N 0 0 320.393 0.540 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@H](C)[S@@]1=O ZINC000330128286 159144139 /nfs/dbraw/zinc/14/41/39/159144139.db2.gz NLRPQAAUXNJTPW-LKQSKYIXSA-N 0 0 315.439 0.602 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000330165564 159147051 /nfs/dbraw/zinc/14/70/51/159147051.db2.gz UQGRPOJBCLJJQJ-QWRGUYRKSA-N 0 0 310.383 0.474 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[C@@H](O)C1 ZINC000330199298 159149633 /nfs/dbraw/zinc/14/96/33/159149633.db2.gz VFTYIRQLFSOVJS-CHWSQXEVSA-N 0 0 304.412 0.174 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[C@H](CO)C1 ZINC000330224076 159151866 /nfs/dbraw/zinc/15/18/66/159151866.db2.gz SQTVTIOEGYSBTQ-UONOGXRCSA-N 0 0 318.439 0.422 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@]3(C)CCCNC3=O)CCO2)[nH]1 ZINC000330230275 159152169 /nfs/dbraw/zinc/15/21/69/159152169.db2.gz DJTOAGMQHZMAEB-IINYFYTJSA-N 0 0 307.354 0.770 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[C@H](C)S(=O)(=O)CC2)n1 ZINC000330252574 159154674 /nfs/dbraw/zinc/15/46/74/159154674.db2.gz OKABNLFLCLILMY-NSHDSACASA-N 0 0 321.406 0.984 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330283330 159156949 /nfs/dbraw/zinc/15/69/49/159156949.db2.gz BGSZYDWANBREGX-MBJVOQIVSA-N 0 0 317.349 0.227 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cn(C)nn2)CC(=O)N1C ZINC000330295913 159157499 /nfs/dbraw/zinc/15/74/99/159157499.db2.gz JRILQZPFOYFSOA-IUODEOHRSA-N 0 0 317.397 0.227 10 0 DCAERN O=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330562812 159194339 /nfs/dbraw/zinc/19/43/39/159194339.db2.gz JIHLDZBXKWATFK-HBNTYKKESA-N 0 0 311.300 0.954 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCCNC1=O)CC2 ZINC000332859112 159215539 /nfs/dbraw/zinc/21/55/39/159215539.db2.gz KYLJQMJLFXWCBO-WDEREUQCSA-N 0 0 320.397 0.294 10 0 DCAERN O=C1CNC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000348982980 159241705 /nfs/dbraw/zinc/24/17/05/159241705.db2.gz KHKMPQMWDWGDCO-JTQLQIEISA-N 0 0 309.347 0.001 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCC[C@@](C)(O)C2)n1 ZINC000359248875 159256171 /nfs/dbraw/zinc/25/61/71/159256171.db2.gz UTNJTPKMAVLYKX-MRXNPFEDSA-N 0 0 321.377 0.122 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000366813104 159289630 /nfs/dbraw/zinc/28/96/30/159289630.db2.gz WHPQTVZJHNWCKS-OLZOCXBDSA-N 0 0 306.410 0.745 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C[C@@H]1C ZINC000366894427 159295366 /nfs/dbraw/zinc/29/53/66/159295366.db2.gz UAYXBLFEXXTUSD-YNEHKIRRSA-N 0 0 310.394 0.950 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000366960892 159301227 /nfs/dbraw/zinc/30/12/27/159301227.db2.gz TZRRRPBCKIZQOV-STQMWFEESA-N 0 0 304.394 0.383 10 0 DCAERN CC(=O)CCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000367072956 159311289 /nfs/dbraw/zinc/31/12/89/159311289.db2.gz QFRIYRGRUBDGLY-UHFFFAOYSA-N 0 0 323.437 0.758 10 0 DCAERN COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000367288383 159328300 /nfs/dbraw/zinc/32/83/00/159328300.db2.gz WLVKYNPBLQVJAZ-LBPRGKRZSA-N 0 0 322.361 0.464 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367422245 159337499 /nfs/dbraw/zinc/33/74/99/159337499.db2.gz FCPGPRAOYHVJJL-QWRGUYRKSA-N 0 0 313.379 0.855 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@H]2C)o1 ZINC000367660695 159349174 /nfs/dbraw/zinc/34/91/74/159349174.db2.gz NNNKSZRCZKTNMO-SECBINFHSA-N 0 0 302.352 0.439 10 0 DCAERN Cn1nncc1CNC(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000367938853 159366171 /nfs/dbraw/zinc/36/61/71/159366171.db2.gz ORZVAEGIENFDIR-LBPRGKRZSA-N 0 0 300.366 0.743 10 0 DCAERN C[S@@](=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000368325156 159387560 /nfs/dbraw/zinc/38/75/60/159387560.db2.gz XVSHEZKFFNAEJC-MCMMXHMISA-N 0 0 323.418 0.972 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N3CC(n4ccnn4)C3)nn2)c1 ZINC000368599496 159405244 /nfs/dbraw/zinc/40/52/44/159405244.db2.gz AMQJTUPTFDNFIZ-UHFFFAOYSA-N 0 0 309.333 0.864 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000368725969 159414447 /nfs/dbraw/zinc/41/44/47/159414447.db2.gz AICSUURIIGMFGJ-SNVBAGLBSA-N 0 0 318.420 0.462 10 0 DCAERN CC1(C)CN(C(=O)Cn2cc(N[C@H]3CCOC3)cn2)CCO1 ZINC000372391717 159620929 /nfs/dbraw/zinc/62/09/29/159620929.db2.gz NMHDFPXJLDAIBP-LBPRGKRZSA-N 0 0 308.382 0.721 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1=O ZINC000374731861 159748259 /nfs/dbraw/zinc/74/82/59/159748259.db2.gz MNSBMKRRQRJCNW-WISYIIOYSA-N 0 0 322.409 0.352 10 0 DCAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375241439 159779515 /nfs/dbraw/zinc/77/95/15/159779515.db2.gz ZVNDSZZHHLLTQH-ZDUSSCGKSA-N 0 0 323.780 0.822 10 0 DCAERN Cn1nc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)ccc1=O ZINC000375902031 159825999 /nfs/dbraw/zinc/82/59/99/159825999.db2.gz LUYKDYJSUBKUFJ-UHFFFAOYSA-N 0 0 303.293 0.263 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000378256838 159972878 /nfs/dbraw/zinc/97/28/78/159972878.db2.gz JNLGLRGNVQFSFY-ZDUSSCGKSA-N 0 0 323.422 0.438 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)N1CC(n2ccnn2)C1 ZINC000378536790 159988732 /nfs/dbraw/zinc/98/87/32/159988732.db2.gz CTQJCOAGXONKIU-UHFFFAOYSA-N 0 0 314.349 0.267 10 0 DCAERN C[C@]1(C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCC(=O)NC1 ZINC000407952983 159995878 /nfs/dbraw/zinc/99/58/78/159995878.db2.gz BFNLYHVFFPHWEJ-NSHDSACASA-N 0 0 307.272 0.093 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CC2)n1 ZINC000407963599 159998118 /nfs/dbraw/zinc/99/81/18/159998118.db2.gz IGKULYQSXUYNSQ-COPLHBTASA-N 0 0 308.382 0.836 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000407972004 160000150 /nfs/dbraw/zinc/00/01/50/160000150.db2.gz RPAPNBWUTIOASI-MJBXVCDLSA-N 0 0 323.437 0.960 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000407970583 160000154 /nfs/dbraw/zinc/00/01/54/160000154.db2.gz ZTPWTYDEGROAAC-ZDUSSCGKSA-N 0 0 323.418 0.941 10 0 DCAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CC(=O)N1C ZINC000407973332 160000228 /nfs/dbraw/zinc/00/02/28/160000228.db2.gz XUCLZFMIYPTFTF-NSHDSACASA-N 0 0 304.346 0.689 10 0 DCAERN CC1(C)C[C@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000407983794 160002665 /nfs/dbraw/zinc/00/26/65/160002665.db2.gz SPYDSYMFSAHEQS-MNOVXSKESA-N 0 0 319.427 0.277 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000407988073 160003962 /nfs/dbraw/zinc/00/39/62/160003962.db2.gz GBEZCVHFLMEELH-KGLIPLIRSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCC[C@@H]1C ZINC000407989082 160004245 /nfs/dbraw/zinc/00/42/45/160004245.db2.gz WLURNIJUGRNQDW-QWHCGFSZSA-N 0 0 324.425 0.698 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000407999462 160007222 /nfs/dbraw/zinc/00/72/22/160007222.db2.gz VZETVKNOQMLZCT-IJLUTSLNSA-N 0 0 305.444 0.617 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCC[C@H]3COCC[C@H]32)C1=O ZINC000408002208 160007895 /nfs/dbraw/zinc/00/78/95/160007895.db2.gz DIRHVTKLYHBHRZ-QWHCGFSZSA-N 0 0 323.393 0.688 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)C(=O)N1CCCC[C@H]1C ZINC000408008795 160009480 /nfs/dbraw/zinc/00/94/80/160009480.db2.gz GDIOLQUEECVYIU-LOWDOPEQSA-N 0 0 309.410 0.807 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408006805 160009853 /nfs/dbraw/zinc/00/98/53/160009853.db2.gz BUJYLKOWYFKDQD-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408015241 160011526 /nfs/dbraw/zinc/01/15/26/160011526.db2.gz ANJZONDWPLHEOH-SDDRHHMPSA-N 0 0 304.412 0.461 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000408016085 160011712 /nfs/dbraw/zinc/01/17/12/160011712.db2.gz HULIYWRJIOXHMX-WOPDTQHZSA-N 0 0 308.444 0.463 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000408016343 160012271 /nfs/dbraw/zinc/01/22/71/160012271.db2.gz HDZLFDSSOJMZSV-IONNQARKSA-N 0 0 300.302 0.337 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018729 160013276 /nfs/dbraw/zinc/01/32/76/160013276.db2.gz VGKCHTXARPTZKJ-SFYZADRCSA-N 0 0 318.317 0.080 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000408021864 160014191 /nfs/dbraw/zinc/01/41/91/160014191.db2.gz JRCSFFVWTWOAFX-RYUDHWBXSA-N 0 0 311.382 0.054 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000408020155 160014285 /nfs/dbraw/zinc/01/42/85/160014285.db2.gz ZEYKEXDBFXYDFM-JTQLQIEISA-N 0 0 301.368 0.271 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408027859 160015534 /nfs/dbraw/zinc/01/55/34/160015534.db2.gz MYULZCWJBIGXES-RNJOBUHISA-N 0 0 306.428 0.291 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)CC(C)(C)O1 ZINC000408028689 160015674 /nfs/dbraw/zinc/01/56/74/160015674.db2.gz UHXZYMYVFBBRMZ-LBPRGKRZSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C(N)=O ZINC000408031397 160016574 /nfs/dbraw/zinc/01/65/74/160016574.db2.gz MWKKFRBVNWXDAR-VXNVDRBHSA-N 0 0 304.318 0.707 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000408041804 160020631 /nfs/dbraw/zinc/02/06/31/160020631.db2.gz IJXXEUKHYBBANW-GJZGRUSLSA-N 0 0 306.362 0.623 10 0 DCAERN C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000408044807 160021336 /nfs/dbraw/zinc/02/13/36/160021336.db2.gz WUKUMBTXLJCXFT-FPVGNUTFSA-N 0 0 310.379 0.555 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C[C@@H](O)C(F)(F)F)N1CCOCC1 ZINC000408045600 160021917 /nfs/dbraw/zinc/02/19/17/160021917.db2.gz RSNGNLBUCHWJNG-KXUCPTDWSA-N 0 0 314.279 0.181 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000408046792 160022825 /nfs/dbraw/zinc/02/28/25/160022825.db2.gz MSAYNOGMPMCOTM-WZRBSPASSA-N 0 0 324.343 0.917 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n(C)n1 ZINC000408054563 160024317 /nfs/dbraw/zinc/02/43/17/160024317.db2.gz SKJHJJFPBCXQSW-YPMHNXCESA-N 0 0 324.356 0.140 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000408053785 160024321 /nfs/dbraw/zinc/02/43/21/160024321.db2.gz POINRCMLYLRABT-NEPJUHHUSA-N 0 0 316.423 0.328 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC[C@H]2CCO[C@H](C)C2)C1 ZINC000408053666 160024592 /nfs/dbraw/zinc/02/45/92/160024592.db2.gz IPSOQQLEWVLYSK-IVMMDQJWSA-N 0 0 312.410 0.681 10 0 DCAERN O=C(c1ccc[nH]c1=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052863 160024639 /nfs/dbraw/zinc/02/46/39/160024639.db2.gz MQOBMSWOPSWJPS-PWSUYJOCSA-N 0 0 323.324 0.199 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC(F)(F)C(F)F)C1 ZINC000408057444 160025279 /nfs/dbraw/zinc/02/52/79/160025279.db2.gz UVXNWAXCGNAJFH-SNVBAGLBSA-N 0 0 300.252 0.376 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058179 160025746 /nfs/dbraw/zinc/02/57/46/160025746.db2.gz HFEGHLLNWWRVJZ-UHFFFAOYSA-N 0 0 309.366 0.128 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000408058296 160025794 /nfs/dbraw/zinc/02/57/94/160025794.db2.gz IRFKNDCNKLIXGK-CYBMUJFWSA-N 0 0 307.394 0.374 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000408059335 160025819 /nfs/dbraw/zinc/02/58/19/160025819.db2.gz CBRRTSIGUYIABQ-QWRGUYRKSA-N 0 0 316.423 0.504 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)N1CCC1 ZINC000408064042 160026447 /nfs/dbraw/zinc/02/64/47/160026447.db2.gz YTZRDONQFYKGRK-UHFFFAOYSA-N 0 0 305.381 0.005 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408065147 160026502 /nfs/dbraw/zinc/02/65/02/160026502.db2.gz ZIMWGVHGISHCJM-VXGBXAGGSA-N 0 0 310.394 0.903 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)CC2 ZINC000408093364 160034471 /nfs/dbraw/zinc/03/44/71/160034471.db2.gz VHLCAKMSCKAZTP-IJLUTSLNSA-N 0 0 307.398 0.568 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408092210 160034617 /nfs/dbraw/zinc/03/46/17/160034617.db2.gz KPMIXXYQAQBIRF-NHYWBVRUSA-N 0 0 315.373 0.934 10 0 DCAERN Cc1oc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1S(N)(=O)=O ZINC000408094720 160034903 /nfs/dbraw/zinc/03/49/03/160034903.db2.gz IKGGYCXJLSZKGR-VXNVDRBHSA-N 0 0 302.352 0.078 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408094891 160035227 /nfs/dbraw/zinc/03/52/27/160035227.db2.gz JPFRAGSAFWWGNO-LPWJVIDDSA-N 0 0 323.393 0.589 10 0 DCAERN CC1CCN(S(=O)(=O)NC[C@@]2(CCO)CCOC2)CC1 ZINC000408100424 160035842 /nfs/dbraw/zinc/03/58/42/160035842.db2.gz SAHUTNFWXXHWBO-CYBMUJFWSA-N 0 0 306.428 0.342 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000408101142 160035985 /nfs/dbraw/zinc/03/59/85/160035985.db2.gz HJAWOGBEFJOXIX-BPCQOVAHSA-N 0 0 308.378 0.799 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000408106947 160037039 /nfs/dbraw/zinc/03/70/39/160037039.db2.gz MFPBXQVMWXGIMM-NZEXEKPDSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cn2)CC[S@@](=O)C1 ZINC000408108595 160037349 /nfs/dbraw/zinc/03/73/49/160037349.db2.gz BIYOWSVHNUIWSS-MLCYQJTMSA-N 0 0 302.421 0.690 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cn1cnc2sccc2c1=O ZINC000408111802 160037989 /nfs/dbraw/zinc/03/79/89/160037989.db2.gz FWEXWYZPBTWBGI-JTQLQIEISA-N 0 0 306.391 0.621 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000408115947 160039462 /nfs/dbraw/zinc/03/94/62/160039462.db2.gz NCYOJRFPMULDDV-JMJZKYOTSA-N 0 0 314.363 0.533 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@](F)(CO)C2)C1 ZINC000408120055 160040044 /nfs/dbraw/zinc/04/00/44/160040044.db2.gz SDDGQUQUSIKOAR-SWLSCSKDSA-N 0 0 300.374 0.958 10 0 DCAERN CCc1nnc([C@H](C)N2CCN(S(=O)(=O)CC)CC2)o1 ZINC000408123952 160042041 /nfs/dbraw/zinc/04/20/41/160042041.db2.gz RTUVLKZGFTVMTL-JTQLQIEISA-N 0 0 302.400 0.660 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408127178 160042700 /nfs/dbraw/zinc/04/27/00/160042700.db2.gz DHVUFDUBUCKWES-STQMWFEESA-N 0 0 307.394 0.326 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408132420 160044064 /nfs/dbraw/zinc/04/40/64/160044064.db2.gz JSLKQCOLIRTPFN-STQMWFEESA-N 0 0 317.455 0.954 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)C1 ZINC000408132675 160044137 /nfs/dbraw/zinc/04/41/37/160044137.db2.gz LDODXAOXTCEBCS-LLVKDONJSA-N 0 0 303.428 0.373 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C)C1 ZINC000408131917 160044527 /nfs/dbraw/zinc/04/45/27/160044527.db2.gz IPTRKDDNRJKEJR-STQMWFEESA-N 0 0 317.455 0.906 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@H](C)C1 ZINC000408131916 160044529 /nfs/dbraw/zinc/04/45/29/160044529.db2.gz IPTRKDDNRJKEJR-QWHCGFSZSA-N 0 0 317.455 0.906 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408134391 160044808 /nfs/dbraw/zinc/04/48/08/160044808.db2.gz UAHNEQJIWAOVQZ-NSHDSACASA-N 0 0 301.416 0.817 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)C3(C(=O)N(C)C)CC3)C2)n1 ZINC000408146060 160047746 /nfs/dbraw/zinc/04/77/46/160047746.db2.gz MTPMWEOSJRLHKZ-LLVKDONJSA-N 0 0 306.366 0.952 10 0 DCAERN NC(=O)c1cn(C2CN(C(=O)C3CCC(F)(F)CC3)C2)nn1 ZINC000408154735 160049349 /nfs/dbraw/zinc/04/93/49/160049349.db2.gz QRERQRYTZNATMH-UHFFFAOYSA-N 0 0 313.308 0.586 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000408159768 160050027 /nfs/dbraw/zinc/05/00/27/160050027.db2.gz SGQOZRLGIDLCGX-SNVBAGLBSA-N 0 0 303.380 0.365 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1C ZINC000408174927 160052720 /nfs/dbraw/zinc/05/27/20/160052720.db2.gz OMRHIZJKPUPYPZ-UHFFFAOYSA-N 0 0 314.411 0.523 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCOCC3(CC3)C2)co1 ZINC000408178069 160053734 /nfs/dbraw/zinc/05/37/34/160053734.db2.gz UXIRUCMSXNWRMX-UHFFFAOYSA-N 0 0 314.363 0.440 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)COC3)C1 ZINC000408183874 160054442 /nfs/dbraw/zinc/05/44/42/160054442.db2.gz ULBYKYJRYKMHFD-ZDUSSCGKSA-N 0 0 310.375 0.481 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000408185526 160054973 /nfs/dbraw/zinc/05/49/73/160054973.db2.gz KMZSPKXJNJXHOO-CYBMUJFWSA-N 0 0 313.423 0.970 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000408184937 160055452 /nfs/dbraw/zinc/05/54/52/160055452.db2.gz APOBVEKQQQTSMX-LLVKDONJSA-N 0 0 304.412 0.486 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000408193896 160056577 /nfs/dbraw/zinc/05/65/77/160056577.db2.gz UQSNZJWNCFRDAG-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccccc3O)CC2)CC(=O)N1 ZINC000408197235 160057480 /nfs/dbraw/zinc/05/74/80/160057480.db2.gz HGNJTODTIRAYHV-OLZOCXBDSA-N 0 0 317.389 0.956 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215833 160061409 /nfs/dbraw/zinc/06/14/09/160061409.db2.gz ANXUIJGQRMBPAX-CHWSQXEVSA-N 0 0 302.440 0.611 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000408217976 160062260 /nfs/dbraw/zinc/06/22/60/160062260.db2.gz OKNHTIIDCLGSKY-VIFPVBQESA-N 0 0 316.383 0.830 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)s1 ZINC000408235894 160066395 /nfs/dbraw/zinc/06/63/95/160066395.db2.gz GRVFPTNHNIETBZ-DTWKUNHWSA-N 0 0 305.425 0.895 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000408237974 160066755 /nfs/dbraw/zinc/06/67/55/160066755.db2.gz SGMMDRKZORBJPJ-DCAQKATOSA-N 0 0 308.400 0.128 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000408242882 160067707 /nfs/dbraw/zinc/06/77/07/160067707.db2.gz ZHIGMAQXMAJUHG-RYUDHWBXSA-N 0 0 304.412 0.390 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C1CCCC1 ZINC000408245998 160068274 /nfs/dbraw/zinc/06/82/74/160068274.db2.gz IDAUNDTUFFKCKK-WBVHZDCISA-N 0 0 321.421 0.810 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000408254681 160070842 /nfs/dbraw/zinc/07/08/42/160070842.db2.gz FJHRDSFPRPMCIK-INIZCTEOSA-N 0 0 324.425 0.509 10 0 DCAERN Cc1cc([C@@H]2CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)on1 ZINC000408265673 160072091 /nfs/dbraw/zinc/07/20/91/160072091.db2.gz STHZFBMBXJBXPT-JTQLQIEISA-N 0 0 320.349 0.977 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](O)C2)c1 ZINC000408265796 160072199 /nfs/dbraw/zinc/07/21/99/160072199.db2.gz UIDKXOUUHCIEGC-JTQLQIEISA-N 0 0 315.395 0.298 10 0 DCAERN CC1(C)CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H]1O ZINC000408267007 160072682 /nfs/dbraw/zinc/07/26/82/160072682.db2.gz WCNXZSYGRJQNHY-GFCCVEGCSA-N 0 0 317.345 0.331 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CCO[C@]2(CCOC2)C1 ZINC000408271033 160073484 /nfs/dbraw/zinc/07/34/84/160073484.db2.gz UJHARTBKNPPRHJ-OAHLLOKOSA-N 0 0 311.382 0.200 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408274883 160074314 /nfs/dbraw/zinc/07/43/14/160074314.db2.gz PZILCJBTDPOQGH-NWDGAFQWSA-N 0 0 304.412 0.151 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@H](CO)O1 ZINC000408276544 160074399 /nfs/dbraw/zinc/07/43/99/160074399.db2.gz JXNQDMDHNGVHHN-GXSJLCMTSA-N 0 0 321.333 0.631 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000408281412 160075971 /nfs/dbraw/zinc/07/59/71/160075971.db2.gz OIFNIPUSCDFTMF-CQSZACIVSA-N 0 0 311.426 0.160 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CCNC(=O)C2(C)C)c1 ZINC000408283532 160076282 /nfs/dbraw/zinc/07/62/82/160076282.db2.gz LMAXPRMGOZANLV-UHFFFAOYSA-N 0 0 311.407 0.652 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000408294475 160078288 /nfs/dbraw/zinc/07/82/88/160078288.db2.gz MXDBMUPXTDMANJ-VXGBXAGGSA-N 0 0 323.393 0.565 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCN1C ZINC000408302814 160080207 /nfs/dbraw/zinc/08/02/07/160080207.db2.gz JHIZONUTQDHIRL-BBRMVZONSA-N 0 0 321.425 0.845 10 0 DCAERN C[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408303497 160080817 /nfs/dbraw/zinc/08/08/17/160080817.db2.gz QEYWFSFVEGBISB-QMMMGPOBSA-N 0 0 302.327 0.334 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)C1(O)CCOCC1 ZINC000408309358 160082384 /nfs/dbraw/zinc/08/23/84/160082384.db2.gz MGUDGNLKKQJFDG-UHFFFAOYSA-N 0 0 307.350 0.398 10 0 DCAERN COc1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)nn1C ZINC000408320257 160084225 /nfs/dbraw/zinc/08/42/25/160084225.db2.gz NZNXMMVUCTZGDP-LLVKDONJSA-N 0 0 307.272 0.958 10 0 DCAERN CSc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)cnn1C ZINC000408329640 160086085 /nfs/dbraw/zinc/08/60/85/160086085.db2.gz ZKJAOUGOUVIELD-UHFFFAOYSA-N 0 0 319.390 0.434 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H](C)[S@@]1=O ZINC000408342530 160088155 /nfs/dbraw/zinc/08/81/55/160088155.db2.gz KPDLOHGGCIZKAO-ONPAFVRTSA-N 0 0 322.386 0.999 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCSC2)C1=O ZINC000408342747 160088274 /nfs/dbraw/zinc/08/82/74/160088274.db2.gz ZMFCPSUCONAJBD-QWRGUYRKSA-N 0 0 308.407 0.785 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408344977 160088808 /nfs/dbraw/zinc/08/88/08/160088808.db2.gz CZCSYQJPHBMSSH-JSGCOSHPSA-N 0 0 318.439 0.758 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C2(O)CCCC2)C1=O ZINC000408343693 160088859 /nfs/dbraw/zinc/08/88/59/160088859.db2.gz RROFRLZTUKVEBX-LLVKDONJSA-N 0 0 306.366 0.337 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408365743 160093411 /nfs/dbraw/zinc/09/34/11/160093411.db2.gz IJBOHPNQSOPVHQ-JTQLQIEISA-N 0 0 315.482 0.578 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCO[C@H](CO)C1 ZINC000408368066 160093727 /nfs/dbraw/zinc/09/37/27/160093727.db2.gz BEFWDZOLYNRKPC-ZDUSSCGKSA-N 0 0 322.365 0.143 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000408371157 160094090 /nfs/dbraw/zinc/09/40/90/160094090.db2.gz VUOFAFKWDDJHEY-CQSZACIVSA-N 0 0 304.346 0.429 10 0 DCAERN Cc1c(C(=O)N2CCN(CCO)[C@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379335 160095705 /nfs/dbraw/zinc/09/57/05/160095705.db2.gz ZKZSKGWYQPBJFI-LLVKDONJSA-N 0 0 319.405 0.981 10 0 DCAERN CCn1nc(C(C)C)cc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000408386457 160097607 /nfs/dbraw/zinc/09/76/07/160097607.db2.gz SZCSZTVNNMGWEF-LLVKDONJSA-N 0 0 305.382 0.876 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2C[C@@H](O)[C@H](O)C2)cc1F ZINC000408393786 160099042 /nfs/dbraw/zinc/09/90/42/160099042.db2.gz GWLYPBWAFJKJDP-ZLMDCXFVSA-N 0 0 302.327 0.132 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000408398324 160100302 /nfs/dbraw/zinc/10/03/02/160100302.db2.gz YDJPZJYZSVFVNS-UWVGGRQHSA-N 0 0 321.424 0.099 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC(C(C)(C)O)C3)C2)cn1 ZINC000408406980 160101748 /nfs/dbraw/zinc/10/17/48/160101748.db2.gz SSBRBMBSIUTFCZ-CYBMUJFWSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)C1 ZINC000408406189 160102013 /nfs/dbraw/zinc/10/20/13/160102013.db2.gz LYFQQAKRDYLWKK-ADLMAVQZSA-N 0 0 308.469 0.854 10 0 DCAERN O=C([C@@H]1CCCN(c2nccn3cnnc23)C1)N1CCCC1 ZINC000408422198 160105104 /nfs/dbraw/zinc/10/51/04/160105104.db2.gz POIWLXVNMBIVMN-GFCCVEGCSA-N 0 0 300.366 0.963 10 0 DCAERN C[C@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)[C@H]1CO ZINC000408424809 160105197 /nfs/dbraw/zinc/10/51/97/160105197.db2.gz DGASLIDGAHFDJY-GWCFXTLKSA-N 0 0 301.346 0.776 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(CC(F)F)CC1 ZINC000408427766 160106191 /nfs/dbraw/zinc/10/61/91/160106191.db2.gz RETBKJQCWWQBTF-VHSXEESVSA-N 0 0 304.341 0.246 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[S@](=O)[C@H](C)C3)C2=O)n(C)n1 ZINC000408427116 160106231 /nfs/dbraw/zinc/10/62/31/160106231.db2.gz ZPFCNQYWMDNHJS-IDFMNXDXSA-N 0 0 310.423 0.287 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408431799 160106702 /nfs/dbraw/zinc/10/67/02/160106702.db2.gz BYWYXSIRDJUOLD-GMTAPVOTSA-N 0 0 312.457 0.044 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000408435681 160107487 /nfs/dbraw/zinc/10/74/87/160107487.db2.gz ZDCDDRIBSBUKSC-OSMZGAPFSA-N 0 0 323.418 0.992 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000408435997 160107873 /nfs/dbraw/zinc/10/78/73/160107873.db2.gz SECCXZIUSJYENL-AAEUAGOBSA-N 0 0 309.391 0.746 10 0 DCAERN CCc1cnccc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408448819 160109969 /nfs/dbraw/zinc/10/99/69/160109969.db2.gz BDQGCPNPDUVZOP-HNNXBMFYSA-N 0 0 302.334 0.458 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)CCS1(=O)=O ZINC000408448562 160110106 /nfs/dbraw/zinc/11/01/06/160110106.db2.gz XEZRFJXHOAWSLJ-SNVBAGLBSA-N 0 0 323.374 0.939 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCCC[C@@H]1CC(C)C ZINC000408450169 160110977 /nfs/dbraw/zinc/11/09/77/160110977.db2.gz CVOAWRUUQYYMLE-GFCCVEGCSA-N 0 0 305.444 0.858 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408455814 160111745 /nfs/dbraw/zinc/11/17/45/160111745.db2.gz FLLMYALACPRAAH-MRXNPFEDSA-N 0 0 311.426 0.986 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@@H]([C@@H](C)O)C3)cnc2n1 ZINC000408465224 160114200 /nfs/dbraw/zinc/11/42/00/160114200.db2.gz GVBZWUSQSVJKQX-ZWNOBZJWSA-N 0 0 317.345 0.866 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](CO)[C@H]1CC ZINC000408471308 160115405 /nfs/dbraw/zinc/11/54/05/160115405.db2.gz WUVKOBOKOZHAQP-QJPTWQEYSA-N 0 0 300.424 0.917 10 0 DCAERN COc1cccc(CS(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000408473543 160116134 /nfs/dbraw/zinc/11/61/34/160116134.db2.gz UYVJRLARJSUHSV-ZWNOBZJWSA-N 0 0 312.391 0.578 10 0 DCAERN Cc1cc(NC(=O)CSCC(=O)NCc2ccnn2C)no1 ZINC000047457229 286887575 /nfs/dbraw/zinc/88/75/75/286887575.db2.gz BXMHTRWGHXHMGH-UHFFFAOYSA-N 0 0 323.378 0.705 10 0 DCAERN NC(=O)c1ccc(NC(=O)CCC(=O)NC2CCCC2)cn1 ZINC000127632872 286978633 /nfs/dbraw/zinc/97/86/33/286978633.db2.gz VTNAMBPEMOJSFG-UHFFFAOYSA-N 0 0 304.350 0.958 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)c(=O)[nH]c1C ZINC000130884838 286996975 /nfs/dbraw/zinc/99/69/75/286996975.db2.gz YOIKAHCLEIKNLA-BXKDBHETSA-N 0 0 320.393 0.906 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)[C@H](C)CO)n2)cc1 ZINC000131931618 287002993 /nfs/dbraw/zinc/00/29/93/287002993.db2.gz ZUFMCUQYMKQNLY-NEPJUHHUSA-N 0 0 303.366 0.782 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC000132297431 287005117 /nfs/dbraw/zinc/00/51/17/287005117.db2.gz SYAHMKCUKQOBKF-QWRGUYRKSA-N 0 0 307.350 0.560 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000150714560 287030498 /nfs/dbraw/zinc/03/04/98/287030498.db2.gz VWCGKHSXUOAGGU-STQMWFEESA-N 0 0 317.389 0.885 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(-c3ncon3)cc2)O1 ZINC000152312706 287040486 /nfs/dbraw/zinc/04/04/86/287040486.db2.gz XQXMNDZKVUUVFB-VXGBXAGGSA-N 0 0 316.317 0.499 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3ncon3)cc2)O1 ZINC000152312870 287040672 /nfs/dbraw/zinc/04/06/72/287040672.db2.gz XQXMNDZKVUUVFB-NEPJUHHUSA-N 0 0 316.317 0.499 10 0 DCAERN CCc1nnc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)s1 ZINC000186034695 287057391 /nfs/dbraw/zinc/05/73/91/287057391.db2.gz ZYQPSQSIJNLKJN-UHFFFAOYSA-N 0 0 302.319 0.984 10 0 DCAERN COCCn1cc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)cn1 ZINC000186810853 287057806 /nfs/dbraw/zinc/05/78/06/287057806.db2.gz ZTWKHNKSIFVTON-UHFFFAOYSA-N 0 0 314.305 0.413 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187136931 287058427 /nfs/dbraw/zinc/05/84/27/287058427.db2.gz JJUFOIZCTZRZLT-QWRGUYRKSA-N 0 0 320.397 0.548 10 0 DCAERN C[C@@H](CNC(=O)NCCCC(=O)NC1CC1)N1CCOCC1 ZINC000192784793 287059666 /nfs/dbraw/zinc/05/96/66/287059666.db2.gz RMGCRNOCFZSWGY-LBPRGKRZSA-N 0 0 312.414 0.065 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)O)cc1 ZINC000228199981 287063575 /nfs/dbraw/zinc/06/35/75/287063575.db2.gz FNUVDVCQLWRLQV-ZJUUUORDSA-N 0 0 300.380 0.484 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000245553443 287070660 /nfs/dbraw/zinc/07/06/60/287070660.db2.gz QMQCQOIIECIWCR-TUAOUCFPSA-N 0 0 306.428 0.888 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000245893153 287074154 /nfs/dbraw/zinc/07/41/54/287074154.db2.gz GXIYXTOMILLBAI-SOUVJXGZSA-N 0 0 323.437 0.757 10 0 DCAERN C[C@@H](NC(=O)CN1CCS[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000246063950 287075879 /nfs/dbraw/zinc/07/58/79/287075879.db2.gz ANKPNUFQCDEQLT-QWHCGFSZSA-N 0 0 313.467 0.941 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCO[C@H]2CCOC2)C1 ZINC000246326323 287081616 /nfs/dbraw/zinc/08/16/16/287081616.db2.gz FYESFXKCGWWTNE-OLZOCXBDSA-N 0 0 306.428 0.748 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COCc2ccco2)CCS1(=O)=O ZINC000247410967 287093697 /nfs/dbraw/zinc/09/36/97/287093697.db2.gz STCDXIAYFIVGEQ-NWDGAFQWSA-N 0 0 303.380 0.276 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220982 287091999 /nfs/dbraw/zinc/09/19/99/287091999.db2.gz VLXMTKDZDPZSJK-VXGBXAGGSA-N 0 0 303.428 0.011 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000247964098 287095480 /nfs/dbraw/zinc/09/54/80/287095480.db2.gz DGQCZWNJVPNMIO-CHWSQXEVSA-N 0 0 306.428 0.342 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)CC1 ZINC000247920041 287095673 /nfs/dbraw/zinc/09/56/73/287095673.db2.gz BQJFWVASGUHDMS-RRFJBIMHSA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248449831 287097414 /nfs/dbraw/zinc/09/74/14/287097414.db2.gz FGOSYDSRFXKSKO-VOUMKBAESA-N 0 0 316.467 0.855 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000249412974 287110216 /nfs/dbraw/zinc/11/02/16/287110216.db2.gz YIFMIQHAVVDLRG-QWHCGFSZSA-N 0 0 317.455 0.810 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)nc1C ZINC000249084642 287106360 /nfs/dbraw/zinc/10/63/60/287106360.db2.gz IJEXFQBIPDMDHQ-QWRGUYRKSA-N 0 0 306.410 0.929 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000249555326 287113916 /nfs/dbraw/zinc/11/39/16/287113916.db2.gz LUVZARLIEWUWRF-NTZNESFSSA-N 0 0 318.377 0.837 10 0 DCAERN C[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCN1CCO ZINC000249589470 287115332 /nfs/dbraw/zinc/11/53/32/287115332.db2.gz UZCCGOLGHKECNQ-QWRGUYRKSA-N 0 0 309.332 0.148 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)s1 ZINC000249472923 287111429 /nfs/dbraw/zinc/11/14/29/287111429.db2.gz SMZNBROIUWEWPG-VIFPVBQESA-N 0 0 319.452 0.447 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000249780056 287118173 /nfs/dbraw/zinc/11/81/73/287118173.db2.gz CUGYWKWPXRTCIS-KBPBESRZSA-N 0 0 311.426 0.160 10 0 DCAERN C[C@@](O)(CNC(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000358314216 287207263 /nfs/dbraw/zinc/20/72/63/287207263.db2.gz VEOMDGRFOPREIV-MRXNPFEDSA-N 0 0 313.442 0.949 10 0 DCAERN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCN2CCOC[C@@H]2C1 ZINC000375887055 287228641 /nfs/dbraw/zinc/22/86/41/287228641.db2.gz AZEPHUXCOAZESJ-HOCLYGCPSA-N 0 0 315.373 0.723 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404151852 287232491 /nfs/dbraw/zinc/23/24/91/287232491.db2.gz MNENQQCLWFXQKE-NEPJUHHUSA-N 0 0 300.355 0.577 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[S@@](=O)CC[C@@H]1C ZINC000408396283 287234119 /nfs/dbraw/zinc/23/41/19/287234119.db2.gz STHGVEOGMSXZGR-YBTHPKLGSA-N 0 0 303.428 0.311 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2ccc3c(n2)OCCO3)nn1 ZINC000618082177 412294889 /nfs/dbraw/zinc/29/48/89/412294889.db2.gz KLIRFNXKFWVFIJ-UHFFFAOYSA-N 0 0 303.278 0.286 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)Cn1cnc2ccccc2c1=O ZINC000026422845 415169956 /nfs/dbraw/zinc/16/99/56/415169956.db2.gz MEHNLZXEZITXFQ-UHFFFAOYSA-N 0 0 314.345 0.134 10 0 DCAERN CC(=O)NCCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000031240184 415183312 /nfs/dbraw/zinc/18/33/12/415183312.db2.gz BSAMTEQUCFKCPQ-UHFFFAOYSA-N 0 0 302.334 0.039 10 0 DCAERN Cc1nnc2ccc(N3CCO[C@](C)(c4cnn(C)c4)C3)nn12 ZINC000268419657 415210122 /nfs/dbraw/zinc/21/01/22/415210122.db2.gz WTTOTRJUIGIKHB-HNNXBMFYSA-N 0 0 313.365 0.918 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)cc1 ZINC000342577789 415214221 /nfs/dbraw/zinc/21/42/21/415214221.db2.gz YOOKOVZNFSRZAT-UHFFFAOYSA-N 0 0 310.375 0.966 10 0 DCAERN O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCCN(c2ncccn2)C1 ZINC000272361110 415287703 /nfs/dbraw/zinc/28/77/03/415287703.db2.gz YPLGCYGXSPQMJD-RYUDHWBXSA-N 0 0 301.350 0.872 10 0 DCAERN O=C(NCc1cscn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000051750161 415319145 /nfs/dbraw/zinc/31/91/45/415319145.db2.gz WZTSMLJQTHWVNS-LBPRGKRZSA-N 0 0 324.406 0.676 10 0 DCAERN Cc1nccc(N2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)n1 ZINC000274176797 415330516 /nfs/dbraw/zinc/33/05/16/415330516.db2.gz JCCWKIDZZYDUBI-YPMHNXCESA-N 0 0 305.382 0.794 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1C ZINC000057394675 415336225 /nfs/dbraw/zinc/33/62/25/415336225.db2.gz QALFDOHHHLPSSM-UHFFFAOYSA-N 0 0 312.391 0.904 10 0 DCAERN CCN1CCCN(C(=O)NCc2cn3c(n2)CCCC3)CC1=O ZINC000276064112 415421238 /nfs/dbraw/zinc/42/12/38/415421238.db2.gz LEELDDFCWPIMNF-UHFFFAOYSA-N 0 0 319.409 0.983 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3cncc4ncnn43)CC2)CCCO1 ZINC000275518800 415376884 /nfs/dbraw/zinc/37/68/84/415376884.db2.gz CCISAJDGYSIFHV-HNNXBMFYSA-N 0 0 316.365 0.342 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000332806773 415481744 /nfs/dbraw/zinc/48/17/44/415481744.db2.gz BFPNNNUXEMWSOO-ZRQNBYAXSA-N 0 0 320.393 0.623 10 0 DCAERN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CN1CC(=O)NC1=O ZINC000276152353 415441528 /nfs/dbraw/zinc/44/15/28/415441528.db2.gz DELZXARNXXYZEN-ZETCQYMHSA-N 0 0 307.272 0.728 10 0 DCAERN Cc1noc(CO[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 ZINC000075403299 415446686 /nfs/dbraw/zinc/44/66/86/415446686.db2.gz JLUMDRCTVNPSEE-SNVBAGLBSA-N 0 0 301.368 0.851 10 0 DCAERN C[C@@H]1C[C@@H]1Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000276203184 415448403 /nfs/dbraw/zinc/44/84/03/415448403.db2.gz JAVJUFJNIANNGS-PWSUYJOCSA-N 0 0 309.391 0.773 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC000276339977 415474799 /nfs/dbraw/zinc/47/47/99/415474799.db2.gz GCENGEIJJUCGQU-BREBYQMCSA-N 0 0 307.350 0.842 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N[C@H]3CC[S@](=O)C3)s2)cn1 ZINC000332949254 415510635 /nfs/dbraw/zinc/51/06/35/415510635.db2.gz VPOPDZFBRQIMSL-LXGOIASLSA-N 0 0 310.404 0.794 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089757652 415521559 /nfs/dbraw/zinc/52/15/59/415521559.db2.gz YMNHFKROHHNZCY-DGCLKSJQSA-N 0 0 313.361 0.993 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000333060690 415545948 /nfs/dbraw/zinc/54/59/48/415545948.db2.gz SFWXRAVPXZBTLA-BPLDGKMQSA-N 0 0 311.426 0.916 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CO[C@H](C)C3)CCO2)n1 ZINC000333080614 415550621 /nfs/dbraw/zinc/55/06/21/415550621.db2.gz QKCSERKAWQOPBN-SWHYSGLUSA-N 0 0 308.382 0.547 10 0 DCAERN COCCN1CCCN(C(=O)Nc2ncc(OC)cn2)CC1=O ZINC000333149344 415572339 /nfs/dbraw/zinc/57/23/39/415572339.db2.gz FOEAUXSTTNKLIN-UHFFFAOYSA-N 0 0 323.353 0.198 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ncc(OC)cn1)CC2 ZINC000333159351 415572384 /nfs/dbraw/zinc/57/23/84/415572384.db2.gz GYIWBBCTGBBEOW-SECBINFHSA-N 0 0 317.353 0.776 10 0 DCAERN CN1C(=O)CC[C@H](N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)C1=O ZINC000333284092 415602121 /nfs/dbraw/zinc/60/21/21/415602121.db2.gz MZWKYCWJPROZGD-WYUUTHIRSA-N 0 0 319.361 0.729 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000343572610 415643525 /nfs/dbraw/zinc/64/35/25/415643525.db2.gz ZSDZDMCNYBZTKI-STQMWFEESA-N 0 0 302.334 0.489 10 0 DCAERN O=C1CCC(=O)N1CCNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333190669 415579894 /nfs/dbraw/zinc/57/98/94/415579894.db2.gz RYOKAVIBSQXLFX-VWYCJHECSA-N 0 0 300.380 0.243 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@H](OCCO)C1 ZINC000333180170 415580387 /nfs/dbraw/zinc/58/03/87/415580387.db2.gz POZLFBIXSISNPR-RFGFWPKPSA-N 0 0 303.424 0.978 10 0 DCAERN CCCN1C[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1=O ZINC000333206717 415582133 /nfs/dbraw/zinc/58/21/33/415582133.db2.gz YZNNOLSAWANZMQ-MGPQQGTHSA-N 0 0 309.410 0.176 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1Cc1nnc2n1CCOC2 ZINC000333204719 415583624 /nfs/dbraw/zinc/58/36/24/415583624.db2.gz AHSOAYVTGRYTON-GFCCVEGCSA-N 0 0 307.398 0.641 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccnn1C ZINC000097142413 415585074 /nfs/dbraw/zinc/58/50/74/415585074.db2.gz YJJKVFCBQNISMH-JTQLQIEISA-N 0 0 324.410 0.948 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387497 415598630 /nfs/dbraw/zinc/59/86/30/415598630.db2.gz BBFPYFMEKMVTNC-ZIAGYGMSSA-N 0 0 301.350 0.503 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333453282 415653062 /nfs/dbraw/zinc/65/30/62/415653062.db2.gz ZCNOPNBRQHUEDP-LEKOTGGOSA-N 0 0 321.381 0.216 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000333469394 415659287 /nfs/dbraw/zinc/65/92/87/415659287.db2.gz NISUTZDJSTVKCC-ZJUUUORDSA-N 0 0 309.395 0.432 10 0 DCAERN CC(C)(C)c1nnc(CNC(=O)N2CCNC[C@@](C)(F)C2)[nH]1 ZINC000333524794 415673592 /nfs/dbraw/zinc/67/35/92/415673592.db2.gz HCLTYLHMIYEVIW-CQSZACIVSA-N 0 0 312.393 0.945 10 0 DCAERN CCCOc1ccc(CNC(=O)N2CCNC(=O)CC2)cn1 ZINC000107856130 415675411 /nfs/dbraw/zinc/67/54/11/415675411.db2.gz IJAKQESAJCHMCP-UHFFFAOYSA-N 0 0 306.366 0.902 10 0 DCAERN COC(=O)CCCc1nc(CN2CCN(C3CC3)CC2)no1 ZINC000111207808 415689377 /nfs/dbraw/zinc/68/93/77/415689377.db2.gz QRNUWMWPBUCTCN-UHFFFAOYSA-N 0 0 308.382 0.845 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000118994400 415734243 /nfs/dbraw/zinc/73/42/43/415734243.db2.gz OKKBVQWYGMQVKE-NWDGAFQWSA-N 0 0 312.414 0.601 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](CO)C1)CC2 ZINC000114976658 415723472 /nfs/dbraw/zinc/72/34/72/415723472.db2.gz UZXXBHWUAZRODD-NWDGAFQWSA-N 0 0 307.398 0.569 10 0 DCAERN CCCCN(CCO)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114977510 415724065 /nfs/dbraw/zinc/72/40/65/415724065.db2.gz JECZQLBVVPGWKJ-GFCCVEGCSA-N 0 0 309.414 0.959 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(CO)CC1)CC2 ZINC000114976534 415724318 /nfs/dbraw/zinc/72/43/18/415724318.db2.gz UHEHWZGMVSRGKJ-LBPRGKRZSA-N 0 0 307.398 0.569 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1)c1nc[nH]n1 ZINC000333754685 415732335 /nfs/dbraw/zinc/73/23/35/415732335.db2.gz UGYRZVVDRIEVPT-WDEREUQCSA-N 0 0 318.385 0.567 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1COc2ccccc2O1 ZINC000112659203 415712638 /nfs/dbraw/zinc/71/26/38/415712638.db2.gz GYKFEIFTRDMIHT-ZWNOBZJWSA-N 0 0 300.318 0.549 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000333770175 415736316 /nfs/dbraw/zinc/73/63/16/415736316.db2.gz RDUDDHOUHSCANF-BTTYYORXSA-N 0 0 322.409 0.165 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000120369605 415765454 /nfs/dbraw/zinc/76/54/54/415765454.db2.gz UCIASEASJLGKBX-GFCCVEGCSA-N 0 0 310.375 0.441 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](COC)C3CC3)CCO2)[nH]1 ZINC000119855927 415750855 /nfs/dbraw/zinc/75/08/55/415750855.db2.gz NASOYVLSGUJTBJ-NEPJUHHUSA-N 0 0 323.397 0.875 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000119920821 415751003 /nfs/dbraw/zinc/75/10/03/415751003.db2.gz VLKGMDKXLNWYNC-GHMZBOCLSA-N 0 0 317.345 0.847 10 0 DCAERN CN(C(=O)[C@H]1CNC(=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122421605 415831285 /nfs/dbraw/zinc/83/12/85/415831285.db2.gz DUSUNCFIKZVKHW-NEPJUHHUSA-N 0 0 303.366 0.040 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCO[C@H]3C)cc12 ZINC000121460143 415804641 /nfs/dbraw/zinc/80/46/41/415804641.db2.gz RZJYWVFLLCXNAD-CABZTGNLSA-N 0 0 310.379 0.732 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOc2ccccc2)CCS1(=O)=O ZINC000121665595 415813409 /nfs/dbraw/zinc/81/34/09/415813409.db2.gz XJJANVOGJNWVCZ-GFCCVEGCSA-N 0 0 312.391 0.894 10 0 DCAERN CN(C(=O)Cc1cnn(C)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121915828 415819678 /nfs/dbraw/zinc/81/96/78/415819678.db2.gz HEJRMGDFRAVVAA-CQSZACIVSA-N 0 0 314.393 0.880 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCCCS(N)(=O)=O ZINC000336831707 415824570 /nfs/dbraw/zinc/82/45/70/415824570.db2.gz KEQYKZNYNQAXJS-UHFFFAOYSA-N 0 0 320.440 0.634 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CC(CO)C1 ZINC000122205933 415827886 /nfs/dbraw/zinc/82/78/86/415827886.db2.gz ZHZFBTSJPVBJFO-UHFFFAOYSA-N 0 0 304.350 0.435 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1C ZINC000294219970 415869890 /nfs/dbraw/zinc/86/98/90/415869890.db2.gz RIXNTYMZRWXKLN-BDAKNGLRSA-N 0 0 302.334 0.113 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccncc1Br ZINC000344271744 415879178 /nfs/dbraw/zinc/87/91/78/415879178.db2.gz ZDJGAUKGPCIREQ-QMMMGPOBSA-N 0 0 312.123 0.379 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2ccc(F)cc2F)n1 ZINC000126699326 415879401 /nfs/dbraw/zinc/87/94/01/415879401.db2.gz DOIZMUXRQBJPOS-UHFFFAOYSA-N 0 0 311.248 0.460 10 0 DCAERN CCC(CC)(CO)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000127944519 415890768 /nfs/dbraw/zinc/89/07/68/415890768.db2.gz JZDBYSQNEBKBBW-ZDUSSCGKSA-N 0 0 301.431 0.805 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1nc2ccccc2c(=O)[nH]1 ZINC000127789335 415892827 /nfs/dbraw/zinc/89/28/27/415892827.db2.gz RYDQEPLULNVEEB-INIZCTEOSA-N 0 0 317.345 0.442 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1F ZINC000130855470 415922745 /nfs/dbraw/zinc/92/27/45/415922745.db2.gz XCAXXRVWQGLKMS-SSDOTTSWSA-N 0 0 306.297 0.584 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)Cn1nnc2ccccc2c1=O ZINC000131259571 415927566 /nfs/dbraw/zinc/92/75/66/415927566.db2.gz NAXDWNCFBHGUDJ-PHIMTYICSA-N 0 0 302.334 0.427 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2COc3ccccc32)CCS1(=O)=O ZINC000124887978 415852323 /nfs/dbraw/zinc/85/23/23/415852323.db2.gz LGLRDKAJDQPOSH-JQWIXIFHSA-N 0 0 310.375 0.949 10 0 DCAERN O=S(=O)(c1c(F)cccc1Cl)N1CCO[C@H](CO)C1 ZINC000132997408 415939521 /nfs/dbraw/zinc/93/95/21/415939521.db2.gz AKLWCPNFEKWAIP-QMMMGPOBSA-N 0 0 309.746 0.861 10 0 DCAERN COc1csc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000133109782 415941463 /nfs/dbraw/zinc/94/14/63/415941463.db2.gz NSJVORDBOIYPEW-JTQLQIEISA-N 0 0 300.380 0.180 10 0 DCAERN O=C(Nc1c(F)cc(F)cc1F)C(=O)N1CCNC(=O)CC1 ZINC000133726902 415949152 /nfs/dbraw/zinc/94/91/52/415949152.db2.gz CFJLRGZZMPLTRB-UHFFFAOYSA-N 0 0 315.251 0.391 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCc2cnn(C)c2C)cc1 ZINC000152640098 415967115 /nfs/dbraw/zinc/96/71/15/415967115.db2.gz YGFGEKMXQNEVDK-UHFFFAOYSA-N 0 0 322.390 0.567 10 0 DCAERN CC(=O)CCC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000337560935 415976722 /nfs/dbraw/zinc/97/67/22/415976722.db2.gz MUWTWRNCAQSRTL-UHFFFAOYSA-N 0 0 303.362 0.838 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000155241347 415994896 /nfs/dbraw/zinc/99/48/96/415994896.db2.gz MGAGOZOPJPRFBD-XHDPSFHLSA-N 0 0 306.366 0.512 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC)CC2 ZINC000158591119 415999876 /nfs/dbraw/zinc/99/98/76/415999876.db2.gz FVLPPALBQABTEW-MNOVXSKESA-N 0 0 320.397 0.075 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@@H](c2nccs2)C1 ZINC000132788922 415935590 /nfs/dbraw/zinc/93/55/90/415935590.db2.gz LBZMKCPMIOIJPT-LLVKDONJSA-N 0 0 319.452 0.846 10 0 DCAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCNC(=O)C1 ZINC000171945619 416042966 /nfs/dbraw/zinc/04/29/66/416042966.db2.gz OLPGQLOTGHCMPA-UHFFFAOYSA-N 0 0 323.150 0.897 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000172218148 416044359 /nfs/dbraw/zinc/04/43/59/416044359.db2.gz OLFHNJPMIMZVQL-LLVKDONJSA-N 0 0 324.381 0.491 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC000172435328 416045443 /nfs/dbraw/zinc/04/54/43/416045443.db2.gz QSWFHVOOQOKABY-STQMWFEESA-N 0 0 303.362 0.577 10 0 DCAERN CN(Cc1ccc(Cl)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000173074966 416052012 /nfs/dbraw/zinc/05/20/12/416052012.db2.gz PMHOUPTZIBZNBD-UHFFFAOYSA-N 0 0 307.741 0.689 10 0 DCAERN CC(=O)c1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000173088819 416052394 /nfs/dbraw/zinc/05/23/94/416052394.db2.gz VDGHALJTQGDHSV-UHFFFAOYSA-N 0 0 301.302 0.539 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173130180 416053805 /nfs/dbraw/zinc/05/38/05/416053805.db2.gz LKDWCAVWFLTKAH-PWSUYJOCSA-N 0 0 321.352 0.554 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173330121 416056767 /nfs/dbraw/zinc/05/67/67/416056767.db2.gz DZVCWGMSQCJQDI-ZNMIVQPWSA-N 0 0 324.421 0.899 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000173434175 416059050 /nfs/dbraw/zinc/05/90/50/416059050.db2.gz TZSJUCWHTGHGOM-LLVKDONJSA-N 0 0 303.370 0.546 10 0 DCAERN NC(=O)C[C@@H](NC(=O)Cc1cccc(O)c1)C1CCOCC1 ZINC000357304884 416060456 /nfs/dbraw/zinc/06/04/56/416060456.db2.gz MTFUWTSDCYLNIL-CQSZACIVSA-N 0 0 306.362 0.722 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000173546414 416060844 /nfs/dbraw/zinc/06/08/44/416060844.db2.gz HJULVDALQUNPQO-CHWSQXEVSA-N 0 0 321.381 0.272 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)COc2ccc(F)cc2F)C1 ZINC000345213515 416061453 /nfs/dbraw/zinc/06/14/53/416061453.db2.gz AACAMLYFNFPLED-WDEREUQCSA-N 0 0 301.289 0.952 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000173716053 416064537 /nfs/dbraw/zinc/06/45/37/416064537.db2.gz BRWKULGSANNXRC-SNVBAGLBSA-N 0 0 307.393 0.791 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000173767429 416064750 /nfs/dbraw/zinc/06/47/50/416064750.db2.gz DHVXZZTVRKRDKR-SRVKXCTJSA-N 0 0 314.411 0.421 10 0 DCAERN CCc1nnsc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173840273 416065373 /nfs/dbraw/zinc/06/53/73/416065373.db2.gz YSLQLNGCKGYGGI-ZYHUDNBSSA-N 0 0 310.423 0.893 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCCC1 ZINC000173785094 416065375 /nfs/dbraw/zinc/06/53/75/416065375.db2.gz ZGFGALRPHZECHZ-CQSZACIVSA-N 0 0 324.425 0.115 10 0 DCAERN O=c1cc(CN2CC[C@H](N3CCOCC3)C2)nc2sccn21 ZINC000173994206 416070736 /nfs/dbraw/zinc/07/07/36/416070736.db2.gz IAJDHLGNJJDFQU-ZDUSSCGKSA-N 0 0 320.418 0.663 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000357382127 416070837 /nfs/dbraw/zinc/07/08/37/416070837.db2.gz QSRGUXZLHNCWRA-RFQIPJPRSA-N 0 0 312.410 0.630 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000357382129 416070987 /nfs/dbraw/zinc/07/09/87/416070987.db2.gz QSRGUXZLHNCWRA-XDQVBPFNSA-N 0 0 312.410 0.630 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@]1(C)CCCO1 ZINC000300177017 416073296 /nfs/dbraw/zinc/07/32/96/416073296.db2.gz WQUIISQKJUHXFI-MDZLAQPJSA-N 0 0 305.396 0.817 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCN(CC(F)F)CC2)s1 ZINC000301169458 416075358 /nfs/dbraw/zinc/07/53/58/416075358.db2.gz WQLKQBUWOFEQFH-UHFFFAOYSA-N 0 0 312.367 0.178 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000174253103 416075413 /nfs/dbraw/zinc/07/54/13/416075413.db2.gz FJHVOHJNNPBUBH-GFCCVEGCSA-N 0 0 322.409 0.833 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174206558 416076325 /nfs/dbraw/zinc/07/63/25/416076325.db2.gz QHAXTOKXDIWPKF-CABCVRRESA-N 0 0 312.410 0.220 10 0 DCAERN CCS(=O)(=O)NCCNc1cncc(-n2nc(C)cc2C)n1 ZINC000301183891 416077422 /nfs/dbraw/zinc/07/74/22/416077422.db2.gz OHWLPZLFKAXILK-UHFFFAOYSA-N 0 0 324.410 0.630 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1C(N)=O ZINC000158823701 416003806 /nfs/dbraw/zinc/00/38/06/416003806.db2.gz SZNZUPYMZOMKQH-IUCAKERBSA-N 0 0 316.379 0.089 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000337764940 416007108 /nfs/dbraw/zinc/00/71/08/416007108.db2.gz GLWFHOPQOSQKIZ-KCJUWKMLSA-N 0 0 317.349 0.374 10 0 DCAERN Nc1ncncc1CNC(=O)NCc1ccccc1OCCO ZINC000356964726 416012571 /nfs/dbraw/zinc/01/25/71/416012571.db2.gz QMRZRCXVODOSGB-UHFFFAOYSA-N 0 0 317.349 0.429 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000170821858 416033548 /nfs/dbraw/zinc/03/35/48/416033548.db2.gz KJDKOLFVSSQWNQ-WFASDCNBSA-N 0 0 317.389 0.982 10 0 DCAERN CC(C)C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000174508792 416079418 /nfs/dbraw/zinc/07/94/18/416079418.db2.gz RGJXWULMOAAXRI-LSDHHAIUSA-N 0 0 313.442 0.180 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)NCCNS(C)(=O)=O)c1 ZINC000171535978 416040306 /nfs/dbraw/zinc/04/03/06/416040306.db2.gz RYMBPCNLEBNTFB-OLZOCXBDSA-N 0 0 312.391 0.464 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1nc2c(s1)CCCCC2 ZINC000171761879 416040562 /nfs/dbraw/zinc/04/05/62/416040562.db2.gz KBMCKRJYSPVOEI-UHFFFAOYSA-N 0 0 308.363 0.902 10 0 DCAERN CN1CC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)ncn2)C1=O ZINC000301339020 416081578 /nfs/dbraw/zinc/08/15/78/416081578.db2.gz DGTIERDOWDDCEO-NEPJUHHUSA-N 0 0 305.382 0.328 10 0 DCAERN NC(=O)N[C@@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000357456929 416084547 /nfs/dbraw/zinc/08/45/47/416084547.db2.gz UWGASKBEUBMNQD-SECBINFHSA-N 0 0 303.409 0.363 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)n1 ZINC000174771604 416085139 /nfs/dbraw/zinc/08/51/39/416085139.db2.gz JMLUGRXCDALKCZ-LSDHHAIUSA-N 0 0 322.409 0.058 10 0 DCAERN C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1=O ZINC000175012501 416094220 /nfs/dbraw/zinc/09/42/20/416094220.db2.gz NZFXNTUPAQBVPS-OJEWEXDKSA-N 0 0 323.437 0.016 10 0 DCAERN O=C(c1ncncc1Cl)N1CCN(c2ncccn2)CC1 ZINC000175085057 416095894 /nfs/dbraw/zinc/09/58/94/416095894.db2.gz OSELKKFJTJLPSU-UHFFFAOYSA-N 0 0 304.741 0.882 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000175117026 416096606 /nfs/dbraw/zinc/09/66/06/416096606.db2.gz PUGKLLMGJKRMKQ-QMTHXVAHSA-N 0 0 305.338 0.393 10 0 DCAERN Cc1nccn1CCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175122781 416096751 /nfs/dbraw/zinc/09/67/51/416096751.db2.gz LSVVEKRGSWZZHD-ZDUSSCGKSA-N 0 0 317.397 0.877 10 0 DCAERN O[C@@H](CNc1ncnc2c(F)cccc12)CN1CCOCC1 ZINC000302786714 416099447 /nfs/dbraw/zinc/09/94/47/416099447.db2.gz WFKXWYWURPKOHA-NSHDSACASA-N 0 0 306.341 0.874 10 0 DCAERN CCN1CN(c2ncnc3ccc(S(C)(=O)=O)cc32)CC1=O ZINC000302844071 416100396 /nfs/dbraw/zinc/10/03/96/416100396.db2.gz NGXZSCGSADYOBA-UHFFFAOYSA-N 0 0 320.374 0.659 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@H](C)C(C)C ZINC000175354264 416104437 /nfs/dbraw/zinc/10/44/37/416104437.db2.gz JSUUPDMXCRSYDJ-LBPRGKRZSA-N 0 0 308.444 0.739 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000175358468 416104590 /nfs/dbraw/zinc/10/45/90/416104590.db2.gz OEMFFZWFILKLLX-UTUOFQBUSA-N 0 0 318.395 0.911 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)CCCF)CCO2)[nH]1 ZINC000175595790 416110429 /nfs/dbraw/zinc/11/04/29/416110429.db2.gz GFEFWBSFSMLLOE-SECBINFHSA-N 0 0 306.363 0.430 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC(CO)CC3)C2)cn1 ZINC000175710025 416112453 /nfs/dbraw/zinc/11/24/53/416112453.db2.gz OGDFWVBDLVPQHL-AWEZNQCLSA-N 0 0 321.425 0.803 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000175764195 416113182 /nfs/dbraw/zinc/11/31/82/416113182.db2.gz PFJQCSGCEORRNY-GFCCVEGCSA-N 0 0 312.391 0.908 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000175855311 416114871 /nfs/dbraw/zinc/11/48/71/416114871.db2.gz MCMHXCBCMQYUKA-JTQLQIEISA-N 0 0 309.414 0.745 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000176079698 416119380 /nfs/dbraw/zinc/11/93/80/416119380.db2.gz ONXAPLYXOFLFHG-NSHDSACASA-N 0 0 324.406 0.323 10 0 DCAERN CCn1ccnc(NC[C@@H]2C[C@H](F)CN2c2cccnn2)c1=O ZINC000328625354 416122752 /nfs/dbraw/zinc/12/27/52/416122752.db2.gz DAMMLFAOZQAULS-RYUDHWBXSA-N 0 0 318.356 1.082 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)N1CCOCC1 ZINC000176396034 416126084 /nfs/dbraw/zinc/12/60/84/416126084.db2.gz QNNQZFIYMAYABD-NEPJUHHUSA-N 0 0 308.386 0.133 10 0 DCAERN COC(=O)[C@H](C)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000176447760 416126556 /nfs/dbraw/zinc/12/65/56/416126556.db2.gz HPELOFZEJSMPNF-MPKXVKKWSA-N 0 0 304.346 0.789 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C)C1 ZINC000357939633 416156580 /nfs/dbraw/zinc/15/65/80/416156580.db2.gz QZLDNAYYYHGOKD-AAEUAGOBSA-N 0 0 309.410 0.713 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000176510778 416127604 /nfs/dbraw/zinc/12/76/04/416127604.db2.gz WMLRPQDFZNDLSV-NSHDSACASA-N 0 0 322.390 0.564 10 0 DCAERN CC[C@H](O)CCNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000178099618 416156732 /nfs/dbraw/zinc/15/67/32/416156732.db2.gz ZRWHSELNHBNQFX-ZDUSSCGKSA-N 0 0 322.409 0.979 10 0 DCAERN CNC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000357788354 416132099 /nfs/dbraw/zinc/13/20/99/416132099.db2.gz GGSXBNSHZCSPTK-UHFFFAOYSA-N 0 0 311.363 0.059 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1C ZINC000176755152 416133545 /nfs/dbraw/zinc/13/35/45/416133545.db2.gz ODHSKDMJSLKZOP-NSHDSACASA-N 0 0 308.382 0.296 10 0 DCAERN C[C@@H]1CN(c2cc(=O)n3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000176702943 416133654 /nfs/dbraw/zinc/13/36/54/416133654.db2.gz SWZOEQZSLQTJPK-KGLIPLIRSA-N 0 0 314.389 0.851 10 0 DCAERN CN(CC[NH+](C)C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000176806880 416134992 /nfs/dbraw/zinc/13/49/92/416134992.db2.gz XZUYNWZGSLCZMT-UHFFFAOYSA-N 0 0 324.425 0.603 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Nc3nnc(C)s3)CCO2)[nH]1 ZINC000176963964 416138796 /nfs/dbraw/zinc/13/87/96/416138796.db2.gz UKLPXVNKPFCTKT-MRVPVSSYSA-N 0 0 309.355 0.878 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](CO)C2CCCC2)C1 ZINC000357860689 416143010 /nfs/dbraw/zinc/14/30/10/416143010.db2.gz IIVBTKBAAGWNHI-STQMWFEESA-N 0 0 312.414 0.641 10 0 DCAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)NC1CCCCC1 ZINC000177310650 416144527 /nfs/dbraw/zinc/14/45/27/416144527.db2.gz YGAXENAAGHTCPK-GFCCVEGCSA-N 0 0 320.397 0.861 10 0 DCAERN COC(=O)[C@]1(C)CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000177547581 416148527 /nfs/dbraw/zinc/14/85/27/416148527.db2.gz UHTLPDCNEGCBRB-WCQYABFASA-N 0 0 304.412 0.848 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000178155235 416157305 /nfs/dbraw/zinc/15/73/05/416157305.db2.gz XJGZUSDJGZSMQW-SMDDNHRTSA-N 0 0 306.362 0.995 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)n(C)n1 ZINC000177716813 416151334 /nfs/dbraw/zinc/15/13/34/416151334.db2.gz FNMAJADFLYWMTQ-GXTWGEPZSA-N 0 0 314.345 0.442 10 0 DCAERN O=C1[C@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171749 416155022 /nfs/dbraw/zinc/15/50/22/416155022.db2.gz KSAXVFCGPGUBKH-NWANDNLSSA-N 0 0 320.414 0.911 10 0 DCAERN O=C(CCOc1ccc(F)cc1)NC[C@H]1CN2CCN1CC2 ZINC000178660155 416167386 /nfs/dbraw/zinc/16/73/86/416167386.db2.gz LJMMCKGAFHMXNW-AWEZNQCLSA-N 0 0 307.369 0.711 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000178644572 416167799 /nfs/dbraw/zinc/16/77/99/416167799.db2.gz UMUXWOLCWYNEPJ-CQSZACIVSA-N 0 0 308.426 0.765 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)c2cnn(C)c2n1 ZINC000178645803 416168393 /nfs/dbraw/zinc/16/83/93/416168393.db2.gz CIOPKDZIENMCLM-GFCCVEGCSA-N 0 0 314.393 0.006 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCNC(=O)Cc1ccccc1)C(C)C ZINC000178706317 416169628 /nfs/dbraw/zinc/16/96/28/416169628.db2.gz AQSZXPOCBHLNTO-MRXNPFEDSA-N 0 0 319.405 0.622 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(C)C ZINC000178841866 416173509 /nfs/dbraw/zinc/17/35/09/416173509.db2.gz SXWWISQDTRPRQR-GFCCVEGCSA-N 0 0 312.391 0.591 10 0 DCAERN Cc1csc([C@H]2COCCN2C(=O)[C@H]2CCC(=O)N2C)n1 ZINC000329525159 416175186 /nfs/dbraw/zinc/17/51/86/416175186.db2.gz SNLYTJCEBZTUSC-GHMZBOCLSA-N 0 0 309.391 0.972 10 0 DCAERN O=C(CN1CCSC[C@@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329672734 416183243 /nfs/dbraw/zinc/18/32/43/416183243.db2.gz URTYUYGFKOXIPM-IHRRRGAJSA-N 0 0 314.451 0.566 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)NC[C@]1(O)CCOC1 ZINC000179512775 416187822 /nfs/dbraw/zinc/18/78/22/416187822.db2.gz RGSOCQZMILUJOO-OAHLLOKOSA-N 0 0 317.349 0.218 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000179520305 416188556 /nfs/dbraw/zinc/18/85/56/416188556.db2.gz DHLOZGYFHFJQIG-VIFPVBQESA-N 0 0 308.313 0.607 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C12CCCC2 ZINC000179513919 416189259 /nfs/dbraw/zinc/18/92/59/416189259.db2.gz QHVZZLDNIYLPOE-QWHCGFSZSA-N 0 0 322.409 0.778 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000179559434 416190487 /nfs/dbraw/zinc/19/04/87/416190487.db2.gz XLUMEQXQHGANNV-QYJAPNMZSA-N 0 0 303.424 0.819 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000179857295 416192030 /nfs/dbraw/zinc/19/20/30/416192030.db2.gz FDNXNRNDLUUGFW-KBPBESRZSA-N 0 0 312.329 0.960 10 0 DCAERN Cc1nnc([C@@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)[nH]1 ZINC000180117718 416194432 /nfs/dbraw/zinc/19/44/32/416194432.db2.gz RLNYUUOMKPQUEQ-NSHDSACASA-N 0 0 307.379 0.847 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000180269455 416195607 /nfs/dbraw/zinc/19/56/07/416195607.db2.gz QNFGHCOYOXMBOO-UZYOAWRESA-N 0 0 311.341 0.961 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)OC ZINC000358129747 416198006 /nfs/dbraw/zinc/19/80/06/416198006.db2.gz UFAGWZOZRIZOOJ-XWLWVQCSSA-N 0 0 317.386 0.165 10 0 DCAERN Cc1ccnc2c1NC(=O)CN2C(=O)Cn1nnnc1C(C)C ZINC000180865764 416200457 /nfs/dbraw/zinc/20/04/57/416200457.db2.gz BFPVBOZMRUPDRD-UHFFFAOYSA-N 0 0 315.337 0.485 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180932305 416203089 /nfs/dbraw/zinc/20/30/89/416203089.db2.gz NJNCQNCVUBSIMB-HZMBPMFUSA-N 0 0 314.345 0.820 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181384198 416206013 /nfs/dbraw/zinc/20/60/13/416206013.db2.gz QUIDWDMMNDXSEG-JTQLQIEISA-N 0 0 304.358 0.668 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181363091 416206394 /nfs/dbraw/zinc/20/63/94/416206394.db2.gz IYMPBFUJGUHDLZ-STQMWFEESA-N 0 0 322.413 0.120 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181382421 416206693 /nfs/dbraw/zinc/20/66/93/416206693.db2.gz GMACKGZDCYXCDU-WFASDCNBSA-N 0 0 315.377 0.756 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)o1 ZINC000181438973 416208528 /nfs/dbraw/zinc/20/85/28/416208528.db2.gz YKWXGDICHWMPNH-NSHDSACASA-N 0 0 318.333 0.586 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)NCc1cccnc1-n1cncn1 ZINC000182323107 416219617 /nfs/dbraw/zinc/21/96/17/416219617.db2.gz UVZBMFZXYBMQLK-NEPJUHHUSA-N 0 0 316.365 0.981 10 0 DCAERN COCc1nc(CN2CCN([C@H](C)c3nc(C)no3)CC2)no1 ZINC000182442984 416222502 /nfs/dbraw/zinc/22/25/02/416222502.db2.gz ZHSAJDDOHBURRS-SNVBAGLBSA-N 0 0 322.369 0.786 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cncn2)CC1 ZINC000183038761 416234761 /nfs/dbraw/zinc/23/47/61/416234761.db2.gz SWZJPIRPQFVILV-AWEZNQCLSA-N 0 0 307.398 0.992 10 0 DCAERN O=C(CCS(=O)(=O)C1CCCC1)NC[C@H](CO)C1CC1 ZINC000358341279 416225291 /nfs/dbraw/zinc/22/52/91/416225291.db2.gz QOYIAAYIXYZZBC-GFCCVEGCSA-N 0 0 303.424 0.869 10 0 DCAERN Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000182538918 416225952 /nfs/dbraw/zinc/22/59/52/416225952.db2.gz QCYMSMSPENKVMW-BXKDBHETSA-N 0 0 308.382 0.661 10 0 DCAERN CC1(CNC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)COC1 ZINC000182673647 416228385 /nfs/dbraw/zinc/22/83/85/416228385.db2.gz CIUGSQUXXRQFDV-CYBMUJFWSA-N 0 0 318.377 0.913 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704963 416230185 /nfs/dbraw/zinc/23/01/85/416230185.db2.gz JXYCFUBGSSPIDR-UONOGXRCSA-N 0 0 307.398 0.977 10 0 DCAERN O=C1NCC[C@@H]1N1CCN(c2ncnc3ccsc32)CC1 ZINC000178204877 416159269 /nfs/dbraw/zinc/15/92/69/416159269.db2.gz QVTTXILSAQTJEF-NSHDSACASA-N 0 0 303.391 0.702 10 0 DCAERN COCCc1cc(NC(=O)C(=O)NC[C@@H](C)C(C)C)n(C)n1 ZINC000178250449 416159420 /nfs/dbraw/zinc/15/94/20/416159420.db2.gz YCEJARBUDQSRQQ-LLVKDONJSA-N 0 0 310.398 0.956 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000183544190 416244783 /nfs/dbraw/zinc/24/47/83/416244783.db2.gz QCJWAZMDAXJNJC-WDEREUQCSA-N 0 0 310.350 0.905 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187169354 416260954 /nfs/dbraw/zinc/26/09/54/416260954.db2.gz NNJRKBLAQRCVCQ-CYBMUJFWSA-N 0 0 309.414 0.381 10 0 DCAERN C[C@H](CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C)N1CCCCC1=O ZINC000188667373 416264766 /nfs/dbraw/zinc/26/47/66/416264766.db2.gz ZDLSGLLBWYOHCO-XQQFMLRXSA-N 0 0 309.410 0.890 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)Nc1ccccc1F ZINC000189596076 416268237 /nfs/dbraw/zinc/26/82/37/416268237.db2.gz PEWRRMZPYWUTFQ-GXTWGEPZSA-N 0 0 310.325 0.763 10 0 DCAERN COCc1noc(CN2CCN(C[C@H](O)C(F)(F)F)CC2)n1 ZINC000189612531 416268584 /nfs/dbraw/zinc/26/85/84/416268584.db2.gz NCYWJWFSZUIROH-VIFPVBQESA-N 0 0 324.303 0.257 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000190011318 416274085 /nfs/dbraw/zinc/27/40/85/416274085.db2.gz DSZZIRDJSNVCAR-NWDGAFQWSA-N 0 0 304.412 0.486 10 0 DCAERN NC(=O)c1coc(CNC(=O)NCCC(=O)N2CCCCC2)c1 ZINC000190198362 416275468 /nfs/dbraw/zinc/27/54/68/416275468.db2.gz KXDPXTHMDOQJHX-UHFFFAOYSA-N 0 0 322.365 0.580 10 0 DCAERN CCc1nn(C)c(OC)c1CNS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000190393510 416277713 /nfs/dbraw/zinc/27/77/13/416277713.db2.gz WPXZJAZAPKXGBV-JOYOIKCWSA-N 0 0 317.411 0.588 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCC(c2ccncc2)CC1 ZINC000192287080 416303981 /nfs/dbraw/zinc/30/39/81/416303981.db2.gz NWNPBVDYQNJBRB-UHFFFAOYSA-N 0 0 302.334 0.339 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000192516255 416307468 /nfs/dbraw/zinc/30/74/68/416307468.db2.gz BOHJROKZAULXHA-AWEZNQCLSA-N 0 0 314.349 0.920 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1)C(N)=O ZINC000359162494 416308138 /nfs/dbraw/zinc/30/81/38/416308138.db2.gz PMUDVWCCKGQTFN-LOWDOPEQSA-N 0 0 317.393 0.604 10 0 DCAERN Cc1cc(NC(=O)C2CCN([C@H]3CC(=O)N(C)C3=O)CC2)no1 ZINC000192603545 416308502 /nfs/dbraw/zinc/30/85/02/416308502.db2.gz QJWLFVDNVKBSIB-NSHDSACASA-N 0 0 320.349 0.391 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000194024041 416322415 /nfs/dbraw/zinc/32/24/15/416322415.db2.gz NVKYNMKAFAMHDF-YRGRVCCFSA-N 0 0 318.439 0.420 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCCCCCO)C2)cn1 ZINC000193081490 416313251 /nfs/dbraw/zinc/31/32/51/416313251.db2.gz GILBGXCTFOBILX-ZDUSSCGKSA-N 0 0 309.414 0.851 10 0 DCAERN CCS(=O)(=O)C1CCN(Cc2nnnn2C(C)C)CC1 ZINC000193258723 416314111 /nfs/dbraw/zinc/31/41/11/416314111.db2.gz WIOVZHABQGXUKL-UHFFFAOYSA-N 0 0 301.416 0.653 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193925107 416320674 /nfs/dbraw/zinc/32/06/74/416320674.db2.gz YMABSJRULJEKIN-RKDXNWHRSA-N 0 0 324.768 0.786 10 0 DCAERN Cn1ncc(C(=O)NCc2cc(C(N)=O)co2)c1-n1cccc1 ZINC000190761497 416281807 /nfs/dbraw/zinc/28/18/07/416281807.db2.gz NQILTSJFIJTLNY-UHFFFAOYSA-N 0 0 313.317 0.833 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2)OC ZINC000358838110 416282053 /nfs/dbraw/zinc/28/20/53/416282053.db2.gz IHCMOUWRUFSBQA-ZDUSSCGKSA-N 0 0 322.361 0.728 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)no1 ZINC000191424148 416286847 /nfs/dbraw/zinc/28/68/47/416286847.db2.gz ITPINLYKPGOGMV-AAEUAGOBSA-N 0 0 308.382 0.837 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CCOCCOC)CCO2)cn1 ZINC000191786905 416290047 /nfs/dbraw/zinc/29/00/47/416290047.db2.gz XEQXXPSUFPGNKF-CQSZACIVSA-N 0 0 311.382 0.856 10 0 DCAERN CC(C)(O)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000191818303 416290227 /nfs/dbraw/zinc/29/02/27/416290227.db2.gz LXQUFRZKERGVHT-CQSZACIVSA-N 0 0 322.405 0.341 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(C)(C)O)CC1 ZINC000191802659 416290676 /nfs/dbraw/zinc/29/06/76/416290676.db2.gz ZRMWDMWKLUTLDR-GFCCVEGCSA-N 0 0 311.426 0.349 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC000359330548 416341433 /nfs/dbraw/zinc/34/14/33/416341433.db2.gz NELBVMPSIJFQLP-SNVBAGLBSA-N 0 0 309.370 0.270 10 0 DCAERN COCCOC1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000359478866 416347701 /nfs/dbraw/zinc/34/77/01/416347701.db2.gz FOJBITFLXQIBFJ-LBPRGKRZSA-N 0 0 306.362 0.679 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCOC1 ZINC000194431201 416323840 /nfs/dbraw/zinc/32/38/40/416323840.db2.gz NPYLBYSDSRZSDP-ZIAGYGMSSA-N 0 0 305.378 0.809 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)N1CCc2sccc2C1 ZINC000194798011 416324238 /nfs/dbraw/zinc/32/42/38/416324238.db2.gz DYMPKXRKCCUMKC-PWSUYJOCSA-N 0 0 307.419 0.747 10 0 DCAERN CCS(=O)(=O)N1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195123750 416325434 /nfs/dbraw/zinc/32/54/34/416325434.db2.gz PYMXNKJVNZUTIR-UHFFFAOYSA-N 0 0 315.443 0.406 10 0 DCAERN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1COCCN1 ZINC000237781795 416328644 /nfs/dbraw/zinc/32/86/44/416328644.db2.gz JKAAQWOMNDYHRY-MFKMUULPSA-N 0 0 311.332 0.648 10 0 DCAERN O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@@H]1COCCN1 ZINC000237909216 416329158 /nfs/dbraw/zinc/32/91/58/416329158.db2.gz KKCYFIPEKXWLPS-JKSUJKDBSA-N 0 0 319.405 0.165 10 0 DCAERN CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571255 416332008 /nfs/dbraw/zinc/33/20/08/416332008.db2.gz NZRZGVNSBNMQJP-MELADBBJSA-N 0 0 306.472 0.444 10 0 DCAERN CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H](CO)C2CC2)nn1 ZINC000359821624 416360853 /nfs/dbraw/zinc/36/08/53/416360853.db2.gz LKOXQWSUUCLCAZ-NSHDSACASA-N 0 0 308.382 0.642 10 0 DCAERN C[C@H](C(=O)NC[C@H](CO)C1CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000359819831 416360910 /nfs/dbraw/zinc/36/09/10/416360910.db2.gz IYMYNIBCEFEKGL-FMKGYKFTSA-N 0 0 322.405 0.685 10 0 DCAERN COc1ccc(CNC(=O)NC[C@H](CO)C2CC2)c(OC)n1 ZINC000360846363 416413950 /nfs/dbraw/zinc/41/39/50/416413950.db2.gz QPKOLFDOQHMJQB-GFCCVEGCSA-N 0 0 309.366 0.917 10 0 DCAERN CCCN1CCC[C@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000360205849 416379549 /nfs/dbraw/zinc/37/95/49/416379549.db2.gz FSCTZCYWKOKELU-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N2CCNC(=O)[C@H]2C)no1 ZINC000360437021 416390260 /nfs/dbraw/zinc/39/02/60/416390260.db2.gz KWWXMBSHTCTNJD-RKDXNWHRSA-N 0 0 311.342 0.197 10 0 DCAERN CN1CN(CCC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000360469313 416391980 /nfs/dbraw/zinc/39/19/80/416391980.db2.gz OJNMJFBGLHSAMS-UHFFFAOYSA-N 0 0 304.350 0.134 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)cn1 ZINC000360469367 416392077 /nfs/dbraw/zinc/39/20/77/416392077.db2.gz OVDPOMPHDMTOOQ-ZJUUUORDSA-N 0 0 323.349 0.276 10 0 DCAERN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CC(=O)N(C)C1 ZINC000360493118 416393283 /nfs/dbraw/zinc/39/32/83/416393283.db2.gz VQBQZQKBFQFRTP-NEPJUHHUSA-N 0 0 305.378 0.992 10 0 DCAERN COc1ccc([C@H](NC(=O)CN2CC(=O)N(C)C2)C2CC2)cc1 ZINC000360506238 416394090 /nfs/dbraw/zinc/39/40/90/416394090.db2.gz YMUMISDBEMSSGL-QGZVFWFLSA-N 0 0 317.389 0.994 10 0 DCAERN CO[C@](C)(C(=O)N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000360627578 416400536 /nfs/dbraw/zinc/40/05/36/416400536.db2.gz LZCGJIZEBAXHSB-AWEZNQCLSA-N 0 0 318.439 0.589 10 0 DCAERN Cn1nncc1CNC(=O)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000360668995 416402503 /nfs/dbraw/zinc/40/25/03/416402503.db2.gz DYFYUJBEFOUPFR-UHFFFAOYSA-N 0 0 319.287 0.232 10 0 DCAERN CCOCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807536 416411733 /nfs/dbraw/zinc/41/17/33/416411733.db2.gz VQKBFRBKWXICTA-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1CC(=O)NC(=O)NC1CC1 ZINC000532888299 416462899 /nfs/dbraw/zinc/46/28/99/416462899.db2.gz QIWLLPPKBNKCFS-ZDUSSCGKSA-N 0 0 305.382 0.935 10 0 DCAERN CN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000583615096 416477322 /nfs/dbraw/zinc/47/73/22/416477322.db2.gz PVXICSCHWCELEX-OLZOCXBDSA-N 0 0 307.398 0.977 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000458555038 416480171 /nfs/dbraw/zinc/48/01/71/416480171.db2.gz YBAIRFMBUDTYTA-CMPLNLGQSA-N 0 0 321.381 0.951 10 0 DCAERN CN(C)c1noc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583620215 416480259 /nfs/dbraw/zinc/48/02/59/416480259.db2.gz ZTVCWWMJBMJQNL-RISCZKNCSA-N 0 0 316.365 0.592 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](CC)C(C)(C)O)C1 ZINC000458552278 416480640 /nfs/dbraw/zinc/48/06/40/416480640.db2.gz VTRWAXDFXFHIAG-QWRGUYRKSA-N 0 0 300.403 0.639 10 0 DCAERN CC(C)C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361132415 416422546 /nfs/dbraw/zinc/42/25/46/416422546.db2.gz PLWMPVWCXFINJY-STQMWFEESA-N 0 0 300.399 0.537 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000361205122 416425784 /nfs/dbraw/zinc/42/57/84/416425784.db2.gz PVCAXPSYWFCUJV-UMSGYPCISA-N 0 0 313.398 0.489 10 0 DCAERN C[S@@](=O)CCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361210053 416426426 /nfs/dbraw/zinc/42/64/26/416426426.db2.gz XFQLSPLNQQJSCM-CFMSYZGJSA-N 0 0 316.345 0.854 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC(F)F ZINC000361386044 416433208 /nfs/dbraw/zinc/43/32/08/416433208.db2.gz VVXWZAQCZZEENO-SECBINFHSA-N 0 0 313.304 0.302 10 0 DCAERN Cc1cc(C)n(CC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n1 ZINC000361533015 416445344 /nfs/dbraw/zinc/44/53/44/416445344.db2.gz JSAYCWCEYXAGQC-HNNXBMFYSA-N 0 0 311.382 0.709 10 0 DCAERN Cc1nnc([C@H](C)NC(=O)C(=O)N2CCOCC3(CC3)C2)s1 ZINC000582206361 416447082 /nfs/dbraw/zinc/44/70/82/416447082.db2.gz AGNDKFXOPCAJKM-VIFPVBQESA-N 0 0 324.406 0.663 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccc(N(C)C)nc1)S(C)(=O)=O ZINC000532811459 416458905 /nfs/dbraw/zinc/45/89/05/416458905.db2.gz MEMOQIBEEGSWGN-VIFPVBQESA-N 0 0 300.384 0.702 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)n1 ZINC000361912913 416522463 /nfs/dbraw/zinc/52/24/63/416522463.db2.gz SWOVACLYMFOFQP-VIFPVBQESA-N 0 0 318.324 0.610 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000535701584 416523046 /nfs/dbraw/zinc/52/30/46/416523046.db2.gz PREGOIKPTIFWJJ-NSHDSACASA-N 0 0 320.349 0.410 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361929546 416523174 /nfs/dbraw/zinc/52/31/74/416523174.db2.gz YRPBWAOLNQCRIY-ISALQUGTSA-N 0 0 308.382 0.925 10 0 DCAERN COc1nc(NC[C@H](O)C(F)F)nc(N2CCCCCC2)n1 ZINC000435605583 416525486 /nfs/dbraw/zinc/52/54/86/416525486.db2.gz SOQNCWJNCOLCQU-VIFPVBQESA-N 0 0 317.340 0.720 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C)C[C@@H]1C ZINC000361934894 416526615 /nfs/dbraw/zinc/52/66/15/416526615.db2.gz FNUMQUJZFQQECR-NSHDSACASA-N 0 0 307.398 0.645 10 0 DCAERN COc1ccccc1OCCNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000536517772 416540973 /nfs/dbraw/zinc/54/09/73/416540973.db2.gz XVLZUJYUXXPRKN-LLVKDONJSA-N 0 0 322.365 0.526 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)N[C@H]2CC[C@H](OC)C2)cc1C ZINC000471931529 416551353 /nfs/dbraw/zinc/55/13/53/416551353.db2.gz KUHTYKNJNFAXHK-QWRGUYRKSA-N 0 0 309.370 0.627 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000535023068 416513585 /nfs/dbraw/zinc/51/35/85/416513585.db2.gz LDPOOQJWTHBGGU-CABCVRRESA-N 0 0 321.425 0.863 10 0 DCAERN Cc1nc(CN(C)CC(=O)NC[C@@H]2Cc3ccccc3O2)no1 ZINC000541026015 416601957 /nfs/dbraw/zinc/60/19/57/416601957.db2.gz HATLITWVNWDAPG-ZDUSSCGKSA-N 0 0 316.361 0.930 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)cc1O ZINC000436716762 416567324 /nfs/dbraw/zinc/56/73/24/416567324.db2.gz QWWRIGPSFMMNGG-QWRGUYRKSA-N 0 0 322.361 0.887 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(OC)n1 ZINC000362658590 416568684 /nfs/dbraw/zinc/56/86/84/416568684.db2.gz RSCZSOGPIBCYOJ-NXEZZACHSA-N 0 0 310.354 0.662 10 0 DCAERN Cn1ncc(Br)c1CNc1nc2ncccn2n1 ZINC000362643991 416569303 /nfs/dbraw/zinc/56/93/03/416569303.db2.gz OYQKEXHXXJRMLM-UHFFFAOYSA-N 0 0 308.143 1.232 10 0 DCAERN Cc1ccc(-c2noc(CN3CC[C@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062260 416587087 /nfs/dbraw/zinc/58/70/87/416587087.db2.gz QZKHXOUSOHOIGR-LBPRGKRZSA-N 0 0 322.390 0.908 10 0 DCAERN C[C@H]1CN([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588041 416588642 /nfs/dbraw/zinc/58/86/42/416588642.db2.gz OLMKZJCWGGOELO-BBRMVZONSA-N 0 0 303.406 0.938 10 0 DCAERN C[C@@H](O)CNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441748441 416679226 /nfs/dbraw/zinc/67/92/26/416679226.db2.gz DOFAXTLXYJLMDQ-SNVBAGLBSA-N 0 0 304.354 0.836 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCNC(=O)CC2)s1 ZINC000439598479 416616849 /nfs/dbraw/zinc/61/68/49/416616849.db2.gz SPTMEOXRCKJROS-UHFFFAOYSA-N 0 0 310.379 0.301 10 0 DCAERN O=C(c1c[nH]nc1-c1cccnc1)N1CCN2CCOC[C@H]2C1 ZINC000542684962 416628469 /nfs/dbraw/zinc/62/84/69/416628469.db2.gz LCKBAMBIDPPUEL-CYBMUJFWSA-N 0 0 313.361 0.628 10 0 DCAERN CC(C)(O)CN(C(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C1CC1 ZINC000441964767 416683530 /nfs/dbraw/zinc/68/35/30/416683530.db2.gz JACTYKALNNWZSG-UHFFFAOYSA-N 0 0 323.397 0.734 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ncc(C)s2)[C@@H](C)C1 ZINC000440577935 416640268 /nfs/dbraw/zinc/64/02/68/416640268.db2.gz LVZCVWWZUMGOJD-QMMMGPOBSA-N 0 0 310.379 0.469 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N(C)CCCO)c1 ZINC000440920960 416654372 /nfs/dbraw/zinc/65/43/72/416654372.db2.gz JVRMHFJQRCFHPC-UHFFFAOYSA-N 0 0 301.368 0.441 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1nnc2ccccn21 ZINC000441209564 416664784 /nfs/dbraw/zinc/66/47/84/416664784.db2.gz SCXCSMGJWIMICH-ZJUUUORDSA-N 0 0 302.338 0.196 10 0 DCAERN COc1cccc(CCNC(=O)NCC(=O)N2CCCCC2)n1 ZINC000441240790 416666620 /nfs/dbraw/zinc/66/66/20/416666620.db2.gz RHVKAVIFLAEWLZ-UHFFFAOYSA-N 0 0 320.393 0.944 10 0 DCAERN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cn2cccnc2n1 ZINC000545203331 416667223 /nfs/dbraw/zinc/66/72/23/416667223.db2.gz MOVSFSISRXKSCF-SSDOTTSWSA-N 0 0 316.239 0.953 10 0 DCAERN CCc1nc(C(C)(C)NC[C@H](O)CO[C@@H](C)COC)no1 ZINC000441260107 416667510 /nfs/dbraw/zinc/66/75/10/416667510.db2.gz GGELZMWNXAZFDV-QWRGUYRKSA-N 0 0 301.387 0.869 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000545216763 416667604 /nfs/dbraw/zinc/66/76/04/416667604.db2.gz KDQZNIHRAVBNLF-GBJTYRQASA-N 0 0 303.399 0.015 10 0 DCAERN O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC12CCC2 ZINC000441517097 416673665 /nfs/dbraw/zinc/67/36/65/416673665.db2.gz PMWRMMPDYFJNER-UHFFFAOYSA-N 0 0 316.283 1.539 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@H](O)C2CCOCC2)n1 ZINC000441479831 416674285 /nfs/dbraw/zinc/67/42/85/416674285.db2.gz RDHFXSRXUPPPCI-AWEZNQCLSA-N 0 0 323.393 0.719 10 0 DCAERN COCc1cncc(C(=O)Nc2ccn(CC(=O)OC)n2)c1 ZINC000613180822 416674956 /nfs/dbraw/zinc/67/49/56/416674956.db2.gz GVCASMOVLXCYES-UHFFFAOYSA-N 0 0 304.306 0.850 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)Nc2c3c(nn2C)CCC3)O1 ZINC000623081164 416741432 /nfs/dbraw/zinc/74/14/32/416741432.db2.gz QWBFDLICGXMXOU-NEPJUHHUSA-N 0 0 306.366 0.483 10 0 DCAERN CNC(=O)c1cccc(NC(=O)C(=O)N(C)CCCO)c1C ZINC000443266683 416745878 /nfs/dbraw/zinc/74/58/78/416745878.db2.gz ITCWVKYVHRECJH-UHFFFAOYSA-N 0 0 307.350 0.134 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccccc1OCCO ZINC000442144318 416687556 /nfs/dbraw/zinc/68/75/56/416687556.db2.gz DQJRSKOZGRYCAP-AAEUAGOBSA-N 0 0 321.377 0.524 10 0 DCAERN CCc1ncsc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442412508 416693439 /nfs/dbraw/zinc/69/34/39/416693439.db2.gz RJJVLGZLGSMBJI-UHFFFAOYSA-N 0 0 309.351 0.994 10 0 DCAERN C[C@@H](O)CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)CO ZINC000443348410 416753746 /nfs/dbraw/zinc/75/37/46/416753746.db2.gz RCSGVJFFTLCUCH-GHMZBOCLSA-N 0 0 310.350 0.417 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2ccc(C(N)=O)nc2)no1 ZINC000443360741 416753928 /nfs/dbraw/zinc/75/39/28/416753928.db2.gz MAYNJWHAPGAKDZ-UHFFFAOYSA-N 0 0 303.322 0.791 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)c2ccn(C)n2)(C(=O)OC)C1(C)C ZINC000614903915 416722826 /nfs/dbraw/zinc/72/28/26/416722826.db2.gz HYWFLAWVWWDCFP-ABAIWWIYSA-N 0 0 309.366 0.897 10 0 DCAERN Cn1ccc(CNC(=O)Nc2ccc(N3CCOCC3)cn2)n1 ZINC000516388391 416723169 /nfs/dbraw/zinc/72/31/69/416723169.db2.gz KPTIZDTWKJVYFC-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC(C2CCOCC2)CC1 ZINC000369140720 416727310 /nfs/dbraw/zinc/72/73/10/416727310.db2.gz VBKJTJBTVAHFTJ-UHFFFAOYSA-N 0 0 310.394 0.510 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000369173574 416730468 /nfs/dbraw/zinc/73/04/68/416730468.db2.gz IVEUJGZKGGEOHT-IRCOFANPSA-N 0 0 309.366 0.248 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557385092 416732666 /nfs/dbraw/zinc/73/26/66/416732666.db2.gz WUEJESOXUGWFGT-UHFFFAOYSA-N 0 0 318.333 0.588 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000614990182 416734486 /nfs/dbraw/zinc/73/44/86/416734486.db2.gz URBORDOFSCTTTB-GFCCVEGCSA-N 0 0 320.397 0.494 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CCO1 ZINC000517775384 416823813 /nfs/dbraw/zinc/82/38/13/416823813.db2.gz SNWQKIXKZRGPFE-ILXRZTDVSA-N 0 0 324.421 0.944 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000558372622 416767850 /nfs/dbraw/zinc/76/78/50/416767850.db2.gz INSQKLQVWMCEBY-GRYCIOLGSA-N 0 0 306.366 0.067 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC(CN2CCOCC2)C1 ZINC000615146904 416773863 /nfs/dbraw/zinc/77/38/63/416773863.db2.gz XESLDAVDWINYGP-OAHLLOKOSA-N 0 0 309.410 0.178 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCc3ncnn3C2)no1 ZINC000517117048 416780320 /nfs/dbraw/zinc/78/03/20/416780320.db2.gz LOAWZPBUECCKBJ-SECBINFHSA-N 0 0 319.369 0.773 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623276485 416791339 /nfs/dbraw/zinc/79/13/39/416791339.db2.gz CGFZAYQGWHDKDA-GJZGRUSLSA-N 0 0 315.373 0.827 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@@H]21 ZINC000426991310 416792148 /nfs/dbraw/zinc/79/21/48/416792148.db2.gz PQDSYBOZAWQPIG-GOEBONIOSA-N 0 0 313.357 0.683 10 0 DCAERN COC(=O)CCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000369606870 416802987 /nfs/dbraw/zinc/80/29/87/416802987.db2.gz IPLWNMPREAIKAL-UHFFFAOYSA-N 0 0 321.381 0.652 10 0 DCAERN CCO[C@H]1C[C@@](NCCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762173 416871024 /nfs/dbraw/zinc/87/10/24/416871024.db2.gz YTOUJWXAWQDNQX-XHDPSFHLSA-N 0 0 300.399 0.801 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cnn(CC)c1 ZINC000560104030 416831719 /nfs/dbraw/zinc/83/17/19/416831719.db2.gz YVGZLXCKHIVOSF-WDEREUQCSA-N 0 0 324.381 0.018 10 0 DCAERN CCNC(=O)CC(=O)N[C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444545073 416847505 /nfs/dbraw/zinc/84/75/05/416847505.db2.gz HUSFKMBLGJHHOB-ZUZCIYMTSA-N 0 0 314.382 0.376 10 0 DCAERN CC(=O)N1CCCN(C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000370536467 416898567 /nfs/dbraw/zinc/89/85/67/416898567.db2.gz SWHCAFNKQVEVOC-UHFFFAOYSA-N 0 0 321.381 1.350 10 0 DCAERN O=C([C@H]1CCc2nnnn2CC1)N1CCOCC2(CCC2)C1 ZINC000565078690 416920195 /nfs/dbraw/zinc/92/01/95/416920195.db2.gz KGQVSHXFKBQIFP-LBPRGKRZSA-N 0 0 305.382 0.655 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000375867372 417014664 /nfs/dbraw/zinc/01/46/64/417014664.db2.gz FVZXVXBURWLFDZ-OQMKEHIESA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616360321 417027240 /nfs/dbraw/zinc/02/72/40/417027240.db2.gz ONQBTBWRXCENLW-ZFWWWQNUSA-N 0 0 315.373 0.749 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CCOc3cccc(F)c3C2)n1 ZINC000374938110 416992303 /nfs/dbraw/zinc/99/23/03/416992303.db2.gz SRRIXEUMLIAVLJ-UHFFFAOYSA-N 0 0 318.308 0.919 10 0 DCAERN O=C([C@H]1CCCC12OCCO2)N1CCC[C@@H]1CN1CCOCC1 ZINC000375103558 416997346 /nfs/dbraw/zinc/99/73/46/416997346.db2.gz XNPBTMCZFVIISJ-HUUCEWRRSA-N 0 0 324.421 0.853 10 0 DCAERN Cc1cc(C2(C(=O)N3CCCNC(=O)[C@H]3C)CCOCC2)on1 ZINC000637155106 417013916 /nfs/dbraw/zinc/01/39/16/417013916.db2.gz WGYDVKJVOJCGLS-GFCCVEGCSA-N 0 0 321.377 0.768 10 0 DCAERN CCS(=O)(=O)NCCNc1nc(C(=O)OC)c(C)s1 ZINC000390299449 417101463 /nfs/dbraw/zinc/10/14/63/417101463.db2.gz ZEMHQSGEHRILCH-UHFFFAOYSA-N 0 0 307.397 0.589 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000448840220 417102169 /nfs/dbraw/zinc/10/21/69/417102169.db2.gz JDZBPNIOTNUZRY-ZDUSSCGKSA-N 0 0 322.434 0.699 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)NCc2nnc(C3CCC3)n2C)C1 ZINC000522051671 417042898 /nfs/dbraw/zinc/04/28/98/417042898.db2.gz DZRVWCGBCPYGNJ-LLVKDONJSA-N 0 0 319.409 0.957 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN([C@H](C)C(=O)NC(N)=O)CC2 ZINC000378261366 417076282 /nfs/dbraw/zinc/07/62/82/417076282.db2.gz BJUZTOORWGVHEJ-SNVBAGLBSA-N 0 0 303.362 0.873 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOCC[C@H]1c1cn[nH]n1 ZINC000616599052 417083223 /nfs/dbraw/zinc/08/32/23/417083223.db2.gz WOTUDMINTGXWEW-ZDUSSCGKSA-N 0 0 308.363 0.957 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616596097 417083252 /nfs/dbraw/zinc/08/32/52/417083252.db2.gz YAUWKTBBUHOZDL-LBPRGKRZSA-N 0 0 308.363 0.249 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](Nc2cc[nH]n2)C1 ZINC000616596198 417084536 /nfs/dbraw/zinc/08/45/36/417084536.db2.gz ZVACYVDLQJGZBQ-GFCCVEGCSA-N 0 0 322.390 0.911 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@H](Nc2cc[nH]n2)C1 ZINC000616643944 417087122 /nfs/dbraw/zinc/08/71/22/417087122.db2.gz JZQNJZCNLRPGHM-ZDUSSCGKSA-N 0 0 308.363 0.869 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2nnc[nH]2)C1 ZINC000616664253 417089631 /nfs/dbraw/zinc/08/96/31/417089631.db2.gz RSZLXYTXEATSCK-LLVKDONJSA-N 0 0 311.386 0.745 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000524579846 417110876 /nfs/dbraw/zinc/11/08/76/417110876.db2.gz AAAREZBZPGVIHG-NSHDSACASA-N 0 0 310.350 0.468 10 0 DCAERN CN1CCO[C@@H](C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000568346515 417122703 /nfs/dbraw/zinc/12/27/03/417122703.db2.gz LYIIBOQXDANDSW-CQSZACIVSA-N 0 0 301.346 0.808 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408031381 417131980 /nfs/dbraw/zinc/13/19/80/417131980.db2.gz MOYJOUOXZAZXEU-AWEZNQCLSA-N 0 0 318.439 0.566 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC000525219407 417130292 /nfs/dbraw/zinc/13/02/92/417130292.db2.gz UBFQRJKAMCEROB-NSHDSACASA-N 0 0 315.333 0.688 10 0 DCAERN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CCO1 ZINC000408061769 417136194 /nfs/dbraw/zinc/13/61/94/417136194.db2.gz GBDXSIPFLWITFY-OSFYFWSMSA-N 0 0 312.410 0.929 10 0 DCAERN CC(C)NC(=O)CCN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000408426013 417160731 /nfs/dbraw/zinc/16/07/31/417160731.db2.gz QORHCLJJXMGBLK-CHWSQXEVSA-N 0 0 302.440 0.943 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000408443517 417162154 /nfs/dbraw/zinc/16/21/54/417162154.db2.gz QBZNZBBUCZSOJK-MLGOLLRUSA-N 0 0 320.393 0.909 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)C1=O ZINC000408253984 417152501 /nfs/dbraw/zinc/15/25/01/417152501.db2.gz BEDIJYUBMAOYMM-UPJWGTAASA-N 0 0 324.425 0.729 10 0 DCAERN COC(=O)C1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000408289101 417154348 /nfs/dbraw/zinc/15/43/48/417154348.db2.gz BWXNKIIDHBBPTR-DABQJJPHSA-N 0 0 312.410 0.632 10 0 DCAERN CC(=O)N1CCCc2cc(NC(=O)NC[C@](C)(O)CO)ccc21 ZINC000432008665 417156312 /nfs/dbraw/zinc/15/63/12/417156312.db2.gz RKYHHBKKQJHTDG-INIZCTEOSA-N 0 0 321.377 0.851 10 0 DCAERN CC(=O)N1CC[C@H](Nc2ccc3nnc(C(C)(C)C)n3n2)C1 ZINC000408335007 417156471 /nfs/dbraw/zinc/15/64/71/417156471.db2.gz RTICBGYEMYWNJF-NSHDSACASA-N 0 0 302.382 1.455 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000408332301 417156865 /nfs/dbraw/zinc/15/68/65/417156865.db2.gz RLWZNIDOMFGOPJ-UWVGGRQHSA-N 0 0 311.411 0.584 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC000408394520 417158281 /nfs/dbraw/zinc/15/82/81/417158281.db2.gz KVUVTIHVCVHMQM-NEPJUHHUSA-N 0 0 313.423 0.975 10 0 DCAERN O=S1(=O)CC[C@@H](CN2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400098 417159214 /nfs/dbraw/zinc/15/92/14/417159214.db2.gz OMZWAHPIDFBQCA-VHSXEESVSA-N 0 0 301.330 0.810 10 0 DCAERN CCc1ccnc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000437738282 287363167 /nfs/dbraw/zinc/36/31/67/287363167.db2.gz RJTCKVBICRJOBT-QGZVFWFLSA-N 0 0 315.373 0.873 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000617267529 417191574 /nfs/dbraw/zinc/19/15/74/417191574.db2.gz PQTQEHZBDNMZRB-KGLIPLIRSA-N 0 0 305.382 0.385 10 0 DCAERN Cc1cc(CCNC(=O)N2CCN(c3ncccn3)CC2)on1 ZINC000568899360 417194724 /nfs/dbraw/zinc/19/47/24/417194724.db2.gz RHOGFKBWXDVXBP-UHFFFAOYSA-N 0 0 316.365 0.847 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCn2nccc21 ZINC000626987723 417199145 /nfs/dbraw/zinc/19/91/45/417199145.db2.gz OXHVWNHRVIWRND-UHFFFAOYSA-N 0 0 321.381 0.039 10 0 DCAERN CCS(=O)(=O)N1CCC(Nc2nnc(C(C)C)o2)CC1 ZINC000450241210 417209674 /nfs/dbraw/zinc/20/96/74/417209674.db2.gz INVOICOYSMWIEX-UHFFFAOYSA-N 0 0 302.400 1.419 10 0 DCAERN C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ncn(C)n1 ZINC000527083570 417210392 /nfs/dbraw/zinc/21/03/92/417210392.db2.gz UTSLUHOOFDKTNO-NSHDSACASA-N 0 0 311.349 0.951 10 0 DCAERN CNc1nc(NCC(=O)NCC(F)(F)F)nc2ccccc21 ZINC000450285731 417211814 /nfs/dbraw/zinc/21/18/14/417211814.db2.gz MHMUGJJSSRKIIT-UHFFFAOYSA-N 0 0 313.283 0.606 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000408458691 417163324 /nfs/dbraw/zinc/16/33/24/417163324.db2.gz GMTHSSLYJFNYSV-STQMWFEESA-N 0 0 311.407 0.484 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)c2cccc(F)c2)C1 ZINC000414217690 417265330 /nfs/dbraw/zinc/26/53/30/417265330.db2.gz CBHAVDCIJKXTCY-JTQLQIEISA-N 0 0 321.395 0.881 10 0 DCAERN CC[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(F)F ZINC000451078132 417298494 /nfs/dbraw/zinc/29/84/94/417298494.db2.gz DZHLPJJKKUOELI-QMMMGPOBSA-N 0 0 309.338 0.707 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)CC12COC2 ZINC000451125059 417301549 /nfs/dbraw/zinc/30/15/49/417301549.db2.gz KDFBPHNNHKVMDR-STQMWFEESA-N 0 0 312.410 0.659 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000633171294 417384247 /nfs/dbraw/zinc/38/42/47/417384247.db2.gz HDINEHNXRNDPAQ-UGFHNGPFSA-N 0 0 317.389 0.771 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000633267538 417398516 /nfs/dbraw/zinc/39/85/16/417398516.db2.gz QFLHBWXPWPYKPU-YJNKXOJESA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(=O)[nH]c1 ZINC000627413594 417400025 /nfs/dbraw/zinc/40/00/25/417400025.db2.gz RAKGRBZWFJPMEU-UHFFFAOYSA-N 0 0 322.365 0.535 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000528638262 417371144 /nfs/dbraw/zinc/37/11/44/417371144.db2.gz ZJJXTGNKCKUHOA-FZZIBODNSA-N 0 0 319.361 0.137 10 0 DCAERN Cc1nnc(CN2CCCc3c(OCC(N)=O)cccc32)[nH]1 ZINC000451678911 417381296 /nfs/dbraw/zinc/38/12/96/417381296.db2.gz IZVYKYFKNRMNMM-UHFFFAOYSA-N 0 0 301.350 0.930 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@](C)(O)C2CCC2)CC12COC2 ZINC000452613207 417492366 /nfs/dbraw/zinc/49/23/66/417492366.db2.gz MRNSZAVNVUGBET-WFASDCNBSA-N 0 0 311.378 0.576 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ncccc2F)CC12COC2 ZINC000452614347 417493522 /nfs/dbraw/zinc/49/35/22/417493522.db2.gz PNDUZDVSZQFCJA-LLVKDONJSA-N 0 0 322.336 0.801 10 0 DCAERN COCC(=O)N1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000574970675 417495330 /nfs/dbraw/zinc/49/53/30/417495330.db2.gz ODHDJOYCAHTVLU-UHFFFAOYSA-N 0 0 313.398 0.303 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452058973 417437717 /nfs/dbraw/zinc/43/77/17/417437717.db2.gz NYJHDAZYBYLVFP-VXGBXAGGSA-N 0 0 318.443 0.451 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC12COC2 ZINC000452258823 417462693 /nfs/dbraw/zinc/46/26/93/417462693.db2.gz IVHXRDCJDQIWHG-AWEZNQCLSA-N 0 0 324.421 0.756 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cncc(O)c2)CC12COC2 ZINC000452264968 417463044 /nfs/dbraw/zinc/46/30/44/417463044.db2.gz PIKQYRQBUXXAHJ-LBPRGKRZSA-N 0 0 306.318 0.439 10 0 DCAERN CN(C)C(=O)Cn1ccc(NC(=O)NCCOCC2CCC2)n1 ZINC000573416256 417472101 /nfs/dbraw/zinc/47/21/01/417472101.db2.gz SMKYJZLQWRAMTG-UHFFFAOYSA-N 0 0 323.397 0.910 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)CN1CCCC[C@H](O)C1=O ZINC000644335368 417540858 /nfs/dbraw/zinc/54/08/58/417540858.db2.gz CAYWQWXDDOYREA-HNNXBMFYSA-N 0 0 318.373 0.958 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000529780016 417507965 /nfs/dbraw/zinc/50/79/65/417507965.db2.gz JBAZLPVJONENOP-QKCSRTOESA-N 0 0 320.345 0.104 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000453738173 417528214 /nfs/dbraw/zinc/52/82/14/417528214.db2.gz MKYUGEMVOORNHP-RYUDHWBXSA-N 0 0 321.377 0.957 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000530467655 417578416 /nfs/dbraw/zinc/57/84/16/417578416.db2.gz JOHPCVLFZFNWLC-GRYCIOLGSA-N 0 0 319.423 0.652 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(C)(F)F ZINC000454866586 417582821 /nfs/dbraw/zinc/58/28/21/417582821.db2.gz CCZOGHWCWVHWFQ-BDAKNGLRSA-N 0 0 323.340 0.787 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](CC)C(F)F ZINC000454874640 417583944 /nfs/dbraw/zinc/58/39/44/417583944.db2.gz LINCZALLIYVTNX-HRDYMLBCSA-N 0 0 323.340 0.786 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000644459738 417585464 /nfs/dbraw/zinc/58/54/64/417585464.db2.gz SXGNNTQHIHELGI-GFCCVEGCSA-N 0 0 308.382 0.855 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)on1 ZINC000576182198 417588487 /nfs/dbraw/zinc/58/84/87/417588487.db2.gz XIOSOKREBRUTTL-WDEREUQCSA-N 0 0 315.395 0.743 10 0 DCAERN COc1cccc2c1CCN(C(=O)Nc1ncn(C)n1)CC2 ZINC000455585964 417611649 /nfs/dbraw/zinc/61/16/49/417611649.db2.gz PEPPQEHXEJQVHD-UHFFFAOYSA-N 0 0 301.350 1.456 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)C1 ZINC000454686522 417575215 /nfs/dbraw/zinc/57/52/15/417575215.db2.gz UEVVDMXEHJPKIS-NSHDSACASA-N 0 0 314.430 0.887 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@](C)(COC)C2)C1 ZINC000454673679 417575553 /nfs/dbraw/zinc/57/55/53/417575553.db2.gz JSPTUTSPYKSMAS-WFASDCNBSA-N 0 0 312.414 0.858 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000628131084 417577224 /nfs/dbraw/zinc/57/72/24/417577224.db2.gz QZGDHBKWTSDFRZ-VXGBXAGGSA-N 0 0 309.410 0.664 10 0 DCAERN C[C@H]1CN(Cc2cccc3c2OCCCO3)C[C@H](C(N)=O)O1 ZINC000628419874 417619714 /nfs/dbraw/zinc/61/97/14/417619714.db2.gz GAZWUDJDEBXMJQ-SMDDNHRTSA-N 0 0 306.362 0.923 10 0 DCAERN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)[C@@H](C)O ZINC000456189261 417632130 /nfs/dbraw/zinc/63/21/30/417632130.db2.gz KDWKQUDGEIBDPB-SKDRFNHKSA-N 0 0 300.380 0.484 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1nc(C2CC2)cs1 ZINC000531716238 417635943 /nfs/dbraw/zinc/63/59/43/417635943.db2.gz FGRMUYNYKBRYBM-UHFFFAOYSA-N 0 0 307.383 0.886 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531812038 417641450 /nfs/dbraw/zinc/64/14/50/417641450.db2.gz ACQKWXZWIWZKDH-NSHDSACASA-N 0 0 320.397 0.350 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000531911531 417648889 /nfs/dbraw/zinc/64/88/89/417648889.db2.gz KUMWYDLRBZZCJV-GFCCVEGCSA-N 0 0 305.444 0.906 10 0 DCAERN COC(=O)CN(C[C@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000531888875 417649231 /nfs/dbraw/zinc/64/92/31/417649231.db2.gz CXMHWYQJDHJAAO-LSDHHAIUSA-N 0 0 315.410 0.961 10 0 DCAERN Cn1cc(Br)cc1C(=O)N[C@H]1CCOC[C@H]1O ZINC000629228159 417762294 /nfs/dbraw/zinc/76/22/94/417762294.db2.gz ORSCSASWCDXUEY-WCBMZHEXSA-N 0 0 303.156 0.667 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)(C)C ZINC000443200964 287414453 /nfs/dbraw/zinc/41/44/53/287414453.db2.gz UPUSZMSFISVUBT-ZJUUUORDSA-N 0 0 322.427 0.408 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)CN(C)C(C)=O)(C(=O)OC)C1(C)C ZINC000440871518 287410921 /nfs/dbraw/zinc/41/09/21/287410921.db2.gz WCVMWYHCFFUMHN-XHDPSFHLSA-N 0 0 314.382 0.328 10 0 DCAERN O=C(CCn1ccc2ccccc21)NC[C@@H](O)Cn1ccnn1 ZINC000458123919 417723673 /nfs/dbraw/zinc/72/36/73/417723673.db2.gz AEXFWARSXJHASG-CQSZACIVSA-N 0 0 313.361 0.800 10 0 DCAERN Cc1ccc(OCCC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000458142442 417724718 /nfs/dbraw/zinc/72/47/18/417724718.db2.gz OXHMTKNXEZERER-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN O=C(CCCOc1ccc(F)cc1)NC[C@H](O)Cn1ccnn1 ZINC000458143401 417724981 /nfs/dbraw/zinc/72/49/81/417724981.db2.gz PGLGATPGOBWSTB-ZDUSSCGKSA-N 0 0 322.340 0.754 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1ncccc1Br ZINC000628921854 417727030 /nfs/dbraw/zinc/72/70/30/417727030.db2.gz LYPBIXHFFGCDMR-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)C1 ZINC000581760617 417730278 /nfs/dbraw/zinc/73/02/78/417730278.db2.gz RIVRNLVBYRGSHZ-YPMHNXCESA-N 0 0 306.366 1.458 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1c1cn[nH]n1 ZINC000657144844 417823975 /nfs/dbraw/zinc/82/39/75/417823975.db2.gz UPMZOJRRUWBZTJ-GXTWGEPZSA-N 0 0 322.390 0.749 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC000631393759 417868995 /nfs/dbraw/zinc/86/89/95/417868995.db2.gz AZOUITBHYVRKLX-WZRBSPASSA-N 0 0 302.396 0.225 10 0 DCAERN CC(C)c1nccn1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000636140671 417883788 /nfs/dbraw/zinc/88/37/88/417883788.db2.gz HSROKNNYFQBHGS-DYEKYZERSA-N 0 0 303.366 0.694 10 0 DCAERN CCOc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)nc(C)n1 ZINC000664273028 418109284 /nfs/dbraw/zinc/10/92/84/418109284.db2.gz PRTQEXSZMFQDIU-ZJUUUORDSA-N 0 0 301.368 0.408 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000664267567 418106629 /nfs/dbraw/zinc/10/66/29/418106629.db2.gz LGWVTUNQWYLUJA-NWDGAFQWSA-N 0 0 319.404 0.314 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncncc1Br ZINC000664272235 418107838 /nfs/dbraw/zinc/10/78/38/418107838.db2.gz ZYFZCOLHRXLECQ-JGVFFNPUSA-N 0 0 322.184 0.463 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1c(C2CC2)cnn1C ZINC000661805391 418362093 /nfs/dbraw/zinc/36/20/93/418362093.db2.gz HRZBYMVGIKJILA-SNVBAGLBSA-N 0 0 305.382 0.718 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000186190445 545913172 /nfs/dbraw/zinc/91/31/72/545913172.db2.gz PAQIYCWWLOTJCR-UHFFFAOYSA-N 0 0 305.363 0.362 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCOCC1 ZINC000487138454 287533043 /nfs/dbraw/zinc/53/30/43/287533043.db2.gz NECBNJQDVFPKPM-MNOVXSKESA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(SC)CC1 ZINC000488336605 287549910 /nfs/dbraw/zinc/54/99/10/287549910.db2.gz ZUHASWYTLBIAOV-IUCAKERBSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCO1 ZINC000488245927 287547491 /nfs/dbraw/zinc/54/74/91/287547491.db2.gz HAQMXHDOZCKNGN-VWYCJHECSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000488248237 287547510 /nfs/dbraw/zinc/54/75/10/287547510.db2.gz HNTPZLJYFBVROH-VHSXEESVSA-N 0 0 310.394 0.995 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000488248236 287547601 /nfs/dbraw/zinc/54/76/01/287547601.db2.gz HNTPZLJYFBVROH-UWVGGRQHSA-N 0 0 310.394 0.995 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnc(C)nc1C ZINC000488273867 287548175 /nfs/dbraw/zinc/54/81/75/287548175.db2.gz RGNKGCJLDSJVRM-UWVGGRQHSA-N 0 0 322.365 0.280 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc(C)s1 ZINC000488294038 287548490 /nfs/dbraw/zinc/54/84/90/287548490.db2.gz KKQLJIVLCKNLCE-HTQZYQBOSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000488292429 287548514 /nfs/dbraw/zinc/54/85/14/287548514.db2.gz IRHORBPSBOYCIN-QWRGUYRKSA-N 0 0 324.381 0.650 10 0 DCAERN O=C(CN1C(=O)COc2ccccc21)N1CCN(C2CC2)CC1 ZINC000299385215 229089816 /nfs/dbraw/zinc/08/98/16/229089816.db2.gz WIIVVWUOLJTISN-UHFFFAOYSA-N 0 0 315.373 0.719 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000299739126 229371665 /nfs/dbraw/zinc/37/16/65/229371665.db2.gz KWESRHSRSSPEQI-NEPJUHHUSA-N 0 0 321.381 0.500 10 0 DCAERN Cc1csc(N2CCN(c3cncc(C(N)=O)n3)CC2)n1 ZINC000301449563 229671090 /nfs/dbraw/zinc/67/10/90/229671090.db2.gz SGWCBLTWAGXESG-UHFFFAOYSA-N 0 0 304.379 0.667 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCC(=O)NCCOC ZINC000228745595 545946298 /nfs/dbraw/zinc/94/62/98/545946298.db2.gz WQIHMWUREJXOCR-UHFFFAOYSA-N 0 0 315.395 0.159 10 0 DCAERN COCCNC(=O)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000032408675 261105534 /nfs/dbraw/zinc/10/55/34/261105534.db2.gz IWVAAIYNRHOONT-UHFFFAOYSA-N 0 0 320.798 0.689 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922337 261108297 /nfs/dbraw/zinc/10/82/97/261108297.db2.gz AJLLHLYDAYRFGN-LBPRGKRZSA-N 0 0 308.382 0.463 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)NCC(=O)NCC2CC2)n1 ZINC000180865839 261114569 /nfs/dbraw/zinc/11/45/69/261114569.db2.gz HBQYECVJPVWUDW-UHFFFAOYSA-N 0 0 308.382 0.942 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)c1 ZINC000183549905 261116523 /nfs/dbraw/zinc/11/65/23/261116523.db2.gz PILUGCPUVXLCJD-CQSZACIVSA-N 0 0 303.366 0.395 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCC(F)(F)CO)C1 ZINC000183867586 261117838 /nfs/dbraw/zinc/11/78/38/261117838.db2.gz NIKDKQPNIFRGPA-SECBINFHSA-N 0 0 308.325 0.987 10 0 DCAERN CNC(=O)c1cccc(C(=O)NCc2cc(C(N)=O)co2)c1 ZINC000186675289 261121302 /nfs/dbraw/zinc/12/13/02/261121302.db2.gz WJFVORJJAOWCHZ-UHFFFAOYSA-N 0 0 301.302 0.668 10 0 DCAERN CO[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CC[C@@H]1C ZINC000187414068 261123885 /nfs/dbraw/zinc/12/38/85/261123885.db2.gz VUXXMUYRTZVYKH-DTWKUNHWSA-N 0 0 311.304 0.731 10 0 DCAERN NC(=O)c1coc(CNS(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000188244891 261125592 /nfs/dbraw/zinc/12/55/92/261125592.db2.gz RFHFNMVXYMCCAA-SNVBAGLBSA-N 0 0 302.352 0.367 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](CO)Cc1cccc(C)c1)C(C)C ZINC000188366711 261126823 /nfs/dbraw/zinc/12/68/23/261126823.db2.gz FJLPODYBIWFSAJ-LSDHHAIUSA-N 0 0 321.421 0.968 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1=O ZINC000188635983 261129366 /nfs/dbraw/zinc/12/93/66/261129366.db2.gz QSFSTEYKKASUMF-CQSZACIVSA-N 0 0 323.437 0.960 10 0 DCAERN Cn1cc(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)cc1C(N)=O ZINC000188749205 261130293 /nfs/dbraw/zinc/13/02/93/261130293.db2.gz RPEISFVQLXKEGB-VIFPVBQESA-N 0 0 315.395 0.360 10 0 DCAERN CCC[C@@H](C(=O)OCC)N1CCCN(CCOC)C(=O)C1 ZINC000190787714 261135891 /nfs/dbraw/zinc/13/58/91/261135891.db2.gz SXAOZBJHNMRHQL-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN Cc1cc(COCC(=O)N(C)CC(=O)Nc2cc(C)on2)on1 ZINC000193291756 261141479 /nfs/dbraw/zinc/14/14/79/261141479.db2.gz PZUHWLYZQNSRCZ-UHFFFAOYSA-N 0 0 322.321 0.893 10 0 DCAERN CSC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000194650963 261147399 /nfs/dbraw/zinc/14/73/99/261147399.db2.gz ZEHKLHOXYLAMGM-UHFFFAOYSA-N 0 0 319.386 0.702 10 0 DCAERN O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1CNC(=O)C1 ZINC000194792395 261148157 /nfs/dbraw/zinc/14/81/57/261148157.db2.gz LALKGTFQUXRDEI-CQSZACIVSA-N 0 0 315.373 0.561 10 0 DCAERN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194803100 261148611 /nfs/dbraw/zinc/14/86/11/261148611.db2.gz RWUDBWUBLKZCPF-GFCCVEGCSA-N 0 0 318.377 0.969 10 0 DCAERN CCC(CC)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)N1CCOCC1 ZINC000194867520 261149522 /nfs/dbraw/zinc/14/95/22/261149522.db2.gz MGXCAMIPGJZBBY-KBPBESRZSA-N 0 0 311.426 0.376 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)cc1C(N)=O ZINC000221264429 261152238 /nfs/dbraw/zinc/15/22/38/261152238.db2.gz ZGMWMSGLFCJGGJ-GWCFXTLKSA-N 0 0 312.391 0.485 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000221808566 261152340 /nfs/dbraw/zinc/15/23/40/261152340.db2.gz NRCUQUNRVDCJNW-UPJWGTAASA-N 0 0 318.439 0.420 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000234572964 261154884 /nfs/dbraw/zinc/15/48/84/261154884.db2.gz RWINOWUCXIYQMB-STQMWFEESA-N 0 0 316.423 0.438 10 0 DCAERN Cn1cc(C(=O)NCCN2CCSCC2)c([C@@H]2CCOC2)n1 ZINC000275423375 261171149 /nfs/dbraw/zinc/17/11/49/261171149.db2.gz DLXXAHZHFIGQBA-GFCCVEGCSA-N 0 0 324.450 0.703 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000356939991 261485960 /nfs/dbraw/zinc/48/59/60/261485960.db2.gz SQMGMJFAGPGVRY-ZFWWWQNUSA-N 0 0 319.361 0.506 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@H](C)C1 ZINC000357890259 261597301 /nfs/dbraw/zinc/59/73/01/261597301.db2.gz OXPJFSGHDRKWOS-MRVPVSSYSA-N 0 0 304.393 0.565 10 0 DCAERN COc1cc(C(=O)NC[C@@H](CO)C2CC2)ccc1OCC(N)=O ZINC000358328335 261657424 /nfs/dbraw/zinc/65/74/24/261657424.db2.gz XZPUMOXKGUZGON-LBPRGKRZSA-N 0 0 322.361 0.308 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)NC[C@@H](CO)C2CC2)C1=O ZINC000358348812 261660259 /nfs/dbraw/zinc/66/02/59/261660259.db2.gz JRBNCFDRSCCNCC-NSHDSACASA-N 0 0 311.382 0.232 10 0 DCAERN CC(C)[C@H](CNC(=O)NC[C@H](CO)C1CC1)N1CCOCC1 ZINC000358460918 261671097 /nfs/dbraw/zinc/67/10/97/261671097.db2.gz FEQGVBMLRUUXOP-CABCVRRESA-N 0 0 313.442 0.661 10 0 DCAERN Cn1cc([C@H](CO)NC(=O)NCc2ccc3cc[nH]c3n2)cn1 ZINC000360506214 261840086 /nfs/dbraw/zinc/84/00/86/261840086.db2.gz YHEFLCKRNISCHU-ZDUSSCGKSA-N 0 0 314.349 0.829 10 0 DCAERN CN(C)C(=O)NCCN(C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360710915 261865951 /nfs/dbraw/zinc/86/59/51/261865951.db2.gz DIXPDNVECVQOQY-UHFFFAOYSA-N 0 0 318.381 0.976 10 0 DCAERN CCOCCOC[C@@H](O)CNC(=O)Cn1ncc2ccccc21 ZINC000361435488 261925011 /nfs/dbraw/zinc/92/50/11/261925011.db2.gz UQZPDFOSMYAUQU-AWEZNQCLSA-N 0 0 321.377 0.567 10 0 DCAERN COC[C@@](C)(NC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000362198421 262008623 /nfs/dbraw/zinc/00/86/23/262008623.db2.gz AOPDXEAVKABRCP-IONNQARKSA-N 0 0 303.302 0.505 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362242136 262014512 /nfs/dbraw/zinc/01/45/12/262014512.db2.gz ZODQGTGNMPXRHH-SNVBAGLBSA-N 0 0 313.379 0.977 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000362240346 262014667 /nfs/dbraw/zinc/01/46/67/262014667.db2.gz VETKTQZHBYLDMZ-LLVKDONJSA-N 0 0 309.366 0.488 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000362282145 262018861 /nfs/dbraw/zinc/01/88/61/262018861.db2.gz QOCIXNLPYWZJTQ-DGCLKSJQSA-N 0 0 322.361 0.826 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@H]2C)cc1 ZINC000362473944 262038589 /nfs/dbraw/zinc/03/85/89/262038589.db2.gz PQVSJGRUZQERLD-LLVKDONJSA-N 0 0 312.391 0.846 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000362661111 262056953 /nfs/dbraw/zinc/05/69/53/262056953.db2.gz BVPXTMDYAVEXLJ-BDAKNGLRSA-N 0 0 305.338 0.826 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@](C)(O)C3CCC3)CC2)n1 ZINC000362724140 262065604 /nfs/dbraw/zinc/06/56/04/262065604.db2.gz AYFVRDIBDQUBGK-HNNXBMFYSA-N 0 0 308.382 0.573 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000362731281 262065942 /nfs/dbraw/zinc/06/59/42/262065942.db2.gz OCHMYHBANLWZPQ-KGYLQXTDSA-N 0 0 312.435 0.917 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363134913 262101049 /nfs/dbraw/zinc/10/10/49/262101049.db2.gz NBULKPWJVQSHNA-JSGCOSHPSA-N 0 0 322.434 0.733 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000363561226 262120552 /nfs/dbraw/zinc/12/05/52/262120552.db2.gz WFYODICOTRLZQU-DZGCQCFKSA-N 0 0 319.409 0.516 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000363857828 262135331 /nfs/dbraw/zinc/13/53/31/262135331.db2.gz LGCFFJPQGPANTB-UHFFFAOYSA-N 0 0 319.361 0.593 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363986944 262138302 /nfs/dbraw/zinc/13/83/02/262138302.db2.gz OWQZMVZBJATBEJ-HNNXBMFYSA-N 0 0 305.378 0.405 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363978473 262138426 /nfs/dbraw/zinc/13/84/26/262138426.db2.gz VUDPQAKRQFTYOL-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@@H]2C)nc1C ZINC000392903206 262161327 /nfs/dbraw/zinc/16/13/27/262161327.db2.gz PPSNUFYRVZDSPV-PSASIEDQSA-N 0 0 300.384 0.157 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@]1(O)CCOC1)CC2 ZINC000413639915 262220283 /nfs/dbraw/zinc/22/02/83/262220283.db2.gz IVAAIGKYROPOQV-KRWDZBQOSA-N 0 0 303.358 0.968 10 0 DCAERN CCCS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000042145360 270935366 /nfs/dbraw/zinc/93/53/66/270935366.db2.gz VYZAMCRINDRKGV-SNVBAGLBSA-N 0 0 302.400 0.796 10 0 DCAERN COCCOc1ncccc1CNC(=O)NC[C@H](CO)C1CC1 ZINC000358552974 271057484 /nfs/dbraw/zinc/05/74/84/271057484.db2.gz AKQQGSQIMAVVHV-CQSZACIVSA-N 0 0 323.393 0.925 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358558360 271057987 /nfs/dbraw/zinc/05/79/87/271057987.db2.gz NHOVPFWCIKICMF-CQSZACIVSA-N 0 0 305.378 0.864 10 0 DCAERN COC(=O)[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000358797781 271074164 /nfs/dbraw/zinc/07/41/64/271074164.db2.gz APHGBYXQOIQMDC-GFCCVEGCSA-N 0 0 323.393 0.782 10 0 DCAERN O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@H](CO)C1CC1 ZINC000359190662 271103127 /nfs/dbraw/zinc/10/31/27/271103127.db2.gz HTUHCPKFZMFQCS-CQSZACIVSA-N 0 0 317.389 0.790 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@@H]1O ZINC000359393302 271113359 /nfs/dbraw/zinc/11/33/59/271113359.db2.gz WIFBFTIWZWLDRB-AAEUAGOBSA-N 0 0 318.377 0.460 10 0 DCAERN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC(=O)N(C)C1 ZINC000361271474 271175399 /nfs/dbraw/zinc/17/53/99/271175399.db2.gz JOWZMOCUNDAMKZ-UHFFFAOYSA-N 0 0 308.382 0.683 10 0 DCAERN COC[C@H](O)CN1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000361465426 271181416 /nfs/dbraw/zinc/18/14/16/271181416.db2.gz RCFVZJOKWINFEH-DOMZBBRYSA-N 0 0 318.377 0.123 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398854570 271219082 /nfs/dbraw/zinc/21/90/82/271219082.db2.gz VAMCFQWBTGMPBM-QJPTWQEYSA-N 0 0 305.396 0.362 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)NCC(=O)N(C)C)sc2C1 ZINC000434678844 271539081 /nfs/dbraw/zinc/53/90/81/271539081.db2.gz LASSROISHCRPSZ-MRVPVSSYSA-N 0 0 324.406 0.411 10 0 DCAERN CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000443996007 271726102 /nfs/dbraw/zinc/72/61/02/271726102.db2.gz XRIJDVHBLQTFAP-NSHDSACASA-N 0 0 324.468 0.615 10 0 DCAERN CCO[C@@H]1C[C@](NCC(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444748736 271743039 /nfs/dbraw/zinc/74/30/39/271743039.db2.gz RNTSKSSSMSQHOV-ABAIWWIYSA-N 0 0 300.399 0.801 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000448339618 271820766 /nfs/dbraw/zinc/82/07/66/271820766.db2.gz PQHLHFUBCWOAQM-LLVKDONJSA-N 0 0 312.414 0.411 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCc2ccn(C)n2)CC12COC2 ZINC000452217050 271911348 /nfs/dbraw/zinc/91/13/48/271911348.db2.gz BHHCZQWSMDYHSJ-ZDUSSCGKSA-N 0 0 321.377 0.391 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)N(CCO)CCOCCO ZINC000459444967 271996855 /nfs/dbraw/zinc/99/68/55/271996855.db2.gz RHALEOQEKYMGTR-UHFFFAOYSA-N 0 0 324.377 0.847 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000471668551 272028182 /nfs/dbraw/zinc/02/81/82/272028182.db2.gz KYOBEIZDPWHRGA-MNOVXSKESA-N 0 0 302.334 0.475 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000471691255 272029561 /nfs/dbraw/zinc/02/95/61/272029561.db2.gz AEMIFDMJZOQKFC-QWRGUYRKSA-N 0 0 311.382 0.781 10 0 DCAERN COc1c(NS(=O)(=O)N2CCC[C@H]2C)cccc1C(N)=O ZINC000471972186 272033593 /nfs/dbraw/zinc/03/35/93/272033593.db2.gz YRJIZZHZBMOAHK-SECBINFHSA-N 0 0 313.379 0.935 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC1(OC)CCC1 ZINC000487168171 272038497 /nfs/dbraw/zinc/03/84/97/272038497.db2.gz VCTAZVXZKABWDZ-GHMZBOCLSA-N 0 0 314.382 0.518 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000488745813 272050189 /nfs/dbraw/zinc/05/01/89/272050189.db2.gz DQOZRSVMYZZMNQ-VHSXEESVSA-N 0 0 306.322 0.971 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000488928401 272054032 /nfs/dbraw/zinc/05/40/32/272054032.db2.gz AGMDBLXZXWHLIT-LLVKDONJSA-N 0 0 319.352 0.713 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000494767994 272231446 /nfs/dbraw/zinc/23/14/46/272231446.db2.gz BVJWPMHLDANMMS-JTQLQIEISA-N 0 0 306.366 0.510 10 0 DCAERN COC[C@](C)(O)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000515027879 272415004 /nfs/dbraw/zinc/41/50/04/272415004.db2.gz FSIXRJFCBJJDKI-MLGOLLRUSA-N 0 0 324.377 0.913 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000529762090 272707593 /nfs/dbraw/zinc/70/75/93/272707593.db2.gz IIZAKUONGWJLNX-ARFHVFGLSA-N 0 0 318.373 0.620 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000532735749 272793249 /nfs/dbraw/zinc/79/32/49/272793249.db2.gz YUOOQYMHAITBQH-MGPQQGTHSA-N 0 0 301.383 0.570 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)c2cn3cccnc3n2)CC1=O ZINC000531463796 287777906 /nfs/dbraw/zinc/77/79/06/287777906.db2.gz NRFVQFGOWIJQBN-SNVBAGLBSA-N 0 0 301.350 0.859 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000535162956 287830585 /nfs/dbraw/zinc/83/05/85/287830585.db2.gz QPJBZORVUIVYBM-INIZCTEOSA-N 0 0 315.329 0.730 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2)[C@H](C(=O)OC)C1 ZINC000540964621 287913183 /nfs/dbraw/zinc/91/31/83/287913183.db2.gz DJMUYBOOMXZAMN-AAEUAGOBSA-N 0 0 321.329 0.959 10 0 DCAERN CCCN(C(=O)c1cccc2ncnn21)[C@@H]1CCS(=O)(=O)C1 ZINC000541062700 287916148 /nfs/dbraw/zinc/91/61/48/287916148.db2.gz SDMZABCXJKBYNA-LLVKDONJSA-N 0 0 322.390 0.769 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000408151677 277234458 /nfs/dbraw/zinc/23/44/58/277234458.db2.gz XIFUXNMXWLTKOD-IJLUTSLNSA-N 0 0 318.439 0.612 10 0 DCAERN CNC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193981356 277251563 /nfs/dbraw/zinc/25/15/63/277251563.db2.gz FZEFUBGLDLIFQF-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cccn2cc(CC(=O)N3CCN4CCOC[C@@H]4C3)nc12 ZINC000543604806 287960728 /nfs/dbraw/zinc/96/07/28/287960728.db2.gz DZCAZMVLAPZCOA-HNNXBMFYSA-N 0 0 314.389 0.728 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000544672660 287979942 /nfs/dbraw/zinc/97/99/42/287979942.db2.gz UYTQRFUHQSPWBO-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CCS1(=O)=O ZINC000124887370 277833358 /nfs/dbraw/zinc/83/33/58/277833358.db2.gz LGLRDKAJDQPOSH-ZYHUDNBSSA-N 0 0 310.375 0.949 10 0 DCAERN C[C@@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC(=O)N1C ZINC000407952448 277917444 /nfs/dbraw/zinc/91/74/44/277917444.db2.gz HJAQXIQLJMCNTB-SSDOTTSWSA-N 0 0 314.271 0.810 10 0 DCAERN CC(C)c1ccccc1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092230687 278058972 /nfs/dbraw/zinc/05/89/72/278058972.db2.gz UHSQMFHHOHPXGY-CQSZACIVSA-N 0 0 305.378 0.935 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000370213844 278068117 /nfs/dbraw/zinc/06/81/17/278068117.db2.gz YBRPYEQIERNQKY-LZWOXQAQSA-N 0 0 312.410 0.368 10 0 DCAERN COc1nc(C)cc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)n1 ZINC000408219496 278082606 /nfs/dbraw/zinc/08/26/06/278082606.db2.gz NSQFTKZLDCMRQO-ZDUSSCGKSA-N 0 0 319.409 0.536 10 0 DCAERN CC(=O)NC1(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000132895680 278085591 /nfs/dbraw/zinc/08/55/91/278085591.db2.gz YNGCCNPHOJLTHH-STQMWFEESA-N 0 0 309.410 0.986 10 0 DCAERN Cc1ncc(CNC(=O)NCc2nnnn2CC2CC2)s1 ZINC000546025726 288013230 /nfs/dbraw/zinc/01/32/30/288013230.db2.gz KDZCPHNRHSXNRK-UHFFFAOYSA-N 0 0 307.383 0.847 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000096998431 278145349 /nfs/dbraw/zinc/14/53/49/278145349.db2.gz ZLFZGQGAFDALIP-CYBMUJFWSA-N 0 0 303.428 0.708 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C1CCCC1 ZINC000408245996 278155057 /nfs/dbraw/zinc/15/50/57/278155057.db2.gz IDAUNDTUFFKCKK-RDJZCZTQSA-N 0 0 321.421 0.810 10 0 DCAERN Cc1nccc(N2CCN(C(=O)C3(C(N)=O)CCC3)CC2)n1 ZINC000546818094 288031422 /nfs/dbraw/zinc/03/14/22/288031422.db2.gz QHZPTNMQPYNXQC-UHFFFAOYSA-N 0 0 303.366 0.089 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1noc2ccccc12 ZINC000281904509 278349726 /nfs/dbraw/zinc/34/97/26/278349726.db2.gz FWKXSHQUHVPOHP-UHFFFAOYSA-N 0 0 323.374 0.868 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000408244676 278364356 /nfs/dbraw/zinc/36/43/56/278364356.db2.gz DACVCOXFDYQJKK-UHFFFAOYSA-N 0 0 319.427 0.120 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000547434376 288045822 /nfs/dbraw/zinc/04/58/22/288045822.db2.gz XLOQSPAQWKZYLD-SECBINFHSA-N 0 0 319.408 0.626 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000547438654 288045853 /nfs/dbraw/zinc/04/58/53/288045853.db2.gz GHILJPVXHPFPBW-VHSXEESVSA-N 0 0 315.361 0.942 10 0 DCAERN O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CCCN(CCO)C1=O ZINC000547450404 288047747 /nfs/dbraw/zinc/04/77/47/288047747.db2.gz UZNGCZLMIWUUAR-CQSZACIVSA-N 0 0 319.361 0.822 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@](F)(CO)C1 ZINC000376516478 278494414 /nfs/dbraw/zinc/49/44/14/278494414.db2.gz BGGFIUCWRSNDFU-GWCFXTLKSA-N 0 0 324.418 0.273 10 0 DCAERN Cc1nc(CN(C)C(=O)c2c(C)nn(C)c2-n2cccn2)no1 ZINC000547657246 288066151 /nfs/dbraw/zinc/06/61/51/288066151.db2.gz XTTIKWHRHSCHKC-UHFFFAOYSA-N 0 0 315.337 0.878 10 0 DCAERN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000547835900 288083612 /nfs/dbraw/zinc/08/36/12/288083612.db2.gz FSKPGLMRCDSWLV-BARDWOONSA-N 0 0 315.410 0.816 10 0 DCAERN Cc1nnc2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)cn12 ZINC000408063974 279235592 /nfs/dbraw/zinc/23/55/92/279235592.db2.gz YECITGNCZYMFTC-ONGXEEELSA-N 0 0 301.350 0.764 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)c2ccccc21 ZINC000193229915 279347961 /nfs/dbraw/zinc/34/79/61/279347961.db2.gz LCAKZSXWWYPJBI-ZIAGYGMSSA-N 0 0 303.362 0.892 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000119896403 279374981 /nfs/dbraw/zinc/37/49/81/279374981.db2.gz ZWLOLUHAPIMQBL-KGLIPLIRSA-N 0 0 306.410 0.532 10 0 DCAERN CCn1cc(CC(=O)Nc2cccc(S(=O)(=O)NC)c2)cn1 ZINC000548363004 288135655 /nfs/dbraw/zinc/13/56/55/288135655.db2.gz ZGIVRTXSQVHQQA-UHFFFAOYSA-N 0 0 322.390 0.992 10 0 DCAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000193721397 279582290 /nfs/dbraw/zinc/58/22/90/279582290.db2.gz HKIFFCXEDGEFRE-KBPBESRZSA-N 0 0 315.373 0.484 10 0 DCAERN C[C@H](CNC(=O)Nc1ccnn1[C@@H](C)C1CC1)S(N)(=O)=O ZINC000548504302 288148923 /nfs/dbraw/zinc/14/89/23/288148923.db2.gz MQWAYJIMMNVHQW-BDAKNGLRSA-N 0 0 315.399 0.653 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000548744642 288172827 /nfs/dbraw/zinc/17/28/27/288172827.db2.gz KNWFZWQLKWIMKC-UHFFFAOYSA-N 0 0 302.334 0.753 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cn1 ZINC000548761954 288174004 /nfs/dbraw/zinc/17/40/04/288174004.db2.gz KBGNWGYTNRVQMJ-LBPRGKRZSA-N 0 0 314.345 0.721 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408459133 279941417 /nfs/dbraw/zinc/94/14/17/279941417.db2.gz XBIADCJSORRLEI-GRYCIOLGSA-N 0 0 304.412 0.340 10 0 DCAERN CCOc1ccc(CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091778884 279954911 /nfs/dbraw/zinc/95/49/11/279954911.db2.gz QMOGQMHUVZZZAF-CQSZACIVSA-N 0 0 306.362 0.731 10 0 DCAERN COC(=O)[C@@H](NC(=O)COc1cnn(C)c1)c1cccnc1 ZINC000548864941 288182948 /nfs/dbraw/zinc/18/29/48/288182948.db2.gz SWRAPUDEGODRQD-ZDUSSCGKSA-N 0 0 304.306 0.224 10 0 DCAERN CC(C)[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCO1 ZINC000408138270 280015468 /nfs/dbraw/zinc/01/54/68/280015468.db2.gz JJQKDBHRTZVMIN-XQQFMLRXSA-N 0 0 306.428 0.697 10 0 DCAERN Cn1cc(OCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000549523658 288199674 /nfs/dbraw/zinc/19/96/74/288199674.db2.gz DIULGVLKQUPMDS-WFASDCNBSA-N 0 0 323.393 0.483 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2CCN(C)C(=O)C2)C[C@@]12CCCO2 ZINC000329338895 280041806 /nfs/dbraw/zinc/04/18/06/280041806.db2.gz QRUFSMFUMNJPGZ-HOTGVXAUSA-N 0 0 309.410 0.176 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@]12CCCO2 ZINC000333959779 280049573 /nfs/dbraw/zinc/04/95/73/280049573.db2.gz KKBGDNAAJQWFLZ-DYEKYZERSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCCc3nn(C)cc32)C[C@@H](CO)O1 ZINC000549209808 288194881 /nfs/dbraw/zinc/19/48/81/288194881.db2.gz ATETVOVAHZUUCH-MDZLAQPJSA-N 0 0 308.382 0.589 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408076256 280363051 /nfs/dbraw/zinc/36/30/51/280363051.db2.gz FZTCZIWAWFKZCD-RYUDHWBXSA-N 0 0 303.428 0.420 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329501860 280394033 /nfs/dbraw/zinc/39/40/33/280394033.db2.gz YTEBROAYTKLRTA-QLFBSQMISA-N 0 0 324.421 0.897 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@H](C(=O)OC)[C@H](C)C2)CC(=O)N1 ZINC000408323517 280541324 /nfs/dbraw/zinc/54/13/24/280541324.db2.gz ZFBUNMVDKYQFFB-XQHKEYJVSA-N 0 0 310.394 0.949 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000408397268 280655512 /nfs/dbraw/zinc/65/55/12/280655512.db2.gz XFOIZWWABHNJOY-CYBMUJFWSA-N 0 0 304.412 0.321 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000552348323 288273387 /nfs/dbraw/zinc/27/33/87/288273387.db2.gz PEMQALYCMLBMER-ZIAGYGMSSA-N 0 0 312.410 0.947 10 0 DCAERN O=C(NC[C@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2nccn2c1 ZINC000552743950 288279807 /nfs/dbraw/zinc/27/98/07/288279807.db2.gz NPYDPSZLGBKGNJ-WCQYABFASA-N 0 0 316.361 0.940 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000552779492 288280399 /nfs/dbraw/zinc/28/03/99/288280399.db2.gz DZNCHVJAKNAEQB-MNOVXSKESA-N 0 0 302.334 0.957 10 0 DCAERN CC1(C)CN(C(=O)[C@H](O)C2CCCCC2)CCS1(=O)=O ZINC000188365254 281206932 /nfs/dbraw/zinc/20/69/32/281206932.db2.gz LEOQRMYGHHKCRK-GFCCVEGCSA-N 0 0 303.424 0.963 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@]12CCCO2 ZINC000554528588 288326397 /nfs/dbraw/zinc/32/63/97/288326397.db2.gz BQFIVGSEAWEFKJ-UMVBOHGHSA-N 0 0 309.366 0.642 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(N3CCCCC3=O)CC2)cn1 ZINC000554529838 288326591 /nfs/dbraw/zinc/32/65/91/288326591.db2.gz HXWSKUYMLLNSDG-UHFFFAOYSA-N 0 0 320.393 0.802 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cn1 ZINC000554529863 288326719 /nfs/dbraw/zinc/32/67/19/288326719.db2.gz IRGZWCVWKCMFOJ-BXUZGUMPSA-N 0 0 311.407 0.970 10 0 DCAERN CCCN(C(=O)COc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000554566573 288329327 /nfs/dbraw/zinc/32/93/27/288329327.db2.gz DVALBCDNVRLORH-LLVKDONJSA-N 0 0 315.395 0.225 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248817 281885042 /nfs/dbraw/zinc/88/50/42/281885042.db2.gz XETQWOFZAKYJQD-SUMWQHHRSA-N 0 0 321.421 0.906 10 0 DCAERN COCn1nccc1S(=O)(=O)NCCc1cc(C)no1 ZINC000556824924 288397947 /nfs/dbraw/zinc/39/79/47/288397947.db2.gz YDIJSNPCVABDTJ-UHFFFAOYSA-N 0 0 300.340 0.304 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000557851568 288432953 /nfs/dbraw/zinc/43/29/53/288432953.db2.gz GJSDHFVXZGYNJR-GHMZBOCLSA-N 0 0 310.441 0.130 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)NCCOCC1CCC1 ZINC000558657874 288453564 /nfs/dbraw/zinc/45/35/64/288453564.db2.gz KWQGHOVMVXTPOZ-UHFFFAOYSA-N 0 0 313.398 0.303 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCc2cc(C)on2)C1 ZINC000559867436 288481344 /nfs/dbraw/zinc/48/13/44/288481344.db2.gz HTXPQWAPXZVUPF-LLVKDONJSA-N 0 0 322.365 0.116 10 0 DCAERN COC(=O)COCC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000562284226 288562877 /nfs/dbraw/zinc/56/28/77/288562877.db2.gz ZMRUIZGFQOQFRK-UHFFFAOYSA-N 0 0 308.334 0.651 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CN2C(=O)CN(C3CCC3)C2=O)O1 ZINC000562407031 288572756 /nfs/dbraw/zinc/57/27/56/288572756.db2.gz WIXXBAOTYIEHOL-NWDGAFQWSA-N 0 0 309.366 0.439 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](Nc3cncc(C(N)=O)n3)[C@@H]2C1 ZINC000565267979 288839960 /nfs/dbraw/zinc/83/99/60/288839960.db2.gz ZSQHNDALHZBHEW-TUAOUCFPSA-N 0 0 303.366 0.634 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000054814310 289018064 /nfs/dbraw/zinc/01/80/64/289018064.db2.gz NYAOLGSNOINQIU-TZMCWYRMSA-N 0 0 321.421 0.857 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000329693050 289047244 /nfs/dbraw/zinc/04/72/44/289047244.db2.gz GZNUQJNAWIFDBX-IIAWOOMASA-N 0 0 318.421 0.767 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874399 290083491 /nfs/dbraw/zinc/08/34/91/290083491.db2.gz JKAREAARDAWMFP-MELADBBJSA-N 0 0 323.437 0.565 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)C1 ZINC000408064378 290103332 /nfs/dbraw/zinc/10/33/32/290103332.db2.gz UKFPOUHPADUFKV-ZNMIVQPWSA-N 0 0 308.353 0.791 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408262962 290151835 /nfs/dbraw/zinc/15/18/35/290151835.db2.gz ADHASKNTMQBNBX-SDDRHHMPSA-N 0 0 309.370 0.294 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183970087 290196413 /nfs/dbraw/zinc/19/64/13/290196413.db2.gz YPIZFDUNDDWGFE-NXEZZACHSA-N 0 0 324.406 0.862 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000171898481 290390388 /nfs/dbraw/zinc/39/03/88/290390388.db2.gz JPBPHUXXICSJRT-GFCCVEGCSA-N 0 0 318.377 0.890 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C[C@@H](O)CN2CCCC2=O)n1 ZINC000328947349 293970596 /nfs/dbraw/zinc/97/05/96/293970596.db2.gz BKRXUVCVSZABQL-OSMZGAPFSA-N 0 0 324.381 0.123 10 0 DCAERN Cc1oc(C(=O)N2CCOCC3(CC3)C2)cc1S(N)(=O)=O ZINC000408176202 294029267 /nfs/dbraw/zinc/02/92/67/294029267.db2.gz CZOFEKRJYUAFHM-UHFFFAOYSA-N 0 0 314.363 0.488 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)C[C@H](C)O1 ZINC000173963080 297057937 /nfs/dbraw/zinc/05/79/37/297057937.db2.gz RGBPGGCLUVWXHT-DTORHVGOSA-N 0 0 324.353 0.722 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000091783527 295120384 /nfs/dbraw/zinc/12/03/84/295120384.db2.gz OQPOFXCEZJELKG-LURJTMIESA-N 0 0 303.112 0.368 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000408395149 295169125 /nfs/dbraw/zinc/16/91/25/295169125.db2.gz MKPXTTKHAUXSMK-SNVBAGLBSA-N 0 0 313.375 0.908 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCc2cccnc21 ZINC000333416366 295283919 /nfs/dbraw/zinc/28/39/19/295283919.db2.gz IEFUBCURBPPZJL-NEPJUHHUSA-N 0 0 309.391 0.391 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)c1nccnc1N ZINC000261675954 295394038 /nfs/dbraw/zinc/39/40/38/295394038.db2.gz BPOGAYAQZABKHF-LBPRGKRZSA-N 0 0 313.361 0.854 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000329516745 295443137 /nfs/dbraw/zinc/44/31/37/295443137.db2.gz DNDZHNPHSLPAGQ-LBPRGKRZSA-N 0 0 321.406 0.363 10 0 DCAERN CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000333966241 295508667 /nfs/dbraw/zinc/50/86/67/295508667.db2.gz QVCOYEZBOMDMMM-RVMXOQNASA-N 0 0 301.408 0.837 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000253555354 295561314 /nfs/dbraw/zinc/56/13/14/295561314.db2.gz OGQMJCFVZMWFDY-OASPWFOLSA-N 0 0 305.334 0.023 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329552050 297807559 /nfs/dbraw/zinc/80/75/59/297807559.db2.gz GAVGQTSXBAVOLP-NDBYEHHHSA-N 0 0 311.382 0.391 10 0 DCAERN C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000408390163 299029662 /nfs/dbraw/zinc/02/96/62/299029662.db2.gz RMFDNYUJPPFGSD-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H]1CC[C@H](C)N(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975833 300060037 /nfs/dbraw/zinc/06/00/37/300060037.db2.gz BOFQJGOAJTUYSV-UWVGGRQHSA-N 0 0 305.382 0.581 10 0 DCAERN C[C@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CC[S@]1=O ZINC000408222468 300257572 /nfs/dbraw/zinc/25/75/72/300257572.db2.gz CQUNFSLJWMFLKW-MQJDWESPSA-N 0 0 313.423 0.304 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2COc3ccccc3C2)[C@@H]1C(N)=O ZINC000285596635 300595090 /nfs/dbraw/zinc/59/50/90/300595090.db2.gz UGRCEGAKRZNSRW-QKCSRTOESA-N 0 0 304.346 0.339 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284654459 300969650 /nfs/dbraw/zinc/96/96/50/300969650.db2.gz GLUQDIGXRRETMJ-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCO[C@H](C4CC4)C3)C2=O)n(C)n1 ZINC000330137584 301342119 /nfs/dbraw/zinc/34/21/19/301342119.db2.gz NXLUUCAMZACYGL-KBPBESRZSA-N 0 0 304.394 0.945 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c(=O)[nH]1 ZINC000408395549 301505819 /nfs/dbraw/zinc/50/58/19/301505819.db2.gz QWPDSZYYLTYYLF-CYBMUJFWSA-N 0 0 315.377 0.958 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000267090842 302109976 /nfs/dbraw/zinc/10/99/76/302109976.db2.gz UTMMGMZCOVFVTG-LLVKDONJSA-N 0 0 303.405 0.803 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000408228471 302291394 /nfs/dbraw/zinc/29/13/94/302291394.db2.gz XPCUCHBPMMEASS-QWHCGFSZSA-N 0 0 313.423 0.466 10 0 DCAERN Cc1ncc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)c(C(C)C)n1 ZINC000177713302 302693452 /nfs/dbraw/zinc/69/34/52/302693452.db2.gz HAUKYJGBFIZVLV-SKDRFNHKSA-N 0 0 306.366 0.623 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000312725121 302869108 /nfs/dbraw/zinc/86/91/08/302869108.db2.gz GXEVWAXFWDRXPN-IONNQARKSA-N 0 0 302.352 0.390 10 0 DCAERN Cn1cnc2c(c1=O)CCN(Cc1nnc3n1CCCCC3)C2 ZINC000329682915 303022150 /nfs/dbraw/zinc/02/21/50/303022150.db2.gz YVYUAQMCNMRFTQ-UHFFFAOYSA-N 0 0 314.393 0.657 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC(C)(O)CC2)CC(=O)N1C ZINC000328947064 303091585 /nfs/dbraw/zinc/09/15/85/303091585.db2.gz VSDRRWMIMAQQQJ-SMDDNHRTSA-N 0 0 320.393 0.313 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ncccc1Br ZINC000347251770 303315765 /nfs/dbraw/zinc/31/57/65/303315765.db2.gz HGAYTERZODFWSK-XPUUQOCRSA-N 0 0 316.130 0.882 10 0 DCAERN O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000333752835 303757720 /nfs/dbraw/zinc/75/77/20/303757720.db2.gz NMGZBWXRYGMHOW-ZNMIVQPWSA-N 0 0 324.421 0.409 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000186004345 332806054 /nfs/dbraw/zinc/80/60/54/332806054.db2.gz VXEOGGDEOLBOAB-CZUORRHYSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000188617813 333050594 /nfs/dbraw/zinc/05/05/94/333050594.db2.gz CGYHBANPWXWFKV-SNVBAGLBSA-N 0 0 309.391 0.730 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NCCN1C(=O)CNC1=O ZINC000188815632 333055918 /nfs/dbraw/zinc/05/59/18/333055918.db2.gz PQZVNZHAWLMUPY-UHFFFAOYSA-N 0 0 308.338 0.463 10 0 DCAERN C[C@H]1C(=O)NCCCN1Cc1cn(Cc2cccnc2)nn1 ZINC000189088264 333062879 /nfs/dbraw/zinc/06/28/79/333062879.db2.gz RKKRRLJMYJYAGE-LBPRGKRZSA-N 0 0 300.366 0.432 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1nnc2n1CCCC2 ZINC000189957079 335718409 /nfs/dbraw/zinc/71/84/09/335718409.db2.gz CZDSDSLIBFYFFB-GRYCIOLGSA-N 0 0 323.397 0.467 10 0 DCAERN COc1cc(N[C@H]2CCCN(c3ccnn3C)C2=O)ncn1 ZINC000582760272 337137277 /nfs/dbraw/zinc/13/72/77/337137277.db2.gz QCZAQAFTPLJIQR-JTQLQIEISA-N 0 0 302.338 0.826 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000583118641 337239047 /nfs/dbraw/zinc/23/90/47/337239047.db2.gz PSZACPWAOGNZMO-PWSUYJOCSA-N 0 0 305.382 0.836 10 0 DCAERN CC[C@H](Cn1cc(I)c(=O)[nH]c1=O)OC ZINC000397014997 337243399 /nfs/dbraw/zinc/24/33/99/337243399.db2.gz OYFNSOJWSZHCPE-ZCFIWIBFSA-N 0 0 324.118 0.979 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584444729 337326273 /nfs/dbraw/zinc/32/62/73/337326273.db2.gz QLTRCYIJCFNYSL-QAVQXKDTSA-N 0 0 302.334 0.716 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCO[C@H](C2CC2)C1 ZINC000332976234 338523743 /nfs/dbraw/zinc/52/37/43/338523743.db2.gz HIODYVPLYGAZQU-NEPJUHHUSA-N 0 0 302.396 0.384 10 0 DCAERN O=C(NC[C@]1(O)CCSC1)c1nc2ccccc2c(=O)[nH]1 ZINC000177057855 341911066 /nfs/dbraw/zinc/91/10/66/341911066.db2.gz YGUKFFIYNWMZEY-CQSZACIVSA-N 0 0 305.359 0.521 10 0 DCAERN Cc1c(C(=O)N2CCOCC2(C)C)cccc1S(N)(=O)=O ZINC000132919062 533755666 /nfs/dbraw/zinc/75/56/66/533755666.db2.gz RGUMXXUGFVYMQN-UHFFFAOYSA-N 0 0 312.391 0.893 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCc3ccccc32)CCS1(=O)=O ZINC000155552611 533910577 /nfs/dbraw/zinc/91/05/77/533910577.db2.gz AHDHOTCJXALYCB-LBPRGKRZSA-N 0 0 308.403 0.695 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)O1 ZINC000177934189 534127037 /nfs/dbraw/zinc/12/70/37/534127037.db2.gz ZOKRCRRJACZPPB-OCCSQVGLSA-N 0 0 310.394 0.651 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCO[C@@]4(CCOC4)C3)C2=O)n(C)n1 ZINC000249027315 518187532 /nfs/dbraw/zinc/18/75/32/518187532.db2.gz RUSRJKFHWBFKQC-CJNGLKHVSA-N 0 0 320.393 0.325 10 0 DCAERN Cc1nc(CN(C)c2cc(N3CCC[C@H]3CO)ncn2)no1 ZINC000302149203 534348423 /nfs/dbraw/zinc/34/84/23/534348423.db2.gz HHDUJOMUWJAFMH-NSHDSACASA-N 0 0 304.354 0.766 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177765040 534375576 /nfs/dbraw/zinc/37/55/76/534375576.db2.gz CEYPZCMMXIAYIM-LLVKDONJSA-N 0 0 321.410 0.580 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000155354296 518988557 /nfs/dbraw/zinc/98/85/57/518988557.db2.gz ZLAOOQZTQCYBGU-UZJPJQLHSA-N 0 0 313.427 0.439 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCN1CCO ZINC000188769498 534404694 /nfs/dbraw/zinc/40/46/94/534404694.db2.gz HNXDFORDHVOVEY-GFCCVEGCSA-N 0 0 319.405 0.392 10 0 DCAERN CC(C)C[C@@H](CO)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000186446156 519216461 /nfs/dbraw/zinc/21/64/61/519216461.db2.gz ZJGZBEXZVPRYFK-LBPRGKRZSA-N 0 0 314.407 0.813 10 0 DCAERN CC(=O)NC1CN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1 ZINC000190528840 519647503 /nfs/dbraw/zinc/64/75/03/519647503.db2.gz VFNFZKWOHLVJNF-UHFFFAOYSA-N 0 0 321.352 0.683 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccccc2OC(F)F)C1 ZINC000188567880 519649520 /nfs/dbraw/zinc/64/95/20/519649520.db2.gz YNCXZSOFXSEATM-UHFFFAOYSA-N 0 0 320.317 0.797 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000154745152 519687276 /nfs/dbraw/zinc/68/72/76/519687276.db2.gz QAZCEOUXWHCOHK-DZGCQCFKSA-N 0 0 301.431 0.803 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000365938711 519698258 /nfs/dbraw/zinc/69/82/58/519698258.db2.gz XMZFNCONQINSDC-JUDXGUMMSA-N 0 0 321.421 0.807 10 0 DCAERN CC(C)Nc1ncccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128060802 519742268 /nfs/dbraw/zinc/74/22/68/519742268.db2.gz ZLTTUWAPEYSALG-CYBMUJFWSA-N 0 0 322.409 0.325 10 0 DCAERN CC(C)[C@H](O)CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000155771838 519822783 /nfs/dbraw/zinc/82/27/83/519822783.db2.gz MIXXKLUUBCPTTH-CQSZACIVSA-N 0 0 305.378 0.968 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000153774057 519872322 /nfs/dbraw/zinc/87/23/22/519872322.db2.gz BWAQNJVDWMWJIG-NSHDSACASA-N 0 0 308.357 0.832 10 0 DCAERN CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H](C)O)cc1 ZINC000183681558 520050563 /nfs/dbraw/zinc/05/05/63/520050563.db2.gz OYLBELVXHOUDEM-LLVKDONJSA-N 0 0 314.407 0.414 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000190313272 520680466 /nfs/dbraw/zinc/68/04/66/520680466.db2.gz CNHNKCDGPZGZNQ-JHJVBQTASA-N 0 0 319.409 0.904 10 0 DCAERN CCOc1cc(C)nc(N2CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC000105820292 520690277 /nfs/dbraw/zinc/69/02/77/520690277.db2.gz YZZUCRYMQDCHFR-UHFFFAOYSA-N 0 0 317.353 0.264 10 0 DCAERN CC1(CNC(=O)c2ccccc2-n2cnnn2)OCCCO1 ZINC000191096127 520731584 /nfs/dbraw/zinc/73/15/84/520731584.db2.gz DFMBDNNGPCWDFX-UHFFFAOYSA-N 0 0 303.322 0.545 10 0 DCAERN CC1CCC(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)CC1 ZINC000108990596 520942475 /nfs/dbraw/zinc/94/24/75/520942475.db2.gz SLYTXPISNYLFNO-CXQJBGSLSA-N 0 0 309.410 0.794 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1(CCO)CC1 ZINC000157272559 521129336 /nfs/dbraw/zinc/12/93/36/521129336.db2.gz JOGIAGCFWFBVBZ-NSHDSACASA-N 0 0 320.411 0.011 10 0 DCAERN CCOC(=O)[C@@](C)(CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000188942522 521147694 /nfs/dbraw/zinc/14/76/94/521147694.db2.gz KAQIPYJTOFONLZ-SJCJKPOMSA-N 0 0 318.373 0.760 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000187187599 521217963 /nfs/dbraw/zinc/21/79/63/521217963.db2.gz HAYKVEVMKAKDPL-DTWKUNHWSA-N 0 0 321.303 0.548 10 0 DCAERN CCOC(=O)[C@](C)(CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000188942497 521320093 /nfs/dbraw/zinc/32/00/93/521320093.db2.gz KAQIPYJTOFONLZ-SJKOYZFVSA-N 0 0 318.373 0.760 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000153665411 521673915 /nfs/dbraw/zinc/67/39/15/521673915.db2.gz VYJXNJKKDTXEHG-RYUDHWBXSA-N 0 0 308.382 0.899 10 0 DCAERN CNC(=O)c1ccc(N2CCCN(C(=O)C(C)C)CC2)nn1 ZINC000266862646 521830987 /nfs/dbraw/zinc/83/09/87/521830987.db2.gz XLGLWLDHUCXWRD-UHFFFAOYSA-N 0 0 305.382 0.531 10 0 DCAERN CN(C)S(=O)(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000126790984 521963219 /nfs/dbraw/zinc/96/32/19/521963219.db2.gz XTLWDALOAJUJPU-MNOVXSKESA-N 0 0 304.368 0.210 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000190972585 522014298 /nfs/dbraw/zinc/01/42/98/522014298.db2.gz ZLZFRKWNRMQSHL-ZDUSSCGKSA-N 0 0 306.362 0.797 10 0 DCAERN COCCn1nc(C)c(NC(=O)C(=O)N[C@@H](C)C2CC2)c1C ZINC000152668758 522146496 /nfs/dbraw/zinc/14/64/96/522146496.db2.gz AEVPSCBQUFEVFX-VIFPVBQESA-N 0 0 308.382 1.000 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000365777444 522237337 /nfs/dbraw/zinc/23/73/37/522237337.db2.gz FEAOBBFKHGREJL-SECBINFHSA-N 0 0 300.384 0.297 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccnn1C ZINC000191546936 522298383 /nfs/dbraw/zinc/29/83/83/522298383.db2.gz ZSZWXUBQDNAQEG-UHFFFAOYSA-N 0 0 306.391 0.891 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1 ZINC000246719205 522506420 /nfs/dbraw/zinc/50/64/20/522506420.db2.gz LPAWMXFGNOZVMV-ZNMIVQPWSA-N 0 0 312.410 0.504 10 0 DCAERN CN(CC1(CO)CC1)C(=O)C(=O)NCCCc1ccccc1 ZINC000189159357 522593505 /nfs/dbraw/zinc/59/35/05/522593505.db2.gz IVFWYPGWALFBLW-UHFFFAOYSA-N 0 0 304.390 0.966 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cnccc2C)CC1 ZINC000189454857 522996949 /nfs/dbraw/zinc/99/69/49/522996949.db2.gz GBRSOLORQHXUEU-CYBMUJFWSA-N 0 0 320.393 0.244 10 0 DCAERN COC(=O)CCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155206035 523026705 /nfs/dbraw/zinc/02/67/05/523026705.db2.gz NZDMVANTURSOSH-LLVKDONJSA-N 0 0 323.397 0.969 10 0 DCAERN COC(=O)CCNC(=O)CN1CCO[C@@H](c2cccs2)C1 ZINC000157896384 523093573 /nfs/dbraw/zinc/09/35/73/523093573.db2.gz ZVMHSFBRPSPDTP-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000130639694 523110531 /nfs/dbraw/zinc/11/05/31/523110531.db2.gz CKBHTPBKNZTMHA-KBPBESRZSA-N 0 0 318.373 0.803 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CCN(c2cccnn2)CC1 ZINC000158030917 523659478 /nfs/dbraw/zinc/65/94/78/523659478.db2.gz MWBCOVGPNXXCMQ-OAHLLOKOSA-N 0 0 313.361 0.908 10 0 DCAERN CCc1c(C(=O)N2CC(NC(C)=O)C2)cnn1-c1ccccn1 ZINC000190519133 523681766 /nfs/dbraw/zinc/68/17/66/523681766.db2.gz VUJLRIBUDPAFRE-UHFFFAOYSA-N 0 0 313.361 0.790 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCCC(N)=O)[C@@H]1c1ccc(F)cc1 ZINC000153401996 523698285 /nfs/dbraw/zinc/69/82/85/523698285.db2.gz BDYWPQBYNMXURH-DOMZBBRYSA-N 0 0 321.352 0.727 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H](O)C2CC2)[C@@H]1c1cccnc1 ZINC000268427824 523706337 /nfs/dbraw/zinc/70/63/37/523706337.db2.gz RMOCVXVOPTVBEF-GUTXKFCHSA-N 0 0 303.362 0.488 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)CNC(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000119980493 523708805 /nfs/dbraw/zinc/70/88/05/523708805.db2.gz LHAFGACOIXKYDM-GXFFZTMASA-N 0 0 324.768 0.396 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000119085286 523737393 /nfs/dbraw/zinc/73/73/93/523737393.db2.gz IXNAPWPEOWPROK-NSHDSACASA-N 0 0 314.349 0.674 10 0 DCAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CC(CO)C2)CC1=O ZINC000159106449 523818338 /nfs/dbraw/zinc/81/83/38/523818338.db2.gz FKMIIPLVVGOZII-ZDUSSCGKSA-N 0 0 318.373 0.807 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108250 523944699 /nfs/dbraw/zinc/94/46/99/523944699.db2.gz CDXHXBXUKCBWFO-FUHWJXTLSA-N 0 0 318.417 0.913 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679641 523950303 /nfs/dbraw/zinc/95/03/03/523950303.db2.gz DDOPUZXHKPTSDZ-OAHLLOKOSA-N 0 0 317.389 0.639 10 0 DCAERN COCCOc1ccc(CC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000192131444 524043902 /nfs/dbraw/zinc/04/39/02/524043902.db2.gz CVHRVGZWOYTBSJ-AWEZNQCLSA-N 0 0 320.389 0.991 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000190895420 524082517 /nfs/dbraw/zinc/08/25/17/524082517.db2.gz YSGPFWLCSUUDKE-STQMWFEESA-N 0 0 302.334 0.312 10 0 DCAERN O=C(c1ccncc1F)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000172824553 534764886 /nfs/dbraw/zinc/76/48/86/534764886.db2.gz WSRPBZOJYVNXCO-LBPRGKRZSA-N 0 0 321.352 0.932 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000152432285 524241402 /nfs/dbraw/zinc/24/14/02/524241402.db2.gz SCNPMLWHCZIPPX-RDBSUJKOSA-N 0 0 318.439 0.843 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)Cc2cnc(C)s2)C1 ZINC000285336211 534777141 /nfs/dbraw/zinc/77/71/41/534777141.db2.gz YVNYWZVDCNDCHX-CQSZACIVSA-N 0 0 311.407 0.783 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CCN1CCO ZINC000188820351 524484889 /nfs/dbraw/zinc/48/48/89/524484889.db2.gz SMAKVNNHVLONAI-GXTWGEPZSA-N 0 0 317.389 0.637 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000184803248 524507629 /nfs/dbraw/zinc/50/76/29/524507629.db2.gz STYREGYMWKPFBQ-JTQLQIEISA-N 0 0 321.395 0.942 10 0 DCAERN C[C@@H](CCO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189156592 524512772 /nfs/dbraw/zinc/51/27/72/524512772.db2.gz JNYKSKMTEQKNPP-FZMZJTMJSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000367748484 524532794 /nfs/dbraw/zinc/53/27/94/524532794.db2.gz IAPQGMXJSLZJHE-GFCCVEGCSA-N 0 0 316.361 0.819 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192044655 524569173 /nfs/dbraw/zinc/56/91/73/524569173.db2.gz XDJDEWIETGIHCP-VWYCJHECSA-N 0 0 308.382 0.926 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000156937026 524575624 /nfs/dbraw/zinc/57/56/24/524575624.db2.gz WKEHNHPDATYYNC-NSHDSACASA-N 0 0 302.338 0.077 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000182920950 524837874 /nfs/dbraw/zinc/83/78/74/524837874.db2.gz WTTCYSSQXCBBOH-JSGCOSHPSA-N 0 0 312.435 0.709 10 0 DCAERN COc1ccnc(N2CCN(CCOCC(F)F)CC2)n1 ZINC000189127395 524843830 /nfs/dbraw/zinc/84/38/30/524843830.db2.gz XVNKNDSNGZWUON-UHFFFAOYSA-N 0 0 302.325 0.889 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@@H](C(N)=O)O1 ZINC000157422573 524852533 /nfs/dbraw/zinc/85/25/33/524852533.db2.gz MCBKJBMEKBRKQD-RNCFNFMXSA-N 0 0 316.317 0.451 10 0 DCAERN COc1ccsc1S(=O)(=O)NCCc1nc(C)no1 ZINC000157147163 524880577 /nfs/dbraw/zinc/88/05/77/524880577.db2.gz OZUYABYKCADZBV-UHFFFAOYSA-N 0 0 303.365 0.969 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)Cn3cnnn3)CC2)nc1 ZINC000157947772 524941297 /nfs/dbraw/zinc/94/12/97/524941297.db2.gz RDTZBAZGKITLCV-UHFFFAOYSA-N 0 0 301.354 0.162 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCN1c2ccccc2CC1=O ZINC000135561343 525038096 /nfs/dbraw/zinc/03/80/96/525038096.db2.gz ZKMQJMNCJNEEKT-RISCZKNCSA-N 0 0 324.402 0.673 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(=O)N(C)C ZINC000191804395 525131323 /nfs/dbraw/zinc/13/13/23/525131323.db2.gz PNNCVRRFXKJKEP-ZKYQVNSYSA-N 0 0 318.377 0.194 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000128030623 525328482 /nfs/dbraw/zinc/32/84/82/525328482.db2.gz YYICOVXJOVYBSO-CQSZACIVSA-N 0 0 316.361 0.960 10 0 DCAERN C[S@@](=O)CCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000154840529 525362668 /nfs/dbraw/zinc/36/26/68/525362668.db2.gz ZCCDQWINAXMWSI-XCLFUZPHSA-N 0 0 320.480 0.079 10 0 DCAERN C[S@](=O)CCC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000159951327 525381144 /nfs/dbraw/zinc/38/11/44/525381144.db2.gz JASAKAMTOMOAHT-LJQANCHMSA-N 0 0 300.346 0.852 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000190080248 525577616 /nfs/dbraw/zinc/57/76/16/525577616.db2.gz FWEVHYWEYIVRAS-AAEUAGOBSA-N 0 0 312.391 0.481 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000156456743 525639741 /nfs/dbraw/zinc/63/97/41/525639741.db2.gz BYCADKVEWLSNPG-VHSXEESVSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000156744668 525728828 /nfs/dbraw/zinc/72/88/28/525728828.db2.gz DGGFZRLSWBLIKA-IAQYHMDHSA-N 0 0 304.346 0.214 10 0 DCAERN C[C@H](C(=O)NCc1cccs1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000246949961 526090119 /nfs/dbraw/zinc/09/01/19/526090119.db2.gz FMXJPRXQDKIDGL-GHMZBOCLSA-N 0 0 316.448 0.872 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000364982402 526201485 /nfs/dbraw/zinc/20/14/85/526201485.db2.gz LHAGWRXQEODZCI-OLZOCXBDSA-N 0 0 313.398 0.350 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc(Cl)n1 ZINC000127317103 526258364 /nfs/dbraw/zinc/25/83/64/526258364.db2.gz ZYFUGBBTSLCOPS-SNVBAGLBSA-N 0 0 317.798 0.807 10 0 DCAERN O=C(C1CCCCC1)N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000153602503 526299933 /nfs/dbraw/zinc/29/99/33/526299933.db2.gz WQZAJRBXHDQLBT-CQSZACIVSA-N 0 0 309.410 0.226 10 0 DCAERN O=C(CC1CCC2(CC1)OCCO2)N1CCN2CCOC[C@H]2C1 ZINC000365003017 526351811 /nfs/dbraw/zinc/35/18/11/526351811.db2.gz RMGALQOGQLEZEO-OAHLLOKOSA-N 0 0 324.421 0.853 10 0 DCAERN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCNC(=O)CC1 ZINC000121129679 526598904 /nfs/dbraw/zinc/59/89/04/526598904.db2.gz OFLLPUFWOYQXTM-UHFFFAOYSA-N 0 0 303.293 0.629 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000176229619 526642140 /nfs/dbraw/zinc/64/21/40/526642140.db2.gz YOUVISSBSGAMLS-LLVKDONJSA-N 0 0 321.343 0.998 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000176934787 526656491 /nfs/dbraw/zinc/65/64/91/526656491.db2.gz XAAXWONVYTYZEZ-LSDHHAIUSA-N 0 0 309.410 0.178 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)NCCCc1ccccn1 ZINC000178611630 526753491 /nfs/dbraw/zinc/75/34/91/526753491.db2.gz GINBWROUVOZYGR-UHFFFAOYSA-N 0 0 320.393 0.163 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)NCc1ccco1 ZINC000170650788 526783641 /nfs/dbraw/zinc/78/36/41/526783641.db2.gz KHPRZOMSYNFTAL-UHFFFAOYSA-N 0 0 301.350 0.508 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000249139962 526968867 /nfs/dbraw/zinc/96/88/67/526968867.db2.gz FLTRDPBDTNXUGP-MGAJPHDKSA-N 0 0 304.350 0.446 10 0 DCAERN O=C1CN(c2ccc3nnnn3n2)CCN1CC1CCCC1 ZINC000158325625 527007357 /nfs/dbraw/zinc/00/73/57/527007357.db2.gz LPYPMGSUEUHBSI-UHFFFAOYSA-N 0 0 301.354 0.358 10 0 DCAERN NC(=O)c1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cn1 ZINC000189302297 527064378 /nfs/dbraw/zinc/06/43/78/527064378.db2.gz IAMNQEWCOWLPCM-CQSZACIVSA-N 0 0 318.377 0.762 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)ccc2o1 ZINC000189535716 527124248 /nfs/dbraw/zinc/12/42/48/527124248.db2.gz MYJUXFQLQGCBJT-GFCCVEGCSA-N 0 0 318.333 0.701 10 0 DCAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cnn(CC(F)F)c1 ZINC000187170592 527223527 /nfs/dbraw/zinc/22/35/27/527223527.db2.gz JRSJZAGEYLKKIL-ONGXEEELSA-N 0 0 323.365 0.978 10 0 DCAERN Cn1cc(NC(=O)CCc2ccc(F)cc2F)c(=O)n(C)c1=O ZINC000156578210 527263340 /nfs/dbraw/zinc/26/33/40/527263340.db2.gz HCPBXCTUPNKYFP-UHFFFAOYSA-N 0 0 323.299 0.934 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCOC[C@H](O)C2)cc1 ZINC000295614989 527311470 /nfs/dbraw/zinc/31/14/70/527311470.db2.gz OAGOXAMMDGQHSN-IAQYHMDHSA-N 0 0 306.362 0.909 10 0 DCAERN O=C(Cn1cccn1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159163951 527387040 /nfs/dbraw/zinc/38/70/40/527387040.db2.gz JOYSWXYABIJESJ-STQMWFEESA-N 0 0 305.334 0.827 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CS(=O)(=O)CC(C)C ZINC000119852550 527623144 /nfs/dbraw/zinc/62/31/44/527623144.db2.gz VGVUNUIARLVGCF-UHFFFAOYSA-N 0 0 315.439 0.766 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)CNC(=O)c1cccnc1 ZINC000164903079 527633405 /nfs/dbraw/zinc/63/34/05/527633405.db2.gz MHJADFQTUODAHL-UHFFFAOYSA-N 0 0 301.350 0.478 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000133097972 527654534 /nfs/dbraw/zinc/65/45/34/527654534.db2.gz WHMFGPNBPCVWSV-NSHDSACASA-N 0 0 304.354 0.138 10 0 DCAERN O=C(NCCCNC(=O)N1CC(CO)C1)c1ccc(F)cc1 ZINC000188810419 527675130 /nfs/dbraw/zinc/67/51/30/527675130.db2.gz AXCWACUYRPEZBR-UHFFFAOYSA-N 0 0 309.341 0.579 10 0 DCAERN CC(C)[C@](C)(O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178745221 527966361 /nfs/dbraw/zinc/96/63/61/527966361.db2.gz PYLNRZUMSCKSMX-CYBMUJFWSA-N 0 0 300.380 0.471 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)C2)C1 ZINC000133381124 528438727 /nfs/dbraw/zinc/43/87/27/528438727.db2.gz ZIAVLNXIKRLCME-KBPBESRZSA-N 0 0 324.425 0.555 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000155036827 528607718 /nfs/dbraw/zinc/60/77/18/528607718.db2.gz KHYYETCLPGZJMS-JHJVBQTASA-N 0 0 322.471 0.973 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)CCO ZINC000177840823 528805945 /nfs/dbraw/zinc/80/59/45/528805945.db2.gz WAOVJCPZQTZGLN-GFCCVEGCSA-N 0 0 320.455 0.715 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185106272 529229723 /nfs/dbraw/zinc/22/97/23/529229723.db2.gz ADOFRTYUNWIUHT-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(C)(F)F ZINC000454866589 535430312 /nfs/dbraw/zinc/43/03/12/535430312.db2.gz CCZOGHWCWVHWFQ-RKDXNWHRSA-N 0 0 323.340 0.787 10 0 DCAERN CCO[C@@H]1C[C@@](O)(CNc2ccc(C(=O)NC)nn2)C1(C)C ZINC000276810911 535446860 /nfs/dbraw/zinc/44/68/60/535446860.db2.gz CHPSWIVFPLYESY-IAQYHMDHSA-N 0 0 308.382 0.814 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCc2cn[nH]c2)CC12COC2 ZINC000454973420 535668479 /nfs/dbraw/zinc/66/84/79/535668479.db2.gz MIYZWJMFSJPTDJ-GFCCVEGCSA-N 0 0 322.365 0.173 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000284781005 536775653 /nfs/dbraw/zinc/77/56/53/536775653.db2.gz YCZDYTKDYLTFHZ-KBPBESRZSA-N 0 0 323.368 0.359 10 0 DCAERN CC(C)[NH2+][C@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678718 545663917 /nfs/dbraw/zinc/66/39/17/545663917.db2.gz GUCFOMBNUVAPNT-MRVPVSSYSA-N 0 0 323.134 0.939 10 0 DCAERN CCC[NH2+][C@@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678475 545661711 /nfs/dbraw/zinc/66/17/11/545661711.db2.gz GFPCYAHFELEODR-QMMMGPOBSA-N 0 0 323.134 0.941 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1N[C@@H]1CCC(=O)N(C)C1 ZINC000084089017 545698368 /nfs/dbraw/zinc/69/83/68/545698368.db2.gz NZGHNQSTZUZWFV-LLVKDONJSA-N 0 0 311.407 0.970 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2cscn2)O1 ZINC000091630614 545719181 /nfs/dbraw/zinc/71/91/81/545719181.db2.gz AHOGGOZDXYXTAW-GHMZBOCLSA-N 0 0 312.395 0.578 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCn1cccn1 ZINC000122547297 545752266 /nfs/dbraw/zinc/75/22/66/545752266.db2.gz KPJFNKOMCYRGMI-NSHDSACASA-N 0 0 303.370 0.871 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1S(C)(=O)=O ZINC000129169480 545782718 /nfs/dbraw/zinc/78/27/18/545782718.db2.gz ONDGJSUVZZGRCU-GXSJLCMTSA-N 0 0 310.375 0.862 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000133188682 545796669 /nfs/dbraw/zinc/79/66/69/545796669.db2.gz RDNOPSIZOSLPNX-MNOVXSKESA-N 0 0 306.428 0.324 10 0 DCAERN CCc1cc(NC(=O)c2ccc(CNS(C)(=O)=O)o2)n[nH]1 ZINC000133136946 545797824 /nfs/dbraw/zinc/79/78/24/545797824.db2.gz PNQNDGBKKNRQKZ-UHFFFAOYSA-N 0 0 312.351 0.867 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CCNC(=O)CC1 ZINC000151834724 545820431 /nfs/dbraw/zinc/82/04/31/545820431.db2.gz JTQQZQGKGOADON-ZDUSSCGKSA-N 0 0 322.409 0.309 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C1 ZINC000176099847 545887696 /nfs/dbraw/zinc/88/76/96/545887696.db2.gz HOTLXXVWTBBSGP-IINYFYTJSA-N 0 0 304.346 0.809 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177968300 545893618 /nfs/dbraw/zinc/89/36/18/545893618.db2.gz LWRZZQRTERWDAH-OLZOCXBDSA-N 0 0 306.366 0.651 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)C(C)C ZINC000179083067 545897959 /nfs/dbraw/zinc/89/79/59/545897959.db2.gz OESPZDQZVRCYRU-GFCCVEGCSA-N 0 0 321.381 0.118 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188321526 545917072 /nfs/dbraw/zinc/91/70/72/545917072.db2.gz CNUQNEVJVSLNLQ-UHFFFAOYSA-N 0 0 308.363 0.327 10 0 DCAERN O=C(NC[C@@H]1CC[C@H](O)C1)Nc1cnn(-c2ncccn2)c1 ZINC000189703681 545922021 /nfs/dbraw/zinc/92/20/21/545922021.db2.gz JRPNXWJOSNOWKN-PWSUYJOCSA-N 0 0 302.338 0.945 10 0 DCAERN CCCN1CCCN(C(=O)NCCCn2ccnn2)CC1=O ZINC000190240898 545922954 /nfs/dbraw/zinc/92/29/54/545922954.db2.gz JJFUDONKXIFWJM-UHFFFAOYSA-N 0 0 308.386 0.322 10 0 DCAERN CCN1CN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1=O ZINC000192276233 545928257 /nfs/dbraw/zinc/92/82/57/545928257.db2.gz SZBPJHYJTDZIMU-UHFFFAOYSA-N 0 0 314.349 0.980 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@@H]1C ZINC000249174567 545970895 /nfs/dbraw/zinc/97/08/95/545970895.db2.gz LWOQIPPRTDROJO-QJPTWQEYSA-N 0 0 304.412 0.294 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000250329028 545973181 /nfs/dbraw/zinc/97/31/81/545973181.db2.gz BYUDCBQEWPCXSE-WDEREUQCSA-N 0 0 312.395 0.192 10 0 DCAERN O=c1[nH]c(=O)n(C[C@@H]2CCOC2)cc1I ZINC000307107695 546021043 /nfs/dbraw/zinc/02/10/43/546021043.db2.gz ZLZCJFKSENNXTJ-LURJTMIESA-N 0 0 322.102 0.590 10 0 DCAERN C[C@@H]1CN(c2ncc(I)cn2)CC(=O)N1 ZINC000306960367 546021128 /nfs/dbraw/zinc/02/11/28/546021128.db2.gz YYIMIPNLKBMSPJ-ZCFIWIBFSA-N 0 0 318.118 0.406 10 0 DCAERN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@](O)(CO)C1 ZINC000313792564 546023899 /nfs/dbraw/zinc/02/38/99/546023899.db2.gz KFTRNHNPNWUBTI-LBPRGKRZSA-N 0 0 323.773 0.987 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1CCC(O)(CO)CC1 ZINC000313647365 546024328 /nfs/dbraw/zinc/02/43/28/546024328.db2.gz WRFDZXVHWNLHGV-UHFFFAOYSA-N 0 0 306.406 0.854 10 0 DCAERN CC(C)C[C@@H](CNc1nccn2cnnc12)N1CCOCC1 ZINC000329760782 546054925 /nfs/dbraw/zinc/05/49/25/546054925.db2.gz QQBJAVZDVUDBJN-ZDUSSCGKSA-N 0 0 304.398 1.283 10 0 DCAERN C[C@]12CCCN1C(=O)N(C[C@H]1CCCCS1(=O)=O)C2=O ZINC000330340636 546057501 /nfs/dbraw/zinc/05/75/01/546057501.db2.gz YEFNLHKXWTUYRZ-ZWNOBZJWSA-N 0 0 300.380 0.770 10 0 DCAERN O=C(NC1CN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C1)C1CCC1 ZINC000332847956 546063816 /nfs/dbraw/zinc/06/38/16/546063816.db2.gz JCSCYLNVAIIHBY-KWCYVHTRSA-N 0 0 308.378 0.165 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000333581449 546085692 /nfs/dbraw/zinc/08/56/92/546085692.db2.gz RLAPXYJFAPRDMB-GFCCVEGCSA-N 0 0 320.393 0.120 10 0 DCAERN COCCC(=O)N1CCC(N2C(=O)N3CCC[C@]3(C)C2=O)CC1 ZINC000348929830 546156158 /nfs/dbraw/zinc/15/61/58/546156158.db2.gz APXBSYPAQAFQLO-MRXNPFEDSA-N 0 0 323.393 0.831 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cs1 ZINC000381283596 546215805 /nfs/dbraw/zinc/21/58/05/546215805.db2.gz LVQNYWJTVBCLDC-SNVBAGLBSA-N 0 0 317.436 0.702 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000401890813 546225862 /nfs/dbraw/zinc/22/58/62/546225862.db2.gz NUINPIZKYXEMTN-ZDUSSCGKSA-N 0 0 303.355 0.988 10 0 DCAERN O=C1NC(=O)N2CCN(c3ncnc4c(F)cccc43)C[C@@H]12 ZINC000575443807 546298913 /nfs/dbraw/zinc/29/89/13/546298913.db2.gz ONPVKJWKSWHHNN-JTQLQIEISA-N 0 0 301.281 0.509 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000670001063 547039926 /nfs/dbraw/zinc/03/99/26/547039926.db2.gz BDJJDDZIFOLWDY-ZDUSSCGKSA-N 0 0 315.373 0.897 10 0 DCAERN CCOc1ncccc1C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671604635 547265242 /nfs/dbraw/zinc/26/52/42/547265242.db2.gz DGBKYPZEBBXMTP-HNNXBMFYSA-N 0 0 317.349 0.349 10 0 DCAERN Cc1cn2nc(N[C@@H]3CCN(Cc4cnnn4C)C3)ccc2n1 ZINC000681920923 548324746 /nfs/dbraw/zinc/32/47/46/548324746.db2.gz NYOBRSFNZHPNHQ-GFCCVEGCSA-N 0 0 312.381 0.853 10 0 DCAERN CC[C@H](O)c1cn(CCOC2CCS(=O)(=O)CC2)nn1 ZINC000725270442 548749931 /nfs/dbraw/zinc/74/99/31/548749931.db2.gz MZWWDCPKSPJSPF-LBPRGKRZSA-N 0 0 303.384 0.315 10 0 DCAERN CN1[C@]2(CCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256317 548749492 /nfs/dbraw/zinc/74/94/92/548749492.db2.gz DJVMJIMBMNZZRC-LBPRGKRZSA-N 0 0 304.368 0.210 10 0 DCAERN C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NS(C)(=O)=O ZINC000725273109 548750072 /nfs/dbraw/zinc/75/00/72/548750072.db2.gz ZATWXYFBDXJOQN-WPRPVWTQSA-N 0 0 304.441 0.485 10 0 DCAERN COC(=O)C[C@H](C)NC(=O)c1c(Br)nnn1C ZINC000310127896 660788004 /nfs/dbraw/zinc/78/80/04/660788004.db2.gz JUOYAROBUMDEOQ-YFKPBYRVSA-N 0 0 305.132 0.259 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000310132973 660854852 /nfs/dbraw/zinc/85/48/52/660854852.db2.gz LCCDDADULRGVIQ-RNFRBKRXSA-N 0 0 303.160 0.611 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)c2ccc(C)nc2C)CC1 ZINC000053953518 660929978 /nfs/dbraw/zinc/92/99/78/660929978.db2.gz QHGHRQXDSWMNJY-UHFFFAOYSA-N 0 0 319.361 0.546 10 0 DCAERN Cc1nccnc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888100708 661179112 /nfs/dbraw/zinc/17/91/12/661179112.db2.gz KBVBZUQNZMXVTO-NWDGAFQWSA-N 0 0 303.322 0.095 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1cnn(C)c1 ZINC000179928761 665413385 /nfs/dbraw/zinc/41/33/85/665413385.db2.gz XQTAMJWGSICGKQ-NSHDSACASA-N 0 0 301.368 0.530 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255093388 657467201 /nfs/dbraw/zinc/46/72/01/657467201.db2.gz OJCPKFGUFPHMJU-VDBIKXPHSA-N 0 0 310.419 0.986 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC000255396829 657741677 /nfs/dbraw/zinc/74/16/77/657741677.db2.gz JYEVFRVVSYUYKM-ZFDPJTLLSA-N 0 0 304.350 0.081 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)CC1 ZINC000254965049 657952614 /nfs/dbraw/zinc/95/26/14/657952614.db2.gz CXJXMFZDJDTCGT-NSHDSACASA-N 0 0 305.382 0.036 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@@H](CCO)C1CCCC1 ZINC000725036007 658041124 /nfs/dbraw/zinc/04/11/24/658041124.db2.gz BQLSSZGCNDSPBA-ZDUSSCGKSA-N 0 0 309.428 0.508 10 0 DCAERN C[C@@H](CNC(=O)c1cccnc1-n1cccn1)N1CCOCC1 ZINC000121709034 658139722 /nfs/dbraw/zinc/13/97/22/658139722.db2.gz JBKQNNWXQBKBBT-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN C#CCCN1CCN(C(=O)[C@H]2CSCN2C(=O)CC)CC1 ZINC000076206350 658301723 /nfs/dbraw/zinc/30/17/23/658301723.db2.gz ZJIVJAUWDZHCHE-CYBMUJFWSA-N 0 0 309.435 0.465 10 0 DCAERN C[C@@H](NC(=O)C1([NH3+])CCOCC1)C(=O)NCc1ccccc1 ZINC000261809815 658384148 /nfs/dbraw/zinc/38/41/48/658384148.db2.gz JNTHFDNPJQMUSL-GFCCVEGCSA-N 0 0 305.378 0.315 10 0 DCAERN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1F ZINC000724545878 658434399 /nfs/dbraw/zinc/43/43/99/658434399.db2.gz FNMUWNZEIGIDTQ-SCVCMEIPSA-N 0 0 301.339 0.908 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000050899797 658502137 /nfs/dbraw/zinc/50/21/37/658502137.db2.gz BCWWQFQHMCUEIM-LLVKDONJSA-N 0 0 309.370 0.260 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC[C@H]2CC(=O)N(C)C2)c1Cl ZINC000723353168 658640108 /nfs/dbraw/zinc/64/01/08/658640108.db2.gz QWKGPRUSCKMVOK-QMMMGPOBSA-N 0 0 320.802 0.220 10 0 DCAERN CC(C)CN(CC(N)=O)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255830624 658647192 /nfs/dbraw/zinc/64/71/92/658647192.db2.gz JGCDAUPYBFLFRD-LBPRGKRZSA-N 0 0 321.425 0.658 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000255546872 658678916 /nfs/dbraw/zinc/67/89/16/658678916.db2.gz KZMZKDULEADFCF-WJDZFGBRSA-N 0 0 303.362 0.874 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OC[C@@]1(C)CCCO1)c2=O ZINC000177225685 658720782 /nfs/dbraw/zinc/72/07/82/658720782.db2.gz BHKGDDIAYNICQN-CQSZACIVSA-N 0 0 306.322 0.242 10 0 DCAERN COC[C@]1(C(=O)[O-])CCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000888079161 658730009 /nfs/dbraw/zinc/73/00/09/658730009.db2.gz GGKNZIAITZDXAN-HNNXBMFYSA-N 0 0 307.350 0.853 10 0 DCAERN CS(=O)(=O)c1ccc(CNC(=O)C[C@@H](N)C(F)F)cc1 ZINC000724716867 658923230 /nfs/dbraw/zinc/92/32/30/658923230.db2.gz RVWUBQVCQBWVCJ-SNVBAGLBSA-N 0 0 306.334 0.689 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000125339060 659116538 /nfs/dbraw/zinc/11/65/38/659116538.db2.gz VQMREAHZJFRHGY-YPMHNXCESA-N 0 0 313.361 0.993 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000182820820 659142472 /nfs/dbraw/zinc/14/24/72/659142472.db2.gz JQODULCVXFNTQX-HNNXBMFYSA-N 0 0 322.340 0.924 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)s1 ZINC000311756341 659359682 /nfs/dbraw/zinc/35/96/82/659359682.db2.gz VTRZKKXLJYHIFS-BDAKNGLRSA-N 0 0 306.409 0.981 10 0 DCAERN Cc1ccn(C)c1C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000190736339 659372552 /nfs/dbraw/zinc/37/25/52/659372552.db2.gz OBJSXIWREBWCND-UHFFFAOYSA-N 0 0 303.384 0.229 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1CNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000892825109 659473030 /nfs/dbraw/zinc/47/30/30/659473030.db2.gz RTAGZARNWNQPED-MWLCHTKSSA-N 0 0 321.381 0.433 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000194169133 659483545 /nfs/dbraw/zinc/48/35/45/659483545.db2.gz QVIJLGKNIFPHKH-DTWKUNHWSA-N 0 0 300.309 0.922 10 0 DCAERN O=C(NC[C@H]1COCCO1)N[C@H]1CCN(c2ccccc2)C1 ZINC000332793215 659757034 /nfs/dbraw/zinc/75/70/34/659757034.db2.gz BJBKFMCHQVCRCD-ZFWWWQNUSA-N 0 0 305.378 0.980 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000333136525 659771325 /nfs/dbraw/zinc/77/13/25/659771325.db2.gz JLWAQNSYXWQTRR-GHMZBOCLSA-N 0 0 317.393 0.793 10 0 DCAERN C[C@@H](CNC(=O)NCCCn1ccnn1)CC1(C)OCCO1 ZINC000181978232 665702558 /nfs/dbraw/zinc/70/25/58/665702558.db2.gz SWYPUCNWVCBTDV-GFCCVEGCSA-N 0 0 311.386 0.757 10 0 DCAERN Cc1csc([C@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)n1 ZINC000182275448 665763508 /nfs/dbraw/zinc/76/35/08/665763508.db2.gz STBXEFFLDCMKFF-SNVBAGLBSA-N 0 0 310.379 0.676 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(CN2CC(=O)N(C)C2=O)CC1 ZINC000182276586 665764125 /nfs/dbraw/zinc/76/41/25/665764125.db2.gz JEZBLWLRYJLPON-GFCCVEGCSA-N 0 0 324.425 0.711 10 0 DCAERN CNS(=O)(=O)c1ccc2oc(C(=O)NC[C@@H](C)O)cc2c1 ZINC000222811749 661634477 /nfs/dbraw/zinc/63/44/77/661634477.db2.gz QBSQMZCUDZMCEN-MRVPVSSYSA-N 0 0 312.347 0.452 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000338953153 661809094 /nfs/dbraw/zinc/80/90/94/661809094.db2.gz QZTMSMFRUBMVID-GFCCVEGCSA-N 0 0 323.374 0.411 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000438133487 661964747 /nfs/dbraw/zinc/96/47/47/661964747.db2.gz UVNWJXNYVVCGCD-GIGQVBGESA-N 0 0 304.437 0.325 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(C)C ZINC000178926597 662028260 /nfs/dbraw/zinc/02/82/60/662028260.db2.gz FMVSHODOSQXIMS-JTQLQIEISA-N 0 0 305.787 0.784 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2ccsc2)C[C@@H](C)O1 ZINC000182465603 665824766 /nfs/dbraw/zinc/82/47/66/665824766.db2.gz FOWSFLSMPCQWMP-FOGDFJRCSA-N 0 0 320.436 0.725 10 0 DCAERN COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CSC(=O)N1 ZINC000098018145 662268037 /nfs/dbraw/zinc/26/80/37/662268037.db2.gz WDCBGAAMYOROTF-NXEZZACHSA-N 0 0 316.379 0.382 10 0 DCAERN CS(=O)(=O)CCNC(=S)N1CC(=O)Nc2ccccc21 ZINC000729157665 662639853 /nfs/dbraw/zinc/63/98/53/662639853.db2.gz DNHXKMQUVUKBEE-UHFFFAOYSA-N 0 0 313.404 0.364 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729294038 662763765 /nfs/dbraw/zinc/76/37/65/662763765.db2.gz CPVPAPOLQWAAGV-KKUMJFAQSA-N 0 0 315.410 0.770 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729294039 662764001 /nfs/dbraw/zinc/76/40/01/662764001.db2.gz CPVPAPOLQWAAGV-RRFJBIMHSA-N 0 0 315.410 0.770 10 0 DCAERN CNC(=O)c1ccc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cn1 ZINC000729714400 662907924 /nfs/dbraw/zinc/90/79/24/662907924.db2.gz PHBXDOANCMIYLB-GFCCVEGCSA-N 0 0 307.350 0.711 10 0 DCAERN C[C@@H](O)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000346480468 663200581 /nfs/dbraw/zinc/20/05/81/663200581.db2.gz UIKTVBBMAAYDOY-DTWKUNHWSA-N 0 0 306.409 0.302 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCc2cc(C(N)=O)no2)[nH]1 ZINC000436176810 663432441 /nfs/dbraw/zinc/43/24/41/663432441.db2.gz PPFXFSDJXDXHFO-UHFFFAOYSA-N 0 0 300.278 0.283 10 0 DCAERN CC[C@H](O)[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000907575493 663706139 /nfs/dbraw/zinc/70/61/39/663706139.db2.gz CBRWFCQAHSEHLR-AGIUHOORSA-N 0 0 321.425 0.499 10 0 DCAERN O=C(CSCC(F)(F)F)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909177287 663783884 /nfs/dbraw/zinc/78/38/84/663783884.db2.gz YWSSVYWUONBHTJ-MRTMQBJTSA-N 0 0 309.313 0.969 10 0 DCAERN O=C(Cc1cnn2ccccc12)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909193058 663786185 /nfs/dbraw/zinc/78/61/85/663786185.db2.gz HPWPHPNAWSBJLR-XPKDYRNWSA-N 0 0 311.345 0.564 10 0 DCAERN CC(C)(C)OC(=O)N1CC(CC(=O)N2CCOC[C@@H]2CO)C1 ZINC000912419508 664173896 /nfs/dbraw/zinc/17/38/96/664173896.db2.gz CMYDPPFYWFBSED-LBPRGKRZSA-N 0 0 314.382 0.463 10 0 DCAERN COc1cccc(CCC(=O)N2CCOC[C@H]2CO)c1OC ZINC000912427436 664175208 /nfs/dbraw/zinc/17/52/08/664175208.db2.gz KWWMPXVLYANCSZ-CYBMUJFWSA-N 0 0 309.362 0.856 10 0 DCAERN O=S(=O)(N1C[C@@H]2CCC[C@@H]2C1)N1CCC2(CC1)OCCO2 ZINC000164409829 664377896 /nfs/dbraw/zinc/37/78/96/664377896.db2.gz NZUFCNKJVFUMSY-BETUJISGSA-N 0 0 316.423 0.802 10 0 DCAERN O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-n2cnnc2)nc1 ZINC000223051003 664398962 /nfs/dbraw/zinc/39/89/62/664398962.db2.gz RIMJRZVFDPMPNJ-HNNXBMFYSA-N 0 0 323.356 0.996 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2nn3c(c2F)OCC3)C1 ZINC000223846056 664425885 /nfs/dbraw/zinc/42/58/85/664425885.db2.gz KVNCGMHWTXLMSS-SNVBAGLBSA-N 0 0 324.356 0.791 10 0 DCAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCO)c1 ZINC000157878473 664513936 /nfs/dbraw/zinc/51/39/36/664513936.db2.gz NFDXJCAYVCQCQA-UHFFFAOYSA-N 0 0 306.771 0.312 10 0 DCAERN Cc1cc(-c2nnc(SC[C@H](O)COC(C)C)n2N)n[nH]1 ZINC000157964600 664518782 /nfs/dbraw/zinc/51/87/82/664518782.db2.gz ARYDHCBCUBDWAO-SECBINFHSA-N 0 0 312.399 0.568 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCOC[C@H]1CO ZINC000168499253 664524952 /nfs/dbraw/zinc/52/49/52/664524952.db2.gz ZQLVPIVUPSBMMI-LLVKDONJSA-N 0 0 313.375 0.232 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000227084339 664525737 /nfs/dbraw/zinc/52/57/37/664525737.db2.gz LCCLYSKTYCIIDO-MNOVXSKESA-N 0 0 311.407 0.852 10 0 DCAERN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCOC[C@H]1CO ZINC000168598933 664526490 /nfs/dbraw/zinc/52/64/90/664526490.db2.gz NAKYJBDLKHHERY-SNVBAGLBSA-N 0 0 313.737 0.945 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1Cl ZINC000168674834 664529511 /nfs/dbraw/zinc/52/95/11/664529511.db2.gz VFXPMEKPLDMEFU-SECBINFHSA-N 0 0 321.782 0.730 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000170196526 664574202 /nfs/dbraw/zinc/57/42/02/664574202.db2.gz VCLRWWPIBOVHMH-LSDHHAIUSA-N 0 0 318.373 0.255 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)OCCn1c2ccccc2oc1=O ZINC000171228711 664605169 /nfs/dbraw/zinc/60/51/69/664605169.db2.gz ADIIDEBDKRPRIM-VHSXEESVSA-N 0 0 305.286 0.947 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCn3ccnc3C2)c1Cl ZINC000062253984 664615119 /nfs/dbraw/zinc/61/51/19/664615119.db2.gz OLGRWGAGQULOTR-UHFFFAOYSA-N 0 0 301.759 0.475 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccccc1 ZINC000172404559 664620793 /nfs/dbraw/zinc/62/07/93/664620793.db2.gz PSMNXMZQMWCUFI-KRWDZBQOSA-N 0 0 313.357 0.835 10 0 DCAERN O=c1oc2ccccc2n1CN1CC[C@H](N2CCOCC2)C1 ZINC000172961928 664626038 /nfs/dbraw/zinc/62/60/38/664626038.db2.gz IJADQZXJUDIGGU-ZDUSSCGKSA-N 0 0 303.362 0.959 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC000173463871 664629387 /nfs/dbraw/zinc/62/93/87/664629387.db2.gz RPVQHTCFXXPKMA-VIFPVBQESA-N 0 0 315.377 0.892 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCSC(F)(F)F ZINC000231945459 664634005 /nfs/dbraw/zinc/63/40/05/664634005.db2.gz BZXRKXPGMPQEAN-ZETCQYMHSA-N 0 0 320.358 0.132 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CC[C@H](N3CCOCC3)C2)n1 ZINC000173976760 664634444 /nfs/dbraw/zinc/63/44/44/664634444.db2.gz VSLGCNLMTHIJHP-LBPRGKRZSA-N 0 0 302.382 0.583 10 0 DCAERN O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000174606374 664640687 /nfs/dbraw/zinc/64/06/87/664640687.db2.gz ONOQAQKFBLOIIY-ZIAGYGMSSA-N 0 0 316.357 0.714 10 0 DCAERN CCOCc1nc(Cl)cc(N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC000130149713 664692551 /nfs/dbraw/zinc/69/25/51/664692551.db2.gz PWABYANGKBBVLA-SECBINFHSA-N 0 0 311.773 0.880 10 0 DCAERN C[C@@H]1CN(Cn2ncn(C3CC3)c2=S)CCS1(=O)=O ZINC000151586902 664707337 /nfs/dbraw/zinc/70/73/37/664707337.db2.gz TVMPNNPQTMOLQU-SECBINFHSA-N 0 0 302.425 0.825 10 0 DCAERN CC(C)N1C(=O)CN(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000152813041 664775065 /nfs/dbraw/zinc/77/50/65/664775065.db2.gz ABAXZYPEQZDBON-CYBMUJFWSA-N 0 0 321.381 0.214 10 0 DCAERN O=c1n(CN2CCO[C@H](Cn3cccn3)C2)nc2ccccn21 ZINC000152828160 664775579 /nfs/dbraw/zinc/77/55/79/664775579.db2.gz LZULLMPIEGHUEU-ZDUSSCGKSA-N 0 0 314.349 0.051 10 0 DCAERN CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CNC(=O)N2)cc1 ZINC000732360467 664919385 /nfs/dbraw/zinc/91/93/85/664919385.db2.gz GIJFDAWXLHPXKB-LLVKDONJSA-N 0 0 305.290 0.052 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CNC(=O)N2)c1C ZINC000732364581 664922550 /nfs/dbraw/zinc/92/25/50/664922550.db2.gz URYPRNVEVSESCR-UWVGGRQHSA-N 0 0 321.333 0.630 10 0 DCAERN Cc1ccc(CCC(=O)NCCOC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000170838356 665318789 /nfs/dbraw/zinc/31/87/89/665318789.db2.gz AQYLVHSSULQJCC-AWEZNQCLSA-N 0 0 318.373 0.723 10 0 DCAERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCOC1 ZINC000175294929 665320778 /nfs/dbraw/zinc/32/07/78/665320778.db2.gz UUVXDURYTVXXNI-KOBKQOIESA-N 0 0 308.334 0.065 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000068056630 665393365 /nfs/dbraw/zinc/39/33/65/665393365.db2.gz NSDIIPAMJYCKHF-NSHDSACASA-N 0 0 304.412 0.184 10 0 DCAERN Cc1occc1COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000073535833 665400210 /nfs/dbraw/zinc/40/02/10/665400210.db2.gz OLPKPEYHHKQKEY-SNAWJCMRSA-N 0 0 304.302 0.742 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H](O)c1cccc(F)c1 ZINC000183519333 666059474 /nfs/dbraw/zinc/05/94/74/666059474.db2.gz TUFUUXDVWJCJNA-CYBMUJFWSA-N 0 0 307.329 0.840 10 0 DCAERN O=C(CNC(=O)NCCCn1ccnn1)OCc1ccccc1 ZINC000183538733 666062002 /nfs/dbraw/zinc/06/20/02/666062002.db2.gz WJNMYGVYNKBQMW-UHFFFAOYSA-N 0 0 317.349 0.711 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NN=c1cc(Cl)[nH]c(N)n1 ZINC000183530121 666063612 /nfs/dbraw/zinc/06/36/12/666063612.db2.gz OYFGNNOFZUBBJV-ZCFIWIBFSA-N 0 0 324.728 0.567 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CCn2ccnc2C1 ZINC000585082798 666170609 /nfs/dbraw/zinc/17/06/09/666170609.db2.gz JZPPOIDEQRVWGU-NSHDSACASA-N 0 0 309.395 0.466 10 0 DCAERN CCCOC(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184062653 666180382 /nfs/dbraw/zinc/18/03/82/666180382.db2.gz VCYIKDHIVAXXEL-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN C=CC(=O)NCCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000184162702 666186797 /nfs/dbraw/zinc/18/67/97/666186797.db2.gz PUIWKPDLDRRBFG-UHFFFAOYSA-N 0 0 303.362 0.452 10 0 DCAERN C[C@@H]1CC(OC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000184239409 666192430 /nfs/dbraw/zinc/19/24/30/666192430.db2.gz SDZADXSGTKHSPV-NXEZZACHSA-N 0 0 320.349 0.629 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCC[C@@H]1CCCO1)c2=O ZINC000184385053 666199521 /nfs/dbraw/zinc/19/95/21/666199521.db2.gz YVWMOSXAKNQADF-NSHDSACASA-N 0 0 320.349 0.632 10 0 DCAERN COC[C@@]1(C)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O ZINC000072095226 666207136 /nfs/dbraw/zinc/20/71/36/666207136.db2.gz BXFYQKBECJHGSM-OAHLLOKOSA-N 0 0 315.333 0.724 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](CCO)CC1 ZINC000422058666 666275808 /nfs/dbraw/zinc/27/58/08/666275808.db2.gz QKPJDHQPHBLVOS-OLZOCXBDSA-N 0 0 300.424 0.919 10 0 DCAERN C#C[C@@H](C)NC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000186124782 666689436 /nfs/dbraw/zinc/68/94/36/666689436.db2.gz LNWVOHQEJMSRMA-KGLIPLIRSA-N 0 0 320.437 0.783 10 0 DCAERN CN1CCOC[C@H]1CNS(=O)(=O)c1ccc(Cl)nc1F ZINC000700244887 666702302 /nfs/dbraw/zinc/70/23/02/666702302.db2.gz RLIKATUBUBOVIZ-MRVPVSSYSA-N 0 0 323.777 0.483 10 0 DCAERN CC[S@](=O)CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000733879899 666823604 /nfs/dbraw/zinc/82/36/04/666823604.db2.gz RWCAHRVWHQPEJR-QFIPXVFZSA-N 0 0 324.402 0.687 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000733882589 666823856 /nfs/dbraw/zinc/82/38/56/666823856.db2.gz OWKVBQFMSAQGQZ-JOCHJYFZSA-N 0 0 319.386 0.731 10 0 DCAERN CC[S@](=O)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000733883054 666824250 /nfs/dbraw/zinc/82/42/50/666824250.db2.gz UQNMCLGAADCNQU-QFIPXVFZSA-N 0 0 321.402 0.671 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000733899410 666824572 /nfs/dbraw/zinc/82/45/72/666824572.db2.gz IGCUDTQGZGMHIX-GOSISDBHSA-N 0 0 309.365 0.113 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000733962513 666832205 /nfs/dbraw/zinc/83/22/05/666832205.db2.gz NTXCRCJKNINFJG-FQEVSTJZSA-N 0 0 316.810 0.955 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000733964432 666832678 /nfs/dbraw/zinc/83/26/78/666832678.db2.gz PEUUKZYGTOVXJS-QKVFXAPYSA-N 0 0 310.375 0.661 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000733963299 666832773 /nfs/dbraw/zinc/83/27/73/666832773.db2.gz DBYFXBJJIRVBGN-SBKAZYGRSA-N 0 0 320.480 0.819 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)NCC[S@](=O)CC)CC1=O ZINC000733963644 666832776 /nfs/dbraw/zinc/83/27/76/666832776.db2.gz XMQOPDCMDWMXNZ-BIBXISHDSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000733967786 666832956 /nfs/dbraw/zinc/83/29/56/666832956.db2.gz YJNKFEMGENAFMN-RCDICMHDSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000733967784 666832994 /nfs/dbraw/zinc/83/29/94/666832994.db2.gz YJNKFEMGENAFMN-JLCFBVMHSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@](=O)CCNC(=O)CSc1nncn1C(C)C ZINC000733966748 666833258 /nfs/dbraw/zinc/83/32/58/666833258.db2.gz TVJFUEWGOVIXQD-IBGZPJMESA-N 0 0 304.441 0.836 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000735081620 666948557 /nfs/dbraw/zinc/94/85/57/666948557.db2.gz UEOONAQTQRHHSC-KRWDZBQOSA-N 0 0 310.828 0.923 10 0 DCAERN CCOC(=O)N[C@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000735109630 666948976 /nfs/dbraw/zinc/94/89/76/666948976.db2.gz DEHFUAFJVLRDLT-MQJDWESPSA-N 0 0 319.427 0.675 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000735116309 666956025 /nfs/dbraw/zinc/95/60/25/666956025.db2.gz HHOVBSGVHPMFEH-NRFANRHFSA-N 0 0 318.345 0.579 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1c(F)cccc1F ZINC000735201956 666968765 /nfs/dbraw/zinc/96/87/65/666968765.db2.gz SDVBMDKOFUAGJZ-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=S)NCc2ccccc2)CCO1 ZINC000735419881 666985294 /nfs/dbraw/zinc/98/52/94/666985294.db2.gz PZBBOZJPHCBLKR-CQSZACIVSA-N 0 0 307.419 0.898 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000702817687 666999945 /nfs/dbraw/zinc/99/99/45/666999945.db2.gz UCLHJVDZWRLWIQ-WOPDTQHZSA-N 0 0 314.382 0.509 10 0 DCAERN COC[C@@H](O)CNC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000735579805 667007292 /nfs/dbraw/zinc/00/72/92/667007292.db2.gz OHBNVLFLKSJBTL-LBPRGKRZSA-N 0 0 305.338 0.074 10 0 DCAERN COC(=O)c1sccc1CN1CC(NS(C)(=O)=O)C1 ZINC000702983940 667021415 /nfs/dbraw/zinc/02/14/15/667021415.db2.gz GXTXYTQLAHOPHT-UHFFFAOYSA-N 0 0 304.393 0.268 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2n[nH]c3c2CCC3)cn1 ZINC000862925419 667093659 /nfs/dbraw/zinc/09/36/59/667093659.db2.gz ITEDDLBHBLWTRE-QWHCGFSZSA-N 0 0 317.349 0.208 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000736658670 667213517 /nfs/dbraw/zinc/21/35/17/667213517.db2.gz DSMUXPKPXIAVKT-PVUDRZGPSA-N 0 0 305.444 0.163 10 0 DCAERN C[C@@H]1CN(Cn2nnn(C(C)(C)C)c2=S)C[C@H](C(N)=O)O1 ZINC000120226640 667281458 /nfs/dbraw/zinc/28/14/58/667281458.db2.gz OGZUFYRYCUFLJW-RKDXNWHRSA-N 0 0 314.415 0.096 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1C ZINC000120540799 667323758 /nfs/dbraw/zinc/32/37/58/667323758.db2.gz UQLZJVCPQBLNHG-PHIMTYICSA-N 0 0 322.409 0.568 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)c1ccc(C)c(C)c1 ZINC000023198167 667330592 /nfs/dbraw/zinc/33/05/92/667330592.db2.gz AKRWHIHYYPLLPC-UHFFFAOYSA-N 0 0 311.385 0.609 10 0 DCAERN COC(OC)[C@H](C)NC(=O)c1c(Br)cnn1C ZINC000710595051 667447020 /nfs/dbraw/zinc/44/70/20/667447020.db2.gz SOUWIRXTYOGKGD-LURJTMIESA-N 0 0 306.160 0.920 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(C(=O)NCC)C1 ZINC000121604199 667404749 /nfs/dbraw/zinc/40/47/49/667404749.db2.gz PSYJBLSJFAAZNP-UHFFFAOYSA-N 0 0 313.357 0.708 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCS1 ZINC000707348202 667437854 /nfs/dbraw/zinc/43/78/54/667437854.db2.gz QLPIRYQZZHRZDG-NEPJUHHUSA-N 0 0 320.480 0.363 10 0 DCAERN CC(C)N1CC[C@@H](NS(=O)(=O)c2cccnc2F)C1=O ZINC000709094836 667443797 /nfs/dbraw/zinc/44/37/97/667443797.db2.gz WLZQNWKKJHDYIT-SECBINFHSA-N 0 0 301.343 0.508 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709830714 667445705 /nfs/dbraw/zinc/44/57/05/667445705.db2.gz CKUMWOUIHQZXCG-DTWKUNHWSA-N 0 0 304.334 0.674 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000711090655 667448897 /nfs/dbraw/zinc/44/88/97/667448897.db2.gz VDFXHSBZLZEQII-RXMQYKEDSA-N 0 0 312.178 0.883 10 0 DCAERN CC[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)C(C)(C)C ZINC000711115206 667449144 /nfs/dbraw/zinc/44/91/44/667449144.db2.gz ZBOCPUUGHXDAFN-NSHDSACASA-N 0 0 305.444 0.797 10 0 DCAERN O=C1CN(S(=O)(=O)c2cccc3ncccc32)CCCN1 ZINC000134268402 667528367 /nfs/dbraw/zinc/52/83/67/667528367.db2.gz SJLFWWQYMUILNQ-UHFFFAOYSA-N 0 0 305.359 0.745 10 0 DCAERN C[C@@H]1c2sccc2CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000712287015 667626706 /nfs/dbraw/zinc/62/67/06/667626706.db2.gz XGZSGNUCGBKVET-PWSUYJOCSA-N 0 0 316.448 0.985 10 0 DCAERN O=C(CN1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@H]21 ZINC000136148641 667696955 /nfs/dbraw/zinc/69/69/55/667696955.db2.gz GTPAMBFNVPVAPG-CABCVRRESA-N 0 0 324.421 0.995 10 0 DCAERN COC(=O)c1ccc(=O)n(CN(C)CC(=O)OC(C)(C)C)n1 ZINC000739857392 667721849 /nfs/dbraw/zinc/72/18/49/667721849.db2.gz MIOPADJWUJDBFS-UHFFFAOYSA-N 0 0 311.338 0.261 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(Cc3ncc(Cl)n3C)C[C@H]21 ZINC000886045013 667726553 /nfs/dbraw/zinc/72/65/53/667726553.db2.gz XDTIZOZGQUBADE-NEPJUHHUSA-N 0 0 312.801 0.895 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2nnc(C)n2C2CC2)C1=O ZINC000886077682 667729110 /nfs/dbraw/zinc/72/91/10/667729110.db2.gz FYUMXTWLBQNDPL-GFCCVEGCSA-N 0 0 321.381 0.887 10 0 DCAERN CCn1ccnc1CNC(=O)CN1CCCC[C@H](OC)C1=O ZINC000886078462 667729400 /nfs/dbraw/zinc/72/94/00/667729400.db2.gz TZJDTORTZAJWSW-LBPRGKRZSA-N 0 0 308.382 0.547 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC000886080506 667729795 /nfs/dbraw/zinc/72/97/95/667729795.db2.gz ZYVLJOIZMGOFGV-MFKMUULPSA-N 0 0 304.354 0.663 10 0 DCAERN CC(=O)c1ccc(N2CCN(C(=O)CC(N)=O)CC2)c(F)c1 ZINC000740740741 667751692 /nfs/dbraw/zinc/75/16/92/667751692.db2.gz XJBAMYYNUFUIHY-UHFFFAOYSA-N 0 0 307.325 0.552 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000740916475 667754421 /nfs/dbraw/zinc/75/44/21/667754421.db2.gz DHXZUVGHYXOVOZ-FDMGOTLNSA-N 0 0 324.468 0.410 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000741424310 667771147 /nfs/dbraw/zinc/77/11/47/667771147.db2.gz KYBMRPZDVAUHPY-YLVJLNSGSA-N 0 0 302.318 0.728 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Oc1ccc(O[C@H](C)C(N)=O)cc1 ZINC000741633484 667773532 /nfs/dbraw/zinc/77/35/32/667773532.db2.gz ZKDKKNAQCPCJIM-YGRLFVJLSA-N 0 0 320.345 0.856 10 0 DCAERN COCCS(=O)(=O)CC(=O)N[C@](C)(COC)C(F)(F)F ZINC000742900331 667800638 /nfs/dbraw/zinc/80/06/38/667800638.db2.gz QPXUHNHBKGHVPR-SECBINFHSA-N 0 0 321.317 0.131 10 0 DCAERN COC[C@@](C)(NC(=O)CSc1nncn1C)C(F)(F)F ZINC000742900948 667800864 /nfs/dbraw/zinc/80/08/64/667800864.db2.gz VYPDAWHGBCMGSR-SECBINFHSA-N 0 0 312.317 0.991 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000126130807 668500261 /nfs/dbraw/zinc/50/02/61/668500261.db2.gz SUQVLDUEKUXXDK-NSHDSACASA-N 0 0 304.412 0.279 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1cccc(F)c1 ZINC000126477232 668601055 /nfs/dbraw/zinc/60/10/55/668601055.db2.gz HQYQVLYRCSVNLT-LBPRGKRZSA-N 0 0 300.355 0.219 10 0 DCAERN CC(=O)c1cccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126677256 668640121 /nfs/dbraw/zinc/64/01/21/668640121.db2.gz ZRGBLZYJZZCEDD-CYBMUJFWSA-N 0 0 310.375 0.604 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1nc2c(s1)CCC2 ZINC000126696624 668645509 /nfs/dbraw/zinc/64/55/09/668645509.db2.gz NLRMCJSUHXODTP-QMMMGPOBSA-N 0 0 315.420 0.347 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC(C1CC1)C1CC1 ZINC000126819349 668665939 /nfs/dbraw/zinc/66/59/39/668665939.db2.gz XXFAHSOEGNCBTK-LBPRGKRZSA-N 0 0 300.424 0.316 10 0 DCAERN C[C@H](c1ccc(F)nc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000930330550 668996718 /nfs/dbraw/zinc/99/67/18/668996718.db2.gz ZUMCUFFSEWOMBI-YPMHNXCESA-N 0 0 310.373 0.400 10 0 DCAERN CCn1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000933147915 669467012 /nfs/dbraw/zinc/46/70/12/669467012.db2.gz XSLUSLZGKHPYGC-GFCCVEGCSA-N 0 0 315.381 0.829 10 0 DCAERN O=C(N1CCN(c2cccnn2)CC1)C(F)(F)C1(O)CCC1 ZINC000130480391 669620448 /nfs/dbraw/zinc/62/04/48/669620448.db2.gz TUUKASGSBIXGFI-UHFFFAOYSA-N 0 0 312.320 0.676 10 0 DCAERN CCC1(CC)[C@H](OC)C[C@H]1OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000131122288 669657508 /nfs/dbraw/zinc/65/75/08/669657508.db2.gz DJJHLORFFBHKTM-VXGBXAGGSA-N 0 0 324.377 0.684 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCc1ccnn1C ZINC000041443341 669823785 /nfs/dbraw/zinc/82/37/85/669823785.db2.gz JRYVWPRRUPZOJM-CYBMUJFWSA-N 0 0 304.350 0.962 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCc1ccnn1C ZINC000041443338 669823972 /nfs/dbraw/zinc/82/39/72/669823972.db2.gz JRYVWPRRUPZOJM-ZDUSSCGKSA-N 0 0 304.350 0.962 10 0 DCAERN O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)nc1 ZINC000158739712 669928521 /nfs/dbraw/zinc/92/85/21/669928521.db2.gz NXPZEPVLXUQDHE-ZDUSSCGKSA-N 0 0 317.320 0.879 10 0 DCAERN COCCn1ccc(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000190804903 669929060 /nfs/dbraw/zinc/92/90/60/669929060.db2.gz XKDMHODUQRMERA-NSHDSACASA-N 0 0 307.350 0.697 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191397879 670016954 /nfs/dbraw/zinc/01/69/54/670016954.db2.gz LCYICYCUBFDXMW-ZDUSSCGKSA-N 0 0 318.377 0.948 10 0 DCAERN Cc1ccn(CN2CC[C@@](O)(C(F)(F)F)C2)c(=O)c1C#N ZINC000191432666 670023632 /nfs/dbraw/zinc/02/36/32/670023632.db2.gz MXOIXLABWOTPEA-LBPRGKRZSA-N 0 0 301.268 0.985 10 0 DCAERN CCN1CN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000191586298 670066715 /nfs/dbraw/zinc/06/67/15/670066715.db2.gz HZYBZFMJTFBOJY-VIFPVBQESA-N 0 0 317.349 0.305 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CCS(C)(=O)=O ZINC000076554388 670146292 /nfs/dbraw/zinc/14/62/92/670146292.db2.gz 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GKJHMKXAUSGJRZ-UHFFFAOYSA-N 0 0 302.334 0.235 10 0 DCAERN CCO[C@H]1C[C@@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000193123051 670240967 /nfs/dbraw/zinc/24/09/67/670240967.db2.gz WDGBSBFRMZIYGU-MFKMUULPSA-N 0 0 318.329 0.658 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)c1c(Br)nnn1C ZINC000716868865 670275266 /nfs/dbraw/zinc/27/52/66/670275266.db2.gz AUSIYPGSCMHRED-RNFRBKRXSA-N 0 0 305.176 0.857 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000194392269 670429660 /nfs/dbraw/zinc/42/96/60/670429660.db2.gz OUCLZFQYGMGLLL-QMMMGPOBSA-N 0 0 305.787 0.631 10 0 DCAERN CNS(=O)(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000190597448 670465233 /nfs/dbraw/zinc/46/52/33/670465233.db2.gz HRHWBERRNMQJNH-VQHVLOKHSA-N 0 0 304.393 0.126 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CN3C(=O)CC(C)(C)C3=O)CCO2)c1 ZINC000112071442 670538880 /nfs/dbraw/zinc/53/88/80/670538880.db2.gz TYTHAKAWMAXARC-ZDUSSCGKSA-N 0 0 320.393 0.635 10 0 DCAERN Cc1ccc(CNC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000009908561 670668149 /nfs/dbraw/zinc/66/81/49/670668149.db2.gz DKHSYRPLOWPUOR-UHFFFAOYSA-N 0 0 318.373 0.977 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)ccc1F ZINC000113196889 670691888 /nfs/dbraw/zinc/69/18/88/670691888.db2.gz QAEWVAGABGNVME-SECBINFHSA-N 0 0 302.327 0.382 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nn1cnc3ccccc31)c2=O ZINC000010136107 670692370 /nfs/dbraw/zinc/69/23/70/670692370.db2.gz WOLWIKBLNJWQGS-UHFFFAOYSA-N 0 0 323.316 0.250 10 0 DCAERN C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccnc1 ZINC000113472957 670731254 /nfs/dbraw/zinc/73/12/54/670731254.db2.gz NGULXGXPFLUPIO-SNVBAGLBSA-N 0 0 313.317 0.829 10 0 DCAERN CN1CCN(S(=O)(=O)c2cccc3ncccc32)CC1=O ZINC000121524797 672055328 /nfs/dbraw/zinc/05/53/28/672055328.db2.gz UFJZMXWYOJGYBC-UHFFFAOYSA-N 0 0 305.359 0.698 10 0 DCAERN COC(=O)NCCNC(=O)c1cccnc1Br ZINC000308504523 1158183504 /nfs/dbraw/zinc/18/35/04/1158183504.db2.gz YOBPPABLDKBQSJ-UHFFFAOYSA-N 0 0 302.128 0.930 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@](C)(O)c1ccccc1 ZINC000175380810 1158385591 /nfs/dbraw/zinc/38/55/91/1158385591.db2.gz SJTJMBXFAGRELP-AWEZNQCLSA-N 0 0 314.407 0.292 10 0 DCAERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)S(N)(=O)=O ZINC000398266594 685274673 /nfs/dbraw/zinc/27/46/73/685274673.db2.gz DXJYCEVBEZCKQD-ZCFIWIBFSA-N 0 0 305.287 0.141 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@H](O)[C@H](CO)C1)C1CC1 ZINC000718004655 685304667 /nfs/dbraw/zinc/30/46/67/685304667.db2.gz JJZSHBIPAAXTMK-AAEUAGOBSA-N 0 0 305.440 0.818 10 0 DCAERN C[C@H]1CO[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000718557873 685305463 /nfs/dbraw/zinc/30/54/63/685305463.db2.gz HRYLCHJSGYXFEF-APPZFPTMSA-N 0 0 304.393 0.437 10 0 DCAERN O=C(NCc1n[nH]cc1Br)[C@H]1CSC(=O)N1 ZINC000718828457 685305589 /nfs/dbraw/zinc/30/55/89/685305589.db2.gz BOCBRLITQPTCFO-ZCFIWIBFSA-N 0 0 305.157 0.613 10 0 DCAERN O=S(=O)(c1ccns1)N1CCC(C2OCCO2)CC1 ZINC000719022380 685307769 /nfs/dbraw/zinc/30/77/69/685307769.db2.gz QDFOKTDCVLIIPY-UHFFFAOYSA-N 0 0 304.393 0.917 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000089371885 685093807 /nfs/dbraw/zinc/09/38/07/685093807.db2.gz SMRJEOUANVBRJN-LBPRGKRZSA-N 0 0 318.439 0.527 10 0 DCAERN CN1CC[C@H](NC(=O)c2cccc(CN3CCCC3=O)c2)C1=O ZINC000152517816 685133079 /nfs/dbraw/zinc/13/30/79/685133079.db2.gz WPQQQGCTSLRSNY-AWEZNQCLSA-N 0 0 315.373 0.770 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC000154081130 685134848 /nfs/dbraw/zinc/13/48/48/685134848.db2.gz NFFZHPCKOGWCGO-UHFFFAOYSA-N 0 0 319.409 0.872 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1=O ZINC000190595393 685154122 /nfs/dbraw/zinc/15/41/22/685154122.db2.gz ROKAFAGIAGLFCI-ZDUSSCGKSA-N 0 0 305.309 0.967 10 0 DCAERN Cn1ncc2c1nnn(CN1CCO[C@H]3CCCC[C@H]31)c2=O ZINC000246140007 685161177 /nfs/dbraw/zinc/16/11/77/685161177.db2.gz BUGDDSPSVRPJND-NEPJUHHUSA-N 0 0 304.354 0.126 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCN1CCO ZINC000249517405 685181433 /nfs/dbraw/zinc/18/14/33/685181433.db2.gz SBTQWNQJLDMWKP-CZUORRHYSA-N 0 0 317.389 0.705 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000249806321 685184034 /nfs/dbraw/zinc/18/40/34/685184034.db2.gz BIUWVRZKVHINPV-GXTWGEPZSA-N 0 0 322.409 0.880 10 0 DCAERN CC[C@@H]1CCC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000251841051 685185614 /nfs/dbraw/zinc/18/56/14/685185614.db2.gz QUIPYKQVCDNRIE-AGIUHOORSA-N 0 0 302.440 0.848 10 0 DCAERN CC(=O)N1CCCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)CC1 ZINC000281168696 685198216 /nfs/dbraw/zinc/19/82/16/685198216.db2.gz HPNUJWVLNYXEBX-CYBMUJFWSA-N 0 0 304.394 0.606 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@H]1CCN(C)C1=O)[C@H]2C ZINC000364747435 685222537 /nfs/dbraw/zinc/22/25/37/685222537.db2.gz AURSZBZVVLWFPM-QWRGUYRKSA-N 0 0 320.397 0.718 10 0 DCAERN C[C@@H](O)[C@@H](CO)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000387533512 685252700 /nfs/dbraw/zinc/25/27/00/685252700.db2.gz KNMIJJYJJDBLRL-SVGQVSJJSA-N 0 0 323.574 0.969 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)c1c(Br)nnn1C ZINC000385645616 1158236174 /nfs/dbraw/zinc/23/61/74/1158236174.db2.gz 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/nfs/dbraw/zinc/65/45/46/1171654546.db2.gz YLDAOWJCXQQPRT-JTQLQIEISA-N 0 0 307.350 0.525 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1cc(Cl)ccc1N ZINC000061876331 1172265540 /nfs/dbraw/zinc/26/55/40/1172265540.db2.gz KUFVUIBJVIBKAC-UHFFFAOYSA-N 0 0 314.725 0.710 10 0 DCAERN Cc1nc(CSCC(=O)N[C@@H]2CCC(=O)NC2=O)cs1 ZINC000089754832 1175344641 /nfs/dbraw/zinc/34/46/41/1175344641.db2.gz MJBCNCIFDMZDEK-SECBINFHSA-N 0 0 313.404 0.606 10 0 DCAERN Cc1nn(C)c(C)c1OS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000092254747 1175577167 /nfs/dbraw/zinc/57/71/67/1175577167.db2.gz VOKAVGAFFLRQMF-UHFFFAOYSA-N 0 0 309.347 0.904 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC000153426237 1180548719 /nfs/dbraw/zinc/54/87/19/1180548719.db2.gz YVXQMOALKLRZJJ-SECBINFHSA-N 0 0 321.381 0.676 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2ccccc2Cl)n1 ZINC000158881888 1180565233 /nfs/dbraw/zinc/56/52/33/1180565233.db2.gz LMQJYGQXESAPAG-UHFFFAOYSA-N 0 0 309.713 0.835 10 0 DCAERN O=C(CN1CCOC1=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000238821218 1182423881 /nfs/dbraw/zinc/42/38/81/1182423881.db2.gz CRQSIZZAAPTVSP-HAQNSBGRSA-N 0 0 320.349 0.735 10 0 DCAERN COc1ccc(N2C[C@H](C(=O)NCC(OC)OC)CC2=O)cc1 ZINC000170554579 1183668337 /nfs/dbraw/zinc/66/83/37/1183668337.db2.gz IJOLHNBUOGHUGZ-LLVKDONJSA-N 0 0 322.361 0.783 10 0 DCAERN CC(C)NC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000171002186 1183704285 /nfs/dbraw/zinc/70/42/85/1183704285.db2.gz ZAOYEDCQUJMKEP-OAHLLOKOSA-N 0 0 304.350 0.949 10 0 DCAERN CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C)CS(C)(=O)=O ZINC000171999659 1183796971 /nfs/dbraw/zinc/79/69/71/1183796971.db2.gz DQMAXURXVRTIOR-NSHDSACASA-N 0 0 324.406 0.713 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)n(C)n1 ZINC000172568146 1183861049 /nfs/dbraw/zinc/86/10/49/1183861049.db2.gz ROFUHHGJJYUHQU-BVUQATHDSA-N 0 0 320.393 0.540 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000175231002 1184063648 /nfs/dbraw/zinc/06/36/48/1184063648.db2.gz WNZNMIODILPIRW-GFCCVEGCSA-N 0 0 318.370 0.257 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)NCCNS(C)(=O)=O)cc1 ZINC000175885285 1184118961 /nfs/dbraw/zinc/11/89/61/1184118961.db2.gz JHAYBUPDVJEKFC-ZHACJKMWSA-N 0 0 312.391 0.764 10 0 DCAERN Cc1nnc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000180077527 1185169622 /nfs/dbraw/zinc/16/96/22/1185169622.db2.gz BIODFNOSPQXGHB-SECBINFHSA-N 0 0 309.395 0.622 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307895111 1190384506 /nfs/dbraw/zinc/38/45/06/1190384506.db2.gz OQRVHIIPRPSHOP-LBPRGKRZSA-N 0 0 300.380 0.419 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NC[C@]1(O)CCOC1 ZINC000227183959 747412398 /nfs/dbraw/zinc/41/23/98/747412398.db2.gz SHUSDUQCOVUJST-GFCCVEGCSA-N 0 0 315.167 0.913 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2cc(F)c(F)cc2N)CCO1 ZINC000132875440 769682057 /nfs/dbraw/zinc/68/20/57/769682057.db2.gz HGFCPTZFMHHICQ-LLVKDONJSA-N 0 0 300.261 0.561 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000402609448 774089237 /nfs/dbraw/zinc/08/92/37/774089237.db2.gz WFZSFFYPNKVHOQ-GFCCVEGCSA-N 0 0 304.343 0.383 10 0 DCAERN CCC[N@H+](CC)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689200781 968889711 /nfs/dbraw/zinc/88/97/11/968889711.db2.gz QFKWYZUZJPBXME-NSHDSACASA-N 0 0 307.416 0.102 10 0 DCAERN CN(CCC[NH2+]Cc1ccc(C(=O)[O-])cn1)S(C)(=O)=O ZINC000692501975 976514861 /nfs/dbraw/zinc/51/48/61/976514861.db2.gz RJAMJQQKYHMHQT-UHFFFAOYSA-N 0 0 301.368 0.151 10 0 DCAERN O=C([O-])CCC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000695239331 976788669 /nfs/dbraw/zinc/78/86/69/976788669.db2.gz XVXQPLAHFZFSFW-UHFFFAOYSA-N 0 0 304.412 0.599 10 0 DCAERN C[C@H](C[NH2+]CCOc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000697554308 976848183 /nfs/dbraw/zinc/84/81/83/976848183.db2.gz OLYGLTONYURDLC-SNVBAGLBSA-N 0 0 301.364 0.786 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC000081816190 192328327 /nfs/dbraw/zinc/32/83/27/192328327.db2.gz ZUVKZDVZEAXQGR-RYUDHWBXSA-N 0 0 306.428 0.588 10 0 DCAERN Cn1cnc2cc(C(=O)NCC3(CO)CCOCC3)cnc21 ZINC000181244351 199270703 /nfs/dbraw/zinc/27/07/03/199270703.db2.gz UBILHCYWISLECL-UHFFFAOYSA-N 0 0 304.350 0.487 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCOCC3(CC3)C2)C[C@H](C)O1 ZINC000329459601 300282803 /nfs/dbraw/zinc/28/28/03/300282803.db2.gz OXNSAXYKTVXBDF-RYUDHWBXSA-N 0 0 304.412 0.453 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1 ZINC000088715340 185262892 /nfs/dbraw/zinc/26/28/92/185262892.db2.gz GTNPJIUWUUDONE-UHFFFAOYSA-N 0 0 312.391 0.776 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1nc(Cl)ccc1Cl ZINC000090014812 185278005 /nfs/dbraw/zinc/27/80/05/185278005.db2.gz CNTJFGDRXMULEM-ZCFIWIBFSA-N 0 0 302.117 0.923 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NC[C@]2(O)CCSC2)s1 ZINC000081999387 192352921 /nfs/dbraw/zinc/35/29/21/192352921.db2.gz QYSHYCQTITWUGI-CYBMUJFWSA-N 0 0 314.432 0.982 10 0 DCAERN Cc1cc(-c2noc(CN3CCOC[C@H]3C(N)=O)n2)ccc1F ZINC000092421358 185317136 /nfs/dbraw/zinc/31/71/36/185317136.db2.gz NTXPMWJHJJKLMJ-LBPRGKRZSA-N 0 0 320.324 0.870 10 0 DCAERN CSCCN(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181374975 199286883 /nfs/dbraw/zinc/28/68/83/199286883.db2.gz ORBUMHMMYZUJPO-UHFFFAOYSA-N 0 0 319.452 0.710 10 0 DCAERN O=S(=O)(c1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000181408417 199292132 /nfs/dbraw/zinc/29/21/32/199292132.db2.gz FILJODVSXPZEID-PSASIEDQSA-N 0 0 310.780 0.272 10 0 DCAERN Cc1cc(C)cc(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000181441386 199298209 /nfs/dbraw/zinc/29/82/09/199298209.db2.gz AOBBQHHTFGLOBF-STQMWFEESA-N 0 0 318.416 0.376 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187115426 529750906 /nfs/dbraw/zinc/75/09/06/529750906.db2.gz GSOAVAUXGKYUNA-MNOVXSKESA-N 0 0 320.397 0.027 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000286641595 219099202 /nfs/dbraw/zinc/09/92/02/219099202.db2.gz DULREUMYMYPWJC-CJNGLKHVSA-N 0 0 304.346 0.610 10 0 DCAERN O=C(NCCCc1ccccn1)NCCNC(=O)c1ccn[nH]1 ZINC000181664729 199334971 /nfs/dbraw/zinc/33/49/71/199334971.db2.gz VBJSSNVLKXATCI-UHFFFAOYSA-N 0 0 316.365 0.467 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799491 529852496 /nfs/dbraw/zinc/85/24/96/529852496.db2.gz SSJBFFYXIHRKCQ-WHWKNOJMSA-N 0 0 303.406 0.818 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@H](C)c1nnc2ccccn21)C(C)C ZINC000178396690 529897617 /nfs/dbraw/zinc/89/76/17/529897617.db2.gz XRLCGOKEKVSFJY-PWSUYJOCSA-N 0 0 318.381 0.860 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)C(C)C ZINC000189062693 529919223 /nfs/dbraw/zinc/91/92/23/529919223.db2.gz GMOCEPQNFLRODD-CYBMUJFWSA-N 0 0 324.425 0.411 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000188990592 530015596 /nfs/dbraw/zinc/01/55/96/530015596.db2.gz LNUZPKBPXVAECA-UHFFFAOYSA-N 0 0 300.355 0.523 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000155149821 530034199 /nfs/dbraw/zinc/03/41/99/530034199.db2.gz WIIBORXVDDVRNZ-PHIMTYICSA-N 0 0 312.391 0.844 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000181690078 199339623 /nfs/dbraw/zinc/33/96/23/199339623.db2.gz WUMCVOGTAFSHKM-PSASIEDQSA-N 0 0 308.304 0.980 10 0 DCAERN CCn1c(C)nnc1S(=O)(=O)CC(=O)NC(C)(C)CC ZINC000108597713 185522985 /nfs/dbraw/zinc/52/29/85/185522985.db2.gz RBAWCZBLSFEXCD-UHFFFAOYSA-N 0 0 302.400 0.685 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)[C@H](C)CO ZINC000181816984 199357157 /nfs/dbraw/zinc/35/71/57/199357157.db2.gz LLMMVGCRWOUFGV-YRGRVCCFSA-N 0 0 320.393 0.893 10 0 DCAERN COC[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)[C@@H]1CCCO1 ZINC000279794172 215153844 /nfs/dbraw/zinc/15/38/44/215153844.db2.gz VXDRUHBQYAIZCB-RDBSUJKOSA-N 0 0 322.409 0.939 10 0 DCAERN Cn1ccnc1[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000279885525 215206933 /nfs/dbraw/zinc/20/69/33/215206933.db2.gz CRQVJMMEGCTOPR-UONOGXRCSA-N 0 0 321.425 0.004 10 0 DCAERN CCCC(=O)NCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000141933846 186030974 /nfs/dbraw/zinc/03/09/74/186030974.db2.gz VEHCMFYXWQDQJV-AWEZNQCLSA-N 0 0 317.389 0.993 10 0 DCAERN CCC1(CC)CN(C(=O)C(=O)c2cnn(C)c2)CC[S@@]1=O ZINC000183878355 186226430 /nfs/dbraw/zinc/22/64/30/186226430.db2.gz LLZFVCKPOLWNFD-NRFANRHFSA-N 0 0 311.407 0.753 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCOC3)ccc2c1=O ZINC000171680908 197966131 /nfs/dbraw/zinc/96/61/31/197966131.db2.gz YLFMCHMVCCCBKJ-LLVKDONJSA-N 0 0 317.345 0.619 10 0 DCAERN C[C@]1(C(N)=O)CN(S(=O)(=O)c2cccc(F)c2)CCO1 ZINC000072379558 191140432 /nfs/dbraw/zinc/14/04/32/191140432.db2.gz JLXPEXATTGOTED-GFCCVEGCSA-N 0 0 302.327 0.091 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000172316225 198078564 /nfs/dbraw/zinc/07/85/64/198078564.db2.gz SYGFTCYIKAMYNA-YPMHNXCESA-N 0 0 310.375 0.140 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)CNC(=O)c1ccccn1 ZINC000172548068 198112988 /nfs/dbraw/zinc/11/29/88/198112988.db2.gz VXPFEZNMJDGTCW-NRFANRHFSA-N 0 0 311.407 0.475 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)N2CCCSCC2)c(=O)c1 ZINC000280112736 215385549 /nfs/dbraw/zinc/38/55/49/215385549.db2.gz KMBGOWSQTCWSTI-OAHLLOKOSA-N 0 0 310.419 0.873 10 0 DCAERN CCCSc1nc2nnc3c(CC(=O)OC)nn(C)c3n2n1 ZINC000072462366 191172400 /nfs/dbraw/zinc/17/24/00/191172400.db2.gz BWOGGIGEAWXKHZ-UHFFFAOYSA-N 0 0 321.366 0.624 10 0 DCAERN CN(CCS(C)(=O)=O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777811 198148975 /nfs/dbraw/zinc/14/89/75/198148975.db2.gz QDOXDOURXKOEGB-CYBMUJFWSA-N 0 0 312.391 0.988 10 0 DCAERN CCn1c(=O)[nH]nc1S[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000172908142 198166161 /nfs/dbraw/zinc/16/61/61/198166161.db2.gz ADTJQBYBVXUUPE-VIFPVBQESA-N 0 0 322.394 0.531 10 0 DCAERN COC(=O)CNC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000172933335 198168774 /nfs/dbraw/zinc/16/87/74/198168774.db2.gz QJNFRMPMDHZRHS-UHFFFAOYSA-N 0 0 304.346 0.828 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172945803 198169892 /nfs/dbraw/zinc/16/98/92/198169892.db2.gz WQYZMJTUDPRICH-STQMWFEESA-N 0 0 304.346 0.814 10 0 DCAERN COCc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000173407400 198211993 /nfs/dbraw/zinc/21/19/93/198211993.db2.gz LUHLWBZSSLSAKL-FZMZJTMJSA-N 0 0 309.366 0.614 10 0 DCAERN CCN(CCO)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173426564 198212987 /nfs/dbraw/zinc/21/29/87/198212987.db2.gz OHERPAQWVCXXND-GFCCVEGCSA-N 0 0 322.413 0.511 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000173399921 198211264 /nfs/dbraw/zinc/21/12/64/198211264.db2.gz KQJAWTZGCCQGNQ-OAHLLOKOSA-N 0 0 319.409 0.627 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000173570519 198229262 /nfs/dbraw/zinc/22/92/62/198229262.db2.gz ZTHGOBHCZUAYPG-LBPRGKRZSA-N 0 0 318.381 0.850 10 0 DCAERN CC(C)OCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000173558230 198227122 /nfs/dbraw/zinc/22/71/22/198227122.db2.gz XHMOQUIZBMPQBQ-UHFFFAOYSA-N 0 0 322.409 0.960 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)cn1 ZINC000173786849 198252590 /nfs/dbraw/zinc/25/25/90/198252590.db2.gz CRLRHGLVNJTWPG-SNVBAGLBSA-N 0 0 314.411 0.064 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000182073048 199383826 /nfs/dbraw/zinc/38/38/26/199383826.db2.gz GAOFMYSEZYLFQC-NSHDSACASA-N 0 0 309.341 0.205 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000174588580 198355649 /nfs/dbraw/zinc/35/56/49/198355649.db2.gz VIJKVRQADPEQBR-RYUDHWBXSA-N 0 0 314.407 0.646 10 0 DCAERN O=C([C@H](O)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000174792588 198386417 /nfs/dbraw/zinc/38/64/17/198386417.db2.gz IFMHEUKTKIQUGS-LSDHHAIUSA-N 0 0 301.346 0.844 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCCN(c2cccnn2)CC1 ZINC000174741898 198378688 /nfs/dbraw/zinc/37/86/88/198378688.db2.gz RDMMVWMJGAIQBY-UHFFFAOYSA-N 0 0 312.439 0.812 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)CN3CC(=O)NC3=O)nc2c1 ZINC000174888617 198398180 /nfs/dbraw/zinc/39/81/80/198398180.db2.gz IEBYSCZAPFJUKD-UHFFFAOYSA-N 0 0 301.306 0.039 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936583 283027895 /nfs/dbraw/zinc/02/78/95/283027895.db2.gz FLKBRMANVVIJRD-OLZOCXBDSA-N 0 0 304.346 0.960 10 0 DCAERN O=C(c1ccccc1)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000075027031 191409582 /nfs/dbraw/zinc/40/95/82/191409582.db2.gz JCSSZOPNFBZLNQ-UHFFFAOYSA-N 0 0 314.345 0.237 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000080687750 192182557 /nfs/dbraw/zinc/18/25/57/192182557.db2.gz APKKDUOIAAQJDU-UHFFFAOYSA-N 0 0 314.411 0.353 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)[nH]n1 ZINC000080898271 192199715 /nfs/dbraw/zinc/19/97/15/192199715.db2.gz JYNTXIAYBICWRV-HNNXBMFYSA-N 0 0 310.398 0.346 10 0 DCAERN O=C(NCCNC(=O)c1ccco1)N[C@@H]1CCCC[C@@H]1CO ZINC000081475681 192272700 /nfs/dbraw/zinc/27/27/00/192272700.db2.gz JPSHHSAIIOYZSD-VXGBXAGGSA-N 0 0 309.366 0.860 10 0 DCAERN C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177671771 198758941 /nfs/dbraw/zinc/75/89/41/198758941.db2.gz SWJLDTPMBSCPCH-MWLCHTKSSA-N 0 0 312.347 0.566 10 0 DCAERN CSCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184492333 199723241 /nfs/dbraw/zinc/72/32/41/199723241.db2.gz XPIOKDSGXZMNKI-CQSZACIVSA-N 0 0 322.430 0.936 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1-n1cnnn1 ZINC000081588608 192298168 /nfs/dbraw/zinc/29/81/68/192298168.db2.gz AOYSPVYYKYIYHQ-GFCCVEGCSA-N 0 0 324.348 0.827 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1=O ZINC000081589047 192298758 /nfs/dbraw/zinc/29/87/58/192298758.db2.gz HQUDYHASXWHJQM-VXGBXAGGSA-N 0 0 321.381 0.033 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCNC(=O)C1(C)C ZINC000117920611 283193023 /nfs/dbraw/zinc/19/30/23/283193023.db2.gz ZEVMGEJQKQLQKJ-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)C1CC1 ZINC000087054644 192617598 /nfs/dbraw/zinc/61/75/98/192617598.db2.gz JUHQZMQXLYWTMM-LLVKDONJSA-N 0 0 320.397 0.501 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000178417901 198863525 /nfs/dbraw/zinc/86/35/25/198863525.db2.gz YTMMRSNZFHHSGB-OAHLLOKOSA-N 0 0 320.393 0.561 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000179273467 290560618 /nfs/dbraw/zinc/56/06/18/290560618.db2.gz XPYPZTXFGFDDDD-XQQFMLRXSA-N 0 0 312.414 0.016 10 0 DCAERN COc1cccc(C(=O)NCCC(=O)N2CCN(C)CC2)c1F ZINC000179260874 199006348 /nfs/dbraw/zinc/00/63/48/199006348.db2.gz JSVWSWXWSLBNKP-UHFFFAOYSA-N 0 0 323.368 0.728 10 0 DCAERN Cc1cc(F)ccc1-n1cc(C(=O)NC(C)(C)C(N)=O)nn1 ZINC000179364606 199021545 /nfs/dbraw/zinc/02/15/45/199021545.db2.gz XHJOVFUNLRVWBE-UHFFFAOYSA-N 0 0 305.313 0.709 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H](O)CC(C)(C)C)cn1 ZINC000179453827 199037876 /nfs/dbraw/zinc/03/78/76/199037876.db2.gz VYGZHWSGVMQDBO-LLVKDONJSA-N 0 0 311.386 0.548 10 0 DCAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Cn2ncn(C)c2=O)no1 ZINC000179523633 199049885 /nfs/dbraw/zinc/04/98/85/199049885.db2.gz PHMKPOPMQHRTNM-JTQLQIEISA-N 0 0 320.353 0.452 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cn(C)cn2)ncn1 ZINC000179612596 199064381 /nfs/dbraw/zinc/06/43/81/199064381.db2.gz YEFNDXBVXOSWQH-NSHDSACASA-N 0 0 315.381 0.651 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1)C(N)=O ZINC000179765158 199077871 /nfs/dbraw/zinc/07/78/71/199077871.db2.gz FDFKEAKTKNKPRK-MRVPVSSYSA-N 0 0 318.337 0.798 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000179766553 199078116 /nfs/dbraw/zinc/07/81/16/199078116.db2.gz RYHGZAAJVBASOE-RYUDHWBXSA-N 0 0 321.377 0.300 10 0 DCAERN COCCOc1cc(C(=O)NCCc2nc(C)no2)ccn1 ZINC000180063199 199112803 /nfs/dbraw/zinc/11/28/03/199112803.db2.gz ISZMHPFHYOZMSO-UHFFFAOYSA-N 0 0 306.322 0.771 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@H]1N1CCOCC1 ZINC000180255419 199137303 /nfs/dbraw/zinc/13/73/03/199137303.db2.gz WOIHLYWNEMMRII-GXTWGEPZSA-N 0 0 318.377 0.199 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1F ZINC000180406500 199155803 /nfs/dbraw/zinc/15/58/03/199155803.db2.gz VEQMDYFSEWXBOI-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC000180855765 199218841 /nfs/dbraw/zinc/21/88/41/199218841.db2.gz KLRHQARDCDWEJV-SNVBAGLBSA-N 0 0 317.436 0.914 10 0 DCAERN COCCCOCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180908342 199226511 /nfs/dbraw/zinc/22/65/11/199226511.db2.gz CFPIOVRFXDBXFT-CQSZACIVSA-N 0 0 322.409 0.957 10 0 DCAERN Cn1cnn(CC(=O)NCCCCOCc2ccccc2)c1=O ZINC000181184726 199262093 /nfs/dbraw/zinc/26/20/93/199262093.db2.gz AQKYSZHWZGKBAI-UHFFFAOYSA-N 0 0 318.377 0.695 10 0 DCAERN CSC[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181209166 199265081 /nfs/dbraw/zinc/26/50/81/199265081.db2.gz WGXXKFVGYWMKFT-VIFPVBQESA-N 0 0 319.452 0.757 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000181175711 199259935 /nfs/dbraw/zinc/25/99/35/199259935.db2.gz BXDIVZLVMVNWAU-SECBINFHSA-N 0 0 313.789 0.836 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000151086837 236995473 /nfs/dbraw/zinc/99/54/73/236995473.db2.gz XOYNVXQEXWRFKV-STQMWFEESA-N 0 0 318.439 0.325 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155540241 237042638 /nfs/dbraw/zinc/04/26/38/237042638.db2.gz ROVLQNULUKBNDJ-FRRDWIJNSA-N 0 0 302.440 0.895 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncnc3c2CCCCC3)C1 ZINC000163228242 237112107 /nfs/dbraw/zinc/11/21/07/237112107.db2.gz ZKMCDYNECDGMAQ-LLVKDONJSA-N 0 0 310.423 0.873 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000172752873 237152767 /nfs/dbraw/zinc/15/27/67/237152767.db2.gz GBPXGGBKYVDZFM-SNVBAGLBSA-N 0 0 323.780 0.886 10 0 DCAERN C[C@]1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000175440065 237186715 /nfs/dbraw/zinc/18/67/15/237186715.db2.gz FIZXTUFTSDWCJL-HNNXBMFYSA-N 0 0 306.366 0.907 10 0 DCAERN NC(=O)C1(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000119541442 545740504 /nfs/dbraw/zinc/74/05/04/545740504.db2.gz DDLFQPUWOFNEPV-UHFFFAOYSA-N 0 0 321.402 0.491 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000179231119 237250102 /nfs/dbraw/zinc/25/01/02/237250102.db2.gz KZESPVJMRPTITN-NSHDSACASA-N 0 0 304.412 0.153 10 0 DCAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)C1CCCC1 ZINC000186692720 237323027 /nfs/dbraw/zinc/32/30/27/237323027.db2.gz RJMDXAILOUGYIN-JTQLQIEISA-N 0 0 303.428 0.756 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)CNC(=O)c2ccccn2)n1 ZINC000187508670 237350856 /nfs/dbraw/zinc/35/08/56/237350856.db2.gz GTLABXSGICFSGD-LLVKDONJSA-N 0 0 317.349 0.854 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)NCCN1CCOCC1 ZINC000187820808 237361773 /nfs/dbraw/zinc/36/17/73/237361773.db2.gz WHOZBINPZZKYRV-GFCCVEGCSA-N 0 0 308.382 0.783 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2ccn(-c3ccccc3F)n2)n1 ZINC000188201181 237366568 /nfs/dbraw/zinc/36/65/68/237366568.db2.gz CAHHOAPQDPMSNC-UHFFFAOYSA-N 0 0 313.292 0.715 10 0 DCAERN CO[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CC[C@@H]1C ZINC000189309691 237394743 /nfs/dbraw/zinc/39/47/43/237394743.db2.gz XYHUTFYZKJSOKH-AAEUAGOBSA-N 0 0 316.427 0.055 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000189272726 237397014 /nfs/dbraw/zinc/39/70/14/237397014.db2.gz MHSYJCVARUFPIQ-MNOVXSKESA-N 0 0 313.398 0.890 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193228666 237477528 /nfs/dbraw/zinc/47/75/28/237477528.db2.gz IFQJMJRBYXCFBN-HNNXBMFYSA-N 0 0 303.318 0.374 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)[C@@H]1C(N)=O ZINC000298618091 291201955 /nfs/dbraw/zinc/20/19/55/291201955.db2.gz OXLWXPYNJSCOQY-XXSPCDMZSA-N 0 0 320.345 0.316 10 0 DCAERN CC[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615804 291207570 /nfs/dbraw/zinc/20/75/70/291207570.db2.gz ZXNGITGJJWUDHA-OLZOCXBDSA-N 0 0 319.396 0.943 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153874666 291209173 /nfs/dbraw/zinc/20/91/73/291209173.db2.gz GWTAVIGDYIPYPT-NSHDSACASA-N 0 0 322.390 0.879 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)c2nnc3ccccn32)c(=O)[nH]c1C ZINC000154064429 291210312 /nfs/dbraw/zinc/21/03/12/291210312.db2.gz LFMOUACACUGOQU-SNVBAGLBSA-N 0 0 312.333 0.920 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2(C)CCC2)n1 ZINC000154727766 291215186 /nfs/dbraw/zinc/21/51/86/291215186.db2.gz WLIXVIQQGJKBRZ-UHFFFAOYSA-N 0 0 307.398 0.690 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)Nc1cnc(N(C)C)nc1 ZINC000154714224 291215214 /nfs/dbraw/zinc/21/52/14/291215214.db2.gz GAJILMKJFPJOLO-JTQLQIEISA-N 0 0 308.386 0.969 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000156447847 291225006 /nfs/dbraw/zinc/22/50/06/291225006.db2.gz SBKGYYYGYPJLEC-KOLCDFICSA-N 0 0 317.349 0.109 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCc2ccccc2F)cn1 ZINC000162891413 291245108 /nfs/dbraw/zinc/24/51/08/291245108.db2.gz WVXYCWDBQYXOGY-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162812398 291245416 /nfs/dbraw/zinc/24/54/16/291245416.db2.gz MKOBFSGIQRUEOW-DOMZBBRYSA-N 0 0 320.389 0.929 10 0 DCAERN CNC(=O)Cc1noc(-c2ccc(-n3cnnn3)cc2Cl)n1 ZINC000162988970 291245897 /nfs/dbraw/zinc/24/58/97/291245897.db2.gz AKINMLLLTUVBGC-UHFFFAOYSA-N 0 0 319.712 0.654 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000168841871 291248992 /nfs/dbraw/zinc/24/89/92/291248992.db2.gz PJEVOQUOPCNVPQ-MNOVXSKESA-N 0 0 305.396 0.658 10 0 DCAERN Cn1nccc1NC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000328630349 291259422 /nfs/dbraw/zinc/25/94/22/291259422.db2.gz JHFWVQSTNMBSQT-ZDUSSCGKSA-N 0 0 307.398 0.995 10 0 DCAERN C[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281494592 216341493 /nfs/dbraw/zinc/34/14/93/216341493.db2.gz JWLBCPBCSWAWEB-OLZOCXBDSA-N 0 0 319.409 0.943 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccccc3O)CC2)CCC(=O)NC1 ZINC000281522366 216359760 /nfs/dbraw/zinc/35/97/60/216359760.db2.gz LQHRASSGADYPMH-QGZVFWFLSA-N 0 0 317.389 0.957 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000408396870 239268229 /nfs/dbraw/zinc/26/82/29/239268229.db2.gz RGVIOGDZFQSDPO-HNNXBMFYSA-N 0 0 302.334 0.529 10 0 DCAERN COC(=O)[C@@H]1CCCCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366147027 291328458 /nfs/dbraw/zinc/32/84/58/291328458.db2.gz LLIBURWPCNNNAH-KGLIPLIRSA-N 0 0 310.394 0.794 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408032259 291344054 /nfs/dbraw/zinc/34/40/54/291344054.db2.gz UIRSHBOZDJZYBR-NNYUYHANSA-N 0 0 323.386 0.453 10 0 DCAERN CN(CCCO)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000443005425 240553847 /nfs/dbraw/zinc/55/38/47/240553847.db2.gz ZUAFHOLJYXYTOL-UHFFFAOYSA-N 0 0 323.374 0.337 10 0 DCAERN Cn1ncc(NC(=O)CN2CCOCC2=O)c1C(F)(F)F ZINC000567335766 291349264 /nfs/dbraw/zinc/34/92/64/291349264.db2.gz APGIPOCBTJWTAY-UHFFFAOYSA-N 0 0 306.244 0.236 10 0 DCAERN CC[C@@H](C)NC(=O)CS(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453030249 240755803 /nfs/dbraw/zinc/75/58/03/240755803.db2.gz FTNWATPZGPNVBE-SSDOTTSWSA-N 0 0 320.392 0.618 10 0 DCAERN Cc1ccc(OCCC(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000091782240 193107216 /nfs/dbraw/zinc/10/72/16/193107216.db2.gz IETDRDAIGXNQIR-CYBMUJFWSA-N 0 0 306.362 0.785 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1occc1Br ZINC000091785196 193107461 /nfs/dbraw/zinc/10/74/61/193107461.db2.gz ZFWBMUFENLEUPU-ZETCQYMHSA-N 0 0 303.112 0.368 10 0 DCAERN C[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783712 193107692 /nfs/dbraw/zinc/10/76/92/193107692.db2.gz YIQQFPXQUXMJEZ-OCCSQVGLSA-N 0 0 306.362 0.804 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@H]1C(N)=O ZINC000091785166 193107842 /nfs/dbraw/zinc/10/78/42/193107842.db2.gz JQNZFAAGTYWIBL-NSHDSACASA-N 0 0 312.753 0.740 10 0 DCAERN COCCN1CCN(Cc2noc(C3CCOCC3)n2)CC1=O ZINC000091813255 193111538 /nfs/dbraw/zinc/11/15/38/193111538.db2.gz RGMAMBZJXOGGCV-UHFFFAOYSA-N 0 0 324.381 0.254 10 0 DCAERN COCCN1CCN(CC(=O)Nc2cccc(C)c2)CC1=O ZINC000091833996 193115560 /nfs/dbraw/zinc/11/55/60/193115560.db2.gz UCCIQRSWXURHCA-UHFFFAOYSA-N 0 0 305.378 0.724 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC(C)(C)O)c1 ZINC000456081059 240875248 /nfs/dbraw/zinc/87/52/48/240875248.db2.gz KWELORMNAGQMKE-JTQLQIEISA-N 0 0 314.407 0.874 10 0 DCAERN CCN(C(=O)c1cc(C)cc(C(=O)OC)c1)[C@H]1CC(=O)NC1=O ZINC000457513690 241010768 /nfs/dbraw/zinc/01/07/68/241010768.db2.gz UILBMKMJBNINAJ-LBPRGKRZSA-N 0 0 318.329 0.659 10 0 DCAERN Cc1ccccc1OCCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457919272 241049385 /nfs/dbraw/zinc/04/93/85/241049385.db2.gz HYNSRMAVJCBUGU-CYBMUJFWSA-N 0 0 319.365 0.326 10 0 DCAERN COC(=O)[C@@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248369494 284012642 /nfs/dbraw/zinc/01/26/42/284012642.db2.gz WIIWWJDTRPQUNC-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN Cc1sc(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(C)c1C ZINC000092230422 193177510 /nfs/dbraw/zinc/17/75/10/193177510.db2.gz SHQAOOWULRJSHD-LLVKDONJSA-N 0 0 311.407 0.798 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H]1C ZINC000408296745 284033798 /nfs/dbraw/zinc/03/37/98/284033798.db2.gz CNIVXWKZJULDIV-OWXSUUJWSA-N 0 0 302.396 0.348 10 0 DCAERN Cc1c(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)cnn1C ZINC000568847171 291448786 /nfs/dbraw/zinc/44/87/86/291448786.db2.gz NSMMMULRAKSVKA-RYUDHWBXSA-N 0 0 311.407 0.918 10 0 DCAERN CN(Cc1cnccn1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000568950110 291454181 /nfs/dbraw/zinc/45/41/81/291454181.db2.gz VSJVEJMOGDGFBA-UHFFFAOYSA-N 0 0 305.382 0.483 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530787 193264663 /nfs/dbraw/zinc/26/46/63/193264663.db2.gz NLXSWTYMYWJVMY-VIFPVBQESA-N 0 0 320.846 0.759 10 0 DCAERN O=c1cc(CSC[C@@H](O)CO)nc2ccc(Cl)cn12 ZINC000093958663 193332063 /nfs/dbraw/zinc/33/20/63/193332063.db2.gz YHMZOMXWYSFCEU-JTQLQIEISA-N 0 0 300.767 0.934 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)Oc2cnn(C(C)C)c2)CC1 ZINC000569471044 291481123 /nfs/dbraw/zinc/48/11/23/291481123.db2.gz FVOOSFONROCKPD-LBPRGKRZSA-N 0 0 308.382 0.922 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)NCc1cn2c(n1)CCCC2 ZINC000263768197 203554553 /nfs/dbraw/zinc/55/45/53/203554553.db2.gz MSTPMFXIXROHQT-LLVKDONJSA-N 0 0 303.370 0.699 10 0 DCAERN CC(C)CC(=O)N1CCC2(CC1)O[C@@H](C(N)=O)Cn1ccnc12 ZINC000096087730 193531929 /nfs/dbraw/zinc/53/19/29/193531929.db2.gz VDCCLVDONPVLPS-GFCCVEGCSA-N 0 0 320.393 0.631 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000370487336 284256122 /nfs/dbraw/zinc/25/61/22/284256122.db2.gz IYGGRYKUHUGDDM-SNVBAGLBSA-N 0 0 320.345 0.875 10 0 DCAERN Cc1c(C(=O)N2[C@H](C)COC[C@@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000408218229 291520437 /nfs/dbraw/zinc/52/04/37/291520437.db2.gz HKRPPFCNWJQZEJ-AOOOYVTPSA-N 0 0 317.349 0.926 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282506927 217048882 /nfs/dbraw/zinc/04/88/82/217048882.db2.gz XPSZREYEUZXOAQ-LLVKDONJSA-N 0 0 324.402 0.701 10 0 DCAERN OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@H]1O ZINC000013544321 181860070 /nfs/dbraw/zinc/86/00/70/181860070.db2.gz MWHKPYATGMFFPI-JKJDWNRSSA-N 0 0 306.314 0.019 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000191146313 284319704 /nfs/dbraw/zinc/31/97/04/284319704.db2.gz PKNQFBQEPBCZSS-QWRGUYRKSA-N 0 0 322.413 0.841 10 0 DCAERN CNC(=O)c1ccc(N2CCN(Cc3cc(C)no3)CC2)nn1 ZINC000265998326 205012313 /nfs/dbraw/zinc/01/23/13/205012313.db2.gz KIFTUURXPCDLTC-UHFFFAOYSA-N 0 0 316.365 0.455 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(CCSC3)C2)C1 ZINC000572122934 291549648 /nfs/dbraw/zinc/54/96/48/291549648.db2.gz XFFCCLQJWYBUBZ-LSDHHAIUSA-N 0 0 312.435 0.979 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1N1CCOCC1 ZINC000266109353 205103137 /nfs/dbraw/zinc/10/31/37/205103137.db2.gz AHLAOUGZDANORZ-JSGCOSHPSA-N 0 0 315.377 0.522 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266108565 205103185 /nfs/dbraw/zinc/10/31/85/205103185.db2.gz MGPSBKJCNUSWTE-OLZOCXBDSA-N 0 0 316.357 0.980 10 0 DCAERN Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000021810923 182291945 /nfs/dbraw/zinc/29/19/45/182291945.db2.gz KVPUUCXPVNGCGW-MRVPVSSYSA-N 0 0 324.811 0.388 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1N ZINC000021812963 182292678 /nfs/dbraw/zinc/29/26/78/182292678.db2.gz ZIOHEWYWENFWGE-VIFPVBQESA-N 0 0 304.393 0.043 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000022557139 182326109 /nfs/dbraw/zinc/32/61/09/182326109.db2.gz WMCYNSFLHYDCMI-VIFPVBQESA-N 0 0 313.427 0.669 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000274520383 211686191 /nfs/dbraw/zinc/68/61/91/211686191.db2.gz SDBBKZXODYQFNC-OLZOCXBDSA-N 0 0 305.382 0.700 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)NCC(=O)NC(C)(C)C)cc12 ZINC000023750885 182368055 /nfs/dbraw/zinc/36/80/55/182368055.db2.gz ASPIXOPCAICADR-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@@H]([NH3+])C3)nc21 ZINC000029333288 182561466 /nfs/dbraw/zinc/56/14/66/182561466.db2.gz BQDVLIDLHOSQHC-MRVPVSSYSA-N 0 0 320.324 0.791 10 0 in-man DCAERN CC1(C)[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)[C@H]2CCO[C@@H]21 ZINC000573396639 291629539 /nfs/dbraw/zinc/62/95/39/291629539.db2.gz HMYVXKIDQPLKNJ-UPJWGTAASA-N 0 0 322.405 0.555 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000375557712 291634595 /nfs/dbraw/zinc/63/45/95/291634595.db2.gz NJZONTKBMKYHCE-FMSGJZPZSA-N 0 0 308.378 0.655 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000038020726 182967582 /nfs/dbraw/zinc/96/75/82/182967582.db2.gz SQEJWNPNZTUITF-LLVKDONJSA-N 0 0 320.411 0.212 10 0 DCAERN COC(=O)C[C@H](C)[C@@H](N[C@@H](C)C(=O)OC)C(=O)NC(C)(C)C ZINC000038807025 183010033 /nfs/dbraw/zinc/01/00/33/183010033.db2.gz VSCJDWJUDRCNTR-JBLDHEPKSA-N 0 0 316.398 0.620 10 0 DCAERN CCc1ccc(S(=O)(=O)NCCS(=O)(=O)NC)s1 ZINC000040636534 183113407 /nfs/dbraw/zinc/11/34/07/183113407.db2.gz GGTHWKIIJQRNCM-UHFFFAOYSA-N 0 0 312.438 0.138 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCCN(C(N)=O)CC2)C1 ZINC000102187169 193868051 /nfs/dbraw/zinc/86/80/51/193868051.db2.gz SLMQJPKRQIUONW-ZDUSSCGKSA-N 0 0 324.425 0.638 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000103959088 193969327 /nfs/dbraw/zinc/96/93/27/193969327.db2.gz NBGZGLJQIKWSJP-LBPRGKRZSA-N 0 0 307.325 0.293 10 0 DCAERN O=C(c1cnc2n[nH]nc2c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408202961 296284760 /nfs/dbraw/zinc/28/47/60/296284760.db2.gz JYQPDDVIYWGMGS-JTQLQIEISA-N 0 0 301.228 0.492 10 0 DCAERN COCCN(CCO)CC(=O)NCCN1CCc2ccccc21 ZINC000104958897 194059404 /nfs/dbraw/zinc/05/94/04/194059404.db2.gz YOCMFQDVUAZRBY-UHFFFAOYSA-N 0 0 321.421 0.106 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000105034964 194065849 /nfs/dbraw/zinc/06/58/49/194065849.db2.gz KAHTXOZEYXGAGC-LBPRGKRZSA-N 0 0 303.428 0.301 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000370154274 291713468 /nfs/dbraw/zinc/71/34/68/291713468.db2.gz RTWRIERJTWJRLL-GRYCIOLGSA-N 0 0 305.396 0.769 10 0 DCAERN C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CCNC(=O)CC1 ZINC000105202022 194084619 /nfs/dbraw/zinc/08/46/19/194084619.db2.gz SISZBSLYYMYLMV-CYBMUJFWSA-N 0 0 316.405 0.969 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CCN(C2CC2)CC1)N1CCOCC1 ZINC000105298313 194093875 /nfs/dbraw/zinc/09/38/75/194093875.db2.gz RMDDWIUGKCLXMO-UONOGXRCSA-N 0 0 310.442 0.585 10 0 DCAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1nnnn1-c1ccccc1 ZINC000105672898 194118625 /nfs/dbraw/zinc/11/86/25/194118625.db2.gz FFIPBKHLVUTRFB-JOCHJYFZSA-N 0 0 321.406 0.826 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)N(C)C3CC3)CC2)no1 ZINC000105867164 194150192 /nfs/dbraw/zinc/15/01/92/194150192.db2.gz GRGDAXKADOJOPJ-UHFFFAOYSA-N 0 0 307.398 0.507 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000105833414 194142625 /nfs/dbraw/zinc/14/26/25/194142625.db2.gz NAIDFQZMFYSDDI-KGLIPLIRSA-N 0 0 301.431 0.180 10 0 DCAERN CCCCOCCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105890579 194158518 /nfs/dbraw/zinc/15/85/18/194158518.db2.gz CMWYGSSCNUVJHR-OAHLLOKOSA-N 0 0 324.425 0.517 10 0 DCAERN CN(C)C[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCO1 ZINC000105904357 194166375 /nfs/dbraw/zinc/16/63/75/194166375.db2.gz YYEWKBHGEQGDPW-AWEZNQCLSA-N 0 0 312.435 0.723 10 0 DCAERN COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc(C)sc1C ZINC000106230481 194191975 /nfs/dbraw/zinc/19/19/75/194191975.db2.gz YWSBEUXLUDZHMN-VIFPVBQESA-N 0 0 320.436 0.876 10 0 DCAERN CN1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H](c2ccccc2)C1 ZINC000106557012 194229767 /nfs/dbraw/zinc/22/97/67/194229767.db2.gz JVIKOVARIHRIBV-STQMWFEESA-N 0 0 316.361 0.100 10 0 DCAERN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C)C(N)=O)c1 ZINC000110186188 194315630 /nfs/dbraw/zinc/31/56/30/194315630.db2.gz FZBWYGMSPVPVIG-MRVPVSSYSA-N 0 0 316.354 0.611 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NC[C@H]2C[C@H]2c2ccccc2)c1=O ZINC000110445494 194331202 /nfs/dbraw/zinc/33/12/02/194331202.db2.gz RPZUKXMPZPRRGL-KGLIPLIRSA-N 0 0 313.357 0.467 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(c2ccccc2)C1=O ZINC000110888708 194366616 /nfs/dbraw/zinc/36/66/16/194366616.db2.gz BFWMCJWIPPOCCS-STQMWFEESA-N 0 0 301.346 0.529 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC000110903750 194367572 /nfs/dbraw/zinc/36/75/72/194367572.db2.gz NWNXRLWLIYLOFQ-STQMWFEESA-N 0 0 306.366 0.006 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407954192 296316193 /nfs/dbraw/zinc/31/61/93/296316193.db2.gz DWPJOUOMCQCVKG-LLVKDONJSA-N 0 0 301.412 0.412 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042747871 296318028 /nfs/dbraw/zinc/31/80/28/296318028.db2.gz PJEOMWVVTVEZKT-GRYCIOLGSA-N 0 0 303.428 0.691 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112056580 194428325 /nfs/dbraw/zinc/42/83/25/194428325.db2.gz NNXWZMFKIRVMTP-QMMMGPOBSA-N 0 0 309.288 0.182 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000056984082 184023664 /nfs/dbraw/zinc/02/36/64/184023664.db2.gz DIGQXBSUUFWGSM-CHWSQXEVSA-N 0 0 321.381 0.150 10 0 DCAERN COc1cc(OC)c(CNC(=O)[C@@H]2CCC(=O)N2)c(OC)c1 ZINC000058940748 184132501 /nfs/dbraw/zinc/13/25/01/184132501.db2.gz XEAKWOJTDZAKFL-NSHDSACASA-N 0 0 308.334 0.607 10 0 DCAERN CN(C)c1nc(Cl)nc(N[C@]2(C)CCS(=O)(=O)C2)n1 ZINC000061541045 184174276 /nfs/dbraw/zinc/17/42/76/184174276.db2.gz ORGOOQNQHHYDTO-SNVBAGLBSA-N 0 0 305.791 0.580 10 0 DCAERN NC(=O)CN(CC(N)=O)CC(=O)c1cc(Cl)sc1Cl ZINC000061808150 184188417 /nfs/dbraw/zinc/18/84/17/184188417.db2.gz SVDRUYHWDBMOOQ-UHFFFAOYSA-N 0 0 324.189 0.510 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCc2ccnn2C)c(C)c1 ZINC000066209429 184396689 /nfs/dbraw/zinc/39/66/89/184396689.db2.gz BISXMIDHWQOYEP-UHFFFAOYSA-N 0 0 302.334 0.992 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)[C@H]1C ZINC000112895060 194532555 /nfs/dbraw/zinc/53/25/55/194532555.db2.gz SBBSFWIYSPHQRR-WDEREUQCSA-N 0 0 304.350 0.544 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000185790511 252613017 /nfs/dbraw/zinc/61/30/17/252613017.db2.gz OWZUYDQTVOGZEB-LLVKDONJSA-N 0 0 307.325 0.573 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)N(C(C)=O)C1 ZINC000333203516 252693732 /nfs/dbraw/zinc/69/37/32/252693732.db2.gz OEBABUMORLHGHO-MPTYRVRUSA-N 0 0 324.421 0.776 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000333443518 252723278 /nfs/dbraw/zinc/72/32/78/252723278.db2.gz QDOBXFARKZECQT-UTUOFQBUSA-N 0 0 318.439 0.873 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)C1 ZINC000333611933 252744005 /nfs/dbraw/zinc/74/40/05/252744005.db2.gz FAELZLGZMULETP-OLZOCXBDSA-N 0 0 315.439 0.898 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000333646290 252746886 /nfs/dbraw/zinc/74/68/86/252746886.db2.gz VCQDBMUDEHYFPH-QWRGUYRKSA-N 0 0 306.370 0.556 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000336810825 252795736 /nfs/dbraw/zinc/79/57/36/252795736.db2.gz JPTPWASHEKLBPA-IUCAKERBSA-N 0 0 307.803 0.903 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC000300695901 533015693 /nfs/dbraw/zinc/01/56/93/533015693.db2.gz RQIVPTUZLPFBEQ-HTQZYQBOSA-N 0 0 321.786 0.503 10 0 DCAERN COCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000184846628 285066970 /nfs/dbraw/zinc/06/69/70/285066970.db2.gz FSNOEQQGCIPCAG-ZDUSSCGKSA-N 0 0 309.341 0.963 10 0 DCAERN CC(=O)CCc1ccc(OCCC(=O)NC[C@](C)(O)CO)cc1 ZINC000338621166 252973877 /nfs/dbraw/zinc/97/38/77/252973877.db2.gz DZZFVNHHIWRIOR-KRWDZBQOSA-N 0 0 323.389 0.837 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000407991641 296365110 /nfs/dbraw/zinc/36/51/10/296365110.db2.gz PNQHRMWTLVOCGU-BXKDBHETSA-N 0 0 308.300 0.771 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC000408111128 291858305 /nfs/dbraw/zinc/85/83/05/291858305.db2.gz ZZTFMEKCRCQNNQ-QWRGUYRKSA-N 0 0 317.407 0.611 10 0 DCAERN C[C@@H](NC(=O)CN1CCC([C@@H](O)C(N)=O)CC1)c1ccccc1 ZINC000299749933 533074651 /nfs/dbraw/zinc/07/46/51/533074651.db2.gz MDCHZIFXMLJZST-MLGOLLRUSA-N 0 0 319.405 0.422 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000345124026 253886224 /nfs/dbraw/zinc/88/62/24/253886224.db2.gz AAYKTUMPQWNVDD-KBPBESRZSA-N 0 0 318.373 0.986 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)C2CN(CC(F)F)C2)CC1 ZINC000346316008 254036319 /nfs/dbraw/zinc/03/63/19/254036319.db2.gz VJPPJUNRPGEUAB-UHFFFAOYSA-N 0 0 303.353 0.653 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN2C(=O)NC(=O)C2(C)C)s1 ZINC000346210189 254022565 /nfs/dbraw/zinc/02/25/65/254022565.db2.gz HOUKNCUBPVYVJT-UHFFFAOYSA-N 0 0 310.335 0.615 10 0 DCAERN CC(=O)NCC(=O)N(C)C[C@H]1OCCN(C)[C@@H]1c1ccccc1 ZINC000347450896 254157701 /nfs/dbraw/zinc/15/77/01/254157701.db2.gz PCXNPEFHZIZVMZ-NVXWUHKLSA-N 0 0 319.405 0.653 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C(=O)[C@H]1CCCOC1)N1CCOCC1 ZINC000347262339 254143303 /nfs/dbraw/zinc/14/33/03/254143303.db2.gz PGZXNIWPOVHRPR-XQQFMLRXSA-N 0 0 314.357 0.211 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000348635727 254248002 /nfs/dbraw/zinc/24/80/02/254248002.db2.gz SXJNENVYWWVIMD-LBPRGKRZSA-N 0 0 304.350 0.733 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)S(=O)(=O)CC2)C1 ZINC000248668968 296395545 /nfs/dbraw/zinc/39/55/45/296395545.db2.gz PFCRQWQJBBWJFP-VXGBXAGGSA-N 0 0 324.468 0.472 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](C)S(=O)(=O)CC2)C1 ZINC000192278030 296395748 /nfs/dbraw/zinc/39/57/48/296395748.db2.gz PFCRQWQJBBWJFP-NEPJUHHUSA-N 0 0 324.468 0.472 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H]1C ZINC000351054069 254332717 /nfs/dbraw/zinc/33/27/17/254332717.db2.gz JBUFAOWONWIKTM-JQWIXIFHSA-N 0 0 319.361 0.590 10 0 DCAERN C[C@H](CNC(=O)c1ccccc1Br)S(N)(=O)=O ZINC000350621414 254320454 /nfs/dbraw/zinc/32/04/54/254320454.db2.gz RHDFDBULAFBLKP-SSDOTTSWSA-N 0 0 321.196 0.856 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(C)nc1C ZINC000189058641 291921652 /nfs/dbraw/zinc/92/16/52/291921652.db2.gz JQMHUUNFJCBGGC-CYBMUJFWSA-N 0 0 312.391 0.470 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155540456 296425175 /nfs/dbraw/zinc/42/51/75/296425175.db2.gz ROVLQNULUKBNDJ-JHJVBQTASA-N 0 0 302.440 0.895 10 0 DCAERN Cn1cc(N2CC[C@]3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1 ZINC000248133903 257108079 /nfs/dbraw/zinc/10/80/79/257108079.db2.gz NZPMEKDDDBFHMA-BBRMVZONSA-N 0 0 318.377 0.555 10 0 DCAERN Cc1nnc(C[C@@H]2C[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]3O2)o1 ZINC000248025992 257110645 /nfs/dbraw/zinc/11/06/45/257110645.db2.gz NQTFTRCKMLAZOF-MDZLAQPJSA-N 0 0 315.333 0.640 10 0 DCAERN Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3N(S(=O)(=O)C3CC3)C2)n1 ZINC000248035714 257111141 /nfs/dbraw/zinc/11/11/41/257111141.db2.gz NBNBGVOQZYJIAE-USWWRNFRSA-N 0 0 313.379 0.817 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2c(C)noc2C)Cc2ccnn21 ZINC000247948399 257114114 /nfs/dbraw/zinc/11/41/14/257114114.db2.gz KQWKGEOBSZYNLD-LLVKDONJSA-N 0 0 303.322 0.431 10 0 DCAERN O=C(c1cscn1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@@H]21 ZINC000247838752 257116321 /nfs/dbraw/zinc/11/63/21/257116321.db2.gz DRXIRNHCUGEZJH-WZRBSPASSA-N 0 0 321.402 0.853 10 0 DCAERN O=C([C@@H]1COC[C@@H]2CN(c3ncccn3)C[C@@H]21)N1CCOCC1 ZINC000247760653 257118048 /nfs/dbraw/zinc/11/80/48/257118048.db2.gz HANOKMDWWYZRTA-MELADBBJSA-N 0 0 318.377 0.034 10 0 DCAERN O=C([C@@H]1CC(c2cc(F)ccc2F)=NO1)N1CCNC(=O)CC1 ZINC000069697876 184837519 /nfs/dbraw/zinc/83/75/19/184837519.db2.gz QRHFSGLSERHVBE-ZDUSSCGKSA-N 0 0 323.299 0.806 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)N1CCCCC1 ZINC000178773536 533269590 /nfs/dbraw/zinc/26/95/90/533269590.db2.gz PDEXPUJQVZYCHT-OLZOCXBDSA-N 0 0 304.394 0.963 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H](O)C2CCCCC2)C1 ZINC000188040790 533413603 /nfs/dbraw/zinc/41/36/03/533413603.db2.gz VCFXJLBGDVNWQK-NEPJUHHUSA-N 0 0 304.412 0.078 10 0 DCAERN CSCCC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000193294409 533530317 /nfs/dbraw/zinc/53/03/17/533530317.db2.gz HDKSSIGAUTVOBX-UHFFFAOYSA-N 0 0 316.448 0.975 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cnn(C)c1I ZINC000294900513 533623623 /nfs/dbraw/zinc/62/36/23/533623623.db2.gz FLWXIPNCYDDYLG-ZCFIWIBFSA-N 0 0 323.134 0.525 10 0 DCAERN CC1(C)C[C@@H]1C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000275698557 130366827 /nfs/dbraw/zinc/36/68/27/130366827.db2.gz NIMZPEOYEBNCIG-LLVKDONJSA-N 0 0 300.366 0.819 10 0 DCAERN C[C@]1(C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)CCCO1 ZINC000275833321 130394068 /nfs/dbraw/zinc/39/40/68/130394068.db2.gz VNJURPJNGHZOFU-XHDPSFHLSA-N 0 0 306.366 0.836 10 0 DCAERN COC[C@H]1CN(C(=O)c2cnc3c(c2)nnn3C)CC(C)(C)O1 ZINC000285396062 285461369 /nfs/dbraw/zinc/46/13/69/285461369.db2.gz FPHRDCFYQWLART-LLVKDONJSA-N 0 0 319.365 0.629 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCc3ccccc3C2)C1 ZINC000283532692 131000850 /nfs/dbraw/zinc/00/08/50/131000850.db2.gz CAYFTWRRKNMWMU-ZDUSSCGKSA-N 0 0 302.378 0.867 10 0 DCAERN C[C@@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2)CC(=O)N1C ZINC000283530095 131000890 /nfs/dbraw/zinc/00/08/90/131000890.db2.gz NTBVXOTURYAVDQ-CYBMUJFWSA-N 0 0 312.373 0.959 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@H]2CCc3nccn3C2)CC(=O)N1C ZINC000283568444 131004347 /nfs/dbraw/zinc/00/43/47/131004347.db2.gz QFRRYTCHJUVASL-VXGBXAGGSA-N 0 0 305.382 0.318 10 0 DCAERN Cn1nccc1COCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000283836291 131028535 /nfs/dbraw/zinc/02/85/35/131028535.db2.gz GATQGJCTSOJSMS-LBPRGKRZSA-N 0 0 304.354 0.392 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961407 131036363 /nfs/dbraw/zinc/03/63/63/131036363.db2.gz GNZHIOHRLILDON-HZPDHXFCSA-N 0 0 314.389 0.968 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284043090 131043249 /nfs/dbraw/zinc/04/32/49/131043249.db2.gz OXOZASYNSIZPKG-MGPQQGTHSA-N 0 0 307.398 0.386 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1F ZINC000284415260 131079001 /nfs/dbraw/zinc/07/90/01/131079001.db2.gz DKAUCEQZQIJTTP-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2cc(F)ccc2F)[C@@H]1C(N)=O ZINC000284426130 131080261 /nfs/dbraw/zinc/08/02/61/131080261.db2.gz FFTXHIFVYORKNW-HQJQHLMTSA-N 0 0 320.317 0.228 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cs1 ZINC000284434323 131080893 /nfs/dbraw/zinc/08/08/93/131080893.db2.gz JKRCJEAWPGNTQV-RYUDHWBXSA-N 0 0 324.406 0.647 10 0 DCAERN COc1cc(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)ccc1F ZINC000284572541 131092919 /nfs/dbraw/zinc/09/29/19/131092919.db2.gz ICBHWCLPBMKSBB-AWEZNQCLSA-N 0 0 306.297 0.686 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)ccc1F ZINC000284704161 131105493 /nfs/dbraw/zinc/10/54/93/131105493.db2.gz KBJJHFPNQXRVHL-MWLCHTKSSA-N 0 0 300.355 0.876 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284793066 131111460 /nfs/dbraw/zinc/11/14/60/131111460.db2.gz RNSHOZMQORBDDJ-YPMHNXCESA-N 0 0 312.391 0.399 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCN(C)[C@H](c3nc(C)no3)C2)n1 ZINC000284966846 131127563 /nfs/dbraw/zinc/12/75/63/131127563.db2.gz RQQOALOIMHDIAB-LBPRGKRZSA-N 0 0 318.381 0.925 10 0 DCAERN Cc1ccc(-n2nnnc2N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000284980290 131127943 /nfs/dbraw/zinc/12/79/43/131127943.db2.gz KYEGHIKZZKDXKC-HUUCEWRRSA-N 0 0 314.393 0.880 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000285199037 131146237 /nfs/dbraw/zinc/14/62/37/131146237.db2.gz OADGEZQZZISHHE-CJNGLKHVSA-N 0 0 319.405 0.228 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285516316 131176001 /nfs/dbraw/zinc/17/60/01/131176001.db2.gz MZBKBBLRQMJBLK-LRDDRELGSA-N 0 0 306.362 0.431 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C(N)=O ZINC000285540571 131179503 /nfs/dbraw/zinc/17/95/03/131179503.db2.gz ODXNWKMCWOFALE-ZYHUDNBSSA-N 0 0 301.350 0.404 10 0 DCAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285633516 131188134 /nfs/dbraw/zinc/18/81/34/131188134.db2.gz SXTXKMKGOUKVLX-ZETOZRRWSA-N 0 0 308.403 0.999 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)Nc1cccc2c1OCC(=O)N2 ZINC000290277373 131471989 /nfs/dbraw/zinc/47/19/89/131471989.db2.gz WVHGTHTVSVYZGJ-SECBINFHSA-N 0 0 316.321 0.819 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC000291379921 131564752 /nfs/dbraw/zinc/56/47/52/131564752.db2.gz BIDUVUMWBHCHEX-UHFFFAOYSA-N 0 0 309.370 0.527 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185264157 288406090 /nfs/dbraw/zinc/40/60/90/288406090.db2.gz HAADGLBUMRLSRE-SECBINFHSA-N 0 0 308.363 0.227 10 0 DCAERN C[C@@H](CN1CCN(Cc2cccnc2)CC1)CS(C)(=O)=O ZINC000119765421 132137592 /nfs/dbraw/zinc/13/75/92/132137592.db2.gz QSDGSNWDWBGQSY-AWEZNQCLSA-N 0 0 311.451 0.880 10 0 DCAERN C[C@H](CN1CCN(Cc2cccnc2)CC1)CS(C)(=O)=O ZINC000119765567 132137661 /nfs/dbraw/zinc/13/76/61/132137661.db2.gz QSDGSNWDWBGQSY-CQSZACIVSA-N 0 0 311.451 0.880 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121898418 132160195 /nfs/dbraw/zinc/16/01/95/132160195.db2.gz RGDVNEUXRRYRDQ-LLVKDONJSA-N 0 0 304.412 0.327 10 0 DCAERN COc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cn1 ZINC000014269125 395689484 /nfs/dbraw/zinc/68/94/84/395689484.db2.gz GEINTFHQGIQWSK-UHFFFAOYSA-N 0 0 314.305 0.172 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NC(N)=O)CC2)nc(C(C)C)n1 ZINC000015032529 395689711 /nfs/dbraw/zinc/68/97/11/395689711.db2.gz JFSDHCKVLRVQQE-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN CCN1CCN([C@H]2CC(=O)N(c3ccc(O)cc3C)C2=O)CC1 ZINC000023476951 395692512 /nfs/dbraw/zinc/69/25/12/395692512.db2.gz NXMNFKWZMGJEOD-HNNXBMFYSA-N 0 0 317.389 0.970 10 0 DCAERN O=C(CCNC(=O)c1ccco1)NCC(=O)NCc1ccco1 ZINC000024180507 395692764 /nfs/dbraw/zinc/69/27/64/395692764.db2.gz PZWPMUAFSWZVTL-UHFFFAOYSA-N 0 0 319.317 0.425 10 0 DCAERN Cc1cnc(N[C@H]2CCN(C)C2=O)nc1N[C@@H]1CCN(C)C1=O ZINC000085687778 395701661 /nfs/dbraw/zinc/70/16/61/395701661.db2.gz CSJNADXKGUXYNO-MNOVXSKESA-N 0 0 318.381 0.070 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1 ZINC000089165458 395709041 /nfs/dbraw/zinc/70/90/41/395709041.db2.gz UPUKMSHDDAQETR-YPMHNXCESA-N 0 0 313.375 0.913 10 0 DCAERN C[C@@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H]1O ZINC000089414248 395711236 /nfs/dbraw/zinc/71/12/36/395711236.db2.gz NCQSSHFYLKFTDC-OLZOCXBDSA-N 0 0 318.439 0.422 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000089412861 395711256 /nfs/dbraw/zinc/71/12/56/395711256.db2.gz ZEWWRJXZJVHHNO-QMTHXVAHSA-N 0 0 317.393 0.903 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H](C)[C@@H](O)C3)nc2n1 ZINC000089429737 395711592 /nfs/dbraw/zinc/71/15/92/395711592.db2.gz SUVQNTALRGGMQN-CABZTGNLSA-N 0 0 303.366 0.513 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H]1O ZINC000089429294 395711596 /nfs/dbraw/zinc/71/15/96/395711596.db2.gz HGJBLFHGZLBWFZ-RISCZKNCSA-N 0 0 301.346 0.626 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000032828370 395713767 /nfs/dbraw/zinc/71/37/67/395713767.db2.gz TUYOCKFILANZFW-RMRHIDDWSA-N 0 0 313.442 0.761 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(-n2ccnn2)cc1)N1CCOCC1 ZINC000089707938 395714142 /nfs/dbraw/zinc/71/41/42/395714142.db2.gz SRUKXKYNLKWOGD-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(Br)c1 ZINC000089752684 395714267 /nfs/dbraw/zinc/71/42/67/395714267.db2.gz PYUXLRXMCSKDBP-VIFPVBQESA-N 0 0 311.135 0.984 10 0 DCAERN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCNCC3)c2)no1 ZINC000032918009 395714734 /nfs/dbraw/zinc/71/47/34/395714734.db2.gz FXMOQCUDWAQZEH-UHFFFAOYSA-N 0 0 322.390 0.947 10 0 DCAERN CCNC(=O)C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000090070344 395718313 /nfs/dbraw/zinc/71/83/13/395718313.db2.gz HLOZYQZLTPQCJM-UHFFFAOYSA-N 0 0 300.366 0.960 10 0 DCAERN COc1ccnc(N2CCC(C(=O)Nc3nc[nH]n3)CC2)n1 ZINC000026257864 395694259 /nfs/dbraw/zinc/69/42/59/395694259.db2.gz SWWDADDQJDWYRM-UHFFFAOYSA-N 0 0 303.326 0.458 10 0 DCAERN CCN1C[C@H](C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000029022611 395696699 /nfs/dbraw/zinc/69/66/99/395696699.db2.gz KJSKJSKYYAYCCO-CYBMUJFWSA-N 0 0 313.361 0.752 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000376613571 304312615 /nfs/dbraw/zinc/31/26/15/304312615.db2.gz YYJRKBBRDQPRLZ-OLZOCXBDSA-N 0 0 323.393 0.546 10 0 DCAERN NC(=O)c1cncc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000092688086 395732928 /nfs/dbraw/zinc/73/29/28/395732928.db2.gz LRQZHCPNXCXYRK-ZWNOBZJWSA-N 0 0 315.377 0.555 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(CO)CC1 ZINC000037896351 395730093 /nfs/dbraw/zinc/73/00/93/395730093.db2.gz GQMHVWUBCHPLTJ-ZDUSSCGKSA-N 0 0 318.439 0.422 10 0 DCAERN CC1(C)O[C@H]2OC(CO)(CO)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000038243064 395731874 /nfs/dbraw/zinc/73/18/74/395731874.db2.gz QVXXTLFHRGMIHD-MCIONIFRSA-N 0 0 310.346 0.803 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@H](O)C3)cc12 ZINC000093052294 395735775 /nfs/dbraw/zinc/73/57/75/395735775.db2.gz RVVXQCKNASVZTM-PRHODGIISA-N 0 0 311.363 0.923 10 0 DCAERN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)N1CCOCC1 ZINC000041600532 395738494 /nfs/dbraw/zinc/73/84/94/395738494.db2.gz SZADSHWIEOKAQY-NSHDSACASA-N 0 0 309.341 0.601 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCC[C@H](c3nn[nH]n3)C2)n1 ZINC000097234752 395756360 /nfs/dbraw/zinc/75/63/60/395756360.db2.gz CILNSSFSQANUOA-JTQLQIEISA-N 0 0 317.401 0.958 10 0 DCAERN COC(=O)CN(C(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000097324361 395757050 /nfs/dbraw/zinc/75/70/50/395757050.db2.gz JZOJRIAACVPNHF-UHFFFAOYSA-N 0 0 317.345 0.807 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(CCO)CC(F)F ZINC000193831983 395779690 /nfs/dbraw/zinc/77/96/90/395779690.db2.gz IUGXEEVNUIKSOA-UHFFFAOYSA-N 0 0 305.281 0.570 10 0 DCAERN CCO[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000193904625 395782337 /nfs/dbraw/zinc/78/23/37/395782337.db2.gz XGQPWNBNOLMUDV-CVEARBPZSA-N 0 0 322.405 0.574 10 0 DCAERN OC[C@H]1O[C@@H](OCCCC2CCCCC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106382366 395782625 /nfs/dbraw/zinc/78/26/25/395782625.db2.gz DQXKLNVVAXZAEN-KJWHEZOQSA-N 0 0 304.383 0.163 10 0 DCAERN OC[C@@H]1O[C@@H](OCCCCC2CCCCC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106382333 395782778 /nfs/dbraw/zinc/78/27/78/395782778.db2.gz PZPARHKVNAJBDB-UYJHQMFVSA-N 0 0 318.410 0.554 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2cccc(O)c2)cn1 ZINC000193991666 395784687 /nfs/dbraw/zinc/78/46/87/395784687.db2.gz PKYLIPDMYOHJIR-UHFFFAOYSA-N 0 0 303.322 0.656 10 0 DCAERN CN(C)C(=O)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047031310 395785864 /nfs/dbraw/zinc/78/58/64/395785864.db2.gz JMUVCGXOGBQBDL-LBPRGKRZSA-N 0 0 320.397 0.223 10 0 DCAERN COc1cc(Cc2c(N)[nH]c(N)nc2=O)cc(OC)c1OC ZINC000097975064 395761331 /nfs/dbraw/zinc/76/13/31/395761331.db2.gz LVHDAYVZBWCTEV-QMMMGPOBSA-N 0 0 306.322 0.083 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000101437736 395764109 /nfs/dbraw/zinc/76/41/09/395764109.db2.gz YATDDJNPIHGIIX-QWHCGFSZSA-N 0 0 319.409 0.843 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)NCCNC(=O)c1ccccc1 ZINC000045638049 395764391 /nfs/dbraw/zinc/76/43/91/395764391.db2.gz DPTZUJXYZMTNAJ-UHFFFAOYSA-N 0 0 315.377 0.992 10 0 DCAERN COc1ccc(CNC(=O)CNC(N)=O)cc1Br ZINC000101683365 395766574 /nfs/dbraw/zinc/76/65/74/395766574.db2.gz ZJGGCXQHMXTVMZ-UHFFFAOYSA-N 0 0 316.155 0.742 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788784 395779175 /nfs/dbraw/zinc/77/91/75/395779175.db2.gz RTQJBNFVWKTLDF-JTQLQIEISA-N 0 0 313.320 0.585 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725661 395805625 /nfs/dbraw/zinc/80/56/25/395805625.db2.gz ZDCJEVCZLPJLMR-OAHLLOKOSA-N 0 0 317.389 0.874 10 0 DCAERN CC(C)NC(=O)CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000048160007 395809660 /nfs/dbraw/zinc/80/96/60/395809660.db2.gz BNBKZNPZGKGDQN-UHFFFAOYSA-N 0 0 319.409 0.874 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)c3nccnc3N)CC2)s1 ZINC000111622801 395810459 /nfs/dbraw/zinc/81/04/59/395810459.db2.gz VLSYQJLJWDMUQU-UHFFFAOYSA-N 0 0 318.406 0.782 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649809 395811120 /nfs/dbraw/zinc/81/11/20/395811120.db2.gz RWEOVRLFHISSOC-ZDUSSCGKSA-N 0 0 308.382 0.417 10 0 DCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@H](C)C2)sc2nccn12 ZINC000270836244 395813706 /nfs/dbraw/zinc/81/37/06/395813706.db2.gz TYJQOYPGJGTYRC-MRVPVSSYSA-N 0 0 313.404 0.963 10 0 DCAERN O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCN(C2CC2)CC1 ZINC000195129871 395817156 /nfs/dbraw/zinc/81/71/56/395817156.db2.gz IIJSFYKFLSJICD-WDEREUQCSA-N 0 0 319.327 0.750 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)s1 ZINC000112673821 395820655 /nfs/dbraw/zinc/82/06/55/395820655.db2.gz PSOGOQMQCIMAGJ-JTQLQIEISA-N 0 0 319.404 0.873 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@H]1COc2ccccc2C1 ZINC000112744408 395824179 /nfs/dbraw/zinc/82/41/79/395824179.db2.gz VSFSDLYIYIFYAM-CHWSQXEVSA-N 0 0 313.361 0.896 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000195492609 395829923 /nfs/dbraw/zinc/82/99/23/395829923.db2.gz YSPYHOQYPPQKHW-OLZOCXBDSA-N 0 0 309.410 0.620 10 0 DCAERN O=C1NCCC[C@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394901 395838748 /nfs/dbraw/zinc/83/87/48/395838748.db2.gz NUUORPOAEBSZCL-NWDGAFQWSA-N 0 0 312.366 0.912 10 0 DCAERN CC(C)(O)c1c(CO)c(Br)c2c(N)ncnn21 ZINC000217873282 395840656 /nfs/dbraw/zinc/84/06/56/395840656.db2.gz XYCFPRYSUGTDEQ-UHFFFAOYSA-N 0 0 301.144 0.794 10 0 DCAERN O=C(OCc1ccccc1)N1CC(O)([C@H](O)CC2OCCO2)C1 ZINC000116325959 395842987 /nfs/dbraw/zinc/84/29/87/395842987.db2.gz YRKHXZXDUUMCLT-CYBMUJFWSA-N 0 0 323.345 0.494 10 0 DCAERN CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116829962 395846294 /nfs/dbraw/zinc/84/62/94/395846294.db2.gz JXEXQNIVGDDDON-WCQYABFASA-N 0 0 318.439 0.874 10 0 DCAERN CCc1nc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cs1 ZINC000116833963 395847026 /nfs/dbraw/zinc/84/70/26/395847026.db2.gz MDXFMMQPGYOICT-SECBINFHSA-N 0 0 317.436 0.398 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000116833031 395847214 /nfs/dbraw/zinc/84/72/14/395847214.db2.gz VEBJNABYEQYYMP-LBPRGKRZSA-N 0 0 300.355 0.518 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c2ccccc21 ZINC000116834544 395847677 /nfs/dbraw/zinc/84/76/77/395847677.db2.gz JNSYDSBUTCPTTH-LLVKDONJSA-N 0 0 321.402 0.942 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000116889601 395848822 /nfs/dbraw/zinc/84/88/22/395848822.db2.gz ONYYQIVRCOHEDU-LBPRGKRZSA-N 0 0 312.391 0.581 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000271232738 395849463 /nfs/dbraw/zinc/84/94/63/395849463.db2.gz QYGNCGSQRIUIMX-SECBINFHSA-N 0 0 305.338 0.265 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)CCNC(N)=O)C2)c1 ZINC000117423390 395853312 /nfs/dbraw/zinc/85/33/12/395853312.db2.gz DRCWRPWTKPYXHX-GFCCVEGCSA-N 0 0 320.393 0.839 10 0 DCAERN O=C(c1cccc(Br)n1)N1CCO[C@H](CO)C1 ZINC000224099591 395857181 /nfs/dbraw/zinc/85/71/81/395857181.db2.gz HAWKIUTVHGQCCC-QMMMGPOBSA-N 0 0 301.140 0.677 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)c2cccc(F)c2)c1 ZINC000117987253 395857488 /nfs/dbraw/zinc/85/74/88/395857488.db2.gz OBUDMLAOFGWWPL-UHFFFAOYSA-N 0 0 304.325 0.877 10 0 DCAERN CS(=O)(=O)CCN(C(=O)[C@@H]1CCCCC(=O)N1)C1CC1 ZINC000194404028 395796346 /nfs/dbraw/zinc/79/63/46/395796346.db2.gz BHRYVHRWCIQESV-NSHDSACASA-N 0 0 302.396 0.081 10 0 DCAERN CCNC(=O)CN(CCOc1ccccc1)CC(=O)NCC ZINC000047613796 395797055 /nfs/dbraw/zinc/79/70/55/395797055.db2.gz VWZMQOPXXMFSIS-UHFFFAOYSA-N 0 0 307.394 0.640 10 0 DCAERN CN(C)c1cccc(CCC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000194483910 395798118 /nfs/dbraw/zinc/79/81/18/395798118.db2.gz JKXVVQIYWVAENB-ZDUSSCGKSA-N 0 0 303.362 0.607 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615249 395801328 /nfs/dbraw/zinc/80/13/28/395801328.db2.gz PLQNOEDWKIPWBK-OAHLLOKOSA-N 0 0 300.362 0.933 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194614771 395801734 /nfs/dbraw/zinc/80/17/34/395801734.db2.gz GSPLHWUOSPWTEQ-ZDUSSCGKSA-N 0 0 315.373 0.560 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613772 395801892 /nfs/dbraw/zinc/80/18/92/395801892.db2.gz MLOBEWWDEPDFLO-HNNXBMFYSA-N 0 0 319.405 0.182 10 0 DCAERN Cc1c(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1C ZINC000122478904 395887454 /nfs/dbraw/zinc/88/74/54/395887454.db2.gz DCSAYUGXEGGOQM-UHFFFAOYSA-N 0 0 314.411 0.447 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000237134996 395903578 /nfs/dbraw/zinc/90/35/78/395903578.db2.gz QTOBCMXEVQCQJN-UHFFFAOYSA-N 0 0 312.391 0.766 10 0 DCAERN CC(C)n1nccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000125827890 395906398 /nfs/dbraw/zinc/90/63/98/395906398.db2.gz GOMQYEYDAUNFSL-LBPRGKRZSA-N 0 0 311.386 0.279 10 0 DCAERN NC(=O)Cc1csc(NC(=O)c2cnn3c2CCCC3)n1 ZINC000126085485 395909450 /nfs/dbraw/zinc/90/94/50/395909450.db2.gz HAQLGWDNASAUSF-UHFFFAOYSA-N 0 0 305.363 0.956 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000273263934 395910193 /nfs/dbraw/zinc/91/01/93/395910193.db2.gz LHZMPHMLCHFMQC-GFCCVEGCSA-N 0 0 301.350 0.709 10 0 DCAERN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CC(CO)C1 ZINC000273260628 395910405 /nfs/dbraw/zinc/91/04/05/395910405.db2.gz MWMHFNYABJFRAG-UHFFFAOYSA-N 0 0 323.414 0.790 10 0 DCAERN CCCCOCCNC(=O)CN1CCC(C(=O)N(C)C)CC1 ZINC000055180690 395912866 /nfs/dbraw/zinc/91/28/66/395912866.db2.gz MUMSWEBSUUAVNN-UHFFFAOYSA-N 0 0 313.442 0.720 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000055246999 395914636 /nfs/dbraw/zinc/91/46/36/395914636.db2.gz UEQBBOGENXCMEU-NSHDSACASA-N 0 0 316.354 0.733 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)NCCN2CCCS2(=O)=O)o1 ZINC000127667288 395916249 /nfs/dbraw/zinc/91/62/49/395916249.db2.gz OFZXIRPULUGEBO-LLVKDONJSA-N 0 0 315.395 0.984 10 0 DCAERN CCS(=O)(=O)CCN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000118397940 395861974 /nfs/dbraw/zinc/86/19/74/395861974.db2.gz NNJWKGUGFYCLIQ-CYBMUJFWSA-N 0 0 312.439 0.812 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCCO2)N1CCO[C@@H](CO)C1 ZINC000271393502 395863374 /nfs/dbraw/zinc/86/33/74/395863374.db2.gz HTZAHKKXXNWXJP-GFCCVEGCSA-N 0 0 313.375 0.393 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000052537846 395864884 /nfs/dbraw/zinc/86/48/84/395864884.db2.gz ICSMVYZDKMRGTL-GFCCVEGCSA-N 0 0 324.402 0.370 10 0 DCAERN CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000118979769 395866442 /nfs/dbraw/zinc/86/64/42/395866442.db2.gz NZRZGVNSBNMQJP-MGPQQGTHSA-N 0 0 306.472 0.444 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000228937056 395873294 /nfs/dbraw/zinc/87/32/94/395873294.db2.gz BSINPJHWYIVWBR-RYUDHWBXSA-N 0 0 306.428 0.435 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2COc3ccccc32)co1 ZINC000119820344 395876645 /nfs/dbraw/zinc/87/66/45/395876645.db2.gz IAAZPHGQQXAVIG-SNVBAGLBSA-N 0 0 308.315 0.791 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000053380117 395881724 /nfs/dbraw/zinc/88/17/24/395881724.db2.gz XKALFBFDQCATJV-ZIAGYGMSSA-N 0 0 314.345 0.571 10 0 DCAERN CCc1cc(NC(=O)CN(C)S(=O)(=O)c2cccnc2)n[nH]1 ZINC000120727298 395882011 /nfs/dbraw/zinc/88/20/11/395882011.db2.gz MQOVLFKATWWUCG-UHFFFAOYSA-N 0 0 323.378 0.626 10 0 DCAERN CC(=O)c1cc(C(=O)NCC(=O)NCc2ccco2)n(C)c1 ZINC000053640180 395886898 /nfs/dbraw/zinc/88/68/98/395886898.db2.gz AHHFAISRGRTVAB-UHFFFAOYSA-N 0 0 303.318 0.867 10 0 DCAERN CC(C)[C@@H](NC(=O)NCCNC(=O)c1ccccc1)C(N)=O ZINC000134647360 395933481 /nfs/dbraw/zinc/93/34/81/395933481.db2.gz BAVBQXCVQKPBBA-GFCCVEGCSA-N 0 0 306.366 0.226 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000245715241 395934933 /nfs/dbraw/zinc/93/49/33/395934933.db2.gz GKWAPBGJQWXIQZ-TYNCELHUSA-N 0 0 318.373 0.603 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245887649 395937786 /nfs/dbraw/zinc/93/77/86/395937786.db2.gz KXQVJOVXVAKFLA-CYZMBNFOSA-N 0 0 303.362 0.811 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000135324704 395939687 /nfs/dbraw/zinc/93/96/87/395939687.db2.gz XBYFIZCWKMXGID-GXFFZTMASA-N 0 0 324.402 0.916 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN(C)C[C@H]1CCCO1)c1ccccc1 ZINC000246092057 395941131 /nfs/dbraw/zinc/94/11/31/395941131.db2.gz HTULDRMXDUMAFK-GDBMZVCRSA-N 0 0 319.405 0.701 10 0 DCAERN Cc1ccc([C@H]2CN(CC(=O)N[C@H](C)C(=O)N(C)C)CCO2)o1 ZINC000246093733 395941768 /nfs/dbraw/zinc/94/17/68/395941768.db2.gz CORWVJLANCXAPO-TZMCWYRMSA-N 0 0 323.393 0.554 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)Nc1cc(C)nn1C ZINC000248873262 395999312 /nfs/dbraw/zinc/99/93/12/395999312.db2.gz VMUMGVZFZYLHKD-HUBLWGQQSA-N 0 0 320.393 0.941 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@H](C(N)=O)O1 ZINC000246283871 395946136 /nfs/dbraw/zinc/94/61/36/395946136.db2.gz BAJWUXBRWSAMCQ-LXTVHRRPSA-N 0 0 323.437 0.742 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000246413429 395949522 /nfs/dbraw/zinc/94/95/22/395949522.db2.gz VAQRYNJPMJGFRK-BUWKTABGSA-N 0 0 312.410 0.983 10 0 DCAERN C[C@H](NC(=O)CN1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423516 395950083 /nfs/dbraw/zinc/95/00/83/395950083.db2.gz APANJEDDARVOEZ-GXTWGEPZSA-N 0 0 320.393 0.128 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)NC ZINC000274463157 395950617 /nfs/dbraw/zinc/95/06/17/395950617.db2.gz KSAIIULWGHUHFD-SNVBAGLBSA-N 0 0 300.384 0.192 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C[C@H](O)Cn1cccn1 ZINC000246462023 395950839 /nfs/dbraw/zinc/95/08/39/395950839.db2.gz YZFUCBPAMPCDGB-RYUDHWBXSA-N 0 0 321.406 0.804 10 0 DCAERN CCCS(=O)(=O)CCN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246495916 395951381 /nfs/dbraw/zinc/95/13/81/395951381.db2.gz PPYVBJSLGRINCM-KBPBESRZSA-N 0 0 304.456 0.464 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000138530517 395952017 /nfs/dbraw/zinc/95/20/17/395952017.db2.gz ZBZYTZOVIHVQDI-CQSZACIVSA-N 0 0 321.425 0.341 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1CC ZINC000246664648 395955136 /nfs/dbraw/zinc/95/51/36/395955136.db2.gz HDWKYXUPWOTPTB-KGLIPLIRSA-N 0 0 322.471 0.784 10 0 DCAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000246867118 395959506 /nfs/dbraw/zinc/95/95/06/395959506.db2.gz KWXDOBATWXNEOO-TUAOUCFPSA-N 0 0 314.407 0.930 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)CC2 ZINC000246847290 395959516 /nfs/dbraw/zinc/95/95/16/395959516.db2.gz QNFNRWSQNVDGCX-YNEHKIRRSA-N 0 0 321.425 0.958 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000247116981 395967129 /nfs/dbraw/zinc/96/71/29/395967129.db2.gz QXSMOCWFQHWESP-SNVBAGLBSA-N 0 0 317.415 0.327 10 0 DCAERN CN(CC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)c1cccs1 ZINC000150732002 395972064 /nfs/dbraw/zinc/97/20/64/395972064.db2.gz JBJMWIVEBSDCHX-JTQLQIEISA-N 0 0 309.391 0.557 10 0 DCAERN C[C@@H](NC(=O)NCCN1CCOCC1)c1nnc2n1CCCC2 ZINC000151084980 395978288 /nfs/dbraw/zinc/97/82/88/395978288.db2.gz QLECRBJUHCALRH-GFCCVEGCSA-N 0 0 322.413 0.307 10 0 DCAERN CCN1CCC[C@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000248124267 395982656 /nfs/dbraw/zinc/98/26/56/395982656.db2.gz NSNKLMWEJBCVBO-NWDGAFQWSA-N 0 0 303.428 0.347 10 0 DCAERN O=C1NC[C@H]2CN(C[C@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131902 395983764 /nfs/dbraw/zinc/98/37/64/395983764.db2.gz ONOUEMKBXMAUIB-GWCFXTLKSA-N 0 0 323.780 0.016 10 0 DCAERN COCCCN(C[C@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395997 395986792 /nfs/dbraw/zinc/98/67/92/395986792.db2.gz PLFAYQLOMGWJJL-UWVGGRQHSA-N 0 0 319.345 0.435 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000151499842 395986847 /nfs/dbraw/zinc/98/68/47/395986847.db2.gz PYXCWWOTKLCRGL-GFCCVEGCSA-N 0 0 307.398 0.421 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3nccnc3N)C2)cn1 ZINC000151557939 395988332 /nfs/dbraw/zinc/98/83/32/395988332.db2.gz IZTTWAVCDOZAMP-SNVBAGLBSA-N 0 0 301.354 0.191 10 0 DCAERN COCCCCS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248465795 395989084 /nfs/dbraw/zinc/98/90/84/395989084.db2.gz CTYTVWWSUKGRMR-UONOGXRCSA-N 0 0 320.455 0.395 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000151958762 395997283 /nfs/dbraw/zinc/99/72/83/395997283.db2.gz HZRVLSYQWGGBQO-VHSXEESVSA-N 0 0 300.380 0.341 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000252861289 396024711 /nfs/dbraw/zinc/02/47/11/396024711.db2.gz NKAGANMUJFECAC-LPWJVIDDSA-N 0 0 303.424 0.962 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccncc2)C1 ZINC000153895926 396026885 /nfs/dbraw/zinc/02/68/85/396026885.db2.gz BOLMODVAUCZNKE-LSDHHAIUSA-N 0 0 316.405 0.942 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@H]2CCNC(=O)C2)c2ccccc2)[nH]1 ZINC000153987469 396027811 /nfs/dbraw/zinc/02/78/11/396027811.db2.gz NREIYHJUXWIDFC-JSGCOSHPSA-N 0 0 313.361 0.845 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cnn1C ZINC000154090143 396031300 /nfs/dbraw/zinc/03/13/00/396031300.db2.gz KDGBJGPZCPHJGM-GFCCVEGCSA-N 0 0 302.382 0.861 10 0 DCAERN Cn1cccc1C(=O)N[C@@H]1CN(c2ccncn2)C[C@H]1CO ZINC000257191332 396034709 /nfs/dbraw/zinc/03/47/09/396034709.db2.gz PPQLDOCCUWDHDR-NWDGAFQWSA-N 0 0 301.350 0.042 10 0 DCAERN O=C1CO[C@H]2CN(c3ncccn3)C[C@H]2N1Cc1ccncc1 ZINC000067897370 396038304 /nfs/dbraw/zinc/03/83/04/396038304.db2.gz GDHBAWPPHYHZAA-KGLIPLIRSA-N 0 0 311.345 0.488 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)CNC(=O)NC1CCCCC1 ZINC000068137434 396047583 /nfs/dbraw/zinc/04/75/83/396047583.db2.gz HZWLIHLQQQZVDX-LLVKDONJSA-N 0 0 308.386 0.415 10 0 DCAERN NCc1nc(CN2CCC(NC(=O)c3ccccc3)CC2)no1 ZINC000261616395 396049291 /nfs/dbraw/zinc/04/92/91/396049291.db2.gz CKXSDYDWWPYKKF-UHFFFAOYSA-N 0 0 315.377 0.923 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H]1CCCC[C@@H]1O)CN1CCOCC1 ZINC000155411051 396050883 /nfs/dbraw/zinc/05/08/83/396050883.db2.gz IJWYNTGSTMARLZ-ILXRZTDVSA-N 0 0 313.442 0.805 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155594908 396054701 /nfs/dbraw/zinc/05/47/01/396054701.db2.gz KBHXIRZMEIGKOH-CHWSQXEVSA-N 0 0 304.456 0.998 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000155606283 396054770 /nfs/dbraw/zinc/05/47/70/396054770.db2.gz APBVLRZGYKWKFB-ZDUSSCGKSA-N 0 0 310.419 0.730 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000155636752 396055376 /nfs/dbraw/zinc/05/53/76/396055376.db2.gz OYSROYPKRLCOKJ-KRWDZBQOSA-N 0 0 322.405 0.937 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cc(C(C)C)n(C)n2)C[C@@H](C)O1 ZINC000157909317 396064143 /nfs/dbraw/zinc/06/41/43/396064143.db2.gz CFYGGZCIXXWFMF-MFKMUULPSA-N 0 0 309.366 0.946 10 0 DCAERN COc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)nn1 ZINC000159144139 396065970 /nfs/dbraw/zinc/06/59/70/396065970.db2.gz OJMFOCZGXLLTLQ-UHFFFAOYSA-N 0 0 314.349 0.628 10 0 DCAERN O=C(CN1CCCC1=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159041856 396066090 /nfs/dbraw/zinc/06/60/90/396066090.db2.gz ISBYWDGYXRQZJA-QWHCGFSZSA-N 0 0 322.361 0.553 10 0 DCAERN NC(=O)c1cnn(-c2ncc(I)cn2)c1 ZINC000159239900 396067164 /nfs/dbraw/zinc/06/71/64/396067164.db2.gz UPPAYYKQZGYTCD-UHFFFAOYSA-N 0 0 315.074 0.366 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H]1CCCN1c1nccs1 ZINC000249601422 396010227 /nfs/dbraw/zinc/01/02/27/396010227.db2.gz QOVFVMQGTDFLII-MXWKQRLJSA-N 0 0 308.407 0.753 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CCN1CCO ZINC000249877920 396013172 /nfs/dbraw/zinc/01/31/72/396013172.db2.gz HFXPHLNNGXYFMQ-LAJNKCICSA-N 0 0 310.419 0.563 10 0 DCAERN CSCCN(C)C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000152670132 396013975 /nfs/dbraw/zinc/01/39/75/396013975.db2.gz NTMQNJMJVSGMLE-LLVKDONJSA-N 0 0 308.469 0.868 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1cccc(-c2ccccn2)c1 ZINC000152949471 396018641 /nfs/dbraw/zinc/01/86/41/396018641.db2.gz QCPZJDYGOWJCJR-UHFFFAOYSA-N 0 0 324.340 0.917 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000069139908 396070949 /nfs/dbraw/zinc/07/09/49/396070949.db2.gz YLFLXYXTAPHGDT-RKDXNWHRSA-N 0 0 318.420 0.953 10 0 DCAERN COCc1nc(CCNS(=O)(=O)Cc2ccccc2)no1 ZINC000169768108 396090952 /nfs/dbraw/zinc/09/09/52/396090952.db2.gz BKECRUAEESXBSN-UHFFFAOYSA-N 0 0 311.363 0.878 10 0 DCAERN COCCN1CC[C@H](N2CCN(Cc3ccc[nH]3)CC2)C1=O ZINC000169793248 396094088 /nfs/dbraw/zinc/09/40/88/396094088.db2.gz LDSDNXAVDOJDGW-HNNXBMFYSA-N 0 0 306.410 0.380 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921144 396101385 /nfs/dbraw/zinc/10/13/85/396101385.db2.gz LXIVWPAMDCTXPI-CQSZACIVSA-N 0 0 320.393 0.046 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000171054076 396105249 /nfs/dbraw/zinc/10/52/49/396105249.db2.gz PLBUNWSWSNPLJA-WLTAIBSBSA-N 0 0 304.325 0.770 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CCN2C(=O)CCC2=O)cn1 ZINC000171351717 396115191 /nfs/dbraw/zinc/11/51/91/396115191.db2.gz ZRYRRRXVENSXEE-LBPRGKRZSA-N 0 0 304.350 0.623 10 0 DCAERN CCc1nnc(CN2CCCN(c3cccnn3)CC2)n1C ZINC000171549086 396118447 /nfs/dbraw/zinc/11/84/47/396118447.db2.gz RRKUOEZUZIQFTD-UHFFFAOYSA-N 0 0 301.398 0.880 10 0 DCAERN CCOc1ccnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1 ZINC000171594701 396119486 /nfs/dbraw/zinc/11/94/86/396119486.db2.gz PMFQKWQVEVXWMR-CYBMUJFWSA-N 0 0 321.425 0.912 10 0 DCAERN Cc1cc(NC(=O)CN2CCC[C@H](n3cncn3)C2)n(C)n1 ZINC000171617797 396120665 /nfs/dbraw/zinc/12/06/65/396120665.db2.gz VJGBKRLDOUWBPI-LBPRGKRZSA-N 0 0 303.370 0.596 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000172141085 396128771 /nfs/dbraw/zinc/12/87/71/396128771.db2.gz RSPBVBXBEKDUOR-MNOVXSKESA-N 0 0 304.412 0.279 10 0 DCAERN CCOC(=O)CCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000172764535 396133088 /nfs/dbraw/zinc/13/30/88/396133088.db2.gz FUVLNABGOMJLRZ-GFCCVEGCSA-N 0 0 308.382 0.848 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccn[nH]2)ncn1 ZINC000173426103 396135377 /nfs/dbraw/zinc/13/53/77/396135377.db2.gz FQHMEZNJKXIRFA-JTQLQIEISA-N 0 0 301.354 0.640 10 0 DCAERN CN(CC(=O)N1CC[NH2+]CC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000261915952 396078785 /nfs/dbraw/zinc/07/87/85/396078785.db2.gz GXOFTYAQCNBTFP-UHFFFAOYSA-N 0 0 321.406 0.261 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261942401 396081811 /nfs/dbraw/zinc/08/18/11/396081811.db2.gz KPKCCPCPXDAHIM-KGLIPLIRSA-N 0 0 320.418 0.476 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)cn1 ZINC000162949081 396084944 /nfs/dbraw/zinc/08/49/44/396084944.db2.gz ZJSNVATUPLDZFN-ZIAGYGMSSA-N 0 0 312.329 0.960 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@H](Cn2cccn2)C1 ZINC000263228097 396207775 /nfs/dbraw/zinc/20/77/75/396207775.db2.gz NBODRWNARKBHRK-QWRGUYRKSA-N 0 0 300.309 0.108 10 0 DCAERN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000263257040 396209168 /nfs/dbraw/zinc/20/91/68/396209168.db2.gz QOTDZKKFBYTHRC-GFCCVEGCSA-N 0 0 319.396 0.800 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)s1 ZINC000279009823 396146462 /nfs/dbraw/zinc/14/64/62/396146462.db2.gz UFXKWLQDUFBOAK-AWEZNQCLSA-N 0 0 308.359 0.887 10 0 DCAERN COc1nc(NC[C@H]2CN(C)CCO2)ncc1Br ZINC000176239902 396152409 /nfs/dbraw/zinc/15/24/09/396152409.db2.gz QKHQGXXWHBRMJX-QMMMGPOBSA-N 0 0 317.187 0.990 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000176293824 396153788 /nfs/dbraw/zinc/15/37/88/396153788.db2.gz KXSYXVCDUASRLY-GXSJLCMTSA-N 0 0 317.349 0.949 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000176498571 396156854 /nfs/dbraw/zinc/15/68/54/396156854.db2.gz VIWCDXGHQPYDRE-HNNXBMFYSA-N 0 0 319.405 0.849 10 0 DCAERN O=C(NC[C@@H]1CSCCS1)N[C@H]1CCc2ncnn2C1 ZINC000176534039 396156862 /nfs/dbraw/zinc/15/68/62/396156862.db2.gz CWYLBKJPSPVZJZ-VHSXEESVSA-N 0 0 313.452 0.741 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000177287372 396170881 /nfs/dbraw/zinc/17/08/81/396170881.db2.gz FTSSBXYNITVIBX-NSHDSACASA-N 0 0 306.366 0.147 10 0 DCAERN O=C(CSC[C@H](O)CO)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000177420923 396175064 /nfs/dbraw/zinc/17/50/64/396175064.db2.gz TZEKLJWVQBSBHO-DZGCQCFKSA-N 0 0 324.446 0.716 10 0 DCAERN Cn1cc(N2CCN(Cc3nnc(C4CC4)n3C)CC2=O)cn1 ZINC000177431544 396175099 /nfs/dbraw/zinc/17/50/99/396175099.db2.gz QESXXOSNIADCCN-UHFFFAOYSA-N 0 0 315.381 0.275 10 0 DCAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177625368 396180129 /nfs/dbraw/zinc/18/01/29/396180129.db2.gz WFDDKODFOYFFOJ-VIFPVBQESA-N 0 0 321.287 0.626 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1ccnn1)[C@H](C)CO ZINC000177787447 396183782 /nfs/dbraw/zinc/18/37/82/396183782.db2.gz OTIDDKVFFZWQDG-GHMZBOCLSA-N 0 0 317.349 0.339 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000177800980 396184123 /nfs/dbraw/zinc/18/41/23/396184123.db2.gz NNARCWMGTMNMEN-NWDGAFQWSA-N 0 0 316.361 0.944 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCc3cc(C)no3)CCO2)[nH]1 ZINC000178034086 396188468 /nfs/dbraw/zinc/18/84/68/396188468.db2.gz USRWWVURHIEDKN-LLVKDONJSA-N 0 0 320.353 0.947 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000075977093 396191023 /nfs/dbraw/zinc/19/10/23/396191023.db2.gz LSTHEVHMKPQIPK-DGCLKSJQSA-N 0 0 311.407 0.814 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263024368 396198582 /nfs/dbraw/zinc/19/85/82/396198582.db2.gz RFCZDUFEXDJZRS-DGCLKSJQSA-N 0 0 314.336 0.491 10 0 DCAERN COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263072381 396200551 /nfs/dbraw/zinc/20/05/51/396200551.db2.gz WQVRHLFHMOPDBH-GHMZBOCLSA-N 0 0 319.352 0.079 10 0 DCAERN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263084261 396200794 /nfs/dbraw/zinc/20/07/94/396200794.db2.gz XTJHOQYLPXTNCA-SNVBAGLBSA-N 0 0 319.333 0.994 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(F)(F)CN3)C2)cn1 ZINC000263157135 396203365 /nfs/dbraw/zinc/20/33/65/396203365.db2.gz DNZIFAIJBYMVLI-ZYHUDNBSSA-N 0 0 313.352 0.502 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCC(N2CCCC2=O)CC1 ZINC000263311328 396212585 /nfs/dbraw/zinc/21/25/85/396212585.db2.gz YRBYMEBQQQXSBP-LLVKDONJSA-N 0 0 301.337 0.597 10 0 DCAERN CCOCCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000180983694 396236454 /nfs/dbraw/zinc/23/64/54/396236454.db2.gz IGLIJYRHEBXKLZ-UHFFFAOYSA-N 0 0 317.411 0.432 10 0 DCAERN COc1ccc(Cc2noc(CN3CC(=O)NC3=O)n2)cc1 ZINC000077890251 396236536 /nfs/dbraw/zinc/23/65/36/396236536.db2.gz RZTOFNGLSPGTIR-UHFFFAOYSA-N 0 0 302.290 0.721 10 0 DCAERN CC[C@@](C)(O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181228746 396238016 /nfs/dbraw/zinc/23/80/16/396238016.db2.gz KKCIGZKWGJAPDF-CYBMUJFWSA-N 0 0 317.411 0.166 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H](C)C[S@@](C)=O)cnc12 ZINC000181700280 396241420 /nfs/dbraw/zinc/24/14/20/396241420.db2.gz AJMBQIYKLMTHPO-LADRHHBVSA-N 0 0 307.375 0.500 10 0 DCAERN COc1cc(F)ccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181776603 396242347 /nfs/dbraw/zinc/24/23/47/396242347.db2.gz ZUXKBBSZNSFHDW-UHFFFAOYSA-N 0 0 321.312 0.571 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1ccnn1C ZINC000182087487 396245803 /nfs/dbraw/zinc/24/58/03/396245803.db2.gz KJDZXIQSLLUBHA-UHFFFAOYSA-N 0 0 300.322 0.640 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@H](CO)C1 ZINC000182092503 396246059 /nfs/dbraw/zinc/24/60/59/396246059.db2.gz SYPNFMJWKMOTTD-JTQLQIEISA-N 0 0 304.350 0.821 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)Nc1ccc(=O)n(C)c1 ZINC000182326300 396250078 /nfs/dbraw/zinc/25/00/78/396250078.db2.gz UTYPXZACASGQOT-UHFFFAOYSA-N 0 0 313.317 0.928 10 0 DCAERN O=C(NCCCOC[C@H]1CCOC1)NCCCn1ccnn1 ZINC000182747059 396253493 /nfs/dbraw/zinc/25/34/93/396253493.db2.gz SIOQCVSVKJXVPV-CYBMUJFWSA-N 0 0 311.386 0.411 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000078805074 396254563 /nfs/dbraw/zinc/25/45/63/396254563.db2.gz ZCZHKFCFZIXXMH-GFCCVEGCSA-N 0 0 316.423 0.423 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)NCCCn1ccnn1 ZINC000182907268 396256431 /nfs/dbraw/zinc/25/64/31/396256431.db2.gz GDBDPMAGQGUSEU-UHFFFAOYSA-N 0 0 305.313 0.354 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000282145877 396266800 /nfs/dbraw/zinc/26/68/00/396266800.db2.gz HZUWJHHBJHIMGL-GXTWGEPZSA-N 0 0 319.409 0.972 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC(=O)N1C ZINC000282139728 396266901 /nfs/dbraw/zinc/26/69/01/396266901.db2.gz IAKXXVSSOJYATM-MNOVXSKESA-N 0 0 306.366 0.227 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc(C)c1F ZINC000183365549 396267858 /nfs/dbraw/zinc/26/78/58/396267858.db2.gz HBMZPPJQUGHWBZ-NSHDSACASA-N 0 0 316.354 0.317 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)NCCCn2ccnn2)CC1=O ZINC000183516088 396270964 /nfs/dbraw/zinc/27/09/64/396270964.db2.gz NYSRAOUPWMVKAZ-LLVKDONJSA-N 0 0 308.386 0.367 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000264372747 396274790 /nfs/dbraw/zinc/27/47/90/396274790.db2.gz AUPWPKLBVFNZHB-VIFPVBQESA-N 0 0 324.358 0.322 10 0 DCAERN COc1cccc([C@H]2C[C@@H](O)CN2CCNS(C)(=O)=O)c1 ZINC000282242610 396275029 /nfs/dbraw/zinc/27/50/29/396275029.db2.gz QBFXROGEZYMSKT-TZMCWYRMSA-N 0 0 314.407 0.352 10 0 DCAERN CN1C[C@H](NC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1=O ZINC000282257191 396275302 /nfs/dbraw/zinc/27/53/02/396275302.db2.gz HHGKLCVTBHOPMT-MGPQQGTHSA-N 0 0 321.352 0.874 10 0 DCAERN C[C@H](NC(=O)NCC(=O)NCC1CC1)[C@H](O)Cc1ccccc1 ZINC000183798849 396275413 /nfs/dbraw/zinc/27/54/13/396275413.db2.gz BJCNYWSGKYXWQK-SWLSCSKDSA-N 0 0 319.405 0.804 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282312377 396279929 /nfs/dbraw/zinc/27/99/29/396279929.db2.gz IZJMOVUKOLAFTL-LLVKDONJSA-N 0 0 303.362 0.972 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000077607099 396227102 /nfs/dbraw/zinc/22/71/02/396227102.db2.gz KMWKBLXMNPVAFQ-UHFFFAOYSA-N 0 0 311.407 0.500 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3nncs3)[C@@H]2C1 ZINC000179494198 396227448 /nfs/dbraw/zinc/22/74/48/396227448.db2.gz KBVXKWHSETVNBZ-MXWKQRLJSA-N 0 0 312.395 0.745 10 0 DCAERN COCCCOCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000179677417 396229247 /nfs/dbraw/zinc/22/92/47/396229247.db2.gz WGHUVYYFGIRWFT-LBPRGKRZSA-N 0 0 311.386 0.287 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000077808319 396233401 /nfs/dbraw/zinc/23/34/01/396233401.db2.gz HYJAJBBHVLJWGL-STQMWFEESA-N 0 0 322.409 0.399 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000184996880 396313358 /nfs/dbraw/zinc/31/33/58/396313358.db2.gz FPNIFLXAEZUKSM-UHFFFAOYSA-N 0 0 305.313 0.710 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)NCCCn1ccnn1 ZINC000185064447 396315918 /nfs/dbraw/zinc/31/59/18/396315918.db2.gz SSBFROVNBMVYCY-UHFFFAOYSA-N 0 0 307.398 0.871 10 0 DCAERN C[C@H](NC(=O)NCC(F)(F)CO)c1nnc2n1CCCC2 ZINC000185081588 396316666 /nfs/dbraw/zinc/31/66/66/396316666.db2.gz IUGFFRIZIFPABI-QMMMGPOBSA-N 0 0 303.313 0.602 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)CC(=O)N1C ZINC000282355930 396283573 /nfs/dbraw/zinc/28/35/73/396283573.db2.gz MBCXWWWBLRVBFL-LLVKDONJSA-N 0 0 303.366 0.380 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184070659 396283914 /nfs/dbraw/zinc/28/39/14/396283914.db2.gz WNLCLUHMELCNAX-ZJUUUORDSA-N 0 0 308.359 0.732 10 0 DCAERN CN1C[C@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184078955 396284338 /nfs/dbraw/zinc/28/43/38/396284338.db2.gz YJQANZYDWFKELB-SNVBAGLBSA-N 0 0 307.375 0.402 10 0 DCAERN COCCOCCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184101767 396285149 /nfs/dbraw/zinc/28/51/49/396285149.db2.gz LAGUYWWBMMFNIB-UHFFFAOYSA-N 0 0 312.391 0.976 10 0 DCAERN COc1cc(N2CCN(CC(=O)NCC(C)C)CC2)ncn1 ZINC000184092127 396285473 /nfs/dbraw/zinc/28/54/73/396285473.db2.gz KUBMUDSLYPIOLN-UHFFFAOYSA-N 0 0 307.398 0.379 10 0 DCAERN Cc1sc2[nH]c(CCC(=O)N3CC(CO)C3)nc(=O)c2c1C ZINC000184215255 396288109 /nfs/dbraw/zinc/28/81/09/396288109.db2.gz JLGRAHJABNSJPH-UHFFFAOYSA-N 0 0 321.402 0.985 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)s1 ZINC000184301800 396290400 /nfs/dbraw/zinc/29/04/00/396290400.db2.gz UZINFIPGKSEMML-GFCCVEGCSA-N 0 0 318.420 0.940 10 0 DCAERN COc1cccc2c1nc(NC(=O)[C@H](C)S(C)(=O)=O)n2C ZINC000184452422 396296295 /nfs/dbraw/zinc/29/62/95/396296295.db2.gz YXNOXMREKQSDQM-QMMMGPOBSA-N 0 0 311.363 0.954 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000184545875 396299035 /nfs/dbraw/zinc/29/90/35/396299035.db2.gz BHABLEYXPVATLZ-GFCCVEGCSA-N 0 0 306.366 0.361 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000184752601 396304521 /nfs/dbraw/zinc/30/45/21/396304521.db2.gz HIVFPQMRNBOWCK-UHFFFAOYSA-N 0 0 317.389 0.344 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000185452468 396328306 /nfs/dbraw/zinc/32/83/06/396328306.db2.gz HGNRDKWOWHDJCI-KGLIPLIRSA-N 0 0 312.410 0.612 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000185465603 396328227 /nfs/dbraw/zinc/32/82/27/396328227.db2.gz QSROEOWGKCFIGW-LBPRGKRZSA-N 0 0 305.444 0.101 10 0 DCAERN CN(C)c1noc(CN2CCC(c3ccnn3CCO)CC2)n1 ZINC000185255090 396322917 /nfs/dbraw/zinc/32/29/17/396322917.db2.gz NNCUYUIWOJNLOA-UHFFFAOYSA-N 0 0 320.397 0.704 10 0 DCAERN CCC1(CC)CN(CCNS(=O)(=O)CC)CC[S@]1=O ZINC000185242251 396322982 /nfs/dbraw/zinc/32/29/82/396322982.db2.gz QBGASHKLVUFPHA-GOSISDBHSA-N 0 0 310.485 0.549 10 0 DCAERN CN(C)c1noc(CN2CCN(Cc3cccnc3)CC2)n1 ZINC000185278608 396324107 /nfs/dbraw/zinc/32/41/07/396324107.db2.gz XQSDCSVVQUIUIO-UHFFFAOYSA-N 0 0 302.382 0.848 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCS1(=O)=O ZINC000265686176 396336783 /nfs/dbraw/zinc/33/67/83/396336783.db2.gz LLXZGMNKWHCUJR-VIFPVBQESA-N 0 0 324.358 0.277 10 0 DCAERN O=C(c1cccc(-n2cccn2)n1)N1CCO[C@]2(CCOC2)C1 ZINC000186067405 396340603 /nfs/dbraw/zinc/34/06/03/396340603.db2.gz ZYODZEFLLACMKY-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1Cc1nnnn1-c1ccccc1 ZINC000185953914 396337838 /nfs/dbraw/zinc/33/78/38/396337838.db2.gz RPBHESCQLNDUMQ-OAHLLOKOSA-N 0 0 300.366 0.892 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000185983610 396338615 /nfs/dbraw/zinc/33/86/15/396338615.db2.gz GVQHHHUKNVFRAK-ZDUSSCGKSA-N 0 0 322.390 0.555 10 0 DCAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@@]2(CCOC2)C1 ZINC000186077271 396340483 /nfs/dbraw/zinc/34/04/83/396340483.db2.gz SLCWAALOBXJFBL-GUYCJALGSA-N 0 0 322.405 0.795 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccon2)C1 ZINC000185764049 396334442 /nfs/dbraw/zinc/33/44/42/396334442.db2.gz UHWPZTSKHWQVFV-JTQLQIEISA-N 0 0 308.338 0.520 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000185861146 396335699 /nfs/dbraw/zinc/33/56/99/396335699.db2.gz CCSCNLIGMBKYCE-BLDJZWNYSA-N 0 0 323.397 0.886 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000186320956 396348058 /nfs/dbraw/zinc/34/80/58/396348058.db2.gz UBJPUFUKJGPNHG-LLVKDONJSA-N 0 0 324.406 0.085 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CCN1CC(F)F ZINC000186270565 396346844 /nfs/dbraw/zinc/34/68/44/396346844.db2.gz XOQCETISLSYLJU-VIFPVBQESA-N 0 0 316.308 0.801 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000285792009 396354422 /nfs/dbraw/zinc/35/44/22/396354422.db2.gz FLDWPOUPVAZPJP-HUUCEWRRSA-N 0 0 320.393 0.512 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)nc(C(F)(F)F)n1 ZINC000187003119 396361916 /nfs/dbraw/zinc/36/19/16/396361916.db2.gz DDNHMFYAMGTCGP-LURJTMIESA-N 0 0 316.239 0.339 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000187159474 396364311 /nfs/dbraw/zinc/36/43/11/396364311.db2.gz SLIOFWKUYYCILZ-INIZCTEOSA-N 0 0 304.346 0.678 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187256599 396365659 /nfs/dbraw/zinc/36/56/59/396365659.db2.gz CGWAMWYXLFPBJS-ZDUSSCGKSA-N 0 0 307.398 0.135 10 0 DCAERN CCCCOCCNC(=O)CN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187261022 396366032 /nfs/dbraw/zinc/36/60/32/396366032.db2.gz DBPXAMUJGKTJGE-UHFFFAOYSA-N 0 0 323.441 0.773 10 0 DCAERN Cn1nc(C(=O)N2CCCN(c3ccccn3)CC2)ccc1=O ZINC000186440438 396349991 /nfs/dbraw/zinc/34/99/91/396349991.db2.gz NPVUTCJZHNHJBK-UHFFFAOYSA-N 0 0 313.361 0.528 10 0 DCAERN CS(=O)(=O)CCN(C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)C1CC1 ZINC000188643509 396384274 /nfs/dbraw/zinc/38/42/74/396384274.db2.gz CFRKFEZHEROQSF-UPJWGTAASA-N 0 0 316.423 0.773 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000188903115 396388431 /nfs/dbraw/zinc/38/84/31/396388431.db2.gz PGIGCNQKOMPAQO-NSHDSACASA-N 0 0 324.402 0.831 10 0 DCAERN CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1F ZINC000188938032 396389238 /nfs/dbraw/zinc/38/92/38/396389238.db2.gz MPXVSPGIPLZWJO-TZMCWYRMSA-N 0 0 324.352 0.822 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2nnc(C3CC3)o2)C[C@H](C)O1 ZINC000189067341 396390693 /nfs/dbraw/zinc/39/06/93/396390693.db2.gz RQWBSHCSELQTEM-IUCAKERBSA-N 0 0 316.383 0.391 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000189124815 396391000 /nfs/dbraw/zinc/39/10/00/396391000.db2.gz QKPMPQBZXZUPGX-NSHDSACASA-N 0 0 306.366 0.111 10 0 DCAERN COc1ccnc(NC2CCN(C(=O)c3noc(C)n3)CC2)n1 ZINC000189237906 396391732 /nfs/dbraw/zinc/39/17/32/396391732.db2.gz LJHWFRYKGQQFRB-UHFFFAOYSA-N 0 0 318.337 0.893 10 0 DCAERN O=C(COc1ccccc1O)N1CC(NC(=O)C2CCC2)C1 ZINC000189225183 396391901 /nfs/dbraw/zinc/39/19/01/396391901.db2.gz XOVQOQKHUNMDSR-UHFFFAOYSA-N 0 0 304.346 0.898 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCNS(=O)(=O)c1ccccc1 ZINC000189320514 396393140 /nfs/dbraw/zinc/39/31/40/396393140.db2.gz IBKZCGWAHSOHHO-GFCCVEGCSA-N 0 0 311.407 0.175 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)CN(C)S(C)(=O)=O ZINC000189592284 396397175 /nfs/dbraw/zinc/39/71/75/396397175.db2.gz HTLOKNHXAUKKDY-GFCCVEGCSA-N 0 0 312.391 0.826 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCOC3CCOCC3)CC2)n[nH]1 ZINC000189734723 396398340 /nfs/dbraw/zinc/39/83/40/396398340.db2.gz VFVMWCIWJBXTQW-UHFFFAOYSA-N 0 0 322.409 0.952 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N3CCCN(C)C(=O)C3)cc2)n1 ZINC000189751330 396398353 /nfs/dbraw/zinc/39/83/53/396398353.db2.gz XNNXAPIYAYTZLO-UHFFFAOYSA-N 0 0 313.361 0.786 10 0 DCAERN Cc1cc(N2CCN(C(=O)COCc3nc(C)no3)CC2)n[nH]1 ZINC000189771559 396398988 /nfs/dbraw/zinc/39/89/88/396398988.db2.gz GFGSFZLZEWQIFD-UHFFFAOYSA-N 0 0 320.353 0.275 10 0 DCAERN Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1S(C)(=O)=O ZINC000189799362 396399397 /nfs/dbraw/zinc/39/93/97/396399397.db2.gz CMNLFOJOOCBSRI-UHFFFAOYSA-N 0 0 324.402 0.703 10 0 DCAERN CN1CCCN(C(=O)CSC[C@H]2CCCCO2)CC1=O ZINC000189807292 396399520 /nfs/dbraw/zinc/39/95/20/396399520.db2.gz GXLQWMLIHRYVNG-GFCCVEGCSA-N 0 0 300.424 0.979 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)n[nH]1 ZINC000190544053 396407567 /nfs/dbraw/zinc/40/75/67/396407567.db2.gz IHWZQPMSRAYCNL-NWDGAFQWSA-N 0 0 314.411 0.347 10 0 DCAERN COc1ccnc(CN2CCS(=O)(=O)[C@@H](C)C2)c1OC ZINC000190587888 396408509 /nfs/dbraw/zinc/40/85/09/396408509.db2.gz WFRWWNKNHMWERX-JTQLQIEISA-N 0 0 300.380 0.718 10 0 DCAERN CCc1nc(C2CCN(CC(=O)NCCCOC)CC2)n[nH]1 ZINC000190701599 396410163 /nfs/dbraw/zinc/41/01/63/396410163.db2.gz KXAGDEJNWVKHAO-UHFFFAOYSA-N 0 0 309.414 0.699 10 0 DCAERN COCCN1CCCN([C@H](C)C(=O)Nc2cc(C)no2)CC1=O ZINC000190772876 396411319 /nfs/dbraw/zinc/41/13/19/396411319.db2.gz FSSWSAKDDKEOFQ-GFCCVEGCSA-N 0 0 324.381 0.491 10 0 DCAERN CCCN(CCC)C(=O)CN1CCCN(CCOC)C(=O)C1 ZINC000190803018 396411707 /nfs/dbraw/zinc/41/17/07/396411707.db2.gz GYKJWAUGWVQLEO-UHFFFAOYSA-N 0 0 313.442 0.816 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NCC(F)(F)F ZINC000191173578 396416599 /nfs/dbraw/zinc/41/65/99/396416599.db2.gz ALGWMPOSZKBDSS-KKZNHRDASA-N 0 0 308.300 0.938 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191464228 396419863 /nfs/dbraw/zinc/41/98/63/396419863.db2.gz NRFUQJQJYNHWHA-MNOVXSKESA-N 0 0 320.397 0.595 10 0 DCAERN CCN1CN(C[C@H](O)COCc2ccc(OC)cc2)CC1=O ZINC000191530387 396421224 /nfs/dbraw/zinc/42/12/24/396421224.db2.gz UPHNLAYWJGXXTP-AWEZNQCLSA-N 0 0 308.378 0.694 10 0 DCAERN CCOCCOCC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191717934 396423552 /nfs/dbraw/zinc/42/35/52/396423552.db2.gz DQHHJDQDPQUCDV-CQSZACIVSA-N 0 0 311.382 0.856 10 0 DCAERN O=C(CCc1ccncn1)N1CCCN(c2cccnn2)CC1 ZINC000192349103 396430540 /nfs/dbraw/zinc/43/05/40/396430540.db2.gz HOPBOYXFRPGSPC-UHFFFAOYSA-N 0 0 312.377 0.938 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000192586577 396432882 /nfs/dbraw/zinc/43/28/82/396432882.db2.gz GBCPMZRZKCBSEV-OLZOCXBDSA-N 0 0 323.418 0.652 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000192765875 396437213 /nfs/dbraw/zinc/43/72/13/396437213.db2.gz DQQFDMCQMOUJLC-SFYZADRCSA-N 0 0 323.315 0.474 10 0 DCAERN O=C(NCC1(CCO)CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000188029736 396377617 /nfs/dbraw/zinc/37/76/17/396377617.db2.gz QJQMMQVIBIBCOY-LBPRGKRZSA-N 0 0 306.362 0.907 10 0 DCAERN O=C(N[C@@H]1CCCOCC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000515322599 396502598 /nfs/dbraw/zinc/50/25/98/396502598.db2.gz UMAYHVJTPXYDOD-ZIAGYGMSSA-N 0 0 309.410 0.368 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCCCCO)[C@@H]1c1cccnc1 ZINC000193280198 396448261 /nfs/dbraw/zinc/44/82/61/396448261.db2.gz PWDMAMJQSBKUIS-ZFWWWQNUSA-N 0 0 305.378 0.880 10 0 DCAERN CCn1ncnc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000193337833 396449504 /nfs/dbraw/zinc/44/95/04/396449504.db2.gz WCCIOMNEVRMOBQ-UHFFFAOYSA-N 0 0 303.414 0.739 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000288971362 396451589 /nfs/dbraw/zinc/45/15/89/396451589.db2.gz QVVIULXEPQVKTB-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN O=S(=O)(c1cnc2ccsc2c1)N1CCO[C@@H](CO)C1 ZINC000269881920 396453528 /nfs/dbraw/zinc/45/35/28/396453528.db2.gz WHAPBTOILWIBJL-SECBINFHSA-N 0 0 314.388 0.678 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371783501 396476708 /nfs/dbraw/zinc/47/67/08/396476708.db2.gz JOCCMMIANJZVPA-AWEZNQCLSA-N 0 0 318.377 0.595 10 0 DCAERN Cc1ccnc(C2CCN(CC(=O)N3CCNC3=O)CC2)n1 ZINC000371834459 396478126 /nfs/dbraw/zinc/47/81/26/396478126.db2.gz KAZANVLMXOAKTO-UHFFFAOYSA-N 0 0 303.366 0.516 10 0 DCAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000371870766 396479405 /nfs/dbraw/zinc/47/94/05/396479405.db2.gz STVXAECXLRATLP-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H]2C(C)(C)O)CC1=O ZINC000371945822 396480469 /nfs/dbraw/zinc/48/04/69/396480469.db2.gz BKCCVYVTCDQWLL-NDBYEHHHSA-N 0 0 309.410 0.941 10 0 DCAERN Cn1cc(OCC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000579991593 396482799 /nfs/dbraw/zinc/48/27/99/396482799.db2.gz WRRLYOCOZRPKQN-LBPRGKRZSA-N 0 0 306.366 0.270 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000291415728 396489199 /nfs/dbraw/zinc/48/91/99/396489199.db2.gz WKPGSAPMHHPLQU-UWVGGRQHSA-N 0 0 306.366 0.872 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000372161138 396493623 /nfs/dbraw/zinc/49/36/23/396493623.db2.gz SZHHYCBPCWHXDM-NWDGAFQWSA-N 0 0 304.412 0.991 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1C[C@@H](F)C[C@@H]1CO ZINC000372509908 396523333 /nfs/dbraw/zinc/52/33/33/396523333.db2.gz ZBRNUIKRSIBXJL-CMPLNLGQSA-N 0 0 301.362 0.550 10 0 DCAERN CCN(C(=O)C(=O)Nc1ccc2nccn2c1)[C@@H]1CCNC1=O ZINC000581230095 396535910 /nfs/dbraw/zinc/53/59/10/396535910.db2.gz YNLGRRLVSGONAF-LLVKDONJSA-N 0 0 315.333 0.010 10 0 DCAERN CCOC(=O)c1csc(CN(C)CC(C)(CO)CO)n1 ZINC000292498189 396553343 /nfs/dbraw/zinc/55/33/43/396553343.db2.gz CADLAOBFKYGAJT-UHFFFAOYSA-N 0 0 302.396 0.743 10 0 DCAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373142293 396569568 /nfs/dbraw/zinc/56/95/68/396569568.db2.gz AOZQYRMRJZWZBD-NSHDSACASA-N 0 0 324.768 0.217 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H]1COCCN1C ZINC000529931066 396571212 /nfs/dbraw/zinc/57/12/12/396571212.db2.gz ATRDZGADNUMVDX-HOCLYGCPSA-N 0 0 317.389 0.411 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ncnc3c2ncn3C2CC2)C1 ZINC000292855739 396572730 /nfs/dbraw/zinc/57/27/30/396572730.db2.gz WLNZZWINXCKYAL-VIFPVBQESA-N 0 0 322.394 0.289 10 0 DCAERN CC(=O)c1cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)on1 ZINC000581675359 396575125 /nfs/dbraw/zinc/57/51/25/396575125.db2.gz PNVUJYLIBUWGFD-GFCCVEGCSA-N 0 0 315.395 0.733 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000374197302 396646405 /nfs/dbraw/zinc/64/64/05/396646405.db2.gz GERRCVSXERHJAN-ZRJCITRHSA-N 0 0 322.409 0.306 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCCC[C@H]2CO)CC1=O ZINC000374209978 396647075 /nfs/dbraw/zinc/64/70/75/396647075.db2.gz DRJJXKFIYZJZPW-BJJPWKGXSA-N 0 0 309.410 0.846 10 0 DCAERN CCOC(=O)C1=NN=C2C=CC(Br)=CN2[C@H]1O ZINC000585656081 396648438 /nfs/dbraw/zinc/64/84/38/396648438.db2.gz DRSNOWJFPGLUBI-VIFPVBQESA-N 0 0 300.112 0.744 10 0 DCAERN CC(C)CO[C@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585734126 396651302 /nfs/dbraw/zinc/65/13/02/396651302.db2.gz RAIYDGCMEXDLKG-GFCCVEGCSA-N 0 0 306.428 0.589 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccc(F)c1 ZINC000585737596 396651998 /nfs/dbraw/zinc/65/19/98/396651998.db2.gz CQSQGZKLAHQVPK-UHFFFAOYSA-N 0 0 300.355 0.981 10 0 DCAERN COCc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)ccc1F ZINC000373539494 396597916 /nfs/dbraw/zinc/59/79/16/396597916.db2.gz YOGACIPBISZOSW-UKRRQHHQSA-N 0 0 324.352 0.570 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCC[C@@H]1C ZINC000373637498 396604267 /nfs/dbraw/zinc/60/42/67/396604267.db2.gz ZHJFMBJZHQSOTC-LOWDOPEQSA-N 0 0 316.423 0.989 10 0 DCAERN COCCN(C(=O)c1cc(C)[nH]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000595462667 396612058 /nfs/dbraw/zinc/61/20/58/396612058.db2.gz STAPNTVGOYZTRX-GFCCVEGCSA-N 0 0 314.407 0.907 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000373793789 396614335 /nfs/dbraw/zinc/61/43/35/396614335.db2.gz WWPVPZABWWHMNS-HNNXBMFYSA-N 0 0 322.365 0.155 10 0 DCAERN NC(=O)N[C@@H](CO)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373926757 396624670 /nfs/dbraw/zinc/62/46/70/396624670.db2.gz WSQLPOMFQYMMHX-DLOVCJGASA-N 0 0 311.769 0.731 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000303536590 396725383 /nfs/dbraw/zinc/72/53/83/396725383.db2.gz IQSQYCDRQCVHIO-OLZOCXBDSA-N 0 0 313.427 0.892 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCOc2cccc(F)c2C1 ZINC000374502621 396669179 /nfs/dbraw/zinc/66/91/79/396669179.db2.gz GUGVAOSOEBSJLY-JTQLQIEISA-N 0 0 310.325 0.698 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375312017 396726489 /nfs/dbraw/zinc/72/64/89/396726489.db2.gz YCQJHEUXGFPTJU-OAHLLOKOSA-N 0 0 317.389 0.425 10 0 DCAERN CC[C@H](C)[C@@H]1NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047196 396706206 /nfs/dbraw/zinc/70/62/06/396706206.db2.gz CBXBOHNTOATKNP-DRZSPHRISA-N 0 0 323.393 0.733 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000589233859 396709499 /nfs/dbraw/zinc/70/94/99/396709499.db2.gz JUYZDNNNXHYCFD-QMMMGPOBSA-N 0 0 317.392 0.066 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375604633 396779229 /nfs/dbraw/zinc/77/92/29/396779229.db2.gz WJHFOMQTSIBFMQ-LLVKDONJSA-N 0 0 320.349 0.122 10 0 DCAERN NC(=O)C1(C(=O)N2CCO[C@H](COc3ccccc3)C2)CCC1 ZINC000563804777 396779962 /nfs/dbraw/zinc/77/99/62/396779962.db2.gz VGFVFHYCNLKNHT-AWEZNQCLSA-N 0 0 318.373 0.948 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000375660474 396790974 /nfs/dbraw/zinc/79/09/74/396790974.db2.gz NSGFVZVGPMGPLA-JCIQBVFBSA-N 0 0 303.380 0.140 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000304680407 396733114 /nfs/dbraw/zinc/73/31/14/396733114.db2.gz YZPMRAYEZWPPNM-AAEUAGOBSA-N 0 0 308.403 0.875 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1nc(C(N)=O)co1)C1CCCC1 ZINC000617490444 396736811 /nfs/dbraw/zinc/73/68/11/396736811.db2.gz IPIGETAULYCFSS-GFCCVEGCSA-N 0 0 308.338 0.085 10 0 DCAERN C[C@H](CNc1ncc(Br)s1)S(N)(=O)=O ZINC000306218678 396754887 /nfs/dbraw/zinc/75/48/87/396754887.db2.gz LNVBWFDRXKHIKN-SCSAIBSYSA-N 0 0 300.203 0.995 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000634239590 396819016 /nfs/dbraw/zinc/81/90/16/396819016.db2.gz PZNWVMHXBPOXPB-SDDRHHMPSA-N 0 0 322.327 0.874 10 0 DCAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Cn2ccnn2)C1 ZINC000328627166 396825222 /nfs/dbraw/zinc/82/52/22/396825222.db2.gz MNCHUCZGURTHCW-GFCCVEGCSA-N 0 0 316.365 0.419 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328621408 396825238 /nfs/dbraw/zinc/82/52/38/396825238.db2.gz AKGVJPLVEKMHME-QMMMGPOBSA-N 0 0 306.330 0.073 10 0 DCAERN O=C(CN1CCOCC1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000375818215 396826573 /nfs/dbraw/zinc/82/65/73/396826573.db2.gz XCQITGJLHBJPRF-SFHVURJKSA-N 0 0 318.417 0.915 10 0 DCAERN COc1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)cn1 ZINC000328647672 396829014 /nfs/dbraw/zinc/82/90/14/396829014.db2.gz UEBWAFXTTUHCQS-JTQLQIEISA-N 0 0 303.322 0.909 10 0 DCAERN Cc1ncc(NC(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000590825665 396845150 /nfs/dbraw/zinc/84/51/50/396845150.db2.gz CIEPOPGDYBRTAV-UHFFFAOYSA-N 0 0 313.383 0.332 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@H](C(F)F)CC2)nn1 ZINC000634161660 396799548 /nfs/dbraw/zinc/79/95/48/396799548.db2.gz GKWHISRBPWGJTC-SNVBAGLBSA-N 0 0 302.281 0.363 10 0 DCAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000375721992 396804169 /nfs/dbraw/zinc/80/41/69/396804169.db2.gz HUBYQNWBAYRJRO-ZDUSSCGKSA-N 0 0 324.410 0.259 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000375771978 396815916 /nfs/dbraw/zinc/81/59/16/396815916.db2.gz FWNOLHSTPZADSB-GRDNDAEWSA-N 0 0 318.373 0.638 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629924985 396887707 /nfs/dbraw/zinc/88/77/07/396887707.db2.gz OOUXWOKTFIHVFK-CJNGLKHVSA-N 0 0 307.394 0.515 10 0 DCAERN CO[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC000634695647 396898744 /nfs/dbraw/zinc/89/87/44/396898744.db2.gz XNZMPVOQTNQMJR-ZYHUDNBSSA-N 0 0 305.396 0.375 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc3c(c2)CCN(C)C3=O)C1 ZINC000618088629 396902183 /nfs/dbraw/zinc/90/21/83/396902183.db2.gz PAOURSMHTSUGTD-UHFFFAOYSA-N 0 0 301.346 0.732 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)c2ccc[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618143188 396909685 /nfs/dbraw/zinc/90/96/85/396909685.db2.gz FMNCHRIFSGDYTA-GJZGRUSLSA-N 0 0 317.393 0.940 10 0 DCAERN CNC(=O)NC1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333405837 396924188 /nfs/dbraw/zinc/92/41/88/396924188.db2.gz QOBNJOLZIULONP-NTZNESFSSA-N 0 0 315.439 0.898 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N(CCO)C1CCOCC1 ZINC000333236198 396920999 /nfs/dbraw/zinc/92/09/99/396920999.db2.gz ZDHZQXSIZNVBCF-MBNYWOFBSA-N 0 0 303.424 0.978 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)c1cccc2c1OCO2 ZINC000618217280 396928125 /nfs/dbraw/zinc/92/81/25/396928125.db2.gz HYNQFTLIQDQNCO-UHFFFAOYSA-N 0 0 300.318 0.926 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@](F)(CO)C1 ZINC000376443735 396931044 /nfs/dbraw/zinc/93/10/44/396931044.db2.gz WCOOIKMGPAHOHV-YGRLFVJLSA-N 0 0 310.329 0.086 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000625598217 396942703 /nfs/dbraw/zinc/94/27/03/396942703.db2.gz QQUOAFGYKJIAGD-WDEREUQCSA-N 0 0 309.746 0.907 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCc2cccc3c2OCO3)C1 ZINC000376647301 396958427 /nfs/dbraw/zinc/95/84/27/396958427.db2.gz VWQWXAFJCLOTON-JTQLQIEISA-N 0 0 305.334 0.822 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000571704018 396980904 /nfs/dbraw/zinc/98/09/04/396980904.db2.gz PDBFTNLMAUVZAR-AOOOYVTPSA-N 0 0 311.363 0.325 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCN1S(C)(=O)=O ZINC000618676962 397010238 /nfs/dbraw/zinc/01/02/38/397010238.db2.gz YMDAEBHVMAUZCO-NDBYEHHHSA-N 0 0 300.424 0.915 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(C)(=O)=O ZINC000618676521 397010259 /nfs/dbraw/zinc/01/02/59/397010259.db2.gz PZOCMLWAXJGBEQ-NXEZZACHSA-N 0 0 310.366 0.914 10 0 DCAERN CC(C)n1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cn1 ZINC000618677658 397011343 /nfs/dbraw/zinc/01/13/43/397011343.db2.gz TUFXTKZHGSVZRT-LLVKDONJSA-N 0 0 314.411 0.570 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(C)c1CC ZINC000618754419 397022951 /nfs/dbraw/zinc/02/29/51/397022951.db2.gz RCQLQJYURVJZNQ-ZJUUUORDSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(C)(F)F ZINC000618753522 397023136 /nfs/dbraw/zinc/02/31/36/397023136.db2.gz XUBLQUGLWZQPKC-BDAKNGLRSA-N 0 0 308.325 0.994 10 0 DCAERN Cn1cnc2c1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2 ZINC000377485500 397086631 /nfs/dbraw/zinc/08/66/31/397086631.db2.gz BTHNFDFGRDMYGK-UHFFFAOYSA-N 0 0 324.340 0.601 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)c3ccccc32)[C@@H](C)C1 ZINC000626138076 397086998 /nfs/dbraw/zinc/08/69/98/397086998.db2.gz ICQCGJGDYSGCKV-NHYWBVRUSA-N 0 0 315.373 0.593 10 0 DCAERN c1ncn(CCc2cn(C[C@@H]3COc4ccccc4O3)nn2)n1 ZINC000630602239 397059940 /nfs/dbraw/zinc/05/99/40/397059940.db2.gz FJTIZNPANBHKDJ-CYBMUJFWSA-N 0 0 312.333 0.952 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000377679284 397125201 /nfs/dbraw/zinc/12/52/01/397125201.db2.gz NKHZEGUTCACVHZ-VXGBXAGGSA-N 0 0 305.382 0.282 10 0 DCAERN CN(C)c1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cn1 ZINC000626281004 397128221 /nfs/dbraw/zinc/12/82/21/397128221.db2.gz ALDSCPHYSHMOGG-VXGBXAGGSA-N 0 0 317.353 0.189 10 0 DCAERN c1nc2n(n1)[C@@H](CSc1nnnn1C[C@@H]1CCCO1)CC2 ZINC000631006399 397155468 /nfs/dbraw/zinc/15/54/68/397155468.db2.gz ASUXFZRTISUTKB-ZJUUUORDSA-N 0 0 307.383 0.723 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000626420521 397158193 /nfs/dbraw/zinc/15/81/93/397158193.db2.gz HYJBDLNHZXLKNB-WFASDCNBSA-N 0 0 316.357 0.720 10 0 DCAERN Cc1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c(C)n1 ZINC000626432929 397160563 /nfs/dbraw/zinc/16/05/63/397160563.db2.gz NIIPWQRXZAAYMF-CHWSQXEVSA-N 0 0 302.338 0.740 10 0 DCAERN NC(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c[nH]1 ZINC000597832719 397116298 /nfs/dbraw/zinc/11/62/98/397116298.db2.gz YWUSJCIIUZXTQA-GFCCVEGCSA-N 0 0 312.329 0.649 10 0 DCAERN CCN1CC[C@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1=O ZINC000619825129 397197716 /nfs/dbraw/zinc/19/77/16/397197716.db2.gz IBLUAIMXASGDIT-ZSEKCTLFSA-N 0 0 308.403 0.916 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000378238534 397217148 /nfs/dbraw/zinc/21/71/48/397217148.db2.gz YICLVXWKHZSTPL-FRRDWIJNSA-N 0 0 306.428 0.435 10 0 DCAERN NC(=O)NCC(=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000620191396 397250050 /nfs/dbraw/zinc/25/00/50/397250050.db2.gz RHVOXJMHIBGPHG-UHFFFAOYSA-N 0 0 313.361 0.552 10 0 DCAERN Cc1nc2n(c1C)CCN(CC(=O)N1CCC[C@H](C(N)=O)C1)C2 ZINC000364729675 397240111 /nfs/dbraw/zinc/24/01/11/397240111.db2.gz YAGPGQXLGJVVSR-ZDUSSCGKSA-N 0 0 319.409 0.039 10 0 DCAERN COC(=O)C1(C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000613331070 397243966 /nfs/dbraw/zinc/24/39/66/397243966.db2.gz CDARMQJIPBWMCG-LBPRGKRZSA-N 0 0 322.365 0.076 10 0 DCAERN N#Cc1ccc(S(=O)(=O)NC2COCCOC2)cc1Cl ZINC000380292871 397269524 /nfs/dbraw/zinc/26/95/24/397269524.db2.gz FVPQOCMWHKADLW-UHFFFAOYSA-N 0 0 316.766 0.905 10 0 DCAERN CCNC(=O)N1CC[C@H](N2C(=O)[C@H]3CCCCCN3C2=O)C1 ZINC000365354318 397270179 /nfs/dbraw/zinc/27/01/79/397270179.db2.gz JRUZNDJAJGFGEB-NWDGAFQWSA-N 0 0 308.382 0.997 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365793094 397317510 /nfs/dbraw/zinc/31/75/10/397317510.db2.gz DOOQYGXHVHRIRT-NWDGAFQWSA-N 0 0 317.455 0.399 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1 ZINC000396725225 397312123 /nfs/dbraw/zinc/31/21/23/397312123.db2.gz YCURNBITXUANPD-MRVPVSSYSA-N 0 0 304.318 0.912 10 0 DCAERN O=C(Cn1ccc2ccccc2c1=O)N1CC(n2ccnn2)C1 ZINC000365759605 397312634 /nfs/dbraw/zinc/31/26/34/397312634.db2.gz VBKNVPRTPOEKNX-UHFFFAOYSA-N 0 0 309.329 0.677 10 0 DCAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CC(n2ccnn2)C1 ZINC000378545594 397255486 /nfs/dbraw/zinc/25/54/86/397255486.db2.gz UTOYJYNNIQBESU-UHFFFAOYSA-N 0 0 317.324 0.159 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC000613413680 397256473 /nfs/dbraw/zinc/25/64/73/397256473.db2.gz OYGKJWKARWASEI-ZDUSSCGKSA-N 0 0 309.366 0.093 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000407968415 397340826 /nfs/dbraw/zinc/34/08/26/397340826.db2.gz SWIKVINXZZTHNW-TZMCWYRMSA-N 0 0 312.414 0.017 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC(=O)N1C ZINC000407973594 397342760 /nfs/dbraw/zinc/34/27/60/397342760.db2.gz YRRPRRPBYIUSPZ-OLZOCXBDSA-N 0 0 323.437 0.960 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407992777 397343723 /nfs/dbraw/zinc/34/37/23/397343723.db2.gz ULWGGJMBGIFKAK-IUCAKERBSA-N 0 0 323.315 0.752 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041291 397345374 /nfs/dbraw/zinc/34/53/74/397345374.db2.gz GAKLGZSBDVWAJO-RQJABVFESA-N 0 0 305.440 0.529 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189766 397349308 /nfs/dbraw/zinc/34/93/08/397349308.db2.gz PTVZQTKLMUIBRP-QPUJVOFHSA-N 0 0 323.315 0.752 10 0 DCAERN C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389268 397355534 /nfs/dbraw/zinc/35/55/34/397355534.db2.gz ZYFPLWYBSGJURD-WPRPVWTQSA-N 0 0 307.803 0.998 10 0 DCAERN C[C@@]1(O)CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366515382 397369846 /nfs/dbraw/zinc/36/98/46/397369846.db2.gz DQIGZESGONKLCL-NQBHXWOUSA-N 0 0 304.412 0.509 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000621315445 397372412 /nfs/dbraw/zinc/37/24/12/397372412.db2.gz JBOYJHIZYAAQNE-WDEREUQCSA-N 0 0 310.366 0.962 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)C1 ZINC000614092081 397381794 /nfs/dbraw/zinc/38/17/94/397381794.db2.gz CMDATVHDFXETQW-DZKIICNBSA-N 0 0 311.401 0.890 10 0 DCAERN CN1C(=O)CO[C@@H](C(=O)N2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000368940063 397430039 /nfs/dbraw/zinc/43/00/39/397430039.db2.gz UMARJTGQIPZUPX-BPLDGKMQSA-N 0 0 304.346 0.178 10 0 DCAERN O=C(CCC(=O)N1CCC(O)CC1)NCCOCC1CCC1 ZINC000578383594 397430367 /nfs/dbraw/zinc/43/03/67/397430367.db2.gz SIFHIYIHZYIVBZ-UHFFFAOYSA-N 0 0 312.410 0.683 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599460316 397447304 /nfs/dbraw/zinc/44/73/04/397447304.db2.gz VZKLNOXRFXNFTC-WYFGTUCQSA-N 0 0 308.400 0.128 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N2CCOCC[C@H]2C)c1 ZINC000367644640 397406668 /nfs/dbraw/zinc/40/66/68/397406668.db2.gz LPAYJVSDLFYCNN-CYBMUJFWSA-N 0 0 320.389 0.991 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000621692468 397416692 /nfs/dbraw/zinc/41/66/92/397416692.db2.gz FBTSQVPMTMPLLK-UHFFFAOYSA-N 0 0 306.366 0.860 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCOCC1 ZINC000487138453 397466808 /nfs/dbraw/zinc/46/68/08/397466808.db2.gz NECBNJQDVFPKPM-GHMZBOCLSA-N 0 0 314.382 0.376 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000578675262 397470338 /nfs/dbraw/zinc/47/03/38/397470338.db2.gz XXPDDMOSKQDKLP-CHWSQXEVSA-N 0 0 309.410 0.223 10 0 DCAERN NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cn2cccnc2n1 ZINC000593946112 397485103 /nfs/dbraw/zinc/48/51/03/397485103.db2.gz FFXZFZVFINZEQC-AWEZNQCLSA-N 0 0 321.340 0.954 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000488310204 397488595 /nfs/dbraw/zinc/48/85/95/397488595.db2.gz GNGLAVKHNFWLRJ-WOPDTQHZSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnccc1C ZINC000488300355 397488984 /nfs/dbraw/zinc/48/89/84/397488984.db2.gz ULDUMXRTNDKZFN-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccncc1F ZINC000488159324 397486402 /nfs/dbraw/zinc/48/64/02/397486402.db2.gz HGIXBSAAQLUMPW-BDAKNGLRSA-N 0 0 311.313 0.407 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCN1CCCC1=O ZINC000602833227 397497705 /nfs/dbraw/zinc/49/77/05/397497705.db2.gz JGEDPDBTTFIOEH-CYBMUJFWSA-N 0 0 317.389 0.886 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCc1ccccn1 ZINC000578959433 397504985 /nfs/dbraw/zinc/50/49/85/397504985.db2.gz BXCZJXLZKIOOBA-MRXNPFEDSA-N 0 0 301.346 0.353 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)ncn1 ZINC000579623257 397585222 /nfs/dbraw/zinc/58/52/22/397585222.db2.gz LRCCADZSDMWDFP-JTQLQIEISA-N 0 0 314.349 0.073 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)CC[S@@](=O)C1 ZINC000579791048 397592698 /nfs/dbraw/zinc/59/26/98/397592698.db2.gz XWPKLHVARCCCLZ-MWBIGIAMSA-N 0 0 305.440 0.243 10 0 DCAERN CCn1cc(C(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000603864004 397624069 /nfs/dbraw/zinc/62/40/69/397624069.db2.gz WIUNEOHKBXSAKY-UHFFFAOYSA-N 0 0 300.384 0.058 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000608220032 397721439 /nfs/dbraw/zinc/72/14/39/397721439.db2.gz UFZQKXQFANOJPD-HRDYMLBCSA-N 0 0 307.375 0.586 10 0 DCAERN CC1(C)[C@@H]2CN(C(=O)NCCCN3CCCS3(=O)=O)C[C@@H]21 ZINC000608421328 397729592 /nfs/dbraw/zinc/72/95/92/397729592.db2.gz WMBRCUIQKSIJEQ-TXEJJXNPSA-N 0 0 315.439 0.709 10 0 DCAERN Cc1nc(CNC(=O)[C@H](C)Sc2nnnn2C2CC2)no1 ZINC000605369946 397663979 /nfs/dbraw/zinc/66/39/79/397663979.db2.gz CCCHBYKEASOYNC-LURJTMIESA-N 0 0 309.355 0.496 10 0 DCAERN COC[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)C(C)C ZINC000608445377 397731490 /nfs/dbraw/zinc/73/14/90/397731490.db2.gz LZEJRYJRDIHJQJ-GFCCVEGCSA-N 0 0 321.443 0.382 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N(C)CC1CC1 ZINC000606455776 397681636 /nfs/dbraw/zinc/68/16/36/397681636.db2.gz WXIZTFDEAZPXRC-UHFFFAOYSA-N 0 0 300.428 0.756 10 0 DCAERN Cc1nncn1CCNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000607032575 397694039 /nfs/dbraw/zinc/69/40/39/397694039.db2.gz QNAIVTPEMFMBBT-UHFFFAOYSA-N 0 0 308.773 0.888 10 0 DCAERN CCC(=O)N[C@H]1CCCN(c2cncc(-n3cncn3)n2)C1 ZINC000608081449 397715775 /nfs/dbraw/zinc/71/57/75/397715775.db2.gz XOPIOEYMKKEWLL-NSHDSACASA-N 0 0 301.354 0.552 10 0 DCAERN COCCn1cc(C(=O)N2CCC[C@H](C(=O)OC)C2)ccc1=O ZINC000608906511 397758921 /nfs/dbraw/zinc/75/89/21/397758921.db2.gz BEXTYYIBFNNCMS-ZDUSSCGKSA-N 0 0 322.361 0.520 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000609889969 397796746 /nfs/dbraw/zinc/79/67/46/397796746.db2.gz ZZGHANAQEUAYIC-JTQLQIEISA-N 0 0 300.380 0.462 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000194066048 296570510 /nfs/dbraw/zinc/57/05/10/296570510.db2.gz VCWJTKYEKOBCEO-BRXULGCHSA-N 0 0 309.410 0.848 10 0 DCAERN CS(=O)(=O)NCC1CCN(c2ncnc3c2CCC3)CC1 ZINC000557691906 288429208 /nfs/dbraw/zinc/42/92/08/288429208.db2.gz GGFUAUSSSVCZAH-UHFFFAOYSA-N 0 0 310.423 0.731 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000366179517 304352253 /nfs/dbraw/zinc/35/22/53/304352253.db2.gz PUEQRGRAHYWZSA-ZIAGYGMSSA-N 0 0 315.373 0.602 10 0 DCAERN CCOCCS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173897126 286117396 /nfs/dbraw/zinc/11/73/96/286117396.db2.gz RRDMZRXQVXAZNZ-CQSZACIVSA-N 0 0 320.455 0.539 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CC[S@@](C)=O)C12CCOCC2 ZINC000248588390 286255111 /nfs/dbraw/zinc/25/51/11/286255111.db2.gz XIAYNALQKGGBJZ-FKANQGBASA-N 0 0 303.424 0.845 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000408226218 286544028 /nfs/dbraw/zinc/54/40/28/286544028.db2.gz NTYUMGRHZAZRTH-KBPBESRZSA-N 0 0 320.389 0.777 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCSCC1 ZINC000328937636 298067380 /nfs/dbraw/zinc/06/73/80/298067380.db2.gz JVDPDDKWUCVLED-WDEREUQCSA-N 0 0 306.453 0.069 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cnn(C)c1C ZINC000175943231 286652646 /nfs/dbraw/zinc/65/26/46/286652646.db2.gz WMLDAAGIMFWKDB-VIFPVBQESA-N 0 0 302.400 0.187 10 0 DCAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nncn1C)c1ccccc1 ZINC000047633194 158004069 /nfs/dbraw/zinc/00/40/69/158004069.db2.gz DRBAZGKSPAZFFX-QWRGUYRKSA-N 0 0 322.390 0.855 10 0 DCAERN Cc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000047828108 158004474 /nfs/dbraw/zinc/00/44/74/158004474.db2.gz LOEWRLXDVBGFLT-UHFFFAOYSA-N 0 0 319.386 0.896 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047953088 158006138 /nfs/dbraw/zinc/00/61/38/158006138.db2.gz MMODUOZELPJNOF-MXWKQRLJSA-N 0 0 308.400 0.081 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000049087805 158009681 /nfs/dbraw/zinc/00/96/81/158009681.db2.gz XDQKJLQWXTWWKG-SECBINFHSA-N 0 0 300.322 0.516 10 0 DCAERN CSCCC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000058142736 158025610 /nfs/dbraw/zinc/02/56/10/158025610.db2.gz CJZCOFVXKYVXAU-UHFFFAOYSA-N 0 0 300.424 0.837 10 0 DCAERN Cn1c(SC[C@@H](O)CN2CCOCC2)nnc1-c1ccco1 ZINC000066239199 158035611 /nfs/dbraw/zinc/03/56/11/158035611.db2.gz SUDPNCHPUWOVGT-NSHDSACASA-N 0 0 324.406 0.860 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCCN3CCOCC3)s2)cn1 ZINC000066370317 158036468 /nfs/dbraw/zinc/03/64/68/158036468.db2.gz BAUDEJXTAIBXCI-UHFFFAOYSA-N 0 0 321.406 0.606 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000066918678 158037512 /nfs/dbraw/zinc/03/75/12/158037512.db2.gz MRERLAWDCWFDLX-VIFPVBQESA-N 0 0 302.327 0.794 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc(Br)cc1 ZINC000070079137 158045984 /nfs/dbraw/zinc/04/59/84/158045984.db2.gz ZISBPWCGWYTOIX-UHFFFAOYSA-N 0 0 312.123 0.939 10 0 DCAERN C[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(=O)N(C)C ZINC000069966566 158047035 /nfs/dbraw/zinc/04/70/35/158047035.db2.gz QJFNCFSXHOHSIP-QMMMGPOBSA-N 0 0 307.379 0.750 10 0 DCAERN COCCCN(CC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071121391 158049304 /nfs/dbraw/zinc/04/93/04/158049304.db2.gz GQYBRGQPIWSEKL-GFCCVEGCSA-N 0 0 320.455 0.427 10 0 DCAERN CC(=O)NCCNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000073443996 158055358 /nfs/dbraw/zinc/05/53/58/158055358.db2.gz PAZDFYIMXUVCSA-AWEZNQCLSA-N 0 0 312.414 0.019 10 0 DCAERN CC(C)[C@@H](C)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000073384974 158056116 /nfs/dbraw/zinc/05/61/16/158056116.db2.gz IKRFHNVRPCFAJO-CQSZACIVSA-N 0 0 310.442 0.981 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)CNC(=O)COc1ccccc1 ZINC000077139231 158066420 /nfs/dbraw/zinc/06/64/20/158066420.db2.gz DKWYYBDQSHKYGA-STQMWFEESA-N 0 0 306.362 0.817 10 0 DCAERN Cc1ccc([C@@H]2C[C@H]2C(=O)NCCN2C(=O)CNC2=O)s1 ZINC000078693205 158073808 /nfs/dbraw/zinc/07/38/08/158073808.db2.gz OACLXBPMBDNSTI-NXEZZACHSA-N 0 0 307.375 0.828 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N(Cc2ccncc2)C2CC2)C1=O ZINC000078618849 158074097 /nfs/dbraw/zinc/07/40/97/158074097.db2.gz OVNGMIQTPQSTAL-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000079042134 158076218 /nfs/dbraw/zinc/07/62/18/158076218.db2.gz YZMBEGMHRNIRNB-VXGBXAGGSA-N 0 0 308.382 0.060 10 0 DCAERN CCc1cnc(CCNC(=O)CN2CCC(=O)NC2=O)s1 ZINC000081203775 158082973 /nfs/dbraw/zinc/08/29/73/158082973.db2.gz BDXVTSQRRJLBAE-UHFFFAOYSA-N 0 0 310.379 0.306 10 0 DCAERN CCCN(CC(=O)OCC)S(=O)(=O)c1cn(CC)cn1 ZINC000081685254 158085529 /nfs/dbraw/zinc/08/55/29/158085529.db2.gz QCUSIHXYZFFEFG-UHFFFAOYSA-N 0 0 303.384 0.867 10 0 DCAERN O=C(Cn1cnnn1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000087500098 158092694 /nfs/dbraw/zinc/09/26/94/158092694.db2.gz AFRFEZIPMZBYIM-VIFPVBQESA-N 0 0 308.292 0.346 10 0 DCAERN CCN(CC(F)(F)F)S(=O)(=O)N(C)CCC(=O)OC ZINC000088771739 158094682 /nfs/dbraw/zinc/09/46/82/158094682.db2.gz JXFJQSKVFRXHOF-UHFFFAOYSA-N 0 0 306.306 0.610 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000089165402 158095644 /nfs/dbraw/zinc/09/56/44/158095644.db2.gz VOWXCKVAIDNMIU-YPMHNXCESA-N 0 0 313.375 0.913 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)Cn2cnc(C3CCC3)cc2=O)C1 ZINC000089702662 158098115 /nfs/dbraw/zinc/09/81/15/158098115.db2.gz SIPNORHVWHSZMQ-LBPRGKRZSA-N 0 0 318.377 0.235 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000091227150 158108344 /nfs/dbraw/zinc/10/83/44/158108344.db2.gz FXKVXXQGTUVDMT-ZDUSSCGKSA-N 0 0 323.397 0.868 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000091781055 158109676 /nfs/dbraw/zinc/10/96/76/158109676.db2.gz KVWTYPVRTPHLIO-AWEZNQCLSA-N 0 0 314.345 0.128 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)C2CCOCC2)C1 ZINC000092569785 158115235 /nfs/dbraw/zinc/11/52/35/158115235.db2.gz HSNJHJWWZZNVOT-YPMHNXCESA-N 0 0 318.439 0.589 10 0 DCAERN CC(C)CCSCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000097727738 158125978 /nfs/dbraw/zinc/12/59/78/158125978.db2.gz STCMKHVJAOSQJK-ZDUSSCGKSA-N 0 0 304.456 0.575 10 0 DCAERN CCn1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)ccc1=O ZINC000098052236 158126035 /nfs/dbraw/zinc/12/60/35/158126035.db2.gz WAGKZYWIVFCPOF-UHFFFAOYSA-N 0 0 321.358 0.768 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCC[C@@H](NC(C)=O)C2)CCCC1 ZINC000098099160 158126613 /nfs/dbraw/zinc/12/66/13/158126613.db2.gz QOLXFGBINVGUBO-CYBMUJFWSA-N 0 0 324.425 0.745 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC(c3cc[nH]n3)CC2)n1 ZINC000103473462 158128660 /nfs/dbraw/zinc/12/86/60/158128660.db2.gz NMRIWOSYXASSAM-UHFFFAOYSA-N 0 0 302.386 0.623 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000105880186 158131190 /nfs/dbraw/zinc/13/11/90/158131190.db2.gz OAWGOQXKMNAIEU-SNVBAGLBSA-N 0 0 317.315 0.895 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCCCC1 ZINC000110703694 158138425 /nfs/dbraw/zinc/13/84/25/158138425.db2.gz NALJNGQOTVLNMB-ZDUSSCGKSA-N 0 0 309.410 0.810 10 0 DCAERN CN1CCN(C(=O)CC2CCN([C@@H]3CCOC3=O)CC2)CC1 ZINC000109789194 158138969 /nfs/dbraw/zinc/13/89/69/158138969.db2.gz NPVKKDUUKYFWPM-CQSZACIVSA-N 0 0 309.410 0.178 10 0 DCAERN COCCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000111330086 158140690 /nfs/dbraw/zinc/14/06/90/158140690.db2.gz AAGFTIKKXQPCHN-ZDUSSCGKSA-N 0 0 320.455 0.538 10 0 DCAERN CCn1cc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000112707593 158143446 /nfs/dbraw/zinc/14/34/46/158143446.db2.gz OCRNSGASSZHWGW-UHFFFAOYSA-N 0 0 315.443 0.217 10 0 DCAERN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000112676267 158143921 /nfs/dbraw/zinc/14/39/21/158143921.db2.gz LFYXJBRWKUXOQE-NWDGAFQWSA-N 0 0 309.410 0.523 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113228678 158145608 /nfs/dbraw/zinc/14/56/08/158145608.db2.gz RGGZXQNIHYGJPK-QWHCGFSZSA-N 0 0 302.440 0.752 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650586 158149082 /nfs/dbraw/zinc/14/90/82/158149082.db2.gz WZPZONVOHUNERP-ONGXEEELSA-N 0 0 312.391 0.800 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)NCc2cccnc2N(C)C)C1=O ZINC000114783734 158156417 /nfs/dbraw/zinc/15/64/17/158156417.db2.gz FTMBRNMDPUPNCP-ZDUSSCGKSA-N 0 0 319.409 0.956 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000116559372 158166240 /nfs/dbraw/zinc/16/62/40/158166240.db2.gz SZCMAFHADXVTAM-STQMWFEESA-N 0 0 324.425 0.601 10 0 DCAERN CCOCCN1CCN(C(=O)CS(=O)(=O)CC)C[C@@H]1CC ZINC000116766820 158167248 /nfs/dbraw/zinc/16/72/48/158167248.db2.gz AQEUPFBJRVOZBI-ZDUSSCGKSA-N 0 0 320.455 0.380 10 0 DCAERN CN(C)C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCO1 ZINC000116791385 158167373 /nfs/dbraw/zinc/16/73/73/158167373.db2.gz QJQPGIHNYHPSTQ-GFCCVEGCSA-N 0 0 318.439 0.133 10 0 DCAERN CC[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCN1CCOC ZINC000117299725 158170080 /nfs/dbraw/zinc/17/00/80/158170080.db2.gz AOFQPUOUIDZZHC-LBPRGKRZSA-N 0 0 310.398 0.164 10 0 DCAERN Cc1cnn(CCNC(=O)Cn2nnc(-c3ccccc3)n2)c1 ZINC000117813684 158173507 /nfs/dbraw/zinc/17/35/07/158173507.db2.gz DIBHTGHFDIXCKQ-UHFFFAOYSA-N 0 0 311.349 0.661 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000117951603 158174435 /nfs/dbraw/zinc/17/44/35/158174435.db2.gz MLNKHOFDFBEIMI-UHFFFAOYSA-N 0 0 323.378 0.661 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117857125 158174916 /nfs/dbraw/zinc/17/49/16/158174916.db2.gz VNBDXKADHLXLCA-UHFFFAOYSA-N 0 0 321.402 0.616 10 0 DCAERN O=C(CC1(O)CCCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000118763721 158178854 /nfs/dbraw/zinc/17/88/54/158178854.db2.gz VRAKIVMEYNHQQS-AWEZNQCLSA-N 0 0 324.421 0.779 10 0 DCAERN Cn1nccc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120000945 158192000 /nfs/dbraw/zinc/19/20/00/158192000.db2.gz JJECKOOCFAUCSZ-LLVKDONJSA-N 0 0 312.395 0.060 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCC(n2cncn2)CC1 ZINC000120325225 158196700 /nfs/dbraw/zinc/19/67/00/158196700.db2.gz FAKSFVUXAMRCGG-UHFFFAOYSA-N 0 0 309.370 0.968 10 0 DCAERN Cc1csc([C@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)n1 ZINC000120913264 158205182 /nfs/dbraw/zinc/20/51/82/158205182.db2.gz RNUUPDGBXQLLID-CYBMUJFWSA-N 0 0 324.450 0.599 10 0 DCAERN COCCCNC(=O)CN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000121443269 158209868 /nfs/dbraw/zinc/20/98/68/158209868.db2.gz FZDNCLIVDRIGPP-UHFFFAOYSA-N 0 0 319.409 0.931 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000121354593 158210744 /nfs/dbraw/zinc/21/07/44/158210744.db2.gz CUXCDSOLVZLXBA-WDEREUQCSA-N 0 0 324.406 0.085 10 0 DCAERN Cc1nnc([C@H]2CN(CCCS(=O)(=O)C(C)C)CCO2)[nH]1 ZINC000121559592 158211850 /nfs/dbraw/zinc/21/18/50/158211850.db2.gz MSYCDHRWQZEKMA-GFCCVEGCSA-N 0 0 316.427 0.700 10 0 DCAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCNC(=O)CC1 ZINC000121633683 158212663 /nfs/dbraw/zinc/21/26/63/158212663.db2.gz JJUIPOSQNREASA-UHFFFAOYSA-N 0 0 305.309 0.673 10 0 DCAERN C[C@H](O)CN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000121832750 158215502 /nfs/dbraw/zinc/21/55/02/158215502.db2.gz FLEAXIMIODXKGW-VIFPVBQESA-N 0 0 304.306 0.514 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000122327299 158219862 /nfs/dbraw/zinc/21/98/62/158219862.db2.gz YJQRHHRGIHEEIB-QWHCGFSZSA-N 0 0 319.409 0.967 10 0 DCAERN CCCS(=O)(=O)Nc1ccc(C(=O)N2CC(CO)C2)cc1 ZINC000122573499 158221629 /nfs/dbraw/zinc/22/16/29/158221629.db2.gz IJMCTXMKWMUHIB-UHFFFAOYSA-N 0 0 312.391 0.903 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000123183232 158227357 /nfs/dbraw/zinc/22/73/57/158227357.db2.gz DPJWXNKKYAGQNY-SECBINFHSA-N 0 0 318.782 0.767 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)COc2ccccc2)no1 ZINC000124475932 158241838 /nfs/dbraw/zinc/24/18/38/158241838.db2.gz UASXZFHRZMJDRR-UHFFFAOYSA-N 0 0 304.306 0.189 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000125144864 158250139 /nfs/dbraw/zinc/25/01/39/158250139.db2.gz SAHNLKHFVOQJJT-PWSUYJOCSA-N 0 0 323.372 0.753 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCC(C)CC2)n(C)n1 ZINC000125668255 158257835 /nfs/dbraw/zinc/25/78/35/158257835.db2.gz NKOBQOVISOQROR-UHFFFAOYSA-N 0 0 308.382 0.806 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)N1CC(=O)Nc2ccccc21 ZINC000126050504 158262633 /nfs/dbraw/zinc/26/26/33/158262633.db2.gz YAOWPZAADITYAO-UHFFFAOYSA-N 0 0 314.389 0.752 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCO2)o1 ZINC000127411390 158272937 /nfs/dbraw/zinc/27/29/37/158272937.db2.gz DDCFVBVQCBEPIL-PWSUYJOCSA-N 0 0 316.379 0.426 10 0 DCAERN CCOC(=O)NCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127467758 158273974 /nfs/dbraw/zinc/27/39/74/158273974.db2.gz FRGISHHOYPMWNU-GFCCVEGCSA-N 0 0 309.370 0.653 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000127613059 158274025 /nfs/dbraw/zinc/27/40/25/158274025.db2.gz MZQZRHPHCLWOSG-CPUCHLNUSA-N 0 0 324.421 0.635 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)[nH]1 ZINC000127582818 158274185 /nfs/dbraw/zinc/27/41/85/158274185.db2.gz LTWMBZYOYVDIEC-ZDUSSCGKSA-N 0 0 316.365 0.860 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000128913058 158285389 /nfs/dbraw/zinc/28/53/89/158285389.db2.gz FCLCUZOSLFQFSA-NSHDSACASA-N 0 0 313.361 0.971 10 0 DCAERN COCCNC(=O)CNS(=O)(=O)c1c(F)cccc1Cl ZINC000131036697 158298873 /nfs/dbraw/zinc/29/88/73/158298873.db2.gz JQIUBNBGFVBGNG-UHFFFAOYSA-N 0 0 324.761 0.520 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CCN1C(=O)CCC1=O ZINC000131423524 158303252 /nfs/dbraw/zinc/30/32/52/158303252.db2.gz FFQDTBZDUGYTGU-UHFFFAOYSA-N 0 0 306.366 0.694 10 0 DCAERN CCOc1cncc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000131797358 158305233 /nfs/dbraw/zinc/30/52/33/158305233.db2.gz YNQVOMPURLGVIW-UHFFFAOYSA-N 0 0 302.382 0.931 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000135295078 158335174 /nfs/dbraw/zinc/33/51/74/158335174.db2.gz PHDBCVWJSWCFFT-CMPLNLGQSA-N 0 0 304.412 0.342 10 0 DCAERN COC(=O)[C@H](O)C1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000135392223 158336104 /nfs/dbraw/zinc/33/61/04/158336104.db2.gz BLFBPCUUHQGPKJ-LLVKDONJSA-N 0 0 314.411 0.350 10 0 DCAERN COC(=O)NCCCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135390274 158336744 /nfs/dbraw/zinc/33/67/44/158336744.db2.gz GUBZIYKSLBBARU-JTQLQIEISA-N 0 0 309.370 0.928 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN2CCOCC23CCC3)C1 ZINC000135539196 158337367 /nfs/dbraw/zinc/33/73/67/158337367.db2.gz LGCJNMOGGGXONR-CYBMUJFWSA-N 0 0 302.440 0.913 10 0 DCAERN COC(=O)CCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705803 158340265 /nfs/dbraw/zinc/34/02/65/158340265.db2.gz CLBSPGIIBVOHQG-GFCCVEGCSA-N 0 0 304.412 0.440 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CN(C)CCO1 ZINC000155288672 158350805 /nfs/dbraw/zinc/35/08/05/158350805.db2.gz TXYZZVCVHKTTSE-RYUDHWBXSA-N 0 0 322.413 0.305 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ccc(Br)cn1 ZINC000162948408 158361848 /nfs/dbraw/zinc/36/18/48/158361848.db2.gz QYGDMWIMTIBTTC-SNVBAGLBSA-N 0 0 300.156 0.530 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)[C@H](C)CO ZINC000167329832 158368297 /nfs/dbraw/zinc/36/82/97/158368297.db2.gz ACTCPTWYOIJICV-SFYZADRCSA-N 0 0 319.379 0.978 10 0 DCAERN CCCn1nccc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000170701477 158375794 /nfs/dbraw/zinc/37/57/94/158375794.db2.gz SFMHFRNFHIVRLY-UHFFFAOYSA-N 0 0 308.386 0.189 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)N[C@H](C)C(N)=O)ccc1F ZINC000170834419 158377273 /nfs/dbraw/zinc/37/72/73/158377273.db2.gz DVFHBTGNFWHWSN-ZCFIWIBFSA-N 0 0 307.289 0.105 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1)N1CCOCC1 ZINC000171026945 158379607 /nfs/dbraw/zinc/37/96/07/158379607.db2.gz ZPUDYHWAZBCGQX-KGLIPLIRSA-N 0 0 310.394 0.510 10 0 DCAERN CC[C@@H]1CN(C[C@H](O)COCC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000171624112 158384690 /nfs/dbraw/zinc/38/46/90/158384690.db2.gz XLRVFCSRYREKDE-OAGGEKHMSA-N 0 0 302.459 0.797 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H](n3cncn3)C2)C[C@@H](C)O1 ZINC000171617246 158384864 /nfs/dbraw/zinc/38/48/64/158384864.db2.gz KAAJYOOLKZCGGB-MCIONIFRSA-N 0 0 307.398 0.551 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000171701507 158386426 /nfs/dbraw/zinc/38/64/26/158386426.db2.gz INKAWNIZKFNGMI-PWSUYJOCSA-N 0 0 316.361 0.642 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171750299 158386885 /nfs/dbraw/zinc/38/68/85/158386885.db2.gz UHNZLICLHXLJPX-ZFWWWQNUSA-N 0 0 305.378 0.859 10 0 DCAERN COCCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000171896271 158387264 /nfs/dbraw/zinc/38/72/64/158387264.db2.gz GUDVOCZRTKVOLP-NSHDSACASA-N 0 0 311.386 0.803 10 0 DCAERN CCc1nnc(CN(CCO)CCOCC(F)(F)F)n1C ZINC000171910044 158388397 /nfs/dbraw/zinc/38/83/97/158388397.db2.gz WZUXTHVFCIAQOM-UHFFFAOYSA-N 0 0 310.320 0.751 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)N1CCNC(=O)C1 ZINC000172079819 158390453 /nfs/dbraw/zinc/39/04/53/158390453.db2.gz XWRHOLVWROMQCS-CYBMUJFWSA-N 0 0 316.361 0.323 10 0 DCAERN CCC[C@H](O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172311143 158393402 /nfs/dbraw/zinc/39/34/02/158393402.db2.gz IEAMAJOGIWHROV-STQMWFEESA-N 0 0 307.398 0.906 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000172453294 158394589 /nfs/dbraw/zinc/39/45/89/158394589.db2.gz AMZDUXYTEZQJDN-JTQLQIEISA-N 0 0 318.377 0.654 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@@H](n2cncn2)C1 ZINC000172541107 158395492 /nfs/dbraw/zinc/39/54/92/158395492.db2.gz CUMJSNJWMWWMDH-GFCCVEGCSA-N 0 0 314.349 0.267 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000172541652 158395817 /nfs/dbraw/zinc/39/58/17/158395817.db2.gz JBOKRPHOCHNKCS-FRRDWIJNSA-N 0 0 312.414 0.050 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1ccc2c(c1)CC(=O)N2 ZINC000172550805 158395921 /nfs/dbraw/zinc/39/59/21/158395921.db2.gz BNLATHDNWLYSQZ-UHFFFAOYSA-N 0 0 310.313 0.945 10 0 DCAERN C[C@H](NC(=O)CN1CCS(=O)(=O)C[C@H]1C)c1ccccc1 ZINC000172633984 158397633 /nfs/dbraw/zinc/39/76/33/158397633.db2.gz PHWAZLNBTDXOIW-OLZOCXBDSA-N 0 0 310.419 0.983 10 0 DCAERN C[C@H](CO)CS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000172876965 158401012 /nfs/dbraw/zinc/40/10/12/158401012.db2.gz ONTICQBTHSVDTK-MRVPVSSYSA-N 0 0 307.318 0.947 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)no1 ZINC000173547641 158407950 /nfs/dbraw/zinc/40/79/50/158407950.db2.gz FXOOUBRFQBMSQQ-LLVKDONJSA-N 0 0 319.369 0.580 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000173827316 158410839 /nfs/dbraw/zinc/41/08/39/158410839.db2.gz JIEXDWWWGUOGLZ-ZIAGYGMSSA-N 0 0 322.413 0.345 10 0 DCAERN O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CC[C@@H](O)C1 ZINC000174582733 158419111 /nfs/dbraw/zinc/41/91/11/158419111.db2.gz QVIAEPVRUXCWNY-HUUCEWRRSA-N 0 0 302.374 0.671 10 0 DCAERN Cn1cc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000174649499 158419299 /nfs/dbraw/zinc/41/92/99/158419299.db2.gz BQDFZARNKRIHCC-LLVKDONJSA-N 0 0 303.370 0.944 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000178124630 158453174 /nfs/dbraw/zinc/45/31/74/158453174.db2.gz ILUSFAUKVCTMQY-UHFFFAOYSA-N 0 0 304.350 0.063 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(C)C ZINC000178700060 158462408 /nfs/dbraw/zinc/46/24/08/158462408.db2.gz FBJAWDVNGPPDIC-KOLCDFICSA-N 0 0 311.407 0.753 10 0 DCAERN COc1cc(N2CCN(C(=O)Nc3ccn(C)n3)CC2)ncn1 ZINC000184395769 158507203 /nfs/dbraw/zinc/50/72/03/158507203.db2.gz ZSTXAQKEGXIZGW-UHFFFAOYSA-N 0 0 317.353 0.573 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000184522887 158508727 /nfs/dbraw/zinc/50/87/27/158508727.db2.gz OWHPZZSNTGWHFT-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184732128 158511495 /nfs/dbraw/zinc/51/14/95/158511495.db2.gz HJONTKCNJJQHGT-UHFFFAOYSA-N 0 0 324.406 0.585 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000185275925 158518677 /nfs/dbraw/zinc/51/86/77/158518677.db2.gz HKQMXQBBQFKNHE-ZUZCIYMTSA-N 0 0 304.346 0.525 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186175696 158527801 /nfs/dbraw/zinc/52/78/01/158527801.db2.gz IMMIVKITXRSWDV-UHFFFAOYSA-N 0 0 324.402 0.984 10 0 DCAERN O=C1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CCN1 ZINC000187824143 158540282 /nfs/dbraw/zinc/54/02/82/158540282.db2.gz QXLSPYURDPLCKF-UHFFFAOYSA-N 0 0 308.359 0.572 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188921400 158548415 /nfs/dbraw/zinc/54/84/15/158548415.db2.gz UOVKWLOHYYKAHS-LXGOIASLSA-N 0 0 301.412 0.064 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1=O ZINC000190516085 158560846 /nfs/dbraw/zinc/56/08/46/158560846.db2.gz WQYHXZNCGCUUIS-CYBMUJFWSA-N 0 0 315.373 0.996 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc1F ZINC000191225623 158566660 /nfs/dbraw/zinc/56/66/60/158566660.db2.gz WARAMJAULQKTDO-VIFPVBQESA-N 0 0 309.341 0.920 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000191276461 158566972 /nfs/dbraw/zinc/56/69/72/158566972.db2.gz XPGCZLYYXXFTEW-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000193079816 158580119 /nfs/dbraw/zinc/58/01/19/158580119.db2.gz PNUDQUYWQVBMCF-VXGBXAGGSA-N 0 0 305.382 0.390 10 0 DCAERN O=C(CN(CCO)CC(F)F)N1CCO[C@H]2CCCC[C@H]21 ZINC000193398204 158583587 /nfs/dbraw/zinc/58/35/87/158583587.db2.gz JBYPLMUAOVENMK-NEPJUHHUSA-N 0 0 306.353 0.716 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1c(C)cccc1C ZINC000193579410 158586464 /nfs/dbraw/zinc/58/64/64/158586464.db2.gz NNIRUARXXUMODH-GDBMZVCRSA-N 0 0 304.390 0.944 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1=O ZINC000194375187 158596699 /nfs/dbraw/zinc/59/66/99/158596699.db2.gz RMCBSDHBZLLRPO-UHFFFAOYSA-N 0 0 310.741 0.364 10 0 DCAERN CCOCCOCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000194857513 158601818 /nfs/dbraw/zinc/60/18/18/158601818.db2.gz NOYDPPDWTRWUMI-UHFFFAOYSA-N 0 0 309.301 0.793 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3cc(C)nn3C)[C@@H]2C1 ZINC000246061587 158657143 /nfs/dbraw/zinc/65/71/43/158657143.db2.gz BHZDNPZUZJHJRM-MCIONIFRSA-N 0 0 322.409 0.935 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)C2)cn1 ZINC000247473192 158682146 /nfs/dbraw/zinc/68/21/46/158682146.db2.gz SBQFQIRWKOOLOO-STQMWFEESA-N 0 0 319.409 0.374 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccco2)C[C@H]1N1CCOCC1 ZINC000249404891 158707092 /nfs/dbraw/zinc/70/70/92/158707092.db2.gz WEOGAVSXCIDVIA-NWDGAFQWSA-N 0 0 300.380 0.621 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000303536589 158983882 /nfs/dbraw/zinc/98/38/82/158983882.db2.gz IQSQYCDRQCVHIO-CHWSQXEVSA-N 0 0 313.427 0.892 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000312470148 158995624 /nfs/dbraw/zinc/99/56/24/158995624.db2.gz GMFJSSLBXWGDLW-WDEREUQCSA-N 0 0 307.318 0.735 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)SCCC2(O)CC2)CC1 ZINC000328606228 159014525 /nfs/dbraw/zinc/01/45/25/159014525.db2.gz KGHBJYJZZQCEGZ-LLVKDONJSA-N 0 0 300.424 0.714 10 0 DCAERN CN1C[C@@H](C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)CC1=O ZINC000328653732 159018021 /nfs/dbraw/zinc/01/80/21/159018021.db2.gz LHRSKVAWWAYAPH-GXTWGEPZSA-N 0 0 305.353 0.777 10 0 DCAERN COc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc(C)n1 ZINC000328663884 159018563 /nfs/dbraw/zinc/01/85/63/159018563.db2.gz YETXLZRHHVVDEG-SNVBAGLBSA-N 0 0 304.306 0.615 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@H](c3cnn(C)c3)C2)n1 ZINC000328741121 159025831 /nfs/dbraw/zinc/02/58/31/159025831.db2.gz IVKJGKRKXRXMHH-AWEZNQCLSA-N 0 0 316.361 0.966 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000328748233 159026221 /nfs/dbraw/zinc/02/62/21/159026221.db2.gz QKCWMKNOHJGQHL-AGIUHOORSA-N 0 0 315.439 0.706 10 0 DCAERN C[C@H](CC(=O)N1CCN2CCOC[C@@H]2C1)N1CCCCC1=O ZINC000328753554 159026688 /nfs/dbraw/zinc/02/66/88/159026688.db2.gz NUNIXIDTNJVCAV-KGLIPLIRSA-N 0 0 309.410 0.321 10 0 DCAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C)on1 ZINC000328853583 159034929 /nfs/dbraw/zinc/03/49/29/159034929.db2.gz WDACKNXXGSNIRG-NSHDSACASA-N 0 0 322.408 0.322 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C[C@H](C)O1 ZINC000328880042 159037128 /nfs/dbraw/zinc/03/71/28/159037128.db2.gz LRQQJYHRSYVHKW-RQJABVFESA-N 0 0 318.439 0.984 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328902329 159038905 /nfs/dbraw/zinc/03/89/05/159038905.db2.gz GMIFDRURNZNTRI-HOTGVXAUSA-N 0 0 320.437 0.901 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1C1CC1 ZINC000328903270 159039239 /nfs/dbraw/zinc/03/92/39/159039239.db2.gz HQYDKMZWIQTVEZ-LSDHHAIUSA-N 0 0 304.394 0.843 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC(C)(C)O1 ZINC000328931975 159042723 /nfs/dbraw/zinc/04/27/23/159042723.db2.gz IDRUAHJUMCECHZ-GHMZBOCLSA-N 0 0 308.382 0.562 10 0 DCAERN COC[C@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC(C)(C)O1 ZINC000328931978 159043079 /nfs/dbraw/zinc/04/30/79/159043079.db2.gz IDRUAHJUMCECHZ-WDEREUQCSA-N 0 0 308.382 0.562 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)no1 ZINC000328947630 159045189 /nfs/dbraw/zinc/04/51/89/159045189.db2.gz KFTIAFPPMDUDAK-GFCCVEGCSA-N 0 0 317.349 0.416 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000328990885 159049891 /nfs/dbraw/zinc/04/98/91/159049891.db2.gz VHSUCOIBCKADER-ZOBORPQBSA-N 0 0 320.393 0.039 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000329033759 159053829 /nfs/dbraw/zinc/05/38/29/159053829.db2.gz MCTIFVSUPUTQTQ-MGPQQGTHSA-N 0 0 316.405 0.843 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000329044587 159054516 /nfs/dbraw/zinc/05/45/16/159054516.db2.gz ULGGGRWOFNSRDX-NEPJUHHUSA-N 0 0 316.365 0.034 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000329135449 159066065 /nfs/dbraw/zinc/06/60/65/159066065.db2.gz CEBNXAUHMVEEJA-WGBDABJCSA-N 0 0 302.321 0.472 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCO[C@@H](C3CC3)C2)CCOCC1 ZINC000329141419 159066853 /nfs/dbraw/zinc/06/68/53/159066853.db2.gz UGRULBSMLAKXER-GFCCVEGCSA-N 0 0 317.407 0.218 10 0 DCAERN C[C@H]1CCCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159060 159068920 /nfs/dbraw/zinc/06/89/20/159068920.db2.gz DQXZDQUPKRLOEM-RWMBFGLXSA-N 0 0 300.424 0.364 10 0 DCAERN CN(Cc1nnnn1C)C[C@H](c1cccs1)N1CCOCC1 ZINC000329159022 159068925 /nfs/dbraw/zinc/06/89/25/159068925.db2.gz XHVQDLOTQRXPBC-GFCCVEGCSA-N 0 0 322.438 0.777 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)nc1C ZINC000329160503 159069030 /nfs/dbraw/zinc/06/90/30/159069030.db2.gz DUHXKIZPQJMGOV-LLVKDONJSA-N 0 0 309.395 0.770 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2cnn3ccncc23)C1 ZINC000329166362 159069867 /nfs/dbraw/zinc/06/98/67/159069867.db2.gz HSCSRGNAMPDHSI-KOLCDFICSA-N 0 0 313.321 0.450 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329271993 159078628 /nfs/dbraw/zinc/07/86/28/159078628.db2.gz IINJNBJNRPQWPO-GFCCVEGCSA-N 0 0 312.333 0.467 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)[C@H]2CCOC2)cn1 ZINC000329353218 159084553 /nfs/dbraw/zinc/08/45/53/159084553.db2.gz XVZCYVONAQECMW-SOUVJXGZSA-N 0 0 323.393 0.854 10 0 DCAERN c1c(-c2nc([C@@H]3CN4CCN3CC4)no2)nn2c1OCCC2 ZINC000329368716 159085860 /nfs/dbraw/zinc/08/58/60/159085860.db2.gz AFONVRWGYXIHLE-NSHDSACASA-N 0 0 302.338 0.388 10 0 DCAERN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)NC3CCCC3)C2)N1 ZINC000329416663 159090405 /nfs/dbraw/zinc/09/04/05/159090405.db2.gz GFKREACSDNVKJY-LBPRGKRZSA-N 0 0 316.383 0.482 10 0 DCAERN O=C([C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)N1CCSCC1 ZINC000329453594 159094350 /nfs/dbraw/zinc/09/43/50/159094350.db2.gz NQIYQDKLWXXKQD-WDEREUQCSA-N 0 0 311.407 0.672 10 0 DCAERN CCN1CCN(C(=O)c2cnn3ccncc23)C(C)(C)C1=O ZINC000329496458 159097438 /nfs/dbraw/zinc/09/74/38/159097438.db2.gz JASKWBDAENEWMI-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN C[C@H]1CCCN(C(=O)c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000329559148 159101626 /nfs/dbraw/zinc/10/16/26/159101626.db2.gz FNFOMHRLXHMFPB-NWDGAFQWSA-N 0 0 305.382 0.614 10 0 DCAERN CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3ccccc3=O)[C@H]2C1 ZINC000329552501 159101676 /nfs/dbraw/zinc/10/16/76/159101676.db2.gz POSYLUUHDQIJFR-UONOGXRCSA-N 0 0 305.378 0.170 10 0 DCAERN Cn1ccnc1CN1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000329560663 159102434 /nfs/dbraw/zinc/10/24/34/159102434.db2.gz RILNNEHFJAGYOJ-UHFFFAOYSA-N 0 0 315.425 0.666 10 0 DCAERN C[C@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CCS1(=O)=O ZINC000329672589 159110928 /nfs/dbraw/zinc/11/09/28/159110928.db2.gz NPRHRNUXTSHXEU-WDEREUQCSA-N 0 0 311.425 0.004 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@H]4CC[C@@H](C3)O4)nc2n1 ZINC000329687003 159112136 /nfs/dbraw/zinc/11/21/36/159112136.db2.gz BNOBSZJFWCKOTJ-TXEJJXNPSA-N 0 0 301.350 0.673 10 0 DCAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cncc(F)c1 ZINC000329756672 159116994 /nfs/dbraw/zinc/11/69/94/159116994.db2.gz MJJJOMWSCOAIBF-GFCCVEGCSA-N 0 0 315.370 0.362 10 0 DCAERN CN1CC[C@H]2OCCN(C(=O)c3snnc3C3CC3)[C@@H]2C1 ZINC000329805338 159120663 /nfs/dbraw/zinc/12/06/63/159120663.db2.gz KQSGWSXCVFLRQI-GHMZBOCLSA-N 0 0 308.407 0.961 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)cn1 ZINC000330161359 159146501 /nfs/dbraw/zinc/14/65/01/159146501.db2.gz SXGVZTCNXYDZPD-UKRRQHHQSA-N 0 0 322.409 0.524 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@H]1OC ZINC000330184490 159149113 /nfs/dbraw/zinc/14/91/13/159149113.db2.gz INCTVVHFFACFNF-GHMZBOCLSA-N 0 0 307.306 0.548 10 0 DCAERN O=S(=O)(N[C@H]1CCN(c2ncccc2Cl)C1)C1COC1 ZINC000330217813 159151550 /nfs/dbraw/zinc/15/15/50/159151550.db2.gz OCRDATCYVVCABC-VIFPVBQESA-N 0 0 317.798 0.632 10 0 DCAERN Cn1cc(Br)c(CN2CCN3C(=O)N=NC3C2)n1 ZINC000330322075 159159693 /nfs/dbraw/zinc/15/96/93/159159693.db2.gz GOHDODBOLWIRSJ-UHFFFAOYSA-N 0 0 313.159 0.496 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccnc2ccncc21 ZINC000330325093 159159967 /nfs/dbraw/zinc/15/99/67/159159967.db2.gz UKYYNWOBLWQIMI-JTQLQIEISA-N 0 0 305.359 0.815 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCC(=O)CC2)cn1 ZINC000330348391 159161296 /nfs/dbraw/zinc/16/12/96/159161296.db2.gz IQLSECXZACZZBE-LSDHHAIUSA-N 0 0 321.377 0.799 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000330441165 159173652 /nfs/dbraw/zinc/17/36/52/159173652.db2.gz UULVMZDPHPACQF-PSASIEDQSA-N 0 0 301.412 0.327 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCSC[C@H]2CCO)no1 ZINC000330538022 159188797 /nfs/dbraw/zinc/18/87/97/159188797.db2.gz WNKBJTWADLEBHL-LLVKDONJSA-N 0 0 306.409 0.613 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)CN1CCOCC1 ZINC000332727235 159210749 /nfs/dbraw/zinc/21/07/49/159210749.db2.gz GQDRYONKEWXMMF-KBPBESRZSA-N 0 0 311.426 0.520 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@H]3C3CC3)CCO2)[nH]1 ZINC000332751699 159212386 /nfs/dbraw/zinc/21/23/86/159212386.db2.gz BKSIEXGXVUUNNN-RWMBFGLXSA-N 0 0 321.381 0.764 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000332855560 159215697 /nfs/dbraw/zinc/21/56/97/159215697.db2.gz YHYGANPZFBLSPH-VHDGCEQUSA-N 0 0 311.426 0.652 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](CO)C1CCCC1 ZINC000352551698 159246880 /nfs/dbraw/zinc/24/68/80/159246880.db2.gz ORCQBFNOZHPLKN-JTQLQIEISA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364202482 159273501 /nfs/dbraw/zinc/27/35/01/159273501.db2.gz KJUOGGCHVSVRDD-MEDUHNTESA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000367029946 159306201 /nfs/dbraw/zinc/30/62/01/159306201.db2.gz OLNBNRVTIIJVIF-NWDGAFQWSA-N 0 0 323.393 0.877 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000367029947 159306691 /nfs/dbraw/zinc/30/66/91/159306691.db2.gz OLNBNRVTIIJVIF-RYUDHWBXSA-N 0 0 323.393 0.877 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C)C1 ZINC000367486873 159340645 /nfs/dbraw/zinc/34/06/45/159340645.db2.gz VLHCDMJKLHZWFP-TUAOUCFPSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000367749849 159354765 /nfs/dbraw/zinc/35/47/65/159354765.db2.gz OITDKPYTROEZNC-GFCCVEGCSA-N 0 0 316.423 0.216 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000367763779 159355269 /nfs/dbraw/zinc/35/52/69/159355269.db2.gz QEUIVLZAMHQKKM-NWDGAFQWSA-N 0 0 315.395 0.644 10 0 DCAERN C[S@@](=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000368325157 159387497 /nfs/dbraw/zinc/38/74/97/159387497.db2.gz XVSHEZKFFNAEJC-WHEQGISXSA-N 0 0 323.418 0.972 10 0 DCAERN Cc1noc(-c2ccc(N[C@@H]3CCCN(CCO)C3=O)nc2)n1 ZINC000368488954 159398383 /nfs/dbraw/zinc/39/83/83/159398383.db2.gz VSOKWVSYAKUSLQ-GFCCVEGCSA-N 0 0 317.349 0.835 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC000369858232 159481863 /nfs/dbraw/zinc/48/18/63/159481863.db2.gz WGTHQSDNVIQMQQ-NWDGAFQWSA-N 0 0 319.409 0.760 10 0 DCAERN C[C@@]1(C2CCN(C(=O)C3=COCCC3)CC2)NC(=O)NC1=O ZINC000371082605 159544563 /nfs/dbraw/zinc/54/45/63/159544563.db2.gz XKRMJQJRGDJNRX-HNNXBMFYSA-N 0 0 307.350 0.517 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371797001 159586175 /nfs/dbraw/zinc/58/61/75/159586175.db2.gz SHGSBYAEHADMIY-INIZCTEOSA-N 0 0 317.389 0.479 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000372475250 159626456 /nfs/dbraw/zinc/62/64/56/159626456.db2.gz STCVTHUKTDHHHN-NHYWBVRUSA-N 0 0 324.381 0.281 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000373051688 159657886 /nfs/dbraw/zinc/65/78/86/159657886.db2.gz LLAYECMCDPCJTG-CHWSQXEVSA-N 0 0 308.378 0.596 10 0 DCAERN CN1N=C(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCC1=O ZINC000373708382 159694296 /nfs/dbraw/zinc/69/42/96/159694296.db2.gz VDVOPRCFIOOKHT-OAHLLOKOSA-N 0 0 309.366 0.391 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000374708361 159747432 /nfs/dbraw/zinc/74/74/32/159747432.db2.gz YNUCMSWOSLQYDJ-FMPXUHTOSA-N 0 0 316.398 0.615 10 0 DCAERN COCCS(=O)(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375249193 159779473 /nfs/dbraw/zinc/77/94/73/159779473.db2.gz ONVOTKHIYITGBK-JTQLQIEISA-N 0 0 301.368 0.713 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCN3CCOC[C@@H]3C2)c1 ZINC000375243134 159779751 /nfs/dbraw/zinc/77/97/51/159779751.db2.gz UTJHIMAICFDEOO-INIZCTEOSA-N 0 0 317.389 0.844 10 0 DCAERN CN(CCNC(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000375243848 159779783 /nfs/dbraw/zinc/77/97/83/159779783.db2.gz BIGFMMRVAZRUFA-INIZCTEOSA-N 0 0 318.421 0.849 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000378119037 159963069 /nfs/dbraw/zinc/96/30/69/159963069.db2.gz IOLYRNAOZATUIH-CQSZACIVSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)CC2CCCCC2)CC(=O)N1C ZINC000407973532 160000209 /nfs/dbraw/zinc/00/02/09/160000209.db2.gz YKGOIDRXNXPYJU-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN CO[C@@H](C)c1nsc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000407976861 160000551 /nfs/dbraw/zinc/00/05/51/160000551.db2.gz POXUOCAYOGZHEC-YUMQZZPRSA-N 0 0 306.413 0.373 10 0 DCAERN CC1(O)CN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000407987473 160003429 /nfs/dbraw/zinc/00/34/29/160003429.db2.gz YFMSVZBGLGEJSL-SNVBAGLBSA-N 0 0 310.300 0.911 10 0 DCAERN O=S(=O)(N1CC[C@@H](Nc2ccccc2)C1)N1CCOCC1 ZINC000407989040 160004803 /nfs/dbraw/zinc/00/48/03/160004803.db2.gz FHQMVAZLGXIULV-CQSZACIVSA-N 0 0 311.407 0.750 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000407996035 160006015 /nfs/dbraw/zinc/00/60/15/160006015.db2.gz KLNMGBJQNGVHKG-GFCCVEGCSA-N 0 0 306.366 0.429 10 0 DCAERN O=C(CN1c2ccccc2CCCC1=O)N1CCNC(=O)C1 ZINC000408000492 160006738 /nfs/dbraw/zinc/00/67/38/160006738.db2.gz CCMXXWQJWYIOSH-UHFFFAOYSA-N 0 0 301.346 0.314 10 0 DCAERN C[C@H](C(=O)N1CCN(C(=O)C(C)(C)C)CC1)N1CCOCC1 ZINC000408000944 160008082 /nfs/dbraw/zinc/00/80/82/160008082.db2.gz KVSQIFDZDQSCBT-CYBMUJFWSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H](CO)c2cnn(C)c2)C1 ZINC000408006237 160008727 /nfs/dbraw/zinc/00/87/27/160008727.db2.gz ZCEUFCFRBMATNX-CMPLNLGQSA-N 0 0 302.400 0.020 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000408009338 160009431 /nfs/dbraw/zinc/00/94/31/160009431.db2.gz TYAZUZCFVSRSGB-DGCLKSJQSA-N 0 0 303.428 0.564 10 0 DCAERN CN(C(=O)N[C@@H]1CCCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000408015282 160011096 /nfs/dbraw/zinc/01/10/96/160011096.db2.gz AXSLDJQDWJPTQT-SDDRHHMPSA-N 0 0 304.412 0.366 10 0 DCAERN CN(C(=O)N(C)C1CCC(CO)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408017241 160011836 /nfs/dbraw/zinc/01/18/36/160011836.db2.gz LOAKXDRYBMMTKW-WXRRBKDZSA-N 0 0 318.439 0.708 10 0 DCAERN Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)n(C)n1 ZINC000408019732 160013037 /nfs/dbraw/zinc/01/30/37/160013037.db2.gz AMXORSDCDACZFT-JTQLQIEISA-N 0 0 300.384 0.057 10 0 DCAERN CN(C(=O)N[C@@H]1CCC[C@@]1(C)CO)[C@H]1CCS(=O)(=O)C1 ZINC000408019234 160013062 /nfs/dbraw/zinc/01/30/62/160013062.db2.gz XMDYKJISIFUCOS-LOWVWBTDSA-N 0 0 304.412 0.366 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000408018163 160013417 /nfs/dbraw/zinc/01/34/17/160013417.db2.gz YKXXPUQNJWSILO-JTQLQIEISA-N 0 0 312.395 0.113 10 0 DCAERN CN(C(=O)N1CCSC[C@@H]1CCO)[C@H]1CCS(=O)(=O)C1 ZINC000408018602 160013459 /nfs/dbraw/zinc/01/34/59/160013459.db2.gz UEMINYABIVYRRC-QWRGUYRKSA-N 0 0 322.452 0.025 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CC(C)(C)O1 ZINC000408025927 160014559 /nfs/dbraw/zinc/01/45/59/160014559.db2.gz FEAVWTXZQYFOSN-VXGBXAGGSA-N 0 0 307.412 0.479 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)sc1C ZINC000408031246 160016581 /nfs/dbraw/zinc/01/65/81/160016581.db2.gz LROVDFCUNORQMN-HZGVNTEJSA-N 0 0 303.409 0.502 10 0 DCAERN Cc1noc([C@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)n1 ZINC000408031727 160016982 /nfs/dbraw/zinc/01/69/82/160016982.db2.gz OWLPQMIPUZFWLA-LBPRGKRZSA-N 0 0 315.395 0.924 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC000408042292 160020920 /nfs/dbraw/zinc/02/09/20/160020920.db2.gz RDZYEKIVIIIFLL-ZUWLOFHESA-N 0 0 302.440 0.513 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408044996 160021395 /nfs/dbraw/zinc/02/13/95/160021395.db2.gz PNKXQSASUXKHQB-HLTSFMKQSA-N 0 0 311.279 0.437 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000408047213 160022338 /nfs/dbraw/zinc/02/23/38/160022338.db2.gz OMIWROFTJGPHCO-CYBMUJFWSA-N 0 0 319.409 0.964 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000408048062 160022894 /nfs/dbraw/zinc/02/28/94/160022894.db2.gz KTRLONHYCMBQLQ-OAHLLOKOSA-N 0 0 317.349 0.315 10 0 DCAERN CSC1(CNC(=O)[C@H]2CCN(C(C)=O)C2)CCOCC1 ZINC000408049653 160023888 /nfs/dbraw/zinc/02/38/88/160023888.db2.gz CLUSSUVVHNRPFD-LBPRGKRZSA-N 0 0 300.424 0.883 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(CCCO)CC2)C1 ZINC000408053636 160024551 /nfs/dbraw/zinc/02/45/51/160024551.db2.gz IHQDQFILJFRQHJ-MRXNPFEDSA-N 0 0 312.410 0.371 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CO1 ZINC000408055162 160025277 /nfs/dbraw/zinc/02/52/77/160025277.db2.gz WKKLHEFWALIPMN-LOWDOPEQSA-N 0 0 314.357 0.209 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC)nc1C ZINC000408058183 160025795 /nfs/dbraw/zinc/02/57/95/160025795.db2.gz HHLUESQEOMTYMV-JTQLQIEISA-N 0 0 300.384 0.111 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)nc1C ZINC000408058489 160025847 /nfs/dbraw/zinc/02/58/47/160025847.db2.gz KGYXRFLLOGXYOG-LLVKDONJSA-N 0 0 324.410 0.925 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408066660 160027024 /nfs/dbraw/zinc/02/70/24/160027024.db2.gz AWRYUQIBKRGCOW-QWRGUYRKSA-N 0 0 322.365 0.788 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000408066886 160027575 /nfs/dbraw/zinc/02/75/75/160027575.db2.gz FVDQROSHQDKXRM-SECBINFHSA-N 0 0 308.338 0.350 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000408076534 160030212 /nfs/dbraw/zinc/03/02/12/160030212.db2.gz KDSXKEZWTZMNLE-OLZOCXBDSA-N 0 0 305.444 0.273 10 0 DCAERN NC(=O)C1CCC(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000408074836 160030361 /nfs/dbraw/zinc/03/03/61/160030361.db2.gz RHGMVJJHKVOGGW-HRDQMINSSA-N 0 0 321.421 0.795 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408078002 160030674 /nfs/dbraw/zinc/03/06/74/160030674.db2.gz FRPHQHKHXUIUKW-NSHDSACASA-N 0 0 303.318 0.368 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1CCN(C(C)=O)CC1 ZINC000408079568 160031169 /nfs/dbraw/zinc/03/11/69/160031169.db2.gz HRQBVOCXYJMHHM-ZDUSSCGKSA-N 0 0 313.423 0.283 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)cn2)CCS1 ZINC000408078920 160031247 /nfs/dbraw/zinc/03/12/47/160031247.db2.gz FZEYRUSJMXXOMF-UHFFFAOYSA-N 0 0 315.420 0.697 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000408081871 160032010 /nfs/dbraw/zinc/03/20/10/160032010.db2.gz UTZYADCNTUUWOV-LLVKDONJSA-N 0 0 319.365 0.270 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000408086561 160032785 /nfs/dbraw/zinc/03/27/85/160032785.db2.gz JYIPRMQQNFZWRK-UHFFFAOYSA-N 0 0 317.333 0.231 10 0 DCAERN CC1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000408090009 160033694 /nfs/dbraw/zinc/03/36/94/160033694.db2.gz UEZSLGFKSUKFJG-TZMCWYRMSA-N 0 0 307.394 0.418 10 0 DCAERN CC[C@@H]1CC[C@@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408091626 160034604 /nfs/dbraw/zinc/03/46/04/160034604.db2.gz VSGPSWOJZNVLJR-GHMZBOCLSA-N 0 0 303.366 0.920 10 0 DCAERN C[C@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C[C@@H]1O ZINC000408096255 160034960 /nfs/dbraw/zinc/03/49/60/160034960.db2.gz YIKGOVVEXABYBH-STQMWFEESA-N 0 0 314.451 0.961 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408097436 160035120 /nfs/dbraw/zinc/03/51/20/160035120.db2.gz NNVBFXPWHCMOAI-SECBINFHSA-N 0 0 315.399 0.138 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408097437 160035236 /nfs/dbraw/zinc/03/52/36/160035236.db2.gz NNVBFXPWHCMOAI-VIFPVBQESA-N 0 0 315.399 0.138 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408099978 160035727 /nfs/dbraw/zinc/03/57/27/160035727.db2.gz OOCGEJOYVIQNLP-XWLWVQCSSA-N 0 0 312.457 0.042 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCN(C)C[C@@H]3C)cnc12 ZINC000408099591 160035986 /nfs/dbraw/zinc/03/59/86/160035986.db2.gz XCPIBCZUIJQNAK-LBPRGKRZSA-N 0 0 300.362 0.779 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408117925 160040278 /nfs/dbraw/zinc/04/02/78/160040278.db2.gz JRFZLIFXEWALCY-VXGBXAGGSA-N 0 0 321.443 0.141 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1nccs1 ZINC000408128126 160042833 /nfs/dbraw/zinc/04/28/33/160042833.db2.gz ZYCPSJUDZXTAMS-VHSXEESVSA-N 0 0 315.420 0.415 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCSC[C@H]1CCO ZINC000408127007 160042836 /nfs/dbraw/zinc/04/28/36/160042836.db2.gz UMRLBYAFPCSWOJ-GHMZBOCLSA-N 0 0 304.437 0.234 10 0 DCAERN C[C@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H]1CO ZINC000408136629 160044910 /nfs/dbraw/zinc/04/49/10/160044910.db2.gz GHFFYVPIJZNBOM-GXSJLCMTSA-N 0 0 309.391 0.582 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000408141270 160045641 /nfs/dbraw/zinc/04/56/41/160045641.db2.gz MIHMLXXAMSYXHI-SSDOTTSWSA-N 0 0 323.168 0.545 10 0 DCAERN CN1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143768 160046980 /nfs/dbraw/zinc/04/69/80/160046980.db2.gz BWAZBCSSXSXZOO-WDEREUQCSA-N 0 0 312.391 0.849 10 0 DCAERN CC(C)n1nnnc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408146847 160047631 /nfs/dbraw/zinc/04/76/31/160047631.db2.gz VXSYKAQXYYMIGC-VIFPVBQESA-N 0 0 305.429 0.628 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408150748 160048555 /nfs/dbraw/zinc/04/85/55/160048555.db2.gz RPKVVTYADUUPQI-JQWIXIFHSA-N 0 0 313.423 0.077 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408155476 160049091 /nfs/dbraw/zinc/04/90/91/160049091.db2.gz UXFYWHMXQNSYPF-QWRGUYRKSA-N 0 0 303.424 0.725 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000408153155 160049262 /nfs/dbraw/zinc/04/92/62/160049262.db2.gz IURXCBIMTYBNOJ-ZDUSSCGKSA-N 0 0 317.455 0.954 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC[S@@]1=O ZINC000408159456 160050056 /nfs/dbraw/zinc/05/00/56/160050056.db2.gz QSIFLPBFSSAMBU-HJTOQOCKSA-N 0 0 316.423 0.169 10 0 DCAERN C[C@@H](C(=O)N1CCC(=O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000408161199 160050200 /nfs/dbraw/zinc/05/02/00/160050200.db2.gz YGQKMNLPJZNKDW-MNOVXSKESA-N 0 0 317.407 0.406 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408161798 160050379 /nfs/dbraw/zinc/05/03/79/160050379.db2.gz PVJINGNSZYIYFH-RYUDHWBXSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@@H](C(=O)N1CCC(=O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000408161201 160050629 /nfs/dbraw/zinc/05/06/29/160050629.db2.gz YGQKMNLPJZNKDW-QWRGUYRKSA-N 0 0 317.407 0.406 10 0 DCAERN CC[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1N1CCOCC1 ZINC000408169592 160051782 /nfs/dbraw/zinc/05/17/82/160051782.db2.gz RJXFMJQAHPRCQC-DZGCQCFKSA-N 0 0 319.405 0.866 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)N1CCOCC1 ZINC000408169298 160051855 /nfs/dbraw/zinc/05/18/55/160051855.db2.gz MTAGIEYESOYMGO-MGPQQGTHSA-N 0 0 311.426 0.470 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H](O)CC1 ZINC000408179207 160053541 /nfs/dbraw/zinc/05/35/41/160053541.db2.gz XRGRMALTUGABIV-SECBINFHSA-N 0 0 318.420 0.691 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)C1=O ZINC000408186639 160055057 /nfs/dbraw/zinc/05/50/57/160055057.db2.gz IVHAEXHNCPJDEL-SDDRHHMPSA-N 0 0 323.393 0.326 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000408185950 160055108 /nfs/dbraw/zinc/05/51/08/160055108.db2.gz OEZDRQQTZSCLEI-SNVBAGLBSA-N 0 0 300.384 0.007 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)CS(=O)(=O)N(C)C)C2)c1 ZINC000408184340 160055221 /nfs/dbraw/zinc/05/52/21/160055221.db2.gz BDIUEKYWTNRADK-GFCCVEGCSA-N 0 0 314.411 0.246 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000408187842 160056140 /nfs/dbraw/zinc/05/61/40/160056140.db2.gz QHUOGHNPSBGCDN-GFCCVEGCSA-N 0 0 304.412 0.295 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000408187964 160056228 /nfs/dbraw/zinc/05/62/28/160056228.db2.gz BMVSURLJXICKIS-PWSUYJOCSA-N 0 0 300.424 0.917 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)C1 ZINC000408192251 160056845 /nfs/dbraw/zinc/05/68/45/160056845.db2.gz KXSMDXUWRBAGTO-YNEHKIRRSA-N 0 0 309.410 0.808 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)C1CCCC1 ZINC000408198479 160058469 /nfs/dbraw/zinc/05/84/69/160058469.db2.gz SNSRPJPRTRULLB-GWCFXTLKSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@H](C(=O)N1CCC(c2cnn(C)c2)CC1)N1CCOCC1 ZINC000408201639 160058515 /nfs/dbraw/zinc/05/85/15/160058515.db2.gz GBDGPJMGEFBMEL-CYBMUJFWSA-N 0 0 306.410 0.847 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CCO2)[nH]1 ZINC000408201845 160059188 /nfs/dbraw/zinc/05/91/88/160059188.db2.gz GOZROCACPZHGIV-VWYCJHECSA-N 0 0 321.381 0.182 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408206405 160060050 /nfs/dbraw/zinc/06/00/50/160060050.db2.gz TXNLJNAXFWAUPD-MRVPVSSYSA-N 0 0 301.368 0.620 10 0 DCAERN Cc1nccc(N2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)n1 ZINC000408214564 160061646 /nfs/dbraw/zinc/06/16/46/160061646.db2.gz KQULDRUVDWBHQL-CYBMUJFWSA-N 0 0 319.409 0.154 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000408221992 160062959 /nfs/dbraw/zinc/06/29/59/160062959.db2.gz NJKRQICEJJFEPU-CHWSQXEVSA-N 0 0 324.425 0.459 10 0 DCAERN O=S(=O)(N(CCO)[C@H]1CCCSC1)N1CCCCC1 ZINC000408223177 160063121 /nfs/dbraw/zinc/06/31/21/160063121.db2.gz DAXHJOUOJDJYQS-LBPRGKRZSA-N 0 0 308.469 0.907 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000408227819 160063881 /nfs/dbraw/zinc/06/38/81/160063881.db2.gz ZEJKZYPIABFIPF-FVCCEPFGSA-N 0 0 312.410 0.800 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)s1 ZINC000408231311 160064514 /nfs/dbraw/zinc/06/45/14/160064514.db2.gz HFJMAWAGQAOQIV-LLVKDONJSA-N 0 0 308.407 0.633 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230246 160064638 /nfs/dbraw/zinc/06/46/38/160064638.db2.gz FDRPSSXHMYHXPY-NXEZZACHSA-N 0 0 317.336 0.083 10 0 DCAERN C[C@@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(F)F ZINC000408233894 160065291 /nfs/dbraw/zinc/06/52/91/160065291.db2.gz YHSBRBBJBWNRLN-KCJUWKMLSA-N 0 0 322.377 0.960 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)n1 ZINC000408233906 160065613 /nfs/dbraw/zinc/06/56/13/160065613.db2.gz BXTIZMIBFJHICB-CIUDSAMLSA-N 0 0 304.372 0.383 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)[C@@H](C)CO1 ZINC000408237061 160066041 /nfs/dbraw/zinc/06/60/41/160066041.db2.gz OYTLZQZZAZUGOT-IUCAKERBSA-N 0 0 320.333 0.509 10 0 DCAERN Cc1ocnc1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408240513 160067230 /nfs/dbraw/zinc/06/72/30/160067230.db2.gz DEOWYUBNCOOCOL-VHSXEESVSA-N 0 0 301.368 0.573 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)sc3c2CCCC3)C1 ZINC000408241429 160067797 /nfs/dbraw/zinc/06/77/97/160067797.db2.gz JMUHVMUBVOFMMS-SNVBAGLBSA-N 0 0 323.418 0.513 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408244446 160068220 /nfs/dbraw/zinc/06/82/20/160068220.db2.gz DEAQVMCDMWUMIW-XEZPLFJOSA-N 0 0 310.394 0.699 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000408249048 160069193 /nfs/dbraw/zinc/06/91/93/160069193.db2.gz OEKOIQYTJFZGBP-LLVKDONJSA-N 0 0 318.333 0.760 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000408251028 160069831 /nfs/dbraw/zinc/06/98/31/160069831.db2.gz VDMXCTXUTOLJJE-INIZCTEOSA-N 0 0 316.361 0.920 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408266628 160072665 /nfs/dbraw/zinc/07/26/65/160072665.db2.gz QYKQRASTXIJSHU-MNOVXSKESA-N 0 0 311.382 0.469 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)N2CCOCC2)CC[S@]1=O ZINC000408268839 160072796 /nfs/dbraw/zinc/07/27/96/160072796.db2.gz DZMWGMLLHLAVJO-LJQANCHMSA-N 0 0 324.468 0.187 10 0 DCAERN C[C@H](O)C[C@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408266630 160072799 /nfs/dbraw/zinc/07/27/99/160072799.db2.gz QYKQRASTXIJSHU-WDEREUQCSA-N 0 0 311.382 0.469 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC000408274045 160073259 /nfs/dbraw/zinc/07/32/59/160073259.db2.gz IPHRYOWONWOAOD-RWMBFGLXSA-N 0 0 318.439 0.588 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCO[C@@]2(CCOC2)C1 ZINC000408273732 160073791 /nfs/dbraw/zinc/07/37/91/160073791.db2.gz FUDIWEKEPDOESK-DOMZBBRYSA-N 0 0 306.366 0.468 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408273460 160073851 /nfs/dbraw/zinc/07/38/51/160073851.db2.gz CZFQUEPPWVCZHP-STQMWFEESA-N 0 0 311.426 0.600 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000408274341 160074476 /nfs/dbraw/zinc/07/44/76/160074476.db2.gz KMGZVGWVVAEXNO-WCQYABFASA-N 0 0 320.411 0.011 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)[nH]1 ZINC000408279523 160074932 /nfs/dbraw/zinc/07/49/32/160074932.db2.gz AJWUHNWIUDFQPV-LLVKDONJSA-N 0 0 314.411 0.277 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1C ZINC000408279326 160075081 /nfs/dbraw/zinc/07/50/81/160075081.db2.gz ZANINKHPRWXKSB-LNLATYFQSA-N 0 0 309.370 0.074 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408277275 160075264 /nfs/dbraw/zinc/07/52/64/160075264.db2.gz OUZCYLAATJOGIP-SRVKXCTJSA-N 0 0 322.427 0.612 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)nc1C ZINC000408285833 160076537 /nfs/dbraw/zinc/07/65/37/160076537.db2.gz HYHSGLCJEDSYJT-SECBINFHSA-N 0 0 300.384 0.111 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000408289077 160076765 /nfs/dbraw/zinc/07/67/65/160076765.db2.gz BLJUIWTXEUKNMI-GFCCVEGCSA-N 0 0 303.428 0.516 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000408288055 160076952 /nfs/dbraw/zinc/07/69/52/160076952.db2.gz WEIHBFSGGHKGEJ-ZDUSSCGKSA-N 0 0 310.375 0.616 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000408292011 160077456 /nfs/dbraw/zinc/07/74/56/160077456.db2.gz BCYBLMODZXZQDI-LZUBYRBGSA-N 0 0 323.393 0.469 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000408294141 160078262 /nfs/dbraw/zinc/07/82/62/160078262.db2.gz KSDGHBNPUFDOSK-SECBINFHSA-N 0 0 317.349 0.328 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCO1 ZINC000408303100 160080500 /nfs/dbraw/zinc/08/05/00/160080500.db2.gz MAWRBHKYJUVJOU-UHFFFAOYSA-N 0 0 316.354 0.724 10 0 DCAERN CC(C)N1C[C@H](C)[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000408315914 160083008 /nfs/dbraw/zinc/08/30/08/160083008.db2.gz MGZYIWNDUVVZAG-NWDGAFQWSA-N 0 0 302.440 0.799 10 0 DCAERN O=C(N1CCC(Oc2ccccn2)CC1)C1(O)CCOCC1 ZINC000408317068 160083277 /nfs/dbraw/zinc/08/32/77/160083277.db2.gz FMKCQXMJTUDNEC-UHFFFAOYSA-N 0 0 306.362 0.993 10 0 DCAERN CCc1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)no1 ZINC000408329070 160086000 /nfs/dbraw/zinc/08/60/00/160086000.db2.gz LXMJKOLRTAEJQC-SNVBAGLBSA-N 0 0 308.338 0.095 10 0 DCAERN C[C@H](C(=O)N1CCC(N2CCCCC2=O)CC1)N1CCOCC1 ZINC000408329962 160086234 /nfs/dbraw/zinc/08/62/34/160086234.db2.gz GKRSPVXQLJLSEE-CQSZACIVSA-N 0 0 323.437 0.711 10 0 DCAERN CSc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C ZINC000408329389 160086356 /nfs/dbraw/zinc/08/63/56/160086356.db2.gz MNVIJTJKNGJHPV-NSHDSACASA-N 0 0 310.423 0.689 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)CCO1 ZINC000408337211 160087247 /nfs/dbraw/zinc/08/72/47/160087247.db2.gz BHTSBQJWJXREPU-AGIUHOORSA-N 0 0 320.393 0.847 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408352062 160090529 /nfs/dbraw/zinc/09/05/29/160090529.db2.gz LVIUGZXGJGLOHR-KGLIPLIRSA-N 0 0 312.410 0.348 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408350523 160090619 /nfs/dbraw/zinc/09/06/19/160090619.db2.gz RXVSADCVAZWFQU-JHJVBQTASA-N 0 0 315.435 0.869 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408354416 160090961 /nfs/dbraw/zinc/09/09/61/160090961.db2.gz HQQLFWTZKVBDHC-OLZOCXBDSA-N 0 0 322.409 0.261 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408360175 160092334 /nfs/dbraw/zinc/09/23/34/160092334.db2.gz YGBIFLOIUABGLM-QWRGUYRKSA-N 0 0 317.407 0.611 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408360176 160092508 /nfs/dbraw/zinc/09/25/08/160092508.db2.gz YGBIFLOIUABGLM-WDEREUQCSA-N 0 0 317.407 0.611 10 0 DCAERN CCCNS(=O)(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000408362126 160092551 /nfs/dbraw/zinc/09/25/51/160092551.db2.gz LUAOJYMYLAQDGY-NEPJUHHUSA-N 0 0 306.428 0.795 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000408371193 160093694 /nfs/dbraw/zinc/09/36/94/160093694.db2.gz WFZSSFFPLFUHAO-RYUDHWBXSA-N 0 0 309.453 0.873 10 0 DCAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@@H](CO)C1 ZINC000408374606 160094382 /nfs/dbraw/zinc/09/43/82/160094382.db2.gz PLWDAOGCSBDJRO-SNVBAGLBSA-N 0 0 309.366 0.621 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H](C(N)=O)C1 ZINC000408379019 160095052 /nfs/dbraw/zinc/09/50/52/160095052.db2.gz YDKIGSBSFJXLBA-BXKDBHETSA-N 0 0 301.350 0.694 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000408378017 160095102 /nfs/dbraw/zinc/09/51/02/160095102.db2.gz STFNWFDPNGSOBV-MRVPVSSYSA-N 0 0 304.393 0.381 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@@H](CO)C1)C(=O)N1CCCC[C@@H]1C ZINC000408384179 160096507 /nfs/dbraw/zinc/09/65/07/160096507.db2.gz YYDLVSWENPSWLF-RWMBFGLXSA-N 0 0 313.398 0.179 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000408385908 160097383 /nfs/dbraw/zinc/09/73/83/160097383.db2.gz MWKUTKIVJKHTBF-YPMHNXCESA-N 0 0 318.439 0.719 10 0 DCAERN COC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408393034 160099211 /nfs/dbraw/zinc/09/92/11/160099211.db2.gz KZCYIDUTPXQPEL-AGIUHOORSA-N 0 0 306.428 0.747 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c1C ZINC000408395910 160099507 /nfs/dbraw/zinc/09/95/07/160099507.db2.gz OASRHIVSQUOEIN-BXKDBHETSA-N 0 0 317.411 0.495 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408395887 160099856 /nfs/dbraw/zinc/09/98/56/160099856.db2.gz RMNNDVGXOIZSCJ-ZIAGYGMSSA-N 0 0 319.471 0.616 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000408397269 160100247 /nfs/dbraw/zinc/10/02/47/160100247.db2.gz XFOIZWWABHNJOY-ZDUSSCGKSA-N 0 0 304.412 0.321 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408399236 160100327 /nfs/dbraw/zinc/10/03/27/160100327.db2.gz FYXPWALJHVIESZ-GXTWGEPZSA-N 0 0 305.378 0.726 10 0 DCAERN Cc1nc2cncc(N3CCN([C@@H](C)C(=O)N(C)C)CC3)n2n1 ZINC000408403219 160101100 /nfs/dbraw/zinc/10/11/00/160101100.db2.gz UCVWFMUGSKDILL-NSHDSACASA-N 0 0 317.397 0.031 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(CC(F)F)CC1 ZINC000408427764 160106167 /nfs/dbraw/zinc/10/61/67/160106167.db2.gz RETBKJQCWWQBTF-NXEZZACHSA-N 0 0 304.341 0.246 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408430302 160106935 /nfs/dbraw/zinc/10/69/35/160106935.db2.gz RWRWHYIKDOIADF-RYUDHWBXSA-N 0 0 306.428 0.577 10 0 DCAERN C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000408436403 160107558 /nfs/dbraw/zinc/10/75/58/160107558.db2.gz YOKLGMUUHFLYNX-PWSUYJOCSA-N 0 0 319.427 0.264 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408435508 160107765 /nfs/dbraw/zinc/10/77/65/160107765.db2.gz XXWZIRLTKJWRBS-AXFHLTTASA-N 0 0 312.457 0.044 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408435303 160107766 /nfs/dbraw/zinc/10/77/66/160107766.db2.gz WGRMCAAQGGNKAD-DCAQKATOSA-N 0 0 312.457 0.044 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)C1 ZINC000408443509 160109268 /nfs/dbraw/zinc/10/92/68/160109268.db2.gz OFQGXLHEWOJTIY-KGLIPLIRSA-N 0 0 323.418 0.616 10 0 DCAERN CC[C@H](O)CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000408450585 160111263 /nfs/dbraw/zinc/11/12/63/160111263.db2.gz FWHMSJBOIWWCPJ-QWRGUYRKSA-N 0 0 318.464 0.624 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC(=O)N1 ZINC000408464043 160113761 /nfs/dbraw/zinc/11/37/61/160113761.db2.gz HHSQIIKYSZLDIU-JTQLQIEISA-N 0 0 319.336 0.913 10 0 DCAERN CC1(S(=O)(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000408461098 160113941 /nfs/dbraw/zinc/11/39/41/160113941.db2.gz TXHCMIXUCWWONV-VIFPVBQESA-N 0 0 312.395 0.570 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@@H]([C@H](C)O)C3)cnc2n1 ZINC000408465218 160115047 /nfs/dbraw/zinc/11/50/47/160115047.db2.gz GVBZWUSQSVJKQX-GXFFZTMASA-N 0 0 317.345 0.866 10 0 DCAERN C[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1CCc2ccccc2C1 ZINC000408475121 160116384 /nfs/dbraw/zinc/11/63/84/160116384.db2.gz BPXRZRCGOOLMNW-LLVKDONJSA-N 0 0 324.402 0.278 10 0 DCAERN Cn1nccc1CNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000056835112 286898835 /nfs/dbraw/zinc/89/88/35/286898835.db2.gz FSNLUNWCZZICGC-UHFFFAOYSA-N 0 0 319.340 0.788 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000062526767 286902445 /nfs/dbraw/zinc/90/24/45/286902445.db2.gz CZISEULKYVDJDB-MNOVXSKESA-N 0 0 314.430 0.846 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCc2cscn2)c1 ZINC000072711853 286911815 /nfs/dbraw/zinc/91/18/15/286911815.db2.gz RZDYBXFNGHEYBF-UHFFFAOYSA-N 0 0 311.388 0.763 10 0 DCAERN O=C(Nc1cccc(OCCF)c1)C(=O)N1CCC[C@H]1CO ZINC000121031013 286953696 /nfs/dbraw/zinc/95/36/96/286953696.db2.gz ZXPLCFGZOAUUDI-LBPRGKRZSA-N 0 0 310.325 0.957 10 0 DCAERN C[C@@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)C(=O)N(C)C ZINC000193252928 286973103 /nfs/dbraw/zinc/97/31/03/286973103.db2.gz GHZJEFGOJXZXCZ-PWSUYJOCSA-N 0 0 318.377 0.888 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)Nc1cc(CCOC)nn1C ZINC000128195433 286981803 /nfs/dbraw/zinc/98/18/03/286981803.db2.gz RZCPIUZARAIBKQ-NSHDSACASA-N 0 0 309.370 0.351 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000132359895 287005212 /nfs/dbraw/zinc/00/52/12/287005212.db2.gz UQBWLRASJXNONW-QWRGUYRKSA-N 0 0 318.377 0.816 10 0 DCAERN CC(C)OC[C@@H](O)CN(Cc1ccccn1)S(C)(=O)=O ZINC000133565580 287011472 /nfs/dbraw/zinc/01/14/72/287011472.db2.gz GXEVHHHNHLPJCZ-ZDUSSCGKSA-N 0 0 302.396 0.629 10 0 DCAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000134353033 287015841 /nfs/dbraw/zinc/01/58/41/287015841.db2.gz BQNFRHZMNJLHHW-JTQLQIEISA-N 0 0 305.359 0.744 10 0 DCAERN Cc1ccc(NCC(=O)N2CCOCC2)cc1S(C)(=O)=O ZINC000134890088 287019011 /nfs/dbraw/zinc/01/90/11/287019011.db2.gz OAYKMAGXNDXPJN-UHFFFAOYSA-N 0 0 312.391 0.669 10 0 DCAERN COC(=O)NC(C)(C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135365857 287021975 /nfs/dbraw/zinc/02/19/75/287021975.db2.gz OJTYXPUAHLFPDU-VIFPVBQESA-N 0 0 309.370 0.926 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000136762082 287027272 /nfs/dbraw/zinc/02/72/72/287027272.db2.gz IMRACCPEANVLMR-VXGBXAGGSA-N 0 0 312.414 0.588 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000151160308 287032341 /nfs/dbraw/zinc/03/23/41/287032341.db2.gz BCPHHJXIRBPUPG-LBPRGKRZSA-N 0 0 323.397 0.069 10 0 DCAERN COc1cc(Cl)ccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150746229 287030505 /nfs/dbraw/zinc/03/05/05/287030505.db2.gz JCJDLHAUWDCBNE-UHFFFAOYSA-N 0 0 323.736 0.998 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152223114 287039845 /nfs/dbraw/zinc/03/98/45/287039845.db2.gz GMBCVRLMNWLGFU-GFCCVEGCSA-N 0 0 313.317 0.111 10 0 DCAERN Cc1noc(C)c1[C@@H](C)CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000152250730 287040008 /nfs/dbraw/zinc/04/00/08/287040008.db2.gz IOFYGKYISXMMMF-QMMMGPOBSA-N 0 0 322.365 0.842 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C)C1 ZINC000152327327 287040697 /nfs/dbraw/zinc/04/06/97/287040697.db2.gz FQNBVNBTFKATTA-NSHDSACASA-N 0 0 321.381 0.266 10 0 DCAERN CCn1cc(C(=O)C(=O)NCc2cccnc2N(C)C)cn1 ZINC000153212770 287047899 /nfs/dbraw/zinc/04/78/99/287047899.db2.gz KLUUWBHQHHDLHW-UHFFFAOYSA-N 0 0 301.350 0.863 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000245555755 287070676 /nfs/dbraw/zinc/07/06/76/287070676.db2.gz RSCXDMLXWSVXDT-JHJVBQTASA-N 0 0 318.439 0.610 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCO1 ZINC000245636785 287071673 /nfs/dbraw/zinc/07/16/73/287071673.db2.gz JSDKOHMVMAJQIS-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246064957 287075984 /nfs/dbraw/zinc/07/59/84/287075984.db2.gz BWCSXMPCVGZWPA-GHMZBOCLSA-N 0 0 313.379 0.723 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CC(C)(C)C)[C@@H](C)CO1 ZINC000246097079 287076792 /nfs/dbraw/zinc/07/67/92/287076792.db2.gz LJVGLGLHSRNTNK-TUAOUCFPSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)[C@@H](C)CO1 ZINC000246232014 287079705 /nfs/dbraw/zinc/07/97/05/287079705.db2.gz RBWXLSTZMTVRBA-STQMWFEESA-N 0 0 313.423 0.910 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000246531608 287085259 /nfs/dbraw/zinc/08/52/59/287085259.db2.gz PPVZJTKZPWQMPK-QPSCCSFWSA-N 0 0 318.373 0.948 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000246954940 287089226 /nfs/dbraw/zinc/08/92/26/287089226.db2.gz FVMPSGGUUKPSFO-UPJWGTAASA-N 0 0 302.440 0.610 10 0 DCAERN CCOCCNC(=O)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000246948219 287089346 /nfs/dbraw/zinc/08/93/46/287089346.db2.gz NOQHHDMHVCEMNC-AWEZNQCLSA-N 0 0 301.431 0.182 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000246651389 287086524 /nfs/dbraw/zinc/08/65/24/287086524.db2.gz OHBOVRGQZMPDJY-VWYCJHECSA-N 0 0 308.382 0.093 10 0 DCAERN C[C@H](C(=O)N1CCCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246977152 287089796 /nfs/dbraw/zinc/08/97/96/287089796.db2.gz FIHUGDAZGYXNSB-CHWSQXEVSA-N 0 0 317.455 0.401 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000247144563 287091299 /nfs/dbraw/zinc/09/12/99/287091299.db2.gz RKORACBLRUVVSD-HZSPNIEDSA-N 0 0 321.421 0.795 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 ZINC000247920038 287095455 /nfs/dbraw/zinc/09/54/55/287095455.db2.gz BQJFWVASGUHDMS-RBSFLKMASA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248440309 287096903 /nfs/dbraw/zinc/09/69/03/287096903.db2.gz DABAHUZPWIQORV-ASAPTCPQSA-N 0 0 302.318 0.462 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CCOC[C@H]1C ZINC000248840033 287102037 /nfs/dbraw/zinc/10/20/37/287102037.db2.gz FLJSEKVHESKEIQ-NEPJUHHUSA-N 0 0 306.428 0.447 10 0 DCAERN COc1ccc(COC[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000248986786 287104663 /nfs/dbraw/zinc/10/46/63/287104663.db2.gz FFGUDMCCOCGNJV-UKRRQHHQSA-N 0 0 322.405 0.783 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248680811 287099835 /nfs/dbraw/zinc/09/98/35/287099835.db2.gz FJXORPOTQICSDO-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C(N)=O)N1CCCCC1=O ZINC000249154729 287107371 /nfs/dbraw/zinc/10/73/71/287107371.db2.gz WDQOCBHYKMEEDB-AGIUHOORSA-N 0 0 309.410 0.890 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC[C@H]1O ZINC000249511686 287112383 /nfs/dbraw/zinc/11/23/83/287112383.db2.gz NULAGERVEVPRSZ-MEWXFMAXSA-N 0 0 317.389 0.830 10 0 DCAERN CO[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C ZINC000251679546 287119480 /nfs/dbraw/zinc/11/94/80/287119480.db2.gz IXFOOHVQZYLEFY-RKDXNWHRSA-N 0 0 311.304 0.731 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H](C)O1 ZINC000253295795 287121202 /nfs/dbraw/zinc/12/12/02/287121202.db2.gz RXYKRMZOJCLBSO-UPJWGTAASA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000245417031 287181960 /nfs/dbraw/zinc/18/19/60/287181960.db2.gz FQOOCHVJTWMDFP-FRRDWIJNSA-N 0 0 305.382 0.897 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@@H](C)O1 ZINC000094083759 287204908 /nfs/dbraw/zinc/20/49/08/287204908.db2.gz ZZFRUABCUUQKMK-VXGBXAGGSA-N 0 0 320.393 0.799 10 0 DCAERN O=C(NCC(=O)N1CCN2CCOC[C@@H]2C1)NC1CCCCC1 ZINC000363870734 287218877 /nfs/dbraw/zinc/21/88/77/287218877.db2.gz YHUHHYJRAUAVMV-AWEZNQCLSA-N 0 0 324.425 0.161 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[S@](=O)CC[C@@H]1C ZINC000408396282 287234135 /nfs/dbraw/zinc/23/41/35/287234135.db2.gz STHGVEOGMSXZGR-PRWKNARSSA-N 0 0 303.428 0.311 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)C(=O)NCCCC2CC2)cc1C ZINC000536619804 412315880 /nfs/dbraw/zinc/31/58/80/412315880.db2.gz MHSYBSPMOZFPTG-UHFFFAOYSA-N 0 0 321.381 0.182 10 0 DCAERN Cn1ccc(NC(=O)C(=O)NC[C@@H](CO)c2ccccc2)n1 ZINC000494277320 412473519 /nfs/dbraw/zinc/47/35/19/412473519.db2.gz QBVXVJWRFNJCRD-LBPRGKRZSA-N 0 0 302.334 0.251 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCCN1CCOCC1 ZINC000035353608 415190132 /nfs/dbraw/zinc/19/01/32/415190132.db2.gz DVXCUUTYBWZKCI-UHFFFAOYSA-N 0 0 313.423 0.729 10 0 DCAERN CCCn1nccc1NC(=O)NCCCNS(C)(=O)=O ZINC000043720703 415216239 /nfs/dbraw/zinc/21/62/39/415216239.db2.gz RIOAUBLWFXTFIY-UHFFFAOYSA-N 0 0 303.388 0.354 10 0 DCAERN COc1coc(CN2CCS(=O)(=O)C(C)(C)C2)cc1=O ZINC000268417806 415210662 /nfs/dbraw/zinc/21/06/62/415210662.db2.gz AHUQVCGBGLWCAJ-UHFFFAOYSA-N 0 0 301.364 0.657 10 0 DCAERN COCCn1cc(NC(=O)N(C)CC(=O)NC(C)(C)C)cn1 ZINC000047876233 415277940 /nfs/dbraw/zinc/27/79/40/415277940.db2.gz LSOVRMBVZIEXPA-UHFFFAOYSA-N 0 0 311.386 0.908 10 0 DCAERN CCn1c2ccccc2n(C[C@@H](O)CN2CCOCC2)c1=O ZINC000044907685 415231764 /nfs/dbraw/zinc/23/17/64/415231764.db2.gz VZMCHWVZYILFAQ-ZDUSSCGKSA-N 0 0 305.378 0.516 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)CCNS(C)(=O)=O)c2)no1 ZINC000064329164 415350966 /nfs/dbraw/zinc/35/09/66/415350966.db2.gz ACSHSYXTPLSVCQ-UHFFFAOYSA-N 0 0 324.362 0.923 10 0 DCAERN c1ccc(-n2nnnc2NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000066745684 415365295 /nfs/dbraw/zinc/36/52/95/415365295.db2.gz JGQKGIWQBSUBHU-AWEZNQCLSA-N 0 0 300.366 0.937 10 0 DCAERN NS(=O)(=O)c1cnc(NC[C@@H]2CN(C3CC3)CCO2)s1 ZINC000066745930 415366149 /nfs/dbraw/zinc/36/61/49/415366149.db2.gz JMECGFIDIIBZKO-SECBINFHSA-N 0 0 318.424 0.066 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Br ZINC000352927469 415374161 /nfs/dbraw/zinc/37/41/61/415374161.db2.gz XSCOMHULXGMGRZ-POYBYMJQSA-N 0 0 315.171 0.580 10 0 DCAERN COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067199642 415375942 /nfs/dbraw/zinc/37/59/42/415375942.db2.gz YRASXBCFRGUNOF-CYBMUJFWSA-N 0 0 306.362 0.755 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C1=COCCC1 ZINC000275537431 415377033 /nfs/dbraw/zinc/37/70/33/415377033.db2.gz FBZXJUSIEWBUPX-LBPRGKRZSA-N 0 0 304.350 0.962 10 0 DCAERN C[C@@H](c1ccccn1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000067999496 415389960 /nfs/dbraw/zinc/38/99/60/415389960.db2.gz ZGFWBBXQODMLDI-JTQLQIEISA-N 0 0 304.350 0.931 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000332800772 415481993 /nfs/dbraw/zinc/48/19/93/415481993.db2.gz WUGKNEUOGLSFEA-IVMMDQJWSA-N 0 0 311.426 0.205 10 0 DCAERN Cc1nc(-c2ccccn2)nc(N2CC[C@@](O)(C(N)=O)C2)c1C ZINC000278797340 415490562 /nfs/dbraw/zinc/49/05/62/415490562.db2.gz QTCIGDDJZSJZLI-INIZCTEOSA-N 0 0 313.361 0.582 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCCOC2)cc1S(=O)(=O)N(C)C ZINC000084760376 415499267 /nfs/dbraw/zinc/49/92/67/415499267.db2.gz REWRCEZMQNLHRA-SNVBAGLBSA-N 0 0 316.379 0.747 10 0 DCAERN Cn1cc(NC(=O)Cc2cc(F)ccc2F)c(=O)n(C)c1=O ZINC000074955184 415435148 /nfs/dbraw/zinc/43/51/48/415435148.db2.gz NVBOQILELXTMOS-UHFFFAOYSA-N 0 0 309.272 0.543 10 0 DCAERN O=C(Nc1ccc2n[nH]cc2c1)C(=O)N1CCN(C2CC2)CC1 ZINC000076270366 415457361 /nfs/dbraw/zinc/45/73/61/415457361.db2.gz ZZQFLNQAZDKQOX-UHFFFAOYSA-N 0 0 313.361 0.808 10 0 DCAERN NS(=O)(=O)Nc1cccc(NS(=O)(=O)CC2CC2)c1 ZINC000086498169 415509477 /nfs/dbraw/zinc/50/94/77/415509477.db2.gz AGPCLOSTFHKIIL-UHFFFAOYSA-N 0 0 305.381 0.454 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CSCN1C(C)=O ZINC000088197156 415514708 /nfs/dbraw/zinc/51/47/08/415514708.db2.gz CONHFSKQFJOZER-MNOVXSKESA-N 0 0 323.422 0.713 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279488686 415520407 /nfs/dbraw/zinc/52/04/07/415520407.db2.gz IKLGKEWYYAPWBL-MRXNPFEDSA-N 0 0 313.361 0.698 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCO1 ZINC000333027384 415536076 /nfs/dbraw/zinc/53/60/76/415536076.db2.gz LDOYMNBXFXMQIR-HBJVGIJOSA-N 0 0 311.382 0.106 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000091414241 415537061 /nfs/dbraw/zinc/53/70/61/415537061.db2.gz SKAFOOYQOFAXSN-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000093024188 415545733 /nfs/dbraw/zinc/54/57/33/415545733.db2.gz ULIAITXXYUTWAX-UHFFFAOYSA-N 0 0 319.365 0.621 10 0 DCAERN O=C(CN1CC(=O)N(C2CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333319208 415609903 /nfs/dbraw/zinc/60/99/03/415609903.db2.gz PBZNIDDOGLMBMT-UONOGXRCSA-N 0 0 307.394 0.421 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2nn(C)cc2Br)C1 ZINC000353635803 415611100 /nfs/dbraw/zinc/61/11/00/415611100.db2.gz BZSLFSHDTYSXIO-YUMQZZPRSA-N 0 0 318.171 0.404 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)c12 ZINC000285216162 415611610 /nfs/dbraw/zinc/61/16/10/415611610.db2.gz FHGIYEJIXFUWFB-SKDRFNHKSA-N 0 0 318.333 0.554 10 0 DCAERN COc1ccc(CCNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104776632 415628187 /nfs/dbraw/zinc/62/81/87/415628187.db2.gz JFJBCGUBBUZFCA-HNNXBMFYSA-N 0 0 307.394 0.868 10 0 DCAERN Cc1ccc(N2CCCN(CC(=O)N(C)C3CC3)CC2)nn1 ZINC000105801772 415630078 /nfs/dbraw/zinc/63/00/78/415630078.db2.gz SQKQWYBNKKWKFH-UHFFFAOYSA-N 0 0 303.410 0.918 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)c1ccc2c(n1)CCCC2 ZINC000333402315 415639431 /nfs/dbraw/zinc/63/94/31/415639431.db2.gz BVDZQISLKJVEDO-UHFFFAOYSA-N 0 0 317.389 0.891 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000333189315 415578976 /nfs/dbraw/zinc/57/89/76/415578976.db2.gz VHBPQCQNEDUBEJ-XQHKEYJVSA-N 0 0 318.377 0.280 10 0 DCAERN C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000097057599 415580968 /nfs/dbraw/zinc/58/09/68/415580968.db2.gz REFDRTKQGZXNCW-SNVBAGLBSA-N 0 0 318.377 0.323 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333220966 415586966 /nfs/dbraw/zinc/58/69/66/415586966.db2.gz WNTQQXIOFRYDBH-YIYPIFLZSA-N 0 0 302.440 0.815 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](C)O)C(C)C ZINC000098078128 415589995 /nfs/dbraw/zinc/58/99/95/415589995.db2.gz SZSUCKYCAYXDCK-FZMZJTMJSA-N 0 0 308.378 0.947 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000333239816 415591333 /nfs/dbraw/zinc/59/13/33/415591333.db2.gz IHWVRYRKMXHGJN-JGGQBBKZSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(C3CC3)C(=O)C2)CCO1 ZINC000333269104 415599219 /nfs/dbraw/zinc/59/92/19/415599219.db2.gz CENKURAEBVLTBX-PWSUYJOCSA-N 0 0 302.396 0.190 10 0 DCAERN Cc1nc2cccc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)c2[nH]1 ZINC000284902360 415600192 /nfs/dbraw/zinc/60/01/92/415600192.db2.gz ARWKHIKLMJUCCN-OQPBUACISA-N 0 0 302.334 0.586 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112030922 415702270 /nfs/dbraw/zinc/70/22/70/415702270.db2.gz QCZNAMQVOUYKMY-UWVGGRQHSA-N 0 0 321.299 0.277 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000333651301 415705770 /nfs/dbraw/zinc/70/57/70/415705770.db2.gz VULCGSZTJOAIKV-BXUZGUMPSA-N 0 0 300.378 0.340 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750737 415710063 /nfs/dbraw/zinc/71/00/63/415710063.db2.gz ABWGSZKCUFYYLX-QWHCGFSZSA-N 0 0 307.325 0.485 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CCCO ZINC000289744829 415713061 /nfs/dbraw/zinc/71/30/61/415713061.db2.gz GCGSGUMGFVVOMP-UHFFFAOYSA-N 0 0 305.352 0.686 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c(C)c1 ZINC000120505975 415770194 /nfs/dbraw/zinc/77/01/94/415770194.db2.gz NSYCEYVIMDTEDI-LBPRGKRZSA-N 0 0 303.362 0.979 10 0 DCAERN O=C(/C=C/c1ccc(O)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000122254755 415830780 /nfs/dbraw/zinc/83/07/80/415830780.db2.gz UANVCJAIPPXBGX-YFCVBGDOSA-N 0 0 306.362 0.215 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCS1(=O)=O ZINC000122375607 415833946 /nfs/dbraw/zinc/83/39/46/415833946.db2.gz OKMAUOGXRKACPP-VIFPVBQESA-N 0 0 314.338 0.410 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ncc(C)s2)C1 ZINC000123465321 415841108 /nfs/dbraw/zinc/84/11/08/415841108.db2.gz MDDMVVPXXFAIBI-JTQLQIEISA-N 0 0 310.379 0.517 10 0 DCAERN COC(=O)[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000124127837 415848195 /nfs/dbraw/zinc/84/81/95/415848195.db2.gz ZKJAVKOWAQPFDG-OPRDCNLKSA-N 0 0 324.299 0.412 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cn1 ZINC000120955935 415788687 /nfs/dbraw/zinc/78/86/87/415788687.db2.gz WRPLMBRCDHNARO-ZDUSSCGKSA-N 0 0 320.393 0.850 10 0 DCAERN C[C@@H](NC(=O)CCc1ccnn1C)C(=O)NCc1ccco1 ZINC000121224231 415795480 /nfs/dbraw/zinc/79/54/80/415795480.db2.gz IEWWEYKXPCCLIF-LLVKDONJSA-N 0 0 304.350 0.767 10 0 DCAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121184652 415796985 /nfs/dbraw/zinc/79/69/85/415796985.db2.gz AGKSOGGPSRFJBY-CYBMUJFWSA-N 0 0 315.333 0.189 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H](CO)C1 ZINC000336810826 415818382 /nfs/dbraw/zinc/81/83/82/415818382.db2.gz JPTPWASHEKLBPA-RKDXNWHRSA-N 0 0 307.803 0.903 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000121865395 415820502 /nfs/dbraw/zinc/82/05/02/415820502.db2.gz YTKIULLSPYMOSF-NSHDSACASA-N 0 0 310.375 0.579 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000125766212 415866588 /nfs/dbraw/zinc/86/65/88/415866588.db2.gz LSCCWFRMBTYGAV-SECBINFHSA-N 0 0 303.322 0.893 10 0 DCAERN CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000126180382 415875357 /nfs/dbraw/zinc/87/53/57/415875357.db2.gz GDBXWVBYCAFFRV-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN O=C(Nc1cnn(-c2ccccc2)c1)N[C@@H]1CCC(=O)NC1=O ZINC000126480227 415877550 /nfs/dbraw/zinc/87/75/50/415877550.db2.gz ADVPSALJSDDKQO-GFCCVEGCSA-N 0 0 313.317 0.799 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C)CCC1 ZINC000127254488 415885904 /nfs/dbraw/zinc/88/59/04/415885904.db2.gz GNCWEPUSGXRNBY-SNVBAGLBSA-N 0 0 314.411 0.393 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)NCCCn1ccnn1 ZINC000130786998 415924361 /nfs/dbraw/zinc/92/43/61/415924361.db2.gz YYDGYRIYJFWOCK-UHFFFAOYSA-N 0 0 323.303 0.493 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000131062179 415927019 /nfs/dbraw/zinc/92/70/19/415927019.db2.gz FXELRQBJLXFJSO-STQMWFEESA-N 0 0 317.455 0.954 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnn1CCC ZINC000125404659 415864357 /nfs/dbraw/zinc/86/43/57/415864357.db2.gz FBODHIZGYBIEKW-LLVKDONJSA-N 0 0 321.381 0.359 10 0 DCAERN CN1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)CCC1=O ZINC000133331576 415943558 /nfs/dbraw/zinc/94/35/58/415943558.db2.gz GGQUNPZZEYPVFR-NSHDSACASA-N 0 0 303.362 0.604 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134132947 415953416 /nfs/dbraw/zinc/95/34/16/415953416.db2.gz ZOIFRKYJYYPCLT-ZCFIWIBFSA-N 0 0 307.326 0.928 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000344650106 415966911 /nfs/dbraw/zinc/96/69/11/415966911.db2.gz OHLPXUSHABNHRN-QLFBSQMISA-N 0 0 324.421 0.897 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)NCC[C@@H](C)O)c1C ZINC000152722582 415969491 /nfs/dbraw/zinc/96/94/91/415969491.db2.gz KIZCNELZCIRFMR-SECBINFHSA-N 0 0 300.380 0.452 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(C(=O)NCC[C@H](C)O)cc1 ZINC000153064464 415974559 /nfs/dbraw/zinc/97/45/59/415974559.db2.gz OHCCSSPNNQWEIZ-TXEJJXNPSA-N 0 0 308.378 0.688 10 0 DCAERN CSc1nc2nc(C)c(CC(=O)NCC[C@@H](C)O)c(C)n2n1 ZINC000153060486 415974644 /nfs/dbraw/zinc/97/46/44/415974644.db2.gz MKFKGXGBKXHXDX-MRVPVSSYSA-N 0 0 323.422 0.893 10 0 DCAERN COc1ccccc1CCNC(=O)CN1C[C@H](OC)C[C@H]1CO ZINC000344716244 415975100 /nfs/dbraw/zinc/97/51/00/415975100.db2.gz OBZKYXCVISYGRD-LSDHHAIUSA-N 0 0 322.405 0.436 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000153079689 415975096 /nfs/dbraw/zinc/97/50/96/415975096.db2.gz FGJHONRJRQRZHG-GFCCVEGCSA-N 0 0 312.753 0.604 10 0 DCAERN O=C(Cc1coc(-c2cccs2)n1)N[C@H]1CCC(=O)NC1=O ZINC000153411071 415981380 /nfs/dbraw/zinc/98/13/80/415981380.db2.gz JOUHTXVRJLEVJM-VIFPVBQESA-N 0 0 319.342 0.867 10 0 DCAERN O=C(CCC(=O)c1ccc(F)c(F)c1)N[C@H]1CCC(=O)NC1=O ZINC000153532123 415982693 /nfs/dbraw/zinc/98/26/93/415982693.db2.gz LOCXKPTXZPVWRD-NSHDSACASA-N 0 0 324.283 0.849 10 0 DCAERN COCC(=O)N(C)CC(=O)NC1CCN(c2ccccn2)CC1 ZINC000153599407 415983782 /nfs/dbraw/zinc/98/37/82/415983782.db2.gz RXUNSDBNYJENMW-UHFFFAOYSA-N 0 0 320.393 0.271 10 0 DCAERN Cn1c2ccc(NC(=O)N[C@@H]3CCC(=O)N(C)C3)cc2oc1=O ZINC000153628378 415985596 /nfs/dbraw/zinc/98/55/96/415985596.db2.gz IZWSLQGLIIECSO-SNVBAGLBSA-N 0 0 318.333 0.874 10 0 DCAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153863211 415987944 /nfs/dbraw/zinc/98/79/44/415987944.db2.gz IBHKLLLCDRUMMU-WDEREUQCSA-N 0 0 309.370 0.481 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NC/C=C/c2ccccc2)nn1 ZINC000171992550 416042764 /nfs/dbraw/zinc/04/27/64/416042764.db2.gz DRMJZBSVKQZKCW-RMKNXTFCSA-N 0 0 313.361 0.810 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172436299 416046216 /nfs/dbraw/zinc/04/62/16/416046216.db2.gz YJYVZSICKQEBDU-NWDGAFQWSA-N 0 0 318.439 0.608 10 0 DCAERN CCNS(=O)(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000172457724 416046241 /nfs/dbraw/zinc/04/62/41/416046241.db2.gz VEXUCWRANIKFNC-JTQLQIEISA-N 0 0 317.415 0.165 10 0 DCAERN Cn1cc(NC(=O)Cn2ccc3ccccc32)c(=O)n(C)c1=O ZINC000173088781 416052148 /nfs/dbraw/zinc/05/21/48/416052148.db2.gz FEWFPYMHPRKOTC-UHFFFAOYSA-N 0 0 312.329 0.677 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000173038468 416052915 /nfs/dbraw/zinc/05/29/15/416052915.db2.gz LRNAPCJRXHLJSO-ZOWXZIJZSA-N 0 0 311.426 0.467 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCN(C)C1=O ZINC000173268367 416056122 /nfs/dbraw/zinc/05/61/22/416056122.db2.gz QGGJHKZFXYVETN-RNCFNFMXSA-N 0 0 307.398 0.498 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CO)ncn1 ZINC000173418320 416058969 /nfs/dbraw/zinc/05/89/69/416058969.db2.gz XRIBONYLBXURSZ-MNOVXSKESA-N 0 0 308.386 0.167 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000173434164 416059257 /nfs/dbraw/zinc/05/92/57/416059257.db2.gz TZSJUCWHTGHGOM-NSHDSACASA-N 0 0 303.370 0.546 10 0 DCAERN COCCCS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173417398 416059348 /nfs/dbraw/zinc/05/93/48/416059348.db2.gz VVVSLRMDUTYEPS-GFCCVEGCSA-N 0 0 316.427 0.345 10 0 DCAERN CCCCS(=O)(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173740145 416064823 /nfs/dbraw/zinc/06/48/23/416064823.db2.gz LVHTVMUWMRPEFF-JTQLQIEISA-N 0 0 302.400 0.870 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2cscn2)cn1C ZINC000173788879 416066248 /nfs/dbraw/zinc/06/62/48/416066248.db2.gz SALWOMLSAOESDA-UHFFFAOYSA-N 0 0 315.376 0.747 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000357363770 416066994 /nfs/dbraw/zinc/06/69/94/416066994.db2.gz MGGVXLGNQTVWQN-RVMXOQNASA-N 0 0 300.424 0.759 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173875933 416068550 /nfs/dbraw/zinc/06/85/50/416068550.db2.gz XJZWTKNPTVQDEV-KGLIPLIRSA-N 0 0 309.410 0.178 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174010004 416071716 /nfs/dbraw/zinc/07/17/16/416071716.db2.gz YZTWTYISVCKRLX-GFCCVEGCSA-N 0 0 321.352 0.697 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008431 416072139 /nfs/dbraw/zinc/07/21/39/416072139.db2.gz BJBNUTNGNDORLT-AWEZNQCLSA-N 0 0 321.352 0.697 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000174370736 416078313 /nfs/dbraw/zinc/07/83/13/416078313.db2.gz UOPYHCUJSVZMSI-IUCAKERBSA-N 0 0 318.370 0.949 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1C(N)=O ZINC000158823571 416003382 /nfs/dbraw/zinc/00/33/82/416003382.db2.gz SZNZUPYMZOMKQH-RKDXNWHRSA-N 0 0 316.379 0.089 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000158805296 416003762 /nfs/dbraw/zinc/00/37/62/416003762.db2.gz NLUIBGRZTCUZCK-ZJUUUORDSA-N 0 0 301.364 0.768 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000158815013 416003886 /nfs/dbraw/zinc/00/38/86/416003886.db2.gz NJEQELZERFCTKV-DTWKUNHWSA-N 0 0 314.363 0.427 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158951258 416004528 /nfs/dbraw/zinc/00/45/28/416004528.db2.gz WKUZWCYNAUEAST-OLZOCXBDSA-N 0 0 304.456 0.902 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000162553848 416015661 /nfs/dbraw/zinc/01/56/61/416015661.db2.gz WOXIQTHSXHTLBT-OLZOCXBDSA-N 0 0 318.416 0.742 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@]1(CO)CC(C)C ZINC000357018576 416021671 /nfs/dbraw/zinc/02/16/71/416021671.db2.gz YBRPYEQIERNQKY-IJEWVQPXSA-N 0 0 312.410 0.368 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000166772758 416023200 /nfs/dbraw/zinc/02/32/00/416023200.db2.gz VDBIROZQEBUXEN-SNVBAGLBSA-N 0 0 311.288 0.640 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)Nc1nccs1 ZINC000170649583 416026998 /nfs/dbraw/zinc/02/69/98/416026998.db2.gz BVYIYTXEHFXLDJ-UHFFFAOYSA-N 0 0 304.379 0.694 10 0 DCAERN Cc1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)ccc1F ZINC000174478403 416079036 /nfs/dbraw/zinc/07/90/36/416079036.db2.gz HXEYKPQAHLKINT-MRXNPFEDSA-N 0 0 310.369 0.947 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)N[C@H]1CCCC[C@@H]1O ZINC000170891489 416036218 /nfs/dbraw/zinc/03/62/18/416036218.db2.gz FSWRHZFJEXXDOD-STQMWFEESA-N 0 0 316.365 0.765 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1C ZINC000171432189 416039104 /nfs/dbraw/zinc/03/91/04/416039104.db2.gz XAOKXFHGXUKOHI-GFCCVEGCSA-N 0 0 309.395 0.988 10 0 DCAERN CCOCC[N@@H+]1CCN(CCCS(N)(=O)=O)C[C@H]1CC ZINC000171574678 416039475 /nfs/dbraw/zinc/03/94/75/416039475.db2.gz ATCDWQUGVLUZGI-CYBMUJFWSA-N 0 0 307.460 0.098 10 0 DCAERN CC(C)(C)N1C[C@H](Nc2nn3c(nccc3=O)s2)CC1=O ZINC000301477353 416083005 /nfs/dbraw/zinc/08/30/05/416083005.db2.gz PFVBGMOFNVYTMU-MRVPVSSYSA-N 0 0 307.379 0.962 10 0 DCAERN CC(C)(C)N1C[C@@H](Nc2nn3c(nccc3=O)s2)CC1=O ZINC000301477354 416083843 /nfs/dbraw/zinc/08/38/43/416083843.db2.gz PFVBGMOFNVYTMU-QMMMGPOBSA-N 0 0 307.379 0.962 10 0 DCAERN Cn1cc(N2CCC[C@@H](Nc3cncc(C(N)=O)n3)C2)cn1 ZINC000301526047 416084669 /nfs/dbraw/zinc/08/46/69/416084669.db2.gz GBPSYYHEFFKZLG-SNVBAGLBSA-N 0 0 301.354 0.390 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN2c2ncc(Cl)cn2)CC1 ZINC000301489339 416084908 /nfs/dbraw/zinc/08/49/08/416084908.db2.gz KZTMUGBCMHRMHB-GFCCVEGCSA-N 0 0 309.801 0.873 10 0 DCAERN CCCCOCCNC(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000174746375 416086667 /nfs/dbraw/zinc/08/66/67/416086667.db2.gz MGEHGWKQNWWINB-LBPRGKRZSA-N 0 0 312.332 0.918 10 0 DCAERN CN(C)C(=O)CCCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000174868798 416088012 /nfs/dbraw/zinc/08/80/12/416088012.db2.gz KEDZTXCMTLCOBN-UHFFFAOYSA-N 0 0 317.353 0.652 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000174790302 416088347 /nfs/dbraw/zinc/08/83/47/416088347.db2.gz JEXVZDBAHCDGSZ-HUUCEWRRSA-N 0 0 322.453 0.284 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@H]([C@@H](C)O)C1 ZINC000301798080 416092834 /nfs/dbraw/zinc/09/28/34/416092834.db2.gz VBLUDTPJCBLMLY-MNOVXSKESA-N 0 0 319.365 0.597 10 0 DCAERN CCc1cc(=O)n2nc(NC3CN(C(=O)OC)C3)sc2n1 ZINC000301778952 416092872 /nfs/dbraw/zinc/09/28/72/416092872.db2.gz RXOJBHUUCHROPK-UHFFFAOYSA-N 0 0 309.351 0.576 10 0 DCAERN COCCCS(=O)(=O)NCCN1CCOc2ccccc21 ZINC000175095538 416095787 /nfs/dbraw/zinc/09/57/87/416095787.db2.gz NRMDTSUEPKMBGX-UHFFFAOYSA-N 0 0 314.407 0.841 10 0 DCAERN CC(C)OCCS(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000175120597 416097520 /nfs/dbraw/zinc/09/75/20/416097520.db2.gz XAQCWIJMXKZEBK-ZDUSSCGKSA-N 0 0 306.428 0.194 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H](n3cncn3)C2)CCC1=O ZINC000175166381 416099896 /nfs/dbraw/zinc/09/98/96/416099896.db2.gz ACMOJQZRIXULLL-RYUDHWBXSA-N 0 0 306.370 0.245 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCNC(=O)C1CC1 ZINC000175329875 416102039 /nfs/dbraw/zinc/10/20/39/416102039.db2.gz QUAPVYZZFPANJM-SNVBAGLBSA-N 0 0 321.425 0.793 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000175298060 416103131 /nfs/dbraw/zinc/10/31/31/416103131.db2.gz CSJVCODDBRYPQF-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN COC[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000175543118 416109465 /nfs/dbraw/zinc/10/94/65/416109465.db2.gz SIVOCVZCIVUKIF-GHMZBOCLSA-N 0 0 305.338 0.873 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCNC(=O)C2CCC2)[C@H](C)C1 ZINC000357644036 416110019 /nfs/dbraw/zinc/11/00/19/416110019.db2.gz MDVDJLKMXRBNKI-GFCCVEGCSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(NCCN1CCOCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175871951 416115366 /nfs/dbraw/zinc/11/53/66/416115366.db2.gz AQIPXUXNJUAKKR-LLVKDONJSA-N 0 0 311.304 0.027 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175912535 416116171 /nfs/dbraw/zinc/11/61/71/416116171.db2.gz IUTINGSCPFSQSC-KGLIPLIRSA-N 0 0 305.378 0.444 10 0 DCAERN COCCOCCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000175918533 416116856 /nfs/dbraw/zinc/11/68/56/416116856.db2.gz HHEFXMNESBPDNM-LLVKDONJSA-N 0 0 312.414 0.930 10 0 DCAERN COCCOCCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000175918551 416117039 /nfs/dbraw/zinc/11/70/39/416117039.db2.gz HHEFXMNESBPDNM-NSHDSACASA-N 0 0 312.414 0.930 10 0 DCAERN CCOc1cccnc1C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000176119191 416120679 /nfs/dbraw/zinc/12/06/79/416120679.db2.gz WCJKPGCIHFAGQQ-UHFFFAOYSA-N 0 0 303.322 0.675 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 ZINC000176429552 416125420 /nfs/dbraw/zinc/12/54/20/416125420.db2.gz BFCHMMTWFTZPDL-UHFFFAOYSA-N 0 0 313.361 0.784 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000357937489 416156657 /nfs/dbraw/zinc/15/66/57/416156657.db2.gz WVSYIPJDAWCTGB-SNVBAGLBSA-N 0 0 304.350 0.870 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000328817772 416134027 /nfs/dbraw/zinc/13/40/27/416134027.db2.gz OBKWCRPPYOOMBX-UKRRQHHQSA-N 0 0 318.421 0.458 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000176778584 416134700 /nfs/dbraw/zinc/13/47/00/416134700.db2.gz AVXIKNGHSIZWPR-GFCCVEGCSA-N 0 0 316.379 0.461 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000328841205 416134799 /nfs/dbraw/zinc/13/47/99/416134799.db2.gz PIICOFYOHDPVMP-ZIAGYGMSSA-N 0 0 317.455 0.368 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871522 416135530 /nfs/dbraw/zinc/13/55/30/416135530.db2.gz DNIJWVXNQPPSNB-LSDHHAIUSA-N 0 0 304.394 0.765 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931358 416139438 /nfs/dbraw/zinc/13/94/38/416139438.db2.gz BDIFZXBUWYXFKM-KGLIPLIRSA-N 0 0 317.393 1.291 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000328918287 416139801 /nfs/dbraw/zinc/13/98/01/416139801.db2.gz AFDNULWKPWOHTB-UJPOAAIJSA-N 0 0 306.366 0.529 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289049 416144340 /nfs/dbraw/zinc/14/43/40/416144340.db2.gz VORLECSLBXAIBF-RYUDHWBXSA-N 0 0 302.465 0.814 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329383014 416166598 /nfs/dbraw/zinc/16/65/98/416166598.db2.gz OSUXSQKXNPGVIG-UPJWGTAASA-N 0 0 314.451 0.752 10 0 DCAERN Cc1nc(SCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n[nH]1 ZINC000178664235 416168719 /nfs/dbraw/zinc/16/87/19/416168719.db2.gz WJQJTCRGTGWAFL-YPMHNXCESA-N 0 0 304.375 0.980 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(C)C ZINC000178690702 416168979 /nfs/dbraw/zinc/16/89/79/416168979.db2.gz KZRQPASFQILZAS-RISCZKNCSA-N 0 0 311.426 0.958 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NCCc2cn[nH]c2)c1 ZINC000358001880 416170187 /nfs/dbraw/zinc/17/01/87/416170187.db2.gz LAFYGSMQCAXXOU-UHFFFAOYSA-N 0 0 315.377 0.854 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000178718563 416170408 /nfs/dbraw/zinc/17/04/08/416170408.db2.gz XXCFVCSAPLAGFL-INWMFGNUSA-N 0 0 318.373 0.256 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)C(C)C ZINC000178928172 416177156 /nfs/dbraw/zinc/17/71/56/416177156.db2.gz KKKPMNQVVLYYOY-CYBMUJFWSA-N 0 0 312.391 0.938 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1ccc(C(N)=O)c(C)c1)C(C)C ZINC000178940914 416177189 /nfs/dbraw/zinc/17/71/89/416177189.db2.gz JEYJWLPZOBDDED-LBPRGKRZSA-N 0 0 306.366 0.986 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000179163892 416183014 /nfs/dbraw/zinc/18/30/14/416183014.db2.gz RUMVJNFTIXUTOL-WZRBSPASSA-N 0 0 306.366 0.741 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000179520314 416188913 /nfs/dbraw/zinc/18/89/13/416188913.db2.gz DHLOZGYFHFJQIG-SECBINFHSA-N 0 0 308.313 0.607 10 0 DCAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179500412 416189475 /nfs/dbraw/zinc/18/94/75/416189475.db2.gz TXBGRPMUASPTFF-OAHLLOKOSA-N 0 0 315.373 0.962 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C)C2 ZINC000181104991 416204536 /nfs/dbraw/zinc/20/45/36/416204536.db2.gz JNPRXDWXUJWXQF-DUFXMDAXSA-N 0 0 301.346 0.943 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181369386 416205412 /nfs/dbraw/zinc/20/54/12/416205412.db2.gz UPFSLWRPEAYCEE-VIFPVBQESA-N 0 0 307.383 0.779 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)C[C@H]([NH3+])c2ccccc2)cn1 ZINC000181400482 416205531 /nfs/dbraw/zinc/20/55/31/416205531.db2.gz IZIAFWILOLWVQL-JKSUJKDBSA-N 0 0 313.405 0.983 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181349458 416206073 /nfs/dbraw/zinc/20/60/73/416206073.db2.gz PSYIBVMPJKYBIH-AWEZNQCLSA-N 0 0 321.425 0.445 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2cc(C3CC3)n[nH]2)cn1 ZINC000181417381 416207688 /nfs/dbraw/zinc/20/76/88/416207688.db2.gz GYFBEFYRIAKFIM-CQSZACIVSA-N 0 0 300.366 0.807 10 0 DCAERN O=C(NCC1CC1)[C@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358179528 416207964 /nfs/dbraw/zinc/20/79/64/416207964.db2.gz AETJODYIHMZYEH-AWEZNQCLSA-N 0 0 319.409 0.900 10 0 DCAERN CN(Cc1nnc(C2CCC2)n1C)C[C@@H](O)CN1CCOCC1 ZINC000181418290 416208121 /nfs/dbraw/zinc/20/81/21/416208121.db2.gz KHCJAZLTVACHAJ-CQSZACIVSA-N 0 0 323.441 0.208 10 0 DCAERN NC(=O)[C@@H](NC(=O)NCCc1cn[nH]c1)c1ccc(F)cc1 ZINC000358186627 416208183 /nfs/dbraw/zinc/20/81/83/416208183.db2.gz NXUZKYFVCPQEJK-LBPRGKRZSA-N 0 0 305.313 0.617 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCc2cn[nH]c2)C[C@H](C)S1(=O)=O ZINC000358193319 416208865 /nfs/dbraw/zinc/20/88/65/416208865.db2.gz JDLUXALNMCNCOS-CMPLNLGQSA-N 0 0 314.411 0.559 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000181623171 416210190 /nfs/dbraw/zinc/21/01/90/416210190.db2.gz QRRQWVMKAFCXBG-KFWWJZLASA-N 0 0 317.389 0.947 10 0 DCAERN COC(=O)[C@@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000348203060 416234382 /nfs/dbraw/zinc/23/43/82/416234382.db2.gz NSNUIUQGTNCQBN-PWSUYJOCSA-N 0 0 304.412 0.199 10 0 DCAERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000182212732 416215853 /nfs/dbraw/zinc/21/58/53/416215853.db2.gz FPDTYSQGYDGMPE-JQWIXIFHSA-N 0 0 302.334 0.543 10 0 DCAERN CCOC(=O)[C@H](CC(C)C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178508 416216204 /nfs/dbraw/zinc/21/62/04/416216204.db2.gz VLLWAAJVPDISSX-RYUDHWBXSA-N 0 0 306.428 0.588 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000182480066 416224908 /nfs/dbraw/zinc/22/49/08/416224908.db2.gz SJZWTNIIKCBBIJ-LBPRGKRZSA-N 0 0 301.350 0.661 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182535142 416226604 /nfs/dbraw/zinc/22/66/04/416226604.db2.gz SILYCESWAALVRT-YPMHNXCESA-N 0 0 306.366 0.647 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000182784321 416231634 /nfs/dbraw/zinc/23/16/34/416231634.db2.gz DQOZYPPRTWQXMN-CBWKGKSXSA-N 0 0 322.430 0.843 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)CCC2CCCC2)C1 ZINC000178122635 416157819 /nfs/dbraw/zinc/15/78/19/416157819.db2.gz KUEMEBAINIKVLK-UHFFFAOYSA-N 0 0 309.410 0.668 10 0 DCAERN Cc1c([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cnn1C ZINC000178116125 416158069 /nfs/dbraw/zinc/15/80/69/416158069.db2.gz LFUCGDIUMNBTOV-KOLCDFICSA-N 0 0 316.365 0.682 10 0 DCAERN COC[C@@H](NC(=O)C(=O)NCCc1cccc(OC)n1)C1CC1 ZINC000357970444 416162773 /nfs/dbraw/zinc/16/27/73/416162773.db2.gz IRTPFRSURGQFQR-CYBMUJFWSA-N 0 0 321.377 0.290 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2ccn3ccnc3c2)C[C@@H](C)O1 ZINC000178405053 416163084 /nfs/dbraw/zinc/16/30/84/416163084.db2.gz IJJJAXLVCYTHNN-VXGBXAGGSA-N 0 0 324.406 0.778 10 0 DCAERN CC(C)c1nnc(CS(=O)(=O)c2n[nH]c(C3CC3)n2)n1C ZINC000183514884 416244103 /nfs/dbraw/zinc/24/41/03/416244103.db2.gz KWAYHLSYVATDTG-UHFFFAOYSA-N 0 0 310.383 0.908 10 0 DCAERN CC(C)C(=O)N1CCCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000184418619 416252099 /nfs/dbraw/zinc/25/20/99/416252099.db2.gz BSPUILZJZTWCND-CHWSQXEVSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NC1CCCC1 ZINC000185926501 416253473 /nfs/dbraw/zinc/25/34/73/416253473.db2.gz ZSHDGLQGVBKGJO-OAHLLOKOSA-N 0 0 310.398 0.485 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)N[C@H]1CCCC(F)(F)C1 ZINC000358587560 416257648 /nfs/dbraw/zinc/25/76/48/416257648.db2.gz MFARDGGBIKHQFA-JTQLQIEISA-N 0 0 304.341 0.295 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000187273906 416261328 /nfs/dbraw/zinc/26/13/28/416261328.db2.gz ZDMNQMZUOTWXGE-UHFFFAOYSA-N 0 0 304.412 0.225 10 0 DCAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C[C@@H]1OC ZINC000189311861 416265919 /nfs/dbraw/zinc/26/59/19/416265919.db2.gz DEWPOQHKXRNPPK-SYQHCUMBSA-N 0 0 312.410 0.678 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1nc(-c2ccoc2)no1 ZINC000189565080 416268249 /nfs/dbraw/zinc/26/82/49/416268249.db2.gz DFXCGVRBHLTARK-CMPLNLGQSA-N 0 0 307.306 0.828 10 0 DCAERN CCOC(C)(C)CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000189662982 416268856 /nfs/dbraw/zinc/26/88/56/416268856.db2.gz QVFFJNUFDAOUPI-UHFFFAOYSA-N 0 0 307.354 0.061 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)[C@H](C)C1 ZINC000358693190 416269143 /nfs/dbraw/zinc/26/91/43/416269143.db2.gz RASYWFQOOJKYJS-OCCSQVGLSA-N 0 0 309.410 0.713 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCCn2cncn2)no1 ZINC000358729060 416275083 /nfs/dbraw/zinc/27/50/83/416275083.db2.gz ZISFWKCDCOTDHW-UHFFFAOYSA-N 0 0 322.325 0.287 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183177542 416236455 /nfs/dbraw/zinc/23/64/55/416236455.db2.gz ONFMNDNVJIRSOB-LBPRGKRZSA-N 0 0 312.395 0.363 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000358447020 416239241 /nfs/dbraw/zinc/23/92/41/416239241.db2.gz PHKCEQLVRLJDOA-JTQLQIEISA-N 0 0 312.320 0.987 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@@H]1C ZINC000193277031 416313960 /nfs/dbraw/zinc/31/39/60/416313960.db2.gz KBRPVUZSDBJYRC-ZDUSSCGKSA-N 0 0 320.393 0.508 10 0 DCAERN CC1=C(C(=O)N2CCN(C3CC3)CC2)[C@@H](C)n2ncnc2N1C ZINC000193219736 416315041 /nfs/dbraw/zinc/31/50/41/416315041.db2.gz SMVKQPHHYNODSR-GFCCVEGCSA-N 0 0 316.409 0.870 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1=O ZINC000192103259 416299230 /nfs/dbraw/zinc/29/92/30/416299230.db2.gz BYAFKPPFMARSAN-JTQLQIEISA-N 0 0 319.365 0.441 10 0 DCAERN C[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1nnc2n1CCCCC2 ZINC000262283852 416336592 /nfs/dbraw/zinc/33/65/92/416336592.db2.gz OCAJSBPGVWKLAC-WZRBSPASSA-N 0 0 307.398 0.559 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)[C@@H](C)OC)C1 ZINC000263420006 416337996 /nfs/dbraw/zinc/33/79/96/416337996.db2.gz WRJSKLJZTUGEJA-QYNFOATHSA-N 0 0 301.387 0.647 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@@H](O)C2(C)C)C1 ZINC000263447872 416338219 /nfs/dbraw/zinc/33/82/19/416338219.db2.gz GISCRGYKTPRTBZ-HTAVTVPLSA-N 0 0 313.398 0.479 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](C)C2)c1 ZINC000359379659 416344395 /nfs/dbraw/zinc/34/43/95/416344395.db2.gz BECHRENZAWLSDU-HZMBPMFUSA-N 0 0 319.361 0.447 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C[C@H]1O ZINC000359382231 416344637 /nfs/dbraw/zinc/34/46/37/416344637.db2.gz DAJZUVOVGFYRQR-GXFFZTMASA-N 0 0 304.346 0.789 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)NC[C@@H](CO)C2CC2)c1 ZINC000359778625 416357614 /nfs/dbraw/zinc/35/76/14/416357614.db2.gz QCFXVPKCXAOOFU-ZDUSSCGKSA-N 0 0 312.391 0.223 10 0 DCAERN O=C(CNS(=O)(=O)c1cccs1)NC[C@H](CO)C1CC1 ZINC000359778742 416357644 /nfs/dbraw/zinc/35/76/44/416357644.db2.gz QWOVELGDVDJUEQ-SNVBAGLBSA-N 0 0 318.420 0.161 10 0 DCAERN CC(C)n1nnnc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000195046873 416325071 /nfs/dbraw/zinc/32/50/71/416325071.db2.gz VWZAXOANSKENKW-GFCCVEGCSA-N 0 0 321.429 0.039 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[C@@H](C)O ZINC000228659414 416327843 /nfs/dbraw/zinc/32/78/43/416327843.db2.gz JMQCAUUHFIAUEM-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@H]1COCCN1CC(F)(F)F ZINC000359778799 416358114 /nfs/dbraw/zinc/35/81/14/416358114.db2.gz RIPBOKWPQVNHBE-WDEREUQCSA-N 0 0 310.316 0.384 10 0 DCAERN O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@H]1COCCN1 ZINC000237845618 416329027 /nfs/dbraw/zinc/32/90/27/416329027.db2.gz PMYNFUJXFQTSIX-GFCCVEGCSA-N 0 0 323.359 0.755 10 0 DCAERN COCCOc1ccc(CNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360492222 416393244 /nfs/dbraw/zinc/39/32/44/416393244.db2.gz QSKFACIWFDLHRQ-UHFFFAOYSA-N 0 0 321.377 0.060 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@](C)(OC)C2CC2)CC1 ZINC000360649789 416400842 /nfs/dbraw/zinc/40/08/42/416400842.db2.gz BFHUGBITJZQYII-MRXNPFEDSA-N 0 0 312.410 0.897 10 0 DCAERN CCO[C@@H](C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360798337 416410990 /nfs/dbraw/zinc/41/09/90/416410990.db2.gz CDLCONXMAQBNQZ-NWDGAFQWSA-N 0 0 318.439 0.732 10 0 DCAERN COc1c(F)cc(CC(=O)N(C)C(C)C)cc1S(N)(=O)=O ZINC000434233347 416464937 /nfs/dbraw/zinc/46/49/37/416464937.db2.gz DZAMSTJWZVEEEF-UHFFFAOYSA-N 0 0 318.370 0.891 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@H]2CCOC[C@H]2OC)n1 ZINC000458499935 416474550 /nfs/dbraw/zinc/47/45/50/416474550.db2.gz CEXCJEAOBCBKQQ-GXTWGEPZSA-N 0 0 323.393 0.983 10 0 DCAERN C[C@H](CNC(=O)NCC(=O)NC1CCCCC1)S(C)(=O)=O ZINC000533129617 416477008 /nfs/dbraw/zinc/47/70/08/416477008.db2.gz YLLJXQMNMHXHBU-SNVBAGLBSA-N 0 0 319.427 0.168 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N1CCC[C@H](O)C1 ZINC000434404669 416477932 /nfs/dbraw/zinc/47/79/32/416477932.db2.gz PQKLKLHWCNOZCC-LBPRGKRZSA-N 0 0 303.366 0.828 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)CC(C)(C)CO)C1 ZINC000458537054 416478037 /nfs/dbraw/zinc/47/80/37/416478037.db2.gz CYJUKLBIZVOQBN-NSHDSACASA-N 0 0 300.403 0.450 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)c2ccccc2)C1 ZINC000533187090 416480746 /nfs/dbraw/zinc/48/07/46/416480746.db2.gz FVVOEMKWGZQLMN-ZIAGYGMSSA-N 0 0 305.378 0.669 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000434645804 416488253 /nfs/dbraw/zinc/48/82/53/416488253.db2.gz NAYARFKPYFSOPR-DZGCQCFKSA-N 0 0 320.389 0.805 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000361099282 416420961 /nfs/dbraw/zinc/42/09/61/416420961.db2.gz ZNERMDLTWBULCC-CQSZACIVSA-N 0 0 320.393 0.901 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000361512476 416442365 /nfs/dbraw/zinc/44/23/65/416442365.db2.gz ZDBWTKVWEYWCBC-WOPDTQHZSA-N 0 0 323.397 0.862 10 0 DCAERN C/C=C/C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361536225 416445024 /nfs/dbraw/zinc/44/50/24/416445024.db2.gz JNOTXTQLXSXUOZ-CHULQOHASA-N 0 0 317.407 0.825 10 0 DCAERN Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCOCC3(CC3)C2)s1 ZINC000582206360 416447386 /nfs/dbraw/zinc/44/73/86/416447386.db2.gz AGNDKFXOPCAJKM-SECBINFHSA-N 0 0 324.406 0.663 10 0 DCAERN O=C1[C@H](Nc2noc(-c3ccccc3)n2)CCCN1CCO ZINC000583215399 416460778 /nfs/dbraw/zinc/46/07/78/416460778.db2.gz HKJNTBHESHSMQM-GFCCVEGCSA-N 0 0 302.334 1.132 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1CCC12CCC2 ZINC000435621811 416529427 /nfs/dbraw/zinc/52/94/27/416529427.db2.gz AEIVJCACJGGSFT-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN CSc1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cn1 ZINC000536505372 416541176 /nfs/dbraw/zinc/54/11/76/416541176.db2.gz YBOIWVRWGAFXRC-VIFPVBQESA-N 0 0 323.378 0.011 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000536554134 416544324 /nfs/dbraw/zinc/54/43/24/416544324.db2.gz MLAFJRXIYFIIHD-SNVBAGLBSA-N 0 0 305.304 0.856 10 0 DCAERN CC(=O)NCCNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000362014001 416545207 /nfs/dbraw/zinc/54/52/07/416545207.db2.gz RGAPHCGZZKLXRL-UHFFFAOYSA-N 0 0 309.345 0.188 10 0 DCAERN CC(C)(O)C1CN(C(=O)NCc2ccccc2OCCO)C1 ZINC000436218196 416552290 /nfs/dbraw/zinc/55/22/90/416552290.db2.gz FGMAFKGSVLQGIK-UHFFFAOYSA-N 0 0 308.378 0.970 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)[nH]n1 ZINC000534259263 416495352 /nfs/dbraw/zinc/49/53/52/416495352.db2.gz PDAGIYBLZJBDHV-QMMMGPOBSA-N 0 0 300.322 0.827 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)NC(C1CCC1)C1CCC1 ZINC000458776796 416498063 /nfs/dbraw/zinc/49/80/63/416498063.db2.gz ODWHHJFYSIHIJX-CYBMUJFWSA-N 0 0 307.398 0.907 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cn1 ZINC000361850559 416508710 /nfs/dbraw/zinc/50/87/10/416508710.db2.gz RJPDTDRKBGHAQY-VXNVDRBHSA-N 0 0 316.308 0.671 10 0 DCAERN Cn1ccc(CNC(=O)NCCN2C(=O)Cc3ccccc32)n1 ZINC000535023015 416513570 /nfs/dbraw/zinc/51/35/70/416513570.db2.gz KWDGELWQRLSDNQ-UHFFFAOYSA-N 0 0 313.361 0.809 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCC(C)(O)CC1 ZINC000361872164 416515128 /nfs/dbraw/zinc/51/51/28/416515128.db2.gz DZFOVAHMKLTUHA-UHFFFAOYSA-N 0 0 308.382 0.855 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N(C)Cc2nc[nH]n2)c1 ZINC000435279463 416516635 /nfs/dbraw/zinc/51/66/35/416516635.db2.gz JLMPYPANVQRJNN-UHFFFAOYSA-N 0 0 307.285 0.550 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000361900460 416518259 /nfs/dbraw/zinc/51/82/59/416518259.db2.gz GWHOYEGCWGFDKO-PWSUYJOCSA-N 0 0 308.382 0.711 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cn1 ZINC000361891256 416519076 /nfs/dbraw/zinc/51/90/76/416519076.db2.gz WPSMGTQVYJUIQO-BONVTDFDSA-N 0 0 322.365 0.196 10 0 DCAERN C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000362221818 416565784 /nfs/dbraw/zinc/56/57/84/416565784.db2.gz QGXWOWZTTINKIZ-QWRGUYRKSA-N 0 0 307.398 1.524 10 0 DCAERN C[C@H](CNC(=O)NCCc1ccccc1O)S(C)(=O)=O ZINC000540967102 416600210 /nfs/dbraw/zinc/60/02/10/416600210.db2.gz PWRDYMKPNOEEAZ-SNVBAGLBSA-N 0 0 300.380 0.667 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000439181174 416608625 /nfs/dbraw/zinc/60/86/25/416608625.db2.gz ZOIQLZCFTNWAIG-UHFFFAOYSA-N 0 0 316.383 0.292 10 0 DCAERN C[C@@H](Cc1ccncc1)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000541809310 416613511 /nfs/dbraw/zinc/61/35/11/416613511.db2.gz BPMAZSAZHKSZJT-ZFWWWQNUSA-N 0 0 304.394 0.739 10 0 DCAERN CCCCS(=O)(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000539775354 416581720 /nfs/dbraw/zinc/58/17/20/416581720.db2.gz PKKSLKCUUARWHJ-UHFFFAOYSA-N 0 0 301.416 0.361 10 0 DCAERN C[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440133976 416626628 /nfs/dbraw/zinc/62/66/28/416626628.db2.gz NRLBHMHBZAFVEN-MNOVXSKESA-N 0 0 307.398 1.524 10 0 DCAERN CC(=O)Nc1ccc(C)c(C(=O)N(C)Cc2nnnn2C)c1 ZINC000440488082 416636728 /nfs/dbraw/zinc/63/67/28/416636728.db2.gz QQSLCIIBMLQWPJ-UHFFFAOYSA-N 0 0 302.338 0.749 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364621 416638311 /nfs/dbraw/zinc/63/83/11/416638311.db2.gz JKFHEDCTGYFORL-LLVKDONJSA-N 0 0 310.402 0.875 10 0 DCAERN Cn1c2ccc(C(=O)N3CCN4CCOC[C@@H]4C3)cc2[nH]c1=O ZINC000544583653 416657753 /nfs/dbraw/zinc/65/77/53/416657753.db2.gz YDEPCOSPUDAUDT-LBPRGKRZSA-N 0 0 316.361 0.436 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@@H]2CC[S@](=O)C2)cccc1N(C)C ZINC000441188310 416664257 /nfs/dbraw/zinc/66/42/57/416664257.db2.gz KCKMZYMQBVUTHZ-XFNZEKPQSA-N 0 0 323.418 0.637 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000441263240 416668009 /nfs/dbraw/zinc/66/80/09/416668009.db2.gz QMHMBRXWBIEFGB-CYBMUJFWSA-N 0 0 322.409 0.653 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H](C)CS(C)(=O)=O)n1 ZINC000441473157 416673788 /nfs/dbraw/zinc/67/37/88/416673788.db2.gz COXWPCNZEAAYBU-SNVBAGLBSA-N 0 0 315.395 0.365 10 0 DCAERN O=C(NCC[C@@H]1CCCCO1)C(=O)N1CCOCC2(CC2)C1 ZINC000516801779 416744571 /nfs/dbraw/zinc/74/45/71/416744571.db2.gz YYRAIUCNIYCBIZ-ZDUSSCGKSA-N 0 0 310.394 0.701 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Cn2c(C)cc(O)cc2=O)no1 ZINC000443367469 416752563 /nfs/dbraw/zinc/75/25/63/416752563.db2.gz HIAOSHNFKKAMCR-UHFFFAOYSA-N 0 0 320.349 0.859 10 0 DCAERN C[C@H](CO)N(CC(=O)Nc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000443348412 416752849 /nfs/dbraw/zinc/75/28/49/416752849.db2.gz RCSGVJFFTLCUCH-MNOVXSKESA-N 0 0 310.350 0.417 10 0 DCAERN COC[C@@](C)(O)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000515027880 416688023 /nfs/dbraw/zinc/68/80/23/416688023.db2.gz FSIXRJFCBJJDKI-WBMJQRKESA-N 0 0 324.377 0.913 10 0 DCAERN C[C@H](NC(=O)N(C)CCCO)c1cccc(S(N)(=O)=O)c1 ZINC000442369770 416693172 /nfs/dbraw/zinc/69/31/72/416693172.db2.gz ZYLHTWDUJRWXRS-JTQLQIEISA-N 0 0 315.395 0.419 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000442578869 416698341 /nfs/dbraw/zinc/69/83/41/416698341.db2.gz VKGXAOOHSVWDCD-QJPTWQEYSA-N 0 0 310.398 0.354 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000516616724 416729999 /nfs/dbraw/zinc/72/99/99/416729999.db2.gz OHIFAZKAOUCWEQ-YPMHNXCESA-N 0 0 303.318 0.552 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000557383054 416733750 /nfs/dbraw/zinc/73/37/50/416733750.db2.gz LVZLRQRMJPJDQK-NSHDSACASA-N 0 0 324.344 0.670 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000623150814 416756184 /nfs/dbraw/zinc/75/61/84/416756184.db2.gz OFSKYXPCNANMLS-IGQOVBAYSA-N 0 0 323.393 0.950 10 0 DCAERN CC(=O)c1ccccc1C(=O)N1CCn2nnc(CO)c2C1 ZINC000615097244 416759347 /nfs/dbraw/zinc/75/93/47/416759347.db2.gz YDGOMODKOMZNKQ-UHFFFAOYSA-N 0 0 300.318 0.629 10 0 DCAERN NC(=O)C[C@H]1CCCCN1C(=O)CSc1nnnn1C1CC1 ZINC000623182685 416763599 /nfs/dbraw/zinc/76/35/99/416763599.db2.gz JHDCXCRLVPQSGI-SNVBAGLBSA-N 0 0 324.410 0.357 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1nnc2ccccn21)[C@H](C)CO ZINC000443537612 416766027 /nfs/dbraw/zinc/76/60/27/416766027.db2.gz DFFZBIFCSFPCMU-GHMZBOCLSA-N 0 0 307.354 0.003 10 0 DCAERN CC(=O)c1ncc(C(=O)N2CC(CN3CCOCC3)C2)s1 ZINC000615148782 416773630 /nfs/dbraw/zinc/77/36/30/416773630.db2.gz RIKQFJIBBWUPDF-UHFFFAOYSA-N 0 0 309.391 0.750 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623269580 416785985 /nfs/dbraw/zinc/78/59/85/416785985.db2.gz NYMROIYYSKUSSG-CJNGLKHVSA-N 0 0 310.357 0.902 10 0 DCAERN Nc1nc(N[C@@H]2CCCN(CCO)C2=O)nc2ccccc12 ZINC000558688311 416789552 /nfs/dbraw/zinc/78/95/52/416789552.db2.gz KBYBXPUPIRANSJ-GFCCVEGCSA-N 0 0 301.350 0.607 10 0 DCAERN CCNC(=O)N1CC[C@H](N2C(=O)[C@H]3CSCCN3C2=O)C1 ZINC000559374879 416814209 /nfs/dbraw/zinc/81/42/09/416814209.db2.gz NOJMJQKYEPKALM-VHSXEESVSA-N 0 0 312.395 0.170 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000517641834 416815304 /nfs/dbraw/zinc/81/53/04/416815304.db2.gz OKGXVFNNCFHMKT-CYBMUJFWSA-N 0 0 317.349 0.650 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2(O)CCSCC2)C1 ZINC000370090068 416881206 /nfs/dbraw/zinc/88/12/06/416881206.db2.gz DUJFNRFZOMDYDD-LBPRGKRZSA-N 0 0 324.450 0.763 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N2CC(O)(CO)C2)cc1 ZINC000615426830 416828228 /nfs/dbraw/zinc/82/82/28/416828228.db2.gz NJOZIRYIGZZYDY-UHFFFAOYSA-N 0 0 307.346 0.153 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)c1 ZINC000445969455 416908176 /nfs/dbraw/zinc/90/81/76/416908176.db2.gz QDJZJMDTWOTZKP-KGLIPLIRSA-N 0 0 317.345 0.961 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ncns3)CC2)C1 ZINC000615802146 416914216 /nfs/dbraw/zinc/91/42/16/416914216.db2.gz MCUFEOXDPVBDBY-AWEZNQCLSA-N 0 0 323.422 0.445 10 0 DCAERN CCN(C(=O)c1cc(OC)c(OC)cc1C)[C@H]1CC(=O)NC1=O ZINC000446135758 416915517 /nfs/dbraw/zinc/91/55/17/416915517.db2.gz HZBAKSIBYFZNSU-NSHDSACASA-N 0 0 320.345 0.889 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@@H](C)C2CC2)C1 ZINC000446115360 416915771 /nfs/dbraw/zinc/91/57/71/416915771.db2.gz BJUVHXWLXRIWOT-OUCADQQQSA-N 0 0 300.399 0.840 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@@H](C)C2CC2)C1 ZINC000446115361 416916191 /nfs/dbraw/zinc/91/61/91/416916191.db2.gz BJUVHXWLXRIWOT-SGMGOOAPSA-N 0 0 300.399 0.840 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](C)CN1CCOCC1 ZINC000615818412 416916396 /nfs/dbraw/zinc/91/63/96/416916396.db2.gz NJZDDSXNJGJTBO-TUVASFSCSA-N 0 0 324.421 0.755 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2c1cnn2CCO ZINC000632139748 416924866 /nfs/dbraw/zinc/92/48/66/416924866.db2.gz UTQMZKSRVJOKGD-ZFWWWQNUSA-N 0 0 320.393 0.380 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000372073355 416929355 /nfs/dbraw/zinc/92/93/55/416929355.db2.gz MLYPLXCWAGRCRD-KGLIPLIRSA-N 0 0 316.467 1.000 10 0 DCAERN COCCCn1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000373174911 416947868 /nfs/dbraw/zinc/94/78/68/416947868.db2.gz XRRVMFXUEFJTRG-UHFFFAOYSA-N 0 0 320.393 1.403 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncsc2Br)CC(=O)N1 ZINC000565216631 416949460 /nfs/dbraw/zinc/94/94/60/416949460.db2.gz XIOQDHLKGPLHCI-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN CC(C)Cn1nccc1NC(=O)C(=O)N1CC[C@H](CCO)C1 ZINC000446806923 416949533 /nfs/dbraw/zinc/94/95/33/416949533.db2.gz UMUISXHEYNZKDL-GFCCVEGCSA-N 0 0 308.382 0.709 10 0 DCAERN CN(C(=O)C(=O)Nc1ncn(C(C)(C)C)n1)[C@@H]1CCSC1 ZINC000446825545 416952453 /nfs/dbraw/zinc/95/24/53/416952453.db2.gz CMUNOJNGPLMMRD-SECBINFHSA-N 0 0 311.411 0.936 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000521717869 417024211 /nfs/dbraw/zinc/02/42/11/417024211.db2.gz JNXCXBWESDJLAC-JTQLQIEISA-N 0 0 317.349 0.256 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCCc2ncn(C)n2)c1 ZINC000447209608 416969683 /nfs/dbraw/zinc/96/96/83/416969683.db2.gz SPJLEVPTAAGKRT-UHFFFAOYSA-N 0 0 321.312 0.260 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000375686272 417007194 /nfs/dbraw/zinc/00/71/94/417007194.db2.gz BAAPEQZGNMBHTB-KBPBESRZSA-N 0 0 305.382 0.843 10 0 DCAERN Cc1nn(C)cc1CC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000448780934 417098418 /nfs/dbraw/zinc/09/84/18/417098418.db2.gz HDIGMCQQPGDXSS-UHFFFAOYSA-N 0 0 318.352 0.956 10 0 DCAERN Cc1ccc(NCCCNC(=O)N2CC[C@@H](CC(N)=O)C2)nc1 ZINC000376631870 417035462 /nfs/dbraw/zinc/03/54/62/417035462.db2.gz IAULGCFNIFSKEQ-ZDUSSCGKSA-N 0 0 319.409 1.099 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)n1 ZINC000377309198 417054430 /nfs/dbraw/zinc/05/44/30/417054430.db2.gz IIRVRJWOMKJBOG-LBPRGKRZSA-N 0 0 315.381 0.679 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)n1 ZINC000377309196 417055476 /nfs/dbraw/zinc/05/54/76/417055476.db2.gz IIRVRJWOMKJBOG-GFCCVEGCSA-N 0 0 315.381 0.679 10 0 DCAERN NS(=O)(=O)N1CCC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616617934 417083791 /nfs/dbraw/zinc/08/37/91/417083791.db2.gz NHEOCHMMDOAKKK-NSHDSACASA-N 0 0 304.393 0.128 10 0 DCAERN Nc1cc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616603137 417085274 /nfs/dbraw/zinc/08/52/74/417085274.db2.gz FGSORRBWYUTYCB-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN CC(=O)Nc1cccc([C@@H]2COCCCN2S(N)(=O)=O)c1 ZINC000616648567 417087240 /nfs/dbraw/zinc/08/72/40/417087240.db2.gz PADQFACFVMJVAH-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](S(C)(=O)=O)C1 ZINC000616647488 417088454 /nfs/dbraw/zinc/08/84/54/417088454.db2.gz UENQLKKZILFYMW-JTQLQIEISA-N 0 0 308.400 0.214 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616666784 417094143 /nfs/dbraw/zinc/09/41/43/417094143.db2.gz WIFIFDQQINSXBZ-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000448702390 417095847 /nfs/dbraw/zinc/09/58/47/417095847.db2.gz SRWUGTVTZZAGLV-UHFFFAOYSA-N 0 0 321.425 0.877 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1 ZINC000431072711 417104116 /nfs/dbraw/zinc/10/41/16/417104116.db2.gz ZHJRAWVARVPGFB-SNVBAGLBSA-N 0 0 300.380 0.719 10 0 DCAERN O=S(=O)(CC1CCCCC1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404116095 417117270 /nfs/dbraw/zinc/11/72/70/417117270.db2.gz GBFKEKRLHZBYLV-KBPBESRZSA-N 0 0 302.440 0.959 10 0 DCAERN COc1cc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)on1 ZINC000616864409 417122157 /nfs/dbraw/zinc/12/21/57/417122157.db2.gz BZVAYTDWNTXSMC-LLVKDONJSA-N 0 0 308.338 0.906 10 0 DCAERN COC(=O)c1nc(NCCN2CCCS2(=O)=O)sc1C ZINC000406009069 417129213 /nfs/dbraw/zinc/12/92/13/417129213.db2.gz UAIBONGJXXTZHH-UHFFFAOYSA-N 0 0 319.408 0.686 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000408006489 417133486 /nfs/dbraw/zinc/13/34/86/417133486.db2.gz BBMUVKOWKQLWKT-LLVKDONJSA-N 0 0 313.427 0.825 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000408021422 417133916 /nfs/dbraw/zinc/13/39/16/417133916.db2.gz MSYYSILIKHKVNN-WDEREUQCSA-N 0 0 313.423 0.377 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000408069469 417135644 /nfs/dbraw/zinc/13/56/44/417135644.db2.gz BQTCDFICINDNIK-KCQAQPDRSA-N 0 0 311.426 0.301 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)N1CCOCC1 ZINC000408081025 417139122 /nfs/dbraw/zinc/13/91/22/417139122.db2.gz QMTARYCJAQCLIB-CHWSQXEVSA-N 0 0 319.409 0.486 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)nn1C ZINC000408080707 417139730 /nfs/dbraw/zinc/13/97/30/417139730.db2.gz PKDUDAJKTPNZFS-LLVKDONJSA-N 0 0 300.366 1.121 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1O ZINC000408095782 417140802 /nfs/dbraw/zinc/14/08/02/417140802.db2.gz QFXUXBRRYVTKHR-QWRGUYRKSA-N 0 0 309.366 0.080 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408431750 417162294 /nfs/dbraw/zinc/16/22/94/417162294.db2.gz BKHBRWBKLVCKQO-KGLIPLIRSA-N 0 0 319.471 0.494 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367863 417146359 /nfs/dbraw/zinc/14/63/59/417146359.db2.gz ZKWMCFJVZWTWMR-ZDUSSCGKSA-N 0 0 308.382 0.871 10 0 DCAERN Cc1cc(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)no1 ZINC000408174607 417147546 /nfs/dbraw/zinc/14/75/46/417147546.db2.gz SRLVNJSMQNGJLA-NSHDSACASA-N 0 0 324.406 1.555 10 0 DCAERN CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)onc2N)[C@@H](C)C1 ZINC000408206044 417148628 /nfs/dbraw/zinc/14/86/28/417148628.db2.gz MRKFANRMPCDZMP-GXSJLCMTSA-N 0 0 316.427 0.916 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCCC1 ZINC000408238088 417148680 /nfs/dbraw/zinc/14/86/80/417148680.db2.gz SVSTYIBFJCEBCK-QWRGUYRKSA-N 0 0 320.411 0.416 10 0 DCAERN c1ccc2c(c1)OC[C@@H](CN1CCN(c3nccnn3)CC1)O2 ZINC000625637168 417149819 /nfs/dbraw/zinc/14/98/19/417149819.db2.gz IZKYDUYFNWFIFV-CYBMUJFWSA-N 0 0 313.361 0.834 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)CC(=O)N1 ZINC000408276089 417150498 /nfs/dbraw/zinc/15/04/98/417150498.db2.gz FAFWPOUQINLPFD-JFILPPLUSA-N 0 0 310.394 0.698 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CSCCN1C(=O)[C@H]1COCCO1 ZINC000408302161 417153436 /nfs/dbraw/zinc/15/34/36/417153436.db2.gz DZSHWIMGVQYVNQ-WDEREUQCSA-N 0 0 317.407 0.688 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000408335948 417156131 /nfs/dbraw/zinc/15/61/31/417156131.db2.gz KONVBGMSYITLKM-RYUDHWBXSA-N 0 0 317.407 0.770 10 0 DCAERN CN(CCCO)C(=O)C(=O)NCCc1ccc(F)cc1F ZINC000568777013 417178595 /nfs/dbraw/zinc/17/85/95/417178595.db2.gz AYEVBPIOSUSODE-UHFFFAOYSA-N 0 0 300.305 0.464 10 0 DCAERN COC[C@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)OC ZINC000617229780 417181803 /nfs/dbraw/zinc/18/18/03/417181803.db2.gz NJXSRKUCDAEUEM-VIFPVBQESA-N 0 0 322.408 0.177 10 0 DCAERN O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCOCC1 ZINC000568939327 417193465 /nfs/dbraw/zinc/19/34/65/417193465.db2.gz NBRUKKUWFVROJQ-INIZCTEOSA-N 0 0 320.389 0.625 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N(C)Cc1cnccn1 ZINC000438027667 287366073 /nfs/dbraw/zinc/36/60/73/287366073.db2.gz AROOUZXGYGQXGS-UHFFFAOYSA-N 0 0 302.334 0.701 10 0 DCAERN CC[C@]1(O)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000632666006 417218909 /nfs/dbraw/zinc/21/89/09/417218909.db2.gz JNMPLTHGTMPYHB-XQQFMLRXSA-N 0 0 306.428 0.577 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCO[C@H](C(N)=O)C1)CC2 ZINC000527240617 417226817 /nfs/dbraw/zinc/22/68/17/417226817.db2.gz QELWEMLRTLYGJP-GWCFXTLKSA-N 0 0 320.393 0.351 10 0 DCAERN CN1CCN(c2cc(NCCOCC3CCC3)ncn2)CC1=O ZINC000569640789 417280443 /nfs/dbraw/zinc/28/04/43/417280443.db2.gz AXYZUXVMLZMPBO-UHFFFAOYSA-N 0 0 319.409 0.984 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)NCC2CCC2)CC12COC2 ZINC000451135363 417306915 /nfs/dbraw/zinc/30/69/15/417306915.db2.gz MKCWQJBLRBEDSX-ZDUSSCGKSA-N 0 0 310.394 0.414 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccc(C)o1 ZINC000643703947 417310560 /nfs/dbraw/zinc/31/05/60/417310560.db2.gz GUNOFIIBQFUXPL-ZDUSSCGKSA-N 0 0 316.379 0.504 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccoc1 ZINC000643704578 417310877 /nfs/dbraw/zinc/31/08/77/417310877.db2.gz VMPCHGJLWBIRCJ-GFCCVEGCSA-N 0 0 302.352 0.195 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000643720033 417321504 /nfs/dbraw/zinc/32/15/04/417321504.db2.gz SEIOKXLHJGWVCE-KOLCDFICSA-N 0 0 311.367 0.294 10 0 DCAERN O=S(=O)(CCC1CCCC1)N1CCN(CCCO)CC1 ZINC000451375825 417338209 /nfs/dbraw/zinc/33/82/09/417338209.db2.gz MXLHKYGMILYLSY-UHFFFAOYSA-N 0 0 304.456 0.897 10 0 DCAERN CC(=O)CN(C(=O)CC1(n2cnnn2)CCOCC1)C(C)C ZINC000633219831 417391645 /nfs/dbraw/zinc/39/16/45/417391645.db2.gz WVQWAHNNKXUVCC-UHFFFAOYSA-N 0 0 309.370 0.395 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccco2)CC12COC2 ZINC000451618092 417365694 /nfs/dbraw/zinc/36/56/94/417365694.db2.gz DDMPPKPGLKBMHT-SNVBAGLBSA-N 0 0 315.347 0.480 10 0 DCAERN CCCCS(=O)(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451620389 417366556 /nfs/dbraw/zinc/36/65/56/417366556.db2.gz OAJFYNXNNVYQGF-LLVKDONJSA-N 0 0 305.396 0.628 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CC12COC2 ZINC000452224532 417460436 /nfs/dbraw/zinc/46/04/36/417460436.db2.gz PIMSUMQXZBRLFR-RYUDHWBXSA-N 0 0 324.377 0.083 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@H](C)C(=O)OC)CC12COC2 ZINC000452250844 417461458 /nfs/dbraw/zinc/46/14/58/417461458.db2.gz CKOOMKVRXGOHTO-WDEREUQCSA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@@H](C)C(=O)OC)CC12COC2 ZINC000452250838 417462310 /nfs/dbraw/zinc/46/23/10/417462310.db2.gz CKOOMKVRXGOHTO-GHMZBOCLSA-N 0 0 313.350 0.224 10 0 DCAERN Cn1c(C(=O)N[C@@H]2CCC(=O)NC2(C)C)c2n(c1=O)CCCC2 ZINC000622587934 417463407 /nfs/dbraw/zinc/46/34/07/417463407.db2.gz SGCVVJSRIQKYTR-LLVKDONJSA-N 0 0 320.393 0.310 10 0 DCAERN Cn1c(C(=O)N[C@H]2CCC(=O)NC2(C)C)c2n(c1=O)CCCC2 ZINC000622587935 417463665 /nfs/dbraw/zinc/46/36/65/417463665.db2.gz SGCVVJSRIQKYTR-NSHDSACASA-N 0 0 320.393 0.310 10 0 DCAERN Cn1nnc(CNc2ncnc3ccc(Br)cc32)n1 ZINC000573659815 417474387 /nfs/dbraw/zinc/47/43/87/417474387.db2.gz IBZXQPFNHOACJK-UHFFFAOYSA-N 0 0 320.154 1.528 10 0 DCAERN CC1(C)O[C@H]2CO[C@@](O)(CO)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000575627366 417540665 /nfs/dbraw/zinc/54/06/65/417540665.db2.gz IAUQVXMYMFREHC-YXWQFLTLSA-N 0 0 310.346 0.803 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(C)on2)CC12COC2 ZINC000454172235 417548799 /nfs/dbraw/zinc/54/87/99/417548799.db2.gz CXQFCXSJXNNEAE-JTQLQIEISA-N 0 0 309.322 1.026 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000633869335 417500700 /nfs/dbraw/zinc/50/07/00/417500700.db2.gz WYOPVWHYFFTCAQ-MWLCHTKSSA-N 0 0 302.330 0.898 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](CC)C(F)F ZINC000454874641 417583931 /nfs/dbraw/zinc/58/39/31/417583931.db2.gz LINCZALLIYVTNX-VGMNWLOBSA-N 0 0 323.340 0.786 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)CC3(O)CCCC3)CC2)[nH]1 ZINC000530584924 417584110 /nfs/dbraw/zinc/58/41/10/417584110.db2.gz CDZCTWQHYKSXMP-UHFFFAOYSA-N 0 0 307.398 0.453 10 0 DCAERN O=C(NCCc1cn[nH]c1)NC[C@@H](O)Cc1cccc(F)c1 ZINC000454973453 417587870 /nfs/dbraw/zinc/58/78/70/417587870.db2.gz MNMLERXRIANYTN-AWEZNQCLSA-N 0 0 306.341 0.994 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCN(CCO)C[C@H]2C)nc1 ZINC000455111382 417593350 /nfs/dbraw/zinc/59/33/50/417593350.db2.gz RWQVDRDJZOBTHV-LLVKDONJSA-N 0 0 306.366 0.815 10 0 DCAERN COc1ncccc1C(=O)N1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000628258296 417598467 /nfs/dbraw/zinc/59/84/67/417598467.db2.gz XAMKKJDKRZJKBR-CHWSQXEVSA-N 0 0 318.333 0.088 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCCSC)CC12COC2 ZINC000454523161 417565124 /nfs/dbraw/zinc/56/51/24/417565124.db2.gz OEDUAGJCAZDUMA-LLVKDONJSA-N 0 0 316.423 0.961 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CCN2CCOC[C@@H]2C1 ZINC000530433525 417575032 /nfs/dbraw/zinc/57/50/32/417575032.db2.gz DTPXCXXVKRGTBR-HNNXBMFYSA-N 0 0 311.426 0.032 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)[C@@H]1CCOC1 ZINC000440191791 287394092 /nfs/dbraw/zinc/39/40/92/287394092.db2.gz RWMSZWOYEOFTKY-GHMZBOCLSA-N 0 0 306.366 0.627 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N(CCO)CCCO)s1 ZINC000440304548 287397835 /nfs/dbraw/zinc/39/78/35/287397835.db2.gz HJVPFQNPIBWRSP-UHFFFAOYSA-N 0 0 315.395 0.156 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCOCC1CCCC1 ZINC000457164098 417692765 /nfs/dbraw/zinc/69/27/65/417692765.db2.gz SUISUPSUFAFYMQ-QGZVFWFLSA-N 0 0 322.405 0.922 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1nnnn1C ZINC000532072551 417656871 /nfs/dbraw/zinc/65/68/71/417656871.db2.gz HTIGTJBUMWKBBE-QWHCGFSZSA-N 0 0 306.414 0.823 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)Cc1nnnn1C ZINC000532327022 417672444 /nfs/dbraw/zinc/67/24/44/417672444.db2.gz NKLZWCJGIPVOIH-XQHKEYJVSA-N 0 0 308.430 0.971 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000577695673 417680876 /nfs/dbraw/zinc/68/08/76/417680876.db2.gz VJQPTHOWUCILMZ-UHFFFAOYSA-N 0 0 320.393 1.330 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccncc1Br ZINC000629233910 417764317 /nfs/dbraw/zinc/76/43/17/417764317.db2.gz IHUKQRLSUZGQPQ-VHSXEESVSA-N 0 0 301.140 0.724 10 0 DCAERN CC(C)Oc1cccc(C(=O)NC[C@@H](O)Cn2ccnn2)n1 ZINC000458124795 417722795 /nfs/dbraw/zinc/72/27/95/417722795.db2.gz APQVCCWGDIZNAR-LLVKDONJSA-N 0 0 305.338 0.251 10 0 DCAERN Cc1nc(C(C)C)ccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458130097 417724026 /nfs/dbraw/zinc/72/40/26/417724026.db2.gz FSPWNKBXICPUKT-LBPRGKRZSA-N 0 0 303.366 0.896 10 0 DCAERN CCOCCC1(C(=O)NC[C@H](O)Cn2ccnn2)CCCC1 ZINC000458129217 417724135 /nfs/dbraw/zinc/72/41/35/417724135.db2.gz FASLHDGQFCUBGI-ZDUSSCGKSA-N 0 0 310.398 0.742 10 0 DCAERN CC(C)(C)c1nc(C(=O)NC[C@@H](O)Cn2ccnn2)cs1 ZINC000458147275 417724839 /nfs/dbraw/zinc/72/48/39/417724839.db2.gz SGFMNKZYGFAFFZ-SECBINFHSA-N 0 0 309.395 0.823 10 0 DCAERN CC(C)O[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458140422 417724924 /nfs/dbraw/zinc/72/49/24/417724924.db2.gz NKFPEEHHJRGCCR-CABCVRRESA-N 0 0 318.377 0.922 10 0 DCAERN CCCN(C)c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458145081 417725135 /nfs/dbraw/zinc/72/51/35/417725135.db2.gz QTVXJTUWNAJIRA-HNNXBMFYSA-N 0 0 317.393 0.915 10 0 DCAERN Cc1ccc(C[C@@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458149933 417725317 /nfs/dbraw/zinc/72/53/17/417725317.db2.gz VDAFSUHEWKKHBH-UKRRQHHQSA-N 0 0 302.378 0.942 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000640803454 417918248 /nfs/dbraw/zinc/91/82/48/417918248.db2.gz VNKBDVQQSNOHCN-UTUOFQBUSA-N 0 0 304.412 0.172 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000664267570 418107073 /nfs/dbraw/zinc/10/70/73/418107073.db2.gz LGWVTUNQWYLUJA-VXGBXAGGSA-N 0 0 319.404 0.314 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncncc1Br ZINC000664272237 418107992 /nfs/dbraw/zinc/10/79/92/418107992.db2.gz ZYFZCOLHRXLECQ-YUMQZZPRSA-N 0 0 322.184 0.463 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000660012565 418218079 /nfs/dbraw/zinc/21/80/79/418218079.db2.gz MPRVUTJXDWSPKQ-IGQOVBAYSA-N 0 0 303.424 0.425 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)CSC ZINC000488332155 287549526 /nfs/dbraw/zinc/54/95/26/287549526.db2.gz SOJCVJNCSPNMAD-BBBLOLIVSA-N 0 0 304.412 0.558 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1CCCO1 ZINC000488245922 287547502 /nfs/dbraw/zinc/54/75/02/287547502.db2.gz HAQMXHDOZCKNGN-DCAQKATOSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cc(C)on1 ZINC000488289488 287548461 /nfs/dbraw/zinc/54/84/61/287548461.db2.gz UEBIWHAYBKIDIT-UWVGGRQHSA-N 0 0 311.338 0.098 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)NCCCc1nnc2ccccn21 ZINC000489514982 287554371 /nfs/dbraw/zinc/55/43/71/287554371.db2.gz NZHZHUFJCMWBKR-JTQLQIEISA-N 0 0 304.354 0.225 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C ZINC000298485507 228575324 /nfs/dbraw/zinc/57/53/24/228575324.db2.gz QEOQLMGHOJAPGH-CHWSQXEVSA-N 0 0 307.398 0.597 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744837 229383800 /nfs/dbraw/zinc/38/38/00/229383800.db2.gz QEEPAAFQIHUJBW-HZMBPMFUSA-N 0 0 307.354 0.110 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCC[C@@H](n3cccn3)C2)s1 ZINC000301193464 229553308 /nfs/dbraw/zinc/55/33/08/229553308.db2.gz SPVKTFLQJHRYFA-SECBINFHSA-N 0 0 313.408 0.829 10 0 DCAERN C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccn1 ZINC000028930295 261104848 /nfs/dbraw/zinc/10/48/48/261104848.db2.gz OJEMFMGKPHLIME-NSHDSACASA-N 0 0 324.340 0.962 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)C3(O)CCCC3)CC2)n1 ZINC000111621400 261108673 /nfs/dbraw/zinc/10/86/73/261108673.db2.gz WAHHXTJJUNZNMS-LLVKDONJSA-N 0 0 308.382 0.888 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)N[C@H]3CCOC3)CCO2)n1 ZINC000179164621 261111888 /nfs/dbraw/zinc/11/18/88/261111888.db2.gz QVBRFAUZELAVPF-UONOGXRCSA-N 0 0 308.382 0.699 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1 ZINC000179152893 261111918 /nfs/dbraw/zinc/11/19/18/261111918.db2.gz ZHPXGTPOXXCDJW-KGLIPLIRSA-N 0 0 305.378 0.774 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000179462351 261112604 /nfs/dbraw/zinc/11/26/04/261112604.db2.gz PZVJEKWKLJLOET-UHFFFAOYSA-N 0 0 314.345 0.676 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CCN1CC(F)F ZINC000179668519 261114141 /nfs/dbraw/zinc/11/41/41/261114141.db2.gz FJTCWQWRZMVFJC-WDEREUQCSA-N 0 0 318.368 0.588 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)cc1F ZINC000180848701 261114551 /nfs/dbraw/zinc/11/45/51/261114551.db2.gz ZLKGPFHEXZTHFT-UHFFFAOYSA-N 0 0 321.352 0.969 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CC(=O)NC1CC1 ZINC000184727526 261119728 /nfs/dbraw/zinc/11/97/28/261119728.db2.gz PPLFZHUMSXVZRZ-OAHLLOKOSA-N 0 0 305.353 0.886 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[S@@]1=O ZINC000186769817 261122003 /nfs/dbraw/zinc/12/20/03/261122003.db2.gz IDRKHGZFDWWBLQ-WLRWDXFRSA-N 0 0 323.480 0.817 10 0 DCAERN CO[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CC[C@H]1C ZINC000187414007 261123610 /nfs/dbraw/zinc/12/36/10/261123610.db2.gz VUXXMUYRTZVYKH-BDAKNGLRSA-N 0 0 311.304 0.731 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187846919 261125063 /nfs/dbraw/zinc/12/50/63/261125063.db2.gz OTDAUEKGNFSPAG-ZJUUUORDSA-N 0 0 308.334 0.974 10 0 DCAERN COC(=O)[C@@](C)(CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000188549916 261128747 /nfs/dbraw/zinc/12/87/47/261128747.db2.gz FJTAPDZQTTVQEU-BZNIZROVSA-N 0 0 304.346 0.370 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@H]1CCCN1c1nccs1 ZINC000188517628 261128784 /nfs/dbraw/zinc/12/87/84/261128784.db2.gz SPLMDMAESFEQMS-GHMZBOCLSA-N 0 0 308.407 0.801 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN(C)C(=O)[C@H]2C)s1 ZINC000188610483 261129487 /nfs/dbraw/zinc/12/94/87/261129487.db2.gz VFVOJHXNYFNCMB-SECBINFHSA-N 0 0 309.391 0.687 10 0 DCAERN CO[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C ZINC000189318029 261131234 /nfs/dbraw/zinc/13/12/34/261131234.db2.gz IXFOOHVQZYLEFY-IUCAKERBSA-N 0 0 311.304 0.731 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1F ZINC000189609314 261132820 /nfs/dbraw/zinc/13/28/20/261132820.db2.gz LEDXNPHHSOVCFB-GXFFZTMASA-N 0 0 324.352 0.935 10 0 DCAERN COCCO[C@@H]1CCCN(c2ncnc(-n3cccn3)c2N)C1 ZINC000193565123 261142307 /nfs/dbraw/zinc/14/23/07/261142307.db2.gz LZIBSFMEDGQVBV-GFCCVEGCSA-N 0 0 318.381 0.876 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H](C)Cn2cccn2)cn1 ZINC000193804915 261143850 /nfs/dbraw/zinc/14/38/50/261143850.db2.gz OQKBAQVZZZDOTF-LLVKDONJSA-N 0 0 319.369 0.283 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000193821703 261143995 /nfs/dbraw/zinc/14/39/95/261143995.db2.gz PQXZODPMXLBSRM-SNVBAGLBSA-N 0 0 324.406 0.619 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCOC(F)F)C[C@H](C)O1 ZINC000193968724 261144065 /nfs/dbraw/zinc/14/40/65/261144065.db2.gz HHCCAWGHDIIUEE-DTORHVGOSA-N 0 0 302.343 0.559 10 0 DCAERN CCCNC(=O)c1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194807085 261148655 /nfs/dbraw/zinc/14/86/55/261148655.db2.gz LFYXQBNUSGNLSH-ZDUSSCGKSA-N 0 0 303.362 0.579 10 0 DCAERN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194807561 261148870 /nfs/dbraw/zinc/14/88/70/261148870.db2.gz FDHXICLTDNWSLU-RISCZKNCSA-N 0 0 317.389 0.967 10 0 DCAERN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)[C@H]1CNC(=O)C1 ZINC000194878969 261149487 /nfs/dbraw/zinc/14/94/87/261149487.db2.gz DDIFCVXFAWOVDQ-ZIAGYGMSSA-N 0 0 315.373 0.602 10 0 DCAERN Cc1nc2ccccc2n1CCCNC(=O)[C@H]1CNC(=O)C1 ZINC000194869911 261149571 /nfs/dbraw/zinc/14/95/71/261149571.db2.gz HYHSNUWREIRUSI-GFCCVEGCSA-N 0 0 300.362 0.987 10 0 DCAERN CC(=O)NCCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000194910232 261149586 /nfs/dbraw/zinc/14/95/86/261149586.db2.gz NHGCUWZSDYHKID-UHFFFAOYSA-N 0 0 318.782 0.366 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195055831 261150511 /nfs/dbraw/zinc/15/05/11/261150511.db2.gz YZSKIVCRASKSBL-ZDUSSCGKSA-N 0 0 308.382 0.567 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000228059387 261153370 /nfs/dbraw/zinc/15/33/70/261153370.db2.gz JAVUQPQWEVHIQW-UHFFFAOYSA-N 0 0 321.786 0.647 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000356031701 261384420 /nfs/dbraw/zinc/38/44/20/261384420.db2.gz CQACIJKMJAPOBC-BMFZPTHFSA-N 0 0 318.373 0.568 10 0 DCAERN CS(=O)(=O)c1ccccc1NC(=O)N1CC(n2ccnn2)C1 ZINC000358440765 261669899 /nfs/dbraw/zinc/66/98/99/261669899.db2.gz RKNPLECXYDGJGO-UHFFFAOYSA-N 0 0 321.362 0.770 10 0 DCAERN CNS(=O)(=O)c1cccc(CN[C@@H](C(=O)OC)C2CC2)c1 ZINC000358824829 261703545 /nfs/dbraw/zinc/70/35/45/261703545.db2.gz XDTJHKRJOIOONF-CYBMUJFWSA-N 0 0 312.391 0.636 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H]1C(N)=O ZINC000360714164 261865810 /nfs/dbraw/zinc/86/58/10/261865810.db2.gz OONQRDUTRKGNBT-SKDRFNHKSA-N 0 0 301.350 0.826 10 0 DCAERN CN(CCOc1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000360876594 261885649 /nfs/dbraw/zinc/88/56/49/261885649.db2.gz KFJLVJQAURXSFH-UHFFFAOYSA-N 0 0 307.393 0.360 10 0 DCAERN CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](OC)C1)C1CCOCC1 ZINC000361105508 261897987 /nfs/dbraw/zinc/89/79/87/261897987.db2.gz VGBOMQWOXVQLJP-RDBSUJKOSA-N 0 0 312.410 0.992 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1cnc([C@H](C)CC)nc1 ZINC000361685067 261949877 /nfs/dbraw/zinc/94/98/77/261949877.db2.gz BYYAHVGDEBCVMX-SECBINFHSA-N 0 0 307.354 0.181 10 0 DCAERN CC(C)O[C@H]1C[C@@H](NC(=O)N(C)Cc2nnnn2C)C1(C)C ZINC000361821490 261964744 /nfs/dbraw/zinc/96/47/44/261964744.db2.gz RSGWVRZOPWHAIT-MNOVXSKESA-N 0 0 310.402 0.944 10 0 DCAERN CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000361921255 261977464 /nfs/dbraw/zinc/97/74/64/261977464.db2.gz AUDZHFKQQJCTQO-OAHLLOKOSA-N 0 0 308.382 0.855 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@]1(O)CCO[C@H]1C ZINC000362127150 262001868 /nfs/dbraw/zinc/00/18/68/262001868.db2.gz XQHHMSDLMBMTSA-ZUZCIYMTSA-N 0 0 324.381 0.138 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC000362127147 262002071 /nfs/dbraw/zinc/00/20/71/262002071.db2.gz XQHHMSDLMBMTSA-BONVTDFDSA-N 0 0 324.381 0.138 10 0 DCAERN COC[C@](C)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(F)(F)F ZINC000362203489 262009310 /nfs/dbraw/zinc/00/93/10/262009310.db2.gz KMMPMCLGFXFWTQ-JTQLQIEISA-N 0 0 309.244 0.033 10 0 DCAERN CC[C@H](NC(=O)N1CCOCC[C@@H]1C)C(=O)N1CCOCC1 ZINC000362254486 262015577 /nfs/dbraw/zinc/01/55/77/262015577.db2.gz GWHGDVRHUXJYJE-STQMWFEESA-N 0 0 313.398 0.444 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000362255685 262016242 /nfs/dbraw/zinc/01/62/42/262016242.db2.gz JSDLLOYNIBPESV-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)CN2CCCC2=O)no1 ZINC000362313743 262021468 /nfs/dbraw/zinc/02/14/68/262021468.db2.gz DLZBRHCMFYCFHR-UHFFFAOYSA-N 0 0 309.322 0.435 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2ccc(=O)n(C)c2)no1 ZINC000362316046 262021917 /nfs/dbraw/zinc/02/19/17/262021917.db2.gz RQXHGEDNVZHOGN-UHFFFAOYSA-N 0 0 319.317 0.825 10 0 DCAERN CCN1C[C@H](C(=O)NC(C)(C)c2cc(C(=O)OC)on2)CC1=O ZINC000362312231 262021997 /nfs/dbraw/zinc/02/19/97/262021997.db2.gz IHGIVYICYRJAGD-SECBINFHSA-N 0 0 323.349 0.681 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ncccc1C ZINC000362477778 262039682 /nfs/dbraw/zinc/03/96/82/262039682.db2.gz XUODQASBCTXZFS-GHMZBOCLSA-N 0 0 322.365 0.968 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000362534493 262044491 /nfs/dbraw/zinc/04/44/91/262044491.db2.gz QMFHEXPEQXKHOX-KBPBESRZSA-N 0 0 319.361 0.432 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000362558627 262046672 /nfs/dbraw/zinc/04/66/72/262046672.db2.gz UYYIDUNXRGZYQN-VIFPVBQESA-N 0 0 300.318 0.871 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc2ncnn21 ZINC000362668514 262058384 /nfs/dbraw/zinc/05/83/84/262058384.db2.gz HWJZDBMEZARVMM-ZJUUUORDSA-N 0 0 320.353 0.301 10 0 DCAERN O=C(NCc1ccccc1OCCO)N1CC[C@H](CCO)C1 ZINC000362703128 262062911 /nfs/dbraw/zinc/06/29/11/262062911.db2.gz HKXLEKUWRQBYTP-CYBMUJFWSA-N 0 0 308.378 0.972 10 0 DCAERN COC[C@H](CCO)NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362720923 262064721 /nfs/dbraw/zinc/06/47/21/262064721.db2.gz BRQFTQLYKMBOQB-STQMWFEESA-N 0 0 324.377 0.913 10 0 DCAERN CN1CCC(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000362759346 262068383 /nfs/dbraw/zinc/06/83/83/262068383.db2.gz ZLDXPHTUVJEBOC-CQSZACIVSA-N 0 0 314.451 0.896 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)NCc1ccn(C)n1 ZINC000362778348 262072039 /nfs/dbraw/zinc/07/20/39/262072039.db2.gz AKCUXSHAFOVDEM-STQMWFEESA-N 0 0 312.370 0.040 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363517959 262118267 /nfs/dbraw/zinc/11/82/67/262118267.db2.gz PPRIXJDHRXZFML-LBPRGKRZSA-N 0 0 313.321 0.150 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363794416 262130398 /nfs/dbraw/zinc/13/03/98/262130398.db2.gz LEDRGPGCBIZLBI-CQSZACIVSA-N 0 0 317.389 0.785 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000363831359 262133035 /nfs/dbraw/zinc/13/30/35/262133035.db2.gz YJZJTNNZTVCHTE-UHFFFAOYSA-N 0 0 323.393 0.925 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000363860194 262135210 /nfs/dbraw/zinc/13/52/10/262135210.db2.gz GQZSPTHOHRUZEN-CQSZACIVSA-N 0 0 321.352 0.099 10 0 DCAERN COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000391356617 262160381 /nfs/dbraw/zinc/16/03/81/262160381.db2.gz BVWWALREKWQQRX-OAHLLOKOSA-N 0 0 319.317 0.215 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000396418886 262163610 /nfs/dbraw/zinc/16/36/10/262163610.db2.gz YFYUDIBIRPAVQP-ZFWWWQNUSA-N 0 0 301.390 0.855 10 0 DCAERN Cn1cc(S(=O)(=O)NCCc2ccsc2)cc1C(N)=O ZINC000046801798 270940745 /nfs/dbraw/zinc/94/07/45/270940745.db2.gz MLWYWAUQKFEQSL-UHFFFAOYSA-N 0 0 313.404 0.707 10 0 DCAERN C[C@@H](CNC(=O)CCOc1ccccc1Cl)S(N)(=O)=O ZINC000355687130 271022382 /nfs/dbraw/zinc/02/23/82/271022382.db2.gz VAWFERGUASCMLT-VIFPVBQESA-N 0 0 320.798 0.902 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@@H](COC)OC)no1 ZINC000359035317 271093452 /nfs/dbraw/zinc/09/34/52/271093452.db2.gz VUPPJWUTQUDJHR-ZJUUUORDSA-N 0 0 316.358 0.628 10 0 DCAERN COc1cccc(O[C@@H](C)CNC(=O)C(=O)N(C)CCCO)c1 ZINC000359104765 271094623 /nfs/dbraw/zinc/09/46/23/271094623.db2.gz VHIQIKAUSSQOSL-LBPRGKRZSA-N 0 0 324.377 0.420 10 0 DCAERN COCCCN(C(=O)NC[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000359118961 271096263 /nfs/dbraw/zinc/09/62/63/271096263.db2.gz VRUADQRSJXGCMA-FRRDWIJNSA-N 0 0 318.439 0.878 10 0 DCAERN O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@@H](CO)C1CC1 ZINC000359190659 271103221 /nfs/dbraw/zinc/10/32/21/271103221.db2.gz HTUHCPKFZMFQCS-AWEZNQCLSA-N 0 0 317.389 0.790 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(C)[C@H]2CCSC2)n1 ZINC000359221065 271107033 /nfs/dbraw/zinc/10/70/33/271107033.db2.gz CNSOJZAKNRFKER-LBPRGKRZSA-N 0 0 323.418 0.713 10 0 DCAERN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CCCO)c1 ZINC000359601581 271129118 /nfs/dbraw/zinc/12/91/18/271129118.db2.gz HHVZNBSCAQUUKS-XHDPSFHLSA-N 0 0 320.389 0.826 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000359614146 271131772 /nfs/dbraw/zinc/13/17/72/271131772.db2.gz YIDAFHBZORNLIQ-HNNXBMFYSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000361057423 271175227 /nfs/dbraw/zinc/17/52/27/271175227.db2.gz GKZWUZDWLZBHJN-SSDOTTSWSA-N 0 0 317.349 0.545 10 0 DCAERN CCCCS(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363324179 271184396 /nfs/dbraw/zinc/18/43/96/271184396.db2.gz KMVGTRKPDBEXNS-GFCCVEGCSA-N 0 0 304.412 0.486 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)N[C@H]3CCN(C)C3=O)CC2)n1 ZINC000363773705 271206091 /nfs/dbraw/zinc/20/60/91/271206091.db2.gz CKTLLJRBQKSDCR-ZDUSSCGKSA-N 0 0 317.393 0.905 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399062433 271218756 /nfs/dbraw/zinc/21/87/56/271218756.db2.gz JJWZMRIPWHZWIY-QJPTWQEYSA-N 0 0 305.396 0.362 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399062439 271219029 /nfs/dbraw/zinc/21/90/29/271219029.db2.gz JJWZMRIPWHZWIY-SRVKXCTJSA-N 0 0 305.396 0.362 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@H](O)C3)sc2C1 ZINC000434954628 271551835 /nfs/dbraw/zinc/55/18/35/271551835.db2.gz JLSGAVJDHYNSOC-IUCAKERBSA-N 0 0 309.391 0.800 10 0 DCAERN CNC(=O)[C@]1(C)CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000435263481 271557708 /nfs/dbraw/zinc/55/77/08/271557708.db2.gz PXKHOLXQMJOOMJ-SJKOYZFVSA-N 0 0 317.389 0.790 10 0 DCAERN O=C(CNC(=O)C(=O)Nc1cncc(F)c1)NC1CCCCC1 ZINC000439701286 271644620 /nfs/dbraw/zinc/64/46/20/271644620.db2.gz WFPOAWSKIPDMGM-UHFFFAOYSA-N 0 0 322.340 0.724 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCc2ccc(O)cc2)cn1C ZINC000443126213 271699235 /nfs/dbraw/zinc/69/92/35/271699235.db2.gz HMOBDUOEPOYMTO-UHFFFAOYSA-N 0 0 323.374 0.569 10 0 DCAERN CCN(C(=O)c1cc(OC)c(OC)cc1C)[C@@H]1CC(=O)NC1=O ZINC000446135753 271755203 /nfs/dbraw/zinc/75/52/03/271755203.db2.gz HZBAKSIBYFZNSU-LLVKDONJSA-N 0 0 320.345 0.889 10 0 DCAERN Cc1cccc2c1O[C@H](C(=O)N1CCN3CCOC[C@H]3C1)C2 ZINC000450588819 271875550 /nfs/dbraw/zinc/87/55/50/271875550.db2.gz WPZFXOOQVDSHGV-CABCVRRESA-N 0 0 302.374 0.842 10 0 DCAERN CC(C)CSCCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458575978 271964179 /nfs/dbraw/zinc/96/41/79/271964179.db2.gz CKUNCUITRVIBAP-LLVKDONJSA-N 0 0 301.416 0.327 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nccc(-c2ccccc2)n1 ZINC000459908030 272018429 /nfs/dbraw/zinc/01/84/29/272018429.db2.gz QAKUWNJQOUEVMB-UHFFFAOYSA-N 0 0 312.329 0.941 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000460007832 272024026 /nfs/dbraw/zinc/02/40/26/272024026.db2.gz IIYLOAULXQRWHX-LBPRGKRZSA-N 0 0 308.300 0.771 10 0 DCAERN COc1c(NS(=O)(=O)N2CCC[C@@H]2C)cccc1C(N)=O ZINC000471972194 272033642 /nfs/dbraw/zinc/03/36/42/272033642.db2.gz YRJIZZHZBMOAHK-VIFPVBQESA-N 0 0 313.379 0.935 10 0 DCAERN CC(C)CN1C[C@@H]2CN(CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747774 272050231 /nfs/dbraw/zinc/05/02/31/272050231.db2.gz JTMJYCAEYQQRBX-HNNXBMFYSA-N 0 0 322.453 0.933 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)NC/C=C\c2ccccc2)C1 ZINC000488926748 272054386 /nfs/dbraw/zinc/05/43/86/272054386.db2.gz VECRRHDMIRHOJK-YVMONPNESA-N 0 0 323.418 0.890 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000490747021 272081402 /nfs/dbraw/zinc/08/14/02/272081402.db2.gz VGMPJYXTBVDVBO-UHFFFAOYSA-N 0 0 319.361 0.748 10 0 DCAERN CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000494127499 272210881 /nfs/dbraw/zinc/21/08/81/272210881.db2.gz QYBSMECPSBINIM-NWDGAFQWSA-N 0 0 322.409 0.999 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)[C@H](C)C1=O ZINC000494321867 272218180 /nfs/dbraw/zinc/21/81/80/272218180.db2.gz CFAOKJFBGFECCY-QWHCGFSZSA-N 0 0 317.455 0.904 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC(C)(C)O1 ZINC000494332542 272218328 /nfs/dbraw/zinc/21/83/28/272218328.db2.gz SSSFNUIBYBGPCN-SNVBAGLBSA-N 0 0 308.400 0.273 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC000496180160 272298603 /nfs/dbraw/zinc/29/86/03/272298603.db2.gz GFGVMACVNDDUPV-AWEZNQCLSA-N 0 0 302.330 0.925 10 0 DCAERN CN(C(=O)Cn1ncn(C)c1=O)c1ccc(C(F)(F)F)nn1 ZINC000515120086 272417123 /nfs/dbraw/zinc/41/71/23/272417123.db2.gz JFPLNFFKKIEFCR-UHFFFAOYSA-N 0 0 316.243 0.054 10 0 DCAERN C[C@@H](CNC(=O)c1cccc2ncnn21)N1CCCCC1=O ZINC000526015432 272587446 /nfs/dbraw/zinc/58/74/46/272587446.db2.gz WFGCXTBIGUGDNE-NSHDSACASA-N 0 0 301.350 0.860 10 0 DCAERN CO[C@]1(C(=O)NCc2n[nH]cc2Br)CCOC1 ZINC000530459168 272741852 /nfs/dbraw/zinc/74/18/52/272741852.db2.gz IGMOFDIVZWERIC-SNVBAGLBSA-N 0 0 304.144 0.594 10 0 DCAERN COc1cc(C)c(C(=O)NCCN2C(=O)CNC2=O)cc1OC ZINC000531505493 287779890 /nfs/dbraw/zinc/77/98/90/287779890.db2.gz YSXQMJMHJPVZSW-UHFFFAOYSA-N 0 0 321.333 0.294 10 0 DCAERN C[C@H](C(=O)N1CCc2sccc2C1)N(C)Cc1nnnn1C ZINC000531562262 287781827 /nfs/dbraw/zinc/78/18/27/287781827.db2.gz IMFGMPNYBXGVTI-SNVBAGLBSA-N 0 0 320.422 0.677 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](O)C2)nn1-c1nc(C)cc(C)n1 ZINC000534278724 287808701 /nfs/dbraw/zinc/80/87/01/287808701.db2.gz NCFJYTTZXRJMOY-LBPRGKRZSA-N 0 0 301.350 0.794 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CC[C@@H](NC(N)=O)C1)C2 ZINC000536510254 287854787 /nfs/dbraw/zinc/85/47/87/287854787.db2.gz XYBFIIJWVSIUCC-VXGBXAGGSA-N 0 0 318.381 0.095 10 0 DCAERN CCC1(CC)CN(c2ccc3nncn3n2)CCS1(=O)=O ZINC000408462770 275961981 /nfs/dbraw/zinc/96/19/81/275961981.db2.gz AMOCKZBUFSFBJB-UHFFFAOYSA-N 0 0 309.395 0.918 10 0 DCAERN CC1=C(C(=O)N2CCN(C3CC3)CC2)[C@H](C)n2ncnc2N1C ZINC000193219753 276174310 /nfs/dbraw/zinc/17/43/10/276174310.db2.gz SMVKQPHHYNODSR-LBPRGKRZSA-N 0 0 316.409 0.870 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173875956 287885011 /nfs/dbraw/zinc/88/50/11/287885011.db2.gz XJZWTKNPTVQDEV-ZIAGYGMSSA-N 0 0 309.410 0.178 10 0 DCAERN CN1CC[C@H](C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CC1=O ZINC000119648535 276956446 /nfs/dbraw/zinc/95/64/46/276956446.db2.gz YOEIFSWNGBQTFS-WCQYABFASA-N 0 0 315.373 0.861 10 0 DCAERN Cn1ncc(C(=O)N2CCN3CCOC[C@@H]3C2)c1C(F)F ZINC000541755649 287925806 /nfs/dbraw/zinc/92/58/06/287925806.db2.gz UKFQYGMVMJECJC-VIFPVBQESA-N 0 0 300.309 0.514 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NCc2ccn(C)n2)[C@]12CCCO2 ZINC000541842397 287927761 /nfs/dbraw/zinc/92/77/61/287927761.db2.gz KWUTXSFHMUNGAR-GZBFAFLISA-N 0 0 308.382 0.946 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CCCNC1=O ZINC000369010340 277020169 /nfs/dbraw/zinc/02/01/69/277020169.db2.gz DSKSHNUSWKOMQQ-LSDHHAIUSA-N 0 0 315.373 0.355 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171704820 277169248 /nfs/dbraw/zinc/16/92/48/277169248.db2.gz TULNSHDKWOGTOW-LLVKDONJSA-N 0 0 308.386 0.539 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@@H](C)N1CCCCC1=O ZINC000188896999 277929539 /nfs/dbraw/zinc/92/95/39/277929539.db2.gz IJENHCOFCPYXGH-DOMZBBRYSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000329563322 278007315 /nfs/dbraw/zinc/00/73/15/278007315.db2.gz GUGDRMMWBKQIIX-MCIONIFRSA-N 0 0 308.378 0.594 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377673418 278024311 /nfs/dbraw/zinc/02/43/11/278024311.db2.gz BPPFGCNWVODHMS-LSDHHAIUSA-N 0 0 315.373 0.609 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000408045888 278031557 /nfs/dbraw/zinc/03/15/57/278031557.db2.gz IWFAWTIAHVDLJV-SQWLQELKSA-N 0 0 310.394 0.530 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376214047 278062290 /nfs/dbraw/zinc/06/22/90/278062290.db2.gz ULHGXQNMUVCQLK-YNEHKIRRSA-N 0 0 314.407 0.314 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000371503451 278066483 /nfs/dbraw/zinc/06/64/83/278066483.db2.gz KRTVELPYMKFWFB-STQMWFEESA-N 0 0 319.386 0.351 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000330312212 278068033 /nfs/dbraw/zinc/06/80/33/278068033.db2.gz ODEXSAIIZZWAIL-XGUBFFRZSA-N 0 0 322.405 0.528 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1cccn1C ZINC000280676773 278068439 /nfs/dbraw/zinc/06/84/39/278068439.db2.gz ADWKBISGNOXHLQ-AEGPPILISA-N 0 0 305.378 0.670 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)Cc1noc2ccccc21 ZINC000546177168 288016793 /nfs/dbraw/zinc/01/67/93/288016793.db2.gz KZMNIZXAZQXYMV-UHFFFAOYSA-N 0 0 322.350 0.313 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@@H](CO)[C@H](O)C2)cn1 ZINC000546693210 288026071 /nfs/dbraw/zinc/02/60/71/288026071.db2.gz AMNKJTWSDJDORA-CMPLNLGQSA-N 0 0 309.366 0.023 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCOC3)CC2)n1 ZINC000547371697 288041172 /nfs/dbraw/zinc/04/11/72/288041172.db2.gz UDMSJXRMOVZLOH-AAEUAGOBSA-N 0 0 323.397 0.630 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC(=O)N1C ZINC000282100364 278406510 /nfs/dbraw/zinc/40/65/10/278406510.db2.gz DUCQRMDYDRJFAH-JOYOIKCWSA-N 0 0 319.336 0.941 10 0 DCAERN CCOC(=O)c1cnc(N[C@H]2CCCN(CCO)C2=O)nc1C ZINC000547438982 288046176 /nfs/dbraw/zinc/04/61/76/288046176.db2.gz JADMGCXWBTWVAC-LBPRGKRZSA-N 0 0 322.365 0.357 10 0 DCAERN CN(C)c1ccc(NC(=O)NCc2nnnn2CC2CC2)cn1 ZINC000547448512 288047320 /nfs/dbraw/zinc/04/73/20/288047320.db2.gz JRHVGCRMRHCCET-UHFFFAOYSA-N 0 0 316.369 0.866 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000126612583 278535961 /nfs/dbraw/zinc/53/59/61/278535961.db2.gz GQZPSFSIFFMWMU-SDDRHHMPSA-N 0 0 320.455 0.618 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[N@@H+](C2CCC2)C1 ZINC000293620553 288055397 /nfs/dbraw/zinc/05/53/97/288055397.db2.gz FPWJJDKYWBBMQY-NSHDSACASA-N 0 0 320.393 0.432 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CC(=O)N(C)[C@H](C)C3)n2)n1 ZINC000407956350 278676805 /nfs/dbraw/zinc/67/68/05/278676805.db2.gz VKNQOVPHBRMNNS-GFCCVEGCSA-N 0 0 300.366 0.946 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000547732528 288073542 /nfs/dbraw/zinc/07/35/42/288073542.db2.gz VYTGFUONUKEMSH-UHFFFAOYSA-N 0 0 318.333 0.227 10 0 DCAERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC000547735905 288074287 /nfs/dbraw/zinc/07/42/87/288074287.db2.gz BENRFWQFMZNCAM-NXEZZACHSA-N 0 0 309.370 0.354 10 0 DCAERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC000547735907 288074298 /nfs/dbraw/zinc/07/42/98/288074298.db2.gz BENRFWQFMZNCAM-VHSXEESVSA-N 0 0 309.370 0.354 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407982389 278833263 /nfs/dbraw/zinc/83/32/63/278833263.db2.gz HPKFSGWBDWTIIH-LLVKDONJSA-N 0 0 303.428 0.610 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794719 288079999 /nfs/dbraw/zinc/07/99/99/288079999.db2.gz PONKZUFFOGNFLZ-QWHCGFSZSA-N 0 0 324.450 0.949 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000547944404 288094654 /nfs/dbraw/zinc/09/46/54/288094654.db2.gz IZSLCUHKDPYGPA-GFCCVEGCSA-N 0 0 306.366 0.613 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3CCCc4nc[nH]c43)CCO2)[nH]1 ZINC000548091797 288110645 /nfs/dbraw/zinc/11/06/45/288110645.db2.gz BIYSJRRRZPPVGR-ZYHUDNBSSA-N 0 0 316.365 0.856 10 0 DCAERN NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2 ZINC000548122480 288113867 /nfs/dbraw/zinc/11/38/67/288113867.db2.gz SIRYUSQLHLUXLC-VHSXEESVSA-N 0 0 312.395 0.152 10 0 DCAERN Cn1c2nnc(S[C@H]3CCNC3=O)n2c2ccccc2c1=O ZINC000179087403 279323075 /nfs/dbraw/zinc/32/30/75/279323075.db2.gz NSOHGRVHULLKTJ-JTQLQIEISA-N 0 0 315.358 0.562 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c([C@@H]2CCOC2)n1 ZINC000548341833 288133683 /nfs/dbraw/zinc/13/36/83/288133683.db2.gz PLTYNPUPRKBZMM-MNOVXSKESA-N 0 0 318.377 0.417 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194329 279469058 /nfs/dbraw/zinc/46/90/58/279469058.db2.gz SZQRQZBUFGHOBG-NOOOWODRSA-N 0 0 314.407 0.630 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000120933296 279663272 /nfs/dbraw/zinc/66/32/72/279663272.db2.gz OGBIMAXDTAZMOU-OCCSQVGLSA-N 0 0 324.402 0.975 10 0 DCAERN Cc1nccn1CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548671921 288165601 /nfs/dbraw/zinc/16/56/01/288165601.db2.gz JRGFWDUUIINTSO-TZMCWYRMSA-N 0 0 303.366 0.819 10 0 DCAERN C[C@H](CC(=O)c1cccs1)NC(=O)CN1CCOCC1=O ZINC000548719476 288170608 /nfs/dbraw/zinc/17/06/08/288170608.db2.gz MKDRZXLDAVJTJT-SNVBAGLBSA-N 0 0 310.375 0.684 10 0 DCAERN C[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@@]2(CCCOC2)O1 ZINC000548828279 288180561 /nfs/dbraw/zinc/18/05/61/288180561.db2.gz YMDTUJZNYVFAJA-SWLSCSKDSA-N 0 0 309.366 0.595 10 0 DCAERN O=C(N[C@@H](CO)CC1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000549110272 288192344 /nfs/dbraw/zinc/19/23/44/288192344.db2.gz FPAXBVWULRTTAG-QWHCGFSZSA-N 0 0 307.398 0.833 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000549591156 288200863 /nfs/dbraw/zinc/20/08/63/288200863.db2.gz NGVQKGICHOHTMI-KOLCDFICSA-N 0 0 306.370 0.250 10 0 DCAERN CC(C)[C@H](C(=O)N1CCNC(=O)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000250244778 280151780 /nfs/dbraw/zinc/15/17/80/280151780.db2.gz VTQNOZZTUBFNCD-UMVBOHGHSA-N 0 0 311.426 0.469 10 0 DCAERN O=C1NCC[C@@H]1N1CCN(c2ncnc3sccc32)CC1 ZINC000178289353 280290429 /nfs/dbraw/zinc/29/04/29/280290429.db2.gz RWBJIEUIOUFRTC-NSHDSACASA-N 0 0 303.391 0.702 10 0 DCAERN O=C1N[C@H](c2ccc(O)c(Br)c2)N2CCOC[C@H]12 ZINC000093884251 280299934 /nfs/dbraw/zinc/29/99/34/280299934.db2.gz XLQKWDQVVWJEHX-KOLCDFICSA-N 0 0 313.151 0.984 10 0 DCAERN Cc1cc(C[NH2+][C@@]2(C(=O)[O-])CCOC2)ccc1-n1cncn1 ZINC000551057975 288222638 /nfs/dbraw/zinc/22/26/38/288222638.db2.gz QIYXGAIFSLUENT-HNNXBMFYSA-N 0 0 302.334 0.909 10 0 DCAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)NCC(=O)N(C)C ZINC000249258659 280403431 /nfs/dbraw/zinc/40/34/31/280403431.db2.gz HBWQDBBRHMMWJX-UPJWGTAASA-N 0 0 311.426 0.768 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H](C)O1 ZINC000246058510 288236638 /nfs/dbraw/zinc/23/66/38/288236638.db2.gz VVDWGCPRVAMQLA-RGDJUOJXSA-N 0 0 318.439 0.888 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@H]1CC(=O)N(C)C1)[C@H]2C ZINC000368465580 280723350 /nfs/dbraw/zinc/72/33/50/280723350.db2.gz LZYRNQOXJNNKPT-QWRGUYRKSA-N 0 0 320.397 0.718 10 0 DCAERN C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CCO1 ZINC000134853813 288261552 /nfs/dbraw/zinc/26/15/52/288261552.db2.gz SSGFEVBFVCDUOI-VXGBXAGGSA-N 0 0 303.362 0.986 10 0 DCAERN CC1(C)CCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000187285761 280982367 /nfs/dbraw/zinc/98/23/67/280982367.db2.gz QPANDICSIMLFHV-UHFFFAOYSA-N 0 0 309.391 0.885 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)on1 ZINC000553678101 288305316 /nfs/dbraw/zinc/30/53/16/288305316.db2.gz IILQKCSQEUWLSQ-NSHDSACASA-N 0 0 301.368 0.402 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)[nH]n1 ZINC000554343752 288318602 /nfs/dbraw/zinc/31/86/02/288318602.db2.gz OFLPJDVBUHBYCE-WCFLWFBJSA-N 0 0 322.409 0.385 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000554525562 288326227 /nfs/dbraw/zinc/32/62/27/288326227.db2.gz RUOHTVPWGSSLQP-LBPRGKRZSA-N 0 0 304.412 0.632 10 0 DCAERN CN(C)C(=O)CNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173450397 281929715 /nfs/dbraw/zinc/92/97/15/281929715.db2.gz ZVIVMBIDZXEEIA-CYBMUJFWSA-N 0 0 318.377 0.522 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)s1 ZINC000556667415 288382191 /nfs/dbraw/zinc/38/21/91/288382191.db2.gz CQCYVIYPGZHBMS-MWLCHTKSSA-N 0 0 311.407 0.687 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000556731760 288388681 /nfs/dbraw/zinc/38/86/81/288388681.db2.gz WUJIQOSQUBKPSD-VXGBXAGGSA-N 0 0 306.366 0.594 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000557851582 288432948 /nfs/dbraw/zinc/43/29/48/288432948.db2.gz GJSDHFVXZGYNJR-MNOVXSKESA-N 0 0 310.441 0.130 10 0 DCAERN C[C@H]1CN(C(=O)COc2cnn(C)c2)c2ccccc2C(=O)N1 ZINC000558577109 288449091 /nfs/dbraw/zinc/44/90/91/288449091.db2.gz SUMOAGFZMUIJEM-NSHDSACASA-N 0 0 314.345 0.964 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ncnn1C ZINC000558701826 288457303 /nfs/dbraw/zinc/45/73/03/288457303.db2.gz RUKSMUZZBXRSPU-MWLCHTKSSA-N 0 0 303.370 0.986 10 0 DCAERN O=C(NCCn1cncn1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558895734 288462377 /nfs/dbraw/zinc/46/23/77/288462377.db2.gz OOBSVQLJRFWRDE-QWHCGFSZSA-N 0 0 323.397 0.145 10 0 DCAERN COCC1(O)CCN(C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 ZINC000558956360 288463413 /nfs/dbraw/zinc/46/34/13/288463413.db2.gz HXMBDFCPCLTGMB-ZDUSSCGKSA-N 0 0 322.409 0.980 10 0 DCAERN C[C@H](CO)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561014118 288523858 /nfs/dbraw/zinc/52/38/58/288523858.db2.gz JVLHGLDKCYCWKO-NSHDSACASA-N 0 0 304.350 0.798 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC000118911015 288744296 /nfs/dbraw/zinc/74/42/96/288744296.db2.gz UQORIVYKNOGQID-SNVBAGLBSA-N 0 0 301.368 0.619 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333131643 288834874 /nfs/dbraw/zinc/83/48/74/288834874.db2.gz WWJMGCWBVRPGNJ-RSUWNVLCSA-N 0 0 309.410 0.990 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000408185873 289231623 /nfs/dbraw/zinc/23/16/23/289231623.db2.gz FMODSRIPKNUTHD-LBPRGKRZSA-N 0 0 318.439 0.876 10 0 DCAERN CN(C)S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128718381 289253983 /nfs/dbraw/zinc/25/39/83/289253983.db2.gz KXSOWZDJOCTNRQ-LLVKDONJSA-N 0 0 313.427 0.948 10 0 DCAERN C[C@H](C(=O)N1CCC(=O)[C@H](C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000377095259 289260482 /nfs/dbraw/zinc/26/04/82/289260482.db2.gz RHVVCHMGXAFTFW-GHMZBOCLSA-N 0 0 321.377 0.677 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@@H]1CN1CCOCC1)n1cncn1 ZINC000113448294 289268535 /nfs/dbraw/zinc/26/85/35/289268535.db2.gz ONXWDTWKJLCLRT-ZIAGYGMSSA-N 0 0 307.398 0.552 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000186380518 289712242 /nfs/dbraw/zinc/71/22/42/289712242.db2.gz VWYWBWSKXQNTNM-AVGNSLFASA-N 0 0 308.378 0.799 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000408253665 289829990 /nfs/dbraw/zinc/82/99/90/289829990.db2.gz IXYYVOPYDXYODL-XHDPSFHLSA-N 0 0 305.382 0.793 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@@H]1C ZINC000333191079 290115718 /nfs/dbraw/zinc/11/57/18/290115718.db2.gz SCSDCGRKQNAAIH-RMEBNNNOSA-N 0 0 316.467 0.892 10 0 DCAERN C[C@H](c1nc2ccccc2o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000245565542 290281512 /nfs/dbraw/zinc/28/15/12/290281512.db2.gz ZULPHSIIHYFWAH-MNOVXSKESA-N 0 0 314.345 0.531 10 0 DCAERN CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000225402656 290347022 /nfs/dbraw/zinc/34/70/22/290347022.db2.gz NPVGMDCPQCCWTJ-OLZOCXBDSA-N 0 0 313.442 0.499 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)[C@H](C)CO1 ZINC000132875086 297058545 /nfs/dbraw/zinc/05/85/45/297058545.db2.gz HWFLSIVUSQOBNE-LPWJVIDDSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)N1CCO ZINC000333186225 297061029 /nfs/dbraw/zinc/06/10/29/297061029.db2.gz QVJZQIXKBFOZFC-SEBNEYGDSA-N 0 0 316.467 0.892 10 0 DCAERN CO[C@@]1(C)CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408059187 294125474 /nfs/dbraw/zinc/12/54/74/294125474.db2.gz PQQVROYXHNVUKC-JKSUJKDBSA-N 0 0 312.410 0.777 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000328919198 294589013 /nfs/dbraw/zinc/58/90/13/294589013.db2.gz AOPQMFDPBYWIKS-LXFSFDBISA-N 0 0 322.405 0.650 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccnc(Br)c1 ZINC000220148049 295159400 /nfs/dbraw/zinc/15/94/00/295159400.db2.gz BQDQOTCKJRWIRG-MRVPVSSYSA-N 0 0 314.139 0.170 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)nc1 ZINC000408111627 295287961 /nfs/dbraw/zinc/28/79/61/295287961.db2.gz DLFGCIJBOKAOGS-VXGBXAGGSA-N 0 0 311.363 0.123 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000328778857 295547247 /nfs/dbraw/zinc/54/72/47/295547247.db2.gz ISVWAVHSZZJTAI-XQHKEYJVSA-N 0 0 301.408 0.837 10 0 DCAERN C[C@@H]1CN=C(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200615 297101462 /nfs/dbraw/zinc/10/14/62/297101462.db2.gz COQBVFJWNJUGKB-VXGBXAGGSA-N 0 0 324.450 0.681 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(CC(C)(C)O)C1CC1 ZINC000188037490 297157717 /nfs/dbraw/zinc/15/77/17/297157717.db2.gz WGUIHBXMTLOYTH-MNOVXSKESA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329466741 297809163 /nfs/dbraw/zinc/80/91/63/297809163.db2.gz VTTQFWNSIDXJHY-HZSPNIEDSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000248567239 297885696 /nfs/dbraw/zinc/88/56/96/297885696.db2.gz FECWRUMBTSZNAW-CABZTGNLSA-N 0 0 307.316 0.880 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1CS(N)(=O)=O)C1CCOCC1 ZINC000407997944 298040805 /nfs/dbraw/zinc/04/08/05/298040805.db2.gz YZNZYZXPFMVCLS-JQWIXIFHSA-N 0 0 304.412 0.329 10 0 DCAERN C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)N(C)CC(F)(F)F ZINC000408053891 298086051 /nfs/dbraw/zinc/08/60/51/298086051.db2.gz WWVOFHJCWVWFTQ-BBBLOLIVSA-N 0 0 322.331 0.494 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041514 298148229 /nfs/dbraw/zinc/14/82/29/298148229.db2.gz HIEQGDFHJIPOKL-HLTSFMKQSA-N 0 0 308.304 0.151 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333104727 300285935 /nfs/dbraw/zinc/28/59/35/300285935.db2.gz CXDLYOTYGULKNQ-QNWHQSFQSA-N 0 0 321.464 0.871 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cnn1C ZINC000176617290 300972681 /nfs/dbraw/zinc/97/26/81/300972681.db2.gz VNBBXMXLZZJVDQ-ZDUSSCGKSA-N 0 0 316.365 0.764 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)CN1CCCS1(=O)=O ZINC000190119620 302061089 /nfs/dbraw/zinc/06/10/89/302061089.db2.gz AXYGOSXBETYOCS-CYBMUJFWSA-N 0 0 324.402 0.970 10 0 DCAERN Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)ccc1=O ZINC000408130817 302905825 /nfs/dbraw/zinc/90/58/25/302905825.db2.gz WJNYAZVJPRBFBM-OAHLLOKOSA-N 0 0 319.405 0.712 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)c1cccc2c1OCO2 ZINC000375231524 303103941 /nfs/dbraw/zinc/10/39/41/303103941.db2.gz YPVLVCKEXNMRFC-LLVKDONJSA-N 0 0 316.317 0.758 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000186004324 332805662 /nfs/dbraw/zinc/80/56/62/332805662.db2.gz VXEOGGDEOLBOAB-XJKSGUPXSA-N 0 0 310.394 0.653 10 0 DCAERN CC(C)[C@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332797391 332873292 /nfs/dbraw/zinc/87/32/92/332873292.db2.gz RJQLFWUFDGVWJG-IGQOVBAYSA-N 0 0 323.397 0.721 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000332826959 332879477 /nfs/dbraw/zinc/87/94/77/332879477.db2.gz LSWNGTMITGHGMJ-FQUUOJAGSA-N 0 0 321.381 0.571 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)NCC(=O)NC2CCCCC2)CCO1 ZINC000332881093 332893824 /nfs/dbraw/zinc/89/38/24/332893824.db2.gz LNGWCNYXZXQNMJ-AAEUAGOBSA-N 0 0 318.439 0.922 10 0 DCAERN CNS(=O)(=O)N1CCN(c2nc(CC(C)C)ns2)CC1 ZINC000584238796 331901772 /nfs/dbraw/zinc/90/17/72/331901772.db2.gz ZJDSESQRMKUACP-UHFFFAOYSA-N 0 0 319.456 0.323 10 0 DCAERN COCCCS(=O)(=O)N1CCN(C[C@@H](C)COC)CC1 ZINC000187471338 332971260 /nfs/dbraw/zinc/97/12/60/332971260.db2.gz ILPHIJGJQJRGCT-CYBMUJFWSA-N 0 0 308.444 0.253 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000387932005 333185899 /nfs/dbraw/zinc/18/58/99/333185899.db2.gz CWMLKWAQFVWMMR-VWYCJHECSA-N 0 0 305.396 0.361 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643006 336011226 /nfs/dbraw/zinc/01/12/26/336011226.db2.gz DUERDIZWBYOAHY-OCCSQVGLSA-N 0 0 321.425 0.817 10 0 DCAERN CCN1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1=O ZINC000190527879 336264762 /nfs/dbraw/zinc/26/47/62/336264762.db2.gz DOBICRBJNOAGOU-UHFFFAOYSA-N 0 0 317.324 0.727 10 0 DCAERN COCC1(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000583002711 337227547 /nfs/dbraw/zinc/22/75/47/337227547.db2.gz FXDZEDPAOHGGEX-UHFFFAOYSA-N 0 0 318.377 0.916 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397709926 337282036 /nfs/dbraw/zinc/28/20/36/337282036.db2.gz OTRZZORZPSKZRX-AYMMMOKOSA-N 0 0 300.405 0.853 10 0 DCAERN C[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584508392 337351585 /nfs/dbraw/zinc/35/15/85/337351585.db2.gz LQPRQWMPJAJGAL-OAHLLOKOSA-N 0 0 302.334 0.646 10 0 DCAERN CC[NH2+]CCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000036299547 337352788 /nfs/dbraw/zinc/35/27/88/337352788.db2.gz XGHBNNCALVCGHV-UHFFFAOYSA-N 0 0 318.395 0.961 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC1(CO)CC1 ZINC000584548469 337360232 /nfs/dbraw/zinc/36/02/32/337360232.db2.gz CJVRVBXHVBCHMT-UHFFFAOYSA-N 0 0 317.345 0.175 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000584570172 337363661 /nfs/dbraw/zinc/36/36/61/337363661.db2.gz HXTXQMIFXTWIQV-UHFFFAOYSA-N 0 0 313.317 0.064 10 0 DCAERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000584644165 337380277 /nfs/dbraw/zinc/38/02/77/337380277.db2.gz YRQHRCWUTFHFTM-MXWKQRLJSA-N 0 0 302.371 0.100 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC000580578501 341880750 /nfs/dbraw/zinc/88/07/50/341880750.db2.gz MNPVAHOMJJBQPH-LLVKDONJSA-N 0 0 305.382 0.489 10 0 DCAERN O=C(NC/C=C\c1ccccc1)NCC(=O)N1CCOCC1 ZINC000345194408 341888779 /nfs/dbraw/zinc/88/87/79/341888779.db2.gz BIRBWZIVBHLBPF-DAXSKMNVSA-N 0 0 303.362 0.858 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC)OCC ZINC000580636689 341889843 /nfs/dbraw/zinc/88/98/43/341889843.db2.gz CEEXHBPPTYWYRO-DCAQKATOSA-N 0 0 302.371 0.374 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)CCC1CCOCC1 ZINC000154495091 521654033 /nfs/dbraw/zinc/65/40/33/521654033.db2.gz BOQJNHQTQPWJKP-UHFFFAOYSA-N 0 0 306.428 0.543 10 0 DCAERN Cc1c(C(=O)N2CCN(C)CC2)cccc1N1CCNC1=O ZINC000172909816 533752924 /nfs/dbraw/zinc/75/29/24/533752924.db2.gz DPDOAQXMWPMVRL-UHFFFAOYSA-N 0 0 302.378 0.912 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000155446412 533788431 /nfs/dbraw/zinc/78/84/31/533788431.db2.gz FVMPSGGUUKPSFO-FRRDWIJNSA-N 0 0 302.440 0.610 10 0 DCAERN CN(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@H]1CCNC1=O ZINC000332756891 517892726 /nfs/dbraw/zinc/89/27/26/517892726.db2.gz RYOSEURGXGTAHV-WUHRBBMRSA-N 0 0 307.394 0.864 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000112747106 518164817 /nfs/dbraw/zinc/16/48/17/518164817.db2.gz AGSYFONEPFUWKU-NSHDSACASA-N 0 0 302.338 0.496 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000154439472 518898820 /nfs/dbraw/zinc/89/88/20/518898820.db2.gz DZQDNGLXMWMOCR-GFCCVEGCSA-N 0 0 318.439 0.133 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](CO)C(C)C)c1 ZINC000267593364 519452862 /nfs/dbraw/zinc/45/28/62/519452862.db2.gz RBSZUXDQPLEZHX-CQSZACIVSA-N 0 0 321.377 0.741 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)c1 ZINC000267373054 519453599 /nfs/dbraw/zinc/45/35/99/519453599.db2.gz HBXGKXLLVFOQCH-MRXNPFEDSA-N 0 0 319.361 0.591 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000177540697 534432006 /nfs/dbraw/zinc/43/20/06/534432006.db2.gz OHBOVRGQZMPDJY-OUAUKWLOSA-N 0 0 308.382 0.093 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000191344491 519646955 /nfs/dbraw/zinc/64/69/55/519646955.db2.gz GOTZABAAAOEHDN-UHFFFAOYSA-N 0 0 303.362 0.897 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C)c2Cl)C1 ZINC000191340515 519647573 /nfs/dbraw/zinc/64/75/73/519647573.db2.gz BEQRMXOLPXMCPX-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000191343371 519647923 /nfs/dbraw/zinc/64/79/23/519647923.db2.gz DZJHZLBQARSBAX-UHFFFAOYSA-N 0 0 316.317 0.422 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)Cc2cccc3cccnc32)C1 ZINC000188548949 519649458 /nfs/dbraw/zinc/64/94/58/519649458.db2.gz KPMQDUGFJCGNFL-UHFFFAOYSA-N 0 0 319.386 0.885 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000246224298 519688561 /nfs/dbraw/zinc/68/85/61/519688561.db2.gz ZIKBRTLHEXVGFL-SWLSCSKDSA-N 0 0 321.425 0.540 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc[nH]c(=O)c1)CC2 ZINC000158575994 519871393 /nfs/dbraw/zinc/87/13/93/519871393.db2.gz AGUNPWAJQXEUDZ-NSHDSACASA-N 0 0 301.350 0.835 10 0 DCAERN CCOCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000157096530 519904541 /nfs/dbraw/zinc/90/45/41/519904541.db2.gz DZQPWYADWIMRDD-UHFFFAOYSA-N 0 0 305.356 0.243 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249606451 520124089 /nfs/dbraw/zinc/12/40/89/520124089.db2.gz ZVCULOFXHJKFDY-UONOGXRCSA-N 0 0 323.441 0.789 10 0 DCAERN CCOc1cc(C)nc(N2CCN(C(=O)C3CC(=O)C3)CC2)n1 ZINC000136955524 520690390 /nfs/dbraw/zinc/69/03/90/520690390.db2.gz ZTPJZGSRXVQYJI-UHFFFAOYSA-N 0 0 318.377 0.811 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000188010279 534516889 /nfs/dbraw/zinc/51/68/89/534516889.db2.gz JAJKDCPDSMKTMH-ZIAGYGMSSA-N 0 0 315.329 0.836 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000187974384 534516964 /nfs/dbraw/zinc/51/69/64/534516964.db2.gz KKHNCARVNVPKEB-ZDUSSCGKSA-N 0 0 317.345 0.781 10 0 DCAERN NC(=O)c1coc(CNC(=O)NCc2cccc(CO)c2)c1 ZINC000187029528 534517316 /nfs/dbraw/zinc/51/73/16/534517316.db2.gz PRORVSASYPEGSU-UHFFFAOYSA-N 0 0 303.318 0.870 10 0 DCAERN CCOC(=O)[C@@]1(C)CCN(c2nn3c(nccc3=O)s2)C1 ZINC000154922805 521179008 /nfs/dbraw/zinc/17/90/08/521179008.db2.gz JMMBIMWSHTYTJY-ZDUSSCGKSA-N 0 0 308.363 0.931 10 0 DCAERN CCOC(=O)c1cnc2ccc(S(=O)(=O)N(C)C)cc2c1O ZINC000026444232 521423147 /nfs/dbraw/zinc/42/31/47/521423147.db2.gz KPNFROXTPZPPAF-UHFFFAOYSA-N 0 0 324.358 0.955 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127720475 521670321 /nfs/dbraw/zinc/67/03/21/521670321.db2.gz MANRQISMYOPIAL-LLVKDONJSA-N 0 0 318.420 0.587 10 0 DCAERN CCN1CN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1=O ZINC000189985833 521725524 /nfs/dbraw/zinc/72/55/24/521725524.db2.gz HWIYYGZRWCVBCS-NSHDSACASA-N 0 0 321.356 0.631 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1sc(C)nc1C ZINC000267557599 521752750 /nfs/dbraw/zinc/75/27/50/521752750.db2.gz UFRUGIFNGLGALO-SECBINFHSA-N 0 0 303.409 0.659 10 0 DCAERN COCCS(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000189163273 521763480 /nfs/dbraw/zinc/76/34/80/521763480.db2.gz KAIKJMQYBOYLAI-UHFFFAOYSA-N 0 0 310.379 0.580 10 0 DCAERN CNC(=O)c1ccc(N2CCO[C@@H](Cn3cc(C)cn3)C2)nn1 ZINC000266831370 521830659 /nfs/dbraw/zinc/83/06/59/521830659.db2.gz HRRWUAXTOYEDPP-GFCCVEGCSA-N 0 0 316.365 0.247 10 0 DCAERN CNC(=O)c1cccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c1 ZINC000135510649 521887923 /nfs/dbraw/zinc/88/79/23/521887923.db2.gz IUSDYSOJEHDXEU-GXFFZTMASA-N 0 0 312.391 0.643 10 0 DCAERN CCc1cnc(CCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)s1 ZINC000152459129 522005032 /nfs/dbraw/zinc/00/50/32/522005032.db2.gz CVNAVYPUGDTGTD-SNVBAGLBSA-N 0 0 323.422 0.667 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)NCC2(C)OCCCO2)c1CC ZINC000191158762 522123676 /nfs/dbraw/zinc/12/36/76/522123676.db2.gz LRSZUZKJTZRIKN-UHFFFAOYSA-N 0 0 309.366 0.778 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Cc1c(Cl)cccc1OC ZINC000188975758 522193788 /nfs/dbraw/zinc/19/37/88/522193788.db2.gz JJALBRPLPFWPTG-UHFFFAOYSA-N 0 0 320.798 0.557 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000364891668 522233232 /nfs/dbraw/zinc/23/32/32/522233232.db2.gz DKJNSNANCQASQI-HBNTYKKESA-N 0 0 307.416 0.133 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000158804898 522251563 /nfs/dbraw/zinc/25/15/63/522251563.db2.gz NLUIBGRZTCUZCK-VHSXEESVSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C(C)C ZINC000158864612 522289524 /nfs/dbraw/zinc/28/95/24/522289524.db2.gz NNANUOGGZWPLGX-NSHDSACASA-N 0 0 301.364 0.768 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)C(=O)N(C)CC ZINC000191045388 522517026 /nfs/dbraw/zinc/51/70/26/522517026.db2.gz ITWXIVHCMCOSGR-WDEREUQCSA-N 0 0 322.413 0.841 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@H](OC)C2)cn1 ZINC000191307138 522560403 /nfs/dbraw/zinc/56/04/03/522560403.db2.gz WTTHVXBSHAIOSW-CMPLNLGQSA-N 0 0 306.366 0.861 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188325160 522565314 /nfs/dbraw/zinc/56/53/14/522565314.db2.gz LUXBOAWQUCMXLD-KBPBESRZSA-N 0 0 323.368 0.997 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000189347260 522647688 /nfs/dbraw/zinc/64/76/88/522647688.db2.gz FKBZVVHYTGIYRU-QMTHXVAHSA-N 0 0 322.409 0.189 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132214790 522664674 /nfs/dbraw/zinc/66/46/74/522664674.db2.gz JJSSGDUTSFGCIK-MRVPVSSYSA-N 0 0 308.773 0.972 10 0 DCAERN COCC(=O)NC1CN(C(=O)Cc2cnc3ccccc3c2)C1 ZINC000190823203 522757600 /nfs/dbraw/zinc/75/76/00/522757600.db2.gz UTTQTLMJJSTBNB-UHFFFAOYSA-N 0 0 313.357 0.751 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000188394915 522757645 /nfs/dbraw/zinc/75/76/45/522757645.db2.gz PLBXRKLGJQIUNO-GFCCVEGCSA-N 0 0 307.350 0.813 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000185284970 522760549 /nfs/dbraw/zinc/76/05/49/522760549.db2.gz UTRGQYZNSFJKPB-UHFFFAOYSA-N 0 0 320.242 0.830 10 0 DCAERN COC(=O)C1(CNC(=O)c2cc(Cn3cc(C)cn3)on2)CC1 ZINC000187906689 522829340 /nfs/dbraw/zinc/82/93/40/522829340.db2.gz KMFRVNZMOIJFJN-UHFFFAOYSA-N 0 0 318.333 0.911 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000154868967 523124511 /nfs/dbraw/zinc/12/45/11/523124511.db2.gz FOOYJCVJTQSMDT-MNOVXSKESA-N 0 0 306.428 0.588 10 0 DCAERN CCn1c(C)nnc1CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000154769499 523153134 /nfs/dbraw/zinc/15/31/34/523153134.db2.gz OVUZLDVHVPLIIT-UHFFFAOYSA-N 0 0 321.406 0.817 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CN3CCCC3=O)CCO2)cn1 ZINC000191714472 523463667 /nfs/dbraw/zinc/46/36/67/523463667.db2.gz JPSBYOLOTMBFGM-ZDUSSCGKSA-N 0 0 306.366 0.425 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)NCCCNC(C)=O)CCO2)cn1 ZINC000191083850 523464349 /nfs/dbraw/zinc/46/43/49/523464349.db2.gz BRPSSMIBRKEQEW-AWEZNQCLSA-N 0 0 323.397 0.512 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(OC)nn3)CCO2)cn1 ZINC000191762972 523466283 /nfs/dbraw/zinc/46/62/83/523466283.db2.gz ZZUPOOMUNRXNDD-ZDUSSCGKSA-N 0 0 317.349 0.915 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)NCCCNC(C)=O)CCO2)cn1 ZINC000191083866 523479658 /nfs/dbraw/zinc/47/96/58/523479658.db2.gz BRPSSMIBRKEQEW-CQSZACIVSA-N 0 0 323.397 0.512 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000264436757 523627380 /nfs/dbraw/zinc/62/73/80/523627380.db2.gz PRTJEMHMHAKLGQ-SECBINFHSA-N 0 0 312.347 0.541 10 0 DCAERN CCc1cc(N2CCC(NC(=O)N3CC(CO)C3)CC2)ncn1 ZINC000189445854 523790681 /nfs/dbraw/zinc/79/06/81/523790681.db2.gz CFQZJCQAIQOCAJ-UHFFFAOYSA-N 0 0 319.409 0.642 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1nsc(N(C)C)n1 ZINC000249326512 523813678 /nfs/dbraw/zinc/81/36/78/523813678.db2.gz GZEHQNXBPQNGJQ-SCZZXKLOSA-N 0 0 300.384 0.102 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000161679793 523938488 /nfs/dbraw/zinc/93/84/88/523938488.db2.gz DDOPUZXHKPTSDZ-HNNXBMFYSA-N 0 0 317.389 0.639 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000127029043 523988523 /nfs/dbraw/zinc/98/85/23/523988523.db2.gz ASMQSTKAHQLEJD-SNVBAGLBSA-N 0 0 324.406 0.401 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)CC1=O ZINC000267624595 524010639 /nfs/dbraw/zinc/01/06/39/524010639.db2.gz LLLNRCBOUVZXMV-VHSXEESVSA-N 0 0 310.379 0.457 10 0 DCAERN CN1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)cs2)CCC1=O ZINC000153462763 524011628 /nfs/dbraw/zinc/01/16/28/524011628.db2.gz YDMCZUSXVONMSW-QMMMGPOBSA-N 0 0 316.404 0.502 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000189364958 524022509 /nfs/dbraw/zinc/02/25/09/524022509.db2.gz NNQZEVILRTYLTD-UHFFFAOYSA-N 0 0 319.361 0.769 10 0 DCAERN CCc1cccc(C)c1NC(=O)C(=O)N1CC(NC(C)=O)C1 ZINC000191345507 524062484 /nfs/dbraw/zinc/06/24/84/524062484.db2.gz BVVAXTMGMBZLIX-UHFFFAOYSA-N 0 0 303.362 0.843 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000364216926 524122602 /nfs/dbraw/zinc/12/26/02/524122602.db2.gz MYZJMHJHWWEHSQ-NWDGAFQWSA-N 0 0 316.427 0.205 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCC(n2cncn2)CC1 ZINC000157758862 524173498 /nfs/dbraw/zinc/17/34/98/524173498.db2.gz CAJOKLUNSDBONW-VIFPVBQESA-N 0 0 305.304 0.982 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120472526 524417915 /nfs/dbraw/zinc/41/79/15/524417915.db2.gz QHGRTWHIMVQUSR-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)[C@@H]1CO ZINC000190343164 524466422 /nfs/dbraw/zinc/46/64/22/524466422.db2.gz BDVWNNNCBOBEJZ-MGPQQGTHSA-N 0 0 319.409 0.858 10 0 DCAERN O=C(NCC1(CCO)CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157542031 534807643 /nfs/dbraw/zinc/80/76/43/534807643.db2.gz IEOSJTGFEBFFJL-SECBINFHSA-N 0 0 308.300 0.676 10 0 DCAERN COc1ccsc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000157175647 524881849 /nfs/dbraw/zinc/88/18/49/524881849.db2.gz PQCVJNYXAGEBGO-SECBINFHSA-N 0 0 306.409 0.366 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000267689780 524909861 /nfs/dbraw/zinc/90/98/61/524909861.db2.gz GGJOCIMJRWIACJ-JQWIXIFHSA-N 0 0 305.382 0.924 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000158350543 524967785 /nfs/dbraw/zinc/96/77/85/524967785.db2.gz LAWXQQWCKNFKKH-CMPLNLGQSA-N 0 0 306.370 0.119 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000158196966 524979990 /nfs/dbraw/zinc/97/99/90/524979990.db2.gz VHQSZSWPVUVSFC-YFKPBYRVSA-N 0 0 307.232 0.163 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120514663 524987161 /nfs/dbraw/zinc/98/71/61/524987161.db2.gz GXWZANHFAFVBIP-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000190116503 525037455 /nfs/dbraw/zinc/03/74/55/525037455.db2.gz LIJQUJCRIXQLHY-RNCFNFMXSA-N 0 0 303.355 0.915 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000130261242 525048040 /nfs/dbraw/zinc/04/80/40/525048040.db2.gz PBSBCGUULDRXOE-UKRRQHHQSA-N 0 0 321.425 0.815 10 0 DCAERN C[C@@H](NC(=O)N1CC(CO)C1)c1ccc(-n2cncn2)cc1 ZINC000190533996 525156581 /nfs/dbraw/zinc/15/65/81/525156581.db2.gz USRBRYHAJJAIBS-LLVKDONJSA-N 0 0 301.350 0.962 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186085549 525244672 /nfs/dbraw/zinc/24/46/72/525244672.db2.gz YPDLHAYKBHHDLN-NHYWBVRUSA-N 0 0 308.334 0.416 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCCN2CCOCC2)c1 ZINC000156603729 525282075 /nfs/dbraw/zinc/28/20/75/525282075.db2.gz JKBQPJUQUHXOAQ-UHFFFAOYSA-N 0 0 318.420 0.214 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000128678764 525375636 /nfs/dbraw/zinc/37/56/36/525375636.db2.gz ZSOXNVFHWAFBIS-OCCSQVGLSA-N 0 0 305.378 0.948 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1C(N)=O ZINC000158823994 525581989 /nfs/dbraw/zinc/58/19/89/525581989.db2.gz LBWRGHCLJJLYOR-UWVGGRQHSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)NCC1(C)OCCCO1)c2=O ZINC000191087937 525612228 /nfs/dbraw/zinc/61/22/28/525612228.db2.gz CQEMHTGQPPIUHA-UHFFFAOYSA-N 0 0 317.345 0.886 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188015325 525755404 /nfs/dbraw/zinc/75/54/04/525755404.db2.gz MHLFFRPEBROMDD-UHFFFAOYSA-N 0 0 316.361 0.456 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000126872424 525765814 /nfs/dbraw/zinc/76/58/14/525765814.db2.gz GSCQTKKQQKQYBC-SNVBAGLBSA-N 0 0 320.324 0.837 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1ccc(CO)c(F)c1)[C@H](C)CO ZINC000190437766 525773518 /nfs/dbraw/zinc/77/35/18/525773518.db2.gz FLWOWDZAGYGFMX-GHMZBOCLSA-N 0 0 314.357 0.591 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CCCO1 ZINC000267963418 525784360 /nfs/dbraw/zinc/78/43/60/525784360.db2.gz JIMXXAXNWBMXTR-BMIGLBTASA-N 0 0 306.366 0.784 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)s1 ZINC000187982665 526073562 /nfs/dbraw/zinc/07/35/62/526073562.db2.gz CBDMOZBBXMSNQU-UHFFFAOYSA-N 0 0 308.363 0.127 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCOCC[C@@H]1C ZINC000364766799 526134078 /nfs/dbraw/zinc/13/40/78/526134078.db2.gz BNKRDQINDYDYJP-NSHDSACASA-N 0 0 307.350 0.270 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)NCCC(N)=O)C2)c1 ZINC000170678961 526158913 /nfs/dbraw/zinc/15/89/13/526158913.db2.gz OBLCXKWERYBKTM-GFCCVEGCSA-N 0 0 320.393 0.696 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CN(C)C(=O)c1cccs1 ZINC000188938552 526201703 /nfs/dbraw/zinc/20/17/03/526201703.db2.gz KFINJMBTMVRSRS-SNVBAGLBSA-N 0 0 309.391 0.557 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCN3CCOCC3)no2)c1 ZINC000157931704 526265243 /nfs/dbraw/zinc/26/52/43/526265243.db2.gz KPYWGVSJPIKDPX-UHFFFAOYSA-N 0 0 319.365 0.290 10 0 DCAERN Cc1csc(C2(NC(=O)[C@@H](C)NS(C)(=O)=O)CCC2)n1 ZINC000266849782 526325115 /nfs/dbraw/zinc/32/51/15/526325115.db2.gz QJINPHRLYIAMSI-SECBINFHSA-N 0 0 317.436 0.885 10 0 DCAERN c1ccc(-n2nnnc2CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000185175576 526460505 /nfs/dbraw/zinc/46/05/05/526460505.db2.gz BMKWVCWWUZVZFK-OAHLLOKOSA-N 0 0 301.350 0.654 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C)C2)c1 ZINC000330788236 526478479 /nfs/dbraw/zinc/47/84/79/526478479.db2.gz YINMZWRHEJJTSI-NSHDSACASA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)[C@@H](C)c2ncccc2F)CC1 ZINC000330941897 526626505 /nfs/dbraw/zinc/62/65/05/526626505.db2.gz DLHIGNQZZHZAIM-LBPRGKRZSA-N 0 0 322.384 0.605 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000176633575 526657801 /nfs/dbraw/zinc/65/78/01/526657801.db2.gz STILJMCOZBIKCS-LSDHHAIUSA-N 0 0 320.393 0.287 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000330905015 526678268 /nfs/dbraw/zinc/67/82/68/526678268.db2.gz AQVZNWHOFQROMB-GXSJLCMTSA-N 0 0 302.396 0.612 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnsn1 ZINC000183735157 526805986 /nfs/dbraw/zinc/80/59/86/526805986.db2.gz RTWOYNYTLIAZLR-UHFFFAOYSA-N 0 0 323.353 0.839 10 0 DCAERN Cc1nc(CCCC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cs1 ZINC000157374497 526807576 /nfs/dbraw/zinc/80/75/76/526807576.db2.gz WQVADNALMBGJQZ-SKDRFNHKSA-N 0 0 311.407 0.875 10 0 DCAERN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCNC(=O)CC1 ZINC000163680237 526846963 /nfs/dbraw/zinc/84/69/63/526846963.db2.gz ZPCSVBGTNORHHX-UHFFFAOYSA-N 0 0 317.267 0.985 10 0 DCAERN Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[nH]1 ZINC000156721393 526990173 /nfs/dbraw/zinc/99/01/73/526990173.db2.gz HJPKFSGTVMOEFD-CMPLNLGQSA-N 0 0 300.322 0.666 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CNC(=O)C1 ZINC000157105685 527042840 /nfs/dbraw/zinc/04/28/40/527042840.db2.gz DHKRYKCAXGFHMN-OLZOCXBDSA-N 0 0 307.394 0.420 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F ZINC000157868244 527087566 /nfs/dbraw/zinc/08/75/66/527087566.db2.gz MOIHAMILZQPHTM-RISCZKNCSA-N 0 0 312.272 0.709 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)[C@@H](C)CO ZINC000131073067 527200721 /nfs/dbraw/zinc/20/07/21/527200721.db2.gz YJWVQEMLZLTVMH-DTWKUNHWSA-N 0 0 320.397 0.389 10 0 DCAERN Cn1cc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000158461831 527209204 /nfs/dbraw/zinc/20/92/04/527209204.db2.gz ODQQEGHZVZYACJ-UHFFFAOYSA-N 0 0 300.384 0.139 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000158805967 527489527 /nfs/dbraw/zinc/48/95/27/527489527.db2.gz WMPDCTAQRTWWLA-RYUDHWBXSA-N 0 0 318.381 0.046 10 0 DCAERN Cn1nccc1CCC(=O)NC(C)(C)CCS(C)(=O)=O ZINC000127006127 527602865 /nfs/dbraw/zinc/60/28/65/527602865.db2.gz FSZUHTXKPYMLAE-UHFFFAOYSA-N 0 0 301.412 0.682 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000163761477 527634325 /nfs/dbraw/zinc/63/43/25/527634325.db2.gz YIMPPRQHEDYJMU-UHFFFAOYSA-N 0 0 302.338 0.853 10 0 DCAERN O=C(NCCCNC(=O)[C@H]1COCCN1)c1cccc(F)c1 ZINC000157702170 527675725 /nfs/dbraw/zinc/67/57/25/527675725.db2.gz DXPSNXGOHLVWJT-CYBMUJFWSA-N 0 0 309.341 0.050 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)NCC1(CCO)CC1 ZINC000186517995 527711616 /nfs/dbraw/zinc/71/16/16/527711616.db2.gz OYVMAAWOIMQHAD-UHFFFAOYSA-N 0 0 308.382 0.901 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)CCN1CCCS1(=O)=O ZINC000174476691 527831819 /nfs/dbraw/zinc/83/18/19/527831819.db2.gz ZEPRYSNBTSWQJL-CQSZACIVSA-N 0 0 320.455 0.715 10 0 DCAERN CCCC(O)(CCC)CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161723553 528004931 /nfs/dbraw/zinc/00/49/31/528004931.db2.gz BNKVFIVOWGUVJR-GFCCVEGCSA-N 0 0 320.455 0.858 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000178716808 528019106 /nfs/dbraw/zinc/01/91/06/528019106.db2.gz BNQHENJLSWQNGJ-QWRGUYRKSA-N 0 0 312.414 0.492 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000178136986 528048741 /nfs/dbraw/zinc/04/87/41/528048741.db2.gz XVBSUZATXCQVIE-LBPRGKRZSA-N 0 0 307.394 0.230 10 0 DCAERN CC(C)C[C@@H](CNC(=O)C1(O)CCC1)NC(=O)C1(O)CCC1 ZINC000185815978 528319875 /nfs/dbraw/zinc/31/98/75/528319875.db2.gz ABWVTMUTBJMKFU-LBPRGKRZSA-N 0 0 312.410 0.464 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000163721615 528335434 /nfs/dbraw/zinc/33/54/34/528335434.db2.gz NMPVWCDLYGFSCD-BXKDBHETSA-N 0 0 308.300 0.771 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000163721727 528361892 /nfs/dbraw/zinc/36/18/92/528361892.db2.gz NMPVWCDLYGFSCD-CABZTGNLSA-N 0 0 308.300 0.771 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)Cn2nc3ccccn3c2=O)O1 ZINC000189632722 529021783 /nfs/dbraw/zinc/02/17/83/529021783.db2.gz FFCARWHTKXDEMX-NSHDSACASA-N 0 0 304.350 0.570 10 0 DCAERN CC[C@H](SC)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328639455 529171247 /nfs/dbraw/zinc/17/12/47/529171247.db2.gz PNEPMKHDHBTKEO-QWRGUYRKSA-N 0 0 303.428 0.822 10 0 DCAERN CC[C@H]1CCCCN1C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155442979 529198604 /nfs/dbraw/zinc/19/86/04/529198604.db2.gz ZRFMJCISRVUSPR-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN CC[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCC1=O ZINC000174028148 529277920 /nfs/dbraw/zinc/27/79/20/529277920.db2.gz JMERRVBUUCCELX-QWRGUYRKSA-N 0 0 302.396 0.033 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)COC(C)(C)CC ZINC000457756938 535429442 /nfs/dbraw/zinc/42/94/42/535429442.db2.gz HUVANTBLWVZLPN-GHMZBOCLSA-N 0 0 316.398 0.764 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)CC1=O ZINC000284731746 535778618 /nfs/dbraw/zinc/77/86/18/535778618.db2.gz TYKFGQLFKAPDKX-NEPJUHHUSA-N 0 0 321.381 0.062 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)c1cccc2ncccc21 ZINC000164201648 536691391 /nfs/dbraw/zinc/69/13/91/536691391.db2.gz IHVABSSGZRXQPM-NSHDSACASA-N 0 0 310.331 0.047 10 0 DCAERN NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 ZINC000036791218 545646386 /nfs/dbraw/zinc/64/63/86/545646386.db2.gz OMSRYFVTZXEYFX-CQSZACIVSA-N 0 0 305.359 0.713 10 0 DCAERN NC(=O)[C@]([NH3+])(Cn1cc(I)cn1)C1CC1 ZINC000070678650 545661577 /nfs/dbraw/zinc/66/15/77/545661577.db2.gz VGQJGQMBRGETME-VIFPVBQESA-N 0 0 320.134 0.081 10 0 DCAERN Cc1ncc2c(n1)nc(SCC(=O)NC(C)C)n(C)c2=O ZINC000064755617 545658786 /nfs/dbraw/zinc/65/87/86/545658786.db2.gz NUCXERGNVAKKBE-UHFFFAOYSA-N 0 0 307.379 0.649 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000089549280 545714331 /nfs/dbraw/zinc/71/43/31/545714331.db2.gz NEKKTHMOIPCBFC-HUUCEWRRSA-N 0 0 318.373 0.462 10 0 DCAERN C[C@H](C(=O)NCc1ncn(C)n1)N1C(=O)c2ccccc2C1=O ZINC000092893152 545724615 /nfs/dbraw/zinc/72/46/15/545724615.db2.gz JHGZIKNVCDEFAL-SECBINFHSA-N 0 0 313.317 0.116 10 0 DCAERN CCc1c(C(=O)NC2CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000124461093 545759942 /nfs/dbraw/zinc/75/99/42/545759942.db2.gz KTUUGCTUKGGERM-UHFFFAOYSA-N 0 0 302.334 0.087 10 0 DCAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130728270 545788866 /nfs/dbraw/zinc/78/88/66/545788866.db2.gz GFMVJWKOCDBJPL-WCQYABFASA-N 0 0 318.377 0.960 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)C(=O)NCC(=O)N(C)C)cc1F ZINC000154327184 545838895 /nfs/dbraw/zinc/83/88/95/545838895.db2.gz VOAKOKXMVIDQSC-JTQLQIEISA-N 0 0 309.341 0.516 10 0 DCAERN 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ZINC000909161526 663784748 /nfs/dbraw/zinc/78/47/48/663784748.db2.gz LZJALKHLMRLEAG-YRGRVCCFSA-N 0 0 303.366 0.844 10 0 DCAERN C/C(=C\C(=O)N1CC[C@@H](n2ccnn2)C1)CN1CCOCC1 ZINC000911823587 664112740 /nfs/dbraw/zinc/11/27/40/664112740.db2.gz QZIXBKXCVVEEOE-JWAFFJSPSA-N 0 0 305.382 0.330 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CO)cc1 ZINC000912421740 664174440 /nfs/dbraw/zinc/17/44/40/664174440.db2.gz JYNMTFHJDBZPKP-GFCCVEGCSA-N 0 0 313.375 0.314 10 0 DCAERN COc1cc(C(=O)N2CCOC[C@H]2CO)cc2c1O[C@H](C)C2 ZINC000912425969 664174919 /nfs/dbraw/zinc/17/49/19/664174919.db2.gz AGMZMEIJZJJLPT-ZWNOBZJWSA-N 0 0 307.346 0.852 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912428073 664175471 /nfs/dbraw/zinc/17/54/71/664175471.db2.gz SGAZWUCHKVGHBP-UKRRQHHQSA-N 0 0 318.373 0.568 10 0 DCAERN CN1CC[C@](C)(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000912940115 664247533 /nfs/dbraw/zinc/24/75/33/664247533.db2.gz GGFFAFSFIQJTDB-WBMJQRKESA-N 0 0 317.393 0.797 10 0 DCAERN CC(=O)N[C@@H]1CCCN(Cn2c3cnccc3n(C)c2=O)C1 ZINC000156645125 664376326 /nfs/dbraw/zinc/37/63/26/664376326.db2.gz MVFCDVCQNSJFAG-GFCCVEGCSA-N 0 0 303.366 0.293 10 0 DCAERN O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-n2cnnc2)nc1 ZINC000223050937 664399090 /nfs/dbraw/zinc/39/90/90/664399090.db2.gz RIMJRZVFDPMPNJ-OAHLLOKOSA-N 0 0 323.356 0.996 10 0 DCAERN CCCN1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1 ZINC000223058963 664399277 /nfs/dbraw/zinc/39/92/77/664399277.db2.gz RCECSPNQUGLWHZ-UHFFFAOYSA-N 0 0 300.366 0.830 10 0 DCAERN O=C(NCCN1CCOCC1)c1nn2c(c1Cl)OCCC2 ZINC000223781880 664423839 /nfs/dbraw/zinc/42/38/39/664423839.db2.gz CLHYGHOEGRGTDA-UHFFFAOYSA-N 0 0 314.773 0.381 10 0 DCAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCO[C@H](CO)C1 ZINC000167547621 664499516 /nfs/dbraw/zinc/49/95/16/664499516.db2.gz ZRBNERAMBGFEHN-STQMWFEESA-N 0 0 306.387 0.768 10 0 DCAERN Cc1cc(-c2nnc(SC[C@@H](O)COC(C)C)n2N)n[nH]1 ZINC000157964751 664518705 /nfs/dbraw/zinc/51/87/05/664518705.db2.gz ARYDHCBCUBDWAO-VIFPVBQESA-N 0 0 312.399 0.568 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2CO)c1 ZINC000168255336 664521568 /nfs/dbraw/zinc/52/15/68/664521568.db2.gz KGCDHAFUUISIIH-GFCCVEGCSA-N 0 0 313.375 0.661 10 0 DCAERN Cn1cnnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171561649 664610042 /nfs/dbraw/zinc/61/00/42/664610042.db2.gz PXLCVBWMVJAGBC-OAHLLOKOSA-N 0 0 301.394 0.666 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000172451732 664621652 /nfs/dbraw/zinc/62/16/52/664621652.db2.gz JPGMHPUVLIQEPR-NSHDSACASA-N 0 0 311.407 0.892 10 0 DCAERN Cc1nn(C)cc1NC(=O)CCn1nnc2ccccc2c1=O ZINC000172757841 664624909 /nfs/dbraw/zinc/62/49/09/664624909.db2.gz UOUZRKPBMDVWRO-UHFFFAOYSA-N 0 0 312.333 0.862 10 0 DCAERN CC(C)n1nnnc1CSc1nnc(C2CCOCC2)n1N ZINC000172946978 664625826 /nfs/dbraw/zinc/62/58/26/664625826.db2.gz NOXLAZMEEDORRS-UHFFFAOYSA-N 0 0 324.414 0.746 10 0 DCAERN NC(=O)CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730279005 664674935 /nfs/dbraw/zinc/67/49/35/664674935.db2.gz TXBNGTBCECFQDY-UHFFFAOYSA-N 0 0 319.361 0.574 10 0 DCAERN C[C@H]1CN(Cn2nc(C(C)(C)C)[nH]c2=S)CCS1(=O)=O ZINC000151598633 664708197 /nfs/dbraw/zinc/70/81/97/664708197.db2.gz JZHMOKAZZPVAAG-VIFPVBQESA-N 0 0 318.468 0.941 10 0 DCAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC2(C1)OCCO2 ZINC000151687800 664711562 /nfs/dbraw/zinc/71/15/62/664711562.db2.gz WCZQHSMTLRAHQT-UHFFFAOYSA-N 0 0 315.329 0.902 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@H]1CCOC1 ZINC000130213594 664751205 /nfs/dbraw/zinc/75/12/05/664751205.db2.gz AVEVDPOOXDDQNH-JTQLQIEISA-N 0 0 304.302 0.270 10 0 DCAERN CCOc1ccnc(N2CCN(CN3C[C@H](C)CC3=O)CC2)n1 ZINC000152674937 664768533 /nfs/dbraw/zinc/76/85/33/664768533.db2.gz DVJFWKIOTRXFRN-CYBMUJFWSA-N 0 0 319.409 0.823 10 0 DCAERN CN(C)c1cc(C(=O)NCCc2nncn2C)cc(Cl)n1 ZINC000733148779 665077846 /nfs/dbraw/zinc/07/78/46/665077846.db2.gz PRRRLQRPMALIBR-UHFFFAOYSA-N 0 0 308.773 0.902 10 0 DCAERN C[C@H](CSc1nnc(C(F)(F)F)n1N)CS(C)(=O)=O ZINC000154917113 665200162 /nfs/dbraw/zinc/20/01/62/665200162.db2.gz FYBWGAGVPMNLKX-RXMQYKEDSA-N 0 0 318.346 0.784 10 0 DCAERN CCS(=O)(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000154942701 665205446 /nfs/dbraw/zinc/20/54/46/665205446.db2.gz LQCNQHGVVNTONV-NSHDSACASA-N 0 0 312.457 0.330 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182545 665315600 /nfs/dbraw/zinc/31/56/00/665315600.db2.gz XVQDIUJSMXIFBA-CABCVRRESA-N 0 0 324.421 0.899 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188958 666026816 /nfs/dbraw/zinc/02/68/16/666026816.db2.gz HAOZXEITHVTAST-SNVBAGLBSA-N 0 0 316.379 0.858 10 0 DCAERN C[C@](O)(CNC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000183516412 666059599 /nfs/dbraw/zinc/05/95/99/666059599.db2.gz LTKNTTUYNGEUAJ-HNNXBMFYSA-N 0 0 303.366 0.875 10 0 DCAERN Cn1ccc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000183967359 666161185 /nfs/dbraw/zinc/16/11/85/666161185.db2.gz QNSWCEVELZFPLU-ZIAGYGMSSA-N 0 0 319.361 0.907 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccccc1C=O ZINC000071959315 666191365 /nfs/dbraw/zinc/19/13/65/666191365.db2.gz VDADGZZZVGZBLS-NWDGAFQWSA-N 0 0 304.346 0.990 10 0 DCAERN CCOC(=O)[C@]1(C)CC(=O)N(CN2CCC([C@H](C)O)CC2)C1 ZINC000184874494 666297091 /nfs/dbraw/zinc/29/70/91/666297091.db2.gz MOUFQAKGYZATSS-BLLLJJGKSA-N 0 0 312.410 0.838 10 0 DCAERN COc1cc(N2CCN(CN3C[C@H](C)CC3=O)CC2)ncn1 ZINC000185609073 666528620 /nfs/dbraw/zinc/52/86/20/666528620.db2.gz ZUWXSSRTJBOHPV-GFCCVEGCSA-N 0 0 305.382 0.433 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000360883687 666592793 /nfs/dbraw/zinc/59/27/93/666592793.db2.gz KVARWSJAAUGAKO-LBPRGKRZSA-N 0 0 313.423 0.330 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(F)c(F)nc(F)c1F ZINC000700320898 666713495 /nfs/dbraw/zinc/71/34/95/666713495.db2.gz WLZNUYMFVFKKDZ-CRCLSJGQSA-N 0 0 314.260 0.862 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NC1(C(N)=O)CCCC1 ZINC000733781172 666817761 /nfs/dbraw/zinc/81/77/61/666817761.db2.gz UVNGPTCGNXHUFJ-LLVKDONJSA-N 0 0 303.362 0.719 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000733879654 666823626 /nfs/dbraw/zinc/82/36/26/666823626.db2.gz QJBACPCDUYTTLM-AZNYZMOJSA-N 0 0 304.437 0.325 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000733882871 666823669 /nfs/dbraw/zinc/82/36/69/666823669.db2.gz QSEKLJWRBBGWFE-NRFANRHFSA-N 0 0 314.382 0.369 10 0 DCAERN C[C@H](CNC(=O)c1cc(Cl)c(Cl)n1C)S(N)(=O)=O ZINC000701337432 666832153 /nfs/dbraw/zinc/83/21/53/666832153.db2.gz SPOYEKDMURPYAE-RXMQYKEDSA-N 0 0 314.194 0.739 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000733965314 666833065 /nfs/dbraw/zinc/83/30/65/666833065.db2.gz XVLGXABUGLYGCC-NRFANRHFSA-N 0 0 306.391 0.981 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000733965730 666833076 /nfs/dbraw/zinc/83/30/76/666833076.db2.gz IJSBFDJVDTWPLG-YBTHPKLGSA-N 0 0 300.424 0.662 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000734449377 666876899 /nfs/dbraw/zinc/87/68/99/666876899.db2.gz YJUHIPUGXDGEQA-NWDGAFQWSA-N 0 0 302.396 0.220 10 0 DCAERN O=C(NCCOC[C@@H]1CCCO1)NC[C@H](O)C(F)(F)F ZINC000734677201 666901354 /nfs/dbraw/zinc/90/13/54/666901354.db2.gz MCJBOFHMUSMQRS-IUCAKERBSA-N 0 0 300.277 0.404 10 0 DCAERN CC[S@@](=O)CCNc1cc(C)nc2nc(C(=O)OC)nn21 ZINC000735075513 666942588 /nfs/dbraw/zinc/94/25/88/666942588.db2.gz LFICNQMJEFSNCX-OAQYLSRUSA-N 0 0 311.367 0.400 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000702431092 666956406 /nfs/dbraw/zinc/95/64/06/666956406.db2.gz RKTBPYDJCJZNOY-RUXDESIVSA-N 0 0 305.378 0.425 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000702818809 666999818 /nfs/dbraw/zinc/99/98/18/666999818.db2.gz ZIKWZBFRTUHFRT-PWSUYJOCSA-N 0 0 309.366 0.972 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2csnn2)C1 ZINC000702838546 667001722 /nfs/dbraw/zinc/00/17/22/667001722.db2.gz LYAKIBOVJFRIJJ-KOLCDFICSA-N 0 0 314.411 0.856 10 0 DCAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCNC(N)=O ZINC000735809562 667038821 /nfs/dbraw/zinc/03/88/21/667038821.db2.gz MUPDSPLQRQXQKW-AWEZNQCLSA-N 0 0 316.361 0.735 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000737214165 667102172 /nfs/dbraw/zinc/10/21/72/667102172.db2.gz BWFCTNCUODNXFM-IBGZPJMESA-N 0 0 303.771 0.558 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391019 667123983 /nfs/dbraw/zinc/12/39/83/667123983.db2.gz QNKUGRZDFWHRSX-OCCSQVGLSA-N 0 0 305.378 0.820 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088140 667178068 /nfs/dbraw/zinc/17/80/68/667178068.db2.gz XENCWFWTSXVPIO-QWHCGFSZSA-N 0 0 305.440 0.816 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)OCCc2cn[nH]c2)c1 ZINC000120191597 667275689 /nfs/dbraw/zinc/27/56/89/667275689.db2.gz FWZIPCRWJCBIAU-NSCUHMNNSA-N 0 0 300.318 0.963 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCc1cc(=O)c(O)co1 ZINC000736766495 667290178 /nfs/dbraw/zinc/29/01/78/667290178.db2.gz ONMLKYPCNLWODQ-UHFFFAOYSA-N 0 0 319.269 0.567 10 0 DCAERN CN(CC(=O)OC(C)(C)C)Cn1nc(CO)n(C)c1=S ZINC000120503790 667321260 /nfs/dbraw/zinc/32/12/60/667321260.db2.gz MWNFWYIHJZXFPX-UHFFFAOYSA-N 0 0 302.400 0.674 10 0 DCAERN O=S(=O)(N1CC[C@H](c2nccs2)C1)N1CCNCC1 ZINC000710535696 667445709 /nfs/dbraw/zinc/44/57/09/667445709.db2.gz CMLLNHGITLAUQS-JTQLQIEISA-N 0 0 302.425 0.082 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@H]1CCC2(CCC2)O1 ZINC000711433887 667464680 /nfs/dbraw/zinc/46/46/80/667464680.db2.gz WVGUBWHQWJOMMH-LLVKDONJSA-N 0 0 305.396 0.961 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000121691929 667471672 /nfs/dbraw/zinc/47/16/72/667471672.db2.gz FSEAIOOUJRQHEH-AWEZNQCLSA-N 0 0 319.336 0.913 10 0 DCAERN CCN1CCO[C@H](CNC(=O)c2ccc(C(N)=S)cc2)C1 ZINC000134706181 667551450 /nfs/dbraw/zinc/55/14/50/667551450.db2.gz XVRNAAHJASTCPP-CYBMUJFWSA-N 0 0 307.419 0.771 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1n[nH]cc1Br ZINC000738485442 667676090 /nfs/dbraw/zinc/67/60/90/667676090.db2.gz YJEYMEBBLMHIEE-QGZVFWFLSA-N 0 0 323.216 0.740 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1C[C@@H](C)O ZINC000122731174 667676326 /nfs/dbraw/zinc/67/63/26/667676326.db2.gz POMDVGUSAYXEAO-OLZOCXBDSA-N 0 0 307.460 0.348 10 0 DCAERN COC(=O)C[C@@H]1CCCCN1Cn1nc(C(=O)OC)ccc1=O ZINC000739840934 667721382 /nfs/dbraw/zinc/72/13/82/667721382.db2.gz BALYJLINMZZQHY-NSHDSACASA-N 0 0 323.349 0.405 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@H](C(F)(F)F)C2)n1 ZINC000739874558 667722597 /nfs/dbraw/zinc/72/25/97/667722597.db2.gz MOMJVJQFZYUBQF-VIFPVBQESA-N 0 0 321.255 0.251 10 0 DCAERN Cc1cnccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026649 667725230 /nfs/dbraw/zinc/72/52/30/667725230.db2.gz APQFWFRVBWNHCT-MRXNPFEDSA-N 0 0 304.394 0.152 10 0 DCAERN Cc1cc(CN2CCN([C@@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886026658 667725342 /nfs/dbraw/zinc/72/53/42/667725342.db2.gz CDYXBUKRQPRMCK-KRWDZBQOSA-N 0 0 321.396 0.896 10 0 DCAERN CC(C)n1cncc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026738 667725427 /nfs/dbraw/zinc/72/54/27/667725427.db2.gz SKAAEACOMRKLCP-INIZCTEOSA-N 0 0 321.425 0.226 10 0 DCAERN CC(=O)N1C[C@@H](NC(=O)Cn2cccn2)CC[C@H]1C(F)(F)F ZINC000886031780 667725923 /nfs/dbraw/zinc/72/59/23/667725923.db2.gz WPANCUVHHADQBV-QWRGUYRKSA-N 0 0 318.299 0.941 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ccnc(C(N)=O)c3)C[C@@H]21 ZINC000886034106 667726155 /nfs/dbraw/zinc/72/61/55/667726155.db2.gz OSMYSTSOBVVJIJ-UONOGXRCSA-N 0 0 304.350 0.007 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2nncn2C2CC2)C1=O ZINC000886077698 667729049 /nfs/dbraw/zinc/72/90/49/667729049.db2.gz GHDYGSFPXRQBRX-NSHDSACASA-N 0 0 307.354 0.579 10 0 DCAERN CCn1ncnc1CN1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886080512 667729394 /nfs/dbraw/zinc/72/93/94/667729394.db2.gz WDGNZJPJPGKELZ-CQSZACIVSA-N 0 0 306.370 0.559 10 0 DCAERN COc1ncccc1CCNC(=O)CN1CCCC[C@H](O)C1=O ZINC000886078435 667729805 /nfs/dbraw/zinc/72/98/05/667729805.db2.gz ZAVNYOZFHPXBJK-ZDUSSCGKSA-N 0 0 321.377 0.122 10 0 DCAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2ccon2)CCC(=O)N1C ZINC000886085283 667730040 /nfs/dbraw/zinc/73/00/40/667730040.db2.gz JRAMHERWXXZGMF-MFKMUULPSA-N 0 0 317.349 0.748 10 0 DCAERN CCOC1CC(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)C1 ZINC000886084643 667730254 /nfs/dbraw/zinc/73/02/54/667730254.db2.gz UTMMHVVWESXZDP-SEEARECTSA-N 0 0 322.409 0.526 10 0 DCAERN CCc1[nH]ccc1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886095189 667731807 /nfs/dbraw/zinc/73/18/07/667731807.db2.gz NLCGLGBEOXWWAJ-INIZCTEOSA-N 0 0 317.393 0.915 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCCOC[C@@H]1CCCO1 ZINC000741316013 667767643 /nfs/dbraw/zinc/76/76/43/667767643.db2.gz UUNLKLPSZXGSLC-LBPRGKRZSA-N 0 0 323.345 0.903 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000741416932 667770513 /nfs/dbraw/zinc/77/05/13/667770513.db2.gz JDMHWBBLXUWPOJ-FKIZINRSSA-N 0 0 302.371 0.927 10 0 DCAERN COC(=O)/C(C)=C\CN1C(=O)N[C@](C)(c2ccccn2)C1=O ZINC000742205430 667783993 /nfs/dbraw/zinc/78/39/93/667783993.db2.gz BYHXMYUHJXVLHU-YYRKOSNBSA-N 0 0 303.318 0.968 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC=CCN2)N1Cc1ccccc1 ZINC000826846985 668138361 /nfs/dbraw/zinc/13/83/61/668138361.db2.gz VSZRPLUHOAYSET-LSDHHAIUSA-N 0 0 314.389 0.408 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C[C@H](C)S1 ZINC000125098055 668205993 /nfs/dbraw/zinc/20/59/93/668205993.db2.gz ISDMRTULJOLKNQ-OUAUKWLOSA-N 0 0 306.453 0.116 10 0 DCAERN Cc1ccc(CN(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126472432 668600486 /nfs/dbraw/zinc/60/04/86/668600486.db2.gz HUHCFMFJVMPOLJ-AWEZNQCLSA-N 0 0 310.419 0.730 10 0 DCAERN CN(Cc1ccccc1F)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126497336 668614823 /nfs/dbraw/zinc/61/48/23/668614823.db2.gz GYEQPPPAPIMGGS-LBPRGKRZSA-N 0 0 314.382 0.561 10 0 DCAERN CCOc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126562010 668626017 /nfs/dbraw/zinc/62/60/17/668626017.db2.gz RQMVSSSTLWJMMC-GFCCVEGCSA-N 0 0 312.391 0.801 10 0 DCAERN C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126703789 668645962 /nfs/dbraw/zinc/64/59/62/668645962.db2.gz VJRCXIVSMJBFHQ-JHJVBQTASA-N 0 0 302.440 0.706 10 0 DCAERN Cc1cc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)ccc1F ZINC000126741288 668652814 /nfs/dbraw/zinc/65/28/14/668652814.db2.gz UDMJBAPJDRFIRA-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cc(F)c(F)cc1F ZINC000126739718 668653002 /nfs/dbraw/zinc/65/30/02/668653002.db2.gz ZSTHHJUDZPZLTQ-SSDOTTSWSA-N 0 0 322.308 0.819 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCOC1CCCCC1 ZINC000126779268 668657700 /nfs/dbraw/zinc/65/77/00/668657700.db2.gz DMYLBXYFKUSJAT-LBPRGKRZSA-N 0 0 318.439 0.229 10 0 DCAERN CC1(C)CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126859377 668671662 /nfs/dbraw/zinc/67/16/62/668671662.db2.gz NMDWVYRMTJAYEO-NEPJUHHUSA-N 0 0 302.440 0.848 10 0 DCAERN CN1C[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)CCC1=O ZINC000126902702 668683462 /nfs/dbraw/zinc/68/34/62/668683462.db2.gz IDFIHTRSQDULBV-SBKAZYGRSA-N 0 0 303.428 0.454 10 0 DCAERN Cc1cc2nccc(NC(=O)N3CC(NC(=O)C4CC4)C3)n2n1 ZINC000932451596 669367799 /nfs/dbraw/zinc/36/77/99/669367799.db2.gz XHTQWCXXRCHRCW-UHFFFAOYSA-N 0 0 314.349 0.780 10 0 DCAERN COc1ccnc(CN2CCC[C@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044432 669771631 /nfs/dbraw/zinc/77/16/31/669771631.db2.gz NNNNZIHXGVJNJS-OAHLLOKOSA-N 0 0 319.365 0.701 10 0 DCAERN C[C@@H]1CN(CN2Cc3ccc(F)cc3C2=O)CCS1(=O)=O ZINC000133464507 669810586 /nfs/dbraw/zinc/81/05/86/669810586.db2.gz RQGRGUSBJWOUTP-SNVBAGLBSA-N 0 0 312.366 0.858 10 0 DCAERN COC(=O)c1cn(CN2CCN(c3ccccn3)CC2)nn1 ZINC000042081032 669826300 /nfs/dbraw/zinc/82/63/00/669826300.db2.gz AKYPORQKRVVWHJ-UHFFFAOYSA-N 0 0 302.338 0.239 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)c1ccsc1 ZINC000155502015 669833293 /nfs/dbraw/zinc/83/32/93/669833293.db2.gz WMKXDWJLZMNLMW-MNOVXSKESA-N 0 0 300.405 0.819 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCN1CC(F)(F)F ZINC000155675144 669834594 /nfs/dbraw/zinc/83/45/94/669834594.db2.gz ZPHIBJZRRIEPGQ-SFYZADRCSA-N 0 0 311.329 0.906 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000156137200 669838416 /nfs/dbraw/zinc/83/84/16/669838416.db2.gz ZHAYUCIFFVKTSB-VXNVDRBHSA-N 0 0 314.773 0.351 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cccnc2Cl)CCN1CCO ZINC000187661076 669947145 /nfs/dbraw/zinc/94/71/45/669947145.db2.gz LQFXONXMZRZYOQ-NSHDSACASA-N 0 0 312.801 0.672 10 0 DCAERN O=C(c1ccncc1Br)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000395827942 1157952689 /nfs/dbraw/zinc/95/26/89/1157952689.db2.gz XBYWZPNZIHZDJZ-OCAPTIKFSA-N 0 0 324.134 0.189 10 0 DCAERN Cn1cc(CN[C@H]2CCCCNC2=O)c(Br)n1 ZINC000712476530 670149737 /nfs/dbraw/zinc/14/97/37/670149737.db2.gz NBMMJQVCKCJQDO-VIFPVBQESA-N 0 0 301.188 0.941 10 0 DCAERN C[C@H]1CC(=O)NCCN1Cc1cn(C)nc1Br ZINC000713862348 670171076 /nfs/dbraw/zinc/17/10/76/670171076.db2.gz ATAXDLFYIRLMNW-QMMMGPOBSA-N 0 0 301.188 0.893 10 0 DCAERN NS(=O)(=O)C1(CNc2ncc(Br)cn2)CC1 ZINC000713945154 670172014 /nfs/dbraw/zinc/17/20/14/670172014.db2.gz VVBPJOJGRPIRBI-UHFFFAOYSA-N 0 0 307.173 0.472 10 0 DCAERN Cn1cc(CN2CCC[C@@](O)(CO)C2)c(Br)n1 ZINC000714080966 670177827 /nfs/dbraw/zinc/17/78/27/670177827.db2.gz GHQPWBZTVTVNOR-NSHDSACASA-N 0 0 304.188 0.502 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccc(Br)cc2)C1 ZINC000714459416 670188961 /nfs/dbraw/zinc/18/89/61/670188961.db2.gz PDZPGSCOLFETSD-UHFFFAOYSA-N 0 0 314.135 0.809 10 0 DCAERN CCOC(CC(=O)NCC[C@H]1CCCS1(=O)=O)OCC ZINC000714348016 670184758 /nfs/dbraw/zinc/18/47/58/670184758.db2.gz QFSNHDKBZHWYPH-LLVKDONJSA-N 0 0 307.412 0.859 10 0 DCAERN C[C@](O)(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccco1 ZINC000190003285 670188488 /nfs/dbraw/zinc/18/84/88/670188488.db2.gz PNROIWPHNURQOE-HNNXBMFYSA-N 0 0 314.301 0.549 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)O[C@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000190058524 670200091 /nfs/dbraw/zinc/20/00/91/670200091.db2.gz IMXNOQWOIAKTOV-OBJOEFQTSA-N 0 0 307.350 0.662 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)CCCC1CC1 ZINC000714974528 670200267 /nfs/dbraw/zinc/20/02/67/670200267.db2.gz KKPWVLIZWRIHQO-GFCCVEGCSA-N 0 0 324.468 0.649 10 0 DCAERN CC(C)(C)n1nnc(C(=O)N[C@H]2CCCC3(C2)OCCO3)n1 ZINC000715685429 670220348 /nfs/dbraw/zinc/22/03/48/670220348.db2.gz VYKKJJBXMYXCAG-JTQLQIEISA-N 0 0 309.370 0.844 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@@H]2CCCC23OCCO3)no1 ZINC000715932747 670226326 /nfs/dbraw/zinc/22/63/26/670226326.db2.gz OYRINJDFLPBSQY-LLVKDONJSA-N 0 0 302.352 0.698 10 0 DCAERN O=C1CCC(S(=O)(=O)N[C@@H]2CCCC23OCCO3)CC1 ZINC000715964847 670226852 /nfs/dbraw/zinc/22/68/52/670226852.db2.gz HMNGZIQJTFKHRH-GFCCVEGCSA-N 0 0 303.380 0.713 10 0 DCAERN NC(=O)C1CC(Nc2ncc(I)cn2)C1 ZINC000716754268 670271886 /nfs/dbraw/zinc/27/18/86/670271886.db2.gz GUEWJXNINTYWLH-UHFFFAOYSA-N 0 0 318.118 0.757 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000077444072 670410993 /nfs/dbraw/zinc/41/09/93/670410993.db2.gz PTVRQKIFUGCWLE-GFCCVEGCSA-N 0 0 301.346 0.841 10 0 DCAERN O=C(COC(=O)[C@H]1CNC(=O)C1)N[C@H]1CCCc2ccccc21 ZINC000194814470 670457336 /nfs/dbraw/zinc/45/73/36/670457336.db2.gz BHVAUEXFPOZTEJ-OCCSQVGLSA-N 0 0 316.357 0.860 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)OCc2noc(C)n2)c1 ZINC000111952174 670527302 /nfs/dbraw/zinc/52/73/02/670527302.db2.gz QUGRQBYEAYHADS-ONEGZZNKSA-N 0 0 302.290 0.889 10 0 DCAERN CC(C)OCCCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000113472804 670731293 /nfs/dbraw/zinc/73/12/93/670731293.db2.gz PYQVCZYPTFYINU-VOTSOKGWSA-N 0 0 310.350 0.456 10 0 DCAERN Cn1cc([C@H]2CCN(Cn3nnc4ccccc4c3=O)C2)cn1 ZINC000116257838 671029910 /nfs/dbraw/zinc/02/99/10/671029910.db2.gz PCOGZLRCNCEADX-LBPRGKRZSA-N 0 0 310.361 0.972 10 0 DCAERN Cc1nc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cs1 ZINC000116835445 671125820 /nfs/dbraw/zinc/12/58/20/671125820.db2.gz ZMMFEQWPIDUOIV-VIFPVBQESA-N 0 0 303.409 0.144 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2ncn(C3CC3)c2=S)C1 ZINC000116869171 671132216 /nfs/dbraw/zinc/13/22/16/671132216.db2.gz RXNCDAKFCREJKY-SECBINFHSA-N 0 0 317.440 0.330 10 0 DCAERN COC[C@@]1(C(N)=O)CCCN1C(=O)[C@@H](C)c1cccc(O)c1 ZINC000823330945 671387526 /nfs/dbraw/zinc/38/75/26/671387526.db2.gz MEPOSFIQGUVLEX-MEDUHNTESA-N 0 0 306.362 0.989 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCC3(CCC3)O2)C1 ZINC000716949594 671779867 /nfs/dbraw/zinc/77/98/67/671779867.db2.gz ZVHISVSUDIVWIX-WDEREUQCSA-N 0 0 302.396 0.368 10 0 DCAERN C[S@](=O)C1(CNc2nc(N)nc(C(F)(F)F)n2)CCC1 ZINC000393711027 685264487 /nfs/dbraw/zinc/26/44/87/685264487.db2.gz KSNKQOSYMLOYQY-FQEVSTJZSA-N 0 0 309.317 0.438 10 0 DCAERN N#Cc1cc(Br)cnc1N1CC[C@H](O)[C@@H](CO)C1 ZINC000396809854 685271749 /nfs/dbraw/zinc/27/17/49/685271749.db2.gz OHGCCIWXXYMDFP-KOLCDFICSA-N 0 0 312.167 0.895 10 0 DCAERN O=S(=O)(c1ccc(N2CCOC[C@@H](O)C2)cc1)C(F)F ZINC000399844703 685275590 /nfs/dbraw/zinc/27/55/90/685275590.db2.gz HVIWCQOXHDDBLN-JTQLQIEISA-N 0 0 307.318 0.880 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC(C3OCCO3)CC2)no1 ZINC000718971371 685306655 /nfs/dbraw/zinc/30/66/55/685306655.db2.gz NSTBZFFULIXJCD-UHFFFAOYSA-N 0 0 316.379 0.898 10 0 DCAERN C[C@H](C(=O)NCc1ncc(Cl)s1)N1CCNCC1=O ZINC000719443273 685311138 /nfs/dbraw/zinc/31/11/38/685311138.db2.gz UBKWGNVOFXKNBW-SSDOTTSWSA-N 0 0 302.787 0.233 10 0 DCAERN Cn1cc(CC(=O)NCc2cn(C)nc2Br)cn1 ZINC000720125407 685312181 /nfs/dbraw/zinc/31/21/81/685312181.db2.gz PYAHJZPWUQFSRG-UHFFFAOYSA-N 0 0 312.171 0.775 10 0 DCAERN Cn1cc(CNC(=O)N2CCOCC2)c(Br)n1 ZINC000720099369 685312403 /nfs/dbraw/zinc/31/24/03/685312403.db2.gz MXDGYHLCJZZDQX-UHFFFAOYSA-N 0 0 303.160 0.724 10 0 DCAERN CC(C)(NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)[O-] ZINC000720479227 685313489 /nfs/dbraw/zinc/31/34/89/685313489.db2.gz BHLPLJJVXRMIHE-VHSXEESVSA-N 0 0 301.412 0.729 10 0 DCAERN CO[C@]1(CNC(=S)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000720913887 685316871 /nfs/dbraw/zinc/31/68/71/685316871.db2.gz ITHAOMMUBPDUCK-ZDUSSCGKSA-N 0 0 320.480 0.987 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC1(C)CC(F)(F)C1 ZINC000720909676 685317633 /nfs/dbraw/zinc/31/76/33/685317633.db2.gz FQMQWNSYJYZVFU-UHFFFAOYSA-N 0 0 314.354 0.751 10 0 DCAERN CCOc1cc(NCC[C@H]2CNCCS2(=O)=O)ncn1 ZINC000721807857 685319252 /nfs/dbraw/zinc/31/92/52/685319252.db2.gz QAEPJLDHONBVMC-JTQLQIEISA-N 0 0 300.384 0.064 10 0 DCAERN NC(=O)CONC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000089465519 685100350 /nfs/dbraw/zinc/10/03/50/685100350.db2.gz SAJJCQXLMQFRJM-UHFFFAOYSA-N 0 0 302.290 0.761 10 0 DCAERN CC(C)N1C[C@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1=O ZINC000158256638 685137289 /nfs/dbraw/zinc/13/72/89/685137289.db2.gz UOCXHYTUBHJRTQ-CQSZACIVSA-N 0 0 321.421 0.714 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177399112 685147104 /nfs/dbraw/zinc/14/71/04/685147104.db2.gz ARBVQXLHHNCPTB-GJZGRUSLSA-N 0 0 321.425 0.778 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000178125247 685150209 /nfs/dbraw/zinc/15/02/09/685150209.db2.gz GAAKRMMXPJUSMO-KRWDZBQOSA-N 0 0 316.357 0.753 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCC[C@H]1CCCO1)c2=O ZINC000177952578 685150366 /nfs/dbraw/zinc/15/03/66/685150366.db2.gz RWKFRLFVDCALLY-SNVBAGLBSA-N 0 0 306.322 0.242 10 0 DCAERN CCN(CCS(C)(=O)=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245550613 685157449 /nfs/dbraw/zinc/15/74/49/685157449.db2.gz ORMBSCPUBNJNOU-VXGBXAGGSA-N 0 0 314.407 0.262 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245663108 685157849 /nfs/dbraw/zinc/15/78/49/685157849.db2.gz AHGXATPNLHBEGE-ZENOOKHLSA-N 0 0 322.405 0.642 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCOC2(CCOCC2)C1 ZINC000247421308 685171733 /nfs/dbraw/zinc/17/17/33/685171733.db2.gz YZUWGVBFSMIFQJ-ZIAGYGMSSA-N 0 0 320.389 0.777 10 0 DCAERN CCN1CCCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1=O ZINC000249259514 685178573 /nfs/dbraw/zinc/17/85/73/685178573.db2.gz HUAXFIIQQRBRTD-CHWSQXEVSA-N 0 0 305.378 0.449 10 0 DCAERN CCN1CCC[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751647 685183671 /nfs/dbraw/zinc/18/36/71/685183671.db2.gz DCJQLNMGUCTUBO-RYUDHWBXSA-N 0 0 320.480 0.507 10 0 DCAERN CC(=O)N1CCCN(C(=O)[C@H]2CCc3cnn(C)c3C2)CC1 ZINC000281168698 685198094 /nfs/dbraw/zinc/19/80/94/685198094.db2.gz HPNUJWVLNYXEBX-ZDUSSCGKSA-N 0 0 304.394 0.606 10 0 DCAERN CC(C)[C@H]1CN(S(=O)(=O)c2cnc(N)nc2)CCCO1 ZINC000378860394 685234955 /nfs/dbraw/zinc/23/49/55/685234955.db2.gz OWUTZSHKIWFIKX-LLVKDONJSA-N 0 0 300.384 0.325 10 0 DCAERN Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000380125676 685236869 /nfs/dbraw/zinc/23/68/69/685236869.db2.gz LXAYWCQMWSGGEZ-GFCCVEGCSA-N 0 0 318.160 0.759 10 0 DCAERN CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000380288322 685237082 /nfs/dbraw/zinc/23/70/82/685237082.db2.gz RMFUBDNEXKPVPK-JHJVBQTASA-N 0 0 302.440 0.800 10 0 DCAERN CC(CO)(CO)CNC(=O)c1ccc(Br)cc1N ZINC000393854465 1157897272 /nfs/dbraw/zinc/89/72/72/1157897272.db2.gz HGKWAZUFWLTVHJ-UHFFFAOYSA-N 0 0 317.183 0.752 10 0 DCAERN C[C@H](NC(=O)c1c(Br)nnn1C)c1csnn1 ZINC000398395466 1158118304 /nfs/dbraw/zinc/11/83/04/1158118304.db2.gz TTXZYRPAFCTEFY-BYPYZUCNSA-N 0 0 317.172 0.920 10 0 DCAERN COC(CNC(=O)c1cccc(NS(C)(=O)=O)c1)OC ZINC000586584470 1158181002 /nfs/dbraw/zinc/18/10/02/1158181002.db2.gz MLGPHZFANKYYIY-UHFFFAOYSA-N 0 0 302.352 0.407 10 0 DCAERN NC(=O)CONC(=O)c1cnc(Cl)c(Br)c1 ZINC000309366475 1158195900 /nfs/dbraw/zinc/19/59/00/1158195900.db2.gz ALGVZGOOQMILFO-UHFFFAOYSA-N 0 0 308.519 0.644 10 0 DCAERN Cc1cc(C(=O)NCCNC(=O)c2ccccc2O)n(C)n1 ZINC000065669668 1173746360 /nfs/dbraw/zinc/74/63/60/1173746360.db2.gz LOGZESCPCABNJS-UHFFFAOYSA-N 0 0 302.334 0.594 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000069140291 1173801025 /nfs/dbraw/zinc/80/10/25/1173801025.db2.gz KBVBCDAHRBHGDB-ZETCQYMHSA-N 0 0 304.318 0.854 10 0 DCAERN COC(CNC(=O)c1ccc(CS(C)(=O)=O)cc1)OC ZINC000075303480 1173931303 /nfs/dbraw/zinc/93/13/03/1173931303.db2.gz NBOWEWRHCBAFDP-UHFFFAOYSA-N 0 0 301.364 0.580 10 0 DCAERN CSc1nc(=O)[nH]c(C)c1C(=O)NCCCc1nnc[nH]1 ZINC000080567559 1174479688 /nfs/dbraw/zinc/47/96/88/1174479688.db2.gz ROYXWZPKQMZRTG-UHFFFAOYSA-N 0 0 308.367 0.281 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000095348933 1175776900 /nfs/dbraw/zinc/77/69/00/1175776900.db2.gz FOJVGXRTSAHCDN-HTQZYQBOSA-N 0 0 307.272 0.776 10 0 DCAERN C#CCOCCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000133985791 1177529864 /nfs/dbraw/zinc/52/98/64/1177529864.db2.gz FRZUNQROGGGOEJ-UHFFFAOYSA-N 0 0 321.421 0.087 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1cc(Cl)ccc1N ZINC000230978473 1180555018 /nfs/dbraw/zinc/55/50/18/1180555018.db2.gz GRGVDYBAOQLXPS-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN COCCNC(=O)CNC(=O)/C=C(/C)c1ccc(OC)cc1 ZINC000255020643 1183659825 /nfs/dbraw/zinc/65/98/25/1183659825.db2.gz MXYRYRYSBVBKAG-BENRWUELSA-N 0 0 306.362 0.977 10 0 DCAERN CCN(C(=O)Cn1nnc2ccccc21)[C@H](C)CS(C)(=O)=O ZINC000171999660 1183797510 /nfs/dbraw/zinc/79/75/10/1183797510.db2.gz DQMAXURXVRTIOR-LLVKDONJSA-N 0 0 324.406 0.713 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)Cn2nnc3ccccc32)CCS1(=O)=O ZINC000172399493 1183845282 /nfs/dbraw/zinc/84/52/82/1183845282.db2.gz RTSCNTTVMZSFPY-WDEREUQCSA-N 0 0 322.390 0.465 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000175235197 1184063434 /nfs/dbraw/zinc/06/34/34/1184063434.db2.gz JCUIHQBLTWRNEJ-CYBMUJFWSA-N 0 0 314.407 0.426 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccsc1 ZINC000175398112 1184089839 /nfs/dbraw/zinc/08/98/39/1184089839.db2.gz DXZNEDWCTKHYJP-JTQLQIEISA-N 0 0 306.409 0.179 10 0 DCAERN C[C@H](Cc1ccsc1)N(C)C(=O)NCCN1C(=O)CNC1=O ZINC000176075321 1184124533 /nfs/dbraw/zinc/12/45/33/1184124533.db2.gz IQOFDJFEVJBWDZ-SNVBAGLBSA-N 0 0 324.406 0.872 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000176368210 1184165923 /nfs/dbraw/zinc/16/59/23/1184165923.db2.gz CLUDVZXLHZYXDC-NSHDSACASA-N 0 0 320.393 0.738 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCNC(=O)C1CCC1 ZINC000176988203 1184225288 /nfs/dbraw/zinc/22/52/88/1184225288.db2.gz WQPSJAGUWLAUJC-UHFFFAOYSA-N 0 0 315.377 0.854 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)c1cccs1 ZINC000176989865 1184225399 /nfs/dbraw/zinc/22/53/99/1184225399.db2.gz VBZAYFVMJIJUJN-GFCCVEGCSA-N 0 0 320.436 0.353 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000177884939 1184326792 /nfs/dbraw/zinc/32/67/92/1184326792.db2.gz URYMYIORAMGKJF-HNNXBMFYSA-N 0 0 302.334 0.843 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@H](OCCO)C1 ZINC000178622318 1185004217 /nfs/dbraw/zinc/00/42/17/1185004217.db2.gz BECHSYQKQWPWNN-LBPRGKRZSA-N 0 0 304.350 0.431 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1ncc(Cl)n1C ZINC000183213417 1185191361 /nfs/dbraw/zinc/19/13/61/1185191361.db2.gz WBNVTHBUUVKNEG-UHFFFAOYSA-N 0 0 322.818 0.313 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000185957731 1187333013 /nfs/dbraw/zinc/33/30/13/1187333013.db2.gz JAJISOXXTYYYFU-VXGBXAGGSA-N 0 0 304.350 0.430 10 0 DCAERN Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000388732994 1190698362 /nfs/dbraw/zinc/69/83/62/1190698362.db2.gz BOVSFNHZVSKENM-CQSZACIVSA-N 0 0 306.322 0.035 10 0 DCAERN Cn1cc(/C=C\C(=O)OCC2(C)CCOCC2)c(=O)n(C)c1=O ZINC000588510537 747380725 /nfs/dbraw/zinc/38/07/25/747380725.db2.gz DFXCXQJIDGWVHC-PLNGDYQASA-N 0 0 322.361 0.457 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)c2ccn[nH]2)cc1 ZINC000062777993 760848304 /nfs/dbraw/zinc/84/83/04/760848304.db2.gz AVLJLTDNIPXHCK-UHFFFAOYSA-N 0 0 308.363 0.420 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cccnc2F)C[C@@H](CO)O1 ZINC000401805952 774066783 /nfs/dbraw/zinc/06/67/83/774066783.db2.gz BVDLUMVXWLJLLO-VIFPVBQESA-N 0 0 304.343 0.381 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000401877031 774069273 /nfs/dbraw/zinc/06/92/73/774069273.db2.gz FSJJHUHBRJIYEU-GFCCVEGCSA-N 0 0 303.384 0.189 10 0 DCAERN Cn1ncc(C(=O)NCC[C@@]2(O)CCOC2)c1Br ZINC000403138672 774097503 /nfs/dbraw/zinc/09/75/03/774097503.db2.gz URRSYTWMPMIEOX-LLVKDONJSA-N 0 0 318.171 0.454 10 0 DCAERN C[C@H](CCO)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307890811 774140541 /nfs/dbraw/zinc/14/05/41/774140541.db2.gz ILIUXRBWPLJZOY-SECBINFHSA-N 0 0 300.380 0.421 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1nscc1Br ZINC000404966829 774145230 /nfs/dbraw/zinc/14/52/30/774145230.db2.gz XTSFUHYSCIPJDH-UHFFFAOYSA-N 0 0 313.198 0.680 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690832409 954676548 /nfs/dbraw/zinc/67/65/48/954676548.db2.gz RTZMQJHEAAGAPW-GRYCIOLGSA-N 0 0 304.412 0.453 10 0 DCAERN COC[C@]1(C(=O)[O-])CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000696832619 954820810 /nfs/dbraw/zinc/82/08/10/954820810.db2.gz CQFYGLCVSRZROW-YPMHNXCESA-N 0 0 305.396 0.234 10 0 DCAERN C[C@@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C(=O)[O-] ZINC000690820616 968906052 /nfs/dbraw/zinc/90/60/52/968906052.db2.gz XLJDUCCKLBAYIA-UTUOFQBUSA-N 0 0 304.412 0.453 10 0 DCAERN CCCS(=O)(=O)CC[N@@H+]1CCCC[C@@]1(COC)C(=O)[O-] ZINC000692333609 976422774 /nfs/dbraw/zinc/42/27/74/976422774.db2.gz YCBMRLUTXJRODU-CYBMUJFWSA-N 0 0 307.412 0.767 10 0 DCAERN C[C@H]1CCSCCN1C(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000287621490 290610862 /nfs/dbraw/zinc/61/08/62/290610862.db2.gz FKPJFSWMQVBGQM-QWRGUYRKSA-N 0 0 323.422 0.583 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCOCC23CCC3)C[C@H](C)O1 ZINC000123703040 300282857 /nfs/dbraw/zinc/28/28/57/300282857.db2.gz KHLYSOMGNGIEFW-RYUDHWBXSA-N 0 0 304.412 0.595 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1F ZINC000181301562 199278878 /nfs/dbraw/zinc/27/88/78/199278878.db2.gz POCWXJWZWNDEOK-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN Cc1nc2cncc(N3CCN(Cc4csnn4)CC3)n2n1 ZINC000328621135 231250495 /nfs/dbraw/zinc/25/04/95/231250495.db2.gz AHMQXISQQRKUCJ-UHFFFAOYSA-N 0 0 316.394 0.606 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000179397133 529508911 /nfs/dbraw/zinc/50/89/11/529508911.db2.gz KCOSEJRAWPTERC-GJZGRUSLSA-N 0 0 311.426 0.160 10 0 DCAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)[C@@H]1CCCO1 ZINC000087896328 185235617 /nfs/dbraw/zinc/23/56/17/185235617.db2.gz NMHGLLJEPUWEAO-UFBFGSQYSA-N 0 0 316.354 0.770 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088694419 185262584 /nfs/dbraw/zinc/26/25/84/185262584.db2.gz IHFUZIOBQJGBPH-MNOVXSKESA-N 0 0 314.411 0.345 10 0 DCAERN O=C(Cc1cncnc1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000278995822 214559204 /nfs/dbraw/zinc/55/92/04/214559204.db2.gz ZXYFAFKFDZRXEP-CQSZACIVSA-N 0 0 302.378 0.784 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN2CCOCC2=O)c1 ZINC000279283859 214763389 /nfs/dbraw/zinc/76/33/89/214763389.db2.gz LQOQLQZFRKQNOL-UHFFFAOYSA-N 0 0 305.334 0.467 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561430 185303471 /nfs/dbraw/zinc/30/34/71/185303471.db2.gz FMUSCZSDRYMZSJ-CYBMUJFWSA-N 0 0 320.393 0.673 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ncccc1C(F)(F)F ZINC000092519512 185323914 /nfs/dbraw/zinc/32/39/14/185323914.db2.gz FJBYWICUWBVJNC-ZETCQYMHSA-N 0 0 301.224 0.635 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](CC)C1)CC2 ZINC000172038904 529751242 /nfs/dbraw/zinc/75/12/42/529751242.db2.gz JDTRLTBKSLEVDH-VXGBXAGGSA-N 0 0 307.398 0.976 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228354 529788474 /nfs/dbraw/zinc/78/84/74/529788474.db2.gz DVRVNLHUCPZYIX-LBPRGKRZSA-N 0 0 321.377 0.561 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713378 529789394 /nfs/dbraw/zinc/78/93/94/529789394.db2.gz FVFCNXFSOBKZHE-CHWSQXEVSA-N 0 0 307.398 0.629 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000190206117 529846873 /nfs/dbraw/zinc/84/68/73/529846873.db2.gz JKVAFPUINRKNGO-PWSUYJOCSA-N 0 0 304.412 0.342 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000179078425 529896012 /nfs/dbraw/zinc/89/60/12/529896012.db2.gz QAAIVQIFOUISTK-JTQLQIEISA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CCN(c2cccnn2)CC1)C(C)C ZINC000178409066 529919219 /nfs/dbraw/zinc/91/92/19/529919219.db2.gz OMBUFEBLPUCMFT-CYBMUJFWSA-N 0 0 320.397 0.079 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CCN(c2cnccn2)CC1)C(C)C ZINC000178396623 529919242 /nfs/dbraw/zinc/91/92/42/529919242.db2.gz TXLALPDQYLXXED-CYBMUJFWSA-N 0 0 320.397 0.079 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000178438740 529919370 /nfs/dbraw/zinc/91/93/70/529919370.db2.gz FKPZCXVPSGVYLX-LDYMZIIASA-N 0 0 311.304 0.466 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1SCCc2sccc21 ZINC000153526414 295714912 /nfs/dbraw/zinc/71/49/12/295714912.db2.gz VDRLBLMVYQZUAZ-LDYMZIIASA-N 0 0 310.400 1.000 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1(C(N)=O)CCCC1 ZINC000120107154 282347894 /nfs/dbraw/zinc/34/78/94/282347894.db2.gz FJLZHKOUELXPOV-UONOGXRCSA-N 0 0 323.437 0.886 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCNC(=O)C2)CCS1(=O)=O ZINC000408379369 282364340 /nfs/dbraw/zinc/36/43/40/282364340.db2.gz ZNHINSUELKQWPA-LLVKDONJSA-N 0 0 316.423 0.328 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@]2(O)CCSC2)CCS1(=O)=O ZINC000408378957 282365880 /nfs/dbraw/zinc/36/58/80/282365880.db2.gz HYYRTCVUHNOAIG-CYBMUJFWSA-N 0 0 321.464 0.670 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(N)=S)cc2)CCS1(=O)=O ZINC000281578415 290768033 /nfs/dbraw/zinc/76/80/33/290768033.db2.gz MRFXBUBWZIQURC-VIFPVBQESA-N 0 0 312.416 0.580 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CC(=O)N(C4CC4)C3)no2)c1 ZINC000279711851 215082137 /nfs/dbraw/zinc/08/21/37/215082137.db2.gz YBOWMZOZNQOJIX-UHFFFAOYSA-N 0 0 315.333 0.632 10 0 DCAERN CCc1nnc2n1CCN(C(=O)[C@H]1CSCN1C(C)=O)C2 ZINC000069952189 190843154 /nfs/dbraw/zinc/84/31/54/190843154.db2.gz JVKNVESKEVVETK-SNVBAGLBSA-N 0 0 309.395 0.104 10 0 DCAERN Cn1c([C@H]2NC(=O)[C@@H]3CCCCN32)nc2c1c(=O)[nH]c(=O)n2C ZINC000329575559 282587037 /nfs/dbraw/zinc/58/70/37/282587037.db2.gz BCAYCVSTSUPMHB-CPCISQLKSA-N 0 0 318.337 0.196 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCC(=O)NCC2CC2)cn1 ZINC000182021660 199375196 /nfs/dbraw/zinc/37/51/96/199375196.db2.gz RBONYMKFRZVEFK-ZDUSSCGKSA-N 0 0 305.382 0.793 10 0 DCAERN CCCn1nccc1NC(=O)NCCN1CCCS1(=O)=O ZINC000143692736 186033934 /nfs/dbraw/zinc/03/39/34/186033934.db2.gz IHGYHJZUWPIISO-UHFFFAOYSA-N 0 0 315.399 0.450 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000171487030 186167420 /nfs/dbraw/zinc/16/74/20/186167420.db2.gz FPUKWJIHMAVRLZ-NXEZZACHSA-N 0 0 309.391 0.603 10 0 DCAERN Cc1nc(CNC(=O)NC[C@H](O)COc2ccc(F)cc2)no1 ZINC000175696941 186189498 /nfs/dbraw/zinc/18/94/98/186189498.db2.gz VUEBMPNDJFMCAQ-NSHDSACASA-N 0 0 324.312 0.756 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 ZINC000177910709 186202855 /nfs/dbraw/zinc/20/28/55/186202855.db2.gz JVUZYGLBWMGANL-CQSZACIVSA-N 0 0 319.405 0.849 10 0 DCAERN CS(=O)(=O)NCCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394910 186303939 /nfs/dbraw/zinc/30/39/39/186303939.db2.gz MNBUYJAAKXPWJJ-QWHCGFSZSA-N 0 0 302.371 0.483 10 0 DCAERN O=C([C@H]1CN(c2cccc(Cl)c2)CCO1)N1CCNC(=O)C1 ZINC000072352801 191129364 /nfs/dbraw/zinc/12/93/64/191129364.db2.gz UFNHMAFWSVTTBC-CYBMUJFWSA-N 0 0 323.780 0.504 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCO[C@@H](CNC(C)=O)C1 ZINC000172185791 198054621 /nfs/dbraw/zinc/05/46/21/198054621.db2.gz AGDZMOIJGIFSIR-AWEZNQCLSA-N 0 0 324.352 0.949 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCS1(=O)=O ZINC000172375178 198088074 /nfs/dbraw/zinc/08/80/74/198088074.db2.gz RTFJXIBIVRNRNP-GXTWGEPZSA-N 0 0 310.419 0.935 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)N2CCc3cccc(C)c32)n1 ZINC000172337948 198082067 /nfs/dbraw/zinc/08/20/67/198082067.db2.gz LFLHBACPICJHKM-UHFFFAOYSA-N 0 0 314.345 0.934 10 0 DCAERN Cc1csc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000172342797 198082766 /nfs/dbraw/zinc/08/27/66/198082766.db2.gz PHSATWIQRMXBSI-SECBINFHSA-N 0 0 303.409 0.780 10 0 DCAERN CCNS(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000172458867 198099948 /nfs/dbraw/zinc/09/99/48/198099948.db2.gz DYQQRGZEUHKLIL-UHFFFAOYSA-N 0 0 318.468 0.814 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)CNC(=O)c1ccccn1 ZINC000172497175 198106001 /nfs/dbraw/zinc/10/60/01/198106001.db2.gz YZWDZUZZASLTLQ-UHFFFAOYSA-N 0 0 306.366 0.138 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4ccncc4)c3=O)n2n1 ZINC000072465789 191174051 /nfs/dbraw/zinc/17/40/51/191174051.db2.gz XGIQYQHRQZOVTE-UHFFFAOYSA-N 0 0 308.301 0.970 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)CCO1 ZINC000172884186 198162486 /nfs/dbraw/zinc/16/24/86/198162486.db2.gz HARPZXKKHUGYHC-JTQLQIEISA-N 0 0 318.358 0.531 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000072710594 191218790 /nfs/dbraw/zinc/21/87/90/191218790.db2.gz HYQGANTXXVPZPP-SNVBAGLBSA-N 0 0 310.383 0.509 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)O)ncn1 ZINC000173427641 198213436 /nfs/dbraw/zinc/21/34/36/198213436.db2.gz DGTNMYYMFACQEP-NSHDSACASA-N 0 0 322.413 0.557 10 0 DCAERN Cc1sc2[nH]c(SCC(=O)NC(N)=O)nc(=O)c2c1C ZINC000002614009 180939282 /nfs/dbraw/zinc/93/92/82/180939282.db2.gz ILHIAHQFGBHPJX-UHFFFAOYSA-N 0 0 312.376 0.888 10 0 DCAERN CCOC(=O)C1(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000174521549 198345675 /nfs/dbraw/zinc/34/56/75/198345675.db2.gz QHGIXDPTDBAHKA-UHFFFAOYSA-N 0 0 304.346 0.876 10 0 DCAERN CC[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1C[C@@H](C)O ZINC000174625246 198361258 /nfs/dbraw/zinc/36/12/58/198361258.db2.gz LKVSMXSJMLLADC-DGCLKSJQSA-N 0 0 324.425 0.654 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000174649627 198364940 /nfs/dbraw/zinc/36/49/40/198364940.db2.gz KDOSOGFKSCPVIY-ZDUSSCGKSA-N 0 0 305.382 0.210 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)[C@@H]3CSC(=O)N3)CC2)cn1 ZINC000174654297 198365856 /nfs/dbraw/zinc/36/58/56/198365856.db2.gz WQGLWLHEHJIFCR-LBPRGKRZSA-N 0 0 323.422 0.279 10 0 DCAERN O=C([C@@H](O)c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000174792597 198386484 /nfs/dbraw/zinc/38/64/84/198386484.db2.gz IFMHEUKTKIQUGS-CABCVRRESA-N 0 0 301.346 0.844 10 0 DCAERN COC(=O)Cn1cc(CCn2c(C)nn(C(C)(C)C)c2=O)nn1 ZINC000182145415 199393997 /nfs/dbraw/zinc/39/39/97/199393997.db2.gz SSNFPVPJFCOCGJ-UHFFFAOYSA-N 0 0 322.369 0.115 10 0 DCAERN Cc1nc(CNC(=O)NCCNC(=O)c2ccccc2)no1 ZINC000174869545 198395438 /nfs/dbraw/zinc/39/54/38/198395438.db2.gz ZMPYVXAHIDLWCA-UHFFFAOYSA-N 0 0 303.322 0.607 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NCc1ccc(Cl)cn1 ZINC000182159983 199395168 /nfs/dbraw/zinc/39/51/68/199395168.db2.gz CLMWBSYDMNJBOT-UHFFFAOYSA-N 0 0 317.798 0.777 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc2nnn(C)c2c1 ZINC000182358778 199426125 /nfs/dbraw/zinc/42/61/25/199426125.db2.gz ZANSRINPTMTODS-UHFFFAOYSA-N 0 0 303.366 0.955 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CCNC(=O)Cc1ccccc1 ZINC000182822776 199496619 /nfs/dbraw/zinc/49/66/19/199496619.db2.gz ZSRDLQCAOPVNTH-KRWDZBQOSA-N 0 0 322.405 0.639 10 0 DCAERN NS(=O)(=O)c1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000004963923 181180325 /nfs/dbraw/zinc/18/03/25/181180325.db2.gz MGZJAXYRCXYPPD-UHFFFAOYSA-N 0 0 304.335 0.612 10 0 DCAERN CCc1ccc(S(=O)(=O)NCCN2CCOCC2)s1 ZINC000074921861 191388092 /nfs/dbraw/zinc/38/80/92/191388092.db2.gz PVXRPJSQQPAJCW-UHFFFAOYSA-N 0 0 304.437 0.921 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000074883703 191378221 /nfs/dbraw/zinc/37/82/21/191378221.db2.gz NQJCITCZQCJURZ-CYBMUJFWSA-N 0 0 301.346 0.723 10 0 DCAERN COC(=O)Nc1nc2cc(S(=O)(=O)CCCO)ccc2[nH]1 ZINC000005115560 181205179 /nfs/dbraw/zinc/20/51/79/181205179.db2.gz OZBZMHKHSDPUGF-UHFFFAOYSA-N 0 0 313.335 0.319 10 0 in-vitro DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1noc2c1CCCC2 ZINC000285083022 295910936 /nfs/dbraw/zinc/91/09/36/295910936.db2.gz LHVAWPIUHUJLSL-WDEREUQCSA-N 0 0 303.322 0.515 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000177791688 198777781 /nfs/dbraw/zinc/77/77/81/198777781.db2.gz BSUTWXSXHFYNOQ-QWRGUYRKSA-N 0 0 317.349 0.339 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000179371827 199023218 /nfs/dbraw/zinc/02/32/18/199023218.db2.gz NTTNFQPDIIIYHT-LLVKDONJSA-N 0 0 315.333 0.801 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@H](C)[C@H]2C)cn1 ZINC000179450271 199037751 /nfs/dbraw/zinc/03/77/51/199037751.db2.gz RWIMDNSDCAQEKI-NXEZZACHSA-N 0 0 311.411 0.987 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000179766594 199077995 /nfs/dbraw/zinc/07/79/95/199077995.db2.gz RYHGZAAJVBASOE-VXGBXAGGSA-N 0 0 321.377 0.300 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccncc2)C1 ZINC000245559354 283318899 /nfs/dbraw/zinc/31/88/99/283318899.db2.gz BOLMODVAUCZNKE-HUUCEWRRSA-N 0 0 316.405 0.942 10 0 DCAERN CCn1c(C)nnc1COc1cccc(C(=O)NCCO)c1 ZINC000180385790 199153171 /nfs/dbraw/zinc/15/31/71/199153171.db2.gz ODZSAFIKFWWQAQ-UHFFFAOYSA-N 0 0 304.350 0.908 10 0 DCAERN CCCN(CCO)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000180767189 199205956 /nfs/dbraw/zinc/20/59/56/199205956.db2.gz IUPQBGNBUXFKGV-DZGCQCFKSA-N 0 0 305.378 0.832 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180796114 199210680 /nfs/dbraw/zinc/21/06/80/199210680.db2.gz IDJLOHLYDMEIBS-QWRGUYRKSA-N 0 0 316.427 0.946 10 0 DCAERN COC1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000180863170 199219757 /nfs/dbraw/zinc/21/97/57/199219757.db2.gz LIIHNJSUUFAYHT-ZDUSSCGKSA-N 0 0 305.378 0.951 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc(Cl)cn2)O1 ZINC000180940018 199231212 /nfs/dbraw/zinc/23/12/12/199231212.db2.gz PRTKCOVYGPXNRE-GHMZBOCLSA-N 0 0 312.757 0.567 10 0 DCAERN COCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181167634 199259244 /nfs/dbraw/zinc/25/92/44/199259244.db2.gz LYEPTUZBOBOMBV-SNVBAGLBSA-N 0 0 317.411 0.430 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000126688504 236959218 /nfs/dbraw/zinc/95/92/18/236959218.db2.gz JGEVKVXEVHCPPA-ZYHUDNBSSA-N 0 0 304.412 0.484 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000153063869 237014231 /nfs/dbraw/zinc/01/42/31/237014231.db2.gz UULHMNNGAMGIBW-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000153088882 237014239 /nfs/dbraw/zinc/01/42/39/237014239.db2.gz BWYALPIERZWCIQ-UWVGGRQHSA-N 0 0 316.379 0.779 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000155776756 237043981 /nfs/dbraw/zinc/04/39/81/237043981.db2.gz MVCFWEGSHQSWLQ-QWRGUYRKSA-N 0 0 304.350 0.441 10 0 DCAERN NC(=O)c1cncc(NCc2ccnc(N3CCOCC3)c2)n1 ZINC000176773501 237204129 /nfs/dbraw/zinc/20/41/29/237204129.db2.gz PVYSZRQTNQNMDS-UHFFFAOYSA-N 0 0 314.349 0.419 10 0 DCAERN COc1cccc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC000187185555 200073261 /nfs/dbraw/zinc/07/32/61/200073261.db2.gz PVNQRYFJNHFQEK-QWHCGFSZSA-N 0 0 303.362 0.902 10 0 DCAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C)CCN1S(C)(=O)=O ZINC000181592019 237261661 /nfs/dbraw/zinc/26/16/61/237261661.db2.gz BOEHVUZRFWYLAF-JTQLQIEISA-N 0 0 313.427 0.158 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000182503241 237274179 /nfs/dbraw/zinc/27/41/79/237274179.db2.gz KHBPTHDWNSFUPL-HLTSFMKQSA-N 0 0 320.333 0.195 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCN(CCO)[C@H](C)C2)n1 ZINC000187286359 200088993 /nfs/dbraw/zinc/08/89/93/200088993.db2.gz AHNYXJRPFUSPML-CYBMUJFWSA-N 0 0 324.450 0.711 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187707820 237357781 /nfs/dbraw/zinc/35/77/81/237357781.db2.gz QGORKBZZUURHLE-HUUCEWRRSA-N 0 0 317.433 0.963 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NCC3(CCO)CC3)n2)cc1 ZINC000187933821 237360217 /nfs/dbraw/zinc/36/02/17/237360217.db2.gz VGPOMCRJHNWYAC-UHFFFAOYSA-N 0 0 315.377 0.927 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCC1(CCO)CC1 ZINC000188016557 237364850 /nfs/dbraw/zinc/36/48/50/237364850.db2.gz XKMRGDVUMLZEBY-UHFFFAOYSA-N 0 0 318.377 0.461 10 0 DCAERN O=C1CN(Cc2nc(COc3cccc(F)c3)no2)C(=O)N1 ZINC000188160974 237368827 /nfs/dbraw/zinc/36/88/27/237368827.db2.gz NBZJQQYXCWTFOY-UHFFFAOYSA-N 0 0 306.253 0.840 10 0 DCAERN COc1cc(NC(=O)C(=O)NCc2ccnn2C)ccc1F ZINC000187313223 237345896 /nfs/dbraw/zinc/34/58/96/237345896.db2.gz FSZWIGLZYXRZJA-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN Cc1ccn(C)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000188891695 237383892 /nfs/dbraw/zinc/38/38/92/237383892.db2.gz PKQWCHQXLYTSOA-UHFFFAOYSA-N 0 0 307.375 0.911 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153649862 291207799 /nfs/dbraw/zinc/20/77/99/291207799.db2.gz CIUHJSLNXLHQIN-GHMZBOCLSA-N 0 0 301.350 0.969 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000188726308 200293989 /nfs/dbraw/zinc/29/39/89/200293989.db2.gz RNPRAHGRSUUHSI-LLVKDONJSA-N 0 0 302.371 0.513 10 0 DCAERN CCc1cccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188728349 200295917 /nfs/dbraw/zinc/29/59/17/200295917.db2.gz DSENEQRTKAEFNQ-CYBMUJFWSA-N 0 0 312.435 0.936 10 0 DCAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1ccccc1 ZINC000154215573 291211604 /nfs/dbraw/zinc/21/16/04/291211604.db2.gz UHWKZONIANXNHT-JTQLQIEISA-N 0 0 314.345 0.881 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000154584679 291214679 /nfs/dbraw/zinc/21/46/79/291214679.db2.gz YVPJZNHQHNDFSO-JTQLQIEISA-N 0 0 319.365 0.111 10 0 DCAERN COCCN(C)CCNS(=O)(=O)Cc1cccc(OC)c1 ZINC000155516708 291220764 /nfs/dbraw/zinc/22/07/64/291220764.db2.gz LRNVYVXPWYMDRS-UHFFFAOYSA-N 0 0 316.423 0.693 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000155749760 291222048 /nfs/dbraw/zinc/22/20/48/291222048.db2.gz GAZQCLXBVHSHQY-JTQLQIEISA-N 0 0 310.741 0.230 10 0 DCAERN Cn1ncc2c1nnn(Cc1nc3cc(F)ccc3o1)c2=O ZINC000156344730 291224343 /nfs/dbraw/zinc/22/43/43/291224343.db2.gz WDZCSLSVOBWSIT-UHFFFAOYSA-N 0 0 300.253 0.854 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000163052547 291245725 /nfs/dbraw/zinc/24/57/25/291245725.db2.gz KNRAGZIHNDFWOD-VXGBXAGGSA-N 0 0 308.382 0.851 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCC[C@@H]2O)C[C@H](C)O1 ZINC000167818759 291249456 /nfs/dbraw/zinc/24/94/56/291249456.db2.gz OWKUTEMUOMPOBV-RNJOBUHISA-N 0 0 306.428 0.433 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCS1 ZINC000269777608 291250477 /nfs/dbraw/zinc/25/04/77/291250477.db2.gz NOUQYVMHPKRNBF-QWRGUYRKSA-N 0 0 317.436 0.971 10 0 DCAERN COC(=O)C1(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CCCC1 ZINC000408243614 283729574 /nfs/dbraw/zinc/72/95/74/283729574.db2.gz ISXIILBSFJNPAF-YNEHKIRRSA-N 0 0 311.378 0.982 10 0 DCAERN C[C@H](N[C@@H](C)c1ccccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181783282 299345987 /nfs/dbraw/zinc/34/59/87/299345987.db2.gz RVKHNYIDAIQMSH-RYUDHWBXSA-N 0 0 304.394 0.858 10 0 DCAERN Cn1cnc2cc(S(=O)(=O)N3C[C@@H](F)C[C@@H]3CO)ccc21 ZINC000444280108 240564267 /nfs/dbraw/zinc/56/42/67/240564267.db2.gz RYYITJRAZGXCFE-VHSXEESVSA-N 0 0 313.354 0.667 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H](C)CSC)CC12COC2 ZINC000454552942 240793048 /nfs/dbraw/zinc/79/30/48/240793048.db2.gz ZNJDFPRKEDRUSW-MNOVXSKESA-N 0 0 316.423 0.959 10 0 DCAERN COc1ccc(C[C@@H](C)C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091783628 193107373 /nfs/dbraw/zinc/10/73/73/193107373.db2.gz HFKJLKOGBDXZGK-RISCZKNCSA-N 0 0 306.362 0.587 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(OC(F)F)c1 ZINC000091784084 193107969 /nfs/dbraw/zinc/10/79/69/193107969.db2.gz CGTDQNZHQBNRRI-JTQLQIEISA-N 0 0 300.261 0.614 10 0 DCAERN O=C(NCc1cccc(Cl)c1)NC[C@H](O)Cn1ccnn1 ZINC000457406041 241002363 /nfs/dbraw/zinc/00/23/63/241002363.db2.gz UAOWNQZFXICKEH-LBPRGKRZSA-N 0 0 309.757 0.792 10 0 DCAERN O=C(NCCCc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000457417331 241003216 /nfs/dbraw/zinc/00/32/16/241003216.db2.gz OSXVDOACGDRQMX-CQSZACIVSA-N 0 0 303.366 0.571 10 0 DCAERN Cc1ccccc1C[C@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457882698 241046866 /nfs/dbraw/zinc/04/68/66/241046866.db2.gz NCKIXZBWPJKCSZ-ZFWWWQNUSA-N 0 0 317.393 0.878 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)N1CCC[C@H]1C ZINC000494586494 241204141 /nfs/dbraw/zinc/20/41/41/241204141.db2.gz MMCBKJFZKFESSH-NEPJUHHUSA-N 0 0 303.428 0.658 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000408335389 291380885 /nfs/dbraw/zinc/38/08/85/291380885.db2.gz HDRAKBOGOMQQDV-XQHKEYJVSA-N 0 0 318.439 0.682 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000092230887 193177586 /nfs/dbraw/zinc/17/75/86/193177586.db2.gz PWQRYHWGBGCFDY-NSHDSACASA-N 0 0 322.752 0.034 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092230994 193177598 /nfs/dbraw/zinc/17/75/98/193177598.db2.gz APJMKFJXFBWONJ-NSHDSACASA-N 0 0 324.287 0.701 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@H]1C ZINC000248869494 284037580 /nfs/dbraw/zinc/03/75/80/284037580.db2.gz CRDYETOUSKJVMQ-GRYCIOLGSA-N 0 0 321.381 0.434 10 0 DCAERN COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC ZINC000238383928 261165815 /nfs/dbraw/zinc/16/58/15/261165815.db2.gz ZNCLEXNPKBERLW-RKDXNWHRSA-N 0 0 304.343 0.204 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530788 193264941 /nfs/dbraw/zinc/26/49/41/193264941.db2.gz NLXSWTYMYWJVMY-SECBINFHSA-N 0 0 320.846 0.759 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000094072780 193343024 /nfs/dbraw/zinc/34/30/24/193343024.db2.gz PHYZGKRIGOTMIA-QWRGUYRKSA-N 0 0 306.428 0.636 10 0 DCAERN C[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000094789852 193398614 /nfs/dbraw/zinc/39/86/14/193398614.db2.gz AYPCVKGUYMKAIB-NSHDSACASA-N 0 0 304.393 0.581 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCCN(C(N)=O)CC2)nn1 ZINC000151521160 196692305 /nfs/dbraw/zinc/69/23/05/196692305.db2.gz NHGOPNXRJQAJNM-UHFFFAOYSA-N 0 0 308.386 0.551 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282608543 217123724 /nfs/dbraw/zinc/12/37/24/217123724.db2.gz DVXFCAACOHCZBR-HOTGVXAUSA-N 0 0 320.393 0.410 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000282709554 217193027 /nfs/dbraw/zinc/19/30/27/217193027.db2.gz YLLVWEVCNMTDNC-NKWVEPMBSA-N 0 0 306.775 0.019 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](C(=O)NCC3CC3)C2)nn1 ZINC000266005238 205019312 /nfs/dbraw/zinc/01/93/12/205019312.db2.gz LUIGQXAGWYPXGH-GFCCVEGCSA-N 0 0 317.393 0.579 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282888882 217304116 /nfs/dbraw/zinc/30/41/16/217304116.db2.gz ZCOJXEYRQDMBAX-JTQLQIEISA-N 0 0 304.350 0.788 10 0 DCAERN CCN(CC(N)=O)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249098022 284459264 /nfs/dbraw/zinc/45/92/64/284459264.db2.gz OZPMTVDFINCJEK-HZMBPMFUSA-N 0 0 316.423 0.519 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CCOC1 ZINC000408256054 291630766 /nfs/dbraw/zinc/63/07/66/291630766.db2.gz LILUMAYXOMCZHD-LOWDOPEQSA-N 0 0 317.407 0.626 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)Cc2cc(C)on2)CC1 ZINC000035220880 182763131 /nfs/dbraw/zinc/76/31/31/182763131.db2.gz RFAALPHYSISVPM-UHFFFAOYSA-N 0 0 302.352 0.698 10 0 DCAERN O=C(c1cccc2c1OCO2)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364178655 296256937 /nfs/dbraw/zinc/25/69/37/296256937.db2.gz GJZAJBYODBNGBQ-OAHLLOKOSA-N 0 0 317.301 0.230 10 0 DCAERN OCCOCCOCCOC[C@H](O)COCc1ccccc1 ZINC000039267887 183015921 /nfs/dbraw/zinc/01/59/21/183015921.db2.gz OZOWNSQDUGHOIG-INIZCTEOSA-N 0 0 314.378 0.606 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000040317035 183054140 /nfs/dbraw/zinc/05/41/40/183054140.db2.gz HJEKNDWPEVYTMF-GFCCVEGCSA-N 0 0 309.391 0.701 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(c2ccccc2)CCC1 ZINC000042849086 183314072 /nfs/dbraw/zinc/31/40/72/183314072.db2.gz UCOKBLBQKUCLFJ-LBPRGKRZSA-N 0 0 301.346 0.823 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)NCCO)cn2)C[C@H](C)O1 ZINC000042874055 183316016 /nfs/dbraw/zinc/31/60/16/183316016.db2.gz VOSSJGBTIPSVSM-TXEJJXNPSA-N 0 0 308.382 0.487 10 0 DCAERN COc1ccccc1CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104776951 194038282 /nfs/dbraw/zinc/03/82/82/194038282.db2.gz QEOLJNBUPGMFBD-AWEZNQCLSA-N 0 0 307.394 0.868 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000104880367 194049670 /nfs/dbraw/zinc/04/96/70/194049670.db2.gz AHYMEJHDXPOLFI-UHFFFAOYSA-N 0 0 305.382 0.432 10 0 DCAERN CNC(=O)COc1ccc(NC(=O)NCc2ccnn2C)cc1 ZINC000105058085 194067877 /nfs/dbraw/zinc/06/78/77/194067877.db2.gz BXZBZTQTNRMXHC-UHFFFAOYSA-N 0 0 317.349 0.867 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105215151 194084638 /nfs/dbraw/zinc/08/46/38/194084638.db2.gz SOGUVEXYIGPEQE-TZMCWYRMSA-N 0 0 309.414 0.457 10 0 DCAERN CCOc1ccnc(N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000105868350 194152135 /nfs/dbraw/zinc/15/21/35/194152135.db2.gz DMNHGXYHQOPLBB-UHFFFAOYSA-N 0 0 321.425 0.912 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN([C@@H]3CCOC3=O)CC2)n1 ZINC000105882325 194155469 /nfs/dbraw/zinc/15/54/69/194155469.db2.gz JORJQAXMBXEVGU-GFCCVEGCSA-N 0 0 316.365 0.109 10 0 DCAERN CCCCCNC(=O)CN1CCN(c2nccc(OC)n2)CC1 ZINC000105908892 194167026 /nfs/dbraw/zinc/16/70/26/194167026.db2.gz UOCMAZFKKFSRKH-UHFFFAOYSA-N 0 0 321.425 0.914 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC000106397458 194205426 /nfs/dbraw/zinc/20/54/26/194205426.db2.gz DXGKCKNTPVLYKS-ZDUSSCGKSA-N 0 0 310.398 0.616 10 0 DCAERN O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2nncn2c1 ZINC000109876049 194295175 /nfs/dbraw/zinc/29/51/75/194295175.db2.gz PGJWZNFQUVJZNI-UHFFFAOYSA-N 0 0 320.316 0.839 10 0 DCAERN COC[C@@H](C)C(=O)NCC(C)(C)CNC(=O)[C@@H](C)COC ZINC000110868193 194364981 /nfs/dbraw/zinc/36/49/81/194364981.db2.gz NIBKSIAZMMTNHV-TXEJJXNPSA-N 0 0 302.415 0.810 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111076190 194389473 /nfs/dbraw/zinc/38/94/73/194389473.db2.gz AHVCZKOUOHOEEM-CQSZACIVSA-N 0 0 314.345 0.523 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329618926 296317413 /nfs/dbraw/zinc/31/74/13/296317413.db2.gz GISFULMQCUYNBF-KGLIPLIRSA-N 0 0 317.455 0.512 10 0 DCAERN NS(=O)(=O)c1ccc(CCn2c(=O)[nH][nH]c2=S)cc1 ZINC000061591398 184175768 /nfs/dbraw/zinc/17/57/68/184175768.db2.gz RWPJFVAOSXYFRW-UHFFFAOYSA-N 0 0 300.365 0.124 10 0 DCAERN C[C@@H](CNCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1 ZINC000062097245 184205910 /nfs/dbraw/zinc/20/59/10/184205910.db2.gz PJSRJKYMWSBZIA-VIFPVBQESA-N 0 0 303.350 0.104 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@H]1C(N)=S ZINC000061886569 184192099 /nfs/dbraw/zinc/19/20/99/184192099.db2.gz PQKVZGZFOLSSIH-RKDXNWHRSA-N 0 0 308.425 0.314 10 0 DCAERN NC(=O)CN1CC=C(CNC(=O)CCc2ccccc2)CC1 ZINC000065408642 184339375 /nfs/dbraw/zinc/33/93/75/184339375.db2.gz HYPXGWOYMXPCFV-UHFFFAOYSA-N 0 0 301.390 0.853 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000067332931 184461005 /nfs/dbraw/zinc/46/10/05/184461005.db2.gz SWOVOAGGWYEUJU-QWHCGFSZSA-N 0 0 303.362 0.081 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)s1 ZINC000067571772 184472931 /nfs/dbraw/zinc/47/29/31/184472931.db2.gz LZJIKXSDAFTLEA-NSHDSACASA-N 0 0 309.391 0.864 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000112890159 194531888 /nfs/dbraw/zinc/53/18/88/194531888.db2.gz RRJOHONRBSULBI-AAEUAGOBSA-N 0 0 318.377 0.934 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)COC[C@H]2CCOC2)CC1 ZINC000117752766 194845782 /nfs/dbraw/zinc/84/57/82/194845782.db2.gz MJSBRUUVUWXGGS-ZDUSSCGKSA-N 0 0 312.410 0.756 10 0 DCAERN COc1ccc(CCNC(=O)N2CCNC(=O)CC2)cc1F ZINC000171686447 252593813 /nfs/dbraw/zinc/59/38/13/252593813.db2.gz DZLKNMIONFGPOE-UHFFFAOYSA-N 0 0 309.341 0.908 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000175556087 252601666 /nfs/dbraw/zinc/60/16/66/252601666.db2.gz JRHIEFOEFPQRID-MWLCHTKSSA-N 0 0 314.345 0.697 10 0 DCAERN Cc1nn(C)c(=O)c(-c2nc(CC(=O)N3CCCC3)no2)c1C ZINC000333167046 252689729 /nfs/dbraw/zinc/68/97/29/252689729.db2.gz JMEZSBBTYOLXIV-UHFFFAOYSA-N 0 0 317.349 0.612 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333182781 252690826 /nfs/dbraw/zinc/69/08/26/252690826.db2.gz QCLIKYXYHLZCSA-VOAKCMCISA-N 0 0 315.439 0.898 10 0 DCAERN C[C@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333425566 252721729 /nfs/dbraw/zinc/72/17/29/252721729.db2.gz MSCJUGKTIZWVSY-CLPYTZEMSA-N 0 0 316.423 0.483 10 0 DCAERN C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000336898931 252814979 /nfs/dbraw/zinc/81/49/79/252814979.db2.gz QROFIJOASZKJKD-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCN(CCO)CC1 ZINC000333138543 285045675 /nfs/dbraw/zinc/04/56/75/285045675.db2.gz IXAFQXSRKVSIIJ-HZSPNIEDSA-N 0 0 302.440 0.505 10 0 DCAERN CC(=O)c1csc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000339214784 253041515 /nfs/dbraw/zinc/04/15/15/253041515.db2.gz KWYBNLFGOHKLRY-GFCCVEGCSA-N 0 0 312.391 0.374 10 0 DCAERN COC(=O)CCCNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000340178797 253211387 /nfs/dbraw/zinc/21/13/87/253211387.db2.gz WGEFCGJEXYILGG-UHFFFAOYSA-N 0 0 300.336 0.017 10 0 DCAERN O=C1NC[C@@H]2CN(C[C@@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459656 296379654 /nfs/dbraw/zinc/37/96/54/296379654.db2.gz YMUKOTIDTAYKPO-WDEREUQCSA-N 0 0 301.337 0.455 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000286533207 219039495 /nfs/dbraw/zinc/03/94/95/219039495.db2.gz VYWPCACQUIPPHK-QWHCGFSZSA-N 0 0 305.382 0.372 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000349968646 254306353 /nfs/dbraw/zinc/30/63/53/254306353.db2.gz HSUFHMWUAYHDMV-ZETCQYMHSA-N 0 0 307.290 0.172 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000349978798 254307133 /nfs/dbraw/zinc/30/71/33/254307133.db2.gz UTCSFLCTEVWREI-LURJTMIESA-N 0 0 321.708 0.665 10 0 DCAERN C[C@H](CNC(=O)[C@H]1C[C@@]12CCOc1ccccc12)S(N)(=O)=O ZINC000350621378 254320290 /nfs/dbraw/zinc/32/02/90/254320290.db2.gz QZFZUYIWOHXMNI-IXPVHAAZSA-N 0 0 324.402 0.520 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000352028353 254391519 /nfs/dbraw/zinc/39/15/19/254391519.db2.gz PUPPFDHDAJCGER-GHMZBOCLSA-N 0 0 318.395 0.158 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000352080704 254396130 /nfs/dbraw/zinc/39/61/30/254396130.db2.gz AZFNFXOTTHJWPK-SSDOTTSWSA-N 0 0 315.171 0.895 10 0 DCAERN CCc1cccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000152206386 196788441 /nfs/dbraw/zinc/78/84/41/196788441.db2.gz NVGUPOPULJHCOE-AWEZNQCLSA-N 0 0 310.419 0.942 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1cnc2nc(C)cc(C)n12 ZINC000188615947 291942016 /nfs/dbraw/zinc/94/20/16/291942016.db2.gz LNFHZGIKBXAPDX-QWHCGFSZSA-N 0 0 304.350 0.454 10 0 DCAERN Cc1noc([C@]23CCO[C@H]2CCN(S(=O)(=O)C2CC2)C3)n1 ZINC000248017503 257112191 /nfs/dbraw/zinc/11/21/91/257112191.db2.gz IAJSZDYQGKHREF-AAEUAGOBSA-N 0 0 313.379 0.603 10 0 DCAERN CN(C)C(=O)COC[C@H]1CCOC12CN(Cc1ccccn1)C2 ZINC000248009289 257112387 /nfs/dbraw/zinc/11/23/87/257112387.db2.gz OZKYSDHMZNRRRS-CQSZACIVSA-N 0 0 319.405 0.777 10 0 DCAERN COCCNC(=O)[C@]12CCO[C@H]1CCN(c1ncccn1)C2 ZINC000247886282 257115323 /nfs/dbraw/zinc/11/53/23/257115323.db2.gz RUCZTGFFCISWSA-WFASDCNBSA-N 0 0 306.366 0.225 10 0 DCAERN COCCNC(=O)C[C@@]12COC[C@@H]1CN(c1ncccn1)C2 ZINC000247829381 257117602 /nfs/dbraw/zinc/11/76/02/257117602.db2.gz HCBPTRUHZGIVFX-SWLSCSKDSA-N 0 0 306.366 0.082 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@]2(C[C@H](Oc3ncccn3)CO2)C1 ZINC000247751901 257117920 /nfs/dbraw/zinc/11/79/20/257117920.db2.gz AZDLOXVDFFXBPC-XEZPLFJOSA-N 0 0 319.361 0.794 10 0 DCAERN COCC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC000247812741 257117932 /nfs/dbraw/zinc/11/79/32/257117932.db2.gz DLGWNIWSCAMKLE-ZIAGYGMSSA-N 0 0 303.362 0.820 10 0 DCAERN O=C(NC1CC1)[C@@H]1COC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000247749002 257118238 /nfs/dbraw/zinc/11/82/38/257118238.db2.gz SOVLGOZSCYAFDF-TVYUQYBPSA-N 0 0 306.341 0.593 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000247761560 257118314 /nfs/dbraw/zinc/11/83/14/257118314.db2.gz HVSMWNULIUYOMC-BBRMVZONSA-N 0 0 316.361 0.611 10 0 DCAERN CSCC[C@H](CO)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000334160856 257262340 /nfs/dbraw/zinc/26/23/40/257262340.db2.gz NQHLQWGSCXHUPI-SNVBAGLBSA-N 0 0 321.402 0.777 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000188776218 291960701 /nfs/dbraw/zinc/96/07/01/291960701.db2.gz SXHQTBJXYYQICR-ZIAGYGMSSA-N 0 0 318.377 0.844 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000152557574 533295433 /nfs/dbraw/zinc/29/54/33/533295433.db2.gz ZEXOHNUBNFJYII-CHWSQXEVSA-N 0 0 316.423 0.848 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)c2ccccc2F)C1 ZINC000414209636 533394691 /nfs/dbraw/zinc/39/46/91/533394691.db2.gz NJLGXCBOZYNUDI-SNVBAGLBSA-N 0 0 321.395 0.881 10 0 DCAERN O=C(CC1CCC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275715117 130368257 /nfs/dbraw/zinc/36/82/57/130368257.db2.gz OHKJLYBBGMTPID-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000277132950 130583970 /nfs/dbraw/zinc/58/39/70/130583970.db2.gz OWXSVUAOTWAAQG-OCCSQVGLSA-N 0 0 305.378 0.870 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000283778497 131021759 /nfs/dbraw/zinc/02/17/59/131021759.db2.gz KNZHVWNAPISKDY-GXSJLCMTSA-N 0 0 306.370 0.294 10 0 DCAERN Cc1ccsc1CNC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000283928966 131034055 /nfs/dbraw/zinc/03/40/55/131034055.db2.gz XKJUTRNDYZGOMH-OAHLLOKOSA-N 0 0 324.402 0.691 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC[C@H]3OCCN(C)[C@@H]3C2)[nH]1 ZINC000284222393 131060367 /nfs/dbraw/zinc/06/03/67/131060367.db2.gz CVWVIQGHTDHEII-HUUCEWRRSA-N 0 0 306.410 0.621 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230578 131061529 /nfs/dbraw/zinc/06/15/29/131061529.db2.gz VSMQUKGWIDYXHH-ZIAGYGMSSA-N 0 0 318.377 0.722 10 0 DCAERN NC(=O)[C@H]1CCCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284235902 131061925 /nfs/dbraw/zinc/06/19/25/131061925.db2.gz KIMDPHRCYDMUKC-GFCCVEGCSA-N 0 0 304.350 0.745 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2ncc[nH]2)CC(C)(C)O1 ZINC000284477233 131083952 /nfs/dbraw/zinc/08/39/52/131083952.db2.gz GGRKOEDHPPQEDF-GFCCVEGCSA-N 0 0 310.398 0.494 10 0 DCAERN COC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC(C)(C)O1 ZINC000284493453 131085888 /nfs/dbraw/zinc/08/58/88/131085888.db2.gz HQFCDEGSHYKPNZ-LBPRGKRZSA-N 0 0 310.398 0.793 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc(F)cc2)[C@@H]1C(N)=O ZINC000284811697 131113240 /nfs/dbraw/zinc/11/32/40/131113240.db2.gz TXYKXPBDRWDERU-KCJUWKMLSA-N 0 0 302.327 0.089 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000284825030 131114604 /nfs/dbraw/zinc/11/46/04/131114604.db2.gz CEOGQYVXSNEFIL-MMPTUQATSA-N 0 0 324.327 0.907 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C[C@H]1C(N)=O ZINC000284873611 131117823 /nfs/dbraw/zinc/11/78/23/131117823.db2.gz QCUATDNHLAGLQR-JFUSQASVSA-N 0 0 319.336 0.831 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000284895835 131120717 /nfs/dbraw/zinc/12/07/17/131120717.db2.gz UBQGDKZBNHCHFU-BFHYXJOUSA-N 0 0 304.394 0.804 10 0 DCAERN O=C(COCC(F)(F)F)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000285109894 131138422 /nfs/dbraw/zinc/13/84/22/131138422.db2.gz ZQOCXPOOUKDEBT-NSHDSACASA-N 0 0 322.287 0.211 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494497 131174411 /nfs/dbraw/zinc/17/44/11/131174411.db2.gz RJXSDUFKNZBJHM-NEPJUHHUSA-N 0 0 310.423 0.800 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000285508469 131175375 /nfs/dbraw/zinc/17/53/75/131175375.db2.gz MQJXWMYYLXITLN-LRDDRELGSA-N 0 0 303.362 0.340 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)cn1 ZINC000164259484 132132680 /nfs/dbraw/zinc/13/26/80/132132680.db2.gz PNMZTBWRMWWHEH-SECBINFHSA-N 0 0 300.322 0.583 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000119700400 132135429 /nfs/dbraw/zinc/13/54/29/132135429.db2.gz NGILYIKBXMUUEM-JTQLQIEISA-N 0 0 314.407 0.987 10 0 DCAERN C[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)N1CCCCC1 ZINC000120067673 132139861 /nfs/dbraw/zinc/13/98/61/132139861.db2.gz KDQVXLYMAHRPFF-LBPRGKRZSA-N 0 0 318.377 0.329 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCC(=O)NC1CCCC1 ZINC000120392738 132141998 /nfs/dbraw/zinc/14/19/98/132141998.db2.gz FDCWMVDAZILYFK-NWDGAFQWSA-N 0 0 309.410 0.938 10 0 DCAERN Nc1cccc2c1CCN(c1ccc(S(N)(=O)=O)cn1)C2 ZINC000038032954 134705173 /nfs/dbraw/zinc/70/51/73/134705173.db2.gz CPSINPVLHJIZSM-UHFFFAOYSA-N 0 0 304.375 0.874 10 0 DCAERN CCCCOCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000010123870 395685879 /nfs/dbraw/zinc/68/58/79/395685879.db2.gz GFJILJGNXPUGRI-UHFFFAOYSA-N 0 0 321.381 0.453 10 0 DCAERN C[C@@H](NC(=O)Nc1ccn(C)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000010584717 395686152 /nfs/dbraw/zinc/68/61/52/395686152.db2.gz YRXUMKYZELEVLV-SECBINFHSA-N 0 0 323.378 0.950 10 0 DCAERN C[C@@H](C(=O)N1CCSc2ccccc21)N1CCNC(=O)C1 ZINC000026196565 395694057 /nfs/dbraw/zinc/69/40/57/395694057.db2.gz KDLGINVEZJIOAT-NSHDSACASA-N 0 0 305.403 0.946 10 0 DCAERN Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684790 395701680 /nfs/dbraw/zinc/70/16/80/395701680.db2.gz JVLNMAMFVPNCOD-PWSUYJOCSA-N 0 0 312.391 0.940 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CSCN1C(C)=O ZINC000088197157 395706764 /nfs/dbraw/zinc/70/67/64/395706764.db2.gz CONHFSKQFJOZER-WDEREUQCSA-N 0 0 323.422 0.713 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccccc1Br ZINC000089754164 395714496 /nfs/dbraw/zinc/71/44/96/395714496.db2.gz WJOTXXQZTRKIBF-SECBINFHSA-N 0 0 311.135 0.984 10 0 DCAERN C[C@H]1CCC[C@@H](NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000033184457 395716393 /nfs/dbraw/zinc/71/63/93/395716393.db2.gz MHZSARFOFVLYQP-GPTOWFIXSA-N 0 0 305.378 0.792 10 0 DCAERN Cc1ccc(-n2nnc3c(C(=O)N4CCCC4)ncn3c2=O)cc1 ZINC000033431903 395717167 /nfs/dbraw/zinc/71/71/67/395717167.db2.gz KTUSMLCTGLRLBD-UHFFFAOYSA-N 0 0 324.344 0.820 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000034684809 395718007 /nfs/dbraw/zinc/71/80/07/395718007.db2.gz XKVGJMDODUAROF-ZDUSSCGKSA-N 0 0 321.377 0.285 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCNC(=O)C3(C)C)cnc12 ZINC000091047194 395721077 /nfs/dbraw/zinc/72/10/77/395721077.db2.gz YQXXESBGOBFNNJ-UHFFFAOYSA-N 0 0 314.345 0.354 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000028010977 395695722 /nfs/dbraw/zinc/69/57/22/395695722.db2.gz DQLANGSKYMBNTC-MNOVXSKESA-N 0 0 301.350 0.969 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)NCCC2CCCC2)CC1 ZINC000029343830 395697592 /nfs/dbraw/zinc/69/75/92/395697592.db2.gz LQARCLVOYSZTQH-UHFFFAOYSA-N 0 0 303.428 0.598 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037732136 395728630 /nfs/dbraw/zinc/72/86/30/395728630.db2.gz NROGWSRYGPWUTD-DTWKUNHWSA-N 0 0 317.367 0.168 10 0 DCAERN CCOCCCn1cc(I)c(=O)[nH]c1=O ZINC000094206934 395739930 /nfs/dbraw/zinc/73/99/30/395739930.db2.gz HEMMGDKSYWAALL-UHFFFAOYSA-N 0 0 324.118 0.568 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000040220856 395733456 /nfs/dbraw/zinc/73/34/56/395733456.db2.gz BHHUHWMXNKFPQB-LLVKDONJSA-N 0 0 318.443 0.534 10 0 DCAERN O=C(CCn1cccn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000042721966 395747889 /nfs/dbraw/zinc/74/78/89/395747889.db2.gz LKQVEFKHJXPMQY-AWEZNQCLSA-N 0 0 320.393 0.371 10 0 DCAERN CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCc1c[nH]cn1 ZINC000096113070 395745158 /nfs/dbraw/zinc/74/51/58/395745158.db2.gz QVYIAKWMBJYYJO-LBPRGKRZSA-N 0 0 307.398 0.057 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000194083298 395787616 /nfs/dbraw/zinc/78/76/16/395787616.db2.gz RKKYDTVPOUWNRL-OLZOCXBDSA-N 0 0 309.410 0.905 10 0 DCAERN Cc1cc(C(=O)N(C)[C@@H]2CCOC2)cc(S(N)(=O)=O)c1C ZINC000098018127 395761431 /nfs/dbraw/zinc/76/14/31/395761431.db2.gz SMRPBWUFPCZVPF-GFCCVEGCSA-N 0 0 312.391 0.812 10 0 DCAERN COCCS(=O)(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000101569498 395765232 /nfs/dbraw/zinc/76/52/32/395765232.db2.gz LRFIBAXMSGQCSW-UHFFFAOYSA-N 0 0 324.406 0.885 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000103958782 395776203 /nfs/dbraw/zinc/77/62/03/395776203.db2.gz QBMHVOBDYOABTC-CQSZACIVSA-N 0 0 317.389 0.770 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000193760656 395778695 /nfs/dbraw/zinc/77/86/95/395778695.db2.gz HCYBBDWPCHBJNN-UHFFFAOYSA-N 0 0 302.338 0.778 10 0 DCAERN CC(C)[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1 ZINC000194762304 395807939 /nfs/dbraw/zinc/80/79/39/395807939.db2.gz AZVVLEVIXMBLIB-CQSZACIVSA-N 0 0 322.409 0.864 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194864114 395810115 /nfs/dbraw/zinc/81/01/15/395810115.db2.gz WZZAWYQGXISOEC-NSHDSACASA-N 0 0 305.334 0.137 10 0 DCAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCNC(=O)CC1 ZINC000194957194 395812210 /nfs/dbraw/zinc/81/22/10/395812210.db2.gz RLFVZBXADLRRDV-SNVBAGLBSA-N 0 0 307.316 0.609 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(O)c(OC)c2)C1 ZINC000194989938 395812764 /nfs/dbraw/zinc/81/27/64/395812764.db2.gz DXOTWPPQICDUMR-LBPRGKRZSA-N 0 0 314.407 0.914 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N[C@H]3CCCCNC3=O)s2)cn1 ZINC000112169595 395815229 /nfs/dbraw/zinc/81/52/29/395815229.db2.gz IXERXWYHIRMUSJ-JTQLQIEISA-N 0 0 319.390 0.942 10 0 DCAERN CC(C)(C)NC(=O)CS(=O)(=O)c1n[nH]c(C(C)(C)C)n1 ZINC000195174657 395819556 /nfs/dbraw/zinc/81/95/56/395819556.db2.gz IIQZEMPQBJQJLP-UHFFFAOYSA-N 0 0 302.400 0.791 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@]12CCOC2 ZINC000195187334 395820006 /nfs/dbraw/zinc/82/00/06/395820006.db2.gz BXSDJQWUTITGRY-QGZVFWFLSA-N 0 0 318.373 0.743 10 0 DCAERN CC1(CNC(=O)CCn2cnc3ccccc3c2=O)COC1 ZINC000112622193 395820213 /nfs/dbraw/zinc/82/02/13/395820213.db2.gz RNPJUPSZCGJANE-UHFFFAOYSA-N 0 0 301.346 0.939 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195231552 395821928 /nfs/dbraw/zinc/82/19/28/395821928.db2.gz KUSKFTMVRYOGKG-UONOGXRCSA-N 0 0 321.352 0.838 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195292714 395823630 /nfs/dbraw/zinc/82/36/30/395823630.db2.gz QODLPLAHTOTVRQ-LLVKDONJSA-N 0 0 307.398 0.749 10 0 DCAERN CCOC(=O)NCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195405420 395826149 /nfs/dbraw/zinc/82/61/49/395826149.db2.gz RQUBCDJJDDEHGC-SNVBAGLBSA-N 0 0 309.370 0.579 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CCc2cccs2)CCS1(=O)=O ZINC000195378955 395826499 /nfs/dbraw/zinc/82/64/99/395826499.db2.gz CHXPDWXEZVZBLI-JTQLQIEISA-N 0 0 323.461 0.739 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440608 395826750 /nfs/dbraw/zinc/82/67/50/395826750.db2.gz PZEHXAJBQOHRGS-NSHDSACASA-N 0 0 311.407 0.920 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@]1(O)CCSC1 ZINC000270966244 395826727 /nfs/dbraw/zinc/82/67/27/395826727.db2.gz IHFVUWNXXVIZFX-BXUZGUMPSA-N 0 0 308.407 0.430 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000195451358 395827959 /nfs/dbraw/zinc/82/79/59/395827959.db2.gz JTLZODYWHAEOGG-UHFFFAOYSA-N 0 0 323.418 0.395 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000113298995 395829247 /nfs/dbraw/zinc/82/92/47/395829247.db2.gz LWGXNXXIOSLZOR-LLVKDONJSA-N 0 0 322.390 0.888 10 0 DCAERN CNC(=O)NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510810 395830484 /nfs/dbraw/zinc/83/04/84/395830484.db2.gz FEMMXMLMWCLMBU-NSHDSACASA-N 0 0 320.397 0.597 10 0 DCAERN Cc1noc(CCNC(=O)CCn2c(C)c(C)sc2=O)n1 ZINC000115048194 395838337 /nfs/dbraw/zinc/83/83/37/395838337.db2.gz JKDDGIGKAOEXFZ-UHFFFAOYSA-N 0 0 310.379 0.967 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116115888 395842379 /nfs/dbraw/zinc/84/23/79/395842379.db2.gz HMRPOLZIYQXUNN-UONOGXRCSA-N 0 0 304.394 0.995 10 0 DCAERN CCOC(=O)C(=O)Nc1cc(OC)nc(Br)n1 ZINC000218447565 395842833 /nfs/dbraw/zinc/84/28/33/395842833.db2.gz HVAITQYTWCVMKE-UHFFFAOYSA-N 0 0 304.100 0.749 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115276 395860560 /nfs/dbraw/zinc/86/05/60/395860560.db2.gz PSEVTEWBKNMHSE-ZDUSSCGKSA-N 0 0 305.378 0.689 10 0 DCAERN Cc1cccc(-c2noc(CN3CCO[C@@H](C(N)=O)C3)n2)c1 ZINC000051104297 395844408 /nfs/dbraw/zinc/84/44/08/395844408.db2.gz MYOFPYGAJXQXJW-GFCCVEGCSA-N 0 0 302.334 0.731 10 0 DCAERN Cc1ccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000116830691 395846513 /nfs/dbraw/zinc/84/65/13/395846513.db2.gz WNJPTFCOJOKYBY-JTQLQIEISA-N 0 0 302.421 0.749 10 0 DCAERN COCc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116833795 395847147 /nfs/dbraw/zinc/84/71/47/395847147.db2.gz RJCYZYUHNFSZNE-ZDUSSCGKSA-N 0 0 312.391 0.597 10 0 DCAERN CC(C)CCO[C@@H](C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116834897 395847628 /nfs/dbraw/zinc/84/76/28/395847628.db2.gz JUALEMACISMFDU-RYUDHWBXSA-N 0 0 306.428 0.588 10 0 DCAERN CC(=O)Nc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116891265 395848803 /nfs/dbraw/zinc/84/88/03/395848803.db2.gz DENMAZULFFQGGE-AWEZNQCLSA-N 0 0 311.407 0.769 10 0 DCAERN COCCN1CCN(C(=O)NCCc2cccnc2)C[C@@H]1C ZINC000117475030 395853066 /nfs/dbraw/zinc/85/30/66/395853066.db2.gz KEKXBDLEEXAPEY-AWEZNQCLSA-N 0 0 306.410 0.986 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000117818836 395855047 /nfs/dbraw/zinc/85/50/47/395855047.db2.gz IXNQLDGMYDWIRV-RISCZKNCSA-N 0 0 308.407 0.762 10 0 DCAERN Cc1cnn(CCNC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 ZINC000117816664 395855180 /nfs/dbraw/zinc/85/51/80/395855180.db2.gz MQPBMFAOGOXHLD-NSHDSACASA-N 0 0 317.436 0.228 10 0 DCAERN O=C(NCCCCO)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000194560574 395799631 /nfs/dbraw/zinc/79/96/31/395799631.db2.gz PVLHYSHYSLGWQR-ZDUSSCGKSA-N 0 0 306.366 0.649 10 0 DCAERN Cc1cnn(CCNC(=O)NCc2cccc(C(N)=O)c2)c1 ZINC000118059947 395858121 /nfs/dbraw/zinc/85/81/21/395858121.db2.gz DGHFDZXFZDJYLY-UHFFFAOYSA-N 0 0 301.350 0.790 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000234564043 395888789 /nfs/dbraw/zinc/88/87/89/395888789.db2.gz FIZAEADAABSZNI-QQFIATSDSA-N 0 0 305.396 0.361 10 0 DCAERN COc1cccc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000123626249 395896128 /nfs/dbraw/zinc/89/61/28/395896128.db2.gz ZQDVHCFBIGNCRB-CYBMUJFWSA-N 0 0 300.380 0.875 10 0 DCAERN CC1(C)C[C@@H](NC(=O)Cn2cnc3c2ncnc3N)C(C)(C)O1 ZINC000272535123 395898203 /nfs/dbraw/zinc/89/82/03/395898203.db2.gz UKGPFGLSBXZNPR-SECBINFHSA-N 0 0 318.381 0.871 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000126193035 395910994 /nfs/dbraw/zinc/91/09/94/395910994.db2.gz QBHNBAPNGJZZDL-UHFFFAOYSA-N 0 0 318.377 0.661 10 0 DCAERN Cc1cccc(CNC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000130422646 395922946 /nfs/dbraw/zinc/92/29/46/395922946.db2.gz BVYQPBMPOXISMU-UHFFFAOYSA-N 0 0 309.329 0.811 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2[C@H](C)COC[C@H]2C)CC1 ZINC000130909227 395924394 /nfs/dbraw/zinc/92/43/94/395924394.db2.gz OWWPKJSGDXBYCI-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN NC(=O)c1ccc(CNC(=O)Cn2c3ccccc3[nH]c2=O)cc1 ZINC000131577629 395924958 /nfs/dbraw/zinc/92/49/58/395924958.db2.gz LKAVHEJOIAPHFA-UHFFFAOYSA-N 0 0 324.340 0.745 10 0 DCAERN O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc3nnnn3n2)C1 ZINC000225513704 395861636 /nfs/dbraw/zinc/86/16/36/395861636.db2.gz JBCNVBOMLKTLKB-VXGBXAGGSA-N 0 0 300.297 0.971 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1noc(C)n1 ZINC000118645215 395862972 /nfs/dbraw/zinc/86/29/72/395862972.db2.gz BJTNTRYWITWXAN-JTQLQIEISA-N 0 0 316.383 0.198 10 0 DCAERN Cc1cnc(CCN(C)C(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000119166270 395867691 /nfs/dbraw/zinc/86/76/91/395867691.db2.gz ORXPILCBTXPGDI-LBPRGKRZSA-N 0 0 312.439 0.966 10 0 DCAERN CN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119436922 395870608 /nfs/dbraw/zinc/87/06/08/395870608.db2.gz DDSSUJAMTFZINA-AWEZNQCLSA-N 0 0 312.797 0.992 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)O)cc1 ZINC000228064168 395870649 /nfs/dbraw/zinc/87/06/49/395870649.db2.gz OCTJOYVSFZGENT-WDEREUQCSA-N 0 0 315.391 0.840 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC(CO)CO ZINC000119471772 395871621 /nfs/dbraw/zinc/87/16/21/395871621.db2.gz NZIDTADAZZULDD-SMDDNHRTSA-N 0 0 308.378 0.301 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCn3ccnc32)C[C@@H]1N1CCOCC1 ZINC000245415362 395928049 /nfs/dbraw/zinc/92/80/49/395928049.db2.gz GBANHJNCHBZVNP-ILXRZTDVSA-N 0 0 318.421 0.940 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CCC(=O)N1 ZINC000119680122 395873987 /nfs/dbraw/zinc/87/39/87/395873987.db2.gz IDFUUQOIEHDSOS-ZCFIWIBFSA-N 0 0 300.112 0.767 10 0 DCAERN CC(C)NC(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000119854852 395877494 /nfs/dbraw/zinc/87/74/94/395877494.db2.gz KJFQJDYITUJGOX-HNNXBMFYSA-N 0 0 319.405 0.885 10 0 DCAERN C[C@@H]1CN(C(=O)CCOCC(F)(F)F)CCS1(=O)=O ZINC000122056306 395885231 /nfs/dbraw/zinc/88/52/31/395885231.db2.gz ZPGLUDKJDOCESC-MRVPVSSYSA-N 0 0 303.302 0.601 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H](C)S(=O)(=O)CC2)on1 ZINC000248851133 395998327 /nfs/dbraw/zinc/99/83/27/395998327.db2.gz TWYXUEWRSVLBKU-GHMZBOCLSA-N 0 0 315.395 0.819 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000273607585 395932763 /nfs/dbraw/zinc/93/27/63/395932763.db2.gz OMJFVXKSDPFAGL-QWRGUYRKSA-N 0 0 309.366 0.355 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)CO ZINC000245779896 395936254 /nfs/dbraw/zinc/93/62/54/395936254.db2.gz ZVOZLXCUSDAENL-YNEHKIRRSA-N 0 0 320.455 0.714 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245887655 395937514 /nfs/dbraw/zinc/93/75/14/395937514.db2.gz KXQVJOVXVAKFLA-RAIGVLPGSA-N 0 0 303.362 0.811 10 0 DCAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@@H]1CCOC1 ZINC000135175380 395937864 /nfs/dbraw/zinc/93/78/64/395937864.db2.gz JYOMKAMGHHUHEU-SECBINFHSA-N 0 0 314.363 0.204 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135288953 395938617 /nfs/dbraw/zinc/93/86/17/395938617.db2.gz HLACNALNYGAXDL-GFCCVEGCSA-N 0 0 300.366 0.917 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135293011 395939038 /nfs/dbraw/zinc/93/90/38/395939038.db2.gz QIYVHGALPGPGTK-QWHCGFSZSA-N 0 0 317.393 0.430 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCO[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000135359892 395939778 /nfs/dbraw/zinc/93/97/78/395939778.db2.gz NMMRYKWMKHXQBG-SCZZXKLOSA-N 0 0 316.379 0.746 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000135574636 395941473 /nfs/dbraw/zinc/94/14/73/395941473.db2.gz DACYHCNQMOFLGI-FZMZJTMJSA-N 0 0 324.425 0.329 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000135747640 395942128 /nfs/dbraw/zinc/94/21/28/395942128.db2.gz YOSSBUYIOQQNGI-XDTLVQLUSA-N 0 0 303.355 0.956 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246266500 395945480 /nfs/dbraw/zinc/94/54/80/395945480.db2.gz ZNARTXSBABKICO-DAXOMENPSA-N 0 0 318.373 0.936 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246311496 395946773 /nfs/dbraw/zinc/94/67/73/395946773.db2.gz DDYLEHRESVLSOR-DGCLKSJQSA-N 0 0 300.380 0.899 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)ncn1 ZINC000274434500 395947809 /nfs/dbraw/zinc/94/78/09/395947809.db2.gz SNNVDJQLFVQELR-CJNGLKHVSA-N 0 0 320.393 0.433 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@H]2C1 ZINC000246351685 395948094 /nfs/dbraw/zinc/94/80/94/395948094.db2.gz DDMYJOBYMGULCX-RYUDHWBXSA-N 0 0 301.412 0.053 10 0 DCAERN C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000058119588 395951107 /nfs/dbraw/zinc/95/11/07/395951107.db2.gz HGXMZLGSEYPOHJ-UTUOFQBUSA-N 0 0 323.393 0.875 10 0 DCAERN Nc1cccc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000274497003 395952860 /nfs/dbraw/zinc/95/28/60/395952860.db2.gz RSOUNZFONRVQGY-JTQLQIEISA-N 0 0 310.297 0.957 10 0 DCAERN CC(C)c1cc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)no1 ZINC000274500020 395953917 /nfs/dbraw/zinc/95/39/17/395953917.db2.gz UZMSUJUCTVOHPI-HNNXBMFYSA-N 0 0 323.349 0.754 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246618483 395954429 /nfs/dbraw/zinc/95/44/29/395954429.db2.gz NNHKEXATCJPQDI-VXGBXAGGSA-N 0 0 310.350 0.457 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469225 396000005 /nfs/dbraw/zinc/00/00/05/396000005.db2.gz NMLJFPQURKWTIG-UONOGXRCSA-N 0 0 319.409 0.871 10 0 DCAERN CC(=O)NC[C@H]1CN(C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668204 395955619 /nfs/dbraw/zinc/95/56/19/395955619.db2.gz HPFOFWMEWJCUDE-WBVHZDCISA-N 0 0 322.405 0.572 10 0 DCAERN O=C(CN1CCS[C@@H]2COCC[C@H]21)NCc1cccnc1 ZINC000246912962 395961108 /nfs/dbraw/zinc/96/11/08/395961108.db2.gz MRWPLOGMBSHUHO-ZIAGYGMSSA-N 0 0 307.419 0.904 10 0 DCAERN CCCOC(=O)[C@H](C)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246939706 395961728 /nfs/dbraw/zinc/96/17/28/395961728.db2.gz NNHUCZVTIFHBOL-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000145254228 395963671 /nfs/dbraw/zinc/96/36/71/395963671.db2.gz JNERGRICGIUSPG-JTQLQIEISA-N 0 0 300.380 0.241 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000145509978 395964429 /nfs/dbraw/zinc/96/44/29/395964429.db2.gz NQYUUKPULZTTEH-UHFFFAOYSA-N 0 0 321.381 0.359 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000247166957 395967539 /nfs/dbraw/zinc/96/75/39/395967539.db2.gz APRCDPLFZAOILW-QJPTWQEYSA-N 0 0 300.424 0.965 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000247251352 395970988 /nfs/dbraw/zinc/97/09/88/395970988.db2.gz UANCKKPPBGAUCC-NXEZZACHSA-N 0 0 305.304 0.982 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150938737 395975607 /nfs/dbraw/zinc/97/56/07/395975607.db2.gz UZKCIOZJDKERNS-UHFFFAOYSA-N 0 0 308.313 0.524 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000247559264 395976736 /nfs/dbraw/zinc/97/67/36/395976736.db2.gz UPGIKLAQLBNBBM-RFGFWPKPSA-N 0 0 312.410 0.944 10 0 DCAERN Cc1ccc(N2CCC[C@@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701129 395977887 /nfs/dbraw/zinc/97/78/87/395977887.db2.gz XWFVHMVPCBQPKM-HUUCEWRRSA-N 0 0 317.389 0.677 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CSCC1=O ZINC000151073741 395978060 /nfs/dbraw/zinc/97/80/60/395978060.db2.gz MFPJEOANHASFEO-SECBINFHSA-N 0 0 309.395 0.325 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)C1 ZINC000248281214 395984299 /nfs/dbraw/zinc/98/42/99/395984299.db2.gz VGOXZWUKXFGUHN-SLBVQIDZSA-N 0 0 301.390 0.955 10 0 DCAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)CNC(C)=O)C1 ZINC000151371880 395984549 /nfs/dbraw/zinc/98/45/49/395984549.db2.gz SJJFOMQWRIQWMO-CABCVRRESA-N 0 0 318.373 0.928 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000151397561 395985261 /nfs/dbraw/zinc/98/52/61/395985261.db2.gz MCXSZRPVBGYZOT-OAQYLSRUSA-N 0 0 311.407 0.566 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCNC(=O)CC1)C2 ZINC000064497482 395986909 /nfs/dbraw/zinc/98/69/09/395986909.db2.gz MGZNBABPTDAZHA-LBPRGKRZSA-N 0 0 304.346 0.595 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440357 395987017 /nfs/dbraw/zinc/98/70/17/395987017.db2.gz JHFSMWQCFVKIJO-UKRRQHHQSA-N 0 0 308.378 0.182 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000276033319 395988999 /nfs/dbraw/zinc/98/89/99/395988999.db2.gz DWCJTYUSYWYBMT-FOGDFJRCSA-N 0 0 313.379 0.382 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000248563867 395989466 /nfs/dbraw/zinc/98/94/66/395989466.db2.gz OTPNJRWEKHVIAU-DCAQKATOSA-N 0 0 300.384 0.839 10 0 DCAERN Cn1cc(CNC(=O)NCC(=O)NC2CC2)c(C(F)(F)F)n1 ZINC000151683285 395990790 /nfs/dbraw/zinc/99/07/90/395990790.db2.gz BHZPFJDEYSUYPE-UHFFFAOYSA-N 0 0 319.287 0.517 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CCCN(c3cn[nH]c(=O)c3)C2)CC1 ZINC000065313556 395991958 /nfs/dbraw/zinc/99/19/58/395991958.db2.gz RKKIARKBZWDKQD-ZDUSSCGKSA-N 0 0 319.409 0.150 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000151808278 395992883 /nfs/dbraw/zinc/99/28/83/395992883.db2.gz UJLHLGFMWVQCIM-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1C ZINC000248670382 395993678 /nfs/dbraw/zinc/99/36/78/395993678.db2.gz DEMAGWLPHCZUBF-MGPQQGTHSA-N 0 0 311.426 0.613 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248675738 395993982 /nfs/dbraw/zinc/99/39/82/395993982.db2.gz CVNSPMRGZZRTKT-KGLIPLIRSA-N 0 0 319.471 0.758 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000151866412 395994850 /nfs/dbraw/zinc/99/48/50/395994850.db2.gz XEZVFULDRKAYBK-UNJBNNCHSA-N 0 0 313.419 0.885 10 0 DCAERN C[C@@H](CNC(=O)CNC(=O)c1cccnc1)Cn1cccn1 ZINC000152165035 396002177 /nfs/dbraw/zinc/00/21/77/396002177.db2.gz GPGOKHGOLNYBQR-LBPRGKRZSA-N 0 0 301.350 0.460 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000067180726 396022666 /nfs/dbraw/zinc/02/26/66/396022666.db2.gz QXXSTDMSBMBJBV-OAHLLOKOSA-N 0 0 324.402 0.418 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000252653037 396023032 /nfs/dbraw/zinc/02/30/32/396023032.db2.gz RJJRGDIOJMZJAA-MDZLAQPJSA-N 0 0 321.381 0.344 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000253356368 396026312 /nfs/dbraw/zinc/02/63/12/396026312.db2.gz PFQHDRNPQMGYPI-DCAQKATOSA-N 0 0 307.350 0.510 10 0 DCAERN O=C(CCC(=O)c1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000154132395 396032376 /nfs/dbraw/zinc/03/23/76/396032376.db2.gz CWEPKJCJJPOXKH-OAHLLOKOSA-N 0 0 320.389 0.459 10 0 DCAERN COCC(=O)N1C[C@H](CF)C2(C1)CCN(S(C)(=O)=O)CC2 ZINC000257176466 396034136 /nfs/dbraw/zinc/03/41/36/396034136.db2.gz SWKDKYLVLFWKQW-NSHDSACASA-N 0 0 322.402 0.103 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000154268188 396034934 /nfs/dbraw/zinc/03/49/34/396034934.db2.gz XRUYFPRCLYYHHD-GFCCVEGCSA-N 0 0 306.428 0.541 10 0 DCAERN C[C@@]1(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCCO1 ZINC000154309581 396035840 /nfs/dbraw/zinc/03/58/40/396035840.db2.gz CQODIKVKXPYSEI-INIZCTEOSA-N 0 0 303.362 0.935 10 0 DCAERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1S(N)(=O)=O ZINC000154409279 396037418 /nfs/dbraw/zinc/03/74/18/396037418.db2.gz PNNYCROWDOOBAN-NSHDSACASA-N 0 0 300.380 0.988 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000067879584 396037873 /nfs/dbraw/zinc/03/78/73/396037873.db2.gz FUDIOKZAZXLHPQ-IUCAKERBSA-N 0 0 303.384 0.735 10 0 DCAERN NC(=O)C1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000068012416 396042125 /nfs/dbraw/zinc/04/21/25/396042125.db2.gz IBIDFLNEXXCAEP-CPCZMJQVSA-N 0 0 321.421 0.938 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000155213749 396048474 /nfs/dbraw/zinc/04/84/74/396048474.db2.gz STVWZCZHXCSHAR-NSHDSACASA-N 0 0 321.381 0.359 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)C1(C(N)=O)CCCC1 ZINC000155492507 396052341 /nfs/dbraw/zinc/05/23/41/396052341.db2.gz XCULNHOUNTZKOH-UHFFFAOYSA-N 0 0 317.389 0.981 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cccc(F)c2)CCS1(=O)=O ZINC000155554512 396053859 /nfs/dbraw/zinc/05/38/59/396053859.db2.gz VNJWCWZUWQQMHG-SNVBAGLBSA-N 0 0 300.355 0.883 10 0 DCAERN C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC[S@]1=O ZINC000277231554 396056738 /nfs/dbraw/zinc/05/67/38/396056738.db2.gz SWAOWZFJLPYFPI-GIYNXVAASA-N 0 0 324.450 0.785 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261713264 396058531 /nfs/dbraw/zinc/05/85/31/396058531.db2.gz KUFIVFURTZTSOF-LBPRGKRZSA-N 0 0 306.341 0.953 10 0 DCAERN Cc1ccn2ncc(C(=O)NCC(=O)Nc3cccnc3)c2n1 ZINC000068675986 396061756 /nfs/dbraw/zinc/06/17/56/396061756.db2.gz NGFYDXFYEUKRJN-UHFFFAOYSA-N 0 0 310.317 0.801 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@H](C(N)=O)O1 ZINC000157582167 396063188 /nfs/dbraw/zinc/06/31/88/396063188.db2.gz ZFGOMSVQJOIGSD-HZGVNTEJSA-N 0 0 316.155 0.492 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)C[C@@H](C(N)=O)O1 ZINC000157582326 396063680 /nfs/dbraw/zinc/06/36/80/396063680.db2.gz ZFGOMSVQJOIGSD-MUWHJKNJSA-N 0 0 316.155 0.492 10 0 DCAERN O=S(=O)(c1cccnc1)N1CCNC[C@@H]1c1cccnc1 ZINC000261775609 396064911 /nfs/dbraw/zinc/06/49/11/396064911.db2.gz SSMODJZGTHRHQW-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000068883235 396065441 /nfs/dbraw/zinc/06/54/41/396065441.db2.gz VHQNLMWXGBNTJJ-UHFFFAOYSA-N 0 0 319.361 0.116 10 0 DCAERN COCCCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159348303 396068006 /nfs/dbraw/zinc/06/80/06/396068006.db2.gz HLOHIBLHGVQJBJ-LLVKDONJSA-N 0 0 316.427 0.672 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)cn1 ZINC000261817254 396068768 /nfs/dbraw/zinc/06/87/68/396068768.db2.gz XKKCNVPWPJVAAV-CYBMUJFWSA-N 0 0 307.379 0.150 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000249357437 396006286 /nfs/dbraw/zinc/00/62/86/396006286.db2.gz RQLLOGXUPLKGKQ-GBIKHYSHSA-N 0 0 312.316 0.498 10 0 DCAERN CC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000152356526 396007529 /nfs/dbraw/zinc/00/75/29/396007529.db2.gz BIMUJADLXIIMJN-UHFFFAOYSA-N 0 0 300.366 0.967 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249439481 396008344 /nfs/dbraw/zinc/00/83/44/396008344.db2.gz JKQKFMXZNVGPRW-VXGBXAGGSA-N 0 0 305.421 0.732 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152460795 396009765 /nfs/dbraw/zinc/00/97/65/396009765.db2.gz MKTDNXIDUUENCD-YPMHNXCESA-N 0 0 306.366 0.769 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000249870297 396012833 /nfs/dbraw/zinc/01/28/33/396012833.db2.gz JPVMSZLLRWWQTN-ZYHUDNBSSA-N 0 0 324.381 0.310 10 0 DCAERN c1cnn(-c2cncc(NC[C@H]3CN(C4CC4)CCO3)n2)c1 ZINC000066745837 396013768 /nfs/dbraw/zinc/01/37/68/396013768.db2.gz AVZBWHJBUOJHEW-ZDUSSCGKSA-N 0 0 300.366 0.937 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000251677972 396016759 /nfs/dbraw/zinc/01/67/59/396016759.db2.gz IUFURWPFVCEMFG-QPSCCSFWSA-N 0 0 324.421 0.561 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000252321835 396019104 /nfs/dbraw/zinc/01/91/04/396019104.db2.gz ZDCOTWWOZNSYJE-HOCLYGCPSA-N 0 0 305.422 0.954 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H](C)O1 ZINC000252060909 396019278 /nfs/dbraw/zinc/01/92/78/396019278.db2.gz ZVQHAIYTTOGDEL-WOPDTQHZSA-N 0 0 309.370 0.038 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000070192702 396100528 /nfs/dbraw/zinc/10/05/28/396100528.db2.gz LVPSKUWXZPYNFW-HUUCEWRRSA-N 0 0 313.419 0.683 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCCOC2)cc1 ZINC000070303171 396100985 /nfs/dbraw/zinc/10/09/85/396100985.db2.gz QGCXZUMXFRKCNH-LBPRGKRZSA-N 0 0 313.375 0.859 10 0 DCAERN Cc1nc(CN2CCN(Cc3noc(CN)n3)CC2)cs1 ZINC000262132339 396102811 /nfs/dbraw/zinc/10/28/11/396102811.db2.gz DBODMLRVBHCNJS-UHFFFAOYSA-N 0 0 308.411 0.611 10 0 DCAERN Cc1noc(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000171092577 396106367 /nfs/dbraw/zinc/10/63/67/396106367.db2.gz LMANRYMCFLCCBF-UHFFFAOYSA-N 0 0 323.334 0.069 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@@H]1CCCO1 ZINC000171183548 396109883 /nfs/dbraw/zinc/10/98/83/396109883.db2.gz PTTZXRZISTYFRM-STQMWFEESA-N 0 0 305.382 0.876 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCNC(=O)CC2)n1 ZINC000171673646 396122690 /nfs/dbraw/zinc/12/26/90/396122690.db2.gz MTZBSKOEFJSBTL-UHFFFAOYSA-N 0 0 309.370 0.657 10 0 DCAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCCOC1 ZINC000171868706 396127016 /nfs/dbraw/zinc/12/70/16/396127016.db2.gz WFNVUQJVKPPXGZ-SECBINFHSA-N 0 0 318.420 0.907 10 0 DCAERN CCNS(=O)(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000172458585 396132243 /nfs/dbraw/zinc/13/22/43/396132243.db2.gz MRIVKEFPUVXXFI-UHFFFAOYSA-N 0 0 315.443 0.009 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172766576 396133159 /nfs/dbraw/zinc/13/31/59/396133159.db2.gz ARIYUMQUEOEFTG-PEBXRYMYSA-N 0 0 322.430 0.971 10 0 DCAERN CC(=O)c1csc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000173087793 396134130 /nfs/dbraw/zinc/13/41/30/396134130.db2.gz WYMGDHFWYCSIQK-UHFFFAOYSA-N 0 0 307.331 0.600 10 0 DCAERN Cc1ccc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)s1 ZINC000261893678 396076677 /nfs/dbraw/zinc/07/66/77/396076677.db2.gz AQJIZNJRFNQXSX-UHFFFAOYSA-N 0 0 321.406 0.856 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCCN(CC(F)F)CC2)CCC1=O ZINC000162459908 396081266 /nfs/dbraw/zinc/08/12/66/396081266.db2.gz ZTJMNSCHXCEAIK-NSHDSACASA-N 0 0 318.368 0.590 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261942398 396081923 /nfs/dbraw/zinc/08/19/23/396081923.db2.gz KPKCCPCPXDAHIM-KBPBESRZSA-N 0 0 320.418 0.476 10 0 DCAERN CC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)OC ZINC000176192118 396150912 /nfs/dbraw/zinc/15/09/12/396150912.db2.gz ULPHBROPDIJPDT-NSHDSACASA-N 0 0 303.318 0.464 10 0 DCAERN CC(=Cc1ccc(F)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000176681869 396159090 /nfs/dbraw/zinc/15/90/90/396159090.db2.gz DJFZWRYCZIUTLZ-NTMALXAHSA-N 0 0 305.309 0.897 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1Cl ZINC000176746883 396159805 /nfs/dbraw/zinc/15/98/05/396159805.db2.gz MKQXMPSFRWEYBL-ZETCQYMHSA-N 0 0 316.774 0.478 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccccn2)C[C@H]1N1CCOCC1 ZINC000177297689 396171018 /nfs/dbraw/zinc/17/10/18/396171018.db2.gz XUNQQXKVCVNJTH-DZGCQCFKSA-N 0 0 304.394 0.944 10 0 DCAERN COC(=O)Cn1cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cn1 ZINC000177409395 396174343 /nfs/dbraw/zinc/17/43/43/396174343.db2.gz YTFYXDUVNXMXDN-SNVBAGLBSA-N 0 0 303.322 0.838 10 0 DCAERN C[C@H](C(=O)N1CCC(O)CC1)N1C(=O)c2ccccc2C1=O ZINC000075249403 396178711 /nfs/dbraw/zinc/17/87/11/396178711.db2.gz MZOJYDYBJMFMBP-SNVBAGLBSA-N 0 0 302.330 0.654 10 0 DCAERN COc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177625066 396180498 /nfs/dbraw/zinc/18/04/98/396180498.db2.gz FDTSBDCJRIQSHW-LLVKDONJSA-N 0 0 315.333 0.356 10 0 DCAERN Cc1cc(C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)nn1C ZINC000262775564 396180687 /nfs/dbraw/zinc/18/06/87/396180687.db2.gz IAHNXBOFCYUNOW-UHFFFAOYSA-N 0 0 320.393 0.786 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000178139895 396189964 /nfs/dbraw/zinc/18/99/64/396189964.db2.gz WYXUVSYRPFCHTK-UHFFFAOYSA-N 0 0 313.357 0.665 10 0 DCAERN Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CC(F)(F)CN2)no1 ZINC000262941337 396193143 /nfs/dbraw/zinc/19/31/43/396193143.db2.gz IVBHCSNJHUXYPE-MRVPVSSYSA-N 0 0 302.281 0.377 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000280363540 396196386 /nfs/dbraw/zinc/19/63/86/396196386.db2.gz VQJWMETUUDMZKJ-UHFFFAOYSA-N 0 0 319.361 0.258 10 0 DCAERN O=C(NCCNC(=O)[C@H]1CC(F)(F)CN1)c1cccs1 ZINC000263099710 396201240 /nfs/dbraw/zinc/20/12/40/396201240.db2.gz ZGSTWDMEYOCHQM-MRVPVSSYSA-N 0 0 303.334 0.591 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000076358142 396202451 /nfs/dbraw/zinc/20/24/51/396202451.db2.gz YKJBDPCTIRUDPM-NXEZZACHSA-N 0 0 304.354 0.425 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000180805207 396234325 /nfs/dbraw/zinc/23/43/25/396234325.db2.gz GMTINQUJOCQXKE-UHFFFAOYSA-N 0 0 303.366 0.827 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000181998222 396245087 /nfs/dbraw/zinc/24/50/87/396245087.db2.gz KTNFQOAWWLLGOJ-UKRRQHHQSA-N 0 0 313.442 0.900 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000078568783 396248306 /nfs/dbraw/zinc/24/83/06/396248306.db2.gz GJVUYUJDEPRZEQ-CQSZACIVSA-N 0 0 324.406 0.096 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000182785410 396254361 /nfs/dbraw/zinc/25/43/61/396254361.db2.gz QITQNSYTGWFPHH-WDEREUQCSA-N 0 0 303.366 0.485 10 0 DCAERN C[C@H](CS(C)(=O)=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000182920966 396256664 /nfs/dbraw/zinc/25/66/64/396256664.db2.gz WTTCYSSQXCBBOH-OCCSQVGLSA-N 0 0 312.435 0.709 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCO[C@H](CO)C1 ZINC000079030116 396260021 /nfs/dbraw/zinc/26/00/21/396260021.db2.gz UHRRSWJAQLBKLH-MJBXVCDLSA-N 0 0 308.382 0.770 10 0 DCAERN CNC(=O)CCCN(C)C(=O)c1cnc2c(cnn2C)c1OC ZINC000183196125 396264800 /nfs/dbraw/zinc/26/48/00/396264800.db2.gz HMXPGXRBFUIPTP-UHFFFAOYSA-N 0 0 319.365 0.575 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)CCc1nc(C)no1 ZINC000183366051 396268081 /nfs/dbraw/zinc/26/80/81/396268081.db2.gz PBNJXCKTKMCDQQ-UHFFFAOYSA-N 0 0 307.310 0.860 10 0 DCAERN O=C(NCCCn1ccnn1)Nc1cccnc1-n1cncn1 ZINC000183588492 396272169 /nfs/dbraw/zinc/27/21/69/396272169.db2.gz ZYUKOIILPIPALK-UHFFFAOYSA-N 0 0 313.325 0.466 10 0 DCAERN COCCN(Cc1ccco1)C(=O)NCC(=O)NCC1CC1 ZINC000183784750 396274498 /nfs/dbraw/zinc/27/44/98/396274498.db2.gz GRSSXNILEBCIDF-UHFFFAOYSA-N 0 0 309.366 0.964 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N[C@H]3CCc4ncnn4C3)cc2)n1 ZINC000183775380 396274667 /nfs/dbraw/zinc/27/46/67/396274667.db2.gz FQBUJSGGSVVSGE-ZDUSSCGKSA-N 0 0 323.360 0.818 10 0 DCAERN CN1C[C@H](NC(=O)NCc2ccc([S@@](C)=O)cc2)CCC1=O ZINC000080147430 396275613 /nfs/dbraw/zinc/27/56/13/396275613.db2.gz XQPICHTWXVPHHW-IPQOISQHSA-N 0 0 323.418 0.844 10 0 DCAERN CCCCOCC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183849951 396276683 /nfs/dbraw/zinc/27/66/83/396276683.db2.gz OOESGGZSRDOEQA-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN C[C@@H]1CN(C(=O)CN2c3ccccc3CCC2=O)CC(=O)N1C ZINC000282304092 396278836 /nfs/dbraw/zinc/27/88/36/396278836.db2.gz IKIIAWXOLLDRRN-GFCCVEGCSA-N 0 0 315.373 0.655 10 0 DCAERN NS(=O)(=O)CCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178901051 396213693 /nfs/dbraw/zinc/21/36/93/396213693.db2.gz DQHHEAHFYPKDFE-GXFFZTMASA-N 0 0 320.361 0.751 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000280674362 396214085 /nfs/dbraw/zinc/21/40/85/396214085.db2.gz BRZWCSYLRJOLST-VXGBXAGGSA-N 0 0 315.381 0.754 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NCCCc1ccccn1 ZINC000178912291 396214321 /nfs/dbraw/zinc/21/43/21/396214321.db2.gz VDUWOCGBMLCDHS-NSHDSACASA-N 0 0 300.380 0.743 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)Cn1cncn1 ZINC000077251121 396216166 /nfs/dbraw/zinc/21/61/66/396216166.db2.gz FPRSORINCVXHGD-LLVKDONJSA-N 0 0 311.345 0.910 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c[nH]1 ZINC000077615404 396227218 /nfs/dbraw/zinc/22/72/18/396227218.db2.gz MEFIATWEJFFYKC-CYBMUJFWSA-N 0 0 305.382 0.097 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)N(C)CCn1cccn1 ZINC000184012880 396280826 /nfs/dbraw/zinc/28/08/26/396280826.db2.gz XLNADEOWXOOAEB-UHFFFAOYSA-N 0 0 320.353 0.957 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1ccnnc1 ZINC000184996211 396313451 /nfs/dbraw/zinc/31/34/51/396313451.db2.gz OTBNXXWZWGWATG-UHFFFAOYSA-N 0 0 317.324 0.777 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCC(=O)NC3CC3)cc21 ZINC000185009583 396314121 /nfs/dbraw/zinc/31/41/21/396314121.db2.gz FADZLYJBSZHALM-UHFFFAOYSA-N 0 0 301.350 0.757 10 0 DCAERN OC[C@H]1C[C@H](O)CN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138108 396318458 /nfs/dbraw/zinc/31/84/58/396318458.db2.gz WETDRQCYIUYUEO-KGLIPLIRSA-N 0 0 308.769 0.848 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000185180685 396321098 /nfs/dbraw/zinc/32/10/98/396321098.db2.gz PIEYSBGULZELSK-NXEZZACHSA-N 0 0 311.288 0.942 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000080772785 396285761 /nfs/dbraw/zinc/28/57/61/396285761.db2.gz RCAVKZNLJJWDTH-LLVKDONJSA-N 0 0 303.366 0.318 10 0 DCAERN O=C([C@@H]1CSC(=O)N1)N1CCCN(c2ccccn2)CC1 ZINC000184234298 396288367 /nfs/dbraw/zinc/28/83/67/396288367.db2.gz UCJDHFMUTLZQRX-NSHDSACASA-N 0 0 306.391 0.945 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC(=O)N1C ZINC000282431652 396290092 /nfs/dbraw/zinc/29/00/92/396290092.db2.gz RAJICWVCTDZTSI-JTQLQIEISA-N 0 0 301.346 0.874 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000184341064 396291322 /nfs/dbraw/zinc/29/13/22/396291322.db2.gz UEBVBSLVCLJQCU-WCQYABFASA-N 0 0 309.391 0.974 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCCN1CCCCCC1=O ZINC000184335722 396291557 /nfs/dbraw/zinc/29/15/57/396291557.db2.gz NJKSRMPOIFJJDX-STQMWFEESA-N 0 0 318.439 0.876 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCO[C@@]3(CCOC3)C2)[nH]n1 ZINC000184486577 396296838 /nfs/dbraw/zinc/29/68/38/396296838.db2.gz CISIHZSYFWOTNR-NHYWBVRUSA-N 0 0 308.382 0.850 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000184539340 396297698 /nfs/dbraw/zinc/29/76/98/396297698.db2.gz QKSLOMZVSVYWNH-CYBMUJFWSA-N 0 0 317.389 0.942 10 0 DCAERN CS(=O)(=O)CCNC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184537567 396297842 /nfs/dbraw/zinc/29/78/42/396297842.db2.gz MQYCRDNYCOZLQH-UHFFFAOYSA-N 0 0 315.399 0.949 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCO[C@H]3CCOC3)cc21 ZINC000184864676 396308861 /nfs/dbraw/zinc/30/88/61/396308861.db2.gz CLDBTWFNCMMCFL-LBPRGKRZSA-N 0 0 304.350 0.894 10 0 DCAERN COCCNC(=O)CNC(=O)c1ccc2c(c1O)CCCC2 ZINC000184925310 396311011 /nfs/dbraw/zinc/31/10/11/396311011.db2.gz KSJBWGOTPBMOLQ-UHFFFAOYSA-N 0 0 306.362 0.763 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000185431639 396327414 /nfs/dbraw/zinc/32/74/14/396327414.db2.gz BNGJVBFHMZADEM-RYUDHWBXSA-N 0 0 308.444 0.858 10 0 DCAERN CCC1(CC)CN(CCC(=O)NC(=O)NC)CC[S@@]1=O ZINC000185253551 396323065 /nfs/dbraw/zinc/32/30/65/396323065.db2.gz OXXWWISDHPTBAU-FQEVSTJZSA-N 0 0 303.428 0.455 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000185398036 396326924 /nfs/dbraw/zinc/32/69/24/396326924.db2.gz LEDWLKOIBUFZLT-WEPHUFDCSA-N 0 0 307.398 0.782 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000185628601 396331996 /nfs/dbraw/zinc/33/19/96/396331996.db2.gz YVTKSOSJMUNGID-JTQLQIEISA-N 0 0 302.327 0.009 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1 ZINC000185698794 396333342 /nfs/dbraw/zinc/33/33/42/396333342.db2.gz LDJRNXZJZYASBH-CYBMUJFWSA-N 0 0 304.346 0.597 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185904232 396336565 /nfs/dbraw/zinc/33/65/65/396336565.db2.gz VFCRORCHXUBDMM-GFCCVEGCSA-N 0 0 323.397 0.855 10 0 DCAERN CNC(=O)CC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000185929957 396337683 /nfs/dbraw/zinc/33/76/83/396337683.db2.gz YCDVLXKCZPHDAG-OAHLLOKOSA-N 0 0 319.405 0.182 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000185745510 396334728 /nfs/dbraw/zinc/33/47/28/396334728.db2.gz IOINGSVNHLOAOR-UHFFFAOYSA-N 0 0 306.366 0.969 10 0 DCAERN CN(Cc1ccccc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000185852600 396335862 /nfs/dbraw/zinc/33/58/62/396335862.db2.gz GWPYPYYGCFDXBO-ZDUSSCGKSA-N 0 0 311.407 0.862 10 0 DCAERN COc1cnc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nc1 ZINC000283995972 396344173 /nfs/dbraw/zinc/34/41/73/396344173.db2.gz NBKABOZDZAEFLD-QWRGUYRKSA-N 0 0 305.338 0.760 10 0 DCAERN CC[C@H]1CN(C(=O)NCC(=O)N(C)CC)CCN1CC(F)F ZINC000186237259 396345628 /nfs/dbraw/zinc/34/56/28/396345628.db2.gz HXXJKIBJCYZIIE-NSHDSACASA-N 0 0 320.384 0.836 10 0 DCAERN CNC(=O)CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000186240521 396346354 /nfs/dbraw/zinc/34/63/54/396346354.db2.gz DGYXPVBJOFDPCT-CYBMUJFWSA-N 0 0 303.362 0.602 10 0 DCAERN COCC(=O)NC1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000186316570 396347543 /nfs/dbraw/zinc/34/75/43/396347543.db2.gz YSRKKEKTVLXIDH-UHFFFAOYSA-N 0 0 319.336 0.823 10 0 DCAERN CO[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)CC[C@@H]1C ZINC000187773093 396374263 /nfs/dbraw/zinc/37/42/63/396374263.db2.gz FITUZKROQVKVQK-WCQYABFASA-N 0 0 309.366 0.962 10 0 DCAERN CCSCc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)no1 ZINC000186614997 396353272 /nfs/dbraw/zinc/35/32/72/396353272.db2.gz KXADQFKSUCIMAZ-LLVKDONJSA-N 0 0 310.423 0.657 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000186677337 396355396 /nfs/dbraw/zinc/35/53/96/396355396.db2.gz SKAVXOHPSWZNQG-CMPLNLGQSA-N 0 0 306.366 0.776 10 0 DCAERN O=C1NCC[C@@H]1N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186792224 396358462 /nfs/dbraw/zinc/35/84/62/396358462.db2.gz YQOWHPKHXJBDHL-ZETCQYMHSA-N 0 0 321.328 0.567 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187266775 396365656 /nfs/dbraw/zinc/36/56/56/396365656.db2.gz ACPAQASFTGJEJI-UHFFFAOYSA-N 0 0 319.409 0.959 10 0 DCAERN C[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)n1cncn1 ZINC000186433214 396350127 /nfs/dbraw/zinc/35/01/27/396350127.db2.gz NOTMAGLMZXVNIQ-ZDUSSCGKSA-N 0 0 300.366 0.973 10 0 DCAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285728072 396352478 /nfs/dbraw/zinc/35/24/78/396352478.db2.gz YFVXMSUQGHBOEG-INIZCTEOSA-N 0 0 306.362 0.521 10 0 DCAERN O=C(NCCCO)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188303238 396381236 /nfs/dbraw/zinc/38/12/36/396381236.db2.gz YSNZGPXCRNLQFV-CYBMUJFWSA-N 0 0 309.341 0.608 10 0 DCAERN COCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188538453 396382972 /nfs/dbraw/zinc/38/29/72/396382972.db2.gz OTKQYECLDYIJLC-HZPDHXFCSA-N 0 0 320.389 0.643 10 0 DCAERN O=C1NCCc2ccc(S(=O)(=O)NCC3(CCO)CC3)cc21 ZINC000188947100 396389235 /nfs/dbraw/zinc/38/92/35/396389235.db2.gz BGHGVFRUDWUEFO-UHFFFAOYSA-N 0 0 324.402 0.413 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCOC[C@@H]1C1CC1 ZINC000188966000 396389439 /nfs/dbraw/zinc/38/94/39/396389439.db2.gz RIJFIJDOBDQCQW-CYBMUJFWSA-N 0 0 300.318 0.569 10 0 DCAERN COc1cc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)ncn1 ZINC000286364380 396390812 /nfs/dbraw/zinc/39/08/12/396390812.db2.gz DQBQXQHNRLZMEN-SNVBAGLBSA-N 0 0 300.384 0.345 10 0 DCAERN OCCOc1cncc(N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000189208792 396392349 /nfs/dbraw/zinc/39/23/49/396392349.db2.gz BGXLPDQMMZSWLX-GFCCVEGCSA-N 0 0 316.365 0.719 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000189375452 396394146 /nfs/dbraw/zinc/39/41/46/396394146.db2.gz FPACLRRAEROMCV-UHFFFAOYSA-N 0 0 322.409 0.117 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1CC(NC(=O)C2CC2)C1 ZINC000189414821 396395149 /nfs/dbraw/zinc/39/51/49/396395149.db2.gz GIIGJIVREMPLLA-UHFFFAOYSA-N 0 0 322.409 0.355 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3c[nH]c(=S)[nH]3)CCO2)[nH]1 ZINC000193097988 396443800 /nfs/dbraw/zinc/44/38/00/396443800.db2.gz NYRUAZCBLIZNAR-MRVPVSSYSA-N 0 0 308.367 0.593 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3c[nH]c(=S)[nH]3)C2)cn1 ZINC000189432758 396395953 /nfs/dbraw/zinc/39/59/53/396395953.db2.gz DOUHBRCDSSSWNE-VIFPVBQESA-N 0 0 306.395 0.831 10 0 DCAERN CC(C)c1nnc2n1CCN(CC(=O)N1CCN(C)CC1)[C@@H]2C ZINC000189588013 396397128 /nfs/dbraw/zinc/39/71/28/396397128.db2.gz XXEBOHZKRFIETG-CYBMUJFWSA-N 0 0 320.441 0.552 10 0 DCAERN CCCN1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1=O ZINC000190182785 396402964 /nfs/dbraw/zinc/40/29/64/396402964.db2.gz QWNQCZULBGCUTR-GFCCVEGCSA-N 0 0 310.398 0.261 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000190287052 396404223 /nfs/dbraw/zinc/40/42/23/396404223.db2.gz HJEODMVJNGBDFE-AWEZNQCLSA-N 0 0 316.361 0.703 10 0 DCAERN CN1CCCN(C(=O)C(=O)NCCCc2ccccc2)CC1=O ZINC000190355521 396405382 /nfs/dbraw/zinc/40/53/82/396405382.db2.gz CWXJKPAOMSAKHY-UHFFFAOYSA-N 0 0 317.389 0.426 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190360970 396405541 /nfs/dbraw/zinc/40/55/41/396405541.db2.gz RDSGUXAOPIQGLX-JTQLQIEISA-N 0 0 310.398 0.211 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCCN(C)C(=O)C2)n1 ZINC000190379712 396406093 /nfs/dbraw/zinc/40/60/93/396406093.db2.gz KTBLTZGDQLCNHT-UHFFFAOYSA-N 0 0 308.407 0.876 10 0 DCAERN C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190498760 396406952 /nfs/dbraw/zinc/40/69/52/396406952.db2.gz XNVUMJXMOIPPAW-STQMWFEESA-N 0 0 313.442 0.988 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000190566148 396408230 /nfs/dbraw/zinc/40/82/30/396408230.db2.gz ZEBOVNAFMCMFRA-NSHDSACASA-N 0 0 305.334 0.276 10 0 DCAERN CCNS(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190590879 396408287 /nfs/dbraw/zinc/40/82/87/396408287.db2.gz ZTJQUTDSEMLZBV-LBPRGKRZSA-N 0 0 315.370 0.371 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1=O ZINC000190563074 396408522 /nfs/dbraw/zinc/40/85/22/396408522.db2.gz YJJDJIMXYIKRQT-AWEZNQCLSA-N 0 0 315.373 0.683 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@H]1CO ZINC000190603099 396409002 /nfs/dbraw/zinc/40/90/02/396409002.db2.gz QRXOYHGPHVBAQA-NFAWXSAZSA-N 0 0 321.425 0.801 10 0 DCAERN COCCN1CCCN([C@@H](C(N)=O)c2ccccc2)CC1=O ZINC000190786123 396411315 /nfs/dbraw/zinc/41/13/15/396411315.db2.gz VATKCJNTTHMHGA-OAHLLOKOSA-N 0 0 305.378 0.394 10 0 DCAERN Cc1noc(-c2cccnc2NC[C@H](O)CN2CCOCC2)n1 ZINC000269395369 396411354 /nfs/dbraw/zinc/41/13/54/396411354.db2.gz WEWVQYBPDXTVSZ-LBPRGKRZSA-N 0 0 319.365 0.545 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCCCCC2)CC1=O ZINC000190796505 396411873 /nfs/dbraw/zinc/41/18/73/396411873.db2.gz HXIJBGLYKDUOAV-UHFFFAOYSA-N 0 0 311.426 0.570 10 0 DCAERN COc1cccc(CS(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190980739 396413042 /nfs/dbraw/zinc/41/30/42/396413042.db2.gz LSXDDSQCRCIZLX-LLVKDONJSA-N 0 0 312.391 0.735 10 0 DCAERN C[C@@H]1C(=O)NCCCN1c1cc(C(F)(F)F)nc2ncnn21 ZINC000190973109 396413419 /nfs/dbraw/zinc/41/34/19/396413419.db2.gz SPLLZIMDSIIHOJ-SSDOTTSWSA-N 0 0 314.271 0.858 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000190982413 396413930 /nfs/dbraw/zinc/41/39/30/396413930.db2.gz BVSMHAUKRLDQKQ-LLVKDONJSA-N 0 0 312.391 0.984 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191039382 396414684 /nfs/dbraw/zinc/41/46/84/396414684.db2.gz YRNNPHUNBIUDHR-UHFFFAOYSA-N 0 0 303.362 0.878 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1nnc2ccccn21 ZINC000191175995 396416502 /nfs/dbraw/zinc/41/65/02/396416502.db2.gz TXUUIOUHFGUQBD-WDEREUQCSA-N 0 0 316.365 0.710 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)N(CCO)CCO ZINC000191293775 396417993 /nfs/dbraw/zinc/41/79/93/396417993.db2.gz UKPMATFRAFTTDA-UHFFFAOYSA-N 0 0 304.350 0.999 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NCc1ccc(C2CC2)cc1 ZINC000191324361 396418208 /nfs/dbraw/zinc/41/82/08/396418208.db2.gz JGCDNSZPUFNSQH-UHFFFAOYSA-N 0 0 303.362 0.433 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1CC[C@H](O)C1 ZINC000191275778 396418257 /nfs/dbraw/zinc/41/82/57/396418257.db2.gz NBABMCYCHZOLOM-RYUDHWBXSA-N 0 0 301.346 0.674 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000191341359 396418265 /nfs/dbraw/zinc/41/82/65/396418265.db2.gz FBKPKDMLJUNPHX-AVGNSLFASA-N 0 0 324.425 0.696 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCCOCC(F)F)cc1 ZINC000191501420 396420272 /nfs/dbraw/zinc/42/02/72/396420272.db2.gz GBBOZUIDIUNYON-UHFFFAOYSA-N 0 0 316.304 0.823 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3nc(C)oc3c2)CC1=O ZINC000191516926 396420335 /nfs/dbraw/zinc/42/03/35/396420335.db2.gz DFJIMEHCJJCDCP-UHFFFAOYSA-N 0 0 316.317 0.723 10 0 DCAERN CCN1CCCN(C(=O)Nc2cc(CCOC)nn2C)CC1=O ZINC000191553161 396421131 /nfs/dbraw/zinc/42/11/31/396421131.db2.gz PCSTTYYAEBONEO-UHFFFAOYSA-N 0 0 323.397 0.695 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@]3(O)CCSC3)CC2)[nH]1 ZINC000191595865 396421786 /nfs/dbraw/zinc/42/17/86/396421786.db2.gz DYVPTMWHYKOMRY-CQSZACIVSA-N 0 0 310.423 0.941 10 0 DCAERN CN1CCCN(C(=O)NCCc2cn3ccccc3n2)CC1=O ZINC000191930388 396426927 /nfs/dbraw/zinc/42/69/27/396426927.db2.gz LVZSUBZYWOKXGY-UHFFFAOYSA-N 0 0 315.377 0.751 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000193198193 396445640 /nfs/dbraw/zinc/44/56/40/396445640.db2.gz OABQNCDLGOMIOC-CHWSQXEVSA-N 0 0 322.409 0.929 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCCN(C)C(=O)C1 ZINC000191940375 396427941 /nfs/dbraw/zinc/42/79/41/396427941.db2.gz UXKXAVBZXXCYPE-UHFFFAOYSA-N 0 0 307.398 0.453 10 0 DCAERN Cc1ccc(CS(=O)(=O)NC[C@H]2CN(C)CCO2)c(F)c1 ZINC000192018970 396428596 /nfs/dbraw/zinc/42/85/96/396428596.db2.gz NLVPSGUBUQHZBG-ZDUSSCGKSA-N 0 0 316.398 0.884 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCCSCC1 ZINC000287970205 396434821 /nfs/dbraw/zinc/43/48/21/396434821.db2.gz ACFNIRGAMIFCKV-LLVKDONJSA-N 0 0 323.422 0.503 10 0 DCAERN O=S(=O)(CCN1C[C@@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712391 396436107 /nfs/dbraw/zinc/43/61/07/396436107.db2.gz VJWDORNDIZVZDF-NEPJUHHUSA-N 0 0 303.355 0.027 10 0 DCAERN COc1ccnc(NC2CCN(Cc3nnc(C)n3C)CC2)n1 ZINC000192872036 396439303 /nfs/dbraw/zinc/43/93/03/396439303.db2.gz RZQGFNNAIUNKND-UHFFFAOYSA-N 0 0 317.397 0.999 10 0 DCAERN Cn1cnc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000188079251 396378177 /nfs/dbraw/zinc/37/81/77/396378177.db2.gz QOWPADHNPFYDRE-UHFFFAOYSA-N 0 0 300.366 0.983 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000188093696 396378975 /nfs/dbraw/zinc/37/89/75/396378975.db2.gz SNCSJCQKSHQPIL-JTQLQIEISA-N 0 0 323.780 0.807 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CCCO1 ZINC000291509037 396495237 /nfs/dbraw/zinc/49/52/37/396495237.db2.gz OLCZFXUDCKQULT-SNVBAGLBSA-N 0 0 306.366 0.873 10 0 DCAERN CC(C)OC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCO1 ZINC000372212421 396497575 /nfs/dbraw/zinc/49/75/75/396497575.db2.gz SFVYKQCKMJAVGM-QWHCGFSZSA-N 0 0 306.428 0.841 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CCn3nncc3C2)cc1 ZINC000515500010 396506888 /nfs/dbraw/zinc/50/68/88/396506888.db2.gz SFSLDCFLRRJABJ-UHFFFAOYSA-N 0 0 307.379 0.549 10 0 DCAERN O=C(CN(CCO)CC(F)F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193398233 396449844 /nfs/dbraw/zinc/44/98/44/396449844.db2.gz JBYPLMUAOVENMK-RYUDHWBXSA-N 0 0 306.353 0.716 10 0 DCAERN CN(C)C(=O)CCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000193505974 396452565 /nfs/dbraw/zinc/45/25/65/396452565.db2.gz FMNKSESAKRODEG-UHFFFAOYSA-N 0 0 316.361 0.381 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000371712782 396475043 /nfs/dbraw/zinc/47/50/43/396475043.db2.gz ASUIBQKJJBXYBE-CYBMUJFWSA-N 0 0 304.350 0.172 10 0 DCAERN O=Cc1cccc(OCCC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371869600 396479094 /nfs/dbraw/zinc/47/90/94/396479094.db2.gz ITWPYRDBYQVLAU-OAHLLOKOSA-N 0 0 318.373 0.811 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1=O ZINC000372060431 396485592 /nfs/dbraw/zinc/48/55/92/396485592.db2.gz IORSLWVHUFQOCK-JSGCOSHPSA-N 0 0 319.361 0.706 10 0 DCAERN COCCC(C)(C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000373386900 396587687 /nfs/dbraw/zinc/58/76/87/396587687.db2.gz YQPFXHCNUYLFRC-ZDUSSCGKSA-N 0 0 312.410 0.945 10 0 DCAERN NC(=O)[C@H](CO)Nc1ncnc2ccc(Br)cc21 ZINC000581003212 396517835 /nfs/dbraw/zinc/51/78/35/396517835.db2.gz OFQXAWUKMGRKJL-VIFPVBQESA-N 0 0 311.139 0.650 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@](C)(O)CC2)c(C2CC2)n1 ZINC000291900416 396518834 /nfs/dbraw/zinc/51/88/34/396518834.db2.gz XCDKWSHFTDMTFK-INIZCTEOSA-N 0 0 320.393 1.000 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@H](COc3ccccc3)C2)C1 ZINC000520686572 396529453 /nfs/dbraw/zinc/52/94/53/396529453.db2.gz JRNWAOSQQPZPHV-INIZCTEOSA-N 0 0 318.373 0.771 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000527302811 396532777 /nfs/dbraw/zinc/53/27/77/396532777.db2.gz BIFURKYRFOKNNG-VHSXEESVSA-N 0 0 300.380 0.416 10 0 DCAERN c1ccc2c(c1)nc(NCC1COC1)nc2NCC1COC1 ZINC000528226237 396550118 /nfs/dbraw/zinc/55/01/18/396550118.db2.gz NVWDGHITANQEGE-UHFFFAOYSA-N 0 0 300.362 0.590 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000373069528 396563962 /nfs/dbraw/zinc/56/39/62/396563962.db2.gz JUGCIWJMTNHOCQ-WOPDTQHZSA-N 0 0 312.366 0.034 10 0 DCAERN CCc1ncsc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373259744 396579722 /nfs/dbraw/zinc/57/97/22/396579722.db2.gz MGEZLMWBEAAQSG-JTQLQIEISA-N 0 0 324.406 0.187 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000374147539 396643121 /nfs/dbraw/zinc/64/31/21/396643121.db2.gz VGRZFBMGLUQUKB-RHYQMDGZSA-N 0 0 302.396 0.094 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 ZINC000374362908 396658478 /nfs/dbraw/zinc/65/84/78/396658478.db2.gz GZNBSBYFBQVPNP-DZGCQCFKSA-N 0 0 316.405 0.813 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000374190609 396645355 /nfs/dbraw/zinc/64/53/55/396645355.db2.gz TUVZRHHGVGCTSY-ARILJUKYSA-N 0 0 320.437 0.874 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000585735829 396651054 /nfs/dbraw/zinc/65/10/54/396651054.db2.gz KKFLBFGIBZLZEU-UHFFFAOYSA-N 0 0 314.411 0.192 10 0 DCAERN O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2cnn3ccccc23)C1 ZINC000374257702 396651702 /nfs/dbraw/zinc/65/17/02/396651702.db2.gz ZWABTYKBJGIUJP-CQSZACIVSA-N 0 0 320.418 0.990 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374262559 396651745 /nfs/dbraw/zinc/65/17/45/396651745.db2.gz KXCAELADYCYUBG-IUODEOHRSA-N 0 0 317.389 0.771 10 0 DCAERN O=C(COc1ccccc1)NCCCN1CCCS1(=O)=O ZINC000585738183 396651916 /nfs/dbraw/zinc/65/19/16/396651916.db2.gz QNTORDVFFUXBNG-UHFFFAOYSA-N 0 0 312.391 0.607 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000531184325 396591682 /nfs/dbraw/zinc/59/16/82/396591682.db2.gz JWTOVMQYGNWMPK-CYBMUJFWSA-N 0 0 313.361 0.827 10 0 DCAERN CCn1ncnc1CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373469198 396593297 /nfs/dbraw/zinc/59/32/97/396593297.db2.gz YGXWGWJHPLBAJP-HNNXBMFYSA-N 0 0 323.397 0.778 10 0 DCAERN Cc1nnc2ccc(N3CCN(C)[C@@H](c4nccn4C)C3)nn12 ZINC000373679295 396607113 /nfs/dbraw/zinc/60/71/13/396607113.db2.gz FECHSBISHJMYFN-GFCCVEGCSA-N 0 0 312.381 0.659 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373779969 396613768 /nfs/dbraw/zinc/61/37/68/396613768.db2.gz BKZXOLLBIQSRNU-HNNXBMFYSA-N 0 0 322.365 0.155 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000373793790 396614442 /nfs/dbraw/zinc/61/44/42/396614442.db2.gz WWPVPZABWWHMNS-OAHLLOKOSA-N 0 0 322.365 0.155 10 0 DCAERN COC[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000561004996 396628244 /nfs/dbraw/zinc/62/82/44/396628244.db2.gz DVJHSKHMYQCOJD-LBPRGKRZSA-N 0 0 318.333 0.147 10 0 DCAERN O=C(NCCOCC1CC1)C(=O)Nc1ccc2nccn2c1 ZINC000584855928 396630823 /nfs/dbraw/zinc/63/08/23/396630823.db2.gz ATHQWAHACHENCF-UHFFFAOYSA-N 0 0 302.334 0.816 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)C1CCCC1 ZINC000374131397 396641372 /nfs/dbraw/zinc/64/13/72/396641372.db2.gz KEDQAVDNGUCLDS-TXKWRHDYSA-N 0 0 321.421 0.807 10 0 DCAERN CC1(C)CN(C(=O)NCCCN2CCCS2(=O)=O)CCO1 ZINC000586605549 396661586 /nfs/dbraw/zinc/66/15/86/396661586.db2.gz QZRJWEKTACPUAU-UHFFFAOYSA-N 0 0 319.427 0.232 10 0 DCAERN O=C(Nc1cccc2c1CCO2)N[C@@H]1CCCN(CCO)C1=O ZINC000562422784 396663191 /nfs/dbraw/zinc/66/31/91/396663191.db2.gz FKOKGUYTQCPPCM-CYBMUJFWSA-N 0 0 319.361 0.726 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCNC(=O)CC1 ZINC000588095315 396677274 /nfs/dbraw/zinc/67/72/74/396677274.db2.gz GAXZVOTUOOCHJQ-AWEZNQCLSA-N 0 0 301.346 0.313 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000374651368 396678484 /nfs/dbraw/zinc/67/84/84/396678484.db2.gz AVWPAZQCYCURDA-WPRPVWTQSA-N 0 0 302.277 0.705 10 0 DCAERN COCCCS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374728939 396683145 /nfs/dbraw/zinc/68/31/45/396683145.db2.gz HFENNHCGUANWCI-QWHCGFSZSA-N 0 0 321.439 0.510 10 0 DCAERN Cc1noc(CCNC(=O)NCc2cn3c(n2)CCCC3)n1 ZINC000588920314 396699823 /nfs/dbraw/zinc/69/98/23/396699823.db2.gz VBODLTGMBDXFMX-UHFFFAOYSA-N 0 0 304.354 0.953 10 0 DCAERN COc1cncc(N2CCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302228269 396718836 /nfs/dbraw/zinc/71/88/36/396718836.db2.gz QUFQFRCESDUFLO-UHFFFAOYSA-N 0 0 314.349 0.306 10 0 DCAERN CCc1nnc2ccc(NCC3CN(S(=O)(=O)CC)C3)nn21 ZINC000302551074 396720582 /nfs/dbraw/zinc/72/05/82/396720582.db2.gz JYNUSCIJOUKGEV-UHFFFAOYSA-N 0 0 324.410 0.380 10 0 DCAERN CCc1cc(=O)n2nc(N3C[C@@H](C)O[C@@H](COC)C3)sc2n1 ZINC000302559532 396720924 /nfs/dbraw/zinc/72/09/24/396720924.db2.gz MNEVXDGZSIMTQZ-MWLCHTKSSA-N 0 0 324.406 0.954 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)N(C1CC1)C1CCCC1 ZINC000375240996 396721057 /nfs/dbraw/zinc/72/10/57/396721057.db2.gz JRWQCMBSOSQZHL-MRXNPFEDSA-N 0 0 307.438 0.936 10 0 DCAERN CCc1nc([C@H]2CCCCN2C(=O)CN2CCOCC2=O)no1 ZINC000375668961 396793889 /nfs/dbraw/zinc/79/38/89/396793889.db2.gz MJBAACDIUIFMGC-LLVKDONJSA-N 0 0 322.365 0.544 10 0 DCAERN CC[C@@H]1CCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000590167775 396743206 /nfs/dbraw/zinc/74/32/06/396743206.db2.gz GDYVADAMKFJJMB-GFCCVEGCSA-N 0 0 303.428 0.996 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1O ZINC000305768580 396751028 /nfs/dbraw/zinc/75/10/28/396751028.db2.gz UZGVXXNOBAOLBG-VNHYZAJKSA-N 0 0 321.425 0.801 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ccc(Br)o2)C1 ZINC000310325975 396759457 /nfs/dbraw/zinc/75/94/57/396759457.db2.gz YSVDZVXVMFGDES-LLVKDONJSA-N 0 0 303.156 0.854 10 0 DCAERN CO[C@]1(C(=O)NCc2c(Br)cnn2C)CCOC1 ZINC000633978078 396761610 /nfs/dbraw/zinc/76/16/10/396761610.db2.gz HJUYLGVPWBPKHX-LLVKDONJSA-N 0 0 318.171 0.604 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C[C@H](O)COc2ccccc2)CCO1 ZINC000328625349 396825054 /nfs/dbraw/zinc/82/50/54/396825054.db2.gz DAEGQFOPXLCSTI-ZFWWWQNUSA-N 0 0 318.377 0.628 10 0 DCAERN CN1CCN(C(=O)Cn2ccccc2=O)C[C@@H]1c1ncc[nH]1 ZINC000328633004 396826033 /nfs/dbraw/zinc/82/60/33/396826033.db2.gz SFKPDGFQFQTLMV-GFCCVEGCSA-N 0 0 301.350 0.087 10 0 DCAERN CN1CCN(C(=O)[C@H](O)c2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000328639238 396829363 /nfs/dbraw/zinc/82/93/63/396829363.db2.gz WTSCRVMRJMIRHX-ZIAGYGMSSA-N 0 0 300.362 0.958 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1c1nccn1C ZINC000328643395 396829546 /nfs/dbraw/zinc/82/95/46/396829546.db2.gz YWBZIRCYPRLFPZ-STQMWFEESA-N 0 0 319.409 0.104 10 0 DCAERN COC(=O)c1cccc(N2CC(=O)N(C[C@@H](C)CO)C2=O)c1 ZINC000611225983 396840523 /nfs/dbraw/zinc/84/05/23/396840523.db2.gz NWSLFWQZPYJSPR-SNVBAGLBSA-N 0 0 306.318 0.870 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C2CC2)cn1C ZINC000590794436 396842215 /nfs/dbraw/zinc/84/22/15/396842215.db2.gz AMNUNFVPIIRNMA-GFCCVEGCSA-N 0 0 311.407 0.948 10 0 DCAERN C[C@@H](CNC(=O)CSCc1ccc(F)cc1)S(N)(=O)=O ZINC000611257827 396846882 /nfs/dbraw/zinc/84/68/82/396846882.db2.gz ULCIHCMCDOETHF-VIFPVBQESA-N 0 0 320.411 0.852 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CCNC(=O)CC3)[C@H]2C1 ZINC000564635363 396848420 /nfs/dbraw/zinc/84/84/20/396848420.db2.gz UYHJLNPPZGCQHZ-MELADBBJSA-N 0 0 322.409 0.165 10 0 DCAERN C[C@@H](C(=O)N(C)[C@@H]1CCOC1)[C@H](C)C(=O)N(C)[C@@H]1CCOC1 ZINC000330056349 396853157 /nfs/dbraw/zinc/85/31/57/396853157.db2.gz VSNAIMOFTMLJQB-XJFOESAGSA-N 0 0 312.410 0.753 10 0 DCAERN CC(=O)C1(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000564659668 396854468 /nfs/dbraw/zinc/85/44/68/396854468.db2.gz WODUWYMVNZGJJW-LLVKDONJSA-N 0 0 323.370 0.707 10 0 DCAERN CC(=O)CSCC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376026729 396865229 /nfs/dbraw/zinc/86/52/29/396865229.db2.gz SZZJNVLINXBWRI-NSHDSACASA-N 0 0 322.452 0.191 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@H]1O)N1CCC1 ZINC000375713870 396802997 /nfs/dbraw/zinc/80/29/97/396802997.db2.gz HCVSTRVFZJYFAO-NEPJUHHUSA-N 0 0 304.412 0.094 10 0 DCAERN Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000564771816 396867216 /nfs/dbraw/zinc/86/72/16/396867216.db2.gz HQLDEXYPCXAHPZ-NSHDSACASA-N 0 0 314.349 0.459 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nc(Cl)cs2)C1 ZINC000375747599 396811121 /nfs/dbraw/zinc/81/11/21/396811121.db2.gz DNXRRBJRQXYUJB-ZCFIWIBFSA-N 0 0 309.800 0.560 10 0 DCAERN COC(=O)c1occc1CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611072223 396812677 /nfs/dbraw/zinc/81/26/77/396812677.db2.gz RNTWBDCUZHQCKW-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000332861111 396898621 /nfs/dbraw/zinc/89/86/21/396898621.db2.gz DCYUUQXONOZYEI-CIQGVGRVSA-N 0 0 308.382 0.662 10 0 DCAERN C[C@@H](CNC(=O)N1CCN2CCOC[C@@H]2C1)c1nccs1 ZINC000376305209 396906522 /nfs/dbraw/zinc/90/65/22/396906522.db2.gz QFHXEMDIPCYJRR-RYUDHWBXSA-N 0 0 310.423 0.973 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@@H](OCCO)C1 ZINC000333180172 396919664 /nfs/dbraw/zinc/91/96/64/396919664.db2.gz POZLFBIXSISNPR-XJFOESAGSA-N 0 0 303.424 0.978 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000591403760 396914600 /nfs/dbraw/zinc/91/46/00/396914600.db2.gz LQDDDRXNEQRVSE-UHFFFAOYSA-N 0 0 306.366 0.765 10 0 DCAERN Cc1cc(CCNC(=O)c2cnc3c(c2)NC(=O)CO3)on1 ZINC000376391482 396920771 /nfs/dbraw/zinc/92/07/71/396920771.db2.gz LFRYWTFAMAIFFR-UHFFFAOYSA-N 0 0 302.290 0.681 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)CC[C@@H]2CCCO2)C1=O ZINC000569900263 396921408 /nfs/dbraw/zinc/92/14/08/396921408.db2.gz SBCUKJFYIYSQRX-QWHCGFSZSA-N 0 0 320.393 0.991 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630039485 396927384 /nfs/dbraw/zinc/92/73/84/396927384.db2.gz FQIYIDAHZQQKHK-KBPBESRZSA-N 0 0 314.426 0.125 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cc(F)ccc1Cl ZINC000625595889 396941285 /nfs/dbraw/zinc/94/12/85/396941285.db2.gz ZCLCPIHJYRILSQ-UWVGGRQHSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)COc1ccc(NC(=O)NCc2cn(C)nn2)cc1 ZINC000611944114 396954350 /nfs/dbraw/zinc/95/43/50/396954350.db2.gz ATXVKKLACSYIOK-UHFFFAOYSA-N 0 0 319.321 0.689 10 0 DCAERN CCC(O)(CC)CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000625633719 396961604 /nfs/dbraw/zinc/96/16/04/396961604.db2.gz UNRALVTWXAVZCF-RYUDHWBXSA-N 0 0 308.444 0.823 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1CC(=O)N(C)C1=O ZINC000625714022 396985603 /nfs/dbraw/zinc/98/56/03/396985603.db2.gz ALLCZDDSONTYDF-UHFFFAOYSA-N 0 0 318.333 0.502 10 0 DCAERN Cn1cc([C@H](O)CNC(=O)c2cc3c(cn2)OCCC3)cn1 ZINC000376875473 396990993 /nfs/dbraw/zinc/99/09/93/396990993.db2.gz JQURCXDILCEENO-CYBMUJFWSA-N 0 0 302.334 0.604 10 0 DCAERN CCOCn1nc(C)c(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c1C ZINC000630392558 397009548 /nfs/dbraw/zinc/00/95/48/397009548.db2.gz YDPYAVPBJJHPKK-BXUZGUMPSA-N 0 0 322.409 0.820 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1cncnc1 ZINC000618677782 397011541 /nfs/dbraw/zinc/01/15/41/397011541.db2.gz XXFAHCXGEKHCHX-MNOVXSKESA-N 0 0 312.395 0.072 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccsc2)CCN1S(C)(=O)=O ZINC000618680407 397012352 /nfs/dbraw/zinc/01/23/52/397012352.db2.gz WJRZMGVCSYPPIN-SNVBAGLBSA-N 0 0 302.421 0.783 10 0 DCAERN O=S(=O)(NC1CC1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000572091387 397018175 /nfs/dbraw/zinc/01/81/75/397018175.db2.gz NCTUXGMVAUTDHI-CQSZACIVSA-N 0 0 312.391 0.763 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)ccn1 ZINC000618721682 397018355 /nfs/dbraw/zinc/01/83/55/397018355.db2.gz YFBDTFCUKOAXEQ-UWVGGRQHSA-N 0 0 323.349 0.276 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCn1ccnc1 ZINC000618754141 397022395 /nfs/dbraw/zinc/02/23/95/397022395.db2.gz DENGGLDKXIKRRW-RYUDHWBXSA-N 0 0 324.381 0.236 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1ccnc1 ZINC000618754139 397022789 /nfs/dbraw/zinc/02/27/89/397022789.db2.gz DENGGLDKXIKRRW-NEPJUHHUSA-N 0 0 324.381 0.236 10 0 DCAERN Cc1nc2c(nccc2C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)[nH]1 ZINC000377059757 397024444 /nfs/dbraw/zinc/02/44/44/397024444.db2.gz BGTJUWSSIHCMHH-JTQLQIEISA-N 0 0 313.317 0.286 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000347610756 397032565 /nfs/dbraw/zinc/03/25/65/397032565.db2.gz FJHQZBVYWOFTCD-REWJHTLYSA-N 0 0 322.405 0.698 10 0 DCAERN CC(=O)c1ccccc1OCCN1CCO[C@H](CC(N)=O)C1 ZINC000626083726 397075886 /nfs/dbraw/zinc/07/58/86/397075886.db2.gz AHQSXRLLEBMCFZ-CYBMUJFWSA-N 0 0 306.362 0.844 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000630574117 397050053 /nfs/dbraw/zinc/05/00/53/397050053.db2.gz OHMNZTAQWVKKNQ-AWEZNQCLSA-N 0 0 319.405 0.959 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](C)CC(C)=O ZINC000612790481 397138452 /nfs/dbraw/zinc/13/84/52/397138452.db2.gz FUAHQFLZILNSCH-HFOBELJZSA-N 0 0 310.394 0.836 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](C)CC(C)=O ZINC000612790484 397138594 /nfs/dbraw/zinc/13/85/94/397138594.db2.gz FUAHQFLZILNSCH-XZMAXGJCSA-N 0 0 310.394 0.836 10 0 DCAERN CC(=O)N1CCN(c2c(F)cccc2S(N)(=O)=O)CC1 ZINC000631029835 397158900 /nfs/dbraw/zinc/15/89/00/397158900.db2.gz GLVGADQMJRADHZ-UHFFFAOYSA-N 0 0 301.343 0.142 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC(N)=O)C2)nc1 ZINC000626493924 397175329 /nfs/dbraw/zinc/17/53/29/397175329.db2.gz ZVYZKFQYRVGOPI-NSHDSACASA-N 0 0 306.322 0.392 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000626233672 397116554 /nfs/dbraw/zinc/11/65/54/397116554.db2.gz CGYJDFOOLDNKIW-VIFPVBQESA-N 0 0 313.398 0.280 10 0 DCAERN O=C(N[C@H](C1CC1)C(F)(F)F)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000626565788 397193293 /nfs/dbraw/zinc/19/32/93/397193293.db2.gz ASQXZQURWSYPOF-OPRDCNLKSA-N 0 0 319.287 0.546 10 0 DCAERN CCN1CC[C@@H](NC(=O)Cc2cccc(C(=O)OC)c2)C1=O ZINC000619802423 397195185 /nfs/dbraw/zinc/19/51/85/397195185.db2.gz CHWLMZOOUONVQS-CYBMUJFWSA-N 0 0 304.346 0.753 10 0 DCAERN CCN1CC[C@H](NC(=O)C23CCC(C(=O)OC)(CC2)C3)C1=O ZINC000619803156 397196659 /nfs/dbraw/zinc/19/66/59/397196659.db2.gz YKKSOVKBVBOKBO-SOISORPOSA-N 0 0 308.378 0.847 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)N[C@H]1CCN(CC)C1=O ZINC000619824881 397197627 /nfs/dbraw/zinc/19/76/27/397197627.db2.gz APBHCWRZIBMOMG-MNOVXSKESA-N 0 0 315.439 0.371 10 0 DCAERN CCN1CC[C@@H](NC(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)C1=O ZINC000619829150 397197988 /nfs/dbraw/zinc/19/79/88/397197988.db2.gz AVKKJSBDZWHWEM-VXGBXAGGSA-N 0 0 323.393 0.592 10 0 DCAERN CC(=O)CSCC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000601701227 397218390 /nfs/dbraw/zinc/21/83/90/397218390.db2.gz NQMMAGXFUHIZOO-ZIAGYGMSSA-N 0 0 309.387 0.959 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000619984915 397220284 /nfs/dbraw/zinc/22/02/84/397220284.db2.gz OAZOXZGDDYLXFH-UONOGXRCSA-N 0 0 324.425 0.602 10 0 DCAERN CC(=O)CSCC(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000598387864 397223007 /nfs/dbraw/zinc/22/30/07/397223007.db2.gz OOVRHVHDYPHAOE-GFCCVEGCSA-N 0 0 313.423 0.715 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000364761833 397244183 /nfs/dbraw/zinc/24/41/83/397244183.db2.gz WJNCIESVEVKBMG-NWDGAFQWSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000364771169 397245830 /nfs/dbraw/zinc/24/58/30/397245830.db2.gz MTXBDAZQDPBADQ-SAHAZLINSA-N 0 0 324.402 1.000 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)nn1 ZINC000620406632 397266976 /nfs/dbraw/zinc/26/69/76/397266976.db2.gz JHCTYMVAFYBTNU-GFCCVEGCSA-N 0 0 321.381 0.244 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000380418049 397269378 /nfs/dbraw/zinc/26/93/78/397269378.db2.gz GYVWIHLIQJZQKY-STQMWFEESA-N 0 0 306.428 0.577 10 0 DCAERN COC[C@](C)(CO)NC(=O)CCc1nc(CSC)no1 ZINC000613534837 397275185 /nfs/dbraw/zinc/27/51/85/397275185.db2.gz WASBLXWJOBUZII-LBPRGKRZSA-N 0 0 303.384 0.379 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000365551223 397293998 /nfs/dbraw/zinc/29/39/98/397293998.db2.gz WBZNHSBKVYKWRJ-UJPOAAIJSA-N 0 0 318.439 0.744 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000613718963 397307894 /nfs/dbraw/zinc/30/78/94/397307894.db2.gz NVRVWRLTQLBNMR-NEPJUHHUSA-N 0 0 322.427 0.614 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@@H](C)O1 ZINC000395105375 397309113 /nfs/dbraw/zinc/30/91/13/397309113.db2.gz OWKQLMFKUNTQJW-BHNWBGBOSA-N 0 0 304.393 0.691 10 0 DCAERN CC1(C)C[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)CO1 ZINC000396487877 397310434 /nfs/dbraw/zinc/31/04/34/397310434.db2.gz AQWONTBZUOONFV-QMMMGPOBSA-N 0 0 304.393 0.693 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)nc1C ZINC000396675105 397310476 /nfs/dbraw/zinc/31/04/76/397310476.db2.gz BNQWYPQZNHJOAJ-JTQLQIEISA-N 0 0 300.384 0.158 10 0 DCAERN Cc1oc(C(=O)N[C@H]2COC(C)(C)C2)cc1S(N)(=O)=O ZINC000396526230 397310647 /nfs/dbraw/zinc/31/06/47/397310647.db2.gz XFRDFWOWJHDKGR-MRVPVSSYSA-N 0 0 302.352 0.533 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000365249384 397253271 /nfs/dbraw/zinc/25/32/71/397253271.db2.gz WXVMZPMBORCCFN-KZTGVZKYSA-N 0 0 323.393 0.542 10 0 DCAERN O=C1CN(S(=O)(=O)c2c(F)cccc2F)CCN1C1CC1 ZINC000407953870 397334772 /nfs/dbraw/zinc/33/47/72/397334772.db2.gz DFPLVZUMPQDIDF-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN CC(C)(C)n1ncnc1CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000407952736 397335023 /nfs/dbraw/zinc/33/50/23/397335023.db2.gz ANDXMNIUIXDLOC-HNNXBMFYSA-N 0 0 323.397 0.734 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)c1 ZINC000407955825 397335477 /nfs/dbraw/zinc/33/54/77/397335477.db2.gz IAZLBXXZPRJVMV-KRWDZBQOSA-N 0 0 316.405 0.955 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407960247 397336987 /nfs/dbraw/zinc/33/69/87/397336987.db2.gz ZDWZLRJESVXPJZ-CYBMUJFWSA-N 0 0 307.394 0.467 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)O1 ZINC000407959763 397337332 /nfs/dbraw/zinc/33/73/32/397337332.db2.gz SYZCFMHGJHEFRX-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cn2cc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)sc2n1 ZINC000407961729 397338202 /nfs/dbraw/zinc/33/82/02/397338202.db2.gz ALWFXQZFWMKFBR-SECBINFHSA-N 0 0 313.404 0.963 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC(=O)N1C ZINC000407968031 397340766 /nfs/dbraw/zinc/34/07/66/397340766.db2.gz FBEASNLLLWBULT-SECBINFHSA-N 0 0 319.390 0.846 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134408 397340794 /nfs/dbraw/zinc/34/07/94/397340794.db2.gz GDBVRKYDEQLUGQ-AAVRWANBSA-N 0 0 311.426 0.741 10 0 DCAERN CNS(=O)(=O)CCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000407993305 397343909 /nfs/dbraw/zinc/34/39/09/397343909.db2.gz NWMKOIAPJVKHSZ-JHJVBQTASA-N 0 0 306.428 0.194 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)CN1CCOCC1=O)[C@H]2C ZINC000366152982 397344138 /nfs/dbraw/zinc/34/41/38/397344138.db2.gz UAXAAGCPAPUACE-NSHDSACASA-N 0 0 321.381 0.164 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000408332979 397353888 /nfs/dbraw/zinc/35/38/88/397353888.db2.gz YGPRVAURWNHCLZ-XQQFMLRXSA-N 0 0 318.439 0.732 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000408360767 397354849 /nfs/dbraw/zinc/35/48/49/397354849.db2.gz YVBHJULRZUYFEB-LUYZLQTOSA-N 0 0 320.389 0.977 10 0 DCAERN CNCc1nc(-c2cn(CC(F)(F)F)c(=O)[nH]c2=O)no1 ZINC000409443529 397359025 /nfs/dbraw/zinc/35/90/25/397359025.db2.gz ORRSCFGUMKJBKL-UHFFFAOYSA-N 0 0 305.216 0.281 10 0 DCAERN C[C@@H]1CC2(CCC2)CN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000614011749 397361825 /nfs/dbraw/zinc/36/18/25/397361825.db2.gz DSVVXWNNNLCRMG-GFCCVEGCSA-N 0 0 305.382 0.970 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000365794178 397318146 /nfs/dbraw/zinc/31/81/46/397318146.db2.gz TVQPDSYWEQZQRV-GFCCVEGCSA-N 0 0 315.439 0.996 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000620913194 397318925 /nfs/dbraw/zinc/31/89/25/397318925.db2.gz YBCVVZFMOXZPIP-OAHLLOKOSA-N 0 0 323.437 0.567 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CC[C@@H]3OCCN[C@H]3C2)s1 ZINC000404110134 397327277 /nfs/dbraw/zinc/32/72/77/397327277.db2.gz DFQMCRXUZDYERF-UWVGGRQHSA-N 0 0 303.409 0.203 10 0 DCAERN C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3nccn3c2)CCN1C ZINC000578422397 397432493 /nfs/dbraw/zinc/43/24/93/397432493.db2.gz TYRWRSPRIPCBMB-RYUDHWBXSA-N 0 0 315.377 0.824 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCC(N2CCN(C)CC2=O)CC1 ZINC000369173080 397433438 /nfs/dbraw/zinc/43/34/38/397433438.db2.gz DYQFAAYZAATALA-DOMZBBRYSA-N 0 0 309.410 0.176 10 0 DCAERN Cn1[nH]c([C@H]2CCCN2C(=O)[C@H](CO)c2ccccc2)nc1=N ZINC000614427394 397436138 /nfs/dbraw/zinc/43/61/38/397436138.db2.gz RAAKYJIPIYDBBT-CHWSQXEVSA-N 0 0 315.377 0.667 10 0 DCAERN COCc1nc2n(n1)C[C@H](N1C(=O)N[C@@H](CC3CC3)C1=O)CC2 ZINC000578595171 397457243 /nfs/dbraw/zinc/45/72/43/397457243.db2.gz NYDKNMAUDGPUNV-MNOVXSKESA-N 0 0 319.365 0.460 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCOc3ccc(O)cc3C2)C1 ZINC000621526193 397392706 /nfs/dbraw/zinc/39/27/06/397392706.db2.gz ITRRYWSWVLFQCQ-CYBMUJFWSA-N 0 0 319.361 0.917 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000367681631 397407441 /nfs/dbraw/zinc/40/74/41/397407441.db2.gz FXVCSBQSRIIZRF-MNOVXSKESA-N 0 0 307.437 0.544 10 0 DCAERN CO[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000578675265 397470816 /nfs/dbraw/zinc/47/08/16/397470816.db2.gz XXPDDMOSKQDKLP-STQMWFEESA-N 0 0 309.410 0.223 10 0 DCAERN CCOC(=O)c1ncc(CN(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000602758976 397479216 /nfs/dbraw/zinc/47/92/16/397479216.db2.gz IRGRFCLUJPVPTM-VIFPVBQESA-N 0 0 318.420 0.939 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(OC)CCC1 ZINC000488313513 397489336 /nfs/dbraw/zinc/48/93/36/397489336.db2.gz NIDMYZNVQYXRSQ-NXEZZACHSA-N 0 0 300.355 0.128 10 0 DCAERN Cc1noc(CNC(=O)C(=O)Nc2cccc3c2OCCC3)n1 ZINC000370480097 397491430 /nfs/dbraw/zinc/49/14/30/397491430.db2.gz MJEHCSAMXQIKSZ-UHFFFAOYSA-N 0 0 316.317 0.958 10 0 DCAERN Cn1cnn(CC(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1=O ZINC000488422604 397493821 /nfs/dbraw/zinc/49/38/21/397493821.db2.gz VHYZLZXIFQMAJX-UHFFFAOYSA-N 0 0 313.317 0.072 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(CCOC)CC1 ZINC000488254817 397487603 /nfs/dbraw/zinc/48/76/03/397487603.db2.gz RQCSHUPQQNBHCF-QWRGUYRKSA-N 0 0 314.382 0.376 10 0 DCAERN CCN1CCO[C@H](CN2CCN(C(=O)c3[nH]ccc3C)CC2)C1 ZINC000370458700 397487770 /nfs/dbraw/zinc/48/77/70/397487770.db2.gz AGHYJAZJPLEGFB-HNNXBMFYSA-N 0 0 320.437 0.802 10 0 DCAERN COC(=O)c1cn([C@@H]2CCN(Cc3ccnc(C)n3)C2)nn1 ZINC000370672522 397513334 /nfs/dbraw/zinc/51/33/34/397513334.db2.gz FQHBHKIFNSERCF-GFCCVEGCSA-N 0 0 302.338 0.610 10 0 DCAERN CC(C)(COCc1ccccc1)C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000370580092 397503792 /nfs/dbraw/zinc/50/37/92/397503792.db2.gz QCIKTENAIPMAMK-QGZVFWFLSA-N 0 0 320.389 0.678 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1(CO)CC1 ZINC000579133862 397528616 /nfs/dbraw/zinc/52/86/16/397528616.db2.gz OTDCJVXKAXBDSE-UHFFFAOYSA-N 0 0 319.361 0.805 10 0 DCAERN O=C(N1CCN([C@H]2CCCCNC2=O)CC1)C1(O)CCCC1 ZINC000371091391 397543230 /nfs/dbraw/zinc/54/32/30/397543230.db2.gz VLAMOIKQVXRYKA-ZDUSSCGKSA-N 0 0 309.410 0.104 10 0 DCAERN CC(C)NC(=O)CN(C)CC(=O)Nc1ccc2nccn2c1 ZINC000603881720 397624701 /nfs/dbraw/zinc/62/47/01/397624701.db2.gz GWIPIFJFMSFHEI-UHFFFAOYSA-N 0 0 303.366 0.729 10 0 DCAERN O=C(CCC(F)(F)F)NCCCN1CCCS1(=O)=O ZINC000608123558 397717178 /nfs/dbraw/zinc/71/71/78/397717178.db2.gz PYUIEKPMJPWLNY-UHFFFAOYSA-N 0 0 302.318 0.871 10 0 DCAERN Cc1nnc(Cn2cc(S(=O)(=O)N(C)C)cn2)n1C1CC1 ZINC000606154008 397678307 /nfs/dbraw/zinc/67/83/07/397678307.db2.gz CPJGDGKOMWVWNP-UHFFFAOYSA-N 0 0 310.383 0.417 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cncc(O)c1 ZINC000606444931 397681842 /nfs/dbraw/zinc/68/18/42/397681842.db2.gz HKGDZRPSLUSWJZ-OAHLLOKOSA-N 0 0 307.350 0.083 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000607925450 397707061 /nfs/dbraw/zinc/70/70/61/397707061.db2.gz SKGRKVXKCLLUFY-RYUDHWBXSA-N 0 0 303.362 0.542 10 0 DCAERN CC[C@H](O)CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000608664429 397743355 /nfs/dbraw/zinc/74/33/55/397743355.db2.gz AHKSCXMHINFYIA-LBPRGKRZSA-N 0 0 321.443 0.262 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000610499498 397826940 /nfs/dbraw/zinc/82/69/40/397826940.db2.gz NEFIOJUGFGAMJR-NWDGAFQWSA-N 0 0 308.378 0.799 10 0 DCAERN COc1ccc(OC)c2c1CN([C@@H]1CCN(C)C1=O)C[C@@H]2O ZINC000246810043 286345309 /nfs/dbraw/zinc/34/53/09/286345309.db2.gz BKCPEQIDYBPCJI-NEPJUHHUSA-N 0 0 306.362 0.784 10 0 DCAERN COc1cnc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nc1 ZINC000283995964 286534241 /nfs/dbraw/zinc/53/42/41/286534241.db2.gz NBKABOZDZAEFLD-GHMZBOCLSA-N 0 0 305.338 0.760 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000177059116 286651572 /nfs/dbraw/zinc/65/15/72/286651572.db2.gz XBNSGOIMLAKCTL-AAEUAGOBSA-N 0 0 306.428 0.325 10 0 DCAERN Cn1nccc1CNC(=O)NCCNC(=O)c1cccs1 ZINC000046925244 158002685 /nfs/dbraw/zinc/00/26/85/158002685.db2.gz ZVSPHMWLOGSYLP-UHFFFAOYSA-N 0 0 307.379 0.711 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)COCCOCC)C1 ZINC000050691092 158011942 /nfs/dbraw/zinc/01/19/42/158011942.db2.gz HJJKFCWGLQOQPK-ZDUSSCGKSA-N 0 0 300.399 0.804 10 0 DCAERN CN(C)C(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000053608371 158018032 /nfs/dbraw/zinc/01/80/32/158018032.db2.gz FSLRARSQOLWEOC-UHFFFAOYSA-N 0 0 307.398 0.543 10 0 DCAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H](C)NC(N)=O)C2 ZINC000056122202 158024227 /nfs/dbraw/zinc/02/42/27/158024227.db2.gz ZHIUNDWJMISVEL-SECBINFHSA-N 0 0 304.350 0.587 10 0 DCAERN COCCOCCC(=O)NCc1cccnc1-n1ccnc1 ZINC000063286025 158030726 /nfs/dbraw/zinc/03/07/26/158030726.db2.gz KFEDVHJKFNQTNT-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(=O)[nH]c1 ZINC000067199041 158039166 /nfs/dbraw/zinc/03/91/66/158039166.db2.gz FYFXGXXHJNZMJI-AWEZNQCLSA-N 0 0 313.357 0.804 10 0 DCAERN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1noc(C(C)C)n1 ZINC000067720467 158041071 /nfs/dbraw/zinc/04/10/71/158041071.db2.gz VYSIXXDHINLPHK-UHFFFAOYSA-N 0 0 315.355 0.462 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000068098670 158042018 /nfs/dbraw/zinc/04/20/18/158042018.db2.gz SVPDHOGNIGMHCU-MWLCHTKSSA-N 0 0 311.407 0.721 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCC(O)CC1 ZINC000068518331 158043263 /nfs/dbraw/zinc/04/32/63/158043263.db2.gz VETMJBSSCYZBFM-RUXDESIVSA-N 0 0 305.378 0.686 10 0 DCAERN O=C1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CCN1 ZINC000069039134 158045572 /nfs/dbraw/zinc/04/55/72/158045572.db2.gz AJXXCVALIVNKAE-UHFFFAOYSA-N 0 0 320.374 0.383 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000070017697 158046489 /nfs/dbraw/zinc/04/64/89/158046489.db2.gz CEJMXGBUBROIAD-HIFRSBDPSA-N 0 0 315.435 0.929 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCCN(C2CC2)CC1 ZINC000072682178 158052357 /nfs/dbraw/zinc/05/23/57/158052357.db2.gz OLYDMESGSUTGCB-LLVKDONJSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCO[C@H](c2ccccc2F)C1 ZINC000074560690 158060023 /nfs/dbraw/zinc/06/00/23/158060023.db2.gz GXOGCASNUONGQA-ZDUSSCGKSA-N 0 0 305.309 0.992 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccnc2)CC1 ZINC000075018641 158060777 /nfs/dbraw/zinc/06/07/77/158060777.db2.gz QHNYYNKUNSGGRT-UHFFFAOYSA-N 0 0 312.395 0.036 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CNC(=O)COc1ccccc1 ZINC000077139230 158066527 /nfs/dbraw/zinc/06/65/27/158066527.db2.gz DKWYYBDQSHKYGA-BETUJISGSA-N 0 0 306.362 0.817 10 0 DCAERN O=C(NC[C@H]1CCCO1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077650252 158069063 /nfs/dbraw/zinc/06/90/63/158069063.db2.gz IXMRFSWWKHTQKH-GFCCVEGCSA-N 0 0 316.317 0.970 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)CC1)C(=O)N1CCCC[C@@H]1C ZINC000077619239 158069395 /nfs/dbraw/zinc/06/93/95/158069395.db2.gz MKKXUXMZQNJQIT-RYUDHWBXSA-N 0 0 310.398 0.307 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@H]1CCCO1 ZINC000078293069 158071464 /nfs/dbraw/zinc/07/14/64/158071464.db2.gz BZUAYLMXPBJLMR-WCQYABFASA-N 0 0 321.381 0.346 10 0 DCAERN CCCN(CCO)C(=O)NCc1cccnc1-n1cncn1 ZINC000079216884 158077755 /nfs/dbraw/zinc/07/77/55/158077755.db2.gz MUNSDWPNTODNDM-UHFFFAOYSA-N 0 0 304.354 0.576 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000081440096 158083957 /nfs/dbraw/zinc/08/39/57/158083957.db2.gz HEEWMEHSXUNVQS-LBPRGKRZSA-N 0 0 315.373 0.842 10 0 DCAERN COCCN(CCOC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083749531 158088438 /nfs/dbraw/zinc/08/84/38/158088438.db2.gz NOFFXUGHAACYAH-LBPRGKRZSA-N 0 0 311.386 0.726 10 0 DCAERN CCc1noc(CC)c1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000088202204 158093310 /nfs/dbraw/zinc/09/33/10/158093310.db2.gz IOVZMNWFTSQUBQ-UHFFFAOYSA-N 0 0 322.365 0.746 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCS(C)(=O)=O ZINC000088196819 158093370 /nfs/dbraw/zinc/09/33/70/158093370.db2.gz UYXDBAAJZTXJTE-JTQLQIEISA-N 0 0 314.411 0.616 10 0 DCAERN C[C@H](NC(=O)[C@@H]1COCCN1)c1ccc(S(C)(=O)=O)cc1 ZINC000088371856 158094422 /nfs/dbraw/zinc/09/44/22/158094422.db2.gz XZAAZRFJSFJWQJ-GWCFXTLKSA-N 0 0 312.391 0.256 10 0 DCAERN CCOCCS(=O)(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000088786943 158095527 /nfs/dbraw/zinc/09/55/27/158095527.db2.gz SPBMYEINCQRKJQ-JTQLQIEISA-N 0 0 302.400 0.631 10 0 DCAERN CNC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000089572319 158098303 /nfs/dbraw/zinc/09/83/03/158098303.db2.gz FQSGVDKIIGPMGK-LBPRGKRZSA-N 0 0 320.393 0.709 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@@](C)(O)CO)c1cccs1 ZINC000090287198 158103004 /nfs/dbraw/zinc/10/30/04/158103004.db2.gz OHVPRESXNNYDET-ZWNOBZJWSA-N 0 0 300.380 0.175 10 0 DCAERN Cc1cccn2c1ncc(C(=O)N[C@H](C(N)=O)C(C)C)c2=O ZINC000091049129 158106064 /nfs/dbraw/zinc/10/60/64/158106064.db2.gz GIWCFRVCMGMSJS-NSHDSACASA-N 0 0 302.334 0.243 10 0 DCAERN CC[C@H](CSC)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000091151044 158106211 /nfs/dbraw/zinc/10/62/11/158106211.db2.gz QPZOCRBYWRDBHJ-SNVBAGLBSA-N 0 0 323.422 0.730 10 0 DCAERN Cc1noc(CCNC(=O)c2cnc3c(C)cccn3c2=O)n1 ZINC000091040748 158107002 /nfs/dbraw/zinc/10/70/02/158107002.db2.gz LMLXRNBQCBYWLT-UHFFFAOYSA-N 0 0 313.317 0.667 10 0 DCAERN Cc1cccn2c1ncc(C(=O)NCc1nccc(N)n1)c2=O ZINC000091248805 158107682 /nfs/dbraw/zinc/10/76/82/158107682.db2.gz IVMRGOJVXXFPEE-UHFFFAOYSA-N 0 0 310.317 0.305 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2c[nH]cn2)CC1 ZINC000093077845 158118598 /nfs/dbraw/zinc/11/85/98/158118598.db2.gz KSFCRZUUCUBUTG-CYBMUJFWSA-N 0 0 305.426 0.975 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2c(C)[nH]c(=O)nc2SC)C1 ZINC000093295090 158121344 /nfs/dbraw/zinc/12/13/44/158121344.db2.gz YGIVVWLLEBGBQX-MRVPVSSYSA-N 0 0 311.363 0.848 10 0 DCAERN CC1CCC(NS(=O)(=O)CC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000109285419 158136744 /nfs/dbraw/zinc/13/67/44/158136744.db2.gz QRJOKLXNCNKDHL-WXRRBKDZSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)n(C)n1 ZINC000109923734 158138075 /nfs/dbraw/zinc/13/80/75/158138075.db2.gz YVAQXZMDZMKRJP-UHFFFAOYSA-N 0 0 318.381 0.768 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnc(C)cn3)CC2)no1 ZINC000109923371 158138433 /nfs/dbraw/zinc/13/84/33/158138433.db2.gz VNJSFCLGXMBGNL-UHFFFAOYSA-N 0 0 316.365 0.825 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000109341690 158138513 /nfs/dbraw/zinc/13/85/13/158138513.db2.gz BCYNLXOPLNWSBT-ZDUSSCGKSA-N 0 0 302.371 0.576 10 0 DCAERN CCOC(=O)N[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000112647432 158142449 /nfs/dbraw/zinc/14/24/49/158142449.db2.gz BSQITQRXEZWOIG-CMPLNLGQSA-N 0 0 309.370 0.480 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000113367673 158145961 /nfs/dbraw/zinc/14/59/61/158145961.db2.gz NGTBEVUEVAEIOV-SECBINFHSA-N 0 0 323.374 0.476 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NC1CCC1)CO2 ZINC000113650606 158149277 /nfs/dbraw/zinc/14/92/77/158149277.db2.gz DOQNYBTXRRKIEV-SNVBAGLBSA-N 0 0 310.375 0.554 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114742057 158155871 /nfs/dbraw/zinc/15/58/71/158155871.db2.gz MJGRVGHJQVRQBL-LLVKDONJSA-N 0 0 317.436 0.900 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(C)nn(C)c1C)CC2 ZINC000114863110 158157677 /nfs/dbraw/zinc/15/76/77/158157677.db2.gz QESOLAOVDTTWRX-LLVKDONJSA-N 0 0 302.382 0.936 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)CC2 ZINC000114865304 158158988 /nfs/dbraw/zinc/15/89/88/158158988.db2.gz QRJBNVBXSISEGW-MNOVXSKESA-N 0 0 323.422 0.193 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1c(C)n[nH]c1C)CC2 ZINC000114897998 158159056 /nfs/dbraw/zinc/15/90/56/158159056.db2.gz FBUHFQAIBPXKFA-LLVKDONJSA-N 0 0 302.382 0.854 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(C)nn(C)c1OC)CC2 ZINC000114870695 158159111 /nfs/dbraw/zinc/15/91/11/158159111.db2.gz SMROGAWNZZOOEA-SNVBAGLBSA-N 0 0 318.381 0.636 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CC2 ZINC000114869892 158159365 /nfs/dbraw/zinc/15/93/65/158159365.db2.gz FSJCSMASFYDILF-MNOVXSKESA-N 0 0 305.382 0.140 10 0 DCAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@@H]1c1ccco1 ZINC000116040377 158163358 /nfs/dbraw/zinc/16/33/58/158163358.db2.gz WILDAWBNPXEXDS-GFCCVEGCSA-N 0 0 312.391 0.674 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CCSc3nnnn3C)C2)cn1 ZINC000116124215 158164943 /nfs/dbraw/zinc/16/49/43/158164943.db2.gz DONFNRRVAQIICS-JTQLQIEISA-N 0 0 321.410 0.442 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000116830890 158167694 /nfs/dbraw/zinc/16/76/94/158167694.db2.gz SGQPHMPBMCSHRZ-NEPJUHHUSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891795 158168319 /nfs/dbraw/zinc/16/83/19/158168319.db2.gz TUWSSFBFYVBXSG-AAEUAGOBSA-N 0 0 317.455 0.447 10 0 DCAERN CC(C)CCNC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892122 158168766 /nfs/dbraw/zinc/16/87/66/158168766.db2.gz KPRFRQJIEYVZMM-NEPJUHHUSA-N 0 0 305.444 0.161 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC000117285845 158170760 /nfs/dbraw/zinc/17/07/60/158170760.db2.gz WBBKAFLFZCJXPJ-SNVBAGLBSA-N 0 0 310.354 0.101 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)[C@@H](C)COC)C1 ZINC000117919556 158174401 /nfs/dbraw/zinc/17/44/01/158174401.db2.gz QJVSFCKTFQQZSW-NWDGAFQWSA-N 0 0 316.427 0.842 10 0 DCAERN O=C(Cc1ccoc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000119476918 158187694 /nfs/dbraw/zinc/18/76/94/158187694.db2.gz LQFMMTCOTMYZNX-CQSZACIVSA-N 0 0 306.362 0.920 10 0 DCAERN CNC(=O)Cc1nc(CN(C)C2(C(N)=O)CCCC2)cs1 ZINC000120152239 158194481 /nfs/dbraw/zinc/19/44/81/158194481.db2.gz PJDUFUMLGXATNO-UHFFFAOYSA-N 0 0 310.423 0.662 10 0 DCAERN CN(C)C(=O)CCCS(=O)(=O)CC(=O)NC1CCCCC1 ZINC000120429406 158198339 /nfs/dbraw/zinc/19/83/39/158198339.db2.gz IECVSWSINUQBBV-UHFFFAOYSA-N 0 0 318.439 0.719 10 0 DCAERN CN1CC[C@H](CNC(=O)NCC2(CO)COC2)c2ccccc21 ZINC000120960440 158204887 /nfs/dbraw/zinc/20/48/87/158204887.db2.gz TWTOMVPEWYNYRN-CYBMUJFWSA-N 0 0 319.405 0.918 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000120885107 158205266 /nfs/dbraw/zinc/20/52/66/158205266.db2.gz SCNKGGLVEAKTDG-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)no1 ZINC000121020989 158206334 /nfs/dbraw/zinc/20/63/34/158206334.db2.gz MGEFCIZGLZGVFW-SNVBAGLBSA-N 0 0 320.328 0.990 10 0 DCAERN CCOc1ccc(CN2CCN(C(=O)CC(=O)NC)CC2)cc1 ZINC000121249044 158209649 /nfs/dbraw/zinc/20/96/49/158209649.db2.gz KZOPSIOVHXINCO-UHFFFAOYSA-N 0 0 319.405 0.866 10 0 DCAERN Cc1noc(COCC(=O)N2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000121427767 158210700 /nfs/dbraw/zinc/21/07/00/158210700.db2.gz ZNYPRAPHRHAENC-CYBMUJFWSA-N 0 0 318.333 0.970 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)C[C@@H](C)O1 ZINC000121684506 158213224 /nfs/dbraw/zinc/21/32/24/158213224.db2.gz DXYCCYPTGSMQTP-VXGBXAGGSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H](C)CCO ZINC000121819787 158215141 /nfs/dbraw/zinc/21/51/41/158215141.db2.gz VTAUMSGUHQZNCM-NWDGAFQWSA-N 0 0 318.377 0.855 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121796817 158215450 /nfs/dbraw/zinc/21/54/50/158215450.db2.gz MQCNSLCABQMFGF-LLVKDONJSA-N 0 0 304.412 0.184 10 0 DCAERN CC1(CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC000122175339 158218748 /nfs/dbraw/zinc/21/87/48/158218748.db2.gz YLDJUKIIBMCWIT-NSHDSACASA-N 0 0 303.428 0.757 10 0 DCAERN C[C@@H]1Cc2cc(C(=O)N3CC(CO)C3)ccc2N1S(C)(=O)=O ZINC000122375831 158220822 /nfs/dbraw/zinc/22/08/22/158220822.db2.gz DZQIWLPAWCZOAY-SNVBAGLBSA-N 0 0 324.402 0.462 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122381865 158221134 /nfs/dbraw/zinc/22/11/34/158221134.db2.gz XXNMBFNQSXHQAF-LBPRGKRZSA-N 0 0 324.402 0.887 10 0 DCAERN CCC1(CO)CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000122555794 158221624 /nfs/dbraw/zinc/22/16/24/158221624.db2.gz VZHRQDNNJOTEER-CHWSQXEVSA-N 0 0 320.455 0.825 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000122662757 158222753 /nfs/dbraw/zinc/22/27/53/158222753.db2.gz CAUKICVDXSMWII-NWDGAFQWSA-N 0 0 311.407 0.920 10 0 DCAERN COCCN(CCOC)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000122748633 158224157 /nfs/dbraw/zinc/22/41/57/158224157.db2.gz YYQCKLGZRONPCO-UHFFFAOYSA-N 0 0 305.334 0.658 10 0 DCAERN NC(=O)C1([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCC1 ZINC000123032902 158226235 /nfs/dbraw/zinc/22/62/35/158226235.db2.gz WGDXZNRTDWHOTI-KGLIPLIRSA-N 0 0 323.437 0.934 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000123199204 158227424 /nfs/dbraw/zinc/22/74/24/158227424.db2.gz KSAWVTDYXDMXFX-QWRGUYRKSA-N 0 0 310.441 0.130 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)cn1 ZINC000123279198 158227899 /nfs/dbraw/zinc/22/78/99/158227899.db2.gz QPJKITPYBUFOTN-UHFFFAOYSA-N 0 0 306.347 0.958 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000123817477 158234268 /nfs/dbraw/zinc/23/42/68/158234268.db2.gz PAQJOXIWJUVMGG-TZMCWYRMSA-N 0 0 318.373 0.980 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@H]2C1 ZINC000124349598 158241509 /nfs/dbraw/zinc/24/15/09/158241509.db2.gz NLCBFBZPHLFTJS-FRRDWIJNSA-N 0 0 321.377 0.795 10 0 DCAERN CC[C@H]1CN(C(=O)NCC(=O)N(C)C)CCN1CC(F)F ZINC000124461920 158242014 /nfs/dbraw/zinc/24/20/14/158242014.db2.gz QYIQTXUGRBVEQG-JTQLQIEISA-N 0 0 306.357 0.446 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000124529891 158243721 /nfs/dbraw/zinc/24/37/21/158243721.db2.gz OCONGETVUDGWMA-SKDRFNHKSA-N 0 0 308.382 0.528 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H](N3CCOCC3)C2)[nH]n1 ZINC000124822429 158248293 /nfs/dbraw/zinc/24/82/93/158248293.db2.gz XJUPSPQDIHZUDL-IUODEOHRSA-N 0 0 321.425 0.765 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000125265267 158253705 /nfs/dbraw/zinc/25/37/05/158253705.db2.gz YJZBGWGMVWPIRM-RYUDHWBXSA-N 0 0 317.411 0.142 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCN1CC(F)F ZINC000125396536 158255499 /nfs/dbraw/zinc/25/54/99/158255499.db2.gz PTUFVLDYZGBNAG-RYUDHWBXSA-N 0 0 305.369 0.505 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126172234 158261627 /nfs/dbraw/zinc/26/16/27/158261627.db2.gz ZTJMNPORXLJGNO-GFCCVEGCSA-N 0 0 318.385 0.327 10 0 DCAERN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCNC(=O)CC2)c1 ZINC000126185590 158263834 /nfs/dbraw/zinc/26/38/34/158263834.db2.gz DDMKAKIENZSHOM-LLVKDONJSA-N 0 0 318.377 0.195 10 0 DCAERN C[C@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126688224 158267656 /nfs/dbraw/zinc/26/76/56/158267656.db2.gz IKESDAABLPMOBC-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000127407496 158272633 /nfs/dbraw/zinc/27/26/33/158272633.db2.gz UXYVMQHUKVNAQP-DZGCQCFKSA-N 0 0 309.410 0.224 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCO[C@@H]1CCOC1 ZINC000127350341 158272919 /nfs/dbraw/zinc/27/29/19/158272919.db2.gz DCTMJJRQOVITHP-CHWSQXEVSA-N 0 0 323.397 0.916 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)n(C)n1 ZINC000128319865 158280311 /nfs/dbraw/zinc/28/03/11/158280311.db2.gz KSXBPHSVJUHTBN-GFCCVEGCSA-N 0 0 323.397 0.740 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1cn(-c2ccccc2)nn1 ZINC000128817760 158283311 /nfs/dbraw/zinc/28/33/11/158283311.db2.gz FXVJHZCKIXRXPG-JTQLQIEISA-N 0 0 310.317 0.842 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ccccc2n1 ZINC000129105429 158285773 /nfs/dbraw/zinc/28/57/73/158285773.db2.gz XCPDUQOTNFAIRK-AWEZNQCLSA-N 0 0 315.373 0.658 10 0 DCAERN O=C(CCc1ccccc1O)NC[C@@H](O)CN1CCOCC1 ZINC000129113334 158286649 /nfs/dbraw/zinc/28/66/49/158286649.db2.gz IDYSUFRCDORJHX-CQSZACIVSA-N 0 0 308.378 0.134 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000129496393 158290273 /nfs/dbraw/zinc/29/02/73/158290273.db2.gz MNLZAPMSCWGSOC-LLVKDONJSA-N 0 0 305.444 0.715 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)C1(C(=O)N[C@@H]2CCO[C@@H]2C)CCC1 ZINC000129992770 158291914 /nfs/dbraw/zinc/29/19/14/158291914.db2.gz HDWMTVHNFAMGOL-FDYHWXHSSA-N 0 0 310.394 0.744 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)NC[C@H](C)O)n1 ZINC000129892877 158292134 /nfs/dbraw/zinc/29/21/34/158292134.db2.gz SDKHWRPDOCMYEE-NSHDSACASA-N 0 0 302.334 0.616 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000130736683 158298020 /nfs/dbraw/zinc/29/80/20/158298020.db2.gz PPXXKPGFGGVTGR-ZDUSSCGKSA-N 0 0 322.409 0.805 10 0 DCAERN COC(=O)C1(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000132790745 158314144 /nfs/dbraw/zinc/31/41/44/158314144.db2.gz ZCPQJOWRLAPOJQ-LBPRGKRZSA-N 0 0 318.377 0.857 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000133526444 158320490 /nfs/dbraw/zinc/32/04/90/158320490.db2.gz HWHRONKZXRFKJE-CYBMUJFWSA-N 0 0 303.318 0.931 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)nn1 ZINC000133516867 158320571 /nfs/dbraw/zinc/32/05/71/158320571.db2.gz GMXDBOFZYLRPKV-SNVBAGLBSA-N 0 0 316.365 0.945 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133887095 158322923 /nfs/dbraw/zinc/32/29/23/158322923.db2.gz KSHNIRNKTVQNNQ-SNVBAGLBSA-N 0 0 314.411 0.267 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccn(C)c(=O)c1)CC2 ZINC000134025279 158323043 /nfs/dbraw/zinc/32/30/43/158323043.db2.gz UTNGIGPGVLCOEX-GFCCVEGCSA-N 0 0 315.377 0.845 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)s1 ZINC000134044639 158323919 /nfs/dbraw/zinc/32/39/19/158323919.db2.gz QXGCIZKDZXURQK-JTQLQIEISA-N 0 0 309.391 0.735 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000135357721 158335917 /nfs/dbraw/zinc/33/59/17/158335917.db2.gz WJXXHQJZMRCYEU-UHFFFAOYSA-N 0 0 300.384 0.055 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135351769 158336034 /nfs/dbraw/zinc/33/60/34/158336034.db2.gz IGOXGMYRLINPKP-GHMZBOCLSA-N 0 0 305.382 0.660 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000135499605 158337363 /nfs/dbraw/zinc/33/73/63/158337363.db2.gz WXFNTYGGXCBDSK-MNOVXSKESA-N 0 0 314.411 0.601 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135752054 158340101 /nfs/dbraw/zinc/34/01/01/158340101.db2.gz ZJPDBTHIMAZEGA-QWHCGFSZSA-N 0 0 306.366 0.754 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)C2=NN(C)C(=O)CC2)n(C)n1 ZINC000135758472 158340358 /nfs/dbraw/zinc/34/03/58/158340358.db2.gz KPFWJXAMHIWANE-UHFFFAOYSA-N 0 0 315.337 0.367 10 0 DCAERN Cc1c(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000136546185 158342735 /nfs/dbraw/zinc/34/27/35/158342735.db2.gz UGEXPZUJKRGQHM-XJKSGUPXSA-N 0 0 320.437 0.840 10 0 DCAERN Cc1c(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cnn1C ZINC000136546326 158342777 /nfs/dbraw/zinc/34/27/77/158342777.db2.gz UGEXPZUJKRGQHM-CJNGLKHVSA-N 0 0 320.437 0.840 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCCN(C2CC2)CC1 ZINC000148922733 158348041 /nfs/dbraw/zinc/34/80/41/158348041.db2.gz ROBHRCQYFLFJFO-UHFFFAOYSA-N 0 0 302.440 0.754 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@H]3COCCN3)CC2)n1 ZINC000169023084 158372499 /nfs/dbraw/zinc/37/24/99/158372499.db2.gz LUHATKSXAYQCHC-CQSZACIVSA-N 0 0 304.394 0.463 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000171371199 158382434 /nfs/dbraw/zinc/38/24/34/158382434.db2.gz XDYPXJBNCVIZBF-RYUDHWBXSA-N 0 0 300.318 0.693 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(OC)c1 ZINC000172200320 158392388 /nfs/dbraw/zinc/39/23/88/158392388.db2.gz SUBBJGLKTKGLDZ-ZDUSSCGKSA-N 0 0 312.391 0.735 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172365784 158393866 /nfs/dbraw/zinc/39/38/66/158393866.db2.gz BVZXEEOALCIHFW-HBBFGDNQSA-N 0 0 318.373 0.784 10 0 DCAERN CC[C@H](NC(=O)NCCNS(=O)(=O)CC)c1nccs1 ZINC000172376800 158394189 /nfs/dbraw/zinc/39/41/89/158394189.db2.gz NGRIJHXMWJGDAE-VIFPVBQESA-N 0 0 320.440 0.833 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)CCS1(=O)=O ZINC000172375337 158394286 /nfs/dbraw/zinc/39/42/86/158394286.db2.gz VKWFDJBQRDNJQQ-GFCCVEGCSA-N 0 0 316.423 0.425 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000172439826 158394793 /nfs/dbraw/zinc/39/47/93/158394793.db2.gz IKWHEFIHZPEPON-IHRRRGAJSA-N 0 0 309.410 0.842 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172542078 158395907 /nfs/dbraw/zinc/39/59/07/158395907.db2.gz ZZISAPLVQLNCOL-WCQYABFASA-N 0 0 319.409 0.991 10 0 DCAERN COc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1C ZINC000172635435 158397522 /nfs/dbraw/zinc/39/75/22/158397522.db2.gz MNYKPENCTOIPQE-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN C[C@H](NC(=O)CN1CCS(=O)(=O)C[C@@H]1C)c1ccccc1 ZINC000172633989 158397668 /nfs/dbraw/zinc/39/76/68/158397668.db2.gz PHWAZLNBTDXOIW-STQMWFEESA-N 0 0 310.419 0.983 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000172766203 158399963 /nfs/dbraw/zinc/39/99/63/158399963.db2.gz PHQPNFNROLRITD-HUUCEWRRSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767612 158399996 /nfs/dbraw/zinc/39/99/96/158399996.db2.gz FHOXAAMGFIHIFY-OCCSQVGLSA-N 0 0 321.377 0.331 10 0 DCAERN COCC[C@](C)(O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000174928903 158421844 /nfs/dbraw/zinc/42/18/44/158421844.db2.gz WXPLSSYPBOKQBF-KRWDZBQOSA-N 0 0 318.373 0.905 10 0 DCAERN CNS(=O)(=O)CC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000175197148 158425140 /nfs/dbraw/zinc/42/51/40/158425140.db2.gz NGQOGTGOCVWEPT-NSHDSACASA-N 0 0 311.407 0.276 10 0 DCAERN O=C(c1coc(Br)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176261619 158435001 /nfs/dbraw/zinc/43/50/01/158435001.db2.gz CXXDQEFHSPDGMK-MRVPVSSYSA-N 0 0 314.139 0.892 10 0 DCAERN C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177671305 158449097 /nfs/dbraw/zinc/44/90/97/158449097.db2.gz QWKXPJGTUUTXDZ-JGVFFNPUSA-N 0 0 318.376 0.627 10 0 DCAERN Nc1cccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000178362506 158457382 /nfs/dbraw/zinc/45/73/82/158457382.db2.gz KLRJNJQVHWTLRM-AWEZNQCLSA-N 0 0 317.389 0.980 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000179206751 158469236 /nfs/dbraw/zinc/46/92/36/158469236.db2.gz ZDNMPRFLPOWVDV-RTXFEEFZSA-N 0 0 318.377 0.741 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000181422889 158484963 /nfs/dbraw/zinc/48/49/63/158484963.db2.gz LMPYGHZOLGPQAT-GFCCVEGCSA-N 0 0 323.736 0.789 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184380254 158507734 /nfs/dbraw/zinc/50/77/34/158507734.db2.gz LEKGQENHINCHNX-GXSJLCMTSA-N 0 0 303.362 0.978 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2sccc2OC(F)F)C1 ZINC000185232192 158517416 /nfs/dbraw/zinc/51/74/16/158517416.db2.gz LJEASVXWTCRUBG-UHFFFAOYSA-N 0 0 320.317 0.937 10 0 DCAERN CNC(=O)CC(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000185928202 158526095 /nfs/dbraw/zinc/52/60/95/158526095.db2.gz WSEKUTUVWKRDGU-UHFFFAOYSA-N 0 0 303.362 0.561 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000187866883 158541324 /nfs/dbraw/zinc/54/13/24/158541324.db2.gz VYFDYHYYQCISJL-JTQLQIEISA-N 0 0 301.368 0.675 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCCC(N)=O ZINC000187968328 158542144 /nfs/dbraw/zinc/54/21/44/158542144.db2.gz WJUANGHKCOVOAP-UHFFFAOYSA-N 0 0 315.333 0.111 10 0 DCAERN COCCCN(CCO)C(=O)CNC(=O)c1ccccc1C ZINC000189033368 158549839 /nfs/dbraw/zinc/54/98/39/158549839.db2.gz YCVVUXDSENZEJI-UHFFFAOYSA-N 0 0 308.378 0.582 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189703451 158554306 /nfs/dbraw/zinc/55/43/06/158554306.db2.gz DIUDKXIRPURIQF-SNVBAGLBSA-N 0 0 317.353 0.651 10 0 DCAERN CCN1CN(C(=O)CCCNC(=O)c2cccnc2)CC1=O ZINC000190528340 158560631 /nfs/dbraw/zinc/56/06/31/158560631.db2.gz ZIAAFFQZKPKODI-UHFFFAOYSA-N 0 0 304.350 0.240 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000192055631 158573737 /nfs/dbraw/zinc/57/37/37/158573737.db2.gz QJHXMUTXXHKPIM-HUUCEWRRSA-N 0 0 318.373 0.734 10 0 DCAERN C[C@H](NC(=O)c1cnn2ccncc12)[C@H](C)N1CCOCC1 ZINC000193171205 158580973 /nfs/dbraw/zinc/58/09/73/158580973.db2.gz DDVUOSNXZHCJLF-RYUDHWBXSA-N 0 0 303.366 0.568 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)c1ccccc1C ZINC000194331178 158596360 /nfs/dbraw/zinc/59/63/60/158596360.db2.gz FAXRXTHSXXDOLT-AWEZNQCLSA-N 0 0 317.389 0.852 10 0 DCAERN CCCOCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000222241265 158615777 /nfs/dbraw/zinc/61/57/77/158615777.db2.gz QFTBOLZTSMFMGD-JTQLQIEISA-N 0 0 300.380 0.938 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 ZINC000228595076 158621188 /nfs/dbraw/zinc/62/11/88/158621188.db2.gz SEPPROHJDPXOLX-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246809246 158672029 /nfs/dbraw/zinc/67/20/29/158672029.db2.gz ZOFBUSKDWHFRDX-OLZOCXBDSA-N 0 0 317.411 0.257 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000249731332 158709999 /nfs/dbraw/zinc/70/99/99/158709999.db2.gz AIUQLJYNBGZBND-GARJFASQSA-N 0 0 307.350 0.510 10 0 DCAERN C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000327960106 159013668 /nfs/dbraw/zinc/01/36/68/159013668.db2.gz CHSMPORIVYORJG-KWQFWETISA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ncn(C)n1 ZINC000328620481 159015607 /nfs/dbraw/zinc/01/56/07/159015607.db2.gz WWXYEVUHOQFIRM-RWMBFGLXSA-N 0 0 307.398 0.636 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000328657483 159017611 /nfs/dbraw/zinc/01/76/11/159017611.db2.gz PBWPGPRMPZAMDB-GJZGRUSLSA-N 0 0 322.430 0.906 10 0 DCAERN Cc1noc([C@@H](C)N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669553 159019483 /nfs/dbraw/zinc/01/94/83/159019483.db2.gz MBUUGFJJMLDBMN-BXUZGUMPSA-N 0 0 319.409 0.820 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000328708474 159023540 /nfs/dbraw/zinc/02/35/40/159023540.db2.gz QKFAFQIEUGOENG-QWRGUYRKSA-N 0 0 317.411 0.235 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328728768 159024799 /nfs/dbraw/zinc/02/47/99/159024799.db2.gz HAGALURJGQVBEI-AOOOYVTPSA-N 0 0 313.331 0.204 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875894 159037250 /nfs/dbraw/zinc/03/72/50/159037250.db2.gz JYDWMVZKDHHWGB-QWHCGFSZSA-N 0 0 307.398 0.578 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)[C@H]3CCCCN3C2=O)C1 ZINC000328886608 159037940 /nfs/dbraw/zinc/03/79/40/159037940.db2.gz OBBBQYZCTHGOMG-WDEREUQCSA-N 0 0 322.365 0.577 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@@H]21 ZINC000328914434 159040823 /nfs/dbraw/zinc/04/08/23/159040823.db2.gz QEGMQEKWAWNOMG-SOUVJXGZSA-N 0 0 312.410 0.504 10 0 DCAERN C[C@H](C(=O)Nc1ccnn1C[C@@H]1CCOC1)N1CCOCC1 ZINC000328942074 159044920 /nfs/dbraw/zinc/04/49/20/159044920.db2.gz IJVGWRMYOITEDE-OLZOCXBDSA-N 0 0 308.382 0.579 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)[C@@H]2C[C@H](OC)CN2C)C1 ZINC000329003074 159051109 /nfs/dbraw/zinc/05/11/09/159051109.db2.gz HJDNXNXYTWMXIF-RNJOBUHISA-N 0 0 323.397 0.121 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000329036264 159053613 /nfs/dbraw/zinc/05/36/13/159053613.db2.gz RGRFGJVIFOTOQZ-RFGFWPKPSA-N 0 0 310.394 0.792 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CSC[C@@H]2CCCCO2)C1 ZINC000329026834 159054188 /nfs/dbraw/zinc/05/41/88/159054188.db2.gz OGYNLVYJSPPFSN-RWMBFGLXSA-N 0 0 303.424 0.897 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000329038470 159055003 /nfs/dbraw/zinc/05/50/03/159055003.db2.gz RZIVMTRUUNEVCU-VHSXEESVSA-N 0 0 307.306 0.284 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000329080644 159059093 /nfs/dbraw/zinc/05/90/93/159059093.db2.gz CSQKZNSGGHVNOM-AGIUHOORSA-N 0 0 311.382 0.392 10 0 DCAERN CS(=O)(=O)c1nnc(CN2CCO[C@H](C3CC3)C2)s1 ZINC000329167106 159069517 /nfs/dbraw/zinc/06/95/17/159069517.db2.gz ICDPDVWGIYGIGX-VIFPVBQESA-N 0 0 303.409 0.552 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CCC[C@H]1Cn1ccnn1 ZINC000329181649 159070593 /nfs/dbraw/zinc/07/05/93/159070593.db2.gz NMGSZXFFJFIHIS-NSHDSACASA-N 0 0 309.333 0.921 10 0 DCAERN O=C(NC1CCCC1)c1ccc(N2CC(n3ccnn3)C2)nn1 ZINC000329584952 159104718 /nfs/dbraw/zinc/10/47/18/159104718.db2.gz XYPAYLNVGBRLFV-UHFFFAOYSA-N 0 0 313.365 0.802 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)nc(C)n1 ZINC000329649023 159109373 /nfs/dbraw/zinc/10/93/73/159109373.db2.gz BRNIMTZJHJDXJV-CQSZACIVSA-N 0 0 304.394 0.888 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3C)CCO2)n1 ZINC000330054939 159139032 /nfs/dbraw/zinc/13/90/32/159139032.db2.gz SVCRFAOSLXYFMX-TUKIKUTGSA-N 0 0 322.409 0.937 10 0 DCAERN C[C@H](C(=O)N1CC[C@H](Oc2ccccn2)C1)N1CCOCC1 ZINC000330067507 159139526 /nfs/dbraw/zinc/13/95/26/159139526.db2.gz UMOOKPLERUFRPL-KGLIPLIRSA-N 0 0 305.378 0.782 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)[C@@H]2CCCOC2)CCC1 ZINC000330071759 159139563 /nfs/dbraw/zinc/13/95/63/159139563.db2.gz JEQXHAQWSKJUSZ-SNVBAGLBSA-N 0 0 311.425 0.052 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1cnnn1C)CCC2 ZINC000330162682 159147258 /nfs/dbraw/zinc/14/72/58/159147258.db2.gz SJWVGHITLWOABL-SNVBAGLBSA-N 0 0 310.383 0.176 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@]2(OC)CCOC2)C1 ZINC000330186130 159148599 /nfs/dbraw/zinc/14/85/99/159148599.db2.gz JOVHYZDBOQXAMI-JTNHKYCSSA-N 0 0 311.338 0.472 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000330208640 159150454 /nfs/dbraw/zinc/15/04/54/159150454.db2.gz GXEJMCMWSDXZMZ-OUCADQQQSA-N 0 0 309.366 0.372 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cn2ccccc2=O)C1 ZINC000330219575 159151530 /nfs/dbraw/zinc/15/15/30/159151530.db2.gz PPEHVZDLZWVMRW-NEPJUHHUSA-N 0 0 318.333 0.528 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000332727103 159210911 /nfs/dbraw/zinc/21/09/11/159210911.db2.gz RNVQJWKLBXWRDO-VXGBXAGGSA-N 0 0 305.382 0.681 10 0 DCAERN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)[C@@H](O)Cc1ccccc1 ZINC000332804664 159213265 /nfs/dbraw/zinc/21/32/65/159213265.db2.gz NNSFJQFYBBEGBQ-YCPHGPKFSA-N 0 0 302.374 0.763 10 0 DCAERN CN1CC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1=O ZINC000332889857 159216142 /nfs/dbraw/zinc/21/61/42/159216142.db2.gz DBWJHQBDYAOSQQ-MNOVXSKESA-N 0 0 311.407 0.035 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000332931556 159217291 /nfs/dbraw/zinc/21/72/91/159217291.db2.gz WRYRTWFVCGOFDT-VXGBXAGGSA-N 0 0 305.382 0.031 10 0 DCAERN Cc1ncc(C(=O)N2CCN3CCOC[C@H]3C2)c(C2CC2)n1 ZINC000366957997 159301268 /nfs/dbraw/zinc/30/12/68/159301268.db2.gz IELDSFDCBUKOED-CYBMUJFWSA-N 0 0 302.378 0.819 10 0 DCAERN COc1cccc(C2(C(=O)N3CC[C@](O)(C(N)=O)C3)CC2)c1 ZINC000367600177 159346178 /nfs/dbraw/zinc/34/61/78/159346178.db2.gz ZQLWNNVPOAMKGC-MRXNPFEDSA-N 0 0 304.346 0.176 10 0 DCAERN COc1ncc(NC(=O)N2CCOCC[C@@H]2C)cc1C(N)=O ZINC000367630155 159347403 /nfs/dbraw/zinc/34/74/03/159347403.db2.gz DRLJJDODRWKTSL-VIFPVBQESA-N 0 0 308.338 0.832 10 0 DCAERN C[C@@H](NC(=O)CN1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662228 159349277 /nfs/dbraw/zinc/34/92/77/159349277.db2.gz NRYAWTVPHWJARA-ZIAGYGMSSA-N 0 0 311.426 0.614 10 0 DCAERN COCCC1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCC1 ZINC000368293213 159386044 /nfs/dbraw/zinc/38/60/44/159386044.db2.gz GXBUKUIHRIWHBA-CQSZACIVSA-N 0 0 311.426 0.919 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc[nH]c1=O ZINC000369991406 159491559 /nfs/dbraw/zinc/49/15/59/159491559.db2.gz QNXCTMMJURNAQZ-LBPRGKRZSA-N 0 0 305.334 0.297 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000371870632 159592030 /nfs/dbraw/zinc/59/20/30/159592030.db2.gz RNRYUWCIAZOAPF-LBPRGKRZSA-N 0 0 321.377 0.575 10 0 DCAERN O=C(CN1CCCCC1=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374793891 159752036 /nfs/dbraw/zinc/75/20/36/159752036.db2.gz MXWYEXKILSRBCL-CZUORRHYSA-N 0 0 324.421 0.683 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000375310238 159784094 /nfs/dbraw/zinc/78/40/94/159784094.db2.gz QUOOEIRZBTZHNP-SECBINFHSA-N 0 0 309.338 0.948 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)NCc1nnc3ccccn31)CC2 ZINC000376748501 159874771 /nfs/dbraw/zinc/87/47/71/159874771.db2.gz BHBGWKUDXILUES-NSHDSACASA-N 0 0 310.361 0.884 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000407955252 159996608 /nfs/dbraw/zinc/99/66/08/159996608.db2.gz QRDLCZKLYTXWLZ-WRWGMCAJSA-N 0 0 319.427 0.262 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000407972555 159999877 /nfs/dbraw/zinc/99/98/77/159999877.db2.gz USHVLWUBMQIYSE-GFCCVEGCSA-N 0 0 324.425 0.506 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000407974401 160000879 /nfs/dbraw/zinc/00/08/79/160000879.db2.gz ALPXTZYPMDVMCF-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)CS(=O)(=O)N(C)C)C2)[nH]n1 ZINC000407980431 160001494 /nfs/dbraw/zinc/00/14/94/160001494.db2.gz ISQNVOVGVJHACI-LLVKDONJSA-N 0 0 314.411 0.316 10 0 DCAERN C[C@H]1C[NH+](CC2CCN(C(=O)CNC(N)=O)CC2)C[C@H](C)O1 ZINC000407988968 160004514 /nfs/dbraw/zinc/00/45/14/160004514.db2.gz IQWDATCCZVZSGI-RYUDHWBXSA-N 0 0 312.414 0.003 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000407991050 160004980 /nfs/dbraw/zinc/00/49/80/160004980.db2.gz SOFWZNJGDXBVLY-KFWWJZLASA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000407995644 160006180 /nfs/dbraw/zinc/00/61/80/160006180.db2.gz LMJOCJFOQKSCRV-JTQLQIEISA-N 0 0 315.395 0.306 10 0 DCAERN C[C@@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000407999955 160006823 /nfs/dbraw/zinc/00/68/23/160006823.db2.gz YFPZZBCJDCZVJV-PWSUYJOCSA-N 0 0 304.412 0.199 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(=O)[nH]2)CC1 ZINC000407997804 160007005 /nfs/dbraw/zinc/00/70/05/160007005.db2.gz KDQSKCVZAVYEPL-UHFFFAOYSA-N 0 0 313.379 0.203 10 0 DCAERN O=C(c1cncc(N2CCOCC2)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000408006437 160009152 /nfs/dbraw/zinc/00/91/52/160009152.db2.gz ZZJRMSKUUCXCRM-GASCZTMLSA-N 0 0 303.362 0.922 10 0 DCAERN Cn1cnc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000408008382 160009729 /nfs/dbraw/zinc/00/97/29/160009729.db2.gz NUOLURMKDPWYPE-GFCCVEGCSA-N 0 0 306.366 0.131 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000408018093 160013408 /nfs/dbraw/zinc/01/34/08/160013408.db2.gz XUZHLZFJGVDQMA-FRRDWIJNSA-N 0 0 322.471 0.853 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000408021860 160013570 /nfs/dbraw/zinc/01/35/70/160013570.db2.gz JRCSFFVWTWOAFX-NEPJUHHUSA-N 0 0 311.382 0.054 10 0 DCAERN Cc1cc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)n(C)n1 ZINC000408022164 160013598 /nfs/dbraw/zinc/01/35/98/160013598.db2.gz KNZNJGQIHRPLBZ-HNNXBMFYSA-N 0 0 305.382 0.540 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408025253 160015078 /nfs/dbraw/zinc/01/50/78/160015078.db2.gz AMBVGITYDODFLD-FRRDWIJNSA-N 0 0 306.428 0.699 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000408031456 160016309 /nfs/dbraw/zinc/01/63/09/160016309.db2.gz UOVZLIDBLZICHS-KGLIPLIRSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1noc([C@H]2CN([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033904 160017315 /nfs/dbraw/zinc/01/73/15/160017315.db2.gz BRYFNSFKYZJFCU-ZYHUDNBSSA-N 0 0 309.414 0.970 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3COCCN3C)CC2)oc1C ZINC000408034528 160017775 /nfs/dbraw/zinc/01/77/75/160017775.db2.gz GCMZNEOSEZMIRU-CQSZACIVSA-N 0 0 322.409 0.266 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCSC3)C2)c1=O ZINC000408036272 160018930 /nfs/dbraw/zinc/01/89/30/160018930.db2.gz QVSVKTFJZOXXOJ-NEPJUHHUSA-N 0 0 322.434 0.618 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCCCO1)N1CCOCC1 ZINC000408050790 160023320 /nfs/dbraw/zinc/02/33/20/160023320.db2.gz FXEARJLYQBSOIC-AGIUHOORSA-N 0 0 314.357 0.353 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)O1 ZINC000408052045 160023407 /nfs/dbraw/zinc/02/34/07/160023407.db2.gz KJEYORBKADFGPR-QNWHQSFQSA-N 0 0 314.357 0.352 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cnn1 ZINC000408051871 160023555 /nfs/dbraw/zinc/02/35/55/160023555.db2.gz JMRIBTJUORGCMO-OLZOCXBDSA-N 0 0 322.340 0.196 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2cnc3onc(C)c3c2)C1 ZINC000408049834 160023794 /nfs/dbraw/zinc/02/37/94/160023794.db2.gz FMHDLMKJAGPCGU-HNNXBMFYSA-N 0 0 318.333 0.843 10 0 DCAERN CCc1nnc(C)cc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408049686 160023840 /nfs/dbraw/zinc/02/38/40/160023840.db2.gz CWJWKNRASPHKJC-OLZOCXBDSA-N 0 0 303.366 0.586 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408054155 160024320 /nfs/dbraw/zinc/02/43/20/160024320.db2.gz KNAPOQZJMJDXPB-AAVRWANBSA-N 0 0 323.437 0.851 10 0 DCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000408071711 160029293 /nfs/dbraw/zinc/02/92/93/160029293.db2.gz DKOFMGKOCXBKDQ-STQMWFEESA-N 0 0 323.393 0.592 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000408077234 160031000 /nfs/dbraw/zinc/03/10/00/160031000.db2.gz VEYITEXOQOQSRS-FOGDFJRCSA-N 0 0 304.412 0.470 10 0 DCAERN CC(C)CC(=O)N1CCC(NC(=O)N2CCNC(=O)CC2)CC1 ZINC000408079671 160031261 /nfs/dbraw/zinc/03/12/61/160031261.db2.gz AKQJMFMXVCEORR-UHFFFAOYSA-N 0 0 324.425 0.555 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCCSCC2)nc1 ZINC000408080290 160031968 /nfs/dbraw/zinc/03/19/68/160031968.db2.gz MUCMXTUIJAQFNG-UHFFFAOYSA-N 0 0 301.393 0.308 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCO1 ZINC000408082784 160032083 /nfs/dbraw/zinc/03/20/83/160032083.db2.gz HJRDAIUMDHUFNX-GRYCIOLGSA-N 0 0 304.412 0.630 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)nc1 ZINC000408081214 160032093 /nfs/dbraw/zinc/03/20/93/160032093.db2.gz RKGDENOJJDBLHC-LLVKDONJSA-N 0 0 324.406 0.039 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@H]1O ZINC000408088545 160033272 /nfs/dbraw/zinc/03/32/72/160033272.db2.gz JTDXOHJGGULTNW-NQBHXWOUSA-N 0 0 315.395 0.236 10 0 DCAERN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408091578 160033486 /nfs/dbraw/zinc/03/34/86/160033486.db2.gz VGLWWPOGDLPGKS-DTWKUNHWSA-N 0 0 302.400 0.791 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@]3(C)CCCOC3)nc2n1 ZINC000408088892 160033768 /nfs/dbraw/zinc/03/37/68/160033768.db2.gz HLYQKGFPGXVDKH-OAHLLOKOSA-N 0 0 303.366 0.969 10 0 DCAERN CC[C@@H]1CC[C@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408091629 160034018 /nfs/dbraw/zinc/03/40/18/160034018.db2.gz VSGPSWOJZNVLJR-WDEREUQCSA-N 0 0 303.366 0.920 10 0 DCAERN C[C@@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@@H]1O ZINC000408093517 160034279 /nfs/dbraw/zinc/03/42/79/160034279.db2.gz CCUBDPVLRBRHBH-MFKMUULPSA-N 0 0 301.346 0.776 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1O ZINC000408095103 160034900 /nfs/dbraw/zinc/03/49/00/160034900.db2.gz XEJGJRLNECCYPZ-RISCZKNCSA-N 0 0 301.346 0.626 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)o2)CC1 ZINC000408097817 160035262 /nfs/dbraw/zinc/03/52/62/160035262.db2.gz NYAAQSKGFSAQCO-UHFFFAOYSA-N 0 0 301.368 0.624 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCC[C@@H]1CO ZINC000408104725 160036371 /nfs/dbraw/zinc/03/63/71/160036371.db2.gz MSIKIOWLMKFZQJ-IJLUTSLNSA-N 0 0 304.412 0.414 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)CCC1=O ZINC000408102822 160036686 /nfs/dbraw/zinc/03/66/86/160036686.db2.gz DELFSZFTCPEEQA-SECBINFHSA-N 0 0 323.315 0.706 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408108389 160037150 /nfs/dbraw/zinc/03/71/50/160037150.db2.gz UTCZDFNAMXISIG-BDAKNGLRSA-N 0 0 315.420 0.846 10 0 DCAERN C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CC[S@@]1=O ZINC000408109769 160037808 /nfs/dbraw/zinc/03/78/08/160037808.db2.gz HRLNGHUSYIZDDY-MGNBDDOMSA-N 0 0 302.421 0.832 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CCS1 ZINC000408112896 160038996 /nfs/dbraw/zinc/03/89/96/160038996.db2.gz QVDWDQXDGNYPHA-VIFPVBQESA-N 0 0 315.420 0.697 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000408113354 160039093 /nfs/dbraw/zinc/03/90/93/160039093.db2.gz RTZOGDDLXZPKLC-LLVKDONJSA-N 0 0 311.407 0.834 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)no1 ZINC000408112878 160039154 /nfs/dbraw/zinc/03/91/54/160039154.db2.gz QPYCTTRFGBKWHF-KOLCDFICSA-N 0 0 312.347 0.808 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408113194 160039156 /nfs/dbraw/zinc/03/91/56/160039156.db2.gz QUNVUVKAMYIZBL-JHJVBQTASA-N 0 0 307.394 0.324 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000408119571 160040180 /nfs/dbraw/zinc/04/01/80/160040180.db2.gz LFDUFRQBVNUHNV-SWLSCSKDSA-N 0 0 300.374 0.956 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](C)C1 ZINC000408118719 160040308 /nfs/dbraw/zinc/04/03/08/160040308.db2.gz WDQHVCKJMDPDDB-WDEREUQCSA-N 0 0 309.370 0.690 10 0 DCAERN CC(C)n1cnnc1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000408126361 160042723 /nfs/dbraw/zinc/04/27/23/160042723.db2.gz NEDMRAFJPHDNKO-GFCCVEGCSA-N 0 0 305.382 0.701 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000408127053 160042799 /nfs/dbraw/zinc/04/27/99/160042799.db2.gz VDJNNHZDGBUKNX-WDEREUQCSA-N 0 0 303.366 0.455 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1nccs1 ZINC000408128124 160042802 /nfs/dbraw/zinc/04/28/02/160042802.db2.gz ZYCPSJUDZXTAMS-UWVGGRQHSA-N 0 0 315.420 0.415 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408131733 160044149 /nfs/dbraw/zinc/04/41/49/160044149.db2.gz HYPGROJTHARJOG-BDAKNGLRSA-N 0 0 302.318 0.572 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408131650 160044327 /nfs/dbraw/zinc/04/43/27/160044327.db2.gz ZVBGAAIQMWWJQB-NEPJUHHUSA-N 0 0 316.423 0.281 10 0 DCAERN Cn1cc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000408136121 160045025 /nfs/dbraw/zinc/04/50/25/160045025.db2.gz BGCOWTKRRNFASO-AWEZNQCLSA-N 0 0 319.409 0.964 10 0 DCAERN C[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@@H]1CO ZINC000408139087 160046115 /nfs/dbraw/zinc/04/61/15/160046115.db2.gz NXYROSAJBJLRNZ-WCQYABFASA-N 0 0 303.424 0.963 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CCN1C[C@@H](C)O ZINC000408140227 160046131 /nfs/dbraw/zinc/04/61/31/160046131.db2.gz QRITXDBOPBHBQA-MGPQQGTHSA-N 0 0 319.471 0.350 10 0 DCAERN CN1CC[C@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@@H]2C1 ZINC000408147271 160047778 /nfs/dbraw/zinc/04/77/78/160047778.db2.gz BSBRQKVBJVQXMT-NWDGAFQWSA-N 0 0 303.428 0.157 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159872 160049637 /nfs/dbraw/zinc/04/96/37/160049637.db2.gz HCSALPGMJFSADS-MGPQQGTHSA-N 0 0 323.437 0.912 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000408160705 160049815 /nfs/dbraw/zinc/04/98/15/160049815.db2.gz JTWOELPRVBQRHJ-YIZRAAEISA-N 0 0 304.372 0.383 10 0 DCAERN C[C@H](CC1CCCCC1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000408165904 160050924 /nfs/dbraw/zinc/05/09/24/160050924.db2.gz VEFIIKIGDBBLHY-GFCCVEGCSA-N 0 0 317.455 0.941 10 0 DCAERN O=C(NCCCN1CCCCC1=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000408167470 160051983 /nfs/dbraw/zinc/05/19/83/160051983.db2.gz APLIKLRVRQOBID-CHWSQXEVSA-N 0 0 322.409 0.309 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CCOCC3(CC3)C2)c[nH]1 ZINC000408174732 160052599 /nfs/dbraw/zinc/05/25/99/160052599.db2.gz MGHMDHRBNWNXDF-UHFFFAOYSA-N 0 0 314.363 0.602 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000408183269 160053952 /nfs/dbraw/zinc/05/39/52/160053952.db2.gz PIHUKHBPBRWWLN-RYUDHWBXSA-N 0 0 314.411 0.211 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000408185826 160054962 /nfs/dbraw/zinc/05/49/62/160054962.db2.gz MZFQJMQDMRDQCL-UHFFFAOYSA-N 0 0 300.384 0.007 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000408184938 160055381 /nfs/dbraw/zinc/05/53/81/160055381.db2.gz APOBVEKQQQTSMX-NSHDSACASA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408198090 160057307 /nfs/dbraw/zinc/05/73/07/160057307.db2.gz PIODQYBQCIQGRP-WDEREUQCSA-N 0 0 316.423 0.327 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)cc12 ZINC000408198653 160058204 /nfs/dbraw/zinc/05/82/04/160058204.db2.gz ULTWJTODDOXTFJ-QMMMGPOBSA-N 0 0 308.363 0.525 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408198836 160058326 /nfs/dbraw/zinc/05/83/26/160058326.db2.gz VVGGRZNOGMVPQU-JTQLQIEISA-N 0 0 313.423 0.615 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)N1CCN(C)CC1 ZINC000408201981 160059113 /nfs/dbraw/zinc/05/91/13/160059113.db2.gz HCTGMESNFYHERY-LSDHHAIUSA-N 0 0 320.441 0.153 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408206236 160059809 /nfs/dbraw/zinc/05/98/09/160059809.db2.gz SXHDMSRUARGRRV-OLZOCXBDSA-N 0 0 324.425 0.507 10 0 DCAERN O=C(CN1CCC[C@@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215871 160062170 /nfs/dbraw/zinc/06/21/70/160062170.db2.gz AVHDZZYZGDTEDV-LBPRGKRZSA-N 0 0 310.316 0.671 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000408220021 160063284 /nfs/dbraw/zinc/06/32/84/160063284.db2.gz SDRDOKNLIANGMK-GHMZBOCLSA-N 0 0 312.395 0.363 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC(C)(CO)CC3)nc2n1 ZINC000408225618 160063996 /nfs/dbraw/zinc/06/39/96/160063996.db2.gz VHZMPKSXBVIOEV-UHFFFAOYSA-N 0 0 317.393 0.905 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3[C@H](C)C3(F)F)CC2)no1 ZINC000408230856 160064697 /nfs/dbraw/zinc/06/46/97/160064697.db2.gz DJZDCTMHDFSXKN-GZMMTYOYSA-N 0 0 300.309 0.923 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408238698 160067251 /nfs/dbraw/zinc/06/72/51/160067251.db2.gz VVBNPSLOLPDCDZ-VXGBXAGGSA-N 0 0 321.443 0.141 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252394 160069776 /nfs/dbraw/zinc/06/97/76/160069776.db2.gz QAOOJQOLUDIAMN-HNNXBMFYSA-N 0 0 310.398 0.213 10 0 DCAERN C[C@H]1COCCN1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408254763 160070528 /nfs/dbraw/zinc/07/05/28/160070528.db2.gz OWIVCRQVLYJLBH-UNXYVOJBSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)nc1C ZINC000408260060 160071396 /nfs/dbraw/zinc/07/13/96/160071396.db2.gz COAAXAPZFMOBIX-LLVKDONJSA-N 0 0 312.395 0.295 10 0 DCAERN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408272856 160073505 /nfs/dbraw/zinc/07/35/05/160073505.db2.gz KDOPONMUHKCMBV-JHJVBQTASA-N 0 0 302.440 0.752 10 0 DCAERN CNC(=O)CC1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000408278294 160075423 /nfs/dbraw/zinc/07/54/23/160075423.db2.gz DULVECOYTCHDBI-LBPRGKRZSA-N 0 0 313.423 0.283 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCCCCO2)CC1 ZINC000408287764 160076935 /nfs/dbraw/zinc/07/69/35/160076935.db2.gz SZQBOEWJAQOMRZ-UHFFFAOYSA-N 0 0 306.384 0.534 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CCCCCO2)cn1C ZINC000408285202 160077032 /nfs/dbraw/zinc/07/70/32/160077032.db2.gz DDYUGMNETSJYHV-UHFFFAOYSA-N 0 0 301.368 0.491 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408291050 160077734 /nfs/dbraw/zinc/07/77/34/160077734.db2.gz VBJBFXBBWOHSEC-LBPRGKRZSA-N 0 0 313.427 0.256 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)ccc1=O ZINC000408308015 160081349 /nfs/dbraw/zinc/08/13/49/160081349.db2.gz UKJCKMQTOJOERD-LLVKDONJSA-N 0 0 305.256 0.310 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408306941 160081594 /nfs/dbraw/zinc/08/15/94/160081594.db2.gz RNJPUYRDVMNNSA-VIFPVBQESA-N 0 0 315.370 0.249 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)ccc1=O ZINC000408306741 160081774 /nfs/dbraw/zinc/08/17/74/160081774.db2.gz QXMDERJKFBHHDB-LBPRGKRZSA-N 0 0 304.268 0.915 10 0 DCAERN C[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000408310528 160082363 /nfs/dbraw/zinc/08/23/63/160082363.db2.gz SJNVCCVLFOUBLN-GRYCIOLGSA-N 0 0 303.428 0.756 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H](C)C2CCOCC2)CCO1 ZINC000408310270 160082429 /nfs/dbraw/zinc/08/24/29/160082429.db2.gz RCLWRVBBQXEPIK-ZYHUDNBSSA-N 0 0 300.355 0.385 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408323684 160084862 /nfs/dbraw/zinc/08/48/62/160084862.db2.gz BCAPJSSAQCZZJN-UHFFFAOYSA-N 0 0 315.377 0.836 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)O1 ZINC000408321338 160084870 /nfs/dbraw/zinc/08/48/70/160084870.db2.gz SLVNAAGSVXGLEB-IJLUTSLNSA-N 0 0 304.412 0.484 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000408330837 160086227 /nfs/dbraw/zinc/08/62/27/160086227.db2.gz KQAMNIKGHMSAQW-RWMBFGLXSA-N 0 0 318.439 0.589 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H]1C(C)(C)O ZINC000408337744 160087553 /nfs/dbraw/zinc/08/75/53/160087553.db2.gz WMXJNJXGVKCZNA-GRYCIOLGSA-N 0 0 319.423 0.893 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000408354474 160090861 /nfs/dbraw/zinc/09/08/61/160090861.db2.gz HVWIYHWOBMZTFG-RYUDHWBXSA-N 0 0 310.398 0.260 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408354414 160090875 /nfs/dbraw/zinc/09/08/75/160090875.db2.gz HQQLFWTZKVBDHC-CHWSQXEVSA-N 0 0 322.409 0.261 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1n[nH]c(C)c1C ZINC000408359795 160091515 /nfs/dbraw/zinc/09/15/15/160091515.db2.gz WSNJNKVLUGAJPA-SNVBAGLBSA-N 0 0 300.384 0.180 10 0 DCAERN CCCNS(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000408361327 160092200 /nfs/dbraw/zinc/09/22/00/160092200.db2.gz FHHNWLBUZUEWTP-VHSXEESVSA-N 0 0 304.372 0.384 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)O1 ZINC000408362459 160092383 /nfs/dbraw/zinc/09/23/83/160092383.db2.gz OQFFIMGGJXFGOA-GHMZBOCLSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@H]1O ZINC000408364822 160093393 /nfs/dbraw/zinc/09/33/93/160093393.db2.gz NJFIGAWGXZSHPF-WPRPVWTQSA-N 0 0 309.338 0.540 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000408371195 160094103 /nfs/dbraw/zinc/09/41/03/160094103.db2.gz WFZSSFFPLFUHAO-VXGBXAGGSA-N 0 0 309.453 0.873 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](O)[C@H](C)C2)cccc1S(N)(=O)=O ZINC000408378987 160095203 /nfs/dbraw/zinc/09/52/03/160095203.db2.gz YCPMNCIAQBOAMS-BXKDBHETSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@@H](CO)C1)C(=O)N1CCCC[C@H]1C ZINC000408384178 160096618 /nfs/dbraw/zinc/09/66/18/160096618.db2.gz YYDLVSWENPSWLF-FRRDWIJNSA-N 0 0 313.398 0.179 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408383867 160096857 /nfs/dbraw/zinc/09/68/57/160096857.db2.gz ILYRYDKCADDTNN-MRVPVSSYSA-N 0 0 320.802 0.220 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000408401179 160100997 /nfs/dbraw/zinc/10/09/97/160100997.db2.gz ALRUPFZDDCRFAD-SFYZADRCSA-N 0 0 302.318 0.773 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000408401177 160101069 /nfs/dbraw/zinc/10/10/69/160101069.db2.gz ALRUPFZDDCRFAD-HTQZYQBOSA-N 0 0 302.318 0.773 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000408401180 160101404 /nfs/dbraw/zinc/10/14/04/160101404.db2.gz ALRUPFZDDCRFAD-YUMQZZPRSA-N 0 0 302.318 0.773 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000408408469 160103007 /nfs/dbraw/zinc/10/30/07/160103007.db2.gz VXEMRUNHFDPQAM-NEPJUHHUSA-N 0 0 320.397 0.589 10 0 DCAERN CC1(C)CCC[C@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408417109 160103492 /nfs/dbraw/zinc/10/34/92/160103492.db2.gz PRTGTEVOWIGCMO-BXUZGUMPSA-N 0 0 303.424 0.869 10 0 DCAERN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCN3C(=O)N=NC3C2)C1(C)C ZINC000408413459 160103630 /nfs/dbraw/zinc/10/36/30/160103630.db2.gz CRFKPBDMNVDVFB-MNOVXSKESA-N 0 0 306.366 0.967 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000408423481 160105210 /nfs/dbraw/zinc/10/52/10/160105210.db2.gz YRARGPGVAYJEDT-RYUDHWBXSA-N 0 0 324.468 0.566 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)cn1C ZINC000408433615 160106737 /nfs/dbraw/zinc/10/67/37/160106737.db2.gz NARWGHXWUSTCQP-SNVBAGLBSA-N 0 0 310.383 0.415 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408433111 160106856 /nfs/dbraw/zinc/10/68/56/160106856.db2.gz KKRYYVQNUWLJKP-IHRRRGAJSA-N 0 0 319.471 0.493 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408435682 160107505 /nfs/dbraw/zinc/10/75/05/160107505.db2.gz ZDCDDRIBSBUKSC-QKCSRTOESA-N 0 0 323.418 0.992 10 0 DCAERN CCS(=O)(=O)C1CCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000408437212 160107696 /nfs/dbraw/zinc/10/76/96/160107696.db2.gz RCLIKRDVJSBDKB-UHFFFAOYSA-N 0 0 324.450 0.868 10 0 DCAERN C[C@H]1CN(C(=O)C2CC(C)(O)C2)CCN1C(=O)C1CC(C)(O)C1 ZINC000408453317 160111635 /nfs/dbraw/zinc/11/16/35/160111635.db2.gz QQLVEGORULCPRM-FQROODSSSA-N 0 0 324.421 0.368 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000408457214 160112784 /nfs/dbraw/zinc/11/27/84/160112784.db2.gz ANICHQWGNHXYAL-UHFFFAOYSA-N 0 0 321.406 0.634 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000408456497 160112884 /nfs/dbraw/zinc/11/28/84/160112884.db2.gz IZTJYWGVRFLHRD-UHFFFAOYSA-N 0 0 311.407 0.879 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](CF)C1 ZINC000408463704 160113660 /nfs/dbraw/zinc/11/36/60/160113660.db2.gz CLPAXHVPKCZVBX-RYUDHWBXSA-N 0 0 322.402 0.388 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000408472155 160115283 /nfs/dbraw/zinc/11/52/83/160115283.db2.gz UJORYIRCFVSQJF-AEJSXWLSSA-N 0 0 324.299 0.005 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000408470934 160115687 /nfs/dbraw/zinc/11/56/87/160115687.db2.gz RSJVCAYULKJHEE-QJPTWQEYSA-N 0 0 316.423 0.296 10 0 DCAERN C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccsc2)CCC(=O)NC1 ZINC000408476482 160116090 /nfs/dbraw/zinc/11/60/90/160116090.db2.gz AKCLBTCLVRNNSA-LLVKDONJSA-N 0 0 302.377 0.469 10 0 DCAERN CCCn1nccc1NC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000043720677 286885531 /nfs/dbraw/zinc/88/55/31/286885531.db2.gz ZZAJGDYIIWOURN-JTQLQIEISA-N 0 0 300.384 0.944 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H](O)Cc1ccccc1 ZINC000122448231 286958117 /nfs/dbraw/zinc/95/81/17/286958117.db2.gz DPUPWORAMVWBAU-CFVMTHIKSA-N 0 0 319.405 0.899 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCCCN1CCCCCC1=O ZINC000127002904 286975321 /nfs/dbraw/zinc/97/53/21/286975321.db2.gz FQHDOMXEARULAE-AWEZNQCLSA-N 0 0 309.410 0.906 10 0 DCAERN COc1cccc(CNC(=O)NCCCN2CCCC2=O)n1 ZINC000129123619 286986464 /nfs/dbraw/zinc/98/64/64/286986464.db2.gz OTKHCQMWFDDBAI-UHFFFAOYSA-N 0 0 306.366 0.902 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCCN1CCCC1=O ZINC000129177242 286986670 /nfs/dbraw/zinc/98/66/70/286986670.db2.gz LPJUDFZVQWISPJ-VXGBXAGGSA-N 0 0 312.414 0.601 10 0 DCAERN COc1cccc(CNC(=O)N2CCC(CC(N)=O)CC2)n1 ZINC000129248358 286987360 /nfs/dbraw/zinc/98/73/60/286987360.db2.gz VRPAUWUTCDYSIK-UHFFFAOYSA-N 0 0 306.366 0.887 10 0 DCAERN NC(=O)COCCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000131315346 286999630 /nfs/dbraw/zinc/99/96/30/286999630.db2.gz HJEVENPBRNMEMK-UHFFFAOYSA-N 0 0 305.309 0.848 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000131200413 286998702 /nfs/dbraw/zinc/99/87/02/286998702.db2.gz KOAMYOYQNRCFGE-LBPRGKRZSA-N 0 0 312.414 0.459 10 0 DCAERN Cc1nnc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1C ZINC000134314411 287015736 /nfs/dbraw/zinc/01/57/36/287015736.db2.gz SLTWPFVCYLFGSW-LLVKDONJSA-N 0 0 301.416 0.026 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N(CCO)Cc1ccccc1 ZINC000134911519 287019213 /nfs/dbraw/zinc/01/92/13/287019213.db2.gz QMAZNIRIOHKBOJ-UHFFFAOYSA-N 0 0 313.357 0.833 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000135566442 287023276 /nfs/dbraw/zinc/02/32/76/287023276.db2.gz MWAGMAOVAOHCQU-TUAOUCFPSA-N 0 0 304.412 0.471 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CCN1CCOC ZINC000135697584 287023860 /nfs/dbraw/zinc/02/38/60/287023860.db2.gz FXQUHZGQYIIMFP-MGPQQGTHSA-N 0 0 320.455 0.536 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C1CC1 ZINC000151478693 287034136 /nfs/dbraw/zinc/03/41/36/287034136.db2.gz CAJQRMSMJWKWMO-BDAKNGLRSA-N 0 0 300.384 0.002 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)C(=O)N[C@H](C)CC ZINC000152109731 287038589 /nfs/dbraw/zinc/03/85/89/287038589.db2.gz MOGSIUZVTVNGKC-MNOVXSKESA-N 0 0 323.397 0.651 10 0 DCAERN CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152141561 287039123 /nfs/dbraw/zinc/03/91/23/287039123.db2.gz JPXDRZAKNYAKLS-GFCCVEGCSA-N 0 0 304.346 0.938 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCO[C@@H]2CCOC2)C1 ZINC000152342997 287040644 /nfs/dbraw/zinc/04/06/44/287040644.db2.gz FYESFXKCGWWTNE-CHWSQXEVSA-N 0 0 306.428 0.748 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c(=O)[nH]c1C ZINC000152778132 287044240 /nfs/dbraw/zinc/04/42/40/287044240.db2.gz LLBRPGCIZIRJDF-RYUDHWBXSA-N 0 0 308.382 0.226 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC[C@](C)(O)C2)cc1 ZINC000152864619 287044832 /nfs/dbraw/zinc/04/48/32/287044832.db2.gz JOXBYODPVSDJIW-INIZCTEOSA-N 0 0 306.362 0.798 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2ncon2)cc1 ZINC000153249388 287048352 /nfs/dbraw/zinc/04/83/52/287048352.db2.gz BSVCUDBDRBHLFC-SNVBAGLBSA-N 0 0 300.274 0.272 10 0 DCAERN C[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCOCC1 ZINC000173067888 287052620 /nfs/dbraw/zinc/05/26/20/287052620.db2.gz BEGJKLYHSKSCBQ-GFCCVEGCSA-N 0 0 323.368 0.279 10 0 DCAERN O=C(Cc1c[nH]c2cc(F)ccc12)N[C@@H]1CCC(=O)NC1=O ZINC000153368723 287049569 /nfs/dbraw/zinc/04/95/69/287049569.db2.gz ZGODKYCISWZDPJ-LLVKDONJSA-N 0 0 303.293 0.771 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCS(=O)(=O)C1 ZINC000333207590 296853780 /nfs/dbraw/zinc/85/37/80/296853780.db2.gz CBQVHNWECSGNES-KGYLQXTDSA-N 0 0 316.423 0.630 10 0 DCAERN CNC(=O)CCN(C)C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193390851 287060490 /nfs/dbraw/zinc/06/04/90/287060490.db2.gz XZXYNKSTVVAIKJ-UHFFFAOYSA-N 0 0 312.395 0.800 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2nccs2)[C@@H](C)CO1 ZINC000245472401 287069894 /nfs/dbraw/zinc/06/98/94/287069894.db2.gz YYOTZBJJEQJMBU-UWVGGRQHSA-N 0 0 305.425 0.929 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408356526 292511540 /nfs/dbraw/zinc/51/15/40/292511540.db2.gz ZDTCHKYFJYGSSU-CHWSQXEVSA-N 0 0 306.428 0.700 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H](C)O1 ZINC000245986084 287075014 /nfs/dbraw/zinc/07/50/14/287075014.db2.gz KAKHRPLNIDAOPG-GMTAPVOTSA-N 0 0 306.428 0.586 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246092279 287076655 /nfs/dbraw/zinc/07/66/55/287076655.db2.gz KBNWQCSLQXOZAA-MELADBBJSA-N 0 0 320.455 0.272 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)cn1C ZINC000246546387 287085072 /nfs/dbraw/zinc/08/50/72/287085072.db2.gz AVXHUFVJKQZSBN-GHMZBOCLSA-N 0 0 317.436 0.624 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)n2cncn2)C[C@@H]1CC ZINC000246823947 287088214 /nfs/dbraw/zinc/08/82/14/287088214.db2.gz CCCYFVHJBCJOAD-KBPBESRZSA-N 0 0 309.414 0.798 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000246976495 287089856 /nfs/dbraw/zinc/08/98/56/287089856.db2.gz GYLKQOAFEVEDPX-MNOVXSKESA-N 0 0 310.441 0.082 10 0 DCAERN C[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCS1(=O)=O ZINC000247072419 287090935 /nfs/dbraw/zinc/09/09/35/287090935.db2.gz MTLAKKNEYADKRK-IUCAKERBSA-N 0 0 314.329 0.269 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@@H](C)C2)on1 ZINC000247079289 287091019 /nfs/dbraw/zinc/09/10/19/287091019.db2.gz NCRQRHGHCWMKAI-UWVGGRQHSA-N 0 0 301.368 0.429 10 0 DCAERN CCC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000247879702 287095577 /nfs/dbraw/zinc/09/55/77/287095577.db2.gz ZWGHYQCIMXXPRG-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000248334434 287096273 /nfs/dbraw/zinc/09/62/73/287096273.db2.gz GCMQZRUQUNDOJI-JYAVWHMHSA-N 0 0 312.377 0.819 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248503599 287098115 /nfs/dbraw/zinc/09/81/15/287098115.db2.gz VBJHYIPHOGRKPY-ACQVZOFHSA-N 0 0 312.457 0.039 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000248832661 287102041 /nfs/dbraw/zinc/10/20/41/287102041.db2.gz BVAVJBSFKUWOSS-MGPQQGTHSA-N 0 0 310.394 0.509 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000248687661 287099840 /nfs/dbraw/zinc/09/98/40/287099840.db2.gz VZPZAUQKAFSZOE-SFTQSGBHSA-N 0 0 308.378 0.845 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(CCO)[C@@H](C)C1 ZINC000249561580 287114395 /nfs/dbraw/zinc/11/43/95/287114395.db2.gz LTCLQUPJGDJDMU-LSDHHAIUSA-N 0 0 317.433 0.963 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249871001 287118422 /nfs/dbraw/zinc/11/84/22/287118422.db2.gz GEVYPRRIOMMKST-UONOGXRCSA-N 0 0 311.426 0.303 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000251291172 287119259 /nfs/dbraw/zinc/11/92/59/287119259.db2.gz NQZHUYMGKCMZDB-XJFOESAGSA-N 0 0 315.435 0.963 10 0 DCAERN O[C@@H](Cn1nnnc1/C=C\c1ccccc1)CN1CCOCC1 ZINC000255593487 287125887 /nfs/dbraw/zinc/12/58/87/287125887.db2.gz RZRNFCVRJABSEF-IDTUSYRASA-N 0 0 315.377 0.537 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@]2(CCOC2)O1 ZINC000329320976 287156998 /nfs/dbraw/zinc/15/69/98/287156998.db2.gz IZQSCAUSHFYODS-FJJYHAOUSA-N 0 0 312.366 0.866 10 0 DCAERN CC(=O)CCCC(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000352010484 287160903 /nfs/dbraw/zinc/16/09/03/287160903.db2.gz FDTJRARVNXBZIR-UHFFFAOYSA-N 0 0 305.334 0.600 10 0 DCAERN C[C@@H]1C(=O)NCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000112697602 287185788 /nfs/dbraw/zinc/18/57/88/287185788.db2.gz FODOXXXRPPBTBO-SECBINFHSA-N 0 0 308.407 0.781 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](CC)OC ZINC000358125359 287206124 /nfs/dbraw/zinc/20/61/24/287206124.db2.gz ORFPXPMNQBYUES-DCAQKATOSA-N 0 0 317.386 0.167 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(CC)CC)C[C@@]2(CCOC2)O1 ZINC000408338526 287204106 /nfs/dbraw/zinc/20/41/06/287204106.db2.gz HGAFMSFNHCJPEK-CHWSQXEVSA-N 0 0 306.428 0.843 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000038017507 415195467 /nfs/dbraw/zinc/19/54/67/415195467.db2.gz MPCCIHOSJOGHMQ-GHMZBOCLSA-N 0 0 308.400 0.225 10 0 DCAERN NC(=O)C1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000043643998 415214476 /nfs/dbraw/zinc/21/44/76/415214476.db2.gz DUFREOLONAHBMR-UHFFFAOYSA-N 0 0 318.377 0.323 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)CCc1ccccc1O ZINC000045075234 415242174 /nfs/dbraw/zinc/24/21/74/415242174.db2.gz SYUXCBZCUNVDCK-UHFFFAOYSA-N 0 0 300.380 0.380 10 0 DCAERN Cc1cccc(OC[C@H](O)CNC(=O)NCc2ccnn2C)c1 ZINC000057485062 415337378 /nfs/dbraw/zinc/33/73/78/415337378.db2.gz BPQFJPKITIQSQX-CQSZACIVSA-N 0 0 318.377 0.968 10 0 DCAERN C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCCO3)ccn2)CC1 ZINC000068367761 415395826 /nfs/dbraw/zinc/39/58/26/415395826.db2.gz DLMRUOSMEIXKIS-CQSZACIVSA-N 0 0 304.394 0.742 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000068634207 415396543 /nfs/dbraw/zinc/39/65/43/415396543.db2.gz CZISEULKYVDJDB-WDEREUQCSA-N 0 0 314.430 0.846 10 0 DCAERN Cc1cc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cnn1 ZINC000276042156 415416663 /nfs/dbraw/zinc/41/66/63/415416663.db2.gz GSMAJVQHXRLHQA-LBPRGKRZSA-N 0 0 312.395 0.329 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067198115 415375081 /nfs/dbraw/zinc/37/50/81/415375081.db2.gz MSKZRPHBTIBRKN-CQSZACIVSA-N 0 0 305.378 0.280 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cccn1 ZINC000067199977 415375812 /nfs/dbraw/zinc/37/58/12/415375812.db2.gz GTRWOOHDKYDKMC-AWEZNQCLSA-N 0 0 300.362 0.699 10 0 DCAERN CC[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)N1CCOCC1 ZINC000084218039 415490906 /nfs/dbraw/zinc/49/09/06/415490906.db2.gz ORGXZASVJMSGPT-UONOGXRCSA-N 0 0 322.409 0.815 10 0 DCAERN O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000332866166 415494966 /nfs/dbraw/zinc/49/49/66/415494966.db2.gz UHKDQMOJIYEQRV-RQJHMYQMSA-N 0 0 316.283 0.538 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1CCCSC1 ZINC000332862796 415496328 /nfs/dbraw/zinc/49/63/28/415496328.db2.gz XXKKOOADPNMCBN-NEPJUHHUSA-N 0 0 322.434 0.998 10 0 DCAERN Cc1noc(CO[C@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 ZINC000075403300 415446945 /nfs/dbraw/zinc/44/69/45/415446945.db2.gz JLUMDRCTVNPSEE-JTQLQIEISA-N 0 0 301.368 0.851 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCn4ccnc4C3)C[C@H]21 ZINC000332753841 415465261 /nfs/dbraw/zinc/46/52/61/415465261.db2.gz INFRJCBCYQCCQV-BFHYXJOUSA-N 0 0 319.409 0.312 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC(=O)N1CCCCC1 ZINC000080027795 415476375 /nfs/dbraw/zinc/47/63/75/415476375.db2.gz GZBFHYYHKKQREI-UHFFFAOYSA-N 0 0 316.361 0.458 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC[C@H](C)O ZINC000086013879 415504572 /nfs/dbraw/zinc/50/45/72/415504572.db2.gz YWVFYZOEOJGCSQ-ZETCQYMHSA-N 0 0 305.352 0.732 10 0 DCAERN CN(CCn1cccn1)C(=O)NC[C@H]1CCc2nccn2C1 ZINC000278905042 415507902 /nfs/dbraw/zinc/50/79/02/415507902.db2.gz GDJBUSFYQQMQCS-CYBMUJFWSA-N 0 0 302.382 0.984 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000089160515 415517013 /nfs/dbraw/zinc/51/70/13/415517013.db2.gz VGXHFWKSBLKKKP-STQMWFEESA-N 0 0 318.439 0.325 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279604069 415519165 /nfs/dbraw/zinc/51/91/65/415519165.db2.gz VXFYWFMNHANKKM-CXMBCZLWSA-N 0 0 316.357 0.954 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(C)C ZINC000089797366 415523571 /nfs/dbraw/zinc/52/35/71/415523571.db2.gz DDGQIFLSYBKPFI-LBPRGKRZSA-N 0 0 317.349 0.761 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)[C@@H]1OC ZINC000333003690 415527499 /nfs/dbraw/zinc/52/74/99/415527499.db2.gz KVEMPPFYAUONJH-BBIZWXPBSA-N 0 0 323.393 0.806 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000090509475 415530365 /nfs/dbraw/zinc/53/03/65/415530365.db2.gz IQRMHDAPFYVKNW-JTQLQIEISA-N 0 0 308.313 0.106 10 0 DCAERN Cc1cccc(CNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)n1 ZINC000091620479 415533597 /nfs/dbraw/zinc/53/35/97/415533597.db2.gz BUUASSPPPBYPQX-ZIAGYGMSSA-N 0 0 320.393 0.825 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCS1 ZINC000281660299 415561914 /nfs/dbraw/zinc/56/19/14/415561914.db2.gz SJHZOWMPTNOIRI-VIFPVBQESA-N 0 0 300.405 0.912 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1=O ZINC000333147235 415568647 /nfs/dbraw/zinc/56/86/47/415568647.db2.gz FHSYNNKVQNBOAH-NSHDSACASA-N 0 0 304.350 0.476 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c(C)o1 ZINC000284868704 415602399 /nfs/dbraw/zinc/60/23/99/415602399.db2.gz DHAKZMQMZWISKZ-CHWSQXEVSA-N 0 0 314.407 0.990 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000285019076 415607248 /nfs/dbraw/zinc/60/72/48/415607248.db2.gz UAGMVHILEKEMIG-MRXNPFEDSA-N 0 0 320.345 0.752 10 0 DCAERN COC[C@H](C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000103392270 415618484 /nfs/dbraw/zinc/61/84/84/415618484.db2.gz LCOMFNHRMQFGMM-NSHDSACASA-N 0 0 317.349 0.605 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000104359294 415624243 /nfs/dbraw/zinc/62/42/43/415624243.db2.gz PWJWPSCBGAWKDX-OLZOCXBDSA-N 0 0 307.394 0.372 10 0 DCAERN O=S(=O)(N[C@H]1CCN(c2ccccc2)C1)N1CCOCC1 ZINC000106892425 415651369 /nfs/dbraw/zinc/65/13/69/415651369.db2.gz WUGZITLNKIFASG-ZDUSSCGKSA-N 0 0 311.407 0.432 10 0 DCAERN CN1C(=O)CC[C@@H](Nc2cc(N3CCSCC3)ncn2)C1=O ZINC000333423696 415647074 /nfs/dbraw/zinc/64/70/74/415647074.db2.gz JQMIUNUHEJTGKR-SNVBAGLBSA-N 0 0 321.406 0.589 10 0 DCAERN COc1cnc(NC(=O)N2CCOC[C@H]2[C@H]2CCCO2)nc1 ZINC000333217980 415586297 /nfs/dbraw/zinc/58/62/97/415586297.db2.gz VISCDIDARKMDJQ-NWDGAFQWSA-N 0 0 308.338 0.897 10 0 DCAERN CC(C)[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333488075 415663597 /nfs/dbraw/zinc/66/35/97/415663597.db2.gz CCPCKLVLXDZIJL-MELADBBJSA-N 0 0 308.426 0.637 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2)n(C)n1 ZINC000333521649 415673794 /nfs/dbraw/zinc/67/37/94/415673794.db2.gz KTKYNSGCAMKEMD-HEHGZKQESA-N 0 0 321.425 0.910 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCN(C(=O)C4CC4)C3)C2=O)n(C)n1 ZINC000333566363 415684811 /nfs/dbraw/zinc/68/48/11/415684811.db2.gz RIBIYALIZCOREP-ZDUSSCGKSA-N 0 0 317.393 0.346 10 0 DCAERN O=C(CNC(=O)c1ccsc1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000117985697 415733360 /nfs/dbraw/zinc/73/33/60/415733360.db2.gz HXXMIRSJRTWMDI-LBPRGKRZSA-N 0 0 321.402 0.748 10 0 DCAERN C[C@@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000112111344 415704313 /nfs/dbraw/zinc/70/43/13/415704313.db2.gz SSIBGHQTXDIZQM-TZMCWYRMSA-N 0 0 320.393 0.643 10 0 DCAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000112654112 415713297 /nfs/dbraw/zinc/71/32/97/415713297.db2.gz WORGWSOVZXYIBM-RYUDHWBXSA-N 0 0 321.381 0.578 10 0 DCAERN CN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCOC1 ZINC000113314962 415714871 /nfs/dbraw/zinc/71/48/71/415714871.db2.gz RFHHPAQQTDXSMP-QMMMGPOBSA-N 0 0 304.393 0.185 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000120196211 415760628 /nfs/dbraw/zinc/76/06/28/415760628.db2.gz FJXKNMGTOYTNDG-ONGXEEELSA-N 0 0 322.365 0.644 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnn(-c2ccccn2)c1C ZINC000120348072 415763884 /nfs/dbraw/zinc/76/38/84/415763884.db2.gz MLXLOOQYDRLIMX-CYBMUJFWSA-N 0 0 313.361 0.926 10 0 DCAERN O=C(NCC[S@@](=O)Cc1ccccc1)N1CCNC(=O)CC1 ZINC000120445718 415767169 /nfs/dbraw/zinc/76/71/69/415767169.db2.gz PTPKWPRFYRDQIW-QFIPXVFZSA-N 0 0 323.418 0.467 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000120472789 415768893 /nfs/dbraw/zinc/76/88/93/415768893.db2.gz DBCSFZZELPRVKU-CYBMUJFWSA-N 0 0 303.362 0.925 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1C ZINC000122378988 415832347 /nfs/dbraw/zinc/83/23/47/415832347.db2.gz JUUWZWWPFYRBIK-LLVKDONJSA-N 0 0 324.402 0.887 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(CC)CC)CCN1C[C@@H](C)O ZINC000122739751 415836280 /nfs/dbraw/zinc/83/62/80/415836280.db2.gz IXKUOSAZYBCESS-CHWSQXEVSA-N 0 0 307.460 0.350 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCO2)ncn1 ZINC000122705466 415836401 /nfs/dbraw/zinc/83/64/01/415836401.db2.gz YRSGHQPJDGAJAK-NEPJUHHUSA-N 0 0 305.382 0.782 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000123235281 415838944 /nfs/dbraw/zinc/83/89/44/415838944.db2.gz HAEOZTDRBBKJBZ-ZIAGYGMSSA-N 0 0 320.455 0.274 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ncc(C)s2)C1 ZINC000123465572 415841449 /nfs/dbraw/zinc/84/14/49/415841449.db2.gz MDDMVVPXXFAIBI-SNVBAGLBSA-N 0 0 310.379 0.517 10 0 DCAERN Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C2CC2)[NH+]2CCCC2)cn1 ZINC000123752318 415844670 /nfs/dbraw/zinc/84/46/70/415844670.db2.gz PNNGDPMTIJXXMB-GFCCVEGCSA-N 0 0 312.395 0.099 10 0 DCAERN Cn1ncc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1-n1cccc1 ZINC000124140586 415847942 /nfs/dbraw/zinc/84/79/42/415847942.db2.gz AIZIQSGSAMZXHQ-KBPBESRZSA-N 0 0 315.377 0.366 10 0 DCAERN O=C(Nc1cccc(-n2ccnc2)c1)C(=O)N1CCC[C@H]1CO ZINC000120926183 415791162 /nfs/dbraw/zinc/79/11/62/415791162.db2.gz PQKOMOQXBYHCJA-AWEZNQCLSA-N 0 0 314.345 0.794 10 0 DCAERN COc1ccc(CNC(=O)C[S@@](=O)Cc2ccnn2C)cc1 ZINC000121391321 415803231 /nfs/dbraw/zinc/80/32/31/415803231.db2.gz POBKJCXGHAOXBI-JOCHJYFZSA-N 0 0 321.402 0.994 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)c1c(F)cncc1F ZINC000344152440 415851246 /nfs/dbraw/zinc/85/12/46/415851246.db2.gz LLNVCASUISLTTD-JWKOBGCHSA-N 0 0 313.304 0.519 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121746014 415816165 /nfs/dbraw/zinc/81/61/65/415816165.db2.gz QTDXPAIEGMHGDG-NXEZZACHSA-N 0 0 314.363 0.043 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000122138161 415827190 /nfs/dbraw/zinc/82/71/90/415827190.db2.gz CCBQGIMLXIIJIH-LBPRGKRZSA-N 0 0 303.370 0.633 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000125418622 415869084 /nfs/dbraw/zinc/86/90/84/415869084.db2.gz OUNADVQYUZPJOP-DYEKYZERSA-N 0 0 309.410 0.365 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](O)CC2)[C@@H]1c1cccnc1 ZINC000294956340 415877117 /nfs/dbraw/zinc/87/71/17/415877117.db2.gz SGLSLERIUQIFTQ-YCPHGPKFSA-N 0 0 317.389 0.974 10 0 DCAERN CN(C(=O)N[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000125322655 415863451 /nfs/dbraw/zinc/86/34/51/415863451.db2.gz QLYXTIKVVPAMCF-CMPLNLGQSA-N 0 0 310.375 0.949 10 0 DCAERN O=C(CNC(=O)[C@@H]1CCCc2n[nH]cc21)NCC(F)(F)F ZINC000133281797 415943360 /nfs/dbraw/zinc/94/33/60/415943360.db2.gz LWEXTRIVEXCQRP-SSDOTTSWSA-N 0 0 304.272 0.624 10 0 DCAERN CC(=O)CCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000337393484 415955897 /nfs/dbraw/zinc/95/58/97/415955897.db2.gz IHHIMJMLXRYYCD-GFCCVEGCSA-N 0 0 306.366 0.397 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000153700685 415985488 /nfs/dbraw/zinc/98/54/88/415985488.db2.gz LVJKVESPXXKTOR-LLVKDONJSA-N 0 0 307.398 0.823 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCOC[C@]23CCOC3)CC1 ZINC000337722773 416001996 /nfs/dbraw/zinc/00/19/96/416001996.db2.gz KVSDCMJIVVFVTN-SEEARECTSA-N 0 0 311.378 0.984 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cncc(-n2ccnn2)c1 ZINC000344800667 415989728 /nfs/dbraw/zinc/98/97/28/415989728.db2.gz FPGJPGUMPGWDSY-UONOGXRCSA-N 0 0 317.349 0.538 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000155015023 415992962 /nfs/dbraw/zinc/99/29/62/415992962.db2.gz WIOSJAQMHMHUSM-JTQLQIEISA-N 0 0 316.369 0.579 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000155339256 415996285 /nfs/dbraw/zinc/99/62/85/415996285.db2.gz YCXNJFCBZCCJQN-LBPRGKRZSA-N 0 0 320.393 0.908 10 0 DCAERN O=C(NCc1cccc(C(F)(F)F)n1)N1CCNC(=O)C1 ZINC000298256471 415999147 /nfs/dbraw/zinc/99/91/47/415999147.db2.gz ZGSVGHWFUKCXCL-UHFFFAOYSA-N 0 0 302.256 0.742 10 0 DCAERN C[C@H]1OCCN(Cc2ccc(-n3ccnc3)cc2)[C@H]1C(N)=O ZINC000344864968 415999213 /nfs/dbraw/zinc/99/92/13/415999213.db2.gz MLZXQTSGDOTDNC-IUODEOHRSA-N 0 0 300.362 0.947 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC000172315271 416044771 /nfs/dbraw/zinc/04/47/71/416044771.db2.gz JBSZNEISIRGOCU-SNVBAGLBSA-N 0 0 302.421 0.831 10 0 DCAERN CN(CC(=O)N(C[C@H]1CCCO1)C1CCCC1)S(C)(=O)=O ZINC000174542571 416079766 /nfs/dbraw/zinc/07/97/66/416079766.db2.gz NLKBJTVLUGOWEH-CYBMUJFWSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCc1ccncc1 ZINC000173072093 416052339 /nfs/dbraw/zinc/05/23/39/416052339.db2.gz PSWBAFVRTDJWSL-OLZOCXBDSA-N 0 0 313.423 0.910 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000173304179 416056859 /nfs/dbraw/zinc/05/68/59/416056859.db2.gz YJQDJHLEXJKGHI-ZCFIWIBFSA-N 0 0 322.296 0.284 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CCn3cc(C)cn3)CCO2)[nH]1 ZINC000173564607 416062077 /nfs/dbraw/zinc/06/20/77/416062077.db2.gz LOZFMUXSUVOWJX-LBPRGKRZSA-N 0 0 318.381 0.862 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173568933 416062729 /nfs/dbraw/zinc/06/27/29/416062729.db2.gz GFYHXFKKPANKJB-LLVKDONJSA-N 0 0 323.397 0.573 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cccnc3)CCO2)[nH]1 ZINC000173740081 416064642 /nfs/dbraw/zinc/06/46/42/416064642.db2.gz IHJGSAYIHFAABR-LLVKDONJSA-N 0 0 323.378 0.524 10 0 DCAERN CCCNC(=O)CCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173845133 416065908 /nfs/dbraw/zinc/06/59/08/416065908.db2.gz COHPROUTMNNVOB-UONOGXRCSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173875944 416066703 /nfs/dbraw/zinc/06/67/03/416066703.db2.gz XJZWTKNPTVQDEV-KBPBESRZSA-N 0 0 309.410 0.178 10 0 DCAERN COCCOCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173877778 416068623 /nfs/dbraw/zinc/06/86/23/416068623.db2.gz PQRFLEXUCCXRAP-KGLIPLIRSA-N 0 0 300.399 0.219 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000173878277 416068840 /nfs/dbraw/zinc/06/88/40/416068840.db2.gz MLDSKUWDIWZUCB-UHFFFAOYSA-N 0 0 321.352 0.588 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)CC(=O)N(C)C)CC2)s1 ZINC000174188444 416073656 /nfs/dbraw/zinc/07/36/56/416073656.db2.gz HUWVFGLYZFCTCI-UHFFFAOYSA-N 0 0 323.418 0.819 10 0 DCAERN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1F ZINC000174326140 416075490 /nfs/dbraw/zinc/07/54/90/416075490.db2.gz BCXKDWJERHGPOE-SECBINFHSA-N 0 0 323.299 0.735 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000337793229 416010489 /nfs/dbraw/zinc/01/04/89/416010489.db2.gz BXTTZTYJATZGDF-AAEUAGOBSA-N 0 0 309.410 0.808 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000166772173 416022967 /nfs/dbraw/zinc/02/29/67/416022967.db2.gz YQOHHDOJBBOCRO-NSHDSACASA-N 0 0 311.288 0.640 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000170655735 416028465 /nfs/dbraw/zinc/02/84/65/416028465.db2.gz MLIXREFHKDNGRV-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN NC(=O)CCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000151064221 196624281 /nfs/dbraw/zinc/62/42/81/196624281.db2.gz DDJFLWHNCMZVLW-UHFFFAOYSA-N 0 0 307.325 0.948 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000174654312 416083512 /nfs/dbraw/zinc/08/35/12/416083512.db2.gz JHNGXBJIUGRFSB-UHFFFAOYSA-N 0 0 323.418 0.901 10 0 DCAERN CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cncc(C(N)=O)n2)C1 ZINC000301528310 416085461 /nfs/dbraw/zinc/08/54/61/416085461.db2.gz QTIAEIVCHKDYIF-NSHDSACASA-N 0 0 319.409 0.954 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338364412 416086039 /nfs/dbraw/zinc/08/60/39/416086039.db2.gz CGBBSKCPMBTAFN-GASCZTMLSA-N 0 0 304.346 0.927 10 0 DCAERN O=C(CN1CC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743817 416086910 /nfs/dbraw/zinc/08/69/10/416086910.db2.gz GMSSYQZHVNWFQT-GFCCVEGCSA-N 0 0 323.315 0.754 10 0 DCAERN NC(=O)c1cncc(NC2CCN(C(=O)c3ccco3)CC2)n1 ZINC000301596964 416088572 /nfs/dbraw/zinc/08/85/72/416088572.db2.gz SPQRLPDGMOJQEV-UHFFFAOYSA-N 0 0 315.333 0.885 10 0 DCAERN COCC[C@](C)(O)CNC(=O)c1cccc(-n2cncn2)c1 ZINC000174934927 416090013 /nfs/dbraw/zinc/09/00/13/416090013.db2.gz JQNBXINGLYUOLZ-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccnc1 ZINC000174971623 416092703 /nfs/dbraw/zinc/09/27/03/416092703.db2.gz RWWKXWRQNUAWGR-BXUZGUMPSA-N 0 0 313.361 0.840 10 0 DCAERN C[C@H](Nc1nnc(-c2ccon2)s1)C1(S(C)(=O)=O)CC1 ZINC000329213023 416155869 /nfs/dbraw/zinc/15/58/69/416155869.db2.gz ITQYPRWONSFSLM-ZETCQYMHSA-N 0 0 314.392 1.571 10 0 DCAERN Cc1cc(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)on1 ZINC000312415265 416105526 /nfs/dbraw/zinc/10/55/26/416105526.db2.gz RKLGHUFFHBLSGP-SECBINFHSA-N 0 0 315.317 0.895 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@H]1CCCOCC1 ZINC000313263295 416108318 /nfs/dbraw/zinc/10/83/18/416108318.db2.gz ZETNAGWNEDUIDE-QJPTWQEYSA-N 0 0 305.396 0.817 10 0 DCAERN CCc1cnc(CN(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000175519557 416108495 /nfs/dbraw/zinc/10/84/95/416108495.db2.gz KOCMJZFYVOMVBE-LLVKDONJSA-N 0 0 324.450 0.861 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@](O)(CO)C1 ZINC000313655826 416108904 /nfs/dbraw/zinc/10/89/04/416108904.db2.gz WZJYARLUMIILLW-GFCCVEGCSA-N 0 0 305.783 0.848 10 0 DCAERN Cc1cc(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)n(C)n1 ZINC000175616084 416111409 /nfs/dbraw/zinc/11/14/09/416111409.db2.gz JKQYPGTXOARJND-CYBMUJFWSA-N 0 0 323.397 0.733 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000345548028 416113217 /nfs/dbraw/zinc/11/32/17/416113217.db2.gz UUGDKADPNWMWJL-STQMWFEESA-N 0 0 302.334 0.694 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000176034252 416117770 /nfs/dbraw/zinc/11/77/70/416117770.db2.gz XVZDUTHDCMSMLW-LBPRGKRZSA-N 0 0 301.412 0.077 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCCCC1 ZINC000176001947 416119418 /nfs/dbraw/zinc/11/94/18/416119418.db2.gz KUSGQNUXOMFHDY-SNVBAGLBSA-N 0 0 306.366 0.255 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H](C)c2nc[nH]n2)cc1 ZINC000176215964 416122229 /nfs/dbraw/zinc/12/22/29/416122229.db2.gz XIBLCULFBNERPC-SECBINFHSA-N 0 0 303.322 0.421 10 0 DCAERN Cc1cc(NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)nn1C ZINC000328645935 416125628 /nfs/dbraw/zinc/12/56/28/416125628.db2.gz ZVHINECRNMSAKH-GFCCVEGCSA-N 0 0 317.397 0.983 10 0 DCAERN COCC[C@](C)(O)CNC(=O)CNC(=O)c1ccccc1C ZINC000176608234 416130236 /nfs/dbraw/zinc/13/02/36/416130236.db2.gz PPTQFLPBCCIAMD-INIZCTEOSA-N 0 0 308.378 0.629 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000176805394 416134873 /nfs/dbraw/zinc/13/48/73/416134873.db2.gz ZFROMYINARFEEC-VHSXEESVSA-N 0 0 318.420 0.724 10 0 DCAERN C[C@](O)(CNC(=O)c1cc(Cl)ccn1)CN1CCOCC1 ZINC000176904981 416135890 /nfs/dbraw/zinc/13/58/90/416135890.db2.gz YQKLCWCZVOUIKL-AWEZNQCLSA-N 0 0 313.785 0.548 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892090 416136952 /nfs/dbraw/zinc/13/69/52/416136952.db2.gz SXRLBISEFXBGFN-OLZOCXBDSA-N 0 0 301.350 0.274 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)c2ccccc2)C1 ZINC000176907909 416137031 /nfs/dbraw/zinc/13/70/31/416137031.db2.gz IDIUDLFYLHFLBY-UHFFFAOYSA-N 0 0 306.362 0.680 10 0 DCAERN NC(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)o1 ZINC000177059665 416139130 /nfs/dbraw/zinc/13/91/30/416139130.db2.gz FBVLEHFCSDWQHY-UHFFFAOYSA-N 0 0 312.285 0.545 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000329041266 416146892 /nfs/dbraw/zinc/14/68/92/416146892.db2.gz SSQNTCVAVPYODK-UJPOAAIJSA-N 0 0 306.366 0.827 10 0 DCAERN C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177671328 416149629 /nfs/dbraw/zinc/14/96/29/416149629.db2.gz QWKXPJGTUUTXDZ-YUMQZZPRSA-N 0 0 318.376 0.627 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000177797337 416152536 /nfs/dbraw/zinc/15/25/36/416152536.db2.gz NTIUMKWJGRWTQZ-ZJUUUORDSA-N 0 0 302.334 0.701 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000177867512 416152647 /nfs/dbraw/zinc/15/26/47/416152647.db2.gz TYNGAHAFRIMBPV-JSGCOSHPSA-N 0 0 320.393 0.570 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000357919774 416153334 /nfs/dbraw/zinc/15/33/34/416153334.db2.gz CUMIKDNPORSLNA-GFCCVEGCSA-N 0 0 313.361 0.960 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n(C)n1 ZINC000177890872 416154146 /nfs/dbraw/zinc/15/41/46/416154146.db2.gz YHHVXPHSKPTXCR-LLVKDONJSA-N 0 0 320.271 0.193 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178700515 416169297 /nfs/dbraw/zinc/16/92/97/416169297.db2.gz KOJQRNDBYHIVTM-HIFRSBDPSA-N 0 0 313.357 0.994 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1C ZINC000178959090 416178935 /nfs/dbraw/zinc/17/89/35/416178935.db2.gz DWDQUUHDXHJMLU-HNNXBMFYSA-N 0 0 316.405 0.358 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178961911 416179538 /nfs/dbraw/zinc/17/95/38/416179538.db2.gz IGBLXSJSEOPXLK-ZDUSSCGKSA-N 0 0 302.378 0.050 10 0 DCAERN CCc1nnc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1C ZINC000179251603 416183898 /nfs/dbraw/zinc/18/38/98/416183898.db2.gz ZKUKQGKRTVQQCO-OAHLLOKOSA-N 0 0 320.485 0.979 10 0 DCAERN CS(=O)(=O)NCCNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179474839 416188251 /nfs/dbraw/zinc/18/82/51/416188251.db2.gz AWIBDAOJBMTGGF-UHFFFAOYSA-N 0 0 323.378 0.747 10 0 DCAERN COCCNC(=O)CNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179492039 416189206 /nfs/dbraw/zinc/18/92/06/416189206.db2.gz QIRNLXXKWBFDKW-UHFFFAOYSA-N 0 0 317.349 0.961 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000180276372 416196301 /nfs/dbraw/zinc/19/63/01/416196301.db2.gz VTJFQIVCTMPBCG-ZDUSSCGKSA-N 0 0 302.330 0.071 10 0 DCAERN COc1ccc(CN2C[C@H](C(=O)N3CCCN3)CC2=O)cc1 ZINC000182980600 416234214 /nfs/dbraw/zinc/23/42/14/416234214.db2.gz KTCLUQDEYZAMOK-CYBMUJFWSA-N 0 0 303.362 0.781 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181321622 416205621 /nfs/dbraw/zinc/20/56/21/416205621.db2.gz RLIHRUGNYHZVOC-CQSZACIVSA-N 0 0 321.425 0.542 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CNC(=O)C(C)(C)C)cn1 ZINC000181366792 416206857 /nfs/dbraw/zinc/20/68/57/416206857.db2.gz UAOJSWQQCIPZDG-GFCCVEGCSA-N 0 0 307.398 0.055 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)COc2ccccc2)cn1 ZINC000181370102 416206911 /nfs/dbraw/zinc/20/69/11/416206911.db2.gz JOZNZPDOMCCCCL-OAHLLOKOSA-N 0 0 300.362 0.972 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)o1 ZINC000181438992 416208566 /nfs/dbraw/zinc/20/85/66/416208566.db2.gz YKWXGDICHWMPNH-LLVKDONJSA-N 0 0 318.333 0.586 10 0 DCAERN CC[C@H]1CN(C(=O)NCCc2cn[nH]c2)C[C@H](C)S1(=O)=O ZINC000358193321 416208588 /nfs/dbraw/zinc/20/85/88/416208588.db2.gz JDLUXALNMCNCOS-JQWIXIFHSA-N 0 0 314.411 0.559 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000181545922 416209811 /nfs/dbraw/zinc/20/98/11/416209811.db2.gz AANXPZYFEDDVSY-NSHDSACASA-N 0 0 313.313 0.498 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000181555270 416209911 /nfs/dbraw/zinc/20/99/11/416209911.db2.gz UXKPISOLECHSKW-LLVKDONJSA-N 0 0 316.427 0.251 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCC(=O)NCC1CC1 ZINC000181671443 416210626 /nfs/dbraw/zinc/21/06/26/416210626.db2.gz VYNKDRZRZAHNNU-UHFFFAOYSA-N 0 0 321.425 0.795 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)c(C)o1 ZINC000181691860 416211967 /nfs/dbraw/zinc/21/19/67/416211967.db2.gz IEGQZMLWFAPHHN-CYBMUJFWSA-N 0 0 324.406 0.965 10 0 DCAERN CO[C@@H](C)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000182002489 416214319 /nfs/dbraw/zinc/21/43/19/416214319.db2.gz MFEQHABVVGJRRP-HNNXBMFYSA-N 0 0 305.422 0.955 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N1C[C@H]3CCC[C@@H](C1)C3O)c2O ZINC000182035546 416214393 /nfs/dbraw/zinc/21/43/93/416214393.db2.gz UKLVMEZEKULVPY-HWYHXSKPSA-N 0 0 316.361 0.907 10 0 DCAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N(CCO)CCO ZINC000182186760 416215807 /nfs/dbraw/zinc/21/58/07/416215807.db2.gz FHXKGQFCPVECRI-UHFFFAOYSA-N 0 0 314.285 0.076 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377385 416220992 /nfs/dbraw/zinc/22/09/92/416220992.db2.gz FVKFUFBWJBBFIU-NSHDSACASA-N 0 0 320.315 0.896 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](CO)C1CC1 ZINC000358297640 416221858 /nfs/dbraw/zinc/22/18/58/416221858.db2.gz FITOESNCKOTIFY-ZDUSSCGKSA-N 0 0 315.373 0.840 10 0 DCAERN O=C(NCc1ccccc1OCCO)N[C@H]1C=C[C@@H](CO)C1 ZINC000358325179 416223953 /nfs/dbraw/zinc/22/39/53/416223953.db2.gz POVAPWDJQJVDPX-OCCSQVGLSA-N 0 0 306.362 0.794 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000178283752 416161067 /nfs/dbraw/zinc/16/10/67/416161067.db2.gz UCUPHSAVISZIIU-NSHDSACASA-N 0 0 318.377 0.254 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1COCCN1 ZINC000178413085 416162214 /nfs/dbraw/zinc/16/22/14/416162214.db2.gz FZEQHNFCFSVMMQ-AWEZNQCLSA-N 0 0 323.368 0.279 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178340669 416163363 /nfs/dbraw/zinc/16/33/63/416163363.db2.gz VQYRAJHFDSWFPQ-OCCSQVGLSA-N 0 0 315.304 0.934 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cc2)n1 ZINC000183521701 416244070 /nfs/dbraw/zinc/24/40/70/416244070.db2.gz XNQBLIKSEATBQJ-CQSZACIVSA-N 0 0 315.377 0.543 10 0 DCAERN COc1ccccc1C(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000183556348 416245069 /nfs/dbraw/zinc/24/50/69/416245069.db2.gz KTXBTWXQAJHQBM-LBPRGKRZSA-N 0 0 306.362 0.715 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000183599974 416246992 /nfs/dbraw/zinc/24/69/92/416246992.db2.gz MQFQWSFJSMBTBY-GFCCVEGCSA-N 0 0 319.317 0.804 10 0 DCAERN COc1cc(N2CCN([C@H](C)CN3CCOCC3)CC2)ncn1 ZINC000184084165 416251968 /nfs/dbraw/zinc/25/19/68/416251968.db2.gz GRFIGTLKHCNZNB-CQSZACIVSA-N 0 0 321.425 0.328 10 0 DCAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)CO2 ZINC000186196135 416256354 /nfs/dbraw/zinc/25/63/54/416256354.db2.gz WGAYSYJHSYQZGB-VXGBXAGGSA-N 0 0 302.330 0.701 10 0 DCAERN C[C@@H]1CN=C(N2CCN(C(=O)CCc3ccnn3C)CC2)S1 ZINC000187233432 416260621 /nfs/dbraw/zinc/26/06/21/416260621.db2.gz LPNWERNRUYUEEF-GFCCVEGCSA-N 0 0 321.450 0.988 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000188173595 416262690 /nfs/dbraw/zinc/26/26/90/416262690.db2.gz AYAVRCYLZYOMCD-ZDUSSCGKSA-N 0 0 304.346 0.753 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCN1CCO ZINC000188804937 416264082 /nfs/dbraw/zinc/26/40/82/416264082.db2.gz ILPACUGCPYDZAR-DZGCQCFKSA-N 0 0 323.437 0.160 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188723144 416264999 /nfs/dbraw/zinc/26/49/99/416264999.db2.gz XJVWJZAXXSQUDT-ZDUSSCGKSA-N 0 0 320.389 0.541 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000331101115 416265599 /nfs/dbraw/zinc/26/55/99/416265599.db2.gz BRSDBADIEIRBMD-LURJTMIESA-N 0 0 323.300 0.361 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC(C)(CCOC)C1 ZINC000358669206 416265744 /nfs/dbraw/zinc/26/57/44/416265744.db2.gz RRPCMUFKWTVOOI-LLVKDONJSA-N 0 0 306.428 0.878 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)[C@H](C)C1 ZINC000358694233 416269385 /nfs/dbraw/zinc/26/93/85/416269385.db2.gz RASYWFQOOJKYJS-TZMCWYRMSA-N 0 0 309.410 0.713 10 0 DCAERN O=C(NCCn1c(=O)oc2ccccc21)NC[C@@H](CO)C1CC1 ZINC000358690655 416269892 /nfs/dbraw/zinc/26/98/92/416269892.db2.gz QHFAMVCDXHIQLD-LBPRGKRZSA-N 0 0 319.361 0.912 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000189878214 416271939 /nfs/dbraw/zinc/27/19/39/416271939.db2.gz GZIVXCGIYNAGJD-HNNXBMFYSA-N 0 0 306.366 0.255 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCC[C@H]2CO)cn1 ZINC000189925120 416272063 /nfs/dbraw/zinc/27/20/63/416272063.db2.gz DPQPOWKMGCJSEH-MFKMUULPSA-N 0 0 306.366 0.776 10 0 DCAERN CC(=O)NC1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)C1 ZINC000189965369 416273075 /nfs/dbraw/zinc/27/30/75/416273075.db2.gz YWTVYVMXDRFUCG-UHFFFAOYSA-N 0 0 324.425 0.553 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CC1(CO)CC1)C(=O)OC ZINC000190042900 416273357 /nfs/dbraw/zinc/27/33/57/416273357.db2.gz MTANXTUCVZGLOC-DGCLKSJQSA-N 0 0 300.399 0.395 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)NCCNC(=O)c2ccn[nH]2)n1 ZINC000183133196 416236194 /nfs/dbraw/zinc/23/61/94/416236194.db2.gz WJCLCIXOIMDSSH-NSHDSACASA-N 0 0 304.354 0.330 10 0 DCAERN CO[C@@](C)(C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1F ZINC000192181547 416302173 /nfs/dbraw/zinc/30/21/73/416302173.db2.gz VZEQTXQKWOKQPK-XHDPSFHLSA-N 0 0 308.309 0.609 10 0 DCAERN CCCCN1C(=O)N=NC1S(=O)(=O)Cc1ccnc(C)n1 ZINC000359174304 416309198 /nfs/dbraw/zinc/30/91/98/416309198.db2.gz WKMGRRLDPBNJHJ-UHFFFAOYSA-N 0 0 311.367 0.856 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000193368388 416315677 /nfs/dbraw/zinc/31/56/77/416315677.db2.gz NGLZEZOASYGCAD-LBPRGKRZSA-N 0 0 322.340 0.092 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000358855433 416285512 /nfs/dbraw/zinc/28/55/12/416285512.db2.gz PPYRPVDJQXMVSO-FQUUOJAGSA-N 0 0 324.421 0.944 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)no1 ZINC000191424133 416287477 /nfs/dbraw/zinc/28/74/77/416287477.db2.gz ITPINLYKPGOGMV-WCQYABFASA-N 0 0 308.382 0.837 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)cn1 ZINC000191770128 416289277 /nfs/dbraw/zinc/28/92/77/416289277.db2.gz NXDXPEYOBXVLSQ-CYBMUJFWSA-N 0 0 319.365 0.411 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)N[C@H]2CCN(C)C2=O)no1 ZINC000358940793 416294976 /nfs/dbraw/zinc/29/49/76/416294976.db2.gz IRLVXYDDXHVEOA-QMMMGPOBSA-N 0 0 324.337 0.226 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@H]1Cc3ccccc31)c2=O ZINC000194074380 416322026 /nfs/dbraw/zinc/32/20/26/416322026.db2.gz YAIJABOSXSTDMD-GFCCVEGCSA-N 0 0 323.356 0.586 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCS1(=O)=O ZINC000246910199 416332360 /nfs/dbraw/zinc/33/23/60/416332360.db2.gz MKCSSOFCQXZTEL-DDHJBXDOSA-N 0 0 316.423 0.628 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000248510950 416333719 /nfs/dbraw/zinc/33/37/19/416333719.db2.gz ARIQDFDGSVTECW-OLZOCXBDSA-N 0 0 320.455 0.978 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H](CO)C1CC1 ZINC000359779872 416358536 /nfs/dbraw/zinc/35/85/36/416358536.db2.gz ZTQAJGXFNNHVEB-LBPRGKRZSA-N 0 0 316.357 0.807 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000359587659 416351717 /nfs/dbraw/zinc/35/17/17/416351717.db2.gz FSPPGZVNSMRSCA-ZDUSSCGKSA-N 0 0 318.377 0.254 10 0 DCAERN CNc1ncnc2c1cnn2Cc1noc(CCC(=O)OC)n1 ZINC000194420828 416322977 /nfs/dbraw/zinc/32/29/77/416322977.db2.gz YNSIXDKMDDYAIG-UHFFFAOYSA-N 0 0 317.309 0.405 10 0 DCAERN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC(=O)CC1 ZINC000194961262 416325045 /nfs/dbraw/zinc/32/50/45/416325045.db2.gz SYDIPZWSEMDQTD-NSHDSACASA-N 0 0 305.309 0.600 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000195489207 416326658 /nfs/dbraw/zinc/32/66/58/416326658.db2.gz XADZVVACAJPSHO-NOZJJQNGSA-N 0 0 314.345 0.747 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195479244 416326714 /nfs/dbraw/zinc/32/67/14/416326714.db2.gz ZGLPBRHPJUDRBA-GXFFZTMASA-N 0 0 312.391 0.639 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)NC[C@H](CO)C1CC1)c2=O ZINC000359777153 416358065 /nfs/dbraw/zinc/35/80/65/416358065.db2.gz FMBMIQRHLUQCPS-GFCCVEGCSA-N 0 0 301.346 0.751 10 0 DCAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000246182220 416331678 /nfs/dbraw/zinc/33/16/78/416331678.db2.gz KUHXQHLZMOFYPH-WOPDTQHZSA-N 0 0 307.398 0.954 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCc3ncnn3C1)CS2 ZINC000246655574 416332104 /nfs/dbraw/zinc/33/21/04/416332104.db2.gz ZTUYELCFWGQMCM-RBZYPMLTSA-N 0 0 321.406 0.163 10 0 DCAERN COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc1 ZINC000359829360 416361458 /nfs/dbraw/zinc/36/14/58/416361458.db2.gz ARRNYPFBBMRTTK-UHFFFAOYSA-N 0 0 321.358 0.668 10 0 DCAERN C[C@@H]1CCC[C@@]1(O)CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000359838309 416361984 /nfs/dbraw/zinc/36/19/84/416361984.db2.gz VQXCUJOXFFJMHP-DAXOMENPSA-N 0 0 308.378 0.267 10 0 DCAERN COCCOCc1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000360395144 416388065 /nfs/dbraw/zinc/38/80/65/416388065.db2.gz OFYFUAVEQSOPER-AWEZNQCLSA-N 0 0 321.377 0.732 10 0 DCAERN CCc1ccccc1NC(=O)CNC(=O)CN1CC(=O)N(C)C1 ZINC000360491828 416393393 /nfs/dbraw/zinc/39/33/93/416393393.db2.gz RRUKJFFCTPOBPT-UHFFFAOYSA-N 0 0 318.377 0.035 10 0 DCAERN CS(=O)(=O)CC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360546425 416395643 /nfs/dbraw/zinc/39/56/43/416395643.db2.gz VODBYWCQLVQEEP-CYBMUJFWSA-N 0 0 313.375 0.337 10 0 DCAERN COc1c(NC(=O)C(=O)NC[C@H]2C[C@H]2C)cccc1C(N)=O ZINC000360577099 416397533 /nfs/dbraw/zinc/39/75/33/416397533.db2.gz XIOWVZLJGKMMGW-RKDXNWHRSA-N 0 0 305.334 0.505 10 0 DCAERN Cc1nc(NC(=O)[C@H](C)N(C)Cc2nnnn2C)sc1C ZINC000533024288 416470467 /nfs/dbraw/zinc/47/04/67/416470467.db2.gz RVLTVGGFVZULFX-QMMMGPOBSA-N 0 0 309.399 0.742 10 0 DCAERN Cc1csc2nc(CN(C)Cc3nnnn3C)cc(=O)n12 ZINC000533023654 416471243 /nfs/dbraw/zinc/47/12/43/416471243.db2.gz MOOXMMVKVZAEDB-UHFFFAOYSA-N 0 0 305.367 0.220 10 0 DCAERN O=S(=O)(c1ccco1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583616345 416478486 /nfs/dbraw/zinc/47/84/86/416478486.db2.gz HUXAWUWWGUFSGG-UTUOFQBUSA-N 0 0 301.364 0.830 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCOC[C@@H]1CCCO1 ZINC000533152360 416479561 /nfs/dbraw/zinc/47/95/61/416479561.db2.gz DOCIVSJGCCZVSH-LBPRGKRZSA-N 0 0 324.381 0.287 10 0 DCAERN Cc1ccccc1C1(C(=O)N2CCC[C@@](O)(C(N)=O)C2)CC1 ZINC000583620912 416480312 /nfs/dbraw/zinc/48/03/12/416480312.db2.gz BTVFDQNMAWIPHS-KRWDZBQOSA-N 0 0 302.374 0.865 10 0 DCAERN O=C(c1cn(-c2ccc(F)cc2)nn1)N1C[C@@H](F)C[C@H]1CO ZINC000583620966 416480418 /nfs/dbraw/zinc/48/04/18/416480418.db2.gz UFDVSLGQDKSBOT-JQWIXIFHSA-N 0 0 308.288 0.951 10 0 DCAERN CCCCOC[C@H](O)CN1CCN(Cc2nc(C)no2)CC1 ZINC000434473803 416482525 /nfs/dbraw/zinc/48/25/25/416482525.db2.gz IIEYDHVOIJCXLL-CQSZACIVSA-N 0 0 312.414 0.673 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000361245072 416427363 /nfs/dbraw/zinc/42/73/63/416427363.db2.gz OOBNMHSAIQKCDS-NWANDNLSSA-N 0 0 320.389 0.566 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151253696 196654959 /nfs/dbraw/zinc/65/49/59/196654959.db2.gz PQTPLSDVVRNAFD-MNOVXSKESA-N 0 0 316.365 0.762 10 0 DCAERN C/C=C/C[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OCC ZINC000361533782 416445046 /nfs/dbraw/zinc/44/50/46/416445046.db2.gz RDALBXXDNZGNAR-DIECRNLCSA-N 0 0 322.361 0.876 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000361546155 416446316 /nfs/dbraw/zinc/44/63/16/416446316.db2.gz RHMHRPBSPHJOEL-KOLCDFICSA-N 0 0 310.375 0.331 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCN(C(=O)C3CC3)CC2)[nH]n1 ZINC000532652248 416447102 /nfs/dbraw/zinc/44/71/02/416447102.db2.gz AKSUWZXCOSTNGQ-LLVKDONJSA-N 0 0 319.409 0.913 10 0 DCAERN CC1(C)C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000582187690 416447814 /nfs/dbraw/zinc/44/78/14/416447814.db2.gz KHHSLWUKMNCQGF-GFCCVEGCSA-N 0 0 309.410 0.367 10 0 DCAERN C/C=C\C[C@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC ZINC000361563121 416448619 /nfs/dbraw/zinc/44/86/19/416448619.db2.gz LCSSKGQZDAWWTH-MZBZXASESA-N 0 0 318.395 0.036 10 0 DCAERN C[C@]1(CNC(=O)NC[C@H](CO)c2ccccc2)CCC(=O)N1 ZINC000459167887 416526056 /nfs/dbraw/zinc/52/60/56/416526056.db2.gz UZMWAYRZVVDOBL-CZUORRHYSA-N 0 0 305.378 0.730 10 0 DCAERN O=S(=O)(c1ccc(NC[C@@H](O)C(F)F)nc1)N1CCCC1 ZINC000435590283 416526945 /nfs/dbraw/zinc/52/69/45/416526945.db2.gz XWUGJMONFRDPDG-SNVBAGLBSA-N 0 0 321.349 0.904 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@@H](N3CCCC3=O)C2)n1 ZINC000535744850 416528155 /nfs/dbraw/zinc/52/81/55/416528155.db2.gz MFHSKJJYRYVAJW-CYBMUJFWSA-N 0 0 305.382 0.717 10 0 DCAERN NC(=O)NC(=O)CCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361985566 416541018 /nfs/dbraw/zinc/54/10/18/416541018.db2.gz MZSXOAJBXGESAO-CQSZACIVSA-N 0 0 321.377 0.741 10 0 DCAERN COC[C@H](O)CN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459508285 416546985 /nfs/dbraw/zinc/54/69/85/416546985.db2.gz IXYKBBVFXSQFJO-LLVKDONJSA-N 0 0 314.407 0.664 10 0 DCAERN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ncn(C)n1 ZINC000362037999 416547707 /nfs/dbraw/zinc/54/77/07/416547707.db2.gz OTRYUAHZONQXLF-JTQLQIEISA-N 0 0 312.370 0.682 10 0 DCAERN COc1ccc(CC(=O)N2CCN(CC[NH+](C)C)CC2)nc1 ZINC000436231540 416552554 /nfs/dbraw/zinc/55/25/54/416552554.db2.gz ZSSYEWWTVZAPDY-UHFFFAOYSA-N 0 0 306.410 0.339 10 0 DCAERN Cn1cc([C@@H](NC(=O)NC[C@@H](O)C(F)F)C(F)(F)F)cn1 ZINC000436383692 416555714 /nfs/dbraw/zinc/55/57/14/416555714.db2.gz BVGOSIQCWQKECJ-RNFRBKRXSA-N 0 0 316.230 0.949 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCO[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000362077213 416555724 /nfs/dbraw/zinc/55/57/24/416555724.db2.gz IVYHUQDKGABQKA-DCAQKATOSA-N 0 0 309.366 0.533 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C(C)=O)C[C@H]1C)[C@@H]1CCCO1 ZINC000434861649 416499738 /nfs/dbraw/zinc/49/97/38/416499738.db2.gz NZAWAOPPPPPADD-XBFCOCLRSA-N 0 0 313.398 0.443 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000541548318 416607821 /nfs/dbraw/zinc/60/78/21/416607821.db2.gz BMOCJXAABJARFD-AAEUAGOBSA-N 0 0 314.345 0.940 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cn3cccnc3n2)O1 ZINC000538227846 416566845 /nfs/dbraw/zinc/56/68/45/416566845.db2.gz KZUIPBWBFVNSGW-PWSUYJOCSA-N 0 0 317.349 0.095 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(OC)n1 ZINC000362658592 416568950 /nfs/dbraw/zinc/56/89/50/416568950.db2.gz RSCZSOGPIBCYOJ-VHSXEESVSA-N 0 0 310.354 0.662 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2c(O)cccc2O)CC1 ZINC000436864634 416571884 /nfs/dbraw/zinc/57/18/84/416571884.db2.gz OPZMJYAMGGEZGS-UHFFFAOYSA-N 0 0 322.361 0.807 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)N(C)[C@@H](C)C[S@](C)=O)s1 ZINC000442019872 416685102 /nfs/dbraw/zinc/68/51/02/416685102.db2.gz DECLPGAWUCVDPF-JKNYTWMOSA-N 0 0 317.436 0.924 10 0 DCAERN O=C(Nc1cncc(F)c1)C(=O)N1CCSC[C@H]1CCO ZINC000440009589 416623987 /nfs/dbraw/zinc/62/39/87/416623987.db2.gz ZIFQTRTWNLQLHJ-LLVKDONJSA-N 0 0 313.354 0.486 10 0 DCAERN CN1CN(C(=O)c2cccc(CNc3ccncn3)c2)CC1=O ZINC000542639887 416625738 /nfs/dbraw/zinc/62/57/38/416625738.db2.gz PDJRPXYHRQMLOZ-UHFFFAOYSA-N 0 0 311.345 0.960 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@@H](CO)CCOC)s1 ZINC000440108885 416627720 /nfs/dbraw/zinc/62/77/20/416627720.db2.gz WMOOIVZDBZUNGO-SECBINFHSA-N 0 0 315.395 0.466 10 0 DCAERN CNc1ncc(C(=O)N2CCN(c3nccnc3C)CC2)s1 ZINC000367151894 416642700 /nfs/dbraw/zinc/64/27/00/416642700.db2.gz CPJDRXPGGBQUOI-UHFFFAOYSA-N 0 0 318.406 1.246 10 0 DCAERN O=C(c1cccc2nccnc21)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000543587995 416642864 /nfs/dbraw/zinc/64/28/64/416642864.db2.gz OBDBSIBGCBQJJD-LLVKDONJSA-N 0 0 311.301 0.006 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000544672662 416658746 /nfs/dbraw/zinc/65/87/46/416658746.db2.gz UYTQRFUHQSPWBO-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN CCN1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C ZINC000441123861 416660889 /nfs/dbraw/zinc/66/08/89/416660889.db2.gz KLXGRWCTFLBIFM-GHMZBOCLSA-N 0 0 321.425 0.917 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000441187439 416662689 /nfs/dbraw/zinc/66/26/89/416662689.db2.gz GVULJALZXYRYTJ-XFNZEKPQSA-N 0 0 322.386 0.587 10 0 DCAERN O=C(Nc1scnc1C1CC1)C(=O)N1CC(n2ccnn2)C1 ZINC000441298476 416669059 /nfs/dbraw/zinc/66/90/59/416669059.db2.gz VVJABLOWTNXQFZ-UHFFFAOYSA-N 0 0 318.362 0.634 10 0 DCAERN COc1cccc(CCNC(=O)NCCN2CCSCC2)n1 ZINC000441456471 416671653 /nfs/dbraw/zinc/67/16/53/416671653.db2.gz IQMVEMNDTRQJNE-UHFFFAOYSA-N 0 0 324.450 0.981 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1ccccc1OCCO ZINC000442144353 416687876 /nfs/dbraw/zinc/68/78/76/416687876.db2.gz DQJRSKOZGRYCAP-YPMHNXCESA-N 0 0 321.377 0.524 10 0 DCAERN O=c1cc(CN2CCN3CCOC[C@@H]3C2)nc2sccn21 ZINC000368819777 416695467 /nfs/dbraw/zinc/69/54/67/416695467.db2.gz XTMGJSWNPFYYDO-LBPRGKRZSA-N 0 0 306.391 0.272 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@H](c2ccnc(N)n2)C1)C(C)C ZINC000551978307 416697050 /nfs/dbraw/zinc/69/70/50/416697050.db2.gz HMWSFGQHJYFLCM-JSGCOSHPSA-N 0 0 319.409 0.926 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@]2(OC)CCOC2)no1 ZINC000442640603 416699145 /nfs/dbraw/zinc/69/91/45/416699145.db2.gz BIRWSWZMIDIKNS-CQSZACIVSA-N 0 0 312.370 0.972 10 0 DCAERN CO[C@H]1CCOc2c(NC(=O)C(=O)N(C)CCCO)cccc21 ZINC000443350929 416754155 /nfs/dbraw/zinc/75/41/55/416754155.db2.gz LHQYPLFIWVIQHV-ZDUSSCGKSA-N 0 0 322.361 0.936 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc(C(F)(F)F)nn2)cn1 ZINC000554529398 416707581 /nfs/dbraw/zinc/70/75/81/416707581.db2.gz JSSBMYJKNBCKNV-UHFFFAOYSA-N 0 0 301.228 1.246 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@@](C)(O)C2)[C@@H]1c1ccccc1 ZINC000368940367 416707937 /nfs/dbraw/zinc/70/79/37/416707937.db2.gz HVWFANZEZJJBLZ-YQQAZPJKSA-N 0 0 318.373 0.568 10 0 DCAERN CO[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000368977201 416711051 /nfs/dbraw/zinc/71/10/51/416711051.db2.gz CTNRJSDGJCQPBA-WCBMZHEXSA-N 0 0 308.338 0.660 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442934677 416721545 /nfs/dbraw/zinc/72/15/45/416721545.db2.gz LKDPJLDRSRETTD-WIUDPPPLSA-N 0 0 308.403 0.832 10 0 DCAERN CN(CCCO)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000443085840 416731242 /nfs/dbraw/zinc/73/12/42/416731242.db2.gz DECPQMWXVIUJCM-UHFFFAOYSA-N 0 0 321.420 0.234 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCc2nc(N)n[nH]2)cc1 ZINC000615021042 416739950 /nfs/dbraw/zinc/73/99/50/416739950.db2.gz CNVLYHHQTXSNBO-UHFFFAOYSA-N 0 0 302.338 0.342 10 0 DCAERN Cc1ncc(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)s1 ZINC000443430716 416756487 /nfs/dbraw/zinc/75/64/87/416756487.db2.gz UBQVTWMVYFCVPW-SECBINFHSA-N 0 0 304.397 0.024 10 0 DCAERN CCCNC(=O)CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369397975 416767430 /nfs/dbraw/zinc/76/74/30/416767430.db2.gz KTOSDBJORFSCOG-HNNXBMFYSA-N 0 0 313.398 0.492 10 0 DCAERN CN1CCN(C(=O)CN2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542331 416794391 /nfs/dbraw/zinc/79/43/91/416794391.db2.gz SGFIANPADCDAPI-MRXNPFEDSA-N 0 0 311.426 0.030 10 0 DCAERN CNS(=O)(=O)c1ccccc1N1CCC[C@H]1Cn1cncn1 ZINC000641357101 416805734 /nfs/dbraw/zinc/80/57/34/416805734.db2.gz WLRMWLGDGRZRTF-LBPRGKRZSA-N 0 0 321.406 0.855 10 0 DCAERN Cc1nc(CN2CCC[C@@H](NS(=O)(=O)CC3CC3)C2)no1 ZINC000370026952 416870810 /nfs/dbraw/zinc/87/08/10/416870810.db2.gz OYZCWVBKOIRAER-GFCCVEGCSA-N 0 0 314.411 0.672 10 0 DCAERN COCc1cc(N2CCN(Cc3nc(C)no3)CC2)ncn1 ZINC000518820966 416878866 /nfs/dbraw/zinc/87/88/66/416878866.db2.gz JCNRZCMWXGXIFV-UHFFFAOYSA-N 0 0 304.354 0.637 10 0 DCAERN Cn1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000560081941 416831281 /nfs/dbraw/zinc/83/12/81/416831281.db2.gz RDECFDLCXDXQIY-CYBMUJFWSA-N 0 0 319.386 0.998 10 0 DCAERN Cn1ccc([C@@H](NCc2nnn(C)n2)c2ccc(F)cc2)n1 ZINC000518045308 416837888 /nfs/dbraw/zinc/83/78/88/416837888.db2.gz SSCRORXHLPAYKS-AWEZNQCLSA-N 0 0 301.329 0.962 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)CCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444551066 416847396 /nfs/dbraw/zinc/84/73/96/416847396.db2.gz QMWURVRDSQVDPX-BONVTDFDSA-N 0 0 315.366 0.803 10 0 DCAERN COCc1cc(NCc2cccc(N3CCOCC3)n2)ncn1 ZINC000564791389 416893868 /nfs/dbraw/zinc/89/38/68/416893868.db2.gz FTTLOZKIEVAGND-UHFFFAOYSA-N 0 0 315.377 1.467 10 0 DCAERN Nc1nccnc1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000518460607 416854974 /nfs/dbraw/zinc/85/49/74/416854974.db2.gz AMZBTVXQQBNBFJ-ZDUSSCGKSA-N 0 0 314.345 0.979 10 0 DCAERN COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000446636644 416935988 /nfs/dbraw/zinc/93/59/88/416935988.db2.gz GUUYBUORNOUHRH-MEDUHNTESA-N 0 0 320.345 0.253 10 0 DCAERN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccnnc1 ZINC000446954888 416954868 /nfs/dbraw/zinc/95/48/68/416954868.db2.gz ULXCHHGDNQSGJS-UHFFFAOYSA-N 0 0 306.347 0.362 10 0 DCAERN COC[C@H]1NC(=O)N([C@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000521747262 417026882 /nfs/dbraw/zinc/02/68/82/417026882.db2.gz RWXWKICEIXLFBD-NEPJUHHUSA-N 0 0 303.318 0.359 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C[C@](C)(O)C2CC2)C1=O ZINC000520476452 416966441 /nfs/dbraw/zinc/96/64/41/416966441.db2.gz HJVJPGTXRZXIJC-LRDDRELGSA-N 0 0 320.393 0.583 10 0 DCAERN CNc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000376647833 417034635 /nfs/dbraw/zinc/03/46/35/417034635.db2.gz AUNNVJHGVYDUEI-OAHLLOKOSA-N 0 0 318.421 1.450 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000632373823 417051879 /nfs/dbraw/zinc/05/18/79/417051879.db2.gz GUGDRMMWBKQIIX-MELADBBJSA-N 0 0 308.378 0.594 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@H]2C(=O)OC(C)C)n1 ZINC000522934611 417071906 /nfs/dbraw/zinc/07/19/06/417071906.db2.gz ZNQPCQIKDZMGMM-NSHDSACASA-N 0 0 311.338 0.837 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000448396743 417074260 /nfs/dbraw/zinc/07/42/60/417074260.db2.gz GHAKBLAUCAIMTI-UHFFFAOYSA-N 0 0 308.382 0.709 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)[C@@H](C)OC ZINC000568055053 417075716 /nfs/dbraw/zinc/07/57/16/417075716.db2.gz HQZUHQVZNIMGJK-GMTAPVOTSA-N 0 0 308.400 0.272 10 0 DCAERN CC(=O)N1CCc2nc3cc([C@@H]4CCC[NH2+]C4)[n-]n3c(=O)c2C1 ZINC000616576699 417081681 /nfs/dbraw/zinc/08/16/81/417081681.db2.gz XJVSKBOSOHEUEU-LLVKDONJSA-N 0 0 315.377 0.807 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](c2cn[nH]n2)C1 ZINC000616594326 417083126 /nfs/dbraw/zinc/08/31/26/417083126.db2.gz OBSVCBWLOGOYOV-LLVKDONJSA-N 0 0 308.363 0.609 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cccnn1 ZINC000616603970 417083625 /nfs/dbraw/zinc/08/36/25/417083625.db2.gz JCJKNMMHMDMHMU-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN CS(=O)(=O)[C@@H]1COCCCN1S(=O)(=O)c1ccccc1 ZINC000616597917 417085431 /nfs/dbraw/zinc/08/54/31/417085431.db2.gz VGXPRSBBNAMBQX-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2ncccn2)C1 ZINC000616601957 417085489 /nfs/dbraw/zinc/08/54/89/417085489.db2.gz JSPUVDZGXDUGDH-ZDUSSCGKSA-N 0 0 304.375 0.812 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1CN(S(N)(=O)=O)CCO1 ZINC000616647389 417086123 /nfs/dbraw/zinc/08/61/23/417086123.db2.gz VWRKDEZGMZAFRS-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN Nc1cc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616642403 417086483 /nfs/dbraw/zinc/08/64/83/417086483.db2.gz JEUBJGCTMTZDAW-LBPRGKRZSA-N 0 0 308.363 0.754 10 0 DCAERN CCOC(=O)c1ccc([C@H]2CN(S(N)(=O)=O)CCO2)cc1 ZINC000616644918 417087273 /nfs/dbraw/zinc/08/72/73/417087273.db2.gz FGCZZJKBLKDIES-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)[nH]n1 ZINC000616643973 417088466 /nfs/dbraw/zinc/08/84/66/417088466.db2.gz LYRGPIJBNUBGLH-LBPRGKRZSA-N 0 0 308.363 0.754 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2ccccc2CCO)C1 ZINC000616661108 417089749 /nfs/dbraw/zinc/08/97/49/417089749.db2.gz WTUOPXMRFWSHQO-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN Nc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)[nH]n1 ZINC000616653297 417090505 /nfs/dbraw/zinc/09/05/05/417090505.db2.gz LFVBOMJXNGPAHH-GFCCVEGCSA-N 0 0 307.379 0.327 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1cccc2ccnnc21 ZINC000616660544 417091539 /nfs/dbraw/zinc/09/15/39/417091539.db2.gz UBFLNBCASMSAKL-LBPRGKRZSA-N 0 0 308.363 0.597 10 0 DCAERN O=C(CN1CCc2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616769950 417108259 /nfs/dbraw/zinc/10/82/59/417108259.db2.gz PWZRPUQQUOXGQW-YSVLISHTSA-N 0 0 312.373 0.736 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)[C@@H]2COC(C)(C)C2)CC1 ZINC000624805492 417116467 /nfs/dbraw/zinc/11/64/67/417116467.db2.gz NOUQIEUVRHUICR-LBPRGKRZSA-N 0 0 304.412 0.484 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN(C3CC3)C(=O)C2)CCCC1 ZINC000407960518 417128566 /nfs/dbraw/zinc/12/85/66/417128566.db2.gz ZUCPGFAROUUTAV-UHFFFAOYSA-N 0 0 314.407 0.177 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCCCNC2=O)C[C@H]1C ZINC000407959195 417126535 /nfs/dbraw/zinc/12/65/35/417126535.db2.gz RGLHKGXRDDRIQS-JRPNMDOOSA-N 0 0 311.382 0.496 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408031383 417132941 /nfs/dbraw/zinc/13/29/41/417132941.db2.gz MOYJOUOXZAZXEU-CQSZACIVSA-N 0 0 318.439 0.566 10 0 DCAERN CN(C)C(=O)C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000408018290 417134559 /nfs/dbraw/zinc/13/45/59/417134559.db2.gz ZUDCLTNQAIDOGG-UHFFFAOYSA-N 0 0 300.366 0.912 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)[C@@]23CCC(=O)N2CCS3)C1 ZINC000525219562 417130158 /nfs/dbraw/zinc/13/01/58/417130158.db2.gz VIKHXFAJMAVPPF-HZMBPMFUSA-N 0 0 312.391 0.464 10 0 DCAERN O=C(CN(C[C@@H]1CCCO1)C(=O)C1=CCOCC1)N1CCCC1 ZINC000568438782 417136836 /nfs/dbraw/zinc/13/68/36/417136836.db2.gz JXXYCQBLFQTHGM-HNNXBMFYSA-N 0 0 322.405 0.963 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCNC1=O ZINC000616960361 417139647 /nfs/dbraw/zinc/13/96/47/417139647.db2.gz CYSQRSRRRMOSQR-AWEZNQCLSA-N 0 0 303.362 0.082 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000431746640 417140888 /nfs/dbraw/zinc/14/08/88/417140888.db2.gz VZOJRVFITMOTQP-NXEZZACHSA-N 0 0 304.372 0.072 10 0 DCAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)[C@@H](C)[C@H](C)O1 ZINC000408443690 417160722 /nfs/dbraw/zinc/16/07/22/417160722.db2.gz OQBGQKRBKSMDKB-VGMNWLOBSA-N 0 0 307.354 0.375 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408151070 417143834 /nfs/dbraw/zinc/14/38/34/417143834.db2.gz YSFSZDFCTVNWDO-SNVBAGLBSA-N 0 0 307.316 0.464 10 0 DCAERN COCc1ncc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c(N)n1 ZINC000408305386 417154616 /nfs/dbraw/zinc/15/46/16/417154616.db2.gz JKQZUCQMWWYXJQ-NEPJUHHUSA-N 0 0 306.366 0.989 10 0 DCAERN CCC1(CC)CN(c2nccn3cnnc23)CCS1(=O)=O ZINC000408364021 417156684 /nfs/dbraw/zinc/15/66/84/417156684.db2.gz FBEARLPBKMLNQK-UHFFFAOYSA-N 0 0 309.395 0.918 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408413704 417158549 /nfs/dbraw/zinc/15/85/49/417158549.db2.gz CXMFPMBLKTUPDG-NEPJUHHUSA-N 0 0 305.382 0.876 10 0 DCAERN Cc1c(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)cnn1C ZINC000568847170 417184257 /nfs/dbraw/zinc/18/42/57/417184257.db2.gz NSMMMULRAKSVKA-NWDGAFQWSA-N 0 0 311.407 0.918 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)c2ccc(F)cc2)C1 ZINC000414210134 417266601 /nfs/dbraw/zinc/26/66/01/417266601.db2.gz TZGBEPFYFZEKBI-JTQLQIEISA-N 0 0 321.395 0.881 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCn3ccnc32)CCCO1 ZINC000569762422 417293114 /nfs/dbraw/zinc/29/31/14/417293114.db2.gz ODNXKEUFJMEHEL-CHWSQXEVSA-N 0 0 320.393 0.514 10 0 DCAERN COc1ccc(N(C)C(=O)[C@H]2CCc3nnnn3CC2)cn1 ZINC000569462734 417257980 /nfs/dbraw/zinc/25/79/80/417257980.db2.gz FZSNCCKBBXVQOA-JTQLQIEISA-N 0 0 302.338 0.692 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000632930863 417297734 /nfs/dbraw/zinc/29/77/34/417297734.db2.gz GBZDHNWESPUTMJ-AGIUHOORSA-N 0 0 300.399 0.272 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)NCc2ccco2)CC12COC2 ZINC000451125518 417301944 /nfs/dbraw/zinc/30/19/44/417301944.db2.gz MWUFYKDWRTVNJZ-ZDUSSCGKSA-N 0 0 322.361 0.407 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141680 417307209 /nfs/dbraw/zinc/30/72/09/417307209.db2.gz VRVWIBOREWBXRC-GFCCVEGCSA-N 0 0 321.377 0.756 10 0 DCAERN COc1cccc(OCCC(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000451183093 417311119 /nfs/dbraw/zinc/31/11/19/417311119.db2.gz JJWRPHGBDIBHEN-UHFFFAOYSA-N 0 0 303.322 0.783 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC3(C)COC3)[C@H]2C1 ZINC000570824473 417397999 /nfs/dbraw/zinc/39/79/99/417397999.db2.gz YZLAGAVYNKGERW-IHRRRGAJSA-N 0 0 309.410 0.969 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC3(C)COC3)[C@@H]2C1 ZINC000570824472 417398129 /nfs/dbraw/zinc/39/81/29/417398129.db2.gz YZLAGAVYNKGERW-BFHYXJOUSA-N 0 0 309.410 0.969 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000633328319 417411779 /nfs/dbraw/zinc/41/17/79/417411779.db2.gz NHWRBLBQOJVTDQ-HIFRSBDPSA-N 0 0 317.345 0.861 10 0 DCAERN NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000622244462 417421187 /nfs/dbraw/zinc/42/11/87/417421187.db2.gz UTWVWILVOBUQDG-NSHDSACASA-N 0 0 321.352 0.610 10 0 DCAERN NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000622244461 417421623 /nfs/dbraw/zinc/42/16/23/417421623.db2.gz UTWVWILVOBUQDG-LLVKDONJSA-N 0 0 321.352 0.610 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)CCc1cnn(C)c1 ZINC000643951399 417422922 /nfs/dbraw/zinc/42/29/22/417422922.db2.gz APSAJQRCOWHKES-HNNXBMFYSA-N 0 0 308.382 0.106 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)CCc1cnn(C)c1 ZINC000643951400 417423250 /nfs/dbraw/zinc/42/32/50/417423250.db2.gz APSAJQRCOWHKES-OAHLLOKOSA-N 0 0 308.382 0.106 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000571225704 417439381 /nfs/dbraw/zinc/43/93/81/417439381.db2.gz VMNOBTPPYIGLSH-UHFFFAOYSA-N 0 0 316.247 0.683 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2(C(=O)C3CC3)CC2)CC12COC2 ZINC000452218442 417459343 /nfs/dbraw/zinc/45/93/43/417459343.db2.gz GEBDSLDBISLTAJ-GFCCVEGCSA-N 0 0 321.373 0.784 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CC12COC2 ZINC000452232442 417459852 /nfs/dbraw/zinc/45/98/52/417459852.db2.gz WNHMFDDMXNTKRY-NSHDSACASA-N 0 0 319.361 0.939 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2snnc2C)CC12COC2 ZINC000452232487 417462372 /nfs/dbraw/zinc/46/23/72/417462372.db2.gz WVCSZKCGUBEGKL-SECBINFHSA-N 0 0 311.363 0.498 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000633677793 417477475 /nfs/dbraw/zinc/47/74/75/417477475.db2.gz QWVBTRUGTJJYAT-NWDGAFQWSA-N 0 0 303.353 0.843 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2cccnc2)CC12COC2 ZINC000454182744 417548657 /nfs/dbraw/zinc/54/86/57/417548657.db2.gz WVMPFRUFATZPPR-ZDUSSCGKSA-N 0 0 319.361 0.803 10 0 DCAERN Cn1cc(-c2c[nH]cc2C(=O)NC[C@H](O)[C@@H]2CCCO2)cn1 ZINC000529764951 417499518 /nfs/dbraw/zinc/49/95/18/417499518.db2.gz HTZNVFKZNFQNKN-KBPBESRZSA-N 0 0 304.350 0.685 10 0 DCAERN CCc1noc(COC2CN(C(=O)C[C@](C)(O)C3CC3)C2)n1 ZINC000644220595 417500181 /nfs/dbraw/zinc/50/01/81/417500181.db2.gz OLKJSGGIANBWDD-HNNXBMFYSA-N 0 0 309.366 0.911 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000627775297 417501318 /nfs/dbraw/zinc/50/13/18/417501318.db2.gz FZQSGQWJFOHEDB-ZIAGYGMSSA-N 0 0 320.345 0.484 10 0 DCAERN O=C(c1ncsc1Br)N1CCNC(=O)CC1 ZINC000575080664 417508386 /nfs/dbraw/zinc/50/83/86/417508386.db2.gz XVGKPWRCJRTFGO-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN CN(Cc1cccnc1)C1CN(S(=O)(=O)c2cccnc2)C1 ZINC000575313045 417526712 /nfs/dbraw/zinc/52/67/12/417526712.db2.gz UNSQQSYKDBGPNM-UHFFFAOYSA-N 0 0 318.402 0.982 10 0 DCAERN CNC(=O)[C@@H](C)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000530966665 417600267 /nfs/dbraw/zinc/60/02/67/417600267.db2.gz ITSAMBDTQRETCG-BFVZDQMLSA-N 0 0 316.423 0.436 10 0 DCAERN COc1ccc(Cl)cc1NC(=O)CN1CCOC[C@@H]1CO ZINC000168821174 545878974 /nfs/dbraw/zinc/87/89/74/545878974.db2.gz BUHSAWZKLUBCFW-NSHDSACASA-N 0 0 314.769 0.980 10 0 DCAERN CC[C@](COC)(NC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)OC ZINC000457259519 417698427 /nfs/dbraw/zinc/69/84/27/417698427.db2.gz FSZWHBSRLIQCHG-CQSZACIVSA-N 0 0 312.322 0.499 10 0 DCAERN CCCN(CCC)S(=O)(=O)N[C@H]1CCN(C(=O)NCC)C1 ZINC000531856203 417643725 /nfs/dbraw/zinc/64/37/25/417643725.db2.gz DBIIWXHTCNDJSL-LBPRGKRZSA-N 0 0 320.459 0.747 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000531863733 417644491 /nfs/dbraw/zinc/64/44/91/417644491.db2.gz UCEBJIBRMYPCSX-OLZOCXBDSA-N 0 0 324.425 0.411 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000456398928 417645731 /nfs/dbraw/zinc/64/57/31/417645731.db2.gz SQLAPBKUPGQTFA-DVOMOZLQSA-N 0 0 308.378 0.267 10 0 DCAERN Cn1cc(Br)cc1C(=O)N[C@H]1CCOC[C@@H]1O ZINC000629228161 417762122 /nfs/dbraw/zinc/76/21/22/417762122.db2.gz ORSCSASWCDXUEY-WPRPVWTQSA-N 0 0 303.156 0.667 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458135648 417723683 /nfs/dbraw/zinc/72/36/83/417723683.db2.gz KESASSNAKZNGTD-MNOVXSKESA-N 0 0 324.768 0.876 10 0 DCAERN CC[C@H](C)Oc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccn1 ZINC000458139635 417725909 /nfs/dbraw/zinc/72/59/09/417725909.db2.gz MUJLNENGCGBYDG-AAEUAGOBSA-N 0 0 319.365 0.641 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000664267566 418106927 /nfs/dbraw/zinc/10/69/27/418106927.db2.gz LGWVTUNQWYLUJA-NEPJUHHUSA-N 0 0 319.404 0.314 10 0 DCAERN C[C@@H](O)CCN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000450234853 287441883 /nfs/dbraw/zinc/44/18/83/287441883.db2.gz VHPQWEUFBUOWIL-CZUORRHYSA-N 0 0 320.389 0.884 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)Cc1cn(C)nc1C ZINC000450244122 287442165 /nfs/dbraw/zinc/44/21/65/287442165.db2.gz MMLIEKULJRVLLB-AWEZNQCLSA-N 0 0 324.425 0.565 10 0 DCAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000665259049 418190615 /nfs/dbraw/zinc/19/06/15/418190615.db2.gz SWUJRFILKSZGJS-DGCLKSJQSA-N 0 0 306.366 0.329 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@@H](CC)O1 ZINC000487128566 287532489 /nfs/dbraw/zinc/53/24/89/287532489.db2.gz NLXGGOWVAXVJSM-NNYUYHANSA-N 0 0 314.382 0.517 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCO[C@H](C)C1 ZINC000487133694 287532704 /nfs/dbraw/zinc/53/27/04/287532704.db2.gz FUMGMVMTUFXDFU-RHYQMDGZSA-N 0 0 314.382 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)C[C@@H](C)CC ZINC000487335639 287534843 /nfs/dbraw/zinc/53/48/43/287534843.db2.gz KCIWGHUHZWNJJK-DCAQKATOSA-N 0 0 322.427 0.408 10 0 DCAERN CCCCCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000487334865 287534846 /nfs/dbraw/zinc/53/48/46/287534846.db2.gz MLHGZRCFDQRDKO-WDEREUQCSA-N 0 0 322.427 0.552 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC000488305600 287549270 /nfs/dbraw/zinc/54/92/70/287549270.db2.gz FHNKYTUHLGOCAC-NXEZZACHSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000488131993 287546407 /nfs/dbraw/zinc/54/64/07/287546407.db2.gz HFMIMLZVPAHPSS-ZJUUUORDSA-N 0 0 324.381 0.223 10 0 DCAERN Cc1noc(CCNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 ZINC000299422887 229109176 /nfs/dbraw/zinc/10/91/76/229109176.db2.gz FBFHJDQHDZRRHB-QWRGUYRKSA-N 0 0 320.349 0.212 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)NC3CC=CC3)C2)n1 ZINC000299739539 229372617 /nfs/dbraw/zinc/37/26/17/229372617.db2.gz PUCKXBHREWQUSU-NSHDSACASA-N 0 0 304.354 0.442 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000299750607 229392616 /nfs/dbraw/zinc/39/26/16/229392616.db2.gz OAVVYJDKVSQQQJ-NWDGAFQWSA-N 0 0 301.350 0.421 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CCC([C@H](O)C(N)=O)CC1 ZINC000299751309 229395609 /nfs/dbraw/zinc/39/56/09/229395609.db2.gz QHLQYCDXQWQVIA-RISCZKNCSA-N 0 0 311.426 0.382 10 0 DCAERN Cn1ccnc1CN1CCN(c2ncnc(N)c2Cl)CC1 ZINC000302052741 230067025 /nfs/dbraw/zinc/06/70/25/230067025.db2.gz OYEVLZXCKQEFKN-UHFFFAOYSA-N 0 0 307.789 0.768 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000179248317 261111875 /nfs/dbraw/zinc/11/18/75/261111875.db2.gz XXCYTQZHAKXOHT-QWRGUYRKSA-N 0 0 314.411 0.786 10 0 DCAERN Cc1nc(C(=O)NCc2ccc(CO)c(F)c2)c(=O)[nH]c1C ZINC000179600039 261113183 /nfs/dbraw/zinc/11/31/83/261113183.db2.gz DFBKKPCODQVBCG-UHFFFAOYSA-N 0 0 305.309 0.948 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1=O ZINC000186788903 261121898 /nfs/dbraw/zinc/12/18/98/261121898.db2.gz WUCVBUAGPKTJQA-LBPRGKRZSA-N 0 0 310.398 0.117 10 0 DCAERN NC(=O)c1coc(CNC(=O)Cc2ccc3c(c2)OCO3)c1 ZINC000186687317 261121990 /nfs/dbraw/zinc/12/19/90/261121990.db2.gz DHCUNXIXIRATSZ-UHFFFAOYSA-N 0 0 302.286 0.966 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)c1nnc2n1CCCC2 ZINC000187204714 261122541 /nfs/dbraw/zinc/12/25/41/261122541.db2.gz UKDKSGRFHWTKPC-GHMZBOCLSA-N 0 0 320.397 0.548 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@@H]1CCC(C)(C)O1)c2=O ZINC000187377693 261123998 /nfs/dbraw/zinc/12/39/98/261123998.db2.gz HFXCUUIJRKGKKM-JTQLQIEISA-N 0 0 319.365 0.204 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1cc(C(N)=O)co1)C1CCCC1 ZINC000187839261 261124625 /nfs/dbraw/zinc/12/46/25/261124625.db2.gz BJMVGBHGVFOLKM-CYBMUJFWSA-N 0 0 307.350 0.690 10 0 DCAERN COc1ccccc1C(=O)C(=O)NCc1cc(C(N)=O)co1 ZINC000187882525 261124690 /nfs/dbraw/zinc/12/46/90/261124690.db2.gz PAXWZXIIEUSEQH-UHFFFAOYSA-N 0 0 302.286 0.886 10 0 DCAERN CO[C@H]1CN(C(=O)CSc2nnnn2C2CC2)CC[C@@H]1C ZINC000188001973 261126110 /nfs/dbraw/zinc/12/61/10/261126110.db2.gz PSYYDIJMGVVBST-ONGXEEELSA-N 0 0 311.411 0.984 10 0 DCAERN Cc1noc([C@@H](C)N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189189348 261130694 /nfs/dbraw/zinc/13/06/94/261130694.db2.gz FUXGUTBGSXZOKJ-VHSXEESVSA-N 0 0 306.374 0.341 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000191158405 261136499 /nfs/dbraw/zinc/13/64/99/261136499.db2.gz WJXBAJUWXHWKHP-CQSZACIVSA-N 0 0 315.373 0.766 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192941700 261139974 /nfs/dbraw/zinc/13/99/74/261139974.db2.gz YDNAIRQBITYDTC-VIFPVBQESA-N 0 0 323.374 0.656 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000194256185 261145910 /nfs/dbraw/zinc/14/59/10/261145910.db2.gz PBEUGZBWUVWACK-MEDUHNTESA-N 0 0 313.357 0.642 10 0 DCAERN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c(C)o1 ZINC000194826682 261148180 /nfs/dbraw/zinc/14/81/80/261148180.db2.gz HXPBVGQTDZGQDI-LBPRGKRZSA-N 0 0 319.361 0.317 10 0 DCAERN Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CNC(=O)C3)cn2)n1 ZINC000194809231 261148567 /nfs/dbraw/zinc/14/85/67/261148567.db2.gz KIQMVKIUSUPENK-ZDUSSCGKSA-N 0 0 313.361 0.636 10 0 DCAERN CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000195199912 261150784 /nfs/dbraw/zinc/15/07/84/261150784.db2.gz LQMKTNWROROGGK-GFCCVEGCSA-N 0 0 312.391 0.975 10 0 DCAERN COc1nc(N2CCC[C@@](O)(CO)C2)ncc1Br ZINC000313643403 261174188 /nfs/dbraw/zinc/17/41/88/261174188.db2.gz SLGLNIWTTJKVAN-NSHDSACASA-N 0 0 318.171 0.571 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000354304069 261202441 /nfs/dbraw/zinc/20/24/41/261202441.db2.gz VLOSYZTUUFWPMR-HUUCEWRRSA-N 0 0 319.361 0.243 10 0 DCAERN C[C@@](O)(CO)CNC(=O)Cc1ccccc1Br ZINC000355276236 261324943 /nfs/dbraw/zinc/32/49/43/261324943.db2.gz HDYVSWQFYMLKIR-LBPRGKRZSA-N 0 0 302.168 0.851 10 0 DCAERN C[C@H](CNC(=O)CCOc1ccccc1F)S(N)(=O)=O ZINC000355661720 261355712 /nfs/dbraw/zinc/35/57/12/261355712.db2.gz GSTOGWHFXGEWCT-SECBINFHSA-N 0 0 304.343 0.388 10 0 DCAERN COC(=O)c1ccc(C(=O)NC[C@@H](C)N2CCCCC2=O)nc1 ZINC000356974218 261489911 /nfs/dbraw/zinc/48/99/11/261489911.db2.gz GXTJHETZLDZVRS-LLVKDONJSA-N 0 0 319.361 0.999 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]23CCOC3)c1 ZINC000357329634 261528720 /nfs/dbraw/zinc/52/87/20/261528720.db2.gz FFJFOLBILFMNEU-OAHLLOKOSA-N 0 0 324.402 0.990 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000357651270 261566776 /nfs/dbraw/zinc/56/67/76/261566776.db2.gz LAQRYMYTAUNSGT-NWDGAFQWSA-N 0 0 310.398 0.260 10 0 DCAERN O=C(NCCNC(=O)C1CC1)NCc1ccc2cc[nH]c2n1 ZINC000357665906 261568257 /nfs/dbraw/zinc/56/82/57/261568257.db2.gz PVXAKOSDOFTJKQ-UHFFFAOYSA-N 0 0 301.350 0.888 10 0 DCAERN COC(=O)c1cn([C@@H]2CCCN([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033297 261617225 /nfs/dbraw/zinc/61/72/25/261617225.db2.gz DJFBIMSOWPVLMJ-DGCLKSJQSA-N 0 0 322.365 0.653 10 0 DCAERN COC(=O)[C@@H](NCCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC000358841307 261705424 /nfs/dbraw/zinc/70/54/24/261705424.db2.gz VCBPIZFCBZMFIY-AWEZNQCLSA-N 0 0 306.362 0.966 10 0 DCAERN Cc1ccc(SCCNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360503632 261839759 /nfs/dbraw/zinc/83/97/59/261839759.db2.gz LUXAHUIEPRDZNT-UHFFFAOYSA-N 0 0 307.419 0.935 10 0 DCAERN CN(C(=O)NCc1ccc2cc[nH]c2n1)[C@@H]1CCN(C)C1=O ZINC000360700417 261864580 /nfs/dbraw/zinc/86/45/80/261864580.db2.gz MDZGORSMAVNIBQ-GFCCVEGCSA-N 0 0 301.350 0.935 10 0 DCAERN C[C@H]1OCC[C@]1(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711935 261865510 /nfs/dbraw/zinc/86/55/10/261865510.db2.gz HNKAMXPOGIKSFG-BMIGLBTASA-N 0 0 304.350 0.902 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000361546156 261936939 /nfs/dbraw/zinc/93/69/39/261936939.db2.gz RHMHRPBSPHJOEL-MWLCHTKSSA-N 0 0 310.375 0.331 10 0 DCAERN O=C(NCCNC(=O)c1ccnc2ccncc21)c1ccn[nH]1 ZINC000361904619 261975552 /nfs/dbraw/zinc/97/55/52/261975552.db2.gz FANGFGDYRXXCEA-UHFFFAOYSA-N 0 0 310.317 0.513 10 0 DCAERN COC[C@](C)(NC(=O)CCCS(C)(=O)=O)C(F)(F)F ZINC000362201405 262008880 /nfs/dbraw/zinc/00/88/80/262008880.db2.gz GKFJTPJJQGSSOC-VIFPVBQESA-N 0 0 305.318 0.895 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](OC)C(C)C)c1 ZINC000362651758 262056080 /nfs/dbraw/zinc/05/60/80/262056080.db2.gz IWBXDXQLKNCTMH-CYBMUJFWSA-N 0 0 314.407 0.996 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(OCC)ncn1 ZINC000362665703 262058012 /nfs/dbraw/zinc/05/80/12/262058012.db2.gz PCWQRERSDGWJHS-UWVGGRQHSA-N 0 0 310.354 0.744 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000362730290 262066151 /nfs/dbraw/zinc/06/61/51/262066151.db2.gz GQHYYONFBNTNOI-YUSALJHKSA-N 0 0 302.396 0.382 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@](C)(O)C3CCC3)CC2)[nH]1 ZINC000362813731 262075769 /nfs/dbraw/zinc/07/57/69/262075769.db2.gz MUZYVESUBGYPLH-OAHLLOKOSA-N 0 0 307.398 0.308 10 0 DCAERN Cn1cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1C(N)=O ZINC000362917884 262087380 /nfs/dbraw/zinc/08/73/80/262087380.db2.gz LKMGOYDDLFTLMR-MRVPVSSYSA-N 0 0 321.349 0.980 10 0 DCAERN COC[C@@H](O)CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000363128590 262100138 /nfs/dbraw/zinc/10/01/38/262100138.db2.gz SKJJGQFPQJBGJI-AWEZNQCLSA-N 0 0 302.378 0.692 10 0 DCAERN O=C(c1ncn(-c2ccccc2)n1)N1CCN2CCOC[C@@H]2C1 ZINC000363815340 262132108 /nfs/dbraw/zinc/13/21/08/262132108.db2.gz FMFOYBGZSGOTFQ-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN O=C(Cc1[nH]nc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000363857004 262134985 /nfs/dbraw/zinc/13/49/85/262134985.db2.gz PHYITTBSAPTQCV-LBPRGKRZSA-N 0 0 300.362 0.648 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000357054921 271040221 /nfs/dbraw/zinc/04/02/21/271040221.db2.gz QOFOFQKWZDTARY-MWLCHTKSSA-N 0 0 318.345 0.863 10 0 DCAERN CNC(=O)c1ccc(CNC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000358551060 271057530 /nfs/dbraw/zinc/05/75/30/271057530.db2.gz XWDDIRXPQHZVMF-AWEZNQCLSA-N 0 0 305.378 0.864 10 0 DCAERN CN(C)C(=O)CNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000358791134 271073265 /nfs/dbraw/zinc/07/32/65/271073265.db2.gz NBJZHNHVBLUBCH-NSHDSACASA-N 0 0 307.350 0.604 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)CNCC(F)(F)F)no1 ZINC000359498011 271121352 /nfs/dbraw/zinc/12/13/52/271121352.db2.gz VWWNSTZWLRXEAR-SSDOTTSWSA-N 0 0 310.276 0.935 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)Nc1cccc(CCCO)c1 ZINC000359609902 271131395 /nfs/dbraw/zinc/13/13/95/271131395.db2.gz ZLXDGWCOCUSIEM-UHFFFAOYSA-N 0 0 319.361 0.882 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(CCCO)c1 ZINC000359603924 271131605 /nfs/dbraw/zinc/13/16/05/271131605.db2.gz CPHNUOKHOYPMRM-SNVBAGLBSA-N 0 0 300.380 0.488 10 0 DCAERN C[C@](NC(=O)c1cccc2ncnn21)(C(N)=O)c1ccccc1 ZINC000359649937 271139141 /nfs/dbraw/zinc/13/91/41/271139141.db2.gz WSABYMJHXJZXEJ-MRXNPFEDSA-N 0 0 309.329 0.860 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000359768023 271141179 /nfs/dbraw/zinc/14/11/79/271141179.db2.gz OMTZZDCVBOEZHU-AAEUAGOBSA-N 0 0 315.373 0.684 10 0 DCAERN CO[C@]1(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000359785907 271142410 /nfs/dbraw/zinc/14/24/10/271142410.db2.gz DQTCBGWNUTXAGT-WBMJQRKESA-N 0 0 306.362 0.727 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@H](CO)[C@H]2CCOC2)cn1 ZINC000361267134 271176104 /nfs/dbraw/zinc/17/61/04/271176104.db2.gz QPZPMKDKQGULJX-WCQYABFASA-N 0 0 323.393 0.582 10 0 DCAERN C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000398790397 271218918 /nfs/dbraw/zinc/21/89/18/271218918.db2.gz RQEYILOEKKTDCF-BDAKNGLRSA-N 0 0 307.803 0.713 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N(C)CC(N)=O)sc2C1 ZINC000434945671 271550921 /nfs/dbraw/zinc/55/09/21/271550921.db2.gz FAFORBQRMNCLNL-SSDOTTSWSA-N 0 0 310.379 0.150 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000436412883 271592223 /nfs/dbraw/zinc/59/22/23/271592223.db2.gz PRGWOFZJXQGUFJ-MRXNPFEDSA-N 0 0 315.329 0.337 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000440712510 271656527 /nfs/dbraw/zinc/65/65/27/271656527.db2.gz LSGYXWHXHAUBLO-QWRGUYRKSA-N 0 0 301.350 0.811 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442270683 271666099 /nfs/dbraw/zinc/66/60/99/271666099.db2.gz KZPUNHUYPBUTDE-ZDUSSCGKSA-N 0 0 319.361 0.033 10 0 DCAERN CC(=O)Nc1cc(NC(=O)C(=O)N(C)CCCO)ccc1C ZINC000443263420 271704390 /nfs/dbraw/zinc/70/43/90/271704390.db2.gz AMMLTJIJSSNSOV-UHFFFAOYSA-N 0 0 307.350 0.733 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@](C)(O)C1CCCCC1 ZINC000447771966 271800831 /nfs/dbraw/zinc/80/08/31/271800831.db2.gz GLGBONHPADRNHQ-FZMZJTMJSA-N 0 0 320.455 0.714 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCOc1ccccc1 ZINC000447904074 271805485 /nfs/dbraw/zinc/80/54/85/271805485.db2.gz OVXYUZZXEYQJRZ-KRWDZBQOSA-N 0 0 316.357 0.795 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cc(C)n[nH]2)CC12COC2 ZINC000452264248 271912762 /nfs/dbraw/zinc/91/27/62/271912762.db2.gz NWPMDFWSDUXDJK-GFCCVEGCSA-N 0 0 307.350 0.299 10 0 DCAERN CO[C@@H]1COCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000452628497 271920607 /nfs/dbraw/zinc/92/06/07/271920607.db2.gz FHOHIUDQFAMYPT-AEGPPILISA-N 0 0 320.389 0.973 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C[C@H]1O ZINC000453957883 271933092 /nfs/dbraw/zinc/93/30/92/271933092.db2.gz BCJFTZBWBUECDR-CHWSQXEVSA-N 0 0 320.345 0.168 10 0 DCAERN CS[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458125534 271942865 /nfs/dbraw/zinc/94/28/65/271942865.db2.gz BNAJCUOZKOJSKV-CHWSQXEVSA-N 0 0 306.391 0.860 10 0 DCAERN Cc1cccc(C2(C(=O)NC[C@H](O)Cn3ccnn3)CC2)c1 ZINC000458125476 271943162 /nfs/dbraw/zinc/94/31/62/271943162.db2.gz BLHUEOWSYLOUHW-AWEZNQCLSA-N 0 0 300.362 0.795 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458127908 271943594 /nfs/dbraw/zinc/94/35/94/271943594.db2.gz NKPJPVDITFSNFK-CHWSQXEVSA-N 0 0 304.350 0.531 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C(=O)c1ccc2c(c1)CCC2 ZINC000458151630 271944623 /nfs/dbraw/zinc/94/46/23/271944623.db2.gz WPEMRZKJEOEPKV-CQSZACIVSA-N 0 0 314.345 0.127 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459264210 271988932 /nfs/dbraw/zinc/98/89/32/271988932.db2.gz ZIMSIJXCIHTLSN-NOOOWODRSA-N 0 0 313.398 0.786 10 0 DCAERN CN(C)C(=O)COC1CN(Cc2ccc(-n3cncn3)cc2)C1 ZINC000459591500 272002039 /nfs/dbraw/zinc/00/20/39/272002039.db2.gz LEWKFQVDRGOWAE-UHFFFAOYSA-N 0 0 315.377 0.556 10 0 DCAERN O=C(C(=O)N1CCO[C@@H](COc2ccccc2)C1)N1CCCC1 ZINC000459803762 272009917 /nfs/dbraw/zinc/00/99/17/272009917.db2.gz KNGHJSNHZZJCNP-OAHLLOKOSA-N 0 0 318.373 0.915 10 0 DCAERN CC(=O)N(C)c1ccccc1NCc1cc(=O)n(C)c(=O)n1C ZINC000487357680 272041039 /nfs/dbraw/zinc/04/10/39/272041039.db2.gz KARWWLYSPVWDEH-UHFFFAOYSA-N 0 0 316.361 0.679 10 0 DCAERN O=C(NC[C@H](O)C(F)F)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000489235341 272058403 /nfs/dbraw/zinc/05/84/03/272058403.db2.gz UGHWQJXYZBASAS-MNOVXSKESA-N 0 0 313.304 0.717 10 0 DCAERN CC(=O)N[C@H](C(=O)NC[C@@H](CO)c1cccnc1)C1CCCC1 ZINC000490393706 272074132 /nfs/dbraw/zinc/07/41/32/272074132.db2.gz KLKQZSOSDQSRIY-HOTGVXAUSA-N 0 0 319.405 0.969 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C\c2ccnc(Cl)c2)C1 ZINC000492744291 272146892 /nfs/dbraw/zinc/14/68/92/272146892.db2.gz QDSGZJWMTOVYHK-IHWYPQMZSA-N 0 0 309.753 0.722 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449048 272222655 /nfs/dbraw/zinc/22/26/55/272222655.db2.gz XQGDNCNOXPSQJG-OLZOCXBDSA-N 0 0 313.442 0.859 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCCSC ZINC000495204106 272240627 /nfs/dbraw/zinc/24/06/27/272240627.db2.gz UEBZICMVJHCUKP-UWVGGRQHSA-N 0 0 319.427 0.495 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](CO)[C@@H]1C)CC2 ZINC000495194106 272240849 /nfs/dbraw/zinc/24/08/49/272240849.db2.gz RAAJERVZPGSWOM-QJPTWQEYSA-N 0 0 307.398 0.568 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CC1(C)C ZINC000495249822 272242792 /nfs/dbraw/zinc/24/27/92/272242792.db2.gz HTKWVYACJMIHHH-GARJFASQSA-N 0 0 313.398 0.788 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000530514075 272744049 /nfs/dbraw/zinc/74/40/49/272744049.db2.gz QGSLNKIQBDAGOV-IJLUTSLNSA-N 0 0 304.412 0.820 10 0 DCAERN NCc1nc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cs1 ZINC000238028872 274953775 /nfs/dbraw/zinc/95/37/75/274953775.db2.gz YLFCYVCZODSMKB-LBPRGKRZSA-N 0 0 316.386 0.654 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](NC(N)=O)C1)CO2 ZINC000535707406 287836928 /nfs/dbraw/zinc/83/69/28/287836928.db2.gz GLMSPPPMJWSMFO-ZYHUDNBSSA-N 0 0 304.350 0.881 10 0 DCAERN CC1=C(C(=O)N[C@@H]2CCC(=O)N(C)C2)[C@H](C)n2ncnc2N1C ZINC000195273918 275903247 /nfs/dbraw/zinc/90/32/47/275903247.db2.gz WOAKWNDUVRNPKI-WDEREUQCSA-N 0 0 318.381 0.300 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2CCO)C1 ZINC000536647882 287860446 /nfs/dbraw/zinc/86/04/46/287860446.db2.gz LLVQTWVVSQSMOD-MNOVXSKESA-N 0 0 301.412 0.104 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cncc(C(=O)OC)c2)C1 ZINC000537008454 287862691 /nfs/dbraw/zinc/86/26/91/287862691.db2.gz FLABINNPHOGNGV-GFCCVEGCSA-N 0 0 320.349 0.402 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NS(C)(=O)=O)c1 ZINC000266886286 276948819 /nfs/dbraw/zinc/94/88/19/276948819.db2.gz HRQGVYIVTZRLRO-SECBINFHSA-N 0 0 313.379 0.546 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000173038478 276955541 /nfs/dbraw/zinc/95/55/41/276955541.db2.gz LRNAPCJRXHLJSO-JMSVASOKSA-N 0 0 311.426 0.467 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2CO)C1 ZINC000132419581 277007979 /nfs/dbraw/zinc/00/79/79/277007979.db2.gz UKDMZXMMMLVQSR-GOEBONIOSA-N 0 0 317.389 0.909 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1 ZINC000408052136 277068360 /nfs/dbraw/zinc/06/83/60/277068360.db2.gz NWEISGSJTYEFFU-KGLIPLIRSA-N 0 0 316.361 0.883 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)CCC1=O ZINC000120531164 277202718 /nfs/dbraw/zinc/20/27/18/277202718.db2.gz AYUCWPDVFTYOTF-SNVBAGLBSA-N 0 0 311.288 0.640 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000408429869 277329270 /nfs/dbraw/zinc/32/92/70/277329270.db2.gz ZYEKGDMUCYOUFQ-QWHCGFSZSA-N 0 0 324.425 0.553 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408178149 277951016 /nfs/dbraw/zinc/95/10/16/277951016.db2.gz OZAZCCNBUDDVKL-JHJVBQTASA-N 0 0 320.411 0.020 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408064955 278007280 /nfs/dbraw/zinc/00/72/80/278007280.db2.gz MUPZUUPGORCAMW-JJXSEGSLSA-N 0 0 324.421 0.776 10 0 DCAERN Cc1c(-c2cc(CN(C)Cc3nnnn3C)on2)cnn1C ZINC000545938133 288007353 /nfs/dbraw/zinc/00/73/53/288007353.db2.gz QNHVNCKPZCPKCO-UHFFFAOYSA-N 0 0 302.342 0.539 10 0 DCAERN CCc1nncn1CCNC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000545968865 288008559 /nfs/dbraw/zinc/00/85/59/288008559.db2.gz PGWZOYRGGZMDGV-JTQLQIEISA-N 0 0 305.386 0.802 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2nnnn2C)C1 ZINC000408209004 278148568 /nfs/dbraw/zinc/14/85/68/278148568.db2.gz AXAMMCIABMYPDC-BDAKNGLRSA-N 0 0 306.292 0.242 10 0 DCAERN COCC[C@@H]1COCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000366081655 292655322 /nfs/dbraw/zinc/65/53/22/292655322.db2.gz BRIXWSCKSUIQME-SECBINFHSA-N 0 0 323.802 0.500 10 0 DCAERN CC(=O)O[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000002573045 278222226 /nfs/dbraw/zinc/22/22/26/278222226.db2.gz QZKDRLZSJSWQPS-IYKVGLELSA-N 0 0 302.323 0.946 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(N)=S)cc2)CCS1(=O)=O ZINC000281578412 288028644 /nfs/dbraw/zinc/02/86/44/288028644.db2.gz MRFXBUBWZIQURC-SECBINFHSA-N 0 0 312.416 0.580 10 0 DCAERN CC(C)(C)NC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066893451 278357562 /nfs/dbraw/zinc/35/75/62/278357562.db2.gz FXVDFEVPECYRDB-ZDUSSCGKSA-N 0 0 311.426 0.614 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000547438938 288045747 /nfs/dbraw/zinc/04/57/47/288045747.db2.gz WTABSHOMTPQKFQ-JQWIXIFHSA-N 0 0 316.427 0.251 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000368561876 278535606 /nfs/dbraw/zinc/53/56/06/278535606.db2.gz MFDYSNBRMZYCDI-OUAUKWLOSA-N 0 0 304.412 0.340 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(Cn2cccn2)cc1 ZINC000547731581 288073222 /nfs/dbraw/zinc/07/32/22/288073222.db2.gz HKRXPUXWHHKPEF-UHFFFAOYSA-N 0 0 314.345 0.729 10 0 DCAERN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000547835902 288083350 /nfs/dbraw/zinc/08/33/50/288083350.db2.gz FSKPGLMRCDSWLV-QPSCCSFWSA-N 0 0 315.410 0.816 10 0 DCAERN Cc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)ncn1 ZINC000547846504 288084423 /nfs/dbraw/zinc/08/44/23/288084423.db2.gz VFJHUDWECHMQBG-UHFFFAOYSA-N 0 0 313.361 0.947 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCOC2(C)C)C1 ZINC000263430785 279059041 /nfs/dbraw/zinc/05/90/41/279059041.db2.gz YVBIFBKULWIQDY-HTAVTVPLSA-N 0 0 313.398 0.791 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)C1 ZINC000192157979 279318841 /nfs/dbraw/zinc/31/88/41/279318841.db2.gz JGJPTRBSWFIANI-OLZOCXBDSA-N 0 0 317.455 0.547 10 0 DCAERN CC(C)N(C)C(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000408427663 279324029 /nfs/dbraw/zinc/32/40/29/279324029.db2.gz QDWNWLBLUOVHAD-OLZOCXBDSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@H](NC(=O)NCC(=O)NC1CCCCC1)c1ncn(C)n1 ZINC000548367719 288136196 /nfs/dbraw/zinc/13/61/96/288136196.db2.gz SGZRESNXKBHTON-JTQLQIEISA-N 0 0 308.386 0.624 10 0 DCAERN Cc1ccc(OCCNC(=O)CN2CCOCC2=O)c(C)c1 ZINC000548714859 288169880 /nfs/dbraw/zinc/16/98/80/288169880.db2.gz YPNASFPAANANDH-UHFFFAOYSA-N 0 0 306.362 0.657 10 0 DCAERN Cc1ccccc1O[C@H](C)CNC(=O)CN1CCOCC1=O ZINC000548717430 288170126 /nfs/dbraw/zinc/17/01/26/288170126.db2.gz RUFHQMPPWSRCKA-CYBMUJFWSA-N 0 0 306.362 0.737 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000548869881 288183269 /nfs/dbraw/zinc/18/32/69/288183269.db2.gz SHUHUTCMWDFNSJ-GFCCVEGCSA-N 0 0 316.365 0.374 10 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306.428 0.684 10 0 DCAERN CC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)OCCCO1 ZINC000191085572 520725674 /nfs/dbraw/zinc/72/56/74/520725674.db2.gz JPBMOBZAZHBRBO-LBPRGKRZSA-N 0 0 322.361 0.897 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000156723279 520764158 /nfs/dbraw/zinc/76/41/58/520764158.db2.gz QJKJPTBCLVRYJT-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)s1 ZINC000190634598 521447313 /nfs/dbraw/zinc/44/73/13/521447313.db2.gz BAWMJAWCDVNDFQ-JTQLQIEISA-N 0 0 324.406 0.771 10 0 DCAERN COC(=O)c1cc(CN2CCS(=O)(=O)[C@@H](C)C2)oc1C ZINC000155503689 521843676 /nfs/dbraw/zinc/84/36/76/521843676.db2.gz NDTGLAJUKLQGSU-VIFPVBQESA-N 0 0 301.364 0.994 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1Cc1noc(C2CC2)n1)N1CCOCC1 ZINC000299746461 534599539 /nfs/dbraw/zinc/59/95/39/534599539.db2.gz XOQWCUMJSFTTPW-NEPJUHHUSA-N 0 0 324.356 0.718 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[C@H](OC)C2)C1 ZINC000364988956 522231606 /nfs/dbraw/zinc/23/16/06/522231606.db2.gz XOSFHSVJMROPCZ-SDDRHHMPSA-N 0 0 319.427 0.277 10 0 DCAERN CCc1nc(C2(NC(=O)C3CN(C(C)=O)C3)CCCC2)no1 ZINC000188543087 522241654 /nfs/dbraw/zinc/24/16/54/522241654.db2.gz KOTQFYFPWDWPLI-UHFFFAOYSA-N 0 0 306.366 0.996 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCC2(c3ccccc3)CC2)C1 ZINC000188280225 522757797 /nfs/dbraw/zinc/75/77/97/522757797.db2.gz QGRYYDOMJZFPDY-UHFFFAOYSA-N 0 0 317.389 0.875 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2c(C)noc2C)C1 ZINC000185480542 522759180 /nfs/dbraw/zinc/75/91/80/522759180.db2.gz VHZXNUJRGLRONE-SECBINFHSA-N 0 0 324.381 0.379 10 0 DCAERN CN(CCO)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188369980 522876074 /nfs/dbraw/zinc/87/60/74/522876074.db2.gz QOYUOKFSIDUFMU-CYBMUJFWSA-N 0 0 309.341 0.560 10 0 DCAERN COc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F ZINC000190464980 522894951 /nfs/dbraw/zinc/89/49/51/522894951.db2.gz XPKITWRMSIBLBS-UHFFFAOYSA-N 0 0 318.370 0.133 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000118434729 523034658 /nfs/dbraw/zinc/03/46/58/523034658.db2.gz FMHPSJPGBODOTO-LLVKDONJSA-N 0 0 315.395 0.492 10 0 DCAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC(C)(C)C)C1=O ZINC000126834065 523630313 /nfs/dbraw/zinc/63/03/13/523630313.db2.gz RMEVTLJPPHZBHU-OAHLLOKOSA-N 0 0 321.381 0.492 10 0 DCAERN COc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000266134631 523674225 /nfs/dbraw/zinc/67/42/25/523674225.db2.gz DRMGOTXKQDKOJC-JSGCOSHPSA-N 0 0 305.378 0.883 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158073745 523724606 /nfs/dbraw/zinc/72/46/06/523724606.db2.gz SMWFNOFHARFZIO-BZUAXINKSA-N 0 0 319.405 0.966 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000188748538 523906189 /nfs/dbraw/zinc/90/61/89/523906189.db2.gz MIFGYMRBFZYEQB-LBPRGKRZSA-N 0 0 322.292 0.673 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000367623358 523981168 /nfs/dbraw/zinc/98/11/68/523981168.db2.gz NNPQGEVPJQVDTH-UHFFFAOYSA-N 0 0 323.372 0.531 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000189586095 523997704 /nfs/dbraw/zinc/99/77/04/523997704.db2.gz AHJMFVLGFDMGLZ-ZIAGYGMSSA-N 0 0 320.349 0.573 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCC1=O ZINC000131090678 524024009 /nfs/dbraw/zinc/02/40/09/524024009.db2.gz WNYUHSWUZROGBW-CHWSQXEVSA-N 0 0 318.377 0.003 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cn1 ZINC000246361339 524076336 /nfs/dbraw/zinc/07/63/36/524076336.db2.gz KCCUIZVIQQGPNE-YNEHKIRRSA-N 0 0 321.381 0.708 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000190634679 524082117 /nfs/dbraw/zinc/08/21/17/524082117.db2.gz VSEZKEQNKDFDCC-VIFPVBQESA-N 0 0 324.406 0.942 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000246094763 524102125 /nfs/dbraw/zinc/10/21/25/524102125.db2.gz AICWCJVBJYTHGG-JSGCOSHPSA-N 0 0 317.455 0.416 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000364221454 524123561 /nfs/dbraw/zinc/12/35/61/524123561.db2.gz XCCIRENMGNULKD-RYUDHWBXSA-N 0 0 313.427 0.318 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187988710 524130526 /nfs/dbraw/zinc/13/05/26/524130526.db2.gz ILOZMRJAZUIGRJ-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@@H](C(=O)NCc1cccs1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000155725261 524216168 /nfs/dbraw/zinc/21/61/68/524216168.db2.gz FMXJPRXQDKIDGL-QWRGUYRKSA-N 0 0 316.448 0.872 10 0 DCAERN Cc1cc(C)c(NC(=O)C(=O)N2CCNC(=O)CC2)c(C)c1 ZINC000133713159 524278512 /nfs/dbraw/zinc/27/85/12/524278512.db2.gz YCDJJBYMXMKYHZ-UHFFFAOYSA-N 0 0 303.362 0.899 10 0 DCAERN COc1ccccc1-n1cc(S(=O)(=O)N2CC(CO)C2)cn1 ZINC000185758890 524306404 /nfs/dbraw/zinc/30/64/04/524306404.db2.gz NPTNRKKOTJSBOG-UHFFFAOYSA-N 0 0 323.374 0.494 10 0 DCAERN C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CCC1=O ZINC000186577505 524473538 /nfs/dbraw/zinc/47/35/38/524473538.db2.gz YIHWMBMFDJASRJ-LBPRGKRZSA-N 0 0 324.402 0.745 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000156923897 524497313 /nfs/dbraw/zinc/49/73/13/524497313.db2.gz PGWFHUJNQACQDO-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC000156727606 524575536 /nfs/dbraw/zinc/57/55/36/524575536.db2.gz YRQAIODDRCEXRH-YPMHNXCESA-N 0 0 305.378 0.915 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000185768345 524673509 /nfs/dbraw/zinc/67/35/09/524673509.db2.gz UDFRUAYDZNFILZ-HOGDKLEQSA-N 0 0 318.420 0.173 10 0 DCAERN Cc1cccc(OC[C@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000247356844 524763597 /nfs/dbraw/zinc/76/35/97/524763597.db2.gz LZGMDQAJLMYTRO-UONOGXRCSA-N 0 0 313.419 0.854 10 0 DCAERN C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132289686 524905495 /nfs/dbraw/zinc/90/54/95/524905495.db2.gz CTEIOFMCOBQCHI-XJKSGUPXSA-N 0 0 324.396 0.814 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)nc1 ZINC000157851965 524941111 /nfs/dbraw/zinc/94/11/11/524941111.db2.gz BIEUZTWNIFFIII-LBPRGKRZSA-N 0 0 302.378 0.611 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000266682511 524948831 /nfs/dbraw/zinc/94/88/31/524948831.db2.gz RLDZHPBDGAYSDR-STQMWFEESA-N 0 0 303.370 0.910 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000124423749 525042713 /nfs/dbraw/zinc/04/27/13/525042713.db2.gz FBMVBEXWAXYCMZ-MRVPVSSYSA-N 0 0 313.304 0.346 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000162693950 525045299 /nfs/dbraw/zinc/04/52/99/525045299.db2.gz YVKAEJPUKANPNX-OXHZDVMGSA-N 0 0 318.439 0.888 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN3C)C2=O)n(C)n1 ZINC000266315141 525066273 /nfs/dbraw/zinc/06/62/73/525066273.db2.gz FJYZEZFMFNDOKV-OLZOCXBDSA-N 0 0 319.409 0.434 10 0 DCAERN C[C@@H](NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1)c1ccccc1 ZINC000246997403 525110132 /nfs/dbraw/zinc/11/01/32/525110132.db2.gz IGSWJRSLFUTPQP-QWHCGFSZSA-N 0 0 310.419 0.983 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)N(C)C ZINC000191804426 525131766 /nfs/dbraw/zinc/13/17/66/525131766.db2.gz PNNCVRRFXKJKEP-SUHUHFCYSA-N 0 0 318.377 0.194 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)Cc1cnc2ccccc2c1 ZINC000129338293 525188509 /nfs/dbraw/zinc/18/85/09/525188509.db2.gz VUONCQFVYMRHNX-UHFFFAOYSA-N 0 0 321.402 0.833 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000125041966 525211801 /nfs/dbraw/zinc/21/18/01/525211801.db2.gz DGKAXTKJEGBOHC-SSDOTTSWSA-N 0 0 322.308 0.868 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153761420 525390421 /nfs/dbraw/zinc/39/04/21/525390421.db2.gz NRTLTYKTWMYKTC-NXEZZACHSA-N 0 0 302.338 0.501 10 0 DCAERN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000129263480 525489644 /nfs/dbraw/zinc/48/96/44/525489644.db2.gz PVAZHFBLTCBINJ-NWDGAFQWSA-N 0 0 324.402 0.410 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000120355962 525516330 /nfs/dbraw/zinc/51/63/30/525516330.db2.gz RSJPUUOMOIUUGD-GXSJLCMTSA-N 0 0 318.420 0.586 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)cc1F ZINC000249451573 525543453 /nfs/dbraw/zinc/54/34/53/525543453.db2.gz MKGKTTHTUXLLFL-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)Cn1cnc2ccccc2c1=O ZINC000126918147 525817800 /nfs/dbraw/zinc/81/78/00/525817800.db2.gz LIEREUMCGQHWNJ-GWCFXTLKSA-N 0 0 321.402 0.625 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@](O)(C(N)=O)C2)c1 ZINC000285254990 534891858 /nfs/dbraw/zinc/89/18/58/534891858.db2.gz ZGUDHQGWOPFQDT-QLJPJBMISA-N 0 0 319.361 0.138 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188021282 526380945 /nfs/dbraw/zinc/38/09/45/526380945.db2.gz CHNIJBUQICRXPJ-UHFFFAOYSA-N 0 0 322.390 0.517 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000180425476 526457577 /nfs/dbraw/zinc/45/75/77/526457577.db2.gz DFPZNJUNMRHAPD-AAEUAGOBSA-N 0 0 304.412 0.643 10 0 DCAERN CC(=O)N1CC(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)C1 ZINC000188253205 526513466 /nfs/dbraw/zinc/51/34/66/526513466.db2.gz GZAHTISHFCEWNK-UONOGXRCSA-N 0 0 312.435 0.978 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000156895944 526562967 /nfs/dbraw/zinc/56/29/67/526562967.db2.gz NDDATHDSBDRJJH-ZYHUDNBSSA-N 0 0 308.300 0.771 10 0 DCAERN CC(=O)N1CCN(C(=O)CN[C@@H](CO)c2ccsc2)CC1 ZINC000331027692 526610890 /nfs/dbraw/zinc/61/08/90/526610890.db2.gz XKEKUUWSOXHYAQ-ZDUSSCGKSA-N 0 0 311.407 0.062 10 0 DCAERN O=C(NCc1ccccc1Cl)C1CC2(C1)NC(=O)NC2=O ZINC000154586795 526745184 /nfs/dbraw/zinc/74/51/84/526745184.db2.gz SEBXHYZYFDNWKC-UHFFFAOYSA-N 0 0 307.737 0.944 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H](CCO)c1ccco1 ZINC000187827327 526867505 /nfs/dbraw/zinc/86/75/05/526867505.db2.gz WELPFFXSAQTDGF-LBPRGKRZSA-N 0 0 303.318 0.644 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CNC(=O)C1 ZINC000157105818 526918819 /nfs/dbraw/zinc/91/88/19/526918819.db2.gz DHKRYKCAXGFHMN-CHWSQXEVSA-N 0 0 307.394 0.420 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CNc2ccc3c(c2)C(=O)NC3)C1 ZINC000154831105 526962738 /nfs/dbraw/zinc/96/27/38/526962738.db2.gz VNJQMRTZTYQOGF-LLVKDONJSA-N 0 0 316.361 0.066 10 0 DCAERN NC(=O)[C@@H]1Cc2ccccc2N1CCCNC(=O)C(F)(F)F ZINC000154888541 526985129 /nfs/dbraw/zinc/98/51/29/526985129.db2.gz ZQRGBWQBBDWJHK-NSHDSACASA-N 0 0 315.295 0.972 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cn1 ZINC000366291996 527038671 /nfs/dbraw/zinc/03/86/71/527038671.db2.gz NRUPSBRDRBYOHX-GFCCVEGCSA-N 0 0 312.329 0.869 10 0 DCAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121193712 527135716 /nfs/dbraw/zinc/13/57/16/527135716.db2.gz DYPUPFNUBPKAMI-CYBMUJFWSA-N 0 0 314.345 0.999 10 0 DCAERN O=Cc1cccc(OCC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189410506 527152467 /nfs/dbraw/zinc/15/24/67/527152467.db2.gz XUTNBRNNPKVEBJ-UHFFFAOYSA-N 0 0 302.330 0.615 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CCN(C)C(=O)C2)c(C(F)(F)F)n1 ZINC000156159733 527212554 /nfs/dbraw/zinc/21/25/54/527212554.db2.gz WBQUQIZKJHLXDX-MRVPVSSYSA-N 0 0 318.299 0.924 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@]12CCOC2=O ZINC000186471104 527348006 /nfs/dbraw/zinc/34/80/06/527348006.db2.gz RHODTTWNKQUDTI-MRXNPFEDSA-N 0 0 315.329 0.638 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000163493087 527419692 /nfs/dbraw/zinc/41/96/92/527419692.db2.gz QZMMSAFOYSYPJY-OLZOCXBDSA-N 0 0 316.361 0.524 10 0 DCAERN Nc1ccnc(CNC(=O)[C@@H]2CCCN2c2nccs2)n1 ZINC000154036282 527534024 /nfs/dbraw/zinc/53/40/24/527534024.db2.gz NSDHADBDMBPATB-VIFPVBQESA-N 0 0 304.379 0.801 10 0 DCAERN O=C(NC1CN(S(=O)(=O)Cc2ccccc2F)C1)C1CC1 ZINC000187917130 527543621 /nfs/dbraw/zinc/54/36/21/527543621.db2.gz MXRHOOAOWOUEKC-UHFFFAOYSA-N 0 0 312.366 0.866 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2F)C1)C1CC1 ZINC000187918093 527543821 /nfs/dbraw/zinc/54/38/21/527543821.db2.gz SVMZXIYCVFYJMB-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN Cn1nccc1CCC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000126715961 527600973 /nfs/dbraw/zinc/60/09/73/527600973.db2.gz DQUQNGVXHKOIJT-OAHLLOKOSA-N 0 0 306.410 0.676 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000187844261 527773482 /nfs/dbraw/zinc/77/34/82/527773482.db2.gz BXSLOXDWXULPFC-KWQFWETISA-N 0 0 311.304 0.562 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N(CCO)Cc2ccccc2)C1=O ZINC000302791015 527784649 /nfs/dbraw/zinc/78/46/49/527784649.db2.gz DIWNYCXLBAAGNE-UHFFFAOYSA-N 0 0 319.361 0.338 10 0 DCAERN CCN(CC(=O)OC)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000299321439 527939195 /nfs/dbraw/zinc/93/91/95/527939195.db2.gz IFUYDCWMESIOOO-NSHDSACASA-N 0 0 320.345 0.138 10 0 DCAERN CC(C)CNC(=O)[C@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176566035 528058337 /nfs/dbraw/zinc/05/83/37/528058337.db2.gz BBRNBXFQRWZSOC-FVINQWEUSA-N 0 0 301.416 0.663 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000330904855 528243217 /nfs/dbraw/zinc/24/32/17/528243217.db2.gz CYRJLHLOQRWJGB-VXGBXAGGSA-N 0 0 305.444 0.700 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1cccnc1 ZINC000188987654 528365926 /nfs/dbraw/zinc/36/59/26/528365926.db2.gz YUOXNGDBBIILTE-CYBMUJFWSA-N 0 0 318.377 0.185 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CC(=O)N(CC)C2)s1 ZINC000190870128 528648892 /nfs/dbraw/zinc/64/88/92/528648892.db2.gz XXEGBKQMGBQYAN-UHFFFAOYSA-N 0 0 310.379 0.682 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCCn1ccnn1 ZINC000187797227 528657542 /nfs/dbraw/zinc/65/75/42/528657542.db2.gz FRTRSXWFHDHRCS-SECBINFHSA-N 0 0 309.292 0.623 10 0 DCAERN CC(C)Cn1ncnc1CN1CCS(=O)(=O)C(C)(C)C1 ZINC000182843319 528762140 /nfs/dbraw/zinc/76/21/40/528762140.db2.gz AQRASSORVPEWIS-UHFFFAOYSA-N 0 0 300.428 0.943 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000400295984 528806858 /nfs/dbraw/zinc/80/68/58/528806858.db2.gz QOZQTBSJQQDPFW-UPJWGTAASA-N 0 0 318.439 0.420 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408396461 528830822 /nfs/dbraw/zinc/83/08/22/528830822.db2.gz PLYMURYKBIFZQO-WOPDTQHZSA-N 0 0 304.412 0.198 10 0 DCAERN CC1(C)CCC[C@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000176614100 528991365 /nfs/dbraw/zinc/99/13/65/528991365.db2.gz DFIMETSTGQLTFX-WDEREUQCSA-N 0 0 303.428 0.898 10 0 DCAERN CC1(C)CN(C(=O)c2ncncc2Cl)CCS1(=O)=O ZINC000177326264 529111329 /nfs/dbraw/zinc/11/13/29/529111329.db2.gz ABAQFXFMQSDKMR-UHFFFAOYSA-N 0 0 303.771 0.779 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCOC[C@H]2C(=O)OC)c1 ZINC000457608267 536879727 /nfs/dbraw/zinc/87/97/27/536879727.db2.gz IZXKNBYXBMFAPM-ZDUSSCGKSA-N 0 0 321.329 0.796 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)C2)C[C@@H](C)O1 ZINC000051894753 545654294 /nfs/dbraw/zinc/65/42/94/545654294.db2.gz MSVXRXCVSOVLFZ-JHJVBQTASA-N 0 0 306.428 0.435 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592784 545649955 /nfs/dbraw/zinc/64/99/55/545649955.db2.gz QJGDNMAAQRIQSK-DTWKUNHWSA-N 0 0 315.370 0.682 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000074890371 545672511 /nfs/dbraw/zinc/67/25/11/545672511.db2.gz XMEJPWIFECJORA-UHFFFAOYSA-N 0 0 301.346 0.250 10 0 DCAERN C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1CC(=O)NC1=O ZINC000083003943 545695996 /nfs/dbraw/zinc/69/59/96/545695996.db2.gz OHMZSQFNZOHDQW-NSHDSACASA-N 0 0 316.361 0.405 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1N[C@H]1CCC(=O)N(C)C1 ZINC000084089020 545698699 /nfs/dbraw/zinc/69/86/99/545698699.db2.gz NZGHNQSTZUZWFV-NSHDSACASA-N 0 0 311.407 0.970 10 0 DCAERN CC(C)(CNS(=O)(=O)c1ccccc1N)S(C)(=O)=O ZINC000093521119 545725208 /nfs/dbraw/zinc/72/52/08/545725208.db2.gz MCUSSJLCRXWZMT-UHFFFAOYSA-N 0 0 306.409 0.370 10 0 DCAERN NC(=O)C1(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000119551786 545739960 /nfs/dbraw/zinc/73/99/60/545739960.db2.gz HJFKXNUQBXEIKS-WDEREUQCSA-N 0 0 302.330 0.695 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000132027484 545792493 /nfs/dbraw/zinc/79/24/93/545792493.db2.gz RSPGURUCRPHXNG-WOPDTQHZSA-N 0 0 308.386 0.400 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000133188503 545797817 /nfs/dbraw/zinc/79/78/17/545797817.db2.gz RDNOPSIZOSLPNX-GHMZBOCLSA-N 0 0 306.428 0.324 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)CC[C@H]1CCCO1 ZINC000154181521 545835497 /nfs/dbraw/zinc/83/54/97/545835497.db2.gz PGGQJIAIDUYYFV-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000157135617 545849825 /nfs/dbraw/zinc/84/98/25/545849825.db2.gz BYLJXELXDCFFGZ-STQMWFEESA-N 0 0 304.412 0.486 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CN2CCOC[C@@H]2CO)c1 ZINC000168859331 545879374 /nfs/dbraw/zinc/87/93/74/545879374.db2.gz YOCNZOMTBBDICS-ZDUSSCGKSA-N 0 0 314.407 0.130 10 0 DCAERN CN1CCO[C@H](C(=O)NCCc2cc(F)cc3c2OCOC3)C1 ZINC000174626940 545885833 /nfs/dbraw/zinc/88/58/33/545885833.db2.gz GIAAJQXTXZEXCO-AWEZNQCLSA-N 0 0 324.352 0.682 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)NCCc1cc(F)ccc1F ZINC000177116590 545890846 /nfs/dbraw/zinc/89/08/46/545890846.db2.gz QVRROAVMOMSDHM-LLVKDONJSA-N 0 0 311.288 0.612 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)n1 ZINC000178778146 545896713 /nfs/dbraw/zinc/89/67/13/545896713.db2.gz TXOYQKWWIHAJOO-NSHDSACASA-N 0 0 307.398 0.855 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)C(=O)N1CCCC[C@@H]1C ZINC000182411009 545905000 /nfs/dbraw/zinc/90/50/00/545905000.db2.gz CHXANMWRPKBZPQ-QWHCGFSZSA-N 0 0 322.413 0.757 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000183521292 545908335 /nfs/dbraw/zinc/90/83/35/545908335.db2.gz CJPNPLKMCGAUPH-LBPRGKRZSA-N 0 0 303.370 0.981 10 0 DCAERN Cn1ncc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1N ZINC000184553510 545910897 /nfs/dbraw/zinc/91/08/97/545910897.db2.gz GOFLDNVEOLIRDH-CYBMUJFWSA-N 0 0 313.361 0.928 10 0 DCAERN CCOc1cnc(C(=O)N2CCN([C@@H](CC)CO)CC2)cn1 ZINC000186989560 545914710 /nfs/dbraw/zinc/91/47/10/545914710.db2.gz OBOJDASCNWSMQC-LBPRGKRZSA-N 0 0 308.382 0.404 10 0 DCAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1ccccn1 ZINC000188904316 545919355 /nfs/dbraw/zinc/91/93/55/545919355.db2.gz SHOHPXJMSOIJMA-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN CCOc1cnc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000189421655 545921039 /nfs/dbraw/zinc/92/10/39/545921039.db2.gz XKWLJOHVDZBJLZ-LBPRGKRZSA-N 0 0 317.349 0.613 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)O1 ZINC000189645435 545921694 /nfs/dbraw/zinc/92/16/94/545921694.db2.gz CITAIMDVBYSWTK-RYUDHWBXSA-N 0 0 318.439 0.874 10 0 DCAERN O=C(NC[C@H]1CC[C@@H](O)C1)Nc1cnn(-c2ncccn2)c1 ZINC000189703731 545921982 /nfs/dbraw/zinc/92/19/82/545921982.db2.gz JRPNXWJOSNOWKN-CMPLNLGQSA-N 0 0 302.338 0.945 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000193565001 545931046 /nfs/dbraw/zinc/93/10/46/545931046.db2.gz NYYLPUNYOXTHRR-HUUCEWRRSA-N 0 0 324.421 0.920 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)c1ccn(C)c1C ZINC000195110378 545932972 /nfs/dbraw/zinc/93/29/72/545932972.db2.gz XDBOQHMUMKAAIR-UHFFFAOYSA-N 0 0 301.412 0.735 10 0 DCAERN Cc1nnc(NC(=O)c2cc(N3CCOCC3)ncn2)s1 ZINC000238878319 545959945 /nfs/dbraw/zinc/95/99/45/545959945.db2.gz OPTQWHMCCMCDAW-UHFFFAOYSA-N 0 0 306.351 0.725 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000319605234 546031448 /nfs/dbraw/zinc/03/14/48/546031448.db2.gz YQKIFWCAKZGNPD-INIZCTEOSA-N 0 0 306.337 0.696 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCCN1CCOC[C@H]1C ZINC000332787898 546059777 /nfs/dbraw/zinc/05/97/77/546059777.db2.gz OQBNQDNLFNTJHY-NEPJUHHUSA-N 0 0 315.439 0.135 10 0 DCAERN O=C(NC1CN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)C1)C1CCC1 ZINC000332847958 546063942 /nfs/dbraw/zinc/06/39/42/546063942.db2.gz JCSCYLNVAIIHBY-MRVWCRGKSA-N 0 0 308.378 0.165 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000332936059 546066362 /nfs/dbraw/zinc/06/63/62/546066362.db2.gz BNIQWLKYSGJBHH-JXQTWKCFSA-N 0 0 321.421 0.808 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)N1C[C@H](F)C[C@@H]1CO)CC2 ZINC000333026484 546069924 /nfs/dbraw/zinc/06/99/24/546069924.db2.gz GMHFYUXDMFODGF-QJPTWQEYSA-N 0 0 311.361 0.263 10 0 DCAERN C[C@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333318845 546076910 /nfs/dbraw/zinc/07/69/10/546076910.db2.gz AQWXPNALLRCLHY-ASEORRQLSA-N 0 0 308.382 0.662 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCC(=O)N1 ZINC000333602711 546086305 /nfs/dbraw/zinc/08/63/05/546086305.db2.gz CZGLBGWQGRZYHV-APHBMKBZSA-N 0 0 309.410 0.992 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](F)C3)C2=O)cn1 ZINC000333984181 546097278 /nfs/dbraw/zinc/09/72/78/546097278.db2.gz FHDUPPXEZWITGI-CMPLNLGQSA-N 0 0 309.345 0.669 10 0 DCAERN CCc1ccc(CCNC(=O)C(=O)NCc2ccn(C)n2)cc1 ZINC000358231952 546192031 /nfs/dbraw/zinc/19/20/31/546192031.db2.gz LJQBSAUQZOTWDA-UHFFFAOYSA-N 0 0 314.389 0.958 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000398522482 546223719 /nfs/dbraw/zinc/22/37/19/546223719.db2.gz SGAYPWDGTVJRLK-QMMMGPOBSA-N 0 0 301.343 0.165 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000401900861 546225990 /nfs/dbraw/zinc/22/59/90/546225990.db2.gz QIGVLPHGJMIQOB-ZDUSSCGKSA-N 0 0 306.428 0.436 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000401869008 546226124 /nfs/dbraw/zinc/22/61/24/546226124.db2.gz ASITZMXUEFKKMI-CHWSQXEVSA-N 0 0 306.428 0.436 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405274483 546228628 /nfs/dbraw/zinc/22/86/28/546228628.db2.gz QQWQBQCZTNBLNE-NWDGAFQWSA-N 0 0 300.355 0.265 10 0 DCAERN COc1ccc(NC(=O)N2C[C@@H](OC)[C@H](c3cn[nH]n3)C2)nc1 ZINC000666656345 546494094 /nfs/dbraw/zinc/49/40/94/546494094.db2.gz ORTQTMGKQNCLFK-CMPLNLGQSA-N 0 0 318.337 0.855 10 0 DCAERN COc1ncc(Cl)c(N2CC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000671466013 547218847 /nfs/dbraw/zinc/21/88/47/547218847.db2.gz FBOXNZAXSNLUNU-LBPRGKRZSA-N 0 0 310.745 0.372 10 0 DCAERN O=S1(=O)C[C@H](O)[C@@H](Oc2cnn(Cc3ccccc3)c2)C1 ZINC000675060710 547658858 /nfs/dbraw/zinc/65/88/58/547658858.db2.gz MQWWTKOTVRSWRF-KBPBESRZSA-N 0 0 308.359 0.468 10 0 DCAERN COC(=O)Nc1nc2cc(S(=O)(=O)C[C@H](C)O)ccc2[nH]1 ZINC000005115849 560200717 /nfs/dbraw/zinc/20/07/17/560200717.db2.gz HXRHOFREEVMBGY-ZETCQYMHSA-N 0 0 313.335 0.318 10 0 in-vitro DCAERN CCNS(=O)(=O)CCNc1ncncc1Br ZINC000222989213 661146087 /nfs/dbraw/zinc/14/60/87/661146087.db2.gz ZENSAOUWQFMFOP-UHFFFAOYSA-N 0 0 309.189 0.590 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ncc[nH]2)n(C)c1=O ZINC000888095032 661164442 /nfs/dbraw/zinc/16/44/42/661164442.db2.gz PVHLLABRFWZMSR-GHMZBOCLSA-N 0 0 318.381 0.373 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000228553375 661270216 /nfs/dbraw/zinc/27/02/16/661270216.db2.gz WNVGDUFWVLPGQW-MRVPVSSYSA-N 0 0 307.803 0.855 10 0 DCAERN COc1cc(C)c(S(=O)(=O)N[C@H]2CNOC2)cc1OC ZINC000722502031 661282616 /nfs/dbraw/zinc/28/26/16/661282616.db2.gz VHCACKYBHXTSPR-VIFPVBQESA-N 0 0 302.352 0.194 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CNOC2)ccc1Br ZINC000722501453 661281923 /nfs/dbraw/zinc/28/19/23/661281923.db2.gz PPIIMUSLMBIQTP-MRVPVSSYSA-N 0 0 321.196 0.939 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC[C@H]1C(N)=O ZINC000255095749 657468732 /nfs/dbraw/zinc/46/87/32/657468732.db2.gz NQWSMBDNHQYDHC-JQWIXIFHSA-N 0 0 305.382 0.164 10 0 DCAERN C=CCNC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC000049582081 657522872 /nfs/dbraw/zinc/52/28/72/657522872.db2.gz DGJJVFPYDXLFQG-UHFFFAOYSA-N 0 0 301.302 0.242 10 0 DCAERN COC[C@H]1CN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CCO1 ZINC000255370597 657526898 /nfs/dbraw/zinc/52/68/98/657526898.db2.gz ZVVMMTJCMOGFGP-GXTWGEPZSA-N 0 0 322.409 0.562 10 0 DCAERN CCc1cnc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000234188851 657974892 /nfs/dbraw/zinc/97/48/92/657974892.db2.gz ALTOHDJNSRMWRP-VIFPVBQESA-N 0 0 317.436 0.098 10 0 DCAERN CCN(Cc1cccs1)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725026088 658029035 /nfs/dbraw/zinc/02/90/35/658029035.db2.gz ZBGWFFDWULXOKV-GFCCVEGCSA-N 0 0 316.448 0.873 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H](CCO)C1CCCC1 ZINC000725033738 658039420 /nfs/dbraw/zinc/03/94/20/658039420.db2.gz SFKZOCZXOCFCGJ-YPMHNXCESA-N 0 0 303.424 0.869 10 0 DCAERN CN(C(=O)C[C@H]1CNCCS1(=O)=O)c1ccc(F)cc1 ZINC000725061456 658096251 /nfs/dbraw/zinc/09/62/51/658096251.db2.gz PRUMVXOHVJSYSM-LBPRGKRZSA-N 0 0 300.355 0.565 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)csc2C)CCO1 ZINC000725088315 658132573 /nfs/dbraw/zinc/13/25/73/658132573.db2.gz DDVZEPBYZNXOKL-JTQLQIEISA-N 0 0 319.404 0.927 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)NC/C=C\c2ccccc2)CC1 ZINC000255603156 658216586 /nfs/dbraw/zinc/21/65/86/658216586.db2.gz GZDPBFSGNVAQJZ-DAXSKMNVSA-N 0 0 323.418 0.732 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)C(=O)c3cccc(F)c32)C1 ZINC000084925251 658281688 /nfs/dbraw/zinc/28/16/88/658281688.db2.gz MSLLZUGAUGZRLB-LLVKDONJSA-N 0 0 319.336 0.913 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285516256 658328164 /nfs/dbraw/zinc/32/81/64/658328164.db2.gz MYNZAOSFVPGWLR-ZQIUZPCESA-N 0 0 302.374 0.937 10 0 DCAERN O=S(=O)(c1ccc(N2CCO[C@H](CO)C2)cc1)C(F)F ZINC000094267453 658424605 /nfs/dbraw/zinc/42/46/05/658424605.db2.gz GJPXGGNIDKIKHD-JTQLQIEISA-N 0 0 307.318 0.880 10 0 DCAERN CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000757191436 658653681 /nfs/dbraw/zinc/65/36/81/658653681.db2.gz BEPNQDBNIAPQGS-UHFFFAOYSA-N 0 0 312.391 0.643 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1C ZINC000300695903 658673386 /nfs/dbraw/zinc/67/33/86/658673386.db2.gz RQIVPTUZLPFBEQ-SFYZADRCSA-N 0 0 321.786 0.503 10 0 DCAERN CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)C1(C)C ZINC000888078745 658723856 /nfs/dbraw/zinc/72/38/56/658723856.db2.gz SUOOFQNSBGVABW-COMQUAJESA-N 0 0 324.421 0.813 10 0 DCAERN COC[C@](C)(CCO)NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255355755 658807684 /nfs/dbraw/zinc/80/76/84/658807684.db2.gz FTVJKUQQOFMQFL-LRDDRELGSA-N 0 0 324.425 0.592 10 0 DCAERN CNC(=O)[C@H](NC(=O)N(C)Cc1ncc(Cl)n1C)C(C)C ZINC000181570867 665616976 /nfs/dbraw/zinc/61/69/76/665616976.db2.gz DEKATRZGCQZSRT-LLVKDONJSA-N 0 0 315.805 0.986 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000178125258 658879360 /nfs/dbraw/zinc/87/93/60/658879360.db2.gz GAAKRMMXPJUSMO-QGZVFWFLSA-N 0 0 316.357 0.753 10 0 DCAERN CCOC(=O)C[C@@H](O)Cn1cncc(Br)c1=O ZINC000166912645 659269916 /nfs/dbraw/zinc/26/99/16/659269916.db2.gz KJYDJXNHKPFLSJ-SSDOTTSWSA-N 0 0 305.128 0.320 10 0 DCAERN O=C(Cc1cn2cc(F)ccc2n1)NCCN1CCOCC1 ZINC000075303641 659298645 /nfs/dbraw/zinc/29/86/45/659298645.db2.gz SNYBMCZVROACTP-UHFFFAOYSA-N 0 0 306.341 0.464 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000190831559 659375015 /nfs/dbraw/zinc/37/50/15/659375015.db2.gz HUXXWJJOEDQBPY-SSDOTTSWSA-N 0 0 305.256 0.926 10 0 DCAERN O=S(=O)(NCCc1ccc(OC(F)F)cc1)C1C[NH2+]C1 ZINC000722226143 659386750 /nfs/dbraw/zinc/38/67/50/659386750.db2.gz YRMGAGSYTQPMSJ-UHFFFAOYSA-N 0 0 306.334 0.722 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc[nH]c1=S ZINC000725905205 659414042 /nfs/dbraw/zinc/41/40/42/659414042.db2.gz YVNHETKBTDHXNC-UHFFFAOYSA-N 0 0 315.420 0.526 10 0 DCAERN C=CCNC(=O)COC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000025072672 659414563 /nfs/dbraw/zinc/41/45/63/659414563.db2.gz WZHAEPPETDDUSQ-UHFFFAOYSA-N 0 0 315.329 0.321 10 0 DCAERN CNC(=O)[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(C)C ZINC000192546282 659418412 /nfs/dbraw/zinc/41/84/12/659418412.db2.gz WPKVOAZZJIMSQO-CMPLNLGQSA-N 0 0 320.397 0.450 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCN1CCO ZINC000194550111 659508013 /nfs/dbraw/zinc/50/80/13/659508013.db2.gz HGFHIAACWANTJZ-SNVBAGLBSA-N 0 0 302.325 0.287 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000333327092 659775828 /nfs/dbraw/zinc/77/58/28/659775828.db2.gz YARORUPNJNNFBY-LBPRGKRZSA-N 0 0 317.393 0.795 10 0 DCAERN O=C1[C@@H](N2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063916 659808030 /nfs/dbraw/zinc/80/80/30/659808030.db2.gz KKCUPLSZGPVHDZ-RDJZCZTQSA-N 0 0 324.421 0.648 10 0 DCAERN Cc1csc([C@@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)n1 ZINC000182275429 665763231 /nfs/dbraw/zinc/76/32/31/665763231.db2.gz STBXEFFLDCMKFF-JTQLQIEISA-N 0 0 310.379 0.676 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(CN3CC(=O)N(C)C3=O)C2)n1 ZINC000182282752 665770029 /nfs/dbraw/zinc/77/00/29/665770029.db2.gz SZTBLLNHQNBJPW-CYBMUJFWSA-N 0 0 320.397 0.458 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cncc3cccnc32)CC1 ZINC000222611618 661622363 /nfs/dbraw/zinc/62/23/63/661622363.db2.gz XOJBZKYRLXFYMU-UHFFFAOYSA-N 0 0 320.374 0.347 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000726461246 661659210 /nfs/dbraw/zinc/65/92/10/661659210.db2.gz XWLJEJAJXNVBPR-GXSJLCMTSA-N 0 0 313.448 0.954 10 0 DCAERN C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2noc(CN)n2)C[C@H](C)O1 ZINC000262146323 662112280 /nfs/dbraw/zinc/11/22/80/662112280.db2.gz FMVJWXXZAIKICI-XQQFMLRXSA-N 0 0 309.414 0.602 10 0 DCAERN C[NH+](C)Cc1ccc(N2CCN(Cn3cnnc3)CC2)nc1 ZINC000182591853 665852384 /nfs/dbraw/zinc/85/23/84/665852384.db2.gz UGMGBSHBXLRIMC-UHFFFAOYSA-N 0 0 301.398 0.514 10 0 DCAERN CCN(CC(=O)OC)Cn1cc(C)n(-c2cc(C)on2)c1=O ZINC000728709969 662413173 /nfs/dbraw/zinc/41/31/73/662413173.db2.gz ZXOZYXBHPXRVMD-UHFFFAOYSA-N 0 0 308.338 0.696 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)NC(C)(C)C ZINC000341781787 662437603 /nfs/dbraw/zinc/43/76/03/662437603.db2.gz MIVCHCRDCNCJPN-SNVBAGLBSA-N 0 0 301.412 0.329 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCCC[C@H]2O)C1 ZINC000263474237 662879807 /nfs/dbraw/zinc/87/98/07/662879807.db2.gz MDDYNOBAEGHESO-IFWUJCSASA-N 0 0 313.398 0.527 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)N(C)C ZINC000729703799 662907855 /nfs/dbraw/zinc/90/78/55/662907855.db2.gz LLBOZTODASOWEA-ZDUSSCGKSA-N 0 0 317.349 0.932 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccnc(NC2CCC2)c1 ZINC000901291887 663338152 /nfs/dbraw/zinc/33/81/52/663338152.db2.gz QQRWFNUZZRGKAX-LBPRGKRZSA-N 0 0 304.350 0.372 10 0 DCAERN COC(=O)C[C@]1(NC(=O)c2ccnc3[nH]c(C)nc32)CCOC1 ZINC000436119317 663416796 /nfs/dbraw/zinc/41/67/96/663416796.db2.gz SBZXLAHOIMKOJD-OAHLLOKOSA-N 0 0 318.333 0.718 10 0 DCAERN C[C@H](NC(=O)CCNC(=O)CO)c1ccc2c(c1)OCCO2 ZINC000905282686 663544760 /nfs/dbraw/zinc/54/47/60/663544760.db2.gz DFGALLPZDWONKP-JTQLQIEISA-N 0 0 308.334 0.134 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H](C)c1ccccc1 ZINC000031467021 663583409 /nfs/dbraw/zinc/58/34/09/663583409.db2.gz MVDBPEWKOQIJAB-OAHLLOKOSA-N 0 0 311.385 0.548 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC(=O)N[C@@H]1C)N1Cc2ccccc2C1=O ZINC000908006232 663727659 /nfs/dbraw/zinc/72/76/59/663727659.db2.gz ZPYJEVYJBJYJCG-GYSYKLTISA-N 0 0 315.373 0.814 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCn1ccnn1 ZINC000183167917 665993799 /nfs/dbraw/zinc/99/37/99/665993799.db2.gz XTXUDMRSBZFZTB-UHFFFAOYSA-N 0 0 318.790 0.342 10 0 DCAERN COCc1cncc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c1 ZINC000909178844 663783980 /nfs/dbraw/zinc/78/39/80/663783980.db2.gz KCQWBQJAPYPIHD-MCIONIFRSA-N 0 0 302.334 0.529 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@@H]1OCCc2ccccc21 ZINC000909165149 663785065 /nfs/dbraw/zinc/78/50/65/663785065.db2.gz BWQBBZXFAIKCLT-FXUDXRNXSA-N 0 0 313.357 0.988 10 0 DCAERN CC(C)CCn1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1 ZINC000909172922 663785686 /nfs/dbraw/zinc/78/56/86/663785686.db2.gz WYFBMTJMKJECIF-MRVWCRGKSA-N 0 0 318.381 0.625 10 0 DCAERN CC(C)[C@H](O)CC(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000910374852 663875742 /nfs/dbraw/zinc/87/57/42/663875742.db2.gz SOEQMRLMRJTKFW-WDEREUQCSA-N 0 0 304.412 0.639 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@H]2CO)c(C)n1-c1ccn(C)n1 ZINC000912414859 664168739 /nfs/dbraw/zinc/16/87/39/664168739.db2.gz FCNJBHVHNXHBJX-CYBMUJFWSA-N 0 0 318.377 0.661 10 0 DCAERN O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCOC[C@H]1CO ZINC000912427349 664175044 /nfs/dbraw/zinc/17/50/44/664175044.db2.gz JERMSKXDFXWWPI-GFCCVEGCSA-N 0 0 320.345 0.170 10 0 DCAERN COCCN1CCN(C(=O)[C@H](O)c2cccc(OC)c2)C[C@H]1C ZINC000164766836 664389055 /nfs/dbraw/zinc/38/90/55/664389055.db2.gz LACRSWACRKJUOK-CZUORRHYSA-N 0 0 322.405 0.908 10 0 DCAERN CCCN(CC(=O)OCC)Cn1nc(CO)n(C)c1=S ZINC000156886730 664394807 /nfs/dbraw/zinc/39/48/07/664394807.db2.gz IGPMGWTURMMHRK-UHFFFAOYSA-N 0 0 302.400 0.676 10 0 DCAERN COc1cccc([C@H](O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000165080601 664400056 /nfs/dbraw/zinc/40/00/56/664400056.db2.gz FDKMOWAUDBHJQG-SCRDCRAPSA-N 0 0 306.362 0.889 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)c1cnccn1 ZINC000223625015 664418168 /nfs/dbraw/zinc/41/81/68/664418168.db2.gz PEUKCJAZLHCKIZ-UHFFFAOYSA-N 0 0 320.393 0.335 10 0 DCAERN CCOC(=O)N[C@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000735109631 666948881 /nfs/dbraw/zinc/94/88/81/666948881.db2.gz DEHFUAFJVLRDLT-WIUDPPPLSA-N 0 0 319.427 0.675 10 0 DCAERN Cc1cccc(F)c1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000225030545 664464166 /nfs/dbraw/zinc/46/41/66/664464166.db2.gz BAPJJLAJSKDXDJ-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN CC(C)OC[C@H](O)CSc1nnc(-c2ccccn2)n1N ZINC000157644101 664483939 /nfs/dbraw/zinc/48/39/39/664483939.db2.gz GYEHSAVQIVAERE-JTQLQIEISA-N 0 0 309.395 0.932 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1CO)c1cccs1 ZINC000168477636 664524094 /nfs/dbraw/zinc/52/40/94/664524094.db2.gz LEYIUYHMDSSJMV-RYUDHWBXSA-N 0 0 312.391 0.535 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCc2ccccc21 ZINC000171286098 664606812 /nfs/dbraw/zinc/60/68/12/664606812.db2.gz OANSMECQORRHMF-HIFRSBDPSA-N 0 0 303.406 0.884 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000171832580 664613388 /nfs/dbraw/zinc/61/33/88/664613388.db2.gz NYAICJICDVLASG-AWEZNQCLSA-N 0 0 315.373 0.710 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000172451781 664621670 /nfs/dbraw/zinc/62/16/70/664621670.db2.gz UCAWYWQHFLLVRL-NSHDSACASA-N 0 0 311.407 0.892 10 0 DCAERN CN1C(=O)OC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000062632435 664622078 /nfs/dbraw/zinc/62/20/78/664622078.db2.gz XEQQJBRGCGKLTQ-CYBMUJFWSA-N 0 0 307.325 0.925 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000172607910 664623521 /nfs/dbraw/zinc/62/35/21/664623521.db2.gz HLJUBDUWAFEUSY-QWHCGFSZSA-N 0 0 307.350 0.631 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000172612258 664623755 /nfs/dbraw/zinc/62/37/55/664623755.db2.gz XMDHOFCYDIBOTB-YUMQZZPRSA-N 0 0 320.802 0.396 10 0 DCAERN O=c1c2ccccc2nnn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172960559 664626048 /nfs/dbraw/zinc/62/60/48/664626048.db2.gz ZYPIVAXIMPXUJU-ZDUSSCGKSA-N 0 0 315.377 0.156 10 0 DCAERN CS(=O)(=O)c1nccn1Cc1cnn(-c2ccccc2)n1 ZINC000174109010 664636136 /nfs/dbraw/zinc/63/61/36/664636136.db2.gz QCWZCMFGXFEFBX-UHFFFAOYSA-N 0 0 303.347 0.916 10 0 DCAERN CC(C)C1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000232531761 664639835 /nfs/dbraw/zinc/63/98/35/664639835.db2.gz DRWVZQOLOMSFDJ-CYBMUJFWSA-N 0 0 302.440 0.658 10 0 DCAERN COC(=O)[C@H](C)NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730275591 664673921 /nfs/dbraw/zinc/67/39/21/664673921.db2.gz NXPNMKUXBPNFST-NSHDSACASA-N 0 0 320.345 0.870 10 0 DCAERN CC(C)N(CCc1nccs1)CN1C(=O)C(=O)N(C)C1=O ZINC000151588976 664707957 /nfs/dbraw/zinc/70/79/57/664707957.db2.gz PNSWTUBPYFWAKC-UHFFFAOYSA-N 0 0 310.379 0.774 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000152204473 664740254 /nfs/dbraw/zinc/74/02/54/664740254.db2.gz KZMZKDULEADFCF-AFJNRPGYSA-N 0 0 303.362 0.874 10 0 DCAERN O=c1ccc2ccc(OC[C@@H](O)CN3CCOCC3)cc2o1 ZINC000153022240 664787425 /nfs/dbraw/zinc/78/74/25/664787425.db2.gz DSEVUJLVGDAOEW-ZDUSSCGKSA-N 0 0 305.330 0.865 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C2=COCCC2)CC1 ZINC000730850949 664820502 /nfs/dbraw/zinc/82/05/02/664820502.db2.gz PCJUXRNYEBSKGL-NSHDSACASA-N 0 0 310.350 0.303 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C2=COCCC2)C1 ZINC000730850383 664820554 /nfs/dbraw/zinc/82/05/54/664820554.db2.gz XDVSUUCJMZCSKH-CYBMUJFWSA-N 0 0 310.350 0.351 10 0 DCAERN CCC(=O)N1CCCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000741426767 664842820 /nfs/dbraw/zinc/84/28/20/664842820.db2.gz VVXLSKFLPCJPAC-HXUWFJFHSA-N 0 0 303.428 0.409 10 0 DCAERN COC(=O)CN(C)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731603160 664873649 /nfs/dbraw/zinc/87/36/49/664873649.db2.gz OKTRPNFTFACRMO-UHFFFAOYSA-N 0 0 320.345 0.824 10 0 DCAERN C=CC(=O)NCCNC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000732101441 664904060 /nfs/dbraw/zinc/90/40/60/664904060.db2.gz DEUPYWAEHAGRAL-UHFFFAOYSA-N 0 0 312.329 0.881 10 0 DCAERN CCN1C[C@@H](COC(=O)c2ccc3nnn(C)c3c2)CC1=O ZINC000183627855 666084415 /nfs/dbraw/zinc/08/44/15/666084415.db2.gz VWWTUHPTABAIEY-JTQLQIEISA-N 0 0 302.334 0.994 10 0 DCAERN CCS(=O)(=O)CCN1CCN(c2cc(OC)ncn2)CC1 ZINC000184062869 666180462 /nfs/dbraw/zinc/18/04/62/666180462.db2.gz GOUBFHISPNSMGC-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN CSCCCCCOC(=O)Cn1ccc(=O)n(C)c1=O ZINC000184488053 666216147 /nfs/dbraw/zinc/21/61/47/666216147.db2.gz JGYCLPGWLKYNGP-UHFFFAOYSA-N 0 0 300.380 0.624 10 0 DCAERN CCOCCONC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000184775555 666274020 /nfs/dbraw/zinc/27/40/20/666274020.db2.gz QLOKJJGYIYMPQG-UHFFFAOYSA-N 0 0 308.382 0.531 10 0 DCAERN CC(C)C[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000184891337 666301933 /nfs/dbraw/zinc/30/19/33/666301933.db2.gz HXFPIDKCYHLIEL-VXGBXAGGSA-N 0 0 314.407 0.634 10 0 DCAERN CC(C)(C)SCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000040218669 666496420 /nfs/dbraw/zinc/49/64/20/666496420.db2.gz LDZCWPXUNRNWAB-JTQLQIEISA-N 0 0 323.484 0.550 10 0 DCAERN COc1cc(N2CCN(Cn3nccc3[N+](=O)[O-])CC2)ncn1 ZINC000185611557 666529097 /nfs/dbraw/zinc/52/90/97/666529097.db2.gz DVQURNDGKMHDEU-UHFFFAOYSA-N 0 0 319.325 0.370 10 0 DCAERN C#C[C@H](C)NC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000186124768 666689600 /nfs/dbraw/zinc/68/96/00/666689600.db2.gz LNWVOHQEJMSRMA-KBPBESRZSA-N 0 0 320.437 0.783 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC1(C(N)=O)CCCC1 ZINC000733781175 666817839 /nfs/dbraw/zinc/81/78/39/666817839.db2.gz UVNGPTCGNXHUFJ-NSHDSACASA-N 0 0 303.362 0.719 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)Cc1ccccc1 ZINC000733878009 666823462 /nfs/dbraw/zinc/82/34/62/666823462.db2.gz DKISOLWMEWXUQE-OAQYLSRUSA-N 0 0 310.419 0.620 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000733880866 666823652 /nfs/dbraw/zinc/82/36/52/666823652.db2.gz WKYLBYFMJCINAW-GOSISDBHSA-N 0 0 309.453 0.619 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000733960725 666832375 /nfs/dbraw/zinc/83/23/75/666832375.db2.gz MILOFLWLRKDGDU-IBGZPJMESA-N 0 0 317.432 0.897 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cccnn2)[C@H](O)C1 ZINC000701795610 666877291 /nfs/dbraw/zinc/87/72/91/666877291.db2.gz NEBGTNARGDJIQY-ZYHUDNBSSA-N 0 0 322.365 0.434 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000735095974 666951779 /nfs/dbraw/zinc/95/17/79/666951779.db2.gz LUXFWBUWMCGWPL-ZSMADZGOSA-N 0 0 317.455 0.844 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)c1cccc(OC)c1 ZINC000735110914 666954695 /nfs/dbraw/zinc/95/46/95/666954695.db2.gz OPAIVLASRAYRPW-ZSEKCTLFSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000735110987 666954769 /nfs/dbraw/zinc/95/47/69/666954769.db2.gz PHVLTMMCRVSZIK-QKVFXAPYSA-N 0 0 315.439 0.551 10 0 DCAERN Cn1cc(C(=O)OCCOc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000735151723 666961460 /nfs/dbraw/zinc/96/14/60/666961460.db2.gz NWLZAVXUFKIZGX-UHFFFAOYSA-N 0 0 322.292 0.459 10 0 DCAERN COCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815880 666999193 /nfs/dbraw/zinc/99/91/93/666999193.db2.gz QHTOZVNAMUDNOX-NWDGAFQWSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cn[nH]c2)[C@H](O)C1 ZINC000702817034 666999584 /nfs/dbraw/zinc/99/95/84/666999584.db2.gz SRYADANOKNKCLY-GHMZBOCLSA-N 0 0 310.354 0.367 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000703115113 667048933 /nfs/dbraw/zinc/04/89/33/667048933.db2.gz ZPYCVIGMYPAWNY-ZETCQYMHSA-N 0 0 321.761 0.631 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391485 667123889 /nfs/dbraw/zinc/12/38/89/667123889.db2.gz QNKUGRZDFWHRSX-GXTWGEPZSA-N 0 0 305.378 0.820 10 0 DCAERN O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(Cl)nc1 ZINC000120160891 667273515 /nfs/dbraw/zinc/27/35/15/667273515.db2.gz SEVRCSSFWKMLHO-GFCCVEGCSA-N 0 0 320.798 0.802 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCS(C)(=O)=O)no2)c1 ZINC000120274321 667290057 /nfs/dbraw/zinc/29/00/57/667290057.db2.gz FXFJOICGJQLIGT-UHFFFAOYSA-N 0 0 312.351 0.002 10 0 DCAERN Cn1nccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705779436 667375802 /nfs/dbraw/zinc/37/58/02/667375802.db2.gz NEGUXHVNZOONCI-PWSUYJOCSA-N 0 0 324.381 0.378 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1ccccc1F ZINC000708275793 667442483 /nfs/dbraw/zinc/44/24/83/667442483.db2.gz TYYIBXONOAWESK-UHFFFAOYSA-N 0 0 324.399 0.432 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708177212 667442198 /nfs/dbraw/zinc/44/21/98/667442198.db2.gz GLLWOSZQSMCYKE-GFCCVEGCSA-N 0 0 303.380 0.855 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708220216 667442339 /nfs/dbraw/zinc/44/23/39/667442339.db2.gz BIEIAYYLXXGVRH-JTQLQIEISA-N 0 0 302.396 0.286 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)C1CCC(=O)CC1 ZINC000709487549 667444920 /nfs/dbraw/zinc/44/49/20/667444920.db2.gz JXOXXNQBWKNANY-LBPRGKRZSA-N 0 0 304.412 0.090 10 0 DCAERN O=c1n(CN2CCO[C@@H](c3ccsc3)C2)nc2cnccn21 ZINC000133665947 667470479 /nfs/dbraw/zinc/47/04/79/667470479.db2.gz ZHFBUCDRWUKPCD-GFCCVEGCSA-N 0 0 317.374 0.984 10 0 DCAERN Cc1cc2nc(NC(=O)N[C@@H]3C[C@H]3CO)cc(N(C)C)n2n1 ZINC000889043377 667474073 /nfs/dbraw/zinc/47/40/73/667474073.db2.gz DJIKRMRDEQXPAZ-VHSXEESVSA-N 0 0 304.354 0.606 10 0 DCAERN C[C@H](O)[C@H](O)CNc1ccc(I)cn1 ZINC000717349167 667639050 /nfs/dbraw/zinc/63/90/50/667639050.db2.gz YEPAWIHACKGPTQ-POYBYMJQSA-N 0 0 308.119 0.840 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCOCC(F)(F)C2)C1=O ZINC000886078119 667729044 /nfs/dbraw/zinc/72/90/44/667729044.db2.gz MRYFZZMUFRNIRK-LLVKDONJSA-N 0 0 320.336 0.508 10 0 DCAERN COc1nnccc1NC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000886078103 667729058 /nfs/dbraw/zinc/72/90/58/667729058.db2.gz LTFXDFPXNRFARP-LLVKDONJSA-N 0 0 308.338 0.451 10 0 DCAERN Cc1coc(C)c1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886077888 667729295 /nfs/dbraw/zinc/72/92/95/667729295.db2.gz QOUHOLAYTXOWEB-INIZCTEOSA-N 0 0 321.377 0.299 10 0 DCAERN CCn1ncnc1CN1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886080508 667729718 /nfs/dbraw/zinc/72/97/18/667729718.db2.gz WDGNZJPJPGKELZ-AWEZNQCLSA-N 0 0 306.370 0.559 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CC3(C2)CCCOC3)C1=O ZINC000886078160 667729770 /nfs/dbraw/zinc/72/97/70/667729770.db2.gz OFHRTYGNLBPUOQ-CYBMUJFWSA-N 0 0 310.394 0.653 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccncc2F)C1 ZINC000886088443 667730851 /nfs/dbraw/zinc/73/08/51/667730851.db2.gz HASPFRIBCABXQR-HNNXBMFYSA-N 0 0 305.357 0.919 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2c(C)noc2C)C1=O ZINC000886087966 667731008 /nfs/dbraw/zinc/73/10/08/667731008.db2.gz FTPTZYRUKPKJLZ-CYBMUJFWSA-N 0 0 309.366 0.935 10 0 DCAERN Cc1nonc1C(=O)N(C)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886093948 667731663 /nfs/dbraw/zinc/73/16/63/667731663.db2.gz KRLXJAOBQRPLMV-WDEREUQCSA-N 0 0 307.310 0.030 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000741076443 667758180 /nfs/dbraw/zinc/75/81/80/667758180.db2.gz GKWKZVRDBNRAJJ-HXUWFJFHSA-N 0 0 301.343 0.815 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000741424112 667770820 /nfs/dbraw/zinc/77/08/20/667770820.db2.gz YQBMXFDXEKSZEA-QFIPXVFZSA-N 0 0 324.450 0.677 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000741421523 667770900 /nfs/dbraw/zinc/77/09/00/667770900.db2.gz BLKWIULNUHZMKA-JOCHJYFZSA-N 0 0 322.394 0.861 10 0 DCAERN Cc1csc([C@H](C)NS(=O)(=O)CCS(C)(=O)=O)n1 ZINC000742291458 667788555 /nfs/dbraw/zinc/78/85/55/667788555.db2.gz WYUDWQNBDWSRBC-QMMMGPOBSA-N 0 0 312.438 0.477 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000742657708 667796058 /nfs/dbraw/zinc/79/60/58/667796058.db2.gz GBTJYFOADAONIN-JOCHJYFZSA-N 0 0 321.402 0.783 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCOC2CCC2)c1 ZINC000742818569 667799749 /nfs/dbraw/zinc/79/97/49/667799749.db2.gz FSGKXQJFFWXAAU-UHFFFAOYSA-N 0 0 312.391 0.894 10 0 DCAERN CC(C)c1nsc(CN2CC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000930422219 668168766 /nfs/dbraw/zinc/16/87/66/668168766.db2.gz BIVKRYNBTPGOSO-ZDUSSCGKSA-N 0 0 308.411 0.890 10 0 DCAERN COC(=O)[C@@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209296571 668188563 /nfs/dbraw/zinc/18/85/63/668188563.db2.gz AZOHESWTZINWRJ-JMEBYUIHSA-N 0 0 319.766 0.764 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCCc2ccccc21 ZINC000126464511 668600135 /nfs/dbraw/zinc/60/01/35/668600135.db2.gz DLNRHNRMQOMVQO-ZDUSSCGKSA-N 0 0 308.403 0.743 10 0 DCAERN CCN(Cc1ccncc1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126603845 668632984 /nfs/dbraw/zinc/63/29/84/668632984.db2.gz QMDFTERWQXUKJR-ZDUSSCGKSA-N 0 0 311.407 0.207 10 0 DCAERN C[C@@H](CNC(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1 ZINC000126676799 668640171 /nfs/dbraw/zinc/64/01/71/668640171.db2.gz KPGQQDXCFNXCKM-JSGCOSHPSA-N 0 0 310.419 0.683 10 0 DCAERN C[C@H](Cc1ccsc1)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126689160 668645519 /nfs/dbraw/zinc/64/55/19/668645519.db2.gz VBCJSALBLCRCMS-PWSUYJOCSA-N 0 0 316.448 0.572 10 0 DCAERN CCC1(C)CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126758305 668654475 /nfs/dbraw/zinc/65/44/75/668654475.db2.gz ZMAMZCXUCVMBEH-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@@H]1COc2ccccc21 ZINC000126784060 668658544 /nfs/dbraw/zinc/65/85/44/668658544.db2.gz MAKMCEJPALHLKS-ZYHUDNBSSA-N 0 0 310.375 0.013 10 0 DCAERN C[C@H]1CC(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C[C@H](C)C1 ZINC000126800128 668659244 /nfs/dbraw/zinc/65/92/44/668659244.db2.gz AFKAWXREZAPPKH-NQBHXWOUSA-N 0 0 302.440 0.704 10 0 DCAERN COc1ccc(F)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126866990 668672443 /nfs/dbraw/zinc/67/24/43/668672443.db2.gz ISIOGJDCFDYVLP-SECBINFHSA-N 0 0 316.354 0.550 10 0 DCAERN C[C@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)CCS1(=O)=O ZINC000126897125 668682101 /nfs/dbraw/zinc/68/21/01/668682101.db2.gz YMKRLBKYWKCKLI-APBUJDDRSA-N 0 0 324.468 0.362 10 0 DCAERN COCCN1C[C@H](C(=O)OCCc2c(C)nn(C)c2C)CC1=O ZINC000127293593 668915003 /nfs/dbraw/zinc/91/50/03/668915003.db2.gz GOJSKQXAAODINO-CYBMUJFWSA-N 0 0 323.393 0.618 10 0 DCAERN CCn1cc(C(=O)N2CCN(CC)[C@H](c3nccn3C)C2)nn1 ZINC000935520415 669735046 /nfs/dbraw/zinc/73/50/46/669735046.db2.gz IMJWNWARXIYERR-ZDUSSCGKSA-N 0 0 317.397 0.551 10 0 DCAERN COC[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000132629293 669735160 /nfs/dbraw/zinc/73/51/60/669735160.db2.gz MKBMRVRWRPBTGW-NNNHXZLVSA-N 0 0 308.334 0.065 10 0 DCAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ncccc1N ZINC000132777408 669746440 /nfs/dbraw/zinc/74/64/40/669746440.db2.gz KERKRXBSUUEBCF-SECBINFHSA-N 0 0 301.393 0.224 10 0 DCAERN CCCS(=O)(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000793893623 669750323 /nfs/dbraw/zinc/75/03/23/669750323.db2.gz FVYJGONVFAEGQY-GFCCVEGCSA-N 0 0 302.400 0.492 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000793893624 669750479 /nfs/dbraw/zinc/75/04/79/669750479.db2.gz FVYJGONVFAEGQY-LBPRGKRZSA-N 0 0 302.400 0.492 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)cn1 ZINC000190808997 669929377 /nfs/dbraw/zinc/92/93/77/669929377.db2.gz QFTQAETUAZITLS-HIFRSBDPSA-N 0 0 322.409 0.524 10 0 DCAERN C[C@@H]1OCC[C@H]1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187753084 669950820 /nfs/dbraw/zinc/95/08/20/669950820.db2.gz FIJFHNYVWUQYBB-JOYOIKCWSA-N 0 0 304.302 0.410 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](COC(=O)c2c[nH]c(C#N)c2)C1 ZINC000191416538 670021173 /nfs/dbraw/zinc/02/11/73/670021173.db2.gz LZHKZGLLNKFAJF-SNVBAGLBSA-N 0 0 311.363 0.715 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)NCCS(C)(=O)=O ZINC000188872633 670058411 /nfs/dbraw/zinc/05/84/11/670058411.db2.gz YPGGYLORCRGBDX-UHFFFAOYSA-N 0 0 300.380 0.953 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1(CCO)CC1 ZINC000188945339 670068505 /nfs/dbraw/zinc/06/85/05/670068505.db2.gz KONXGWCMUNOFQZ-UHFFFAOYSA-N 0 0 307.803 0.823 10 0 DCAERN CCN1CCO[C@H](CNCc2cn(C)nc2Br)C1 ZINC000712469846 670149643 /nfs/dbraw/zinc/14/96/43/670149643.db2.gz JZLTYZQCJKCYQR-LLVKDONJSA-N 0 0 317.231 0.993 10 0 DCAERN CCn1ccc(=O)n(Cc2cn(C)nc2Br)c1=O ZINC000713853295 670171089 /nfs/dbraw/zinc/17/10/89/670171089.db2.gz NYYRDPGVZYYMQM-UHFFFAOYSA-N 0 0 313.155 0.574 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COc2ccccc2F)CC1 ZINC000713948647 670171907 /nfs/dbraw/zinc/17/19/07/670171907.db2.gz LWJFKPDKLHJPJH-UHFFFAOYSA-N 0 0 302.327 0.142 10 0 DCAERN Cn1cc(CN2C[C@@H](CO)[C@H](CO)C2)c(Br)n1 ZINC000714076220 670175238 /nfs/dbraw/zinc/17/52/38/670175238.db2.gz DIZASJMBYJSEQW-UWVGGRQHSA-N 0 0 304.188 0.215 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000714473867 670189421 /nfs/dbraw/zinc/18/94/21/670189421.db2.gz VEYVPOIAMYSREW-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000714473908 670189707 /nfs/dbraw/zinc/18/97/07/670189707.db2.gz WCMLERJJJOQFTH-UHFFFAOYSA-N 0 0 323.729 0.388 10 0 DCAERN NC(=O)C1CC(NC(=O)c2nscc2Br)C1 ZINC000716659911 670268061 /nfs/dbraw/zinc/26/80/61/670268061.db2.gz IHAXUPXFXPBYBQ-UHFFFAOYSA-N 0 0 304.169 0.899 10 0 DCAERN CC(C)(O)C(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818498614 671024322 /nfs/dbraw/zinc/02/43/22/671024322.db2.gz SWUYQTWBLJWODN-OAHLLOKOSA-N 0 0 309.366 0.614 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccccc1C(N)=O ZINC000104074872 671906531 /nfs/dbraw/zinc/90/65/31/671906531.db2.gz JTYVTEJMMWHZGS-GHMZBOCLSA-N 0 0 318.377 0.310 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000716977317 671945894 /nfs/dbraw/zinc/94/58/94/671945894.db2.gz FQNKPUNWXVCBAL-SRVKXCTJSA-N 0 0 304.412 0.752 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)nn1 ZINC000389943417 685258033 /nfs/dbraw/zinc/25/80/33/685258033.db2.gz PLSIBBMYOOZXQP-UHFFFAOYSA-N 0 0 305.722 0.481 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NCc1cnn(C)n1 ZINC000389865809 685258486 /nfs/dbraw/zinc/25/84/86/685258486.db2.gz GOBGQXKRMLETLP-UHFFFAOYSA-N 0 0 301.759 0.650 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@H]2CCCCC2(F)F)cn1 ZINC000391049623 685261302 /nfs/dbraw/zinc/26/13/02/685261302.db2.gz WXVFGWKURUXRMH-MRVPVSSYSA-N 0 0 306.338 0.993 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(C3OCCO3)CC2)c1 ZINC000718973423 685306073 /nfs/dbraw/zinc/30/60/73/685306073.db2.gz VUKVCFSSNSCEQV-UHFFFAOYSA-N 0 0 315.395 0.677 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@H](CO)[C@H](CO)C1)C1CC1 ZINC000717986742 685303782 /nfs/dbraw/zinc/30/37/82/685303782.db2.gz ACSLUUASIHHLJX-TXEJJXNPSA-N 0 0 305.440 0.675 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)C1 ZINC000719050377 685307611 /nfs/dbraw/zinc/30/76/11/685307611.db2.gz NRMZDJNPNRMZKV-NWDGAFQWSA-N 0 0 304.412 0.658 10 0 DCAERN O=S(=O)(c1ccns1)N1CCC[C@@H](C2OCCO2)C1 ZINC000719099486 685308682 /nfs/dbraw/zinc/30/86/82/685308682.db2.gz OKGSYPUNLVOJLF-SECBINFHSA-N 0 0 304.393 0.917 10 0 DCAERN CSCC1CCN(S(=O)(=O)c2cnc(N)nc2)CC1 ZINC000719312761 685309144 /nfs/dbraw/zinc/30/91/44/685309144.db2.gz IXGGQUJOFZYKGZ-UHFFFAOYSA-N 0 0 302.425 0.823 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CCC(=O)NC2)c(Br)n1 ZINC000720081429 685312028 /nfs/dbraw/zinc/31/20/28/685312028.db2.gz RUPGBVASPCHWDV-ZETCQYMHSA-N 0 0 315.171 0.325 10 0 DCAERN Nc1ncn(CC(=O)NCCOC(F)(F)C(F)(F)F)n1 ZINC000720323931 685312582 /nfs/dbraw/zinc/31/25/82/685312582.db2.gz WLUDDFAGMWYKQV-UHFFFAOYSA-N 0 0 303.191 0.148 10 0 DCAERN CO[C@]1(CNC(=O)N2CCC(C)CC2)CCS(=O)(=O)C1 ZINC000720912865 685317382 /nfs/dbraw/zinc/31/73/82/685317382.db2.gz BMGHNJDICKTYLV-ZDUSSCGKSA-N 0 0 304.412 0.632 10 0 DCAERN CO[C@]1(CNCc2c(C)nn(C)c2Cl)CCS(=O)(=O)C1 ZINC000720932883 685317395 /nfs/dbraw/zinc/31/73/95/685317395.db2.gz DSJIWDZPJCPHSG-LBPRGKRZSA-N 0 0 321.830 0.675 10 0 DCAERN COc1cccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721229737 685318279 /nfs/dbraw/zinc/31/82/79/685318279.db2.gz OVVFOYLUVNDHDD-ZDUSSCGKSA-N 0 0 300.380 0.384 10 0 DCAERN Cc1nnc(COC(=O)c2cnc3c(C)cccn3c2=O)n1C ZINC000091090730 685102541 /nfs/dbraw/zinc/10/25/41/685102541.db2.gz BOTJJMPEJXAOMJ-UHFFFAOYSA-N 0 0 313.317 0.797 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000173479984 685143442 /nfs/dbraw/zinc/14/34/42/685143442.db2.gz FJAPOIKDYMYLJG-UHFFFAOYSA-N 0 0 313.361 0.766 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000245730461 685158564 /nfs/dbraw/zinc/15/85/64/685158564.db2.gz CERJTYQCSGLOGT-JKOKRWQUSA-N 0 0 306.362 0.841 10 0 DCAERN COC(=O)c1cn(CN2CC[C@H](C)[C@H](n3ccnc3)C2)nn1 ZINC000246777373 685166262 /nfs/dbraw/zinc/16/62/62/685166262.db2.gz WZBFPAATKNYNGB-WCQYABFASA-N 0 0 304.354 0.802 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000246996110 685168741 /nfs/dbraw/zinc/16/87/41/685168741.db2.gz LNXRERBXNBJOJX-ZIAGYGMSSA-N 0 0 323.418 0.541 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cnn(C)c1Br ZINC000379088884 685234860 /nfs/dbraw/zinc/23/48/60/685234860.db2.gz GSSIYQWTCKUELK-INIZCTEOSA-N 0 0 308.201 0.681 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1cnn(C)c1Br ZINC000379185358 685235083 /nfs/dbraw/zinc/23/50/83/685235083.db2.gz VRBNLTFXHLIVGD-QMMMGPOBSA-N 0 0 320.187 0.964 10 0 DCAERN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)CN1C(=O)CNC1=O ZINC000064091229 1157375527 /nfs/dbraw/zinc/37/55/27/1157375527.db2.gz IXHAFKJJXPOOEK-UHFFFAOYSA-N 0 0 321.724 0.139 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)NCCCCS(N)(=O)=O ZINC000399063661 1157526936 /nfs/dbraw/zinc/52/69/36/1157526936.db2.gz OPNFYVONZUKNPK-UHFFFAOYSA-N 0 0 303.359 0.515 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCOC1(C)C ZINC000328253001 1157795271 /nfs/dbraw/zinc/79/52/71/1157795271.db2.gz PBTJHZQZGVBRIQ-ZCFIWIBFSA-N 0 0 303.160 0.875 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000023098854 1171407468 /nfs/dbraw/zinc/40/74/68/1171407468.db2.gz ODHHZLAKQQGYDG-SNVBAGLBSA-N 0 0 307.350 0.525 10 0 DCAERN CC(=O)N1CCC(C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000032363587 1171423937 /nfs/dbraw/zinc/42/39/37/1171423937.db2.gz UGXVBZRQZGKGMM-UHFFFAOYSA-N 0 0 318.377 0.186 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000089756445 1175344943 /nfs/dbraw/zinc/34/49/43/1175344943.db2.gz DMAPKFNSCVXLQU-LLVKDONJSA-N 0 0 312.347 0.169 10 0 DCAERN NC(=O)OCCNC(=O)c1cc(Br)ccc1N ZINC000135247211 1177534584 /nfs/dbraw/zinc/53/45/84/1177534584.db2.gz WRTFCSRTUPULOC-UHFFFAOYSA-N 0 0 302.128 0.856 10 0 DCAERN CN(C)c1ccc(C(=O)NCCNC(=O)[C@H]2CCCO2)cc1 ZINC000169842470 1183609654 /nfs/dbraw/zinc/60/96/54/1183609654.db2.gz CGNMAQJIQFIDLK-CQSZACIVSA-N 0 0 305.378 0.778 10 0 DCAERN COCCOCC(=O)NCCNC(=O)c1ccc(C)c(C)c1 ZINC000169843080 1183610251 /nfs/dbraw/zinc/61/02/51/1183610251.db2.gz KRECUVSGZMTREE-UHFFFAOYSA-N 0 0 308.378 0.812 10 0 DCAERN COc1cc(OC)cc(C(=O)NCCNC(=O)[C@@H]2CCCO2)c1 ZINC000169837592 1183610292 /nfs/dbraw/zinc/61/02/92/1183610292.db2.gz GBMIUFUFOCPDNJ-AWEZNQCLSA-N 0 0 322.361 0.729 10 0 DCAERN CC1(C)COCCN1CCNC(=O)Cn1nnc2ccccc21 ZINC000170863998 1183693015 /nfs/dbraw/zinc/69/30/15/1183693015.db2.gz NWNZIWVQDIIBLC-UHFFFAOYSA-N 0 0 317.393 0.658 10 0 DCAERN Cc1noc([C@@H](NC(=O)CCNS(C)(=O)=O)C(C)C)n1 ZINC000171824674 1183784184 /nfs/dbraw/zinc/78/41/84/1183784184.db2.gz IYMBSSRBZRIXKN-JTQLQIEISA-N 0 0 304.372 0.131 10 0 DCAERN CCNS(=O)(=O)NCCNc1ncccc1C(F)(F)F ZINC000172447832 1183849613 /nfs/dbraw/zinc/84/96/13/1183849613.db2.gz GGQFXLPUIMEJDF-UHFFFAOYSA-N 0 0 312.317 0.956 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000175885534 1184119595 /nfs/dbraw/zinc/11/95/95/1184119595.db2.gz BCHTWEZOWOFVPX-UHFFFAOYSA-N 0 0 323.378 0.487 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)c2ccccc2)c1 ZINC000178347245 1184452120 /nfs/dbraw/zinc/45/21/20/1184452120.db2.gz XFLXEZCTYCXANN-CQSZACIVSA-N 0 0 320.370 0.797 10 0 DCAERN Cc1noc([C@@H](NC(=O)Nc2nccn(C)c2=O)C(C)C)n1 ZINC000183881541 1185194156 /nfs/dbraw/zinc/19/41/56/1185194156.db2.gz FFSZRXHDNUCXAR-VIFPVBQESA-N 0 0 306.326 0.991 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000185957750 1187332547 /nfs/dbraw/zinc/33/25/47/1187332547.db2.gz JAJISOXXTYYYFU-RYUDHWBXSA-N 0 0 304.350 0.430 10 0 DCAERN COc1cccc(CC(=O)NC[C@H](C)CN2CCOCC2)n1 ZINC000187114495 1187443816 /nfs/dbraw/zinc/44/38/16/1187443816.db2.gz BLYHZFGRBQAFCX-ZDUSSCGKSA-N 0 0 307.394 0.717 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000187861215 1187568093 /nfs/dbraw/zinc/56/80/93/1187568093.db2.gz LLXUWJJAEHVSJU-SNVBAGLBSA-N 0 0 319.452 0.870 10 0 DCAERN Cc1noc([C@H](NC(=O)N(C[C@@H](C)O)[C@@H](C)CO)C(C)C)n1 ZINC000190542549 1187956704 /nfs/dbraw/zinc/95/67/04/1187956704.db2.gz OJBLQHKYSZNLTG-HOSYDEDBSA-N 0 0 314.386 0.848 10 0 DCAERN C[C@@H](CNC(=O)Cn1nnc2ccccc21)N1CCCCC1=O ZINC000194256551 1188142073 /nfs/dbraw/zinc/14/20/73/1188142073.db2.gz AWLZNDHOQLKGKR-LBPRGKRZSA-N 0 0 315.377 0.949 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)nn2)C1 ZINC000400193714 1189976856 /nfs/dbraw/zinc/97/68/56/1189976856.db2.gz NJXAIFLFMLKFHU-QMMMGPOBSA-N 0 0 318.786 0.284 10 0 DCAERN O=C(c1nscc1Br)N1CC[C@@H](O)[C@H](CO)C1 ZINC000404941146 1190240761 /nfs/dbraw/zinc/24/07/61/1190240761.db2.gz LXWCZIPUKLKXEU-POYBYMJQSA-N 0 0 321.196 0.721 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](NC[C@@H](O)C1CC1)C(F)(F)F ZINC000311841998 1190393129 /nfs/dbraw/zinc/39/31/29/1190393129.db2.gz NLGVNWZDVPWSAQ-BDAKNGLRSA-N 0 0 304.334 0.169 10 0 DCAERN CC[C@](C)(NS(=O)(=O)c1ccc(Cl)nc1C)C(N)=O ZINC000388905926 1190700063 /nfs/dbraw/zinc/70/00/63/1190700063.db2.gz MCNBKGFHMUEXHB-NSHDSACASA-N 0 0 305.787 0.976 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N[C@]1(CO)CCOC1 ZINC000393915993 1190701875 /nfs/dbraw/zinc/70/18/75/1190701875.db2.gz TWWJBYFGECNHIQ-LBPRGKRZSA-N 0 0 315.167 0.913 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CNC(C)(C)CC(N)=O ZINC000588445605 747304018 /nfs/dbraw/zinc/30/40/18/747304018.db2.gz GRIUYMJLCPQFKL-SNVBAGLBSA-N 0 0 307.398 0.458 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CCO)CC(F)F ZINC000588616372 747545855 /nfs/dbraw/zinc/54/58/55/747545855.db2.gz KLGLMFROWNOUCS-SNVBAGLBSA-N 0 0 316.352 0.774 10 0 DCAERN O[C@H](CN1CCOCC1)CN1CCC=C(Br)C1 ZINC000404406466 774131185 /nfs/dbraw/zinc/13/11/85/774131185.db2.gz MERCIXJVVKMDSE-GFCCVEGCSA-N 0 0 305.216 0.664 10 0 DCAERN Cc1noc([C@@H](NCCN2C(=O)NC(C)(C)C2=O)C(C)C)n1 ZINC000179890343 774004967 /nfs/dbraw/zinc/00/49/67/774004967.db2.gz XHCXHWNUAZQSAU-JTQLQIEISA-N 0 0 309.370 0.995 10 0 DCAERN C[C@H](O)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905412 774140429 /nfs/dbraw/zinc/14/04/29/774140429.db2.gz OOLCXGKBLIXKRR-VIFPVBQESA-N 0 0 300.380 0.563 10 0 DCAERN CO[C@H](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307897482 774140622 /nfs/dbraw/zinc/14/06/22/774140622.db2.gz BVVZGOPJRWLLCV-SECBINFHSA-N 0 0 300.380 0.827 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)c3ccn[nH]3)c2)NC(=O)NC1=O ZINC000195011425 774943956 /nfs/dbraw/zinc/94/39/56/774943956.db2.gz IATSHTFAOMINAS-HNNXBMFYSA-N 0 0 313.317 0.394 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cc(Cl)ccc1N ZINC000390136992 949112420 /nfs/dbraw/zinc/11/24/20/949112420.db2.gz FHNNAHWSQBHCCF-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN O=C(N[C@@H]1COC[C@@H]1O)c1cc(Br)cnc1F ZINC000700869398 949687884 /nfs/dbraw/zinc/68/78/84/949687884.db2.gz JORITXCNEIVFON-SFYZADRCSA-N 0 0 305.103 0.473 10 0 DCAERN CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181245477 199270777 /nfs/dbraw/zinc/27/07/77/199270777.db2.gz FGNFHTCIQQFZNK-SNVBAGLBSA-N 0 0 317.411 0.166 10 0 DCAERN CC[C@@H](C)OCC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000299740061 529376353 /nfs/dbraw/zinc/37/63/53/529376353.db2.gz VFKFWQUGGKBGJS-MNOVXSKESA-N 0 0 309.370 0.356 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@@]1(O)CCCN(C(C)=O)C1 ZINC000285697880 536623152 /nfs/dbraw/zinc/62/31/52/536623152.db2.gz WUGXXVFZOMZOCH-MRXNPFEDSA-N 0 0 324.352 0.824 10 0 DCAERN c1cnn(CCCNc2nccc(N[C@H]3CCCOC3)n2)c1 ZINC000328627285 231259503 /nfs/dbraw/zinc/25/95/03/231259503.db2.gz FZWQMNBQXQZCMA-ZDUSSCGKSA-N 0 0 302.382 0.610 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCCn1ccnc1)CC2 ZINC000181353109 199284552 /nfs/dbraw/zinc/28/45/52/199284552.db2.gz YBRNCWBHNGLVHG-LBPRGKRZSA-N 0 0 317.397 0.912 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCc2c[nH]nc2C)CC1 ZINC000181527290 199311515 /nfs/dbraw/zinc/31/15/15/199311515.db2.gz FUXJFAMCSKQYMK-OAHLLOKOSA-N 0 0 323.441 0.749 10 0 DCAERN CCC(CC)n1nc(C)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000181599577 199324795 /nfs/dbraw/zinc/32/47/95/199324795.db2.gz UMRNZNDNPSSYID-CYBMUJFWSA-N 0 0 308.382 0.879 10 0 DCAERN CN(C)c1nc(CN2CCN(c3cccnn3)CC2)ns1 ZINC000158031365 529802254 /nfs/dbraw/zinc/80/22/54/529802254.db2.gz GOHDUCQAXLJLAI-UHFFFAOYSA-N 0 0 305.411 0.716 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177617301 529830840 /nfs/dbraw/zinc/83/08/40/529830840.db2.gz RHBBZVUSIGRHQX-JTQLQIEISA-N 0 0 310.398 0.306 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000286691126 219112288 /nfs/dbraw/zinc/11/22/88/219112288.db2.gz FIBSFZBUNHSXSS-YPMHNXCESA-N 0 0 317.324 0.364 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C)cc(F)c1)C(C)C ZINC000179083113 529895942 /nfs/dbraw/zinc/89/59/42/529895942.db2.gz XRZVUEAAHFVYKU-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1nnc2ccccn21)C(C)C ZINC000178396697 529920070 /nfs/dbraw/zinc/92/00/70/529920070.db2.gz XRLCGOKEKVSFJY-ZYHUDNBSSA-N 0 0 318.381 0.860 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000298829341 529903277 /nfs/dbraw/zinc/90/32/77/529903277.db2.gz HJXRVGLWEHQSGJ-UHIISALHSA-N 0 0 304.346 0.952 10 0 DCAERN CN(CCN1CCCC1=O)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301224846 529908893 /nfs/dbraw/zinc/90/88/93/529908893.db2.gz FEESTBMNKHGHOC-ZDUSSCGKSA-N 0 0 319.409 0.496 10 0 DCAERN CCC1(CC)CN(C(=O)C2(C(=O)NC)CC2)CC[S@]1=O ZINC000186807028 282356460 /nfs/dbraw/zinc/35/64/60/282356460.db2.gz CHTUYJLAMCPOAH-FQEVSTJZSA-N 0 0 300.424 0.662 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)N2CCOCC2)CC[S@]1=O ZINC000408268844 282375941 /nfs/dbraw/zinc/37/59/41/282375941.db2.gz DZMWGMLLHLAVJO-IBGZPJMESA-N 0 0 324.468 0.187 10 0 DCAERN COC1(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCC1 ZINC000181799044 199353814 /nfs/dbraw/zinc/35/38/14/199353814.db2.gz LUMJVUREPTWWPF-CYBMUJFWSA-N 0 0 308.382 0.863 10 0 DCAERN O=C(CNC(=O)c1ccc(Br)o1)Nc1ncc[nH]1 ZINC000070155757 190863337 /nfs/dbraw/zinc/86/33/37/190863337.db2.gz XAOKJYOAGMIWIH-UHFFFAOYSA-N 0 0 313.111 0.556 10 0 DCAERN O=C1NC[C@]2(CCCN(Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163873 191064287 /nfs/dbraw/zinc/06/42/87/191064287.db2.gz YVLGYARLBPHCDC-INIZCTEOSA-N 0 0 314.345 0.998 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263024374 282683082 /nfs/dbraw/zinc/68/30/82/282683082.db2.gz RFCZDUFEXDJZRS-YPMHNXCESA-N 0 0 314.336 0.491 10 0 DCAERN COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000171074114 197876108 /nfs/dbraw/zinc/87/61/08/197876108.db2.gz ZXAMDBPLDLUZEU-GXFFZTMASA-N 0 0 312.391 0.750 10 0 DCAERN CCN1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cn2)CC1=O ZINC000280015891 215314022 /nfs/dbraw/zinc/31/40/22/215314022.db2.gz MEABBLRPXVYQBP-LLVKDONJSA-N 0 0 304.350 0.590 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000171489236 186168489 /nfs/dbraw/zinc/16/84/89/186168489.db2.gz WQUREOAEGCFNBW-ZDUSSCGKSA-N 0 0 324.402 0.831 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000171809527 197988526 /nfs/dbraw/zinc/98/85/26/197988526.db2.gz OHWHJRNMEXEMBA-GFCCVEGCSA-N 0 0 300.380 0.923 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000172315574 198078783 /nfs/dbraw/zinc/07/87/83/198078783.db2.gz NVPYKVOIBDUFRG-MRVPVSSYSA-N 0 0 318.786 0.081 10 0 DCAERN O=C(c1cc([C@@H]2CCCCN2CCO)[nH]n1)N1CCOCC1 ZINC000072380450 191143002 /nfs/dbraw/zinc/14/30/02/191143002.db2.gz FAVYQNAKXJCMNY-AWEZNQCLSA-N 0 0 308.382 0.401 10 0 DCAERN C[C@@H]1CN(C(=O)NCCc2nccs2)CCS1(=O)=O ZINC000172368616 198086980 /nfs/dbraw/zinc/08/69/80/198086980.db2.gz OGJPTVSDLACGJD-SECBINFHSA-N 0 0 303.409 0.514 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172529242 198110889 /nfs/dbraw/zinc/11/08/89/198110889.db2.gz UIMCOQLLNRADHM-QWRGUYRKSA-N 0 0 306.366 0.231 10 0 DCAERN CCOC(=O)c1cc2c(nc1N)nc(N1CCCC1)[nH]c2=O ZINC000072417096 191155255 /nfs/dbraw/zinc/15/52/55/191155255.db2.gz HWVUNNGWXOUPJQ-UHFFFAOYSA-N 0 0 303.322 0.677 10 0 DCAERN CNC(=O)CNC(=O)Cc1cc(Br)ccc1OC ZINC000172687655 198137365 /nfs/dbraw/zinc/13/73/65/198137365.db2.gz QMDILEKBPSJMKE-UHFFFAOYSA-N 0 0 315.167 0.862 10 0 DCAERN O=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1CCCO ZINC000072449741 191169641 /nfs/dbraw/zinc/16/96/41/191169641.db2.gz LKMAUOOTYFTGID-UHFFFAOYSA-N 0 0 322.328 0.884 10 0 DCAERN CCc1nc2nnc3c(ccn(NC(=O)C(C)C)c3=O)n2n1 ZINC000072466727 191174599 /nfs/dbraw/zinc/17/45/99/191174599.db2.gz LSFCSFNVRMMOTA-UHFFFAOYSA-N 0 0 301.310 0.123 10 0 DCAERN Cc1cc(C)cc(C[C@H](C)NC(=O)CN2CC(=O)NC2=O)c1 ZINC000172853594 198158024 /nfs/dbraw/zinc/15/80/24/198158024.db2.gz GDJURXYQXRKJQC-LBPRGKRZSA-N 0 0 303.362 0.902 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2COc3ccccc32)c(=O)n(C)c1=O ZINC000173084500 198183759 /nfs/dbraw/zinc/18/37/59/198183759.db2.gz IZBUBDZJHCHCTP-SNVBAGLBSA-N 0 0 301.302 0.199 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)Cc3cc[nH]n3)CC2)cn1 ZINC000173156218 198189492 /nfs/dbraw/zinc/18/94/92/198189492.db2.gz VURAOGKCUPFVEL-UHFFFAOYSA-N 0 0 316.409 0.903 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cc(COC)on3)CCO2)[nH]1 ZINC000173099722 198184538 /nfs/dbraw/zinc/18/45/38/198184538.db2.gz DFLFWOCPDIKKKZ-LLVKDONJSA-N 0 0 321.337 0.715 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)CCn3cccn3)C2=O)n(C)n1 ZINC000173376245 198207936 /nfs/dbraw/zinc/20/79/36/198207936.db2.gz ZPFUUYJVRSQCCZ-ZDUSSCGKSA-N 0 0 302.382 0.662 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000068517364 282914591 /nfs/dbraw/zinc/91/45/91/282914591.db2.gz UKWJUYYBHQZYAV-SNVBAGLBSA-N 0 0 300.403 0.587 10 0 DCAERN CN1CCN(C(=O)c2cnc3ccccn3c2=O)C(C)(C)C1=O ZINC000154313028 282932329 /nfs/dbraw/zinc/93/23/29/282932329.db2.gz XASDIINJHGKTPH-UHFFFAOYSA-N 0 0 314.345 0.387 10 0 DCAERN COc1ccc(CNC(=O)CSc2nnc(C)n2N)cc1 ZINC000003486555 181025701 /nfs/dbraw/zinc/02/57/01/181025701.db2.gz UTUIPTSTEPDHTE-UHFFFAOYSA-N 0 0 307.379 0.717 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000182839895 199499032 /nfs/dbraw/zinc/49/90/32/199499032.db2.gz JGXWLOPNIXACHB-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000287368074 219480200 /nfs/dbraw/zinc/48/02/00/219480200.db2.gz MTBXKZWLQRRRQP-VXNVDRBHSA-N 0 0 317.798 0.989 10 0 DCAERN COC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000192715271 291043202 /nfs/dbraw/zinc/04/32/02/291043202.db2.gz IQZHEDMKRFGQCK-ZDUSSCGKSA-N 0 0 304.346 0.971 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408238269 291062243 /nfs/dbraw/zinc/06/22/43/291062243.db2.gz UCAZAZHXIGHWTQ-WDEREUQCSA-N 0 0 308.400 0.224 10 0 DCAERN C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1 ZINC000076015704 191552773 /nfs/dbraw/zinc/55/27/73/191552773.db2.gz KTSWNTUEWBGFEV-GWCFXTLKSA-N 0 0 302.330 0.966 10 0 DCAERN COc1ccc(C)cc1NC(=O)C(=O)NCc1noc(C)n1 ZINC000076416046 191640807 /nfs/dbraw/zinc/64/08/07/191640807.db2.gz ATWSRGDZYHZKHJ-UHFFFAOYSA-N 0 0 304.306 0.950 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000177616907 198752150 /nfs/dbraw/zinc/75/21/50/198752150.db2.gz RRBXKGPKLDJSHJ-YPMHNXCESA-N 0 0 318.381 0.388 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)o1 ZINC000081501654 192275051 /nfs/dbraw/zinc/27/50/51/192275051.db2.gz AXVBQDJNRTVNKL-NSHDSACASA-N 0 0 321.255 0.587 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000253356369 299250956 /nfs/dbraw/zinc/25/09/56/299250956.db2.gz PFQHDRNPQMGYPI-GARJFASQSA-N 0 0 307.350 0.510 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCC1=O ZINC000265730659 283236517 /nfs/dbraw/zinc/23/65/17/283236517.db2.gz BKTPBGWERXAERM-VXGBXAGGSA-N 0 0 305.382 0.920 10 0 DCAERN O=C(c1cccc(N[C@H]2CCNC2=O)c1)N1CCC[C@H](O)C1 ZINC000179044881 198974307 /nfs/dbraw/zinc/97/43/07/198974307.db2.gz KSEFJPMHBJKYNZ-KBPBESRZSA-N 0 0 303.362 0.584 10 0 DCAERN CS[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179479150 199043287 /nfs/dbraw/zinc/04/32/87/199043287.db2.gz RJFHHZPDAGCGFV-GJZGRUSLSA-N 0 0 324.446 0.900 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1N1CCOCC1 ZINC000180259341 199137565 /nfs/dbraw/zinc/13/75/65/199137565.db2.gz WBNBBCLFAYMXIM-AAEUAGOBSA-N 0 0 323.418 0.866 10 0 DCAERN CC[C@@](NC(=O)[C@@H](C)NC(=O)c1ccco1)(C(N)=O)C(C)C ZINC000180281794 199141371 /nfs/dbraw/zinc/14/13/71/199141371.db2.gz PSEJZWCBEGBMEY-BMIGLBTASA-N 0 0 309.366 0.804 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000180337734 199147271 /nfs/dbraw/zinc/14/72/71/199147271.db2.gz VJOJVWFCMYMNOW-QWHCGFSZSA-N 0 0 309.414 0.843 10 0 DCAERN CC[C@H](O)C[NH+]1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000180517787 199169568 /nfs/dbraw/zinc/16/95/68/199169568.db2.gz AMHXXJLQFOSCLI-INIZCTEOSA-N 0 0 321.421 0.623 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000180992149 199237848 /nfs/dbraw/zinc/23/78/48/199237848.db2.gz WYKPJVHNGDQLHS-CYBMUJFWSA-N 0 0 317.345 0.884 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000193954618 283383403 /nfs/dbraw/zinc/38/34/03/283383403.db2.gz MKDUFPZXPAZHQY-STQMWFEESA-N 0 0 309.410 0.810 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000153440808 237020652 /nfs/dbraw/zinc/02/06/52/237020652.db2.gz SADQKJJRDWIRNZ-CQSZACIVSA-N 0 0 318.439 0.828 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156773263 237052346 /nfs/dbraw/zinc/05/23/46/237052346.db2.gz QKKBYWBWGADHNS-GFCCVEGCSA-N 0 0 324.299 0.151 10 0 DCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000162359887 237108372 /nfs/dbraw/zinc/10/83/72/237108372.db2.gz AJYKENFIDJYQRR-GXFFZTMASA-N 0 0 318.377 0.690 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000163273875 237112827 /nfs/dbraw/zinc/11/28/27/237112827.db2.gz WLJIOYSOXJNGRX-JTQLQIEISA-N 0 0 319.336 0.913 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)CCCF)CCO2)n1 ZINC000175568409 237184115 /nfs/dbraw/zinc/18/41/15/237184115.db2.gz CPUDLUJHHUUEPL-CYBMUJFWSA-N 0 0 319.402 0.890 10 0 DCAERN CCc1oc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1C ZINC000177785991 237220007 /nfs/dbraw/zinc/22/00/07/237220007.db2.gz YEPOMLWHTURNBP-UHFFFAOYSA-N 0 0 300.380 0.868 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)ccc1F ZINC000187263300 200085731 /nfs/dbraw/zinc/08/57/31/200085731.db2.gz KRJKMSGRNRWTFH-NSHDSACASA-N 0 0 323.368 0.923 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)ccc1F ZINC000187263285 200085774 /nfs/dbraw/zinc/08/57/74/200085774.db2.gz KRJKMSGRNRWTFH-LLVKDONJSA-N 0 0 323.368 0.923 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)nc1C ZINC000185327229 237299295 /nfs/dbraw/zinc/29/92/95/237299295.db2.gz UBQXCBCUZFCDAM-GHMZBOCLSA-N 0 0 306.410 0.929 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)CCN1CCO ZINC000187652891 237351984 /nfs/dbraw/zinc/35/19/84/237351984.db2.gz XXVGBPRWEJZODI-OAHLLOKOSA-N 0 0 317.433 0.570 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCN(CCO)[C@@H](C)C1 ZINC000187676202 237357209 /nfs/dbraw/zinc/35/72/09/237357209.db2.gz XWJCGOHXNBQCBO-KBPBESRZSA-N 0 0 323.412 0.829 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)NCC1(CCO)CC1)C2=O ZINC000187934659 237361398 /nfs/dbraw/zinc/36/13/98/237361398.db2.gz FULBQEWSOAKEGL-UHFFFAOYSA-N 0 0 316.357 0.870 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccsc1 ZINC000188817586 237380555 /nfs/dbraw/zinc/38/05/55/237380555.db2.gz FVBQHXJSCWOYRO-SECBINFHSA-N 0 0 304.331 0.673 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189025477 237387555 /nfs/dbraw/zinc/38/75/55/237387555.db2.gz JIOYFMCYANPBOH-JTQLQIEISA-N 0 0 315.337 0.357 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCN(CCO)[C@@H](C)C2)cs1 ZINC000188713873 200292082 /nfs/dbraw/zinc/29/20/82/200292082.db2.gz GCBZMJGKBWCEGR-VIFPVBQESA-N 0 0 312.395 0.240 10 0 DCAERN CC(C)N(CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000153972460 291209723 /nfs/dbraw/zinc/20/97/23/291209723.db2.gz HHHHGNXIZWOEAK-CQSZACIVSA-N 0 0 316.442 0.732 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000262280065 291210171 /nfs/dbraw/zinc/21/01/71/291210171.db2.gz NSXRZWWWFNHNMN-RDBSUJKOSA-N 0 0 309.410 0.224 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H](C)C[S@@](C)=O)cc1C ZINC000154016545 291210231 /nfs/dbraw/zinc/21/02/31/291210231.db2.gz ULFIQDKUMDOEPP-QKVFXAPYSA-N 0 0 310.419 0.916 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000154542139 291214062 /nfs/dbraw/zinc/21/40/62/291214062.db2.gz OYAMPJHZZACIQN-CYBMUJFWSA-N 0 0 322.413 0.463 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCCNS(C)(=O)=O ZINC000155673629 291221176 /nfs/dbraw/zinc/22/11/76/291221176.db2.gz CNAWQEYRXNMVEL-UHFFFAOYSA-N 0 0 304.372 0.606 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246694398 238160409 /nfs/dbraw/zinc/16/04/09/238160409.db2.gz ZTAVCLVCLPIMAN-XVIXHAIJSA-N 0 0 311.426 0.454 10 0 DCAERN Cc1cc(NC(=O)CN(C)C(=O)CCc2ccnn2C)no1 ZINC000163687669 291246837 /nfs/dbraw/zinc/24/68/37/291246837.db2.gz FDHMVBQGLPVHIG-UHFFFAOYSA-N 0 0 305.338 0.746 10 0 DCAERN Cc1ncc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(C)n1 ZINC000276855148 238328719 /nfs/dbraw/zinc/32/87/19/238328719.db2.gz ZWGWKZCKMFAYAS-AWEZNQCLSA-N 0 0 314.393 0.956 10 0 DCAERN O=C(NC1CC1)c1noc([C@H]2CCCN2CCn2cccn2)n1 ZINC000328625891 291259631 /nfs/dbraw/zinc/25/96/31/291259631.db2.gz DQSXCJOYZSCOQH-GFCCVEGCSA-N 0 0 316.365 0.995 10 0 DCAERN COc1cccc(C(=O)NCCN2CCCS2(=O)=O)c1F ZINC000090371951 192922072 /nfs/dbraw/zinc/92/20/72/192922072.db2.gz ALJDDHSPBXCVCA-UHFFFAOYSA-N 0 0 316.354 0.600 10 0 DCAERN Cc1csc2ncc(C(=O)N[C@H]3CCC(=O)N(C)C3)c(=O)n12 ZINC000271853626 209270352 /nfs/dbraw/zinc/27/03/52/209270352.db2.gz CNQRKKDDCVXYIV-VIFPVBQESA-N 0 0 320.374 0.415 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408221324 299341313 /nfs/dbraw/zinc/34/13/13/299341313.db2.gz GGJDINRHMSZLGS-UHIISALHSA-N 0 0 320.455 0.618 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)C[C@@H](C)S1=O ZINC000566772856 291322354 /nfs/dbraw/zinc/32/23/54/291322354.db2.gz JLGHGHNSAULNRG-MQYQWHSLSA-N 0 0 305.440 0.384 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)C1CC1 ZINC000275406345 212314129 /nfs/dbraw/zinc/31/41/29/212314129.db2.gz BJEQFHVZCWDYHR-KGLIPLIRSA-N 0 0 321.425 0.843 10 0 DCAERN COCCCNS(=O)(=O)c1ccc(NC(=O)COC)cc1 ZINC000006735262 181379990 /nfs/dbraw/zinc/37/99/90/181379990.db2.gz DUPCKGHQGFXOGS-UHFFFAOYSA-N 0 0 316.379 0.586 10 0 DCAERN CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1c(Cl)cnn1C ZINC000429860702 240378338 /nfs/dbraw/zinc/37/83/38/240378338.db2.gz NNRGIQBCQPIMEJ-WCBMZHEXSA-N 0 0 307.803 0.855 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246561855 283839036 /nfs/dbraw/zinc/83/90/36/283839036.db2.gz DNNHTISAHJRIGC-RISCZKNCSA-N 0 0 324.352 0.877 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1nnc2ccccn21 ZINC000441209561 240505196 /nfs/dbraw/zinc/50/51/96/240505196.db2.gz SCXCSMGJWIMICH-VHSXEESVSA-N 0 0 302.338 0.196 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000091244613 193026079 /nfs/dbraw/zinc/02/60/79/193026079.db2.gz LZALKFUTHNQVJG-RYUDHWBXSA-N 0 0 321.377 0.300 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@H]1C(N)=O)C(=O)c1cccc(F)c1 ZINC000091778638 193106440 /nfs/dbraw/zinc/10/64/40/193106440.db2.gz IRLMQPYFDDRLFG-GWCFXTLKSA-N 0 0 322.336 0.747 10 0 DCAERN Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784171 193107407 /nfs/dbraw/zinc/10/74/07/193107407.db2.gz BWAGEPDGEHWFEH-AWEZNQCLSA-N 0 0 318.373 0.979 10 0 DCAERN CCCN(CC)c1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cn1 ZINC000091810827 193111496 /nfs/dbraw/zinc/11/14/96/193111496.db2.gz WXEAJLIDWNIAAH-CYBMUJFWSA-N 0 0 320.393 0.644 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC(C)(C)O)c1 ZINC000456081061 240875717 /nfs/dbraw/zinc/87/57/17/240875717.db2.gz KWELORMNAGQMKE-SNVBAGLBSA-N 0 0 314.407 0.874 10 0 DCAERN COCCNC(=O)CNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457422178 241002139 /nfs/dbraw/zinc/00/21/39/241002139.db2.gz ZJHREJJTMLCECV-UHFFFAOYSA-N 0 0 308.334 0.274 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(CC)C2)C1 ZINC000459036573 241053869 /nfs/dbraw/zinc/05/38/69/241053869.db2.gz DQXQETYBWOBGJR-VXGBXAGGSA-N 0 0 310.398 0.307 10 0 DCAERN CN(CC1(O)CCC1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000568015692 291398019 /nfs/dbraw/zinc/39/80/19/291398019.db2.gz DUHCPAYVPVZEQZ-UHFFFAOYSA-N 0 0 302.334 0.646 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092231306 193177305 /nfs/dbraw/zinc/17/73/05/193177305.db2.gz RRIYPHYVXICTBQ-OAHLLOKOSA-N 0 0 319.405 0.610 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000092230809 193177489 /nfs/dbraw/zinc/17/74/89/193177489.db2.gz JDDFNCWYCOMRNJ-NSHDSACASA-N 0 0 306.297 0.562 10 0 DCAERN Cc1cc(C)c(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000092230352 193177692 /nfs/dbraw/zinc/17/76/92/193177692.db2.gz NYJDVZJJUNTCEL-CYBMUJFWSA-N 0 0 305.378 0.736 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000408298516 284036691 /nfs/dbraw/zinc/03/66/91/284036691.db2.gz OPOVXZXQULHTRA-GRYCIOLGSA-N 0 0 311.382 0.448 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@@H]1C ZINC000368240858 284042917 /nfs/dbraw/zinc/04/29/17/284042917.db2.gz DVNTYZVVOXLZMU-ODXJTPSBSA-N 0 0 311.378 0.696 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367527223 291443495 /nfs/dbraw/zinc/44/34/95/291443495.db2.gz MUUUSFCQQHDQNY-ZOBORPQBSA-N 0 0 310.394 0.507 10 0 DCAERN CC(C)N1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1=O ZINC000275059110 212097921 /nfs/dbraw/zinc/09/79/21/212097921.db2.gz QJXQNRKQHCCYAX-UHFFFAOYSA-N 0 0 315.333 0.423 10 0 DCAERN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000093531272 193264648 /nfs/dbraw/zinc/26/46/48/193264648.db2.gz FJCIHNGMQDNKDC-LBPRGKRZSA-N 0 0 314.407 0.827 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000569575026 291485505 /nfs/dbraw/zinc/48/55/05/291485505.db2.gz SYEMUCYYGPXMPU-SNVBAGLBSA-N 0 0 318.424 0.073 10 0 DCAERN C[C@@H]1CN(c2nnc(CNC(=O)c3ccco3)n2C)C[C@@H](C)O1 ZINC000282402903 216969732 /nfs/dbraw/zinc/96/97/32/216969732.db2.gz HUGLXBTXXSTERH-GHMZBOCLSA-N 0 0 319.365 0.952 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N[C@H]1CCCc2c[nH]nc21 ZINC000268979540 284240604 /nfs/dbraw/zinc/24/06/04/284240604.db2.gz MNSDXCCKHUCGBF-QWRGUYRKSA-N 0 0 301.354 0.693 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)NC2=O)oc2c1C(=O)CCC2 ZINC000178519558 291531919 /nfs/dbraw/zinc/53/19/19/291531919.db2.gz BHQXJWRCKPRNAD-QMMMGPOBSA-N 0 0 304.302 0.642 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)[nH]n1 ZINC000282554062 217084643 /nfs/dbraw/zinc/08/46/43/217084643.db2.gz XLBHSTQUQXSICQ-UONOGXRCSA-N 0 0 321.425 0.938 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)NCc1cccnc1N(C)C ZINC000190065017 284318667 /nfs/dbraw/zinc/31/86/67/284318667.db2.gz WNMAQLJNUDSLJD-NSHDSACASA-N 0 0 307.398 0.814 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCNC(=O)C1 ZINC000245772261 291551528 /nfs/dbraw/zinc/55/15/28/291551528.db2.gz NGTLKWXLBWUTRP-LOWDOPEQSA-N 0 0 308.378 0.845 10 0 DCAERN COc1ccccc1N1C(=O)S[C@@H](CC(=O)NCCO)C1=O ZINC000016905651 182064757 /nfs/dbraw/zinc/06/47/57/182064757.db2.gz OTRHNJXFLXRDHL-NSHDSACASA-N 0 0 324.358 0.762 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000023155538 182352347 /nfs/dbraw/zinc/35/23/47/182352347.db2.gz XBGUWXUSNJDUAI-UHFFFAOYSA-N 0 0 310.375 0.428 10 0 DCAERN CC(C)c1cc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)no1 ZINC000274500021 211666999 /nfs/dbraw/zinc/66/69/99/211666999.db2.gz UZMSUJUCTVOHPI-OAHLLOKOSA-N 0 0 323.349 0.754 10 0 DCAERN Cc1c(C(=O)N[C@H](C)[C@H]2CCCO2)cnn1-c1ccc(=O)[nH]n1 ZINC000027891960 182496424 /nfs/dbraw/zinc/49/64/24/182496424.db2.gz DUQHVBKHDPHUMP-BXKDBHETSA-N 0 0 317.349 0.974 10 0 DCAERN CS(=O)(=O)CC1(CN2C(=O)N[C@H](CC3CC3)C2=O)CC1 ZINC000573185633 291615173 /nfs/dbraw/zinc/61/51/73/291615173.db2.gz FDDGASCMSNSQSC-SNVBAGLBSA-N 0 0 300.380 0.532 10 0 DCAERN CNC(=O)CN(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555741 182907447 /nfs/dbraw/zinc/90/74/47/182907447.db2.gz GPWOZAQXCNGUGL-UHFFFAOYSA-N 0 0 316.770 0.354 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN2C(=O)NC[C@H]2C1 ZINC000330278473 296256520 /nfs/dbraw/zinc/25/65/20/296256520.db2.gz PSGCHZJDBQQRCJ-VIFPVBQESA-N 0 0 316.317 0.721 10 0 DCAERN COCC(=O)NCCCc1nc2ccccc2n1CC(=O)OC ZINC000040204718 183045713 /nfs/dbraw/zinc/04/57/13/183045713.db2.gz DDRLSKKZHZYUHD-UHFFFAOYSA-N 0 0 319.361 0.905 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(N)c2)CC1 ZINC000040319131 183053884 /nfs/dbraw/zinc/05/38/84/183053884.db2.gz YSUWOVYBHFYQQZ-UHFFFAOYSA-N 0 0 311.407 0.758 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040378352 183058063 /nfs/dbraw/zinc/05/80/63/183058063.db2.gz PAQAOUJZMOWTDE-CYBMUJFWSA-N 0 0 311.407 0.261 10 0 DCAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000185598090 296262454 /nfs/dbraw/zinc/26/24/54/296262454.db2.gz HUKXQMZMAWAILF-SSDOTTSWSA-N 0 0 306.746 0.988 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC2)c(F)c1 ZINC000042278674 183250217 /nfs/dbraw/zinc/25/02/17/183250217.db2.gz LASLKALAOFTCDC-UHFFFAOYSA-N 0 0 308.356 0.161 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000408072035 296271607 /nfs/dbraw/zinc/27/16/07/296271607.db2.gz FEFNJCHQBOYSLM-ZQNQSHIBSA-N 0 0 324.421 0.680 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000408072032 296271647 /nfs/dbraw/zinc/27/16/47/296271647.db2.gz FEFNJCHQBOYSLM-LXFSFDBISA-N 0 0 324.421 0.680 10 0 DCAERN CC(=O)c1cccc(CNC(=O)[C@H](O)Cc2cnn(C)c2)c1 ZINC000574338024 291689272 /nfs/dbraw/zinc/68/92/72/291689272.db2.gz NYUMRJRAZFVPJF-OAHLLOKOSA-N 0 0 301.346 0.843 10 0 DCAERN COCCS(=O)(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000104741500 194033992 /nfs/dbraw/zinc/03/39/92/194033992.db2.gz WBWFYLCJPZJIIV-LBPRGKRZSA-N 0 0 310.379 0.768 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104797577 194041162 /nfs/dbraw/zinc/04/11/62/194041162.db2.gz NJHQWKBIRDKFEP-LSDHHAIUSA-N 0 0 307.394 0.658 10 0 DCAERN O=C(NCc1ccnc(N2CCCC2)c1)N1CCNC(=O)CC1 ZINC000105104102 194074625 /nfs/dbraw/zinc/07/46/25/194074625.db2.gz YZOXMDYDGROOSD-UHFFFAOYSA-N 0 0 317.393 0.713 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCCCNc2ccccn2)C1 ZINC000105279814 194092042 /nfs/dbraw/zinc/09/20/42/194092042.db2.gz DCOIYIJSMCGIJR-CQSZACIVSA-N 0 0 321.425 0.904 10 0 DCAERN O=c1[nH]c2cccc(-c3nc([C@@H]4CN5CCN4CC5)no3)c2o1 ZINC000273860729 211120156 /nfs/dbraw/zinc/12/01/56/211120156.db2.gz CDESFJDGTHFFFX-NSHDSACASA-N 0 0 313.317 0.843 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)NCC(F)(F)F ZINC000105798240 194130950 /nfs/dbraw/zinc/13/09/50/194130950.db2.gz WQGAJFPRSDTOTB-UHFFFAOYSA-N 0 0 317.315 0.667 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804426 194131130 /nfs/dbraw/zinc/13/11/30/194131130.db2.gz MVISNYZUPQYLEP-UHFFFAOYSA-N 0 0 320.397 0.589 10 0 DCAERN COCCCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105909178 194167292 /nfs/dbraw/zinc/16/72/92/194167292.db2.gz OWUXSEIUQKBJND-UHFFFAOYSA-N 0 0 307.398 0.141 10 0 DCAERN CN(C)C(=O)CNC(=O)NCCOc1ccc(F)cc1F ZINC000106520066 194223561 /nfs/dbraw/zinc/22/35/61/194223561.db2.gz XOVMKCZHTHHLTM-UHFFFAOYSA-N 0 0 301.293 0.731 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000183816530 284840529 /nfs/dbraw/zinc/84/05/29/284840529.db2.gz XFLHYKVVFFAOGT-CMPLNLGQSA-N 0 0 303.428 0.549 10 0 DCAERN CS(=O)(=O)Nc1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1F ZINC000110358972 194325267 /nfs/dbraw/zinc/32/52/67/194325267.db2.gz QTKBDLCMYICDEF-SSDOTTSWSA-N 0 0 315.326 0.272 10 0 DCAERN CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000110360895 194325338 /nfs/dbraw/zinc/32/53/38/194325338.db2.gz HUUVRVZQQMOINN-VIFPVBQESA-N 0 0 311.363 0.523 10 0 DCAERN Cn1cc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000110952915 194373668 /nfs/dbraw/zinc/37/36/68/194373668.db2.gz NBGYOJPBKJAGMN-OAHLLOKOSA-N 0 0 306.410 0.676 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000056984079 184023355 /nfs/dbraw/zinc/02/33/55/184023355.db2.gz DIGQXBSUUFWGSM-STQMWFEESA-N 0 0 321.381 0.150 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2)cc1Cl ZINC000062777961 184253300 /nfs/dbraw/zinc/25/33/00/184253300.db2.gz VUVRNTOWZHDAAQ-UHFFFAOYSA-N 0 0 300.727 0.963 10 0 DCAERN CCNC(=O)CN1CCN(Cc2ccccc2C)C(=O)C1=O ZINC000064888756 184305840 /nfs/dbraw/zinc/30/58/40/184305840.db2.gz LCKJDCLHOQWDDH-UHFFFAOYSA-N 0 0 303.362 0.302 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000067717249 184481923 /nfs/dbraw/zinc/48/19/23/184481923.db2.gz CXEALANHKBENBG-VXGBXAGGSA-N 0 0 316.427 0.596 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000179735742 252611247 /nfs/dbraw/zinc/61/12/47/252611247.db2.gz DMRAZOGCXFDCGU-DGCLKSJQSA-N 0 0 314.769 0.266 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000295593154 252632869 /nfs/dbraw/zinc/63/28/69/252632869.db2.gz KVBCPXBYEKQTJE-AGIUHOORSA-N 0 0 316.357 0.956 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)N3CC(F)C3)C2)c1=O ZINC000333347143 252709730 /nfs/dbraw/zinc/70/97/30/252709730.db2.gz VAGLHNMBBNYMKQ-NSHDSACASA-N 0 0 309.345 0.112 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCCOCC1 ZINC000333423133 252721026 /nfs/dbraw/zinc/72/10/26/252721026.db2.gz GKLZKKWHPFUBOD-GHMZBOCLSA-N 0 0 305.400 0.018 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC(=O)N1C ZINC000333760773 252760489 /nfs/dbraw/zinc/76/04/89/252760489.db2.gz PFGDVXYQFJVZTI-NVGYGPBWSA-N 0 0 317.393 0.790 10 0 DCAERN Cc1noc(CCNC(=O)c2cnc3cc(C)ccn3c2=O)n1 ZINC000119624795 195005345 /nfs/dbraw/zinc/00/53/45/195005345.db2.gz OKBFAUWWUHJTGX-UHFFFAOYSA-N 0 0 313.317 0.667 10 0 DCAERN C[C@H](NC(=O)C1(NC(N)=O)CC1)c1cn(-c2ccccc2)nn1 ZINC000119636379 195007917 /nfs/dbraw/zinc/00/79/17/195007917.db2.gz NVAYSOOQJDVUKY-JTQLQIEISA-N 0 0 314.349 0.645 10 0 DCAERN Cc1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)n1 ZINC000119897524 195058547 /nfs/dbraw/zinc/05/85/47/195058547.db2.gz UZQRRECKQPCWOF-SNVBAGLBSA-N 0 0 322.390 0.867 10 0 DCAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NC[C@@](C)(O)CO)cc1 ZINC000338626488 252976036 /nfs/dbraw/zinc/97/60/36/252976036.db2.gz NLUWLOBRASLHOF-SUMWQHHRSA-N 0 0 323.389 0.835 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)O ZINC000340914194 253322737 /nfs/dbraw/zinc/32/27/37/253322737.db2.gz WBUYVDAFVKSLKZ-QWRGUYRKSA-N 0 0 321.377 0.883 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3cn4ccccc4n3)CC[C@@H]21 ZINC000286486332 219015144 /nfs/dbraw/zinc/01/51/44/219015144.db2.gz WBVROXLIEJIFCY-OLZOCXBDSA-N 0 0 313.361 0.501 10 0 DCAERN Cn1cc(Br)c(C(=O)N2CCO[C@@H](CO)C2)n1 ZINC000343138827 253606605 /nfs/dbraw/zinc/60/66/05/253606605.db2.gz NXHKUWWPMLNQKI-SSDOTTSWSA-N 0 0 304.144 0.016 10 0 DCAERN CC(=O)c1cc(C(=O)NCCc2nnc3n2CCC3)n(C)c1 ZINC000343164923 253610148 /nfs/dbraw/zinc/61/01/48/253610148.db2.gz NBHARBQPSXKDKP-UHFFFAOYSA-N 0 0 301.350 0.738 10 0 DCAERN O=C1NC[C@H]2CN([C@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182098 296384890 /nfs/dbraw/zinc/38/48/90/296384890.db2.gz WPFNADDYQUZSKF-JSGCOSHPSA-N 0 0 303.337 0.456 10 0 DCAERN COc1ccccc1CN(C)C(=O)CN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346092896 254008343 /nfs/dbraw/zinc/00/83/43/254008343.db2.gz RJGAIUHAYZZALP-QWHCGFSZSA-N 0 0 323.368 0.551 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@H](C)CC[S@](C)=O)on1 ZINC000346161151 254017282 /nfs/dbraw/zinc/01/72/82/254017282.db2.gz WZDPGAVETZTKIJ-SQFXPLBJSA-N 0 0 302.352 0.738 10 0 DCAERN CCC(CC)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346377666 254044739 /nfs/dbraw/zinc/04/47/39/254044739.db2.gz JMQLHJAQJVNUQQ-GFCCVEGCSA-N 0 0 305.444 0.810 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000346908495 254111692 /nfs/dbraw/zinc/11/16/92/254111692.db2.gz KWNPCBHPCICBHE-ZLKJLUDKSA-N 0 0 322.409 0.306 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000194659225 220459137 /nfs/dbraw/zinc/45/91/37/220459137.db2.gz JHVWNDAPTPIOIR-ONGXEEELSA-N 0 0 321.343 0.902 10 0 DCAERN C[C@H](c1ncc(Br)cn1)N1C[C@H](O)C[C@@H]1CO ZINC000347234246 254140831 /nfs/dbraw/zinc/14/08/31/254140831.db2.gz QSPOYOMDGGWJAR-SZEHBUNVSA-N 0 0 302.172 0.728 10 0 DCAERN COc1cccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1OC ZINC000350619035 254319155 /nfs/dbraw/zinc/31/91/55/254319155.db2.gz GZHRQSLDXGMGPU-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN C[C@H](CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1)S(N)(=O)=O ZINC000350620809 254319692 /nfs/dbraw/zinc/31/96/92/254319692.db2.gz OPUFNQDREPMRFY-RDDDGLTNSA-N 0 0 318.782 0.437 10 0 DCAERN COc1cc(Cl)ccc1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350621069 254319953 /nfs/dbraw/zinc/31/99/53/254319953.db2.gz PTWYEDHUVHXDTQ-ZETCQYMHSA-N 0 0 306.771 0.755 10 0 DCAERN C[C@H](CNC(=O)CSc1ccc(F)cc1)S(N)(=O)=O ZINC000350622324 254320248 /nfs/dbraw/zinc/32/02/48/254320248.db2.gz ZGKMSSCRXPLVJF-MRVPVSSYSA-N 0 0 306.384 0.711 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1C ZINC000350630133 254321819 /nfs/dbraw/zinc/32/18/19/254321819.db2.gz WRHWHSSCUZAIFD-ZCFIWIBFSA-N 0 0 301.368 0.241 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000350731705 254324783 /nfs/dbraw/zinc/32/47/83/254324783.db2.gz DVEJKHQAPYOYAT-LBPRGKRZSA-N 0 0 321.352 0.064 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)C2CCCC2)C[C@H](C)O1 ZINC000352560257 254420144 /nfs/dbraw/zinc/42/01/44/254420144.db2.gz OQYDMINZGASFDH-NTZNESFSSA-N 0 0 306.428 0.481 10 0 DCAERN COC(=O)c1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)nc1 ZINC000352024438 254390675 /nfs/dbraw/zinc/39/06/75/254390675.db2.gz GTDAKMUOBXFRGI-JTQLQIEISA-N 0 0 300.380 0.733 10 0 DCAERN Cn1cnc2c1nccc2-c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000289655474 221132412 /nfs/dbraw/zinc/13/24/12/221132412.db2.gz KBUJLFUJUHJURB-NSHDSACASA-N 0 0 311.349 0.691 10 0 DCAERN COCCOc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000188764294 533225410 /nfs/dbraw/zinc/22/54/10/533225410.db2.gz SZHXIQLHEBZJMR-AWEZNQCLSA-N 0 0 322.405 0.850 10 0 DCAERN Cn1cc(N2CC[C@@]3(CCN(C(=O)[C@@H]4CCCO4)C3)C2=O)cn1 ZINC000248133911 257107913 /nfs/dbraw/zinc/10/79/13/257107913.db2.gz NZPMEKDDDBFHMA-XJKSGUPXSA-N 0 0 318.377 0.555 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2OCC[C@]2(c2nnc(C)o2)C1 ZINC000248030070 257110431 /nfs/dbraw/zinc/11/04/31/257110431.db2.gz PHJWUCPOQVIRAO-JQWIXIFHSA-N 0 0 301.368 0.460 10 0 DCAERN CCS(=O)(=O)N1C[C@H]2OCCN(c3ccc(C)nn3)[C@H]2C1 ZINC000247877548 257115547 /nfs/dbraw/zinc/11/55/47/257115547.db2.gz BBAVPYOQDAHXFD-NWDGAFQWSA-N 0 0 312.395 0.024 10 0 DCAERN COCCNC(=O)[C@@H]1CO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000247907954 257115561 /nfs/dbraw/zinc/11/55/61/257115561.db2.gz XLSLKYJDSFLMHL-TUAOUCFPSA-N 0 0 311.407 0.353 10 0 DCAERN O=C(c1cocn1)N1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000247856295 257116031 /nfs/dbraw/zinc/11/60/31/257116031.db2.gz KQZHCNRPYPHABZ-NSHDSACASA-N 0 0 316.317 0.917 10 0 DCAERN O=C([C@H]1CN(c2ncccn2)Cc2cncn21)N1CCCO1 ZINC000247841047 257116335 /nfs/dbraw/zinc/11/63/35/257116335.db2.gz FMLYQIDPGHYKTG-GFCCVEGCSA-N 0 0 300.322 0.398 10 0 DCAERN O=C(c1cnccn1)N1C[C@H]2CCN(c3cnccn3)C[C@H]2C1 ZINC000247840888 257116575 /nfs/dbraw/zinc/11/65/75/257116575.db2.gz FKGTUFSHQHZFHW-OLZOCXBDSA-N 0 0 310.361 0.865 10 0 DCAERN CS(=O)(=O)NCC[C@@H]1CCOC12CN(Cc1ccco1)C2 ZINC000247506177 257119709 /nfs/dbraw/zinc/11/97/09/257119709.db2.gz GZDIFBSAGQOHFT-GFCCVEGCSA-N 0 0 314.407 0.810 10 0 DCAERN O=S(=O)(NC[C@@H]1CO[C@H]2CN(c3ncccn3)C[C@@H]12)C1CC1 ZINC000245482641 257120273 /nfs/dbraw/zinc/12/02/73/257120273.db2.gz XFARMLQZERLSGG-WXHSDQCUSA-N 0 0 324.406 0.010 10 0 DCAERN C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CCN1S(C)(=O)=O ZINC000253591979 257105492 /nfs/dbraw/zinc/10/54/92/257105492.db2.gz SAIAYFXTAIYSGT-SECBINFHSA-N 0 0 312.395 0.359 10 0 DCAERN CCO[C@@H]1Cn2cccc2CN(C(=O)CS(C)(=O)=O)C1 ZINC000253381470 257105661 /nfs/dbraw/zinc/10/56/61/257105661.db2.gz DWHSPAJHCGGNFO-GFCCVEGCSA-N 0 0 300.380 0.280 10 0 DCAERN COCC(=O)N1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 ZINC000253600308 257105674 /nfs/dbraw/zinc/10/56/74/257105674.db2.gz JQJBFKAOMZLEMC-CYBMUJFWSA-N 0 0 320.393 0.851 10 0 DCAERN O=S(=O)(CCN1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000185143330 296451259 /nfs/dbraw/zinc/45/12/59/296451259.db2.gz QKYNGQAVSLEMIL-OAHLLOKOSA-N 0 0 311.403 0.952 10 0 DCAERN COCc1csc(NC(=O)N2CCN(CCO)[C@@H](C)C2)n1 ZINC000189052743 533265916 /nfs/dbraw/zinc/26/59/16/533265916.db2.gz WWZAFSSBEVZOCN-JTQLQIEISA-N 0 0 314.411 0.820 10 0 DCAERN C[C@@H](O)CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H](C)CO ZINC000189272749 533630817 /nfs/dbraw/zinc/63/08/17/533630817.db2.gz MHSYJCVARUFPIQ-GHMZBOCLSA-N 0 0 313.398 0.890 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)C1 ZINC000276281670 130469014 /nfs/dbraw/zinc/46/90/14/130469014.db2.gz ZQGJEZZUOIRBOE-SECBINFHSA-N 0 0 316.361 0.424 10 0 DCAERN COc1nc(N2CC(=O)N(C)[C@H](C)C2)ncc1Br ZINC000283669630 131012535 /nfs/dbraw/zinc/01/25/35/131012535.db2.gz YBJNRPMIIJKXHY-SSDOTTSWSA-N 0 0 315.171 0.915 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278618 131066069 /nfs/dbraw/zinc/06/60/69/131066069.db2.gz YRUQUDFBLHBILP-QWHCGFSZSA-N 0 0 321.377 0.331 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367747 131074676 /nfs/dbraw/zinc/07/46/76/131074676.db2.gz FDVCDIRURQSULQ-STQMWFEESA-N 0 0 301.350 0.274 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C[C@H]1C(N)=O ZINC000284519657 131088396 /nfs/dbraw/zinc/08/83/96/131088396.db2.gz GACQSCJNLCPTKN-ZWNOBZJWSA-N 0 0 315.373 0.789 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000284558251 131092060 /nfs/dbraw/zinc/09/20/60/131092060.db2.gz FLVOSOPQMDCMIC-QWHCGFSZSA-N 0 0 314.407 0.990 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000284625671 131097928 /nfs/dbraw/zinc/09/79/28/131097928.db2.gz PPQBGDHBPRCVHU-TUAOUCFPSA-N 0 0 319.409 0.673 10 0 DCAERN O[C@@]1(Cn2ccnn2)CCCN(c2ccnc(C3CC3)n2)C1 ZINC000284665367 131101787 /nfs/dbraw/zinc/10/17/87/131101787.db2.gz HGGNHUDTXGNQGU-HNNXBMFYSA-N 0 0 300.366 0.977 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000284711521 131105321 /nfs/dbraw/zinc/10/53/21/131105321.db2.gz ZLCJKSRUWQXDDZ-HNNXBMFYSA-N 0 0 315.381 0.683 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284739399 131108033 /nfs/dbraw/zinc/10/80/33/131108033.db2.gz MYKIIPPFFTZJAY-MWLCHTKSSA-N 0 0 300.355 0.876 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN3C(=O)OC[C@H]3C2)[nH]1 ZINC000366635928 131108855 /nfs/dbraw/zinc/10/88/55/131108855.db2.gz RRHCUZHONOWCCK-SECBINFHSA-N 0 0 301.306 0.543 10 0 DCAERN CN(C)S(=O)(=O)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000285207030 131147046 /nfs/dbraw/zinc/14/70/46/131147046.db2.gz WWTRBWHJCSGJMA-LLVKDONJSA-N 0 0 302.400 0.284 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000285356345 131160571 /nfs/dbraw/zinc/16/05/71/131160571.db2.gz CFLNRBKFUAVULP-INIZCTEOSA-N 0 0 304.346 0.933 10 0 DCAERN CN(CCC(N)=O)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000285467674 131171482 /nfs/dbraw/zinc/17/14/82/131171482.db2.gz URJAKCFQOYNZQJ-UHFFFAOYSA-N 0 0 316.770 0.484 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000285497903 131174458 /nfs/dbraw/zinc/17/44/58/131174458.db2.gz MAUMRFUSMCSLIG-INIZCTEOSA-N 0 0 306.337 0.696 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)c1cnn(C)c1 ZINC000285524433 131177640 /nfs/dbraw/zinc/17/76/40/131177640.db2.gz TXJOLGDODMOHMA-FPMFFAJLSA-N 0 0 307.398 0.596 10 0 DCAERN CC(C)(C)c1ncc(NC(=O)C(=O)N2CCC[C@@H]2CO)cn1 ZINC000121119180 132152339 /nfs/dbraw/zinc/15/23/39/132152339.db2.gz HLPPTMKGLQEUDI-LLVKDONJSA-N 0 0 306.366 0.696 10 0 DCAERN CCc1onc(C)c1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000121164282 132152797 /nfs/dbraw/zinc/15/27/97/132152797.db2.gz SMVGNULGXOUTNH-JQWIXIFHSA-N 0 0 309.366 0.911 10 0 DCAERN Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)CO2 ZINC000186196170 292009530 /nfs/dbraw/zinc/00/95/30/292009530.db2.gz WGAYSYJHSYQZGB-NEPJUHHUSA-N 0 0 302.330 0.701 10 0 DCAERN Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(O)c1 ZINC000010123563 395685884 /nfs/dbraw/zinc/68/58/84/395685884.db2.gz JWXCZRQGZYKINM-UHFFFAOYSA-N 0 0 313.317 0.783 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C[C@H]1O ZINC000089398471 395710893 /nfs/dbraw/zinc/71/08/93/395710893.db2.gz JBTGQMFISCRBBH-YIYPIFLZSA-N 0 0 322.405 0.781 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 ZINC000032633764 395711908 /nfs/dbraw/zinc/71/19/08/395711908.db2.gz LFLPJUDFWGILQN-QWRGUYRKSA-N 0 0 317.345 0.326 10 0 DCAERN O=C(c1ccc(Oc2ccc(C(=O)C(O)O)cc2)cc1)C(O)O ZINC000033816289 395717501 /nfs/dbraw/zinc/71/75/01/395717501.db2.gz LSWGDCWIVCKUAH-UHFFFAOYSA-N 0 0 318.281 0.466 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@@H](O)C1 ZINC000035623780 395721161 /nfs/dbraw/zinc/72/11/61/395721161.db2.gz SNLVFGLDIZROCL-SNVBAGLBSA-N 0 0 317.363 0.828 10 0 DCAERN O=C1CCC(=O)N1CCSc1nnnn1-c1ccccc1 ZINC000028008465 395695683 /nfs/dbraw/zinc/69/56/83/395695683.db2.gz KWEWWTLRXCHFFC-UHFFFAOYSA-N 0 0 303.347 0.903 10 0 DCAERN Cc1nccn1-c1cncc(N[C@H](C)C(=O)N2CCOCC2)n1 ZINC000091477343 395725233 /nfs/dbraw/zinc/72/52/33/395725233.db2.gz MRXKOSXXUAZCBD-LLVKDONJSA-N 0 0 316.365 0.630 10 0 DCAERN CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](O)C1)N1CCOCC1 ZINC000093351670 395738144 /nfs/dbraw/zinc/73/81/44/395738144.db2.gz AGEBXROIOROZGV-QLFBSQMISA-N 0 0 313.442 0.756 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600949 395738458 /nfs/dbraw/zinc/73/84/58/395738458.db2.gz GGOIUYZOROHYLO-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCN[C@H](c2ccncc2)C1 ZINC000407967745 304315307 /nfs/dbraw/zinc/31/53/07/304315307.db2.gz RGOKWPHVXDZJNU-KBPBESRZSA-N 0 0 302.378 0.613 10 0 DCAERN CO[C@@H]1[C@H](O)[C@H](COCc2ccccc2)O[C@H](OC)[C@H]1OC ZINC000106383740 395782474 /nfs/dbraw/zinc/78/24/74/395782474.db2.gz APZUEGZIJXFXRZ-OTJKEOIZSA-N 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LAJPMAQWMIPLTR-KBPBESRZSA-N 0 0 324.425 0.243 10 0 DCAERN COC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000048424715 395814818 /nfs/dbraw/zinc/81/48/18/395814818.db2.gz UIQICZWYOMAIOC-SSDOTTSWSA-N 0 0 317.754 0.828 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195079788 395815208 /nfs/dbraw/zinc/81/52/08/395815208.db2.gz RINJXKOYPMFGQL-ZDUSSCGKSA-N 0 0 317.389 0.861 10 0 DCAERN C[C@@H]1NC(C(=O)NCC2(C)COC2)=NN(c2ccccc2)C1=O ZINC000112693761 395821247 /nfs/dbraw/zinc/82/12/47/395821247.db2.gz VEUPMHZQFRAKRT-NSHDSACASA-N 0 0 316.361 0.478 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000112725347 395823012 /nfs/dbraw/zinc/82/30/12/395823012.db2.gz BFMISSXOTZGXMM-LBPRGKRZSA-N 0 0 317.324 0.278 10 0 DCAERN CC1(CNC(=O)NC[C@H](O)COc2ccc(F)cc2)COC1 ZINC000112753269 395824133 /nfs/dbraw/zinc/82/41/33/395824133.db2.gz GBDHWTJCBXUVOU-LBPRGKRZSA-N 0 0 312.341 0.901 10 0 DCAERN CCCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429061 395826511 /nfs/dbraw/zinc/82/65/11/395826511.db2.gz ULTCEYIODGCYJI-SNVBAGLBSA-N 0 0 317.415 0.474 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H]1CCCOC1 ZINC000195484191 395829309 /nfs/dbraw/zinc/82/93/09/395829309.db2.gz YSBYLCINPFLBPS-VIFPVBQESA-N 0 0 318.420 0.860 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000195505351 395829649 /nfs/dbraw/zinc/82/96/49/395829649.db2.gz YADFVNVJTLQPCB-JTQLQIEISA-N 0 0 305.382 0.966 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504733 395829909 /nfs/dbraw/zinc/82/99/09/395829909.db2.gz BIUFAFBHWAMTMC-LLVKDONJSA-N 0 0 308.382 0.277 10 0 DCAERN CCn1cc(C2CCN([C@H](C)C(=O)NCC(=O)OC)CC2)cn1 ZINC000195501600 395830069 /nfs/dbraw/zinc/83/00/69/395830069.db2.gz OZWHKXQWJRLIGJ-GFCCVEGCSA-N 0 0 322.409 0.760 10 0 DCAERN CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000212704153 395836111 /nfs/dbraw/zinc/83/61/11/395836111.db2.gz SHRURGQHYALZJU-UHFFFAOYSA-N 0 0 313.760 0.983 10 0 DCAERN COC(=O)[C@@H]1CN(c2ncncc2Br)CCO1 ZINC000211871882 395836139 /nfs/dbraw/zinc/83/61/39/395836139.db2.gz WFYLEIOCPUJOLH-QMMMGPOBSA-N 0 0 302.128 0.617 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C2)cn1 ZINC000116422784 395843614 /nfs/dbraw/zinc/84/36/14/395843614.db2.gz HWVJMECDRILHGJ-GFCCVEGCSA-N 0 0 319.409 0.978 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370794 395844095 /nfs/dbraw/zinc/84/40/95/395844095.db2.gz WVTVEZNVLQVNDH-LLVKDONJSA-N 0 0 302.400 0.032 10 0 DCAERN CC[C@H](OC1CCCC1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116829961 395846076 /nfs/dbraw/zinc/84/60/76/395846076.db2.gz JXEXQNIVGDDDON-AAEUAGOBSA-N 0 0 318.439 0.874 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000116831741 395846986 /nfs/dbraw/zinc/84/69/86/395846986.db2.gz JSJYAXPWPXFTCX-QMMMGPOBSA-N 0 0 322.308 0.868 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)NCc2cscn2)CC1 ZINC000051307817 395849236 /nfs/dbraw/zinc/84/92/36/395849236.db2.gz HXEFCLWMWIZLOA-UHFFFAOYSA-N 0 0 318.424 0.320 10 0 DCAERN COCCN1CCN(C(=O)Nc2cccc(C(N)=O)c2)C[C@H]1C ZINC000117398213 395853026 /nfs/dbraw/zinc/85/30/26/395853026.db2.gz UBXQYQDNUAKAIV-GFCCVEGCSA-N 0 0 320.393 0.970 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3C(=O)NCC[C@H]3C)no2)c1 ZINC000194291264 395792568 /nfs/dbraw/zinc/79/25/68/395792568.db2.gz GRULPTPZXPRSBN-ZWNOBZJWSA-N 0 0 317.349 0.482 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000194282754 395792758 /nfs/dbraw/zinc/79/27/58/395792758.db2.gz NMQULMJZLJXSLM-QWHCGFSZSA-N 0 0 323.397 0.950 10 0 DCAERN CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1C ZINC000108867438 395794380 /nfs/dbraw/zinc/79/43/80/395794380.db2.gz MIYRHWGLGOODFC-ZDUSSCGKSA-N 0 0 319.409 0.565 10 0 DCAERN COCCNC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081309 395796552 /nfs/dbraw/zinc/79/65/52/395796552.db2.gz HLCLNEOBFVKEJJ-QWRGUYRKSA-N 0 0 312.316 0.947 10 0 DCAERN Cc1cnn(CCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000118081772 395858043 /nfs/dbraw/zinc/85/80/43/395858043.db2.gz OWJGVPUTSBYMEN-NWDGAFQWSA-N 0 0 316.427 0.655 10 0 DCAERN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194602587 395800778 /nfs/dbraw/zinc/80/07/78/395800778.db2.gz PNKPNLQNRHWXBI-NSHDSACASA-N 0 0 316.352 0.884 10 0 DCAERN CN1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1=O ZINC000122547207 395887036 /nfs/dbraw/zinc/88/70/36/395887036.db2.gz YBJLKBFSWASUPA-QMMMGPOBSA-N 0 0 323.296 0.609 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1ccc(C(N)=O)nc1)C1CCCC1 ZINC000122724096 395888895 /nfs/dbraw/zinc/88/88/95/395888895.db2.gz ZQIORAJGUBSXNO-ZDUSSCGKSA-N 0 0 304.350 0.814 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1ccc(C(N)=O)nc1)C1CCCC1 ZINC000122724293 395888991 /nfs/dbraw/zinc/88/89/91/395888991.db2.gz ZQIORAJGUBSXNO-CYBMUJFWSA-N 0 0 304.350 0.814 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)NCc1cscn1 ZINC000122986392 395891483 /nfs/dbraw/zinc/89/14/83/395891483.db2.gz BALPOZYAOQAJKS-UHFFFAOYSA-N 0 0 317.436 0.965 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1=O ZINC000133924516 395929447 /nfs/dbraw/zinc/92/94/47/395929447.db2.gz UGVVTSKTHWCLFR-YNEHKIRRSA-N 0 0 309.410 0.761 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@@H](C)O1 ZINC000123514106 395895147 /nfs/dbraw/zinc/89/51/47/395895147.db2.gz FOTPPMQZJROMNB-HHTDUIENSA-N 0 0 312.410 0.944 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(F)cc2)C[C@@H](C)O1 ZINC000123545635 395895184 /nfs/dbraw/zinc/89/51/84/395895184.db2.gz WNNFNNPRNJTTFP-RISCZKNCSA-N 0 0 324.352 0.704 10 0 DCAERN CN(CCCNC(=O)N[C@H]1CCC(=O)N(C)C1)CC(F)(F)F ZINC000124086155 395900144 /nfs/dbraw/zinc/90/01/44/395900144.db2.gz JXBLZGDNMFYUIG-JTQLQIEISA-N 0 0 324.347 0.791 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000245454636 395930060 /nfs/dbraw/zinc/93/00/60/395930060.db2.gz HLOHEBOQXHWRNG-QWHCGFSZSA-N 0 0 321.425 0.553 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126402199 395912322 /nfs/dbraw/zinc/91/23/22/395912322.db2.gz SRUQBLIMOYXRRB-JTQLQIEISA-N 0 0 312.757 0.120 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1cnn2c1CCCC2 ZINC000127235697 395915136 /nfs/dbraw/zinc/91/51/36/395915136.db2.gz VTIXGWBRCNZGFH-UHFFFAOYSA-N 0 0 314.411 0.279 10 0 DCAERN CSCCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000244153938 395924547 /nfs/dbraw/zinc/92/45/47/395924547.db2.gz UWNILNFWOKCYAE-LLVKDONJSA-N 0 0 308.469 0.317 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225514546 395861704 /nfs/dbraw/zinc/86/17/04/395861704.db2.gz ZRQYTHSVXXFAPY-QWHCGFSZSA-N 0 0 303.355 0.910 10 0 DCAERN CC(=O)N1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000052310518 395862822 /nfs/dbraw/zinc/86/28/22/395862822.db2.gz ASPNQGGHICEWHX-HOTGVXAUSA-N 0 0 323.437 0.711 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC(=O)[C@H](c3ccc(F)cc3)C2)c1 ZINC000225921811 395864547 /nfs/dbraw/zinc/86/45/47/395864547.db2.gz ACVIRZGAHBBGQV-LBPRGKRZSA-N 0 0 323.349 0.916 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000226354973 395865163 /nfs/dbraw/zinc/86/51/63/395865163.db2.gz RTAJJOJWTFVVAY-LLVKDONJSA-N 0 0 304.412 0.991 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000119164663 395867893 /nfs/dbraw/zinc/86/78/93/395867893.db2.gz FWUDGWXMTKJSGQ-LBPRGKRZSA-N 0 0 323.441 0.675 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000052782464 395869531 /nfs/dbraw/zinc/86/95/31/395869531.db2.gz AYIBZCSHYGPTKB-UHFFFAOYSA-N 0 0 316.427 0.572 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000119660230 395873926 /nfs/dbraw/zinc/87/39/26/395873926.db2.gz PIRCFHFILMCCQQ-LBPRGKRZSA-N 0 0 302.378 0.875 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCC(=O)N1 ZINC000119679944 395873973 /nfs/dbraw/zinc/87/39/73/395873973.db2.gz IDFUUQOIEHDSOS-LURJTMIESA-N 0 0 300.112 0.767 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000119637669 395874030 /nfs/dbraw/zinc/87/40/30/395874030.db2.gz DAZZACBOWXMQHN-TUVASFSCSA-N 0 0 311.426 0.772 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1cccnc1Br ZINC000229690731 395875909 /nfs/dbraw/zinc/87/59/09/395875909.db2.gz BKXNXZGCQMPNCS-LLVKDONJSA-N 0 0 301.140 0.725 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119809067 395876617 /nfs/dbraw/zinc/87/66/17/395876617.db2.gz MBIKBANZYHWSPO-AWEZNQCLSA-N 0 0 321.352 0.572 10 0 DCAERN Cc1ccc(NC(=O)CCc2ccnn2C)cc1S(N)(=O)=O ZINC000119850338 395877312 /nfs/dbraw/zinc/87/73/12/395877312.db2.gz XACIRZYCCFXZTH-UHFFFAOYSA-N 0 0 322.390 0.947 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(O)cc2F)C1 ZINC000272263860 395880303 /nfs/dbraw/zinc/88/03/03/395880303.db2.gz QWVVIQUWXSSVPK-MRVPVSSYSA-N 0 0 302.327 0.295 10 0 DCAERN O=C1NCC[C@@H]1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000245666766 395934462 /nfs/dbraw/zinc/93/44/62/395934462.db2.gz ANVOSSLOWTWZTJ-AWEZNQCLSA-N 0 0 323.418 0.272 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCCCN2CCCC2=O)[nH]n1 ZINC000134754136 395934715 /nfs/dbraw/zinc/93/47/15/395934715.db2.gz NTUBJCLJEWAOHI-NSHDSACASA-N 0 0 307.398 0.961 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1 ZINC000135609061 395941289 /nfs/dbraw/zinc/94/12/89/395941289.db2.gz MLVZAYQEHSPCLX-JTQLQIEISA-N 0 0 301.364 0.403 10 0 DCAERN Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000246130255 395941928 /nfs/dbraw/zinc/94/19/28/395941928.db2.gz KUQXRVPQUMCWDK-KGLIPLIRSA-N 0 0 308.378 0.229 10 0 DCAERN C[C@H]1CN(Cc2cn3cccnc3n2)C[C@H]1N1CCOCC1 ZINC000246281340 395946330 /nfs/dbraw/zinc/94/63/30/395946330.db2.gz AJUDANLRIVVWKV-DZGCQCFKSA-N 0 0 301.394 0.882 10 0 DCAERN Cc1c(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000136546236 395947680 /nfs/dbraw/zinc/94/76/80/395947680.db2.gz UGEXPZUJKRGQHM-CZUORRHYSA-N 0 0 320.437 0.840 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccc(N2CCCC2)nn1 ZINC000057823548 395948966 /nfs/dbraw/zinc/94/89/66/395948966.db2.gz DDBJQCBYBSJCSZ-UHFFFAOYSA-N 0 0 317.393 0.819 10 0 DCAERN C[C@@H](NC(=O)CN1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000246423534 395949951 /nfs/dbraw/zinc/94/99/51/395949951.db2.gz APANJEDDARVOEZ-TZMCWYRMSA-N 0 0 320.393 0.128 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000246442640 395950025 /nfs/dbraw/zinc/95/00/25/395950025.db2.gz BLPXQYXMQCDATE-XQQFMLRXSA-N 0 0 318.439 0.325 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000274509530 395954261 /nfs/dbraw/zinc/95/42/61/395954261.db2.gz UGYGWKLHDPIEEH-JTQLQIEISA-N 0 0 300.384 0.050 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000246758390 395957122 /nfs/dbraw/zinc/95/71/22/395957122.db2.gz SZOGMDPBXRGSNV-PWSUYJOCSA-N 0 0 317.411 0.997 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@H](C)OC[C@H]3C)nc2n1 ZINC000059251466 395959051 /nfs/dbraw/zinc/95/90/51/395959051.db2.gz SSIOBHJAYUIUBC-NEPJUHHUSA-N 0 0 303.366 0.919 10 0 DCAERN CC(C)[C@@H]1CCCN1C(=O)NCCN1CCCS1(=O)=O ZINC000142574032 395959989 /nfs/dbraw/zinc/95/99/89/395959989.db2.gz MHYALRLYTDOEQE-LBPRGKRZSA-N 0 0 303.428 0.852 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000144529794 395963318 /nfs/dbraw/zinc/96/33/18/395963318.db2.gz KXTRTPMJFOBYOL-LBPRGKRZSA-N 0 0 314.411 0.165 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)c1nc2ccccc2c(=O)[nH]1 ZINC000152090749 396000427 /nfs/dbraw/zinc/00/04/27/396000427.db2.gz ZCXNMJOIIBKGEH-SECBINFHSA-N 0 0 321.358 0.230 10 0 DCAERN C[C@H](CNC(=O)NC[C@H]1CCCC[C@H]1O)CN1CCOCC1 ZINC000247006247 395963773 /nfs/dbraw/zinc/96/37/73/395963773.db2.gz IJWYNTGSTMARLZ-RBSFLKMASA-N 0 0 313.442 0.805 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCOC3)C2)cn1 ZINC000247037309 395964292 /nfs/dbraw/zinc/96/42/92/395964292.db2.gz UWYQKHPVXUGWCF-STQMWFEESA-N 0 0 307.398 0.867 10 0 DCAERN CC(=O)NNC(=O)c1ccc(I)cc1O ZINC000147129853 395965799 /nfs/dbraw/zinc/96/57/99/395965799.db2.gz CSWWTHAULBLDJV-UHFFFAOYSA-N 0 0 320.086 0.778 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247117903 395966502 /nfs/dbraw/zinc/96/65/02/395966502.db2.gz NUQYHIQWYRYLOQ-ZIAGYGMSSA-N 0 0 320.455 0.538 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000247102480 395967153 /nfs/dbraw/zinc/96/71/53/395967153.db2.gz SLUNUADNKSICHI-WDEREUQCSA-N 0 0 307.325 0.869 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000148298775 395968040 /nfs/dbraw/zinc/96/80/40/395968040.db2.gz GXYFZVZNOZXHNB-LBPRGKRZSA-N 0 0 303.353 0.654 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000061601227 395968810 /nfs/dbraw/zinc/96/88/10/395968810.db2.gz GXYFZVZNOZXHNB-GFCCVEGCSA-N 0 0 303.353 0.654 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247239838 395969722 /nfs/dbraw/zinc/96/97/22/395969722.db2.gz XTWSXKWBWFVXCG-NWDGAFQWSA-N 0 0 310.423 0.877 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000247236456 395970051 /nfs/dbraw/zinc/97/00/51/395970051.db2.gz PFXXTUFVIQUVEV-QJPTWQEYSA-N 0 0 306.428 0.660 10 0 DCAERN NC(=O)[C@H]1CCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000061759263 395970844 /nfs/dbraw/zinc/97/08/44/395970844.db2.gz OMBIWOVKECFKPO-CQSZACIVSA-N 0 0 300.362 0.573 10 0 DCAERN Cc1cc(NC(=O)CN2CCS[C@@H]3COCC[C@H]32)n(C)n1 ZINC000247310571 395971681 /nfs/dbraw/zinc/97/16/81/395971681.db2.gz VJQVQQBSOXBFFO-VXGBXAGGSA-N 0 0 310.423 0.873 10 0 DCAERN CN1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)CCC1=O ZINC000150878847 395974213 /nfs/dbraw/zinc/97/42/13/395974213.db2.gz UAHWZKKMVRMZDT-QWHCGFSZSA-N 0 0 319.409 0.718 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000150920446 395975664 /nfs/dbraw/zinc/97/56/64/395975664.db2.gz SECVCGGGQSKFOF-RYUDHWBXSA-N 0 0 304.412 0.632 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCn1ccnc1 ZINC000150966080 395976477 /nfs/dbraw/zinc/97/64/77/395976477.db2.gz FYYIYUMXUWJTLR-NSHDSACASA-N 0 0 303.370 0.871 10 0 DCAERN O=S(=O)(NCC1(CO)COC1)c1ccc2ncsc2c1 ZINC000274802807 395977699 /nfs/dbraw/zinc/97/76/99/395977699.db2.gz QWZPOMSFRUVMDN-UHFFFAOYSA-N 0 0 314.388 0.584 10 0 DCAERN C[C@H]1CN(C[C@H](O)COCc2cccs2)CCS1(=O)=O ZINC000151057762 395977997 /nfs/dbraw/zinc/97/79/97/395977997.db2.gz VBLVMUGWMOBIHH-RYUDHWBXSA-N 0 0 319.448 0.745 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccncc2Br)C1 ZINC000151131980 395979877 /nfs/dbraw/zinc/97/98/77/395979877.db2.gz XNOLXFNIUFCHNZ-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN CCn1c2ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc2[nH]c(=O)c1=O ZINC000151167881 395980322 /nfs/dbraw/zinc/98/03/22/395980322.db2.gz DNFZSRSKUVNJHN-UWVGGRQHSA-N 0 0 319.361 0.456 10 0 DCAERN CCn1c2ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc2[nH]c(=O)c1=O ZINC000151167978 395980474 /nfs/dbraw/zinc/98/04/74/395980474.db2.gz DNFZSRSKUVNJHN-ZJUUUORDSA-N 0 0 319.361 0.456 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000151141452 395980659 /nfs/dbraw/zinc/98/06/59/395980659.db2.gz XIAMIMDWJDZDCF-VXGBXAGGSA-N 0 0 308.378 0.948 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000151228629 395981786 /nfs/dbraw/zinc/98/17/86/395981786.db2.gz FUZLWXWOMOVEBK-UONOGXRCSA-N 0 0 309.410 0.178 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151228887 395982397 /nfs/dbraw/zinc/98/23/97/395982397.db2.gz FKGYBNRXIKMOFV-BZPMIXESSA-N 0 0 316.423 0.510 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000248317513 395984541 /nfs/dbraw/zinc/98/45/41/395984541.db2.gz NACDQXRZUREXKC-MELADBBJSA-N 0 0 312.410 0.897 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)O1 ZINC000248228324 395984590 /nfs/dbraw/zinc/98/45/90/395984590.db2.gz QGFSXVPHAFVAPM-JSFFLRCESA-N 0 0 315.373 0.657 10 0 DCAERN COCCCCS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248465796 395989211 /nfs/dbraw/zinc/98/92/11/395989211.db2.gz CTYTVWWSUKGRMR-ZIAGYGMSSA-N 0 0 320.455 0.395 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000248542913 395989471 /nfs/dbraw/zinc/98/94/71/395989471.db2.gz CTFRUUYRLJKDLV-ZHAHWJHGSA-N 0 0 302.334 0.967 10 0 DCAERN Cn1ccnc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1=O ZINC000248581337 395990241 /nfs/dbraw/zinc/99/02/41/395990241.db2.gz FJEQATSLMVSNFX-GMTAPVOTSA-N 0 0 304.350 0.859 10 0 DCAERN O=C(c1cn2c(n1)COCC2)N1CCN(c2ccccn2)CC1 ZINC000065231606 395991550 /nfs/dbraw/zinc/99/15/50/395991550.db2.gz MJRYRXOSICWWAM-UHFFFAOYSA-N 0 0 313.361 0.771 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@H]1CCc2nnc(C)n2C1)C1CCCC1 ZINC000065606099 395995144 /nfs/dbraw/zinc/99/51/44/395995144.db2.gz DGTOJDNSJBLZNS-DZGCQCFKSA-N 0 0 319.409 0.712 10 0 DCAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3COCCN3)cc2)n1 ZINC000153411662 396023830 /nfs/dbraw/zinc/02/38/30/396023830.db2.gz JNWFCVJVOBTMSI-ZDUSSCGKSA-N 0 0 314.345 0.672 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@@H](C)CO)C1 ZINC000252698828 396023808 /nfs/dbraw/zinc/02/38/08/396023808.db2.gz PJQLGSCCWWNQAG-QJPTWQEYSA-N 0 0 322.427 0.113 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000253356371 396026152 /nfs/dbraw/zinc/02/61/52/396026152.db2.gz PFQHDRNPQMGYPI-VWYCJHECSA-N 0 0 307.350 0.510 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000253361681 396026435 /nfs/dbraw/zinc/02/64/35/396026435.db2.gz DPOUIPJBGBQCMH-FOGDFJRCSA-N 0 0 312.391 0.936 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153867068 396026601 /nfs/dbraw/zinc/02/66/01/396026601.db2.gz HWRCTBBYIOXJBS-RYUDHWBXSA-N 0 0 305.309 0.917 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CCC(C(N)=O)CC3)n2)n1 ZINC000067711516 396031739 /nfs/dbraw/zinc/03/17/39/396031739.db2.gz NDRKPXNERCNKRE-UHFFFAOYSA-N 0 0 300.366 0.981 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CCC1=O ZINC000154260653 396034753 /nfs/dbraw/zinc/03/47/53/396034753.db2.gz WWNVCWKOTSJMHP-WCQYABFASA-N 0 0 322.340 0.272 10 0 DCAERN O=C(NCc1ccccc1Cn1cncn1)[C@H]1CC(F)(F)CN1 ZINC000261601762 396047755 /nfs/dbraw/zinc/04/77/55/396047755.db2.gz AIFBZLAVAIEDRN-CYBMUJFWSA-N 0 0 321.331 0.940 10 0 DCAERN O=C(NCCNC(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000155382557 396050543 /nfs/dbraw/zinc/05/05/43/396050543.db2.gz ZWVDAXKNZOXAFT-UHFFFAOYSA-N 0 0 305.382 0.825 10 0 DCAERN Cc1cc(NC(=O)CCN2CCS(=O)(=O)[C@H](C)C2)no1 ZINC000155401550 396050903 /nfs/dbraw/zinc/05/09/03/396050903.db2.gz BMUJJORYXSNYEC-SNVBAGLBSA-N 0 0 301.368 0.431 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)c1ccccc1C ZINC000155638300 396055817 /nfs/dbraw/zinc/05/58/17/396055817.db2.gz OPCPCZZMOLUPCO-MRXNPFEDSA-N 0 0 308.378 0.629 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000155835366 396058336 /nfs/dbraw/zinc/05/83/36/396058336.db2.gz NVQDYMCAEAVPKG-RBZFPXEDSA-N 0 0 302.440 0.326 10 0 DCAERN Cc1ccc([C@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)o1 ZINC000159185817 396066805 /nfs/dbraw/zinc/06/68/05/396066805.db2.gz LSRSSBJIEIAAGG-GFCCVEGCSA-N 0 0 318.381 0.995 10 0 DCAERN COc1ccc2[nH]cc(CC(=O)N[C@@H]3CCC(=O)NC3=O)c2c1 ZINC000152217148 396003431 /nfs/dbraw/zinc/00/34/31/396003431.db2.gz GHYFMKGLCFBEEK-CYBMUJFWSA-N 0 0 315.329 0.640 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000249157447 396003503 /nfs/dbraw/zinc/00/35/03/396003503.db2.gz IPDAAEHONHAMMQ-MJBXVCDLSA-N 0 0 303.362 0.881 10 0 DCAERN CNc1nnc(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)s1 ZINC000249269787 396004823 /nfs/dbraw/zinc/00/48/23/396004823.db2.gz IYUKTNLXPDGWRL-SBMIAAHKSA-N 0 0 324.406 0.922 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@]23CCOC3=O)C1 ZINC000249535173 396009169 /nfs/dbraw/zinc/00/91/69/396009169.db2.gz CGOLFTLMVMRDOH-GXTWGEPZSA-N 0 0 316.423 0.440 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Oc2cccnc2)C1 ZINC000152460884 396009887 /nfs/dbraw/zinc/00/98/87/396009887.db2.gz MKTDNXIDUUENCD-AAEUAGOBSA-N 0 0 306.366 0.769 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152477069 396010438 /nfs/dbraw/zinc/01/04/38/396010438.db2.gz VENQLIKITWYKTC-NSHDSACASA-N 0 0 313.427 0.342 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)o1 ZINC000152488534 396010506 /nfs/dbraw/zinc/01/05/06/396010506.db2.gz QUGJZCLORUDRSX-LLVKDONJSA-N 0 0 308.334 0.654 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CCN1CCO ZINC000250108749 396013903 /nfs/dbraw/zinc/01/39/03/396013903.db2.gz SMAKVNNHVLONAI-JSGCOSHPSA-N 0 0 317.389 0.637 10 0 DCAERN CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)CC1 ZINC000066832734 396015335 /nfs/dbraw/zinc/01/53/35/396015335.db2.gz FBCIHINHKPBINT-FKZOYECMSA-N 0 0 321.421 0.808 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)n1 ZINC000251562420 396016335 /nfs/dbraw/zinc/01/63/35/396016335.db2.gz GRXAAHUVMXNEBA-QLFBSQMISA-N 0 0 308.426 0.974 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000251865310 396017643 /nfs/dbraw/zinc/01/76/43/396017643.db2.gz OOHJBDPXBHXUNT-MGPQQGTHSA-N 0 0 323.418 0.421 10 0 DCAERN CC[C@@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443485 396019079 /nfs/dbraw/zinc/01/90/79/396019079.db2.gz ZKEDNKPKUYYANQ-MBNYWOFBSA-N 0 0 311.426 0.611 10 0 DCAERN CC[C@@H]1CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@@H](C)O1 ZINC000252443487 396019129 /nfs/dbraw/zinc/01/91/29/396019129.db2.gz ZKEDNKPKUYYANQ-YRGRVCCFSA-N 0 0 311.426 0.611 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)[C@H]1CCOC1=O ZINC000276677508 396021266 /nfs/dbraw/zinc/02/12/66/396021266.db2.gz ZNJDAWQQWHALBT-IHRRRGAJSA-N 0 0 310.373 0.580 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](CO)OC(C)(C)C2)C1 ZINC000163629196 396086780 /nfs/dbraw/zinc/08/67/80/396086780.db2.gz BSINPJHWYIVWBR-VXGBXAGGSA-N 0 0 306.428 0.435 10 0 DCAERN CS(=O)(=O)Cc1nnc(I)s1 ZINC000069717184 396087834 /nfs/dbraw/zinc/08/78/34/396087834.db2.gz OUFJHKLBDGHQMZ-UHFFFAOYSA-N 0 0 304.134 0.687 10 0 DCAERN Cc1nc(CN2CCN(c3ccc4nncn4n3)CC2)no1 ZINC000069846061 396091946 /nfs/dbraw/zinc/09/19/46/396091946.db2.gz XRNKDWVCZJZMPA-UHFFFAOYSA-N 0 0 300.326 0.138 10 0 DCAERN Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3nnnn3C)C2)n1 ZINC000169785307 396092530 /nfs/dbraw/zinc/09/25/30/396092530.db2.gz HPWAZUKFYSBLJR-ZDUSSCGKSA-N 0 0 317.397 0.820 10 0 DCAERN CCN1C(=O)CN(C(=O)c2ccnn2C)CC12CCOCC2 ZINC000169787308 396092869 /nfs/dbraw/zinc/09/28/69/396092869.db2.gz XJHFNNVMGJPIEB-UHFFFAOYSA-N 0 0 306.366 0.274 10 0 DCAERN Cc1cc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000175731447 396141553 /nfs/dbraw/zinc/14/15/53/396141553.db2.gz KBRJNQPOFMTYLY-BXUZGUMPSA-N 0 0 308.382 0.845 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)C1CCCCC1)N1CCOCC1 ZINC000170839123 396098686 /nfs/dbraw/zinc/09/86/86/396098686.db2.gz WHQSZWURVBKIFN-DZGCQCFKSA-N 0 0 313.442 0.948 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCCCN2CCOCC2)cn1 ZINC000170881160 396100797 /nfs/dbraw/zinc/10/07/97/396100797.db2.gz DXOCGKFTNDRQEP-OAHLLOKOSA-N 0 0 321.425 0.989 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 ZINC000070303136 396100988 /nfs/dbraw/zinc/10/09/88/396100988.db2.gz BVXOAELJYXMMIL-SNVBAGLBSA-N 0 0 301.364 0.403 10 0 DCAERN COc1ccccc1N1CCN(Cc2noc(CN)n2)CC1 ZINC000262141562 396103634 /nfs/dbraw/zinc/10/36/34/396103634.db2.gz MLGTXGZDSCTCGE-UHFFFAOYSA-N 0 0 303.366 0.859 10 0 DCAERN Cc1cnn(CCNC(=O)NCCCNC(=O)C2CCC2)c1 ZINC000175775718 396142309 /nfs/dbraw/zinc/14/23/09/396142309.db2.gz IOPAVCWNKAVCSV-UHFFFAOYSA-N 0 0 307.398 0.797 10 0 DCAERN Cc1noc(CCNC(=O)N2CCN(CC(F)(F)F)CC2)n1 ZINC000171237239 396111892 /nfs/dbraw/zinc/11/18/92/396111892.db2.gz VIURTIIYHUZQBZ-UHFFFAOYSA-N 0 0 321.303 0.810 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286965 396112376 /nfs/dbraw/zinc/11/23/76/396112376.db2.gz HXSXFMHXHVOCTN-LLVKDONJSA-N 0 0 317.345 0.695 10 0 DCAERN CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)OC(C)(C)C ZINC000071788410 396115004 /nfs/dbraw/zinc/11/50/04/396115004.db2.gz MVVCZCPPPRYGOX-NSHDSACASA-N 0 0 301.387 0.932 10 0 DCAERN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCNC(=O)CC1 ZINC000171664268 396121455 /nfs/dbraw/zinc/12/14/55/396121455.db2.gz YYNZOELATRKSGW-LBPRGKRZSA-N 0 0 316.361 0.323 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H](n2cncn2)C1 ZINC000171702496 396122305 /nfs/dbraw/zinc/12/23/05/396122305.db2.gz UEQKUGOFRZFSCZ-RYUDHWBXSA-N 0 0 322.413 0.928 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1Cc1c(Br)cnn1C ZINC000278467247 396126443 /nfs/dbraw/zinc/12/64/43/396126443.db2.gz PYCBQAAHOZLPID-QMMMGPOBSA-N 0 0 322.228 0.802 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)Cc2cnccn2)cc1 ZINC000172234263 396129240 /nfs/dbraw/zinc/12/92/40/396129240.db2.gz AOLUXZDPMIZNJV-UHFFFAOYSA-N 0 0 314.345 0.874 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)Nc3nncs3)C2=O)cn1 ZINC000172219315 396129737 /nfs/dbraw/zinc/12/97/37/396129737.db2.gz PADVZBYQNNQJMF-MRVPVSSYSA-N 0 0 307.339 0.199 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000262359292 396130229 /nfs/dbraw/zinc/13/02/29/396130229.db2.gz VBINGBORVCLVLB-XUJVJEKNSA-N 0 0 320.437 0.989 10 0 DCAERN [NH3+]C1(C(=O)N2CCN(c3ccccc3O)CC2)CCOCC1 ZINC000262364250 396130318 /nfs/dbraw/zinc/13/03/18/396130318.db2.gz WTZPURDSVVMJMT-UHFFFAOYSA-N 0 0 305.378 0.549 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172690173 396132971 /nfs/dbraw/zinc/13/29/71/396132971.db2.gz WGZSLCXWGPXHMK-VXGBXAGGSA-N 0 0 304.346 0.766 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CCS1(=O)=O ZINC000174459469 396138786 /nfs/dbraw/zinc/13/87/86/396138786.db2.gz XQMKCUJMSVYYPJ-SNVBAGLBSA-N 0 0 312.395 0.944 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)CCC1=O ZINC000162900346 396084784 /nfs/dbraw/zinc/08/47/84/396084784.db2.gz UEOAHIOJTVBNJF-RYUDHWBXSA-N 0 0 305.382 0.920 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000162980990 396085222 /nfs/dbraw/zinc/08/52/22/396085222.db2.gz RTDXIBGDABIZNU-STQMWFEESA-N 0 0 315.439 0.551 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)no1 ZINC000263184127 396205438 /nfs/dbraw/zinc/20/54/38/396205438.db2.gz HBYDGYWQLAGKSQ-JTQLQIEISA-N 0 0 315.324 0.019 10 0 DCAERN CC(C)(C)C[C@@H](CO)NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178877605 396212750 /nfs/dbraw/zinc/21/27/50/396212750.db2.gz FMUCUPUSGBWBLZ-NSHDSACASA-N 0 0 314.407 0.861 10 0 DCAERN CN(C)C(=O)COc1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000262604423 396160452 /nfs/dbraw/zinc/16/04/52/396160452.db2.gz FJGHPUZKEUHSDJ-CYBMUJFWSA-N 0 0 307.350 0.081 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000176876082 396161387 /nfs/dbraw/zinc/16/13/87/396161387.db2.gz FFGKEQAHKNJLHW-LLVKDONJSA-N 0 0 318.420 0.587 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176819383 396161702 /nfs/dbraw/zinc/16/17/02/396161702.db2.gz OOEQBMQTMWRHOO-LBPRGKRZSA-N 0 0 320.267 0.388 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000177000988 396164599 /nfs/dbraw/zinc/16/45/99/396164599.db2.gz VKDPMHYQVRGALV-BXKDBHETSA-N 0 0 314.349 0.823 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H](CO)C3)C2)cn1 ZINC000074613681 396168677 /nfs/dbraw/zinc/16/86/77/396168677.db2.gz VDFHQODISCXXHE-UONOGXRCSA-N 0 0 321.425 0.803 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241654 396170206 /nfs/dbraw/zinc/17/02/06/396170206.db2.gz JSACFHDYYHAXPK-WCQYABFASA-N 0 0 308.382 0.574 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000075048056 396174854 /nfs/dbraw/zinc/17/48/54/396174854.db2.gz SZSIQVSSPOOEIW-LLVKDONJSA-N 0 0 319.409 0.953 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177567649 396178893 /nfs/dbraw/zinc/17/88/93/396178893.db2.gz WXBIAYLUDSTXQL-HZMBPMFUSA-N 0 0 307.354 0.708 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000177793256 396183690 /nfs/dbraw/zinc/18/36/90/396183690.db2.gz AGSJBDUYIWXSEA-NEPJUHHUSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000177807217 396184884 /nfs/dbraw/zinc/18/48/84/396184884.db2.gz PRILNOWHKWLVGN-ZJUUUORDSA-N 0 0 318.333 0.808 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCCc2ccccn2)O1 ZINC000178404540 396195690 /nfs/dbraw/zinc/19/56/90/396195690.db2.gz ARCNFSCPNWIXFE-STQMWFEESA-N 0 0 306.366 0.346 10 0 DCAERN CCc1nc2ccccc2n1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000178564251 396199332 /nfs/dbraw/zinc/19/93/32/396199332.db2.gz ROUNLTZWPXVWIV-NSHDSACASA-N 0 0 314.345 0.520 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1CC(F)(F)CN1)c1ccc(F)cc1 ZINC000263102601 396201399 /nfs/dbraw/zinc/20/13/99/396201399.db2.gz ZQAHOPMMZDFWJJ-NSHDSACASA-N 0 0 315.295 0.669 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000181038969 396236129 /nfs/dbraw/zinc/23/61/29/396236129.db2.gz MLNIOKUCKJXBJC-MRXNPFEDSA-N 0 0 323.393 0.627 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000078351133 396243637 /nfs/dbraw/zinc/24/36/37/396243637.db2.gz NTNJAXOSPCPBSN-CYBMUJFWSA-N 0 0 317.455 0.763 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)NCCCc1c(C)nn(C)c1C ZINC000182227839 396247560 /nfs/dbraw/zinc/24/75/60/396247560.db2.gz FOOZQVCJSMLIJZ-CYBMUJFWSA-N 0 0 309.414 0.923 10 0 DCAERN Cc1cc2c(cc1F)ncn(C[C@H](O)CN1CCOCC1)c2=O ZINC000182318286 396249367 /nfs/dbraw/zinc/24/93/67/396249367.db2.gz NGBVXEGNXMEMFP-GFCCVEGCSA-N 0 0 321.352 0.537 10 0 DCAERN CCCCN(CCCO)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000182318944 396249686 /nfs/dbraw/zinc/24/96/86/396249686.db2.gz NLPIOSWNVHHLBO-UHFFFAOYSA-N 0 0 321.381 0.141 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CC(=O)NCC2(C)C)s1 ZINC000282025005 396256512 /nfs/dbraw/zinc/25/65/12/396256512.db2.gz NVUPDUHGESIBDZ-UHFFFAOYSA-N 0 0 303.409 0.659 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCCCn1ccnn1)C(C)C ZINC000182935238 396256798 /nfs/dbraw/zinc/25/67/98/396256798.db2.gz YUKKNGLYUSBXOH-AWEZNQCLSA-N 0 0 309.414 0.971 10 0 DCAERN COCCOc1cc(C(=O)NCCCn2ccnn2)ccn1 ZINC000182943846 396257451 /nfs/dbraw/zinc/25/74/51/396257451.db2.gz MXXVCMUHSSXFOV-UHFFFAOYSA-N 0 0 305.338 0.518 10 0 DCAERN O=C(CCNC(=O)Cc1ccccc1)NCCCn1ccnn1 ZINC000182994383 396258457 /nfs/dbraw/zinc/25/84/57/396258457.db2.gz UGAPGBQOIGDRGG-UHFFFAOYSA-N 0 0 315.377 0.533 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCCCn2ccnn2)c1 ZINC000183006545 396258477 /nfs/dbraw/zinc/25/84/77/396258477.db2.gz SSNMELFTQSOXEA-UHFFFAOYSA-N 0 0 314.392 0.563 10 0 DCAERN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C)n1 ZINC000282094500 396262603 /nfs/dbraw/zinc/26/26/03/396262603.db2.gz BSFWSQTXVYMSEV-GFCCVEGCSA-N 0 0 317.397 0.344 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)NCCCn1ccnn1 ZINC000183159144 396263269 /nfs/dbraw/zinc/26/32/69/396263269.db2.gz KYUNMVVUOBPRAI-UHFFFAOYSA-N 0 0 316.774 0.277 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282113680 396264464 /nfs/dbraw/zinc/26/44/64/396264464.db2.gz JCUZRVOFFYUUTR-DOMZBBRYSA-N 0 0 320.389 0.791 10 0 DCAERN CNC(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 ZINC000183226857 396264521 /nfs/dbraw/zinc/26/45/21/396264521.db2.gz OUNXBPGIXNVSOG-UHFFFAOYSA-N 0 0 302.338 0.850 10 0 DCAERN Cc1ccn2cc(CNC(=O)N3CCNC(=O)CC3)nc2c1 ZINC000264298171 396268546 /nfs/dbraw/zinc/26/85/46/396268546.db2.gz NKTVJMNYUWUHSP-UHFFFAOYSA-N 0 0 301.350 0.674 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H](C)c1nc[nH]n1 ZINC000183403893 396269187 /nfs/dbraw/zinc/26/91/87/396269187.db2.gz RSQOULYTIVMAPH-SSDOTTSWSA-N 0 0 301.310 0.586 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184070605 396283527 /nfs/dbraw/zinc/28/35/27/396283527.db2.gz WNLCLUHMELCNAX-VHSXEESVSA-N 0 0 308.359 0.732 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000079894032 396271818 /nfs/dbraw/zinc/27/18/18/396271818.db2.gz OSEZQIJISRLUEB-LBPRGKRZSA-N 0 0 317.267 0.854 10 0 DCAERN Cn1ccc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000183622527 396272687 /nfs/dbraw/zinc/27/26/87/396272687.db2.gz YHSKXQLQVBYEKB-ZDUSSCGKSA-N 0 0 300.366 0.538 10 0 DCAERN Cc1nc(CN(C)C[C@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715796 396273875 /nfs/dbraw/zinc/27/38/75/396273875.db2.gz STOXGHIGVXNCNI-LLVKDONJSA-N 0 0 302.400 0.481 10 0 DCAERN CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CCCOC3)cc2C1=O ZINC000264366264 396274848 /nfs/dbraw/zinc/27/48/48/396274848.db2.gz HUGLAVNHAVSEEC-VIFPVBQESA-N 0 0 324.358 0.370 10 0 DCAERN Nc1nc(N)nc(CN2CCCN(c3ccccn3)CC2)n1 ZINC000183831532 396276127 /nfs/dbraw/zinc/27/61/27/396276127.db2.gz HHYIALWBCSSSGO-UHFFFAOYSA-N 0 0 300.370 0.143 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000183905516 396277388 /nfs/dbraw/zinc/27/73/88/396277388.db2.gz WFIQXRSMQZWYFB-AWEZNQCLSA-N 0 0 317.455 0.416 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000183988317 396280249 /nfs/dbraw/zinc/28/02/49/396280249.db2.gz DPFRXLCVVGFUFM-PRHODGIISA-N 0 0 307.325 0.991 10 0 DCAERN Cn1cc(OC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000179023532 396219064 /nfs/dbraw/zinc/21/90/64/396219064.db2.gz MACDZWFILNNMSJ-OCCSQVGLSA-N 0 0 300.318 0.940 10 0 DCAERN CC(C)[C@H](NC[C@H](O)CN1CCOCC1)c1nc(C2CC2)no1 ZINC000179813711 396229855 /nfs/dbraw/zinc/22/98/55/396229855.db2.gz DUUIIVDFJPSUFR-KBPBESRZSA-N 0 0 324.425 0.927 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCC([C@H](C)O)CC2)n(C)n1 ZINC000077763366 396231743 /nfs/dbraw/zinc/23/17/43/396231743.db2.gz LONKQKDVCUGXST-JTQLQIEISA-N 0 0 308.382 0.540 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000077788239 396232559 /nfs/dbraw/zinc/23/25/59/396232559.db2.gz JRAJFESULGVBLD-MNOVXSKESA-N 0 0 311.357 0.872 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000184938642 396311658 /nfs/dbraw/zinc/31/16/58/396311658.db2.gz MSXYXYWYGYAKOP-CABCVRRESA-N 0 0 323.441 0.617 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)NCCCn2ccnn2)c1C ZINC000184998484 396313258 /nfs/dbraw/zinc/31/32/58/396313258.db2.gz ABFLZBRTKMJNKR-UHFFFAOYSA-N 0 0 305.338 0.830 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000184998280 396313660 /nfs/dbraw/zinc/31/36/60/396313660.db2.gz CVNSPMRGZZRTKT-KBPBESRZSA-N 0 0 319.471 0.758 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000185033929 396315442 /nfs/dbraw/zinc/31/54/42/396315442.db2.gz TWUUDYLLCZRLRH-KBPBESRZSA-N 0 0 321.421 0.572 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCCCn1ccnn1 ZINC000185077942 396316828 /nfs/dbraw/zinc/31/68/28/396316828.db2.gz AZGDGCALQXSHLV-GFCCVEGCSA-N 0 0 310.402 0.662 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083750184 396317501 /nfs/dbraw/zinc/31/75/01/396317501.db2.gz FEODECBDHRNQQM-MFKMUULPSA-N 0 0 313.427 0.835 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)NC(N)=O)c(-c2ccccc2)o1 ZINC000185140242 396319278 /nfs/dbraw/zinc/31/92/78/396319278.db2.gz RWTOUGSKGUKFDJ-UHFFFAOYSA-N 0 0 316.317 0.965 10 0 DCAERN COc1cc(N2CCN(CC(=O)NC(C)(C)C)CC2)ncn1 ZINC000184081885 396284760 /nfs/dbraw/zinc/28/47/60/396284760.db2.gz ZMTHDXFAPKPYEM-UHFFFAOYSA-N 0 0 307.398 0.522 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000080726917 396284927 /nfs/dbraw/zinc/28/49/27/396284927.db2.gz YNOIJIFTVRNJRQ-VHSXEESVSA-N 0 0 300.384 0.178 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCn2cnnc2C1 ZINC000264497519 396285356 /nfs/dbraw/zinc/28/53/56/396285356.db2.gz XKIUHVRDAFEBTI-GHMZBOCLSA-N 0 0 323.422 0.568 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000282385564 396286551 /nfs/dbraw/zinc/28/65/51/396286551.db2.gz NYOZIMFHUREBBD-CYBMUJFWSA-N 0 0 317.389 0.826 10 0 DCAERN CC(C)c1ccc(CCNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185144929 396319556 /nfs/dbraw/zinc/31/95/56/396319556.db2.gz LVGGXBPPYGETRA-IAGOWNOFSA-N 0 0 320.433 0.896 10 0 DCAERN CCOc1ccccc1N1C[C@H](C(=O)N2CC(CO)C2)CC1=O ZINC000184213928 396288336 /nfs/dbraw/zinc/28/83/36/396288336.db2.gz QVYRECORDIPHOV-CYBMUJFWSA-N 0 0 318.373 0.889 10 0 DCAERN Cc1ccc(CS(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1F ZINC000184235276 396288702 /nfs/dbraw/zinc/28/87/02/396288702.db2.gz GNEKFKAZOKPWOT-GFCCVEGCSA-N 0 0 316.354 0.150 10 0 DCAERN CCc1cc(N2CC(=O)N(C)C(=O)C2)nc(-c2ccccn2)n1 ZINC000184291256 396289493 /nfs/dbraw/zinc/28/94/93/396289493.db2.gz WVRYXZDSVQLBIL-UHFFFAOYSA-N 0 0 311.345 0.906 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276929 396289521 /nfs/dbraw/zinc/28/95/21/396289521.db2.gz XKHAYYNEIYZYLX-CQSZACIVSA-N 0 0 311.426 0.601 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363439 396291939 /nfs/dbraw/zinc/29/19/39/396291939.db2.gz BCSZWPXZXHXCNO-HNNXBMFYSA-N 0 0 308.426 0.970 10 0 DCAERN COC(=O)CCCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000184344986 396292278 /nfs/dbraw/zinc/29/22/78/396292278.db2.gz FQVSRBOWBIDIKG-LBPRGKRZSA-N 0 0 306.366 0.905 10 0 DCAERN Cc1ccc(S(=O)(=O)CCCN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185187653 396321145 /nfs/dbraw/zinc/32/11/45/396321145.db2.gz VODRVXSSBGVUNI-KGLIPLIRSA-N 0 0 313.419 0.586 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000184505633 396297306 /nfs/dbraw/zinc/29/73/06/396297306.db2.gz RRBQUAFMGODQCE-CYBMUJFWSA-N 0 0 306.366 0.620 10 0 DCAERN CC(C)Cc1nnc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185173159 396320108 /nfs/dbraw/zinc/32/01/08/396320108.db2.gz RDPUABCZCDVPEM-NXEZZACHSA-N 0 0 314.411 0.103 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCN3CCOC(C)(C)C3)cc21 ZINC000185163084 396320170 /nfs/dbraw/zinc/32/01/70/396320170.db2.gz RFNFNSHWMNZBGM-UHFFFAOYSA-N 0 0 317.393 0.809 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000184657938 396301771 /nfs/dbraw/zinc/30/17/71/396301771.db2.gz UEZGQVILJIVCNE-ZDUSSCGKSA-N 0 0 311.426 0.864 10 0 DCAERN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1CCCOC1 ZINC000184713421 396302434 /nfs/dbraw/zinc/30/24/34/396302434.db2.gz WEZYCQGNQUCXBM-ZYHUDNBSSA-N 0 0 310.375 0.993 10 0 DCAERN COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@H](O)C[C@@H]1CO ZINC000184734965 396303330 /nfs/dbraw/zinc/30/33/30/396303330.db2.gz AFARDZKXYYYARV-YNEHKIRRSA-N 0 0 308.378 0.758 10 0 DCAERN COCCn1c(C)cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c1C ZINC000184729598 396303888 /nfs/dbraw/zinc/30/38/88/396303888.db2.gz ZRGQJGIZYISZQN-ZIAGYGMSSA-N 0 0 310.394 0.362 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOCC2CC2)CC1 ZINC000184749103 396304669 /nfs/dbraw/zinc/30/46/69/396304669.db2.gz KHMJYNTZCXZNKW-OAHLLOKOSA-N 0 0 313.442 0.901 10 0 DCAERN O=C(N1CCN(C[C@@H](O)c2ccccc2)CC1)C1(O)CCC1 ZINC000184756480 396305172 /nfs/dbraw/zinc/30/51/72/396305172.db2.gz COKJAVQOQAJCFU-OAHLLOKOSA-N 0 0 304.390 0.779 10 0 DCAERN C[C@@H](NCc1nc(N)nc(N)n1)c1cn(-c2ccccc2)nn1 ZINC000185463890 396327953 /nfs/dbraw/zinc/32/79/53/396327953.db2.gz UTKGNKHFSNYSAR-SECBINFHSA-N 0 0 311.353 0.468 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185203478 396321888 /nfs/dbraw/zinc/32/18/88/396321888.db2.gz ZWVFOFAFMJWLSN-VXGBXAGGSA-N 0 0 307.398 0.479 10 0 DCAERN CN(C)c1noc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239227 396322428 /nfs/dbraw/zinc/32/24/28/396322428.db2.gz JUYWIUKXKNYCAJ-GFCCVEGCSA-N 0 0 323.397 0.206 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)C1 ZINC000185275874 396324007 /nfs/dbraw/zinc/32/40/07/396324007.db2.gz HKQMXQBBQFKNHE-BMIGLBTASA-N 0 0 304.346 0.525 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000185290803 396324544 /nfs/dbraw/zinc/32/45/44/396324544.db2.gz YVBZSMXPUMPEKQ-LBPRGKRZSA-N 0 0 318.373 0.916 10 0 DCAERN COC(=O)c1cn(C2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)nn1 ZINC000185607225 396331351 /nfs/dbraw/zinc/33/13/51/396331351.db2.gz WFIGKVMHFRVMHP-ONGXEEELSA-N 0 0 307.354 0.820 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1OC(F)F ZINC000185633111 396331883 /nfs/dbraw/zinc/33/18/83/396331883.db2.gz VALCJAYYVYRDKZ-HTQZYQBOSA-N 0 0 316.308 0.795 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185451264 396328461 /nfs/dbraw/zinc/32/84/61/396328461.db2.gz UDABKMQNWFXEMW-YUMQZZPRSA-N 0 0 316.308 0.748 10 0 DCAERN CCCc1cc(N2CC(NC(=O)COC)C2)n2ncnc2n1 ZINC000185917698 396337051 /nfs/dbraw/zinc/33/70/51/396337051.db2.gz IOTCLZQVWPKYHN-UHFFFAOYSA-N 0 0 304.354 0.028 10 0 DCAERN C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000185768325 396334468 /nfs/dbraw/zinc/33/44/68/396334468.db2.gz UDFRUAYDZNFILZ-UGZDLDLSSA-N 0 0 318.420 0.173 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2cc(C)ccc2F)C1 ZINC000284463852 396345740 /nfs/dbraw/zinc/34/57/40/396345740.db2.gz AKVONCSBOPFHAX-JQWIXIFHSA-N 0 0 310.325 0.614 10 0 DCAERN O=C(N1CCN(c2cccs2)C(=O)C1)[C@]1(O)CCSC1 ZINC000186242802 396346364 /nfs/dbraw/zinc/34/63/64/396346364.db2.gz HRMXURPOPOKWRN-ZDUSSCGKSA-N 0 0 312.416 0.791 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000186314903 396347529 /nfs/dbraw/zinc/34/75/29/396347529.db2.gz AAHRDQDROYGHKA-UHFFFAOYSA-N 0 0 305.309 0.894 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000265753859 396341462 /nfs/dbraw/zinc/34/14/62/396341462.db2.gz PTGRFTRJKKGGES-RYUDHWBXSA-N 0 0 315.381 0.905 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565664 396352809 /nfs/dbraw/zinc/35/28/09/396352809.db2.gz GURXGARRYZUZIP-DOTOQJQBSA-N 0 0 321.421 0.914 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778540 396353166 /nfs/dbraw/zinc/35/31/66/396353166.db2.gz MWPGMSYUFMZNMS-CHWSQXEVSA-N 0 0 319.365 0.117 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000285791991 396354462 /nfs/dbraw/zinc/35/44/62/396354462.db2.gz FLDWPOUPVAZPJP-CABCVRRESA-N 0 0 320.393 0.512 10 0 DCAERN Nc1nccnc1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187668751 396372309 /nfs/dbraw/zinc/37/23/09/396372309.db2.gz HPZCEJBLFNIAAI-QWRGUYRKSA-N 0 0 304.375 0.968 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C12CCOCC2 ZINC000186462119 396350412 /nfs/dbraw/zinc/35/04/12/396350412.db2.gz LERMXCSVJCOVBU-NWDGAFQWSA-N 0 0 308.382 0.828 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000285717065 396352323 /nfs/dbraw/zinc/35/23/23/396352323.db2.gz XSIUIWLJDWGSND-MLGOLLRUSA-N 0 0 304.346 0.392 10 0 DCAERN O=C(NC1CN(C(=O)[C@@H]2CSCCS2)C1)C1CCC1 ZINC000188522933 396383073 /nfs/dbraw/zinc/38/30/73/396383073.db2.gz AOGCEBDQBJCSKS-NSHDSACASA-N 0 0 300.449 0.962 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188682457 396384870 /nfs/dbraw/zinc/38/48/70/396384870.db2.gz UVFWOAZPJHYXDW-MJBXVCDLSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCN1CCO ZINC000188795951 396386204 /nfs/dbraw/zinc/38/62/04/396386204.db2.gz OZPWNMZQWXQUOM-KBPBESRZSA-N 0 0 300.399 0.097 10 0 DCAERN COc1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1OC ZINC000188809909 396387084 /nfs/dbraw/zinc/38/70/84/396387084.db2.gz ZTSWOIAWVPNIMH-GFCCVEGCSA-N 0 0 308.378 0.842 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000286327758 396388586 /nfs/dbraw/zinc/38/85/86/396388586.db2.gz ODHFYHOCTKMNCC-NEPJUHHUSA-N 0 0 317.345 0.582 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000188937433 396388650 /nfs/dbraw/zinc/38/86/50/396388650.db2.gz HSHVPPPWRBXNOT-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3c[nH]c(=S)[nH]3)CCO2)c1 ZINC000193085500 396443578 /nfs/dbraw/zinc/44/35/78/396443578.db2.gz TVYONQIOCPAZKO-SNVBAGLBSA-N 0 0 307.379 0.745 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)N(C)C(C)C)C1 ZINC000189185834 396392338 /nfs/dbraw/zinc/39/23/38/396392338.db2.gz QBKKUGZYQSYWPN-WDEREUQCSA-N 0 0 318.399 0.725 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000189293847 396392974 /nfs/dbraw/zinc/39/29/74/396392974.db2.gz ZVUOJPGLMUNYNM-OLZOCXBDSA-N 0 0 318.373 0.592 10 0 DCAERN C[C@H](CN1CCN(CC(C)(C)O)C[C@@H]1C)CS(C)(=O)=O ZINC000189415742 396395288 /nfs/dbraw/zinc/39/52/88/396395288.db2.gz QKWRSALQOUSORW-OLZOCXBDSA-N 0 0 306.472 0.444 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189708058 396397532 /nfs/dbraw/zinc/39/75/32/396397532.db2.gz DVCOETLNJRTMIH-JTQLQIEISA-N 0 0 320.397 0.253 10 0 DCAERN CN1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)CC1=O ZINC000189774474 396399013 /nfs/dbraw/zinc/39/90/13/396399013.db2.gz DKTHDDAFTAWBTQ-UHFFFAOYSA-N 0 0 318.333 0.953 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000189968723 396400837 /nfs/dbraw/zinc/40/08/37/396400837.db2.gz ZPVDCYGTLSJFAV-NXEZZACHSA-N 0 0 316.345 0.674 10 0 DCAERN O=C([C@H]1CSC(=O)N1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189994931 396401624 /nfs/dbraw/zinc/40/16/24/396401624.db2.gz PVAGSAVOJPEPLO-LLVKDONJSA-N 0 0 321.406 0.761 10 0 DCAERN COc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000190102359 396402251 /nfs/dbraw/zinc/40/22/51/396402251.db2.gz WSCKSJDJSUJPLT-UHFFFAOYSA-N 0 0 304.350 0.510 10 0 DCAERN COCCN1CCCN(C(=O)NCc2cnn(C)c2C)CC1=O ZINC000190056707 396402312 /nfs/dbraw/zinc/40/23/12/396402312.db2.gz HRHVKQWTYXTCPA-UHFFFAOYSA-N 0 0 323.397 0.119 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000190080216 396402365 /nfs/dbraw/zinc/40/23/65/396402365.db2.gz FWEVHYWEYIVRAS-WCQYABFASA-N 0 0 312.391 0.481 10 0 DCAERN O=C(NCC1(CCO)CC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000190313395 396404996 /nfs/dbraw/zinc/40/49/96/396404996.db2.gz ALCVLUOSPRWNMJ-ZDUSSCGKSA-N 0 0 319.409 0.907 10 0 DCAERN CCN1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1=O ZINC000190556594 396407694 /nfs/dbraw/zinc/40/76/94/396407694.db2.gz GLDDORPOZCJQJJ-UHFFFAOYSA-N 0 0 320.740 0.578 10 0 DCAERN CC[C@H](CO)N1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190606429 396408670 /nfs/dbraw/zinc/40/86/70/396408670.db2.gz ZLFIXVRNWALDRL-OAHLLOKOSA-N 0 0 320.499 0.980 10 0 DCAERN CCc1nc(C2CCN([C@@H](C)C(=O)NC(=O)NC)CC2)n[nH]1 ZINC000190670920 396409451 /nfs/dbraw/zinc/40/94/51/396409451.db2.gz AXKDMUJQPDKYKF-VIFPVBQESA-N 0 0 308.386 0.391 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)CC2 ZINC000190710077 396410297 /nfs/dbraw/zinc/41/02/97/396410297.db2.gz WCEKVRCTPXNAHT-UTUOFQBUSA-N 0 0 307.398 0.616 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)CC)CC2 ZINC000190711517 396410589 /nfs/dbraw/zinc/41/05/89/396410589.db2.gz JOXWPTFIAIVUIY-QWRGUYRKSA-N 0 0 322.413 0.321 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000190774074 396411326 /nfs/dbraw/zinc/41/13/26/396411326.db2.gz LHHDWYMMQHZUQF-SECBINFHSA-N 0 0 307.375 0.939 10 0 DCAERN CCn1cc([C@H]2CN([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820337 396411543 /nfs/dbraw/zinc/41/15/43/396411543.db2.gz QUVKJTLENPMUMG-GOEBONIOSA-N 0 0 308.426 0.997 10 0 DCAERN CCn1cc([C@H]2CN(C[C@@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000190816405 396411639 /nfs/dbraw/zinc/41/16/39/396411639.db2.gz NISLOVBEHHUKMQ-TZMCWYRMSA-N 0 0 315.439 0.957 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000269420530 396413114 /nfs/dbraw/zinc/41/31/14/396413114.db2.gz HHYRPOMPVWEVJM-GXFFZTMASA-N 0 0 318.329 0.578 10 0 DCAERN Cn1ncnc1S(=O)(=O)Cc1cnn(C)c1C(F)(F)F ZINC000191074069 396415142 /nfs/dbraw/zinc/41/51/42/396415142.db2.gz HKIDLJZVKPLSJY-UHFFFAOYSA-N 0 0 309.273 0.541 10 0 DCAERN CN1CCCN(CC(=O)NCCOc2cccc(F)c2)CC1=O ZINC000191079746 396415185 /nfs/dbraw/zinc/41/51/85/396415185.db2.gz BNYPCYPWMTYOAE-UHFFFAOYSA-N 0 0 323.368 0.485 10 0 DCAERN CN1CCCN(CCC(=O)Nc2sccc2C(N)=O)CC1=O ZINC000191107264 396416180 /nfs/dbraw/zinc/41/61/80/396416180.db2.gz ZDDVDAGYKJQQPF-UHFFFAOYSA-N 0 0 324.406 0.340 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NC1CCOCC1 ZINC000191201623 396416688 /nfs/dbraw/zinc/41/66/88/396416688.db2.gz YJHWSQAXUZAOQK-ZLDLUXBVSA-N 0 0 310.394 0.555 10 0 DCAERN CCc1ccnc(C(=O)N2CCCN(CCOC)C(=O)C2)c1 ZINC000191238767 396417591 /nfs/dbraw/zinc/41/75/91/396417591.db2.gz NKTHEFAFJUGQGI-UHFFFAOYSA-N 0 0 305.378 0.965 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000191403008 396419045 /nfs/dbraw/zinc/41/90/45/396419045.db2.gz SDVDWNRSJDFYOO-SBKAZYGRSA-N 0 0 303.428 0.454 10 0 DCAERN Cc1cnn(C[C@H]2CN(CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486658 396420275 /nfs/dbraw/zinc/42/02/75/396420275.db2.gz XHTOEYKDQHNUBR-HZPDHXFCSA-N 0 0 308.426 0.613 10 0 DCAERN CC(C)Cn1ccnc1CNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000192027600 396428771 /nfs/dbraw/zinc/42/87/71/396428771.db2.gz SSIGTZQGLPASCD-LLVKDONJSA-N 0 0 316.427 0.435 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000192055625 396429373 /nfs/dbraw/zinc/42/93/73/396429373.db2.gz QJHXMUTXXHKPIM-CABCVRRESA-N 0 0 318.373 0.734 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CCc3ccncn3)C2)cn1 ZINC000192365123 396430755 /nfs/dbraw/zinc/43/07/55/396430755.db2.gz OKADDFDAUAODPP-CQSZACIVSA-N 0 0 314.393 0.928 10 0 DCAERN CN(C)c1noc(C2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000192360219 396430855 /nfs/dbraw/zinc/43/08/55/396430855.db2.gz XEIAANQXNWASMN-UHFFFAOYSA-N 0 0 304.354 0.613 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCC(=O)NC2CC2)n1 ZINC000192527617 396432604 /nfs/dbraw/zinc/43/26/04/396432604.db2.gz CUCFRBFQURMQCG-UHFFFAOYSA-N 0 0 310.379 0.600 10 0 DCAERN CC1=C(C(=O)NCC2(C)OCCCO2)[C@@H](C)n2ncnc2N1C ZINC000192675699 396434832 /nfs/dbraw/zinc/43/48/32/396434832.db2.gz SHPUUPSUWOOYLO-LLVKDONJSA-N 0 0 321.381 0.832 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)CCCN2C ZINC000193213507 396446494 /nfs/dbraw/zinc/44/64/94/396446494.db2.gz AZJSCDKUOSJMEY-GDBMZVCRSA-N 0 0 317.389 0.989 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000188064998 396378670 /nfs/dbraw/zinc/37/86/70/396378670.db2.gz SQIVWSPWFBWOPM-LLVKDONJSA-N 0 0 303.362 0.739 10 0 DCAERN CN(Cc1ncnn1CC(F)F)C(=O)c1cccc2ncnn21 ZINC000580750507 396496369 /nfs/dbraw/zinc/49/63/69/396496369.db2.gz WCBSMXVSRIUEJF-UHFFFAOYSA-N 0 0 321.291 0.858 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000580919918 396511340 /nfs/dbraw/zinc/51/13/40/396511340.db2.gz ZUQUVZDNWAHYEZ-SNVBAGLBSA-N 0 0 309.366 0.808 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)c1ccoc1C(F)(F)F ZINC000290704733 396470647 /nfs/dbraw/zinc/47/06/47/396470647.db2.gz LWKRGOJGRNTKEO-UHFFFAOYSA-N 0 0 305.256 0.460 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371828403 396477867 /nfs/dbraw/zinc/47/78/67/396477867.db2.gz IEJMSVNNQBZLFL-HNNXBMFYSA-N 0 0 317.389 0.731 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1=O ZINC000371861861 396479164 /nfs/dbraw/zinc/47/91/64/396479164.db2.gz YGFUIAHJPDCYSC-NDBYEHHHSA-N 0 0 322.409 0.304 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@H]2C(C)(C)O)CC1=O ZINC000371945823 396480658 /nfs/dbraw/zinc/48/06/58/396480658.db2.gz BKCCVYVTCDQWLL-VOAKCMCISA-N 0 0 309.410 0.941 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000372077095 396486746 /nfs/dbraw/zinc/48/67/46/396486746.db2.gz OOGZHMCMGKTVPK-OAHLLOKOSA-N 0 0 301.346 0.290 10 0 DCAERN Cc1ccc2ncc(C(=O)N3C[C@@H](F)C[C@H]3CO)c(=O)n2c1 ZINC000372503341 396522644 /nfs/dbraw/zinc/52/26/44/396522644.db2.gz JGTWTUCEPCSQQW-QWRGUYRKSA-N 0 0 305.309 0.548 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1c1cccn1C ZINC000373329975 396584511 /nfs/dbraw/zinc/58/45/11/396584511.db2.gz AVMCUFUOCISWPO-HUUCEWRRSA-N 0 0 305.378 0.936 10 0 DCAERN CN(C)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000372823938 396547969 /nfs/dbraw/zinc/54/79/69/396547969.db2.gz VKNPDLUZKDRLHJ-GFCCVEGCSA-N 0 0 305.382 0.696 10 0 DCAERN CC(=O)N1CCCc2cc(S(=O)(=O)NCC3COC3)ccc21 ZINC000528563657 396559151 /nfs/dbraw/zinc/55/91/51/396559151.db2.gz JORMZXPEQODDGC-UHFFFAOYSA-N 0 0 324.402 0.910 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC000373180768 396572177 /nfs/dbraw/zinc/57/21/77/396572177.db2.gz WKIMGLYXMDOTRX-JHJVBQTASA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000531013533 396587097 /nfs/dbraw/zinc/58/70/97/396587097.db2.gz BBQIVOZZYQJOKQ-HFBDOXOYSA-N 0 0 308.382 0.662 10 0 DCAERN CN1CC[C@H](NC(=O)NCC[C@H]2COc3ccccc3O2)C1=O ZINC000581859004 396587379 /nfs/dbraw/zinc/58/73/79/396587379.db2.gz VBLDUVFQVXXIQH-RYUDHWBXSA-N 0 0 319.361 0.746 10 0 DCAERN CCOC(=O)C1=CN=C2C=NC(Br)=CN2[C@@H]1O ZINC000585656154 396648471 /nfs/dbraw/zinc/64/84/71/396648471.db2.gz JSWLDHCDHSZNLW-SECBINFHSA-N 0 0 300.112 0.744 10 0 DCAERN COC[C@@](C)(O)CNC(=O)c1cnc2cc(OC)ccc2c1O ZINC000531119355 396589542 /nfs/dbraw/zinc/58/95/42/396589542.db2.gz FIIITARPUMGVFR-INIZCTEOSA-N 0 0 320.345 0.664 10 0 DCAERN COC[C@](C)(O)CNC(=O)c1cnc2cc(OC)ccc2c1O ZINC000531119356 396589614 /nfs/dbraw/zinc/58/96/14/396589614.db2.gz FIIITARPUMGVFR-MRXNPFEDSA-N 0 0 320.345 0.664 10 0 DCAERN CN(CC(=O)N1CCc2ccccc2C1)Cc1nnnn1C ZINC000531562509 396598353 /nfs/dbraw/zinc/59/83/53/396598353.db2.gz RWIGUKVOKPXAHQ-UHFFFAOYSA-N 0 0 300.366 0.227 10 0 DCAERN C[C@@H](O)c1cn(CC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)nn1 ZINC000373630463 396604309 /nfs/dbraw/zinc/60/43/09/396604309.db2.gz SOFWRXWORXBXSU-IAQYHMDHSA-N 0 0 324.381 0.128 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NC[C@H](C)S(C)(=O)=O)[nH]n1 ZINC000533587675 396607953 /nfs/dbraw/zinc/60/79/53/396607953.db2.gz BCTVYKGSKYOXCN-WPRPVWTQSA-N 0 0 302.400 0.381 10 0 DCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000373711123 396608730 /nfs/dbraw/zinc/60/87/30/396608730.db2.gz AKNIYZJXQPKANI-RTXFEEFZSA-N 0 0 312.435 0.965 10 0 DCAERN CCc1noc(CC)c1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000373710208 396608736 /nfs/dbraw/zinc/60/87/36/396608736.db2.gz DGHIYCPMZJDYJC-ZWNOBZJWSA-N 0 0 309.366 0.397 10 0 DCAERN CCN1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000374054957 396636231 /nfs/dbraw/zinc/63/62/31/396636231.db2.gz QZFMXHSSCZBJRP-AWEZNQCLSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374132132 396641246 /nfs/dbraw/zinc/64/12/46/396641246.db2.gz LIBCPESLRXPTIS-HPCHECBXSA-N 0 0 310.394 0.696 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC[C@@H]1CCCOC1 ZINC000586594541 396661418 /nfs/dbraw/zinc/66/14/18/396661418.db2.gz IOLHDVQZQIHHOE-LBPRGKRZSA-N 0 0 319.427 0.138 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCCc1ccco1 ZINC000586605058 396661692 /nfs/dbraw/zinc/66/16/92/396661692.db2.gz LDCPZSPETMRWKE-UHFFFAOYSA-N 0 0 315.395 0.547 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccco1 ZINC000585821059 396661696 /nfs/dbraw/zinc/66/16/96/396661696.db2.gz USWORRPNKGJGFH-UHFFFAOYSA-N 0 0 301.368 0.504 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000374409313 396661844 /nfs/dbraw/zinc/66/18/44/396661844.db2.gz NAIAOEFWKWNRNQ-NHYWBVRUSA-N 0 0 315.373 0.653 10 0 DCAERN COC(=O)[C@H](CC(C)C)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762482 396663131 /nfs/dbraw/zinc/66/31/31/396663131.db2.gz ZUOSCVSLZKVWOD-NEPJUHHUSA-N 0 0 306.428 0.588 10 0 DCAERN CCNC(=O)[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)C(C)C ZINC000294275099 396665556 /nfs/dbraw/zinc/66/55/56/396665556.db2.gz IONSDYHBTNJVPE-ZDUSSCGKSA-N 0 0 316.365 0.553 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]cn1 ZINC000374734365 396683380 /nfs/dbraw/zinc/68/33/80/396683380.db2.gz IOCUVQSEDQOUAX-PWSUYJOCSA-N 0 0 315.395 0.256 10 0 DCAERN CSCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000588327970 396684363 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396752518 /nfs/dbraw/zinc/75/25/18/396752518.db2.gz HEFYLQKZFJYZLK-GHMZBOCLSA-N 0 0 317.349 0.079 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCc2nncn2C1 ZINC000590337818 396760682 /nfs/dbraw/zinc/76/06/82/396760682.db2.gz PJBHEDVONNCYCJ-CZXHOFHRSA-N 0 0 318.377 0.641 10 0 DCAERN O=C(CN1CCO[C@@H](c2cccc(O)c2)C1)NC(=O)NC1CC1 ZINC000610826350 396769168 /nfs/dbraw/zinc/76/91/68/396769168.db2.gz MOVSVONKJFPGAD-CQSZACIVSA-N 0 0 319.361 0.754 10 0 DCAERN CCOC(=O)c1csc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000596432970 396774666 /nfs/dbraw/zinc/77/46/66/396774666.db2.gz MJTCQFRQQBDSRL-RKDXNWHRSA-N 0 0 320.392 0.544 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137878 396822133 /nfs/dbraw/zinc/82/21/33/396822133.db2.gz CWHHQLFGFXRLGE-ZIAGYGMSSA-N 0 0 321.352 0.922 10 0 DCAERN NC(=O)c1noc([C@@H]2CCCN2c2ncnc3n[nH]cc32)n1 ZINC000328625416 396824413 /nfs/dbraw/zinc/82/44/13/396824413.db2.gz KRXRJOPHELBFMN-ZETCQYMHSA-N 0 0 300.282 0.176 10 0 DCAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@H]2CCOC2=O)no1 ZINC000328629434 396827144 /nfs/dbraw/zinc/82/71/44/396827144.db2.gz IFIDXYPNAMTUEP-SRVKXCTJSA-N 0 0 312.345 0.538 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)N2CCN(C)CC2)[nH]1 ZINC000328705606 396831537 /nfs/dbraw/zinc/83/15/37/396831537.db2.gz YTQDTNBCYGLELK-JSGCOSHPSA-N 0 0 320.441 0.803 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611188643 396832400 /nfs/dbraw/zinc/83/24/00/396832400.db2.gz FVFZAHTWARCAEE-ZDUSSCGKSA-N 0 0 321.377 0.972 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3nc[nH]c3cc2F)CCS1(=O)=O ZINC000329215097 396841645 /nfs/dbraw/zinc/84/16/45/396841645.db2.gz MDVFICCYGSWBMX-QMMMGPOBSA-N 0 0 311.338 0.961 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000564574774 396843249 /nfs/dbraw/zinc/84/32/49/396843249.db2.gz JLRQBGBWCMHDCH-KKOKHZNYSA-N 0 0 301.387 0.345 10 0 DCAERN CO[C@H]1C[C@@H](CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)C1 ZINC000629819280 396849964 /nfs/dbraw/zinc/84/99/64/396849964.db2.gz JIBKQFFCKKDXPT-DTORHVGOSA-N 0 0 302.352 0.390 10 0 DCAERN O=C(CCn1ccnn1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000600582985 396893069 /nfs/dbraw/zinc/89/30/69/396893069.db2.gz FLNYCYFVXHHZOZ-CYBMUJFWSA-N 0 0 305.382 0.529 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000332861112 396898715 /nfs/dbraw/zinc/89/87/15/396898715.db2.gz DCYUUQXONOZYEI-ZJQBRPOHSA-N 0 0 308.382 0.662 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000625509109 396902368 /nfs/dbraw/zinc/90/23/68/396902368.db2.gz ICZZWKJXZCYFEG-DPYKFYPSSA-N 0 0 321.421 0.618 10 0 DCAERN CC(C)CCS(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000591391406 396914618 /nfs/dbraw/zinc/91/46/18/396914618.db2.gz YRUIUUUPEHMKMS-UHFFFAOYSA-N 0 0 312.457 0.378 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000333425463 396924922 /nfs/dbraw/zinc/92/49/22/396924922.db2.gz TXQSIGFJOBGYBH-RAIGVLPGSA-N 0 0 316.423 0.773 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O ZINC000625593492 396940311 /nfs/dbraw/zinc/94/03/11/396940311.db2.gz BFBUYANPJOVDDJ-UWVGGRQHSA-N 0 0 321.782 0.777 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000625598947 396944011 /nfs/dbraw/zinc/94/40/11/396944011.db2.gz VIHGYWCUWSMZDD-ZJUUUORDSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)C1(O)CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000611929788 396950475 /nfs/dbraw/zinc/95/04/75/396950475.db2.gz VENWVSDYVDSQPT-UHFFFAOYSA-N 0 0 308.382 0.583 10 0 DCAERN Cc1cc(CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)no1 ZINC000618679074 397011755 /nfs/dbraw/zinc/01/17/55/397011755.db2.gz WLCHYZBWPDUYHK-SECBINFHSA-N 0 0 301.368 0.018 10 0 DCAERN O=C(c1cc(N2CCCC2)ccn1)N1CCN2CCOC[C@@H]2C1 ZINC000377053683 397022807 /nfs/dbraw/zinc/02/28/07/397022807.db2.gz URQXFGSIPXGRRE-HNNXBMFYSA-N 0 0 316.405 0.838 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCOCC2CCC2)C1 ZINC000572694834 397085419 /nfs/dbraw/zinc/08/54/19/397085419.db2.gz CMBGINAQCHMZCX-ZDUSSCGKSA-N 0 0 312.414 0.906 10 0 DCAERN CCOC(=O)CCN(CC1CC1)C(=O)CN1CCOCC1=O ZINC000619216645 397098811 /nfs/dbraw/zinc/09/88/11/397098811.db2.gz QFHWBMDKCHVXBB-UHFFFAOYSA-N 0 0 312.366 0.037 10 0 DCAERN CCOC(=O)c1csc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000591930654 397042189 /nfs/dbraw/zinc/04/21/89/397042189.db2.gz DMDVARFRGIMNBV-QMMMGPOBSA-N 0 0 304.393 0.943 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000630572111 397049688 /nfs/dbraw/zinc/04/96/88/397049688.db2.gz ZXJUGNFSKBHGRA-HUUCEWRRSA-N 0 0 319.405 0.911 10 0 DCAERN O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCO[C@@H](CO)C1 ZINC000612626954 397107440 /nfs/dbraw/zinc/10/74/40/397107440.db2.gz QNMUMOVVYBHJTG-RBSFLKMASA-N 0 0 307.346 0.363 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC=C(F)C1 ZINC000626349949 397142455 /nfs/dbraw/zinc/14/24/55/397142455.db2.gz BMRRHMMVUPZHGW-UHFFFAOYSA-N 0 0 313.373 0.882 10 0 DCAERN Cc1cnn(CCN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000592418900 397171073 /nfs/dbraw/zinc/17/10/73/397171073.db2.gz FAKYOBWOFKMLJK-CQSZACIVSA-N 0 0 305.426 0.476 10 0 DCAERN COC[C@@H]1CN(c2c(F)cccc2S(N)(=O)=O)CCO1 ZINC000631128947 397175155 /nfs/dbraw/zinc/17/51/55/397175155.db2.gz GUSOLKKCOFELON-VIFPVBQESA-N 0 0 304.343 0.325 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)n1C ZINC000597835896 397117757 /nfs/dbraw/zinc/11/77/57/397117757.db2.gz IKSCNJOVVSBLIN-ICCXJUOJSA-N 0 0 318.333 0.113 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000364356703 397189136 /nfs/dbraw/zinc/18/91/36/397189136.db2.gz DMNIUTWLQRUFPI-AWEZNQCLSA-N 0 0 308.353 0.920 10 0 DCAERN CCN1CC[C@@H](NC(=O)Nc2cc(C(=O)OC)ccn2)C1=O ZINC000619796262 397193858 /nfs/dbraw/zinc/19/38/58/397193858.db2.gz NPWWVHKNLZYTPI-SNVBAGLBSA-N 0 0 306.322 0.611 10 0 DCAERN COCc1cncc(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)c1 ZINC000613234971 397224349 /nfs/dbraw/zinc/22/43/49/397224349.db2.gz BSMDTPMQKQXSHU-AWEZNQCLSA-N 0 0 322.361 0.614 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCOCC(=O)OC(C)(C)C)C(C)C ZINC000601758340 397239857 /nfs/dbraw/zinc/23/98/57/397239857.db2.gz FLBZXWSTCCFYSK-ZDUSSCGKSA-N 0 0 316.398 0.622 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCOCC[C@H]1C ZINC000364766798 397245900 /nfs/dbraw/zinc/24/59/00/397245900.db2.gz BNKRDQINDYDYJP-LLVKDONJSA-N 0 0 307.350 0.270 10 0 DCAERN CS(=O)(=O)N1CC[C@H](Nc2ncncc2Br)C1 ZINC000400155142 397315337 /nfs/dbraw/zinc/31/53/37/397315337.db2.gz DHEZYZCODJWEKD-ZETCQYMHSA-N 0 0 321.200 0.685 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000613584766 397282812 /nfs/dbraw/zinc/28/28/12/397282812.db2.gz XDRBCNUFDAVLTK-LBPRGKRZSA-N 0 0 302.334 0.558 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)Cc2cnnn2C)C12CCOCC2 ZINC000613592157 397283484 /nfs/dbraw/zinc/28/34/84/397283484.db2.gz DSHVYBSYBPIBTO-CHWSQXEVSA-N 0 0 308.382 0.448 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)NCc3nnn(C)n3)nc2c1 ZINC000574622518 397283765 /nfs/dbraw/zinc/28/37/65/397283765.db2.gz ROFVOBTXRRQOFE-UHFFFAOYSA-N 0 0 300.326 0.394 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(CC(F)(F)F)C2=O)C[C@@H](CO)O1 ZINC000407951171 397333139 /nfs/dbraw/zinc/33/31/39/397333139.db2.gz OQXJVOXTVZTAOO-VWYCJHECSA-N 0 0 310.316 0.621 10 0 DCAERN O=C1CN(S(=O)(=O)c2cc(F)ccc2F)CCN1C1CC1 ZINC000407952995 397334947 /nfs/dbraw/zinc/33/49/47/397334947.db2.gz BFPOBDQPCWMPLO-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)O1 ZINC000407956492 397335869 /nfs/dbraw/zinc/33/58/69/397335869.db2.gz JERGWUMHFBNHDD-UWVGGRQHSA-N 0 0 305.400 0.016 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959694 397336886 /nfs/dbraw/zinc/33/68/86/397336886.db2.gz XCCFJZSVSXBSPN-CYBMUJFWSA-N 0 0 307.394 0.611 10 0 DCAERN O=C([C@@H]1CCCN1c1nccs1)N1CCN(C2CC2)C(=O)C1 ZINC000407958226 397337232 /nfs/dbraw/zinc/33/72/32/397337232.db2.gz QUYRUHKITBLBCU-LBPRGKRZSA-N 0 0 320.418 0.945 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)O1 ZINC000407967153 397340760 /nfs/dbraw/zinc/34/07/60/397340760.db2.gz PAUAULUQJOTMLQ-CKIKVBCHSA-N 0 0 318.439 0.777 10 0 DCAERN C[C@@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC(=O)N1C ZINC000407967375 397340880 /nfs/dbraw/zinc/34/08/80/397340880.db2.gz CSDSGRRXNCVCLO-LLVKDONJSA-N 0 0 310.398 0.069 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408008603 397343947 /nfs/dbraw/zinc/34/39/47/397343947.db2.gz OYJXPIZYTZATHA-UTUOFQBUSA-N 0 0 303.428 0.420 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCS1(=O)=O ZINC000408196844 397349284 /nfs/dbraw/zinc/34/92/84/397349284.db2.gz CSJSMBBYANWJQA-WDEREUQCSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CCS1(=O)=O ZINC000408236675 397350272 /nfs/dbraw/zinc/35/02/72/397350272.db2.gz PWJATHZGBHOZNL-ONGXEEELSA-N 0 0 312.395 0.096 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408260531 397351811 /nfs/dbraw/zinc/35/18/11/397351811.db2.gz VWAOJGNIKKRHBI-WBMJQRKESA-N 0 0 317.393 0.579 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000408266427 397352009 /nfs/dbraw/zinc/35/20/09/397352009.db2.gz PKUZDMBONFTHDF-LLVKDONJSA-N 0 0 306.428 0.541 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000366504222 397368932 /nfs/dbraw/zinc/36/89/32/397368932.db2.gz JRAOJTDCALZCHD-KVSVUVNWSA-N 0 0 317.407 0.815 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000366581994 397383005 /nfs/dbraw/zinc/38/30/05/397383005.db2.gz OXCKAPCHOXMHTJ-MPKXVKKWSA-N 0 0 314.407 0.314 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CC[C@@H]3OCCN[C@@H]3C2)s1 ZINC000404110161 397327249 /nfs/dbraw/zinc/32/72/49/397327249.db2.gz DFQMCRXUZDYERF-ZJUUUORDSA-N 0 0 303.409 0.203 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H](c2ccccc2)[C@H](C)O)nn1 ZINC000620981496 397329011 /nfs/dbraw/zinc/32/90/11/397329011.db2.gz GOLMLHWEWXMNMF-NHYWBVRUSA-N 0 0 302.334 0.719 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000614456603 397442653 /nfs/dbraw/zinc/44/26/53/397442653.db2.gz SZNLPZOUNBTAPI-RISCZKNCSA-N 0 0 313.361 0.723 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000578112779 397391658 /nfs/dbraw/zinc/39/16/58/397391658.db2.gz BFBNRQCCROUEQF-UHFFFAOYSA-N 0 0 316.317 0.580 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000367631689 397404993 /nfs/dbraw/zinc/40/49/93/397404993.db2.gz RSUHXUZJQBMXIT-AGIUHOORSA-N 0 0 313.398 0.443 10 0 DCAERN C[C@@H]1CCOCCN1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000368130615 397414306 /nfs/dbraw/zinc/41/43/06/397414306.db2.gz DLOJRKWSKTZKCB-CQSZACIVSA-N 0 0 305.426 0.839 10 0 DCAERN C[C@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000249281589 299679773 /nfs/dbraw/zinc/67/97/73/299679773.db2.gz KWNAKSFLUNKUCF-WZRBSPASSA-N 0 0 322.413 0.814 10 0 DCAERN Cn1nncc1CC(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000614605173 397478942 /nfs/dbraw/zinc/47/89/42/397478942.db2.gz WSHSAUQLJGRPPA-INIZCTEOSA-N 0 0 313.405 0.743 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614651051 397491179 /nfs/dbraw/zinc/49/11/79/397491179.db2.gz FLRDZNGJINDHNA-UHFFFAOYSA-N 0 0 308.382 0.682 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](C)O[C@H](CO)C2)s1 ZINC000602816681 397493843 /nfs/dbraw/zinc/49/38/43/397493843.db2.gz RDMFOMGLFJIFPY-UWVGGRQHSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)n1cccn1 ZINC000488161874 397486938 /nfs/dbraw/zinc/48/69/38/397486938.db2.gz MTROJJCBJKVSEF-VWYCJHECSA-N 0 0 310.354 0.017 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(C)(C)O ZINC000578951617 397504878 /nfs/dbraw/zinc/50/48/78/397504878.db2.gz JDKROYBAUWMAHT-NXEZZACHSA-N 0 0 302.371 0.110 10 0 DCAERN CCc1nsc(N2CCCN(C[C@](C)(O)C(C)=O)CC2)n1 ZINC000578991619 397510550 /nfs/dbraw/zinc/51/05/50/397510550.db2.gz FPECGMPNNMQPHW-AWEZNQCLSA-N 0 0 312.439 0.953 10 0 DCAERN CCN(C[C@H](O)COC[C@H]1CCCO1)[C@@H](C)CS(C)(=O)=O ZINC000602958867 397534631 /nfs/dbraw/zinc/53/46/31/397534631.db2.gz VCRXBDWMGNDHSM-MELADBBJSA-N 0 0 323.455 0.298 10 0 DCAERN CCC(C)(C)[C@H](O)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC000606444867 397681399 /nfs/dbraw/zinc/68/13/99/397681399.db2.gz BYVZHASKCADMFI-IUODEOHRSA-N 0 0 323.437 0.954 10 0 DCAERN C[C@@H](NCc1cn(C)nn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608055612 397714973 /nfs/dbraw/zinc/71/49/73/397714973.db2.gz WXVRTHRTEQOGAQ-LLVKDONJSA-N 0 0 323.422 0.916 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C)[nH]c1C ZINC000609523576 397778863 /nfs/dbraw/zinc/77/88/63/397778863.db2.gz YNMAWMFJIAFKAE-UHFFFAOYSA-N 0 0 323.393 0.579 10 0 DCAERN CCc1n[nH]cc1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000608590897 397738529 /nfs/dbraw/zinc/73/85/29/397738529.db2.gz HWVJEOQHMUWQNQ-CLAHSXSESA-N 0 0 305.338 0.080 10 0 DCAERN COC(=O)CN(C(=O)c1cn2cccnc2n1)C1CCOCC1 ZINC000610311991 397815126 /nfs/dbraw/zinc/81/51/26/397815126.db2.gz NVVGFRSKLJXARK-UHFFFAOYSA-N 0 0 318.333 0.524 10 0 DCAERN c1[nH]nc([C@@H]2CCOC2)c1-c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329579496 296598178 /nfs/dbraw/zinc/59/81/78/296598178.db2.gz KTZHKOPGBRJAIA-PWSUYJOCSA-N 0 0 316.365 0.636 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)CN2C)C1 ZINC000328976438 286111608 /nfs/dbraw/zinc/11/16/08/286111608.db2.gz CZNAIRSOLKHTFT-RVMXOQNASA-N 0 0 324.381 0.386 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246878586 286112528 /nfs/dbraw/zinc/11/25/28/286112528.db2.gz GKQMSRSTEXTENJ-KFWWJZLASA-N 0 0 314.426 0.607 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CC[S@](C)=O)C12CCOCC2 ZINC000186466776 286255282 /nfs/dbraw/zinc/25/52/82/286255282.db2.gz XIAYNALQKGGBJZ-HTGLOVNISA-N 0 0 303.424 0.845 10 0 DCAERN COCCCCS(=O)(=O)N1CCNC(=O)[C@H]1CC(C)C ZINC000188899841 292324277 /nfs/dbraw/zinc/32/42/77/292324277.db2.gz UTFDBPGXOVNJEZ-GFCCVEGCSA-N 0 0 306.428 0.589 10 0 DCAERN COCCCNC(=O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369553982 292357987 /nfs/dbraw/zinc/35/79/87/292357987.db2.gz WPNFQXXDKOYQNX-HNNXBMFYSA-N 0 0 300.399 0.409 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1ncc(C)s1 ZINC000177942081 286653597 /nfs/dbraw/zinc/65/35/97/286653597.db2.gz KEJPHKDTQWUEAO-SECBINFHSA-N 0 0 305.425 0.910 10 0 DCAERN CCOCCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000047074028 158002796 /nfs/dbraw/zinc/00/27/96/158002796.db2.gz FMZFZHBTOASUIG-AWEZNQCLSA-N 0 0 312.410 0.901 10 0 DCAERN Cc1nnc(CN2CCN(CC(=O)N3CCCCC3)CC2)n1C ZINC000047541337 158003148 /nfs/dbraw/zinc/00/31/48/158003148.db2.gz UYTWVSASBHFTBF-UHFFFAOYSA-N 0 0 320.441 0.254 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2nccs2)C[C@H](C)O1 ZINC000051163037 158013216 /nfs/dbraw/zinc/01/32/16/158013216.db2.gz JVLZDTYXQGRXGF-AOOOYVTPSA-N 0 0 305.425 0.629 10 0 DCAERN CN(CCOc1ccccc1F)C(=O)CN1CCNC(=O)CC1 ZINC000065954655 158035013 /nfs/dbraw/zinc/03/50/13/158035013.db2.gz XOCAKWQNQHRXOD-UHFFFAOYSA-N 0 0 323.368 0.485 10 0 DCAERN CC(C)(C)C(=O)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000066731192 158037973 /nfs/dbraw/zinc/03/79/73/158037973.db2.gz BINJZUFIVAGNFS-UHFFFAOYSA-N 0 0 308.382 0.359 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000073799425 158057404 /nfs/dbraw/zinc/05/74/04/158057404.db2.gz GSLSVRQETZCKFD-NSHDSACASA-N 0 0 311.426 0.864 10 0 DCAERN CC(C)C[C@@H](C)S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000074367912 158058031 /nfs/dbraw/zinc/05/80/31/158058031.db2.gz KHPKRMNBOFJCFL-LLVKDONJSA-N 0 0 306.428 0.623 10 0 DCAERN CCNC(=O)NC(=O)CNc1cc(-n2cnnn2)ccc1F ZINC000076667209 158065528 /nfs/dbraw/zinc/06/55/28/158065528.db2.gz QTUZRFJHJASAKU-UHFFFAOYSA-N 0 0 307.289 0.059 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCc2cccc(OC)n2)n(C)n1 ZINC000077744113 158070614 /nfs/dbraw/zinc/07/06/14/158070614.db2.gz YMTHHHHBXCIVSQ-UHFFFAOYSA-N 0 0 317.349 0.641 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCOc3ccccc32)CC1=O ZINC000078780715 158075732 /nfs/dbraw/zinc/07/57/32/158075732.db2.gz APPKIIZLURRANY-GFCCVEGCSA-N 0 0 304.346 0.907 10 0 DCAERN COC(=O)C[C@@H](C)S(=O)(=O)CC(=O)NC1CCCCC1 ZINC000078882218 158075735 /nfs/dbraw/zinc/07/57/35/158075735.db2.gz LLRMZIIBHFLHCW-SNVBAGLBSA-N 0 0 305.396 0.802 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(n2cncn2)CC1 ZINC000079055072 158076623 /nfs/dbraw/zinc/07/66/23/158076623.db2.gz JKMWSJZRACOXCT-LLVKDONJSA-N 0 0 318.381 0.388 10 0 DCAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)c(F)c1 ZINC000079297009 158077356 /nfs/dbraw/zinc/07/73/56/158077356.db2.gz LFRLHMBWNBYFOT-SSDOTTSWSA-N 0 0 309.276 0.533 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)N(CCO)C1CC1 ZINC000079158018 158077620 /nfs/dbraw/zinc/07/76/20/158077620.db2.gz MLJBTUXFAXATFC-UHFFFAOYSA-N 0 0 305.382 0.612 10 0 DCAERN O=C(NC1CCOCC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000080089170 158080139 /nfs/dbraw/zinc/08/01/39/158080139.db2.gz YNANVCXUUGUFPO-CYBMUJFWSA-N 0 0 305.382 0.924 10 0 DCAERN CN(C)C(=O)CN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000079871810 158080173 /nfs/dbraw/zinc/08/01/73/158080173.db2.gz GGDXUJZPSCXWJW-SNVBAGLBSA-N 0 0 309.332 0.807 10 0 DCAERN CSC[C@@H](CCO)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083734407 158088499 /nfs/dbraw/zinc/08/84/99/158088499.db2.gz NLLIBJDZBAJEJY-GHMZBOCLSA-N 0 0 313.427 0.835 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000086448275 158091364 /nfs/dbraw/zinc/09/13/64/158091364.db2.gz ACYGEFFUKITNMO-NSHDSACASA-N 0 0 314.349 0.859 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC2(C1)OCCO2 ZINC000088756583 158094330 /nfs/dbraw/zinc/09/43/30/158094330.db2.gz HCFCHWDTWXTWDP-NSHDSACASA-N 0 0 321.381 0.834 10 0 DCAERN Cc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C(N)=O)c21 ZINC000091784625 158109402 /nfs/dbraw/zinc/10/94/02/158109402.db2.gz JLNCVMXSRSUYIE-CYBMUJFWSA-N 0 0 301.346 0.732 10 0 DCAERN CC(C)c1cccc(OCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784043 158109934 /nfs/dbraw/zinc/10/99/34/158109934.db2.gz NRHHXZDVCXTXLT-CQSZACIVSA-N 0 0 306.362 0.902 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2c(C)[nH]c(=O)nc2SC)C1 ZINC000093295089 158120168 /nfs/dbraw/zinc/12/01/68/158120168.db2.gz YGIVVWLLEBGBQX-QMMMGPOBSA-N 0 0 311.363 0.848 10 0 DCAERN Cn1cc([C@@H]2NC(=O)[C@@H]3COCCN23)c(-c2cccs2)n1 ZINC000093883022 158120560 /nfs/dbraw/zinc/12/05/60/158120560.db2.gz XHWTWIZKEVBGKZ-GXFFZTMASA-N 0 0 304.375 0.978 10 0 DCAERN CCCN(C[C@H]1CCCCO1)S(=O)(=O)N1CCOCC1 ZINC000106894900 158133408 /nfs/dbraw/zinc/13/34/08/158133408.db2.gz DDWQHXBBXGARRV-CYBMUJFWSA-N 0 0 306.428 0.845 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC2CC2)CC1 ZINC000110817737 158138471 /nfs/dbraw/zinc/13/84/71/158138471.db2.gz XKUACNYBTGDQHD-CYBMUJFWSA-N 0 0 309.410 0.178 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648326 158142689 /nfs/dbraw/zinc/14/26/89/158142689.db2.gz VFDHFXPLLAICDM-ZJUUUORDSA-N 0 0 309.395 0.021 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N[C@H]1CCc2ncnn2C1 ZINC000112661384 158144197 /nfs/dbraw/zinc/14/41/97/158144197.db2.gz QMMHXIFKXPWXAV-JTQLQIEISA-N 0 0 303.322 0.122 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)NC(N)=O)CC1 ZINC000115451182 158161575 /nfs/dbraw/zinc/16/15/75/158161575.db2.gz BPJAIYFSIPKAKT-SNVBAGLBSA-N 0 0 324.356 0.540 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CCOc2ccccc2F)C1 ZINC000116891222 158168449 /nfs/dbraw/zinc/16/84/49/158168449.db2.gz LOOZLZYUDLGEBX-NSHDSACASA-N 0 0 302.371 0.828 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CC(=O)NCC2CCCCC2)C1 ZINC000116892421 158168941 /nfs/dbraw/zinc/16/89/41/158168941.db2.gz ZAEBXRMPJRHTOP-ZDUSSCGKSA-N 0 0 317.455 0.306 10 0 DCAERN CCC(C)(C)NC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890362 158168955 /nfs/dbraw/zinc/16/89/55/158168955.db2.gz DRANWLHVVHBVOZ-QWRGUYRKSA-N 0 0 305.444 0.303 10 0 DCAERN COCCN1CCN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1C ZINC000117291047 158170319 /nfs/dbraw/zinc/17/03/19/158170319.db2.gz ZQFGDHRBRVCBCK-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN CCOCCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000117275062 158170792 /nfs/dbraw/zinc/17/07/92/158170792.db2.gz KXKNCDDGCVMWPY-LBPRGKRZSA-N 0 0 310.398 0.164 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000117923119 158174779 /nfs/dbraw/zinc/17/47/79/158174779.db2.gz SAYABQWCJTWRDP-LBPRGKRZSA-N 0 0 322.390 0.721 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000118115468 158175807 /nfs/dbraw/zinc/17/58/07/158175807.db2.gz ADOPCYPCGCUWGH-CYBMUJFWSA-N 0 0 305.378 0.689 10 0 DCAERN CCCCS[C@@H](C)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000119574842 158189385 /nfs/dbraw/zinc/18/93/85/158189385.db2.gz USOJIMXEGYULAD-QWHCGFSZSA-N 0 0 304.456 0.718 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCC(O)CC1 ZINC000119850805 158191128 /nfs/dbraw/zinc/19/11/28/158191128.db2.gz NEQVEGXWNOIJLW-CQSZACIVSA-N 0 0 318.373 0.980 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000120016536 158192592 /nfs/dbraw/zinc/19/25/92/158192592.db2.gz YWWSTERDMHAUPW-UONOGXRCSA-N 0 0 306.472 0.587 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C)CCCO2)C1 ZINC000120130689 158193260 /nfs/dbraw/zinc/19/32/60/158193260.db2.gz QNAYSVNNOZZLOI-WCQYABFASA-N 0 0 304.412 0.484 10 0 DCAERN CCCOCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120064390 158193745 /nfs/dbraw/zinc/19/37/45/158193745.db2.gz BHDHQMCYHMJANY-GFCCVEGCSA-N 0 0 304.412 0.440 10 0 DCAERN Cc1ccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000120200313 158195040 /nfs/dbraw/zinc/19/50/40/158195040.db2.gz UMFWCKRPTZVPKQ-MRXNPFEDSA-N 0 0 306.406 0.737 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CCC(n2cncn2)CC1 ZINC000120290647 158196756 /nfs/dbraw/zinc/19/67/56/158196756.db2.gz YIVAMONMHJPQBQ-UHFFFAOYSA-N 0 0 324.348 0.731 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC([C@@H](C)O)CC2)C1 ZINC000120448014 158197955 /nfs/dbraw/zinc/19/79/55/158197955.db2.gz KUQRCOLPPMLKJS-YPMHNXCESA-N 0 0 312.414 0.593 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC([C@H](C)O)CC2)C1 ZINC000120448481 158198122 /nfs/dbraw/zinc/19/81/22/158198122.db2.gz KUQRCOLPPMLKJS-WCQYABFASA-N 0 0 312.414 0.593 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000121303141 158208833 /nfs/dbraw/zinc/20/88/33/158208833.db2.gz VMPOKMWESRQWQT-LBPRGKRZSA-N 0 0 323.397 0.662 10 0 DCAERN CC(C)N(C)S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121744174 158214446 /nfs/dbraw/zinc/21/44/46/158214446.db2.gz STMKVBOVAYJNHC-SNVBAGLBSA-N 0 0 301.416 0.850 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000121759306 158214650 /nfs/dbraw/zinc/21/46/50/158214650.db2.gz SEPPROHJDPXOLX-XQHKEYJVSA-N 0 0 306.428 0.481 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)CC1 ZINC000121800769 158215488 /nfs/dbraw/zinc/21/54/88/158215488.db2.gz KOHLHYBHPXXPGE-CYBMUJFWSA-N 0 0 320.397 0.022 10 0 DCAERN CCCNC(=O)CCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000121788862 158215561 /nfs/dbraw/zinc/21/55/61/158215561.db2.gz XWQFIWUNZNXZRA-UHFFFAOYSA-N 0 0 319.365 0.874 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2c3ccccc3NC2=O)CCS1(=O)=O ZINC000122015498 158217586 /nfs/dbraw/zinc/21/75/86/158217586.db2.gz NAVLTLWTLJEIGD-PWSUYJOCSA-N 0 0 322.386 0.758 10 0 DCAERN CNc1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000122661540 158222657 /nfs/dbraw/zinc/22/26/57/158222657.db2.gz QUJCFROPRSSCEF-WDEREUQCSA-N 0 0 310.423 0.978 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)[C@H](C)C1CCOCC1 ZINC000123366329 158228942 /nfs/dbraw/zinc/22/89/42/158228942.db2.gz ZMEUTPJUYQQZQL-GFCCVEGCSA-N 0 0 300.399 0.660 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC000123286669 158229187 /nfs/dbraw/zinc/22/91/87/158229187.db2.gz GEUCUEYUEDSDTF-XJFOESAGSA-N 0 0 312.410 0.753 10 0 DCAERN O=C(NCCN1CCOCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123890054 158235514 /nfs/dbraw/zinc/23/55/14/158235514.db2.gz LKYFIORFAPGGMQ-OAHLLOKOSA-N 0 0 320.393 0.577 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000124134331 158238177 /nfs/dbraw/zinc/23/81/77/158238177.db2.gz SNCINKSGLYKLNB-UHFFFAOYSA-N 0 0 318.377 0.656 10 0 DCAERN CNC(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000124405778 158241005 /nfs/dbraw/zinc/24/10/05/158241005.db2.gz YGGYVHHRCOJDHY-UHFFFAOYSA-N 0 0 300.318 0.736 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000124529207 158243445 /nfs/dbraw/zinc/24/34/45/158243445.db2.gz OCONGETVUDGWMA-JOYOIKCWSA-N 0 0 308.382 0.528 10 0 DCAERN O=C(Cc1ccccc1)NCC(=O)N1CCN(C2CC2)CC1 ZINC000124909061 158249085 /nfs/dbraw/zinc/24/90/85/158249085.db2.gz NMNNPCBPIBLWCY-UHFFFAOYSA-N 0 0 301.390 0.652 10 0 DCAERN CCOC(=O)c1csc(NCCC(=O)N2CCOCC2)n1 ZINC000125099020 158250310 /nfs/dbraw/zinc/25/03/10/158250310.db2.gz AWTNPFVIUSLNOQ-UHFFFAOYSA-N 0 0 313.379 0.981 10 0 DCAERN COCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000125621624 158258081 /nfs/dbraw/zinc/25/80/81/158258081.db2.gz QPGPBRPAYNHSKT-LLVKDONJSA-N 0 0 306.428 0.878 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCNC(=O)CC2)c1C ZINC000125640860 158258422 /nfs/dbraw/zinc/25/84/22/158258422.db2.gz AZGSKGWJAYORDM-NSHDSACASA-N 0 0 321.377 0.811 10 0 DCAERN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCNC(=O)CC1 ZINC000126147445 158262208 /nfs/dbraw/zinc/26/22/08/158262208.db2.gz YWGFFEBNURITMG-KGLIPLIRSA-N 0 0 311.426 0.520 10 0 DCAERN CCCC(=O)NCC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000126057926 158262461 /nfs/dbraw/zinc/26/24/61/158262461.db2.gz ZRXOFHFFVRFTNC-UHFFFAOYSA-N 0 0 317.389 0.998 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 ZINC000126310744 158264427 /nfs/dbraw/zinc/26/44/27/158264427.db2.gz KVEYHXCXNBDJHJ-HNNXBMFYSA-N 0 0 313.317 0.478 10 0 DCAERN O=C(CN1CCO[C@@H](c2cccc(O)c2)C1)N1CCOCC1 ZINC000126439755 158265118 /nfs/dbraw/zinc/26/51/18/158265118.db2.gz CRVXZBVAOWBDQM-OAHLLOKOSA-N 0 0 306.362 0.624 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCCc3c(N)cccc32)C1=O ZINC000126792931 158267828 /nfs/dbraw/zinc/26/78/28/158267828.db2.gz FWJGQXYGDOLSKC-UHFFFAOYSA-N 0 0 302.334 0.442 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127423092 158272721 /nfs/dbraw/zinc/27/27/21/158272721.db2.gz DPJNGNSVPZWQNG-IUODEOHRSA-N 0 0 305.378 0.828 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)NCCc1cc(F)ccc1F ZINC000127287857 158273016 /nfs/dbraw/zinc/27/30/16/158273016.db2.gz AKMUZYVAMAPEJZ-CQSZACIVSA-N 0 0 312.316 0.871 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127423568 158273037 /nfs/dbraw/zinc/27/30/37/158273037.db2.gz DPJNGNSVPZWQNG-DOMZBBRYSA-N 0 0 305.378 0.828 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000127616872 158274116 /nfs/dbraw/zinc/27/41/16/158274116.db2.gz TVSLMJKCWPUJGC-UHFFFAOYSA-N 0 0 305.378 0.589 10 0 DCAERN COc1cccc([C@@H]2CN([C@@H]3CC(=O)N(C)C3=O)CCO2)c1 ZINC000130468041 158296602 /nfs/dbraw/zinc/29/66/02/158296602.db2.gz VBDRIUNUTSZNDY-KGLIPLIRSA-N 0 0 304.346 0.826 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)CCC1=O ZINC000131086393 158298299 /nfs/dbraw/zinc/29/82/99/158298299.db2.gz QXWNBQOXQIBZSK-GFCCVEGCSA-N 0 0 301.346 0.922 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)CO)N1CCCS1(=O)=O ZINC000131711050 158304692 /nfs/dbraw/zinc/30/46/92/158304692.db2.gz IAQXQQRCJVDTPR-SDDRHHMPSA-N 0 0 306.428 0.180 10 0 DCAERN CCc1nc(CN2CCN([C@@H]3CCCCNC3=O)CC2)no1 ZINC000131913574 158306951 /nfs/dbraw/zinc/30/69/51/158306951.db2.gz LPESWBZGNALOPX-GFCCVEGCSA-N 0 0 307.398 0.418 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000132314185 158308971 /nfs/dbraw/zinc/30/89/71/158308971.db2.gz GPRJKJWHKDHLND-AWEZNQCLSA-N 0 0 323.397 0.229 10 0 DCAERN C[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132276624 158309491 /nfs/dbraw/zinc/30/94/91/158309491.db2.gz VDTMEVHADGWBHK-HOCLYGCPSA-N 0 0 306.406 0.675 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000133283713 158318395 /nfs/dbraw/zinc/31/83/95/158318395.db2.gz IYDARHVALTURGQ-UHFFFAOYSA-N 0 0 320.455 0.933 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCCC1=O)CC2 ZINC000133715025 158322365 /nfs/dbraw/zinc/32/23/65/158322365.db2.gz NFOFRNFPFOEDKB-LLVKDONJSA-N 0 0 305.382 0.455 10 0 DCAERN COC(=O)NCCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133967245 158323307 /nfs/dbraw/zinc/32/33/07/158323307.db2.gz LCGSBNZCDXLOSN-LLVKDONJSA-N 0 0 323.397 0.969 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCCn1ccnc1 ZINC000134537249 158326823 /nfs/dbraw/zinc/32/68/23/158326823.db2.gz GDDXMXIRVOLPJB-OLZOCXBDSA-N 0 0 316.427 0.559 10 0 DCAERN CC(C)[C@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)C(N)=O ZINC000134488821 158327549 /nfs/dbraw/zinc/32/75/49/158327549.db2.gz VQAUUXJDSQNLPB-YPMHNXCESA-N 0 0 318.377 0.922 10 0 DCAERN CCCCNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756190 158331190 /nfs/dbraw/zinc/33/11/90/158331190.db2.gz UYPBQPYBXYPMEY-GFCCVEGCSA-N 0 0 303.428 0.996 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000135080317 158333619 /nfs/dbraw/zinc/33/36/19/158333619.db2.gz GUTMABIRHSGEQT-QWHCGFSZSA-N 0 0 310.398 0.307 10 0 DCAERN O=C(CN1CCCC1=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135227309 158334887 /nfs/dbraw/zinc/33/48/87/158334887.db2.gz GTHLGAOIIWHNTC-AWEZNQCLSA-N 0 0 304.346 0.915 10 0 DCAERN CC(C)CNC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743786 158339931 /nfs/dbraw/zinc/33/99/31/158339931.db2.gz OBGVIHYNKOJLFN-ZDUSSCGKSA-N 0 0 317.455 0.259 10 0 DCAERN Cn1cnnc1SCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135794172 158340070 /nfs/dbraw/zinc/34/00/70/158340070.db2.gz LIILNHRFFWJFDU-LBPRGKRZSA-N 0 0 319.390 0.982 10 0 DCAERN CC(C)(C)NC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757771 158340322 /nfs/dbraw/zinc/34/03/22/158340322.db2.gz PCQXLEBAAVUNBD-GFCCVEGCSA-N 0 0 317.455 0.401 10 0 DCAERN CCOCCOCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135806164 158340422 /nfs/dbraw/zinc/34/04/22/158340422.db2.gz ISHUDAUGWMUEIU-UHFFFAOYSA-N 0 0 307.354 0.812 10 0 DCAERN NC(=O)COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000151023802 158348816 /nfs/dbraw/zinc/34/88/16/158348816.db2.gz CLKZIGLGDPTRHN-TZMCWYRMSA-N 0 0 306.362 0.832 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)cn1 ZINC000164546037 158363239 /nfs/dbraw/zinc/36/32/39/158363239.db2.gz FAPUDWDQTGXKKJ-SNVBAGLBSA-N 0 0 301.354 0.945 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCc3n[nH]cc3C2)cn1 ZINC000164546158 158363240 /nfs/dbraw/zinc/36/32/40/158363240.db2.gz FAPUDWDQTGXKKJ-JTQLQIEISA-N 0 0 301.354 0.945 10 0 DCAERN Cn1ncc(NCCCn2ccnn2)c(Br)c1=O ZINC000168031739 158370925 /nfs/dbraw/zinc/37/09/25/158370925.db2.gz KENHYGZXOOIHFK-UHFFFAOYSA-N 0 0 313.159 0.637 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000168758350 158372574 /nfs/dbraw/zinc/37/25/74/158372574.db2.gz NKAGANMUJFECAC-XQHKEYJVSA-N 0 0 303.424 0.962 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CC2CCOCC2)cc1 ZINC000170218797 158373615 /nfs/dbraw/zinc/37/36/15/158373615.db2.gz IOTGUPPXFFUCLD-UHFFFAOYSA-N 0 0 312.391 0.767 10 0 DCAERN Cc1nc2n(n1)C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)CC2 ZINC000170737753 158375963 /nfs/dbraw/zinc/37/59/63/158375963.db2.gz PNCGXSIYAGNQSN-CMPLNLGQSA-N 0 0 313.427 0.468 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(CO)c(F)c1 ZINC000170855087 158376821 /nfs/dbraw/zinc/37/68/21/158376821.db2.gz MJSMFGUOWPPCAS-CYBMUJFWSA-N 0 0 312.366 0.856 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000170921398 158378374 /nfs/dbraw/zinc/37/83/74/158378374.db2.gz BBQQOBHLAVOCFY-CYBMUJFWSA-N 0 0 309.414 0.209 10 0 DCAERN COCCN(CC(F)F)C(=O)NCCCN1CCCC1=O ZINC000171408252 158382272 /nfs/dbraw/zinc/38/22/72/158382272.db2.gz ZPAHOYSQAQQNNM-UHFFFAOYSA-N 0 0 307.341 0.922 10 0 DCAERN CC(=O)N1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172117318 158390409 /nfs/dbraw/zinc/39/04/09/158390409.db2.gz VRTUBHIFBMDZFL-NNQSOWQGSA-N 0 0 309.410 0.800 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000172199039 158391959 /nfs/dbraw/zinc/39/19/59/158391959.db2.gz JWWGRAUWHROJMA-AWEZNQCLSA-N 0 0 321.425 0.888 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000172261941 158393434 /nfs/dbraw/zinc/39/34/34/158393434.db2.gz YQUFJJDGMRTVJX-SNVBAGLBSA-N 0 0 302.400 0.111 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCC(c2cc[nH]n2)CC1 ZINC000172383321 158394105 /nfs/dbraw/zinc/39/41/05/158394105.db2.gz OXRABFSEPCTXRY-UHFFFAOYSA-N 0 0 311.349 0.796 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](C)n1cncn1)CC2 ZINC000172418210 158394208 /nfs/dbraw/zinc/39/42/08/158394208.db2.gz OBKGJPQBWNNBAZ-QWRGUYRKSA-N 0 0 303.370 0.685 10 0 DCAERN CCOc1ncccc1CNC(=O)CNC(=O)c1ccccn1 ZINC000172507103 158394598 /nfs/dbraw/zinc/39/45/98/158394598.db2.gz DTHRCFMUTJQEGQ-UHFFFAOYSA-N 0 0 314.345 0.922 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172551351 158395533 /nfs/dbraw/zinc/39/55/33/158395533.db2.gz HNSWIPMSGCDMLB-QWHCGFSZSA-N 0 0 321.425 0.923 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](C2OCCO2)C1 ZINC000172602909 158396458 /nfs/dbraw/zinc/39/64/58/158396458.db2.gz DTCCKZMPWPBUFU-NEPJUHHUSA-N 0 0 321.381 0.387 10 0 DCAERN CC(=O)NC1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCCCC1 ZINC000172747195 158398822 /nfs/dbraw/zinc/39/88/22/158398822.db2.gz QTFUOGINUARFCC-HNNXBMFYSA-N 0 0 323.437 0.759 10 0 DCAERN Cc1nc(CNC(=O)Nc2cccc(-n3nnnc3C)c2)no1 ZINC000174935636 158422580 /nfs/dbraw/zinc/42/25/80/158422580.db2.gz NPQPOZXJZUGEDR-UHFFFAOYSA-N 0 0 314.309 0.984 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H](CO)c2ccccc2)CCC1=O ZINC000176284575 158435305 /nfs/dbraw/zinc/43/53/05/158435305.db2.gz AQXLETBQTQPOLB-ZIAGYGMSSA-N 0 0 305.378 0.683 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000178677506 158461814 /nfs/dbraw/zinc/46/18/14/158461814.db2.gz ZVYVAHZULDMAKZ-TZMCWYRMSA-N 0 0 311.426 0.912 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000178697557 158462254 /nfs/dbraw/zinc/46/22/54/158462254.db2.gz BNWDCOIQZUGZSK-HNNXBMFYSA-N 0 0 316.361 0.283 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cn1 ZINC000178936874 158466655 /nfs/dbraw/zinc/46/66/55/158466655.db2.gz MOMYVQDXHMBZMM-BVUQATHDSA-N 0 0 318.377 0.597 10 0 DCAERN C[C@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000179261624 158470737 /nfs/dbraw/zinc/47/07/37/158470737.db2.gz ZYSAJMOEIZLTTK-LBPRGKRZSA-N 0 0 318.439 0.543 10 0 DCAERN CCCCCN(CCO)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179438127 158471708 /nfs/dbraw/zinc/47/17/08/158471708.db2.gz ASLSRSQKTDQBGS-UHFFFAOYSA-N 0 0 311.386 0.646 10 0 DCAERN COCc1nc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)no1 ZINC000182449791 158493329 /nfs/dbraw/zinc/49/33/29/158493329.db2.gz RJLRZNFTIXTROK-CYBMUJFWSA-N 0 0 321.381 0.930 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)C[S@](C)=O ZINC000182784297 158494234 /nfs/dbraw/zinc/49/42/34/158494234.db2.gz DQOZYPPRTWQXMN-YHTWVZGRSA-N 0 0 322.430 0.843 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000183551641 158499668 /nfs/dbraw/zinc/49/96/68/158499668.db2.gz BGGRRGMIHXMDGZ-UHFFFAOYSA-N 0 0 322.413 0.568 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000184962056 158513387 /nfs/dbraw/zinc/51/33/87/158513387.db2.gz YBCNPXVLWZDLOA-VIFPVBQESA-N 0 0 317.340 0.643 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCC[C@@H](C(F)(F)F)C1 ZINC000185155009 158514648 /nfs/dbraw/zinc/51/46/48/158514648.db2.gz OYORXNFZTXQUDM-GMTAPVOTSA-N 0 0 310.316 0.215 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)C(=O)c2cnn(C)c2)C12CCOCC2 ZINC000187067697 158535689 /nfs/dbraw/zinc/53/56/89/158535689.db2.gz JSWXKUFMZCWBPI-OLZOCXBDSA-N 0 0 321.377 0.693 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000187323148 158536933 /nfs/dbraw/zinc/53/69/33/158536933.db2.gz TXCQAGQLLGOKOE-LLVKDONJSA-N 0 0 310.272 0.648 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187325032 158537340 /nfs/dbraw/zinc/53/73/40/158537340.db2.gz OBYFZBWEOGVVBR-SWLSCSKDSA-N 0 0 300.399 0.984 10 0 DCAERN CCN(C)C(=O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000187280060 158537370 /nfs/dbraw/zinc/53/73/70/158537370.db2.gz LXAAPAYTRRGYMD-UHFFFAOYSA-N 0 0 305.378 0.628 10 0 DCAERN CN1CCCN(C(=O)NCCc2cccc(C(N)=O)c2)CC1=O ZINC000187995743 158541839 /nfs/dbraw/zinc/54/18/39/158541839.db2.gz QUZHQDUBVVBOBS-UHFFFAOYSA-N 0 0 318.377 0.202 10 0 DCAERN CN(CC1CC(O)C1)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000190603144 158562137 /nfs/dbraw/zinc/56/21/37/158562137.db2.gz PUHLHEOKKVRVFR-OWYJLGKBSA-N 0 0 321.425 0.801 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000190681760 158562832 /nfs/dbraw/zinc/56/28/32/158562832.db2.gz VGZQXPOOJSIJFQ-ZDUSSCGKSA-N 0 0 305.382 0.378 10 0 DCAERN O=C(NCCOCCO)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000192687934 158577377 /nfs/dbraw/zinc/57/73/77/158577377.db2.gz MPUUIOSACPOHLX-HNNXBMFYSA-N 0 0 320.389 0.203 10 0 DCAERN CSCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000192954798 158579271 /nfs/dbraw/zinc/57/92/71/158579271.db2.gz IIGGFMQCOZNLCN-LBPRGKRZSA-N 0 0 300.424 0.837 10 0 DCAERN Cc1ccc(CN2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000193945833 158591558 /nfs/dbraw/zinc/59/15/58/158591558.db2.gz OWBFEPKLUCUEIK-CYBMUJFWSA-N 0 0 317.389 0.724 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)[C@H](C)N1CCOCC1 ZINC000248809555 158698022 /nfs/dbraw/zinc/69/80/22/158698022.db2.gz WZLHOAMKZVESEC-RWMBFGLXSA-N 0 0 312.414 0.016 10 0 DCAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285414494 158964885 /nfs/dbraw/zinc/96/48/85/158964885.db2.gz HQNOXCKWJLKGMM-AWEZNQCLSA-N 0 0 312.753 0.801 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328644466 159016710 /nfs/dbraw/zinc/01/67/10/159016710.db2.gz GPXMSZQEDOOHLG-UWVGGRQHSA-N 0 0 308.338 0.879 10 0 DCAERN CCCn1nccc1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC000328642695 159017080 /nfs/dbraw/zinc/01/70/80/159017080.db2.gz DZPUYVJCSDJFCN-UHFFFAOYSA-N 0 0 318.381 0.996 10 0 DCAERN O=C(C1CC1)[C@@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000328668775 159018831 /nfs/dbraw/zinc/01/88/31/159018831.db2.gz FJRXOBHOSSMBJF-CABCVRRESA-N 0 0 322.405 0.446 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)N1CCOCC1 ZINC000328689141 159021508 /nfs/dbraw/zinc/02/15/08/159021508.db2.gz CXDOIAIGPWQWFE-KGLIPLIRSA-N 0 0 307.398 0.237 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H](C)O1 ZINC000328767139 159028258 /nfs/dbraw/zinc/02/82/58/159028258.db2.gz FNQQGPRJCSZRIT-IQMDTDKHSA-N 0 0 309.366 0.547 10 0 DCAERN C[C@H](CC(=O)N1CC(=O)N(CC2CC2)C1)N1CCCCC1=O ZINC000328790863 159029579 /nfs/dbraw/zinc/02/95/79/159029579.db2.gz YZZCMZJCIXZBQN-GFCCVEGCSA-N 0 0 307.394 0.816 10 0 DCAERN O=C(CCc1cncc(F)c1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328912528 159041098 /nfs/dbraw/zinc/04/10/98/159041098.db2.gz PBNUZYHMJOOZMW-LBPRGKRZSA-N 0 0 305.313 0.872 10 0 DCAERN C[C@H](C(=O)Nc1ccnn1C[C@H]1CCOC1)N1CCOCC1 ZINC000328942073 159044988 /nfs/dbraw/zinc/04/49/88/159044988.db2.gz IJVGWRMYOITEDE-CHWSQXEVSA-N 0 0 308.382 0.579 10 0 DCAERN CCc1nnc([C@H](C)N2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985442 159050052 /nfs/dbraw/zinc/05/00/52/159050052.db2.gz ZRURFMPGGXGVSE-SMDDNHRTSA-N 0 0 306.370 0.812 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCN(C2CC2)CC1)n1cccn1 ZINC000329027620 159053819 /nfs/dbraw/zinc/05/38/19/159053819.db2.gz KEWMNIBDZQVWEF-ZDUSSCGKSA-N 0 0 319.409 0.209 10 0 DCAERN O=C(c1cnc2n(c1=O)CCS2)N1CCN(C2CC2)CC1 ZINC000329061367 159057425 /nfs/dbraw/zinc/05/74/25/159057425.db2.gz UUJZSSNHWJXNSH-UHFFFAOYSA-N 0 0 306.391 0.269 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000329089667 159060085 /nfs/dbraw/zinc/06/00/85/159060085.db2.gz WGYCJWBWSUPEQE-JTQLQIEISA-N 0 0 310.383 0.415 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC000329156767 159068471 /nfs/dbraw/zinc/06/84/71/159068471.db2.gz CBJSRMBVWSMVLO-KGLIPLIRSA-N 0 0 301.350 0.274 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)nc1 ZINC000329169930 159069727 /nfs/dbraw/zinc/06/97/27/159069727.db2.gz JKTMOFGJTUKRNG-HUUCEWRRSA-N 0 0 305.378 0.564 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCc4cncnc4C3)nc2n1 ZINC000329229087 159075235 /nfs/dbraw/zinc/07/52/35/159075235.db2.gz CIQJAOVYZXVCMP-UHFFFAOYSA-N 0 0 309.333 0.730 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)sc1C ZINC000329279773 159079259 /nfs/dbraw/zinc/07/92/59/159079259.db2.gz MOPIRPKFAHMVBW-MRVPVSSYSA-N 0 0 305.381 0.685 10 0 DCAERN O=C(N1CCC(OCCO)CC1)C1(N2CCOCC2)CCC1 ZINC000329346095 159083771 /nfs/dbraw/zinc/08/37/71/159083771.db2.gz UYZRIOAWHKLHMF-UHFFFAOYSA-N 0 0 312.410 0.241 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)cn1 ZINC000329529806 159100357 /nfs/dbraw/zinc/10/03/57/159100357.db2.gz VJNPUYNCKLCXLG-QWHCGFSZSA-N 0 0 306.366 0.424 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC3(C2)CCCOC3)nn1 ZINC000329563984 159102730 /nfs/dbraw/zinc/10/27/30/159102730.db2.gz JZDSHONYUREOPD-CHWSQXEVSA-N 0 0 322.365 0.117 10 0 DCAERN CCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@H]1C ZINC000329623006 159107155 /nfs/dbraw/zinc/10/71/55/159107155.db2.gz SBHJWMYQMOLZTO-SNVBAGLBSA-N 0 0 306.370 0.699 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCOC4)CCO2)c1 ZINC000329665385 159110289 /nfs/dbraw/zinc/11/02/89/159110289.db2.gz PVUKBUUTUPPLDP-SQWLQELKSA-N 0 0 305.378 0.846 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000329710110 159113583 /nfs/dbraw/zinc/11/35/83/159113583.db2.gz NMGLDTRHVMOLMH-HZPDHXFCSA-N 0 0 323.437 0.711 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)O1 ZINC000329715674 159113885 /nfs/dbraw/zinc/11/38/85/159113885.db2.gz VHHLATZJJPGESJ-RQJABVFESA-N 0 0 310.394 0.792 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329728803 159115417 /nfs/dbraw/zinc/11/54/17/159115417.db2.gz FQSLWRRHXAQDNL-SCRDCRAPSA-N 0 0 302.378 0.920 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1N1CCOCC1 ZINC000329755583 159117157 /nfs/dbraw/zinc/11/71/57/159117157.db2.gz YCXBGILNEDWYNT-DZGCQCFKSA-N 0 0 306.410 0.911 10 0 DCAERN O=C(Cc1cncnc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000329779826 159119171 /nfs/dbraw/zinc/11/91/71/159119171.db2.gz MFSKCQOJAWNHTF-AWEZNQCLSA-N 0 0 318.377 0.117 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000329851529 159123294 /nfs/dbraw/zinc/12/32/94/159123294.db2.gz TVNUZTBKRQPAAH-LBPRGKRZSA-N 0 0 318.381 0.940 10 0 DCAERN CCN1CCN(C[C@@H](O)CN2CCCC2=O)C[C@H]1c1ncc[nH]1 ZINC000329892296 159126823 /nfs/dbraw/zinc/12/68/23/159126823.db2.gz ADPDJXXQMPGKSY-KGLIPLIRSA-N 0 0 321.425 0.072 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](CO)O1 ZINC000329935366 159130537 /nfs/dbraw/zinc/13/05/37/159130537.db2.gz CMUDICGYZAWTQI-CIQGVGRVSA-N 0 0 309.366 0.106 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1cccnc1=O ZINC000330168742 159147548 /nfs/dbraw/zinc/14/75/48/159147548.db2.gz BBILOXZGGIRQBM-ZDUSSCGKSA-N 0 0 301.350 0.439 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)O)nn1 ZINC000330177291 159148230 /nfs/dbraw/zinc/14/82/30/159148230.db2.gz KQIRZDIHGSFTRK-FMKGYKFTSA-N 0 0 324.381 0.240 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000330186072 159148836 /nfs/dbraw/zinc/14/88/36/159148836.db2.gz JMMABVSNUKGHFS-UHFFFAOYSA-N 0 0 303.240 0.900 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CN2CCCCC2=O)C1 ZINC000330234286 159152746 /nfs/dbraw/zinc/15/27/46/159152746.db2.gz YHKCLQZIKIFIIY-NEPJUHHUSA-N 0 0 322.365 0.679 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CC(n3ccnn3)C2)cnn1C ZINC000330244869 159153235 /nfs/dbraw/zinc/15/32/35/159153235.db2.gz DKBMEDSNOQOLLD-JSGCOSHPSA-N 0 0 316.365 0.481 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000330441171 159173173 /nfs/dbraw/zinc/17/31/73/159173173.db2.gz UULVMZDPHPACQF-WPRPVWTQSA-N 0 0 301.412 0.327 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)CCNC(=O)C(C)C ZINC000330593242 159199015 /nfs/dbraw/zinc/19/90/15/159199015.db2.gz SDZYNRHYDCBULA-NSHDSACASA-N 0 0 301.412 0.138 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@@]2(CCCOC2)C1 ZINC000332778884 159213794 /nfs/dbraw/zinc/21/37/94/159213794.db2.gz NCZNMGNBABCZDB-FMKPAKJESA-N 0 0 312.410 0.552 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000332815359 159214606 /nfs/dbraw/zinc/21/46/06/159214606.db2.gz ZFGZGHIBZGSVNB-HZSPNIEDSA-N 0 0 311.426 0.613 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000332948093 159218157 /nfs/dbraw/zinc/21/81/57/159218157.db2.gz QXBKUHIKFVYWJA-VOAKCMCISA-N 0 0 323.372 0.870 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000332938330 159218304 /nfs/dbraw/zinc/21/83/04/159218304.db2.gz IPRHXSGBDVFBRJ-OAGGEKHMSA-N 0 0 322.453 0.981 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000332990503 159218390 /nfs/dbraw/zinc/21/83/90/159218390.db2.gz RENQVNFUTOEIBJ-OBCWZRDOSA-N 0 0 318.373 0.649 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C[C@H]1C ZINC000366894424 159295868 /nfs/dbraw/zinc/29/58/68/159295868.db2.gz UAYXBLFEXXTUSD-FRRDWIJNSA-N 0 0 310.394 0.950 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000367029945 159306389 /nfs/dbraw/zinc/30/63/89/159306389.db2.gz OLNBNRVTIIJVIF-NEPJUHHUSA-N 0 0 323.393 0.877 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN[C@@H](c3ccncc3)C2)C1 ZINC000367083969 159311895 /nfs/dbraw/zinc/31/18/95/159311895.db2.gz KCMUQPZIXIHBOV-UKRRQHHQSA-N 0 0 316.405 0.813 10 0 DCAERN COCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367230993 159323068 /nfs/dbraw/zinc/32/30/68/159323068.db2.gz LRQGPIAJCBSMPI-NEPJUHHUSA-N 0 0 307.412 0.120 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCOc2cccc(F)c2C1 ZINC000367313444 159330284 /nfs/dbraw/zinc/33/02/84/159330284.db2.gz XAIUCRDVUAWKMC-NSHDSACASA-N 0 0 321.308 0.535 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CCOCC[C@@H]2C)C1=O ZINC000367723986 159353738 /nfs/dbraw/zinc/35/37/38/159353738.db2.gz NNIKGLJCEQIXIQ-NSHDSACASA-N 0 0 311.382 0.734 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000368222211 159382900 /nfs/dbraw/zinc/38/29/00/159382900.db2.gz PUXSFNVGMFMQRF-LLVKDONJSA-N 0 0 305.382 0.809 10 0 DCAERN COc1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1OC ZINC000368323973 159387404 /nfs/dbraw/zinc/38/74/04/159387404.db2.gz LNBHCXIWFCTPOJ-CQSZACIVSA-N 0 0 320.389 0.789 10 0 DCAERN CCS(=O)(=O)NCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000368448330 159395399 /nfs/dbraw/zinc/39/53/99/159395399.db2.gz ZOKZSHXCVYAMCZ-AWEZNQCLSA-N 0 0 320.455 0.586 10 0 DCAERN O=C(C[C@H]1OC(=O)c2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000369903476 159484189 /nfs/dbraw/zinc/48/41/89/159484189.db2.gz YNHQDCNWUAYPDU-IUODEOHRSA-N 0 0 316.357 0.831 10 0 DCAERN O=C(CN1CCCS1(=O)=O)Nc1cccc2c1OCCC2 ZINC000371998996 159597085 /nfs/dbraw/zinc/59/70/85/159597085.db2.gz PDTBQDFGPUXTCU-UHFFFAOYSA-N 0 0 310.375 0.986 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)C(=O)N(C)C ZINC000372828221 159646336 /nfs/dbraw/zinc/64/63/36/159646336.db2.gz BAKMZNGYEJNHJS-JTQLQIEISA-N 0 0 319.361 0.543 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000373999256 159710351 /nfs/dbraw/zinc/71/03/51/159710351.db2.gz RAJIBTHJBLKTPM-LRDDRELGSA-N 0 0 309.410 0.810 10 0 DCAERN CCOCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000374773756 159751015 /nfs/dbraw/zinc/75/10/15/159751015.db2.gz AXPIIHQBIATKQT-UHFFFAOYSA-N 0 0 324.402 0.626 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374804933 159753469 /nfs/dbraw/zinc/75/34/69/159753469.db2.gz FNHMYSLUHUJGOO-QMTHXVAHSA-N 0 0 300.318 0.890 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000375864457 159824033 /nfs/dbraw/zinc/82/40/33/159824033.db2.gz BDYKCVKXJZDYMT-OZVIIMIRSA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](n2cc(C)cn2)C1 ZINC000378110283 159962600 /nfs/dbraw/zinc/96/26/00/159962600.db2.gz GOMFPXURFRVIFS-OLZOCXBDSA-N 0 0 308.407 0.886 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000378160254 159965310 /nfs/dbraw/zinc/96/53/10/159965310.db2.gz QHPUTEREZHWLEG-UHFFFAOYSA-N 0 0 305.334 0.155 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1 ZINC000407953637 159996266 /nfs/dbraw/zinc/99/62/66/159996266.db2.gz DOMNSIUFFOENCP-UHFFFAOYSA-N 0 0 310.375 0.788 10 0 DCAERN CC(C)[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)N1CCCC1=O ZINC000407954621 159996616 /nfs/dbraw/zinc/99/66/16/159996616.db2.gz GVQIHTKTGAJEFO-OAHLLOKOSA-N 0 0 307.394 0.467 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC(=O)N(C)[C@H](C)C3)cnc12 ZINC000407973013 160000269 /nfs/dbraw/zinc/00/02/69/160000269.db2.gz WTJPITALIQHQDG-LLVKDONJSA-N 0 0 314.345 0.306 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3c(n2)CCCC3)C[C@@H]1C ZINC000407976406 160000696 /nfs/dbraw/zinc/00/06/96/160000696.db2.gz ZQUVFOOQZJNISM-QWHCGFSZSA-N 0 0 306.410 0.747 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CC(=O)N(C)[C@H](C)C3)cnc2n1 ZINC000407974343 160000944 /nfs/dbraw/zinc/00/09/44/160000944.db2.gz SXUPZHUMLQRGQI-SNVBAGLBSA-N 0 0 314.345 0.947 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCS1 ZINC000407978388 160001511 /nfs/dbraw/zinc/00/15/11/160001511.db2.gz XVINKAVWHAEDSU-WDEREUQCSA-N 0 0 321.468 0.415 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000407982364 160002327 /nfs/dbraw/zinc/00/23/27/160002327.db2.gz YCZCNRXZRLWBKS-WCQYABFASA-N 0 0 308.378 0.451 10 0 DCAERN CNC(=O)NC1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000407982596 160002911 /nfs/dbraw/zinc/00/29/11/160002911.db2.gz ZIFXTZQVNYMPBK-UHFFFAOYSA-N 0 0 322.331 0.401 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000407991169 160005204 /nfs/dbraw/zinc/00/52/04/160005204.db2.gz SRXZBHBQMOJEOW-CQSZACIVSA-N 0 0 319.471 0.352 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000407997097 160006470 /nfs/dbraw/zinc/00/64/70/160006470.db2.gz OBKCFCMWADVVMZ-OUCADQQQSA-N 0 0 308.334 0.161 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000407999797 160007002 /nfs/dbraw/zinc/00/70/02/160007002.db2.gz XJAAOMCSKBPSDE-JGVFFNPUSA-N 0 0 317.333 0.278 10 0 DCAERN C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1CO ZINC000408005133 160008615 /nfs/dbraw/zinc/00/86/15/160008615.db2.gz OYUXATMMWVAMHA-HIFRSBDPSA-N 0 0 323.437 0.160 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)c(C)s1 ZINC000408006470 160008849 /nfs/dbraw/zinc/00/88/49/160008849.db2.gz AVXHHTDIYICTMT-MRVPVSSYSA-N 0 0 302.377 0.401 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCCO[C@@H](C)C3)nc2n1 ZINC000408008024 160009361 /nfs/dbraw/zinc/00/93/61/160009361.db2.gz KPGNUURIXVXEMJ-LBPRGKRZSA-N 0 0 303.366 0.921 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408006804 160009597 /nfs/dbraw/zinc/00/95/97/160009597.db2.gz BUJYLKOWYFKDQD-PHIMTYICSA-N 0 0 315.395 0.534 10 0 DCAERN O=C(c1csnn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408014685 160011261 /nfs/dbraw/zinc/01/12/61/160011261.db2.gz YYHBPJUDKXTLOL-JTQLQIEISA-N 0 0 310.379 0.249 10 0 DCAERN Cc1c(S(=O)(=O)N2CC(=O)N(C)C2)c2ccccc2n1C ZINC000408016114 160011928 /nfs/dbraw/zinc/01/19/28/160011928.db2.gz FUMDEWSPCWMRJE-UHFFFAOYSA-N 0 0 307.375 0.907 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024015 160015172 /nfs/dbraw/zinc/01/51/72/160015172.db2.gz WYQIADXTDKFQQI-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408029738 160015440 /nfs/dbraw/zinc/01/54/40/160015440.db2.gz YJBBZALHKXHRAM-NSHDSACASA-N 0 0 317.415 0.253 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cn1 ZINC000408028560 160015710 /nfs/dbraw/zinc/01/57/10/160015710.db2.gz PUUMCSXVRNIFRL-ZIAGYGMSSA-N 0 0 311.407 0.484 10 0 DCAERN COC[C@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CC(C)(C)O1 ZINC000408029083 160015801 /nfs/dbraw/zinc/01/58/01/160015801.db2.gz BBQCJLLWNMWCLJ-SECBINFHSA-N 0 0 307.354 0.699 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000408030510 160016481 /nfs/dbraw/zinc/01/64/81/160016481.db2.gz ZOUVJQBKUOZWIJ-JQWIXIFHSA-N 0 0 319.427 0.277 10 0 DCAERN CN(C)c1nccc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000408034739 160017740 /nfs/dbraw/zinc/01/77/40/160017740.db2.gz VBZOUODRGXTKCA-NEPJUHHUSA-N 0 0 323.372 0.318 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)n(C)n1 ZINC000408035810 160018967 /nfs/dbraw/zinc/01/89/67/160018967.db2.gz NPPHNYIZYQDJHY-LBPRGKRZSA-N 0 0 304.354 0.549 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@H]1C(N)=O ZINC000408039879 160019582 /nfs/dbraw/zinc/01/95/82/160019582.db2.gz ZXACKANEKWRABH-GHMZBOCLSA-N 0 0 303.366 0.270 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3ccccc3C2)C1 ZINC000408043820 160020280 /nfs/dbraw/zinc/02/02/80/160020280.db2.gz QXSVHBCWXBZBDV-QGZVFWFLSA-N 0 0 302.374 0.945 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000408044409 160021567 /nfs/dbraw/zinc/02/15/67/160021567.db2.gz NOQMOPOLLVLTOG-IUODEOHRSA-N 0 0 302.374 0.768 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408050301 160023440 /nfs/dbraw/zinc/02/34/40/160023440.db2.gz IYXBJOKQOCIZQD-SDDRHHMPSA-N 0 0 315.439 0.085 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000408055060 160025389 /nfs/dbraw/zinc/02/53/89/160025389.db2.gz QERGIPXXXIGXIH-LRDDRELGSA-N 0 0 312.410 0.822 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000408058297 160025678 /nfs/dbraw/zinc/02/56/78/160025678.db2.gz IRFKNDCNKLIXGK-ZDUSSCGKSA-N 0 0 307.394 0.374 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)nc1C ZINC000408058607 160025696 /nfs/dbraw/zinc/02/56/96/160025696.db2.gz KLSAQXPCZNJAMK-NSHDSACASA-N 0 0 324.410 0.898 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)CC[C@@H]21 ZINC000408066070 160026473 /nfs/dbraw/zinc/02/64/73/160026473.db2.gz UBXRSFNLSZEKHF-NEPJUHHUSA-N 0 0 317.349 0.415 10 0 DCAERN Cc1cc(N2CC[NH+](CC3(O)CCCC3)CC2)n2ncnc2n1 ZINC000408065082 160026571 /nfs/dbraw/zinc/02/65/71/160026571.db2.gz ZDFSYFMZVYETQL-UHFFFAOYSA-N 0 0 316.409 0.860 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](c2nc(C)no2)C1 ZINC000408067184 160027484 /nfs/dbraw/zinc/02/74/84/160027484.db2.gz BANCVLNPDTXJCO-SNVBAGLBSA-N 0 0 311.367 0.598 10 0 DCAERN CC(=O)NC1(C(=O)NC2CCC(C(N)=O)CC2)CCCCC1 ZINC000408072919 160029031 /nfs/dbraw/zinc/02/90/31/160029031.db2.gz JIDFEXCZYJPAHP-UHFFFAOYSA-N 0 0 309.410 0.986 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000408078027 160030795 /nfs/dbraw/zinc/03/07/95/160030795.db2.gz GAUPLTWVKQRAOU-FRRDWIJNSA-N 0 0 318.439 0.874 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C[C@H]1O ZINC000408090563 160033164 /nfs/dbraw/zinc/03/31/64/160033164.db2.gz RXVSPPRVVPNHRA-IINYFYTJSA-N 0 0 324.402 0.364 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@H]1O ZINC000408092017 160034130 /nfs/dbraw/zinc/03/41/30/160034130.db2.gz WVOYIGNZULUNGW-VXNVDRBHSA-N 0 0 305.787 0.709 10 0 DCAERN CC(C)[C@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408104919 160036317 /nfs/dbraw/zinc/03/63/17/160036317.db2.gz GDVGDQWEESFIKC-XQQFMLRXSA-N 0 0 320.455 0.727 10 0 DCAERN Cc1cc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)n(C)n1 ZINC000408105848 160037280 /nfs/dbraw/zinc/03/72/80/160037280.db2.gz QYOJHSSHJWZIPW-SECBINFHSA-N 0 0 301.372 0.013 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000408106347 160037331 /nfs/dbraw/zinc/03/73/31/160037331.db2.gz XJBISJTZWMISCW-GDBMZVCRSA-N 0 0 322.409 0.215 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408115771 160039747 /nfs/dbraw/zinc/03/97/47/160039747.db2.gz LZVDQRDSUSFTHU-INTQDDNPSA-N 0 0 314.363 0.078 10 0 DCAERN Cn1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)c1=O ZINC000408117949 160040495 /nfs/dbraw/zinc/04/04/95/160040495.db2.gz KEYZMKDQTIREGY-UHFFFAOYSA-N 0 0 317.389 0.858 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000408122434 160041904 /nfs/dbraw/zinc/04/19/04/160041904.db2.gz KDDSRDPFXUDPSR-JTQLQIEISA-N 0 0 315.399 0.058 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000408127052 160042797 /nfs/dbraw/zinc/04/27/97/160042797.db2.gz VDJNNHZDGBUKNX-QWRGUYRKSA-N 0 0 303.366 0.455 10 0 DCAERN C[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@H]1CO ZINC000408139091 160046077 /nfs/dbraw/zinc/04/60/77/160046077.db2.gz NXYROSAJBJLRNZ-YPMHNXCESA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000408142881 160046548 /nfs/dbraw/zinc/04/65/48/160046548.db2.gz RYEJCPYGFRHOGQ-NWDGAFQWSA-N 0 0 324.406 0.778 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(C(=O)N(C)C)CC2)C1 ZINC000408143775 160046640 /nfs/dbraw/zinc/04/66/40/160046640.db2.gz BZRKURTWVQHFEI-LBPRGKRZSA-N 0 0 309.410 0.618 10 0 DCAERN CCN(CC)C(=O)C1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000408144598 160047850 /nfs/dbraw/zinc/04/78/50/160047850.db2.gz BQFOQFQNXDZLIK-UHFFFAOYSA-N 0 0 305.444 0.810 10 0 DCAERN C[C@H]1CN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CCO1 ZINC000408148647 160048580 /nfs/dbraw/zinc/04/85/80/160048580.db2.gz HOPKWFLVETZTHL-UNXYVOJBSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000408156527 160049193 /nfs/dbraw/zinc/04/91/93/160049193.db2.gz ZIABCSVZPVTPGM-LLVKDONJSA-N 0 0 313.427 0.561 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)C1 ZINC000408162960 160050405 /nfs/dbraw/zinc/05/04/05/160050405.db2.gz AKSJQPSJTAFFBQ-UTUOFQBUSA-N 0 0 303.428 0.549 10 0 DCAERN CSC1(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CCOCC1 ZINC000408166023 160051133 /nfs/dbraw/zinc/05/11/33/160051133.db2.gz OZEHREXSEDWRGV-QWRGUYRKSA-N 0 0 300.424 0.930 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cs1 ZINC000408170766 160052140 /nfs/dbraw/zinc/05/21/40/160052140.db2.gz XUIVYQBTXIHIRV-UWVGGRQHSA-N 0 0 319.452 0.938 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N3CCC[C@@H](O)C3)CCC(=O)N2C)cn1 ZINC000408174233 160052896 /nfs/dbraw/zinc/05/28/96/160052896.db2.gz QKFAQUTZQDLDJC-IPYPFGDCSA-N 0 0 320.393 0.313 10 0 DCAERN COc1cc(C)nc(N2CCC[C@H]2C(=O)N2CCN(C)CC2)n1 ZINC000408181162 160054280 /nfs/dbraw/zinc/05/42/80/160054280.db2.gz AAFSFPRELISKMC-ZDUSSCGKSA-N 0 0 319.409 0.536 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000408186447 160055471 /nfs/dbraw/zinc/05/54/71/160055471.db2.gz HZVUCBBCFSASBN-GHMZBOCLSA-N 0 0 302.396 0.238 10 0 DCAERN Cc1oc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1S(N)(=O)=O ZINC000408189331 160056210 /nfs/dbraw/zinc/05/62/10/160056210.db2.gz WNKDJCYKRBRQGM-AEJSXWLSSA-N 0 0 314.363 0.078 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)CC1 ZINC000408198473 160057576 /nfs/dbraw/zinc/05/75/76/160057576.db2.gz SMXVLWRDIJQSRP-RYUDHWBXSA-N 0 0 310.398 0.165 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)CCC1=O ZINC000408203767 160059238 /nfs/dbraw/zinc/05/92/38/160059238.db2.gz RUJNGKQHXBUONF-LBPRGKRZSA-N 0 0 310.375 0.616 10 0 DCAERN CC(C)(C)C(=O)N1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408206888 160059903 /nfs/dbraw/zinc/05/99/03/160059903.db2.gz PYKDNWIYEUTKMD-UHFFFAOYSA-N 0 0 317.455 0.954 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408206986 160060356 /nfs/dbraw/zinc/06/03/56/160060356.db2.gz VAPAYTUTSHKXIH-STQMWFEESA-N 0 0 324.425 0.540 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CC[S@](=O)[C@@H](C)C3)nc12 ZINC000408211646 160061087 /nfs/dbraw/zinc/06/10/87/160061087.db2.gz QGPOBYIEFQJTFB-QKVFXAPYSA-N 0 0 305.403 0.956 10 0 DCAERN CN(CC(=O)N1CCCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000408220818 160063224 /nfs/dbraw/zinc/06/32/24/160063224.db2.gz ZTKWFORPMHWFBK-ZDUSSCGKSA-N 0 0 302.440 0.756 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N(CCO)[C@H]1CCCSC1 ZINC000408224744 160063560 /nfs/dbraw/zinc/06/35/60/160063560.db2.gz HZPNAMSSERZELK-RYUDHWBXSA-N 0 0 309.453 0.685 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCc2cscn2)C[C@H](C)O1 ZINC000408224972 160064199 /nfs/dbraw/zinc/06/41/99/160064199.db2.gz IVVYEHKELDROFP-UWVGGRQHSA-N 0 0 305.425 0.629 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1(F)F ZINC000408230465 160064721 /nfs/dbraw/zinc/06/47/21/160064721.db2.gz GVCBQFIDRMWZGZ-BXKDBHETSA-N 0 0 322.319 0.674 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408236095 160066398 /nfs/dbraw/zinc/06/63/98/160066398.db2.gz NDJWXBBNCADUKC-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CCn3ccnc3C2)c1C ZINC000408235012 160066453 /nfs/dbraw/zinc/06/64/53/160066453.db2.gz GSEFRTKOGRBGRG-UHFFFAOYSA-N 0 0 309.395 0.921 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000408238841 160066714 /nfs/dbraw/zinc/06/67/14/160066714.db2.gz UQDKTNLJAHNLNT-MNOVXSKESA-N 0 0 314.411 0.739 10 0 DCAERN CNS(=O)(=O)NC1CCN(Cc2nc(C)sc2C)CC1 ZINC000408241221 160067574 /nfs/dbraw/zinc/06/75/74/160067574.db2.gz IHRSAJGGGRRJNN-UHFFFAOYSA-N 0 0 318.468 0.778 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CC1CCOCC1 ZINC000408242758 160067808 /nfs/dbraw/zinc/06/78/08/160067808.db2.gz XWOVHCCLMKHIGW-OLZOCXBDSA-N 0 0 318.439 0.780 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000408247647 160069381 /nfs/dbraw/zinc/06/93/81/160069381.db2.gz PMVQHQMLLOOXCA-SNVBAGLBSA-N 0 0 301.416 0.437 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000408254334 160070522 /nfs/dbraw/zinc/07/05/22/160070522.db2.gz MGYPCFQPGVTQNS-XVSSEFHLSA-N 0 0 318.439 0.802 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000408261635 160071447 /nfs/dbraw/zinc/07/14/47/160071447.db2.gz RYASREKJMHATFV-ZDUSSCGKSA-N 0 0 317.393 0.582 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000408265798 160071970 /nfs/dbraw/zinc/07/19/70/160071970.db2.gz UIDKXOUUHCIEGC-SNVBAGLBSA-N 0 0 315.395 0.298 10 0 DCAERN CC1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000408263119 160072025 /nfs/dbraw/zinc/07/20/25/160072025.db2.gz BJTFOWNWFWFCHZ-UHFFFAOYSA-N 0 0 324.402 0.799 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnn2CC(F)F)CCS1(=O)=O ZINC000408268400 160072971 /nfs/dbraw/zinc/07/29/71/160072971.db2.gz MRPWVGSKWHJGEG-QMMMGPOBSA-N 0 0 307.322 0.407 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H](CO)O1 ZINC000408280334 160075335 /nfs/dbraw/zinc/07/53/35/160075335.db2.gz ORIDABAAHJPEJG-NXEZZACHSA-N 0 0 306.318 0.239 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000408286684 160076575 /nfs/dbraw/zinc/07/65/75/160076575.db2.gz MZIBBCAECXMGKF-NWDGAFQWSA-N 0 0 320.411 0.273 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000408299585 160080054 /nfs/dbraw/zinc/08/00/54/160080054.db2.gz CZMDVUQMUYJDOB-JTNHKYCSSA-N 0 0 300.424 0.965 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H]3CCSC3)C2)n[nH]1 ZINC000408305373 160080696 /nfs/dbraw/zinc/08/06/96/160080696.db2.gz JJCFXUNHWKEGRY-VHSXEESVSA-N 0 0 308.407 0.968 10 0 DCAERN CC(=O)NCC1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408307427 160081451 /nfs/dbraw/zinc/08/14/51/160081451.db2.gz GMXDYMPZGKTRMT-UHFFFAOYSA-N 0 0 302.318 0.727 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[S@](=O)C2)C1 ZINC000408307978 160081613 /nfs/dbraw/zinc/08/16/13/160081613.db2.gz GOJVZJPBVYGLTB-CDUAGXKNSA-N 0 0 320.480 0.886 10 0 DCAERN O=C(N[C@H]1CC[S@@](=O)C1)N1CCN(Cc2ccco2)CC1 ZINC000408306472 160081747 /nfs/dbraw/zinc/08/17/47/160081747.db2.gz ACUPGFZBBFDPIE-LAJNKCICSA-N 0 0 311.407 0.628 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[S@](=O)C2)C1 ZINC000408306532 160081790 /nfs/dbraw/zinc/08/17/90/160081790.db2.gz AFVUDAVVMKHRQY-NLQQUQSOSA-N 0 0 301.412 0.208 10 0 DCAERN COCCCCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000408308098 160081792 /nfs/dbraw/zinc/08/17/92/160081792.db2.gz IIDCDUWKSDUIMC-QWRGUYRKSA-N 0 0 313.441 0.250 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)O1 ZINC000408320075 160083815 /nfs/dbraw/zinc/08/38/15/160083815.db2.gz JRCVTPLNWSTZAF-NRUUGDAUSA-N 0 0 306.366 0.782 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)CCO2)n1 ZINC000408318152 160083817 /nfs/dbraw/zinc/08/38/17/160083817.db2.gz IGPSBTSDVDDSGV-DDTOSNHZSA-N 0 0 308.382 0.690 10 0 DCAERN CC[C@H]1CN(C(=O)C2(O)CCOCC2)CCN1CC(F)F ZINC000408320430 160084044 /nfs/dbraw/zinc/08/40/44/160084044.db2.gz OJERXFAFSNWGMS-NSHDSACASA-N 0 0 306.353 0.716 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C2(O)CCOCC2)C1 ZINC000408321410 160084614 /nfs/dbraw/zinc/08/46/14/160084614.db2.gz PEYWKLSTOAEVJE-QWHCGFSZSA-N 0 0 312.410 0.728 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000408322457 160084628 /nfs/dbraw/zinc/08/46/28/160084628.db2.gz YYACVBCKBKFSQA-CYBMUJFWSA-N 0 0 305.378 0.736 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CCC[C@@H]1CCO)C2 ZINC000408324235 160085355 /nfs/dbraw/zinc/08/53/55/160085355.db2.gz JTSMCDXGMWGJSB-YPMHNXCESA-N 0 0 320.393 0.399 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@]2(CCOC2)O1 ZINC000408326533 160085627 /nfs/dbraw/zinc/08/56/27/160085627.db2.gz NEHIFGQCLMCHCP-ZUZCIYMTSA-N 0 0 307.350 0.144 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)O1 ZINC000408337574 160087503 /nfs/dbraw/zinc/08/75/03/160087503.db2.gz CKOFIXCMZVWDHF-WOPDTQHZSA-N 0 0 306.366 0.599 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408349052 160089823 /nfs/dbraw/zinc/08/98/23/160089823.db2.gz GNVBTDMQPWPSNE-LRDDRELGSA-N 0 0 315.377 0.820 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000408353930 160090179 /nfs/dbraw/zinc/09/01/79/160090179.db2.gz FHNAFNOTPAHSCX-SDDRHHMPSA-N 0 0 310.398 0.339 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408353877 160090479 /nfs/dbraw/zinc/09/04/79/160090479.db2.gz DZEUDHMIZMQPPG-CMPLNLGQSA-N 0 0 315.381 0.974 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCN(C(C)=O)C1)CC2 ZINC000408354602 160090872 /nfs/dbraw/zinc/09/08/72/160090872.db2.gz LWHNOFHFYOSRFS-OLZOCXBDSA-N 0 0 308.378 0.657 10 0 DCAERN CCCNS(=O)(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000408362129 160092514 /nfs/dbraw/zinc/09/25/14/160092514.db2.gz LUAOJYMYLAQDGY-VXGBXAGGSA-N 0 0 306.428 0.795 10 0 DCAERN O=C(CN1CCO[C@@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000408369101 160093998 /nfs/dbraw/zinc/09/39/98/160093998.db2.gz RJNDCMHKVOCLMA-GHMZBOCLSA-N 0 0 310.316 0.480 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000408374521 160094393 /nfs/dbraw/zinc/09/43/93/160094393.db2.gz LRKHHFUFAILQGT-KGLIPLIRSA-N 0 0 307.398 0.217 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@H]3C[C@H](O)C3(C)C)nc2n1 ZINC000408374501 160094490 /nfs/dbraw/zinc/09/44/90/160094490.db2.gz LJRYSZZHLDUXOR-QWRGUYRKSA-N 0 0 303.366 0.559 10 0 DCAERN CCC1(CC)CN(C(=O)c2nccnc2N)CCS1(=O)=O ZINC000408372847 160094524 /nfs/dbraw/zinc/09/45/24/160094524.db2.gz BIMQTKHYWBGMRZ-UHFFFAOYSA-N 0 0 312.395 0.488 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408375554 160095294 /nfs/dbraw/zinc/09/52/94/160095294.db2.gz SWILPWPKDWFRLW-STQMWFEESA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CC1=O ZINC000408380892 160096139 /nfs/dbraw/zinc/09/61/39/160096139.db2.gz DQQGAJFIYQPGTN-VXGBXAGGSA-N 0 0 320.397 0.703 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000408394196 160099226 /nfs/dbraw/zinc/09/92/26/160099226.db2.gz ISIRAUDUZWKXHM-UTUOFQBUSA-N 0 0 304.412 0.483 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408392811 160099272 /nfs/dbraw/zinc/09/92/72/160099272.db2.gz DAQKPWWNMKLYMQ-MRXNPFEDSA-N 0 0 301.346 0.398 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC2CC(C)C2)C1 ZINC000408392710 160099332 /nfs/dbraw/zinc/09/93/32/160099332.db2.gz JDYHMDVFQLYPNH-MCIGGMRASA-N 0 0 303.428 0.897 10 0 DCAERN CN(C)C(=O)C1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000408395315 160099765 /nfs/dbraw/zinc/09/97/65/160099765.db2.gz UDUSHKDNLZKLNR-UHFFFAOYSA-N 0 0 319.409 0.618 10 0 DCAERN C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408395882 160099859 /nfs/dbraw/zinc/09/98/59/160099859.db2.gz RMNNDVGXOIZSCJ-KGLIPLIRSA-N 0 0 319.471 0.616 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)c2cc3c(cc2O)CCCC3)C1 ZINC000408410246 160102688 /nfs/dbraw/zinc/10/26/88/160102688.db2.gz MIFUJBFNJBUSKQ-LBPRGKRZSA-N 0 0 324.402 0.774 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000408418967 160104515 /nfs/dbraw/zinc/10/45/15/160104515.db2.gz FMRAEZXJCIZMIX-NWDGAFQWSA-N 0 0 320.397 0.813 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](C)[C@H]3CO)cnc12 ZINC000408427024 160105985 /nfs/dbraw/zinc/10/59/85/160105985.db2.gz MGWKEVTVBWQWOI-ZWNOBZJWSA-N 0 0 301.346 0.846 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408430198 160106921 /nfs/dbraw/zinc/10/69/21/160106921.db2.gz QJKGKLGMLAFTQB-VXGBXAGGSA-N 0 0 306.428 0.577 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000408434877 160107784 /nfs/dbraw/zinc/10/77/84/160107784.db2.gz JJERHYQXJZNLGN-SRVKXCTJSA-N 0 0 323.397 0.672 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000408434875 160107818 /nfs/dbraw/zinc/10/78/18/160107818.db2.gz JJERHYQXJZNLGN-SDDRHHMPSA-N 0 0 323.397 0.672 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000408434874 160107845 /nfs/dbraw/zinc/10/78/45/160107845.db2.gz JJERHYQXJZNLGN-GRYCIOLGSA-N 0 0 323.397 0.672 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2CCc3ccccc3C2=O)C[C@H]1O ZINC000408448629 160109862 /nfs/dbraw/zinc/10/98/62/160109862.db2.gz YMZJIWFQYNEVDB-IUODEOHRSA-N 0 0 302.374 0.914 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N(C)CCN2CCOC(C)(C)C2)CC(=O)N1 ZINC000408449488 160109902 /nfs/dbraw/zinc/10/99/02/160109902.db2.gz GNHQFNVKJASEEK-OLZOCXBDSA-N 0 0 311.426 0.470 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000408454909 160111890 /nfs/dbraw/zinc/11/18/90/160111890.db2.gz WOPMUNCYFZRVLZ-IJLUTSLNSA-N 0 0 303.428 0.515 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)C2(COC)CC2)CC(C)(C)O1 ZINC000408459531 160112495 /nfs/dbraw/zinc/11/24/95/160112495.db2.gz ISIOMSHKIQZMSS-LLVKDONJSA-N 0 0 307.412 0.621 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC(=O)N1 ZINC000408464044 160113557 /nfs/dbraw/zinc/11/35/57/160113557.db2.gz HHSQIIKYSZLDIU-SNVBAGLBSA-N 0 0 319.336 0.913 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000408464394 160113599 /nfs/dbraw/zinc/11/35/99/160113599.db2.gz GCFMOASQIFRWFZ-GZMMTYOYSA-N 0 0 309.288 0.316 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCOc3ccc(Cl)cc32)CC(=O)N1 ZINC000408465480 160114149 /nfs/dbraw/zinc/11/41/49/160114149.db2.gz KIZPCDCETZXUTP-JTQLQIEISA-N 0 0 323.780 0.886 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408466571 160114732 /nfs/dbraw/zinc/11/47/32/160114732.db2.gz MLPRTEZXWXRRNU-VXGBXAGGSA-N 0 0 323.393 0.470 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1O ZINC000408471480 160115337 /nfs/dbraw/zinc/11/53/37/160115337.db2.gz YSJRUSBQDJJRFR-CHWSQXEVSA-N 0 0 302.330 0.945 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCC[C@@H]2C)n1 ZINC000408473063 160115417 /nfs/dbraw/zinc/11/54/17/160115417.db2.gz YNQNAXDYBKRIIQ-CYZMBNFOSA-N 0 0 308.382 0.887 10 0 DCAERN Cc1nnc([C@H](C)N2CC(S(=O)(=O)NC3CCCC3)C2)[nH]1 ZINC000408471083 160115502 /nfs/dbraw/zinc/11/55/02/160115502.db2.gz XUCDSKDQJCYIBB-VIFPVBQESA-N 0 0 313.427 0.720 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1=O ZINC000408473648 160116522 /nfs/dbraw/zinc/11/65/22/160116522.db2.gz FYUCUJRXWQZZHC-CHWSQXEVSA-N 0 0 302.378 0.802 10 0 DCAERN C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCO1 ZINC000079235090 286923835 /nfs/dbraw/zinc/92/38/35/286923835.db2.gz BKGQYOIFLDNMDE-STQMWFEESA-N 0 0 312.414 0.017 10 0 DCAERN CC(=O)NCCCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000091598621 286936234 /nfs/dbraw/zinc/93/62/34/286936234.db2.gz NUGSEDYBQAHYIH-UHFFFAOYSA-N 0 0 309.414 0.795 10 0 DCAERN CC[C@@H]1CN(C(=O)NCc2ncn(C)n2)CCN1CC(F)F ZINC000091791674 286936705 /nfs/dbraw/zinc/93/67/05/286936705.db2.gz WVAVDNOPLQTHRH-SNVBAGLBSA-N 0 0 316.356 0.686 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)c1cc(C(N)=O)cn1C ZINC000120417571 286951682 /nfs/dbraw/zinc/95/16/82/286951682.db2.gz GQKCBLCDDPLKMN-UHFFFAOYSA-N 0 0 303.366 0.907 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C(N)=O)cn1C ZINC000120554754 286951952 /nfs/dbraw/zinc/95/19/52/286951952.db2.gz ZYTXGDRIXXUWQR-VIFPVBQESA-N 0 0 317.393 0.835 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000121517539 286955503 /nfs/dbraw/zinc/95/55/03/286955503.db2.gz WLVDCHCQCQPFNA-UHFFFAOYSA-N 0 0 317.374 0.808 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000124218042 286962856 /nfs/dbraw/zinc/96/28/56/286962856.db2.gz HBOMXECNXNMEMU-APPZFPTMSA-N 0 0 310.379 0.502 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H]2C)n(C)n1 ZINC000127798686 286979184 /nfs/dbraw/zinc/97/91/84/286979184.db2.gz XQGSUQYXNKBZHF-MNOVXSKESA-N 0 0 308.382 0.804 10 0 DCAERN CCCCSCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128052335 286980688 /nfs/dbraw/zinc/98/06/88/286980688.db2.gz AHRNNMKUQLKQGN-ZDUSSCGKSA-N 0 0 304.456 0.719 10 0 DCAERN C[C@@H](NC(=O)c1ccnnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000128914778 286985564 /nfs/dbraw/zinc/98/55/64/286985564.db2.gz CZVHNOQFJVWWBA-SECBINFHSA-N 0 0 306.347 0.615 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CCN(C(=O)CO)CC1 ZINC000129434033 286988030 /nfs/dbraw/zinc/98/80/30/286988030.db2.gz DVVGJVWVLQJJLO-UHFFFAOYSA-N 0 0 320.389 0.681 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCCC(=O)NC1CC1 ZINC000131286176 286999346 /nfs/dbraw/zinc/99/93/46/286999346.db2.gz KCTDGLSOXNOTQO-ZDUSSCGKSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@H](C)[C@H](C)CO)n2)cc1 ZINC000131931872 287002967 /nfs/dbraw/zinc/00/29/67/287002967.db2.gz ZUFMCUQYMKQNLY-VXGBXAGGSA-N 0 0 303.366 0.782 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000132224468 287004586 /nfs/dbraw/zinc/00/45/86/287004586.db2.gz JUQODMIRWGYLQF-NEPJUHHUSA-N 0 0 324.425 0.779 10 0 DCAERN CN(C)C(=O)C1(CNc2cncc(OCCO)n2)CCCC1 ZINC000132734492 287006625 /nfs/dbraw/zinc/00/66/25/287006625.db2.gz WLXSZKKZVZFNMJ-UHFFFAOYSA-N 0 0 308.382 0.908 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCc1ccccn1 ZINC000133033596 287008798 /nfs/dbraw/zinc/00/87/98/287008798.db2.gz DGCJKDBDMADHCV-UHFFFAOYSA-N 0 0 301.350 0.986 10 0 DCAERN CC(=O)c1cn(Cc2nc(-c3ccoc3)no2)c(=O)n(C)c1=O ZINC000134550887 287017196 /nfs/dbraw/zinc/01/71/96/287017196.db2.gz MAJMYQWLOCTPRT-UHFFFAOYSA-N 0 0 316.273 0.441 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000135610030 287023842 /nfs/dbraw/zinc/02/38/42/287023842.db2.gz OPZVHAQEALSGPB-STQMWFEESA-N 0 0 306.428 0.148 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000137213523 287028132 /nfs/dbraw/zinc/02/81/32/287028132.db2.gz IIMLDWVRDUZFRT-VIFPVBQESA-N 0 0 303.366 0.958 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000152785052 287044197 /nfs/dbraw/zinc/04/41/97/287044197.db2.gz NUGMSRULOWNLDB-NSHDSACASA-N 0 0 321.381 0.216 10 0 DCAERN C[C@H](CNC(=O)N[C@@H](CCO)c1ccco1)N1CCOCC1 ZINC000187122235 287058656 /nfs/dbraw/zinc/05/86/56/287058656.db2.gz MKXXPSWPHDPACH-OLZOCXBDSA-N 0 0 311.382 0.723 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000245868034 287073874 /nfs/dbraw/zinc/07/38/74/287073874.db2.gz KHBPTHDWNSFUPL-IWSPIJDZSA-N 0 0 320.333 0.195 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H](C)O1 ZINC000245960357 287074785 /nfs/dbraw/zinc/07/47/85/287074785.db2.gz DGIPBMQBPCUYHW-NDKCEZKHSA-N 0 0 312.410 0.942 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000246092262 287076643 /nfs/dbraw/zinc/07/66/43/287076643.db2.gz KBNWQCSLQXOZAA-IHRRRGAJSA-N 0 0 320.455 0.272 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000246103595 287076952 /nfs/dbraw/zinc/07/69/52/287076952.db2.gz MZTDCCKOZCKPIK-OLZOCXBDSA-N 0 0 307.460 0.350 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000246204955 287079180 /nfs/dbraw/zinc/07/91/80/287079180.db2.gz QQBNSKASRNYLCL-RDBSUJKOSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)C[C@H](C)O1 ZINC000246226336 287079671 /nfs/dbraw/zinc/07/96/71/287079671.db2.gz HIRGPNYCXKTOEN-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)cn1C ZINC000246546396 287085195 /nfs/dbraw/zinc/08/51/95/287085195.db2.gz AVXHUFVJKQZSBN-MNOVXSKESA-N 0 0 317.436 0.624 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCO[C@H]2CCOC2)C1 ZINC000246326330 287081645 /nfs/dbraw/zinc/08/16/45/287081645.db2.gz FYESFXKCGWWTNE-STQMWFEESA-N 0 0 306.428 0.748 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO ZINC000248860358 287102242 /nfs/dbraw/zinc/10/22/42/287102242.db2.gz XDJDEWIETGIHCP-OUAUKWLOSA-N 0 0 308.382 0.926 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000248933248 287103479 /nfs/dbraw/zinc/10/34/79/287103479.db2.gz MWAGMAOVAOHCQU-SRVKXCTJSA-N 0 0 304.412 0.471 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000249112231 287106373 /nfs/dbraw/zinc/10/63/73/287106373.db2.gz CEEMAZSKRXILJD-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249286730 287108642 /nfs/dbraw/zinc/10/86/42/287108642.db2.gz ISSQSOVLOHFGEP-SDDRHHMPSA-N 0 0 316.423 0.040 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H](CO)[C@@H](O)C1)C(C)C ZINC000249555421 287113901 /nfs/dbraw/zinc/11/39/01/287113901.db2.gz LVNMLNWEQONOIB-YDHLFZDLSA-N 0 0 314.426 0.375 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CCO)[C@@H](C)C1 ZINC000249576272 287114431 /nfs/dbraw/zinc/11/44/31/287114431.db2.gz PPWNRGPDKJCYRY-FZKCQIBNSA-N 0 0 311.470 0.878 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000249735550 287117760 /nfs/dbraw/zinc/11/77/60/287117760.db2.gz FBZQOWIPSDOKIH-LDYMZIIASA-N 0 0 314.411 0.311 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249870995 287118431 /nfs/dbraw/zinc/11/84/31/287118431.db2.gz GEVYPRRIOMMKST-KBPBESRZSA-N 0 0 311.426 0.303 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@H](O)C2(C)C)[C@@H]1c1cccnc1 ZINC000250131362 287118714 /nfs/dbraw/zinc/11/87/14/287118714.db2.gz XETLDWYMCCAEKP-XFMPKHEZSA-N 0 0 317.389 0.877 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@@H]1C ZINC000249973946 287118766 /nfs/dbraw/zinc/11/87/66/287118766.db2.gz XVTSSIDYSLEJOT-JOYOIKCWSA-N 0 0 315.395 0.170 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1=O ZINC000189062301 292526690 /nfs/dbraw/zinc/52/66/90/292526690.db2.gz RUWSROWTHQBWAL-VIFPVBQESA-N 0 0 309.193 0.888 10 0 DCAERN CC[C@@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CC[N@@H+]1CCOC ZINC000108867454 287200391 /nfs/dbraw/zinc/20/03/91/287200391.db2.gz RIWXXDUGBQBNAW-CQSZACIVSA-N 0 0 319.409 0.565 10 0 DCAERN CC(C)Cn1ccnc1NC(=O)CN1CCCS1(=O)=O ZINC000064659605 412329813 /nfs/dbraw/zinc/32/98/13/412329813.db2.gz ROTBBKLGLRDXRH-UHFFFAOYSA-N 0 0 300.384 0.513 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177878022 298861126 /nfs/dbraw/zinc/86/11/26/298861126.db2.gz TWHXYGDVJAWDHS-YRGRVCCFSA-N 0 0 318.439 0.756 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000542436582 412291009 /nfs/dbraw/zinc/29/10/09/412291009.db2.gz CWVDVYIBXUEIHZ-LLVKDONJSA-N 0 0 324.385 0.402 10 0 DCAERN COc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)nn1C ZINC000519866777 412434957 /nfs/dbraw/zinc/43/49/57/412434957.db2.gz RTVJYZJTNMFSKP-NSHDSACASA-N 0 0 311.386 0.397 10 0 DCAERN CC[C@@H](C(=O)N1CCOCC1)n1cnc2onc(C)c2c1=O ZINC000021088806 415153987 /nfs/dbraw/zinc/15/39/87/415153987.db2.gz IVNDTZZMVBPCCW-JTQLQIEISA-N 0 0 306.322 0.503 10 0 DCAERN CCCn1nccc1NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043720675 415215925 /nfs/dbraw/zinc/21/59/25/415215925.db2.gz ZZAJGDYIIWOURN-SNVBAGLBSA-N 0 0 300.384 0.944 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@@H]1CCCO1 ZINC000044317323 415219302 /nfs/dbraw/zinc/21/93/02/415219302.db2.gz JGMRGPULJWNCGU-NSHDSACASA-N 0 0 312.391 0.941 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC000043945008 415219313 /nfs/dbraw/zinc/21/93/13/415219313.db2.gz SXLMNFIQOFUPNH-NSHDSACASA-N 0 0 318.377 0.839 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1NC(C)=O ZINC000044963787 415237868 /nfs/dbraw/zinc/23/78/68/415237868.db2.gz XCDVOAZVARITEI-SDSMMKDESA-N 0 0 323.345 0.338 10 0 in-vitro DCAERN CC(C)(C)OC[C@H](O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000046055252 415256530 /nfs/dbraw/zinc/25/65/30/415256530.db2.gz PCVGUPGJAJOHOW-GFCCVEGCSA-N 0 0 308.444 0.130 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC(=O)OCC ZINC000044569959 415222023 /nfs/dbraw/zinc/22/20/23/415222023.db2.gz QSUXYJPKIDZJTF-LLVKDONJSA-N 0 0 320.411 0.260 10 0 DCAERN O=C1[C@H]2COCCN2C(=O)N1[C@@H]1CCCN(c2ncccn2)C1 ZINC000272369288 415287479 /nfs/dbraw/zinc/28/74/79/415287479.db2.gz ZSVAEHHHXATQQQ-VXGBXAGGSA-N 0 0 317.349 0.108 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(C)no1 ZINC000050353830 415314412 /nfs/dbraw/zinc/31/44/12/415314412.db2.gz ABWFHCRXILIUAZ-GFCCVEGCSA-N 0 0 315.395 0.803 10 0 DCAERN Cc1nccc(N2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)n1 ZINC000274176789 415331412 /nfs/dbraw/zinc/33/14/12/415331412.db2.gz JCCWKIDZZYDUBI-AAEUAGOBSA-N 0 0 305.382 0.794 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N(C)CC1(CO)CC1 ZINC000275953561 415399256 /nfs/dbraw/zinc/39/92/56/415399256.db2.gz YXGBZSNPJWTHIS-UHFFFAOYSA-N 0 0 303.366 0.759 10 0 DCAERN Cc1ccc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 ZINC000073761072 415424261 /nfs/dbraw/zinc/42/42/61/415424261.db2.gz PDNYSTFDNSMMQE-UHFFFAOYSA-N 0 0 303.362 0.984 10 0 DCAERN COc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nn1C ZINC000274708511 415362099 /nfs/dbraw/zinc/36/20/99/415362099.db2.gz SQUWAXCBGLDZCP-DGCLKSJQSA-N 0 0 308.382 0.221 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnns1 ZINC000067199722 415375370 /nfs/dbraw/zinc/37/53/70/415375370.db2.gz CLTXJEDCOPQOCB-LLVKDONJSA-N 0 0 304.375 0.967 10 0 DCAERN C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)(C)C ZINC000067541918 415377872 /nfs/dbraw/zinc/37/78/72/415377872.db2.gz HADUYPYZCCQHBZ-VIFPVBQESA-N 0 0 316.361 0.956 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000067622875 415378395 /nfs/dbraw/zinc/37/83/95/415378395.db2.gz WEBCMHAAFDRBHZ-CYBMUJFWSA-N 0 0 305.378 0.858 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067717248 415383352 /nfs/dbraw/zinc/38/33/52/415383352.db2.gz CXEALANHKBENBG-TXEJJXNPSA-N 0 0 316.427 0.596 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)N2CCN(C3CC3)CC2)CC1 ZINC000083988082 415493603 /nfs/dbraw/zinc/49/36/03/415493603.db2.gz SKGBXRDXPMRORM-UHFFFAOYSA-N 0 0 316.423 0.440 10 0 DCAERN Cc1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)n(C)n1 ZINC000276252296 415459278 /nfs/dbraw/zinc/45/92/78/415459278.db2.gz FVQXTYQMNSUHHV-CQSZACIVSA-N 0 0 306.410 0.911 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1=O ZINC000332754375 415464870 /nfs/dbraw/zinc/46/48/70/415464870.db2.gz JPEXFKQLDIUSCY-MGPQQGTHSA-N 0 0 324.425 0.110 10 0 DCAERN c1cn(Cc2ccccc2)nc1CNc1ccc2nnnn2n1 ZINC000343139866 415469172 /nfs/dbraw/zinc/46/91/72/415469172.db2.gz HGKNGSJRTJYPPF-UHFFFAOYSA-N 0 0 306.333 1.376 10 0 DCAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)NC(CO)CO)cc1 ZINC000086430652 415507300 /nfs/dbraw/zinc/50/73/00/415507300.db2.gz GBJKMIPJRJFYMS-NSHDSACASA-N 0 0 318.377 0.894 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CCS1(=O)=O ZINC000278898895 415509954 /nfs/dbraw/zinc/50/99/54/415509954.db2.gz YFWZVUTZONYQFD-ZETCQYMHSA-N 0 0 312.326 0.356 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC1(C)C ZINC000087293831 415511885 /nfs/dbraw/zinc/51/18/85/415511885.db2.gz AGWGBLUZUIHSGI-SNVBAGLBSA-N 0 0 314.411 0.488 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](C3CC3)C1)CC2 ZINC000332981804 415518959 /nfs/dbraw/zinc/51/89/59/415518959.db2.gz ORQGFUKOJBGQCS-QWHCGFSZSA-N 0 0 305.382 0.722 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000333020960 415533070 /nfs/dbraw/zinc/53/30/70/415533070.db2.gz IZBLJBWWFHQRRC-LSDHHAIUSA-N 0 0 303.362 0.554 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C)cc2F)C1 ZINC000091414179 415535595 /nfs/dbraw/zinc/53/55/95/415535595.db2.gz QGUDIPFMVYBZJY-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CC[C@@H]3CCOC3)CCO2)n1 ZINC000333048231 415541749 /nfs/dbraw/zinc/54/17/49/415541749.db2.gz PUIKHDBHYNMWIX-CABCVRRESA-N 0 0 322.409 0.939 10 0 DCAERN CC(=O)N1CC[C@]2(O)CCN(c3cc(CO)ncc3F)C[C@@H]2C1 ZINC000095356208 415551679 /nfs/dbraw/zinc/55/16/79/415551679.db2.gz SLXAKEXISWEMCS-LRDDRELGSA-N 0 0 323.368 0.523 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(CC[C@H](C)NC(C)=O)c1 ZINC000095935267 415564100 /nfs/dbraw/zinc/56/41/00/415564100.db2.gz JXLXNAVSIQMKLQ-VIFPVBQESA-N 0 0 300.380 0.800 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280193 415613741 /nfs/dbraw/zinc/61/37/41/415613741.db2.gz OOVWLBULNRCOLD-CYBMUJFWSA-N 0 0 322.390 0.753 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)ccc1F ZINC000103322900 415617521 /nfs/dbraw/zinc/61/75/21/415617521.db2.gz JSURBLWESNMYHK-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104783081 415625271 /nfs/dbraw/zinc/62/52/71/415625271.db2.gz BLZYLCQQERNZIG-ZDUSSCGKSA-N 0 0 307.398 0.277 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000333403889 415639225 /nfs/dbraw/zinc/63/92/25/415639225.db2.gz FUAWYRBQOSIUCW-GXTWGEPZSA-N 0 0 317.345 0.492 10 0 DCAERN C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000333443872 415651581 /nfs/dbraw/zinc/65/15/81/415651581.db2.gz QEQHBJCPTRJNJS-MJBXVCDLSA-N 0 0 320.455 0.536 10 0 DCAERN C[C@@H]1C[C@@H]1c1nnc2ccc(N[C@@H]3CCC(=O)N(C)C3=O)nn21 ZINC000333420100 415645308 /nfs/dbraw/zinc/64/53/08/415645308.db2.gz IYDAWICCDCESIO-KXUCPTDWSA-N 0 0 314.349 0.807 10 0 DCAERN O=C(CN1CCS(=O)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000111222248 415689811 /nfs/dbraw/zinc/68/98/11/415689811.db2.gz MTZAXLUCQWMUIF-CHWSQXEVSA-N 0 0 300.424 0.221 10 0 DCAERN O=C(c1csnn1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000111662385 415696378 /nfs/dbraw/zinc/69/63/78/415696378.db2.gz OYFDZCRMZRZQQF-JTQLQIEISA-N 0 0 312.420 0.718 10 0 DCAERN CC[C@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C1CC1 ZINC000333623014 415697277 /nfs/dbraw/zinc/69/72/77/415697277.db2.gz YUJKBBHNMBIPML-RYUDHWBXSA-N 0 0 300.424 0.649 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000113896921 415720362 /nfs/dbraw/zinc/72/03/62/415720362.db2.gz SROUXSTYXMGYCP-NSHDSACASA-N 0 0 305.338 0.357 10 0 DCAERN C[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2nccn21 ZINC000333620806 415699112 /nfs/dbraw/zinc/69/91/12/415699112.db2.gz UEMDAQOKOFOIBP-FIQHERPVSA-N 0 0 317.353 0.420 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)CCn3cncn3)CCO2)c1 ZINC000112060820 415700186 /nfs/dbraw/zinc/70/01/86/415700186.db2.gz KFOIKMIOLOJYBM-ZDUSSCGKSA-N 0 0 304.354 0.101 10 0 DCAERN CC(C)[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O ZINC000112177024 415706053 /nfs/dbraw/zinc/70/60/53/415706053.db2.gz GWBYAJOMJDVIQC-JTQLQIEISA-N 0 0 307.379 0.783 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1CCc3n[nH]cc3C1)c2O ZINC000119252383 415741833 /nfs/dbraw/zinc/74/18/33/415741833.db2.gz LDGONTZEYHPRCZ-SECBINFHSA-N 0 0 312.333 0.684 10 0 DCAERN CN(C)C(=O)[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333918515 415764451 /nfs/dbraw/zinc/76/44/51/415764451.db2.gz OHNVKIJSNIZMJB-VOAKCMCISA-N 0 0 300.424 0.915 10 0 DCAERN Cc1nc2[nH]ccc2c(N2CCC[C@H](N3CCNCC3=O)C2)n1 ZINC000333916218 415766375 /nfs/dbraw/zinc/76/63/75/415766375.db2.gz NECYCOMAVAYFIM-LBPRGKRZSA-N 0 0 314.393 0.667 10 0 DCAERN Cc1nccn1CC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000333959613 415772016 /nfs/dbraw/zinc/77/20/16/415772016.db2.gz KFRKKIUKQRDGFM-HNNXBMFYSA-N 0 0 306.410 0.761 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCCC2)CCN1C[C@@H](C)O ZINC000122673420 415835675 /nfs/dbraw/zinc/83/56/75/415835675.db2.gz DLFDCVSQBPUMRC-KGLIPLIRSA-N 0 0 319.471 0.494 10 0 DCAERN C[C@](O)(CO)CNc1ncc(I)cn1 ZINC000124414549 415849546 /nfs/dbraw/zinc/84/95/46/415849546.db2.gz MOXAPHGEYDNYHQ-MRVPVSSYSA-N 0 0 309.107 0.236 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121205133 415796353 /nfs/dbraw/zinc/79/63/53/415796353.db2.gz WSJAYPIIGNRXTF-GFCCVEGCSA-N 0 0 316.317 0.658 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC(Cn3ccnn3)CC2)CCC1=O ZINC000121271524 415801654 /nfs/dbraw/zinc/80/16/54/415801654.db2.gz SCBPXNAZXHWLKO-CYBMUJFWSA-N 0 0 320.397 0.321 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(C[S@@](C)=O)c2)C1 ZINC000121250805 415801931 /nfs/dbraw/zinc/80/19/31/415801931.db2.gz ZQCDHVNMXHTGQL-NRFANRHFSA-N 0 0 308.403 0.773 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000121453866 415802656 /nfs/dbraw/zinc/80/26/56/415802656.db2.gz NKMQXAYVBWHJSE-ZDUSSCGKSA-N 0 0 307.398 0.844 10 0 DCAERN COCCOc1cccc(CC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000121392858 415805073 /nfs/dbraw/zinc/80/50/73/415805073.db2.gz SDRLBVFSNGMASS-INIZCTEOSA-N 0 0 322.405 0.701 10 0 DCAERN Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)nn1C ZINC000121565444 415808128 /nfs/dbraw/zinc/80/81/28/415808128.db2.gz UBXNTWYWPPYEOP-UHFFFAOYSA-N 0 0 323.378 0.698 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCc2ccccc21 ZINC000124341800 415851240 /nfs/dbraw/zinc/85/12/40/415851240.db2.gz CIDWCGZKKIYYLT-ZDUSSCGKSA-N 0 0 303.362 0.385 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121746501 415817112 /nfs/dbraw/zinc/81/71/12/415817112.db2.gz QTDXPAIEGMHGDG-UWVGGRQHSA-N 0 0 314.363 0.043 10 0 DCAERN CC(C)NC(=O)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122039236 415822321 /nfs/dbraw/zinc/82/23/21/415822321.db2.gz FNNIRIRLLJTTNV-UHFFFAOYSA-N 0 0 307.398 0.829 10 0 DCAERN C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000125499443 415868164 /nfs/dbraw/zinc/86/81/64/415868164.db2.gz HJBWVUGKINZAMP-WDEREUQCSA-N 0 0 314.349 0.858 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)C[C@H](C)O1 ZINC000131782144 415929735 /nfs/dbraw/zinc/92/97/35/415929735.db2.gz FSALZXAJYVHSTP-VTXSZYRJSA-N 0 0 320.455 0.823 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N[C@]2(C(=O)OC)CCOC2)cc1 ZINC000296268079 415915911 /nfs/dbraw/zinc/91/59/11/415915911.db2.gz MDSKGALIZDBCMB-CQSZACIVSA-N 0 0 311.359 0.940 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000344152444 415852408 /nfs/dbraw/zinc/85/24/08/415852408.db2.gz LLNVCASUISLTTD-VMAXQDLPSA-N 0 0 313.304 0.519 10 0 DCAERN CN(C(=O)N[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000125323100 415865602 /nfs/dbraw/zinc/86/56/02/415865602.db2.gz QLYXTIKVVPAMCF-JQWIXIFHSA-N 0 0 310.375 0.949 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000134395339 415956546 /nfs/dbraw/zinc/95/65/46/415956546.db2.gz CWIKPOFYOZZPLH-MVWJERBFSA-N 0 0 307.354 0.002 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccccc1C(N)=O ZINC000344667892 415967267 /nfs/dbraw/zinc/96/72/67/415967267.db2.gz QYDMODJCGBBWEQ-UONOGXRCSA-N 0 0 320.389 0.980 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)[nH]n1 ZINC000152750818 415970496 /nfs/dbraw/zinc/97/04/96/415970496.db2.gz MRFIMXYVRXPVBN-MWLCHTKSSA-N 0 0 303.370 0.555 10 0 DCAERN Cc1ccc(CC(=O)NCCOCCS(C)(=O)=O)s1 ZINC000153186583 415976319 /nfs/dbraw/zinc/97/63/19/415976319.db2.gz PQRRMRSJOJNFCV-UHFFFAOYSA-N 0 0 305.421 0.776 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1n1ccnc1 ZINC000153283966 415978413 /nfs/dbraw/zinc/97/84/13/415978413.db2.gz LRBQRXNNDDUQCB-RBSFLKMASA-N 0 0 321.425 0.806 10 0 DCAERN O=C(Cc1cc(F)c(F)cc1F)N[C@@H]1CCC(=O)NC1=O ZINC000153269911 415979453 /nfs/dbraw/zinc/97/94/53/415979453.db2.gz VFOVZBOBWJGXAT-SNVBAGLBSA-N 0 0 300.236 0.568 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000153449804 415980670 /nfs/dbraw/zinc/98/06/70/415980670.db2.gz HQCZYCRHMNCZPV-UHFFFAOYSA-N 0 0 319.409 0.678 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)[C@]3(C)CCCO3)C2=O)n1 ZINC000153524462 415982535 /nfs/dbraw/zinc/98/25/35/415982535.db2.gz XAKMKFDQNOGTKH-ABAIWWIYSA-N 0 0 306.366 0.601 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000153951069 415989632 /nfs/dbraw/zinc/98/96/32/415989632.db2.gz ILSZNAVUJCVWET-KGLIPLIRSA-N 0 0 303.362 0.981 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000155049694 415992504 /nfs/dbraw/zinc/99/25/04/415992504.db2.gz ABFJNMXARITGBY-QWRGUYRKSA-N 0 0 321.381 0.244 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000155241245 415994990 /nfs/dbraw/zinc/99/49/90/415994990.db2.gz MGAGOZOPJPRFBD-ABAIWWIYSA-N 0 0 306.366 0.512 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1CCOCC1 ZINC000155285516 415997191 /nfs/dbraw/zinc/99/71/91/415997191.db2.gz ZWWRRVPMGYBIFI-GFCCVEGCSA-N 0 0 320.393 0.658 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000158578064 415998903 /nfs/dbraw/zinc/99/89/03/415998903.db2.gz OBGDJIXFMIRUAO-CYBMUJFWSA-N 0 0 321.425 0.762 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC[C@@H]1C ZINC000132340687 415932648 /nfs/dbraw/zinc/93/26/48/415932648.db2.gz GKUMCLCSOQSJMG-QWRGUYRKSA-N 0 0 303.366 0.635 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000132820893 415935603 /nfs/dbraw/zinc/93/56/03/415935603.db2.gz ZQVIQNXYYVKBAY-CHWSQXEVSA-N 0 0 309.366 0.618 10 0 DCAERN Cc1cnn(CCNC(=O)N(CCS(C)(=O)=O)C2CC2)c1 ZINC000132886074 415938678 /nfs/dbraw/zinc/93/86/78/415938678.db2.gz KFZFLVNTHFNAEV-UHFFFAOYSA-N 0 0 314.411 0.410 10 0 DCAERN COc1cccc(CS(=O)(=O)N(CC(N)=O)CC(C)C)c1 ZINC000171952268 416041625 /nfs/dbraw/zinc/04/16/25/416041625.db2.gz ROCQSUZZWPONTF-UHFFFAOYSA-N 0 0 314.407 0.968 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000172447013 416045671 /nfs/dbraw/zinc/04/56/71/416045671.db2.gz PGDRSOCISHRPJE-KBPBESRZSA-N 0 0 311.426 0.649 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000172439055 416046010 /nfs/dbraw/zinc/04/60/10/416046010.db2.gz DGICZGWEWHSOMZ-WCQYABFASA-N 0 0 324.425 0.779 10 0 DCAERN O=S(=O)(CC1CCOCC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000173173742 416054208 /nfs/dbraw/zinc/05/42/08/416054208.db2.gz LDQDHQNRMDREHX-AWEZNQCLSA-N 0 0 318.439 0.196 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cs1 ZINC000173212154 416055158 /nfs/dbraw/zinc/05/51/58/416055158.db2.gz WMTWABSVPCUEFX-ZJUUUORDSA-N 0 0 310.423 0.517 10 0 DCAERN Cc1nc(SCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000173291866 416056348 /nfs/dbraw/zinc/05/63/48/416056348.db2.gz WVVZXLXXYKDVCL-VHSXEESVSA-N 0 0 313.427 0.119 10 0 DCAERN Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cccnc3)C2)cn1 ZINC000173415396 416057618 /nfs/dbraw/zinc/05/76/18/416057618.db2.gz RSERBGACEKDDKV-LBPRGKRZSA-N 0 0 321.406 0.762 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CO)ncn1 ZINC000173418336 416059303 /nfs/dbraw/zinc/05/93/03/416059303.db2.gz XRIBONYLBXURSZ-GHMZBOCLSA-N 0 0 308.386 0.167 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173786396 416065071 /nfs/dbraw/zinc/06/50/71/416065071.db2.gz DCHPSLZETFNFMD-AWEZNQCLSA-N 0 0 318.377 0.724 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC000173980622 416070110 /nfs/dbraw/zinc/07/01/10/416070110.db2.gz HAXGQUWHZDMMDT-QMMMGPOBSA-N 0 0 321.312 0.402 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000174186524 416073475 /nfs/dbraw/zinc/07/34/75/416073475.db2.gz VPSKCWXYACXLSF-GFCCVEGCSA-N 0 0 303.370 0.894 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(n2cncn2)CC1 ZINC000174152594 416073928 /nfs/dbraw/zinc/07/39/28/416073928.db2.gz WJFCROKYHPPNMW-UHFFFAOYSA-N 0 0 304.358 0.252 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@H](C)CO ZINC000158821600 416003328 /nfs/dbraw/zinc/00/33/28/416003328.db2.gz AFEFFVAKKBAMLO-SFYZADRCSA-N 0 0 307.393 0.830 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000158899085 416005094 /nfs/dbraw/zinc/00/50/94/416005094.db2.gz RKKBMTSCBLNVPQ-QGZVFWFLSA-N 0 0 313.357 0.688 10 0 DCAERN CCNC(=O)CC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000356934957 416008367 /nfs/dbraw/zinc/00/83/67/416008367.db2.gz MTWBATUEZUFXEM-UHFFFAOYSA-N 0 0 306.366 0.061 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCC[C@H](n3cccn3)C2)s1 ZINC000301193465 416078633 /nfs/dbraw/zinc/07/86/33/416078633.db2.gz SPVKTFLQJHRYFA-VIFPVBQESA-N 0 0 313.408 0.829 10 0 DCAERN CCCN(CCO)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000164407420 416016423 /nfs/dbraw/zinc/01/64/23/416016423.db2.gz HTWJNLKSOUOVLC-UHFFFAOYSA-N 0 0 323.397 0.953 10 0 DCAERN O=C(NCc1ccnc(OC(F)F)c1)C1(O)CCOCC1 ZINC000356991127 416016915 /nfs/dbraw/zinc/01/69/15/416016915.db2.gz VGPGZCMPGCTTLJ-UHFFFAOYSA-N 0 0 302.277 0.841 10 0 DCAERN COc1cncc(N2CCN(c3ncnc4n[nH]cc43)CC2)n1 ZINC000301316216 416082342 /nfs/dbraw/zinc/08/23/42/416082342.db2.gz NIUBNMIVBKUHCW-UHFFFAOYSA-N 0 0 312.337 0.478 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000174790323 416087666 /nfs/dbraw/zinc/08/76/66/416087666.db2.gz JEXVZDBAHCDGSZ-CABCVRRESA-N 0 0 322.453 0.284 10 0 DCAERN NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cccc(O)c2)c1 ZINC000357494709 416089357 /nfs/dbraw/zinc/08/93/57/416089357.db2.gz WHGJASOMPXDWKW-UHFFFAOYSA-N 0 0 322.342 0.926 10 0 DCAERN Cc1cc(N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n2ncnc2n1 ZINC000301734730 416089827 /nfs/dbraw/zinc/08/98/27/416089827.db2.gz GNSYQDSWNXQTLL-LLVKDONJSA-N 0 0 324.410 0.339 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc3ccccn3c2)C1 ZINC000174936521 416090282 /nfs/dbraw/zinc/09/02/82/416090282.db2.gz ZKIXTDUIKXJHMO-LBPRGKRZSA-N 0 0 307.375 0.703 10 0 DCAERN CCCOCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991754 416092589 /nfs/dbraw/zinc/09/25/89/416092589.db2.gz FFECRHOAUYPUFM-GFCCVEGCSA-N 0 0 308.382 0.767 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnn(C)c3)C2=O)n(C)n1 ZINC000175021294 416094398 /nfs/dbraw/zinc/09/43/98/416094398.db2.gz YRPUZECPVFILIS-GFCCVEGCSA-N 0 0 316.365 0.387 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NCc1cnn(C)c1C ZINC000301832093 416094721 /nfs/dbraw/zinc/09/47/21/416094721.db2.gz IYHNKASHHHJYCB-UHFFFAOYSA-N 0 0 315.337 0.653 10 0 DCAERN COc1ccnc(N2CCN(C(=O)c3ccc(C=O)[nH]3)CC2)n1 ZINC000175174861 416099822 /nfs/dbraw/zinc/09/98/22/416099822.db2.gz LIYROECFRRKDPQ-UHFFFAOYSA-N 0 0 315.333 0.588 10 0 DCAERN Cc1nc2ccccc2n1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000357588124 416100842 /nfs/dbraw/zinc/10/08/42/416100842.db2.gz XTCDXLJBKCGBNT-CQSZACIVSA-N 0 0 316.361 0.448 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000175316722 416103041 /nfs/dbraw/zinc/10/30/41/416103041.db2.gz JQEAWFBLKKFFTB-GDBMZVCRSA-N 0 0 311.341 0.586 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C)s1 ZINC000175859282 416114306 /nfs/dbraw/zinc/11/43/06/416114306.db2.gz JVKZTXKTGMYDPF-SNVBAGLBSA-N 0 0 315.420 0.763 10 0 DCAERN Cn1cc(CNC(=O)N2CCN(Cc3ccon3)CC2)cn1 ZINC000175825535 416114646 /nfs/dbraw/zinc/11/46/46/416114646.db2.gz IKXVVZBRUDKSFK-UHFFFAOYSA-N 0 0 304.354 0.436 10 0 DCAERN Cc1cccc(CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 ZINC000175932614 416115835 /nfs/dbraw/zinc/11/58/35/416115835.db2.gz LXNZTYKVILNYQM-UHFFFAOYSA-N 0 0 317.353 0.391 10 0 DCAERN O=S(=O)(CC1CCOCC1)NC[C@H]1CCn2ccnc2C1 ZINC000328614587 416123218 /nfs/dbraw/zinc/12/32/18/416123218.db2.gz ALBVFQDPLJKOCK-ZDUSSCGKSA-N 0 0 313.423 0.792 10 0 DCAERN COc1cccc(CNC(=O)NCc2ccc(C(N)=O)o2)n1 ZINC000176290102 416124059 /nfs/dbraw/zinc/12/40/59/416124059.db2.gz ILNYFFWQHLKJEE-UHFFFAOYSA-N 0 0 304.306 0.782 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000176459027 416125068 /nfs/dbraw/zinc/12/50/68/416125068.db2.gz NXSDVHURIUSLIX-UHFFFAOYSA-N 0 0 318.439 0.574 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCN(C)CC(F)(F)F)[C@H](C)C1 ZINC000357761245 416129539 /nfs/dbraw/zinc/12/95/39/416129539.db2.gz VFSKZRCAHPFPJM-SNVBAGLBSA-N 0 0 324.347 0.743 10 0 DCAERN CC[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)N1CCCC1=O ZINC000328874474 416135539 /nfs/dbraw/zinc/13/55/39/416135539.db2.gz JLISTNGKJJABKS-MCIONIFRSA-N 0 0 309.410 0.319 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328856933 416136474 /nfs/dbraw/zinc/13/64/74/416136474.db2.gz DBVKEACYQJVDGB-RBSFLKMASA-N 0 0 309.410 0.319 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@H](C)COC)CC2 ZINC000176898785 416136464 /nfs/dbraw/zinc/13/64/64/416136464.db2.gz VWEIEYFTNVZFDX-MNOVXSKESA-N 0 0 311.386 0.416 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000176860288 416137004 /nfs/dbraw/zinc/13/70/04/416137004.db2.gz IATPAOCHWMNVRL-STQMWFEESA-N 0 0 320.455 0.236 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328902155 416138156 /nfs/dbraw/zinc/13/81/56/416138156.db2.gz GGXHQUAXBIVESS-ZNMIVQPWSA-N 0 0 323.437 0.567 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H](C)CCS(C)(=O)=O)[C@H](C)C1 ZINC000357831848 416138532 /nfs/dbraw/zinc/13/85/32/416138532.db2.gz GNRDDKZAPSUANQ-GHMZBOCLSA-N 0 0 319.427 0.072 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)[C@H](C)C1 ZINC000357845829 416141414 /nfs/dbraw/zinc/14/14/14/416141414.db2.gz HDXVNPMOFUSVHE-YPMHNXCESA-N 0 0 310.398 0.258 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)n(C)n1 ZINC000177392841 416144020 /nfs/dbraw/zinc/14/40/20/416144020.db2.gz AEWYRLVNXKZLBI-LBPRGKRZSA-N 0 0 305.382 0.364 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCNS(=O)(=O)CC ZINC000177489447 416145551 /nfs/dbraw/zinc/14/55/51/416145551.db2.gz VZGVNSHKFFJCOX-GFCCVEGCSA-N 0 0 320.459 0.051 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177541500 416147619 /nfs/dbraw/zinc/14/76/19/416147619.db2.gz JJJOXBOZNNBQPM-LLVKDONJSA-N 0 0 314.411 0.834 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)[C@H](C)CO ZINC000177807821 416152688 /nfs/dbraw/zinc/15/26/88/416152688.db2.gz QZVGYTUXBXHPEC-NXEZZACHSA-N 0 0 318.333 0.808 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000178690019 416169153 /nfs/dbraw/zinc/16/91/53/416169153.db2.gz AOHPVACLNHMLKE-OAHLLOKOSA-N 0 0 323.368 0.371 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCc2ccccn2)C[C@H](C)O1 ZINC000178913684 416176056 /nfs/dbraw/zinc/17/60/56/416176056.db2.gz WPQTVPOZWUOXMQ-STQMWFEESA-N 0 0 313.423 0.958 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)c(F)c1 ZINC000178957420 416180077 /nfs/dbraw/zinc/18/00/77/416180077.db2.gz WVWVITHVVNZBOC-NSHDSACASA-N 0 0 324.331 0.019 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000179857267 416192834 /nfs/dbraw/zinc/19/28/34/416192834.db2.gz FDNXNRNDLUUGFW-UONOGXRCSA-N 0 0 312.329 0.960 10 0 DCAERN Cc1cc(C(=O)N2CCOCC2)ccc1N[C@H]1CCNC1=O ZINC000179903408 416194554 /nfs/dbraw/zinc/19/45/54/416194554.db2.gz ZQKUKPNAOZPZOP-AWEZNQCLSA-N 0 0 303.362 0.768 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCCCOCCO)c1ccccc1 ZINC000180372935 416195675 /nfs/dbraw/zinc/19/56/75/416195675.db2.gz LRTDCLBCDOWOLH-HNNXBMFYSA-N 0 0 308.378 0.769 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000180276358 416196055 /nfs/dbraw/zinc/19/60/55/416196055.db2.gz VTJFQIVCTMPBCG-CYBMUJFWSA-N 0 0 302.330 0.071 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nn1-c1ccccc1 ZINC000180269035 416196287 /nfs/dbraw/zinc/19/62/87/416196287.db2.gz PPNYTOWGNGGDCH-CQSZACIVSA-N 0 0 314.345 0.507 10 0 DCAERN O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000180514568 416198026 /nfs/dbraw/zinc/19/80/26/416198026.db2.gz VRZDWKUJYZGURD-INIZCTEOSA-N 0 0 319.405 0.641 10 0 DCAERN COC(C)(C)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180586076 416198640 /nfs/dbraw/zinc/19/86/40/416198640.db2.gz FEGWPDSHXPXCQP-UHFFFAOYSA-N 0 0 317.349 0.951 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180932285 416203145 /nfs/dbraw/zinc/20/31/45/416203145.db2.gz NJNCQNCVUBSIMB-YGRLFVJLSA-N 0 0 314.345 0.820 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3ncnn3C)CCO2)n1 ZINC000181278367 416205016 /nfs/dbraw/zinc/20/50/16/416205016.db2.gz QLGJLTCYMLWQII-GFCCVEGCSA-N 0 0 319.369 0.561 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181370683 416205398 /nfs/dbraw/zinc/20/53/98/416205398.db2.gz MQZPXQQOHRWQON-ZDUSSCGKSA-N 0 0 307.398 0.199 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc[nH]n2)C1 ZINC000181387434 416205701 /nfs/dbraw/zinc/20/57/01/416205701.db2.gz AOFUFOWURWUMOO-WDEREUQCSA-N 0 0 306.370 0.649 10 0 DCAERN COCc1ccc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)o1 ZINC000181366171 416206632 /nfs/dbraw/zinc/20/66/32/416206632.db2.gz QFQXKHOFNKOIKJ-CYBMUJFWSA-N 0 0 304.350 0.946 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000347090225 416210284 /nfs/dbraw/zinc/21/02/84/416210284.db2.gz IWBDLWPOYBENKS-FIYWTHMPSA-N 0 0 323.393 0.590 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccn(C)n1 ZINC000181729829 416211683 /nfs/dbraw/zinc/21/16/83/416211683.db2.gz IKBMNRAWGUUMOD-NSHDSACASA-N 0 0 304.354 0.352 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCC(=O)NCC3CC3)C2)cn1 ZINC000182005736 416213276 /nfs/dbraw/zinc/21/32/76/416213276.db2.gz CXQLFSBVVGMJNY-LBPRGKRZSA-N 0 0 305.382 0.445 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](F)C[C@@H]2C(N)=O)ccc1-n1cncn1 ZINC000347243324 416215197 /nfs/dbraw/zinc/21/51/97/416215197.db2.gz VCZGHCPUNZSFLM-WCQYABFASA-N 0 0 317.324 0.614 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000358280403 416219767 /nfs/dbraw/zinc/21/97/67/416219767.db2.gz YCQDCWMGJATEJE-HNNXBMFYSA-N 0 0 321.377 0.612 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@@H]1CCc2ncnn2C1 ZINC000182425210 416222616 /nfs/dbraw/zinc/22/26/16/416222616.db2.gz DHQLOJUIMFCLDT-GFCCVEGCSA-N 0 0 311.345 0.446 10 0 DCAERN CN(C)C(=O)COc1ccccc1C(=O)NC[C@@H](CO)C1CC1 ZINC000358328329 416223387 /nfs/dbraw/zinc/22/33/87/416223387.db2.gz XYQYNFHHGJXQBX-ZDUSSCGKSA-N 0 0 320.389 0.902 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H](CO)C1CC1 ZINC000358327097 416223654 /nfs/dbraw/zinc/22/36/54/416223654.db2.gz WTLCEPBRQNMUIJ-WCBMZHEXSA-N 0 0 311.411 0.623 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000182470435 416224882 /nfs/dbraw/zinc/22/48/82/416224882.db2.gz XMIPQACMIGHQSP-VHSXEESVSA-N 0 0 317.411 0.022 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NC[C@H](CO)C3CC3)n2)cc1 ZINC000358346842 416226025 /nfs/dbraw/zinc/22/60/25/416226025.db2.gz ZIOAIOKNEGOAIV-CQSZACIVSA-N 0 0 315.377 0.783 10 0 DCAERN COC(=O)[C@@H](C)CC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000178175254 416158079 /nfs/dbraw/zinc/15/80/79/416158079.db2.gz AYTHXJKFMSBSQX-NSHDSACASA-N 0 0 324.381 0.612 10 0 DCAERN COCCCn1ccc(NC(=O)N2CC(n3ccnn3)C2)n1 ZINC000358463191 416241861 /nfs/dbraw/zinc/24/18/61/416241861.db2.gz ICAVAEQSPPHYMG-UHFFFAOYSA-N 0 0 305.342 0.600 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000183532279 416244143 /nfs/dbraw/zinc/24/41/43/416244143.db2.gz GEVFOKCNNVCQRM-HNNXBMFYSA-N 0 0 320.389 0.991 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)N(C)Cc1noc(C)n1 ZINC000358510411 416245434 /nfs/dbraw/zinc/24/54/34/416245434.db2.gz RHXWSQJDSZHWPJ-JTQLQIEISA-N 0 0 314.411 0.984 10 0 DCAERN CC[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)N1CCOCC1 ZINC000183602532 416246344 /nfs/dbraw/zinc/24/63/44/416246344.db2.gz IEUPCHRUTQZAPY-ZDUSSCGKSA-N 0 0 320.393 0.515 10 0 DCAERN Cc1nc(CN(C)C(=O)CCS(=O)(=O)CC(C)C)no1 ZINC000358528639 416250936 /nfs/dbraw/zinc/25/09/36/416250936.db2.gz JALBEMFEBONYRM-UHFFFAOYSA-N 0 0 303.384 0.797 10 0 DCAERN C[C@@H]1CC[C@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000190303022 416278039 /nfs/dbraw/zinc/27/80/39/416278039.db2.gz QHVAENMLIDBLOX-HUUCEWRRSA-N 0 0 311.426 0.030 10 0 DCAERN COc1cc(N2CCN([C@@H](C)CN3CCOCC3)CC2)ncn1 ZINC000184084145 416252786 /nfs/dbraw/zinc/25/27/86/416252786.db2.gz GRFIGTLKHCNZNB-AWEZNQCLSA-N 0 0 321.425 0.328 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000186338175 416255876 /nfs/dbraw/zinc/25/58/76/416255876.db2.gz RRMCQKPILMMHJE-JSGCOSHPSA-N 0 0 318.439 0.686 10 0 DCAERN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000358619172 416260495 /nfs/dbraw/zinc/26/04/95/416260495.db2.gz YXNFLSLSXQTQMF-MPKXVKKWSA-N 0 0 322.409 0.697 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CCN1CCO ZINC000187295907 416260825 /nfs/dbraw/zinc/26/08/25/416260825.db2.gz IAFJGHICEXXNOV-ZDUSSCGKSA-N 0 0 319.405 0.527 10 0 DCAERN CCC1(CC)[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C[C@H]1OC ZINC000189311900 416266304 /nfs/dbraw/zinc/26/63/04/416266304.db2.gz DEWPOQHKXRNPPK-AAVRWANBSA-N 0 0 312.410 0.678 10 0 DCAERN O=S(=O)(Cc1ncccn1)C[C@H](O)COCc1ccccc1 ZINC000358704894 416271216 /nfs/dbraw/zinc/27/12/16/416271216.db2.gz FNZVURHVQANZLL-CQSZACIVSA-N 0 0 322.386 0.969 10 0 DCAERN CC1CCC2(CC1)OC[C@H](CNC(=O)[C@H]1CCNC(=O)C1)O2 ZINC000183123808 416236187 /nfs/dbraw/zinc/23/61/87/416236187.db2.gz QJJBJPMKBAAHMA-BTJONVMOSA-N 0 0 310.394 0.951 10 0 DCAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)O2 ZINC000183123786 416237162 /nfs/dbraw/zinc/23/71/62/416237162.db2.gz QJJBJPMKBAAHMA-LGESCRJUSA-N 0 0 310.394 0.951 10 0 DCAERN O=C(Nc1nnc(-c2ccco2)s1)N1CC(n2ccnn2)C1 ZINC000358441640 416237901 /nfs/dbraw/zinc/23/79/01/416237901.db2.gz RXACJTPVBYCJDE-UHFFFAOYSA-N 0 0 317.334 1.478 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)C[S@@](C)=O ZINC000183206097 416238599 /nfs/dbraw/zinc/23/85/99/416238599.db2.gz ZMKAFJDPJXGRKZ-ZWBDZOEQSA-N 0 0 313.832 0.427 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@@H](C)CC2)cn1 ZINC000192289930 416302865 /nfs/dbraw/zinc/30/28/65/416302865.db2.gz DBVYMQSLLWONAO-JTQLQIEISA-N 0 0 311.411 0.988 10 0 DCAERN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193239883 416314299 /nfs/dbraw/zinc/31/42/99/416314299.db2.gz XKCKFFHPYIODCU-GFCCVEGCSA-N 0 0 305.334 0.620 10 0 DCAERN C[C@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)C(=O)N(C)C ZINC000193252921 416314351 /nfs/dbraw/zinc/31/43/51/416314351.db2.gz GHZJEFGOJXZXCZ-JQWIXIFHSA-N 0 0 318.377 0.888 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000193365374 416315925 /nfs/dbraw/zinc/31/59/25/416315925.db2.gz XXRUFWVNVXBUAP-XNRPHZJLSA-N 0 0 320.389 0.860 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C ZINC000193352408 416316482 /nfs/dbraw/zinc/31/64/82/416316482.db2.gz AKJRJKHHVIXZIS-HFBAOOFYSA-N 0 0 302.374 0.942 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@H](C(N)=O)O1 ZINC000193704608 416319148 /nfs/dbraw/zinc/31/91/48/416319148.db2.gz FTESNNOAFSRPNT-HTRCEHHLSA-N 0 0 317.139 0.757 10 0 DCAERN CC(C)[C@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000193948901 416320574 /nfs/dbraw/zinc/32/05/74/416320574.db2.gz HIICFGHKCIFCLU-LLVKDONJSA-N 0 0 314.473 0.479 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3C[C@H](O)C3(C)C)cnc12 ZINC000190523879 416280061 /nfs/dbraw/zinc/28/00/61/416280061.db2.gz ICZDBRXPBNHNPE-NEPJUHHUSA-N 0 0 301.346 0.892 10 0 DCAERN C[C@H]1CN(C[C@H](O)CC2CCCC2)CCN1S(C)(=O)=O ZINC000191070027 416284428 /nfs/dbraw/zinc/28/44/28/416284428.db2.gz GUANBKXHEWAFFX-GXTWGEPZSA-N 0 0 304.456 0.893 10 0 DCAERN CC(C)(C)n1cc(CN2CC[C@H](NS(C)(=O)=O)C2)nn1 ZINC000191382340 416287390 /nfs/dbraw/zinc/28/73/90/416287390.db2.gz PUTACNAMZHIMBF-JTQLQIEISA-N 0 0 301.416 0.157 10 0 DCAERN CCNc1nnc(SCCn2nc3ccccn3c2=O)s1 ZINC000358872077 416288783 /nfs/dbraw/zinc/28/87/83/416288783.db2.gz LWICFDPFBIRVJY-UHFFFAOYSA-N 0 0 322.419 1.572 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000248988819 416334076 /nfs/dbraw/zinc/33/40/76/416334076.db2.gz KQDHDRDHARPJDP-IUCAKERBSA-N 0 0 303.302 0.758 10 0 DCAERN COCCN1CCCN([C@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000249390034 416334302 /nfs/dbraw/zinc/33/43/02/416334302.db2.gz RUOMXFSHGFRIGZ-DOTOQJQBSA-N 0 0 304.390 0.825 10 0 DCAERN CCN(CCCNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)S(C)(=O)=O ZINC000252802923 416334644 /nfs/dbraw/zinc/33/46/44/416334644.db2.gz VTNDVRARLDRWNP-CLLJXQQHSA-N 0 0 320.455 0.978 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359587685 416351968 /nfs/dbraw/zinc/35/19/68/416351968.db2.gz FUZCROLFFWTEHF-FZMZJTMJSA-N 0 0 309.410 0.223 10 0 DCAERN C[C@@H](CO)S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000195051718 416325201 /nfs/dbraw/zinc/32/52/01/416325201.db2.gz YDXQCVKFRKFLSM-IUCAKERBSA-N 0 0 317.329 0.583 10 0 DCAERN CCn1c(C)nnc1CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000195075192 416325277 /nfs/dbraw/zinc/32/52/77/416325277.db2.gz QSKWGEPUGNJQCT-NSHDSACASA-N 0 0 301.416 0.120 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)CC2)cn1 ZINC000195260451 416325941 /nfs/dbraw/zinc/32/59/41/416325941.db2.gz XSPJIORXQUUXTH-UHFFFAOYSA-N 0 0 324.406 0.797 10 0 DCAERN CN1C(=O)c2ccc(C(=O)NC[C@H](CO)C3CC3)cc2C1=O ZINC000359823744 416360818 /nfs/dbraw/zinc/36/08/18/416360818.db2.gz QRJIGPCPUPFQHJ-LLVKDONJSA-N 0 0 302.330 0.661 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000360852748 416414508 /nfs/dbraw/zinc/41/45/08/416414508.db2.gz IBNWYWVHFCOTFQ-NSHDSACASA-N 0 0 311.304 0.611 10 0 DCAERN COC(=O)CCCN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000360962413 416417122 /nfs/dbraw/zinc/41/71/22/416417122.db2.gz ZCIFQRYLVVEEEB-UHFFFAOYSA-N 0 0 307.398 0.618 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@H](C)CCO)no1 ZINC000360437656 416390447 /nfs/dbraw/zinc/39/04/47/416390447.db2.gz NNUSAEKNSARQOD-NXEZZACHSA-N 0 0 300.359 0.985 10 0 DCAERN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC(=O)N(C)C1 ZINC000360493119 416392917 /nfs/dbraw/zinc/39/29/17/416392917.db2.gz VQBQZQKBFQFRTP-NWDGAFQWSA-N 0 0 305.378 0.992 10 0 DCAERN CCOCc1ccc(CNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360505283 416394092 /nfs/dbraw/zinc/39/40/92/416394092.db2.gz TWMFOMQCENLULI-UHFFFAOYSA-N 0 0 305.378 0.571 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360574254 416396672 /nfs/dbraw/zinc/39/66/72/416396672.db2.gz KQPJURMPXDREQW-HNNXBMFYSA-N 0 0 306.362 0.771 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1C ZINC000360590745 416398424 /nfs/dbraw/zinc/39/84/24/416398424.db2.gz HIWXJBBLJLSQMG-NSHDSACASA-N 0 0 311.334 0.666 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360698917 416404102 /nfs/dbraw/zinc/40/41/02/416404102.db2.gz GCDAASAJURAKED-JTQLQIEISA-N 0 0 301.350 0.935 10 0 DCAERN O=C(NC1CN(C(=O)NCc2ccc3cc[nH]c3n2)C1)C1CC1 ZINC000360702145 416404813 /nfs/dbraw/zinc/40/48/13/416404813.db2.gz SKGLOMXEAZDHSE-UHFFFAOYSA-N 0 0 313.361 0.983 10 0 DCAERN CC[C@H](CSC)NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000360773856 416409993 /nfs/dbraw/zinc/40/99/93/416409993.db2.gz UBBGKZDNAPVKPS-GHMZBOCLSA-N 0 0 320.480 0.571 10 0 DCAERN CCOCCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360799564 416411182 /nfs/dbraw/zinc/41/11/82/416411182.db2.gz SZMITJJEJPWJPJ-GFCCVEGCSA-N 0 0 318.439 0.733 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H]2C[C@@H]2C)c1C ZINC000361708202 416481893 /nfs/dbraw/zinc/48/18/93/416481893.db2.gz YGTBFJHIBCLPNQ-WPRPVWTQSA-N 0 0 308.338 0.075 10 0 DCAERN CC(C)CSCCCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458579818 416483504 /nfs/dbraw/zinc/48/35/04/416483504.db2.gz DXIYVSKACPPZTJ-LBPRGKRZSA-N 0 0 315.443 0.718 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)[nH]1 ZINC000533684182 416488290 /nfs/dbraw/zinc/48/82/90/416488290.db2.gz QCLBLGYLOHAXFW-HNNXBMFYSA-N 0 0 307.398 0.308 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000361104644 416421384 /nfs/dbraw/zinc/42/13/84/416421384.db2.gz QYUISSBAXOLLCA-BZPMIXESSA-N 0 0 314.407 0.362 10 0 DCAERN CN1CCC[C@@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000361195789 416425470 /nfs/dbraw/zinc/42/54/70/416425470.db2.gz NKRFXZANGHWJTM-BXKDBHETSA-N 0 0 323.315 0.706 10 0 DCAERN CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ccnc(C)n1 ZINC000361316378 416429510 /nfs/dbraw/zinc/42/95/10/416429510.db2.gz PPHZSSASARJGHW-CQSZACIVSA-N 0 0 321.425 0.767 10 0 DCAERN Cc1cccc2c(O)c(C(=O)N(C)Cc3nnnn3C)cnc12 ZINC000361501001 416441487 /nfs/dbraw/zinc/44/14/87/416441487.db2.gz LLTQZPNUGRHMSN-UHFFFAOYSA-N 0 0 312.333 0.632 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000361501746 416442072 /nfs/dbraw/zinc/44/20/72/416442072.db2.gz ANGOVQKNINNAGA-KGLIPLIRSA-N 0 0 315.373 0.686 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532816689 416458581 /nfs/dbraw/zinc/45/85/81/416458581.db2.gz ZBASKIVQADHKKH-CYBMUJFWSA-N 0 0 319.409 0.672 10 0 DCAERN C[C@@H](C(=O)NCC[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000361919699 416522228 /nfs/dbraw/zinc/52/22/28/416522228.db2.gz UCWRRSJTLJZURM-QWRGUYRKSA-N 0 0 313.375 0.766 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000535598456 416524003 /nfs/dbraw/zinc/52/40/03/416524003.db2.gz PHLYJJJXTSAUNT-LLVKDONJSA-N 0 0 313.398 0.886 10 0 DCAERN COCC1(CNC(=O)NC[C@H](O)Cn2ccnn2)CCCC1 ZINC000459118965 416524506 /nfs/dbraw/zinc/52/45/06/416524506.db2.gz LANHERVFMCZQNJ-LBPRGKRZSA-N 0 0 311.386 0.145 10 0 DCAERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000535713095 416525135 /nfs/dbraw/zinc/52/51/35/416525135.db2.gz FPABPNUETREJPV-QWRGUYRKSA-N 0 0 319.361 0.831 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Cc2ccn(-c3ccccc3)n2)C1 ZINC000536526491 416540229 /nfs/dbraw/zinc/54/02/29/416540229.db2.gz FZKJZDTXEZASPE-CYBMUJFWSA-N 0 0 313.361 0.684 10 0 DCAERN NC(=O)NC(=O)CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361984545 416540896 /nfs/dbraw/zinc/54/08/96/416540896.db2.gz KMQRLESAEZXNIE-CYBMUJFWSA-N 0 0 307.350 0.351 10 0 DCAERN Cn1ccc(CNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)n1 ZINC000536578411 416545841 /nfs/dbraw/zinc/54/58/41/416545841.db2.gz RVSVXWYPMOSIGO-UHFFFAOYSA-N 0 0 317.353 0.217 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cn(C)nc1-c1cccs1 ZINC000536634987 416547620 /nfs/dbraw/zinc/54/76/20/416547620.db2.gz CWGJBEQLSYSTGP-UHFFFAOYSA-N 0 0 317.378 0.944 10 0 DCAERN NC(=O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000537146188 416552426 /nfs/dbraw/zinc/55/24/26/416552426.db2.gz ULSBAFGPPPSJQP-LLVKDONJSA-N 0 0 322.390 0.585 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[C@H](OC)C2)cc1C ZINC000471931528 416552940 /nfs/dbraw/zinc/55/29/40/416552940.db2.gz KUHTYKNJNFAXHK-MNOVXSKESA-N 0 0 309.370 0.627 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1cnn(C)c1 ZINC000361775854 416494519 /nfs/dbraw/zinc/49/45/19/416494519.db2.gz XRXIKPYITGNFKC-UHFFFAOYSA-N 0 0 304.354 0.532 10 0 DCAERN CC(C)n1cc([C@@H](C)NC(=O)N2CC[C@H](NC(N)=O)C2)cn1 ZINC000534225985 416496391 /nfs/dbraw/zinc/49/63/91/416496391.db2.gz GXXPMWWQNIHATE-PWSUYJOCSA-N 0 0 308.386 0.977 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1cnc(C)nc1N)C1CCCC1 ZINC000584193933 416508038 /nfs/dbraw/zinc/50/80/38/416508038.db2.gz MLOYZYRFUMVGOS-CYBMUJFWSA-N 0 0 305.382 0.678 10 0 DCAERN CCc1csc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)n1 ZINC000435051394 416509965 /nfs/dbraw/zinc/50/99/65/416509965.db2.gz YNIOIOPMPLHOLK-SECBINFHSA-N 0 0 324.406 0.723 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000361894156 416518303 /nfs/dbraw/zinc/51/83/03/416518303.db2.gz UIBCTIAHIVWQMW-JTQLQIEISA-N 0 0 316.365 0.979 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](COC)c1ccc(F)cc1 ZINC000435360327 416519085 /nfs/dbraw/zinc/51/90/85/416519085.db2.gz DIDUTYPCIXOUSB-LLVKDONJSA-N 0 0 304.343 0.179 10 0 DCAERN Cc1csc([C@H](C)NC(=O)C(=O)Nc2cc(C)n(C)n2)n1 ZINC000439487293 416614689 /nfs/dbraw/zinc/61/46/89/416614689.db2.gz QJBAZTFJQQVGHB-VIFPVBQESA-N 0 0 307.379 1.309 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000364141472 416581510 /nfs/dbraw/zinc/58/15/10/416581510.db2.gz TZHISSIVLGLZRX-NSHDSACASA-N 0 0 309.366 0.677 10 0 DCAERN Nc1nc(CSCCOCCO)nc(Nc2ccccc2)n1 ZINC000547301825 416678306 /nfs/dbraw/zinc/67/83/06/416678306.db2.gz SZIWNFZSIBOMFL-UHFFFAOYSA-N 0 0 321.406 0.861 10 0 DCAERN CCOC(=O)c1cnc(NCC(=O)NC2CCCCC2)cn1 ZINC000547632766 416679744 /nfs/dbraw/zinc/67/97/44/416679744.db2.gz NRBRKHQUJILAJY-UHFFFAOYSA-N 0 0 306.366 1.514 10 0 DCAERN C[C@H](NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)C(N)=O ZINC000441742408 416679854 /nfs/dbraw/zinc/67/98/54/416679854.db2.gz LXMWMJQTCKNIOP-VIFPVBQESA-N 0 0 317.353 0.329 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[C@H](O)C1 ZINC000439520232 416616065 /nfs/dbraw/zinc/61/60/65/416616065.db2.gz URVVSRWIBYZKSO-KWCYVHTRSA-N 0 0 310.394 0.434 10 0 DCAERN Cc1nccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)CC2)n1 ZINC000439724497 416621140 /nfs/dbraw/zinc/62/11/40/416621140.db2.gz ZEFFCQGCRSURSR-ZIAGYGMSSA-N 0 0 304.394 0.985 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cccc1N(C)C ZINC000440461761 416634984 /nfs/dbraw/zinc/63/49/84/416634984.db2.gz BHNWSTTZGHEAKP-SNVBAGLBSA-N 0 0 304.350 0.004 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC(=O)N1C ZINC000367115043 416640883 /nfs/dbraw/zinc/64/08/83/416640883.db2.gz VPAJRRFJWNYPKE-BFVZDQMLSA-N 0 0 311.407 0.130 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cccc3ncnn32)O1 ZINC000543421064 416641118 /nfs/dbraw/zinc/64/11/18/416641118.db2.gz TZQQBHFLWWRBNN-PWSUYJOCSA-N 0 0 317.349 0.095 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)n(C)n1 ZINC000440580962 416641785 /nfs/dbraw/zinc/64/17/85/416641785.db2.gz LWUOLYFQJMREPJ-SNVBAGLBSA-N 0 0 321.381 0.000 10 0 DCAERN C[C@H]1N(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCOC1(C)C ZINC000440778341 416647694 /nfs/dbraw/zinc/64/76/94/416647694.db2.gz JZYVMSRTEJBNLF-SNVBAGLBSA-N 0 0 323.397 0.998 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000440942655 416653862 /nfs/dbraw/zinc/65/38/62/416653862.db2.gz GFXCRIONQVFMEZ-MNOVXSKESA-N 0 0 321.381 0.136 10 0 DCAERN CN(CCCO)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000440951735 416655488 /nfs/dbraw/zinc/65/54/88/416655488.db2.gz DKZSXVDPWNVZQX-UHFFFAOYSA-N 0 0 318.370 0.482 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000544673885 416659097 /nfs/dbraw/zinc/65/90/97/416659097.db2.gz AJSSNDFVGCFMHV-QWRGUYRKSA-N 0 0 321.395 0.541 10 0 DCAERN CCCNC(=O)CCNC(=O)NCCc1cccc(OC)n1 ZINC000441258998 416668950 /nfs/dbraw/zinc/66/89/50/416668950.db2.gz FDLCUSMGMGFQGY-UHFFFAOYSA-N 0 0 308.382 0.848 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H](C)CS(C)(=O)=O)n1 ZINC000441473156 416673693 /nfs/dbraw/zinc/67/36/93/416673693.db2.gz COXWPCNZEAAYBU-JTQLQIEISA-N 0 0 315.395 0.365 10 0 DCAERN CCn1nccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442047011 416685292 /nfs/dbraw/zinc/68/52/92/416685292.db2.gz HPHQMHPWCOMFEC-JTQLQIEISA-N 0 0 312.395 0.168 10 0 DCAERN O=S(=O)(c1cncc(Cl)c1)N1CCN2CCOC[C@H]2C1 ZINC000368733272 416686914 /nfs/dbraw/zinc/68/69/14/416686914.db2.gz RITIUNZUFVWMDC-LLVKDONJSA-N 0 0 317.798 0.440 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000442481334 416694316 /nfs/dbraw/zinc/69/43/16/416694316.db2.gz RFLVCDVZMZTIFH-PTRXPTGYSA-N 0 0 323.315 0.610 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000553690533 416706025 /nfs/dbraw/zinc/70/60/25/416706025.db2.gz NMVIXMDNHJZUMD-MRXNPFEDSA-N 0 0 316.361 0.771 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCC2([S@](C)=O)CC2)C1 ZINC000442710901 416706191 /nfs/dbraw/zinc/70/61/91/416706191.db2.gz QYMXJXYKPYMRBT-MQJDWESPSA-N 0 0 315.439 0.598 10 0 DCAERN C[C@H]1CN(CCO)CCN1c1ncc(Br)cn1 ZINC000516394944 416722536 /nfs/dbraw/zinc/72/25/36/416722536.db2.gz TWCQQUJNJRILSF-VIFPVBQESA-N 0 0 301.188 0.742 10 0 DCAERN Cc1c(Cl)c(C(=O)N2CC(CN3CCOCC3)C2)nn1C ZINC000615148520 416773798 /nfs/dbraw/zinc/77/37/98/416773798.db2.gz PELYPZXWNAZCIF-UHFFFAOYSA-N 0 0 312.801 0.786 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](COC)C1)CC2 ZINC000369606418 416800374 /nfs/dbraw/zinc/80/03/74/416800374.db2.gz BAFXDAJJWHTIEW-NWDGAFQWSA-N 0 0 307.398 0.833 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cccc3ncnn32)C1 ZINC000518473710 416859012 /nfs/dbraw/zinc/85/90/12/416859012.db2.gz VHIHTBQAZDIETH-LLVKDONJSA-N 0 0 322.390 0.769 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N(C)Cc2nnnn2C)c1 ZINC000444931216 416877146 /nfs/dbraw/zinc/87/71/46/416877146.db2.gz PDUHWWOJCCSZPD-UHFFFAOYSA-N 0 0 305.298 0.056 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000632054728 416887560 /nfs/dbraw/zinc/88/75/60/416887560.db2.gz GKKRBCWNWJJAJG-QLFBSQMISA-N 0 0 322.405 0.984 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCc2cc(C)on2)C1 ZINC000559867440 416826114 /nfs/dbraw/zinc/82/61/14/416826114.db2.gz HTXPQWAPXZVUPF-NSHDSACASA-N 0 0 322.365 0.116 10 0 DCAERN Cn1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c2cc(F)ccc21 ZINC000369857446 416839104 /nfs/dbraw/zinc/83/91/04/416839104.db2.gz RQEIDCJLNPNILH-ZDUSSCGKSA-N 0 0 305.309 0.644 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446458053 416930558 /nfs/dbraw/zinc/93/05/58/416930558.db2.gz OJKMNEYDIIMHPS-JTQLQIEISA-N 0 0 321.303 0.801 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@]1(CCO)CCOC1 ZINC000447072663 416965157 /nfs/dbraw/zinc/96/51/57/416965157.db2.gz MPMNMFAPZJTQPU-WBMJQRKESA-N 0 0 306.362 0.463 10 0 DCAERN CCn1nccc1NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000446749153 416945180 /nfs/dbraw/zinc/94/51/80/416945180.db2.gz XVEMYLRPZOMLJN-UHFFFAOYSA-N 0 0 316.365 0.971 10 0 DCAERN CC(=O)CSCC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000376090375 417021635 /nfs/dbraw/zinc/02/16/35/417021635.db2.gz DFLHAOLQVTXYKV-LLVKDONJSA-N 0 0 308.407 1.087 10 0 DCAERN Cc1ccc(S(=O)(=O)NCc2nnc3ccccn32)cn1 ZINC000447779822 417029409 /nfs/dbraw/zinc/02/94/09/417029409.db2.gz VUGUBFDSKFAVBF-UHFFFAOYSA-N 0 0 303.347 0.911 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCc2ncn(C)n2)cc1 ZINC000447177396 416966375 /nfs/dbraw/zinc/96/63/75/416966375.db2.gz VGFRLEUKZYRHOR-UHFFFAOYSA-N 0 0 324.362 0.123 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)[C@H](C)N2CCN(C)CC2)C[C@H]1C ZINC000374465043 416984108 /nfs/dbraw/zinc/98/41/08/416984108.db2.gz BCBDZMNVMHWSRI-DVOMOZLQSA-N 0 0 311.426 0.280 10 0 DCAERN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000521257533 416999194 /nfs/dbraw/zinc/99/91/94/416999194.db2.gz LAJWJUJLRCKSDV-WOPDTQHZSA-N 0 0 302.396 0.207 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938700 417013576 /nfs/dbraw/zinc/01/35/76/417013576.db2.gz UTIXAFFUWDVXGT-IIAWOOMASA-N 0 0 323.437 0.661 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@@H](CO)c1ccccc1 ZINC000616433526 417045387 /nfs/dbraw/zinc/04/53/87/417045387.db2.gz QPKRBAHKRGOQMX-YOEHRIQHSA-N 0 0 320.389 0.516 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCCC2CC2)n1 ZINC000566538679 417048877 /nfs/dbraw/zinc/04/88/77/417048877.db2.gz BUFOSMHSZBUMFI-LLVKDONJSA-N 0 0 308.382 1.335 10 0 DCAERN CC(C)c1cc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448036386 417058401 /nfs/dbraw/zinc/05/84/01/417058401.db2.gz XVHITGVZTOKAGS-HNNXBMFYSA-N 0 0 304.350 1.085 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCCOCC2CCC2)n1 ZINC000567207472 417058703 /nfs/dbraw/zinc/05/87/03/417058703.db2.gz YBRDRWZVNUYPSG-UHFFFAOYSA-N 0 0 323.397 0.905 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)c1nc(-c2ccon2)no1 ZINC000624542977 417060049 /nfs/dbraw/zinc/06/00/49/417060049.db2.gz FKURDGNJECLRNH-UHFFFAOYSA-N 0 0 321.337 0.991 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000448476829 417076767 /nfs/dbraw/zinc/07/67/67/417076767.db2.gz CPPFOUZYTIFTJU-GFCCVEGCSA-N 0 0 306.366 0.727 10 0 DCAERN O=C(NCc1cc[nH]n1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000523216245 417077436 /nfs/dbraw/zinc/07/74/36/417077436.db2.gz AMJGFLCIMZGUJE-UHFFFAOYSA-N 0 0 300.318 0.990 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616628201 417085460 /nfs/dbraw/zinc/08/54/60/417085460.db2.gz CLGKFVRECVVOMU-GFCCVEGCSA-N 0 0 318.420 0.518 10 0 DCAERN Nc1ccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000616639654 417088172 /nfs/dbraw/zinc/08/81/72/417088172.db2.gz XOMATNJYRGKQTC-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Nc1cccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616639422 417088246 /nfs/dbraw/zinc/08/82/46/417088246.db2.gz MOBFEZUGARRVBG-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cc1C1CC1 ZINC000616772015 417110585 /nfs/dbraw/zinc/11/05/85/417110585.db2.gz DXCBYCHQFFFZAR-SWHYSGLUSA-N 0 0 301.350 0.598 10 0 DCAERN CN1CCO[C@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476133 417114417 /nfs/dbraw/zinc/11/44/17/417114417.db2.gz TWRYJJJVTYVDLH-OLZOCXBDSA-N 0 0 318.439 0.026 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3cc(C)n(C)n3)CCN2C)n1 ZINC000408035023 417131444 /nfs/dbraw/zinc/13/14/44/417131444.db2.gz IYYSSTLCBMKSPD-LBPRGKRZSA-N 0 0 304.354 0.549 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408017151 417133796 /nfs/dbraw/zinc/13/37/96/417133796.db2.gz LFXMKLJYWQLOCH-JQWIXIFHSA-N 0 0 304.412 0.318 10 0 DCAERN CCCCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C ZINC000407971574 417130175 /nfs/dbraw/zinc/13/01/75/417130175.db2.gz BWJYIBKLWQPGHU-NSHDSACASA-N 0 0 315.443 0.628 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H]1C ZINC000408190408 417145024 /nfs/dbraw/zinc/14/50/24/417145024.db2.gz YECJWAWUEBNMPG-NEPJUHHUSA-N 0 0 324.429 0.952 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525808621 417153894 /nfs/dbraw/zinc/15/38/94/417153894.db2.gz RNWZCDQZZSRZKJ-XJKSGUPXSA-N 0 0 324.425 0.019 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC000449918004 417186851 /nfs/dbraw/zinc/18/68/51/417186851.db2.gz GYCMSRWCGOTPTF-JTQLQIEISA-N 0 0 311.336 0.846 10 0 DCAERN COC(=O)C[C@@H](C)N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000450016334 417194412 /nfs/dbraw/zinc/19/44/12/417194412.db2.gz IIVRXHUQBCSELL-GFCCVEGCSA-N 0 0 322.409 0.367 10 0 DCAERN O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408483873 417163922 /nfs/dbraw/zinc/16/39/22/417163922.db2.gz MUIIKRKWCHRKTG-CHWSQXEVSA-N 0 0 316.423 0.486 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617707859 417231422 /nfs/dbraw/zinc/23/14/22/417231422.db2.gz UDYXTRVOGZMULG-HNNXBMFYSA-N 0 0 301.383 0.666 10 0 DCAERN CCOC(=O)c1cc(C(=O)N2CC(n3ccnn3)C2)[nH]c1C ZINC000450490802 417233261 /nfs/dbraw/zinc/23/32/61/417233261.db2.gz MMSVJPRCUQXIHD-UHFFFAOYSA-N 0 0 303.322 0.788 10 0 DCAERN COC(=O)c1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000450588168 417244153 /nfs/dbraw/zinc/24/41/53/417244153.db2.gz UWILIOCSYKLXDX-OAHLLOKOSA-N 0 0 318.373 0.559 10 0 DCAERN CC(C)CCc1cc(NC(=O)COCc2nncn2C)n[nH]1 ZINC000451100986 417298599 /nfs/dbraw/zinc/29/85/99/417298599.db2.gz ZVNTYTQFTUQOKS-UHFFFAOYSA-N 0 0 306.370 1.282 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)CC)C1 ZINC000451140187 417306327 /nfs/dbraw/zinc/30/63/27/417306327.db2.gz BOXVGYOFXIAPBA-STQMWFEESA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CSC1CC1 ZINC000451239348 417320570 /nfs/dbraw/zinc/32/05/70/417320570.db2.gz BBIRECNNKYYYIJ-IUCAKERBSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CSC1CC1 ZINC000451239359 417321529 /nfs/dbraw/zinc/32/15/29/417321529.db2.gz BBIRECNNKYYYIJ-RKDXNWHRSA-N 0 0 302.396 0.455 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)C1 ZINC000622081762 417390625 /nfs/dbraw/zinc/39/06/25/417390625.db2.gz CGFAAMDGDOAWKV-JJXSEGSLSA-N 0 0 324.421 0.633 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCS(=O)(=O)N(C)C)C1 ZINC000643855534 417400336 /nfs/dbraw/zinc/40/03/36/417400336.db2.gz DBMMLMWDZHUAHF-MNOVXSKESA-N 0 0 302.400 0.063 10 0 DCAERN CC[C@@H](NC(C)=O)C(=O)NCc1nn(C)cc1Br ZINC000633307003 417405103 /nfs/dbraw/zinc/40/51/03/417405103.db2.gz VRBDPFFEFDHHDN-SECBINFHSA-N 0 0 317.187 0.714 10 0 DCAERN Cc1nnnn1-c1ccc(C(=O)NC[C@@H](CO)C2CC2)c(F)c1 ZINC000451861551 417405373 /nfs/dbraw/zinc/40/53/73/417405373.db2.gz CUTAWYKHYNCEQG-NSHDSACASA-N 0 0 319.340 0.858 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C2CC2)no1 ZINC000643947552 417421445 /nfs/dbraw/zinc/42/14/45/417421445.db2.gz ZCJORDHQUAQPSZ-OAHLLOKOSA-N 0 0 307.350 0.919 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)c1cn(CC2CC2)nn1 ZINC000622311573 417429781 /nfs/dbraw/zinc/42/97/81/417429781.db2.gz CKTODSUIZLVEJD-UHFFFAOYSA-N 0 0 301.354 0.546 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)NCCOCC2CCC2)cc1C ZINC000570562332 417369241 /nfs/dbraw/zinc/36/92/41/417369241.db2.gz XFISYPFCBOVVPV-UHFFFAOYSA-N 0 0 323.397 0.876 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCc2ccnc(C)c2)cn1C ZINC000451673023 417376791 /nfs/dbraw/zinc/37/67/91/417376791.db2.gz JRYJGDMBWIOGFG-UHFFFAOYSA-N 0 0 322.390 0.567 10 0 DCAERN COCCOCCN1CCCc2c(OCC(N)=O)cccc21 ZINC000451665108 417379847 /nfs/dbraw/zinc/37/98/47/417379847.db2.gz PRJSPKTWVBDQIX-UHFFFAOYSA-N 0 0 308.378 0.966 10 0 DCAERN CCOC(=O)COCCNC(=O)Cn1ncc2ccccc21 ZINC000452695423 417496671 /nfs/dbraw/zinc/49/66/71/417496671.db2.gz FWALOXIGWSXGSR-UHFFFAOYSA-N 0 0 305.334 0.732 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cn2ccc(C)n2)CC12COC2 ZINC000452217220 417459963 /nfs/dbraw/zinc/45/99/63/417459963.db2.gz BYKYMSJOSVOUQS-GFCCVEGCSA-N 0 0 307.350 0.230 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCCn3nccc32)[C@H](C)C1 ZINC000633599118 417460979 /nfs/dbraw/zinc/46/09/79/417460979.db2.gz CFJAUWOHSSFBJL-DGCLKSJQSA-N 0 0 305.382 0.980 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c[nH]c(C3CC3)n2)CC12COC2 ZINC000452269230 417464479 /nfs/dbraw/zinc/46/44/79/417464479.db2.gz XIIONQVJTYWZER-NSHDSACASA-N 0 0 319.361 0.939 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000633625796 417465975 /nfs/dbraw/zinc/46/59/75/417465975.db2.gz ITPJSBVKHPQMBF-DLOVCJGASA-N 0 0 302.396 0.079 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000633642643 417469910 /nfs/dbraw/zinc/46/99/10/417469910.db2.gz PVLAOVJTZLDUCI-INIZCTEOSA-N 0 0 323.437 0.568 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000633659262 417472114 /nfs/dbraw/zinc/47/21/14/417472114.db2.gz LPCACRDTJJICFH-ZIAGYGMSSA-N 0 0 309.410 0.761 10 0 DCAERN CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(OC)c1C ZINC000453978795 417540772 /nfs/dbraw/zinc/54/07/72/417540772.db2.gz UZHPQZJZHOUUDN-JTQLQIEISA-N 0 0 321.377 0.891 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCO[C@H](CO)C1)CC2 ZINC000530288611 417562277 /nfs/dbraw/zinc/56/22/77/417562277.db2.gz SPYOKNRWTBNULI-NEPJUHHUSA-N 0 0 307.394 0.858 10 0 DCAERN C[C@H](CNC(=O)[C@@H](C)N1C(=O)CCC1=O)N1CCCCC1=O ZINC000530294421 417562361 /nfs/dbraw/zinc/56/23/61/417562361.db2.gz ONTGLGIBJWNHPO-GHMZBOCLSA-N 0 0 309.366 0.041 10 0 DCAERN CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)C(=O)NC ZINC000454099412 417547469 /nfs/dbraw/zinc/54/74/69/417547469.db2.gz NGCUFERSRZDRQP-GFCCVEGCSA-N 0 0 319.361 0.591 10 0 DCAERN O=C([O-])[C@@H](C1CC1)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000635015997 417555294 /nfs/dbraw/zinc/55/52/94/417555294.db2.gz JVWPUUSFKSEPHW-MRXNPFEDSA-N 0 0 323.437 0.916 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCOC2)CC12COC2 ZINC000454396262 417559815 /nfs/dbraw/zinc/55/98/15/417559815.db2.gz TWSRAXYODIAJPG-NWDGAFQWSA-N 0 0 312.366 0.244 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H](C)CCOC)CC12COC2 ZINC000454425312 417560707 /nfs/dbraw/zinc/56/07/07/417560707.db2.gz KNAWFVUGUNYKNL-VXGBXAGGSA-N 0 0 314.382 0.633 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000453738170 417528103 /nfs/dbraw/zinc/52/81/03/417528103.db2.gz MKYUGEMVOORNHP-NWDGAFQWSA-N 0 0 321.377 0.957 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](C)SC)CC12COC2 ZINC000454703728 417578208 /nfs/dbraw/zinc/57/82/08/417578208.db2.gz AECXUZDOXSAYNP-QWRGUYRKSA-N 0 0 316.423 0.959 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000628279450 417603305 /nfs/dbraw/zinc/60/33/05/417603305.db2.gz LGNHDDHIAIAUNX-JFUSQASVSA-N 0 0 322.365 0.808 10 0 DCAERN Cc1nc(NC(=O)NCC[C@@H]2COc3ccccc3O2)nn1C ZINC000455518863 417607688 /nfs/dbraw/zinc/60/76/88/417607688.db2.gz NZWGOCDKRMVISY-LLVKDONJSA-N 0 0 317.349 1.475 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000530358858 417572087 /nfs/dbraw/zinc/57/20/87/417572087.db2.gz QZWJMMVYYIZMPP-OLZOCXBDSA-N 0 0 307.398 0.804 10 0 DCAERN C[C@@H](NC(=O)CN1CCCC[C@H](O)C1=O)c1cncc(F)c1 ZINC000644419228 417572472 /nfs/dbraw/zinc/57/24/72/417572472.db2.gz WJMRKZOFGGGCJX-MFKMUULPSA-N 0 0 309.341 0.771 10 0 DCAERN O=C(NC[C@H]1CCOC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439757349 287388979 /nfs/dbraw/zinc/38/89/79/287388979.db2.gz GJIANTSTXJWDOL-LLVKDONJSA-N 0 0 317.345 0.515 10 0 DCAERN COCn1nccc1S(=O)(=O)N(C)Cc1cc(C)on1 ZINC000440055712 287393000 /nfs/dbraw/zinc/39/30/00/287393000.db2.gz RLRJUUVKMCEKLR-UHFFFAOYSA-N 0 0 300.340 0.604 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440037850 287392309 /nfs/dbraw/zinc/39/23/09/287392309.db2.gz QHXASLNVFQHSGK-MFKMUULPSA-N 0 0 317.345 0.344 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)NCc1nnc2ccccn21 ZINC000576690430 417630327 /nfs/dbraw/zinc/63/03/27/417630327.db2.gz WUAPKFSTAIAMOM-UHFFFAOYSA-N 0 0 306.351 0.250 10 0 DCAERN CC(=O)CCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628726408 417684257 /nfs/dbraw/zinc/68/42/57/417684257.db2.gz GECAWIDYLRLGKB-LLVKDONJSA-N 0 0 302.338 0.188 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628777474 417689581 /nfs/dbraw/zinc/68/95/81/417689581.db2.gz OKVLYXQPTCRVRU-SHTZXODSSA-N 0 0 317.389 0.458 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN(CCO)C[C@@H]2C)c1 ZINC000457141921 417693548 /nfs/dbraw/zinc/69/35/48/417693548.db2.gz YKRPLSQQSGIQSX-ZDUSSCGKSA-N 0 0 320.389 0.793 10 0 DCAERN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000531867253 417643483 /nfs/dbraw/zinc/64/34/83/417643483.db2.gz LWLMGIDVZIIDOS-INIZCTEOSA-N 0 0 322.361 0.464 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000531863730 417644924 /nfs/dbraw/zinc/64/49/24/417644924.db2.gz UCEBJIBRMYPCSX-CHWSQXEVSA-N 0 0 324.425 0.411 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532028416 417654074 /nfs/dbraw/zinc/65/40/74/417654074.db2.gz MJKAVEBIOGYKRC-UHFFFAOYSA-N 0 0 314.349 0.712 10 0 DCAERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(C)Cc1nnnn1C ZINC000532062486 417655113 /nfs/dbraw/zinc/65/51/13/417655113.db2.gz FKFNPZTZCUUSAO-WCQYABFASA-N 0 0 310.402 0.803 10 0 DCAERN COC1(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CCC1 ZINC000628575022 417655967 /nfs/dbraw/zinc/65/59/67/417655967.db2.gz AAOOXORWMLTRLN-HNNXBMFYSA-N 0 0 312.410 0.288 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cc1Cl ZINC000440477814 287402379 /nfs/dbraw/zinc/40/23/79/287402379.db2.gz KCNMUIMNMWGPGH-VIFPVBQESA-N 0 0 323.736 0.486 10 0 DCAERN Cc1cc(C(=O)NC[C@H](O)Cn2ccnn2)c2ccccc2n1 ZINC000458117741 417722316 /nfs/dbraw/zinc/72/23/16/417722316.db2.gz ALCFDXQDOWSGTN-LBPRGKRZSA-N 0 0 311.345 0.926 10 0 DCAERN C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458123875 417723985 /nfs/dbraw/zinc/72/39/85/417723985.db2.gz AEBACCFIRUUVHO-JQWIXIFHSA-N 0 0 308.313 0.362 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)c1ccc2c(c1)CCCC2 ZINC000458126239 417724114 /nfs/dbraw/zinc/72/41/14/417724114.db2.gz BVUGGPHUBNMZBW-HNNXBMFYSA-N 0 0 300.362 0.948 10 0 DCAERN CC[N@H+](C)[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458151204 417725296 /nfs/dbraw/zinc/72/52/96/417725296.db2.gz WDFCJKMHNHUCCK-CABCVRRESA-N 0 0 317.393 0.448 10 0 DCAERN Cc1ccc(CC(=O)NC[C@@H](O)Cn2ccnn2)c(Cl)c1 ZINC000458154890 417725383 /nfs/dbraw/zinc/72/53/83/417725383.db2.gz ZTSVRZBUCJFSPQ-GFCCVEGCSA-N 0 0 308.769 0.960 10 0 DCAERN CC(C)Oc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccn1 ZINC000458154808 417725483 /nfs/dbraw/zinc/72/54/83/417725483.db2.gz ZPSNDEDDTLVJBK-LBPRGKRZSA-N 0 0 305.338 0.251 10 0 DCAERN CC(C)(C)Oc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)nc1 ZINC000458142568 417725614 /nfs/dbraw/zinc/72/56/14/417725614.db2.gz PAXPMPZJGKYGEF-LLVKDONJSA-N 0 0 319.365 0.641 10 0 DCAERN Cc1cccc(CC(=O)NC[C@H](O)Cn2ccnn2)c1Cl ZINC000458148097 417725677 /nfs/dbraw/zinc/72/56/77/417725677.db2.gz STUMAKVFRPYDPV-LBPRGKRZSA-N 0 0 308.769 0.960 10 0 DCAERN O=C(CCOc1ccc(Cl)cc1)NC[C@H](O)Cn1ccnn1 ZINC000458152415 417726046 /nfs/dbraw/zinc/72/60/46/417726046.db2.gz XNZAPKFQCRFKEZ-LBPRGKRZSA-N 0 0 324.768 0.878 10 0 DCAERN COc1ccc([C@H](CO)CNC(=O)COc2cnn(C)c2)cc1 ZINC000458220538 417731157 /nfs/dbraw/zinc/73/11/57/417731157.db2.gz NXEDZMPJJRLMLR-ZDUSSCGKSA-N 0 0 319.361 0.700 10 0 DCAERN CCOc1cccc(CCNC(=O)CN2CCN(C)C(=O)C2)c1 ZINC000444253774 287419373 /nfs/dbraw/zinc/41/93/73/287419373.db2.gz UYEVNRJEYHHGQJ-UHFFFAOYSA-N 0 0 319.405 0.518 10 0 DCAERN COc1ncc(Cl)c(N[C@@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000664267896 418106977 /nfs/dbraw/zinc/10/69/77/418106977.db2.gz FYCSDXUFWNTVJV-HTQZYQBOSA-N 0 0 307.759 0.363 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(C)CCCO)C[C@H](c2ccccc2)O1 ZINC000460053619 287512672 /nfs/dbraw/zinc/51/26/72/287512672.db2.gz CRQQRAIGOHEEHW-DZGCQCFKSA-N 0 0 320.389 0.816 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)noc1C ZINC000488163198 287547161 /nfs/dbraw/zinc/54/71/61/287547161.db2.gz ONGHXSPVZAVLFU-DTWKUNHWSA-N 0 0 311.338 0.478 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1CCCO1 ZINC000488245924 287547589 /nfs/dbraw/zinc/54/75/89/287547589.db2.gz HAQMXHDOZCKNGN-GARJFASQSA-N 0 0 300.355 0.128 10 0 DCAERN NC(=O)[C@@H]1CN(c2ncnc(N)c2Cl)C[C@H]1C(F)(F)F ZINC000299745485 229387318 /nfs/dbraw/zinc/38/73/18/229387318.db2.gz ZMOGWGRBOROWMJ-RFZPGFLSSA-N 0 0 309.679 0.812 10 0 DCAERN C[C@H]1COCC[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000302024079 230042639 /nfs/dbraw/zinc/04/26/39/230042639.db2.gz KSVHLJWUFVTTBH-CBAPKCEASA-N 0 0 304.393 0.550 10 0 DCAERN COCCNS(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000074936673 261107074 /nfs/dbraw/zinc/10/70/74/261107074.db2.gz XCCRAMZWZFERCH-UHFFFAOYSA-N 0 0 305.352 0.637 10 0 DCAERN Cc1nc(C(=O)NCCN2CCOC(C)(C)C2)c(=O)[nH]c1C ZINC000179155480 261111993 /nfs/dbraw/zinc/11/19/93/261111993.db2.gz UGXUAUSLJCFKFE-UHFFFAOYSA-N 0 0 308.382 0.227 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000182127434 261115021 /nfs/dbraw/zinc/11/50/21/261115021.db2.gz DDJQKTFPUHWAGT-UHFFFAOYSA-N 0 0 313.304 0.934 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187493009 261123629 /nfs/dbraw/zinc/12/36/29/261123629.db2.gz AXLNGKZKOUCPRD-UHFFFAOYSA-N 0 0 317.349 0.259 10 0 DCAERN CO[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC[C@H]1C ZINC000187734084 261124905 /nfs/dbraw/zinc/12/49/05/261124905.db2.gz UBTUCXBBJYITGM-DGCLKSJQSA-N 0 0 318.439 0.541 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)no2)c1 ZINC000188464955 261128079 /nfs/dbraw/zinc/12/80/79/261128079.db2.gz DNMXAEKUAYFPJX-LLVKDONJSA-N 0 0 317.349 0.531 10 0 DCAERN COC(=O)[C@@](C)(CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000188549965 261128358 /nfs/dbraw/zinc/12/83/58/261128358.db2.gz FJTAPDZQTTVQEU-ZBEGNZNMSA-N 0 0 304.346 0.370 10 0 DCAERN COc1cc(S(=O)(=O)NCC(=O)NCC2CC2)ccc1F ZINC000190844202 261135272 /nfs/dbraw/zinc/13/52/72/261135272.db2.gz FQFILHUYJFKLNB-UHFFFAOYSA-N 0 0 316.354 0.639 10 0 DCAERN COCCN(CCOC)C(=O)NCCc1c(C)nn(C)c1C ZINC000194339088 261146144 /nfs/dbraw/zinc/14/61/44/261146144.db2.gz YPQLIBZMJYNYQM-UHFFFAOYSA-N 0 0 312.414 0.884 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@H]1O ZINC000221839966 261152381 /nfs/dbraw/zinc/15/23/81/261152381.db2.gz GFDQEOIMTVJJLC-ZWNOBZJWSA-N 0 0 312.391 0.901 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)s1 ZINC000354725328 261263934 /nfs/dbraw/zinc/26/39/34/261263934.db2.gz HUABUPWDADAIEV-GMSGAONNSA-N 0 0 311.363 0.560 10 0 DCAERN NC(=O)C1CCC(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CC1 ZINC000356094898 261390465 /nfs/dbraw/zinc/39/04/65/261390465.db2.gz QGHKUQCRNCGPDI-CKCNXQLGSA-N 0 0 317.389 0.988 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCN(C(C)=O)C[C@@H]2C)nc1 ZINC000357175418 261512118 /nfs/dbraw/zinc/51/21/18/261512118.db2.gz WSLGUVDEYTXGNL-JTQLQIEISA-N 0 0 312.395 0.047 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nncn2C)[C@H](C)C1 ZINC000357924173 261601351 /nfs/dbraw/zinc/60/13/51/261601351.db2.gz HCEJDCWZWZDJLU-NXEZZACHSA-N 0 0 311.411 0.375 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)c1 ZINC000358063567 261624316 /nfs/dbraw/zinc/62/43/16/261624316.db2.gz NRZZDARNVGXLHI-YPMHNXCESA-N 0 0 305.378 0.490 10 0 DCAERN CC(=O)NCC[C@@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358189724 261645028 /nfs/dbraw/zinc/64/50/28/261645028.db2.gz VITSVLISEUVULC-ZDUSSCGKSA-N 0 0 307.398 0.900 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000358274226 261654831 /nfs/dbraw/zinc/65/48/31/261654831.db2.gz LWZLURSJKNYDDD-AWEZNQCLSA-N 0 0 321.377 0.564 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NCc1ccc2cc[nH]c2n1 ZINC000358408808 261665146 /nfs/dbraw/zinc/66/51/46/261665146.db2.gz HJRVOQIKCQPQJK-UHFFFAOYSA-N 0 0 322.390 0.605 10 0 DCAERN Cc1ccc(NC(=O)N2CC(n3ccnn3)C2)cc1C(N)=O ZINC000358461218 261671186 /nfs/dbraw/zinc/67/11/86/261671186.db2.gz PXIORSIDQCMJLR-UHFFFAOYSA-N 0 0 300.322 0.774 10 0 DCAERN C[C@H](c1ccccc1)[C@H](NC(=O)COc1cnn(C)c1)C(N)=O ZINC000359242637 261730970 /nfs/dbraw/zinc/73/09/70/261730970.db2.gz KFDREJJCCXIRNV-ABAIWWIYSA-N 0 0 316.361 0.573 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCC(F)(F)C2)CCO1 ZINC000359451695 261746034 /nfs/dbraw/zinc/74/60/34/261746034.db2.gz COAZXVGVXFDZEP-NXEZZACHSA-N 0 0 305.325 0.721 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)NCCS(=O)(=O)N(C)C ZINC000359805611 261770264 /nfs/dbraw/zinc/77/02/64/261770264.db2.gz YNRAHXZNSNFJKR-LLVKDONJSA-N 0 0 306.428 0.780 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@]2(OC)CCOC2)n1 ZINC000360066314 261787256 /nfs/dbraw/zinc/78/72/56/261787256.db2.gz OQVDWORXNIKJCR-HNNXBMFYSA-N 0 0 309.366 0.737 10 0 DCAERN CN1CN(CC(=O)NCCCOc2ccccc2F)CC1=O ZINC000360469592 261835010 /nfs/dbraw/zinc/83/50/10/261835010.db2.gz PPOVAMBQJVXJDN-UHFFFAOYSA-N 0 0 309.341 0.442 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H]1C(N)=O ZINC000360714162 261865637 /nfs/dbraw/zinc/86/56/37/261865637.db2.gz OONQRDUTRKGNBT-CABZTGNLSA-N 0 0 301.350 0.826 10 0 DCAERN C/C=C/C[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC ZINC000361563120 261939056 /nfs/dbraw/zinc/93/90/56/261939056.db2.gz LCSSKGQZDAWWTH-JOAKQRRISA-N 0 0 318.395 0.036 10 0 DCAERN COC[C@@](C)(NC(=O)CCN1C(=O)CCC1=O)C(F)(F)F ZINC000362204673 262009025 /nfs/dbraw/zinc/00/90/25/262009025.db2.gz OWCGXZVHBWPGHD-LLVKDONJSA-N 0 0 310.272 0.609 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(C(=O)NCc2nnc3ccccn32)C1 ZINC000362362842 262026618 /nfs/dbraw/zinc/02/66/18/262026618.db2.gz XNMCOZRXCBCGRS-HNNXBMFYSA-N 0 0 316.365 0.397 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000362730289 262066175 /nfs/dbraw/zinc/06/61/75/262066175.db2.gz GQHYYONFBNTNOI-USWWRNFRSA-N 0 0 302.396 0.382 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccoc1Br ZINC000362746347 262067474 /nfs/dbraw/zinc/06/74/74/262067474.db2.gz HIXIUMJKQPLMMI-UHFFFAOYSA-N 0 0 300.116 0.838 10 0 DCAERN CCOc1cccc(CCNC(=O)[C@@H](CO)NC(=O)C(C)C)c1 ZINC000362909488 262086201 /nfs/dbraw/zinc/08/62/01/262086201.db2.gz UUSQORIBRJXWOM-OAHLLOKOSA-N 0 0 322.405 0.877 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCO3)CCO1 ZINC000363189031 262104607 /nfs/dbraw/zinc/10/46/07/262104607.db2.gz WLXYGBPLETXZSP-ZDUSSCGKSA-N 0 0 305.334 0.730 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000363359435 262112433 /nfs/dbraw/zinc/11/24/33/262112433.db2.gz TYHWHKLNNDXFSS-NWDGAFQWSA-N 0 0 320.397 0.703 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)c2cccn(C)c2=O)c1 ZINC000363387575 262113768 /nfs/dbraw/zinc/11/37/68/262113768.db2.gz HKPXONRHCQWXCJ-UHFFFAOYSA-N 0 0 310.317 0.922 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1=O ZINC000363422390 262115489 /nfs/dbraw/zinc/11/54/89/262115489.db2.gz MQZWZQRKKJVVFH-DCQANWLSSA-N 0 0 320.393 0.058 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1=O ZINC000363422391 262115597 /nfs/dbraw/zinc/11/55/97/262115597.db2.gz MQZWZQRKKJVVFH-XZUYRWCXSA-N 0 0 320.393 0.058 10 0 DCAERN O=C(Cc1csc2nccn12)N1CCN2CCOC[C@H]2C1 ZINC000363822552 262133200 /nfs/dbraw/zinc/13/32/00/262133200.db2.gz OTACBDNUQOHLAO-GFCCVEGCSA-N 0 0 306.391 0.481 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000367861335 262142529 /nfs/dbraw/zinc/14/25/29/262142529.db2.gz ACLVSAJWBNGNFO-GXFFZTMASA-N 0 0 304.387 0.621 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000367861337 262142771 /nfs/dbraw/zinc/14/27/71/262142771.db2.gz ACLVSAJWBNGNFO-ZWNOBZJWSA-N 0 0 304.387 0.621 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000374661308 262158636 /nfs/dbraw/zinc/15/86/36/262158636.db2.gz VJZGICFSFDUSPS-RYUDHWBXSA-N 0 0 302.371 0.369 10 0 DCAERN Cn1cc(Br)c(CNS(=O)(=O)N2CCCC2)n1 ZINC000393635676 262160914 /nfs/dbraw/zinc/16/09/14/262160914.db2.gz SFZGLJGTOVZKCQ-UHFFFAOYSA-N 0 0 323.216 0.613 10 0 DCAERN Cc1oc(Br)cc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000396738651 262163595 /nfs/dbraw/zinc/16/35/95/262163595.db2.gz NBSQCOCPZIYAAP-SSDOTTSWSA-N 0 0 315.123 0.886 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412070149 262180371 /nfs/dbraw/zinc/18/03/71/262180371.db2.gz JPJZBCRURZNABV-LXZKKBNFSA-N 0 0 323.389 0.711 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H]([C@@H](C)O)C1 ZINC000412066472 262180847 /nfs/dbraw/zinc/18/08/47/262180847.db2.gz DDXNBAZHNWLHHS-DOMZBBRYSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@@H]2CCCCN2CCO)s1 ZINC000412378576 262187729 /nfs/dbraw/zinc/18/77/29/262187729.db2.gz UOTUFBMGDVVERC-NSHDSACASA-N 0 0 311.407 0.922 10 0 DCAERN CC(=O)N1CCCc2cc(NC(=O)NC[C@@](C)(O)CO)ccc21 ZINC000432008666 262638931 /nfs/dbraw/zinc/63/89/31/262638931.db2.gz RKYHHBKKQJHTDG-MRXNPFEDSA-N 0 0 321.377 0.851 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cnc2n[nH]nc2c1 ZINC000357119243 271044655 /nfs/dbraw/zinc/04/46/55/271044655.db2.gz TZFJMPMGWROFPJ-LBPRGKRZSA-N 0 0 322.328 0.888 10 0 DCAERN COCCN(C(=O)NC[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000359116883 271096815 /nfs/dbraw/zinc/09/68/15/271096815.db2.gz IIGGOROCUFCJNP-SRVKXCTJSA-N 0 0 304.412 0.488 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)NC[C@@H](CO)C1CC1 ZINC000359153339 271100026 /nfs/dbraw/zinc/10/00/26/271100026.db2.gz YETVCMOZJXMSQH-MELADBBJSA-N 0 0 316.398 0.125 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCC23CCC3)n1 ZINC000359219764 271106946 /nfs/dbraw/zinc/10/69/46/271106946.db2.gz BYQKSKGEKXECKI-UHFFFAOYSA-N 0 0 303.362 0.904 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@H](O)COCC2CC2)cn1 ZINC000359596158 271128526 /nfs/dbraw/zinc/12/85/26/271128526.db2.gz PYCLCPTWYOYZHE-ZDUSSCGKSA-N 0 0 323.393 0.725 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359601943 271129833 /nfs/dbraw/zinc/12/98/33/271129833.db2.gz UFNMLHYNQFYRRL-ZDUSSCGKSA-N 0 0 318.439 0.684 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359613164 271133212 /nfs/dbraw/zinc/13/32/12/271133212.db2.gz ZCJYLHIIVKSGCW-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN CO[C@]1(CNC(=O)[C@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000359785900 271142104 /nfs/dbraw/zinc/14/21/04/271142104.db2.gz DQTCBGWNUTXAGT-LRDDRELGSA-N 0 0 306.362 0.727 10 0 DCAERN C[C@H](NC(=O)c1cccc2ncnn21)C(=O)NCc1ccco1 ZINC000359787937 271143763 /nfs/dbraw/zinc/14/37/63/271143763.db2.gz FWKTZWYWBIJNRI-JTQLQIEISA-N 0 0 313.317 0.757 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000434645807 271537591 /nfs/dbraw/zinc/53/75/91/271537591.db2.gz NAYARFKPYFSOPR-UKRRQHHQSA-N 0 0 320.389 0.805 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000435932407 271581372 /nfs/dbraw/zinc/58/13/72/271581372.db2.gz BNLFDLVGGWQUHP-UHFFFAOYSA-N 0 0 323.378 0.838 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cncc(F)c2)C1 ZINC000440065167 271648423 /nfs/dbraw/zinc/64/84/23/271648423.db2.gz UQWGATIFLLIFKD-SNVBAGLBSA-N 0 0 323.328 0.079 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000442256727 271665229 /nfs/dbraw/zinc/66/52/29/271665229.db2.gz SLWCOBSDTIRUOA-QWRGUYRKSA-N 0 0 307.398 0.526 10 0 DCAERN CCOC(=O)Cc1cccc(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443272993 271705343 /nfs/dbraw/zinc/70/53/43/271705343.db2.gz NRJXWMGZGVEMBT-UHFFFAOYSA-N 0 0 322.361 0.572 10 0 DCAERN COc1ccnc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000448288135 271819643 /nfs/dbraw/zinc/81/96/43/271819643.db2.gz UCQKGRXZKFYESJ-INIZCTEOSA-N 0 0 317.345 0.319 10 0 DCAERN Cc1nn(C)cc1CC(=O)NCC(=O)N1CCc2ccccc21 ZINC000448863441 271834739 /nfs/dbraw/zinc/83/47/39/271834739.db2.gz BNQRLINPJLEPPS-UHFFFAOYSA-N 0 0 312.373 0.977 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC12COC2 ZINC000452266467 271913544 /nfs/dbraw/zinc/91/35/44/271913544.db2.gz SMDSRVNKSVQLKK-AGIUHOORSA-N 0 0 311.378 0.982 10 0 DCAERN Cc1cccc(O[C@@H](C)C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458127911 271943873 /nfs/dbraw/zinc/94/38/73/271943873.db2.gz NKPJPVDITFSNFK-STQMWFEESA-N 0 0 304.350 0.531 10 0 DCAERN COc1cc(C)ccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459363323 271992424 /nfs/dbraw/zinc/99/24/24/271992424.db2.gz ZCLYEBGNCADHQS-NSHDSACASA-N 0 0 305.338 0.778 10 0 DCAERN C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459839673 272015057 /nfs/dbraw/zinc/01/50/57/272015057.db2.gz XCMIHISFQHCBMZ-BLLLJJGKSA-N 0 0 307.394 0.516 10 0 DCAERN Cc1cc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(C)C)C2)no1 ZINC000459991865 272023090 /nfs/dbraw/zinc/02/30/90/272023090.db2.gz HYWKHFGRZOVNKI-CYBMUJFWSA-N 0 0 309.366 0.825 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000466486214 272027212 /nfs/dbraw/zinc/02/72/12/272027212.db2.gz ITPNXDJPNCTRFQ-GARJFASQSA-N 0 0 307.416 0.133 10 0 DCAERN CO[C@@]1(C)CCCN(C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000471657652 272028918 /nfs/dbraw/zinc/02/89/18/272028918.db2.gz IPQFJJNCOMBVDO-NSHDSACASA-N 0 0 311.304 0.875 10 0 DCAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000471924138 272032572 /nfs/dbraw/zinc/03/25/72/272032572.db2.gz LHLSVGFMIZVYKN-JGVFFNPUSA-N 0 0 322.287 0.521 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCS1 ZINC000487119400 272038100 /nfs/dbraw/zinc/03/81/00/272038100.db2.gz NCLAJCPIFYITKL-GUBZILKMSA-N 0 0 302.396 0.455 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000488745814 272049219 /nfs/dbraw/zinc/04/92/19/272049219.db2.gz DQOZRSVMYZZMNQ-ZJUUUORDSA-N 0 0 306.322 0.971 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000488745811 272050012 /nfs/dbraw/zinc/05/00/12/272050012.db2.gz DQOZRSVMYZZMNQ-NXEZZACHSA-N 0 0 306.322 0.971 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@H]3CCC(=O)NC3)cc21 ZINC000488953231 272054198 /nfs/dbraw/zinc/05/41/98/272054198.db2.gz XPGDMNGXFSHCAN-LBPRGKRZSA-N 0 0 314.345 0.939 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC(CC)CC ZINC000491939167 272109650 /nfs/dbraw/zinc/10/96/50/272109650.db2.gz VGKAAJQOAMLHHR-ZJUUUORDSA-N 0 0 301.387 0.931 10 0 DCAERN Cn1ccc(CNS(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000493504182 272193390 /nfs/dbraw/zinc/19/33/90/272193390.db2.gz QFBJIOFIDOSPGD-UHFFFAOYSA-N 0 0 305.310 0.360 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](CO)[C@H]1C)CC2 ZINC000495194105 272240865 /nfs/dbraw/zinc/24/08/65/272240865.db2.gz RAAJERVZPGSWOM-IJLUTSLNSA-N 0 0 307.398 0.568 10 0 DCAERN COC(=O)C1(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)CC1 ZINC000516614707 272439907 /nfs/dbraw/zinc/43/99/07/272439907.db2.gz QFFQOVBONBWOQH-NXEZZACHSA-N 0 0 309.322 0.620 10 0 DCAERN COC(=O)[C@@](C)(O)CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054091 272458076 /nfs/dbraw/zinc/45/80/76/272458076.db2.gz SFUSVWOPPNEWRQ-ABAIWWIYSA-N 0 0 324.381 0.160 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527505291 287695022 /nfs/dbraw/zinc/69/50/22/287695022.db2.gz JIISTMOEFLHHJC-WDEREUQCSA-N 0 0 317.349 0.745 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408392590 287733622 /nfs/dbraw/zinc/73/36/22/287733622.db2.gz IBCOIJOXZHMBMG-AGIUHOORSA-N 0 0 302.440 0.752 10 0 DCAERN Cn1ccc(CNC(=O)NCCn2c(=O)[nH]c3ccccc32)n1 ZINC000535027704 287825256 /nfs/dbraw/zinc/82/52/56/287825256.db2.gz CZFJMKLJTYJDDT-UHFFFAOYSA-N 0 0 314.349 0.975 10 0 DCAERN CC(C)(C)n1ncc(N2CC[C@@H](NC(N)=O)C2)c(Cl)c1=O ZINC000535685304 287836671 /nfs/dbraw/zinc/83/66/71/287836671.db2.gz HPGYNIKLMIIRPP-MRVPVSSYSA-N 0 0 313.789 0.899 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1CC1(O)CCS(=O)(=O)CC1 ZINC000535764354 287842436 /nfs/dbraw/zinc/84/24/36/287842436.db2.gz YZNGGUOGQPLSEF-LBPRGKRZSA-N 0 0 319.423 0.342 10 0 DCAERN COC(=O)COc1ccc(C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000536527638 287855329 /nfs/dbraw/zinc/85/53/29/287855329.db2.gz DUBNKACJMXARBL-LLVKDONJSA-N 0 0 321.333 0.121 10 0 DCAERN CC(C)[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245711298 276021548 /nfs/dbraw/zinc/02/15/48/276021548.db2.gz CJOVQAXKWDUSBI-HOCLYGCPSA-N 0 0 319.405 0.686 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cn2cccnc2n1 ZINC000538699993 287882946 /nfs/dbraw/zinc/88/29/46/287882946.db2.gz ZTPXDRIJWLFTPW-PWSUYJOCSA-N 0 0 318.333 0.522 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@@H]1CC ZINC000174919332 276319507 /nfs/dbraw/zinc/31/95/07/276319507.db2.gz NAQCUYIQFVVFDE-GJZGRUSLSA-N 0 0 313.442 0.276 10 0 DCAERN O=C(Nc1cn[nH]c1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000538935503 287887473 /nfs/dbraw/zinc/88/74/73/287887473.db2.gz XUDQBHILLWQBTE-UHFFFAOYSA-N 0 0 315.333 0.824 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N(C)Cc2noc(C)n2)o1 ZINC000539751525 287893969 /nfs/dbraw/zinc/89/39/69/287893969.db2.gz VIRGBFPRPTUANZ-UHFFFAOYSA-N 0 0 314.323 0.151 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000541755934 287925782 /nfs/dbraw/zinc/92/57/82/287925782.db2.gz ZLTKPYPODIUATE-ZDUSSCGKSA-N 0 0 305.334 0.025 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000408045897 277006384 /nfs/dbraw/zinc/00/63/84/277006384.db2.gz IYYQKLAUKNXBFI-JSGCOSHPSA-N 0 0 301.346 0.298 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3ncc(C)s3)CC2)nn1 ZINC000267215036 277017515 /nfs/dbraw/zinc/01/75/15/277017515.db2.gz CERWBKOOGGYICX-UHFFFAOYSA-N 0 0 318.406 0.928 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1=O ZINC000187026567 277401495 /nfs/dbraw/zinc/40/14/95/277401495.db2.gz ZDJGAODEPDLKNB-LBPRGKRZSA-N 0 0 320.397 0.623 10 0 DCAERN CCOC(=O)c1cc(NS(=O)(=O)N2CCC[C@H]2C)[nH]n1 ZINC000545313758 287995672 /nfs/dbraw/zinc/99/56/72/287995672.db2.gz GLMPSUUCLYQMFC-MRVPVSSYSA-N 0 0 302.356 0.727 10 0 DCAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cn1ncn(C)c1=O ZINC000181436777 277945894 /nfs/dbraw/zinc/94/58/94/277945894.db2.gz HJRHLEKSVNQUAX-TZMCWYRMSA-N 0 0 316.361 0.570 10 0 DCAERN CC(C)c1cc(C(=O)N2CCN3C(=O)N(C)C(=O)[C@H]3C2)nn1C ZINC000371170082 278009255 /nfs/dbraw/zinc/00/92/55/278009255.db2.gz LQYJNQKZRQRWFL-GFCCVEGCSA-N 0 0 319.365 0.262 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CN1C1CC1 ZINC000127976968 278019881 /nfs/dbraw/zinc/01/98/81/278019881.db2.gz WQRZTUCOPJDGEJ-UTUOFQBUSA-N 0 0 315.439 0.440 10 0 DCAERN CC(=O)NCC(=O)N(C)C[C@@H]1OCCN(C)[C@@H]1c1ccccc1 ZINC000347450891 278092118 /nfs/dbraw/zinc/09/21/18/278092118.db2.gz PCXNPEFHZIZVMZ-DOTOQJQBSA-N 0 0 319.405 0.653 10 0 DCAERN CN1CC[C@H](NC(=O)Nc2cccc(N3CCOCC3)c2)C1=O ZINC000547448235 288047282 /nfs/dbraw/zinc/04/72/82/288047282.db2.gz GOGNBYINGXBMKL-AWEZNQCLSA-N 0 0 318.377 0.875 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000547449241 288047652 /nfs/dbraw/zinc/04/76/52/288047652.db2.gz SQQWJUSKFVOFHE-BFHYXJOUSA-N 0 0 301.383 0.570 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2CO)cccc1N(C)C ZINC000121244958 278602732 /nfs/dbraw/zinc/60/27/32/278602732.db2.gz NDQUDKODDRJSAI-GFCCVEGCSA-N 0 0 305.378 0.983 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cc1 ZINC000547642973 288064409 /nfs/dbraw/zinc/06/44/09/288064409.db2.gz SRHBCWORFJRXPD-AWEZNQCLSA-N 0 0 324.402 0.815 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408112775 288068301 /nfs/dbraw/zinc/06/83/01/288068301.db2.gz NROGCJKQKSPPBU-LLVKDONJSA-N 0 0 308.382 0.014 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408134569 278830355 /nfs/dbraw/zinc/83/03/55/278830355.db2.gz UQKRNSCYQZDXKR-VIFPVBQESA-N 0 0 304.334 0.818 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1 ZINC000106392980 288106404 /nfs/dbraw/zinc/10/64/04/288106404.db2.gz QAMDCPCQLMTNOG-ZDUSSCGKSA-N 0 0 313.442 0.454 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)c12 ZINC000157564985 279259219 /nfs/dbraw/zinc/25/92/19/279259219.db2.gz BCDTZPSEMXSGOK-KCJUWKMLSA-N 0 0 318.333 0.554 10 0 DCAERN Cc1oc(C(=O)N2CCS[C@@H](C)C2)cc1S(N)(=O)=O ZINC000268148596 279272393 /nfs/dbraw/zinc/27/23/93/279272393.db2.gz REDLOHQGXPCGFK-ZETCQYMHSA-N 0 0 304.393 0.813 10 0 DCAERN CC(C)N(C(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000247209441 279300831 /nfs/dbraw/zinc/30/08/31/279300831.db2.gz UNAOUBYNOWOZOX-CHWSQXEVSA-N 0 0 319.471 0.644 10 0 DCAERN CC(C)N(C(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116891721 279300926 /nfs/dbraw/zinc/30/09/26/279300926.db2.gz UNAOUBYNOWOZOX-OLZOCXBDSA-N 0 0 319.471 0.644 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2CCCc3n[nH]cc32)cn1 ZINC000181382343 279347363 /nfs/dbraw/zinc/34/73/63/279347363.db2.gz KKBCDLRGIFIPSH-WFASDCNBSA-N 0 0 314.393 0.736 10 0 DCAERN CC(C)NC(=O)CCN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000408426017 279562087 /nfs/dbraw/zinc/56/20/87/279562087.db2.gz QORHCLJJXMGBLK-STQMWFEESA-N 0 0 302.440 0.943 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000269616520 279692276 /nfs/dbraw/zinc/69/22/76/279692276.db2.gz LSQWHJMCFZABMF-NSHDSACASA-N 0 0 314.271 0.748 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000548720525 288170648 /nfs/dbraw/zinc/17/06/48/288170648.db2.gz BBSHXOLUCNCHCL-HNNXBMFYSA-N 0 0 317.349 0.624 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC000548747981 288173118 /nfs/dbraw/zinc/17/31/18/288173118.db2.gz OWCSNYLMVJXDTF-SNVBAGLBSA-N 0 0 305.382 0.660 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)COc1cnn(C)c1 ZINC000548882482 288184171 /nfs/dbraw/zinc/18/41/71/288184171.db2.gz LTMZGEJHOGCHJN-UHFFFAOYSA-N 0 0 310.398 0.368 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CS(=O)(=O)C2CC2)C[C@]12CCCO2 ZINC000333084249 280042464 /nfs/dbraw/zinc/04/24/64/280042464.db2.gz MRSOCFKBZTWWKT-UONOGXRCSA-N 0 0 301.408 0.980 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000188978862 280053235 /nfs/dbraw/zinc/05/32/35/280053235.db2.gz WEKITUULZNFUIF-YPMHNXCESA-N 0 0 306.366 0.410 10 0 DCAERN NC(=O)NC(=O)c1cccc(NC(=O)c2cn3cccnc3n2)c1 ZINC000549577094 288200451 /nfs/dbraw/zinc/20/04/51/288200451.db2.gz GVSTWNAKEPSQBY-UHFFFAOYSA-N 0 0 324.300 0.790 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279059127 280147468 /nfs/dbraw/zinc/14/74/68/280147468.db2.gz ZVMYRRUDNRUEOE-CJNGLKHVSA-N 0 0 302.330 0.565 10 0 DCAERN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923135 288208972 /nfs/dbraw/zinc/20/89/72/288208972.db2.gz CGVJJUDUZYUURO-TZMCWYRMSA-N 0 0 317.393 0.175 10 0 DCAERN CC[C@@H]1CCN1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000292101534 280312437 /nfs/dbraw/zinc/31/24/37/280312437.db2.gz UKNYVKGAYHNWMZ-JTNHKYCSSA-N 0 0 305.382 0.886 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@H]1COCCN1C)[C@@H]2C ZINC000329021964 280727972 /nfs/dbraw/zinc/72/79/72/280727972.db2.gz IDNWMRABZARCFU-VXGBXAGGSA-N 0 0 307.398 0.635 10 0 DCAERN COCC[C@H]1NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000553123228 288287804 /nfs/dbraw/zinc/28/78/04/288287804.db2.gz SZXFAFMBBPMQST-CQSZACIVSA-N 0 0 319.361 0.985 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)on1 ZINC000553926424 288310902 /nfs/dbraw/zinc/31/09/02/288310902.db2.gz PXHWNWVZXPKZLI-STQMWFEESA-N 0 0 310.398 0.934 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NCc2ncc(C)s2)[nH]n1 ZINC000554342304 288318709 /nfs/dbraw/zinc/31/87/09/288318709.db2.gz HGTFUNRXQMNPRJ-QMMMGPOBSA-N 0 0 321.406 0.847 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000185550183 281348667 /nfs/dbraw/zinc/34/86/67/281348667.db2.gz RJBAWJQROPWDIX-INIZCTEOSA-N 0 0 304.346 0.951 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CN(c3ccccc3)C2=O)cn1 ZINC000554567571 288329310 /nfs/dbraw/zinc/32/93/10/288329310.db2.gz QMTBFCHNCYSMFV-ZDUSSCGKSA-N 0 0 300.318 0.331 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000151087332 281524114 /nfs/dbraw/zinc/52/41/14/281524114.db2.gz NCWYQEUOMCEXBF-WDEREUQCSA-N 0 0 305.382 0.660 10 0 DCAERN Cc1cc(C(=O)N2CC(C)(O)C2)nn1-c1nc(C)cc(C)n1 ZINC000555107629 288344145 /nfs/dbraw/zinc/34/41/45/288344145.db2.gz QZQBRJLJOWLVFR-UHFFFAOYSA-N 0 0 301.350 0.794 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)CN2CCOCC2=O)c1 ZINC000555295205 288348387 /nfs/dbraw/zinc/34/83/87/288348387.db2.gz KFNSSIMQNLMNCV-UHFFFAOYSA-N 0 0 305.334 0.234 10 0 DCAERN Cn1[nH]c(CN2CCO[C@H](COc3ccccc3)C2)nc1=O ZINC000555448871 288351299 /nfs/dbraw/zinc/35/12/99/288351299.db2.gz XJKRHWUUQOELNJ-ZDUSSCGKSA-N 0 0 304.350 0.388 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408023180 281932807 /nfs/dbraw/zinc/93/28/07/281932807.db2.gz YBJPAFLACAEMCV-GARJFASQSA-N 0 0 313.423 0.410 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)NCCCCn2ccnc2)s1 ZINC000556654335 288380883 /nfs/dbraw/zinc/38/08/83/288380883.db2.gz GTYCIAACFDLURJ-UHFFFAOYSA-N 0 0 321.406 0.861 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000556729135 288388315 /nfs/dbraw/zinc/38/83/15/288388315.db2.gz ZEDOSBMEQDXXLN-HZPDHXFCSA-N 0 0 320.389 0.623 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)on1 ZINC000557946830 288434752 /nfs/dbraw/zinc/43/47/52/288434752.db2.gz OTIWNKQGLDJKAW-CHWSQXEVSA-N 0 0 324.381 0.461 10 0 DCAERN CCNC(=O)N1CC[C@@H](N2C(=O)[C@H]3CSCCN3C2=O)C1 ZINC000559374877 288472876 /nfs/dbraw/zinc/47/28/76/288472876.db2.gz NOJMJQKYEPKALM-NXEZZACHSA-N 0 0 312.395 0.170 10 0 DCAERN CC1(C)CCN1C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000561832001 288552426 /nfs/dbraw/zinc/55/24/26/288552426.db2.gz CUPGNFUAKKGUCE-CYBMUJFWSA-N 0 0 315.373 0.919 10 0 DCAERN CN1C[C@@H](NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1=O ZINC000562351813 288568117 /nfs/dbraw/zinc/56/81/17/288568117.db2.gz RJLVGFBZCBYHHY-LBPRGKRZSA-N 0 0 314.345 0.891 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1cnn(C)c1 ZINC000562742512 288594886 /nfs/dbraw/zinc/59/48/86/288594886.db2.gz LBNZTUNQOOMQED-LLVKDONJSA-N 0 0 312.395 0.179 10 0 DCAERN Cc1cn2ccnc(C(=O)N3CCN4CCOC[C@H]4C3)c2n1 ZINC000564622360 288753263 /nfs/dbraw/zinc/75/32/63/288753263.db2.gz RXIVBYMKIRLWNP-GFCCVEGCSA-N 0 0 301.350 0.194 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCn3nncc3C2)c1 ZINC000565185794 288826118 /nfs/dbraw/zinc/82/61/18/288826118.db2.gz PJNHMGMLWVQTBS-UHFFFAOYSA-N 0 0 313.317 0.462 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000175884531 293501708 /nfs/dbraw/zinc/50/17/08/293501708.db2.gz WAKXSGDOILIQKV-NWDGAFQWSA-N 0 0 320.397 0.587 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000089781856 297051805 /nfs/dbraw/zinc/05/18/05/297051805.db2.gz XTDQGEYJKDXFTQ-NTZNESFSSA-N 0 0 304.412 0.451 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)nc1 ZINC000126757019 295159043 /nfs/dbraw/zinc/15/90/43/295159043.db2.gz OYUZCNIZDXUQLY-MRVPVSSYSA-N 0 0 314.139 0.170 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)nc1 ZINC000261919070 295176678 /nfs/dbraw/zinc/17/66/78/295176678.db2.gz IIOZBQGUEOOMNB-CQSZACIVSA-N 0 0 311.345 0.362 10 0 DCAERN NC(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000060677704 295177462 /nfs/dbraw/zinc/17/74/62/295177462.db2.gz GCSVUFPVYWYYOT-OAHLLOKOSA-N 0 0 323.352 0.838 10 0 DCAERN CS(=O)(=O)CCN(C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)C1CC1 ZINC000249124576 295500190 /nfs/dbraw/zinc/50/01/90/295500190.db2.gz CFRKFEZHEROQSF-YNEHKIRRSA-N 0 0 316.423 0.773 10 0 DCAERN CS(=O)(=O)c1cccnc1NC[C@@H](O)CN1CCCCC1 ZINC000302664789 295562576 /nfs/dbraw/zinc/56/25/76/295562576.db2.gz JBRTYMVQLQWXKN-GFCCVEGCSA-N 0 0 313.423 0.744 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC(=O)NCC3(C)C)ccc2O1 ZINC000282094384 297497635 /nfs/dbraw/zinc/49/76/35/297497635.db2.gz SCYGJNHKVMAYEG-SNVBAGLBSA-N 0 0 324.402 0.909 10 0 DCAERN C[C@@]1(C(=O)N[C@H]2COc3ccccc3C2=O)CCC(=O)NC1 ZINC000282757480 297874118 /nfs/dbraw/zinc/87/41/18/297874118.db2.gz NYUXDXKUBAQDJX-MEDUHNTESA-N 0 0 302.330 0.663 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000249297107 298232575 /nfs/dbraw/zinc/23/25/75/298232575.db2.gz KPBHTMBCSNWDOQ-HTQZYQBOSA-N 0 0 323.358 0.634 10 0 DCAERN Cc1csc([C@H]2COCCN2C(=O)[C@@H]2CCC(=O)N2C)n1 ZINC000329525310 302449169 /nfs/dbraw/zinc/44/91/69/302449169.db2.gz SNLYTJCEBZTUSC-WDEREUQCSA-N 0 0 309.391 0.972 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000408042874 302856090 /nfs/dbraw/zinc/85/60/90/302856090.db2.gz UPRHGOVMCVGQFP-LLVKDONJSA-N 0 0 304.306 0.588 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1=O ZINC000407961553 303041562 /nfs/dbraw/zinc/04/15/62/303041562.db2.gz HYFKERMZZCFYHI-MRVWCRGKSA-N 0 0 305.378 0.936 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccccc1N1CCOCC1 ZINC000284781193 303312580 /nfs/dbraw/zinc/31/25/80/303312580.db2.gz YEDRDXOLBDHTBW-HIFRSBDPSA-N 0 0 307.369 0.921 10 0 DCAERN CC[C@@H](NC(=O)N[C@H](C)[C@@H](C)OC)C(=O)N1CCOCC1 ZINC000570894639 332835908 /nfs/dbraw/zinc/83/59/08/332835908.db2.gz UNYOYBYTUMACTH-IJLUTSLNSA-N 0 0 301.387 0.346 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1CCCSC1 ZINC000332862797 332888695 /nfs/dbraw/zinc/88/86/95/332888695.db2.gz XXKKOOADPNMCBN-RYUDHWBXSA-N 0 0 322.434 0.998 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@]2(C)CCO[C@H]2C)nn1 ZINC000332902912 332901452 /nfs/dbraw/zinc/90/14/52/332901452.db2.gz SNCIQZBXFRQYHJ-RSXIPKFTSA-N 0 0 310.354 0.162 10 0 DCAERN COC(=O)c1cnc(N2CCCC[C@H]2CN2CCOCC2)nc1 ZINC000584305374 332235157 /nfs/dbraw/zinc/23/51/57/332235157.db2.gz OASZAJNBWPYYBL-AWEZNQCLSA-N 0 0 320.393 0.954 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000570220250 332726418 /nfs/dbraw/zinc/72/64/18/332726418.db2.gz LKBJONJXUGGBAD-JQWIXIFHSA-N 0 0 302.334 0.957 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000187544493 332974633 /nfs/dbraw/zinc/97/46/33/332974633.db2.gz WVIYICBRAWBUQR-UHFFFAOYSA-N 0 0 319.336 0.959 10 0 DCAERN Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1 ZINC000584629503 337376568 /nfs/dbraw/zinc/37/65/68/337376568.db2.gz WMPLABRDXMPSBL-UHFFFAOYSA-N 0 0 316.346 0.885 10 0 DCAERN CSC1=NCCC(=O)N1CCN1C(=O)CCN=C1SC ZINC000584659407 337378180 /nfs/dbraw/zinc/37/81/80/337378180.db2.gz JDJVQNWXDBQHNK-UHFFFAOYSA-N 0 0 314.436 0.889 10 0 DCAERN COCCn1cc(Br)c(=O)n(CCOC)c1=O ZINC000584637765 337379607 /nfs/dbraw/zinc/37/96/07/337379607.db2.gz QLNYVKLVSMNQSU-UHFFFAOYSA-N 0 0 307.144 0.065 10 0 DCAERN Cc1ncccc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000584670297 337381264 /nfs/dbraw/zinc/38/12/64/337381264.db2.gz MRNLCTSVMZVFPB-OCCSQVGLSA-N 0 0 321.352 0.801 10 0 DCAERN Cc1nc2ccc(S(=O)(=O)N[C@@H]3COC[C@H]3O)cc2s1 ZINC000580517807 341790162 /nfs/dbraw/zinc/79/01/62/341790162.db2.gz TWMMQXSVDYMJCR-GHMZBOCLSA-N 0 0 314.388 0.643 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cn1C ZINC000172610963 341801790 /nfs/dbraw/zinc/80/17/90/341801790.db2.gz TXLFMOSMSYCMAH-UWVGGRQHSA-N 0 0 300.384 0.051 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@H]1O)NC1CC1 ZINC000580584506 341881920 /nfs/dbraw/zinc/88/19/20/341881920.db2.gz NELZILWJAPXYIC-PWSUYJOCSA-N 0 0 304.412 0.141 10 0 DCAERN O=C(Nc1cccc2c1CNC2=O)C(=O)N1CCCSCC1 ZINC000577525244 341915563 /nfs/dbraw/zinc/91/55/63/341915563.db2.gz VEXAKKQCCXOILH-UHFFFAOYSA-N 0 0 319.386 0.834 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCc3ncc[nH]3)no2)c1 ZINC000178902276 341970292 /nfs/dbraw/zinc/97/02/92/341970292.db2.gz QGORYMVMNIFRCF-UHFFFAOYSA-N 0 0 300.322 0.923 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)O1 ZINC000151669738 534127357 /nfs/dbraw/zinc/12/73/57/534127357.db2.gz XECAAQACGICYAF-YPMHNXCESA-N 0 0 319.361 0.227 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)NCCN1CCCS1(=O)=O ZINC000176108812 534217430 /nfs/dbraw/zinc/21/74/30/534217430.db2.gz AMYNYSKIXQMDMA-NWDGAFQWSA-N 0 0 303.428 0.852 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@H]1COc2ccccc2C1 ZINC000299612918 534273622 /nfs/dbraw/zinc/27/36/22/534273622.db2.gz IABWFCJTQLZEFY-WCQYABFASA-N 0 0 301.350 0.970 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000360183216 518016788 /nfs/dbraw/zinc/01/67/88/518016788.db2.gz ZAVNUMXLJFNISN-QLJPJBMISA-N 0 0 323.393 0.678 10 0 DCAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCO[C@@H](CO)C1 ZINC000269166140 518201759 /nfs/dbraw/zinc/20/17/59/518201759.db2.gz FTJJPOHXDXHHHO-HZSPNIEDSA-N 0 0 319.357 0.781 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC[C@H]1O ZINC000186578428 534372163 /nfs/dbraw/zinc/37/21/63/534372163.db2.gz NULAGERVEVPRSZ-XKVFNRALSA-N 0 0 317.389 0.830 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190861674 519647478 /nfs/dbraw/zinc/64/74/78/519647478.db2.gz BCNSHXOOKZZTAK-UHFFFAOYSA-N 0 0 310.379 0.552 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)Cc2ccc(C)c(F)c2)C1 ZINC000188564072 519649419 /nfs/dbraw/zinc/64/94/19/519649419.db2.gz UHDMIPNINQHPCY-UHFFFAOYSA-N 0 0 300.355 0.784 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247133744 519867127 /nfs/dbraw/zinc/86/71/27/519867127.db2.gz QSYHJWIPMODCTF-FRRDWIJNSA-N 0 0 309.410 0.938 10 0 DCAERN CCCNC(=O)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104212683 519879668 /nfs/dbraw/zinc/87/96/68/519879668.db2.gz HMBJECKRSGUQHH-UHFFFAOYSA-N 0 0 322.756 0.572 10 0 DCAERN CCN(C(=O)c1cnn2ccc(C)nc12)[C@@H](C)CS(C)(=O)=O ZINC000114133944 520120006 /nfs/dbraw/zinc/12/00/06/520120006.db2.gz APZVJRPUAZZUAX-NSHDSACASA-N 0 0 324.406 0.933 10 0 DCAERN CC1(C)CN(CC(=O)NCc2ccco2)CCS1(=O)=O ZINC000155152918 520464307 /nfs/dbraw/zinc/46/43/07/520464307.db2.gz YSOVXVJUEIGEOB-UHFFFAOYSA-N 0 0 300.380 0.405 10 0 DCAERN CCCOc1ncccc1CNC(=O)N1CC(NC(C)=O)C1 ZINC000189955519 520496642 /nfs/dbraw/zinc/49/66/42/520496642.db2.gz IJQBVIMPMFLMEG-UHFFFAOYSA-N 0 0 306.366 0.900 10 0 DCAERN CC1(C)[C@H](NC(=O)NCCNC(=O)c2ccccc2)C[C@@H]1O ZINC000190129817 520656586 /nfs/dbraw/zinc/65/65/86/520656586.db2.gz QBIBSAQBPUUNST-OLZOCXBDSA-N 0 0 305.378 0.875 10 0 DCAERN CC1(CNC(=O)c2cccc(-n3cnnn3)c2)OCCCO1 ZINC000191104155 520731626 /nfs/dbraw/zinc/73/16/26/520731626.db2.gz CVXLYIWTQYVTMQ-UHFFFAOYSA-N 0 0 303.322 0.545 10 0 DCAERN NC(=O)c1coc(CNC(=O)C(=O)Nc2cc(F)ccc2F)c1 ZINC000189648927 534514134 /nfs/dbraw/zinc/51/41/34/534514134.db2.gz SSVGXAPNYQPGGI-UHFFFAOYSA-N 0 0 323.255 0.912 10 0 DCAERN CCN(CC)c1ccc(CNC(=O)N2CC(NC(C)=O)C2)cn1 ZINC000189793612 520898111 /nfs/dbraw/zinc/89/81/11/520898111.db2.gz BGJSXLSEWGCJTB-UHFFFAOYSA-N 0 0 319.409 0.958 10 0 DCAERN CCCCc1cc(NC(=O)C2CC3(C2)NC(=O)NC3=O)n[nH]1 ZINC000156291394 521259704 /nfs/dbraw/zinc/25/97/04/521259704.db2.gz HQVCBHGFPIFXCG-UHFFFAOYSA-N 0 0 305.338 0.679 10 0 DCAERN CCN1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)c2ccccc21 ZINC000247728082 521677083 /nfs/dbraw/zinc/67/70/83/521677083.db2.gz TVDOBTKEZDYFDA-CYBMUJFWSA-N 0 0 318.421 0.926 10 0 DCAERN CCS[C@H](C)c1noc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000247938498 521729190 /nfs/dbraw/zinc/72/91/90/521729190.db2.gz CTAWIYTVKFMTIA-OPRDCNLKSA-N 0 0 314.411 0.958 10 0 DCAERN COc1c(C)cc(S(=O)(=O)N2CC(NC(C)=O)C2)cc1C ZINC000188555587 521797421 /nfs/dbraw/zinc/79/74/21/521797421.db2.gz MGTQOUOUCRXPNN-UHFFFAOYSA-N 0 0 312.391 0.821 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](Cn3cncn3)C2)nn1 ZINC000266862610 521833062 /nfs/dbraw/zinc/83/30/62/521833062.db2.gz XHCOXMITEYMWEK-LLVKDONJSA-N 0 0 301.354 0.344 10 0 DCAERN CNC(=O)c1cccnc1NC[C@H]1CCCN1S(C)(=O)=O ZINC000157466550 521919847 /nfs/dbraw/zinc/91/98/47/521919847.db2.gz BQCKLUDPWKJVED-SNVBAGLBSA-N 0 0 312.395 0.277 10 0 DCAERN CN(C)[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000189946896 522014848 /nfs/dbraw/zinc/01/48/48/522014848.db2.gz NBQFNVBOPYMTNR-ZDUSSCGKSA-N 0 0 320.393 0.802 10 0 DCAERN CN(C)[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000189946920 522075534 /nfs/dbraw/zinc/07/55/34/522075534.db2.gz NBQFNVBOPYMTNR-CYBMUJFWSA-N 0 0 320.393 0.802 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000152917129 522190225 /nfs/dbraw/zinc/19/02/25/522190225.db2.gz OQAJEDLHANVPQM-GHMZBOCLSA-N 0 0 306.366 0.231 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000190417239 522199841 /nfs/dbraw/zinc/19/98/41/522199841.db2.gz AGJMLSMCSZQVHM-SECBINFHSA-N 0 0 315.399 0.525 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000190417224 522201292 /nfs/dbraw/zinc/20/12/92/522201292.db2.gz AGJMLSMCSZQVHM-VIFPVBQESA-N 0 0 315.399 0.525 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000364891665 522245008 /nfs/dbraw/zinc/24/50/08/522245008.db2.gz DKJNSNANCQASQI-AXFHLTTASA-N 0 0 307.416 0.133 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCC(n2cncn2)CC1 ZINC000156628595 522561777 /nfs/dbraw/zinc/56/17/77/522561777.db2.gz JXJZILWUTMPTNW-UHFFFAOYSA-N 0 0 305.304 0.936 10 0 DCAERN CC[C@@H](CO)NC(=O)c1cnn2cc(Br)cnc12 ZINC000188269666 522573937 /nfs/dbraw/zinc/57/39/37/522573937.db2.gz RUQOEMKIWPGZHN-QMMMGPOBSA-N 0 0 313.155 0.993 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000130126992 522718757 /nfs/dbraw/zinc/71/87/57/522718757.db2.gz JNKWIROKDVQBPR-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Cl)nc2)C1 ZINC000188446280 522758535 /nfs/dbraw/zinc/75/85/35/522758535.db2.gz BLTQWIXHAASOBM-UHFFFAOYSA-N 0 0 312.757 0.391 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccccc2F)C1 ZINC000188209374 522758842 /nfs/dbraw/zinc/75/88/42/522758842.db2.gz XAFWNAPBQRQJQD-UHFFFAOYSA-N 0 0 309.341 0.525 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000154868649 523051723 /nfs/dbraw/zinc/05/17/23/523051723.db2.gz FOOYJCVJTQSMDT-WDEREUQCSA-N 0 0 306.428 0.588 10 0 DCAERN COC(=O)CNC(=O)c1ccc(NCc2nccn2C)cc1 ZINC000162645972 523204588 /nfs/dbraw/zinc/20/45/88/523204588.db2.gz GKNJJPZQDMOUMZ-UHFFFAOYSA-N 0 0 302.334 0.935 10 0 DCAERN COCCCOCC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373695164 523395072 /nfs/dbraw/zinc/39/50/72/523395072.db2.gz LMVHCPDHSQCVDO-OAHLLOKOSA-N 0 0 301.383 0.836 10 0 DCAERN CCn1cc(NC(=O)C(=O)N(C)[C@@H](CO)CC(C)C)ccc1=O ZINC000191093362 523403206 /nfs/dbraw/zinc/40/32/06/523403206.db2.gz KJBCKHYRUKRSOO-CYBMUJFWSA-N 0 0 323.393 0.672 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CN3CCCC3=O)CCO2)cn1 ZINC000191714490 523480869 /nfs/dbraw/zinc/48/08/69/523480869.db2.gz JPSBYOLOTMBFGM-CYBMUJFWSA-N 0 0 306.366 0.425 10 0 DCAERN CCn1cc([C@H]2CN(CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738986 523482024 /nfs/dbraw/zinc/48/20/24/523482024.db2.gz SUUSBDCXDDUKNY-GFCCVEGCSA-N 0 0 309.370 0.122 10 0 DCAERN COc1ccc(C(=O)N2CC(CO)C2)nc1Br ZINC000122234631 523620816 /nfs/dbraw/zinc/62/08/16/523620816.db2.gz MGRQWZJZHWNXSV-UHFFFAOYSA-N 0 0 301.140 0.917 10 0 DCAERN COc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c(OC)c1 ZINC000188811700 523646447 /nfs/dbraw/zinc/64/64/47/523646447.db2.gz RRMJAVHVODRODM-LBPRGKRZSA-N 0 0 308.378 0.842 10 0 DCAERN CCc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)[nH]n1 ZINC000365855224 523774732 /nfs/dbraw/zinc/77/47/32/523774732.db2.gz MVWPHXZXIGIWPE-LBPRGKRZSA-N 0 0 306.366 0.482 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NCc1cccnc1 ZINC000191167610 523812606 /nfs/dbraw/zinc/81/26/06/523812606.db2.gz RXSFSLLTNZOVFM-YCPHGPKFSA-N 0 0 317.389 0.971 10 0 DCAERN CN1CC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2F)C1=O ZINC000157066645 523966489 /nfs/dbraw/zinc/96/64/89/523966489.db2.gz IMKMJJOVQCTBEG-CYBMUJFWSA-N 0 0 319.336 0.913 10 0 DCAERN CO[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC[C@@H]1C ZINC000187862697 524006480 /nfs/dbraw/zinc/00/64/80/524006480.db2.gz KIERBLSTJKDONG-CABZTGNLSA-N 0 0 317.349 0.325 10 0 DCAERN CCc1ccc(S(=O)(=O)N(C)CC(C)(CO)CO)s1 ZINC000128871936 524011099 /nfs/dbraw/zinc/01/10/99/524011099.db2.gz ARJMBBPVPOKOFS-UHFFFAOYSA-N 0 0 307.437 0.922 10 0 DCAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(NC(C)=O)C1 ZINC000190469248 524019053 /nfs/dbraw/zinc/01/90/53/524019053.db2.gz YSBSQZSDLCCZQC-UHFFFAOYSA-N 0 0 324.402 0.613 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000131545492 524075125 /nfs/dbraw/zinc/07/51/25/524075125.db2.gz KTLHAWCZPBAXJL-NWDGAFQWSA-N 0 0 308.378 0.487 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1 ZINC000190355113 524076348 /nfs/dbraw/zinc/07/63/48/524076348.db2.gz GGRFCYYVWFTWRE-ZYHUDNBSSA-N 0 0 309.370 0.518 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000188673127 524312189 /nfs/dbraw/zinc/31/21/89/524312189.db2.gz POROXBXCQXYHDH-LKFCYVNXSA-N 0 0 324.352 0.726 10 0 DCAERN Cc1ccc(CN(C)C(=O)NCCNC(=O)c2ccn[nH]2)o1 ZINC000194352480 524368391 /nfs/dbraw/zinc/36/83/91/524368391.db2.gz KAOPBMKSZBHPRQ-UHFFFAOYSA-N 0 0 305.338 0.883 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000119740587 524388142 /nfs/dbraw/zinc/38/81/42/524388142.db2.gz OIXWGZWXVCYDTC-ONGXEEELSA-N 0 0 304.350 0.903 10 0 DCAERN C[C@H](CNC(=O)N1CCN(C2CC2)CC1)CN1CCOCC1 ZINC000163552446 524401821 /nfs/dbraw/zinc/40/18/21/524401821.db2.gz PXSURWVSXSTYEI-CQSZACIVSA-N 0 0 310.442 0.444 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000188163412 524468466 /nfs/dbraw/zinc/46/84/66/524468466.db2.gz DAUMKGRRUMGLKY-LSDHHAIUSA-N 0 0 319.405 0.818 10 0 DCAERN C[C@H](CO)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188341330 524537899 /nfs/dbraw/zinc/53/78/99/524537899.db2.gz ADKNGWSHDHDMMS-BXUZGUMPSA-N 0 0 323.368 0.949 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000193388937 524571356 /nfs/dbraw/zinc/57/13/56/524571356.db2.gz HKCFXNGJPYEHBJ-LBPRGKRZSA-N 0 0 314.349 0.784 10 0 DCAERN C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132289363 524905761 /nfs/dbraw/zinc/90/57/61/524905761.db2.gz CTEIOFMCOBQCHI-BBRMVZONSA-N 0 0 324.396 0.814 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000159165884 525049479 /nfs/dbraw/zinc/04/94/79/525049479.db2.gz NYZLSACATOZCGQ-SECBINFHSA-N 0 0 307.368 0.633 10 0 DCAERN Cc1cc(NC(=O)CNC(=O)c2cccnc2)ccc1C(N)=O ZINC000163268745 525147955 /nfs/dbraw/zinc/14/79/55/525147955.db2.gz QOCBTTIUYYXCEV-UHFFFAOYSA-N 0 0 312.329 0.857 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000116872962 525210232 /nfs/dbraw/zinc/21/02/32/525210232.db2.gz HCRWWNXXLSKHAO-SSDOTTSWSA-N 0 0 310.301 0.623 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2F)C1 ZINC000131572328 525211399 /nfs/dbraw/zinc/21/13/99/525211399.db2.gz FCVWYSASVGHWEN-SSDOTTSWSA-N 0 0 322.308 0.868 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000116892068 525214195 /nfs/dbraw/zinc/21/41/95/525214195.db2.gz QDOBCZGJFGIWBJ-LBPRGKRZSA-N 0 0 321.406 0.391 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)NCC2(CCO)CC2)cc1 ZINC000157590158 525216757 /nfs/dbraw/zinc/21/67/57/525216757.db2.gz JUDICXJQASFRFJ-UHFFFAOYSA-N 0 0 312.391 0.951 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000246896664 525244461 /nfs/dbraw/zinc/24/44/61/525244461.db2.gz BYFJEXFGFNUSER-HBNTYKKESA-N 0 0 307.350 0.558 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1F ZINC000159170805 525549124 /nfs/dbraw/zinc/54/91/24/525549124.db2.gz KWMQWANRFZWBSA-JTQLQIEISA-N 0 0 321.395 0.942 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000162126390 525585369 /nfs/dbraw/zinc/58/53/69/525585369.db2.gz HQMUVIZKFCGQCG-ZJUUUORDSA-N 0 0 318.420 0.586 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@]1(O)CCc2ccccc21 ZINC000190319527 525593280 /nfs/dbraw/zinc/59/32/80/525593280.db2.gz MFXSTUTXJXNSEA-NILFDRSVSA-N 0 0 311.403 0.917 10 0 DCAERN O=S1(=O)N=C(NCc2ccnc3ccnn32)c2ccccc21 ZINC000302038891 534877760 /nfs/dbraw/zinc/87/77/60/534877760.db2.gz KWEDWXNBGKCKDO-UHFFFAOYSA-N 0 0 313.342 0.968 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000187163737 525766317 /nfs/dbraw/zinc/76/63/17/525766317.db2.gz DMOXMSFTLQDSLY-SNVBAGLBSA-N 0 0 320.324 0.837 10 0 DCAERN C[C@@]1(c2cccnc2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000158500907 525905212 /nfs/dbraw/zinc/90/52/12/525905212.db2.gz SFZPSDGSZUDQIW-KWQFWETISA-N 0 0 303.240 0.772 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000128709113 525974985 /nfs/dbraw/zinc/97/49/85/525974985.db2.gz XZMNLBWXRIENJL-ZIAGYGMSSA-N 0 0 305.378 0.948 10 0 DCAERN C[C@H](c1cccnc1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545486 526132598 /nfs/dbraw/zinc/13/25/98/526132598.db2.gz VNDNWSWYVFZGGD-TZMCWYRMSA-N 0 0 304.394 0.798 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)CC1(CO)CC1)C2=O ZINC000189143878 526138972 /nfs/dbraw/zinc/13/89/72/526138972.db2.gz XWEQWMDGGKCLJM-UHFFFAOYSA-N 0 0 316.357 0.822 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCC(=O)OCC3CC3)no2)c1 ZINC000127694742 526265203 /nfs/dbraw/zinc/26/52/03/526265203.db2.gz LDMVXFMWDNUDSY-UHFFFAOYSA-N 0 0 318.333 0.911 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)NCc2cc(C(N)=O)co2)CC1=O ZINC000187452186 526297720 /nfs/dbraw/zinc/29/77/20/526297720.db2.gz LUJGUEVCDNQYDU-SNVBAGLBSA-N 0 0 322.365 0.577 10 0 DCAERN O=C(CCc1cccc2c1OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000364265615 526604391 /nfs/dbraw/zinc/60/43/91/526604391.db2.gz HWGMSTHARKWJMT-AWEZNQCLSA-N 0 0 318.373 0.891 10 0 DCAERN Cc1noc(CCNC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 ZINC000190717585 526608980 /nfs/dbraw/zinc/60/89/80/526608980.db2.gz GQMAHTBDSDWXOC-GFCCVEGCSA-N 0 0 301.306 0.625 10 0 DCAERN Cc1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535512 526645000 /nfs/dbraw/zinc/64/50/00/526645000.db2.gz NTCVXCYSWNJKRO-GXFFZTMASA-N 0 0 320.393 0.179 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)n1 ZINC000128852392 526667582 /nfs/dbraw/zinc/66/75/82/526667582.db2.gz FTLONTIAJSBHES-RYUDHWBXSA-N 0 0 321.381 0.888 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000331965873 526677734 /nfs/dbraw/zinc/67/77/34/526677734.db2.gz VTAFRDXNPCIGIB-VXGBXAGGSA-N 0 0 300.424 0.821 10 0 DCAERN O=C(NCc1cccc(N2CCCC2=O)c1)N1CC(CO)C1 ZINC000191072294 526720793 /nfs/dbraw/zinc/72/07/93/526720793.db2.gz DNGUWVKMRLDAFY-UHFFFAOYSA-N 0 0 303.362 0.947 10 0 DCAERN Cc1oc2nc(CN(C[C@@H](C)O)[C@H](C)CO)nc(N)c2c1C ZINC000248975330 526790227 /nfs/dbraw/zinc/79/02/27/526790227.db2.gz UHIALMIXKFCQED-RKDXNWHRSA-N 0 0 308.382 0.985 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000364829499 526792039 /nfs/dbraw/zinc/79/20/39/526792039.db2.gz KQGMIIJLHPBQMH-GFCCVEGCSA-N 0 0 308.309 0.624 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)C2)no1 ZINC000267701255 526918625 /nfs/dbraw/zinc/91/86/25/526918625.db2.gz RNUFNLBLPKAATJ-RYUDHWBXSA-N 0 0 321.381 0.573 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)O1 ZINC000365028597 526975688 /nfs/dbraw/zinc/97/56/88/526975688.db2.gz OPGRYSYKCDGDIT-GARJFASQSA-N 0 0 309.391 0.882 10 0 DCAERN Cn1cc(CCNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000158171931 527191176 /nfs/dbraw/zinc/19/11/76/527191176.db2.gz WJOZIKLSWLWBEY-UHFFFAOYSA-N 0 0 314.411 0.181 10 0 DCAERN Cn1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)ccc1=O ZINC000151584308 527266858 /nfs/dbraw/zinc/26/68/58/527266858.db2.gz CHABBTZLBFIRPK-VXGBXAGGSA-N 0 0 304.350 0.660 10 0 DCAERN O=S(=O)(c1ccc(N2CCC[C@H]2CO)nc1)N1CCCC1 ZINC000266357344 527278159 /nfs/dbraw/zinc/27/81/59/527278159.db2.gz KGLXDTDJHGIEBZ-LBPRGKRZSA-N 0 0 311.407 0.827 10 0 DCAERN Cn1cnc2c1c(=O)n(CCCSCCCF)c(=O)n2C ZINC000162089525 527495441 /nfs/dbraw/zinc/49/54/41/527495441.db2.gz PVZAZTQBZAMUJQ-UHFFFAOYSA-N 0 0 314.386 0.917 10 0 DCAERN O=C(Nc1nnc(C(F)(F)F)s1)N1CCO[C@@H](CO)C1 ZINC000267446273 527533242 /nfs/dbraw/zinc/53/32/42/527533242.db2.gz LJYKGGKADBUPLM-RXMQYKEDSA-N 0 0 312.273 0.782 10 0 DCAERN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CC(CO)C1 ZINC000184224707 527643646 /nfs/dbraw/zinc/64/36/46/527643646.db2.gz AQWXJZPJXKRVOC-NSHDSACASA-N 0 0 300.424 0.775 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCC1(C)OCCCO1 ZINC000192222192 527656459 /nfs/dbraw/zinc/65/64/59/527656459.db2.gz AJLFQOLMFZIHPJ-UHFFFAOYSA-N 0 0 303.384 0.468 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000174491130 527831170 /nfs/dbraw/zinc/83/11/70/527831170.db2.gz UKLHOTVHMHQSEL-CYBMUJFWSA-N 0 0 308.444 0.618 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)CCCCC(N)=O)C1(C)C ZINC000188866471 528114171 /nfs/dbraw/zinc/11/41/71/528114171.db2.gz JIICOEPJTVNORF-NHYWBVRUSA-N 0 0 300.399 0.714 10 0 DCAERN CC(C)Oc1nccnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC000302009549 528287262 /nfs/dbraw/zinc/28/72/62/528287262.db2.gz BWPDOAHNOSROMO-UHFFFAOYSA-N 0 0 319.409 0.664 10 0 DCAERN CCCCNC(=O)[C@@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000176574999 528525410 /nfs/dbraw/zinc/52/54/10/528525410.db2.gz WXEULZJPQCEKAH-CFMSYZGJSA-N 0 0 301.416 0.808 10 0 DCAERN CC(C)[C@@H](O)CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000158422563 528613564 /nfs/dbraw/zinc/61/35/64/528613564.db2.gz APFNTNZVGYFUFD-NEPJUHHUSA-N 0 0 300.424 0.821 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC(C(=O)NCC)C1 ZINC000153840954 528838852 /nfs/dbraw/zinc/83/88/52/528838852.db2.gz PMLKNKSORWDZOV-GFCCVEGCSA-N 0 0 312.414 0.459 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)CN1CCCC1=O ZINC000188848222 528890416 /nfs/dbraw/zinc/89/04/16/528890416.db2.gz OWPMMRVKSCWTKF-LLVKDONJSA-N 0 0 321.381 0.359 10 0 DCAERN CCN(C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)C(C)C ZINC000299738707 528983050 /nfs/dbraw/zinc/98/30/50/528983050.db2.gz FLEJLVBFFVEABS-LLVKDONJSA-N 0 0 308.386 0.864 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2cnn(C)c2)CC[S@@]1=O ZINC000184304313 529085565 /nfs/dbraw/zinc/08/55/65/529085565.db2.gz UKHZDULDUDQVAU-LJQANCHMSA-N 0 0 319.452 0.732 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](C)SC)CC12COC2 ZINC000454703730 535667945 /nfs/dbraw/zinc/66/79/45/535667945.db2.gz AECXUZDOXSAYNP-WDEREUQCSA-N 0 0 316.423 0.959 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2c[nH]nc2C)CC12COC2 ZINC000457797375 535668041 /nfs/dbraw/zinc/66/80/41/535668041.db2.gz RHKFRSVEVHYNGR-GFCCVEGCSA-N 0 0 322.365 0.439 10 0 DCAERN COC[C@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)CC(C)(C)O1 ZINC000285079552 536581409 /nfs/dbraw/zinc/58/14/09/536581409.db2.gz PQEXRAKIUKVQBA-GFCCVEGCSA-N 0 0 323.393 0.663 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)OC)c1 ZINC000457704402 536880941 /nfs/dbraw/zinc/88/09/41/536880941.db2.gz KFBGLLODFHSMBY-OLZOCXBDSA-N 0 0 321.329 0.530 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1cnc2n(c1=O)CCS2 ZINC000025705441 545642835 /nfs/dbraw/zinc/64/28/35/545642835.db2.gz MENKATZMMOBUPG-UHFFFAOYSA-N 0 0 322.390 0.091 10 0 DCAERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1S(N)(=O)=O ZINC000072895719 545663211 /nfs/dbraw/zinc/66/32/11/545663211.db2.gz UJWMOXCHZXQDNM-GHMZBOCLSA-N 0 0 312.391 0.892 10 0 DCAERN O=C1CC[C@@H](CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000079925782 545688462 /nfs/dbraw/zinc/68/84/62/545688462.db2.gz GWHNGPODWAQLNJ-JQWIXIFHSA-N 0 0 312.366 0.912 10 0 DCAERN Cn1nnnc1CCNC(=O)c1cccc(Br)c1 ZINC000082354038 545696365 /nfs/dbraw/zinc/69/63/65/545696365.db2.gz PMBBYJFGNMWIPI-UHFFFAOYSA-N 0 0 310.155 0.945 10 0 DCAERN Cn1nnnc1CCNC(=O)c1ccc(Br)cc1 ZINC000082354039 545696767 /nfs/dbraw/zinc/69/67/67/545696767.db2.gz IKEPFUSLGKIGNG-UHFFFAOYSA-N 0 0 310.155 0.945 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cscn2)O1 ZINC000091630613 545718983 /nfs/dbraw/zinc/71/89/83/545718983.db2.gz AHOGGOZDXYXTAW-MNOVXSKESA-N 0 0 312.395 0.578 10 0 DCAERN O=C(CN1CCN(Cc2cncnc2)CC1)N1CCCCC1 ZINC000121839943 545750467 /nfs/dbraw/zinc/75/04/67/545750467.db2.gz UFNAJRZSPXJHJR-UHFFFAOYSA-N 0 0 303.410 0.607 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCN(Cc2cncnc2)CC1 ZINC000131487723 545791669 /nfs/dbraw/zinc/79/16/69/545791669.db2.gz FTSSAZNTQJFBHC-AWEZNQCLSA-N 0 0 321.425 0.135 10 0 DCAERN Cc1cc(N2CCN(Cc3cncnc3)CC2)n2ncnc2n1 ZINC000133894789 545800179 /nfs/dbraw/zinc/80/01/79/545800179.db2.gz SJBCCCOUGPZRGR-UHFFFAOYSA-N 0 0 310.365 0.545 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1(CCO)CC1 ZINC000157612051 545852513 /nfs/dbraw/zinc/85/25/13/545852513.db2.gz GZHBACWYJUANQJ-NSHDSACASA-N 0 0 304.412 0.079 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)n(C)n1 ZINC000173903535 545884803 /nfs/dbraw/zinc/88/48/03/545884803.db2.gz YXAHPHWLJUWBRV-ZDUSSCGKSA-N 0 0 307.398 0.921 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 ZINC000176099862 545888155 /nfs/dbraw/zinc/88/81/55/545888155.db2.gz HOTLXXVWTBBSGP-YGRLFVJLSA-N 0 0 304.346 0.809 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC000178133815 545894251 /nfs/dbraw/zinc/89/42/51/545894251.db2.gz HVXDXJYGQIMSOX-UHFFFAOYSA-N 0 0 301.350 0.419 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000178139538 545895343 /nfs/dbraw/zinc/89/53/43/545895343.db2.gz XBOLZTIVFQKHOI-NSHDSACASA-N 0 0 319.361 0.223 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCCCNC3=O)no2)c1 ZINC000179288677 545898249 /nfs/dbraw/zinc/89/82/49/545898249.db2.gz USHRXDRYNJHWRS-GFCCVEGCSA-N 0 0 317.349 0.626 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ccc(Cl)cn2)cn1 ZINC000179829608 545900423 /nfs/dbraw/zinc/90/04/23/545900423.db2.gz CGOLYWHVAOAXPF-UHFFFAOYSA-N 0 0 322.756 0.999 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000182480072 545905676 /nfs/dbraw/zinc/90/56/76/545905676.db2.gz HKMWSVYUWUHKAF-VXGBXAGGSA-N 0 0 306.370 0.121 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCn1ccnn1 ZINC000182876997 545906336 /nfs/dbraw/zinc/90/63/36/545906336.db2.gz YPSUTCCAIWLUOQ-NSHDSACASA-N 0 0 318.385 0.656 10 0 DCAERN C[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCCO1 ZINC000183122968 545907584 /nfs/dbraw/zinc/90/75/84/545907584.db2.gz JHJMXXFDFBLWNS-KBPBESRZSA-N 0 0 313.442 0.371 10 0 DCAERN CCOc1cnc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cn1 ZINC000187285279 545916338 /nfs/dbraw/zinc/91/63/38/545916338.db2.gz PYPKUAFMSATENQ-ZDUSSCGKSA-N 0 0 312.329 0.932 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@H]1c1ccccc1 ZINC000223224758 545943123 /nfs/dbraw/zinc/94/31/23/545943123.db2.gz WXUJGKPGOVCCPX-CABCVRRESA-N 0 0 318.373 0.474 10 0 DCAERN C[C@@](O)(CO)CNc1ncccc1I ZINC000307298363 546020908 /nfs/dbraw/zinc/02/09/08/546020908.db2.gz QUBMEKRPZNAOCH-VIFPVBQESA-N 0 0 308.119 0.841 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000312258988 546022509 /nfs/dbraw/zinc/02/25/09/546022509.db2.gz GUMUBVHLHRYYLM-LLVKDONJSA-N 0 0 322.745 0.090 10 0 DCAERN COCc1nc2n(n1)C[C@H](N1C(=O)N3CCC[C@]3(C)C1=O)CC2 ZINC000329434790 546048704 /nfs/dbraw/zinc/04/87/04/546048704.db2.gz JGZHRNNSJQXXFP-MEBBXXQBSA-N 0 0 319.365 0.556 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000329665880 546053632 /nfs/dbraw/zinc/05/36/32/546053632.db2.gz KQNFUFKAYXXUPY-FDYHWXHSSA-N 0 0 308.378 0.797 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1COCCO1)CC2 ZINC000332866158 546064425 /nfs/dbraw/zinc/06/44/25/546064425.db2.gz UFKAFBFWBBZNHK-RYUDHWBXSA-N 0 0 323.397 0.431 10 0 DCAERN Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(=O)n1C ZINC000333006783 546068958 /nfs/dbraw/zinc/06/89/58/546068958.db2.gz OTOIDCAZWVMCPV-BFHYXJOUSA-N 0 0 305.378 0.606 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000333137273 546072409 /nfs/dbraw/zinc/07/24/09/546072409.db2.gz JPKXHWBQHFXNEM-QEJZJMRPSA-N 0 0 311.426 0.916 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000333543891 546084025 /nfs/dbraw/zinc/08/40/25/546084025.db2.gz ORADWSCVRULMBY-QWRGUYRKSA-N 0 0 301.368 0.254 10 0 DCAERN C[C@]1(F)CNCCN(C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000333730794 546089692 /nfs/dbraw/zinc/08/96/92/546089692.db2.gz HTHBQGJZXSCACR-AWEZNQCLSA-N 0 0 314.405 0.194 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCNC1=O ZINC000333732955 546090907 /nfs/dbraw/zinc/09/09/07/546090907.db2.gz QAPVBQDIJMEZCN-NXEZZACHSA-N 0 0 306.370 0.253 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000401890812 546226189 /nfs/dbraw/zinc/22/61/89/546226189.db2.gz NUINPIZKYXEMTN-CYBMUJFWSA-N 0 0 303.355 0.988 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000405212350 546227595 /nfs/dbraw/zinc/22/75/95/546227595.db2.gz DJDGHMCBYAXRIS-UONOGXRCSA-N 0 0 324.402 0.329 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cn[nH]n1 ZINC000622165932 546322171 /nfs/dbraw/zinc/32/21/71/546322171.db2.gz XNMDSTDNNAZVIQ-SMDDNHRTSA-N 0 0 316.365 0.592 10 0 DCAERN O[C@]1(Cn2ccnn2)CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000671553145 547248541 /nfs/dbraw/zinc/24/85/41/547248541.db2.gz JRDWLMRXHFJDKP-OAHLLOKOSA-N 0 0 318.381 0.956 10 0 DCAERN CCN1[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256626 548749525 /nfs/dbraw/zinc/74/95/25/548749525.db2.gz YJAKPEKOYIBREI-CYBMUJFWSA-N 0 0 318.395 0.600 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725272985 548750036 /nfs/dbraw/zinc/75/00/36/548750036.db2.gz WXGAIUOCOZNYPJ-GXSJLCMTSA-N 0 0 318.468 0.875 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000249310020 661545962 /nfs/dbraw/zinc/54/59/62/661545962.db2.gz NVVCASQCUDCNCP-NEPJUHHUSA-N 0 0 310.316 0.828 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H](CO)COC(C)C ZINC000432625998 662915570 /nfs/dbraw/zinc/91/55/70/662915570.db2.gz DZUSRXVPQWZPAA-RYUDHWBXSA-N 0 0 304.412 0.152 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NC[C@@]1(OC(C)C)CCOC1 ZINC000722357123 660948423 /nfs/dbraw/zinc/94/84/23/660948423.db2.gz UOMXOYVJZHTIKT-LBPRGKRZSA-N 0 0 303.384 0.581 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)Nc1ccc2nccn2c1 ZINC000738947281 661158074 /nfs/dbraw/zinc/15/80/74/661158074.db2.gz ACQCGYDUJHDTMR-UHFFFAOYSA-N 0 0 311.367 0.395 10 0 DCAERN Cc1[nH]nc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c1C ZINC000888094239 661160965 /nfs/dbraw/zinc/16/09/65/661160965.db2.gz GKSNAYSTAFZCII-NWDGAFQWSA-N 0 0 305.338 0.336 10 0 DCAERN CCc1c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)nnn1CC ZINC000888094702 661162291 /nfs/dbraw/zinc/16/22/91/661162291.db2.gz IBSADVYFBNFBOX-VXGBXAGGSA-N 0 0 308.382 0.520 10 0 DCAERN Cc1oc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cc1CO ZINC000888094857 661162948 /nfs/dbraw/zinc/16/29/48/661162948.db2.gz GCFQWPAVUQGNIB-GXTWGEPZSA-N 0 0 321.333 0.390 10 0 DCAERN COc1cc(CC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)ccn1 ZINC000888095050 661164470 /nfs/dbraw/zinc/16/44/70/661164470.db2.gz QKNRTFWISFRLKQ-CHWSQXEVSA-N 0 0 306.362 0.679 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1cnn(C)c1 ZINC000179928743 665413476 /nfs/dbraw/zinc/41/34/76/665413476.db2.gz XQTAMJWGSICGKQ-LLVKDONJSA-N 0 0 301.368 0.530 10 0 DCAERN CCOC(=O)[C@@H](NCCNS(C)(=O)=O)c1ccccc1 ZINC000068946302 665454192 /nfs/dbraw/zinc/45/41/92/665454192.db2.gz QKZPDDAYCNVTHB-LBPRGKRZSA-N 0 0 300.380 0.430 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255093391 657467169 /nfs/dbraw/zinc/46/71/69/657467169.db2.gz OJCPKFGUFPHMJU-YRBHFNIASA-N 0 0 310.419 0.986 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000121008260 657475394 /nfs/dbraw/zinc/47/53/94/657475394.db2.gz UVPLQTNZFSTYTN-NSHDSACASA-N 0 0 305.382 0.866 10 0 DCAERN COC(=O)[C@@H]1CCCN(Cn2c3cnccc3n(C)c2=O)C1 ZINC000160190004 657476216 /nfs/dbraw/zinc/47/62/16/657476216.db2.gz FGHAQWAZZLTTNQ-LLVKDONJSA-N 0 0 304.350 0.578 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000176032864 657528912 /nfs/dbraw/zinc/52/89/12/657528912.db2.gz OKMGYKSHKXODOX-VXGBXAGGSA-N 0 0 305.444 0.545 10 0 DCAERN COC(=O)[C@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255140822 657762126 /nfs/dbraw/zinc/76/21/26/657762126.db2.gz CPKYNQGKVRLKMZ-NEPJUHHUSA-N 0 0 322.409 0.955 10 0 DCAERN O=C(c1cccc2c1NC(=O)CO2)N1CCC2(CC1)OCCO2 ZINC000074731092 657794337 /nfs/dbraw/zinc/79/43/37/657794337.db2.gz ZXOUPPKOCGJOFQ-UHFFFAOYSA-N 0 0 318.329 0.997 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCN1CCOC(C)(C)C1 ZINC000725729298 657849342 /nfs/dbraw/zinc/84/93/42/657849342.db2.gz QXYONAZVBZTTGA-LBPRGKRZSA-N 0 0 315.439 0.135 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(Br)c(F)c1 ZINC000096731261 658017947 /nfs/dbraw/zinc/01/79/47/658017947.db2.gz LALFUWXMFHROSZ-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN CO[C@H]1CC[C@@H]1N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000724184754 658039780 /nfs/dbraw/zinc/03/97/80/658039780.db2.gz OZQCPOOOPMMDKC-IUCAKERBSA-N 0 0 304.393 0.645 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2c3c(nn2C)CCC3)O1 ZINC000287272422 658066284 /nfs/dbraw/zinc/06/62/84/658066284.db2.gz QWBFDLICGXMXOU-NWDGAFQWSA-N 0 0 306.366 0.483 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721587955 658173728 /nfs/dbraw/zinc/17/37/28/658173728.db2.gz NCVBCAMOGOHXNO-YVECIDJPSA-N 0 0 305.440 0.982 10 0 DCAERN COC(=O)c1nc(C(=O)NCC(=O)NCC(F)F)cs1 ZINC000721506320 658212049 /nfs/dbraw/zinc/21/20/49/658212049.db2.gz ZPUYKJUHPYISHI-UHFFFAOYSA-N 0 0 307.278 0.041 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000181369247 665560806 /nfs/dbraw/zinc/56/08/06/665560806.db2.gz YAEOWTFONRBBOV-DGCLKSJQSA-N 0 0 306.366 0.536 10 0 DCAERN C#CCN(C(=O)Nc1cnn(CCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000091179620 658360969 /nfs/dbraw/zinc/36/09/69/658360969.db2.gz DKTKPPXQINDANK-ZDUSSCGKSA-N 0 0 324.406 0.947 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000077368598 658520929 /nfs/dbraw/zinc/52/09/29/658520929.db2.gz RCICUPUHLOGGSK-CHWSQXEVSA-N 0 0 312.410 0.898 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)CC1 ZINC000255053134 658543880 /nfs/dbraw/zinc/54/38/80/658543880.db2.gz ADHHQDDEBROTNL-LLVKDONJSA-N 0 0 310.423 0.279 10 0 DCAERN CNC(=O)[C@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255056144 658577172 /nfs/dbraw/zinc/57/71/72/658577172.db2.gz AHFLSLZJEXDJPI-NEPJUHHUSA-N 0 0 321.425 0.528 10 0 DCAERN CCCc1noc(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076883 658718019 /nfs/dbraw/zinc/71/80/19/658718019.db2.gz RTKJFDWFLOJZHD-OAHLLOKOSA-N 0 0 320.397 0.720 10 0 DCAERN CC(C)c1noc(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000888076846 658718475 /nfs/dbraw/zinc/71/84/75/658718475.db2.gz LRKVTLWPOIAXLV-OAHLLOKOSA-N 0 0 320.397 0.891 10 0 DCAERN CCc1cnccc1C(=O)NCCOCCS(C)(=O)=O ZINC000182555453 659127371 /nfs/dbraw/zinc/12/73/71/659127371.db2.gz ROBIASFLAVGJGH-UHFFFAOYSA-N 0 0 300.380 0.435 10 0 DCAERN Cc1nn(CN2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000183322372 659170498 /nfs/dbraw/zinc/17/04/98/659170498.db2.gz HZBRDPAEBLNWKP-UHFFFAOYSA-N 0 0 303.326 0.669 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N1C[C@H](O)[C@@H](O)C1 ZINC000236595843 659210594 /nfs/dbraw/zinc/21/05/94/659210594.db2.gz VWPGWJIXOPLIGR-WTIVYXKASA-N 0 0 303.767 0.678 10 0 DCAERN CC(C)[C@]1(C)CC(=O)N(CN2CCO[C@]3(CCOC3)C2)C1=O ZINC000184265169 659217084 /nfs/dbraw/zinc/21/70/84/659217084.db2.gz DOJQRIUDJHUGPZ-JKSUJKDBSA-N 0 0 310.394 0.856 10 0 DCAERN O=C(c1cccnc1-n1cccn1)N1CCO[C@@]2(CCOC2)C1 ZINC000187170180 659296212 /nfs/dbraw/zinc/29/62/12/659296212.db2.gz IKFBPKMDFDJIMS-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1CCOC[C@H]1CO ZINC000168203980 659323791 /nfs/dbraw/zinc/32/37/91/659323791.db2.gz GPGZUUCMXCFXAL-SECBINFHSA-N 0 0 316.151 0.988 10 0 DCAERN O=C1[C@@H](N2CCO[C@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916566 659414455 /nfs/dbraw/zinc/41/44/55/659414455.db2.gz YXKTYQIRNRVQAD-GOEBONIOSA-N 0 0 310.394 0.258 10 0 DCAERN O=C(c1ccn(CC(F)F)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000194209404 659486789 /nfs/dbraw/zinc/48/67/89/659486789.db2.gz OHAFNQCKSYSTRV-NSHDSACASA-N 0 0 314.336 0.695 10 0 DCAERN CCN1C[C@H](COC(=O)[C@@H]2COCCN2CC(F)F)CC1=O ZINC000194941454 659524049 /nfs/dbraw/zinc/52/40/49/659524049.db2.gz DBFVAFQCUVUDBF-MNOVXSKESA-N 0 0 320.336 0.364 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C(C)C ZINC000178437305 659524140 /nfs/dbraw/zinc/52/41/40/659524140.db2.gz YVDCRRYINMSYLL-WVDJIFEKSA-N 0 0 305.444 0.603 10 0 DCAERN C[C@@H](Cn1cccn1)OC(=O)[C@@H]1COCCN1CC(F)F ZINC000194966307 659525341 /nfs/dbraw/zinc/52/53/41/659525341.db2.gz SVBXLZLGTCHESK-QWRGUYRKSA-N 0 0 303.309 0.781 10 0 DCAERN CCCn1cnnc1COC(=O)[C@@H]1COCCN1CC(F)F ZINC000194977909 659525614 /nfs/dbraw/zinc/52/56/14/659525614.db2.gz PTECUNJCDVSMNT-JTQLQIEISA-N 0 0 318.324 0.697 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000124087818 659640831 /nfs/dbraw/zinc/64/08/31/659640831.db2.gz LFBKCMASPAGANF-SWLSCSKDSA-N 0 0 308.382 0.265 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000220535935 661500793 /nfs/dbraw/zinc/50/07/93/661500793.db2.gz NMRFUWDSGUTCCN-SECBINFHSA-N 0 0 320.374 0.801 10 0 DCAERN CC(C)C[C@@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000726278512 661655313 /nfs/dbraw/zinc/65/53/13/661655313.db2.gz WMQWOQWUINFMSB-GFCCVEGCSA-N 0 0 321.443 0.118 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000338951613 661809502 /nfs/dbraw/zinc/80/95/02/661809502.db2.gz RSQUDHUQZMCSLJ-LBPRGKRZSA-N 0 0 322.390 0.715 10 0 DCAERN CN(CC(=O)N1CC(n2cncn2)C1)c1ccc(Cl)cn1 ZINC000727750179 662236816 /nfs/dbraw/zinc/23/68/16/662236816.db2.gz WNQZMYQNQMPOIY-UHFFFAOYSA-N 0 0 306.757 0.846 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C(=O)NCc2nc(C(F)(F)F)no2)O1 ZINC000897358594 662515269 /nfs/dbraw/zinc/51/52/69/662515269.db2.gz WBEITXCFUXHWJS-RNFRBKRXSA-N 0 0 308.260 0.424 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262914377 662597747 /nfs/dbraw/zinc/59/77/47/662597747.db2.gz GCWCQTUONGUVTE-NSHDSACASA-N 0 0 318.368 0.590 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)NCCCn1ccnn1 ZINC000182704703 665886024 /nfs/dbraw/zinc/88/60/24/665886024.db2.gz JEEKZUMZEPKEEZ-FQEVSTJZSA-N 0 0 301.416 0.515 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@H]1CC(F)F ZINC000343439572 662834208 /nfs/dbraw/zinc/83/42/08/662834208.db2.gz KWPCMWBOUOMPDN-ZJUUUORDSA-N 0 0 308.350 0.790 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)C(F)(F)c1ccccc1 ZINC000192455383 662876826 /nfs/dbraw/zinc/87/68/26/662876826.db2.gz UPJJFSJHHMCGKG-ZDUSSCGKSA-N 0 0 314.332 0.588 10 0 DCAERN Cc1ccnc2nc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)nn21 ZINC000729697875 662907416 /nfs/dbraw/zinc/90/74/16/662907416.db2.gz YQNWUUPEUUKFPX-SNVBAGLBSA-N 0 0 305.338 0.702 10 0 DCAERN CC(C)[C@H](OC(=O)Cc1nc2ncccn2n1)C(=O)N(C)C ZINC000729706579 662907687 /nfs/dbraw/zinc/90/76/87/662907687.db2.gz YYQSIDCODKIITC-LBPRGKRZSA-N 0 0 305.338 0.323 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433256 663090621 /nfs/dbraw/zinc/09/06/21/663090621.db2.gz PSWAZPDKHYIROL-VXGBXAGGSA-N 0 0 303.428 0.084 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCNc1cccc(C)n1 ZINC000346254499 663140126 /nfs/dbraw/zinc/14/01/26/663140126.db2.gz VNMGYNWLTYYTFR-GFCCVEGCSA-N 0 0 308.407 0.840 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000900607647 663260806 /nfs/dbraw/zinc/26/08/06/663260806.db2.gz MJTAXAKJFXLIBL-JSGCOSHPSA-N 0 0 303.362 0.239 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccnc(NC2CCC2)c1 ZINC000901291886 663338072 /nfs/dbraw/zinc/33/80/72/663338072.db2.gz QQRWFNUZZRGKAX-GFCCVEGCSA-N 0 0 304.350 0.372 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC(C)(C)CS(C)(=O)=O)[nH]1 ZINC000436117542 663416344 /nfs/dbraw/zinc/41/63/44/663416344.db2.gz XXLRGQIBNIBZNF-UHFFFAOYSA-N 0 0 310.379 0.819 10 0 DCAERN CC[C@H](O)[C@H](C)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000907575495 663706121 /nfs/dbraw/zinc/70/61/21/663706121.db2.gz CBRWFCQAHSEHLR-AVGNSLFASA-N 0 0 321.425 0.499 10 0 DCAERN CNc1snc(C)c1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909159129 663782546 /nfs/dbraw/zinc/78/25/46/663782546.db2.gz CJPVVUGMDIPKJB-WCABBAIRSA-N 0 0 307.379 0.794 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c2c1CCCC2 ZINC000909189148 663785890 /nfs/dbraw/zinc/78/58/90/663785890.db2.gz WYIGUQRTVBMTEK-UXIGCNINSA-N 0 0 315.377 0.600 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2CO)c2ccccc2C1=O ZINC000912426567 664174923 /nfs/dbraw/zinc/17/49/23/664174923.db2.gz ZAESYDFBRXJFCL-FZMZJTMJSA-N 0 0 304.346 0.076 10 0 DCAERN Cc1ccc(CNC(=O)NCC(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912427983 664175146 /nfs/dbraw/zinc/17/51/46/664175146.db2.gz PCUVDVQNTCDDDZ-AWEZNQCLSA-N 0 0 321.377 0.014 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163712750 664356633 /nfs/dbraw/zinc/35/66/33/664356633.db2.gz AOUYCKXLSOVEGG-BDAKNGLRSA-N 0 0 308.313 0.272 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(N)=O ZINC000044684637 664368994 /nfs/dbraw/zinc/36/89/94/664368994.db2.gz FMSRFJCXFUEJRE-ZCFIWIBFSA-N 0 0 324.280 0.584 10 0 DCAERN Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3)nc[nH]c1=O ZINC000222949837 664396652 /nfs/dbraw/zinc/39/66/52/664396652.db2.gz CQKJSPGRJUQTCH-UHFFFAOYSA-N 0 0 312.329 0.845 10 0 DCAERN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCC(=O)N(C)C)O2 ZINC000223292734 664406100 /nfs/dbraw/zinc/40/61/00/664406100.db2.gz KCYMSQMVNKPKAP-MRXNPFEDSA-N 0 0 319.361 0.679 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000226981655 664524004 /nfs/dbraw/zinc/52/40/04/664524004.db2.gz RVYQCIWCROWGQB-XCBNKYQSSA-N 0 0 300.384 0.301 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)Cc2cc(C)on2)C[C@@H]1C ZINC000227812745 664539105 /nfs/dbraw/zinc/53/91/05/664539105.db2.gz CAWDDRRXTQFGMN-KWQFWETISA-N 0 0 302.352 0.554 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCC2(C1)OCCO2 ZINC000228065537 664544746 /nfs/dbraw/zinc/54/47/46/664544746.db2.gz YSUNNSSSEPQBRK-UHFFFAOYSA-N 0 0 321.786 0.601 10 0 DCAERN CC(=O)NC[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000172210706 664617760 /nfs/dbraw/zinc/61/77/60/664617760.db2.gz MCIAMIFZSXLOHD-VSGCLNPGSA-N 0 0 324.402 0.824 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@@H]2COC(=O)N2C)CC1 ZINC000062633547 664622174 /nfs/dbraw/zinc/62/21/74/664622174.db2.gz SWLWEVPBMDSUIB-ZDUSSCGKSA-N 0 0 319.361 0.794 10 0 DCAERN O=C1c2ccccc2N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000172961624 664625896 /nfs/dbraw/zinc/62/58/96/664625896.db2.gz CQQPJPCOHBNCJZ-CYBMUJFWSA-N 0 0 315.373 0.580 10 0 DCAERN CC(C)[C@]1(C)CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959079 664625931 /nfs/dbraw/zinc/62/59/31/664625931.db2.gz ALSJXUNKLLCNPD-YOEHRIQHSA-N 0 0 323.437 0.772 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC000173463851 664629217 /nfs/dbraw/zinc/62/92/17/664629217.db2.gz RPVQHTCFXXPKMA-SECBINFHSA-N 0 0 315.377 0.892 10 0 DCAERN CC(C)C[C@@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000174077865 664635347 /nfs/dbraw/zinc/63/53/47/664635347.db2.gz IJGKNBCEPNFWHJ-OLZOCXBDSA-N 0 0 317.455 0.462 10 0 DCAERN CN(CC(N)=O)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730278715 664674985 /nfs/dbraw/zinc/67/49/85/664674985.db2.gz RHIVCAQMNBZPKA-UHFFFAOYSA-N 0 0 305.334 0.136 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)NC1CCCC1 ZINC000730307162 664681910 /nfs/dbraw/zinc/68/19/10/664681910.db2.gz AVJOUXAROOJOGR-BXKDBHETSA-N 0 0 314.407 0.898 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000730308344 664682411 /nfs/dbraw/zinc/68/24/11/664682411.db2.gz DNCNFKJFGJSCDR-ZETCQYMHSA-N 0 0 314.285 0.130 10 0 DCAERN CCCCCCOCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000730769934 664805604 /nfs/dbraw/zinc/80/56/04/664805604.db2.gz REFYTPNUYFULJB-UHFFFAOYSA-N 0 0 300.399 0.901 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000730832235 664817824 /nfs/dbraw/zinc/81/78/24/664817824.db2.gz HEXIZKKGQXTYDW-ZDUSSCGKSA-N 0 0 307.375 0.593 10 0 DCAERN CCN1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2OC)CC1=O ZINC000193218282 664823694 /nfs/dbraw/zinc/82/36/94/664823694.db2.gz HWQMEOAGOLVZFQ-WCQYABFASA-N 0 0 306.362 0.713 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000741421487 664837258 /nfs/dbraw/zinc/83/72/58/664837258.db2.gz QOUMVMXZBPIENP-JOCHJYFZSA-N 0 0 322.394 0.861 10 0 DCAERN CC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CNC(=O)N1 ZINC000732363297 664922185 /nfs/dbraw/zinc/92/21/85/664922185.db2.gz OFCQCLOXPHGVKT-NSHDSACASA-N 0 0 305.290 0.052 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CNC(=O)N2)c1C ZINC000732364580 664922556 /nfs/dbraw/zinc/92/25/56/664922556.db2.gz URYPRNVEVSESCR-NXEZZACHSA-N 0 0 321.333 0.630 10 0 DCAERN C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(F)(F)F ZINC000174921930 665309169 /nfs/dbraw/zinc/30/91/69/665309169.db2.gz LQLJTNNFZURCLG-SMMXGFFBSA-N 0 0 306.240 0.591 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)NCCCN2CCOC2=O)cc1 ZINC000170857425 665391234 /nfs/dbraw/zinc/39/12/34/665391234.db2.gz MPAPBIKIQLZKDL-OAQYLSRUSA-N 0 0 310.375 0.996 10 0 DCAERN Cc1cccnc1/C=C/C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000183367759 666034739 /nfs/dbraw/zinc/03/47/39/666034739.db2.gz NNFCDBBNMVPRFN-GWJCSSMESA-N 0 0 323.418 0.943 10 0 DCAERN C[C@@H](CCn1cccn1)OC(=O)CCC(=O)N1CCOCC1 ZINC000183867081 666128960 /nfs/dbraw/zinc/12/89/60/666128960.db2.gz NZWQCHZVZPGTIQ-ZDUSSCGKSA-N 0 0 309.366 0.844 10 0 DCAERN CS(=O)(=O)CCCC(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185127401 666340037 /nfs/dbraw/zinc/34/00/37/666340037.db2.gz HDAMGWYMCPDADL-VIFPVBQESA-N 0 0 317.329 0.991 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)O[C@@H](C)CCS(C)(=O)=O ZINC000185702967 666550074 /nfs/dbraw/zinc/55/00/74/666550074.db2.gz AENGMTLTQDCKDH-VIFPVBQESA-N 0 0 302.396 0.946 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)OCCc2cccnc2)CC1 ZINC000073300081 666651765 /nfs/dbraw/zinc/65/17/65/666651765.db2.gz ZDWYXTBMYAOFCQ-UHFFFAOYSA-N 0 0 312.391 0.839 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000733586553 666768996 /nfs/dbraw/zinc/76/89/96/666768996.db2.gz RMSNVEYULFUJPT-UHFFFAOYSA-N 0 0 315.347 0.708 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000733879840 666823606 /nfs/dbraw/zinc/82/36/06/666823606.db2.gz QWFNRWYOCIJPEW-IBGZPJMESA-N 0 0 318.420 0.093 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000733899721 666824569 /nfs/dbraw/zinc/82/45/69/666824569.db2.gz MXSZCHKSGPYJAC-LJQANCHMSA-N 0 0 319.404 0.505 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000733962185 666832265 /nfs/dbraw/zinc/83/22/65/666832265.db2.gz HQPWFOQLLLDERW-NRFANRHFSA-N 0 0 313.375 0.965 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000733963856 666832738 /nfs/dbraw/zinc/83/27/38/666832738.db2.gz VONIWDMDVKTISR-JOCHJYFZSA-N 0 0 321.402 0.590 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000733965684 666832973 /nfs/dbraw/zinc/83/29/73/666832973.db2.gz HPCZQAPTFKKYFQ-HXUWFJFHSA-N 0 0 313.404 0.343 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000733965161 666832996 /nfs/dbraw/zinc/83/29/96/666832996.db2.gz CDAPNTFGUQWKKL-JOCHJYFZSA-N 0 0 322.386 0.558 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)NCC[S@@](=O)CC)CC1=O ZINC000733964922 666833074 /nfs/dbraw/zinc/83/30/74/666833074.db2.gz WLNZIFZXCDTEDD-PVUDRZGPSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)CCn1c(C)c(C)sc1=O ZINC000734435914 666875194 /nfs/dbraw/zinc/87/51/94/666875194.db2.gz NMRUXNHBKROFGB-IBGZPJMESA-N 0 0 304.437 0.802 10 0 DCAERN CCS(=O)(=O)CCN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000118398520 666949080 /nfs/dbraw/zinc/94/90/80/666949080.db2.gz HJYDBMZQRXOJGH-AWEZNQCLSA-N 0 0 315.439 0.635 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000735097757 666951908 /nfs/dbraw/zinc/95/19/08/666951908.db2.gz VISQVDVOUXGOLD-NRFANRHFSA-N 0 0 311.407 0.396 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000735111835 666954801 /nfs/dbraw/zinc/95/48/01/666954801.db2.gz OPDCWEFMYVHATJ-JOCHJYFZSA-N 0 0 324.450 0.677 10 0 DCAERN CCOc1ccc(NC(=O)C(=O)NCC[S@@](=O)CC)cc1 ZINC000735202024 666968716 /nfs/dbraw/zinc/96/87/16/666968716.db2.gz SVMYRQYQVAYYNG-NRFANRHFSA-N 0 0 312.391 0.909 10 0 DCAERN CCCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702816974 666999862 /nfs/dbraw/zinc/99/98/62/666999862.db2.gz RZEFZRNUWSTLGK-RYUDHWBXSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702837200 667002344 /nfs/dbraw/zinc/00/23/44/667002344.db2.gz IHHFMVVLXNDVJC-QWRGUYRKSA-N 0 0 301.387 0.922 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)c(N)c2)C1 ZINC000703012799 667029720 /nfs/dbraw/zinc/02/97/20/667029720.db2.gz VMQCRBDXEZHKJK-VIFPVBQESA-N 0 0 301.343 0.172 10 0 DCAERN CNC(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000118977903 667050859 /nfs/dbraw/zinc/05/08/59/667050859.db2.gz IVYGVBCUWGJAJK-BXUZGUMPSA-N 0 0 308.309 0.634 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=S)NC2CCCCC2)C1 ZINC000703143402 667061821 /nfs/dbraw/zinc/06/18/21/667061821.db2.gz XYJGHFYMUQLWCW-LLVKDONJSA-N 0 0 305.469 0.817 10 0 DCAERN CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cccnc1Cl ZINC000703498654 667092492 /nfs/dbraw/zinc/09/24/92/667092492.db2.gz WSUHBUNIUNQWGK-OCAPTIKFSA-N 0 0 303.771 0.619 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000736556454 667194478 /nfs/dbraw/zinc/19/44/78/667194478.db2.gz KPCCPMHVTRDMEV-UHFFFAOYSA-N 0 0 314.363 0.278 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000736558661 667194678 /nfs/dbraw/zinc/19/46/78/667194678.db2.gz WQZIUVFZNVPGQP-LJQANCHMSA-N 0 0 318.420 0.141 10 0 DCAERN CC(C)c1nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(=S)n1C ZINC000120202352 667279914 /nfs/dbraw/zinc/27/99/14/667279914.db2.gz VSUZVKDVYMXFSO-ZJUUUORDSA-N 0 0 313.427 0.607 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)cc(=O)[nH]1 ZINC000864842534 667289287 /nfs/dbraw/zinc/28/92/87/667289287.db2.gz YDIYMDSTPWAACQ-LLVKDONJSA-N 0 0 316.365 0.461 10 0 DCAERN CN([C@H]1CN2CCC1CC2)S(=O)(=O)C1CCC(=O)CC1 ZINC000708201792 667442337 /nfs/dbraw/zinc/44/23/37/667442337.db2.gz JCCHIPFTLKWPFE-AWEZNQCLSA-N 0 0 300.424 0.854 10 0 DCAERN CN(C(=O)c1nscc1Br)[C@@H]1COC[C@H]1O ZINC000708617988 667443218 /nfs/dbraw/zinc/44/32/18/667443218.db2.gz OBBRRPFEXAAXAQ-RNFRBKRXSA-N 0 0 307.169 0.737 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2)C1=O ZINC000709121224 667444120 /nfs/dbraw/zinc/44/41/20/667444120.db2.gz YHYBEHQEQHIMHZ-VIFPVBQESA-N 0 0 303.771 0.634 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccccc1Br ZINC000711184929 667452319 /nfs/dbraw/zinc/45/23/19/667452319.db2.gz MKWVMUGYZVROLR-SSDOTTSWSA-N 0 0 321.196 0.943 10 0 DCAERN O=c1[nH]c(=O)n(CCOC2CC2)cc1I ZINC000711712656 667532064 /nfs/dbraw/zinc/53/20/64/667532064.db2.gz FNGNGEHLXRQAIW-UHFFFAOYSA-N 0 0 322.102 0.733 10 0 DCAERN C[C@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000122218881 667584360 /nfs/dbraw/zinc/58/43/60/667584360.db2.gz SIUIGLJQGURCSN-QMMMGPOBSA-N 0 0 320.798 0.701 10 0 DCAERN C[C@H]1CN(C(=O)CCCn2cccn2)C[C@H]1N1CCOCC1 ZINC000742218790 667589925 /nfs/dbraw/zinc/58/99/25/667589925.db2.gz ORPUHWIXUQNSKG-LSDHHAIUSA-N 0 0 306.410 0.842 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000122571000 667656225 /nfs/dbraw/zinc/65/62/25/667656225.db2.gz NHQDXULFAVSSRT-GFCCVEGCSA-N 0 0 305.444 0.547 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1n[nH]cc1Br ZINC000738485438 667676130 /nfs/dbraw/zinc/67/61/30/667676130.db2.gz YJEYMEBBLMHIEE-KRWDZBQOSA-N 0 0 323.216 0.740 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccnc(-n2cncn2)c1)C(=O)N(C)C ZINC000738628759 667679476 /nfs/dbraw/zinc/67/94/76/667679476.db2.gz RKRZHFFVPPAODL-ZDUSSCGKSA-N 0 0 317.349 0.932 10 0 DCAERN C[C@H](CO)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000122789107 667684705 /nfs/dbraw/zinc/68/47/05/667684705.db2.gz ODIAEXMVURLTRR-MRVPVSSYSA-N 0 0 320.798 0.701 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccnc(N2CCCCC2)n1 ZINC000739579748 667707529 /nfs/dbraw/zinc/70/75/29/667707529.db2.gz HEQAPHMBSMBKPL-NRFANRHFSA-N 0 0 310.423 0.965 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000739591634 667709177 /nfs/dbraw/zinc/70/91/77/667709177.db2.gz WLESLHNVPZKQSM-DTWKUNHWSA-N 0 0 312.313 0.698 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NN1CCCCC1 ZINC000123027901 667725346 /nfs/dbraw/zinc/72/53/46/667725346.db2.gz LBFOYZZANQCPLL-LBPRGKRZSA-N 0 0 303.428 0.708 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ccnc(C(N)=O)c3)C[C@H]21 ZINC000886034107 667726137 /nfs/dbraw/zinc/72/61/37/667726137.db2.gz OSMYSTSOBVVJIJ-ZIAGYGMSSA-N 0 0 304.350 0.007 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 ZINC000886035970 667726635 /nfs/dbraw/zinc/72/66/35/667726635.db2.gz VUQWASRFNAGDNB-ZJUUUORDSA-N 0 0 311.773 0.538 10 0 DCAERN COc1cc(N2CCC[C@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065827 667728064 /nfs/dbraw/zinc/72/80/64/667728064.db2.gz YZKXQIYAQHWCAQ-AWEZNQCLSA-N 0 0 304.354 0.188 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2cc(C)nn2C)C1=O ZINC000886078508 667729590 /nfs/dbraw/zinc/72/95/90/667729590.db2.gz YXKODPXFLCIPRL-ZDUSSCGKSA-N 0 0 308.382 0.372 10 0 DCAERN CCc1occc1C(=O)N1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886078304 667729782 /nfs/dbraw/zinc/72/97/82/667729782.db2.gz VIGLIBRHJHAROW-INIZCTEOSA-N 0 0 321.377 0.244 10 0 DCAERN CO[C@@H]1CN(C(=O)C2(O)CCCCC2)C[C@H]1c1cn(C)nn1 ZINC000886085027 667730122 /nfs/dbraw/zinc/73/01/22/667730122.db2.gz VSCQRNYYZIBZJM-WCQYABFASA-N 0 0 308.382 0.451 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)COC2CCCC2)C1 ZINC000886095270 667731603 /nfs/dbraw/zinc/73/16/03/667731603.db2.gz PKBXJIDOZNWJFX-MRXNPFEDSA-N 0 0 322.409 0.670 10 0 DCAERN Cc1noc(C[C@@]2(O)CCCN(C(=O)CCn3cccn3)C2)n1 ZINC000886097018 667732376 /nfs/dbraw/zinc/73/23/76/667732376.db2.gz RLJYIOJIZIOGDP-HNNXBMFYSA-N 0 0 319.365 0.561 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1ccc(Br)cc1O ZINC000717388851 667749745 /nfs/dbraw/zinc/74/97/45/667749745.db2.gz YHAKDNUVDVJKQJ-LHLIQPBNSA-N 0 0 304.140 0.626 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@@H](O)[C@@H](C)O)c1 ZINC000717412509 667789345 /nfs/dbraw/zinc/78/93/45/667789345.db2.gz KUAAPGSRFWFMKM-RDDDGLTNSA-N 0 0 318.167 0.929 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@H](O)[C@H](C)O ZINC000717414157 667789723 /nfs/dbraw/zinc/78/97/23/667789723.db2.gz TZHYKTCCAUPICE-XVKPBYJWSA-N 0 0 318.167 0.929 10 0 DCAERN O=C1CCC(S(=O)(=O)NCC[C@H](O)C(F)(F)F)CC1 ZINC000717416727 667789938 /nfs/dbraw/zinc/78/99/38/667789938.db2.gz IXBOOHWUKYWSMH-VIFPVBQESA-N 0 0 303.302 0.731 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccccc1Cn1cncn1 ZINC000742657689 667796425 /nfs/dbraw/zinc/79/64/25/667796425.db2.gz FPIOOZHYVLGJHT-OAQYLSRUSA-N 0 0 306.391 0.825 10 0 DCAERN Cn1cnc2cncc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)c21 ZINC000886992039 667828058 /nfs/dbraw/zinc/82/80/58/667828058.db2.gz LTECTVWMHFMMNI-CHWSQXEVSA-N 0 0 316.361 0.628 10 0 DCAERN O=C1CC2(CN1)CCN(S(=O)(=O)c1ccns1)CC2 ZINC000717688682 667875975 /nfs/dbraw/zinc/87/59/75/667875975.db2.gz LIOFCXIWVPSPBD-UHFFFAOYSA-N 0 0 301.393 0.434 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)no1 ZINC000124881266 668159062 /nfs/dbraw/zinc/15/90/62/668159062.db2.gz DLSHYCXZHCPWCS-SECBINFHSA-N 0 0 313.317 0.906 10 0 DCAERN COc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126439255 668582613 /nfs/dbraw/zinc/58/26/13/668582613.db2.gz XDUNJDLUJLNMPS-GFCCVEGCSA-N 0 0 312.391 0.088 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@H]1C1CCCC1 ZINC000126713527 668646436 /nfs/dbraw/zinc/64/64/36/668646436.db2.gz NWUBHVLPDFKWAJ-KBPBESRZSA-N 0 0 314.451 0.944 10 0 DCAERN CN(C(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccc(F)cc1 ZINC000126718781 668647345 /nfs/dbraw/zinc/64/73/45/668647345.db2.gz OSWHUMKRRNBTSO-NSHDSACASA-N 0 0 300.355 0.565 10 0 DCAERN COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c(C)c1 ZINC000126745604 668653611 /nfs/dbraw/zinc/65/36/11/668653611.db2.gz VQCFLNHOVRFNDA-LLVKDONJSA-N 0 0 312.391 0.719 10 0 DCAERN CC[C@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126787561 668658702 /nfs/dbraw/zinc/65/87/02/668658702.db2.gz HKGHQVXVRAHNGY-QWHCGFSZSA-N 0 0 302.440 0.802 10 0 DCAERN C[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000929384412 668681618 /nfs/dbraw/zinc/68/16/18/668681618.db2.gz YHBVOEHOGJNLOW-ONGXEEELSA-N 0 0 318.329 0.688 10 0 DCAERN Cc1nn(C)c(C)c1CCOC(=O)CCN1C(=O)CCC1=O ZINC000126958273 668693806 /nfs/dbraw/zinc/69/38/06/668693806.db2.gz MYQSTDHBHMDPTR-UHFFFAOYSA-N 0 0 307.350 0.662 10 0 DCAERN CCn1c(C)nnc1CN1CCCC[C@H]1CS(N)(=O)=O ZINC000931229393 669162499 /nfs/dbraw/zinc/16/24/99/669162499.db2.gz SKCCTHPXFZWKKT-NSHDSACASA-N 0 0 301.416 0.249 10 0 DCAERN C[C@@H](O)c1ccn(CC(=O)N[C@H](C)C(=O)N2CCCCC2)n1 ZINC000128703716 669277567 /nfs/dbraw/zinc/27/75/67/669277567.db2.gz JIZWRVPDSOTORQ-VXGBXAGGSA-N 0 0 308.382 0.454 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1nnc2c(cnn2C)c1=O ZINC000132752121 669744567 /nfs/dbraw/zinc/74/45/67/669744567.db2.gz WTIOBLLVPPSSLU-VIFPVBQESA-N 0 0 322.369 0.145 10 0 DCAERN CCS(=O)(=O)CC(=O)Nc1cnc(Br)cn1 ZINC000132993648 669761746 /nfs/dbraw/zinc/76/17/46/669761746.db2.gz PODAXHBETUSMFY-UHFFFAOYSA-N 0 0 308.157 0.612 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)c1cccs1 ZINC000156453719 669840360 /nfs/dbraw/zinc/84/03/60/669840360.db2.gz QIJUNDMHDVLXDY-MFKMUULPSA-N 0 0 314.432 0.993 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000158310549 669924850 /nfs/dbraw/zinc/92/48/50/669924850.db2.gz AQZKLXOIKYCDEG-AWEZNQCLSA-N 0 0 319.409 0.928 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@H](O)c2ccsc2)c1 ZINC000188004530 669970950 /nfs/dbraw/zinc/97/09/50/669970950.db2.gz NPIBFWKKRYUSLG-NSHDSACASA-N 0 0 309.347 0.973 10 0 DCAERN CC1(CNC(=O)c2cnc3sccn3c2=O)OCCCO1 ZINC000191142996 669983064 /nfs/dbraw/zinc/98/30/64/669983064.db2.gz VCGPKUIXVWCWCX-UHFFFAOYSA-N 0 0 309.347 0.639 10 0 DCAERN Cn1cnc(S(=O)(=O)NCc2cc(C(N)=O)co2)c1Cl ZINC000188253468 669993994 /nfs/dbraw/zinc/99/39/94/669993994.db2.gz LHAPLFNSDLIROP-UHFFFAOYSA-N 0 0 318.742 0.244 10 0 DCAERN CO[C@H]1CCC[C@@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075477538 670014518 /nfs/dbraw/zinc/01/45/18/670014518.db2.gz BEXORTBSVWUYTG-WDEREUQCSA-N 0 0 320.349 0.631 10 0 DCAERN Cn1c2ccncc2n(CN2CC[C@@](O)(C(F)(F)F)C2)c1=O ZINC000191432161 670023341 /nfs/dbraw/zinc/02/33/41/670023341.db2.gz LXLDGQZMSIZBGA-LBPRGKRZSA-N 0 0 316.283 0.692 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1nnnn1C1CC1 ZINC000188929725 670067384 /nfs/dbraw/zinc/06/73/84/670067384.db2.gz OBNGFAYLCKICHU-HOSYDEDBSA-N 0 0 308.386 0.919 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCC(Nc3cccnn3)CC2)C1 ZINC000189151141 670093295 /nfs/dbraw/zinc/09/32/95/670093295.db2.gz SCLMJVQWNKIYDY-CYBMUJFWSA-N 0 0 305.382 0.558 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC3(C2)OCCO3)n1 ZINC000191861793 670112649 /nfs/dbraw/zinc/11/26/49/670112649.db2.gz ZFWCMUWKXYKKGZ-UHFFFAOYSA-N 0 0 310.310 0.790 10 0 DCAERN COCC1CC(NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000713915544 670169073 /nfs/dbraw/zinc/16/90/73/670169073.db2.gz ITAHQHHTDDFJOB-UHFFFAOYSA-N 0 0 304.393 0.550 10 0 DCAERN CNC(=O)[C@H](C)CN(C)Cc1cn(C)nc1Br ZINC000713871636 670171350 /nfs/dbraw/zinc/17/13/50/670171350.db2.gz KGVPBYKRVUSOLZ-MRVPVSSYSA-N 0 0 303.204 0.997 10 0 DCAERN COc1cc(Cl)ccc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713989291 670173393 /nfs/dbraw/zinc/17/33/93/670173393.db2.gz OGXNAIZJVNITPW-UHFFFAOYSA-N 0 0 318.782 0.900 10 0 DCAERN O=S(=O)(NCC[C@H]1CCCS1(=O)=O)c1ccccc1 ZINC000714324320 670184078 /nfs/dbraw/zinc/18/40/78/670184078.db2.gz UJSNIRXWOLSAEO-LLVKDONJSA-N 0 0 303.405 0.932 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccco1 ZINC000190003261 670188549 /nfs/dbraw/zinc/18/85/49/670188549.db2.gz PNROIWPHNURQOE-OAHLLOKOSA-N 0 0 314.301 0.549 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cccnc2Br)C1 ZINC000714458717 670188595 /nfs/dbraw/zinc/18/85/95/670188595.db2.gz MUCOSYXGALSMJA-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccc(Br)nc2)C1 ZINC000714456091 670189091 /nfs/dbraw/zinc/18/90/91/670189091.db2.gz DGTORNSRFLTSSL-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cccc(C=O)c1 ZINC000080061769 670262786 /nfs/dbraw/zinc/26/27/86/670262786.db2.gz NSVCGYMLJCJBLO-DGCLKSJQSA-N 0 0 304.346 0.990 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000716854659 670273663 /nfs/dbraw/zinc/27/36/63/670273663.db2.gz GMLKQLZDOGUATK-IJLUTSLNSA-N 0 0 306.428 0.466 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000077444200 670411134 /nfs/dbraw/zinc/41/11/34/670411134.db2.gz NJWBMCVTVIOYMQ-MCIONIFRSA-N 0 0 305.378 0.496 10 0 DCAERN Cc1ncc(COC(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000194268048 670419692 /nfs/dbraw/zinc/41/96/92/670419692.db2.gz LWCODHZRPMALSN-UHFFFAOYSA-N 0 0 319.346 0.638 10 0 DCAERN NC(=O)NC1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000081539538 670441404 /nfs/dbraw/zinc/44/14/04/670441404.db2.gz MRAJWYCJMFPLJF-UHFFFAOYSA-N 0 0 300.366 0.900 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000194863381 670459959 /nfs/dbraw/zinc/45/99/59/670459959.db2.gz KBYYMNSOVJPIOJ-NEPJUHHUSA-N 0 0 310.375 0.660 10 0 DCAERN O=C(CN1CCCS1(=O)=O)OCCc1ccc(F)cc1 ZINC000111991662 670532620 /nfs/dbraw/zinc/53/26/20/670532620.db2.gz GRFGCXZTAQDATK-UHFFFAOYSA-N 0 0 301.339 0.947 10 0 DCAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1ccoc1Cl ZINC000818366585 671009550 /nfs/dbraw/zinc/00/95/50/671009550.db2.gz CEYRKGKQKSQSSW-VIFPVBQESA-N 0 0 323.740 0.604 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2CCC(O)CC2)cn1 ZINC000818598465 671033484 /nfs/dbraw/zinc/03/34/84/671033484.db2.gz JSTLCIDELXHYOA-CXTZMWEQSA-N 0 0 323.393 0.717 10 0 DCAERN O=C(c1csc(Br)n1)N1CCO[C@H](CO)C1 ZINC000821064933 671250566 /nfs/dbraw/zinc/25/05/66/671250566.db2.gz JCTVDHBBTIVFDQ-LURJTMIESA-N 0 0 307.169 0.739 10 0 DCAERN CNC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2Br)C1 ZINC000398495808 1158121459 /nfs/dbraw/zinc/12/14/59/1158121459.db2.gz JRYAOYCCJUCYEI-ZETCQYMHSA-N 0 0 315.171 0.391 10 0 DCAERN CCS(=O)(=O)NCCNCc1ncc(C)c(OC)c1C ZINC000390223117 685259670 /nfs/dbraw/zinc/25/96/70/685259670.db2.gz FCMHDSFDVQGBHN-UHFFFAOYSA-N 0 0 301.412 0.736 10 0 DCAERN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(N)(=O)=O ZINC000398394613 685274646 /nfs/dbraw/zinc/27/46/46/685274646.db2.gz YFJPOKWBJLRHND-ZCFIWIBFSA-N 0 0 321.742 0.655 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CCCC(=O)N2)c(Br)n1 ZINC000720064535 685311534 /nfs/dbraw/zinc/31/15/34/685311534.db2.gz XMSNJBODGJYZQF-MRVPVSSYSA-N 0 0 315.171 0.468 10 0 DCAERN C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720482214 685313457 /nfs/dbraw/zinc/31/34/57/685313457.db2.gz KAOVKXMMABNUDW-AXFHLTTASA-N 0 0 301.412 0.681 10 0 DCAERN C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cn(C)nn1 ZINC000720548565 685314504 /nfs/dbraw/zinc/31/45/04/685314504.db2.gz RYUXYXZKEATGPD-LURJTMIESA-N 0 0 304.763 0.242 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(C)CC(F)(F)C1 ZINC000720978184 685317242 /nfs/dbraw/zinc/31/72/42/685317242.db2.gz SDBCIJIBBNYFOY-UHFFFAOYSA-N 0 0 307.322 0.590 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccc(Br)cc1 ZINC000722489167 685319921 /nfs/dbraw/zinc/31/99/21/685319921.db2.gz ILAWKHJKARNMLC-MRVPVSSYSA-N 0 0 307.169 0.631 10 0 DCAERN O=S1(=O)CCNC[C@@H]1Cc1nc([C@@H]2CCCCS2)no1 ZINC000725016925 685320015 /nfs/dbraw/zinc/32/00/15/685320015.db2.gz RQYNKELHDLDLRQ-UWVGGRQHSA-N 0 0 317.436 0.957 10 0 DCAERN COC(=O)c1ccc(CNS(=O)(=O)c2c[nH]nc2C)cc1 ZINC000037731268 685053974 /nfs/dbraw/zinc/05/39/74/685053974.db2.gz JLAYWMYARYNPPK-UHFFFAOYSA-N 0 0 309.347 0.983 10 0 DCAERN CO[C@H](C)COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000245926197 685159922 /nfs/dbraw/zinc/15/99/22/685159922.db2.gz IJMBXSRWRBAPQN-OSMZGAPFSA-N 0 0 309.366 0.908 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@H]2C ZINC000364747436 685222531 /nfs/dbraw/zinc/22/25/31/685222531.db2.gz AURSZBZVVLWFPM-WDEREUQCSA-N 0 0 320.397 0.718 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000372752454 685228503 /nfs/dbraw/zinc/22/85/03/685228503.db2.gz SBWJQZXPFKVMJW-TUAOUCFPSA-N 0 0 316.448 0.641 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@H](CO)[C@@H](C)O)c1cccs1 ZINC000387591604 685252539 /nfs/dbraw/zinc/25/25/39/685252539.db2.gz SVSMEOVWFUMQEJ-DVVUODLYSA-N 0 0 300.380 0.173 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1 ZINC000158066866 1157826282 /nfs/dbraw/zinc/82/62/82/1157826282.db2.gz WSNCPKCTCQCYLG-UHFFFAOYSA-N 0 0 321.377 0.143 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)NC(CO)CO ZINC000379741287 1157983581 /nfs/dbraw/zinc/98/35/81/1157983581.db2.gz NINQVFGOWIHKKC-UHFFFAOYSA-N 0 0 307.119 0.253 10 0 DCAERN NC(=O)OCCNC(=O)c1ccc(Br)cc1N ZINC000135227337 1158784989 /nfs/dbraw/zinc/78/49/89/1158784989.db2.gz SZBHEJSIOAUXPZ-UHFFFAOYSA-N 0 0 302.128 0.856 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCCOCCCO)cc1 ZINC000352309941 1159092261 /nfs/dbraw/zinc/09/22/61/1159092261.db2.gz DRVJMMDSMPPHEZ-UHFFFAOYSA-N 0 0 301.364 0.567 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000050017745 1171713705 /nfs/dbraw/zinc/71/37/05/1171713705.db2.gz PHHLIABLHUFAGH-ZETCQYMHSA-N 0 0 304.318 0.712 10 0 DCAERN C#CCN(C(=S)N[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974981 1171862076 /nfs/dbraw/zinc/86/20/76/1171862076.db2.gz QTKGIPHDODVOGO-WDEREUQCSA-N 0 0 304.437 0.018 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCOc3ccccc3C2)cn1 ZINC000063014148 1173065352 /nfs/dbraw/zinc/06/53/52/1173065352.db2.gz WCWPOXAZFMRNSB-UHFFFAOYSA-N 0 0 306.347 0.642 10 0 DCAERN CC(C)n1cc(Br)cc1C(=O)NC[C@@H](O)CO ZINC000090280036 1175391038 /nfs/dbraw/zinc/39/10/38/1175391038.db2.gz PAWVUUMHQHUFNV-SECBINFHSA-N 0 0 305.172 0.915 10 0 DCAERN COC[C@H](O)CCNC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000133510215 1177527659 /nfs/dbraw/zinc/52/76/59/1177527659.db2.gz ODKIYOBZDDJAKA-GHMZBOCLSA-N 0 0 300.359 0.772 10 0 DCAERN CCNc1ncc(C(=O)NCCOCC(N)=O)cc1Cl ZINC000230100963 1180552206 /nfs/dbraw/zinc/55/22/06/1180552206.db2.gz QJJLAZJMXHKMIQ-UHFFFAOYSA-N 0 0 300.746 0.399 10 0 DCAERN CCOCCN(C)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000157400977 1180560996 /nfs/dbraw/zinc/56/09/96/1180560996.db2.gz OPOLWDNSXWSLNL-UHFFFAOYSA-N 0 0 304.343 0.582 10 0 DCAERN Cc1cccc(C(=O)NCC(=O)NCCNC(=O)C(C)C)c1 ZINC000248126517 1183370969 /nfs/dbraw/zinc/37/09/69/1183370969.db2.gz VGOLXZYIFGTOOU-UHFFFAOYSA-N 0 0 305.378 0.613 10 0 DCAERN COCC(=O)NCCNC(=O)c1cc(Cl)ccc1OC ZINC000169840012 1183609926 /nfs/dbraw/zinc/60/99/26/1183609926.db2.gz YOJVGTTUWLUGPS-UHFFFAOYSA-N 0 0 300.742 0.841 10 0 DCAERN COCC(=O)NCCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000169842221 1183610162 /nfs/dbraw/zinc/61/01/62/1183610162.db2.gz PDAYSYRPILVWBU-UHFFFAOYSA-N 0 0 301.346 0.970 10 0 DCAERN CN1CC[C@@H](NC(=O)NCc2ccnc(OCC3CC3)c2)C1=O ZINC000172378545 1183842946 /nfs/dbraw/zinc/84/29/46/1183842946.db2.gz PPAIUIKXGUBDAO-CYBMUJFWSA-N 0 0 318.377 0.900 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000175158923 1184045879 /nfs/dbraw/zinc/04/58/79/1184045879.db2.gz KFFCKHZCTHMKCZ-CYBMUJFWSA-N 0 0 320.455 0.932 10 0 DCAERN COc1cccc(CC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000186732479 1187413775 /nfs/dbraw/zinc/41/37/75/1187413775.db2.gz NRIXAEHUPJXVBQ-UHFFFAOYSA-N 0 0 313.361 0.772 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909523 1190386310 /nfs/dbraw/zinc/38/63/10/1190386310.db2.gz XJNKYAPTOYWRAB-IBGZPJMESA-N 0 0 318.420 0.171 10 0 DCAERN O=C(c1ccnc(Br)c1)N1C[C@H](CO)[C@H](O)C1 ZINC000316633480 1190415109 /nfs/dbraw/zinc/41/51/09/1190415109.db2.gz DRZXUZGKQPYKRW-RKDXNWHRSA-N 0 0 301.140 0.269 10 0 DCAERN Cn1nnnc1CNC(=O)c1ccc(Br)cc1N ZINC000389299033 1190700277 /nfs/dbraw/zinc/70/02/77/1190700277.db2.gz CIQHODHHCPDYIY-UHFFFAOYSA-N 0 0 311.143 0.485 10 0 DCAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000588454811 747310775 /nfs/dbraw/zinc/31/07/75/747310775.db2.gz NNFCDBBNMVPRFN-WSROAFLRSA-N 0 0 323.418 0.943 10 0 DCAERN NC(=O)COCCNC(=O)c1nscc1Br ZINC000404815785 747481505 /nfs/dbraw/zinc/48/15/05/747481505.db2.gz POSVKDFSTSCQFK-UHFFFAOYSA-N 0 0 308.157 0.137 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCOCC2CC2)[C@@H](C)CO1 ZINC000246502005 771638741 /nfs/dbraw/zinc/63/87/41/771638741.db2.gz XVKJFWYPEAXCAF-RYUDHWBXSA-N 0 0 306.428 0.747 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCN1CCOC1=O ZINC000077332194 772616931 /nfs/dbraw/zinc/61/69/31/772616931.db2.gz HSTBRXVJWSXSSK-UHFFFAOYSA-N 0 0 303.322 0.390 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000175905424 773851654 /nfs/dbraw/zinc/85/16/54/773851654.db2.gz YEVIADHWIMRYGR-UHFFFAOYSA-N 0 0 319.814 0.975 10 0 DCAERN COc1ncc(S(=O)(=O)N2CCC[C@](CO)(OC)C2)s1 ZINC000401879149 774069387 /nfs/dbraw/zinc/06/93/87/774069387.db2.gz HBNVVZZMNCRKLQ-NSHDSACASA-N 0 0 322.408 0.314 10 0 DCAERN CC(C)O[C@H]1CCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000404527253 774135352 /nfs/dbraw/zinc/13/53/52/774135352.db2.gz UFWIVVVQCSLHHJ-JTQLQIEISA-N 0 0 300.384 0.467 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2ccc(Cl)nc2)CCC1 ZINC000721563573 944836247 /nfs/dbraw/zinc/83/62/47/944836247.db2.gz AHULTODESRPOTG-UHFFFAOYSA-N 0 0 303.771 0.676 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000690831712 976338018 /nfs/dbraw/zinc/33/80/18/976338018.db2.gz PZPUCUYBFXKHOG-QWRGUYRKSA-N 0 0 322.452 0.160 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000081816436 192327855 /nfs/dbraw/zinc/32/78/55/192327855.db2.gz TVXVLKRPIVJUEZ-LBPRGKRZSA-N 0 0 309.366 0.200 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccccc1 ZINC000081814366 192328213 /nfs/dbraw/zinc/32/82/13/192328213.db2.gz WDZOKQQXXISUTL-CYBMUJFWSA-N 0 0 313.361 0.968 10 0 DCAERN Cc1ncc2n1CC[C@H](C(=O)N1CC[C@H]3OCCN(C)[C@H]3C1)C2 ZINC000329748300 282179196 /nfs/dbraw/zinc/17/91/96/282179196.db2.gz ZXCWJGIHPSYZMJ-CWRNSKLLSA-N 0 0 318.421 0.685 10 0 DCAERN c1cnn(CCCNc2nccc(N[C@@H]3CCCOC3)n2)c1 ZINC000328627284 231258631 /nfs/dbraw/zinc/25/86/31/231258631.db2.gz FZWQMNBQXQZCMA-CYBMUJFWSA-N 0 0 302.382 0.610 10 0 DCAERN c1cn(CCCNc2nccc(N[C@@H]3CCCOC3)n2)cn1 ZINC000328653553 231288392 /nfs/dbraw/zinc/28/83/92/231288392.db2.gz WXRNWDOWEQTHAL-CYBMUJFWSA-N 0 0 302.382 0.610 10 0 DCAERN CC[C@@]1(CO)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000188695879 529553476 /nfs/dbraw/zinc/55/34/76/529553476.db2.gz NFBOAVVXTUGRPS-HZSPNIEDSA-N 0 0 320.455 0.825 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000088767952 185264774 /nfs/dbraw/zinc/26/47/74/185264774.db2.gz WXFLPDQJRDPQQW-JTQLQIEISA-N 0 0 324.424 0.508 10 0 DCAERN CNC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000090063348 185280435 /nfs/dbraw/zinc/28/04/35/185280435.db2.gz ASWDGVPVBMIWLT-NSHDSACASA-N 0 0 306.366 0.319 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@]2(O)CCO[C@H]2C)cc1 ZINC000279053064 214602738 /nfs/dbraw/zinc/60/27/38/214602738.db2.gz AZPJIOIQUXLMQG-MEDUHNTESA-N 0 0 306.362 0.939 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)NCC2(CCO)CC2)c1CC ZINC000187699857 529696900 /nfs/dbraw/zinc/69/69/00/529696900.db2.gz IXTOIDCTNRZXML-UHFFFAOYSA-N 0 0 322.409 0.857 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186043788 282257195 /nfs/dbraw/zinc/25/71/95/282257195.db2.gz LROSWQXNBRBBLV-HNNXBMFYSA-N 0 0 307.350 0.238 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N(C)[C@@H](C)c2cnn(C)c2)c1C ZINC000181380066 199288013 /nfs/dbraw/zinc/28/80/13/199288013.db2.gz BUORYVWKRAQTJE-NSHDSACASA-N 0 0 303.366 0.964 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(C)(C)C(N)=O)CC2 ZINC000181492257 199306287 /nfs/dbraw/zinc/30/62/87/199306287.db2.gz ZJWVSHVDXJPRFP-SNVBAGLBSA-N 0 0 322.413 0.527 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000286660666 219109440 /nfs/dbraw/zinc/10/94/40/219109440.db2.gz KARBCPXXVUYDIO-JGVFFNPUSA-N 0 0 324.761 0.644 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(C)C ZINC000178587155 529920555 /nfs/dbraw/zinc/92/05/55/529920555.db2.gz GNJYWYRPUAXQCF-LLVKDONJSA-N 0 0 319.365 0.070 10 0 DCAERN CCc1nnc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)[nH]1 ZINC000181690287 199339058 /nfs/dbraw/zinc/33/90/58/199339058.db2.gz CRKIOGKJFUUSJD-JTQLQIEISA-N 0 0 305.386 0.937 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)[C@H]1CCCO1 ZINC000043571207 545649363 /nfs/dbraw/zinc/64/93/63/545649363.db2.gz YIGBJTQGUQEAQT-PRHODGIISA-N 0 0 316.354 0.770 10 0 DCAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H](CO)NC(N)=O)C2)c1 ZINC000181955065 199367031 /nfs/dbraw/zinc/36/70/31/199367031.db2.gz ZVVGTDSWYMQMQX-OCCSQVGLSA-N 0 0 305.378 0.649 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000068488139 190771035 /nfs/dbraw/zinc/77/10/35/190771035.db2.gz LKUCDBHUPJBFAC-UHFFFAOYSA-N 0 0 318.381 0.612 10 0 DCAERN O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCN1 ZINC000181984638 199371070 /nfs/dbraw/zinc/37/10/70/199371070.db2.gz OWRHOLXSHMVDER-UHFFFAOYSA-N 0 0 323.296 0.611 10 0 DCAERN Cc1c(NC(=O)N[C@@H]2CCC(=O)NC2=O)cccc1N(C)C ZINC000183328019 199575227 /nfs/dbraw/zinc/57/52/27/199575227.db2.gz ZJMYRNQIFSBISM-LLVKDONJSA-N 0 0 304.350 0.988 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc(C)c1F ZINC000183365525 199581554 /nfs/dbraw/zinc/58/15/54/199581554.db2.gz HBMZPPJQUGHWBZ-LLVKDONJSA-N 0 0 316.354 0.317 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccnc1 ZINC000177847669 186192987 /nfs/dbraw/zinc/19/29/87/186192987.db2.gz FRIRIQJTFRZYML-LBPRGKRZSA-N 0 0 313.361 0.794 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)CCO)c2)no1 ZINC000177850402 186193562 /nfs/dbraw/zinc/19/35/62/186193562.db2.gz AZWJXVIOIIYAFH-VIFPVBQESA-N 0 0 318.333 0.871 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000179687140 186205522 /nfs/dbraw/zinc/20/55/22/186205522.db2.gz BSESEJLIQLOJDM-VIFPVBQESA-N 0 0 322.745 0.354 10 0 DCAERN C[C@H]1CN(c2ncc(Br)cn2)CCS1(=O)=O ZINC000150855086 290908249 /nfs/dbraw/zinc/90/82/49/290908249.db2.gz CDWQGUHNQYTZAV-ZETCQYMHSA-N 0 0 306.185 0.862 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171579422 197945308 /nfs/dbraw/zinc/94/53/08/197945308.db2.gz ONDOGGKAHBRSSG-NWDGAFQWSA-N 0 0 307.398 0.992 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c12 ZINC000282104786 186534575 /nfs/dbraw/zinc/53/45/75/186534575.db2.gz FEQGJAGQGZJNMD-JTQLQIEISA-N 0 0 315.377 0.888 10 0 DCAERN O=C(CN1CCCCCCC1=O)N[C@H]1CCc2ncnn2C1 ZINC000172001959 198023512 /nfs/dbraw/zinc/02/35/12/198023512.db2.gz KOIWIPQAKDSKMN-LBPRGKRZSA-N 0 0 305.382 0.502 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000172152748 198047963 /nfs/dbraw/zinc/04/79/63/198047963.db2.gz LNNUBTDPPJKAJT-QMMMGPOBSA-N 0 0 322.287 0.522 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172529239 198111268 /nfs/dbraw/zinc/11/12/68/198111268.db2.gz UIMCOQLLNRADHM-MNOVXSKESA-N 0 0 306.366 0.231 10 0 DCAERN C[C@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)N1CCOCC1 ZINC000172541601 198112899 /nfs/dbraw/zinc/11/28/99/198112899.db2.gz KCCUMGDHIUNHPL-STQMWFEESA-N 0 0 320.393 0.037 10 0 DCAERN COCCOCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172551650 198113907 /nfs/dbraw/zinc/11/39/07/198113907.db2.gz WJEPBWROVWLQOU-UHFFFAOYSA-N 0 0 310.398 0.972 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172605835 198122885 /nfs/dbraw/zinc/12/28/85/198122885.db2.gz JCTYADHJDYTCNQ-CHWSQXEVSA-N 0 0 307.398 0.762 10 0 DCAERN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CSC(=O)N1 ZINC000172630561 198129471 /nfs/dbraw/zinc/12/94/71/198129471.db2.gz APATWJPRPWHEQQ-LBPRGKRZSA-N 0 0 317.374 0.768 10 0 DCAERN COc1ccccc1Cn1ccc2c(nnc3ncnn32)c1=O ZINC000072466619 191173988 /nfs/dbraw/zinc/17/39/88/191173988.db2.gz DASUTTFXVGMOPC-UHFFFAOYSA-N 0 0 308.301 0.891 10 0 DCAERN CNC(=O)c1ccc(N[C@@H]2CCc3nnc(C(C)C)n3C2)nn1 ZINC000173915033 198268867 /nfs/dbraw/zinc/26/88/67/198268867.db2.gz QKUCAHVRIDCAIN-SNVBAGLBSA-N 0 0 315.381 0.978 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1N1CCOCC1 ZINC000173979700 198276262 /nfs/dbraw/zinc/27/62/62/198276262.db2.gz FEFAYASBNHMTBE-CZUORRHYSA-N 0 0 318.421 0.940 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174533267 198347973 /nfs/dbraw/zinc/34/79/73/198347973.db2.gz VAAPDHLRANUPQX-LBPRGKRZSA-N 0 0 322.413 0.787 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000174619236 198361019 /nfs/dbraw/zinc/36/10/19/198361019.db2.gz WUYZPRJHALZGPH-AWEZNQCLSA-N 0 0 317.397 0.991 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000174658818 198366966 /nfs/dbraw/zinc/36/69/66/198366966.db2.gz LFGOEGOWHVJFFX-KGLIPLIRSA-N 0 0 306.410 0.940 10 0 DCAERN O=C([C@@H](O)c1ccccc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000174792582 198386345 /nfs/dbraw/zinc/38/63/45/198386345.db2.gz IFMHEUKTKIQUGS-GJZGRUSLSA-N 0 0 301.346 0.844 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(c2nccn(C)c2=O)CC1 ZINC000174740337 198378061 /nfs/dbraw/zinc/37/80/61/198378061.db2.gz JLFWPQOKTNDGLT-UHFFFAOYSA-N 0 0 316.409 0.453 10 0 DCAERN CO[C@@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000280212332 215454781 /nfs/dbraw/zinc/45/47/81/215454781.db2.gz AFFDOBFMNAHTBW-TZMCWYRMSA-N 0 0 320.393 0.765 10 0 DCAERN COc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C(N)=O)c21 ZINC000182780929 199489820 /nfs/dbraw/zinc/48/98/20/199489820.db2.gz DDZFXDNBUYCUBB-GFCCVEGCSA-N 0 0 317.345 0.432 10 0 DCAERN C[C@H](NC(=O)NCCNC(=O)c1cccnc1)[C@H]1CCCO1 ZINC000077793727 191776618 /nfs/dbraw/zinc/77/66/18/191776618.db2.gz BORWXDUASIYWFZ-WCQYABFASA-N 0 0 306.366 0.678 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000077745614 191767863 /nfs/dbraw/zinc/76/78/63/191767863.db2.gz ALJBBLJRYVFFDZ-LLVKDONJSA-N 0 0 321.381 0.266 10 0 DCAERN CN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(Cl)cc1 ZINC000245843067 283122529 /nfs/dbraw/zinc/12/25/29/283122529.db2.gz IAMSSWBHTQAJAF-GXTWGEPZSA-N 0 0 320.784 0.888 10 0 DCAERN Nc1cc(S(=O)(=O)c2ccccc2)ccc1S(N)(=O)=O ZINC000005162524 181211757 /nfs/dbraw/zinc/21/17/57/181211757.db2.gz WCZMLHOUKYCJLD-UHFFFAOYSA-N 0 0 312.372 0.749 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)C(C)C)cn1 ZINC000080159920 192007825 /nfs/dbraw/zinc/00/78/25/192007825.db2.gz ZGSYHLNRUBFESH-LLVKDONJSA-N 0 0 311.386 0.812 10 0 DCAERN CN1CCO[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000080987671 192210787 /nfs/dbraw/zinc/21/07/87/192210787.db2.gz NOJAEEBDKHBHTR-HNNXBMFYSA-N 0 0 300.362 0.819 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@H]1CCCCO1 ZINC000081073392 192222610 /nfs/dbraw/zinc/22/26/10/192222610.db2.gz NMTWBYDDDKLVOG-VXGBXAGGSA-N 0 0 314.411 0.910 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000177628150 198753031 /nfs/dbraw/zinc/75/30/31/198753031.db2.gz CGXILTMCHKFULQ-CYBMUJFWSA-N 0 0 313.361 0.910 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CCCO2)c(C)o1 ZINC000081730647 192317274 /nfs/dbraw/zinc/31/72/74/192317274.db2.gz DRMAZCPOSQKYBV-JTQLQIEISA-N 0 0 316.379 0.747 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000178008017 198802861 /nfs/dbraw/zinc/80/28/61/198802861.db2.gz CCAHHZHDBCIMDP-JTQLQIEISA-N 0 0 301.350 0.731 10 0 DCAERN O=C(NCCCc1ccccn1)NCCCN1C(=O)CCC1=O ZINC000179212114 198999836 /nfs/dbraw/zinc/99/98/36/198999836.db2.gz SVMSJAJTXZHERN-UHFFFAOYSA-N 0 0 318.377 0.853 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000179397172 199027811 /nfs/dbraw/zinc/02/78/11/199027811.db2.gz MIUKMTQBLIKHAC-AWEZNQCLSA-N 0 0 322.405 0.989 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)c3cn(C)cn3)CC2)cn1 ZINC000179341080 199018134 /nfs/dbraw/zinc/01/81/34/199018134.db2.gz DMGVIGATFUNVEV-UHFFFAOYSA-N 0 0 316.409 0.985 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)CCOCC2CC2)cn1 ZINC000179451662 199038411 /nfs/dbraw/zinc/03/84/11/199038411.db2.gz DEZYBNDSCFPSAP-UHFFFAOYSA-N 0 0 309.370 0.519 10 0 DCAERN CCC(CC)[C@H](O)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179457957 199039158 /nfs/dbraw/zinc/03/91/58/199039158.db2.gz CXHFFZXWFRGUEN-GFCCVEGCSA-N 0 0 311.386 0.548 10 0 DCAERN Cc1ccc2oc(C(=O)NC[C@@H](O)CN3CCOCC3)cc2n1 ZINC000179475635 199042100 /nfs/dbraw/zinc/04/21/00/199042100.db2.gz ANXWYPHJULGEHK-GFCCVEGCSA-N 0 0 319.361 0.559 10 0 DCAERN CC[C@@](C)(O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180572383 199177591 /nfs/dbraw/zinc/17/75/91/199177591.db2.gz BZNJFUSIPOPGEI-OAHLLOKOSA-N 0 0 317.349 0.687 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000408051824 299981095 /nfs/dbraw/zinc/98/10/95/299981095.db2.gz MAXKFECMYJHPFD-WDEREUQCSA-N 0 0 309.453 0.871 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@H](C)C2 ZINC000181113138 199253986 /nfs/dbraw/zinc/25/39/86/199253986.db2.gz JBVDCVXVMFLEOA-BMIGLBTASA-N 0 0 301.346 0.896 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCOC2(CCC2)C1 ZINC000287665006 219661481 /nfs/dbraw/zinc/66/14/81/219661481.db2.gz HICRTAGLJWODBS-NSHDSACASA-N 0 0 319.365 0.011 10 0 DCAERN CCc1oc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C ZINC000125186445 236948789 /nfs/dbraw/zinc/94/87/89/236948789.db2.gz PVJXPEDDXKNULC-SNVBAGLBSA-N 0 0 300.380 0.914 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)C[C@@H](C)O1 ZINC000157225900 237059770 /nfs/dbraw/zinc/05/97/70/237059770.db2.gz QJZHLEOHBPHYKU-IJLUTSLNSA-N 0 0 306.428 0.576 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCNC3=O)CC2)cc1 ZINC000178184521 237223168 /nfs/dbraw/zinc/22/31/68/237223168.db2.gz COYKIHAVAPGJFP-AWEZNQCLSA-N 0 0 323.418 0.190 10 0 DCAERN O=C(CSc1ccc(F)c(F)c1)N[C@H]1CCC(=O)NC1=O ZINC000089754905 192859014 /nfs/dbraw/zinc/85/90/14/192859014.db2.gz PHPBFUXWLKJDAB-JTQLQIEISA-N 0 0 314.313 0.978 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@H](C)O3)C2=O)n(C)n1 ZINC000178378473 237227605 /nfs/dbraw/zinc/22/76/05/237227605.db2.gz NNWNMDNSMUKXDF-AVGNSLFASA-N 0 0 320.393 0.908 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCC1(CO)CCCC1 ZINC000186957230 200037747 /nfs/dbraw/zinc/03/77/47/200037747.db2.gz FATGTZKOLSKOQR-NSHDSACASA-N 0 0 300.424 0.967 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)O1 ZINC000177934202 237217390 /nfs/dbraw/zinc/21/73/90/237217390.db2.gz ZOKRCRRJACZPPB-JSGCOSHPSA-N 0 0 310.394 0.651 10 0 DCAERN COc1cccc(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000187183346 200073562 /nfs/dbraw/zinc/07/35/62/200073562.db2.gz IFNZGPOUFXJVTE-UHFFFAOYSA-N 0 0 312.391 0.668 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)C1 ZINC000182509626 237273632 /nfs/dbraw/zinc/27/36/32/237273632.db2.gz UODWAFVXTRSGPG-IUCAKERBSA-N 0 0 304.334 0.818 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)NCC1(CCO)CC1 ZINC000187463440 237351886 /nfs/dbraw/zinc/35/18/86/237351886.db2.gz DHHCGJNUNMVFBK-UHFFFAOYSA-N 0 0 318.377 0.791 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2cccs2)CCN1CCO ZINC000187695426 237353424 /nfs/dbraw/zinc/35/34/24/237353424.db2.gz JKYSVSKWEYDVQN-CYBMUJFWSA-N 0 0 311.451 0.705 10 0 DCAERN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cc(C(N)=O)co1 ZINC000187712873 237356519 /nfs/dbraw/zinc/35/65/19/237356519.db2.gz FOYAGWZMPVGQMZ-NEPJUHHUSA-N 0 0 300.380 0.824 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCC2(CCO)CC2)c1 ZINC000187936679 237361221 /nfs/dbraw/zinc/36/12/21/237361221.db2.gz JPOQEMPIVNDCHI-UHFFFAOYSA-N 0 0 306.362 0.704 10 0 DCAERN C[C@H](NC(=O)CN1CCN(CCO)[C@H](C)C1)c1cccs1 ZINC000187713341 200148448 /nfs/dbraw/zinc/14/84/48/200148448.db2.gz ZCPBVNMGFKBDED-OLZOCXBDSA-N 0 0 311.451 0.924 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000187934796 200179124 /nfs/dbraw/zinc/17/91/24/200179124.db2.gz SWZIPJCOOFKDLA-QWHCGFSZSA-N 0 0 306.362 0.333 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C2CC2)CC1 ZINC000281075222 216062948 /nfs/dbraw/zinc/06/29/48/216062948.db2.gz FMYHNAHHMKCTAA-UHFFFAOYSA-N 0 0 313.379 0.156 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@@H]1CCOC1 ZINC000281128087 216097222 /nfs/dbraw/zinc/09/72/22/216097222.db2.gz GPAAXNLUJFGSPG-RDBSUJKOSA-N 0 0 324.400 0.827 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCN(CCO)[C@H](C)C2)c1C ZINC000188716201 200293681 /nfs/dbraw/zinc/29/36/81/200293681.db2.gz WSNSGUWXTXDRIM-SNVBAGLBSA-N 0 0 313.423 0.052 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188732679 200295829 /nfs/dbraw/zinc/29/58/29/200295829.db2.gz XNQBTCJQWQWWLV-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000188731304 200296283 /nfs/dbraw/zinc/29/62/83/200296283.db2.gz WMRYTVAIVXBWCW-ZDUSSCGKSA-N 0 0 319.405 0.461 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155528479 291220937 /nfs/dbraw/zinc/22/09/37/291220937.db2.gz VBPKVJXVKZTCNJ-LLVKDONJSA-N 0 0 322.413 0.540 10 0 DCAERN Cc1cnc(CCN(C)CC(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000157731087 291229758 /nfs/dbraw/zinc/22/97/58/291229758.db2.gz CMGUQIZXZDRDLJ-LLVKDONJSA-N 0 0 312.439 0.519 10 0 DCAERN COc1ccnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000266398635 238210725 /nfs/dbraw/zinc/21/07/25/238210725.db2.gz OYOMREZAWDFBPQ-NSHDSACASA-N 0 0 316.365 0.660 10 0 DCAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2nonc21 ZINC000268783798 238251277 /nfs/dbraw/zinc/25/12/77/238251277.db2.gz JHXWZYAVMSAADJ-SECBINFHSA-N 0 0 320.334 0.628 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cc1 ZINC000299908273 291251368 /nfs/dbraw/zinc/25/13/68/291251368.db2.gz UKALAJPJVFRBGQ-GXFFZTMASA-N 0 0 312.391 0.438 10 0 DCAERN CC(=O)N(CCC(=O)N1CC(C)(C(N)=O)C1)Cc1ccccc1 ZINC000566277384 291290360 /nfs/dbraw/zinc/29/03/60/291290360.db2.gz GLOQHZWYDVSQGS-UHFFFAOYSA-N 0 0 317.389 0.759 10 0 DCAERN COC1(CO)CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000401962290 239253621 /nfs/dbraw/zinc/25/36/21/239253621.db2.gz YCLJQSOVXFVOES-GFCCVEGCSA-N 0 0 306.428 0.436 10 0 DCAERN COc1ccc(Cl)cc1NC(=O)C[C@H]([NH2+]CCO)C(=O)[O-] ZINC000006647005 181364656 /nfs/dbraw/zinc/36/46/56/181364656.db2.gz BYBVGHPUYJLZHN-JTQLQIEISA-N 0 0 316.741 0.712 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2nccnc2N)cn1 ZINC000275480407 212361702 /nfs/dbraw/zinc/36/17/02/212361702.db2.gz UHCZVKJKXLJPLF-CMPLNLGQSA-N 0 0 302.338 0.442 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408456622 291328032 /nfs/dbraw/zinc/32/80/32/291328032.db2.gz JXONCCXFQZJWTD-WOPDTQHZSA-N 0 0 305.396 0.911 10 0 DCAERN COc1cc(NC(=O)c2ccc(S(N)(=O)=O)nc2)ccc1O ZINC000438117666 240461275 /nfs/dbraw/zinc/46/12/75/240461275.db2.gz FRKFNRVXHHYACG-UHFFFAOYSA-N 0 0 323.330 0.696 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](OC)C[C@H]2C)C1 ZINC000441133843 240498125 /nfs/dbraw/zinc/49/81/25/240498125.db2.gz NVFLLBUEZSKGFH-FRRDWIJNSA-N 0 0 312.414 0.999 10 0 DCAERN CN(C)c1ncn(-c2cccc(NC(=O)NCCC(N)=O)c2)n1 ZINC000441762603 240539179 /nfs/dbraw/zinc/53/91/79/240539179.db2.gz OXKYIEYRFFXOMU-UHFFFAOYSA-N 0 0 317.353 0.330 10 0 DCAERN CC(=O)[C@@H](C)CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000447350726 240592706 /nfs/dbraw/zinc/59/27/06/240592706.db2.gz UJGBPCQYEOEOPV-XXFAHNHDSA-N 0 0 317.345 0.778 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N(C)CC2CC(O)C2)c1 ZINC000091499079 193065317 /nfs/dbraw/zinc/06/53/17/193065317.db2.gz RUFJGWXKLQENFE-UHFFFAOYSA-N 0 0 313.375 0.865 10 0 DCAERN COc1ccc(-c2nc(CN3C[C@@H](O)[C@H](OC)C3)no2)cc1 ZINC000451746504 240696809 /nfs/dbraw/zinc/69/68/09/240696809.db2.gz CZSGZYXUUGKRRF-CHWSQXEVSA-N 0 0 305.334 0.937 10 0 DCAERN Cc1ccc(OCCC(=O)N2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000091782243 193106634 /nfs/dbraw/zinc/10/66/34/193106634.db2.gz IETDRDAIGXNQIR-ZDUSSCGKSA-N 0 0 306.362 0.785 10 0 DCAERN COc1ccccc1[C@@H](C)CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783037 193107128 /nfs/dbraw/zinc/10/71/28/193107128.db2.gz XKSTZBJHRDANCI-WCQYABFASA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000091780886 193107139 /nfs/dbraw/zinc/10/71/39/193107139.db2.gz MNFKJPVIHQNDTK-LBPRGKRZSA-N 0 0 312.753 0.822 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000091780293 193107206 /nfs/dbraw/zinc/10/72/06/193107206.db2.gz IOCZHGDUMIWWHV-SNVBAGLBSA-N 0 0 318.251 0.912 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C)[C@@H](OC)C2CC2)C1 ZINC000454686499 240802796 /nfs/dbraw/zinc/80/27/96/240802796.db2.gz UCHYIZOMUXZYRA-KGYLQXTDSA-N 0 0 312.414 0.903 10 0 DCAERN COCCN1CN(C(=O)c2cc(C)cc(C(=O)OC)c2)CC1=O ZINC000457781247 241035891 /nfs/dbraw/zinc/03/58/91/241035891.db2.gz CMCDKBRZWXCTNT-UHFFFAOYSA-N 0 0 320.345 0.670 10 0 DCAERN O=C(NCCc1ccc(Cl)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000457424593 241002924 /nfs/dbraw/zinc/00/29/24/241002924.db2.gz ZVMVFHLSLRUBRZ-CYBMUJFWSA-N 0 0 323.784 0.834 10 0 DCAERN O=C(NCCc1cccc(F)c1)NC[C@@H](O)Cn1ccnn1 ZINC000457513323 241010557 /nfs/dbraw/zinc/01/05/57/241010557.db2.gz OXZQQCLKFVIURI-CYBMUJFWSA-N 0 0 307.329 0.320 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)NCC1(c2ccccc2)CC1 ZINC000457560455 241014426 /nfs/dbraw/zinc/01/44/26/241014426.db2.gz IGWDGWUIMZNNMH-AWEZNQCLSA-N 0 0 315.377 0.670 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCN(c2ncc(F)cn2)CC1 ZINC000329771456 296087339 /nfs/dbraw/zinc/08/73/39/296087339.db2.gz GUWLKWFCTURGAP-XQQFMLRXSA-N 0 0 306.341 0.689 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CCC1=O ZINC000275288695 212250682 /nfs/dbraw/zinc/25/06/82/212250682.db2.gz UVSYKKLFEKBQTB-RFAUZJTJSA-N 0 0 307.350 0.144 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CCC1=O ZINC000275288688 212249304 /nfs/dbraw/zinc/24/93/04/212249304.db2.gz UVSYKKLFEKBQTB-BJOHPYRUSA-N 0 0 307.350 0.144 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1c(C)nn(CCC(=O)OC)c1C ZINC000092098265 193157445 /nfs/dbraw/zinc/15/74/45/193157445.db2.gz YHAUJLWCQJTVMT-AWEZNQCLSA-N 0 0 322.409 0.773 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@@H]1CCCCNC1=O ZINC000275225666 212208647 /nfs/dbraw/zinc/20/86/47/212208647.db2.gz AWPJBISTTCMGIY-VXGBXAGGSA-N 0 0 305.382 0.413 10 0 DCAERN O=C(NC[C@H]1Cc2ccccc2O1)N1CCN2CCOC[C@H]2C1 ZINC000568566538 291434880 /nfs/dbraw/zinc/43/48/80/291434880.db2.gz MAYHQOVSFQQPBS-HUUCEWRRSA-N 0 0 317.389 0.716 10 0 DCAERN CC[C@@]1(C)NC(=O)N(CC(=O)NCCOCC2CCC2)C1=O ZINC000568695034 291441636 /nfs/dbraw/zinc/44/16/36/291441636.db2.gz IDZRMZXTQWSVAV-OAHLLOKOSA-N 0 0 311.382 0.640 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367527221 291443538 /nfs/dbraw/zinc/44/35/38/291443538.db2.gz MUUUSFCQQHDQNY-XDQVBPFNSA-N 0 0 310.394 0.507 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(N2CCCC2)nn1 ZINC000112650600 284121325 /nfs/dbraw/zinc/12/13/25/284121325.db2.gz KZJSVLNMZRMKGW-LLVKDONJSA-N 0 0 313.365 0.413 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(=O)NC(C)(C)C ZINC000408238463 296137886 /nfs/dbraw/zinc/13/78/86/296137886.db2.gz SDYAODNTAJTFQI-HBNTYKKESA-N 0 0 321.443 0.233 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000093223336 193217905 /nfs/dbraw/zinc/21/79/05/193217905.db2.gz GSRVZSLRZRWUGR-SNVBAGLBSA-N 0 0 321.381 0.314 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3c[nH]cn3)CC2)n1 ZINC000093273294 193222580 /nfs/dbraw/zinc/22/25/80/193222580.db2.gz UZABSZDHSRFITI-UHFFFAOYSA-N 0 0 312.381 0.717 10 0 DCAERN CC(=O)Nc1ccccc1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093531429 193264892 /nfs/dbraw/zinc/26/48/92/193264892.db2.gz CYBMFBPROAOMIU-CYBMUJFWSA-N 0 0 311.407 0.769 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CSC[C@@H](O)CO)c1 ZINC000093958712 193332245 /nfs/dbraw/zinc/33/22/45/193332245.db2.gz NEWJEKZXBNVGSB-NSHDSACASA-N 0 0 305.421 0.523 10 0 DCAERN O=S(=O)(N1CCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000264756117 204131431 /nfs/dbraw/zinc/13/14/31/204131431.db2.gz NSHGVNGRDVNBID-JTQLQIEISA-N 0 0 303.409 0.857 10 0 DCAERN C[C@H]1CN(C(=O)c2sccc2-n2cnnn2)CC(=O)N1C ZINC000282466583 217016514 /nfs/dbraw/zinc/01/65/14/217016514.db2.gz UJIYJPWFTBOTSH-QMMMGPOBSA-N 0 0 306.351 0.027 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000182549281 296176304 /nfs/dbraw/zinc/17/63/04/296176304.db2.gz CICFPBCWWREVFT-DGCLKSJQSA-N 0 0 306.362 0.836 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282503373 217045552 /nfs/dbraw/zinc/04/55/52/217045552.db2.gz XHADJLVVMGZJLL-KMHUVPDISA-N 0 0 315.373 0.853 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282497510 217040806 /nfs/dbraw/zinc/04/08/06/217040806.db2.gz WVRMNGORWUYCOB-SNVBAGLBSA-N 0 0 316.365 0.217 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CC2)n1 ZINC000282719188 217198717 /nfs/dbraw/zinc/19/87/17/217198717.db2.gz QGWHWOMFVADSFW-MBNYWOFBSA-N 0 0 320.393 0.947 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)c1cnn(C)c1 ZINC000249750440 291550609 /nfs/dbraw/zinc/55/06/09/291550609.db2.gz QITAVUQRPXHVNT-UHTWSYAYSA-N 0 0 319.361 0.936 10 0 DCAERN CC(C)[C@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000017054408 182072157 /nfs/dbraw/zinc/07/21/57/182072157.db2.gz WBSZLZOCXRGSGV-JTQLQIEISA-N 0 0 309.391 0.886 10 0 DCAERN COCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 ZINC000019585346 182132239 /nfs/dbraw/zinc/13/22/39/182132239.db2.gz LDLCJCLSYHKCNF-UHFFFAOYSA-N 0 0 315.377 0.910 10 0 DCAERN CC(=O)N[C@H]1[C@@H](O)[C@H](F)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000022050107 182306212 /nfs/dbraw/zinc/30/62/12/182306212.db2.gz HAJHAJQQMKGKKF-AICCOOGYSA-N 0 0 313.325 0.124 10 0 DCAERN CC(=O)OC[C@H]1O[C@@H](F)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022059448 182306934 /nfs/dbraw/zinc/30/69/34/182306934.db2.gz OZIWIFNLCSFOGJ-LZQZFOIKSA-N 0 0 310.249 0.445 10 0 in-vitro DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000249370169 291632513 /nfs/dbraw/zinc/63/25/13/291632513.db2.gz OWAOTTHDQMNMAR-WCQGTBRESA-N 0 0 305.334 0.403 10 0 DCAERN CCCS(=O)(=O)Nc1c(F)cc(S(N)(=O)=O)cc1F ZINC000037011303 182860400 /nfs/dbraw/zinc/86/04/00/182860400.db2.gz LFAMNPZNALWHAJ-UHFFFAOYSA-N 0 0 314.335 0.764 10 0 DCAERN C[C@@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000189551869 296249140 /nfs/dbraw/zinc/24/91/40/296249140.db2.gz KWNAKSFLUNKUCF-MDZLAQPJSA-N 0 0 322.413 0.814 10 0 DCAERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000330021454 296252187 /nfs/dbraw/zinc/25/21/87/296252187.db2.gz XVWMUHDZTQHVPG-AXFHLTTASA-N 0 0 302.396 0.271 10 0 DCAERN C[C@H](CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)[NH+](C)C ZINC000037985792 182955231 /nfs/dbraw/zinc/95/52/31/182955231.db2.gz QPJFBOCTMYJPBI-MRVPVSSYSA-N 0 0 302.352 0.319 10 0 DCAERN NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000038106335 182991351 /nfs/dbraw/zinc/99/13/51/182991351.db2.gz HALYMKVHVVYEKS-RNFRBKRXSA-N 0 0 304.133 0.449 10 0 DCAERN CCCn1c(N)c(NC(C)=O)c(=O)n(CCCCCO)c1=O ZINC000039125289 183014092 /nfs/dbraw/zinc/01/40/92/183014092.db2.gz UBUFLJGZWLHSEJ-UHFFFAOYSA-N 0 0 312.370 0.123 10 0 DCAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000158385750 296267662 /nfs/dbraw/zinc/26/76/62/296267662.db2.gz GZQGBPKFNFSIQN-LBPRGKRZSA-N 0 0 323.418 0.411 10 0 DCAERN CN(C1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278680 183249912 /nfs/dbraw/zinc/24/99/12/183249912.db2.gz OCDRSQRDHZGRGB-UHFFFAOYSA-N 0 0 308.356 0.256 10 0 DCAERN CCC(CC)N(CCO)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000042516011 183279659 /nfs/dbraw/zinc/27/96/59/183279659.db2.gz XIWHGZFONUDHIX-UHFFFAOYSA-N 0 0 308.425 0.916 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@@H](O)Cc2ccccc2)n1 ZINC000103866817 193961584 /nfs/dbraw/zinc/96/15/84/193961584.db2.gz DDBPTHLBXHYKII-ZDUSSCGKSA-N 0 0 304.350 0.823 10 0 DCAERN CNC(=O)[C@H]1CCCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000104672446 194024330 /nfs/dbraw/zinc/02/43/30/194024330.db2.gz OULXDPVVARBKMT-OAHLLOKOSA-N 0 0 319.405 0.912 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000104799312 194041864 /nfs/dbraw/zinc/04/18/64/194041864.db2.gz XHGUDDLWZLNOBH-AWEZNQCLSA-N 0 0 309.414 0.520 10 0 DCAERN COCCN(CCO)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000104958577 194058775 /nfs/dbraw/zinc/05/87/75/194058775.db2.gz DORFUWAHHKGUCQ-KBPBESRZSA-N 0 0 300.399 0.097 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)nc(C(F)(F)F)n1 ZINC000187490126 291711598 /nfs/dbraw/zinc/71/15/98/291711598.db2.gz GHCNLAMUFRSWGS-MRVPVSSYSA-N 0 0 318.255 0.130 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000106397843 194206357 /nfs/dbraw/zinc/20/63/57/194206357.db2.gz NBFUIJHJRLUZDD-CQSZACIVSA-N 0 0 305.378 0.314 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000106392597 194206410 /nfs/dbraw/zinc/20/64/10/194206410.db2.gz WCRRVWPPHMMPQX-CYBMUJFWSA-N 0 0 323.393 0.315 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471177 295527254 /nfs/dbraw/zinc/52/72/54/295527254.db2.gz KOVZARHEKVTFRZ-SECBINFHSA-N 0 0 318.424 0.095 10 0 DCAERN CNC(=O)NC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814824 194289305 /nfs/dbraw/zinc/28/93/05/194289305.db2.gz ZAQJDZLYVBQMMV-LBPRGKRZSA-N 0 0 304.350 0.179 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110634592 194344455 /nfs/dbraw/zinc/34/44/55/194344455.db2.gz HLOFZQBSOSLKCV-MNOVXSKESA-N 0 0 306.395 0.908 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000111078325 194389021 /nfs/dbraw/zinc/38/90/21/194389021.db2.gz MJHVHDPAJBDKTE-CABCVRRESA-N 0 0 320.393 0.369 10 0 DCAERN CCN(CCC(=O)OC)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000038024321 284867014 /nfs/dbraw/zinc/86/70/14/284867014.db2.gz LZIZDMTUCFDWNA-LLVKDONJSA-N 0 0 320.411 0.070 10 0 DCAERN NC(=O)CN(CC(N)=O)Cc1cccc(Br)c1 ZINC000061808429 184188515 /nfs/dbraw/zinc/18/85/15/184188515.db2.gz NSEOZJUDBDXRLQ-UHFFFAOYSA-N 0 0 300.156 0.222 10 0 DCAERN Cn1cc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000065421604 184341798 /nfs/dbraw/zinc/34/17/98/184341798.db2.gz PURORTOHYCCVKH-CYBMUJFWSA-N 0 0 301.350 0.316 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000176776226 252604320 /nfs/dbraw/zinc/60/43/20/252604320.db2.gz PPHMDXIFEISCCH-SECBINFHSA-N 0 0 317.411 0.308 10 0 DCAERN CCOCCONC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185782864 252612905 /nfs/dbraw/zinc/61/29/05/252612905.db2.gz GXWJQTKPUAVYJL-NSHDSACASA-N 0 0 311.386 0.984 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](C)O)C(C)C ZINC000098078129 252591116 /nfs/dbraw/zinc/59/11/16/252591116.db2.gz SZSUCKYCAYXDCK-SMDDNHRTSA-N 0 0 308.378 0.947 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2Cc3ccccc3S2)C1 ZINC000314290426 252643680 /nfs/dbraw/zinc/64/36/80/252643680.db2.gz KODLCUAZXNHYHG-WFASDCNBSA-N 0 0 306.387 0.542 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000333070414 252676516 /nfs/dbraw/zinc/67/65/16/252676516.db2.gz OQQPBKBNWKXQFM-XQQFMLRXSA-N 0 0 305.382 0.746 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000333079778 252677481 /nfs/dbraw/zinc/67/74/81/252677481.db2.gz FFZFEIDZMVYXIN-YPMHNXCESA-N 0 0 304.412 0.486 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333187581 252690620 /nfs/dbraw/zinc/69/06/20/252690620.db2.gz RFYZFYDKRKNOEZ-RHYQMDGZSA-N 0 0 322.452 0.128 10 0 DCAERN COCc1nc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)no1 ZINC000333218151 252694719 /nfs/dbraw/zinc/69/47/19/252694719.db2.gz CYHLHHUKBOXLQF-MNOVXSKESA-N 0 0 322.365 0.737 10 0 DCAERN O=S(=O)(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333228072 252695000 /nfs/dbraw/zinc/69/50/00/252695000.db2.gz XUCBGYSSSRDIMW-VZZFWQQMSA-N 0 0 303.424 0.882 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)C1 ZINC000333611934 252743907 /nfs/dbraw/zinc/74/39/07/252743907.db2.gz FAELZLGZMULETP-QWHCGFSZSA-N 0 0 315.439 0.898 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)[C@H](C)CO)c1 ZINC000338902915 253007851 /nfs/dbraw/zinc/00/78/51/253007851.db2.gz SDXIMTAYCTXMRX-SNVBAGLBSA-N 0 0 307.350 0.447 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000339944654 253167663 /nfs/dbraw/zinc/16/76/63/253167663.db2.gz GJEFFIIDVLKZMM-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000340002307 253180081 /nfs/dbraw/zinc/18/00/81/253180081.db2.gz IJBJSYRRJAIWIK-QWRGUYRKSA-N 0 0 307.416 0.133 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@@H]1O ZINC000273051948 210431498 /nfs/dbraw/zinc/43/14/98/210431498.db2.gz WXBALZSIOPJEMP-RYUDHWBXSA-N 0 0 318.377 0.892 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000340912344 253321478 /nfs/dbraw/zinc/32/14/78/253321478.db2.gz JPARDZBGKADSMR-LBPRGKRZSA-N 0 0 318.439 0.874 10 0 DCAERN Cc1noc([C@@H]2C[C@H](O)CN2CC(=O)NCc2cccs2)n1 ZINC000341110891 253344677 /nfs/dbraw/zinc/34/46/77/253344677.db2.gz VAQOKQHOAJXVLR-JQWIXIFHSA-N 0 0 322.390 0.864 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)c1 ZINC000288643538 220316731 /nfs/dbraw/zinc/31/67/31/220316731.db2.gz ULRRRFBHQXNMBB-MRXNPFEDSA-N 0 0 319.361 0.737 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CCC3(CC3)CC1)C2 ZINC000288662226 220331283 /nfs/dbraw/zinc/33/12/83/220331283.db2.gz PAIPUNHXXCHKEY-UHFFFAOYSA-N 0 0 317.393 0.768 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000286480152 219011830 /nfs/dbraw/zinc/01/18/30/219011830.db2.gz LONUVUPSELXACQ-NSHDSACASA-N 0 0 304.133 0.451 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCC[C@H](C)O)c1 ZINC000343765025 253699325 /nfs/dbraw/zinc/69/93/25/253699325.db2.gz XLRWIDGKVIXXRH-JTQLQIEISA-N 0 0 307.350 0.495 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCC2(O)CCC2)c1 ZINC000343739759 253694580 /nfs/dbraw/zinc/69/45/80/253694580.db2.gz BZJSYSGWINSPPS-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN O=C1NC[C@H]2CN([C@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517297 296384876 /nfs/dbraw/zinc/38/48/76/296384876.db2.gz RHTLTKNDGURHQQ-ZFWWWQNUSA-N 0 0 317.364 0.846 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@H](C)CC[S@@](C)=O)on1 ZINC000346161153 254016614 /nfs/dbraw/zinc/01/66/14/254016614.db2.gz WZDPGAVETZTKIJ-ZPWHCFADSA-N 0 0 302.352 0.738 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000104361785 220435781 /nfs/dbraw/zinc/43/57/81/220435781.db2.gz ATUNLMGVYHXVFF-TZMCWYRMSA-N 0 0 318.373 0.983 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000177435579 220454671 /nfs/dbraw/zinc/45/46/71/220454671.db2.gz ZZCJCLUXVZENSG-ZFWWWQNUSA-N 0 0 304.390 0.917 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CC1(CO)CC1)CC2 ZINC000187178691 220457304 /nfs/dbraw/zinc/45/73/04/220457304.db2.gz VKEKWZMBCFEAGC-LLVKDONJSA-N 0 0 307.398 0.569 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000347655267 254176015 /nfs/dbraw/zinc/17/60/15/254176015.db2.gz PQSNIHDKMGJQFG-KSTCHIGDSA-N 0 0 310.394 0.735 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000351401873 254336419 /nfs/dbraw/zinc/33/64/19/254336419.db2.gz MZVXSRALBXAEIX-OPRDCNLKSA-N 0 0 323.315 0.968 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000351484109 254338512 /nfs/dbraw/zinc/33/85/12/254338512.db2.gz QOMBMPCCOWIRSF-DZGCQCFKSA-N 0 0 314.426 0.581 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cn1)S(N)(=O)=O ZINC000350616228 254318997 /nfs/dbraw/zinc/31/89/97/254318997.db2.gz PEIMZBZGZMRSCC-LURJTMIESA-N 0 0 311.285 0.507 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350629646 254321207 /nfs/dbraw/zinc/32/12/07/254321207.db2.gz QJCAONBBPXMBMO-VIFPVBQESA-N 0 0 314.363 0.061 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000350634556 254321711 /nfs/dbraw/zinc/32/17/11/254321711.db2.gz CVVXNTLUWHOHHS-ZDUSSCGKSA-N 0 0 317.345 0.565 10 0 DCAERN CC(=O)c1cccc(NC(=O)Cn2nnn(C3CC3)c2=O)c1 ZINC000351847937 254374671 /nfs/dbraw/zinc/37/46/71/254374671.db2.gz KZTAWTOFYWKRDK-UHFFFAOYSA-N 0 0 301.306 0.616 10 0 DCAERN Cn1ccc(C(=O)N2C[C@H]3CCN(c4cnccn4)C[C@H]3C2)n1 ZINC000248153536 257108534 /nfs/dbraw/zinc/10/85/34/257108534.db2.gz VAPGXNXAIVRYAR-OLZOCXBDSA-N 0 0 312.377 0.809 10 0 DCAERN COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccoc1C)C2 ZINC000248049753 257109063 /nfs/dbraw/zinc/10/90/63/257109063.db2.gz WQKKZCLXTMCJPE-LLVKDONJSA-N 0 0 313.375 0.864 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2O[C@H](c3nc(C)no3)C[C@@H]2C1 ZINC000248050230 257109417 /nfs/dbraw/zinc/10/94/17/257109417.db2.gz WYEIGKJOBRETFX-VWYCJHECSA-N 0 0 301.368 0.880 10 0 DCAERN Cc1noc(C[C@@H]2C[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]3O2)n1 ZINC000247958822 257112639 /nfs/dbraw/zinc/11/26/39/257112639.db2.gz NKLJMTQPBFLJJD-SCVCMEIPSA-N 0 0 313.379 0.502 10 0 DCAERN COc1cc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NC3CC3)C2)ncn1 ZINC000247904513 257115050 /nfs/dbraw/zinc/11/50/50/257115050.db2.gz RWYFHZWCMUISQZ-UPJWGTAASA-N 0 0 318.377 0.605 10 0 DCAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC000247564445 257118150 /nfs/dbraw/zinc/11/81/50/257118150.db2.gz ZYEFULFLQVPQMT-JKSUJKDBSA-N 0 0 324.446 0.727 10 0 DCAERN O=C([C@@H]1C[C@H]2CCN(c3ncc(F)cn3)C[C@@H]2O1)N1CCCO1 ZINC000247805349 257118275 /nfs/dbraw/zinc/11/82/75/257118275.db2.gz YXZCLENMVSLTHP-WXHSDQCUSA-N 0 0 322.340 0.763 10 0 DCAERN O=C(NC1CCC1)[C@@H]1CN(c2ncccn2)C[C@@H]2OCC[C@@H]21 ZINC000247753859 257118659 /nfs/dbraw/zinc/11/86/59/257118659.db2.gz WAOWSIAMRFTKMD-MCIONIFRSA-N 0 0 302.378 0.987 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247468507 257119227 /nfs/dbraw/zinc/11/92/27/257119227.db2.gz DMLPMBDEGDBDQS-HNNXBMFYSA-N 0 0 304.394 0.945 10 0 DCAERN COc1cc(C[C@](C)(NN)C(N)=O)cc(Br)c1O ZINC000504610513 257143741 /nfs/dbraw/zinc/14/37/41/257143741.db2.gz NJEKBQBAICRIGO-NSHDSACASA-N 0 0 318.171 0.413 10 0 DCAERN O=C1c2no[n+]([O-])c2CCC1(Br)Br ZINC000003101714 296441419 /nfs/dbraw/zinc/44/14/19/296441419.db2.gz LZMNPUJDMPBDAH-UHFFFAOYSA-N 0 0 311.917 0.923 10 0 DCAERN CC(C)CN1C[C@H](C(=O)N2CCSC[C@H]2CCO)CC1=O ZINC000556828863 288397908 /nfs/dbraw/zinc/39/79/08/288397908.db2.gz RUUAGARLTBZISW-CHWSQXEVSA-N 0 0 314.451 0.817 10 0 DCAERN C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@H](C)CO ZINC000193496110 533629334 /nfs/dbraw/zinc/62/93/34/533629334.db2.gz MXFGVLVLYIHEFN-GHMZBOCLSA-N 0 0 319.361 0.697 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CCO1 ZINC000272975244 130078808 /nfs/dbraw/zinc/07/88/08/130078808.db2.gz CSJOSCVVJULNRG-HNNXBMFYSA-N 0 0 318.373 0.858 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2cccs2)n1 ZINC000275334340 130305912 /nfs/dbraw/zinc/30/59/12/130305912.db2.gz QUSOFTITRSRGSU-RKDXNWHRSA-N 0 0 315.376 0.936 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000276743017 130541454 /nfs/dbraw/zinc/54/14/54/130541454.db2.gz ROZSXUGCRDSMKP-BNOWGMLFSA-N 0 0 320.393 0.868 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000277020880 130573305 /nfs/dbraw/zinc/57/33/05/130573305.db2.gz MVNBFJZRWHEMOC-KBPBESRZSA-N 0 0 320.393 0.801 10 0 DCAERN Cn1nccc1CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000277639298 130629413 /nfs/dbraw/zinc/62/94/13/130629413.db2.gz DFHNDFDIHYBOIK-CYBMUJFWSA-N 0 0 304.394 0.727 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@]2(O)CCSC2)C1 ZINC000278637106 130708963 /nfs/dbraw/zinc/70/89/63/130708963.db2.gz YLSMJXMZHSAHJG-RISCZKNCSA-N 0 0 310.423 0.373 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCCSCC1 ZINC000283845266 131028943 /nfs/dbraw/zinc/02/89/43/131028943.db2.gz BUJWSJNZZKNNEI-LBPRGKRZSA-N 0 0 322.434 0.879 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284043084 131043807 /nfs/dbraw/zinc/04/38/07/131043807.db2.gz OXOZASYNSIZPKG-MCIONIFRSA-N 0 0 307.398 0.386 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285023602 131132066 /nfs/dbraw/zinc/13/20/66/131132066.db2.gz HRKSUSGKDPUHCD-UONOGXRCSA-N 0 0 318.381 0.317 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494504 131174523 /nfs/dbraw/zinc/17/45/23/131174523.db2.gz RJXSDUFKNZBJHM-NWDGAFQWSA-N 0 0 310.423 0.800 10 0 DCAERN COc1ccc(CCC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1F ZINC000285534106 131178754 /nfs/dbraw/zinc/17/87/54/131178754.db2.gz NUDMKQOFWYKWCW-MRXNPFEDSA-N 0 0 324.352 0.606 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC000285628135 131187870 /nfs/dbraw/zinc/18/78/70/131187870.db2.gz SQZDRSCTBCJHID-WBAXXEDZSA-N 0 0 314.385 0.729 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163849667 132124310 /nfs/dbraw/zinc/12/43/10/132124310.db2.gz DCGTUPOYDDHCJC-BETUJISGSA-N 0 0 312.373 0.749 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000120486325 132144211 /nfs/dbraw/zinc/14/42/11/132144211.db2.gz OGTFYGYUANAMDA-VHSXEESVSA-N 0 0 300.380 0.341 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000122359515 132163701 /nfs/dbraw/zinc/16/37/01/132163701.db2.gz WQHNLBWZOZYTGO-UHFFFAOYSA-N 0 0 323.780 0.761 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173626228 285555181 /nfs/dbraw/zinc/55/51/81/285555181.db2.gz LOIMWNOVQMQAHR-UWVGGRQHSA-N 0 0 308.386 0.499 10 0 DCAERN COCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1 ZINC000065226203 134818793 /nfs/dbraw/zinc/81/87/93/134818793.db2.gz PJPJUMZAPUFADQ-UHFFFAOYSA-N 0 0 321.425 0.912 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000186900538 292032350 /nfs/dbraw/zinc/03/23/50/292032350.db2.gz PPKGOMHAUYMFKF-LLVKDONJSA-N 0 0 324.377 0.983 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012612400 395687890 /nfs/dbraw/zinc/68/78/90/395687890.db2.gz IEOFYNAYGNOIMC-HNNXBMFYSA-N 0 0 317.389 0.472 10 0 DCAERN Cc1cc(N2CCN(c3ccnc(CO)n3)CC2)nc(C)n1 ZINC000013472142 395688607 /nfs/dbraw/zinc/68/86/07/395688607.db2.gz HMZUBWOMXXMECF-UHFFFAOYSA-N 0 0 300.366 0.702 10 0 DCAERN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@H]1O ZINC000013514550 395688616 /nfs/dbraw/zinc/68/86/16/395688616.db2.gz MWHKPYATGMFFPI-YIDVYQOGSA-N 0 0 306.314 0.019 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000022755970 395692001 /nfs/dbraw/zinc/69/20/01/395692001.db2.gz AWFRPFGKRXXTRT-OAHLLOKOSA-N 0 0 317.389 0.330 10 0 DCAERN CC1(C)O[C@H]2[C@H]3O[C@H](C(=O)c4nc5c(ncnc5N)n43)[C@H]2O1 ZINC000002381517 395681552 /nfs/dbraw/zinc/68/15/52/395681552.db2.gz PMBIEZSWQVXOIC-BMYQGPEFSA-N 0 0 303.278 0.022 10 0 DCAERN C[C@H](Sc1nnc(C2CC2)[nH]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000030628275 395703644 /nfs/dbraw/zinc/70/36/44/395703644.db2.gz UDXARGGNITUZJR-QMMMGPOBSA-N 0 0 323.422 0.900 10 0 DCAERN C[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000032644859 395711910 /nfs/dbraw/zinc/71/19/10/395711910.db2.gz KBBQVOAAFDWJPG-LLVKDONJSA-N 0 0 301.346 0.948 10 0 DCAERN COC(=O)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000032990284 395715744 /nfs/dbraw/zinc/71/57/44/395715744.db2.gz BBCGNDQKXUHXRP-CQSZACIVSA-N 0 0 318.373 0.757 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)cc1C ZINC000036105685 395722500 /nfs/dbraw/zinc/72/25/00/395722500.db2.gz FAIDXZHSNFVCSU-UHFFFAOYSA-N 0 0 319.405 0.482 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000028174032 395695769 /nfs/dbraw/zinc/69/57/69/395695769.db2.gz SASMOSFNBCTOHH-LBPRGKRZSA-N 0 0 307.419 0.830 10 0 DCAERN CCCN(CCC)S(=O)(=O)Nc1cnn(CC(=O)OC)c1 ZINC000038030608 395730847 /nfs/dbraw/zinc/73/08/47/395730847.db2.gz PKPXBTPEIDHACW-UHFFFAOYSA-N 0 0 318.399 0.835 10 0 DCAERN O=C(CCn1cncn1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000041815393 395739485 /nfs/dbraw/zinc/73/94/85/395739485.db2.gz BAFPGCFAHYOUFO-JTQLQIEISA-N 0 0 320.378 0.754 10 0 DCAERN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2cc(C)no2)CN1C ZINC000096141121 395746328 /nfs/dbraw/zinc/74/63/28/395746328.db2.gz YROGOLPDGYRFRG-OCCSQVGLSA-N 0 0 322.409 0.583 10 0 DCAERN O=C(Nc1nncs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000043130354 395752200 /nfs/dbraw/zinc/75/22/00/395752200.db2.gz SHRPMIUYWXOQHX-VIFPVBQESA-N 0 0 311.367 0.393 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000106398009 395782524 /nfs/dbraw/zinc/78/25/24/395782524.db2.gz ZKIBEQJUPIJFHZ-PEBXRYMYSA-N 0 0 324.446 0.953 10 0 DCAERN CCOCCOCC(=O)NCC(=O)N1CCc2ccccc21 ZINC000101843435 395767518 /nfs/dbraw/zinc/76/75/18/395767518.db2.gz DTVIYGAFTYRHQT-UHFFFAOYSA-N 0 0 306.362 0.745 10 0 DCAERN Cn1cc(CCCNC(=O)Cn2c(=O)[nH]c3ccccc32)cn1 ZINC000102649956 395770828 /nfs/dbraw/zinc/77/08/28/395770828.db2.gz OWNIKRRLFKGASQ-UHFFFAOYSA-N 0 0 313.361 0.812 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)NCCc2ccsc2)CC1 ZINC000046227563 395773449 /nfs/dbraw/zinc/77/34/49/395773449.db2.gz GHULGLORLNZZQS-UHFFFAOYSA-N 0 0 324.450 0.754 10 0 DCAERN CN1CC[C@H](CNC(=O)CSCC(N)=O)c2ccccc21 ZINC000193663855 395776700 /nfs/dbraw/zinc/77/67/00/395776700.db2.gz JCEZGLSLUCYZKD-LLVKDONJSA-N 0 0 307.419 0.945 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CCCCC(=O)N1 ZINC000193737674 395778097 /nfs/dbraw/zinc/77/80/97/395778097.db2.gz FJRVOUNCMHUYMM-CYBMUJFWSA-N 0 0 318.377 0.916 10 0 DCAERN Cc1ccn(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)c1 ZINC000194771958 395807828 /nfs/dbraw/zinc/80/78/28/395807828.db2.gz JUSVBXXZTKVFMT-LSDHHAIUSA-N 0 0 319.405 0.336 10 0 DCAERN O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000194826963 395809257 /nfs/dbraw/zinc/80/92/57/395809257.db2.gz SNXAFUFZSUISDL-NSHDSACASA-N 0 0 302.309 0.764 10 0 DCAERN CN(C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000048192312 395810183 /nfs/dbraw/zinc/81/01/83/395810183.db2.gz VIWXUHOLNKKHIM-UHFFFAOYSA-N 0 0 304.393 0.471 10 0 DCAERN COC(=O)c1cc(CN(C)C[C@H](O)CN2CCCC2=O)oc1C ZINC000111681843 395811493 /nfs/dbraw/zinc/81/14/93/395811493.db2.gz QLDASZFCNQFRTM-LBPRGKRZSA-N 0 0 324.377 0.790 10 0 DCAERN O=C(NCCCN1CCOCC1)c1cc(=O)c2ccccc2[nH]1 ZINC000048533998 395816408 /nfs/dbraw/zinc/81/64/08/395816408.db2.gz IUPZTNJSTFDRAR-UHFFFAOYSA-N 0 0 315.373 0.980 10 0 DCAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCN(C2CC2)CC1 ZINC000195129888 395816842 /nfs/dbraw/zinc/81/68/42/395816842.db2.gz IIJSFYKFLSJICD-QWRGUYRKSA-N 0 0 319.327 0.750 10 0 DCAERN COCCN(C[C@@H](O)CN1CCOCC1)CC(F)(F)F ZINC000112408589 395818268 /nfs/dbraw/zinc/81/82/68/395818268.db2.gz YYFZQJGCLZISRJ-NSHDSACASA-N 0 0 300.321 0.190 10 0 DCAERN CC1(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)COC1 ZINC000112616405 395819653 /nfs/dbraw/zinc/81/96/53/395819653.db2.gz CXNKOMZIJWRULJ-UHFFFAOYSA-N 0 0 324.402 0.775 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCc2ncnn2C1 ZINC000112647144 395820297 /nfs/dbraw/zinc/82/02/97/395820297.db2.gz NNGCNSITKIWJTR-GFCCVEGCSA-N 0 0 324.348 0.063 10 0 DCAERN CN(CC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)c1cccs1 ZINC000112653272 395820736 /nfs/dbraw/zinc/82/07/36/395820736.db2.gz RCLOZESTSICHFW-SNVBAGLBSA-N 0 0 319.390 0.543 10 0 DCAERN C[C@H]1NC(C(=O)NCC2(C)COC2)=NN(c2ccccc2)C1=O ZINC000112693760 395821269 /nfs/dbraw/zinc/82/12/69/395821269.db2.gz VEUPMHZQFRAKRT-LLVKDONJSA-N 0 0 316.361 0.478 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112725346 395823441 /nfs/dbraw/zinc/82/34/41/395823441.db2.gz BFMISSXOTZGXMM-GFCCVEGCSA-N 0 0 317.324 0.278 10 0 DCAERN CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327193 395824324 /nfs/dbraw/zinc/82/43/24/395824324.db2.gz BLIQYWVJARIAOO-GFCCVEGCSA-N 0 0 323.418 0.978 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)C1(C)C ZINC000112899374 395825432 /nfs/dbraw/zinc/82/54/32/395825432.db2.gz XKXNQHWRSMWRIE-NSHDSACASA-N 0 0 318.377 0.934 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)C(N)=O ZINC000112907016 395825606 /nfs/dbraw/zinc/82/56/06/395825606.db2.gz SEJNFVFMYAIDAP-CMPLNLGQSA-N 0 0 306.366 0.823 10 0 DCAERN CCCCCNC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427547 395826262 /nfs/dbraw/zinc/82/62/62/395826262.db2.gz VXGDPUTYTTUKQR-UHFFFAOYSA-N 0 0 317.415 0.475 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429042 395826374 /nfs/dbraw/zinc/82/63/74/395826374.db2.gz YNRKSRAGYFKAGN-UWVGGRQHSA-N 0 0 317.415 0.472 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000116782218 395845359 /nfs/dbraw/zinc/84/53/59/395845359.db2.gz HDOLMHPGOXCDJO-ZIAGYGMSSA-N 0 0 319.409 0.612 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000116832961 395847057 /nfs/dbraw/zinc/84/70/57/395847057.db2.gz BBMJHMKWYYLIFI-SECBINFHSA-N 0 0 303.771 0.499 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)C[C@H](C)O1 ZINC000220716934 395849648 /nfs/dbraw/zinc/84/96/48/395849648.db2.gz XVPACIOMYHLLOQ-MBNYWOFBSA-N 0 0 314.407 0.664 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC000117180379 395851621 /nfs/dbraw/zinc/85/16/21/395851621.db2.gz AUVUUUDWSAJUFL-LBPRGKRZSA-N 0 0 316.365 0.467 10 0 DCAERN CC[C@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1CCOC ZINC000117305784 395852208 /nfs/dbraw/zinc/85/22/08/395852208.db2.gz BAHVHAJEHAZBRE-ZDUSSCGKSA-N 0 0 324.425 0.920 10 0 DCAERN Cc1cnn(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000117809745 395855246 /nfs/dbraw/zinc/85/52/46/395855246.db2.gz FKDHHLOBCMEWRK-UHFFFAOYSA-N 0 0 319.365 0.172 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000117813783 395855316 /nfs/dbraw/zinc/85/53/16/395855316.db2.gz UDFAYTGYKBKOQP-UHFFFAOYSA-N 0 0 312.329 0.847 10 0 DCAERN Cc1cnn(CCNC(=O)CN(C)c2ncnc3nc[nH]c32)c1 ZINC000117815142 395855346 /nfs/dbraw/zinc/85/53/46/395855346.db2.gz HRTPUHRWTPDIAH-UHFFFAOYSA-N 0 0 314.353 0.110 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000194233608 395791920 /nfs/dbraw/zinc/79/19/20/395791920.db2.gz OVTJUPVKNCXEQH-BXKDBHETSA-N 0 0 300.318 0.991 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000194337558 395793872 /nfs/dbraw/zinc/79/38/72/395793872.db2.gz VURAVZGZMMWALY-AWEZNQCLSA-N 0 0 321.425 0.890 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109088107 395796079 /nfs/dbraw/zinc/79/60/79/395796079.db2.gz AOUJISYFRAMVMH-BDAKNGLRSA-N 0 0 304.318 0.473 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccnn1C ZINC000109106833 395796460 /nfs/dbraw/zinc/79/64/60/395796460.db2.gz WVDSCZBMBFBLSW-CYBMUJFWSA-N 0 0 300.362 0.849 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC(C)(C)C(=O)OC ZINC000234563863 395888782 /nfs/dbraw/zinc/88/87/82/395888782.db2.gz XHFOHEMTURXLFN-BDAKNGLRSA-N 0 0 307.368 0.199 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H](C)O1 ZINC000123994643 395899107 /nfs/dbraw/zinc/89/91/07/395899107.db2.gz NSSRYOZSIVTMLJ-OCCSQVGLSA-N 0 0 306.362 0.912 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NC(=O)NCc1cccs1 ZINC000125951228 395908328 /nfs/dbraw/zinc/90/83/28/395908328.db2.gz ACPVXTRHNYQTEU-UHFFFAOYSA-N 0 0 322.434 0.854 10 0 DCAERN Cc1ncc(I)c(=O)n1CC[C@H](C)O ZINC000134036566 395930284 /nfs/dbraw/zinc/93/02/84/395930284.db2.gz UMLPFQOSRGDCIH-LURJTMIESA-N 0 0 308.119 0.927 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)NCCN2CCCS2(=O)=O)o1 ZINC000127667523 395915788 /nfs/dbraw/zinc/91/57/88/395915788.db2.gz OFZXIRPULUGEBO-NSHDSACASA-N 0 0 315.395 0.984 10 0 DCAERN COc1cccc(CNC(=O)c2ccccc2-n2cnnn2)n1 ZINC000128305400 395917495 /nfs/dbraw/zinc/91/74/95/395917495.db2.gz KUPVODCCMFFQEX-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000134156567 395930978 /nfs/dbraw/zinc/93/09/78/395930978.db2.gz BAFSWHRGAGHXEW-LLVKDONJSA-N 0 0 304.412 0.328 10 0 DCAERN CCc1ncc(NC(=O)N2CCN([C@H](CC)CO)CC2)cn1 ZINC000119192156 395867754 /nfs/dbraw/zinc/86/77/54/395867754.db2.gz HYKWHVQZPQFGLV-CYBMUJFWSA-N 0 0 307.398 0.959 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(C(N)=O)o1 ZINC000119270364 395868845 /nfs/dbraw/zinc/86/88/45/395868845.db2.gz RARBGVJYQBONCY-NSHDSACASA-N 0 0 324.381 0.873 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000228065864 395870423 /nfs/dbraw/zinc/87/04/23/395870423.db2.gz YJVKPXKPJJSAEB-SVRRBLITSA-N 0 0 313.832 0.464 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000228064084 395870698 /nfs/dbraw/zinc/87/06/98/395870698.db2.gz XBSMZCZZCQMHFK-IUCAKERBSA-N 0 0 307.803 0.903 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000119624219 395873293 /nfs/dbraw/zinc/87/32/93/395873293.db2.gz OCGULNUQYFDWGA-HUUCEWRRSA-N 0 0 307.394 0.658 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000245399989 395928136 /nfs/dbraw/zinc/92/81/36/395928136.db2.gz BGSMJXPUIWXGDE-NWDGAFQWSA-N 0 0 304.412 0.848 10 0 DCAERN O=C(C1=COCCC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119754000 395875107 /nfs/dbraw/zinc/87/51/07/395875107.db2.gz IDOFTJFDSYWGPK-ZDUSSCGKSA-N 0 0 314.407 0.707 10 0 DCAERN CCc1cccc(CC(=O)NCCN2CCCS2(=O)=O)c1 ZINC000119833219 395876591 /nfs/dbraw/zinc/87/65/91/395876591.db2.gz BQPYTUWXABOIKZ-UHFFFAOYSA-N 0 0 310.419 0.943 10 0 DCAERN CN1CC[C@@H](Nc2ncncc2I)C1=O ZINC000230270130 395880142 /nfs/dbraw/zinc/88/01/42/395880142.db2.gz VAOOWBXQCIXBPZ-SSDOTTSWSA-N 0 0 318.118 0.724 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)[C@H]1CCCO1 ZINC000120367841 395882372 /nfs/dbraw/zinc/88/23/72/395882372.db2.gz OQVDREHJLVUWEG-JOYOIKCWSA-N 0 0 304.350 0.976 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000152040732 395998565 /nfs/dbraw/zinc/99/85/65/395998565.db2.gz FCMCXCRUJUMASD-GFCCVEGCSA-N 0 0 320.397 0.458 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1CC(F)F ZINC000245759831 395936093 /nfs/dbraw/zinc/93/60/93/395936093.db2.gz PTUFVLDYZGBNAG-VXGBXAGGSA-N 0 0 305.369 0.505 10 0 DCAERN CCc1noc([C@H](C)N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135052187 395937121 /nfs/dbraw/zinc/93/71/21/395937121.db2.gz LYXQUZTYGPJOPQ-NSHDSACASA-N 0 0 317.397 0.883 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cccc(Br)c2)C1 ZINC000276456681 395998884 /nfs/dbraw/zinc/99/88/84/395998884.db2.gz HPGMAFHFCKBBLD-LBPRGKRZSA-N 0 0 313.151 0.511 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC000246093575 395941713 /nfs/dbraw/zinc/94/17/13/395941713.db2.gz COLFUHDFVPTLFY-VWYCJHECSA-N 0 0 310.316 0.933 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000136093442 395944660 /nfs/dbraw/zinc/94/46/60/395944660.db2.gz KRUDXMQEZKOZFL-UHFFFAOYSA-N 0 0 314.411 0.355 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000246769093 395957099 /nfs/dbraw/zinc/95/70/99/395957099.db2.gz PGEQXCUYNJMSLX-KGLIPLIRSA-N 0 0 322.405 0.988 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000246858494 395959427 /nfs/dbraw/zinc/95/94/27/395959427.db2.gz FIRMFKPSFRMLKL-YPMHNXCESA-N 0 0 307.398 0.745 10 0 DCAERN CCOCCN1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000247090304 395966721 /nfs/dbraw/zinc/96/67/21/395966721.db2.gz HMULLSQARQSSIW-CABCVRRESA-N 0 0 313.442 0.324 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247096727 395966921 /nfs/dbraw/zinc/96/69/21/395966921.db2.gz MGLXXLFFISMYOK-SDDRHHMPSA-N 0 0 305.444 0.303 10 0 DCAERN CCOCCN1CCN(CC(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000247090312 395967118 /nfs/dbraw/zinc/96/71/18/395967118.db2.gz HMULLSQARQSSIW-HUUCEWRRSA-N 0 0 313.442 0.324 10 0 DCAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)N3CCCCC3)CCO2)[nH]1 ZINC000247176815 395967674 /nfs/dbraw/zinc/96/76/74/395967674.db2.gz RPKOYLSNUFPZHE-DGCLKSJQSA-N 0 0 307.398 0.887 10 0 DCAERN COCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC000247197522 395968926 /nfs/dbraw/zinc/96/89/26/395968926.db2.gz OSUJYLLANQYZRU-GHMZBOCLSA-N 0 0 311.348 0.706 10 0 DCAERN CNC(=O)[C@@H]1CCCN(c2ccc(C(=O)OC)c(OC)n2)C1 ZINC000274714052 395970265 /nfs/dbraw/zinc/97/02/65/395970265.db2.gz YWYUEBNWAJQNJR-SNVBAGLBSA-N 0 0 307.350 0.839 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C[C@@H](O)COC(C)C)CCO2)n1 ZINC000247253868 395970567 /nfs/dbraw/zinc/97/05/67/395970567.db2.gz UEABOIAKWCWSGY-HZPDHXFCSA-N 0 0 311.426 0.987 10 0 DCAERN C[C@@H](CN1CCOCC1)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000150723263 395972048 /nfs/dbraw/zinc/97/20/48/395972048.db2.gz YVAHGLXGBBGGHW-LBPRGKRZSA-N 0 0 303.362 0.658 10 0 DCAERN O=C(NC1CC1)c1cccc(S(=O)(=O)N2CC(CO)C2)c1 ZINC000274761864 395974658 /nfs/dbraw/zinc/97/46/58/395974658.db2.gz NRWBRYWHMGDIST-UHFFFAOYSA-N 0 0 310.375 0.192 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCCC[C@H]1CO ZINC000150988549 395977270 /nfs/dbraw/zinc/97/72/70/395977270.db2.gz RMVIVHAQASFPCG-WCQYABFASA-N 0 0 309.366 0.746 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCC[C@@H](n4cncn4)C3)C2=O)cn1 ZINC000247746519 395978118 /nfs/dbraw/zinc/97/81/18/395978118.db2.gz YFMZZTCUCXZRKP-OCCSQVGLSA-N 0 0 315.381 0.454 10 0 DCAERN C[C@H]1COCCN1c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000152136717 396001394 /nfs/dbraw/zinc/00/13/94/396001394.db2.gz QJRCDEDTSYJLRT-NWDGAFQWSA-N 0 0 303.362 0.986 10 0 DCAERN O=C(CN1C(=O)CSc2ccccc21)N[C@H]1CCCNC1=O ZINC000064092625 395984396 /nfs/dbraw/zinc/98/43/96/395984396.db2.gz AFJUVFZSMAPERX-JTQLQIEISA-N 0 0 319.386 0.520 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000151403892 395985113 /nfs/dbraw/zinc/98/51/13/395985113.db2.gz FBVHVGWHNLVZNE-UTUOFQBUSA-N 0 0 306.370 0.119 10 0 DCAERN CCc1nnc(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000151451777 395985972 /nfs/dbraw/zinc/98/59/72/395985972.db2.gz KBYNNZFMMWNCCH-ZETCQYMHSA-N 0 0 304.397 0.751 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)c2c(F)cccc2F)CCO1 ZINC000248420148 395986939 /nfs/dbraw/zinc/98/69/39/395986939.db2.gz LOQKZPVEWDCTKX-VXGBXAGGSA-N 0 0 300.305 0.445 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248463439 395988921 /nfs/dbraw/zinc/98/89/21/395988921.db2.gz AOTXOVIWGXXBII-OLZOCXBDSA-N 0 0 308.444 0.130 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)CC2 ZINC000248487418 395989036 /nfs/dbraw/zinc/98/90/36/395989036.db2.gz LVESWOGKVGULIU-QJPTWQEYSA-N 0 0 307.398 0.568 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000248570208 395989953 /nfs/dbraw/zinc/98/99/53/395989953.db2.gz LSQIIWQXGAALGF-CBSYICTRSA-N 0 0 318.439 0.634 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)c1ccc(F)cc1Cl ZINC000248580421 395990273 /nfs/dbraw/zinc/99/02/73/395990273.db2.gz VPLQIDKPUUSSSJ-NWDGAFQWSA-N 0 0 302.733 0.699 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnn(Cc2ccccc2)c1 ZINC000152181863 396001800 /nfs/dbraw/zinc/00/18/00/396001800.db2.gz PJLBCXDQIZVDHW-CYBMUJFWSA-N 0 0 312.329 0.466 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000248667214 395993574 /nfs/dbraw/zinc/99/35/74/395993574.db2.gz WYOHYKWYLRFNLO-RYUDHWBXSA-N 0 0 313.423 0.344 10 0 DCAERN COCCN(CCO)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000151912136 395995727 /nfs/dbraw/zinc/99/57/27/395995727.db2.gz VOIVEDPHOJSNKF-LBPRGKRZSA-N 0 0 310.325 0.719 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000248760026 395996780 /nfs/dbraw/zinc/99/67/80/395996780.db2.gz DHKBHFQHWVCLPV-JQWIXIFHSA-N 0 0 314.411 0.364 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1n1ccnc1 ZINC000153283775 396023050 /nfs/dbraw/zinc/02/30/50/396023050.db2.gz LRBQRXNNDDUQCB-KFWWJZLASA-N 0 0 321.425 0.806 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[C@H]1CCOC1 ZINC000276844102 396032040 /nfs/dbraw/zinc/03/20/40/396032040.db2.gz YZQOEJYBQFLUIR-MELADBBJSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@H]1CSCCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000276870297 396033442 /nfs/dbraw/zinc/03/34/42/396033442.db2.gz ANBVEDWPTNZFOM-SECBINFHSA-N 0 0 306.395 0.620 10 0 DCAERN CC(=O)N1CCCn2ccnc2[C@H]1C1CC[NH+](CCO)CC1 ZINC000257189686 396035253 /nfs/dbraw/zinc/03/52/53/396035253.db2.gz JTDAXUQFVHPHOS-OAHLLOKOSA-N 0 0 306.410 0.881 10 0 DCAERN CC1(C)CN(C[C@@H](O)COc2ccccc2)CCS1(=O)=O ZINC000155122914 396046993 /nfs/dbraw/zinc/04/69/93/396046993.db2.gz OPKJTXNQPMXDPX-CYBMUJFWSA-N 0 0 313.419 0.935 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000068138102 396047561 /nfs/dbraw/zinc/04/75/61/396047561.db2.gz OQMKXEPOXWDCSV-NWDGAFQWSA-N 0 0 324.425 0.731 10 0 DCAERN CC(=O)Nc1nc(CN2CCS(=O)(=O)[C@H](C)C2)cs1 ZINC000155400546 396051200 /nfs/dbraw/zinc/05/12/00/396051200.db2.gz BOCRUWMTKMSXKG-MRVPVSSYSA-N 0 0 303.409 0.720 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000155492408 396052114 /nfs/dbraw/zinc/05/21/14/396052114.db2.gz HEYRGFMCDKXXTK-ZDUSSCGKSA-N 0 0 318.377 0.336 10 0 DCAERN C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000155495409 396052537 /nfs/dbraw/zinc/05/25/37/396052537.db2.gz NZNHLEKDQMZJTL-QWRGUYRKSA-N 0 0 322.390 0.878 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000155495308 396052735 /nfs/dbraw/zinc/05/27/35/396052735.db2.gz NZNHLEKDQMZJTL-GHMZBOCLSA-N 0 0 322.390 0.878 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261670798 396054539 /nfs/dbraw/zinc/05/45/39/396054539.db2.gz BUUFQFDMCSITKJ-UHFFFAOYSA-N 0 0 322.409 0.444 10 0 DCAERN C[C@@H](C1CC1)N(C(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C1CC1 ZINC000155666310 396055865 /nfs/dbraw/zinc/05/58/65/396055865.db2.gz WYUBVYNRSCSWLO-RYUDHWBXSA-N 0 0 314.451 0.895 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cn(-c2ccccc2)nn1 ZINC000155963720 396060416 /nfs/dbraw/zinc/06/04/16/396060416.db2.gz YGPWIHIPPAANOO-RYUDHWBXSA-N 0 0 313.361 0.923 10 0 DCAERN Cn1cnnc1Cn1ncc(I)cc1=O ZINC000158540553 396064953 /nfs/dbraw/zinc/06/49/53/396064953.db2.gz JDORYZSAJOHXCE-UHFFFAOYSA-N 0 0 317.090 0.025 10 0 DCAERN CCOc1ccc(CCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000152202883 396002531 /nfs/dbraw/zinc/00/25/31/396002531.db2.gz CXEBNJMGXQOVOD-CYBMUJFWSA-N 0 0 304.346 0.939 10 0 DCAERN COC[C@H](O)CCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000152296101 396005095 /nfs/dbraw/zinc/00/50/95/396005095.db2.gz LDSHVZPSNDHZID-SECBINFHSA-N 0 0 324.303 0.636 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C[C@@H](O)c1ccc(F)cc1F ZINC000249357044 396006263 /nfs/dbraw/zinc/00/62/63/396006263.db2.gz LGNRZKGOCIPOEA-MCIONIFRSA-N 0 0 315.316 0.997 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000249502106 396008833 /nfs/dbraw/zinc/00/88/33/396008833.db2.gz BDLXIPXZWGNYEI-OASPWFOLSA-N 0 0 312.391 0.936 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000249522834 396009003 /nfs/dbraw/zinc/00/90/03/396009003.db2.gz OVZLXFODTLJTSL-MCIONIFRSA-N 0 0 310.394 0.651 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1Cl ZINC000249992255 396013865 /nfs/dbraw/zinc/01/38/65/396013865.db2.gz ZZOGXGKMVZRISH-DJLDLDEBSA-N 0 0 305.787 0.919 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2COc3ccccc32)C1 ZINC000250205878 396014299 /nfs/dbraw/zinc/01/42/99/396014299.db2.gz IHSAYRVEUIIENV-AAEUAGOBSA-N 0 0 324.402 0.908 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000066911714 396016651 /nfs/dbraw/zinc/01/66/51/396016651.db2.gz OWEPHWGFCZIKAI-UWVGGRQHSA-N 0 0 300.384 0.178 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000066902148 396016685 /nfs/dbraw/zinc/01/66/85/396016685.db2.gz IHZXNFVKBKCDLS-LLVKDONJSA-N 0 0 300.384 0.144 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1C[C@H](C)O ZINC000251612225 396016774 /nfs/dbraw/zinc/01/67/74/396016774.db2.gz GFPLQUZEUFQRAN-KBPBESRZSA-N 0 0 324.425 0.447 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1)C1CC1 ZINC000251843353 396017399 /nfs/dbraw/zinc/01/73/99/396017399.db2.gz OIBIVHCMQSXCPY-MJBXVCDLSA-N 0 0 307.394 0.864 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000277771688 396086127 /nfs/dbraw/zinc/08/61/27/396086127.db2.gz SWZMJXMPFQSBIB-MJBXVCDLSA-N 0 0 322.361 0.470 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000165783591 396088795 /nfs/dbraw/zinc/08/87/95/396088795.db2.gz IUTHARAQVNAXDI-AAEUAGOBSA-N 0 0 304.412 0.368 10 0 DCAERN CNC(=O)N1CCC([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC000169781729 396091840 /nfs/dbraw/zinc/09/18/40/396091840.db2.gz LWBRQMZAKQWIDQ-CYBMUJFWSA-N 0 0 319.409 0.934 10 0 DCAERN CNC(=O)N1CCC([C@@H]2CCN(C(=O)Cn3cccn3)C2)CC1 ZINC000169781825 396091858 /nfs/dbraw/zinc/09/18/58/396091858.db2.gz YDRCHUOVGVJBSZ-CQSZACIVSA-N 0 0 319.409 0.783 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC3(O)CCCC3)C2)cn1 ZINC000175718262 396141273 /nfs/dbraw/zinc/14/12/73/396141273.db2.gz VUFJREKOOCDRHW-CYBMUJFWSA-N 0 0 321.425 0.993 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCNC(=O)c2ccccc2)C1 ZINC000170921146 396101521 /nfs/dbraw/zinc/10/15/21/396101521.db2.gz LXIVWPAMDCTXPI-AWEZNQCLSA-N 0 0 320.393 0.046 10 0 DCAERN COC(=O)c1cn(C[C@@H](O)c2cc(OC)ccc2OC)nn1 ZINC000070459925 396102281 /nfs/dbraw/zinc/10/22/81/396102281.db2.gz PZDHIZQBNIHHRT-GFCCVEGCSA-N 0 0 307.306 0.816 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@@H]3CN(C)CCO3)sc2n1 ZINC000170999729 396103040 /nfs/dbraw/zinc/10/30/40/396103040.db2.gz YFEHUPWQZDVDOM-LLVKDONJSA-N 0 0 323.422 0.846 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000171351670 396115224 /nfs/dbraw/zinc/11/52/24/396115224.db2.gz JVIRHWHJRLLVEV-JSGCOSHPSA-N 0 0 304.346 0.910 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000171401233 396116103 /nfs/dbraw/zinc/11/61/03/396116103.db2.gz IEGUBMGJXHMCHN-RYUDHWBXSA-N 0 0 300.318 0.693 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCCN2CCOCC2)cn1 ZINC000171530961 396117887 /nfs/dbraw/zinc/11/78/87/396117887.db2.gz OBTREHAEMRCPKG-AWEZNQCLSA-N 0 0 307.398 0.599 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3CO)C2)n(C)n1 ZINC000278405821 396123383 /nfs/dbraw/zinc/12/33/83/396123383.db2.gz PCJVDJXTGJYMKO-ZIAGYGMSSA-N 0 0 321.425 0.864 10 0 DCAERN COCC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000171836519 396125999 /nfs/dbraw/zinc/12/59/99/396125999.db2.gz DYKBXFLFPPAOAW-UHFFFAOYSA-N 0 0 312.391 0.833 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173941943 396136993 /nfs/dbraw/zinc/13/69/93/396136993.db2.gz UZTAUMJQGHALPV-QWRGUYRKSA-N 0 0 309.332 0.460 10 0 DCAERN Cc1ccc([C@@H](CNS(N)(=O)=O)N2CCOCC2)s1 ZINC000175218868 396140152 /nfs/dbraw/zinc/14/01/52/396140152.db2.gz VROAOCJUCUKQQF-SNVBAGLBSA-N 0 0 305.425 0.223 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000261877366 396075148 /nfs/dbraw/zinc/07/51/48/396075148.db2.gz DXIGOZCTUFDWTQ-YGRLFVJLSA-N 0 0 309.341 0.600 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000162017994 396077908 /nfs/dbraw/zinc/07/79/08/396077908.db2.gz YGZJXWCSJKFXND-GFCCVEGCSA-N 0 0 322.340 0.092 10 0 DCAERN Cc1nnc2n1CCN(CC(=O)NCCOc1ccccc1)C2 ZINC000069491232 396080182 /nfs/dbraw/zinc/08/01/82/396080182.db2.gz MANFWJOPXUDNBE-UHFFFAOYSA-N 0 0 315.377 0.597 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000162976169 396084742 /nfs/dbraw/zinc/08/47/42/396084742.db2.gz NSHIYLXEUDBXEB-CHWSQXEVSA-N 0 0 324.425 0.698 10 0 DCAERN CN(CC(=O)NCc1ccccc1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000263219934 396206755 /nfs/dbraw/zinc/20/67/55/396206755.db2.gz LRYJATNGCVFPDH-LBPRGKRZSA-N 0 0 311.332 0.758 10 0 DCAERN CC(C)(C)C[C@H](CO)NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178877618 396212922 /nfs/dbraw/zinc/21/29/22/396212922.db2.gz FMUCUPUSGBWBLZ-LLVKDONJSA-N 0 0 314.407 0.861 10 0 DCAERN CN[C@@H](C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1cnn(C)c1 ZINC000262508267 396148666 /nfs/dbraw/zinc/14/86/66/396148666.db2.gz JHGRRMJTHCGXKK-ZUZCIYMTSA-N 0 0 318.425 0.778 10 0 DCAERN COc1ccccc1CCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000176442683 396155508 /nfs/dbraw/zinc/15/55/08/396155508.db2.gz ZYWYKMHTIRYGIJ-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000177001010 396164178 /nfs/dbraw/zinc/16/41/78/396164178.db2.gz VKDPMHYQVRGALV-SKDRFNHKSA-N 0 0 314.349 0.823 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074366858 396165382 /nfs/dbraw/zinc/16/53/82/396165382.db2.gz DSRFFZYRUCKPBP-CHWSQXEVSA-N 0 0 324.425 0.650 10 0 DCAERN CNC(=O)c1ccc(N2CCN(CCOC(C)C)CC2)nn1 ZINC000074773393 396171992 /nfs/dbraw/zinc/17/19/92/396171992.db2.gz JEVXLTXLUHDXNE-UHFFFAOYSA-N 0 0 307.398 0.383 10 0 DCAERN CNC(=O)c1ccc(N[C@H]2CCCN(c3cnn(C)c3)C2)nn1 ZINC000074766390 396172288 /nfs/dbraw/zinc/17/22/88/396172288.db2.gz KXJLBYIGVOUHBP-NSHDSACASA-N 0 0 315.381 0.651 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)NCCCc1ccccn1 ZINC000178828882 396210992 /nfs/dbraw/zinc/21/09/92/396210992.db2.gz HHJVFDROSMZZOC-UHFFFAOYSA-N 0 0 323.374 0.993 10 0 DCAERN CC(C)c1noc(CCc2nc([C@@H]3C[NH2+]CCN3C)no2)n1 ZINC000263275997 396210972 /nfs/dbraw/zinc/21/09/72/396210972.db2.gz SWJBGBFRELRWKA-JTQLQIEISA-N 0 0 306.370 0.937 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)C1(C)COC1 ZINC000279536523 396182036 /nfs/dbraw/zinc/18/20/36/396182036.db2.gz JCBYQBMAMOHMAF-JSGCOSHPSA-N 0 0 324.400 0.827 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@H](C)CO ZINC000177800992 396183651 /nfs/dbraw/zinc/18/36/51/396183651.db2.gz NNARCWMGTMNMEN-VXGBXAGGSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C[C@@H](C)O1 ZINC000262919794 396192305 /nfs/dbraw/zinc/19/23/05/396192305.db2.gz GSNUDURNEXVXKA-IJLUTSLNSA-N 0 0 319.396 0.988 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000262987441 396196073 /nfs/dbraw/zinc/19/60/73/396196073.db2.gz NHWVFKVSPBPGMM-GFCCVEGCSA-N 0 0 311.332 0.758 10 0 DCAERN Cn1c2ccc(NC(=O)[C@@H]3CC(F)(F)CN3)cc2n(C)c1=O ZINC000263024444 396198483 /nfs/dbraw/zinc/19/84/83/396198483.db2.gz RGRKEQOHYJVBRS-VIFPVBQESA-N 0 0 310.304 0.813 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263082848 396200819 /nfs/dbraw/zinc/20/08/19/396200819.db2.gz XQXGYSCZGNSUHV-QWRGUYRKSA-N 0 0 300.305 0.842 10 0 DCAERN O=C(c1ccccn1)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263097279 396201419 /nfs/dbraw/zinc/20/14/19/396201419.db2.gz ZBPHRYQBFYEFGI-GFCCVEGCSA-N 0 0 324.331 0.363 10 0 DCAERN COc1ccc(C)cc1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000077834454 396235375 /nfs/dbraw/zinc/23/53/75/396235375.db2.gz GRNFPWMOVHAYOW-UHFFFAOYSA-N 0 0 318.333 0.992 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)c1c[nH]c2cc(F)ccc12 ZINC000181219719 396238164 /nfs/dbraw/zinc/23/81/64/396238164.db2.gz NUPHYMRCQJGSLB-UHFFFAOYSA-N 0 0 304.281 0.589 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181740887 396241545 /nfs/dbraw/zinc/24/15/45/396241545.db2.gz NBYXFFOJEJSDOK-NEPJUHHUSA-N 0 0 323.359 0.538 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc2ncccc2c1 ZINC000181783878 396242252 /nfs/dbraw/zinc/24/22/52/396242252.db2.gz RFEMVGWZIMDFAN-UHFFFAOYSA-N 0 0 324.344 0.971 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC1 ZINC000181836486 396243398 /nfs/dbraw/zinc/24/33/98/396243398.db2.gz ICZGQCYLBBFLJL-KGLIPLIRSA-N 0 0 315.458 0.882 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@H]1C ZINC000182785390 396254476 /nfs/dbraw/zinc/25/44/76/396254476.db2.gz QITQNSYTGWFPHH-GHMZBOCLSA-N 0 0 303.366 0.485 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000182863570 396255797 /nfs/dbraw/zinc/25/57/97/396255797.db2.gz KGFAVBBYORJKRA-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC(=O)N1CCCC1 ZINC000078909255 396257758 /nfs/dbraw/zinc/25/77/58/396257758.db2.gz XSEVCZLNHDTQCF-UHFFFAOYSA-N 0 0 302.334 0.068 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182977068 396258245 /nfs/dbraw/zinc/25/82/45/396258245.db2.gz MDJLWDGSFKKNPU-LBPRGKRZSA-N 0 0 317.349 0.426 10 0 DCAERN C[C@H](C(=O)NC1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000079021435 396259970 /nfs/dbraw/zinc/25/99/70/396259970.db2.gz JIUWIVNDQBPDJY-SNVBAGLBSA-N 0 0 302.330 0.966 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000079077183 396261070 /nfs/dbraw/zinc/26/10/70/396261070.db2.gz VDXALXBMTAIGJZ-NSHDSACASA-N 0 0 322.409 0.402 10 0 DCAERN Cc1nccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000079622192 396268451 /nfs/dbraw/zinc/26/84/51/396268451.db2.gz XWDWHESFFSKCBC-UHFFFAOYSA-N 0 0 306.347 0.362 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000183564964 396270668 /nfs/dbraw/zinc/27/06/68/396270668.db2.gz KWPPZRAPGRBLMQ-JTQLQIEISA-N 0 0 307.276 0.377 10 0 DCAERN O=C(CNC(=O)NCCCn1ccnn1)NC1CCCCC1 ZINC000183561052 396271047 /nfs/dbraw/zinc/27/10/47/396271047.db2.gz RXNLMMGXARTYCX-UHFFFAOYSA-N 0 0 308.386 0.416 10 0 DCAERN CCOCCO[C@H]1CCN(C(=O)NCCCn2ccnn2)C1 ZINC000183537966 396271120 /nfs/dbraw/zinc/27/11/20/396271120.db2.gz PFLKQIHRHQMOFW-ZDUSSCGKSA-N 0 0 311.386 0.505 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000183748172 396274014 /nfs/dbraw/zinc/27/40/14/396274014.db2.gz UXCZTUROKQGXAT-LLVKDONJSA-N 0 0 318.399 0.728 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000183775851 396274773 /nfs/dbraw/zinc/27/47/73/396274773.db2.gz YONPQYMCQDNQJW-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)NCC1CC1 ZINC000183796509 396275583 /nfs/dbraw/zinc/27/55/83/396275583.db2.gz PSIZOSUBRMDSNO-HIFRSBDPSA-N 0 0 303.362 0.470 10 0 DCAERN NC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(F)c2)cn1 ZINC000183965634 396279202 /nfs/dbraw/zinc/27/92/02/396279202.db2.gz UPBJSLYZKKDGEO-UHFFFAOYSA-N 0 0 316.292 0.688 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263318476 396213583 /nfs/dbraw/zinc/21/35/83/396213583.db2.gz ZVHLEYWLZZUUOA-RYUDHWBXSA-N 0 0 300.305 0.842 10 0 DCAERN CN([C@@H]1CCSC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179052568 396219468 /nfs/dbraw/zinc/21/94/68/396219468.db2.gz GCVMUXGWOBUOCL-SNVBAGLBSA-N 0 0 300.405 0.912 10 0 DCAERN O=C(c1ccccc1N[C@H]1CCNC1=O)N1CCC[C@@H](O)C1 ZINC000179042265 396219473 /nfs/dbraw/zinc/21/94/73/396219473.db2.gz KHBFSDQONQRENG-RISCZKNCSA-N 0 0 303.362 0.584 10 0 DCAERN Cc1c(N[C@H]2CCNC2=O)cccc1S(=O)(=O)NC1CC1 ZINC000179047234 396219631 /nfs/dbraw/zinc/21/96/31/396219631.db2.gz XIACQWGNTSTASH-LBPRGKRZSA-N 0 0 309.391 0.736 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000179131200 396221833 /nfs/dbraw/zinc/22/18/33/396221833.db2.gz XUBQCHVRQGNXJC-ZDUSSCGKSA-N 0 0 312.329 0.651 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)[C@H](C)C1CCOCC1 ZINC000179385416 396226776 /nfs/dbraw/zinc/22/67/76/396226776.db2.gz ZFBSYBCQOHLLMT-LLVKDONJSA-N 0 0 306.428 0.493 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCNC(=O)[C@H]1C ZINC000179766522 396228992 /nfs/dbraw/zinc/22/89/92/396228992.db2.gz WBUXGVYOLLBSBE-GFCCVEGCSA-N 0 0 307.398 0.499 10 0 DCAERN Cn1nnc2ccc(C(=O)Nc3nc(C(N)=O)cs3)cc21 ZINC000184026569 396280770 /nfs/dbraw/zinc/28/07/70/396280770.db2.gz BBDYXCYKHVHOFY-UHFFFAOYSA-N 0 0 302.319 0.776 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000077788233 396232630 /nfs/dbraw/zinc/23/26/30/396232630.db2.gz JRAJFESULGVBLD-WDEREUQCSA-N 0 0 311.357 0.872 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)C1CC(=O)C1 ZINC000185000219 396313135 /nfs/dbraw/zinc/31/31/35/396313135.db2.gz MLCSNEIIGJNAOA-UHFFFAOYSA-N 0 0 307.325 0.653 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)[nH]1 ZINC000185031470 396315193 /nfs/dbraw/zinc/31/51/93/396315193.db2.gz ADKRUGMKMIJWAV-ONGXEEELSA-N 0 0 315.399 0.216 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(O)c(Br)c1 ZINC000185090204 396316645 /nfs/dbraw/zinc/31/66/45/396316645.db2.gz BNJGMJPTYZWOOJ-UHFFFAOYSA-N 0 0 301.140 0.907 10 0 DCAERN CCN(CC)C(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184076539 396284466 /nfs/dbraw/zinc/28/44/66/396284466.db2.gz FQOJDOKQTYKQJX-ZDUSSCGKSA-N 0 0 321.425 0.864 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N1CCN(c2cccs2)C(=O)C1 ZINC000184090164 396285521 /nfs/dbraw/zinc/28/55/21/396285521.db2.gz QGILGFJHIYCGBY-SNVBAGLBSA-N 0 0 308.359 0.877 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000282414438 396288697 /nfs/dbraw/zinc/28/86/97/396288697.db2.gz FGMFPLYYCSUIBO-GMSGAONNSA-N 0 0 304.318 0.910 10 0 DCAERN COCCCS(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184334093 396291062 /nfs/dbraw/zinc/29/10/62/396291062.db2.gz JITNJSCAGHBCAC-UHFFFAOYSA-N 0 0 318.420 0.763 10 0 DCAERN CC1(Cn2cc(C(=O)N3CCN4CCCC[C@H]4C3)nn2)COC1 ZINC000184389087 396293029 /nfs/dbraw/zinc/29/30/29/396293029.db2.gz AADADQILXVQOCT-ZDUSSCGKSA-N 0 0 319.409 0.625 10 0 DCAERN O=C(NC[C@H]1CCC[C@H]1O)Nc1cnn(-c2ncccn2)c1 ZINC000081082387 396293859 /nfs/dbraw/zinc/29/38/59/396293859.db2.gz QIWCRGLKRMMXNF-ZYHUDNBSSA-N 0 0 302.338 0.945 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1nc2ccccn2n1 ZINC000184432421 396294929 /nfs/dbraw/zinc/29/49/29/396294929.db2.gz ZOBQWYMXCZQLNG-UWVGGRQHSA-N 0 0 302.338 0.847 10 0 DCAERN COc1cccc2c1nc(NC(=O)[C@@H](C)S(C)(=O)=O)n2C ZINC000184452441 396295841 /nfs/dbraw/zinc/29/58/41/396295841.db2.gz YXNOXMREKQSDQM-MRVPVSSYSA-N 0 0 311.363 0.954 10 0 DCAERN COc1cc(N2CCN(C(=O)Nc3ccon3)CC2)ncn1 ZINC000184447362 396295943 /nfs/dbraw/zinc/29/59/43/396295943.db2.gz SUBHOJDKULLPMR-UHFFFAOYSA-N 0 0 304.310 0.827 10 0 DCAERN COC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CN(C)CCO1 ZINC000081293024 396296012 /nfs/dbraw/zinc/29/60/12/396296012.db2.gz VGHRZCAMJGKRLJ-OAHLLOKOSA-N 0 0 320.389 0.909 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](CO)CC(C)C)o1 ZINC000184577724 396299439 /nfs/dbraw/zinc/29/94/39/396299439.db2.gz AVPNBRQBBFJOGI-SNVBAGLBSA-N 0 0 318.395 0.667 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)N(C)CC ZINC000184804253 396306737 /nfs/dbraw/zinc/30/67/37/396306737.db2.gz WKHKEZOUOBNPOR-SNVBAGLBSA-N 0 0 308.386 0.453 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000265312093 396307009 /nfs/dbraw/zinc/30/70/09/396307009.db2.gz FNAZZAUNWWNVFZ-CHWSQXEVSA-N 0 0 324.402 0.388 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc21 ZINC000184868464 396309345 /nfs/dbraw/zinc/30/93/45/396309345.db2.gz AILIAFBAKXWLFJ-GJZGRUSLSA-N 0 0 316.361 0.988 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000184876767 396309690 /nfs/dbraw/zinc/30/96/90/396309690.db2.gz LJDYMRWADBKONH-MELADBBJSA-N 0 0 319.409 0.858 10 0 DCAERN CCOCCCCNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000184887025 396310133 /nfs/dbraw/zinc/31/01/33/396310133.db2.gz UWZBXKBFCDHGQX-CQSZACIVSA-N 0 0 301.431 0.901 10 0 DCAERN O=S(=O)(c1cnn(-c2ccccc2F)c1)N1CC(CO)C1 ZINC000184902544 396310403 /nfs/dbraw/zinc/31/04/03/396310403.db2.gz LDHODXLGOULLOU-UHFFFAOYSA-N 0 0 311.338 0.624 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1nc2ccccc2o1 ZINC000184908865 396310669 /nfs/dbraw/zinc/31/06/69/396310669.db2.gz QFMDRORKRAIEGS-NSHDSACASA-N 0 0 324.358 0.600 10 0 DCAERN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185241181 396322216 /nfs/dbraw/zinc/32/22/16/396322216.db2.gz YPAPXKHECILUPS-AAEUAGOBSA-N 0 0 308.382 0.548 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N(C)[C@H](CO)CC(C)C)CC2 ZINC000185346271 396325248 /nfs/dbraw/zinc/32/52/48/396325248.db2.gz AYTWJYHPAIWYJJ-OLZOCXBDSA-N 0 0 309.414 0.950 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)NC1(CO)CCC1 ZINC000185520140 396329183 /nfs/dbraw/zinc/32/91/83/396329183.db2.gz IFIXWDATOGENBY-LBPRGKRZSA-N 0 0 305.382 0.660 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1C[C@@H](O)C[C@H]1CO ZINC000185577638 396330528 /nfs/dbraw/zinc/33/05/28/396330528.db2.gz JBQWBDWKZKSSGL-XDQVBPFNSA-N 0 0 308.382 0.504 10 0 DCAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1C[C@@H](O)C[C@H]1CO ZINC000185577657 396330630 /nfs/dbraw/zinc/33/06/30/396330630.db2.gz JBQWBDWKZKSSGL-XUXIUFHCSA-N 0 0 308.382 0.504 10 0 DCAERN O=C(Cc1cnc2ccccc2c1)NCCN1C(=O)CNC1=O ZINC000185650163 396331793 /nfs/dbraw/zinc/33/17/93/396331793.db2.gz YLLZZEDVPHEVCB-UHFFFAOYSA-N 0 0 312.329 0.445 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1c[nH]c(=S)[nH]1 ZINC000185677817 396332817 /nfs/dbraw/zinc/33/28/17/396332817.db2.gz BFPFFZNDVLVSKJ-VIFPVBQESA-N 0 0 304.379 0.887 10 0 DCAERN COCCC(C)(C)CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185706932 396333471 /nfs/dbraw/zinc/33/34/71/396333471.db2.gz NNEKWRALRXLXJY-UHFFFAOYSA-N 0 0 321.381 0.309 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186043772 396340125 /nfs/dbraw/zinc/34/01/25/396340125.db2.gz LROSWQXNBRBBLV-OAHLLOKOSA-N 0 0 307.350 0.238 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000186204059 396344622 /nfs/dbraw/zinc/34/46/22/396344622.db2.gz DPFWXMHEDFIBLL-QWHCGFSZSA-N 0 0 316.357 0.766 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)C(C)C ZINC000186199314 396344675 /nfs/dbraw/zinc/34/46/75/396344675.db2.gz OVQHAZRCPSDZFE-GFCCVEGCSA-N 0 0 301.350 0.972 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000186237598 396345361 /nfs/dbraw/zinc/34/53/61/396345361.db2.gz ZDSNMRQDZSNJEC-ZDUSSCGKSA-N 0 0 307.398 0.844 10 0 DCAERN Cn1nccc1CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186251859 396345934 /nfs/dbraw/zinc/34/59/34/396345934.db2.gz XSTQTFRVTSIDDO-UHFFFAOYSA-N 0 0 323.300 0.657 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccon3)C2)c1 ZINC000186128140 396341812 /nfs/dbraw/zinc/34/18/12/396341812.db2.gz GHEWBNCRMQUJQT-NSHDSACASA-N 0 0 303.322 0.982 10 0 DCAERN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCCO1 ZINC000186343546 396347938 /nfs/dbraw/zinc/34/79/38/396347938.db2.gz FTYKIHMUWCLRAS-UHFFFAOYSA-N 0 0 315.329 0.222 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OC ZINC000267892792 396358481 /nfs/dbraw/zinc/35/84/81/396358481.db2.gz JFDMURSCEIADPT-SNVBAGLBSA-N 0 0 300.336 0.015 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1)C1CC1 ZINC000187817724 396374738 /nfs/dbraw/zinc/37/47/38/396374738.db2.gz IZJYTCNBRVWNRJ-TZMCWYRMSA-N 0 0 307.394 0.864 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)[C@H]2CCO[C@@H]21 ZINC000187246527 396365625 /nfs/dbraw/zinc/36/56/25/396365625.db2.gz GDIGJAHMDSZAMM-UPJWGTAASA-N 0 0 307.394 0.720 10 0 DCAERN CO[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC000187715604 396372941 /nfs/dbraw/zinc/37/29/41/396372941.db2.gz LZRXLGHUWUBDNN-RYUDHWBXSA-N 0 0 304.350 0.379 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186429698 396349832 /nfs/dbraw/zinc/34/98/32/396349832.db2.gz IIANFDSVVFCBOM-CQSZACIVSA-N 0 0 304.394 0.451 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C12CCOCC2 ZINC000186460257 396349880 /nfs/dbraw/zinc/34/98/80/396349880.db2.gz AJQGDSVOQLDEFH-STQMWFEESA-N 0 0 321.377 0.818 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000285424741 396350198 /nfs/dbraw/zinc/35/01/98/396350198.db2.gz ICVPHOKQIOQKCB-DOMZBBRYSA-N 0 0 324.764 0.482 10 0 DCAERN COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188463012 396382538 /nfs/dbraw/zinc/38/25/38/396382538.db2.gz RFGIIUXOXFFZAC-HUUCEWRRSA-N 0 0 320.389 0.644 10 0 DCAERN CCN1CCCN(C(=O)NCCc2c(C)nn(C)c2C)CC1=O ZINC000188731429 396384918 /nfs/dbraw/zinc/38/49/18/396384918.db2.gz NUOCRIWFGNMHNZ-UHFFFAOYSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCOCC1 ZINC000188794538 396386597 /nfs/dbraw/zinc/38/65/97/396386597.db2.gz OXKHGRXWSCDNGP-LBPRGKRZSA-N 0 0 324.425 0.017 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000188982247 396389254 /nfs/dbraw/zinc/38/92/54/396389254.db2.gz JAYLPUFCSBXRMA-XUWVNRHRSA-N 0 0 302.374 0.888 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1c(F)cccc1F ZINC000189041187 396389971 /nfs/dbraw/zinc/38/99/71/396389971.db2.gz XTZGJQMDEAYNRI-LBPRGKRZSA-N 0 0 319.329 0.737 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189800165 396399381 /nfs/dbraw/zinc/39/93/81/396399381.db2.gz BNFDXQOZCAJEQO-JTQLQIEISA-N 0 0 309.391 0.557 10 0 DCAERN COCCn1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000189811078 396399989 /nfs/dbraw/zinc/39/99/89/396399989.db2.gz RKQYTOLXSYSCOW-ZDUSSCGKSA-N 0 0 308.382 0.123 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CCCN(C)C(=O)C1 ZINC000189963819 396400897 /nfs/dbraw/zinc/40/08/97/396400897.db2.gz OPUYIRQLONGFDE-LBPRGKRZSA-N 0 0 307.398 0.701 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC2=O)cc1 ZINC000190006707 396401782 /nfs/dbraw/zinc/40/17/82/396401782.db2.gz JAVZKOIAALDXDL-LLVKDONJSA-N 0 0 310.375 0.694 10 0 DCAERN COCCN1CCCN(CCO[C@@H]2CCCCO2)CC1=O ZINC000193129178 396444253 /nfs/dbraw/zinc/44/42/53/396444253.db2.gz JLFHOLJGIUCMRZ-OAHLLOKOSA-N 0 0 300.399 0.710 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 ZINC000190233031 396403535 /nfs/dbraw/zinc/40/35/35/396403535.db2.gz GUSHWQZBSXYVGR-UONOGXRCSA-N 0 0 305.382 0.897 10 0 DCAERN CCN1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1=O ZINC000190566685 396408083 /nfs/dbraw/zinc/40/80/83/396408083.db2.gz APLSASUJVAHMDF-UHFFFAOYSA-N 0 0 320.740 0.578 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1=O ZINC000190604045 396408989 /nfs/dbraw/zinc/40/89/89/396408989.db2.gz LDGOOAMYSLYILP-UHFFFAOYSA-N 0 0 311.288 0.343 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cc1C ZINC000190682733 396410122 /nfs/dbraw/zinc/41/01/22/396410122.db2.gz MIKORCPXINVLTC-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN CCCCOC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190806066 396412047 /nfs/dbraw/zinc/41/20/47/396412047.db2.gz RQWZBQRCPPJFSM-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN CC(C)N(C)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000190861718 396412667 /nfs/dbraw/zinc/41/26/67/396412667.db2.gz DQALEAWTBYGKTJ-GFCCVEGCSA-N 0 0 303.428 0.947 10 0 DCAERN C=CC(=O)NCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000269446902 396415016 /nfs/dbraw/zinc/41/50/16/396415016.db2.gz OTDMEJPMJMKNPF-NSHDSACASA-N 0 0 324.402 0.960 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191098086 396415207 /nfs/dbraw/zinc/41/52/07/396415207.db2.gz ZBJTULQDOMXAMQ-UHFFFAOYSA-N 0 0 303.362 0.992 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCCN(C)C(=O)C1 ZINC000191149798 396416089 /nfs/dbraw/zinc/41/60/89/396416089.db2.gz GBSCKLDXPYXZDH-LBPRGKRZSA-N 0 0 324.425 0.698 10 0 DCAERN CCn1nccc1N1CCC[C@@H](NC(=O)c2noc(C)n2)C1=O ZINC000191230591 396417504 /nfs/dbraw/zinc/41/75/04/396417504.db2.gz CZPGUIRTUFOPHD-SNVBAGLBSA-N 0 0 318.337 0.520 10 0 DCAERN COCCN1CCCN(C(=O)COc2ccccc2F)CC1=O ZINC000191274978 396417609 /nfs/dbraw/zinc/41/76/09/396417609.db2.gz VRMGISUMKCPVOB-UHFFFAOYSA-N 0 0 324.352 0.912 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NCCCn2ccnn2)C[C@@H]1C ZINC000191415666 396418621 /nfs/dbraw/zinc/41/86/21/396418621.db2.gz HWBPXOQXEOIYCO-NWDGAFQWSA-N 0 0 309.370 0.509 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191425516 396418737 /nfs/dbraw/zinc/41/87/37/396418737.db2.gz RGKBKTWJEPOJLA-LBPRGKRZSA-N 0 0 307.398 0.959 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCNC(=O)C1CCC1 ZINC000191440240 396419678 /nfs/dbraw/zinc/41/96/78/396419678.db2.gz IBZWVPXKGWTKHG-LLVKDONJSA-N 0 0 310.398 0.213 10 0 DCAERN CCN1CN([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1=O ZINC000191563576 396421057 /nfs/dbraw/zinc/42/10/57/396421057.db2.gz ITVSVLIDAZHQON-SNVBAGLBSA-N 0 0 322.340 0.984 10 0 DCAERN Cc1nnc([C@@H]2CN(c3ncnc4onc(C)c43)CCO2)[nH]1 ZINC000192480455 396431508 /nfs/dbraw/zinc/43/15/08/396431508.db2.gz XVGHZLUPCKTOQZ-VIFPVBQESA-N 0 0 301.310 0.931 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638118 396433855 /nfs/dbraw/zinc/43/38/55/396433855.db2.gz WBKKJKRVCIEWPL-GFCCVEGCSA-N 0 0 321.402 0.547 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(C)s1 ZINC000269710849 396438681 /nfs/dbraw/zinc/43/86/81/396438681.db2.gz NJOAURRMKZICKL-JTQLQIEISA-N 0 0 317.436 0.914 10 0 DCAERN COc1ccc(CCCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000192832389 396438968 /nfs/dbraw/zinc/43/89/68/396438968.db2.gz PHOZQXYQNSCUMC-GDBMZVCRSA-N 0 0 320.389 0.726 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187969300 396376754 /nfs/dbraw/zinc/37/67/54/396376754.db2.gz IYORYNRULMZMRZ-UHFFFAOYSA-N 0 0 317.393 0.462 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC000187969014 396376880 /nfs/dbraw/zinc/37/68/80/396376880.db2.gz YYVDTHNQDDWYOD-ZDUSSCGKSA-N 0 0 314.345 0.712 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187987009 396377115 /nfs/dbraw/zinc/37/71/15/396377115.db2.gz CDJQPKNEKJHZCK-UTUOFQBUSA-N 0 0 304.412 0.630 10 0 DCAERN O=C(NCCOC(F)(F)F)C(=O)Nc1ccc2nccn2c1 ZINC000580808631 396500470 /nfs/dbraw/zinc/50/04/70/396500470.db2.gz XKCUWJHCWWAPQB-UHFFFAOYSA-N 0 0 316.239 0.925 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)c(C2CC2)n1 ZINC000291716263 396509425 /nfs/dbraw/zinc/50/94/25/396509425.db2.gz JUZPIPXKMLHUKP-OAHLLOKOSA-N 0 0 306.366 0.609 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)n1 ZINC000193401287 396450319 /nfs/dbraw/zinc/45/03/19/396450319.db2.gz RAXPMBBSVRRQHT-SECBINFHSA-N 0 0 312.395 0.831 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000193523850 396453216 /nfs/dbraw/zinc/45/32/16/396453216.db2.gz SISBGMHWLIJJAL-QMMMGPOBSA-N 0 0 312.395 0.798 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000371709515 396475095 /nfs/dbraw/zinc/47/50/95/396475095.db2.gz VTAVPUNJCQLAJN-MGUXCZDKSA-N 0 0 324.402 0.833 10 0 DCAERN CCCc1cc(N2CCN3CCOC[C@@H]3C2)n2ncnc2n1 ZINC000371800545 396476759 /nfs/dbraw/zinc/47/67/59/396476759.db2.gz BXACBSKWKYYFND-ZDUSSCGKSA-N 0 0 302.382 0.598 10 0 DCAERN O=C(CCCc1nc(C2CC2)no1)N1CCN2CCOC[C@@H]2C1 ZINC000371794117 396476892 /nfs/dbraw/zinc/47/68/92/396476892.db2.gz DRLWIKLHJNSSJZ-ZDUSSCGKSA-N 0 0 320.393 0.813 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371829090 396478156 /nfs/dbraw/zinc/47/81/56/396478156.db2.gz QBDUONAIRWKXOC-CQSZACIVSA-N 0 0 321.352 0.616 10 0 DCAERN O=C(Cc1ccccc1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000371839332 396478458 /nfs/dbraw/zinc/47/84/58/396478458.db2.gz SJBBFXHCLJOFSM-BLLLJJGKSA-N 0 0 301.346 0.724 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371869583 396479020 /nfs/dbraw/zinc/47/90/20/396479020.db2.gz IRKUJFCPVYKHAI-HNNXBMFYSA-N 0 0 317.389 0.545 10 0 DCAERN Cc1nn2c(CN3CCN4CCOC[C@H]4C3)c(C)nc2s1 ZINC000371889275 396479604 /nfs/dbraw/zinc/47/96/04/396479604.db2.gz WWFMUUDZSXWHIR-GFCCVEGCSA-N 0 0 307.423 0.924 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000371981739 396481775 /nfs/dbraw/zinc/48/17/75/396481775.db2.gz VHRXFXQUFWUPLA-CQSZACIVSA-N 0 0 319.409 0.374 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000372587200 396529977 /nfs/dbraw/zinc/52/99/77/396529977.db2.gz VNDOSZIBYJPXMJ-UMSGYPCISA-N 0 0 323.393 0.590 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000372697345 396538239 /nfs/dbraw/zinc/53/82/39/396538239.db2.gz TTZDUXMXAAMNGT-UHFFFAOYSA-N 0 0 321.421 0.764 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)COC2CCCC2)C1=O ZINC000581285656 396540635 /nfs/dbraw/zinc/54/06/35/396540635.db2.gz ATQIUYIDKSHRSE-ZDUSSCGKSA-N 0 0 320.393 0.991 10 0 DCAERN CS(=O)(=O)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292330707 396545633 /nfs/dbraw/zinc/54/56/33/396545633.db2.gz CPXMMIQNSJPDCG-UHFFFAOYSA-N 0 0 322.394 0.243 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)NCc3nnn(C)n3)cnc21 ZINC000581422464 396552556 /nfs/dbraw/zinc/55/25/56/396552556.db2.gz ZLBVQCJMWSHINW-UHFFFAOYSA-N 0 0 314.353 0.541 10 0 DCAERN Cn1ncc(NCCCN2CCCS2(=O)=O)c(Cl)c1=O ZINC000585744921 396652143 /nfs/dbraw/zinc/65/21/43/396652143.db2.gz SOYKIAMAMCPFKD-UHFFFAOYSA-N 0 0 320.802 0.271 10 0 DCAERN COCCOCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373417152 396589740 /nfs/dbraw/zinc/58/97/40/396589740.db2.gz KSWCBYUSCRTVBL-OAHLLOKOSA-N 0 0 316.398 0.629 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCCCC2)C[C@]2(CCOC2)O1 ZINC000373681415 396607443 /nfs/dbraw/zinc/60/74/43/396607443.db2.gz LYLGISZKMVRCMD-AWEZNQCLSA-N 0 0 318.439 0.987 10 0 DCAERN CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000584798437 396625292 /nfs/dbraw/zinc/62/52/92/396625292.db2.gz UTPSZRLUQNSMGS-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016954 396628367 /nfs/dbraw/zinc/62/83/67/396628367.db2.gz ZIDCVVGIPNESDZ-DGCLKSJQSA-N 0 0 316.361 0.892 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374968783 396702316 /nfs/dbraw/zinc/70/23/16/396702316.db2.gz JKCRPEXWRZKCGF-CQSZACIVSA-N 0 0 314.389 0.888 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000375076650 396709905 /nfs/dbraw/zinc/70/99/05/396709905.db2.gz FJYSFWCAQIMCFD-QLFBSQMISA-N 0 0 323.437 0.424 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000301405145 396716227 /nfs/dbraw/zinc/71/62/27/396716227.db2.gz LEASFBBCSDIWBZ-ZDUSSCGKSA-N 0 0 315.377 0.852 10 0 DCAERN CC(C)Oc1nccnc1N1CCN(S(C)(=O)=O)CC1 ZINC000302226348 396718411 /nfs/dbraw/zinc/71/84/11/396718411.db2.gz PMJUOZBUPKTJMS-UHFFFAOYSA-N 0 0 300.384 0.345 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375237223 396720177 /nfs/dbraw/zinc/72/01/77/396720177.db2.gz MUUVDPRXQFGHHR-GFCCVEGCSA-N 0 0 321.352 0.616 10 0 DCAERN CNc1nc(N2C[C@@H](O)C[C@H]2CO)ncc1Br ZINC000302532263 396720372 /nfs/dbraw/zinc/72/03/72/396720372.db2.gz LNKOEAKIBOHNJO-BQBZGAKWSA-N 0 0 303.160 0.213 10 0 DCAERN CCOC(=O)c1cnc(N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000596131684 396722267 /nfs/dbraw/zinc/72/22/67/396722267.db2.gz BGPOAERLCYZJLG-QMMMGPOBSA-N 0 0 319.408 0.448 10 0 DCAERN CN(CC(N)=O)c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000302759955 396723289 /nfs/dbraw/zinc/72/32/89/396723289.db2.gz WZMXRJAQDARPQT-UHFFFAOYSA-N 0 0 312.757 0.129 10 0 DCAERN c1ccc(N2CCO[C@H](CN3C[C@@H]4COC[C@H](C3)O4)C2)cc1 ZINC000563357191 396723583 /nfs/dbraw/zinc/72/35/83/396723583.db2.gz ZUYHWHMNPLZEIV-ZACQAIPSSA-N 0 0 304.390 0.991 10 0 DCAERN CC(=O)c1ncc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000633893870 396735249 /nfs/dbraw/zinc/73/52/49/396735249.db2.gz WUWATYAVVXSWQG-ZETCQYMHSA-N 0 0 302.377 0.605 10 0 DCAERN COCCOc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000375413849 396740631 /nfs/dbraw/zinc/74/06/31/396740631.db2.gz HGUVEILECNWXJW-UHFFFAOYSA-N 0 0 316.361 0.929 10 0 DCAERN O=C1NCC[C@H]1Nc1ccc(I)cn1 ZINC000596311643 396761951 /nfs/dbraw/zinc/76/19/51/396761951.db2.gz QJYSFEQGALLYMP-SSDOTTSWSA-N 0 0 303.103 0.987 10 0 DCAERN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037239 396763635 /nfs/dbraw/zinc/76/36/35/396763635.db2.gz PJWVQALNBHDTIC-LSDHHAIUSA-N 0 0 317.389 0.140 10 0 DCAERN O=C(NCC[C@H](O)C(F)F)c1sccc1-n1cnnn1 ZINC000633992376 396765721 /nfs/dbraw/zinc/76/57/21/396765721.db2.gz DQGLIEZTFVBEMA-ZETCQYMHSA-N 0 0 303.294 0.470 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610841960 396770126 /nfs/dbraw/zinc/77/01/26/396770126.db2.gz SRAFLFVJCDACPV-CYBMUJFWSA-N 0 0 321.377 0.972 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc(=O)[nH]1 ZINC000328630048 396826352 /nfs/dbraw/zinc/82/63/52/396826352.db2.gz PLAKDOPUWIQTTJ-GFCCVEGCSA-N 0 0 301.350 0.948 10 0 DCAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641646 396828217 /nfs/dbraw/zinc/82/82/17/396828217.db2.gz QRJBFCYBMILOPS-QWHCGFSZSA-N 0 0 313.398 0.640 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617816253 396835914 /nfs/dbraw/zinc/83/59/14/396835914.db2.gz PPBGPKZNACGRHD-GFCCVEGCSA-N 0 0 323.303 0.433 10 0 DCAERN O=C(N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)[C@]1(O)CCSC1 ZINC000328942757 396836113 /nfs/dbraw/zinc/83/61/13/396836113.db2.gz AFSCDCHATOMIFW-KFNAQCHYSA-N 0 0 324.446 0.856 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329408284 396844625 /nfs/dbraw/zinc/84/46/25/396844625.db2.gz DDXQVZAPUYZASA-AAVRWANBSA-N 0 0 318.439 0.289 10 0 DCAERN C[C@H]1OCC[C@@]12CN(S(=O)(=O)N1CCC[C@@H]1C)C[C@@H](C)O2 ZINC000375926872 396845874 /nfs/dbraw/zinc/84/58/74/396845874.db2.gz JLBZKVFOVGJCOP-REWJHTLYSA-N 0 0 318.439 0.984 10 0 DCAERN c1nc(N2CCSCC2)cc(N2CCN3CCOC[C@H]3C2)n1 ZINC000375943530 396848995 /nfs/dbraw/zinc/84/89/95/396848995.db2.gz VQYHIXZDQBGGRK-CYBMUJFWSA-N 0 0 321.450 0.551 10 0 DCAERN C[C@H](c1nnnn1C1CC1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329779796 396849639 /nfs/dbraw/zinc/84/96/39/396849639.db2.gz MDSKHXGLCILSPP-YRGRVCCFSA-N 0 0 306.414 0.864 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)N(C)[C@@H]3CCOC3)CC(=O)N2C)cnn1C ZINC000329801325 396850702 /nfs/dbraw/zinc/85/07/02/396850702.db2.gz JLCSBLXBCZGPGZ-XUJVJEKNSA-N 0 0 320.393 0.495 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000625376379 396851546 /nfs/dbraw/zinc/85/15/46/396851546.db2.gz HIVBWSGESNVHCA-OAHLLOKOSA-N 0 0 321.421 0.930 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)NC1(CO)Cc2ccccc2C1 ZINC000376010200 396862178 /nfs/dbraw/zinc/86/21/78/396862178.db2.gz SHGVNRVVPOYDNE-UHFFFAOYSA-N 0 0 300.362 0.570 10 0 DCAERN COC(=O)c1cc(C(=O)NCC(=O)NC2CCCCC2)on1 ZINC000611490191 396873565 /nfs/dbraw/zinc/87/35/65/396873565.db2.gz XOWDKGNMPGXCOJ-UHFFFAOYSA-N 0 0 309.322 0.640 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629927445 396889276 /nfs/dbraw/zinc/88/92/76/396889276.db2.gz CWXJNEIRPLEVML-ZIAGYGMSSA-N 0 0 307.394 0.657 10 0 DCAERN O=C(CCn1ccnn1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000600582986 396893084 /nfs/dbraw/zinc/89/30/84/396893084.db2.gz FLNYCYFVXHHZOZ-ZDUSSCGKSA-N 0 0 305.382 0.529 10 0 DCAERN C[C@H](CNC(=O)N1CCN2CCOC[C@@H]2C1)c1nccs1 ZINC000376305207 396906853 /nfs/dbraw/zinc/90/68/53/396906853.db2.gz QFHXEMDIPCYJRR-NEPJUHHUSA-N 0 0 310.423 0.973 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)c2ccn[nH]2)[C@@H]1c1cnn(C)c1 ZINC000618144024 396912128 /nfs/dbraw/zinc/91/21/28/396912128.db2.gz LMAGDCRNJPUVKC-KBPBESRZSA-N 0 0 318.381 0.335 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1 ZINC000625591805 396937457 /nfs/dbraw/zinc/93/74/57/396937457.db2.gz QMEKKAUEZCAPKU-OLZOCXBDSA-N 0 0 301.364 0.513 10 0 DCAERN CO[C@@]1(C)C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000571362442 396943438 /nfs/dbraw/zinc/94/34/38/396943438.db2.gz QVFFNFHLKRPURD-GUYCJALGSA-N 0 0 323.437 0.613 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2cn(C)nn2)ccc1C ZINC000611935503 396951236 /nfs/dbraw/zinc/95/12/36/396951236.db2.gz VOCHGEMUZUMQDQ-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000571430959 396951303 /nfs/dbraw/zinc/95/13/03/396951303.db2.gz HBUJVRVHUJCXED-JHJVBQTASA-N 0 0 317.393 0.878 10 0 DCAERN CN1C[C@H](C(=O)Nc2cnn(CC(N)=O)c2)Cc2ccccc21 ZINC000376866344 396989311 /nfs/dbraw/zinc/98/93/11/396989311.db2.gz IHWGIISTSKVBML-GFCCVEGCSA-N 0 0 313.361 0.616 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000376936744 396998974 /nfs/dbraw/zinc/99/89/74/396998974.db2.gz FLDOQSGURVMBMR-KBPBESRZSA-N 0 0 304.346 0.913 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)ccn1 ZINC000618721684 397018310 /nfs/dbraw/zinc/01/83/10/397018310.db2.gz YFBDTFCUKOAXEQ-VHSXEESVSA-N 0 0 323.349 0.276 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000377041475 397019601 /nfs/dbraw/zinc/01/96/01/397019601.db2.gz SASWVELRUYHPLL-YWPYICTPSA-N 0 0 312.366 0.529 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000377106127 397030467 /nfs/dbraw/zinc/03/04/67/397030467.db2.gz YIJUIRDTUBEIOK-WCBMZHEXSA-N 0 0 305.356 0.116 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc(C)nc3C2)[C@H](C)C1 ZINC000626138519 397088369 /nfs/dbraw/zinc/08/83/69/397088369.db2.gz YXBRTHJHBHUKQU-TZMCWYRMSA-N 0 0 304.394 0.833 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000630572110 397050794 /nfs/dbraw/zinc/05/07/94/397050794.db2.gz ZXJUGNFSKBHGRA-GJZGRUSLSA-N 0 0 319.405 0.911 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000619505730 397141397 /nfs/dbraw/zinc/14/13/97/397141397.db2.gz NEYUXXCHWYQQPH-ZIQFBCGOSA-N 0 0 303.380 0.282 10 0 DCAERN Cn1cc([C@H](NCC(=O)NC(=O)NC2CC2)C(F)(F)F)cn1 ZINC000573410454 397164712 /nfs/dbraw/zinc/16/47/12/397164712.db2.gz SENBDMHQGQZSPA-JTQLQIEISA-N 0 0 319.287 0.601 10 0 DCAERN CC(C)CCS(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000377941163 397166660 /nfs/dbraw/zinc/16/66/60/397166660.db2.gz FVZIUWRYFQTMTL-CYBMUJFWSA-N 0 0 318.439 0.732 10 0 DCAERN CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000597835100 397117609 /nfs/dbraw/zinc/11/76/09/397117609.db2.gz LVKFLFTWPPQIJU-AAEUAGOBSA-N 0 0 303.362 0.823 10 0 DCAERN c1c(CNC2CN(c3ccncn3)C2)nnn1Cc1cccnc1 ZINC000631256166 397193807 /nfs/dbraw/zinc/19/38/07/397193807.db2.gz CQJFIIJYCDSIDU-UHFFFAOYSA-N 0 0 322.376 0.490 10 0 DCAERN c1c(CNC2CN(c3ccncn3)C2)nnn1C[C@H]1CCOC1 ZINC000631256949 397194358 /nfs/dbraw/zinc/19/43/58/397194358.db2.gz UOCASNANVFWXHH-GFCCVEGCSA-N 0 0 315.381 0.083 10 0 DCAERN CCN1CC[C@H](NC(=O)NCc2ccc([S@@](C)=O)cc2)C1=O ZINC000619803414 397195877 /nfs/dbraw/zinc/19/58/77/397195877.db2.gz BOQUPODZFWSXOE-WHEQGISXSA-N 0 0 323.418 0.844 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000601628460 397197645 /nfs/dbraw/zinc/19/76/45/397197645.db2.gz ZWJTZERDLXHIPM-FKIZINRSSA-N 0 0 300.424 0.757 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000378129327 397197840 /nfs/dbraw/zinc/19/78/40/397197840.db2.gz AEJDMAYHGPBECL-GWCFXTLKSA-N 0 0 300.380 0.319 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCN(CC)C1=O ZINC000619824882 397198015 /nfs/dbraw/zinc/19/80/15/397198015.db2.gz APBHCWRZIBMOMG-QWRGUYRKSA-N 0 0 315.439 0.371 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CCCCO ZINC000626627903 397209654 /nfs/dbraw/zinc/20/96/54/397209654.db2.gz CCMXXKAAKSKLRZ-UHFFFAOYSA-N 0 0 315.414 0.027 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC000601819076 397249737 /nfs/dbraw/zinc/24/97/37/397249737.db2.gz UFHFONKWJCQRTQ-JXDHDYMSSA-N 0 0 315.391 0.698 10 0 DCAERN COCc1cncc(C(=O)N2CCO[C@H](CC(=O)OC)C2)c1 ZINC000613234746 397224564 /nfs/dbraw/zinc/22/45/64/397224564.db2.gz MHVGUMXULCOGMG-CYBMUJFWSA-N 0 0 308.334 0.632 10 0 DCAERN COCc1cncc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)c1 ZINC000613237281 397226093 /nfs/dbraw/zinc/22/60/93/397226093.db2.gz KIESYDGEWALZDM-ZDUSSCGKSA-N 0 0 318.333 0.465 10 0 DCAERN NC(=O)c1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000364611824 397226416 /nfs/dbraw/zinc/22/64/16/397226416.db2.gz DQGFTSUKYLHPFF-CQSZACIVSA-N 0 0 318.377 0.012 10 0 DCAERN COC[C@@H](C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364608971 397226696 /nfs/dbraw/zinc/22/66/96/397226696.db2.gz WLXKCLBFPKBUNC-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN O=C1[C@@H](NS(=O)(=O)CCC2CC2)CCN1C1CCOCC1 ZINC000378371559 397236425 /nfs/dbraw/zinc/23/64/25/397236425.db2.gz PGLMSILMVUSUNX-ZDUSSCGKSA-N 0 0 316.423 0.486 10 0 DCAERN CCOC(=O)c1ncc(CN(C)S(=O)(=O)N(C)C)s1 ZINC000601927933 397270718 /nfs/dbraw/zinc/27/07/18/397270718.db2.gz QOKSBIBUWMAXGN-UHFFFAOYSA-N 0 0 307.397 0.558 10 0 DCAERN CCOC(=O)c1ncc(CN2CCCNS2(=O)=O)s1 ZINC000601929148 397270873 /nfs/dbraw/zinc/27/08/73/397270873.db2.gz YAAZYPDETQKGSP-UHFFFAOYSA-N 0 0 305.381 0.360 10 0 DCAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@](C)(CO)COC)c1C ZINC000613534602 397275102 /nfs/dbraw/zinc/27/51/02/397275102.db2.gz NWAKCDRABJHADC-HNNXBMFYSA-N 0 0 312.366 0.935 10 0 DCAERN Cc1nc(N[C@H]2CCNC(=O)CC2)sc1S(N)(=O)=O ZINC000396717465 397311906 /nfs/dbraw/zinc/31/19/06/397311906.db2.gz SDXSVDKYSZUTEE-SSDOTTSWSA-N 0 0 304.397 0.180 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000378530020 397251829 /nfs/dbraw/zinc/25/18/29/397251829.db2.gz DYOORKBQPJQNAV-UHFFFAOYSA-N 0 0 300.318 0.943 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000407953374 397334435 /nfs/dbraw/zinc/33/44/35/397334435.db2.gz CLPKHPUNLIEBEX-UHFFFAOYSA-N 0 0 311.407 0.652 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000407959274 397336799 /nfs/dbraw/zinc/33/67/99/397336799.db2.gz UFOYFANHLVAUGR-GFCCVEGCSA-N 0 0 314.411 0.365 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCN[C@H](c2ccncc2)C1 ZINC000407965929 397340017 /nfs/dbraw/zinc/34/00/17/397340017.db2.gz MJNJEEPSQSVWLL-KBPBESRZSA-N 0 0 323.418 0.522 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCN2CCCCCC2=O)CC(=O)N1C ZINC000407972334 397342638 /nfs/dbraw/zinc/34/26/38/397342638.db2.gz TUGWICAPAQEPKQ-CYBMUJFWSA-N 0 0 324.425 0.651 10 0 DCAERN CCS(=O)(=O)NCCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046537 397345225 /nfs/dbraw/zinc/34/52/25/397345225.db2.gz XDXPLBZHKGEIGT-MCIONIFRSA-N 0 0 320.455 0.178 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2OCCC3)C1=O ZINC000366196255 397349669 /nfs/dbraw/zinc/34/96/69/397349669.db2.gz KSLMHBKIIFOTSU-UHFFFAOYSA-N 0 0 317.301 0.371 10 0 DCAERN NC(=O)Cn1cc(C(=O)Nc2cccc3c2OCCC3)nn1 ZINC000366197745 397349794 /nfs/dbraw/zinc/34/97/94/397349794.db2.gz RGBBVMQBHBLBKK-UHFFFAOYSA-N 0 0 301.306 0.341 10 0 DCAERN CC(=O)NCCCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366222474 397353125 /nfs/dbraw/zinc/35/31/25/397353125.db2.gz IFZBGLLPOXZGHD-OAHLLOKOSA-N 0 0 313.398 0.492 10 0 DCAERN O[C@H]1COCC[C@H]1Nc1ncc(I)cn1 ZINC000599175130 397353718 /nfs/dbraw/zinc/35/37/18/397353718.db2.gz AAXQIBZFDRTXKR-SFYZADRCSA-N 0 0 321.118 0.643 10 0 DCAERN CC(=O)CSCC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000593339891 397353843 /nfs/dbraw/zinc/35/38/43/397353843.db2.gz MGIMWNGQUOVCGJ-UHFFFAOYSA-N 0 0 317.374 0.872 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)C1COC1 ZINC000408364226 397354466 /nfs/dbraw/zinc/35/44/66/397354466.db2.gz IVDAIONSHNIEOW-JLLWLGSASA-N 0 0 303.380 0.521 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)N1CCOCC2(CC2)C1 ZINC000577945430 397372916 /nfs/dbraw/zinc/37/29/16/397372916.db2.gz ZZFOMVFTVRYMKM-BFHYXJOUSA-N 0 0 322.405 0.699 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404170740 397328347 /nfs/dbraw/zinc/32/83/47/397328347.db2.gz VTKLEUCEFLJUDO-OLZOCXBDSA-N 0 0 300.355 0.577 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)CCN1CCO ZINC000369046160 397431002 /nfs/dbraw/zinc/43/10/02/397431002.db2.gz DNETZNWVCCMVHZ-STQMWFEESA-N 0 0 306.410 0.050 10 0 DCAERN CN(CCCO)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000369123172 397432773 /nfs/dbraw/zinc/43/27/73/397432773.db2.gz YMKISUSPUGCEDB-AWEZNQCLSA-N 0 0 317.455 0.218 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000614458357 397443129 /nfs/dbraw/zinc/44/31/29/397443129.db2.gz LRBRPYULHOWOSD-GFCCVEGCSA-N 0 0 319.409 0.847 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000367160307 397398005 /nfs/dbraw/zinc/39/80/05/397398005.db2.gz ZVLIDMPETUIAJG-XHDPSFHLSA-N 0 0 315.377 0.848 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](CO)OC[C@@H]2C)s1 ZINC000602786112 397484716 /nfs/dbraw/zinc/48/47/16/397484716.db2.gz MSHJBTGFKOZFLP-UWVGGRQHSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1OC ZINC000488321509 397489010 /nfs/dbraw/zinc/48/90/10/397489010.db2.gz PZCOTRMFWUAFIE-MNOVXSKESA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC000488305147 397489107 /nfs/dbraw/zinc/48/91/07/397489107.db2.gz DTJPARSDWCCFJU-UHIISALHSA-N 0 0 318.373 0.899 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCCC1CC1 ZINC000578826926 397489133 /nfs/dbraw/zinc/48/91/33/397489133.db2.gz OCOJROQHEVURLP-WDEREUQCSA-N 0 0 313.398 0.932 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000370554169 397500503 /nfs/dbraw/zinc/50/05/03/397500503.db2.gz AKTQMABUQSKFIP-GFCCVEGCSA-N 0 0 314.345 0.813 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)O ZINC000578951624 397505263 /nfs/dbraw/zinc/50/52/63/397505263.db2.gz JDKROYBAUWMAHT-VHSXEESVSA-N 0 0 302.371 0.110 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000579622464 397585331 /nfs/dbraw/zinc/58/53/31/397585331.db2.gz XTJAWIBLXQGJCK-RYUDHWBXSA-N 0 0 316.365 0.358 10 0 DCAERN COCCN1CN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1=O ZINC000579378683 397562316 /nfs/dbraw/zinc/56/23/16/397562316.db2.gz XQIIIZMWOYQRJI-UHFFFAOYSA-N 0 0 310.398 0.096 10 0 DCAERN CCN(C[C@H](O)COC[C@@H]1CCCO1)[C@@H](C)CS(C)(=O)=O ZINC000602958865 397534652 /nfs/dbraw/zinc/53/46/52/397534652.db2.gz VCRXBDWMGNDHSM-IHRRRGAJSA-N 0 0 323.455 0.298 10 0 DCAERN CC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000579737384 397591712 /nfs/dbraw/zinc/59/17/12/397591712.db2.gz KBDWLMDBCGSLQX-CYBMUJFWSA-N 0 0 308.378 0.453 10 0 DCAERN O=C(NCc1nnnn1C1CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000608197603 397720435 /nfs/dbraw/zinc/72/04/35/397720435.db2.gz MJCWSKOTIXJCES-UHFFFAOYSA-N 0 0 311.345 0.996 10 0 DCAERN O=C(NCCCC1CC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605561767 397667754 /nfs/dbraw/zinc/66/77/54/397667754.db2.gz LAVLHIGLLDYYPE-HNNXBMFYSA-N 0 0 323.437 0.474 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000607084705 397695123 /nfs/dbraw/zinc/69/51/23/397695123.db2.gz LODCCSJEGJUWNJ-QWHCGFSZSA-N 0 0 313.423 0.972 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H](C)c1ccncc1 ZINC000610518399 397828815 /nfs/dbraw/zinc/82/88/15/397828815.db2.gz KMIONJQLMDLSOC-NSHDSACASA-N 0 0 315.395 0.514 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000194003236 296569935 /nfs/dbraw/zinc/56/99/35/296569935.db2.gz JAOQEKZGCZJLIW-RAIGVLPGSA-N 0 0 305.382 0.791 10 0 DCAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000132895104 297092905 /nfs/dbraw/zinc/09/29/05/297092905.db2.gz XTZFXGGIZUOLAC-VXGBXAGGSA-N 0 0 302.440 0.895 10 0 DCAERN COc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc(C)n1 ZINC000408022676 286197338 /nfs/dbraw/zinc/19/73/38/286197338.db2.gz NDWJQHWJPCIPAA-KGLIPLIRSA-N 0 0 305.378 0.944 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329618925 299765839 /nfs/dbraw/zinc/76/58/39/299765839.db2.gz GISFULMQCUYNBF-KBPBESRZSA-N 0 0 317.455 0.512 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000113234057 286623183 /nfs/dbraw/zinc/62/31/83/286623183.db2.gz CSOFGVJPNGWBAW-NXEZZACHSA-N 0 0 316.379 0.337 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCO1 ZINC000045811490 157998384 /nfs/dbraw/zinc/99/83/84/157998384.db2.gz HTSIFWCTAZEYKS-PRHODGIISA-N 0 0 311.363 0.702 10 0 DCAERN CN(Cc1ccncc1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000047632304 158003965 /nfs/dbraw/zinc/00/39/65/158003965.db2.gz LICZINLTVBEWSM-UHFFFAOYSA-N 0 0 312.333 0.184 10 0 DCAERN CCC(C)(C)NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1C ZINC000047945269 158006126 /nfs/dbraw/zinc/00/61/26/158006126.db2.gz OHHVUIKKTKASLG-UHFFFAOYSA-N 0 0 314.411 0.771 10 0 DCAERN CCOC(=O)CN(CCOC)S(=O)(=O)c1ccc(O)cc1 ZINC000049607836 158010482 /nfs/dbraw/zinc/01/04/82/158010482.db2.gz HEHPYLARAKQNND-UHFFFAOYSA-N 0 0 317.363 0.592 10 0 DCAERN Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(C)n1 ZINC000051035095 158012833 /nfs/dbraw/zinc/01/28/33/158012833.db2.gz XVSXKJZLBMTJHE-UHFFFAOYSA-N 0 0 311.407 0.806 10 0 DCAERN CCCn1nccc1NC(=O)NCCCNS(=O)(=O)CC ZINC000051233278 158013663 /nfs/dbraw/zinc/01/36/63/158013663.db2.gz SQGJEHBQZHCSDV-UHFFFAOYSA-N 0 0 317.415 0.744 10 0 DCAERN CC(C)c1ccccc1OC[C@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000051581882 158015424 /nfs/dbraw/zinc/01/54/24/158015424.db2.gz GKHQWPSMKZHZLF-CJNGLKHVSA-N 0 0 322.405 0.736 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O ZINC000053409732 158017815 /nfs/dbraw/zinc/01/78/15/158017815.db2.gz UHNBTEPMFFMGTG-APPZFPTMSA-N 0 0 311.288 0.308 10 0 DCAERN CNC(=O)CNC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000053120669 158018905 /nfs/dbraw/zinc/01/89/05/158018905.db2.gz IYBIXLOIWFPPCA-SECBINFHSA-N 0 0 311.288 0.180 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NCc2ccncc2)cc1 ZINC000054025556 158019355 /nfs/dbraw/zinc/01/93/55/158019355.db2.gz JSTXYBGCRMYQAI-UHFFFAOYSA-N 0 0 320.374 0.728 10 0 DCAERN CCOCCOCC(=O)NCc1cccnc1-n1cccn1 ZINC000056971824 158024127 /nfs/dbraw/zinc/02/41/27/158024127.db2.gz BKAHBCMSFWATRT-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000056121341 158024368 /nfs/dbraw/zinc/02/43/68/158024368.db2.gz CIYVCVRONJSIOV-SNVBAGLBSA-N 0 0 324.406 0.479 10 0 DCAERN CCNC(=O)CNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000061377726 158028413 /nfs/dbraw/zinc/02/84/13/158028413.db2.gz MAEFLRXOFXQVIZ-UHFFFAOYSA-N 0 0 301.350 0.808 10 0 DCAERN Cn1nccc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000063537692 158031581 /nfs/dbraw/zinc/03/15/81/158031581.db2.gz DBUDMIUPPUFDFV-UHFFFAOYSA-N 0 0 306.366 0.131 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1c2ccccc2NC1=O)N1CCOCC1 ZINC000063862945 158032483 /nfs/dbraw/zinc/03/24/83/158032483.db2.gz KGWAUWVULZEAHN-GXTWGEPZSA-N 0 0 317.389 0.949 10 0 DCAERN CCCOc1cccc(CNC(=O)CN2CCNC(=O)CC2)c1 ZINC000065954712 158034404 /nfs/dbraw/zinc/03/44/04/158034404.db2.gz UKSFHAUFTATLRY-UHFFFAOYSA-N 0 0 319.405 0.914 10 0 DCAERN COCCNC(=O)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000066372347 158036778 /nfs/dbraw/zinc/03/67/78/158036778.db2.gz VZTPIASCSKUOTP-UHFFFAOYSA-N 0 0 323.378 0.036 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000066919067 158037333 /nfs/dbraw/zinc/03/73/33/158037333.db2.gz QIHNBSBRNGPACY-TUAOUCFPSA-N 0 0 320.411 0.225 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)NCCN1CCc2sccc2C1 ZINC000067466472 158038753 /nfs/dbraw/zinc/03/87/53/158038753.db2.gz IDQWGVZEDJQCNX-CYBMUJFWSA-N 0 0 324.450 0.915 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCN1CCc2sccc2C1 ZINC000067466471 158039150 /nfs/dbraw/zinc/03/91/50/158039150.db2.gz IDQWGVZEDJQCNX-ZDUSSCGKSA-N 0 0 324.450 0.915 10 0 DCAERN CCCC(=O)NCC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000068849475 158042842 /nfs/dbraw/zinc/04/28/42/158042842.db2.gz KDYHQDAJPOCBIX-UHFFFAOYSA-N 0 0 305.378 0.807 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000072524166 158051151 /nfs/dbraw/zinc/05/11/51/158051151.db2.gz FQOOCHVJTWMDFP-AGIUHOORSA-N 0 0 305.382 0.897 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCNC(=O)[C@H]1C ZINC000074675071 158059405 /nfs/dbraw/zinc/05/94/05/158059405.db2.gz KOTIJGSAEVBPCB-JOYOIKCWSA-N 0 0 307.398 0.498 10 0 DCAERN CCCS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000075017612 158060803 /nfs/dbraw/zinc/06/08/03/158060803.db2.gz BNVBAGYIGJXOAO-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000075981727 158063553 /nfs/dbraw/zinc/06/35/53/158063553.db2.gz LOFAJQHOQIEAOF-YPMHNXCESA-N 0 0 324.406 0.506 10 0 DCAERN CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077764793 158070611 /nfs/dbraw/zinc/07/06/11/158070611.db2.gz KHGXKLBEWMLSRI-GFCCVEGCSA-N 0 0 318.333 0.952 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000077827027 158070636 /nfs/dbraw/zinc/07/06/36/158070636.db2.gz HGMZIBBTNSOACV-HRDYMLBCSA-N 0 0 311.304 0.466 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000078962444 158076333 /nfs/dbraw/zinc/07/63/33/158076333.db2.gz BMSYTIHJYMQCKW-ZDUSSCGKSA-N 0 0 319.471 0.758 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC1CCOCC1 ZINC000081568560 158085539 /nfs/dbraw/zinc/08/55/39/158085539.db2.gz GZGRTYIITLINEZ-NSHDSACASA-N 0 0 300.399 0.944 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CC(O)(C2CC2)C1 ZINC000089664001 158098569 /nfs/dbraw/zinc/09/85/69/158098569.db2.gz ORSYMXUPYVRLKM-QMMMGPOBSA-N 0 0 306.284 0.381 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000089572064 158098757 /nfs/dbraw/zinc/09/87/57/158098757.db2.gz KYUXPFXJNQGXII-GFCCVEGCSA-N 0 0 304.350 0.227 10 0 DCAERN Cc1ccccc1-n1cc(C(=O)N2CCOC[C@@H]2C(N)=O)cn1 ZINC000091784491 158109052 /nfs/dbraw/zinc/10/90/52/158109052.db2.gz XOZHEZLGSNENTP-CQSZACIVSA-N 0 0 314.345 0.507 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(F)cc1Cl ZINC000091780364 158109169 /nfs/dbraw/zinc/10/91/69/158109169.db2.gz XRFJZTMGQJWSAD-LLVKDONJSA-N 0 0 300.717 0.734 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccncc2CC)C1 ZINC000092771029 158115131 /nfs/dbraw/zinc/11/51/31/158115131.db2.gz WSTNVONPRZPBHQ-LBPRGKRZSA-N 0 0 311.407 0.798 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCc3ccnn3C)c2=O)s1 ZINC000092865337 158117367 /nfs/dbraw/zinc/11/73/67/158117367.db2.gz UPXSVOPSCIRRJS-UHFFFAOYSA-N 0 0 303.347 0.728 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)nn(C)c1OC ZINC000093417173 158120546 /nfs/dbraw/zinc/12/05/46/158120546.db2.gz KSFMJULMDHMHRG-JTQLQIEISA-N 0 0 303.428 0.992 10 0 DCAERN CCN(Cc1c(C)nn(C)c1OC)[C@@H](C)CS(C)(=O)=O ZINC000093390928 158120815 /nfs/dbraw/zinc/12/08/15/158120815.db2.gz CHPPPCZBEDEPDT-JTQLQIEISA-N 0 0 303.428 0.992 10 0 DCAERN O=C(CNC(=O)COc1ccccc1O)NCc1ccco1 ZINC000096965468 158124504 /nfs/dbraw/zinc/12/45/04/158124504.db2.gz PDOLJSULQGIXPV-UHFFFAOYSA-N 0 0 304.302 0.797 10 0 DCAERN Cc1n[nH]cc1NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000102342753 158126734 /nfs/dbraw/zinc/12/67/34/158126734.db2.gz AFGDVUMVBAGKBX-VIFPVBQESA-N 0 0 305.338 0.910 10 0 DCAERN CC(C)Cc1noc(CN2CCCN(CC(=O)N(C)C)CC2)n1 ZINC000106027613 158133532 /nfs/dbraw/zinc/13/35/32/158133532.db2.gz GVNLKIPXCLWIDV-UHFFFAOYSA-N 0 0 323.441 0.864 10 0 DCAERN COC(=O)NCCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000107476447 158135232 /nfs/dbraw/zinc/13/52/32/158135232.db2.gz ZHHHSILOGJIMMG-LLVKDONJSA-N 0 0 310.354 0.905 10 0 DCAERN COCCN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@H]1C ZINC000109320179 158135969 /nfs/dbraw/zinc/13/59/69/158135969.db2.gz SKSAIVAOSBNUPY-SNVBAGLBSA-N 0 0 312.801 0.991 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC[C@@H](c3nccs3)C2)C1=O ZINC000109053565 158136415 /nfs/dbraw/zinc/13/64/15/158136415.db2.gz JIVZGFOTCAAZST-SNVBAGLBSA-N 0 0 322.390 0.743 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2nncs2)C1 ZINC000109003542 158137183 /nfs/dbraw/zinc/13/71/83/158137183.db2.gz FGJVMQBAKKNFNN-SSDOTTSWSA-N 0 0 305.385 0.084 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000112722036 158143728 /nfs/dbraw/zinc/14/37/28/158143728.db2.gz QIVMHIUWLXHXHK-LLVKDONJSA-N 0 0 303.428 0.852 10 0 DCAERN O=C(NCCCc1cccc(F)c1)NCCN1C(=O)CNC1=O ZINC000113391723 158148135 /nfs/dbraw/zinc/14/81/35/158148135.db2.gz LKUTVIQBOMSAOF-UHFFFAOYSA-N 0 0 322.340 0.609 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000114411434 158153521 /nfs/dbraw/zinc/15/35/21/158153521.db2.gz WDGKNIUXICDLME-ZJUUUORDSA-N 0 0 318.333 0.065 10 0 DCAERN COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482881 158154889 /nfs/dbraw/zinc/15/48/89/158154889.db2.gz UZYWYCMBGJCNKF-WCQYABFASA-N 0 0 323.397 0.797 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114872819 158158960 /nfs/dbraw/zinc/15/89/60/158158960.db2.gz ZGOFWHJMWHJCQQ-SNVBAGLBSA-N 0 0 314.411 0.096 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCN(C)C(=O)OC)CC2 ZINC000114868035 158159240 /nfs/dbraw/zinc/15/92/40/158159240.db2.gz PTLUKOAKBCIJPS-NSHDSACASA-N 0 0 323.397 0.750 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892298 158168621 /nfs/dbraw/zinc/16/86/21/158168621.db2.gz VKUSAAXOKMRALP-QWHCGFSZSA-N 0 0 317.455 0.401 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000117752128 158172971 /nfs/dbraw/zinc/17/29/71/158172971.db2.gz CWDNCWPXKPWIGQ-LRDDRELGSA-N 0 0 318.373 0.916 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000117700249 158173228 /nfs/dbraw/zinc/17/32/28/158173228.db2.gz HRQQUTZYTCOJSQ-LLVKDONJSA-N 0 0 317.349 0.814 10 0 DCAERN CN(C)C(=O)CN(CCc1ccccc1F)CC(=O)N(C)C ZINC000119738462 158190824 /nfs/dbraw/zinc/19/08/24/158190824.db2.gz IKUXTUKSHZOIRG-UHFFFAOYSA-N 0 0 309.385 0.847 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000120348151 158198352 /nfs/dbraw/zinc/19/83/52/158198352.db2.gz AFKKHGNQVLIASI-UTLUCORTSA-N 0 0 312.395 0.797 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N1CCC(n2cncn2)CC1 ZINC000120380790 158198412 /nfs/dbraw/zinc/19/84/12/158198412.db2.gz ZMEILAMULYRZLM-JTQLQIEISA-N 0 0 321.410 0.751 10 0 DCAERN COCCn1ccc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000120396286 158198417 /nfs/dbraw/zinc/19/84/17/158198417.db2.gz DZLSPUTYPYNKIC-WDEREUQCSA-N 0 0 309.370 0.647 10 0 DCAERN Cc1cccc([C@H](C)C(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000120654161 158202060 /nfs/dbraw/zinc/20/20/60/158202060.db2.gz VMACGQPHHYKDIJ-LBPRGKRZSA-N 0 0 311.407 0.446 10 0 DCAERN Cn1cc(NC(=O)NC2(CO)CC2)cc(Br)c1=O ZINC000120949713 158204964 /nfs/dbraw/zinc/20/49/64/158204964.db2.gz STWYKJZQGLVOHI-UHFFFAOYSA-N 0 0 316.155 0.794 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000121071655 158206424 /nfs/dbraw/zinc/20/64/24/158206424.db2.gz GXCPFNDVNROUGT-CQSZACIVSA-N 0 0 319.471 0.760 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000121354754 158210664 /nfs/dbraw/zinc/21/06/64/158210664.db2.gz CUXCDSOLVZLXBA-MNOVXSKESA-N 0 0 324.406 0.085 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C[C@H]1C ZINC000122242270 158219273 /nfs/dbraw/zinc/21/92/73/158219273.db2.gz NCCNAECSWRXRMR-TZMCWYRMSA-N 0 0 321.425 0.629 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N2CC[C@H](CCO)C2)c1 ZINC000122869939 158224959 /nfs/dbraw/zinc/22/49/59/158224959.db2.gz VPTVHMBWHNLLRE-LLVKDONJSA-N 0 0 313.375 0.866 10 0 DCAERN Cn1nccc1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124149905 158238296 /nfs/dbraw/zinc/23/82/96/158238296.db2.gz PZOXGKYDFXFFEF-HNNXBMFYSA-N 0 0 320.437 0.924 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1noc(C)n1 ZINC000124470061 158242175 /nfs/dbraw/zinc/24/21/75/158242175.db2.gz HQVDJMIEMAUQCD-ZDUSSCGKSA-N 0 0 300.318 0.972 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908522 158249150 /nfs/dbraw/zinc/24/91/50/158249150.db2.gz ZGSUMHWPXXIIBB-OCCSQVGLSA-N 0 0 309.366 0.693 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125369692 158255047 /nfs/dbraw/zinc/25/50/47/158255047.db2.gz VCZBABCNGMVANO-UHFFFAOYSA-N 0 0 304.350 0.655 10 0 DCAERN CN(C)c1nc(Cn2c(=O)onc2-c2cnccn2)ns1 ZINC000125556340 158255978 /nfs/dbraw/zinc/25/59/78/158255978.db2.gz KAVFEPBYJPWGCF-UHFFFAOYSA-N 0 0 305.323 0.259 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000125490064 158256902 /nfs/dbraw/zinc/25/69/02/158256902.db2.gz VYETXJZNEGXAES-UHFFFAOYSA-N 0 0 302.338 0.714 10 0 DCAERN O=C1CCN(C[C@@H](O)CN2CCOCC2)c2ccc(F)cc2N1 ZINC000126895293 158269026 /nfs/dbraw/zinc/26/90/26/158269026.db2.gz NGKQRCKMPYDFPL-ZDUSSCGKSA-N 0 0 323.368 0.667 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)cc12 ZINC000127390970 158272357 /nfs/dbraw/zinc/27/23/57/158272357.db2.gz DYSOTRHTQYLTBI-CYBMUJFWSA-N 0 0 315.377 0.859 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccn(C)c(=O)c3)[C@H]2C1 ZINC000127790305 158275862 /nfs/dbraw/zinc/27/58/62/158275862.db2.gz KMJCHZHIOINGAH-HZSPNIEDSA-N 0 0 306.362 0.794 10 0 DCAERN CCc1nsc(N2CCN([C@@H]3CCCCNC3=O)CC2)n1 ZINC000128737176 158282731 /nfs/dbraw/zinc/28/27/31/158282731.db2.gz HUBKMALFIXUGBD-LLVKDONJSA-N 0 0 309.439 0.891 10 0 DCAERN CN(CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)c1cccs1 ZINC000132580426 158311040 /nfs/dbraw/zinc/31/10/40/158311040.db2.gz PTGQXGPTUJICDC-GHMZBOCLSA-N 0 0 323.418 0.980 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCC(=O)N(C)C3)c12 ZINC000133255655 158316961 /nfs/dbraw/zinc/31/69/61/158316961.db2.gz MLOMEXFJMWMXLS-NSHDSACASA-N 0 0 315.377 0.936 10 0 DCAERN C[C@]1(O)CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC000134154864 158323982 /nfs/dbraw/zinc/32/39/82/158323982.db2.gz GLDFYHLTWYTFKH-HNNXBMFYSA-N 0 0 308.382 0.145 10 0 DCAERN COc1cc(C)cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1O ZINC000134390321 158327767 /nfs/dbraw/zinc/32/77/67/158327767.db2.gz RXLJRMCXZMBRKJ-GXTWGEPZSA-N 0 0 306.362 0.864 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)CC1CCOCC1)CC2 ZINC000135104394 158334290 /nfs/dbraw/zinc/33/42/90/158334290.db2.gz MORIDCGFFCAJRY-LBPRGKRZSA-N 0 0 308.382 0.672 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000135322558 158335153 /nfs/dbraw/zinc/33/51/53/158335153.db2.gz KTZLKUUEXRDPRU-TVQRCGJNSA-N 0 0 309.414 0.777 10 0 DCAERN C[C@H](NC(=O)COC[C@@H]1CCOC1)c1nnc2n1CCCC2 ZINC000135308963 158335444 /nfs/dbraw/zinc/33/54/44/158335444.db2.gz RZFYPXNXHJXNOO-NWDGAFQWSA-N 0 0 308.382 0.845 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000135295062 158335507 /nfs/dbraw/zinc/33/55/07/158335507.db2.gz PHDBCVWJSWCFFT-PWSUYJOCSA-N 0 0 304.412 0.342 10 0 DCAERN CC(C)[C@H](C(=O)N(C)CC1CC(O)C1)N1CCCS1(=O)=O ZINC000135379792 158336133 /nfs/dbraw/zinc/33/61/33/158336133.db2.gz QXLNBBVKHDFKIR-WXRRBKDZSA-N 0 0 318.439 0.276 10 0 DCAERN C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1nnc2n1CCCC2 ZINC000135406430 158336263 /nfs/dbraw/zinc/33/62/63/158336263.db2.gz ORVKQIAGXUJIBJ-JTQLQIEISA-N 0 0 319.365 0.331 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574084 158339232 /nfs/dbraw/zinc/33/92/32/158339232.db2.gz MMKXEVFBASNJKK-OLZOCXBDSA-N 0 0 304.394 0.809 10 0 DCAERN CN(C(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744469 158340331 /nfs/dbraw/zinc/34/03/31/158340331.db2.gz UUUAHGRQRGEUBX-CYBMUJFWSA-N 0 0 315.439 0.107 10 0 DCAERN COCCCCS(=O)(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000136120302 158341728 /nfs/dbraw/zinc/34/17/28/158341728.db2.gz ZBLGXXZMNHHCMO-UHFFFAOYSA-N 0 0 320.455 0.933 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)Cn2cnnn2)CC1 ZINC000138755802 158347839 /nfs/dbraw/zinc/34/78/39/158347839.db2.gz MHIOKSFCZHWBCQ-UHFFFAOYSA-N 0 0 316.365 0.467 10 0 DCAERN NC(=O)COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000151023848 158348725 /nfs/dbraw/zinc/34/87/25/158348725.db2.gz CLKZIGLGDPTRHN-OCCSQVGLSA-N 0 0 306.362 0.832 10 0 DCAERN O=C(C1=COCCO1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164621609 158363313 /nfs/dbraw/zinc/36/33/13/158363313.db2.gz YVXWDKVKIMJETM-DGCLKSJQSA-N 0 0 306.362 0.877 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C(C)C ZINC000166884438 158366972 /nfs/dbraw/zinc/36/69/72/158366972.db2.gz RAGSFZHREGAXGH-SNVBAGLBSA-N 0 0 307.354 0.140 10 0 DCAERN C[C@H]1CO[C@H](CO)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000167847662 158369630 /nfs/dbraw/zinc/36/96/30/158369630.db2.gz MFFALDRXWILVTL-ZANVPECISA-N 0 0 300.305 0.985 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000170247650 158374482 /nfs/dbraw/zinc/37/44/82/158374482.db2.gz QPUJVLOSKBNNRP-KRWDZBQOSA-N 0 0 317.389 0.870 10 0 DCAERN COC[C@H](C)N(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000170664984 158375937 /nfs/dbraw/zinc/37/59/37/158375937.db2.gz QPCAXXPWQJKLBQ-VIFPVBQESA-N 0 0 312.395 0.932 10 0 DCAERN Cc1noc(CCNC(=O)NCCN2CCOCC2(C)C)n1 ZINC000170834303 158376861 /nfs/dbraw/zinc/37/68/61/158376861.db2.gz URWUSHKNLVFZJO-UHFFFAOYSA-N 0 0 311.386 0.331 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)CC3)CC2=O)cc1 ZINC000171660446 158385714 /nfs/dbraw/zinc/38/57/14/158385714.db2.gz ZPEAIZOZZPEJLK-ZDUSSCGKSA-N 0 0 320.414 0.939 10 0 DCAERN CCNC(=O)CN(CC)C(=O)NCc1cccnc1N(C)C ZINC000171735250 158386850 /nfs/dbraw/zinc/38/68/50/158386850.db2.gz ULBZZQMRJMUJHI-UHFFFAOYSA-N 0 0 307.398 0.815 10 0 DCAERN O=C(Nc1nncs1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171836673 158387658 /nfs/dbraw/zinc/38/76/58/158387658.db2.gz NEQFFHVGAWSSIU-RXMQYKEDSA-N 0 0 309.273 0.823 10 0 DCAERN NC(=O)CCNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000172067779 158390096 /nfs/dbraw/zinc/39/00/96/158390096.db2.gz OOZAKXNUWKNCHW-LBPRGKRZSA-N 0 0 304.350 0.357 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NCC[C@@H](C)O)CC2)n1 ZINC000172342376 158393932 /nfs/dbraw/zinc/39/39/32/158393932.db2.gz UCSRPTXBXHBLQX-LLVKDONJSA-N 0 0 308.382 0.589 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000172439816 158394094 /nfs/dbraw/zinc/39/40/94/158394094.db2.gz IKWHEFIHZPEPON-MJBXVCDLSA-N 0 0 309.410 0.842 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000172526980 158395009 /nfs/dbraw/zinc/39/50/09/158395009.db2.gz SYUJVBTYNZTXOU-GFCCVEGCSA-N 0 0 313.361 0.941 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)N1CCC[C@@H]1CO ZINC000172471009 158395064 /nfs/dbraw/zinc/39/50/64/158395064.db2.gz AQWIIBBURMLZMW-CYBMUJFWSA-N 0 0 301.350 0.934 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000172578611 158395613 /nfs/dbraw/zinc/39/56/13/158395613.db2.gz KMCDMTNVDWGRGZ-VIFPVBQESA-N 0 0 321.381 0.291 10 0 DCAERN O=C(NCCc1ccccc1O)N[C@@H]1CCc2ncnn2C1 ZINC000172604794 158396722 /nfs/dbraw/zinc/39/67/22/158396722.db2.gz FPMDLKHMXZTPRW-GFCCVEGCSA-N 0 0 301.350 0.840 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000172650776 158397514 /nfs/dbraw/zinc/39/75/14/158397514.db2.gz LTQSAJRGDDJXHB-KOLCDFICSA-N 0 0 307.325 0.925 10 0 DCAERN COC[C@H]1CN(C(=O)Cn2ccc(=O)c3ccccc32)CCO1 ZINC000172629647 158397669 /nfs/dbraw/zinc/39/76/69/158397669.db2.gz QGBMAMIYICEEEK-CYBMUJFWSA-N 0 0 316.357 0.875 10 0 DCAERN C[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@@H]1C ZINC000172648525 158397685 /nfs/dbraw/zinc/39/76/85/158397685.db2.gz CPLHPQALKXEDEJ-GHMZBOCLSA-N 0 0 303.366 0.777 10 0 DCAERN CCN(C)S(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173515469 158406268 /nfs/dbraw/zinc/40/62/68/158406268.db2.gz YKWAQQWRYYMXKF-UHFFFAOYSA-N 0 0 317.415 0.082 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000173827300 158410722 /nfs/dbraw/zinc/41/07/22/158410722.db2.gz JIEXDWWWGUOGLZ-UONOGXRCSA-N 0 0 322.413 0.345 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000175002387 158423526 /nfs/dbraw/zinc/42/35/26/158423526.db2.gz DAOGJXROUZENAE-NSHDSACASA-N 0 0 317.349 0.950 10 0 DCAERN CC(C)OC(=O)[C@@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177339509 158446671 /nfs/dbraw/zinc/44/66/71/158446671.db2.gz YRTAPOQDGYYPKH-QWRGUYRKSA-N 0 0 309.370 1.000 10 0 DCAERN CNC(=O)Cc1nc(CN2CCNC(=O)[C@@H]2C(C)C)cs1 ZINC000177595686 158448396 /nfs/dbraw/zinc/44/83/96/158448396.db2.gz BWBSPQSZEDUECK-ZDUSSCGKSA-N 0 0 310.423 0.388 10 0 DCAERN O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)C[C@H](O)CO ZINC000177670173 158449176 /nfs/dbraw/zinc/44/91/76/158449176.db2.gz RSWUWLWFKNLOMQ-LLVKDONJSA-N 0 0 315.322 0.749 10 0 DCAERN COc1ccccc1/C=C/C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178653265 158461632 /nfs/dbraw/zinc/46/16/32/158461632.db2.gz GNSWNAVEEGDTOJ-LFAOLKIESA-N 0 0 301.390 0.824 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178719565 158462426 /nfs/dbraw/zinc/46/24/26/158462426.db2.gz IOZRKUPLBROFKA-LBPRGKRZSA-N 0 0 306.428 0.478 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000179315781 158471181 /nfs/dbraw/zinc/47/11/81/158471181.db2.gz CGETYRKGCHJVFP-UHFFFAOYSA-N 0 0 315.439 0.909 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@@H]2CCCOC2)cn1C ZINC000181187156 158483117 /nfs/dbraw/zinc/48/31/17/158483117.db2.gz DAWZXKYYBJINFL-SNVBAGLBSA-N 0 0 315.395 0.184 10 0 DCAERN CCN(C(=O)COc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000181779446 158488382 /nfs/dbraw/zinc/48/83/82/158488382.db2.gz LUGBNWPWDCNFCA-GFCCVEGCSA-N 0 0 312.391 0.804 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccnc(-n2cccn2)c1 ZINC000184371791 158507789 /nfs/dbraw/zinc/50/77/89/158507789.db2.gz UAKXGNZZLBVFLT-DGCLKSJQSA-N 0 0 322.390 0.864 10 0 DCAERN Cc1cccnc1/C=C/C(=O)NCCOCCS(C)(=O)=O ZINC000184988070 158513316 /nfs/dbraw/zinc/51/33/16/158513316.db2.gz JAPGVPPKYCQXJL-AATRIKPKSA-N 0 0 312.391 0.581 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185088316 158515480 /nfs/dbraw/zinc/51/54/80/158515480.db2.gz HAOZZCRJKBZAOV-CHWSQXEVSA-N 0 0 312.410 0.993 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186182265 158527576 /nfs/dbraw/zinc/52/75/76/158527576.db2.gz GFIGFRAAYJBYPN-SSDOTTSWSA-N 0 0 314.329 0.868 10 0 DCAERN O=C(NC1CN(S(=O)(=O)C[C@@H]2CCCCO2)C1)C1CCC1 ZINC000186175386 158528306 /nfs/dbraw/zinc/52/83/06/158528306.db2.gz YNXLUNPWLYGEQG-ZDUSSCGKSA-N 0 0 316.423 0.486 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1)C1CCC1 ZINC000188899281 158548802 /nfs/dbraw/zinc/54/88/02/158548802.db2.gz MCKFRXGBRBNBAM-GFCCVEGCSA-N 0 0 317.393 0.577 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000191181865 158566447 /nfs/dbraw/zinc/56/64/47/158566447.db2.gz XSJQEOZAEIUCRK-GFCCVEGCSA-N 0 0 318.377 0.336 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)CC2)[nH]1 ZINC000191589755 158569728 /nfs/dbraw/zinc/56/97/28/158569728.db2.gz OMYGABFBVVKBMY-GHMZBOCLSA-N 0 0 306.366 0.882 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193252131 158581597 /nfs/dbraw/zinc/58/15/97/158581597.db2.gz UOGVQRAPYHKEJH-GFCCVEGCSA-N 0 0 318.377 0.936 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000194618059 158598913 /nfs/dbraw/zinc/59/89/13/158598913.db2.gz ACJBOWAYPJHBNW-NSHDSACASA-N 0 0 312.391 0.151 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000245933455 158656131 /nfs/dbraw/zinc/65/61/31/158656131.db2.gz VELWURBBVNLOHW-OLZOCXBDSA-N 0 0 316.423 0.295 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000247102462 158677370 /nfs/dbraw/zinc/67/73/70/158677370.db2.gz SLUNUADNKSICHI-QWRGUYRKSA-N 0 0 307.325 0.869 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CN2CCSC2=O)C1 ZINC000262726670 158836761 /nfs/dbraw/zinc/83/67/61/158836761.db2.gz SVDQEWPMMFTTCA-UHFFFAOYSA-N 0 0 315.395 0.209 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263306783 158871291 /nfs/dbraw/zinc/87/12/91/158871291.db2.gz XZFCLQHTAMMLHF-LLVKDONJSA-N 0 0 303.353 0.701 10 0 DCAERN C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000327960104 159013280 /nfs/dbraw/zinc/01/32/80/159013280.db2.gz CHSMPORIVYORJG-KCJUWKMLSA-N 0 0 307.803 0.903 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3cncs3)CCO2)n1 ZINC000328612343 159014905 /nfs/dbraw/zinc/01/49/05/159014905.db2.gz PHEQSDPSKSTJBI-GFCCVEGCSA-N 0 0 321.406 0.822 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000328673531 159019488 /nfs/dbraw/zinc/01/94/88/159019488.db2.gz JBLUKCKXLCWIJK-QWHCGFSZSA-N 0 0 323.393 0.440 10 0 DCAERN Cc1noc(CCNS(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000328719919 159024201 /nfs/dbraw/zinc/02/42/01/159024201.db2.gz QKQSBQMSXWLDKS-UHFFFAOYSA-N 0 0 322.390 0.813 10 0 DCAERN O=C1C[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@H]2CCCCN12 ZINC000328752713 159026087 /nfs/dbraw/zinc/02/60/87/159026087.db2.gz RZENEMXHCHXHJE-SDDRHHMPSA-N 0 0 302.396 0.096 10 0 DCAERN C[C@@H](CC(=O)N1CCN2C(=O)NC[C@H]2C1)N1CCCCC1=O ZINC000328752994 159026681 /nfs/dbraw/zinc/02/66/81/159026681.db2.gz NNQCTTXJEUOXMA-RYUDHWBXSA-N 0 0 308.382 0.218 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)no1 ZINC000328839376 159033357 /nfs/dbraw/zinc/03/33/57/159033357.db2.gz OGODFDZWXVNEBU-QWHCGFSZSA-N 0 0 315.395 0.218 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCCN(C)[C@H]3C1)CC2 ZINC000328860197 159035407 /nfs/dbraw/zinc/03/54/07/159035407.db2.gz AHSJASWRBSBCDH-VBNZEHGJSA-N 0 0 318.421 0.457 10 0 DCAERN CC[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)N1CCCC1=O ZINC000328874461 159037189 /nfs/dbraw/zinc/03/71/89/159037189.db2.gz JLISTNGKJJABKS-HZSPNIEDSA-N 0 0 309.410 0.319 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000328884521 159038212 /nfs/dbraw/zinc/03/82/12/159038212.db2.gz MYUGGSIFGPACPQ-LBPRGKRZSA-N 0 0 310.398 0.118 10 0 DCAERN COCc1nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cs1 ZINC000328902464 159039272 /nfs/dbraw/zinc/03/92/72/159039272.db2.gz GQIFVEJKGNZPGX-NWDGAFQWSA-N 0 0 311.407 0.835 10 0 DCAERN NS(=O)(=O)C1CCN(Cc2nc3cccnc3s2)CC1 ZINC000328906950 159039523 /nfs/dbraw/zinc/03/95/23/159039523.db2.gz LDSJTLVAZCZEBL-UHFFFAOYSA-N 0 0 312.420 0.944 10 0 DCAERN COCc1ncsc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328904994 159040029 /nfs/dbraw/zinc/04/00/29/159040029.db2.gz JROZDODYPAEBFB-VXGBXAGGSA-N 0 0 311.407 0.835 10 0 DCAERN O=C([C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000328917978 159041062 /nfs/dbraw/zinc/04/10/62/159041062.db2.gz ADJLZRVEFUMNFS-AAEUAGOBSA-N 0 0 300.366 0.797 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000328943796 159045042 /nfs/dbraw/zinc/04/50/42/159045042.db2.gz ANJFNKALHBDJLU-KBPBESRZSA-N 0 0 320.393 0.937 10 0 DCAERN O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329025535 159052382 /nfs/dbraw/zinc/05/23/82/159052382.db2.gz NSVMAUVBKPYMIG-AAEUAGOBSA-N 0 0 300.366 0.797 10 0 DCAERN Cc1cnc(COCC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)o1 ZINC000329117067 159064332 /nfs/dbraw/zinc/06/43/32/159064332.db2.gz UHQDVYADXLAYBI-QWHCGFSZSA-N 0 0 309.366 0.431 10 0 DCAERN O=C(Cn1cccnc1=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000329117869 159064469 /nfs/dbraw/zinc/06/44/69/159064469.db2.gz USRZVWSXGXQOGS-OLZOCXBDSA-N 0 0 323.418 0.756 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C[C@H]1OC ZINC000329134452 159065864 /nfs/dbraw/zinc/06/58/64/159065864.db2.gz QBRHDMJPHRHBGT-NMFUWQPSSA-N 0 0 323.393 0.760 10 0 DCAERN CN(C)c1noc(CCC(=O)N2CCC[C@H]2Cn2ccnn2)n1 ZINC000329178745 159070798 /nfs/dbraw/zinc/07/07/98/159070798.db2.gz MKEDDMGZGLVTAV-NSHDSACASA-N 0 0 319.369 0.351 10 0 DCAERN CCC[C@H]1C[C@@H]1N1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC000329269557 159078190 /nfs/dbraw/zinc/07/81/90/159078190.db2.gz GVUYOJJFWADVNZ-UWVGGRQHSA-N 0 0 300.380 0.879 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000329295226 159080001 /nfs/dbraw/zinc/08/00/01/159080001.db2.gz JXPBRECUDBWIGX-CHWSQXEVSA-N 0 0 306.366 0.869 10 0 DCAERN c1cn2c(n1)C[C@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329371274 159086263 /nfs/dbraw/zinc/08/62/63/159086263.db2.gz AWRKAKFMDFIXCT-VXGBXAGGSA-N 0 0 300.366 0.668 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000329394115 159089103 /nfs/dbraw/zinc/08/91/03/159089103.db2.gz VBFIUGYYRTXZFG-LLVKDONJSA-N 0 0 313.423 0.377 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)CCO1 ZINC000329492283 159097488 /nfs/dbraw/zinc/09/74/88/159097488.db2.gz TWRLPQKNGWAIPB-LLVKDONJSA-N 0 0 314.411 0.212 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1(=O)=O ZINC000329518230 159098593 /nfs/dbraw/zinc/09/85/93/159098593.db2.gz DYCFDZNAWDUOMB-SECBINFHSA-N 0 0 308.363 0.227 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000329594222 159105594 /nfs/dbraw/zinc/10/55/94/159105594.db2.gz ONFYPUALNVIRKN-FRRDWIJNSA-N 0 0 306.428 0.194 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)sc1C ZINC000329622037 159107538 /nfs/dbraw/zinc/10/75/38/159107538.db2.gz NDVRVWMBFQCVHM-ZETCQYMHSA-N 0 0 324.449 0.568 10 0 DCAERN CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1=O ZINC000329721238 159113928 /nfs/dbraw/zinc/11/39/28/159113928.db2.gz NAHJBQXVIAUBRM-HZSPNIEDSA-N 0 0 309.410 0.176 10 0 DCAERN CCN1CCN(C[C@H](O)CN2CCCC2=O)C[C@H]1c1ncc[nH]1 ZINC000329892295 159126989 /nfs/dbraw/zinc/12/69/89/159126989.db2.gz ADPDJXXQMPGKSY-KBPBESRZSA-N 0 0 321.425 0.072 10 0 DCAERN CN(C(=O)C1(O)CCOCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000330005270 159135409 /nfs/dbraw/zinc/13/54/09/159135409.db2.gz DDOGBJZDDGUEHL-CYBMUJFWSA-N 0 0 320.393 0.445 10 0 DCAERN CC(C)C(=O)N1CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000330033505 159137355 /nfs/dbraw/zinc/13/73/55/159137355.db2.gz VOJSNXWVKZSZAU-OAHLLOKOSA-N 0 0 323.437 0.567 10 0 DCAERN O=C1CCCN1[C@@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000330159103 159146355 /nfs/dbraw/zinc/14/63/55/159146355.db2.gz QJECCVCAXXUZAG-NEPJUHHUSA-N 0 0 302.396 0.192 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CN2CCCCC2=O)C1 ZINC000330166696 159147426 /nfs/dbraw/zinc/14/74/26/159147426.db2.gz YHKCLQZIKIFIIY-NWDGAFQWSA-N 0 0 322.365 0.679 10 0 DCAERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)CC2CC2)cn1 ZINC000330173412 159148209 /nfs/dbraw/zinc/14/82/09/159148209.db2.gz YKFBIPPSUAIMHV-YPMHNXCESA-N 0 0 312.395 0.910 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CCO[C@H]1C ZINC000330190983 159148854 /nfs/dbraw/zinc/14/88/54/159148854.db2.gz MUOCNUNFGBQOBD-YUTCNCBUSA-N 0 0 318.439 0.874 10 0 DCAERN O=c1[nH]ccc2c1CN(S(=O)(=O)c1cnc3n1CCC3)CC2 ZINC000330270923 159155669 /nfs/dbraw/zinc/15/56/69/159155669.db2.gz VAVCIWABSGVMAV-UHFFFAOYSA-N 0 0 320.374 0.677 10 0 DCAERN C[C@H](C(=O)N1CCC(Oc2cnccn2)CC1)N1CCOCC1 ZINC000330298939 159157661 /nfs/dbraw/zinc/15/76/61/159157661.db2.gz HSLKWCAMPMSRBK-CYBMUJFWSA-N 0 0 320.393 0.567 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000330441170 159173286 /nfs/dbraw/zinc/17/32/86/159173286.db2.gz UULVMZDPHPACQF-WCBMZHEXSA-N 0 0 301.412 0.327 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000330506491 159182410 /nfs/dbraw/zinc/18/24/10/159182410.db2.gz DBIKSXHRFLXXNF-QWRGUYRKSA-N 0 0 303.355 0.904 10 0 DCAERN COc1cc(F)cc(CNC(=O)[C@]2(O)CCCN(C(C)=O)C2)c1 ZINC000330556800 159192334 /nfs/dbraw/zinc/19/23/34/159192334.db2.gz FRUJYUWFOZXENU-INIZCTEOSA-N 0 0 324.352 0.824 10 0 DCAERN CCN(C(=O)N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000332753354 159212420 /nfs/dbraw/zinc/21/24/20/159212420.db2.gz HJUSDSGJOPHAIZ-XQQFMLRXSA-N 0 0 316.423 0.773 10 0 DCAERN CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)c1noc(COCC)n1 ZINC000358479090 159255188 /nfs/dbraw/zinc/25/51/88/159255188.db2.gz OJUVBBFLJDZTLX-DTWKUNHWSA-N 0 0 313.358 0.491 10 0 DCAERN CCCOc1cccc(CNC(=O)CN2CC(=O)N(C)C2)c1 ZINC000360474013 159270186 /nfs/dbraw/zinc/27/01/86/159270186.db2.gz MKQXVXTXGKEPJV-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC(c3noc(C4CC4)n3)CC2)C1 ZINC000364061263 159273641 /nfs/dbraw/zinc/27/36/41/159273641.db2.gz CHHPKNPILLGSCC-ZDUSSCGKSA-N 0 0 320.393 0.984 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000367176131 159319230 /nfs/dbraw/zinc/31/92/30/159319230.db2.gz GWARYNZMBZLRBD-NSHDSACASA-N 0 0 324.402 0.831 10 0 DCAERN C[C@H](COCC(F)(F)F)NC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000367481229 159341330 /nfs/dbraw/zinc/34/13/30/159341330.db2.gz RVRKNYNCCCOPGL-BDAKNGLRSA-N 0 0 311.304 0.861 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCc3ncccc3C2)C1 ZINC000367858846 159361054 /nfs/dbraw/zinc/36/10/54/159361054.db2.gz MLZUCPSFAIGERS-OAHLLOKOSA-N 0 0 316.405 0.567 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000368211248 159382268 /nfs/dbraw/zinc/38/22/68/159382268.db2.gz CRQQWBXOOPXPSS-INIZCTEOSA-N 0 0 303.406 0.628 10 0 DCAERN CC(C)[C@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000368392431 159392513 /nfs/dbraw/zinc/39/25/13/159392513.db2.gz IKCAMNPRQFKYKV-UONOGXRCSA-N 0 0 320.455 0.130 10 0 DCAERN COCCCS(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000370704474 159536378 /nfs/dbraw/zinc/53/63/78/159536378.db2.gz ZLPIXADYNRNLDT-ZDUSSCGKSA-N 0 0 307.412 0.623 10 0 DCAERN CN1C[C@H](C(=O)N2CC(n3ccnn3)C2)c2ccccc2C1=O ZINC000373319311 159674920 /nfs/dbraw/zinc/67/49/20/159674920.db2.gz OBOVQNJWRZVYQE-AWEZNQCLSA-N 0 0 311.345 0.531 10 0 DCAERN C[C@H]1CN(C(=O)NCc2nnn(C)n2)C[C@H](c2ccccc2)O1 ZINC000373337318 159676245 /nfs/dbraw/zinc/67/62/45/159676245.db2.gz MOBKMEKHZJSMEB-WCQYABFASA-N 0 0 316.365 0.882 10 0 DCAERN COc1cncc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000374759755 159750615 /nfs/dbraw/zinc/75/06/15/159750615.db2.gz OAHPTVDIBBRZGI-FZMZJTMJSA-N 0 0 321.377 0.783 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1=O ZINC000374957035 159761893 /nfs/dbraw/zinc/76/18/93/159761893.db2.gz VNWOGIHELHYESD-KGLIPLIRSA-N 0 0 324.421 0.899 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccccc2F)C1 ZINC000375237849 159779767 /nfs/dbraw/zinc/77/97/67/159779767.db2.gz GYQBPLAVAKCVHW-NWDGAFQWSA-N 0 0 303.355 0.737 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000375603848 159804182 /nfs/dbraw/zinc/80/41/82/159804182.db2.gz SAUFYOMOYWVHKD-GHMZBOCLSA-N 0 0 319.365 0.677 10 0 DCAERN Cc1cc(CCNC(=O)[C@@H]2COCCN2CC(F)(F)F)on1 ZINC000376484487 159860388 /nfs/dbraw/zinc/86/03/88/159860388.db2.gz KWFGWTLDDWBMMC-NSHDSACASA-N 0 0 321.299 0.905 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2C(F)F)c1=O ZINC000407962468 159998027 /nfs/dbraw/zinc/99/80/27/159998027.db2.gz MVVLCMOZXJVAKF-SECBINFHSA-N 0 0 301.293 0.193 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000407968608 159999135 /nfs/dbraw/zinc/99/91/35/159999135.db2.gz VRDWKKZKTZUJKL-XQQFMLRXSA-N 0 0 316.467 0.759 10 0 DCAERN C[C@@H]1CN(C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1C ZINC000407972964 160000119 /nfs/dbraw/zinc/00/01/19/160000119.db2.gz OPHWQPIOXIYPFU-CYBMUJFWSA-N 0 0 324.425 0.651 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC(=O)N(C)[C@@H](C)C3)cnc12 ZINC000407973016 160000273 /nfs/dbraw/zinc/00/02/73/160000273.db2.gz WTJPITALIQHQDG-NSHDSACASA-N 0 0 314.345 0.306 10 0 DCAERN CO[C@H](C)c1nsc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000407977445 160000862 /nfs/dbraw/zinc/00/08/62/160000862.db2.gz STGHPJQVDXOVSJ-MRVPVSSYSA-N 0 0 306.413 0.327 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)CS(=O)(=O)N(C)C)C2)[nH]n1 ZINC000407980433 160001664 /nfs/dbraw/zinc/00/16/64/160001664.db2.gz ISQNVOVGVJHACI-NSHDSACASA-N 0 0 314.411 0.316 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000407981947 160002872 /nfs/dbraw/zinc/00/28/72/160002872.db2.gz WEUVWBGQVCPQBB-ZDUSSCGKSA-N 0 0 308.378 0.451 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(O)(CC)C1 ZINC000407995565 160006027 /nfs/dbraw/zinc/00/60/27/160006027.db2.gz KUOWXLZGQUMWHO-QWRGUYRKSA-N 0 0 300.424 0.917 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)n1 ZINC000408001649 160007769 /nfs/dbraw/zinc/00/77/69/160007769.db2.gz QWJDPEZMZWKEGB-YPMHNXCESA-N 0 0 308.382 0.805 10 0 DCAERN CC[C@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1N1CCOCC1 ZINC000408004151 160008796 /nfs/dbraw/zinc/00/87/96/160008796.db2.gz KOSNLSLUIBWYMW-WFASDCNBSA-N 0 0 305.378 0.970 10 0 DCAERN CC1CCC(N2C[C@@H](C(=O)N3CCO[C@@H](CO)C3)CC2=O)CC1 ZINC000408004887 160008903 /nfs/dbraw/zinc/00/89/03/160008903.db2.gz ZWFJQJNDURPVHD-OOJKYFRXSA-N 0 0 324.421 0.633 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCCO[C@H](C)C3)nc2n1 ZINC000408008020 160009478 /nfs/dbraw/zinc/00/94/78/160009478.db2.gz KPGNUURIXVXEMJ-GFCCVEGCSA-N 0 0 303.366 0.921 10 0 DCAERN CNC(=O)C(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000408014611 160011455 /nfs/dbraw/zinc/01/14/55/160011455.db2.gz XREJSOVYDJJKRF-UHFFFAOYSA-N 0 0 305.382 0.303 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408023183 160014116 /nfs/dbraw/zinc/01/41/16/160014116.db2.gz YBJPAFLACAEMCV-GMTAPVOTSA-N 0 0 313.423 0.410 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408026444 160014585 /nfs/dbraw/zinc/01/45/85/160014585.db2.gz DYYKYLQMPNJLKY-CMPLNLGQSA-N 0 0 319.427 0.229 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408027175 160015838 /nfs/dbraw/zinc/01/58/38/160015838.db2.gz LXBFXDGPGSLBIF-ZDEQEGDKSA-N 0 0 322.427 0.076 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408028802 160016060 /nfs/dbraw/zinc/01/60/60/160016060.db2.gz QPQDKQJDPNJECH-ONGXEEELSA-N 0 0 318.399 0.031 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCSC3)C2)c1=O ZINC000408036276 160018320 /nfs/dbraw/zinc/01/83/20/160018320.db2.gz QVSVKTFJZOXXOJ-RYUDHWBXSA-N 0 0 322.434 0.618 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000408038091 160019877 /nfs/dbraw/zinc/01/98/77/160019877.db2.gz KGTYMMJGLJJHJC-STQMWFEESA-N 0 0 305.382 0.528 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@](C)(O)C1 ZINC000408053110 160024260 /nfs/dbraw/zinc/02/42/60/160024260.db2.gz NNYPWGARUFDEGJ-GFCCVEGCSA-N 0 0 318.420 0.691 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C(N)=O ZINC000408057164 160025085 /nfs/dbraw/zinc/02/50/85/160025085.db2.gz QGRXFTRDWKJPBE-NQBHXWOUSA-N 0 0 307.394 0.357 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)nc1C ZINC000408058818 160025865 /nfs/dbraw/zinc/02/58/65/160025865.db2.gz MJMZKNLCWLDXNY-ONGXEEELSA-N 0 0 314.411 0.486 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408064585 160026643 /nfs/dbraw/zinc/02/66/43/160026643.db2.gz LEGIFIPYMTWPCL-JLLWLGSASA-N 0 0 313.373 0.496 10 0 DCAERN CCOC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCC1 ZINC000408072585 160029179 /nfs/dbraw/zinc/02/91/79/160029179.db2.gz NUDJBVWPRJEBPE-LLVKDONJSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C[C@H](C)O1 ZINC000408076616 160030288 /nfs/dbraw/zinc/03/02/88/160030288.db2.gz LHFFSFOPGPBJTR-WRWGMCAJSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408080147 160031701 /nfs/dbraw/zinc/03/17/01/160031701.db2.gz LWHMCHLSRFMWJU-IGQOVBAYSA-N 0 0 322.405 0.924 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000408083074 160031860 /nfs/dbraw/zinc/03/18/60/160031860.db2.gz STNVPKOXMIOOJY-UHFFFAOYSA-N 0 0 303.380 0.365 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)C[C@H]1O ZINC000408087454 160032345 /nfs/dbraw/zinc/03/23/45/160032345.db2.gz DWKKHFKXOWBJCY-QMTHXVAHSA-N 0 0 309.391 0.965 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@@H]1O ZINC000408091066 160033549 /nfs/dbraw/zinc/03/35/49/160033549.db2.gz GNCIQXCTEOIPFG-AAEUAGOBSA-N 0 0 304.346 0.641 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408093286 160034080 /nfs/dbraw/zinc/03/40/80/160034080.db2.gz ASBWPISAUAPCRB-JOYOIKCWSA-N 0 0 304.350 0.103 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)CC2 ZINC000408093368 160034506 /nfs/dbraw/zinc/03/45/06/160034506.db2.gz VHLCAKMSCKAZTP-QJPTWQEYSA-N 0 0 307.398 0.568 10 0 DCAERN C[C@@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@H]1O ZINC000408093518 160034583 /nfs/dbraw/zinc/03/45/83/160034583.db2.gz CCUBDPVLRBRHBH-ZWNOBZJWSA-N 0 0 301.346 0.776 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000408097127 160035041 /nfs/dbraw/zinc/03/50/41/160035041.db2.gz IXALWXMBESZEIY-SNVBAGLBSA-N 0 0 322.408 0.290 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCc3nn(C)c(=O)cc3C2)o1 ZINC000408097529 160035075 /nfs/dbraw/zinc/03/50/75/160035075.db2.gz MHQGQTGFHSGUHF-UHFFFAOYSA-N 0 0 309.347 0.429 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCOC2)C1 ZINC000408100582 160035685 /nfs/dbraw/zinc/03/56/85/160035685.db2.gz YQWPAJYNJSKBSG-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000408100581 160036018 /nfs/dbraw/zinc/03/60/18/160036018.db2.gz YQWPAJYNJSKBSG-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H]1SCCN(C(=O)c2ccnc(S(C)(=O)=O)n2)[C@H]1C ZINC000408108390 160037168 /nfs/dbraw/zinc/03/71/68/160037168.db2.gz UTCZDFNAMXISIG-DTWKUNHWSA-N 0 0 315.420 0.846 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000408106648 160037417 /nfs/dbraw/zinc/03/74/17/160037417.db2.gz YUOPRKHHOGTUQE-GHMZBOCLSA-N 0 0 320.411 0.416 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C)o1 ZINC000408115806 160039629 /nfs/dbraw/zinc/03/96/29/160039629.db2.gz MDTMMRUDRFZWCN-JTQLQIEISA-N 0 0 316.379 0.422 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408117620 160040405 /nfs/dbraw/zinc/04/04/05/160040405.db2.gz FQWWZZTYZUIGCI-MCIONIFRSA-N 0 0 312.410 0.801 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408120527 160041126 /nfs/dbraw/zinc/04/11/26/160041126.db2.gz XHOOAFGGDQGFEH-NSHDSACASA-N 0 0 318.439 0.874 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCSC[C@H]1CCO ZINC000408125759 160042922 /nfs/dbraw/zinc/04/29/22/160042922.db2.gz FEHDFFDVFDMDHN-MNOVXSKESA-N 0 0 318.464 0.624 10 0 DCAERN C[C@@H](CN1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131149 160043654 /nfs/dbraw/zinc/04/36/54/160043654.db2.gz GMWZJDIDJLDEPL-LBPRGKRZSA-N 0 0 319.471 0.745 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408133375 160044066 /nfs/dbraw/zinc/04/40/66/160044066.db2.gz NTWGQLYSPRZVQF-STQMWFEESA-N 0 0 317.455 0.810 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CC[C@H](C)C1 ZINC000408134907 160045366 /nfs/dbraw/zinc/04/53/66/160045366.db2.gz WJBNEAQQXXPDLG-WDEREUQCSA-N 0 0 313.427 0.852 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408140043 160045921 /nfs/dbraw/zinc/04/59/21/160045921.db2.gz QBIOOSULSDCKJD-ZDUSSCGKSA-N 0 0 319.409 0.964 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 ZINC000408140267 160046311 /nfs/dbraw/zinc/04/63/11/160046311.db2.gz QYUNCVHWIHPXBC-QMMMGPOBSA-N 0 0 312.317 0.887 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC000408147848 160047866 /nfs/dbraw/zinc/04/78/66/160047866.db2.gz IMISLKLPKJTERK-UONOGXRCSA-N 0 0 309.410 0.762 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000408156940 160049213 /nfs/dbraw/zinc/04/92/13/160049213.db2.gz FFAREHJZWAOPNZ-QWHCGFSZSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1 ZINC000408162615 160050148 /nfs/dbraw/zinc/05/01/48/160050148.db2.gz XYLXDNHOTXDHAD-OLZOCXBDSA-N 0 0 309.410 0.810 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408164056 160050453 /nfs/dbraw/zinc/05/04/53/160050453.db2.gz GFGCQZNIAZNGNK-RWMBFGLXSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@H]1CCCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408164878 160051001 /nfs/dbraw/zinc/05/10/01/160051001.db2.gz ODTHECFSGZOLKX-NSHDSACASA-N 0 0 303.428 0.693 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408166219 160051030 /nfs/dbraw/zinc/05/10/30/160051030.db2.gz XIWUBKVUJRCKFP-UWVGGRQHSA-N 0 0 309.395 0.381 10 0 DCAERN CC[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000408169595 160051814 /nfs/dbraw/zinc/05/18/14/160051814.db2.gz RJXFMJQAHPRCQC-ZFWWWQNUSA-N 0 0 319.405 0.866 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)N1CCOCC1 ZINC000408169376 160051866 /nfs/dbraw/zinc/05/18/66/160051866.db2.gz NUQMPCICVYPETF-OLZOCXBDSA-N 0 0 305.444 0.273 10 0 DCAERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCOCC2(CC2)C1 ZINC000408173661 160052756 /nfs/dbraw/zinc/05/27/56/160052756.db2.gz BVFKMLWLMZLVMH-VIFPVBQESA-N 0 0 323.315 0.875 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1C ZINC000408175179 160052834 /nfs/dbraw/zinc/05/28/34/160052834.db2.gz XLMKCRQSIZYWIS-ZDUSSCGKSA-N 0 0 320.393 0.738 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000408180240 160054276 /nfs/dbraw/zinc/05/42/76/160054276.db2.gz OKSBNVXYKCRFPT-XQQFMLRXSA-N 0 0 324.425 0.600 10 0 DCAERN Cc1ccc2oc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2n1 ZINC000408182498 160054525 /nfs/dbraw/zinc/05/45/25/160054525.db2.gz KEGQPIRAAOCMPL-JTQLQIEISA-N 0 0 323.374 0.900 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000408186876 160054852 /nfs/dbraw/zinc/05/48/52/160054852.db2.gz XNIWIVLTTROPPK-GHMZBOCLSA-N 0 0 306.453 0.764 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408184839 160055461 /nfs/dbraw/zinc/05/54/61/160055461.db2.gz AATVOSJSYVVZDH-CABZTGNLSA-N 0 0 304.350 0.820 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000408188893 160055895 /nfs/dbraw/zinc/05/58/95/160055895.db2.gz UVDNELNGNBCEKE-IACUBPJLSA-N 0 0 324.402 0.438 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000408188737 160056223 /nfs/dbraw/zinc/05/62/23/160056223.db2.gz UOHZRDMMCDNKRC-CYZMBNFOSA-N 0 0 324.402 0.485 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ncccc3F)CC2)CC(=O)N1 ZINC000408202183 160059118 /nfs/dbraw/zinc/05/91/18/160059118.db2.gz LMGSNWSHETWNCU-VXGBXAGGSA-N 0 0 320.368 0.784 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408202631 160059177 /nfs/dbraw/zinc/05/91/77/160059177.db2.gz JGUGNPHYTDVURS-PTRXPTGYSA-N 0 0 308.300 0.817 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)N2CCc3ccccc3C2)CCC1=O ZINC000408202420 160059421 /nfs/dbraw/zinc/05/94/21/160059421.db2.gz MNUCEXLHHIWWIR-AWEZNQCLSA-N 0 0 323.418 0.500 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000408206391 160059983 /nfs/dbraw/zinc/05/99/83/160059983.db2.gz TVHVOMPABNFRBO-QWHCGFSZSA-N 0 0 309.410 0.618 10 0 DCAERN Cn1nccc1C1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC000408207993 160060162 /nfs/dbraw/zinc/06/01/62/160060162.db2.gz YVEYASNDGVVOMA-UHFFFAOYSA-N 0 0 313.423 0.949 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)nc1C ZINC000408217623 160062214 /nfs/dbraw/zinc/06/22/14/160062214.db2.gz FQSOQBABNHMYBB-GHMZBOCLSA-N 0 0 312.395 0.111 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000408218233 160062295 /nfs/dbraw/zinc/06/22/95/160062295.db2.gz HLLUZYAYXFQXJK-WNYYMSAVSA-N 0 0 300.424 0.916 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN3C(=O)N=NC3C2)c1C ZINC000408223624 160063291 /nfs/dbraw/zinc/06/32/91/160063291.db2.gz KFOKMSFBSCKHMA-UHFFFAOYSA-N 0 0 303.322 0.787 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000408225026 160064008 /nfs/dbraw/zinc/06/40/08/160064008.db2.gz IXUFMWHVEGPAHN-XQQFMLRXSA-N 0 0 309.410 0.666 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408231750 160064354 /nfs/dbraw/zinc/06/43/54/160064354.db2.gz PGJVFHOHDWYJRE-SCZZXKLOSA-N 0 0 310.366 0.818 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3COCCO3)CC2)s1 ZINC000408232334 160065212 /nfs/dbraw/zinc/06/52/12/160065212.db2.gz NONFRTWWXIHNSN-GFCCVEGCSA-N 0 0 311.407 0.770 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)N1CCCC1 ZINC000408237732 160066805 /nfs/dbraw/zinc/06/68/05/160066805.db2.gz RTQWVLIRJWCJOV-SNVBAGLBSA-N 0 0 300.428 0.898 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCS1(=O)=O ZINC000408238900 160066826 /nfs/dbraw/zinc/06/68/26/160066826.db2.gz ZAAKHHWOHUWWCW-GFCCVEGCSA-N 0 0 317.455 0.689 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)nn1C ZINC000408241063 160067049 /nfs/dbraw/zinc/06/70/49/160067049.db2.gz HILKZIOAZBNUER-WDEREUQCSA-N 0 0 314.411 0.319 10 0 DCAERN CN(C)c1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(=O)[nH]1 ZINC000408242359 160067548 /nfs/dbraw/zinc/06/75/48/160067548.db2.gz STEJNBDGSKMJNJ-AXTRIDKLSA-N 0 0 306.366 0.792 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CCCS2)C1 ZINC000408246604 160068189 /nfs/dbraw/zinc/06/81/89/160068189.db2.gz NSRQZDHFFLUCRQ-UWVGGRQHSA-N 0 0 307.441 0.215 10 0 DCAERN CC(C)C[C@H]1COCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408260335 160071519 /nfs/dbraw/zinc/07/15/19/160071519.db2.gz URZHTJHYTDTYRB-NSHDSACASA-N 0 0 311.382 0.590 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408262967 160071989 /nfs/dbraw/zinc/07/19/89/160071989.db2.gz ADHASKNTMQBNBX-TUAOUCFPSA-N 0 0 309.370 0.294 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCO[C@H](C(C)C)C2)N(C(C)=O)C1 ZINC000408272588 160073581 /nfs/dbraw/zinc/07/35/81/160073581.db2.gz GFDFYSFXJPYGNL-XQLPTFJDSA-N 0 0 312.410 0.942 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000408275286 160074558 /nfs/dbraw/zinc/07/45/58/160074558.db2.gz XENOJRUEQRARMJ-IJEWVQPXSA-N 0 0 307.394 0.477 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)N1CCOCC1 ZINC000408277377 160074992 /nfs/dbraw/zinc/07/49/92/160074992.db2.gz OIVBGODDGMPEKG-SYQHCUMBSA-N 0 0 310.394 0.507 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCC[C@@H]2C)c(C)nn1C ZINC000408291220 160077595 /nfs/dbraw/zinc/07/75/95/160077595.db2.gz WQSCIASCPKZRSH-VIFPVBQESA-N 0 0 302.400 0.556 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000408294473 160078264 /nfs/dbraw/zinc/07/82/64/160078264.db2.gz MXDBMUPXTDMANJ-NWDGAFQWSA-N 0 0 323.393 0.565 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H](O)C1 ZINC000408293485 160078292 /nfs/dbraw/zinc/07/82/92/160078292.db2.gz YLZPWXPDFVENJG-SECBINFHSA-N 0 0 302.334 0.758 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)[S@@](C)=O ZINC000408307052 160081365 /nfs/dbraw/zinc/08/13/65/160081365.db2.gz RTFCQIJLBUEZHI-VMMKKLLLSA-N 0 0 318.439 0.733 10 0 DCAERN CCC(=O)N[C@H]1CCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408307423 160081402 /nfs/dbraw/zinc/08/14/02/160081402.db2.gz GMKYUWUPIVXPFO-ZFWWWQNUSA-N 0 0 323.437 0.757 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408308340 160082093 /nfs/dbraw/zinc/08/20/93/160082093.db2.gz VPNOASWULVEHKV-AGIUHOORSA-N 0 0 324.425 0.729 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408316662 160083043 /nfs/dbraw/zinc/08/30/43/160083043.db2.gz CUEMUWAKCYSSEV-VIFPVBQESA-N 0 0 304.334 0.267 10 0 DCAERN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324258 160085598 /nfs/dbraw/zinc/08/55/98/160085598.db2.gz JXINFHGKFICSKR-AWEZNQCLSA-N 0 0 304.394 0.539 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324413 160085654 /nfs/dbraw/zinc/08/56/54/160085654.db2.gz LYJCTIVLFSRFTJ-UHFFFAOYSA-N 0 0 301.350 0.275 10 0 DCAERN CSc1c(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cnn1C ZINC000408328321 160086156 /nfs/dbraw/zinc/08/61/56/160086156.db2.gz JGDVAMUFQFHFQH-CQSZACIVSA-N 0 0 308.407 0.884 10 0 DCAERN C[C@@H](CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1)[S@](C)=O ZINC000408345478 160088973 /nfs/dbraw/zinc/08/89/73/160088973.db2.gz BGOUTHMAXFTICK-OVWNDWIMSA-N 0 0 324.468 0.362 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408354420 160090912 /nfs/dbraw/zinc/09/09/12/160090912.db2.gz HQQLFWTZKVBDHC-STQMWFEESA-N 0 0 322.409 0.261 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000408367814 160093355 /nfs/dbraw/zinc/09/33/55/160093355.db2.gz YIIQOFZNBSDEIB-MJBXVCDLSA-N 0 0 319.471 0.208 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000408368085 160093787 /nfs/dbraw/zinc/09/37/87/160093787.db2.gz BRFGZINCYROKOL-CQSZACIVSA-N 0 0 316.361 0.519 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](O)[C@@H](C)C3)cnc12 ZINC000408373409 160094493 /nfs/dbraw/zinc/09/44/93/160094493.db2.gz DNBODPXKKIIOSM-AAEUAGOBSA-N 0 0 301.346 0.846 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408375552 160095320 /nfs/dbraw/zinc/09/53/20/160095320.db2.gz SWILPWPKDWFRLW-OLZOCXBDSA-N 0 0 312.410 0.633 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000408378018 160095321 /nfs/dbraw/zinc/09/53/21/160095321.db2.gz STFNWFDPNGSOBV-QMMMGPOBSA-N 0 0 304.393 0.381 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCN(CC(F)F)CC2)CC1=O ZINC000408382506 160096761 /nfs/dbraw/zinc/09/67/61/160096761.db2.gz RQYSALVDUASNQO-NSHDSACASA-N 0 0 318.368 0.588 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2CCC(C)CC2)n1 ZINC000408388494 160097519 /nfs/dbraw/zinc/09/75/19/160097519.db2.gz CVSIMCUEAAVPDG-QWHCGFSZSA-N 0 0 308.382 0.744 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408390408 160098100 /nfs/dbraw/zinc/09/81/00/160098100.db2.gz VLZVLVSUDIZXGM-NSHDSACASA-N 0 0 305.256 0.805 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000408389410 160098505 /nfs/dbraw/zinc/09/85/05/160098505.db2.gz JUDHMZSAGLLWFQ-QLFBSQMISA-N 0 0 320.393 0.625 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000408391999 160099065 /nfs/dbraw/zinc/09/90/65/160099065.db2.gz AVNIRORYPWIMHM-GRYCIOLGSA-N 0 0 306.366 0.422 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@H]2C)c(C)o1 ZINC000408396091 160099650 /nfs/dbraw/zinc/09/96/50/160099650.db2.gz OJNHRCIECUAJRO-SECBINFHSA-N 0 0 315.395 0.272 10 0 DCAERN CCS(=O)(=O)N1CCN(Cc2ncnn2C(C)C)CC1 ZINC000408400886 160101021 /nfs/dbraw/zinc/10/10/21/160101021.db2.gz YFVRTMPRRRDVJP-UHFFFAOYSA-N 0 0 301.416 0.326 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1N1CCOCC1 ZINC000408417098 160103346 /nfs/dbraw/zinc/10/33/46/160103346.db2.gz XNXZORJDJWZZIG-QWRGUYRKSA-N 0 0 307.350 0.171 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(C(C)(C)O)C1 ZINC000408421749 160104095 /nfs/dbraw/zinc/10/40/95/160104095.db2.gz BKGXYMDFARFTKS-GFCCVEGCSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)CO1 ZINC000408419079 160104111 /nfs/dbraw/zinc/10/41/11/160104111.db2.gz GQAGAAUSHLSIQM-UTUOFQBUSA-N 0 0 306.366 0.280 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CO[C@@H](C)C1 ZINC000408419611 160104226 /nfs/dbraw/zinc/10/42/26/160104226.db2.gz MLRGVFUOYYXHJM-JQWIXIFHSA-N 0 0 324.402 0.909 10 0 DCAERN CC(C)C1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000408421194 160104309 /nfs/dbraw/zinc/10/43/09/160104309.db2.gz GRUSVCSTFOXARM-UHFFFAOYSA-N 0 0 309.453 0.919 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H](C)[C@@H]3CO)nc2n1 ZINC000408424144 160105031 /nfs/dbraw/zinc/10/50/31/160105031.db2.gz BTYJNOQDFRGTAT-CABZTGNLSA-N 0 0 303.366 0.513 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000408448811 160110041 /nfs/dbraw/zinc/11/00/41/160110041.db2.gz BBOMZDCUMYUVPN-QWHCGFSZSA-N 0 0 313.423 0.466 10 0 DCAERN CN(C(=O)CNC(=O)[C@H]1CCCCC(=O)N1)C1CCCCC1 ZINC000408448484 160110156 /nfs/dbraw/zinc/11/01/56/160110156.db2.gz VQPZQXLDWDJECJ-CYBMUJFWSA-N 0 0 309.410 0.953 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C[C@H]1O ZINC000408446376 160110240 /nfs/dbraw/zinc/11/02/40/160110240.db2.gz KLBGHRRLBMNCSH-MGPQQGTHSA-N 0 0 321.425 0.801 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000408449082 160110412 /nfs/dbraw/zinc/11/04/12/160110412.db2.gz DSCROSRZYMOOAB-IAQYHMDHSA-N 0 0 319.365 0.262 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](CF)C1 ZINC000408463703 160113387 /nfs/dbraw/zinc/11/33/87/160113387.db2.gz CLPAXHVPKCZVBX-NWDGAFQWSA-N 0 0 322.402 0.388 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ccncc2Br)C1 ZINC000408472652 160115223 /nfs/dbraw/zinc/11/52/23/160115223.db2.gz WGAMCXIRIHNFHQ-QMMMGPOBSA-N 0 0 320.212 0.972 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408470427 160115248 /nfs/dbraw/zinc/11/52/48/160115248.db2.gz UVENXMCUPKESJO-YIYPIFLZSA-N 0 0 322.405 0.781 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H]([C@H](C)O)C2)C1 ZINC000408470249 160115903 /nfs/dbraw/zinc/11/59/03/160115903.db2.gz QIDIELYPCZRGKS-IHRRRGAJSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)Oc1nccnc1N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000408473508 160116356 /nfs/dbraw/zinc/11/63/56/160116356.db2.gz OSGCOSXNVUNSQC-OAHLLOKOSA-N 0 0 318.381 0.887 10 0 DCAERN Cn1nccc1CNC(=O)Nc1ccccc1OCCC(N)=O ZINC000047878244 286888667 /nfs/dbraw/zinc/88/86/67/286888667.db2.gz UQWQXGVGJABHRM-UHFFFAOYSA-N 0 0 317.349 0.996 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)NCc1cccnc1N(C)C ZINC000056399547 286898494 /nfs/dbraw/zinc/89/84/94/286898494.db2.gz JATQSRIYFJFEEB-LBPRGKRZSA-N 0 0 319.409 0.958 10 0 DCAERN CCCC(=O)NCC(=O)NCCCc1nnc2n1CCCCC2 ZINC000067176157 286905746 /nfs/dbraw/zinc/90/57/46/286905746.db2.gz RMKCTLUSHCSEDY-UHFFFAOYSA-N 0 0 321.425 0.970 10 0 DCAERN CS(=O)(=O)NCCC(=O)NCCCc1cccc(F)c1 ZINC000068497693 286908814 /nfs/dbraw/zinc/90/88/14/286908814.db2.gz XQGDNUITTOFQMR-UHFFFAOYSA-N 0 0 302.371 0.814 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC000070303097 286910275 /nfs/dbraw/zinc/91/02/75/286910275.db2.gz SCZIRULEMDYCDU-LBPRGKRZSA-N 0 0 313.375 0.548 10 0 DCAERN CCOC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000109227449 286940609 /nfs/dbraw/zinc/94/06/09/286940609.db2.gz VTXPHCKLDYJNMQ-VIFPVBQESA-N 0 0 316.379 0.497 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000106393343 286940776 /nfs/dbraw/zinc/94/07/76/286940776.db2.gz FOUUDYOGLDJZSR-CYBMUJFWSA-N 0 0 313.442 0.454 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000120196116 286950996 /nfs/dbraw/zinc/95/09/96/286950996.db2.gz FJXKNMGTOYTNDG-GXSJLCMTSA-N 0 0 322.365 0.644 10 0 DCAERN CCn1c(C)nnc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000121354564 286954728 /nfs/dbraw/zinc/95/47/28/286954728.db2.gz DNBKXANTACDAOW-UHFFFAOYSA-N 0 0 322.373 0.666 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@@H]1C ZINC000125499257 286967040 /nfs/dbraw/zinc/96/70/40/286967040.db2.gz HJBWVUGKINZAMP-GHMZBOCLSA-N 0 0 314.349 0.858 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)n(C)n1 ZINC000127841674 286979736 /nfs/dbraw/zinc/97/97/36/286979736.db2.gz WUYUUPFCUKKCCX-WDEREUQCSA-N 0 0 323.397 0.775 10 0 DCAERN CC[C@@H]1CCN(C(=O)C(=O)Nc2cc(CCOC)nn2C)C1 ZINC000128164678 286981325 /nfs/dbraw/zinc/98/13/25/286981325.db2.gz QJQNFPNEQKTMBK-LLVKDONJSA-N 0 0 308.382 0.806 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 ZINC000132221596 287004168 /nfs/dbraw/zinc/00/41/68/287004168.db2.gz ONSORMJUWRNLJO-QWRGUYRKSA-N 0 0 322.365 0.239 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cn2)cc1 ZINC000131420233 287000253 /nfs/dbraw/zinc/00/02/53/287000253.db2.gz WCUUVAAVUVVZLH-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN CC(=O)NCCNC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000133779754 287012810 /nfs/dbraw/zinc/01/28/10/287012810.db2.gz RNUXENXXMWTQIA-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCOC1 ZINC000135064662 287019840 /nfs/dbraw/zinc/01/98/40/287019840.db2.gz LJXQDPZVMUGYKJ-YPMHNXCESA-N 0 0 301.346 0.938 10 0 DCAERN Cc1cccc(CCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150743410 287030472 /nfs/dbraw/zinc/03/04/72/287030472.db2.gz SYGMCKZRABORAC-UHFFFAOYSA-N 0 0 301.346 0.964 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000151443620 287033760 /nfs/dbraw/zinc/03/37/60/287033760.db2.gz OTMXULQKGGCABL-UHFFFAOYSA-N 0 0 314.301 0.821 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000152150762 287039071 /nfs/dbraw/zinc/03/90/71/287039071.db2.gz XVIXRFMCYJOBPY-JTQLQIEISA-N 0 0 316.292 0.751 10 0 DCAERN CNC(=O)NCC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000152463731 287041771 /nfs/dbraw/zinc/04/17/71/287041771.db2.gz PJZZHAJCTYFBAR-UHFFFAOYSA-N 0 0 301.350 0.726 10 0 DCAERN CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000173117917 287052858 /nfs/dbraw/zinc/05/28/58/287052858.db2.gz QLEJBNLXHBKKDY-AGIUHOORSA-N 0 0 316.357 0.908 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)C(=O)c1ccc2c(c1)CCC2 ZINC000153326039 287049290 /nfs/dbraw/zinc/04/92/90/287049290.db2.gz ZZQNJVZCNKOABK-LBPRGKRZSA-N 0 0 300.314 0.279 10 0 DCAERN CC(C)c1noc2ncc(C(=O)N[C@H]3CCC(=O)NC3=O)cc21 ZINC000153503481 287050690 /nfs/dbraw/zinc/05/06/90/287050690.db2.gz XSJXGTRJUDGIGE-JTQLQIEISA-N 0 0 316.317 0.881 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000187072333 287058470 /nfs/dbraw/zinc/05/84/70/287058470.db2.gz YZHGRMSTDKEEDT-UHFFFAOYSA-N 0 0 319.337 0.632 10 0 DCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](O)C(C)C)C1 ZINC000227984816 287063325 /nfs/dbraw/zinc/06/33/25/287063325.db2.gz XAPAJLPGXXCYRV-NWDGAFQWSA-N 0 0 322.427 0.113 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cn[nH]c1 ZINC000229960109 287063981 /nfs/dbraw/zinc/06/39/81/287063981.db2.gz NHYYFBZNRRYTGQ-UWVGGRQHSA-N 0 0 300.384 0.259 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)[C@H](C)CO1 ZINC000245566951 287070989 /nfs/dbraw/zinc/07/09/89/287070989.db2.gz FGPLXCQBDMUXBD-UTUOFQBUSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)[C@@H](C)CO1 ZINC000245566949 287071033 /nfs/dbraw/zinc/07/10/33/287071033.db2.gz FGPLXCQBDMUXBD-QJPTWQEYSA-N 0 0 306.428 0.576 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245673914 287072045 /nfs/dbraw/zinc/07/20/45/287072045.db2.gz PYVJKWPYNIQUEN-GHMZBOCLSA-N 0 0 312.457 0.376 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(CC)CC)CCN1C[C@H](C)O ZINC000246087478 287076612 /nfs/dbraw/zinc/07/66/12/287076612.db2.gz IXKUOSAZYBCESS-STQMWFEESA-N 0 0 307.460 0.350 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246478496 287084049 /nfs/dbraw/zinc/08/40/49/287084049.db2.gz WOLXLIMVRWAMDV-ZJUUUORDSA-N 0 0 316.427 0.481 10 0 DCAERN COc1c(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(C)nn1C ZINC000246904752 287089069 /nfs/dbraw/zinc/08/90/69/287089069.db2.gz XYAFNBLPVPNKRM-MNOVXSKESA-N 0 0 310.398 0.264 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000247219226 287092033 /nfs/dbraw/zinc/09/20/33/287092033.db2.gz BRISZDHSKRFBLX-WUHRBBMRSA-N 0 0 306.428 0.840 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)on1 ZINC000247234852 287092392 /nfs/dbraw/zinc/09/23/92/287092392.db2.gz XZVJRRVLLADNBD-NXEZZACHSA-N 0 0 301.368 0.429 10 0 DCAERN CCN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000248246391 287096295 /nfs/dbraw/zinc/09/62/95/287096295.db2.gz JSIIYWYGCZOWET-AVGNSLFASA-N 0 0 318.439 0.131 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCN1C[C@@H](C)O ZINC000248670795 287099517 /nfs/dbraw/zinc/09/95/17/287099517.db2.gz BDBBAQMWOOVEFH-MGPQQGTHSA-N 0 0 319.471 0.493 10 0 DCAERN CCC[C@@H]1C[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000248534583 287098300 /nfs/dbraw/zinc/09/83/00/287098300.db2.gz GFUBJICOGPMIHT-JHJVBQTASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000248832660 287101998 /nfs/dbraw/zinc/10/19/98/287101998.db2.gz BVAVJBSFKUWOSS-HZSPNIEDSA-N 0 0 310.394 0.509 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CCN1CCOC ZINC000248891859 287103176 /nfs/dbraw/zinc/10/31/76/287103176.db2.gz FXQUHZGQYIIMFP-BFHYXJOUSA-N 0 0 320.455 0.536 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000249007532 287105227 /nfs/dbraw/zinc/10/52/27/287105227.db2.gz ZRTCGJGGZCQZCS-YNEHKIRRSA-N 0 0 318.439 0.732 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H]1CCCCC(=O)N1 ZINC000248686833 287099935 /nfs/dbraw/zinc/09/99/35/287099935.db2.gz UXOVKVBFUOIJTJ-QWHCGFSZSA-N 0 0 317.393 0.620 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)cc1C ZINC000249470358 287111461 /nfs/dbraw/zinc/11/14/61/287111461.db2.gz RVIOKGGLKBFKKG-AWEZNQCLSA-N 0 0 312.435 0.991 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CCN1C[C@@H](C)O ZINC000173762341 287203762 /nfs/dbraw/zinc/20/37/62/287203762.db2.gz LZMATWSQUTXMFL-MGPQQGTHSA-N 0 0 320.455 0.130 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC000363880023 287219541 /nfs/dbraw/zinc/21/95/41/287219541.db2.gz RNKALAMIUYBTTC-WFASDCNBSA-N 0 0 310.398 0.165 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC000408355430 287233879 /nfs/dbraw/zinc/23/38/79/287233879.db2.gz MWIBXZPAZKIWDP-OPQQBVKSSA-N 0 0 303.380 0.221 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129396233 196044915 /nfs/dbraw/zinc/04/49/15/196044915.db2.gz WDTNMNPHQROBHB-SECBINFHSA-N 0 0 303.388 0.046 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000176486238 298835520 /nfs/dbraw/zinc/83/55/20/298835520.db2.gz FRLQOLXEAKHBNN-SNVBAGLBSA-N 0 0 314.411 0.301 10 0 DCAERN O=C(c1noc2ncnc(N3CCCC3)c21)N1CCOCC1 ZINC000020993737 415153229 /nfs/dbraw/zinc/15/32/29/415153229.db2.gz GTPUYQHRTZNYEA-UHFFFAOYSA-N 0 0 303.322 0.690 10 0 DCAERN COc1ccc(CNC(=O)CN(C)CC(=O)NC2CC2)cc1 ZINC000007925919 415143239 /nfs/dbraw/zinc/14/32/39/415143239.db2.gz SOQOFIWBCGCMOS-UHFFFAOYSA-N 0 0 305.378 0.522 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)N1CCOCC1 ZINC000029957759 415177118 /nfs/dbraw/zinc/17/71/18/415177118.db2.gz RTORUIOCOMRFPX-LBPRGKRZSA-N 0 0 320.393 0.305 10 0 DCAERN CC(C)[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000025976948 415166292 /nfs/dbraw/zinc/16/62/92/415166292.db2.gz APGVANMZCWLTNG-SSDOTTSWSA-N 0 0 318.171 0.460 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1coc(-c2cccs2)n1 ZINC000042848677 415209592 /nfs/dbraw/zinc/20/95/92/415209592.db2.gz HUSIWGUSLKFRKW-QMMMGPOBSA-N 0 0 320.330 0.617 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC(=O)OCC ZINC000044569962 415223112 /nfs/dbraw/zinc/22/31/12/415223112.db2.gz QSUXYJPKIDZJTF-NSHDSACASA-N 0 0 320.411 0.260 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000065581332 415355489 /nfs/dbraw/zinc/35/54/89/415355489.db2.gz UKWJUYYBHQZYAV-JTQLQIEISA-N 0 0 300.403 0.587 10 0 DCAERN C[C@H](Nc1cccc(CO)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000073622800 415423042 /nfs/dbraw/zinc/42/30/42/415423042.db2.gz XFYGHKVCLHDHIQ-NSHDSACASA-N 0 0 305.378 0.716 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1COCCO1 ZINC000067201435 415374599 /nfs/dbraw/zinc/37/45/99/415374599.db2.gz HJHFXXXHVKHPHM-KGLIPLIRSA-N 0 0 306.362 0.218 10 0 DCAERN Cc1ccnc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000275572050 415375689 /nfs/dbraw/zinc/37/56/89/415375689.db2.gz IWCQCYKMWUZBME-GFCCVEGCSA-N 0 0 300.366 0.960 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCC(=O)NCC2CC2)cc1 ZINC000278839970 415495942 /nfs/dbraw/zinc/49/59/42/415495942.db2.gz RLFDOGYRRWPOTP-UHFFFAOYSA-N 0 0 303.362 0.925 10 0 DCAERN CC[C@@H](NC(=O)CNC(=O)c1ccc(F)c(F)c1)C(=O)OC ZINC000084410757 415495847 /nfs/dbraw/zinc/49/58/47/415495847.db2.gz ACKWJMXWYHCMAJ-LLVKDONJSA-N 0 0 314.288 0.762 10 0 DCAERN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000332866385 415496824 /nfs/dbraw/zinc/49/68/24/415496824.db2.gz IZVFYEPAQJHRSJ-NTZNESFSSA-N 0 0 315.439 0.298 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC000276213319 415450030 /nfs/dbraw/zinc/45/00/30/415450030.db2.gz CIHBCSITCOGXEE-JKOKRWQUSA-N 0 0 304.346 0.799 10 0 DCAERN C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1cccn1 ZINC000077222750 415460012 /nfs/dbraw/zinc/46/00/12/415460012.db2.gz DUXSDHRCIYSPPA-GFCCVEGCSA-N 0 0 313.361 0.979 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@@H]21 ZINC000332760267 415464794 /nfs/dbraw/zinc/46/47/94/415464794.db2.gz QEFJKWHWPQUVEG-RWMBFGLXSA-N 0 0 320.397 0.228 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332757545 415466471 /nfs/dbraw/zinc/46/64/71/415466471.db2.gz PZCOKDUEZOJMCL-LXTVHRRPSA-N 0 0 311.426 0.075 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332797392 415476737 /nfs/dbraw/zinc/47/67/37/415476737.db2.gz RJQLFWUFDGVWJG-XJFOESAGSA-N 0 0 323.397 0.721 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCC1(C)C ZINC000087293830 415514435 /nfs/dbraw/zinc/51/44/35/415514435.db2.gz AGWGBLUZUIHSGI-JTQLQIEISA-N 0 0 314.411 0.488 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)NCC1CC(O)C1 ZINC000091424577 415537047 /nfs/dbraw/zinc/53/70/47/415537047.db2.gz KTUFMTUXPFZIHW-UHFFFAOYSA-N 0 0 315.167 0.498 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCCN1CCOCC1 ZINC000091532826 415537218 /nfs/dbraw/zinc/53/72/18/415537218.db2.gz GKPNHFPUWFCTMT-UHFFFAOYSA-N 0 0 323.441 0.601 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000333074193 415547972 /nfs/dbraw/zinc/54/79/72/415547972.db2.gz VNRIHVPVMJEISR-HRCADAONSA-N 0 0 324.421 0.918 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@]12CCOC2 ZINC000333121812 415563317 /nfs/dbraw/zinc/56/33/17/415563317.db2.gz GQPMDFMHMWQFMD-XJFOESAGSA-N 0 0 301.408 0.996 10 0 DCAERN CN1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000333169187 415574407 /nfs/dbraw/zinc/57/44/07/415574407.db2.gz PJMMKTAGWJKRBT-AGIUHOORSA-N 0 0 307.394 0.372 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000104361042 415623776 /nfs/dbraw/zinc/62/37/76/415623776.db2.gz NEMKXCYMINAEHZ-YPMHNXCESA-N 0 0 309.410 0.808 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104790074 415626399 /nfs/dbraw/zinc/62/63/99/415626399.db2.gz WBDUHMYYWFPTLJ-CYBMUJFWSA-N 0 0 314.430 0.265 10 0 DCAERN CN1CCN(C)[C@H](CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333192568 415579585 /nfs/dbraw/zinc/57/95/85/415579585.db2.gz SLZSCTXFXRUQCL-RQJABVFESA-N 0 0 301.456 0.340 10 0 DCAERN COc1cnc(NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)nc1 ZINC000333217979 415584484 /nfs/dbraw/zinc/58/44/84/415584484.db2.gz VISCDIDARKMDJQ-NEPJUHHUSA-N 0 0 308.338 0.897 10 0 DCAERN Cn1cc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cn1 ZINC000097152771 415586133 /nfs/dbraw/zinc/58/61/33/415586133.db2.gz PURORTOHYCCVKH-ZDUSSCGKSA-N 0 0 301.350 0.316 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)n1 ZINC000333511034 415670564 /nfs/dbraw/zinc/67/05/64/415670564.db2.gz JDFYIMDTSYIXRA-ZIBATOQPSA-N 0 0 321.381 0.128 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699813 415672925 /nfs/dbraw/zinc/67/29/25/415672925.db2.gz NQYVOAGTNHGVBT-SNVBAGLBSA-N 0 0 316.379 0.829 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000107900331 415676812 /nfs/dbraw/zinc/67/68/12/415676812.db2.gz JXUFQDQCEVLRBN-JTQLQIEISA-N 0 0 317.798 0.775 10 0 DCAERN Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)n(C)n1 ZINC000333546677 415677754 /nfs/dbraw/zinc/67/77/54/415677754.db2.gz OQWNBVQLGMMELC-HFAKWTLXSA-N 0 0 321.381 0.046 10 0 DCAERN CNC(=O)NC(=O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814821 415683185 /nfs/dbraw/zinc/68/31/85/415683185.db2.gz ZAQJDZLYVBQMMV-GFCCVEGCSA-N 0 0 304.350 0.179 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)C1 ZINC000333611932 415695823 /nfs/dbraw/zinc/69/58/23/415695823.db2.gz FAELZLGZMULETP-CHWSQXEVSA-N 0 0 315.439 0.898 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)NC[C@H](O)C2CC2)C1 ZINC000333722598 415724869 /nfs/dbraw/zinc/72/48/69/415724869.db2.gz ODYWHLIFNVDJHB-OLZOCXBDSA-N 0 0 307.398 0.459 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)NC3CCOCC3)CCO2)c1 ZINC000112108513 415705002 /nfs/dbraw/zinc/70/50/02/415705002.db2.gz UMXPBPBEWLYVAU-AWEZNQCLSA-N 0 0 308.382 0.781 10 0 DCAERN Cc1noc(CCNc2cc(N3CCC[C@H]3CO)ncn2)n1 ZINC000112077866 415705471 /nfs/dbraw/zinc/70/54/71/415705471.db2.gz VRBXKKXOFXZLEA-NSHDSACASA-N 0 0 304.354 0.784 10 0 DCAERN CC(C)(NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)C(N)=O ZINC000112194864 415709946 /nfs/dbraw/zinc/70/99/46/415709946.db2.gz LLVKJGMUNRZAGG-LLVKDONJSA-N 0 0 311.288 0.838 10 0 DCAERN CCC(CC)[C@@H](O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000119129488 415741361 /nfs/dbraw/zinc/74/13/61/415741361.db2.gz WZRHLZSTRVJDPA-LOWVWBTDSA-N 0 0 308.444 0.727 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCNc1ccccn1 ZINC000119290318 415739050 /nfs/dbraw/zinc/73/90/50/415739050.db2.gz KYRXBWZEHDDAHN-UHFFFAOYSA-N 0 0 301.350 0.751 10 0 DCAERN CC[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000333896291 415761693 /nfs/dbraw/zinc/76/16/93/415761693.db2.gz ROSNUAFSOABGAN-MXWKQRLJSA-N 0 0 305.400 0.016 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)CNC(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000119980189 415755357 /nfs/dbraw/zinc/75/53/57/415755357.db2.gz LHAFGACOIXKYDM-ZWNOBZJWSA-N 0 0 324.768 0.396 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000122652741 415835792 /nfs/dbraw/zinc/83/57/92/415835792.db2.gz OHCGJBHIVFTLEO-LLVKDONJSA-N 0 0 316.760 0.902 10 0 DCAERN CC[N@@H+]1CC[C@H]2OCCN(c3ncnc4c3cnn4C)[C@H]2C1 ZINC000292637645 415848334 /nfs/dbraw/zinc/84/83/34/415848334.db2.gz APWCURVNQDZFDI-QWHCGFSZSA-N 0 0 302.382 0.663 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000121014256 415790557 /nfs/dbraw/zinc/79/05/57/415790557.db2.gz DTIIHCHJSPFCSZ-SNVBAGLBSA-N 0 0 300.405 0.867 10 0 DCAERN C[C@H](NC(=O)CCc1ccnn1C)C(=O)NCc1ccco1 ZINC000121224048 415796254 /nfs/dbraw/zinc/79/62/54/415796254.db2.gz IEWWEYKXPCCLIF-NSHDSACASA-N 0 0 304.350 0.767 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCCC[C@H]2c2nc[nH]n2)C1=O ZINC000121784346 415817158 /nfs/dbraw/zinc/81/71/58/415817158.db2.gz JYVIJIYTGIZGNC-JTQLQIEISA-N 0 0 306.370 0.662 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121970273 415821844 /nfs/dbraw/zinc/82/18/44/415821844.db2.gz OTDOLCGNEPBZTL-ZJUUUORDSA-N 0 0 314.363 0.043 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](NCc1nccn1C)C(F)(F)F ZINC000336834308 415826046 /nfs/dbraw/zinc/82/60/46/415826046.db2.gz HUCMUVCADKDGHK-MRVPVSSYSA-N 0 0 314.333 0.332 10 0 DCAERN CCC[C@](C)(O)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000126348879 415874029 /nfs/dbraw/zinc/87/40/29/415874029.db2.gz OSOBSHMQWYQQTF-HNNXBMFYSA-N 0 0 318.381 0.324 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccsc2)C(C)(C)C1 ZINC000126739036 415878635 /nfs/dbraw/zinc/87/86/35/415878635.db2.gz GYRPKJGVHJDWHD-UHFFFAOYSA-N 0 0 323.418 0.947 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1=O ZINC000295073921 415879895 /nfs/dbraw/zinc/87/98/95/415879895.db2.gz YWVQJIJIEMIXNG-ABAIWWIYSA-N 0 0 305.334 0.270 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H](CO)Cc1ccccc1 ZINC000124761023 415852458 /nfs/dbraw/zinc/85/24/58/415852458.db2.gz HLACQHXUMJKNQD-OAHLLOKOSA-N 0 0 319.405 0.902 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000133372240 415943799 /nfs/dbraw/zinc/94/37/99/415943799.db2.gz HXDZJPOOVTUDCI-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000133650567 415948739 /nfs/dbraw/zinc/94/87/39/415948739.db2.gz MDBUOOYUDBUHEA-UHFFFAOYSA-N 0 0 315.395 0.738 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134290917 415955510 /nfs/dbraw/zinc/95/55/10/415955510.db2.gz PQIUSGHHBFADNL-SNVBAGLBSA-N 0 0 304.350 0.485 10 0 DCAERN CC(=O)CCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000337393488 415955838 /nfs/dbraw/zinc/95/58/38/415955838.db2.gz IHHIMJMLXRYYCD-LBPRGKRZSA-N 0 0 306.366 0.397 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CC1(C)OCCO1 ZINC000150890351 415962708 /nfs/dbraw/zinc/96/27/08/415962708.db2.gz QJFZZAOSFJAUBC-VXGBXAGGSA-N 0 0 323.397 0.681 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CCS1(=O)=O ZINC000151542769 415963959 /nfs/dbraw/zinc/96/39/59/415963959.db2.gz FGRJXHAJOLEMOR-FDYHWXHSSA-N 0 0 316.423 0.773 10 0 DCAERN COCCNC(=O)CNC(=O)Cc1c(Cl)cccc1OC ZINC000152873381 415971295 /nfs/dbraw/zinc/97/12/95/415971295.db2.gz VPXLPQYXSJFIRV-UHFFFAOYSA-N 0 0 314.769 0.770 10 0 DCAERN CCc1noc2ncc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc12 ZINC000153471026 415981244 /nfs/dbraw/zinc/98/12/44/415981244.db2.gz BQNUYQGCQGCQBS-SNVBAGLBSA-N 0 0 302.290 0.320 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153556473 415982014 /nfs/dbraw/zinc/98/20/14/415982014.db2.gz WCYKQCGHTPCOBN-GJZGRUSLSA-N 0 0 324.446 0.853 10 0 DCAERN O=C1CNC(=O)N1CCCOc1ccccc1-c1nc[nH]n1 ZINC000153546678 415983053 /nfs/dbraw/zinc/98/30/53/415983053.db2.gz VFNVIQUZXRUSSM-UHFFFAOYSA-N 0 0 301.306 0.792 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000153839795 415987697 /nfs/dbraw/zinc/98/76/97/415987697.db2.gz KWNCTGAYMDHAAF-UHFFFAOYSA-N 0 0 316.361 0.285 10 0 DCAERN COCCOc1cccc(CN2CCO[C@@H](C)[C@H]2C(N)=O)c1 ZINC000344826070 415993477 /nfs/dbraw/zinc/99/34/77/415993477.db2.gz KLZZFTZEZVSLJI-WFASDCNBSA-N 0 0 308.378 0.786 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000155265814 415996082 /nfs/dbraw/zinc/99/60/82/415996082.db2.gz XYOZHAAOMKHWQV-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN CC[C@@]1(C)C[C@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000131802248 415931194 /nfs/dbraw/zinc/93/11/94/415931194.db2.gz TUXZGPRNYFYGAO-LRDDRELGSA-N 0 0 309.410 0.618 10 0 DCAERN CC(=O)NC1(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000132896131 415939157 /nfs/dbraw/zinc/93/91/57/415939157.db2.gz YNGCCNPHOJLTHH-OLZOCXBDSA-N 0 0 309.410 0.986 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NC/C=C/c1ccccc1 ZINC000171853705 416041827 /nfs/dbraw/zinc/04/18/27/416041827.db2.gz MJICMYJBAYHCAV-RMKNXTFCSA-N 0 0 311.407 0.938 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000172352600 416045127 /nfs/dbraw/zinc/04/51/27/416045127.db2.gz LAUUJJWZCMRVTH-JSGCOSHPSA-N 0 0 324.425 0.160 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172436312 416046246 /nfs/dbraw/zinc/04/62/46/416046246.db2.gz YJYVZSICKQEBDU-NEPJUHHUSA-N 0 0 318.439 0.608 10 0 DCAERN CN1CCN(C(=O)NCCOc2ccc(F)cc2F)CC1=O ZINC000172622896 416048009 /nfs/dbraw/zinc/04/80/09/416048009.db2.gz VMEWSCDZSFNVFS-UHFFFAOYSA-N 0 0 313.304 0.827 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CN3CCCCC3=O)CCO2)[nH]1 ZINC000173520894 416060877 /nfs/dbraw/zinc/06/08/77/416060877.db2.gz CNQDTYGTUOEYPG-NSHDSACASA-N 0 0 307.354 0.026 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)C1 ZINC000173546404 416060911 /nfs/dbraw/zinc/06/09/11/416060911.db2.gz HJULVDALQUNPQO-OLZOCXBDSA-N 0 0 321.381 0.272 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173669859 416061546 /nfs/dbraw/zinc/06/15/46/416061546.db2.gz XKRYYFYFNPBGJI-ZDUSSCGKSA-N 0 0 307.398 0.889 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)COc2ccc(F)cc2F)C1 ZINC000345213514 416061706 /nfs/dbraw/zinc/06/17/06/416061706.db2.gz AACAMLYFNFPLED-QWRGUYRKSA-N 0 0 301.289 0.952 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)CCN3CCOCC3)C2=O)n(C)n1 ZINC000173643693 416062673 /nfs/dbraw/zinc/06/26/73/416062673.db2.gz JRQLVWWTOTYEDI-AWEZNQCLSA-N 0 0 321.425 0.098 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173792937 416065283 /nfs/dbraw/zinc/06/52/83/416065283.db2.gz SPZNQDHURHUVOR-CYBMUJFWSA-N 0 0 308.382 0.908 10 0 DCAERN CCN(CC(C)(C)O)S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC ZINC000300174431 416072846 /nfs/dbraw/zinc/07/28/46/416072846.db2.gz TURPIYWXKUFKLK-GHMZBOCLSA-N 0 0 307.412 0.751 10 0 DCAERN Cc1cc(C(=O)NCc2cscn2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000174400212 416078292 /nfs/dbraw/zinc/07/82/92/416078292.db2.gz JFNFFNIWUOYGTN-UHFFFAOYSA-N 0 0 317.330 0.719 10 0 DCAERN COc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1C(N)=O ZINC000158859968 416003863 /nfs/dbraw/zinc/00/38/63/416003863.db2.gz DQYCGXQKPAZHND-LLVKDONJSA-N 0 0 316.379 0.089 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000158772174 416003938 /nfs/dbraw/zinc/00/39/38/416003938.db2.gz BTWGSKOYQKTJSD-NXEZZACHSA-N 0 0 303.380 0.999 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000159077291 416006956 /nfs/dbraw/zinc/00/69/56/416006956.db2.gz YFMTUVANCKEBOG-ZDUSSCGKSA-N 0 0 310.350 0.641 10 0 DCAERN NC(=O)c1nccnc1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000357008972 416020086 /nfs/dbraw/zinc/02/00/86/416020086.db2.gz VJCPDDQVMRCMSZ-UHFFFAOYSA-N 0 0 323.259 0.502 10 0 DCAERN COCCN(C)S(=O)(=O)N(C)CCc1ncc(C)s1 ZINC000167374575 416022319 /nfs/dbraw/zinc/02/23/19/416022319.db2.gz ZIHIKKUQIBRASH-UHFFFAOYSA-N 0 0 307.441 0.749 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000170705312 416031134 /nfs/dbraw/zinc/03/11/34/416031134.db2.gz DQAPHJAAKKBPMJ-ONGXEEELSA-N 0 0 304.350 0.903 10 0 DCAERN Cn1cc(NC(=O)NCC(=O)Nc2cccnc2)ccc1=O ZINC000171172061 416038916 /nfs/dbraw/zinc/03/89/16/416038916.db2.gz RNYZIKPDEAABEP-UHFFFAOYSA-N 0 0 301.306 0.541 10 0 DCAERN Cc1ccc2ncnc(N3CCN(S(N)(=O)=O)CC3)c2c1 ZINC000301364829 416082523 /nfs/dbraw/zinc/08/25/23/416082523.db2.gz RSEJLGKLUYDACJ-UHFFFAOYSA-N 0 0 307.379 0.264 10 0 DCAERN NS(=O)(=O)c1cccnc1NC[C@H](CO)Cc1ccccn1 ZINC000301588798 416086998 /nfs/dbraw/zinc/08/69/98/416086998.db2.gz WWUNTUIRJMSFBO-LLVKDONJSA-N 0 0 322.390 0.387 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H](C(=O)NC)C(C)C)sc2n1 ZINC000301798483 416092876 /nfs/dbraw/zinc/09/28/76/416092876.db2.gz UVDMJXZDZGJUDL-JTQLQIEISA-N 0 0 309.395 0.896 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(CC(F)F)C1CC1 ZINC000175006325 416093669 /nfs/dbraw/zinc/09/36/69/416093669.db2.gz AYGVYDOGJKMOHZ-UHFFFAOYSA-N 0 0 300.327 0.456 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000175162798 416097358 /nfs/dbraw/zinc/09/73/58/416097358.db2.gz JNRNKMULFUBEBW-WDEREUQCSA-N 0 0 303.428 0.549 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCOC(C)C)CC2 ZINC000175116641 416097494 /nfs/dbraw/zinc/09/74/94/416097494.db2.gz MJEIDGLRSKKOEA-NSHDSACASA-N 0 0 316.427 0.500 10 0 DCAERN COc1ccnc(N2CCN([C@@H](C)C(=O)N(C)C(C)C)CC2)n1 ZINC000175184056 416099882 /nfs/dbraw/zinc/09/98/82/416099882.db2.gz DRFGZVCDYOBTOG-ZDUSSCGKSA-N 0 0 321.425 0.863 10 0 DCAERN Cc1nc2ccccc2n1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000357588119 416100893 /nfs/dbraw/zinc/10/08/93/416100893.db2.gz XTCDXLJBKCGBNT-AWEZNQCLSA-N 0 0 316.361 0.448 10 0 DCAERN CO[C@H]1C[C@H](CO)N(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000345495773 416103754 /nfs/dbraw/zinc/10/37/54/416103754.db2.gz VWKFCYYMVYXIAK-KGLIPLIRSA-N 0 0 305.378 1.125 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000345492237 416103970 /nfs/dbraw/zinc/10/39/70/416103970.db2.gz WBJYIKHDAIJWDU-RYUDHWBXSA-N 0 0 303.318 0.958 10 0 DCAERN NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000175434597 416105931 /nfs/dbraw/zinc/10/59/31/416105931.db2.gz PRZWHLLDHCHGGY-NSHDSACASA-N 0 0 309.391 0.273 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCC[C@](O)(CO)C1 ZINC000313620593 416108132 /nfs/dbraw/zinc/10/81/32/416108132.db2.gz FBTPRSGHNQXNLR-MRXNPFEDSA-N 0 0 306.362 0.647 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCC(=O)c2ccccc2)[C@@H](C)C1 ZINC000357635918 416109264 /nfs/dbraw/zinc/10/92/64/416109264.db2.gz PJZOCPPIUVLBBV-ZDUSSCGKSA-N 0 0 317.389 0.538 10 0 DCAERN Cc1cccc(CNC(=O)N(C)C[C@H](O)CN2CCOCC2)n1 ZINC000175699031 416112901 /nfs/dbraw/zinc/11/29/01/416112901.db2.gz BIGIWKVOJZDCDK-HNNXBMFYSA-N 0 0 322.409 0.225 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000357678304 416114258 /nfs/dbraw/zinc/11/42/58/416114258.db2.gz YPALJHRTZYWJJI-VHSXEESVSA-N 0 0 307.416 0.133 10 0 DCAERN O=C(CCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)NC1CC1 ZINC000175958066 416115481 /nfs/dbraw/zinc/11/54/81/416115481.db2.gz POVUVXSVCRRVOP-LBPRGKRZSA-N 0 0 323.315 0.754 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000176147581 416120642 /nfs/dbraw/zinc/12/06/42/416120642.db2.gz CMZHSMCREXEADF-UHFFFAOYSA-N 0 0 305.378 0.515 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c[nH]1 ZINC000357720322 416120931 /nfs/dbraw/zinc/12/09/31/416120931.db2.gz GLAKIDFMXRCFHK-IUCAKERBSA-N 0 0 314.363 0.449 10 0 DCAERN COCCNC(=O)Cn1cc(N[C@@H](C(=O)OC)C2CC2)cn1 ZINC000357945256 416156472 /nfs/dbraw/zinc/15/64/72/416156472.db2.gz WFUGSWANFYNJEI-CYBMUJFWSA-N 0 0 310.354 0.009 10 0 DCAERN NS(=O)(=O)CCNC(=O)NCCc1cc(F)ccc1F ZINC000176233146 416122701 /nfs/dbraw/zinc/12/27/01/416122701.db2.gz WWESPWHYOQVKRA-UHFFFAOYSA-N 0 0 307.322 0.095 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@H]1CN(Cc2cnc(Cl)s2)C[C@H]1O ZINC000328603656 416123133 /nfs/dbraw/zinc/12/31/33/416123133.db2.gz GUUFHICZXVTQGJ-DTWKUNHWSA-N 0 0 305.787 0.358 10 0 DCAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)Cn1ccccc1=O ZINC000328617634 416123797 /nfs/dbraw/zinc/12/37/97/416123797.db2.gz CYDFZIBIHYELPW-CYBMUJFWSA-N 0 0 300.362 0.766 10 0 DCAERN COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176414105 416125195 /nfs/dbraw/zinc/12/51/95/416125195.db2.gz WCWSNGGCLAKHLE-GFCCVEGCSA-N 0 0 310.402 0.381 10 0 DCAERN O=C([C@H]1CCCn2ccnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000176459464 416125276 /nfs/dbraw/zinc/12/52/76/416125276.db2.gz SLGQMWDZEFLNGB-KGLIPLIRSA-N 0 0 304.394 0.694 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000357741198 416125421 /nfs/dbraw/zinc/12/54/21/416125421.db2.gz UXLXDZIJBKQKOI-LLVKDONJSA-N 0 0 321.425 0.842 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C)C1 ZINC000357940122 416156642 /nfs/dbraw/zinc/15/66/42/416156642.db2.gz QZLDNAYYYHGOKD-YPMHNXCESA-N 0 0 309.410 0.713 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000176575876 416129821 /nfs/dbraw/zinc/12/98/21/416129821.db2.gz PBAHAXZPXBORCT-GWNMQOMSSA-N 0 0 301.416 0.806 10 0 DCAERN Cc1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c(C)n1 ZINC000176572694 416130173 /nfs/dbraw/zinc/13/01/73/416130173.db2.gz LFRHLDCOKINSIC-AWEZNQCLSA-N 0 0 307.394 0.464 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000176662559 416131793 /nfs/dbraw/zinc/13/17/93/416131793.db2.gz DSQBHHAJQNTSIV-KBPBESRZSA-N 0 0 314.345 0.616 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)[C@@H](C)CO)CC1 ZINC000338754460 416135082 /nfs/dbraw/zinc/13/50/82/416135082.db2.gz XNWPAAGUBHSLHL-NSHDSACASA-N 0 0 321.443 0.211 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@@H](C)C1 ZINC000357943788 416156950 /nfs/dbraw/zinc/15/69/50/416156950.db2.gz VPLCWANUYSTFJO-GXTWGEPZSA-N 0 0 321.421 0.857 10 0 DCAERN COCCCOC1CN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000176913061 416138058 /nfs/dbraw/zinc/13/80/58/416138058.db2.gz OVQBRDWSDKHTPH-LLVKDONJSA-N 0 0 310.350 0.662 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000328918283 416138523 /nfs/dbraw/zinc/13/85/23/416138523.db2.gz AFDNULWKPWOHTB-SJHCENCUSA-N 0 0 306.366 0.529 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOCC(F)(F)F)[C@@H](C)C1 ZINC000357824270 416138647 /nfs/dbraw/zinc/13/86/47/416138647.db2.gz DGRZDUAPEIXBNR-VIFPVBQESA-N 0 0 311.304 0.828 10 0 DCAERN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267462 416144106 /nfs/dbraw/zinc/14/41/06/416144106.db2.gz CGVJJUDUZYUURO-JSGCOSHPSA-N 0 0 317.393 0.175 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000177531406 416148220 /nfs/dbraw/zinc/14/82/20/416148220.db2.gz NDZVSGNCLAJSJR-QWRGUYRKSA-N 0 0 307.350 0.023 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CCO1 ZINC000357891480 416148848 /nfs/dbraw/zinc/14/88/48/416148848.db2.gz JIOAWZBXKDDLHV-KCXAZCMYSA-N 0 0 318.373 0.832 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000177649807 416149564 /nfs/dbraw/zinc/14/95/64/416149564.db2.gz ZXCBZLDREDDCIX-CYBMUJFWSA-N 0 0 323.441 0.670 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000177630068 416150319 /nfs/dbraw/zinc/15/03/19/416150319.db2.gz QUYDZMLYLCHAMX-NSHDSACASA-N 0 0 317.324 0.795 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000301375254 416081057 /nfs/dbraw/zinc/08/10/57/416081057.db2.gz VJVQKDHFAJQKTH-UHFFFAOYSA-N 0 0 314.345 0.997 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178539752 416166414 /nfs/dbraw/zinc/16/64/14/416166414.db2.gz PAXIRXXCCJEZIA-CJNGLKHVSA-N 0 0 324.340 0.271 10 0 DCAERN C[C@H](CNC(=O)C(=O)N1CCC12CCC2)CN1CCOCC1 ZINC000357998669 416169274 /nfs/dbraw/zinc/16/92/74/416169274.db2.gz XTIHQPJJIRGQAK-CYBMUJFWSA-N 0 0 309.410 0.226 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)C(C)C ZINC000178674011 416169433 /nfs/dbraw/zinc/16/94/33/416169433.db2.gz GAJNJWVONDRGBR-HNNXBMFYSA-N 0 0 315.377 0.832 10 0 DCAERN COC[C@@H](C)N(C)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000178783076 416172553 /nfs/dbraw/zinc/17/25/53/416172553.db2.gz YIJXEARZTFGRJT-LLVKDONJSA-N 0 0 317.411 0.890 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)cc1F ZINC000178959124 416179291 /nfs/dbraw/zinc/17/92/91/416179291.db2.gz WREDGRHVRPPAST-LLVKDONJSA-N 0 0 324.331 0.019 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1cc(CCOC)nn1C)C(C)C ZINC000178969415 416179465 /nfs/dbraw/zinc/17/94/65/416179465.db2.gz ACWRSXLPJCDBFD-GFCCVEGCSA-N 0 0 311.386 0.501 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1c(F)cccc1F ZINC000178965850 416179813 /nfs/dbraw/zinc/17/98/13/416179813.db2.gz OLCBPIXCAUXXOG-SNVBAGLBSA-N 0 0 324.331 0.019 10 0 DCAERN Cc1cc(C)nc(SCC(=O)NC[C@@H]2CN3CCN2CC3)n1 ZINC000178969039 416179934 /nfs/dbraw/zinc/17/99/34/416179934.db2.gz SQJIGGOYLLECCL-CYBMUJFWSA-N 0 0 321.450 0.302 10 0 DCAERN O=c1nc(CN2C[C@@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169516 416182147 /nfs/dbraw/zinc/18/21/47/416182147.db2.gz CGNXZEAFTBSPLQ-BDAKNGLRSA-N 0 0 321.402 0.401 10 0 DCAERN COc1c(C)cc(CN(C)C(=O)Cn2ncn(C)c2=O)cc1C ZINC000179470460 416189768 /nfs/dbraw/zinc/18/97/68/416189768.db2.gz RPEQNMBFNSPGAQ-UHFFFAOYSA-N 0 0 318.377 0.866 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)s1 ZINC000358113937 416193717 /nfs/dbraw/zinc/19/37/17/416193717.db2.gz QBSPIKOKAZBYPL-SECBINFHSA-N 0 0 312.395 0.579 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000330294560 416200902 /nfs/dbraw/zinc/20/09/02/416200902.db2.gz IQFQSNQCSJXWLM-HZNYWTHISA-N 0 0 318.464 0.667 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC000181143989 416203722 /nfs/dbraw/zinc/20/37/22/416203722.db2.gz CCQSMVNVHRJROL-FFSVYQOJSA-N 0 0 314.426 0.565 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181172250 416203806 /nfs/dbraw/zinc/20/38/06/416203806.db2.gz AHHNLNAVEUMLTD-JTQLQIEISA-N 0 0 300.384 0.683 10 0 DCAERN COCCCOCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000181126278 416204824 /nfs/dbraw/zinc/20/48/24/416204824.db2.gz LPFBNXULGJLKOU-UONOGXRCSA-N 0 0 300.399 0.219 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NCCN1CC=C(C)CC1 ZINC000358186445 416207604 /nfs/dbraw/zinc/20/76/04/416207604.db2.gz JCFVIMSNNTYYAH-ZDUSSCGKSA-N 0 0 317.455 0.761 10 0 DCAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000182170358 416212974 /nfs/dbraw/zinc/21/29/74/416212974.db2.gz KMYARBRENVYJGP-ADEWGFFLSA-N 0 0 302.334 0.589 10 0 DCAERN O=C(N[C@H]1CCC[C@@H]1O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182547763 416226556 /nfs/dbraw/zinc/22/65/56/416226556.db2.gz RFNWPJIFYJRGCJ-MJBXVCDLSA-N 0 0 318.377 0.790 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)NC[C@@H](CO)C1CC1 ZINC000358461782 416241082 /nfs/dbraw/zinc/24/10/82/416241082.db2.gz FPLJVMQREPXPQP-LBPRGKRZSA-N 0 0 307.398 0.822 10 0 DCAERN CN(Cc1nnn(Cc2ncccn2)n1)C(=O)c1ccccc1 ZINC000358512785 416247568 /nfs/dbraw/zinc/24/75/68/416247568.db2.gz ICALQAMISHVGMF-UHFFFAOYSA-N 0 0 309.333 0.784 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@H](C)[C@@H]2C(N)=O)CC1 ZINC000348857639 416248462 /nfs/dbraw/zinc/24/84/62/416248462.db2.gz CLYJLBJKTKTXQL-HBIQZDMRSA-N 0 0 312.366 0.067 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C12CCOCC2 ZINC000187042683 416258682 /nfs/dbraw/zinc/25/86/82/416258682.db2.gz GXEBHGJULNLVPK-OLZOCXBDSA-N 0 0 321.377 0.484 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)NC(=O)NC3CC3)CC2)n[nH]1 ZINC000187169151 416260081 /nfs/dbraw/zinc/26/00/81/416260081.db2.gz IVJDGXZOKHUQDU-NSHDSACASA-N 0 0 320.397 0.217 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ncoc1C ZINC000331100520 416263714 /nfs/dbraw/zinc/26/37/14/416263714.db2.gz OKFGONQXFJUOLP-ONGXEEELSA-N 0 0 302.352 0.744 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1ncoc1C ZINC000331100517 416263965 /nfs/dbraw/zinc/26/39/65/416263965.db2.gz OKFGONQXFJUOLP-GXSJLCMTSA-N 0 0 302.352 0.744 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H](C)[C@H]2CO)cc1 ZINC000189462888 416266475 /nfs/dbraw/zinc/26/64/75/416266475.db2.gz VGUMITKULFUWPI-SMDDNHRTSA-N 0 0 306.362 0.654 10 0 DCAERN NC(=O)c1coc(CNC(=O)C(=O)Nc2ccc(F)cc2F)c1 ZINC000189643734 416267444 /nfs/dbraw/zinc/26/74/44/416267444.db2.gz YYLZHGGVTVWHCI-UHFFFAOYSA-N 0 0 323.255 0.912 10 0 DCAERN CN(CC(=O)NC[C@@H]1CCC(C)(C)O1)c1ncnc2nc[nH]c21 ZINC000189606112 416267973 /nfs/dbraw/zinc/26/79/73/416267973.db2.gz UPMXLFNFGMOZCV-JTQLQIEISA-N 0 0 318.381 0.863 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000189720175 416269414 /nfs/dbraw/zinc/26/94/14/416269414.db2.gz CNZHVOGOKLGDPB-QWRGUYRKSA-N 0 0 318.439 0.573 10 0 DCAERN CN1CCCN(C(=O)c2cccnc2N2CCCC2)CC1=O ZINC000189817385 416272165 /nfs/dbraw/zinc/27/21/65/416272165.db2.gz AXTZFNMIQNGIPR-UHFFFAOYSA-N 0 0 302.378 0.986 10 0 DCAERN O=C(NCc1cccc(CO)c1)c1cc2c(cn1)nc[nH]c2=O ZINC000190227171 416275162 /nfs/dbraw/zinc/27/51/62/416275162.db2.gz YTNVOSYJWPIANS-UHFFFAOYSA-N 0 0 310.313 0.740 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183177529 416236595 /nfs/dbraw/zinc/23/65/95/416236595.db2.gz ONFMNDNVJIRSOB-GFCCVEGCSA-N 0 0 312.395 0.363 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)N3CC(n4ccnn4)C3)ccc21 ZINC000358444857 416237833 /nfs/dbraw/zinc/23/78/33/416237833.db2.gz ARLFUYRFAMUNDH-UHFFFAOYSA-N 0 0 314.305 0.812 10 0 DCAERN CN1CCN(c2cc(C(=O)Nc3cnns3)ccn2)CC1 ZINC000192218288 416300881 /nfs/dbraw/zinc/30/08/81/416300881.db2.gz UUMKSIYNACQMDZ-UHFFFAOYSA-N 0 0 304.379 0.937 10 0 DCAERN CC1(C)Cc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2O1 ZINC000192596015 416308406 /nfs/dbraw/zinc/30/84/06/416308406.db2.gz UYTCARZMJUPXDC-UHFFFAOYSA-N 0 0 310.375 0.521 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCCC(=O)N(C)C)n1 ZINC000192592069 416308742 /nfs/dbraw/zinc/30/87/42/416308742.db2.gz IYHGNCCLQVJCBY-UHFFFAOYSA-N 0 0 312.395 0.800 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCOC[C@H]1C ZINC000192646065 416309171 /nfs/dbraw/zinc/30/91/71/416309171.db2.gz ZTXMWOWAFOSMLS-MCIONIFRSA-N 0 0 314.426 0.953 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1C ZINC000192642584 416309780 /nfs/dbraw/zinc/30/97/80/416309780.db2.gz VCEIZENYWQJFIH-HUUCEWRRSA-N 0 0 320.389 0.235 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)sc1C ZINC000193170041 416312540 /nfs/dbraw/zinc/31/25/40/416312540.db2.gz UQLFDMWMRKDLRG-SNVBAGLBSA-N 0 0 324.406 0.689 10 0 DCAERN C[C@@H](c1ccccc1)[C@H](NC(=O)COc1cnn(C)c1)C(N)=O ZINC000359242639 416315158 /nfs/dbraw/zinc/31/51/58/416315158.db2.gz KFDREJJCCXIRNV-NHYWBVRUSA-N 0 0 316.361 0.573 10 0 DCAERN CCS(=O)(=O)N1CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000190492385 416279454 /nfs/dbraw/zinc/27/94/54/416279454.db2.gz JXBUMGKEBCPUOK-CQSZACIVSA-N 0 0 304.456 0.895 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190987202 416283324 /nfs/dbraw/zinc/28/33/24/416283324.db2.gz CDFXZLOMHKFVQE-SNVBAGLBSA-N 0 0 300.384 0.363 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)COCCCOC)CCO2)cn1 ZINC000191766474 416288108 /nfs/dbraw/zinc/28/81/08/416288108.db2.gz KCPYMEAUEAZZAW-CQSZACIVSA-N 0 0 311.382 0.856 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)C(=O)NCC1CC1 ZINC000191852482 416292029 /nfs/dbraw/zinc/29/20/29/416292029.db2.gz HDBYPPWMJFRNGO-UHFFFAOYSA-N 0 0 322.434 0.928 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000191897246 416292420 /nfs/dbraw/zinc/29/24/20/416292420.db2.gz OQGXEBKJQVRXPI-WCFLWFBJSA-N 0 0 306.366 0.457 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000331239701 416293628 /nfs/dbraw/zinc/29/36/28/416293628.db2.gz OADHOSQRVCCPFW-MRXNPFEDSA-N 0 0 306.362 0.490 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000191982410 416293857 /nfs/dbraw/zinc/29/38/57/416293857.db2.gz HAMKDCYSHKUEGH-NSHDSACASA-N 0 0 305.382 0.567 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192046246 416298261 /nfs/dbraw/zinc/29/82/61/416298261.db2.gz HEXLBAJMTMEFPL-ZYHUDNBSSA-N 0 0 308.382 0.926 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cnns3)C2)c1 ZINC000192044111 416298724 /nfs/dbraw/zinc/29/87/24/416298724.db2.gz PCESHXQNRCWLTJ-SNVBAGLBSA-N 0 0 320.378 0.845 10 0 DCAERN CC1(C)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCO[C@H]21 ZINC000247230160 416332464 /nfs/dbraw/zinc/33/24/64/416332464.db2.gz OTMTYTODTBVAAH-XKAARJIMSA-N 0 0 301.408 0.741 10 0 DCAERN CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236786 416332573 /nfs/dbraw/zinc/33/25/73/416332573.db2.gz XHGUCYAIFWRYQR-CHWSQXEVSA-N 0 0 302.440 0.943 10 0 DCAERN CCOC(=O)c1cnccc1N1CCN(CC(=O)OC)CC1 ZINC000359450877 416346579 /nfs/dbraw/zinc/34/65/79/416346579.db2.gz VKLWWCFJGGWIDY-UHFFFAOYSA-N 0 0 307.350 0.553 10 0 DCAERN Cc1nnc(NCc2cccc(N3CCOCC3)n2)nc1C ZINC000359681052 416353282 /nfs/dbraw/zinc/35/32/82/416353282.db2.gz DGFMWXHDXYHOJE-UHFFFAOYSA-N 0 0 300.366 1.332 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000195662071 416326762 /nfs/dbraw/zinc/32/67/62/416326762.db2.gz CXEALANHKBENBG-RYUDHWBXSA-N 0 0 316.427 0.596 10 0 DCAERN CCc1cnc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)s1 ZINC000360098011 416369720 /nfs/dbraw/zinc/36/97/20/416369720.db2.gz LYWBKVMXRBUPPS-ZJUUUORDSA-N 0 0 311.407 0.551 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000360166489 416376659 /nfs/dbraw/zinc/37/66/59/416376659.db2.gz YLSDGILAUHJKDS-GYSYKLTISA-N 0 0 300.424 0.618 10 0 DCAERN CO[C@@]1(CNC(=O)NC[C@@H](CO)c2ccccc2)CCOC1 ZINC000360465705 416391854 /nfs/dbraw/zinc/39/18/54/416391854.db2.gz FAVNOFTXSWVIOV-GOEBONIOSA-N 0 0 308.378 0.867 10 0 DCAERN CO[C@@](C)(C(=O)N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000360627579 416400674 /nfs/dbraw/zinc/40/06/74/416400674.db2.gz LZCGJIZEBAXHSB-CQSZACIVSA-N 0 0 318.439 0.589 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000360755133 416407963 /nfs/dbraw/zinc/40/79/63/416407963.db2.gz LEBVSWJQZRELJB-UHFFFAOYSA-N 0 0 311.382 0.517 10 0 DCAERN Cc1cc(C)n(CC(=O)NCc2nc(C(F)(F)F)n[nH]2)n1 ZINC000360820334 416412084 /nfs/dbraw/zinc/41/20/84/416412084.db2.gz JFWCDVRLBZIKFI-UHFFFAOYSA-N 0 0 302.260 0.953 10 0 DCAERN C[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)S(C)(=O)=O ZINC000532823069 416460861 /nfs/dbraw/zinc/46/08/61/416460861.db2.gz DVWANMOKNUBIQH-VIFPVBQESA-N 0 0 309.347 0.900 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000361613769 416461913 /nfs/dbraw/zinc/46/19/13/416461913.db2.gz QLAUJXQFZMDNGV-NWDGAFQWSA-N 0 0 318.381 0.023 10 0 DCAERN CS[C@@H]1CCC[C@@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000458390755 416462262 /nfs/dbraw/zinc/46/22/62/416462262.db2.gz HBNXOCPFEVKXQA-GRYCIOLGSA-N 0 0 313.427 0.612 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000361678510 416475104 /nfs/dbraw/zinc/47/51/04/416475104.db2.gz PBTSNKICJVKVJC-UHFFFAOYSA-N 0 0 320.349 0.108 10 0 DCAERN C[C@@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)S(C)(=O)=O ZINC000533130078 416478357 /nfs/dbraw/zinc/47/83/57/416478357.db2.gz ITGBVOGDUFCEMG-JTQLQIEISA-N 0 0 314.411 0.732 10 0 DCAERN CN1CCN(C(=O)NCC[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000583615095 416479101 /nfs/dbraw/zinc/47/91/01/416479101.db2.gz PVXICSCHWCELEX-CHWSQXEVSA-N 0 0 307.398 0.977 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCC(F)(F)[C@@H](CO)C2)n1 ZINC000361717440 416482764 /nfs/dbraw/zinc/48/27/64/416482764.db2.gz PMDJDWXKWDKCLI-SECBINFHSA-N 0 0 317.340 1.515 10 0 DCAERN CCOCc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1 ZINC000361167808 416424059 /nfs/dbraw/zinc/42/40/59/416424059.db2.gz CQWLBJOBTBRVNK-UHFFFAOYSA-N 0 0 305.334 0.420 10 0 DCAERN CC(C)n1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n1 ZINC000361321300 416429258 /nfs/dbraw/zinc/42/92/58/416429258.db2.gz NCKIOQKOXRHBFX-OAHLLOKOSA-N 0 0 304.350 1.015 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000361501748 416442097 /nfs/dbraw/zinc/44/20/97/416442097.db2.gz ANGOVQKNINNAGA-ZIAGYGMSSA-N 0 0 315.373 0.686 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)NCCn2ncnn2)c1 ZINC000361519281 416443034 /nfs/dbraw/zinc/44/30/34/416443034.db2.gz NOKWCDOFNBJUTA-UHFFFAOYSA-N 0 0 303.326 0.478 10 0 DCAERN Cn1nnc(CNC(=O)Nc2cc(C3(C)CCCC3)on2)n1 ZINC000582703405 416457574 /nfs/dbraw/zinc/45/75/74/416457574.db2.gz MJLAAXDUPUDAIP-UHFFFAOYSA-N 0 0 305.342 1.352 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1NC[C@H](O)C(F)F ZINC000435584922 416525299 /nfs/dbraw/zinc/52/52/99/416525299.db2.gz ONGNGXWKYHVWJF-QMMMGPOBSA-N 0 0 309.338 0.806 10 0 DCAERN COc1cc2nc(NC[C@@H](O)C(F)F)nc(N)c2cc1OC ZINC000435598833 416526134 /nfs/dbraw/zinc/52/61/34/416526134.db2.gz TUKAVRCSJGUFSZ-MRVPVSSYSA-N 0 0 314.292 0.689 10 0 DCAERN Cc1cnc(NC[C@H](O)C(F)F)nc1NC[C@@H](O)C(F)F ZINC000435604236 416526298 /nfs/dbraw/zinc/52/62/98/416526298.db2.gz CKFSHADZJDELIB-RQJHMYQMSA-N 0 0 312.267 0.861 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000361947892 416530907 /nfs/dbraw/zinc/53/09/07/416530907.db2.gz VRKFTWDAMHMULC-WDEREUQCSA-N 0 0 308.382 0.759 10 0 DCAERN NC(=O)NC(=O)CCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361985565 416539829 /nfs/dbraw/zinc/53/98/29/416539829.db2.gz MZSXOAJBXGESAO-AWEZNQCLSA-N 0 0 321.377 0.741 10 0 DCAERN Cn1cc([C@H](NC(=O)NC[C@@H](O)C(F)F)C(F)(F)F)cn1 ZINC000436383693 416556500 /nfs/dbraw/zinc/55/65/00/416556500.db2.gz BVGOSIQCWQKECJ-RQJHMYQMSA-N 0 0 316.230 0.949 10 0 DCAERN NC(=O)CN1CCN(C(=O)N[C@@H]2CCC23CCCC3)CC1=O ZINC000458722688 416493977 /nfs/dbraw/zinc/49/39/77/416493977.db2.gz NZGXTFAYFRSTQT-LLVKDONJSA-N 0 0 308.382 0.048 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000534264474 416494778 /nfs/dbraw/zinc/49/47/78/416494778.db2.gz OTSSZTVZICLUAZ-NWDGAFQWSA-N 0 0 322.409 0.437 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@@H]1O ZINC000434836250 416498275 /nfs/dbraw/zinc/49/82/75/416498275.db2.gz LIMBHLZTWKQIPH-MNOVXSKESA-N 0 0 321.377 1.284 10 0 DCAERN CN(CCCO)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000584092178 416499491 /nfs/dbraw/zinc/49/94/91/416499491.db2.gz KFNMEBDRGPFGAI-UHFFFAOYSA-N 0 0 301.368 0.904 10 0 DCAERN O=C(NCCOC[C@@H]1CCCO1)N1CCSC[C@H]1CCO ZINC000538213804 416566039 /nfs/dbraw/zinc/56/60/39/416566039.db2.gz QSIKDWJVSALDJK-OLZOCXBDSA-N 0 0 318.439 0.691 10 0 DCAERN CN(CCCO)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000441632954 416678235 /nfs/dbraw/zinc/67/82/35/416678235.db2.gz IWYBIAOYDJCAQW-GFCCVEGCSA-N 0 0 319.361 0.738 10 0 DCAERN CCOc1ncccc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366083115 416617202 /nfs/dbraw/zinc/61/72/02/416617202.db2.gz JETRVCMEEBQBGL-HNNXBMFYSA-N 0 0 318.333 0.295 10 0 DCAERN CN(C)[C@@]1(C(=O)NCc2cnnn2C)CCOc2ccccc21 ZINC000366475062 416629933 /nfs/dbraw/zinc/62/99/33/416629933.db2.gz PICMIDGEWWUNJT-INIZCTEOSA-N 0 0 315.377 0.671 10 0 DCAERN CCOC(=O)c1cnc(N2CCN3CCOC[C@H]3C2)nc1C ZINC000543483622 416640852 /nfs/dbraw/zinc/64/08/52/416640852.db2.gz UAYUBTGQJOMAMS-GFCCVEGCSA-N 0 0 306.366 0.483 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)CCn2cncn2)(C(=O)OC)C1(C)C ZINC000440846863 416651283 /nfs/dbraw/zinc/65/12/83/416651283.db2.gz UTZAYLXUINMLTJ-IAQYHMDHSA-N 0 0 324.381 0.531 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000545130439 416661908 /nfs/dbraw/zinc/66/19/08/416661908.db2.gz YGRYVZDYLFILOC-LBPRGKRZSA-N 0 0 301.412 0.125 10 0 DCAERN COc1cccc(CCNC(=O)NC2CCC(C(N)=O)CC2)n1 ZINC000441437442 416671635 /nfs/dbraw/zinc/67/16/35/416671635.db2.gz HHCSYYOWCAJPBG-UHFFFAOYSA-N 0 0 320.393 0.976 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)NCCc2cccc(OC)n2)C1 ZINC000441455040 416672360 /nfs/dbraw/zinc/67/23/60/416672360.db2.gz CQKGLODDCFAAJM-GFCCVEGCSA-N 0 0 320.393 0.800 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000443271666 416746182 /nfs/dbraw/zinc/74/61/82/416746182.db2.gz OQMBPVUNUZHFDN-UHFFFAOYSA-N 0 0 300.384 0.615 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC000369296241 416746584 /nfs/dbraw/zinc/74/65/84/416746584.db2.gz APXIKJZTHXUONG-GFCCVEGCSA-N 0 0 314.411 0.040 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H](O)C2)cn1 ZINC000442061566 416685882 /nfs/dbraw/zinc/68/58/82/416685882.db2.gz LHWFFFDGEFOGHS-AAEUAGOBSA-N 0 0 320.393 0.753 10 0 DCAERN CN(CC1(O)CCOCC1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000548736406 416690510 /nfs/dbraw/zinc/69/05/10/416690510.db2.gz KEVGDVOAWRWWCJ-UHFFFAOYSA-N 0 0 311.386 1.038 10 0 DCAERN Cc1c(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)cccc1N(C)C ZINC000442274910 416691109 /nfs/dbraw/zinc/69/11/09/416691109.db2.gz WWOMUFVJJZWQQZ-ZDUSSCGKSA-N 0 0 318.377 0.346 10 0 DCAERN CN(CCCO)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000442359430 416693644 /nfs/dbraw/zinc/69/36/44/416693644.db2.gz DEBJKCJPMDXACP-UHFFFAOYSA-N 0 0 314.407 0.755 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cocn2)CC1 ZINC000614711696 416695965 /nfs/dbraw/zinc/69/59/65/416695965.db2.gz 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/nfs/dbraw/zinc/75/48/83/416754883.db2.gz RCSGVJFFTLCUCH-QWRGUYRKSA-N 0 0 310.350 0.417 10 0 DCAERN CO[C@@H]1CCOc2c(NC(=O)C(=O)N(C)CCCO)cccc21 ZINC000443350928 416755318 /nfs/dbraw/zinc/75/53/18/416755318.db2.gz LHQYPLFIWVIQHV-CYBMUJFWSA-N 0 0 322.361 0.936 10 0 DCAERN CC1=CC[N@H+](CCNC(=O)NCCC2(O)CCOCC2)CC1 ZINC000557997519 416756331 /nfs/dbraw/zinc/75/63/31/416756331.db2.gz WRIBFQMCLLXROY-UHFFFAOYSA-N 0 0 311.426 0.869 10 0 DCAERN CC[C@H]1CN(C(=O)c2cccc3ncnn32)C[C@H](C)S1(=O)=O ZINC000558031600 416758185 /nfs/dbraw/zinc/75/81/85/416758185.db2.gz PMAIBRWFURZJNL-QWRGUYRKSA-N 0 0 322.390 0.767 10 0 DCAERN COC(=O)[C@](C)(O)CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000517054092 416776024 /nfs/dbraw/zinc/77/60/24/416776024.db2.gz SFUSVWOPPNEWRQ-IAQYHMDHSA-N 0 0 324.381 0.160 10 0 DCAERN CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897293 416781939 /nfs/dbraw/zinc/78/19/39/416781939.db2.gz SNPQXMYZTZGHLW-ZIAGYGMSSA-N 0 0 302.440 0.911 10 0 DCAERN NC(=O)CSCC(=O)NCc1ccncc1C(F)(F)F 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CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@H](C)C1 ZINC000623618625 416854213 /nfs/dbraw/zinc/85/42/13/416854213.db2.gz YPRWFGJSYIHJBU-SNVBAGLBSA-N 0 0 313.398 0.043 10 0 DCAERN CO[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCC2)C[C@@H]1OC ZINC000370518688 416896483 /nfs/dbraw/zinc/89/64/83/416896483.db2.gz RCLGVVRHYGZTRY-OKILXGFUSA-N 0 0 312.410 0.504 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ncns2)CC1 ZINC000615803564 416913717 /nfs/dbraw/zinc/91/37/17/416913717.db2.gz AFCNRLPJINUONT-LBPRGKRZSA-N 0 0 323.422 0.588 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)C2(C(N)=O)CC2)n1 ZINC000615852314 416924301 /nfs/dbraw/zinc/92/43/01/416924301.db2.gz LYYQQLKSMZSBLN-UHFFFAOYSA-N 0 0 311.363 0.244 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C[C@@](C)(O)C2CC2)C1=O ZINC000520476451 416965452 /nfs/dbraw/zinc/96/54/52/416965452.db2.gz HJVJPGTXRZXIJC-BLLLJJGKSA-N 0 0 320.393 0.583 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@H]2C[C@@H]2C)C1 ZINC000447694504 417020117 /nfs/dbraw/zinc/02/01/17/417020117.db2.gz 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/nfs/dbraw/zinc/99/09/77/416990977.db2.gz USABOKUMBOTEFV-GWCFXTLKSA-N 0 0 307.379 0.115 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 ZINC000448841899 417102714 /nfs/dbraw/zinc/10/27/14/417102714.db2.gz XGNPKSBZEBSYAO-CYBMUJFWSA-N 0 0 322.434 0.793 10 0 DCAERN Cc1ccc(-c2cc(NC(=O)CN3CCOCC3=O)[nH]n2)o1 ZINC000448377315 417073724 /nfs/dbraw/zinc/07/37/24/417073724.db2.gz UXDIMHIMTJJHAD-UHFFFAOYSA-N 0 0 304.306 0.775 10 0 DCAERN CC(=O)N1CCc2nc3cc([C@H]4CCC[NH2+]C4)[n-]n3c(=O)c2C1 ZINC000616576702 417080003 /nfs/dbraw/zinc/08/00/03/417080003.db2.gz XJVSKBOSOHEUEU-NSHDSACASA-N 0 0 315.377 0.807 10 0 DCAERN CS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616589599 417081483 /nfs/dbraw/zinc/08/14/83/417081483.db2.gz JOLBZRHXWOHZNS-MNFKIPLOSA-N 0 0 320.363 0.889 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccncn1 ZINC000616604820 417083395 /nfs/dbraw/zinc/08/33/95/417083395.db2.gz OVYBYXWKWMHPFJ-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN CC(=O)Nc1ccccc1[C@@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616595246 417085250 /nfs/dbraw/zinc/08/52/50/417085250.db2.gz UKUDWFBKEMGMRM-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CS(=O)(=O)N1CCCO[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616651105 417087714 /nfs/dbraw/zinc/08/77/14/417087714.db2.gz PWDCQRCXWWCMQD-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1COCCN(S(C)(=O)=O)C1 ZINC000616663298 417090411 /nfs/dbraw/zinc/09/04/11/417090411.db2.gz KHQYFLAJTWJUIA-JTQLQIEISA-N 0 0 308.400 0.419 10 0 DCAERN CC(=O)Nc1cccc([C@H]2CCOCCN2S(N)(=O)=O)c1 ZINC000616658757 417090637 /nfs/dbraw/zinc/09/06/37/417090637.db2.gz DPPXTOCACGHJST-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN Nc1cc([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)[nH]n1 ZINC000616663385 417091593 /nfs/dbraw/zinc/09/15/93/417091593.db2.gz LHWXQEPGEMIUIV-NSHDSACASA-N 0 0 322.390 0.797 10 0 DCAERN Nc1ccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)cn1 ZINC000616679617 417093474 /nfs/dbraw/zinc/09/34/74/417093474.db2.gz FWRQUCAMKDWLEH-AWEZNQCLSA-N 0 0 304.375 0.815 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)N(C)CC(N)=O)CC2 ZINC000448703539 417093933 /nfs/dbraw/zinc/09/39/33/417093933.db2.gz BRVWFFPOUHMLAI-UHFFFAOYSA-N 0 0 321.377 0.006 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905826 417107046 /nfs/dbraw/zinc/10/70/46/417107046.db2.gz CVKQKLAJWYSCTA-SNVBAGLBSA-N 0 0 320.315 0.896 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000524580542 417112332 /nfs/dbraw/zinc/11/23/32/417112332.db2.gz XQGLXQHHEPGNHU-YPMHNXCESA-N 0 0 308.378 0.940 10 0 DCAERN CN1CCN(C(=O)c2nscc2Br)CC1=O ZINC000405052824 417121233 /nfs/dbraw/zinc/12/12/33/417121233.db2.gz XEWXSTZKXNLBAX-UHFFFAOYSA-N 0 0 304.169 0.820 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407958647 417128927 /nfs/dbraw/zinc/12/89/27/417128927.db2.gz SEPHUDWCTHOJKQ-CYBMUJFWSA-N 0 0 307.394 0.611 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)[C@]23CCC(=O)N2CCS3)C1 ZINC000525219564 417132629 /nfs/dbraw/zinc/13/26/29/417132629.db2.gz VIKHXFAJMAVPPF-IINYFYTJSA-N 0 0 312.391 0.464 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)C1CS(=O)(=O)C1 ZINC000632512020 417137487 /nfs/dbraw/zinc/13/74/87/417137487.db2.gz CAMXGBGDUTVGOD-UHFFFAOYSA-N 0 0 308.359 0.579 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)nn1C ZINC000408080713 417140755 /nfs/dbraw/zinc/14/07/55/417140755.db2.gz PKDUDAJKTPNZFS-NSHDSACASA-N 0 0 300.366 1.121 10 0 DCAERN C[C@H](NC(=O)CN1CC[C@H](C)[C@H](O)C1)C(=O)N1CCCCC1 ZINC000408089289 417141415 /nfs/dbraw/zinc/14/14/15/417141415.db2.gz JEKUTTZLVSMUMJ-MELADBBJSA-N 0 0 311.426 0.206 10 0 DCAERN CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408240975 417148640 /nfs/dbraw/zinc/14/86/40/417148640.db2.gz GXLXZJSJBOCFKA-MNOVXSKESA-N 0 0 312.457 0.566 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000408255635 417151985 /nfs/dbraw/zinc/15/19/85/417151985.db2.gz SNZBWUYPLKRMIS-UNTZMWQOSA-N 0 0 316.423 0.915 10 0 DCAERN CN(CC(=O)N1CCC[C@]2(CCCOC2)C1)S(C)(=O)=O ZINC000408296589 417152816 /nfs/dbraw/zinc/15/28/16/417152816.db2.gz FBGCQBZHDWZOHU-ZDUSSCGKSA-N 0 0 304.412 0.297 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2(S(C)(=O)=O)CC2)C1 ZINC000408338484 417156877 /nfs/dbraw/zinc/15/68/77/417156877.db2.gz ZVNZJKIGXYOXEG-JTQLQIEISA-N 0 0 310.441 0.130 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617264919 417191213 /nfs/dbraw/zinc/19/12/13/417191213.db2.gz RRNXCFWXKWDUGR-UONOGXRCSA-N 0 0 305.382 0.528 10 0 DCAERN Cn1ccc(CNC(=O)NCCc2cn3c(n2)SCC3)n1 ZINC000527039135 417204364 /nfs/dbraw/zinc/20/43/64/417204364.db2.gz ZPFFXZFWMDWZBU-UHFFFAOYSA-N 0 0 306.395 0.764 10 0 DCAERN COc1ccc(-c2noc(N3CC[C@@H](NC(N)=O)C3)n2)cc1 ZINC000450411281 417224963 /nfs/dbraw/zinc/22/49/63/417224963.db2.gz NIZKFKRLKQOWLU-SNVBAGLBSA-N 0 0 303.322 0.992 10 0 DCAERN CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000525969283 417165243 /nfs/dbraw/zinc/16/52/43/417165243.db2.gz ILLSMCKTCFRVSV-DTWKUNHWSA-N 0 0 314.363 0.719 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)NC[C@]1(OCCO)CCOC1 ZINC000617707860 417232476 /nfs/dbraw/zinc/23/24/76/417232476.db2.gz UDYXTRVOGZMULG-OAHLLOKOSA-N 0 0 301.383 0.666 10 0 DCAERN C[C@@H]1[C@@H](C)CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000569278510 417234216 /nfs/dbraw/zinc/23/42/16/417234216.db2.gz CDYYDDSCACQFMA-DTWKUNHWSA-N 0 0 302.334 0.113 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@H]2CC[C@H](OC)C2)c1 ZINC000569307112 417238774 /nfs/dbraw/zinc/23/87/74/417238774.db2.gz KQYLJVPJMVRPEG-QWRGUYRKSA-N 0 0 314.363 0.714 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)C2CC2)CC1 ZINC000451250789 417323744 /nfs/dbraw/zinc/32/37/44/417323744.db2.gz XVYSZXYUWBECDN-NXEZZACHSA-N 0 0 324.377 0.318 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000451310295 417330445 /nfs/dbraw/zinc/33/04/45/417330445.db2.gz FVYRDWODZOHLPY-NWDGAFQWSA-N 0 0 306.428 0.541 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)C1 ZINC000622081763 417390505 /nfs/dbraw/zinc/39/05/05/417390505.db2.gz CGFAAMDGDOAWKV-JONQDZQNSA-N 0 0 324.421 0.633 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2OC)cn1C ZINC000451878518 417408060 /nfs/dbraw/zinc/40/80/60/417408060.db2.gz NEERZOGGOUDLAR-ZYHUDNBSSA-N 0 0 315.395 0.231 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCCO)c1 ZINC000570632777 417376026 /nfs/dbraw/zinc/37/60/26/417376026.db2.gz JAYIMCWZJBFLPT-UHFFFAOYSA-N 0 0 300.380 0.358 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)C(=O)C2CN(CC(F)F)C2)C1 ZINC000622462637 417448888 /nfs/dbraw/zinc/44/88/88/417448888.db2.gz BYNIBBZLSFQCFB-LLVKDONJSA-N 0 0 303.353 0.510 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cccnc2C)CC12COC2 ZINC000452225816 417460686 /nfs/dbraw/zinc/46/06/86/417460686.db2.gz RBYWDKLFPDDSTN-AWEZNQCLSA-N 0 0 318.373 0.971 10 0 DCAERN CCOC(=O)COCCNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000452693590 417497437 /nfs/dbraw/zinc/49/74/37/417497437.db2.gz AVSLVDGVFWRSNK-LBPRGKRZSA-N 0 0 322.361 0.501 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)NC[C@H](CO)C1CC1 ZINC000453750051 417531289 /nfs/dbraw/zinc/53/12/89/417531289.db2.gz AHKUXPNJXNUBNQ-GFCCVEGCSA-N 0 0 321.377 0.862 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633879021 417506700 /nfs/dbraw/zinc/50/67/00/417506700.db2.gz ULOJAXYQIIJIIC-IYBDPMFKSA-N 0 0 308.378 0.893 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCC(C)(F)F ZINC000454866588 417583711 /nfs/dbraw/zinc/58/37/11/417583711.db2.gz CCZOGHWCWVHWFQ-IUCAKERBSA-N 0 0 323.340 0.787 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccnn2CC)CC12COC2 ZINC000455053503 417592339 /nfs/dbraw/zinc/59/23/39/417592339.db2.gz AQSQVIIALQILOH-NSHDSACASA-N 0 0 322.365 0.946 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@H]1CCOC1 ZINC000439828729 287390425 /nfs/dbraw/zinc/39/04/25/287390425.db2.gz KLHAEJWUCHGIPN-NSHDSACASA-N 0 0 303.318 0.267 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628064628 417566711 /nfs/dbraw/zinc/56/67/11/417566711.db2.gz IJZPYOQEHZRZRM-OUAUKWLOSA-N 0 0 319.423 0.508 10 0 DCAERN O=C([C@H]1COC[C@@H]1c1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000628521216 417627827 /nfs/dbraw/zinc/62/78/27/417627827.db2.gz NSAGVSYTYUWRJW-JONQDZQNSA-N 0 0 305.374 0.476 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC000635379930 417647573 /nfs/dbraw/zinc/64/75/73/417647573.db2.gz CAXPUIIPKCUTTO-UONOGXRCSA-N 0 0 313.361 0.470 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000532068602 417655063 /nfs/dbraw/zinc/65/50/63/417655063.db2.gz WGIMHVGFQXPXJP-LLVKDONJSA-N 0 0 314.349 0.222 10 0 DCAERN CC(=O)CCCC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000628579575 417657337 /nfs/dbraw/zinc/65/73/37/417657337.db2.gz YNDGAJPOVBVFGZ-MRXNPFEDSA-N 0 0 312.410 0.478 10 0 DCAERN CN(C(=O)c1nn(C)cc1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629205845 417757555 /nfs/dbraw/zinc/75/75/55/417757555.db2.gz XZKPVDYVQIYVDX-KNVOCYPGSA-N 0 0 315.171 0.519 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1nscc1Br ZINC000629239618 417766590 /nfs/dbraw/zinc/76/65/90/417766590.db2.gz OVPDBLHWGNULLJ-NKWVEPMBSA-N 0 0 307.169 0.785 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000457400153 417705848 /nfs/dbraw/zinc/70/58/48/417705848.db2.gz ZCOOBRVMWIVQQS-LBPRGKRZSA-N 0 0 311.359 0.699 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@H]2COCCN2C)c(C)nc1C ZINC000628914099 417717540 /nfs/dbraw/zinc/71/75/40/417717540.db2.gz GLLWSXZQGDELGW-ZDUSSCGKSA-N 0 0 305.378 0.961 10 0 DCAERN CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458130882 417723998 /nfs/dbraw/zinc/72/39/98/417723998.db2.gz GAYCLRDWUJCYGD-TZMCWYRMSA-N 0 0 310.398 0.883 10 0 DCAERN CC(C)Oc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccn1 ZINC000458154806 417725378 /nfs/dbraw/zinc/72/53/78/417725378.db2.gz ZPSNDEDDTLVJBK-GFCCVEGCSA-N 0 0 305.338 0.251 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)[C@H]1COc2ccc(Cl)cc21 ZINC000458150003 417725966 /nfs/dbraw/zinc/72/59/66/417725966.db2.gz VMTMEGZLGXCMKV-PWSUYJOCSA-N 0 0 322.752 0.585 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000629070481 417741965 /nfs/dbraw/zinc/74/19/65/417741965.db2.gz VJDCNWDCRRDKTK-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN O=C(N[C@@H]1CCOc2ccccc21)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646585334 417875648 /nfs/dbraw/zinc/87/56/48/417875648.db2.gz DTGDHUVOVDFSHE-RGCMKSIDSA-N 0 0 305.330 0.039 10 0 DCAERN CC(=O)N1CCN(CCNS(=O)(=O)C2(C(C)C)CC2)CC1 ZINC000631745263 417930240 /nfs/dbraw/zinc/93/02/40/417930240.db2.gz CRTRLQJGWOOKNF-UHFFFAOYSA-N 0 0 317.455 0.259 10 0 DCAERN CCNC(=O)[C@H](C)NS(=O)(=O)c1cc2ccccc2n1C ZINC000655467233 418265971 /nfs/dbraw/zinc/26/59/71/418265971.db2.gz LCVCDJXAFFVAIU-JTQLQIEISA-N 0 0 309.391 0.981 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCc2c(C3CC3)cnn2C)C1 ZINC000661804806 418361818 /nfs/dbraw/zinc/36/18/18/418361818.db2.gz OASVZNJHXCDVEL-NWDGAFQWSA-N 0 0 308.382 0.589 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N(CCO)C1CCSCC1 ZINC000452024987 287472276 /nfs/dbraw/zinc/47/22/76/287472276.db2.gz ZZXHIJNBBPQQLS-NSHDSACASA-N 0 0 308.469 0.905 10 0 DCAERN NS(=O)(=O)c1cnn(CC(=O)NCC2CCCCCC2)c1 ZINC000452799353 287486548 /nfs/dbraw/zinc/48/65/48/287486548.db2.gz YIZDBFYAWGGPLU-UHFFFAOYSA-N 0 0 314.411 0.617 10 0 DCAERN O=C(NCCc1ccccc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000458066193 287498054 /nfs/dbraw/zinc/49/80/54/287498054.db2.gz WJABFOQSXWOBSE-GFCCVEGCSA-N 0 0 323.784 0.834 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC000488305605 287549230 /nfs/dbraw/zinc/54/92/30/287549230.db2.gz FHNKYTUHLGOCAC-ZJUUUORDSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1Cc2ccccc21 ZINC000488305145 287548676 /nfs/dbraw/zinc/54/86/76/287548676.db2.gz DTJPARSDWCCFJU-SUNKGSAMSA-N 0 0 318.373 0.899 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000299622337 229271078 /nfs/dbraw/zinc/27/10/78/229271078.db2.gz JMVKUZCDYMMTJW-LERXQTSPSA-N 0 0 301.350 0.624 10 0 DCAERN Cc1cc(C)n(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299741116 229377517 /nfs/dbraw/zinc/37/75/17/229377517.db2.gz CVSCKSKZCBXHCW-NXEZZACHSA-N 0 0 318.299 0.622 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)NCCCN1CCCC1=O ZINC000027480049 261104424 /nfs/dbraw/zinc/10/44/24/261104424.db2.gz NYMPJTACLUGWIV-UHFFFAOYSA-N 0 0 321.352 0.684 10 0 DCAERN COCCCNC(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105921690 261108108 /nfs/dbraw/zinc/10/81/08/261108108.db2.gz ZCAFPDCXIVFBRG-HNNXBMFYSA-N 0 0 324.425 0.353 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922340 261108334 /nfs/dbraw/zinc/10/83/34/261108334.db2.gz AJLLHLYDAYRFGN-GFCCVEGCSA-N 0 0 308.382 0.463 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCOC1 ZINC000179194843 261111725 /nfs/dbraw/zinc/11/17/25/261111725.db2.gz IKNUJIUSHILBNN-MRXNPFEDSA-N 0 0 303.406 0.709 10 0 DCAERN CCCN(C(=O)N[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000180545845 261114117 /nfs/dbraw/zinc/11/41/17/261114117.db2.gz JHASKVZKFXQWBZ-NEPJUHHUSA-N 0 0 304.412 0.774 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCC(F)(F)CO)c1ccccc1 ZINC000183935536 261117553 /nfs/dbraw/zinc/11/75/53/261117553.db2.gz SGNDIZOAYYKJGR-GFCCVEGCSA-N 0 0 300.305 0.998 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cc(-n3cccn3)ccn2)c1 ZINC000186674833 261121001 /nfs/dbraw/zinc/12/10/01/261121001.db2.gz ZHIJVMOIXQQABH-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2cc(C(N)=O)co2)C1 ZINC000188252115 261125734 /nfs/dbraw/zinc/12/57/34/261125734.db2.gz PHYVEBNNOYRPLP-VIFPVBQESA-N 0 0 301.368 0.445 10 0 DCAERN COCCN1CCCN(C(=O)NCCCn2ccnc2)CC1=O ZINC000188408011 261126930 /nfs/dbraw/zinc/12/69/30/261126930.db2.gz IWFFJFVEETUAKV-UHFFFAOYSA-N 0 0 323.397 0.164 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000188442136 261127800 /nfs/dbraw/zinc/12/78/00/261127800.db2.gz DYIVLUGWLZEMFV-LLVKDONJSA-N 0 0 314.345 0.086 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCN(C)C(=O)[C@@H]3C)no2)c1 ZINC000188464926 261127905 /nfs/dbraw/zinc/12/79/05/261127905.db2.gz DNMXAEKUAYFPJX-NSHDSACASA-N 0 0 317.349 0.531 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000188451181 261128089 /nfs/dbraw/zinc/12/80/89/261128089.db2.gz KMIAHRVMVMNLIL-LBPRGKRZSA-N 0 0 313.357 0.691 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000188546427 261128417 /nfs/dbraw/zinc/12/84/17/261128417.db2.gz PBJVWDMENSOIKT-VIFPVBQESA-N 0 0 310.375 0.519 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCOCC(F)F)CC1 ZINC000190279131 261134418 /nfs/dbraw/zinc/13/44/18/261134418.db2.gz PMLMJDMLCVARDJ-NSHDSACASA-N 0 0 309.357 0.366 10 0 DCAERN C[C@@H](C(=O)Nc1cn(Cc2ccccc2)nn1)S(C)(=O)=O ZINC000191279954 261136292 /nfs/dbraw/zinc/13/62/92/261136292.db2.gz IWSXGLDEPVOPBK-JTQLQIEISA-N 0 0 308.363 0.698 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H](CO)O1 ZINC000191866255 261138279 /nfs/dbraw/zinc/13/82/79/261138279.db2.gz JXFVXFKHOOVGLZ-GXFFZTMASA-N 0 0 303.318 0.958 10 0 DCAERN Cc1cc(COCC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)on1 ZINC000193639779 261143230 /nfs/dbraw/zinc/14/32/30/261143230.db2.gz DPKMFIRMWHAMSU-QWRGUYRKSA-N 0 0 318.395 0.780 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCCC(=O)N(C)C ZINC000193856762 261144079 /nfs/dbraw/zinc/14/40/79/261144079.db2.gz RBJLDLVNMUMMAI-UHFFFAOYSA-N 0 0 309.414 0.747 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCCC(=O)N(C)C ZINC000193894252 261144141 /nfs/dbraw/zinc/14/41/41/261144141.db2.gz CBAXGXKPDDTOLE-UHFFFAOYSA-N 0 0 305.378 0.709 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)NCCCN1CCCC1=O ZINC000193882433 261144171 /nfs/dbraw/zinc/14/41/71/261144171.db2.gz MHGGGNKJTDZOEM-LBPRGKRZSA-N 0 0 310.398 0.309 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC1(C)CCCCC1)c2=O ZINC000194853307 261148992 /nfs/dbraw/zinc/14/89/92/261148992.db2.gz JYIDXQMLQILVHD-UHFFFAOYSA-N 0 0 303.366 0.969 10 0 DCAERN O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000194870812 261149506 /nfs/dbraw/zinc/14/95/06/261149506.db2.gz VNTZBEILXKCOJR-SECBINFHSA-N 0 0 317.267 0.775 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C)[C@H](O)C2)CC1 ZINC000221910265 261152736 /nfs/dbraw/zinc/15/27/36/261152736.db2.gz JEFJOLQAZPZREK-WCQYABFASA-N 0 0 318.439 0.277 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCn2ccnc2C1 ZINC000234609746 261154781 /nfs/dbraw/zinc/15/47/81/261154781.db2.gz SNODNBKQSNZXIS-WDEREUQCSA-N 0 0 313.379 0.370 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCN3C(=O)N=NC3C2)cc1 ZINC000354923757 261286932 /nfs/dbraw/zinc/28/69/32/261286932.db2.gz NQOSLDDOCJXDRW-UHFFFAOYSA-N 0 0 315.333 0.641 10 0 DCAERN CC(=O)N(CCC(=O)NC[C@@](C)(O)CO)Cc1ccccc1 ZINC000355340154 261333193 /nfs/dbraw/zinc/33/31/93/261333193.db2.gz NWZFPPCEAFTIKJ-MRXNPFEDSA-N 0 0 308.378 0.285 10 0 DCAERN C[C@H](CNC(=O)CCSc1ccccc1)S(N)(=O)=O ZINC000355668110 261355503 /nfs/dbraw/zinc/35/55/03/261355503.db2.gz QLCRQVYQYWTJSI-SNVBAGLBSA-N 0 0 302.421 0.962 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000355714372 261359032 /nfs/dbraw/zinc/35/90/32/261359032.db2.gz CVTDZDHWIDKUQK-RVMXOQNASA-N 0 0 310.394 0.554 10 0 DCAERN CC(=O)c1cn(CC(=O)[C@H]2Cc3ccccc32)c(=O)n(C)c1=O ZINC000356064108 261387934 /nfs/dbraw/zinc/38/79/34/261387934.db2.gz UXFNPRGLIJSVPS-ZDUSSCGKSA-N 0 0 312.325 0.659 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](O)C(F)F)CC2 ZINC000357142416 261508143 /nfs/dbraw/zinc/50/81/43/261508143.db2.gz OJUMPXJZNFAGDA-IUCAKERBSA-N 0 0 317.340 0.642 10 0 DCAERN COC(=O)c1cc(S(N)(=O)=O)ccc1NCCc1cn[nH]c1 ZINC000357634937 261564413 /nfs/dbraw/zinc/56/44/13/261564413.db2.gz ZIOJIQRXHMBBDR-UHFFFAOYSA-N 0 0 324.362 0.498 10 0 DCAERN O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@H](CO)C1CC1 ZINC000358301679 261656641 /nfs/dbraw/zinc/65/66/41/261656641.db2.gz HCUNPSXAVJNQOR-CYBMUJFWSA-N 0 0 323.368 0.760 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)C2CC2)C1 ZINC000358354174 261660468 /nfs/dbraw/zinc/66/04/68/261660468.db2.gz PAOCQRRRPCENBB-CHWSQXEVSA-N 0 0 318.439 0.183 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)c1cc(-c2cccnc2)on1 ZINC000358527021 261679268 /nfs/dbraw/zinc/67/92/68/261679268.db2.gz GBPZFHDUODOXDK-CQSZACIVSA-N 0 0 305.290 0.390 10 0 DCAERN C[C@H](CS(C)(=O)=O)NCc1cccc(N2CCOCC2)n1 ZINC000360047373 261785787 /nfs/dbraw/zinc/78/57/87/261785787.db2.gz VDIQMWUJSVFNIW-GFCCVEGCSA-N 0 0 313.423 0.441 10 0 DCAERN CN(CCCO)C(=O)C(=O)NCc1cccc(OC(C)(C)C)n1 ZINC000360611371 261853470 /nfs/dbraw/zinc/85/34/70/261853470.db2.gz GFRQFWIUZRRDSN-UHFFFAOYSA-N 0 0 323.393 0.716 10 0 DCAERN CSCC[C@H](NC(=O)Cn1nc(C)cc1C)C(=O)N(C)C ZINC000360793118 261876502 /nfs/dbraw/zinc/87/65/02/261876502.db2.gz CXDWISXFLVXHDK-LBPRGKRZSA-N 0 0 312.439 0.826 10 0 DCAERN COC(=O)[C@@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000361087983 261895136 /nfs/dbraw/zinc/89/51/36/261895136.db2.gz WHPGBPZNSYULSD-ZANVPECISA-N 0 0 312.391 0.936 10 0 DCAERN CN1CCC[C@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1=O ZINC000362093163 261998243 /nfs/dbraw/zinc/99/82/43/261998243.db2.gz IDRIFLQHRRJILL-NWDGAFQWSA-N 0 0 322.340 0.272 10 0 DCAERN CNS(=O)(=O)c1ccc(NC(=O)NCc2ccn(C)n2)nc1 ZINC000362127055 262002305 /nfs/dbraw/zinc/00/23/05/262002305.db2.gz VEBGQTRXPBEFDL-UHFFFAOYSA-N 0 0 324.366 0.045 10 0 DCAERN CCN(C(=O)CN1CCOCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000362232767 262013560 /nfs/dbraw/zinc/01/35/60/262013560.db2.gz CTKLWRHCWGGJGC-CHWSQXEVSA-N 0 0 318.439 0.133 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CCN(C(C)=O)C2)no1 ZINC000362313751 262021657 /nfs/dbraw/zinc/02/16/57/262021657.db2.gz DNQGUWNAJGCBLV-SNVBAGLBSA-N 0 0 323.349 0.681 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)nc1C ZINC000362424538 262033872 /nfs/dbraw/zinc/03/38/72/262033872.db2.gz VHFKHKPDUBUQTG-SSDOTTSWSA-N 0 0 313.379 0.308 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)Cn1nc(C)cc1C ZINC000362461760 262037194 /nfs/dbraw/zinc/03/71/94/262037194.db2.gz YECAJIALIJENIN-ZIAGYGMSSA-N 0 0 311.382 0.437 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1nccs1 ZINC000362477729 262039466 /nfs/dbraw/zinc/03/94/66/262039466.db2.gz XJMZYRLVVHAIJQ-YUMQZZPRSA-N 0 0 314.367 0.721 10 0 DCAERN O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000362661467 262057386 /nfs/dbraw/zinc/05/73/86/262057386.db2.gz FDWYIQQBGIBOAG-VOKTVRLQSA-N 0 0 314.329 0.606 10 0 DCAERN CN1CCC(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000362759345 262068659 /nfs/dbraw/zinc/06/86/59/262068659.db2.gz ZLDXPHTUVJEBOC-AWEZNQCLSA-N 0 0 314.451 0.896 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000362917036 262086835 /nfs/dbraw/zinc/08/68/35/262086835.db2.gz JEXXDAIEIONWQP-SECBINFHSA-N 0 0 314.354 0.894 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000363576351 262121451 /nfs/dbraw/zinc/12/14/51/262121451.db2.gz GOSOGDMEMKHWML-CABNGKKXSA-N 0 0 307.394 0.370 10 0 DCAERN O=C(C[C@@H]1CSCCS1)N1CCN2CCOC[C@@H]2C1 ZINC000363818525 262132049 /nfs/dbraw/zinc/13/20/49/262132049.db2.gz LEQOJOLDUZFIQA-NWDGAFQWSA-N 0 0 302.465 0.768 10 0 DCAERN Cc1nn(CC(=O)N2CCN3CCOC[C@H]3C2)c(C)c1Cl ZINC000363828335 262132939 /nfs/dbraw/zinc/13/29/39/262132939.db2.gz VTDGCGUQSHEMLW-GFCCVEGCSA-N 0 0 312.801 0.696 10 0 DCAERN O=C(Cc1c[nH]c2ncccc12)N1CCN2CCOC[C@H]2C1 ZINC000363826172 262133057 /nfs/dbraw/zinc/13/30/57/262133057.db2.gz SCZBGFUBAXKSFO-CYBMUJFWSA-N 0 0 300.362 0.648 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1CC ZINC000363868431 262134805 /nfs/dbraw/zinc/13/48/05/262134805.db2.gz SAAFVOLWEKJNHS-NSHDSACASA-N 0 0 320.393 0.464 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000363856366 262135338 /nfs/dbraw/zinc/13/53/38/262135338.db2.gz OFRIHCPQUMSWKP-LBPRGKRZSA-N 0 0 321.377 0.575 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363975400 262137465 /nfs/dbraw/zinc/13/74/65/262137465.db2.gz QDQYGBJOEAUOFJ-AAEUAGOBSA-N 0 0 307.398 0.516 10 0 DCAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000374103293 262157780 /nfs/dbraw/zinc/15/77/80/262157780.db2.gz ABEZBCXJNNQODN-MJBXVCDLSA-N 0 0 310.394 0.794 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000374281250 262158353 /nfs/dbraw/zinc/15/83/53/262158353.db2.gz XJQSJEFHXGNGRL-ZDUSSCGKSA-N 0 0 308.382 0.579 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)CCCS(C)(=O)=O ZINC000420695112 262381121 /nfs/dbraw/zinc/38/11/21/262381121.db2.gz DCNYRWHHQIVNMZ-UHFFFAOYSA-N 0 0 313.441 0.298 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](CO)C1CC1 ZINC000358324902 271049909 /nfs/dbraw/zinc/04/99/09/271049909.db2.gz CHMUMSSTKPATMH-OLZOCXBDSA-N 0 0 318.439 0.325 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H](CO)C1CC1 ZINC000358318164 271049962 /nfs/dbraw/zinc/04/99/62/271049962.db2.gz LUUUAXUHBCNQAY-JHJVBQTASA-N 0 0 308.378 0.296 10 0 DCAERN O=C(CNC(=O)NC[C@@H](CO)C1CC1)N1CCc2ccccc21 ZINC000358791912 271073350 /nfs/dbraw/zinc/07/33/50/271073350.db2.gz MQCCNGRASCKJMN-AWEZNQCLSA-N 0 0 317.389 0.893 10 0 DCAERN CN(C)c1noc(CNC(=O)N2CCSC[C@@H]2CCO)n1 ZINC000359010454 271089067 /nfs/dbraw/zinc/08/90/67/271089067.db2.gz PJNNJGXOBOWBHD-VIFPVBQESA-N 0 0 315.399 0.145 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H](CO)C1CCCC1 ZINC000359608804 271131624 /nfs/dbraw/zinc/13/16/24/271131624.db2.gz FPTNQCNACSHDQO-CJNGLKHVSA-N 0 0 308.378 0.267 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1F)NC[C@H](CO)C1CC1 ZINC000359771394 271142149 /nfs/dbraw/zinc/14/21/49/271142149.db2.gz DGOZUPJZHYBKJM-SNVBAGLBSA-N 0 0 312.316 0.829 10 0 DCAERN COC(=O)CCCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000359933371 271148959 /nfs/dbraw/zinc/14/89/59/271148959.db2.gz BXUTVYYLSVSTLF-LBPRGKRZSA-N 0 0 312.366 0.226 10 0 DCAERN O=C(c1c[nH]nc1-c1ccoc1)N1CCN2CCOC[C@H]2C1 ZINC000363763398 271203888 /nfs/dbraw/zinc/20/38/88/271203888.db2.gz GMVDXFKIYSMTKL-GFCCVEGCSA-N 0 0 302.334 0.826 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000434741761 271542724 /nfs/dbraw/zinc/54/27/24/271542724.db2.gz ISAUEWVLMBBTKZ-SCVCMEIPSA-N 0 0 306.366 0.982 10 0 DCAERN CC(C)OC(=O)CCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000436405429 271592843 /nfs/dbraw/zinc/59/28/43/271592843.db2.gz BCIYFYWACZALSA-HNNXBMFYSA-N 0 0 310.350 0.057 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C(N)=O)o2)c1 ZINC000437925265 271626542 /nfs/dbraw/zinc/62/65/42/271626542.db2.gz FYDHMTXHXKKNFZ-UHFFFAOYSA-N 0 0 323.330 0.539 10 0 DCAERN CCO[C@@H]1C[C@@](NCc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000444748661 271743078 /nfs/dbraw/zinc/74/30/78/271743078.db2.gz RAKXSRXMGBRLQJ-IAQYHMDHSA-N 0 0 323.397 0.844 10 0 DCAERN CN(CC1CC1)C(=O)CN1CC(=O)N(CCC(F)(F)F)C1 ZINC000451392526 271897849 /nfs/dbraw/zinc/89/78/49/271897849.db2.gz MIFIRXCXCGJBIV-UHFFFAOYSA-N 0 0 307.316 0.909 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cncc(F)c2)CC12COC2 ZINC000452270286 271913304 /nfs/dbraw/zinc/91/33/04/271913304.db2.gz ZGPDKRUTMNVXHH-GFCCVEGCSA-N 0 0 308.309 0.872 10 0 DCAERN CC(C)c1cccc(OCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458126140 271942585 /nfs/dbraw/zinc/94/25/85/271942585.db2.gz BQBHWYSTYVFLQS-AWEZNQCLSA-N 0 0 318.377 0.958 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458127133 271943876 /nfs/dbraw/zinc/94/38/76/271943876.db2.gz MTPRRBIEAIKWEW-ZDUSSCGKSA-N 0 0 304.350 0.451 10 0 DCAERN Cn1cc(C(=O)NC[C@H](O)Cn2ccnn2)c2cc(F)ccc21 ZINC000458149970 271944686 /nfs/dbraw/zinc/94/46/86/271944686.db2.gz VHCUYKJVNFAUBZ-NSHDSACASA-N 0 0 317.324 0.700 10 0 DCAERN CCOc1nc(C)ccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458153004 271945249 /nfs/dbraw/zinc/94/52/49/271945249.db2.gz YDWHAKWSMJXPQE-NSHDSACASA-N 0 0 305.338 0.171 10 0 DCAERN CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458244322 271947027 /nfs/dbraw/zinc/94/70/27/271947027.db2.gz CVXSAHLNXDWOIK-CABCVRRESA-N 0 0 317.393 0.960 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)NC(C1CCC1)C1CCC1 ZINC000458776797 271973047 /nfs/dbraw/zinc/97/30/47/271973047.db2.gz ODWHHJFYSIHIJX-ZDUSSCGKSA-N 0 0 307.398 0.907 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N(C)CCC(N)=O ZINC000459785683 272008623 /nfs/dbraw/zinc/00/86/23/272008623.db2.gz JJIVBZVDVRKTTQ-UHFFFAOYSA-N 0 0 305.378 0.757 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C)C1 ZINC000459840984 272015809 /nfs/dbraw/zinc/01/58/09/272015809.db2.gz YLNFWGQTYQEUGV-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000471851345 272031799 /nfs/dbraw/zinc/03/17/99/272031799.db2.gz YIJOWRSAWNYYSJ-NWDGAFQWSA-N 0 0 319.427 0.277 10 0 DCAERN O=C(NC[C@H](O)C(F)F)N[C@H]1CCN(c2ccccc2)C1=O ZINC000489235342 272058344 /nfs/dbraw/zinc/05/83/44/272058344.db2.gz UGHWQJXYZBASAS-QWRGUYRKSA-N 0 0 313.304 0.717 10 0 DCAERN CN(C)C(=O)CCNC(=O)NCCCc1nnc2ccccn21 ZINC000489269603 272059336 /nfs/dbraw/zinc/05/93/36/272059336.db2.gz YSUOEKFKDJYWCP-UHFFFAOYSA-N 0 0 318.381 0.439 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](CO)c1cccnc1 ZINC000490074464 272070335 /nfs/dbraw/zinc/07/03/35/272070335.db2.gz JDEKIVWGKFCLST-GJZGRUSLSA-N 0 0 305.378 0.675 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO ZINC000493391713 272185664 /nfs/dbraw/zinc/18/56/64/272185664.db2.gz WPVLNKYJUZDLJS-MNOVXSKESA-N 0 0 321.377 0.741 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000494395050 272221098 /nfs/dbraw/zinc/22/10/98/272221098.db2.gz TVJSIKRRGCCQSO-ZDUSSCGKSA-N 0 0 313.442 0.811 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC[C@@H](C)OC ZINC000494883099 272233205 /nfs/dbraw/zinc/23/32/05/272233205.db2.gz NOGAJVQSXCTZHB-MXWKQRLJSA-N 0 0 317.386 0.167 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000513376012 272399196 /nfs/dbraw/zinc/39/91/96/272399196.db2.gz FTQAONZWYUAUPL-MCIONIFRSA-N 0 0 309.410 0.761 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NCCOCC1CCC1 ZINC000514641370 272401562 /nfs/dbraw/zinc/40/15/62/272401562.db2.gz BQSKSTZPCFDFQQ-UHFFFAOYSA-N 0 0 307.416 0.042 10 0 DCAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529988423 272722582 /nfs/dbraw/zinc/72/25/82/272722582.db2.gz SYPKEIBZMXREBD-UVMAFCGOSA-N 0 0 318.420 0.937 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000530418134 272740758 /nfs/dbraw/zinc/74/07/58/272740758.db2.gz IVSPQTFPARRDQQ-RYUDHWBXSA-N 0 0 312.391 0.560 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC000531616818 272765511 /nfs/dbraw/zinc/76/55/11/272765511.db2.gz APLXAFMKKIIDMN-NSHDSACASA-N 0 0 301.350 0.868 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1CCN1CCCS1(=O)=O ZINC000532704335 272793258 /nfs/dbraw/zinc/79/32/58/272793258.db2.gz MKSIFUNIGHKZCS-LBPRGKRZSA-N 0 0 304.412 0.438 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000530411109 287747639 /nfs/dbraw/zinc/74/76/39/287747639.db2.gz ACYANOYFKXMQHB-RWMBFGLXSA-N 0 0 310.398 0.799 10 0 DCAERN C[C@@H]1CN([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588043 274358959 /nfs/dbraw/zinc/35/89/59/274358959.db2.gz OLMKZJCWGGOELO-CZUORRHYSA-N 0 0 303.406 0.938 10 0 DCAERN COC[C@](C)(O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000531019862 287764746 /nfs/dbraw/zinc/76/47/46/287764746.db2.gz ASTOIJAIUPUYRL-INIZCTEOSA-N 0 0 303.362 0.945 10 0 DCAERN CN(CC(=O)N[C@H]1CCOc2ccccc21)Cc1nnnn1C ZINC000531562674 287781789 /nfs/dbraw/zinc/78/17/89/287781789.db2.gz AYBHUZZPRVWMAA-LBPRGKRZSA-N 0 0 316.365 0.282 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCCc2ccc3c(c2)OCO3)C1 ZINC000535701579 287837021 /nfs/dbraw/zinc/83/70/21/287837021.db2.gz PREGOIKPTIFWJJ-LLVKDONJSA-N 0 0 320.349 0.410 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)CSC[C@H]2CCCCO2)C1 ZINC000535713092 287837381 /nfs/dbraw/zinc/83/73/81/287837381.db2.gz DIBZEKPXBBUIGY-WDEREUQCSA-N 0 0 301.412 0.558 10 0 DCAERN O=C(NCCOC[C@@H]1CCCO1)N1CCSC[C@@H]1CCO ZINC000538213806 287875782 /nfs/dbraw/zinc/87/57/82/287875782.db2.gz QSIKDWJVSALDJK-STQMWFEESA-N 0 0 318.439 0.691 10 0 DCAERN CC(=O)N(CCC(=O)N1CC(=O)N(C)C1)Cc1ccccc1 ZINC000539780333 287894581 /nfs/dbraw/zinc/89/45/81/287894581.db2.gz ITJRLDCNEYIRDQ-UHFFFAOYSA-N 0 0 303.362 0.683 10 0 DCAERN CNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000006750854 277007423 /nfs/dbraw/zinc/00/74/23/277007423.db2.gz ZUDGZCTUNKFTBO-SECBINFHSA-N 0 0 307.379 0.422 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114440475 277028106 /nfs/dbraw/zinc/02/81/06/277028106.db2.gz LHVCCXTYBJFBSK-MRXNPFEDSA-N 0 0 307.394 0.588 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@H]3CCCC[C@H]32)C1 ZINC000364744750 277043991 /nfs/dbraw/zinc/04/39/91/277043991.db2.gz KTBBSDYTZDDPFL-OAGGEKHMSA-N 0 0 323.437 0.757 10 0 DCAERN O=C(CN1CCc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000542684915 287944549 /nfs/dbraw/zinc/94/45/49/287944549.db2.gz JCUPYFRTMHKRBU-OAHLLOKOSA-N 0 0 301.390 0.592 10 0 DCAERN O=C(N[C@@H]1CNC(=O)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000544538096 287976520 /nfs/dbraw/zinc/97/65/20/287976520.db2.gz DFMOHYDCRJWHSK-QWHCGFSZSA-N 0 0 317.345 0.422 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)C1 ZINC000374020845 277980714 /nfs/dbraw/zinc/98/07/14/277980714.db2.gz ZWNZFDSPPOUYHT-BFQNTYOBSA-N 0 0 310.394 0.650 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC[C@H]1CO ZINC000330202410 277997997 /nfs/dbraw/zinc/99/79/97/277997997.db2.gz ZGKFMLPSTBWSOZ-KBPBESRZSA-N 0 0 318.439 0.564 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000247243908 278019535 /nfs/dbraw/zinc/01/95/35/278019535.db2.gz YFVCMFRXGYYCDH-VNQPRFMTSA-N 0 0 323.437 0.424 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000408304145 278020469 /nfs/dbraw/zinc/02/04/69/278020469.db2.gz WSLDYCAPGNZNDE-RDBSUJKOSA-N 0 0 324.425 0.588 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@]23CCOC3)c1 ZINC000545888075 288004476 /nfs/dbraw/zinc/00/44/76/288004476.db2.gz ZFVVUZFUSNNBOF-JSGCOSHPSA-N 0 0 310.375 0.960 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCSC[C@@H]1C1CCC1 ZINC000333096886 278068484 /nfs/dbraw/zinc/06/84/84/278068484.db2.gz BVLYFOLBCTUWTI-BFHYXJOUSA-N 0 0 312.435 0.712 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408176711 278137296 /nfs/dbraw/zinc/13/72/96/278137296.db2.gz GIVKLJCXMKJNNZ-BBRMVZONSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000546141899 288016339 /nfs/dbraw/zinc/01/63/39/288016339.db2.gz DJWYRTBMUBPEMX-IUCAKERBSA-N 0 0 323.378 0.458 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000546731843 288028749 /nfs/dbraw/zinc/02/87/49/288028749.db2.gz ZEBIBQNXFDXKMA-NSHDSACASA-N 0 0 301.412 0.270 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@@H](C(N)=O)O1 ZINC000157353344 288022861 /nfs/dbraw/zinc/02/28/61/288022861.db2.gz GHLHARAFTFBVDS-SCZZXKLOSA-N 0 0 310.375 0.536 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1=O ZINC000407986776 278351126 /nfs/dbraw/zinc/35/11/26/278351126.db2.gz UWXKFQMVOBPDGT-WDEREUQCSA-N 0 0 324.425 0.742 10 0 DCAERN CC1(C)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCO[C@@H]21 ZINC000078162306 278437823 /nfs/dbraw/zinc/43/78/23/278437823.db2.gz OTMTYTODTBVAAH-DJIHRAIXSA-N 0 0 301.408 0.741 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC000194115533 278478961 /nfs/dbraw/zinc/47/89/61/278478961.db2.gz UMMHWSFYRBTRNV-SNVBAGLBSA-N 0 0 304.412 0.375 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCn2ccnc2C1)NC1CCCCC1 ZINC000547630092 288063523 /nfs/dbraw/zinc/06/35/23/288063523.db2.gz JZPOTIQWSSNERE-ZDUSSCGKSA-N 0 0 319.409 0.946 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)Cc2cncn2C)(C(=O)OC)C1(C)C ZINC000547728972 288073236 /nfs/dbraw/zinc/07/32/36/288073236.db2.gz MICVPVXPTLALSS-BLLLJJGKSA-N 0 0 323.393 0.826 10 0 DCAERN O=C(CN1CCOCC1=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000547732748 288073462 /nfs/dbraw/zinc/07/34/62/288073462.db2.gz KVJVNIUUIGNLMR-CYBMUJFWSA-N 0 0 315.373 0.861 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000548059342 288107485 /nfs/dbraw/zinc/10/74/85/288107485.db2.gz WYSAONBJXBOBJV-GXFFZTMASA-N 0 0 320.345 0.604 10 0 DCAERN C[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)[C@@H]1CCCOC1 ZINC000548064078 288108263 /nfs/dbraw/zinc/10/82/63/288108263.db2.gz QRDBIBMNYLIBCU-WOSRLPQWSA-N 0 0 308.378 0.531 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000548089065 288110338 /nfs/dbraw/zinc/11/03/38/288110338.db2.gz SKBQUEXVVBUGEN-LBPRGKRZSA-N 0 0 302.378 0.645 10 0 DCAERN CCC1(CC)CN(c2cncc(C(N)=O)n2)CCS1(=O)=O ZINC000548292147 288128958 /nfs/dbraw/zinc/12/89/58/288128958.db2.gz RMXGWZPGFTVKCY-UHFFFAOYSA-N 0 0 312.395 0.369 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000548389475 288138986 /nfs/dbraw/zinc/13/89/86/288138986.db2.gz UAQZLSCRQKZJRJ-WVZRYYJFSA-N 0 0 320.389 0.673 10 0 DCAERN CN(Cc1cccc(O)c1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000548716609 288170084 /nfs/dbraw/zinc/17/00/84/288170084.db2.gz ORAVTIDQKQKFQS-KRWDZBQOSA-N 0 0 316.357 0.964 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cn1 ZINC000548882528 288184234 /nfs/dbraw/zinc/18/42/34/288184234.db2.gz RMGUSFRYVKYZFA-UHFFFAOYSA-N 0 0 315.333 0.879 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000548892245 288185256 /nfs/dbraw/zinc/18/52/56/288185256.db2.gz ZCCXNEQTPLESJS-NWANDNLSSA-N 0 0 319.409 0.522 10 0 DCAERN Cn1cc(OCC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000549523656 288199645 /nfs/dbraw/zinc/19/96/45/288199645.db2.gz DIULGVLKQUPMDS-IUODEOHRSA-N 0 0 323.393 0.483 10 0 DCAERN CC(C)[C@@H]1N(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000329478200 280055459 /nfs/dbraw/zinc/05/54/59/280055459.db2.gz UVCBLPFECALRMG-MBNYWOFBSA-N 0 0 301.408 0.837 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000262359289 280059034 /nfs/dbraw/zinc/05/90/34/280059034.db2.gz VBINGBORVCLVLB-JMSVASOKSA-N 0 0 320.437 0.989 10 0 DCAERN CC(C)[C@@H]1N(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@]12CCCO2 ZINC000329478202 280059234 /nfs/dbraw/zinc/05/92/34/280059234.db2.gz UVCBLPFECALRMG-OBJOEFQTSA-N 0 0 301.408 0.837 10 0 DCAERN O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000377625876 280228525 /nfs/dbraw/zinc/22/85/25/280228525.db2.gz JRUWDIXATJBYQT-LLVKDONJSA-N 0 0 317.349 0.210 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCCC3(O)CCC3)CC2)n1 ZINC000551656896 288232093 /nfs/dbraw/zinc/23/20/93/288232093.db2.gz WQKNUXLUIDHVKO-UHFFFAOYSA-N 0 0 323.397 0.510 10 0 DCAERN CC(C)[C@H]1N(C(=O)CS(=O)(=O)C2CC2)C[C@@]12CCCO2 ZINC000333084247 280449601 /nfs/dbraw/zinc/44/96/01/280449601.db2.gz MRSOCFKBZTWWKT-KGLIPLIRSA-N 0 0 301.408 0.980 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)n1 ZINC000193377226 280656615 /nfs/dbraw/zinc/65/66/15/280656615.db2.gz IGGSBJJDPFDBNH-QMMMGPOBSA-N 0 0 310.379 0.552 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@H]1CC(=O)N(C)C1)[C@@H]2C ZINC000368465578 280723258 /nfs/dbraw/zinc/72/32/58/280723258.db2.gz LZYRNQOXJNNKPT-MNOVXSKESA-N 0 0 320.397 0.718 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H](C)C2 ZINC000183173743 281112978 /nfs/dbraw/zinc/11/29/78/281112978.db2.gz MFTBITKITUIINR-QPUJVOFHSA-N 0 0 314.345 0.617 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(CC)CC)C[C@@]2(CCOC2)O1 ZINC000408338528 288294561 /nfs/dbraw/zinc/29/45/61/288294561.db2.gz HGAFMSFNHCJPEK-QWHCGFSZSA-N 0 0 306.428 0.843 10 0 DCAERN Cc1cc(CCNC(=O)NCC2(N3CCOCC3)CC2)on1 ZINC000553750830 288306582 /nfs/dbraw/zinc/30/65/82/288306582.db2.gz IGSIKLRZOHNOMO-UHFFFAOYSA-N 0 0 308.382 0.690 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)CC(C)(C)C(=O)OCC)C1 ZINC000553975203 288311783 /nfs/dbraw/zinc/31/17/83/288311783.db2.gz NCGOPOWIIQNNBM-LLVKDONJSA-N 0 0 313.398 0.886 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCc2ncc(C)s2)[nH]n1 ZINC000554342303 288318746 /nfs/dbraw/zinc/31/87/46/288318746.db2.gz HGTFUNRXQMNPRJ-MRVPVSSYSA-N 0 0 321.406 0.847 10 0 DCAERN CN(CCOCCO)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000554558061 288328696 /nfs/dbraw/zinc/32/86/96/288328696.db2.gz CFXPAEYMBSSRQX-UHFFFAOYSA-N 0 0 323.393 0.996 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C)[nH]c1=O)CC2 ZINC000114865612 281526817 /nfs/dbraw/zinc/52/68/17/281526817.db2.gz TVPJTJMSOBEPOC-JTQLQIEISA-N 0 0 301.350 0.582 10 0 DCAERN CS(=O)(=O)CC1(CN2C(=O)CN(C3CCC3)C2=O)CC1 ZINC000555737833 288360986 /nfs/dbraw/zinc/36/09/86/288360986.db2.gz JBHTWYNJVATADZ-UHFFFAOYSA-N 0 0 300.380 0.628 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N2Cc3cccnc3C2)CC1 ZINC000556087903 288369721 /nfs/dbraw/zinc/36/97/21/288369721.db2.gz FWACECAGAGOXOJ-GFCCVEGCSA-N 0 0 302.378 0.476 10 0 DCAERN Cc1c(C(=O)NCc2ccn(C)n2)nnn1Cc1ccncc1 ZINC000560616908 288513465 /nfs/dbraw/zinc/51/34/65/288513465.db2.gz ALKIUPHBBHJZCR-UHFFFAOYSA-N 0 0 311.349 0.693 10 0 DCAERN CN(CCCO)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000562513041 288581558 /nfs/dbraw/zinc/58/15/58/288581558.db2.gz IRAJCYBQBPCBIM-UHFFFAOYSA-N 0 0 320.349 0.585 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@]3(CCSC3)C2)C1 ZINC000563815479 288706502 /nfs/dbraw/zinc/70/65/02/288706502.db2.gz XZFPOQHHLZHRBQ-UKRRQHHQSA-N 0 0 312.435 0.979 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279604072 288934630 /nfs/dbraw/zinc/93/46/30/288934630.db2.gz VXFYWFMNHANKKM-UXEPBGEESA-N 0 0 316.357 0.954 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2c2ncon2)O1 ZINC000329298443 289024227 /nfs/dbraw/zinc/02/42/27/289024227.db2.gz UOGBQLNYRYMKRZ-UTUOFQBUSA-N 0 0 322.365 0.759 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000329588812 289047287 /nfs/dbraw/zinc/04/72/87/289047287.db2.gz SKGOMNIVKXOCPK-DVOMOZLQSA-N 0 0 318.421 0.836 10 0 DCAERN C[C@@]1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CCC(=O)NC1 ZINC000332679467 289144580 /nfs/dbraw/zinc/14/45/80/289144580.db2.gz DGKHILBCANWRQM-MLGOLLRUSA-N 0 0 301.346 0.434 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](C)[C@@H](O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408094737 289297973 /nfs/dbraw/zinc/29/79/73/289297973.db2.gz IRAQVBMGXDXORT-UTUOFQBUSA-N 0 0 323.393 0.469 10 0 DCAERN CN(CC(=O)N1CCCC[C@@H]1c1cnn(C)c1)S(C)(=O)=O ZINC000408022520 289458388 /nfs/dbraw/zinc/45/83/88/289458388.db2.gz UIXJZZURHWZKJX-GFCCVEGCSA-N 0 0 314.411 0.365 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)c2n1 ZINC000074399047 292758396 /nfs/dbraw/zinc/75/83/96/292758396.db2.gz CLPOBBKOFOOWQQ-CYBMUJFWSA-N 0 0 308.363 0.345 10 0 DCAERN CN1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113779 290024574 /nfs/dbraw/zinc/02/45/74/290024574.db2.gz LGZDJFULYPUEOL-GFCCVEGCSA-N 0 0 314.451 0.754 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680024 290076748 /nfs/dbraw/zinc/07/67/48/290076748.db2.gz RYXVVSAMDRBGNG-CYBMUJFWSA-N 0 0 305.378 0.970 10 0 DCAERN CN1C[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110953133 290298603 /nfs/dbraw/zinc/29/86/03/290298603.db2.gz TTZIUSKVKVREGM-KGLIPLIRSA-N 0 0 309.410 0.178 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCc1cccnc1N(C)C)C(C)C ZINC000178441813 290540062 /nfs/dbraw/zinc/54/00/62/290540062.db2.gz VUDDFTZELSHCFT-LBPRGKRZSA-N 0 0 307.398 0.717 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)[nH]1 ZINC000366714934 293417350 /nfs/dbraw/zinc/41/73/50/293417350.db2.gz XZQNRVLLBAAHLF-OPQQBVKSSA-N 0 0 313.361 0.992 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@@H]3CCOC3)[C@@H]2C1 ZINC000407991030 293783652 /nfs/dbraw/zinc/78/36/52/293783652.db2.gz SBYROAXHIFJWHO-SYQHCUMBSA-N 0 0 319.423 0.621 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000328880043 297048689 /nfs/dbraw/zinc/04/86/89/297048689.db2.gz LRQQJYHRSYVHKW-SYQHCUMBSA-N 0 0 318.439 0.984 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780258 294200393 /nfs/dbraw/zinc/20/03/93/294200393.db2.gz HNAZNBYRJAXCGJ-SECBINFHSA-N 0 0 316.155 0.114 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274472945 294556605 /nfs/dbraw/zinc/55/66/05/294556605.db2.gz ZOWKBMPBIIQQCI-CZUORRHYSA-N 0 0 320.393 0.998 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC(C)(C)C2)N(S(C)(=O)=O)C1 ZINC000408270951 294640468 /nfs/dbraw/zinc/64/04/68/294640468.db2.gz YUZPIWJRKRVVBU-WDEREUQCSA-N 0 0 304.412 0.294 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246096431 295119573 /nfs/dbraw/zinc/11/95/73/295119573.db2.gz IYPJYEMGVBVCCA-NRUUGDAUSA-N 0 0 310.300 0.781 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000262032887 295392914 /nfs/dbraw/zinc/39/29/14/295392914.db2.gz SOGFUWFZFQPHBE-OCCSQVGLSA-N 0 0 317.389 0.646 10 0 DCAERN COc1ncccc1C(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000155391870 295463065 /nfs/dbraw/zinc/46/30/65/295463065.db2.gz NMTLTIVOZLTHNQ-NSHDSACASA-N 0 0 304.306 0.995 10 0 DCAERN CS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000074873889 295503428 /nfs/dbraw/zinc/50/34/28/295503428.db2.gz DWQVRANUPVILEX-NEPJUHHUSA-N 0 0 314.411 0.711 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000191916949 295635655 /nfs/dbraw/zinc/63/56/55/295635655.db2.gz UBLFMTOOFJKFTE-QWHCGFSZSA-N 0 0 322.361 0.457 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000408077395 297212063 /nfs/dbraw/zinc/21/20/63/297212063.db2.gz XGPRVSPVVCWPFM-RNJOBUHISA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407958979 297230114 /nfs/dbraw/zinc/23/01/14/297230114.db2.gz SMTWAYCUZXLVAK-VXGBXAGGSA-N 0 0 315.439 0.516 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408450080 297970532 /nfs/dbraw/zinc/97/05/32/297970532.db2.gz INCQGQHUERVMFE-UTUOFQBUSA-N 0 0 320.455 0.522 10 0 DCAERN C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@H](O)[C@@H](O)C1 ZINC000408440585 298072947 /nfs/dbraw/zinc/07/29/47/298072947.db2.gz DHRPOYBDEYZVSC-WXHSDQCUSA-N 0 0 308.403 0.551 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000352093690 298121466 /nfs/dbraw/zinc/12/14/66/298121466.db2.gz SQLBGRWZNCWUQO-UTUOFQBUSA-N 0 0 312.414 0.014 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2c(c1)nnn2C ZINC000408167306 300035285 /nfs/dbraw/zinc/03/52/85/300035285.db2.gz XGRMNPOLZNZXNW-DTWKUNHWSA-N 0 0 302.338 0.089 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C1=NS(=O)(=O)c2ccccc21 ZINC000302047067 300035863 /nfs/dbraw/zinc/03/58/63/300035863.db2.gz YOCXQZRJDWHRDB-VHSXEESVSA-N 0 0 307.375 0.721 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397893 300213284 /nfs/dbraw/zinc/21/32/84/300213284.db2.gz ZREHBTUEIYLSLQ-QWRGUYRKSA-N 0 0 305.444 0.113 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H](C)O1 ZINC000329548900 300282203 /nfs/dbraw/zinc/28/22/03/300282203.db2.gz DZYMYPRQDMNDAE-NNYUYHANSA-N 0 0 317.411 0.391 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS1(=O)=O ZINC000333229262 300285921 /nfs/dbraw/zinc/28/59/21/300285921.db2.gz XWEZHTBBQMFFSP-WHOHXGKFSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC(n3ccnn3)C1)CS2 ZINC000374802087 300859561 /nfs/dbraw/zinc/85/95/61/300859561.db2.gz USABOKUMBOTEFV-MFKMUULPSA-N 0 0 307.379 0.115 10 0 DCAERN Cc1c(C(=O)N2CCNC(=O)[C@@H]2C)cccc1N1CCNC1=O ZINC000173452796 300924029 /nfs/dbraw/zinc/92/40/29/300924029.db2.gz CKJRWQGAOHSTTP-NSHDSACASA-N 0 0 316.361 0.485 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000183740880 301319747 /nfs/dbraw/zinc/31/97/47/301319747.db2.gz WUGKAQLTBSPXHB-IINYFYTJSA-N 0 0 319.336 0.270 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N(CCO)[C@H]1CCCSC1 ZINC000408224742 304749673 /nfs/dbraw/zinc/74/96/73/304749673.db2.gz HZPNAMSSERZELK-NWDGAFQWSA-N 0 0 309.453 0.685 10 0 DCAERN Cc1ccc(C)n1-c1c(C(=O)N2CCNC(=O)CC2)cnn1C ZINC000065901812 301561640 /nfs/dbraw/zinc/56/16/40/301561640.db2.gz XXRJIDUWKYUZER-UHFFFAOYSA-N 0 0 315.377 0.790 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@@]2(CCOC2)C1 ZINC000333134842 304770486 /nfs/dbraw/zinc/77/04/86/304770486.db2.gz IKPDPCSQMAODCL-RQJABVFESA-N 0 0 301.408 0.996 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)n1C ZINC000121519490 302810201 /nfs/dbraw/zinc/81/02/01/302810201.db2.gz IJBODUXTNLWCEY-LLVKDONJSA-N 0 0 309.414 0.581 10 0 DCAERN Cn1cc([C@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cn1 ZINC000408175829 302942431 /nfs/dbraw/zinc/94/24/31/302942431.db2.gz ZKRJBPMAMHHZGJ-OCCSQVGLSA-N 0 0 306.366 0.188 10 0 DCAERN NC(=O)N[C@H]1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024689 303281327 /nfs/dbraw/zinc/28/13/27/303281327.db2.gz FZWOIDMYARNXQI-IUCAKERBSA-N 0 0 308.304 0.282 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000249139966 303904350 /nfs/dbraw/zinc/90/43/50/303904350.db2.gz FLTRDPBDTNXUGP-SYEHKZFSSA-N 0 0 304.350 0.446 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCn4ccnc4C3)C[C@@H]21 ZINC000332753842 332863993 /nfs/dbraw/zinc/86/39/93/332863993.db2.gz INFRJCBCYQCCQV-MELADBBJSA-N 0 0 319.409 0.312 10 0 DCAERN CN(CC(=O)NCCOCC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000574970710 332899237 /nfs/dbraw/zinc/89/92/37/332899237.db2.gz ZRXLBDQQMHQFRY-CYBMUJFWSA-N 0 0 318.439 0.038 10 0 DCAERN CC[C@@H](CCO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186133146 332913713 /nfs/dbraw/zinc/91/37/13/332913713.db2.gz SRPVIEXTBCGYMF-NSHDSACASA-N 0 0 323.397 0.999 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000380115439 332319261 /nfs/dbraw/zinc/31/92/61/332319261.db2.gz JPWNQIMUJUBFBS-UHFFFAOYSA-N 0 0 304.412 0.599 10 0 DCAERN CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000582129560 332607832 /nfs/dbraw/zinc/60/78/32/332607832.db2.gz OKWQCWQGCBHPOK-STQMWFEESA-N 0 0 310.394 0.557 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)COCCOc1ccccc1 ZINC000188956232 333059282 /nfs/dbraw/zinc/05/92/82/333059282.db2.gz JERBGUUUVAMSEO-CYBMUJFWSA-N 0 0 306.362 0.819 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)CCN2CCCS2(=O)=O)O1 ZINC000189613313 333163815 /nfs/dbraw/zinc/16/38/15/333163815.db2.gz FJQIQHGVLQGZFC-NSHDSACASA-N 0 0 304.412 0.486 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@H]1CCc2ncnn2C1 ZINC000332931921 333407727 /nfs/dbraw/zinc/40/77/27/333407727.db2.gz YDVOMMIVJRMXQB-NEPJUHHUSA-N 0 0 315.381 0.351 10 0 DCAERN CCN1CN(C(=O)c2cn(Cc3cccs3)nn2)CC1=O ZINC000190526618 336264716 /nfs/dbraw/zinc/26/47/16/336264716.db2.gz JXLXBXOGBUFDPO-UHFFFAOYSA-N 0 0 305.363 0.650 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)c(C)s1 ZINC000396941097 337242583 /nfs/dbraw/zinc/24/25/83/337242583.db2.gz SYSSKBJPOHXMNS-WDEREUQCSA-N 0 0 305.421 0.729 10 0 DCAERN CC(C)(C)OC(=O)CN[C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC000584605742 337371581 /nfs/dbraw/zinc/37/15/81/337371581.db2.gz PTMNWIQPQPUITJ-VIFPVBQESA-N 0 0 302.371 0.503 10 0 DCAERN NS(=O)(=O)c1cccc(-c2ccccc2O)c1-c1nn[nH]n1 ZINC000584611569 337372186 /nfs/dbraw/zinc/37/21/86/337372186.db2.gz GKXTZZLTSMMLCA-UHFFFAOYSA-N 0 0 317.330 0.887 10 0 DCAERN Nc1ncc(-c2ccccc2Cl)nc1C(=O)NC[C@H](O)CO ZINC000584662036 337378431 /nfs/dbraw/zinc/37/84/31/337378431.db2.gz NQVBEGBTHJTYQX-QMMMGPOBSA-N 0 0 322.752 0.462 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000332950389 337669957 /nfs/dbraw/zinc/66/99/57/337669957.db2.gz VDYMXDVXPDEGQU-VXGBXAGGSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](C3CC3)C1)CC2 ZINC000332981810 338529491 /nfs/dbraw/zinc/52/94/91/338529491.db2.gz ORQGFUKOJBGQCS-STQMWFEESA-N 0 0 305.382 0.722 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@H](CO)[C@H](O)C1)C(C)C ZINC000192636290 341878703 /nfs/dbraw/zinc/87/87/03/341878703.db2.gz LVNMLNWEQONOIB-GUTXKFCHSA-N 0 0 314.426 0.375 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000577246386 341899914 /nfs/dbraw/zinc/89/99/14/341899914.db2.gz BYIBRZCLOGYGFE-ZIAGYGMSSA-N 0 0 322.405 0.842 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000177833428 341938487 /nfs/dbraw/zinc/93/84/87/341938487.db2.gz IPHIZNJODMUUHT-SNVBAGLBSA-N 0 0 318.420 0.587 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188871525 521762210 /nfs/dbraw/zinc/76/22/10/521762210.db2.gz JKQKFMXZNVGPRW-RYUDHWBXSA-N 0 0 305.421 0.732 10 0 DCAERN C[C@H]1CN(c2cncc(C(N)=O)n2)CCN1CC(F)(F)F ZINC000301863477 533985564 /nfs/dbraw/zinc/98/55/64/533985564.db2.gz GNIPLOPSTOLCHC-QMMMGPOBSA-N 0 0 303.288 0.648 10 0 DCAERN CS[C@H](C)CC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328634102 534028501 /nfs/dbraw/zinc/02/85/01/534028501.db2.gz MMUZOHSBGXOAMP-GHMZBOCLSA-N 0 0 303.428 0.822 10 0 DCAERN C[C@H](O)CN(C(=O)c1cnc(-c2cnn(C)c2)s1)[C@@H](C)CO ZINC000189311546 534065661 /nfs/dbraw/zinc/06/56/61/534065661.db2.gz CUOHBWWFFNWVEO-UWVGGRQHSA-N 0 0 324.406 0.747 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000175140125 534217600 /nfs/dbraw/zinc/21/76/00/534217600.db2.gz SGGHVVJIZDULNU-WDEREUQCSA-N 0 0 314.411 0.345 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@H]3Cn3ccnn3)cc21 ZINC000299741459 534351669 /nfs/dbraw/zinc/35/16/69/534351669.db2.gz DZAMBWMYTKKGSL-LBPRGKRZSA-N 0 0 311.349 0.865 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCC1(CCO)CC1 ZINC000190129948 534351618 /nfs/dbraw/zinc/35/16/18/534351618.db2.gz OLVJNMOJUXSXAS-UHFFFAOYSA-N 0 0 305.378 0.878 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCN1CCO ZINC000189004675 534365899 /nfs/dbraw/zinc/36/58/99/534365899.db2.gz SEQCRTOYIXJXQK-SNVBAGLBSA-N 0 0 317.340 0.679 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000133813939 518671267 /nfs/dbraw/zinc/67/12/67/518671267.db2.gz XXQLMVPUXKBQQZ-GFCCVEGCSA-N 0 0 313.357 0.850 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N2CCN(C)C(=O)C2)c1 ZINC000127358155 519455553 /nfs/dbraw/zinc/45/55/53/519455553.db2.gz YGBLNCVBLRHKRX-UHFFFAOYSA-N 0 0 304.350 0.975 10 0 DCAERN Cc1ccoc1C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000328632194 534435403 /nfs/dbraw/zinc/43/54/03/534435403.db2.gz RSOKRNOPLCAIKX-GFCCVEGCSA-N 0 0 323.374 0.933 10 0 DCAERN CC(=O)NC1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000191491979 519647770 /nfs/dbraw/zinc/64/77/70/519647770.db2.gz MHGSAVMLZXCAPY-UHFFFAOYSA-N 0 0 311.288 0.042 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000365938713 519698232 /nfs/dbraw/zinc/69/82/32/519698232.db2.gz XMZFNCONQINSDC-QZKOUSHUSA-N 0 0 321.421 0.807 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116120638 519766489 /nfs/dbraw/zinc/76/64/89/519766489.db2.gz QCUPBCWBFCYPKF-LBPRGKRZSA-N 0 0 313.423 0.807 10 0 DCAERN CC(C)c1nncn1CCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000156193304 519897523 /nfs/dbraw/zinc/89/75/23/519897523.db2.gz XOTNDZCJCHPFCD-LLVKDONJSA-N 0 0 319.365 0.929 10 0 DCAERN NC(=O)[C@H]1COCCN1c1nccc(OCc2ccccc2)n1 ZINC000302147397 534464592 /nfs/dbraw/zinc/46/45/92/534464592.db2.gz LEGLMNCRZTWWJQ-CYBMUJFWSA-N 0 0 314.345 0.746 10 0 DCAERN CCCCN(C)C(=O)C[S@@](=O)C[C@@H](C)CS(C)(=O)=O ZINC000154634550 520380587 /nfs/dbraw/zinc/38/05/87/520380587.db2.gz UOOYMYZHFRNVIK-ADLMAVQZSA-N 0 0 311.469 0.674 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000189666950 520431618 /nfs/dbraw/zinc/43/16/18/520431618.db2.gz SKGQGPSXDCRZBI-NEPJUHHUSA-N 0 0 304.346 0.895 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cccnc2)CCS1(=O)=O ZINC000152939158 520491953 /nfs/dbraw/zinc/49/19/53/520491953.db2.gz AIACCJFTMASGPU-UHFFFAOYSA-N 0 0 304.393 0.279 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158122443 520529934 /nfs/dbraw/zinc/52/99/34/520529934.db2.gz ATUXINJVKZCXLH-JTQLQIEISA-N 0 0 318.361 0.703 10 0 DCAERN NC(=O)c1coc(CNC(=O)CNC(=O)c2ccc(F)cc2)c1 ZINC000190757883 534516155 /nfs/dbraw/zinc/51/61/55/534516155.db2.gz RIQVGVSBVGBLIH-UHFFFAOYSA-N 0 0 319.292 0.564 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@@](O)(C(F)F)C1)C1CCCC1 ZINC000456122138 534518597 /nfs/dbraw/zinc/51/85/97/534518597.db2.gz VXMPRXWPXDWPFQ-RISCZKNCSA-N 0 0 304.337 0.910 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NCCc1nc(C)no1 ZINC000186769223 521261198 /nfs/dbraw/zinc/26/11/98/521261198.db2.gz QZTGPLQSPYPFPM-QMMMGPOBSA-N 0 0 310.276 0.875 10 0 DCAERN CCC(CC)NC(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985711 521586995 /nfs/dbraw/zinc/58/69/95/521586995.db2.gz FUXWFSWFIISZBZ-ZYHUDNBSSA-N 0 0 305.444 0.303 10 0 DCAERN CCC(CC)[C@@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186520735 521608902 /nfs/dbraw/zinc/60/89/02/521608902.db2.gz KHYBSLXSODZMKL-ZDUSSCGKSA-N 0 0 304.350 0.845 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2ccnn2[C@@H](C)C2CC2)CCO1 ZINC000156657708 521761847 /nfs/dbraw/zinc/76/18/47/521761847.db2.gz QVUDXCQZHTVRLP-CMPLNLGQSA-N 0 0 321.381 0.833 10 0 DCAERN CNC(=O)c1ccc(N2CCN(Cc3cc(C)on3)CC2)nn1 ZINC000265979652 521832728 /nfs/dbraw/zinc/83/27/28/521832728.db2.gz FDDPTHUKLUMGPX-UHFFFAOYSA-N 0 0 316.365 0.455 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@@H]1C ZINC000153114683 522509267 /nfs/dbraw/zinc/50/92/67/522509267.db2.gz PHTZYBBBZUWICQ-UWVGGRQHSA-N 0 0 306.370 0.205 10 0 DCAERN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190629722 522990482 /nfs/dbraw/zinc/99/04/82/522990482.db2.gz UVZXORGGVSFNCF-NSHDSACASA-N 0 0 316.354 0.733 10 0 DCAERN COCCCN(CCO)C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000189027720 523242105 /nfs/dbraw/zinc/24/21/05/523242105.db2.gz GSNSBBWSHFBXLJ-UHFFFAOYSA-N 0 0 307.350 0.187 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)c2cnn3c2CCCC3)CCO1 ZINC000128247161 523351176 /nfs/dbraw/zinc/35/11/76/523351176.db2.gz HATMRSLDLVEJTL-NSHDSACASA-N 0 0 307.350 0.624 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1C[C@@H](C)O ZINC000189937061 523427562 /nfs/dbraw/zinc/42/75/62/523427562.db2.gz GFPLQUZEUFQRAN-ZIAGYGMSSA-N 0 0 324.425 0.447 10 0 DCAERN COCCCS(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000124860544 523439377 /nfs/dbraw/zinc/43/93/77/523439377.db2.gz AASVXXIGJILIIZ-UHFFFAOYSA-N 0 0 315.317 0.895 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)CCOC)CCO2)cn1 ZINC000189222414 523466190 /nfs/dbraw/zinc/46/61/90/523466190.db2.gz WDOKUMNZYSRSKB-LBPRGKRZSA-N 0 0 303.384 0.253 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@@H](C)COC)CCO2)cn1 ZINC000189221301 523467260 /nfs/dbraw/zinc/46/72/60/523467260.db2.gz ISBVYCZWRLUOAK-AAEUAGOBSA-N 0 0 317.411 0.641 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CS(=O)(=O)CC)CCO2)cn1 ZINC000191717706 523479445 /nfs/dbraw/zinc/47/94/45/523479445.db2.gz RERVUBIEVZWENA-GFCCVEGCSA-N 0 0 315.395 0.238 10 0 DCAERN COc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000266134632 523669485 /nfs/dbraw/zinc/66/94/85/523669485.db2.gz DRMGOTXKQDKOJC-OCCSQVGLSA-N 0 0 305.378 0.883 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H](O)CC(C)(C)C)C2)C1=O ZINC000365958821 523721502 /nfs/dbraw/zinc/72/15/02/523721502.db2.gz AEBJFXOQPJWAET-BMIGLBTASA-N 0 0 311.382 0.326 10 0 DCAERN CCc1cc(=O)n2nc(N(C)C[C@@H](C)C(=O)OC)sc2n1 ZINC000152805777 523740189 /nfs/dbraw/zinc/74/01/89/523740189.db2.gz MYCHTBUTEUMQND-MRVPVSSYSA-N 0 0 310.379 0.959 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H](C)[C@H]3CN(C)CCO3)sc2n1 ZINC000154811437 523743096 /nfs/dbraw/zinc/74/30/96/523743096.db2.gz LVVKNCJVMOZLBX-MWLCHTKSSA-N 0 0 323.422 0.844 10 0 DCAERN COCCN1CCCN(S(=O)(=O)c2ccco2)CC1=O ZINC000191396032 523822768 /nfs/dbraw/zinc/82/27/68/523822768.db2.gz WSSGROYDIFTHAZ-UHFFFAOYSA-N 0 0 302.352 0.149 10 0 DCAERN CN1CCOc2ccc(NC(=O)N3CCO[C@H](CO)C3)cc21 ZINC000267430278 523954460 /nfs/dbraw/zinc/95/44/60/523954460.db2.gz BYFNXLWXASDXEL-LBPRGKRZSA-N 0 0 307.350 0.740 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCO[C@H](c3nccs3)C2)C1=O ZINC000163824187 523984340 /nfs/dbraw/zinc/98/43/40/523984340.db2.gz XWSUGSFQQQZBFH-UWVGGRQHSA-N 0 0 310.379 0.457 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC[C@H]1C ZINC000190544523 524007561 /nfs/dbraw/zinc/00/75/61/524007561.db2.gz DQJWGXDFPNNSNV-MFKMUULPSA-N 0 0 312.391 0.831 10 0 DCAERN CN1C[C@@H](NC(=O)NCCCNc2ccccn2)CCC1=O ZINC000126990438 524010406 /nfs/dbraw/zinc/01/04/06/524010406.db2.gz KANTVBHHDZJPRL-LBPRGKRZSA-N 0 0 305.382 0.804 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@]2(O)CCc3ccccc32)CCC1=O ZINC000127838412 524023946 /nfs/dbraw/zinc/02/39/46/524023946.db2.gz XVQHWEJADMWESK-CXAGYDPISA-N 0 0 317.389 0.740 10 0 DCAERN CCc1ccc([C@H](C)NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000124417550 524043925 /nfs/dbraw/zinc/04/39/25/524043925.db2.gz IWYYTJDCNIQIDK-NSHDSACASA-N 0 0 305.378 0.631 10 0 DCAERN CNC(=O)C1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000364139270 524050474 /nfs/dbraw/zinc/05/04/74/524050474.db2.gz MMFAXKGGLVDDPH-UHFFFAOYSA-N 0 0 317.345 0.155 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000124359193 524075156 /nfs/dbraw/zinc/07/51/56/524075156.db2.gz CLHXKADBPXICLW-BETUJISGSA-N 0 0 320.389 0.990 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](n2cncn2)C1 ZINC000245833751 524151271 /nfs/dbraw/zinc/15/12/71/524151271.db2.gz UEQKUGOFRZFSCZ-NWDGAFQWSA-N 0 0 322.413 0.928 10 0 DCAERN Cc1ccc(C)c(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150735785 524168257 /nfs/dbraw/zinc/16/82/57/524168257.db2.gz HJHZUHVWTSTULM-UHFFFAOYSA-N 0 0 317.345 0.718 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000247329791 524428388 /nfs/dbraw/zinc/42/83/88/524428388.db2.gz JBOKRPHOCHNKCS-UPJWGTAASA-N 0 0 312.414 0.050 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000194003263 524529042 /nfs/dbraw/zinc/52/90/42/524529042.db2.gz JAOQEKZGCZJLIW-RTXFEEFZSA-N 0 0 305.382 0.791 10 0 DCAERN Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)c(C)c1 ZINC000155745995 524658364 /nfs/dbraw/zinc/65/83/64/524658364.db2.gz QSVKTRWJXHAVDC-YPMHNXCESA-N 0 0 303.362 0.949 10 0 DCAERN Cc1cccc(OC[C@@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000247356825 524755955 /nfs/dbraw/zinc/75/59/55/524755955.db2.gz LZGMDQAJLMYTRO-KBPBESRZSA-N 0 0 313.419 0.854 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@@H](C(N)=O)O1 ZINC000157570670 524797882 /nfs/dbraw/zinc/79/78/82/524797882.db2.gz ZQHPZOYXIAHVQI-RNCFNFMXSA-N 0 0 303.318 0.472 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1N1CCOCC1 ZINC000266264489 524852283 /nfs/dbraw/zinc/85/22/83/524852283.db2.gz YNGDOGPULLTEMW-ZYHUDNBSSA-N 0 0 323.418 0.640 10 0 DCAERN Cc1cccc2c(=O)n(CCC(=O)NCC[C@@H](C)O)cnc12 ZINC000118720930 524925897 /nfs/dbraw/zinc/92/58/97/524925897.db2.gz HLEMMKLUGCTKIG-GFCCVEGCSA-N 0 0 303.362 0.982 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000113567118 524960763 /nfs/dbraw/zinc/96/07/63/524960763.db2.gz MGMWSHUQJRQACU-JOYOIKCWSA-N 0 0 304.350 0.822 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)CCC1=O ZINC000189045012 525047999 /nfs/dbraw/zinc/04/79/99/525047999.db2.gz WHEOTLCVKRIKSJ-SSDOTTSWSA-N 0 0 303.771 0.917 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000116904366 525211834 /nfs/dbraw/zinc/21/18/34/525211834.db2.gz RSFHJQDGAJWZFX-GFCCVEGCSA-N 0 0 324.468 0.520 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1CO ZINC000366450391 525233216 /nfs/dbraw/zinc/23/32/16/525233216.db2.gz IMDSLMNGAKSQBI-QJPTWQEYSA-N 0 0 304.412 0.509 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000270651648 525575035 /nfs/dbraw/zinc/57/50/35/525575035.db2.gz QVJDMZCKMHSVTQ-AVGNSLFASA-N 0 0 305.382 0.922 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H](C)CO ZINC000158824755 525578103 /nfs/dbraw/zinc/57/81/03/525578103.db2.gz KZSQOGALZQVKQU-NXEZZACHSA-N 0 0 301.364 0.753 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000157478933 525579704 /nfs/dbraw/zinc/57/97/04/525579704.db2.gz TYCLGGDDHUFPRH-SNVBAGLBSA-N 0 0 316.354 0.351 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000131966642 525584854 /nfs/dbraw/zinc/58/48/54/525584854.db2.gz IWSUOKXQDIUPSK-LLVKDONJSA-N 0 0 314.411 0.059 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)c2n1 ZINC000131525735 525620128 /nfs/dbraw/zinc/62/01/28/525620128.db2.gz HQRKHCRHGLMBIF-STQMWFEESA-N 0 0 313.361 0.921 10 0 DCAERN C[C@H](O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000247385462 525721250 /nfs/dbraw/zinc/72/12/50/525721250.db2.gz QAZJOHYESIRIOK-WHOFXGATSA-N 0 0 305.378 0.830 10 0 DCAERN COc1cccc(CS(=O)(=O)N2CCN(CCO)CC2)c1 ZINC000156212857 526064475 /nfs/dbraw/zinc/06/44/75/526064475.db2.gz SMGCIMALAYEURJ-UHFFFAOYSA-N 0 0 314.407 0.135 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000188887385 526203495 /nfs/dbraw/zinc/20/34/95/526203495.db2.gz CKQGILLUKJTVCN-LLVKDONJSA-N 0 0 303.366 0.427 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCOC3(CCOCC3)C2)c1 ZINC000120467594 526262188 /nfs/dbraw/zinc/26/21/88/526262188.db2.gz KPILJEMBSZWDLC-UHFFFAOYSA-N 0 0 308.382 0.783 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182887446 526295784 /nfs/dbraw/zinc/29/57/84/526295784.db2.gz PDOOYQXLTABELL-LBPRGKRZSA-N 0 0 319.365 0.795 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000330766711 526590590 /nfs/dbraw/zinc/59/05/90/526590590.db2.gz KWBAEUXLJUFQFQ-ZDUSSCGKSA-N 0 0 305.382 0.512 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000192607393 526606187 /nfs/dbraw/zinc/60/61/87/526606187.db2.gz RMFOBIDLGSPGPH-UHFFFAOYSA-N 0 0 324.406 0.896 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126659400 526737793 /nfs/dbraw/zinc/73/77/93/526737793.db2.gz ZAJARVIIOYMQNN-CYBMUJFWSA-N 0 0 305.382 0.529 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1sccc1OC(F)F ZINC000152131370 526883041 /nfs/dbraw/zinc/88/30/41/526883041.db2.gz XWIBYXIBPCUUSH-RXMQYKEDSA-N 0 0 304.274 0.885 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)N1CC(CO)C1 ZINC000189704381 526893588 /nfs/dbraw/zinc/89/35/88/526893588.db2.gz RYJZSSYBRSTMJI-CYBMUJFWSA-N 0 0 321.352 0.955 10 0 DCAERN CC(C)(C)n1ncc2c1nc(NCCn1ccnn1)[nH]c2=O ZINC000302155292 526937733 /nfs/dbraw/zinc/93/77/33/526937733.db2.gz IPPHVZZFAPYRTL-UHFFFAOYSA-N 0 0 302.342 0.991 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(CCC(F)(F)F)CC1CC1 ZINC000156855343 527137570 /nfs/dbraw/zinc/13/75/70/527137570.db2.gz LBKISOASGYIZPU-QMMMGPOBSA-N 0 0 307.272 0.776 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)[C@H](C)CO ZINC000131073267 527201534 /nfs/dbraw/zinc/20/15/34/527201534.db2.gz YJWVQEMLZLTVMH-BDAKNGLRSA-N 0 0 320.397 0.389 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)cn1 ZINC000267670535 527300907 /nfs/dbraw/zinc/30/09/07/527300907.db2.gz LDRUPWPLFOKZTN-AWEZNQCLSA-N 0 0 320.393 0.723 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000158805837 527489061 /nfs/dbraw/zinc/48/90/61/527489061.db2.gz WMPDCTAQRTWWLA-NEPJUHHUSA-N 0 0 318.381 0.046 10 0 DCAERN O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CC(CO)C2)C1 ZINC000156986582 527506919 /nfs/dbraw/zinc/50/69/19/527506919.db2.gz SQOFQTNHNSZGFI-CYBMUJFWSA-N 0 0 309.410 0.801 10 0 DCAERN Cn1nc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1OC(F)F ZINC000189510839 527540475 /nfs/dbraw/zinc/54/04/75/527540475.db2.gz FOIAMSVRZZKCLO-UHFFFAOYSA-N 0 0 314.292 0.372 10 0 DCAERN O=C(NC1CN(C(=O)NCc2cccc(CO)c2)C1)C1CCC1 ZINC000188842296 527541403 /nfs/dbraw/zinc/54/14/03/527541403.db2.gz YTLVBCJVJQQQQM-UHFFFAOYSA-N 0 0 317.389 0.989 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157452329 527618604 /nfs/dbraw/zinc/61/86/04/527618604.db2.gz UCNALYOFRMNSET-NOZJJQNGSA-N 0 0 308.382 0.071 10 0 DCAERN CC(C)Oc1nccnc1NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000302148162 528290833 /nfs/dbraw/zinc/29/08/33/528290833.db2.gz KJQPPRLZYXZBJC-LLVKDONJSA-N 0 0 314.411 0.957 10 0 DCAERN CCC1(CC)CN(C(=O)CN2CSCC2=O)CC[S@]1=O ZINC000186706675 529064083 /nfs/dbraw/zinc/06/40/83/529064083.db2.gz QKLJSIWVDNXTKS-FQEVSTJZSA-N 0 0 318.464 0.669 10 0 DCAERN CCC1(CC)CN(C(=O)CS(=O)(=O)CC)CC[S@@]1=O ZINC000186805315 529064735 /nfs/dbraw/zinc/06/47/35/529064735.db2.gz PQMIRVXZADDLNL-GOSISDBHSA-N 0 0 309.453 0.571 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000284763400 536777047 /nfs/dbraw/zinc/77/70/47/536777047.db2.gz WRGWBKSRCKLLLF-UWVGGRQHSA-N 0 0 312.757 0.248 10 0 DCAERN Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(=O)[nH]1 ZINC000074729058 545671194 /nfs/dbraw/zinc/67/11/94/545671194.db2.gz NMPAOUZBTSOINX-UHFFFAOYSA-N 0 0 321.358 0.261 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2ccc(N)cc2F)CCC1=O ZINC000084060021 545698403 /nfs/dbraw/zinc/69/84/03/545698403.db2.gz VSKKNNFFVSQAQY-VIFPVBQESA-N 0 0 301.343 0.307 10 0 DCAERN Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CC(=O)[O-])C2 ZINC000091587465 545717676 /nfs/dbraw/zinc/71/76/76/545717676.db2.gz KVWZOSQWAWYJFK-NWDGAFQWSA-N 0 0 307.350 0.799 10 0 DCAERN CCc1cnccc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000136408631 545807256 /nfs/dbraw/zinc/80/72/56/545807256.db2.gz MQBUUVDAHMCVAM-LBPRGKRZSA-N 0 0 311.407 0.798 10 0 DCAERN CCCC1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000151912020 545820144 /nfs/dbraw/zinc/82/01/44/545820144.db2.gz DACZVCPVZSVALC-UHFFFAOYSA-N 0 0 303.366 0.827 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000154181384 545836033 /nfs/dbraw/zinc/83/60/33/545836033.db2.gz PGGQJIAIDUYYFV-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN COc1c(CN2CCC[C@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106312 545836082 /nfs/dbraw/zinc/83/60/82/545836082.db2.gz JVNORXNFMAHTDC-NSHDSACASA-N 0 0 316.427 0.251 10 0 DCAERN COc1ccnc(C(=O)NCCc2nnc3n2CCCC3)c1 ZINC000156910369 545848447 /nfs/dbraw/zinc/84/84/47/545848447.db2.gz AKCAWUJUAIZVIH-UHFFFAOYSA-N 0 0 301.350 0.991 10 0 DCAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158560459 545856232 /nfs/dbraw/zinc/85/62/32/545856232.db2.gz NTSWCXNHDUVNLR-YPMHNXCESA-N 0 0 318.377 0.960 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)C(C)C ZINC000178898156 545896640 /nfs/dbraw/zinc/89/66/40/545896640.db2.gz JSDFHWQWSZLLDT-NSHDSACASA-N 0 0 323.397 0.463 10 0 DCAERN CC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000186498878 545915047 /nfs/dbraw/zinc/91/50/47/545915047.db2.gz MJWXAALTMYRKPJ-LBPRGKRZSA-N 0 0 317.393 0.385 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CC[C@H]2CCCO2)C1)C1CC1 ZINC000187923886 545916823 /nfs/dbraw/zinc/91/68/23/545916823.db2.gz RWXIPBDXXDARTB-GFCCVEGCSA-N 0 0 302.396 0.096 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)NCCNS(C)(=O)=O ZINC000189632586 545921705 /nfs/dbraw/zinc/92/17/05/545921705.db2.gz YAURUDAAPSCISV-UHFFFAOYSA-N 0 0 317.436 0.683 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)O1 ZINC000189600127 545921974 /nfs/dbraw/zinc/92/19/74/545921974.db2.gz KPOOBBWDAZLGPD-QWRGUYRKSA-N 0 0 304.412 0.484 10 0 DCAERN CN1CC[C@@H](NC(=O)Cn2c3ccccc3[nH]c2=O)CC1=O ZINC000190118172 545923070 /nfs/dbraw/zinc/92/30/70/545923070.db2.gz VWRPURWJZNPHBK-SNVBAGLBSA-N 0 0 302.334 0.067 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)c1ccn(C)c1C)CC2 ZINC000192521515 545928099 /nfs/dbraw/zinc/92/80/99/545928099.db2.gz HXCXXXJWRMBHDE-LLVKDONJSA-N 0 0 303.366 0.816 10 0 DCAERN Cc1cc(COCC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)on1 ZINC000193762439 545931092 /nfs/dbraw/zinc/93/10/92/545931092.db2.gz JZOARKYJTJFRBD-KGLIPLIRSA-N 0 0 310.350 0.906 10 0 DCAERN Cc1cc(COCC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)on1 ZINC000193762458 545931200 /nfs/dbraw/zinc/93/12/00/545931200.db2.gz JZOARKYJTJFRBD-ZIAGYGMSSA-N 0 0 310.350 0.906 10 0 DCAERN C[C@H]1CN(c2ccnc(C(=O)NC3(CO)CC3)c2)C[C@H](C)O1 ZINC000194950796 545933528 /nfs/dbraw/zinc/93/35/28/545933528.db2.gz ULNMVJQCDUBGSE-RYUDHWBXSA-N 0 0 305.378 0.950 10 0 DCAERN C[C@@H]1CC[C@@H](CCC(=O)NC[C@@H](O)CN2CCOCC2)O1 ZINC000245631559 545962051 /nfs/dbraw/zinc/96/20/51/545962051.db2.gz QEGAMNILBPMPBQ-MCIONIFRSA-N 0 0 300.399 0.143 10 0 DCAERN O=C(c1cn2ccccc2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329756610 546055022 /nfs/dbraw/zinc/05/50/22/546055022.db2.gz YTBBDHMVDOBQOM-CYBMUJFWSA-N 0 0 300.362 0.881 10 0 DCAERN C[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333318849 546077171 /nfs/dbraw/zinc/07/71/71/546077171.db2.gz AQWXPNALLRCLHY-ZRJCITRHSA-N 0 0 308.382 0.662 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)N(C(C)=O)C1 ZINC000333732933 546090274 /nfs/dbraw/zinc/09/02/74/546090274.db2.gz QAEKWSJTPFUBAM-GBJTYRQASA-N 0 0 310.394 0.792 10 0 DCAERN COCC[C@H](COC)NS(=O)(=O)c1ccc(N)cc1F ZINC000383321799 546216878 /nfs/dbraw/zinc/21/68/78/546216878.db2.gz WDZWKAPUSDSEOF-SNVBAGLBSA-N 0 0 306.359 0.738 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCC[C@](CO)(OC)C1 ZINC000401887707 546226286 /nfs/dbraw/zinc/22/62/86/546226286.db2.gz LVVRDEDVWDBGNP-ZDUSSCGKSA-N 0 0 308.444 0.827 10 0 DCAERN C[C@H](O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000446814744 546258935 /nfs/dbraw/zinc/25/89/35/546258935.db2.gz ZCPAWIOTRDGCQN-XQJJYNOISA-N 0 0 320.345 0.994 10 0 DCAERN C[C@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1N1CCOCC1 ZINC000669321489 546956114 /nfs/dbraw/zinc/95/61/14/546956114.db2.gz PYCMMWZOAOZPEB-AAEUAGOBSA-N 0 0 315.377 0.702 10 0 DCAERN CC(C)Cn1cc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000671606395 547266665 /nfs/dbraw/zinc/26/66/65/547266665.db2.gz DJOGSFAWEJXDKI-OAHLLOKOSA-N 0 0 318.381 0.408 10 0 DCAERN C[C@H]1CN(Cc2cnc([N-]S(C)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000725272289 548749906 /nfs/dbraw/zinc/74/99/06/548749906.db2.gz OOGLQWZBYBTIHF-WCBMZHEXSA-N 0 0 304.441 0.684 10 0 DCAERN C[C@@H](O)[C@H](C)NS(=O)(=O)c1cncc(Br)c1 ZINC000344925635 657931205 /nfs/dbraw/zinc/93/12/05/657931205.db2.gz XUJCTLLOPOWHMT-NKWVEPMBSA-N 0 0 309.185 0.892 10 0 DCAERN C=C1[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000247841322 660617273 /nfs/dbraw/zinc/61/72/73/660617273.db2.gz QCKHQBAUOKIUCT-MQYQWHSLSA-N 0 0 308.378 0.379 10 0 DCAERN O=S(=O)(c1cccnc1Cl)N1CCC[C@@](O)(CO)C1 ZINC000314351398 660819936 /nfs/dbraw/zinc/81/99/36/660819936.db2.gz IDDKYQJEEGYODO-NSHDSACASA-N 0 0 306.771 0.243 10 0 DCAERN CCCOCCOC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000314450399 660888458 /nfs/dbraw/zinc/88/84/58/660888458.db2.gz DORQQDIZJZLHFV-UHFFFAOYSA-N 0 0 316.379 0.987 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)cnn1-c1ccncc1 ZINC000888092920 661151773 /nfs/dbraw/zinc/15/17/73/661151773.db2.gz NEQCHCSEVCCDAR-YGRLFVJLSA-N 0 0 313.361 0.973 10 0 DCAERN Cc1cnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888094173 661157648 /nfs/dbraw/zinc/15/76/48/661157648.db2.gz CCWWWQPQHODZMY-QWHCGFSZSA-N 0 0 303.322 0.095 10 0 DCAERN Cc1cc(C)c(C(=O)NCc2nc([C@@H]3COCCN3C)n[nH]2)[nH]1 ZINC000888094852 661162902 /nfs/dbraw/zinc/16/29/02/661162902.db2.gz FPANHJLVCJXHBL-NSHDSACASA-N 0 0 318.381 0.683 10 0 DCAERN Cc1ccnn1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095082 661164947 /nfs/dbraw/zinc/16/49/47/661164947.db2.gz HYSZUSSJMMDLJU-ZOWXZIJZSA-N 0 0 306.366 0.134 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000741423843 667770861 /nfs/dbraw/zinc/77/08/61/667770861.db2.gz XAISWVBKSSGMEM-PRWKNARSSA-N 0 0 304.412 0.550 10 0 DCAERN CC(=O)NC[C@H](C)OC(=O)c1cnc2c(C)cccn2c1=O ZINC000091109822 665488237 /nfs/dbraw/zinc/48/82/37/665488237.db2.gz MPDJPZFYWRRXAC-JTQLQIEISA-N 0 0 303.318 0.684 10 0 DCAERN CC(C)(CNC(=O)c1cnc(Cl)cn1)CS(C)(=O)=O ZINC000723856245 657665046 /nfs/dbraw/zinc/66/50/46/657665046.db2.gz NOWNPTKKNLVWCR-UHFFFAOYSA-N 0 0 305.787 0.931 10 0 DCAERN CC(C)(CNC(=O)c1cncc(Cl)n1)CS(C)(=O)=O ZINC000723856637 657666572 /nfs/dbraw/zinc/66/65/72/657666572.db2.gz QXMWGFLFRSFJOS-UHFFFAOYSA-N 0 0 305.787 0.931 10 0 DCAERN CC(=O)[C@@H]1CC(C(=O)NC2(CO)CC2)=NN1c1ccccc1 ZINC000160338500 657717510 /nfs/dbraw/zinc/71/75/10/657717510.db2.gz RGBUDZXCXBWBFL-AWEZNQCLSA-N 0 0 301.346 0.851 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCCCC1CCCC1 ZINC000725019339 658023131 /nfs/dbraw/zinc/02/31/31/658023131.db2.gz ZSARMEYXJMOTHR-ZDUSSCGKSA-N 0 0 302.440 0.850 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NC3(C(N)=O)CC3)CC2=O)cc1 ZINC000119723871 658228722 /nfs/dbraw/zinc/22/87/22/658228722.db2.gz LEFMMXDHJZVBQH-NSHDSACASA-N 0 0 301.346 0.482 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592565 658355773 /nfs/dbraw/zinc/35/57/73/658355773.db2.gz KWYNRWZIYSKELV-LLVKDONJSA-N 0 0 315.370 0.649 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)C#N ZINC000187635112 658394467 /nfs/dbraw/zinc/39/44/67/658394467.db2.gz KRQNKNCGEZYGJT-NXEZZACHSA-N 0 0 320.374 0.389 10 0 DCAERN CCOc1cc2c(cc1CNC(=O)[C@H]1CNC(=O)N1)O[C@@H](C)C2 ZINC000089991030 658400272 /nfs/dbraw/zinc/40/02/72/658400272.db2.gz DHKUXCWQWIMGNY-JOYOIKCWSA-N 0 0 319.361 0.706 10 0 DCAERN C[C@@H]1CCC[C@H](CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235345248 658438334 /nfs/dbraw/zinc/43/83/34/658438334.db2.gz HRMQMGHAZZLVHS-FRRDWIJNSA-N 0 0 302.440 0.706 10 0 DCAERN C[C@@H]1COC[C@H](C)N1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000077368594 658520711 /nfs/dbraw/zinc/52/07/11/658520711.db2.gz RCICUPUHLOGGSK-BETUJISGSA-N 0 0 312.410 0.898 10 0 DCAERN CN1C[C@@H](CNS(=O)(=O)c2ccc(Cl)nc2F)CC1=O ZINC000723352896 658639828 /nfs/dbraw/zinc/63/98/28/658639828.db2.gz QCVFZSQHRBGESN-SSDOTTSWSA-N 0 0 321.761 0.631 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1)C(F)(F)F ZINC000177106794 658649922 /nfs/dbraw/zinc/64/99/22/658649922.db2.gz YTXGKFGHXBZJBO-SFYZADRCSA-N 0 0 311.329 0.906 10 0 DCAERN COCc1nn(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c(=O)o1 ZINC000177170001 658710305 /nfs/dbraw/zinc/71/03/05/658710305.db2.gz WWNMUBMJTRLNQL-JTQLQIEISA-N 0 0 313.354 0.604 10 0 DCAERN C[C@]1(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000177244602 658724168 /nfs/dbraw/zinc/72/41/68/658724168.db2.gz YUDKBQROCHJYRC-MRXNPFEDSA-N 0 0 318.329 0.802 10 0 DCAERN O=C1CCC(=O)N1CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255365473 658845103 /nfs/dbraw/zinc/84/51/03/658845103.db2.gz SPPSSIRODHCMBZ-FLIBITNWSA-N 0 0 308.359 0.726 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@H]2CC(c3cccnc3)=NO2)c1 ZINC000190520779 658949980 /nfs/dbraw/zinc/94/99/80/658949980.db2.gz PVNISVKHNKUJTD-CYBMUJFWSA-N 0 0 314.301 0.583 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2ccc(Cl)nc2)C1=O ZINC000077699895 659187829 /nfs/dbraw/zinc/18/78/29/659187829.db2.gz WITDYNPQTNRKNS-UHFFFAOYSA-N 0 0 310.741 0.682 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC(=O)N(CC)C2)n1 ZINC000192433116 659416563 /nfs/dbraw/zinc/41/65/63/659416563.db2.gz FBEGNYPVXCPAAF-SECBINFHSA-N 0 0 310.310 0.836 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000040348776 659500523 /nfs/dbraw/zinc/50/05/23/659500523.db2.gz QAZJYBAYNMOXDJ-UHFFFAOYSA-N 0 0 311.407 0.900 10 0 DCAERN C[C@@H](C(=O)O[C@@H]1CCS(=O)(=O)C1)N(C)CC(F)(F)F ZINC000194912515 659522130 /nfs/dbraw/zinc/52/21/30/659522130.db2.gz KQDRXCALAYLUCO-JGVFFNPUSA-N 0 0 303.302 0.599 10 0 DCAERN O=CN1CCC(OC(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000194991212 659526162 /nfs/dbraw/zinc/52/61/62/659526162.db2.gz LOCWOHLWOFTNDO-LLVKDONJSA-N 0 0 306.309 0.116 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H]1CSCCS1 ZINC000181947084 665700612 /nfs/dbraw/zinc/70/06/12/665700612.db2.gz JCNUQYOVCCGGOW-SNVBAGLBSA-N 0 0 301.441 0.816 10 0 DCAERN C[C@@H](N)c1nc(C(=O)NCCC(=O)N2CCOCC2)cs1 ZINC000124176354 661342483 /nfs/dbraw/zinc/34/24/83/661342483.db2.gz CGQMZDZPBLJENK-SECBINFHSA-N 0 0 312.395 0.142 10 0 DCAERN CCC(=O)N1CCC[C@@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222504213 661616594 /nfs/dbraw/zinc/61/65/94/661616594.db2.gz JUGUVCASJXASOM-SECBINFHSA-N 0 0 319.365 0.076 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N1CCCNC(=O)C1)c2=O ZINC000726800838 661674380 /nfs/dbraw/zinc/67/43/80/661674380.db2.gz RJZDFUWMACFDAW-UHFFFAOYSA-N 0 0 315.329 0.499 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CCO)Cc1ccccc1 ZINC000338936412 661808072 /nfs/dbraw/zinc/80/80/72/661808072.db2.gz MTENJARXNVOCGA-AWEZNQCLSA-N 0 0 308.403 0.929 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000048672583 661957160 /nfs/dbraw/zinc/95/71/60/661957160.db2.gz ISVUZUUGMXNZCJ-ZETCQYMHSA-N 0 0 307.759 0.257 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000048671648 661957180 /nfs/dbraw/zinc/95/71/80/661957180.db2.gz GIQCGFUATPIDDE-MRVPVSSYSA-N 0 0 320.802 0.281 10 0 DCAERN Cn1ncc(C(=O)NC2(CO)CC2)c1I ZINC000307596626 662023894 /nfs/dbraw/zinc/02/38/94/662023894.db2.gz MLXIZTHSSZAKKG-UHFFFAOYSA-N 0 0 321.118 0.279 10 0 DCAERN COC[C@H](NC(=O)N1CCN(Cc2ccon2)CC1)C1CC1 ZINC000126779064 662054949 /nfs/dbraw/zinc/05/49/49/662054949.db2.gz PAEJNBWXCKTXRZ-AWEZNQCLSA-N 0 0 308.382 0.927 10 0 DCAERN NC(=O)CNC(=S)NCCc1ccccc1Br ZINC000727081916 662134082 /nfs/dbraw/zinc/13/40/82/662134082.db2.gz JKSBGVMSWRJSHO-UHFFFAOYSA-N 0 0 316.224 0.941 10 0 DCAERN O=C(c1cc2c(cc1O)OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000436983505 663604720 /nfs/dbraw/zinc/60/47/20/663604720.db2.gz WWFUOYHGCIKCMF-JTQLQIEISA-N 0 0 306.318 0.278 10 0 DCAERN CC[C@@H](O)[C@@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000908093621 663731773 /nfs/dbraw/zinc/73/17/73/663731773.db2.gz JEIACHBSAZFNSO-ZOBORPQBSA-N 0 0 312.410 0.632 10 0 DCAERN CCC/C=C\[C@@H](O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000908106118 663733969 /nfs/dbraw/zinc/73/39/69/663733969.db2.gz IZGXAVLWDCJTNO-UXCARHPKSA-N 0 0 320.393 0.573 10 0 DCAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CCNC(=O)CO ZINC000908108244 663734105 /nfs/dbraw/zinc/73/41/05/663734105.db2.gz NMHUFQSIFUIPRE-XEZPLFJOSA-N 0 0 312.410 0.417 10 0 DCAERN O=C(Cc1ccc(O)c(F)c1)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909185717 663784458 /nfs/dbraw/zinc/78/44/58/663784458.db2.gz BXXFLJDABFVBPF-UXIGCNINSA-N 0 0 305.309 0.761 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cnn2c1CCCC2 ZINC000909167669 663785254 /nfs/dbraw/zinc/78/52/54/663785254.db2.gz OACVHEBCRYSKSW-XBFCOCLRSA-N 0 0 301.350 0.520 10 0 DCAERN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909190440 663786066 /nfs/dbraw/zinc/78/60/66/663786066.db2.gz OMKFDIYEQXHLIM-BZPMIXESSA-N 0 0 301.350 0.598 10 0 DCAERN C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909200306 663786936 /nfs/dbraw/zinc/78/69/36/663786936.db2.gz WXRGBWFFZAAKMW-GPTQDWHKSA-N 0 0 314.183 0.847 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1[C@@H](CO)CC[C@@H]1CO ZINC000912227078 664153223 /nfs/dbraw/zinc/15/32/23/664153223.db2.gz BMEWHVADSPPEMC-UTUOFQBUSA-N 0 0 314.382 0.340 10 0 DCAERN COc1ccc(-n2ccc(C(=O)N3CCOC[C@@H]3CO)n2)cc1 ZINC000912423016 664174356 /nfs/dbraw/zinc/17/43/56/664174356.db2.gz PYOYFLLJMANTGN-ZDUSSCGKSA-N 0 0 317.345 0.714 10 0 DCAERN O=C(c1cccc(N2CCCC2=O)c1)N1CCOC[C@H]1CO ZINC000912426670 664175166 /nfs/dbraw/zinc/17/51/66/664175166.db2.gz DPQCDBFDISJWFO-CQSZACIVSA-N 0 0 304.346 0.647 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCCC[C@H]1CO ZINC000151034897 664255434 /nfs/dbraw/zinc/25/54/34/664255434.db2.gz CAIWNHNRNCRUIE-IUCAKERBSA-N 0 0 312.288 0.942 10 0 DCAERN C[C@H](O)CNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222868376 664392323 /nfs/dbraw/zinc/39/23/23/664392323.db2.gz JSVHXMIPPMBKNP-NSHDSACASA-N 0 0 318.377 0.350 10 0 DCAERN C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCC1(CO)CC1 ZINC000223222042 664404539 /nfs/dbraw/zinc/40/45/39/664404539.db2.gz ABPGMTVJAXMWOD-LLVKDONJSA-N 0 0 317.349 0.318 10 0 DCAERN Cc1c(C(=O)N2CCN(c3ncccn3)CC2)nn2c1OCC2 ZINC000223835602 664424241 /nfs/dbraw/zinc/42/42/41/664424241.db2.gz RYNUEWGEOJAECA-UHFFFAOYSA-N 0 0 314.349 0.336 10 0 DCAERN CC(=O)NC[C@H](C)OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157417959 664470607 /nfs/dbraw/zinc/47/06/07/664470607.db2.gz LWOFVEOYBDFUKO-IONNQARKSA-N 0 0 310.272 0.465 10 0 DCAERN COc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2CO)c(C)c1 ZINC000168671383 664527543 /nfs/dbraw/zinc/52/75/43/664527543.db2.gz OXAIVKKQANKPBQ-LBPRGKRZSA-N 0 0 315.391 0.694 10 0 DCAERN CC(=O)N(C)CC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000061177024 664594823 /nfs/dbraw/zinc/59/48/23/664594823.db2.gz DKEFHOPQGRYZDY-CHWSQXEVSA-N 0 0 312.366 0.178 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000171266666 664606365 /nfs/dbraw/zinc/60/63/65/664606365.db2.gz PCTYKWIUZSFHRO-CHWSQXEVSA-N 0 0 312.366 0.897 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000171268570 664606784 /nfs/dbraw/zinc/60/67/84/664606784.db2.gz KILRRDWLOWIBSE-CHWSQXEVSA-N 0 0 312.366 0.897 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCC3(CC2)OCCO3)CCS1 ZINC000171690165 664611869 /nfs/dbraw/zinc/61/18/69/664611869.db2.gz IXLQVCQUOOVRPS-LBPRGKRZSA-N 0 0 300.424 0.789 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Cl)nc2)C1 ZINC000172048727 664615095 /nfs/dbraw/zinc/61/50/95/664615095.db2.gz XCCXDNWHINFTKN-SECBINFHSA-N 0 0 318.786 0.890 10 0 DCAERN C[C@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(N)=O ZINC000173269687 664627701 /nfs/dbraw/zinc/62/77/01/664627701.db2.gz LDHMQTULPXGOGC-NSHDSACASA-N 0 0 304.346 0.956 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(Cl)nc1 ZINC000174693174 664690493 /nfs/dbraw/zinc/69/04/93/664690493.db2.gz TXUQPBQZSQAEPR-UHFFFAOYSA-N 0 0 310.741 0.682 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cnc(Cl)c(F)c1 ZINC000313011655 664737206 /nfs/dbraw/zinc/73/72/06/664737206.db2.gz CAQWZKLWHMZELL-UHFFFAOYSA-N 0 0 319.749 0.834 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@H](n3cc(C)cn3)C2)n1 ZINC000152949214 664779429 /nfs/dbraw/zinc/77/94/29/664779429.db2.gz NSWRIUZJXROTKB-LBPRGKRZSA-N 0 0 304.354 0.864 10 0 DCAERN C[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)N1CCNC1=O ZINC000730636612 664798767 /nfs/dbraw/zinc/79/87/67/664798767.db2.gz KDCADXKDOSAKRW-SNVBAGLBSA-N 0 0 316.317 0.520 10 0 DCAERN CCCCCCOCC(=O)NCCC(=O)N1CCOCC1 ZINC000730770907 664805905 /nfs/dbraw/zinc/80/59/05/664805905.db2.gz VDGMJJVZXLSQKZ-UHFFFAOYSA-N 0 0 300.399 0.948 10 0 DCAERN NS(=O)(=O)Cc1cccc(CNC(=O)C2=COCCC2)c1 ZINC000730776432 664805950 /nfs/dbraw/zinc/80/59/50/664805950.db2.gz PLYDIRRGESXOMA-UHFFFAOYSA-N 0 0 310.375 0.786 10 0 DCAERN NC(=O)C1(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000731729498 664881834 /nfs/dbraw/zinc/88/18/34/664881834.db2.gz QLYPPGYIRUZWLA-UHFFFAOYSA-N 0 0 306.274 0.163 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000732222717 664909450 /nfs/dbraw/zinc/90/94/50/664909450.db2.gz WSXVZLGCUOCCRN-LBPRGKRZSA-N 0 0 320.374 0.802 10 0 DCAERN C[C@@H](OC(=O)Cn1ncn(C)c1=O)C(Cl)(Cl)Cl ZINC000154145625 665090509 /nfs/dbraw/zinc/09/05/09/665090509.db2.gz NLNGXQCDCLGTNZ-RXMQYKEDSA-N 0 0 302.545 0.884 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)NCC(F)F)[C@@H]2C ZINC000444386503 665118856 /nfs/dbraw/zinc/11/88/56/665118856.db2.gz XCHBUAUIAXLXQH-MRVPVSSYSA-N 0 0 315.324 0.686 10 0 DCAERN CCS[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000233825245 665329466 /nfs/dbraw/zinc/32/94/66/665329466.db2.gz CSPBZZVCFCBFDY-IJLUTSLNSA-N 0 0 320.480 0.554 10 0 DCAERN CC1(C)CCCN(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000175690273 665331936 /nfs/dbraw/zinc/33/19/36/665331936.db2.gz TVILHUMMFHFORW-UHFFFAOYSA-N 0 0 306.428 0.879 10 0 DCAERN CC[C@@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCN1CC(F)F ZINC000179562024 665386199 /nfs/dbraw/zinc/38/61/99/665386199.db2.gz BCWSPLUPFPALFO-CHWSQXEVSA-N 0 0 319.396 0.895 10 0 DCAERN C[S@](=O)c1ccc(C(=O)NCCCN2CCOC2=O)cc1 ZINC000170857429 665391096 /nfs/dbraw/zinc/39/10/96/665391096.db2.gz MPAPBIKIQLZKDL-NRFANRHFSA-N 0 0 310.375 0.996 10 0 DCAERN C[C@](O)(CNC(=O)NCCCn1ccnn1)c1cccs1 ZINC000183567414 666069259 /nfs/dbraw/zinc/06/92/59/666069259.db2.gz IITSMFBASRTVAO-ZDUSSCGKSA-N 0 0 309.395 0.937 10 0 DCAERN Cn1nnc2ccc(C(=O)OCCn3cnc([N+](=O)[O-])n3)cc21 ZINC000183651438 666087659 /nfs/dbraw/zinc/08/76/59/666087659.db2.gz NSXJWHVPWLJUTG-UHFFFAOYSA-N 0 0 317.265 0.325 10 0 DCAERN CCCOC(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184062671 666180358 /nfs/dbraw/zinc/18/03/58/666180358.db2.gz VCYIKDHIVAXXEL-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC1(C)OCCO1)CC2 ZINC000185000659 666316341 /nfs/dbraw/zinc/31/63/41/666316341.db2.gz LIBBVMATJVBNKP-LLVKDONJSA-N 0 0 323.397 0.608 10 0 DCAERN CC1(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)OCCO1 ZINC000185367268 666415972 /nfs/dbraw/zinc/41/59/72/666415972.db2.gz VZGWWNBOIDBUJW-UHFFFAOYSA-N 0 0 303.318 0.806 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(F)c(F)nc(F)c1F ZINC000700320899 666713193 /nfs/dbraw/zinc/71/31/93/666713193.db2.gz WLZNUYMFVFKKDZ-RFZPGFLSSA-N 0 0 314.260 0.862 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cn(Cc2ccccc2)nn1 ZINC000733881173 666823686 /nfs/dbraw/zinc/82/36/86/666823686.db2.gz XTZIJPOJIYSMQO-NRFANRHFSA-N 0 0 306.391 0.825 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)COc2ccccc21 ZINC000733962590 666832260 /nfs/dbraw/zinc/83/22/60/666832260.db2.gz LWXHHZFKVNUZQQ-OAQYLSRUSA-N 0 0 310.375 0.297 10 0 DCAERN CC[S@](=O)CCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000733960891 666832388 /nfs/dbraw/zinc/83/23/88/666832388.db2.gz OARNWZLPWIWDHI-IBGZPJMESA-N 0 0 324.468 0.077 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000733962757 666832662 /nfs/dbraw/zinc/83/26/62/666832662.db2.gz NHFQVJWBALPKSL-IVZQSRNASA-N 0 0 322.430 0.845 10 0 DCAERN S=C(NNC(=S)N1CCOCC1)NC(C1CC1)C1CC1 ZINC000734755187 666907236 /nfs/dbraw/zinc/90/72/36/666907236.db2.gz LDNXFFOFSXPJIU-UHFFFAOYSA-N 0 0 314.480 0.761 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000735109679 666949958 /nfs/dbraw/zinc/94/99/58/666949958.db2.gz FFHSYFOASWHCGO-ODXCJYRJSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000735110767 666954790 /nfs/dbraw/zinc/95/47/90/666954790.db2.gz LDVCAHKMUACSDZ-YBYGRFCBSA-N 0 0 315.361 0.691 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000735198325 666965984 /nfs/dbraw/zinc/96/59/84/666965984.db2.gz HDLMEIGGWFJTIE-RKFFSXRUSA-N 0 0 324.402 0.685 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000735264148 666971075 /nfs/dbraw/zinc/97/10/75/666971075.db2.gz LLIUFFVUWMCKJX-CYBMUJFWSA-N 0 0 319.386 0.832 10 0 DCAERN CN(Cc1cnccn1)S(=O)(=O)c1cccc2c1COC2=O ZINC000735505488 666994656 /nfs/dbraw/zinc/99/46/56/666994656.db2.gz KAMWLGSAZFVNGM-UHFFFAOYSA-N 0 0 319.342 0.968 10 0 DCAERN Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702820712 667000308 /nfs/dbraw/zinc/00/03/08/667000308.db2.gz WMJBXOAMBRJQIV-JQWIXIFHSA-N 0 0 324.381 0.676 10 0 DCAERN Cn1ccnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1=O ZINC000702849802 667010646 /nfs/dbraw/zinc/01/06/46/667010646.db2.gz DWSXCLLCZONBID-WDEREUQCSA-N 0 0 324.381 0.420 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2cccc(Br)n2)C1 ZINC000703160766 667062599 /nfs/dbraw/zinc/06/25/99/667062599.db2.gz RFQSZRVLGIMMEH-MRVPVSSYSA-N 0 0 320.212 0.972 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ccc[nH]c3=S)CC2)[nH]1 ZINC000735927824 667062718 /nfs/dbraw/zinc/06/27/18/667062718.db2.gz FUCNQHTTYJGVCU-UHFFFAOYSA-N 0 0 318.406 0.755 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc3n(n2)CCC3)cn1 ZINC000862921889 667092005 /nfs/dbraw/zinc/09/20/05/667092005.db2.gz KKOADFBBCUTPGW-UONOGXRCSA-N 0 0 317.349 0.139 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119391154 667123884 /nfs/dbraw/zinc/12/38/84/667123884.db2.gz QNKUGRZDFWHRSX-JSGCOSHPSA-N 0 0 305.378 0.820 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1COCCN1C ZINC000703945117 667155672 /nfs/dbraw/zinc/15/56/72/667155672.db2.gz OMXUXFADUSMSOS-JTQLQIEISA-N 0 0 319.814 0.652 10 0 DCAERN CCCOC(=O)CCNC(=O)NCC(=O)NCC(F)(F)F ZINC000736653672 667213067 /nfs/dbraw/zinc/21/30/67/667213067.db2.gz SOJUEFOCUVSIJP-UHFFFAOYSA-N 0 0 313.276 0.307 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120336060 667299232 /nfs/dbraw/zinc/29/92/32/667299232.db2.gz QJLRSYDMWNZZJY-SNVBAGLBSA-N 0 0 314.411 0.676 10 0 DCAERN C[C@@H](C(=O)NCCC1SCCS1)N1CCNCC1=O ZINC000705736034 667370351 /nfs/dbraw/zinc/37/03/51/667370351.db2.gz JRWFYKOWNAMPQW-VIFPVBQESA-N 0 0 303.453 0.119 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC(n2cccn2)C1 ZINC000707179801 667434879 /nfs/dbraw/zinc/43/48/79/667434879.db2.gz YLFQAHJUDYOJFA-UHFFFAOYSA-N 0 0 311.143 0.471 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1cccnc1Cl ZINC000709487216 667445004 /nfs/dbraw/zinc/44/50/04/667445004.db2.gz IQGYUXQHXGEZBF-JTQLQIEISA-N 0 0 319.814 0.686 10 0 DCAERN CCOC(=O)c1ncc(CN2CCOC[C@@H]2CCO)s1 ZINC000711394598 667461805 /nfs/dbraw/zinc/46/18/05/667461805.db2.gz RROBUSCRDXHIIX-JTQLQIEISA-N 0 0 300.380 0.903 10 0 DCAERN COC(=O)C1(NC(=O)Cn2ccc([C@H](C)O)n2)CCCCC1 ZINC000133748985 667476751 /nfs/dbraw/zinc/47/67/51/667476751.db2.gz ILDCOIXFYXSNEV-NSHDSACASA-N 0 0 309.366 0.929 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000134272647 667528645 /nfs/dbraw/zinc/52/86/45/667528645.db2.gz XYBSJAJPNYZRHD-XCBNKYQSSA-N 0 0 318.782 0.895 10 0 DCAERN C[C@@H](O)[C@H](O)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000717319367 667556457 /nfs/dbraw/zinc/55/64/57/667556457.db2.gz CMYQZBCIVSBEDL-LDYMZIIASA-N 0 0 307.799 0.575 10 0 DCAERN Cc1ccc(Br)c(N2CCC[C@](O)(C(N)=O)C2)n1 ZINC000712347524 667721245 /nfs/dbraw/zinc/72/12/45/667721245.db2.gz SDUWMRHXYNNZFF-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2cnccn2)C1=O ZINC000886074732 667729144 /nfs/dbraw/zinc/72/91/44/667729144.db2.gz RUTPROHRWZVDKP-CYBMUJFWSA-N 0 0 306.366 0.463 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2cncc(-n3cccn3)n2)c1 ZINC000886079365 667729771 /nfs/dbraw/zinc/72/97/71/667729771.db2.gz UXAUFVBXYOINHP-YWPYICTPSA-N 0 0 311.349 0.954 10 0 DCAERN CCn1cc(C(=O)N(C)C[C@H](O)CO)c(C2CCOCC2)n1 ZINC000886089111 667730640 /nfs/dbraw/zinc/73/06/40/667730640.db2.gz YACLARDPSVAJLV-LBPRGKRZSA-N 0 0 311.382 0.222 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000741074437 667758218 /nfs/dbraw/zinc/75/82/18/667758218.db2.gz MATRYJWVFDDZAT-YBTHPKLGSA-N 0 0 301.412 0.950 10 0 DCAERN Cn1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)cn1 ZINC000741312587 667767012 /nfs/dbraw/zinc/76/70/12/667767012.db2.gz IAQPOKULTRQXAV-UHFFFAOYSA-N 0 0 317.301 0.324 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCCOC[C@H]1CCCO1 ZINC000741316011 667767621 /nfs/dbraw/zinc/76/76/21/667767621.db2.gz UUNLKLPSZXGSLC-GFCCVEGCSA-N 0 0 323.345 0.903 10 0 DCAERN N=C1NC(=O)C(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)S1 ZINC000742598799 667794727 /nfs/dbraw/zinc/79/47/27/667794727.db2.gz PAAHCPPONGVTCN-RQJHMYQMSA-N 0 0 324.328 0.296 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(OC)nc1OC ZINC000743129160 667803126 /nfs/dbraw/zinc/80/31/26/667803126.db2.gz QZZZBSCOXLQTNZ-HXUWFJFHSA-N 0 0 301.368 0.989 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000300569421 667888079 /nfs/dbraw/zinc/88/80/79/667888079.db2.gz JQGXNNVYKTVPSL-FRRDWIJNSA-N 0 0 302.440 0.848 10 0 DCAERN CC[C@H]1CCCCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124930700 668168244 /nfs/dbraw/zinc/16/82/44/668168244.db2.gz HKVYVCXOBQJNJY-OLZOCXBDSA-N 0 0 302.440 0.944 10 0 DCAERN Cc1ccc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000125045110 668198057 /nfs/dbraw/zinc/19/80/57/668198057.db2.gz NANLDUKMSKEVOM-JTQLQIEISA-N 0 0 302.421 0.449 10 0 DCAERN COc1ccccc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126431181 668581323 /nfs/dbraw/zinc/58/13/23/668581323.db2.gz TZTYDDCEIIHALC-LBPRGKRZSA-N 0 0 312.391 0.088 10 0 DCAERN CCC1CCC(NC(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126686972 668645501 /nfs/dbraw/zinc/64/55/01/668645501.db2.gz ZXDMOSKTTOAQFN-BPCQOVAHSA-N 0 0 302.440 0.848 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000126710703 668646693 /nfs/dbraw/zinc/64/66/93/668646693.db2.gz RFWTZEUPVLCFIY-HZSPNIEDSA-N 0 0 308.403 0.435 10 0 DCAERN CCc1ccccc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126799350 668659348 /nfs/dbraw/zinc/65/93/48/668659348.db2.gz MTYSQQNIGKCFMH-AWEZNQCLSA-N 0 0 310.419 0.642 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(F)n2)cc1 ZINC000127284584 668760572 /nfs/dbraw/zinc/76/05/72/668760572.db2.gz ATNOYJBEWNMGRG-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN C[C@H](c1ccc(F)nc1)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000930786747 669081029 /nfs/dbraw/zinc/08/10/29/669081029.db2.gz FICWEERPZNEDSX-MWLCHTKSSA-N 0 0 304.329 0.919 10 0 DCAERN C[C@@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)[C@H]1CCCO1 ZINC000128245458 669172172 /nfs/dbraw/zinc/17/21/72/669172172.db2.gz VVZJJCHGRGCDAC-ZYHUDNBSSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)c(=O)[nH]c1C ZINC000129667615 669522490 /nfs/dbraw/zinc/52/24/90/669522490.db2.gz ORXSPRFYYLXIQX-JTQLQIEISA-N 0 0 307.350 0.991 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@@H]1N1CCOCC1 ZINC000933756115 669532840 /nfs/dbraw/zinc/53/28/40/669532840.db2.gz NPYXLMOPACLXFR-JSGCOSHPSA-N 0 0 307.398 0.481 10 0 DCAERN CC(C)COC1CCN(Cn2nnc3c(cnn3C)c2=O)CC1 ZINC000132446600 669725185 /nfs/dbraw/zinc/72/51/85/669725185.db2.gz JITBJUURDOZART-UHFFFAOYSA-N 0 0 320.397 0.620 10 0 DCAERN CC1(C)CO[C@H](CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000717151110 669744393 /nfs/dbraw/zinc/74/43/93/669744393.db2.gz SBXDEAJOIJSUSE-GHMZBOCLSA-N 0 0 304.412 0.471 10 0 DCAERN O=C(N[C@@H]1COCCC1=O)c1ncsc1Br ZINC000717178173 669747597 /nfs/dbraw/zinc/74/75/97/669747597.db2.gz QIZCKMNUKGJDFR-RXMQYKEDSA-N 0 0 305.153 0.993 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000793896270 669751076 /nfs/dbraw/zinc/75/10/76/669751076.db2.gz NZYUHFKVYRWGPC-AWEZNQCLSA-N 0 0 322.390 0.785 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(N)ccc2C)C1 ZINC000040330195 669820626 /nfs/dbraw/zinc/82/06/26/669820626.db2.gz RBSUVXSEFOOJOE-CYBMUJFWSA-N 0 0 311.407 0.866 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000188026852 669974322 /nfs/dbraw/zinc/97/43/22/669974322.db2.gz KASJSXIRGSGRCI-QWRGUYRKSA-N 0 0 315.395 0.681 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCN([C@@H](C)c3nc(C)no3)CC2)C1 ZINC000189145296 670093288 /nfs/dbraw/zinc/09/32/88/670093288.db2.gz PVGRQSOYBDPHAG-WCQYABFASA-N 0 0 323.397 0.261 10 0 DCAERN CC[C@@H]1CN(CN2C[C@H](OC)CC2=O)CCN1CC(F)F ZINC000189185449 670097719 /nfs/dbraw/zinc/09/77/19/670097719.db2.gz WGJWDQSHXZYVSK-VXGBXAGGSA-N 0 0 305.369 0.853 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1Cc1cn(C)nc1Br ZINC000713873146 670171187 /nfs/dbraw/zinc/17/11/87/670171187.db2.gz SRUDIFQWBPPQKH-QMMMGPOBSA-N 0 0 322.228 0.802 10 0 DCAERN COc1ccc(C(=O)NCC2(S(N)(=O)=O)CC2)c(F)c1 ZINC000714005575 670173842 /nfs/dbraw/zinc/17/38/42/670173842.db2.gz QZVVYEQULQKTIC-UHFFFAOYSA-N 0 0 302.327 0.385 10 0 DCAERN Cn1cc(CN2CCN(C)[C@H](CO)C2)c(Br)n1 ZINC000714082345 670177803 /nfs/dbraw/zinc/17/78/03/670177803.db2.gz OBVLABFOCWVLRY-JTQLQIEISA-N 0 0 303.204 0.291 10 0 DCAERN CC[C@@H](CC(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000714297432 670183274 /nfs/dbraw/zinc/18/32/74/670183274.db2.gz FNHNRIPMZOYQPA-NSHDSACASA-N 0 0 305.444 0.715 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)O[C@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000190058506 670200077 /nfs/dbraw/zinc/20/00/77/670200077.db2.gz IMXNOQWOIAKTOV-SGMGOOAPSA-N 0 0 307.350 0.662 10 0 DCAERN C#CCN(C(=O)Cc1ccn(C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000079700255 670217091 /nfs/dbraw/zinc/21/70/91/670217091.db2.gz APGGSBYXTYCCBM-CQSZACIVSA-N 0 0 323.418 0.655 10 0 DCAERN COC(=O)c1cn(CN2CCn3c(C(C)C)nnc3[C@@H]2C)nn1 ZINC000190227598 670397186 /nfs/dbraw/zinc/39/71/86/670397186.db2.gz KOCCZICPYCUHKK-JTQLQIEISA-N 0 0 319.369 0.814 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000190381330 670431246 /nfs/dbraw/zinc/43/12/46/670431246.db2.gz DSPWOLQCCSUZAM-MRXNPFEDSA-N 0 0 305.378 0.814 10 0 DCAERN C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccnc1 ZINC000113472798 670731050 /nfs/dbraw/zinc/73/10/50/670731050.db2.gz OZRJFIFVEDDPAO-XUIVZRPNSA-N 0 0 315.329 0.797 10 0 DCAERN CCCN1C(=O)C(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258763 671029922 /nfs/dbraw/zinc/02/99/22/671029922.db2.gz NFOFJETUORRUSC-NSHDSACASA-N 0 0 319.365 0.368 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC3(C2)OCCO3)cc1 ZINC000104083197 671907856 /nfs/dbraw/zinc/90/78/56/671907856.db2.gz AGRALWARWUEVJO-UHFFFAOYSA-N 0 0 306.362 0.760 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000716977313 671945673 /nfs/dbraw/zinc/94/56/73/671945673.db2.gz FQNKPUNWXVCBAL-QJPTWQEYSA-N 0 0 304.412 0.752 10 0 DCAERN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)N1CCOCC1 ZINC000104773751 672012923 /nfs/dbraw/zinc/01/29/23/672012923.db2.gz FQOURCJNMWLIMZ-JTQLQIEISA-N 0 0 316.304 0.746 10 0 DCAERN COCCN([C@H](C)C(N)=O)S(=O)(=O)/C=C/c1ccccc1 ZINC000106230576 672301102 /nfs/dbraw/zinc/30/11/02/672301102.db2.gz CYJYZQCFJFOJLI-JATZPVMKSA-N 0 0 312.391 0.809 10 0 DCAERN C[C@H](NC(=O)c1cc(F)c(Br)cc1N)C(N)=O ZINC000310253065 1158411583 /nfs/dbraw/zinc/41/15/83/1158411583.db2.gz XDBSMVJBQWZIEJ-BYPYZUCNSA-N 0 0 304.119 0.774 10 0 DCAERN Cn1[n-]nnc1=NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717909215 685303830 /nfs/dbraw/zinc/30/38/30/685303830.db2.gz ZHISWCPXXFSONO-UHFFFAOYSA-N 0 0 316.409 0.461 10 0 DCAERN CCN1CCN(c2ccc(C(=O)NOCC(N)=O)cc2F)CC1 ZINC000089462144 685099294 /nfs/dbraw/zinc/09/92/94/685099294.db2.gz ZVIXDJIPJKXFES-UHFFFAOYSA-N 0 0 324.356 0.114 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000176559233 685146058 /nfs/dbraw/zinc/14/60/58/685146058.db2.gz KXKWORIZIGIYIC-CQSZACIVSA-N 0 0 317.345 0.596 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)O1 ZINC000248686222 685176048 /nfs/dbraw/zinc/17/60/48/685176048.db2.gz HAFRFYXOLFAZGU-RTXFEEFZSA-N 0 0 307.350 0.836 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000249704180 685183755 /nfs/dbraw/zinc/18/37/55/685183755.db2.gz LFBKCMASPAGANF-WFASDCNBSA-N 0 0 308.382 0.265 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000160614898 1157877623 /nfs/dbraw/zinc/87/76/23/1157877623.db2.gz NGVHTQNWMUDNJZ-NSHDSACASA-N 0 0 304.412 0.532 10 0 DCAERN CCOc1n[nH]c(NC(=O)CN(C)C(=O)c2cccs2)n1 ZINC000228779236 1158051767 /nfs/dbraw/zinc/05/17/67/1158051767.db2.gz KWHVTHJLOULOAK-UHFFFAOYSA-N 0 0 309.351 0.976 10 0 DCAERN O=C(COc1ccc(F)cc1F)NCCn1cnccc1=O ZINC000585238082 1158110729 /nfs/dbraw/zinc/11/07/29/1158110729.db2.gz JGZFYLUXBYOLBC-UHFFFAOYSA-N 0 0 309.272 0.717 10 0 DCAERN Cn1ccc(C2CCN(C(=O)c3nc4ncccn4n3)CC2)n1 ZINC000585389238 1158111780 /nfs/dbraw/zinc/11/17/80/1158111780.db2.gz ZKVXQNZPVOIYNI-UHFFFAOYSA-N 0 0 311.349 0.878 10 0 DCAERN COC[C@@H](O)CNC(=O)c1cc(F)c(Br)cc1N ZINC000385388565 1158222442 /nfs/dbraw/zinc/22/24/42/1158222442.db2.gz YVPPECGOMWBXIO-LURJTMIESA-N 0 0 321.146 0.908 10 0 DCAERN C[C@H]1[C@@H](O)CCCN1C(=O)c1c(Br)nnn1C ZINC000384805847 1158773923 /nfs/dbraw/zinc/77/39/23/1158773923.db2.gz ZMWMMHGHIGPETQ-BQBZGAKWSA-N 0 0 303.160 0.563 10 0 DCAERN CC(C)(C)n1ncc2c1nc(NNC(=O)C1CC(=O)C1)[nH]c2=O ZINC000183536456 1159120146 /nfs/dbraw/zinc/12/01/46/1159120146.db2.gz QBFXOCPYKPRYCW-UHFFFAOYSA-N 0 0 318.337 0.297 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000044441004 1171568537 /nfs/dbraw/zinc/56/85/37/1171568537.db2.gz PBBMCPRMLKGTQP-UHFFFAOYSA-N 0 0 316.317 0.511 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1csc([C@@H](C)N)n1 ZINC000090949974 1175443710 /nfs/dbraw/zinc/44/37/10/1175443710.db2.gz DEACKWQHDGLMPI-SECBINFHSA-N 0 0 314.411 0.340 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1CCCNC(=O)C1 ZINC000094046596 1175693698 /nfs/dbraw/zinc/69/36/98/1175693698.db2.gz GDCHYJHGKYIASX-UHFFFAOYSA-N 0 0 312.167 0.993 10 0 DCAERN Cc1ncn(CC(=O)[C@@H]2CCOC2)c(=O)c1Br ZINC000158150616 1180563554 /nfs/dbraw/zinc/56/35/54/1180563554.db2.gz LHPYIWIBZZTZGV-MRVPVSSYSA-N 0 0 301.140 0.920 10 0 DCAERN Cc1noc([C@@H](NC(=O)N[C@H]2CCC(=O)N(C)C2)C(C)C)n1 ZINC000159730985 1180567309 /nfs/dbraw/zinc/56/73/09/1180567309.db2.gz FVQFXIXLZRENIL-JQWIXIFHSA-N 0 0 309.370 0.995 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)nn1 ZINC000238809983 1182422903 /nfs/dbraw/zinc/42/29/03/1182422903.db2.gz ABLWWNKFSLNFMJ-XYPYZODXSA-N 0 0 302.338 0.725 10 0 DCAERN COC(=O)[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1N ZINC000163391556 1182561534 /nfs/dbraw/zinc/56/15/34/1182561534.db2.gz XJDZZKGLYZPYSC-LLVKDONJSA-N 0 0 300.261 0.561 10 0 DCAERN COCCOCC(=O)NCCNC(=O)c1cccc(Cl)c1 ZINC000169837925 1183610109 /nfs/dbraw/zinc/61/01/09/1183610109.db2.gz JVBQHZQSRBOMTJ-UHFFFAOYSA-N 0 0 314.769 0.849 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCc1ccc([C@H](C)O)cc1 ZINC000177052350 1184226681 /nfs/dbraw/zinc/22/66/81/1184226681.db2.gz WSYWQOCWEWTPHF-NSHDSACASA-N 0 0 314.407 0.638 10 0 DCAERN O=C([C@@H]1CCCO1)N1CCN(Cc2nnc(C3CC3)[nH]2)CC1 ZINC000180406488 1185172695 /nfs/dbraw/zinc/17/26/95/1185172695.db2.gz JTTTWYNQBHLVTQ-LBPRGKRZSA-N 0 0 305.382 0.505 10 0 DCAERN C[C@@H]1CC[C@](CO)(N(C)Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000187918887 1187581691 /nfs/dbraw/zinc/58/16/91/1187581691.db2.gz CUXFHKCILCVHDH-MFKMUULPSA-N 0 0 317.411 0.597 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)cs1 ZINC000188108408 1187600187 /nfs/dbraw/zinc/60/01/87/1187600187.db2.gz RFZYYKTVNWGZPC-SNVBAGLBSA-N 0 0 308.363 0.667 10 0 DCAERN C[C@](NC(=O)Cn1nnc2ccccc21)(C(N)=O)c1ccccc1 ZINC000195182786 1188206363 /nfs/dbraw/zinc/20/63/63/1188206363.db2.gz NICLXEWGQQEYMY-QGZVFWFLSA-N 0 0 323.356 0.948 10 0 DCAERN CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000383247972 1190699098 /nfs/dbraw/zinc/69/90/98/1190699098.db2.gz DGEDEBJVBKXLIP-MRVPVSSYSA-N 0 0 318.786 0.236 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)[C@H](CC)CO1 ZINC000403800478 747372378 /nfs/dbraw/zinc/37/23/78/747372378.db2.gz FWUSGAOSXMLPBO-NXEZZACHSA-N 0 0 300.384 0.467 10 0 DCAERN C[C@H](CO)N(CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)C[C@H](C)O ZINC000588553683 747435492 /nfs/dbraw/zinc/43/54/92/747435492.db2.gz WSVGXPGVKDPVCD-FRRDWIJNSA-N 0 0 324.425 0.278 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccnc1F ZINC000401955433 774071717 /nfs/dbraw/zinc/07/17/17/774071717.db2.gz YTUDXEYNXWRDKA-SECBINFHSA-N 0 0 301.343 0.510 10 0 DCAERN Cn1ncc(C(=O)NCC[C@]2(O)CCOC2)c1Br ZINC000403138676 774097424 /nfs/dbraw/zinc/09/74/24/774097424.db2.gz URRSYTWMPMIEOX-NSHDSACASA-N 0 0 318.171 0.454 10 0 DCAERN CC[C@H](CO)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307918470 774141601 /nfs/dbraw/zinc/14/16/01/774141601.db2.gz VDEPQWSLTPWNJZ-SECBINFHSA-N 0 0 300.380 0.515 10 0 DCAERN O=C(c1cccc(Br)n1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396927564 939097901 /nfs/dbraw/zinc/09/79/01/939097901.db2.gz MXUTVTIKKXEMFQ-PSASIEDQSA-N 0 0 315.167 0.659 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCSC[C@H]2CC(=O)[O-])C1 ZINC000690831715 976338201 /nfs/dbraw/zinc/33/82/01/976338201.db2.gz PZPUCUYBFXKHOG-WDEREUQCSA-N 0 0 322.452 0.160 10 0 DCAERN COC[C@]1(C(=O)[O-])CCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000692358815 976433355 /nfs/dbraw/zinc/43/33/55/976433355.db2.gz IYHOKBWPRNJTAW-GWCFXTLKSA-N 0 0 302.396 0.174 10 0 DCAERN CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000074612847 185003017 /nfs/dbraw/zinc/00/30/17/185003017.db2.gz LIOLVSQBBBOFSW-IUODEOHRSA-N 0 0 309.414 0.849 10 0 DCAERN OC[C@H]1O[C@@H](OCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000083301289 185221907 /nfs/dbraw/zinc/22/19/07/185221907.db2.gz DQXKLNVVAXZAEN-UXXRCYHCSA-N 0 0 304.383 0.163 10 0 DCAERN CCc1cc(=O)n2nc(N(C)CCN3CCCC3=O)sc2n1 ZINC000301266750 529507444 /nfs/dbraw/zinc/50/74/44/529507444.db2.gz WOBXFYKLHUIDRZ-UHFFFAOYSA-N 0 0 321.406 0.772 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000173861545 529510489 /nfs/dbraw/zinc/51/04/89/529510489.db2.gz YHTNXLQKOHVKHU-AWEZNQCLSA-N 0 0 320.455 0.131 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n(C)n1 ZINC000155758897 529539101 /nfs/dbraw/zinc/53/91/01/529539101.db2.gz DWXLXHQIXKXBTC-UWVGGRQHSA-N 0 0 321.381 0.033 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000177893156 282195899 /nfs/dbraw/zinc/19/58/99/282195899.db2.gz RYZPGTCWTYFIPL-LBPRGKRZSA-N 0 0 317.267 0.854 10 0 DCAERN Cc1nccnc1N1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082138690 192360890 /nfs/dbraw/zinc/36/08/90/192360890.db2.gz HJUQWVFCUASWIL-UHFFFAOYSA-N 0 0 315.381 0.773 10 0 DCAERN O=S(=O)(NC[C@@]1(CCO)CCOC1)c1cccc(F)c1 ZINC000181400728 199291382 /nfs/dbraw/zinc/29/13/82/199291382.db2.gz MKJSZRYQWQRGKD-CYBMUJFWSA-N 0 0 303.355 0.893 10 0 DCAERN CCc1ncsc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328622827 529762737 /nfs/dbraw/zinc/76/27/37/529762737.db2.gz IRYBPMPBDPDIAC-UHFFFAOYSA-N 0 0 304.375 0.998 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000097012801 185396981 /nfs/dbraw/zinc/39/69/81/185396981.db2.gz BJEOONPGHINQPZ-CYBMUJFWSA-N 0 0 317.411 0.548 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000186856909 529853687 /nfs/dbraw/zinc/85/36/87/529853687.db2.gz KXPRYDXUFODZGM-UHFFFAOYSA-N 0 0 321.425 0.961 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc2[nH]ccc21)C(C)C ZINC000179081518 529895793 /nfs/dbraw/zinc/89/57/93/529895793.db2.gz FAJIZKJFSWCNNX-ZDUSSCGKSA-N 0 0 316.361 0.993 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1C)C(C)C ZINC000179082867 529896000 /nfs/dbraw/zinc/89/60/00/529896000.db2.gz BYCVMFKGLZKEAU-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(C)C ZINC000179078436 529918498 /nfs/dbraw/zinc/91/84/98/529918498.db2.gz QAAIVQIFOUISTK-SNVBAGLBSA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000178452301 529920053 /nfs/dbraw/zinc/92/00/53/529920053.db2.gz DTADHRKKCYJPRD-ZYHUDNBSSA-N 0 0 322.413 0.745 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000171838288 529904092 /nfs/dbraw/zinc/90/40/92/529904092.db2.gz KCFGAATZEKVHLG-GWCFXTLKSA-N 0 0 324.402 0.909 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188437238 529941215 /nfs/dbraw/zinc/94/12/15/529941215.db2.gz CSGMNKUJSMOMIF-GFCCVEGCSA-N 0 0 320.393 0.577 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCNC(=O)CC2)c(C)c1F ZINC000181675121 199336942 /nfs/dbraw/zinc/33/69/42/199336942.db2.gz ARVXSZNDBUFWIE-UHFFFAOYSA-N 0 0 316.354 0.653 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCS1(=O)=O ZINC000126026895 290717297 /nfs/dbraw/zinc/71/72/97/290717297.db2.gz CUCQPTMVDMCERJ-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN CN(C)c1noc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299744409 282333486 /nfs/dbraw/zinc/33/34/86/282333486.db2.gz OQFBHZLZWPLAGM-RNFRBKRXSA-N 0 0 307.276 0.231 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCOC(C)(C)C2)CCS1(=O)=O ZINC000126027311 290724073 /nfs/dbraw/zinc/72/40/73/290724073.db2.gz CUCQPTMVDMCERJ-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000188913597 530017517 /nfs/dbraw/zinc/01/75/17/530017517.db2.gz JZGPOZFTYLCPJU-STQMWFEESA-N 0 0 312.391 0.464 10 0 DCAERN CCC1(CC)CN(C(=O)C2(S(C)(=O)=O)CC2)CC[S@]1=O ZINC000408205368 282357411 /nfs/dbraw/zinc/35/74/11/282357411.db2.gz XNOSCGCNQPFTQW-IBGZPJMESA-N 0 0 321.464 0.713 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCNC(=O)CC1)CC2 ZINC000181749225 199347378 /nfs/dbraw/zinc/34/73/78/199347378.db2.gz BNDHMSOHVITREK-NSHDSACASA-N 0 0 320.397 0.248 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COCc1ccnn1C ZINC000286796116 219170663 /nfs/dbraw/zinc/17/06/63/219170663.db2.gz NZFPXSYYWMRGDP-WHOFXGATSA-N 0 0 321.377 0.737 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000193982626 282596541 /nfs/dbraw/zinc/59/65/41/282596541.db2.gz FRAGNYOXAQTGHN-QWHCGFSZSA-N 0 0 309.410 0.953 10 0 DCAERN O=C(c1cnc(OCC2CC2)cn1)N1CC(=O)N(CC2CC2)C1 ZINC000287048153 219286513 /nfs/dbraw/zinc/28/65/13/219286513.db2.gz LLKLABGFUFDVTL-UHFFFAOYSA-N 0 0 316.361 0.917 10 0 DCAERN Cc1cccc(NC(=O)C[S@](=O)CCS(C)(=O)=O)c1 ZINC000170985225 197861753 /nfs/dbraw/zinc/86/17/53/197861753.db2.gz HDRVWNDHCZMMMD-GOSISDBHSA-N 0 0 303.405 0.727 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000102751678 282680419 /nfs/dbraw/zinc/68/04/19/282680419.db2.gz IVDMXZHCHVYXBT-NWDGAFQWSA-N 0 0 318.439 0.704 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000177910106 186202929 /nfs/dbraw/zinc/20/29/29/186202929.db2.gz ILQYRIABOXEBJF-HNNXBMFYSA-N 0 0 319.405 0.849 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000253395006 186304285 /nfs/dbraw/zinc/30/42/85/186304285.db2.gz BTYDBSPVJCFCOW-STQMWFEESA-N 0 0 303.355 0.910 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCCOC1 ZINC000171692297 197967881 /nfs/dbraw/zinc/96/78/81/197967881.db2.gz ZIYIFZGDTTWXDH-NSHDSACASA-N 0 0 318.381 0.551 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000294767197 186675507 /nfs/dbraw/zinc/67/55/07/186675507.db2.gz ANOKWSHEEARCTC-UHFFFAOYSA-N 0 0 301.346 0.877 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)c1 ZINC000171907378 198005797 /nfs/dbraw/zinc/00/57/97/198005797.db2.gz ULUNYDMBDRVHBI-LSDHHAIUSA-N 0 0 321.425 0.869 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCc2ccccc2)C1 ZINC000172048634 198031357 /nfs/dbraw/zinc/03/13/57/198031357.db2.gz KUULEMLRQZZZEE-ZDUSSCGKSA-N 0 0 311.407 0.562 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 ZINC000172216786 198059306 /nfs/dbraw/zinc/05/93/06/198059306.db2.gz STYCUWHLXYANGQ-UHFFFAOYSA-N 0 0 323.378 0.812 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCS1(=O)=O ZINC000172373742 198087510 /nfs/dbraw/zinc/08/75/10/198087510.db2.gz UPXYIWNPYZLIFF-UKRRQHHQSA-N 0 0 324.446 0.805 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389389 198089673 /nfs/dbraw/zinc/08/96/73/198089673.db2.gz WTYZWAXFKOEIPC-NSHDSACASA-N 0 0 314.345 0.613 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CC[C@H](CO)C1 ZINC000172476726 198102891 /nfs/dbraw/zinc/10/28/91/198102891.db2.gz NDGDKQFJBBCLCI-STQMWFEESA-N 0 0 305.382 0.469 10 0 DCAERN CN(C)[C@H](CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000172493715 198105883 /nfs/dbraw/zinc/10/58/83/198105883.db2.gz RMEJOHRXUGCJGF-CYBMUJFWSA-N 0 0 316.361 0.824 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccccn3)C2)cn1 ZINC000172552123 198114378 /nfs/dbraw/zinc/11/43/78/198114378.db2.gz GJNHQFBETCYGFU-LBPRGKRZSA-N 0 0 313.361 0.561 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CCCSCC2)c(=O)c1 ZINC000280112734 215385243 /nfs/dbraw/zinc/38/52/43/215385243.db2.gz KMBGOWSQTCWSTI-HNNXBMFYSA-N 0 0 310.419 0.873 10 0 DCAERN O=C(CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)NC1CC1 ZINC000172700380 198138605 /nfs/dbraw/zinc/13/86/05/198138605.db2.gz CWBVJKWIZQJUCI-STQMWFEESA-N 0 0 316.357 0.956 10 0 DCAERN COCc1nc2ncc3c(ccn(C(C)(C)CO)c3=O)n2n1 ZINC000072465730 191174782 /nfs/dbraw/zinc/17/47/82/191174782.db2.gz HMPYMXIMQYMLLM-UHFFFAOYSA-N 0 0 303.322 0.313 10 0 DCAERN CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(N)=O ZINC000173034553 198179169 /nfs/dbraw/zinc/17/91/69/198179169.db2.gz IAEQNVQQKGRAFW-GHMZBOCLSA-N 0 0 304.346 0.941 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCCOC3)C2=O)n1 ZINC000173187450 198193967 /nfs/dbraw/zinc/19/39/67/198193967.db2.gz JOZWQCRPFJXRAC-NWDGAFQWSA-N 0 0 321.381 0.394 10 0 DCAERN O=C(CNC(=O)N1CCC(Cn2cccn2)CC1)NCC1CC1 ZINC000182049447 199379512 /nfs/dbraw/zinc/37/95/12/199379512.db2.gz ZXUNMZJMQMUDRW-UHFFFAOYSA-N 0 0 319.409 0.831 10 0 DCAERN OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O ZINC000001297835 180854116 /nfs/dbraw/zinc/85/41/16/180854116.db2.gz MWHKPYATGMFFPI-QCODTGAPSA-N 0 0 306.314 0.019 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)NCCCN1CCCC1=O ZINC000174016748 198281719 /nfs/dbraw/zinc/28/17/19/198281719.db2.gz HEPLFKCCBMVGHN-UHFFFAOYSA-N 0 0 307.398 0.849 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000173963172 198273995 /nfs/dbraw/zinc/27/39/95/198273995.db2.gz UXTMAKKZCLDQTM-ZYHUDNBSSA-N 0 0 322.365 0.101 10 0 DCAERN CN(C)c1ncc(NC(=O)N(C)C[C@H](O)C(F)(F)F)cn1 ZINC000182086952 199384542 /nfs/dbraw/zinc/38/45/42/199384542.db2.gz CZCPGGLWUOJJSL-QMMMGPOBSA-N 0 0 307.276 0.930 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(Cl)cn1 ZINC000182130606 199391331 /nfs/dbraw/zinc/39/13/31/199391331.db2.gz LWFXLPLHPXQGPP-UHFFFAOYSA-N 0 0 305.787 0.679 10 0 DCAERN CO[C@H](C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000280200596 215449191 /nfs/dbraw/zinc/44/91/91/215449191.db2.gz FIWJIPDXPYHPIY-RYUDHWBXSA-N 0 0 306.366 0.692 10 0 DCAERN Cc1cc(N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)nc(C)n1 ZINC000174882875 198396736 /nfs/dbraw/zinc/39/67/36/198396736.db2.gz KICIEULBBUWQDO-SNVBAGLBSA-N 0 0 320.397 0.235 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871515 283029072 /nfs/dbraw/zinc/02/90/72/283029072.db2.gz DNIJWVXNQPPSNB-CABCVRRESA-N 0 0 304.394 0.765 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC(=O)N1 ZINC000408199092 291043192 /nfs/dbraw/zinc/04/31/92/291043192.db2.gz YRBNACCCIRSTQD-GDLCADMTSA-N 0 0 315.373 0.340 10 0 DCAERN C[C@H](NC(=O)N(C)Cc1cnn(C)c1)C(=O)N1CCCCC1 ZINC000077620393 191744183 /nfs/dbraw/zinc/74/41/83/191744183.db2.gz ITLBOADTCMMBKG-LBPRGKRZSA-N 0 0 307.398 0.963 10 0 DCAERN O=C(CCNC(=O)N[C@H]1CCCn2ncnc21)N1CCCCC1 ZINC000177314649 198702887 /nfs/dbraw/zinc/70/28/87/198702887.db2.gz NTINYEWREDTICK-LBPRGKRZSA-N 0 0 320.397 0.815 10 0 DCAERN CN1CCO[C@@H](C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000080987672 192210717 /nfs/dbraw/zinc/21/07/17/192210717.db2.gz NOJAEEBDKHBHTR-OAHLLOKOSA-N 0 0 300.362 0.819 10 0 DCAERN CN1CCc2nc(NC(=O)[C@H]3CCc4n[nH]nc4C3)sc2C1 ZINC000170240905 283176020 /nfs/dbraw/zinc/17/60/20/283176020.db2.gz JRCUHXRBSWPVSX-QMMMGPOBSA-N 0 0 318.406 0.993 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000178310333 198846617 /nfs/dbraw/zinc/84/66/17/198846617.db2.gz MXCJDQSSRPTTLC-OLZOCXBDSA-N 0 0 307.398 0.858 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)NC(C)(C)C(N)=O ZINC000179121591 198986951 /nfs/dbraw/zinc/98/69/51/198986951.db2.gz CGJOWLUNNCYKKY-UHFFFAOYSA-N 0 0 305.378 0.458 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@@H](C)[C@@H]2C)cn1 ZINC000179450261 199037772 /nfs/dbraw/zinc/03/77/72/199037772.db2.gz RWIMDNSDCAQEKI-UWVGGRQHSA-N 0 0 311.411 0.987 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000179484419 199043774 /nfs/dbraw/zinc/04/37/74/199043774.db2.gz IXYJIISPHSCMFF-LBPRGKRZSA-N 0 0 318.381 0.204 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000180326084 199145386 /nfs/dbraw/zinc/14/53/86/199145386.db2.gz JQSCPARDKFKTHO-UHFFFAOYSA-N 0 0 318.377 0.834 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684660 199196759 /nfs/dbraw/zinc/19/67/59/199196759.db2.gz APQDTIJLHHDMMB-NSHDSACASA-N 0 0 323.397 0.023 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccnc1 ZINC000180694043 199198140 /nfs/dbraw/zinc/19/81/40/199198140.db2.gz GDUIDKJJBJHSMO-IACUBPJLSA-N 0 0 305.378 0.937 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000180722052 199202079 /nfs/dbraw/zinc/20/20/79/199202079.db2.gz SMKYNODAVUSOII-ZUZCIYMTSA-N 0 0 318.373 0.860 10 0 DCAERN CCCNC(=O)NC(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369542492 283376395 /nfs/dbraw/zinc/37/63/95/283376395.db2.gz UMXKLVJTCYULAQ-OAHLLOKOSA-N 0 0 313.398 0.492 10 0 DCAERN COC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181052217 199244692 /nfs/dbraw/zinc/24/46/92/199244692.db2.gz IMXJJYVLGXMFOY-SNVBAGLBSA-N 0 0 317.411 0.382 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cscn2)[C@H](C)CO1 ZINC000173065599 237151529 /nfs/dbraw/zinc/15/15/29/237151529.db2.gz JFCJMWSPGNVAQG-NXEZZACHSA-N 0 0 305.425 0.929 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCc1ccccn1 ZINC000172961759 237151952 /nfs/dbraw/zinc/15/19/52/237151952.db2.gz RBWXLSTZMTVRBA-OLZOCXBDSA-N 0 0 313.423 0.910 10 0 DCAERN C[C@H](N(C)C(=O)Cn1cnc2c(cnn2C)c1=O)C1(C)CC1 ZINC000175601392 237187502 /nfs/dbraw/zinc/18/75/02/237187502.db2.gz KTVNIJZBPBHYGX-JTQLQIEISA-N 0 0 303.366 0.777 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176076117 237194596 /nfs/dbraw/zinc/19/45/96/237194596.db2.gz CSGBKRIHHJKZON-VXNVDRBHSA-N 0 0 318.317 0.128 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(F)cc2)CCN1CCO ZINC000187667343 237353954 /nfs/dbraw/zinc/35/39/54/237353954.db2.gz VVXUBXFFCDBOBZ-CQSZACIVSA-N 0 0 323.412 0.783 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1COCCN1CC1CCC1)C(C)C ZINC000187658857 200140605 /nfs/dbraw/zinc/14/06/05/200140605.db2.gz DSZFPJRETLOEJG-ZIAGYGMSSA-N 0 0 311.426 0.374 10 0 DCAERN COCCCCS(=O)(=O)NCCN1CCOC(C)(C)C1 ZINC000188099876 237367639 /nfs/dbraw/zinc/36/76/39/237367639.db2.gz PWIKSGCJIQJHSF-UHFFFAOYSA-N 0 0 308.444 0.443 10 0 DCAERN O=C(NCC1(CCO)CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000187088101 237339491 /nfs/dbraw/zinc/33/94/91/237339491.db2.gz SDFPVHSQKSTEDO-SECBINFHSA-N 0 0 323.315 0.611 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)C[C@@H](C)O1 ZINC000188925953 237383870 /nfs/dbraw/zinc/38/38/70/237383870.db2.gz VOJHCNARPZEPCH-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000188204908 200208980 /nfs/dbraw/zinc/20/89/80/200208980.db2.gz RDXFSBTZRUBWLL-SNVBAGLBSA-N 0 0 309.414 0.745 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000193925205 237494142 /nfs/dbraw/zinc/49/41/42/237494142.db2.gz GEQGYRYHIZXOKM-QWRGUYRKSA-N 0 0 304.350 0.441 10 0 DCAERN Cc1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c(=O)[nH]c1C ZINC000154318364 291212690 /nfs/dbraw/zinc/21/26/90/291212690.db2.gz WLTPGCJQHQSSSG-QWRGUYRKSA-N 0 0 304.350 0.270 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)Nc1cnc(N(C)C)nc1 ZINC000154714118 291215072 /nfs/dbraw/zinc/21/50/72/291215072.db2.gz GAJILMKJFPJOLO-SNVBAGLBSA-N 0 0 308.386 0.969 10 0 DCAERN Cc1nc(CNS(=O)(=O)c2cc(Cl)cnc2N)no1 ZINC000154751819 291215713 /nfs/dbraw/zinc/21/57/13/291215713.db2.gz WOCVCRGZWKDUNH-UHFFFAOYSA-N 0 0 303.731 0.487 10 0 DCAERN C[C@]1(C(=O)N2CCN(Cc3ccco3)CC2)CCC(=O)NC1 ZINC000281164178 216125079 /nfs/dbraw/zinc/12/50/79/216125079.db2.gz HGPONVWXAYKNQC-INIZCTEOSA-N 0 0 305.378 0.840 10 0 DCAERN CC(C)[C@@H](O)CC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000157184582 291227372 /nfs/dbraw/zinc/22/73/72/291227372.db2.gz WUYUDDFDCVRDAP-ZDUSSCGKSA-N 0 0 304.346 0.806 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC2(O)CCC2)cc1 ZINC000158610997 291231797 /nfs/dbraw/zinc/23/17/97/291231797.db2.gz PXYCJXWNWPHPLH-UHFFFAOYSA-N 0 0 313.375 0.595 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000158248787 291230917 /nfs/dbraw/zinc/23/09/17/291230917.db2.gz QPVUYCSBYRNDSJ-UHFFFAOYSA-N 0 0 317.353 0.556 10 0 DCAERN CCc1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1F ZINC000162125161 291243361 /nfs/dbraw/zinc/24/33/61/291243361.db2.gz AJYBLMJEBPQQLS-UHFFFAOYSA-N 0 0 305.309 0.887 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000271920078 209325024 /nfs/dbraw/zinc/32/50/24/209325024.db2.gz KDNTWUUOLDIOIR-JFUSQASVSA-N 0 0 318.381 0.584 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(Cc2ccccc2)CC1 ZINC000161797062 291242913 /nfs/dbraw/zinc/24/29/13/291242913.db2.gz IUNQRPPRIODHLD-LBPRGKRZSA-N 0 0 301.346 0.724 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C(=O)C2)cn1 ZINC000275998999 238315194 /nfs/dbraw/zinc/31/51/94/238315194.db2.gz OWJVVAOGXVPHGN-GXTWGEPZSA-N 0 0 306.366 0.281 10 0 DCAERN Cn1cc(CNC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cn1 ZINC000276422055 238321470 /nfs/dbraw/zinc/32/14/70/238321470.db2.gz LKFCMMYMRBDAMJ-HNNXBMFYSA-N 0 0 321.425 0.672 10 0 DCAERN Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000276571101 238325806 /nfs/dbraw/zinc/32/58/06/238325806.db2.gz TUOWVZYSAXLEQG-HNNXBMFYSA-N 0 0 321.425 0.970 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1 ZINC000313657159 291252245 /nfs/dbraw/zinc/25/22/45/291252245.db2.gz YWAUHLIMWPAESX-CQSZACIVSA-N 0 0 313.375 0.397 10 0 DCAERN O=C(CN1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000270557868 291250723 /nfs/dbraw/zinc/25/07/23/291250723.db2.gz RNMYFRGRSFNRKS-HUUCEWRRSA-N 0 0 304.394 0.938 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000281551564 216378426 /nfs/dbraw/zinc/37/84/26/216378426.db2.gz KYVFZEMIOIINOS-SSDOTTSWSA-N 0 0 300.336 0.287 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)C[C@H](C)O1 ZINC000246081381 202562968 /nfs/dbraw/zinc/56/29/68/202562968.db2.gz FLGRMXIHKJGBSB-AXFHLTTASA-N 0 0 315.399 0.057 10 0 DCAERN O=C(NCc1cccnn1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000566451882 291303282 /nfs/dbraw/zinc/30/32/82/291303282.db2.gz DCGHBAHVHYFNLN-KRWDZBQOSA-N 0 0 310.357 0.941 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279059138 296061222 /nfs/dbraw/zinc/06/12/22/296061222.db2.gz ZVMYRRUDNRUEOE-XJKSGUPXSA-N 0 0 302.330 0.565 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)c1c(C)nn(C)c1C ZINC000119944427 291315197 /nfs/dbraw/zinc/31/51/97/291315197.db2.gz WGFMIOSRPJQRAH-NSHDSACASA-N 0 0 307.350 0.774 10 0 DCAERN C[C@H]1c2cccn2CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000194583501 291322987 /nfs/dbraw/zinc/32/29/87/291322987.db2.gz DWZKJIAZDVCOTG-JTQLQIEISA-N 0 0 304.350 0.722 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)C1CC1 ZINC000275406340 212314619 /nfs/dbraw/zinc/31/46/19/212314619.db2.gz BJEQFHVZCWDYHR-KBPBESRZSA-N 0 0 321.425 0.843 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H](O)C2)cc1 ZINC000439250062 240470738 /nfs/dbraw/zinc/47/07/38/240470738.db2.gz TUJHSRRMLVOABF-RYUDHWBXSA-N 0 0 312.391 0.501 10 0 DCAERN COC(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC000091297261 193034493 /nfs/dbraw/zinc/03/44/93/193034493.db2.gz QOWAJGMOKXVZRT-UHFFFAOYSA-N 0 0 301.320 0.656 10 0 DCAERN CC(=O)[C@@H](C)CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000447350724 240590475 /nfs/dbraw/zinc/59/04/75/240590475.db2.gz UJGBPCQYEOEOPV-FVMDXXJSSA-N 0 0 317.345 0.778 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)C[C@@H](C)CC)CC12COC2 ZINC000451621095 240666513 /nfs/dbraw/zinc/66/65/13/240666513.db2.gz UOJCZSFLRRCFIW-NWDGAFQWSA-N 0 0 319.423 0.874 10 0 DCAERN C[N@@H+]1CCN(c2ncccc2C(=O)[O-])C[C@]12CCNC(=O)CC2 ZINC000091713136 193095971 /nfs/dbraw/zinc/09/59/71/193095971.db2.gz NOEZTXMVKVPUTE-INIZCTEOSA-N 0 0 318.377 0.571 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC000091779546 193106164 /nfs/dbraw/zinc/10/61/64/193106164.db2.gz WJJSWEXOOCTZOL-SNVBAGLBSA-N 0 0 318.251 0.912 10 0 DCAERN CC(C)Oc1cccc(CC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784617 193107411 /nfs/dbraw/zinc/10/74/11/193107411.db2.gz JYWIRTYKNHFDJI-CQSZACIVSA-N 0 0 306.362 0.729 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784053 193107575 /nfs/dbraw/zinc/10/75/75/193107575.db2.gz WCOVEFVZWPOKRB-AWEZNQCLSA-N 0 0 306.362 0.785 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)[nH]n2)cc1 ZINC000091783937 193107973 /nfs/dbraw/zinc/10/79/73/193107973.db2.gz OSVRKFLPCDIUSD-CQSZACIVSA-N 0 0 314.345 0.711 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)n1cnc2ccccc21 ZINC000091810840 193111758 /nfs/dbraw/zinc/11/17/58/193111758.db2.gz CAKMFBUYCVKNFG-GWCFXTLKSA-N 0 0 302.334 0.310 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N(C)Cc2nnnn2C)c1 ZINC000457631342 241023900 /nfs/dbraw/zinc/02/39/00/241023900.db2.gz DRAGRDAGVCSGMM-UHFFFAOYSA-N 0 0 303.322 0.577 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2nccn3c(C)nnc23)CC1 ZINC000489879112 241098338 /nfs/dbraw/zinc/09/83/38/241098338.db2.gz CINHRQGFWFSBKZ-UHFFFAOYSA-N 0 0 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ANQGQXBSYJTDHN-UHFFFAOYSA-N 0 0 306.370 0.724 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@H]2CC[C@@H](OC)C2)c1 ZINC000569307113 291471889 /nfs/dbraw/zinc/47/18/89/291471889.db2.gz KQYLJVPJMVRPEG-WDEREUQCSA-N 0 0 314.363 0.714 10 0 DCAERN C[C@@]1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCCO1 ZINC000094789810 193398736 /nfs/dbraw/zinc/39/87/36/193398736.db2.gz HAEYMFUTXDQSRY-AWEZNQCLSA-N 0 0 312.391 0.562 10 0 DCAERN COCC(=O)N1CCC2(C[C@H](c3cnn(C)c3)C(=O)N2)CC1 ZINC000096069633 193520154 /nfs/dbraw/zinc/52/01/54/193520154.db2.gz OWZXELZEXDAAQY-GFCCVEGCSA-N 0 0 306.366 0.031 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 ZINC000096063926 193514653 /nfs/dbraw/zinc/51/46/53/193514653.db2.gz BVYNOXJLJVHXFO-NEPJUHHUSA-N 0 0 312.395 0.340 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000365961838 284258308 /nfs/dbraw/zinc/25/83/08/284258308.db2.gz MELPQRGRGDKLPG-UPJWGTAASA-N 0 0 318.439 0.684 10 0 DCAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000264835010 204193208 /nfs/dbraw/zinc/19/32/08/204193208.db2.gz BDKBUMIJXFZUSX-STQMWFEESA-N 0 0 319.409 0.746 10 0 DCAERN COc1cccc(N2C[C@H](CNS(C)(=O)=O)OC2=O)c1 ZINC000008838764 181587906 /nfs/dbraw/zinc/58/79/06/181587906.db2.gz SPNQJUDAWMQOJN-NSHDSACASA-N 0 0 300.336 0.570 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000265093065 204390008 /nfs/dbraw/zinc/39/00/08/204390008.db2.gz DCLSFDBGOKMEAB-CMPLNLGQSA-N 0 0 309.753 0.913 10 0 DCAERN Cc1cc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)ccc1C(N)=O ZINC000282714689 217197436 /nfs/dbraw/zinc/19/74/36/217197436.db2.gz KZQDTHKWZXIYJL-SNVBAGLBSA-N 0 0 304.350 0.788 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2ccc(S(C)(=O)=O)cc2F)C1 ZINC000288311536 220077234 /nfs/dbraw/zinc/07/72/34/220077234.db2.gz CNGZKYZUCXXYGS-VHSXEESVSA-N 0 0 303.355 0.815 10 0 DCAERN Cc1ccc(N(CC2N=NC(=S)N2N)S(C)(=O)=O)cc1 ZINC000016292599 182039662 /nfs/dbraw/zinc/03/96/62/182039662.db2.gz WDCYXYZVRQJFAR-UHFFFAOYSA-N 0 0 313.408 0.555 10 0 DCAERN 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/nfs/dbraw/zinc/63/72/96/291637296.db2.gz YWXOSJWPRVQAPO-SNVBAGLBSA-N 0 0 324.402 0.652 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)N(C)C(C)C ZINC000248770040 291654494 /nfs/dbraw/zinc/65/44/94/291654494.db2.gz AHBKCUKUVSHOME-SRVKXCTJSA-N 0 0 304.412 0.845 10 0 DCAERN Cn1c(N)c(NC(=O)c2ccccc2Cl)c(=O)n(C)c1=O ZINC000038927178 183012984 /nfs/dbraw/zinc/01/29/84/183012984.db2.gz XMVWFQNVGJVOKJ-UHFFFAOYSA-N 0 0 308.725 0.572 10 0 DCAERN CS(=O)(=O)Nc1cccc(NC(=O)C2=NNC(=O)CC2)c1 ZINC000040432489 183065740 /nfs/dbraw/zinc/06/57/40/183065740.db2.gz GMSMWDWLLYFABW-UHFFFAOYSA-N 0 0 310.335 0.263 10 0 DCAERN Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000041248341 183181471 /nfs/dbraw/zinc/18/14/71/183181471.db2.gz VUDJUECPBMRSLI-LBPRGKRZSA-N 0 0 312.391 0.521 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000103958823 193969438 /nfs/dbraw/zinc/96/94/38/193969438.db2.gz HUUDWUMOVKOQDV-GFCCVEGCSA-N 0 0 307.325 0.293 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCc2nc3ccccc3[nH]2)C1 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CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110888706 194366929 /nfs/dbraw/zinc/36/69/29/194366929.db2.gz BFWMCJWIPPOCCS-QWHCGFSZSA-N 0 0 301.346 0.529 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC000110903754 194367843 /nfs/dbraw/zinc/36/78/43/194367843.db2.gz NWNXRLWLIYLOFQ-OLZOCXBDSA-N 0 0 306.366 0.006 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000111051939 194387112 /nfs/dbraw/zinc/38/71/12/194387112.db2.gz XBOJKMQWPGLHFJ-CHWSQXEVSA-N 0 0 301.346 0.800 10 0 DCAERN O=C(CN1CCS(=O)CC1)NCCN1CCc2ccccc21 ZINC000111224246 194406614 /nfs/dbraw/zinc/40/66/14/194406614.db2.gz XJTCPFLEQMGCLQ-UHFFFAOYSA-N 0 0 321.446 0.230 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112031991 194426995 /nfs/dbraw/zinc/42/69/95/194426995.db2.gz PSFZQSFPMXOSMY-SECBINFHSA-N 0 0 312.288 0.319 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccn(C)n3)CCO2)c1 ZINC000112126703 194433711 /nfs/dbraw/zinc/43/37/11/194433711.db2.gz AJEGXBQDXXDMAP-LBPRGKRZSA-N 0 0 304.354 0.858 10 0 DCAERN COC(=O)/C=C1\S[C@H](NC(=O)c2ccccc2F)NC1=O ZINC000058899786 184131029 /nfs/dbraw/zinc/13/10/29/184131029.db2.gz SULHLTAUGBNUDP-OYVUYXNMSA-N 0 0 310.306 0.759 10 0 DCAERN CS(=O)(=O)CCNC(=O)[C@H](C(N)=S)c1ccccc1 ZINC000061616247 184178752 /nfs/dbraw/zinc/17/87/52/184178752.db2.gz MBBIFKOHYNRPGN-JTQLQIEISA-N 0 0 300.405 0.217 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)Nc1cc(N)c(F)cc1F ZINC000063142075 184273294 /nfs/dbraw/zinc/27/32/94/184273294.db2.gz VOAAEHZMICITQQ-UHFFFAOYSA-N 0 0 314.335 0.333 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000086961638 252588195 /nfs/dbraw/zinc/58/81/95/252588195.db2.gz ZBUZKJKFPYQPNK-UHFFFAOYSA-N 0 0 301.302 0.783 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178326759 252607790 /nfs/dbraw/zinc/60/77/90/252607790.db2.gz CBNRSNKJILWKGD-CXAGYDPISA-N 0 0 317.389 0.965 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(=O)NC1CC1 ZINC000173737549 252595932 /nfs/dbraw/zinc/59/59/32/252595932.db2.gz YZBQJVFRMVDXCX-SECBINFHSA-N 0 0 307.398 0.546 10 0 DCAERN COCCN1CCN(c2nccn3c2nnc3C2CC2)CC1 ZINC000302194566 532974828 /nfs/dbraw/zinc/97/48/28/532974828.db2.gz DFNHOZZWTDMNDO-UHFFFAOYSA-N 0 0 302.382 0.770 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2C[C@H](F)CN2CC(N)=O)O1 ZINC000333728797 252756859 /nfs/dbraw/zinc/75/68/59/252756859.db2.gz SVEQHHJUHZMWOX-NOOOWODRSA-N 0 0 301.362 0.960 10 0 DCAERN C[C@@H](F)CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000339035587 253024236 /nfs/dbraw/zinc/02/42/36/253024236.db2.gz PURIRQBGNLGCBE-MRVPVSSYSA-N 0 0 310.372 0.360 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC2CCCCC2)[C@@H](C)C1 ZINC000339492494 253093816 /nfs/dbraw/zinc/09/38/16/253093816.db2.gz JYRVNJDMOSUXEV-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000339741787 253136391 /nfs/dbraw/zinc/13/63/91/253136391.db2.gz AAYCVOLEBVEGOL-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2O)C1 ZINC000343489467 253660335 /nfs/dbraw/zinc/66/03/35/253660335.db2.gz ZTUFMWVMQJTIOR-UTUOFQBUSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C1CCCC1 ZINC000175784714 533105647 /nfs/dbraw/zinc/10/56/47/533105647.db2.gz YDGBIEBFTFZJEM-HIFRSBDPSA-N 0 0 313.442 0.900 10 0 DCAERN COCc1ccccc1CNC(=O)CN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346079331 254006931 /nfs/dbraw/zinc/00/69/31/254006931.db2.gz VEERHHYHYBQSRB-KBPBESRZSA-N 0 0 323.368 0.347 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@H](O)C2)[C@H]1c1cnn(C)c1 ZINC000408388333 285164079 /nfs/dbraw/zinc/16/40/79/285164079.db2.gz CDCORVDMTIFFAG-KCQAQPDRSA-N 0 0 320.393 0.313 10 0 DCAERN COCc1cccc(CNC(=O)CN2C[C@@H](F)C[C@H]2C(N)=O)c1 ZINC000346093501 254009157 /nfs/dbraw/zinc/00/91/57/254009157.db2.gz XMLAAXBCHRXWQU-KBPBESRZSA-N 0 0 323.368 0.347 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNC(=O)[C@@H]1C ZINC000105324975 220438251 /nfs/dbraw/zinc/43/82/51/220438251.db2.gz ORJCPGNALAIOOE-JTQLQIEISA-N 0 0 304.350 0.052 10 0 DCAERN CCc1nsc(N2CCN(Cc3noc(CN)n3)CC2)n1 ZINC000262282679 220469276 /nfs/dbraw/zinc/46/92/76/220469276.db2.gz UUTXTSFEIZSDCB-UHFFFAOYSA-N 0 0 309.399 0.264 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H](C)O1 ZINC000347631358 254173968 /nfs/dbraw/zinc/17/39/68/254173968.db2.gz FBLZVQZPLZBMID-RKQHYHRCSA-N 0 0 322.405 0.696 10 0 DCAERN COc1cc(CC(=O)NC[C@@H](C)S(N)(=O)=O)ccc1C ZINC000350619683 254319366 /nfs/dbraw/zinc/31/93/66/254319366.db2.gz JZCPXEPILNIDCW-SNVBAGLBSA-N 0 0 300.380 0.339 10 0 DCAERN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350621131 254319710 /nfs/dbraw/zinc/31/97/10/254319710.db2.gz PZSPOVPZGVANCZ-RKDXNWHRSA-N 0 0 304.343 0.386 10 0 DCAERN COc1ccc(OC)c(C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350629229 254321127 /nfs/dbraw/zinc/32/11/27/254321127.db2.gz MDWPREIVZDCBAZ-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(OC)c1 ZINC000350628232 254321276 /nfs/dbraw/zinc/32/12/76/254321276.db2.gz IGKCHTYIRMUMFV-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350627433 254321302 /nfs/dbraw/zinc/32/13/02/254321302.db2.gz DORWFNJMEPSNIC-NSHDSACASA-N 0 0 300.380 0.475 10 0 DCAERN CC(=O)CCCC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000351988639 254388203 /nfs/dbraw/zinc/38/82/03/254388203.db2.gz KBRRWMDOXOLJSI-UHFFFAOYSA-N 0 0 306.366 0.188 10 0 DCAERN COCCC(=O)N1CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000302682825 533171770 /nfs/dbraw/zinc/17/17/70/533171770.db2.gz PPYOBROCJWKOHX-UHFFFAOYSA-N 0 0 306.366 0.263 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000152781220 533207911 /nfs/dbraw/zinc/20/79/11/533207911.db2.gz MHOFECURSVTWDD-VXGBXAGGSA-N 0 0 306.428 0.747 10 0 DCAERN Cn1cc(C[C@@H]2[C@H](O)CCN2C(=O)Cc2ccccn2)cn1 ZINC000248089117 257110027 /nfs/dbraw/zinc/11/00/27/257110027.db2.gz BXYCRONBIQHDKR-HUUCEWRRSA-N 0 0 300.362 0.562 10 0 DCAERN Cc1cnc(N2C[C@H]3CCN(CC(=O)N(C)C)C(=O)[C@@H]3C2)nc1 ZINC000248056534 257110417 /nfs/dbraw/zinc/11/04/17/257110417.db2.gz YEKAYRDNSUFZDE-CHWSQXEVSA-N 0 0 317.393 0.158 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2N1C ZINC000248026848 257112027 /nfs/dbraw/zinc/11/20/27/257112027.db2.gz JVIQYBVHPLCVFC-FPMFFAJLSA-N 0 0 323.418 0.126 10 0 DCAERN CN(C)C(=O)CO[C@@H]1CN(Cc2ccncc2)[C@H]2COC[C@H]21 ZINC000247972214 257113447 /nfs/dbraw/zinc/11/34/47/257113447.db2.gz HTQKSBMFJOPRIC-QLFBSQMISA-N 0 0 305.378 0.386 10 0 DCAERN Cc1cc(CN2C[C@@H]3OC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)no1 ZINC000247933996 257114532 /nfs/dbraw/zinc/11/45/32/257114532.db2.gz RLEGISILUIYSNW-MJBXVCDLSA-N 0 0 307.350 0.594 10 0 DCAERN O=C(c1ccncc1)N1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000247864545 257116066 /nfs/dbraw/zinc/11/60/66/257116066.db2.gz NZIJKULPVMFYMV-UONOGXRCSA-N 0 0 321.402 0.863 10 0 DCAERN CS(=O)(=O)N1Cc2ccnn2[C@H](CNC(=O)c2ccco2)C1 ZINC000247487729 257119037 /nfs/dbraw/zinc/11/90/37/257119037.db2.gz AKWKHFMBAYXVDB-LLVKDONJSA-N 0 0 324.362 0.222 10 0 DCAERN O=S(=O)(C1CC1)N1C[C@H]2COC[C@@]2(COc2cccnc2)C1 ZINC000247304666 257120575 /nfs/dbraw/zinc/12/05/75/257120575.db2.gz GDUNNJZNVPYLCQ-SWLSCSKDSA-N 0 0 324.402 0.901 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275326826 130304969 /nfs/dbraw/zinc/30/49/69/130304969.db2.gz QNSFYKXOFABSIV-RYUDHWBXSA-N 0 0 303.366 0.939 10 0 DCAERN CN(CCn1cccn1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275614735 130347559 /nfs/dbraw/zinc/34/75/59/130347559.db2.gz VICXVMHXDRRPQO-GFCCVEGCSA-N 0 0 303.366 0.893 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@]3(C)CCCO3)C2)c1=O ZINC000275652359 130357346 /nfs/dbraw/zinc/35/73/46/130357346.db2.gz KPZWYLNONJEFOO-BLLLJJGKSA-N 0 0 320.393 0.434 10 0 DCAERN O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCN(c2cncc3ncnn32)CC1 ZINC000275780354 130383932 /nfs/dbraw/zinc/38/39/32/130383932.db2.gz SWALAOFQPWFUSN-JYAVWHMHSA-N 0 0 312.377 0.819 10 0 DCAERN Cc1csc2ncc(C(=O)N(C)CC3(CO)CC3)c(=O)n12 ZINC000275929332 130412874 /nfs/dbraw/zinc/41/28/74/130412874.db2.gz VXVIQHNIYDCLNI-UHFFFAOYSA-N 0 0 307.375 0.909 10 0 DCAERN C[C@@H]1CCSCCN1C(=O)Cn1cnc2c1ncnc2N ZINC000276720099 130539376 /nfs/dbraw/zinc/53/93/76/130539376.db2.gz AMLBRGAANOJPMU-SECBINFHSA-N 0 0 306.395 0.763 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@]3(O)CCSC3)CCO2)cn1 ZINC000276832719 130551138 /nfs/dbraw/zinc/55/11/38/130551138.db2.gz LBKQYWKIUNPNLZ-JSGCOSHPSA-N 0 0 311.407 0.671 10 0 DCAERN C[C@H]1CN(c2cnn(Cc3ccccc3)c(=O)c2)CC(=O)N1C ZINC000283530099 131001282 /nfs/dbraw/zinc/00/12/82/131001282.db2.gz NTBVXOTURYAVDQ-ZDUSSCGKSA-N 0 0 312.373 0.959 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936591 131034724 /nfs/dbraw/zinc/03/47/24/131034724.db2.gz FLKBRMANVVIJRD-QWHCGFSZSA-N 0 0 304.346 0.960 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000283942393 131035935 /nfs/dbraw/zinc/03/59/35/131035935.db2.gz JURZUFGTUGKVOY-HUUCEWRRSA-N 0 0 321.425 0.696 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958028 131036569 /nfs/dbraw/zinc/03/65/69/131036569.db2.gz GIHKTYVWNFEMRD-RYUDHWBXSA-N 0 0 323.418 0.409 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284167689 131055609 /nfs/dbraw/zinc/05/56/09/131055609.db2.gz RJCVDRUYYSTJCF-AVGNSLFASA-N 0 0 321.377 0.329 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)s1 ZINC000284424461 131079728 /nfs/dbraw/zinc/07/97/28/131079728.db2.gz FDCKCTNQPGBXAV-SCZZXKLOSA-N 0 0 304.393 0.320 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)C2CC2)CC(=O)N1C1CC1 ZINC000284465717 131083562 /nfs/dbraw/zinc/08/35/62/131083562.db2.gz HTZBNDXBTJLRJM-BXUZGUMPSA-N 0 0 324.406 0.306 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@@H]1c1cnn(C)c1 ZINC000284672256 131103236 /nfs/dbraw/zinc/10/32/36/131103236.db2.gz VSTRIRKRLWIRPQ-FRRDWIJNSA-N 0 0 304.394 0.754 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3ccc[nH]c3=O)CCN2C)n1 ZINC000284777877 131111352 /nfs/dbraw/zinc/11/13/52/131111352.db2.gz XWYORXKAHHXDIH-LLVKDONJSA-N 0 0 303.322 0.608 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000285058179 131134015 /nfs/dbraw/zinc/13/40/15/131134015.db2.gz OMCWQCHIGOFVHM-ONGXEEELSA-N 0 0 316.354 0.397 10 0 DCAERN COC[C@@H]1CN(c2nc3c(cnn3C)c(N)n2)CC(C)(C)O1 ZINC000285090734 131137727 /nfs/dbraw/zinc/13/77/27/131137727.db2.gz QEGWISTWIWSMOK-VIFPVBQESA-N 0 0 306.370 0.576 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC000285273497 131153403 /nfs/dbraw/zinc/15/34/03/131153403.db2.gz AULIQNQJFOIKAF-UTUOFQBUSA-N 0 0 321.381 0.352 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)Cc1cc(C)on1 ZINC000285272475 131153501 /nfs/dbraw/zinc/15/35/01/131153501.db2.gz ZLKSXDAHGCAEOI-RYUDHWBXSA-N 0 0 304.368 0.549 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](NCc1cocn1)C(F)(F)F ZINC000285379575 131162774 /nfs/dbraw/zinc/16/27/74/131162774.db2.gz CQUNARBPGDTLNC-QMMMGPOBSA-N 0 0 301.290 0.587 10 0 DCAERN CCCn1ncc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1C1CC1 ZINC000285403946 131165263 /nfs/dbraw/zinc/16/52/63/131165263.db2.gz HBEQMGSMIOVZAA-INIZCTEOSA-N 0 0 320.393 0.623 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450419 131169695 /nfs/dbraw/zinc/16/96/95/131169695.db2.gz JLEFFANPBSXLLS-LSDHHAIUSA-N 0 0 304.394 0.739 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000285508466 131175456 /nfs/dbraw/zinc/17/54/56/131175456.db2.gz MQJXWMYYLXITLN-BLLLJJGKSA-N 0 0 303.362 0.340 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@@H](F)C[C@@H]1CO ZINC000366659612 131344708 /nfs/dbraw/zinc/34/47/08/131344708.db2.gz IOCMTYXDEJFYJV-SOUVJXGZSA-N 0 0 320.364 0.966 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)sn1 ZINC000289327746 131373863 /nfs/dbraw/zinc/37/38/63/131373863.db2.gz XWAPZWBANCCVDN-ZDUSSCGKSA-N 0 0 311.363 0.408 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012612404 395687884 /nfs/dbraw/zinc/68/78/84/395687884.db2.gz IEOFYNAYGNOIMC-OAHLLOKOSA-N 0 0 317.389 0.472 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)ccc1=O ZINC000014026276 395688999 /nfs/dbraw/zinc/68/89/99/395688999.db2.gz QODQRNUEKHQQQL-ZDUSSCGKSA-N 0 0 317.389 0.860 10 0 DCAERN COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1N ZINC000020506054 395691323 /nfs/dbraw/zinc/69/13/23/395691323.db2.gz NDOOUDPAUAOKGO-UHFFFAOYSA-N 0 0 310.379 0.843 10 0 DCAERN CC(C)C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N1CCOCC1 ZINC000030603883 395703650 /nfs/dbraw/zinc/70/36/50/395703650.db2.gz PJPHHJCZKUNFPB-HNNXBMFYSA-N 0 0 321.421 0.862 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCC(=O)NC(C)C ZINC000087055431 395705482 /nfs/dbraw/zinc/70/54/82/395705482.db2.gz KHPOUSUOPIFUJC-LLVKDONJSA-N 0 0 322.413 0.889 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](C)[C@@H](O)C3)nc2n1 ZINC000089429739 395711727 /nfs/dbraw/zinc/71/17/27/395711727.db2.gz SUVQNTALRGGMQN-SKDRFNHKSA-N 0 0 303.366 0.513 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000035177068 395719294 /nfs/dbraw/zinc/71/92/94/395719294.db2.gz SAVCDSKUESOWES-AXFHLTTASA-N 0 0 308.400 0.128 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000035187312 395719920 /nfs/dbraw/zinc/71/99/20/395719920.db2.gz AOWPSPGZQVCLQB-NWDGAFQWSA-N 0 0 304.412 0.174 10 0 DCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCC1CC1 ZINC000027894402 395695365 /nfs/dbraw/zinc/69/53/65/395695365.db2.gz YZXGZLHMGKGCLT-SNVBAGLBSA-N 0 0 323.418 0.611 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000028174027 395695735 /nfs/dbraw/zinc/69/57/35/395695735.db2.gz SASMOSFNBCTOHH-GFCCVEGCSA-N 0 0 307.419 0.830 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000028490330 395696033 /nfs/dbraw/zinc/69/60/33/395696033.db2.gz SRXFREMORZVZMX-QWRGUYRKSA-N 0 0 312.391 0.844 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCCOC1 ZINC000038044644 395731225 /nfs/dbraw/zinc/73/12/25/395731225.db2.gz JDHONOTZIBTGLQ-VIFPVBQESA-N 0 0 317.367 0.291 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC000041127356 395735625 /nfs/dbraw/zinc/73/56/25/395735625.db2.gz PVUONSIGMHHOOI-CHWSQXEVSA-N 0 0 315.373 0.682 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)CO)C(C)C ZINC000097204640 395756106 /nfs/dbraw/zinc/75/61/06/395756106.db2.gz RVTFKOSHTGLSAG-SMDDNHRTSA-N 0 0 308.378 0.947 10 0 DCAERN NC(=O)CCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000042927625 395750710 /nfs/dbraw/zinc/75/07/10/395750710.db2.gz LTMVOITYXSJOMQ-AWEZNQCLSA-N 0 0 317.389 0.459 10 0 DCAERN CSCC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044704788 395758110 /nfs/dbraw/zinc/75/81/10/395758110.db2.gz HYPLGZRCCBPJPN-CYBMUJFWSA-N 0 0 313.467 0.895 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000193911108 395782352 /nfs/dbraw/zinc/78/23/52/395782352.db2.gz GMRFUCZMZGJYHG-JFGNBEQYSA-N 0 0 320.397 0.499 10 0 DCAERN C[C@H](NC(=O)c1csnn1)c1ccc(S(N)(=O)=O)cc1 ZINC000108276116 395787104 /nfs/dbraw/zinc/78/71/04/395787104.db2.gz BFOHNQFBQLUVTQ-ZETCQYMHSA-N 0 0 312.376 0.677 10 0 DCAERN CCOCCOCC(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000194125788 395788717 /nfs/dbraw/zinc/78/87/17/395788717.db2.gz MSBLZSCYNHIASM-UHFFFAOYSA-N 0 0 305.338 0.962 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)NCCCN1CCCC1=O ZINC000098067282 395761922 /nfs/dbraw/zinc/76/19/22/395761922.db2.gz MICNAYQAXPRQMZ-UHFFFAOYSA-N 0 0 321.352 0.684 10 0 DCAERN CCOC(=O)C1(C(=O)OCC)OC(=O)c2ccccc2[C@@H]1O ZINC000098210213 395762186 /nfs/dbraw/zinc/76/21/86/395762186.db2.gz HYXIBZHGLFRNIK-NSHDSACASA-N 0 0 308.286 0.755 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCCc2nc(C)no2)C1 ZINC000101618517 395765710 /nfs/dbraw/zinc/76/57/10/395765710.db2.gz NWXGHKROXJEKBB-GFCCVEGCSA-N 0 0 323.397 0.868 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC(=O)OCC1CC1 ZINC000101878704 395767673 /nfs/dbraw/zinc/76/76/73/395767673.db2.gz KQDRALMUOXVZMJ-UHFFFAOYSA-N 0 0 303.318 0.399 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)Cc1ccccc1)N1CCOCC1 ZINC000103853779 395775443 /nfs/dbraw/zinc/77/54/43/395775443.db2.gz QUKBHRDNSFDYTA-GDBMZVCRSA-N 0 0 321.421 0.610 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000270481092 395775817 /nfs/dbraw/zinc/77/58/17/395775817.db2.gz IZTNEJSCAXTUDH-VIFPVBQESA-N 0 0 322.390 0.605 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000103958913 395775977 /nfs/dbraw/zinc/77/59/77/395775977.db2.gz QQWPHARVIWPGAD-GFCCVEGCSA-N 0 0 323.780 0.807 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@@]23CCOC3)cc1 ZINC000193693994 395777324 /nfs/dbraw/zinc/77/73/24/395777324.db2.gz YVYWMYKAOGNPSY-KRWDZBQOSA-N 0 0 320.389 0.803 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(C)Cc2ccccc2C1 ZINC000193737427 395778298 /nfs/dbraw/zinc/77/82/98/395778298.db2.gz RJSJEHYFQJYBKE-HZPDHXFCSA-N 0 0 316.401 0.889 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000194723728 395805544 /nfs/dbraw/zinc/80/55/44/395805544.db2.gz SBHSPGBOGBJPKI-CYBMUJFWSA-N 0 0 301.350 0.328 10 0 DCAERN Cc1ccn(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(=O)c1 ZINC000194771970 395808001 /nfs/dbraw/zinc/80/80/01/395808001.db2.gz JUSVBXXZTKVFMT-HUUCEWRRSA-N 0 0 319.405 0.336 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1 ZINC000194849675 395809365 /nfs/dbraw/zinc/80/93/65/395809365.db2.gz CIFZAVNNQZDNGG-UHFFFAOYSA-N 0 0 322.333 0.294 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111664118 395811298 /nfs/dbraw/zinc/81/12/98/395811298.db2.gz RQCRWOMEJAEOEL-CYBMUJFWSA-N 0 0 303.366 0.693 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@@H]2C1 ZINC000194953269 395812151 /nfs/dbraw/zinc/81/21/51/395812151.db2.gz SOWNOGBOXRKAGD-RBSFLKMASA-N 0 0 320.389 0.952 10 0 DCAERN O=C(NCCc1nccs1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111846387 395814076 /nfs/dbraw/zinc/81/40/76/395814076.db2.gz XTCLYOWFTGCKPI-LBPRGKRZSA-N 0 0 321.406 0.993 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000112337014 395816104 /nfs/dbraw/zinc/81/61/04/395816104.db2.gz VZCWDJMHTPZMKS-GFCCVEGCSA-N 0 0 304.412 0.848 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cn(Cc2ccccc2)nn1 ZINC000112647440 395819910 /nfs/dbraw/zinc/81/99/10/395819910.db2.gz ISIBQRRLQJLXPR-ZDUSSCGKSA-N 0 0 323.360 0.663 10 0 DCAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112650788 395820869 /nfs/dbraw/zinc/82/08/69/395820869.db2.gz RCPZKURIMICUMQ-PWSUYJOCSA-N 0 0 311.345 0.835 10 0 DCAERN CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429322 395826469 /nfs/dbraw/zinc/82/64/69/395826469.db2.gz AECKLARKZGXKNG-SNVBAGLBSA-N 0 0 317.415 0.426 10 0 DCAERN CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000049372008 395831396 /nfs/dbraw/zinc/83/13/96/395831396.db2.gz MJHOWKMAVHHWDX-NXEZZACHSA-N 0 0 300.380 0.936 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CCO1 ZINC000198254860 395833181 /nfs/dbraw/zinc/83/31/81/395833181.db2.gz ZOMUPTBNIWBJIB-LBPRGKRZSA-N 0 0 323.393 0.831 10 0 DCAERN CC(C)(C)NC(=O)CN1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134360 395859842 /nfs/dbraw/zinc/85/98/42/395859842.db2.gz QBIKZZGFSAKUQC-GFCCVEGCSA-N 0 0 319.471 0.695 10 0 DCAERN CCc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000118115418 395860372 /nfs/dbraw/zinc/86/03/72/395860372.db2.gz ZJBBVBRPKKBHHT-AWEZNQCLSA-N 0 0 305.378 0.634 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370391 395843711 /nfs/dbraw/zinc/84/37/11/395843711.db2.gz FLNFVQAJXPIGKH-GFCCVEGCSA-N 0 0 323.422 0.949 10 0 DCAERN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000116465452 395843910 /nfs/dbraw/zinc/84/39/10/395843910.db2.gz OOCFNYQRKSKTRO-OCCSQVGLSA-N 0 0 306.362 0.760 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CNC(=O)C3)C2)n1 ZINC000116778193 395845546 /nfs/dbraw/zinc/84/55/46/395845546.db2.gz GUZRSEHXBLWPMA-QWHCGFSZSA-N 0 0 305.382 0.270 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000116836107 395847624 /nfs/dbraw/zinc/84/76/24/395847624.db2.gz DOFOOHVKAAABMX-VIFPVBQESA-N 0 0 304.318 0.729 10 0 DCAERN COCCS(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000116898425 395848363 /nfs/dbraw/zinc/84/83/63/395848363.db2.gz SPGNMMIFBWRZCX-CYBMUJFWSA-N 0 0 312.391 0.700 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000116891865 395848942 /nfs/dbraw/zinc/84/89/42/395848942.db2.gz DZJRRBIWNBKMSQ-LBPRGKRZSA-N 0 0 315.370 0.388 10 0 DCAERN CN(C)c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116982045 395850204 /nfs/dbraw/zinc/85/02/04/395850204.db2.gz VXNPNMYFWLJBTH-GFCCVEGCSA-N 0 0 311.407 0.516 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)[C@H](C)NC(N)=O)C2)c1 ZINC000117269391 395851392 /nfs/dbraw/zinc/85/13/92/395851392.db2.gz JZXBANLTVDHWLC-NWDGAFQWSA-N 0 0 320.393 0.837 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000194343601 395794301 /nfs/dbraw/zinc/79/43/01/395794301.db2.gz VJAJDVNETHBECI-HZMBPMFUSA-N 0 0 314.345 0.037 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000194506911 395797942 /nfs/dbraw/zinc/79/79/42/395797942.db2.gz QGBBRSVDAYYNJT-UHFFFAOYSA-N 0 0 322.409 0.357 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613674 395801233 /nfs/dbraw/zinc/80/12/33/395801233.db2.gz QWJJUDXEUQDNMD-WCQYABFASA-N 0 0 303.362 0.559 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194614754 395801451 /nfs/dbraw/zinc/80/14/51/395801451.db2.gz GSPLHWUOSPWTEQ-CYBMUJFWSA-N 0 0 315.373 0.560 10 0 DCAERN COC(=O)CCCCCNC(=O)c1nc2nccc(C)n2n1 ZINC000053657211 395887287 /nfs/dbraw/zinc/88/72/87/395887287.db2.gz JIKQSOGYOGJVGK-UHFFFAOYSA-N 0 0 305.338 0.896 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCn1ccnc1 ZINC000234582156 395889565 /nfs/dbraw/zinc/88/95/65/395889565.db2.gz ZIZYLYJIWFHPIB-QWRGUYRKSA-N 0 0 301.368 0.144 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(C(F)(F)F)cn1 ZINC000123687310 395896909 /nfs/dbraw/zinc/89/69/09/395896909.db2.gz UWSDPPARVBJKMF-MRVPVSSYSA-N 0 0 301.224 0.635 10 0 DCAERN COc1cc(C(=O)N2CCNC(=O)CC2)cc(OC)c1OC ZINC000054547345 395902298 /nfs/dbraw/zinc/90/22/98/395902298.db2.gz YEGMVHRARYWNOB-UHFFFAOYSA-N 0 0 308.334 0.675 10 0 DCAERN CCc1nnc(CSc2nnc(-c3cc(C)[nH]n3)n2N)n1C ZINC000125481698 395902972 /nfs/dbraw/zinc/90/29/72/395902972.db2.gz SRTFJYUJBOZFDV-UHFFFAOYSA-N 0 0 319.398 0.674 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000125826887 395906525 /nfs/dbraw/zinc/90/65/25/395906525.db2.gz NEKULAUNKCNABJ-JKSUJKDBSA-N 0 0 307.438 0.936 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cnn2c1CCCC2 ZINC000127500922 395916237 /nfs/dbraw/zinc/91/62/37/395916237.db2.gz PNXSLTHEJGSFHD-QWRGUYRKSA-N 0 0 311.407 0.867 10 0 DCAERN O=C1NCCC[C@H]1Nc1ncc(I)cn1 ZINC000127932929 395916542 /nfs/dbraw/zinc/91/65/42/395916542.db2.gz MPGLYRICMMQYPA-SSDOTTSWSA-N 0 0 318.118 0.772 10 0 DCAERN CN1CCc2ncnc(N3CC[C@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572098 395931143 /nfs/dbraw/zinc/93/11/43/395931143.db2.gz AISWECYEKSANDI-LBPRGKRZSA-N 0 0 316.409 0.505 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000118719927 395863944 /nfs/dbraw/zinc/86/39/44/395863944.db2.gz LXCFZYGQKDPQRW-BDAKNGLRSA-N 0 0 306.409 0.302 10 0 DCAERN CC(C)[C@@H](CNC(=O)CCc1ccnn1C)N1CCOCC1 ZINC000119320078 395869557 /nfs/dbraw/zinc/86/95/57/395869557.db2.gz MUUYKSXHBPLWAC-OAHLLOKOSA-N 0 0 308.426 0.826 10 0 DCAERN CN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000119437075 395870763 /nfs/dbraw/zinc/87/07/63/395870763.db2.gz DDSSUJAMTFZINA-CQSZACIVSA-N 0 0 312.797 0.992 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CCN2C(=O)CCC2=O)n[nH]1 ZINC000119767888 395875809 /nfs/dbraw/zinc/87/58/09/395875809.db2.gz PNJHABHCNAMBPY-UHFFFAOYSA-N 0 0 316.321 0.288 10 0 DCAERN CCc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000119966595 395880098 /nfs/dbraw/zinc/88/00/98/395880098.db2.gz NMAKOORPWZLMLX-UHFFFAOYSA-N 0 0 321.421 0.818 10 0 DCAERN COC(C)(C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000231360977 395884294 /nfs/dbraw/zinc/88/42/94/395884294.db2.gz FJYDQKBUQWNSCE-VIFPVBQESA-N 0 0 300.380 0.936 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152006253 395998230 /nfs/dbraw/zinc/99/82/30/395998230.db2.gz WHVAVBIIPAWCQE-MFKMUULPSA-N 0 0 305.313 0.801 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000245931755 395938087 /nfs/dbraw/zinc/93/80/87/395938087.db2.gz ZFZIRIKLYTUCHD-MCIONIFRSA-N 0 0 319.471 0.662 10 0 DCAERN CCS(=O)(=O)NCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246043445 395940410 /nfs/dbraw/zinc/94/04/10/395940410.db2.gz SEAWOEMSBVFWRZ-UPJWGTAASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@H]1C ZINC000246085184 395940873 /nfs/dbraw/zinc/94/08/73/395940873.db2.gz IGGCJJURGPMFDL-AGIUHOORSA-N 0 0 306.410 0.743 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000246123141 395942332 /nfs/dbraw/zinc/94/23/32/395942332.db2.gz SQPYDMNIEVJHRS-GFCCVEGCSA-N 0 0 320.436 0.944 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000246159345 395942653 /nfs/dbraw/zinc/94/26/53/395942653.db2.gz WXXJTTKFGPUBSK-QWHCGFSZSA-N 0 0 317.349 0.796 10 0 DCAERN NC(=O)COCCNC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000136017621 395943489 /nfs/dbraw/zinc/94/34/89/395943489.db2.gz FQIJXLQUHVZHOD-UHFFFAOYSA-N 0 0 320.267 0.746 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000246217060 395944551 /nfs/dbraw/zinc/94/45/51/395944551.db2.gz PKNUKFUTPGDODI-OMXAPOSASA-N 0 0 313.357 0.905 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000248866241 395999362 /nfs/dbraw/zinc/99/93/62/395999362.db2.gz TVHWVEXTFCWOPR-NFAWXSAZSA-N 0 0 309.410 0.034 10 0 DCAERN O=C(c1c(O)cnc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000136995323 395949310 /nfs/dbraw/zinc/94/93/10/395949310.db2.gz IWNLBKXFARIZOQ-SNVBAGLBSA-N 0 0 312.329 0.790 10 0 DCAERN CCc1nnc2ccc(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)nn21 ZINC000246607394 395954021 /nfs/dbraw/zinc/95/40/21/395954021.db2.gz WJLIYDJYQLEYAJ-OLZOCXBDSA-N 0 0 316.409 0.844 10 0 DCAERN CC(C)OCCS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246609912 395954060 /nfs/dbraw/zinc/95/40/60/395954060.db2.gz WSRRWTULHJAHDE-UONOGXRCSA-N 0 0 320.455 0.394 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H](C)COC)C[C@H]1C ZINC000246629672 395954310 /nfs/dbraw/zinc/95/43/10/395954310.db2.gz CMTPXZZCAHHKHB-CHWSQXEVSA-N 0 0 308.444 0.394 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCC(C(=O)N(C)C)CC1 ZINC000058773222 395955387 /nfs/dbraw/zinc/95/53/87/395955387.db2.gz RRMKVNAUJFDVJF-UHFFFAOYSA-N 0 0 312.414 0.268 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1=O ZINC000246787924 395957017 /nfs/dbraw/zinc/95/70/17/395957017.db2.gz RCYIWNUBYDUQSJ-MJBXVCDLSA-N 0 0 310.394 0.509 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000058962831 395958483 /nfs/dbraw/zinc/95/84/83/395958483.db2.gz FGULLNNRDGAQJB-AWEZNQCLSA-N 0 0 301.350 0.842 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246821359 395958720 /nfs/dbraw/zinc/95/87/20/395958720.db2.gz SNTCDRZBDXZDKO-AGIUHOORSA-N 0 0 314.430 0.127 10 0 DCAERN COCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@H]1C ZINC000247052235 395964925 /nfs/dbraw/zinc/96/49/25/395964925.db2.gz JQNXSVFQFVZKJW-ILXRZTDVSA-N 0 0 314.426 0.750 10 0 DCAERN CCCOC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000247096858 395966614 /nfs/dbraw/zinc/96/66/14/395966614.db2.gz XTIWOECUXILUBL-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN CCOCCN1CCN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1C ZINC000247090338 395967067 /nfs/dbraw/zinc/96/70/67/395967067.db2.gz HMULLSQARQSSIW-LSDHHAIUSA-N 0 0 313.442 0.324 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000061619076 395970014 /nfs/dbraw/zinc/97/00/14/395970014.db2.gz FMTNZRZYCNSBDT-JTQLQIEISA-N 0 0 313.379 0.847 10 0 DCAERN O=C1NC[C@H]2CN(C[C@@H](O)COCc3ccccc3)CCN12 ZINC000247260916 395970749 /nfs/dbraw/zinc/97/07/49/395970749.db2.gz VHXIFCISDLTJBO-LSDHHAIUSA-N 0 0 305.378 0.274 10 0 DCAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@H]1CNC(=O)C1 ZINC000150952744 395976542 /nfs/dbraw/zinc/97/65/42/395976542.db2.gz GLILDZJTDVDQGQ-SNVBAGLBSA-N 0 0 302.359 0.957 10 0 DCAERN NC(=O)CN(CC(N)=O)C(=O)CCCc1ccc(F)c(F)c1 ZINC000151048425 395977061 /nfs/dbraw/zinc/97/70/61/395977061.db2.gz MWIVPBLMDNPXPJ-UHFFFAOYSA-N 0 0 313.304 0.087 10 0 DCAERN CN(CCn1cccn1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000247673061 395978012 /nfs/dbraw/zinc/97/80/12/395978012.db2.gz QJZWBRSCASGVFI-HUUCEWRRSA-N 0 0 306.410 0.985 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000151102658 395978361 /nfs/dbraw/zinc/97/83/61/395978361.db2.gz FIXFGLDSVVGEJN-FZMZJTMJSA-N 0 0 302.440 0.864 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COCc1nc(C)no1 ZINC000151165110 395980258 /nfs/dbraw/zinc/98/02/58/395980258.db2.gz KEDASLKPWYFQKU-SNVBAGLBSA-N 0 0 320.353 0.700 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000151520367 395987644 /nfs/dbraw/zinc/98/76/44/395987644.db2.gz DEKSKLPUHYRHKO-OLZOCXBDSA-N 0 0 319.471 0.839 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)C1 ZINC000066105474 396001681 /nfs/dbraw/zinc/00/16/81/396001681.db2.gz RERRUMPEDDMKKU-CHWSQXEVSA-N 0 0 317.455 0.941 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N(C)C(C)C ZINC000248770043 395996847 /nfs/dbraw/zinc/99/68/47/395996847.db2.gz AHBKCUKUVSHOME-TUAOUCFPSA-N 0 0 304.412 0.845 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(=O)[nH]c1C ZINC000153839595 396026559 /nfs/dbraw/zinc/02/65/59/396026559.db2.gz IHGBRQRJGISVAG-VXGBXAGGSA-N 0 0 307.350 0.407 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153987953 396028037 /nfs/dbraw/zinc/02/80/37/396028037.db2.gz DFYJINUSTNBWSZ-CSMHCCOUSA-N 0 0 307.272 0.822 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[C@@H]1CCOC1 ZINC000276844106 396032238 /nfs/dbraw/zinc/03/22/38/396032238.db2.gz YZQOEJYBQFLUIR-MJBXVCDLSA-N 0 0 321.425 0.843 10 0 DCAERN C/C=C\C[S@](=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000255145447 396032426 /nfs/dbraw/zinc/03/24/26/396032426.db2.gz NCQGFVUIBZEPAW-XSAUMEDDSA-N 0 0 324.406 0.149 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2cccs2)C1 ZINC000154151298 396032906 /nfs/dbraw/zinc/03/29/06/396032906.db2.gz UCMZYYDDJBHACP-RISCZKNCSA-N 0 0 313.423 0.585 10 0 DCAERN CN(C[C@@H](O)c1ccccc1)C(=O)C(=S)N1CCOCC1 ZINC000256029731 396032960 /nfs/dbraw/zinc/03/29/60/396032960.db2.gz DHABASDQGXNVKN-CYBMUJFWSA-N 0 0 308.403 0.838 10 0 DCAERN CCc1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2 ZINC000067774471 396033459 /nfs/dbraw/zinc/03/34/59/396033459.db2.gz SDAGVPGSXKJNBQ-UHFFFAOYSA-N 0 0 301.354 0.336 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)C3COC3)CCO2)cn1 ZINC000276953363 396039607 /nfs/dbraw/zinc/03/96/07/396039607.db2.gz OYBDUPCYEZTHPK-LBPRGKRZSA-N 0 0 301.368 0.005 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000154974020 396045504 /nfs/dbraw/zinc/04/55/04/396045504.db2.gz ABZVTZUGOLLYTJ-JTQLQIEISA-N 0 0 316.308 0.724 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H](C)NC(C)=O ZINC000261606915 396048584 /nfs/dbraw/zinc/04/85/84/396048584.db2.gz BIWYUJOFHKQYAB-FZMZJTMJSA-N 0 0 305.378 0.693 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000155358978 396050105 /nfs/dbraw/zinc/05/01/05/396050105.db2.gz JFMUXFMLKSZALU-BXUZGUMPSA-N 0 0 321.406 0.861 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000155495516 396052426 /nfs/dbraw/zinc/05/24/26/396052426.db2.gz NZNHLEKDQMZJTL-MNOVXSKESA-N 0 0 322.390 0.878 10 0 DCAERN COc1ccccc1NCC(=O)NC[C@H](C)N1CCOCC1 ZINC000068396222 396054401 /nfs/dbraw/zinc/05/44/01/396054401.db2.gz ZOVJIVLBFFGRCX-ZDUSSCGKSA-N 0 0 307.394 0.944 10 0 DCAERN C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC[S@]1=O ZINC000277231552 396056926 /nfs/dbraw/zinc/05/69/26/396056926.db2.gz SWAOWZFJLPYFPI-GPAUDHNESA-N 0 0 324.450 0.785 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cc(F)ccc1F ZINC000155883762 396058918 /nfs/dbraw/zinc/05/89/18/396058918.db2.gz KZUBRLGDUYWPNL-UHFFFAOYSA-N 0 0 311.288 0.911 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000068629824 396060907 /nfs/dbraw/zinc/06/09/07/396060907.db2.gz NQFBMVRSQFKCJM-XQQFMLRXSA-N 0 0 314.430 0.310 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000249142162 396003333 /nfs/dbraw/zinc/00/33/33/396003333.db2.gz WHOSMWGTNMGADV-STQMWFEESA-N 0 0 314.430 0.215 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000249142159 396003859 /nfs/dbraw/zinc/00/38/59/396003859.db2.gz WHOSMWGTNMGADV-QWHCGFSZSA-N 0 0 314.430 0.215 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000249590887 396009907 /nfs/dbraw/zinc/00/99/07/396009907.db2.gz PBOWQGYSAKBINN-FPMFFAJLSA-N 0 0 319.409 0.890 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000170816423 396098916 /nfs/dbraw/zinc/09/89/16/396098916.db2.gz GAHYPHXXJJYVAR-NSHDSACASA-N 0 0 306.366 0.791 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000070694035 396103196 /nfs/dbraw/zinc/10/31/96/396103196.db2.gz KTBBSDYTZDDPFL-PMPSAXMXSA-N 0 0 323.437 0.757 10 0 DCAERN O=C(NCCCn1ccnc1)N1CCN(c2cccnn2)CC1 ZINC000171002280 396103369 /nfs/dbraw/zinc/10/33/69/396103369.db2.gz CVLXLGZADRCIHR-UHFFFAOYSA-N 0 0 315.381 0.595 10 0 DCAERN CCOc1ccccc1CCC(=O)NCC(=O)NCCOC ZINC000071057625 396109411 /nfs/dbraw/zinc/10/94/11/396109411.db2.gz UURXYTOHORVQBG-UHFFFAOYSA-N 0 0 308.378 0.897 10 0 DCAERN C[C@H](CNC(=O)NCCCc1cnn(C)c1)N1CCOCC1 ZINC000171331316 396114485 /nfs/dbraw/zinc/11/44/85/396114485.db2.gz ZNCFBWIRXLCLDS-CYBMUJFWSA-N 0 0 309.414 0.373 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171579415 396119757 /nfs/dbraw/zinc/11/97/57/396119757.db2.gz ONDOGGKAHBRSSG-RYUDHWBXSA-N 0 0 307.398 0.992 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 ZINC000171604714 396119868 /nfs/dbraw/zinc/11/98/68/396119868.db2.gz GSHYSHWGGFNUKZ-UHFFFAOYSA-N 0 0 304.350 0.677 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CCN(C)C2=O)cc1 ZINC000278414932 396123274 /nfs/dbraw/zinc/12/32/74/396123274.db2.gz WIOSPHFKVKCWSV-AWEZNQCLSA-N 0 0 303.362 0.972 10 0 DCAERN O=C(NCc1ccc2c(c1)OCO2)N[C@H]1CCc2ncnn2C1 ZINC000171843981 396126098 /nfs/dbraw/zinc/12/60/98/396126098.db2.gz NINPJBJEVFXJTN-NSHDSACASA-N 0 0 315.333 0.821 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3COCCO3)CC2)s1 ZINC000171863095 396126730 /nfs/dbraw/zinc/12/67/30/396126730.db2.gz BNGCQGNJDUPTMR-ZDUSSCGKSA-N 0 0 311.407 0.511 10 0 DCAERN Cc1cnn(CCNC(=O)c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000172126310 396128781 /nfs/dbraw/zinc/12/87/81/396128781.db2.gz DMAHVEUIKAFSEH-UHFFFAOYSA-N 0 0 322.390 0.577 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000172263973 396130457 /nfs/dbraw/zinc/13/04/57/396130457.db2.gz UPCITEHTCRQPRG-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)CCS1(=O)=O ZINC000174459483 396138698 /nfs/dbraw/zinc/13/86/98/396138698.db2.gz XQMKCUJMSVYYPJ-JTQLQIEISA-N 0 0 312.395 0.944 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000162017884 396078117 /nfs/dbraw/zinc/07/81/17/396078117.db2.gz YGZJXWCSJKFXND-LBPRGKRZSA-N 0 0 322.340 0.092 10 0 DCAERN O=C(COC1CCOCC1)N1CCNC[C@H]1c1cccnc1 ZINC000261938174 396082029 /nfs/dbraw/zinc/08/20/29/396082029.db2.gz KDTWMYPFLIAXOU-HNNXBMFYSA-N 0 0 305.378 0.750 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000178750932 396206979 /nfs/dbraw/zinc/20/69/79/396206979.db2.gz LSHMRSFCVQCKDL-JTQLQIEISA-N 0 0 307.354 0.370 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 ZINC000077139213 396212883 /nfs/dbraw/zinc/21/28/83/396212883.db2.gz HTBYBNOALGHVSQ-QWRGUYRKSA-N 0 0 312.391 0.844 10 0 DCAERN CCc1nc(CN2CCN(c3cc(OC)ncn3)CC2)no1 ZINC000178812381 396209594 /nfs/dbraw/zinc/20/95/94/396209594.db2.gz GROXARFOVXUZNL-UHFFFAOYSA-N 0 0 304.354 0.753 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@@H](CO)c2ccccc2)n1 ZINC000176078431 396148984 /nfs/dbraw/zinc/14/89/84/396148984.db2.gz ZZFTUWLFAUFYKC-ZDUSSCGKSA-N 0 0 304.350 0.996 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000176332689 396153621 /nfs/dbraw/zinc/15/36/21/396153621.db2.gz XSBFVBOTLLBNBR-LBPRGKRZSA-N 0 0 308.382 0.536 10 0 DCAERN CC(C)[C@H](CNC(=O)CN1CC(=O)NC1=O)c1cccnc1 ZINC000176343195 396154029 /nfs/dbraw/zinc/15/40/29/396154029.db2.gz QYQAEYXBJDSFCN-LBPRGKRZSA-N 0 0 304.350 0.489 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)NC[C@@]1(O)CCSC1 ZINC000176295174 396154106 /nfs/dbraw/zinc/15/41/06/396154106.db2.gz RSEVQPUATKCVLY-AWEZNQCLSA-N 0 0 314.382 0.985 10 0 DCAERN O=C(NC[C@@H]1CSCCS1)N[C@@H]1CCc2ncnn2C1 ZINC000176534024 396156551 /nfs/dbraw/zinc/15/65/51/396156551.db2.gz CWYLBKJPSPVZJZ-NXEZZACHSA-N 0 0 313.452 0.741 10 0 DCAERN Cc1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)n1 ZINC000176763546 396160993 /nfs/dbraw/zinc/16/09/93/396160993.db2.gz ZQNAKTKLKGHOHT-NSHDSACASA-N 0 0 312.395 0.854 10 0 DCAERN NC(=O)N1CCCc2ccc(NC(=O)[C@H]3CNC(=O)C3)cc21 ZINC000279276247 396162872 /nfs/dbraw/zinc/16/28/72/396162872.db2.gz ZUJYVQOFSYIPKN-SNVBAGLBSA-N 0 0 302.334 0.593 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)c1cnn(C)c1 ZINC000177176247 396168036 /nfs/dbraw/zinc/16/80/36/396168036.db2.gz PUBCUICPKIUBAS-CYBMUJFWSA-N 0 0 301.350 0.799 10 0 DCAERN C[C@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1N1CCOCC1 ZINC000177230609 396169850 /nfs/dbraw/zinc/16/98/50/396169850.db2.gz AJUDANLRIVVWKV-ZFWWWQNUSA-N 0 0 301.394 0.882 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1N1CCOCC1 ZINC000177235270 396170224 /nfs/dbraw/zinc/17/02/24/396170224.db2.gz BFOZJZDFMMQQRE-OLZOCXBDSA-N 0 0 324.450 0.758 10 0 DCAERN CNC(=O)c1ccc(NC[C@H](O)c2cccc(OC)c2)nn1 ZINC000074750294 396171434 /nfs/dbraw/zinc/17/14/34/396171434.db2.gz REFLQUHYGUGXBT-ZDUSSCGKSA-N 0 0 302.334 0.990 10 0 DCAERN CCN(CC)C(=O)C1CCN(c2ccc(C(=O)NC)nn2)CC1 ZINC000074744683 396171475 /nfs/dbraw/zinc/17/14/75/396171475.db2.gz GCJSNIJSLFBNJS-UHFFFAOYSA-N 0 0 319.409 0.921 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCn4ccnc4C3)cc2[nH]1 ZINC000074785447 396171915 /nfs/dbraw/zinc/17/19/15/396171915.db2.gz OTGOSJXTERDKAW-UHFFFAOYSA-N 0 0 319.346 0.257 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177617144 396179268 /nfs/dbraw/zinc/17/92/68/396179268.db2.gz MGVPDZGCXQIYHG-UWVGGRQHSA-N 0 0 309.395 0.541 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCCn3ncnc32)cs1 ZINC000177590700 396179449 /nfs/dbraw/zinc/17/94/49/396179449.db2.gz BNUPYZZZTCOZAM-MRVPVSSYSA-N 0 0 306.351 0.958 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccn(C)n3)C2)c1 ZINC000177670862 396181033 /nfs/dbraw/zinc/18/10/33/396181033.db2.gz DCMGNTHAKJRKRK-LBPRGKRZSA-N 0 0 316.365 0.727 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000178008002 396187439 /nfs/dbraw/zinc/18/74/39/396187439.db2.gz CCAHHZHDBCIMDP-SNVBAGLBSA-N 0 0 301.350 0.731 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CSC(C)(C)C)CCO1 ZINC000262874359 396189204 /nfs/dbraw/zinc/18/92/04/396189204.db2.gz DJKDWPAICYNOLE-NSHDSACASA-N 0 0 318.439 0.762 10 0 DCAERN C[C@](NC(=O)[C@@H]1CNC(=O)C1)(C(N)=O)c1cccc(Cl)c1 ZINC000178153408 396190133 /nfs/dbraw/zinc/19/01/33/396190133.db2.gz HSWSASHAIKVUBV-RMLUDKJBSA-N 0 0 309.753 0.293 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C[C@H](C)O1 ZINC000262919793 396192397 /nfs/dbraw/zinc/19/23/97/396192397.db2.gz GSNUDURNEXVXKA-GRYCIOLGSA-N 0 0 319.396 0.988 10 0 DCAERN O=C(CN1CCOC[C@H]1C[C@@H](O)c1ccco1)NCC1CC1 ZINC000178401884 396195669 /nfs/dbraw/zinc/19/56/69/396195669.db2.gz LUUCCHQLQLPJKR-ZIAGYGMSSA-N 0 0 308.378 0.930 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263015890 396197806 /nfs/dbraw/zinc/19/78/06/396197806.db2.gz QJQVLZXACMVZFY-NSHDSACASA-N 0 0 303.353 0.747 10 0 DCAERN O=C(C1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1)N1CCCC1 ZINC000263010705 396198006 /nfs/dbraw/zinc/19/80/06/396198006.db2.gz PREKQGLAMGJXCJ-LBPRGKRZSA-N 0 0 315.364 0.845 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCCCc2ccccn2)o1 ZINC000178607342 396201232 /nfs/dbraw/zinc/20/12/32/396201232.db2.gz AMMSZDYHUZWODW-UHFFFAOYSA-N 0 0 323.374 0.945 10 0 DCAERN COCCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000180969750 396236407 /nfs/dbraw/zinc/23/64/07/396236407.db2.gz MFYCSOJJGBMLRA-UHFFFAOYSA-N 0 0 303.384 0.042 10 0 DCAERN C[C@H]1NC(=S)N([C@H]2CCCN(c3cccnc3)C2=O)C1=O ZINC000181282642 396237895 /nfs/dbraw/zinc/23/78/95/396237895.db2.gz LFRVKSMIYMMTTP-KOLCDFICSA-N 0 0 304.375 0.682 10 0 DCAERN COc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181786506 396242382 /nfs/dbraw/zinc/24/23/82/396242382.db2.gz MDNURLWLKZUQIZ-UHFFFAOYSA-N 0 0 303.322 0.432 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181777968 396242406 /nfs/dbraw/zinc/24/24/06/396242406.db2.gz GOMRCUSOHQIRBF-UHFFFAOYSA-N 0 0 321.312 0.571 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)C(=O)NCc1ccco1 ZINC000182385194 396249392 /nfs/dbraw/zinc/24/93/92/396249392.db2.gz RVCQCXRDGHWPOV-NSHDSACASA-N 0 0 320.353 0.265 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000264119659 396256351 /nfs/dbraw/zinc/25/63/51/396256351.db2.gz CBZDHCAJMHDJOZ-CABZTGNLSA-N 0 0 317.345 0.757 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)NCCCn1ccnn1 ZINC000182923298 396256574 /nfs/dbraw/zinc/25/65/74/396256574.db2.gz VDRHKUOBZZCWGS-ZDUSSCGKSA-N 0 0 307.398 0.966 10 0 DCAERN O=C(COCCOc1ccccc1)NCCCn1ccnn1 ZINC000182906521 396256612 /nfs/dbraw/zinc/25/66/12/396256612.db2.gz ISEJCFBWTUCFOS-UHFFFAOYSA-N 0 0 304.350 0.880 10 0 DCAERN CC(C)[C@@H](NC(=O)c1ccc(F)cn1)C(=O)N1CCOCC1 ZINC000183053167 396259868 /nfs/dbraw/zinc/25/98/68/396259868.db2.gz ILQXHPDOHSTKFJ-CYBMUJFWSA-N 0 0 309.341 0.834 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000079048958 396260245 /nfs/dbraw/zinc/26/02/45/396260245.db2.gz DOEBJLQPGJAZDI-MNOVXSKESA-N 0 0 318.381 0.457 10 0 DCAERN COc1ccc(S(=O)(=O)NCCCn2ccnn2)cc1F ZINC000183168740 396263878 /nfs/dbraw/zinc/26/38/78/396263878.db2.gz UFYUDFWKWURJRR-UHFFFAOYSA-N 0 0 314.342 0.794 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1-n1cnnn1 ZINC000183277404 396265806 /nfs/dbraw/zinc/26/58/06/396265806.db2.gz LDHZVEIJDAVHAC-VHSXEESVSA-N 0 0 305.338 0.418 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCCC4(C3)OCCO4)cc21 ZINC000183384263 396268953 /nfs/dbraw/zinc/26/89/53/396268953.db2.gz WEGQEABDZRWQLR-UHFFFAOYSA-N 0 0 302.334 0.947 10 0 DCAERN O=C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)NCC1CC1 ZINC000183773901 396274488 /nfs/dbraw/zinc/27/44/88/396274488.db2.gz ZACAYQIETIBVCF-HIFRSBDPSA-N 0 0 303.362 0.470 10 0 DCAERN CCN(CC)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000080067977 396274530 /nfs/dbraw/zinc/27/45/30/396274530.db2.gz NDXSYHZNHWIRLM-UHFFFAOYSA-N 0 0 306.414 0.650 10 0 DCAERN C[C@H](NC(=O)NCC(=O)NCC1CC1)[C@@H](O)Cc1ccccc1 ZINC000183798877 396275528 /nfs/dbraw/zinc/27/55/28/396275528.db2.gz BJCNYWSGKYXWQK-WFASDCNBSA-N 0 0 319.405 0.804 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000183910331 396277280 /nfs/dbraw/zinc/27/72/80/396277280.db2.gz PMKOTZVWFFRLIZ-NWDGAFQWSA-N 0 0 303.428 0.597 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000282290638 396277819 /nfs/dbraw/zinc/27/78/19/396277819.db2.gz YJTGBEKKNZPMGJ-GXFFZTMASA-N 0 0 316.361 0.613 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000183942362 396278470 /nfs/dbraw/zinc/27/84/70/396278470.db2.gz AIXQPDXFXLPVRP-NSHDSACASA-N 0 0 306.318 0.949 10 0 DCAERN C[C@@H](O)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000178906423 396213676 /nfs/dbraw/zinc/21/36/76/396213676.db2.gz TYNKTFNGYWXZLM-LLVKDONJSA-N 0 0 312.391 0.863 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000077160611 396214084 /nfs/dbraw/zinc/21/40/84/396214084.db2.gz DVVDWTYFILQVPG-WPRPVWTQSA-N 0 0 318.420 0.676 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCCCc1ccccn1 ZINC000178914778 396214293 /nfs/dbraw/zinc/21/42/93/396214293.db2.gz MPGTUPYFIFGMOD-UHFFFAOYSA-N 0 0 300.380 0.887 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCCc2ccccn2)co1 ZINC000178986036 396217770 /nfs/dbraw/zinc/21/77/70/396217770.db2.gz GICJJGLFBGJFSF-UHFFFAOYSA-N 0 0 309.347 0.685 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCc1cnn(C)c1C ZINC000184019433 396280674 /nfs/dbraw/zinc/28/06/74/396280674.db2.gz JONXPYJNRCAFIR-UHFFFAOYSA-N 0 0 320.353 0.960 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC(F)(F)CO)C2)cn1 ZINC000184990977 396313324 /nfs/dbraw/zinc/31/33/24/396313324.db2.gz OXQRXGUOYVGJRW-JTQLQIEISA-N 0 0 317.340 0.316 10 0 DCAERN CC(C)[C@@H](NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(N)=O ZINC000184991146 396313404 /nfs/dbraw/zinc/31/34/04/396313404.db2.gz CYJWILRGIQYYBG-WCQYABFASA-N 0 0 322.413 0.198 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)NCCCn1ccnn1 ZINC000185002853 396313843 /nfs/dbraw/zinc/31/38/43/396313843.db2.gz XUEQBNHPSPIFTJ-LBPRGKRZSA-N 0 0 305.386 0.809 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc[nH]c(=O)c1 ZINC000185032649 396315285 /nfs/dbraw/zinc/31/52/85/396315285.db2.gz DMWNFSPTLVCWII-CYBMUJFWSA-N 0 0 312.329 0.695 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1nc(-c2ccco2)cs1 ZINC000185183250 396320960 /nfs/dbraw/zinc/32/09/60/396320960.db2.gz AILAUZVSZUHMEY-ZJUUUORDSA-N 0 0 323.374 0.769 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000185092256 396317507 /nfs/dbraw/zinc/31/75/07/396317507.db2.gz JQOQTHMJNLLPSH-ZDUSSCGKSA-N 0 0 300.305 0.445 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000283194274 396317863 /nfs/dbraw/zinc/31/78/63/396317863.db2.gz FZVLIEMVMSAYMI-RYUDHWBXSA-N 0 0 319.409 0.982 10 0 DCAERN CN(CCCOc1ccccc1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185137915 396318673 /nfs/dbraw/zinc/31/86/73/396318673.db2.gz AGYKTCPJLYUROX-HUUCEWRRSA-N 0 0 322.405 0.341 10 0 DCAERN COc1cc(N2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)ncn1 ZINC000184068804 396283780 /nfs/dbraw/zinc/28/37/80/396283780.db2.gz WJUWSNJMKQLERB-LBPRGKRZSA-N 0 0 321.425 0.910 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCN(c2cccs2)C(=O)C1 ZINC000184077756 396284473 /nfs/dbraw/zinc/28/44/73/396284473.db2.gz KKTHZZZJUPFDLF-GFCCVEGCSA-N 0 0 324.402 0.976 10 0 DCAERN CC(=O)NCC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000184142234 396287046 /nfs/dbraw/zinc/28/70/46/396287046.db2.gz MMCGXOZYLGFBLK-UHFFFAOYSA-N 0 0 319.409 0.693 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241659 396289284 /nfs/dbraw/zinc/28/92/84/396289284.db2.gz ZZQUMTPPZFEWNW-HNNXBMFYSA-N 0 0 319.405 0.903 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000184238951 396289297 /nfs/dbraw/zinc/28/92/97/396289297.db2.gz TYSLJVUNBSXTAY-OAHLLOKOSA-N 0 0 312.341 0.459 10 0 DCAERN CC1(C)NC(=O)N(CCN2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000081047833 396292241 /nfs/dbraw/zinc/29/22/41/396292241.db2.gz YAOKQSOQTWQPDI-LLVKDONJSA-N 0 0 309.288 0.316 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000184429023 396295421 /nfs/dbraw/zinc/29/54/21/396295421.db2.gz VPYVEEMXLQQWEP-GFCCVEGCSA-N 0 0 318.381 0.650 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCCN1c1cccc(F)c1 ZINC000184742814 396305072 /nfs/dbraw/zinc/30/50/72/396305072.db2.gz HRYAWBJOBPKTKM-RBSFLKMASA-N 0 0 308.353 0.749 10 0 DCAERN Cn1cccc1-c1nnc(N2CCO[C@@]3(CCOC3)C2)n1C ZINC000283085087 396306038 /nfs/dbraw/zinc/30/60/38/396306038.db2.gz HSWGAOPMLUVABC-HNNXBMFYSA-N 0 0 303.366 0.816 10 0 DCAERN C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1N1CCOCC1 ZINC000184829605 396308037 /nfs/dbraw/zinc/30/80/37/396308037.db2.gz DXMLXQZKDGHKAI-ZFWWWQNUSA-N 0 0 321.425 0.697 10 0 DCAERN COCCCCS(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000185456514 396327966 /nfs/dbraw/zinc/32/79/66/396327966.db2.gz FDLJEZZEFRZXCD-UHFFFAOYSA-N 0 0 316.427 0.747 10 0 DCAERN CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000185183555 396321252 /nfs/dbraw/zinc/32/12/52/396321252.db2.gz SROYZIJADAJDMI-LBPRGKRZSA-N 0 0 300.380 0.195 10 0 DCAERN Cc1noc([C@H](C)N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185258843 396323118 /nfs/dbraw/zinc/32/31/18/396323118.db2.gz NOTZUEWAAPJAQG-JTQLQIEISA-N 0 0 321.385 0.706 10 0 DCAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1nccs1 ZINC000185481857 396328985 /nfs/dbraw/zinc/32/89/85/396328985.db2.gz ZQPMBGDIFWGBNC-JTQLQIEISA-N 0 0 312.395 0.751 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284356976 396345117 /nfs/dbraw/zinc/34/51/17/396345117.db2.gz CDJSOPUVRMCVGS-LBPRGKRZSA-N 0 0 312.326 0.226 10 0 DCAERN COCCn1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cn1 ZINC000186213001 396345181 /nfs/dbraw/zinc/34/51/81/396345181.db2.gz DMEFHVHEEIDWMH-CYBMUJFWSA-N 0 0 318.381 0.789 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000284808509 396346892 /nfs/dbraw/zinc/34/68/92/396346892.db2.gz AZFOJOVYQNVKHN-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000186097920 396341042 /nfs/dbraw/zinc/34/10/42/396341042.db2.gz KZPYDMUYQSYEPG-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN O=C(CCN1CCN(c2cccs2)C(=O)C1)N1CCOCC1 ZINC000186110276 396341274 /nfs/dbraw/zinc/34/12/74/396341274.db2.gz QDJQHHSQRVZFCE-UHFFFAOYSA-N 0 0 323.418 0.646 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)C(=O)N1CCCC[C@H]1C ZINC000283709376 396343669 /nfs/dbraw/zinc/34/36/69/396343669.db2.gz JKNDOGPBIJVCGR-WOPDTQHZSA-N 0 0 319.409 0.815 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000285792000 396354426 /nfs/dbraw/zinc/35/44/26/396354426.db2.gz FLDWPOUPVAZPJP-GJZGRUSLSA-N 0 0 320.393 0.512 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000186797178 396358215 /nfs/dbraw/zinc/35/82/15/396358215.db2.gz DDEQDUWLSFXWQG-NSHDSACASA-N 0 0 317.345 0.628 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000268133729 396358980 /nfs/dbraw/zinc/35/89/80/396358980.db2.gz UCALYTOIZCNKHS-RXMQYKEDSA-N 0 0 313.276 0.766 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000187810307 396374828 /nfs/dbraw/zinc/37/48/28/396374828.db2.gz DDXHOAAPBCSLHD-WDEREUQCSA-N 0 0 304.354 0.885 10 0 DCAERN O=C1COc2cc(NS(=O)(=O)N3CCOCC3)ccc2N1 ZINC000268783969 396372158 /nfs/dbraw/zinc/37/21/58/396372158.db2.gz RDCMNVAJOGDDMT-UHFFFAOYSA-N 0 0 313.335 0.006 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCCN(c2ccccn2)CC1 ZINC000186400442 396349320 /nfs/dbraw/zinc/34/93/20/396349320.db2.gz AHUXKPWHPFTMBH-CYBMUJFWSA-N 0 0 302.378 0.647 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCOCC2 ZINC000186469391 396350565 /nfs/dbraw/zinc/35/05/65/396350565.db2.gz BMUNHEHWBFNSTO-OLZOCXBDSA-N 0 0 308.382 0.759 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2CSc3ccccc32)[C@@H]1C(N)=O ZINC000285674762 396351350 /nfs/dbraw/zinc/35/13/50/396351350.db2.gz YQCFYVINFHKINR-CDMKHQONSA-N 0 0 306.387 0.977 10 0 DCAERN C[C@@]1(O)CCN(C(=O)NCc2cccnc2-n2cccn2)C1 ZINC000188346914 396381731 /nfs/dbraw/zinc/38/17/31/396381731.db2.gz IWAGPRVSOCRQFD-OAHLLOKOSA-N 0 0 301.350 0.934 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000188660410 396384388 /nfs/dbraw/zinc/38/43/88/396384388.db2.gz FLAOEWQGQRXXLL-UHFFFAOYSA-N 0 0 302.378 0.599 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000188764930 396385492 /nfs/dbraw/zinc/38/54/92/396385492.db2.gz PJRWLADYWCCLEN-VXGBXAGGSA-N 0 0 306.366 0.694 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CCN1CCO ZINC000188794761 396386645 /nfs/dbraw/zinc/38/66/45/396386645.db2.gz DNFMGKLJFBGEBU-XMHCIUCPSA-N 0 0 324.446 0.704 10 0 DCAERN COc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)c(OC)c1 ZINC000188811678 396387342 /nfs/dbraw/zinc/38/73/42/396387342.db2.gz RRMJAVHVODRODM-GFCCVEGCSA-N 0 0 308.378 0.842 10 0 DCAERN C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)CCN1CCO ZINC000188808105 396387552 /nfs/dbraw/zinc/38/75/52/396387552.db2.gz OZDVJXVOZMYFPS-LLVKDONJSA-N 0 0 314.332 0.869 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188929312 396388401 /nfs/dbraw/zinc/38/84/01/396388401.db2.gz HCOQCBYQYGIANU-NWDGAFQWSA-N 0 0 318.377 0.934 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)C(=O)Nc2ccon2)CC1 ZINC000188921591 396388637 /nfs/dbraw/zinc/38/86/37/396388637.db2.gz QUOHWIAEKOQGJB-UHFFFAOYSA-N 0 0 317.349 0.828 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189331592 396394496 /nfs/dbraw/zinc/39/44/96/396394496.db2.gz LAGWPJJJOYLULK-CYBMUJFWSA-N 0 0 319.405 0.864 10 0 DCAERN CN1CCCN(C(=O)CCNC(=O)Cc2ccccc2)CC1=O ZINC000189799744 396399477 /nfs/dbraw/zinc/39/94/77/396399477.db2.gz VEOJKESDNFYJFX-UHFFFAOYSA-N 0 0 317.389 0.426 10 0 DCAERN Cc1cc(N2CCN(C(=O)C=Cc3ccnn3C)CC2)n[nH]1 ZINC000189780253 396399679 /nfs/dbraw/zinc/39/96/79/396399679.db2.gz FQBUVLBBGOWJPH-ONEGZZNKSA-N 0 0 300.366 0.814 10 0 DCAERN CN(CC(C)(C)O)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000189970983 396400954 /nfs/dbraw/zinc/40/09/54/396400954.db2.gz GVOPHRWZCBRVNV-UHFFFAOYSA-N 0 0 318.333 0.904 10 0 DCAERN COc1cc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)ncn1 ZINC000189977272 396401273 /nfs/dbraw/zinc/40/12/73/396401273.db2.gz CHMPAHQGBKYMAG-SNVBAGLBSA-N 0 0 320.315 0.921 10 0 DCAERN CCN1CN(C(=O)CCc2nc(-c3ccco3)no2)CC1=O ZINC000190565771 396408099 /nfs/dbraw/zinc/40/80/99/396408099.db2.gz DNIKYFUSZFKQJW-UHFFFAOYSA-N 0 0 304.306 0.910 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1=O ZINC000190577137 396408112 /nfs/dbraw/zinc/40/81/12/396408112.db2.gz NZJZHAMGGLZLCV-UHFFFAOYSA-N 0 0 303.362 0.681 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc(OC)c(F)c2C)CC1=O ZINC000190653335 396409390 /nfs/dbraw/zinc/40/93/90/396409390.db2.gz PNXQZWZVIJOTFY-UHFFFAOYSA-N 0 0 316.354 0.953 10 0 DCAERN COCCN1CCCN(Cc2nnc(C3CCC3)n2C)CC1=O ZINC000190796109 396411700 /nfs/dbraw/zinc/41/17/00/396411700.db2.gz LKVSFGIKWIDBLR-UHFFFAOYSA-N 0 0 321.425 0.763 10 0 DCAERN CO[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000190829286 396411704 /nfs/dbraw/zinc/41/17/04/396411704.db2.gz WXBMFADXTJXGCE-WCQYABFASA-N 0 0 306.366 0.911 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000287629594 396412851 /nfs/dbraw/zinc/41/28/51/396412851.db2.gz UEAKPJHNFTXQMC-HUUCEWRRSA-N 0 0 320.393 0.721 10 0 DCAERN COc1ccc(CN(C)C(=O)CN2CCCN(C)C(=O)C2)cc1 ZINC000191100812 396415937 /nfs/dbraw/zinc/41/59/37/396415937.db2.gz FHQWFQNHWSHDRA-UHFFFAOYSA-N 0 0 319.405 0.818 10 0 DCAERN COCCC[C@H](C)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191215011 396416808 /nfs/dbraw/zinc/41/68/08/396416808.db2.gz RBTOWKGWGVDHGY-ZDUSSCGKSA-N 0 0 300.399 0.756 10 0 DCAERN CCCC(=O)NCC(=O)NC[C@@]1(O)C[C@H](OCC)C1(C)C ZINC000191703749 396423508 /nfs/dbraw/zinc/42/35/08/396423508.db2.gz PTSBQJFDWGZAKO-NHYWBVRUSA-N 0 0 300.399 0.585 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000191942478 396427630 /nfs/dbraw/zinc/42/76/30/396427630.db2.gz YAIPGTLVIOJIBQ-UHFFFAOYSA-N 0 0 305.382 0.521 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192027341 396428540 /nfs/dbraw/zinc/42/85/40/396428540.db2.gz KSUZHGCTYAJJRE-VHSXEESVSA-N 0 0 315.399 0.138 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000192055619 396429526 /nfs/dbraw/zinc/42/95/26/396429526.db2.gz QJHXMUTXXHKPIM-LSDHHAIUSA-N 0 0 318.373 0.734 10 0 DCAERN CCOC1CC(CNC(=O)N[C@H]2C[C@H]2C)(N2CCOCC2)C1 ZINC000192476153 396431536 /nfs/dbraw/zinc/43/15/36/396431536.db2.gz UPMUAODAOGDJGZ-RXFTYZNJSA-N 0 0 311.426 0.964 10 0 DCAERN O=S(=O)(CCN1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000192712378 396435588 /nfs/dbraw/zinc/43/55/88/396435588.db2.gz VJWDORNDIZVZDF-VXGBXAGGSA-N 0 0 303.355 0.027 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000192890155 396439444 /nfs/dbraw/zinc/43/94/44/396439444.db2.gz HMNGOONKRAKCJL-UHFFFAOYSA-N 0 0 304.412 0.328 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000192899552 396439621 /nfs/dbraw/zinc/43/96/21/396439621.db2.gz HMTVJEDYROJCHG-SNVBAGLBSA-N 0 0 324.406 0.942 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)n1 ZINC000188075073 396378189 /nfs/dbraw/zinc/37/81/89/396378189.db2.gz RVRLWVBOFOXTAC-BPLDGKMQSA-N 0 0 323.393 0.938 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@@H]2C)cn1 ZINC000372191545 396496652 /nfs/dbraw/zinc/49/66/52/396496652.db2.gz JZOCCAUATRUWED-JTQLQIEISA-N 0 0 313.379 0.241 10 0 DCAERN CC[C@H]1CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000291860252 396516106 /nfs/dbraw/zinc/51/61/06/396516106.db2.gz FDMPNGDZIVNCAN-QMMMGPOBSA-N 0 0 324.362 0.207 10 0 DCAERN Cc1nnc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n1C1CC1 ZINC000580883173 396507089 /nfs/dbraw/zinc/50/70/89/396507089.db2.gz IFAHVBZSTRLBGD-OAHLLOKOSA-N 0 0 317.349 0.473 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1[C@H]1COc2ccc(F)cc2C1 ZINC000288689038 396448103 /nfs/dbraw/zinc/44/81/03/396448103.db2.gz JSFBARLTNBCLOE-IAQYHMDHSA-N 0 0 306.293 0.840 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000193283756 396448190 /nfs/dbraw/zinc/44/81/90/396448190.db2.gz DNPCDHUKIYVUMD-GFCCVEGCSA-N 0 0 306.366 0.084 10 0 DCAERN CCn1ncnc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000193299861 396449044 /nfs/dbraw/zinc/44/90/44/396449044.db2.gz UQKLZPQJBMQUHW-CYBMUJFWSA-N 0 0 307.398 0.369 10 0 DCAERN Cn1nnc(CN2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000193355442 396449546 /nfs/dbraw/zinc/44/95/46/396449546.db2.gz ZKTHZCFQBBXNRY-UHFFFAOYSA-N 0 0 318.429 0.479 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c(C)s1 ZINC000288975435 396451654 /nfs/dbraw/zinc/45/16/54/396451654.db2.gz RDPJNMYMKHLRGL-UHFFFAOYSA-N 0 0 315.420 0.763 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@H](F)C[C@H]2CO)c1C ZINC000372419540 396516775 /nfs/dbraw/zinc/51/67/75/396516775.db2.gz CVKRAHFXHBSAEH-MNOVXSKESA-N 0 0 305.375 0.613 10 0 DCAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cn[nH]c1 ZINC000270327548 396464621 /nfs/dbraw/zinc/46/46/21/396464621.db2.gz LQMPBADZHNXXPG-OBJOEFQTSA-N 0 0 307.398 0.833 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371836111 396478114 /nfs/dbraw/zinc/47/81/14/396478114.db2.gz XCUQIQNVCWBYCE-NSHDSACASA-N 0 0 307.325 0.307 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371835509 396478204 /nfs/dbraw/zinc/47/82/04/396478204.db2.gz TYICNQYXNWUZKQ-ZDUSSCGKSA-N 0 0 321.352 0.616 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000371833648 396478226 /nfs/dbraw/zinc/47/82/26/396478226.db2.gz CBJXYDYLXTVXER-CQSZACIVSA-N 0 0 317.389 0.785 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371953118 396480715 /nfs/dbraw/zinc/48/07/15/396480715.db2.gz JNOWDSITOZQDOP-LAJNKCICSA-N 0 0 317.455 0.260 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000371952752 396480977 /nfs/dbraw/zinc/48/09/77/396480977.db2.gz IBQLEIBKHOOTJV-GFCCVEGCSA-N 0 0 300.355 0.531 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000373027870 396560950 /nfs/dbraw/zinc/56/09/50/396560950.db2.gz WZLOTKIQZSRQDX-FRRDWIJNSA-N 0 0 317.407 0.769 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000373027874 396561084 /nfs/dbraw/zinc/56/10/84/396561084.db2.gz WZLOTKIQZSRQDX-UPJWGTAASA-N 0 0 317.407 0.769 10 0 DCAERN Cn1c2[nH]c(CN3CCCC34CCC4)nc2c(=O)n(C)c1=O ZINC000373105469 396566241 /nfs/dbraw/zinc/56/62/41/396566241.db2.gz YHVIMCWVZVMEAB-UHFFFAOYSA-N 0 0 303.366 0.479 10 0 DCAERN COC[C@@H]1NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000581863682 396587037 /nfs/dbraw/zinc/58/70/37/396587037.db2.gz VVWTXJVOEAVLBT-ZDUSSCGKSA-N 0 0 305.334 0.594 10 0 DCAERN CCc1nnsc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585735651 396651583 /nfs/dbraw/zinc/65/15/83/396651583.db2.gz HNRZEPYYYTYSTE-UHFFFAOYSA-N 0 0 318.424 0.256 10 0 DCAERN Cn1cc(Cl)cc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585736205 396652222 /nfs/dbraw/zinc/65/22/22/396652222.db2.gz QVNDMPLSRGNGOQ-UHFFFAOYSA-N 0 0 319.814 0.834 10 0 DCAERN CCn1nncc1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000293334942 396601308 /nfs/dbraw/zinc/60/13/08/396601308.db2.gz KQBUNEKGGGBEOI-NSHDSACASA-N 0 0 305.382 0.961 10 0 DCAERN O=C([C@@H]1COCCN1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593655 396602248 /nfs/dbraw/zinc/60/22/48/396602248.db2.gz MSEZTZKCWNMXON-AWEZNQCLSA-N 0 0 305.382 0.305 10 0 DCAERN COCCn1nc(C(=O)NCCOCC2CCC2)ccc1=O ZINC000582155712 396602749 /nfs/dbraw/zinc/60/27/49/396602749.db2.gz HAOSOZTYBLWVIW-UHFFFAOYSA-N 0 0 309.366 0.436 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373756836 396612169 /nfs/dbraw/zinc/61/21/69/396612169.db2.gz IHCPHDFDRYWUIJ-NWDGAFQWSA-N 0 0 323.393 0.925 10 0 DCAERN C[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000586584356 396661676 /nfs/dbraw/zinc/66/16/76/396661676.db2.gz CBFZIBBPQDEVNR-LLVKDONJSA-N 0 0 303.428 0.757 10 0 DCAERN C[C@@H](C1CC1)N(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000587123233 396671279 /nfs/dbraw/zinc/67/12/79/396671279.db2.gz GIGCWWOPRYZXOM-NSHDSACASA-N 0 0 303.428 0.852 10 0 DCAERN NC(=O)NC[C@H]1CCCCN1C(=O)c1cn2cccnc2n1 ZINC000587998130 396674325 /nfs/dbraw/zinc/67/43/25/396674325.db2.gz FCNDCCDBZCJLGN-SNVBAGLBSA-N 0 0 302.338 0.392 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC000294560531 396681594 /nfs/dbraw/zinc/68/15/94/396681594.db2.gz OKJUUTGWNOMTSU-LBPRGKRZSA-N 0 0 324.406 0.508 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)[C@H]1CCCC12OCCO2 ZINC000375098361 396711219 /nfs/dbraw/zinc/71/12/19/396711219.db2.gz CWCSRDYSRVYTGD-LLVKDONJSA-N 0 0 306.366 0.774 10 0 DCAERN Cn1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c(=O)[nH]c1=O ZINC000589912292 396728228 /nfs/dbraw/zinc/72/82/28/396728228.db2.gz CYVUEXLLZJTTHT-UHFFFAOYSA-N 0 0 320.330 0.714 10 0 DCAERN C[C@H](c1nccs1)N1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000302206731 396717785 /nfs/dbraw/zinc/71/77/85/396717785.db2.gz WPUZUFUWGMSEFL-SNVBAGLBSA-N 0 0 318.406 0.915 10 0 DCAERN COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)C[C@H](C)O1 ZINC000302546563 396720762 /nfs/dbraw/zinc/72/07/62/396720762.db2.gz IZDVOGFYRILCQA-IHRRRGAJSA-N 0 0 322.409 0.678 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000375603851 396779764 /nfs/dbraw/zinc/77/97/64/396779764.db2.gz SAUFYOMOYWVHKD-WDEREUQCSA-N 0 0 319.365 0.677 10 0 DCAERN Cn1c(=O)ccc2ccc(NS(=O)(=O)N3CCOCC3)cc21 ZINC000563933780 396795778 /nfs/dbraw/zinc/79/57/78/396795778.db2.gz QODMDONQOBAZLB-UHFFFAOYSA-N 0 0 323.374 0.527 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1 ZINC000563436539 396734013 /nfs/dbraw/zinc/73/40/13/396734013.db2.gz ZWWWCOLCHKZIGO-BXUZGUMPSA-N 0 0 313.375 0.660 10 0 DCAERN COc1cc(C)ccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000563505149 396744852 /nfs/dbraw/zinc/74/48/52/396744852.db2.gz FCPWHSNLKRMNLN-MRXNPFEDSA-N 0 0 317.345 0.818 10 0 DCAERN CC1(C)NC(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501946 396772686 /nfs/dbraw/zinc/77/26/86/396772686.db2.gz DIFOWZBAIDMWHC-ZDUSSCGKSA-N 0 0 318.377 0.613 10 0 DCAERN NC(=O)[C@@H]1CCN(CC(=O)NC(=O)NC2CC2)c2ccccc21 ZINC000611154140 396824153 /nfs/dbraw/zinc/82/41/53/396824153.db2.gz AMFAMTZGJNMWEM-GFCCVEGCSA-N 0 0 316.361 0.454 10 0 DCAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)CN1CCCCC1=O ZINC000328643243 396828725 /nfs/dbraw/zinc/82/87/25/396828725.db2.gz YRCRZFTZRNNFAA-CYBMUJFWSA-N 0 0 304.394 0.916 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C(=O)C3=COCCC3)C1)C2 ZINC000328651122 396831086 /nfs/dbraw/zinc/83/10/86/396831086.db2.gz VWAWFNYQZYEARU-UHFFFAOYSA-N 0 0 317.393 0.561 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000611206011 396833734 /nfs/dbraw/zinc/83/37/34/396833734.db2.gz HXPOMMTTYCLRAJ-NSHDSACASA-N 0 0 319.361 0.802 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000329106577 396838894 /nfs/dbraw/zinc/83/88/94/396838894.db2.gz DKYJNAWRIBTZPC-NEPJUHHUSA-N 0 0 306.366 0.913 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000375881136 396839312 /nfs/dbraw/zinc/83/93/12/396839312.db2.gz ZYLGOTULZHZCCF-IOASZLSFSA-N 0 0 314.426 0.519 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170175 396840571 /nfs/dbraw/zinc/84/05/71/396840571.db2.gz JZIARGNAFOQMQS-RWMBFGLXSA-N 0 0 300.424 0.506 10 0 DCAERN CO[C@H]1C[C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000629824762 396851245 /nfs/dbraw/zinc/85/12/45/396851245.db2.gz JEJCDKOWWRNAKH-OTSSQURYSA-N 0 0 304.393 0.550 10 0 DCAERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000375981306 396856200 /nfs/dbraw/zinc/85/62/00/396856200.db2.gz VNTANNOPMOVURA-WUHRBBMRSA-N 0 0 300.424 0.915 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)CCO1 ZINC000376009243 396862244 /nfs/dbraw/zinc/86/22/44/396862244.db2.gz WGYRZAFSRBMGDX-SNVBAGLBSA-N 0 0 318.333 0.670 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000564758037 396864952 /nfs/dbraw/zinc/86/49/52/396864952.db2.gz HTXXXLZZZJFTKU-QWRGUYRKSA-N 0 0 305.396 0.610 10 0 DCAERN O=C(C(F)F)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000376087561 396874074 /nfs/dbraw/zinc/87/40/74/396874074.db2.gz YLHSLNYKEUDERP-UHFFFAOYSA-N 0 0 316.329 0.855 10 0 DCAERN CCOCCONC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000376136052 396880913 /nfs/dbraw/zinc/88/09/13/396880913.db2.gz URTUQNWKEKUWEZ-CQSZACIVSA-N 0 0 302.371 0.934 10 0 DCAERN C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376154173 396885335 /nfs/dbraw/zinc/88/53/35/396885335.db2.gz DCEPLAHSZZNAGT-ZFWWWQNUSA-N 0 0 318.373 0.809 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629933232 396890869 /nfs/dbraw/zinc/89/08/69/396890869.db2.gz ZADMYYNJESOIRE-TZMCWYRMSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332755704 396891501 /nfs/dbraw/zinc/89/15/01/396891501.db2.gz NGEXGXBBRMYZFI-URBCHYCLSA-N 0 0 316.423 0.771 10 0 DCAERN C[C@H](CCNC(=O)C1(N2CCOCC2)CCC1)[S@](C)=O ZINC000611487482 396871241 /nfs/dbraw/zinc/87/12/41/396871241.db2.gz LYZYVKFRAIFUEY-ODXCJYRJSA-N 0 0 302.440 0.515 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000376281144 396905205 /nfs/dbraw/zinc/90/52/05/396905205.db2.gz JYECIZTVMOJUSK-CYZMBNFOSA-N 0 0 312.435 0.917 10 0 DCAERN C[C@@]12CCN(CC(=O)NCC(=O)N3CCCC3)C[C@@H]1C2(F)F ZINC000333032793 396916250 /nfs/dbraw/zinc/91/62/50/396916250.db2.gz QOPIAGOJZLVOKC-SMDDNHRTSA-N 0 0 315.364 0.702 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000376416679 396926053 /nfs/dbraw/zinc/92/60/53/396926053.db2.gz SPFCSJCKPAZLQL-YFKTTZPYSA-N 0 0 315.391 0.221 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@@H]([C@H]3CCCOC3)C2=O)[nH]n1 ZINC000570026071 396936885 /nfs/dbraw/zinc/93/68/85/396936885.db2.gz PONGTICURZCBPE-GVXVVHGQSA-N 0 0 306.366 0.996 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1O ZINC000625593497 396940089 /nfs/dbraw/zinc/94/00/89/396940089.db2.gz BFBUYANPJOVDDJ-ZJUUUORDSA-N 0 0 321.782 0.777 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1F ZINC000625597211 396942457 /nfs/dbraw/zinc/94/24/57/396942457.db2.gz MZSSZVGPZSEYDH-QWRGUYRKSA-N 0 0 305.327 0.262 10 0 DCAERN Cc1ccc(NC(=O)CN2C[C@H](C(N)=O)O[C@@H](C)C2)cc1C ZINC000625739807 396993885 /nfs/dbraw/zinc/99/38/85/396993885.db2.gz SHUBYNXPEAVHMB-GXTWGEPZSA-N 0 0 305.378 0.817 10 0 DCAERN CCc1cnccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676118 397010235 /nfs/dbraw/zinc/01/02/35/397010235.db2.gz OAIAZRHWPSUGPV-LLVKDONJSA-N 0 0 311.407 0.750 10 0 DCAERN CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1 ZINC000572250421 397038360 /nfs/dbraw/zinc/03/83/60/397038360.db2.gz SUQHNGCPCUWMJX-SDDRHHMPSA-N 0 0 301.408 0.996 10 0 DCAERN Cc1ccc(CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cn1 ZINC000618679622 397011419 /nfs/dbraw/zinc/01/14/19/397011419.db2.gz NQMVPRLCGQHTRQ-GFCCVEGCSA-N 0 0 311.407 0.425 10 0 DCAERN Cc1cnc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c1 ZINC000618677709 397011720 /nfs/dbraw/zinc/01/17/20/397011720.db2.gz VTQBUBVJKQKSGF-SNVBAGLBSA-N 0 0 313.379 0.202 10 0 DCAERN Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(=O)[nH]1 ZINC000618679279 397011772 /nfs/dbraw/zinc/01/17/72/397011772.db2.gz GPUIDPLXGAHLAN-SNVBAGLBSA-N 0 0 313.379 0.202 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)s1 ZINC000618682163 397012887 /nfs/dbraw/zinc/01/28/87/397012887.db2.gz ZDALBARPPNKBJT-MRVPVSSYSA-N 0 0 317.436 0.866 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)OCC(C)C ZINC000618754146 397023012 /nfs/dbraw/zinc/02/30/12/397023012.db2.gz DHSISOKFHCAZSB-WOPDTQHZSA-N 0 0 316.398 0.620 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)C1CCC1 ZINC000618824776 397030906 /nfs/dbraw/zinc/03/09/06/397030906.db2.gz IKGWWLLSQOWILC-VWYCJHECSA-N 0 0 313.398 0.931 10 0 DCAERN CS(=O)(=O)CCCN1C(=O)[C@@H]2[C@H]3CCC[C@@H]3CN2C1=O ZINC000349273213 397065799 /nfs/dbraw/zinc/06/57/99/397065799.db2.gz ZLEVAQPKDUVYAP-VWYCJHECSA-N 0 0 300.380 0.484 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000612489749 397071161 /nfs/dbraw/zinc/07/11/61/397071161.db2.gz IMONANRGYVPVBP-YEJXKQKISA-N 0 0 308.403 0.581 10 0 DCAERN COC(=O)[C@H](NC(=O)CN1CCOCC1=O)c1ccccc1F ZINC000619221506 397100421 /nfs/dbraw/zinc/10/04/21/397100421.db2.gz ZGKCWHAMPFYVKD-CQSZACIVSA-N 0 0 324.308 0.015 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000630571326 397048750 /nfs/dbraw/zinc/04/87/50/397048750.db2.gz MCRLCBLOJVSLSJ-KGLIPLIRSA-N 0 0 305.378 0.521 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000612789418 397138444 /nfs/dbraw/zinc/13/84/44/397138444.db2.gz ONTUGBLLBGCOOJ-NZVBXONLSA-N 0 0 319.361 0.464 10 0 DCAERN CCC(CC)NC(=O)c1nnc2n1CCS(=O)(=O)CC2 ZINC000630950683 397146165 /nfs/dbraw/zinc/14/61/65/397146165.db2.gz DZXPOYPUCOTGTP-UHFFFAOYSA-N 0 0 300.384 0.167 10 0 DCAERN C[S@](=O)c1ccc(CC(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000619551933 397148568 /nfs/dbraw/zinc/14/85/68/397148568.db2.gz ZPQMGBGXYOSEEC-QFIPXVFZSA-N 0 0 320.414 0.800 10 0 DCAERN O=C(NCCOc1cccc(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000360356115 397161590 /nfs/dbraw/zinc/16/15/90/397161590.db2.gz SYJRYYWQTSOJMW-AWEZNQCLSA-N 0 0 323.368 0.931 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ncnc3onc(C)c32)CC1 ZINC000619697474 397175936 /nfs/dbraw/zinc/17/59/36/397175936.db2.gz SPQHCQJJKMZAFM-UHFFFAOYSA-N 0 0 319.365 1.000 10 0 DCAERN CC(=O)CSCC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598159310 397180975 /nfs/dbraw/zinc/18/09/75/397180975.db2.gz RDPUZGHLTOUVDR-AWEZNQCLSA-N 0 0 317.407 0.926 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2cccc(CC(=O)OC)c2)C1=O ZINC000619801877 397195152 /nfs/dbraw/zinc/19/51/52/397195152.db2.gz POEHUWOVSZBYHC-CYBMUJFWSA-N 0 0 304.346 0.753 10 0 DCAERN COCCN1CC(=O)N([C@H]2CCCN(c3ccccn3)C2)C1=O ZINC000378515631 397250528 /nfs/dbraw/zinc/25/05/28/397250528.db2.gz GWZINZFMDAIUBB-ZDUSSCGKSA-N 0 0 318.377 0.961 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H]1CCS(=O)(=O)C1 ZINC000364902206 397247081 /nfs/dbraw/zinc/24/70/81/397247081.db2.gz NUFVAEKODGDULR-LPWJVIDDSA-N 0 0 301.408 0.695 10 0 DCAERN O=C(NCc1cc[nH]n1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000574774682 397299960 /nfs/dbraw/zinc/29/99/60/397299960.db2.gz SJSVOTBCQASFPO-YPMHNXCESA-N 0 0 308.382 0.777 10 0 DCAERN CCOc1ncnc2c1CN(C(=O)[C@H](O)c1cccnc1)CC2 ZINC000365937428 397336268 /nfs/dbraw/zinc/33/62/68/397336268.db2.gz OQYXLHICDYPRQL-CQSZACIVSA-N 0 0 314.345 0.889 10 0 DCAERN COc1cccc2c1CCN(C(=O)NCc1nnn(C)n1)CC2 ZINC000365935903 397336434 /nfs/dbraw/zinc/33/64/34/397336434.db2.gz JHKIIXQOEXNIAH-UHFFFAOYSA-N 0 0 316.365 0.529 10 0 DCAERN CN(CC(F)(F)F)C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000407958223 397337279 /nfs/dbraw/zinc/33/72/79/397337279.db2.gz PKKXSNDBXHFGDW-UHFFFAOYSA-N 0 0 304.272 0.753 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000407961586 397337703 /nfs/dbraw/zinc/33/77/03/397337703.db2.gz ILRLRYYKBGZHID-CYBMUJFWSA-N 0 0 302.378 0.517 10 0 DCAERN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000407961036 397338191 /nfs/dbraw/zinc/33/81/91/397338191.db2.gz ZXZZYYDBOFYRHS-VXGBXAGGSA-N 0 0 324.425 0.409 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1CC ZINC000407966580 397339701 /nfs/dbraw/zinc/33/97/01/397339701.db2.gz BEJMZKQCVWHGIO-VIFPVBQESA-N 0 0 306.366 0.610 10 0 DCAERN C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000407970576 397341507 /nfs/dbraw/zinc/34/15/07/397341507.db2.gz ZTEUTFXZXAXSEV-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC(=O)N1C ZINC000407968760 397341775 /nfs/dbraw/zinc/34/17/75/397341775.db2.gz HATNINKXRVJLEQ-DTWKUNHWSA-N 0 0 321.299 0.086 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000366150184 397342963 /nfs/dbraw/zinc/34/29/63/397342963.db2.gz BHEHSJGEVCRGDT-UHFFFAOYSA-N 0 0 324.327 0.825 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@@H]3CCOC3)[C@H]2C1 ZINC000407991028 397343922 /nfs/dbraw/zinc/34/39/22/397343922.db2.gz SBYROAXHIFJWHO-MQYQWHSLSA-N 0 0 319.423 0.621 10 0 DCAERN COC1CCN(C(=O)N2CCOC[C@@H]2c2nc(C)no2)CC1 ZINC000408027366 397345118 /nfs/dbraw/zinc/34/51/18/397345118.db2.gz KTBLQNSIWNXWCU-GFCCVEGCSA-N 0 0 310.354 0.982 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CC[C@H](C)C3)[C@H]2C1 ZINC000408135269 397348191 /nfs/dbraw/zinc/34/81/91/397348191.db2.gz XRTUUFOEKHYOAM-CRWXNKLISA-N 0 0 318.439 0.841 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189818 397349183 /nfs/dbraw/zinc/34/91/83/397349183.db2.gz QJSRJCCTJHHFMK-KCJUWKMLSA-N 0 0 311.304 0.610 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCCOCC1 ZINC000408365228 397354691 /nfs/dbraw/zinc/35/46/91/397354691.db2.gz FHIKPWZMYYUXCM-VXGBXAGGSA-N 0 0 304.412 0.774 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)CCC[C@H]2CCOC2)C1 ZINC000621315196 397372151 /nfs/dbraw/zinc/37/21/51/397372151.db2.gz WKTFBMVIQNTQJJ-QWHCGFSZSA-N 0 0 304.412 0.343 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC000366588933 397382970 /nfs/dbraw/zinc/38/29/70/397382970.db2.gz WIGOSSMWIOFIRE-SNVBAGLBSA-N 0 0 318.362 0.727 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN[C@H]3C2)s1 ZINC000404173732 397328173 /nfs/dbraw/zinc/32/81/73/397328173.db2.gz WVQIFFFSNCFYQB-WDEREUQCSA-N 0 0 302.421 0.808 10 0 DCAERN CN(C(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1)C1CC1 ZINC000459959887 397438758 /nfs/dbraw/zinc/43/87/58/397438758.db2.gz LEPWMCHGGVEYEJ-HNNXBMFYSA-N 0 0 318.373 0.914 10 0 DCAERN O=C(Cc1ccc2c(c1)OCCO2)N1CCn2nncc2C1 ZINC000578545619 397452657 /nfs/dbraw/zinc/45/26/57/397452657.db2.gz XNVKXFFBHKVRDQ-UHFFFAOYSA-N 0 0 300.318 0.634 10 0 DCAERN CCc1cnc(CNC(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000366683127 397389383 /nfs/dbraw/zinc/38/93/83/397389383.db2.gz JURNJAQHPKRKDM-LLVKDONJSA-N 0 0 310.423 0.932 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000487096003 397466446 /nfs/dbraw/zinc/46/64/46/397466446.db2.gz MOJLTUNHTDBFEP-GHMZBOCLSA-N 0 0 324.352 0.941 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)noc1C ZINC000488163190 397486820 /nfs/dbraw/zinc/48/68/20/397486820.db2.gz ONGHXSPVZAVLFU-BDAKNGLRSA-N 0 0 311.338 0.478 10 0 DCAERN CCOC(=O)c1ncc(CN2CCC(O)(CO)CC2)s1 ZINC000602889542 397514033 /nfs/dbraw/zinc/51/40/33/397514033.db2.gz SMNPGRAAICGOGT-UHFFFAOYSA-N 0 0 300.380 0.639 10 0 DCAERN C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CCN1C ZINC000578931564 397502718 /nfs/dbraw/zinc/50/27/18/397502718.db2.gz MDGIAGSUIVGPBO-QWRGUYRKSA-N 0 0 319.409 0.787 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1C ZINC000579351374 397556264 /nfs/dbraw/zinc/55/62/64/397556264.db2.gz KZWDGDIUMRFKKZ-UHFFFAOYSA-N 0 0 317.345 0.470 10 0 DCAERN Cn1c2cccc(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)c2oc1=O ZINC000579736186 397591807 /nfs/dbraw/zinc/59/18/07/397591807.db2.gz MWAKXUXVTCENDH-AOOOYVTPSA-N 0 0 319.317 0.763 10 0 DCAERN COc1cccc(C[C@@H](O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000579911829 397597463 /nfs/dbraw/zinc/59/74/63/397597463.db2.gz VZOABJUELINQPN-GDBMZVCRSA-N 0 0 320.389 0.142 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCN1C(=O)CCC1=O ZINC000603688614 397619381 /nfs/dbraw/zinc/61/93/81/397619381.db2.gz SSWWWJRZADFGDB-LLVKDONJSA-N 0 0 317.345 0.070 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000603891968 397626136 /nfs/dbraw/zinc/62/61/36/397626136.db2.gz GDNFCXYJUKCHCO-SNVBAGLBSA-N 0 0 310.379 0.247 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H](C)Cn1cncn1 ZINC000608425380 397729562 /nfs/dbraw/zinc/72/95/62/397729562.db2.gz YPTVWQXGXMULES-GHMZBOCLSA-N 0 0 319.413 0.947 10 0 DCAERN C[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOCC2)cc1 ZINC000606303893 397678993 /nfs/dbraw/zinc/67/89/93/397678993.db2.gz YDDHCNWLJQPRRG-LLVKDONJSA-N 0 0 300.380 0.182 10 0 DCAERN C[C@@H]1C[C@H](C)N(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000607179334 397698708 /nfs/dbraw/zinc/69/87/08/397698708.db2.gz WGVCARUFYCGIIT-NEPJUHHUSA-N 0 0 303.428 0.852 10 0 DCAERN CCc1cnc(N2CCN(C(=O)C3(C(=O)NC)CC3)CC2)s1 ZINC000607938716 397707374 /nfs/dbraw/zinc/70/73/74/397707374.db2.gz OBALXFMTCNSCKW-UHFFFAOYSA-N 0 0 322.434 0.880 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H](COC)C(C)C)cn1C ZINC000608029074 397714356 /nfs/dbraw/zinc/71/43/56/397714356.db2.gz SGSOYIAFJXUCIT-LLVKDONJSA-N 0 0 317.411 0.334 10 0 DCAERN C[C@H](CO)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000608090525 397716336 /nfs/dbraw/zinc/71/63/36/397716336.db2.gz FZJAYZSYRZUFGW-NSHDSACASA-N 0 0 318.377 0.644 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COC)[C@]12CCCO2 ZINC000374713460 286267086 /nfs/dbraw/zinc/26/70/86/286267086.db2.gz GXXFCFSJDKKAIU-FMCLSXCISA-N 0 0 302.371 0.020 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000373055023 297122081 /nfs/dbraw/zinc/12/20/81/297122081.db2.gz HMIMFYDSAMPOFO-DAXOMENPSA-N 0 0 318.373 0.832 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280437 286506411 /nfs/dbraw/zinc/50/64/11/286506411.db2.gz HUWRCHJTJJUZSE-GXFFZTMASA-N 0 0 322.427 0.566 10 0 DCAERN COc1nc(C)nc(N2CCC[C@@H](N3CCNCC3=O)C2)c1C ZINC000333927051 286552958 /nfs/dbraw/zinc/55/29/58/286552958.db2.gz WBNURVRHBSYJRE-CYBMUJFWSA-N 0 0 319.409 0.503 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246452276 286648500 /nfs/dbraw/zinc/64/85/00/286648500.db2.gz MCVSLLJCYIEJBF-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)NC(C)(C)C)CC2)no1 ZINC000045915653 158000673 /nfs/dbraw/zinc/00/06/73/158000673.db2.gz GGAQQYHALSXYBY-UHFFFAOYSA-N 0 0 309.414 0.800 10 0 DCAERN NC(=O)NCC(=O)NCCc1cc(Br)ccc1F ZINC000049198196 158009344 /nfs/dbraw/zinc/00/93/44/158009344.db2.gz VVNRALINDBITJA-UHFFFAOYSA-N 0 0 318.146 0.915 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000050731274 158012056 /nfs/dbraw/zinc/01/20/56/158012056.db2.gz HGPMKWPLSKSAPR-YNEHKIRRSA-N 0 0 309.410 0.666 10 0 DCAERN CC(C)NC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000053607812 158018107 /nfs/dbraw/zinc/01/81/07/158018107.db2.gz TUSLBZRLKTZNOM-UHFFFAOYSA-N 0 0 321.425 0.979 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000054455592 158021979 /nfs/dbraw/zinc/02/19/79/158021979.db2.gz XUKIWCSCTKDIPF-XQQFMLRXSA-N 0 0 318.439 0.826 10 0 DCAERN CC(C)(NC(=O)CCCNC(=O)NC1CCCCC1)C(N)=O ZINC000057256002 158025400 /nfs/dbraw/zinc/02/54/00/158025400.db2.gz BWSRGBMJFQHLTN-UHFFFAOYSA-N 0 0 312.414 0.779 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000057809434 158025555 /nfs/dbraw/zinc/02/55/55/158025555.db2.gz VJBZJLDPJXEMFS-AWEZNQCLSA-N 0 0 317.389 0.330 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCNC(=O)CC1 ZINC000059882907 158027223 /nfs/dbraw/zinc/02/72/23/158027223.db2.gz QRPNJHJSJUKYQZ-UHFFFAOYSA-N 0 0 310.375 0.361 10 0 DCAERN O=C(c1cccc(N2CCCC2=O)c1)N1CCNC(=O)CC1 ZINC000065903152 158034029 /nfs/dbraw/zinc/03/40/29/158034029.db2.gz RAZFBGOYTAIMDV-UHFFFAOYSA-N 0 0 301.346 0.776 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC1 ZINC000066370423 158035954 /nfs/dbraw/zinc/03/59/54/158035954.db2.gz RTVNZWQYVAHTNR-UHFFFAOYSA-N 0 0 319.390 0.848 10 0 DCAERN COc1cccc(CNC(=O)[C@@H](C)N2CCNC(=O)CC2)c1 ZINC000068334228 158041752 /nfs/dbraw/zinc/04/17/52/158041752.db2.gz QQLHHXUPUUVUDK-GFCCVEGCSA-N 0 0 305.378 0.522 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000068521453 158043608 /nfs/dbraw/zinc/04/36/08/158043608.db2.gz GYRXJZRRNXVFEH-NEPJUHHUSA-N 0 0 300.403 0.050 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2cscn2)[C@H](C)CO1 ZINC000072711941 158052480 /nfs/dbraw/zinc/05/24/80/158052480.db2.gz OWVKOHVSULHCEX-NXEZZACHSA-N 0 0 305.425 0.629 10 0 DCAERN Cc1cc(N)nc(SCCn2nc3ccccn3c2=O)n1 ZINC000074233117 158058032 /nfs/dbraw/zinc/05/80/32/158058032.db2.gz IZNAKEJWAVCYIP-UHFFFAOYSA-N 0 0 302.363 0.969 10 0 DCAERN O=C(NC1CCN(C(=O)C2=NNC(=O)CC2)CC1)C1CCC1 ZINC000075059082 158061160 /nfs/dbraw/zinc/06/11/60/158061160.db2.gz DNJZLPGSMLQKGC-UHFFFAOYSA-N 0 0 306.366 0.160 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075288411 158061794 /nfs/dbraw/zinc/06/17/94/158061794.db2.gz MQEHYPRZNKPKFG-QWRGUYRKSA-N 0 0 303.366 0.777 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000075976952 158063388 /nfs/dbraw/zinc/06/33/88/158063388.db2.gz CMJNKSQKBVMJQM-ZYHUDNBSSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@H](NC(=O)CN1[C@H](C)COC[C@H]1C)C(=O)N1CCCCC1 ZINC000077368647 158067804 /nfs/dbraw/zinc/06/78/04/158067804.db2.gz MZSBVQLFGQBMQI-MCIONIFRSA-N 0 0 311.426 0.613 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077717935 158069315 /nfs/dbraw/zinc/06/93/15/158069315.db2.gz PQPGDXNNVZTNGA-UHFFFAOYSA-N 0 0 304.306 0.516 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077767968 158069841 /nfs/dbraw/zinc/06/98/41/158069841.db2.gz SUNHBQVEUJHKML-SECBINFHSA-N 0 0 304.306 0.562 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000077750287 158070054 /nfs/dbraw/zinc/07/00/54/158070054.db2.gz NXYICLAVNBMVAM-WCQYABFASA-N 0 0 306.428 0.660 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000079069342 158077564 /nfs/dbraw/zinc/07/75/64/158077564.db2.gz JZNRFDCNVLHQJQ-STQMWFEESA-N 0 0 324.425 0.696 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000080785648 158082777 /nfs/dbraw/zinc/08/27/77/158082777.db2.gz TYJQUFVBSTVWDY-NWDGAFQWSA-N 0 0 317.455 0.952 10 0 DCAERN NS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000081076147 158082935 /nfs/dbraw/zinc/08/29/35/158082935.db2.gz XCMNGKVTBDQNQJ-LLVKDONJSA-N 0 0 309.391 0.806 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)n1 ZINC000081410782 158084058 /nfs/dbraw/zinc/08/40/58/158084058.db2.gz HQPWVZPYEXVEAO-OAHLLOKOSA-N 0 0 318.421 0.806 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000081424724 158084568 /nfs/dbraw/zinc/08/45/68/158084568.db2.gz AJXHUGUQZRWODD-STQMWFEESA-N 0 0 320.455 0.978 10 0 DCAERN O=C(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)N1CCCCC1 ZINC000081477605 158084572 /nfs/dbraw/zinc/08/45/72/158084572.db2.gz QPJJROVRWWNQCB-LBPRGKRZSA-N 0 0 323.315 0.708 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@H](O)COCC(C)C ZINC000081845693 158085585 /nfs/dbraw/zinc/08/55/85/158085585.db2.gz IEHKHRRSFNAZSC-AWEZNQCLSA-N 0 0 322.405 0.875 10 0 DCAERN Cc1noc(COCC(=O)N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000081584799 158085772 /nfs/dbraw/zinc/08/57/72/158085772.db2.gz LETXQCYIBPEPQZ-SNVBAGLBSA-N 0 0 306.326 0.446 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000083724828 158089150 /nfs/dbraw/zinc/08/91/50/158089150.db2.gz OUDZPVOKQQOKKS-NWDGAFQWSA-N 0 0 320.397 0.730 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000084273812 158089166 /nfs/dbraw/zinc/08/91/66/158089166.db2.gz KAOPGPCVDPUNTB-AWEZNQCLSA-N 0 0 321.377 0.831 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083734039 158089173 /nfs/dbraw/zinc/08/91/73/158089173.db2.gz YBPQCVHKCJZIKI-FBIMIBRVSA-N 0 0 313.427 0.833 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000085987740 158090324 /nfs/dbraw/zinc/09/03/24/158090324.db2.gz CAVPCANTOCLIMJ-NDBYEHHHSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000085987736 158090367 /nfs/dbraw/zinc/09/03/67/158090367.db2.gz CAVPCANTOCLIMJ-RNJOBUHISA-N 0 0 306.428 0.481 10 0 DCAERN NC(=O)CCNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088482329 158094402 /nfs/dbraw/zinc/09/44/02/158094402.db2.gz OLIMBYAWMWNKND-VIFPVBQESA-N 0 0 312.320 0.718 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074065 158106343 /nfs/dbraw/zinc/10/63/43/158106343.db2.gz QBHOSTVEBIKNJU-PWSUYJOCSA-N 0 0 321.402 0.845 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ncnn1C ZINC000091182417 158107081 /nfs/dbraw/zinc/10/70/81/158107081.db2.gz DJDZVNCTXSNVLA-LBPRGKRZSA-N 0 0 316.365 0.636 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091780554 158109773 /nfs/dbraw/zinc/10/97/73/158109773.db2.gz WYIKAPFKASWMLH-BFHYXJOUSA-N 0 0 304.346 0.511 10 0 DCAERN CCc1nn(C)c(CC)c1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000093531589 158120952 /nfs/dbraw/zinc/12/09/52/158120952.db2.gz QERTXGBNPHABBJ-NSHDSACASA-N 0 0 314.455 0.668 10 0 DCAERN Cc1nc(CN2CCCN(Cc3nnnn3C(C)C)CC2)no1 ZINC000105867211 158130110 /nfs/dbraw/zinc/13/01/10/158130110.db2.gz PRPUTMRMKZEPBK-UHFFFAOYSA-N 0 0 320.401 0.653 10 0 DCAERN C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H](n2cncn2)C1 ZINC000105898594 158132625 /nfs/dbraw/zinc/13/26/25/158132625.db2.gz BEIQXDZCGYTNBN-NEPJUHHUSA-N 0 0 301.354 0.732 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000109000314 158137152 /nfs/dbraw/zinc/13/71/52/158137152.db2.gz NRLAKVQGOIRUDQ-OAHLLOKOSA-N 0 0 323.437 0.426 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000111212584 158139741 /nfs/dbraw/zinc/13/97/41/158139741.db2.gz KHEDFJGPYAVYQF-UHFFFAOYSA-N 0 0 308.382 0.611 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110956120 158139783 /nfs/dbraw/zinc/13/97/83/158139783.db2.gz PBEZDXHWKDEONL-GJZGRUSLSA-N 0 0 323.437 0.568 10 0 DCAERN NC(=O)CN(CC(N)=O)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000113167767 158145602 /nfs/dbraw/zinc/14/56/02/158145602.db2.gz ZBTNUPZKZSKBSZ-UHFFFAOYSA-N 0 0 319.292 0.499 10 0 DCAERN C[C@@H](NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482421 158154167 /nfs/dbraw/zinc/15/41/67/158154167.db2.gz GHXLSBLUXPHMJA-DGCLKSJQSA-N 0 0 307.398 0.530 10 0 DCAERN CC(C)Nc1ncnc2c1ncn2C[C@@H](O)CN1CCOCC1 ZINC000116400822 158165483 /nfs/dbraw/zinc/16/54/83/158165483.db2.gz LVSXWQVQPJCUQO-LBPRGKRZSA-N 0 0 320.397 0.340 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116831060 158167729 /nfs/dbraw/zinc/16/77/29/158167729.db2.gz MVQCYJIRJCTJCB-QMMMGPOBSA-N 0 0 321.786 0.329 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N(CC)CC)C[C@H]1C ZINC000117368698 158172194 /nfs/dbraw/zinc/17/21/94/158172194.db2.gz NXRGTBMIBYWOKD-CYBMUJFWSA-N 0 0 307.460 0.616 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000117752130 158173068 /nfs/dbraw/zinc/17/30/68/158173068.db2.gz CWDNCWPXKPWIGQ-MLGOLLRUSA-N 0 0 318.373 0.916 10 0 DCAERN C[C@H]1CN(C(=O)CSCC(F)(F)F)CCS1(=O)=O ZINC000119410428 158188005 /nfs/dbraw/zinc/18/80/05/158188005.db2.gz VEHLMZQRSBUBBP-ZETCQYMHSA-N 0 0 305.343 0.927 10 0 DCAERN COCCN1CCN(CCCS(=O)(=O)C(C)C)C[C@H]1C ZINC000120024408 158192277 /nfs/dbraw/zinc/19/22/77/158192277.db2.gz VFWSQVNDMVTXMO-CQSZACIVSA-N 0 0 306.472 0.852 10 0 DCAERN CC(C)C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000120119861 158193133 /nfs/dbraw/zinc/19/31/33/158193133.db2.gz HWMXHBKQGWVKEZ-OLZOCXBDSA-N 0 0 319.409 0.860 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C)CCCO2)C1 ZINC000120130375 158193522 /nfs/dbraw/zinc/19/35/22/158193522.db2.gz QNAYSVNNOZZLOI-AAEUAGOBSA-N 0 0 304.412 0.484 10 0 DCAERN COCCn1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000120396041 158197982 /nfs/dbraw/zinc/19/79/82/158197982.db2.gz DZLSPUTYPYNKIC-QWRGUYRKSA-N 0 0 309.370 0.647 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000120868316 158204332 /nfs/dbraw/zinc/20/43/32/158204332.db2.gz KRUDXBBXUUOMLX-ZJUUUORDSA-N 0 0 322.390 0.599 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000120933460 158205461 /nfs/dbraw/zinc/20/54/61/158205461.db2.gz OGBIMAXDTAZMOU-GXTWGEPZSA-N 0 0 324.402 0.975 10 0 DCAERN C[C@@H](CNC(=O)NCCNC(=O)C(C)(C)C)N1CCOCC1 ZINC000120869468 158205548 /nfs/dbraw/zinc/20/55/48/158205548.db2.gz MRDZJIIMMRHHCT-LBPRGKRZSA-N 0 0 314.430 0.169 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000121027573 158206900 /nfs/dbraw/zinc/20/69/00/158206900.db2.gz HTRGNLLLSJFASW-CYBMUJFWSA-N 0 0 320.393 0.061 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000121267238 158209505 /nfs/dbraw/zinc/20/95/05/158209505.db2.gz LTZDJKNAADFGGM-KBPBESRZSA-N 0 0 308.382 0.781 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCS1(=O)=O ZINC000121622434 158213520 /nfs/dbraw/zinc/21/35/20/158213520.db2.gz NJSNOTWLAJHKAS-JTQLQIEISA-N 0 0 324.402 0.513 10 0 DCAERN CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122149193 158218622 /nfs/dbraw/zinc/21/86/22/158218622.db2.gz SIYNXVNKEVSCMC-ZDUSSCGKSA-N 0 0 305.382 0.382 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122298492 158220181 /nfs/dbraw/zinc/22/01/81/158220181.db2.gz WWDQKRLOGTUXDC-NEPJUHHUSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCCC2=O)CCS1(=O)=O ZINC000122232827 158220203 /nfs/dbraw/zinc/22/02/03/158220203.db2.gz VQGOHKSMGJZGHX-LLVKDONJSA-N 0 0 302.396 0.035 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCn3cccn3)no2)c1 ZINC000122706989 158223318 /nfs/dbraw/zinc/22/33/18/158223318.db2.gz ZBJDKESDYXOTEI-UHFFFAOYSA-N 0 0 300.322 0.854 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124314097 158241017 /nfs/dbraw/zinc/24/10/17/158241017.db2.gz XAJRZSHFVDLSHH-UHFFFAOYSA-N 0 0 313.423 0.951 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCc1ccnn1C ZINC000124398392 158241256 /nfs/dbraw/zinc/24/12/56/158241256.db2.gz UCGGILZNJJKMSX-NSHDSACASA-N 0 0 301.412 0.634 10 0 DCAERN Cc1nc(C)c(CCC(=O)Nc2cnc(N(C)C)nc2)c(=O)[nH]1 ZINC000124841883 158248021 /nfs/dbraw/zinc/24/80/21/158248021.db2.gz VHKXUFMLKWHQEQ-UHFFFAOYSA-N 0 0 316.365 0.814 10 0 DCAERN O=C(c1cnc2sccn2c1=O)N1CCN(C2CC2)CC1 ZINC000124840758 158248260 /nfs/dbraw/zinc/24/82/60/158248260.db2.gz IQQZKIZLRIDIRS-UHFFFAOYSA-N 0 0 304.375 0.676 10 0 DCAERN NC(=O)c1ccc(NC(=O)NCCCN2CCCC2=O)cc1 ZINC000125192587 158252175 /nfs/dbraw/zinc/25/21/75/158252175.db2.gz UMXCKMCCJMKGJL-UHFFFAOYSA-N 0 0 304.350 0.920 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000125360931 158255540 /nfs/dbraw/zinc/25/55/40/158255540.db2.gz SZFJQRXXQCLQKZ-LBPRGKRZSA-N 0 0 305.382 0.906 10 0 DCAERN O=C(CN1CCNC(=O)CC1)NCCc1ccc(Cl)cc1 ZINC000125630934 158258246 /nfs/dbraw/zinc/25/82/46/158258246.db2.gz DLFROBSFEQLRFH-UHFFFAOYSA-N 0 0 309.797 0.821 10 0 DCAERN C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCNC(=O)CC1 ZINC000126165311 158262064 /nfs/dbraw/zinc/26/20/64/158262064.db2.gz NSIZCQNFOCJASR-JTQLQIEISA-N 0 0 322.340 0.684 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000126111343 158262456 /nfs/dbraw/zinc/26/24/56/158262456.db2.gz SZOPHGYPHGTCIN-ZYHUDNBSSA-N 0 0 323.372 0.609 10 0 DCAERN CN1C(=O)C[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000126218460 158263657 /nfs/dbraw/zinc/26/36/57/158263657.db2.gz KJPHQDWVVYUQNU-CQSZACIVSA-N 0 0 315.373 0.638 10 0 DCAERN CC(=O)Nc1nc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cs1 ZINC000127531397 158274625 /nfs/dbraw/zinc/27/46/25/158274625.db2.gz GBWYRGMBTBGBIB-LLVKDONJSA-N 0 0 324.406 0.695 10 0 DCAERN COCCc1cc(NC(=O)NCCCC(=O)NC2CC2)n(C)n1 ZINC000127701710 158275279 /nfs/dbraw/zinc/27/52/79/158275279.db2.gz KZRJXXRMJOXCTM-UHFFFAOYSA-N 0 0 323.397 0.789 10 0 DCAERN COCCc1cc(NC(=O)N2CCN(C3CC3)CC2)n(C)n1 ZINC000127636942 158276146 /nfs/dbraw/zinc/27/61/46/158276146.db2.gz GCGNFBAGODYYAN-UHFFFAOYSA-N 0 0 307.398 0.921 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C)CC(C)(CO)CO)cc1C ZINC000128128902 158278622 /nfs/dbraw/zinc/27/86/22/158278622.db2.gz DPLDPCTVQMKMSN-UHFFFAOYSA-N 0 0 322.405 0.483 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCC1=O ZINC000128687590 158282152 /nfs/dbraw/zinc/28/21/52/158282152.db2.gz QHOARHPLLGQQDS-IOASZLSFSA-N 0 0 309.410 0.944 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](CC)CCO)CC2 ZINC000128583155 158282223 /nfs/dbraw/zinc/28/22/23/158282223.db2.gz WVRUGRWSYNPYNK-NEPJUHHUSA-N 0 0 309.414 0.863 10 0 DCAERN CN(C(=O)N[C@H]1CCc2ncnn2C1)C1CCC(CO)CC1 ZINC000128833683 158283523 /nfs/dbraw/zinc/28/35/23/158283523.db2.gz APFXUXLKFWYQKZ-CPCZMJQVSA-N 0 0 307.398 0.785 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)NCc1ccnc(-n2cccn2)c1 ZINC000128854669 158283919 /nfs/dbraw/zinc/28/39/19/158283919.db2.gz LXQCQWYTEBAMTJ-LBPRGKRZSA-N 0 0 300.318 0.837 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCCN(c3ccccn3)CC2)C1=O ZINC000129235978 158285743 /nfs/dbraw/zinc/28/57/43/158285743.db2.gz GGLDWFPSUGDUGD-ZDUSSCGKSA-N 0 0 317.393 0.534 10 0 DCAERN COc1cccc([C@@H]2CN(C(=O)Cn3cnnn3)CCO2)c1 ZINC000130070658 158293799 /nfs/dbraw/zinc/29/37/99/158293799.db2.gz NJYIWVRRIOWEMF-ZDUSSCGKSA-N 0 0 303.322 0.282 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@H](C)CO)n1 ZINC000130487040 158295618 /nfs/dbraw/zinc/29/56/18/158295618.db2.gz UPIUIZJTQBZYSY-LLVKDONJSA-N 0 0 302.334 0.616 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000130936236 158297359 /nfs/dbraw/zinc/29/73/59/158297359.db2.gz DUUGIXGDNMPPCP-GRYCIOLGSA-N 0 0 302.440 0.862 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CN(C)S(C)(=O)=O ZINC000131224355 158301190 /nfs/dbraw/zinc/30/11/90/158301190.db2.gz KBNVMNXYNMORIM-UHFFFAOYSA-N 0 0 302.400 0.047 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000132343417 158310458 /nfs/dbraw/zinc/31/04/58/158310458.db2.gz BPEUCNASGHOLQP-GXTWGEPZSA-N 0 0 305.378 0.476 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132475276 158311894 /nfs/dbraw/zinc/31/18/94/158311894.db2.gz BYFJEXFGFNUSER-GARJFASQSA-N 0 0 307.350 0.558 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132475675 158311948 /nfs/dbraw/zinc/31/19/48/158311948.db2.gz BYFJEXFGFNUSER-DCAQKATOSA-N 0 0 307.350 0.558 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000132711305 158313174 /nfs/dbraw/zinc/31/31/74/158313174.db2.gz IZYJSZKIDRJNBO-GHMZBOCLSA-N 0 0 311.407 0.687 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132900927 158313803 /nfs/dbraw/zinc/31/38/03/158313803.db2.gz QSYHJWIPMODCTF-RWMBFGLXSA-N 0 0 309.410 0.938 10 0 DCAERN O=C(NCCNc1cncc(OCCO)n1)c1ccccc1 ZINC000133077219 158316101 /nfs/dbraw/zinc/31/61/01/158316101.db2.gz CSUCFZOHSXIVMR-UHFFFAOYSA-N 0 0 302.334 0.690 10 0 DCAERN CN1C[C@@H](NC(=O)CCc2nc(-c3ccco3)no2)CCC1=O ZINC000133260556 158317074 /nfs/dbraw/zinc/31/70/74/158317074.db2.gz TYJDYSLSZUBMOF-JTQLQIEISA-N 0 0 318.333 0.999 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(=O)n(C)c1)CC2 ZINC000133470618 158319754 /nfs/dbraw/zinc/31/97/54/158319754.db2.gz ZROOBMOSYOZLGM-GFCCVEGCSA-N 0 0 315.377 0.845 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CSCC(N)=O)CC2 ZINC000133898768 158323631 /nfs/dbraw/zinc/32/36/31/158323631.db2.gz NVKNOAHZAIELNB-SECBINFHSA-N 0 0 311.411 0.051 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000135080338 158333431 /nfs/dbraw/zinc/33/34/31/158333431.db2.gz GUTMABIRHSGEQT-OLZOCXBDSA-N 0 0 310.398 0.307 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)CC1CCOCC1)CC2 ZINC000135104371 158334224 /nfs/dbraw/zinc/33/42/24/158334224.db2.gz MORIDCGFFCAJRY-GFCCVEGCSA-N 0 0 308.382 0.672 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CSC(=O)N1)CC2 ZINC000136842189 158344187 /nfs/dbraw/zinc/34/41/87/158344187.db2.gz SRNUHZPWRLGBRC-BDAKNGLRSA-N 0 0 309.395 0.658 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000152669338 158349871 /nfs/dbraw/zinc/34/98/71/158349871.db2.gz OJHGLJAITJLPGO-WDEREUQCSA-N 0 0 306.366 0.859 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1C ZINC000166871414 158367103 /nfs/dbraw/zinc/36/71/03/158367103.db2.gz HKXLPORVSFYKBA-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN COc1ccccc1OCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000170212101 158373669 /nfs/dbraw/zinc/37/36/69/158373669.db2.gz OQQUZTTWCIAUTH-MRXNPFEDSA-N 0 0 304.346 0.813 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1CCCC1=O ZINC000170316012 158374645 /nfs/dbraw/zinc/37/46/45/158374645.db2.gz DGACBNKRKLCOQL-CHWSQXEVSA-N 0 0 309.410 0.810 10 0 DCAERN C[C@@H]1CN(CC2CCN(CCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000171303862 158382117 /nfs/dbraw/zinc/38/21/17/158382117.db2.gz ZQURHRZRBMXSCE-ZIAGYGMSSA-N 0 0 318.483 0.852 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000171398927 158382516 /nfs/dbraw/zinc/38/25/16/158382516.db2.gz FUTZMVHWIOYODZ-NXEZZACHSA-N 0 0 308.300 0.892 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171429266 158382647 /nfs/dbraw/zinc/38/26/47/158382647.db2.gz HNPKISUTNCEDNS-NSHDSACASA-N 0 0 303.384 0.609 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)CCCCN2CCOCC2)C1 ZINC000171962438 158388886 /nfs/dbraw/zinc/38/88/86/158388886.db2.gz TYAUPAOAGWIJHV-HNNXBMFYSA-N 0 0 311.426 0.616 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1CCOCC1)CC2 ZINC000172023231 158389366 /nfs/dbraw/zinc/38/93/66/158389366.db2.gz BVZVSHNLPJKEOV-GFCCVEGCSA-N 0 0 307.398 0.881 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)C(C)C)CC2 ZINC000172041276 158390545 /nfs/dbraw/zinc/39/05/45/158390545.db2.gz IHHFBUSCZFETCQ-NHYWBVRUSA-N 0 0 309.414 0.862 10 0 DCAERN C[C@H](NC(=O)NCCN1CCCS1(=O)=O)C1CCCC1 ZINC000172185658 158391530 /nfs/dbraw/zinc/39/15/30/158391530.db2.gz ARDGHMBWISJARA-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)CS(C)(=O)=O ZINC000172248773 158391748 /nfs/dbraw/zinc/39/17/48/158391748.db2.gz GIBIUCJJXROFHC-VXGBXAGGSA-N 0 0 307.460 0.695 10 0 DCAERN CCNS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172447051 158394740 /nfs/dbraw/zinc/39/47/40/158394740.db2.gz OOTODHKITPTKOS-UHFFFAOYSA-N 0 0 317.455 0.955 10 0 DCAERN C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000172648531 158397346 /nfs/dbraw/zinc/39/73/46/158397346.db2.gz CPLHPQALKXEDEJ-WDEREUQCSA-N 0 0 303.366 0.777 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172751113 158398648 /nfs/dbraw/zinc/39/86/48/158398648.db2.gz OQRYDATZZVBIJY-CYBMUJFWSA-N 0 0 320.393 0.153 10 0 DCAERN Cc1ccc([C@H](CNC(=O)CC(=O)N(C)C)N2CCOCC2)o1 ZINC000174482331 158417090 /nfs/dbraw/zinc/41/70/90/158417090.db2.gz COYWCVVPZWCJRW-ZDUSSCGKSA-N 0 0 323.393 0.556 10 0 DCAERN CCc1cc(N2CCC[C@H](NC(=O)CC(=O)N(C)C)C2)ncn1 ZINC000174814450 158420577 /nfs/dbraw/zinc/42/05/77/158420577.db2.gz OARGCYXRVRHGLM-ZDUSSCGKSA-N 0 0 319.409 0.602 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175125314 158424287 /nfs/dbraw/zinc/42/42/87/158424287.db2.gz RAIQZXHCKLLNNT-OLZOCXBDSA-N 0 0 309.414 0.937 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)c2ccccc2C)C1 ZINC000176907934 158443037 /nfs/dbraw/zinc/44/30/37/158443037.db2.gz KNXZNPUGMVWSBL-UHFFFAOYSA-N 0 0 320.389 0.989 10 0 DCAERN CNC(=O)[C@H](NC(=O)COCCOc1ccccc1)C(C)C ZINC000178706657 158462523 /nfs/dbraw/zinc/46/25/23/158462523.db2.gz FEBBKJDRJCRRBD-OAHLLOKOSA-N 0 0 308.378 0.969 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000179874291 158475289 /nfs/dbraw/zinc/47/52/89/158475289.db2.gz BPSKKXBYPNKWFQ-UHFFFAOYSA-N 0 0 315.370 0.257 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)Cc2ccccc2O)cn1 ZINC000181442343 158485757 /nfs/dbraw/zinc/48/57/57/158485757.db2.gz JVHXBPLCGJNJOY-CQSZACIVSA-N 0 0 300.362 0.841 10 0 DCAERN C[C@@H](NCC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000183357984 158498612 /nfs/dbraw/zinc/49/86/12/158498612.db2.gz KGRUUWIGHNHVCP-CYBMUJFWSA-N 0 0 315.377 0.777 10 0 DCAERN COCCS(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184333640 158507612 /nfs/dbraw/zinc/50/76/12/158507612.db2.gz NMGMSJAEYIALCT-UHFFFAOYSA-N 0 0 304.393 0.373 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1c[nH]c(=S)[nH]1 ZINC000185677834 158523116 /nfs/dbraw/zinc/52/31/16/158523116.db2.gz BFPFFZNDVLVSKJ-SECBINFHSA-N 0 0 304.379 0.887 10 0 DCAERN CCCS(=O)(=O)CCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189353070 158551703 /nfs/dbraw/zinc/55/17/03/158551703.db2.gz IECZSXDBFKRYRN-NWDGAFQWSA-N 0 0 317.411 0.965 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189985235 158556563 /nfs/dbraw/zinc/55/65/63/158556563.db2.gz LXTMIUNNSXROQT-UHFFFAOYSA-N 0 0 323.397 0.749 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCN(c3ncccn3)CC2)[C@H]1CO ZINC000190244898 158558664 /nfs/dbraw/zinc/55/86/64/158558664.db2.gz IRBXIXWZWJZHTQ-JSGCOSHPSA-N 0 0 319.409 0.858 10 0 DCAERN CCN1CN(C(=O)c2cccc(N3CCNC3=O)c2C)CC1=O ZINC000190505863 158560985 /nfs/dbraw/zinc/56/09/85/158560985.db2.gz BUQJBFTZMSPMPK-UHFFFAOYSA-N 0 0 316.361 0.786 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191045417 158565091 /nfs/dbraw/zinc/56/50/91/158565091.db2.gz VUTJMYILZOOPLE-UHFFFAOYSA-N 0 0 320.349 0.490 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191275760 158567110 /nfs/dbraw/zinc/56/71/10/158567110.db2.gz NBABMCYCHZOLOM-NEPJUHHUSA-N 0 0 301.346 0.674 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCCC1=O)CC2 ZINC000195267439 158608494 /nfs/dbraw/zinc/60/84/94/158608494.db2.gz KIKZSKZXSBFNMN-NSHDSACASA-N 0 0 305.382 0.455 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261700524 158730538 /nfs/dbraw/zinc/73/05/38/158730538.db2.gz CYHCQAWRXLKCKN-CYBMUJFWSA-N 0 0 316.361 0.094 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1 ZINC000263079053 158855674 /nfs/dbraw/zinc/85/56/74/158855674.db2.gz XHRJSLXNXWDJAI-LBPRGKRZSA-N 0 0 315.364 0.987 10 0 DCAERN COc1c[nH+]ccc1N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000263415504 158877750 /nfs/dbraw/zinc/87/77/50/158877750.db2.gz NSHHRZLJCGQTHZ-UHFFFAOYSA-N 0 0 315.333 0.905 10 0 DCAERN Cc1cc(Br)cnc1N1CCC[C@](O)(C(N)=O)C1 ZINC000311011201 158995503 /nfs/dbraw/zinc/99/55/03/158995503.db2.gz LYBMMTLLUJTOLK-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN CCOc1ccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000319524709 159008335 /nfs/dbraw/zinc/00/83/35/159008335.db2.gz OEZLAFMHGVPCDS-INIZCTEOSA-N 0 0 306.362 0.467 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328646504 159016530 /nfs/dbraw/zinc/01/65/30/159016530.db2.gz HIHRXMLGFZPRNZ-NSHDSACASA-N 0 0 317.411 0.379 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328648620 159017817 /nfs/dbraw/zinc/01/78/17/159017817.db2.gz AJYUJEOOCOMPQF-HNNXBMFYSA-N 0 0 316.405 0.957 10 0 DCAERN CO[C@@H](C(=O)N1CCN[C@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660928 159017883 /nfs/dbraw/zinc/01/78/83/159017883.db2.gz WEWBMZKEAZHDQC-LSDHHAIUSA-N 0 0 315.377 0.676 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000328690174 159021450 /nfs/dbraw/zinc/02/14/50/159021450.db2.gz QTCDHGBHVAITKZ-FUHWJXTLSA-N 0 0 318.417 0.870 10 0 DCAERN C[C@H](CC(=O)N1CCS(=O)(=O)CC1)N1CCCCC1=O ZINC000328764713 159028230 /nfs/dbraw/zinc/02/82/30/159028230.db2.gz OUGKGEYEKIIFNA-LLVKDONJSA-N 0 0 302.396 0.035 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000328770443 159028253 /nfs/dbraw/zinc/02/82/53/159028253.db2.gz IXRVSINZRBZIMH-RYUDHWBXSA-N 0 0 311.382 0.185 10 0 DCAERN Cn1c(=O)cccc1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000328781015 159029206 /nfs/dbraw/zinc/02/92/06/159029206.db2.gz FNZRNDBTDIQLAL-UHFFFAOYSA-N 0 0 314.345 0.869 10 0 DCAERN C[C@@H](CC(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCCC1=O ZINC000328791246 159029659 /nfs/dbraw/zinc/02/96/59/159029659.db2.gz ZEHKYYUVCFOQCS-RYUDHWBXSA-N 0 0 316.423 0.423 10 0 DCAERN CCn1nncc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000328811581 159031324 /nfs/dbraw/zinc/03/13/24/159031324.db2.gz MUSGADXRQBZGSZ-LBPRGKRZSA-N 0 0 307.398 0.623 10 0 DCAERN O=C(Cc1ccccc1)N1CC[C@H](NS(=O)(=O)C2COC2)C1 ZINC000328841626 159034406 /nfs/dbraw/zinc/03/44/06/159034406.db2.gz PNWIUVNMIOEJNF-ZDUSSCGKSA-N 0 0 324.402 0.148 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@@H]21 ZINC000328915036 159040907 /nfs/dbraw/zinc/04/09/07/159040907.db2.gz QOUFYDRYHDLTGT-VHSXEESVSA-N 0 0 314.436 0.562 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932288 159042696 /nfs/dbraw/zinc/04/26/96/159042696.db2.gz DHXKFUZBFZUAFT-CABCVRRESA-N 0 0 306.362 0.703 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC[C@@H](CCO)C2)CC(=O)N1C ZINC000328953844 159046274 /nfs/dbraw/zinc/04/62/74/159046274.db2.gz MPBIROQZVYEESU-HUBLWGQQSA-N 0 0 320.393 0.170 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000328990882 159050241 /nfs/dbraw/zinc/05/02/41/159050241.db2.gz VHSUCOIBCKADER-AAVRWANBSA-N 0 0 320.393 0.039 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2nccs2)C1 ZINC000329011235 159051434 /nfs/dbraw/zinc/05/14/34/159051434.db2.gz IFFKYLKMRVHVSK-CABZTGNLSA-N 0 0 319.390 0.966 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H]1O ZINC000329021397 159052590 /nfs/dbraw/zinc/05/25/90/159052590.db2.gz MDRJMOAVLZLJNV-NLRBGTRBSA-N 0 0 320.393 0.169 10 0 DCAERN COCCN1CCN(Cc2nc3cccnc3s2)CC1=O ZINC000329090737 159061024 /nfs/dbraw/zinc/06/10/24/159061024.db2.gz WQSIJFYGVLKWSO-UHFFFAOYSA-N 0 0 306.391 0.982 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329159059 159068845 /nfs/dbraw/zinc/06/88/45/159068845.db2.gz DQXZDQUPKRLOEM-FRRDWIJNSA-N 0 0 300.424 0.364 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc3ccnn32)C1 ZINC000329248783 159076515 /nfs/dbraw/zinc/07/65/15/159076515.db2.gz SRAKQPGHXXXZJT-LLVKDONJSA-N 0 0 309.395 0.796 10 0 DCAERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000329287155 159079192 /nfs/dbraw/zinc/07/91/92/159079192.db2.gz MHXIQINVYOUMJQ-SNVBAGLBSA-N 0 0 311.367 0.946 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H](C3CC3)C2)nn1 ZINC000329304411 159081182 /nfs/dbraw/zinc/08/11/82/159081182.db2.gz AGWCWNOBVUOWMY-MGPQQGTHSA-N 0 0 322.365 0.115 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329307676 159081394 /nfs/dbraw/zinc/08/13/94/159081394.db2.gz ZFIJNNLPZJVTJK-UHFFFAOYSA-N 0 0 311.349 0.410 10 0 DCAERN CC(C)[C@H]1N(C(=O)CCn2ncn(C)c2=O)C[C@]12CCCO2 ZINC000329329420 159083198 /nfs/dbraw/zinc/08/31/98/159083198.db2.gz KZCHFIXNRBEPHP-UKRRQHHQSA-N 0 0 308.382 0.388 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CC2(C1)CCCOC2 ZINC000329466413 159095780 /nfs/dbraw/zinc/09/57/80/159095780.db2.gz RZXIQPUMOBNUML-UHFFFAOYSA-N 0 0 306.362 0.891 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@H]1OC ZINC000329526092 159100318 /nfs/dbraw/zinc/10/03/18/159100318.db2.gz SXOLPEWBPHMBTG-RBSFLKMASA-N 0 0 312.410 0.360 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C[C@H](C)O1 ZINC000329549967 159101564 /nfs/dbraw/zinc/10/15/64/159101564.db2.gz JCFUKXOFBASSTC-OIMNJJJWSA-N 0 0 324.381 0.504 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000329592341 159105345 /nfs/dbraw/zinc/10/53/45/159105345.db2.gz UICGEGRNYOLCRN-SOUVJXGZSA-N 0 0 324.421 0.776 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@@H]21 ZINC000329591437 159105842 /nfs/dbraw/zinc/10/58/42/159105842.db2.gz UDGDQZRBVWQDOK-CAOSSQGBSA-N 0 0 317.389 0.701 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000329618802 159107427 /nfs/dbraw/zinc/10/74/27/159107427.db2.gz GHANPIMNTYKAFI-CFVMTHIKSA-N 0 0 309.410 0.176 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)nn1 ZINC000329614784 159107448 /nfs/dbraw/zinc/10/74/48/159107448.db2.gz DAHSYSBRYYIMLO-REWJHTLYSA-N 0 0 322.365 0.258 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)CCS1(=O)=O ZINC000329628896 159108047 /nfs/dbraw/zinc/10/80/47/159108047.db2.gz QBGMGYSFHBNUDH-LLVKDONJSA-N 0 0 307.375 0.682 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000329646879 159109032 /nfs/dbraw/zinc/10/90/32/159109032.db2.gz JQLCEBMDUYWQDN-HBJVGIJOSA-N 0 0 306.366 0.737 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329701879 159113094 /nfs/dbraw/zinc/11/30/94/159113094.db2.gz HQJGDBYSGZJYET-AVGNSLFASA-N 0 0 308.382 0.999 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329695758 159113265 /nfs/dbraw/zinc/11/32/65/159113265.db2.gz XPWWRIPXQCWPRF-UONOGXRCSA-N 0 0 305.382 0.528 10 0 DCAERN CN1CN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1=O ZINC000329788036 159120223 /nfs/dbraw/zinc/12/02/23/159120223.db2.gz RPNKJKUZKWIANH-UHFFFAOYSA-N 0 0 302.334 0.189 10 0 DCAERN Cc1nc(Cn2cc(C(=O)N3[C@@H](C)CN(C)C[C@@H]3C)nn2)no1 ZINC000329872411 159125077 /nfs/dbraw/zinc/12/50/77/159125077.db2.gz BJWZPEXFWSUBMC-UWVGGRQHSA-N 0 0 319.369 0.182 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)N(C(C)=O)C1 ZINC000329890205 159127003 /nfs/dbraw/zinc/12/70/03/159127003.db2.gz FWNDMEZAHZENGS-SOUVJXGZSA-N 0 0 320.393 0.682 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329935276 159130495 /nfs/dbraw/zinc/13/04/95/159130495.db2.gz QXBDBVLPYMRSIS-LSDHHAIUSA-N 0 0 323.437 0.711 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@@H](C)O[C@H](CO)C2)cn1 ZINC000329972283 159132705 /nfs/dbraw/zinc/13/27/05/159132705.db2.gz YAODKXWYNXWXEX-UQOMUDLDSA-N 0 0 323.393 0.589 10 0 DCAERN CN1CCc2ccc(S(=O)(=O)N3CC(O)(C4CC4)C3)cc21 ZINC000330154787 159146490 /nfs/dbraw/zinc/14/64/90/159146490.db2.gz OQMXRCPFUXZEJJ-UHFFFAOYSA-N 0 0 308.403 0.824 10 0 DCAERN Cn1nncc1S(=O)(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000330166781 159147364 /nfs/dbraw/zinc/14/73/64/159147364.db2.gz VKUNRDOINNGGFB-GFCCVEGCSA-N 0 0 314.411 0.927 10 0 DCAERN O=C(N1CCCN2c3ccccc3C[C@H]2C1)C1(CO)COC1 ZINC000330214584 159150616 /nfs/dbraw/zinc/15/06/16/159150616.db2.gz GHCUAWQZRZXEBC-AWEZNQCLSA-N 0 0 302.374 0.659 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000330207345 159150696 /nfs/dbraw/zinc/15/06/96/159150696.db2.gz FZLFAFQHLDVHOJ-UMVBOHGHSA-N 0 0 320.393 0.041 10 0 DCAERN O=C1[C@@H](N2CCc3cc[nH]c(=O)c3C2)CCN1C1CCOCC1 ZINC000330271678 159155262 /nfs/dbraw/zinc/15/52/62/159155262.db2.gz WHLQLZXKECCSHE-HNNXBMFYSA-N 0 0 317.389 0.925 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000330341048 159161487 /nfs/dbraw/zinc/16/14/87/159161487.db2.gz YSYJHWPYZPRTHN-SOUVJXGZSA-N 0 0 303.362 0.727 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2ncccn2)CC(C)(C)O1 ZINC000330508148 159183488 /nfs/dbraw/zinc/18/34/88/159183488.db2.gz AFWQKCYWRJDLRX-ZDUSSCGKSA-N 0 0 322.409 0.561 10 0 DCAERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000332759523 159213548 /nfs/dbraw/zinc/21/35/48/159213548.db2.gz UYCZHTWPWWVJMK-ZNMIVQPWSA-N 0 0 309.410 0.670 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000332967748 159217889 /nfs/dbraw/zinc/21/78/89/159217889.db2.gz QSOCPOXHTBDZOW-UWVGGRQHSA-N 0 0 306.370 0.361 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000359248306 159256284 /nfs/dbraw/zinc/25/62/84/159256284.db2.gz GOTFBWRFNQJYIR-LGSVPQMISA-N 0 0 310.394 0.827 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000364202481 159273715 /nfs/dbraw/zinc/27/37/15/159273715.db2.gz KJUOGGCHVSVRDD-BZNIZROVSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)[nH]1 ZINC000366714932 159281206 /nfs/dbraw/zinc/28/12/06/159281206.db2.gz XZQNRVLLBAAHLF-CWSCBRNRSA-N 0 0 313.361 0.992 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367016576 159304456 /nfs/dbraw/zinc/30/44/56/159304456.db2.gz RDXQDXVYQZSXEA-LLVKDONJSA-N 0 0 321.381 0.924 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCCN(CC(F)F)CC1 ZINC000367263889 159325833 /nfs/dbraw/zinc/32/58/33/159325833.db2.gz WLDSOIDFCWEVRE-NSHDSACASA-N 0 0 321.393 0.707 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000367277414 159327012 /nfs/dbraw/zinc/32/70/12/159327012.db2.gz JAORXJQKPVRUOV-NHYWBVRUSA-N 0 0 316.398 0.757 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000372973801 159654022 /nfs/dbraw/zinc/65/40/22/159654022.db2.gz KIDXGZIRKANPJZ-CYBMUJFWSA-N 0 0 307.398 0.263 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2CO)CC1=O ZINC000374209982 159723344 /nfs/dbraw/zinc/72/33/44/159723344.db2.gz DRJJXKFIYZJZPW-ITGHMWBKSA-N 0 0 309.410 0.846 10 0 DCAERN Cc1ccc(F)c(OCC(=O)N[C@@]2(C(N)=O)CCCOC2)c1 ZINC000378326047 159977635 /nfs/dbraw/zinc/97/76/35/159977635.db2.gz KAONBDCRCBUESF-HNNXBMFYSA-N 0 0 310.325 0.664 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000407968303 159999037 /nfs/dbraw/zinc/99/90/37/159999037.db2.gz SRLDKCZVOCZXFJ-JTQLQIEISA-N 0 0 304.350 0.741 10 0 DCAERN Cc1ncncc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000407984440 160002833 /nfs/dbraw/zinc/00/28/33/160002833.db2.gz XTDQKOGTGFIMPH-UHFFFAOYSA-N 0 0 312.395 0.186 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000407989565 160004313 /nfs/dbraw/zinc/00/43/13/160004313.db2.gz KLARIYZBRRGBAE-CHWSQXEVSA-N 0 0 313.423 0.283 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000407989573 160004365 /nfs/dbraw/zinc/00/43/65/160004365.db2.gz KLARIYZBRRGBAE-QWHCGFSZSA-N 0 0 313.423 0.283 10 0 DCAERN CN(C)c1nc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc(=O)[nH]1 ZINC000407988496 160004605 /nfs/dbraw/zinc/00/46/05/160004605.db2.gz HFZYGUTUUIOPHA-NSHDSACASA-N 0 0 307.398 0.805 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@@H]3CCCO3)[C@@H]2C1 ZINC000407991179 160005081 /nfs/dbraw/zinc/00/50/81/160005081.db2.gz SROPWJKISQKPQC-RQJABVFESA-N 0 0 319.423 0.764 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C(C)(C)S(C)(=O)=O)[C@H]2C1 ZINC000407994641 160006132 /nfs/dbraw/zinc/00/61/32/160006132.db2.gz DFGGMODNHLXXSV-GRYCIOLGSA-N 0 0 319.423 0.605 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CC[C@@H](O)C3)CC2)n1 ZINC000408000547 160006918 /nfs/dbraw/zinc/00/69/18/160006918.db2.gz CRZMEJFVYCGUDH-GFCCVEGCSA-N 0 0 306.366 0.295 10 0 DCAERN CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC000408001803 160008061 /nfs/dbraw/zinc/00/80/61/160008061.db2.gz AXBLROGKUKZYLI-WFASDCNBSA-N 0 0 311.426 0.206 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@@H]2CCO)C[C@@H](C)O1 ZINC000408008747 160009907 /nfs/dbraw/zinc/00/99/07/160009907.db2.gz FWYFLVIMIRUOBE-UTUOFQBUSA-N 0 0 324.468 0.140 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408016662 160011809 /nfs/dbraw/zinc/01/18/09/160011809.db2.gz MGFXTPMQSKKTGR-CHWSQXEVSA-N 0 0 312.414 0.016 10 0 DCAERN C[C@@H]1C[C@H](N(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCN1C ZINC000408016544 160012446 /nfs/dbraw/zinc/01/24/46/160012446.db2.gz ICGHYTIJZVLPGU-JHJVBQTASA-N 0 0 317.455 0.640 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CCOC[C@@H]2c2ncnn2C)CCO1 ZINC000408021478 160013733 /nfs/dbraw/zinc/01/37/33/160013733.db2.gz IGRPYUZKSOGOSZ-JHJVBQTASA-N 0 0 323.397 0.713 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408027171 160014588 /nfs/dbraw/zinc/01/45/88/160014588.db2.gz LXBFXDGPGSLBIF-QNWHQSFQSA-N 0 0 322.427 0.076 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)NC1CCC(F)(F)CC1 ZINC000408024109 160014759 /nfs/dbraw/zinc/01/47/59/160014759.db2.gz XOZGZQWIQHEGMA-UHFFFAOYSA-N 0 0 319.395 0.918 10 0 DCAERN COC[C@H]1CN(CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027709 160015633 /nfs/dbraw/zinc/01/56/33/160015633.db2.gz AYNUJYQCCHAFCR-GFCCVEGCSA-N 0 0 306.428 0.148 10 0 DCAERN CNC(=O)C1CCC(NC(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000408030757 160016547 /nfs/dbraw/zinc/01/65/47/160016547.db2.gz NFYCGPAVJSSCBF-UHFFFAOYSA-N 0 0 306.366 0.421 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CCSC3)C2)c1=O ZINC000408036273 160018301 /nfs/dbraw/zinc/01/83/01/160018301.db2.gz QVSVKTFJZOXXOJ-NWDGAFQWSA-N 0 0 322.434 0.618 10 0 DCAERN O=C(CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043029 160020876 /nfs/dbraw/zinc/02/08/76/160020876.db2.gz IYRXTPOUTNFOPB-RBSFLKMASA-N 0 0 312.410 0.097 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408041105 160020956 /nfs/dbraw/zinc/02/09/56/160020956.db2.gz FJPBKLIXUCGUPC-MGPQQGTHSA-N 0 0 305.378 0.374 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000408044638 160022115 /nfs/dbraw/zinc/02/21/15/160022115.db2.gz BEELAWQHYRUFLH-CHWSQXEVSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)O1 ZINC000408052046 160023464 /nfs/dbraw/zinc/02/34/64/160023464.db2.gz KJEYORBKADFGPR-RNJOBUHISA-N 0 0 314.357 0.352 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C12CCC2 ZINC000408051883 160023899 /nfs/dbraw/zinc/02/38/99/160023899.db2.gz JPEOKESNZZQRFX-JJRVBVJISA-N 0 0 324.421 0.824 10 0 DCAERN Cc1noc([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)n1 ZINC000408053307 160024352 /nfs/dbraw/zinc/02/43/52/160024352.db2.gz OEXYRBOHBGFEQO-PWSUYJOCSA-N 0 0 306.366 0.952 10 0 DCAERN Cc1noc([C@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)n1 ZINC000408055406 160025309 /nfs/dbraw/zinc/02/53/09/160025309.db2.gz XVHQKGOGJWFCEL-LBPRGKRZSA-N 0 0 306.366 0.952 10 0 DCAERN COC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CC(C)(C)O1 ZINC000408058160 160025668 /nfs/dbraw/zinc/02/56/68/160025668.db2.gz GTQUDWLKMQSKCH-SNVBAGLBSA-N 0 0 307.412 0.462 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000408059327 160025814 /nfs/dbraw/zinc/02/58/14/160025814.db2.gz CBRRTSIGUYIABQ-GHMZBOCLSA-N 0 0 316.423 0.504 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)nc1C ZINC000408058606 160025973 /nfs/dbraw/zinc/02/59/73/160025973.db2.gz KLSAQXPCZNJAMK-LLVKDONJSA-N 0 0 324.410 0.898 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408062543 160026527 /nfs/dbraw/zinc/02/65/27/160026527.db2.gz HLRUTSNTEOQKAW-MCIONIFRSA-N 0 0 321.377 0.022 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408062537 160026545 /nfs/dbraw/zinc/02/65/45/160026545.db2.gz HLRUTSNTEOQKAW-BFHYXJOUSA-N 0 0 321.377 0.022 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408062199 160026561 /nfs/dbraw/zinc/02/65/61/160026561.db2.gz MCIHZBASFFZRME-JNLQPACOSA-N 0 0 308.378 0.701 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000408070782 160028329 /nfs/dbraw/zinc/02/83/29/160028329.db2.gz KKUDDJFFKDQWTH-DTWKUNHWSA-N 0 0 303.302 0.758 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000408081875 160031883 /nfs/dbraw/zinc/03/18/83/160031883.db2.gz UTZYADCNTUUWOV-NSHDSACASA-N 0 0 319.365 0.270 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@H]1O ZINC000408088544 160033315 /nfs/dbraw/zinc/03/33/15/160033315.db2.gz JTDXOHJGGULTNW-MDZLAQPJSA-N 0 0 315.395 0.236 10 0 DCAERN CC[C@H]1CC[C@@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408091627 160034005 /nfs/dbraw/zinc/03/40/05/160034005.db2.gz VSGPSWOJZNVLJR-MNOVXSKESA-N 0 0 303.366 0.920 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408095405 160035055 /nfs/dbraw/zinc/03/50/55/160035055.db2.gz NDKRDWCWLLVORJ-UHFFFAOYSA-N 0 0 303.428 0.517 10 0 DCAERN CC(C)[C@@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408104609 160036351 /nfs/dbraw/zinc/03/63/51/160036351.db2.gz FWWCDCBPCWOBAR-YNEHKIRRSA-N 0 0 320.455 0.727 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)CCC1=O ZINC000408102825 160036510 /nfs/dbraw/zinc/03/65/10/160036510.db2.gz DELFSZFTCPEEQA-VIFPVBQESA-N 0 0 323.315 0.706 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408112167 160037695 /nfs/dbraw/zinc/03/76/95/160037695.db2.gz ITEBDEXEGSDSFU-LLVKDONJSA-N 0 0 310.398 0.260 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@@H]2C)C1 ZINC000408111730 160037918 /nfs/dbraw/zinc/03/79/18/160037918.db2.gz DLVQKXHSHIZYNZ-QWHCGFSZSA-N 0 0 317.455 0.211 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000408111910 160038031 /nfs/dbraw/zinc/03/80/31/160038031.db2.gz IRXZAUSXHRXSTC-NWDGAFQWSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113167 160038620 /nfs/dbraw/zinc/03/86/20/160038620.db2.gz QNVBLXCAYDOMKW-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000408113705 160038703 /nfs/dbraw/zinc/03/87/03/160038703.db2.gz UOCYIOMXLNKVSE-NXEZZACHSA-N 0 0 310.427 0.651 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408113812 160038806 /nfs/dbraw/zinc/03/88/06/160038806.db2.gz AQVAWZRTLKPDRQ-XCBNKYQSSA-N 0 0 302.352 0.078 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408115563 160039441 /nfs/dbraw/zinc/03/94/41/160039441.db2.gz LDNUKQWHARHWAU-CHWSQXEVSA-N 0 0 318.439 0.589 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)CC(=O)N(C)C ZINC000408115929 160039661 /nfs/dbraw/zinc/03/96/61/160039661.db2.gz MWEGAECYJZFNCY-VXGBXAGGSA-N 0 0 311.426 0.959 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@](F)(CO)C2)C1 ZINC000408120056 160040463 /nfs/dbraw/zinc/04/04/63/160040463.db2.gz SDDGQUQUSIKOAR-WFASDCNBSA-N 0 0 300.374 0.958 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCSC[C@@H]1CCO ZINC000408125761 160042948 /nfs/dbraw/zinc/04/29/48/160042948.db2.gz FEHDFFDVFDMDHN-WDEREUQCSA-N 0 0 318.464 0.624 10 0 DCAERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000408128021 160043047 /nfs/dbraw/zinc/04/30/47/160043047.db2.gz ZLWCGWOHKWQVTE-RYUDHWBXSA-N 0 0 305.382 0.701 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(=O)CC1 ZINC000408138988 160046166 /nfs/dbraw/zinc/04/61/66/160046166.db2.gz DVAGWRGZMLHVEX-UHFFFAOYSA-N 0 0 302.377 0.509 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000408150949 160048309 /nfs/dbraw/zinc/04/83/09/160048309.db2.gz NRDWHCFOUANLNR-CQSZACIVSA-N 0 0 319.409 0.312 10 0 DCAERN CC1CC(NC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408149054 160048339 /nfs/dbraw/zinc/04/83/39/160048339.db2.gz JMGGWJZVPSYRAG-QQFIATSDSA-N 0 0 303.428 0.945 10 0 DCAERN CC1CC(NC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000408149046 160048632 /nfs/dbraw/zinc/04/86/32/160048632.db2.gz JMGGWJZVPSYRAG-HCWSGVFWSA-N 0 0 303.428 0.945 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](C(=O)N2CCc3c(F)cc(F)cc3C2)O1 ZINC000408152480 160048967 /nfs/dbraw/zinc/04/89/67/160048967.db2.gz ASOIQJNKNMFYPZ-OLZOCXBDSA-N 0 0 310.300 0.882 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000408152276 160049160 /nfs/dbraw/zinc/04/91/60/160049160.db2.gz YOTUHKJXDWIWRW-MELADBBJSA-N 0 0 311.426 0.613 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408160735 160049758 /nfs/dbraw/zinc/04/97/58/160049758.db2.gz XEGWVKANOQRNES-QJPTWQEYSA-N 0 0 304.412 0.342 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCC(=O)[C@@H](C)C2)CC1 ZINC000408159348 160049780 /nfs/dbraw/zinc/04/97/80/160049780.db2.gz PMHHSQLSFSPVST-NSHDSACASA-N 0 0 316.423 0.486 10 0 DCAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCn2ccnc2C1 ZINC000408163132 160050157 /nfs/dbraw/zinc/05/01/57/160050157.db2.gz BPJCVDHVCOZIBQ-SECBINFHSA-N 0 0 316.283 0.636 10 0 DCAERN CCCN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408164179 160050599 /nfs/dbraw/zinc/05/05/99/160050599.db2.gz HCGCYEMARBHQJB-SDDRHHMPSA-N 0 0 316.423 0.327 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000408169101 160052037 /nfs/dbraw/zinc/05/20/37/160052037.db2.gz LFULFVCGFBKYON-CHWSQXEVSA-N 0 0 309.410 0.759 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2nnc(C3CC3)n2C)C1 ZINC000408175177 160052664 /nfs/dbraw/zinc/05/26/64/160052664.db2.gz XLJNDQVPACCMKD-SNVBAGLBSA-N 0 0 313.427 0.759 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000408187994 160055697 /nfs/dbraw/zinc/05/56/97/160055697.db2.gz BQTKPQONKYXEST-MNOVXSKESA-N 0 0 302.396 0.856 10 0 DCAERN Cc1c(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1S(N)(=O)=O ZINC000408188721 160056018 /nfs/dbraw/zinc/05/60/18/160056018.db2.gz UKBVMVAJWNOZCU-DRZSPHRISA-N 0 0 324.402 0.485 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000408189145 160056212 /nfs/dbraw/zinc/05/62/12/160056212.db2.gz LRWNCWBEZGMYGH-LLVKDONJSA-N 0 0 304.412 0.031 10 0 DCAERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000408194822 160057639 /nfs/dbraw/zinc/05/76/39/160057639.db2.gz JMCKMOFUUBLFRN-ZLMDCXFVSA-N 0 0 303.428 0.452 10 0 DCAERN CCc1nc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)co1 ZINC000408195586 160057677 /nfs/dbraw/zinc/05/76/77/160057677.db2.gz RGGBCGYXMKHDAT-LBPRGKRZSA-N 0 0 321.377 0.948 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)cc12 ZINC000408198652 160058543 /nfs/dbraw/zinc/05/85/43/160058543.db2.gz ULTWJTODDOXTFJ-MRVPVSSYSA-N 0 0 308.363 0.525 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1C ZINC000408204039 160059017 /nfs/dbraw/zinc/05/90/17/160059017.db2.gz SQXHKDHPXKQJHD-VHSXEESVSA-N 0 0 314.411 0.618 10 0 DCAERN Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000408218230 160062333 /nfs/dbraw/zinc/06/23/33/160062333.db2.gz HKRPPFCNWJQZEJ-NXEZZACHSA-N 0 0 317.349 0.926 10 0 DCAERN COc1c(CNS(=O)(=O)N2CC[C@H](C)C2)c(C)nn1C ZINC000408230026 160064595 /nfs/dbraw/zinc/06/45/95/160064595.db2.gz AVWMOHXALJTJGZ-VIFPVBQESA-N 0 0 302.400 0.413 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCCC[C@H]2C)CC1=O ZINC000408235868 160065903 /nfs/dbraw/zinc/06/59/03/160065903.db2.gz GMNQNDFAMBCMER-LPWJVIDDSA-N 0 0 315.439 0.705 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CCC(C)CC2)CC1=O ZINC000408239145 160066863 /nfs/dbraw/zinc/06/68/63/160066863.db2.gz VRVCXLGYSYKQTR-JHJVBQTASA-N 0 0 315.439 0.562 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CC(F)(F)F ZINC000408242499 160067713 /nfs/dbraw/zinc/06/77/13/160067713.db2.gz VFCJMHGUWBEAFV-SFYZADRCSA-N 0 0 302.318 0.915 10 0 DCAERN COC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408245304 160068469 /nfs/dbraw/zinc/06/84/69/160068469.db2.gz UMYDVCHLGKCOIN-LBPRGKRZSA-N 0 0 308.378 0.801 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000408243816 160068650 /nfs/dbraw/zinc/06/86/50/160068650.db2.gz BHNXVHKSPYHHPU-SUMWQHHRSA-N 0 0 321.421 0.764 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408247015 160069407 /nfs/dbraw/zinc/06/94/07/160069407.db2.gz MFLMRXSYKUCYHR-MRXNPFEDSA-N 0 0 307.394 0.518 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408253063 160069979 /nfs/dbraw/zinc/06/99/79/160069979.db2.gz WOYVMARXGFAYRE-WBMJQRKESA-N 0 0 322.409 0.309 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000408256708 160070786 /nfs/dbraw/zinc/07/07/86/160070786.db2.gz MPEKDEUATRERBU-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)no1 ZINC000408254780 160070812 /nfs/dbraw/zinc/07/08/12/160070812.db2.gz OZSPPXCWXMGRNL-GFCCVEGCSA-N 0 0 321.381 0.922 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408260524 160071400 /nfs/dbraw/zinc/07/14/00/160071400.db2.gz VWAOJGNIKKRHBI-BLLLJJGKSA-N 0 0 317.393 0.579 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@H](C)[C@H](O)C2)c(=O)c1 ZINC000408264329 160072194 /nfs/dbraw/zinc/07/21/94/160072194.db2.gz JFXNSPDPCRXQRD-ZENOOKHLSA-N 0 0 308.378 0.137 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000408268674 160072591 /nfs/dbraw/zinc/07/25/91/160072591.db2.gz CHJPMEIRUHWNBJ-HNNXBMFYSA-N 0 0 305.334 0.809 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CC(=O)N(C)C2)CC[S@]1=O ZINC000408274519 160074299 /nfs/dbraw/zinc/07/42/99/160074299.db2.gz ZXRLHAVOPUKVRD-PRWKNARSSA-N 0 0 300.424 0.614 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(C)C2)CC[S@@]1=O ZINC000408274516 160074404 /nfs/dbraw/zinc/07/44/04/160074404.db2.gz ZXRLHAVOPUKVRD-GIPWTMENSA-N 0 0 300.424 0.614 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000408289206 160077582 /nfs/dbraw/zinc/07/75/82/160077582.db2.gz CBSCXJJNJAYRPS-WXRRBKDZSA-N 0 0 318.439 0.466 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 ZINC000408300500 160079973 /nfs/dbraw/zinc/07/99/73/160079973.db2.gz HPFWBHLFHGZUBJ-NXEZZACHSA-N 0 0 321.424 0.099 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)C1 ZINC000408307975 160081300 /nfs/dbraw/zinc/08/13/00/160081300.db2.gz GOJVZJPBVYGLTB-BOIWKARXSA-N 0 0 320.480 0.886 10 0 DCAERN Cc1c(C(=O)N2CC(CO)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000408324966 160085271 /nfs/dbraw/zinc/08/52/71/160085271.db2.gz UAIJWHCVPTTYJN-UHFFFAOYSA-N 0 0 319.386 0.777 10 0 DCAERN CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000408329716 160086070 /nfs/dbraw/zinc/08/60/70/160086070.db2.gz FXFBVEUOTYYERI-IINYFYTJSA-N 0 0 300.424 0.618 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000408333844 160086706 /nfs/dbraw/zinc/08/67/06/160086706.db2.gz IYDYXTSFOJJVPK-NWDGAFQWSA-N 0 0 319.423 0.895 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000408341485 160088186 /nfs/dbraw/zinc/08/81/86/160088186.db2.gz RKLXUBXFGNFPON-GHMZBOCLSA-N 0 0 317.411 0.089 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000408348196 160089535 /nfs/dbraw/zinc/08/95/35/160089535.db2.gz FXGQUAZEFCEYAI-NWDGAFQWSA-N 0 0 310.398 0.165 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000408347671 160089645 /nfs/dbraw/zinc/08/96/45/160089645.db2.gz AAQZVLKSSRQESX-SDDRHHMPSA-N 0 0 323.397 0.374 10 0 DCAERN COC(=O)C1(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000408353743 160090417 /nfs/dbraw/zinc/09/04/17/160090417.db2.gz DHRHRGKOXYSEAN-CQSZACIVSA-N 0 0 309.366 0.251 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000408352212 160090463 /nfs/dbraw/zinc/09/04/63/160090463.db2.gz NQCAVAHOTNFTOJ-PWSUYJOCSA-N 0 0 306.353 0.572 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408354418 160090848 /nfs/dbraw/zinc/09/08/48/160090848.db2.gz HQQLFWTZKVBDHC-QWHCGFSZSA-N 0 0 322.409 0.261 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3ncc(C)s3)CC2)C1 ZINC000408354256 160090924 /nfs/dbraw/zinc/09/09/24/160090924.db2.gz JCQCHPAJYAYZBI-ZDUSSCGKSA-N 0 0 322.434 0.969 10 0 DCAERN CCCNS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000408363022 160092555 /nfs/dbraw/zinc/09/25/55/160092555.db2.gz SXCSRJINRGOUJD-CYBMUJFWSA-N 0 0 305.444 0.418 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@]3(C)CCCNC3=O)CC2)c1 ZINC000408369744 160093789 /nfs/dbraw/zinc/09/37/89/160093789.db2.gz BCSNEPMLUGDXOE-QGZVFWFLSA-N 0 0 316.405 0.955 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC[C@@H]1O ZINC000408374868 160094403 /nfs/dbraw/zinc/09/44/03/160094403.db2.gz IYQXCITZKTVCEF-KWQFWETISA-N 0 0 316.354 0.316 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC000408377017 160095297 /nfs/dbraw/zinc/09/52/97/160095297.db2.gz YWHBEZNRYVDRFL-UPJWGTAASA-N 0 0 318.439 0.732 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(C(F)F)CC1 ZINC000408378575 160095347 /nfs/dbraw/zinc/09/53/47/160095347.db2.gz WBAFUUWKXPDULH-SECBINFHSA-N 0 0 322.377 0.917 10 0 DCAERN C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCC1=O ZINC000408385885 160097425 /nfs/dbraw/zinc/09/74/25/160097425.db2.gz MPXBLRRFMQLSTC-JTQLQIEISA-N 0 0 300.318 0.229 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 ZINC000408389411 160098217 /nfs/dbraw/zinc/09/82/17/160098217.db2.gz JUDHMZSAGLLWFQ-SOUVJXGZSA-N 0 0 320.393 0.625 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408391969 160099197 /nfs/dbraw/zinc/09/91/97/160099197.db2.gz AKZYYHKKAKDWKM-AGIUHOORSA-N 0 0 318.439 0.588 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000408394194 160099297 /nfs/dbraw/zinc/09/92/97/160099297.db2.gz ISIRAUDUZWKXHM-QJPTWQEYSA-N 0 0 304.412 0.483 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408397636 160100723 /nfs/dbraw/zinc/10/07/23/160100723.db2.gz VOWBEOAKUURODP-HNNXBMFYSA-N 0 0 302.334 0.529 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CCO1 ZINC000408404233 160101130 /nfs/dbraw/zinc/10/11/30/160101130.db2.gz FUVLQBMKFLBUEB-NWDGAFQWSA-N 0 0 309.370 0.478 10 0 DCAERN CSC1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000408406831 160102123 /nfs/dbraw/zinc/10/21/23/160102123.db2.gz OVTKDGVPAAFSNK-SECBINFHSA-N 0 0 307.441 0.215 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@H]3CO)c(O)c2O1 ZINC000408410309 160102585 /nfs/dbraw/zinc/10/25/85/160102585.db2.gz NPMCVOHWKOMHRW-QWRGUYRKSA-N 0 0 307.346 0.673 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000408411439 160102708 /nfs/dbraw/zinc/10/27/08/160102708.db2.gz HMNVQUOXLUQPSR-QCNOEVLYSA-N 0 0 304.412 0.244 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc3c(cc2O)CCCC3)C1 ZINC000408410245 160103018 /nfs/dbraw/zinc/10/30/18/160103018.db2.gz MIFUJBFNJBUSKQ-GFCCVEGCSA-N 0 0 324.402 0.774 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCOCC2)C1 ZINC000408414015 160103550 /nfs/dbraw/zinc/10/35/50/160103550.db2.gz XFPACOHQSMVLPP-GFCCVEGCSA-N 0 0 319.427 0.136 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408420704 160104164 /nfs/dbraw/zinc/10/41/64/160104164.db2.gz ZELRMDZZBUFOBJ-RWMBFGLXSA-N 0 0 320.455 0.823 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408431801 160106792 /nfs/dbraw/zinc/10/67/92/160106792.db2.gz BYWYXSIRDJUOLD-OUAUKWLOSA-N 0 0 312.457 0.044 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408452056 160111249 /nfs/dbraw/zinc/11/12/49/160111249.db2.gz NLDXVUCVDTZUNS-CHWSQXEVSA-N 0 0 318.439 0.277 10 0 DCAERN CC(C)(C)[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000408453366 160111567 /nfs/dbraw/zinc/11/15/67/160111567.db2.gz UCIIAZAPMMEKPD-OLZOCXBDSA-N 0 0 311.426 0.457 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000408455478 160111738 /nfs/dbraw/zinc/11/17/38/160111738.db2.gz DHJKTQVAPZVNBY-VIFPVBQESA-N 0 0 323.374 0.147 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408459561 160112513 /nfs/dbraw/zinc/11/25/13/160112513.db2.gz IXNFRVUVZWUBCS-MGPQQGTHSA-N 0 0 320.455 0.272 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2nnc(C(F)(F)F)s2)C1 ZINC000408467039 160114168 /nfs/dbraw/zinc/11/41/68/160114168.db2.gz KFNJDHJGZLUXPB-RXMQYKEDSA-N 0 0 316.330 0.685 10 0 DCAERN C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467682 160114829 /nfs/dbraw/zinc/11/48/29/160114829.db2.gz OEUXVRBXZAIPRR-AVGNSLFASA-N 0 0 311.451 0.693 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H](O)[C@@H]1C ZINC000408470618 160115288 /nfs/dbraw/zinc/11/52/88/160115288.db2.gz UZTCFPYXMHLVJS-QXEWZRGKSA-N 0 0 311.411 0.860 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncccc2Br)C1 ZINC000408471873 160115481 /nfs/dbraw/zinc/11/54/81/160115481.db2.gz TUOBOSYUKTZQPB-MRVPVSSYSA-N 0 0 320.212 0.972 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122739982 292433121 /nfs/dbraw/zinc/43/31/21/292433121.db2.gz JKYYWHQUPDQQDU-CHWSQXEVSA-N 0 0 306.428 0.436 10 0 DCAERN Cn1nccc1CNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000030650943 286884173 /nfs/dbraw/zinc/88/41/73/286884173.db2.gz QKZXSWJZGRXTDQ-UHFFFAOYSA-N 0 0 313.361 0.780 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)CCc1ccccc1O ZINC000051461917 286894276 /nfs/dbraw/zinc/89/42/76/286894276.db2.gz ITSCIQXTQRKCHW-UHFFFAOYSA-N 0 0 314.407 0.770 10 0 DCAERN Cc1ccc(I)c(C(=O)NCC(N)=O)c1 ZINC000067247000 286905846 /nfs/dbraw/zinc/90/58/46/286905846.db2.gz ZDYBRJGGOVUCEP-UHFFFAOYSA-N 0 0 318.114 0.815 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)n1 ZINC000070143386 286909901 /nfs/dbraw/zinc/90/99/01/286909901.db2.gz IYLOYTJNOYTKMW-APPZFPTMSA-N 0 0 312.757 0.314 10 0 DCAERN Cc1c([C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)cnn1C ZINC000075835823 286918792 /nfs/dbraw/zinc/91/87/92/286918792.db2.gz AVLSRPZAZIVNLT-QMMMGPOBSA-N 0 0 307.354 0.236 10 0 DCAERN CN(C)c1nc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)ns1 ZINC000121122141 286954017 /nfs/dbraw/zinc/95/40/17/286954017.db2.gz KJQJRWUYNKPGII-SNVBAGLBSA-N 0 0 316.452 0.756 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCCC2(C)C)n(C)n1 ZINC000126510350 286971999 /nfs/dbraw/zinc/97/19/99/286971999.db2.gz VURMTTDNQMCZOH-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@H](CN1CCC(C)(C)S(=O)(=O)CC1)CS(C)(=O)=O ZINC000194973553 298545685 /nfs/dbraw/zinc/54/56/85/298545685.db2.gz UZKSRBPUDYNGTG-LLVKDONJSA-N 0 0 311.469 0.566 10 0 DCAERN C[C@@H](C[NH+]1CCN(CCS(N)(=O)=O)CC1)c1ccccc1 ZINC000132105268 287003568 /nfs/dbraw/zinc/00/35/68/287003568.db2.gz KVEJYVBSTCYQFQ-AWEZNQCLSA-N 0 0 311.451 0.696 10 0 DCAERN COC(=O)C1(NC[C@@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000133669073 287012348 /nfs/dbraw/zinc/01/23/48/287012348.db2.gz JZAXKLCHPCSRHB-LBPRGKRZSA-N 0 0 318.439 0.733 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000133206764 287009637 /nfs/dbraw/zinc/00/96/37/287009637.db2.gz XSFTYBNEJHPPBS-CQSZACIVSA-N 0 0 314.426 0.533 10 0 DCAERN CC(=O)NCCNC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000133779979 287012862 /nfs/dbraw/zinc/01/28/62/287012862.db2.gz RNUXENXXMWTQIA-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN CN(C)C(=O)CN(C)c1ncc(I)cn1 ZINC000134505065 287016933 /nfs/dbraw/zinc/01/69/33/287016933.db2.gz GDGXJERHBFXVQZ-UHFFFAOYSA-N 0 0 320.134 0.606 10 0 DCAERN COCC(=O)N(C)CC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000135890244 287024697 /nfs/dbraw/zinc/02/46/97/287024697.db2.gz QCZMFASNQOEOOK-SNVBAGLBSA-N 0 0 310.398 0.189 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)NC2CCCCC2)c(=O)[nH]c1C ZINC000137361091 287028449 /nfs/dbraw/zinc/02/84/49/287028449.db2.gz OWLCHIIQOPOJMQ-UHFFFAOYSA-N 0 0 320.393 0.956 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)COC ZINC000149966426 287030427 /nfs/dbraw/zinc/03/04/27/287030427.db2.gz BXNXSEKGVPYJSG-NEPJUHHUSA-N 0 0 306.428 0.589 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)COC ZINC000149966205 287030454 /nfs/dbraw/zinc/03/04/54/287030454.db2.gz BXNXSEKGVPYJSG-VXGBXAGGSA-N 0 0 306.428 0.589 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000150714557 287030460 /nfs/dbraw/zinc/03/04/60/287030460.db2.gz VWCGKHSXUOAGGU-QWHCGFSZSA-N 0 0 317.389 0.885 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000151863952 287036742 /nfs/dbraw/zinc/03/67/42/287036742.db2.gz YGQWQGHLYKWQKM-MNOVXSKESA-N 0 0 316.361 0.718 10 0 DCAERN C[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000177365876 287054439 /nfs/dbraw/zinc/05/44/39/287054439.db2.gz NZZLISCDEUSART-GUYCJALGSA-N 0 0 318.373 0.980 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000177367021 287054604 /nfs/dbraw/zinc/05/46/04/287054604.db2.gz XTXWJEBHAWMJIN-MGPQQGTHSA-N 0 0 312.410 0.944 10 0 DCAERN CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193390987 287060814 /nfs/dbraw/zinc/06/08/14/287060814.db2.gz SNAWNHIRBSPUAM-UHFFFAOYSA-N 0 0 302.334 0.701 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC(=O)N[C@H]3CCCC[C@H]32)[nH]1 ZINC000245555879 287070577 /nfs/dbraw/zinc/07/05/77/287070577.db2.gz IRUFDICVPFUSQJ-GXTWGEPZSA-N 0 0 304.394 0.960 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000246034716 287075380 /nfs/dbraw/zinc/07/53/80/287075380.db2.gz AQUXLGOIYLKZLK-STQMWFEESA-N 0 0 320.455 0.130 10 0 DCAERN CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246090194 287076518 /nfs/dbraw/zinc/07/65/18/287076518.db2.gz GPYJVVKYTYOLIU-XQQFMLRXSA-N 0 0 307.460 0.660 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246103599 287076882 /nfs/dbraw/zinc/07/68/82/287076882.db2.gz MZTDCCKOZCKPIK-QWHCGFSZSA-N 0 0 307.460 0.350 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)[C@@H](C)CO1 ZINC000246180986 287078392 /nfs/dbraw/zinc/07/83/92/287078392.db2.gz GZWVEDXJAZPQSI-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000246509297 287084580 /nfs/dbraw/zinc/08/45/80/287084580.db2.gz UBPFQWAFADNBAK-OBJOEFQTSA-N 0 0 309.410 0.761 10 0 DCAERN COCCN1CCN([C@@H](C(=O)OC)c2cccnc2)C[C@H]1C ZINC000246516458 287084857 /nfs/dbraw/zinc/08/48/57/287084857.db2.gz ULNVFDURVJYRKE-UKRRQHHQSA-N 0 0 307.394 0.948 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CCOC2)ncn1 ZINC000246515252 287084894 /nfs/dbraw/zinc/08/48/94/287084894.db2.gz IOCLEDOJNZQUDH-RYUDHWBXSA-N 0 0 320.397 0.575 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246327141 287081470 /nfs/dbraw/zinc/08/14/70/287081470.db2.gz ZOGZLOWEQPFITM-STQMWFEESA-N 0 0 307.460 0.350 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246376632 287082154 /nfs/dbraw/zinc/08/21/54/287082154.db2.gz MQUCFLDQSWPSNO-GHMZBOCLSA-N 0 0 312.457 0.376 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246903005 287089062 /nfs/dbraw/zinc/08/90/62/287089062.db2.gz FSEGKTNWRAQVBR-KGLIPLIRSA-N 0 0 319.405 0.847 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000247424931 287093673 /nfs/dbraw/zinc/09/36/73/287093673.db2.gz KPJMGTVQDOPEEM-NWDGAFQWSA-N 0 0 306.428 0.747 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247412287 287093700 /nfs/dbraw/zinc/09/37/00/287093700.db2.gz SVDFTWMYWUWMQE-TUAOUCFPSA-N 0 0 312.414 0.635 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000247175064 287091843 /nfs/dbraw/zinc/09/18/43/287091843.db2.gz UIRKOLGWEVBQKG-UTUOFQBUSA-N 0 0 304.412 0.519 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000247214850 287092042 /nfs/dbraw/zinc/09/20/42/287092042.db2.gz YCYJXOGELLGTOB-NEPJUHHUSA-N 0 0 323.368 0.678 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)on1 ZINC000247234867 287092512 /nfs/dbraw/zinc/09/25/12/287092512.db2.gz XZVJRRVLLADNBD-ZJUUUORDSA-N 0 0 301.368 0.429 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000248529488 287098100 /nfs/dbraw/zinc/09/81/00/287098100.db2.gz DRNCIHHQOVMJDC-VXGBXAGGSA-N 0 0 315.439 0.564 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831374 287102018 /nfs/dbraw/zinc/10/20/18/287102018.db2.gz HMWVLNAIFCKXOW-UWVGGRQHSA-N 0 0 321.299 0.277 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000248911004 287103490 /nfs/dbraw/zinc/10/34/90/287103490.db2.gz IYULIYGRHPVYSS-KGYLQXTDSA-N 0 0 304.412 0.342 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000248690601 287100177 /nfs/dbraw/zinc/10/01/77/287100177.db2.gz JCXGRGQTIDEMEH-TUAOUCFPSA-N 0 0 323.397 0.467 10 0 DCAERN C[C@H]1CN(C[C@@H](O)CC2CCCC2)CCN1S(C)(=O)=O ZINC000249041785 287105572 /nfs/dbraw/zinc/10/55/72/287105572.db2.gz GUANBKXHEWAFFX-JSGCOSHPSA-N 0 0 304.456 0.893 10 0 DCAERN CC1(C)[C@H](NC(=O)NCc2cc(C(N)=O)co2)[C@H]2CCO[C@H]21 ZINC000252001377 287120226 /nfs/dbraw/zinc/12/02/26/287120226.db2.gz WOWDAMWTYYHVME-IJLUTSLNSA-N 0 0 307.350 0.991 10 0 DCAERN CCn1c(N)c(C(=O)CN2C[C@@H](C)CC[C@H]2C)c(=O)[nH]c1=O ZINC000253554507 287121566 /nfs/dbraw/zinc/12/15/66/287121566.db2.gz OUULJNSAXKACDM-VHSXEESVSA-N 0 0 308.382 0.854 10 0 DCAERN O=C(CN1CCc2ccccc2C1=O)NC[C@@H](CO)C1CC1 ZINC000358308482 287206702 /nfs/dbraw/zinc/20/67/02/287206702.db2.gz JFHCZAYRIZCRDA-AWEZNQCLSA-N 0 0 302.374 0.820 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000358395967 287208440 /nfs/dbraw/zinc/20/84/40/287208440.db2.gz NLMQODYZPFKJNV-GHMZBOCLSA-N 0 0 311.386 0.629 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NC[C@H](CO)C1CC1 ZINC000358606714 287211764 /nfs/dbraw/zinc/21/17/64/287211764.db2.gz PHWSWVLZZQHSML-CYBMUJFWSA-N 0 0 306.366 0.129 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN2CCOC[C@@H]2C1 ZINC000363871162 287218800 /nfs/dbraw/zinc/21/88/00/287218800.db2.gz ZTWLUPKPZQUCLB-NSHDSACASA-N 0 0 302.334 0.425 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000375116621 287227168 /nfs/dbraw/zinc/22/71/68/287227168.db2.gz WHHQQBDAQGAWNK-SWLSCSKDSA-N 0 0 313.398 0.348 10 0 DCAERN CS(=O)(=O)N1CCCN(Cc2ncnn2CC(F)F)CC1 ZINC000408355290 287233788 /nfs/dbraw/zinc/23/37/88/287233788.db2.gz RGNGSSIVLLKRJP-UHFFFAOYSA-N 0 0 323.369 0.011 10 0 DCAERN CCNC(=O)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000129488461 196052084 /nfs/dbraw/zinc/05/20/84/196052084.db2.gz AZSWGKKCSWLMPA-UHFFFAOYSA-N 0 0 318.782 0.366 10 0 DCAERN c1nnc2c(N[C@H]3CCN(c4ccc5nncn5n4)C3)nccn12 ZINC000624533030 412435688 /nfs/dbraw/zinc/43/56/88/412435688.db2.gz ICUNJWIRIBHPEB-JTQLQIEISA-N 0 0 322.336 0.253 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)n1 ZINC000490917854 412472748 /nfs/dbraw/zinc/47/27/48/412472748.db2.gz IOEFEZRSGUICKL-UHFFFAOYSA-N 0 0 302.338 0.488 10 0 DCAERN CN(C)c1cccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005598742 415132729 /nfs/dbraw/zinc/13/27/29/415132729.db2.gz AMQOUPDRYUDGKF-GFCCVEGCSA-N 0 0 318.420 0.681 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)NC(=O)NC1CCCC1 ZINC000027566339 415175056 /nfs/dbraw/zinc/17/50/56/415175056.db2.gz BIKMKWVNLWEEIV-GFCCVEGCSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)c1csc(NC(=O)NCCNS(C)(=O)=O)n1 ZINC000043601335 415217289 /nfs/dbraw/zinc/21/72/89/415217289.db2.gz GCBBITDHDBCBPQ-UHFFFAOYSA-N 0 0 306.413 0.937 10 0 DCAERN CCN(C(=O)N[C@H](C)[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000046973320 415264572 /nfs/dbraw/zinc/26/45/72/415264572.db2.gz BNLXKTFSIOZZPO-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000051470472 415313541 /nfs/dbraw/zinc/31/35/41/415313541.db2.gz VNJZGDYHYMSWFN-GFCCVEGCSA-N 0 0 316.427 0.507 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NC(C)(C)C(N)=O)c1=O ZINC000057050621 415336560 /nfs/dbraw/zinc/33/65/60/415336560.db2.gz PLZOKTAZLWVKDF-UHFFFAOYSA-N 0 0 304.350 0.203 10 0 DCAERN COCCCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068415302 415394309 /nfs/dbraw/zinc/39/43/09/415394309.db2.gz IYTNFNFDSVWJBB-UHFFFAOYSA-N 0 0 306.410 0.990 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000068418671 415395396 /nfs/dbraw/zinc/39/53/96/415395396.db2.gz HIIGSBPZENIXHE-NEPJUHHUSA-N 0 0 318.377 0.921 10 0 DCAERN CSCCC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000068498143 415395689 /nfs/dbraw/zinc/39/56/89/415395689.db2.gz CYDZMRQYGXGVJO-UHFFFAOYSA-N 0 0 301.456 0.656 10 0 DCAERN C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)(C)C ZINC000067541920 415380300 /nfs/dbraw/zinc/38/03/00/415380300.db2.gz HADUYPYZCCQHBZ-SECBINFHSA-N 0 0 316.361 0.956 10 0 DCAERN COC(=O)[C@](C)(O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000081536742 415484385 /nfs/dbraw/zinc/48/43/85/415484385.db2.gz RPRFYDMAQQMEIZ-SNVBAGLBSA-N 0 0 308.260 0.037 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCNC2=O)[C@]12CCCO2 ZINC000332860895 415496309 /nfs/dbraw/zinc/49/63/09/415496309.db2.gz VWAGNWWKYUDQQK-UUIJZJDISA-N 0 0 311.382 0.243 10 0 DCAERN C[C@H]1C[C@@H]1Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000276203176 415450712 /nfs/dbraw/zinc/45/07/12/415450712.db2.gz JAVJUFJNIANNGS-JQWIXIFHSA-N 0 0 309.391 0.773 10 0 DCAERN CCc1nc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)no1 ZINC000332750971 415462958 /nfs/dbraw/zinc/46/29/58/415462958.db2.gz AFVAGKJRDKGIBC-VXGBXAGGSA-N 0 0 323.397 0.289 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086432119 415510265 /nfs/dbraw/zinc/51/02/65/415510265.db2.gz JRSOOEQZINOOMO-SNVBAGLBSA-N 0 0 302.338 0.762 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(OCC(F)F)n2)C1 ZINC000089847920 415520680 /nfs/dbraw/zinc/52/06/80/415520680.db2.gz SZIQZYQQBCLLMB-UHFFFAOYSA-N 0 0 313.304 0.934 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1O ZINC000089427121 415522688 /nfs/dbraw/zinc/52/26/88/415522688.db2.gz IOKCEDWKPCQWAK-BBBLOLIVSA-N 0 0 308.300 0.627 10 0 DCAERN CN1CCc2ccc(S(=O)(=O)N[C@H]3CCCNC3=O)cc21 ZINC000333031843 415539402 /nfs/dbraw/zinc/53/94/02/415539402.db2.gz AQKLDRLIUYJUQF-LBPRGKRZSA-N 0 0 309.391 0.236 10 0 DCAERN CC(C)(C)n1nc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C1CC1 ZINC000091783236 415539925 /nfs/dbraw/zinc/53/99/25/415539925.db2.gz XHSBNHQDXVOSMQ-ZDUSSCGKSA-N 0 0 320.393 0.842 10 0 DCAERN O=C(Nc1nn[nH]n1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894795 415602851 /nfs/dbraw/zinc/60/28/51/415602851.db2.gz DNEYNXHPOSBXDY-LLVKDONJSA-N 0 0 300.322 0.229 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838797 415603216 /nfs/dbraw/zinc/60/32/16/415603216.db2.gz ZDOXBXZORXBCMJ-BYCMXARLSA-N 0 0 304.394 0.446 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)no1 ZINC000103044096 415607335 /nfs/dbraw/zinc/60/73/35/415607335.db2.gz OLEJYOHIHZPLSX-VXGBXAGGSA-N 0 0 306.366 0.637 10 0 DCAERN CN1CCN(CC(=O)N[C@@H]2CCc3ccccc3C2)CC1=O ZINC000333308012 415607435 /nfs/dbraw/zinc/60/74/35/415607435.db2.gz UTIBAOQZQDFKFY-OAHLLOKOSA-N 0 0 301.390 0.434 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)COC ZINC000103432725 415615982 /nfs/dbraw/zinc/61/59/82/415615982.db2.gz UJSCHJRBZFMGKD-JTQLQIEISA-N 0 0 312.391 0.766 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)C1 ZINC000343489461 415615909 /nfs/dbraw/zinc/61/59/09/415615909.db2.gz ZTUFMWVMQJTIOR-QJPTWQEYSA-N 0 0 304.412 0.078 10 0 DCAERN COC[C@H](C)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000103380494 415618292 /nfs/dbraw/zinc/61/82/92/415618292.db2.gz GQERZKJJYSWPQM-LBPRGKRZSA-N 0 0 314.407 0.505 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000104361032 415624128 /nfs/dbraw/zinc/62/41/28/415624128.db2.gz NEMKXCYMINAEHZ-DGCLKSJQSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1CCOC1 ZINC000106840228 415648599 /nfs/dbraw/zinc/64/85/99/415648599.db2.gz OHAFRKRRUJCPAA-CYBMUJFWSA-N 0 0 324.402 0.988 10 0 DCAERN CCCN1C[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1=O ZINC000333206715 415582466 /nfs/dbraw/zinc/58/24/66/415582466.db2.gz YZNNOLSAWANZMQ-MCIONIFRSA-N 0 0 309.410 0.176 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3ccccc3S(C)(=O)=O)CC[C@@H]21 ZINC000284551802 415595229 /nfs/dbraw/zinc/59/52/29/415595229.db2.gz LNOMHUWTVBZBBX-MNOVXSKESA-N 0 0 309.391 0.692 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000333451666 415652134 /nfs/dbraw/zinc/65/21/34/415652134.db2.gz LWNCNDQPUOUEDD-WDEREUQCSA-N 0 0 316.365 0.294 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CO1 ZINC000333463225 415657157 /nfs/dbraw/zinc/65/71/57/415657157.db2.gz QAGMORJRQYOQMU-VXGBXAGGSA-N 0 0 302.440 0.371 10 0 DCAERN CC(C)(C)c1nnc(CNC(=O)N2CCNC[C@](C)(F)C2)[nH]1 ZINC000333524793 415673157 /nfs/dbraw/zinc/67/31/57/415673157.db2.gz HCLTYLHMIYEVIW-AWEZNQCLSA-N 0 0 312.393 0.945 10 0 DCAERN COC(=O)CCCc1nc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000111220861 415689269 /nfs/dbraw/zinc/68/92/69/415689269.db2.gz LGUQWERAPFJWFZ-QWRGUYRKSA-N 0 0 324.381 0.651 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccnn2C)C1)c1nc[nH]n1 ZINC000333754674 415730268 /nfs/dbraw/zinc/73/02/68/415730268.db2.gz UGYRZVVDRIEVPT-GHMZBOCLSA-N 0 0 318.385 0.567 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112164855 415705940 /nfs/dbraw/zinc/70/59/40/415705940.db2.gz KDGUETCDIUIMMJ-UHFFFAOYSA-N 0 0 319.390 0.894 10 0 DCAERN COc1c(C(=O)N2CCC(n3cncn3)CC2)c(C)nn1C ZINC000112280762 415708431 /nfs/dbraw/zinc/70/84/31/415708431.db2.gz BQTGSDNOYOYUNS-UHFFFAOYSA-N 0 0 304.354 0.806 10 0 DCAERN CCC(=O)N1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000333780565 415738978 /nfs/dbraw/zinc/73/89/78/415738978.db2.gz UJLJPRQUVXJNOK-LLVKDONJSA-N 0 0 310.398 0.660 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NC(C)(C)CN2CCOCC2)CCO1 ZINC000333923431 415765287 /nfs/dbraw/zinc/76/52/87/415765287.db2.gz SDXPOLPNDPYGQS-QWHCGFSZSA-N 0 0 320.455 0.584 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)CCC1=O ZINC000120481334 415770849 /nfs/dbraw/zinc/77/08/49/415770849.db2.gz YHOMLDUENYYSGX-VIFPVBQESA-N 0 0 311.288 0.640 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000120511201 415771702 /nfs/dbraw/zinc/77/17/02/415771702.db2.gz PHCNPGNFEPUASV-GHMZBOCLSA-N 0 0 314.407 0.965 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120529975 415773669 /nfs/dbraw/zinc/77/36/69/415773669.db2.gz AERIWXNZKPODNG-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@H](CNC(=O)c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC000122936377 415835129 /nfs/dbraw/zinc/83/51/29/415835129.db2.gz CWZBNRZMZCBWFF-SECBINFHSA-N 0 0 318.299 0.946 10 0 DCAERN O=C(NC[C@@H](O)c1ccsc1)N[C@@H]1CCc2ncnn2C1 ZINC000120666553 415780169 /nfs/dbraw/zinc/78/01/69/415780169.db2.gz UVJQZLVIYNLBCP-GHMZBOCLSA-N 0 0 307.379 0.687 10 0 DCAERN COCCOCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122072851 415821457 /nfs/dbraw/zinc/82/14/57/415821457.db2.gz NBCMZVFLKMZGPW-ZDUSSCGKSA-N 0 0 308.382 0.567 10 0 DCAERN CC[C@@H]1CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000294001017 415867318 /nfs/dbraw/zinc/86/73/18/415867318.db2.gz MDTMSLRBJIBPQU-SECBINFHSA-N 0 0 302.334 0.257 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000126626562 415877201 /nfs/dbraw/zinc/87/72/01/415877201.db2.gz XAICPFNUEDDERT-MRVPVSSYSA-N 0 0 323.271 0.866 10 0 DCAERN O=S(=O)(C1CC1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000126756378 415879032 /nfs/dbraw/zinc/87/90/32/415879032.db2.gz ZLLUMBWUXMVWJU-PWSUYJOCSA-N 0 0 301.364 0.896 10 0 DCAERN Cc1ccc(-c2cc(NC(=O)Cc3[nH]c(O)nc3O)[nH]n2)s1 ZINC000128166894 415893981 /nfs/dbraw/zinc/89/39/81/415893981.db2.gz LYMBOIGSXTWAGU-QMMMGPOBSA-N 0 0 319.346 0.983 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCN(CC(F)F)CC2)CCC1=O ZINC000128808578 415901447 /nfs/dbraw/zinc/90/14/47/415901447.db2.gz BVNCGGGMBACLBP-JTQLQIEISA-N 0 0 304.341 0.200 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)CCN2C)n1 ZINC000344445043 415919410 /nfs/dbraw/zinc/91/94/10/415919410.db2.gz IPPBNOPBVJGZLY-NSHDSACASA-N 0 0 303.322 0.608 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000131059393 415926114 /nfs/dbraw/zinc/92/61/14/415926114.db2.gz YONVWYAGXWEJAR-GFCCVEGCSA-N 0 0 303.428 0.708 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000124683299 415852545 /nfs/dbraw/zinc/85/25/45/415852545.db2.gz QSTHYFPBJVJOOY-RKDXNWHRSA-N 0 0 323.315 0.428 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)c1cnn(CC)c1 ZINC000125252188 415862222 /nfs/dbraw/zinc/86/22/22/415862222.db2.gz SPKJQIYZSKACJL-NSHDSACASA-N 0 0 316.365 0.891 10 0 DCAERN O=C(Nc1cc(F)c(F)cc1F)C(=O)N1CCNC(=O)CC1 ZINC000133704642 415949565 /nfs/dbraw/zinc/94/95/65/415949565.db2.gz WXCNMHNFATZAAW-UHFFFAOYSA-N 0 0 315.251 0.391 10 0 DCAERN O=C(Nc1cccc2cnccc21)C(=O)N1CCNC(=O)CC1 ZINC000133749185 415951208 /nfs/dbraw/zinc/95/12/08/415951208.db2.gz FRHCCHYHLOMTDO-UHFFFAOYSA-N 0 0 312.329 0.522 10 0 DCAERN Cc1cc(CN2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)on1 ZINC000134369402 415955567 /nfs/dbraw/zinc/95/55/67/415955567.db2.gz HYXODGIXEOVZEA-OCCSQVGLSA-N 0 0 308.382 0.988 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151096932 415964546 /nfs/dbraw/zinc/96/45/46/415964546.db2.gz MVRTTZFYZRDXIV-IJLUTSLNSA-N 0 0 300.424 0.965 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CCS1(=O)=O ZINC000152111523 415966090 /nfs/dbraw/zinc/96/60/90/415966090.db2.gz PSNJCZKRWARAKN-NOZJJQNGSA-N 0 0 313.350 0.775 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875951 415971517 /nfs/dbraw/zinc/97/15/17/415971517.db2.gz HLTJEUXIUNWNBL-GFCCVEGCSA-N 0 0 305.382 0.044 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000152917402 415972987 /nfs/dbraw/zinc/97/29/87/415972987.db2.gz OQAJEDLHANVPQM-QWRGUYRKSA-N 0 0 306.366 0.231 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000153248075 415977951 /nfs/dbraw/zinc/97/79/51/415977951.db2.gz YOEFCCVRDCWHSB-UHFFFAOYSA-N 0 0 313.335 0.550 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCCOc2cccc(C)c2)C1 ZINC000344738809 415980239 /nfs/dbraw/zinc/98/02/39/415980239.db2.gz PBJIWSNOQVFJBF-HOCLYGCPSA-N 0 0 322.405 0.572 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)[C@H]1CCCO1 ZINC000153403482 415981253 /nfs/dbraw/zinc/98/12/53/415981253.db2.gz RPCAOONHMNCSKH-WCBMZHEXSA-N 0 0 316.308 0.770 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000153511498 415982556 /nfs/dbraw/zinc/98/25/56/415982556.db2.gz FQNPJZITNJHGDF-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000158578218 415999514 /nfs/dbraw/zinc/99/95/14/415999514.db2.gz OBGDJIXFMIRUAO-ZDUSSCGKSA-N 0 0 321.425 0.762 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCOCCO)[C@@H]1c1ccc(F)cc1 ZINC000132254086 415933237 /nfs/dbraw/zinc/93/32/37/415933237.db2.gz XLGPUODBYCRPQE-ZFWWWQNUSA-N 0 0 324.352 0.470 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCN1CC(F)F ZINC000132875260 415935070 /nfs/dbraw/zinc/93/50/70/415935070.db2.gz HAXYRITUZHKAKV-JTQLQIEISA-N 0 0 322.381 0.770 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)CCO1 ZINC000357431826 416079558 /nfs/dbraw/zinc/07/95/58/416079558.db2.gz CKUOTVLPTOUAJT-OCCSQVGLSA-N 0 0 306.362 0.679 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@H]1CC ZINC000172297078 416045320 /nfs/dbraw/zinc/04/53/20/416045320.db2.gz CCCYFVHJBCJOAD-ZIAGYGMSSA-N 0 0 309.414 0.798 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000172371108 416045998 /nfs/dbraw/zinc/04/59/98/416045998.db2.gz JMOMEIWNADCORS-LLVKDONJSA-N 0 0 304.412 0.328 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000299135545 416055798 /nfs/dbraw/zinc/05/57/98/416055798.db2.gz WUSVJXNIQRKKQQ-BREBYQMCSA-N 0 0 309.395 0.237 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000173289812 416056215 /nfs/dbraw/zinc/05/62/15/416056215.db2.gz JNVLJAQVJNNTFO-LLVKDONJSA-N 0 0 306.370 0.066 10 0 DCAERN C[C@H]1C[C@H](NC(=O)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000173339377 416056937 /nfs/dbraw/zinc/05/69/37/416056937.db2.gz ZASFDAAHNFURQQ-AAEUAGOBSA-N 0 0 303.362 0.775 10 0 DCAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)[nH]1 ZINC000173383480 416057398 /nfs/dbraw/zinc/05/73/98/416057398.db2.gz XYCMHTBKUZFSBS-GXSJLCMTSA-N 0 0 317.353 0.304 10 0 DCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cnn(C)c3)C2)cn1 ZINC000173421951 416058200 /nfs/dbraw/zinc/05/82/00/416058200.db2.gz SXDLLCUPCLIHIE-LLVKDONJSA-N 0 0 324.410 0.101 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)[nH]1 ZINC000173539187 416060424 /nfs/dbraw/zinc/06/04/24/416060424.db2.gz XHORQWBUDOKQGT-LBPRGKRZSA-N 0 0 323.397 0.708 10 0 DCAERN COc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000173767944 416063556 /nfs/dbraw/zinc/06/35/56/416063556.db2.gz VNWPMXZCUZLICO-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN O=C(NCCc1ccccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173781470 416065538 /nfs/dbraw/zinc/06/55/38/416065538.db2.gz PPTLDMSLZQIRSD-OAHLLOKOSA-N 0 0 304.394 0.740 10 0 DCAERN O=c1cc(CN2CC[C@@H](N3CCOCC3)C2)nc2sccn21 ZINC000173994221 416069874 /nfs/dbraw/zinc/06/98/74/416069874.db2.gz IAJDHLGNJJDFQU-CYBMUJFWSA-N 0 0 320.418 0.663 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008889 416071392 /nfs/dbraw/zinc/07/13/92/416071392.db2.gz FBJVKEAKHSDAJL-AWEZNQCLSA-N 0 0 321.352 0.697 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000357390253 416072255 /nfs/dbraw/zinc/07/22/55/416072255.db2.gz JFXJRPOAIFDVCN-MNOVXSKESA-N 0 0 320.315 0.860 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000174272348 416076206 /nfs/dbraw/zinc/07/62/06/416076206.db2.gz KGDZADJKMCYGJI-UHFFFAOYSA-N 0 0 303.370 0.926 10 0 DCAERN C[C@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@@H]1C ZINC000301194119 416077498 /nfs/dbraw/zinc/07/74/98/416077498.db2.gz JHZMVIXDMBBPOU-UWVGGRQHSA-N 0 0 312.801 0.725 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158658592 416002402 /nfs/dbraw/zinc/00/24/02/416002402.db2.gz BMIRPUKWVMADRB-ZETCQYMHSA-N 0 0 318.299 0.786 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)[C@@H](C)CO ZINC000158821484 416003665 /nfs/dbraw/zinc/00/36/65/416003665.db2.gz AFEFFVAKKBAMLO-YUMQZZPRSA-N 0 0 307.393 0.830 10 0 DCAERN COC[C@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O ZINC000170715399 416030479 /nfs/dbraw/zinc/03/04/79/416030479.db2.gz MJRBZHIZLFOFGT-RISCZKNCSA-N 0 0 314.288 0.955 10 0 DCAERN C[C@@H]1CO[C@H](c2ccccc2)CN1CC(=O)N1CCNC(=O)C1 ZINC000170763405 416032281 /nfs/dbraw/zinc/03/22/81/416032281.db2.gz HTQUSZKKPFJVAB-HIFRSBDPSA-N 0 0 317.389 0.407 10 0 DCAERN COCCN(C)CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000171127128 416035412 /nfs/dbraw/zinc/03/54/12/416035412.db2.gz AOVGTJIGHAOYST-UHFFFAOYSA-N 0 0 317.389 0.696 10 0 DCAERN COc1ccccc1-c1noc(-c2cn(CC(N)=O)nn2)n1 ZINC000174812344 416087481 /nfs/dbraw/zinc/08/74/81/416087481.db2.gz CYBIRSWWEFLATR-UHFFFAOYSA-N 0 0 300.278 0.489 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174901172 416090210 /nfs/dbraw/zinc/09/02/10/416090210.db2.gz PMEQGSVICZUFJH-NEPJUHHUSA-N 0 0 301.412 0.075 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cn[nH]c3)C2=O)n(C)n1 ZINC000174997219 416091654 /nfs/dbraw/zinc/09/16/54/416091654.db2.gz CWNRBQGCBRMUCI-NSHDSACASA-N 0 0 302.338 0.377 10 0 DCAERN CO[C@@H](C)CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174992092 416092055 /nfs/dbraw/zinc/09/20/55/416092055.db2.gz OCWSQYDYXAYFOM-RYUDHWBXSA-N 0 0 308.382 0.765 10 0 DCAERN CCCOCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991769 416093071 /nfs/dbraw/zinc/09/30/71/416093071.db2.gz FFECRHOAUYPUFM-LBPRGKRZSA-N 0 0 308.382 0.767 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175037667 416093409 /nfs/dbraw/zinc/09/34/09/416093409.db2.gz FLIWRNYWLLUFLA-GXTWGEPZSA-N 0 0 310.394 0.699 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175037625 416094238 /nfs/dbraw/zinc/09/42/38/416094238.db2.gz FLIWRNYWLLUFLA-OCCSQVGLSA-N 0 0 310.394 0.699 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCCOC3)CCO2)[nH]1 ZINC000178089108 416155719 /nfs/dbraw/zinc/15/57/19/416155719.db2.gz XGRLKQZKYFFCKW-MNOVXSKESA-N 0 0 309.370 0.629 10 0 DCAERN Cc1ccccc1-c1nc(CN2CCN(CC(N)=O)CC2)no1 ZINC000178087014 416155792 /nfs/dbraw/zinc/15/57/92/416155792.db2.gz WIRZYNLONBTGMY-UHFFFAOYSA-N 0 0 315.377 0.648 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000357651275 416110802 /nfs/dbraw/zinc/11/08/02/416110802.db2.gz LAQRYMYTAUNSGT-VXGBXAGGSA-N 0 0 310.398 0.260 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)CCCF)CCO2)[nH]1 ZINC000175595775 416111213 /nfs/dbraw/zinc/11/12/13/416111213.db2.gz GFEFWBSFSMLLOE-VIFPVBQESA-N 0 0 306.363 0.430 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000175714983 416112265 /nfs/dbraw/zinc/11/22/65/416112265.db2.gz ZICIWYLMUKUQPN-CYBMUJFWSA-N 0 0 313.361 0.968 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@@]1(O)CCSC1 ZINC000176208681 416120031 /nfs/dbraw/zinc/12/00/31/416120031.db2.gz JDDGEFQCYYPCAD-AWEZNQCLSA-N 0 0 310.423 0.815 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC(=O)N2CCCCC2)[C@H](C)C1 ZINC000357738004 416123543 /nfs/dbraw/zinc/12/35/43/416123543.db2.gz BJQJKWACAPHANO-GFCCVEGCSA-N 0 0 310.398 0.261 10 0 DCAERN COCCCOC1CN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000176510236 416127706 /nfs/dbraw/zinc/12/77/06/416127706.db2.gz MIJXTKRHVYMILH-UHFFFAOYSA-N 0 0 320.393 0.954 10 0 DCAERN Cn1cccc1C(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000357763920 416129211 /nfs/dbraw/zinc/12/92/11/416129211.db2.gz PMOIHOQMIFWPBW-WFASDCNBSA-N 0 0 320.389 0.892 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000176618659 416129835 /nfs/dbraw/zinc/12/98/35/416129835.db2.gz GXTFZZVPKBMHBX-SECBINFHSA-N 0 0 315.395 0.765 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@@H](C)C1 ZINC000357943790 416156892 /nfs/dbraw/zinc/15/68/92/416156892.db2.gz VPLCWANUYSTFJO-JSGCOSHPSA-N 0 0 321.421 0.857 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC000345703912 416136037 /nfs/dbraw/zinc/13/60/37/416136037.db2.gz CCOVHMNFVJCALE-SNVBAGLBSA-N 0 0 317.436 0.749 10 0 DCAERN CCn1nc(C)c(NC(=O)CN(C)S(=O)(=O)CC)c1C ZINC000176922110 416138631 /nfs/dbraw/zinc/13/86/31/416138631.db2.gz WFUSKBAJWMNTJH-UHFFFAOYSA-N 0 0 302.400 0.740 10 0 DCAERN C[C@H](CN1CCN(CC2CCOCC2)CC1)CS(C)(=O)=O ZINC000176990822 416138885 /nfs/dbraw/zinc/13/88/85/416138885.db2.gz ANHFKWGLUWQCKM-CQSZACIVSA-N 0 0 318.483 0.711 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](CO)C2CCCC2)C1 ZINC000357860683 416142736 /nfs/dbraw/zinc/14/27/36/416142736.db2.gz IIVBTKBAAGWNHI-QWHCGFSZSA-N 0 0 312.414 0.641 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)NCc2ccnn2C)o1 ZINC000177339828 416144932 /nfs/dbraw/zinc/14/49/32/416144932.db2.gz KEJZYEVXETZIMF-UHFFFAOYSA-N 0 0 313.335 0.668 10 0 DCAERN CC(=O)N1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000357902442 416150158 /nfs/dbraw/zinc/15/01/58/416150158.db2.gz FFIKEHSGOXVYRN-LBPRGKRZSA-N 0 0 324.425 0.459 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)no1 ZINC000177727906 416150877 /nfs/dbraw/zinc/15/08/77/416150877.db2.gz MXTGHXSUFWRRFW-AAEUAGOBSA-N 0 0 301.302 0.696 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)C2CCCC2)[C@@H](C)C1 ZINC000357920762 416153060 /nfs/dbraw/zinc/15/30/60/416153060.db2.gz DKYTWCRLHHPEEA-NSHDSACASA-N 0 0 316.423 0.423 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000177937929 416154485 /nfs/dbraw/zinc/15/44/85/416154485.db2.gz IBIDZQCJNOMXBK-VUPYVKPUSA-N 0 0 301.416 0.806 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC000177958685 416155060 /nfs/dbraw/zinc/15/50/60/416155060.db2.gz MCRJYNHGJIXBDK-OLZOCXBDSA-N 0 0 307.398 0.981 10 0 DCAERN C[C@@H]1OCCN(C(=O)NCc2cccnc2-n2cncn2)[C@H]1C ZINC000178549436 416166345 /nfs/dbraw/zinc/16/63/45/416166345.db2.gz UURROSCFAUZJIP-RYUDHWBXSA-N 0 0 316.365 0.981 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178655021 416167985 /nfs/dbraw/zinc/16/79/85/416167985.db2.gz PNKPRMTVHGXLHD-GXTWGEPZSA-N 0 0 301.350 0.571 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000178799646 416171858 /nfs/dbraw/zinc/17/18/58/416171858.db2.gz DFHXJGQNJYQFOP-RYUDHWBXSA-N 0 0 305.444 0.859 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000178775201 416172880 /nfs/dbraw/zinc/17/28/80/416172880.db2.gz QCMVYKVUACPFTH-NEPJUHHUSA-N 0 0 321.381 0.312 10 0 DCAERN COC(=O)c1cn([C@H]2CCCN([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033296 416172975 /nfs/dbraw/zinc/17/29/75/416172975.db2.gz DJFBIMSOWPVLMJ-AAEUAGOBSA-N 0 0 322.365 0.653 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000178840169 416173680 /nfs/dbraw/zinc/17/36/80/416173680.db2.gz CUFNNGJITLYQPD-GFCCVEGCSA-N 0 0 321.312 0.652 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000178929754 416178061 /nfs/dbraw/zinc/17/80/61/416178061.db2.gz CPJRDJFOUVOTMS-GFCCVEGCSA-N 0 0 318.370 0.883 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000179562411 416190069 /nfs/dbraw/zinc/19/00/69/416190069.db2.gz VTJVYLJXEPKNOO-VHSXEESVSA-N 0 0 308.386 0.621 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cn(C)nc3CC)CCO2)[nH]1 ZINC000180323030 416195090 /nfs/dbraw/zinc/19/50/90/416195090.db2.gz KLUZDPZOPFOREX-LBPRGKRZSA-N 0 0 318.381 0.877 10 0 DCAERN CC(C)(CNc1nnc(C(F)F)o1)N1CCS(=O)CC1 ZINC000330345923 416200709 /nfs/dbraw/zinc/20/07/09/416200709.db2.gz FUIACBBPTXBEQQ-UHFFFAOYSA-N 0 0 308.354 1.262 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000180898233 416200847 /nfs/dbraw/zinc/20/08/47/416200847.db2.gz DPTHQKNZTDXSMH-RYUDHWBXSA-N 0 0 300.424 0.965 10 0 DCAERN CC(=O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1Cl ZINC000341022218 416201628 /nfs/dbraw/zinc/20/16/28/416201628.db2.gz AHPIZZOEVNNUBA-UHFFFAOYSA-N 0 0 319.770 0.953 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180974684 416202311 /nfs/dbraw/zinc/20/23/11/416202311.db2.gz RFWGCNKQQAVOLO-GFCCVEGCSA-N 0 0 301.416 0.575 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408453435 287324930 /nfs/dbraw/zinc/32/49/30/287324930.db2.gz RRMUCLDWNTZXMK-PGUXBMHVSA-N 0 0 309.366 0.392 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180974993 416203059 /nfs/dbraw/zinc/20/30/59/416203059.db2.gz RNECGQOQILWPHK-VXGBXAGGSA-N 0 0 302.400 0.355 10 0 DCAERN COc1cc(C)cc(CNC(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)c1 ZINC000358161998 416203589 /nfs/dbraw/zinc/20/35/89/416203589.db2.gz RAFJNPQDDAEXTJ-GXTWGEPZSA-N 0 0 320.389 0.849 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181370195 416206756 /nfs/dbraw/zinc/20/67/56/416206756.db2.gz TZQGLWLANHGOJC-JTQLQIEISA-N 0 0 312.337 0.539 10 0 DCAERN CN(CCCO)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000358203507 416210096 /nfs/dbraw/zinc/21/00/96/416210096.db2.gz DBBXFKWPMFOIHL-SNVBAGLBSA-N 0 0 313.320 0.273 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)N(C)C(C)C)CC2 ZINC000181729311 416212475 /nfs/dbraw/zinc/21/24/75/416212475.db2.gz OFQDCSRDCKKAND-LLVKDONJSA-N 0 0 315.443 0.891 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)Cn2ncn(C)c2=O)cc1 ZINC000182069747 416213461 /nfs/dbraw/zinc/21/34/61/416213461.db2.gz HGZYYYJVZSIEJE-ZDUSSCGKSA-N 0 0 302.378 0.980 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000181999245 416214369 /nfs/dbraw/zinc/21/43/69/416214369.db2.gz XMURQACQOBBFHM-CQSZACIVSA-N 0 0 323.780 0.818 10 0 DCAERN Cn1cnn(CC(=O)N[C@H]2CCO[C@H]2c2ccccc2)c1=O ZINC000182278255 416216725 /nfs/dbraw/zinc/21/67/25/416216725.db2.gz GMBQBLCSURYDPN-JSGCOSHPSA-N 0 0 302.334 0.228 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182380323 416221122 /nfs/dbraw/zinc/22/11/22/416221122.db2.gz UDJWESMPNDYOCI-MRVPVSSYSA-N 0 0 304.272 0.796 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)NC[C@H](CO)C2CC2)C1=O ZINC000358331656 416223752 /nfs/dbraw/zinc/22/37/52/416223752.db2.gz GWPKBQHWWIJDQF-LLVKDONJSA-N 0 0 311.382 0.232 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182551400 416225710 /nfs/dbraw/zinc/22/57/10/416225710.db2.gz HQERTVZOZYKESQ-AAEUAGOBSA-N 0 0 306.366 0.647 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182541607 416225997 /nfs/dbraw/zinc/22/59/97/416225997.db2.gz HQERTVZOZYKESQ-DGCLKSJQSA-N 0 0 306.366 0.647 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000182592204 416226449 /nfs/dbraw/zinc/22/64/49/416226449.db2.gz GEAWIGHIQQTIAR-GUTXKFCHSA-N 0 0 305.378 0.734 10 0 DCAERN CCc1cnccc1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000182564471 416226625 /nfs/dbraw/zinc/22/66/25/416226625.db2.gz CDIOPTHGJBWDPL-UHFFFAOYSA-N 0 0 313.361 0.867 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)NC[C@H](CO)C2CC2)C1=O ZINC000358348811 416226883 /nfs/dbraw/zinc/22/68/83/416226883.db2.gz JRBNCFDRSCCNCC-LLVKDONJSA-N 0 0 311.382 0.232 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848448 416232672 /nfs/dbraw/zinc/23/26/72/416232672.db2.gz BEOLSKATQNMKLO-QMMMGPOBSA-N 0 0 319.287 0.734 10 0 DCAERN COc1cc(C)c(C(=O)NCCN2CCNC(=O)C2)cc1OC ZINC000357969154 416160931 /nfs/dbraw/zinc/16/09/31/416160931.db2.gz QOSQTDZUCQPEIG-UHFFFAOYSA-N 0 0 321.377 0.174 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 ZINC000178518755 416164426 /nfs/dbraw/zinc/16/44/26/416164426.db2.gz UHYZQQLMKUUIHI-OLZOCXBDSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1nccn1CCNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000357977463 416166005 /nfs/dbraw/zinc/16/60/05/416166005.db2.gz CBKWGQSBWWYDEZ-ZIAGYGMSSA-N 0 0 304.394 0.956 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)Cc2noc(C)n2)cc1 ZINC000183338376 416240433 /nfs/dbraw/zinc/24/04/33/416240433.db2.gz SLVRRSQVSSCWHF-UHFFFAOYSA-N 0 0 318.333 0.775 10 0 DCAERN CCc1nn(C)c(OC)c1CNS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000190393480 416277809 /nfs/dbraw/zinc/27/78/09/416277809.db2.gz WPXZJAZAPKXGBV-BXKDBHETSA-N 0 0 317.411 0.588 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000183532297 416243530 /nfs/dbraw/zinc/24/35/30/416243530.db2.gz GEVFOKCNNVCQRM-OAHLLOKOSA-N 0 0 320.389 0.991 10 0 DCAERN Cc1cc(CN(C)C(=O)NCCS(=O)(=O)N(C)C)no1 ZINC000358493395 416244414 /nfs/dbraw/zinc/24/44/14/416244414.db2.gz DHRFVQRKASANAV-UHFFFAOYSA-N 0 0 304.372 0.016 10 0 DCAERN COC(=O)c1coc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000183745778 416251281 /nfs/dbraw/zinc/25/12/81/416251281.db2.gz DZZKFJSHDYHKFF-LBPRGKRZSA-N 0 0 322.361 0.861 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)Cc2noc(C)n2)co1 ZINC000358529481 416252193 /nfs/dbraw/zinc/25/21/93/416252193.db2.gz KGCPGIRCVPRQNI-UHFFFAOYSA-N 0 0 314.323 0.151 10 0 DCAERN CCc1nnc(CN2CCN(c3cc(OC)ncn3)CC2)[nH]1 ZINC000184691147 416252295 /nfs/dbraw/zinc/25/22/95/416252295.db2.gz NVALJQFWANDUFO-UHFFFAOYSA-N 0 0 303.370 0.488 10 0 DCAERN CCOCCONC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000185782845 416255008 /nfs/dbraw/zinc/25/50/08/416255008.db2.gz GXWJQTKPUAVYJL-LLVKDONJSA-N 0 0 311.386 0.984 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000185790533 416255078 /nfs/dbraw/zinc/25/50/78/416255078.db2.gz OWZUYDQTVOGZEB-NSHDSACASA-N 0 0 307.325 0.573 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1=O ZINC000187026548 416258687 /nfs/dbraw/zinc/25/86/87/416258687.db2.gz ZDJGAODEPDLKNB-GFCCVEGCSA-N 0 0 320.397 0.623 10 0 DCAERN Cc1c[nH]cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1=O ZINC000358595933 416258774 /nfs/dbraw/zinc/25/87/74/416258774.db2.gz WPVOGRWZDYXRRF-CYBMUJFWSA-N 0 0 319.361 0.193 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1nc(-c2ccoc2)no1 ZINC000189565038 416268557 /nfs/dbraw/zinc/26/85/57/416268557.db2.gz DFXCGVRBHLTARK-ZYHUDNBSSA-N 0 0 307.306 0.828 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1=O ZINC000189779058 416272213 /nfs/dbraw/zinc/27/22/13/416272213.db2.gz HLMPZTMAUFCORV-LLVKDONJSA-N 0 0 321.343 0.951 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000190136078 416276618 /nfs/dbraw/zinc/27/66/18/416276618.db2.gz ZAEDCWLUERJTHD-LLVKDONJSA-N 0 0 321.377 0.706 10 0 DCAERN COc1n[nH]c(NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC000182993972 416235644 /nfs/dbraw/zinc/23/56/44/416235644.db2.gz FIYPTKROCWCDNE-UHFFFAOYSA-N 0 0 303.322 0.501 10 0 DCAERN CCOc1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000359069679 416305914 /nfs/dbraw/zinc/30/59/14/416305914.db2.gz PKWXVVVJYJCEMI-QMMMGPOBSA-N 0 0 314.285 0.682 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CCOC[C@@H]3C)CCO2)[nH]1 ZINC000192611939 416308373 /nfs/dbraw/zinc/30/83/73/416308373.db2.gz MGAHKQOOQWBEJR-SRVKXCTJSA-N 0 0 308.382 0.940 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193277341 416314971 /nfs/dbraw/zinc/31/49/71/416314971.db2.gz YWGPSDFWGREUQM-BTKVJGODSA-N 0 0 307.375 0.990 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC000193925224 416320653 /nfs/dbraw/zinc/32/06/53/416320653.db2.gz GEQGYRYHIZXOKM-MNOVXSKESA-N 0 0 304.350 0.441 10 0 DCAERN CC(C)CC[C@@](C)(O)CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193951205 416321259 /nfs/dbraw/zinc/32/12/59/416321259.db2.gz ZJARIEDJTXXCSQ-WCQYABFASA-N 0 0 308.444 0.570 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)nc1C ZINC000194023273 416321371 /nfs/dbraw/zinc/32/13/71/416321371.db2.gz IJEXFQBIPDMDHQ-GHMZBOCLSA-N 0 0 306.410 0.929 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1cccc(N(C)C)c1C)OC ZINC000358835813 416280946 /nfs/dbraw/zinc/28/09/46/416280946.db2.gz DXLKODGJPIAKFS-GFCCVEGCSA-N 0 0 323.393 0.777 10 0 DCAERN C[C@H](O)CN(CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)CO ZINC000190829341 416282901 /nfs/dbraw/zinc/28/29/01/416282901.db2.gz BSMQHOFSNKNBFF-UWVGGRQHSA-N 0 0 302.321 0.967 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000190819521 416283682 /nfs/dbraw/zinc/28/36/82/416283682.db2.gz DXEPZLBPXMQWTJ-WCQYABFASA-N 0 0 318.439 0.589 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H](CO)CC(F)(F)F ZINC000331199322 416285853 /nfs/dbraw/zinc/28/58/53/416285853.db2.gz UGSYGNPWRQKTAU-YFKPBYRVSA-N 0 0 321.708 0.665 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000358890961 416289274 /nfs/dbraw/zinc/28/92/74/416289274.db2.gz XLJPSXZYMXEVCW-UHFFFAOYSA-N 0 0 316.317 0.608 10 0 DCAERN Cc1[nH]nc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1C ZINC000265231956 416341203 /nfs/dbraw/zinc/34/12/03/416341203.db2.gz OOIHZVSUJISRFB-JTQLQIEISA-N 0 0 300.384 0.180 10 0 DCAERN Cc1[nH]nc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1C ZINC000265231960 416341394 /nfs/dbraw/zinc/34/13/94/416341394.db2.gz OOIHZVSUJISRFB-SNVBAGLBSA-N 0 0 300.384 0.180 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1cn2ccccc2n1 ZINC000359478131 416347473 /nfs/dbraw/zinc/34/74/73/416347473.db2.gz XDLLIJZUJNFXLA-UHFFFAOYSA-N 0 0 300.326 0.199 10 0 DCAERN CCN1C[C@H](C(=O)NCc2ccnc(-n3ccnc3)c2)CC1=O ZINC000194653930 416324308 /nfs/dbraw/zinc/32/43/08/416324308.db2.gz XGKRREDCXBKPKX-CYBMUJFWSA-N 0 0 313.361 0.752 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000198201437 416326865 /nfs/dbraw/zinc/32/68/65/416326865.db2.gz SUELSTPBUCPXSS-CYBMUJFWSA-N 0 0 312.458 0.433 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NC[C@@H](CO)C1CC1 ZINC000359817046 416360483 /nfs/dbraw/zinc/36/04/83/416360483.db2.gz CTAPAUZMRCUPII-LBPRGKRZSA-N 0 0 306.362 0.560 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000360336243 416386285 /nfs/dbraw/zinc/38/62/85/416386285.db2.gz ONRXTEZSZWWDFV-GFCCVEGCSA-N 0 0 319.409 0.946 10 0 DCAERN CN1CCC[C@@H](NC(=O)NCC(=O)Nc2ccccc2)C1=O ZINC000360414205 416389039 /nfs/dbraw/zinc/38/90/39/416389039.db2.gz OTEJZRCGKWWMDS-GFCCVEGCSA-N 0 0 304.350 0.545 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360541496 416395580 /nfs/dbraw/zinc/39/55/80/416395580.db2.gz GEZMHXOEMYWMBW-WFASDCNBSA-N 0 0 306.362 0.817 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360700671 416404917 /nfs/dbraw/zinc/40/49/17/416404917.db2.gz MUOPYCLYYJZVLT-LLVKDONJSA-N 0 0 323.378 0.135 10 0 DCAERN CC1CCN(C(=O)CN2CCC[C@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617899 416477521 /nfs/dbraw/zinc/47/75/21/416477521.db2.gz HDACNJFLVCLIQT-OAHLLOKOSA-N 0 0 307.398 0.347 10 0 DCAERN CC1CCN(C(=O)CN2CCC[C@@](O)(c3cn[nH]n3)C2)CC1 ZINC000583617898 416478142 /nfs/dbraw/zinc/47/81/42/416478142.db2.gz HDACNJFLVCLIQT-HNNXBMFYSA-N 0 0 307.398 0.347 10 0 DCAERN C[C@H](O)C[C@H](C)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361703278 416478502 /nfs/dbraw/zinc/47/85/02/416478502.db2.gz QOLRZTGAXKJIOI-STQMWFEESA-N 0 0 322.409 0.877 10 0 DCAERN CC(C)(C)CCNC(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618035 416478571 /nfs/dbraw/zinc/47/85/71/416478571.db2.gz WLXHISBOFDFCSC-OAHLLOKOSA-N 0 0 309.414 0.641 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3ccccn32)[C@@H]1OC ZINC000361229444 416427078 /nfs/dbraw/zinc/42/70/78/416427078.db2.gz ANJMNNQFRYHTDT-GYSYKLTISA-N 0 0 319.365 0.721 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434678096 416489949 /nfs/dbraw/zinc/48/99/49/416489949.db2.gz CAADEQLGRSYJTO-UHFFFAOYSA-N 0 0 322.365 0.649 10 0 DCAERN CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458244327 416448056 /nfs/dbraw/zinc/44/80/56/416448056.db2.gz CVXSAHLNXDWOIK-LSDHHAIUSA-N 0 0 317.393 0.960 10 0 DCAERN CC1(C)C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000582187691 416448340 /nfs/dbraw/zinc/44/83/40/416448340.db2.gz KHHSLWUKMNCQGF-LBPRGKRZSA-N 0 0 309.410 0.367 10 0 DCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)NCCF)c1OC ZINC000435643118 416530105 /nfs/dbraw/zinc/53/01/05/416530105.db2.gz AVWRGBZFAKNXOK-UHFFFAOYSA-N 0 0 321.326 0.738 10 0 DCAERN CSc1ncc(Cl)c(C(=O)NC[C@@H](C)S(N)(=O)=O)n1 ZINC000535784994 416530306 /nfs/dbraw/zinc/53/03/06/416530306.db2.gz PNIYASCUTZXPAD-RXMQYKEDSA-N 0 0 324.815 0.259 10 0 DCAERN Cn1ccc(CNC(=O)c2cncc(N3CCOCC3)c2)n1 ZINC000536563980 416543618 /nfs/dbraw/zinc/54/36/18/416543618.db2.gz SGQOJXNJWJRBLX-UHFFFAOYSA-N 0 0 301.350 0.582 10 0 DCAERN COC[C@@H](O)CN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459508286 416547418 /nfs/dbraw/zinc/54/74/18/416547418.db2.gz IXYKBBVFXSQFJO-NSHDSACASA-N 0 0 314.407 0.664 10 0 DCAERN CC[NH+]1CCC(NC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000436283878 416551702 /nfs/dbraw/zinc/55/17/02/416551702.db2.gz LXEXVHDRBDVYBE-MRXNPFEDSA-N 0 0 307.394 0.200 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCn1cccn1 ZINC000361772058 416493284 /nfs/dbraw/zinc/49/32/84/416493284.db2.gz MDULBBZFMDNUBE-UHFFFAOYSA-N 0 0 304.354 0.495 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](NC(N)=O)C2)[C@@H]2CCCO[C@@H]21 ZINC000534260417 416495195 /nfs/dbraw/zinc/49/51/95/416495195.db2.gz SAZMAXIQBQNAJK-YFKTTZPYSA-N 0 0 310.398 0.642 10 0 DCAERN CNC(=O)[C@@H](Nc1nccc(N[C@@H]2CCCOC2)n1)C(C)C ZINC000435352181 416519698 /nfs/dbraw/zinc/51/96/98/416519698.db2.gz ASSDGAKRAOVEPX-YPMHNXCESA-N 0 0 307.398 1.250 10 0 DCAERN CCOc1ccc(OCC(=O)NCCn2cnccc2=O)cc1 ZINC000585237965 416519717 /nfs/dbraw/zinc/51/97/17/416519717.db2.gz AXLMYROXHMVIBT-UHFFFAOYSA-N 0 0 317.345 0.837 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)n1 ZINC000364771185 416594584 /nfs/dbraw/zinc/59/45/84/416594584.db2.gz MWXQGFTXFGJZDI-NWDGAFQWSA-N 0 0 324.381 0.666 10 0 DCAERN CC(C)CN1C[C@@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000541755077 416611531 /nfs/dbraw/zinc/61/15/31/416611531.db2.gz IDIVQIOXJFVZDX-UONOGXRCSA-N 0 0 309.410 0.034 10 0 DCAERN O=C(c1cnc2c(c1)NC(=O)CO2)N1CCSC[C@@H]1CCO ZINC000538898236 416575392 /nfs/dbraw/zinc/57/53/92/416575392.db2.gz CBCYDXGIOFFCKC-JTQLQIEISA-N 0 0 323.374 0.353 10 0 DCAERN Cn1nc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1OC(F)F ZINC000364310592 416584651 /nfs/dbraw/zinc/58/46/51/416584651.db2.gz XCLJQUIZEREQAR-VIFPVBQESA-N 0 0 316.308 0.178 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@](C)(O)C(F)(F)F)n1 ZINC000547848056 416683316 /nfs/dbraw/zinc/68/33/16/416683316.db2.gz UXSFKVIJGMZXIU-JTQLQIEISA-N 0 0 309.292 1.468 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000439715435 416621490 /nfs/dbraw/zinc/62/14/90/416621490.db2.gz DZFJQSHQRIZRNY-QWHCGFSZSA-N 0 0 312.410 0.633 10 0 DCAERN C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439862932 416623140 /nfs/dbraw/zinc/62/31/40/416623140.db2.gz WITSVVMKSPIDHQ-GHMZBOCLSA-N 0 0 319.361 0.637 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCC[C@@H]1CN1CCOCC1 ZINC000542503630 416625316 /nfs/dbraw/zinc/62/53/16/416625316.db2.gz JKZCXOINQRLFMX-CYBMUJFWSA-N 0 0 315.377 0.666 10 0 DCAERN COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000440097555 416627634 /nfs/dbraw/zinc/62/76/34/416627634.db2.gz FUCNQAGCFVLXMS-GFCCVEGCSA-N 0 0 323.393 0.513 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)c2cn3cccnc3n2)n1 ZINC000547985736 416683554 /nfs/dbraw/zinc/68/35/54/416683554.db2.gz KCUJJIDUXLDYDT-JTQLQIEISA-N 0 0 300.322 1.386 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC(=O)N1C ZINC000367114073 416640104 /nfs/dbraw/zinc/64/01/04/416640104.db2.gz PTNGWZFYUJFCBS-HLTSFMKQSA-N 0 0 321.299 0.133 10 0 DCAERN CC(=O)N(C)CC(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000440846930 416651389 /nfs/dbraw/zinc/65/13/89/416651389.db2.gz MZYNQENPOJGYCA-UHFFFAOYSA-N 0 0 319.340 0.560 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(CCO)C2)cc1C ZINC000442021978 416684206 /nfs/dbraw/zinc/68/42/06/416684206.db2.gz BHYRFRZPOVQVMG-UHFFFAOYSA-N 0 0 304.346 0.977 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](C)C1 ZINC000544670295 416658600 /nfs/dbraw/zinc/65/86/00/416658600.db2.gz YJYGAQAHWWPWJW-RYUDHWBXSA-N 0 0 304.412 0.989 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000545308845 416672616 /nfs/dbraw/zinc/67/26/16/416672616.db2.gz OSVUAJPTIBGPTP-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000368600857 416672837 /nfs/dbraw/zinc/67/28/37/416672837.db2.gz IWOYZFZHKJSEOL-NSHDSACASA-N 0 0 305.382 0.699 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)N1CC(n2ccnn2)C1 ZINC000368602122 416673459 /nfs/dbraw/zinc/67/34/59/416673459.db2.gz HUOOMXUVUQBMBS-UHFFFAOYSA-N 0 0 310.317 0.072 10 0 DCAERN COc1cccc(CCNC(=O)NCCN2C(=O)CCC2=O)n1 ZINC000441459675 416673914 /nfs/dbraw/zinc/67/39/14/416673914.db2.gz WFTOHSXDDDTEOJ-UHFFFAOYSA-N 0 0 320.349 0.081 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000368705672 416685733 /nfs/dbraw/zinc/68/57/33/416685733.db2.gz DGZCXKNYFALWGP-NSHDSACASA-N 0 0 317.436 0.465 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c1 ZINC000442256421 416688898 /nfs/dbraw/zinc/68/88/98/416688898.db2.gz RSRWZHZTXHJCGR-NSHDSACASA-N 0 0 309.297 0.120 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)C1 ZINC000368794790 416693594 /nfs/dbraw/zinc/69/35/94/416693594.db2.gz KVZMDMYIGVJAOW-GXTWGEPZSA-N 0 0 321.421 0.620 10 0 DCAERN COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000442539601 416696403 /nfs/dbraw/zinc/69/64/03/416696403.db2.gz PTLOORLWVLUIFR-LLVKDONJSA-N 0 0 324.381 0.254 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000442921522 416720219 /nfs/dbraw/zinc/72/02/19/416720219.db2.gz RMGBAKBAPXZWBX-ZWNOBZJWSA-N 0 0 304.412 0.436 10 0 DCAERN Cc1cnn(-c2ccncc2NC(=O)CN2CCOCC2=O)c1 ZINC000369094518 416724658 /nfs/dbraw/zinc/72/46/58/416724658.db2.gz JUDUMNJQPDAWBV-UHFFFAOYSA-N 0 0 315.333 0.373 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000557350139 416732220 /nfs/dbraw/zinc/73/22/20/416732220.db2.gz OPYZSBDAALEHMJ-LBPRGKRZSA-N 0 0 302.334 0.910 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)on1 ZINC000557946844 416754892 /nfs/dbraw/zinc/75/48/92/416754892.db2.gz OTIWNKQGLDJKAW-QWHCGFSZSA-N 0 0 324.381 0.461 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1Cc1cnc(-c2cnn(C)c2)nc1 ZINC000369391218 416769553 /nfs/dbraw/zinc/76/95/53/416769553.db2.gz KENKDFBTIGUAMV-CQSZACIVSA-N 0 0 314.393 0.930 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCOC[C@@H]2c2noc(C)n2)n1 ZINC000369442745 416775403 /nfs/dbraw/zinc/77/54/03/416775403.db2.gz ZENIUUQNHLOIJO-GFCCVEGCSA-N 0 0 305.338 0.791 10 0 DCAERN COC(=O)[C@](C)(O)CN1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054094 416776869 /nfs/dbraw/zinc/77/68/69/416776869.db2.gz SFUSVWOPPNEWRQ-XHDPSFHLSA-N 0 0 324.381 0.160 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)COc3cnn(C)c3)CCO2)cn1 ZINC000558640391 416782399 /nfs/dbraw/zinc/78/23/99/416782399.db2.gz LREVYSGCSORCMN-AWEZNQCLSA-N 0 0 319.365 0.615 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000558719064 416792060 /nfs/dbraw/zinc/79/20/60/416792060.db2.gz SPJNLTKIBUCQRL-XJKSGUPXSA-N 0 0 308.378 0.451 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N(C)CC[C@H](C)O)c1 ZINC000444027806 416796685 /nfs/dbraw/zinc/79/66/85/416796685.db2.gz UMKXOOPGECNPFU-JTQLQIEISA-N 0 0 315.395 0.829 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)C(=O)NCC(F)F ZINC000444289699 416830614 /nfs/dbraw/zinc/83/06/14/416830614.db2.gz NUNBQQNGIRWUAZ-VIFPVBQESA-N 0 0 314.288 0.714 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)CCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444551065 416847160 /nfs/dbraw/zinc/84/71/60/416847160.db2.gz QMWURVRDSQVDPX-BMIGLBTASA-N 0 0 315.366 0.803 10 0 DCAERN COC(=O)CC1(CC(=O)Nc2cc(C(N)=O)[nH]n2)CCCC1 ZINC000615769878 416903774 /nfs/dbraw/zinc/90/37/74/416903774.db2.gz IBQDPQDDHZOLMN-UHFFFAOYSA-N 0 0 308.338 0.961 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000446071091 416910933 /nfs/dbraw/zinc/91/09/33/416910933.db2.gz OJLNCAJVHJZTBD-AVGNSLFASA-N 0 0 311.426 0.611 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446071093 416911344 /nfs/dbraw/zinc/91/13/44/416911344.db2.gz OJLNCAJVHJZTBD-XQQFMLRXSA-N 0 0 311.426 0.611 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)C2CS(=O)(=O)C2)c2ccccc21 ZINC000632133722 416920505 /nfs/dbraw/zinc/92/05/05/416920505.db2.gz HPODTBJNIJIFHW-ZDUSSCGKSA-N 0 0 322.386 0.645 10 0 DCAERN Cn1cc([C@H](NC(=O)N[C@H]2CNC(=O)C2)C(F)(F)F)cn1 ZINC000446473849 416929653 /nfs/dbraw/zinc/92/96/53/416929653.db2.gz OSOJJSUFKQREGI-APPZFPTMSA-N 0 0 305.260 0.211 10 0 DCAERN Cn1cc([C@H](NC(=O)NCCOCCO)C(F)(F)F)cn1 ZINC000446467767 416930590 /nfs/dbraw/zinc/93/05/90/416930590.db2.gz YHTGFQJAEPANSV-VIFPVBQESA-N 0 0 310.276 0.332 10 0 DCAERN CCn1nccc1NC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000446805137 416948161 /nfs/dbraw/zinc/94/81/61/416948161.db2.gz AJESFKNWCHYJMM-VIFPVBQESA-N 0 0 304.354 0.620 10 0 DCAERN COCCn1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000373173610 416949934 /nfs/dbraw/zinc/94/99/34/416949934.db2.gz PJVGVPHNVAYWSI-UHFFFAOYSA-N 0 0 306.366 1.013 10 0 DCAERN COc1nc(NC[C@@H]2[C@H]3COC[C@H]32)ncc1Br ZINC000376185398 417023054 /nfs/dbraw/zinc/02/30/54/417023054.db2.gz BNSYLJOSAGHDJM-WHUPJOBBSA-N 0 0 300.156 1.552 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C[C@@](C)(O)C2CC2)C1=O ZINC000520476453 416967617 /nfs/dbraw/zinc/96/76/17/416967617.db2.gz HJVJPGTXRZXIJC-MLGOLLRUSA-N 0 0 320.393 0.583 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000447254908 416978950 /nfs/dbraw/zinc/97/89/50/416978950.db2.gz DIIMGLVWYFTETA-UHFFFAOYSA-N 0 0 323.324 0.497 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCC(=O)NC(C)C)c1 ZINC000447256317 416979239 /nfs/dbraw/zinc/97/92/39/416979239.db2.gz MWPIPOZULZLTAN-UHFFFAOYSA-N 0 0 311.313 0.414 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2cccc(C(N)=O)n2)no1 ZINC000565460522 416982004 /nfs/dbraw/zinc/98/20/04/416982004.db2.gz PHCLMJQZLRITOM-UHFFFAOYSA-N 0 0 303.322 0.791 10 0 DCAERN Cn1cc([C@H](NC(=O)C(=O)NCC2CC2)C(F)(F)F)cn1 ZINC000447268672 416984764 /nfs/dbraw/zinc/98/47/64/416984764.db2.gz WOQLBSGFEIDVJB-VIFPVBQESA-N 0 0 304.272 0.666 10 0 DCAERN Cc1cc(C(=O)NCC(=O)NC2CCCCC2)ncc1C(N)=O ZINC000448823298 417102846 /nfs/dbraw/zinc/10/28/46/417102846.db2.gz MRALGYJBCXHRRP-UHFFFAOYSA-N 0 0 318.377 0.668 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nc2cccnc2[nH]1 ZINC000448250036 417066257 /nfs/dbraw/zinc/06/62/57/417066257.db2.gz ZJRSIMGHPZLQQI-HNNXBMFYSA-N 0 0 313.317 0.509 10 0 DCAERN NC(=O)COc1cccc(NC(=O)C(=O)NCCCC2CC2)c1 ZINC000523065003 417073583 /nfs/dbraw/zinc/07/35/83/417073583.db2.gz RHHYVAYEQYYSGD-UHFFFAOYSA-N 0 0 319.361 0.796 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616620628 417083214 /nfs/dbraw/zinc/08/32/14/417083214.db2.gz RDNFCFJOQZQCEK-GFCCVEGCSA-N 0 0 303.405 0.884 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2CNCCN2S(C)(=O)=O)c1 ZINC000616603975 417084273 /nfs/dbraw/zinc/08/42/73/417084273.db2.gz JFKLYWIDCHPOQV-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@@H]1S(C)(=O)=O ZINC000616598360 417084650 /nfs/dbraw/zinc/08/46/50/417084650.db2.gz XKRMADQXEWOZTB-NSHDSACASA-N 0 0 322.427 0.604 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1ccccc1CCO ZINC000616647804 417087499 /nfs/dbraw/zinc/08/74/99/417087499.db2.gz MYIINSBEWHSYDR-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CC(=O)N[C@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616662527 417089355 /nfs/dbraw/zinc/08/93/55/417089355.db2.gz CELWQVLLMFRWTO-GFCCVEGCSA-N 0 0 301.387 0.348 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3ncccc32)C1 ZINC000616661988 417089382 /nfs/dbraw/zinc/08/93/82/417089382.db2.gz CPJYNCWMIJYLJC-NSHDSACASA-N 0 0 307.375 0.854 10 0 DCAERN CCn1ccnc(NCc2nn(C)cc2Br)c1=O ZINC000393353256 417103663 /nfs/dbraw/zinc/10/36/63/417103663.db2.gz BKXKFQDEUHVMCV-UHFFFAOYSA-N 0 0 312.171 1.371 10 0 DCAERN CN1CCO[C@H](C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000568346514 417124068 /nfs/dbraw/zinc/12/40/68/417124068.db2.gz LYIIBOQXDANDSW-AWEZNQCLSA-N 0 0 301.346 0.808 10 0 DCAERN CCOC(=O)C1(O)CCN([C@H](C)c2nnnn2C2CC2)CC1 ZINC000616758917 417104159 /nfs/dbraw/zinc/10/41/59/417104159.db2.gz NFULWERABXQGNO-SNVBAGLBSA-N 0 0 309.370 0.459 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000408016468 417131420 /nfs/dbraw/zinc/13/14/20/417131420.db2.gz KODLXONVTCAQST-AAEUAGOBSA-N 0 0 303.428 0.466 10 0 DCAERN CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000407998511 417132447 /nfs/dbraw/zinc/13/24/47/417132447.db2.gz SCZNHUBWQUFJMB-SECBINFHSA-N 0 0 319.427 0.105 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)N(C)C1 ZINC000408035268 417132575 /nfs/dbraw/zinc/13/25/75/417132575.db2.gz KNWIFGYRHHFGNR-AVGNSLFASA-N 0 0 321.425 0.552 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(S(=O)(=O)CC(C)(C)C)C1 ZINC000408026355 417133638 /nfs/dbraw/zinc/13/36/38/417133638.db2.gz GWEUECAVSCBADV-MNOVXSKESA-N 0 0 316.427 0.953 10 0 DCAERN CC(C)N1C(=O)N[C@@H]2CN(C(=O)C3(C(=O)N(C)C)CC3)CC[C@@H]21 ZINC000408065716 417135665 /nfs/dbraw/zinc/13/56/65/417135665.db2.gz PYICEPTTZZFLBM-NEPJUHHUSA-N 0 0 322.409 0.258 10 0 DCAERN CO[C@]1(C)CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408059184 417136476 /nfs/dbraw/zinc/13/64/76/417136476.db2.gz PQQVROYXHNVUKC-CVEARBPZSA-N 0 0 312.410 0.777 10 0 DCAERN CC(C)NC(=O)CCN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000408426016 417162166 /nfs/dbraw/zinc/16/21/66/417162166.db2.gz QORHCLJJXMGBLK-QWHCGFSZSA-N 0 0 302.440 0.943 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000408132088 417144344 /nfs/dbraw/zinc/14/43/44/417144344.db2.gz JGOMYVYBSNKTGP-KGLIPLIRSA-N 0 0 319.471 0.472 10 0 DCAERN C[C@H]1COC(C)(C)CN1C(=O)Cn1cnc2c1ncnc2N ZINC000408362688 417157140 /nfs/dbraw/zinc/15/71/40/417157140.db2.gz QJRQMOHEWOTUGB-VIFPVBQESA-N 0 0 304.354 0.434 10 0 DCAERN C[C@@H]1CC[S@@](=O)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408397793 417158819 /nfs/dbraw/zinc/15/88/19/417158819.db2.gz ZIKQFGZTPTZJJK-CFMSYZGJSA-N 0 0 301.412 0.160 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCCn1ncnn1)CC2 ZINC000526021539 417174214 /nfs/dbraw/zinc/17/42/14/417174214.db2.gz VBVUITGMSJMPRD-SNVBAGLBSA-N 0 0 303.370 0.441 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)c2cccc3ncnn32)CCC1 ZINC000526023532 417174322 /nfs/dbraw/zinc/17/43/22/417174322.db2.gz OLAVNYPGKAEZLS-UHFFFAOYSA-N 0 0 308.363 0.426 10 0 DCAERN Cc1nn(C)cc1CC(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000449816891 417175727 /nfs/dbraw/zinc/17/57/27/417175727.db2.gz BLIZHTCMPQGDRC-CQSZACIVSA-N 0 0 321.352 0.966 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@@H](Cn2ccnn2)C1)C1CCCC1 ZINC000617265911 417193015 /nfs/dbraw/zinc/19/30/15/417193015.db2.gz IKMLIGDUJRODEX-UKRRQHHQSA-N 0 0 319.409 0.822 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)[C@H]1CCNC(=O)C1 ZINC000568903879 417194327 /nfs/dbraw/zinc/19/43/27/417194327.db2.gz ZIXZOCPMGPHNGL-RYUDHWBXSA-N 0 0 304.346 0.859 10 0 DCAERN CCc1nncn1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000569237955 417229924 /nfs/dbraw/zinc/22/99/24/417229924.db2.gz RXTWKFXWUYRABQ-GFCCVEGCSA-N 0 0 317.397 0.951 10 0 DCAERN C[C@H](O)CCN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000450234851 417209915 /nfs/dbraw/zinc/20/99/15/417209915.db2.gz VHPQWEUFBUOWIL-BBRMVZONSA-N 0 0 320.389 0.884 10 0 DCAERN Cn1cnc(CCNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000527223958 417224296 /nfs/dbraw/zinc/22/42/96/417224296.db2.gz VRPMWXNERJJHGM-HNNXBMFYSA-N 0 0 323.397 0.337 10 0 DCAERN C[C@@H](O)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000450739804 417265023 /nfs/dbraw/zinc/26/50/23/417265023.db2.gz RTHMGWDEZAKCFS-GFCCVEGCSA-N 0 0 315.391 0.857 10 0 DCAERN COC[C@]1(CO)CCN(c2nc(C(C)C)nc(N(C)C)n2)C1 ZINC000450891690 417279480 /nfs/dbraw/zinc/27/94/80/417279480.db2.gz BCPDGUNQFZKDAW-OAHLLOKOSA-N 0 0 309.414 0.896 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000373503961 287369274 /nfs/dbraw/zinc/36/92/74/287369274.db2.gz HIVDCAMORHBSPQ-RISCZKNCSA-N 0 0 323.418 0.800 10 0 DCAERN COc1ccc(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)cn1 ZINC000569462735 417257531 /nfs/dbraw/zinc/25/75/31/417257531.db2.gz FZSNCCKBBXVQOA-SNVBAGLBSA-N 0 0 302.338 0.692 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145856 417306177 /nfs/dbraw/zinc/30/61/77/417306177.db2.gz ZNQFHKIGBSTRQP-LLVKDONJSA-N 0 0 323.349 0.433 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CC1CC(F)(F)C1 ZINC000451244428 417322259 /nfs/dbraw/zinc/32/22/59/417322259.db2.gz MXXBQJWLCIJNPK-DTWKUNHWSA-N 0 0 320.336 0.994 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)C[C@@H](C)COCC)C1 ZINC000451308495 417332632 /nfs/dbraw/zinc/33/26/32/417332632.db2.gz CLMILYVGIRFKCN-RYUDHWBXSA-N 0 0 321.443 0.382 10 0 DCAERN CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000451960996 417423747 /nfs/dbraw/zinc/42/37/47/417423747.db2.gz VOCGOOBQJPTQBF-SECBINFHSA-N 0 0 314.363 0.276 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000627688054 417487929 /nfs/dbraw/zinc/48/79/29/417487929.db2.gz MEFFBNBHUMEVKS-STQMWFEESA-N 0 0 323.437 0.958 10 0 DCAERN Cc1nc(N)nc(C)c1C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000622475147 417451701 /nfs/dbraw/zinc/45/17/01/417451701.db2.gz QKUGRTNSBBZBBB-LBPRGKRZSA-N 0 0 316.361 0.715 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC[C@H](C)F ZINC000627535311 417452383 /nfs/dbraw/zinc/45/23/83/417452383.db2.gz JWKZQIVCSNGFTL-VIFPVBQESA-N 0 0 303.378 0.660 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(C(C)=O)[nH]2)CC12COC2 ZINC000452220559 417460692 /nfs/dbraw/zinc/46/06/92/417460692.db2.gz KRSZNUIMBKAPRU-LLVKDONJSA-N 0 0 320.345 0.869 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cn(C)nc2CC)CC12COC2 ZINC000452256734 417461644 /nfs/dbraw/zinc/46/16/44/417461644.db2.gz HGKDRNOMYFONSX-GFCCVEGCSA-N 0 0 321.377 0.634 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000633625802 417468519 /nfs/dbraw/zinc/46/85/19/417468519.db2.gz ITPJSBVKHPQMBF-ZMLRMANQSA-N 0 0 302.396 0.079 10 0 DCAERN CNc1nc(C)cc(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1 ZINC000644121784 417477277 /nfs/dbraw/zinc/47/72/77/417477277.db2.gz ZYHRQQBEPYPVOE-PWSUYJOCSA-N 0 0 316.365 1.152 10 0 DCAERN CC1(c2cc(NC(=O)NCCn3ncnn3)no2)CCCC1 ZINC000574133792 417478002 /nfs/dbraw/zinc/47/80/02/417478002.db2.gz KVDYORRDHDRZJE-UHFFFAOYSA-N 0 0 305.342 1.315 10 0 DCAERN Cn1nc2c(c1NC(=O)CN1CCCC[C@@H](O)C1=O)CCC2 ZINC000644344222 417543028 /nfs/dbraw/zinc/54/30/28/417543028.db2.gz RLXLNZHZIGORHZ-GFCCVEGCSA-N 0 0 306.366 0.221 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C[C@H]2C)c(C)o1 ZINC000633870120 417500283 /nfs/dbraw/zinc/50/02/83/417500283.db2.gz KSYJVEZBOUKERN-PSASIEDQSA-N 0 0 316.379 0.482 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 ZINC000633877193 417504874 /nfs/dbraw/zinc/50/48/74/417504874.db2.gz VIWVSXCDOVAZGU-HUUCEWRRSA-N 0 0 303.318 0.342 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000529780017 417508100 /nfs/dbraw/zinc/50/81/00/417508100.db2.gz JBAZLPVJONENOP-SUHUHFCYSA-N 0 0 320.345 0.104 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000628131083 417578113 /nfs/dbraw/zinc/57/81/13/417578113.db2.gz QZGDHBKWTSDFRZ-RYUDHWBXSA-N 0 0 309.410 0.664 10 0 DCAERN C[C@@]1(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC(=O)N1 ZINC000455643564 417615322 /nfs/dbraw/zinc/61/53/22/417615322.db2.gz YZHGSWHGUMCUQR-RYUDHWBXSA-N 0 0 323.315 0.754 10 0 DCAERN CCOC(=O)COCCNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000455349245 417601552 /nfs/dbraw/zinc/60/15/52/417601552.db2.gz UADROLKWPZCYLU-UHFFFAOYSA-N 0 0 320.349 0.942 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cc(C)nn2C2CCOCC2)C1 ZINC000530357912 417572300 /nfs/dbraw/zinc/57/23/00/417572300.db2.gz DCSFFWBKPDFPHZ-UHFFFAOYSA-N 0 0 306.366 0.960 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000530358860 417573092 /nfs/dbraw/zinc/57/30/92/417573092.db2.gz QZWJMMVYYIZMPP-STQMWFEESA-N 0 0 307.398 0.804 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@](C)(COC)C2)C1 ZINC000454673676 417574782 /nfs/dbraw/zinc/57/47/82/417574782.db2.gz JSPTUTSPYKSMAS-SWLSCSKDSA-N 0 0 312.414 0.858 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ncccc3C)CC2)[nH]1 ZINC000531409846 417621017 /nfs/dbraw/zinc/62/10/17/417621017.db2.gz XIYWVOMWENYWLI-UHFFFAOYSA-N 0 0 300.366 0.775 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)C2CC2)c1 ZINC000440203423 287394547 /nfs/dbraw/zinc/39/45/47/287394547.db2.gz WADYYNWIHXVJJX-AWEZNQCLSA-N 0 0 312.391 0.486 10 0 DCAERN Cn1cnc(CCNC(=O)NC[C@H](CO)c2ccccc2)n1 ZINC000531526994 417625754 /nfs/dbraw/zinc/62/57/54/417625754.db2.gz DYITUVGTWZWPQY-CYBMUJFWSA-N 0 0 303.366 0.433 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000635250175 417622352 /nfs/dbraw/zinc/62/23/52/417622352.db2.gz OZDHKSBMCZXIDP-MWLCHTKSSA-N 0 0 306.366 0.608 10 0 DCAERN c1snnc1CNC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000628476955 417622857 /nfs/dbraw/zinc/62/28/57/417622857.db2.gz YVCJYMLOINTESK-AWEZNQCLSA-N 0 0 305.407 0.924 10 0 DCAERN CC(=O)N(CCC(=O)N[C@H]1C[C@H](C(N)=O)C1)Cc1ccccc1 ZINC000628779212 417692050 /nfs/dbraw/zinc/69/20/50/417692050.db2.gz CZGCRCXXRNKEDB-SHTZXODSSA-N 0 0 317.389 0.805 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)[C@H](C)C1 ZINC000532168455 417665040 /nfs/dbraw/zinc/66/50/40/417665040.db2.gz RZMDAAYOVZQQOL-SNPRPXQTSA-N 0 0 300.399 0.096 10 0 DCAERN CCn1nnc(C)c1C(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 ZINC000628859804 417705736 /nfs/dbraw/zinc/70/57/36/417705736.db2.gz XQAATFDQHMYLLQ-LDYMZIIASA-N 0 0 320.353 0.900 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)COCCOC)(C(=O)OC)C1(C)C ZINC000440868466 287410670 /nfs/dbraw/zinc/41/06/70/287410670.db2.gz UOJWKFBHLRJSGH-ABAIWWIYSA-N 0 0 317.382 0.512 10 0 DCAERN Cc1cccc(OCCCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458121075 417722856 /nfs/dbraw/zinc/72/28/56/417722856.db2.gz FSSSUIPNRSPNBW-AWEZNQCLSA-N 0 0 318.377 0.923 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1ccc(OCC2CC2)cc1 ZINC000458134928 417723099 /nfs/dbraw/zinc/72/30/99/417723099.db2.gz JVOSBPWZRMRHAS-CQSZACIVSA-N 0 0 316.361 0.858 10 0 DCAERN CCN(CC)c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458123029 417724177 /nfs/dbraw/zinc/72/41/77/417724177.db2.gz IJVRIXPWNSUVSG-OAHLLOKOSA-N 0 0 317.393 0.915 10 0 DCAERN C[C@@H](CCOc1ccccc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458151260 417724869 /nfs/dbraw/zinc/72/48/69/417724869.db2.gz WLBCKLMQBFLVBC-KBPBESRZSA-N 0 0 318.377 0.860 10 0 DCAERN Cc1cccc(CCNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458149551 417725168 /nfs/dbraw/zinc/72/51/68/417725168.db2.gz XVJJJLKMYSNFKJ-AWEZNQCLSA-N 0 0 303.366 0.489 10 0 DCAERN CCOC(=O)c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458154706 417725792 /nfs/dbraw/zinc/72/57/92/417725792.db2.gz ZKWXFZXDCNOALK-ZDUSSCGKSA-N 0 0 318.333 0.246 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)C2CCCCC2)C[C@H]1c1cn[nH]n1 ZINC000657145048 417824162 /nfs/dbraw/zinc/82/41/62/417824162.db2.gz ZNFMXHJJHQYYOP-WCQYABFASA-N 0 0 314.411 0.881 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)NC[C@H](CO)c1ccccc1 ZINC000444560371 287427842 /nfs/dbraw/zinc/42/78/42/287427842.db2.gz DGOXUZZKLYGQFG-CYBMUJFWSA-N 0 0 319.361 0.211 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](O)CCSC)CC12COC2 ZINC000452617683 287482804 /nfs/dbraw/zinc/48/28/04/287482804.db2.gz UWBFHPOGJFRGFT-WDEREUQCSA-N 0 0 317.407 0.139 10 0 DCAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000189095170 545919418 /nfs/dbraw/zinc/91/94/18/545919418.db2.gz QSRGUXZLHNCWRA-SYQHCUMBSA-N 0 0 312.410 0.630 10 0 DCAERN O=C(c1ccnnc1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000478899758 287524006 /nfs/dbraw/zinc/52/40/06/287524006.db2.gz KGQBINRYFKFYET-AWEZNQCLSA-N 0 0 306.366 0.040 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(OC)CCC1 ZINC000488313516 287549179 /nfs/dbraw/zinc/54/91/79/287549179.db2.gz NIDMYZNVQYXRSQ-ZJUUUORDSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CC)SC ZINC000488142674 287546445 /nfs/dbraw/zinc/54/64/45/287546445.db2.gz CNIKVIXPYNGDTQ-UTLUCORTSA-N 0 0 304.412 0.701 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H](CO)C1 ZINC000298709076 228712440 /nfs/dbraw/zinc/71/24/40/228712440.db2.gz GHNPBZOAPNGWMT-KGLIPLIRSA-N 0 0 319.409 0.859 10 0 DCAERN Cc1noc(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC000299422884 229108432 /nfs/dbraw/zinc/10/84/32/229108432.db2.gz FBFHJDQHDZRRHB-PHIMTYICSA-N 0 0 320.349 0.212 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)N1CCN(C2CC2)CC1 ZINC000299348965 229066428 /nfs/dbraw/zinc/06/64/28/229066428.db2.gz MGNABZXVODZWDR-UHFFFAOYSA-N 0 0 306.366 0.385 10 0 DCAERN COCCC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CC1 ZINC000299744779 229384826 /nfs/dbraw/zinc/38/48/26/229384826.db2.gz PVMQLVKEOMBCHQ-RKDXNWHRSA-N 0 0 308.300 0.925 10 0 DCAERN CCNS(=O)(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000179261568 261111540 /nfs/dbraw/zinc/11/15/40/261111540.db2.gz XRQJCMLYSJFCSB-SNVBAGLBSA-N 0 0 310.379 0.229 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCC(=O)NCC1CC1 ZINC000183496179 261116338 /nfs/dbraw/zinc/11/63/38/261116338.db2.gz NJARQQLVJAOSCF-GFCCVEGCSA-N 0 0 312.414 0.507 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC(C(=O)NC)C2)cc1F ZINC000184911950 261119355 /nfs/dbraw/zinc/11/93/55/261119355.db2.gz PCXMIODHTJWQIM-UHFFFAOYSA-N 0 0 307.325 0.531 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000187203733 261123091 /nfs/dbraw/zinc/12/30/91/261123091.db2.gz NQIDRTYZISXDAP-DTWKUNHWSA-N 0 0 311.304 0.562 10 0 DCAERN Cc1ccc(CC(=O)NCC2CN(S(C)(=O)=O)C2)s1 ZINC000187297179 261123667 /nfs/dbraw/zinc/12/36/67/261123667.db2.gz IUVJKERNTKDDRO-UHFFFAOYSA-N 0 0 302.421 0.607 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000188648596 261129774 /nfs/dbraw/zinc/12/97/74/261129774.db2.gz MPVVSQJFOLFJKY-BDAKNGLRSA-N 0 0 315.333 0.092 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)CCc2ccccc2O)C1 ZINC000189508694 261131821 /nfs/dbraw/zinc/13/18/21/261131821.db2.gz YKEYZBXPWJMUSV-UHFFFAOYSA-N 0 0 312.391 0.332 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000190145272 261133626 /nfs/dbraw/zinc/13/36/26/261133626.db2.gz JJUAUMVRUNEISE-SMDDNHRTSA-N 0 0 324.425 0.761 10 0 DCAERN C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H](CO)O1 ZINC000190832005 261135219 /nfs/dbraw/zinc/13/52/19/261135219.db2.gz CGJUKACXOBJTIB-VHSXEESVSA-N 0 0 303.318 0.145 10 0 DCAERN CNC(=O)Cn1ccc2ccc(NC(=O)N3CC(CO)C3)cc21 ZINC000192221536 261138404 /nfs/dbraw/zinc/13/84/04/261138404.db2.gz FNWCYTWRIWRPJW-UHFFFAOYSA-N 0 0 316.361 0.843 10 0 DCAERN CCN(CCCNC(=O)[C@@H]1CCOC[C@@H]1C)S(C)(=O)=O ZINC000194110462 261144749 /nfs/dbraw/zinc/14/47/49/261144749.db2.gz LUXPZUVJIYIHEG-NWDGAFQWSA-N 0 0 306.428 0.447 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CNC(=O)C1 ZINC000194826543 261148338 /nfs/dbraw/zinc/14/83/38/261148338.db2.gz NFDTXNJCLNOOKB-CYBMUJFWSA-N 0 0 303.362 0.287 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000194831735 261148444 /nfs/dbraw/zinc/14/84/44/261148444.db2.gz NFHPRKWILLOZST-SRVKXCTJSA-N 0 0 304.412 0.151 10 0 DCAERN O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194859710 261148859 /nfs/dbraw/zinc/14/88/59/261148859.db2.gz QDVSCNZDZLAJFW-OAHLLOKOSA-N 0 0 317.389 0.271 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1O ZINC000221839856 261151908 /nfs/dbraw/zinc/15/19/08/261151908.db2.gz GFDQEOIMTVJJLC-MFKMUULPSA-N 0 0 312.391 0.901 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000234570029 261154897 /nfs/dbraw/zinc/15/48/97/261154897.db2.gz IIHFENALDYENLC-STQMWFEESA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000234559544 261155168 /nfs/dbraw/zinc/15/51/68/261155168.db2.gz IIHFENALDYENLC-OLZOCXBDSA-N 0 0 318.439 0.684 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000355321231 261331579 /nfs/dbraw/zinc/33/15/79/261331579.db2.gz VGHFDUISJFFWDF-NSHDSACASA-N 0 0 321.343 0.807 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000355714376 261359154 /nfs/dbraw/zinc/35/91/54/261359154.db2.gz CVTDZDHWIDKUQK-WUHRBBMRSA-N 0 0 310.394 0.554 10 0 DCAERN O=C([C@H](O)Cc1ccccc1Cl)N1CC(n2ccnn2)C1 ZINC000357757893 261581728 /nfs/dbraw/zinc/58/17/28/261581728.db2.gz YCALWHUWDVREQG-CYBMUJFWSA-N 0 0 306.753 0.918 10 0 DCAERN Cn1cccc1C(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000357763914 261582478 /nfs/dbraw/zinc/58/24/78/261582478.db2.gz PMOIHOQMIFWPBW-IUODEOHRSA-N 0 0 320.389 0.892 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)c1 ZINC000358063565 261624156 /nfs/dbraw/zinc/62/41/56/261624156.db2.gz NRZZDARNVGXLHI-WCQYABFASA-N 0 0 305.378 0.490 10 0 DCAERN O=C(NCCNC(=O)c1ccc(F)cc1)NC[C@@H](CO)C1CC1 ZINC000358534448 261680531 /nfs/dbraw/zinc/68/05/31/261680531.db2.gz JBGMKIXVLULKTM-ZDUSSCGKSA-N 0 0 323.368 0.873 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](CO)C1CC1)CC2 ZINC000358817905 261703078 /nfs/dbraw/zinc/70/30/78/261703078.db2.gz GNUFTNQNLDBLNE-NWDGAFQWSA-N 0 0 323.397 0.057 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(F)(F)[C@H](CO)C2)C1 ZINC000360285921 261820665 /nfs/dbraw/zinc/82/06/65/261820665.db2.gz VKCNCRUQKCXBRV-MNOVXSKESA-N 0 0 312.382 0.913 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](OC)C2)c1 ZINC000361675289 261948679 /nfs/dbraw/zinc/94/86/79/261948679.db2.gz LDOPMRHWOWBKEZ-NSHDSACASA-N 0 0 313.379 0.847 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nnc2ccccn21 ZINC000362558555 262046588 /nfs/dbraw/zinc/04/65/88/262046588.db2.gz ICSDVJCGJXOSRG-HNNXBMFYSA-N 0 0 313.317 0.281 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC000362634592 262054147 /nfs/dbraw/zinc/05/41/47/262054147.db2.gz GLWULVNHDOQRTC-NSHDSACASA-N 0 0 306.366 0.932 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)c2cc(C(N)=O)c[nH]2)c1 ZINC000362929971 262088344 /nfs/dbraw/zinc/08/83/44/262088344.db2.gz ILZCEBQNAJLKNY-UHFFFAOYSA-N 0 0 322.346 0.274 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000363576354 262122262 /nfs/dbraw/zinc/12/22/62/262122262.db2.gz GOSOGDMEMKHWML-YXCITZCRSA-N 0 0 307.394 0.370 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000363796597 262131287 /nfs/dbraw/zinc/13/12/87/262131287.db2.gz RVAAUBWULNPEFK-OAHLLOKOSA-N 0 0 319.405 0.328 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363975401 262137969 /nfs/dbraw/zinc/13/79/69/262137969.db2.gz QDQYGBJOEAUOFJ-DGCLKSJQSA-N 0 0 307.398 0.516 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CCN2CCOC[C@H]2C1 ZINC000363986945 262138646 /nfs/dbraw/zinc/13/86/46/262138646.db2.gz OWQZMVZBJATBEJ-OAHLLOKOSA-N 0 0 305.378 0.405 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412103211 262182615 /nfs/dbraw/zinc/18/26/15/262182615.db2.gz YNZPENXUBJWFGW-IUODEOHRSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000412954109 262197416 /nfs/dbraw/zinc/19/74/16/262197416.db2.gz RUTIOVWMXXATBF-CQSZACIVSA-N 0 0 305.353 0.999 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000357054922 271040136 /nfs/dbraw/zinc/04/01/36/271040136.db2.gz QOFOFQKWZDTARY-ONGXEEELSA-N 0 0 318.345 0.863 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358876118 271077566 /nfs/dbraw/zinc/07/75/66/271077566.db2.gz APODAHIYIYBZKT-NSHDSACASA-N 0 0 304.412 0.129 10 0 DCAERN CCc1ncc(S(=O)(=O)NC[C@H](O)C(F)(F)F)s1 ZINC000359230289 271108321 /nfs/dbraw/zinc/10/83/21/271108321.db2.gz MZKLTDOPDVAXFH-YFKPBYRVSA-N 0 0 304.315 0.907 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)c1nncn1C ZINC000359487752 271119793 /nfs/dbraw/zinc/11/97/93/271119793.db2.gz XBYNZDIDHMQJRB-KCJUWKMLSA-N 0 0 321.303 0.975 10 0 DCAERN C[C@H](O)[C@H](C)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275300 271177496 /nfs/dbraw/zinc/17/74/96/271177496.db2.gz JVPIBMXRZBCTPV-IUCAKERBSA-N 0 0 315.347 0.538 10 0 DCAERN COC(=O)c1nc(N2CC[C@@H](S(N)(=O)=O)C2)sc1C ZINC000434101831 271514027 /nfs/dbraw/zinc/51/40/27/271514027.db2.gz LUNHIJHRMDAHFV-SSDOTTSWSA-N 0 0 305.381 0.105 10 0 DCAERN COC[C@H](NC(=O)N1CCSC[C@@H]1CCO)[C@@H]1CCCO1 ZINC000434853471 271545829 /nfs/dbraw/zinc/54/58/29/271545829.db2.gz ANWDPPFKFOEKMU-AVGNSLFASA-N 0 0 318.439 0.690 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC(OC(F)F)C2)c1 ZINC000437622316 271622407 /nfs/dbraw/zinc/62/24/07/271622407.db2.gz RMNZOADFLCSLLY-UHFFFAOYSA-N 0 0 320.317 0.658 10 0 DCAERN C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439862935 271645862 /nfs/dbraw/zinc/64/58/62/271645862.db2.gz WITSVVMKSPIDHQ-WDEREUQCSA-N 0 0 319.361 0.637 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(C)CC2(O)CCC2)cn1 ZINC000442427790 271669741 /nfs/dbraw/zinc/66/97/41/271669741.db2.gz CRKULVMGAGZLEF-UHFFFAOYSA-N 0 0 306.366 0.460 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@@H]3CCCN3C2=O)c1 ZINC000445943838 271751853 /nfs/dbraw/zinc/75/18/53/271751853.db2.gz YOICJCXRCIRYAA-NSHDSACASA-N 0 0 309.347 0.526 10 0 DCAERN Cn1cc([C@@H](NC(=O)N2CCS(=O)CC2)C(F)(F)F)cn1 ZINC000446454336 271760721 /nfs/dbraw/zinc/76/07/21/271760721.db2.gz BVDNMHMJHGDBHC-SECBINFHSA-N 0 0 324.328 0.797 10 0 DCAERN Cc1nn(C)c(CN(C)Cc2nnnn2C)c1Br ZINC000448337641 271820230 /nfs/dbraw/zinc/82/02/30/271820230.db2.gz RRRAVZTZEIDBOX-UHFFFAOYSA-N 0 0 314.191 0.647 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000451503701 271900691 /nfs/dbraw/zinc/90/06/91/271900691.db2.gz RDJIGAPOJBKJLB-QWHCGFSZSA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(F)cn2)CC12COC2 ZINC000452218631 271910812 /nfs/dbraw/zinc/91/08/12/271910812.db2.gz GSKNZKSJHYTNBA-NSHDSACASA-N 0 0 308.309 0.872 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)CC12COC2 ZINC000452256119 271912185 /nfs/dbraw/zinc/91/21/85/271912185.db2.gz HEENQZBEFPFTNG-OLZOCXBDSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(OC)no2)CC12COC2 ZINC000452267538 271912953 /nfs/dbraw/zinc/91/29/53/271912953.db2.gz VRANXCXYPOJWSW-VIFPVBQESA-N 0 0 310.306 0.335 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(C(C)C)C2CC2)C1 ZINC000459986009 272022380 /nfs/dbraw/zinc/02/23/80/272022380.db2.gz KGWJYOJCSRHTHB-GFCCVEGCSA-N 0 0 309.410 0.903 10 0 DCAERN CC[C@@H](NC(=O)N[C@@H](C)[C@@H](C)OC)C(=O)N1CCOCC1 ZINC000466489819 272027182 /nfs/dbraw/zinc/02/71/82/272027182.db2.gz UNYOYBYTUMACTH-QJPTWQEYSA-N 0 0 301.387 0.346 10 0 DCAERN CO[C@]1(C)CCCN(C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000471657651 272028483 /nfs/dbraw/zinc/02/84/83/272028483.db2.gz IPQFJJNCOMBVDO-LLVKDONJSA-N 0 0 311.304 0.875 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000471851347 272031865 /nfs/dbraw/zinc/03/18/65/272031865.db2.gz YIJOWRSAWNYYSJ-VXGBXAGGSA-N 0 0 319.427 0.277 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cncc(F)c1 ZINC000487111281 272037907 /nfs/dbraw/zinc/03/79/07/272037907.db2.gz CDHSJAHVHQXWLL-IUCAKERBSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cn(C)nc1CC ZINC000487117865 272038068 /nfs/dbraw/zinc/03/80/68/272038068.db2.gz TVJLONBXECSSEJ-UWVGGRQHSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccco1 ZINC000487375028 272040868 /nfs/dbraw/zinc/04/08/68/272040868.db2.gz YOTHPPYNZCEXQP-BDAKNGLRSA-N 0 0 318.351 0.014 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000491601960 272102464 /nfs/dbraw/zinc/10/24/64/272102464.db2.gz PQFHYDLICYXHKS-SECBINFHSA-N 0 0 304.354 0.620 10 0 DCAERN COc1ccc(/C=C\C(=O)NC[C@@H]2CN(C)CCO2)cc1O ZINC000492521921 272132705 /nfs/dbraw/zinc/13/27/05/272132705.db2.gz NPCSLWSZUQJEOL-RYWCDNDXSA-N 0 0 306.362 0.861 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)NCC2CCC2)CC1 ZINC000494395022 272220530 /nfs/dbraw/zinc/22/05/30/272220530.db2.gz HDJNYVTXABMAMR-UHFFFAOYSA-N 0 0 311.426 0.472 10 0 DCAERN NC(=O)CNC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000505232872 272390340 /nfs/dbraw/zinc/39/03/40/272390340.db2.gz YQOGZUWBJFPTCO-UHFFFAOYSA-N 0 0 303.318 0.054 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)[C@H]2C1 ZINC000516600812 272440176 /nfs/dbraw/zinc/44/01/76/272440176.db2.gz GYJXOIXGLFZBRE-AYMQEEERSA-N 0 0 321.421 0.666 10 0 DCAERN Cc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)cnn1 ZINC000527063572 272600362 /nfs/dbraw/zinc/60/03/62/272600362.db2.gz ZKEOMMZYUCYVRY-UHFFFAOYSA-N 0 0 313.361 0.947 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)c1cn3cccnc3n1)CCO2 ZINC000527186310 272605514 /nfs/dbraw/zinc/60/55/14/272605514.db2.gz DXNHKJMAMKRTGB-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c(C)s1 ZINC000528463786 272645433 /nfs/dbraw/zinc/64/54/33/272645433.db2.gz ANRVQRGAYBXTTB-QWRGUYRKSA-N 0 0 305.421 0.586 10 0 DCAERN CN(CCC(=O)N1CCc2sccc2C1)Cc1nnnn1C ZINC000532326464 272785189 /nfs/dbraw/zinc/78/51/89/272785189.db2.gz BWUIQXJMPXFKOR-UHFFFAOYSA-N 0 0 320.422 0.678 10 0 DCAERN COC(=O)c1cn(CC(=O)N2CCC[C@H]2C(=O)OC(C)C)nn1 ZINC000530622626 287750508 /nfs/dbraw/zinc/75/05/08/287750508.db2.gz PWQIZFMRCPZISZ-NSHDSACASA-N 0 0 324.337 0.007 10 0 DCAERN Cn1ncc2cc(C(=O)NCc3nnc4ccccn43)cnc21 ZINC000531338358 287774417 /nfs/dbraw/zinc/77/44/17/287774417.db2.gz KFFZQNJPKZWOCK-UHFFFAOYSA-N 0 0 307.317 0.941 10 0 DCAERN Cc1nc2c(cnn2C)c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000246579379 274847686 /nfs/dbraw/zinc/84/76/86/274847686.db2.gz UAGUJWOOQUILIU-FZMZJTMJSA-N 0 0 316.409 0.829 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079036754 275900026 /nfs/dbraw/zinc/90/00/26/275900026.db2.gz PRALJJLLOCGVQJ-NEPJUHHUSA-N 0 0 305.444 0.449 10 0 DCAERN CCOCCN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176603617 276318647 /nfs/dbraw/zinc/31/86/47/276318647.db2.gz KTFQECVJGRRYAR-CYBMUJFWSA-N 0 0 322.413 0.477 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN[C@H](c3ccncc3)C2)C1 ZINC000374380002 276979622 /nfs/dbraw/zinc/97/96/22/276979622.db2.gz YYVIEVOXPIZTET-HOTGVXAUSA-N 0 0 316.405 0.813 10 0 DCAERN Cc1nc([C@H]2CN(C(=O)NCC(=O)N3CCCC3)CCO2)no1 ZINC000541900436 287932123 /nfs/dbraw/zinc/93/21/23/287932123.db2.gz XOKWILFGHPYPKT-LLVKDONJSA-N 0 0 323.353 0.083 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408309207 277058316 /nfs/dbraw/zinc/05/83/16/277058316.db2.gz MPXAJZOJJFUIOP-DZGCQCFKSA-N 0 0 309.410 0.367 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000378040964 277132728 /nfs/dbraw/zinc/13/27/28/277132728.db2.gz MFIURNYDIYJZCX-XDQVBPFNSA-N 0 0 310.394 0.507 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1=O ZINC000284680284 277163256 /nfs/dbraw/zinc/16/32/56/277163256.db2.gz WPPRBBCAKUVUFQ-NXEZZACHSA-N 0 0 305.382 0.425 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N1CCOCC1 ZINC000046194670 277484662 /nfs/dbraw/zinc/48/46/62/277484662.db2.gz ZIMJNEBKEIKELP-ZIAGYGMSSA-N 0 0 311.426 0.328 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000184145834 278003191 /nfs/dbraw/zinc/00/31/91/278003191.db2.gz XCIFYVPYNJXQCM-QMMMGPOBSA-N 0 0 302.318 0.821 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1c1cccn1C ZINC000373329974 278023491 /nfs/dbraw/zinc/02/34/91/278023491.db2.gz AVMCUFUOCISWPO-GJZGRUSLSA-N 0 0 305.378 0.936 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cc(C)cnc2N)[C@@H](C)C1 ZINC000347189604 278042835 /nfs/dbraw/zinc/04/28/35/278042835.db2.gz HLMVXRFPENITJW-JTQLQIEISA-N 0 0 312.395 0.214 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 ZINC000408296232 278059281 /nfs/dbraw/zinc/05/92/81/278059281.db2.gz BRLZKQQMMARAMO-ZUZCIYMTSA-N 0 0 305.334 0.201 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000332746108 278068869 /nfs/dbraw/zinc/06/88/69/278068869.db2.gz IABYYGPWIONXAH-RYMFRWLXSA-N 0 0 308.378 0.042 10 0 DCAERN CC(=O)NC1(C(=O)N2CCN3CCOC[C@@H]3C2)CCCCC1 ZINC000374971420 278080123 /nfs/dbraw/zinc/08/01/23/278080123.db2.gz JCFGKEWKCRMMCO-AWEZNQCLSA-N 0 0 309.410 0.368 10 0 DCAERN CC(=O)NCC(=O)N(C)C[C@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000347450901 278092163 /nfs/dbraw/zinc/09/21/63/278092163.db2.gz PCXNPEFHZIZVMZ-WBVHZDCISA-N 0 0 319.405 0.653 10 0 DCAERN COc1nccc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000285229506 278093207 /nfs/dbraw/zinc/09/32/07/278093207.db2.gz PTHCBWMZZWHTEW-WDEREUQCSA-N 0 0 307.354 0.422 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@]2(CCOC2)O1 ZINC000408326530 288015554 /nfs/dbraw/zinc/01/55/54/288015554.db2.gz NEHIFGQCLMCHCP-BMIGLBTASA-N 0 0 307.350 0.144 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000408006744 278145217 /nfs/dbraw/zinc/14/52/17/278145217.db2.gz ACKQSIMWIQDTJY-DGCLKSJQSA-N 0 0 303.428 0.706 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)[C@@H]2COCCO2)C1 ZINC000408058857 278149129 /nfs/dbraw/zinc/14/91/29/278149129.db2.gz NGTAZWGFHZGYSB-OUAUKWLOSA-N 0 0 324.299 0.460 10 0 DCAERN CC(=O)O[C@@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000096029705 278221313 /nfs/dbraw/zinc/22/13/13/278221313.db2.gz QZKDRLZSJSWQPS-UHFZAUJKSA-N 0 0 302.323 0.946 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000546675628 288025479 /nfs/dbraw/zinc/02/54/79/288025479.db2.gz APKFJECAWDQAJM-LLVKDONJSA-N 0 0 308.386 0.103 10 0 DCAERN CC1(C)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000292782460 278452757 /nfs/dbraw/zinc/45/27/57/278452757.db2.gz MQRREOGOFIQVEO-SNVBAGLBSA-N 0 0 322.386 0.833 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000058221457 278689512 /nfs/dbraw/zinc/68/95/12/278689512.db2.gz PWUFSOOLDARLEV-LBPRGKRZSA-N 0 0 312.414 0.459 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cccc(N2CCOCC2)c1 ZINC000547732107 288073562 /nfs/dbraw/zinc/07/35/62/288073562.db2.gz JLPWMFNLDGIOKN-UHFFFAOYSA-N 0 0 319.361 0.321 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000547732223 288073569 /nfs/dbraw/zinc/07/35/69/288073569.db2.gz GNAWPJTXWCZTEL-UHFFFAOYSA-N 0 0 319.239 0.603 10 0 DCAERN C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1N1CCOCC1 ZINC000246553725 278817401 /nfs/dbraw/zinc/81/74/01/278817401.db2.gz RCKZZFAFWANNBL-DGCLKSJQSA-N 0 0 302.382 0.520 10 0 DCAERN CCc1nc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)no1 ZINC000547824105 288082801 /nfs/dbraw/zinc/08/28/01/288082801.db2.gz VGBTUXMMUICLHJ-GFCCVEGCSA-N 0 0 300.318 0.945 10 0 DCAERN CC(C)CNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189952846 278909458 /nfs/dbraw/zinc/90/94/58/278909458.db2.gz MOGCDKDRCFJYGE-LBPRGKRZSA-N 0 0 314.411 0.557 10 0 DCAERN Cc1nc(N(C)C)nc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1 ZINC000547958698 288095847 /nfs/dbraw/zinc/09/58/47/288095847.db2.gz JMEZVCOIHGBYKR-NSHDSACASA-N 0 0 306.414 0.939 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408457754 279012700 /nfs/dbraw/zinc/01/27/00/279012700.db2.gz CGVBOOJRPZIMOQ-RWMBFGLXSA-N 0 0 318.439 0.730 10 0 DCAERN Cc1nc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c(=O)[nH]c1C ZINC000161696358 279070588 /nfs/dbraw/zinc/07/05/88/279070588.db2.gz ZASAJPCXGNLHKV-UHFFFAOYSA-N 0 0 313.321 0.763 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000407989330 288105358 /nfs/dbraw/zinc/10/53/58/288105358.db2.gz JFOWGYDMTPCCEP-KGLIPLIRSA-N 0 0 311.426 0.160 10 0 DCAERN C[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)[C@H]1CCCOC1 ZINC000548064077 288108296 /nfs/dbraw/zinc/10/82/96/288108296.db2.gz QRDBIBMNYLIBCU-HEHGZKQESA-N 0 0 308.378 0.531 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408154600 288111300 /nfs/dbraw/zinc/11/13/00/288111300.db2.gz LDLSIKNWWBUWDB-ZDUSSCGKSA-N 0 0 307.460 0.208 10 0 DCAERN Cn1cc([C@@H]2CN(c3ccnc4c3cnn4C)C[C@H]2CO)cn1 ZINC000284403950 279347465 /nfs/dbraw/zinc/34/74/65/279347465.db2.gz BBIBANLSYNKSKM-JSGCOSHPSA-N 0 0 312.377 0.914 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1CC1CCS(=O)(=O)CC1 ZINC000548299792 288129883 /nfs/dbraw/zinc/12/98/83/288129883.db2.gz XTTXBLXAWZNVEI-ZDUSSCGKSA-N 0 0 302.440 0.754 10 0 DCAERN CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408263553 279449865 /nfs/dbraw/zinc/44/98/65/279449865.db2.gz WZBMOTQBSJTDLS-NWDGAFQWSA-N 0 0 321.443 0.211 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCOC2(CCC2)C1 ZINC000548392813 288139345 /nfs/dbraw/zinc/13/93/45/288139345.db2.gz DEQWJTFWXUOHHL-OAHLLOKOSA-N 0 0 306.362 0.381 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)NCC1(O)CCC1 ZINC000548517819 288149586 /nfs/dbraw/zinc/14/95/86/288149586.db2.gz HSPQJCPKYZNMHE-UHFFFAOYSA-N 0 0 320.393 0.632 10 0 DCAERN COc1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)nn1C ZINC000548449711 288144387 /nfs/dbraw/zinc/14/43/87/288144387.db2.gz OOJHDNXFFZYKCW-QMMMGPOBSA-N 0 0 306.288 0.795 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000548465503 288145964 /nfs/dbraw/zinc/14/59/64/288145964.db2.gz HWSOBACFSFVCEI-ZDUSSCGKSA-N 0 0 305.378 0.968 10 0 DCAERN C[C@@]1(C(=O)NCc2cccc(N3CCOCC3)n2)CCOC1 ZINC000548501652 288148771 /nfs/dbraw/zinc/14/87/71/288148771.db2.gz KSHWCEKJNZUWDA-MRXNPFEDSA-N 0 0 305.378 0.961 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000328968876 279793195 /nfs/dbraw/zinc/79/31/95/279793195.db2.gz UGLIDMLYHLQHKD-WKEGUHRASA-N 0 0 309.244 0.545 10 0 DCAERN C[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000157299742 279827353 /nfs/dbraw/zinc/82/73/53/279827353.db2.gz BQMJJPMQRCYTBQ-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000548720683 288170627 /nfs/dbraw/zinc/17/06/27/288170627.db2.gz ICGAPPOKGCUJAH-WOSRLPQWSA-N 0 0 308.378 0.219 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N[C@H]1CCCOC1 ZINC000171624768 280013611 /nfs/dbraw/zinc/01/36/11/280013611.db2.gz GNNUTVIYKIZQLT-LBPRGKRZSA-N 0 0 315.333 0.501 10 0 DCAERN COCCN1CN(CC(=O)Nc2ccc3c(c2)OCO3)CC1=O ZINC000549159830 288193890 /nfs/dbraw/zinc/19/38/90/288193890.db2.gz WMXMZGWLOLJYBQ-UHFFFAOYSA-N 0 0 321.333 0.102 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364400180 280097050 /nfs/dbraw/zinc/09/70/50/280097050.db2.gz NRPDVKCWYNCOJU-JRPNMDOOSA-N 0 0 309.366 0.248 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N[C@@H](CO)C1CCOCC1 ZINC000549062407 288191058 /nfs/dbraw/zinc/19/10/58/288191058.db2.gz GGZDYMUCUAPZEW-HIFRSBDPSA-N 0 0 322.409 0.884 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000549591159 288200899 /nfs/dbraw/zinc/20/08/99/288200899.db2.gz NGVQKGICHOHTMI-MWLCHTKSSA-N 0 0 306.370 0.250 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cnn(C)c2C)CC1 ZINC000182054240 280204970 /nfs/dbraw/zinc/20/49/70/280204970.db2.gz BRFGYTAKJCETHP-CQSZACIVSA-N 0 0 309.414 0.327 10 0 DCAERN CN1C(=O)CN(C(=O)c2cc(-c3cccnc3)on2)CC1=O ZINC000550158649 288212238 /nfs/dbraw/zinc/21/22/38/288212238.db2.gz ZVGZJVDCRWENMC-UHFFFAOYSA-N 0 0 300.274 0.177 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOC[C@@H]2CC2CCC2)CC1 ZINC000550503132 288216528 /nfs/dbraw/zinc/21/65/28/288216528.db2.gz XHDZGRJBZVHXCR-INIZCTEOSA-N 0 0 323.437 0.568 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)N2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000330068184 280365083 /nfs/dbraw/zinc/36/50/83/280365083.db2.gz VDMDOCZVHAELHW-IIAWOOMASA-N 0 0 312.410 0.504 10 0 DCAERN Cc1ncc(CS(=O)(=O)CC(=O)N2CCC[C@H](C)C2)cn1 ZINC000552030605 288260988 /nfs/dbraw/zinc/26/09/88/288260988.db2.gz OLPHTECFAXIKNC-NSHDSACASA-N 0 0 311.407 0.958 10 0 DCAERN CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552753695 288280267 /nfs/dbraw/zinc/28/02/67/288280267.db2.gz PELQIFROJRRMDI-NSHDSACASA-N 0 0 302.334 0.768 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)C1(O)Cc2ccccc2C1 ZINC000374706073 281387392 /nfs/dbraw/zinc/38/73/92/281387392.db2.gz TULLNMJMEGAGIY-CYBMUJFWSA-N 0 0 302.374 0.690 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000558719057 288458912 /nfs/dbraw/zinc/45/89/12/288458912.db2.gz SPJNLTKIBUCQRL-BBRMVZONSA-N 0 0 308.378 0.451 10 0 DCAERN C[S@@](=O)Cc1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC000561451168 288543960 /nfs/dbraw/zinc/54/39/60/288543960.db2.gz BEPPIUDOWVYOBK-JOCHJYFZSA-N 0 0 324.402 0.040 10 0 DCAERN Cc1cn2ccnc(C(=O)N3CCN4CCOC[C@@H]4C3)c2n1 ZINC000564622361 288753200 /nfs/dbraw/zinc/75/32/00/288753200.db2.gz RXIVBYMKIRLWNP-LBPRGKRZSA-N 0 0 301.350 0.194 10 0 DCAERN O=C(NC[C@@H]1COCCO1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000565613579 288867170 /nfs/dbraw/zinc/86/71/70/288867170.db2.gz XJVOQGBDZVIJDH-VXGBXAGGSA-N 0 0 322.365 0.861 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000408154797 288930980 /nfs/dbraw/zinc/93/09/80/288930980.db2.gz RBSHHUHCDGYYFZ-LBPRGKRZSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246185841 289350231 /nfs/dbraw/zinc/35/02/31/289350231.db2.gz UUJJRSXSCMWHDA-UTUOFQBUSA-N 0 0 323.359 0.706 10 0 DCAERN CN1C(=O)N[C@@H]2CN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC[C@@H]21 ZINC000333140729 289851743 /nfs/dbraw/zinc/85/17/43/289851743.db2.gz JIEANYUJEOWIRZ-FHUSYTEZSA-N 0 0 313.423 0.603 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921758 290077159 /nfs/dbraw/zinc/07/71/59/290077159.db2.gz GMYLUZYZOMDUMR-ZDUSSCGKSA-N 0 0 312.414 0.019 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397619 290115533 /nfs/dbraw/zinc/11/55/33/290115533.db2.gz YXCLKVLHZKBHED-IUCAKERBSA-N 0 0 304.334 0.265 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1=O ZINC000373986951 290304348 /nfs/dbraw/zinc/30/43/48/290304348.db2.gz VTCRCKNMDIACQD-AAVRWANBSA-N 0 0 309.410 0.942 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000378131215 296984841 /nfs/dbraw/zinc/98/48/41/296984841.db2.gz HHDDRCOKFIKFIX-POQQGIQPSA-N 0 0 311.426 0.502 10 0 DCAERN COC[C@]1(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCOC1 ZINC000333067392 293268003 /nfs/dbraw/zinc/26/80/03/293268003.db2.gz JIRZPZXMOLMZBE-IIAWOOMASA-N 0 0 312.410 0.361 10 0 DCAERN C[C@@H]1CN(C[C@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391194 297022585 /nfs/dbraw/zinc/02/25/85/297022585.db2.gz JAKLJJDGFMNKQX-HRDYMLBCSA-N 0 0 324.265 0.839 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCCO2)[C@@H](C)CO1 ZINC000408235635 297043457 /nfs/dbraw/zinc/04/34/57/297043457.db2.gz KUZPNDWMMKCJNU-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000172604769 294277960 /nfs/dbraw/zinc/27/79/60/294277960.db2.gz UILUBACXDWWMMB-OLZOCXBDSA-N 0 0 315.381 0.873 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2occc2Br)C1 ZINC000284818707 294603422 /nfs/dbraw/zinc/60/34/22/294603422.db2.gz LPNUTQSRQSOZCM-XPUUQOCRSA-N 0 0 317.139 0.757 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ncccc1Br ZINC000231764267 295121087 /nfs/dbraw/zinc/12/10/87/295121087.db2.gz DFQZAQXMVHRYLN-QMMMGPOBSA-N 0 0 314.139 0.170 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000286709695 295125110 /nfs/dbraw/zinc/12/51/10/295125110.db2.gz FZKRAAMEPIRWIJ-PWSUYJOCSA-N 0 0 305.309 0.609 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091780550 295317873 /nfs/dbraw/zinc/31/78/73/295317873.db2.gz WYIKAPFKASWMLH-MELADBBJSA-N 0 0 304.346 0.511 10 0 DCAERN COc1cccc([C@@H]2C[C@H](O)CN2CCNS(C)(=O)=O)c1 ZINC000282242607 295319851 /nfs/dbraw/zinc/31/98/51/295319851.db2.gz QBFXROGEZYMSKT-JSGCOSHPSA-N 0 0 314.407 0.352 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCSC[C@@H]2CCO)no1 ZINC000330538023 301279507 /nfs/dbraw/zinc/27/95/07/301279507.db2.gz WNKBJTWADLEBHL-NSHDSACASA-N 0 0 306.409 0.613 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@H](C)C[C@@H]3C(N)=O)c2n1 ZINC000188485699 302264272 /nfs/dbraw/zinc/26/42/72/302264272.db2.gz MPIMJHIRTXOVCR-JOYOIKCWSA-N 0 0 301.350 0.764 10 0 DCAERN Cn1ncc(Br)c1CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000225606220 303046336 /nfs/dbraw/zinc/04/63/36/303046336.db2.gz WIZCYEPSBGIURN-PSASIEDQSA-N 0 0 313.199 0.893 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ncsc1Br ZINC000287968327 303334300 /nfs/dbraw/zinc/33/43/00/303334300.db2.gz IMSPPLZEBHKKSJ-RXMQYKEDSA-N 0 0 320.168 0.232 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000285618617 303337897 /nfs/dbraw/zinc/33/78/97/303337897.db2.gz SDKCCSPDJXWIJM-XEZPLFJOSA-N 0 0 306.337 0.768 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)COc1cnn(C)c1)CC2 ZINC000570782224 332815189 /nfs/dbraw/zinc/81/51/89/332815189.db2.gz IFJLYXVSRGUYJJ-LLVKDONJSA-N 0 0 318.381 0.645 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCSC1 ZINC000332729858 332858694 /nfs/dbraw/zinc/85/86/94/332858694.db2.gz IVSZGTQUCFRMKU-VHSXEESVSA-N 0 0 307.441 0.202 10 0 DCAERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189025361 333061068 /nfs/dbraw/zinc/06/10/68/333061068.db2.gz URHRNMKYSPMLJB-QWRGUYRKSA-N 0 0 302.338 0.943 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000583569838 335734367 /nfs/dbraw/zinc/73/43/67/335734367.db2.gz PHFOVQZZGIACHF-JTQLQIEISA-N 0 0 307.316 0.465 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC(=O)N(C)c2ccccc21 ZINC000190224738 336261416 /nfs/dbraw/zinc/26/14/16/336261416.db2.gz DBRNOLYOTKEWOZ-GXFFZTMASA-N 0 0 310.375 0.977 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000190558227 336264077 /nfs/dbraw/zinc/26/40/77/336264077.db2.gz NNORVBKBFLOSQS-GHMZBOCLSA-N 0 0 304.350 0.866 10 0 DCAERN Cn1cnc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)n1 ZINC000583672498 336391332 /nfs/dbraw/zinc/39/13/32/336391332.db2.gz VHMPBSHOZMOJPN-UHFFFAOYSA-N 0 0 300.322 0.874 10 0 DCAERN C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000584551457 337360456 /nfs/dbraw/zinc/36/04/56/337360456.db2.gz HZHRKCBRVWXXEH-KBPBESRZSA-N 0 0 323.437 0.757 10 0 DCAERN CN(CCCCCCN(C)C(=O)CN1CC1)C(=O)CN1CC1 ZINC000584651987 337380976 /nfs/dbraw/zinc/38/09/76/337380976.db2.gz WVZSIFMAGCICNF-UHFFFAOYSA-N 0 0 310.442 0.095 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCNC(=O)C2CC2)C1 ZINC000171003703 337669447 /nfs/dbraw/zinc/66/94/47/337669447.db2.gz BEQBJYCUAPVCGM-CYBMUJFWSA-N 0 0 324.425 0.603 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1CCOC[C@@H]1C ZINC000192573492 341875880 /nfs/dbraw/zinc/87/58/80/341875880.db2.gz PDDHDMRMNSKQGN-JOYOIKCWSA-N 0 0 318.377 0.928 10 0 DCAERN Cc1ccc(-c2cc(C(=O)NCCS(N)(=O)=O)[nH]n2)c(C)c1 ZINC000188204580 534177020 /nfs/dbraw/zinc/17/70/20/534177020.db2.gz PSXWRWKECCLOJV-UHFFFAOYSA-N 0 0 322.390 0.712 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000190011364 534180840 /nfs/dbraw/zinc/18/08/40/534180840.db2.gz DSZZIRDJSNVCAR-RYUDHWBXSA-N 0 0 304.412 0.486 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NCc2ccn(C)n2)[C@@]12CCCO2 ZINC000541842393 517715826 /nfs/dbraw/zinc/71/58/26/517715826.db2.gz KWUTXSFHMUNGAR-GUTXKFCHSA-N 0 0 308.382 0.946 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCC[C@H]3Cn3ccnn3)ccc21 ZINC000299744344 534340731 /nfs/dbraw/zinc/34/07/31/534340731.db2.gz OHNUGIJUQVVKKY-LBPRGKRZSA-N 0 0 311.349 0.865 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127822446 518572985 /nfs/dbraw/zinc/57/29/85/518572985.db2.gz NITWCLBAAYHZPF-GFCCVEGCSA-N 0 0 307.398 0.679 10 0 DCAERN CC(C)(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116834201 518993445 /nfs/dbraw/zinc/99/34/45/518993445.db2.gz JLASKOLLNMJGOM-VIFPVBQESA-N 0 0 314.411 0.471 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000163570372 519327514 /nfs/dbraw/zinc/32/75/14/519327514.db2.gz PPJCADGIGPWGSK-QWRGUYRKSA-N 0 0 304.412 0.342 10 0 DCAERN NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000192890081 534433871 /nfs/dbraw/zinc/43/38/71/534433871.db2.gz CZEJNIMCINKBRX-SNVBAGLBSA-N 0 0 300.318 0.440 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000121764238 519556750 /nfs/dbraw/zinc/55/67/50/519556750.db2.gz UVBUFJXWIFLWQD-LBPRGKRZSA-N 0 0 305.382 0.632 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000247924883 519572367 /nfs/dbraw/zinc/57/23/67/519572367.db2.gz IFITXZQUIIUWCJ-UHFFFAOYSA-N 0 0 314.345 0.087 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000299741336 534441214 /nfs/dbraw/zinc/44/12/14/534441214.db2.gz DULPDJULXUHNOE-OCCSQVGLSA-N 0 0 316.336 0.839 10 0 DCAERN CC(=O)NC1CN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000190481843 519647586 /nfs/dbraw/zinc/64/75/86/519647586.db2.gz JAOFABLYFNYGSM-UHFFFAOYSA-N 0 0 304.306 0.609 10 0 DCAERN CC(=O)NC1CN(C(=O)CCCNC(=O)c2ccsc2)C1 ZINC000190499998 519647679 /nfs/dbraw/zinc/64/76/79/519647679.db2.gz ALWYSKWQCPOJEC-UHFFFAOYSA-N 0 0 309.391 0.605 10 0 DCAERN CC(=O)NC1CN(C(=O)NC[C@H](C)N2CCc3ccccc32)C1 ZINC000189840683 519648215 /nfs/dbraw/zinc/64/82/15/519648215.db2.gz JJGKGCUHNYFIJN-LBPRGKRZSA-N 0 0 316.405 0.968 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190803457 519942175 /nfs/dbraw/zinc/94/21/75/519942175.db2.gz WMRNIOIJUUPINV-AWEZNQCLSA-N 0 0 310.398 0.429 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000118874759 520240025 /nfs/dbraw/zinc/24/00/25/520240025.db2.gz SCOJGOLHVRBZBU-UHFFFAOYSA-N 0 0 322.409 0.404 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CCC1 ZINC000176341292 520705563 /nfs/dbraw/zinc/70/55/63/520705563.db2.gz JDBXFSSULQTZSZ-UHFFFAOYSA-N 0 0 303.362 0.959 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)CNC(=O)c1cccnc1 ZINC000189797947 521262159 /nfs/dbraw/zinc/26/21/59/521262159.db2.gz HOZFKKFPLSCYGP-JTQLQIEISA-N 0 0 319.283 0.583 10 0 DCAERN CCC1(CC)CN(C[C@@H](O)CN2CCCC2=O)CC[S@@]1=O ZINC000249009183 521690180 /nfs/dbraw/zinc/69/01/80/521690180.db2.gz OIENOBVYTWUKOY-LRTDBIEQSA-N 0 0 316.467 0.593 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000184935655 521740532 /nfs/dbraw/zinc/74/05/32/521740532.db2.gz MLJSFXFCIYIMEN-NSHDSACASA-N 0 0 316.365 0.502 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000190895471 521750070 /nfs/dbraw/zinc/75/00/70/521750070.db2.gz YSGPFWLCSUUDKE-CHWSQXEVSA-N 0 0 302.334 0.312 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190536313 521752896 /nfs/dbraw/zinc/75/28/96/521752896.db2.gz QFDKDGSKTJDQQW-LLVKDONJSA-N 0 0 316.354 0.733 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)OC)cc1 ZINC000188530494 521858637 /nfs/dbraw/zinc/85/86/37/521858637.db2.gz UQYKBQCVAQZWFB-UWVGGRQHSA-N 0 0 300.380 0.748 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000188987714 522201533 /nfs/dbraw/zinc/20/15/33/522201533.db2.gz HMASKACMUZCTRP-JTQLQIEISA-N 0 0 300.380 0.464 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccc(OC)cc2O)CC1 ZINC000156721291 522206142 /nfs/dbraw/zinc/20/61/42/522206142.db2.gz VOEAZUYDFKZUGH-GFCCVEGCSA-N 0 0 308.378 0.930 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N2CC(CO)C2)ncn1 ZINC000189360963 522570168 /nfs/dbraw/zinc/57/01/68/522570168.db2.gz IPUCOGGXRYMMAU-LBPRGKRZSA-N 0 0 320.397 0.121 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000189163573 522591132 /nfs/dbraw/zinc/59/11/32/522591132.db2.gz JPQCBHGMPIOYHR-UHFFFAOYSA-N 0 0 316.357 0.904 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000189139806 522591531 /nfs/dbraw/zinc/59/15/31/522591531.db2.gz OGMSGRYUOHTTLR-UHFFFAOYSA-N 0 0 306.362 0.785 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCOc1cccc(C(N)=O)c1 ZINC000189129434 522593035 /nfs/dbraw/zinc/59/30/35/522593035.db2.gz HPPRFDGIAVRRPO-UHFFFAOYSA-N 0 0 306.362 0.785 10 0 DCAERN CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000189149499 522599187 /nfs/dbraw/zinc/59/91/87/522599187.db2.gz WWZXIVVMPBPWND-ZFWWWQNUSA-N 0 0 317.389 0.832 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2cccs2)C1 ZINC000188378397 522757846 /nfs/dbraw/zinc/75/78/46/522757846.db2.gz ASUIPNLHDQKHHN-SNVBAGLBSA-N 0 0 311.407 0.836 10 0 DCAERN CN(CCCn1ccnc1)C(=O)NCCCN1CCCC1=O ZINC000134742525 522799573 /nfs/dbraw/zinc/79/95/73/522799573.db2.gz YMEFZBCSFFWDFI-UHFFFAOYSA-N 0 0 307.398 0.927 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000130760719 523402099 /nfs/dbraw/zinc/40/20/99/523402099.db2.gz MEZQEWIQVPDQHY-CYBMUJFWSA-N 0 0 305.382 0.538 10 0 DCAERN CO[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000189110601 523415439 /nfs/dbraw/zinc/41/54/39/523415439.db2.gz IHBISBWVWHDRCU-UWVGGRQHSA-N 0 0 318.370 0.644 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)NCC(=O)NC(C)C)CCO2)cn1 ZINC000190564170 523464271 /nfs/dbraw/zinc/46/42/71/523464271.db2.gz OTSQBDSJOWBHKQ-ZDUSSCGKSA-N 0 0 323.397 0.511 10 0 DCAERN CN(Cc1cn2c(n1)CCCC2)C[C@@H](O)CN1CCOCC1 ZINC000372989725 523493825 /nfs/dbraw/zinc/49/38/25/523493825.db2.gz JYURKILXGJDQSV-OAHLLOKOSA-N 0 0 308.426 0.344 10 0 DCAERN COCCN(CCO)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000364138760 523700920 /nfs/dbraw/zinc/70/09/20/523700920.db2.gz ZRUPQMHQBLLTFQ-UHFFFAOYSA-N 0 0 322.361 0.417 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000247740777 523768469 /nfs/dbraw/zinc/76/84/69/523768469.db2.gz WWANKACQSPYSOH-XQQFMLRXSA-N 0 0 309.366 0.850 10 0 DCAERN COCCN1CCN(C(=O)NCCCc2ccccn2)CC1=O ZINC000179493561 523844940 /nfs/dbraw/zinc/84/49/40/523844940.db2.gz CFBKBDUEMACVDU-UHFFFAOYSA-N 0 0 320.393 0.514 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855268 523948467 /nfs/dbraw/zinc/94/84/67/523948467.db2.gz POBOYKMWTPDXSW-SNVBAGLBSA-N 0 0 315.320 0.786 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595296 523949413 /nfs/dbraw/zinc/94/94/13/523949413.db2.gz OCDVIIQNEFRGMO-VXGBXAGGSA-N 0 0 310.423 0.559 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000364862169 523965723 /nfs/dbraw/zinc/96/57/23/523965723.db2.gz GJFBLURQPOBJEJ-XQQFMLRXSA-N 0 0 311.382 0.054 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC1=O ZINC000127842274 524009719 /nfs/dbraw/zinc/00/97/19/524009719.db2.gz JELVUHLIVBJGHP-STQMWFEESA-N 0 0 320.397 0.321 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)CC1=O ZINC000159083071 524019452 /nfs/dbraw/zinc/01/94/52/524019452.db2.gz YUQCKOBGMCSISL-UPJWGTAASA-N 0 0 322.361 0.409 10 0 DCAERN CNC(=O)CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000157922622 524074607 /nfs/dbraw/zinc/07/46/07/524074607.db2.gz BMUHWJXQDWVQSJ-ZCFIWIBFSA-N 0 0 304.272 0.396 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ccncc2C)cn1 ZINC000189276595 524076333 /nfs/dbraw/zinc/07/63/33/524076333.db2.gz LNVTUHYOWBZGEL-UHFFFAOYSA-N 0 0 302.338 0.654 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000166772655 524082107 /nfs/dbraw/zinc/08/21/07/524082107.db2.gz VDBIROZQEBUXEN-JTQLQIEISA-N 0 0 311.288 0.640 10 0 DCAERN Cc1cccc(C)c1NCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128148491 524302197 /nfs/dbraw/zinc/30/21/97/524302197.db2.gz RTAVLNCZQFEHNH-OAHLLOKOSA-N 0 0 321.421 0.525 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCO[C@@]2(CCOC2)C1 ZINC000184485143 534774398 /nfs/dbraw/zinc/77/43/98/534774398.db2.gz WYCNRFXTBUAUDL-DOMZBBRYSA-N 0 0 306.366 0.468 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)N1CC(O)C1)C(C)C ZINC000156271805 524351990 /nfs/dbraw/zinc/35/19/90/524351990.db2.gz QTZBZEYTOXPMML-CQSZACIVSA-N 0 0 306.362 0.653 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000249630622 524527841 /nfs/dbraw/zinc/52/78/41/524527841.db2.gz VCYAKBXOEGWEHJ-MRVWCRGKSA-N 0 0 309.410 0.128 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000192919769 524581402 /nfs/dbraw/zinc/58/14/02/524581402.db2.gz PRSAXEOFHKALQQ-ZDUSSCGKSA-N 0 0 320.393 0.474 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C(=O)CCc1ccnn1C)C1CC1 ZINC000186364359 524599858 /nfs/dbraw/zinc/59/98/58/524599858.db2.gz SOEORCANCGBOLB-LLVKDONJSA-N 0 0 313.423 0.777 10 0 DCAERN COc1ccnc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1 ZINC000157022459 524841627 /nfs/dbraw/zinc/84/16/27/524841627.db2.gz GTBXETWHDYWFBL-GFCCVEGCSA-N 0 0 308.382 0.541 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2cccs2)CCS1(=O)=O ZINC000151053462 524924774 /nfs/dbraw/zinc/92/47/74/524924774.db2.gz LSFBPQPKUGYOTA-LLVKDONJSA-N 0 0 316.448 0.825 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)[C@@H](C)CO ZINC000153999767 524970514 /nfs/dbraw/zinc/97/05/14/524970514.db2.gz RWYXZUNOQHVWJI-RYUDHWBXSA-N 0 0 318.377 0.807 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1C(N)=O ZINC000158823840 525069237 /nfs/dbraw/zinc/06/92/37/525069237.db2.gz SZNZUPYMZOMKQH-BDAKNGLRSA-N 0 0 316.379 0.089 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ncnn1C)c1ccccc1 ZINC000191080436 525260557 /nfs/dbraw/zinc/26/05/57/525260557.db2.gz SRGCKQSWKVJNGY-GHMZBOCLSA-N 0 0 322.390 0.855 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1cn(-c2ccccc2)nn1 ZINC000155855552 525320663 /nfs/dbraw/zinc/32/06/63/525320663.db2.gz RLPUEAJVTQSQOB-LLVKDONJSA-N 0 0 324.344 0.852 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(F)F ZINC000120455848 525395433 /nfs/dbraw/zinc/39/54/33/525395433.db2.gz UUXBAGSTXDOADD-SSDOTTSWSA-N 0 0 317.317 0.495 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)sc1Cl ZINC000188147612 525400122 /nfs/dbraw/zinc/40/01/22/525400122.db2.gz POYKOYNFSJQNIB-ZETCQYMHSA-N 0 0 324.811 0.585 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N(C)C1CC1 ZINC000129073447 525425461 /nfs/dbraw/zinc/42/54/61/525425461.db2.gz RBGWCWBIUVUZRM-UHFFFAOYSA-N 0 0 310.375 0.958 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000191897225 525559861 /nfs/dbraw/zinc/55/98/61/525559861.db2.gz OQGXEBKJQVRXPI-CYZMBNFOSA-N 0 0 306.366 0.457 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000114841846 525766032 /nfs/dbraw/zinc/76/60/32/525766032.db2.gz JUTFQDKIPARFAB-LLVKDONJSA-N 0 0 302.334 0.698 10 0 DCAERN C[C@@H](O)CCNC(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000161927620 525766979 /nfs/dbraw/zinc/76/69/79/525766979.db2.gz XPEAXHUHUGWEGF-MRVPVSSYSA-N 0 0 321.303 0.977 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cccnc1 ZINC000132565651 525930994 /nfs/dbraw/zinc/93/09/94/525930994.db2.gz WANPBBDETDHMQS-GFCCVEGCSA-N 0 0 304.394 0.639 10 0 DCAERN C[C@H](C(=O)NCCC1=CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246451128 526042718 /nfs/dbraw/zinc/04/27/18/526042718.db2.gz LNOPSXSJBHREGM-NFAWXSAZSA-N 0 0 323.437 0.956 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000188851916 526202835 /nfs/dbraw/zinc/20/28/35/526202835.db2.gz GLBWUJVSFQECQR-QMMMGPOBSA-N 0 0 316.404 0.502 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCC(=O)NCC3CC3)no2)c1 ZINC000183496614 526265258 /nfs/dbraw/zinc/26/52/58/526265258.db2.gz VDVYWJVURWJTON-UHFFFAOYSA-N 0 0 317.349 0.484 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cn2)C1 ZINC000331010875 526584003 /nfs/dbraw/zinc/58/40/03/526584003.db2.gz VNJWRPDGZCTSDJ-ZDUSSCGKSA-N 0 0 318.377 0.980 10 0 DCAERN Cc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@@H]2O)c(=O)[nH]1 ZINC000158261764 526710258 /nfs/dbraw/zinc/71/02/58/526710258.db2.gz RJYDBVAYWREBRR-JSGCOSHPSA-N 0 0 307.394 0.987 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000364828358 526791524 /nfs/dbraw/zinc/79/15/24/526791524.db2.gz FBQYEIKLUYVNCD-AWEZNQCLSA-N 0 0 303.362 0.558 10 0 DCAERN NC(=O)NC(=O)CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000266850699 526925777 /nfs/dbraw/zinc/92/57/77/526925777.db2.gz DCACRCXXXCLHRG-UHFFFAOYSA-N 0 0 313.361 0.552 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)O1 ZINC000365028594 526972486 /nfs/dbraw/zinc/97/24/86/526972486.db2.gz OPGRYSYKCDGDIT-DCAQKATOSA-N 0 0 309.391 0.882 10 0 DCAERN NC(=O)[C@H]1COCCN1CCC(=O)N1CCc2ccccc2C1 ZINC000189148778 527014109 /nfs/dbraw/zinc/01/41/09/527014109.db2.gz XHLTWKBIBDPPSF-OAHLLOKOSA-N 0 0 317.389 0.148 10 0 DCAERN NC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000073634938 527053035 /nfs/dbraw/zinc/05/30/35/527053035.db2.gz VNFUFUXGNOPHTP-UHFFFAOYSA-N 0 0 301.327 0.899 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000270510044 527181915 /nfs/dbraw/zinc/18/19/15/527181915.db2.gz OHFHTXFXOBFBKG-LLVKDONJSA-N 0 0 311.349 0.682 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@H](F)C[C@@H]1CO ZINC000364565433 527281685 /nfs/dbraw/zinc/28/16/85/527281685.db2.gz VQMPLBPRCPPHCK-NXEZZACHSA-N 0 0 317.338 0.551 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCOC[C@@H](O)C2)cc1 ZINC000295614993 527311968 /nfs/dbraw/zinc/31/19/68/527311968.db2.gz OAGOXAMMDGQHSN-NHYWBVRUSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCOC[C@H](O)C2)c1 ZINC000295784010 527367920 /nfs/dbraw/zinc/36/79/20/527367920.db2.gz ZFRAZMYUBSXULS-IAQYHMDHSA-N 0 0 306.362 0.909 10 0 DCAERN O=C(N1CCO[C@@H](c2nccs2)C1)[C@@]1(O)CCSC1 ZINC000271022306 527443758 /nfs/dbraw/zinc/44/37/58/527443758.db2.gz UZVMKBVXKDRKNK-BXKDBHETSA-N 0 0 300.405 0.911 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000178129588 527477685 /nfs/dbraw/zinc/47/76/85/527477685.db2.gz BMPQOFBBEPOYAV-AAEUAGOBSA-N 0 0 307.394 0.513 10 0 DCAERN O=C(Nc1nnc(C(F)(F)F)s1)N1CCO[C@H](CO)C1 ZINC000267446275 527533677 /nfs/dbraw/zinc/53/36/77/527533677.db2.gz LJYKGGKADBUPLM-YFKPBYRVSA-N 0 0 312.273 0.782 10 0 DCAERN O=C(NC1CN(C(=O)NCCCNc2ccccn2)C1)C1CC1 ZINC000190269800 527542346 /nfs/dbraw/zinc/54/23/46/527542346.db2.gz QKWUFYPQDBFKHD-UHFFFAOYSA-N 0 0 317.393 0.804 10 0 DCAERN Cn1nccc1C1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000162983953 527597171 /nfs/dbraw/zinc/59/71/71/527597171.db2.gz KVSVJOOZCVHNDH-ZDUSSCGKSA-N 0 0 319.409 0.930 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CCSC2)CC(=O)N1C ZINC000366421091 527627659 /nfs/dbraw/zinc/62/76/59/527627659.db2.gz NYVNXZDXCOGOPN-NRUUGDAUSA-N 0 0 308.407 0.561 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)NCc2noc(C)n2)C1(C)C ZINC000188935655 527970570 /nfs/dbraw/zinc/97/05/70/527970570.db2.gz BESBSHKESIJQND-QMTHXVAHSA-N 0 0 312.370 0.743 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@@H](C(=O)NC)C(C)C)CCCC1 ZINC000178589516 528173701 /nfs/dbraw/zinc/17/37/01/528173701.db2.gz KVBHTRMYZCGNTQ-LLVKDONJSA-N 0 0 312.414 0.505 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000188771051 528312253 /nfs/dbraw/zinc/31/22/53/528312253.db2.gz CUGYWKWPXRTCIS-KGLIPLIRSA-N 0 0 311.426 0.160 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000187105121 528807485 /nfs/dbraw/zinc/80/74/85/528807485.db2.gz FJGROGXYAHTTDV-JHJVBQTASA-N 0 0 318.439 0.610 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCCNC(=O)C(C)C ZINC000178882296 528975728 /nfs/dbraw/zinc/97/57/28/528975728.db2.gz UUJSOEVNRTXIJP-LBPRGKRZSA-N 0 0 314.430 0.753 10 0 DCAERN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)[C@H](C)O ZINC000456189259 535884198 /nfs/dbraw/zinc/88/41/98/535884198.db2.gz KDWKQUDGEIBDPB-CABZTGNLSA-N 0 0 300.380 0.484 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCOC[C@@H]2CC(N)=O)c1 ZINC000457852278 536879989 /nfs/dbraw/zinc/87/99/89/536879989.db2.gz VPKMZKACYDWZMQ-ZDUSSCGKSA-N 0 0 320.345 0.498 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592750 545649186 /nfs/dbraw/zinc/64/91/86/545649186.db2.gz UQADRGQMCPSQIE-NSHDSACASA-N 0 0 315.370 0.697 10 0 DCAERN CN(CC1CC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000080068464 545687014 /nfs/dbraw/zinc/68/70/14/545687014.db2.gz SPZUOAODOSLSCK-UHFFFAOYSA-N 0 0 318.425 0.650 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CCC1CC1 ZINC000092316095 545721298 /nfs/dbraw/zinc/72/12/98/545721298.db2.gz XJQDQJOOBRVJAN-LLVKDONJSA-N 0 0 314.411 0.979 10 0 DCAERN C[C@@H](C(=O)NCc1ncn(C)n1)N1C(=O)c2ccccc2C1=O ZINC000092893151 545724493 /nfs/dbraw/zinc/72/44/93/545724493.db2.gz JHGZIKNVCDEFAL-VIFPVBQESA-N 0 0 313.317 0.116 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)COC[C@@H]3CCOC3)CCO2)c1 ZINC000117800749 545736639 /nfs/dbraw/zinc/73/66/39/545736639.db2.gz HCRDLZLNFURWGE-HUUCEWRRSA-N 0 0 323.393 0.472 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)no1 ZINC000135196101 545805773 /nfs/dbraw/zinc/80/57/73/545805773.db2.gz UGOJVNQYTSZIMA-LBPRGKRZSA-N 0 0 321.381 0.968 10 0 DCAERN C[C@H](O)C(=O)N1CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000153143505 545831365 /nfs/dbraw/zinc/83/13/65/545831365.db2.gz OJASBFHVWGMBRH-NSHDSACASA-N 0 0 324.450 0.767 10 0 DCAERN O=C(CN1CCOC[C@@H]1CO)N1CCSc2ccccc21 ZINC000168867559 545879623 /nfs/dbraw/zinc/87/96/23/545879623.db2.gz LICVZNXUAQAHBT-LBPRGKRZSA-N 0 0 308.403 0.818 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)COC1 ZINC000179357768 545898988 /nfs/dbraw/zinc/89/89/88/545898988.db2.gz ZRPMGAYQWDQCSH-UHFFFAOYSA-N 0 0 314.345 0.964 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC3(CO)CCC3)cnc12 ZINC000182313177 545904941 /nfs/dbraw/zinc/90/49/41/545904941.db2.gz PHXQXZXTCZFEPH-UHFFFAOYSA-N 0 0 301.346 0.895 10 0 DCAERN COc1cc(N2CCN(CC(=O)NCC3CCC3)CC2)ncn1 ZINC000184085558 545909864 /nfs/dbraw/zinc/90/98/64/545909864.db2.gz JVGCQTAGEGNPKF-UHFFFAOYSA-N 0 0 319.409 0.524 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NCc2ccc(C(F)F)cc2)c1=O ZINC000184599582 545910285 /nfs/dbraw/zinc/91/02/85/545910285.db2.gz YRIHYZQSKBPMNQ-UHFFFAOYSA-N 0 0 323.299 0.801 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(c3cccnn3)CC2)cn1 ZINC000187390391 545916091 /nfs/dbraw/zinc/91/60/91/545916091.db2.gz OXPVSYSGWKETSX-UHFFFAOYSA-N 0 0 314.349 0.628 10 0 DCAERN CCOc1cnc(C(=O)N[C@H]2CCc3nc(CC)nn3C2)cn1 ZINC000189616621 545921777 /nfs/dbraw/zinc/92/17/77/545921777.db2.gz FTTKNLUXHZJXQA-JTQLQIEISA-N 0 0 316.365 0.774 10 0 DCAERN C[C@H]1CN(c2ccccc2F)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000190232989 545922547 /nfs/dbraw/zinc/92/25/47/545922547.db2.gz CZLWBVWYMRSZCX-NWDGAFQWSA-N 0 0 305.353 0.999 10 0 DCAERN O=C(c1ccc(F)c(Cl)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000211638624 545937629 /nfs/dbraw/zinc/93/76/29/545937629.db2.gz OGONAMARMPIMNI-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(N3CCCCC3)ncn2)CC1 ZINC000238970393 545960226 /nfs/dbraw/zinc/96/02/26/545960226.db2.gz ZIQUQNDIBFUOCC-UHFFFAOYSA-N 0 0 317.393 0.771 10 0 DCAERN O=C(NCCN1CCOCC1)c1cc(N2CCCCC2)ncn1 ZINC000243331488 545960791 /nfs/dbraw/zinc/96/07/91/545960791.db2.gz LPCINGYNTXRBIH-UHFFFAOYSA-N 0 0 319.409 0.529 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246602104 545965680 /nfs/dbraw/zinc/96/56/80/545965680.db2.gz ZRISNJAOLNSHMZ-IJLUTSLNSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000251677969 545973844 /nfs/dbraw/zinc/97/38/44/545973844.db2.gz IUFURWPFVCEMFG-CBBWQLFWSA-N 0 0 324.421 0.561 10 0 DCAERN Cc1[nH]nc(C(=O)Nc2ccn(CCN3CCOCC3)n2)c1C ZINC000329319037 546046574 /nfs/dbraw/zinc/04/65/74/546046574.db2.gz SZNCQKZGKWGUOE-UHFFFAOYSA-N 0 0 318.381 0.808 10 0 DCAERN Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000332761025 546059279 /nfs/dbraw/zinc/05/92/79/546059279.db2.gz RKICNQPQJPRVFT-MVWJERBFSA-N 0 0 309.370 0.554 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@H]21 ZINC000332810494 546061175 /nfs/dbraw/zinc/06/11/75/546061175.db2.gz ONLDQRASHQSJSY-OLZOCXBDSA-N 0 0 310.785 0.959 10 0 DCAERN COc1cc(N2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)ncn1 ZINC000332874783 546064248 /nfs/dbraw/zinc/06/42/48/546064248.db2.gz YHAXBUCQKCDVLQ-NEPJUHHUSA-N 0 0 321.381 0.494 10 0 DCAERN C[C@H](NC(=O)[C@H]1C[C@]12CCOC2)c1ccc(S(N)(=O)=O)cc1 ZINC000332870481 546064260 /nfs/dbraw/zinc/06/42/60/546064260.db2.gz VWLDJWHMWPCWEA-ZBINZKHDSA-N 0 0 324.402 0.938 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)CN2CCN(C)C(=O)C2)cs1 ZINC000333097462 546072028 /nfs/dbraw/zinc/07/20/28/546072028.db2.gz DUNUNHLHAAVVMQ-ZDUSSCGKSA-N 0 0 322.434 0.889 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333358860 546078602 /nfs/dbraw/zinc/07/86/02/546078602.db2.gz GWZIOGJGJKFFCM-UPJWGTAASA-N 0 0 321.381 0.170 10 0 DCAERN CC1(C)C[C@@H]1c1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000349958828 546160235 /nfs/dbraw/zinc/16/02/35/546160235.db2.gz HYNJAXRALRHJOK-SNVBAGLBSA-N 0 0 314.411 0.660 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000401857058 546226280 /nfs/dbraw/zinc/22/62/80/546226280.db2.gz GMUDQPFGNMVVMG-LLVKDONJSA-N 0 0 306.409 0.614 10 0 DCAERN O=C(c1ncnc2[nH]ccc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000669243286 546942672 /nfs/dbraw/zinc/94/26/72/546942672.db2.gz YICMTAGOUXRKJN-LLVKDONJSA-N 0 0 301.350 0.456 10 0 DCAERN CC(C)Oc1nccnc1N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671466364 547218641 /nfs/dbraw/zinc/21/86/41/547218641.db2.gz LNLAMMFBPISUSX-AWEZNQCLSA-N 0 0 304.354 0.497 10 0 DCAERN CS(=O)(=O)c1cnn(C[C@@H](C(N)=S)C(F)(F)F)c1 ZINC000725242323 548749090 /nfs/dbraw/zinc/74/90/90/548749090.db2.gz UJQUZSRPBTUHLW-LURJTMIESA-N 0 0 301.315 0.751 10 0 DCAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCC3)C2)C1 ZINC000888098204 661175452 /nfs/dbraw/zinc/17/54/52/661175452.db2.gz HHPPFFBQEJVEIE-JTQLQIEISA-N 0 0 309.341 0.199 10 0 DCAERN COc1nc(C)ncc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000888099094 661178060 /nfs/dbraw/zinc/17/80/60/661178060.db2.gz ROGHSBUCOORWSR-YPMHNXCESA-N 0 0 304.350 0.581 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC000121471137 657468788 /nfs/dbraw/zinc/46/87/88/657468788.db2.gz VJJVPUYMUWFROG-UHFFFAOYSA-N 0 0 301.350 0.485 10 0 DCAERN CNc1nc(C(=O)NCC(C)(C)CS(C)(=O)=O)cs1 ZINC000723846179 657633048 /nfs/dbraw/zinc/63/30/48/657633048.db2.gz OQEVWFNQUWRCCQ-UHFFFAOYSA-N 0 0 305.425 0.985 10 0 DCAERN C[C@H](Cn1cccn1)OC(=O)CCN1CCCS1(=O)=O ZINC000176255612 658012556 /nfs/dbraw/zinc/01/25/56/658012556.db2.gz NQZPDIADBAOCEV-LLVKDONJSA-N 0 0 301.368 0.240 10 0 DCAERN CN(Cc1cccs1)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725006582 658018757 /nfs/dbraw/zinc/01/87/57/658018757.db2.gz RFWAOEOQKLDAMW-LLVKDONJSA-N 0 0 302.421 0.483 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccccc1Cl ZINC000725023794 658027648 /nfs/dbraw/zinc/02/76/48/658027648.db2.gz KXULQIDBHKTBDC-LLVKDONJSA-N 0 0 316.810 0.733 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNCc1ncc(Cl)s1 ZINC000725042171 658079290 /nfs/dbraw/zinc/07/92/90/658079290.db2.gz GLYHCWFZKOMABO-QMMMGPOBSA-N 0 0 309.844 0.663 10 0 DCAERN NS(=O)(=O)C1(CNc2ccc(Br)nn2)CCC1 ZINC000721580269 658138461 /nfs/dbraw/zinc/13/84/61/658138461.db2.gz YMCHVQCNAMDQMT-UHFFFAOYSA-N 0 0 321.200 0.862 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(F)n1 ZINC000160506543 658158002 /nfs/dbraw/zinc/15/80/02/658158002.db2.gz BRHJICLBWZKLCD-UHFFFAOYSA-N 0 0 314.276 0.863 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)C2CN(C(C)=O)C2)cn1 ZINC000276487366 658280764 /nfs/dbraw/zinc/28/07/64/658280764.db2.gz RVRVZMYFJAJHIB-UONOGXRCSA-N 0 0 306.366 0.328 10 0 DCAERN Nc1ncc(S(=O)(=O)N[C@@H]2CCc3ccccc3C2)cn1 ZINC000051634158 658392526 /nfs/dbraw/zinc/39/25/26/658392526.db2.gz VCXUSBOKSXJJSV-GFCCVEGCSA-N 0 0 304.375 0.895 10 0 DCAERN CN(CC(=O)N[C@H]1CCC(=O)NC1=O)c1ccc(Cl)cn1 ZINC000089753728 658456801 /nfs/dbraw/zinc/45/68/01/658456801.db2.gz RAHWQKWWAPSIND-VIFPVBQESA-N 0 0 310.741 0.093 10 0 DCAERN COC(=O)c1nc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)cs1 ZINC000721417710 658636697 /nfs/dbraw/zinc/63/66/97/658636697.db2.gz BUZKWFWZCCATBS-YUMQZZPRSA-N 0 0 300.336 0.152 10 0 DCAERN COCCOCCCNC(=O)c1csc(C(=O)OC)n1 ZINC000721427200 658688276 /nfs/dbraw/zinc/68/82/76/658688276.db2.gz NEVJQDXTSBYKID-UHFFFAOYSA-N 0 0 302.352 0.713 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)COCC(C)C ZINC000356527146 665608815 /nfs/dbraw/zinc/60/88/15/665608815.db2.gz FMICOTMZAGYCPD-NEPJUHHUSA-N 0 0 304.412 0.058 10 0 DCAERN C=CCNC(=O)CN1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000051148235 658815582 /nfs/dbraw/zinc/81/55/82/658815582.db2.gz AINZGFMESCRBND-MRXNPFEDSA-N 0 0 321.396 0.779 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255888297 658853369 /nfs/dbraw/zinc/85/33/69/658853369.db2.gz SVKVTKKITLWDDA-DGCLKSJQSA-N 0 0 319.409 0.425 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@@H](O)c1ccccc1F)C(C)C ZINC000178398049 659050908 /nfs/dbraw/zinc/05/09/08/659050908.db2.gz UUFFUURHCTWBMB-CHWSQXEVSA-N 0 0 311.357 0.929 10 0 DCAERN CCS(=O)(=O)CCN(C)Cc1nnc(C2CCC2)n1C ZINC000181521067 659056911 /nfs/dbraw/zinc/05/69/11/659056911.db2.gz FDUPBKMNIGDUKH-UHFFFAOYSA-N 0 0 300.428 0.949 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1=O ZINC000190595408 659229645 /nfs/dbraw/zinc/22/96/45/659229645.db2.gz ROKAFAGIAGLFCI-CYBMUJFWSA-N 0 0 305.309 0.967 10 0 DCAERN CCOC(=O)C[C@H](O)Cn1cncc(Br)c1=O ZINC000166912535 659270071 /nfs/dbraw/zinc/27/00/71/659270071.db2.gz KJYDJXNHKPFLSJ-ZETCQYMHSA-N 0 0 305.128 0.320 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)s1 ZINC000311670063 659348626 /nfs/dbraw/zinc/34/86/26/659348626.db2.gz HEQLRVNARHSDSM-DTWKUNHWSA-N 0 0 306.409 0.981 10 0 DCAERN C[C@@H]1CNCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000193356106 659437091 /nfs/dbraw/zinc/43/70/91/659437091.db2.gz OPJIDTYEMZUJJR-SECBINFHSA-N 0 0 314.798 0.970 10 0 DCAERN O=C(OCCN1CCCCC1=O)[C@@H]1COCCN1CC(F)F ZINC000194929848 659522804 /nfs/dbraw/zinc/52/28/04/659522804.db2.gz ZVUUDSGPUONJJE-NSHDSACASA-N 0 0 320.336 0.508 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)C(C)C ZINC000178437157 659524185 /nfs/dbraw/zinc/52/41/85/659524185.db2.gz ORFVIWYWFPUSCD-XJKSGUPXSA-N 0 0 307.394 0.964 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ncccc1Br ZINC000310096802 659571718 /nfs/dbraw/zinc/57/17/18/659571718.db2.gz LUTVNNCWHMHZIQ-SNVBAGLBSA-N 0 0 300.156 0.530 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc3nnc(C)n3c2)CC1 ZINC000299636234 659584825 /nfs/dbraw/zinc/58/48/25/659584825.db2.gz XGFWAJLVCDKQFV-UHFFFAOYSA-N 0 0 301.350 0.732 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1C ZINC000094855546 661299656 /nfs/dbraw/zinc/29/96/56/661299656.db2.gz GUIRVHXLGCNKIU-ZJUUUORDSA-N 0 0 310.375 0.745 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178685079 661465227 /nfs/dbraw/zinc/46/52/27/661465227.db2.gz CHTWVGIJEJGKKH-HNNXBMFYSA-N 0 0 315.373 1.000 10 0 DCAERN Cc1ncc(CN2CCN(CN3CC(=O)N(C)C3=O)CC2)s1 ZINC000182279187 665767228 /nfs/dbraw/zinc/76/72/28/665767228.db2.gz BQEOTKYVKMTASW-UHFFFAOYSA-N 0 0 323.422 0.421 10 0 DCAERN NC(=O)Cc1csc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000220550825 661516141 /nfs/dbraw/zinc/51/61/41/661516141.db2.gz MRVMHJWERZSAFJ-SSDOTTSWSA-N 0 0 305.363 0.638 10 0 DCAERN O=C(NCCCn1cncn1)N1CCC(c2ncc[nH]2)CC1 ZINC000726703805 661664613 /nfs/dbraw/zinc/66/46/13/661664613.db2.gz DRMZZOKEEJRMSX-UHFFFAOYSA-N 0 0 303.370 0.981 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCC(C2OCCO2)CC1 ZINC000726775144 661667976 /nfs/dbraw/zinc/66/79/76/661667976.db2.gz GSQJTXYOPDDZNH-UHFFFAOYSA-N 0 0 302.334 0.954 10 0 DCAERN CN[C@H](C(=O)NC[C@H](O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000262044458 661982306 /nfs/dbraw/zinc/98/23/06/661982306.db2.gz GRHAWLXYKOQKJI-KBPBESRZSA-N 0 0 306.341 0.670 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@]1(O)CCc2ccccc21 ZINC000182487580 665831104 /nfs/dbraw/zinc/83/11/04/665831104.db2.gz XJKHVEAQEODDMI-INIZCTEOSA-N 0 0 315.377 0.801 10 0 DCAERN CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCCCNC1=O ZINC000728704463 662411972 /nfs/dbraw/zinc/41/19/72/662411972.db2.gz KLMIQMXLDDOCGI-LBPRGKRZSA-N 0 0 320.393 0.948 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000728703920 662412948 /nfs/dbraw/zinc/41/29/48/662412948.db2.gz SRVUPDXECAIXDP-UHFFFAOYSA-N 0 0 318.326 0.108 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000728709640 662413054 /nfs/dbraw/zinc/41/30/54/662413054.db2.gz UUSQRPURPYLYEA-ZDUSSCGKSA-N 0 0 300.380 0.321 10 0 DCAERN CCN(CC(=O)OC)CN1c2cc(OC)ccc2C(=O)C1=O ZINC000728708833 662413102 /nfs/dbraw/zinc/41/31/02/662413102.db2.gz JLNNOCVYVCEUEQ-UHFFFAOYSA-N 0 0 306.318 0.677 10 0 DCAERN O=C(CN1CCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@H]21 ZINC000160720005 662581981 /nfs/dbraw/zinc/58/19/81/662581981.db2.gz MLTADDRALAWSHX-KGLIPLIRSA-N 0 0 310.394 0.605 10 0 DCAERN CC(C)[C@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)N(C)C ZINC000729708685 662907669 /nfs/dbraw/zinc/90/76/69/662907669.db2.gz YGXJOHFGTJATQV-AWEZNQCLSA-N 0 0 312.366 0.572 10 0 DCAERN CNC(=O)c1ccc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cn1 ZINC000729714401 662907925 /nfs/dbraw/zinc/90/79/25/662907925.db2.gz PHBXDOANCMIYLB-LBPRGKRZSA-N 0 0 307.350 0.711 10 0 DCAERN C[S@@](=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000730093776 663044096 /nfs/dbraw/zinc/04/40/96/663044096.db2.gz FLDXJQBPGPBGNZ-WHEQGISXSA-N 0 0 324.402 0.912 10 0 DCAERN Cc1cc(=O)[nH]c(N2CCN(C(=O)CSC(C)C)CC2)n1 ZINC000096599703 663070284 /nfs/dbraw/zinc/07/02/84/663070284.db2.gz HJMNIJKZPIJFNK-UHFFFAOYSA-N 0 0 310.423 0.869 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)[C@H](C)O ZINC000344895668 663079970 /nfs/dbraw/zinc/07/99/70/663079970.db2.gz XMOQHVBHNSMTQV-SFYZADRCSA-N 0 0 300.336 0.179 10 0 DCAERN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)[C@@H]2CN(C)C[C@H](C)O2)C1 ZINC000898558159 663095541 /nfs/dbraw/zinc/09/55/41/663095541.db2.gz XGAHAAJEALIYBP-CYDGBPFRSA-N 0 0 316.373 0.455 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000346247055 663139835 /nfs/dbraw/zinc/13/98/35/663139835.db2.gz CEZQGRMJVVKTDD-LSDHHAIUSA-N 0 0 322.430 0.875 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccccc2Br)C1 ZINC000042419366 663337585 /nfs/dbraw/zinc/33/75/85/663337585.db2.gz HTRXLUAEVMXGPG-GHMZBOCLSA-N 0 0 320.208 0.697 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCCC[C@H]1CC ZINC000031475049 663587811 /nfs/dbraw/zinc/58/78/11/663587811.db2.gz URSXLJUKZJFNPE-HZPDHXFCSA-N 0 0 317.433 0.756 10 0 DCAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CCNC(=O)CO ZINC000908108245 663734062 /nfs/dbraw/zinc/73/40/62/663734062.db2.gz NMHUFQSIFUIPRE-ZENOOKHLSA-N 0 0 312.410 0.417 10 0 DCAERN C/C=C\[C@H](O)C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000908315414 663748499 /nfs/dbraw/zinc/74/84/99/663748499.db2.gz YXJLGHHYVBCMAL-KRURLVKSSA-N 0 0 301.350 0.679 10 0 DCAERN COc1ccc(OCC(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 ZINC000909147563 663783357 /nfs/dbraw/zinc/78/33/57/663783357.db2.gz GWVWPLRZLPNSPP-IIAWOOMASA-N 0 0 317.345 0.761 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cnn2c1CCCC2 ZINC000909167664 663785322 /nfs/dbraw/zinc/78/53/22/663785322.db2.gz OACVHEBCRYSKSW-BNOWGMLFSA-N 0 0 301.350 0.520 10 0 DCAERN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909190445 663786017 /nfs/dbraw/zinc/78/60/17/663786017.db2.gz OMKFDIYEQXHLIM-YRGRVCCFSA-N 0 0 301.350 0.598 10 0 DCAERN O=C(Cc1cnn2ccccc12)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909193056 663786144 /nfs/dbraw/zinc/78/61/44/663786144.db2.gz HPWPHPNAWSBJLR-XNRPHZJLSA-N 0 0 311.345 0.564 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000912187513 664147221 /nfs/dbraw/zinc/14/72/21/664147221.db2.gz JIWOAHDQACTONE-UONOGXRCSA-N 0 0 308.378 0.330 10 0 DCAERN CC(C)(C)OC(=O)N1CC(CC(=O)N2CCOC[C@H]2CO)C1 ZINC000912419507 664173780 /nfs/dbraw/zinc/17/37/80/664173780.db2.gz CMYDPPFYWFBSED-GFCCVEGCSA-N 0 0 314.382 0.463 10 0 DCAERN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCOC[C@@H]1CO ZINC000912421386 664174161 /nfs/dbraw/zinc/17/41/61/664174161.db2.gz JGYJWYWUJGGLQS-JTQLQIEISA-N 0 0 322.752 0.754 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCCc2ccc(Cl)nc2)C1=O ZINC000150928537 664213768 /nfs/dbraw/zinc/21/37/68/664213768.db2.gz SHSMGCHOAKYVBI-UHFFFAOYSA-N 0 0 324.768 0.724 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913089740 664267256 /nfs/dbraw/zinc/26/72/56/664267256.db2.gz KNXSNVJAEPNJHF-HKUMRIAESA-N 0 0 321.377 0.792 10 0 DCAERN COc1ccc([C@@H](C)C(=O)NC[C@@]2(CO)COCCN2)cc1 ZINC000913189522 664286522 /nfs/dbraw/zinc/28/65/22/664286522.db2.gz YQEKCVCJDZTQDW-MLGOLLRUSA-N 0 0 308.378 0.266 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000163677769 664355184 /nfs/dbraw/zinc/35/51/84/664355184.db2.gz QNENTHQUTBRKBE-DTWKUNHWSA-N 0 0 324.768 0.786 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCc1cnn(C)c1 ZINC000054813208 664356768 /nfs/dbraw/zinc/35/67/68/664356768.db2.gz UDJCRWWGZARCLP-CYBMUJFWSA-N 0 0 304.350 0.962 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000164107282 664366633 /nfs/dbraw/zinc/36/66/33/664366633.db2.gz LYJUZNILDWNAJQ-LLVKDONJSA-N 0 0 302.400 0.026 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@@H](C(N)=O)O1 ZINC000157403089 664470335 /nfs/dbraw/zinc/47/03/35/664470335.db2.gz WNIJKWXYMZERID-SVRRBLITSA-N 0 0 317.139 0.757 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C)sc1C ZINC000168984148 664535090 /nfs/dbraw/zinc/53/50/90/664535090.db2.gz KWJREXALCVUVMQ-NXEZZACHSA-N 0 0 319.404 0.662 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000227812501 664539110 /nfs/dbraw/zinc/53/91/10/664539110.db2.gz WOQQVXFFESCUIQ-JGVFFNPUSA-N 0 0 321.786 0.503 10 0 DCAERN O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CSC(=O)N1 ZINC000174329427 664638739 /nfs/dbraw/zinc/63/87/39/664638739.db2.gz GLNHCWKYFJHBDD-MRVPVSSYSA-N 0 0 311.329 0.954 10 0 DCAERN OC[C@H]1CN(c2nccn3nc(C(F)(F)F)cc23)CCO1 ZINC000130040037 664639992 /nfs/dbraw/zinc/63/99/92/664639992.db2.gz NIXVENWVABEXMB-MRVPVSSYSA-N 0 0 302.256 0.946 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCc1ccsc1)c2=O ZINC000174640722 664658110 /nfs/dbraw/zinc/65/81/10/664658110.db2.gz WNAYDNFVXVGASY-UHFFFAOYSA-N 0 0 304.331 0.935 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N[C@H](C)C(C)C ZINC000730305472 664681334 /nfs/dbraw/zinc/68/13/34/664681334.db2.gz NLMLOYVKYLMOFE-KOLCDFICSA-N 0 0 302.396 0.612 10 0 DCAERN C[C@H]1CN(CN2c3ccccc3C(=O)C2=O)CCS1(=O)=O ZINC000151604179 664707842 /nfs/dbraw/zinc/70/78/42/664707842.db2.gz ZENIEJHSRYGQGJ-JTQLQIEISA-N 0 0 308.359 0.292 10 0 DCAERN COCCn1cnn(CN2CCC[C@H](C(=O)OC)C2)c1=S ZINC000151615963 664708977 /nfs/dbraw/zinc/70/89/77/664708977.db2.gz FLGQJLMABQTPPC-NSHDSACASA-N 0 0 314.411 0.903 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@@H](O)c1ccccc1F ZINC000152025147 664729276 /nfs/dbraw/zinc/72/92/76/664729276.db2.gz RKQKBVCGHWSOMX-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC000152660356 664768275 /nfs/dbraw/zinc/76/82/75/664768275.db2.gz UQQKAGXCQBMOAB-ZDUSSCGKSA-N 0 0 319.453 0.980 10 0 DCAERN C[NH+](C)C[C@@H]1CN(Cn2ncc(Cl)c(Cl)c2=O)CCO1 ZINC000152971677 664785554 /nfs/dbraw/zinc/78/55/54/664785554.db2.gz UPGCDFBYSZKGBV-SECBINFHSA-N 0 0 321.208 0.770 10 0 DCAERN CC1(C)CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](CO)O1 ZINC000228951581 664810495 /nfs/dbraw/zinc/81/04/95/664810495.db2.gz XJOUARHNFFRKKX-OLZOCXBDSA-N 0 0 320.455 0.130 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000193219164 664823658 /nfs/dbraw/zinc/82/36/58/664823658.db2.gz DCTZQNNRQKJJRC-YPMHNXCESA-N 0 0 306.362 0.713 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000154699013 665164806 /nfs/dbraw/zinc/16/48/06/665164806.db2.gz UHJAMHAYIUJVPP-UHFFFAOYSA-N 0 0 315.395 0.067 10 0 DCAERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(F)(F)F ZINC000174921910 665309259 /nfs/dbraw/zinc/30/92/59/665309259.db2.gz LQLJTNNFZURCLG-KPJROHGDSA-N 0 0 306.240 0.591 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C1=O ZINC000064381531 665313254 /nfs/dbraw/zinc/31/32/54/665313254.db2.gz NLIUCRPQESPFPE-LLVKDONJSA-N 0 0 312.414 0.901 10 0 DCAERN O=C(NCCCN1CCOC1=O)c1cccnc1-n1cccn1 ZINC000170857143 665390839 /nfs/dbraw/zinc/39/08/39/665390839.db2.gz DNCKNVTUMJDFHK-UHFFFAOYSA-N 0 0 315.333 0.839 10 0 DCAERN C[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000068115839 665398252 /nfs/dbraw/zinc/39/82/52/665398252.db2.gz JFPLMLIEJRWJFC-KWQFWETISA-N 0 0 316.354 0.770 10 0 DCAERN CCNC(=O)NCCCOC(=O)c1ccc2nnn(C)c2c1 ZINC000183588595 666073985 /nfs/dbraw/zinc/07/39/85/666073985.db2.gz RUHDYAIZVSXNRF-UHFFFAOYSA-N 0 0 305.338 0.834 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC000358453785 666239449 /nfs/dbraw/zinc/23/94/49/666239449.db2.gz NNJMLJBKKBLFLX-QWHCGFSZSA-N 0 0 321.402 0.641 10 0 DCAERN C[C@@H]1OCC[C@H]1OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000184705553 666260894 /nfs/dbraw/zinc/26/08/94/666260894.db2.gz GAUGMHBRSLYUPH-UONOGXRCSA-N 0 0 305.378 0.924 10 0 DCAERN COCCN(CCC(=O)OC)C(=O)c1cn2cccnc2n1 ZINC000733268768 666410761 /nfs/dbraw/zinc/41/07/61/666410761.db2.gz SEFQZIIOHMNBHD-UHFFFAOYSA-N 0 0 306.322 0.381 10 0 DCAERN Cn1nccc1CCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000186743524 666588073 /nfs/dbraw/zinc/58/80/73/666588073.db2.gz HRLRZUSEKDHWOP-NSHDSACASA-N 0 0 306.288 0.671 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880008 666823732 /nfs/dbraw/zinc/82/37/32/666823732.db2.gz RSAVJUUUFJQTFJ-XUSGNXJCSA-N 0 0 308.403 0.924 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000733960988 666832193 /nfs/dbraw/zinc/83/21/93/666832193.db2.gz PYIATORIIJALEG-OAQYLSRUSA-N 0 0 307.379 0.469 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NCC[S@@](=O)CC ZINC000733963687 666832804 /nfs/dbraw/zinc/83/28/04/666832804.db2.gz HCLNZNBPAJAUIS-DGIBIBHMSA-N 0 0 306.453 0.573 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cnc2ccc(C)cn2c1=O ZINC000733966630 666832953 /nfs/dbraw/zinc/83/29/53/666832953.db2.gz HSFXHWVLBGHNMD-NRFANRHFSA-N 0 0 307.375 0.501 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000733965710 666833079 /nfs/dbraw/zinc/83/30/79/666833079.db2.gz ICWHVVPBMCUIND-NRFANRHFSA-N 0 0 308.359 0.167 10 0 DCAERN COCCS(=O)(=O)CC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000733979684 666835773 /nfs/dbraw/zinc/83/57/73/666835773.db2.gz BOJYJZFVGMKTKR-UHFFFAOYSA-N 0 0 324.362 0.471 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000734513231 666884599 /nfs/dbraw/zinc/88/45/99/666884599.db2.gz VZVWPAPLPQKSJT-HXUWFJFHSA-N 0 0 319.408 0.749 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ccc(Br)nn2)C1 ZINC000701999766 666899350 /nfs/dbraw/zinc/89/93/50/666899350.db2.gz ZEYCMICWDAHCQC-ZETCQYMHSA-N 0 0 321.200 0.367 10 0 DCAERN C[C@H]1CN(c2ccc(Br)nn2)CCS1(=O)=O ZINC000702009019 666908232 /nfs/dbraw/zinc/90/82/32/666908232.db2.gz VXTMMTNTSWVGTQ-ZETCQYMHSA-N 0 0 306.185 0.862 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC1CCN(C(C)=O)CC1 ZINC000734895903 666925892 /nfs/dbraw/zinc/92/58/92/666925892.db2.gz MQIOZFVHJZTGGC-ZDUSSCGKSA-N 0 0 314.407 0.710 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCn1nc(C)cc1C ZINC000735109045 666947199 /nfs/dbraw/zinc/94/71/99/666947199.db2.gz FPLGSPYKBSSVSK-FQEVSTJZSA-N 0 0 300.428 0.958 10 0 DCAERN CCN(C(=O)NCC[S@](=O)CC)[C@H](C)CS(C)(=O)=O ZINC000735109744 666951102 /nfs/dbraw/zinc/95/11/02/666951102.db2.gz JKLVIJJUWWCXAV-MLCYQJTMSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCC(=O)N1CCCCCC1 ZINC000735093414 666951258 /nfs/dbraw/zinc/95/12/58/666951258.db2.gz BKSOKGMAPZPJHT-OAQYLSRUSA-N 0 0 317.455 0.847 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(c2ccccn2)CC1 ZINC000735112271 666954726 /nfs/dbraw/zinc/95/47/26/666954726.db2.gz UIRWYDYGZFUHIJ-NRFANRHFSA-N 0 0 310.423 0.682 10 0 DCAERN CCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702811288 666999128 /nfs/dbraw/zinc/99/91/28/666999128.db2.gz GBGLNJFFAFMXHB-GHMZBOCLSA-N 0 0 302.371 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000702817039 666999921 /nfs/dbraw/zinc/99/99/21/666999921.db2.gz SRYADANOKNKCLY-QWRGUYRKSA-N 0 0 310.354 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000702818495 667000022 /nfs/dbraw/zinc/00/00/22/667000022.db2.gz JSOWCVOBKKJNIV-NWDGAFQWSA-N 0 0 322.365 0.434 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=S)NC2CCCCC2)C1 ZINC000703143403 667062168 /nfs/dbraw/zinc/06/21/68/667062168.db2.gz XYJGHFYMUQLWCW-NSHDSACASA-N 0 0 305.469 0.817 10 0 DCAERN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000703173661 667064971 /nfs/dbraw/zinc/06/49/71/667064971.db2.gz KRKWDNNTRCSIBA-HYWTVENDSA-N 0 0 300.424 0.553 10 0 DCAERN CCn1ncc(C(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)n1 ZINC000862913916 667091626 /nfs/dbraw/zinc/09/16/26/667091626.db2.gz QMJGQEAQPULTTJ-LDYMZIIASA-N 0 0 306.326 0.592 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnn(C3CC3)c2)cn1 ZINC000862921308 667092244 /nfs/dbraw/zinc/09/22/44/667092244.db2.gz NIHFYJUHYRHNCW-UONOGXRCSA-N 0 0 317.349 0.528 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cn1 ZINC000704260372 667199356 /nfs/dbraw/zinc/19/93/56/667199356.db2.gz BYYQJTHOCOYNHZ-BDAKNGLRSA-N 0 0 300.409 0.717 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708149090 667442039 /nfs/dbraw/zinc/44/20/39/667442039.db2.gz NNOAEGVRVCPLBF-UHFFFAOYSA-N 0 0 300.384 0.316 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1cccc(Br)n1 ZINC000706798382 667423681 /nfs/dbraw/zinc/42/36/81/667423681.db2.gz DCNFRSOLIYELRA-IONNQARKSA-N 0 0 301.140 0.724 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@@H](S(N)(=O)=O)C2)n1 ZINC000707412064 667438766 /nfs/dbraw/zinc/43/87/66/667438766.db2.gz BIBBJCZJYNFKNL-MRVPVSSYSA-N 0 0 320.802 0.534 10 0 DCAERN C[C@](O)(CNS(=O)(=O)C1CCC(=O)CC1)C(F)(F)F ZINC000708184595 667442150 /nfs/dbraw/zinc/44/21/50/667442150.db2.gz YJJXIINKZPJAGA-VIFPVBQESA-N 0 0 303.302 0.731 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 ZINC000134729850 667551525 /nfs/dbraw/zinc/55/15/25/667551525.db2.gz IXZSSXYTLHNXNN-IBGZPJMESA-N 0 0 319.404 0.059 10 0 DCAERN CCOC(=O)CCN(Cn1nc(C(=O)OC)ccc1=O)C1CC1 ZINC000739844618 667721115 /nfs/dbraw/zinc/72/11/15/667721115.db2.gz DHQXXKGIABQWFJ-UHFFFAOYSA-N 0 0 323.349 0.405 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@@H]21 ZINC000886035262 667725813 /nfs/dbraw/zinc/72/58/13/667725813.db2.gz NZTOLERIFBCAPP-QWHCGFSZSA-N 0 0 301.350 0.784 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCCc2c(C)noc2C)C1=O ZINC000886075129 667729178 /nfs/dbraw/zinc/72/91/78/667729178.db2.gz CAAYZJZXAIXPDX-AWEZNQCLSA-N 0 0 323.393 0.978 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2nnc(C)n2C2CC2)C1=O ZINC000886077686 667729272 /nfs/dbraw/zinc/72/92/72/667729272.db2.gz FYUMXTWLBQNDPL-LBPRGKRZSA-N 0 0 321.381 0.887 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC000886079447 667729792 /nfs/dbraw/zinc/72/97/92/667729792.db2.gz ATTWCCNRZUZQMF-YPMHNXCESA-N 0 0 318.381 0.673 10 0 DCAERN Cc1ncc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)[nH]1 ZINC000886097045 667732489 /nfs/dbraw/zinc/73/24/89/667732489.db2.gz JUHBCYPATHOLFU-KBPBESRZSA-N 0 0 318.381 0.253 10 0 DCAERN COc1nsc(CNC[C@@H](O)[C@H](C)O)c1Br ZINC000717389239 667750113 /nfs/dbraw/zinc/75/01/13/667750113.db2.gz VJZKBFLYEKHGCA-NTSWFWBYSA-N 0 0 311.201 0.746 10 0 DCAERN CCc1n[nH]cc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000741236139 667763129 /nfs/dbraw/zinc/76/31/29/667763129.db2.gz CNWCCFAQDIAJJZ-UHFFFAOYSA-N 0 0 311.367 0.466 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000741422738 667770973 /nfs/dbraw/zinc/77/09/73/667770973.db2.gz YQXYNKNWWVYUES-IBGZPJMESA-N 0 0 318.420 0.980 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000741423014 667771120 /nfs/dbraw/zinc/77/11/20/667771120.db2.gz PINCNPOTWRQHOL-LAJNKCICSA-N 0 0 314.411 0.952 10 0 DCAERN Cn1ccnc1C[C@@H](NC(=S)NCC(N)=O)c1ccccc1 ZINC000743023358 667801717 /nfs/dbraw/zinc/80/17/17/667801717.db2.gz WYSQNMVPOXQXAI-GFCCVEGCSA-N 0 0 317.418 0.653 10 0 DCAERN C[C@@H](CCNS(=O)(=O)c1ncn(C)c1Cl)[S@@](C)=O ZINC000123973415 667871386 /nfs/dbraw/zinc/87/13/86/667871386.db2.gz JIWLGQCVNZNDDH-SKLCBMLGSA-N 0 0 313.832 0.509 10 0 DCAERN C[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCc2ccccc21 ZINC000187284120 668207498 /nfs/dbraw/zinc/20/74/98/668207498.db2.gz YGNMVYDQAGCIPR-HUUCEWRRSA-N 0 0 317.433 0.963 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc[nH]n1 ZINC000125559234 668364009 /nfs/dbraw/zinc/36/40/09/668364009.db2.gz MNNAGXAOZMYHJQ-QMMMGPOBSA-N 0 0 319.346 0.475 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126560635 668622988 /nfs/dbraw/zinc/62/29/88/668622988.db2.gz AJUMVOZGOXSTDE-OCCSQVGLSA-N 0 0 310.419 0.949 10 0 DCAERN Cc1cccc(CN(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126579357 668627805 /nfs/dbraw/zinc/62/78/05/668627805.db2.gz IMLFGCAPARJPFU-CQSZACIVSA-N 0 0 310.419 0.730 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCC(=O)OC1CCCCC1 ZINC000128629306 669265447 /nfs/dbraw/zinc/26/54/47/669265447.db2.gz GBBMRKGJESNFBD-UHFFFAOYSA-N 0 0 307.350 0.730 10 0 DCAERN CCn1ncc2c1CCC[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC000934074572 669565175 /nfs/dbraw/zinc/56/51/75/669565175.db2.gz YHGIXJZDGAVHAR-ONGXEEELSA-N 0 0 304.350 0.449 10 0 DCAERN COc1cc(F)ccc1N1CCN(Cn2ncn(C)c2=O)CC1 ZINC000132779192 669746733 /nfs/dbraw/zinc/74/67/33/669746733.db2.gz WACAHOMDCXAACT-UHFFFAOYSA-N 0 0 321.356 0.509 10 0 DCAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000717212521 669759265 /nfs/dbraw/zinc/75/92/65/669759265.db2.gz HPQDGUNIQMQXDS-QNWJLWSRSA-N 0 0 300.424 0.948 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC000041448533 669823763 /nfs/dbraw/zinc/82/37/63/669823763.db2.gz VUNOWKLEHALACX-CYBMUJFWSA-N 0 0 302.330 0.857 10 0 DCAERN CCOC(=O)c1cc(C(=O)N2CCSC[C@H]2CO)on1 ZINC000387807660 1157936727 /nfs/dbraw/zinc/93/67/27/1157936727.db2.gz RFQSKUZWTKSEPY-MRVPVSSYSA-N 0 0 300.336 0.401 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)[C@H]2CCOC2)cc1 ZINC000048628216 669941129 /nfs/dbraw/zinc/94/11/29/669941129.db2.gz GWJPVSWVNJFQHH-LBPRGKRZSA-N 0 0 312.391 0.419 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000191209970 669990708 /nfs/dbraw/zinc/99/07/08/669990708.db2.gz LGTMPSAVJXKDHU-LSDHHAIUSA-N 0 0 322.430 0.936 10 0 DCAERN C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)NCC)c1 ZINC000075391994 670006153 /nfs/dbraw/zinc/00/61/53/670006153.db2.gz LCXMRMCGSLBINV-UHFFFAOYSA-N 0 0 304.371 0.693 10 0 DCAERN CCN1CN(CC(=O)NNC(=O)c2ccccc2Cl)CC1=O ZINC000191570722 670063156 /nfs/dbraw/zinc/06/31/56/670063156.db2.gz LNOBCPKSOCEMEI-UHFFFAOYSA-N 0 0 324.768 0.223 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@@H]1CCCCO1 ZINC000078763495 670113723 /nfs/dbraw/zinc/11/37/23/670113723.db2.gz ULMIPCFZZIQSQY-NSHDSACASA-N 0 0 318.329 0.802 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000192222426 670139600 /nfs/dbraw/zinc/13/96/00/670139600.db2.gz FKMUDKMTHKMFLM-SNVBAGLBSA-N 0 0 314.407 0.818 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000713916762 670169184 /nfs/dbraw/zinc/16/91/84/670169184.db2.gz UPPGPJGGSMKKMQ-VIFPVBQESA-N 0 0 311.354 0.160 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cn(C)nc1Br ZINC000713822460 670170398 /nfs/dbraw/zinc/17/03/98/670170398.db2.gz QKPKPCJWNUPKFR-RKDXNWHRSA-N 0 0 318.171 0.291 10 0 DCAERN COC(=O)c1cncnc1N(C)CC(C)(C)S(C)(=O)=O ZINC000713955810 670172680 /nfs/dbraw/zinc/17/26/80/670172680.db2.gz NBZFCOACMPXGRS-UHFFFAOYSA-N 0 0 301.368 0.523 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1 ZINC000713963061 670172723 /nfs/dbraw/zinc/17/27/23/670172723.db2.gz OLSTWTKYVQZKEA-UHFFFAOYSA-N 0 0 320.436 0.713 10 0 DCAERN CC1=C(C(=O)NCCCn2ccnn2)[C@@H](C)n2ncnc2N1C ZINC000192586220 670183947 /nfs/dbraw/zinc/18/39/47/670183947.db2.gz NLOZTDWWKQDCKV-LLVKDONJSA-N 0 0 316.369 0.361 10 0 DCAERN CCN1CN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1=O ZINC000192675477 670185318 /nfs/dbraw/zinc/18/53/18/670185318.db2.gz PDDXMKADHKKKAJ-JTQLQIEISA-N 0 0 304.354 0.211 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000714472023 670189745 /nfs/dbraw/zinc/18/97/45/670189745.db2.gz JPEZREWMOHOYSI-UHFFFAOYSA-N 0 0 323.729 0.388 10 0 DCAERN COC(=O)C[C@@H]1CN(S(=O)(=O)CCCC2CC2)CCO1 ZINC000714956188 670202147 /nfs/dbraw/zinc/20/21/47/670202147.db2.gz FGFYIAVCXMVIBL-GFCCVEGCSA-N 0 0 305.396 0.770 10 0 DCAERN COC(=O)C[C@H]1CN(S(=O)(=O)CCCC2CC2)CCO1 ZINC000714956189 670202346 /nfs/dbraw/zinc/20/23/46/670202346.db2.gz FGFYIAVCXMVIBL-LBPRGKRZSA-N 0 0 305.396 0.770 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCC23OCCO3)C1 ZINC000715929663 670226292 /nfs/dbraw/zinc/22/62/92/670226292.db2.gz GRYOCCGDKXZNPB-RYUDHWBXSA-N 0 0 304.412 0.848 10 0 DCAERN CCOc1ccccc1CNC(=O)[C@H]1Cn2c(C)nnc2CN1 ZINC000818056797 670965272 /nfs/dbraw/zinc/96/52/72/670965272.db2.gz HEYJMRCHISXSDY-CYBMUJFWSA-N 0 0 315.377 0.773 10 0 DCAERN CCCCC[C@@H](C)NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891102 671137147 /nfs/dbraw/zinc/13/71/47/671137147.db2.gz AIBUWNQXQSECMR-OLZOCXBDSA-N 0 0 319.471 0.695 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)NCCC1=CCCC1 ZINC000121499714 671924328 /nfs/dbraw/zinc/92/43/28/671924328.db2.gz VKVGKFPFPIYOQL-UHFFFAOYSA-N 0 0 304.412 0.847 10 0 DCAERN O=C(NCc1ccc(-n2ccnc2)cc1)N1CCNC(=O)CC1 ZINC000105197167 672096915 /nfs/dbraw/zinc/09/69/15/672096915.db2.gz JIHLJMMVAYUBMG-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105817571 672235649 /nfs/dbraw/zinc/23/56/49/672235649.db2.gz FXLPPQMCNWKQMS-HUUCEWRRSA-N 0 0 317.389 0.000 10 0 DCAERN Cn1ncc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)n1 ZINC000389869712 685258337 /nfs/dbraw/zinc/25/83/37/685258337.db2.gz ITPILNMCADIRDW-UHFFFAOYSA-N 0 0 305.722 0.481 10 0 DCAERN CCOCc1nc(Cl)cc(NCC(=O)NCC(F)F)n1 ZINC000393721626 685265781 /nfs/dbraw/zinc/26/57/81/685265781.db2.gz YDBNARYNZLDNSF-UHFFFAOYSA-N 0 0 308.716 0.882 10 0 DCAERN C[C@H](CNc1nc(Cl)nc2ccccc21)S(N)(=O)=O ZINC000398268996 685274688 /nfs/dbraw/zinc/27/46/88/685274688.db2.gz ZCTMEYMCGOTLTA-SSDOTTSWSA-N 0 0 300.771 0.794 10 0 DCAERN CCOC(=O)[C@H](N)C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720311459 685312700 /nfs/dbraw/zinc/31/27/00/685312700.db2.gz XWJFXVVNUCYNKQ-RXMQYKEDSA-N 0 0 308.203 0.165 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000720845993 685315894 /nfs/dbraw/zinc/31/58/94/685315894.db2.gz OGUAAADRIJNNPV-CYBMUJFWSA-N 0 0 301.339 0.759 10 0 DCAERN Nc1nccnc1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720285138 685312829 /nfs/dbraw/zinc/31/28/29/685312829.db2.gz GKVUBDFHTLJIQY-UHFFFAOYSA-N 0 0 300.187 0.960 10 0 DCAERN CO[C@]1(CN[C@@H](C)C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000720874916 685316527 /nfs/dbraw/zinc/31/65/27/685316527.db2.gz QRHLLOBKSRKRKR-GWCFXTLKSA-N 0 0 307.412 0.510 10 0 DCAERN C[C@H](C(=O)NCc1cn(C)nc1Br)S(C)(=O)=O ZINC000720678985 685314951 /nfs/dbraw/zinc/31/49/51/685314951.db2.gz XEJUKVCKUWTIED-ZCFIWIBFSA-N 0 0 324.200 0.232 10 0 DCAERN CO[C@@]1(CNc2ccc([C@H](C)O)cn2)CCS(=O)(=O)C1 ZINC000721187758 685316922 /nfs/dbraw/zinc/31/69/22/685316922.db2.gz SITPVUFRTKCTBS-GXFFZTMASA-N 0 0 300.380 0.751 10 0 DCAERN CO[C@]1(CNc2nccc(SC)n2)CCS(=O)(=O)C1 ZINC000721177496 685317221 /nfs/dbraw/zinc/31/72/21/685317221.db2.gz GPMWYIOIRVQGLN-NSHDSACASA-N 0 0 303.409 0.814 10 0 DCAERN CCc1cnc(CNC[C@@]2(OC)CCS(=O)(=O)C2)s1 ZINC000721231266 685318017 /nfs/dbraw/zinc/31/80/17/685318017.db2.gz VXGOJGBHAGBMSZ-LBPRGKRZSA-N 0 0 304.437 0.999 10 0 DCAERN CC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000722043913 685318752 /nfs/dbraw/zinc/31/87/52/685318752.db2.gz PQSYKCKYYJMXEX-RYUDHWBXSA-N 0 0 302.396 0.238 10 0 DCAERN COC(=O)c1nc(C(=O)NCCN2CCSCC2)cs1 ZINC000721432047 685318970 /nfs/dbraw/zinc/31/89/70/685318970.db2.gz BAYSVMQLHFOPLD-UHFFFAOYSA-N 0 0 315.420 0.708 10 0 DCAERN CC(C)C[C@@H]1CCCN1C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725005307 685319863 /nfs/dbraw/zinc/31/98/63/685319863.db2.gz IYRRYYCSFWJMDH-STQMWFEESA-N 0 0 302.440 0.800 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)Nc1cccc(F)c1F ZINC000725010852 685320137 /nfs/dbraw/zinc/32/01/37/685320137.db2.gz MFBCSVFSIDHRPV-MRVPVSSYSA-N 0 0 304.318 0.680 10 0 DCAERN NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CSC(=O)N2)c1 ZINC000040378200 685057922 /nfs/dbraw/zinc/05/79/22/685057922.db2.gz QKGJGLNXGQYFPN-QMMMGPOBSA-N 0 0 301.349 0.098 10 0 DCAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@H]1CCC(=O)NC1=O ZINC000089333071 685094239 /nfs/dbraw/zinc/09/42/39/685094239.db2.gz YNCIEEJXAIVFRD-WDEREUQCSA-N 0 0 310.737 0.685 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)NCCc2ccccc2)CCSC1 ZINC000096364671 685111107 /nfs/dbraw/zinc/11/11/07/685111107.db2.gz OJYAPHIYEUXTPX-MRXNPFEDSA-N 0 0 322.430 0.984 10 0 DCAERN COC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000246618900 685165607 /nfs/dbraw/zinc/16/56/07/685165607.db2.gz SMYQGCVPARQLME-SUHUHFCYSA-N 0 0 309.366 0.908 10 0 DCAERN CC(C)[C@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000247001029 685168679 /nfs/dbraw/zinc/16/86/79/685168679.db2.gz LWOXOIXLRRRAAF-NWDGAFQWSA-N 0 0 303.428 0.072 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C2(O)CCSCC2)C[C@@H]1C ZINC000247184219 685170776 /nfs/dbraw/zinc/17/07/76/685170776.db2.gz JLYPDZFDOWBCQD-RYUDHWBXSA-N 0 0 302.440 0.158 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000247954412 685173461 /nfs/dbraw/zinc/17/34/61/685173461.db2.gz SAMMQPQQNOTJQN-UHFFFAOYSA-N 0 0 317.345 0.675 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2CSCCS2)CCN1CCO ZINC000250145285 685184792 /nfs/dbraw/zinc/18/47/92/685184792.db2.gz ZRXHPCNBCUHIIS-RYUDHWBXSA-N 0 0 304.481 0.750 10 0 DCAERN COC(=O)[C@H](C)CNc1ncc(I)cn1 ZINC000379958011 685235434 /nfs/dbraw/zinc/23/54/34/685235434.db2.gz WBQKPZOVLQSOTN-ZCFIWIBFSA-N 0 0 321.118 0.724 10 0 DCAERN COCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000381962716 685239578 /nfs/dbraw/zinc/23/95/78/685239578.db2.gz HOWOOBDEWUBSFG-JKSUJKDBSA-N 0 0 321.421 0.367 10 0 DCAERN Cn1cc(Br)c(CNC(=O)c2cnn(C)c2N)n1 ZINC000393602904 1157800388 /nfs/dbraw/zinc/80/03/88/1157800388.db2.gz DQMOIOPIHSPYRB-UHFFFAOYSA-N 0 0 313.159 0.428 10 0 DCAERN C[C@@H](NC(=O)c1cc(F)c(Br)cc1N)C(N)=O ZINC000379727104 1157983002 /nfs/dbraw/zinc/98/30/02/1157983002.db2.gz XDBSMVJBQWZIEJ-SCSAIBSYSA-N 0 0 304.119 0.774 10 0 DCAERN O=S(=O)(NCCc1cn[nH]c1)c1cccc2nsnc21 ZINC000379856036 1157994234 /nfs/dbraw/zinc/99/42/34/1157994234.db2.gz NLTSTVMFNRTRSX-UHFFFAOYSA-N 0 0 309.376 0.935 10 0 DCAERN Cn1ccc(C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000585388026 1158111437 /nfs/dbraw/zinc/11/14/37/1158111437.db2.gz JYNMQVVCGUOFOZ-GFCCVEGCSA-N 0 0 311.407 0.561 10 0 DCAERN CCc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)cc(Cl)n1 ZINC000398289433 1158115232 /nfs/dbraw/zinc/11/52/32/1158115232.db2.gz OVWUFKGECJIKKI-ZETCQYMHSA-N 0 0 305.787 0.704 10 0 DCAERN C[C@@H](CCCCO)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000398729240 1158130280 /nfs/dbraw/zinc/13/02/80/1158130280.db2.gz LTUCWLPTQJWANJ-NSHDSACASA-N 0 0 306.428 0.325 10 0 DCAERN OCCCOCCNc1ncc(I)cn1 ZINC000308905616 1158188492 /nfs/dbraw/zinc/18/84/92/1158188492.db2.gz DLAXVXRZINENNO-UHFFFAOYSA-N 0 0 323.134 0.892 10 0 DCAERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N[C@H]1CCCNC1=O ZINC000332968500 1158257127 /nfs/dbraw/zinc/25/71/27/1158257127.db2.gz ILZOENFZTHOSTC-QWRGUYRKSA-N 0 0 307.354 0.320 10 0 DCAERN O=C(c1cccnc1Br)N1CC[C@H](O)[C@H](CO)C1 ZINC000396930550 1158342481 /nfs/dbraw/zinc/34/24/81/1158342481.db2.gz OTXIEEZDLBMQHY-WPRPVWTQSA-N 0 0 315.167 0.659 10 0 DCAERN CCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC000036106758 1171432849 /nfs/dbraw/zinc/43/28/49/1171432849.db2.gz JYWJKIQZVZPYIX-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000040327833 1171486409 /nfs/dbraw/zinc/48/64/09/1171486409.db2.gz AMPKOOTVFJPRPM-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN CCC(=O)NCC1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000043991785 1171558845 /nfs/dbraw/zinc/55/88/45/1171558845.db2.gz JTFDTMCZWOXQKG-UHFFFAOYSA-N 0 0 305.378 0.764 10 0 DCAERN CCNc1ncc(C(=O)NCCS(N)(=O)=O)cc1Cl ZINC000050754381 1171737954 /nfs/dbraw/zinc/73/79/54/1171737954.db2.gz TXOFHIMTIMWUDB-UHFFFAOYSA-N 0 0 306.775 0.185 10 0 DCAERN C#CCN(C(=S)N[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 ZINC000054974982 1171862533 /nfs/dbraw/zinc/86/25/33/1171862533.db2.gz QTKGIPHDODVOGO-GHMZBOCLSA-N 0 0 304.437 0.018 10 0 DCAERN C#CCN(C[C@@H](O)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539298 1173761767 /nfs/dbraw/zinc/76/17/67/1173761767.db2.gz CNAKOUZBYTUFGT-HUUCEWRRSA-N 0 0 311.378 0.981 10 0 DCAERN CCCc1nc(C(=O)NOCC(N)=O)nn1-c1ccccc1F ZINC000089465507 1175319523 /nfs/dbraw/zinc/31/95/23/1175319523.db2.gz YEIFOOHFZOCGNG-UHFFFAOYSA-N 0 0 321.312 0.506 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)Cn2cc(C3CC3)nn2)n[nH]1 ZINC000119270107 1176724067 /nfs/dbraw/zinc/72/40/67/1176724067.db2.gz DLFRBSRFPFBNQE-UHFFFAOYSA-N 0 0 312.337 0.918 10 0 DCAERN Cn1cnnc1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000121128021 1176970966 /nfs/dbraw/zinc/97/09/66/1176970966.db2.gz RLOAKQWGJNRFGB-SNVBAGLBSA-N 0 0 305.338 0.018 10 0 DCAERN Cc1noc([C@H](NC(=O)N[C@H]2CCC(=O)N(C)C2)C(C)C)n1 ZINC000159730846 1180566919 /nfs/dbraw/zinc/56/69/19/1180566919.db2.gz FVQFXIXLZRENIL-CMPLNLGQSA-N 0 0 309.370 0.995 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1nnc2ccccc21 ZINC000172399475 1183845328 /nfs/dbraw/zinc/84/53/28/1183845328.db2.gz RTSCNTTVMZSFPY-MNOVXSKESA-N 0 0 322.390 0.465 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000174011057 1183954595 /nfs/dbraw/zinc/95/45/95/1183954595.db2.gz MYTRNEJDLXFTOD-PELKAZGASA-N 0 0 321.381 0.072 10 0 DCAERN Cc1noc([C@@H](NC(=O)NCCCOCCO)C(C)C)n1 ZINC000181576362 1185180971 /nfs/dbraw/zinc/18/09/71/1185180971.db2.gz FCXWRDYLQKRTAO-NSHDSACASA-N 0 0 300.359 0.773 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(CCOC2)C1 ZINC000186084466 1187348481 /nfs/dbraw/zinc/34/84/81/1187348481.db2.gz DHOHTBPLMNLZIP-HNNXBMFYSA-N 0 0 302.334 0.449 10 0 DCAERN CC(=O)NCCCN1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000194369428 1188152632 /nfs/dbraw/zinc/15/26/32/1188152632.db2.gz VLAVIZVPPPRGHG-UHFFFAOYSA-N 0 0 323.397 0.065 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)c3ccon3)c2)NC(=O)NC1=O ZINC000195012533 1188197254 /nfs/dbraw/zinc/19/72/54/1188197254.db2.gz XUVKVKLFEKISSM-OAHLLOKOSA-N 0 0 314.301 0.659 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCC(F)(F)CO)c(N)c1 ZINC000307906969 1190385182 /nfs/dbraw/zinc/38/51/82/1190385182.db2.gz RTUWNBNOOCILFR-UHFFFAOYSA-N 0 0 308.306 0.030 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)n(C)c1 ZINC000320282601 1190437942 /nfs/dbraw/zinc/43/79/42/1190437942.db2.gz OFSJOQMIQAHNSR-UHFFFAOYSA-N 0 0 318.333 0.042 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CN(C)NC2=O)sc1Br ZINC000393950636 1190701892 /nfs/dbraw/zinc/70/18/92/1190701892.db2.gz WHZJUUUEIWIRRF-LURJTMIESA-N 0 0 318.196 0.894 10 0 DCAERN O=C(CO)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000588384375 747181647 /nfs/dbraw/zinc/18/16/47/747181647.db2.gz GJEKSQRBOMWRDV-WDZFZDKYSA-N 0 0 310.375 0.124 10 0 DCAERN C[C@H](O)CN(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)[C@@H](C)CO ZINC000588553682 747435333 /nfs/dbraw/zinc/43/53/33/747435333.db2.gz WSVGXPGVKDPVCD-AVGNSLFASA-N 0 0 324.425 0.278 10 0 DCAERN CCc1cnc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)s1 ZINC000081205586 773774447 /nfs/dbraw/zinc/77/44/47/773774447.db2.gz MMTGPYSEAXNJDH-VIFPVBQESA-N 0 0 310.379 0.352 10 0 DCAERN CCc1cnc(CCNC(=O)CC[C@H]2NC(=O)NC2=O)s1 ZINC000081205585 773774691 /nfs/dbraw/zinc/77/46/91/773774691.db2.gz MMTGPYSEAXNJDH-SECBINFHSA-N 0 0 310.379 0.352 10 0 DCAERN CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccnc1F ZINC000401803802 774066302 /nfs/dbraw/zinc/06/63/02/774066302.db2.gz ARLDCTGZNIQKLP-SECBINFHSA-N 0 0 303.359 0.804 10 0 DCAERN CC(C)(CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307906622 774140317 /nfs/dbraw/zinc/14/03/17/774140317.db2.gz RKEVLPIGEGIXTK-UHFFFAOYSA-N 0 0 300.380 0.563 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)cn1 ZINC000405053075 774148046 /nfs/dbraw/zinc/14/80/46/774148046.db2.gz JDPBGKWRBRIEAT-UHFFFAOYSA-N 0 0 304.322 0.699 10 0 DCAERN COC(=O)[C@@H]1COCCN1S(=O)(=O)C1CCC(C)CC1 ZINC000407276985 774232903 /nfs/dbraw/zinc/23/29/03/774232903.db2.gz RZULVXYKRCSRLT-MCIGGMRASA-N 0 0 305.396 0.769 10 0 DCAERN CCOC(CC(=O)NCC(C)(C)NS(C)(=O)=O)OCC ZINC000407350646 774251935 /nfs/dbraw/zinc/25/19/35/774251935.db2.gz BNLXZISCTRIBFP-UHFFFAOYSA-N 0 0 310.416 0.220 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H](C)C2 ZINC000181231667 199268839 /nfs/dbraw/zinc/26/88/39/199268839.db2.gz IHDYCGZDSHAWSQ-BZNIZROVSA-N 0 0 313.357 0.895 10 0 DCAERN Cn1cc(CCC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cn1 ZINC000328625140 231257124 /nfs/dbraw/zinc/25/71/24/231257124.db2.gz CUBXTOXSLCVTNJ-INIZCTEOSA-N 0 0 320.437 0.922 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC(=O)NCCC2CCCC2)c1 ZINC000088644343 185261422 /nfs/dbraw/zinc/26/14/22/185261422.db2.gz ZNAJHSMJZCVZCB-UHFFFAOYSA-N 0 0 314.411 0.395 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)c1cnn(C)c1 ZINC000177176231 282211237 /nfs/dbraw/zinc/21/12/37/282211237.db2.gz PUBCUICPKIUBAS-ZDUSSCGKSA-N 0 0 301.350 0.799 10 0 DCAERN COc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1F ZINC000090094980 185281662 /nfs/dbraw/zinc/28/16/62/185281662.db2.gz LPXLZNWTXSVOIK-UHFFFAOYSA-N 0 0 316.354 0.552 10 0 DCAERN CNC(=O)NCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000090028853 185278902 /nfs/dbraw/zinc/27/89/02/185278902.db2.gz MVTNUYFZEXGOLY-UHFFFAOYSA-N 0 0 318.377 0.749 10 0 DCAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000082106070 192356117 /nfs/dbraw/zinc/35/61/17/192356117.db2.gz PKHLTSMJYRXBFI-WPRPVWTQSA-N 0 0 300.261 0.914 10 0 DCAERN CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002513217 545640900 /nfs/dbraw/zinc/64/09/00/545640900.db2.gz DOFAQXCYFQKSHT-UTUOFQBUSA-N 0 0 311.382 0.036 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc2[nH]ccc2c1 ZINC000092602483 185328550 /nfs/dbraw/zinc/32/85/50/185328550.db2.gz CTQAOYFJSZRJOP-CQSZACIVSA-N 0 0 318.377 0.983 10 0 DCAERN CCOc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000097000990 185396261 /nfs/dbraw/zinc/39/62/61/185396261.db2.gz NDDNERZBKHEDSX-CQSZACIVSA-N 0 0 308.378 0.508 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015724 185397220 /nfs/dbraw/zinc/39/72/20/185397220.db2.gz CICSSJDBJWKIKX-TZMCWYRMSA-N 0 0 312.391 0.901 10 0 DCAERN CN(C)c1nc(CN2CCCN(S(C)(=O)=O)CC2)ns1 ZINC000163715081 529802079 /nfs/dbraw/zinc/80/20/79/529802079.db2.gz UEGIHUJHRUXVLQ-UHFFFAOYSA-N 0 0 319.456 0.071 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948638 529852243 /nfs/dbraw/zinc/85/22/43/529852243.db2.gz LYQOXWYGRNROOF-AWEZNQCLSA-N 0 0 320.393 0.014 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccc(-n2cncn2)c1)C(C)C ZINC000178848597 529898287 /nfs/dbraw/zinc/89/82/87/529898287.db2.gz JCPBAOYOYHPSMR-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCC(=O)NC1CCCCC1)C(C)C ZINC000178417108 529919403 /nfs/dbraw/zinc/91/94/03/529919403.db2.gz YMROTZRFQNHSED-CYBMUJFWSA-N 0 0 312.414 0.505 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(-n2cncn2)c1)C(C)C ZINC000178848603 529920612 /nfs/dbraw/zinc/92/06/12/529920612.db2.gz JCPBAOYOYHPSMR-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592781 545648970 /nfs/dbraw/zinc/64/89/70/545648970.db2.gz QJGDNMAAQRIQSK-BDAKNGLRSA-N 0 0 315.370 0.682 10 0 DCAERN COC[C@H](C)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000103392851 185449732 /nfs/dbraw/zinc/44/97/32/185449732.db2.gz FENRDSJVKPQHCF-LBPRGKRZSA-N 0 0 323.397 0.902 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(CCO)CC2)[C@@H]1c1cccnc1 ZINC000187923381 530044437 /nfs/dbraw/zinc/04/44/37/530044437.db2.gz YUCZXGCZUUQBSW-HIFRSBDPSA-N 0 0 317.389 0.880 10 0 DCAERN Cn1cc([C@H]2CCCN2c2ncc(S(N)(=O)=O)s2)cn1 ZINC000108946200 185541861 /nfs/dbraw/zinc/54/18/61/185541861.db2.gz LKCGOZCQWCDYQW-SECBINFHSA-N 0 0 313.408 0.866 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1nc2cccnc2s1 ZINC000284826940 303987812 /nfs/dbraw/zinc/98/78/12/303987812.db2.gz VHDVIOIVKOLLCA-VHSXEESVSA-N 0 0 316.346 0.653 10 0 DCAERN Cc1cc(S(=O)(=O)NCC(=O)N2CCOCC2)c(C)s1 ZINC000183402061 199588134 /nfs/dbraw/zinc/58/81/34/199588134.db2.gz WQPNBNIDVITGHD-UHFFFAOYSA-N 0 0 318.420 0.502 10 0 DCAERN COC(=O)C1(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC000408456829 290883892 /nfs/dbraw/zinc/88/38/92/290883892.db2.gz LPVMTKDOXIBDAM-RYUDHWBXSA-N 0 0 301.408 0.981 10 0 DCAERN C[C@@H]1NC(C(=O)N[C@H]2CCCOC2)=NN(c2ccccc2)C1=O ZINC000170935366 197854602 /nfs/dbraw/zinc/85/46/02/197854602.db2.gz WYJUWORBHAPPBA-RYUDHWBXSA-N 0 0 316.361 0.620 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000146069022 186037776 /nfs/dbraw/zinc/03/77/76/186037776.db2.gz WITLUPGAMCEJGR-UHFFFAOYSA-N 0 0 318.333 0.824 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCn2ccnc2)C1 ZINC000171002440 197864065 /nfs/dbraw/zinc/86/40/65/197864065.db2.gz DNBPIYSHGCAHFD-CYBMUJFWSA-N 0 0 307.398 0.973 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)CCC1=O ZINC000150731713 186060787 /nfs/dbraw/zinc/06/07/87/186060787.db2.gz LNQSEKQAHKVBJN-MNOVXSKESA-N 0 0 308.407 0.849 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2noc(C)n2)C1 ZINC000175693713 186188819 /nfs/dbraw/zinc/18/88/19/186188819.db2.gz ZEOXOSHDUBFMGR-LLVKDONJSA-N 0 0 309.370 0.968 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCOCC3)C2=O)n(C)n1 ZINC000173319752 186176091 /nfs/dbraw/zinc/17/60/91/186176091.db2.gz GSFGYRRPQBTATP-GFCCVEGCSA-N 0 0 321.381 0.266 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000179722992 186210229 /nfs/dbraw/zinc/21/02/29/186210229.db2.gz CXEKPWBWRUMODZ-ZIAGYGMSSA-N 0 0 308.378 0.229 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000179687680 186205884 /nfs/dbraw/zinc/20/58/84/186205884.db2.gz PAHVYWAOJRITRE-SNVBAGLBSA-N 0 0 304.755 0.215 10 0 DCAERN NC(=O)NC(=O)CN[C@H](CO)c1cccc(Br)c1 ZINC000183892707 186228481 /nfs/dbraw/zinc/22/84/81/186228481.db2.gz KDYSBSXXPFWKIO-SECBINFHSA-N 0 0 316.155 0.267 10 0 DCAERN NC(=O)NC(=O)CN[C@@H](CO)c1cccc(Br)c1 ZINC000183892723 186228533 /nfs/dbraw/zinc/22/85/33/186228533.db2.gz KDYSBSXXPFWKIO-VIFPVBQESA-N 0 0 316.155 0.267 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171515361 197934602 /nfs/dbraw/zinc/93/46/02/197934602.db2.gz NFIGFKQGPOJMGU-LBPRGKRZSA-N 0 0 314.411 0.701 10 0 DCAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)no1 ZINC000072364004 191132775 /nfs/dbraw/zinc/13/27/75/191132775.db2.gz NBBQLXFIRMDLPQ-JTQLQIEISA-N 0 0 302.356 0.092 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)NC4(CC4)C3=O)C2)n(C)n1 ZINC000280075536 215358242 /nfs/dbraw/zinc/35/82/42/215358242.db2.gz LIYXLBUIIREHMU-NSHDSACASA-N 0 0 303.366 0.782 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCCN3CCOC3=O)C2)cn1 ZINC000172184082 198053985 /nfs/dbraw/zinc/05/39/85/198053985.db2.gz ONJOFOOSTNLSJP-GFCCVEGCSA-N 0 0 321.381 0.761 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCO[C@H](CNC(C)=O)C1 ZINC000172185788 198054765 /nfs/dbraw/zinc/05/47/65/198054765.db2.gz AGDZMOIJGIFSIR-CQSZACIVSA-N 0 0 324.352 0.949 10 0 DCAERN C[C@H](NC(=O)N1CCC(Cn2cccn2)CC1)C(=O)N(C)C ZINC000172356980 198084658 /nfs/dbraw/zinc/08/46/58/198084658.db2.gz GJPWBXMHXNWAOY-LBPRGKRZSA-N 0 0 307.398 0.781 10 0 DCAERN Cc1cc(N2CC[C@H](Sc3nnnn3C3CC3)C2=O)n(C)n1 ZINC000172913634 198166912 /nfs/dbraw/zinc/16/69/12/198166912.db2.gz PFGOZPZLTWLJFX-JTQLQIEISA-N 0 0 319.394 0.948 10 0 DCAERN C[C@@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1cccc(F)c1 ZINC000173086494 198183978 /nfs/dbraw/zinc/18/39/78/198183978.db2.gz AGBTYXNUJADKJD-SECBINFHSA-N 0 0 305.309 0.965 10 0 DCAERN O=C(N[C@@H]1CCCOC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000173162977 198191281 /nfs/dbraw/zinc/19/12/81/198191281.db2.gz HMICWULNWOSQMK-ZIAGYGMSSA-N 0 0 316.357 0.801 10 0 DCAERN Cn1nccc1C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000195513300 282861641 /nfs/dbraw/zinc/86/16/41/282861641.db2.gz BMNCTEPCMOAHPJ-AWEZNQCLSA-N 0 0 306.410 0.895 10 0 DCAERN Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)[nH]1 ZINC000173855093 198261142 /nfs/dbraw/zinc/26/11/42/198261142.db2.gz HFNJCJDULOHXFR-FZMZJTMJSA-N 0 0 305.378 0.476 10 0 DCAERN COc1ncccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173861884 198262379 /nfs/dbraw/zinc/26/23/79/198262379.db2.gz OFGFQJUFHXEVGC-JSGCOSHPSA-N 0 0 305.378 0.883 10 0 DCAERN CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000173882566 198263924 /nfs/dbraw/zinc/26/39/24/198263924.db2.gz SLCINQGXYIUVFZ-CHWSQXEVSA-N 0 0 316.357 0.862 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)[C@H]3CSC(=O)N3)CC2)cn1 ZINC000174654309 198365740 /nfs/dbraw/zinc/36/57/40/198365740.db2.gz WQGLWLHEHJIFCR-GFCCVEGCSA-N 0 0 323.422 0.279 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000176042512 198539123 /nfs/dbraw/zinc/53/91/23/198539123.db2.gz NCGLEPOCALWODW-UHFFFAOYSA-N 0 0 317.349 0.658 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)c4cccn43)C[C@@H]21 ZINC000328915664 282991325 /nfs/dbraw/zinc/99/13/25/282991325.db2.gz QWPWNTBBCHIAFD-OFQRWUPVSA-N 0 0 317.389 0.937 10 0 DCAERN CCCN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000302001499 283035666 /nfs/dbraw/zinc/03/56/66/283035666.db2.gz QSQYRWODSFCXLG-CHWSQXEVSA-N 0 0 316.423 0.423 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182829332 199497462 /nfs/dbraw/zinc/49/74/62/199497462.db2.gz BRFPNZYMEBCXRK-WBMJQRKESA-N 0 0 324.377 0.532 10 0 DCAERN CN1CC[C@@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)CC1=O ZINC000195341084 283040809 /nfs/dbraw/zinc/04/08/09/283040809.db2.gz VVSSQIYBLMHWJM-YPMHNXCESA-N 0 0 301.346 0.298 10 0 DCAERN COc1ccc(CNC(=O)CSc2nnc(N)n2C)cc1 ZINC000073697313 191344143 /nfs/dbraw/zinc/34/41/43/191344143.db2.gz KKBNCDDABBYDSD-UHFFFAOYSA-N 0 0 307.379 0.814 10 0 DCAERN Cc1nnc2sc(SCC(=O)n3ccnc3)nn2c1=O ZINC000073711609 191346564 /nfs/dbraw/zinc/34/65/64/191346564.db2.gz YIFKFOWRAAPWAL-UHFFFAOYSA-N 0 0 308.348 0.483 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077684127 191755403 /nfs/dbraw/zinc/75/54/03/191755403.db2.gz MIISQFDXCCVXMC-SECBINFHSA-N 0 0 320.328 0.901 10 0 DCAERN CN1CC[C@H](NC(=O)C(=O)Nc2cccc3c2OCCC3)C1=O ZINC000366169107 283119712 /nfs/dbraw/zinc/11/97/12/283119712.db2.gz HIXJHYALLMSYBD-LBPRGKRZSA-N 0 0 317.345 0.297 10 0 DCAERN CC(C)(NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(N)=O ZINC000081583555 192297297 /nfs/dbraw/zinc/29/72/97/192297297.db2.gz ZCICYOUBGVKXLX-UHFFFAOYSA-N 0 0 322.756 0.374 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC(=O)N1 ZINC000408199091 291105344 /nfs/dbraw/zinc/10/53/44/291105344.db2.gz YRBNACCCIRSTQD-BPNCWPANSA-N 0 0 315.373 0.340 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@@H](C)CO)C2=O)n(C)n1 ZINC000179387087 199026457 /nfs/dbraw/zinc/02/64/57/199026457.db2.gz JVLYMLKIYKKRND-RYUDHWBXSA-N 0 0 323.397 0.246 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H](C)CO ZINC000179311788 199014201 /nfs/dbraw/zinc/01/42/01/199014201.db2.gz PNVHBHNVVLBQNH-UWVGGRQHSA-N 0 0 318.370 0.332 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(CCOC)CC(C)C)cn1 ZINC000179447985 199037599 /nfs/dbraw/zinc/03/75/99/199037599.db2.gz YHDXVCLNGDQMCZ-UHFFFAOYSA-N 0 0 311.386 0.765 10 0 DCAERN COC(=O)C1CCC(C(=O)NCc2ccc(C(N)=O)o2)CC1 ZINC000179518338 199048924 /nfs/dbraw/zinc/04/89/24/199048924.db2.gz HCSMMCOMXMJJCO-UHFFFAOYSA-N 0 0 308.334 0.974 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(O)cc2O)C[C@@H]1N1CCOCC1 ZINC000179524230 199050886 /nfs/dbraw/zinc/05/08/86/199050886.db2.gz ZCRZKFUXOLEWLN-FZMZJTMJSA-N 0 0 306.362 0.891 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000180257926 199137971 /nfs/dbraw/zinc/13/79/71/199137971.db2.gz UNTDEHLBQWTQFG-JQWIXIFHSA-N 0 0 322.365 0.101 10 0 DCAERN O=C(CNC(=O)NCCNC(=O)c1ccccc1)NCC1CC1 ZINC000180424360 199157827 /nfs/dbraw/zinc/15/78/27/199157827.db2.gz OMLKOKDFGFZTEI-UHFFFAOYSA-N 0 0 318.377 0.242 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1-n1cnnn1 ZINC000180643086 199189542 /nfs/dbraw/zinc/18/95/42/199189542.db2.gz PWDGPZFIVAOHFT-GXFFZTMASA-N 0 0 317.349 0.968 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ncncc2Cl)O1 ZINC000180703471 199199406 /nfs/dbraw/zinc/19/94/06/199199406.db2.gz IDDVYWRMUCFELA-PSASIEDQSA-N 0 0 312.757 0.496 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)NCCc1ccsc1 ZINC000180926686 199228979 /nfs/dbraw/zinc/22/89/79/199228979.db2.gz CTKPDLMQWLHURE-UHFFFAOYSA-N 0 0 307.379 0.743 10 0 DCAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cnn2c1CCCC2 ZINC000181197096 199263739 /nfs/dbraw/zinc/26/37/39/199263739.db2.gz GQZXDLZUZRQBGM-LLVKDONJSA-N 0 0 302.378 0.960 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000155773014 237045869 /nfs/dbraw/zinc/04/58/69/237045869.db2.gz ZZUJKRPPQNNDGP-NXEZZACHSA-N 0 0 307.325 0.877 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CCC([C@H](C)O)CC1)N1CCOCC1 ZINC000159203375 237071341 /nfs/dbraw/zinc/07/13/41/237071341.db2.gz KZVQFFSYDOPLFS-MJBXVCDLSA-N 0 0 313.442 0.898 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000364126736 283444436 /nfs/dbraw/zinc/44/44/36/283444436.db2.gz KUCOWYIYKAJHLP-WCQYABFASA-N 0 0 319.336 0.989 10 0 DCAERN C[C@H]1CSCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000172509394 237149012 /nfs/dbraw/zinc/14/90/12/237149012.db2.gz IWYPTYUBNZUWRQ-VIFPVBQESA-N 0 0 307.379 0.094 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)CCc2cccc3c2OCO3)CC1 ZINC000186826994 200018416 /nfs/dbraw/zinc/01/84/16/200018416.db2.gz ULVHBWIBFHWXHT-CYBMUJFWSA-N 0 0 320.389 0.873 10 0 DCAERN C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C1CCCC1 ZINC000175784696 237188784 /nfs/dbraw/zinc/18/87/84/237188784.db2.gz YDGBIEBFTFZJEM-ZFWWWQNUSA-N 0 0 313.442 0.900 10 0 DCAERN COc1ccc2c(c1)N(C[C@H](O)CN1CCOCC1)C[C@H](C)O2 ZINC000173941031 237164789 /nfs/dbraw/zinc/16/47/89/237164789.db2.gz PSOPQKILPBQFGS-UONOGXRCSA-N 0 0 322.405 0.976 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173981795 237169663 /nfs/dbraw/zinc/16/96/63/237169663.db2.gz WOLXLIMVRWAMDV-UWVGGRQHSA-N 0 0 316.427 0.481 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000187276195 200087780 /nfs/dbraw/zinc/08/77/80/200087780.db2.gz ZSERSLGYUFIRRE-UHFFFAOYSA-N 0 0 318.377 0.807 10 0 DCAERN COCCn1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)cn1 ZINC000187132719 237341963 /nfs/dbraw/zinc/34/19/63/237341963.db2.gz GNIMDBBZQBCVIZ-LBPRGKRZSA-N 0 0 311.386 0.060 10 0 DCAERN COCCOc1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188702623 237378394 /nfs/dbraw/zinc/37/83/94/237378394.db2.gz DQJJYEDRNFYBTE-AWEZNQCLSA-N 0 0 322.405 0.850 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188754866 237380836 /nfs/dbraw/zinc/38/08/36/237380836.db2.gz ZPRFBZGMUUKLKA-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN COc1ccc(F)cc1CNC(=O)C(=O)Nc1ccnn1C ZINC000189216287 237391172 /nfs/dbraw/zinc/39/11/72/237391172.db2.gz ZVQGOXXZUOYCFB-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000194600287 237502690 /nfs/dbraw/zinc/50/26/90/237502690.db2.gz ARUVXRZCFUVHJS-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCN1CCO ZINC000188720949 200294209 /nfs/dbraw/zinc/29/42/09/200294209.db2.gz PQIDRRYAMRGRAT-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCN1CCO ZINC000188723087 200294332 /nfs/dbraw/zinc/29/43/32/200294332.db2.gz QLFZIWKZCGZINA-VIFPVBQESA-N 0 0 318.324 0.160 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCN1CCO ZINC000188728170 200296069 /nfs/dbraw/zinc/29/60/69/200296069.db2.gz QYGJOUYLTHYXRU-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000153984244 291210070 /nfs/dbraw/zinc/21/00/70/291210070.db2.gz KKRUJPNVBLPXJG-QWRGUYRKSA-N 0 0 322.390 0.878 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000154284676 291212440 /nfs/dbraw/zinc/21/24/40/291212440.db2.gz USDHBLDXAHORHZ-LBPRGKRZSA-N 0 0 323.736 0.789 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154465608 291214155 /nfs/dbraw/zinc/21/41/55/291214155.db2.gz UCWBZOWTCYJYEQ-ZFWWWQNUSA-N 0 0 321.425 0.666 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000272090771 209457225 /nfs/dbraw/zinc/45/72/25/209457225.db2.gz INOJEQSQAMBVSR-JTQLQIEISA-N 0 0 312.347 0.314 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000158802347 291232510 /nfs/dbraw/zinc/23/25/10/291232510.db2.gz YATHLWWRMBNJFK-QWRGUYRKSA-N 0 0 315.391 0.697 10 0 DCAERN CC[C@H](CCO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000158986169 291233522 /nfs/dbraw/zinc/23/35/22/291233522.db2.gz RAABVMQOKBPJST-VNHYZAJKSA-N 0 0 305.378 0.878 10 0 DCAERN Cn1cc2c(n1)ncnc2NCc1ccc(S(N)(=O)=O)cc1 ZINC000162956747 291245089 /nfs/dbraw/zinc/24/50/89/291245089.db2.gz GRUQFYRNKGNMFY-UHFFFAOYSA-N 0 0 318.362 0.623 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)C3=COCCC3)C2)c1=O ZINC000275622654 238310089 /nfs/dbraw/zinc/31/00/89/238310089.db2.gz JHLIKYBEZYMCBG-ZDUSSCGKSA-N 0 0 318.377 0.560 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408356529 239267005 /nfs/dbraw/zinc/26/70/05/239267005.db2.gz ZDTCHKYFJYGSSU-STQMWFEESA-N 0 0 306.428 0.700 10 0 DCAERN NC(=S)NNC(=S)NC(=O)COc1ccccc1Cl ZINC000006528775 181350834 /nfs/dbraw/zinc/35/08/34/181350834.db2.gz BIRPYUVLPMZVDA-UHFFFAOYSA-N 0 0 318.811 0.458 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CCC1=O ZINC000281645802 216444821 /nfs/dbraw/zinc/44/48/21/216444821.db2.gz QZZJEXXFJWLDIG-LLVKDONJSA-N 0 0 301.346 0.778 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275505204 212379843 /nfs/dbraw/zinc/37/98/43/212379843.db2.gz KQUZTJCPVXOSQF-OLZOCXBDSA-N 0 0 322.409 0.375 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCN(C)CC3)ccc2o1 ZINC000091198538 193017647 /nfs/dbraw/zinc/01/76/47/193017647.db2.gz BIDRGMYLNCYBSF-UHFFFAOYSA-N 0 0 302.334 0.849 10 0 DCAERN CCCn1ncnc1[C@H](C)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091693868 193092499 /nfs/dbraw/zinc/09/24/99/193092499.db2.gz STXLIBSSQRAHNL-NSHDSACASA-N 0 0 322.413 0.063 10 0 DCAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1-c1ccccc1 ZINC000091782172 193106956 /nfs/dbraw/zinc/10/69/56/193106956.db2.gz LLJOFXQEECCQIN-CQSZACIVSA-N 0 0 314.345 0.507 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000091783564 193107509 /nfs/dbraw/zinc/10/75/09/193107509.db2.gz GTHYXYWYYFJUER-NSHDSACASA-N 0 0 322.365 0.373 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1ccc(F)cc1 ZINC000091784159 193107846 /nfs/dbraw/zinc/10/78/46/193107846.db2.gz KBHKLAVGCAEUAG-CYBMUJFWSA-N 0 0 310.325 0.697 10 0 DCAERN CNC(=O)C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000455467781 240850054 /nfs/dbraw/zinc/85/00/54/240850054.db2.gz QJLKAHDQATUMPO-DGCLKSJQSA-N 0 0 318.377 0.616 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CSC(C)C ZINC000567538940 291360222 /nfs/dbraw/zinc/36/02/22/291360222.db2.gz GPTOLJHXWPKFIN-ZJUUUORDSA-N 0 0 304.412 0.701 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(CC)C2)C1 ZINC000459036568 241054543 /nfs/dbraw/zinc/05/45/43/241054543.db2.gz DQXQETYBWOBGJR-NEPJUHHUSA-N 0 0 310.398 0.307 10 0 DCAERN COc1cc(CC(=O)N2CC[C@H](NC(N)=O)C2)cc(OC)c1O ZINC000567611523 291364793 /nfs/dbraw/zinc/36/47/93/291364793.db2.gz PMIDCFXALYCMCM-JTQLQIEISA-N 0 0 323.349 0.221 10 0 DCAERN Cn1cc(C(=O)NCCCN2CCOCC2)c([C@H]2CCOC2)n1 ZINC000275307364 212262509 /nfs/dbraw/zinc/26/25/09/212262509.db2.gz NYNSBSSJIFEUCI-ZDUSSCGKSA-N 0 0 322.409 0.376 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CCCC(=O)N2)cn1 ZINC000275301214 212258394 /nfs/dbraw/zinc/25/83/94/212258394.db2.gz BUHBPVGLVCNXLD-YWPYICTPSA-N 0 0 319.361 0.705 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000185968579 291375418 /nfs/dbraw/zinc/37/54/18/291375418.db2.gz UADGCBMRGSEJQO-OAHLLOKOSA-N 0 0 322.409 0.581 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000187203715 261122945 /nfs/dbraw/zinc/12/29/45/261122945.db2.gz NQIDRTYZISXDAP-IUCAKERBSA-N 0 0 311.304 0.562 10 0 DCAERN Cc1ccn2c(CN3CC[C@@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531034 193265801 /nfs/dbraw/zinc/26/58/01/193265801.db2.gz UYXNCRGPBOJSCB-GFCCVEGCSA-N 0 0 308.407 0.766 10 0 DCAERN Cc1csc(NC(=O)CN2CCN(c3ncc[nH]3)CC2)n1 ZINC000569418907 291478286 /nfs/dbraw/zinc/47/82/86/291478286.db2.gz MAQUTBAUWUHULV-UHFFFAOYSA-N 0 0 306.395 0.935 10 0 DCAERN O=C(CSC[C@H](O)CO)Nc1ccc(Br)cn1 ZINC000093959214 193332466 /nfs/dbraw/zinc/33/24/66/193332466.db2.gz RWCGIAVROIZCFB-MRVPVSSYSA-N 0 0 321.196 0.869 10 0 DCAERN CCOc1ccc(CN(C)C(=O)CN2CCOCC2=O)cc1 ZINC000569540611 291483446 /nfs/dbraw/zinc/48/34/46/291483446.db2.gz GJFIIRRQMRYOHA-UHFFFAOYSA-N 0 0 306.362 0.903 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(=O)n2nccc2[nH]1 ZINC000191169628 284215494 /nfs/dbraw/zinc/21/54/94/284215494.db2.gz XEFKMUJXNGTTDI-GMXABZIVSA-N 0 0 316.361 0.796 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000264302059 203831170 /nfs/dbraw/zinc/83/11/70/203831170.db2.gz VEMUAJDVOYMMNA-VXGBXAGGSA-N 0 0 317.349 0.853 10 0 DCAERN CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000350185137 284242100 /nfs/dbraw/zinc/24/21/00/284242100.db2.gz UUBFJWDCKLJLBX-NWDGAFQWSA-N 0 0 302.396 0.033 10 0 DCAERN CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000264820194 204181250 /nfs/dbraw/zinc/18/12/50/204181250.db2.gz YTGLSDPWBUOVIX-AWEZNQCLSA-N 0 0 303.362 0.729 10 0 DCAERN CCNC(=S)N1CCNC(=O)[C@@H]1CC(=O)O[C@H](C)CC ZINC000009783608 181640710 /nfs/dbraw/zinc/64/07/10/181640710.db2.gz RGASKOAJMCBASO-ZJUUUORDSA-N 0 0 301.412 0.413 10 0 DCAERN C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CC(=O)N1C ZINC000282513823 217053649 /nfs/dbraw/zinc/05/36/49/217053649.db2.gz YHFGGXWDFRUGET-LLVKDONJSA-N 0 0 301.346 0.332 10 0 DCAERN CN1CC[C@H](NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1=O ZINC000571854866 291535816 /nfs/dbraw/zinc/53/58/16/291535816.db2.gz JZMWPKWJUOJRMO-LBPRGKRZSA-N 0 0 314.345 0.891 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000193488639 284309015 /nfs/dbraw/zinc/30/90/15/284309015.db2.gz OGZCFJCWOSJXKU-NSHDSACASA-N 0 0 321.230 0.685 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1C ZINC000282731687 217209350 /nfs/dbraw/zinc/20/93/50/217209350.db2.gz MJJGSHREVWZBLJ-SECBINFHSA-N 0 0 318.333 0.826 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cnn1 ZINC000282795466 217256066 /nfs/dbraw/zinc/25/60/66/217256066.db2.gz MLOQEAJDKLKNJW-CQSZACIVSA-N 0 0 304.394 0.969 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000266200503 205178914 /nfs/dbraw/zinc/17/89/14/205178914.db2.gz KMESFUOOFGNVNL-GFCCVEGCSA-N 0 0 314.411 0.705 10 0 DCAERN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179500081 296200560 /nfs/dbraw/zinc/20/05/60/296200560.db2.gz GRQZZOBBCVRYBR-MFKMUULPSA-N 0 0 312.391 0.710 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=S)cc1)N1CCNC(=O)C1 ZINC000019230509 182108949 /nfs/dbraw/zinc/10/89/49/182108949.db2.gz XZLRBQCQDLTYCA-SECBINFHSA-N 0 0 306.391 0.080 10 0 DCAERN O=C(NCCOCC1CCC1)c1cnc2c(c1)NC(=O)CO2 ZINC000573263064 291621120 /nfs/dbraw/zinc/62/11/20/291621120.db2.gz TWTZFPATNPBQQT-UHFFFAOYSA-N 0 0 305.334 0.959 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)Nc1nncs1 ZINC000248847183 291654015 /nfs/dbraw/zinc/65/40/15/291654015.db2.gz PJNWSXNUXFGLHO-QXEWZRGKSA-N 0 0 310.379 0.750 10 0 DCAERN CN1C(=O)C(=O)N(Cc2ccc(N)cc2Br)C1=O ZINC000037516042 182902841 /nfs/dbraw/zinc/90/28/41/182902841.db2.gz FGWXWZOMCVMOBL-UHFFFAOYSA-N 0 0 312.123 0.952 10 0 DCAERN COc1ccc(C(=O)N(CCO)CCO)cc1Br ZINC000037978487 182949611 /nfs/dbraw/zinc/94/96/11/182949611.db2.gz WHNRPMRYDYLUSS-UHFFFAOYSA-N 0 0 318.167 0.885 10 0 DCAERN CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796954 183022527 /nfs/dbraw/zinc/02/25/27/183022527.db2.gz YOKVEHGYYQEQOP-MNOVXSKESA-N 0 0 301.387 0.092 10 0 DCAERN CCCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278584 183249158 /nfs/dbraw/zinc/24/91/58/183249158.db2.gz WQTBRDSHCLPEFO-UHFFFAOYSA-N 0 0 310.372 0.552 10 0 DCAERN CN1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H](c2ccccc2)C1 ZINC000042848627 183314080 /nfs/dbraw/zinc/31/40/80/183314080.db2.gz JVIKOVARIHRIBV-OLZOCXBDSA-N 0 0 316.361 0.100 10 0 DCAERN N[C@H]1CCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000044243299 183399162 /nfs/dbraw/zinc/39/91/62/183399162.db2.gz GVDJOBHKLWJXIS-SECBINFHSA-N 0 0 306.185 0.913 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C1 ZINC000056100496 297361076 /nfs/dbraw/zinc/36/10/76/297361076.db2.gz OPLIGEKHFTVVEH-YVECIDJPSA-N 0 0 317.455 0.795 10 0 DCAERN O=C(NCCNC(=O)N1CCN(C2CC2)CC1)c1cccnc1 ZINC000105125586 194076928 /nfs/dbraw/zinc/07/69/28/194076928.db2.gz HKFGNYRKDFHRNQ-UHFFFAOYSA-N 0 0 317.393 0.301 10 0 DCAERN CN1CCO[C@H](CNC(=O)N(CCO)Cc2ccccc2)C1 ZINC000105282950 194093621 /nfs/dbraw/zinc/09/36/21/194093621.db2.gz FZGOCGRWFODNLG-OAHLLOKOSA-N 0 0 307.394 0.521 10 0 DCAERN COCCN1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000105832844 194139347 /nfs/dbraw/zinc/13/93/47/194139347.db2.gz VHFCHADJJKAJGP-KFWWJZLASA-N 0 0 313.442 0.275 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)CNC(=O)OC)CC2)cn1 ZINC000105830685 194139932 /nfs/dbraw/zinc/13/99/32/194139932.db2.gz HPTBIYATNJKQNA-UHFFFAOYSA-N 0 0 323.397 0.293 10 0 DCAERN CCNC(=O)NC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105800645 194131367 /nfs/dbraw/zinc/13/13/67/194131367.db2.gz FHFYMPUYCJTWLN-UHFFFAOYSA-N 0 0 320.397 0.143 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000105833418 194142652 /nfs/dbraw/zinc/14/26/52/194142652.db2.gz NAIDFQZMFYSDDI-KBPBESRZSA-N 0 0 301.431 0.180 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000106382467 194203974 /nfs/dbraw/zinc/20/39/74/194203974.db2.gz YHRGVJLVDBXEAR-LLVKDONJSA-N 0 0 304.437 0.825 10 0 DCAERN O=C(NCCn1c(=O)oc2ccccc21)N1CCNC(=O)CC1 ZINC000106565424 194231628 /nfs/dbraw/zinc/23/16/28/194231628.db2.gz KRZKKHSBFUBFNH-UHFFFAOYSA-N 0 0 318.333 0.126 10 0 DCAERN COc1ccc(C[C@H](C)NC(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000106692418 194244083 /nfs/dbraw/zinc/24/40/83/194244083.db2.gz HFXJQQBFARNFLZ-JQWIXIFHSA-N 0 0 306.362 0.887 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000109855590 194294018 /nfs/dbraw/zinc/29/40/18/194294018.db2.gz JRHFFNZLHDYGFO-LLVKDONJSA-N 0 0 318.381 0.612 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)c1=O ZINC000110445485 194331347 /nfs/dbraw/zinc/33/13/47/194331347.db2.gz RPZUKXMPZPRRGL-UONOGXRCSA-N 0 0 313.357 0.467 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)s1 ZINC000110942585 194372057 /nfs/dbraw/zinc/37/20/57/194372057.db2.gz VFLCEDRFBYUGKE-LLVKDONJSA-N 0 0 308.407 0.232 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1=O ZINC000111051942 194387516 /nfs/dbraw/zinc/38/75/16/194387516.db2.gz XBOJKMQWPGLHFJ-STQMWFEESA-N 0 0 301.346 0.800 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111076188 194389631 /nfs/dbraw/zinc/38/96/31/194389631.db2.gz AHVCZKOUOHOEEM-AWEZNQCLSA-N 0 0 314.345 0.523 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000328760983 296318702 /nfs/dbraw/zinc/31/87/02/296318702.db2.gz XPQSDTKKKUTMFI-JHJVBQTASA-N 0 0 315.439 0.849 10 0 DCAERN Cc1cc(C)c(CCNC(=O)C[C@@H]2NC(=O)NC2=O)c(C)c1 ZINC000058526842 184121264 /nfs/dbraw/zinc/12/12/64/184121264.db2.gz ONOFQEVPQMNHBU-ZDUSSCGKSA-N 0 0 303.362 0.869 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000286027521 218754859 /nfs/dbraw/zinc/75/48/59/218754859.db2.gz RHYLZKADIMCZHQ-RHSMWYFYSA-N 0 0 318.373 1.000 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@](C)(COC)C(F)(F)F ZINC000362201522 262008826 /nfs/dbraw/zinc/00/88/26/262008826.db2.gz GZPHMSSPGXOBMN-SECBINFHSA-N 0 0 305.318 0.895 10 0 DCAERN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCn2ccnc2C1 ZINC000062329199 184231004 /nfs/dbraw/zinc/23/10/04/184231004.db2.gz YPPPVOJGKVRXFZ-UHFFFAOYSA-N 0 0 300.365 0.146 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)Nc1ccc(CCO)cc1 ZINC000063143419 184273737 /nfs/dbraw/zinc/27/37/37/184273737.db2.gz UYLHLEAMKUWYRS-UHFFFAOYSA-N 0 0 307.393 0.008 10 0 DCAERN Cn1nc2ccc(S(=O)(=O)N3CCCCCC3)cn2c1=O ZINC000065198742 184314360 /nfs/dbraw/zinc/31/43/60/184314360.db2.gz RGLJSDVUVXQKGS-UHFFFAOYSA-N 0 0 310.379 0.598 10 0 DCAERN CC(C)CCSCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116830697 194774978 /nfs/dbraw/zinc/77/49/78/194774978.db2.gz JGYGRVGUHWQMLO-NSHDSACASA-N 0 0 308.469 0.916 10 0 DCAERN CCOc1ccc(C(C)=O)cc1CN1CCOC[C@@H]1C(N)=O ZINC000179735889 252611433 /nfs/dbraw/zinc/61/14/33/252611433.db2.gz UJCHCUPINCQZRE-CQSZACIVSA-N 0 0 306.362 0.974 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)sc1C ZINC000333103737 252680773 /nfs/dbraw/zinc/68/07/73/252680773.db2.gz DESMPPJMGIXALH-VIFPVBQESA-N 0 0 316.408 0.158 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)NC2CCOCC2)C1 ZINC000333257100 252698425 /nfs/dbraw/zinc/69/84/25/252698425.db2.gz ZNDJXJOUWOMNGD-CYBMUJFWSA-N 0 0 307.398 0.867 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCO[C@@H](C2CCC2)C1 ZINC000334049520 252788183 /nfs/dbraw/zinc/78/81/83/252788183.db2.gz RHBMZSUFDWVSHO-BFHYXJOUSA-N 0 0 321.381 0.429 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(CSC[C@@H](O)CO)cc1 ZINC000336807413 252795367 /nfs/dbraw/zinc/79/53/67/252795367.db2.gz JSWZFVPNHVGRTK-NSHDSACASA-N 0 0 305.421 0.523 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)CNC(=O)c2cccnc2)n1 ZINC000187516147 533013853 /nfs/dbraw/zinc/01/38/53/533013853.db2.gz FMOAHSVQJSNWLN-NSHDSACASA-N 0 0 317.349 0.854 10 0 DCAERN CC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000339741796 253136853 /nfs/dbraw/zinc/13/68/53/253136853.db2.gz AAYCVOLEBVEGOL-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN Cn1cnc(CNC(=O)c2ncsc2Br)n1 ZINC000343037439 253584844 /nfs/dbraw/zinc/58/48/44/253584844.db2.gz GSSJOHYVMNRLSZ-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000344650105 253811886 /nfs/dbraw/zinc/81/18/86/253811886.db2.gz OHLPXUSHABNHRN-KKUMJFAQSA-N 0 0 324.421 0.897 10 0 DCAERN COCCOc1ccc(C(=O)N2C[C@@H](F)C[C@@H]2C(N)=O)cc1 ZINC000347226566 254140061 /nfs/dbraw/zinc/14/00/61/254140061.db2.gz GNTXJQMHPOEPQA-WCQYABFASA-N 0 0 310.325 0.750 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000134694083 296395111 /nfs/dbraw/zinc/39/51/11/296395111.db2.gz DYTDOCONRWFGMI-CYBMUJFWSA-N 0 0 318.439 0.845 10 0 DCAERN C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350621130 254320000 /nfs/dbraw/zinc/32/00/00/254320000.db2.gz PZSPOVPZGVANCZ-IUCAKERBSA-N 0 0 304.343 0.386 10 0 DCAERN C[C@H](CNC(=O)c1cc(-c2cccs2)on1)S(N)(=O)=O ZINC000350627038 254320689 /nfs/dbraw/zinc/32/06/89/254320689.db2.gz CEFMGKBOGVOZHQ-SSDOTTSWSA-N 0 0 315.376 0.810 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1CO ZINC000408383156 296397300 /nfs/dbraw/zinc/39/73/00/296397300.db2.gz GVEHWWWYJNKGJU-SCZZXKLOSA-N 0 0 307.803 0.855 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000352090946 254397311 /nfs/dbraw/zinc/39/73/11/254397311.db2.gz FZCSUIUFOOTRGO-LBPRGKRZSA-N 0 0 303.353 0.797 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)C1 ZINC000253350446 285265936 /nfs/dbraw/zinc/26/59/36/285265936.db2.gz JGJPTRBSWFIANI-STQMWFEESA-N 0 0 317.455 0.547 10 0 DCAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cn1 ZINC000248158305 257107731 /nfs/dbraw/zinc/10/77/31/257107731.db2.gz WOHWDFQTKIEJKL-NEPJUHHUSA-N 0 0 310.379 0.092 10 0 DCAERN CC(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)c3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248144332 257108263 /nfs/dbraw/zinc/10/82/63/257108263.db2.gz RHSKVNGUASIHGF-GDBMZVCRSA-N 0 0 320.393 0.565 10 0 DCAERN CN1C[C@@H]2CCN(C(=O)c3cccnc3)CC[C@@H]2S1(=O)=O ZINC000248103623 257109911 /nfs/dbraw/zinc/10/99/11/257109911.db2.gz FLPVRXRLJVULAE-STQMWFEESA-N 0 0 309.391 0.578 10 0 DCAERN Cc1nnc(C[C@@H]2C[C@@H]3CN(C(=O)c4ccnnc4)C[C@@H]3O2)o1 ZINC000248037660 257110368 /nfs/dbraw/zinc/11/03/68/257110368.db2.gz RMKRSUCJDZFJAD-AGIUHOORSA-N 0 0 315.333 0.640 10 0 DCAERN Cn1nnc2c1[C@@H](COCC1CC1)CN(C(=O)[C@@H]1CCCO1)C2 ZINC000248060260 257110675 /nfs/dbraw/zinc/11/06/75/257110675.db2.gz PXBMZDOMLGDFCT-OCCSQVGLSA-N 0 0 320.393 0.847 10 0 DCAERN CN(C)C(=O)CN1CC[C@@H]2[C@H]1CCC(=O)N2c1cccnc1 ZINC000248001602 257111798 /nfs/dbraw/zinc/11/17/98/257111798.db2.gz NSAOLACGBKDBJK-ZIAGYGMSSA-N 0 0 302.378 0.740 10 0 DCAERN CN(C)C(=O)COC[C@]12CCC[C@H]1CN(S(C)(=O)=O)C2 ZINC000247967381 257113493 /nfs/dbraw/zinc/11/34/93/257113493.db2.gz GUPIZIWYRBOETR-WCQYABFASA-N 0 0 304.412 0.153 10 0 DCAERN O=C([C@@H]1CN(c2ncccn2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247800459 257117303 /nfs/dbraw/zinc/11/73/03/257117303.db2.gz VFTCIBALJDPLOE-UPJWGTAASA-N 0 0 304.350 0.482 10 0 DCAERN Fc1cnc(N2CCO[C@H]3[C@H]2CC[C@H]3Cn2cnnc2)nc1 ZINC000503717792 257210243 /nfs/dbraw/zinc/21/02/43/257210243.db2.gz OTEJNBSEJNEYLA-CYZMBNFOSA-N 0 0 304.329 0.891 10 0 DCAERN CCCC(O)(CCC)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132665138 545795587 /nfs/dbraw/zinc/79/55/87/545795587.db2.gz HDURGONDMNCHKE-AWEZNQCLSA-N 0 0 316.442 0.517 10 0 DCAERN Cc1cc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)nn1C ZINC000123124697 291953504 /nfs/dbraw/zinc/95/35/04/291953504.db2.gz SFPCRFPEKDCNPH-UHFFFAOYSA-N 0 0 300.384 0.769 10 0 DCAERN COc1ccc(CNC(=O)CN2CC[C@@H](C)C[C@H]2C(N)=O)cc1 ZINC000187423947 533581719 /nfs/dbraw/zinc/58/17/19/533581719.db2.gz RKPLOIQOCUIXDW-DOMZBBRYSA-N 0 0 319.405 0.897 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)C[C@H]1C ZINC000407957249 291979318 /nfs/dbraw/zinc/97/93/18/291979318.db2.gz YMRCTSIJERYZOE-DZHLUBAWSA-N 0 0 311.382 0.494 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000278548950 130701141 /nfs/dbraw/zinc/70/11/41/130701141.db2.gz ICOPTPKJTPLOFX-UONOGXRCSA-N 0 0 320.393 0.369 10 0 DCAERN CCN1c2ccc(C)cc2[C@@]2(NC(=O)[C@H]3COCCN32)C1=O ZINC000093884565 285471781 /nfs/dbraw/zinc/47/17/81/285471781.db2.gz VRHFYTZJYPJEPE-CJNGLKHVSA-N 0 0 301.346 0.345 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)ccn1 ZINC000283954508 131036156 /nfs/dbraw/zinc/03/61/56/131036156.db2.gz KHFWWYPAXKAWDT-UONOGXRCSA-N 0 0 320.393 0.705 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000283972276 131037843 /nfs/dbraw/zinc/03/78/43/131037843.db2.gz GZBSCXYQLGIYEV-HUUCEWRRSA-N 0 0 317.389 0.591 10 0 DCAERN COc1cnc(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)nc1 ZINC000284001652 131040287 /nfs/dbraw/zinc/04/02/87/131040287.db2.gz NHZMILKTQQEZPC-VIFPVBQESA-N 0 0 305.338 0.618 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278615 131065616 /nfs/dbraw/zinc/06/56/16/131065616.db2.gz YRUQUDFBLHBILP-CHWSQXEVSA-N 0 0 321.377 0.331 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000284490940 131085472 /nfs/dbraw/zinc/08/54/72/131085472.db2.gz GFGAQOKLWPVMHZ-GJZGRUSLSA-N 0 0 300.362 0.947 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284485996 131085792 /nfs/dbraw/zinc/08/57/92/131085792.db2.gz MRTJSUJOHUXWMK-GJZGRUSLSA-N 0 0 314.389 0.808 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)C[C@H]1C(N)=O ZINC000284504227 131087003 /nfs/dbraw/zinc/08/70/03/131087003.db2.gz DPKCZWAUCJCQKS-DGCLKSJQSA-N 0 0 313.361 0.525 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284581913 131094326 /nfs/dbraw/zinc/09/43/26/131094326.db2.gz GLJFKSMSOOVGBQ-YPMHNXCESA-N 0 0 321.377 0.877 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000284658693 131101732 /nfs/dbraw/zinc/10/17/32/131101732.db2.gz GUQLXNLSFZPJSM-GFCCVEGCSA-N 0 0 318.782 0.341 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000284662089 131102193 /nfs/dbraw/zinc/10/21/93/131102193.db2.gz GEUAOJMTUAVTHM-WDEREUQCSA-N 0 0 303.322 0.822 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@H]1C(N)=O ZINC000284702635 131105786 /nfs/dbraw/zinc/10/57/86/131105786.db2.gz JZEXJUNZAADRKS-HTRCEHHLSA-N 0 0 322.308 0.846 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCN(C)[C@@H](c3nc(C)no3)C2)n1 ZINC000284966843 131127449 /nfs/dbraw/zinc/12/74/49/131127449.db2.gz RQQOALOIMHDIAB-GFCCVEGCSA-N 0 0 318.381 0.925 10 0 DCAERN O=C(COc1ccccc1F)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285017906 131131673 /nfs/dbraw/zinc/13/16/73/131131673.db2.gz HGSBROUCRDEDCF-NWDGAFQWSA-N 0 0 306.297 0.552 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H]1C(N)=O ZINC000285024903 131131968 /nfs/dbraw/zinc/13/19/68/131131968.db2.gz ZZUCXJPWWKDJLJ-PSASIEDQSA-N 0 0 319.386 0.924 10 0 DCAERN O=C(NC[C@@H]1CC=CCC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000285349673 131159748 /nfs/dbraw/zinc/15/97/48/131159748.db2.gz GKQHYAYJMCRFJY-CJNGLKHVSA-N 0 0 308.378 0.477 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)COc2cccc3c2CCC3=O)C1 ZINC000120914607 132147207 /nfs/dbraw/zinc/14/72/07/132147207.db2.gz LYKUAHFTIFVSSY-LLVKDONJSA-N 0 0 316.357 0.918 10 0 DCAERN C[C@@H](C(=O)NCCC1=CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122418516 132166148 /nfs/dbraw/zinc/16/61/48/132166148.db2.gz LNOPSXSJBHREGM-IPYPFGDCSA-N 0 0 323.437 0.956 10 0 DCAERN NC(=[NH2+])c1ccc(NC(=O)CCC(=O)NCCC(=O)[O-])cc1 ZINC000013741885 395688963 /nfs/dbraw/zinc/68/89/63/395688963.db2.gz FIZIWGCNYYRIRS-UHFFFAOYSA-N 0 0 306.322 0.280 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1=O ZINC000014037569 395689157 /nfs/dbraw/zinc/68/91/57/395689157.db2.gz UHZZRKXPBNOWEL-ZDUSSCGKSA-N 0 0 317.389 0.860 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000020943097 395691410 /nfs/dbraw/zinc/69/14/10/395691410.db2.gz FDHBTQHNDMRAPE-GHMZBOCLSA-N 0 0 321.343 0.985 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(CC(=O)NC(C)C)CC1 ZINC000023250217 395692383 /nfs/dbraw/zinc/69/23/83/395692383.db2.gz VHDMFOLWQLXBCW-UHFFFAOYSA-N 0 0 312.458 0.433 10 0 DCAERN OC[C@H]1O[C@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@H]1O ZINC000001464252 395680863 /nfs/dbraw/zinc/68/08/63/395680863.db2.gz CVAOQMBKGUKOIZ-LEOABGAYSA-N 0 0 306.314 0.019 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[C@H](O)C1 ZINC000085381146 395700237 /nfs/dbraw/zinc/70/02/37/395700237.db2.gz BLYDXSKIJWJLQG-ZANVPECISA-N 0 0 310.300 0.911 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(-c2ccccc2)n1 ZINC000089333061 395710116 /nfs/dbraw/zinc/71/01/16/395710116.db2.gz XCGMRQISNJOGHB-LBPRGKRZSA-N 0 0 312.329 0.622 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000089415758 395711220 /nfs/dbraw/zinc/71/12/20/395711220.db2.gz ZPTZGDPGZGWALU-SCZZXKLOSA-N 0 0 318.420 0.499 10 0 DCAERN C[C@H]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H]1O ZINC000089411391 395711395 /nfs/dbraw/zinc/71/13/95/395711395.db2.gz HXBWGKCOSLPSMA-GXSJLCMTSA-N 0 0 316.379 0.373 10 0 DCAERN C[C@@H]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H]1O ZINC000089411389 395711441 /nfs/dbraw/zinc/71/14/41/395711441.db2.gz HXBWGKCOSLPSMA-MWLCHTKSSA-N 0 0 316.379 0.373 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)C[C@H]1O ZINC000089426802 395711648 /nfs/dbraw/zinc/71/16/48/395711648.db2.gz YASIHYGMAVHUQX-BXUZGUMPSA-N 0 0 303.362 0.569 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)o1 ZINC000089427142 395711771 /nfs/dbraw/zinc/71/17/71/395711771.db2.gz PVHRIYJOYLVARD-DTWKUNHWSA-N 0 0 302.352 0.031 10 0 DCAERN CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000089741289 395714508 /nfs/dbraw/zinc/71/45/08/395714508.db2.gz RPRZQOAHHLTUMO-CHWSQXEVSA-N 0 0 319.409 0.514 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)c1c(C)c(C)nn(C)c1=O ZINC000089880608 395715765 /nfs/dbraw/zinc/71/57/65/395715765.db2.gz GZRFGUCDGCDBJC-VIFPVBQESA-N 0 0 309.366 0.859 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1 ZINC000035117453 395719034 /nfs/dbraw/zinc/71/90/34/395719034.db2.gz GHPROIUMWBGKNP-UHFFFAOYSA-N 0 0 312.391 0.628 10 0 DCAERN CCOC(=O)[C@@H](CC)S(=O)(=O)Cc1nnc(CC)n1C ZINC000090989473 395720064 /nfs/dbraw/zinc/72/00/64/395720064.db2.gz DXAZWSAIJYLNGJ-SECBINFHSA-N 0 0 303.384 0.634 10 0 DCAERN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000027905288 395695388 /nfs/dbraw/zinc/69/53/88/395695388.db2.gz JXAVVRWLUUFSBI-MWLCHTKSSA-N 0 0 304.350 0.867 10 0 DCAERN COC(=O)c1ccc(CC[C@@H](C=O)OS(C)(=O)=O)cc1 ZINC000039156348 395732542 /nfs/dbraw/zinc/73/25/42/395732542.db2.gz HQQHGGIRCZOVCH-LBPRGKRZSA-N 0 0 300.332 0.950 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)OC)C2)c1 ZINC000095016541 395740615 /nfs/dbraw/zinc/74/06/15/395740615.db2.gz XHKUHDBSJRDWRH-NXEZZACHSA-N 0 0 301.368 0.333 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000040792132 395734811 /nfs/dbraw/zinc/73/48/11/395734811.db2.gz VPIVWWBZSKRRCL-STQMWFEESA-N 0 0 320.455 0.714 10 0 DCAERN CC(C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 ZINC000093351668 395738576 /nfs/dbraw/zinc/73/85/76/395738576.db2.gz AGEBXROIOROZGV-ILXRZTDVSA-N 0 0 313.442 0.756 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000042631742 395746796 /nfs/dbraw/zinc/74/67/96/395746796.db2.gz JXEKEPSOKBBSTI-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000042631971 395747011 /nfs/dbraw/zinc/74/70/11/395747011.db2.gz QBRBVERGYPHUCB-AOOOYVTPSA-N 0 0 319.452 0.938 10 0 DCAERN C[C@H]1O[C@@H](n2cc(Cl)c(N)nc2=O)[C@@H]2OC(C)(C)O[C@H]12 ZINC000044019761 395755227 /nfs/dbraw/zinc/75/52/27/395755227.db2.gz IXWKHHKVSDMPMQ-VPCXQMTMSA-N 0 0 301.730 0.916 10 0 DCAERN C[C@H](NC(=O)Nc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000097308319 395756949 /nfs/dbraw/zinc/75/69/49/395756949.db2.gz CTDGXOXWQVGUHL-VIFPVBQESA-N 0 0 323.378 0.950 10 0 DCAERN CCc1nc(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)cs1 ZINC000193907827 395781686 /nfs/dbraw/zinc/78/16/86/395781686.db2.gz QMBKXAZZSFAWLB-MRVPVSSYSA-N 0 0 305.425 0.602 10 0 DCAERN COCCN(Cc1ccc(F)cc1C(=O)OC)[C@@H](C)C(N)=O ZINC000106312627 395781692 /nfs/dbraw/zinc/78/16/92/395781692.db2.gz CCDKMONVZGRWIH-JTQLQIEISA-N 0 0 312.341 0.935 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCCN(C)C(=O)C2)c(Cl)n1 ZINC000193993565 395784745 /nfs/dbraw/zinc/78/47/45/395784745.db2.gz IFDOMRFAZYEOEV-UHFFFAOYSA-N 0 0 317.798 0.896 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000194020944 395785545 /nfs/dbraw/zinc/78/55/45/395785545.db2.gz XUMQCSRMRXTRNJ-NWDGAFQWSA-N 0 0 308.378 0.928 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCOc2ccccc21 ZINC000270596280 395787719 /nfs/dbraw/zinc/78/77/19/395787719.db2.gz NGLFNAFRQBCIKJ-QWRGUYRKSA-N 0 0 303.318 0.615 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NCCCN2C(=O)CNC2=O)n1 ZINC000108281326 395787981 /nfs/dbraw/zinc/78/79/81/395787981.db2.gz NLTTVUZGGCSLMV-LLVKDONJSA-N 0 0 307.354 0.119 10 0 DCAERN COC(=O)c1cc(S(N)(=O)=O)c(Br)cc1OC ZINC000098095621 395762199 /nfs/dbraw/zinc/76/21/99/395762199.db2.gz YLMYKTNVIPVWKR-UHFFFAOYSA-N 0 0 324.152 0.892 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)n1 ZINC000270607508 395788993 /nfs/dbraw/zinc/78/89/93/395788993.db2.gz BYXUXEPEDRCVEC-NWDGAFQWSA-N 0 0 321.381 0.494 10 0 DCAERN C[C@H](NC(=O)NCCNC(=O)c1ccccc1)C(=O)N(C)C ZINC000045540272 395763727 /nfs/dbraw/zinc/76/37/27/395763727.db2.gz KBHZQUXIPFCLEU-NSHDSACASA-N 0 0 306.366 0.192 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000111229565 395803391 /nfs/dbraw/zinc/80/33/91/395803391.db2.gz CWJNNXLNHWGZDS-AWEZNQCLSA-N 0 0 322.409 0.850 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(C)CCO2)cc1C ZINC000194749973 395806564 /nfs/dbraw/zinc/80/65/64/395806564.db2.gz XLXIODNYYVXYES-OAHLLOKOSA-N 0 0 319.405 0.480 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@H]2COc3ccccc32)CC1=O ZINC000194876059 395810595 /nfs/dbraw/zinc/81/05/95/395810595.db2.gz KUJZCADGXQGXCT-YPMHNXCESA-N 0 0 304.346 0.731 10 0 DCAERN O=C(NCCc1ccccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111787814 395813388 /nfs/dbraw/zinc/81/33/88/395813388.db2.gz XTUZGLILHJBXNH-HNNXBMFYSA-N 0 0 315.377 0.931 10 0 DCAERN COCCN(C[C@H](O)CN1CCOCC1)CC(F)(F)F ZINC000112408588 395818145 /nfs/dbraw/zinc/81/81/45/395818145.db2.gz YYFZQJGCLZISRJ-LLVKDONJSA-N 0 0 300.321 0.190 10 0 DCAERN CC1(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)COC1 ZINC000112618926 395819648 /nfs/dbraw/zinc/81/96/48/395819648.db2.gz CDSWARYJQBCXIY-UHFFFAOYSA-N 0 0 324.402 0.993 10 0 DCAERN CC(C)c1noc(CCC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000112651081 395820636 /nfs/dbraw/zinc/82/06/36/395820636.db2.gz KNCPOMQIYOQWPU-JTQLQIEISA-N 0 0 304.354 0.848 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000112650953 395820780 /nfs/dbraw/zinc/82/07/80/395820780.db2.gz UWMORWSFUTVXGD-JSGCOSHPSA-N 0 0 311.345 0.902 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)sc2C)CCO1 ZINC000112674334 395821295 /nfs/dbraw/zinc/82/12/95/395821295.db2.gz OFOUCWIFXDAFOB-JTQLQIEISA-N 0 0 319.404 0.927 10 0 DCAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000048699885 395822298 /nfs/dbraw/zinc/82/22/98/395822298.db2.gz KTZFJPBTISFNIN-JTQLQIEISA-N 0 0 302.338 0.762 10 0 DCAERN CC(C)[C@H](C)NC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195429210 395826398 /nfs/dbraw/zinc/82/63/98/395826398.db2.gz HDLUMZKEOLGOQT-JTQLQIEISA-N 0 0 317.415 0.330 10 0 DCAERN CCN(CC)C(=O)CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195430146 395826743 /nfs/dbraw/zinc/82/67/43/395826743.db2.gz VJNWKNOPOHVHHX-UHFFFAOYSA-N 0 0 323.445 0.240 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000195453951 395827448 /nfs/dbraw/zinc/82/74/48/395827448.db2.gz KFMXDODRPBYARX-SECBINFHSA-N 0 0 302.400 0.537 10 0 DCAERN C[C@H](CNC(=O)COc1cccc(C=O)c1)N1CCOCC1 ZINC000113147282 395827937 /nfs/dbraw/zinc/82/79/37/395827937.db2.gz PTCDJNWWVTWBCZ-CYBMUJFWSA-N 0 0 306.362 0.715 10 0 DCAERN CCN(C(=O)NCc1ccnn1C)[C@@H](C)CS(=O)(=O)CC ZINC000113373821 395829837 /nfs/dbraw/zinc/82/98/37/395829837.db2.gz GOXFGDPASFDMCP-NSHDSACASA-N 0 0 316.427 0.775 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195503289 395829998 /nfs/dbraw/zinc/82/99/98/395829998.db2.gz VIXSZICWXPXECS-LLVKDONJSA-N 0 0 307.398 0.834 10 0 DCAERN C[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc2c(c1)OCO2 ZINC000213540917 395836015 /nfs/dbraw/zinc/83/60/15/395836015.db2.gz JCPDYASVEVCDCM-VIFPVBQESA-N 0 0 319.317 0.534 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C(=O)NC3CC3)CC2)cs1 ZINC000115372253 395839492 /nfs/dbraw/zinc/83/94/92/395839492.db2.gz UUYKBKZWOXWGAD-UHFFFAOYSA-N 0 0 322.434 0.764 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115408 395860466 /nfs/dbraw/zinc/86/04/66/395860466.db2.gz ROBGTABVCLNIEV-CQSZACIVSA-N 0 0 305.378 0.689 10 0 DCAERN COc1ccnc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000116198708 395842419 /nfs/dbraw/zinc/84/24/19/395842419.db2.gz HFELPEXMAPOXBN-CYBMUJFWSA-N 0 0 302.334 0.828 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000051118346 395845327 /nfs/dbraw/zinc/84/53/27/395845327.db2.gz XPIGNVCZCMMNLV-CHWSQXEVSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833717 395847056 /nfs/dbraw/zinc/84/70/56/395847056.db2.gz JGENDUKCTAGWKF-RYUDHWBXSA-N 0 0 312.391 0.604 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncc(Br)cn2)C1 ZINC000116872932 395847729 /nfs/dbraw/zinc/84/77/29/395847729.db2.gz PFXJORYEVDBYSU-MRVPVSSYSA-N 0 0 321.200 0.367 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000271225393 395848650 /nfs/dbraw/zinc/84/86/50/395848650.db2.gz OMGGCEDUPHOXPA-CMPLNLGQSA-N 0 0 317.349 0.455 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000116889599 395848726 /nfs/dbraw/zinc/84/87/26/395848726.db2.gz ONYYQIVRCOHEDU-GFCCVEGCSA-N 0 0 312.391 0.581 10 0 DCAERN CCc1ccc(O)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116982207 395850421 /nfs/dbraw/zinc/85/04/21/395850421.db2.gz LHOAUAOLGMSRKA-NSHDSACASA-N 0 0 312.391 0.718 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccnc2OC)C[C@@H]1C ZINC000117476684 395852869 /nfs/dbraw/zinc/85/28/69/395852869.db2.gz XACYXRHVVOQXGN-ZDUSSCGKSA-N 0 0 322.409 0.952 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2ccnc2)C[C@H]1C ZINC000117467470 395853158 /nfs/dbraw/zinc/85/31/58/395853158.db2.gz FFMNQRDCVJQFAR-CQSZACIVSA-N 0 0 309.414 0.635 10 0 DCAERN O=C(c1cccc(Br)n1)N1CCO[C@@H](CO)C1 ZINC000224099546 395857035 /nfs/dbraw/zinc/85/70/35/395857035.db2.gz HAWKIUTVHGQCCC-MRVPVSSYSA-N 0 0 301.140 0.677 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)no2)c1 ZINC000194291312 395792736 /nfs/dbraw/zinc/79/27/36/395792736.db2.gz GRULPTPZXPRSBN-GWCFXTLKSA-N 0 0 317.349 0.482 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NC1(CO)CCC1 ZINC000194603377 395800466 /nfs/dbraw/zinc/80/04/66/395800466.db2.gz GYTQCJKXDTURMX-JTQLQIEISA-N 0 0 306.366 0.824 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCCCCO ZINC000234607871 395889288 /nfs/dbraw/zinc/88/92/88/395889288.db2.gz UBFVRMURKRXRJY-UHFFFAOYSA-N 0 0 305.352 0.734 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000055291428 395916339 /nfs/dbraw/zinc/91/63/39/395916339.db2.gz VSZMXRDIRLTDLR-QWRGUYRKSA-N 0 0 321.443 0.187 10 0 DCAERN OC[C@H]1CCN(c2ncc(I)cn2)C1 ZINC000128009612 395916706 /nfs/dbraw/zinc/91/67/06/395916706.db2.gz GRMIBSSEWCQNNB-ZETCQYMHSA-N 0 0 305.119 0.900 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1=O ZINC000273414731 395919984 /nfs/dbraw/zinc/91/99/84/395919984.db2.gz CRLCYHLZIPTADE-GHMZBOCLSA-N 0 0 309.366 0.355 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)Cc2cccc(F)c2)no1 ZINC000118647824 395862899 /nfs/dbraw/zinc/86/28/99/395862899.db2.gz XONWBSSNHLNDFG-UHFFFAOYSA-N 0 0 306.297 0.492 10 0 DCAERN Cn1cc(CCC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000118670565 395863161 /nfs/dbraw/zinc/86/31/61/395863161.db2.gz KACIIVAMSAYTNT-CQSZACIVSA-N 0 0 314.393 0.928 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC000134492331 395931316 /nfs/dbraw/zinc/93/13/16/395931316.db2.gz FDYILWCSKUBZCA-BXKDBHETSA-N 0 0 304.350 0.482 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NC)c1 ZINC000119256074 395868669 /nfs/dbraw/zinc/86/86/69/395868669.db2.gz WJAFZVMQFHLRFX-ZDUSSCGKSA-N 0 0 324.402 0.831 10 0 DCAERN CCS[C@H](C(=O)NC[C@H](O)CN1CCOCC1)C(C)C ZINC000133075841 395928182 /nfs/dbraw/zinc/92/81/82/395928182.db2.gz WQDWYAQVZCKEBG-STQMWFEESA-N 0 0 304.456 0.573 10 0 DCAERN COC(=O)[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1 ZINC000119797914 395876007 /nfs/dbraw/zinc/87/60/07/395876007.db2.gz MJWVBGGYIFOJCT-PSLIRLAXSA-N 0 0 308.334 0.856 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(=O)[nH]c1=O ZINC000273607586 395932990 /nfs/dbraw/zinc/93/29/90/395932990.db2.gz OMJFVXKSDPFAGL-WDEREUQCSA-N 0 0 309.366 0.355 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000056863669 395934556 /nfs/dbraw/zinc/93/45/56/395934556.db2.gz BTJZYNVAAXEKKZ-STQMWFEESA-N 0 0 314.430 0.311 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245766581 395936030 /nfs/dbraw/zinc/93/60/30/395936030.db2.gz FYSHBNDSUWYCQC-ZLKJLUDKSA-N 0 0 313.361 0.741 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245766577 395936170 /nfs/dbraw/zinc/93/61/70/395936170.db2.gz FYSHBNDSUWYCQC-LERXQTSPSA-N 0 0 313.361 0.741 10 0 DCAERN Cc1cccnc1[C@@H](NC(=O)CN1CC(=O)NC1=O)C(C)C ZINC000134964133 395936593 /nfs/dbraw/zinc/93/65/93/395936593.db2.gz DAEKNALCHSLHNS-ZDUSSCGKSA-N 0 0 304.350 0.755 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@H]1C ZINC000135094423 395936852 /nfs/dbraw/zinc/93/68/52/395936852.db2.gz ZLVMKAYSQZHIGJ-CYBMUJFWSA-N 0 0 322.409 0.655 10 0 DCAERN CS(=O)(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000135071009 395937501 /nfs/dbraw/zinc/93/75/01/395937501.db2.gz FTXURKOEAGQXAF-UHFFFAOYSA-N 0 0 320.211 0.562 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nn[nH]n1 ZINC000135467210 395940608 /nfs/dbraw/zinc/94/06/08/395940608.db2.gz ZBTSOSWOIOTNJA-ONGXEEELSA-N 0 0 302.338 0.983 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)N1CCc2ccccc21 ZINC000135563012 395941524 /nfs/dbraw/zinc/94/15/24/395941524.db2.gz GESUDJVIOIVXIV-FZMZJTMJSA-N 0 0 324.402 0.673 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@@H](O)Cc1ccccc1 ZINC000152054519 395999205 /nfs/dbraw/zinc/99/92/05/395999205.db2.gz MWJJGHPVFPPMGK-HNNXBMFYSA-N 0 0 313.357 0.531 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)CSc2ccccc2Cl)C1 ZINC000276455092 395999280 /nfs/dbraw/zinc/99/92/80/395999280.db2.gz HMRWGEJHSYEDAD-ZDUSSCGKSA-N 0 0 314.794 0.881 10 0 DCAERN CN(C)c1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cn1 ZINC000274431189 395947661 /nfs/dbraw/zinc/94/76/61/395947661.db2.gz RZJGXTBMOYQFTR-MRXNPFEDSA-N 0 0 320.393 0.849 10 0 DCAERN C[C@@H](CNC(=O)N(C)CCCn1ccnc1)N1CCOCC1 ZINC000137072784 395950129 /nfs/dbraw/zinc/95/01/29/395950129.db2.gz XRANKJFRLUDJQN-AWEZNQCLSA-N 0 0 309.414 0.635 10 0 DCAERN CC[C@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1C[C@H](C)O ZINC000246824345 395958739 /nfs/dbraw/zinc/95/87/39/395958739.db2.gz LKVSMXSJMLLADC-AAEUAGOBSA-N 0 0 324.425 0.654 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)OC[C@H]3C)nc2n1 ZINC000059251468 395959215 /nfs/dbraw/zinc/95/92/15/395959215.db2.gz SSIOBHJAYUIUBC-VXGBXAGGSA-N 0 0 303.366 0.919 10 0 DCAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCO[C@]2(CCOC2)C1 ZINC000274619959 395961812 /nfs/dbraw/zinc/96/18/12/395961812.db2.gz FPJHLTYEPZQPRP-IUODEOHRSA-N 0 0 306.366 0.988 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246977115 395962598 /nfs/dbraw/zinc/96/25/98/395962598.db2.gz JKYYWHQUPDQQDU-OLZOCXBDSA-N 0 0 306.428 0.436 10 0 DCAERN CCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@H]1C ZINC000247032052 395964762 /nfs/dbraw/zinc/96/47/62/395964762.db2.gz DGPGBCYDVPIXPT-GFCCVEGCSA-N 0 0 310.398 0.964 10 0 DCAERN C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000247022737 395964786 /nfs/dbraw/zinc/96/47/86/395964786.db2.gz SBZLJZTZSCZUQF-STQMWFEESA-N 0 0 308.426 0.923 10 0 DCAERN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)NCC[C@@H]12 ZINC000146943495 395965545 /nfs/dbraw/zinc/96/55/45/395965545.db2.gz PXSGENNEQDCLDS-GXTWGEPZSA-N 0 0 317.345 0.939 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000247117878 395967202 /nfs/dbraw/zinc/96/72/02/395967202.db2.gz NUQYHIQWYRYLOQ-KGLIPLIRSA-N 0 0 320.455 0.538 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NCCN1CCCC[C@H]1C ZINC000247154647 395967400 /nfs/dbraw/zinc/96/74/00/395967400.db2.gz KFJITRCSFGXMOX-QWHCGFSZSA-N 0 0 319.471 0.983 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000247243869 395970040 /nfs/dbraw/zinc/97/00/40/395970040.db2.gz YFVCMFRXGYYCDH-BPUTZDHNSA-N 0 0 323.437 0.424 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCCN1CCCC[C@@H]1C ZINC000247309542 395971397 /nfs/dbraw/zinc/97/13/97/395971397.db2.gz NYQXHKXCAUSVTB-NEPJUHHUSA-N 0 0 305.444 0.593 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247427187 395973588 /nfs/dbraw/zinc/97/35/88/395973588.db2.gz NNMOOWILMMIMQA-OUCADQQQSA-N 0 0 303.362 0.885 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247478335 395973860 /nfs/dbraw/zinc/97/38/60/395973860.db2.gz QUSWGGNDHCMNIJ-QJPTWQEYSA-N 0 0 301.350 0.741 10 0 DCAERN O=C(CCCOCCc1ccccc1)N[C@H]1CCC(=O)NC1=O ZINC000152153446 396000972 /nfs/dbraw/zinc/00/09/72/396000972.db2.gz NVPNLCNLPRSLOM-AWEZNQCLSA-N 0 0 318.373 0.947 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000150920349 395975715 /nfs/dbraw/zinc/97/57/15/395975715.db2.gz SECVCGGGQSKFOF-NEPJUHHUSA-N 0 0 304.412 0.632 10 0 DCAERN CN(CCn1cccn1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247673060 395978115 /nfs/dbraw/zinc/97/81/15/395978115.db2.gz QJZWBRSCASGVFI-CABCVRRESA-N 0 0 306.410 0.985 10 0 DCAERN Cn1nc(C2CCCCC2)cc1NC(=O)CN1CC(=O)NC1=O ZINC000151137722 395979497 /nfs/dbraw/zinc/97/94/97/395979497.db2.gz FZXZAYYAVFBQLS-UHFFFAOYSA-N 0 0 319.365 0.958 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCCn3ccnc3)CCO2)[nH]1 ZINC000151106707 395979597 /nfs/dbraw/zinc/97/95/97/395979597.db2.gz RAHYDYKMQZHDKR-NSHDSACASA-N 0 0 319.369 0.347 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CC(CO)C1 ZINC000274852005 395982372 /nfs/dbraw/zinc/98/23/72/395982372.db2.gz RPJAXBJGJKNNJL-CYBMUJFWSA-N 0 0 306.387 0.652 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000151401719 395985103 /nfs/dbraw/zinc/98/51/03/395985103.db2.gz ZZRWZONUAFLJNC-JTQLQIEISA-N 0 0 309.329 0.934 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151440766 395985819 /nfs/dbraw/zinc/98/58/19/395985819.db2.gz OKAUPUTWZPRPNN-DOMZBBRYSA-N 0 0 307.398 0.950 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000066102689 396001578 /nfs/dbraw/zinc/00/15/78/396001578.db2.gz ZJRRXFHEEJJGPI-NSHDSACASA-N 0 0 314.411 0.408 10 0 DCAERN Cn1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1=O ZINC000151584166 395989118 /nfs/dbraw/zinc/98/91/18/395989118.db2.gz CHABBTZLBFIRPK-NEPJUHHUSA-N 0 0 304.350 0.660 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000276247255 395989775 /nfs/dbraw/zinc/98/97/75/395989775.db2.gz CJTUAQJRYFSAJT-GFCCVEGCSA-N 0 0 318.782 0.259 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248528105 395989807 /nfs/dbraw/zinc/98/98/07/395989807.db2.gz DHSJEWNTSNCIKD-DMDPSCGWSA-N 0 0 321.381 0.396 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC1(CO)CCOCC1 ZINC000151687805 395990661 /nfs/dbraw/zinc/99/06/61/395990661.db2.gz XPTWOLBZECDFMC-UHFFFAOYSA-N 0 0 319.361 0.235 10 0 DCAERN O=C(NCc1ccco1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313541 395992435 /nfs/dbraw/zinc/99/24/35/395992435.db2.gz JLZODFSVZKCPTF-LLVKDONJSA-N 0 0 302.334 0.896 10 0 DCAERN O[C@@H](CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000248734068 395996424 /nfs/dbraw/zinc/99/64/24/395996424.db2.gz QNJKODSRLPQJLE-FUHWJXTLSA-N 0 0 318.417 0.811 10 0 DCAERN CCN(C)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000248805492 395997213 /nfs/dbraw/zinc/99/72/13/395997213.db2.gz BKCMHDCUPFBISN-CYBMUJFWSA-N 0 0 312.439 0.661 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000153365197 396024322 /nfs/dbraw/zinc/02/43/22/396024322.db2.gz GCGISLVBWIENGJ-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1CO ZINC000253400749 396026827 /nfs/dbraw/zinc/02/68/27/396026827.db2.gz FDSWZUFZBXWXFF-VHSXEESVSA-N 0 0 314.744 0.906 10 0 DCAERN Cn1cc(CNC(=O)c2cc(C(N)=O)c[nH]2)c(C(F)(F)F)n1 ZINC000154009571 396029209 /nfs/dbraw/zinc/02/92/09/396029209.db2.gz JAGPDOYFKWBSRD-UHFFFAOYSA-N 0 0 315.255 0.796 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)NC(C)(C)C ZINC000067717666 396031878 /nfs/dbraw/zinc/03/18/78/396031878.db2.gz NDROSHFGYFOSSI-MXWKQRLJSA-N 0 0 321.443 0.233 10 0 DCAERN CC(=O)N1CCCn2ccnc2[C@@H]1C1CC[NH+](CCO)CC1 ZINC000257189685 396035106 /nfs/dbraw/zinc/03/51/06/396035106.db2.gz JTDAXUQFVHPHOS-HNNXBMFYSA-N 0 0 306.410 0.881 10 0 DCAERN CCc1nc(CN2CCN(CC(=O)NC(N)=O)CC2)cs1 ZINC000154471209 396038376 /nfs/dbraw/zinc/03/83/76/396038376.db2.gz UHZJYOPCEBXHGC-UHFFFAOYSA-N 0 0 311.411 0.018 10 0 DCAERN CCc1nc2cc(NC(=O)C[C@@H]3NC(=O)NC3=O)ccc2o1 ZINC000154653159 396040053 /nfs/dbraw/zinc/04/00/53/396040053.db2.gz NFBWYLFXXYKLLA-VIFPVBQESA-N 0 0 302.290 0.927 10 0 DCAERN CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000154701032 396041038 /nfs/dbraw/zinc/04/10/38/396041038.db2.gz UDICPIXIQSCLCQ-GZBFAFLISA-N 0 0 305.378 0.878 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[NH2+]CC[C@@H]1C ZINC000261618232 396049682 /nfs/dbraw/zinc/04/96/82/396049682.db2.gz BLJQPDDGPAFQAI-YUMQZZPRSA-N 0 0 319.408 0.206 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)c2nccs2)CCS1(=O)=O ZINC000155564401 396054151 /nfs/dbraw/zinc/05/41/51/396054151.db2.gz LWQAGTCZKNJHIY-VIFPVBQESA-N 0 0 303.409 0.225 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)C[C@H](C)O1 ZINC000068960862 396067234 /nfs/dbraw/zinc/06/72/34/396067234.db2.gz IFEMBJAKMUILLM-STQMWFEESA-N 0 0 313.423 0.910 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1ccc(Cl)cc1 ZINC000249298689 396005425 /nfs/dbraw/zinc/00/54/25/396005425.db2.gz NKYSAWZMQYLNEP-HZSPNIEDSA-N 0 0 310.781 0.873 10 0 DCAERN CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152390064 396008322 /nfs/dbraw/zinc/00/83/22/396008322.db2.gz OZUPVDWGPAPKJA-LLVKDONJSA-N 0 0 320.397 0.638 10 0 DCAERN CCn1cc([C@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)cn1 ZINC000249462890 396008874 /nfs/dbraw/zinc/00/88/74/396008874.db2.gz ZZCKTWFGENZTNC-GOEBONIOSA-N 0 0 308.426 0.997 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250429472 396014487 /nfs/dbraw/zinc/01/44/87/396014487.db2.gz QVBWJJGJYLCPFA-JSGCOSHPSA-N 0 0 319.423 0.896 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000251437373 396015494 /nfs/dbraw/zinc/01/54/94/396015494.db2.gz CCUJHYRLHXLBKB-AXFHLTTASA-N 0 0 323.397 0.718 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)[C@H]1CCCO1 ZINC000251451988 396015820 /nfs/dbraw/zinc/01/58/20/396015820.db2.gz XIEKGPWIGYLWSI-HZSPNIEDSA-N 0 0 312.410 0.992 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000152912052 396017413 /nfs/dbraw/zinc/01/74/13/396017413.db2.gz MWPDMLCDTXKWMQ-STQMWFEESA-N 0 0 320.418 0.698 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000153088153 396020772 /nfs/dbraw/zinc/02/07/72/396020772.db2.gz LNWBDBBPQNIWIQ-GZMMTYOYSA-N 0 0 307.375 0.765 10 0 DCAERN CNC(=O)N1CCC([C@H]2CCN(C(=O)Cn3cccn3)C2)CC1 ZINC000169781826 396091757 /nfs/dbraw/zinc/09/17/57/396091757.db2.gz YDRCHUOVGVJBSZ-AWEZNQCLSA-N 0 0 319.409 0.783 10 0 DCAERN Cc1nnc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C)C2)o1 ZINC000277879224 396092504 /nfs/dbraw/zinc/09/25/04/396092504.db2.gz DPWOYVYEUHXDRV-CMPLNLGQSA-N 0 0 322.365 0.536 10 0 DCAERN Cc1nnc2n1CC[C@@H](N(C)S(=O)(=O)c1cn(C)cn1)CC2 ZINC000169790478 396093621 /nfs/dbraw/zinc/09/36/21/396093621.db2.gz OTNMFOVGTFCTNJ-NSHDSACASA-N 0 0 324.410 0.346 10 0 DCAERN C/C=C/C(=O)N1CSC[C@@H]1C(=O)N[C@](C)(CC)C(=O)OC ZINC000069893930 396093866 /nfs/dbraw/zinc/09/38/66/396093866.db2.gz MNVSEJPHYNYSNV-DRLXOFOESA-N 0 0 314.407 0.922 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](n2cncn2)C1 ZINC000170896435 396100652 /nfs/dbraw/zinc/10/06/52/396100652.db2.gz WLEJNPWSCKUOKE-AWEZNQCLSA-N 0 0 313.361 0.872 10 0 DCAERN OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)ncn1 ZINC000170999798 396103177 /nfs/dbraw/zinc/10/31/77/396103177.db2.gz QPWOAWZISAJEMJ-VXGBXAGGSA-N 0 0 315.381 0.456 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)n1cc(I)cn1 ZINC000070679540 396103298 /nfs/dbraw/zinc/10/32/98/396103298.db2.gz GIJHTUOQXLCUBE-BYPYZUCNSA-N 0 0 308.079 0.244 10 0 DCAERN COc1ccc(OC)c([C@@H](C)NCc2nc(N)nc(N)n2)c1 ZINC000171141112 396109289 /nfs/dbraw/zinc/10/92/89/396109289.db2.gz VJHAVEXRICSJLZ-MRVPVSSYSA-N 0 0 304.354 0.904 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CN2CCCS2(=O)=O)cn1 ZINC000171349413 396114542 /nfs/dbraw/zinc/11/45/42/396114542.db2.gz VESGOCMALBECIW-LBPRGKRZSA-N 0 0 312.395 0.119 10 0 DCAERN Cn1nccc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000278294189 396117440 /nfs/dbraw/zinc/11/74/40/396117440.db2.gz BIQVLYKDZARZIR-UONOGXRCSA-N 0 0 305.378 0.949 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171530250 396117732 /nfs/dbraw/zinc/11/77/32/396117732.db2.gz USXPCDPHLAUBPX-LBPRGKRZSA-N 0 0 309.370 0.478 10 0 DCAERN O=C(CN1CCC(Nc2cccnn2)CC1)Nc1nncs1 ZINC000171552778 396119085 /nfs/dbraw/zinc/11/90/85/396119085.db2.gz PFEJJQVHKDTNSZ-UHFFFAOYSA-N 0 0 319.394 0.843 10 0 DCAERN CCOc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1F ZINC000171714225 396123336 /nfs/dbraw/zinc/12/33/36/396123336.db2.gz KCPVMXMJSQIANV-UHFFFAOYSA-N 0 0 318.370 0.780 10 0 DCAERN CC(C)(O)CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000171749208 396124512 /nfs/dbraw/zinc/12/45/12/396124512.db2.gz BBSPFRQXKNMJAV-NSHDSACASA-N 0 0 312.391 0.975 10 0 DCAERN O=C(NCCCN1CCOCC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172114109 396128725 /nfs/dbraw/zinc/12/87/25/396128725.db2.gz MLPPNKIZVRJOFG-YIONKMFJSA-N 0 0 311.426 0.511 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000172625486 396132953 /nfs/dbraw/zinc/13/29/53/396132953.db2.gz CZUJKWUDFYNKNM-LBPRGKRZSA-N 0 0 315.251 0.996 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000172765187 396133071 /nfs/dbraw/zinc/13/30/71/396133071.db2.gz IGRNMGQJKDLPQA-SNVBAGLBSA-N 0 0 319.365 0.920 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000175509111 396140124 /nfs/dbraw/zinc/14/01/24/396140124.db2.gz XLZBFYQNZGEFTC-LBPRGKRZSA-N 0 0 315.439 0.301 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CC[S@@](=O)C1 ZINC000277570385 396074886 /nfs/dbraw/zinc/07/48/86/396074886.db2.gz BAYAPTSIAIONFW-GPAUDHNESA-N 0 0 324.450 0.643 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCNC(=O)N(C)C)cc1C ZINC000162200689 396079198 /nfs/dbraw/zinc/07/91/98/396079198.db2.gz OBEBMWHHQXOYGC-UHFFFAOYSA-N 0 0 320.393 0.421 10 0 DCAERN C[C@@H](c1ccccn1)N(C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425404 396081244 /nfs/dbraw/zinc/08/12/44/396081244.db2.gz KCXLRZYAEVUZEB-LBPRGKRZSA-N 0 0 323.422 0.786 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@@](C)(O)C3)C2)cn1 ZINC000162666198 396083013 /nfs/dbraw/zinc/08/30/13/396083013.db2.gz HXUKNJHEKRCIME-XJKSGUPXSA-N 0 0 321.425 0.945 10 0 DCAERN Cn1ncnc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000162932580 396084675 /nfs/dbraw/zinc/08/46/75/396084675.db2.gz PZECHYMEOXATJI-LLVKDONJSA-N 0 0 315.333 0.764 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCCC[C@@H]1CO ZINC000175941430 396146901 /nfs/dbraw/zinc/14/69/01/396146901.db2.gz HQSDOCBFKNHCHO-KGLIPLIRSA-N 0 0 320.393 0.662 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000073749110 396149946 /nfs/dbraw/zinc/14/99/46/396149946.db2.gz ZUMVARYPOALUEW-IHRRRGAJSA-N 0 0 319.409 0.906 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000076940555 396209784 /nfs/dbraw/zinc/20/97/84/396209784.db2.gz JMCKMOFUUBLFRN-ZJNREGCTSA-N 0 0 303.428 0.452 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1nc2c(s1)COCC2 ZINC000176465901 396155830 /nfs/dbraw/zinc/15/58/30/396155830.db2.gz PNDQGKYQVZZPCT-SECBINFHSA-N 0 0 310.379 0.958 10 0 DCAERN C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1N1CCOCC1 ZINC000176705111 396159121 /nfs/dbraw/zinc/15/91/21/396159121.db2.gz RCKZZFAFWANNBL-YPMHNXCESA-N 0 0 302.382 0.520 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000177000971 396164848 /nfs/dbraw/zinc/16/48/48/396164848.db2.gz VKDPMHYQVRGALV-CABZTGNLSA-N 0 0 314.349 0.823 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3ncnn3C)CC2)n1 ZINC000177135617 396167219 /nfs/dbraw/zinc/16/72/19/396167219.db2.gz DSMDTKYSIPGTHN-UHFFFAOYSA-N 0 0 303.370 0.326 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000177545297 396178157 /nfs/dbraw/zinc/17/81/57/396178157.db2.gz SZCMORPKZHUBFT-QWRGUYRKSA-N 0 0 306.366 0.646 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H]1Cn1ccnc1 ZINC000177536580 396178242 /nfs/dbraw/zinc/17/82/42/396178242.db2.gz RJDSYVCPBTULNW-OLZOCXBDSA-N 0 0 315.381 0.664 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000177801014 396183994 /nfs/dbraw/zinc/18/39/94/396183994.db2.gz NNARCWMGTMNMEN-NEPJUHHUSA-N 0 0 316.361 0.944 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)no1 ZINC000075982303 396191047 /nfs/dbraw/zinc/19/10/47/396191047.db2.gz NNXNOTXEVRRPOZ-CMPLNLGQSA-N 0 0 321.381 0.657 10 0 DCAERN CO[C@@H](C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000280308920 396192207 /nfs/dbraw/zinc/19/22/07/396192207.db2.gz NJDKIOYXRRPBGG-CHWSQXEVSA-N 0 0 320.393 0.290 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CC(F)(F)CN2)C[C@@H](C)O1 ZINC000262919797 396192441 /nfs/dbraw/zinc/19/24/41/396192441.db2.gz GSNUDURNEXVXKA-UTUOFQBUSA-N 0 0 319.396 0.988 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178326788 396194247 /nfs/dbraw/zinc/19/42/47/396194247.db2.gz CBNRSNKJILWKGD-SUMWQHHRSA-N 0 0 317.389 0.965 10 0 DCAERN O=C(CN1CCOC[C@H]1C[C@H](O)c1ccco1)NCC1CC1 ZINC000178401895 396195966 /nfs/dbraw/zinc/19/59/66/396195966.db2.gz LUUCCHQLQLPJKR-KGLIPLIRSA-N 0 0 308.378 0.930 10 0 DCAERN O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CC(F)(F)CN1 ZINC000263012105 396197521 /nfs/dbraw/zinc/19/75/21/396197521.db2.gz PTXMHEPLJJPASC-SECBINFHSA-N 0 0 309.276 0.745 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)C(=O)NCc1ccccc1 ZINC000263069111 396199686 /nfs/dbraw/zinc/19/96/86/396199686.db2.gz WIHQXEQWPKGHRY-ZYHUDNBSSA-N 0 0 311.332 0.805 10 0 DCAERN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263084251 396200641 /nfs/dbraw/zinc/20/06/41/396200641.db2.gz XTJHOQYLPXTNCA-JTQLQIEISA-N 0 0 319.333 0.994 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)C(=O)NCCF)cc1 ZINC000281848912 396244081 /nfs/dbraw/zinc/24/40/81/396244081.db2.gz BCWRKRDPJMADBB-JTQLQIEISA-N 0 0 309.341 0.873 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCCn1ccnn1 ZINC000182177680 396247718 /nfs/dbraw/zinc/24/77/18/396247718.db2.gz WIPSSCNJJIMQBP-UHFFFAOYSA-N 0 0 305.386 0.560 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C[S@](C)=O)C1 ZINC000182608288 396251705 /nfs/dbraw/zinc/25/17/05/396251705.db2.gz RLTOYUGXAAMFST-ZSMADZGOSA-N 0 0 317.455 0.844 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000281959912 396252184 /nfs/dbraw/zinc/25/21/84/396252184.db2.gz VBGYXXSTABVFML-MFKMUULPSA-N 0 0 305.382 0.543 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCCn1ccnn1 ZINC000182729027 396253408 /nfs/dbraw/zinc/25/34/08/396253408.db2.gz JCHJNNDSHDYSMU-SECBINFHSA-N 0 0 322.398 0.287 10 0 DCAERN CNC(=O)C1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000078899082 396256927 /nfs/dbraw/zinc/25/69/27/396256927.db2.gz SHMDLAQYMXSATF-UHFFFAOYSA-N 0 0 316.361 0.314 10 0 DCAERN O=C(Cc1ccc2c(c1)OCCO2)NCCCn1ccnn1 ZINC000182947259 396257388 /nfs/dbraw/zinc/25/73/88/396257388.db2.gz LKLPVAVZNSCPHK-UHFFFAOYSA-N 0 0 302.334 0.798 10 0 DCAERN CO[C@H](C)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000182961553 396257567 /nfs/dbraw/zinc/25/75/67/396257567.db2.gz DUYKGEQTYBNJRI-SNVBAGLBSA-N 0 0 300.380 0.765 10 0 DCAERN CNC(=O)[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000184049078 396282633 /nfs/dbraw/zinc/28/26/33/396282633.db2.gz PEQCARISBPVQGK-GFCCVEGCSA-N 0 0 313.304 0.350 10 0 DCAERN CN(CCN1CCOCC1)C(=O)NCc1cn2c(n1)CCCC2 ZINC000264289915 396267134 /nfs/dbraw/zinc/26/71/34/396267134.db2.gz LNFLXYAVNGSUHS-UHFFFAOYSA-N 0 0 321.425 0.693 10 0 DCAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000183364052 396268121 /nfs/dbraw/zinc/26/81/21/396268121.db2.gz UOXKLLHAEKYRNQ-SNVBAGLBSA-N 0 0 318.782 0.523 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)NCCCn2ccnn2)CC1=O ZINC000183516104 396270821 /nfs/dbraw/zinc/27/08/21/396270821.db2.gz NYSRAOUPWMVKAZ-NSHDSACASA-N 0 0 308.386 0.367 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)C(=O)Nc1ccccc1 ZINC000183569861 396271152 /nfs/dbraw/zinc/27/11/52/396271152.db2.gz JTTGDMJZNODPDA-GFCCVEGCSA-N 0 0 316.365 0.995 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000183752169 396273963 /nfs/dbraw/zinc/27/39/63/396273963.db2.gz OVYDFVLBOIVGHF-GHMZBOCLSA-N 0 0 310.350 0.593 10 0 DCAERN O=C(CN1CCCN(c2ccccn2)CC1)NC[C@@H]1CCCO1 ZINC000183776659 396274758 /nfs/dbraw/zinc/27/47/58/396274758.db2.gz RRXPWPVYJKQDAY-HNNXBMFYSA-N 0 0 318.421 0.889 10 0 DCAERN CN1C[C@H](NC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)CC1=O ZINC000282257189 396275376 /nfs/dbraw/zinc/27/53/76/396275376.db2.gz HHGKLCVTBHOPMT-MCIONIFRSA-N 0 0 321.352 0.874 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC(n2cncn2)CC1 ZINC000183860018 396276696 /nfs/dbraw/zinc/27/66/96/396276696.db2.gz ZDSPVXIOOTXBTK-UHFFFAOYSA-N 0 0 313.427 0.892 10 0 DCAERN CCN(CCO)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000183940968 396277985 /nfs/dbraw/zinc/27/79/85/396277985.db2.gz JLINLDWCIZHCPN-UHFFFAOYSA-N 0 0 320.436 0.196 10 0 DCAERN CC1(Cn2cc(C(=O)N[C@@H]3CCCC[C@@H]3CO)nn2)COC1 ZINC000183945891 396278151 /nfs/dbraw/zinc/27/81/51/396278151.db2.gz LHFSZNBBKGLEOR-VXGBXAGGSA-N 0 0 308.382 0.596 10 0 DCAERN Cc1ncn(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1C ZINC000178970624 396216915 /nfs/dbraw/zinc/21/69/15/396216915.db2.gz OXXONYPSKPNKNM-UHFFFAOYSA-N 0 0 316.365 0.337 10 0 DCAERN Cc1c(N[C@@H]2CCNC2=O)cccc1C(=O)N1CCOCC1 ZINC000179043531 396219664 /nfs/dbraw/zinc/21/96/64/396219664.db2.gz FZYCYEOPJCGKGL-CQSZACIVSA-N 0 0 303.362 0.768 10 0 DCAERN Cc1ccc(C(=O)N2CCOCC2)cc1N[C@H]1CCNC1=O ZINC000179046805 396219732 /nfs/dbraw/zinc/21/97/32/396219732.db2.gz BUXXYCXBKUEJGA-ZDUSSCGKSA-N 0 0 303.362 0.768 10 0 DCAERN Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@H](O)C[C@@H]3CO)ccc12 ZINC000179172530 396222724 /nfs/dbraw/zinc/22/27/24/396222724.db2.gz CMDHIRFPBCECNE-CHWSQXEVSA-N 0 0 319.357 0.908 10 0 DCAERN Cc1cccc(C)c1OC[C@@H](O)CN1CCOC[C@@H]1C(N)=O ZINC000179732855 396229434 /nfs/dbraw/zinc/22/94/34/396229434.db2.gz AQKLWQUMXMDXAC-UONOGXRCSA-N 0 0 308.378 0.229 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000077771934 396232758 /nfs/dbraw/zinc/23/27/58/396232758.db2.gz PJBKZKPYBGGPBY-QWHCGFSZSA-N 0 0 322.409 0.734 10 0 DCAERN CC(C)(C)c1nnc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185189913 396320895 /nfs/dbraw/zinc/32/08/95/396320895.db2.gz SFOFYEWSDAKNTG-RKDXNWHRSA-N 0 0 314.411 0.202 10 0 DCAERN COCCC(C)(C)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000185044473 396315323 /nfs/dbraw/zinc/31/53/23/396315323.db2.gz HOUDCUPPXGCMMR-RYUDHWBXSA-N 0 0 308.444 0.993 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000185052638 396315729 /nfs/dbraw/zinc/31/57/29/396315729.db2.gz VUKULZAQXFLSIH-CHNSCGDPSA-N 0 0 312.391 0.308 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)NCCCn1ccnn1 ZINC000185076278 396316872 /nfs/dbraw/zinc/31/68/72/396316872.db2.gz UAVHMGUGNHDYPG-JTQLQIEISA-N 0 0 307.379 0.664 10 0 DCAERN Cc1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c(O)c1 ZINC000176902862 292072953 /nfs/dbraw/zinc/07/29/53/292072953.db2.gz XQPBXBYYXOILBE-INIZCTEOSA-N 0 0 308.378 0.514 10 0 DCAERN O=C(c1cc[nH]c(=O)c1)N1CCN(c2cccs2)C(=O)C1 ZINC000184073777 396284064 /nfs/dbraw/zinc/28/40/64/396284064.db2.gz GVYCKOAZHVCJKD-UHFFFAOYSA-N 0 0 303.343 0.925 10 0 DCAERN NC(=O)NCCCCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184076548 396284215 /nfs/dbraw/zinc/28/42/15/396284215.db2.gz MRXZFQORDPDJDN-UHFFFAOYSA-N 0 0 324.406 0.762 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184081530 396284740 /nfs/dbraw/zinc/28/47/40/396284740.db2.gz FDTHUBURWMQYDP-UHFFFAOYSA-N 0 0 316.404 0.358 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCO[C@]4(CCOC4)C3)nc12 ZINC000185148544 396319458 /nfs/dbraw/zinc/31/94/58/396319458.db2.gz HATKHFQJBJOKMC-QGZVFWFLSA-N 0 0 315.373 0.994 10 0 DCAERN COc1ccc(N2C[C@H](C(=O)N3CC(CO)C3)CC2=O)cc1 ZINC000184220053 396288647 /nfs/dbraw/zinc/28/86/47/396288647.db2.gz JFYBZXGHCJGQEL-GFCCVEGCSA-N 0 0 304.346 0.499 10 0 DCAERN CC[C@@H](C(=O)N1CCN(c2cc(OC)ncn2)CC1)[NH+](C)C ZINC000184317484 396290227 /nfs/dbraw/zinc/29/02/27/396290227.db2.gz KHSGVSJVSIQBCB-LBPRGKRZSA-N 0 0 307.398 0.474 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000184409205 396294654 /nfs/dbraw/zinc/29/46/54/396294654.db2.gz WJZDFQMIKDCUOS-PWSUYJOCSA-N 0 0 304.412 0.532 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1nnc(C2CCC2)[nH]1 ZINC000184544162 396298390 /nfs/dbraw/zinc/29/83/90/396298390.db2.gz XUQQVPIHCGXUEH-UHFFFAOYSA-N 0 0 300.322 0.836 10 0 DCAERN CCN(C)C(=O)CNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000184587431 396299282 /nfs/dbraw/zinc/29/92/82/396299282.db2.gz FUFDWXDVMQWCCZ-UHFFFAOYSA-N 0 0 306.362 0.985 10 0 DCAERN Cc1ccc2nc(NC(=O)CN3C[C@@H](O)C[C@@H]3CO)sc2c1 ZINC000184724237 396302877 /nfs/dbraw/zinc/30/28/77/396302877.db2.gz HWICRMUFTOGDAY-MNOVXSKESA-N 0 0 321.402 0.971 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000184767040 396304591 /nfs/dbraw/zinc/30/45/91/396304591.db2.gz IFJROAJXUQRFTD-CYBMUJFWSA-N 0 0 306.428 0.196 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCCOC)C[C@@H]1C ZINC000184748879 396305032 /nfs/dbraw/zinc/30/50/32/396305032.db2.gz PIKMRMFAYGXFJV-AWEZNQCLSA-N 0 0 322.471 0.785 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185159342 396320497 /nfs/dbraw/zinc/32/04/97/396320497.db2.gz ZJCLCDCIDMJXPY-WDEREUQCSA-N 0 0 311.348 0.442 10 0 DCAERN CCn1nc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C ZINC000265356802 396309958 /nfs/dbraw/zinc/30/99/58/396309958.db2.gz VIXBOUOBNUTXHX-NSHDSACASA-N 0 0 314.411 0.284 10 0 DCAERN CCc1nc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)cs1 ZINC000184912178 396310637 /nfs/dbraw/zinc/31/06/37/396310637.db2.gz KFEPXHYSGWHPHJ-SNVBAGLBSA-N 0 0 318.420 0.478 10 0 DCAERN Cc1noc(C(C)C)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265367865 396310953 /nfs/dbraw/zinc/31/09/53/396310953.db2.gz ZJOGKNFQGRMTII-SNVBAGLBSA-N 0 0 315.395 0.870 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000185408749 396327420 /nfs/dbraw/zinc/32/74/20/396327420.db2.gz DFMDSVPKPJMLSA-CYBMUJFWSA-N 0 0 317.389 0.873 10 0 DCAERN CCN1C(=S)N=NC1CNC(=O)c1ccc2nnn(C)c2c1 ZINC000185227883 396322227 /nfs/dbraw/zinc/32/22/27/396322227.db2.gz HPDZIFAXCOMDIN-UHFFFAOYSA-N 0 0 317.378 0.798 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCC3N=NC(=S)N3C)cc21 ZINC000185228151 396322236 /nfs/dbraw/zinc/32/22/36/396322236.db2.gz UTSFHGQOJRPJRD-UHFFFAOYSA-N 0 0 317.378 0.358 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000185342117 396325367 /nfs/dbraw/zinc/32/53/67/396325367.db2.gz PBZLEMPHDZONMC-NWDGAFQWSA-N 0 0 320.480 0.773 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000185933696 396337934 /nfs/dbraw/zinc/33/79/34/396337934.db2.gz LQGAUAUQJIFRJE-UHFFFAOYSA-N 0 0 307.379 0.886 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Cl)cn2)C1 ZINC000185769578 396334457 /nfs/dbraw/zinc/33/44/57/396334457.db2.gz UJHGZRBEQFCHOI-UHFFFAOYSA-N 0 0 312.757 0.391 10 0 DCAERN CC[C@@](C)(O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185847723 396335895 /nfs/dbraw/zinc/33/58/95/396335895.db2.gz YUNIQIVNULTOQU-OAHLLOKOSA-N 0 0 323.397 0.999 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186224272 396345329 /nfs/dbraw/zinc/34/53/29/396345329.db2.gz AVZVPIDOHVQWGK-ZDUSSCGKSA-N 0 0 313.423 0.346 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284776428 396346091 /nfs/dbraw/zinc/34/60/91/396346091.db2.gz QBGKKOLXXMPTLH-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN O=C(NC1CN(S(=O)(=O)C[C@H]2CCCCO2)C1)C1CCC1 ZINC000186175405 396342999 /nfs/dbraw/zinc/34/29/99/396342999.db2.gz YNXLUNPWLYGEQG-CYBMUJFWSA-N 0 0 316.423 0.486 10 0 DCAERN O=C(c1cccc(-n2cncn2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000186695331 396355575 /nfs/dbraw/zinc/35/55/75/396355575.db2.gz QMZXAGVWJFSRPS-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN CO[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC[C@H]1C ZINC000187862670 396375457 /nfs/dbraw/zinc/37/54/57/396375457.db2.gz KIERBLSTJKDONG-SKDRFNHKSA-N 0 0 317.349 0.325 10 0 DCAERN COCC1=CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000186762307 396357690 /nfs/dbraw/zinc/35/76/90/396357690.db2.gz JPDGHIJWAJNUTP-RYUDHWBXSA-N 0 0 304.412 0.619 10 0 DCAERN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CC1(CO)CC1 ZINC000186824005 396359232 /nfs/dbraw/zinc/35/92/32/396359232.db2.gz VXPKLRMRXFXZML-SNVBAGLBSA-N 0 0 318.377 0.888 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1cc(C)cc(C)c1 ZINC000187034920 396362572 /nfs/dbraw/zinc/36/25/72/396362572.db2.gz SITNRHKOKWXLNE-OCCSQVGLSA-N 0 0 304.346 0.770 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1)C1CC1 ZINC000187817742 396374916 /nfs/dbraw/zinc/37/49/16/396374916.db2.gz IZJYTCNBRVWNRJ-JSGCOSHPSA-N 0 0 307.394 0.864 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000187749429 396373807 /nfs/dbraw/zinc/37/38/07/396373807.db2.gz QSHKSQJKFMVVFN-JTQLQIEISA-N 0 0 302.334 0.974 10 0 DCAERN C[C@H]1OCCN(C(=O)c2cc3c(cc2O)CCCC3)[C@@H]1C(N)=O ZINC000285457490 396350399 /nfs/dbraw/zinc/35/03/99/396350399.db2.gz QOJCISJSRHHDFS-BMIGLBTASA-N 0 0 318.373 0.986 10 0 DCAERN CCC[C@@H](CCO)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186547824 396352248 /nfs/dbraw/zinc/35/22/48/396352248.db2.gz LPOLXZURIRBXGD-JTQLQIEISA-N 0 0 304.350 0.847 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000188654510 396384372 /nfs/dbraw/zinc/38/43/72/396384372.db2.gz XZGWYOBHAVBIJY-CQSZACIVSA-N 0 0 316.361 0.172 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000188850139 396387042 /nfs/dbraw/zinc/38/70/42/396387042.db2.gz SSLDYHJGHSTLED-VXGBXAGGSA-N 0 0 307.394 0.515 10 0 DCAERN Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)cc1S(C)(=O)=O ZINC000188921939 396388492 /nfs/dbraw/zinc/38/84/92/396388492.db2.gz HFPQDXFENPHAMC-NSHDSACASA-N 0 0 324.402 0.749 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCO[C@@H](CO)C1 ZINC000269135210 396388472 /nfs/dbraw/zinc/38/84/72/396388472.db2.gz CXDNKTHDPLVYDO-GFCCVEGCSA-N 0 0 304.350 0.488 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000269143607 396389102 /nfs/dbraw/zinc/38/91/02/396389102.db2.gz LNYTZKOZRPRKFK-VHSXEESVSA-N 0 0 309.370 0.976 10 0 DCAERN COCCNC(=O)CNC(=O)c1snnc1C(C)(C)C ZINC000188985881 396389436 /nfs/dbraw/zinc/38/94/36/396389436.db2.gz SJSZSXSOPSNIIS-UHFFFAOYSA-N 0 0 300.384 0.328 10 0 DCAERN COCCN1CCCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1=O ZINC000189050087 396389964 /nfs/dbraw/zinc/38/99/64/396389964.db2.gz ROIIKLHOCGHYKM-LLVKDONJSA-N 0 0 322.409 0.837 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NC(=O)NCc1ccccc1 ZINC000189318788 396393416 /nfs/dbraw/zinc/39/34/16/396393416.db2.gz PXISFTIJSVTAPH-GFCCVEGCSA-N 0 0 318.377 0.223 10 0 DCAERN COC(=O)CCCc1nc(CN2CCCNC(=O)[C@H]2C)no1 ZINC000189307633 396393550 /nfs/dbraw/zinc/39/35/50/396393550.db2.gz GZSLBALEKBNUMJ-SNVBAGLBSA-N 0 0 310.354 0.276 10 0 DCAERN C[C@H](CN1CCN(CC(C)(C)O)C[C@H]1C)CS(C)(=O)=O ZINC000189415719 396395198 /nfs/dbraw/zinc/39/51/98/396395198.db2.gz QKWRSALQOUSORW-CHWSQXEVSA-N 0 0 306.472 0.444 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000189471223 396395663 /nfs/dbraw/zinc/39/56/63/396395663.db2.gz RSIHAIBINCWHGI-ZDUSSCGKSA-N 0 0 314.345 0.738 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000189795942 396399494 /nfs/dbraw/zinc/39/94/94/396399494.db2.gz IIMKKSFLVVZYAN-VXGBXAGGSA-N 0 0 308.382 0.781 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000190519965 396406990 /nfs/dbraw/zinc/40/69/90/396406990.db2.gz XBVIWAIVNKLPFK-JGVFFNPUSA-N 0 0 307.272 0.092 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1=O ZINC000190591170 396408302 /nfs/dbraw/zinc/40/83/02/396408302.db2.gz MYYHZMMTWKGFDZ-UHFFFAOYSA-N 0 0 309.753 0.718 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190673690 396409653 /nfs/dbraw/zinc/40/96/53/396409653.db2.gz JLWIZNUJQNJRLO-MRVPVSSYSA-N 0 0 308.338 0.221 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)n(C)n1 ZINC000190683180 396410242 /nfs/dbraw/zinc/41/02/42/396410242.db2.gz ISFKZYPTVNBOTC-SNVBAGLBSA-N 0 0 321.381 0.048 10 0 DCAERN COCCN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1=O ZINC000190800524 396411661 /nfs/dbraw/zinc/41/16/61/396411661.db2.gz ACGONHRABYTVNC-LLVKDONJSA-N 0 0 312.370 0.458 10 0 DCAERN CCn1cc([C@@H]2CN(CCNS(=O)(=O)CC)CCO2)cn1 ZINC000190814411 396411946 /nfs/dbraw/zinc/41/19/46/396411946.db2.gz OZVBLOLDOBOUFF-ZDUSSCGKSA-N 0 0 316.427 0.216 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1=O ZINC000191038664 396414387 /nfs/dbraw/zinc/41/43/87/396414387.db2.gz LJRPPIZHTPIMIH-UHFFFAOYSA-N 0 0 311.288 0.594 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2cccc(Cl)c2)CC1=O ZINC000191040857 396414476 /nfs/dbraw/zinc/41/44/76/396414476.db2.gz IZKOGDDXJAJBJV-UHFFFAOYSA-N 0 0 309.753 0.969 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)ccc1F ZINC000191040280 396414623 /nfs/dbraw/zinc/41/46/23/396414623.db2.gz UUMIPSYTVGSLTC-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NCCCn2ccnn2)C[C@H]1C ZINC000191415652 396418831 /nfs/dbraw/zinc/41/88/31/396418831.db2.gz HWBPXOQXEOIYCO-VXGBXAGGSA-N 0 0 309.370 0.509 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1nccn1C(F)F ZINC000191452609 396419577 /nfs/dbraw/zinc/41/95/77/396419577.db2.gz JMWSQGHMXWXJIA-MRVPVSSYSA-N 0 0 301.297 0.698 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000191630846 396422892 /nfs/dbraw/zinc/42/28/92/396422892.db2.gz VCLLCEFHXWZFOK-GFCCVEGCSA-N 0 0 315.373 0.985 10 0 DCAERN CC(C)Cn1ccnc1CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000192027593 396428529 /nfs/dbraw/zinc/42/85/29/396428529.db2.gz SSIGTZQGLPASCD-NSHDSACASA-N 0 0 316.427 0.435 10 0 DCAERN CCN(C(=O)NCCS(=O)(=O)NC)[C@H](C)c1cccnc1 ZINC000187878989 396375876 /nfs/dbraw/zinc/37/58/76/396375876.db2.gz NPDKZXIERWUZMT-LLVKDONJSA-N 0 0 314.411 0.723 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000188083094 396379242 /nfs/dbraw/zinc/37/92/42/396379242.db2.gz JSAMNUGQUGPEQT-CYBMUJFWSA-N 0 0 306.362 0.915 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N2CCCN(C)C(=O)C2)CCCC1 ZINC000188112076 396379253 /nfs/dbraw/zinc/37/92/53/396379253.db2.gz DIQKPDLKLXOKEU-UHFFFAOYSA-N 0 0 324.425 0.509 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](COC(C)C)C1 ZINC000372174567 396495152 /nfs/dbraw/zinc/49/51/52/396495152.db2.gz ZEPOFMDGLXAIAY-QWHCGFSZSA-N 0 0 316.423 0.560 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCOC1 ZINC000514899321 396498054 /nfs/dbraw/zinc/49/80/54/396498054.db2.gz URFKCXGOCMBULX-OAHLLOKOSA-N 0 0 318.333 0.195 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193328326 396449554 /nfs/dbraw/zinc/44/95/54/396449554.db2.gz AKZBZZBDRICFJL-WCBMZHEXSA-N 0 0 324.768 0.834 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cc(F)ccc1F ZINC000193424148 396450733 /nfs/dbraw/zinc/45/07/33/396450733.db2.gz DITJJUBUIGEWIZ-TZMCWYRMSA-N 0 0 312.316 0.605 10 0 DCAERN CCn1ncnc1CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000193407763 396450948 /nfs/dbraw/zinc/45/09/48/396450948.db2.gz BOGONQVSVDIYOS-GFCCVEGCSA-N 0 0 313.427 0.298 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000372390223 396513827 /nfs/dbraw/zinc/51/38/27/396513827.db2.gz RNBRXGJDZTUEMW-ZMJPVWNMSA-N 0 0 322.409 0.990 10 0 DCAERN COCCOCCOCCCNC(=O)N1CCOCC[C@H]1C ZINC000372128766 396491603 /nfs/dbraw/zinc/49/16/03/396491603.db2.gz PDAUGWLEDSXJDA-CQSZACIVSA-N 0 0 318.414 0.877 10 0 DCAERN O=C(NCCCNC(=O)C1CCC1)c1cn2cccnc2n1 ZINC000530743590 396582865 /nfs/dbraw/zinc/58/28/65/396582865.db2.gz YESNZCPGPQLISB-UHFFFAOYSA-N 0 0 301.350 0.766 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 ZINC000372454459 396518849 /nfs/dbraw/zinc/51/88/49/396518849.db2.gz JQYHUWVHUCZNAC-NEPJUHHUSA-N 0 0 303.366 0.897 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(CCO)CC1)CC2 ZINC000372465999 396519668 /nfs/dbraw/zinc/51/96/68/396519668.db2.gz OOBFNJNTHLRROA-ZDUSSCGKSA-N 0 0 320.437 0.775 10 0 DCAERN Cn1c2cc(O)c(NC(=O)[C@@]3(O)CCSC3)cc2n(C)c1=O ZINC000291983809 396522865 /nfs/dbraw/zinc/52/28/65/396522865.db2.gz JYVOBTCDMYOXHP-CQSZACIVSA-N 0 0 323.374 0.389 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCC(O)(C1CC1)C1CC1 ZINC000594866257 396531812 /nfs/dbraw/zinc/53/18/12/396531812.db2.gz PMYQHJKHNCHZEG-UHFFFAOYSA-N 0 0 305.396 0.410 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000372623482 396532493 /nfs/dbraw/zinc/53/24/93/396532493.db2.gz ANZYWIMMRMJWBV-BBRMVZONSA-N 0 0 318.373 0.760 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C[C@@H]1OC ZINC000372852270 396549544 /nfs/dbraw/zinc/54/95/44/396549544.db2.gz PDAKHAQAQTVQER-FPYNETTCSA-N 0 0 311.382 0.051 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000374225934 396648720 /nfs/dbraw/zinc/64/87/20/396648720.db2.gz UHRCYADPIGVEOW-IHRRRGAJSA-N 0 0 320.437 0.439 10 0 DCAERN CC(C)c1cc(C(=O)NCCCN2CCCS2(=O)=O)[nH]n1 ZINC000585734167 396651347 /nfs/dbraw/zinc/65/13/47/396651347.db2.gz SMSZBJZFKXVGRT-UHFFFAOYSA-N 0 0 314.411 0.689 10 0 DCAERN CN1CC[C@H](C(=O)N2CCN[C@H](c3ccncc3)C2)CC1=O ZINC000374378144 396658864 /nfs/dbraw/zinc/65/88/64/396658864.db2.gz QBPDAGNRJIIEOX-KBPBESRZSA-N 0 0 302.378 0.423 10 0 DCAERN NC(=O)c1cnc(N2CCC[C@]3(C2)NC(=O)NC3=O)c(Cl)c1 ZINC000581921611 396592902 /nfs/dbraw/zinc/59/29/02/396592902.db2.gz SVBVBHYEWHEZEY-CYBMUJFWSA-N 0 0 323.740 0.012 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000373749887 396611626 /nfs/dbraw/zinc/61/16/26/396611626.db2.gz CQFFOWWEKLJYJJ-FIXISWKDSA-N 0 0 309.366 0.391 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373756938 396612076 /nfs/dbraw/zinc/61/20/76/396612076.db2.gz IHCPHDFDRYWUIJ-VXGBXAGGSA-N 0 0 323.393 0.925 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N2CCCCC2=O)C1 ZINC000373833501 396616860 /nfs/dbraw/zinc/61/68/60/396616860.db2.gz UXWWVDZVGIWGHM-WBMJQRKESA-N 0 0 309.410 0.762 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[C@@H]1O)CC2 ZINC000374076475 396637944 /nfs/dbraw/zinc/63/79/44/396637944.db2.gz DFUSBSSWSTWXNU-UTUOFQBUSA-N 0 0 307.398 0.616 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374091031 396638544 /nfs/dbraw/zinc/63/85/44/396638544.db2.gz CCIAVMXFAYPKDD-HONMWMINSA-N 0 0 303.362 0.976 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374129295 396641433 /nfs/dbraw/zinc/64/14/33/396641433.db2.gz INEGVPOSTUPYGL-GFQSEFKGSA-N 0 0 303.362 0.974 10 0 DCAERN C[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000586584357 396661462 /nfs/dbraw/zinc/66/14/62/396661462.db2.gz CBFZIBBPQDEVNR-NSHDSACASA-N 0 0 303.428 0.757 10 0 DCAERN CN(C)C(=O)CN1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000586700559 396662159 /nfs/dbraw/zinc/66/21/59/396662159.db2.gz NPFNLSFCFMSBIK-UHFFFAOYSA-N 0 0 305.378 0.167 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000294328986 396667539 /nfs/dbraw/zinc/66/75/39/396667539.db2.gz WHCVAJURNMPNQN-SNVBAGLBSA-N 0 0 316.365 0.315 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H](c3nnc[nH]3)C2)C[C@@H](C)O1 ZINC000374545944 396671696 /nfs/dbraw/zinc/67/16/96/396671696.db2.gz OPCCYCRXHIAFNB-JHJVBQTASA-N 0 0 307.398 0.620 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1cnn(C)c1 ZINC000562742513 396678136 /nfs/dbraw/zinc/67/81/36/396678136.db2.gz LBNZTUNQOOMQED-NSHDSACASA-N 0 0 312.395 0.179 10 0 DCAERN OC[C@H]1CN(c2ccc(I)cn2)CCO1 ZINC000294555584 396681272 /nfs/dbraw/zinc/68/12/72/396681272.db2.gz WXHHRZWOQAHTHT-SECBINFHSA-N 0 0 320.130 0.884 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000588642806 396686316 /nfs/dbraw/zinc/68/63/16/396686316.db2.gz DFBMHOFBXSLKFA-LBPRGKRZSA-N 0 0 323.368 0.501 10 0 DCAERN CCc1noc2ncc(C(=O)N3CCN4CCOC[C@H]4C3)cc12 ZINC000374963918 396701625 /nfs/dbraw/zinc/70/16/25/396701625.db2.gz OTNVNPRHXPZCQK-GFCCVEGCSA-N 0 0 316.361 0.942 10 0 DCAERN O=C(NCCCO)N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000374979597 396701914 /nfs/dbraw/zinc/70/19/14/396701914.db2.gz IXWOXQRAFNUDAO-ZDUSSCGKSA-N 0 0 321.377 0.348 10 0 DCAERN COc1cc(OC)cc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000374974041 396701935 /nfs/dbraw/zinc/70/19/35/396701935.db2.gz VXYVFXLEINXYHC-ZDUSSCGKSA-N 0 0 306.362 0.860 10 0 DCAERN O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)[C@H]1COCCO1 ZINC000589453360 396715268 /nfs/dbraw/zinc/71/52/68/396715268.db2.gz JGZIVUJMTNHVBH-CHWSQXEVSA-N 0 0 322.386 0.942 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C1=NS(=O)(=O)c2ccccc21 ZINC000302047065 396717765 /nfs/dbraw/zinc/71/77/65/396717765.db2.gz YOCXQZRJDWHRDB-NXEZZACHSA-N 0 0 307.375 0.721 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c(F)c1 ZINC000375214692 396718677 /nfs/dbraw/zinc/71/86/77/396718677.db2.gz KVSLYAYKVGBAMG-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN O=S(=O)(NCCCN1CCCS1(=O)=O)c1ccccc1 ZINC000585808976 396660246 /nfs/dbraw/zinc/66/02/46/396660246.db2.gz CLFAUNPYGVGEGE-UHFFFAOYSA-N 0 0 318.420 0.391 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN[C@@H](c3ccncc3)C2)C1 ZINC000374380005 396660489 /nfs/dbraw/zinc/66/04/89/396660489.db2.gz YYVIEVOXPIZTET-JKSUJKDBSA-N 0 0 316.405 0.813 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@]2(OCCO)CCOC2)cs1 ZINC000617704841 396778597 /nfs/dbraw/zinc/77/85/97/396778597.db2.gz IZKXJHHEUZOSBU-CQSZACIVSA-N 0 0 313.375 0.849 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000617496252 396739980 /nfs/dbraw/zinc/73/99/80/396739980.db2.gz WFDUPMFIJIJACR-ZDUSSCGKSA-N 0 0 301.346 0.169 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000617499133 396741311 /nfs/dbraw/zinc/74/13/11/396741311.db2.gz WALBHFHOVJYZDD-LBPRGKRZSA-N 0 0 303.362 0.605 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C[C@H](O)CC(F)(F)F)C1 ZINC000375483271 396756727 /nfs/dbraw/zinc/75/67/27/396756727.db2.gz LDXVYQFEYFIXHQ-BDAKNGLRSA-N 0 0 304.334 0.313 10 0 DCAERN CC(=O)CCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000629438393 396760394 /nfs/dbraw/zinc/76/03/94/396760394.db2.gz DHJBPIFHCGHIKY-OAHLLOKOSA-N 0 0 305.378 0.768 10 0 DCAERN COC(=O)CN1CCN(c2ncncc2Br)CC1 ZINC000610764500 396762205 /nfs/dbraw/zinc/76/22/05/396762205.db2.gz HUICKCLIZVFCBA-UHFFFAOYSA-N 0 0 315.171 0.534 10 0 DCAERN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037236 396762906 /nfs/dbraw/zinc/76/29/06/396762906.db2.gz PJWVQALNBHDTIC-CABCVRRESA-N 0 0 317.389 0.140 10 0 DCAERN O=C(NCC[C@H](O)C(F)F)c1cnc2sccn2c1=O ZINC000633992774 396764952 /nfs/dbraw/zinc/76/49/52/396764952.db2.gz DOMXNSXKWNKAOG-ZETCQYMHSA-N 0 0 303.290 0.502 10 0 DCAERN O=C(CN1CSCC1=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634239336 396818782 /nfs/dbraw/zinc/81/87/82/396818782.db2.gz MUPBBHIGMMDSPZ-JGVFFNPUSA-N 0 0 312.313 0.149 10 0 DCAERN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)Cn1cncn1 ZINC000611453155 396867981 /nfs/dbraw/zinc/86/79/81/396867981.db2.gz GKWDJJUSZBKJLX-NSHDSACASA-N 0 0 312.370 0.531 10 0 DCAERN NC(=O)c1noc([C@H]2CCCN2Cc2ccc(CO)cc2)n1 ZINC000328625362 396824640 /nfs/dbraw/zinc/82/46/40/396824640.db2.gz DBDNBHDEGKGKHF-GFCCVEGCSA-N 0 0 302.334 0.998 10 0 DCAERN CCOc1cc(N2CCC[C@@H]2c2nc(C(N)=O)no2)ncn1 ZINC000328619355 396825049 /nfs/dbraw/zinc/82/50/49/396825049.db2.gz FTYOAPQULPXOLH-MRVPVSSYSA-N 0 0 304.310 0.699 10 0 DCAERN CCn1cnnc1[C@H]1CN(C[C@@H](O)COCC(C)C)CCO1 ZINC000328653090 396831004 /nfs/dbraw/zinc/83/10/04/396831004.db2.gz WSXXBJXODJWYDM-ZIAGYGMSSA-N 0 0 312.414 0.705 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@](C)(CO)Cc2ccc(F)cc2)C1 ZINC000634295989 396835221 /nfs/dbraw/zinc/83/52/21/396835221.db2.gz LGTAYPDOHPJNQZ-INIZCTEOSA-N 0 0 308.353 0.714 10 0 DCAERN C[C@@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)S(C)(=O)=O ZINC000375904161 396840669 /nfs/dbraw/zinc/84/06/69/396840669.db2.gz QHSXPOVQDMOCLC-VIFPVBQESA-N 0 0 301.339 0.289 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCNC(=O)CC3)[C@@H]2C1 ZINC000564635364 396848625 /nfs/dbraw/zinc/84/86/25/396848625.db2.gz UYHJLNPPZGCQHZ-MJBXVCDLSA-N 0 0 322.409 0.165 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000375733886 396807822 /nfs/dbraw/zinc/80/78/22/396807822.db2.gz LPLVQURIMYKRIO-CZUORRHYSA-N 0 0 320.414 0.856 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000375733887 396808694 /nfs/dbraw/zinc/80/86/94/396808694.db2.gz LPLVQURIMYKRIO-XJKSGUPXSA-N 0 0 320.414 0.856 10 0 DCAERN CN(CCC(=O)N1CC(n2ccnn2)C1)C(=O)OC(C)(C)C ZINC000376048030 396867510 /nfs/dbraw/zinc/86/75/10/396867510.db2.gz ZRHFYAFLKOPEAY-UHFFFAOYSA-N 0 0 309.370 0.918 10 0 DCAERN O=C(CCCn1ccnc1)NCCCN1CCCS1(=O)=O ZINC000591178571 396884501 /nfs/dbraw/zinc/88/45/01/396884501.db2.gz FSRHPZPOWUYGKL-UHFFFAOYSA-N 0 0 314.411 0.205 10 0 DCAERN Cn1ccc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000332750952 396892045 /nfs/dbraw/zinc/89/20/45/396892045.db2.gz AEHQJLQMTAWIBL-KGLIPLIRSA-N 0 0 307.398 0.077 10 0 DCAERN COC(=O)[C@H](NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614294 396896263 /nfs/dbraw/zinc/89/62/63/396896263.db2.gz GOBKWTZSLOMTHY-HFAKWTLXSA-N 0 0 309.366 0.248 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333105703 396918150 /nfs/dbraw/zinc/91/81/50/396918150.db2.gz DBIBDCXDDJVZSF-WRWGMCAJSA-N 0 0 307.437 0.624 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@@]12CCOC2 ZINC000333121810 396918884 /nfs/dbraw/zinc/91/88/84/396918884.db2.gz GQPMDFMHMWQFMD-RQJABVFESA-N 0 0 301.408 0.996 10 0 DCAERN COC(=O)c1cc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)oc1C ZINC000376630535 396955706 /nfs/dbraw/zinc/95/57/06/396955706.db2.gz XEXYENYXVFPFQI-JTQLQIEISA-N 0 0 323.349 0.782 10 0 DCAERN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625736768 396990584 /nfs/dbraw/zinc/99/05/84/396990584.db2.gz IOHXFZHMJAFHJN-BMYFTYEUSA-N 0 0 311.426 0.644 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCN1S(C)(=O)=O ZINC000618675685 397009588 /nfs/dbraw/zinc/00/95/88/397009588.db2.gz GLAJZTCEVKVLGQ-SECBINFHSA-N 0 0 317.798 0.841 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C)CCOCC1 ZINC000618756656 397024355 /nfs/dbraw/zinc/02/43/55/397024355.db2.gz UGQBZWOCCVDIFA-QWRGUYRKSA-N 0 0 314.382 0.376 10 0 DCAERN O=C(CN1CCC[C@@]2(C1)NC(=O)NC2=O)NC1CCCCCC1 ZINC000377295736 397063293 /nfs/dbraw/zinc/06/32/93/397063293.db2.gz BDKFASNTFHGEJT-INIZCTEOSA-N 0 0 322.409 0.499 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@@H](CC(N)=O)C2)c1C ZINC000626079239 397070439 /nfs/dbraw/zinc/07/04/39/397070439.db2.gz BERHEWJLKJPUEP-LBPRGKRZSA-N 0 0 321.377 0.593 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)c3ccccc32)[C@@H](C)C1 ZINC000626138077 397086957 /nfs/dbraw/zinc/08/69/57/397086957.db2.gz ICQCGJGDYSGCKV-XHDPSFHLSA-N 0 0 315.373 0.593 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000630574118 397050073 /nfs/dbraw/zinc/05/00/73/397050073.db2.gz OHMNZTAQWVKKNQ-CQSZACIVSA-N 0 0 319.405 0.959 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000626420519 397158748 /nfs/dbraw/zinc/15/87/48/397158748.db2.gz HYJBDLNHZXLKNB-IUODEOHRSA-N 0 0 316.357 0.720 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCOC(C)C ZINC000626446943 397163286 /nfs/dbraw/zinc/16/32/86/397163286.db2.gz PIAUOOHSECRMSE-UHFFFAOYSA-N 0 0 315.414 0.337 10 0 DCAERN c1c(C[NH2+]CCN2CCSCC2)nnn1C[C@@H]1CCOC1 ZINC000631069957 397164582 /nfs/dbraw/zinc/16/45/82/397164582.db2.gz JPDIOZKCWIPNLU-ZDUSSCGKSA-N 0 0 311.455 0.453 10 0 DCAERN c1ncn2c1CN(c1cncc(N3CCn4cncc4C3)n1)CC2 ZINC000573618777 397188047 /nfs/dbraw/zinc/18/80/47/397188047.db2.gz XFJDDLQWLWYCMS-UHFFFAOYSA-N 0 0 322.376 0.910 10 0 DCAERN Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCNC(=O)CC1 ZINC000574241072 397247878 /nfs/dbraw/zinc/24/78/78/397247878.db2.gz QAMFBZFYHKAQPT-CYBMUJFWSA-N 0 0 313.361 0.818 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000364380208 397192048 /nfs/dbraw/zinc/19/20/48/397192048.db2.gz WABIRFAWUHPLPE-PWSUYJOCSA-N 0 0 300.424 0.917 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCC2([S@](C)=O)CCC2)C1=O ZINC000619801866 397195207 /nfs/dbraw/zinc/19/52/07/397195207.db2.gz FEIZUPXHOMQNPF-SBKAZYGRSA-N 0 0 301.412 0.208 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@H]2COCCN2C)cn1 ZINC000626590013 397199366 /nfs/dbraw/zinc/19/93/66/397199366.db2.gz UTKQSXRCGIPIEC-ZDUSSCGKSA-N 0 0 321.381 0.516 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)NCC2=CCOCC2)C1 ZINC000573954028 397223271 /nfs/dbraw/zinc/22/32/71/397223271.db2.gz QNFOWMMMFVIOIN-NEPJUHHUSA-N 0 0 307.354 0.623 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)C2CCN(c3cnccn3)CC2)C1 ZINC000364605282 397226469 /nfs/dbraw/zinc/22/64/69/397226469.db2.gz FTYKVHWQSSBIHX-UHFFFAOYSA-N 0 0 317.393 0.382 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3COC[C@@H]3C2)cs1 ZINC000620152750 397245321 /nfs/dbraw/zinc/24/53/21/397245321.db2.gz BLNBEZTXFASDAB-WPRPVWTQSA-N 0 0 316.404 0.504 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000385769243 397285148 /nfs/dbraw/zinc/28/51/48/397285148.db2.gz YMSNFQXYQDXDGM-NWDGAFQWSA-N 0 0 301.412 0.818 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@H](CC(F)(F)F)C2)nn1 ZINC000620776032 397302009 /nfs/dbraw/zinc/30/20/09/397302009.db2.gz BVVFOUSCKQAILU-SECBINFHSA-N 0 0 320.271 0.661 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365793095 397317289 /nfs/dbraw/zinc/31/72/89/397317289.db2.gz DOOQYGXHVHRIRT-RYUDHWBXSA-N 0 0 317.455 0.399 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000613718966 397307808 /nfs/dbraw/zinc/30/78/08/397307808.db2.gz NVRVWRLTQLBNMR-VXGBXAGGSA-N 0 0 322.427 0.614 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1COc2c1cccc2Cl ZINC000365747504 397310541 /nfs/dbraw/zinc/31/05/41/397310541.db2.gz VEIBFTWDSOOTAV-LLVKDONJSA-N 0 0 310.737 0.749 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)C1 ZINC000396702506 397312203 /nfs/dbraw/zinc/31/22/03/397312203.db2.gz JCGVBOBUWHVTQX-UTUOFQBUSA-N 0 0 303.428 0.467 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)CC(=O)N1C ZINC000407950522 397333998 /nfs/dbraw/zinc/33/39/98/397333998.db2.gz AITGVITWANXNPO-CFMSYZGJSA-N 0 0 301.412 0.160 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)C1CCCC1 ZINC000407958088 397337007 /nfs/dbraw/zinc/33/70/07/397337007.db2.gz PHUYNDLCCRXOHO-HNNXBMFYSA-N 0 0 307.394 0.515 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CCN(C2CC2)C(=O)C1 ZINC000407958489 397337127 /nfs/dbraw/zinc/33/71/27/397337127.db2.gz RPTXWGDWCDNARL-UHFFFAOYSA-N 0 0 307.394 0.612 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407971698 397342680 /nfs/dbraw/zinc/34/26/80/397342680.db2.gz QMJCCNZJOABXFF-STQMWFEESA-N 0 0 309.410 0.857 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)C1CCOCC1 ZINC000407996278 397343789 /nfs/dbraw/zinc/34/37/89/397343789.db2.gz CPGKGSGAGXJBFE-WCQYABFASA-N 0 0 318.439 0.589 10 0 DCAERN C=C/C(C)=C/CC(=O)Nc1nc(C)n(C)c1C(=O)NCCO ZINC000613984196 397356697 /nfs/dbraw/zinc/35/66/97/397356697.db2.gz WRGIYIHSAYEFJS-UXBLZVDNSA-N 0 0 306.366 0.912 10 0 DCAERN CC(C)[C@H](O)CN1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000366586674 397382911 /nfs/dbraw/zinc/38/29/11/397382911.db2.gz AMRAUYSRBRQLPE-CHWSQXEVSA-N 0 0 321.381 0.860 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCn2cncc2C1 ZINC000365806942 397320663 /nfs/dbraw/zinc/32/06/63/397320663.db2.gz UZHUFXXGTRYFOP-JTQLQIEISA-N 0 0 300.322 0.002 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593710466 397431058 /nfs/dbraw/zinc/43/10/58/397431058.db2.gz HJSZAGISFQBNPF-UTWWPYJBSA-N 0 0 320.370 0.560 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@]1(CO)CC(C)C ZINC000370213845 397456631 /nfs/dbraw/zinc/45/66/31/397456631.db2.gz YBRPYEQIERNQKY-SQWLQELKSA-N 0 0 312.410 0.368 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC(=O)N(C)C3)[C@@H]2C1 ZINC000578161244 397398522 /nfs/dbraw/zinc/39/85/22/397398522.db2.gz CMYIZAAJRSNYDP-XQQFMLRXSA-N 0 0 308.382 0.075 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000614236367 397403810 /nfs/dbraw/zinc/40/38/10/397403810.db2.gz UFAAKRMCNHRPDX-AWEZNQCLSA-N 0 0 314.349 0.920 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1(C)C ZINC000578279144 397414632 /nfs/dbraw/zinc/41/46/32/397414632.db2.gz GWCHKINVXDFRKH-YNEHKIRRSA-N 0 0 310.394 0.554 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000487096006 397466430 /nfs/dbraw/zinc/46/64/30/397466430.db2.gz MOJLTUNHTDBFEP-WDEREUQCSA-N 0 0 324.352 0.941 10 0 DCAERN Cn1cc([C@H](NC(=O)c2ccc(=O)n(C)n2)C(F)(F)F)cn1 ZINC000487732407 397477108 /nfs/dbraw/zinc/47/71/08/397477108.db2.gz ROVVZXDHRZVKPF-JTQLQIEISA-N 0 0 315.255 0.547 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)COC(C)(C)C ZINC000488301536 397489354 /nfs/dbraw/zinc/48/93/54/397489354.db2.gz WCEVWZXTWHXQDW-ZJUUUORDSA-N 0 0 302.371 0.374 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCCn2ccnc2)CC1 ZINC000614647330 397489789 /nfs/dbraw/zinc/48/97/89/397489789.db2.gz YXNLESIAIVCPPJ-UHFFFAOYSA-N 0 0 322.409 0.759 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCCCCO)c1 ZINC000488329043 397490496 /nfs/dbraw/zinc/49/04/96/397490496.db2.gz GBQDQNHQWDUVIN-UHFFFAOYSA-N 0 0 301.368 0.489 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000370510467 397495916 /nfs/dbraw/zinc/49/59/16/397495916.db2.gz ZOVIXVZNDRZVLF-RWMBFGLXSA-N 0 0 305.378 0.970 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000370455981 397487683 /nfs/dbraw/zinc/48/76/83/397487683.db2.gz VKAOBBQYTZAINZ-HUUCEWRRSA-N 0 0 314.345 0.793 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000578976741 397507285 /nfs/dbraw/zinc/50/72/85/397507285.db2.gz ACRKFVSXHRCMRF-VHSXEESVSA-N 0 0 317.345 0.753 10 0 DCAERN NC(=O)NC1(C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000579459734 397568872 /nfs/dbraw/zinc/56/88/72/397568872.db2.gz ZYKZECXRGCQEJC-ZDUSSCGKSA-N 0 0 319.361 0.494 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCCC[C@H]1C(=O)OC ZINC000603269775 397591356 /nfs/dbraw/zinc/59/13/56/397591356.db2.gz ZNAYGPDMIFDJBB-NSHDSACASA-N 0 0 309.384 0.005 10 0 DCAERN COC(=O)c1ccnc(N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000603407946 397607661 /nfs/dbraw/zinc/60/76/61/397607661.db2.gz JLUBGWMBKRVQSQ-UWVGGRQHSA-N 0 0 300.336 0.092 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604578444 397644569 /nfs/dbraw/zinc/64/45/69/397644569.db2.gz XPUNUCCFVCOTRV-BDAKNGLRSA-N 0 0 315.370 0.928 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)Cn1cncn1 ZINC000608425382 397729657 /nfs/dbraw/zinc/72/96/57/397729657.db2.gz YPTVWQXGXMULES-QWRGUYRKSA-N 0 0 319.413 0.947 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CCSC1 ZINC000608421372 397729667 /nfs/dbraw/zinc/72/96/67/397729667.db2.gz ZHLCILXOOJOSKX-JTQLQIEISA-N 0 0 307.441 0.217 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)N[C@H]3CC3(C)C)CC2)n1C ZINC000606973012 397692236 /nfs/dbraw/zinc/69/22/36/397692236.db2.gz VHQAYIULRYDQJL-LBPRGKRZSA-N 0 0 306.414 0.749 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cn1 ZINC000608490208 397734093 /nfs/dbraw/zinc/73/40/93/397734093.db2.gz NMRGZPODWJWFMU-DMDPSCGWSA-N 0 0 321.381 0.660 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NCc2cn3ccsc3n2)CCO1 ZINC000609139150 397761935 /nfs/dbraw/zinc/76/19/35/397761935.db2.gz KMJAGWVMGRPWBP-JTQLQIEISA-N 0 0 324.362 0.479 10 0 DCAERN O=c1cc(N2CCS(=O)CC2)cnn1Cc1ccccc1 ZINC000610211016 397805932 /nfs/dbraw/zinc/80/59/32/397805932.db2.gz RQJMRNWELYOOAU-UHFFFAOYSA-N 0 0 303.387 0.860 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccncc1Cl ZINC000608585616 397738647 /nfs/dbraw/zinc/73/86/47/397738647.db2.gz SXLJHWOLBXOFKF-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000610499499 397826847 /nfs/dbraw/zinc/82/68/47/397826847.db2.gz NEFIOJUGFGAMJR-RYUDHWBXSA-N 0 0 308.378 0.799 10 0 DCAERN COC1(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)CCOCC1 ZINC000154900939 545842484 /nfs/dbraw/zinc/84/24/84/545842484.db2.gz XNYHBUCYWFQJNU-ZDUSSCGKSA-N 0 0 312.410 0.945 10 0 DCAERN CCOCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCC1 ZINC000366149795 286040551 /nfs/dbraw/zinc/04/05/51/286040551.db2.gz MSGZMKCMWQZZFG-INIZCTEOSA-N 0 0 323.393 0.784 10 0 DCAERN COc1cc2c(c([C@@H]3NC(=O)[C@H]4COCCN43)c1)O[C@H](C)C2 ZINC000093883412 286252145 /nfs/dbraw/zinc/25/21/45/286252145.db2.gz FFAOXRMTBPBAMG-XXLQHYSLSA-N 0 0 304.346 0.848 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)N2CCOCC2)(C(=O)OC)C1(C)C ZINC000444277420 286504954 /nfs/dbraw/zinc/50/49/54/286504954.db2.gz LWKHDLDFMFOORV-XHDPSFHLSA-N 0 0 314.382 0.775 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000047953092 158005500 /nfs/dbraw/zinc/00/55/00/158005500.db2.gz MMODUOZELPJNOF-GMTAPVOTSA-N 0 0 308.400 0.081 10 0 DCAERN C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000048672962 158007591 /nfs/dbraw/zinc/00/75/91/158007591.db2.gz ATBIDPRSRFVCKL-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC(c2nc(C)no2)CC1 ZINC000053455140 158018119 /nfs/dbraw/zinc/01/81/19/158018119.db2.gz SUKVCVSXOJHRBN-UHFFFAOYSA-N 0 0 301.368 0.519 10 0 DCAERN COCCNC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000064565293 158033000 /nfs/dbraw/zinc/03/30/00/158033000.db2.gz VVXOIJHOFCPNIP-UHFFFAOYSA-N 0 0 304.306 0.746 10 0 DCAERN CCn1c2ccccc2n(CC(=O)N2CCNC(=O)CC2)c1=O ZINC000065902815 158034088 /nfs/dbraw/zinc/03/40/88/158034088.db2.gz LPXQZHSHDOJOHG-UHFFFAOYSA-N 0 0 316.361 0.171 10 0 DCAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCNC(=O)CC1 ZINC000065901698 158034619 /nfs/dbraw/zinc/03/46/19/158034619.db2.gz IDHPLNKUALWHFY-UHFFFAOYSA-N 0 0 300.309 0.786 10 0 DCAERN O=C(Nc1ccc(C(=O)N2CCNC(=O)CC2)cc1)C1CC1 ZINC000065901694 158034850 /nfs/dbraw/zinc/03/48/50/158034850.db2.gz GFXTXPYTIBPSTK-UHFFFAOYSA-N 0 0 301.346 0.997 10 0 DCAERN C[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)Cn1cccn1 ZINC000075788209 158063475 /nfs/dbraw/zinc/06/34/75/158063475.db2.gz CYWBWYJMRLLGPU-LLVKDONJSA-N 0 0 322.390 0.597 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3[C@H](C)COC[C@@H]3C)nc2n1 ZINC000076364975 158064471 /nfs/dbraw/zinc/06/44/71/158064471.db2.gz IKKHPMFXQNINSK-TXEJJXNPSA-N 0 0 303.366 0.919 10 0 DCAERN NC(=O)Cc1ccc(NC(=O)Cn2c3ccccc3[nH]c2=O)cc1 ZINC000076946464 158066666 /nfs/dbraw/zinc/06/66/66/158066666.db2.gz DRKVPDQERAEESK-UHFFFAOYSA-N 0 0 324.340 0.996 10 0 DCAERN O=C(Nc1nncs1)N(CCO)CCOCC(F)(F)F ZINC000078671472 158073868 /nfs/dbraw/zinc/07/38/68/158073868.db2.gz FOWOUYYYHNPVLM-UHFFFAOYSA-N 0 0 314.289 0.943 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CCC1=O ZINC000078982336 158076117 /nfs/dbraw/zinc/07/61/17/158076117.db2.gz MIIOQTXXGLPDBQ-MNOVXSKESA-N 0 0 310.398 0.306 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000078962438 158076263 /nfs/dbraw/zinc/07/62/63/158076263.db2.gz BMSYTIHJYMQCKW-CYBMUJFWSA-N 0 0 319.471 0.758 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000081579056 158085402 /nfs/dbraw/zinc/08/54/02/158085402.db2.gz RWFBPIZADOOPCR-MNOVXSKESA-N 0 0 312.395 0.362 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NCCc1cc(F)ccc1F ZINC000083176675 158087808 /nfs/dbraw/zinc/08/78/08/158087808.db2.gz ZRMKOVYHZFJJFA-UHFFFAOYSA-N 0 0 321.349 0.356 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085988059 158089528 /nfs/dbraw/zinc/08/95/28/158089528.db2.gz XSSGBEHYVSKYOT-RYUDHWBXSA-N 0 0 301.412 0.866 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C)Cc1ccc(F)cc1 ZINC000088768266 158094783 /nfs/dbraw/zinc/09/47/83/158094783.db2.gz BWVZKAMHEJUHBP-UHFFFAOYSA-N 0 0 318.370 0.997 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)C(C)C ZINC000088787160 158095513 /nfs/dbraw/zinc/09/55/13/158095513.db2.gz PYKOVEZNQJOGKW-SNVBAGLBSA-N 0 0 301.416 0.850 10 0 DCAERN C[C@@](O)(CO)CNC(=O)Cc1cccc(Br)c1 ZINC000090287260 158103950 /nfs/dbraw/zinc/10/39/50/158103950.db2.gz MEDGCZCTOIFCTG-LBPRGKRZSA-N 0 0 302.168 0.851 10 0 DCAERN COC(=O)[C@@H](C)CN(C)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091053901 158106301 /nfs/dbraw/zinc/10/63/01/158106301.db2.gz NUCYIYADTKRPFW-NSHDSACASA-N 0 0 317.345 0.884 10 0 DCAERN CCc1nnc(CSCCCNS(=O)(=O)CC)n1C ZINC000091037208 158106320 /nfs/dbraw/zinc/10/63/20/158106320.db2.gz LKKCWEJJYZMLMV-UHFFFAOYSA-N 0 0 306.457 0.940 10 0 DCAERN COCCN(C(=O)N[C@@H](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000091205035 158107783 /nfs/dbraw/zinc/10/77/83/158107783.db2.gz JZJMTDDGFUFLNH-RYUDHWBXSA-N 0 0 306.428 0.876 10 0 DCAERN Cc1ccccc1-n1cc(C(=O)N2CCOC[C@H]2C(N)=O)cn1 ZINC000091784493 158109850 /nfs/dbraw/zinc/10/98/50/158109850.db2.gz XOZHEZLGSNENTP-AWEZNQCLSA-N 0 0 314.345 0.507 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(=O)[nH]c1C ZINC000092279976 158111957 /nfs/dbraw/zinc/11/19/57/158111957.db2.gz CEFUGXLRZNHGLD-LLVKDONJSA-N 0 0 316.365 0.535 10 0 DCAERN Cn1cc(C(=O)NC[C@@H]2CN3CCN2CC3)c(C(C)(C)C)n1 ZINC000092282981 158112624 /nfs/dbraw/zinc/11/26/24/158112624.db2.gz UYOQUMSUNQBKKA-GFCCVEGCSA-N 0 0 305.426 0.447 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cscn2)C1 ZINC000092483737 158113872 /nfs/dbraw/zinc/11/38/72/158113872.db2.gz SUHQVZQMWDPYSQ-SNVBAGLBSA-N 0 0 318.424 0.366 10 0 DCAERN C[C@@H](NS(=O)(=O)CC1CCCCC1)C(=O)N1CCOCC1 ZINC000101575116 158127172 /nfs/dbraw/zinc/12/71/72/158127172.db2.gz CCZVGWOMXZEODK-GFCCVEGCSA-N 0 0 318.439 0.733 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCC[C@H](NC(C)=O)C2)CCCC1 ZINC000098099159 158127484 /nfs/dbraw/zinc/12/74/84/158127484.db2.gz QOLXFGBINVGUBO-ZDUSSCGKSA-N 0 0 324.425 0.745 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816474 158131056 /nfs/dbraw/zinc/13/10/56/158131056.db2.gz DSXIKQXGYRBZJH-UHFFFAOYSA-N 0 0 319.409 0.820 10 0 DCAERN CC(C)n1nnnc1CN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263103 158146251 /nfs/dbraw/zinc/14/62/51/158146251.db2.gz JNTPGLKWQOBMGW-JTQLQIEISA-N 0 0 301.416 0.652 10 0 DCAERN CN(C)C(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114515860 158154382 /nfs/dbraw/zinc/15/43/82/158154382.db2.gz ZRQSXDWGBASHJL-CYBMUJFWSA-N 0 0 318.377 0.569 10 0 DCAERN NC(=O)c1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000114855194 158157990 /nfs/dbraw/zinc/15/79/90/158157990.db2.gz PNKNAVUNWMIJCZ-AWEZNQCLSA-N 0 0 303.362 0.379 10 0 DCAERN CCOC(=O)CCCNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114931479 158160401 /nfs/dbraw/zinc/16/04/01/158160401.db2.gz HZUIDDGELPWWFW-LLVKDONJSA-N 0 0 323.397 0.798 10 0 DCAERN CN1CCN(C(=O)Cn2cc(NC(=O)CCC3CC3)cn2)CC1 ZINC000115369977 158161437 /nfs/dbraw/zinc/16/14/37/158161437.db2.gz MPDBQPSGTRUNCJ-UHFFFAOYSA-N 0 0 319.409 0.786 10 0 DCAERN COc1cc(F)ccc1N1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000115550546 158162677 /nfs/dbraw/zinc/16/26/77/158162677.db2.gz NNKHJDPZYXBPQB-SNVBAGLBSA-N 0 0 324.356 0.540 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000117275152 158169636 /nfs/dbraw/zinc/16/96/36/158169636.db2.gz MJCZHZGQLMVYIR-ZDUSSCGKSA-N 0 0 319.405 0.968 10 0 DCAERN COCCN1CCN(C(=O)CCCc2nc(C)no2)C[C@H]1C ZINC000117292743 158170196 /nfs/dbraw/zinc/17/01/96/158170196.db2.gz YLNZRVXOXGVSHB-GFCCVEGCSA-N 0 0 310.398 0.880 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000117369565 158171490 /nfs/dbraw/zinc/17/14/90/158171490.db2.gz FQTDGDJIAPPBOP-KBPBESRZSA-N 0 0 320.455 0.538 10 0 DCAERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@H]1C)[C@H]1CC(=O)NC1=O ZINC000117776417 158173430 /nfs/dbraw/zinc/17/34/30/158173430.db2.gz SXVQYBUUBBESBI-OLUVUFQESA-N 0 0 302.330 0.815 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCNC(=O)C2CC2)c1 ZINC000117904179 158174431 /nfs/dbraw/zinc/17/44/31/158174431.db2.gz XYEMVKAJKMDVGS-UHFFFAOYSA-N 0 0 312.391 0.641 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCCO1 ZINC000119333911 158184872 /nfs/dbraw/zinc/18/48/72/158184872.db2.gz GKDULXRRXIWYAY-OAHLLOKOSA-N 0 0 316.365 0.342 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C1 ZINC000119570435 158188625 /nfs/dbraw/zinc/18/86/25/158188625.db2.gz DOXKWKVQLNQFNB-LLVKDONJSA-N 0 0 303.428 0.693 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000119512963 158189369 /nfs/dbraw/zinc/18/93/69/158189369.db2.gz JXLZZPLVRYWGIA-LLVKDONJSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2(O)CCCC2)C[C@H](C)O1 ZINC000119909536 158190291 /nfs/dbraw/zinc/19/02/91/158190291.db2.gz AGEHEIWQSDVSHU-TXEJJXNPSA-N 0 0 306.428 0.577 10 0 DCAERN CSCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120101900 158193441 /nfs/dbraw/zinc/19/34/41/158193441.db2.gz YGTGJTBVPUPFGC-LLVKDONJSA-N 0 0 306.453 0.766 10 0 DCAERN O=C(c1cnsn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120122026 158193595 /nfs/dbraw/zinc/19/35/95/158193595.db2.gz USCHZFOUEGFHTN-VIFPVBQESA-N 0 0 316.408 0.178 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120270852 158197120 /nfs/dbraw/zinc/19/71/20/158197120.db2.gz LGDIVTWKIWRUOC-LLVKDONJSA-N 0 0 317.349 0.853 10 0 DCAERN Cc1cc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n[nH]1 ZINC000120494506 158199707 /nfs/dbraw/zinc/19/97/07/158199707.db2.gz OPIFVBVEQFPPIH-LBPRGKRZSA-N 0 0 302.382 0.779 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000121671538 158212534 /nfs/dbraw/zinc/21/25/34/158212534.db2.gz QRGFAAGDLBABFO-HNNXBMFYSA-N 0 0 309.414 0.259 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC000121866355 158216882 /nfs/dbraw/zinc/21/68/82/158216882.db2.gz VFUONOUDNUYZAD-KGLIPLIRSA-N 0 0 320.455 0.996 10 0 DCAERN Cn1ncc(C(=O)Nc2ccc(C(N)=O)nc2)c1-n1cccc1 ZINC000122612125 158222683 /nfs/dbraw/zinc/22/26/83/158222683.db2.gz TWJIWLSWSCJYDD-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000123328770 158229228 /nfs/dbraw/zinc/22/92/28/158229228.db2.gz PVQSFOVHQWCPKQ-ZDUSSCGKSA-N 0 0 307.460 0.352 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN([C@H](CC)CO)CC1 ZINC000123328969 158229294 /nfs/dbraw/zinc/22/92/94/158229294.db2.gz PVQSFOVHQWCPKQ-CYBMUJFWSA-N 0 0 307.460 0.352 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000123408260 158230450 /nfs/dbraw/zinc/23/04/50/158230450.db2.gz CLQXXIXBKHFPOY-UHFFFAOYSA-N 0 0 321.425 0.910 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC000123728243 158232485 /nfs/dbraw/zinc/23/24/85/158232485.db2.gz ZVZIPHJEHYZYMC-CQSZACIVSA-N 0 0 319.405 0.170 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)C2=NNC(=O)CC2)cn1 ZINC000123912441 158235340 /nfs/dbraw/zinc/23/53/40/158235340.db2.gz SMUBFSXLVYJSSW-UHFFFAOYSA-N 0 0 312.333 0.458 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC000124941412 158249884 /nfs/dbraw/zinc/24/98/84/158249884.db2.gz BVZNQEQYZNKGDP-ZIAGYGMSSA-N 0 0 319.409 0.660 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CCCCO3)CC2)no1 ZINC000125025847 158250888 /nfs/dbraw/zinc/25/08/88/158250888.db2.gz SRVRPMFGSQHBQS-CYBMUJFWSA-N 0 0 308.382 0.981 10 0 DCAERN CC[C@@H]1CN(C(=O)CCn2cncn2)CCN1CC(F)F ZINC000125616813 158258234 /nfs/dbraw/zinc/25/82/34/158258234.db2.gz YNWRIEWAHKUFCS-LLVKDONJSA-N 0 0 301.341 0.856 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000126250395 158263518 /nfs/dbraw/zinc/26/35/18/158263518.db2.gz LTOYPXMPGXUEHB-UHFFFAOYSA-N 0 0 307.325 0.150 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000126652342 158266309 /nfs/dbraw/zinc/26/63/09/158266309.db2.gz DKXYYCDPLJREOS-LBPRGKRZSA-N 0 0 323.418 0.971 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCOc1ncccc1Cl ZINC000126903976 158269152 /nfs/dbraw/zinc/26/91/52/158269152.db2.gz IMRDGRXMROCPAS-UHFFFAOYSA-N 0 0 322.752 0.981 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000127075156 158269922 /nfs/dbraw/zinc/26/99/22/158269922.db2.gz VFLHFTRCSNIRRS-JTQLQIEISA-N 0 0 315.337 0.392 10 0 DCAERN Cc1cnn(CCNC(=O)NCCCOC[C@H]2CCOC2)c1 ZINC000127286666 158273098 /nfs/dbraw/zinc/27/30/98/158273098.db2.gz ZYSDPZSNFMXSAV-CQSZACIVSA-N 0 0 310.398 0.934 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127423330 158273225 /nfs/dbraw/zinc/27/32/25/158273225.db2.gz DPJNGNSVPZWQNG-WFASDCNBSA-N 0 0 305.378 0.828 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000128449240 158280968 /nfs/dbraw/zinc/28/09/68/158280968.db2.gz FKMYICKOKFYFAD-JSGCOSHPSA-N 0 0 306.362 0.890 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000129030698 158284660 /nfs/dbraw/zinc/28/46/60/158284660.db2.gz WTICHJSUNOKIIK-LLVKDONJSA-N 0 0 314.411 0.655 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H]1CCO[C@@H]1C)N1CCCS1(=O)=O ZINC000129818690 158291207 /nfs/dbraw/zinc/29/12/07/158291207.db2.gz FTKNMDBDZQSPAO-GRYCIOLGSA-N 0 0 304.412 0.340 10 0 DCAERN Cc1nccn1CCCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000130289901 158294359 /nfs/dbraw/zinc/29/43/59/158294359.db2.gz RQJZYRBGSAASMW-UHFFFAOYSA-N 0 0 321.381 0.418 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)cn1 ZINC000130731336 158296908 /nfs/dbraw/zinc/29/69/08/158296908.db2.gz IGXGVDKTLSADDL-LBPRGKRZSA-N 0 0 301.350 0.507 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCNC(=O)CC1 ZINC000131932143 158306454 /nfs/dbraw/zinc/30/64/54/158306454.db2.gz DBDOAJBLEWSRBS-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000132711092 158312609 /nfs/dbraw/zinc/31/26/09/158312609.db2.gz IZYJSZKIDRJNBO-QWRGUYRKSA-N 0 0 311.407 0.687 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000133546800 158320751 /nfs/dbraw/zinc/32/07/51/158320751.db2.gz PUZOTUCCNJGPAU-BDAKNGLRSA-N 0 0 317.183 0.744 10 0 DCAERN Cc1cc2cc(NC(=O)C(=O)N3CCNC(=O)CC3)ccc2[nH]1 ZINC000133770955 158322139 /nfs/dbraw/zinc/32/21/39/158322139.db2.gz HRCVDRXOJHITQC-UHFFFAOYSA-N 0 0 314.345 0.763 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1CC ZINC000133972447 158323657 /nfs/dbraw/zinc/32/36/57/158323657.db2.gz XBBLGAKCJJMFEY-UHFFFAOYSA-N 0 0 322.409 0.881 10 0 DCAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000134364473 158327788 /nfs/dbraw/zinc/32/77/88/158327788.db2.gz BKBOLEKPCZFUEP-RDBSUJKOSA-N 0 0 322.409 0.023 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)C[C@H](C)O1 ZINC000134544136 158328766 /nfs/dbraw/zinc/32/87/66/158328766.db2.gz GLCYVCZGZVCXHL-BETUJISGSA-N 0 0 316.427 0.559 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cnn(C)c1C)CC2 ZINC000134854958 158331382 /nfs/dbraw/zinc/33/13/82/158331382.db2.gz QKBOBNYKOJSTOH-CYBMUJFWSA-N 0 0 316.409 0.946 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC000135018434 158331834 /nfs/dbraw/zinc/33/18/34/158331834.db2.gz ZTZFJHGHHVJABO-NSHDSACASA-N 0 0 311.386 0.935 10 0 DCAERN O=C(CCn1cncn1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135406682 158336099 /nfs/dbraw/zinc/33/60/99/158336099.db2.gz DFYUBNSIOKXZND-CQSZACIVSA-N 0 0 302.334 0.974 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)N1CCCCC1 ZINC000153429809 158349583 /nfs/dbraw/zinc/34/95/83/158349583.db2.gz PXIOTZJROOGCIT-NWDGAFQWSA-N 0 0 320.397 0.293 10 0 DCAERN CCN1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000156397545 158351721 /nfs/dbraw/zinc/35/17/21/158351721.db2.gz CKXKXDLEBYRSQY-UHFFFAOYSA-N 0 0 302.421 0.929 10 0 DCAERN CCn1cnc(S(=O)(=O)N(C)CC2(O)CCOCC2)c1 ZINC000162095958 158358683 /nfs/dbraw/zinc/35/86/83/158358683.db2.gz XWFQPEWEVMEMEY-UHFFFAOYSA-N 0 0 303.384 0.065 10 0 DCAERN Cc1cc[nH]c(=O)c1C(=O)NCCc1nnc2n1CCCC2 ZINC000166215454 158366431 /nfs/dbraw/zinc/36/64/31/158366431.db2.gz HFMZJVWJOQISQI-UHFFFAOYSA-N 0 0 301.350 0.996 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)ccc1C ZINC000166708385 158366796 /nfs/dbraw/zinc/36/67/96/158366796.db2.gz NCNFENKMTAQVPJ-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN CSCC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171323771 158382109 /nfs/dbraw/zinc/38/21/09/158382109.db2.gz BLEVXXADHUABPF-UHFFFAOYSA-N 0 0 313.467 0.943 10 0 DCAERN CN1CCO[C@H](CNC(=O)CNC(=O)CC2CCCCC2)C1 ZINC000171286441 158382477 /nfs/dbraw/zinc/38/24/77/158382477.db2.gz INLWACOVMJJXMX-CQSZACIVSA-N 0 0 311.426 0.520 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000171486894 158383206 /nfs/dbraw/zinc/38/32/06/158383206.db2.gz NWPBDNJJHALFDM-AAEUAGOBSA-N 0 0 307.394 0.515 10 0 DCAERN CCOC(=O)NCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000171599216 158384027 /nfs/dbraw/zinc/38/40/27/158384027.db2.gz YFGWGPHODHADLN-UHFFFAOYSA-N 0 0 323.397 0.201 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171870590 158387315 /nfs/dbraw/zinc/38/73/15/158387315.db2.gz AYDUBABBCMPJPH-GFCCVEGCSA-N 0 0 322.413 0.003 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000171838262 158387322 /nfs/dbraw/zinc/38/73/22/158387322.db2.gz WSSPJMXXKTYIHD-LBPRGKRZSA-N 0 0 300.355 0.866 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)n1cncn1 ZINC000171919431 158388778 /nfs/dbraw/zinc/38/87/78/158388778.db2.gz OVBYIMUPQBLZRE-ZJUUUORDSA-N 0 0 320.378 0.925 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000172104471 158390185 /nfs/dbraw/zinc/39/01/85/158390185.db2.gz KVJMZNHGUMXQFS-LLVKDONJSA-N 0 0 312.391 0.608 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1cccnc1N(C)C ZINC000172245809 158392321 /nfs/dbraw/zinc/39/23/21/158392321.db2.gz OLOYGDGPYNWNDB-JTQLQIEISA-N 0 0 314.411 0.380 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCOCCOC)CC2 ZINC000172310909 158392773 /nfs/dbraw/zinc/39/27/73/158392773.db2.gz HBUXFGMTJFGDBV-NSHDSACASA-N 0 0 311.386 0.118 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CN(C2CC2)CCO1 ZINC000172389440 158393967 /nfs/dbraw/zinc/39/39/67/158393967.db2.gz IDGRPYOQKMUQSU-KGLIPLIRSA-N 0 0 318.439 0.338 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCC(=O)NC1CCCCC1 ZINC000172530459 158394901 /nfs/dbraw/zinc/39/49/01/158394901.db2.gz XHSMGYVVYXQVEK-UHFFFAOYSA-N 0 0 318.377 0.377 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000172522679 158394991 /nfs/dbraw/zinc/39/49/91/158394991.db2.gz FHMSQUGACOWVJX-UHFFFAOYSA-N 0 0 314.227 0.587 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@H]1CCCOC1 ZINC000172559652 158395628 /nfs/dbraw/zinc/39/56/28/158395628.db2.gz DXLPLGSJPBAFIS-LBPRGKRZSA-N 0 0 316.317 0.970 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000172650773 158397775 /nfs/dbraw/zinc/39/77/75/158397775.db2.gz LTQSAJRGDDJXHB-MWLCHTKSSA-N 0 0 307.325 0.925 10 0 DCAERN Cc1nn(C)cc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000172772504 158399536 /nfs/dbraw/zinc/39/95/36/158399536.db2.gz UHUMENIKPZNMPN-UHFFFAOYSA-N 0 0 319.365 0.922 10 0 DCAERN COCCOC[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000173852845 158410549 /nfs/dbraw/zinc/41/05/49/158410549.db2.gz GRFNIDXPPUWEJU-KGLIPLIRSA-N 0 0 320.455 0.948 10 0 DCAERN CN(C)C(=O)CCNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174025502 158414504 /nfs/dbraw/zinc/41/45/04/158414504.db2.gz NOGPYANVKFHHRG-LBPRGKRZSA-N 0 0 322.413 0.166 10 0 DCAERN CC[C@@](C)(O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000174795940 158420583 /nfs/dbraw/zinc/42/05/83/158420583.db2.gz TWNROYSFNIKYIH-MRXNPFEDSA-N 0 0 308.426 0.909 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCc1ccc(C(N)=O)o1 ZINC000174983221 158423318 /nfs/dbraw/zinc/42/33/18/158423318.db2.gz JPHRJGOXIYIEFL-UHFFFAOYSA-N 0 0 315.329 0.733 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@@]1(O)CCSC1 ZINC000176926441 158443756 /nfs/dbraw/zinc/44/37/56/158443756.db2.gz JWCRKCYXXBAGQU-HNNXBMFYSA-N 0 0 308.403 0.709 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)no1 ZINC000177727932 158450525 /nfs/dbraw/zinc/45/05/25/158450525.db2.gz MXTGHXSUFWRRFW-WCQYABFASA-N 0 0 301.302 0.696 10 0 DCAERN C[C@H](NC(=O)NCCn1cccn1)c1nnc2n1CCCC2 ZINC000177873797 158451725 /nfs/dbraw/zinc/45/17/25/158451725.db2.gz RJWUXAHWPRCZDU-NSHDSACASA-N 0 0 303.370 0.871 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178686855 158461700 /nfs/dbraw/zinc/46/17/00/158461700.db2.gz VLBBXRGEMXZPRY-DZGCQCFKSA-N 0 0 311.403 0.832 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccccc1C)C(C)C ZINC000178722771 158462398 /nfs/dbraw/zinc/46/23/98/158462398.db2.gz VIXSIJSQBLBTDE-CQSZACIVSA-N 0 0 305.378 0.612 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H](C)C(=O)N(C)C ZINC000180802287 158480306 /nfs/dbraw/zinc/48/03/06/158480306.db2.gz RXIAQDDNVOLTHA-NSHDSACASA-N 0 0 309.414 0.745 10 0 DCAERN COCCCOCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000181043530 158483142 /nfs/dbraw/zinc/48/31/42/158483142.db2.gz GAPQISIMBKTTID-ZDUSSCGKSA-N 0 0 310.398 0.558 10 0 DCAERN CN(C(=O)NCC(=O)NCC1CC1)[C@H]1CCCc2c1cnn2C ZINC000183801265 158502192 /nfs/dbraw/zinc/50/21/92/158502192.db2.gz ACVNGBRRGBMWAX-ZDUSSCGKSA-N 0 0 319.409 0.965 10 0 DCAERN O=C(CCn1cncn1)N1CCN(c2cccs2)C(=O)C1 ZINC000184094837 158504977 /nfs/dbraw/zinc/50/49/77/158504977.db2.gz SWCMYEGSMUQHCY-UHFFFAOYSA-N 0 0 305.363 0.605 10 0 DCAERN CN(c1nncs1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000184976188 158512766 /nfs/dbraw/zinc/51/27/66/158512766.db2.gz LUGYIXNBWLZNJZ-UHFFFAOYSA-N 0 0 324.387 0.649 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CC2CCOCC2)C1)C1CCC1 ZINC000186173154 158527605 /nfs/dbraw/zinc/52/76/05/158527605.db2.gz YRTCBGLEWIPUDW-UHFFFAOYSA-N 0 0 316.423 0.343 10 0 DCAERN COCCCCS(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186185879 158528240 /nfs/dbraw/zinc/52/82/40/158528240.db2.gz QCWOVXKHAOMYHI-UHFFFAOYSA-N 0 0 304.412 0.343 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186204842 158528710 /nfs/dbraw/zinc/52/87/10/158528710.db2.gz DRWVRSXOTMFZRK-NWDGAFQWSA-N 0 0 318.377 0.745 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000188848771 158547962 /nfs/dbraw/zinc/54/79/62/158547962.db2.gz RXVKAIVJOHNDNI-VXGBXAGGSA-N 0 0 319.361 0.365 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000189013808 158548896 /nfs/dbraw/zinc/54/88/96/158548896.db2.gz BUSWCNQCUGHAFC-BRWVUGGUSA-N 0 0 316.401 0.984 10 0 DCAERN C[C@@H](O)CN(C(=O)Cn1ccc(=O)c2ccccc21)[C@@H](C)CO ZINC000189293826 158551238 /nfs/dbraw/zinc/55/12/38/158551238.db2.gz ZVUOJPGLMUNYNM-QWHCGFSZSA-N 0 0 318.373 0.592 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)[C@H](C)COC)CC2)[nH]1 ZINC000190488049 158560925 /nfs/dbraw/zinc/56/09/25/158560925.db2.gz IUYGRCJQNWYMGN-SNVBAGLBSA-N 0 0 316.427 0.911 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CCC[C@@H](n2cncn2)C1 ZINC000190868920 158563921 /nfs/dbraw/zinc/56/39/21/158563921.db2.gz WZTVFEGZPLAPNE-SECBINFHSA-N 0 0 316.291 0.664 10 0 DCAERN COc1ccccc1N1CC[C@H](N2CCCN(C)C(=O)C2)C1=O ZINC000191088870 158565845 /nfs/dbraw/zinc/56/58/45/158565845.db2.gz XBSJJIJVZJLETE-AWEZNQCLSA-N 0 0 317.389 0.965 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807205 158698290 /nfs/dbraw/zinc/69/82/90/158698290.db2.gz HCFDGBKVTRLLNO-QKDZRIPBSA-N 0 0 324.421 0.896 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N2CCCNC(=O)[C@H]2C)CC1=O ZINC000249060031 158702455 /nfs/dbraw/zinc/70/24/55/158702455.db2.gz PNIDBDURZRRQIW-YNEHKIRRSA-N 0 0 309.410 0.761 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000249288611 292399350 /nfs/dbraw/zinc/39/93/50/292399350.db2.gz JSSUPSSJDJOHPD-YNEHKIRRSA-N 0 0 303.424 0.941 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCOCC12CCCC2 ZINC000322207190 159011635 /nfs/dbraw/zinc/01/16/35/159011635.db2.gz OCVKLOUVBYHOHK-UHFFFAOYSA-N 0 0 305.396 0.914 10 0 DCAERN CS(=O)(=O)CC1(CN2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000328611732 159014848 /nfs/dbraw/zinc/01/48/48/159014848.db2.gz OSUKPJDBCVUDRS-ZDUSSCGKSA-N 0 0 313.423 0.409 10 0 DCAERN CCc1nsc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328635598 159016831 /nfs/dbraw/zinc/01/68/31/159016831.db2.gz CCVGRYDAVFLTND-GFCCVEGCSA-N 0 0 321.450 0.986 10 0 DCAERN C[C@@H](C(=O)N1CCN[C@H](c2cccnc2)C1)N1CCN(C)CC1 ZINC000328642395 159016907 /nfs/dbraw/zinc/01/69/07/159016907.db2.gz DVDFDMUSWHMCNS-HOCLYGCPSA-N 0 0 317.437 0.190 10 0 DCAERN CO[C@@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660927 159017811 /nfs/dbraw/zinc/01/78/11/159017811.db2.gz WEWBMZKEAZHDQC-HUUCEWRRSA-N 0 0 315.377 0.676 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@H]1c1ncon1)N1CCCCC1=O ZINC000328712300 159023486 /nfs/dbraw/zinc/02/34/86/159023486.db2.gz BNNUCOWSAAGROQ-NEPJUHHUSA-N 0 0 322.365 0.761 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H]3COCCO3)no2)c1 ZINC000328776217 159029095 /nfs/dbraw/zinc/02/90/95/159029095.db2.gz KZGBTHHCGWPPAW-GFCCVEGCSA-N 0 0 306.322 0.373 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@H](n3cccn3)C2)cn1C ZINC000328884374 159037982 /nfs/dbraw/zinc/03/79/82/159037982.db2.gz YOKWCDPHWRSPIV-LBPRGKRZSA-N 0 0 309.395 0.951 10 0 DCAERN CN(CC(=O)N1CCOCC1)Cc1nc2cccnc2s1 ZINC000328897529 159038657 /nfs/dbraw/zinc/03/86/57/159038657.db2.gz WFEHWBUSOIIJPG-UHFFFAOYSA-N 0 0 306.391 0.982 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)CCN1CCOCC1 ZINC000328927415 159043000 /nfs/dbraw/zinc/04/30/00/159043000.db2.gz XCJQPHXRWJBQKL-GFCCVEGCSA-N 0 0 315.439 0.089 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@H]1Cn1ccnn1 ZINC000328940236 159045031 /nfs/dbraw/zinc/04/50/31/159045031.db2.gz SHVDYRJHWNTXTR-STQMWFEESA-N 0 0 314.411 0.641 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC[C@H](CCO)C2)CC(=O)N1C ZINC000328953849 159046225 /nfs/dbraw/zinc/04/62/25/159046225.db2.gz MPBIROQZVYEESU-XUJVJEKNSA-N 0 0 320.393 0.170 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)[C@H]1CCN(C)C1=O ZINC000329054364 159055584 /nfs/dbraw/zinc/05/55/84/159055584.db2.gz HUFPWCSCEUEJSK-RDBSUJKOSA-N 0 0 309.410 0.319 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)n1C ZINC000329068531 159058338 /nfs/dbraw/zinc/05/83/38/159058338.db2.gz MLQVWLSWEODIBI-KGLIPLIRSA-N 0 0 321.425 0.725 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cn4ccnc4s3)CC[C@@H]21 ZINC000329149509 159067913 /nfs/dbraw/zinc/06/79/13/159067913.db2.gz YYIMCQWZCKHNBY-BDAKNGLRSA-N 0 0 305.363 0.838 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329192283 159071234 /nfs/dbraw/zinc/07/12/34/159071234.db2.gz QSXAMPYANIGIEB-GHMZBOCLSA-N 0 0 304.350 0.884 10 0 DCAERN O=C(N1CCC[C@](F)(CO)C1)C1(N2CCOCC2)CCC1 ZINC000329238605 159075780 /nfs/dbraw/zinc/07/57/80/159075780.db2.gz PUGBMVRUSYFKNP-CQSZACIVSA-N 0 0 300.374 0.564 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2)C[C@H](C)S1(=O)=O ZINC000329251050 159076827 /nfs/dbraw/zinc/07/68/27/159076827.db2.gz XWJOXFBPUDNTCO-AXFHLTTASA-N 0 0 302.396 0.920 10 0 DCAERN CO[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CCS(=O)(=O)CC3)C1 ZINC000329262933 159077551 /nfs/dbraw/zinc/07/75/51/159077551.db2.gz FEIWVRMLGVXBGV-GRYCIOLGSA-N 0 0 301.408 0.837 10 0 DCAERN Cn1cc(-c2nn(C)cc2C(=O)N2CCC[C@@](F)(CO)C2)cn1 ZINC000329291396 159080026 /nfs/dbraw/zinc/08/00/26/159080026.db2.gz QWKKLYLJTABYGZ-HNNXBMFYSA-N 0 0 321.356 0.757 10 0 DCAERN O=C([C@H]1COCCN1CC(F)F)N1CCc2cncnc2C1 ZINC000329302879 159081495 /nfs/dbraw/zinc/08/14/95/159081495.db2.gz XAHFYNIGNWUGPO-GFCCVEGCSA-N 0 0 312.320 0.327 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000329330140 159083350 /nfs/dbraw/zinc/08/33/50/159083350.db2.gz VPZHAQMHBQXMPF-UHFFFAOYSA-N 0 0 300.366 0.974 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC000329339467 159083757 /nfs/dbraw/zinc/08/37/57/159083757.db2.gz NSFJFVDZEAEDRI-WDEREUQCSA-N 0 0 321.381 0.462 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2cc[nH]n2)O1 ZINC000329352010 159084544 /nfs/dbraw/zinc/08/45/44/159084544.db2.gz UIXKEEYUPLHJEC-XQQFMLRXSA-N 0 0 306.366 0.709 10 0 DCAERN c1cn2c(n1)C[C@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329371271 159086623 /nfs/dbraw/zinc/08/66/23/159086623.db2.gz AWRKAKFMDFIXCT-NEPJUHHUSA-N 0 0 300.366 0.668 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000329425154 159091302 /nfs/dbraw/zinc/09/13/02/159091302.db2.gz GRCDNEBNNWEOCW-RRFJBIMHSA-N 0 0 317.389 0.973 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329444544 159093409 /nfs/dbraw/zinc/09/34/09/159093409.db2.gz NOWCINRJRZFRKW-MNOVXSKESA-N 0 0 317.411 0.413 10 0 DCAERN CN(C(=O)[C@H]1CSCN1S(=O)(=O)CC1CC1)C1CC1 ZINC000329526704 159099650 /nfs/dbraw/zinc/09/96/50/159099650.db2.gz TVYCFVCUNMSUGE-LLVKDONJSA-N 0 0 304.437 0.722 10 0 DCAERN C[C@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000329531296 159099832 /nfs/dbraw/zinc/09/98/32/159099832.db2.gz JHLYBOJRAROIQD-LBPRGKRZSA-N 0 0 324.402 0.562 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cn(C3CC3)c(C)cc2=O)C[C@H]1OC ZINC000329534078 159100187 /nfs/dbraw/zinc/10/01/87/159100187.db2.gz YMXWXACNGHPEND-HUUCEWRRSA-N 0 0 306.362 0.977 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000329541411 159101277 /nfs/dbraw/zinc/10/12/77/159101277.db2.gz XGUOYECNYPNJEO-SNVBAGLBSA-N 0 0 320.353 0.612 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)[nH]1 ZINC000329618871 159107012 /nfs/dbraw/zinc/10/70/12/159107012.db2.gz GICLTDQSJSCJDE-JTQLQIEISA-N 0 0 315.399 0.081 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC(F)(F)C2)nn1 ZINC000329659180 159109782 /nfs/dbraw/zinc/10/97/82/159109782.db2.gz NYWKXOPOSFGAIV-NXEZZACHSA-N 0 0 302.281 0.346 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCC(Cn2cccn2)CC1 ZINC000329660811 159110162 /nfs/dbraw/zinc/11/01/62/159110162.db2.gz IJLFMHFSIRKYGG-UHFFFAOYSA-N 0 0 301.350 0.379 10 0 DCAERN CN1CC(=O)N(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)C1=O ZINC000329733576 159115511 /nfs/dbraw/zinc/11/55/11/159115511.db2.gz JSGNNDHGBYTPHK-CYBMUJFWSA-N 0 0 323.393 0.831 10 0 DCAERN CC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1N1CCOCC1 ZINC000329746658 159116293 /nfs/dbraw/zinc/11/62/93/159116293.db2.gz RYLFPCVQBLGIRA-QWHCGFSZSA-N 0 0 307.398 0.306 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329753418 159117608 /nfs/dbraw/zinc/11/76/08/159117608.db2.gz WUJIDKYQHSBDEP-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCOC[C@H]2C)cn1 ZINC000329805248 159120718 /nfs/dbraw/zinc/12/07/18/159120718.db2.gz MUKMCOGSOQLJEG-VHDGCEQUSA-N 0 0 323.393 0.854 10 0 DCAERN Cc1nc(Cn2cc(C(=O)N3[C@H](C)CN(C)C[C@@H]3C)nn2)no1 ZINC000329872409 159124865 /nfs/dbraw/zinc/12/48/65/159124865.db2.gz BJWZPEXFWSUBMC-AOOOYVTPSA-N 0 0 319.369 0.182 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329889763 159126790 /nfs/dbraw/zinc/12/67/90/159126790.db2.gz FBDWIONMAYKAMN-NSHDSACASA-N 0 0 304.306 0.453 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCCNC(=O)[C@@H]1C)n1cccn1 ZINC000329975162 159132722 /nfs/dbraw/zinc/13/27/22/159132722.db2.gz DMTDBJKRNZPMCY-RYUDHWBXSA-N 0 0 321.381 0.480 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330046515 159137982 /nfs/dbraw/zinc/13/79/82/159137982.db2.gz DYKVNAHYEJJNKS-CMPLNLGQSA-N 0 0 300.384 0.131 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)C3(O)CCOCC3)C2)n1 ZINC000330059115 159138613 /nfs/dbraw/zinc/13/86/13/159138613.db2.gz KLIFYAWZFIVEET-NSHDSACASA-N 0 0 324.381 0.383 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)CCN1CCCC1 ZINC000330063779 159138997 /nfs/dbraw/zinc/13/89/97/159138997.db2.gz BSWPZFFWDFYTKY-FTLABTOESA-N 0 0 308.469 0.253 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000330076877 159140414 /nfs/dbraw/zinc/14/04/14/159140414.db2.gz DYSPSKKDYSRPFT-MELADBBJSA-N 0 0 316.361 0.600 10 0 DCAERN C[C@H](C(=O)N1CCO[C@@H](COCC2CC2)C1)N1CCOCC1 ZINC000330156624 159146445 /nfs/dbraw/zinc/14/64/45/159146445.db2.gz YUXNJAAKDJACAS-UKRRQHHQSA-N 0 0 312.410 0.361 10 0 DCAERN O=C(C[S@](=O)[C@@H]1CCOC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000330153396 159146717 /nfs/dbraw/zinc/14/67/17/159146717.db2.gz XEDVFIGBWPBEBV-WUVMZXDYSA-N 0 0 301.408 0.694 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN[C@@H](c2cccnc2)C1 ZINC000330178648 159148214 /nfs/dbraw/zinc/14/82/14/159148214.db2.gz DVXDZFWVAAWYFH-ZJIFWQFVSA-N 0 0 317.389 0.606 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCc1ccno1 ZINC000330201221 159149501 /nfs/dbraw/zinc/14/95/01/159149501.db2.gz XKWZVCTXCIDTQL-GFCCVEGCSA-N 0 0 315.395 0.885 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000332727101 159210469 /nfs/dbraw/zinc/21/04/69/159210469.db2.gz RNVQJWKLBXWRDO-NEPJUHHUSA-N 0 0 305.382 0.681 10 0 DCAERN C[C@@H](CNC(=O)C[C@H]1CCCCC(=O)N1)CN1CCOCC1 ZINC000332727236 159210779 /nfs/dbraw/zinc/21/07/79/159210779.db2.gz GQDRYONKEWXMMF-UONOGXRCSA-N 0 0 311.426 0.520 10 0 DCAERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000332757301 159212600 /nfs/dbraw/zinc/21/26/00/159212600.db2.gz QHMUFKCWBJKTGR-KFWWJZLASA-N 0 0 320.393 0.861 10 0 DCAERN C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)[C@@H]1CCCCO1 ZINC000332755145 159212727 /nfs/dbraw/zinc/21/27/27/159212727.db2.gz KHRLGWLTFHSEJT-AVGNSLFASA-N 0 0 323.397 0.856 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)O1 ZINC000332812922 159214539 /nfs/dbraw/zinc/21/45/39/159214539.db2.gz PJMCDHADKHNOJR-MQLXINIDSA-N 0 0 310.394 0.696 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000332964451 159217955 /nfs/dbraw/zinc/21/79/55/159217955.db2.gz KMOGJHPZSNULAM-OLZOCXBDSA-N 0 0 310.398 0.611 10 0 DCAERN COc1cccc(OC)c1OC[C@H](O)CN1CC(=O)N(C)C1 ZINC000360473838 159270181 /nfs/dbraw/zinc/27/01/81/159270181.db2.gz LQHOWJPXEKUODD-LLVKDONJSA-N 0 0 310.350 0.175 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000367082731 159311048 /nfs/dbraw/zinc/31/10/48/159311048.db2.gz AGQQXNQXPFPNRK-UONOGXRCSA-N 0 0 320.418 0.476 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000367162337 159318483 /nfs/dbraw/zinc/31/84/83/159318483.db2.gz ABNNKODTJJVIHD-JQWIXIFHSA-N 0 0 324.343 0.869 10 0 DCAERN C[C@H]1CCOCCN1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000367633783 159348243 /nfs/dbraw/zinc/34/82/43/159348243.db2.gz NJTZNYMQZVYKDJ-LBPRGKRZSA-N 0 0 321.377 0.871 10 0 DCAERN Cn1cnc(CNC(=O)N2CCN(c3ccc(F)cn3)CC2)n1 ZINC000367669360 159350667 /nfs/dbraw/zinc/35/06/67/159350667.db2.gz BKYDAMPRMCNLNR-UHFFFAOYSA-N 0 0 319.344 0.381 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000367763781 159354852 /nfs/dbraw/zinc/35/48/52/159354852.db2.gz QEUIVLZAMHQKKM-VXGBXAGGSA-N 0 0 315.395 0.644 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)OC[C@H]1CCCO1 ZINC000367789380 159355985 /nfs/dbraw/zinc/35/59/85/159355985.db2.gz BVFBJXOOIBZESY-OLZOCXBDSA-N 0 0 312.366 0.672 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368282123 159384764 /nfs/dbraw/zinc/38/47/64/159384764.db2.gz DQRCIIQODYRAHA-AWEZNQCLSA-N 0 0 307.398 0.308 10 0 DCAERN NC(=O)c1ccccc1N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000369678062 159473458 /nfs/dbraw/zinc/47/34/58/159473458.db2.gz JDFKGCGVGARVNE-LLVKDONJSA-N 0 0 323.418 0.836 10 0 DCAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC(n2ccnn2)C1 ZINC000372581452 159632080 /nfs/dbraw/zinc/63/20/80/159632080.db2.gz GICBCHSUQUJYMG-NSHDSACASA-N 0 0 303.366 0.453 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)C1 ZINC000372719518 159639932 /nfs/dbraw/zinc/63/99/32/159639932.db2.gz QYUMFHWFWDJDOI-SGMGOOAPSA-N 0 0 307.398 0.866 10 0 DCAERN C[C@@H](O)c1cn(CC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)nn1 ZINC000373630462 159690808 /nfs/dbraw/zinc/69/08/08/159690808.db2.gz SOFWRXWORXBXSU-ABAIWWIYSA-N 0 0 324.381 0.128 10 0 DCAERN O=C(CN1CCOCC1)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000375818214 159821089 /nfs/dbraw/zinc/82/10/89/159821089.db2.gz XCQITGJLHBJPRF-GOSISDBHSA-N 0 0 318.417 0.915 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000376490935 159860459 /nfs/dbraw/zinc/86/04/59/159860459.db2.gz JPLGOJZEVKSTQK-SWLSCSKDSA-N 0 0 315.389 0.892 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)ccc1O ZINC000376640671 159868237 /nfs/dbraw/zinc/86/82/37/159868237.db2.gz OIKCMNOTABOOFO-NSHDSACASA-N 0 0 307.350 0.808 10 0 DCAERN O=C(CCCNC(=O)c1ccsc1)N1CC(n2ccnn2)C1 ZINC000378537428 159988672 /nfs/dbraw/zinc/98/86/72/159988672.db2.gz DKVMQAMXLVOYDF-UHFFFAOYSA-N 0 0 319.390 0.933 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC(=O)N1C ZINC000407971603 160000194 /nfs/dbraw/zinc/00/01/94/160000194.db2.gz PYPLXMQSFKWAFN-AAEUAGOBSA-N 0 0 307.394 0.324 10 0 DCAERN CCc1c(C(=O)N2CCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407981004 160001885 /nfs/dbraw/zinc/00/18/85/160001885.db2.gz QSTYOZUYLYWGCV-UHFFFAOYSA-N 0 0 302.334 0.041 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCC[C@H](SC)C2)C1 ZINC000407987743 160003159 /nfs/dbraw/zinc/00/31/59/160003159.db2.gz RDRUWZGKFLYCOR-ONGXEEELSA-N 0 0 300.428 0.983 10 0 DCAERN Cc1nc(N2CCC([C@@H](C)O)CC2)sc1S(N)(=O)=O ZINC000407986218 160003961 /nfs/dbraw/zinc/00/39/61/160003961.db2.gz SKKGXKJFWPXVCE-MRVPVSSYSA-N 0 0 305.425 0.696 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCOC(C)(C)C2)CCO1 ZINC000407989926 160004340 /nfs/dbraw/zinc/00/43/40/160004340.db2.gz JARPYYLEZAHQLH-QWRGUYRKSA-N 0 0 300.355 0.527 10 0 DCAERN CC1(O)CN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000407989039 160004752 /nfs/dbraw/zinc/00/47/52/160004752.db2.gz WJTQJXONNIZGBW-VIFPVBQESA-N 0 0 310.300 0.911 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@H]3CCOC3)[C@@H]2C1 ZINC000407991025 160005457 /nfs/dbraw/zinc/00/54/57/160005457.db2.gz SBYROAXHIFJWHO-DGAVXFQQSA-N 0 0 319.423 0.621 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000407994202 160005961 /nfs/dbraw/zinc/00/59/61/160005961.db2.gz AFYLNKBTQUHSET-NSHDSACASA-N 0 0 315.395 0.777 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000407995681 160006195 /nfs/dbraw/zinc/00/61/95/160006195.db2.gz LMJOCJFOQKSCRV-SNVBAGLBSA-N 0 0 315.395 0.306 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C1CCOCC1 ZINC000407997458 160006731 /nfs/dbraw/zinc/00/67/31/160006731.db2.gz OYAICNRUBUOEKY-ZYHUDNBSSA-N 0 0 304.412 0.329 10 0 DCAERN CNS(=O)(=O)NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000407997440 160006776 /nfs/dbraw/zinc/00/67/76/160006776.db2.gz WBMHEVRCNOFKCY-UHFFFAOYSA-N 0 0 304.397 0.014 10 0 DCAERN CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)N1CCCCC1 ZINC000408015189 160011072 /nfs/dbraw/zinc/01/10/72/160011072.db2.gz BATGCAWINXRLMD-VXGBXAGGSA-N 0 0 308.444 0.465 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408018267 160012893 /nfs/dbraw/zinc/01/28/93/160012893.db2.gz ZPHMFMYAFMVJJR-AVGNSLFASA-N 0 0 306.428 0.146 10 0 DCAERN NC(=O)N[C@@H]1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023158 160014206 /nfs/dbraw/zinc/01/42/06/160014206.db2.gz QIZHNLNKRKETMC-DLUQRMLASA-N 0 0 320.437 0.814 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023611 160014682 /nfs/dbraw/zinc/01/46/82/160014682.db2.gz SZSNWPIBNXMIPW-KGLIPLIRSA-N 0 0 318.377 0.722 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408027165 160015169 /nfs/dbraw/zinc/01/51/69/160015169.db2.gz LXBFXDGPGSLBIF-CYDGBPFRSA-N 0 0 322.427 0.076 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)sc1C ZINC000408027843 160015474 /nfs/dbraw/zinc/01/54/74/160015474.db2.gz PDWRRVGAYHRIGL-SFYZADRCSA-N 0 0 307.372 0.346 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cn1 ZINC000408028558 160015783 /nfs/dbraw/zinc/01/57/83/160015783.db2.gz PUUMCSXVRNIFRL-KGLIPLIRSA-N 0 0 311.407 0.484 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C(N)=O ZINC000408031684 160016549 /nfs/dbraw/zinc/01/65/49/160016549.db2.gz OPNUTTHBXZXFLZ-DDHJBXDOSA-N 0 0 303.428 0.262 10 0 DCAERN Cc1noc([C@H]2CCN(S(=O)(=O)N(C)CC(C)C)C2)n1 ZINC000408031482 160016729 /nfs/dbraw/zinc/01/67/29/160016729.db2.gz NGAMQJFLWXWKPM-NSHDSACASA-N 0 0 302.400 1.000 10 0 DCAERN CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000408033363 160017299 /nfs/dbraw/zinc/01/72/99/160017299.db2.gz LGBHWNBEZFXREV-AWEZNQCLSA-N 0 0 311.426 0.422 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000408033644 160017399 /nfs/dbraw/zinc/01/73/99/160017399.db2.gz OWHWLQFVMCDXNL-HNNXBMFYSA-N 0 0 322.409 0.266 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)NCC(=O)N(C)C2CCCCC2)C1 ZINC000408049395 160022421 /nfs/dbraw/zinc/02/24/21/160022421.db2.gz YYTJVRHVOBDXHT-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN CN1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000408050443 160023375 /nfs/dbraw/zinc/02/33/75/160023375.db2.gz JOMYBEMBOKIZDF-UHFFFAOYSA-N 0 0 317.798 0.375 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408052301 160023933 /nfs/dbraw/zinc/02/39/33/160023933.db2.gz LCHMZSQAIRREDK-IHRRRGAJSA-N 0 0 313.442 0.898 10 0 DCAERN Cc1noc([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)n1 ZINC000408053309 160024335 /nfs/dbraw/zinc/02/43/35/160024335.db2.gz OEXYRBOHBGFEQO-ZYHUDNBSSA-N 0 0 306.366 0.952 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408054283 160024400 /nfs/dbraw/zinc/02/44/00/160024400.db2.gz LQQQWOFQFQNTRK-JHJVBQTASA-N 0 0 309.410 0.747 10 0 DCAERN C[C@]1(O)CCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000408054947 160025298 /nfs/dbraw/zinc/02/52/98/160025298.db2.gz PYMGLOAWLZDDPS-ZDUSSCGKSA-N 0 0 316.354 0.460 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000408059313 160025673 /nfs/dbraw/zinc/02/56/73/160025673.db2.gz BZNXEFMSNMDUAV-XQQFMLRXSA-N 0 0 324.377 0.035 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)C[C@H]1C(N)=O ZINC000408058794 160025891 /nfs/dbraw/zinc/02/58/91/160025891.db2.gz DTIAEHKEOQOLGY-JHJVBQTASA-N 0 0 323.437 0.993 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)nc1C ZINC000408058694 160025985 /nfs/dbraw/zinc/02/59/85/160025985.db2.gz MACGUEWGZFUYNG-LLVKDONJSA-N 0 0 314.411 0.453 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CC1=O ZINC000408065343 160026748 /nfs/dbraw/zinc/02/67/48/160026748.db2.gz YODMAXSGMRFUPL-XBFCOCLRSA-N 0 0 306.337 0.938 10 0 DCAERN Cc1nc(CN2CCN(C(=O)N3CCOCC3)CC2)oc1C ZINC000408074765 160030165 /nfs/dbraw/zinc/03/01/65/160030165.db2.gz VWWCWTUZOJBQST-UHFFFAOYSA-N 0 0 308.382 0.861 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408079770 160031022 /nfs/dbraw/zinc/03/10/22/160031022.db2.gz OBRUEJXNVGUCMZ-COPLHBTASA-N 0 0 313.394 0.963 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000408085860 160032287 /nfs/dbraw/zinc/03/22/87/160032287.db2.gz DIFUOUUTRSFHKI-QKCSRTOESA-N 0 0 307.394 0.418 10 0 DCAERN C[C@@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089921 160033418 /nfs/dbraw/zinc/03/34/18/160033418.db2.gz KTVNCIBDUFPNHB-BXUZGUMPSA-N 0 0 303.362 0.674 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408092208 160034046 /nfs/dbraw/zinc/03/40/46/160034046.db2.gz KPMIXXYQAQBIRF-IAQYHMDHSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2cncnc2C1 ZINC000408092988 160034642 /nfs/dbraw/zinc/03/46/42/160034642.db2.gz MJMOJPYGLRBJHI-JTQLQIEISA-N 0 0 305.382 0.848 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC000408096197 160034983 /nfs/dbraw/zinc/03/49/83/160034983.db2.gz XCICUKSWFZBIIE-ZYHUDNBSSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C[C@H]1O ZINC000408096269 160035061 /nfs/dbraw/zinc/03/50/61/160035061.db2.gz YSICFXRPZOZGDG-ZWNOBZJWSA-N 0 0 317.345 0.331 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408097420 160035182 /nfs/dbraw/zinc/03/51/82/160035182.db2.gz NEJKERJMCHJDRU-GFCCVEGCSA-N 0 0 307.398 0.921 10 0 DCAERN CC1CCN(S(=O)(=O)NC[C@]2(CCO)CCOC2)CC1 ZINC000408100425 160035497 /nfs/dbraw/zinc/03/54/97/160035497.db2.gz SAHUTNFWXXHWBO-ZDUSSCGKSA-N 0 0 306.428 0.342 10 0 DCAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408100064 160035718 /nfs/dbraw/zinc/03/57/18/160035718.db2.gz PHDGKSHXSXSBKQ-KOLCDFICSA-N 0 0 315.395 0.183 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCCC[C@H]1CO ZINC000408104730 160036314 /nfs/dbraw/zinc/03/63/14/160036314.db2.gz MSIKIOWLMKFZQJ-TUAOUCFPSA-N 0 0 304.412 0.414 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000408111626 160038245 /nfs/dbraw/zinc/03/82/45/160038245.db2.gz DLFGCIJBOKAOGS-RYUDHWBXSA-N 0 0 311.363 0.123 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408113426 160038737 /nfs/dbraw/zinc/03/87/37/160038737.db2.gz SHGYWUFPTRBVRM-MELADBBJSA-N 0 0 321.421 0.714 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(C)C[C@@H]2C)C1=O ZINC000408112195 160038778 /nfs/dbraw/zinc/03/87/78/160038778.db2.gz JENXOYMPYSSPOB-QWHCGFSZSA-N 0 0 317.389 0.963 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CCN(C)C[C@H]1C)c2=O ZINC000408113154 160038796 /nfs/dbraw/zinc/03/87/96/160038796.db2.gz QLTGINCQXMMELO-GFCCVEGCSA-N 0 0 300.362 0.779 10 0 DCAERN Cc1cccc2c1ncn(CC(=O)N1CCN(C)C[C@@H]1C)c2=O ZINC000408112374 160039034 /nfs/dbraw/zinc/03/90/34/160039034.db2.gz KKIUDFNBNONYSK-ZDUSSCGKSA-N 0 0 314.389 0.867 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000408116355 160039810 /nfs/dbraw/zinc/03/98/10/160039810.db2.gz PYBDORBVHRUPEZ-KWQFWETISA-N 0 0 316.379 0.468 10 0 DCAERN Cn1cc(CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000408126704 160043008 /nfs/dbraw/zinc/04/30/08/160043008.db2.gz ASMRDLFSIFRMCL-AWEZNQCLSA-N 0 0 304.394 0.824 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408130820 160043722 /nfs/dbraw/zinc/04/37/22/160043722.db2.gz WLRCKYOTSBKISO-JTQLQIEISA-N 0 0 317.345 0.616 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CC(C)C)C1 ZINC000408133730 160044178 /nfs/dbraw/zinc/04/41/78/160044178.db2.gz PIDPRDMXTQYASC-GFCCVEGCSA-N 0 0 305.444 0.810 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1O ZINC000408137596 160044867 /nfs/dbraw/zinc/04/48/67/160044867.db2.gz JVHHXJOVXJTIJH-NWDGAFQWSA-N 0 0 318.439 0.277 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408137025 160044907 /nfs/dbraw/zinc/04/49/07/160044907.db2.gz BZZIYVXFQZOFLA-WISYIIOYSA-N 0 0 303.428 0.802 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@H]1CO ZINC000408139773 160046261 /nfs/dbraw/zinc/04/62/61/160046261.db2.gz PMDBECMNIWLKBW-OCCSQVGLSA-N 0 0 311.426 0.999 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408153086 160049204 /nfs/dbraw/zinc/04/92/04/160049204.db2.gz IEUIUEBPJLJTHF-YFKTTZPYSA-N 0 0 319.427 0.323 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000408162969 160050344 /nfs/dbraw/zinc/05/03/44/160050344.db2.gz ALIOOTLMPBNJMG-MNOVXSKESA-N 0 0 310.441 0.130 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408179491 160053748 /nfs/dbraw/zinc/05/37/48/160053748.db2.gz DRXVFWRWBIDFKD-JTQLQIEISA-N 0 0 314.411 0.307 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408181953 160054374 /nfs/dbraw/zinc/05/43/74/160054374.db2.gz GVRBDKFNKHJHNA-GXTWGEPZSA-N 0 0 308.403 0.867 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408182746 160054707 /nfs/dbraw/zinc/05/47/07/160054707.db2.gz MXZORNHRMCHDHB-CQSZACIVSA-N 0 0 319.471 0.616 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCSCC2)C1 ZINC000408192927 160056988 /nfs/dbraw/zinc/05/69/88/160056988.db2.gz BDZPXWLMNKAMBD-JTQLQIEISA-N 0 0 307.441 0.215 10 0 DCAERN CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC000408197785 160057708 /nfs/dbraw/zinc/05/77/08/160057708.db2.gz JVKSYMCUPHFFDX-RRFJBIMHSA-N 0 0 300.443 0.408 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC(=O)N1 ZINC000408200374 160058665 /nfs/dbraw/zinc/05/86/65/160058665.db2.gz ABXIVBDUSNDBLG-YNEHKIRRSA-N 0 0 305.382 0.746 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1C ZINC000408204038 160058972 /nfs/dbraw/zinc/05/89/72/160058972.db2.gz SQXHKDHPXKQJHD-UWVGGRQHSA-N 0 0 314.411 0.618 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)cc12 ZINC000408202315 160059215 /nfs/dbraw/zinc/05/92/15/160059215.db2.gz ILAFPLMTYYIFQO-SECBINFHSA-N 0 0 322.390 0.536 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000408201930 160059223 /nfs/dbraw/zinc/05/92/23/160059223.db2.gz GVVOUGFLPHQEHD-XGUBFFRZSA-N 0 0 323.437 0.470 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)CC(=O)N1 ZINC000408205446 160059738 /nfs/dbraw/zinc/05/97/38/160059738.db2.gz YCUGVAPXBMGLKR-VXGBXAGGSA-N 0 0 320.368 0.784 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408206538 160060315 /nfs/dbraw/zinc/06/03/15/160060315.db2.gz ORCYGTYOTIMBFN-VIFPVBQESA-N 0 0 302.318 0.763 10 0 DCAERN NC(=O)CC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000408219362 160062195 /nfs/dbraw/zinc/06/21/95/160062195.db2.gz ZGXWFYSUARRCJA-UHFFFAOYSA-N 0 0 310.398 0.485 10 0 DCAERN O=S(=O)(CC1CCOCC1)N(CCO)[C@@H]1CCCSC1 ZINC000408228181 160063694 /nfs/dbraw/zinc/06/36/94/160063694.db2.gz WIEKJXGMLXIJNN-CYBMUJFWSA-N 0 0 323.480 0.933 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000408227817 160063766 /nfs/dbraw/zinc/06/37/66/160063766.db2.gz ZEJKZYPIABFIPF-FDYHWXHSSA-N 0 0 312.410 0.800 10 0 DCAERN C[C@H]1[C@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1(F)F ZINC000408232529 160065238 /nfs/dbraw/zinc/06/52/38/160065238.db2.gz UMUMSOSZSFPZSE-WCBMZHEXSA-N 0 0 310.366 0.770 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)s1 ZINC000408235898 160066085 /nfs/dbraw/zinc/06/60/85/160066085.db2.gz GRVFPTNHNIETBZ-RKDXNWHRSA-N 0 0 305.425 0.895 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000408236322 160066520 /nfs/dbraw/zinc/06/65/20/160066520.db2.gz HXULRQWQVJZKFA-ZJUUUORDSA-N 0 0 322.377 0.774 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000408245524 160068516 /nfs/dbraw/zinc/06/85/16/160068516.db2.gz GSBULZDQZBBVBV-MRXNPFEDSA-N 0 0 302.378 0.890 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cn1 ZINC000408248825 160069322 /nfs/dbraw/zinc/06/93/22/160069322.db2.gz XHZBVRVMSVTYIB-INIZCTEOSA-N 0 0 316.361 0.184 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408253058 160069786 /nfs/dbraw/zinc/06/97/86/160069786.db2.gz WOYVMARXGFAYRE-LRDDRELGSA-N 0 0 322.409 0.309 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000408250947 160070147 /nfs/dbraw/zinc/07/01/47/160070147.db2.gz UFTSUSLAFPKKEJ-BETUJISGSA-N 0 0 324.402 0.940 10 0 DCAERN Cc1nc(CNC(=O)N2CCCN(C(=O)C(C)C)CC2)no1 ZINC000408254746 160070613 /nfs/dbraw/zinc/07/06/13/160070613.db2.gz OMNKIVWQRLZBND-UHFFFAOYSA-N 0 0 309.370 0.778 10 0 DCAERN C[S@@](=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000408258774 160071235 /nfs/dbraw/zinc/07/12/35/160071235.db2.gz BAMNFTOXYFDWFK-RKFFSXRUSA-N 0 0 322.390 0.665 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCN(CC)C(=O)C2)c1 ZINC000408269924 160072551 /nfs/dbraw/zinc/07/25/51/160072551.db2.gz FZCNFGDOAQHGGU-UHFFFAOYSA-N 0 0 300.384 0.146 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2nccn2C)CC1 ZINC000408272029 160073463 /nfs/dbraw/zinc/07/34/63/160073463.db2.gz VYWNIYMNGCGJTP-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408276913 160074493 /nfs/dbraw/zinc/07/44/93/160074493.db2.gz MFTBVMBMJYLEIP-HNNXBMFYSA-N 0 0 308.334 0.336 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)[nH]1 ZINC000408279525 160074912 /nfs/dbraw/zinc/07/49/12/160074912.db2.gz AJWUHNWIUDFQPV-NSHDSACASA-N 0 0 314.411 0.277 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3C[C@H](C)O[C@H](CO)C3)cnc2n1 ZINC000408283575 160076131 /nfs/dbraw/zinc/07/61/31/160076131.db2.gz MBEWZCYQSVYRFS-QWRGUYRKSA-N 0 0 317.345 0.866 10 0 DCAERN Cc1ccnc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n1 ZINC000408287533 160077112 /nfs/dbraw/zinc/07/71/12/160077112.db2.gz RPNYVXRFKQMDSY-GFCCVEGCSA-N 0 0 320.418 0.965 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(O)CC2)C1 ZINC000408289205 160077752 /nfs/dbraw/zinc/07/77/52/160077752.db2.gz CBSCXJJNJAYRPS-BPCQOVAHSA-N 0 0 318.439 0.466 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](O)C[C@H]2C)c1 ZINC000408291967 160077780 /nfs/dbraw/zinc/07/77/80/160077780.db2.gz AXQCNQCFXZVPQI-NXEZZACHSA-N 0 0 315.395 0.297 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408297655 160079182 /nfs/dbraw/zinc/07/91/82/160079182.db2.gz KWMXZCHMPPFLNR-HNNXBMFYSA-N 0 0 304.350 0.608 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@](C)(O)C(C)C)CCO2)n1 ZINC000408304375 160080497 /nfs/dbraw/zinc/08/04/97/160080497.db2.gz YFGVSVXVRAGABC-HIFRSBDPSA-N 0 0 310.398 0.529 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000408305281 160080805 /nfs/dbraw/zinc/08/08/05/160080805.db2.gz ITJOWWQLRDUXOT-SMDDNHRTSA-N 0 0 300.424 0.618 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408304662 160080926 /nfs/dbraw/zinc/08/09/26/160080926.db2.gz BYWZSQAXFQVGSE-ZYHUDNBSSA-N 0 0 308.300 0.913 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000408317692 160084198 /nfs/dbraw/zinc/08/41/98/160084198.db2.gz HNJVDRSGPDAJTP-KOLCDFICSA-N 0 0 311.363 0.193 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)C3(O)CCOCC3)C2)cn1 ZINC000408323265 160084988 /nfs/dbraw/zinc/08/49/88/160084988.db2.gz XWYZHDYCTMSIAQ-LBPRGKRZSA-N 0 0 308.382 0.047 10 0 DCAERN C[C@@]1(C(N)=O)CCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408325679 160085475 /nfs/dbraw/zinc/08/54/75/160085475.db2.gz CPCRCCIEOLLADL-QMTHXVAHSA-N 0 0 308.407 0.836 10 0 DCAERN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)N1CC(CO)C1 ZINC000408329019 160086151 /nfs/dbraw/zinc/08/61/51/160086151.db2.gz LPXLWRKNJRXGLD-VIFPVBQESA-N 0 0 309.288 0.173 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000408343137 160088146 /nfs/dbraw/zinc/08/81/46/160088146.db2.gz NNIPZVFWTRBAEO-GMTAPVOTSA-N 0 0 318.464 0.666 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408348657 160089740 /nfs/dbraw/zinc/08/97/40/160089740.db2.gz CVIANKVZZUOZNH-XHDPSFHLSA-N 0 0 309.366 0.082 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000408353927 160090524 /nfs/dbraw/zinc/09/05/24/160090524.db2.gz FHNAFNOTPAHSCX-IJLUTSLNSA-N 0 0 310.398 0.339 10 0 DCAERN CCCNS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000408357049 160091674 /nfs/dbraw/zinc/09/16/74/160091674.db2.gz ISDKZBOPQZFRMA-GFCCVEGCSA-N 0 0 305.444 0.416 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1OC ZINC000408360227 160092057 /nfs/dbraw/zinc/09/20/57/160092057.db2.gz SESLIGHHJLRGQW-KBUPBQIOSA-N 0 0 312.410 0.502 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408365744 160093169 /nfs/dbraw/zinc/09/31/69/160093169.db2.gz IJBOHPNQSOPVHQ-SNVBAGLBSA-N 0 0 315.482 0.578 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC000408374523 160094535 /nfs/dbraw/zinc/09/45/35/160094535.db2.gz LRKHHFUFAILQGT-ZIAGYGMSSA-N 0 0 307.398 0.217 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000408373323 160094541 /nfs/dbraw/zinc/09/45/41/160094541.db2.gz KTMPCROBZCGIJI-GMTAPVOTSA-N 0 0 313.423 0.410 10 0 DCAERN C[C@H]1Oc2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc2NC1=O ZINC000408380010 160095887 /nfs/dbraw/zinc/09/58/87/160095887.db2.gz SAHYOOLOCAOHBM-MWLCHTKSSA-N 0 0 321.333 0.631 10 0 DCAERN CCCN1CCN(C(=O)[C@@H](C)N2CCOCC2)C(C)(C)C1=O ZINC000408379516 160095926 /nfs/dbraw/zinc/09/59/26/160095926.db2.gz LKZMBTUHWTWEGR-CYBMUJFWSA-N 0 0 311.426 0.567 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)NC(C)C)O2)n1 ZINC000408384900 160096821 /nfs/dbraw/zinc/09/68/21/160096821.db2.gz JDQZXWLBSDVIEJ-ZJUUUORDSA-N 0 0 304.372 0.431 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC000408388581 160098338 /nfs/dbraw/zinc/09/83/38/160098338.db2.gz VYNJQOPKARKFJC-MRVPVSSYSA-N 0 0 306.775 0.021 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1C ZINC000408389472 160098519 /nfs/dbraw/zinc/09/85/19/160098519.db2.gz KQKMIKYERNSRNJ-QWRGUYRKSA-N 0 0 307.350 0.937 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000408394200 160098896 /nfs/dbraw/zinc/09/88/96/160098896.db2.gz OHTUMVGBIFLZSU-GFCCVEGCSA-N 0 0 303.428 0.898 10 0 DCAERN O=C(CN1CCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1)N1CCOCC1 ZINC000408392791 160099317 /nfs/dbraw/zinc/09/93/17/160099317.db2.gz CUMPQZGMKWOJNU-GJZGRUSLSA-N 0 0 321.421 0.036 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408394842 160099545 /nfs/dbraw/zinc/09/95/45/160099545.db2.gz KMTQWWRZMOKQBW-INIZCTEOSA-N 0 0 301.346 0.997 10 0 DCAERN Cc1c(Br)cc(C(=O)N2CC(CO)C2)c(=O)n1C ZINC000408400507 160101396 /nfs/dbraw/zinc/10/13/96/160101396.db2.gz SZGSAYLFWQVFDW-UHFFFAOYSA-N 0 0 315.167 0.521 10 0 DCAERN Cc1nc([C@H](C)NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cs1 ZINC000408434132 160107834 /nfs/dbraw/zinc/10/78/34/160107834.db2.gz PAXNYENLSUGTMB-CBAPKCEASA-N 0 0 318.424 0.585 10 0 DCAERN CSC[C@@H](CCO)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408435305 160107840 /nfs/dbraw/zinc/10/78/40/160107840.db2.gz WGRMCAAQGGNKAD-OUAUKWLOSA-N 0 0 312.457 0.044 10 0 DCAERN CCC1(CO)CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC000408442492 160108765 /nfs/dbraw/zinc/10/87/65/160108765.db2.gz JBRULSYABZNLGN-UONOGXRCSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)NCC(C)(C)O)CC1 ZINC000408445836 160109454 /nfs/dbraw/zinc/10/94/54/160109454.db2.gz CHGNZIAUTGLVJO-UHFFFAOYSA-N 0 0 321.443 0.259 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000408452615 160111051 /nfs/dbraw/zinc/11/10/51/160111051.db2.gz NSIMWQQKTGBHDU-GHMZBOCLSA-N 0 0 305.444 0.761 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cn1 ZINC000408455385 160111537 /nfs/dbraw/zinc/11/15/37/160111537.db2.gz XNYNKDNZUZVDFO-INIZCTEOSA-N 0 0 318.377 0.559 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCSc2ccccc21 ZINC000408455581 160111862 /nfs/dbraw/zinc/11/18/62/160111862.db2.gz YUCNZXXVKBEOOO-UHFFFAOYSA-N 0 0 315.420 0.569 10 0 DCAERN CNS(=O)(=O)N1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000408458003 160112864 /nfs/dbraw/zinc/11/28/64/160112864.db2.gz RNPXOZCURXDJIA-GJZGRUSLSA-N 0 0 309.435 0.872 10 0 DCAERN COC(=O)C1(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000408456828 160112972 /nfs/dbraw/zinc/11/29/72/160112972.db2.gz LPVMTKDOXIBDAM-NWDGAFQWSA-N 0 0 301.408 0.981 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000408461781 160113330 /nfs/dbraw/zinc/11/33/30/160113330.db2.gz WUYVFLGSQYWKDS-RWMBFGLXSA-N 0 0 306.428 0.004 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000408460941 160113342 /nfs/dbraw/zinc/11/33/42/160113342.db2.gz SGDLXXVKCPPMNE-CHWSQXEVSA-N 0 0 318.439 0.684 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000408460712 160113364 /nfs/dbraw/zinc/11/33/64/160113364.db2.gz QOMPORMKAMTZHF-OLZOCXBDSA-N 0 0 313.423 0.466 10 0 DCAERN COCC1(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000408460480 160113584 /nfs/dbraw/zinc/11/35/84/160113584.db2.gz OQFPTGYCIHSLAJ-SECBINFHSA-N 0 0 303.302 0.494 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408461051 160113587 /nfs/dbraw/zinc/11/35/87/160113587.db2.gz SWNSCBOVKRPNMA-QWRGUYRKSA-N 0 0 300.380 0.872 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CCO1 ZINC000408472755 160115866 /nfs/dbraw/zinc/11/58/66/160115866.db2.gz WUOKFINSXCRJHK-GVARAGBVSA-N 0 0 307.346 0.823 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@H]1c1ccncc1 ZINC000043804002 286885887 /nfs/dbraw/zinc/88/58/87/286885887.db2.gz FFFSFZFNJNJSIT-NEPJUHHUSA-N 0 0 302.334 0.733 10 0 DCAERN Cn1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)n1 ZINC000068318146 286908079 /nfs/dbraw/zinc/90/80/79/286908079.db2.gz BDYZHAGYJIIPPP-UHFFFAOYSA-N 0 0 300.366 0.819 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC000070302961 286909833 /nfs/dbraw/zinc/90/98/33/286909833.db2.gz QHBFDBHAVVPKNX-UHFFFAOYSA-N 0 0 313.375 0.548 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000073921133 286914757 /nfs/dbraw/zinc/91/47/57/286914757.db2.gz XNMDXFGSCBHDNY-KCJUWKMLSA-N 0 0 311.304 0.739 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1N ZINC000231785210 297172503 /nfs/dbraw/zinc/17/25/03/297172503.db2.gz ONUAXEZXGJPUHY-SECBINFHSA-N 0 0 304.393 0.076 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCOCC(F)(F)F)C1 ZINC000116835816 286945242 /nfs/dbraw/zinc/94/52/42/286945242.db2.gz YXSRGGXMWSTYOP-MRVPVSSYSA-N 0 0 318.317 0.106 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCN(C)C(=O)C2)cc1C ZINC000120356062 286951626 /nfs/dbraw/zinc/95/16/26/286951626.db2.gz SZBLJGOMBMCJPC-UHFFFAOYSA-N 0 0 303.362 0.334 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000125775288 286968077 /nfs/dbraw/zinc/96/80/77/286968077.db2.gz LONPANIYLBMJRT-VIFPVBQESA-N 0 0 302.400 0.537 10 0 DCAERN CN(CC(=O)NCc1ccn(C2CCCC2)n1)S(C)(=O)=O ZINC000126371850 286971106 /nfs/dbraw/zinc/97/11/06/286971106.db2.gz UTRGEZVMSAOKDQ-UHFFFAOYSA-N 0 0 314.411 0.506 10 0 DCAERN CCS(=O)(=O)NCCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000133361450 287010040 /nfs/dbraw/zinc/01/00/40/287010040.db2.gz QNVHJYWCLBHLFZ-LLVKDONJSA-N 0 0 308.444 0.978 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000133944380 287014020 /nfs/dbraw/zinc/01/40/20/287014020.db2.gz WAPZWGHWUDBXJC-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCC1=O ZINC000133927269 287014345 /nfs/dbraw/zinc/01/43/45/287014345.db2.gz WTGRLWHULSEQKO-QWHCGFSZSA-N 0 0 307.394 0.372 10 0 DCAERN CCN(CC)C(=O)CCCNS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135519604 287022889 /nfs/dbraw/zinc/02/28/89/287022889.db2.gz BDTRIBHVHDGBCT-NWDGAFQWSA-N 0 0 306.428 0.732 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000135505880 287022920 /nfs/dbraw/zinc/02/29/20/287022920.db2.gz IEEGCZRIFQXHIM-XJFOESAGSA-N 0 0 320.455 0.583 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000151292884 287032639 /nfs/dbraw/zinc/03/26/39/287032639.db2.gz SBNBFUWVHMMRBN-UHFFFAOYSA-N 0 0 300.278 0.754 10 0 DCAERN COc1ccc(F)cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150745748 287030469 /nfs/dbraw/zinc/03/04/69/287030469.db2.gz MYMYOCFDERVQCR-UHFFFAOYSA-N 0 0 307.281 0.484 10 0 DCAERN COC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C1CC1 ZINC000151745517 287035726 /nfs/dbraw/zinc/03/57/26/287035726.db2.gz JRSMLZWRUZDTPG-ZDUSSCGKSA-N 0 0 317.345 0.231 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H](C)Cn1cccn1 ZINC000151796611 287036123 /nfs/dbraw/zinc/03/61/23/287036123.db2.gz RWKHRPFPBMBSEE-LBPRGKRZSA-N 0 0 318.381 0.881 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCC(=O)NC1=O ZINC000153522575 287050949 /nfs/dbraw/zinc/05/09/49/287050949.db2.gz NKSKHAKRIQJDOU-JTQLQIEISA-N 0 0 310.737 0.949 10 0 DCAERN CC[C@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181113374 287056305 /nfs/dbraw/zinc/05/63/05/287056305.db2.gz TWTVECAKXZWMAL-MELADBBJSA-N 0 0 319.471 0.757 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1c(F)cccc1Cl ZINC000192707338 287059497 /nfs/dbraw/zinc/05/94/97/287059497.db2.gz LOXVYJADDKCDJH-JTQLQIEISA-N 0 0 316.760 0.902 10 0 DCAERN O=C(CNC(=O)[C@H]1CNC(=O)C1)Nc1cccc2cccnc21 ZINC000195351022 287062725 /nfs/dbraw/zinc/06/27/25/287062725.db2.gz PFNQVDOJZKKEKV-LLVKDONJSA-N 0 0 312.329 0.426 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000245565291 287070991 /nfs/dbraw/zinc/07/09/91/287070991.db2.gz WORHUOUOOINIKI-UPJWGTAASA-N 0 0 322.471 0.973 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246060671 287075924 /nfs/dbraw/zinc/07/59/24/287075924.db2.gz DGHOHYXQFKTGLV-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)[C@@H](C)CO1 ZINC000246218032 287079363 /nfs/dbraw/zinc/07/93/63/287079363.db2.gz PSWBAFVRTDJWSL-STQMWFEESA-N 0 0 313.423 0.910 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)CC[C@H]1C ZINC000246173427 287078189 /nfs/dbraw/zinc/07/81/89/287078189.db2.gz FXQCFZJYWCVODF-WDEREUQCSA-N 0 0 312.457 0.376 10 0 DCAERN Cc1cc(CN(C)S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)no1 ZINC000246182953 287078590 /nfs/dbraw/zinc/07/85/90/287078590.db2.gz NLNWKIFZKQDFBA-GXSJLCMTSA-N 0 0 303.384 0.769 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)C[C@H](C)O1 ZINC000246200637 287078819 /nfs/dbraw/zinc/07/88/19/287078819.db2.gz PMDQXZJTZJWWHU-RQJABVFESA-N 0 0 320.455 0.871 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)C[C@H](C)O1 ZINC000246436069 287083763 /nfs/dbraw/zinc/08/37/63/287083763.db2.gz UBXRNPGIIFTLJP-UMNHJUIQSA-N 0 0 310.316 0.621 10 0 DCAERN CC[C@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000246479567 287084064 /nfs/dbraw/zinc/08/40/64/287084064.db2.gz OULCGXDLQHBFFZ-CRWXNKLISA-N 0 0 312.410 0.944 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000246528511 287085176 /nfs/dbraw/zinc/08/51/76/287085176.db2.gz UQWGODWENAFSCX-AVGNSLFASA-N 0 0 316.423 0.991 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000246563695 287085393 /nfs/dbraw/zinc/08/53/93/287085393.db2.gz FDHIIQSWCHGDSX-CYDGBPFRSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247029618 287090662 /nfs/dbraw/zinc/09/06/62/287090662.db2.gz IDEOBIIKEOCCFO-PSASIEDQSA-N 0 0 300.384 0.632 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1C ZINC000247082966 287090788 /nfs/dbraw/zinc/09/07/88/287090788.db2.gz LNPXPNIKWNVLDP-CHWSQXEVSA-N 0 0 306.428 0.148 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247136583 287091443 /nfs/dbraw/zinc/09/14/43/287091443.db2.gz QUTBWUOGYBXIOL-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000247964841 287095596 /nfs/dbraw/zinc/09/55/96/287095596.db2.gz GGDWVOMTMBWHGB-JHJVBQTASA-N 0 0 317.455 0.762 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000248372861 287096622 /nfs/dbraw/zinc/09/66/22/287096622.db2.gz DFPZNJUNMRHAPD-DGCLKSJQSA-N 0 0 304.412 0.643 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CCOC[C@H]1C ZINC000248840035 287101905 /nfs/dbraw/zinc/10/19/05/287101905.db2.gz FLJSEKVHESKEIQ-VXGBXAGGSA-N 0 0 306.428 0.447 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)C[C@@H](CO)O1 ZINC000248865361 287102329 /nfs/dbraw/zinc/10/23/29/287102329.db2.gz AVIUUVJIJQAASW-GRYCIOLGSA-N 0 0 311.407 0.720 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000248983207 287104576 /nfs/dbraw/zinc/10/45/76/287104576.db2.gz VWBZYUFPMROLND-XQQFMLRXSA-N 0 0 318.439 0.874 10 0 DCAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COCc2ccco2)n1 ZINC000249298820 287108649 /nfs/dbraw/zinc/10/86/49/287108649.db2.gz NRHMWBKUMNYHOZ-OCCSQVGLSA-N 0 0 323.349 0.922 10 0 DCAERN COc1ccc(CNC(=O)CN2CC[C@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581929 287115091 /nfs/dbraw/zinc/11/50/91/287115091.db2.gz RKPLOIQOCUIXDW-SWLSCSKDSA-N 0 0 319.405 0.897 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000249507170 287112341 /nfs/dbraw/zinc/11/23/41/287112341.db2.gz HUYSBRPYEXIIOP-STQMWFEESA-N 0 0 317.411 0.257 10 0 DCAERN CNC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737552 287117774 /nfs/dbraw/zinc/11/77/74/287117774.db2.gz FZEFUBGLDLIFQF-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)C1 ZINC000251843281 287119935 /nfs/dbraw/zinc/11/99/35/287119935.db2.gz MXENBXLMJGUGGD-AGIUHOORSA-N 0 0 312.414 0.857 10 0 DCAERN Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cc2cc[nH]n2)on1 ZINC000352899876 287163350 /nfs/dbraw/zinc/16/33/50/287163350.db2.gz SQNDZIGWDCQDNW-AAEUAGOBSA-N 0 0 321.356 0.977 10 0 DCAERN COCCN1[C@H](C)CN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246499107 685164515 /nfs/dbraw/zinc/16/45/15/685164515.db2.gz BBPNCDLTOCAWQM-MELADBBJSA-N 0 0 306.472 0.708 10 0 DCAERN CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246571245 287197015 /nfs/dbraw/zinc/19/70/15/287197015.db2.gz NZRZGVNSBNMQJP-HZSPNIEDSA-N 0 0 306.472 0.444 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CC(n2ccnn2)C1 ZINC000375888513 287228649 /nfs/dbraw/zinc/22/86/49/287228649.db2.gz FNCGGOMRIRTCLU-UHFFFAOYSA-N 0 0 300.384 0.266 10 0 DCAERN CCNC(=O)N1CC[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000471743691 412413273 /nfs/dbraw/zinc/41/32/73/412413273.db2.gz IEZDYIUIQSDKDL-MRVPVSSYSA-N 0 0 305.342 0.285 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000526959296 412459177 /nfs/dbraw/zinc/45/91/77/412459177.db2.gz DFPSVHKSFUOJEB-VIFPVBQESA-N 0 0 302.356 0.139 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000526959295 412459373 /nfs/dbraw/zinc/45/93/73/412459373.db2.gz DFPSVHKSFUOJEB-SECBINFHSA-N 0 0 302.356 0.139 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC(=O)N1 ZINC000408202773 287291702 /nfs/dbraw/zinc/29/17/02/287291702.db2.gz NXUBAAXFGBBERZ-WDEREUQCSA-N 0 0 316.423 0.327 10 0 DCAERN C1COCCOCCOCCOCCOCCOCCO1 ZINC000005134290 415132166 /nfs/dbraw/zinc/13/21/66/415132166.db2.gz XKEHLMZHBXCJGZ-UHFFFAOYSA-N 0 0 308.371 0.116 10 0 DCAERN NC(=O)c1cc(S(=O)(=O)NCCc2ccco2)cs1 ZINC000007006340 415136480 /nfs/dbraw/zinc/13/64/80/415136480.db2.gz NXVFTPLAQWIALY-UHFFFAOYSA-N 0 0 300.361 0.961 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)cc12 ZINC000268380157 415204187 /nfs/dbraw/zinc/20/41/87/415204187.db2.gz NVDLUIARDDMRNA-UHFFFAOYSA-N 0 0 322.390 0.916 10 0 DCAERN Cn1nccc1CNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000081658273 415484034 /nfs/dbraw/zinc/48/40/34/415484034.db2.gz OXMKDABGWGPKSW-UHFFFAOYSA-N 0 0 302.334 0.604 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCCOC2)cc1S(=O)(=O)N(C)C ZINC000084760377 415500518 /nfs/dbraw/zinc/50/05/18/415500518.db2.gz REWRCEZMQNLHRA-JTQLQIEISA-N 0 0 316.379 0.747 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000332676088 415433946 /nfs/dbraw/zinc/43/39/46/415433946.db2.gz CDRWCSLLNYNYIN-SDDRHHMPSA-N 0 0 305.382 0.727 10 0 DCAERN CO[C@](C)(CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C1CC1 ZINC000332878306 415502100 /nfs/dbraw/zinc/50/21/00/415502100.db2.gz UTJZLLYWJQCXON-SQWLQELKSA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)N(CC(N)=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000076685102 415458814 /nfs/dbraw/zinc/45/88/14/415458814.db2.gz YMGDRYLYWMYLSF-SNVBAGLBSA-N 0 0 309.332 0.983 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1cnn(C)c1 ZINC000078050490 415461200 /nfs/dbraw/zinc/46/12/00/415461200.db2.gz SFVHWNKNWFPDJB-UHFFFAOYSA-N 0 0 303.775 0.941 10 0 DCAERN C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1cccn1 ZINC000077222749 415461600 /nfs/dbraw/zinc/46/16/00/415461600.db2.gz DUXSDHRCIYSPPA-LBPRGKRZSA-N 0 0 313.361 0.979 10 0 DCAERN CN(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CCNC1=O ZINC000332799900 415479465 /nfs/dbraw/zinc/47/94/65/415479465.db2.gz RCDJXQRYILDPMX-AAEUAGOBSA-N 0 0 322.409 0.450 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)n(C)n1 ZINC000278928421 415512131 /nfs/dbraw/zinc/51/21/31/415512131.db2.gz SKCPTWLHSKHTGK-LRDDRELGSA-N 0 0 317.393 0.046 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000090509476 415532278 /nfs/dbraw/zinc/53/22/78/415532278.db2.gz IQRMHDAPFYVKNW-SNVBAGLBSA-N 0 0 308.313 0.106 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000333042067 415539784 /nfs/dbraw/zinc/53/97/84/415539784.db2.gz FJHUEJMMCMCHGQ-CQSZACIVSA-N 0 0 306.362 0.890 10 0 DCAERN C[C@@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091987661 415540881 /nfs/dbraw/zinc/54/08/81/415540881.db2.gz OEZFDNPIGZPYFC-JSGCOSHPSA-N 0 0 304.394 0.798 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000285020815 415606160 /nfs/dbraw/zinc/60/61/60/415606160.db2.gz OHYBLXDZFIDYJH-CABCVRRESA-N 0 0 317.389 0.865 10 0 DCAERN Cc1cccc(CNC(=O)NCCCN2C(=O)CCC2=O)n1 ZINC000106264217 415640737 /nfs/dbraw/zinc/64/07/37/415640737.db2.gz GNMFYKJWYCUZFO-UHFFFAOYSA-N 0 0 304.350 0.728 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCNC[C@@](C)(F)C1 ZINC000333418690 415644964 /nfs/dbraw/zinc/64/49/64/415644964.db2.gz SETMKXDBNGRFHY-MBNYWOFBSA-N 0 0 303.378 0.523 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000333239817 415592675 /nfs/dbraw/zinc/59/26/75/415592675.db2.gz IHWVRYRKMXHGJN-XNRPHZJLSA-N 0 0 310.394 0.794 10 0 DCAERN Cc1noc(C)c1CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000107331060 415662807 /nfs/dbraw/zinc/66/28/07/415662807.db2.gz KKDSGHNGPGKFIA-NSHDSACASA-N 0 0 310.398 0.854 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000107900334 415674842 /nfs/dbraw/zinc/67/48/42/415674842.db2.gz JXUFQDQCEVLRBN-SNVBAGLBSA-N 0 0 317.798 0.775 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)C2CC2)C1 ZINC000333533375 415675783 /nfs/dbraw/zinc/67/57/83/415675783.db2.gz MPGKWUKOBFFYHM-YPMHNXCESA-N 0 0 322.409 0.660 10 0 DCAERN CN1CCC[C@H](C(=O)N2CC[C@H](Oc3ccccn3)C2)C1=O ZINC000333605131 415695714 /nfs/dbraw/zinc/69/57/14/415695714.db2.gz VTAMVGLAPPJRJP-STQMWFEESA-N 0 0 303.362 0.930 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483314 415719649 /nfs/dbraw/zinc/71/96/49/415719649.db2.gz OFMWMUPMRBEUHD-CYBMUJFWSA-N 0 0 308.382 0.958 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000333646288 415704084 /nfs/dbraw/zinc/70/40/84/415704084.db2.gz VCQDBMUDEHYFPH-MNOVXSKESA-N 0 0 306.370 0.556 10 0 DCAERN Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1 ZINC000119060088 415735051 /nfs/dbraw/zinc/73/50/51/415735051.db2.gz BGCQZHUZENJAQK-UHFFFAOYSA-N 0 0 312.333 0.781 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC23CC3)c1 ZINC000425328685 287316601 /nfs/dbraw/zinc/31/66/01/287316601.db2.gz UNLRRJQPPHQYEV-CYBMUJFWSA-N 0 0 322.386 0.836 10 0 DCAERN Cc1noc(CCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n1 ZINC000120432467 415767027 /nfs/dbraw/zinc/76/70/27/415767027.db2.gz JFGBJVUVHQANAK-JTQLQIEISA-N 0 0 318.399 0.001 10 0 DCAERN CO[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000120407371 415767113 /nfs/dbraw/zinc/76/71/13/415767113.db2.gz FUGWNUZXQQTGFS-CABCVRRESA-N 0 0 308.378 0.183 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000150939188 196606632 /nfs/dbraw/zinc/60/66/32/196606632.db2.gz VCYNFLUNRIQRGY-AWEZNQCLSA-N 0 0 322.409 0.349 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000120523473 415769720 /nfs/dbraw/zinc/76/97/20/415769720.db2.gz UTYNMYBTEBZYMD-MNOVXSKESA-N 0 0 314.407 0.684 10 0 DCAERN O=C1NC[C@H]2CN(Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164273 415770873 /nfs/dbraw/zinc/77/08/73/415770873.db2.gz XVUYYAQPVQKMOB-ZDUSSCGKSA-N 0 0 315.373 0.370 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCSC[C@H]1C1CC1 ZINC000333958367 415772687 /nfs/dbraw/zinc/77/26/87/415772687.db2.gz IYGIMAASIYBHES-JTQLQIEISA-N 0 0 318.406 0.763 10 0 DCAERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000120666404 415778140 /nfs/dbraw/zinc/77/81/40/415778140.db2.gz ZRIPBKXVNJFVRO-HZMBPMFUSA-N 0 0 321.406 0.861 10 0 DCAERN C[C@H]1[C@H](CO)CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334048793 415793361 /nfs/dbraw/zinc/79/33/61/415793361.db2.gz QYGGFBOSDIUZGN-ZDEQEGDKSA-N 0 0 309.370 0.020 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCC[C@@H]1CO ZINC000121176523 415796102 /nfs/dbraw/zinc/79/61/02/415796102.db2.gz UFNGEVHQKLRIDN-SNVBAGLBSA-N 0 0 315.333 0.394 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121746173 415817537 /nfs/dbraw/zinc/81/75/37/415817537.db2.gz QTDXPAIEGMHGDG-VHSXEESVSA-N 0 0 314.363 0.043 10 0 DCAERN COc1cccc(CNC(=O)C(=O)c2c(C)nn(C)c2C)n1 ZINC000128404306 415897171 /nfs/dbraw/zinc/89/71/71/415897171.db2.gz DVSWQWMEDQHVNP-UHFFFAOYSA-N 0 0 302.334 0.940 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000337102091 415909820 /nfs/dbraw/zinc/90/98/20/415909820.db2.gz FQKGZOKKVCDONE-UHFFFAOYSA-N 0 0 308.378 0.799 10 0 DCAERN CCOc1cc(C(=O)N2CCN(C(=O)CO)CC2)ccc1C ZINC000129471679 415910185 /nfs/dbraw/zinc/91/01/85/415910185.db2.gz YESJQHXVGIVPHQ-UHFFFAOYSA-N 0 0 306.362 0.670 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1cccc2c1OCO2 ZINC000125235372 415861827 /nfs/dbraw/zinc/86/18/27/415861827.db2.gz GUFWNPXIDCPMSM-UHFFFAOYSA-N 0 0 301.302 0.783 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000133734148 415948242 /nfs/dbraw/zinc/94/82/42/415948242.db2.gz VCLMMGCONSAFOM-UHFFFAOYSA-N 0 0 304.350 0.040 10 0 DCAERN COc1cnc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000297105819 415951589 /nfs/dbraw/zinc/95/15/89/415951589.db2.gz MLYVUCNUDPNWKK-DGCLKSJQSA-N 0 0 321.381 0.670 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)[C@H]1CCCc2n[nH]cc21 ZINC000134290897 415956142 /nfs/dbraw/zinc/95/61/42/415956142.db2.gz PQIUSGHHBFADNL-JTQLQIEISA-N 0 0 304.350 0.485 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000152851104 415971574 /nfs/dbraw/zinc/97/15/74/415971574.db2.gz RGVFFNQILIBRDW-GXTWGEPZSA-N 0 0 303.362 0.885 10 0 DCAERN Cc1cnn(CCNC(=O)c2cc(C)ccc2S(N)(=O)=O)c1 ZINC000153110266 415975623 /nfs/dbraw/zinc/97/56/23/415975623.db2.gz FAJSUVXNVLSRCK-UHFFFAOYSA-N 0 0 322.390 0.577 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000153227754 415977087 /nfs/dbraw/zinc/97/70/87/415977087.db2.gz DSXQPXLYEGZFPT-KBPBESRZSA-N 0 0 301.431 0.659 10 0 DCAERN COc1cc2c(cc1CNC(=O)[C@H]1CNC(=O)C1)O[C@H](C)C2 ZINC000153173446 415977161 /nfs/dbraw/zinc/97/71/61/415977161.db2.gz JUIOTHFXIRRVSM-BXKDBHETSA-N 0 0 304.346 0.771 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCS1(=O)=O ZINC000153397849 415980715 /nfs/dbraw/zinc/98/07/15/415980715.db2.gz TYFGHKYKROHGPR-SNVBAGLBSA-N 0 0 320.374 0.731 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)C[C@@H](C)O)CC2 ZINC000155173890 415994213 /nfs/dbraw/zinc/99/42/13/415994213.db2.gz GAQKSZKPWMZGRR-IJLUTSLNSA-N 0 0 309.414 0.862 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)N(C)C)CC2 ZINC000156827444 415998217 /nfs/dbraw/zinc/99/82/17/415998217.db2.gz ILJJUASCMMSLSA-NSHDSACASA-N 0 0 322.413 0.494 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCS[C@@H](C)C2)C1 ZINC000132802730 415936822 /nfs/dbraw/zinc/93/68/22/415936822.db2.gz VLPRCZXUSOFDGW-QWRGUYRKSA-N 0 0 300.428 0.937 10 0 DCAERN CCN1CCO[C@H](C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000174536151 416079470 /nfs/dbraw/zinc/07/94/70/416079470.db2.gz WVRSVHHYYJUNBU-AWEZNQCLSA-N 0 0 306.362 0.810 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000172438107 416045265 /nfs/dbraw/zinc/04/52/65/416045265.db2.gz ILAWNCFMWGPZOW-UWVGGRQHSA-N 0 0 309.391 0.638 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000172438113 416045498 /nfs/dbraw/zinc/04/54/98/416045498.db2.gz ILAWNCFMWGPZOW-ZJUUUORDSA-N 0 0 309.391 0.638 10 0 DCAERN O=C(CC1(O)CCCC1)NCc1cccnc1-n1cncn1 ZINC000172324093 416046255 /nfs/dbraw/zinc/04/62/55/416046255.db2.gz COROQAMNRNBIJC-UHFFFAOYSA-N 0 0 301.350 0.974 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc12 ZINC000172747497 416046916 /nfs/dbraw/zinc/04/69/16/416046916.db2.gz OMSAENZNEXWWJB-ZDUSSCGKSA-N 0 0 315.377 0.813 10 0 DCAERN CC(C)CN(C(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C(C)C ZINC000172553209 416047402 /nfs/dbraw/zinc/04/74/02/416047402.db2.gz MDYZPERKDGWKKR-ZDUSSCGKSA-N 0 0 304.456 0.998 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](C)NC(N)=O)C2=O)cc1 ZINC000172844679 416049260 /nfs/dbraw/zinc/04/92/60/416049260.db2.gz GIYOJEJLNRSRGM-YPMHNXCESA-N 0 0 318.377 0.663 10 0 DCAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)N3CCCCC3)CCO2)[nH]1 ZINC000173352371 416057422 /nfs/dbraw/zinc/05/74/22/416057422.db2.gz RPKOYLSNUFPZHE-WCQYABFASA-N 0 0 307.398 0.887 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173415854 416057554 /nfs/dbraw/zinc/05/75/54/416057554.db2.gz GYOMFVNZVIUIAG-NEPJUHHUSA-N 0 0 316.427 0.343 10 0 DCAERN COCCCS(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173473121 416058293 /nfs/dbraw/zinc/05/82/93/416058293.db2.gz LCFWWIJJSCCANP-SNVBAGLBSA-N 0 0 303.428 0.924 10 0 DCAERN O=C(Cc1cccc(O)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000357297557 416058685 /nfs/dbraw/zinc/05/86/85/416058685.db2.gz DGLNLJQYTKTFEL-OAHLLOKOSA-N 0 0 318.373 0.831 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173534803 416059703 /nfs/dbraw/zinc/05/97/03/416059703.db2.gz QGMWUVYYNXQPML-NSHDSACASA-N 0 0 309.370 0.319 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000173537259 416060175 /nfs/dbraw/zinc/06/01/75/416060175.db2.gz DIPWIVYWFXTRMT-LBPRGKRZSA-N 0 0 304.354 0.596 10 0 DCAERN CCC(CC)[C@H](C(=O)N1CCNC(=O)CC1)N1CCOCC1 ZINC000173508620 416060541 /nfs/dbraw/zinc/06/05/41/416060541.db2.gz HUXDUJNPWDAGHR-OAHLLOKOSA-N 0 0 311.426 0.472 10 0 DCAERN CCc1nc(C2(NCCCC(=O)NC(N)=O)CCCC2)no1 ZINC000173696260 416064103 /nfs/dbraw/zinc/06/41/03/416064103.db2.gz PPZKKPDPYCONFV-UHFFFAOYSA-N 0 0 309.370 0.966 10 0 DCAERN CC[C@H](C)CS(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173735300 416064347 /nfs/dbraw/zinc/06/43/47/416064347.db2.gz OVVMXQKAUXYNQF-ONGXEEELSA-N 0 0 302.400 0.862 10 0 DCAERN CCc1nnsc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173840298 416065238 /nfs/dbraw/zinc/06/52/38/416065238.db2.gz YSLQLNGCKGYGGI-PWSUYJOCSA-N 0 0 310.423 0.893 10 0 DCAERN O=C(NCCc1cccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173773243 416065295 /nfs/dbraw/zinc/06/52/95/416065295.db2.gz LMCDXILXWYJPRW-OAHLLOKOSA-N 0 0 304.394 0.740 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941108 416069913 /nfs/dbraw/zinc/06/99/13/416069913.db2.gz FGQIOXYKCOKXGI-CABCVRRESA-N 0 0 313.442 0.324 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCOC)ncn1 ZINC000174000734 416071540 /nfs/dbraw/zinc/07/15/40/416071540.db2.gz ICYYDTXTBZCANZ-GFCCVEGCSA-N 0 0 322.413 0.823 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174008442 416071612 /nfs/dbraw/zinc/07/16/12/416071612.db2.gz BJBNUTNGNDORLT-CQSZACIVSA-N 0 0 321.352 0.697 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)C[S@](C)=O ZINC000300110330 416071976 /nfs/dbraw/zinc/07/19/76/416071976.db2.gz RFGVNFJRHJPYQA-HALYEIPWSA-N 0 0 311.425 0.015 10 0 DCAERN CCN(CCCNC(=O)[C@@H](C)c1cccnc1)S(C)(=O)=O ZINC000174164808 416073613 /nfs/dbraw/zinc/07/36/13/416073613.db2.gz ZLOHZZHIYQAFKK-LBPRGKRZSA-N 0 0 313.423 0.973 10 0 DCAERN CN(Cc1nnnn1C)C(=O)COc1cccc2cccnc21 ZINC000357408031 416074239 /nfs/dbraw/zinc/07/42/39/416074239.db2.gz ITLRQMPEMISOBV-UHFFFAOYSA-N 0 0 312.333 0.796 10 0 DCAERN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1F ZINC000174320086 416076511 /nfs/dbraw/zinc/07/65/11/416076511.db2.gz ZHNWECIHCFJUEX-QMMMGPOBSA-N 0 0 323.303 0.575 10 0 DCAERN CNS(=O)(=O)c1ccc(N(C)CC(=O)NC(C)(C)C)nc1 ZINC000301153470 416076854 /nfs/dbraw/zinc/07/68/54/416076854.db2.gz BQXSNORTXKXKBL-UHFFFAOYSA-N 0 0 314.411 0.341 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000158782194 416003092 /nfs/dbraw/zinc/00/30/92/416003092.db2.gz XTJJUHUIEHOZKW-QWRGUYRKSA-N 0 0 315.391 0.910 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000174408232 416078362 /nfs/dbraw/zinc/07/83/62/416078362.db2.gz FJPRKJVDXBZEFU-GFCCVEGCSA-N 0 0 311.407 0.679 10 0 DCAERN Cc1ccc([C@H]2CN(CC(=O)N[C@@H](C)C(=O)N(C)C)CCO2)o1 ZINC000159045616 416007053 /nfs/dbraw/zinc/00/70/53/416007053.db2.gz CORWVJLANCXAPO-GXTWGEPZSA-N 0 0 323.393 0.554 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000337844075 416014182 /nfs/dbraw/zinc/01/41/82/416014182.db2.gz HBUAAEVRTXYLJD-LBPRGKRZSA-N 0 0 321.421 0.905 10 0 DCAERN COCCOCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000164404449 416017699 /nfs/dbraw/zinc/01/76/99/416017699.db2.gz DGBLKLGCPNNMLN-DZGCQCFKSA-N 0 0 300.399 0.986 10 0 DCAERN CCNS(=O)(=O)c1ccccc1N1CCO[C@H](CO)C1 ZINC000167758443 416023863 /nfs/dbraw/zinc/02/38/63/416023863.db2.gz BMZRSOZPNCDAOL-NSHDSACASA-N 0 0 300.380 0.182 10 0 DCAERN C[C@H](C(=O)NC1(c2nn[n-]n2)CC1)[N@H+](C)Cc1ccccc1 ZINC000357043236 416025201 /nfs/dbraw/zinc/02/52/01/416025201.db2.gz HHLRABLTVMSSDO-LLVKDONJSA-N 0 0 300.366 0.826 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)c1ccnc2ccncc21 ZINC000357153956 416038779 /nfs/dbraw/zinc/03/87/79/416038779.db2.gz CHAIKEZWCJEGPY-GFCCVEGCSA-N 0 0 319.361 0.774 10 0 DCAERN CCOCC[N@@H+]1CCN(CCCS(N)(=O)=O)C[C@@H]1CC ZINC000171574681 416040519 /nfs/dbraw/zinc/04/05/19/416040519.db2.gz ATCDWQUGVLUZGI-ZDUSSCGKSA-N 0 0 307.460 0.098 10 0 DCAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000174742150 416085768 /nfs/dbraw/zinc/08/57/68/416085768.db2.gz UNJPSZLPXAEJGB-OPRDCNLKSA-N 0 0 308.382 0.836 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000174795586 416087229 /nfs/dbraw/zinc/08/72/29/416087229.db2.gz DWTLGDMGQBWXMZ-JTQLQIEISA-N 0 0 309.414 0.793 10 0 DCAERN O=C(NCC1(O)CCOCC1)[C@H]1CCCN1c1nccs1 ZINC000174815723 416087773 /nfs/dbraw/zinc/08/77/73/416087773.db2.gz XVRMMZURMRFMNL-LLVKDONJSA-N 0 0 311.407 0.770 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCCC[C@@H]1CCO ZINC000301599040 416088308 /nfs/dbraw/zinc/08/83/08/416088308.db2.gz HQWYFDJPDJEMRK-LLVKDONJSA-N 0 0 319.365 0.741 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CC(=O)N(C)C)C2)n1 ZINC000174920301 416090718 /nfs/dbraw/zinc/09/07/18/416090718.db2.gz HDCFPOVVRQROAL-CYBMUJFWSA-N 0 0 307.398 0.612 10 0 DCAERN Cc1cc(C)n(-c2ccc(NC[C@@H]3CN4CCN3CC4)nn2)n1 ZINC000301805566 416094023 /nfs/dbraw/zinc/09/40/23/416094023.db2.gz YFUQLWVOKCQIDP-CQSZACIVSA-N 0 0 313.409 0.691 10 0 DCAERN COC[C@@H](C)CS(=O)(=O)NC[C@@H](CO)c1ccccc1 ZINC000357541665 416094196 /nfs/dbraw/zinc/09/41/96/416094196.db2.gz JFJVWQQVWGHCBF-OCCSQVGLSA-N 0 0 301.408 0.964 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)C(N)=O)CC2 ZINC000357545503 416095641 /nfs/dbraw/zinc/09/56/41/416095641.db2.gz OZMTZIPJILLRLS-SNVBAGLBSA-N 0 0 321.377 0.052 10 0 DCAERN Cn1c(=O)c2cc(C(=O)NCC3(C)CCC3)cnc2n(C)c1=O ZINC000175085196 416096260 /nfs/dbraw/zinc/09/62/60/416096260.db2.gz GMAGAGBBQAPGSP-UHFFFAOYSA-N 0 0 316.361 0.552 10 0 DCAERN CCOC(=O)[C@@H](C)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000175156022 416097202 /nfs/dbraw/zinc/09/72/02/416097202.db2.gz MYSOPOARODSSEB-JTQLQIEISA-N 0 0 305.334 0.645 10 0 DCAERN Cn1ncc2c1nc(NCC(=O)NCc1ccco1)nc2N ZINC000302846737 416102052 /nfs/dbraw/zinc/10/20/52/416102052.db2.gz OEKWDIKKZMGKTL-UHFFFAOYSA-N 0 0 301.310 0.267 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000175293544 416102421 /nfs/dbraw/zinc/10/24/21/416102421.db2.gz PEDLCTGIWXJMLN-GHMZBOCLSA-N 0 0 301.412 0.316 10 0 DCAERN CC(C)[C@@H](NC(=O)CC1CCOCC1)C(=O)N1CCOCC1 ZINC000175298892 416103160 /nfs/dbraw/zinc/10/31/60/416103160.db2.gz HZABSYZWSQBZIP-OAHLLOKOSA-N 0 0 312.410 0.803 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000345495771 416103932 /nfs/dbraw/zinc/10/39/32/416103932.db2.gz VWKFCYYMVYXIAK-KBPBESRZSA-N 0 0 305.378 1.125 10 0 DCAERN CC(C)(C)OC(=O)N1CCC(N2CCCNS2(=O)=O)CC1 ZINC000309955453 416105641 /nfs/dbraw/zinc/10/56/41/416105641.db2.gz IJAQYQILZNHWOS-UHFFFAOYSA-N 0 0 319.427 0.926 10 0 DCAERN C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000312467196 416106086 /nfs/dbraw/zinc/10/60/86/416106086.db2.gz FGWVVISLRQYNPR-MRVPVSSYSA-N 0 0 303.359 0.670 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000312260133 416106459 /nfs/dbraw/zinc/10/64/59/416106459.db2.gz OFPUIIAIUDTWNP-JTQLQIEISA-N 0 0 316.345 0.962 10 0 DCAERN O=C(NCCCNC(=O)C1CCC1)NCCCN1CCCC1=O ZINC000175509134 416108883 /nfs/dbraw/zinc/10/88/83/416108883.db2.gz ZXXKNZIQXFADNF-UHFFFAOYSA-N 0 0 324.425 0.605 10 0 DCAERN O=S(=O)(c1c(F)cccc1F)N1CCC[C@@](O)(CO)C1 ZINC000313667792 416108926 /nfs/dbraw/zinc/10/89/26/416108926.db2.gz RSSFWFOJCUJLAY-LBPRGKRZSA-N 0 0 307.318 0.473 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@](O)(CO)C2)C1 ZINC000313651167 416109119 /nfs/dbraw/zinc/10/91/19/416109119.db2.gz BEAMIORZFKSDEQ-UPJWGTAASA-N 0 0 306.428 0.028 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC(O)(CO)CC2)c(C)s1 ZINC000313677350 416109613 /nfs/dbraw/zinc/10/96/13/416109613.db2.gz KIZLGQINVVJJRH-UHFFFAOYSA-N 0 0 305.421 0.873 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000314063123 416109984 /nfs/dbraw/zinc/10/99/84/416109984.db2.gz VSNRIVMSMVNZNS-CYBMUJFWSA-N 0 0 312.395 0.288 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000175816291 416114723 /nfs/dbraw/zinc/11/47/23/416114723.db2.gz WGKSQUAGXALAJG-CMPLNLGQSA-N 0 0 309.370 0.240 10 0 DCAERN COC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000357695281 416117394 /nfs/dbraw/zinc/11/73/94/416117394.db2.gz YXJKAYWBWBGQBX-UONOGXRCSA-N 0 0 322.361 0.541 10 0 DCAERN CSCCCCCNC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000357728485 416122329 /nfs/dbraw/zinc/12/23/29/416122329.db2.gz LAPIYJCFBZRLQS-VXGBXAGGSA-N 0 0 302.440 0.865 10 0 DCAERN NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000328602357 416123362 /nfs/dbraw/zinc/12/33/62/416123362.db2.gz BJFGOPLKWGCGON-IUCAKERBSA-N 0 0 309.345 0.576 10 0 DCAERN CC(C)c1noc([C@]2(O)CCN(S(=O)(=O)C3CC3)C2)n1 ZINC000328614380 416123752 /nfs/dbraw/zinc/12/37/52/416123752.db2.gz VWFJOUPJUOMPMX-LBPRGKRZSA-N 0 0 301.368 0.579 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655960 416124253 /nfs/dbraw/zinc/12/42/53/416124253.db2.gz YVVNTZVSFOKXSH-LLVKDONJSA-N 0 0 302.338 1.203 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCc2nc(C)no2)[C@@H](C)C1 ZINC000357744089 416125389 /nfs/dbraw/zinc/12/53/89/416125389.db2.gz KDFSMIHWWDTARV-JTQLQIEISA-N 0 0 309.370 0.573 10 0 DCAERN Nc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccnn3)CC2)cn1 ZINC000328636540 416126116 /nfs/dbraw/zinc/12/61/16/416126116.db2.gz OBNRVLDINLZQHB-GFCCVEGCSA-N 0 0 315.381 0.749 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCC3CCOCC3)CCO2)[nH]1 ZINC000178037422 416156620 /nfs/dbraw/zinc/15/66/20/416156620.db2.gz APJLSLJGFLITAZ-GFCCVEGCSA-N 0 0 323.397 0.877 10 0 DCAERN CC(C)OCCCCNC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000357760281 416127611 /nfs/dbraw/zinc/12/76/11/416127611.db2.gz VZTUQAQGVODZJW-OLZOCXBDSA-N 0 0 300.399 0.537 10 0 DCAERN CC(C)OCCCCNC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000357760280 416128256 /nfs/dbraw/zinc/12/82/56/416128256.db2.gz VZTUQAQGVODZJW-CHWSQXEVSA-N 0 0 300.399 0.537 10 0 DCAERN Cc1cccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1O ZINC000176487841 416128322 /nfs/dbraw/zinc/12/83/22/416128322.db2.gz XPAIBZSBKYIQNR-MRXNPFEDSA-N 0 0 308.378 0.514 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@@H](CO)C3CC3)sc2n1 ZINC000357776356 416130171 /nfs/dbraw/zinc/13/01/71/416130171.db2.gz UVYYWPOJHRGWEB-JTQLQIEISA-N 0 0 308.407 1.534 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000328841202 416134612 /nfs/dbraw/zinc/13/46/12/416134612.db2.gz PIICOFYOHDPVMP-KGLIPLIRSA-N 0 0 317.455 0.368 10 0 DCAERN Cc1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c(O)c1 ZINC000176902880 416135689 /nfs/dbraw/zinc/13/56/89/416135689.db2.gz XQPBXBYYXOILBE-MRXNPFEDSA-N 0 0 308.378 0.514 10 0 DCAERN NS(=O)(=O)CCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178019290 416156861 /nfs/dbraw/zinc/15/68/61/416156861.db2.gz RVYFZFBEHCDFHP-CYBMUJFWSA-N 0 0 300.380 0.444 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC000328892089 416137128 /nfs/dbraw/zinc/13/71/28/416137128.db2.gz SXRLBISEFXBGFN-CHWSQXEVSA-N 0 0 301.350 0.274 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176990683 416137866 /nfs/dbraw/zinc/13/78/66/416137866.db2.gz YLEUWDJMQCBJFT-QWHCGFSZSA-N 0 0 305.444 0.226 10 0 DCAERN CCCCN(C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176990997 416138778 /nfs/dbraw/zinc/13/87/78/416138778.db2.gz XYWADNSAUMDYLF-UONOGXRCSA-N 0 0 319.471 0.616 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1N1CCOCC1 ZINC000177227264 416143163 /nfs/dbraw/zinc/14/31/63/416143163.db2.gz ZAWKMDDCTZHXEI-MNOVXSKESA-N 0 0 311.411 0.129 10 0 DCAERN CNC(=O)Cc1nc(CN(C)CCN2CCOCC2)cs1 ZINC000177604318 416148433 /nfs/dbraw/zinc/14/84/33/416148433.db2.gz SVEAOTHMOJIVPJ-UHFFFAOYSA-N 0 0 312.439 0.196 10 0 DCAERN C[C@@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000345779272 416148743 /nfs/dbraw/zinc/14/87/43/416148743.db2.gz LKUJGECUDOTCDG-BJJXKVORSA-N 0 0 318.373 0.396 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177628109 416150236 /nfs/dbraw/zinc/15/02/36/416150236.db2.gz RKMMJHDPDGWNGX-JTQLQIEISA-N 0 0 317.324 0.795 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177748319 416150854 /nfs/dbraw/zinc/15/08/54/416150854.db2.gz HJVHSVNLKPOMNH-CYBMUJFWSA-N 0 0 313.423 0.945 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000329146346 416152769 /nfs/dbraw/zinc/15/27/69/416152769.db2.gz XEVSOKUQHURBJJ-ZBFHGGJFSA-N 0 0 309.410 0.057 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCc2cccc3cccnc32)n1 ZINC000357919756 416153098 /nfs/dbraw/zinc/15/30/98/416153098.db2.gz ANHRBLPFQPBATP-UHFFFAOYSA-N 0 0 323.356 0.901 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)COC ZINC000177972649 416154900 /nfs/dbraw/zinc/15/49/00/416154900.db2.gz RBECXXHHWLRDTH-MNOVXSKESA-N 0 0 311.386 0.841 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CN2CCN1CC2)C(C)C ZINC000178650566 416168170 /nfs/dbraw/zinc/16/81/70/416168170.db2.gz HYUMQMQDRZSZRT-GDBMZVCRSA-N 0 0 324.469 0.289 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(C)C ZINC000178707300 416168699 /nfs/dbraw/zinc/16/86/99/416168699.db2.gz FXTCROONWSDXKP-OAHLLOKOSA-N 0 0 306.362 0.887 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)NC)C(C)C)C1 ZINC000178677488 416169092 /nfs/dbraw/zinc/16/90/92/416169092.db2.gz ZVYVAHZULDMAKZ-OCCSQVGLSA-N 0 0 311.426 0.912 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000178720828 416170798 /nfs/dbraw/zinc/17/07/98/416170798.db2.gz DKXVZKGKLWQTSU-SNVBAGLBSA-N 0 0 304.354 0.242 10 0 DCAERN O=C(CCn1cnc2ccccc21)NC[C@@H]1CN2CCN1CC2 ZINC000178975352 416179217 /nfs/dbraw/zinc/17/92/17/416179217.db2.gz JIZSZWAVFGRHAO-CQSZACIVSA-N 0 0 313.405 0.542 10 0 DCAERN Cc1ccc(CN(C(=O)CN2C[C@H](O)C[C@@H]2CO)C2CC2)o1 ZINC000179172559 416182993 /nfs/dbraw/zinc/18/29/93/416182993.db2.gz VSOBBKSKSOHTDR-ZIAGYGMSSA-N 0 0 308.378 0.507 10 0 DCAERN COC[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000179297621 416184667 /nfs/dbraw/zinc/18/46/67/416184667.db2.gz IAUUGQDJENLVNC-CABCVRRESA-N 0 0 320.389 0.805 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000179185070 416185508 /nfs/dbraw/zinc/18/55/08/416185508.db2.gz MRTUJTFFUZCIIM-UKRRQHHQSA-N 0 0 319.405 0.062 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179297082 416185560 /nfs/dbraw/zinc/18/55/60/416185560.db2.gz WVAQJZBRRHAHCU-AAEUAGOBSA-N 0 0 304.412 0.079 10 0 DCAERN C[N@@H+]1CC[C@H](NC(=O)N2CCNC(=O)CC2)[C@@H]1c1ccccc1 ZINC000179480633 416187936 /nfs/dbraw/zinc/18/79/36/416187936.db2.gz CCLRCBZSTAZKRO-HOCLYGCPSA-N 0 0 316.405 0.963 10 0 DCAERN O=C(/C=C/c1ccc(Cl)nc1)NC[C@@H]1CN2CCN1CC2 ZINC000179455145 416188361 /nfs/dbraw/zinc/18/83/61/416188361.db2.gz LAUXXQYNBFUHAK-CXLRFSCWSA-N 0 0 306.797 0.864 10 0 DCAERN COCc1ccsc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000179885375 416191616 /nfs/dbraw/zinc/19/16/16/416191616.db2.gz GCYRKVNDBGGUEG-GFCCVEGCSA-N 0 0 314.407 0.317 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(Cl)c1 ZINC000179688234 416191730 /nfs/dbraw/zinc/19/17/30/416191730.db2.gz ZZQHZIWUILEBHX-JTQLQIEISA-N 0 0 318.782 0.523 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000179687994 416192120 /nfs/dbraw/zinc/19/21/20/416192120.db2.gz BXLXDVKGKWDJOX-AWEZNQCLSA-N 0 0 322.386 0.490 10 0 DCAERN CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180279371 416196129 /nfs/dbraw/zinc/19/61/29/416196129.db2.gz PWDKNDBDRHUPOQ-MRVPVSSYSA-N 0 0 320.440 0.434 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)n(C)n1 ZINC000180777284 416200683 /nfs/dbraw/zinc/20/06/83/416200683.db2.gz OYILLIWGRKVCTI-LBPRGKRZSA-N 0 0 323.397 0.198 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CCOCC(F)(F)F)cn1 ZINC000181363566 416205538 /nfs/dbraw/zinc/20/55/38/416205538.db2.gz SEEQHLOBSUVTCU-LLVKDONJSA-N 0 0 320.315 0.862 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181354802 416206537 /nfs/dbraw/zinc/20/65/37/416206537.db2.gz ZMUJFQITKXXWOW-NXEZZACHSA-N 0 0 300.384 0.539 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181342097 416206567 /nfs/dbraw/zinc/20/65/67/416206567.db2.gz LSYNRYLKPURXOV-DGCLKSJQSA-N 0 0 321.425 0.444 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2cc(C(N)=O)cs2)cn1 ZINC000181324901 416206843 /nfs/dbraw/zinc/20/68/43/416206843.db2.gz KKPMEWXSTBQBJB-LLVKDONJSA-N 0 0 319.390 0.367 10 0 DCAERN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)Cn1ncn(C)c1=O ZINC000181436795 416208522 /nfs/dbraw/zinc/20/85/22/416208522.db2.gz HJRHLEKSVNQUAX-GXTWGEPZSA-N 0 0 316.361 0.570 10 0 DCAERN CC(C)COC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000181425656 416208848 /nfs/dbraw/zinc/20/88/48/416208848.db2.gz FBMYROXOFXIYGN-AWEZNQCLSA-N 0 0 312.410 0.756 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000358192454 416209237 /nfs/dbraw/zinc/20/92/37/416209237.db2.gz PYMWLBSIGAYMAC-ZDUSSCGKSA-N 0 0 315.439 0.372 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C)CC1 ZINC000347090230 416211660 /nfs/dbraw/zinc/21/16/60/416211660.db2.gz IWBDLWPOYBENKS-IFWUJCSASA-N 0 0 323.393 0.590 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729783 416212013 /nfs/dbraw/zinc/21/20/13/416212013.db2.gz QGDJBDKBOORXSU-MNOVXSKESA-N 0 0 316.427 0.671 10 0 DCAERN O=C(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)NCC1CC1 ZINC000182055051 416214745 /nfs/dbraw/zinc/21/47/45/416214745.db2.gz FDQSCSIFYVQRNY-NSHDSACASA-N 0 0 309.288 0.221 10 0 DCAERN CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](CO)C2CC2)o1 ZINC000358292063 416219951 /nfs/dbraw/zinc/21/99/51/416219951.db2.gz AGTFKKUAECPUJA-JTQLQIEISA-N 0 0 316.379 0.077 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000358296653 416222074 /nfs/dbraw/zinc/22/20/74/416222074.db2.gz CGZZVMCYXLFUBU-ZJUUUORDSA-N 0 0 308.300 0.532 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC[C@@H](CO)C1CC1)n1cccn1 ZINC000358302222 416222276 /nfs/dbraw/zinc/22/22/76/416222276.db2.gz JNEYFRKIWDIJKS-YPMHNXCESA-N 0 0 308.382 0.037 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@H]2c2nc[nH]n2)C1 ZINC000182695418 416230426 /nfs/dbraw/zinc/23/04/26/416230426.db2.gz KEEWIPXBKTWXGH-RYUDHWBXSA-N 0 0 320.397 0.056 10 0 DCAERN O=C1NCC[C@H]1N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000178199719 416159407 /nfs/dbraw/zinc/15/94/07/416159407.db2.gz GWIWEVPETKBTTD-GFCCVEGCSA-N 0 0 305.382 0.343 10 0 DCAERN CCOC(=O)CCCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178610499 416166064 /nfs/dbraw/zinc/16/60/64/416166064.db2.gz DXBAXEIDLMLTPG-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN COc1c(NC(=O)N2CC(n3ccnn3)C2)cccc1C(N)=O ZINC000358469368 416242363 /nfs/dbraw/zinc/24/23/63/416242363.db2.gz AVHXSORIBCVHLD-UHFFFAOYSA-N 0 0 316.321 0.474 10 0 DCAERN CC(C)C[C@H](C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000184690427 416252829 /nfs/dbraw/zinc/25/28/29/416252829.db2.gz IVBNVZOEDONIQE-NWDGAFQWSA-N 0 0 318.439 0.478 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccc([S@@](C)=O)cc2)C1 ZINC000185261729 416253808 /nfs/dbraw/zinc/25/38/08/416253808.db2.gz NOUOZMZRWQDKIL-OAQYLSRUSA-N 0 0 310.375 0.011 10 0 DCAERN CC1CCC(N(C(=O)CN2C[C@H](O)C[C@@H]2CO)C2CC2)CC1 ZINC000185185540 416253857 /nfs/dbraw/zinc/25/38/57/416253857.db2.gz INEZPHSRPHHYLH-BCAXMMLOSA-N 0 0 310.438 0.984 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCCC[C@@]1(C)C(N)=O ZINC000185923988 416253878 /nfs/dbraw/zinc/25/38/78/416253878.db2.gz BELQESXWKNHIFD-HNNXBMFYSA-N 0 0 307.398 0.108 10 0 DCAERN Cc1cc(N2CCN(CC(=O)Nc3c(C)n[nH]c3C)CC2)n[nH]1 ZINC000187210982 416260642 /nfs/dbraw/zinc/26/06/42/416260642.db2.gz FKJDKERPZYYXPM-UHFFFAOYSA-N 0 0 317.397 0.819 10 0 DCAERN CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cnccn1 ZINC000358616605 416261046 /nfs/dbraw/zinc/26/10/46/416261046.db2.gz PXCRCVPJWADKQS-YPMHNXCESA-N 0 0 306.366 0.366 10 0 DCAERN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cnccn1 ZINC000358616601 416261582 /nfs/dbraw/zinc/26/15/82/416261582.db2.gz PXCRCVPJWADKQS-DGCLKSJQSA-N 0 0 306.366 0.366 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(CC(=O)OC)c1 ZINC000188905005 416263979 /nfs/dbraw/zinc/26/39/79/416263979.db2.gz HZQVAYQTQIFEOJ-ZDUSSCGKSA-N 0 0 304.346 0.753 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1CCO ZINC000188701780 416264868 /nfs/dbraw/zinc/26/48/68/416264868.db2.gz HFXPHLNNGXYFMQ-GTJPDFRWSA-N 0 0 310.419 0.563 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000358674535 416265514 /nfs/dbraw/zinc/26/55/14/416265514.db2.gz ZRCWLFUSRCXEHL-VHSXEESVSA-N 0 0 323.315 0.467 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H](C)[C@@H]2CO)cc1 ZINC000189462929 416266767 /nfs/dbraw/zinc/26/67/67/416266767.db2.gz VGUMITKULFUWPI-FZMZJTMJSA-N 0 0 306.362 0.654 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000358689353 416269240 /nfs/dbraw/zinc/26/92/40/416269240.db2.gz MGCSXSAJVAXMBO-GXTWGEPZSA-N 0 0 309.410 0.857 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CC1(CO)CC1)C(=O)OC ZINC000190042887 416274199 /nfs/dbraw/zinc/27/41/99/416274199.db2.gz MTANXTUCVZGLOC-AAEUAGOBSA-N 0 0 300.399 0.395 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCC1=O ZINC000190035036 416274334 /nfs/dbraw/zinc/27/43/34/416274334.db2.gz GLOZSIDIIDGOHF-GXSJLCMTSA-N 0 0 304.412 0.436 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)C(F)(F)C2(O)CCC2)cn1 ZINC000190024882 416274701 /nfs/dbraw/zinc/27/47/01/416274701.db2.gz LDXPRWFBLORBEO-WDEREUQCSA-N 0 0 315.320 0.917 10 0 DCAERN COC(=O)[C@H](NCC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000358813587 416277674 /nfs/dbraw/zinc/27/76/74/416277674.db2.gz LPKZMQQVSQQOFX-GFCCVEGCSA-N 0 0 304.412 0.199 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@@H](C)O1 ZINC000183258543 416239919 /nfs/dbraw/zinc/23/99/19/416239919.db2.gz LETAKLPXZRRAHA-YPMHNXCESA-N 0 0 309.366 0.942 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192210345 416300764 /nfs/dbraw/zinc/30/07/64/416300764.db2.gz QMKWVBQSLNOTPY-ZDUSSCGKSA-N 0 0 307.325 0.179 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192205835 416300946 /nfs/dbraw/zinc/30/09/46/416300946.db2.gz AWWCCXNDTJOGKJ-CQSZACIVSA-N 0 0 321.352 0.521 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C)C1 ZINC000359059551 416304201 /nfs/dbraw/zinc/30/42/01/416304201.db2.gz BBUCUQLSYHKHGO-WCQYABFASA-N 0 0 324.425 0.648 10 0 DCAERN CC[C@@H](O)CCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000359064981 416304484 /nfs/dbraw/zinc/30/44/84/416304484.db2.gz GQPNEDRBYHKOTF-OLZOCXBDSA-N 0 0 313.398 0.227 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)O)ncn1 ZINC000192512002 416306704 /nfs/dbraw/zinc/30/67/04/416306704.db2.gz USHNJNBAGUVTMO-MNOVXSKESA-N 0 0 308.386 0.167 10 0 DCAERN COCCN1C[C@H](C(=O)NCCc2c(C)nn(C)c2C)CC1=O ZINC000193302676 416314409 /nfs/dbraw/zinc/31/44/09/416314409.db2.gz MCRQFFHOVYQRQG-CYBMUJFWSA-N 0 0 322.409 0.191 10 0 DCAERN CCc1ncc(S(=O)(=O)N(C)Cc2nnnn2C)s1 ZINC000359211679 416314586 /nfs/dbraw/zinc/31/45/86/416314586.db2.gz UPXGVNBPFUSNHS-UHFFFAOYSA-N 0 0 302.385 0.050 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193311325 416315826 /nfs/dbraw/zinc/31/58/26/416315826.db2.gz SUJVPXOHMZIXHI-UHFFFAOYSA-N 0 0 302.334 0.701 10 0 DCAERN C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CO ZINC000193496090 416316975 /nfs/dbraw/zinc/31/69/75/416316975.db2.gz MXFGVLVLYIHEFN-WDEREUQCSA-N 0 0 319.361 0.697 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193496100 416318118 /nfs/dbraw/zinc/31/81/18/416318118.db2.gz MXFGVLVLYIHEFN-MNOVXSKESA-N 0 0 319.361 0.697 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)s1 ZINC000190531975 416279509 /nfs/dbraw/zinc/27/95/09/416279509.db2.gz AZYPRRRNNGRACG-SECBINFHSA-N 0 0 324.406 0.771 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cc1 ZINC000331198236 416284245 /nfs/dbraw/zinc/28/42/45/416284245.db2.gz VLOSYZTUUFWPMR-LSDHHAIUSA-N 0 0 319.361 0.243 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000358938401 416295664 /nfs/dbraw/zinc/29/56/64/416295664.db2.gz LOCDQXMHTCSVJO-NSHDSACASA-N 0 0 306.366 0.558 10 0 DCAERN CC(C)S(=O)(=O)CCCN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246795710 416332264 /nfs/dbraw/zinc/33/22/64/416332264.db2.gz XVGCEZVTRGXHTO-HUUCEWRRSA-N 0 0 318.483 0.852 10 0 DCAERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)N1CCOCC1 ZINC000359783777 416358419 /nfs/dbraw/zinc/35/84/19/416358419.db2.gz HGUVOSMMIHNRQX-IUCAKERBSA-N 0 0 302.318 0.836 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc3c(c2)OCC(=O)N3)n1 ZINC000263291730 416337595 /nfs/dbraw/zinc/33/75/95/416337595.db2.gz VTSAKJOQIDKIOO-LLVKDONJSA-N 0 0 315.333 0.644 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000359525786 416349427 /nfs/dbraw/zinc/34/94/27/416349427.db2.gz PWAGIVVFBRHXRB-QWRGUYRKSA-N 0 0 311.382 0.781 10 0 DCAERN C[C@H](CNC(=O)c1cc(F)c(F)c(F)c1F)S(N)(=O)=O ZINC000359568623 416350700 /nfs/dbraw/zinc/35/07/00/416350700.db2.gz WXMHCKAJMSNTNT-SCSAIBSYSA-N 0 0 314.260 0.650 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2cnnn2C)no1 ZINC000359739632 416356234 /nfs/dbraw/zinc/35/62/34/416356234.db2.gz MZZQTSYAJJWVDI-UHFFFAOYSA-N 0 0 322.325 0.324 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CNC(=O)C1)N1CCc2sccc2C1 ZINC000194797987 416324317 /nfs/dbraw/zinc/32/43/17/416324317.db2.gz DYMPKXRKCCUMKC-ZYHUDNBSSA-N 0 0 307.419 0.747 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCC2(SC)CC2)CC1 ZINC000195134637 416325421 /nfs/dbraw/zinc/32/54/21/416325421.db2.gz MUUIMKRRIHBNKZ-LBPRGKRZSA-N 0 0 301.456 0.980 10 0 DCAERN CCCS(=O)(=O)CCN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246495924 416331965 /nfs/dbraw/zinc/33/19/65/416331965.db2.gz PPYVBJSLGRINCM-KGLIPLIRSA-N 0 0 304.456 0.464 10 0 DCAERN COC(=O)COc1cccc(C(=O)NC[C@@H](CO)C2CC2)c1 ZINC000359814764 416360345 /nfs/dbraw/zinc/36/03/45/416360345.db2.gz ALKYTENQOVGWBI-ZDUSSCGKSA-N 0 0 307.346 0.987 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359822198 416360746 /nfs/dbraw/zinc/36/07/46/416360746.db2.gz LZRKZJUGLQBFQI-CQSZACIVSA-N 0 0 320.389 0.950 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000360333554 416386297 /nfs/dbraw/zinc/38/62/97/416386297.db2.gz IVGANOKXTHDQKF-LLVKDONJSA-N 0 0 323.422 0.609 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@@H](C)CCO)no1 ZINC000360437658 416390235 /nfs/dbraw/zinc/39/02/35/416390235.db2.gz NNUSAEKNSARQOD-VHSXEESVSA-N 0 0 300.359 0.985 10 0 DCAERN COc1ccc(CN(C)C(=O)CN2CC(=O)N(C)C2)cc1F ZINC000360470027 416392069 /nfs/dbraw/zinc/39/20/69/416392069.db2.gz QPVGINKDVVHIHR-UHFFFAOYSA-N 0 0 309.341 0.524 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000360694547 416404145 /nfs/dbraw/zinc/40/41/45/416404145.db2.gz IWVJYKZKISVTAE-DOMZBBRYSA-N 0 0 320.389 0.709 10 0 DCAERN NC(=O)C1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000360700365 416404762 /nfs/dbraw/zinc/40/47/62/416404762.db2.gz LNQDPTCJWIKBCA-UHFFFAOYSA-N 0 0 301.350 0.970 10 0 DCAERN O=C(c1cc[nH]c1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819611 416411950 /nfs/dbraw/zinc/41/19/50/416411950.db2.gz UYFNJVWOSCVWRH-LLVKDONJSA-N 0 0 311.407 0.949 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccn(C(F)F)n1 ZINC000361610109 416462046 /nfs/dbraw/zinc/46/20/46/416462046.db2.gz KYCAQACRNHLWPC-SECBINFHSA-N 0 0 323.321 0.050 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000458390766 416463771 /nfs/dbraw/zinc/46/37/71/416463771.db2.gz HBNXOCPFEVKXQA-SDDRHHMPSA-N 0 0 313.427 0.612 10 0 DCAERN Cc1ccc(C[C@@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000458436536 416467667 /nfs/dbraw/zinc/46/76/67/416467667.db2.gz PKZHERAWPZAFOH-PWSUYJOCSA-N 0 0 323.422 0.939 10 0 DCAERN CC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)[C@H](C)C1 ZINC000533346579 416486390 /nfs/dbraw/zinc/48/63/90/416486390.db2.gz QMTXZLNUXZILNU-LLVKDONJSA-N 0 0 310.398 0.307 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000434645806 416489047 /nfs/dbraw/zinc/48/90/47/416489047.db2.gz NAYARFKPYFSOPR-HIFRSBDPSA-N 0 0 320.389 0.805 10 0 DCAERN CNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434665226 416489672 /nfs/dbraw/zinc/48/96/72/416489672.db2.gz NLXCGWFSFOJDNX-ZETCQYMHSA-N 0 0 310.379 0.069 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCC(=O)NCC(F)F)[nH]n1 ZINC000361540729 416445697 /nfs/dbraw/zinc/44/56/97/416445697.db2.gz JWZSAODWJNNSDY-SSDOTTSWSA-N 0 0 303.313 0.330 10 0 DCAERN CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)NC ZINC000458379352 416460728 /nfs/dbraw/zinc/46/07/28/416460728.db2.gz YEOWAOHAXSZZTE-CHWSQXEVSA-N 0 0 318.377 0.616 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)NC[C@H](CO)c1ccccc1 ZINC000459111671 416523608 /nfs/dbraw/zinc/52/36/08/416523608.db2.gz CWSKHLQQRBLEBP-RBSFLKMASA-N 0 0 308.378 0.866 10 0 DCAERN C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361929541 416523772 /nfs/dbraw/zinc/52/37/72/416523772.db2.gz YRPBWAOLNQCRIY-GZTOBOFZSA-N 0 0 308.382 0.925 10 0 DCAERN CCOc1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000459304528 416531666 /nfs/dbraw/zinc/53/16/66/416531666.db2.gz UJDXMDMYEQUPBR-GFCCVEGCSA-N 0 0 305.338 0.859 10 0 DCAERN NS(=O)(=O)CCOCCNC(=O)N[C@H]1CCC12CCCC2 ZINC000458732437 416495646 /nfs/dbraw/zinc/49/56/46/416495646.db2.gz SSSIACKKTOBIQJ-NSHDSACASA-N 0 0 319.427 0.314 10 0 DCAERN COC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1CCCO1 ZINC000434869298 416501793 /nfs/dbraw/zinc/50/17/93/416501793.db2.gz OMWXYMFPXGCYBS-YIZRAAEISA-N 0 0 300.277 0.403 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000534553019 416504010 /nfs/dbraw/zinc/50/40/10/416504010.db2.gz VWXKVSMRLCMYLV-UHFFFAOYSA-N 0 0 314.349 0.375 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cn1 ZINC000361891261 416517863 /nfs/dbraw/zinc/51/78/63/416517863.db2.gz WPSMGTQVYJUIQO-MEBBXXQBSA-N 0 0 322.365 0.196 10 0 DCAERN Cc1nc(CN(C)CC(=O)NC[C@H]2Cc3ccccc3O2)no1 ZINC000541026014 416603461 /nfs/dbraw/zinc/60/34/61/416603461.db2.gz HATLITWVNWDAPG-CYBMUJFWSA-N 0 0 316.361 0.930 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCC(=O)c1ccccc1 ZINC000541701841 416610792 /nfs/dbraw/zinc/61/07/92/416610792.db2.gz XTZHLBZDAVOUQA-HNNXBMFYSA-N 0 0 317.389 0.002 10 0 DCAERN CC1=C(C)CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000362320420 416566242 /nfs/dbraw/zinc/56/62/42/416566242.db2.gz HUNAUNBTSMDIQS-UHFFFAOYSA-N 0 0 305.382 1.540 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(COC)n1 ZINC000362662379 416568929 /nfs/dbraw/zinc/56/89/29/416568929.db2.gz IFBRXRCJORPMDF-QWRGUYRKSA-N 0 0 324.381 0.800 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000538821783 416573264 /nfs/dbraw/zinc/57/32/64/416573264.db2.gz BGCDTYYDBPWTJZ-ITGUQSILSA-N 0 0 315.439 0.467 10 0 DCAERN C[S@](=O)C1(CNC(=O)NCc2nnc3ccccn32)CCC1 ZINC000437625460 416586331 /nfs/dbraw/zinc/58/63/31/416586331.db2.gz LGWMVHPNDXSJMK-QFIPXVFZSA-N 0 0 321.406 0.830 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000540309288 416589747 /nfs/dbraw/zinc/58/97/47/416589747.db2.gz QXSXRRPSJDHXOQ-SNVBAGLBSA-N 0 0 305.334 0.561 10 0 DCAERN CC[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)C(=O)N1CCOCC1 ZINC000439638581 416619313 /nfs/dbraw/zinc/61/93/13/416619313.db2.gz ISVYJEBHOYJRIZ-RWMBFGLXSA-N 0 0 313.398 0.227 10 0 DCAERN CCOC(=O)[C@H](CC(C)C)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366134662 416619330 /nfs/dbraw/zinc/61/93/30/416619330.db2.gz ZRQXLDNECALFFY-NHYWBVRUSA-N 0 0 311.382 0.638 10 0 DCAERN CN(C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1)C1CC(O)C1 ZINC000439862238 416623209 /nfs/dbraw/zinc/62/32/09/416623209.db2.gz YQWFVOUVPNEHJD-UHFFFAOYSA-N 0 0 317.345 0.344 10 0 DCAERN C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440064093 416625496 /nfs/dbraw/zinc/62/54/96/416625496.db2.gz RQYCPECOSXGYQZ-NSHDSACASA-N 0 0 319.361 0.639 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000440080239 416625870 /nfs/dbraw/zinc/62/58/70/416625870.db2.gz OICAQHMAZZSTAE-NSHDSACASA-N 0 0 317.345 0.203 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367527222 416647658 /nfs/dbraw/zinc/64/76/58/416647658.db2.gz MUUUSFCQQHDQNY-YIYPIFLZSA-N 0 0 310.394 0.507 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000443275468 416747571 /nfs/dbraw/zinc/74/75/71/416747571.db2.gz RVHVJFIVWBDIKJ-UHFFFAOYSA-N 0 0 309.366 1.286 10 0 DCAERN C[C@@H](NC(=O)N(C)CCCO)c1cccc(S(N)(=O)=O)c1 ZINC000442369772 416693150 /nfs/dbraw/zinc/69/31/50/416693150.db2.gz ZYLHTWDUJRWXRS-SNVBAGLBSA-N 0 0 315.395 0.419 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](O)C3(CC3)C2)c(F)c1 ZINC000368801050 416693281 /nfs/dbraw/zinc/69/32/81/416693281.db2.gz VJWSUBYFZVTUIP-LBPRGKRZSA-N 0 0 300.355 0.695 10 0 DCAERN CNC(=O)NCC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000442763658 416711539 /nfs/dbraw/zinc/71/15/39/416711539.db2.gz DSCCOLFMOLPGOW-UHFFFAOYSA-N 0 0 317.353 0.201 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1O ZINC000614861294 416718923 /nfs/dbraw/zinc/71/89/23/416718923.db2.gz LRFWJPQSEDYJHO-SNVBAGLBSA-N 0 0 315.333 0.758 10 0 DCAERN COC[C@H](O)CNC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000556969112 416721975 /nfs/dbraw/zinc/72/19/75/416721975.db2.gz AKUFKHBKZPMPHD-CQSZACIVSA-N 0 0 309.366 0.652 10 0 DCAERN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)CCCO ZINC000443004410 416725445 /nfs/dbraw/zinc/72/54/45/416725445.db2.gz SQIKDSWCWQPXHA-SNVBAGLBSA-N 0 0 304.350 0.522 10 0 DCAERN CN(CCCO)S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000443097871 416732443 /nfs/dbraw/zinc/73/24/43/416732443.db2.gz ZVPZECSFPLTKKK-UHFFFAOYSA-N 0 0 310.379 0.329 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000557378881 416733380 /nfs/dbraw/zinc/73/33/80/416733380.db2.gz WZABWVBRLUVZSM-LLVKDONJSA-N 0 0 302.334 0.504 10 0 DCAERN CN(C)C(=O)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000516702734 416734824 /nfs/dbraw/zinc/73/48/24/416734824.db2.gz XRAHTPFLAIXSNR-UHFFFAOYSA-N 0 0 315.381 0.965 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@@H]1CCO[C@H]1c1cccnc1 ZINC000623077171 416739025 /nfs/dbraw/zinc/73/90/25/416739025.db2.gz GLUGAWAPQJTHMG-PWSUYJOCSA-N 0 0 309.351 0.019 10 0 DCAERN Cc1ncc(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)s1 ZINC000443430717 416757390 /nfs/dbraw/zinc/75/73/90/416757390.db2.gz UBQVTWMVYFCVPW-VIFPVBQESA-N 0 0 304.397 0.024 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)c1nccn2ccnc12 ZINC000623145979 416757534 /nfs/dbraw/zinc/75/75/34/416757534.db2.gz PBSQHFHSJUPCOY-ZYHUDNBSSA-N 0 0 312.333 0.723 10 0 DCAERN CCC(CC)[C@@H](C(=O)N1CC(n2ccnn2)C1)N1CCOCC1 ZINC000369383097 416764245 /nfs/dbraw/zinc/76/42/45/416764245.db2.gz HUSIFJUDCFIZPF-HNNXBMFYSA-N 0 0 321.425 0.798 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000369381080 416764640 /nfs/dbraw/zinc/76/46/40/416764640.db2.gz ZGKUSULGGVMNQT-SNVBAGLBSA-N 0 0 313.350 0.290 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(c3ncccc3F)CC2)cn1 ZINC000558577248 416776591 /nfs/dbraw/zinc/77/65/91/416776591.db2.gz ILNOMECDYUURRZ-UHFFFAOYSA-N 0 0 319.340 0.682 10 0 DCAERN COc1cc(CC(=O)N2CC(n3ccnn3)C2)cc(OC)c1O ZINC000369490504 416783197 /nfs/dbraw/zinc/78/31/97/416783197.db2.gz OHUGTZMJSHRVPA-UHFFFAOYSA-N 0 0 318.333 0.627 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623269748 416786836 /nfs/dbraw/zinc/78/68/36/416786836.db2.gz RNIXDNHZGRMKRL-AWEZNQCLSA-N 0 0 301.346 0.294 10 0 DCAERN Cc1ccc2c(c1)CN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000558811228 416796366 /nfs/dbraw/zinc/79/63/66/416796366.db2.gz RWFISCZSCRHLBV-OAHLLOKOSA-N 0 0 322.430 0.956 10 0 DCAERN O=C1CCCN1C[C@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369698143 416817561 /nfs/dbraw/zinc/81/75/61/416817561.db2.gz UMESAKPKUOJXHX-CYBMUJFWSA-N 0 0 320.393 0.303 10 0 DCAERN O=C(CC1(O)CCCCC1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000369991928 416864912 /nfs/dbraw/zinc/86/49/12/416864912.db2.gz XSWLNOCPAMWZLD-AWEZNQCLSA-N 0 0 324.421 0.968 10 0 DCAERN CNC(=O)Cc1noc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)n1 ZINC000615633664 416876022 /nfs/dbraw/zinc/87/60/22/416876022.db2.gz PXRMRZAPWLOYDY-BHDSKKPTSA-N 0 0 322.365 0.132 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000564333407 416889526 /nfs/dbraw/zinc/88/95/26/416889526.db2.gz MMAKVQNBIGXEEL-GFCCVEGCSA-N 0 0 311.349 0.708 10 0 DCAERN CCNS(=O)(=O)N[C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444274683 416827510 /nfs/dbraw/zinc/82/75/10/416827510.db2.gz DGBWDLLDQMZQSQ-CABZTGNLSA-N 0 0 308.400 0.177 10 0 DCAERN CC(=O)c1cccc(OCCCC(=O)N2CC(O)(CO)C2)c1 ZINC000615428329 416828739 /nfs/dbraw/zinc/82/87/39/416828739.db2.gz VCAXILKRWWAMSZ-UHFFFAOYSA-N 0 0 307.346 0.614 10 0 DCAERN O=C1[C@H](NS(=O)(=O)c2ccco2)CCN1C1CCOCC1 ZINC000445731128 416900237 /nfs/dbraw/zinc/90/02/37/416900237.db2.gz GUUPYFYSEILQEV-LLVKDONJSA-N 0 0 314.363 0.338 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@H]3CCCN3C2=O)c1 ZINC000445943837 416907790 /nfs/dbraw/zinc/90/77/90/416907790.db2.gz YOICJCXRCIRYAA-LLVKDONJSA-N 0 0 309.347 0.526 10 0 DCAERN CN1C[C@@H](Nc2cc(Br)cnc2C(N)=O)CC1=O ZINC000519512081 416908931 /nfs/dbraw/zinc/90/89/31/416908931.db2.gz RTFVQGKFSUMFDF-ZETCQYMHSA-N 0 0 313.155 0.586 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC000615818274 416915727 /nfs/dbraw/zinc/91/57/27/416915727.db2.gz FEYUJQOFZBKRFY-WDMOLILDSA-N 0 0 318.377 0.956 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000615819078 416916870 /nfs/dbraw/zinc/91/68/70/416916870.db2.gz ZTEHSYQEVHNCOS-MQYQWHSLSA-N 0 0 321.377 0.124 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000632189682 416950244 /nfs/dbraw/zinc/95/02/44/416950244.db2.gz CQYWEVVIYZFMRE-AWEZNQCLSA-N 0 0 319.361 0.358 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)[C@@H](C)N2CCN(C)CC2)C[C@H]1C ZINC000374465044 416983698 /nfs/dbraw/zinc/98/36/98/416983698.db2.gz BCBDZMNVMHWSRI-XJKCOSOUSA-N 0 0 311.426 0.280 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000447382255 416993106 /nfs/dbraw/zinc/99/31/06/416993106.db2.gz OTYYUTDJRKPVRF-IONNQARKSA-N 0 0 321.303 0.847 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000376634210 417034507 /nfs/dbraw/zinc/03/45/07/417034507.db2.gz KCBABJAYMQVRDN-SNVBAGLBSA-N 0 0 317.345 0.297 10 0 DCAERN c1cnn(-c2cncc(N3CCN(c4nccnn4)CC3)n2)c1 ZINC000624443635 417039665 /nfs/dbraw/zinc/03/96/65/417039665.db2.gz MFYMFLGTFQITKC-UHFFFAOYSA-N 0 0 309.337 0.174 10 0 DCAERN Nc1ccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)cn1 ZINC000616583509 417081407 /nfs/dbraw/zinc/08/14/07/417081407.db2.gz JEWFNKBWYQRRTL-NSHDSACASA-N 0 0 305.363 0.841 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000448484567 417081822 /nfs/dbraw/zinc/08/18/22/417081822.db2.gz FHFSNZLWDJHHDR-UTUOFQBUSA-N 0 0 306.366 0.630 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616593872 417083045 /nfs/dbraw/zinc/08/30/45/417083045.db2.gz MMFAXAHJIGFIHG-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN COC(=O)[C@H]1CCN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616594909 417083288 /nfs/dbraw/zinc/08/32/88/417083288.db2.gz IUTSGUWUXXIVBA-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1S(C)(=O)=O ZINC000616598697 417083844 /nfs/dbraw/zinc/08/38/44/417083844.db2.gz UDQIMPPZVXSUCG-LLVKDONJSA-N 0 0 322.427 0.604 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000616600513 417084140 /nfs/dbraw/zinc/08/41/40/417084140.db2.gz BVFSZMGNAZOYID-LLVKDONJSA-N 0 0 318.420 0.518 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1COCCN1S(N)(=O)=O ZINC000616600170 417085582 /nfs/dbraw/zinc/08/55/82/417085582.db2.gz AAFPLOAMZGMIJO-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(C)c2C)n1 ZINC000523496858 417085722 /nfs/dbraw/zinc/08/57/22/417085722.db2.gz VKLCFQULJQPACO-UHFFFAOYSA-N 0 0 303.318 0.868 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCc3cc[nH]n3)CC2)n1 ZINC000523481744 417085862 /nfs/dbraw/zinc/08/58/62/417085862.db2.gz KZGAFVHJRWPXQQ-UHFFFAOYSA-N 0 0 305.342 0.129 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616647047 417086445 /nfs/dbraw/zinc/08/64/45/417086445.db2.gz IRXIZIGUFVVZFF-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1ccn([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 ZINC000616644333 417086547 /nfs/dbraw/zinc/08/65/47/417086547.db2.gz WNHUZMGHCMJDLR-ZDUSSCGKSA-N 0 0 308.363 0.685 10 0 DCAERN CCOC(=O)c1ccc([C@H]2COCCN2S(N)(=O)=O)cc1 ZINC000616640970 417087894 /nfs/dbraw/zinc/08/78/94/417087894.db2.gz FDVKYQFCMLXESZ-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1COCCCN1S(C)(=O)=O ZINC000616648394 417088222 /nfs/dbraw/zinc/08/82/22/417088222.db2.gz LLIIETIGYHNHIV-SNVBAGLBSA-N 0 0 308.400 0.562 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616663581 417089222 /nfs/dbraw/zinc/08/92/22/417089222.db2.gz ROUQHONZCXMYRT-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616658656 417089869 /nfs/dbraw/zinc/08/98/69/417089869.db2.gz IUUZJCMQHKIMAK-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CCOC(=O)c1cccc([C@H]2CN(S(N)(=O)=O)CCN2)c1 ZINC000616655043 417091015 /nfs/dbraw/zinc/09/10/15/417091015.db2.gz SLFRBQQMHONJOP-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616666703 417094438 /nfs/dbraw/zinc/09/44/38/417094438.db2.gz RVBINDPOTJRRCD-LBPRGKRZSA-N 0 0 308.363 0.597 10 0 DCAERN CC1(C)COCCN1CCNC(=O)c1cn2cccnc2n1 ZINC000524511343 417110159 /nfs/dbraw/zinc/11/01/59/417110159.db2.gz ISSDVPFJGALNGJ-UHFFFAOYSA-N 0 0 303.366 0.570 10 0 DCAERN CC(C)n1ncnc1CN[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400192675 417110648 /nfs/dbraw/zinc/11/06/48/417110648.db2.gz VUTIJDHCMGUVCO-LLVKDONJSA-N 0 0 301.416 0.373 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000399198490 417110961 /nfs/dbraw/zinc/11/09/61/417110961.db2.gz MNOXDMZHWRIVGM-WOPDTQHZSA-N 0 0 304.412 0.172 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000404134070 417118005 /nfs/dbraw/zinc/11/80/05/417118005.db2.gz FHJJGQAAJQLCPI-CQSZACIVSA-N 0 0 313.375 0.709 10 0 DCAERN O=C(c1nscc1Br)N1CCNC(=O)CC1 ZINC000404821451 417120167 /nfs/dbraw/zinc/12/01/67/417120167.db2.gz MWIOLSNXOWZOCC-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)NC[C@@](C)(O)CO)ccc21 ZINC000431576513 417135124 /nfs/dbraw/zinc/13/51/24/417135124.db2.gz GQMBHZGLLPNJSG-OAHLLOKOSA-N 0 0 307.350 0.460 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408074809 417141114 /nfs/dbraw/zinc/14/11/14/417141114.db2.gz WOWFCRBGFNIMLO-JQWIXIFHSA-N 0 0 308.300 0.913 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2c(C)nnn2CC)CC12COC2 ZINC000449356945 417143230 /nfs/dbraw/zinc/14/32/30/417143230.db2.gz CYMZWZVHRCGORJ-GFCCVEGCSA-N 0 0 308.382 0.618 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@@](C)(F)C1 ZINC000408053638 417135707 /nfs/dbraw/zinc/13/57/07/417135707.db2.gz IHYNCYVISJNNGA-CQSZACIVSA-N 0 0 306.345 0.826 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)[C@@H]1C ZINC000408047324 417135930 /nfs/dbraw/zinc/13/59/30/417135930.db2.gz PNXLEUZXDNSVLD-HVNMYJMUSA-N 0 0 311.426 0.502 10 0 DCAERN CCc1csc(NC(=O)C(=O)N(C)Cc2noc(C)n2)n1 ZINC000435026780 287357753 /nfs/dbraw/zinc/35/77/53/287357753.db2.gz CDPLSXYTJQYJLH-UHFFFAOYSA-N 0 0 309.351 0.994 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cnc(N(C)C)nc2)CC12COC2 ZINC000449359063 417143526 /nfs/dbraw/zinc/14/35/26/417143526.db2.gz GCDAVYXXWBWPNJ-CYBMUJFWSA-N 0 0 320.393 0.554 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000408121549 417144401 /nfs/dbraw/zinc/14/44/01/417144401.db2.gz DNKFMHIKPYUZGH-NSHDSACASA-N 0 0 306.428 0.435 10 0 DCAERN CO[C@]1(C)C[C@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1(C)C ZINC000408185932 417146078 /nfs/dbraw/zinc/14/60/78/417146078.db2.gz OAZBQSAUPOLQPS-GXFFZTMASA-N 0 0 306.428 0.540 10 0 DCAERN c1c(CN2CCN(c3nccnn3)CC2)nnn1-c1ccccc1 ZINC000625636441 417150094 /nfs/dbraw/zinc/15/00/94/417150094.db2.gz HRRNVGKCAZEWGQ-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN CN(C)c1nc(N)nc(C(=O)NC[C@@H]2COc3ccccc32)n1 ZINC000568762392 417172958 /nfs/dbraw/zinc/17/29/58/417172958.db2.gz JBFXZLVWPMYJSA-SECBINFHSA-N 0 0 314.349 0.426 10 0 DCAERN CC(=O)N1CC(C(=O)NCc2cnc(C(F)(F)F)nc2)C1 ZINC000617222483 417179071 /nfs/dbraw/zinc/17/90/71/417179071.db2.gz NDHDAQBEAXMTJR-UHFFFAOYSA-N 0 0 302.256 0.590 10 0 DCAERN COC(=O)C[C@H]1CSCCN1C(=O)Cc1cn(C)nc1C ZINC000449968662 417190276 /nfs/dbraw/zinc/19/02/76/417190276.db2.gz BWUNPRWLGOLROY-LBPRGKRZSA-N 0 0 311.407 0.778 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000617267530 417191583 /nfs/dbraw/zinc/19/15/83/417191583.db2.gz PQTQEHZBDNMZRB-UONOGXRCSA-N 0 0 305.382 0.385 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629421 417203331 /nfs/dbraw/zinc/20/33/31/417203331.db2.gz SZZLWTUJASFQEL-LLVKDONJSA-N 0 0 302.371 0.777 10 0 DCAERN CO[C@@H](C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000620721364 417267168 /nfs/dbraw/zinc/26/71/68/417267168.db2.gz BXOVKNKJSXQIGV-GOEBONIOSA-N 0 0 305.422 0.954 10 0 DCAERN C[C@](O)(CO)CNc1ccc(I)cn1 ZINC000450493453 417232659 /nfs/dbraw/zinc/23/26/59/417232659.db2.gz COMFJDGKCUGUEY-SECBINFHSA-N 0 0 308.119 0.841 10 0 DCAERN COCCn1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000527385196 417241881 /nfs/dbraw/zinc/24/18/81/417241881.db2.gz NNXBFBGQVXTMKC-SNVBAGLBSA-N 0 0 320.315 0.896 10 0 DCAERN Cc1cccc2c1O[C@@H](C(=O)N1CCN3CCOC[C@H]3C1)C2 ZINC000450588821 417244355 /nfs/dbraw/zinc/24/43/55/417244355.db2.gz WPZFXOOQVDSHGV-HUUCEWRRSA-N 0 0 302.374 0.842 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N2CCC[C@H](C)C2)CC12COC2 ZINC000451125878 417303624 /nfs/dbraw/zinc/30/36/24/417303624.db2.gz ORDPJFVFXHAXTJ-UONOGXRCSA-N 0 0 324.421 0.756 10 0 DCAERN CNC(=O)C[C@@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000643721056 417322091 /nfs/dbraw/zinc/32/20/91/417322091.db2.gz RHEFSJZKKFCELD-HNNXBMFYSA-N 0 0 316.365 0.130 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000451449574 417348176 /nfs/dbraw/zinc/34/81/76/417348176.db2.gz HLAOHXJITDDAIY-WDEREUQCSA-N 0 0 305.396 0.959 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792917 417394230 /nfs/dbraw/zinc/39/42/30/417394230.db2.gz WDZBXDQVLXNBHO-SCRDCRAPSA-N 0 0 320.393 0.955 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1Cc1cn(CC2CC2)nn1 ZINC000643829999 417397719 /nfs/dbraw/zinc/39/77/19/417397719.db2.gz UZFAAXKVKBFVOV-HNNXBMFYSA-N 0 0 307.398 0.415 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC000633297559 417403285 /nfs/dbraw/zinc/40/32/85/417403285.db2.gz UQNQJODAJJKBJD-YPMHNXCESA-N 0 0 319.365 0.208 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCNc2ccn(C)n2)cc1 ZINC000570970630 417409032 /nfs/dbraw/zinc/40/90/32/417409032.db2.gz YAUGVGLTDTXBIY-UHFFFAOYSA-N 0 0 315.377 1.245 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCc2cnccc2C)cn1C ZINC000451883600 417410784 /nfs/dbraw/zinc/41/07/84/417410784.db2.gz USTFLPYSZZICSP-UHFFFAOYSA-N 0 0 322.390 0.567 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000633360578 417415140 /nfs/dbraw/zinc/41/51/40/417415140.db2.gz UWCQMDUXFUOLFF-YNEHKIRRSA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(N3CCCCC3)ncn2)C1 ZINC000622259969 417421775 /nfs/dbraw/zinc/42/17/75/417421775.db2.gz XEWQNOCSIYCLJQ-CYBMUJFWSA-N 0 0 317.393 0.818 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000529276091 417431460 /nfs/dbraw/zinc/43/14/60/417431460.db2.gz PMLSUZYDUKGRID-BXUZGUMPSA-N 0 0 313.361 0.723 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000571480496 417447289 /nfs/dbraw/zinc/44/72/89/417447289.db2.gz MRCYIZDNXULOMC-UHFFFAOYSA-N 0 0 323.401 0.864 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)CC12COC2 ZINC000452224793 417459570 /nfs/dbraw/zinc/45/95/70/417459570.db2.gz PSMVREOZXSMLAC-QNWHQSFQSA-N 0 0 311.378 0.838 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnc(C)cn2)CC12COC2 ZINC000452231770 417460679 /nfs/dbraw/zinc/46/06/79/417460679.db2.gz UZDWKANHIQFRBY-LLVKDONJSA-N 0 0 305.334 0.437 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CC12COC2 ZINC000452232441 417460845 /nfs/dbraw/zinc/46/08/45/417460845.db2.gz WNHMFDDMXNTKRY-LLVKDONJSA-N 0 0 319.361 0.939 10 0 DCAERN CCOC(=O)COCCNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000452693586 417497534 /nfs/dbraw/zinc/49/75/34/417497534.db2.gz AVSLVDGVFWRSNK-GFCCVEGCSA-N 0 0 322.361 0.501 10 0 DCAERN CC[C@H](C)[C@H](CNC(=O)[C@](C)(O)Cn1ccccc1=O)OC ZINC000452429414 417484785 /nfs/dbraw/zinc/48/47/85/417484785.db2.gz WLZMIZAZZDGRTH-HEHGZKQESA-N 0 0 310.394 0.777 10 0 DCAERN CCN1C[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2F)CC1=O ZINC000453924586 417537435 /nfs/dbraw/zinc/53/74/35/417537435.db2.gz IISBJQIKKLLPSS-SECBINFHSA-N 0 0 323.324 0.510 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)s1 ZINC000453925550 417538130 /nfs/dbraw/zinc/53/81/30/417538130.db2.gz WQXHKNCDIQZEOI-SSDOTTSWSA-N 0 0 310.379 0.299 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000633867358 417501585 /nfs/dbraw/zinc/50/15/85/417501585.db2.gz LWHMCHLSRFMWJU-SYQHCUMBSA-N 0 0 322.405 0.924 10 0 DCAERN CC(=O)c1ccc(NC(=O)C2(n3cnnn3)CCOCC2)nc1 ZINC000622834510 417508697 /nfs/dbraw/zinc/50/86/97/417508697.db2.gz OTPRQGBBLONGFD-UHFFFAOYSA-N 0 0 316.321 0.415 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000530467658 417578733 /nfs/dbraw/zinc/57/87/33/417578733.db2.gz JOHPCVLFZFNWLC-QJPTWQEYSA-N 0 0 319.423 0.652 10 0 DCAERN CNC(=O)C[C@H](C)NC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000455467775 417605768 /nfs/dbraw/zinc/60/57/68/417605768.db2.gz QJLKAHDQATUMPO-AAEUAGOBSA-N 0 0 318.377 0.616 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCC[C@@H]2CCOC2)C1 ZINC000454679236 417574825 /nfs/dbraw/zinc/57/48/25/417574825.db2.gz NYZNZPKGDCGYSO-OLZOCXBDSA-N 0 0 312.414 0.906 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000530460674 417575748 /nfs/dbraw/zinc/57/57/48/417575748.db2.gz FQHZTBHLEUJCDV-TUAOUCFPSA-N 0 0 319.427 0.277 10 0 DCAERN O=C(c1cnc2ccccn12)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000576662714 417627920 /nfs/dbraw/zinc/62/79/20/417627920.db2.gz VNKPPKNPBSATBP-HNNXBMFYSA-N 0 0 313.317 0.149 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN(CCO)C[C@H]2C)c1 ZINC000457141920 417693430 /nfs/dbraw/zinc/69/34/30/417693430.db2.gz YKRPLSQQSGIQSX-CYBMUJFWSA-N 0 0 320.389 0.793 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000531863735 417643459 /nfs/dbraw/zinc/64/34/59/417643459.db2.gz UCEBJIBRMYPCSX-STQMWFEESA-N 0 0 324.425 0.411 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2O)c1 ZINC000635373489 417646343 /nfs/dbraw/zinc/64/63/43/417646343.db2.gz BWBWLZJQCLKYTP-KBPBESRZSA-N 0 0 319.361 0.637 10 0 DCAERN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000531868761 417646596 /nfs/dbraw/zinc/64/65/96/417646596.db2.gz DRNLGBVVUPOTJB-LBPRGKRZSA-N 0 0 320.455 0.979 10 0 DCAERN CO[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)N1C)C1CC1 ZINC000628575008 417655282 /nfs/dbraw/zinc/65/52/82/417655282.db2.gz FKKXRZYGWUUVBV-CJNGLKHVSA-N 0 0 312.410 0.143 10 0 DCAERN Cn1cc([C@@H](NC(=O)NCc2nnn(C)n2)C(F)(F)F)cn1 ZINC000577009307 417656970 /nfs/dbraw/zinc/65/69/70/417656970.db2.gz IWYHIQPPLMCPRJ-MRVPVSSYSA-N 0 0 318.263 0.046 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)(C)C ZINC000443200959 287414429 /nfs/dbraw/zinc/41/44/29/287414429.db2.gz UPUSZMSFISVUBT-NXEZZACHSA-N 0 0 322.427 0.408 10 0 DCAERN CCNC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000457291197 417703120 /nfs/dbraw/zinc/70/31/20/417703120.db2.gz KCSKSBVIYBNXKF-NSHDSACASA-N 0 0 305.378 0.836 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)CC(C)(C)C)n1 ZINC000443205924 287414676 /nfs/dbraw/zinc/41/46/76/287414676.db2.gz FBWVHGCDXRNNNB-NXEZZACHSA-N 0 0 303.384 0.862 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@@H]2COCCC2=O)n1 ZINC000628869164 417707258 /nfs/dbraw/zinc/70/72/58/417707258.db2.gz GGVVSHXAUAQWDP-SSDOTTSWSA-N 0 0 301.755 0.940 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000629141427 417747444 /nfs/dbraw/zinc/74/74/44/417747444.db2.gz VANAPFOWVHKKQM-NXEZZACHSA-N 0 0 316.404 0.693 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1 ZINC000631693865 417921750 /nfs/dbraw/zinc/92/17/50/417921750.db2.gz XFBOKRPXCYWQKJ-NSHDSACASA-N 0 0 310.366 0.916 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000189879108 335084027 /nfs/dbraw/zinc/08/40/27/335084027.db2.gz ZLRXGCLBODXUGC-OAHLLOKOSA-N 0 0 306.366 0.518 10 0 DCAERN CSc1nc2nc(C)c(CC(=O)N3CC(CO)C3)c(C)n2n1 ZINC000182103459 545904074 /nfs/dbraw/zinc/90/40/74/545904074.db2.gz CBGHALQEDKALOL-UHFFFAOYSA-N 0 0 321.406 0.456 10 0 DCAERN O=C(NCCc1ccccc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458066195 287498050 /nfs/dbraw/zinc/49/80/50/287498050.db2.gz WJABFOQSXWOBSE-LBPRGKRZSA-N 0 0 323.784 0.834 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000487133689 287532820 /nfs/dbraw/zinc/53/28/20/287532820.db2.gz FUMGMVMTUFXDFU-NOOOWODRSA-N 0 0 314.382 0.374 10 0 DCAERN CCNC(=O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489526258 287554993 /nfs/dbraw/zinc/55/49/93/287554993.db2.gz DTNKTWVNYDEHFT-UHFFFAOYSA-N 0 0 304.354 0.097 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(Cc3c(C)noc3C)CC[C@@H]21 ZINC000299744132 229381959 /nfs/dbraw/zinc/38/19/59/229381959.db2.gz NQJWWKKRQALHNO-KGLIPLIRSA-N 0 0 308.382 0.906 10 0 DCAERN C[C@H](N1CCN(c2cncc(C(N)=O)n2)CC1)C(F)(F)F ZINC000301594074 229764319 /nfs/dbraw/zinc/76/43/19/229764319.db2.gz YJSOWVNYLLUTJC-QMMMGPOBSA-N 0 0 303.288 0.648 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CN(C)CCO2)CC[S@]1=O ZINC000183850670 261117568 /nfs/dbraw/zinc/11/75/68/261117568.db2.gz ABYIHVILFWIBNC-MPBGBICISA-N 0 0 302.440 0.467 10 0 DCAERN CCS(=O)(=O)CC(=O)Nc1nc2c(cccc2OC)n1C ZINC000184442047 261118521 /nfs/dbraw/zinc/11/85/21/261118521.db2.gz NMPJXWJKHOZFSP-UHFFFAOYSA-N 0 0 311.363 0.955 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186170857 261120919 /nfs/dbraw/zinc/12/09/19/261120919.db2.gz GJTBMADXIBORDR-GFCCVEGCSA-N 0 0 307.398 0.452 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NCc3cc(C(N)=O)co3)nc2n1 ZINC000186668969 261121445 /nfs/dbraw/zinc/12/14/45/261121445.db2.gz FYJDZZRANYBWJM-UHFFFAOYSA-N 0 0 314.305 0.363 10 0 DCAERN COc1cccc(OC)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187260723 261122718 /nfs/dbraw/zinc/12/27/18/261122718.db2.gz AKPHBRZKTZBQCB-GFCCVEGCSA-N 0 0 308.378 0.842 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(N3CCCC3)nn2)c1 ZINC000187893683 261124990 /nfs/dbraw/zinc/12/49/90/261124990.db2.gz SZLGKBYWQJYHOI-UHFFFAOYSA-N 0 0 315.333 0.699 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)NCc2cc(C(N)=O)co2)s1 ZINC000188251312 261125666 /nfs/dbraw/zinc/12/56/66/261125666.db2.gz CNYCIKVTIULLPR-UHFFFAOYSA-N 0 0 315.376 0.930 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000188732194 261130502 /nfs/dbraw/zinc/13/05/02/261130502.db2.gz MEAZQBVJOXWIJP-GXFFZTMASA-N 0 0 310.398 0.371 10 0 DCAERN CNC(=O)c1cccc(CN2CCCN(CCOC)C(=O)C2)c1 ZINC000190799931 261135296 /nfs/dbraw/zinc/13/52/96/261135296.db2.gz MQCSYKVUYJFYSQ-UHFFFAOYSA-N 0 0 319.405 0.727 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000227245736 261152853 /nfs/dbraw/zinc/15/28/53/261152853.db2.gz TYQUEQQFXXXXDA-AEJSXWLSSA-N 0 0 308.300 0.817 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC1(C)CCOCC1 ZINC000234564855 261155200 /nfs/dbraw/zinc/15/52/00/261155200.db2.gz JSVGCFLFFMACLR-MNOVXSKESA-N 0 0 305.396 0.817 10 0 DCAERN C/C=C\C[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000354218287 261191782 /nfs/dbraw/zinc/19/17/82/261191782.db2.gz TZTRVVUMKMFGML-QUCGXOGASA-N 0 0 317.345 0.545 10 0 DCAERN CCNC(=O)[C@H](NC(=O)[C@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000354229933 261193743 /nfs/dbraw/zinc/19/37/43/261193743.db2.gz GTIADXYSAHAPGG-IACUBPJLSA-N 0 0 322.409 0.775 10 0 DCAERN CC(=O)N[C@H](C(=O)NC[C@@]1(CCO)CCOC1)C1CCCC1 ZINC000356014904 261382644 /nfs/dbraw/zinc/38/26/44/261382644.db2.gz CPBNZWFUZXUSOW-GOEBONIOSA-N 0 0 312.410 0.587 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000356031703 261384620 /nfs/dbraw/zinc/38/46/20/261384620.db2.gz CQACIJKMJAPOBC-IMJJTQAJSA-N 0 0 318.373 0.568 10 0 DCAERN COCCOC[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357880786 261596303 /nfs/dbraw/zinc/59/63/03/261596303.db2.gz QPESYDKTYDJVON-NWDGAFQWSA-N 0 0 301.387 0.300 10 0 DCAERN CC(=O)NCC[C@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358189723 261644975 /nfs/dbraw/zinc/64/49/75/261644975.db2.gz VITSVLISEUVULC-CYBMUJFWSA-N 0 0 307.398 0.900 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H](CO)C2CC2)C1=O ZINC000358298111 261656550 /nfs/dbraw/zinc/65/65/50/261656550.db2.gz DNZWOQMQXSSKLZ-AAEUAGOBSA-N 0 0 318.373 0.935 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)NC[C@H](CO)C1CC1 ZINC000358341978 261659201 /nfs/dbraw/zinc/65/92/01/261659201.db2.gz RTFGSDXKGCWHMM-GFCCVEGCSA-N 0 0 301.346 0.531 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NCCC(C)(C)O)n1 ZINC000358450858 261670184 /nfs/dbraw/zinc/67/01/84/261670184.db2.gz HLAHFHFREXJCTP-UHFFFAOYSA-N 0 0 309.366 0.026 10 0 DCAERN Cc1ccc2ncc(C(=O)NC[C@@H](CO)C3CC3)c(=O)n2c1 ZINC000359775787 261767121 /nfs/dbraw/zinc/76/71/21/261767121.db2.gz SZUZDFHSPOIEAP-LBPRGKRZSA-N 0 0 301.346 0.751 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000360574875 261846727 /nfs/dbraw/zinc/84/67/27/261846727.db2.gz RIYXFIXUYBGSRE-NWDGAFQWSA-N 0 0 310.398 0.307 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360715957 261865640 /nfs/dbraw/zinc/86/56/40/261865640.db2.gz UVBPIVQYHBFTEP-GFCCVEGCSA-N 0 0 301.350 0.983 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000361952964 261983170 /nfs/dbraw/zinc/98/31/70/261983170.db2.gz VCJVUNOZXYPNAD-SECBINFHSA-N 0 0 309.370 0.075 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000362126122 262002006 /nfs/dbraw/zinc/00/20/06/262002006.db2.gz QSFHVBFEUIGXMF-WDEREUQCSA-N 0 0 308.382 0.711 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000362235712 262013361 /nfs/dbraw/zinc/01/33/61/262013361.db2.gz ILNJSMOWTKEGRB-BMIGLBTASA-N 0 0 309.366 0.344 10 0 DCAERN CC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C)cc1)C(N)=O ZINC000362260302 262016393 /nfs/dbraw/zinc/01/63/93/262016393.db2.gz HEWWAYYPYFOEOH-LBPRGKRZSA-N 0 0 312.391 0.539 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)Cc2cnn(C)c2)no1 ZINC000362312787 262021495 /nfs/dbraw/zinc/02/14/95/262021495.db2.gz AJGYLYVTQOADEE-UHFFFAOYSA-N 0 0 306.322 0.789 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000362397198 262029166 /nfs/dbraw/zinc/02/91/66/262029166.db2.gz RBNLEVITXAJUPV-WDEREUQCSA-N 0 0 309.366 0.535 10 0 DCAERN CNC(=O)CCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362475488 262039692 /nfs/dbraw/zinc/03/96/92/262039692.db2.gz AMVRZJLMCVKTEC-NSHDSACASA-N 0 0 307.350 0.652 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)c2cccn2C)c1 ZINC000362510558 262042610 /nfs/dbraw/zinc/04/26/10/262042610.db2.gz LNBSWXRRZUYWSI-UHFFFAOYSA-N 0 0 321.358 0.755 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 ZINC000362515194 262043539 /nfs/dbraw/zinc/04/35/39/262043539.db2.gz DYHJKHKKIPZYJL-LLVKDONJSA-N 0 0 303.362 0.972 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](OC)C(C)C)c1 ZINC000362651760 262055929 /nfs/dbraw/zinc/05/59/29/262055929.db2.gz IWBXDXQLKNCTMH-ZDUSSCGKSA-N 0 0 314.407 0.996 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCn3cncc3C2)C[C@@H]1C ZINC000363546027 262120145 /nfs/dbraw/zinc/12/01/45/262120145.db2.gz NHOXEOIJJLDZEV-IHRRRGAJSA-N 0 0 306.410 0.359 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCN2CCOC[C@@H]2C1 ZINC000363831818 262133101 /nfs/dbraw/zinc/13/31/01/262133101.db2.gz ZWAUMVIXPDVVOH-AWEZNQCLSA-N 0 0 315.373 0.267 10 0 DCAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000363863841 262135128 /nfs/dbraw/zinc/13/51/28/262135128.db2.gz CAGQHLYVABEXBD-HUUCEWRRSA-N 0 0 308.353 0.792 10 0 DCAERN C[C@@H]1CC[C@@H](CN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)O1 ZINC000367523793 262142281 /nfs/dbraw/zinc/14/22/81/262142281.db2.gz PIECTBIRNAULSK-XBFCOCLRSA-N 0 0 313.423 0.759 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000367861336 262142879 /nfs/dbraw/zinc/14/28/79/262142879.db2.gz ACLVSAJWBNGNFO-MFKMUULPSA-N 0 0 304.387 0.621 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000392978471 262161509 /nfs/dbraw/zinc/16/15/09/262161509.db2.gz YVVIGPHRMAXTIK-HTRCEHHLSA-N 0 0 306.775 0.019 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)N[C@H]1CCCCNC1=O ZINC000045540259 270938487 /nfs/dbraw/zinc/93/84/87/270938487.db2.gz MPKICEORBRJPQI-ZDUSSCGKSA-N 0 0 318.377 0.384 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCC(C)(C)O)c1 ZINC000357275191 271047673 /nfs/dbraw/zinc/04/76/73/271047673.db2.gz QYOQZRIHBVYEQU-UHFFFAOYSA-N 0 0 300.380 0.486 10 0 DCAERN COc1ccc(Cl)cc1CS(=O)(=O)N1CC(=O)N(C)C1 ZINC000359191431 271103536 /nfs/dbraw/zinc/10/35/36/271103536.db2.gz GZACZAVVJFSOQV-UHFFFAOYSA-N 0 0 318.782 0.910 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000359562509 271125897 /nfs/dbraw/zinc/12/58/97/271125897.db2.gz KWTHQPJPHFTQMB-NSHDSACASA-N 0 0 300.380 0.557 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1F)NC[C@@H](CO)C1CC1 ZINC000359771393 271142739 /nfs/dbraw/zinc/14/27/39/271142739.db2.gz DGOZUPJZHYBKJM-JTQLQIEISA-N 0 0 312.316 0.829 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CC(n3cc(C)cn3)C2)CC1=O ZINC000363473015 271194172 /nfs/dbraw/zinc/19/41/72/271194172.db2.gz XIYNVTNFXDIDPN-LBPRGKRZSA-N 0 0 306.366 0.070 10 0 DCAERN CNC(=O)c1cc(O[C@H]2CCN(C(=O)C3(O)CCC3)C2)ccn1 ZINC000363697509 271200280 /nfs/dbraw/zinc/20/02/80/271200280.db2.gz FHOHXYYTFGBXRP-LBPRGKRZSA-N 0 0 319.361 0.336 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000363700985 271201063 /nfs/dbraw/zinc/20/10/63/271201063.db2.gz RWUGEPYJQJYQFX-FDYHWXHSSA-N 0 0 315.439 0.562 10 0 DCAERN O=C(c1ccnn1CC(F)F)N1CCN2CCOC[C@H]2C1 ZINC000363765331 271203713 /nfs/dbraw/zinc/20/37/13/271203713.db2.gz KOALLWFNXSLYRP-SNVBAGLBSA-N 0 0 300.309 0.305 10 0 DCAERN CC(C)[C@@](C)(CO)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000398556152 271218527 /nfs/dbraw/zinc/21/85/27/271218527.db2.gz PLTOXPZCKBXIKM-CYBMUJFWSA-N 0 0 306.428 0.181 10 0 DCAERN C[C@@H](CNC(=O)c1ccoc1Br)S(N)(=O)=O ZINC000398447204 271219068 /nfs/dbraw/zinc/21/90/68/271219068.db2.gz BUBSPEZMCILGQV-YFKPBYRVSA-N 0 0 311.157 0.449 10 0 DCAERN C[C@@H](CO)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434944928 271550291 /nfs/dbraw/zinc/55/02/91/271550291.db2.gz ZSXXRHQWEZLSJM-RKDXNWHRSA-N 0 0 311.407 0.951 10 0 DCAERN COC(=O)c1cc(F)cc(S(=O)(=O)N(C)CCCO)c1 ZINC000443099695 271699971 /nfs/dbraw/zinc/69/99/71/271699971.db2.gz FRCPQJAMWNMKHN-UHFFFAOYSA-N 0 0 305.327 0.615 10 0 DCAERN Cn1cnc2cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)ccc21 ZINC000443141380 271701177 /nfs/dbraw/zinc/70/11/77/271701177.db2.gz FMEDNLXMHCJQDT-JTQLQIEISA-N 0 0 323.296 0.775 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC12COC2 ZINC000452227361 271911639 /nfs/dbraw/zinc/91/16/39/271911639.db2.gz LGMOWFYENIJXFR-CYBMUJFWSA-N 0 0 321.377 0.538 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)CC12COC2 ZINC000452227535 271911700 /nfs/dbraw/zinc/91/17/00/271911700.db2.gz LZOGLWKVTJHIFU-LBPRGKRZSA-N 0 0 321.377 0.689 10 0 DCAERN CC(C)(C(=O)NC[C@@H](O)Cn1ccnn1)c1cccc(F)c1 ZINC000458138687 271943811 /nfs/dbraw/zinc/94/38/11/271943811.db2.gz MHGPFNBTZOLBCD-CYBMUJFWSA-N 0 0 306.341 0.872 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)CC(C)(C)CO)C1 ZINC000458537053 271962577 /nfs/dbraw/zinc/96/25/77/271962577.db2.gz CYJUKLBIZVOQBN-LLVKDONJSA-N 0 0 300.403 0.450 10 0 DCAERN CC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459808662 272011174 /nfs/dbraw/zinc/01/11/74/272011174.db2.gz HQYXNVGQGVFRPK-GUYCJALGSA-N 0 0 321.421 0.906 10 0 DCAERN CCCN(CC1CC1)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459831963 272014550 /nfs/dbraw/zinc/01/45/50/272014550.db2.gz JSXSUJPFPJJHDQ-QGZVFWFLSA-N 0 0 321.421 0.764 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC000487117874 272038246 /nfs/dbraw/zinc/03/82/46/272038246.db2.gz TVJLONBXECSSEJ-ZJUUUORDSA-N 0 0 324.381 0.169 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](CNC(N)=O)C2)[nH]n1 ZINC000487547256 272041681 /nfs/dbraw/zinc/04/16/81/272041681.db2.gz FUQNYSFGJHOXHX-CMPLNLGQSA-N 0 0 322.413 0.739 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212449 272058557 /nfs/dbraw/zinc/05/85/57/272058557.db2.gz YYKZYBBGQJDRBF-GDBMZVCRSA-N 0 0 321.421 0.782 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000489945889 272066878 /nfs/dbraw/zinc/06/68/78/272066878.db2.gz KRRFMBRVWTVYDY-UHFFFAOYSA-N 0 0 304.354 0.427 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000490070121 272069351 /nfs/dbraw/zinc/06/93/51/272069351.db2.gz WJFUTBGFAGGQNA-SNVBAGLBSA-N 0 0 315.333 0.624 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cccnc2)CC1 ZINC000490813033 272082137 /nfs/dbraw/zinc/08/21/37/272082137.db2.gz RCNXECYFLIAVPS-UHFFFAOYSA-N 0 0 320.393 0.860 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCC(C)C ZINC000492046519 272114012 /nfs/dbraw/zinc/11/40/12/272114012.db2.gz NFPHXRZETIGCLP-WDEREUQCSA-N 0 0 301.387 0.788 10 0 DCAERN Cc1c(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cnn1C ZINC000492292333 272120916 /nfs/dbraw/zinc/12/09/16/272120916.db2.gz JGPBPNODJOCTPY-UHFFFAOYSA-N 0 0 302.338 0.767 10 0 DCAERN COc1ccc(/C=C\C(=O)NC[C@H]2CN(C)CCO2)cc1O ZINC000492521920 272133085 /nfs/dbraw/zinc/13/30/85/272133085.db2.gz NPCSLWSZUQJEOL-AGLBCWCQSA-N 0 0 306.362 0.861 10 0 DCAERN CN(CCO)C(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000505639123 272392679 /nfs/dbraw/zinc/39/26/79/272392679.db2.gz PUDJZISRWMFYDW-UHFFFAOYSA-N 0 0 304.346 0.904 10 0 DCAERN CCOCCCNC(=O)[C@H](C)[S@@](=O)Cc1cnc(C)nc1 ZINC000505726440 272393365 /nfs/dbraw/zinc/39/33/65/272393365.db2.gz LGSZKFZDXVAQMZ-MQJDWESPSA-N 0 0 313.423 0.965 10 0 DCAERN COC(=O)C1(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000516614708 272440386 /nfs/dbraw/zinc/44/03/86/272440386.db2.gz QFFQOVBONBWOQH-UWVGGRQHSA-N 0 0 309.322 0.620 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@@H]3CCSC3)CC2)n1 ZINC000526923433 272594525 /nfs/dbraw/zinc/59/45/25/272594525.db2.gz QSERXNNQJHIOAS-LLVKDONJSA-N 0 0 311.411 0.711 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000528638261 272654223 /nfs/dbraw/zinc/65/42/23/272654223.db2.gz ZJJXTGNKCKUHOA-FZQKWOKYSA-N 0 0 319.361 0.137 10 0 DCAERN c1cn2nnnc2c(N2CCCC[C@H]2CN2CCOCC2)n1 ZINC000531383907 287776293 /nfs/dbraw/zinc/77/62/93/287776293.db2.gz BSVJOXCNGLDACH-LBPRGKRZSA-N 0 0 303.370 0.210 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCC1Cc2ccccc2C1 ZINC000531550681 287780976 /nfs/dbraw/zinc/78/09/76/287780976.db2.gz IKWUAESZSAIOMX-UHFFFAOYSA-N 0 0 300.366 0.767 10 0 DCAERN O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)NCCOc1ccc(Cl)cc1 ZINC000534032115 287804110 /nfs/dbraw/zinc/80/41/10/287804110.db2.gz ZVZCWHBJUHEUDG-TXEJJXNPSA-N 0 0 322.748 0.840 10 0 DCAERN Cc1cc(CN2CCN(C(=O)NCc3ccn(C)n3)CC2)on1 ZINC000535744944 287840879 /nfs/dbraw/zinc/84/08/79/287840879.db2.gz UGEFHFHXCABFMF-UHFFFAOYSA-N 0 0 318.381 0.744 10 0 DCAERN CC[C@H](C(=O)N1CCOCC1)n1cnc2onc(C)c2c1=O ZINC000021088809 276607795 /nfs/dbraw/zinc/60/77/95/276607795.db2.gz IVNDTZZMVBPCCW-SNVBAGLBSA-N 0 0 306.322 0.503 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c[nH]1 ZINC000408075540 277149727 /nfs/dbraw/zinc/14/97/27/277149727.db2.gz YOXXZDUAZJOQDD-OLZOCXBDSA-N 0 0 307.350 0.346 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCc3ncnn3C2)CC1=O ZINC000177537117 277157344 /nfs/dbraw/zinc/15/73/44/277157344.db2.gz MXWRYRZZBPALCN-MNOVXSKESA-N 0 0 320.397 0.292 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000407960134 277159658 /nfs/dbraw/zinc/15/96/58/277159658.db2.gz VDLAVYGKMMUXEC-LLVKDONJSA-N 0 0 307.394 0.467 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCCS(N)(=O)=O ZINC000087456748 277280572 /nfs/dbraw/zinc/28/05/72/277280572.db2.gz PDABYFWCEFCAOX-UHFFFAOYSA-N 0 0 306.413 0.244 10 0 DCAERN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)N1CCC[C@@H]1C ZINC000545318916 287996042 /nfs/dbraw/zinc/99/60/42/287996042.db2.gz JLGSPIVXXAIGFB-WDEREUQCSA-N 0 0 322.452 0.696 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408382760 277951216 /nfs/dbraw/zinc/95/12/16/277951216.db2.gz FCNIXWZNUJZUHP-SECBINFHSA-N 0 0 321.786 0.442 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000328695463 278007585 /nfs/dbraw/zinc/00/75/85/278007585.db2.gz GKKRBCWNWJJAJG-KFWWJZLASA-N 0 0 322.405 0.984 10 0 DCAERN CCOC(=O)CCCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000545909730 288005905 /nfs/dbraw/zinc/00/59/05/288005905.db2.gz UEGOMQVHZJNACN-SNVBAGLBSA-N 0 0 306.384 0.158 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@H]2c2cccn2C)C1 ZINC000408055286 278050948 /nfs/dbraw/zinc/05/09/48/278050948.db2.gz SIBPZTCCSSLRFC-UKRRQHHQSA-N 0 0 305.378 0.793 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000408152203 278061190 /nfs/dbraw/zinc/06/11/90/278061190.db2.gz XOVSGVSUVZOLMY-ATZCPNFKSA-N 0 0 322.452 0.188 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000371503450 278063097 /nfs/dbraw/zinc/06/30/97/278063097.db2.gz KRTVELPYMKFWFB-QWHCGFSZSA-N 0 0 319.386 0.351 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000408088798 278128083 /nfs/dbraw/zinc/12/80/83/278128083.db2.gz KRHQKFQWIMOBBU-GXFFZTMASA-N 0 0 308.382 0.461 10 0 DCAERN C[C@H](CC(=O)N1CCN(C[C@H](C)O)CC1)N1CCCCC1=O ZINC000328744391 278162735 /nfs/dbraw/zinc/16/27/35/278162735.db2.gz KMVVRWOZWQMIAI-KGLIPLIRSA-N 0 0 311.426 0.303 10 0 DCAERN C[C@@H](C(=O)N1CCN(Cc2ccon2)CC1)N1CCSCC1 ZINC000133536977 278192972 /nfs/dbraw/zinc/19/29/72/278192972.db2.gz WGBIZQJZVPZSQS-ZDUSSCGKSA-N 0 0 324.450 0.756 10 0 DCAERN CC(=O)OC[C@@H]1O[C@H](F)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255993673 278219489 /nfs/dbraw/zinc/21/94/89/278219489.db2.gz OZIWIFNLCSFOGJ-KQSJRHEJSA-N 0 0 310.249 0.445 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000184900870 278346879 /nfs/dbraw/zinc/34/68/79/278346879.db2.gz XAZOXPNGFWVNMQ-NSHDSACASA-N 0 0 322.394 0.481 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCn2ccnc2C1 ZINC000408391294 278535484 /nfs/dbraw/zinc/53/54/84/278535484.db2.gz CQBCTOFRSZTCHB-LLVKDONJSA-N 0 0 314.411 0.189 10 0 DCAERN Cc1noc(CCCC(=O)N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000547735348 288073894 /nfs/dbraw/zinc/07/38/94/288073894.db2.gz CRPQISFJEKBBEH-LBPRGKRZSA-N 0 0 307.350 0.907 10 0 DCAERN COc1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)nn1C ZINC000547792957 288080068 /nfs/dbraw/zinc/08/00/68/288080068.db2.gz FTHHHOSYJHOOPB-ZDUSSCGKSA-N 0 0 322.409 0.756 10 0 DCAERN CCC[C@H]1C[C@@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000180667555 278960809 /nfs/dbraw/zinc/96/08/09/278960809.db2.gz PZXUHKRBKRYGSM-QWRGUYRKSA-N 0 0 309.366 0.618 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408457727 279012683 /nfs/dbraw/zinc/01/26/83/279012683.db2.gz CGVBOOJRPZIMOQ-JHJVBQTASA-N 0 0 318.439 0.730 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000547979877 288097952 /nfs/dbraw/zinc/09/79/52/288097952.db2.gz DUHOSYPVFKYFLE-WCQYABFASA-N 0 0 314.345 0.940 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)c2ncn(C)n2)C1 ZINC000548036686 288103959 /nfs/dbraw/zinc/10/39/59/288103959.db2.gz RIBLJGFXKIQPKT-QWRGUYRKSA-N 0 0 308.386 0.576 10 0 DCAERN CC(C)C[C@H](C)N(C)C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155374116 279100360 /nfs/dbraw/zinc/10/03/60/279100360.db2.gz GPCTXVTWEWNJAC-QWHCGFSZSA-N 0 0 304.456 0.998 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@@](=O)CC[C@@H]1C ZINC000408212870 279111946 /nfs/dbraw/zinc/11/19/46/279111946.db2.gz AFSTWGGBNGZLAS-SGTLLEGYSA-N 0 0 310.485 0.501 10 0 DCAERN COCC1=CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000548064426 288108305 /nfs/dbraw/zinc/10/83/05/288108305.db2.gz DCTOEDOYXSJGNG-MRXNPFEDSA-N 0 0 306.362 0.404 10 0 DCAERN CC(C)[C@@H]1N(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@]12CCCO2 ZINC000333784166 280046323 /nfs/dbraw/zinc/04/63/23/280046323.db2.gz WBVLDJNJDCDHAL-YCPHGPKFSA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CN(C)CCO2)C[C@@]12CCCO2 ZINC000333784163 280047150 /nfs/dbraw/zinc/04/71/50/280047150.db2.gz WBVLDJNJDCDHAL-DZKIICNBSA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C[C@]12CCCO2 ZINC000333418507 280047820 /nfs/dbraw/zinc/04/78/20/280047820.db2.gz RFXMLJQVQQXEOG-PVXIVEMSSA-N 0 0 323.393 0.733 10 0 DCAERN COc1nccc(NC(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)n1 ZINC000549242298 288195254 /nfs/dbraw/zinc/19/52/54/288195254.db2.gz CXKNMIDQGMAAAM-VIFPVBQESA-N 0 0 304.310 0.548 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000372623484 280147202 /nfs/dbraw/zinc/14/72/02/280147202.db2.gz ANZYWIMMRMJWBV-CZUORRHYSA-N 0 0 318.373 0.760 10 0 DCAERN CC(C)[C@H](C(=O)N1CCN(C)C[C@H]1C)N1CCCS1(=O)=O ZINC000408078897 280150459 /nfs/dbraw/zinc/15/04/59/280150459.db2.gz FXCQUVTTZIHXRT-CHWSQXEVSA-N 0 0 317.455 0.209 10 0 DCAERN CC(C)[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCC1=O ZINC000122018512 280154734 /nfs/dbraw/zinc/15/47/34/280154734.db2.gz GHDDMPRRQCZTRO-WCQYABFASA-N 0 0 316.423 0.279 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCC1=O ZINC000172746704 280156843 /nfs/dbraw/zinc/15/68/43/280156843.db2.gz OCRKZTQQSRIFHS-GDBMZVCRSA-N 0 0 323.437 0.567 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCC1=O ZINC000172746697 280159747 /nfs/dbraw/zinc/15/97/47/280159747.db2.gz OCRKZTQQSRIFHS-GOEBONIOSA-N 0 0 323.437 0.567 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)C[C@@H](C)O1 ZINC000329280845 288232479 /nfs/dbraw/zinc/23/24/79/288232479.db2.gz DUOAHCVLCOXORT-IJLUTSLNSA-N 0 0 314.411 0.901 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCn3ccnc3C2)C[C@@H](C)O1 ZINC000329672292 288235280 /nfs/dbraw/zinc/23/52/80/288235280.db2.gz NMPFCSOSAABJKW-GHMZBOCLSA-N 0 0 300.384 0.053 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCn3ccnc3C2)C[C@H](C)O1 ZINC000329672293 288235295 /nfs/dbraw/zinc/23/52/95/288235295.db2.gz NMPFCSOSAABJKW-PHIMTYICSA-N 0 0 300.384 0.053 10 0 DCAERN O=C(NCCn1cncn1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551875628 288239594 /nfs/dbraw/zinc/23/95/94/288239594.db2.gz BGZSQYXIZXFIRX-NSHDSACASA-N 0 0 317.353 0.738 10 0 DCAERN O=C(NC[C@@H]1CCC[C@H](O)C1)C(=O)Nc1ccc2nccn2c1 ZINC000552743951 288280008 /nfs/dbraw/zinc/28/00/08/288280008.db2.gz NPYDPSZLGBKGNJ-YPMHNXCESA-N 0 0 316.361 0.940 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000552779491 288280518 /nfs/dbraw/zinc/28/05/18/288280518.db2.gz DZNCHVJAKNAEQB-GHMZBOCLSA-N 0 0 302.334 0.957 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000076417527 281032598 /nfs/dbraw/zinc/03/25/98/281032598.db2.gz ZWNHXAAHIPSOAO-JTQLQIEISA-N 0 0 308.407 0.781 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375376053 281222610 /nfs/dbraw/zinc/22/26/10/281222610.db2.gz AXKAECGPGMVCCA-LBPRGKRZSA-N 0 0 314.382 0.839 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000333749955 281278160 /nfs/dbraw/zinc/27/81/60/281278160.db2.gz XMHKDKCEJDZKHQ-SECBINFHSA-N 0 0 310.366 0.962 10 0 DCAERN CC(C)n1cc([C@H](C)NC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000553880936 288309535 /nfs/dbraw/zinc/30/95/35/288309535.db2.gz QGYDCRZDTUPFDL-NSHDSACASA-N 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CDGUFNVBGPDBEW-TZMCWYRMSA-N 0 0 320.393 0.668 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)s1 ZINC000556667413 288382240 /nfs/dbraw/zinc/38/22/40/288382240.db2.gz CQCYVIYPGZHBMS-GXSJLCMTSA-N 0 0 311.407 0.687 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000556731757 288388796 /nfs/dbraw/zinc/38/87/96/288388796.db2.gz WUJIQOSQUBKPSD-NEPJUHHUSA-N 0 0 306.366 0.594 10 0 DCAERN O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1ccc2nccn2c1 ZINC000557377587 288418504 /nfs/dbraw/zinc/41/85/04/288418504.db2.gz NACXXNAUIXOPMH-AWEZNQCLSA-N 0 0 320.374 0.257 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cnn(CC)c1 ZINC000560104028 288485463 /nfs/dbraw/zinc/48/54/63/288485463.db2.gz YVGZLXCKHIVOSF-MNOVXSKESA-N 0 0 324.381 0.018 10 0 DCAERN CN(C)C[C@@H]1CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018300 289191254 /nfs/dbraw/zinc/19/12/54/289191254.db2.gz QJOMRUMTKKGVHM-RYUDHWBXSA-N 0 0 303.428 0.251 10 0 DCAERN CN(C)C[C@H]1CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018302 289210386 /nfs/dbraw/zinc/21/03/86/289210386.db2.gz QJOMRUMTKKGVHM-VXGBXAGGSA-N 0 0 303.428 0.251 10 0 DCAERN CN1CCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1=O ZINC000174387210 290017081 /nfs/dbraw/zinc/01/70/81/290017081.db2.gz KZPVNUVUXGUWLV-STQMWFEESA-N 0 0 305.382 0.850 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043304 290073735 /nfs/dbraw/zinc/07/37/35/290073735.db2.gz QFOSOWPAOBGUEV-HUUCEWRRSA-N 0 0 311.426 0.030 10 0 DCAERN CN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCCC2)CCC1=O ZINC000408197430 290268734 /nfs/dbraw/zinc/26/87/34/290268734.db2.gz ITRNKPJAUGUYKW-JTQLQIEISA-N 0 0 302.396 0.081 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000246170597 293048467 /nfs/dbraw/zinc/04/84/67/293048467.db2.gz MPGKNPDKXQMOSL-KBPBESRZSA-N 0 0 320.455 0.538 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000456584073 293569536 /nfs/dbraw/zinc/56/95/36/293569536.db2.gz UXQBDVWFMJNZRL-PJODQICGSA-N 0 0 308.378 0.529 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)[C@H](C)CO1 ZINC000408091980 297049500 /nfs/dbraw/zinc/04/95/00/297049500.db2.gz WKIJYHWLZDMKKT-LOWDOPEQSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)[C@H](C)CO1 ZINC000156269146 297058730 /nfs/dbraw/zinc/05/87/30/297058730.db2.gz UBWDEFNJJWELCX-IJLUTSLNSA-N 0 0 306.428 0.888 10 0 DCAERN CO[C@@]1(C)C[C@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1(C)C ZINC000408185930 294155926 /nfs/dbraw/zinc/15/59/26/294155926.db2.gz OAZBQSAUPOLQPS-GWCFXTLKSA-N 0 0 306.428 0.540 10 0 DCAERN Cn1c([C@@H]2NC(=O)[C@H]3CCCCN32)nc2c1c(=O)[nH]c(=O)n2C ZINC000329575563 294173173 /nfs/dbraw/zinc/17/31/73/294173173.db2.gz BCAYCVSTSUPMHB-RDDDGLTNSA-N 0 0 318.337 0.196 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@]2(OC)CCOC2)C1 ZINC000330011852 294674751 /nfs/dbraw/zinc/67/47/51/294674751.db2.gz JOVHYZDBOQXAMI-WDMOLILDSA-N 0 0 311.338 0.472 10 0 DCAERN NC(=O)CCN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O ZINC000153046696 295039880 /nfs/dbraw/zinc/03/98/80/295039880.db2.gz CDBLAGRRRJDMMC-CQSZACIVSA-N 0 0 307.737 0.909 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000408077235 297200104 /nfs/dbraw/zinc/20/01/04/297200104.db2.gz VEYITEXOQOQSRS-USZNOCQGSA-N 0 0 304.412 0.470 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408202627 297200945 /nfs/dbraw/zinc/20/09/45/297200945.db2.gz JGUGNPHYTDVURS-KBVBSXBZSA-N 0 0 308.300 0.817 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)[C@H]1CCCOC1 ZINC000329054965 297266513 /nfs/dbraw/zinc/26/65/13/297266513.db2.gz HXAHPFQZZJLBLA-MCIONIFRSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000408070104 297335748 /nfs/dbraw/zinc/33/57/48/297335748.db2.gz FJCPOWOIXWWFSJ-NEPJUHHUSA-N 0 0 319.471 0.961 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332755701 297772385 /nfs/dbraw/zinc/77/23/85/297772385.db2.gz NGEXGXBBRMYZFI-RSLMWUCJSA-N 0 0 316.423 0.771 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000408208944 297787840 /nfs/dbraw/zinc/78/78/40/297787840.db2.gz YJQYIPCKNZWOIH-CFZCINTLSA-N 0 0 301.412 0.158 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000329552048 297807876 /nfs/dbraw/zinc/80/78/76/297807876.db2.gz GAVGQTSXBAVOLP-FVCCEPFGSA-N 0 0 311.382 0.391 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000408151474 298037495 /nfs/dbraw/zinc/03/74/95/298037495.db2.gz QOBNUTZAWPOXGT-ZWNOBZJWSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000248988816 298232438 /nfs/dbraw/zinc/23/24/38/298232438.db2.gz KQDHDRDHARPJDP-BDAKNGLRSA-N 0 0 303.302 0.758 10 0 DCAERN C[C@H](CC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)N1CCCCC1=O ZINC000328869264 298296308 /nfs/dbraw/zinc/29/63/08/298296308.db2.gz HNYCXUIJIIMOQU-QLFBSQMISA-N 0 0 323.437 0.709 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCNC[C@@H]2c2nccn2C)n1 ZINC000261716920 301251151 /nfs/dbraw/zinc/25/11/51/301251151.db2.gz LBFMCQDCKLWRKX-ZIAGYGMSSA-N 0 0 316.409 0.968 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@@H](C)NC3=S)C2=O)n(C)n1 ZINC000174448036 301337053 /nfs/dbraw/zinc/33/70/53/301337053.db2.gz XJXPUVQECMOSLV-ZJUUUORDSA-N 0 0 321.406 0.329 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1C ZINC000271033761 302733174 /nfs/dbraw/zinc/73/31/74/302733174.db2.gz PRKKLERLMCSCQZ-GFCCVEGCSA-N 0 0 319.283 0.536 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000163909056 302983504 /nfs/dbraw/zinc/98/35/04/302983504.db2.gz DHDRIZSITKZOCA-CYBMUJFWSA-N 0 0 304.350 0.533 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCN1C ZINC000275386677 303006978 /nfs/dbraw/zinc/00/69/78/303006978.db2.gz AJGHAOFMYMQMNZ-ZIAGYGMSSA-N 0 0 321.425 0.987 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCCC(=O)N1CCCCC1 ZINC000172517407 303626337 /nfs/dbraw/zinc/62/63/37/303626337.db2.gz OJMDYPDNMPQWSU-UHFFFAOYSA-N 0 0 318.377 0.330 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580306907 333087038 /nfs/dbraw/zinc/08/70/38/333087038.db2.gz WUUFRLNQOQAOSD-QMMMGPOBSA-N 0 0 300.340 0.058 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000332937558 334889438 /nfs/dbraw/zinc/88/94/38/334889438.db2.gz HGVAMEYSVVIHBJ-CABZTGNLSA-N 0 0 304.437 0.282 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@@H]1C ZINC000582539829 337106687 /nfs/dbraw/zinc/10/66/87/337106687.db2.gz FIYXXMAUYHCASU-GHMZBOCLSA-N 0 0 302.334 0.909 10 0 DCAERN CCc1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC000582798704 337173683 /nfs/dbraw/zinc/17/36/83/337173683.db2.gz DIRKPROJSLBQBN-KBPBESRZSA-N 0 0 321.425 0.398 10 0 DCAERN O=C(NC1(CO)CC1)c1nc2ncc(Br)cn2n1 ZINC000584366489 337196307 /nfs/dbraw/zinc/19/63/07/337196307.db2.gz XUJMZFAWNREAAP-UHFFFAOYSA-N 0 0 312.127 0.142 10 0 DCAERN COCC(=O)Nc1cccc(CNC(=O)N(C)CCCO)c1 ZINC000582943553 337220500 /nfs/dbraw/zinc/22/05/00/337220500.db2.gz PSDNSHBMUZCFRG-UHFFFAOYSA-N 0 0 309.366 0.795 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000583059553 337234180 /nfs/dbraw/zinc/23/41/80/337234180.db2.gz QQPNXQKUXPAAIQ-ZFWWWQNUSA-N 0 0 318.373 0.819 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)ccc1C ZINC000583881124 337375912 /nfs/dbraw/zinc/37/59/12/337375912.db2.gz SGNUOBWYGMHEAX-UHFFFAOYSA-N 0 0 317.345 0.470 10 0 DCAERN [NH3+]C1CCN(CC(=O)Nc2cccc(S(=O)(=O)[O-])c2)CC1 ZINC000584647325 337380333 /nfs/dbraw/zinc/38/03/33/337380333.db2.gz XCPNFSDCPOKOED-UHFFFAOYSA-N 0 0 313.379 0.295 10 0 DCAERN CCN1CN(C(=O)Nc2ccn(Cc3ccncc3)n2)CC1=O ZINC000192269200 341797322 /nfs/dbraw/zinc/79/73/22/341797322.db2.gz IBXXFBXPMYTVIG-UHFFFAOYSA-N 0 0 314.349 0.980 10 0 DCAERN CCn1ccnc1CNC(=O)[C@H]1COCCN1CC(F)F ZINC000576171631 341831182 /nfs/dbraw/zinc/83/11/82/341831182.db2.gz RZJAARHWYLCTTI-SNVBAGLBSA-N 0 0 302.325 0.485 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H](O)C3CCOCC3)[C@@H]2C1 ZINC000576769997 341862570 /nfs/dbraw/zinc/86/25/70/341862570.db2.gz URHFQJQGLXYQIK-FZKCQIBNSA-N 0 0 324.421 0.537 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000576875939 341867584 /nfs/dbraw/zinc/86/75/84/341867584.db2.gz GXVGEDGUMSBCOT-ZIAGYGMSSA-N 0 0 317.393 0.890 10 0 DCAERN CS[C@@H](C)CC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328634107 533888985 /nfs/dbraw/zinc/88/89/85/533888985.db2.gz MMUZOHSBGXOAMP-WDEREUQCSA-N 0 0 303.428 0.822 10 0 DCAERN NC(=O)Cn1cc(-c2nc(COc3cccc(F)c3)no2)nn1 ZINC000188144705 534370380 /nfs/dbraw/zinc/37/03/80/534370380.db2.gz HGCHGCPQAWTANJ-UHFFFAOYSA-N 0 0 318.268 0.532 10 0 DCAERN CC(=O)CSCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000195361252 519428382 /nfs/dbraw/zinc/42/83/82/519428382.db2.gz BBPMRWLUZWHQRY-GFCCVEGCSA-N 0 0 308.407 0.884 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000188588378 519487548 /nfs/dbraw/zinc/48/75/48/519487548.db2.gz SICLOBRQINYBFH-KGLIPLIRSA-N 0 0 322.361 0.409 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000158988789 519634701 /nfs/dbraw/zinc/63/47/01/519634701.db2.gz YXEUDJLAPBUZQJ-HOCLYGCPSA-N 0 0 320.414 0.858 10 0 DCAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 ZINC000189840704 519648179 /nfs/dbraw/zinc/64/81/79/519648179.db2.gz JJGKGCUHNYFIJN-GFCCVEGCSA-N 0 0 316.405 0.968 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)C1 ZINC000190469407 519649090 /nfs/dbraw/zinc/64/90/90/519649090.db2.gz QGBFPMPZAYEMBD-UHFFFAOYSA-N 0 0 316.361 0.426 10 0 DCAERN CC(C)CCNC(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067751 519659113 /nfs/dbraw/zinc/65/91/13/519659113.db2.gz KPRFRQJIEYVZMM-VXGBXAGGSA-N 0 0 305.444 0.161 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)CC1=O ZINC000267553798 519696178 /nfs/dbraw/zinc/69/61/78/519696178.db2.gz DTIJRBQJLVIJBV-OLZOCXBDSA-N 0 0 320.397 0.634 10 0 DCAERN CC(C)Nc1ncccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128060588 519742372 /nfs/dbraw/zinc/74/23/72/519742372.db2.gz ZLTTUWAPEYSALG-ZDUSSCGKSA-N 0 0 322.409 0.325 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000157102598 519875975 /nfs/dbraw/zinc/87/59/75/519875975.db2.gz NTBLTFBKNYGRJE-NSHDSACASA-N 0 0 308.382 0.502 10 0 DCAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@H](C)CS(C)(=O)=O ZINC000246772439 519980213 /nfs/dbraw/zinc/98/02/13/519980213.db2.gz OTZXDJBQLRHIKI-CHWSQXEVSA-N 0 0 319.471 0.935 10 0 DCAERN CC(C)n1nnnc1CN1CCCN(c2cccnn2)CC1 ZINC000105800441 520142719 /nfs/dbraw/zinc/14/27/19/520142719.db2.gz KQJGSEIXGCPULL-UHFFFAOYSA-N 0 0 302.386 0.756 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000186217554 520159988 /nfs/dbraw/zinc/15/99/88/520159988.db2.gz LRJTWQQGFBNXTR-UHFFFAOYSA-N 0 0 307.398 0.783 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000191566413 520206345 /nfs/dbraw/zinc/20/63/45/520206345.db2.gz RDVASDXBBYSXMP-JTQLQIEISA-N 0 0 304.350 0.313 10 0 DCAERN CC1(C)CN(C(=O)c2cncc(Cl)n2)CCS1(=O)=O ZINC000189499098 520460223 /nfs/dbraw/zinc/46/02/23/520460223.db2.gz JZMRJXYUZBZEIJ-UHFFFAOYSA-N 0 0 303.771 0.779 10 0 DCAERN CCOC(=O)CCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817422 520639141 /nfs/dbraw/zinc/63/91/41/520639141.db2.gz MWWPSOSUEDOBPN-UHFFFAOYSA-N 0 0 318.381 0.590 10 0 DCAERN CCCCOC[C@H](O)CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000193383648 520807852 /nfs/dbraw/zinc/80/78/52/520807852.db2.gz CDFIRJPIRNRFHH-CQSZACIVSA-N 0 0 310.398 0.246 10 0 DCAERN O=C(CN1CCC(F)(c2ccccn2)CC1)N1CCNC1=O ZINC000294885262 534521040 /nfs/dbraw/zinc/52/10/40/534521040.db2.gz AMBADDOWGDEJEV-UHFFFAOYSA-N 0 0 306.341 0.894 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000189857179 521305440 /nfs/dbraw/zinc/30/54/40/521305440.db2.gz GXNLLLIKGGGXHR-BDJLRTHQSA-N 0 0 321.377 0.915 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC000366392062 521740486 /nfs/dbraw/zinc/74/04/86/521740486.db2.gz PVGHNBHRZZNMDH-YPMHNXCESA-N 0 0 310.398 0.468 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000166771590 521747925 /nfs/dbraw/zinc/74/79/25/521747925.db2.gz DAFFKOSUOMYUAB-LLVKDONJSA-N 0 0 311.288 0.640 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000265788834 521752174 /nfs/dbraw/zinc/75/21/74/521752174.db2.gz LCTGWYXMUKXZIU-GFCCVEGCSA-N 0 0 303.366 0.427 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@H](C)CO)c1CC ZINC000158906849 522128221 /nfs/dbraw/zinc/12/82/21/522128221.db2.gz ALDWLHLPEUWWEJ-NXEZZACHSA-N 0 0 310.398 0.711 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000267930355 522508320 /nfs/dbraw/zinc/50/83/20/522508320.db2.gz DNPDNDWMCWOPSM-ZJUUUORDSA-N 0 0 306.370 0.205 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCC(=O)N(CC)CC)CC2 ZINC000154991817 522528104 /nfs/dbraw/zinc/52/81/04/522528104.db2.gz AIPOYVGIHRJCBP-GFCCVEGCSA-N 0 0 321.425 0.920 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000131313279 522553194 /nfs/dbraw/zinc/55/31/94/522553194.db2.gz GUKPIRMLBAGGIF-AWEZNQCLSA-N 0 0 322.405 0.989 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 ZINC000130762647 522589979 /nfs/dbraw/zinc/58/99/79/522589979.db2.gz WJVNIHXZTQQACW-CYBMUJFWSA-N 0 0 322.409 0.714 10 0 DCAERN CC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000158007279 522978135 /nfs/dbraw/zinc/97/81/35/522978135.db2.gz ZUOGUNDWQUWCSX-GFCCVEGCSA-N 0 0 318.333 0.952 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)C[C@@]2(CCOC2)O1 ZINC000368609337 523410284 /nfs/dbraw/zinc/41/02/84/523410284.db2.gz XNKBTXGISCSUDB-BRXULGCHSA-N 0 0 311.378 0.982 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CN3CCCCC3=O)CCO2)cn1 ZINC000191730455 523480315 /nfs/dbraw/zinc/48/03/15/523480315.db2.gz GVNCGXHWFHYTIM-CQSZACIVSA-N 0 0 320.393 0.815 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC)C3)CCO2)cn1 ZINC000191730319 523480438 /nfs/dbraw/zinc/48/04/38/523480438.db2.gz KXIPLEILXBHNNQ-TZMCWYRMSA-N 0 0 320.393 0.671 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCNC(=O)[C@@H]2C)cn1 ZINC000365515340 523485161 /nfs/dbraw/zinc/48/51/61/523485161.db2.gz JRMUORCMJQISGM-FPMFFAJLSA-N 0 0 320.393 0.718 10 0 DCAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc21 ZINC000189924279 523699152 /nfs/dbraw/zinc/69/91/52/523699152.db2.gz KVFYZVCKPFWLBE-ZDUSSCGKSA-N 0 0 316.361 0.978 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000365041526 523709237 /nfs/dbraw/zinc/70/92/37/523709237.db2.gz RNUHUOMAMAIEGZ-YNEHKIRRSA-N 0 0 313.398 0.158 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@H](CO)Oc2ccccc21 ZINC000364239887 523743351 /nfs/dbraw/zinc/74/33/51/523743351.db2.gz CEVCYSSYFUOGFV-LLVKDONJSA-N 0 0 323.374 0.852 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](OC)C2)n(C)n1 ZINC000191290974 523800050 /nfs/dbraw/zinc/80/00/50/523800050.db2.gz MEIDIPXIFOMSEV-CMPLNLGQSA-N 0 0 308.382 0.804 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](OC)C2)n(C)n1 ZINC000191291020 523800183 /nfs/dbraw/zinc/80/01/83/523800183.db2.gz MEIDIPXIFOMSEV-PWSUYJOCSA-N 0 0 308.382 0.804 10 0 DCAERN COC(=O)[C@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921932 523880051 /nfs/dbraw/zinc/88/00/51/523880051.db2.gz NHZZBPHGGWCACG-GJZGRUSLSA-N 0 0 322.405 0.605 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000193286976 534741440 /nfs/dbraw/zinc/74/14/40/534741440.db2.gz DHXQSDGILPKDLM-UHFFFAOYSA-N 0 0 307.741 0.995 10 0 DCAERN CN(C(=O)[C@H]1CSCN1C(=O)CCc1ccnn1C)C1CC1 ZINC000123875594 523912097 /nfs/dbraw/zinc/91/20/97/523912097.db2.gz DFQAPZFYIPHQTI-CYBMUJFWSA-N 0 0 322.434 0.875 10 0 DCAERN CN1C[C@@H](NC(=O)N(CCO)Cc2ccccc2)CCC1=O ZINC000162862084 524009780 /nfs/dbraw/zinc/00/97/80/524009780.db2.gz YZROSHUSHSLISI-AWEZNQCLSA-N 0 0 305.378 0.811 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2nncs2)C1 ZINC000189329236 524021247 /nfs/dbraw/zinc/02/12/47/524021247.db2.gz DSKSDWSXIJLKFC-DTWKUNHWSA-N 0 0 324.366 0.630 10 0 DCAERN CN1C[C@H](NC(=O)N2CCc3ccccc3[C@@H]2CO)CCC1=O ZINC000130699946 524023287 /nfs/dbraw/zinc/02/32/87/524023287.db2.gz LSHHDKZMPXCFIJ-HIFRSBDPSA-N 0 0 317.389 0.909 10 0 DCAERN COc1cccc2c1nc(NC(=O)C1CN(C(C)=O)C1)n2C ZINC000191245543 524253819 /nfs/dbraw/zinc/25/38/19/524253819.db2.gz GJVHXWNBQKBWQD-UHFFFAOYSA-N 0 0 302.334 0.999 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000367748485 524316216 /nfs/dbraw/zinc/31/62/16/524316216.db2.gz IAPQGMXJSLZJHE-LBPRGKRZSA-N 0 0 316.361 0.819 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCc1ccnn1C ZINC000153510735 524349329 /nfs/dbraw/zinc/34/93/29/524349329.db2.gz DHRZSCHAGFFBQC-UHFFFAOYSA-N 0 0 302.334 0.475 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000188045471 524468170 /nfs/dbraw/zinc/46/81/70/524468170.db2.gz GJTNGNPOYDNPQI-CVEARBPZSA-N 0 0 321.421 0.528 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000158314056 524499976 /nfs/dbraw/zinc/49/99/76/524499976.db2.gz OIEQSUMZSJVQND-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000156937189 524567524 /nfs/dbraw/zinc/56/75/24/524567524.db2.gz WKEHNHPDATYYNC-LLVKDONJSA-N 0 0 302.338 0.077 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COCc2cccs2)CCS1(=O)=O ZINC000247422827 524604985 /nfs/dbraw/zinc/60/49/85/524604985.db2.gz VBLVMUGWMOBIHH-NWDGAFQWSA-N 0 0 319.448 0.745 10 0 DCAERN COc1ccnc(N2CCN(C(=O)c3cccc(F)n3)CC2)n1 ZINC000162421252 524841051 /nfs/dbraw/zinc/84/10/51/524841051.db2.gz URMUUDNOKHKGFV-UHFFFAOYSA-N 0 0 317.324 0.982 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H](C)CO ZINC000246984933 525236167 /nfs/dbraw/zinc/23/61/67/525236167.db2.gz HGMZIBBTNSOACV-HLTSFMKQSA-N 0 0 311.304 0.466 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000130797423 525328902 /nfs/dbraw/zinc/32/89/02/525328902.db2.gz AWLBGUKJICDWAV-LBPRGKRZSA-N 0 0 316.361 0.612 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)Nc1cncc(Br)c1 ZINC000155926389 525586517 /nfs/dbraw/zinc/58/65/17/525586517.db2.gz IOSVXSQOVLROES-ZCFIWIBFSA-N 0 0 322.184 0.720 10 0 DCAERN COc1ccc2c(c1)nc(CNC(=O)N1CC(CO)C1)n2C ZINC000190045733 525606853 /nfs/dbraw/zinc/60/68/53/525606853.db2.gz VOIQAHLDFQYAFY-UHFFFAOYSA-N 0 0 304.350 0.716 10 0 DCAERN Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2CC[C@H](C(N)=O)O2)o1 ZINC000365287102 525841357 /nfs/dbraw/zinc/84/13/57/525841357.db2.gz FBWQOYYNMZLVBY-CYZMBNFOSA-N 0 0 308.334 0.521 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC(n2cncn2)CC1 ZINC000157759014 526037275 /nfs/dbraw/zinc/03/72/75/526037275.db2.gz CAJOKLUNSDBONW-SECBINFHSA-N 0 0 305.304 0.982 10 0 DCAERN C[C@H](C(=O)NCc1cccs1)N1CCN(CCO)[C@H](C)C1 ZINC000249585315 526089921 /nfs/dbraw/zinc/08/99/21/526089921.db2.gz STSJHOXRCSMEID-CHWSQXEVSA-N 0 0 311.451 0.751 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ncnn1C ZINC000191080415 526097690 /nfs/dbraw/zinc/09/76/90/526097690.db2.gz SRGCKQSWKVJNGY-WDEREUQCSA-N 0 0 322.390 0.855 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214154 526160764 /nfs/dbraw/zinc/16/07/64/526160764.db2.gz XTHNWSNYEFZDHB-NWDGAFQWSA-N 0 0 307.398 0.137 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccnn3C)C2)c1 ZINC000154562587 526266831 /nfs/dbraw/zinc/26/68/31/526266831.db2.gz ADKMTNNIQGEOAW-LBPRGKRZSA-N 0 0 316.365 0.727 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182887459 526295718 /nfs/dbraw/zinc/29/57/18/526295718.db2.gz PDOOYQXLTABELL-GFCCVEGCSA-N 0 0 319.365 0.795 10 0 DCAERN Cc1csc(C2(NC(=O)[C@H](C)NS(C)(=O)=O)CCC2)n1 ZINC000266849783 526324071 /nfs/dbraw/zinc/32/40/71/526324071.db2.gz QJINPHRLYIAMSI-VIFPVBQESA-N 0 0 317.436 0.885 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126818226 526434402 /nfs/dbraw/zinc/43/44/02/526434402.db2.gz XLCOPZGSXRCCOF-CYBMUJFWSA-N 0 0 319.409 0.823 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000159167790 526553195 /nfs/dbraw/zinc/55/31/95/526553195.db2.gz KFVYKTPNGFUNHA-ZETCQYMHSA-N 0 0 308.381 0.099 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000156895790 526580510 /nfs/dbraw/zinc/58/05/10/526580510.db2.gz NDDATHDSBDRJJH-CMPLNLGQSA-N 0 0 308.300 0.771 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C)C2)n1 ZINC000365025541 526655996 /nfs/dbraw/zinc/65/59/96/526655996.db2.gz FKUTUJWCEHNXOQ-PWSUYJOCSA-N 0 0 322.365 0.536 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000330843174 526679576 /nfs/dbraw/zinc/67/95/76/526679576.db2.gz UCGWBZYPPMDURP-GFCCVEGCSA-N 0 0 322.390 0.643 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCC1(c2cccc(F)c2)CC1 ZINC000124794001 526721429 /nfs/dbraw/zinc/72/14/29/526721429.db2.gz AKVFAMBTJLKCCA-UHFFFAOYSA-N 0 0 305.309 0.525 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126659681 526738644 /nfs/dbraw/zinc/73/86/44/526738644.db2.gz ZAJARVIIOYMQNN-ZDUSSCGKSA-N 0 0 305.382 0.529 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC000116780098 526758818 /nfs/dbraw/zinc/75/88/18/526758818.db2.gz LJYKSZIIWCBKEB-CQSZACIVSA-N 0 0 319.409 0.756 10 0 DCAERN Cc1oc(C(=O)N[C@@H](C)[C@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000131875487 526760026 /nfs/dbraw/zinc/76/00/26/526760026.db2.gz MXVOWUJIKFFITP-BDAKNGLRSA-N 0 0 318.395 0.585 10 0 DCAERN CC(C)(C)c1nc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)no1 ZINC000299739359 526870472 /nfs/dbraw/zinc/87/04/72/526870472.db2.gz NQBGZKHLDXYVNH-SECBINFHSA-N 0 0 319.369 0.899 10 0 DCAERN O=C(c1cncc(Cl)n1)N1CCN(c2cccnn2)CC1 ZINC000188844861 526880281 /nfs/dbraw/zinc/88/02/81/526880281.db2.gz QIQPVDWVHVNGEV-UHFFFAOYSA-N 0 0 304.741 0.882 10 0 DCAERN O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@]2(CCOC2)C1 ZINC000184575905 526925046 /nfs/dbraw/zinc/92/50/46/526925046.db2.gz UKTSOSFTJSREFA-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)O1 ZINC000365028599 526976118 /nfs/dbraw/zinc/97/61/18/526976118.db2.gz OPGRYSYKCDGDIT-OUAUKWLOSA-N 0 0 309.391 0.882 10 0 DCAERN O=C(COc1ccccc1O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000151636902 526994626 /nfs/dbraw/zinc/99/46/26/526994626.db2.gz XKBPVWNPKWGNNN-CYBMUJFWSA-N 0 0 317.345 0.895 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)n[nH]1 ZINC000269406870 527033798 /nfs/dbraw/zinc/03/37/98/527033798.db2.gz XRGSNTYSWZGLQN-GWCFXTLKSA-N 0 0 306.366 0.784 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000156960392 527039305 /nfs/dbraw/zinc/03/93/05/527039305.db2.gz MPBZZCMKMWRZMB-NSHDSACASA-N 0 0 303.240 0.320 10 0 DCAERN Cc1nc2c(cnn2C)c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000246579388 527100467 /nfs/dbraw/zinc/10/04/67/527100467.db2.gz UAGUJWOOQUILIU-RISCZKNCSA-N 0 0 316.409 0.829 10 0 DCAERN Cn1c2cccc(C(=O)NC[C@H]3CN(C)CCO3)c2oc1=O ZINC000161679164 527107863 /nfs/dbraw/zinc/10/78/63/527107863.db2.gz ZGFUDKLIZIMHPS-JTQLQIEISA-N 0 0 305.334 0.192 10 0 DCAERN Cn1c2ncn(C[C@@H](O)C3CCCCC3)c2c(=O)n(C)c1=O ZINC000191278207 527125395 /nfs/dbraw/zinc/12/53/95/527125395.db2.gz ONRPYUKSPPXZJN-LLVKDONJSA-N 0 0 306.366 0.375 10 0 DCAERN Cn1cc([C@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000131386144 527326279 /nfs/dbraw/zinc/32/62/79/527326279.db2.gz VMFQOQLFZCOJTR-AWEZNQCLSA-N 0 0 307.354 0.102 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000174780534 527476333 /nfs/dbraw/zinc/47/63/33/527476333.db2.gz FHALYHJATNTJDA-OLZOCXBDSA-N 0 0 309.410 0.747 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H]3OCC[C@H]3C2)c1Cl ZINC000365952158 527487366 /nfs/dbraw/zinc/48/73/66/527487366.db2.gz FMQBFJLBZQFASI-DTWKUNHWSA-N 0 0 305.787 0.873 10 0 DCAERN Cn1nc(C(=O)N[C@H]2CCc3ncnn3C2)cc1OC(F)F ZINC000185545066 527545882 /nfs/dbraw/zinc/54/58/82/527545882.db2.gz OAANNJNQONKLRT-ZETCQYMHSA-N 0 0 312.280 0.358 10 0 DCAERN Cn1nccc1CCC(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000130483026 527603127 /nfs/dbraw/zinc/60/31/27/527603127.db2.gz UKXDZDMFMBGAIQ-GFCCVEGCSA-N 0 0 317.436 0.299 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000155241445 527616887 /nfs/dbraw/zinc/61/68/87/527616887.db2.gz MGAGOZOPJPRFBD-NHYWBVRUSA-N 0 0 306.366 0.512 10 0 DCAERN OC[C@H]1CCCN1c1cc(NCC2(CO)CCOCC2)ncn1 ZINC000164081118 527616902 /nfs/dbraw/zinc/61/69/02/527616902.db2.gz KTAGZBVSQLHOEG-CYBMUJFWSA-N 0 0 322.409 0.639 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@H]2CCSC2)CC(=O)N1C ZINC000366421090 527627420 /nfs/dbraw/zinc/62/74/20/527627420.db2.gz NYVNXZDXCOGOPN-KWBADKCTSA-N 0 0 308.407 0.561 10 0 DCAERN CCC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000178161325 527709895 /nfs/dbraw/zinc/70/98/95/527709895.db2.gz FBPKUEQPHQZNOV-UHFFFAOYSA-N 0 0 301.346 0.996 10 0 DCAERN CCCC(=O)NCC(=O)N[C@]1(CO)C[C@H](OCC)C1(C)C ZINC000188840086 527926098 /nfs/dbraw/zinc/92/60/98/527926098.db2.gz PMWUSTUWTLHAGM-NHYWBVRUSA-N 0 0 300.399 0.585 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000128640449 528439024 /nfs/dbraw/zinc/43/90/24/528439024.db2.gz VLSHWPAHLYASGH-QWHCGFSZSA-N 0 0 324.425 0.555 10 0 DCAERN CCCc1cc(=O)n2nc(NCCn3ccnn3)sc2n1 ZINC000302133376 528568590 /nfs/dbraw/zinc/56/85/90/528568590.db2.gz CNZAMHSUZJRHCF-UHFFFAOYSA-N 0 0 305.367 0.807 10 0 DCAERN CC(C)n1cc(C[C@H]2NC(=O)N(CCOCC3CC3)C2=O)nn1 ZINC000328613389 528570198 /nfs/dbraw/zinc/57/01/98/528570198.db2.gz RVSROWPFBYCPEQ-CYBMUJFWSA-N 0 0 321.381 0.953 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1C[C@H]1CC ZINC000454878084 535429638 /nfs/dbraw/zinc/42/96/38/535429638.db2.gz PFLSCNAYZZSBLU-KKOKHZNYSA-N 0 0 313.398 0.788 10 0 DCAERN CC1CCC(O)(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000087076873 545706057 /nfs/dbraw/zinc/70/60/57/545706057.db2.gz UGTITDLOTQMXBR-AKJUYKBHSA-N 0 0 320.455 0.871 10 0 DCAERN Cc1oc(C(=O)NCC[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000087899057 545709334 /nfs/dbraw/zinc/70/93/34/545709334.db2.gz VQNCDIQNECMQOB-SECBINFHSA-N 0 0 302.352 0.534 10 0 DCAERN Cc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000108252870 545734124 /nfs/dbraw/zinc/73/41/24/545734124.db2.gz INYQQUYZRSJUPD-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)NC[C@@H]1CCCC[C@@H]1O ZINC000124611210 545762703 /nfs/dbraw/zinc/76/27/03/545762703.db2.gz DNEVYTPJULWFKC-SRVKXCTJSA-N 0 0 304.412 0.414 10 0 DCAERN CC[C@]1(C)CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624163 545804329 /nfs/dbraw/zinc/80/43/29/545804329.db2.gz XSJVFBODXLEUAS-BLLLJJGKSA-N 0 0 311.426 0.613 10 0 DCAERN COc1cc(F)c(S(=O)(=O)NC2(CO)CC2)cc1OC ZINC000164230942 545874569 /nfs/dbraw/zinc/87/45/69/545874569.db2.gz SPVWSJYKWAVOKM-UHFFFAOYSA-N 0 0 305.327 0.646 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCCCNC3=O)no2)c1 ZINC000179288685 545897926 /nfs/dbraw/zinc/89/79/26/545897926.db2.gz USHRXDRYNJHWRS-LBPRGKRZSA-N 0 0 317.349 0.626 10 0 DCAERN COc1ccc([C@H](C)NCc2nc(N)nc(N)n2)cc1OC ZINC000180861146 545902559 /nfs/dbraw/zinc/90/25/59/545902559.db2.gz FWPHDSHMXQBAFO-QMMMGPOBSA-N 0 0 304.354 0.904 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)NCCCN1CCCC1=O ZINC000181678320 545903278 /nfs/dbraw/zinc/90/32/78/545903278.db2.gz UZMBKKIDTJIIGK-UHFFFAOYSA-N 0 0 315.373 0.852 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCCn1ccnn1 ZINC000182470431 545904910 /nfs/dbraw/zinc/90/49/10/545904910.db2.gz MTCVDXVRNOQAIY-LBPRGKRZSA-N 0 0 306.370 0.121 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000183528463 545908790 /nfs/dbraw/zinc/90/87/90/545908790.db2.gz UMXJRCHBKPMDJX-QWHCGFSZSA-N 0 0 309.370 0.258 10 0 DCAERN COc1cc(N2CCN(CC(=O)N(C)CC3CC3)CC2)ncn1 ZINC000184066997 545909741 /nfs/dbraw/zinc/90/97/41/545909741.db2.gz NRJXZTIGBAJCCI-UHFFFAOYSA-N 0 0 319.409 0.476 10 0 DCAERN CN(C)c1noc(CN2CCC[C@H](C(=O)NCC3CC3)C2)n1 ZINC000185247966 545912463 /nfs/dbraw/zinc/91/24/63/545912463.db2.gz XRGMHMXSFCTJPW-LBPRGKRZSA-N 0 0 307.398 0.874 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)C(C)C ZINC000188726839 545918212 /nfs/dbraw/zinc/91/82/12/545918212.db2.gz KJBBAOCCUNWJKZ-IUODEOHRSA-N 0 0 311.426 0.910 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000189087485 545919213 /nfs/dbraw/zinc/91/92/13/545919213.db2.gz OEIZVSUFDCNHFI-JTQLQIEISA-N 0 0 314.411 0.687 10 0 DCAERN C[C@H](c1nnnn1C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000189157602 545920662 /nfs/dbraw/zinc/92/06/62/545920662.db2.gz NTSGOUIJUFZCGD-UKRRQHHQSA-N 0 0 316.409 0.622 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)O1 ZINC000189600170 545921746 /nfs/dbraw/zinc/92/17/46/545921746.db2.gz KPOOBBWDAZLGPD-WDEREUQCSA-N 0 0 304.412 0.484 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cncnc1 ZINC000191547877 545926381 /nfs/dbraw/zinc/92/63/81/545926381.db2.gz ZHRVMUNNUYFVNV-UHFFFAOYSA-N 0 0 304.375 0.947 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000193328398 545931478 /nfs/dbraw/zinc/93/14/78/545931478.db2.gz ITYZVTSTFNTYBS-RYUDHWBXSA-N 0 0 318.377 0.797 10 0 DCAERN Cc1c(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)ccn1C ZINC000195300068 545934134 /nfs/dbraw/zinc/93/41/34/545934134.db2.gz ZBCUNENFULUWHM-UHFFFAOYSA-N 0 0 301.350 0.556 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)ccn1C ZINC000195284344 545934509 /nfs/dbraw/zinc/93/45/09/545934509.db2.gz XDOHLMMPLCETCA-ZDUSSCGKSA-N 0 0 315.377 0.992 10 0 DCAERN COc1cc(C)nc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1 ZINC000214143569 545937946 /nfs/dbraw/zinc/93/79/46/545937946.db2.gz IVQIYWHBGYZGFZ-UHFFFAOYSA-N 0 0 301.412 0.816 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1 ZINC000238970999 545960554 /nfs/dbraw/zinc/96/05/54/545960554.db2.gz ZKCAZFKMKAWIAT-UHFFFAOYSA-N 0 0 307.375 0.228 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000246062325 545962681 /nfs/dbraw/zinc/96/26/81/545962681.db2.gz WJRLUNLSFOWPTF-CHWSQXEVSA-N 0 0 314.411 0.814 10 0 DCAERN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000248972979 545970309 /nfs/dbraw/zinc/97/03/09/545970309.db2.gz CZLWBVWYMRSZCX-NEPJUHHUSA-N 0 0 305.353 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)CCS1(=O)=O ZINC000251519072 545973988 /nfs/dbraw/zinc/97/39/88/545973988.db2.gz COPZJOWGORKKDP-KXNHARMFSA-N 0 0 302.396 0.382 10 0 DCAERN CCn1cnc2c(c1=O)CCN(Cc1ncnn1C(C)C)C2 ZINC000329179860 546043985 /nfs/dbraw/zinc/04/39/85/546043985.db2.gz MUYCRFBGELAFQF-UHFFFAOYSA-N 0 0 302.382 0.994 10 0 DCAERN O=S(=O)(N1CCCC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000329741298 546055052 /nfs/dbraw/zinc/05/50/52/546055052.db2.gz OMZREZXQKRXBBN-AWEZNQCLSA-N 0 0 317.455 0.514 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@H]2CCO[C@@H]2C)C1 ZINC000332785489 546059740 /nfs/dbraw/zinc/05/97/40/546059740.db2.gz QWCMELJCDIYCRD-YJQGPUDQSA-N 0 0 309.370 0.762 10 0 DCAERN C[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1ccc(S(N)(=O)=O)cc1 ZINC000332870480 546064340 /nfs/dbraw/zinc/06/43/40/546064340.db2.gz VWLDJWHMWPCWEA-PSOPSSQASA-N 0 0 324.402 0.938 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C)CCO2)o1 ZINC000333266901 546075341 /nfs/dbraw/zinc/07/53/41/546075341.db2.gz BVQLVOFOTUHLGC-AXFHLTTASA-N 0 0 310.354 0.892 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333383516 546079668 /nfs/dbraw/zinc/07/96/68/546079668.db2.gz BUNPEZRYXWDDFN-QJPTWQEYSA-N 0 0 311.407 0.611 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333574181 546085791 /nfs/dbraw/zinc/08/57/91/546085791.db2.gz YQRQPXHXKFMMPO-TXYIGXEZSA-N 0 0 306.406 0.863 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2coc(Br)c2)C1 ZINC000355070162 546181021 /nfs/dbraw/zinc/18/10/21/546181021.db2.gz ODJGKUOIRVXAAM-JTQLQIEISA-N 0 0 303.112 0.104 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605395 546627336 /nfs/dbraw/zinc/62/73/36/546627336.db2.gz GMCQTWXMFRGYGO-CQSZACIVSA-N 0 0 315.377 0.387 10 0 DCAERN O[C@]1(Cn2ccnn2)CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000671465958 547218636 /nfs/dbraw/zinc/21/86/36/547218636.db2.gz CDBPXJMQXBKBQD-LLVKDONJSA-N 0 0 314.271 0.728 10 0 DCAERN CC(C)(C)n1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)nn1 ZINC000671492748 547225192 /nfs/dbraw/zinc/22/51/92/547225192.db2.gz IZZLOAKMNXOVAE-AWEZNQCLSA-N 0 0 305.386 0.262 10 0 DCAERN CC(C)(C)n1cc(CN2CC[C@](O)(Cn3ccnn3)C2)nn1 ZINC000671492749 547225788 /nfs/dbraw/zinc/22/57/88/547225788.db2.gz IZZLOAKMNXOVAE-CQSZACIVSA-N 0 0 305.386 0.262 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)NCCCN1CCOC1=O ZINC000188356888 661081794 /nfs/dbraw/zinc/08/17/94/661081794.db2.gz YMWLVWSSBJUFII-UHFFFAOYSA-N 0 0 306.366 0.790 10 0 DCAERN CCc1[nH]ccc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093554 661158660 /nfs/dbraw/zinc/15/86/60/661158660.db2.gz FZTXKZQVYVJCNL-UONOGXRCSA-N 0 0 304.350 0.887 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@@H]3C[C@@H]3C)CC2)n[nH]1 ZINC000888094454 661159958 /nfs/dbraw/zinc/15/99/58/661159958.db2.gz RBADPEPHROBDTJ-ONGXEEELSA-N 0 0 305.382 0.916 10 0 DCAERN CCc1ocnc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888094908 661161807 /nfs/dbraw/zinc/16/18/07/661161807.db2.gz GSLOZEXFSIPTTL-GAFUQQFSSA-N 0 0 307.350 0.793 10 0 DCAERN CCOC(=O)[C@H](CSC)NC(=O)CNC(=O)OC(C)(C)C ZINC000238251974 665442434 /nfs/dbraw/zinc/44/24/34/665442434.db2.gz BGUUFRVDZGMEOZ-VIFPVBQESA-N 0 0 320.411 0.922 10 0 DCAERN Cn1ccsc1=NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000255377878 657553343 /nfs/dbraw/zinc/55/33/43/657553343.db2.gz FTKXNWNIMUSNJN-UHFFFAOYSA-N 0 0 317.418 0.975 10 0 DCAERN Cc1nnc(SCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)n1N ZINC000255123604 657607480 /nfs/dbraw/zinc/60/74/80/657607480.db2.gz FHWPDKCTKRSQQI-QMMMGPOBSA-N 0 0 321.410 0.621 10 0 DCAERN CN(CCS(C)(=O)=O)S(=O)(=O)/C=C\c1ccccc1 ZINC000255398227 657894155 /nfs/dbraw/zinc/89/41/55/657894155.db2.gz OGPRIJJVLZZBMY-NTMALXAHSA-N 0 0 303.405 0.964 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1Cl ZINC000168674727 657963646 /nfs/dbraw/zinc/96/36/46/657963646.db2.gz VFXPMEKPLDMEFU-VIFPVBQESA-N 0 0 321.782 0.730 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)c1cc(C)cc(C)c1 ZINC000047551287 658018775 /nfs/dbraw/zinc/01/87/75/658018775.db2.gz SCNILXNPVXSFHW-UHFFFAOYSA-N 0 0 311.385 0.609 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)C(C)C ZINC000178455344 658019780 /nfs/dbraw/zinc/01/97/80/658019780.db2.gz KRDMJRQHIKYYGK-OLZOCXBDSA-N 0 0 311.357 0.929 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNCc1csc(C2CC2)n1 ZINC000725050164 658083068 /nfs/dbraw/zinc/08/30/68/658083068.db2.gz LAPTUZBZARTBFG-LBPRGKRZSA-N 0 0 315.464 0.887 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H]2CNCCS2(=O)=O)c(F)c1 ZINC000725061039 658093965 /nfs/dbraw/zinc/09/39/65/658093965.db2.gz NQMUDGUEZLIPEK-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN Cc1ccc(F)c(NC(=O)C[C@@H]2CNCCS2(=O)=O)c1 ZINC000725060383 658094193 /nfs/dbraw/zinc/09/41/93/658094193.db2.gz JVGNGSAVPMOPCT-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN Cn1cc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000176861405 658155212 /nfs/dbraw/zinc/15/52/12/658155212.db2.gz QLETUTLYLIXFGZ-UHFFFAOYSA-N 0 0 320.393 0.521 10 0 DCAERN COC(=O)c1cn(CN2CCN(CC(F)(F)F)[C@H](C)C2)nn1 ZINC000134822098 658290694 /nfs/dbraw/zinc/29/06/94/658290694.db2.gz GSBYYJXBKWDMMB-SECBINFHSA-N 0 0 321.303 0.591 10 0 DCAERN O=C(CN1CCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000160720281 658368871 /nfs/dbraw/zinc/36/88/71/658368871.db2.gz MLTADDRALAWSHX-KBPBESRZSA-N 0 0 310.394 0.605 10 0 DCAERN CN1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000048742596 658426347 /nfs/dbraw/zinc/42/63/47/658426347.db2.gz PEBJIJUXKVZYPC-SECBINFHSA-N 0 0 314.798 0.970 10 0 DCAERN O=C1NC[C@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCN12 ZINC000255698685 658483249 /nfs/dbraw/zinc/48/32/49/658483249.db2.gz LNCBJJAOQUDWAC-XURPKSDJSA-N 0 0 307.375 0.697 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000179414300 658496021 /nfs/dbraw/zinc/49/60/21/658496021.db2.gz KXPBVWRCDOYLSZ-NEPJUHHUSA-N 0 0 304.481 0.750 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2cn(C)nc2C)C1=O ZINC000888075933 658707482 /nfs/dbraw/zinc/70/74/82/658707482.db2.gz BHZNLFQICAIYAH-CYBMUJFWSA-N 0 0 308.382 0.372 10 0 DCAERN CC(C)c1nc(CN2CCC[C@](O)(Cc3nncn3C)C2)no1 ZINC000888077234 658717268 /nfs/dbraw/zinc/71/72/68/658717268.db2.gz VPGIUHNXAHRGOT-HNNXBMFYSA-N 0 0 320.397 0.891 10 0 DCAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CC(N)=O)CC1 ZINC000255316101 658720272 /nfs/dbraw/zinc/72/02/72/658720272.db2.gz LXWLLGGZCHNHKF-BENRWUELSA-N 0 0 305.353 0.859 10 0 DCAERN C#Cc1cccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000155775239 658880964 /nfs/dbraw/zinc/88/09/64/658880964.db2.gz SPMZITWPRLUHIL-DGCLKSJQSA-N 0 0 313.357 0.719 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)NCCCn2ccnn2)c1 ZINC000183515235 659181307 /nfs/dbraw/zinc/18/13/07/659181307.db2.gz MGMZBBKKSSBHQO-AWEZNQCLSA-N 0 0 319.365 0.710 10 0 DCAERN O=C(c1cncc(Br)c1)N1CCOC[C@H]1CO ZINC000168173942 659323223 /nfs/dbraw/zinc/32/32/23/659323223.db2.gz KSTOIDIOVPKDIC-SNVBAGLBSA-N 0 0 301.140 0.677 10 0 DCAERN COC(=O)c1sc(N2CC[C@](O)(C(N)=O)C2)nc1Cl ZINC000311854567 659382372 /nfs/dbraw/zinc/38/23/72/659382372.db2.gz PJBGJWBMUSPYKW-SNVBAGLBSA-N 0 0 305.743 0.010 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@@H]1C ZINC000094819329 661295311 /nfs/dbraw/zinc/29/53/11/661295311.db2.gz QTSJSUQZBZGNFL-CBAPKCEASA-N 0 0 311.363 0.983 10 0 DCAERN CCN1CCN(CC(=O)OCc2sccc2C)C(=O)C1=O ZINC000182218227 665753672 /nfs/dbraw/zinc/75/36/72/665753672.db2.gz CRXUESFHEBKJNT-UHFFFAOYSA-N 0 0 310.375 0.790 10 0 DCAERN Cc1ccccc1-c1noc(C[C@H]2CS(=O)(=O)CCN2)n1 ZINC000126121276 661445842 /nfs/dbraw/zinc/44/58/42/661445842.db2.gz PAMXCUQBSUBCQS-NSHDSACASA-N 0 0 307.375 0.974 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1ccsc1 ZINC000047044991 661457955 /nfs/dbraw/zinc/45/79/55/661457955.db2.gz FOBZOMHUPGVDBN-UHFFFAOYSA-N 0 0 303.387 0.049 10 0 DCAERN COC(=O)C[C@H]1CCCN1Cn1nc(CO)n(C)c1=S ZINC000178773133 661550253 /nfs/dbraw/zinc/55/02/53/661550253.db2.gz OCTUZIICYKHRCO-SECBINFHSA-N 0 0 300.384 0.428 10 0 DCAERN Cn1cc(C(=O)N2CCC3(C2)CCCCC3)c(=O)n(C)c1=O ZINC000741974942 665777449 /nfs/dbraw/zinc/77/74/49/665777449.db2.gz DARVAESBOXQPKX-UHFFFAOYSA-N 0 0 305.378 0.880 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(C)C ZINC000178930679 662029187 /nfs/dbraw/zinc/02/91/87/662029187.db2.gz AFXNVLWBYJTRKY-QMMMGPOBSA-N 0 0 322.818 0.431 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNc1ncnc2ccsc21 ZINC000721810818 662103145 /nfs/dbraw/zinc/10/31/45/662103145.db2.gz BYEWDMLLXDQVFQ-VIFPVBQESA-N 0 0 312.420 0.880 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000727171497 662143968 /nfs/dbraw/zinc/14/39/68/662143968.db2.gz UONAIEUNRZOANX-GFCCVEGCSA-N 0 0 322.390 0.448 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@@H]1C ZINC000895582298 662197310 /nfs/dbraw/zinc/19/73/10/662197310.db2.gz TXSMCJNEIDKZRG-QWHCGFSZSA-N 0 0 318.421 0.967 10 0 DCAERN COC(=O)[C@@H]1CN(Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000728565230 662406287 /nfs/dbraw/zinc/40/62/87/662406287.db2.gz QANJLTMLRDMBHH-ZDUSSCGKSA-N 0 0 305.334 0.171 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000346674747 662428031 /nfs/dbraw/zinc/42/80/31/662428031.db2.gz CFDFVZIUUVRPPX-JCECCZPMSA-N 0 0 304.437 0.276 10 0 DCAERN Cn1c(=O)ccn(CC(=O)OCCCOC2CCCC2)c1=O ZINC000127207274 662450439 /nfs/dbraw/zinc/45/04/39/662450439.db2.gz IQXDLMZDDMPURY-UHFFFAOYSA-N 0 0 310.350 0.440 10 0 DCAERN C[C@H]1CN(C)C[C@@H](C(=O)NCc2nc(C(F)(F)F)no2)O1 ZINC000897358592 662515140 /nfs/dbraw/zinc/51/51/40/662515140.db2.gz WBEITXCFUXHWJS-BQBZGAKWSA-N 0 0 308.260 0.424 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2CCCC[C@@H]2O)C1 ZINC000263474238 662694039 /nfs/dbraw/zinc/69/40/39/662694039.db2.gz MDDYNOBAEGHESO-TUUUFIMRSA-N 0 0 313.398 0.527 10 0 DCAERN CN(C[C@H]1CCc2nccn2C1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897472657 662769594 /nfs/dbraw/zinc/76/95/94/662769594.db2.gz KUWQZEYSINNUJN-UKRRQHHQSA-N 0 0 318.421 0.625 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000179271154 662849520 /nfs/dbraw/zinc/84/95/20/662849520.db2.gz QLUQWQRYTAGIRK-ZDUSSCGKSA-N 0 0 317.345 0.859 10 0 DCAERN CC(C)[C@@H](OC(=O)C1CCC(NC(N)=O)CC1)C(=O)N(C)C ZINC000729705525 662907853 /nfs/dbraw/zinc/90/78/53/662907853.db2.gz NSQCGLKCCAEXIY-HTAVTVPLSA-N 0 0 313.398 0.870 10 0 DCAERN Cn1ccc(C(=O)COC(=O)COc2ccccc2C(N)=O)c1 ZINC000729928450 662914310 /nfs/dbraw/zinc/91/43/10/662914310.db2.gz VYNILFVOZTXNHP-UHFFFAOYSA-N 0 0 316.313 0.929 10 0 DCAERN C[C@H](O)[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000344915049 663080901 /nfs/dbraw/zinc/08/09/01/663080901.db2.gz HNDIWOFZPHPEQH-IUCAKERBSA-N 0 0 307.393 0.138 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000345452022 663087524 /nfs/dbraw/zinc/08/75/24/663087524.db2.gz RMPXUQIFCOLJIY-ZIAGYGMSSA-N 0 0 321.402 0.983 10 0 DCAERN C/C=C/[C@@H](O)C(=O)N1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000908104786 663733792 /nfs/dbraw/zinc/73/37/92/663733792.db2.gz VNLRDJOZNDUOMR-BYOPPYECSA-N 0 0 307.394 0.935 10 0 DCAERN O=C(Cc1ccc(O)c(F)c1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909185718 663784456 /nfs/dbraw/zinc/78/44/56/663784456.db2.gz BXXFLJDABFVBPF-ZLDLUXBVSA-N 0 0 305.309 0.761 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@@H]2CO)c(C)n1-c1ccn(C)n1 ZINC000912414860 664168685 /nfs/dbraw/zinc/16/86/85/664168685.db2.gz FCNJBHVHNXHBJX-ZDUSSCGKSA-N 0 0 318.377 0.661 10 0 DCAERN O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOC[C@H]1CO ZINC000912415905 664173275 /nfs/dbraw/zinc/17/32/75/664173275.db2.gz LRMWQTVUWRLQND-GFCCVEGCSA-N 0 0 324.343 0.871 10 0 DCAERN O=C(c1ccnc(OCC(F)F)c1)N1CCOC[C@@H]1CO ZINC000912418515 664173887 /nfs/dbraw/zinc/17/38/87/664173887.db2.gz OTJCJYSEJPPEFK-JTQLQIEISA-N 0 0 302.277 0.559 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)Cn1cccn1 ZINC000913092339 664265121 /nfs/dbraw/zinc/26/51/21/664265121.db2.gz OVVZCWHIVMOJRY-IUODEOHRSA-N 0 0 303.366 0.880 10 0 DCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)OCC(N)=O)CC2 ZINC000151311200 664308408 /nfs/dbraw/zinc/30/84/08/664308408.db2.gz PABADELTUTTWFF-SSDOTTSWSA-N 0 0 317.267 0.937 10 0 DCAERN C=CCNC(=O)COC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000044962036 664376618 /nfs/dbraw/zinc/37/66/18/664376618.db2.gz KNXQBIKANSJQGK-UHFFFAOYSA-N 0 0 320.345 0.977 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000157092944 664412918 /nfs/dbraw/zinc/41/29/18/664412918.db2.gz QBVPMESEUXFYOU-GMSGAONNSA-N 0 0 302.327 0.380 10 0 DCAERN CC(C)c1nsc(NCC[C@@H]2CNCCS2(=O)=O)n1 ZINC000721722788 664468544 /nfs/dbraw/zinc/46/85/44/664468544.db2.gz BCFIOLQVRIMGLT-SECBINFHSA-N 0 0 304.441 0.850 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(F)c(F)c1 ZINC000167589403 664503477 /nfs/dbraw/zinc/50/34/77/664503477.db2.gz OHWSNKZSAGVASN-SECBINFHSA-N 0 0 304.318 0.680 10 0 DCAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCOC[C@H]1CO ZINC000168460207 664523837 /nfs/dbraw/zinc/52/38/37/664523837.db2.gz YIGSDPJQMRKMNN-OLZOCXBDSA-N 0 0 306.387 0.768 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000227813261 664539193 /nfs/dbraw/zinc/53/91/93/664539193.db2.gz OAJIKIHIIQLIOR-VHSXEESVSA-N 0 0 307.368 0.010 10 0 DCAERN CC(C)N1C(=O)C(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1=O ZINC000171361113 664607439 /nfs/dbraw/zinc/60/74/39/664607439.db2.gz IUQUGEOQJAQCMV-LBPRGKRZSA-N 0 0 319.365 0.714 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)N[C@H]1CCC[C@@H]1O ZINC000172540460 664622804 /nfs/dbraw/zinc/62/28/04/664622804.db2.gz SYVYNYOYQXEGFO-STQMWFEESA-N 0 0 301.350 0.980 10 0 DCAERN COC1CC(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000230725529 664623860 /nfs/dbraw/zinc/62/38/60/664623860.db2.gz OQRKGZCAUDBSRE-UHFFFAOYSA-N 0 0 318.782 0.895 10 0 DCAERN C[C@@H](OC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(N)=O ZINC000173269701 664627769 /nfs/dbraw/zinc/62/77/69/664627769.db2.gz LDHMQTULPXGOGC-LLVKDONJSA-N 0 0 304.346 0.956 10 0 DCAERN O=C(c1ncccc1Br)N1CCOC[C@H]1CO ZINC000231764831 664631387 /nfs/dbraw/zinc/63/13/87/664631387.db2.gz QLQYIOFNEJHTMV-MRVPVSSYSA-N 0 0 301.140 0.677 10 0 DCAERN O=C(c1ncccc1Br)N1CCOC[C@@H]1CO ZINC000231764829 664631491 /nfs/dbraw/zinc/63/14/91/664631491.db2.gz QLQYIOFNEJHTMV-QMMMGPOBSA-N 0 0 301.140 0.677 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)c1cccc(-n2cncn2)c1 ZINC000152118329 664734413 /nfs/dbraw/zinc/73/44/13/664734413.db2.gz YCGBFHTUZVBKDM-UHFFFAOYSA-N 0 0 322.390 0.774 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC000351024069 664757863 /nfs/dbraw/zinc/75/78/63/664757863.db2.gz COINKHFGUHZRTP-GJZGRUSLSA-N 0 0 322.430 0.970 10 0 DCAERN CC1(C)CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1=O ZINC000152829314 664775659 /nfs/dbraw/zinc/77/56/59/664775659.db2.gz NIRMLFFTZZPGBW-GFCCVEGCSA-N 0 0 306.366 0.327 10 0 DCAERN C[C@H](NC(=O)COC(=O)C1=COCCC1)C(=O)N1CCCCC1 ZINC000730849651 664820446 /nfs/dbraw/zinc/82/04/46/664820446.db2.gz IBNKQOOTNRMCIW-LBPRGKRZSA-N 0 0 324.377 0.741 10 0 DCAERN CCS(=O)(=O)CC(=O)OCCN(C)C(=O)OC(C)(C)C ZINC000731141211 664839839 /nfs/dbraw/zinc/83/98/39/664839839.db2.gz ZQVOKZFLHRIWDS-UHFFFAOYSA-N 0 0 309.384 0.831 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](CO)Cc1ccco1 ZINC000741424562 664842301 /nfs/dbraw/zinc/84/23/01/664842301.db2.gz ZRPIJUWOPRVLGR-GIPWTMENSA-N 0 0 302.396 0.498 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC(n3cncn3)C2)cn1 ZINC000732760062 664958142 /nfs/dbraw/zinc/95/81/42/664958142.db2.gz VZULRBFVFIZCIC-UHFFFAOYSA-N 0 0 302.338 0.496 10 0 DCAERN O=C1OCC[C@H]1N1CCN(Cc2nccn2C(F)F)CC1 ZINC000175076638 665312557 /nfs/dbraw/zinc/31/25/57/665312557.db2.gz SMSNRQYCKQIABW-SNVBAGLBSA-N 0 0 300.309 0.711 10 0 DCAERN CCCCN(CN1CCOC1=S)[C@H]1CCS(=O)(=O)C1 ZINC000073448149 665359615 /nfs/dbraw/zinc/35/96/15/665359615.db2.gz PBOYLEQXCKFBLQ-NSHDSACASA-N 0 0 306.453 0.850 10 0 DCAERN CC[NH+]1CCN(c2ccc(C(=O)[N-]S(C)(=O)=O)cc2)CC1 ZINC000179819819 665403947 /nfs/dbraw/zinc/40/39/47/665403947.db2.gz KQWYLGWRQKJVMX-UHFFFAOYSA-N 0 0 311.407 0.518 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCCC[C@H]1O ZINC000085979989 666269933 /nfs/dbraw/zinc/26/99/33/666269933.db2.gz WKPLEUSTICKKOJ-IJLUTSLNSA-N 0 0 321.464 0.574 10 0 DCAERN C[C@H]1CN(C(=O)NCCc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000185009913 666318535 /nfs/dbraw/zinc/31/85/35/666318535.db2.gz PNXBTACBWQDTJW-DZGCQCFKSA-N 0 0 321.425 0.325 10 0 DCAERN COCC(=O)N(C)CC(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185100570 666333334 /nfs/dbraw/zinc/33/33/34/666333334.db2.gz ACUBFDSDUDIVKN-VIFPVBQESA-N 0 0 312.288 0.271 10 0 DCAERN O=C(NC[C@H](O)c1ccsc1)c1cc2c(=O)[nH]cnc2cn1 ZINC000186530926 666456554 /nfs/dbraw/zinc/45/65/54/666456554.db2.gz FEPQTSODNCQDPD-LBPRGKRZSA-N 0 0 316.342 0.843 10 0 DCAERN CC1(CCNC(=O)Cn2cnc3ccccc3c2=O)OCCO1 ZINC000185654491 666539807 /nfs/dbraw/zinc/53/98/07/666539807.db2.gz CQPOCBYCMKKULG-UHFFFAOYSA-N 0 0 317.345 0.666 10 0 DCAERN Cn1cc(C(=O)N2CCCN(C(=O)C3CC3)CC2)ccc1=O ZINC000186657261 666572130 /nfs/dbraw/zinc/57/21/30/666572130.db2.gz MVYRFYTWOZSLNW-UHFFFAOYSA-N 0 0 303.362 0.470 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cnn(C)c1 ZINC000073928621 666599732 /nfs/dbraw/zinc/59/97/32/666599732.db2.gz PBJOCODWEPDHAU-GFCCVEGCSA-N 0 0 315.395 0.668 10 0 DCAERN O=C(C1CCN(C[C@H](O)CN2CCCC2=O)CC1)C(F)(F)F ZINC000186057983 666662765 /nfs/dbraw/zinc/66/27/65/666662765.db2.gz YKJXGWGWLJPQNK-NSHDSACASA-N 0 0 322.327 0.813 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)c1 ZINC000186103924 666679556 /nfs/dbraw/zinc/67/95/56/666679556.db2.gz ATIXSEDVNQAHPO-KBPBESRZSA-N 0 0 314.345 0.912 10 0 DCAERN CN(Cc1cnccn1)S(=O)(=O)c1ncn(C)c1Cl ZINC000700106683 666683065 /nfs/dbraw/zinc/68/30/65/666683065.db2.gz QJXRYHHLIPTIMV-UHFFFAOYSA-N 0 0 301.759 0.684 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1cc(Br)cnc1F ZINC000700875989 666775465 /nfs/dbraw/zinc/77/54/65/666775465.db2.gz AUBQVQSQYRPYFQ-SNVBAGLBSA-N 0 0 307.119 0.456 10 0 DCAERN O=C(N[C@@H]1CCNC1=O)c1cc(Br)cnc1F ZINC000700921685 666784524 /nfs/dbraw/zinc/78/45/24/666784524.db2.gz CUUAKPUUCCFYQY-SSDOTTSWSA-N 0 0 302.103 0.602 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000733881184 666823797 /nfs/dbraw/zinc/82/37/97/666823797.db2.gz XZMDCEVHLKAFTJ-LJQANCHMSA-N 0 0 318.420 0.557 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)N1CCc2ccccc2C1 ZINC000733900456 666824922 /nfs/dbraw/zinc/82/49/22/666824922.db2.gz YPNGFPDKAXRGII-LJQANCHMSA-N 0 0 316.448 0.648 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cn(C)nc1-c1ccncc1 ZINC000733960560 666832270 /nfs/dbraw/zinc/83/22/70/666832270.db2.gz YGNSWFALCCXKEL-OAQYLSRUSA-N 0 0 306.391 0.981 10 0 DCAERN CCCC1N=NC(=S)N1CC(=O)NCC[S@@](=O)CC ZINC000733965846 666833054 /nfs/dbraw/zinc/83/30/54/666833054.db2.gz KAIIYZZSVQRNHX-IBGZPJMESA-N 0 0 304.441 0.404 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000733964807 666833084 /nfs/dbraw/zinc/83/30/84/666833084.db2.gz BINUDZFQEFFMCF-FPTDNZKUSA-N 0 0 322.430 0.920 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000735109469 666947054 /nfs/dbraw/zinc/94/70/54/666947054.db2.gz FNTNHOJVYLGYFT-XUSGNXJCSA-N 0 0 317.455 0.703 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000735109399 666947246 /nfs/dbraw/zinc/94/72/46/666947246.db2.gz IAENBZQBXGZBEF-NRFANRHFSA-N 0 0 317.455 0.655 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000735079775 666947307 /nfs/dbraw/zinc/94/73/07/666947307.db2.gz GAZCKFFCCDEKQM-LJQANCHMSA-N 0 0 317.392 0.578 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)c1nnc2ccccn21 ZINC000735091375 666950589 /nfs/dbraw/zinc/95/05/89/666950589.db2.gz ZCRKTWFEZSRGRR-UZJPJQLHSA-N 0 0 309.395 0.858 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1nncn1-c1ccccc1 ZINC000735096953 666951545 /nfs/dbraw/zinc/95/15/45/666951545.db2.gz FOGILIXVWHELQI-QFIPXVFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC000735116522 666955977 /nfs/dbraw/zinc/95/59/77/666955977.db2.gz OFBBMCDFBXUEAV-WIUDPPPLSA-N 0 0 319.471 0.994 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)N1CCc2cccc(C)c21 ZINC000735198841 666966090 /nfs/dbraw/zinc/96/60/90/666966090.db2.gz YFJFZQBYWLPERL-NRFANRHFSA-N 0 0 308.403 0.769 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C)ccc1OC ZINC000735197927 666966361 /nfs/dbraw/zinc/96/63/61/666966361.db2.gz CGYSGBIOYBDKSP-OAQYLSRUSA-N 0 0 312.391 0.827 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000735202388 666968407 /nfs/dbraw/zinc/96/84/07/666968407.db2.gz VJEBUDKXDDCMKJ-QFIPXVFZSA-N 0 0 323.418 0.455 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000702812135 666998701 /nfs/dbraw/zinc/99/87/01/666998701.db2.gz CLEMELIKHRFWSU-SRVKXCTJSA-N 0 0 314.382 0.367 10 0 DCAERN COC(=O)N1CCC[C@H](NC(=O)N(C)Cc2cnccn2)C1 ZINC000735579806 667007554 /nfs/dbraw/zinc/00/75/54/667007554.db2.gz MIHJAIPHZMEEKT-NSHDSACASA-N 0 0 307.354 0.849 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000737214166 667101895 /nfs/dbraw/zinc/10/18/95/667101895.db2.gz BWFCTNCUODNXFM-LJQANCHMSA-N 0 0 303.771 0.558 10 0 DCAERN CCc1oc(C(=O)NCCOCCS(C)(=O)=O)cc1C ZINC000119345886 667119567 /nfs/dbraw/zinc/11/95/67/667119567.db2.gz QMRFURHIQLOZOC-UHFFFAOYSA-N 0 0 303.380 0.941 10 0 DCAERN COCc1nn(CN2CCC[C@H]2Cn2ccnc2C)c(=O)o1 ZINC000119816449 667205629 /nfs/dbraw/zinc/20/56/29/667205629.db2.gz IHKWHVAJRGBYFH-LBPRGKRZSA-N 0 0 307.354 0.610 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCCc1cn[nH]c1 ZINC000120246988 667287851 /nfs/dbraw/zinc/28/78/51/667287851.db2.gz SDUUDJIZUXCXQM-UHFFFAOYSA-N 0 0 314.301 0.199 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000355816949 667323222 /nfs/dbraw/zinc/32/32/22/667323222.db2.gz UWRJDKBBBOJOAH-SMDDNHRTSA-N 0 0 300.424 0.965 10 0 DCAERN CC(=O)CCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000121131103 667383394 /nfs/dbraw/zinc/38/33/94/667383394.db2.gz HHSNNQLILHYSKM-UHFFFAOYSA-N 0 0 314.411 0.014 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2csc(Cl)n2)C1 ZINC000707399587 667438234 /nfs/dbraw/zinc/43/82/34/667438234.db2.gz RENBBMRGHHHBLO-LURJTMIESA-N 0 0 309.800 0.690 10 0 DCAERN CC1(C)CN(S(=O)(=O)C2CCC(=O)CC2)C[C@H](CO)O1 ZINC000708239667 667442326 /nfs/dbraw/zinc/44/23/26/667442326.db2.gz DVFVHYVFVPQBMP-LLVKDONJSA-N 0 0 305.396 0.300 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(F)ccc1O ZINC000708275273 667442446 /nfs/dbraw/zinc/44/24/46/667442446.db2.gz QABNHQMMPCLZFZ-UHFFFAOYSA-N 0 0 304.343 0.589 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1cccnc1F ZINC000709500771 667445277 /nfs/dbraw/zinc/44/52/77/667445277.db2.gz CWFRTVSXFIARFE-SNVBAGLBSA-N 0 0 303.359 0.172 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(Br)cnc1F ZINC000717296645 667537603 /nfs/dbraw/zinc/53/76/03/667537603.db2.gz FDJMJUHVYBJSML-XNCJUZBTSA-N 0 0 307.119 0.455 10 0 DCAERN CC(C)n1cncc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026739 667725337 /nfs/dbraw/zinc/72/53/37/667725337.db2.gz SKAAEACOMRKLCP-MRXNPFEDSA-N 0 0 321.425 0.226 10 0 DCAERN CN1C(=O)C[C@@H](CNS(=O)(=O)CC2CC2)[C@@H]1c1ccncc1 ZINC000886044844 667726883 /nfs/dbraw/zinc/72/68/83/667726883.db2.gz CNZJFSAQMHWIHC-ZFWWWQNUSA-N 0 0 323.418 0.930 10 0 DCAERN Cc1cnc(N2CCC[C@@](O)(Cc3nncn3C)C2)nc1C ZINC000886065380 667728076 /nfs/dbraw/zinc/72/80/76/667728076.db2.gz BNORHNYLVGVDMV-OAHLLOKOSA-N 0 0 302.382 0.796 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCCc3n[nH]cc32)C1=O ZINC000886078510 667729807 /nfs/dbraw/zinc/72/98/07/667729807.db2.gz YXOWQWZOTZXNPK-ZDUSSCGKSA-N 0 0 306.366 0.716 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2ccncc2F)C1 ZINC000886088446 667730767 /nfs/dbraw/zinc/73/07/67/667730767.db2.gz HASPFRIBCABXQR-OAHLLOKOSA-N 0 0 305.357 0.919 10 0 DCAERN O=C(NC[C@H](O)C(F)(F)F)c1c[nH]nc1C1CCOCC1 ZINC000886088636 667730827 /nfs/dbraw/zinc/73/08/27/667730827.db2.gz LUUCFVATLXLXTJ-VIFPVBQESA-N 0 0 307.272 0.957 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(Cc2c(Cl)cnn2C)C1 ZINC000886088785 667730910 /nfs/dbraw/zinc/73/09/10/667730910.db2.gz MMGRXDKPQFIZAF-CQSZACIVSA-N 0 0 324.816 0.772 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000740916474 667754329 /nfs/dbraw/zinc/75/43/29/667754329.db2.gz DHXZUVGHYXOVOZ-BFKGZMGPSA-N 0 0 324.468 0.410 10 0 DCAERN CCOc1ccc(F)c(C(=O)OCC(=O)NC(=O)NC)c1N ZINC000741040111 667757750 /nfs/dbraw/zinc/75/77/50/667757750.db2.gz DCYNSTPQWLVNTL-UHFFFAOYSA-N 0 0 313.285 0.419 10 0 DCAERN CC(=O)NC1(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CCCCC1 ZINC000887019762 667838308 /nfs/dbraw/zinc/83/83/08/667838308.db2.gz GQJICBRBVMQFNQ-ZIAGYGMSSA-N 0 0 324.421 0.872 10 0 DCAERN COC(=O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555302 667869790 /nfs/dbraw/zinc/86/97/90/667869790.db2.gz QJSDZFHJZMQXES-UHFFFAOYSA-N 0 0 303.727 0.439 10 0 DCAERN NS(=O)(=O)Nc1cccc(NS(=O)(=O)C2CCC2)c1 ZINC000717729039 667878515 /nfs/dbraw/zinc/87/85/15/667878515.db2.gz GIDFQANBEHCWKL-UHFFFAOYSA-N 0 0 305.381 0.596 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1CCO ZINC000187301112 668254261 /nfs/dbraw/zinc/25/42/61/668254261.db2.gz ZQWZZXCUJCBUGY-JTQLQIEISA-N 0 0 311.313 0.873 10 0 DCAERN CCC(CC)N(CCOC)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126584511 668627873 /nfs/dbraw/zinc/62/78/73/668627873.db2.gz LRMJRHYJAUBSOK-LBPRGKRZSA-N 0 0 320.455 0.427 10 0 DCAERN CN(CC1CCCCC1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126596539 668628535 /nfs/dbraw/zinc/62/85/35/668628535.db2.gz QQVIVHJNCRCGIT-ZDUSSCGKSA-N 0 0 302.440 0.802 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cc(F)c(F)c(F)c1 ZINC000126740558 668653151 /nfs/dbraw/zinc/65/31/51/668653151.db2.gz PYEGRRALGLJCDP-MRVPVSSYSA-N 0 0 322.308 0.819 10 0 DCAERN C[C@@H](O)c1ccn(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000128703299 669277733 /nfs/dbraw/zinc/27/77/33/669277733.db2.gz JIZWRVPDSOTORQ-NWDGAFQWSA-N 0 0 308.382 0.454 10 0 DCAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC000932122135 669321179 /nfs/dbraw/zinc/32/11/79/669321179.db2.gz NRQSZIORUIKQAX-QWHCGFSZSA-N 0 0 318.377 0.716 10 0 DCAERN CC1CCC(N(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000129821983 669568983 /nfs/dbraw/zinc/56/89/83/669568983.db2.gz OFEGRZKRQSYPRZ-OTTFEQOBSA-N 0 0 302.440 0.800 10 0 DCAERN CCC1(CC)[C@H](OC(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1OC ZINC000131122476 669657976 /nfs/dbraw/zinc/65/79/76/669657976.db2.gz DJJHLORFFBHKTM-NWDGAFQWSA-N 0 0 324.377 0.684 10 0 DCAERN CCC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O ZINC000131363159 669665768 /nfs/dbraw/zinc/66/57/68/669665768.db2.gz YEFWINDVWNFETO-OAHLLOKOSA-N 0 0 321.381 0.492 10 0 DCAERN FC(F)(F)c1nnc2n1CCN(CN1CCOC1=S)C2 ZINC000131420989 669666671 /nfs/dbraw/zinc/66/66/71/669666671.db2.gz CDRKVVYENFVQRB-UHFFFAOYSA-N 0 0 307.301 0.687 10 0 DCAERN COCCN(CCC(=O)OC)S(=O)(=O)c1ccccc1N ZINC000132911502 669755864 /nfs/dbraw/zinc/75/58/64/669755864.db2.gz DGRIIGFHOQIKOG-UHFFFAOYSA-N 0 0 316.379 0.469 10 0 DCAERN CCc1ccnc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000794067260 669777379 /nfs/dbraw/zinc/77/73/79/669777379.db2.gz MXOSLWBPINNUFA-HNNXBMFYSA-N 0 0 301.350 0.886 10 0 DCAERN Cc1nc(C(=O)NC[C@H](C)CC2(C)OCCO2)c(=O)[nH]c1C ZINC000156280892 669840179 /nfs/dbraw/zinc/84/01/79/669840179.db2.gz ZHHYDQJBIXAOLF-SECBINFHSA-N 0 0 309.366 0.906 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000158673650 669927877 /nfs/dbraw/zinc/92/78/77/669927877.db2.gz FXMCTBNXLCOACB-CFMSYZGJSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188355610 670004294 /nfs/dbraw/zinc/00/42/94/670004294.db2.gz BXGDGUFAGREODH-MNOVXSKESA-N 0 0 304.394 0.943 10 0 DCAERN C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1nnnn1C1CC1 ZINC000188881148 670060905 /nfs/dbraw/zinc/06/09/05/670060905.db2.gz ZTKSMKBUNBAHIP-SECBINFHSA-N 0 0 323.401 0.625 10 0 DCAERN C[C@H](NC(=O)N1CCN(C2CC2)CC1)c1nnnn1C1CC1 ZINC000188947059 670068556 /nfs/dbraw/zinc/06/85/56/670068556.db2.gz YETCTRQNKIQLKT-JTQLQIEISA-N 0 0 305.386 0.559 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)CN2CCOCC2)n1 ZINC000192426210 670163427 /nfs/dbraw/zinc/16/34/27/670163427.db2.gz GCJCHGKNZORHDV-JTQLQIEISA-N 0 0 312.326 0.689 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cccnc1F ZINC000713889345 670168899 /nfs/dbraw/zinc/16/88/99/670168899.db2.gz HQOSLDAZGRGGGA-UHFFFAOYSA-N 0 0 324.399 0.664 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000713989312 670173003 /nfs/dbraw/zinc/17/30/03/670173003.db2.gz OPQFNDLFMKKKCS-UHFFFAOYSA-N 0 0 308.281 0.655 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713999320 670173264 /nfs/dbraw/zinc/17/32/64/670173264.db2.gz FVHTUNJHAZCLLO-NSHDSACASA-N 0 0 312.391 0.529 10 0 DCAERN Cc1cccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c1F ZINC000714309578 670183793 /nfs/dbraw/zinc/18/37/93/670183793.db2.gz LYMZSJQIOUTERJ-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN COc1cc(OC)nc(NCC[C@@H]2CCCS2(=O)=O)n1 ZINC000714330774 670183926 /nfs/dbraw/zinc/18/39/26/670183926.db2.gz OECOHEDVFRTUQG-VIFPVBQESA-N 0 0 301.368 0.873 10 0 DCAERN Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714309379 670184142 /nfs/dbraw/zinc/18/41/42/670184142.db2.gz KZXGTPXYTPMTRB-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN CCOCCCNC(=S)NCC[C@H]1CCCS1(=O)=O ZINC000714357687 670184763 /nfs/dbraw/zinc/18/47/63/670184763.db2.gz QMXAOCYITQEZBP-LLVKDONJSA-N 0 0 308.469 0.844 10 0 DCAERN Cn1ncc(Br)c1CNC1CC(S(C)(=O)=O)C1 ZINC000716093277 670228229 /nfs/dbraw/zinc/22/82/29/670228229.db2.gz HJJXQDZSNSPLDJ-UHFFFAOYSA-N 0 0 322.228 0.848 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC(C(C)(C)O)CC1 ZINC000716341395 670262528 /nfs/dbraw/zinc/26/25/28/670262528.db2.gz WZRXKUFMGZQEQU-UHFFFAOYSA-N 0 0 309.428 0.461 10 0 DCAERN O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1cccnc1F ZINC000716713496 670270831 /nfs/dbraw/zinc/27/08/31/670270831.db2.gz PWSQYOGKOTWPCZ-SSDOTTSWSA-N 0 0 302.249 0.812 10 0 DCAERN CC(C)(C)OC(=O)N1CC2(C1)CCO[C@@H]2CS(N)(=O)=O ZINC000757214280 670360637 /nfs/dbraw/zinc/36/06/37/670360637.db2.gz WKPJACMAMUEKDK-SECBINFHSA-N 0 0 306.384 0.301 10 0 DCAERN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CNC(=O)C1 ZINC000194780969 670456308 /nfs/dbraw/zinc/45/63/08/670456308.db2.gz RNDOEQWAAPLVIQ-LBPRGKRZSA-N 0 0 301.346 0.566 10 0 DCAERN Cc1cc(C)c(N2CC[C@@H](NC(=O)CNC(N)=O)C2=O)c(C)c1 ZINC000190548166 670457697 /nfs/dbraw/zinc/45/76/97/670457697.db2.gz VVXBVODNQSODQO-GFCCVEGCSA-N 0 0 318.377 0.502 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)C(=O)c1cnn(C)c1 ZINC000195170552 670472200 /nfs/dbraw/zinc/47/22/00/670472200.db2.gz SGRWUDUZIDUVMN-GFCCVEGCSA-N 0 0 303.318 0.461 10 0 DCAERN C[C@@H](C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)c1cccc(O)c1 ZINC000824215484 671423871 /nfs/dbraw/zinc/42/38/71/671423871.db2.gz RRGFEGZKHLXFBG-LERXQTSPSA-N 0 0 302.334 0.532 10 0 DCAERN CNC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000397416251 1158099748 /nfs/dbraw/zinc/09/97/48/1158099748.db2.gz RONJUOOKCOBIPS-UHFFFAOYSA-N 0 0 300.702 0.907 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000456157528 685288937 /nfs/dbraw/zinc/28/89/37/685288937.db2.gz DVOUBWINNWRYBS-LBPRGKRZSA-N 0 0 307.375 0.954 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CCC(O)(CO)CC1)C1CC1 ZINC000717992758 685304395 /nfs/dbraw/zinc/30/43/95/685304395.db2.gz YCAQTBSKRNRDJW-UHFFFAOYSA-N 0 0 305.440 0.962 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@]12C[C@H]1COC2 ZINC000718032026 685304537 /nfs/dbraw/zinc/30/45/37/685304537.db2.gz GRJSRQSMJVYDHU-UFBFGSQYSA-N 0 0 317.388 0.910 10 0 DCAERN O=C(NCc1cnc(Br)s1)[C@H]1CNC(=O)C1 ZINC000718842451 685306798 /nfs/dbraw/zinc/30/67/98/685306798.db2.gz OTNGJVZZRPWANH-RXMQYKEDSA-N 0 0 304.169 0.658 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccc(F)nc2)CCS(=O)(=O)C1 ZINC000720845933 685315586 /nfs/dbraw/zinc/31/55/86/685315586.db2.gz OCBTXONNWIGMSP-GFCCVEGCSA-N 0 0 302.327 0.154 10 0 DCAERN COC(C)(C)[C@@H](C)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000720082833 685311938 /nfs/dbraw/zinc/31/19/38/685311938.db2.gz BWMQZJDFUBTELG-SSDOTTSWSA-N 0 0 306.409 0.939 10 0 DCAERN Cn1cc(CNC(=O)c2cn(C)c(=O)[nH]2)c(Br)n1 ZINC000720113400 685312535 /nfs/dbraw/zinc/31/25/35/685312535.db2.gz CGBJKGWOESOVGT-UHFFFAOYSA-N 0 0 314.143 0.552 10 0 DCAERN CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720480573 685312998 /nfs/dbraw/zinc/31/29/98/685312998.db2.gz DOEIWFHNSTVWDS-MNOVXSKESA-N 0 0 301.412 0.682 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000720485502 685313021 /nfs/dbraw/zinc/31/30/21/685313021.db2.gz VNOJSRLWNKTLHO-MNOVXSKESA-N 0 0 316.452 0.576 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CSC(=O)N2)c(Br)n1 ZINC000720677705 685314601 /nfs/dbraw/zinc/31/46/01/685314601.db2.gz LHSOPJXZUYTWRD-LURJTMIESA-N 0 0 319.184 0.624 10 0 DCAERN CO[C@]1(CNC(=O)c2cnc(Cl)cn2)CCS(=O)(=O)C1 ZINC000720844330 685315289 /nfs/dbraw/zinc/31/52/89/685315289.db2.gz HLJAMZSSZWNLIU-NSHDSACASA-N 0 0 319.770 0.064 10 0 DCAERN CO[C@]1(CNc2cnn(C)c(=O)c2Cl)CCS(=O)(=O)C1 ZINC000721218494 685317852 /nfs/dbraw/zinc/31/78/52/685317852.db2.gz JDSPFMPAMFEBCL-NSHDSACASA-N 0 0 321.786 0.049 10 0 DCAERN CC(C)(O)[C@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000721812872 685318760 /nfs/dbraw/zinc/31/87/60/685318760.db2.gz SMZWRMVFFZYRQH-WDEREUQCSA-N 0 0 304.412 0.030 10 0 DCAERN CC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000722043909 685318962 /nfs/dbraw/zinc/31/89/62/685318962.db2.gz PQSYKCKYYJMXEX-NEPJUHHUSA-N 0 0 302.396 0.238 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1 ZINC000053703556 685061203 /nfs/dbraw/zinc/06/12/03/685061203.db2.gz KLYRCPULGWQLGS-UHFFFAOYSA-N 0 0 318.377 0.549 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)c2ccc(=O)n(C)c2)CC1 ZINC000068187337 685070798 /nfs/dbraw/zinc/07/07/98/685070798.db2.gz STKLQAUQAVTKGS-UHFFFAOYSA-N 0 0 305.378 0.716 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000068187909 685071158 /nfs/dbraw/zinc/07/11/58/685071158.db2.gz PHOMWZRXJQEXHA-UHFFFAOYSA-N 0 0 305.378 0.716 10 0 DCAERN CNC(=O)c1cccc(OC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000088804693 685093090 /nfs/dbraw/zinc/09/30/90/685093090.db2.gz OIUWXXXMEYYBJQ-UHFFFAOYSA-N 0 0 301.302 0.703 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)OCC(=O)N3CCCC3)cnc12 ZINC000091089412 685102961 /nfs/dbraw/zinc/10/29/61/685102961.db2.gz YDMMLVPBEIACCN-UHFFFAOYSA-N 0 0 315.329 0.782 10 0 DCAERN CN(CC1CC(O)C1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000135365978 685121415 /nfs/dbraw/zinc/12/14/15/685121415.db2.gz XZPZFBSINPTACY-UHFFFAOYSA-N 0 0 302.330 0.755 10 0 DCAERN CC(C)(C)OC(=O)NCCSC[C@]1(C)NC(=O)NC1=O ZINC000135776599 685122274 /nfs/dbraw/zinc/12/22/74/685122274.db2.gz TXNRUHRFKDFSCO-LBPRGKRZSA-N 0 0 303.384 0.842 10 0 DCAERN COC(=O)[C@@H](C)CNc1ncc(I)cn1 ZINC000379957994 685235626 /nfs/dbraw/zinc/23/56/26/685235626.db2.gz WBQKPZOVLQSOTN-LURJTMIESA-N 0 0 321.118 0.724 10 0 DCAERN OCCN1CCN(Cc2ncccc2Br)CC1 ZINC000379752156 685236118 /nfs/dbraw/zinc/23/61/18/685236118.db2.gz AOGDZJLZRMKOMD-UHFFFAOYSA-N 0 0 300.200 0.954 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccc(Br)cc2N)C1 ZINC000381968513 1158122705 /nfs/dbraw/zinc/12/27/05/1158122705.db2.gz NKGWGRGZERAZRB-UHFFFAOYSA-N 0 0 312.167 0.849 10 0 DCAERN CCOCc1nc(Cl)cc(NCCCCS(N)(=O)=O)n1 ZINC000384064878 1158187010 /nfs/dbraw/zinc/18/70/10/1158187010.db2.gz ZPXKSJDRMAGHDP-UHFFFAOYSA-N 0 0 322.818 0.569 10 0 DCAERN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)[C@@H](C)O)c1 ZINC000387524626 1158969321 /nfs/dbraw/zinc/96/93/21/1158969321.db2.gz IPJCVYQMQVSPCU-GMSGAONNSA-N 0 0 300.336 0.788 10 0 DCAERN COC(=O)CCCCCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000035179694 1171432015 /nfs/dbraw/zinc/43/20/15/1171432015.db2.gz OLCFRKTXSRNTJJ-LLVKDONJSA-N 0 0 305.396 0.661 10 0 DCAERN COCCNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000040678478 1171496260 /nfs/dbraw/zinc/49/62/60/1171496260.db2.gz VQYOYIUAGZGMHR-UHFFFAOYSA-N 0 0 315.395 0.212 10 0 DCAERN CC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(N)cc1F ZINC000043592875 1171546484 /nfs/dbraw/zinc/54/64/84/1171546484.db2.gz ZZYOQQUNTWOQOG-SECBINFHSA-N 0 0 317.386 0.991 10 0 DCAERN CC(=O)N(C)CC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000046327761 1171606167 /nfs/dbraw/zinc/60/61/67/1171606167.db2.gz WCIXTUAHMVNQHH-UHFFFAOYSA-N 0 0 307.350 0.479 10 0 DCAERN CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)ccn2)cc1 ZINC000050709444 1171736429 /nfs/dbraw/zinc/73/64/29/1171736429.db2.gz KXIOOUOBXJAFCB-UHFFFAOYSA-N 0 0 305.359 0.997 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(N)=O ZINC000068253451 1173786176 /nfs/dbraw/zinc/78/61/76/1173786176.db2.gz YQIJVMNTGKRASK-BONVTDFDSA-N 0 0 316.361 0.413 10 0 DCAERN CNC(=O)NCC(=O)NCCNc1ncccc1C(F)(F)F ZINC000089567609 1175331748 /nfs/dbraw/zinc/33/17/48/1175331748.db2.gz IYMMEOISAOKWCQ-UHFFFAOYSA-N 0 0 319.287 0.558 10 0 DCAERN Cc1ncn(CCCS(C)(=O)=O)c(=O)c1Br ZINC000090766587 1175433452 /nfs/dbraw/zinc/43/34/52/1175433452.db2.gz JKJMXGZCGWDJFO-UHFFFAOYSA-N 0 0 309.185 0.749 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)NCCCN1CCCC1=O ZINC000127758700 1177318326 /nfs/dbraw/zinc/31/83/26/1177318326.db2.gz NBTRFPXNLRJPCQ-SNVBAGLBSA-N 0 0 311.411 0.424 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000153444317 1180549109 /nfs/dbraw/zinc/54/91/09/1180549109.db2.gz GTBUJJDLGAULRY-LBPRGKRZSA-N 0 0 305.378 0.999 10 0 DCAERN COCCc1noc(CN(C)C(=O)c2nc(C)c(C)[nH]c2=O)n1 ZINC000154356669 1180551841 /nfs/dbraw/zinc/55/18/41/1180551841.db2.gz LDYWWJKZVFAIOU-UHFFFAOYSA-N 0 0 321.337 0.231 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC000176669934 1184215413 /nfs/dbraw/zinc/21/54/13/1184215413.db2.gz DXOHHKLHTLWVEL-PWSUYJOCSA-N 0 0 304.412 0.042 10 0 DCAERN CN[C@H](C(=O)NC[C@H]1COc2ccccc2O1)c1cnn(C)c1 ZINC000262018024 1185160951 /nfs/dbraw/zinc/16/09/51/1185160951.db2.gz COZXUMUQXMEZGP-WFASDCNBSA-N 0 0 316.361 0.637 10 0 DCAERN Cc1ncc(C(=O)NCCNC(=O)c2ccccc2O)c(C)n1 ZINC000180709778 1185175759 /nfs/dbraw/zinc/17/57/59/1185175759.db2.gz YNYTXJDTEGWBNE-UHFFFAOYSA-N 0 0 314.345 0.959 10 0 DCAERN CC[C@@](NC(=O)Cn1nnc2ccccc21)(C(N)=O)C(C)C ZINC000182530536 1185187966 /nfs/dbraw/zinc/18/79/66/1185187966.db2.gz UUBFOLMEYABYEG-HNNXBMFYSA-N 0 0 303.366 0.838 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(C#N)cc1C ZINC000189058718 1187864756 /nfs/dbraw/zinc/86/47/56/1187864756.db2.gz SKRBTYAYUWRHOL-AWEZNQCLSA-N 0 0 322.386 0.639 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192875243 1187962724 /nfs/dbraw/zinc/96/27/24/1187962724.db2.gz JGIYYLSRXPUMDB-UHFFFAOYSA-N 0 0 323.374 0.609 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907082 1190385583 /nfs/dbraw/zinc/38/55/83/1190385583.db2.gz SNVHOVQTQSQBHN-YLVJLNSGSA-N 0 0 318.420 0.169 10 0 DCAERN CC[C@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307910110 1190385863 /nfs/dbraw/zinc/38/58/63/1190385863.db2.gz YPFXGOCIDXBQAE-ZDUSSCGKSA-N 0 0 300.380 0.563 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1Cc2c[nH]nc2C1 ZINC000312315253 1190393717 /nfs/dbraw/zinc/39/37/17/1190393717.db2.gz BHXWFELWVJLUFE-UHFFFAOYSA-N 0 0 314.348 0.357 10 0 DCAERN O=C(c1ccnc(Br)c1)N1C[C@H](O)[C@H](CO)C1 ZINC000316633478 1190414617 /nfs/dbraw/zinc/41/46/17/1190414617.db2.gz DRZXUZGKQPYKRW-IUCAKERBSA-N 0 0 301.140 0.269 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316615225 1190415086 /nfs/dbraw/zinc/41/50/86/1190415086.db2.gz WUDXDRHFOYBZHL-WRWORJQWSA-N 0 0 315.167 0.457 10 0 DCAERN O=C(c1ccc(Br)nc1)N1C[C@H](CO)[C@H](O)C1 ZINC000316745709 1190416628 /nfs/dbraw/zinc/41/66/28/1190416628.db2.gz YJPNUTNSIMFTMG-RKDXNWHRSA-N 0 0 301.140 0.269 10 0 DCAERN O=S(=O)(N[C@@H]1COC[C@@H]1O)c1cnc(Cl)c(Cl)c1 ZINC000323546655 1190446363 /nfs/dbraw/zinc/44/63/63/1190446363.db2.gz RCVJLSUDBGOGQM-SFYZADRCSA-N 0 0 313.162 0.426 10 0 DCAERN Cc1nnc([C@H](C)NS(=O)(=O)c2cnc(N)nc2)s1 ZINC000392005843 1190701365 /nfs/dbraw/zinc/70/13/65/1190701365.db2.gz PIFLZDNQWYSUDT-YFKPBYRVSA-N 0 0 300.369 0.089 10 0 DCAERN O=C(NC/C=C\c1ccccc1)C1=NN(CCO)C(=O)CC1 ZINC000588392194 747204919 /nfs/dbraw/zinc/20/49/19/747204919.db2.gz OHAWDMDKCIDTFR-DAXSKMNVSA-N 0 0 301.346 0.787 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCNC(=O)[C@@H]1C ZINC000588564385 747444793 /nfs/dbraw/zinc/44/47/93/747444793.db2.gz XSLOZFJWBYHDEU-RYUDHWBXSA-N 0 0 319.409 0.425 10 0 DCAERN CCN1CN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1=O ZINC000588588162 747512254 /nfs/dbraw/zinc/51/22/54/747512254.db2.gz GGCARSVNWUEYJW-LLVKDONJSA-N 0 0 305.382 0.336 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1ccc(Cl)cc1N ZINC000224022962 768391325 /nfs/dbraw/zinc/39/13/25/768391325.db2.gz PLFCWHCCUFDTRH-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)c3cn[nH]c3)c2)NC(=O)NC1=O ZINC000170631197 769476927 /nfs/dbraw/zinc/47/69/27/769476927.db2.gz WMTHSKNNXFAASX-OAHLLOKOSA-N 0 0 313.317 0.394 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)NCC3CC3)c2)NC(=O)NC1=O ZINC000171006482 769563310 /nfs/dbraw/zinc/56/33/10/769563310.db2.gz LLNCTZORJVGUAX-INIZCTEOSA-N 0 0 316.361 0.950 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)[C@@H](CC)CO1 ZINC000403800500 774114874 /nfs/dbraw/zinc/11/48/74/774114874.db2.gz FWUSGAOSXMLPBO-VHSXEESVSA-N 0 0 300.384 0.467 10 0 DCAERN COc1c(C)cnc(CNCCS(=O)(=O)N(C)C)c1C ZINC000405455767 774167637 /nfs/dbraw/zinc/16/76/37/774167637.db2.gz SHYKXSOLVLALIR-UHFFFAOYSA-N 0 0 301.412 0.688 10 0 DCAERN CC(=O)N1CCC(CN2C(=O)N[C@]3(CCSC3)C2=O)CC1 ZINC000348370324 945786135 /nfs/dbraw/zinc/78/61/35/945786135.db2.gz CQYJLMNCQFHGNA-AWEZNQCLSA-N 0 0 311.407 0.672 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NCC1(CO)COC1 ZINC000717629178 951599991 /nfs/dbraw/zinc/59/99/91/951599991.db2.gz RKRKMULULSWXEW-UHFFFAOYSA-N 0 0 315.167 0.770 10 0 DCAERN C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694174985 976676667 /nfs/dbraw/zinc/67/66/67/976676667.db2.gz ASVUFUXOQFKCBO-VIFPVBQESA-N 0 0 302.352 0.598 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C3CC3)CC1)CC2 ZINC000105234987 282113275 /nfs/dbraw/zinc/11/32/75/282113275.db2.gz HVRBQWRDYJTLTD-LBPRGKRZSA-N 0 0 304.398 0.391 10 0 DCAERN C[C@]1(NC(=O)Cn2c3ccccc3[nH]c2=O)CCS(=O)(=O)C1 ZINC000078936889 185131197 /nfs/dbraw/zinc/13/11/97/185131197.db2.gz CEYVZJHTRPTWNT-AWEZNQCLSA-N 0 0 323.374 0.023 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000082976445 185210174 /nfs/dbraw/zinc/21/01/74/185210174.db2.gz RDBRZHGRMOOHAJ-GHMZBOCLSA-N 0 0 308.386 0.765 10 0 DCAERN CC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)C(=O)OC ZINC000176182843 529563980 /nfs/dbraw/zinc/56/39/80/529563980.db2.gz DOBRZVSUONPBSH-NSHDSACASA-N 0 0 323.740 0.997 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000176142151 282211851 /nfs/dbraw/zinc/21/18/51/282211851.db2.gz AZYXQZBCXOFEJA-GJZGRUSLSA-N 0 0 321.425 0.696 10 0 DCAERN O=c1ccn(S(=O)(=O)c2cccc3ccccc32)c(=O)[nH]1 ZINC000090659367 185308226 /nfs/dbraw/zinc/30/82/26/185308226.db2.gz FXVXOCVQMYKEEU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/75/08/91/529750891.db2.gz GSOAVAUXGKYUNA-QWRGUYRKSA-N 0 0 320.397 0.027 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788611 529852398 /nfs/dbraw/zinc/85/23/98/529852398.db2.gz UAQCKXJOFBPCQI-AWEZNQCLSA-N 0 0 324.425 0.314 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCCOC[C@H]1CCCO1 ZINC000186847462 529853688 /nfs/dbraw/zinc/85/36/88/529853688.db2.gz OWBLOCQWHROXND-CYBMUJFWSA-N 0 0 300.399 0.986 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000179082804 529918557 /nfs/dbraw/zinc/91/85/57/529918557.db2.gz DSECWCRMLSPVMN-LLVKDONJSA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(C)C ZINC000178587368 529918819 /nfs/dbraw/zinc/91/88/19/529918819.db2.gz KZKSDYAMAWDZEC-CYBMUJFWSA-N 0 0 312.414 0.505 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCc1cccnc1N(C)C)C(C)C ZINC000178441822 529919906 /nfs/dbraw/zinc/91/99/06/529919906.db2.gz VUDDFTZELSHCFT-GFCCVEGCSA-N 0 0 307.398 0.717 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000188905175 529903510 /nfs/dbraw/zinc/90/35/10/529903510.db2.gz HZQVVCVJNUZOQU-QMMMGPOBSA-N 0 0 302.256 0.846 10 0 DCAERN CNC(=O)[C@H]1CN(c2ncnc3cc(F)c(OC)cc32)CCO1 ZINC000302383617 529929091 /nfs/dbraw/zinc/92/90/91/529929091.db2.gz DZJBPEMUERVIQG-CYBMUJFWSA-N 0 0 320.324 0.729 10 0 DCAERN COCCOc1ccc(CC(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000286720031 219128093 /nfs/dbraw/zinc/12/80/93/219128093.db2.gz GILOUMGJTRAXSS-OCCSQVGLSA-N 0 0 324.352 0.679 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000121370065 290741354 /nfs/dbraw/zinc/74/13/54/290741354.db2.gz PIWHTLMUWDWYDD-LLVKDONJSA-N 0 0 322.390 0.599 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000408223179 290741395 /nfs/dbraw/zinc/74/13/95/290741395.db2.gz SURQUYKQBCIYQW-GWCFXTLKSA-N 0 0 306.428 0.229 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 ZINC000108459911 185514430 /nfs/dbraw/zinc/51/44/30/185514430.db2.gz JFBLOOWFCGDVJS-NXEZZACHSA-N 0 0 310.375 0.888 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000407999851 290776427 /nfs/dbraw/zinc/77/64/27/290776427.db2.gz XLVPMSIEYOZOOU-SECBINFHSA-N 0 0 318.424 0.251 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@]2(CCOC2)C1 ZINC000333134844 304772078 /nfs/dbraw/zinc/77/20/78/304772078.db2.gz IKPDPCSQMAODCL-ZOBORPQBSA-N 0 0 301.408 0.996 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCOCC1 ZINC000408023032 282524446 /nfs/dbraw/zinc/52/44/46/282524446.db2.gz OLMDQRZDDZDMON-NEPJUHHUSA-N 0 0 306.428 0.889 10 0 DCAERN C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000152596790 290811253 /nfs/dbraw/zinc/81/12/53/290811253.db2.gz FPHXJNUOUMCPDR-JQWIXIFHSA-N 0 0 316.361 0.452 10 0 DCAERN Cc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)[nH]c2c1C(=O)CCC2 ZINC000287039191 219282187 /nfs/dbraw/zinc/28/21/87/219282187.db2.gz VGJFOFIWIRBLPX-SCZZXKLOSA-N 0 0 307.325 0.880 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)C[C@H](C)O1 ZINC000071354320 190962222 /nfs/dbraw/zinc/96/22/22/190962222.db2.gz DLNNBZDWMFXKLP-RYUDHWBXSA-N 0 0 314.407 0.623 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176094439 295798763 /nfs/dbraw/zinc/79/87/63/295798763.db2.gz LIHOUBQOVPHPCC-KCJUWKMLSA-N 0 0 319.287 0.302 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000171489234 186168383 /nfs/dbraw/zinc/16/83/83/186168383.db2.gz WQUREOAEGCFNBW-CYBMUJFWSA-N 0 0 324.402 0.831 10 0 DCAERN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171580801 197945351 /nfs/dbraw/zinc/94/53/51/197945351.db2.gz ZOKKIJVTMPMBSH-NSHDSACASA-N 0 0 309.370 0.966 10 0 DCAERN COc1ccc(Cn2cc(C(=O)NC(C)(C)C(N)=O)cn2)cc1 ZINC000171920455 198007671 /nfs/dbraw/zinc/00/76/71/198007671.db2.gz HGRSAKBFELTVLG-UHFFFAOYSA-N 0 0 316.361 0.934 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000171856914 197996383 /nfs/dbraw/zinc/99/63/83/197996383.db2.gz AZPRQGDWIGSHQN-GFCCVEGCSA-N 0 0 317.324 0.278 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000172258919 198066918 /nfs/dbraw/zinc/06/69/18/198066918.db2.gz QNUZOHAPANYIRG-SECBINFHSA-N 0 0 318.370 0.550 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000172318829 198078922 /nfs/dbraw/zinc/07/89/22/198078922.db2.gz KWCIFCPEFCTHSF-AWEZNQCLSA-N 0 0 322.409 0.789 10 0 DCAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2ccco2)c1 ZINC000172271409 198068862 /nfs/dbraw/zinc/06/88/62/198068862.db2.gz ONUMBTIKPHNHRF-UHFFFAOYSA-N 0 0 305.338 0.514 10 0 DCAERN Cc1nc(CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)no1 ZINC000172314221 198077879 /nfs/dbraw/zinc/07/78/79/198077879.db2.gz QVUDFZDZNHQALE-GFCCVEGCSA-N 0 0 321.381 0.922 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1OCCn1ccnc1)C(N)=O ZINC000172449990 198098616 /nfs/dbraw/zinc/09/86/16/198098616.db2.gz BEJDYFASNIGEDC-LLVKDONJSA-N 0 0 317.349 0.957 10 0 DCAERN C[C@H](NC(=O)CNC(=O)c1ccccn1)C(=O)NC(C)(C)C ZINC000172525361 198110424 /nfs/dbraw/zinc/11/04/24/198110424.db2.gz FNSABVUBTSAOFJ-JTQLQIEISA-N 0 0 306.366 0.231 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCOCC1 ZINC000000052519 180678623 /nfs/dbraw/zinc/67/86/23/180678623.db2.gz ZFLZMLCVLHFBGK-QWRGUYRKSA-N 0 0 300.355 0.216 10 0 DCAERN NC(=O)c1cccnc1N1CCC2(C[NH2+][C@@H](C(=O)[O-])C2)CC1 ZINC000072422076 191159080 /nfs/dbraw/zinc/15/90/80/191159080.db2.gz UAVJAELZKKGUAJ-LLVKDONJSA-N 0 0 304.350 0.214 10 0 DCAERN O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CSC(=O)N1 ZINC000172799195 198150909 /nfs/dbraw/zinc/15/09/09/198150909.db2.gz FIASYTOKLZAACJ-BIBXISHDSA-N 0 0 312.416 0.877 10 0 DCAERN C[C@@H](NC(=O)NCC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000173366704 198207222 /nfs/dbraw/zinc/20/72/22/198207222.db2.gz SGCUZAJDUFQXIO-SSDOTTSWSA-N 0 0 307.322 0.959 10 0 DCAERN COCc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000173407388 198211659 /nfs/dbraw/zinc/21/16/59/198211659.db2.gz LUHLWBZSSLSAKL-RISCZKNCSA-N 0 0 309.366 0.614 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000173650989 198236649 /nfs/dbraw/zinc/23/66/49/198236649.db2.gz HHTDGAKGDWHNEX-HNNXBMFYSA-N 0 0 303.318 0.428 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C(N)=O)n1nnc(-c2ccccc2)n1 ZINC000173742219 198246543 /nfs/dbraw/zinc/24/65/43/198246543.db2.gz WXKXWSQRFGUKTD-SECBINFHSA-N 0 0 302.338 0.281 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)c1cccnc1 ZINC000173951979 198271674 /nfs/dbraw/zinc/27/16/74/198271674.db2.gz XFIAJAKJAZQIFR-LBPRGKRZSA-N 0 0 313.423 0.973 10 0 DCAERN CCC(CO)(CO)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000182072943 199383003 /nfs/dbraw/zinc/38/30/03/199383003.db2.gz YYJZPGVQVLLPHV-UHFFFAOYSA-N 0 0 306.322 0.992 10 0 DCAERN CCc1cnc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000174202699 198305808 /nfs/dbraw/zinc/30/58/08/198305808.db2.gz MBRBLLYGBNUWCH-MRVPVSSYSA-N 0 0 318.424 0.861 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CSC(=O)N3)C2)no1 ZINC000174607409 198358546 /nfs/dbraw/zinc/35/85/46/198358546.db2.gz MYPFAKAXTHNJGC-NXEZZACHSA-N 0 0 310.379 0.984 10 0 DCAERN Cc1cnn(CCNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1 ZINC000174962425 198407465 /nfs/dbraw/zinc/40/74/65/198407465.db2.gz DMHBRPRLFASPLJ-UHFFFAOYSA-N 0 0 318.381 0.828 10 0 DCAERN COC[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999462 198412989 /nfs/dbraw/zinc/41/29/89/198412989.db2.gz GUWLADLXGMPMMK-PWSUYJOCSA-N 0 0 308.382 0.623 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1nccs1 ZINC000175069707 198423808 /nfs/dbraw/zinc/42/38/08/198423808.db2.gz NWSUXRMHTOTBBM-SNVBAGLBSA-N 0 0 310.423 0.700 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)NCc1ccnn1C ZINC000175850169 198516065 /nfs/dbraw/zinc/51/60/65/198516065.db2.gz IYXWHGKNYCAHOC-UHFFFAOYSA-N 0 0 303.322 0.387 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000283936599 283027872 /nfs/dbraw/zinc/02/78/72/283027872.db2.gz FLKBRMANVVIJRD-STQMWFEESA-N 0 0 304.346 0.960 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000182732587 199482170 /nfs/dbraw/zinc/48/21/70/199482170.db2.gz GUAFUXKGHFWVDV-BDAKNGLRSA-N 0 0 319.287 0.242 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)N2CC(CO)C2)C(=O)N1c1ccccc1 ZINC000189321923 291071465 /nfs/dbraw/zinc/07/14/65/291071465.db2.gz XVTMUYZDFGPHJN-SMDDNHRTSA-N 0 0 303.362 0.814 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)cc1 ZINC000005184120 181214311 /nfs/dbraw/zinc/21/43/11/181214311.db2.gz CWMOHSKKKSUDNY-UHFFFAOYSA-N 0 0 307.325 0.893 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)CN1CC(=O)NC1=O ZINC000078646484 191903867 /nfs/dbraw/zinc/90/38/67/191903867.db2.gz TXJLNNRZNRMENR-UHFFFAOYSA-N 0 0 304.350 0.415 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000177797849 198779256 /nfs/dbraw/zinc/77/92/56/198779256.db2.gz BPRYOBWVHIEXHE-SFYZADRCSA-N 0 0 314.411 0.907 10 0 DCAERN CN1C[C@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1=O ZINC000298315327 283231637 /nfs/dbraw/zinc/23/16/37/283231637.db2.gz TZXGDRXMNVFALP-PWSUYJOCSA-N 0 0 322.386 0.500 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)N[C@H]1CCCC[C@H]1CO ZINC000179252502 199005948 /nfs/dbraw/zinc/00/59/48/199005948.db2.gz QSEVXYDGOIFVTL-ZFWWWQNUSA-N 0 0 320.389 0.849 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000179366779 199022198 /nfs/dbraw/zinc/02/21/98/199022198.db2.gz KLGPLYHDAMEWON-LBPRGKRZSA-N 0 0 317.349 0.653 10 0 DCAERN CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000179446774 199036960 /nfs/dbraw/zinc/03/69/60/199036960.db2.gz CNYWOZBUDIWXMM-GFCCVEGCSA-N 0 0 312.391 0.908 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H](CO)CC(C)(C)C)cn1 ZINC000179461290 199039029 /nfs/dbraw/zinc/03/90/29/199039029.db2.gz ZIZZLTTUSHPFJJ-JTQLQIEISA-N 0 0 311.386 0.548 10 0 DCAERN CC(C)c1nc([C@H]2CCCN2C(=O)Cn2ncn(C)c2=O)no1 ZINC000179523640 199050071 /nfs/dbraw/zinc/05/00/71/199050071.db2.gz PHMKPOPMQHRTNM-SNVBAGLBSA-N 0 0 320.353 0.452 10 0 DCAERN Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179745482 199075104 /nfs/dbraw/zinc/07/51/04/199075104.db2.gz SLUUMELDNLBSLL-HUUCEWRRSA-N 0 0 322.405 0.538 10 0 DCAERN CC(C)c1nnc(CN[C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180077127 199115000 /nfs/dbraw/zinc/11/50/00/199115000.db2.gz VRZQBGWQPFRABZ-AWEZNQCLSA-N 0 0 323.441 0.912 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NCc1ccc(Cl)cn1 ZINC000180448088 199159830 /nfs/dbraw/zinc/15/98/30/199159830.db2.gz HFCUXDHVLYRMIT-UHFFFAOYSA-N 0 0 306.775 0.083 10 0 DCAERN CCC[C@H]1C[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000180667515 199193594 /nfs/dbraw/zinc/19/35/94/199193594.db2.gz PZXUHKRBKRYGSM-MNOVXSKESA-N 0 0 309.366 0.618 10 0 DCAERN COc1ccc(OCc2cc(=O)n(C)c(=O)n2C)cc1C(C)=O ZINC000180709447 199199855 /nfs/dbraw/zinc/19/98/55/199199855.db2.gz WPMQTILPZJQSAL-UHFFFAOYSA-N 0 0 318.329 0.874 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000180722018 199202046 /nfs/dbraw/zinc/20/20/46/199202046.db2.gz SMKYNODAVUSOII-BONVTDFDSA-N 0 0 318.373 0.860 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180796091 199210220 /nfs/dbraw/zinc/21/02/20/199210220.db2.gz IDJLOHLYDMEIBS-MNOVXSKESA-N 0 0 316.427 0.946 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181112108 199253754 /nfs/dbraw/zinc/25/37/54/199253754.db2.gz WPRNRAMOGPDEEN-GTNSWQLSSA-N 0 0 317.389 0.597 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2(CO)CCOCC2)C1 ZINC000129421494 236968466 /nfs/dbraw/zinc/96/84/66/236968466.db2.gz UXSTZHMNJCQXKW-GFCCVEGCSA-N 0 0 306.428 0.342 10 0 DCAERN NC(=O)NC1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000156547929 237051736 /nfs/dbraw/zinc/05/17/36/237051736.db2.gz XARVEAQKLHYRSI-SNVBAGLBSA-N 0 0 322.331 0.672 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@H](C)[C@@H]3C)nc2n1 ZINC000166067498 237120734 /nfs/dbraw/zinc/12/07/34/237120734.db2.gz OZSFWHIFUCCSEX-NWDGAFQWSA-N 0 0 303.366 0.919 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@H](C)[C@H]3C)nc2n1 ZINC000166067735 237119958 /nfs/dbraw/zinc/11/99/58/237119958.db2.gz OZSFWHIFUCCSEX-VXGBXAGGSA-N 0 0 303.366 0.919 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000167684159 237127279 /nfs/dbraw/zinc/12/72/79/237127279.db2.gz APSNEKABSXESOM-CHWSQXEVSA-N 0 0 313.423 0.876 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCS[C@H](C(C)C)C1 ZINC000176967672 237205371 /nfs/dbraw/zinc/20/53/71/237205371.db2.gz KFXCLUPTGABRNL-NSHDSACASA-N 0 0 308.469 0.868 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@H](OCCO)C1 ZINC000178640462 237233979 /nfs/dbraw/zinc/23/39/79/237233979.db2.gz FXHQEEWSWCJQJM-LBPRGKRZSA-N 0 0 319.361 0.330 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCO[C@@]2(CCOC2)C1 ZINC000184485126 237287238 /nfs/dbraw/zinc/28/72/38/237287238.db2.gz WYCNRFXTBUAUDL-WFASDCNBSA-N 0 0 306.366 0.468 10 0 DCAERN COCCn1nc(C(=O)NC[C@H]2CCC(C)(C)O2)ccc1=O ZINC000187327817 200095661 /nfs/dbraw/zinc/09/56/61/200095661.db2.gz DHQIHHNCSUEDLV-LLVKDONJSA-N 0 0 309.366 0.577 10 0 DCAERN COCCn1nc(C(=O)NC[C@@H]2CCC(C)(C)O2)ccc1=O ZINC000187327835 200095921 /nfs/dbraw/zinc/09/59/21/200095921.db2.gz DHQIHHNCSUEDLV-NSHDSACASA-N 0 0 309.366 0.577 10 0 DCAERN C[C@@H]1CN(CC(=O)NCCOc2ccccc2)CCN1CCO ZINC000187675171 237354752 /nfs/dbraw/zinc/35/47/52/237354752.db2.gz LPRCKZWWWAESPR-OAHLLOKOSA-N 0 0 321.421 0.180 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)[nH]1 ZINC000188398645 237371287 /nfs/dbraw/zinc/37/12/87/237371287.db2.gz WWUXAXIZIUHHND-NSHDSACASA-N 0 0 319.369 0.673 10 0 DCAERN O=C(N[C@@H](CCO)c1ccco1)c1cc2c(=O)[nH]cnc2cn1 ZINC000188264388 237372177 /nfs/dbraw/zinc/37/21/77/237372177.db2.gz MMBFEIWPOUOBTH-JTQLQIEISA-N 0 0 314.301 0.765 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000187934737 200179122 /nfs/dbraw/zinc/17/91/22/200179122.db2.gz SWZIPJCOOFKDLA-STQMWFEESA-N 0 0 306.362 0.333 10 0 DCAERN COCCn1ccc(NC(=O)N2CCN(CCO)[C@H](C)C2)n1 ZINC000188829075 237379862 /nfs/dbraw/zinc/37/98/62/237379862.db2.gz CWDKDPFIXFERKW-GFCCVEGCSA-N 0 0 311.386 0.060 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000190011304 237419799 /nfs/dbraw/zinc/41/97/99/237419799.db2.gz DSZZIRDJSNVCAR-VXGBXAGGSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@]1(C(=O)N2CCO[C@@H](c3nccs3)C2)CCC(=O)NC1 ZINC000281096689 216076349 /nfs/dbraw/zinc/07/63/49/216076349.db2.gz ADUVXSNMBIFAFC-QMTHXVAHSA-N 0 0 309.391 0.959 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cn2ccnc2s1 ZINC000188472427 200253254 /nfs/dbraw/zinc/25/32/54/200253254.db2.gz SEMGZOYANHSAJE-MRVPVSSYSA-N 0 0 310.404 0.999 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153611854 291207715 /nfs/dbraw/zinc/20/77/15/291207715.db2.gz PIEUCCZOWXRLCA-LLVKDONJSA-N 0 0 301.350 0.923 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCN1CCO ZINC000188730880 200295816 /nfs/dbraw/zinc/29/58/16/200295816.db2.gz IBZSGBQDHAVETN-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN COCCc1cc(NC(=O)[C@@H](C)N2CCSCC2)n(C)n1 ZINC000153972069 291209860 /nfs/dbraw/zinc/20/98/60/291209860.db2.gz NTGJGQMTYBYVKV-LLVKDONJSA-N 0 0 312.439 0.985 10 0 DCAERN C[C@@H](NC(=O)CSCC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000154023242 291210299 /nfs/dbraw/zinc/21/02/99/291210299.db2.gz QHHZWIGBNDTIOJ-SNVBAGLBSA-N 0 0 319.390 0.663 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1nc2ccccc2s1 ZINC000154129237 291210750 /nfs/dbraw/zinc/21/07/50/291210750.db2.gz BIXHGJRJAOEOQB-LLVKDONJSA-N 0 0 321.402 0.719 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2ccc(C(N)=O)o2)cn1 ZINC000154406315 291213734 /nfs/dbraw/zinc/21/37/34/291213734.db2.gz JOLXRFCFCYGWFS-UHFFFAOYSA-N 0 0 304.310 0.556 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cccn1 ZINC000157042837 291226956 /nfs/dbraw/zinc/22/69/56/291226956.db2.gz NAWOETKERVNMQV-LBPRGKRZSA-N 0 0 311.345 0.798 10 0 DCAERN O=c1[nH]c2ccccc2c(=O)n1CC1CCS(=O)(=O)CC1 ZINC000157499252 291228499 /nfs/dbraw/zinc/22/84/99/291228499.db2.gz WKLALOYRODVDDE-UHFFFAOYSA-N 0 0 308.359 0.515 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(F)cc2cccnc21 ZINC000159094675 291233983 /nfs/dbraw/zinc/23/39/83/291233983.db2.gz FUZBSUUOZULODP-LLVKDONJSA-N 0 0 301.277 0.909 10 0 DCAERN CCCN(CC(=O)NC)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162141528 291243431 /nfs/dbraw/zinc/24/34/31/291243431.db2.gz OEOCTMGKZRVCKG-GFCCVEGCSA-N 0 0 308.378 0.931 10 0 DCAERN COC[C@@H](O)CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000161587569 291242282 /nfs/dbraw/zinc/24/22/82/291242282.db2.gz NFZGTSOIXKCYPG-GXTWGEPZSA-N 0 0 302.415 0.687 10 0 DCAERN COCCN(CC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000161609099 291242342 /nfs/dbraw/zinc/24/23/42/291242342.db2.gz CBJBQFFIVQZBAV-NSHDSACASA-N 0 0 306.428 0.037 10 0 DCAERN C[C@@H](CN1CCN(c2nccs2)CC1)CS(C)(=O)=O ZINC000162665187 291244635 /nfs/dbraw/zinc/24/46/35/291244635.db2.gz QOVPSDSASLFIIU-NSHDSACASA-N 0 0 303.453 0.946 10 0 DCAERN O=C(Nc1cccnc1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275638984 238309321 /nfs/dbraw/zinc/30/93/21/238309321.db2.gz KCBLPIQSWVELIJ-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN COCCCNC(=O)CN(C)Cc1nsc(N(C)C)n1 ZINC000163743556 291246868 /nfs/dbraw/zinc/24/68/68/291246868.db2.gz SURDMDRMYPOQGG-UHFFFAOYSA-N 0 0 301.416 0.189 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Br)c[nH]2)C1 ZINC000310544181 291251799 /nfs/dbraw/zinc/25/17/99/291251799.db2.gz UIBBHKVCCITGGL-IUCAKERBSA-N 0 0 303.156 0.999 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000281485695 216333449 /nfs/dbraw/zinc/33/34/49/216333449.db2.gz JFIPHSZUCICDNW-CHWSQXEVSA-N 0 0 319.409 0.801 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CCC1=O ZINC000281525016 216361214 /nfs/dbraw/zinc/36/12/14/216361214.db2.gz IQUOKQJIPDRZRS-LBPRGKRZSA-N 0 0 303.362 0.969 10 0 DCAERN CNc1nc(N[C@@H]2CCS(=O)(=O)C2)ncc1Br ZINC000130809190 283700758 /nfs/dbraw/zinc/70/07/58/283700758.db2.gz FARKGBFWRBBEQD-ZCFIWIBFSA-N 0 0 321.200 0.880 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000153558758 291297535 /nfs/dbraw/zinc/29/75/35/291297535.db2.gz DYWAXQLFOVHSPO-LSDHHAIUSA-N 0 0 305.378 0.702 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000341623001 291345611 /nfs/dbraw/zinc/34/56/11/291345611.db2.gz KTAPHWABEQBOFF-IJLUTSLNSA-N 0 0 305.396 0.817 10 0 DCAERN CN(CC1CC(O)C1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000091489232 193063260 /nfs/dbraw/zinc/06/32/60/193063260.db2.gz YNKYXICCXGVGBT-UHFFFAOYSA-N 0 0 312.391 0.901 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](C)CCO)c1 ZINC000493854071 241169492 /nfs/dbraw/zinc/16/94/92/241169492.db2.gz ZOAKKCVBCLFCSU-SNVBAGLBSA-N 0 0 307.350 0.495 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H](OC)C1 ZINC000300178529 291380528 /nfs/dbraw/zinc/38/05/28/291380528.db2.gz ZDGRJRXPRIGNQV-TUAOUCFPSA-N 0 0 305.396 0.769 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@@]12CCOC2 ZINC000568015199 291397802 /nfs/dbraw/zinc/39/78/02/291397802.db2.gz OVLBKDUFWHHDDJ-KKUMJFAQSA-N 0 0 301.383 0.034 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000092228492 193176213 /nfs/dbraw/zinc/17/62/13/193176213.db2.gz ARUFTNFZRBNGSK-NSHDSACASA-N 0 0 315.732 0.604 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000568344807 291423764 /nfs/dbraw/zinc/42/37/64/291423764.db2.gz ZUDMGKQGIGZRHN-NEPJUHHUSA-N 0 0 319.361 0.746 10 0 DCAERN COCCN1CCN(C(=O)NCCc2ccsc2)CC1=O ZINC000093288516 193225623 /nfs/dbraw/zinc/22/56/23/193225623.db2.gz NOLNRAWZQQLTBU-UHFFFAOYSA-N 0 0 311.407 0.791 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(=O)N(C)[C@H](C)C2)cn1 ZINC000282340877 216922997 /nfs/dbraw/zinc/92/29/97/216922997.db2.gz LCTLWCWZUPHLRP-OSAQELSMSA-N 0 0 320.393 0.670 10 0 DCAERN COCCO[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1cccnc1 ZINC000096069838 193519545 /nfs/dbraw/zinc/51/95/45/193519545.db2.gz YVVXAIOFWPGMLR-UONOGXRCSA-N 0 0 314.407 0.690 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)CC[C@H]2CCCO2)C1=O ZINC000569900261 291501332 /nfs/dbraw/zinc/50/13/32/291501332.db2.gz SBCUKJFYIYSQRX-CHWSQXEVSA-N 0 0 320.393 0.991 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1=O ZINC000282451580 217004757 /nfs/dbraw/zinc/00/47/57/217004757.db2.gz HIUQGZRICUEUPQ-XBFCOCLRSA-N 0 0 306.337 0.938 10 0 DCAERN O=S(=O)(N1CCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000264756120 204130492 /nfs/dbraw/zinc/13/04/92/204130492.db2.gz NSHGVNGRDVNBID-SNVBAGLBSA-N 0 0 303.409 0.857 10 0 DCAERN CC1(CNC(=O)CNS(=O)(=O)c2cccs2)COC1 ZINC000264926463 204274762 /nfs/dbraw/zinc/27/47/62/204274762.db2.gz VOECAMUGBNQENH-UHFFFAOYSA-N 0 0 304.393 0.179 10 0 DCAERN Cc1c(C(=O)NC2(CO)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000571904319 291539136 /nfs/dbraw/zinc/53/91/36/291539136.db2.gz WOXTUAYNTMRLCA-UHFFFAOYSA-N 0 0 319.386 0.967 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC(=O)NC1 ZINC000282773012 217241010 /nfs/dbraw/zinc/24/10/10/217241010.db2.gz OYSUCIGVNLPUIN-IUODEOHRSA-N 0 0 305.382 0.433 10 0 DCAERN CC(=O)CCN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000015103942 181989296 /nfs/dbraw/zinc/98/92/96/181989296.db2.gz HHRWPRFYHIHWIY-UHFFFAOYSA-N 0 0 315.395 0.577 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)CCO1 ZINC000408403786 284391990 /nfs/dbraw/zinc/39/19/90/284391990.db2.gz CPKQJEWLYGARNL-WDEREUQCSA-N 0 0 323.353 0.005 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000572509987 291572488 /nfs/dbraw/zinc/57/24/88/291572488.db2.gz CPAGEGQPERVJAU-UHFFFAOYSA-N 0 0 303.318 0.938 10 0 DCAERN O=S(=O)(CCCO)N1CCN(c2ccc(F)cc2)CC1 ZINC000019780377 182147696 /nfs/dbraw/zinc/14/76/96/182147696.db2.gz GPCDWOQRLDGEHW-UHFFFAOYSA-N 0 0 302.371 0.660 10 0 DCAERN CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019795922 182150803 /nfs/dbraw/zinc/15/08/03/182150803.db2.gz JPDOWGIIPJVNCH-QWRGUYRKSA-N 0 0 323.823 0.499 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373307 182212375 /nfs/dbraw/zinc/21/23/75/182212375.db2.gz YRYCDRDFXDFIIW-LBPRGKRZSA-N 0 0 304.346 0.946 10 0 DCAERN CCc1nnc(SCC(=O)NCc2ccc(OC)cc2)n1N ZINC000020842818 182248687 /nfs/dbraw/zinc/24/86/87/182248687.db2.gz MLVBJHADOFQVJW-UHFFFAOYSA-N 0 0 321.406 0.971 10 0 DCAERN NC(=S)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000021041025 182263265 /nfs/dbraw/zinc/26/32/65/182263265.db2.gz JLJIORJPQCDDSI-UHFFFAOYSA-N 0 0 300.405 0.483 10 0 DCAERN O=C(NCC1(N2CCOCC2)CC1)c1cccc2ncnn21 ZINC000572820296 291590659 /nfs/dbraw/zinc/59/06/59/291590659.db2.gz XWEDHFSZEUSMNV-UHFFFAOYSA-N 0 0 301.350 0.324 10 0 DCAERN CCCCC=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000028256633 182517283 /nfs/dbraw/zinc/51/72/83/182517283.db2.gz BYVOBWMFHFGNQF-NEFWEQRUSA-N 0 0 310.350 0.381 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(C(=O)C3CC3)CC2(C)C)cn1 ZINC000573256252 291620411 /nfs/dbraw/zinc/62/04/11/291620411.db2.gz GTEWQQRLSSRJCC-UHFFFAOYSA-N 0 0 320.393 0.658 10 0 DCAERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC1 ZINC000032215448 182638083 /nfs/dbraw/zinc/63/80/83/182638083.db2.gz WWBVAPUSUJYBAW-ZDUSSCGKSA-N 0 0 321.402 0.982 10 0 DCAERN CC1(C)[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)[C@@H]2CCO[C@H]21 ZINC000573396643 291629728 /nfs/dbraw/zinc/62/97/28/291629728.db2.gz HMYVXKIDQPLKNJ-YNEHKIRRSA-N 0 0 322.405 0.555 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000375557711 291634125 /nfs/dbraw/zinc/63/41/25/291634125.db2.gz NJZONTKBMKYHCE-CZXHOFHRSA-N 0 0 308.378 0.655 10 0 DCAERN NC(=S)c1ccccc1OCCN1CCCS1(=O)=O ZINC000036809277 182844274 /nfs/dbraw/zinc/84/42/74/182844274.db2.gz QSJAAIZRWZOSBM-UHFFFAOYSA-N 0 0 300.405 0.735 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)Nc1cc(C)nn1C ZINC000248873268 291651738 /nfs/dbraw/zinc/65/17/38/291651738.db2.gz VMUMGVZFZYLHKD-XUJVJEKNSA-N 0 0 320.393 0.941 10 0 DCAERN CCOC(=O)Cn1nc(CC(=O)OC)c2ccccc2c1=O ZINC000040384897 183059378 /nfs/dbraw/zinc/05/93/78/183059378.db2.gz ACGRHQKOFDLPRE-UHFFFAOYSA-N 0 0 304.302 0.675 10 0 DCAERN COC(=O)c1ccc(=O)n(CCC(=O)Nc2cccnc2)n1 ZINC000574251571 291682962 /nfs/dbraw/zinc/68/29/62/291682962.db2.gz VLWISOAYMNRBSS-UHFFFAOYSA-N 0 0 302.290 0.454 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)c1ccsc1 ZINC000104357299 194000643 /nfs/dbraw/zinc/00/06/43/194000643.db2.gz VZVIJSDOVZGEGY-NSHDSACASA-N 0 0 309.391 0.605 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000104799308 194042309 /nfs/dbraw/zinc/04/23/09/194042309.db2.gz XHGUDDLWZLNOBH-CQSZACIVSA-N 0 0 309.414 0.520 10 0 DCAERN Cc1nn(C)c(C)c1Cc1nc([C@H]2CN3CCN2CC3)no1 ZINC000273928623 211183622 /nfs/dbraw/zinc/18/36/22/211183622.db2.gz HJWSDXSXCDRKLX-CYBMUJFWSA-N 0 0 302.382 0.683 10 0 DCAERN O=C(NCCCN1CCc2ccccc21)N1CCNC(=O)CC1 ZINC000105128342 194076383 /nfs/dbraw/zinc/07/63/83/194076383.db2.gz DVSCLIMYWYQMHJ-UHFFFAOYSA-N 0 0 316.405 0.971 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc2nccnc21 ZINC000574844658 291719607 /nfs/dbraw/zinc/71/96/07/291719607.db2.gz QTHGYNPXYFWJAP-JTQLQIEISA-N 0 0 305.359 0.937 10 0 DCAERN COCCN1CCN(CC(=O)NCc2ccccc2)C[C@@H]1C ZINC000105832168 194139580 /nfs/dbraw/zinc/13/95/80/194139580.db2.gz XXPZCRFUKJCSOX-HNNXBMFYSA-N 0 0 305.422 0.955 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105853803 194147640 /nfs/dbraw/zinc/14/76/40/194147640.db2.gz YHRUZLIGDDHGSC-LBPRGKRZSA-N 0 0 316.365 0.675 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105855117 194148097 /nfs/dbraw/zinc/14/80/97/194148097.db2.gz CMKQRMJLWVVNDB-VXGBXAGGSA-N 0 0 309.395 0.363 10 0 DCAERN CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897338 194162808 /nfs/dbraw/zinc/16/28/08/194162808.db2.gz SPCWPQUGWBHZST-STQMWFEESA-N 0 0 322.409 0.760 10 0 DCAERN CCn1cnnc1C1CCN([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000105929253 194173195 /nfs/dbraw/zinc/17/31/95/194173195.db2.gz MPUTXJWTVWCYFW-JTQLQIEISA-N 0 0 308.386 0.322 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000106429623 194212851 /nfs/dbraw/zinc/21/28/51/194212851.db2.gz SBDNEYWVBNELFX-KGLIPLIRSA-N 0 0 310.419 0.463 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1ccc(CNC(C)=O)s1 ZINC000106689241 194243511 /nfs/dbraw/zinc/24/35/11/194243511.db2.gz CHJFLRZLKCCCPK-NSHDSACASA-N 0 0 309.391 0.735 10 0 DCAERN CCOCCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000053734062 183910958 /nfs/dbraw/zinc/91/09/58/183910958.db2.gz CPBOHSAYEVLQHF-JTQLQIEISA-N 0 0 300.380 0.938 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110879660 194365729 /nfs/dbraw/zinc/36/57/29/194365729.db2.gz ROIKYPRNAZPMJR-VIFPVBQESA-N 0 0 304.393 0.478 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087168 194390304 /nfs/dbraw/zinc/39/03/04/194390304.db2.gz SKQGQRJZTJTRBK-OAHLLOKOSA-N 0 0 322.409 0.807 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCNC(=O)CC1 ZINC000062098941 184206008 /nfs/dbraw/zinc/20/60/08/184206008.db2.gz MLKSJBJZSBATEA-UHFFFAOYSA-N 0 0 300.156 0.750 10 0 DCAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(O)C2)c1 ZINC000062809564 184253546 /nfs/dbraw/zinc/25/35/46/184253546.db2.gz LOSNFDYEFNTVJL-UHFFFAOYSA-N 0 0 305.739 0.492 10 0 DCAERN CS(=O)(=O)c1ccc(S[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000063131458 184272256 /nfs/dbraw/zinc/27/22/56/184272256.db2.gz YTDMNFSTDIZSLX-GHMZBOCLSA-N 0 0 322.429 0.340 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000065529878 184361014 /nfs/dbraw/zinc/36/10/14/184361014.db2.gz ZJDCGLHJBFPNOI-CMPLNLGQSA-N 0 0 314.349 0.388 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000065529865 184361336 /nfs/dbraw/zinc/36/13/36/184361336.db2.gz ZJDCGLHJBFPNOI-PWSUYJOCSA-N 0 0 314.349 0.388 10 0 DCAERN CN1CCn2nc(C(=O)NCCCNc3cccnc3)cc2C1 ZINC000065498982 184355624 /nfs/dbraw/zinc/35/56/24/184355624.db2.gz HIHBWKARWDUJPJ-UHFFFAOYSA-N 0 0 314.393 0.956 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)NCC3(C)COC3)CCO2)n1 ZINC000112753389 194518903 /nfs/dbraw/zinc/51/89/03/194518903.db2.gz UKDDXVURKFOJBM-CQSZACIVSA-N 0 0 322.409 0.947 10 0 DCAERN COc1ccccc1CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116831594 194774797 /nfs/dbraw/zinc/77/47/97/194774797.db2.gz IGYBOEYTOPEMDT-LBPRGKRZSA-N 0 0 312.391 0.388 10 0 DCAERN CCC(CC)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086431656 252588269 /nfs/dbraw/zinc/58/82/69/252588269.db2.gz QSMROGKTKHTPBO-UHFFFAOYSA-N 0 0 302.338 0.906 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173167026 532970163 /nfs/dbraw/zinc/97/01/63/532970163.db2.gz JRGFWNZSQKKDLC-CYBMUJFWSA-N 0 0 320.455 0.395 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@@H](C)O)ncn1 ZINC000173424812 252595637 /nfs/dbraw/zinc/59/56/37/252595637.db2.gz SXJYZSYGXWJFDH-NEPJUHHUSA-N 0 0 322.413 0.557 10 0 DCAERN CCc1cnc(CCNC(=O)NCCN2C(=O)CCC2=O)s1 ZINC000174157117 252596785 /nfs/dbraw/zinc/59/67/85/252596785.db2.gz BEQBCQAMBJBQLU-UHFFFAOYSA-N 0 0 324.406 0.696 10 0 DCAERN CN1C(=O)CC[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333495251 252730820 /nfs/dbraw/zinc/73/08/20/252730820.db2.gz RLEGPQUMCOKBOJ-RCWTZXSCSA-N 0 0 300.380 0.242 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cnc(OCC2CC2)cn1 ZINC000286101003 218793670 /nfs/dbraw/zinc/79/36/70/218793670.db2.gz MOPUYLOPRXZPMI-NSHDSACASA-N 0 0 316.361 0.759 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338911397 253009023 /nfs/dbraw/zinc/00/90/23/253009023.db2.gz SNLMOWJHFIZGPG-OKILXGFUSA-N 0 0 318.329 0.454 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000338929326 253011404 /nfs/dbraw/zinc/01/14/04/253011404.db2.gz NHBPVDSTOHRCHF-NSHDSACASA-N 0 0 321.381 0.237 10 0 DCAERN COC(=O)[C@H]1CCC[C@H](C(=O)NC2CCS(=O)CC2)C1 ZINC000408200216 291854586 /nfs/dbraw/zinc/85/45/86/291854586.db2.gz ASTZTZUMIVTGJO-BWNONPHSSA-N 0 0 301.408 0.993 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)nc1 ZINC000340665047 253290533 /nfs/dbraw/zinc/29/05/33/253290533.db2.gz AWQWPLAYSQJDOX-UHFFFAOYSA-N 0 0 304.306 0.553 10 0 DCAERN CC[C@@H]1CN(c2ccc(C(=O)NC)nn2)C[C@@H](C)S1(=O)=O ZINC000286469016 219006369 /nfs/dbraw/zinc/00/63/69/219006369.db2.gz PYRRQXQLRRDCSQ-NXEZZACHSA-N 0 0 312.395 0.238 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1N ZINC000343455971 253655914 /nfs/dbraw/zinc/65/59/14/253655914.db2.gz CPTIMMOOPZGAFO-SECBINFHSA-N 0 0 306.409 0.322 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)C1 ZINC000407987276 291881693 /nfs/dbraw/zinc/88/16/93/291881693.db2.gz XLFGGUGPMGHSRT-AXFHLTTASA-N 0 0 311.382 0.685 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2C[C@@H](F)C[C@@H]2C(N)=O)c1 ZINC000346102070 254010431 /nfs/dbraw/zinc/01/04/31/254010431.db2.gz YUFRCYHOWJAWRC-GXTWGEPZSA-N 0 0 323.368 0.388 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(C(N)=O)CC1 ZINC000104379061 220436846 /nfs/dbraw/zinc/43/68/46/220436846.db2.gz QOUXFEUWEHAYOZ-GFCCVEGCSA-N 0 0 310.398 0.391 10 0 DCAERN C[C@H](CNC(=O)CC1(CS(C)(=O)=O)CC1)N1CCOCC1 ZINC000176532894 220451627 /nfs/dbraw/zinc/45/16/27/220451627.db2.gz BCQWIQSHFYMKFC-GFCCVEGCSA-N 0 0 318.439 0.038 10 0 DCAERN COCCOc1cccc(C(=O)N2C[C@H](F)C[C@@H]2C(N)=O)c1 ZINC000347247912 254141695 /nfs/dbraw/zinc/14/16/95/254141695.db2.gz ZPXLKGVIOUCYLD-DGCLKSJQSA-N 0 0 310.325 0.750 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000347634879 254173958 /nfs/dbraw/zinc/17/39/58/254173958.db2.gz KOSOICFHWCXDBE-GJZGRUSLSA-N 0 0 323.437 0.757 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000349961036 254306400 /nfs/dbraw/zinc/30/64/00/254306400.db2.gz BATRPGFKOUUUHS-SSDOTTSWSA-N 0 0 302.274 0.883 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)S(N)(=O)=O ZINC000350616207 254319101 /nfs/dbraw/zinc/31/91/01/254319101.db2.gz OZTNDLZTSGORHI-GZMMTYOYSA-N 0 0 300.405 0.497 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)C1 ZINC000123051799 296397066 /nfs/dbraw/zinc/39/70/66/296397066.db2.gz ORVWQAOENQQZIZ-GHMZBOCLSA-N 0 0 310.441 0.130 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000364066206 296409601 /nfs/dbraw/zinc/40/96/01/296409601.db2.gz YCIRGHDXJZDCMF-CHWSQXEVSA-N 0 0 318.439 0.985 10 0 DCAERN O=C1[C@H]2COCCN2C(=O)N1[C@H]1CCCN(c2ncccn2)C1 ZINC000272369285 296436605 /nfs/dbraw/zinc/43/66/05/296436605.db2.gz ZSVAEHHHXATQQQ-NWDGAFQWSA-N 0 0 317.349 0.108 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)c3cnccn3)CC[C@@H]2S1(=O)=O ZINC000249691151 257107655 /nfs/dbraw/zinc/10/76/55/257107655.db2.gz LEVBNUBDDCFHKF-AAEUAGOBSA-N 0 0 324.406 0.363 10 0 DCAERN Cc1ccc(N2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NC3CC3)C2)nn1 ZINC000247931686 257114051 /nfs/dbraw/zinc/11/40/51/257114051.db2.gz QXZGVECJFHDQCN-RDBSUJKOSA-N 0 0 302.378 0.905 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccoc3C)C[C@H]2N1C(C)=O ZINC000247900578 257115605 /nfs/dbraw/zinc/11/56/05/257115605.db2.gz AQMFWVOVNRQSQE-FPMFFAJLSA-N 0 0 319.361 0.395 10 0 DCAERN O=C([C@@H]1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)N1CCCO1 ZINC000247760767 257118612 /nfs/dbraw/zinc/11/86/12/257118612.db2.gz HGGYCZZBRFVYNO-ZNMIVQPWSA-N 0 0 303.362 0.692 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000247533450 257119753 /nfs/dbraw/zinc/11/97/53/257119753.db2.gz POBXLYNVCLOZTG-NSHDSACASA-N 0 0 312.395 0.011 10 0 DCAERN CCS(=O)(=O)N1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000253493219 257104969 /nfs/dbraw/zinc/10/49/69/257104969.db2.gz SOLKTYBMSJVQSM-NSHDSACASA-N 0 0 313.379 0.439 10 0 DCAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000300240538 296444246 /nfs/dbraw/zinc/44/42/46/296444246.db2.gz OITAQCZCGQTOCD-UTUOFQBUSA-N 0 0 303.428 0.454 10 0 DCAERN COCCN(CC(F)F)C(=O)NCc1cc(C(N)=O)co1 ZINC000188019690 533322042 /nfs/dbraw/zinc/32/20/42/533322042.db2.gz JSEYGTWDSCMTOG-UHFFFAOYSA-N 0 0 305.281 0.802 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCC2CCCC2)C1 ZINC000172056693 533413624 /nfs/dbraw/zinc/41/36/24/533413624.db2.gz JFSMWGVGYYKILR-GFCCVEGCSA-N 0 0 303.428 0.900 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000408356795 533542895 /nfs/dbraw/zinc/54/28/95/533542895.db2.gz GPUMXWOMKVJGLR-RTXFEEFZSA-N 0 0 324.381 0.387 10 0 DCAERN O=C(CN1CCOCC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275550206 130336739 /nfs/dbraw/zinc/33/67/39/130336739.db2.gz GIKFPQZLEPNHQC-GOEBONIOSA-N 0 0 305.378 0.750 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)nc1 ZINC000283855877 131029597 /nfs/dbraw/zinc/02/95/97/131029597.db2.gz HUXOUQFVGXMISK-GFCCVEGCSA-N 0 0 321.381 0.814 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000284222386 131060238 /nfs/dbraw/zinc/06/02/38/131060238.db2.gz CVWVIQGHTDHEII-GJZGRUSLSA-N 0 0 306.410 0.621 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387493 131076081 /nfs/dbraw/zinc/07/60/81/131076081.db2.gz BBFPYFMEKMVTNC-UONOGXRCSA-N 0 0 301.350 0.503 10 0 DCAERN CCOc1ccc(CC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1 ZINC000284618483 131097938 /nfs/dbraw/zinc/09/79/38/131097938.db2.gz OSPADSNNNRVCOC-KBPBESRZSA-N 0 0 306.362 0.729 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000284658696 131101983 /nfs/dbraw/zinc/10/19/83/131101983.db2.gz GUQLXNLSFZPJSM-LBPRGKRZSA-N 0 0 318.782 0.341 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000285143294 131142384 /nfs/dbraw/zinc/14/23/84/131142384.db2.gz STTGNVLZZUUTDF-MNOVXSKESA-N 0 0 300.355 0.890 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000285397562 131164661 /nfs/dbraw/zinc/16/46/61/131164661.db2.gz XPGLRXLYHOSGBD-INIZCTEOSA-N 0 0 319.361 0.045 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2nc3cccnc3n2C)C1 ZINC000285432798 131167464 /nfs/dbraw/zinc/16/74/64/131167464.db2.gz ILGSXVHZWGJABQ-OAHLLOKOSA-N 0 0 317.349 0.280 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)c2n1 ZINC000285698283 131194126 /nfs/dbraw/zinc/19/41/26/131194126.db2.gz IPTJUDAFXNMFOG-KBPBESRZSA-N 0 0 315.377 0.583 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3C[C@H](F)C[C@@H]3CO)no2)c1 ZINC000366684643 131599451 /nfs/dbraw/zinc/59/94/51/131599451.db2.gz SXQDCJLMNQZXEP-GHMZBOCLSA-N 0 0 308.313 0.773 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@@H](O)C(C)(C)C2)c(C2CC2)n1 ZINC000291810885 131601824 /nfs/dbraw/zinc/60/18/24/131601824.db2.gz QYLBORYYGHTSSR-GFCCVEGCSA-N 0 0 320.393 0.855 10 0 DCAERN CC[C@@]1(C)CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000135624188 545806934 /nfs/dbraw/zinc/80/69/34/545806934.db2.gz XSJVFBODXLEUAS-LRDDRELGSA-N 0 0 311.426 0.613 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)c1nc2ccccc2n1C ZINC000120360948 132143953 /nfs/dbraw/zinc/14/39/53/132143953.db2.gz AECROTZJUSJBPV-UHFFFAOYSA-N 0 0 324.406 0.818 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000121281260 132152787 /nfs/dbraw/zinc/15/27/87/132152787.db2.gz PWWXKVMZKDJMSZ-RKDXNWHRSA-N 0 0 312.320 0.717 10 0 DCAERN O=S1(=O)CCN(C[C@H](O)C(F)(F)F)[C@H]2CCCC[C@H]21 ZINC000408232011 304792139 /nfs/dbraw/zinc/79/21/39/304792139.db2.gz LCWYTUCKKAZGCA-AEJSXWLSSA-N 0 0 301.330 0.951 10 0 DCAERN CCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004583329 134462342 /nfs/dbraw/zinc/46/23/42/134462342.db2.gz FDRJSIRXLLNLBH-UHFFFAOYSA-N 0 0 305.382 0.372 10 0 DCAERN CCOc1cc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)ncn1 ZINC000299739646 134741638 /nfs/dbraw/zinc/74/16/38/134741638.db2.gz QYKGHNXRCUONRC-JTQLQIEISA-N 0 0 317.353 0.407 10 0 DCAERN CCNS(=O)(=O)N[C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444274684 285607417 /nfs/dbraw/zinc/60/74/17/285607417.db2.gz DGBWDLLDQMZQSQ-JOYOIKCWSA-N 0 0 308.400 0.177 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000011776883 395686855 /nfs/dbraw/zinc/68/68/55/395686855.db2.gz BYTXUEFTAWULRW-SXDPYWSBSA-N 0 0 305.378 0.792 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000000220905 395680021 /nfs/dbraw/zinc/68/00/21/395680021.db2.gz ZNQJZLMHBURYIW-GFCCVEGCSA-N 0 0 304.412 0.297 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NCC(=O)NCc1ccco1 ZINC000007951890 395683676 /nfs/dbraw/zinc/68/36/76/395683676.db2.gz OPXNRUAEAVPYJY-UHFFFAOYSA-N 0 0 315.329 0.442 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)CSc1ccc2c(c1)CCC2 ZINC000008145552 395684070 /nfs/dbraw/zinc/68/40/70/395684070.db2.gz JWZWSFGHFBIDDS-ZDUSSCGKSA-N 0 0 309.387 0.918 10 0 DCAERN O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1COCCN1 ZINC000088371745 395707356 /nfs/dbraw/zinc/70/73/56/395707356.db2.gz VMTCEYDRGANORE-GFCCVEGCSA-N 0 0 300.305 0.935 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@H]1O ZINC000089429302 395711598 /nfs/dbraw/zinc/71/15/98/395711598.db2.gz HGJBLFHGZLBWFZ-SMDDNHRTSA-N 0 0 301.346 0.626 10 0 DCAERN CCCn1c(=O)c2ccccc2n(CC(=O)NC2CC2)c1=O ZINC000035590416 395720685 /nfs/dbraw/zinc/72/06/85/395720685.db2.gz BHCUYFMWVCZRSA-UHFFFAOYSA-N 0 0 301.346 0.852 10 0 DCAERN C[C@H]1COCCN1Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000026451609 395694368 /nfs/dbraw/zinc/69/43/68/395694368.db2.gz ULQFCNFHWHDSFO-NSHDSACASA-N 0 0 313.361 0.802 10 0 DCAERN C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccncc1 ZINC000027405414 395695036 /nfs/dbraw/zinc/69/50/36/395695036.db2.gz KQOFFNGXOMGLRT-MGPLVRAMSA-N 0 0 316.361 0.979 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000028010972 395695659 /nfs/dbraw/zinc/69/56/59/395695659.db2.gz DQLANGSKYMBNTC-GHMZBOCLSA-N 0 0 301.350 0.969 10 0 DCAERN CS(=O)(=O)c1ccc(NC2CCN(CC(N)=O)CC2)cc1 ZINC000038007302 395730412 /nfs/dbraw/zinc/73/04/12/395730412.db2.gz SLAGMRFSUWYPIE-UHFFFAOYSA-N 0 0 311.407 0.452 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093925392 395739460 /nfs/dbraw/zinc/73/94/60/395739460.db2.gz UOYFOCRLCFHQBI-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN O=c1[nH]c(=O)n(C[C@H]2CCCO2)cc1I ZINC000094206911 395739859 /nfs/dbraw/zinc/73/98/59/395739859.db2.gz PCXVXEJNKKGPJS-ZCFIWIBFSA-N 0 0 322.102 0.320 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000040792130 395734771 /nfs/dbraw/zinc/73/47/71/395734771.db2.gz VPIVWWBZSKRRCL-QWHCGFSZSA-N 0 0 320.455 0.714 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000040634868 395734931 /nfs/dbraw/zinc/73/49/31/395734931.db2.gz SBFRESSGXOFBCL-PHIMTYICSA-N 0 0 304.412 0.294 10 0 DCAERN NC(=O)NCC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000042063405 395742681 /nfs/dbraw/zinc/74/26/81/395742681.db2.gz BQNPJZRAMKONBB-UHFFFAOYSA-N 0 0 305.256 0.912 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3C(N)=O)CC2=O)cc1 ZINC000044646474 395757621 /nfs/dbraw/zinc/75/76/21/395757621.db2.gz XRZDXURWDXKFHT-JSGCOSHPSA-N 0 0 315.373 0.824 10 0 DCAERN CC(=O)N[C@@H]1[C@H](O)[C@H](F)[C@@H](CO)O[C@@H]1OCc1ccccc1 ZINC000106381457 395782681 /nfs/dbraw/zinc/78/26/81/395782681.db2.gz HAJHAJQQMKGKKF-RYPNDVFKSA-N 0 0 313.325 0.124 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000193926387 395783094 /nfs/dbraw/zinc/78/30/94/395783094.db2.gz SUMZGQIGOZFLOR-MNOVXSKESA-N 0 0 314.411 0.016 10 0 DCAERN CCNS(=O)(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000193981523 395784587 /nfs/dbraw/zinc/78/45/87/395784587.db2.gz NJRWKYQZPWYORX-UHFFFAOYSA-N 0 0 303.388 0.169 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCc1cccc(F)c1)c2=O ZINC000045170890 395761947 /nfs/dbraw/zinc/76/19/47/395761947.db2.gz WLNLVPUMUBLSEL-UHFFFAOYSA-N 0 0 315.308 0.586 10 0 DCAERN O=C(CN1CCCS1(=O)=O)Nc1cccc(-c2ncon2)c1 ZINC000101525203 395764686 /nfs/dbraw/zinc/76/46/86/395764686.db2.gz ZSOGHUADBCUPSB-UHFFFAOYSA-N 0 0 322.346 0.711 10 0 DCAERN CN(C)C(=O)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000193569016 395772156 /nfs/dbraw/zinc/77/21/56/395772156.db2.gz OPVUMRHHIHBCNW-UHFFFAOYSA-N 0 0 302.334 0.521 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c(c1)nnn2C ZINC000103738281 395774452 /nfs/dbraw/zinc/77/44/52/395774452.db2.gz SHJVXHHJGMFZCL-UHFFFAOYSA-N 0 0 303.366 0.955 10 0 DCAERN Cn1ncc(C(=O)NC[C@@H]2CN(C)CCO2)c1-n1cccc1 ZINC000194617077 395802580 /nfs/dbraw/zinc/80/25/80/395802580.db2.gz KFEBPJGJEXYYAY-GFCCVEGCSA-N 0 0 303.366 0.271 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000111219427 395803244 /nfs/dbraw/zinc/80/32/44/395803244.db2.gz HNQMFMKHNMIXBI-ZDUSSCGKSA-N 0 0 308.382 0.579 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052004193 395858234 /nfs/dbraw/zinc/85/82/34/395858234.db2.gz XJBUJAZCTABYIT-UTUOFQBUSA-N 0 0 320.411 0.152 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194723388 395805976 /nfs/dbraw/zinc/80/59/76/395805976.db2.gz QWSPCVPJACAASX-CYBMUJFWSA-N 0 0 302.378 0.792 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC(O)CC1 ZINC000048070173 395807129 /nfs/dbraw/zinc/80/71/29/395807129.db2.gz MXWLRVFEQLCEKY-UHFFFAOYSA-N 0 0 306.366 0.907 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194815595 395808579 /nfs/dbraw/zinc/80/85/79/395808579.db2.gz RZMQEALGXZKWPL-GFCCVEGCSA-N 0 0 301.350 0.708 10 0 DCAERN Cn1cc(C(=O)C(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000195162673 395818579 /nfs/dbraw/zinc/81/85/79/395818579.db2.gz BQZWIMILKDJSJA-UHFFFAOYSA-N 0 0 300.318 0.149 10 0 DCAERN CN1CCO[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548674 395819012 /nfs/dbraw/zinc/81/90/12/395819012.db2.gz HLPJAGLFVTTZPK-HOTGVXAUSA-N 0 0 303.406 0.927 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc2c([nH]c1=O)CCCC2 ZINC000112646833 395820063 /nfs/dbraw/zinc/82/00/63/395820063.db2.gz CYYYHKYZDMMXPF-LLVKDONJSA-N 0 0 313.361 0.590 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112652053 395820891 /nfs/dbraw/zinc/82/08/91/395820891.db2.gz LYJHLQVOCQODIU-GFCCVEGCSA-N 0 0 300.318 0.810 10 0 DCAERN CCOCCOCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195300121 395823779 /nfs/dbraw/zinc/82/37/79/395823779.db2.gz VMOIRKHYRIXKPV-ZDUSSCGKSA-N 0 0 322.409 0.983 10 0 DCAERN COC(=O)[C@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1 ZINC000195346377 395825564 /nfs/dbraw/zinc/82/55/64/395825564.db2.gz UZBSSZMWBNLODR-GFCCVEGCSA-N 0 0 301.302 0.633 10 0 DCAERN Cc1csc([C@@H]2CN(Cc3nc(N)nc(N)n3)CCO2)n1 ZINC000195390699 395826217 /nfs/dbraw/zinc/82/62/17/395826217.db2.gz XOAXQUZXNWNNON-QMMMGPOBSA-N 0 0 307.383 0.374 10 0 DCAERN Nc1nc(N)nc(CN2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000195515789 395830545 /nfs/dbraw/zinc/83/05/45/395830545.db2.gz XYCMATGQTPGGHV-JTQLQIEISA-N 0 0 300.370 0.365 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000049976192 395835208 /nfs/dbraw/zinc/83/52/08/395835208.db2.gz CYDLABAQCXVWAC-UHFFFAOYSA-N 0 0 324.469 0.531 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115340 395860171 /nfs/dbraw/zinc/86/01/71/395860171.db2.gz ZMMKWFLMULURMW-LBPRGKRZSA-N 0 0 313.304 0.350 10 0 DCAERN CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@H](C)c1cccnc1 ZINC000115471834 395839923 /nfs/dbraw/zinc/83/99/23/395839923.db2.gz GIEGECCPISBDLK-LLVKDONJSA-N 0 0 304.350 0.885 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844639 395841639 /nfs/dbraw/zinc/84/16/39/395841639.db2.gz QKYGVSLQQPFCBJ-NSHDSACASA-N 0 0 322.384 0.917 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000225476125 395860502 /nfs/dbraw/zinc/86/05/02/395860502.db2.gz QLSKGSWZILREDC-AWEZNQCLSA-N 0 0 308.288 0.725 10 0 DCAERN CC(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000051152713 395846884 /nfs/dbraw/zinc/84/68/84/395846884.db2.gz YLVNSDPIIHVQQE-CABCVRRESA-N 0 0 309.410 0.321 10 0 DCAERN C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833719 395847177 /nfs/dbraw/zinc/84/71/77/395847177.db2.gz JGENDUKCTAGWKF-NEPJUHHUSA-N 0 0 312.391 0.604 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000116836044 395847790 /nfs/dbraw/zinc/84/77/90/395847790.db2.gz PJZIZRHLBPPDPZ-LLVKDONJSA-N 0 0 302.421 0.831 10 0 DCAERN COc1ccccc1OCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890173 395848388 /nfs/dbraw/zinc/84/83/88/395848388.db2.gz PPHRIJVDTOBRNN-LBPRGKRZSA-N 0 0 314.407 0.698 10 0 DCAERN CNC(=O)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116891311 395848649 /nfs/dbraw/zinc/84/86/49/395848649.db2.gz WEYCUBVSXWLRAV-CYBMUJFWSA-N 0 0 311.407 0.170 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000116890313 395849073 /nfs/dbraw/zinc/84/90/73/395849073.db2.gz RNKGKSKWBPSSOL-GWCFXTLKSA-N 0 0 320.361 0.622 10 0 DCAERN CO[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC000221262582 395850392 /nfs/dbraw/zinc/85/03/92/395850392.db2.gz LQLJBECFYBBVQM-WCBMZHEXSA-N 0 0 318.420 0.893 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000117921992 395856682 /nfs/dbraw/zinc/85/66/82/395856682.db2.gz ZOFBUSKDWHFRDX-STQMWFEESA-N 0 0 317.411 0.257 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000270645503 395792980 /nfs/dbraw/zinc/79/29/80/395792980.db2.gz KOPGXJRDDPCHNF-STQMWFEESA-N 0 0 318.377 0.726 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@H]2CCCOC2)cc1 ZINC000194429331 395796573 /nfs/dbraw/zinc/79/65/73/395796573.db2.gz UTWPNIGCVIGKHO-GFCCVEGCSA-N 0 0 306.362 0.968 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000194607391 395801295 /nfs/dbraw/zinc/80/12/95/395801295.db2.gz RLLDEDNEBXJXIP-DZGCQCFKSA-N 0 0 313.442 0.620 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H](CO)c1ccccc1)N1CCOCC1 ZINC000123117645 395892018 /nfs/dbraw/zinc/89/20/18/395892018.db2.gz WILUMYRAHWKCGQ-ZFWWWQNUSA-N 0 0 307.394 0.740 10 0 DCAERN C[C@H](CNC(=O)N[C@@H](CO)c1ccccc1)N1CCOCC1 ZINC000123117877 395892372 /nfs/dbraw/zinc/89/23/72/395892372.db2.gz WILUMYRAHWKCGQ-HIFRSBDPSA-N 0 0 307.394 0.740 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000123360978 395893804 /nfs/dbraw/zinc/89/38/04/395893804.db2.gz GKHHUTCGKMIPPB-MEDUHNTESA-N 0 0 314.345 0.955 10 0 DCAERN CCOC(=O)CN(C)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000123467872 395894158 /nfs/dbraw/zinc/89/41/58/395894158.db2.gz LCXBRZMZIHEYAL-UHFFFAOYSA-N 0 0 306.322 0.863 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@@H]2C1 ZINC000124349817 395900919 /nfs/dbraw/zinc/90/09/19/395900919.db2.gz NLCBFBZPHLFTJS-UPJWGTAASA-N 0 0 321.377 0.795 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@]2(O)CCc3ccccc32)C1 ZINC000125682458 395905033 /nfs/dbraw/zinc/90/50/33/395905033.db2.gz LHDTWHFFJDZQKJ-WMLDXEAASA-N 0 0 319.405 0.450 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000054769608 395905464 /nfs/dbraw/zinc/90/54/64/395905464.db2.gz SAHWRPVMAHSQNK-ZYHUDNBSSA-N 0 0 312.391 0.938 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)sc1C ZINC000126413449 395912428 /nfs/dbraw/zinc/91/24/28/395912428.db2.gz HEGYAPWZASFZLU-NSHDSACASA-N 0 0 308.407 0.545 10 0 DCAERN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3COCCN3)n2)cc1 ZINC000237482505 395913533 /nfs/dbraw/zinc/91/35/33/395913533.db2.gz WVGWEQCCSUFPAJ-GFCCVEGCSA-N 0 0 317.349 0.085 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC)CC(F)F ZINC000273396033 395918530 /nfs/dbraw/zinc/91/85/30/395918530.db2.gz FMPGHWXYSHJGEI-UHFFFAOYSA-N 0 0 311.310 0.862 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCOC1 ZINC000055924488 395923808 /nfs/dbraw/zinc/92/38/08/395923808.db2.gz SLJKYUGIBYBIPE-LLVKDONJSA-N 0 0 317.345 0.233 10 0 DCAERN CCCCOCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000118303692 395862139 /nfs/dbraw/zinc/86/21/39/395862139.db2.gz ZFXIQQCYMVBYIY-UHFFFAOYSA-N 0 0 300.380 0.767 10 0 DCAERN NS(=O)(=O)c1ccc(NNC2CCOCC2)c([N+](=O)[O-])c1 ZINC000226015501 395865256 /nfs/dbraw/zinc/86/52/56/395865256.db2.gz OLHYWPNGZOVCBU-UHFFFAOYSA-N 0 0 316.339 0.338 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271429976 395865382 /nfs/dbraw/zinc/86/53/82/395865382.db2.gz OOIPGCNAUDERFA-WQAKAFBOSA-N 0 0 310.300 0.878 10 0 DCAERN CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000119324203 395869544 /nfs/dbraw/zinc/86/95/44/395869544.db2.gz JBMWCARNPXOCBY-CQSZACIVSA-N 0 0 305.378 0.787 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000053135894 395876929 /nfs/dbraw/zinc/87/69/29/395876929.db2.gz CTVYJWPTMNPJEU-AWEZNQCLSA-N 0 0 312.435 0.710 10 0 DCAERN C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnc([O-])n(C)c1=O ZINC000272252046 395879584 /nfs/dbraw/zinc/87/95/84/395879584.db2.gz ZJSNTJYBNANTJN-SNVBAGLBSA-N 0 0 308.382 0.288 10 0 DCAERN CCCN(CC(=O)NC(N)=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120032328 395880895 /nfs/dbraw/zinc/88/08/95/395880895.db2.gz SLJMSUMYTUMAGK-NSHDSACASA-N 0 0 306.366 0.921 10 0 DCAERN COCCC(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1 ZINC000152010063 395998502 /nfs/dbraw/zinc/99/85/02/395998502.db2.gz YNAKASJXHKLDEE-UHFFFAOYSA-N 0 0 304.354 0.118 10 0 DCAERN COc1ccc2c(CC(=O)NCCS(N)(=O)=O)coc2c1 ZINC000056850565 395934076 /nfs/dbraw/zinc/93/40/76/395934076.db2.gz ZXZUGOCBIDXXFU-UHFFFAOYSA-N 0 0 312.347 0.389 10 0 DCAERN Cc1noc([C@H](C)N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135051917 395937287 /nfs/dbraw/zinc/93/72/87/395937287.db2.gz HATNIDHERVWROR-JTQLQIEISA-N 0 0 303.370 0.629 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135292985 395938886 /nfs/dbraw/zinc/93/88/86/395938886.db2.gz QIYVHGALPGPGTK-CHWSQXEVSA-N 0 0 317.393 0.430 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)n1 ZINC000135315570 395939313 /nfs/dbraw/zinc/93/93/13/395939313.db2.gz CLKYCMKVGCJDQJ-SECBINFHSA-N 0 0 303.322 0.838 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN([C@H](C)CN3CCOCC3)CCO2)n1 ZINC000245983998 395939446 /nfs/dbraw/zinc/93/94/46/395939446.db2.gz HDZBVVHMWVMATN-SJORKVTESA-N 0 0 322.453 0.921 10 0 DCAERN CN1CCN(c2cc(N3CCCSCC3)ncn2)CC1=O ZINC000274332045 395940343 /nfs/dbraw/zinc/94/03/43/395940343.db2.gz GBAZKTMCASILNP-UHFFFAOYSA-N 0 0 307.423 0.698 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C(N)=O)C(C)C ZINC000135449757 395940450 /nfs/dbraw/zinc/94/04/50/395940450.db2.gz VUDHJOYYHGISIP-KOLCDFICSA-N 0 0 308.386 0.485 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441820 395940624 /nfs/dbraw/zinc/94/06/24/395940624.db2.gz KGTRHUSDWMJWNE-AWEZNQCLSA-N 0 0 315.377 0.392 10 0 DCAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCNC(=O)CC1 ZINC000246081197 395941028 /nfs/dbraw/zinc/94/10/28/395941028.db2.gz BZYPNUYJWRXZBI-MRVWCRGKSA-N 0 0 307.394 0.866 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000135526759 395941257 /nfs/dbraw/zinc/94/12/57/395941257.db2.gz FXWRBQVESHHADF-QMMMGPOBSA-N 0 0 300.336 0.019 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCCSCCCO ZINC000135598399 395941295 /nfs/dbraw/zinc/94/12/95/395941295.db2.gz PFXCRGIOCYDBTQ-UHFFFAOYSA-N 0 0 321.402 0.628 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000136051014 395943569 /nfs/dbraw/zinc/94/35/69/395943569.db2.gz GLISVYHATOFVII-LBPRGKRZSA-N 0 0 324.402 0.418 10 0 DCAERN COc1ccccc1N1C[C@H](C(=O)NCC[C@@H](C)O)CC1=O ZINC000136036736 395943837 /nfs/dbraw/zinc/94/38/37/395943837.db2.gz UAZPAACXWLKPKZ-VXGBXAGGSA-N 0 0 306.362 0.935 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246374347 395948153 /nfs/dbraw/zinc/94/81/53/395948153.db2.gz OEXLLHINPWYWIK-LNLATYFQSA-N 0 0 308.284 0.990 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000137084599 395949960 /nfs/dbraw/zinc/94/99/60/395949960.db2.gz NTJPOJFYQMZKFD-NSHDSACASA-N 0 0 320.324 0.963 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H]1CO ZINC000246429814 395950096 /nfs/dbraw/zinc/95/00/96/395950096.db2.gz SXGMEDNRJFEPMR-STQMWFEESA-N 0 0 305.382 0.612 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246467633 395950486 /nfs/dbraw/zinc/95/04/86/395950486.db2.gz AKYNVVQATMVUML-OUCADQQQSA-N 0 0 318.377 0.790 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000246628234 395954424 /nfs/dbraw/zinc/95/44/24/395954424.db2.gz VYMYHGNTYNHNAL-MQYQWHSLSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000248951197 396000130 /nfs/dbraw/zinc/00/01/30/396000130.db2.gz DAXBFRJMHSKSTK-JHJVBQTASA-N 0 0 324.425 0.601 10 0 DCAERN CCCOC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000247096842 395966861 /nfs/dbraw/zinc/96/68/61/395966861.db2.gz XTIWOECUXILUBL-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274688337 395967956 /nfs/dbraw/zinc/96/79/56/395967956.db2.gz UGGADDIAAYBXRS-INIZCTEOSA-N 0 0 316.361 0.978 10 0 DCAERN COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)CC1CC1 ZINC000149449040 395969591 /nfs/dbraw/zinc/96/95/91/395969591.db2.gz ULPXZLYROBWUJJ-GFCCVEGCSA-N 0 0 305.396 0.770 10 0 DCAERN Cc1cc(NC(=O)CN2CCS[C@H]3COCC[C@H]32)n(C)n1 ZINC000247310558 395971498 /nfs/dbraw/zinc/97/14/98/395971498.db2.gz VJQVQQBSOXBFFO-NEPJUHHUSA-N 0 0 310.423 0.873 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247402411 395973603 /nfs/dbraw/zinc/97/36/03/395973603.db2.gz YQJCJEIKKDTHNL-HUUCEWRRSA-N 0 0 324.425 0.515 10 0 DCAERN CCOCCN1CCN(CC(=O)NCc2cccnc2)C[C@H]1C ZINC000247599546 395976524 /nfs/dbraw/zinc/97/65/24/395976524.db2.gz OXSLVKJMAPZQET-OAHLLOKOSA-N 0 0 320.437 0.740 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)N[C@@H]1CCCC[C@@H]1CO ZINC000150988465 395977274 /nfs/dbraw/zinc/97/72/74/395977274.db2.gz RMVIVHAQASFPCG-DGCLKSJQSA-N 0 0 309.366 0.746 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H]3CCCO3)CCO2)[nH]1 ZINC000151104224 395978778 /nfs/dbraw/zinc/97/87/78/395978778.db2.gz HBKXOVKTVBBXMO-MNOVXSKESA-N 0 0 309.370 0.629 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000151104081 395978828 /nfs/dbraw/zinc/97/88/28/395978828.db2.gz HBKXOVKTVBBXMO-QWRGUYRKSA-N 0 0 309.370 0.629 10 0 DCAERN CCn1c2ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc2[nH]c(=O)c1=O ZINC000151167917 395980593 /nfs/dbraw/zinc/98/05/93/395980593.db2.gz DNFZSRSKUVNJHN-VHSXEESVSA-N 0 0 319.361 0.456 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000151520465 395987665 /nfs/dbraw/zinc/98/76/65/395987665.db2.gz DEKSKLPUHYRHKO-QWHCGFSZSA-N 0 0 319.471 0.839 10 0 DCAERN O=C(COc1ccccc1O)N1CCO[C@H](Cn2cccn2)C1 ZINC000151636814 395989830 /nfs/dbraw/zinc/98/98/30/395989830.db2.gz XKBPVWNPKWGNNN-ZDUSSCGKSA-N 0 0 317.345 0.895 10 0 DCAERN CCC[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCOCC2)CCO1 ZINC000248554492 395989938 /nfs/dbraw/zinc/98/99/38/395989938.db2.gz LGPGQDHOVPOUSB-RBSFLKMASA-N 0 0 314.426 0.391 10 0 DCAERN CCOCCCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313460 395992097 /nfs/dbraw/zinc/99/20/97/395992097.db2.gz ADBKDKDFUHRCHI-LBPRGKRZSA-N 0 0 308.382 0.529 10 0 DCAERN Cc1ccn(-c2ccccc2CNC(=O)[C@@H](C)NC(N)=O)n1 ZINC000151960319 395997275 /nfs/dbraw/zinc/99/72/75/395997275.db2.gz WGECEFPHCZNVGV-LLVKDONJSA-N 0 0 301.350 0.854 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248822142 395997604 /nfs/dbraw/zinc/99/76/04/395997604.db2.gz JMKAASVTHNFTBA-QJPTWQEYSA-N 0 0 304.412 0.199 10 0 DCAERN C[C@@H]1OCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H]1C ZINC000252653035 396023535 /nfs/dbraw/zinc/02/35/35/396023535.db2.gz RJJRGDIOJMZJAA-GVXVVHGQSA-N 0 0 321.381 0.344 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)C1=NNC(=O)CC1 ZINC000153760144 396025688 /nfs/dbraw/zinc/02/56/88/396025688.db2.gz XPAUPVBOBJHUDA-SECBINFHSA-N 0 0 305.313 0.182 10 0 DCAERN Cn1cccc1CN1C[C@@H](CO)[C@H](NC(=O)c2cnccn2)C1 ZINC000253406733 396027017 /nfs/dbraw/zinc/02/70/17/396027017.db2.gz JEAWCXVYYFAFFL-SWLSCSKDSA-N 0 0 315.377 0.038 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O ZINC000067622609 396029364 /nfs/dbraw/zinc/02/93/64/396029364.db2.gz HIPWVEOGWUKBGG-ZDUSSCGKSA-N 0 0 305.378 0.708 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000253601174 396031323 /nfs/dbraw/zinc/03/13/23/396031323.db2.gz LEXDBLVKNMTCTJ-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN CCc1cc(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)n(C)n1 ZINC000154197580 396033749 /nfs/dbraw/zinc/03/37/49/396033749.db2.gz LIAXHSDCSJVAMU-SECBINFHSA-N 0 0 300.384 0.633 10 0 DCAERN CN(CCCn1ccnc1)C(=O)CNC(=O)c1cccnc1 ZINC000154780097 396041993 /nfs/dbraw/zinc/04/19/93/396041993.db2.gz OABPINNNBCIFSQ-UHFFFAOYSA-N 0 0 301.350 0.557 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCn1c(=O)oc2ccccc21 ZINC000154797242 396042008 /nfs/dbraw/zinc/04/20/08/396042008.db2.gz IGNWACVHGOOQKX-LBPRGKRZSA-N 0 0 307.350 0.911 10 0 DCAERN O=C(CNc1nn2c(nccc2=O)s1)NCc1ccccc1 ZINC000261372526 396047127 /nfs/dbraw/zinc/04/71/27/396047127.db2.gz OZGQOOGGNFHXMR-UHFFFAOYSA-N 0 0 315.358 0.879 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155642113 396055874 /nfs/dbraw/zinc/05/58/74/396055874.db2.gz VKVUBUKOSHUQCP-NSHDSACASA-N 0 0 324.402 0.947 10 0 DCAERN C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC[S@@]1=O ZINC000277231551 396057037 /nfs/dbraw/zinc/05/70/37/396057037.db2.gz SWAOWZFJLPYFPI-IFMYKAFSSA-N 0 0 324.450 0.785 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1cn2c(cccc2C)n1 ZINC000155777800 396057189 /nfs/dbraw/zinc/05/71/89/396057189.db2.gz BIBZNILYENSADR-AWEZNQCLSA-N 0 0 316.361 0.506 10 0 DCAERN CC(C)(c1nnc(I)o1)S(C)(=O)=O ZINC000157938842 396064544 /nfs/dbraw/zinc/06/45/44/396064544.db2.gz SDSHYWZLRXYRSR-UHFFFAOYSA-N 0 0 316.120 0.954 10 0 DCAERN Cc1cc(C)n2nc(SC[C@H](O)CN3CCOCC3)nc2n1 ZINC000066237648 396003330 /nfs/dbraw/zinc/00/33/30/396003330.db2.gz HUVXEEFHJDJGHP-GFCCVEGCSA-N 0 0 323.422 0.526 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN2CCC[C@]23CCOC3=O)C1 ZINC000249535175 396009144 /nfs/dbraw/zinc/00/91/44/396009144.db2.gz CGOLFTLMVMRDOH-TZMCWYRMSA-N 0 0 316.423 0.440 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H]2CCc3nccn3C2)CCC1=O ZINC000276571438 396010722 /nfs/dbraw/zinc/01/07/22/396010722.db2.gz GWYWYMAOKLEXEW-NEPJUHHUSA-N 0 0 305.382 0.366 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)CNC(=O)c1cccnc1 ZINC000152672722 396014032 /nfs/dbraw/zinc/01/40/32/396014032.db2.gz NGWOZFMTFFZWTD-UHFFFAOYSA-N 0 0 310.317 0.801 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251849639 396017681 /nfs/dbraw/zinc/01/76/81/396017681.db2.gz NJZXPRPOECGBER-GBJTYRQASA-N 0 0 317.389 0.950 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000153032360 396019681 /nfs/dbraw/zinc/01/96/81/396019681.db2.gz IMHXBKNIKISRRD-NSHDSACASA-N 0 0 307.350 0.802 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)[C@@H]1CCOC1=O ZINC000276677521 396020997 /nfs/dbraw/zinc/02/09/97/396020997.db2.gz ZNJDAWQQWHALBT-MELADBBJSA-N 0 0 310.373 0.580 10 0 DCAERN COCCn1nc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)ccc1=O ZINC000163235582 396085889 /nfs/dbraw/zinc/08/58/89/396085889.db2.gz IAOLCILWNIKKQD-GXTWGEPZSA-N 0 0 321.377 0.531 10 0 DCAERN Cn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)[C@H]1CCCO1)C2 ZINC000169765321 396090707 /nfs/dbraw/zinc/09/07/07/396090707.db2.gz VYFOXQKZKLKRAY-CYBMUJFWSA-N 0 0 318.377 0.677 10 0 DCAERN COc1ccc(N2CC[C@H](NS(=O)(=O)C3CC3)C2=O)cc1 ZINC000169793017 396094047 /nfs/dbraw/zinc/09/40/47/396094047.db2.gz LOGHYLODZQACNU-ZDUSSCGKSA-N 0 0 310.375 0.882 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCCc3c2cnn3C)N(C(C)=O)C1 ZINC000277960871 396097700 /nfs/dbraw/zinc/09/77/00/396097700.db2.gz UEACPKSBDCJLFF-CORIIIEPSA-N 0 0 320.393 0.550 10 0 DCAERN O=C(NCCCN1CCOC1=O)c1ccnc(-n2ccnc2)c1 ZINC000170856452 396098787 /nfs/dbraw/zinc/09/87/87/396098787.db2.gz NJZJBYYMIDBPRY-UHFFFAOYSA-N 0 0 315.333 0.839 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C2)no1 ZINC000170895672 396100533 /nfs/dbraw/zinc/10/05/33/396100533.db2.gz HLSRWDWQQFGUOL-ZYHUDNBSSA-N 0 0 323.397 0.819 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)[C@@H](C)N1CCOCC1 ZINC000170918747 396101111 /nfs/dbraw/zinc/10/11/11/396101111.db2.gz LEAYCVUCMXWTOP-VXGBXAGGSA-N 0 0 308.382 0.616 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)[C@H](C)N1CCOCC1 ZINC000170918753 396101733 /nfs/dbraw/zinc/10/17/33/396101733.db2.gz LEAYCVUCMXWTOP-NEPJUHHUSA-N 0 0 308.382 0.616 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)[C@H](C)NC(N)=O)C2)c1 ZINC000171019147 396103965 /nfs/dbraw/zinc/10/39/65/396103965.db2.gz LKYSWPGGUGUUPV-NWDGAFQWSA-N 0 0 320.393 0.695 10 0 DCAERN COC(=O)CCCCCNC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171043430 396104533 /nfs/dbraw/zinc/10/45/33/396104533.db2.gz TZBSOWVQWZSQLH-GFCCVEGCSA-N 0 0 323.397 0.934 10 0 DCAERN NCc1nc(CN2CCCN(C(=O)c3ccccc3)CC2)no1 ZINC000262155907 396105170 /nfs/dbraw/zinc/10/51/70/396105170.db2.gz GKWDVASGCYBPCV-UHFFFAOYSA-N 0 0 315.377 0.876 10 0 DCAERN COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000171058082 396105298 /nfs/dbraw/zinc/10/52/98/396105298.db2.gz NQPYFSNZBKFBJP-GWCFXTLKSA-N 0 0 312.391 0.750 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000171108348 396107369 /nfs/dbraw/zinc/10/73/69/396107369.db2.gz UHHCZQSHNWHSHY-UHFFFAOYSA-N 0 0 313.427 0.575 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000171202097 396111230 /nfs/dbraw/zinc/11/12/30/396111230.db2.gz XIRHDYXDPLSKHC-QWRGUYRKSA-N 0 0 301.306 0.625 10 0 DCAERN COCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171368617 396115321 /nfs/dbraw/zinc/11/53/21/396115321.db2.gz PHGUETLGUYWBLL-AWEZNQCLSA-N 0 0 309.414 0.845 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCNC(=O)CC1 ZINC000171664262 396121679 /nfs/dbraw/zinc/12/16/79/396121679.db2.gz YYNZOELATRKSGW-GFCCVEGCSA-N 0 0 316.361 0.323 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000171809530 396125289 /nfs/dbraw/zinc/12/52/89/396125289.db2.gz OHWHJRNMEXEMBA-LBPRGKRZSA-N 0 0 300.380 0.923 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)CC(C)(C)C)N1CCOCC1 ZINC000172282013 396130581 /nfs/dbraw/zinc/13/05/81/396130581.db2.gz AWYVRBGJVSMIPG-QWHCGFSZSA-N 0 0 301.431 0.803 10 0 DCAERN COc1cccc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1 ZINC000262410383 396137531 /nfs/dbraw/zinc/13/75/31/396137531.db2.gz ZDIHMBRGCNQBEG-CJNGLKHVSA-N 0 0 319.405 0.721 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CCNC[C@@H]1c1cccnc1 ZINC000261874008 396074463 /nfs/dbraw/zinc/07/44/63/396074463.db2.gz SSENKXMPBBPFLK-GXTWGEPZSA-N 0 0 311.407 0.394 10 0 DCAERN CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000069337655 396075268 /nfs/dbraw/zinc/07/52/68/396075268.db2.gz JRRUGLQYGKJMIJ-SYQHCUMBSA-N 0 0 311.426 0.515 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263219411 396206750 /nfs/dbraw/zinc/20/67/50/396206750.db2.gz LPCLWGUMQDYNNG-WDEREUQCSA-N 0 0 300.309 0.317 10 0 DCAERN CC[NH2+]Cc1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000262503464 396148540 /nfs/dbraw/zinc/14/85/40/396148540.db2.gz DYWFCHFTWPQKQF-UHFFFAOYSA-N 0 0 302.334 0.848 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000176068649 396148790 /nfs/dbraw/zinc/14/87/90/396148790.db2.gz PAXMWWQCBWQSSQ-ZYHUDNBSSA-N 0 0 307.354 0.272 10 0 DCAERN CC[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)OC ZINC000176192130 396151490 /nfs/dbraw/zinc/15/14/90/396151490.db2.gz ULPHBROPDIJPDT-LLVKDONJSA-N 0 0 303.318 0.464 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000279151626 396154468 /nfs/dbraw/zinc/15/44/68/396154468.db2.gz CZHXMSNNZOAADS-LBPRGKRZSA-N 0 0 318.160 0.638 10 0 DCAERN Cc1cc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000176523830 396156569 /nfs/dbraw/zinc/15/65/69/396156569.db2.gz BNVYSMLJEYUBPR-UHFFFAOYSA-N 0 0 301.368 0.702 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CCCOC1 ZINC000176507277 396156707 /nfs/dbraw/zinc/15/67/07/396156707.db2.gz FSABIUSVTLVJAY-NSHDSACASA-N 0 0 304.350 0.808 10 0 DCAERN CCc1oc(C(=O)OC)cc1Cn1nc(C(N)=O)ccc1=O ZINC000176645983 396158182 /nfs/dbraw/zinc/15/81/82/396158182.db2.gz QBLLOKRBNJPUTB-UHFFFAOYSA-N 0 0 305.290 0.333 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000176905954 396162500 /nfs/dbraw/zinc/16/25/00/396162500.db2.gz PMKAOFUFTHRHGL-UWVGGRQHSA-N 0 0 315.439 0.765 10 0 DCAERN CC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000074413610 396166274 /nfs/dbraw/zinc/16/62/74/396166274.db2.gz HHUCPBRQQMSDTR-OLZOCXBDSA-N 0 0 309.414 0.849 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](CNC(=O)C(C)C)C2)nn1 ZINC000074746177 396171423 /nfs/dbraw/zinc/17/14/23/396171423.db2.gz UKYQRXGZFCHMHJ-LBPRGKRZSA-N 0 0 319.409 0.825 10 0 DCAERN C[C@@H](SC[C@@H](O)CO)C(=O)NCCc1ccc(F)cc1 ZINC000177423361 396174915 /nfs/dbraw/zinc/17/49/15/396174915.db2.gz TYNOOWWDVQJMNF-MFKMUULPSA-N 0 0 301.383 0.959 10 0 DCAERN CC(C)c1nnc(CN2CCN(c3cnn(C)c3)C(=O)C2)n1C ZINC000177453903 396176084 /nfs/dbraw/zinc/17/60/84/396176084.db2.gz RWKXHQYPAALZDZ-UHFFFAOYSA-N 0 0 317.397 0.521 10 0 DCAERN Cc1cccc(-c2ccc(C(=O)N3CCNC(=O)C3)c(=O)[nH]2)c1 ZINC000075117783 396176285 /nfs/dbraw/zinc/17/62/85/396176285.db2.gz ZOBBZJWTHVOCLL-UHFFFAOYSA-N 0 0 311.341 0.922 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1C[C@@H](C)O ZINC000177616643 396179543 /nfs/dbraw/zinc/17/95/43/396179543.db2.gz CBURVZSBNNSVSU-TZMCWYRMSA-N 0 0 320.393 0.324 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626349 396180332 /nfs/dbraw/zinc/18/03/32/396180332.db2.gz DQSMRACQTSYUFU-VIFPVBQESA-N 0 0 303.297 0.487 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000177626797 396180404 /nfs/dbraw/zinc/18/04/04/396180404.db2.gz VXZIDCJKCDPKEG-LBPRGKRZSA-N 0 0 313.361 0.965 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)c12 ZINC000279581466 396184936 /nfs/dbraw/zinc/18/49/36/396184936.db2.gz SOHAXARDOWHAGF-INIZCTEOSA-N 0 0 313.361 0.927 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000262942842 396193279 /nfs/dbraw/zinc/19/32/79/396193279.db2.gz IYCWUTMSYLRXOM-NEPJUHHUSA-N 0 0 300.305 0.842 10 0 DCAERN NC(=O)CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178473746 396196706 /nfs/dbraw/zinc/19/67/06/396196706.db2.gz BRMNCXPETHLZEZ-LURJTMIESA-N 0 0 304.272 0.525 10 0 DCAERN O=C(CNC(=O)[C@@H]1CC(F)(F)CN1)Nc1ccc(F)cc1 ZINC000263055585 396200014 /nfs/dbraw/zinc/20/00/14/396200014.db2.gz UXDBYJUOZXNWQK-JTQLQIEISA-N 0 0 301.268 0.878 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2cc(F)cc(F)c2)n1 ZINC000077834495 396235319 /nfs/dbraw/zinc/23/53/19/396235319.db2.gz ZWVHDYBKBAUIKC-UHFFFAOYSA-N 0 0 310.260 0.954 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccccn2)cn1C ZINC000180968887 396236282 /nfs/dbraw/zinc/23/62/82/396236282.db2.gz IKSGWECBRKEIRI-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN C[C@H](CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000184011367 396281290 /nfs/dbraw/zinc/28/12/90/396281290.db2.gz ZPNIYJBTACWUTQ-NEPJUHHUSA-N 0 0 324.450 0.902 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000181503506 396239926 /nfs/dbraw/zinc/23/99/26/396239926.db2.gz MOENNRPDKCIYIX-JTQLQIEISA-N 0 0 303.428 0.924 10 0 DCAERN CCCNC(=O)CNC(=O)c1cnc2c(cnn2C)c1OC ZINC000181820941 396243419 /nfs/dbraw/zinc/24/34/19/396243419.db2.gz SWRSTBZWDIZNTK-UHFFFAOYSA-N 0 0 305.338 0.233 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000181970231 396244941 /nfs/dbraw/zinc/24/49/41/396244941.db2.gz UIHOAWFOSMJWJS-OLZOCXBDSA-N 0 0 301.456 0.980 10 0 DCAERN Cc1nc(C(=O)NCc2nnc(C3CCC3)n2C)c(=O)[nH]c1C ZINC000182094166 396246266 /nfs/dbraw/zinc/24/62/66/396246266.db2.gz UHFIHLAOMVCDBO-UHFFFAOYSA-N 0 0 316.365 0.713 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@H](C)C[S@@](C)=O ZINC000182117863 396246660 /nfs/dbraw/zinc/24/66/60/396246660.db2.gz WYRHVVFDRXOGEU-XUSGNXJCSA-N 0 0 310.419 0.950 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000182231449 396247933 /nfs/dbraw/zinc/24/79/33/396247933.db2.gz VKUDBCFZLBHPSO-ZDUSSCGKSA-N 0 0 321.425 0.876 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H](CO)c1ccccc1 ZINC000182469127 396250577 /nfs/dbraw/zinc/25/05/77/396250577.db2.gz WZQHTRXEMOUUTJ-AWEZNQCLSA-N 0 0 303.366 0.744 10 0 DCAERN CCCn1nnnc1CN1CCO[C@@H](c2nnc(C(C)C)[nH]2)C1 ZINC000078892994 396257010 /nfs/dbraw/zinc/25/70/10/396257010.db2.gz DOBDMYJWXMOFAX-LLVKDONJSA-N 0 0 320.401 0.898 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000264148618 396257881 /nfs/dbraw/zinc/25/78/81/396257881.db2.gz GOJMRWKNWDNOJS-CQSZACIVSA-N 0 0 315.373 0.839 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000079048961 396260290 /nfs/dbraw/zinc/26/02/90/396260290.db2.gz DOEBJLQPGJAZDI-QWRGUYRKSA-N 0 0 318.381 0.457 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183093713 396260456 /nfs/dbraw/zinc/26/04/56/396260456.db2.gz QQLSNBQQKANTFG-GXFFZTMASA-N 0 0 304.350 0.218 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H](C)C[S@@](C)=O)c1 ZINC000183184235 396264993 /nfs/dbraw/zinc/26/49/93/396264993.db2.gz JZPWNUVABMNDHI-XTZNXHDOSA-N 0 0 305.421 0.882 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000080541479 396282620 /nfs/dbraw/zinc/28/26/20/396282620.db2.gz UTNUHVKUBKGOLO-BDAKNGLRSA-N 0 0 316.354 0.723 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000183591805 396271521 /nfs/dbraw/zinc/27/15/21/396271521.db2.gz DQLPHXMGXZYPPV-WIUDPPPLSA-N 0 0 314.411 0.269 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)CCO1 ZINC000183586340 396272187 /nfs/dbraw/zinc/27/21/87/396272187.db2.gz JEKLBFVDPJNYEQ-KFWWJZLASA-N 0 0 318.373 0.772 10 0 DCAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000079930277 396272333 /nfs/dbraw/zinc/27/23/33/396272333.db2.gz GQYBOUXTDFHQCH-ZDUSSCGKSA-N 0 0 308.382 0.406 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)NCC3(C)CCC3)CC2)C1=O ZINC000183792782 396275431 /nfs/dbraw/zinc/27/54/31/396275431.db2.gz PRMDMAUVMIZCQS-UHFFFAOYSA-N 0 0 308.382 0.902 10 0 DCAERN COc1cc(N2CCN(C(=O)c3cnc(C)cn3)CC2)ncn1 ZINC000183848094 396276610 /nfs/dbraw/zinc/27/66/10/396276610.db2.gz FKAIHKAQQHGIEJ-UHFFFAOYSA-N 0 0 314.349 0.546 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NCCCc1ccccn1 ZINC000179172641 396223250 /nfs/dbraw/zinc/22/32/50/396223250.db2.gz WTIYLBZTVZLRBN-UHFFFAOYSA-N 0 0 314.411 0.253 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000179426001 396226716 /nfs/dbraw/zinc/22/67/16/396226716.db2.gz UCGNOVODBWLZPM-CQSZACIVSA-N 0 0 317.393 0.526 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000179686086 396228987 /nfs/dbraw/zinc/22/89/87/396228987.db2.gz PGAILXXQJBATNO-SNVBAGLBSA-N 0 0 302.327 0.009 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000179710834 396229319 /nfs/dbraw/zinc/22/93/19/396229319.db2.gz WMTINRJMEBUPKC-UWVGGRQHSA-N 0 0 306.370 0.660 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000077745616 396231040 /nfs/dbraw/zinc/23/10/40/396231040.db2.gz ALJBBLJRYVFFDZ-NSHDSACASA-N 0 0 321.381 0.266 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184960043 396312593 /nfs/dbraw/zinc/31/25/93/396312593.db2.gz VRUDNKWGMXOUOG-VIFPVBQESA-N 0 0 310.379 0.521 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)NCCCn1ccnn1 ZINC000185072270 396316029 /nfs/dbraw/zinc/31/60/29/396316029.db2.gz DBFQKXOZCQKOCY-UHFFFAOYSA-N 0 0 301.350 0.143 10 0 DCAERN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(CO)C1 ZINC000184209902 396287335 /nfs/dbraw/zinc/28/73/35/396287335.db2.gz TUGXDCZDMMXIPL-INIZCTEOSA-N 0 0 315.373 0.666 10 0 DCAERN Cc1nc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(=O)[nH]c1C ZINC000184193213 396287543 /nfs/dbraw/zinc/28/75/43/396287543.db2.gz RHRBIXIDVRGLCL-UHFFFAOYSA-N 0 0 313.317 0.486 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000184241641 396289147 /nfs/dbraw/zinc/28/91/47/396289147.db2.gz ZZQUMTPPZFEWNW-OAHLLOKOSA-N 0 0 319.405 0.903 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)C(C)(C)C1 ZINC000282550227 396291183 /nfs/dbraw/zinc/29/11/83/396291183.db2.gz TXCBRIIRSWXUNI-UHFFFAOYSA-N 0 0 321.406 0.891 10 0 DCAERN COCCCOC1CN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184391621 396292976 /nfs/dbraw/zinc/29/29/76/396292976.db2.gz FOBXHYKFMGCQDR-UHFFFAOYSA-N 0 0 305.338 0.999 10 0 DCAERN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)CC(=O)NC ZINC000184488489 396296909 /nfs/dbraw/zinc/29/69/09/396296909.db2.gz OIMDLJAQAHYYQK-UHFFFAOYSA-N 0 0 310.325 0.854 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184478541 396297317 /nfs/dbraw/zinc/29/73/17/396297317.db2.gz OTPNJRWEKHVIAU-HBNTYKKESA-N 0 0 300.384 0.839 10 0 DCAERN CN(C)c1noc(CSc2nnnn2C[C@@H]2CCCO2)n1 ZINC000184543922 396297522 /nfs/dbraw/zinc/29/75/22/396297522.db2.gz VRGWLUMHXQQAPR-QMMMGPOBSA-N 0 0 311.371 0.593 10 0 DCAERN CCN(Cc1cccc(F)c1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185169254 396320261 /nfs/dbraw/zinc/32/02/61/396320261.db2.gz FOZYYMRCCIOQCW-HUUCEWRRSA-N 0 0 310.369 0.602 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000283067618 396303553 /nfs/dbraw/zinc/30/35/53/396303553.db2.gz UOXKTERPWFKAJG-GXSJLCMTSA-N 0 0 300.366 0.837 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)C3(O)CCC3)CC2)cn1 ZINC000184756999 396304862 /nfs/dbraw/zinc/30/48/62/396304862.db2.gz SJAGZNFEMHTUQH-UHFFFAOYSA-N 0 0 306.410 0.852 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccnc(OC)c2)CC1 ZINC000184789000 396306334 /nfs/dbraw/zinc/30/63/34/396306334.db2.gz YNQMWBQOBKXVDD-AWEZNQCLSA-N 0 0 322.409 0.688 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000184875054 396309359 /nfs/dbraw/zinc/30/93/59/396309359.db2.gz BKAKHMLHRHAHBW-LBPRGKRZSA-N 0 0 305.378 0.774 10 0 DCAERN CC(C)C(=O)N1CCC(NS(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000184888164 396310470 /nfs/dbraw/zinc/31/04/70/396310470.db2.gz CRLCCKFWAYZDPM-LBPRGKRZSA-N 0 0 317.455 0.952 10 0 DCAERN Cc1noc(C(C)C)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000265367863 396311003 /nfs/dbraw/zinc/31/10/03/396311003.db2.gz ZJOGKNFQGRMTII-JTQLQIEISA-N 0 0 315.395 0.870 10 0 DCAERN CCOc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000185191312 396321214 /nfs/dbraw/zinc/32/12/14/396321214.db2.gz IHMAIUCBCBVDFS-ZIAGYGMSSA-N 0 0 308.378 0.129 10 0 DCAERN CNC(=O)C1CN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C1 ZINC000185385286 396326817 /nfs/dbraw/zinc/32/68/17/396326817.db2.gz KMJXDFDYRZRNNC-UHFFFAOYSA-N 0 0 304.350 0.879 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@](C)(O)C3)C2)cn1 ZINC000185527179 396329741 /nfs/dbraw/zinc/32/97/41/396329741.db2.gz DKXGMTLTYRUNOD-WFASDCNBSA-N 0 0 307.398 0.555 10 0 DCAERN Cc1nc(CNC(=O)C(=O)N2CCc3c2cccc3F)no1 ZINC000185692288 396333188 /nfs/dbraw/zinc/33/31/88/396333188.db2.gz CLUABFMJSNFBIS-UHFFFAOYSA-N 0 0 304.281 0.723 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCS1(=O)=O ZINC000265686175 396336821 /nfs/dbraw/zinc/33/68/21/396336821.db2.gz LLXZGMNKWHCUJR-SECBINFHSA-N 0 0 324.358 0.277 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000185773515 396334426 /nfs/dbraw/zinc/33/44/26/396334426.db2.gz XGFBCPGLHQASDP-ZWNOBZJWSA-N 0 0 316.361 0.675 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCC1=O ZINC000265664448 396335280 /nfs/dbraw/zinc/33/52/80/396335280.db2.gz PODLGKGZNIENHM-PWSUYJOCSA-N 0 0 319.336 0.989 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000284884303 396347755 /nfs/dbraw/zinc/34/77/55/396347755.db2.gz ZNWZLPPVRAIKPL-GFCCVEGCSA-N 0 0 318.782 0.341 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@]3(CCOC3)C2)c2cnn(C)c2n1 ZINC000186104120 396341265 /nfs/dbraw/zinc/34/12/65/396341265.db2.gz IKVYSFFZDRGBHN-MRXNPFEDSA-N 0 0 316.361 0.908 10 0 DCAERN Cc1ccc2c(c1)nc(CNC(=O)C[C@@H]1NC(=O)NC1=O)n2C ZINC000186159402 396342571 /nfs/dbraw/zinc/34/25/71/396342571.db2.gz WZAZRRUKMUNDFV-JTQLQIEISA-N 0 0 315.333 0.096 10 0 DCAERN COC(=O)c1coc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000186341561 396347932 /nfs/dbraw/zinc/34/79/32/396347932.db2.gz VKIRGCGCFWUMPJ-GFCCVEGCSA-N 0 0 308.334 0.613 10 0 DCAERN COC(=O)C1(CNC(=O)NCc2cccnc2N(C)C)CC1 ZINC000186592462 396353172 /nfs/dbraw/zinc/35/31/72/396353172.db2.gz ZVAVFWGYPCBQGZ-UHFFFAOYSA-N 0 0 306.366 0.900 10 0 DCAERN O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCNC(=O)CC1 ZINC000186601973 396353335 /nfs/dbraw/zinc/35/33/35/396353335.db2.gz IZLXAJPQPLHFGA-UHFFFAOYSA-N 0 0 319.752 0.883 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC000186638603 396354029 /nfs/dbraw/zinc/35/40/29/396354029.db2.gz QBXUGPUWWQLFOR-BDAKNGLRSA-N 0 0 310.379 0.502 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000186643527 396354265 /nfs/dbraw/zinc/35/42/65/396354265.db2.gz ZANOTERQOZVZHJ-NSHDSACASA-N 0 0 320.397 0.655 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000186643547 396354579 /nfs/dbraw/zinc/35/45/79/396354579.db2.gz ZANOTERQOZVZHJ-LLVKDONJSA-N 0 0 320.397 0.655 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000285839179 396356949 /nfs/dbraw/zinc/35/69/49/396356949.db2.gz ARBDMSJSJJYFFV-MFKMUULPSA-N 0 0 305.382 0.283 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCN(c3nc(N)ns3)CC2)c1C ZINC000268186784 396359390 /nfs/dbraw/zinc/35/93/90/396359390.db2.gz DVNKLXWAOYCQLL-UHFFFAOYSA-N 0 0 307.383 0.423 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000187229552 396365059 /nfs/dbraw/zinc/36/50/59/396365059.db2.gz LOOKIJOACKYYRL-MRVPVSSYSA-N 0 0 321.349 0.874 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000187246560 396365622 /nfs/dbraw/zinc/36/56/22/396365622.db2.gz GDIGJAHMDSZAMM-XQQFMLRXSA-N 0 0 307.394 0.720 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000187252426 396365661 /nfs/dbraw/zinc/36/56/61/396365661.db2.gz LXBOGDGAKJKHNE-UHFFFAOYSA-N 0 0 302.334 0.211 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187258943 396366002 /nfs/dbraw/zinc/36/60/02/396366002.db2.gz KCWXICHPMYNETR-NSHDSACASA-N 0 0 308.386 0.074 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC3(CCO)CC3)C2)cn1 ZINC000187285125 396366833 /nfs/dbraw/zinc/36/68/33/396366833.db2.gz SQELVIFGTZIWOF-CYBMUJFWSA-N 0 0 321.425 0.851 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)C1)C1CC1 ZINC000187586474 396371514 /nfs/dbraw/zinc/37/15/14/396371514.db2.gz OIBIVHCMQSXCPY-BFHYXJOUSA-N 0 0 307.394 0.864 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(OC(C)C)cc2)CCO1 ZINC000187586683 396371760 /nfs/dbraw/zinc/37/17/60/396371760.db2.gz SIWYQCWTEPCTDC-HNNXBMFYSA-N 0 0 320.389 0.990 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000186380539 396348874 /nfs/dbraw/zinc/34/88/74/396348874.db2.gz VWYWBWSKXQNTNM-YNEHKIRRSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000265909224 396349353 /nfs/dbraw/zinc/34/93/53/396349353.db2.gz YCAWYACQGLYRIE-HTQZYQBOSA-N 0 0 304.393 0.645 10 0 DCAERN CCN(CC(F)F)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000186457227 396349762 /nfs/dbraw/zinc/34/97/62/396349762.db2.gz INSMPNBSPZGRSP-UHFFFAOYSA-N 0 0 314.354 0.703 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2nccnc2N)C12CCOCC2 ZINC000186459689 396350123 /nfs/dbraw/zinc/35/01/23/396350123.db2.gz GIWUMESNLAEMSH-GHMZBOCLSA-N 0 0 306.366 0.763 10 0 DCAERN NC(=O)NC(=O)CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186481853 396350468 /nfs/dbraw/zinc/35/04/68/396350468.db2.gz LFJDAYNMPURKDU-UHFFFAOYSA-N 0 0 313.304 0.443 10 0 DCAERN COc1cc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)ccc1C ZINC000285506567 396350604 /nfs/dbraw/zinc/35/06/04/396350604.db2.gz MOHHLTYDWFQDNG-INIZCTEOSA-N 0 0 306.362 0.385 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CCn2cncn2)C12CCOCC2 ZINC000186469377 396350618 /nfs/dbraw/zinc/35/06/18/396350618.db2.gz BMUNHEHWBFNSTO-CHWSQXEVSA-N 0 0 308.382 0.759 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000285717063 396352322 /nfs/dbraw/zinc/35/23/22/396352322.db2.gz XSIUIWLJDWGSND-LRDDRELGSA-N 0 0 304.346 0.392 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000188356790 396381843 /nfs/dbraw/zinc/38/18/43/396381843.db2.gz BRRGSYXBOMHFKA-KGLIPLIRSA-N 0 0 301.431 0.756 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](CO)C2)NC1=O ZINC000269085136 396384596 /nfs/dbraw/zinc/38/45/96/396384596.db2.gz LZSNAIXIZNXTTE-NXEZZACHSA-N 0 0 306.318 0.239 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000188845803 396387082 /nfs/dbraw/zinc/38/70/82/396387082.db2.gz AOQOUBZQOCNFRB-SNVBAGLBSA-N 0 0 318.333 0.999 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000188863310 396388052 /nfs/dbraw/zinc/38/80/52/396388052.db2.gz PTZOFMSLQDMXCC-BDAKNGLRSA-N 0 0 321.299 0.134 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289608 396392521 /nfs/dbraw/zinc/39/25/21/396392521.db2.gz CTWVZJKMDQNQCQ-LBPRGKRZSA-N 0 0 301.350 0.532 10 0 DCAERN Cc1cccc(C)c1-n1nnnc1CN1CCCNC(=O)[C@H]1C ZINC000189308545 396393208 /nfs/dbraw/zinc/39/32/08/396393208.db2.gz QYPCDAUMMXNZGV-CYBMUJFWSA-N 0 0 314.393 0.990 10 0 DCAERN C[C@H]1C[C@H](NC(=O)N2CC(CO)C2)C(=O)N1c1ccccc1 ZINC000189321884 396393316 /nfs/dbraw/zinc/39/33/16/396393316.db2.gz XVTMUYZDFGPHJN-FZMZJTMJSA-N 0 0 303.362 0.814 10 0 DCAERN O=C(C[C@H]1CSCCS1)N1CC(NC(=O)C2CC2)C1 ZINC000189421883 396394910 /nfs/dbraw/zinc/39/49/10/396394910.db2.gz KHZQRKUIKBZATP-NSHDSACASA-N 0 0 300.449 0.962 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)n1 ZINC000193083548 396443790 /nfs/dbraw/zinc/44/37/90/396443790.db2.gz XKHZGTXXSSDOLP-MRVPVSSYSA-N 0 0 322.394 0.909 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3c[nH]c(=S)[nH]3)C2)cn1 ZINC000189432781 396395516 /nfs/dbraw/zinc/39/55/16/396395516.db2.gz DOUHBRCDSSSWNE-SECBINFHSA-N 0 0 306.395 0.831 10 0 DCAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000189506154 396395887 /nfs/dbraw/zinc/39/58/87/396395887.db2.gz OURAGGYMQAKZRC-RYUDHWBXSA-N 0 0 308.378 0.703 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189758232 396398292 /nfs/dbraw/zinc/39/82/92/396398292.db2.gz ZEMWMCWZIPEKAZ-UHFFFAOYSA-N 0 0 306.362 0.937 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCN(c2cc(C)[nH]n2)CC1)C(C)C ZINC000189784150 396399354 /nfs/dbraw/zinc/39/93/54/396399354.db2.gz JULUCSAYLTXBBX-CYBMUJFWSA-N 0 0 323.397 0.747 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000189839476 396400419 /nfs/dbraw/zinc/40/04/19/396400419.db2.gz ZIIIFGHLFIJTGO-MRVPVSSYSA-N 0 0 307.272 0.772 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000190204812 396402780 /nfs/dbraw/zinc/40/27/80/396402780.db2.gz LMOPZGGTHNFMQK-YPMHNXCESA-N 0 0 314.411 0.049 10 0 DCAERN NCC(F)(F)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000190278894 396404274 /nfs/dbraw/zinc/40/42/74/396404274.db2.gz YLXSYVJTCZGLLB-SNVBAGLBSA-N 0 0 321.393 0.788 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000190366085 396405958 /nfs/dbraw/zinc/40/59/58/396405958.db2.gz BCDOHGHYJPNMAE-VHSXEESVSA-N 0 0 305.334 0.229 10 0 DCAERN CNc1ncc(C(=O)N2CCCN(CCOC)C(=O)C2)s1 ZINC000190624250 396408924 /nfs/dbraw/zinc/40/89/24/396408924.db2.gz FHQDSEGOVUBOMP-UHFFFAOYSA-N 0 0 312.395 0.506 10 0 DCAERN COCCN1CCCN(Cc2cc(C(=O)OC)co2)CC1=O ZINC000190784007 396410864 /nfs/dbraw/zinc/41/08/64/396410864.db2.gz ZVAZJKSSRCBDLT-UHFFFAOYSA-N 0 0 310.350 0.747 10 0 DCAERN CCCn1c(C)nnc1CN1CCCN(CCOC)C(=O)C1 ZINC000190779647 396411301 /nfs/dbraw/zinc/41/13/01/396411301.db2.gz TUAIHHRVRPWHSW-UHFFFAOYSA-N 0 0 309.414 0.677 10 0 DCAERN COCCN1CCCN(CC(=O)NCc2ccccc2)CC1=O ZINC000190798735 396411736 /nfs/dbraw/zinc/41/17/36/396411736.db2.gz JZXIWOKJBFGULP-UHFFFAOYSA-N 0 0 319.405 0.484 10 0 DCAERN C[C@H](C(=O)NCCc1cccs1)N1CCCN(C)C(=O)C1 ZINC000191134985 396415971 /nfs/dbraw/zinc/41/59/71/396415971.db2.gz AMCNCMJOCRWNOS-GFCCVEGCSA-N 0 0 309.435 0.959 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cc(-c3nccn3C)nn2C)C1 ZINC000191199030 396416709 /nfs/dbraw/zinc/41/67/09/396416709.db2.gz RFXRLYBJUGAQHC-UHFFFAOYSA-N 0 0 302.338 0.237 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191427134 396418805 /nfs/dbraw/zinc/41/88/05/396418805.db2.gz FFAKQJMJQDNXLC-GWCFXTLKSA-N 0 0 321.425 0.888 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)[nH]1 ZINC000191551472 396421121 /nfs/dbraw/zinc/42/11/21/396421121.db2.gz NFTKHAKGHCIZAO-VIFPVBQESA-N 0 0 309.395 0.898 10 0 DCAERN CCOCc1ccccc1CNC(=O)CN1CC(=O)N(CC)C1 ZINC000191526827 396421476 /nfs/dbraw/zinc/42/14/76/396421476.db2.gz HEBOWODYCICROB-UHFFFAOYSA-N 0 0 319.405 0.961 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)C1 ZINC000191925578 396427139 /nfs/dbraw/zinc/42/71/39/396427139.db2.gz MNSRUDJCXDDHDG-JSGCOSHPSA-N 0 0 320.393 0.170 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)C1 ZINC000191925599 396427210 /nfs/dbraw/zinc/42/72/10/396427210.db2.gz MNSRUDJCXDDHDG-GXTWGEPZSA-N 0 0 320.393 0.170 10 0 DCAERN Cc1cccc(CNC(=O)N2CCS(=O)(=O)C[C@H](C)C2)n1 ZINC000192156549 396429841 /nfs/dbraw/zinc/42/98/41/396429841.db2.gz YTUANYIAMAEWQV-LLVKDONJSA-N 0 0 311.407 0.966 10 0 DCAERN Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@@H]1C(N)=O ZINC000192142801 396430202 /nfs/dbraw/zinc/43/02/02/396430202.db2.gz JOLKVELEVIVBKA-OAHLLOKOSA-N 0 0 300.362 0.867 10 0 DCAERN Cc1cc(N2CCN([C@H](C)c3nnnn3C3CC3)CC2)n[nH]1 ZINC000192216039 396430781 /nfs/dbraw/zinc/43/07/81/396430781.db2.gz RQDXDYDFLKCJNM-LLVKDONJSA-N 0 0 302.386 0.923 10 0 DCAERN COC(=O)[C@H]1COCCN1C[C@@H](O)COCc1ccccc1 ZINC000269649157 396433123 /nfs/dbraw/zinc/43/31/23/396433123.db2.gz QBSNITSXCJKCJK-HUUCEWRRSA-N 0 0 309.362 0.438 10 0 DCAERN COc1ccnc(NC2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000192858153 396438811 /nfs/dbraw/zinc/43/88/11/396438811.db2.gz ZBIBMQXXHBZGDV-JTQLQIEISA-N 0 0 318.385 0.646 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccn(C)n1 ZINC000192876620 396439737 /nfs/dbraw/zinc/43/97/37/396439737.db2.gz JVVAJTIUKHNPSV-UHFFFAOYSA-N 0 0 300.318 0.957 10 0 DCAERN O=C(NCCCCCO)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000193032548 396442571 /nfs/dbraw/zinc/44/25/71/396442571.db2.gz RPNYRZNTTFUOBF-CYBMUJFWSA-N 0 0 307.398 0.907 10 0 DCAERN CN1CCC[C@@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291512221 396495992 /nfs/dbraw/zinc/49/59/92/396495992.db2.gz ISXNJPOGZHXCRW-SNVBAGLBSA-N 0 0 304.350 0.615 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@H](C)CO1 ZINC000291741973 396510076 /nfs/dbraw/zinc/51/00/76/396510076.db2.gz LTVWIOCSSUEWGV-NXEZZACHSA-N 0 0 306.366 0.872 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CCNC(=O)CC2)sc1C ZINC000193393937 396449923 /nfs/dbraw/zinc/44/99/23/396449923.db2.gz HHWUDMZOOBQDCB-UHFFFAOYSA-N 0 0 310.379 0.301 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCN2C)sc2nccn12 ZINC000269884941 396453415 /nfs/dbraw/zinc/45/34/15/396453415.db2.gz KBJYLTMHPQEBOQ-LLVKDONJSA-N 0 0 307.423 0.680 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2CCO[C@H](CO)C2)cc1F ZINC000269906837 396454423 /nfs/dbraw/zinc/45/44/23/396454423.db2.gz ZPVDYCJLSRFEIW-VIFPVBQESA-N 0 0 307.318 0.655 10 0 DCAERN c1nc(N2CCCCC2)cc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000371807398 396477245 /nfs/dbraw/zinc/47/72/45/396477245.db2.gz AOSKULHNEXUIFF-AWEZNQCLSA-N 0 0 303.410 0.988 10 0 DCAERN Cc1ccnc(C2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000371829345 396478103 /nfs/dbraw/zinc/47/81/03/396478103.db2.gz SRWMIVNUDJRGSF-UHFFFAOYSA-N 0 0 304.394 0.823 10 0 DCAERN O=c1[nH]c(CCN2CCN3CCOC[C@@H]3C2)nc2ccccc21 ZINC000371836005 396478213 /nfs/dbraw/zinc/47/82/13/396478213.db2.gz WOJFUXDITUVCFB-ZDUSSCGKSA-N 0 0 314.389 0.894 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCc1ccccc1F ZINC000371830116 396478241 /nfs/dbraw/zinc/47/82/41/396478241.db2.gz XVCCYZJHJPAJPV-AWEZNQCLSA-N 0 0 307.369 0.458 10 0 DCAERN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1N1CCOCC1 ZINC000371923133 396480409 /nfs/dbraw/zinc/48/04/09/396480409.db2.gz CGVJJUDUZYUURO-GXTWGEPZSA-N 0 0 317.393 0.175 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000371942135 396480678 /nfs/dbraw/zinc/48/06/78/396480678.db2.gz IAHFIEDNVFNVMH-JNIYBQFBSA-N 0 0 313.398 0.474 10 0 DCAERN COCCOCCOCCCNC(=O)N1CCOCC[C@@H]1C ZINC000372128765 396491453 /nfs/dbraw/zinc/49/14/53/396491453.db2.gz PDAUGWLEDSXJDA-AWEZNQCLSA-N 0 0 318.414 0.877 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000372161754 396493848 /nfs/dbraw/zinc/49/38/48/396493848.db2.gz AGQXUEFSEYMPQB-LLVKDONJSA-N 0 0 305.382 0.753 10 0 DCAERN Cc1ccc2ncc(C(=O)N3C[C@H](F)C[C@H]3CO)c(=O)n2c1 ZINC000372503340 396522440 /nfs/dbraw/zinc/52/24/40/396522440.db2.gz JGTWTUCEPCSQQW-MNOVXSKESA-N 0 0 305.309 0.548 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000594852558 396528360 /nfs/dbraw/zinc/52/83/60/396528360.db2.gz RFSYOLFWCOSYHA-MNOVXSKESA-N 0 0 308.400 0.273 10 0 DCAERN COCc1cc(N2CCN(Cc3nnc(C)[nH]3)CC2)ncn1 ZINC000520641135 396529335 /nfs/dbraw/zinc/52/93/35/396529335.db2.gz ZGYWIJROLJKLIR-UHFFFAOYSA-N 0 0 303.370 0.372 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C1 ZINC000372719520 396539576 /nfs/dbraw/zinc/53/95/76/396539576.db2.gz QYUMFHWFWDJDOI-YRGRVCCFSA-N 0 0 307.398 0.866 10 0 DCAERN Cn1cc(/C=C/C(=O)N2CCCC23CCC3)c(=O)n(C)c1=O ZINC000373049020 396562594 /nfs/dbraw/zinc/56/25/94/396562594.db2.gz XXTIQKMDRLBATA-AATRIKPKSA-N 0 0 303.362 0.642 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)N[C@H]3CC(=O)N(C)C3)CC2)n1 ZINC000373258878 396579256 /nfs/dbraw/zinc/57/92/56/396579256.db2.gz IZMUHRRDANMJNR-ZDUSSCGKSA-N 0 0 317.393 0.905 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1=O ZINC000374216136 396648002 /nfs/dbraw/zinc/64/80/02/396648002.db2.gz FXDPAOZJOOWSRV-OXHZDVMGSA-N 0 0 316.405 0.651 10 0 DCAERN Cc1ncc(C(=O)NCCCN2CCCS2(=O)=O)s1 ZINC000585733729 396651171 /nfs/dbraw/zinc/65/11/71/396651171.db2.gz WDLSYQCQLOHWOO-UHFFFAOYSA-N 0 0 303.409 0.607 10 0 DCAERN COc1ncccc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585734744 396651248 /nfs/dbraw/zinc/65/12/48/396651248.db2.gz AGJQLJCDGLYIBE-UHFFFAOYSA-N 0 0 313.379 0.246 10 0 DCAERN CCc1cc(C(=O)NCCCN2CCCS2(=O)=O)[nH]n1 ZINC000585735074 396651477 /nfs/dbraw/zinc/65/14/77/396651477.db2.gz OMFDMJIBGFYUHU-UHFFFAOYSA-N 0 0 300.384 0.128 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000562272732 396654856 /nfs/dbraw/zinc/65/48/56/396654856.db2.gz IAYLLYVQSLRMMI-ZWNOBZJWSA-N 0 0 310.398 0.553 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000595413631 396605309 /nfs/dbraw/zinc/60/53/09/396605309.db2.gz DJTYLYGQJRZUJQ-LLVKDONJSA-N 0 0 315.338 0.625 10 0 DCAERN CCCS(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000373669984 396606231 /nfs/dbraw/zinc/60/62/31/396606231.db2.gz FUJZCPMTOOEWLD-UHFFFAOYSA-N 0 0 307.379 0.896 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000373830362 396616931 /nfs/dbraw/zinc/61/69/31/396616931.db2.gz CPXWEVFXLMUTOK-UHFFFAOYSA-N 0 0 323.827 0.904 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@H]2C2CC2)CC1 ZINC000584757088 396620991 /nfs/dbraw/zinc/62/09/91/396620991.db2.gz LIQLCFRJNVUVEJ-UONOGXRCSA-N 0 0 322.409 0.165 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN[C@H](c3cccnc3)C2)C1 ZINC000374362914 396658062 /nfs/dbraw/zinc/65/80/62/396658062.db2.gz GZNBSBYFBQVPNP-ZFWWWQNUSA-N 0 0 316.405 0.813 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)C1CCCC1 ZINC000374131398 396641294 /nfs/dbraw/zinc/64/12/94/396641294.db2.gz KEDQAVDNGUCLDS-YDEYXMKJSA-N 0 0 321.421 0.807 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000562411073 396662355 /nfs/dbraw/zinc/66/23/55/396662355.db2.gz ZBKGDRVOWHQMTO-LBPRGKRZSA-N 0 0 320.397 0.923 10 0 DCAERN COC(=O)[C@H](CC(C)C)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762484 396663732 /nfs/dbraw/zinc/66/37/32/396663732.db2.gz ZUOSCVSLZKVWOD-RYUDHWBXSA-N 0 0 306.428 0.588 10 0 DCAERN Cc1c(CN(C)c2ccnc(N3CCOCC3)n2)cnn1C ZINC000562502904 396667702 /nfs/dbraw/zinc/66/77/02/396667702.db2.gz FAXISVGRYAADTE-UHFFFAOYSA-N 0 0 302.382 0.992 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)Cc2ccccc2O1 ZINC000294427334 396674059 /nfs/dbraw/zinc/67/40/59/396674059.db2.gz YKDSUGZVGXUPEB-JTQLQIEISA-N 0 0 303.318 0.348 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000374912093 396696842 /nfs/dbraw/zinc/69/68/42/396696842.db2.gz DCPFCSYACMHWKI-LBPRGKRZSA-N 0 0 321.308 0.357 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000374958481 396701122 /nfs/dbraw/zinc/70/11/22/396701122.db2.gz AAMRNWUVFKCNLH-CQSZACIVSA-N 0 0 300.362 0.579 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000374962943 396701675 /nfs/dbraw/zinc/70/16/75/396701675.db2.gz LXESCAOKTDJJRF-CQSZACIVSA-N 0 0 320.389 0.789 10 0 DCAERN O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)[C@@H]1COCCO1 ZINC000589453361 396715437 /nfs/dbraw/zinc/71/54/37/396715437.db2.gz JGZIVUJMTNHVBH-OLZOCXBDSA-N 0 0 322.386 0.942 10 0 DCAERN C[C@@H](c1nccs1)N1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000302206730 396718143 /nfs/dbraw/zinc/71/81/43/396718143.db2.gz WPUZUFUWGMSEFL-JTQLQIEISA-N 0 0 318.406 0.915 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625124079 396777599 /nfs/dbraw/zinc/77/75/99/396777599.db2.gz URDQUJDTXQPINV-NWDGAFQWSA-N 0 0 305.396 0.564 10 0 DCAERN CC(=O)c1cccc(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC000617710222 396782867 /nfs/dbraw/zinc/78/28/67/396782867.db2.gz IFOKVJKYXDBFAA-MRXNPFEDSA-N 0 0 307.346 0.787 10 0 DCAERN CC(=O)c1ccc(CC(=O)NC[C@]2(OCCO)CCOC2)cc1 ZINC000617714494 396787112 /nfs/dbraw/zinc/78/71/12/396787112.db2.gz JHTXAQKCHLPSCJ-QGZVFWFLSA-N 0 0 321.373 0.716 10 0 DCAERN O=C(NC[C@]1(OCCO)CCOC1)[C@@H]1COc2ccccc2O1 ZINC000617717452 396787960 /nfs/dbraw/zinc/78/79/60/396787960.db2.gz HTTPBUXAFPYNGT-GOEBONIOSA-N 0 0 323.345 0.111 10 0 DCAERN CC(=O)C1(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000629433597 396755700 /nfs/dbraw/zinc/75/57/00/396755700.db2.gz RFUAFIDTXVZHQC-HNNXBMFYSA-N 0 0 317.389 0.768 10 0 DCAERN O=C([O-])C1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309648082 396756934 /nfs/dbraw/zinc/75/69/34/396756934.db2.gz DRVVSZYDHSJOOS-CQSZACIVSA-N 0 0 303.362 0.987 10 0 DCAERN CCCCOC[C@@H](O)CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312819245 396766555 /nfs/dbraw/zinc/76/65/55/396766555.db2.gz MNBHIGHKFCTVOJ-KGLIPLIRSA-N 0 0 307.456 0.921 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@H]3OCC[C@@H]3C)C1)C2 ZINC000328625635 396824427 /nfs/dbraw/zinc/82/44/27/396824427.db2.gz DJSRAORDRGZYRN-HZMBPMFUSA-N 0 0 305.382 0.038 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)c4cc[nH]n4)CC3)n2n1 ZINC000328628867 396826066 /nfs/dbraw/zinc/82/60/66/396826066.db2.gz HRTXWJFPCLFUDV-UHFFFAOYSA-N 0 0 312.337 0.118 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)C3=COCCC3)C1)C2 ZINC000328628234 396826681 /nfs/dbraw/zinc/82/66/81/396826681.db2.gz HAKQYTFDCONBPT-UHFFFAOYSA-N 0 0 303.366 0.307 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C[C@@H](O)CN2CCOCC2)[nH]1 ZINC000328636531 396829267 /nfs/dbraw/zinc/82/92/67/396829267.db2.gz CLWJPDYOMJERCT-KBPBESRZSA-N 0 0 309.414 0.333 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@H]1CCOC1=O ZINC000328656937 396831465 /nfs/dbraw/zinc/83/14/65/396831465.db2.gz ZVGIOFBHHQWLDF-IHRRRGAJSA-N 0 0 308.357 0.636 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCCn2nnnc21 ZINC000329198070 396841763 /nfs/dbraw/zinc/84/17/63/396841763.db2.gz VNESEVGRCJIYQO-UWVGGRQHSA-N 0 0 324.410 0.357 10 0 DCAERN Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H]1CCOC1 ZINC000564588203 396845580 /nfs/dbraw/zinc/84/55/80/396845580.db2.gz GBSRZMUYXXFNEO-KGLIPLIRSA-N 0 0 307.398 0.144 10 0 DCAERN CN(C)c1n[nH]c(NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)n1 ZINC000375924912 396846128 /nfs/dbraw/zinc/84/61/28/396846128.db2.gz NUDZXHAUQXRILQ-LLVKDONJSA-N 0 0 314.349 0.679 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NC2CN(c3ccncn3)C2)C1 ZINC000634452460 396853548 /nfs/dbraw/zinc/85/35/48/396853548.db2.gz VPXZMEOGGTXFPO-HNNXBMFYSA-N 0 0 303.366 0.040 10 0 DCAERN O=C(NCc1nnnn1CC1CC1)[C@H]1CCc2cncn2C1 ZINC000564659574 396854198 /nfs/dbraw/zinc/85/41/98/396854198.db2.gz YQXCGSXSEUXZLQ-NSHDSACASA-N 0 0 301.354 0.158 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)NCCCN1CCCS1(=O)=O ZINC000590618727 396817263 /nfs/dbraw/zinc/81/72/63/396817263.db2.gz WPINZXHGHJTJTP-UHFFFAOYSA-N 0 0 314.411 0.111 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)ccn1 ZINC000376126707 396879358 /nfs/dbraw/zinc/87/93/58/396879358.db2.gz GIVNHFOMYZYKCE-NSHDSACASA-N 0 0 321.362 0.429 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1csc(C(F)(F)F)c1 ZINC000629949067 396891725 /nfs/dbraw/zinc/89/17/25/396891725.db2.gz NCLYNIWFBAVSIW-UHFFFAOYSA-N 0 0 302.299 0.785 10 0 DCAERN C[C@@]1(NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO[C@@H]1C1CC1 ZINC000332849024 396896480 /nfs/dbraw/zinc/89/64/80/396896480.db2.gz RFPJZSZLWHEZGO-KYEXWDHISA-N 0 0 321.381 0.475 10 0 DCAERN NC(=O)[C@]1(NC(=O)Cc2cc(F)c(F)cc2F)CCCOC1 ZINC000376798655 396980742 /nfs/dbraw/zinc/98/07/42/396980742.db2.gz IUWFAQQSVONYKG-AWEZNQCLSA-N 0 0 316.279 0.797 10 0 DCAERN CC(C)(CNC(=O)N1CC[C@@H](CC(N)=O)C1)N1CCOCC1 ZINC000376817192 396983589 /nfs/dbraw/zinc/98/35/89/396983589.db2.gz AGJBRRXENKHMEG-LBPRGKRZSA-N 0 0 312.414 0.004 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2ccoc2)CCN1S(C)(=O)=O ZINC000618676880 397010484 /nfs/dbraw/zinc/01/04/84/397010484.db2.gz WCBKNUYYUVILFP-LLVKDONJSA-N 0 0 300.380 0.705 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000377041479 397019087 /nfs/dbraw/zinc/01/90/87/397019087.db2.gz SASWVELRUYHPLL-ZOWXZIJZSA-N 0 0 312.366 0.529 10 0 DCAERN CC(=O)c1cccc(NC(=O)N2CCO[C@H](CC(N)=O)C2)c1 ZINC000626197984 397107045 /nfs/dbraw/zinc/10/70/45/397107045.db2.gz CHGLNRDTTUTRBW-CYBMUJFWSA-N 0 0 305.334 0.997 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCCC[C@@H](CO)C2)c1Cl ZINC000377231274 397053447 /nfs/dbraw/zinc/05/34/47/397053447.db2.gz JCISZQOJCANPBE-SECBINFHSA-N 0 0 307.803 0.857 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCc2ccc(C(=O)OC)o2)C1=O ZINC000619800567 397195200 /nfs/dbraw/zinc/19/52/00/397195200.db2.gz ODZGZLHDUULROQ-SNVBAGLBSA-N 0 0 309.322 0.486 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnns1 ZINC000626581675 397196055 /nfs/dbraw/zinc/19/60/55/397196055.db2.gz ZJAKBYATONBZHA-UHFFFAOYSA-N 0 0 313.383 0.286 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC000378110285 397196507 /nfs/dbraw/zinc/19/65/07/397196507.db2.gz GOMFPXURFRVIFS-QWHCGFSZSA-N 0 0 308.407 0.886 10 0 DCAERN COCc1cncc(C(=O)NCC2(C(=O)OC)CCOCC2)c1 ZINC000613191632 397214320 /nfs/dbraw/zinc/21/43/20/397214320.db2.gz FHGIRWMIBXCVQI-UHFFFAOYSA-N 0 0 322.361 0.928 10 0 DCAERN CC(C)(C)OC(=O)N1CCC(N2CCNS2(=O)=O)CC1 ZINC000381932225 397273797 /nfs/dbraw/zinc/27/37/97/397273797.db2.gz SEJYYYKCYQUNNH-UHFFFAOYSA-N 0 0 305.400 0.536 10 0 DCAERN CCc1[nH]c(C(=O)N[C@](C)(CO)COC)c(C)c1C(=O)OC ZINC000613534751 397274522 /nfs/dbraw/zinc/27/45/22/397274522.db2.gz SQVUKZMZRAZZEW-OAHLLOKOSA-N 0 0 312.366 0.799 10 0 DCAERN CCCCCS(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000365518631 397290336 /nfs/dbraw/zinc/29/03/36/397290336.db2.gz BMWREFRLJGKLOR-LBPRGKRZSA-N 0 0 303.384 0.180 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000365530605 397291779 /nfs/dbraw/zinc/29/17/79/397291779.db2.gz AGHOAGBIFWBMET-NEPJUHHUSA-N 0 0 305.382 0.769 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)N[C@@H]1CNC(=O)C1 ZINC000574980852 397310403 /nfs/dbraw/zinc/31/04/03/397310403.db2.gz IHCRTXZKHCOGMM-LBPRGKRZSA-N 0 0 304.350 0.533 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@H](O)CC[C@H]1C ZINC000399312640 397314100 /nfs/dbraw/zinc/31/41/00/397314100.db2.gz RRZMBUKZLQHWBW-HTQZYQBOSA-N 0 0 320.392 0.464 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CC(n2ccnn2)C1 ZINC000378537431 397253848 /nfs/dbraw/zinc/25/38/48/397253848.db2.gz DMNMGEVBHNNGIJ-UHFFFAOYSA-N 0 0 302.334 0.921 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@]2(C)CCCNC2=O)CCN1CC(F)(F)F ZINC000365255629 397254885 /nfs/dbraw/zinc/25/48/85/397254885.db2.gz ABYNAHJTLRTFQV-MFKMUULPSA-N 0 0 321.343 0.998 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@H](O)CC[C@@H]1C ZINC000399312642 397314702 /nfs/dbraw/zinc/31/47/02/397314702.db2.gz RRZMBUKZLQHWBW-JGVFFNPUSA-N 0 0 320.392 0.464 10 0 DCAERN Cc1cccc([C@H]2C(=O)NCCN2C(=O)Cc2ccn(C)n2)c1 ZINC000620355021 397262581 /nfs/dbraw/zinc/26/25/81/397262581.db2.gz YNUWUAWJNOFDDP-INIZCTEOSA-N 0 0 312.373 0.971 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2nc3cccc(F)c3n2C)CC1 ZINC000407953392 397334728 /nfs/dbraw/zinc/33/47/28/397334728.db2.gz BDHQQIIYMXZNSG-SNVBAGLBSA-N 0 0 306.341 0.742 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CCN(C2CC2)C(=O)C1 ZINC000407956184 397335806 /nfs/dbraw/zinc/33/58/06/397335806.db2.gz ISFGIMBJLAVUJS-CQSZACIVSA-N 0 0 302.330 0.660 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1=O ZINC000407958353 397336943 /nfs/dbraw/zinc/33/69/43/397336943.db2.gz QGOBLUIVESWPAF-MJBXVCDLSA-N 0 0 306.362 0.685 10 0 DCAERN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)CC(=O)N1C ZINC000407966525 397339960 /nfs/dbraw/zinc/33/99/60/397339960.db2.gz BBIFZFGURJHPQZ-SNVBAGLBSA-N 0 0 302.396 0.033 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407968350 397340486 /nfs/dbraw/zinc/34/04/86/397340486.db2.gz FVYLCRNMFFIPST-MNOVXSKESA-N 0 0 306.410 0.905 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000407968605 397340957 /nfs/dbraw/zinc/34/09/57/397340957.db2.gz VRDWKKZKTZUJKL-UPJWGTAASA-N 0 0 316.467 0.759 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000407971994 397342582 /nfs/dbraw/zinc/34/25/82/397342582.db2.gz RPAPNBWUTIOASI-BFHYXJOUSA-N 0 0 323.437 0.960 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000408040748 397345122 /nfs/dbraw/zinc/34/51/22/397345122.db2.gz CXZNVFQHFJIHGQ-GMTAPVOTSA-N 0 0 306.370 0.327 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000366169505 397346401 /nfs/dbraw/zinc/34/64/01/397346401.db2.gz IJTZXMPFADDXCS-NWDGAFQWSA-N 0 0 312.435 0.917 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@](C)(C(F)F)C2)nn1 ZINC000621189141 397348871 /nfs/dbraw/zinc/34/88/71/397348871.db2.gz JZHDIXZZTBDMOS-GFCCVEGCSA-N 0 0 302.281 0.363 10 0 DCAERN CNC(=O)[C@H]1CCCN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449799 397357525 /nfs/dbraw/zinc/35/75/25/397357525.db2.gz DRLMVUOBTJJHOT-ZJUUUORDSA-N 0 0 307.316 0.750 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000577765035 397359524 /nfs/dbraw/zinc/35/95/24/397359524.db2.gz ZXMGZKKMOXGJGN-CHWSQXEVSA-N 0 0 321.421 0.905 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCn2cncc2C1 ZINC000365806955 397320324 /nfs/dbraw/zinc/32/03/24/397320324.db2.gz UZHUFXXGTRYFOP-SNVBAGLBSA-N 0 0 300.322 0.002 10 0 DCAERN C[S@](=O)c1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000613811580 397327103 /nfs/dbraw/zinc/32/71/03/397327103.db2.gz AXASVHAKZCFOLM-ZSEKCTLFSA-N 0 0 308.403 0.581 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404170744 397328186 /nfs/dbraw/zinc/32/81/86/397328186.db2.gz VTKLEUCEFLJUDO-STQMWFEESA-N 0 0 300.355 0.577 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)nn1 ZINC000620981495 397328801 /nfs/dbraw/zinc/32/88/01/397328801.db2.gz GOLMLHWEWXMNMF-IAQYHMDHSA-N 0 0 302.334 0.719 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000614458358 397443032 /nfs/dbraw/zinc/44/30/32/397443032.db2.gz LRBRPYULHOWOSD-LBPRGKRZSA-N 0 0 319.409 0.847 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC(=O)N(C)C3)[C@H]2C1 ZINC000578161242 397398816 /nfs/dbraw/zinc/39/88/16/397398816.db2.gz CMYIZAAJRSNYDP-AVGNSLFASA-N 0 0 308.382 0.075 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)C1 ZINC000621578411 397400041 /nfs/dbraw/zinc/40/00/41/397400041.db2.gz OJMHYKHRKCCRBJ-GMTAPVOTSA-N 0 0 323.315 0.562 10 0 DCAERN COC(=O)c1csc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000602471601 397413072 /nfs/dbraw/zinc/41/30/72/397413072.db2.gz FFIDLZHBCBKOHY-SNVBAGLBSA-N 0 0 318.420 0.658 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000370331819 397471237 /nfs/dbraw/zinc/47/12/37/397471237.db2.gz DWNSWTQFIXCHHK-AWEZNQCLSA-N 0 0 301.350 0.214 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](OC)C(C)C ZINC000488288724 397488770 /nfs/dbraw/zinc/48/87/70/397488770.db2.gz FADZMCAFENYYSG-DCAQKATOSA-N 0 0 302.371 0.230 10 0 DCAERN CCCn1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)cn1 ZINC000488305179 397488880 /nfs/dbraw/zinc/48/88/80/397488880.db2.gz DUSPFLKDOLJWRD-MNOVXSKESA-N 0 0 324.381 0.479 10 0 DCAERN Cc1cc[nH]c1C(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000370467861 397490280 /nfs/dbraw/zinc/49/02/80/397490280.db2.gz FMPJOSXUEQFKFZ-OAHLLOKOSA-N 0 0 304.350 0.868 10 0 DCAERN CCCCS(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000492192484 397516750 /nfs/dbraw/zinc/51/67/50/397516750.db2.gz HAOYPKDEBGKOAW-UHFFFAOYSA-N 0 0 306.428 0.686 10 0 DCAERN NC(=O)NC1(C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000579459733 397568975 /nfs/dbraw/zinc/56/89/75/397568975.db2.gz ZYKZECXRGCQEJC-CYBMUJFWSA-N 0 0 319.361 0.494 10 0 DCAERN CCC[C@@](C)(NS(=O)(=O)C(COC)COC)C(=O)OC ZINC000603273141 397591761 /nfs/dbraw/zinc/59/17/61/397591761.db2.gz NBQILNQIKOIXOF-GFCCVEGCSA-N 0 0 311.400 0.299 10 0 DCAERN c1ccc(-n2nnnc2CCSCCc2nn[nH]n2)cc1 ZINC000603337498 397597913 /nfs/dbraw/zinc/59/79/13/397597913.db2.gz AEVJWIMXUYMFCK-UHFFFAOYSA-N 0 0 302.367 0.694 10 0 DCAERN CN(C(=O)NCCCN1CCCS1(=O)=O)C1CCCC1 ZINC000604188471 397632564 /nfs/dbraw/zinc/63/25/64/397632564.db2.gz ZVYOFSMAKGRRMZ-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608233918 397722740 /nfs/dbraw/zinc/72/27/40/397722740.db2.gz PQRKDDBPPKKXIC-RNCFNFMXSA-N 0 0 316.365 0.629 10 0 DCAERN Cc1nnc(CN2CCN(Cc3nnsc3Cl)CC2)[nH]1 ZINC000605422552 397664453 /nfs/dbraw/zinc/66/44/53/397664453.db2.gz IGKDNWTZEYQWGX-UHFFFAOYSA-N 0 0 313.818 0.936 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CC=CCC1 ZINC000605970213 397675913 /nfs/dbraw/zinc/67/59/13/397675913.db2.gz WDLFXHSCGVUBFX-LBPRGKRZSA-N 0 0 301.412 0.820 10 0 DCAERN CO[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)C(C)C ZINC000608664437 397743017 /nfs/dbraw/zinc/74/30/17/397743017.db2.gz BNKMJXVLPFJKDF-LBPRGKRZSA-N 0 0 321.443 0.382 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275426 286310242 /nfs/dbraw/zinc/31/02/42/286310242.db2.gz CLNSGBRREGFJSR-ZWNOBZJWSA-N 0 0 320.411 0.320 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000189095111 286329845 /nfs/dbraw/zinc/32/98/45/286329845.db2.gz QSRGUXZLHNCWRA-YIYPIFLZSA-N 0 0 312.410 0.630 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408450079 297970787 /nfs/dbraw/zinc/97/07/87/297970787.db2.gz INCQGQHUERVMFE-IJLUTSLNSA-N 0 0 320.455 0.522 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000045972975 158000597 /nfs/dbraw/zinc/00/05/97/158000597.db2.gz YHAROVQARFBZQD-NSHDSACASA-N 0 0 318.377 0.921 10 0 DCAERN C[C@@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 ZINC000046268288 158001480 /nfs/dbraw/zinc/00/14/80/158001480.db2.gz JSUMPAAFAKAGGB-JTQLQIEISA-N 0 0 304.350 0.307 10 0 DCAERN CN(CC(=O)Nc1ccccc1)C(=O)C1=NN(C)C(=O)CC1 ZINC000047548500 158002753 /nfs/dbraw/zinc/00/27/53/158002753.db2.gz JRWVDHWJYUIHSE-UHFFFAOYSA-N 0 0 302.334 0.692 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)COC)cc1 ZINC000049176572 158009359 /nfs/dbraw/zinc/00/93/59/158009359.db2.gz PGTRVGNQCLEGKE-SNVBAGLBSA-N 0 0 300.380 0.607 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)NCc1cscn1 ZINC000050406254 158011625 /nfs/dbraw/zinc/01/16/25/158011625.db2.gz KEXPALKQABMPTH-UHFFFAOYSA-N 0 0 315.358 0.955 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O ZINC000053409733 158017990 /nfs/dbraw/zinc/01/79/90/158017990.db2.gz UHNBTEPMFFMGTG-IONNQARKSA-N 0 0 311.288 0.308 10 0 DCAERN COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000053067286 158018459 /nfs/dbraw/zinc/01/84/59/158018459.db2.gz WZCBAMFUZFNACU-UHFFFAOYSA-N 0 0 321.358 0.668 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1C ZINC000054791789 158021865 /nfs/dbraw/zinc/02/18/65/158021865.db2.gz BYUXOWXXFRUVAL-LBPRGKRZSA-N 0 0 305.378 0.626 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)N(C)C)cc1C ZINC000054791791 158021923 /nfs/dbraw/zinc/02/19/23/158021923.db2.gz BYUXOWXXFRUVAL-GFCCVEGCSA-N 0 0 305.378 0.626 10 0 DCAERN CCOCCOCC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000056989122 158024204 /nfs/dbraw/zinc/02/42/04/158024204.db2.gz UUSQQMWZHFMGTE-UHFFFAOYSA-N 0 0 312.341 0.725 10 0 DCAERN O=C(CN1CCc2sccc2C1)NCCNC(=O)C1CC1 ZINC000058782718 158026365 /nfs/dbraw/zinc/02/63/65/158026365.db2.gz YQPJBPBHEJIYOH-UHFFFAOYSA-N 0 0 307.419 0.749 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCNC(=O)CC2)c1 ZINC000065955270 158034875 /nfs/dbraw/zinc/03/48/75/158034875.db2.gz NOYYIDFWZKQJDK-NSHDSACASA-N 0 0 318.377 0.794 10 0 DCAERN O=C(C1=COCCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000068388733 158043722 /nfs/dbraw/zinc/04/37/22/158043722.db2.gz PDJVXCUWTKFORT-ZDUSSCGKSA-N 0 0 308.378 0.778 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)C(=O)Nc1cccnc1 ZINC000070905138 158049514 /nfs/dbraw/zinc/04/95/14/158049514.db2.gz OZROWIURSFTDJI-UHFFFAOYSA-N 0 0 312.329 0.566 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N(CCO)CCOCC(F)(F)F ZINC000074132044 158056701 /nfs/dbraw/zinc/05/67/01/158056701.db2.gz YHXFJZZKPJEKIZ-SNVBAGLBSA-N 0 0 314.304 0.748 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)N1CCOCC1 ZINC000076957848 158066640 /nfs/dbraw/zinc/06/66/40/158066640.db2.gz FTBHDDFFHGBNPZ-NHYWBVRUSA-N 0 0 308.353 0.966 10 0 DCAERN CCN(C(=O)CN1[C@H](C)COC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000077367540 158068020 /nfs/dbraw/zinc/06/80/20/158068020.db2.gz KRVPVLOUUHWFHV-FRRDWIJNSA-N 0 0 318.439 0.131 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077162486 158068060 /nfs/dbraw/zinc/06/80/60/158068060.db2.gz BEPHXJXYUUFEQN-ZFWWWQNUSA-N 0 0 320.389 0.849 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)c2c(=O)[nH]n(C)c2n1 ZINC000077155665 158068087 /nfs/dbraw/zinc/06/80/87/158068087.db2.gz BXKXSWGYLVEMIZ-ZYHUDNBSSA-N 0 0 318.377 0.851 10 0 DCAERN CNS(=O)(=O)CCCSc1nnnn1-c1ccccc1 ZINC000078448115 158073251 /nfs/dbraw/zinc/07/32/51/158073251.db2.gz TXYLDRLQJUNDES-UHFFFAOYSA-N 0 0 313.408 0.694 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCCC(=O)N2CCCCC2)C1 ZINC000079237307 158077545 /nfs/dbraw/zinc/07/75/45/158077545.db2.gz MXBMMUZGPNBKFJ-AWEZNQCLSA-N 0 0 324.425 0.699 10 0 DCAERN CCOc1ccc(CNC(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000080078655 158079747 /nfs/dbraw/zinc/07/97/47/158079747.db2.gz UBAGEWXDUYOECV-UHFFFAOYSA-N 0 0 321.312 0.231 10 0 DCAERN O=C(NCCn1ccnc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000080575222 158081182 /nfs/dbraw/zinc/08/11/82/158081182.db2.gz VFEAALAPBNRTNB-OAHLLOKOSA-N 0 0 321.425 0.779 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)N1CCOCC1 ZINC000083700431 158087419 /nfs/dbraw/zinc/08/74/19/158087419.db2.gz QVLZPOLZBDVAAX-WCQYABFASA-N 0 0 322.413 0.441 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089165754 158096357 /nfs/dbraw/zinc/09/63/57/158096357.db2.gz JALLMCDQOXWXRI-JQWIXIFHSA-N 0 0 313.375 0.913 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCOC[C@@H]3C3CC3)nc2n1 ZINC000089976654 158100312 /nfs/dbraw/zinc/10/03/12/158100312.db2.gz LAPURJIGJIAYAI-CYBMUJFWSA-N 0 0 315.377 0.921 10 0 DCAERN O=C(C(=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1)N1CCCC1 ZINC000089886121 158100484 /nfs/dbraw/zinc/10/04/84/158100484.db2.gz IZCXCXMMXOSSPH-KBPBESRZSA-N 0 0 309.410 0.057 10 0 DCAERN COCCCOCCN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000091055652 158107090 /nfs/dbraw/zinc/10/70/90/158107090.db2.gz CKHFEKSRVHCDGI-ZDUSSCGKSA-N 0 0 308.444 0.948 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC(=O)NC3CC3)cnc12 ZINC000090996454 158106939 /nfs/dbraw/zinc/10/69/39/158106939.db2.gz CAYVFZYONANJMG-UHFFFAOYSA-N 0 0 300.318 0.011 10 0 DCAERN COc1ccccc1/C=C/CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091866457 158111029 /nfs/dbraw/zinc/11/10/29/158111029.db2.gz OFFVLIJTUZKNPL-YVZNUBBCSA-N 0 0 315.373 0.351 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000101864366 158127443 /nfs/dbraw/zinc/12/74/43/158127443.db2.gz XUAQQBJOOOVGQH-LBPRGKRZSA-N 0 0 305.382 0.837 10 0 DCAERN COCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000101572658 158127465 /nfs/dbraw/zinc/12/74/65/158127465.db2.gz PDFMFNSQAKUMQJ-LBPRGKRZSA-N 0 0 306.428 0.148 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)N3CCCCC3)CC2)no1 ZINC000105866688 158130413 /nfs/dbraw/zinc/13/04/13/158130413.db2.gz SUORLLWXPFMQNB-UHFFFAOYSA-N 0 0 321.425 0.898 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)CC1=O ZINC000105810811 158131262 /nfs/dbraw/zinc/13/12/62/158131262.db2.gz KSEKUOLZWTWZIE-CYBMUJFWSA-N 0 0 317.393 0.384 10 0 DCAERN Cn1cc(CCC(=O)N2CCCN(c3cccnn3)CC2)cn1 ZINC000105811242 158131402 /nfs/dbraw/zinc/13/14/02/158131402.db2.gz WKRWAGPRMYJDQX-UHFFFAOYSA-N 0 0 314.393 0.882 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC000105895197 158132358 /nfs/dbraw/zinc/13/23/58/158132358.db2.gz IEKSMINDYBBYFB-ZDUSSCGKSA-N 0 0 319.409 0.132 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000108263830 158135656 /nfs/dbraw/zinc/13/56/56/158135656.db2.gz MDBDIXNSONEVMX-GFCCVEGCSA-N 0 0 309.370 0.822 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN1c1nccs1 ZINC000110627006 158138569 /nfs/dbraw/zinc/13/85/69/158138569.db2.gz MOQCPDCNXQUNQM-GHMZBOCLSA-N 0 0 308.407 0.897 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)CCn3cncn3)CC2)no1 ZINC000110946836 158138577 /nfs/dbraw/zinc/13/85/77/158138577.db2.gz VJJSTJUQKKWFHM-UHFFFAOYSA-N 0 0 319.369 0.094 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCn2cccn2)C[C@@H](C)O1 ZINC000111357293 158141298 /nfs/dbraw/zinc/14/12/98/158141298.db2.gz FCRHJHKWXSPEEC-VXGBXAGGSA-N 0 0 302.400 0.169 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CSCC(N)=O ZINC000112559572 158142871 /nfs/dbraw/zinc/14/28/71/158142871.db2.gz WECGBGDFXHHCTL-LLVKDONJSA-N 0 0 310.423 0.919 10 0 DCAERN CN1C[C@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000114312982 158151959 /nfs/dbraw/zinc/15/19/59/158151959.db2.gz KCWXLDQZNFXIEC-OCCSQVGLSA-N 0 0 315.373 0.777 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000114442816 158152672 /nfs/dbraw/zinc/15/26/72/158152672.db2.gz FQHABKRQHRFBHO-ZDUSSCGKSA-N 0 0 315.373 0.824 10 0 DCAERN Cc1ccn2ncc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)c2n1 ZINC000114856842 158157678 /nfs/dbraw/zinc/15/76/78/158157678.db2.gz DJLIDYWGODTVGV-CYBMUJFWSA-N 0 0 315.377 0.631 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](NC(=O)OC)C(C)C)CC2 ZINC000114871634 158158923 /nfs/dbraw/zinc/15/89/23/158158923.db2.gz HYOOBHASZFJTNG-GXFFZTMASA-N 0 0 323.397 0.652 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCC(=O)NC(C)C)CC2 ZINC000114866548 158159162 /nfs/dbraw/zinc/15/91/62/158159162.db2.gz CBRVMJKEFVWDBK-GFCCVEGCSA-N 0 0 321.425 0.966 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000114897994 158159361 /nfs/dbraw/zinc/15/93/61/158159361.db2.gz NKHZEGUTCACVHZ-NEPJUHHUSA-N 0 0 305.382 0.282 10 0 DCAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116318140 158165632 /nfs/dbraw/zinc/16/56/32/158165632.db2.gz ISSYTUJAIYGFTK-QWRGUYRKSA-N 0 0 316.413 0.804 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891549 158169117 /nfs/dbraw/zinc/16/91/17/158169117.db2.gz MGLXXLFFISMYOK-TUAOUCFPSA-N 0 0 305.444 0.303 10 0 DCAERN CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1CCOC ZINC000117300051 158171704 /nfs/dbraw/zinc/17/17/04/158171704.db2.gz OSCKNQDQJFNMRP-ZDUSSCGKSA-N 0 0 320.455 0.380 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C ZINC000117397420 158171872 /nfs/dbraw/zinc/17/18/72/158171872.db2.gz ZBJFBTWRTBMQTJ-ZDUSSCGKSA-N 0 0 322.409 0.960 10 0 DCAERN CCCNC(=O)CNS(=O)(=O)Cc1cccc(OC)c1 ZINC000117904130 158174760 /nfs/dbraw/zinc/17/47/60/158174760.db2.gz YXTQFCDQAWJOEI-UHFFFAOYSA-N 0 0 300.380 0.641 10 0 DCAERN COCc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117831912 158174762 /nfs/dbraw/zinc/17/47/62/158174762.db2.gz WVTOJZNESHMBSO-LBPRGKRZSA-N 0 0 318.333 0.695 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)[C@@H](C)COC)C1 ZINC000117915878 158174825 /nfs/dbraw/zinc/17/48/25/158174825.db2.gz NRDVRUBIAARYNT-RYUDHWBXSA-N 0 0 306.428 0.732 10 0 DCAERN O=C(c1cccnc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119927860 158190240 /nfs/dbraw/zinc/19/02/40/158190240.db2.gz KDNZHXIDMYNYQH-ZDUSSCGKSA-N 0 0 309.391 0.722 10 0 DCAERN CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000120016234 158191691 /nfs/dbraw/zinc/19/16/91/158191691.db2.gz HAPWEGDFUQTNPH-LLVKDONJSA-N 0 0 318.333 0.871 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000120240260 158194767 /nfs/dbraw/zinc/19/47/67/158194767.db2.gz ZACHDRDEGHDXOI-UHFFFAOYSA-N 0 0 306.326 0.820 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000120306026 158196400 /nfs/dbraw/zinc/19/64/00/158196400.db2.gz SQROQRQOUXFYDS-GFCCVEGCSA-N 0 0 324.348 0.995 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000120348460 158198038 /nfs/dbraw/zinc/19/80/38/158198038.db2.gz AFKKHGNQVLIASI-KXUCPTDWSA-N 0 0 312.395 0.797 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1F ZINC000120511052 158199450 /nfs/dbraw/zinc/19/94/50/158199450.db2.gz SSAJTXUKVSRMCX-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN O=C(NCC(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000121035317 158206370 /nfs/dbraw/zinc/20/63/70/158206370.db2.gz BYWWATFWWTWLKT-VIFPVBQESA-N 0 0 311.354 0.461 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000121098072 158208044 /nfs/dbraw/zinc/20/80/44/158208044.db2.gz HVZSOMKHXIHVNT-LBPRGKRZSA-N 0 0 324.381 0.927 10 0 DCAERN O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000122024657 158217751 /nfs/dbraw/zinc/21/77/51/158217751.db2.gz LYEBUSUYRDKEPM-ZIAGYGMSSA-N 0 0 321.425 0.413 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[C@H](O)CC ZINC000122778890 158223940 /nfs/dbraw/zinc/22/39/40/158223940.db2.gz YYXIOHOKPGRSQZ-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000123255077 158228409 /nfs/dbraw/zinc/22/84/09/158228409.db2.gz SNYBEPHVLHIHOI-BLLLJJGKSA-N 0 0 320.393 0.821 10 0 DCAERN CCN1C[C@@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1=O ZINC000123353654 158229237 /nfs/dbraw/zinc/22/92/37/158229237.db2.gz HXSNNBUJACMHDU-JSGCOSHPSA-N 0 0 303.362 0.930 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCNC(=O)CC1 ZINC000124664030 158245058 /nfs/dbraw/zinc/24/50/58/158245058.db2.gz YHFOGDLEOXTQPM-CQSZACIVSA-N 0 0 315.373 0.384 10 0 DCAERN CN(C(=O)N[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000125322867 158253840 /nfs/dbraw/zinc/25/38/40/158253840.db2.gz QLYXTIKVVPAMCF-PWSUYJOCSA-N 0 0 310.375 0.949 10 0 DCAERN CC[C@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCN1CC(F)F ZINC000125427877 158254691 /nfs/dbraw/zinc/25/46/91/158254691.db2.gz IVDKOZOHVWISQK-JTQLQIEISA-N 0 0 316.352 0.783 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@H](c3ccco3)C2)CCC1=O ZINC000126079851 158262052 /nfs/dbraw/zinc/26/20/52/158262052.db2.gz GFQYZTAQPHTENK-YPMHNXCESA-N 0 0 307.350 0.983 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c2n1 ZINC000126498824 158266084 /nfs/dbraw/zinc/26/60/84/158266084.db2.gz PLDJLEYLRRZQLF-JTQLQIEISA-N 0 0 310.379 0.591 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000126993261 158270293 /nfs/dbraw/zinc/27/02/93/158270293.db2.gz RNBGRECMSSCNPC-IQJOONFLSA-N 0 0 300.380 0.627 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](C2CC2)N2CCCC2)CCS1(=O)=O ZINC000127247478 158271178 /nfs/dbraw/zinc/27/11/78/158271178.db2.gz ZAWFCCQGGVZOHV-WCQYABFASA-N 0 0 300.424 0.506 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000127529245 158273838 /nfs/dbraw/zinc/27/38/38/158273838.db2.gz LSIDRSBYQJIVPO-YPMHNXCESA-N 0 0 306.362 0.884 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@@H](C)O1 ZINC000128282868 158279904 /nfs/dbraw/zinc/27/99/04/158279904.db2.gz GMMJSVTXHNFOQA-ZWNOBZJWSA-N 0 0 307.350 0.622 10 0 DCAERN COc1cccc([C@@H]2CN([C@H]3CC(=O)N(C)C3=O)CCO2)c1 ZINC000130467915 158295677 /nfs/dbraw/zinc/29/56/77/158295677.db2.gz VBDRIUNUTSZNDY-KBPBESRZSA-N 0 0 304.346 0.826 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)CCC1=O ZINC000131086624 158298505 /nfs/dbraw/zinc/29/85/05/158298505.db2.gz QXWNBQOXQIBZSK-LBPRGKRZSA-N 0 0 301.346 0.922 10 0 DCAERN CN1CCC[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132526864 158312028 /nfs/dbraw/zinc/31/20/28/158312028.db2.gz HZNNKDCMZXWQMK-SECBINFHSA-N 0 0 302.421 0.976 10 0 DCAERN Cc1nc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(=O)[nH]c1C ZINC000133162510 158317092 /nfs/dbraw/zinc/31/70/92/158317092.db2.gz PCGUXJMHXDEHKI-UHFFFAOYSA-N 0 0 315.333 0.807 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1=NNC(=O)CC1)CC2 ZINC000133492217 158319203 /nfs/dbraw/zinc/31/92/03/158319203.db2.gz HWZUMLNTRVMRTH-SECBINFHSA-N 0 0 304.354 0.099 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1cnn(C)c1)CC2 ZINC000133641774 158321139 /nfs/dbraw/zinc/32/11/39/158321139.db2.gz NPUHUJBJPRLABZ-GFCCVEGCSA-N 0 0 302.382 0.809 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1F ZINC000133792685 158322256 /nfs/dbraw/zinc/32/22/56/158322256.db2.gz VRZTWXKVUYDFSZ-UHFFFAOYSA-N 0 0 307.325 0.675 10 0 DCAERN CCCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703603 158330261 /nfs/dbraw/zinc/33/02/61/158330261.db2.gz KFDLDAAQVFNPOJ-GFCCVEGCSA-N 0 0 324.468 0.616 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@H](Oc3cccnc3)C2)CCC1=O ZINC000134770648 158330811 /nfs/dbraw/zinc/33/08/11/158330811.db2.gz TWGLERGJDPWYAW-JSGCOSHPSA-N 0 0 318.377 0.865 10 0 DCAERN CC(C)[C@H](NC(=O)NCCN1CCc2sccc2C1)C(N)=O ZINC000134926487 158333060 /nfs/dbraw/zinc/33/30/60/158333060.db2.gz ZDVVPAKXBMWPEY-ZDUSSCGKSA-N 0 0 324.450 0.915 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135259224 158335108 /nfs/dbraw/zinc/33/51/08/158335108.db2.gz YLRIWXXIUJQBEP-GXTWGEPZSA-N 0 0 304.346 0.818 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000135323480 158335244 /nfs/dbraw/zinc/33/52/44/158335244.db2.gz SOSOAVCEUKORJU-SNVBAGLBSA-N 0 0 307.398 0.954 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1csc(N(C)C2CC2)n1 ZINC000137258880 158345502 /nfs/dbraw/zinc/34/55/02/158345502.db2.gz DAEFKPKHYOWYKJ-NEPJUHHUSA-N 0 0 311.407 0.850 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000152669642 158349818 /nfs/dbraw/zinc/34/98/18/158349818.db2.gz OJHGLJAITJLPGO-MNOVXSKESA-N 0 0 306.366 0.859 10 0 DCAERN COc1cc(F)c(C(=O)N2CCN(CCO)CC2)cc1OC ZINC000162655667 158360830 /nfs/dbraw/zinc/36/08/30/158360830.db2.gz NKFUWKKNMQJSEE-UHFFFAOYSA-N 0 0 312.341 0.593 10 0 DCAERN C[C@H](NC(=O)[C@@H]1COCCN1)c1cn(-c2ccccc2)nn1 ZINC000163149837 158361438 /nfs/dbraw/zinc/36/14/38/158361438.db2.gz BRTGGSZVNKKAKQ-FZMZJTMJSA-N 0 0 301.350 0.433 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1OC ZINC000170216300 158373855 /nfs/dbraw/zinc/37/38/55/158373855.db2.gz BTAXFKBTUYIJTA-QGZVFWFLSA-N 0 0 318.373 0.985 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CCCOC1 ZINC000170934820 158378311 /nfs/dbraw/zinc/37/83/11/158378311.db2.gz DLOVNLIFNBMNJW-MRVPVSSYSA-N 0 0 304.393 0.613 10 0 DCAERN COC(C)(C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000171597133 158384720 /nfs/dbraw/zinc/38/47/20/158384720.db2.gz MNHOIZHNALVCLM-CQSZACIVSA-N 0 0 302.440 0.736 10 0 DCAERN O=C(NCCCN1CCOCC1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171745322 158386899 /nfs/dbraw/zinc/38/68/99/158386899.db2.gz ZTBWPTLTLVRLGE-HZPDHXFCSA-N 0 0 319.405 0.666 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249866 158391756 /nfs/dbraw/zinc/39/17/56/158391756.db2.gz UFZCXYXVLBUPET-AWEZNQCLSA-N 0 0 300.362 0.927 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)OC)CC2 ZINC000172299957 158393236 /nfs/dbraw/zinc/39/32/36/158393236.db2.gz UVXFZKGUCNXNSD-SNVBAGLBSA-N 0 0 309.370 0.408 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354109 158394237 /nfs/dbraw/zinc/39/42/37/158394237.db2.gz OHRKPPYYSWTHMD-ZBFHGGJFSA-N 0 0 302.374 0.970 10 0 DCAERN CCOC(=O)NCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172419218 158394309 /nfs/dbraw/zinc/39/43/09/158394309.db2.gz AGPWNMIJSMTTFB-SNVBAGLBSA-N 0 0 309.370 0.579 10 0 DCAERN CC(C)[C@H](C)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000172501184 158395000 /nfs/dbraw/zinc/39/50/00/158395000.db2.gz VJOXQEFVEPLYSY-GFCCVEGCSA-N 0 0 324.425 0.411 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)C(=O)N(C)C)CC2 ZINC000172548362 158395488 /nfs/dbraw/zinc/39/54/88/158395488.db2.gz AVDSORFIYOYBJC-MNOVXSKESA-N 0 0 322.413 0.492 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745161 158398395 /nfs/dbraw/zinc/39/83/95/158398395.db2.gz VEELEMSSTDUKOH-QWHCGFSZSA-N 0 0 321.377 0.331 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCN(Cc2ccon2)CC1 ZINC000173660057 158408394 /nfs/dbraw/zinc/40/83/94/158408394.db2.gz HDHNISZDCLWCCB-ZDUSSCGKSA-N 0 0 315.395 0.301 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000177626288 158448837 /nfs/dbraw/zinc/44/88/37/158448837.db2.gz CIDOZDZDKUYAML-LLVKDONJSA-N 0 0 317.324 0.795 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000178062005 158453460 /nfs/dbraw/zinc/45/34/60/158453460.db2.gz FEIPTUPAQCXMCQ-UHFFFAOYSA-N 0 0 310.375 0.871 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179167446 158470102 /nfs/dbraw/zinc/47/01/02/158470102.db2.gz BREHEVYMAPORON-BLLLJJGKSA-N 0 0 320.393 0.821 10 0 DCAERN Cc1csc([C@@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC000179523351 158473260 /nfs/dbraw/zinc/47/32/60/158473260.db2.gz HBKPWLRTCIZOEX-LLVKDONJSA-N 0 0 321.406 0.753 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000179558861 158473531 /nfs/dbraw/zinc/47/35/31/158473531.db2.gz WGLKJLAMKDXMRD-PWSUYJOCSA-N 0 0 312.391 0.607 10 0 DCAERN Cn1cnc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000179736172 158475480 /nfs/dbraw/zinc/47/54/80/158475480.db2.gz RRMXVVMZQXUNOV-ZDUSSCGKSA-N 0 0 313.361 0.736 10 0 DCAERN CN(C)c1ncc(NC(=O)CC(=O)NCC(F)(F)F)cn1 ZINC000182152394 158490833 /nfs/dbraw/zinc/49/08/33/158490833.db2.gz WNTNYWUWSFVMAO-UHFFFAOYSA-N 0 0 305.260 0.550 10 0 DCAERN CC[C@H](NC(=O)N1CCO[C@@H](C(=O)NC)C1)c1nccs1 ZINC000182676326 158494237 /nfs/dbraw/zinc/49/42/37/158494237.db2.gz VNILVPKDWRBKJA-VHSXEESVSA-N 0 0 312.395 0.751 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185247637 158517546 /nfs/dbraw/zinc/51/75/46/158517546.db2.gz LKLPXAZEEXOPQE-NRFANRHFSA-N 0 0 317.455 0.845 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186204880 158528803 /nfs/dbraw/zinc/52/88/03/158528803.db2.gz DRWVRSXOTMFZRK-VXGBXAGGSA-N 0 0 318.377 0.745 10 0 DCAERN CNC(=O)CC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000187577802 158538803 /nfs/dbraw/zinc/53/88/03/158538803.db2.gz OKVFMRVNASUZBX-UHFFFAOYSA-N 0 0 308.353 0.858 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000187547524 158539681 /nfs/dbraw/zinc/53/96/81/158539681.db2.gz CWKKXXJKLUBTTC-UHFFFAOYSA-N 0 0 302.334 0.838 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@@H](C)CO ZINC000187908960 158541303 /nfs/dbraw/zinc/54/13/03/158541303.db2.gz KETNGGKUHOODDR-NSHDSACASA-N 0 0 302.334 0.616 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CCCN(C)C(=O)C1)c2=O ZINC000188166157 158543037 /nfs/dbraw/zinc/54/30/37/158543037.db2.gz NZIPDKSLJBOVOC-UHFFFAOYSA-N 0 0 314.345 0.307 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1cn2ccnc2s1 ZINC000188400221 158544494 /nfs/dbraw/zinc/54/44/94/158544494.db2.gz KGSXJTDVCMTJBJ-UHFFFAOYSA-N 0 0 316.408 0.455 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000188863269 158548068 /nfs/dbraw/zinc/54/80/68/158548068.db2.gz PTZOFMSLQDMXCC-RKDXNWHRSA-N 0 0 321.299 0.134 10 0 DCAERN C[C@H](NC(=O)N1CC(CO)C1)c1cn(-c2ccccc2)nn1 ZINC000189586291 158553694 /nfs/dbraw/zinc/55/36/94/158553694.db2.gz SDAPXHZYLOVSHX-NSHDSACASA-N 0 0 301.350 0.962 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCN(CC)C(=O)C1 ZINC000189612715 158553834 /nfs/dbraw/zinc/55/38/34/158553834.db2.gz WZIDFOJHNXEZCI-UHFFFAOYSA-N 0 0 322.365 0.565 10 0 DCAERN CN1C[C@H](C(=O)NCCN2CCc3ccccc3C2=O)CC1=O ZINC000190206054 158558255 /nfs/dbraw/zinc/55/82/55/158558255.db2.gz IYZYNKVTZCHMFG-CYBMUJFWSA-N 0 0 315.373 0.279 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cnc1Cl ZINC000190993407 158564887 /nfs/dbraw/zinc/56/48/87/158564887.db2.gz VURDKVOPEBDKLB-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@H](C)OC ZINC000192929441 158578545 /nfs/dbraw/zinc/57/85/45/158578545.db2.gz GLHZFJQJLRBUJS-VHSXEESVSA-N 0 0 302.400 0.630 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCCO ZINC000193056101 158580187 /nfs/dbraw/zinc/58/01/87/158580187.db2.gz UQODXDROAIFFFF-LBPRGKRZSA-N 0 0 306.428 0.469 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000195275066 158608239 /nfs/dbraw/zinc/60/82/39/158608239.db2.gz OJWYBXDIPUOWHZ-MNOVXSKESA-N 0 0 316.427 0.671 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000224866604 158616992 /nfs/dbraw/zinc/61/69/92/158616992.db2.gz NQPZTBPOPFOGMA-QRTLGDNMSA-N 0 0 310.375 0.410 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](CO)OC(C)(C)C2)C1 ZINC000228937040 158620855 /nfs/dbraw/zinc/62/08/55/158620855.db2.gz BSINPJHWYIVWBR-NEPJUHHUSA-N 0 0 306.428 0.435 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@H]1CSC(=O)N1 ZINC000245887052 158654911 /nfs/dbraw/zinc/65/49/11/158654911.db2.gz XVZTTZBMSYOPLY-PSASIEDQSA-N 0 0 310.354 0.741 10 0 DCAERN CCNS(=O)(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246618514 158668930 /nfs/dbraw/zinc/66/89/30/158668930.db2.gz IFUOTSZLGFAQCI-SKDRFNHKSA-N 0 0 306.334 0.927 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000247292032 158680063 /nfs/dbraw/zinc/68/00/63/158680063.db2.gz HCYSCCMOVOLICI-HZSPNIEDSA-N 0 0 316.357 0.928 10 0 DCAERN O=C(CN1CCC[C@]12CCOC2=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249557011 158708535 /nfs/dbraw/zinc/70/85/35/158708535.db2.gz KDYWOMLNRVESOO-JJRVBVJISA-N 0 0 322.405 0.938 10 0 DCAERN CO[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1OC ZINC000328641248 159016601 /nfs/dbraw/zinc/01/66/01/159016601.db2.gz FLMZOSUTCDHBQG-YNEHKIRRSA-N 0 0 308.382 0.261 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCN(C3CC3)C(=O)C2)C1 ZINC000328657508 159017932 /nfs/dbraw/zinc/01/79/32/159017932.db2.gz PDIKQIJVERJKRE-NSHDSACASA-N 0 0 308.382 0.067 10 0 DCAERN O=C1[C@@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678218 159020680 /nfs/dbraw/zinc/02/06/80/159020680.db2.gz SRDHGIDENMIUNP-AAEUAGOBSA-N 0 0 322.327 0.765 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328687683 159021596 /nfs/dbraw/zinc/02/15/96/159021596.db2.gz ZHOXWNJOUKNDEC-NSHDSACASA-N 0 0 311.382 0.591 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000328700175 159022263 /nfs/dbraw/zinc/02/22/63/159022263.db2.gz VZSQPDVNMIKUTK-FUHWJXTLSA-N 0 0 318.417 0.870 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000328735714 159025700 /nfs/dbraw/zinc/02/57/00/159025700.db2.gz ZEVTUSWWOVKQNW-NWDGAFQWSA-N 0 0 320.324 0.941 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)n1 ZINC000328740019 159025883 /nfs/dbraw/zinc/02/58/83/159025883.db2.gz IHFGHWGVTSDZGL-CYBMUJFWSA-N 0 0 303.362 0.856 10 0 DCAERN C[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCCC1=O ZINC000328791247 159029674 /nfs/dbraw/zinc/02/96/74/159029674.db2.gz ZEHKYYUVCFOQCS-VXGBXAGGSA-N 0 0 316.423 0.423 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)c2scnc2C2CC2)C1 ZINC000328808383 159031560 /nfs/dbraw/zinc/03/15/60/159031560.db2.gz ABIGXHIYJWKYBL-UHFFFAOYSA-N 0 0 309.391 0.950 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858566 159034918 /nfs/dbraw/zinc/03/49/18/159034918.db2.gz DORYZHBAIGWORD-GJZGRUSLSA-N 0 0 312.410 0.504 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884746 159037966 /nfs/dbraw/zinc/03/79/66/159037966.db2.gz OAQOJQMIJBGAAW-CMPLNLGQSA-N 0 0 306.391 0.941 10 0 DCAERN Cc1cc(COCC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)on1 ZINC000328905461 159040250 /nfs/dbraw/zinc/04/02/50/159040250.db2.gz KAKPRLBUXJZLAT-KGLIPLIRSA-N 0 0 309.366 0.431 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328918049 159041277 /nfs/dbraw/zinc/04/12/77/159041277.db2.gz KYPSSSHUHTTZCO-OLZOCXBDSA-N 0 0 313.427 0.862 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N(C)CCN1CCOCC1 ZINC000328927416 159043041 /nfs/dbraw/zinc/04/30/41/159043041.db2.gz XCJQPHXRWJBQKL-LBPRGKRZSA-N 0 0 315.439 0.089 10 0 DCAERN O=S1(=O)CC[C@H]2CN(Cc3nncn3-c3ccccc3)C[C@H]21 ZINC000329198367 159072702 /nfs/dbraw/zinc/07/27/02/159072702.db2.gz VOQBIJKEHOFFQQ-GXTWGEPZSA-N 0 0 318.402 0.886 10 0 DCAERN O=C(N1CCC[C@@](F)(CO)C1)C1(N2CCOCC2)CCC1 ZINC000329238604 159075939 /nfs/dbraw/zinc/07/59/39/159075939.db2.gz PUGBMVRUSYFKNP-AWEZNQCLSA-N 0 0 300.374 0.564 10 0 DCAERN C[C@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)CCS1(=O)=O ZINC000329274654 159078501 /nfs/dbraw/zinc/07/85/01/159078501.db2.gz JLWFZOMAOAUSPJ-JTQLQIEISA-N 0 0 307.375 0.751 10 0 DCAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000329287153 159079471 /nfs/dbraw/zinc/07/94/71/159079471.db2.gz MHXIQINVYOUMJQ-JTQLQIEISA-N 0 0 311.367 0.946 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)c1ncncc1Cl)C2 ZINC000329295857 159080196 /nfs/dbraw/zinc/08/01/96/159080196.db2.gz KGKUKHCHZKTQTB-UHFFFAOYSA-N 0 0 319.752 0.905 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@]3(C)CCCOC3)CCO2)n1 ZINC000329342699 159084010 /nfs/dbraw/zinc/08/40/10/159084010.db2.gz PSVGWEUTTDESRX-ZBFHGGJFSA-N 0 0 322.409 0.939 10 0 DCAERN COCCN1C[C@H](C(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)CC1=O ZINC000329352904 159084268 /nfs/dbraw/zinc/08/42/68/159084268.db2.gz XVAPFULFHDKXON-UNEWFSDZSA-N 0 0 324.421 0.897 10 0 DCAERN COCCN1C[C@H](C(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)CC1=O ZINC000329352901 159084888 /nfs/dbraw/zinc/08/48/88/159084888.db2.gz XVAPFULFHDKXON-KMFMINBZSA-N 0 0 324.421 0.897 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCSC[C@H]2C)nn1 ZINC000329349432 159084918 /nfs/dbraw/zinc/08/49/18/159084918.db2.gz WLPJDTKENYJJRZ-YUSALJHKSA-N 0 0 312.395 0.442 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@@H](C)O ZINC000329379837 159087323 /nfs/dbraw/zinc/08/73/23/159087323.db2.gz NDPILQHHGMSLHE-REBRKWNGSA-N 0 0 312.410 0.510 10 0 DCAERN CCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000329420135 159091521 /nfs/dbraw/zinc/09/15/21/159091521.db2.gz HEEKITDSAOOTMF-UONOGXRCSA-N 0 0 309.410 0.321 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2nc(CC3CCC3)no2)CC1 ZINC000329580345 159104507 /nfs/dbraw/zinc/10/45/07/159104507.db2.gz KZDRQESNQLDLLK-UHFFFAOYSA-N 0 0 314.411 0.489 10 0 DCAERN CC[C@]1(C)COCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329658882 159110066 /nfs/dbraw/zinc/11/00/66/159110066.db2.gz NVQWJZKCNJXPKZ-UMVBOHGHSA-N 0 0 324.381 0.506 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659518 159110171 /nfs/dbraw/zinc/11/01/71/159110171.db2.gz OCHBWIMLLMEKLW-MCIONIFRSA-N 0 0 314.451 0.896 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@H](C3CC3)C2)nn1 ZINC000329677235 159110792 /nfs/dbraw/zinc/11/07/92/159110792.db2.gz WPSFYWFVCXFSJY-IACUBPJLSA-N 0 0 306.366 0.737 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3snnc3C3CC3)C[C@H]21 ZINC000329737760 159115852 /nfs/dbraw/zinc/11/58/52/159115852.db2.gz TXNJPVGPMUUBSH-MNOVXSKESA-N 0 0 308.407 0.961 10 0 DCAERN C[C@H](Sc1nncn1C)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329744312 159116414 /nfs/dbraw/zinc/11/64/14/159116414.db2.gz XSVTWLKUEHJDJA-VHSXEESVSA-N 0 0 321.410 0.724 10 0 DCAERN CCc1ocnc1C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000329768079 159118828 /nfs/dbraw/zinc/11/88/28/159118828.db2.gz GFVSGDSNQFCDCW-GFCCVEGCSA-N 0 0 319.365 0.987 10 0 DCAERN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(Cc1nc(=O)n(C)[nH]1)C2=O ZINC000329787421 159120399 /nfs/dbraw/zinc/12/03/99/159120399.db2.gz RDPXSNBJEQAORE-IUCAKERBSA-N 0 0 307.354 0.560 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821264 159121591 /nfs/dbraw/zinc/12/15/91/159121591.db2.gz HCLNKQVIPJNCJH-STQMWFEESA-N 0 0 303.428 0.168 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000329851528 159123804 /nfs/dbraw/zinc/12/38/04/159123804.db2.gz TVNUZTBKRQPAAH-GFCCVEGCSA-N 0 0 318.381 0.940 10 0 DCAERN CCN1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O ZINC000329947494 159131053 /nfs/dbraw/zinc/13/10/53/159131053.db2.gz KCZNNWHDZNHEQC-IUODEOHRSA-N 0 0 320.393 0.579 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330046516 159137932 /nfs/dbraw/zinc/13/79/32/159137932.db2.gz DYKVNAHYEJJNKS-JQWIXIFHSA-N 0 0 300.384 0.131 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)N3CC(O)(C4CC4)C3)cnc12 ZINC000330080045 159140325 /nfs/dbraw/zinc/14/03/25/159140325.db2.gz JAZKYNHJMDARIQ-UHFFFAOYSA-N 0 0 313.357 0.688 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCS1(=O)=O ZINC000330110384 159142663 /nfs/dbraw/zinc/14/26/63/159142663.db2.gz QLLWGYRXDLBWOH-KWCYVHTRSA-N 0 0 324.402 0.805 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C[C@H]1OC ZINC000330183811 159149135 /nfs/dbraw/zinc/14/91/35/159149135.db2.gz IEROUTKRWHZBJO-REWJHTLYSA-N 0 0 309.366 0.370 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000330207335 159150402 /nfs/dbraw/zinc/15/04/02/159150402.db2.gz FYYRFBPQTLJFEK-WDEREUQCSA-N 0 0 302.400 0.798 10 0 DCAERN O=C(NCCN1CCCS1(=O)=O)c1ccc2c(n1)CCCC2 ZINC000330231819 159152815 /nfs/dbraw/zinc/15/28/15/159152815.db2.gz XBIVCQWVWDNTDJ-UHFFFAOYSA-N 0 0 323.418 0.726 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330319918 159160004 /nfs/dbraw/zinc/16/00/04/159160004.db2.gz DRHBEBUEKBDDSJ-GZBFAFLISA-N 0 0 322.409 0.023 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)COc2cccc(F)c2)C1 ZINC000330463197 159177447 /nfs/dbraw/zinc/17/74/47/159177447.db2.gz NHDLIIQIJIIHRE-LLVKDONJSA-N 0 0 302.327 0.094 10 0 DCAERN COCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1 ZINC000330544658 159189614 /nfs/dbraw/zinc/18/96/14/159189614.db2.gz ULYNXGUDOKXSIX-STQMWFEESA-N 0 0 317.382 0.969 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 ZINC000330572263 159195745 /nfs/dbraw/zinc/19/57/45/159195745.db2.gz OMRAXYGMYLEJGJ-QWRGUYRKSA-N 0 0 316.354 0.140 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000330609315 159201712 /nfs/dbraw/zinc/20/17/12/159201712.db2.gz NTJSURPMTVERNE-BFHYXJOUSA-N 0 0 314.426 0.519 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C1 ZINC000332879109 159216704 /nfs/dbraw/zinc/21/67/04/159216704.db2.gz REUDJKYHSFHUQY-APIJFGDWSA-N 0 0 324.421 0.803 10 0 DCAERN O=C(Nc1ccc(-n2cnnn2)cc1)N1CC(n2ccnn2)C1 ZINC000358476368 159255505 /nfs/dbraw/zinc/25/55/05/159255505.db2.gz WLXOFXWYRZUFLI-UHFFFAOYSA-N 0 0 311.309 0.343 10 0 DCAERN O=C(NCCc1nnc[nH]1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000359747161 159264726 /nfs/dbraw/zinc/26/47/26/159264726.db2.gz BYMSGHRPTAILLL-LLVKDONJSA-N 0 0 317.349 0.751 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1=O ZINC000366833130 159291659 /nfs/dbraw/zinc/29/16/59/159291659.db2.gz UTULLCYHQCFDNW-XGFWRYKXSA-N 0 0 309.410 0.798 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)C[C@H]2C)c1 ZINC000367176130 159318853 /nfs/dbraw/zinc/31/88/53/159318853.db2.gz GWARYNZMBZLRBD-LLVKDONJSA-N 0 0 324.402 0.831 10 0 DCAERN CN(C)S(=O)(=O)CCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367222549 159323353 /nfs/dbraw/zinc/32/33/53/159323353.db2.gz CVHMURBUKXXQFO-LLVKDONJSA-N 0 0 314.411 0.628 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367422246 159337738 /nfs/dbraw/zinc/33/77/38/159337738.db2.gz FCPGPRAOYHVJJL-WDEREUQCSA-N 0 0 313.379 0.855 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000367599117 159346216 /nfs/dbraw/zinc/34/62/16/159346216.db2.gz XPROUFZKLWZAJZ-CKYFFXLPSA-N 0 0 322.386 0.947 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000367628886 159347764 /nfs/dbraw/zinc/34/77/64/159347764.db2.gz ACUVIABJWROJLP-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOCC[C@@H]2C)cc1C(N)=O ZINC000367754298 159354521 /nfs/dbraw/zinc/35/45/21/159354521.db2.gz OEUOFTIJGPYCIE-NSHDSACASA-N 0 0 312.391 0.893 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](CO)C1 ZINC000368043328 159372082 /nfs/dbraw/zinc/37/20/82/159372082.db2.gz GLKOANYRCQXDBI-YNEHKIRRSA-N 0 0 318.439 0.756 10 0 DCAERN Cc1noc(-c2ccc(N[C@H]3CCCN(CCO)C3=O)nc2)n1 ZINC000368488955 159397771 /nfs/dbraw/zinc/39/77/71/159397771.db2.gz VSOKWVSYAKUSLQ-LBPRGKRZSA-N 0 0 317.349 0.835 10 0 DCAERN CC(C)(C)OC(=O)NCCCC(=O)N1CC(n2ccnn2)C1 ZINC000368603045 159405273 /nfs/dbraw/zinc/40/52/73/159405273.db2.gz PSHHWNSDTMUNNR-UHFFFAOYSA-N 0 0 309.370 0.966 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H](O)C2(CC2)C1 ZINC000368785926 159417510 /nfs/dbraw/zinc/41/75/10/159417510.db2.gz GPYNFBOTNADVHA-AAEUAGOBSA-N 0 0 304.346 0.611 10 0 DCAERN COC(=O)CCCc1nc(CN2CCN3CCOC[C@H]3C2)no1 ZINC000368823199 159420293 /nfs/dbraw/zinc/42/02/93/159420293.db2.gz HUZRQCCWZUMXBM-GFCCVEGCSA-N 0 0 324.381 0.082 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000370064955 159495770 /nfs/dbraw/zinc/49/57/70/159495770.db2.gz LPQABOPYIWXKHU-DGCLKSJQSA-N 0 0 311.382 0.197 10 0 DCAERN COc1cccc(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)c1 ZINC000372302446 159615324 /nfs/dbraw/zinc/61/53/24/159615324.db2.gz PHDBVBJDJAIYHI-OAHLLOKOSA-N 0 0 304.302 0.589 10 0 DCAERN O=C(CO)N1CCN(C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000372423994 159623095 /nfs/dbraw/zinc/62/30/95/159623095.db2.gz AMOGJLMYTMGSES-UHFFFAOYSA-N 0 0 319.361 0.680 10 0 DCAERN Cc1ccc2ncc(C(=O)N3C[C@@H](F)C[C@@H]3CO)c(=O)n2c1 ZINC000372503342 159628120 /nfs/dbraw/zinc/62/81/20/159628120.db2.gz JGTWTUCEPCSQQW-WDEREUQCSA-N 0 0 305.309 0.548 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCOCC[C@@H]2C)ccc1C(N)=O ZINC000372674777 159637083 /nfs/dbraw/zinc/63/70/83/159637083.db2.gz JDVHUMGUYLMJAN-NSHDSACASA-N 0 0 319.361 0.670 10 0 DCAERN CN(Cc1cn2c(n1)CCCC2)C[C@H](O)CN1CCOCC1 ZINC000372989724 159654696 /nfs/dbraw/zinc/65/46/96/159654696.db2.gz JYURKILXGJDQSV-HNNXBMFYSA-N 0 0 308.426 0.344 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC000373838536 159701645 /nfs/dbraw/zinc/70/16/45/159701645.db2.gz YZUNDRXPNJRPKA-LURJTMIESA-N 0 0 309.800 0.690 10 0 DCAERN COc1cncc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000374759757 159750599 /nfs/dbraw/zinc/75/05/99/159750599.db2.gz OAHPTVDIBBRZGI-RISCZKNCSA-N 0 0 321.377 0.783 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000375114450 159772068 /nfs/dbraw/zinc/77/20/68/159772068.db2.gz MGFOLNNFLDDFIK-HIFRSBDPSA-N 0 0 314.382 0.383 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377673417 159934213 /nfs/dbraw/zinc/93/42/13/159934213.db2.gz BPPFGCNWVODHMS-HUUCEWRRSA-N 0 0 315.373 0.609 10 0 DCAERN C[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CC(=O)N1C ZINC000407970715 159999942 /nfs/dbraw/zinc/99/99/42/159999942.db2.gz LTJVNTICTNTQRW-SNVBAGLBSA-N 0 0 302.396 0.033 10 0 DCAERN CO[C@H](C)c1nsc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000407976853 160000520 /nfs/dbraw/zinc/00/05/20/160000520.db2.gz POXUOCAYOGZHEC-HTQZYQBOSA-N 0 0 306.413 0.373 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCCSCC1 ZINC000407975519 160000524 /nfs/dbraw/zinc/00/05/24/160000524.db2.gz WYBBIKVKPAJXQQ-LLVKDONJSA-N 0 0 322.452 0.698 10 0 DCAERN CC1(C)C[C@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000407983793 160002856 /nfs/dbraw/zinc/00/28/56/160002856.db2.gz SPYDSYMFSAHEQS-GHMZBOCLSA-N 0 0 319.427 0.277 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC(C)(O)C2)[C@H]1c1cnn(C)c1 ZINC000407982871 160002909 /nfs/dbraw/zinc/00/29/09/160002909.db2.gz ABEIHFIOJIETHJ-GXTWGEPZSA-N 0 0 320.393 0.313 10 0 DCAERN Cc1nc(N2CCC([C@H](C)O)CC2)sc1S(N)(=O)=O ZINC000407986220 160003746 /nfs/dbraw/zinc/00/37/46/160003746.db2.gz SKKGXKJFWPXVCE-QMMMGPOBSA-N 0 0 305.425 0.696 10 0 DCAERN O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)CC(F)(F)F)C2)n[nH]1 ZINC000407989827 160004075 /nfs/dbraw/zinc/00/40/75/160004075.db2.gz LPDOWBFOKKOKPA-ZCFIWIBFSA-N 0 0 314.289 0.582 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000407990916 160004808 /nfs/dbraw/zinc/00/48/08/160004808.db2.gz RIFKOVATZBCVEU-GHMZBOCLSA-N 0 0 306.370 0.341 10 0 DCAERN Cc1[nH]n(C)c2nnc(NC(=O)C(=O)N3CCC[C@H](C)C3)c1-2 ZINC000407990548 160004832 /nfs/dbraw/zinc/00/48/32/160004832.db2.gz LUIDGUBQNWKNRQ-QMMMGPOBSA-N 0 0 304.354 0.802 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1(SC)CCOCC1 ZINC000407988792 160004892 /nfs/dbraw/zinc/00/48/92/160004892.db2.gz FXJMEARYEVERCD-NSHDSACASA-N 0 0 315.439 0.819 10 0 DCAERN CN1C(=O)CCc2cc(C(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000408011520 160010412 /nfs/dbraw/zinc/01/04/12/160010412.db2.gz XNMHEWJTKSNOCE-ZDUSSCGKSA-N 0 0 304.346 0.429 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000408016082 160011789 /nfs/dbraw/zinc/01/17/89/160011789.db2.gz HULIYWRJIOXHMX-GRYCIOLGSA-N 0 0 308.444 0.463 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000408019127 160013452 /nfs/dbraw/zinc/01/34/52/160013452.db2.gz DPTDJAWANABJIW-UHFFFAOYSA-N 0 0 301.350 0.898 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000408020664 160014158 /nfs/dbraw/zinc/01/41/58/160014158.db2.gz DWPZFCHULQYCOY-OLZOCXBDSA-N 0 0 306.366 0.017 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023612 160014577 /nfs/dbraw/zinc/01/45/77/160014577.db2.gz SZSNWPIBNXMIPW-UONOGXRCSA-N 0 0 318.377 0.722 10 0 DCAERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(F)c3)[C@@H]2C1 ZINC000408026389 160014701 /nfs/dbraw/zinc/01/47/01/160014701.db2.gz DQVXGUCGUPALQR-OLZOCXBDSA-N 0 0 315.370 0.314 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC(C)(C)O1 ZINC000408025922 160014844 /nfs/dbraw/zinc/01/48/44/160014844.db2.gz FEAVWTXZQYFOSN-NWDGAFQWSA-N 0 0 307.412 0.479 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408025010 160014847 /nfs/dbraw/zinc/01/48/47/160014847.db2.gz MIKKOWXHZZBGPK-UWVGGRQHSA-N 0 0 309.395 0.381 10 0 DCAERN NC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000408024060 160015084 /nfs/dbraw/zinc/01/50/84/160015084.db2.gz XQLMBIJHEFSWNN-UWVGGRQHSA-N 0 0 322.331 0.530 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000408027855 160015471 /nfs/dbraw/zinc/01/54/71/160015471.db2.gz MYULZCWJBIGXES-CYDGBPFRSA-N 0 0 306.428 0.291 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408028868 160015546 /nfs/dbraw/zinc/01/55/46/160015546.db2.gz GGBOQORXTGVCSX-XWLWVQCSSA-N 0 0 309.359 0.063 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000408030950 160017093 /nfs/dbraw/zinc/01/70/93/160017093.db2.gz OTWACRLQPUKSTO-PWSUYJOCSA-N 0 0 314.338 0.303 10 0 DCAERN Cc1noc([C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)n1 ZINC000408031726 160017100 /nfs/dbraw/zinc/01/71/00/160017100.db2.gz OWLPQMIPUZFWLA-GFCCVEGCSA-N 0 0 315.395 0.924 10 0 DCAERN CC(C)(C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1F ZINC000408032881 160017341 /nfs/dbraw/zinc/01/73/41/160017341.db2.gz DHWHZPXRKXVMPD-LBPRGKRZSA-N 0 0 319.336 0.866 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000408035596 160018379 /nfs/dbraw/zinc/01/83/79/160018379.db2.gz MWZGJLUYYWHFMR-XQQFMLRXSA-N 0 0 307.398 0.968 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000408041171 160020251 /nfs/dbraw/zinc/02/02/51/160020251.db2.gz BMRKVZYARXXHJT-HNNXBMFYSA-N 0 0 302.334 0.875 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCN1CC(F)F ZINC000408043762 160020426 /nfs/dbraw/zinc/02/04/26/160020426.db2.gz LGHUTKBBKNISRJ-QWRGUYRKSA-N 0 0 318.368 0.717 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1CC(F)F ZINC000408046799 160022931 /nfs/dbraw/zinc/02/29/31/160022931.db2.gz YDWHBVOENAHHQS-WDEREUQCSA-N 0 0 324.393 0.609 10 0 DCAERN O=C(c1ccncc1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051627 160023578 /nfs/dbraw/zinc/02/35/78/160023578.db2.gz ILHMLBKOVTWWCJ-OLZOCXBDSA-N 0 0 307.325 0.493 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@](C)(O)C1 ZINC000408052425 160024268 /nfs/dbraw/zinc/02/42/68/160024268.db2.gz OSVNDDZBIHMDGC-ABAIWWIYSA-N 0 0 323.397 0.816 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000408054944 160024363 /nfs/dbraw/zinc/02/43/63/160024363.db2.gz PYMGLOAWLZDDPS-CYBMUJFWSA-N 0 0 316.354 0.460 10 0 DCAERN Cc1occc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408054952 160025244 /nfs/dbraw/zinc/02/52/44/160025244.db2.gz VDIPMJSVACRHON-YPMHNXCESA-N 0 0 310.325 0.999 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc(C)cc(=O)[nH]2)n1 ZINC000408055839 160025333 /nfs/dbraw/zinc/02/53/33/160025333.db2.gz BEQHTJNZYBBSGE-GXSJLCMTSA-N 0 0 304.306 0.735 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC)nc1C ZINC000408058184 160025800 /nfs/dbraw/zinc/02/58/00/160025800.db2.gz HHLUESQEOMTYMV-SNVBAGLBSA-N 0 0 300.384 0.111 10 0 DCAERN Cc1nn(CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)c1Cl ZINC000408062540 160026541 /nfs/dbraw/zinc/02/65/41/160026541.db2.gz MWWSEOVCTRKRNW-SKDRFNHKSA-N 0 0 314.773 0.255 10 0 DCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408065143 160026592 /nfs/dbraw/zinc/02/65/92/160026592.db2.gz ZIMWGVHGISHCJM-NEPJUHHUSA-N 0 0 310.394 0.903 10 0 DCAERN C[C@@H]1CC(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000408077396 160030777 /nfs/dbraw/zinc/03/07/77/160030777.db2.gz XGPRVSPVVCWPFM-WZRBSPASSA-N 0 0 318.439 0.730 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408078257 160030918 /nfs/dbraw/zinc/03/09/18/160030918.db2.gz GVNZNLKEYFNHIC-DLUQRMLASA-N 0 0 321.421 0.258 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408077246 160031141 /nfs/dbraw/zinc/03/11/41/160031141.db2.gz VKKRJOOSIUODFC-LLVKDONJSA-N 0 0 317.345 0.758 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3CCO[C@H](C)C3)nc2n1 ZINC000408077335 160031201 /nfs/dbraw/zinc/03/12/01/160031201.db2.gz WJDZAKBHRQVQMY-VXGBXAGGSA-N 0 0 303.366 0.967 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1N1CCOCC1 ZINC000408080585 160031424 /nfs/dbraw/zinc/03/14/24/160031424.db2.gz NXHMUUBPFVHLCF-JSGCOSHPSA-N 0 0 319.409 0.335 10 0 DCAERN C[C@@H]1SCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)[C@H]1C ZINC000408080700 160031679 /nfs/dbraw/zinc/03/16/79/160031679.db2.gz PINFEBKMNSGNPT-IUCAKERBSA-N 0 0 315.420 0.695 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1O ZINC000408091622 160033311 /nfs/dbraw/zinc/03/33/11/160033311.db2.gz VSFCTYPMFPYYKY-GWCFXTLKSA-N 0 0 323.378 0.054 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1O ZINC000408093979 160034087 /nfs/dbraw/zinc/03/40/87/160034087.db2.gz XPMVLGRIUVLOPE-UTLUCORTSA-N 0 0 323.315 0.562 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408093284 160034095 /nfs/dbraw/zinc/03/40/95/160034095.db2.gz ASBWPISAUAPCRB-CABZTGNLSA-N 0 0 304.350 0.103 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C[C@@H]1O ZINC000408093310 160034097 /nfs/dbraw/zinc/03/40/97/160034097.db2.gz AUKRIJLPPVVXKK-OCCSQVGLSA-N 0 0 305.378 0.761 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408093281 160034284 /nfs/dbraw/zinc/03/42/84/160034284.db2.gz ASBWPISAUAPCRB-BXKDBHETSA-N 0 0 304.350 0.103 10 0 DCAERN CC(C)[C@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408104606 160036296 /nfs/dbraw/zinc/03/62/96/160036296.db2.gz FWWCDCBPCWOBAR-UPJWGTAASA-N 0 0 320.455 0.727 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000408111909 160038001 /nfs/dbraw/zinc/03/80/01/160038001.db2.gz IRXZAUSXHRXSTC-NEPJUHHUSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000408114021 160039101 /nfs/dbraw/zinc/03/91/01/160039101.db2.gz VJUAUZINOQAKNK-ZDUSSCGKSA-N 0 0 317.455 0.355 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000408114941 160039446 /nfs/dbraw/zinc/03/94/46/160039446.db2.gz JNTHQUDFRLIGQO-GFCCVEGCSA-N 0 0 304.412 0.499 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408115564 160039460 /nfs/dbraw/zinc/03/94/60/160039460.db2.gz LDNUKQWHARHWAU-OLZOCXBDSA-N 0 0 318.439 0.589 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000408126871 160042635 /nfs/dbraw/zinc/04/26/35/160042635.db2.gz BOIWWGUZNHPMHD-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@H](C(=O)N1CCO[C@@H](c2nccs2)C1)N1CCOCC1 ZINC000408128178 160042666 /nfs/dbraw/zinc/04/26/66/160042666.db2.gz IHECZGOPBNXACW-VXGBXAGGSA-N 0 0 311.407 0.764 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)CC(F)(F)F ZINC000408135295 160045193 /nfs/dbraw/zinc/04/51/93/160045193.db2.gz XFXLTIWPDLQGGJ-MRVPVSSYSA-N 0 0 300.302 0.622 10 0 DCAERN Cc1oc(C(=O)N2CCC[C@@H](C)[C@@H]2CO)cc1S(N)(=O)=O ZINC000408135945 160045323 /nfs/dbraw/zinc/04/53/23/160045323.db2.gz ACLOBYZRCZWGOF-SCZZXKLOSA-N 0 0 316.379 0.468 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000408134904 160045387 /nfs/dbraw/zinc/04/53/87/160045387.db2.gz WJBNEAQQXXPDLG-MNOVXSKESA-N 0 0 313.427 0.852 10 0 DCAERN CC(C)[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000408141742 160047116 /nfs/dbraw/zinc/04/71/16/160047116.db2.gz NOHSQWKZLNVXGK-GFCCVEGCSA-N 0 0 319.365 0.013 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152275 160049022 /nfs/dbraw/zinc/04/90/22/160049022.db2.gz YOTUHKJXDWIWRW-HZSPNIEDSA-N 0 0 311.426 0.613 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 ZINC000408156700 160049362 /nfs/dbraw/zinc/04/93/62/160049362.db2.gz AYTKVVWYRBSQOG-MNOVXSKESA-N 0 0 304.394 0.748 10 0 DCAERN C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)CCC1=O ZINC000408157134 160049651 /nfs/dbraw/zinc/04/96/51/160049651.db2.gz AGFWHDFRUNRSGD-GFCCVEGCSA-N 0 0 316.423 0.630 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000408162426 160050543 /nfs/dbraw/zinc/05/05/43/160050543.db2.gz WNKLDPQSQCTZOO-SNVBAGLBSA-N 0 0 321.343 0.998 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000408166154 160051101 /nfs/dbraw/zinc/05/11/01/160051101.db2.gz XEXQZZVJEHZESQ-SECBINFHSA-N 0 0 313.379 0.447 10 0 DCAERN Cc1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)[nH]n1 ZINC000408171252 160052822 /nfs/dbraw/zinc/05/28/22/160052822.db2.gz ZBHAIWISOIPDRZ-UHFFFAOYSA-N 0 0 312.395 0.405 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C2CC2)C1 ZINC000408179304 160053443 /nfs/dbraw/zinc/05/34/43/160053443.db2.gz CQBKTFBYCJLPKT-GFCCVEGCSA-N 0 0 309.453 0.873 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000408180241 160054483 /nfs/dbraw/zinc/05/44/83/160054483.db2.gz OKSBNVXYKCRFPT-YNEHKIRRSA-N 0 0 324.425 0.600 10 0 DCAERN C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1n1ccnc1 ZINC000408184355 160055366 /nfs/dbraw/zinc/05/53/66/160055366.db2.gz BFOFVJKQGADOFE-VXGBXAGGSA-N 0 0 314.411 0.184 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)NC1CC1 ZINC000408193443 160056930 /nfs/dbraw/zinc/05/69/30/160056930.db2.gz CJEALSQDBMVIEG-WCQGTBRESA-N 0 0 302.396 0.789 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000408196874 160057449 /nfs/dbraw/zinc/05/74/49/160057449.db2.gz DKHZOKKZYRTTKC-QWHCGFSZSA-N 0 0 309.410 0.759 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC(=O)N1 ZINC000408201174 160058487 /nfs/dbraw/zinc/05/84/87/160058487.db2.gz DFFSNFCGOGCMRC-FVCCEPFGSA-N 0 0 309.410 0.664 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000408200113 160058648 /nfs/dbraw/zinc/05/86/48/160058648.db2.gz ZQUVGNJWONDUHG-GFCCVEGCSA-N 0 0 303.428 0.188 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000408201263 160058733 /nfs/dbraw/zinc/05/87/33/160058733.db2.gz HGGPLXLOISHHMU-OAHLLOKOSA-N 0 0 303.362 0.802 10 0 DCAERN CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)NC1CCCC1 ZINC000408205186 160059942 /nfs/dbraw/zinc/05/99/42/160059942.db2.gz JBJRFJCLKXWKQD-SNVBAGLBSA-N 0 0 312.457 0.518 10 0 DCAERN CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000408207164 160060096 /nfs/dbraw/zinc/06/00/96/160060096.db2.gz QXVGHQOMWDUHMW-NSHDSACASA-N 0 0 317.397 0.207 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCSC[C@@H]2CCO)CC(=O)N1 ZINC000408205756 160060325 /nfs/dbraw/zinc/06/03/25/160060325.db2.gz YXCSLORQLGKMKV-TUAOUCFPSA-N 0 0 300.424 0.618 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1(C)C ZINC000408208227 160060747 /nfs/dbraw/zinc/06/07/47/160060747.db2.gz ZNCZCUNRZOINJD-NWDGAFQWSA-N 0 0 309.410 0.759 10 0 DCAERN Cc1ccc2nc(CN3CC[S@@](=O)[C@@H](C)C3)cc(=O)n2c1 ZINC000408209568 160060896 /nfs/dbraw/zinc/06/08/96/160060896.db2.gz CZJXAXBJGFKONE-LAJNKCICSA-N 0 0 305.403 0.956 10 0 DCAERN C[C@H]1CSCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408220103 160063161 /nfs/dbraw/zinc/06/31/61/160063161.db2.gz SQXTWYAGZJQEDU-VIFPVBQESA-N 0 0 301.455 0.188 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1(C)CC1 ZINC000408224829 160064097 /nfs/dbraw/zinc/06/40/97/160064097.db2.gz IHRNUIUXRORVJE-VIFPVBQESA-N 0 0 300.384 0.731 10 0 DCAERN C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)NS(C)(=O)=O)CC[N@@H+]1C ZINC000408230974 160064936 /nfs/dbraw/zinc/06/49/36/160064936.db2.gz JUDLSHBJDOPNSX-QWRGUYRKSA-N 0 0 305.444 0.255 10 0 DCAERN C[C@H]1[C@@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1(F)F ZINC000408231245 160065030 /nfs/dbraw/zinc/06/50/30/160065030.db2.gz LQLXHUILIWAEAH-CABZTGNLSA-N 0 0 303.353 0.556 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000408233512 160065086 /nfs/dbraw/zinc/06/50/86/160065086.db2.gz VJFMTHZAFRWIEE-LBPRGKRZSA-N 0 0 315.370 0.316 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1cnn(C)c1 ZINC000408234208 160065481 /nfs/dbraw/zinc/06/54/81/160065481.db2.gz CVILDWSLEZHFBV-ZJUUUORDSA-N 0 0 300.384 0.310 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000408232855 160065650 /nfs/dbraw/zinc/06/56/50/160065650.db2.gz WPZGZUVTHMICNM-CABCVRRESA-N 0 0 306.410 0.994 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)ccn1 ZINC000408236040 160065942 /nfs/dbraw/zinc/06/59/42/160065942.db2.gz LNONZSZSZGBAHS-MNOVXSKESA-N 0 0 315.395 0.534 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)CC1=O ZINC000408235797 160066149 /nfs/dbraw/zinc/06/61/49/160066149.db2.gz FWQUFDLSVSUUQF-VOAKCMCISA-N 0 0 316.423 0.484 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(=O)NC(C)(C)C ZINC000408238461 160066885 /nfs/dbraw/zinc/06/68/85/160066885.db2.gz SDYAODNTAJTFQI-AXFHLTTASA-N 0 0 321.443 0.233 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC000408243267 160067488 /nfs/dbraw/zinc/06/74/88/160067488.db2.gz FLNUQNXEKOJCGN-LBPRGKRZSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)on1 ZINC000408242626 160067613 /nfs/dbraw/zinc/06/76/13/160067613.db2.gz WMFCFNSFIKRTIT-ZJUUUORDSA-N 0 0 301.368 0.573 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408245630 160068203 /nfs/dbraw/zinc/06/82/03/160068203.db2.gz HGYFVYSZBAWQPJ-QGZVFWFLSA-N 0 0 315.373 0.789 10 0 DCAERN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC000408246780 160068264 /nfs/dbraw/zinc/06/82/64/160068264.db2.gz OXNANLGODUHHFG-CHWSQXEVSA-N 0 0 302.440 0.895 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408244554 160068413 /nfs/dbraw/zinc/06/84/13/160068413.db2.gz PDVJCZOPJDGAPM-LLVKDONJSA-N 0 0 316.423 0.279 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C1CCCC1 ZINC000408245992 160068468 /nfs/dbraw/zinc/06/84/68/160068468.db2.gz IDAUNDTUFFKCKK-DOTOQJQBSA-N 0 0 321.421 0.810 10 0 DCAERN COCC[C@@H](C)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408247229 160069010 /nfs/dbraw/zinc/06/90/10/160069010.db2.gz MWYBWIRUTHLWSH-CHWSQXEVSA-N 0 0 306.428 0.148 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408247013 160069263 /nfs/dbraw/zinc/06/92/63/160069263.db2.gz MFLMRXSYKUCYHR-INIZCTEOSA-N 0 0 307.394 0.518 10 0 DCAERN CC(=O)NC1(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CCCCC1 ZINC000408248079 160069332 /nfs/dbraw/zinc/06/93/32/160069332.db2.gz RWRVTYJGKGKDIS-INIZCTEOSA-N 0 0 321.421 0.954 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3COCC[C@H]32)o1 ZINC000408249480 160069459 /nfs/dbraw/zinc/06/94/59/160069459.db2.gz XEGJIZIZBNGWAZ-NXEZZACHSA-N 0 0 314.363 0.568 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@]4(CNC(=O)C4)C3)c2n1 ZINC000408248059 160069470 /nfs/dbraw/zinc/06/94/70/160069470.db2.gz RSLUIPSZTRSKJD-INIZCTEOSA-N 0 0 313.361 0.780 10 0 DCAERN O=C(NCCc1nccs1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408252187 160069861 /nfs/dbraw/zinc/06/98/61/160069861.db2.gz MZQMSSAWENOVCJ-CQSZACIVSA-N 0 0 308.407 0.997 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408260797 160071343 /nfs/dbraw/zinc/07/13/43/160071343.db2.gz YKOQSUKXHBRZIN-MLGOLLRUSA-N 0 0 317.393 0.579 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000408259951 160071347 /nfs/dbraw/zinc/07/13/47/160071347.db2.gz RAAWKPFCDWKYBB-LLVKDONJSA-N 0 0 313.423 0.281 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408273457 160073233 /nfs/dbraw/zinc/07/32/33/160073233.db2.gz CZFQUEPPWVCZHP-OLZOCXBDSA-N 0 0 311.426 0.600 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC[S@]1=O ZINC000408273019 160073431 /nfs/dbraw/zinc/07/34/31/160073431.db2.gz MHJVHJHUYCYOEH-NSPYISDASA-N 0 0 321.464 0.571 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000408271136 160073620 /nfs/dbraw/zinc/07/36/20/160073620.db2.gz VBDKWWLVGCMTDO-OAHLLOKOSA-N 0 0 305.334 0.809 10 0 DCAERN C[C@H]1N(C(=O)[C@H](O)Cc2cnn(C)c2)CCC12CCOCC2 ZINC000408274334 160074421 /nfs/dbraw/zinc/07/44/21/160074421.db2.gz KKNOROKMGOXLGY-TZMCWYRMSA-N 0 0 307.394 0.741 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408278654 160074897 /nfs/dbraw/zinc/07/48/97/160074897.db2.gz XMEGXMKRBGBUEU-SRVKXCTJSA-N 0 0 322.427 0.612 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408278662 160074917 /nfs/dbraw/zinc/07/49/17/160074917.db2.gz XMEGXMKRBGBUEU-WOPDTQHZSA-N 0 0 322.427 0.612 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3C[C@H](CO)O[C@@H](C)C3)cnc2n1 ZINC000408283576 160075821 /nfs/dbraw/zinc/07/58/21/160075821.db2.gz MBEWZCYQSVYRFS-WDEREUQCSA-N 0 0 317.345 0.866 10 0 DCAERN CC(C)(C(=O)N1CCC[C@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000408305367 160080781 /nfs/dbraw/zinc/08/07/81/160080781.db2.gz JIPDNKAQQMXSFN-SNVBAGLBSA-N 0 0 317.329 0.725 10 0 DCAERN CC(=O)N[C@@H]1CCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408309209 160082132 /nfs/dbraw/zinc/08/21/32/160082132.db2.gz MPXAJZOJJFUIOP-HIFRSBDPSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000408330838 160086005 /nfs/dbraw/zinc/08/60/05/160086005.db2.gz KQAMNIKGHMSAQW-XQQFMLRXSA-N 0 0 318.439 0.589 10 0 DCAERN C[C@H]1c2nncn2CCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408344740 160088814 /nfs/dbraw/zinc/08/88/14/160088814.db2.gz ZSRRUBFHOQWFGQ-VIFPVBQESA-N 0 0 313.317 0.826 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000408352213 160090633 /nfs/dbraw/zinc/09/06/33/160090633.db2.gz NQCAVAHOTNFTOJ-ZYHUDNBSSA-N 0 0 306.353 0.572 10 0 DCAERN CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CC1(C)C ZINC000408359579 160091511 /nfs/dbraw/zinc/09/15/11/160091511.db2.gz VICDJMFVSVFKJW-NSHDSACASA-N 0 0 316.361 0.503 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](CCO)C1 ZINC000408364970 160093053 /nfs/dbraw/zinc/09/30/53/160093053.db2.gz DBYJKROHVBYOJC-YNEHKIRRSA-N 0 0 318.439 0.756 10 0 DCAERN C[C@@]1(CO)CCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408368043 160093803 /nfs/dbraw/zinc/09/38/03/160093803.db2.gz AYGOGPCTGUTPLG-NHYWBVRUSA-N 0 0 323.393 0.518 10 0 DCAERN CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000408374633 160094417 /nfs/dbraw/zinc/09/44/17/160094417.db2.gz IMOKYAINLFPKAT-MGPQQGTHSA-N 0 0 308.426 0.733 10 0 DCAERN C[C@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc32)CC[C@H]1O ZINC000408378484 160095227 /nfs/dbraw/zinc/09/52/27/160095227.db2.gz VQIHNTQRMVHOAQ-XHDPSFHLSA-N 0 0 315.373 0.705 10 0 DCAERN Cn1cc([C@@H]2CN(S(=O)(=O)C[C@H]3CCOC3)CCO2)cn1 ZINC000408391211 160098395 /nfs/dbraw/zinc/09/83/95/160098395.db2.gz BFBZFJWRVINFRE-AAEUAGOBSA-N 0 0 315.395 0.160 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000408393972 160099166 /nfs/dbraw/zinc/09/91/66/160099166.db2.gz LSTSYKZINJRXJN-JQWIXIFHSA-N 0 0 320.455 0.570 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000408398323 160100718 /nfs/dbraw/zinc/10/07/18/160100718.db2.gz YDJPZJYZSVFVNS-NXEZZACHSA-N 0 0 321.424 0.099 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000408406284 160101918 /nfs/dbraw/zinc/10/19/18/160101918.db2.gz MMGMXRYTPQSINN-NEPJUHHUSA-N 0 0 320.397 0.718 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)c(O)c2O1 ZINC000408410669 160102519 /nfs/dbraw/zinc/10/25/19/160102519.db2.gz WMAXVOCMGPYKFF-LLVKDONJSA-N 0 0 320.345 0.432 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408419899 160104411 /nfs/dbraw/zinc/10/44/11/160104411.db2.gz PNPRENBHFXGYHO-MXWKQRLJSA-N 0 0 322.452 0.757 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000408421156 160104517 /nfs/dbraw/zinc/10/45/17/160104517.db2.gz FWFUHRDTIOAGHD-LBPRGKRZSA-N 0 0 304.412 0.295 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cccc(N(C)C)c2)CC1 ZINC000408423977 160104865 /nfs/dbraw/zinc/10/48/65/160104865.db2.gz ZYYOBGCDCGFLHX-UHFFFAOYSA-N 0 0 311.407 0.605 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@]3(C)CCCO3)CCO2)n1 ZINC000408444316 160109545 /nfs/dbraw/zinc/10/95/45/160109545.db2.gz URLMAJKFBIFNNL-DZGCQCFKSA-N 0 0 308.382 0.691 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCc3ccccc3C2)C1 ZINC000408443507 160109643 /nfs/dbraw/zinc/10/96/43/160109643.db2.gz OFQGXLHEWOJTIY-KBPBESRZSA-N 0 0 323.418 0.616 10 0 DCAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)no1 ZINC000408455285 160111776 /nfs/dbraw/zinc/11/17/76/160111776.db2.gz XDAOGXXSDQCNCH-SCZZXKLOSA-N 0 0 316.383 0.321 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1=O ZINC000408459239 160112988 /nfs/dbraw/zinc/11/29/88/160112988.db2.gz HXTHDWRBQHRQMI-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408461050 160113476 /nfs/dbraw/zinc/11/34/76/160113476.db2.gz SWNSCBOVKRPNMA-MNOVXSKESA-N 0 0 300.380 0.872 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408461663 160113957 /nfs/dbraw/zinc/11/39/57/160113957.db2.gz WGLOTIYPKRWMGW-IJLUTSLNSA-N 0 0 305.396 0.911 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]([C@@H](C)O)C2)C1 ZINC000408470248 160115527 /nfs/dbraw/zinc/11/55/27/160115527.db2.gz QIDIELYPCZRGKS-HZSPNIEDSA-N 0 0 312.410 0.633 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)N(C)Cc1ccc(F)cc1 ZINC000079432112 286924786 /nfs/dbraw/zinc/92/47/86/286924786.db2.gz CXMBPJHHPUNEAC-UHFFFAOYSA-N 0 0 317.386 0.906 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1sccc1Br ZINC000111542987 286942629 /nfs/dbraw/zinc/94/26/29/286942629.db2.gz VWVMEDWGJBPKPJ-VDTYLAMSSA-N 0 0 319.180 0.571 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)c1cc(C(N)=O)cn1C ZINC000119215554 286947167 /nfs/dbraw/zinc/94/71/67/286947167.db2.gz JYVWTKQRLLKLOA-UHFFFAOYSA-N 0 0 303.366 0.447 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCc2nc(CSC)no2)C1 ZINC000124702907 286964516 /nfs/dbraw/zinc/96/45/16/286964516.db2.gz OIXBHEDKNXVKGW-UHFFFAOYSA-N 0 0 312.395 0.460 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCCn2ccnn2)cc1C ZINC000130786546 286996182 /nfs/dbraw/zinc/99/61/82/286996182.db2.gz WDNMPEBZNYVRDZ-UHFFFAOYSA-N 0 0 315.377 0.831 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000132161904 287003856 /nfs/dbraw/zinc/00/38/56/287003856.db2.gz NHHQRIDNOVBYBR-RYUDHWBXSA-N 0 0 306.428 0.325 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000132218124 287004261 /nfs/dbraw/zinc/00/42/61/287004261.db2.gz BBZCSSFKRIQMJC-NEPJUHHUSA-N 0 0 308.382 0.994 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000132299430 287005008 /nfs/dbraw/zinc/00/50/08/287005008.db2.gz SAUQOGYHUDHFGI-MNOVXSKESA-N 0 0 324.381 0.782 10 0 DCAERN Cc1ccc(C(=O)NCCNc2cncc(OCCO)n2)cc1 ZINC000132640201 287006412 /nfs/dbraw/zinc/00/64/12/287006412.db2.gz ABTBSRDRXBVXEO-UHFFFAOYSA-N 0 0 316.361 0.998 10 0 DCAERN CS[C@@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131415614 287000221 /nfs/dbraw/zinc/00/02/21/287000221.db2.gz UMSGRGIJXUHFNZ-VIFPVBQESA-N 0 0 307.375 0.558 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)SC2CCOCC2)CC1 ZINC000131582168 287001147 /nfs/dbraw/zinc/00/11/47/287001147.db2.gz YKFOXKFWPJNYHS-LLVKDONJSA-N 0 0 300.424 0.978 10 0 DCAERN C[C@H](Nc1cncc(OCCO)n1)C(=O)NCc1ccccc1 ZINC000131765579 287002210 /nfs/dbraw/zinc/00/22/10/287002210.db2.gz RVFMRQWQHGZWNR-LBPRGKRZSA-N 0 0 316.361 0.965 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCC[S@](C)=O)no2)c1 ZINC000133145852 287009119 /nfs/dbraw/zinc/00/91/19/287009119.db2.gz JNGFTZDJAZTTHN-OAQYLSRUSA-N 0 0 310.379 0.726 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000134485491 287016361 /nfs/dbraw/zinc/01/63/61/287016361.db2.gz WLAOGRCNFMFDCD-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000152183496 287039519 /nfs/dbraw/zinc/03/95/19/287039519.db2.gz JMOJVGYYQVZTOO-LLVKDONJSA-N 0 0 316.292 0.751 10 0 DCAERN Cn1cc(S(=O)(=O)NCC(=O)NCCC2=CCCC2)cn1 ZINC000152511182 287042044 /nfs/dbraw/zinc/04/20/44/287042044.db2.gz BLOSPQIQBINCRQ-UHFFFAOYSA-N 0 0 312.395 0.315 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(=O)[nH]c1C ZINC000152778245 287044053 /nfs/dbraw/zinc/04/40/53/287044053.db2.gz LLBRPGCIZIRJDF-NEPJUHHUSA-N 0 0 308.382 0.226 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000152873720 287044825 /nfs/dbraw/zinc/04/48/25/287044825.db2.gz ZQDVBSPDSRTXRC-LBPRGKRZSA-N 0 0 300.399 0.491 10 0 DCAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCC(N)=O)C(C)C ZINC000173014711 287052362 /nfs/dbraw/zinc/05/23/62/287052362.db2.gz GOGCHFGHLLRJSY-AWEZNQCLSA-N 0 0 305.378 0.741 10 0 DCAERN C[C@@H]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H](C)C1 ZINC000163491994 287051183 /nfs/dbraw/zinc/05/11/83/287051183.db2.gz XZJOSXIAVPTVQN-NEPJUHHUSA-N 0 0 317.455 0.797 10 0 DCAERN CN(C)c1noc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)n1 ZINC000192760296 287059569 /nfs/dbraw/zinc/05/95/69/287059569.db2.gz LRIVZNDJGNBQSQ-MNOVXSKESA-N 0 0 316.427 0.923 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245657775 287071588 /nfs/dbraw/zinc/07/15/88/287071588.db2.gz FCJQUDZUXBVHQC-RYUDHWBXSA-N 0 0 300.399 0.489 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC2(O)CCCC2)[C@@H](C)CO1 ZINC000245644164 287071621 /nfs/dbraw/zinc/07/16/21/287071621.db2.gz BTBYNNALBAFXSH-RYUDHWBXSA-N 0 0 306.428 0.577 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000245624961 287071625 /nfs/dbraw/zinc/07/16/25/287071625.db2.gz QRJMHDCVGPRCSV-NWDGAFQWSA-N 0 0 308.444 0.128 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000246082522 287076307 /nfs/dbraw/zinc/07/63/07/287076307.db2.gz HGJBEKOVRKNFAW-KGLIPLIRSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000246235174 287079952 /nfs/dbraw/zinc/07/99/52/287079952.db2.gz REWGWFGFILANIE-QWRGUYRKSA-N 0 0 302.400 0.206 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2cscn2)[C@@H](C)CO1 ZINC000246124345 287077331 /nfs/dbraw/zinc/07/73/31/287077331.db2.gz JFCJMWSPGNVAQG-UWVGGRQHSA-N 0 0 305.425 0.929 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246327124 287081434 /nfs/dbraw/zinc/08/14/34/287081434.db2.gz ZOGZLOWEQPFITM-OLZOCXBDSA-N 0 0 307.460 0.350 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CC[C@](C)(O)C2)[C@@H]1c1cccnc1 ZINC000246821337 287088021 /nfs/dbraw/zinc/08/80/21/287088021.db2.gz KQCQYNUWWQVUGO-NOLJZWGESA-N 0 0 303.362 0.584 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000246865173 287088727 /nfs/dbraw/zinc/08/87/27/287088727.db2.gz QVMMTZHLOFNCEO-TUVASFSCSA-N 0 0 310.394 0.650 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)c1nncn1C ZINC000246670750 287086346 /nfs/dbraw/zinc/08/63/46/287086346.db2.gz DEBZPFBKJGWLDH-GARJFASQSA-N 0 0 306.370 0.329 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1 ZINC000246717837 287086917 /nfs/dbraw/zinc/08/69/17/287086917.db2.gz LEKFOSHYSBPLGA-IPYPFGDCSA-N 0 0 311.426 0.158 10 0 DCAERN NC(=O)[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247094211 287090976 /nfs/dbraw/zinc/09/09/76/287090976.db2.gz UKNBQKPYQYIUQI-ZJUUUORDSA-N 0 0 307.316 0.737 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000247110150 287091464 /nfs/dbraw/zinc/09/14/64/287091464.db2.gz OZFRFRBEJAVSIJ-UTUOFQBUSA-N 0 0 303.428 0.597 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000247175083 287091830 /nfs/dbraw/zinc/09/18/30/287091830.db2.gz UIRKOLGWEVBQKG-WOPDTQHZSA-N 0 0 304.412 0.519 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000247214862 287092161 /nfs/dbraw/zinc/09/21/61/287092161.db2.gz YCYJXOGELLGTOB-RYUDHWBXSA-N 0 0 323.368 0.678 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255242 287092426 /nfs/dbraw/zinc/09/24/26/287092426.db2.gz YBLHDJAZGAAMFX-QWHCGFSZSA-N 0 0 317.455 0.257 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NCC(=O)N1CCCC1 ZINC000248042277 287095935 /nfs/dbraw/zinc/09/59/35/287095935.db2.gz LCBTUJMTPBEYII-UHFFFAOYSA-N 0 0 303.428 0.708 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000248476871 287097774 /nfs/dbraw/zinc/09/77/74/287097774.db2.gz YKEZXNFULUAFCZ-GRYCIOLGSA-N 0 0 308.444 0.727 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H]([C@H](C)O)C3)cc12 ZINC000248519587 287098077 /nfs/dbraw/zinc/09/80/77/287098077.db2.gz BBBLBYWIKJKPAO-QWRGUYRKSA-N 0 0 324.406 0.668 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000248653831 287099027 /nfs/dbraw/zinc/09/90/27/287099027.db2.gz CFMIANCCADUNKN-OLZOCXBDSA-N 0 0 308.444 0.130 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)c2ccco2)C[C@H](C)O1 ZINC000248994636 287104792 /nfs/dbraw/zinc/10/47/92/287104792.db2.gz LUIVCOWDDLEJKL-GRYCIOLGSA-N 0 0 318.395 0.647 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c(C)o1 ZINC000249116733 287106777 /nfs/dbraw/zinc/10/67/77/287106777.db2.gz BIUJRZCUFHYJKV-QWRGUYRKSA-N 0 0 316.423 0.972 10 0 DCAERN COc1ccc(C)cc1NC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249531498 287112992 /nfs/dbraw/zinc/11/29/92/287112992.db2.gz BAYJVTIXLAUGIZ-AWEZNQCLSA-N 0 0 321.421 0.941 10 0 DCAERN COc1ccc(CNC(=O)CN2CC[C@@H](C)C[C@@H]2C(N)=O)cc1 ZINC000249581928 287115149 /nfs/dbraw/zinc/11/51/49/287115149.db2.gz RKPLOIQOCUIXDW-IUODEOHRSA-N 0 0 319.405 0.897 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H](CO)O1 ZINC000249439290 287110998 /nfs/dbraw/zinc/11/09/98/287110998.db2.gz SQTWYTJVLFPNDX-KBUPBQIOSA-N 0 0 312.410 0.238 10 0 DCAERN CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000358308887 287206629 /nfs/dbraw/zinc/20/66/29/287206629.db2.gz PGMZYEOELXPDSR-AWEZNQCLSA-N 0 0 311.403 0.980 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000358396478 287208726 /nfs/dbraw/zinc/20/87/26/287208726.db2.gz NXXZAQZPMNVLQM-NXEZZACHSA-N 0 0 307.416 0.120 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(CC(C)C)C(=O)C2)CC(=O)N1 ZINC000408367128 287233861 /nfs/dbraw/zinc/23/38/61/287233861.db2.gz RLBRZOCXTSRLCM-STQMWFEESA-N 0 0 309.410 0.618 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1C[C@@H](F)C[C@H]1CO ZINC000408060215 287233212 /nfs/dbraw/zinc/23/32/12/287233212.db2.gz CNLPNQXIODTEPL-NNYUYHANSA-N 0 0 312.341 0.093 10 0 DCAERN c1nnc2ccc(N[C@H]3CCN(c4ccc5nncn5n4)C3)nn12 ZINC000624532973 412436381 /nfs/dbraw/zinc/43/63/81/412436381.db2.gz GNRWGMWUJBHNOP-JTQLQIEISA-N 0 0 322.336 0.253 10 0 DCAERN Cc1nc(NC[C@]2(CCO)CCOC2)sc1S(N)(=O)=O ZINC000516958162 412447659 /nfs/dbraw/zinc/44/76/59/412447659.db2.gz GYSFKSFFKITPEJ-NSHDSACASA-N 0 0 321.424 0.300 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCS1(=O)=O ZINC000265664513 415133222 /nfs/dbraw/zinc/13/32/22/415133222.db2.gz FOYOXPKOHBKIFL-SECBINFHSA-N 0 0 324.358 0.277 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)no1 ZINC000268142011 415163904 /nfs/dbraw/zinc/16/39/04/415163904.db2.gz COEOAIBESPKSDR-NEPJUHHUSA-N 0 0 313.379 0.556 10 0 DCAERN CC(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000041241643 415198426 /nfs/dbraw/zinc/19/84/26/415198426.db2.gz OTQCRFFDBMLDEX-GFCCVEGCSA-N 0 0 307.394 0.324 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@H]1CCCO1 ZINC000044317324 415219355 /nfs/dbraw/zinc/21/93/55/415219355.db2.gz JGMRGPULJWNCGU-LLVKDONJSA-N 0 0 312.391 0.941 10 0 DCAERN CC(C)(C)OC[C@@H](O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000046055253 415257219 /nfs/dbraw/zinc/25/72/19/415257219.db2.gz PCVGUPGJAJOHOW-LBPRGKRZSA-N 0 0 308.444 0.130 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000046872785 415264754 /nfs/dbraw/zinc/26/47/54/415264754.db2.gz LNPVXRZBTZBEHU-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000047705688 415279701 /nfs/dbraw/zinc/27/97/01/415279701.db2.gz GPYJYMVSQKLSJZ-ZDUSSCGKSA-N 0 0 305.378 0.770 10 0 DCAERN CCS(=O)(=O)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000053012118 415325899 /nfs/dbraw/zinc/32/58/99/415325899.db2.gz ZMBDWKZFTNTPIX-UHFFFAOYSA-N 0 0 307.375 0.923 10 0 DCAERN C[C@@H](CCc1cccn1C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000074055917 415427285 /nfs/dbraw/zinc/42/72/85/415427285.db2.gz BLZGVTJCMZSOMF-NSHDSACASA-N 0 0 320.393 0.793 10 0 DCAERN NS(=O)(=O)c1cnc(NC[C@H]2CN(C3CC3)CCO2)s1 ZINC000066745931 415364735 /nfs/dbraw/zinc/36/47/35/415364735.db2.gz JMECGFIDIIBZKO-VIFPVBQESA-N 0 0 318.424 0.066 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)c2cc3n(n2)CCN(C)C3)[nH]n1 ZINC000067833662 415386210 /nfs/dbraw/zinc/38/62/10/415386210.db2.gz MVVNNYZHBLAWIF-SNVBAGLBSA-N 0 0 302.382 0.721 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081048124 415484011 /nfs/dbraw/zinc/48/40/11/415484011.db2.gz WYJCVPDYTGFVQO-GZMMTYOYSA-N 0 0 311.304 0.608 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000332752834 415462342 /nfs/dbraw/zinc/46/23/42/415462342.db2.gz GQVHGSQAEKPOLL-BFHYXJOUSA-N 0 0 324.425 0.112 10 0 DCAERN Cn1c2cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc2[nH]c1=O ZINC000278882154 415504817 /nfs/dbraw/zinc/50/48/17/415504817.db2.gz DDKFTBPFIXUXMJ-MRXNPFEDSA-N 0 0 314.345 0.219 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nc[nH]n1)c1ccccc1 ZINC000086169718 415510346 /nfs/dbraw/zinc/51/03/46/415510346.db2.gz ASKNRISATUIFGK-NXEZZACHSA-N 0 0 308.363 0.844 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000333030348 415534733 /nfs/dbraw/zinc/53/47/33/415534733.db2.gz CBCMLOUNRCUGQH-PWSUYJOCSA-N 0 0 305.382 0.686 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000333070671 415543681 /nfs/dbraw/zinc/54/36/81/415543681.db2.gz KFGWQVXVFGMXCA-QJPTWQEYSA-N 0 0 306.370 0.292 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333105700 415555642 /nfs/dbraw/zinc/55/56/42/415555642.db2.gz DBIBDCXDDJVZSF-KXNHARMFSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000333109518 415558563 /nfs/dbraw/zinc/55/85/63/415558563.db2.gz RUSOTQQPPYZIFR-AAVRWANBSA-N 0 0 324.425 0.016 10 0 DCAERN COC[C@H](C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000103431827 415616631 /nfs/dbraw/zinc/61/66/31/415616631.db2.gz DSGUHCFUUSXNEF-JOYOIKCWSA-N 0 0 323.315 0.959 10 0 DCAERN COCCN(CCO)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000104958581 415625032 /nfs/dbraw/zinc/62/50/32/415625032.db2.gz DORFUWAHHKGUCQ-UONOGXRCSA-N 0 0 300.399 0.097 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000104764705 415626284 /nfs/dbraw/zinc/62/62/84/415626284.db2.gz WIYBKHAVQKMVSX-GFCCVEGCSA-N 0 0 317.455 0.811 10 0 DCAERN CC(C)c1nnc([C@@H]2COCCN2S(=O)(=O)C2COC2)o1 ZINC000333392882 415634214 /nfs/dbraw/zinc/63/42/14/415634214.db2.gz ZOCWCAWXMCKDEN-JTQLQIEISA-N 0 0 317.367 0.295 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC(=O)N1C ZINC000282320563 415580478 /nfs/dbraw/zinc/58/04/78/415580478.db2.gz JQWOEMNAWREXBX-VIFPVBQESA-N 0 0 303.318 0.320 10 0 DCAERN CCCN1C[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1=O ZINC000333206718 415584024 /nfs/dbraw/zinc/58/40/24/415584024.db2.gz YZNNOLSAWANZMQ-RDBSUJKOSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(c3cncc4ncnn43)CC2)O1 ZINC000333215498 415584510 /nfs/dbraw/zinc/58/45/10/415584510.db2.gz CKFSBFYSPYNFJX-RYUDHWBXSA-N 0 0 316.365 0.340 10 0 DCAERN O=S(=O)(NC[C@H](O)C1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333228070 415587752 /nfs/dbraw/zinc/58/77/52/415587752.db2.gz XUCBGYSSSRDIMW-SAXRGWBVSA-N 0 0 303.424 0.882 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](C)CCO)cc1 ZINC000097439131 415588890 /nfs/dbraw/zinc/58/88/90/415588890.db2.gz SBBXNQQUONSHOF-LLVKDONJSA-N 0 0 315.391 0.699 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)N2CCN(C3CC3)C(=O)C2)CCO1 ZINC000333269102 415598829 /nfs/dbraw/zinc/59/88/29/415598829.db2.gz CENKURAEBVLTBX-JQWIXIFHSA-N 0 0 302.396 0.190 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)N(C(C)=O)C1 ZINC000333288004 415600440 /nfs/dbraw/zinc/60/04/40/415600440.db2.gz NVZYXHCFSGZRHJ-YYFQZIEXSA-N 0 0 310.394 0.242 10 0 DCAERN C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333443869 415652283 /nfs/dbraw/zinc/65/22/83/415652283.db2.gz QEQHBJCPTRJNJS-BFHYXJOUSA-N 0 0 320.455 0.536 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000107324031 415663692 /nfs/dbraw/zinc/66/36/92/415663692.db2.gz KHFAOWDOEKFGSU-NSHDSACASA-N 0 0 316.361 0.374 10 0 DCAERN Cc1csc([C@@H]2CN(CCNS(C)(=O)=O)CCO2)n1 ZINC000107300270 415664600 /nfs/dbraw/zinc/66/46/00/415664600.db2.gz ZBVVYDWASRYZTG-JTQLQIEISA-N 0 0 305.425 0.374 10 0 DCAERN O=C([C@H]1CCCC(=O)N1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000333534317 415675328 /nfs/dbraw/zinc/67/53/28/415675328.db2.gz YNJKVHPNJAULMC-NGZCFLSTSA-N 0 0 308.300 0.817 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)c2n[nH]c3c2CCC3)cn1 ZINC000333567361 415684365 /nfs/dbraw/zinc/68/43/65/415684365.db2.gz LWRXFMUACHDGBU-OCCSQVGLSA-N 0 0 301.350 0.892 10 0 DCAERN COCCN1CCN(CC(=O)NCc2cccnc2)C[C@H]1C ZINC000111228017 415693691 /nfs/dbraw/zinc/69/36/91/415693691.db2.gz ISOVKGGMWZOXJQ-CQSZACIVSA-N 0 0 306.410 0.350 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000333609807 415696078 /nfs/dbraw/zinc/69/60/78/415696078.db2.gz GLWVZLBEHBUNJU-CHWSQXEVSA-N 0 0 320.393 0.877 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2nccn21 ZINC000333620808 415697013 /nfs/dbraw/zinc/69/70/13/415697013.db2.gz UEMDAQOKOFOIBP-WHOHXGKFSA-N 0 0 317.353 0.420 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCOC(C)(C)C1)CC2 ZINC000114978449 415725124 /nfs/dbraw/zinc/72/51/24/415725124.db2.gz LZCWEZPSVGCTQG-NSHDSACASA-N 0 0 307.398 0.976 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000118072531 415733466 /nfs/dbraw/zinc/73/34/66/415733466.db2.gz ADJGKRHGWFYNCP-ZIAGYGMSSA-N 0 0 309.414 0.600 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)CC1=O ZINC000112068344 415704900 /nfs/dbraw/zinc/70/49/00/415704900.db2.gz JXABBRCWLQJJDK-UONOGXRCSA-N 0 0 320.393 0.287 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC000112214037 415709277 /nfs/dbraw/zinc/70/92/77/415709277.db2.gz FFKNJTNKLAFXGE-RYUDHWBXSA-N 0 0 305.444 0.545 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000120476385 415769379 /nfs/dbraw/zinc/76/93/79/415769379.db2.gz YITNYQWASBCNKK-LBPRGKRZSA-N 0 0 318.377 0.428 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000120514711 415770916 /nfs/dbraw/zinc/77/09/16/415770916.db2.gz QXLZRTSHPRQIQS-ZJUUUORDSA-N 0 0 312.391 0.268 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000120514220 415771530 /nfs/dbraw/zinc/77/15/30/415771530.db2.gz QXLZRTSHPRQIQS-VHSXEESVSA-N 0 0 312.391 0.268 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000122959427 415837193 /nfs/dbraw/zinc/83/71/93/415837193.db2.gz IUXKQOGAAZKHPU-NWDGAFQWSA-N 0 0 306.428 0.589 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc21 ZINC000120985684 415787966 /nfs/dbraw/zinc/78/79/66/415787966.db2.gz VHSAIBFUJPZQPF-ZDUSSCGKSA-N 0 0 303.362 0.601 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120996016 415789419 /nfs/dbraw/zinc/78/94/19/415789419.db2.gz WSJAYPIIGNRXTF-LBPRGKRZSA-N 0 0 316.317 0.658 10 0 DCAERN C[C@H](O)[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1 ZINC000334049257 415794695 /nfs/dbraw/zinc/79/46/95/415794695.db2.gz RCDFXSKLLDEGHC-YJNKXOJESA-N 0 0 312.410 0.238 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(CCCCO)C2CC2)C[C@H](C)O1 ZINC000121498636 415803013 /nfs/dbraw/zinc/80/30/13/415803013.db2.gz AQXNLMAZDRQIDC-RYUDHWBXSA-N 0 0 306.428 0.577 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)OC ZINC000121485052 415805946 /nfs/dbraw/zinc/80/59/46/415805946.db2.gz FMHOEVOZFXBQIU-SNVBAGLBSA-N 0 0 303.384 0.769 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1COC(=O)C1 ZINC000121524171 415807987 /nfs/dbraw/zinc/80/79/87/415807987.db2.gz AGQIHJLOXMOYTB-KBPBESRZSA-N 0 0 318.373 0.755 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)CCS1(=O)=O ZINC000121747297 415815452 /nfs/dbraw/zinc/81/54/52/415815452.db2.gz UYNRAZBIRKVUQP-SNVBAGLBSA-N 0 0 313.423 0.977 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2ccccc2)CCS1(=O)=O ZINC000121887984 415820153 /nfs/dbraw/zinc/82/01/53/415820153.db2.gz XWGUXEYOCKWZIY-NSHDSACASA-N 0 0 310.375 0.062 10 0 DCAERN COC(=O)CCC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126617409 415877215 /nfs/dbraw/zinc/87/72/15/415877215.db2.gz MVBFQDPPIXLNES-LLVKDONJSA-N 0 0 317.345 0.854 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CCO)CCC2)[C@H](C)CO1 ZINC000127395123 415885931 /nfs/dbraw/zinc/88/59/31/415885931.db2.gz WQEQMAWKQFSUGR-VXGBXAGGSA-N 0 0 306.428 0.483 10 0 DCAERN COCCc1cc(NC(=O)NCCn2cc(C)cn2)n(C)n1 ZINC000127780400 415890320 /nfs/dbraw/zinc/89/03/20/415890320.db2.gz WAAORVGAFYDBSU-UHFFFAOYSA-N 0 0 306.370 0.936 10 0 DCAERN CN1C[C@H](NC(=O)NCCC(=O)N2CCCCCC2)CCC1=O ZINC000125025053 415855939 /nfs/dbraw/zinc/85/59/39/415855939.db2.gz HYWCUIOCHDQGOQ-CYBMUJFWSA-N 0 0 324.425 0.699 10 0 DCAERN CN1C[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)CCC1=O ZINC000133506261 415945468 /nfs/dbraw/zinc/94/54/68/415945468.db2.gz XYLQMYURMFBQGN-JTQLQIEISA-N 0 0 302.396 0.081 10 0 DCAERN C[C@@]1(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CCCO1 ZINC000133437321 415946739 /nfs/dbraw/zinc/94/67/39/415946739.db2.gz RAZDCJNHRSBUKC-INIZCTEOSA-N 0 0 319.361 0.228 10 0 DCAERN COc1ccc(C(=O)Nc2cc(-c3nccn3C)nn2C)nn1 ZINC000135794125 415959498 /nfs/dbraw/zinc/95/94/98/415959498.db2.gz UPULNMJJIZXXBI-UHFFFAOYSA-N 0 0 313.321 0.872 10 0 DCAERN CCc1cnccc1[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000356667069 415970868 /nfs/dbraw/zinc/97/08/68/415970868.db2.gz FMGNYOLOURLBBQ-PSOPSSQASA-N 0 0 305.378 0.803 10 0 DCAERN CCN(CC(N)=O)C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000356903866 416001612 /nfs/dbraw/zinc/00/16/12/416001612.db2.gz OFKLDQHLLYXLSI-UHFFFAOYSA-N 0 0 300.318 0.797 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCCc2ccccc2C)C1 ZINC000344730091 415977884 /nfs/dbraw/zinc/97/78/84/415977884.db2.gz LMERQBQWRWBEKU-HOTGVXAUSA-N 0 0 306.406 0.735 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@@H]1C ZINC000153574881 415984164 /nfs/dbraw/zinc/98/41/64/415984164.db2.gz TUTKTADZWIHYFD-QWRGUYRKSA-N 0 0 320.397 0.766 10 0 DCAERN C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000155031563 415992344 /nfs/dbraw/zinc/99/23/44/415992344.db2.gz LYLXOQMUEWNYHP-HUUCEWRRSA-N 0 0 318.421 0.887 10 0 DCAERN CC(=O)CSCC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337714742 416000087 /nfs/dbraw/zinc/00/00/87/416000087.db2.gz FBICITIRGWRXOY-MNOVXSKESA-N 0 0 322.452 0.143 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000172371511 416044743 /nfs/dbraw/zinc/04/47/43/416044743.db2.gz FPRDDWQDAIQCTR-WCQYABFASA-N 0 0 309.387 0.883 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172556687 416046904 /nfs/dbraw/zinc/04/69/04/416046904.db2.gz SVDFTWMYWUWMQE-SDDRHHMPSA-N 0 0 312.414 0.635 10 0 DCAERN COCCNC(=O)CNS(=O)(=O)c1cccc(C(C)C)c1 ZINC000172991911 416050650 /nfs/dbraw/zinc/05/06/50/416050650.db2.gz GSAOBDQFVAFEBK-UHFFFAOYSA-N 0 0 314.407 0.851 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000173129675 416053524 /nfs/dbraw/zinc/05/35/24/416053524.db2.gz QEQSCVAORBLLFC-GXFFZTMASA-N 0 0 303.362 0.772 10 0 DCAERN Cc1c(NCc2nnnn2C(C)C)cccc1C(=O)NCCO ZINC000173476843 416059195 /nfs/dbraw/zinc/05/91/95/416059195.db2.gz WYGJCCNZCDRXIG-UHFFFAOYSA-N 0 0 318.381 0.897 10 0 DCAERN Cc1nnc([C@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681403 416063548 /nfs/dbraw/zinc/06/35/48/416063548.db2.gz LQZBQYYIAIXEGM-CYBMUJFWSA-N 0 0 301.350 0.786 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173735647 416064133 /nfs/dbraw/zinc/06/41/33/416064133.db2.gz QGLQFAQZMSJGEZ-SNVBAGLBSA-N 0 0 303.388 0.073 10 0 DCAERN O=C(NCCCn1ccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173780456 416066478 /nfs/dbraw/zinc/06/64/78/416066478.db2.gz VUEZCRLSMNFHQM-AWEZNQCLSA-N 0 0 307.398 0.389 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000173864059 416067162 /nfs/dbraw/zinc/06/71/62/416067162.db2.gz BFYNAHBOYNWZNB-ZWNOBZJWSA-N 0 0 303.362 0.820 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173913001 416068638 /nfs/dbraw/zinc/06/86/38/416068638.db2.gz XDLVGLOORGXBPN-ZIAGYGMSSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2=O)n(C)n1 ZINC000174040417 416072473 /nfs/dbraw/zinc/07/24/73/416072473.db2.gz HDBCWTAFADTBLB-NSHDSACASA-N 0 0 312.395 0.306 10 0 DCAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000300240537 416073344 /nfs/dbraw/zinc/07/33/44/416073344.db2.gz OITAQCZCGQTOCD-IJLUTSLNSA-N 0 0 303.428 0.454 10 0 DCAERN COc1c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)nn1C ZINC000174287197 416075119 /nfs/dbraw/zinc/07/51/19/416075119.db2.gz XYAFNBLPVPNKRM-WDEREUQCSA-N 0 0 310.398 0.264 10 0 DCAERN C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1cccc(Cl)c1 ZINC000174417653 416077113 /nfs/dbraw/zinc/07/71/13/416077113.db2.gz XWONUMDCURBECV-ZCFIWIBFSA-N 0 0 308.725 0.790 10 0 DCAERN CO[C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)C1 ZINC000170517274 416027842 /nfs/dbraw/zinc/02/78/42/416027842.db2.gz LPHTYPFZJKGRCX-QWRGUYRKSA-N 0 0 302.330 0.918 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683886 416029098 /nfs/dbraw/zinc/02/90/98/416029098.db2.gz JCIBXIHZKIXNHI-ZFWWWQNUSA-N 0 0 303.362 0.626 10 0 DCAERN CCc1cc(=O)n2nc(N3CCC[C@H](OCCO)C3)sc2n1 ZINC000301273900 416079110 /nfs/dbraw/zinc/07/91/10/416079110.db2.gz IEAVBNAKOAOWHX-NSHDSACASA-N 0 0 324.406 0.691 10 0 DCAERN C[C@@H](NCc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 ZINC000170738896 416030411 /nfs/dbraw/zinc/03/04/11/416030411.db2.gz GWXIYPWTCBOGIK-MRVPVSSYSA-N 0 0 302.338 0.658 10 0 DCAERN C[C@H](CNC(=O)NCCc1ccccc1O)N1CCOCC1 ZINC000170804593 416032825 /nfs/dbraw/zinc/03/28/25/416032825.db2.gz PKJVCJMVGCWALU-CYBMUJFWSA-N 0 0 307.394 0.955 10 0 DCAERN Cc1nc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc2nncn21 ZINC000298838908 416033428 /nfs/dbraw/zinc/03/34/28/416033428.db2.gz IHGVGKKTEKGMSW-NSHDSACASA-N 0 0 324.410 0.293 10 0 DCAERN Cc1nccc(CNC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000171187135 416038325 /nfs/dbraw/zinc/03/83/25/416038325.db2.gz FQPUACTYVHQJOX-UHFFFAOYSA-N 0 0 313.365 0.607 10 0 DCAERN O=S1(=O)N=C(NCC2(O)CCSCC2)c2ccccc21 ZINC000301354888 416082167 /nfs/dbraw/zinc/08/21/67/416082167.db2.gz KHXOTSOWNRKALM-UHFFFAOYSA-N 0 0 312.416 0.983 10 0 DCAERN C[C@@H]1COC2(CCN(c3nnc(Cl)cc3C(N)=O)CC2)O1 ZINC000301464843 416084230 /nfs/dbraw/zinc/08/42/30/416084230.db2.gz GXUZNIKGLBYKPJ-MRVPVSSYSA-N 0 0 312.757 0.961 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(c2cncc(C(N)=O)n2)C1 ZINC000301494468 416084773 /nfs/dbraw/zinc/08/47/73/416084773.db2.gz AVSDCQAGVOSZRB-LLVKDONJSA-N 0 0 305.382 0.564 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000174795321 416087431 /nfs/dbraw/zinc/08/74/31/416087431.db2.gz XMIDWOOHPOCSAC-UHFFFAOYSA-N 0 0 309.370 0.028 10 0 DCAERN CC(=O)N1CCN(C(=O)CCn2c(C)csc2=O)[C@@H](C)C1 ZINC000357931065 416155410 /nfs/dbraw/zinc/15/54/10/416155410.db2.gz PEWYWTCSMATINW-JTQLQIEISA-N 0 0 311.407 0.688 10 0 DCAERN NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(O)c2)c1 ZINC000357490081 416088227 /nfs/dbraw/zinc/08/82/27/416088227.db2.gz QSRHVKOHCLEVSI-UHFFFAOYSA-N 0 0 308.315 0.998 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000174928398 416089277 /nfs/dbraw/zinc/08/92/77/416089277.db2.gz SDDYFZAYXQNTQT-GFCCVEGCSA-N 0 0 318.377 0.905 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1CC ZINC000174919310 416089793 /nfs/dbraw/zinc/08/97/93/416089793.db2.gz NAQCUYIQFVVFDE-CABCVRRESA-N 0 0 313.442 0.276 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1=O ZINC000174910925 416091210 /nfs/dbraw/zinc/09/12/10/416091210.db2.gz CWBJBCRGUAOTNE-SNVBAGLBSA-N 0 0 307.350 0.584 10 0 DCAERN Cc1cc(C)n(-c2cncc(NC[C@H]3CN4CCN3CC4)n2)n1 ZINC000301782178 416092017 /nfs/dbraw/zinc/09/20/17/416092017.db2.gz NZDBKZLUWKNVDF-AWEZNQCLSA-N 0 0 313.409 0.691 10 0 DCAERN COCCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174976438 416092110 /nfs/dbraw/zinc/09/21/10/416092110.db2.gz QORGZJCBIYILCK-GFCCVEGCSA-N 0 0 308.382 0.767 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@H]([C@H](C)O)C1 ZINC000301798081 416092583 /nfs/dbraw/zinc/09/25/83/416092583.db2.gz VBLUDTPJCBLMLY-QWRGUYRKSA-N 0 0 319.365 0.597 10 0 DCAERN Cn1cnnc1COCC(=O)NC[C@H](CO)C1CCCCC1 ZINC000357592036 416102512 /nfs/dbraw/zinc/10/25/12/416102512.db2.gz BDYJMFWKBRJAIY-CYBMUJFWSA-N 0 0 310.398 0.637 10 0 DCAERN CCc1cnc(CN(C)CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000175519536 416109204 /nfs/dbraw/zinc/10/92/04/416109204.db2.gz KOCMJZFYVOMVBE-NSHDSACASA-N 0 0 324.450 0.861 10 0 DCAERN Cc1nc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)no1 ZINC000175699665 416112734 /nfs/dbraw/zinc/11/27/34/416112734.db2.gz XJOBOGFPPJOXLC-ZDUSSCGKSA-N 0 0 315.333 0.761 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)C[C@H](C)O)cc1 ZINC000176135475 416121056 /nfs/dbraw/zinc/12/10/56/416121056.db2.gz CXFBCYYRQLNKPH-RYUDHWBXSA-N 0 0 308.378 0.948 10 0 DCAERN CC(CO)(CO)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000357724665 416121721 /nfs/dbraw/zinc/12/17/21/416121721.db2.gz DAQGNYMKEPCZJK-ZDUSSCGKSA-N 0 0 322.361 0.277 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000357727696 416123020 /nfs/dbraw/zinc/12/30/20/416123020.db2.gz BXFSRFLPPQDUCX-NSHDSACASA-N 0 0 312.414 0.553 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000328602766 416123237 /nfs/dbraw/zinc/12/32/37/416123237.db2.gz CWHRVACVYSJTRA-JTQLQIEISA-N 0 0 314.411 0.641 10 0 DCAERN CCNC(=O)C1CN(C(=O)COc2cccc(C(C)=O)c2)C1 ZINC000178131130 416157571 /nfs/dbraw/zinc/15/75/71/416157571.db2.gz UPADEABUBYKFBR-UHFFFAOYSA-N 0 0 304.346 0.863 10 0 DCAERN Cc1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c(C)n1 ZINC000176486270 416128419 /nfs/dbraw/zinc/12/84/19/416128419.db2.gz PFIQNNNNCOKXJL-INIZCTEOSA-N 0 0 307.394 0.511 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cn1 ZINC000176630503 416131455 /nfs/dbraw/zinc/13/14/55/416131455.db2.gz BKBLRIUDVXLIDK-QYJAPNMZSA-N 0 0 306.366 0.461 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328771316 416132521 /nfs/dbraw/zinc/13/25/21/416132521.db2.gz GWVCXIWYGIKUPK-YUSALJHKSA-N 0 0 317.349 0.340 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000176805365 416134988 /nfs/dbraw/zinc/13/49/88/416134988.db2.gz ZFROMYINARFEEC-UWVGGRQHSA-N 0 0 318.420 0.724 10 0 DCAERN COCCCOC1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C1 ZINC000176908778 416135582 /nfs/dbraw/zinc/13/55/82/416135582.db2.gz CEFXVKIRLVDTBC-NSHDSACASA-N 0 0 310.350 0.662 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1 ZINC000176824244 416135810 /nfs/dbraw/zinc/13/58/10/416135810.db2.gz DXEQFXKPWUVVFT-AWEZNQCLSA-N 0 0 310.375 0.587 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]21 ZINC000328871519 416136244 /nfs/dbraw/zinc/13/62/44/416136244.db2.gz DNIJWVXNQPPSNB-HUUCEWRRSA-N 0 0 304.394 0.765 10 0 DCAERN CN(C[C@@H]1CCOC1)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000177272319 416145193 /nfs/dbraw/zinc/14/51/93/416145193.db2.gz LSADQBHBTAEORT-KBPBESRZSA-N 0 0 305.378 0.761 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c(F)c1 ZINC000177629191 416150073 /nfs/dbraw/zinc/15/00/73/416150073.db2.gz NMDUKUCODMJJCW-JTQLQIEISA-N 0 0 317.324 0.795 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)no1 ZINC000177727920 416151793 /nfs/dbraw/zinc/15/17/93/416151793.db2.gz MXTGHXSUFWRRFW-DGCLKSJQSA-N 0 0 301.302 0.696 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000357923820 416154436 /nfs/dbraw/zinc/15/44/36/416154436.db2.gz DWDGXBGYTVOHSN-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN Cn1nccc1CNC(=O)CN1CCN(c2ccccn2)CC1 ZINC000174580795 416081386 /nfs/dbraw/zinc/08/13/86/416081386.db2.gz COAVOMVSFIRKKH-UHFFFAOYSA-N 0 0 314.393 0.254 10 0 DCAERN C[C@H]1OCCN(C(=O)NCc2cccnc2-n2cncn2)[C@H]1C ZINC000178549460 416166310 /nfs/dbraw/zinc/16/63/10/416166310.db2.gz UURROSCFAUZJIP-NWDGAFQWSA-N 0 0 316.365 0.981 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NCCn2ccnc2C)[nH]n1 ZINC000357985220 416166644 /nfs/dbraw/zinc/16/66/44/416166644.db2.gz WWCCTAAFJWZVOA-JTQLQIEISA-N 0 0 318.381 0.087 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000329432678 416170372 /nfs/dbraw/zinc/17/03/72/416170372.db2.gz KYOXZCRNBBEYBA-MGPQQGTHSA-N 0 0 318.439 0.148 10 0 DCAERN CNC(=O)[C@@H](Nc1ccc(C(=O)NCCOC)cn1)C(C)C ZINC000178842558 416174630 /nfs/dbraw/zinc/17/46/30/416174630.db2.gz KHTNHTGXBJUSDB-ZDUSSCGKSA-N 0 0 308.382 0.640 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000178862694 416174737 /nfs/dbraw/zinc/17/47/37/416174737.db2.gz MMBAVGBTQSREII-NSHDSACASA-N 0 0 320.349 0.335 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000178913792 416175658 /nfs/dbraw/zinc/17/56/58/416175658.db2.gz UJUOIJJEYFEQOB-OCCSQVGLSA-N 0 0 324.402 0.975 10 0 DCAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)C(=O)N(C)C ZINC000178874292 416176005 /nfs/dbraw/zinc/17/60/05/416176005.db2.gz RIUNFIBXMDTQTF-LBPRGKRZSA-N 0 0 321.425 0.861 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(C)C ZINC000178929082 416178063 /nfs/dbraw/zinc/17/80/63/416178063.db2.gz GLQLRJNNFGMBDB-JTQLQIEISA-N 0 0 302.400 0.086 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179047530 416181417 /nfs/dbraw/zinc/18/14/17/416181417.db2.gz GJQOJLOCARLUOM-RYUDHWBXSA-N 0 0 301.302 0.696 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000179155472 416183724 /nfs/dbraw/zinc/18/37/24/416183724.db2.gz PCSKYIUUEQHFFG-LLVKDONJSA-N 0 0 316.365 0.796 10 0 DCAERN CC[C@H](C(=O)N1CCN([C@@H](CC)CO)CC1)N1CCCC1=O ZINC000179409954 416187283 /nfs/dbraw/zinc/18/72/83/416187283.db2.gz LWXLWMDFTVXZBU-UONOGXRCSA-N 0 0 311.426 0.303 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000179536943 416189091 /nfs/dbraw/zinc/18/90/91/416189091.db2.gz GRAUSLKKRQGMMF-UHFFFAOYSA-N 0 0 317.349 0.868 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)N1CCO[C@H](CO)C1 ZINC000329805180 416190787 /nfs/dbraw/zinc/19/07/87/416190787.db2.gz AMHJRSTXOZALCO-LBPRGKRZSA-N 0 0 309.370 1.008 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000179735755 416192772 /nfs/dbraw/zinc/19/27/72/416192772.db2.gz DMRAZOGCXFDCGU-WCQYABFASA-N 0 0 314.769 0.266 10 0 DCAERN NC(=O)C1(CNc2cc(=O)n3ccccc3n2)CCOCC1 ZINC000180435626 416195534 /nfs/dbraw/zinc/19/55/34/416195534.db2.gz WFUPEKGRDJBPOD-UHFFFAOYSA-N 0 0 302.334 0.389 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nn1-c1ccccc1 ZINC000180269053 416196154 /nfs/dbraw/zinc/19/61/54/416196154.db2.gz PPNYTOWGNGGDCH-AWEZNQCLSA-N 0 0 314.345 0.507 10 0 DCAERN Cc1cc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)ccc1F ZINC000180505041 416197978 /nfs/dbraw/zinc/19/79/78/416197978.db2.gz DRBIPIFBCIZTGI-SNVBAGLBSA-N 0 0 321.352 0.867 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181349434 416206207 /nfs/dbraw/zinc/20/62/07/416206207.db2.gz PSYIBVMPJKYBIH-CQSZACIVSA-N 0 0 321.425 0.445 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@H]2Cc3ccccc3O2)cn1 ZINC000181331364 416206554 /nfs/dbraw/zinc/20/65/54/416206554.db2.gz OEKZRRDIHUJUPT-GOEBONIOSA-N 0 0 312.373 0.897 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccc3n[nH]nc3c2)cn1 ZINC000181442258 416208656 /nfs/dbraw/zinc/20/86/56/416208656.db2.gz LOHRCUKVEPHEOI-CQSZACIVSA-N 0 0 311.349 0.478 10 0 DCAERN COCCS(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733308 416210906 /nfs/dbraw/zinc/21/09/06/416210906.db2.gz MTSCMGFAZKJMOI-SNVBAGLBSA-N 0 0 302.400 0.282 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ncccc2C)CC1 ZINC000181714417 416211557 /nfs/dbraw/zinc/21/15/57/416211557.db2.gz MMRVMDBHIKNBSX-CQSZACIVSA-N 0 0 306.410 0.988 10 0 DCAERN CCOC(=O)[C@@H](CC(C)C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000182178487 416216238 /nfs/dbraw/zinc/21/62/38/416216238.db2.gz VLLWAAJVPDISSX-NWDGAFQWSA-N 0 0 306.428 0.588 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000358272763 416219368 /nfs/dbraw/zinc/21/93/68/416219368.db2.gz ZDENTQYAVUJKJN-FZMZJTMJSA-N 0 0 319.423 0.464 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182330864 416219640 /nfs/dbraw/zinc/21/96/40/416219640.db2.gz ZEGYVEDTPUJFCV-LLVKDONJSA-N 0 0 323.397 0.790 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cnn(CCC(F)(F)F)c2)C1 ZINC000182377363 416221959 /nfs/dbraw/zinc/22/19/59/416221959.db2.gz FVKFUFBWJBBFIU-LLVKDONJSA-N 0 0 320.315 0.896 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccccc2N2CCOCC2)n1 ZINC000182992020 416234774 /nfs/dbraw/zinc/23/47/74/416234774.db2.gz MCEWJWSJQCBWDN-UHFFFAOYSA-N 0 0 303.322 0.902 10 0 DCAERN O=C(NCc1ccccc1OCCO)N[C@H]1C=C[C@H](CO)C1 ZINC000358325178 416223513 /nfs/dbraw/zinc/22/35/13/416223513.db2.gz POVAPWDJQJVDPX-JSGCOSHPSA-N 0 0 306.362 0.794 10 0 DCAERN CCN(CCO)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182527190 416225285 /nfs/dbraw/zinc/22/52/85/416225285.db2.gz UGVMJBBGHWCXSN-CYBMUJFWSA-N 0 0 306.366 0.601 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000182681189 416227473 /nfs/dbraw/zinc/22/74/73/416227473.db2.gz PUOCGDZIBBYMQF-SNVBAGLBSA-N 0 0 302.400 0.221 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000358355582 416228717 /nfs/dbraw/zinc/22/87/17/416228717.db2.gz AMLUSKMKFRZGHB-MNOVXSKESA-N 0 0 321.443 0.475 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](CO)C1CC1 ZINC000358361134 416229457 /nfs/dbraw/zinc/22/94/57/416229457.db2.gz WHZIFSUFMFNISR-NEPJUHHUSA-N 0 0 300.424 0.823 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC1(CO)CCCC1)CC2 ZINC000178193932 416158884 /nfs/dbraw/zinc/15/88/84/416158884.db2.gz XCYOBLHTDVFSDN-LLVKDONJSA-N 0 0 307.398 0.760 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000178188310 416159571 /nfs/dbraw/zinc/15/95/71/416159571.db2.gz QNHOMPQNNKOFGP-JSGCOSHPSA-N 0 0 303.362 0.839 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000182839874 416232956 /nfs/dbraw/zinc/23/29/56/416232956.db2.gz JGXWLOPNIXACHB-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN C[C@@H](CNC(=O)NCc1cc(C(N)=O)co1)Cn1cccn1 ZINC000190394011 416278198 /nfs/dbraw/zinc/27/81/98/416278198.db2.gz BEIHAFKOVZXGSU-JTQLQIEISA-N 0 0 305.338 0.711 10 0 DCAERN CCN1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)CC1=O ZINC000189872384 416271133 /nfs/dbraw/zinc/27/11/33/416271133.db2.gz QMOZBWHGXCSYGA-UHFFFAOYSA-N 0 0 310.398 0.466 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cn[nH]n1 ZINC000192216329 416301791 /nfs/dbraw/zinc/30/17/91/416301791.db2.gz XHMZMXRGTQVRQJ-LLVKDONJSA-N 0 0 303.297 0.475 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c1 ZINC000192184788 416301858 /nfs/dbraw/zinc/30/18/58/416301858.db2.gz GILQVRYBPHBNSO-LBPRGKRZSA-N 0 0 314.411 0.268 10 0 DCAERN COc1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cc1O ZINC000359076751 416305393 /nfs/dbraw/zinc/30/53/93/416305393.db2.gz AXPCHEATAFIYGB-MRXNPFEDSA-N 0 0 318.329 0.952 10 0 DCAERN NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000192890067 416310873 /nfs/dbraw/zinc/31/08/73/416310873.db2.gz CZEJNIMCINKBRX-JTQLQIEISA-N 0 0 300.318 0.440 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(C)n2)C[C@H]1C ZINC000193277016 416314641 /nfs/dbraw/zinc/31/46/41/416314641.db2.gz KBRPVUZSDBJYRC-CYBMUJFWSA-N 0 0 320.393 0.508 10 0 DCAERN CCOCCCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000193904097 416320526 /nfs/dbraw/zinc/32/05/26/416320526.db2.gz ZFMFBNSLWVAWPM-UHFFFAOYSA-N 0 0 300.380 0.881 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)nc1C ZINC000194023259 416320970 /nfs/dbraw/zinc/32/09/70/416320970.db2.gz IJEXFQBIPDMDHQ-WDEREUQCSA-N 0 0 306.410 0.929 10 0 DCAERN COc1ccnc(NC2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000190437548 416279572 /nfs/dbraw/zinc/27/95/72/416279572.db2.gz XLBVTALPUWUIOF-UHFFFAOYSA-N 0 0 316.365 0.660 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCO2)cn1C ZINC000190788759 416283576 /nfs/dbraw/zinc/28/35/76/416283576.db2.gz LNRXMMXLIOPQHB-UHFFFAOYSA-N 0 0 301.368 0.443 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1ccccc1F ZINC000190980673 416283760 /nfs/dbraw/zinc/28/37/60/416283760.db2.gz NOSXVQZGFPZVPE-SNVBAGLBSA-N 0 0 300.355 0.866 10 0 DCAERN COC(=O)Cc1cccc(NC(=O)NCc2ccnn2C)n1 ZINC000191123073 416285253 /nfs/dbraw/zinc/28/52/53/416285253.db2.gz JCYATASSWMUNTR-UHFFFAOYSA-N 0 0 303.322 0.852 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)cn1 ZINC000191794873 416290830 /nfs/dbraw/zinc/29/08/30/416290830.db2.gz SAQDVTXXLLXHMH-ZDUSSCGKSA-N 0 0 322.409 0.965 10 0 DCAERN O=C(NCc1ccccc1OCCO)NC[C@@H](CO)C1CC1 ZINC000358942516 416295895 /nfs/dbraw/zinc/29/58/95/416295895.db2.gz LHSRYRDFDDRBGX-AWEZNQCLSA-N 0 0 308.378 0.875 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192046239 416298094 /nfs/dbraw/zinc/29/80/94/416298094.db2.gz HEXLBAJMTMEFPL-CMPLNLGQSA-N 0 0 308.382 0.926 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)S(=O)(=O)CC2)C1 ZINC000248668967 416333967 /nfs/dbraw/zinc/33/39/67/416333967.db2.gz PFCRQWQJBBWJFP-NWDGAFQWSA-N 0 0 324.468 0.472 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC12CCC2 ZINC000359440681 416346297 /nfs/dbraw/zinc/34/62/97/416346297.db2.gz RIIZFWZGZFXCEM-UHFFFAOYSA-N 0 0 300.366 1.021 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)[C@H]2CN(CC)CCO2)no1 ZINC000359490986 416348105 /nfs/dbraw/zinc/34/81/05/416348105.db2.gz CAOWZEHJXZBMBZ-WDEREUQCSA-N 0 0 312.370 0.504 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(CC2(S(C)(=O)=O)CCC2)C1=O ZINC000359495710 416348566 /nfs/dbraw/zinc/34/85/66/416348566.db2.gz LMNVAGMDRGPIOF-XOULXFPDSA-N 0 0 300.380 0.840 10 0 DCAERN Cc1cccc(CNC(=O)NCCS(=O)(=O)NC(C)C)n1 ZINC000194473706 416323819 /nfs/dbraw/zinc/32/38/19/416323819.db2.gz XPYSLRJLPAULCN-UHFFFAOYSA-N 0 0 314.411 0.517 10 0 DCAERN CCN(Cc1cnn(C)c1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000194986305 416325143 /nfs/dbraw/zinc/32/51/43/416325143.db2.gz BRJYLZYZGHPJEL-UHFFFAOYSA-N 0 0 307.354 0.099 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1nccnc1N)CC2 ZINC000195405535 416326096 /nfs/dbraw/zinc/32/60/96/416326096.db2.gz IFEYCSGWCUVMNG-VIFPVBQESA-N 0 0 301.354 0.519 10 0 DCAERN O=C(Nc1ccc(NC(=O)[C@H]2COCCN2)cc1)NC1CC1 ZINC000237923318 416329301 /nfs/dbraw/zinc/32/93/01/416329301.db2.gz URTVFFCZVOGKHK-CYBMUJFWSA-N 0 0 304.350 0.897 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCO[C@@H](C)C1 ZINC000245392076 416331105 /nfs/dbraw/zinc/33/11/05/416331105.db2.gz AFTAFYBVBSNBOX-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@]2(OC)CCOC2)n1 ZINC000360066315 416368607 /nfs/dbraw/zinc/36/86/07/416368607.db2.gz OQVDWORXNIKJCR-OAHLLOKOSA-N 0 0 309.366 0.737 10 0 DCAERN CCc1cnc(CNC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)s1 ZINC000360098008 416370240 /nfs/dbraw/zinc/37/02/40/416370240.db2.gz LYWBKVMXRBUPPS-NXEZZACHSA-N 0 0 311.407 0.551 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359822192 416361092 /nfs/dbraw/zinc/36/10/92/416361092.db2.gz LZRKZJUGLQBFQI-AWEZNQCLSA-N 0 0 320.389 0.950 10 0 DCAERN C[C@@H]1CCC[C@@]1(O)CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000359838311 416361886 /nfs/dbraw/zinc/36/18/86/416361886.db2.gz VQXCUJOXFFJMHP-UHOFOFEASA-N 0 0 308.378 0.267 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)nc1 ZINC000360313684 416385783 /nfs/dbraw/zinc/38/57/83/416385783.db2.gz BVDVJBGTSAHUQG-CQSZACIVSA-N 0 0 319.361 0.600 10 0 DCAERN COC1(CNC(=O)C(=O)N(C)CCCO)CCC(C)CC1 ZINC000360412502 416389124 /nfs/dbraw/zinc/38/91/24/416389124.db2.gz UPGKIONHZHTORZ-UHFFFAOYSA-N 0 0 300.399 0.539 10 0 DCAERN CCNC(=O)CC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360556995 416396175 /nfs/dbraw/zinc/39/61/75/416396175.db2.gz PTXGDFWPMBUBPK-CQSZACIVSA-N 0 0 306.362 0.819 10 0 DCAERN C[C@H](CN(C)C(=O)CN1CCOCC1=O)C(=O)OC(C)(C)C ZINC000458392765 416461840 /nfs/dbraw/zinc/46/18/40/416461840.db2.gz OKIRNTMJJNKXEU-LLVKDONJSA-N 0 0 314.382 0.281 10 0 DCAERN CN(CC(=O)NCCOCC1CCC1)c1ncnc2nc[nH]c21 ZINC000583598445 416475082 /nfs/dbraw/zinc/47/50/82/416475082.db2.gz ODGKZLUVFKJXTB-UHFFFAOYSA-N 0 0 318.381 0.722 10 0 DCAERN Cc1conc1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000434447746 416478413 /nfs/dbraw/zinc/47/84/13/416478413.db2.gz DEPSNYCQLGOXFG-UHFFFAOYSA-N 0 0 315.333 1.555 10 0 DCAERN CC(C)n1cc([C@]2(O)CCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000583616430 416479134 /nfs/dbraw/zinc/47/91/34/416479134.db2.gz PWKHKDCLLKNKDQ-LBPRGKRZSA-N 0 0 300.384 0.245 10 0 DCAERN CC(C)NC(=O)CNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361698850 416479247 /nfs/dbraw/zinc/47/92/47/416479247.db2.gz LDRNLLGOWMEQPU-UHFFFAOYSA-N 0 0 309.370 0.123 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000583620981 416480218 /nfs/dbraw/zinc/48/02/18/416480218.db2.gz ZRNJXZKDQHACKG-KRWDZBQOSA-N 0 0 320.389 0.855 10 0 DCAERN CN(Cc1nnnn1C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000583619942 416480814 /nfs/dbraw/zinc/48/08/14/416480814.db2.gz GHEIWFROPDGPEL-HOCLYGCPSA-N 0 0 316.409 0.714 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000361097413 416421117 /nfs/dbraw/zinc/42/11/17/416421117.db2.gz QPXRYGOXPBVILU-HZSPNIEDSA-N 0 0 312.410 0.681 10 0 DCAERN CC[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](OC)C1)C1CCOCC1 ZINC000361105166 416421644 /nfs/dbraw/zinc/42/16/44/416421644.db2.gz VGBOMQWOXVQLJP-MCIONIFRSA-N 0 0 312.410 0.992 10 0 DCAERN CC(C)C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361132412 416422548 /nfs/dbraw/zinc/42/25/48/416422548.db2.gz PLWMPVWCXFINJY-CHWSQXEVSA-N 0 0 300.399 0.537 10 0 DCAERN Cn1cc(C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)nn1 ZINC000535592205 416523493 /nfs/dbraw/zinc/52/34/93/416523493.db2.gz BWQGLBKSVZPPIL-JOCHJYFZSA-N 0 0 322.346 0.431 10 0 DCAERN C[C@H](CN1CCOCC1)C(=O)N1CCSC[C@H]1CCO ZINC000535797420 416532324 /nfs/dbraw/zinc/53/23/24/416532324.db2.gz DOGYKEQHKWAHTM-CHWSQXEVSA-N 0 0 302.440 0.281 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2nncn2-c2ccccc2)n1 ZINC000435782087 416535178 /nfs/dbraw/zinc/53/51/78/416535178.db2.gz NUMWPEPFGRCMOA-UHFFFAOYSA-N 0 0 311.301 0.659 10 0 DCAERN C[C@H](CO)N(CC1CCC1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000435845747 416538397 /nfs/dbraw/zinc/53/83/97/416538397.db2.gz MXGCUUXUASFDNW-DYVFJYSZSA-N 0 0 322.405 0.609 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC000362038256 416548562 /nfs/dbraw/zinc/54/85/62/416548562.db2.gz OZJSFLNGQLGVEV-CYBMUJFWSA-N 0 0 324.425 0.602 10 0 DCAERN NC(=O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000537146189 416553227 /nfs/dbraw/zinc/55/32/27/416553227.db2.gz ULSBAFGPPPSJQP-NSHDSACASA-N 0 0 322.390 0.585 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H]2CC2(C)C)c1C ZINC000361763645 416492484 /nfs/dbraw/zinc/49/24/84/416492484.db2.gz IQAPYCTXFJBFCD-JTQLQIEISA-N 0 0 308.338 0.218 10 0 DCAERN CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CCC12CCCC2 ZINC000458722703 416494859 /nfs/dbraw/zinc/49/48/59/416494859.db2.gz OBQSEUYOUOWDOJ-LLVKDONJSA-N 0 0 318.443 0.404 10 0 DCAERN O=C(NCCCc1ccccc1F)NC[C@H](O)Cn1ccnn1 ZINC000458754441 416497380 /nfs/dbraw/zinc/49/73/80/416497380.db2.gz WMUOYWBUCXTDNT-ZDUSSCGKSA-N 0 0 321.356 0.710 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)n1 ZINC000534287857 416497652 /nfs/dbraw/zinc/49/76/52/416497652.db2.gz JQVMSURRUSGFPM-ZDUSSCGKSA-N 0 0 300.366 0.893 10 0 DCAERN CCc1nc(NC(=O)C(=O)N(C)Cc2nnnn2C)sc1C ZINC000434818064 416497966 /nfs/dbraw/zinc/49/79/66/416497966.db2.gz UPEPPJNKHMWAGR-UHFFFAOYSA-N 0 0 323.382 0.135 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccn(C)n2)c1 ZINC000535029102 416513165 /nfs/dbraw/zinc/51/31/65/416513165.db2.gz MXNQACWQLRSDKM-UHFFFAOYSA-N 0 0 322.390 0.567 10 0 DCAERN COc1ccc(O[C@@H](C)C(=O)NCCn2cnccc2=O)cc1 ZINC000585238300 416520068 /nfs/dbraw/zinc/52/00/68/416520068.db2.gz YQPMXBPLXSGDJD-LBPRGKRZSA-N 0 0 317.345 0.836 10 0 DCAERN C[S@](=O)C1(CNC(=O)N2CCSC[C@@H]2CCO)CCC1 ZINC000438599963 416599955 /nfs/dbraw/zinc/59/99/55/416599955.db2.gz SUIKUPBYIZBMEJ-YBTHPKLGSA-N 0 0 320.480 0.797 10 0 DCAERN c1nc(N2CCCC2)ncc1CN1CCN2CCOC[C@H]2C1 ZINC000541761821 416613636 /nfs/dbraw/zinc/61/36/36/416613636.db2.gz BWEZBNLURCRHPV-OAHLLOKOSA-N 0 0 303.410 0.593 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)c1O ZINC000436715916 416567571 /nfs/dbraw/zinc/56/75/71/416567571.db2.gz MQSMWXSZFFFBJV-WDEREUQCSA-N 0 0 322.361 0.887 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)cc1O ZINC000436716764 416568605 /nfs/dbraw/zinc/56/86/05/416568605.db2.gz QWWRIGPSFMMNGG-WDEREUQCSA-N 0 0 322.361 0.887 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cn2cccnc2n1 ZINC000538699992 416571564 /nfs/dbraw/zinc/57/15/64/416571564.db2.gz ZTPXDRIJWLFTPW-JQWIXIFHSA-N 0 0 318.333 0.522 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000547345322 416678712 /nfs/dbraw/zinc/67/87/12/416678712.db2.gz MKWSMARAFAUVQW-MNOVXSKESA-N 0 0 311.386 1.037 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2ccc(C(N)=O)cn2)no1 ZINC000441710414 416680072 /nfs/dbraw/zinc/68/00/72/416680072.db2.gz XOXYABVSEXKJHW-UHFFFAOYSA-N 0 0 303.322 0.791 10 0 DCAERN CC(C)[C@@H](CNC(=O)c1cccc2ncnn21)N1CCOCC1 ZINC000542477643 416623842 /nfs/dbraw/zinc/62/38/42/416623842.db2.gz GMOYUZKCVREIBB-CQSZACIVSA-N 0 0 317.393 0.816 10 0 DCAERN O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc2ncnn21 ZINC000542499731 416625208 /nfs/dbraw/zinc/62/52/08/416625208.db2.gz PXXBJAVOOYNBJH-NHYWBVRUSA-N 0 0 302.334 0.797 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@](C)(O)C2CC2)[C@H]1c1cccnc1 ZINC000608472289 416650981 /nfs/dbraw/zinc/65/09/81/416650981.db2.gz NXKYMBYTLIWBGF-LXZKKBNFSA-N 0 0 317.389 0.878 10 0 DCAERN Cn1cc([C@H]2[C@H](C(=O)N3CCC=C(F)C3)OCC(=O)N2C)cn1 ZINC000369293628 416746505 /nfs/dbraw/zinc/74/65/05/416746505.db2.gz LZJSUGRNWSWKKG-UONOGXRCSA-N 0 0 322.340 0.404 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000442079860 416686362 /nfs/dbraw/zinc/68/63/62/416686362.db2.gz LTRRGQRGDCNZEP-NSHDSACASA-N 0 0 312.395 0.168 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCC(=O)N2CCCC2)no1 ZINC000442141569 416686708 /nfs/dbraw/zinc/68/67/08/416686708.db2.gz UKXZFYRRZMNATN-UHFFFAOYSA-N 0 0 309.370 0.789 10 0 DCAERN O=S(=O)(CCc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000368725977 416686840 /nfs/dbraw/zinc/68/68/40/416686840.db2.gz AJRRVHOSWFTSHF-OAHLLOKOSA-N 0 0 310.419 0.575 10 0 DCAERN O=C(NCc1nnc2ccccn21)[C@]12CCC(=O)N1CCS2 ZINC000514977766 416687539 /nfs/dbraw/zinc/68/75/39/416687539.db2.gz LISMBZOMHQFCHD-CQSZACIVSA-N 0 0 317.374 0.411 10 0 DCAERN COc1ccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)c(C)n1 ZINC000442421454 416694362 /nfs/dbraw/zinc/69/43/62/416694362.db2.gz RQUAKXIZGBEQBK-UHFFFAOYSA-N 0 0 319.321 0.687 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816425 416694919 /nfs/dbraw/zinc/69/49/19/416694919.db2.gz KAZTXDJRADQGGC-AWEZNQCLSA-N 0 0 318.377 0.351 10 0 DCAERN O=C(CCOCC(F)(F)C(F)F)N1CC(n2ccnn2)C1 ZINC000368978081 416711755 /nfs/dbraw/zinc/71/17/55/416711755.db2.gz OELHDECDSDYKHT-UHFFFAOYSA-N 0 0 310.251 0.969 10 0 DCAERN COC[C@H](NC(=O)Nc1ncn(C(C)(C)C)n1)[C@@H]1CCCO1 ZINC000555800605 416712608 /nfs/dbraw/zinc/71/26/08/416712608.db2.gz RCVOEEIOMIYJNR-QWRGUYRKSA-N 0 0 311.386 1.349 10 0 DCAERN Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccccc1=O)CC2 ZINC000556829536 416715730 /nfs/dbraw/zinc/71/57/30/416715730.db2.gz NYIBIQVVXGTGNV-VIFPVBQESA-N 0 0 304.375 0.561 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)c2cnn(C)c2N)(C(=O)OC)C1(C)C ZINC000614902816 416722714 /nfs/dbraw/zinc/72/27/14/416722714.db2.gz AHDWHYRPZNIZEC-BONVTDFDSA-N 0 0 324.381 0.479 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000369166075 416730459 /nfs/dbraw/zinc/73/04/59/416730459.db2.gz JXMPVHWIAVYANP-PWSUYJOCSA-N 0 0 318.333 0.405 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000369389601 416762134 /nfs/dbraw/zinc/76/21/34/416762134.db2.gz QLKHZIGJTHRWKW-HIFRSBDPSA-N 0 0 306.362 0.272 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N2CC(C)(CO)C2)cc1 ZINC000516981010 416768054 /nfs/dbraw/zinc/76/80/54/416768054.db2.gz GBXIVDHWBGCLLW-UHFFFAOYSA-N 0 0 312.391 0.672 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCSC[C@@H]1CCO ZINC000558500570 416773841 /nfs/dbraw/zinc/77/38/41/416773841.db2.gz QBCIPJMRDNKESD-LBPRGKRZSA-N 0 0 310.423 1.551 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000443768924 416781534 /nfs/dbraw/zinc/78/15/34/416781534.db2.gz GATLGZCILIKKPY-OAHLLOKOSA-N 0 0 323.397 0.735 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNc2nc(C)ncc2C)CC1 ZINC000517206563 416786726 /nfs/dbraw/zinc/78/67/26/416786726.db2.gz VVOWYHKPMKBAIS-UHFFFAOYSA-N 0 0 305.382 0.586 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@](C)(O)CC2)CC1=O ZINC000369623890 416804945 /nfs/dbraw/zinc/80/49/45/416804945.db2.gz UZNZIHVDQGPENP-FOCJUVANSA-N 0 0 309.410 0.942 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](OC)C2)cc1 ZINC000615296686 416806005 /nfs/dbraw/zinc/80/60/05/416806005.db2.gz FGVMEECNTHMQLE-LBPRGKRZSA-N 0 0 315.347 0.467 10 0 DCAERN CC1(C)CCC(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000518590389 416864382 /nfs/dbraw/zinc/86/43/82/416864382.db2.gz JZSCAJVTBYOMAD-UHFFFAOYSA-N 0 0 321.421 0.905 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)c2ncn(C)n2)c1 ZINC000445195018 416890557 /nfs/dbraw/zinc/89/05/57/416890557.db2.gz LQNGNWQYZURFBB-QMMMGPOBSA-N 0 0 321.312 0.779 10 0 DCAERN CN1CCN(CC(=O)Nc2cccc(CCCO)c2)CC1=O ZINC000444299658 416830226 /nfs/dbraw/zinc/83/02/26/416830226.db2.gz CMRHRYWYAFXELP-UHFFFAOYSA-N 0 0 305.378 0.324 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccncc1 ZINC000623545352 416840579 /nfs/dbraw/zinc/84/05/79/416840579.db2.gz JNPWNXADLLEHPS-UHFFFAOYSA-N 0 0 306.366 0.252 10 0 DCAERN CCOCC[C@H](O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000444651096 416857200 /nfs/dbraw/zinc/85/72/00/416857200.db2.gz FRPZTULRPXCQJM-AWEZNQCLSA-N 0 0 317.393 0.943 10 0 DCAERN COC(=O)[C@@H](NCc1ccc(S(N)(=O)=O)c(C)c1)C1CC1 ZINC000447036265 416961101 /nfs/dbraw/zinc/96/11/01/416961101.db2.gz DGUAXCKJIIKNAB-ZDUSSCGKSA-N 0 0 312.391 0.684 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000372093792 416928342 /nfs/dbraw/zinc/92/83/42/416928342.db2.gz HRLZVHPTPLZINM-MEDUHNTESA-N 0 0 323.393 0.925 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000519713007 416928893 /nfs/dbraw/zinc/92/88/93/416928893.db2.gz RLZOQPKXELEQDG-WCQYABFASA-N 0 0 307.394 0.515 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615939402 416938796 /nfs/dbraw/zinc/93/87/96/416938796.db2.gz WAGTWIAHEDNGSI-SEVUFMINSA-N 0 0 301.412 0.683 10 0 DCAERN Cc1ccc(F)c(CCNC(=O)c2nc3n(n2)CCCN3)c1 ZINC000615953949 416944048 /nfs/dbraw/zinc/94/40/48/416944048.db2.gz VPBQRPHTPIPUDH-UHFFFAOYSA-N 0 0 303.341 0.771 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCO[C@]3(CCCOC3)C2)C1=O ZINC000375624100 417007405 /nfs/dbraw/zinc/00/74/05/417007405.db2.gz NGFRBIBXGCGPAD-OAHLLOKOSA-N 0 0 311.382 0.198 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1 ZINC000521420043 417010473 /nfs/dbraw/zinc/01/04/73/417010473.db2.gz AUYOPXRHBHWKGT-NWDGAFQWSA-N 0 0 316.404 0.411 10 0 DCAERN c1cnn(Cc2noc(-c3ccnc(N4CCOCC4)n3)n2)c1 ZINC000624467563 417042689 /nfs/dbraw/zinc/04/26/89/417042689.db2.gz ABHYTEKIFPMMJG-UHFFFAOYSA-N 0 0 313.321 0.608 10 0 DCAERN CN(Cc1cnccn1)C(=O)CNC(=O)c1ccc(O)cc1 ZINC000522779793 417066834 /nfs/dbraw/zinc/06/68/34/417066834.db2.gz HBXKJCQIBAOIPV-UHFFFAOYSA-N 0 0 300.318 0.571 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cc(C)no1 ZINC000624642049 417077850 /nfs/dbraw/zinc/07/78/50/417077850.db2.gz NQNIYRMLSCLOQC-UHFFFAOYSA-N 0 0 324.381 0.409 10 0 DCAERN CNc1ncc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)s1 ZINC000378322341 417078408 /nfs/dbraw/zinc/07/84/08/417078408.db2.gz WAKKLELPXPDTEN-VIFPVBQESA-N 0 0 309.395 0.815 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000448484568 417079775 /nfs/dbraw/zinc/07/97/75/417079775.db2.gz FHFSNZLWDJHHDR-WOPDTQHZSA-N 0 0 306.366 0.630 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2ccccc2CCO)CC1 ZINC000616593738 417083690 /nfs/dbraw/zinc/08/36/90/417083690.db2.gz KYXKPBCAUYNFMF-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616615980 417084033 /nfs/dbraw/zinc/08/40/33/417084033.db2.gz IIBCSTKZJLUKNY-LLVKDONJSA-N 0 0 304.393 0.476 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1CNCCN1S(N)(=O)=O ZINC000616640069 417086896 /nfs/dbraw/zinc/08/68/96/417086896.db2.gz VOMDTDGBQCRARB-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cncnc1 ZINC000616638969 417087910 /nfs/dbraw/zinc/08/79/10/417087910.db2.gz PFKHCOYWNWQRJG-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN CCOC(=O)c1cccc([C@H]2COCCN2S(N)(=O)=O)c1 ZINC000616641491 417088198 /nfs/dbraw/zinc/08/81/98/417088198.db2.gz KSALFYIJXFCQOW-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN CC(=O)Nc1ccc([C@H]2CN(S(N)(=O)=O)CCCO2)cc1 ZINC000616659729 417089008 /nfs/dbraw/zinc/08/90/08/417089008.db2.gz QRPUGWVRFYBXKS-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1COCCN(S(C)(=O)=O)C1 ZINC000616664454 417089655 /nfs/dbraw/zinc/08/96/55/417089655.db2.gz TYBITRQIQNRBCP-JTQLQIEISA-N 0 0 308.400 0.514 10 0 DCAERN CS(=O)(=O)N1CCOC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616664803 417089667 /nfs/dbraw/zinc/08/96/67/417089667.db2.gz YXVSOAPJJDKHKQ-LBPRGKRZSA-N 0 0 319.404 0.121 10 0 DCAERN Nc1cccc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)n1 ZINC000616680053 417094631 /nfs/dbraw/zinc/09/46/31/417094631.db2.gz JQLNOWIKNHMWDT-NSHDSACASA-N 0 0 305.363 0.841 10 0 DCAERN O=S(=O)(CC1CCCCC1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404116727 417118891 /nfs/dbraw/zinc/11/88/91/417118891.db2.gz GBFKEKRLHZBYLV-ZIAGYGMSSA-N 0 0 302.440 0.959 10 0 DCAERN CS(=O)(=O)CC1(CN2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000407947446 417127736 /nfs/dbraw/zinc/12/77/36/417127736.db2.gz DMNUKKGAERHMNB-JTQLQIEISA-N 0 0 301.330 0.810 10 0 DCAERN CC1CCC(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000407440827 417127916 /nfs/dbraw/zinc/12/79/16/417127916.db2.gz UILSREWNVBWWGV-YIFLHPOLSA-N 0 0 302.440 0.646 10 0 DCAERN CC1CN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000407981632 417129965 /nfs/dbraw/zinc/12/99/65/417129965.db2.gz UOLVJVHGWNINIU-CQSZACIVSA-N 0 0 309.366 0.080 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000407961107 417126936 /nfs/dbraw/zinc/12/69/36/417126936.db2.gz AUBASOQJKKKCDD-XQQFMLRXSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H]1CN(CCCO[C@H]2CCCCO2)CCN1S(C)(=O)=O ZINC000407982108 417130617 /nfs/dbraw/zinc/13/06/17/417130617.db2.gz FEBOWWAWKITGDQ-KBPBESRZSA-N 0 0 320.455 0.885 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000408006490 417134277 /nfs/dbraw/zinc/13/42/77/417134277.db2.gz BBMUVKOWKQLWKT-NSHDSACASA-N 0 0 313.427 0.825 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2ccc(C(=O)OC)[nH]2)CC12COC2 ZINC000449356248 417144917 /nfs/dbraw/zinc/14/49/17/417144917.db2.gz BHWBQXQXCDCBKM-GFCCVEGCSA-N 0 0 322.361 0.813 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)cc1C ZINC000408229319 417148407 /nfs/dbraw/zinc/14/84/07/417148407.db2.gz PVGNMFWLWMIEQA-UHFFFAOYSA-N 0 0 308.363 0.805 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408282572 417150330 /nfs/dbraw/zinc/15/03/30/417150330.db2.gz YPUHZCISKMXSFK-UONOGXRCSA-N 0 0 311.426 0.158 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CCC1 ZINC000408314242 417153185 /nfs/dbraw/zinc/15/31/85/417153185.db2.gz RXTMWKQLEUJCQI-CYBMUJFWSA-N 0 0 314.407 0.082 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC000408322932 417153279 /nfs/dbraw/zinc/15/32/79/417153279.db2.gz WMDKHDPEBPOMTA-IJLUTSLNSA-N 0 0 317.407 0.611 10 0 DCAERN COCc1ncc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(N)n1 ZINC000408305387 417154864 /nfs/dbraw/zinc/15/48/64/417154864.db2.gz JKQZUCQMWWYXJQ-NWDGAFQWSA-N 0 0 306.366 0.989 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCO[C@H](CO)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000408369968 417156657 /nfs/dbraw/zinc/15/66/57/417156657.db2.gz FDUOCWFGCAIFTD-KBXIAJHMSA-N 0 0 314.426 0.340 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)NCCN1CCCS1(=O)=O ZINC000432525393 417186135 /nfs/dbraw/zinc/18/61/35/417186135.db2.gz VKALQRVHXYBITH-LBPRGKRZSA-N 0 0 318.439 0.924 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)[C@H]1CCNC(=O)C1 ZINC000568903878 417195076 /nfs/dbraw/zinc/19/50/76/417195076.db2.gz ZIXZOCPMGPHNGL-NWDGAFQWSA-N 0 0 304.346 0.859 10 0 DCAERN Cn1cc(C(=O)CCC(=O)NCc2nnc3ccccn32)cn1 ZINC000526971174 417195557 /nfs/dbraw/zinc/19/55/57/417195557.db2.gz SULLILJORBREAB-UHFFFAOYSA-N 0 0 312.333 0.742 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(F)c2)C1 ZINC000450123174 417198746 /nfs/dbraw/zinc/19/87/46/417198746.db2.gz VSJLANMSJOWLTF-LLVKDONJSA-N 0 0 309.341 0.994 10 0 DCAERN COc1ccc(C(=O)C[C@H](C)C(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000450448897 417227056 /nfs/dbraw/zinc/22/70/56/417227056.db2.gz CLNMTOWROIHSDP-JQWIXIFHSA-N 0 0 304.346 0.909 10 0 DCAERN O=C(NCCOCC1CCC1)N[C@H](CO)C1CCOCC1 ZINC000570445553 417350437 /nfs/dbraw/zinc/35/04/37/417350437.db2.gz MXVKIVPLNIZUDN-CQSZACIVSA-N 0 0 300.399 0.890 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)C(F)F ZINC000451078131 417299409 /nfs/dbraw/zinc/29/94/09/417299409.db2.gz DZHLPJJKKUOELI-MRVPVSSYSA-N 0 0 309.338 0.707 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N[C@@H](C)C(C)C)CC12COC2 ZINC000451125058 417303718 /nfs/dbraw/zinc/30/37/18/417303718.db2.gz KDFBPHNNHKVMDR-QWHCGFSZSA-N 0 0 312.410 0.659 10 0 DCAERN COC(=O)c1n[nH]c2c1CN(CC(=O)N(C)CC1CC1)CC2 ZINC000451739879 417390581 /nfs/dbraw/zinc/39/05/81/417390581.db2.gz VXBMPGRDXNQSOF-UHFFFAOYSA-N 0 0 306.366 0.423 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000633322267 417408978 /nfs/dbraw/zinc/40/89/78/417408978.db2.gz YWGATIIMTFJIAA-CHWSQXEVSA-N 0 0 316.423 0.423 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1c1cn[nH]n1 ZINC000622168942 417412919 /nfs/dbraw/zinc/41/29/19/417412919.db2.gz VRTGHWUGLGJUOT-WCQYABFASA-N 0 0 312.333 0.707 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1c1cn[nH]n1 ZINC000622169309 417413652 /nfs/dbraw/zinc/41/36/52/417413652.db2.gz GIXAWDSUWWHFEH-WCQYABFASA-N 0 0 316.365 0.520 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CC(=O)NC1CC1 ZINC000451670165 417376991 /nfs/dbraw/zinc/37/69/91/417376991.db2.gz IPIDAXZISKDZDB-UHFFFAOYSA-N 0 0 303.362 0.582 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)N(C)Cc1cnccn1 ZINC000438798675 287376277 /nfs/dbraw/zinc/37/62/77/287376277.db2.gz YSZIUVQCRUDPNX-UHFFFAOYSA-N 0 0 315.333 0.786 10 0 DCAERN NC(=O)C[C@]1(O)CCCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806735 417380536 /nfs/dbraw/zinc/38/05/36/417380536.db2.gz IEBYPEYSECMSNS-MRXNPFEDSA-N 0 0 315.377 0.470 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)NC ZINC000452087885 417445228 /nfs/dbraw/zinc/44/52/28/417445228.db2.gz PPTWVIRUWKTKHY-LLVKDONJSA-N 0 0 314.363 0.276 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC[C@@H](C)F ZINC000627535310 417452642 /nfs/dbraw/zinc/45/26/42/417452642.db2.gz JWKZQIVCSNGFTL-SECBINFHSA-N 0 0 303.378 0.660 10 0 DCAERN CCOCC1(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000452224655 417459618 /nfs/dbraw/zinc/45/96/18/417459618.db2.gz PRCYUIBZGBKKAV-LBPRGKRZSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@H](C)COC)CC12COC2 ZINC000452218167 417459690 /nfs/dbraw/zinc/45/96/90/417459690.db2.gz FEXJMMFYWAJEEV-UPJWGTAASA-N 0 0 313.394 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccncc2)CC12COC2 ZINC000452249701 417461788 /nfs/dbraw/zinc/46/17/88/417461788.db2.gz BPRAFGQRSUMIMY-CYBMUJFWSA-N 0 0 304.346 0.662 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)Nc1nn[nH]n1)CC2 ZINC000439008876 287380483 /nfs/dbraw/zinc/38/04/83/287380483.db2.gz KKXZBWMRTNEDPV-UHFFFAOYSA-N 0 0 318.337 0.214 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCC(C)(C)[C@]1(O)CCOC1)C(C)C ZINC000627922812 417531886 /nfs/dbraw/zinc/53/18/86/417531886.db2.gz KYRLKXWKJRXWDE-DOMZBBRYSA-N 0 0 300.399 0.441 10 0 DCAERN O=C(c1nn2c(c1Br)OCCC2)N1CCOCC1 ZINC000575601976 417539022 /nfs/dbraw/zinc/53/90/22/417539022.db2.gz GISYGOSMVRFULR-UHFFFAOYSA-N 0 0 316.155 0.901 10 0 DCAERN CCO[C@]1(C(=O)NCc2n[nH]cc2Br)CCOC1 ZINC000644350387 417544867 /nfs/dbraw/zinc/54/48/67/417544867.db2.gz MCRAMKOKYZSZJU-LLVKDONJSA-N 0 0 318.171 0.984 10 0 DCAERN CCc1noc(C)c1CNC(=O)NCCNc1cnccn1 ZINC000455007476 417589191 /nfs/dbraw/zinc/58/91/91/417589191.db2.gz GOVNYJAKOKVRDE-UHFFFAOYSA-N 0 0 304.354 1.247 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1ccc2c(n1)CCC2 ZINC000644494946 417602062 /nfs/dbraw/zinc/60/20/62/417602062.db2.gz HATTZEWRZABRHK-CYBMUJFWSA-N 0 0 303.362 0.882 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](CC)COC)CC12COC2 ZINC000454554570 417567995 /nfs/dbraw/zinc/56/79/95/417567995.db2.gz YNOXWWDIUMAMBU-NWDGAFQWSA-N 0 0 314.382 0.633 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N[C@H](C)c1cncc(F)c1)N(C)C2 ZINC000644409617 417568790 /nfs/dbraw/zinc/56/87/90/417568790.db2.gz KXJSIGVFDGNHGU-NOZJJQNGSA-N 0 0 318.356 0.812 10 0 DCAERN CC(=O)c1nc(N2CC[C@@H](NS(C)(=O)=O)C2)sc1C ZINC000576579002 417619827 /nfs/dbraw/zinc/61/98/27/417619827.db2.gz WEDIUBJFCORBGT-SECBINFHSA-N 0 0 303.409 0.782 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@](O)(C(F)F)C1)C1CCCC1 ZINC000456122140 417626516 /nfs/dbraw/zinc/62/65/16/417626516.db2.gz VXMPRXWPXDWPFQ-SMDDNHRTSA-N 0 0 304.337 0.910 10 0 DCAERN COC[C@](C)(O)CNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000531887478 417647432 /nfs/dbraw/zinc/64/74/32/417647432.db2.gz UDNRQGUDVPPGTK-OAHLLOKOSA-N 0 0 304.350 0.459 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](C)OC[C@@H]2CCCO2)C1 ZINC000532120279 417659660 /nfs/dbraw/zinc/65/96/60/417659660.db2.gz FWSPYSFFNQNYQD-AVGNSLFASA-N 0 0 313.398 0.491 10 0 DCAERN CC(C)(O)C(C)(C)CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000456805259 417665272 /nfs/dbraw/zinc/66/52/72/417665272.db2.gz WLDVYLOGXRVRER-MRXNPFEDSA-N 0 0 310.394 0.513 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000532165297 417665597 /nfs/dbraw/zinc/66/55/97/417665597.db2.gz SEGYABIGFQWPAL-SKDRFNHKSA-N 0 0 316.404 0.507 10 0 DCAERN Cn1nnc2cc(C(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cnc21 ZINC000580501700 417705533 /nfs/dbraw/zinc/70/55/33/417705533.db2.gz NKSRJTLIGBCNHF-LLVKDONJSA-N 0 0 313.321 1.190 10 0 DCAERN O=C(CN1CCOCC1)N1CCO[C@H](COc2ccccc2)C1 ZINC000580509052 417708596 /nfs/dbraw/zinc/70/85/96/417708596.db2.gz YCDKXESPEXOYBH-INIZCTEOSA-N 0 0 320.389 0.625 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000457968464 417713450 /nfs/dbraw/zinc/71/34/50/417713450.db2.gz ILNVWENFDRZAGJ-FZMZJTMJSA-N 0 0 321.356 0.881 10 0 DCAERN CCOc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458123002 417724125 /nfs/dbraw/zinc/72/41/25/417724125.db2.gz ICWDDZFESGBAKE-GFCCVEGCSA-N 0 0 320.349 0.233 10 0 DCAERN CC(C)COc1ncccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458140393 417725681 /nfs/dbraw/zinc/72/56/81/417725681.db2.gz NHUAUNIUKFRYPQ-GFCCVEGCSA-N 0 0 319.365 0.499 10 0 DCAERN O=C1CN(C[C@H](O)CC2(O)CCOCC2)[C@@H]2CCCC[C@@H]2N1 ZINC000630037257 417805729 /nfs/dbraw/zinc/80/57/29/417805729.db2.gz JJJXVISGDMNZTG-HZSPNIEDSA-N 0 0 312.410 0.022 10 0 DCAERN CCS(=O)(=O)C1(CNCc2c(C)nn(C)c2OC)CC1 ZINC000657757608 417901926 /nfs/dbraw/zinc/90/19/26/417901926.db2.gz LFSOWYABSJUKIG-UHFFFAOYSA-N 0 0 301.412 0.794 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000664271143 418107496 /nfs/dbraw/zinc/10/74/96/418107496.db2.gz JRUKIERBTNZMNV-CRCLSJGQSA-N 0 0 317.314 0.781 10 0 DCAERN CN1C[C@@H](CNS(=O)(=O)c2ccc(N)cc2F)CC1=O ZINC000659948667 418206486 /nfs/dbraw/zinc/20/64/86/418206486.db2.gz QXELAWQZEPIZIE-MRVPVSSYSA-N 0 0 301.343 0.165 10 0 DCAERN CCOC(=O)CN(C(=O)CS(=O)(=O)C1CC1)C1CCC1 ZINC000450921816 287453812 /nfs/dbraw/zinc/45/38/12/287453812.db2.gz KSHWEFXIYLKQAG-UHFFFAOYSA-N 0 0 303.380 0.508 10 0 DCAERN CCO[C@H]1C[C@@](O)(CNC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451110056 287456040 /nfs/dbraw/zinc/45/60/40/287456040.db2.gz BUEGNLDLUWBFAW-XJKSGUPXSA-N 0 0 309.410 0.953 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(Cl)cn1 ZINC000182137799 545903757 /nfs/dbraw/zinc/90/37/57/545903757.db2.gz DPWIEPXETPLDFV-UHFFFAOYSA-N 0 0 310.741 0.682 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000471984876 287519931 /nfs/dbraw/zinc/51/99/31/287519931.db2.gz IUOFWPZMTHBPCE-JQWIXIFHSA-N 0 0 309.370 0.660 10 0 DCAERN COC[C@H](NC(=O)CSCC(N)=O)c1ccc(F)cc1 ZINC000487951887 287542156 /nfs/dbraw/zinc/54/21/56/287542156.db2.gz RXZOUOXEVNNFJO-NSHDSACASA-N 0 0 300.355 0.848 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccnc1OC ZINC000488287729 287548369 /nfs/dbraw/zinc/54/83/69/287548369.db2.gz QVRSKBOLVOSZEB-VHSXEESVSA-N 0 0 323.349 0.276 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3cccnc3C)CC[C@@H]21 ZINC000299740535 229373562 /nfs/dbraw/zinc/37/35/62/229373562.db2.gz BKPMPJMWYLBXIF-KGLIPLIRSA-N 0 0 318.377 0.645 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCC[C@@H](O)COC ZINC000230148834 545947975 /nfs/dbraw/zinc/94/79/75/545947975.db2.gz IQJMUDDCNBRBMF-LLVKDONJSA-N 0 0 302.396 0.794 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C[C@H]2CCCCO2)cc1 ZINC000074640893 261106435 /nfs/dbraw/zinc/10/64/35/261106435.db2.gz VZVWINJIPBNDRG-GFCCVEGCSA-N 0 0 312.391 0.909 10 0 DCAERN C[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)N1CCOCC1 ZINC000046269127 261106459 /nfs/dbraw/zinc/10/64/59/261106459.db2.gz CSTKICWVFDMDGP-IUODEOHRSA-N 0 0 318.373 0.605 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(C)C ZINC000179308608 261112933 /nfs/dbraw/zinc/11/29/33/261112933.db2.gz QBBSPARVCRCSDS-JTQLQIEISA-N 0 0 318.420 0.652 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(C)C ZINC000179758442 261113785 /nfs/dbraw/zinc/11/37/85/261113785.db2.gz QYLAGYZSSRGKMO-BXUZGUMPSA-N 0 0 308.378 0.833 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)ccc1C ZINC000180640247 261114051 /nfs/dbraw/zinc/11/40/51/261114051.db2.gz DOGOCTQWFSPGRD-INIZCTEOSA-N 0 0 306.362 0.764 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC(C(=O)NC)C2)ccc1C ZINC000184915833 261119792 /nfs/dbraw/zinc/11/97/92/261119792.db2.gz DBPWUFQMFGMCDA-UHFFFAOYSA-N 0 0 303.362 0.700 10 0 DCAERN COc1cc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)ccn1 ZINC000186419345 261120894 /nfs/dbraw/zinc/12/08/94/261120894.db2.gz MSKGDAXADDLXCQ-UHFFFAOYSA-N 0 0 311.301 0.652 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)NCc1cccnc1N(C)C ZINC000186187766 261121580 /nfs/dbraw/zinc/12/15/80/261121580.db2.gz NYZXGKBUVXNPFD-LLVKDONJSA-N 0 0 305.382 0.520 10 0 DCAERN CN(c1nncs1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000188195567 261125771 /nfs/dbraw/zinc/12/57/71/261125771.db2.gz FUPRQALBPJXFNE-UHFFFAOYSA-N 0 0 309.323 0.825 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000188546403 261128532 /nfs/dbraw/zinc/12/85/32/261128532.db2.gz PBJVWDMENSOIKT-SECBINFHSA-N 0 0 310.375 0.519 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)C1 ZINC000188618735 261129311 /nfs/dbraw/zinc/12/93/11/261129311.db2.gz PAUVAFDMPWZDOJ-UHFFFAOYSA-N 0 0 310.375 0.815 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000188732172 261130561 /nfs/dbraw/zinc/13/05/61/261130561.db2.gz MEAZQBVJOXWIJP-MFKMUULPSA-N 0 0 310.398 0.371 10 0 DCAERN COCCNC(=O)c1ccc(NCc2cc(C(N)=O)co2)nc1 ZINC000189225878 261130907 /nfs/dbraw/zinc/13/09/07/261130907.db2.gz OPZKRJCQIIBMNN-UHFFFAOYSA-N 0 0 318.333 0.762 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2ccccc2F)CC1=O ZINC000190765266 261135481 /nfs/dbraw/zinc/13/54/81/261135481.db2.gz XGYDCBHPHSBNTK-UHFFFAOYSA-N 0 0 323.368 0.945 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000190755118 261135789 /nfs/dbraw/zinc/13/57/89/261135789.db2.gz TWMJCVRPACPGNU-VIFPVBQESA-N 0 0 309.366 0.936 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000191338243 261137633 /nfs/dbraw/zinc/13/76/33/261137633.db2.gz IWSGZAALZIIXEH-SECBINFHSA-N 0 0 319.365 0.140 10 0 DCAERN COCCO[C@H]1CCCN(c2ncnc(-n3cccn3)c2N)C1 ZINC000193565140 261142507 /nfs/dbraw/zinc/14/25/07/261142507.db2.gz LZIBSFMEDGQVBV-LBPRGKRZSA-N 0 0 318.381 0.876 10 0 DCAERN CN(C)C(=O)CCCNC(=O)NCc1cccnc1N(C)C ZINC000193852463 261144254 /nfs/dbraw/zinc/14/42/54/261144254.db2.gz FKSRIUFJMSLHSU-UHFFFAOYSA-N 0 0 307.398 0.815 10 0 DCAERN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194799832 261148294 /nfs/dbraw/zinc/14/82/94/261148294.db2.gz JUWGZSPOKPFEJY-VIFPVBQESA-N 0 0 309.753 0.873 10 0 DCAERN O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000194798536 261148644 /nfs/dbraw/zinc/14/86/44/261148644.db2.gz KWZFFVZXDMQVLO-VIFPVBQESA-N 0 0 317.267 0.775 10 0 DCAERN O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000194870828 261149414 /nfs/dbraw/zinc/14/94/14/261149414.db2.gz VNTZBEILXKCOJR-VIFPVBQESA-N 0 0 317.267 0.775 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2nccn2C(F)F)C1=O ZINC000195031692 261149507 /nfs/dbraw/zinc/14/95/07/261149507.db2.gz DCBORJKHJVQPRO-UHFFFAOYSA-N 0 0 315.280 0.225 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000234605926 261154404 /nfs/dbraw/zinc/15/44/04/261154404.db2.gz IIHFENALDYENLC-CHWSQXEVSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000234563148 261154891 /nfs/dbraw/zinc/15/48/91/261154891.db2.gz RWINOWUCXIYQMB-OLZOCXBDSA-N 0 0 316.423 0.438 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)OCO2 ZINC000354206741 261189843 /nfs/dbraw/zinc/18/98/43/261189843.db2.gz UQVZRURBIMXCJC-SNVBAGLBSA-N 0 0 311.359 0.922 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC000357391001 261535282 /nfs/dbraw/zinc/53/52/82/261535282.db2.gz KMBHPBCKKYESPE-QWRGUYRKSA-N 0 0 324.381 0.142 10 0 DCAERN Cc1nnc(CNC(=O)[C@H](C)NC(=O)c2ccccc2)n1C ZINC000357523061 261551462 /nfs/dbraw/zinc/55/14/62/261551462.db2.gz PHVRALFLADYLRJ-JTQLQIEISA-N 0 0 301.350 0.558 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccn(C)n2)C[C@H](C)S1(=O)=O ZINC000357897738 261598406 /nfs/dbraw/zinc/59/84/06/261598406.db2.gz XCTSAASDAZQOGM-UWVGGRQHSA-N 0 0 300.384 0.137 10 0 DCAERN CN(CC(=O)NCc1ccccc1)C(=O)NCCc1cn[nH]c1 ZINC000358183489 261644277 /nfs/dbraw/zinc/64/42/77/261644277.db2.gz FYDZKDQPBPOQBA-UHFFFAOYSA-N 0 0 315.377 0.910 10 0 DCAERN C[C@@](O)(CNC(=O)NCCNS(C)(=O)=O)C1CCCCC1 ZINC000358218666 261650782 /nfs/dbraw/zinc/65/07/82/261650782.db2.gz DTWVFMWZCWYXJJ-CYBMUJFWSA-N 0 0 321.443 0.166 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](CO)C2CC2)C1=O ZINC000358298118 261656836 /nfs/dbraw/zinc/65/68/36/261656836.db2.gz DNZWOQMQXSSKLZ-YPMHNXCESA-N 0 0 318.373 0.935 10 0 DCAERN COC[C@@H](CNC(=O)CCc1nc2ccccc2oc1=O)OC ZINC000358370765 261663347 /nfs/dbraw/zinc/66/33/47/261663347.db2.gz DNVQTYSOWARTLT-LLVKDONJSA-N 0 0 320.345 0.898 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](CO)C1CC1)CC2 ZINC000358817906 261702676 /nfs/dbraw/zinc/70/26/76/261702676.db2.gz GNUFTNQNLDBLNE-RYUDHWBXSA-N 0 0 323.397 0.057 10 0 DCAERN CCOC1CC(C(=O)N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC000359551508 261754088 /nfs/dbraw/zinc/75/40/88/261754088.db2.gz FLBYZEDZCORLMR-UHFFFAOYSA-N 0 0 318.439 0.589 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cccc2ncnn21 ZINC000359813710 261771949 /nfs/dbraw/zinc/77/19/49/261771949.db2.gz SJLKGCKAWCGSKP-SNVBAGLBSA-N 0 0 310.379 0.625 10 0 DCAERN CCNC(=O)CC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360556994 261844647 /nfs/dbraw/zinc/84/46/47/261844647.db2.gz PTXGDFWPMBUBPK-AWEZNQCLSA-N 0 0 306.362 0.819 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360575202 261848039 /nfs/dbraw/zinc/84/80/39/261848039.db2.gz WBRNPKMCYOSAJS-YPMHNXCESA-N 0 0 307.350 0.350 10 0 DCAERN CC(=O)NCCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361353274 261915715 /nfs/dbraw/zinc/91/57/15/261915715.db2.gz AWZFDNGCURJQOU-LBPRGKRZSA-N 0 0 307.350 0.652 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000361851019 261968627 /nfs/dbraw/zinc/96/86/27/261968627.db2.gz MGKHDJGCXBQMLJ-SNVBAGLBSA-N 0 0 321.381 0.219 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000362126119 262002245 /nfs/dbraw/zinc/00/22/45/262002245.db2.gz QSFHVBFEUIGXMF-GHMZBOCLSA-N 0 0 308.382 0.711 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)cn1 ZINC000362126202 262002362 /nfs/dbraw/zinc/00/23/62/262002362.db2.gz RCKCDOZCMSVKSH-WDEREUQCSA-N 0 0 306.366 0.768 10 0 DCAERN COCCOCC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000362316930 262021604 /nfs/dbraw/zinc/02/16/04/262021604.db2.gz UNMIHODXNVYRHD-UHFFFAOYSA-N 0 0 300.311 0.476 10 0 DCAERN Cc1cccc(S(=O)(=O)CCCN(C)Cc2nnnn2C)c1 ZINC000362326750 262022720 /nfs/dbraw/zinc/02/27/20/262022720.db2.gz VTQCZRDOLLVFFX-UHFFFAOYSA-N 0 0 323.422 0.814 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nnc(C)s1 ZINC000362469222 262038508 /nfs/dbraw/zinc/03/85/08/262038508.db2.gz WQAIDHYDBZCHJY-RNFRBKRXSA-N 0 0 314.367 0.033 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC1CCCC1 ZINC000362467346 262038513 /nfs/dbraw/zinc/03/85/13/262038513.db2.gz RQFCJFORFVXLSD-GHMZBOCLSA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC1CCCC1 ZINC000362467348 262038655 /nfs/dbraw/zinc/03/86/55/262038655.db2.gz RQFCJFORFVXLSD-MNOVXSKESA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1nnc(C)s1 ZINC000362469220 262038767 /nfs/dbraw/zinc/03/87/67/262038767.db2.gz WQAIDHYDBZCHJY-BQBZGAKWSA-N 0 0 314.367 0.033 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1csc(N(C)C2CC2)n1 ZINC000362507224 262042274 /nfs/dbraw/zinc/04/22/74/262042274.db2.gz DAEFKPKHYOWYKJ-VXGBXAGGSA-N 0 0 311.407 0.850 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000362534495 262044672 /nfs/dbraw/zinc/04/46/72/262044672.db2.gz QMFHEXPEQXKHOX-UONOGXRCSA-N 0 0 319.361 0.432 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC000362644551 262055608 /nfs/dbraw/zinc/05/56/08/262055608.db2.gz SKJIYXDSAYPTAS-JTQLQIEISA-N 0 0 307.741 0.998 10 0 DCAERN O=C([C@@H]1CCC(=O)N1)N1CCC(COc2ccccn2)CC1 ZINC000363303477 262111721 /nfs/dbraw/zinc/11/17/21/262111721.db2.gz QJMRRUIBHZQXRL-ZDUSSCGKSA-N 0 0 303.362 0.978 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000363359436 262112736 /nfs/dbraw/zinc/11/27/36/262112736.db2.gz TYHWHKLNNDXFSS-RYUDHWBXSA-N 0 0 320.397 0.703 10 0 DCAERN O=Cc1ccc(OCCC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363852851 262134236 /nfs/dbraw/zinc/13/42/36/262134236.db2.gz KCQRNONUMIZMFO-HNNXBMFYSA-N 0 0 318.373 0.811 10 0 DCAERN COc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000391340994 262160147 /nfs/dbraw/zinc/16/01/47/262160147.db2.gz CUCGQDDYZGFZLK-HNNXBMFYSA-N 0 0 319.317 0.215 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021065 262161107 /nfs/dbraw/zinc/16/11/07/262161107.db2.gz RLEZUTBMQFTSPY-CPCISQLKSA-N 0 0 304.318 0.910 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397706074 262164197 /nfs/dbraw/zinc/16/41/97/262164197.db2.gz MNUDDFVOSKAQHS-ILWJIGKKSA-N 0 0 316.404 0.411 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000427050751 262561020 /nfs/dbraw/zinc/56/10/20/262561020.db2.gz BXQHAHHDGUKKKY-LBPRGKRZSA-N 0 0 303.318 0.204 10 0 DCAERN CSC[C@@H](C)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328654394 533686589 /nfs/dbraw/zinc/68/65/89/533686589.db2.gz XJMMWCHBODWMDB-GHMZBOCLSA-N 0 0 303.428 0.680 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)C1CC1 ZINC000358324901 271049112 /nfs/dbraw/zinc/04/91/12/271049112.db2.gz CHMUMSSTKPATMH-CHWSQXEVSA-N 0 0 318.439 0.325 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000358640471 271059600 /nfs/dbraw/zinc/05/96/00/271059600.db2.gz MXHIBRYLHPIUQP-ZCFIWIBFSA-N 0 0 313.305 0.642 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCc2nc(N(C)C)no2)C1 ZINC000358991034 271085973 /nfs/dbraw/zinc/08/59/73/271085973.db2.gz CCABIQSTZMRDBE-SNVBAGLBSA-N 0 0 324.385 0.336 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000359611955 271132556 /nfs/dbraw/zinc/13/25/56/271132556.db2.gz QHCTVZRDUJDMCZ-AWEZNQCLSA-N 0 0 310.394 0.509 10 0 DCAERN Cc1ccc2nc(CNC(=O)N(C)Cc3nnnn3C)cn2c1 ZINC000360931118 271167594 /nfs/dbraw/zinc/16/75/94/271167594.db2.gz LVIPTXXLWGMQAH-UHFFFAOYSA-N 0 0 314.353 0.508 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC000363774189 271206072 /nfs/dbraw/zinc/20/60/72/271206072.db2.gz DHLJBNBYHLXRSS-ZETCQYMHSA-N 0 0 323.827 0.950 10 0 DCAERN COc1ncncc1NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000434447941 271528516 /nfs/dbraw/zinc/52/85/16/271528516.db2.gz XYURLBAVXWAQML-UHFFFAOYSA-N 0 0 316.321 0.523 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000442710904 271680236 /nfs/dbraw/zinc/68/02/36/271680236.db2.gz QYMXJXYKPYMRBT-WIUDPPPLSA-N 0 0 315.439 0.598 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCCC(=O)OC)CC12COC2 ZINC000452266774 271913558 /nfs/dbraw/zinc/91/35/58/271913558.db2.gz UCNLPXOARZJPLT-NSHDSACASA-N 0 0 313.350 0.368 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@]2(O)CCC[C@@H]2C)C1 ZINC000458547396 271962736 /nfs/dbraw/zinc/96/27/36/271962736.db2.gz PQPZDYZCHKDBBK-SLEUVZQESA-N 0 0 312.414 0.641 10 0 DCAERN NS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCC12CCCC2 ZINC000458732424 271971151 /nfs/dbraw/zinc/97/11/51/271971151.db2.gz SSSIACKKTOBIQJ-LLVKDONJSA-N 0 0 319.427 0.314 10 0 DCAERN O=C(C(=O)N1CCO[C@H](COc2ccccc2)C1)N1CCCC1 ZINC000459803761 272010041 /nfs/dbraw/zinc/01/00/41/272010041.db2.gz KNGHJSNHZZJCNP-HNNXBMFYSA-N 0 0 318.373 0.915 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(C)CCO)C[C@@H](c2ccccc2)O1 ZINC000459808982 272010700 /nfs/dbraw/zinc/01/07/00/272010700.db2.gz HFYYZXBBRAADQH-JSGCOSHPSA-N 0 0 306.362 0.426 10 0 DCAERN C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459839674 272015434 /nfs/dbraw/zinc/01/54/34/272015434.db2.gz XCMIHISFQHCBMZ-LRDDRELGSA-N 0 0 307.394 0.516 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncc1C ZINC000488579340 272046624 /nfs/dbraw/zinc/04/66/24/272046624.db2.gz IHOGYZKUDHHLGM-WDEREUQCSA-N 0 0 322.365 0.390 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnns1 ZINC000488719157 272049116 /nfs/dbraw/zinc/04/91/16/272049116.db2.gz YYYXWTMERIJDFR-RQJHMYQMSA-N 0 0 315.355 0.116 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)C(F)F)CC2 ZINC000489549444 272063997 /nfs/dbraw/zinc/06/39/97/272063997.db2.gz LLJSOROKSVWCEL-SFYZADRCSA-N 0 0 303.313 0.081 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N1CC[C@H](CO)C1 ZINC000490467272 272075465 /nfs/dbraw/zinc/07/54/65/272075465.db2.gz CWPMAMBFFPGWNP-LBPRGKRZSA-N 0 0 318.377 0.461 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)c1 ZINC000490529699 272076836 /nfs/dbraw/zinc/07/68/36/272076836.db2.gz WWASAFUFOXSJCT-CQSZACIVSA-N 0 0 319.361 0.495 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C[C@H](O)C2(CC2)C1 ZINC000494714645 272228631 /nfs/dbraw/zinc/22/86/31/272228631.db2.gz XTEYYSLOFHUBGC-CVEARBPZSA-N 0 0 316.401 0.760 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCSC[C@@H]1CCO ZINC000494913109 272234163 /nfs/dbraw/zinc/23/41/63/272234163.db2.gz ZNEIHUKTLNLPAV-ZDUSSCGKSA-N 0 0 308.403 0.743 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000513376013 272398698 /nfs/dbraw/zinc/39/86/98/272398698.db2.gz FTQAONZWYUAUPL-MJBXVCDLSA-N 0 0 309.410 0.761 10 0 DCAERN COCCn1cc(NC(=O)C(=O)NCCOCC2CCC2)cn1 ZINC000521712110 272538984 /nfs/dbraw/zinc/53/89/84/272538984.db2.gz MWUMNCYGOBRVAW-UHFFFAOYSA-N 0 0 324.381 0.401 10 0 DCAERN CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1nnnn1C ZINC000532072550 272777069 /nfs/dbraw/zinc/77/70/69/272777069.db2.gz HTIGTJBUMWKBBE-OLZOCXBDSA-N 0 0 306.414 0.823 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)NCCn3ncnn3)cnc21 ZINC000532904641 272798112 /nfs/dbraw/zinc/79/81/12/272798112.db2.gz ZLRYFFZDHCBKHQ-UHFFFAOYSA-N 0 0 314.353 0.504 10 0 DCAERN COC[C@@](C)(O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000531019863 287764757 /nfs/dbraw/zinc/76/47/57/287764757.db2.gz ASTOIJAIUPUYRL-MRXNPFEDSA-N 0 0 303.362 0.945 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)N1CCCCC1 ZINC000172595210 533689341 /nfs/dbraw/zinc/68/93/41/533689341.db2.gz MQWIRDDITQOQQL-XQQFMLRXSA-N 0 0 324.425 0.731 10 0 DCAERN C[C@H](C1CC1)N(C)S(=O)(=O)N1CCSC[C@H]1CCO ZINC000535455867 287834003 /nfs/dbraw/zinc/83/40/03/287834003.db2.gz HSQXWDIPNGSBSR-ZYHUDNBSSA-N 0 0 308.469 0.761 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](NC(N)=O)C1)CO2 ZINC000535707389 287837059 /nfs/dbraw/zinc/83/70/59/287837059.db2.gz GLMSPPPMJWSMFO-CMPLNLGQSA-N 0 0 304.350 0.881 10 0 DCAERN CCC1(CC)CN(c2ccc3nnnn3n2)CCS1(=O)=O ZINC000302434832 276217050 /nfs/dbraw/zinc/21/70/50/276217050.db2.gz MCPDXPWCQHYSGB-UHFFFAOYSA-N 0 0 310.383 0.313 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncnc3n[nH]cc32)CC12COC2 ZINC000450568087 276289289 /nfs/dbraw/zinc/28/92/89/276289289.db2.gz UTMJXKATPHBRDM-JTQLQIEISA-N 0 0 303.322 0.369 10 0 DCAERN CC(C)(CNC(=O)c1cccc2ncnn21)N1CCOCC1 ZINC000541545068 287921318 /nfs/dbraw/zinc/92/13/18/287921318.db2.gz IMNFWWXSKRWKMF-UHFFFAOYSA-N 0 0 303.366 0.570 10 0 DCAERN Cn1ccc(CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000541592021 287922223 /nfs/dbraw/zinc/92/22/23/287922223.db2.gz DCGFJJJLTFPHMU-ZDUSSCGKSA-N 0 0 302.334 0.913 10 0 DCAERN CN1CCO[C@@H](CN[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000091667466 276934060 /nfs/dbraw/zinc/93/40/60/276934060.db2.gz JJHJSCCFIUUFTR-GXTWGEPZSA-N 0 0 310.419 0.825 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC000424761291 276941546 /nfs/dbraw/zinc/94/15/46/276941546.db2.gz MVPRUTAJYCFTOZ-LLVKDONJSA-N 0 0 306.318 0.673 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCS[C@@H](C(C)C)C2)C1 ZINC000408054553 276978563 /nfs/dbraw/zinc/97/85/63/276978563.db2.gz SHJAKJJZLMOZRN-HIFRSBDPSA-N 0 0 314.451 0.960 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCOCC2(CCOCC2)C1 ZINC000542496157 287940730 /nfs/dbraw/zinc/94/07/30/287940730.db2.gz VPKKLOQMADXAHP-UHFFFAOYSA-N 0 0 316.361 0.999 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871413 277128710 /nfs/dbraw/zinc/12/87/10/277128710.db2.gz IJGWUARMUKIVII-OLZOCXBDSA-N 0 0 306.366 0.211 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172131165 277129559 /nfs/dbraw/zinc/12/95/59/277129559.db2.gz JTCUBBHHHSHDOH-FUNVUKJBSA-N 0 0 311.426 0.951 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc3C2)CC(=O)N1C ZINC000282169450 287950066 /nfs/dbraw/zinc/95/00/66/287950066.db2.gz KQLWRXFXBVBQCL-DGCLKSJQSA-N 0 0 303.362 0.862 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccnn1C ZINC000545201859 287988278 /nfs/dbraw/zinc/98/82/78/287988278.db2.gz SNPWZSHGAGLEFY-JTQLQIEISA-N 0 0 301.368 0.525 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)C1 ZINC000368464459 277980690 /nfs/dbraw/zinc/98/06/90/277980690.db2.gz FEGANKHWPIAAEH-AWEZNQCLSA-N 0 0 320.393 0.415 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000342713045 277990691 /nfs/dbraw/zinc/99/06/91/277990691.db2.gz JTMOPPZPVKXTAK-CMPLNLGQSA-N 0 0 316.423 0.469 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C(C)(C)C1 ZINC000190406550 278042730 /nfs/dbraw/zinc/04/27/30/278042730.db2.gz XFUWBRQUVFMJRU-CMPLNLGQSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000370713170 278065565 /nfs/dbraw/zinc/06/55/65/278065565.db2.gz GMNJNLWBCDWGHZ-LBPRGKRZSA-N 0 0 314.407 0.316 10 0 DCAERN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000294219980 278077846 /nfs/dbraw/zinc/07/78/46/278077846.db2.gz RIXNTYMZRWXKLN-DTWKUNHWSA-N 0 0 302.334 0.113 10 0 DCAERN COc1ccc2nc(CN3CCN4CCOC[C@@H]4C3)[nH]c2n1 ZINC000546222424 288017560 /nfs/dbraw/zinc/01/75/60/288017560.db2.gz JBVPJPTYJSDJKW-NSHDSACASA-N 0 0 303.366 0.483 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC(=O)N1C ZINC000282477202 288021670 /nfs/dbraw/zinc/02/16/70/288021670.db2.gz VGLLMZJFZLLDKO-SNVBAGLBSA-N 0 0 303.362 0.969 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000546731820 288028703 /nfs/dbraw/zinc/02/87/03/288028703.db2.gz RGKHGAZLFHSYKB-STQMWFEESA-N 0 0 315.439 0.802 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000408288684 278330336 /nfs/dbraw/zinc/33/03/36/278330336.db2.gz ZMOUSBCGKAQTGU-NWDGAFQWSA-N 0 0 303.428 0.140 10 0 DCAERN CC(C)(C)NC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000408426655 278358677 /nfs/dbraw/zinc/35/86/77/278358677.db2.gz VTTSUPHCKCIAED-NWDGAFQWSA-N 0 0 302.440 0.943 10 0 DCAERN CO[C@@]1(CNC(=O)Cn2cc(-c3ccccc3)nn2)CCOC1 ZINC000547305983 288037565 /nfs/dbraw/zinc/03/75/65/288037565.db2.gz RZLRTQHOEVCNOH-MRXNPFEDSA-N 0 0 316.361 0.867 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000081067404 278365006 /nfs/dbraw/zinc/36/50/06/278365006.db2.gz RBWAPVSARJVMDD-LLVKDONJSA-N 0 0 311.304 0.610 10 0 DCAERN CCCS(=O)(=O)N1CCC(Nc2ccncc2C#N)CC1 ZINC000547503782 288053399 /nfs/dbraw/zinc/05/33/99/288053399.db2.gz RXZIEHAYGUMESD-UHFFFAOYSA-N 0 0 308.407 0.991 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000547674984 288067373 /nfs/dbraw/zinc/06/73/73/288067373.db2.gz LYTGNPZMORDIKN-STQMWFEESA-N 0 0 319.409 0.898 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408243572 278932419 /nfs/dbraw/zinc/93/24/19/278932419.db2.gz ANHDKBUGSYAXKF-AWEZNQCLSA-N 0 0 316.423 0.186 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nnc(CC(F)(F)F)s1 ZINC000548063861 288107965 /nfs/dbraw/zinc/10/79/65/288107965.db2.gz VWTPCVRDOFVMJC-UHFFFAOYSA-N 0 0 324.284 0.440 10 0 DCAERN CCOc1cccc([C@H]2C[C@H]2NC(=O)CN2CCOCC2=O)c1 ZINC000548064114 288108434 /nfs/dbraw/zinc/10/84/34/288108434.db2.gz XBJLOYIRODQHCY-HUUCEWRRSA-N 0 0 318.373 0.916 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCO[C@@]3(CCCOC3)C1)CC2 ZINC000329206886 279410990 /nfs/dbraw/zinc/41/09/90/279410990.db2.gz ZTNSBJGOMYVIBH-DYVFJYSZSA-N 0 0 319.405 0.933 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@@H](C(N)=O)O1 ZINC000246283824 288138346 /nfs/dbraw/zinc/13/83/46/288138346.db2.gz BAJWUXBRWSAMCQ-BARDWOONSA-N 0 0 323.437 0.742 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CCOC)C1CC1)CC2 ZINC000548430857 288141851 /nfs/dbraw/zinc/14/18/51/288141851.db2.gz BHTKITVZRBBQAT-NSHDSACASA-N 0 0 307.398 0.976 10 0 DCAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)N(C)CC)C12CCOCC2 ZINC000248727022 279818487 /nfs/dbraw/zinc/81/84/87/279818487.db2.gz PKBRKZYJQHGSRB-VXGBXAGGSA-N 0 0 306.428 0.747 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCCN(C(=O)C2CC2)CC1 ZINC000548711092 288169518 /nfs/dbraw/zinc/16/95/18/288169518.db2.gz NRQZGGUDUGHZLS-UHFFFAOYSA-N 0 0 313.361 0.814 10 0 DCAERN C[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ncn(C)n1 ZINC000548731524 288171629 /nfs/dbraw/zinc/17/16/29/288171629.db2.gz AUWZEQMHLYPXAU-VIFPVBQESA-N 0 0 303.322 0.833 10 0 DCAERN NC(=O)C1(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000551905484 288243068 /nfs/dbraw/zinc/24/30/68/288243068.db2.gz UETOJYRRGMKOGS-JTQLQIEISA-N 0 0 304.350 0.919 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091783480 280761069 /nfs/dbraw/zinc/76/10/69/280761069.db2.gz PNSORECYOKIGID-ZDUSSCGKSA-N 0 0 304.346 0.671 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H](CO)O1 ZINC000333533572 281258288 /nfs/dbraw/zinc/25/82/88/281258288.db2.gz MQDJVUJPKOAPCB-XQHKEYJVSA-N 0 0 303.424 0.977 10 0 DCAERN CCN1CC(=O)N(C[C@]2(N3CCOCC3)CCSC2)C1=O ZINC000554113955 288313637 /nfs/dbraw/zinc/31/36/37/288313637.db2.gz BNTDPUUSCQPVRY-CQSZACIVSA-N 0 0 313.423 0.478 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000554521530 288325899 /nfs/dbraw/zinc/32/58/99/288325899.db2.gz DOTNAEHRPUOOMA-WCQYABFASA-N 0 0 310.398 0.117 10 0 DCAERN C[C@H](NC(=O)COc1cnn(C)c1)C(=O)N1CCCC[C@H]1C ZINC000554567948 288329541 /nfs/dbraw/zinc/32/95/41/288329541.db2.gz HKTFGURUWKBJQW-NEPJUHHUSA-N 0 0 308.382 0.705 10 0 DCAERN Cn1cc(OCC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000558576726 288448835 /nfs/dbraw/zinc/44/88/35/288448835.db2.gz NMGDKDLWRVBXCU-OAHLLOKOSA-N 0 0 309.366 0.595 10 0 DCAERN CC(C)(C)OC(=O)c1cnc(C(=O)NCCCCC(N)=O)cn1 ZINC000558831964 288461407 /nfs/dbraw/zinc/46/14/07/288461407.db2.gz ZLKZSTNOWIZBTM-UHFFFAOYSA-N 0 0 322.365 0.817 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCc2cc(C)no2)C1 ZINC000561641385 288549613 /nfs/dbraw/zinc/54/96/13/288549613.db2.gz LLEXWMXRVQLDSK-NSHDSACASA-N 0 0 309.370 0.629 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408320988 288670180 /nfs/dbraw/zinc/67/01/80/288670180.db2.gz NNXPASGGTIZALE-XJFOESAGSA-N 0 0 316.467 0.998 10 0 DCAERN CN(C(=O)N1CCC[C@H]1C(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000408015258 288822080 /nfs/dbraw/zinc/82/20/80/288822080.db2.gz ARPPIZVZGBMXTA-MNOVXSKESA-N 0 0 304.412 0.461 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000408267418 289002005 /nfs/dbraw/zinc/00/20/05/289002005.db2.gz APIXZQXQWXGUNH-JHJVBQTASA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000408224610 289228287 /nfs/dbraw/zinc/22/82/87/289228287.db2.gz GVVDAMYXWMVARP-CMPLNLGQSA-N 0 0 304.412 0.294 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000075043321 289254886 /nfs/dbraw/zinc/25/48/86/289254886.db2.gz ZHXDLSVMOYBJDR-UHFFFAOYSA-N 0 0 306.432 0.309 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841459 290087071 /nfs/dbraw/zinc/08/70/71/290087071.db2.gz PMFUTNIKJDYEDC-UONOGXRCSA-N 0 0 317.455 0.512 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752629 290107825 /nfs/dbraw/zinc/10/78/25/290107825.db2.gz QXZHDQQKDUDXEJ-HNNXBMFYSA-N 0 0 305.378 0.970 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191077 290115447 /nfs/dbraw/zinc/11/54/47/290115447.db2.gz SCSDCGRKQNAAIH-QKGCVVFFSA-N 0 0 316.467 0.892 10 0 DCAERN COC[C@H](O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000338423573 293185409 /nfs/dbraw/zinc/18/54/09/293185409.db2.gz MDYBMFYCKIBCHG-WDMOLILDSA-N 0 0 319.423 0.309 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328907147 293745331 /nfs/dbraw/zinc/74/53/31/293745331.db2.gz LHMRKWSTYJDJIB-UHIISALHSA-N 0 0 306.366 0.187 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN(C(C)=O)C3)[C@H]2C1 ZINC000127152707 293775455 /nfs/dbraw/zinc/77/54/55/293775455.db2.gz QVMMTZHLOFNCEO-KBXIAJHMSA-N 0 0 310.394 0.650 10 0 DCAERN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)C(=O)N2C1 ZINC000350177093 293912985 /nfs/dbraw/zinc/91/29/85/293912985.db2.gz QBCJJDASVORPBT-PZWNZHSQSA-N 0 0 307.350 0.047 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)[C@@H](C)CO1 ZINC000408091981 297049412 /nfs/dbraw/zinc/04/94/12/297049412.db2.gz WKIJYHWLZDMKKT-RVMXOQNASA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C3CCC3)CC2)C[C@@H](C)O1 ZINC000172105501 297050911 /nfs/dbraw/zinc/05/09/11/297050911.db2.gz JCHFRCJOWZYGEO-CHWSQXEVSA-N 0 0 317.455 0.511 10 0 DCAERN Cn1c(C(=O)N2CCN(C)C(=O)C2(C)C)c2n(c1=O)CCCC2 ZINC000333509261 294149091 /nfs/dbraw/zinc/14/90/91/294149091.db2.gz DUHMGKYRKOIKQS-UHFFFAOYSA-N 0 0 320.393 0.216 10 0 DCAERN Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000408349177 294215818 /nfs/dbraw/zinc/21/58/18/294215818.db2.gz GZAPEPLDJYCFHF-MEBBXXQBSA-N 0 0 307.350 0.253 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000123044692 294257483 /nfs/dbraw/zinc/25/74/83/294257483.db2.gz VKSYROGFBJBPMJ-XHDPSFHLSA-N 0 0 306.366 0.512 10 0 DCAERN NC(=O)C[C@@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000457041460 295055013 /nfs/dbraw/zinc/05/50/13/295055013.db2.gz VDAHZNUQBRKFBY-CQSZACIVSA-N 0 0 316.357 0.461 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000408369247 295193796 /nfs/dbraw/zinc/19/37/96/295193796.db2.gz UKZKHELFYXTXHB-LLVKDONJSA-N 0 0 303.366 0.414 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)[C@H]2CCCOC2)CCC1 ZINC000330071758 295477730 /nfs/dbraw/zinc/47/77/30/295477730.db2.gz JEQXHAQWSKJUSZ-JTQLQIEISA-N 0 0 311.425 0.052 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408128172 295499914 /nfs/dbraw/zinc/49/99/14/295499914.db2.gz IFBFSPOWQGGRCD-CQSZACIVSA-N 0 0 321.421 0.860 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCO1 ZINC000408062467 295534758 /nfs/dbraw/zinc/53/47/58/295534758.db2.gz OWQZTTSPFNRINP-SDDRHHMPSA-N 0 0 319.427 0.325 10 0 DCAERN O=C(N1CCN2CCOC[C@H]2C1)C(F)(F)C1(O)CCCC1 ZINC000376158748 295573336 /nfs/dbraw/zinc/57/33/36/295573336.db2.gz WMVKHNAGDOWAKE-LLVKDONJSA-N 0 0 304.337 0.470 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000195318592 297131519 /nfs/dbraw/zinc/13/15/19/297131519.db2.gz BVAVJBSFKUWOSS-RDBSUJKOSA-N 0 0 310.394 0.509 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCOCC1 ZINC000408063918 298060032 /nfs/dbraw/zinc/06/00/32/298060032.db2.gz JXGKXHCPFFVCQL-BARDWOONSA-N 0 0 312.410 0.096 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329374647 304600096 /nfs/dbraw/zinc/60/00/96/304600096.db2.gz LDGBWQJDNYLHAN-UONOGXRCSA-N 0 0 302.334 0.749 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CCC1=O ZINC000186602265 300160934 /nfs/dbraw/zinc/16/09/34/300160934.db2.gz OIHPCHUNNIURKG-GXSJLCMTSA-N 0 0 304.412 0.388 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cnn1C ZINC000408236458 301003338 /nfs/dbraw/zinc/00/33/38/301003338.db2.gz MUTIRBYBFUVTPJ-AXFHLTTASA-N 0 0 316.427 0.733 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCNC[C@H]2c2nccn2C)n1 ZINC000261716914 301244326 /nfs/dbraw/zinc/24/43/26/301244326.db2.gz LBFMCQDCKLWRKX-KBPBESRZSA-N 0 0 316.409 0.968 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(N)=O ZINC000183736641 301319822 /nfs/dbraw/zinc/31/98/22/301319822.db2.gz MQQIFTKWZVILDZ-BXKDBHETSA-N 0 0 322.340 0.190 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000247067531 302915414 /nfs/dbraw/zinc/91/54/14/302915414.db2.gz VQGVLQYJRHXRDX-YNEHKIRRSA-N 0 0 318.377 0.823 10 0 DCAERN Cn1nccc1[C@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC(=O)N1C ZINC000328903932 303095545 /nfs/dbraw/zinc/09/55/45/303095545.db2.gz IPERLNHSLGRGGJ-NWJSVONSSA-N 0 0 318.377 0.329 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccnc(Br)c1 ZINC000220147989 303308142 /nfs/dbraw/zinc/30/81/42/303308142.db2.gz BQDQOTCKJRWIRG-QMMMGPOBSA-N 0 0 314.139 0.170 10 0 DCAERN O=C(CN1CCOC[C@]12CCOC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000249607150 303618091 /nfs/dbraw/zinc/61/80/91/303618091.db2.gz RLEKOCPAYZRXIT-YQQAZPJKSA-N 0 0 324.421 0.648 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000375088751 303729914 /nfs/dbraw/zinc/72/99/14/303729914.db2.gz GEMKNEUITJFTJI-STQMWFEESA-N 0 0 308.378 0.799 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@]12CCOC2=O ZINC000187189286 303896232 /nfs/dbraw/zinc/89/62/32/303896232.db2.gz MAPSWNIEBOOSRR-YGRLFVJLSA-N 0 0 305.338 0.084 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)C[C@@H](O)Cc2ccccc2)C1 ZINC000570730433 332807340 /nfs/dbraw/zinc/80/73/40/332807340.db2.gz SOTQELZEIXMAGL-HOTGVXAUSA-N 0 0 304.390 0.965 10 0 DCAERN O=C(NCCc1cnc(C2CC2)nc1)N[C@H]1CC[S@@](=O)C1 ZINC000332763826 332866132 /nfs/dbraw/zinc/86/61/32/332866132.db2.gz VUJDAQFIQGEPNS-LAJNKCICSA-N 0 0 308.407 0.717 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1c1cnn(C)c1 ZINC000332786473 332870655 /nfs/dbraw/zinc/87/06/55/332870655.db2.gz UHAFLKJHLOZLHG-SEBNEYGDSA-N 0 0 316.405 0.754 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)[C@@H]1CCNC1=O)CC2 ZINC000332889418 332895595 /nfs/dbraw/zinc/89/55/95/332895595.db2.gz QKNROSWWMBXLER-WDEREUQCSA-N 0 0 320.397 0.246 10 0 DCAERN NC(=O)Cn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1 ZINC000584250775 332013201 /nfs/dbraw/zinc/01/32/01/332013201.db2.gz XJWLHISKBYGJOM-UHFFFAOYSA-N 0 0 303.366 0.318 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172119370 332606681 /nfs/dbraw/zinc/60/66/81/332606681.db2.gz XNEYDFAPJBVGCP-NSHDSACASA-N 0 0 300.384 0.403 10 0 DCAERN CN(C(=O)NC[C@@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000188182077 333037801 /nfs/dbraw/zinc/03/78/01/333037801.db2.gz PHHBIVBKLOMATB-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000332930380 333323555 /nfs/dbraw/zinc/32/35/55/333323555.db2.gz SZTBVGYMDUSIAY-RYUDHWBXSA-N 0 0 303.370 0.425 10 0 DCAERN Cc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000016377492 334267667 /nfs/dbraw/zinc/26/76/67/334267667.db2.gz VYLSGECTBKDUDE-LLVKDONJSA-N 0 0 300.380 0.323 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000190465420 336263373 /nfs/dbraw/zinc/26/33/73/336263373.db2.gz HLIIFDDOPSYZRR-MWLCHTKSSA-N 0 0 314.411 0.679 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1N1C(=O)CN(C2CCC2)C1=O ZINC000583670819 336390727 /nfs/dbraw/zinc/39/07/27/336390727.db2.gz YNRWUZSGQNQGHE-QWHCGFSZSA-N 0 0 312.366 0.624 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000394200419 337106602 /nfs/dbraw/zinc/10/66/02/337106602.db2.gz SSBOWBUUKBOKDO-IUCAKERBSA-N 0 0 307.803 0.998 10 0 DCAERN Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)nc1 ZINC000584597092 337374379 /nfs/dbraw/zinc/37/43/79/337374379.db2.gz ZCMCGXBQFPDRRS-UHFFFAOYSA-N 0 0 316.346 0.885 10 0 DCAERN CC1(C)C(=O)OC[C@@H]1N1CCN(C(=O)c2nccs2)CC1 ZINC000584622855 337375117 /nfs/dbraw/zinc/37/51/17/337375117.db2.gz VKZBROWPAIUTGD-JTQLQIEISA-N 0 0 309.391 0.853 10 0 DCAERN CCc1nc(CNC(=O)NCCNS(=O)(=O)CC)cs1 ZINC000171659925 341781935 /nfs/dbraw/zinc/78/19/35/341781935.db2.gz JFOOFJCWJBQHOW-UHFFFAOYSA-N 0 0 320.440 0.444 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000576540931 341851709 /nfs/dbraw/zinc/85/17/09/341851709.db2.gz SDSWYLPQOGQYDO-SECBINFHSA-N 0 0 320.319 0.726 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189170120 520049148 /nfs/dbraw/zinc/04/91/48/520049148.db2.gz LXWDBLUOAUPSMS-UHFFFAOYSA-N 0 0 302.400 0.206 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CCCN3CCOCC3)CCO2)n1 ZINC000173696219 534115533 /nfs/dbraw/zinc/11/55/33/534115533.db2.gz PZOZNZQMSGEMLS-KRWDZBQOSA-N 0 0 322.453 0.923 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CSC)CC12COC2 ZINC000454552943 517685473 /nfs/dbraw/zinc/68/54/73/517685473.db2.gz ZNJDFPRKEDRUSW-QWRGUYRKSA-N 0 0 316.423 0.959 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CCN1CCO ZINC000187128489 534359034 /nfs/dbraw/zinc/35/90/34/534359034.db2.gz QZQPTTGHRTWQCO-LLVKDONJSA-N 0 0 306.366 0.316 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000161974446 518672218 /nfs/dbraw/zinc/67/22/18/518672218.db2.gz BCHPHWWHRJXGIQ-UHFFFAOYSA-N 0 0 322.434 0.788 10 0 DCAERN CC(=O)CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000158723803 519418475 /nfs/dbraw/zinc/41/84/75/519418475.db2.gz IOISDQMMXSPLRQ-UHFFFAOYSA-N 0 0 319.409 0.414 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000190518574 519649021 /nfs/dbraw/zinc/64/90/21/519649021.db2.gz AIKIWIVDBXYQOP-UHFFFAOYSA-N 0 0 312.329 0.193 10 0 DCAERN CCCN1CCCN(C(=O)Nc2ccc(=O)n(C)c2)CC1=O ZINC000191003364 519849667 /nfs/dbraw/zinc/84/96/67/519849667.db2.gz SAEZPOIVTUNYAK-UHFFFAOYSA-N 0 0 306.366 0.862 10 0 DCAERN CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000188439940 520214173 /nfs/dbraw/zinc/21/41/73/520214173.db2.gz HAWURTJCAANRHU-VIFPVBQESA-N 0 0 318.370 0.979 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H](C(N)=O)O1 ZINC000156949763 534479694 /nfs/dbraw/zinc/47/96/94/534479694.db2.gz UJWLQXLZWXCXAC-OPRDCNLKSA-N 0 0 323.315 0.114 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000194270919 534482977 /nfs/dbraw/zinc/48/29/77/534482977.db2.gz LVKBVJDTMRHTER-HIFRSBDPSA-N 0 0 319.405 0.871 10 0 DCAERN CC1(C)CN(C(=O)C(=O)Nc2ccccc2)CCS1(=O)=O ZINC000163036374 520418334 /nfs/dbraw/zinc/41/83/34/520418334.db2.gz SKJPYDSHKKKZHJ-UHFFFAOYSA-N 0 0 310.375 0.661 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ncnc3c2ncn3CC)CC1 ZINC000266269009 520472206 /nfs/dbraw/zinc/47/22/06/520472206.db2.gz QPZLGTRZJRHCEP-UHFFFAOYSA-N 0 0 319.365 0.741 10 0 DCAERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cn2cn[nH]c2=O)C1 ZINC000157662547 520661675 /nfs/dbraw/zinc/66/16/75/520661675.db2.gz WLSCFHIQXIXAGQ-NWDGAFQWSA-N 0 0 323.397 0.115 10 0 DCAERN CCC[C@@H]1C[C@H]1NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120002146 520892047 /nfs/dbraw/zinc/89/20/47/520892047.db2.gz BRPMAYBFTNWIDJ-HTQZYQBOSA-N 0 0 302.356 0.924 10 0 DCAERN CCCc1noc(CCCC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000157352109 521578811 /nfs/dbraw/zinc/57/88/11/521578811.db2.gz ZMQACEDFVYACHH-GHMZBOCLSA-N 0 0 324.381 0.446 10 0 DCAERN CCS(=O)(=O)CCn1cnc2c1ncnc2N1CCCC1 ZINC000118176338 521645913 /nfs/dbraw/zinc/64/59/13/521645913.db2.gz MPTBURAJGXBCEG-UHFFFAOYSA-N 0 0 309.395 0.861 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(C)CCOc1ccc(C)cc1 ZINC000133732808 521669266 /nfs/dbraw/zinc/66/92/66/521669266.db2.gz QROVMBPZUWSCKX-UHFFFAOYSA-N 0 0 314.407 0.772 10 0 DCAERN C[NH+](C)Cc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000365981349 521930700 /nfs/dbraw/zinc/93/07/00/521930700.db2.gz NUFBBIOFDOAJJB-CYBMUJFWSA-N 0 0 316.365 0.475 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO ZINC000190878281 522014852 /nfs/dbraw/zinc/01/48/52/522014852.db2.gz NCLABZZEMWUYGX-NEPJUHHUSA-N 0 0 308.378 0.947 10 0 DCAERN CCc1nnc([C@H]2CN(Cc3c(C)nn(C)c3OC)CCO2)[nH]1 ZINC000129108766 522138725 /nfs/dbraw/zinc/13/87/25/522138725.db2.gz ISZMNYKMBGCYLO-GFCCVEGCSA-N 0 0 320.397 0.991 10 0 DCAERN O=C(COCCOc1ccccc1)N1CC(NC(=O)C2CC2)C1 ZINC000189373943 534615203 /nfs/dbraw/zinc/61/52/03/534615203.db2.gz SBNVMPFMDLWOPK-UHFFFAOYSA-N 0 0 318.373 0.819 10 0 DCAERN CCc1nnc(CN2CCCN(Cc3noc(C)n3)CC2)[nH]1 ZINC000158378877 522303864 /nfs/dbraw/zinc/30/38/64/522303864.db2.gz PVWHDZMVJGJDBY-UHFFFAOYSA-N 0 0 305.386 0.766 10 0 DCAERN CN[C@H](C(=O)NC[C@H](O)c1cccc(F)c1)c1cnn(C)c1 ZINC000262572150 522436202 /nfs/dbraw/zinc/43/62/02/522436202.db2.gz SMNUCAGXACFUSH-KBPBESRZSA-N 0 0 306.341 0.670 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C(=O)N(C)CC ZINC000191045372 522510047 /nfs/dbraw/zinc/51/00/47/522510047.db2.gz ITWXIVHCMCOSGR-QWRGUYRKSA-N 0 0 322.413 0.841 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(F)(F)C1(O)CCC1)CC2 ZINC000159265828 522526735 /nfs/dbraw/zinc/52/67/35/522526735.db2.gz UKYYXLZWTSQDPN-SECBINFHSA-N 0 0 314.336 0.822 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)CC1 ZINC000131457288 522552148 /nfs/dbraw/zinc/55/21/48/522552148.db2.gz IQUIXCXSSBKTLO-JSGCOSHPSA-N 0 0 323.393 0.313 10 0 DCAERN COCC(=O)N(C)CC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000158142758 522724404 /nfs/dbraw/zinc/72/44/04/522724404.db2.gz LVDGNDSUWOGUJH-ZDUSSCGKSA-N 0 0 319.405 0.831 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000189454089 522811868 /nfs/dbraw/zinc/81/18/68/522811868.db2.gz ZDWARCQJWZFVIE-AWEZNQCLSA-N 0 0 323.368 0.679 10 0 DCAERN Cn1c(CN2CCC[C@H]3C(=O)NC[C@H]32)nc2ccccc2c1=O ZINC000299743017 534685972 /nfs/dbraw/zinc/68/59/72/534685972.db2.gz LNWAUKDELCSVEE-TZMCWYRMSA-N 0 0 312.373 0.644 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCN1CC(F)F ZINC000245749812 523247194 /nfs/dbraw/zinc/24/71/94/523247194.db2.gz NVWAEWGLQARXLC-UWVGGRQHSA-N 0 0 312.382 0.607 10 0 DCAERN CCn1cc(C2CCN(C(=O)NCCNC(C)=O)CC2)cn1 ZINC000155184441 523350549 /nfs/dbraw/zinc/35/05/49/523350549.db2.gz AKQQFIJLGYHBDZ-UHFFFAOYSA-N 0 0 307.398 0.928 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000123125349 523405327 /nfs/dbraw/zinc/40/53/27/523405327.db2.gz SMPNRKBFAYQPPF-BLLLJJGKSA-N 0 0 320.393 0.995 10 0 DCAERN COCCCS(=O)(=O)N1CCN(c2cc(C)ncn2)CC1 ZINC000154880366 523428023 /nfs/dbraw/zinc/42/80/23/523428023.db2.gz CVGDSZFEFRIJDL-UHFFFAOYSA-N 0 0 314.411 0.273 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](Cn2ccnn2)C1)C(C)C ZINC000126144851 523455837 /nfs/dbraw/zinc/45/58/37/523455837.db2.gz KUFCVDLOUBTBNP-QWHCGFSZSA-N 0 0 323.397 0.897 10 0 DCAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)NCCCOC)CCO2)cn1 ZINC000190800943 523481742 /nfs/dbraw/zinc/48/17/42/523481742.db2.gz OSQPCKRSMWRMIO-DZGCQCFKSA-N 0 0 324.425 0.818 10 0 DCAERN CCn1cc([C@H]2CN(CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746200 523482986 /nfs/dbraw/zinc/48/29/86/523482986.db2.gz LKEQPPOCICGIAH-CYBMUJFWSA-N 0 0 306.366 0.425 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@](C)(O)C2)[C@H]1c1ccccc1 ZINC000368940359 523695905 /nfs/dbraw/zinc/69/59/05/523695905.db2.gz HVWFANZEZJJBLZ-VYDXJSESSA-N 0 0 318.373 0.568 10 0 DCAERN COC(=O)[C@@H]1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000249080329 523716809 /nfs/dbraw/zinc/71/68/09/523716809.db2.gz MKWOKGDCGVATQX-MRVWCRGKSA-N 0 0 320.393 0.656 10 0 DCAERN Cc1ncc(CN2CCN(CCCS(N)(=O)=O)CC2)s1 ZINC000171557005 534737465 /nfs/dbraw/zinc/73/74/65/534737465.db2.gz IPSHCJYWDDCFEJ-UHFFFAOYSA-N 0 0 318.468 0.248 10 0 DCAERN COCCOCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163763245 523979347 /nfs/dbraw/zinc/97/93/47/523979347.db2.gz JRZCZGQMJNTBCO-UHFFFAOYSA-N 0 0 304.350 0.793 10 0 DCAERN CN1CC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2F)C1=O ZINC000157066492 523987139 /nfs/dbraw/zinc/98/71/39/523987139.db2.gz IMKMJJOVQCTBEG-ZDUSSCGKSA-N 0 0 319.336 0.913 10 0 DCAERN CNC(=O)CC1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000155207584 524055202 /nfs/dbraw/zinc/05/52/02/524055202.db2.gz VYDTWYGOWPRGPE-UHFFFAOYSA-N 0 0 320.397 0.923 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000364221450 524262660 /nfs/dbraw/zinc/26/26/60/524262660.db2.gz XCCIRENMGNULKD-NEPJUHHUSA-N 0 0 313.427 0.318 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188487566 524323873 /nfs/dbraw/zinc/32/38/73/524323873.db2.gz XFIXYROBGYNUAD-SECBINFHSA-N 0 0 315.333 0.059 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCCn1cc(C)cn1 ZINC000154970692 524347723 /nfs/dbraw/zinc/34/77/23/524347723.db2.gz DEEGFMOKISKXJY-UHFFFAOYSA-N 0 0 316.361 0.746 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCO)[C@@H](C)C2)[C@@H]1C ZINC000249570510 524397906 /nfs/dbraw/zinc/39/79/06/524397906.db2.gz ODJSBJATTXIWFQ-QXSJWSMHSA-N 0 0 311.470 0.926 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)[C@@H](C)CO1 ZINC000246729983 524655578 /nfs/dbraw/zinc/65/55/78/524655578.db2.gz GDDXMXIRVOLPJB-STQMWFEESA-N 0 0 316.427 0.559 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCn2cccn2)[C@@H](C)CO1 ZINC000246191300 524656343 /nfs/dbraw/zinc/65/63/43/524656343.db2.gz OAYGIQAHDCOVLJ-RYUDHWBXSA-N 0 0 302.400 0.217 10 0 DCAERN COc1ccccc1OC[C@H](C)CNC(=O)[C@H]1CNC(=O)C1 ZINC000134978928 524683685 /nfs/dbraw/zinc/68/36/85/524683685.db2.gz MFINRADGXJAEER-VXGBXAGGSA-N 0 0 306.362 0.962 10 0 DCAERN Cc1cccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)c1 ZINC000187979191 524755433 /nfs/dbraw/zinc/75/54/33/524755433.db2.gz UXYMVLGYGUAKPZ-HNNXBMFYSA-N 0 0 304.390 0.945 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)[C@@H](C)CO ZINC000153999831 524803464 /nfs/dbraw/zinc/80/34/64/524803464.db2.gz RWYXZUNOQHVWJI-NEPJUHHUSA-N 0 0 318.377 0.807 10 0 DCAERN C[C@@H]1CN(C(=O)NC2Cc3ccccc3C2)CCS1(=O)=O ZINC000131635783 524805261 /nfs/dbraw/zinc/80/52/61/524805261.db2.gz YVWXJORDIBIGQD-LLVKDONJSA-N 0 0 308.403 0.982 10 0 DCAERN COc1ccnc(N2CCN(CCN3CCO[C@H](C)C3)CC2)n1 ZINC000191482186 524845006 /nfs/dbraw/zinc/84/50/06/524845006.db2.gz KNIVXVKNUNISLK-CQSZACIVSA-N 0 0 321.425 0.328 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)CCS1(=O)=O ZINC000155731909 524926365 /nfs/dbraw/zinc/92/63/65/524926365.db2.gz VPHQWPMSBSGXRP-LLVKDONJSA-N 0 0 300.380 0.357 10 0 DCAERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)CN2CCOCC2=O)C1 ZINC000365677454 524944359 /nfs/dbraw/zinc/94/43/59/524944359.db2.gz ZSDCBQIKOHYNBA-GXTWGEPZSA-N 0 0 303.362 0.850 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000157399761 524958196 /nfs/dbraw/zinc/95/81/96/524958196.db2.gz SOHLBBUUDLNFGJ-WCQYABFASA-N 0 0 313.361 0.984 10 0 DCAERN COc1n[nH]c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000158205363 524983807 /nfs/dbraw/zinc/98/38/07/524983807.db2.gz GLFYRXOGZKWNSB-UHFFFAOYSA-N 0 0 310.335 0.778 10 0 DCAERN C[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)CCS(=O)(=O)C1 ZINC000365435111 525022868 /nfs/dbraw/zinc/02/28/68/525022868.db2.gz HTZQBWQZPKJLAP-LLVKDONJSA-N 0 0 300.428 0.900 10 0 DCAERN C[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCS1(=O)=O ZINC000155677873 525032018 /nfs/dbraw/zinc/03/20/18/525032018.db2.gz IYUQTLWUPMDQJB-SNVBAGLBSA-N 0 0 306.391 0.831 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000128678976 525432394 /nfs/dbraw/zinc/43/23/94/525432394.db2.gz ZSOXNVFHWAFBIS-GXTWGEPZSA-N 0 0 305.378 0.948 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247003275 526085362 /nfs/dbraw/zinc/08/53/62/526085362.db2.gz IQFAVRCQVIZGGY-QWHCGFSZSA-N 0 0 310.419 0.810 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000191982416 526209113 /nfs/dbraw/zinc/20/91/13/526209113.db2.gz HAMKDCYSHKUEGH-LLVKDONJSA-N 0 0 305.382 0.567 10 0 DCAERN C[C@H]1CC(O)C[C@H](C)N1CC(=O)Nc1ccccc1C(N)=O ZINC000191280574 526229472 /nfs/dbraw/zinc/22/94/72/526229472.db2.gz SPCIEQPQDKDILT-QWRGUYRKSA-N 0 0 305.378 0.958 10 0 DCAERN O=C(NCCCc1ccccn1)N[C@@H]1CCc2ncnn2C1 ZINC000179231128 526280935 /nfs/dbraw/zinc/28/09/35/526280935.db2.gz KKZPSOGQPVXCFK-CYBMUJFWSA-N 0 0 300.366 0.920 10 0 DCAERN O=C(NCCCn1cccn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111813530 526285570 /nfs/dbraw/zinc/28/55/70/526285570.db2.gz OTMKKBLJQQEZNK-AWEZNQCLSA-N 0 0 318.381 0.580 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NC[C@H]1CC[C@@H](O)C1 ZINC000189952437 526333080 /nfs/dbraw/zinc/33/30/80/526333080.db2.gz FWIXVUYVLLIQMI-GXTWGEPZSA-N 0 0 305.378 0.877 10 0 DCAERN O=C(NCCOCC(F)F)N1CCN(c2cccnn2)CC1 ZINC000191631345 526349456 /nfs/dbraw/zinc/34/94/56/526349456.db2.gz NMVJIILBKHLAIY-UHFFFAOYSA-N 0 0 315.324 0.590 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)NC(C)(C)C(N)=O)cc1 ZINC000299356652 526426177 /nfs/dbraw/zinc/42/61/77/526426177.db2.gz RYTAUJGTIFNEMQ-UHFFFAOYSA-N 0 0 306.362 0.967 10 0 DCAERN O=C(NC[C@@H]1CCC[C@H]1O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000266834659 526534494 /nfs/dbraw/zinc/53/44/94/526534494.db2.gz ZUMVARYPOALUEW-MELADBBJSA-N 0 0 319.409 0.906 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000330643965 526551617 /nfs/dbraw/zinc/55/16/17/526551617.db2.gz YGZMQILAJMVMMU-MCIONIFRSA-N 0 0 314.426 0.662 10 0 DCAERN Cc1noc2ncc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)cc12 ZINC000157509941 526684771 /nfs/dbraw/zinc/68/47/71/526684771.db2.gz ZUGADCWAZLSYAF-RDDDGLTNSA-N 0 0 304.306 0.246 10 0 DCAERN Cc1nc(NC(=O)[C@H]2CCC[C@@H]2C(=O)Nc2n[nH]c(C)n2)n[nH]1 ZINC000163620383 526990557 /nfs/dbraw/zinc/99/05/57/526990557.db2.gz SIFFUMRKFUOBHO-IUCAKERBSA-N 0 0 318.341 0.533 10 0 DCAERN Cn1c(CSc2nc(C3CC3)cc(=O)[nH]2)cc(=O)n(C)c1=O ZINC000188147382 527029271 /nfs/dbraw/zinc/02/92/71/527029271.db2.gz CZKKDICDTFDIQJ-UHFFFAOYSA-N 0 0 320.374 0.749 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)N1CC(CO)C1 ZINC000188344152 527045252 /nfs/dbraw/zinc/04/52/52/527045252.db2.gz SXCWGPZAGVKQOM-AWEZNQCLSA-N 0 0 321.352 0.560 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cn1 ZINC000156239713 527063527 /nfs/dbraw/zinc/06/35/27/527063527.db2.gz VEYFKPNFHUFVIV-ZDUSSCGKSA-N 0 0 314.345 0.906 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N1CCC[C@@H]1CO ZINC000189932264 527094051 /nfs/dbraw/zinc/09/40/51/527094051.db2.gz UUJFGYSCUVQGBH-GFCCVEGCSA-N 0 0 314.345 0.999 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000267600348 527188149 /nfs/dbraw/zinc/18/81/49/527188149.db2.gz LWHADBNOZWJERH-NEPJUHHUSA-N 0 0 320.397 0.730 10 0 DCAERN O=S(=O)(c1cccc2ncccc21)N1CCO[C@H](CO)C1 ZINC000158958493 527286466 /nfs/dbraw/zinc/28/64/66/527286466.db2.gz KTRBEKIDPSMOFU-NSHDSACASA-N 0 0 308.359 0.617 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)c1cnn2c1CCCC2 ZINC000128140190 527659141 /nfs/dbraw/zinc/65/91/41/527659141.db2.gz KQDMIMHLKZDOCF-UHFFFAOYSA-N 0 0 304.350 0.488 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)CCSc1nnnn1C ZINC000174474977 527830980 /nfs/dbraw/zinc/83/09/80/527830980.db2.gz BMAVPJFJFBVPHK-CYBMUJFWSA-N 0 0 315.443 0.996 10 0 DCAERN CC(C)CC[C@](C)(O)CNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000193951218 527864853 /nfs/dbraw/zinc/86/48/53/527864853.db2.gz ZJARIEDJTXXCSQ-YPMHNXCESA-N 0 0 308.444 0.570 10 0 DCAERN CCCC(=O)NCC(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000188840125 527926170 /nfs/dbraw/zinc/92/61/70/527926170.db2.gz PMWUSTUWTLHAGM-ABAIWWIYSA-N 0 0 300.399 0.585 10 0 DCAERN CC(C)c1nc(NC[C@H](O)CN2CCOCC2)nc(N(C)C)n1 ZINC000301947842 528294033 /nfs/dbraw/zinc/29/40/33/528294033.db2.gz YHUYGJOCDVLENY-LBPRGKRZSA-N 0 0 324.429 0.166 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000183817397 528331124 /nfs/dbraw/zinc/33/11/24/528331124.db2.gz WAYDYECSSALJIV-ZDUSSCGKSA-N 0 0 303.428 0.564 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000178878380 528890295 /nfs/dbraw/zinc/89/02/95/528890295.db2.gz KBFTVVZRFPSYJC-JTQLQIEISA-N 0 0 323.397 0.651 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000182405608 529229745 /nfs/dbraw/zinc/22/97/45/529229745.db2.gz SRMFEEPVZPDEQP-CQSZACIVSA-N 0 0 320.455 0.131 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000299739878 529334394 /nfs/dbraw/zinc/33/43/94/529334394.db2.gz SPEOEGWLTVOXOC-TUAOUCFPSA-N 0 0 321.381 0.498 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCC[C@@H]3CCCO3)cc2o1 ZINC000074850635 545673645 /nfs/dbraw/zinc/67/36/45/545673645.db2.gz PBQCBCADDNSKHY-VIFPVBQESA-N 0 0 312.347 0.969 10 0 DCAERN COC1(CNS(=O)(=O)N2CCC[C@@H](C)C2)CCOCC1 ZINC000119382704 545738717 /nfs/dbraw/zinc/73/87/17/545738717.db2.gz PUEDCMDXLSVQEL-GFCCVEGCSA-N 0 0 306.428 0.748 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC000121250225 545748037 /nfs/dbraw/zinc/74/80/37/545748037.db2.gz KCUZZDSVVAYBSJ-UHFFFAOYSA-N 0 0 304.306 0.033 10 0 DCAERN CN(C(=O)NC[C@H]1CN(C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465509 545856295 /nfs/dbraw/zinc/85/62/95/545856295.db2.gz ULZUABBPGIJWTD-JSGCOSHPSA-N 0 0 321.425 0.770 10 0 DCAERN Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471246 545876340 /nfs/dbraw/zinc/87/63/40/545876340.db2.gz IQEPDSFMYBXOBT-MNOVXSKESA-N 0 0 302.378 0.703 10 0 DCAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCc1cccnc1 ZINC000173936198 545884672 /nfs/dbraw/zinc/88/46/72/545884672.db2.gz ITIPWQGVINSIOG-OAHLLOKOSA-N 0 0 304.394 0.104 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)Nc2cnn(CC3CC3)c2)cn1 ZINC000179458308 545899080 /nfs/dbraw/zinc/89/90/80/545899080.db2.gz CEQGAGBVMGQHEZ-UHFFFAOYSA-N 0 0 317.353 0.880 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)c1ccsc1 ZINC000188911873 545919193 /nfs/dbraw/zinc/91/91/93/545919193.db2.gz FVMJMJJRHOYYDO-SNVBAGLBSA-N 0 0 309.391 0.605 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCN(C)c2ccccc21 ZINC000193309947 545930867 /nfs/dbraw/zinc/93/08/67/545930867.db2.gz JGAWXSIVGWVEMQ-CZUORRHYSA-N 0 0 317.389 0.841 10 0 DCAERN C[C@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000248972980 545970282 /nfs/dbraw/zinc/97/02/82/545970282.db2.gz CZLWBVWYMRSZCX-RYUDHWBXSA-N 0 0 305.353 0.999 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000305429414 546020520 /nfs/dbraw/zinc/02/05/20/546020520.db2.gz DETHTSQCGAWPSF-IUCAKERBSA-N 0 0 318.377 0.886 10 0 DCAERN O=C1N[C@@H](CF)C(=O)N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329457675 546050136 /nfs/dbraw/zinc/05/01/36/546050136.db2.gz QTLGKNFTHCHVNU-VHSXEESVSA-N 0 0 312.322 0.999 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](n2cncn2)C1 ZINC000332931368 546066399 /nfs/dbraw/zinc/06/63/99/546066399.db2.gz RKANHPVMWWMYRR-NWDGAFQWSA-N 0 0 316.369 0.231 10 0 DCAERN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000332966704 546067109 /nfs/dbraw/zinc/06/71/09/546067109.db2.gz UZZMMVZNODUWFF-LXTVHRRPSA-N 0 0 321.421 0.509 10 0 DCAERN C[C@@H](CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333143692 546073829 /nfs/dbraw/zinc/07/38/29/546073829.db2.gz JTRLVUJWPOWGAG-CRWXNKLISA-N 0 0 302.440 0.815 10 0 DCAERN CCN1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000333240624 546075407 /nfs/dbraw/zinc/07/54/07/546075407.db2.gz ZSPOYRBYFSRRFK-IOASZLSFSA-N 0 0 309.410 0.944 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H](F)C2)CC(=O)N1C ZINC000333481021 546082325 /nfs/dbraw/zinc/08/23/25/546082325.db2.gz HHPVTKGRDCWOAL-GIPNMCIBSA-N 0 0 309.345 0.445 10 0 DCAERN Cc1csc(NC(=O)CN2CCC3(CNC(=O)C3)CC2)n1 ZINC000532589294 546289700 /nfs/dbraw/zinc/28/97/00/546289700.db2.gz KJRGMBDLSRMWOB-UHFFFAOYSA-N 0 0 308.407 0.992 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3nc(C)ncc3C2)N(C)C1 ZINC000671438544 547211897 /nfs/dbraw/zinc/21/18/97/547211897.db2.gz NTSWXUVHUJPSBI-IPYPFGDCSA-N 0 0 304.394 0.478 10 0 DCAERN CCOC(=O)CC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000725264164 548750390 /nfs/dbraw/zinc/75/03/90/548750390.db2.gz MWSKGPCPYFKIEE-LLVKDONJSA-N 0 0 303.380 0.365 10 0 DCAERN CC1=C(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)CCCO1 ZINC000888093689 661157627 /nfs/dbraw/zinc/15/76/27/661157627.db2.gz OHHQQUGDLNXFKA-UONOGXRCSA-N 0 0 307.350 0.767 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@H]2CNOC2)cc1OC ZINC000722501218 661282018 /nfs/dbraw/zinc/28/20/18/661282018.db2.gz OMISTHKXMNCJQQ-ZETCQYMHSA-N 0 0 306.315 0.025 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1O ZINC000717385403 667743937 /nfs/dbraw/zinc/74/39/37/667743937.db2.gz MNUQCVXRPSNKHU-WKEGUHRASA-N 0 0 304.140 0.626 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCNS(C)(=O)=O ZINC000188096672 657617563 /nfs/dbraw/zinc/61/75/63/657617563.db2.gz YQFHTPJKEIJGMH-LBPRGKRZSA-N 0 0 312.391 0.874 10 0 DCAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1=O ZINC000247523594 657929345 /nfs/dbraw/zinc/92/93/45/657929345.db2.gz WYGFWNSFNZFNNP-WFASDCNBSA-N 0 0 321.381 0.471 10 0 DCAERN O=S(=O)(c1cccc2ncccc21)N1CCOC[C@H]1CO ZINC000168655381 657958617 /nfs/dbraw/zinc/95/86/17/657958617.db2.gz CGCOPFPGQDBVCR-LLVKDONJSA-N 0 0 308.359 0.617 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COCc2ccccc2)CCC1 ZINC000721569912 658052271 /nfs/dbraw/zinc/05/22/71/658052271.db2.gz XAWBKNJJEUNVJZ-UHFFFAOYSA-N 0 0 312.391 0.531 10 0 DCAERN Cc1ccc(F)c(NC(=O)C[C@H]2CNCCS2(=O)=O)c1 ZINC000725060382 658094676 /nfs/dbraw/zinc/09/46/76/658094676.db2.gz JVGNGSAVPMOPCT-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H]2CNCCS2(=O)=O)cc1F ZINC000725061469 658096239 /nfs/dbraw/zinc/09/62/39/658096239.db2.gz QBTHAWVVRHROTF-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)c1c(C)csc1C)[C@@H](C)O ZINC000725102598 658140361 /nfs/dbraw/zinc/14/03/61/658140361.db2.gz CEMGYBNSVPPGMT-APPZFPTMSA-N 0 0 307.393 0.566 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@H](CO)[C@H](CO)C1 ZINC000725103908 658140767 /nfs/dbraw/zinc/14/07/67/658140767.db2.gz KCKWLDUVTYCMDJ-PHIMTYICSA-N 0 0 305.421 0.586 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC000725113117 658144830 /nfs/dbraw/zinc/14/48/30/658144830.db2.gz VOIXGHYOJPPHMY-WDEREUQCSA-N 0 0 305.421 0.729 10 0 DCAERN CCOc1cc2c(cc1CNC(=O)[C@H]1CNC(=O)N1)O[C@H](C)C2 ZINC000089991028 658400786 /nfs/dbraw/zinc/40/07/86/658400786.db2.gz DHKUXCWQWIMGNY-BXKDBHETSA-N 0 0 319.361 0.706 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H]2CCOC2)cc1 ZINC000048628214 658425960 /nfs/dbraw/zinc/42/59/60/658425960.db2.gz GWJPVSWVNJFQHH-GFCCVEGCSA-N 0 0 312.391 0.419 10 0 DCAERN C[C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235361406 658441008 /nfs/dbraw/zinc/44/10/08/658441008.db2.gz HRMQMGHAZZLVHS-JHJVBQTASA-N 0 0 302.440 0.706 10 0 DCAERN O=C1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCN1 ZINC000037555439 658483007 /nfs/dbraw/zinc/48/30/07/658483007.db2.gz APANLVAGVWTCIV-UHFFFAOYSA-N 0 0 314.754 0.108 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000050899798 658501742 /nfs/dbraw/zinc/50/17/42/658501742.db2.gz BCWWQFQHMCUEIM-NSHDSACASA-N 0 0 309.370 0.260 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(CC1)OCCO2 ZINC000031180059 658539796 /nfs/dbraw/zinc/53/97/96/658539796.db2.gz CUFMPRJSAAEATM-LLVKDONJSA-N 0 0 308.334 0.763 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255056148 658578022 /nfs/dbraw/zinc/57/80/22/658578022.db2.gz AHFLSLZJEXDJPI-RYUDHWBXSA-N 0 0 321.425 0.528 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCCNC(=O)OC ZINC000308337799 658782616 /nfs/dbraw/zinc/78/26/16/658782616.db2.gz OXZAXJYQNGOHQX-UHFFFAOYSA-N 0 0 301.368 0.753 10 0 DCAERN COC(=O)c1nc(C(=O)NCC[C@@H](C)[S@](C)=O)cs1 ZINC000721435751 658831580 /nfs/dbraw/zinc/83/15/80/658831580.db2.gz QRRKSXCWTKMFBS-XJZHNMMOSA-N 0 0 304.393 0.817 10 0 DCAERN CCN1CCN(c2ccc(C(=O)OCC(N)=O)cc2F)CC1 ZINC000157893401 658839864 /nfs/dbraw/zinc/83/98/64/658839864.db2.gz HNQQULNTPGCSPF-UHFFFAOYSA-N 0 0 309.341 0.610 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cc(C)no2)cn1 ZINC000846272971 658978001 /nfs/dbraw/zinc/97/80/01/658978001.db2.gz RHVPCSRXFYQYLP-UONOGXRCSA-N 0 0 320.349 0.705 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@H](O)c1ccccc1F)C(C)C ZINC000178398022 659049404 /nfs/dbraw/zinc/04/94/04/659049404.db2.gz UUFFUURHCTWBMB-STQMWFEESA-N 0 0 311.357 0.929 10 0 DCAERN C[C@](O)(CNC(=O)NCc1cc(C(N)=O)co1)c1ccco1 ZINC000187987412 659322575 /nfs/dbraw/zinc/32/25/75/659322575.db2.gz HCEFIRDQHSDYRL-AWEZNQCLSA-N 0 0 307.306 0.678 10 0 DCAERN CC(=O)N(C)CC(=O)OCCc1cn(-c2ccc(F)cc2)nn1 ZINC000193905343 659466030 /nfs/dbraw/zinc/46/60/30/659466030.db2.gz UGICTVSFLPSZRG-UHFFFAOYSA-N 0 0 320.324 0.970 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000124084412 659639455 /nfs/dbraw/zinc/63/94/55/659639455.db2.gz WFAULXVAKQUFSJ-STQMWFEESA-N 0 0 310.398 0.511 10 0 DCAERN O=CN1CCC(OC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000181951100 665700595 /nfs/dbraw/zinc/70/05/95/665700595.db2.gz HHUJNDCSNNAQFQ-LBPRGKRZSA-N 0 0 308.378 0.942 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000333007686 659772741 /nfs/dbraw/zinc/77/27/41/659772741.db2.gz AJPSCECVNNQAMP-GRYCIOLGSA-N 0 0 320.397 0.912 10 0 DCAERN COCCN(CCC(=O)OC)S(=O)(=O)c1ccns1 ZINC000717773130 667950138 /nfs/dbraw/zinc/95/01/38/667950138.db2.gz XHIJVICGIMSVLT-UHFFFAOYSA-N 0 0 308.381 0.343 10 0 DCAERN COC(=O)[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C ZINC000094996785 661317882 /nfs/dbraw/zinc/31/78/82/661317882.db2.gz RLBNEUZNZOBOHN-ONGXEEELSA-N 0 0 307.375 0.997 10 0 DCAERN COC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)sc(C)c1C ZINC000722571961 661402571 /nfs/dbraw/zinc/40/25/71/661402571.db2.gz WXKBBOPOTLRAHS-SECBINFHSA-N 0 0 307.393 0.486 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCNC[C@@H]1c1cccnc1 ZINC000261828694 661732639 /nfs/dbraw/zinc/73/26/39/661732639.db2.gz YMPKCBSHIDQIQB-UONOGXRCSA-N 0 0 311.407 0.537 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000338950768 661809403 /nfs/dbraw/zinc/80/94/03/661809403.db2.gz IBIUZJDCTWLMMT-LBPRGKRZSA-N 0 0 307.375 0.323 10 0 DCAERN CCN(C(=S)NC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000048227099 661821291 /nfs/dbraw/zinc/82/12/91/661821291.db2.gz YHJQSHCRCWAHRV-WDEREUQCSA-N 0 0 306.453 0.549 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](c1nncn1C)C(C)C ZINC000340738187 662109774 /nfs/dbraw/zinc/10/97/74/662109774.db2.gz GZMVQNGBGATBIQ-WDEREUQCSA-N 0 0 311.411 0.550 10 0 DCAERN NCc1nc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)no1 ZINC000262235625 662187599 /nfs/dbraw/zinc/18/75/99/662187599.db2.gz OMIUGDLCJQSQEW-UHFFFAOYSA-N 0 0 319.340 0.512 10 0 DCAERN O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000896175429 662248001 /nfs/dbraw/zinc/24/80/01/662248001.db2.gz VKGIZPUMUVKMSG-UONOGXRCSA-N 0 0 305.382 0.162 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262914374 662597979 /nfs/dbraw/zinc/59/79/79/662597979.db2.gz GCWCQTUONGUVTE-LLVKDONJSA-N 0 0 318.368 0.590 10 0 DCAERN O=C(COC(=O)C1(O)CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000729026281 662603599 /nfs/dbraw/zinc/60/35/99/662603599.db2.gz KNGZPVAOKOVOQK-UHFFFAOYSA-N 0 0 323.301 0.439 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC(F)(F)CN1 ZINC000263086876 662627071 /nfs/dbraw/zinc/62/70/71/662627071.db2.gz YBJWEQZEBPTAQK-WDEREUQCSA-N 0 0 311.336 0.559 10 0 DCAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000035148987 662977338 /nfs/dbraw/zinc/97/73/38/662977338.db2.gz HAQVHPSALHGWEU-SNVBAGLBSA-N 0 0 321.424 0.224 10 0 DCAERN C[C@@H](O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000344895664 663079916 /nfs/dbraw/zinc/07/99/16/663079916.db2.gz XMOQHVBHNSMTQV-HTQZYQBOSA-N 0 0 300.336 0.179 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000075526322 663084357 /nfs/dbraw/zinc/08/43/57/663084357.db2.gz JVCVKEPLQBITEE-MWLCHTKSSA-N 0 0 307.375 0.592 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251078112 663150364 /nfs/dbraw/zinc/15/03/64/663150364.db2.gz GOVAKTWNHZLVAO-YFKTTZPYSA-N 0 0 301.412 0.064 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCc2cnc(N(C)C)n2C)[nH]1 ZINC000435457897 663198063 /nfs/dbraw/zinc/19/80/63/663198063.db2.gz MZAAASPGSSXUCN-UHFFFAOYSA-N 0 0 313.365 0.996 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900939612 663295759 /nfs/dbraw/zinc/29/57/59/663295759.db2.gz AJXKQCATVIOMIS-UEKVPHQBSA-N 0 0 300.399 0.630 10 0 DCAERN COC(=O)N1CC(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)C1 ZINC000901140259 663324970 /nfs/dbraw/zinc/32/49/70/663324970.db2.gz VRLVNQJLPOTKJX-PBINXNQUSA-N 0 0 312.391 0.512 10 0 DCAERN CCc1nc[nH]c1C(=O)N1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000908092018 663731730 /nfs/dbraw/zinc/73/17/30/663731730.db2.gz IMOWGFRHJLHQNM-OAHLLOKOSA-N 0 0 318.381 0.878 10 0 DCAERN COC[C@H]1CN(C(=O)CNC(=O)N2CCCC2)CC(C)(C)O1 ZINC000908092354 663731766 /nfs/dbraw/zinc/73/17/66/663731766.db2.gz YIYWEECRDKBXJB-GFCCVEGCSA-N 0 0 313.398 0.444 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000908095160 663732955 /nfs/dbraw/zinc/73/29/55/663732955.db2.gz WOZWXGWTCBEULU-WDEREUQCSA-N 0 0 307.350 0.936 10 0 DCAERN COc1ccc(O)c(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c1 ZINC000909160197 663782703 /nfs/dbraw/zinc/78/27/03/663782703.db2.gz WRXVWQMDPFRUJO-KWCYVHTRSA-N 0 0 303.318 0.702 10 0 DCAERN O=C(Cc1cn2ccccc2n1)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909160369 663782728 /nfs/dbraw/zinc/78/27/28/663782728.db2.gz ZYFLPGAVXRYXOT-DVOMOZLQSA-N 0 0 311.345 0.564 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cnc2n1CCCCC2 ZINC000909189373 663785902 /nfs/dbraw/zinc/78/59/02/663785902.db2.gz IPCZTLCAOJMUBG-KYOSRNDESA-N 0 0 315.377 0.910 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000040335287 1157395327 /nfs/dbraw/zinc/39/53/27/1157395327.db2.gz JAYSKSYFKIFWDY-UHFFFAOYSA-N 0 0 317.798 0.640 10 0 DCAERN O=C(Nc1ccc(C(=O)N2CCOC[C@H]2CO)cc1)C1CC1 ZINC000912427739 664175246 /nfs/dbraw/zinc/17/52/46/664175246.db2.gz OSISMPQZJDMDLQ-CQSZACIVSA-N 0 0 304.346 0.868 10 0 DCAERN Cn1cc(NC(=O)C(F)(F)c2ccccc2)c(=O)n(C)c1=O ZINC000150736102 664180220 /nfs/dbraw/zinc/18/02/20/664180220.db2.gz QTSYHIUPWRVBHX-UHFFFAOYSA-N 0 0 309.272 0.815 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC000913084793 664266730 /nfs/dbraw/zinc/26/67/30/664266730.db2.gz HFIWZTVQAGHVCW-YRGRVCCFSA-N 0 0 320.393 0.509 10 0 DCAERN Cc1nc(CC(=O)NCCCn2ccnc2)c(C)c(=O)n1C ZINC000222931841 664395479 /nfs/dbraw/zinc/39/54/79/664395479.db2.gz VJSGHKSEOWDSLF-UHFFFAOYSA-N 0 0 303.366 0.343 10 0 DCAERN CCc1nccn1CCCNC(=O)Cc1nc(C)[nH]c(=O)c1C ZINC000222934128 664395713 /nfs/dbraw/zinc/39/57/13/664395713.db2.gz UMEUSOWOAIGVIN-UHFFFAOYSA-N 0 0 317.393 0.895 10 0 DCAERN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCCO)cc21 ZINC000223678966 664420176 /nfs/dbraw/zinc/42/01/76/664420176.db2.gz QRKDORZQQPRWLO-UHFFFAOYSA-N 0 0 312.391 0.967 10 0 DCAERN NC(=O)NCCNC(=O)c1c(F)cccc1Br ZINC000226645514 664520017 /nfs/dbraw/zinc/52/00/17/664520017.db2.gz PSBDSZHMOHPMNS-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN O=c1n2ccccc2nn1CN1CCN(c2cccnn2)CC1 ZINC000170638729 664583752 /nfs/dbraw/zinc/58/37/52/664583752.db2.gz BOASVJBOWFQGAY-UHFFFAOYSA-N 0 0 311.349 0.066 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)OC[C@@H]2CC=CCC2)CC1 ZINC000171374323 664608107 /nfs/dbraw/zinc/60/81/07/664608107.db2.gz MUELMMAAPKCUSY-LLVKDONJSA-N 0 0 302.396 0.801 10 0 DCAERN COC1CC(NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000230725557 664623929 /nfs/dbraw/zinc/62/39/29/664623929.db2.gz ACFDXSLNDQENIZ-UHFFFAOYSA-N 0 0 302.327 0.380 10 0 DCAERN Cn1c(C(=O)NCCNS(C)(=O)=O)ccc1-c1ccccc1 ZINC000173031849 664626589 /nfs/dbraw/zinc/62/65/89/664626589.db2.gz XCNHSZQWVDBQNN-UHFFFAOYSA-N 0 0 321.402 0.971 10 0 DCAERN CN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000174351033 664639169 /nfs/dbraw/zinc/63/91/69/664639169.db2.gz VBNYNBKAUMWFFE-NSHDSACASA-N 0 0 305.444 0.593 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730279188 664674931 /nfs/dbraw/zinc/67/49/31/664674931.db2.gz KPDNANNZWCKFSU-LLVKDONJSA-N 0 0 319.361 0.443 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)NC(C)(C)C ZINC000730313182 664684328 /nfs/dbraw/zinc/68/43/28/664684328.db2.gz XLMXRTKWAQLNAB-WPRPVWTQSA-N 0 0 302.396 0.754 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1csc(-c2ccccn2)n1 ZINC000152203995 664740141 /nfs/dbraw/zinc/74/01/41/664740141.db2.gz VQYVHTNCKLKEHW-MRVPVSSYSA-N 0 0 316.342 0.740 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@H](c3nccs3)C2)nn1 ZINC000152239935 664741678 /nfs/dbraw/zinc/74/16/78/664741678.db2.gz YIQOQUUAOTZSCM-JTQLQIEISA-N 0 0 309.351 0.552 10 0 DCAERN CCN1C(=O)CN(CN2CCC(Cn3cccn3)CC2)C1=O ZINC000152760179 664773019 /nfs/dbraw/zinc/77/30/19/664773019.db2.gz MBPXOXSMRQDINZ-UHFFFAOYSA-N 0 0 305.382 0.837 10 0 DCAERN O=c1n(CN2CCO[C@@H](Cn3cccn3)C2)nc2ccccn21 ZINC000152828306 664775461 /nfs/dbraw/zinc/77/54/61/664775461.db2.gz LZULLMPIEGHUEU-CYBMUJFWSA-N 0 0 314.349 0.051 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@@H](n3cc(C)cn3)C2)nn1 ZINC000152922276 664779372 /nfs/dbraw/zinc/77/93/72/664779372.db2.gz VXHLTELMGSXYCU-GFCCVEGCSA-N 0 0 304.354 0.864 10 0 DCAERN C[C@H]1Oc2ccc(C(=O)COC(=O)[C@@H](O)C3CC3)cc2NC1=O ZINC000730876962 664824253 /nfs/dbraw/zinc/82/42/53/664824253.db2.gz BVJZWZSDPUHKNT-CLAHSXSESA-N 0 0 319.313 0.903 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000731652904 664875504 /nfs/dbraw/zinc/87/55/04/664875504.db2.gz RJGFYQRLCCNFQE-NEPJUHHUSA-N 0 0 302.396 0.077 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)NCCCNS(C)(=O)=O ZINC000399080418 1157527768 /nfs/dbraw/zinc/52/77/68/1157527768.db2.gz TVJWPVVGKAYILE-UHFFFAOYSA-N 0 0 303.359 0.385 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(=O)n(C)c2)C1 ZINC000130444215 665050486 /nfs/dbraw/zinc/05/04/86/665050486.db2.gz WQCLJEOURLLUGE-CQSZACIVSA-N 0 0 308.378 0.899 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)/C=C/c1ccc(Br)o1 ZINC000035162429 665292737 /nfs/dbraw/zinc/29/27/37/665292737.db2.gz UTOJATKAOGZRRF-RYEJSQLPSA-N 0 0 318.123 0.705 10 0 DCAERN CCOC(=O)CCC(=O)Cn1cncc(Br)c1=O ZINC000233666744 665325527 /nfs/dbraw/zinc/32/55/27/665325527.db2.gz XQDVVNXUJJYVRF-UHFFFAOYSA-N 0 0 317.139 0.918 10 0 DCAERN CCOC(=O)CN1CCC(COC(=O)Cc2ccn(C)n2)CC1 ZINC000183286661 666018217 /nfs/dbraw/zinc/01/82/17/666018217.db2.gz PLKLBBPLBSWTBV-UHFFFAOYSA-N 0 0 323.393 0.781 10 0 DCAERN C[C@@H](C[C@H](O)c1ccco1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798455 666115530 /nfs/dbraw/zinc/11/55/30/666115530.db2.gz XIEWPMADUTVJNY-JQWIXIFHSA-N 0 0 309.366 0.917 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)CCn1cccn1 ZINC000183938753 666154059 /nfs/dbraw/zinc/15/40/59/666154059.db2.gz UDDWEHNTICJNHN-GFCCVEGCSA-N 0 0 317.411 0.877 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccccc1C=O ZINC000071959312 666191339 /nfs/dbraw/zinc/19/13/39/666191339.db2.gz VDADGZZZVGZBLS-NEPJUHHUSA-N 0 0 304.346 0.990 10 0 DCAERN CCC1(CC)CN(C(=O)C2=NN(C)C(=O)CC2)CC[S@@]1=O ZINC000186707040 666581748 /nfs/dbraw/zinc/58/17/48/666581748.db2.gz JZJDFYNPOZCWKS-NRFANRHFSA-N 0 0 313.423 0.744 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cnn(C)c1 ZINC000073928624 666599701 /nfs/dbraw/zinc/59/97/01/666599701.db2.gz PBJOCODWEPDHAU-LBPRGKRZSA-N 0 0 315.395 0.668 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCF)C2)c1Cl ZINC000700578269 666734459 /nfs/dbraw/zinc/73/44/59/666734459.db2.gz JUPBTLQLVJYPPG-QMMMGPOBSA-N 0 0 311.766 0.823 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000733898494 666824588 /nfs/dbraw/zinc/82/45/88/666824588.db2.gz KUZSPPUOQQVKHH-SFHVURJKSA-N 0 0 303.405 0.668 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)c(C)c1 ZINC000735081769 666948674 /nfs/dbraw/zinc/94/86/74/666948674.db2.gz VPTOHSCNLOUEKM-LJQANCHMSA-N 0 0 319.404 0.438 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H](C)c1nnc2ccccn21 ZINC000735091374 666950666 /nfs/dbraw/zinc/95/06/66/666950666.db2.gz ZCRKTWFEZSRGRR-LADRHHBVSA-N 0 0 309.395 0.858 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCN1c2ccccc2CC1=O ZINC000735095240 666951256 /nfs/dbraw/zinc/95/12/56/666951256.db2.gz IIJSVKDVNFDIAT-QFIPXVFZSA-N 0 0 323.418 0.644 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000735096016 666951769 /nfs/dbraw/zinc/95/17/69/666951769.db2.gz MIHIFSALQIWGEQ-CWKPULSASA-N 0 0 315.395 0.352 10 0 DCAERN CC[S@@](=O)CCNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000735112326 666954882 /nfs/dbraw/zinc/95/48/82/666954882.db2.gz URIPGXSJODCZAZ-XTZNXHDOSA-N 0 0 312.457 0.220 10 0 DCAERN CO[C@@](C)(CO)CNC(=O)c1cnn(C)c1Br ZINC000702501714 666959029 /nfs/dbraw/zinc/95/90/29/666959029.db2.gz HUYKGFGLCCTIAL-SNVBAGLBSA-N 0 0 306.160 0.310 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000702818632 666999877 /nfs/dbraw/zinc/99/98/77/666999877.db2.gz KIUNGMWMIPJHAH-PWSUYJOCSA-N 0 0 324.381 0.296 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2cnc(Br)cn2)C1 ZINC000703158604 667053873 /nfs/dbraw/zinc/05/38/73/667053873.db2.gz DPBWVQYOTXHGBK-SSDOTTSWSA-N 0 0 321.200 0.367 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1F ZINC000703178617 667065036 /nfs/dbraw/zinc/06/50/36/667065036.db2.gz KLUMZTSDPLAFSN-RQJHMYQMSA-N 0 0 321.761 0.820 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cn1c2ccccc2n(C)c1=O ZINC000736287563 667137872 /nfs/dbraw/zinc/13/78/72/667137872.db2.gz JDHNGKBAZRHRTI-VXGBXAGGSA-N 0 0 323.418 0.805 10 0 DCAERN Cc1nnc(CN2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)o1 ZINC000864329192 667242070 /nfs/dbraw/zinc/24/20/70/667242070.db2.gz TVWYTEUFRIWMJN-SNVBAGLBSA-N 0 0 304.354 0.929 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CCSC1 ZINC000704797010 667257321 /nfs/dbraw/zinc/25/73/21/667257321.db2.gz USDGIRPXFDEPQF-GHMZBOCLSA-N 0 0 306.453 0.023 10 0 DCAERN C[C@@H]1CN(Cn2cnc3cc(F)c(F)cc32)C[C@@H](C(N)=O)O1 ZINC000120187291 667275302 /nfs/dbraw/zinc/27/53/02/667275302.db2.gz FKHOZOUCNBOUOP-OQPBUACISA-N 0 0 310.304 0.847 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CSc1nnnn1C1CC1 ZINC000706302103 667411883 /nfs/dbraw/zinc/41/18/83/667411883.db2.gz SZMBEDRLFCAMDN-SSDOTTSWSA-N 0 0 301.372 0.224 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708150611 667441987 /nfs/dbraw/zinc/44/19/87/667441987.db2.gz WGPQBIYLOAETTD-NSHDSACASA-N 0 0 303.428 0.706 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1c(O)cccc1F ZINC000708273425 667442405 /nfs/dbraw/zinc/44/24/05/667442405.db2.gz DYHMRUSQTOIRKZ-UHFFFAOYSA-N 0 0 304.343 0.589 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000711185351 667452225 /nfs/dbraw/zinc/45/22/25/667452225.db2.gz WKXUGYPRFLPXRI-SSDOTTSWSA-N 0 0 321.196 0.943 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)c2cn[nH]c2)[C@@H]1c1nccn1C ZINC000886027446 667725579 /nfs/dbraw/zinc/72/55/79/667725579.db2.gz YIRGWQYIQVYRQE-QWHCGFSZSA-N 0 0 318.381 0.335 10 0 DCAERN CC(C)n1ncnc1CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071894 667728338 /nfs/dbraw/zinc/72/83/38/667728338.db2.gz OWTMOECFEZJFJE-HNNXBMFYSA-N 0 0 323.397 0.220 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(C)[nH]c(=O)c2)C[C@H]1c1cn(C)nn1 ZINC000886077862 667729286 /nfs/dbraw/zinc/72/92/86/667729286.db2.gz IJHXGUKYVHSGQB-WCQYABFASA-N 0 0 317.349 0.479 10 0 DCAERN C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096377 667731835 /nfs/dbraw/zinc/73/18/35/667731835.db2.gz CXWHEBGGTMKXGD-CYBMUJFWSA-N 0 0 318.381 0.620 10 0 DCAERN Cc1ncc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)[nH]1 ZINC000886096818 667731884 /nfs/dbraw/zinc/73/18/84/667731884.db2.gz GRIMCGYYYWZMQY-ZWNOBZJWSA-N 0 0 316.365 0.544 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)CC1 ZINC000123278637 667752448 /nfs/dbraw/zinc/75/24/48/667752448.db2.gz FDZYPIMZWIILED-HOCLYGCPSA-N 0 0 322.405 0.644 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccccc1S(C)(=O)=O ZINC000741423305 667771126 /nfs/dbraw/zinc/77/11/26/667771126.db2.gz CPZBGJVBGXJMBF-LJQANCHMSA-N 0 0 318.420 0.980 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)NCC[S@@](=O)CC)c1C ZINC000742293039 667788528 /nfs/dbraw/zinc/78/85/28/667788528.db2.gz JQSAETCLUZJUGH-SFHVURJKSA-N 0 0 307.441 0.567 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)Cc1ccc(Br)cc1F ZINC000717420389 667799785 /nfs/dbraw/zinc/79/97/85/667799785.db2.gz VGZZHLWLANDEAI-CPCISQLKSA-N 0 0 320.158 0.989 10 0 DCAERN C[C@H](CNS(C)(=O)=O)OC(=O)c1cnn2c1CCCC2 ZINC000125839016 668430307 /nfs/dbraw/zinc/43/03/07/668430307.db2.gz SJHBMSOOUFCHKI-SECBINFHSA-N 0 0 301.368 0.314 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(F)cc1 ZINC000126453245 668597528 /nfs/dbraw/zinc/59/75/28/668597528.db2.gz WYIOUXBYKVDVDV-LBPRGKRZSA-N 0 0 300.355 0.219 10 0 DCAERN C[C@H](c1ccccc1)N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126576723 668626567 /nfs/dbraw/zinc/62/65/67/668626567.db2.gz NTLTVPCHQUNFKP-TZMCWYRMSA-N 0 0 310.419 0.983 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@H]1C1CCCC1 ZINC000126713083 668646367 /nfs/dbraw/zinc/64/63/67/668646367.db2.gz NWUBHVLPDFKWAJ-KGLIPLIRSA-N 0 0 314.451 0.944 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccnc2cc(C)nn21 ZINC000932442597 669365206 /nfs/dbraw/zinc/36/52/06/669365206.db2.gz SEZSRCVQDYUTPU-SNVBAGLBSA-N 0 0 302.338 0.780 10 0 DCAERN CNC(=O)CC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000187261659 669716410 /nfs/dbraw/zinc/71/64/10/669716410.db2.gz DMIVAYNFLUZDRF-UHFFFAOYSA-N 0 0 318.421 0.974 10 0 DCAERN C[C@@H]1SCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)[C@H]1C ZINC000132561184 669732322 /nfs/dbraw/zinc/73/23/22/669732322.db2.gz ALOZEPAAFSQIHP-GARJFASQSA-N 0 0 306.453 0.116 10 0 DCAERN CCOC(=O)c1cnn(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000133231441 669790254 /nfs/dbraw/zinc/79/02/54/669790254.db2.gz AOTBOGZQDYHLQC-AWEZNQCLSA-N 0 0 319.365 0.615 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc([C@@H]3CCCCS3)no2)C1 ZINC000157588274 669922315 /nfs/dbraw/zinc/92/23/15/669922315.db2.gz ZLOHSLRNSQDTQC-ZJUUUORDSA-N 0 0 317.436 0.957 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnc(Cl)c(C)c2)CC1=O ZINC000191517938 670048628 /nfs/dbraw/zinc/04/86/28/670048628.db2.gz HKBHCLCBAYNHFS-UHFFFAOYSA-N 0 0 310.741 0.630 10 0 DCAERN CO[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000713278471 670154990 /nfs/dbraw/zinc/15/49/90/670154990.db2.gz WBDJRAZHIDNTDC-TZMCWYRMSA-N 0 0 306.362 0.819 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1cn(C)nc1Br ZINC000713862742 670170937 /nfs/dbraw/zinc/17/09/37/670170937.db2.gz ZCTFOBBCTLSPAB-VIFPVBQESA-N 0 0 301.188 0.893 10 0 DCAERN CC(=O)N1CCN(Cc2cn(C)nc2Br)CC1 ZINC000713862020 670171068 /nfs/dbraw/zinc/17/10/68/670171068.db2.gz VMPFLGAYVDNDPJ-UHFFFAOYSA-N 0 0 301.188 0.847 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COc2cccc(Cl)c2)CC1 ZINC000713991181 670173270 /nfs/dbraw/zinc/17/32/70/670173270.db2.gz XHMNTKCYCNDUIH-UHFFFAOYSA-N 0 0 318.782 0.656 10 0 DCAERN CNc1cnc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)cn1 ZINC000713977244 670173469 /nfs/dbraw/zinc/17/34/69/670173469.db2.gz HLYVGZLVRWNAMN-UHFFFAOYSA-N 0 0 300.384 0.414 10 0 DCAERN Cc1c(Cl)cccc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714256738 670182845 /nfs/dbraw/zinc/18/28/45/670182845.db2.gz FIYMHOQXKWKYPN-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN O=C(CCC1CCCCC1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714306265 670183849 /nfs/dbraw/zinc/18/38/49/670183849.db2.gz ZTIMGRJFXROOIP-UHFFFAOYSA-N 0 0 303.428 0.613 10 0 DCAERN O=C(C[C@@H]1CCCC1(F)F)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714305622 670184062 /nfs/dbraw/zinc/18/40/62/670184062.db2.gz UQMOXXGZUFGAKS-VIFPVBQESA-N 0 0 311.354 0.078 10 0 DCAERN CNc1nc(C(=O)NCC[C@@H]2CCCS2(=O)=O)cs1 ZINC000714340780 670184598 /nfs/dbraw/zinc/18/45/98/670184598.db2.gz XQDBJAVWIWQCLF-QMMMGPOBSA-N 0 0 303.409 0.882 10 0 DCAERN COC(=O)C1(O)CN(c2cc(C)c(Br)cn2)C1 ZINC000714462974 670188805 /nfs/dbraw/zinc/18/88/05/670188805.db2.gz UCCVVXBMSZOGON-UHFFFAOYSA-N 0 0 301.140 0.877 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000714464277 670189424 /nfs/dbraw/zinc/18/94/24/670189424.db2.gz NZLODLYLTWJRCP-UHFFFAOYSA-N 0 0 305.739 0.248 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2nscc2Br)C1 ZINC000714505497 670190483 /nfs/dbraw/zinc/19/04/83/670190483.db2.gz CRJSWPJURLUBIB-UHFFFAOYSA-N 0 0 321.152 0.266 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1cccc(C=O)c1 ZINC000080061763 670262826 /nfs/dbraw/zinc/26/28/26/670262826.db2.gz NSVCGYMLJCJBLO-AAEUAGOBSA-N 0 0 304.346 0.990 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCS1(=O)=O ZINC000194163751 670407150 /nfs/dbraw/zinc/40/71/50/670407150.db2.gz FEWXSDUNZSCKKJ-MRVPVSSYSA-N 0 0 307.322 0.407 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnn(-c2ccccc2)n1 ZINC000112655660 670636298 /nfs/dbraw/zinc/63/62/98/670636298.db2.gz NVJJSLUVIOUGDQ-NSHDSACASA-N 0 0 309.333 0.604 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCNc1ncccn1 ZINC000109414283 670924917 /nfs/dbraw/zinc/92/49/17/670924917.db2.gz PUTIGUPPFWXTII-SNVBAGLBSA-N 0 0 304.306 0.843 10 0 DCAERN Cn1nncc1CN1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189649 670986585 /nfs/dbraw/zinc/98/65/85/670986585.db2.gz VOVXSGPIAPQOIZ-OAHLLOKOSA-N 0 0 318.381 0.645 10 0 DCAERN O=C(c1csc(Br)n1)N1CCO[C@@H](CO)C1 ZINC000821065041 671250310 /nfs/dbraw/zinc/25/03/10/671250310.db2.gz JCTVDHBBTIVFDQ-ZCFIWIBFSA-N 0 0 307.169 0.739 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)OCCOCCn2cccn2)C1 ZINC000105553357 672185486 /nfs/dbraw/zinc/18/54/86/672185486.db2.gz DZTQYQPGXZRVJM-CQSZACIVSA-N 0 0 309.366 0.701 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@H]1O ZINC000089398037 1158466010 /nfs/dbraw/zinc/46/60/10/1158466010.db2.gz VLFGXBZRVRPONE-GRYCIOLGSA-N 0 0 304.412 0.030 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000399158725 685275036 /nfs/dbraw/zinc/27/50/36/685275036.db2.gz CFZOJJQHUPAGFL-OUAUKWLOSA-N 0 0 307.437 0.279 10 0 DCAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CNOC2)c1 ZINC000722502837 685319535 /nfs/dbraw/zinc/31/95/35/685319535.db2.gz OTVKBISDQNZMKV-MRVPVSSYSA-N 0 0 320.754 0.308 10 0 DCAERN CN(CC(N)=O)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037993108 685056817 /nfs/dbraw/zinc/05/68/17/685056817.db2.gz FGZHLEFGOJTHBB-UHFFFAOYSA-N 0 0 302.743 0.094 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2csc([C@H](C)N)n2)CC1 ZINC000090949484 685103086 /nfs/dbraw/zinc/10/30/86/685103086.db2.gz DZSDXRWFNLUFAR-VIFPVBQESA-N 0 0 311.411 0.650 10 0 DCAERN CN(CC1CC(O)C1)C(=O)Cn1cnc2ccccc2c1=O ZINC000135349373 685121474 /nfs/dbraw/zinc/12/14/74/685121474.db2.gz KOQUVIVKBFJOEX-UHFFFAOYSA-N 0 0 301.346 0.626 10 0 DCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)CSC(C)(C)C ZINC000176555742 685146268 /nfs/dbraw/zinc/14/62/68/685146268.db2.gz AHOVGTOPCSXDKZ-LBPRGKRZSA-N 0 0 304.456 0.670 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccn2ccnc2c1 ZINC000178377498 685150840 /nfs/dbraw/zinc/15/08/40/685150840.db2.gz DPEHKQKZTBGYPY-GFCCVEGCSA-N 0 0 304.375 0.872 10 0 DCAERN CC(C)n1nnnc1CSc1nnc(C(F)(F)F)n1N ZINC000195516844 685154971 /nfs/dbraw/zinc/15/49/71/685154971.db2.gz OGNXSXRLQZLKRM-UHFFFAOYSA-N 0 0 308.293 0.870 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CSCCS2)C[C@H]1C ZINC000246483647 685164597 /nfs/dbraw/zinc/16/45/97/685164597.db2.gz HVDKNJPUIPCYFC-WOPDTQHZSA-N 0 0 304.481 0.749 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCN1CCO ZINC000249509312 685180869 /nfs/dbraw/zinc/18/08/69/685180869.db2.gz MIUYZYHMMHWSCR-RHSMWYFYSA-N 0 0 306.406 0.809 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCO[C@@H](C)C1 ZINC000250204228 685184763 /nfs/dbraw/zinc/18/47/63/685184763.db2.gz PLTUANHBQXAMTL-UONOGXRCSA-N 0 0 311.426 0.567 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000250120809 685184862 /nfs/dbraw/zinc/18/48/62/685184862.db2.gz IRWPRFNINGDBLS-MPKXVKKWSA-N 0 0 316.361 0.687 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cnc(OC)s1 ZINC000385626819 685247162 /nfs/dbraw/zinc/24/71/62/685247162.db2.gz HXFROUHMCWYZMG-IUCAKERBSA-N 0 0 306.409 0.933 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC000398417192 1158118618 /nfs/dbraw/zinc/11/86/18/1158118618.db2.gz WNGBPFVQQFJZMN-MRVPVSSYSA-N 0 0 303.771 0.458 10 0 DCAERN CNC(=O)[C@@H]1CCN(C(=O)c2cnn(C)c2Br)C1 ZINC000398495803 1158121484 /nfs/dbraw/zinc/12/14/84/1158121484.db2.gz JRYAOYCCJUCYEI-SSDOTTSWSA-N 0 0 315.171 0.391 10 0 DCAERN COCCC(=O)N1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000333390724 1158325605 /nfs/dbraw/zinc/32/56/05/1158325605.db2.gz CXFUGJKCHNDERF-CQSZACIVSA-N 0 0 317.389 0.819 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NCCOCCCO)c1 ZINC000356823843 1159101844 /nfs/dbraw/zinc/10/18/44/1159101844.db2.gz BVSWTIDYDIMBNN-UHFFFAOYSA-N 0 0 308.334 0.343 10 0 DCAERN CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593119 1171547318 /nfs/dbraw/zinc/54/73/18/1171547318.db2.gz GJWUZXFADDWRGG-QMMMGPOBSA-N 0 0 303.359 0.601 10 0 DCAERN CC(=O)N1CCC(NC(=O)CCNC(=O)c2ccsc2)CC1 ZINC000045870852 1171597512 /nfs/dbraw/zinc/59/75/12/1171597512.db2.gz UDHCFYNWBSXAFW-UHFFFAOYSA-N 0 0 323.418 0.995 10 0 DCAERN NC(=O)[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000054551215 1171844063 /nfs/dbraw/zinc/84/40/63/1171844063.db2.gz OTZXEVYKHQRPBJ-HNNXBMFYSA-N 0 0 309.329 0.774 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](NC(N)=O)C(C)C ZINC000075437871 1173932309 /nfs/dbraw/zinc/93/23/09/1173932309.db2.gz DPIHAFRZBJPAPQ-RNCFNFMXSA-N 0 0 309.414 0.777 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1ccc(Br)cc1N ZINC000094046153 1175693637 /nfs/dbraw/zinc/69/36/37/1175693637.db2.gz OQUYLRFWOBEAPN-ZETCQYMHSA-N 0 0 312.167 0.992 10 0 DCAERN Cc1cc(CC(=O)NCCNC(=O)c2ccccc2O)n[nH]1 ZINC000126530033 1177247858 /nfs/dbraw/zinc/24/78/58/1177247858.db2.gz WUNBKVTYFXXBEL-UHFFFAOYSA-N 0 0 302.334 0.512 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000133822518 1177529065 /nfs/dbraw/zinc/52/90/65/1177529065.db2.gz STUQQSARRRKHMS-SSDOTTSWSA-N 0 0 304.318 0.854 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)sc1Cl ZINC000231809827 1180557721 /nfs/dbraw/zinc/55/77/21/1180557721.db2.gz PKTPIJLEBALMKP-ZCFIWIBFSA-N 0 0 322.795 0.793 10 0 DCAERN NC(=O)COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172352354 1183840878 /nfs/dbraw/zinc/84/08/78/1183840878.db2.gz GSZLCOCCDZUBEH-OCZCAGDBSA-N 0 0 318.373 0.784 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1cnn(CC2CC2)c1 ZINC000176978846 1184224959 /nfs/dbraw/zinc/22/49/59/1184224959.db2.gz ZOMVSOZGBWGNFA-UHFFFAOYSA-N 0 0 300.384 0.513 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN(C)Cc2nc[nH]n2)CC1 ZINC000177145649 1184226143 /nfs/dbraw/zinc/22/61/43/1184226143.db2.gz CTBBOPOUMRNILA-UHFFFAOYSA-N 0 0 309.370 0.038 10 0 DCAERN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[C@@H]2O)cc1 ZINC000183691945 1185193839 /nfs/dbraw/zinc/19/38/39/1185193839.db2.gz CKMQODFYTNIKGS-STQMWFEESA-N 0 0 314.363 0.970 10 0 DCAERN COC[C@@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@H](C)O1 ZINC000188326072 1187629244 /nfs/dbraw/zinc/62/92/44/1187629244.db2.gz SLYDIRAZBKLNGL-RYUDHWBXSA-N 0 0 304.350 0.694 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(N)=O)C1 ZINC000188602427 1187758109 /nfs/dbraw/zinc/75/81/09/1187758109.db2.gz OOZUPMKFOBAFSX-MFKMUULPSA-N 0 0 301.350 0.544 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCC(n2ccnc2)CC1 ZINC000188845956 1187812826 /nfs/dbraw/zinc/81/28/26/1187812826.db2.gz DIBNIXPFFWWPAF-UHFFFAOYSA-N 0 0 324.344 0.992 10 0 DCAERN O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1CCC(=O)N1 ZINC000193618143 1188073194 /nfs/dbraw/zinc/07/31/94/1188073194.db2.gz WZZNSGSPNWPEPU-CYBMUJFWSA-N 0 0 312.329 0.509 10 0 DCAERN Cn1cnnc1CNC(=O)c1nscc1Br ZINC000404808269 1190218474 /nfs/dbraw/zinc/21/84/74/1190218474.db2.gz VMOYASSXEQGCGJ-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN CCOCCOC1CCN(S(=O)(=O)c2ncc[n-]2)CC1 ZINC000313180341 1190394832 /nfs/dbraw/zinc/39/48/32/1190394832.db2.gz VLYCIWKBSIQUED-UHFFFAOYSA-N 0 0 303.384 0.616 10 0 DCAERN Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000388732990 1190698636 /nfs/dbraw/zinc/69/86/36/1190698636.db2.gz BOVSFNHZVSKENM-AWEZNQCLSA-N 0 0 306.322 0.035 10 0 DCAERN NC(=O)C1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000382074490 1190699110 /nfs/dbraw/zinc/69/91/10/1190699110.db2.gz HKADHVZCJHENAB-UHFFFAOYSA-N 0 0 314.754 0.094 10 0 DCAERN Cc1cncc(/C=C\C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000588525677 747404301 /nfs/dbraw/zinc/40/43/01/747404301.db2.gz APQQSNZVNCQLJB-ARJAWSKDSA-N 0 0 309.391 0.411 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000178127937 757939610 /nfs/dbraw/zinc/93/96/10/757939610.db2.gz PGXZKRLOWXHFLP-GFCCVEGCSA-N 0 0 301.346 0.707 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)NCC3CC3)c2)NC(=O)NC1=O ZINC000171006483 769563672 /nfs/dbraw/zinc/56/36/72/769563672.db2.gz LLNCTZORJVGUAX-MRXNPFEDSA-N 0 0 316.361 0.950 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)C2 ZINC000181221156 774030272 /nfs/dbraw/zinc/03/02/72/774030272.db2.gz DCEKEZGKGCXQPV-BMIGLBTASA-N 0 0 301.346 0.896 10 0 DCAERN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1cccnc1F ZINC000401832377 774067835 /nfs/dbraw/zinc/06/78/35/774067835.db2.gz NSRKNCSGSYRKKB-MRVPVSSYSA-N 0 0 308.356 0.076 10 0 DCAERN CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1cccnc1F ZINC000401806476 774066468 /nfs/dbraw/zinc/06/64/68/774066468.db2.gz BXZDVDBJGVACSO-UHFFFAOYSA-N 0 0 310.372 0.322 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2F)C[C@H]1C ZINC000401895313 774070627 /nfs/dbraw/zinc/07/06/27/774070627.db2.gz WGSNOMDZTIXJHL-RKDXNWHRSA-N 0 0 302.327 0.650 10 0 DCAERN CCOC(CC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)OCC ZINC000407412415 774261922 /nfs/dbraw/zinc/26/19/22/774261922.db2.gz WIYPJGDAZJULGU-LLVKDONJSA-N 0 0 307.412 0.811 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713949174 941395506 /nfs/dbraw/zinc/39/55/06/941395506.db2.gz OEHSACRCDOOTDC-UHFFFAOYSA-N 0 0 305.306 0.098 10 0 DCAERN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC000696837018 954822482 /nfs/dbraw/zinc/82/24/82/954822482.db2.gz AOJJLHWMOUVDHW-LOWVWBTDSA-N 0 0 305.396 0.375 10 0 DCAERN C[C@@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H](C(=O)[O-])C1 ZINC000690815987 976338431 /nfs/dbraw/zinc/33/84/31/976338431.db2.gz CKNFPMKRTGDXIH-WOPDTQHZSA-N 0 0 304.412 0.453 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000692360927 976434777 /nfs/dbraw/zinc/43/47/77/976434777.db2.gz ZSOLTVQQYQXYOS-XQQFMLRXSA-N 0 0 301.408 0.996 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000181227230 199268034 /nfs/dbraw/zinc/26/80/34/199268034.db2.gz DISNABXPRGOJHC-CYBMUJFWSA-N 0 0 322.409 0.614 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)c(C)o1 ZINC000081782794 192322666 /nfs/dbraw/zinc/32/26/66/192322666.db2.gz MNUNRMBZPJCISG-DTORHVGOSA-N 0 0 316.379 0.746 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2cncc(Br)c2)C1 ZINC000311007361 231117044 /nfs/dbraw/zinc/11/70/44/231117044.db2.gz LANYGAQUUNPKMV-GFCCVEGCSA-N 0 0 314.183 0.656 10 0 DCAERN CCc1[nH]nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C ZINC000153694402 529469799 /nfs/dbraw/zinc/46/97/99/529469799.db2.gz KDOCMYOMWUUFQA-UHFFFAOYSA-N 0 0 314.411 0.891 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CCC2CC2)n1 ZINC000328628575 231260446 /nfs/dbraw/zinc/26/04/46/231260446.db2.gz NXDKSIOHCVLLKP-WDEREUQCSA-N 0 0 301.368 0.616 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCOC[C@H]1C1CC1 ZINC000089972451 185272577 /nfs/dbraw/zinc/27/25/77/185272577.db2.gz ZPWYIIFZPXPKBX-AWEZNQCLSA-N 0 0 301.346 0.967 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000097012698 185396915 /nfs/dbraw/zinc/39/69/15/185396915.db2.gz UZOYHFPTWQAEPR-PWSUYJOCSA-N 0 0 303.384 0.158 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000285313808 282300183 /nfs/dbraw/zinc/30/01/83/282300183.db2.gz HRVUGLBYLJBRTH-GLQYFDAESA-N 0 0 321.425 0.904 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000179126566 529898080 /nfs/dbraw/zinc/89/80/80/529898080.db2.gz TVKWEFJGUMWANN-LBPRGKRZSA-N 0 0 302.338 0.163 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1c(C)noc1C1CC1)C(C)C ZINC000184280165 529895794 /nfs/dbraw/zinc/89/57/94/529895794.db2.gz SXHYDTMBJXZPHY-JTQLQIEISA-N 0 0 322.365 0.686 10 0 DCAERN CNC(=O)[C@H]1CN(c2ccc(C)c(C#N)n2)C[C@@H]1c1cnn(C)c1 ZINC000299742351 529928848 /nfs/dbraw/zinc/92/88/48/529928848.db2.gz HFSPAYAXUNNRHQ-KGLIPLIRSA-N 0 0 324.388 0.961 10 0 DCAERN CNC(=O)c1ccn([C@@H]2CCCN(c3nccc(OC)n3)C2)n1 ZINC000275682678 529952293 /nfs/dbraw/zinc/95/22/93/529952293.db2.gz QJFGSRYBISPFSZ-LLVKDONJSA-N 0 0 316.365 0.883 10 0 DCAERN Cc1ccc(CCC(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000108281870 185506033 /nfs/dbraw/zinc/50/60/33/185506033.db2.gz KDUROAPZADNZBO-UHFFFAOYSA-N 0 0 303.362 0.986 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(C)nc2)C1 ZINC000560894903 288521617 /nfs/dbraw/zinc/52/16/17/288521617.db2.gz IRXQUVKOVFKCQN-UONOGXRCSA-N 0 0 305.378 0.732 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NCCCC(N)=O)[C@H]1c1ccccc1 ZINC000171990954 282616974 /nfs/dbraw/zinc/61/69/74/282616974.db2.gz SUDMTTCFYPBALE-XJKSGUPXSA-N 0 0 317.389 0.978 10 0 DCAERN CC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)OC ZINC000084275759 192419670 /nfs/dbraw/zinc/41/96/70/192419670.db2.gz DRYGMQUVFKVMLK-GFCCVEGCSA-N 0 0 303.322 0.273 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000176768029 282658358 /nfs/dbraw/zinc/65/83/58/282658358.db2.gz MHGPIRIIETXSDM-LBPRGKRZSA-N 0 0 300.318 0.999 10 0 DCAERN O=C(N[C@@H]1COc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000131307597 295807409 /nfs/dbraw/zinc/80/74/09/295807409.db2.gz UDQGWZVYKWQZEE-CMPLNLGQSA-N 0 0 302.334 0.539 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184294429 295809077 /nfs/dbraw/zinc/80/90/77/295809077.db2.gz KQDHDRDHARPJDP-DTWKUNHWSA-N 0 0 303.302 0.758 10 0 DCAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000183829396 186222034 /nfs/dbraw/zinc/22/20/34/186222034.db2.gz VJRIBJVPFBJUMP-INIZCTEOSA-N 0 0 322.336 0.460 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000183896000 186228568 /nfs/dbraw/zinc/22/85/68/186228568.db2.gz GYXUQFXOXYWTDG-MRXNPFEDSA-N 0 0 304.346 0.951 10 0 DCAERN CNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986604 198020776 /nfs/dbraw/zinc/02/07/76/198020776.db2.gz ZSZPHZATEMJAPJ-SWLSCSKDSA-N 0 0 303.362 0.458 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCS1(=O)=O ZINC000172373754 198087518 /nfs/dbraw/zinc/08/75/18/198087518.db2.gz UPXYIWNPYZLIFF-HIFRSBDPSA-N 0 0 324.446 0.805 10 0 DCAERN C[C@H](CNC(=O)Nc1ccc(=O)n(C)c1)CN1CCOCC1 ZINC000172335397 198081089 /nfs/dbraw/zinc/08/10/89/198081089.db2.gz HDYUNGJFTKBEAF-GFCCVEGCSA-N 0 0 308.382 0.475 10 0 DCAERN CN(Cc1nc[nH]n1)C(=O)CN1C(=O)CSc2ccccc21 ZINC000172620665 198126440 /nfs/dbraw/zinc/12/64/40/198126440.db2.gz YVYDXUYWAIKQQK-UHFFFAOYSA-N 0 0 317.374 0.902 10 0 DCAERN CSc1n[nH]c(-n2ccc3c(c(C)nc4ncnn43)c2=O)n1 ZINC000072449405 191170099 /nfs/dbraw/zinc/17/00/99/191170099.db2.gz OUXARXMWBSQYMU-UHFFFAOYSA-N 0 0 314.334 0.577 10 0 DCAERN COCCc1nccc(-c2nnc3nc(COC)nn3c2C)n1 ZINC000072452525 191171522 /nfs/dbraw/zinc/17/15/22/191171522.db2.gz NRZFWBNJWFSZKK-UHFFFAOYSA-N 0 0 315.337 0.620 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000173182093 198192450 /nfs/dbraw/zinc/19/24/50/198192450.db2.gz GFRFYGYXYOQUCQ-SECBINFHSA-N 0 0 321.395 0.942 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000173570531 198229003 /nfs/dbraw/zinc/22/90/03/198229003.db2.gz ZTHGOBHCZUAYPG-GFCCVEGCSA-N 0 0 318.381 0.850 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)C(C)(C)NS(C)(=O)=O)C2)cn1 ZINC000173786838 198252497 /nfs/dbraw/zinc/25/24/97/198252497.db2.gz CRLRHGLVNJTWPG-JTQLQIEISA-N 0 0 314.411 0.064 10 0 DCAERN COCCn1ccc(N[C@H](C)C(=O)N(C)CC(=O)NC2CC2)n1 ZINC000174097734 198291720 /nfs/dbraw/zinc/29/17/20/198291720.db2.gz AXTJZBFQQAAPGL-LLVKDONJSA-N 0 0 323.397 0.067 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174322530 198319820 /nfs/dbraw/zinc/31/98/20/198319820.db2.gz SDIYWYJECFYMCU-UONOGXRCSA-N 0 0 322.405 0.988 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2ccc(C=O)cc2)C[C@H]1C ZINC000174355247 198324271 /nfs/dbraw/zinc/32/42/71/198324271.db2.gz ZJBOGVSWWHWFOM-ZIAGYGMSSA-N 0 0 320.389 0.791 10 0 DCAERN COCCn1nc(C(=O)NCc2ccc(Cl)cn2)ccc1=O ZINC000182134165 199391023 /nfs/dbraw/zinc/39/10/23/199391023.db2.gz VWCPBFOWUNRBLK-UHFFFAOYSA-N 0 0 322.752 0.868 10 0 DCAERN CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991253 198412457 /nfs/dbraw/zinc/41/24/57/198412457.db2.gz OWSIFVSWLGFYKY-VXGBXAGGSA-N 0 0 308.382 0.765 10 0 DCAERN CC(C)(C)OC(=O)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175122558 198430840 /nfs/dbraw/zinc/43/08/40/198430840.db2.gz YXYFGYJFAHNODW-JTQLQIEISA-N 0 0 309.370 0.624 10 0 DCAERN CCOCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175379556 198467808 /nfs/dbraw/zinc/46/78/08/198467808.db2.gz BVAXMMULBHLUQF-GFCCVEGCSA-N 0 0 323.397 0.560 10 0 DCAERN CCCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000302001505 283020076 /nfs/dbraw/zinc/02/00/76/283020076.db2.gz QSQYRWODSFCXLG-OLZOCXBDSA-N 0 0 316.423 0.423 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000287368063 219479621 /nfs/dbraw/zinc/47/96/21/219479621.db2.gz MTBXKZWLQRRRQP-CBAPKCEASA-N 0 0 317.798 0.989 10 0 DCAERN Cc1nc(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)no1 ZINC000080316726 192024263 /nfs/dbraw/zinc/02/42/63/192024263.db2.gz VIZSQAKJSZSUFD-SECBINFHSA-N 0 0 313.321 0.909 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000177540670 198741862 /nfs/dbraw/zinc/74/18/62/198741862.db2.gz CEOAWPZDOXPFRI-LLVKDONJSA-N 0 0 312.391 0.833 10 0 DCAERN O=S(=O)(Cc1nc(-c2ccc(F)cc2)no1)C[C@@H](O)CO ZINC000177673328 198758868 /nfs/dbraw/zinc/75/88/68/198758868.db2.gz RWYJEROUHUJQJE-JTQLQIEISA-N 0 0 316.310 0.144 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000081604730 192300684 /nfs/dbraw/zinc/30/06/84/192300684.db2.gz IAPGSUJHADJVLS-ZDUSSCGKSA-N 0 0 323.393 0.211 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1)[C@H](C)CO ZINC000177812022 198781903 /nfs/dbraw/zinc/78/19/03/198781903.db2.gz XWLKPWGVLORMNZ-VXGBXAGGSA-N 0 0 316.361 0.944 10 0 DCAERN CCC(O)(CC)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000087041252 192616484 /nfs/dbraw/zinc/61/64/84/192616484.db2.gz QMFNQQXFDPXVGK-UHFFFAOYSA-N 0 0 314.407 0.876 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1O ZINC000272242894 209624623 /nfs/dbraw/zinc/62/46/23/209624623.db2.gz NPMGCIPXKFGJPQ-GHMZBOCLSA-N 0 0 309.366 0.204 10 0 DCAERN Cn1cc(S(=O)(=O)NCCCc2ccccn2)cc1C(N)=O ZINC000178910163 198951602 /nfs/dbraw/zinc/95/16/02/198951602.db2.gz ALONRKPWUOAVEO-UHFFFAOYSA-N 0 0 322.390 0.430 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ncnc2nc[nH]c21 ZINC000179253728 199006026 /nfs/dbraw/zinc/00/60/26/199006026.db2.gz GSQAEVZYBRLBLU-GHMZBOCLSA-N 0 0 318.381 0.456 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000179414087 199031305 /nfs/dbraw/zinc/03/13/05/199031305.db2.gz JWLOSCDUTWMSPF-CHWSQXEVSA-N 0 0 306.410 0.745 10 0 DCAERN CC[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC)c2)C[C@@H](C)O1 ZINC000179438270 199035391 /nfs/dbraw/zinc/03/53/91/199035391.db2.gz CVOKWWKXCMYCPP-PWSUYJOCSA-N 0 0 309.370 0.660 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@@H](C)[C@H]2C)cn1 ZINC000179450245 199036999 /nfs/dbraw/zinc/03/69/99/199036999.db2.gz RWIMDNSDCAQEKI-ZJUUUORDSA-N 0 0 311.411 0.987 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC2(O)CCCCCC2)cn1 ZINC000179446153 199037144 /nfs/dbraw/zinc/03/71/44/199037144.db2.gz VMSPBUQDGUCSSS-UHFFFAOYSA-N 0 0 323.397 0.836 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180257880 199137886 /nfs/dbraw/zinc/13/78/86/199137886.db2.gz UNTDEHLBQWTQFG-CMPLNLGQSA-N 0 0 322.365 0.101 10 0 DCAERN CNC(=O)N1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000408376812 283343608 /nfs/dbraw/zinc/34/36/08/283343608.db2.gz YILQCHRKCMMOMG-UHFFFAOYSA-N 0 0 311.411 0.933 10 0 DCAERN CC[C@](C)(O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180572369 199178247 /nfs/dbraw/zinc/17/82/47/199178247.db2.gz BZNJFUSIPOPGEI-HNNXBMFYSA-N 0 0 317.349 0.687 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180614334 199184754 /nfs/dbraw/zinc/18/47/54/199184754.db2.gz OPSLFLUXBHZTMV-JTQLQIEISA-N 0 0 317.415 0.062 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1nnc2n1CCCC2 ZINC000180900065 199225532 /nfs/dbraw/zinc/22/55/32/199225532.db2.gz OYJMJXBSVSRGEZ-UHFFFAOYSA-N 0 0 300.322 0.378 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000408362093 283392166 /nfs/dbraw/zinc/39/21/66/283392166.db2.gz LONGOBGJVUIONG-JHJVBQTASA-N 0 0 306.428 0.747 10 0 DCAERN NC(=O)NC1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000156547811 237051112 /nfs/dbraw/zinc/05/11/12/237051112.db2.gz XARVEAQKLHYRSI-JTQLQIEISA-N 0 0 322.331 0.672 10 0 DCAERN C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1CO ZINC000162941016 237111709 /nfs/dbraw/zinc/11/17/09/237111709.db2.gz OYUXATMMWVAMHA-DZGCQCFKSA-N 0 0 323.437 0.160 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C)n1 ZINC000163680864 237114307 /nfs/dbraw/zinc/11/43/07/237114307.db2.gz GVMMGGBENMYUFZ-PWSUYJOCSA-N 0 0 318.377 0.749 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1C[C@@H]3[C@H](C1)C3(C)C)c2=O ZINC000174059391 237166982 /nfs/dbraw/zinc/16/69/82/237166982.db2.gz ZGXVCHXTEVTZHC-PHIMTYICSA-N 0 0 301.350 0.244 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000173978217 237167414 /nfs/dbraw/zinc/16/74/14/237167414.db2.gz NCYFLZVBTDSZFZ-NXEZZACHSA-N 0 0 316.427 0.481 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000173978206 237167670 /nfs/dbraw/zinc/16/76/70/237167670.db2.gz NCYFLZVBTDSZFZ-AOOOYVTPSA-N 0 0 316.427 0.481 10 0 DCAERN NC(=O)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000174926155 237174871 /nfs/dbraw/zinc/17/48/71/237174871.db2.gz DYJHSJYMHKWBQH-KBPBESRZSA-N 0 0 324.425 0.289 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N[C@H](C)C1CCCC1 ZINC000178532300 237230378 /nfs/dbraw/zinc/23/03/78/237230378.db2.gz UKIGZAJBSOJARL-LLVKDONJSA-N 0 0 306.428 0.637 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N(C)CC1(O)CCOCC1 ZINC000187395828 200106856 /nfs/dbraw/zinc/10/68/56/200106856.db2.gz STPXIHYMPUDSIF-UHFFFAOYSA-N 0 0 322.409 0.831 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CCCC[C@@H]1O ZINC000187421995 237347143 /nfs/dbraw/zinc/34/71/43/237347143.db2.gz NHJSGMIUPITXOH-STQMWFEESA-N 0 0 317.345 0.110 10 0 DCAERN COCc1cccc(CC(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188691771 237379520 /nfs/dbraw/zinc/37/95/20/237379520.db2.gz DVLRHXDQFAEQTP-CQSZACIVSA-N 0 0 306.406 0.901 10 0 DCAERN Cc1cnccc1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000188883508 237380264 /nfs/dbraw/zinc/38/02/64/237380264.db2.gz MCVOWXJABFFZOB-UHFFFAOYSA-N 0 0 312.333 0.150 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189025461 237386564 /nfs/dbraw/zinc/38/65/64/237386564.db2.gz JIOYFMCYANPBOH-SNVBAGLBSA-N 0 0 315.337 0.357 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)c1cccc(-n2cncn2)c1 ZINC000189328518 237397226 /nfs/dbraw/zinc/39/72/26/237397226.db2.gz NHWTYRYMCUBVSS-NEPJUHHUSA-N 0 0 304.350 0.471 10 0 DCAERN O=S(=O)(CCc1cccs1)NC[C@@]1(CCO)CCOC1 ZINC000192026914 237460318 /nfs/dbraw/zinc/46/03/18/237460318.db2.gz BXEGPLGLYXODAX-CYBMUJFWSA-N 0 0 319.448 0.999 10 0 DCAERN CCc1nnc(CN2CCN(c3nccc(OC)n3)CC2)n1C ZINC000195103128 237506092 /nfs/dbraw/zinc/50/60/92/237506092.db2.gz TYAFVTANFLVPHF-UHFFFAOYSA-N 0 0 317.397 0.498 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)c1 ZINC000281145027 216109066 /nfs/dbraw/zinc/10/90/66/216109066.db2.gz FAPSZTSRWAYENE-CZUORRHYSA-N 0 0 320.393 0.335 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCN1CCO ZINC000188721106 200295006 /nfs/dbraw/zinc/29/50/06/200295006.db2.gz OXENEZPRRJHOIY-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN CNC(=O)CCCN(C)C(=O)CNC(=O)c1ccccc1C ZINC000153683491 291208308 /nfs/dbraw/zinc/20/83/08/291208308.db2.gz VHLWHWWGZVWVKS-UHFFFAOYSA-N 0 0 305.378 0.709 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CCN1CCO ZINC000188728195 200295137 /nfs/dbraw/zinc/29/51/37/200295137.db2.gz QYGJOUYLTHYXRU-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)nn1 ZINC000188729178 200296194 /nfs/dbraw/zinc/29/61/94/200296194.db2.gz OSCNIVXYCLSLFO-ZDUSSCGKSA-N 0 0 309.414 0.463 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000154032487 291210339 /nfs/dbraw/zinc/21/03/39/291210339.db2.gz TXDLMNITBSWUEB-NEPJUHHUSA-N 0 0 313.361 0.993 10 0 DCAERN CCOC(=O)CN(CC(N)=O)C(=O)Cc1cccc(CC)c1 ZINC000161652913 291242255 /nfs/dbraw/zinc/24/22/55/291242255.db2.gz GTZUJPQLSQQZGD-UHFFFAOYSA-N 0 0 306.362 0.669 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCCc2cccs2)cn1 ZINC000162912779 291245186 /nfs/dbraw/zinc/24/51/86/291245186.db2.gz OAARJBONHKSWRT-UHFFFAOYSA-N 0 0 319.390 0.902 10 0 DCAERN CCCN(CC(F)F)C(=O)C(=O)Nc1cnc(N(C)C)nc1 ZINC000163876796 291246842 /nfs/dbraw/zinc/24/68/42/291246842.db2.gz SWFYKAXASHLKLJ-UHFFFAOYSA-N 0 0 315.324 0.985 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000299905934 291251348 /nfs/dbraw/zinc/25/13/48/291251348.db2.gz NRCUQUNRVDCJNW-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000299905936 291251358 /nfs/dbraw/zinc/25/13/58/291251358.db2.gz NRCUQUNRVDCJNW-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(Cc2nnnn2Cc2ccccc2)C1 ZINC000309875086 291251988 /nfs/dbraw/zinc/25/19/88/291251988.db2.gz SVSRXHGRFKCPOF-KBPBESRZSA-N 0 0 303.366 0.303 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000281485698 216333553 /nfs/dbraw/zinc/33/35/53/216333553.db2.gz JFIPHSZUCICDNW-OLZOCXBDSA-N 0 0 319.409 0.801 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NC1CCCCC1 ZINC000126791843 291302278 /nfs/dbraw/zinc/30/22/78/291302278.db2.gz OAJVIZKRSLBQDN-RYUDHWBXSA-N 0 0 302.440 0.943 10 0 DCAERN CCc1ccc(OCC(=O)NC(=S)NNC(N)=S)cc1 ZINC000006604430 181360142 /nfs/dbraw/zinc/36/01/42/181360142.db2.gz BDOGMKNWZIZROB-UHFFFAOYSA-N 0 0 312.420 0.367 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408456619 291327986 /nfs/dbraw/zinc/32/79/86/291327986.db2.gz JXONCCXFQZJWTD-SRVKXCTJSA-N 0 0 305.396 0.911 10 0 DCAERN Cn1cc(CNC(=O)Nc2ncnn2C)c(C(F)(F)F)n1 ZINC000091182890 193013933 /nfs/dbraw/zinc/01/39/33/193013933.db2.gz HADDOXLJGSHWPU-UHFFFAOYSA-N 0 0 303.248 0.889 10 0 DCAERN Cc1cccc(OCCC(=O)N2CCOC[C@H]2C(N)=O)c1C ZINC000091779062 193105804 /nfs/dbraw/zinc/10/58/04/193105804.db2.gz VXMSDVXZIITPKW-ZDUSSCGKSA-N 0 0 306.362 0.785 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000091782222 193107135 /nfs/dbraw/zinc/10/71/35/193107135.db2.gz HMRGJCFZRSQIMU-LLVKDONJSA-N 0 0 316.329 0.770 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784746 193107760 /nfs/dbraw/zinc/10/77/60/193107760.db2.gz LKHAQAMVBZRAAX-STRFDMGBSA-N 0 0 304.346 0.811 10 0 DCAERN CC[C@H](NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C)c[nH]1 ZINC000091931698 193128056 /nfs/dbraw/zinc/12/80/56/193128056.db2.gz HEFFWJOYYSHSFR-LBPRGKRZSA-N 0 0 307.398 0.483 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccncc2F)CC12COC2 ZINC000455029683 240824517 /nfs/dbraw/zinc/82/45/17/240824517.db2.gz AFWFUFHRXIPYQN-SNVBAGLBSA-N 0 0 323.324 0.686 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000457471440 241007494 /nfs/dbraw/zinc/00/74/94/241007494.db2.gz BGBCOWYJUKFEIW-JSGCOSHPSA-N 0 0 303.366 0.742 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000367038584 294288784 /nfs/dbraw/zinc/28/87/84/294288784.db2.gz ZRQDNAJFAXXOIC-FDYHWXHSSA-N 0 0 307.412 0.619 10 0 DCAERN O=C(NCCNC(=O)C1CC1)NC[C@H]1CCc2nccn2C1 ZINC000275264353 212233121 /nfs/dbraw/zinc/23/31/21/212233121.db2.gz BSUQEFMFMKZOSI-LLVKDONJSA-N 0 0 305.382 0.271 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC(=O)N1 ZINC000408205119 297326228 /nfs/dbraw/zinc/32/62/28/297326228.db2.gz XJNFDEIDUPXZDB-PKIKSRDPSA-N 0 0 308.300 0.815 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@H](C)C2)o1 ZINC000275231843 212212815 /nfs/dbraw/zinc/21/28/15/212212815.db2.gz JNSRXMUXPNJZFM-MRVPVSSYSA-N 0 0 300.336 0.239 10 0 DCAERN COc1ccc(-c2noc(CN3CCOC[C@H]3C(N)=O)n2)cc1 ZINC000092228849 193176435 /nfs/dbraw/zinc/17/64/35/193176435.db2.gz JNCRDTRLZRQDMZ-LBPRGKRZSA-N 0 0 318.333 0.431 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000092229981 193177448 /nfs/dbraw/zinc/17/74/48/193177448.db2.gz SSPJVBXSUWDACD-BXUZGUMPSA-N 0 0 319.361 0.094 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1C ZINC000368240860 284043197 /nfs/dbraw/zinc/04/31/97/284043197.db2.gz DVNTYZVVOXLZMU-PDWCTOEPSA-N 0 0 311.378 0.696 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CC[C@](O)(C(F)(F)F)C2)c(=O)n1 ZINC000275165749 212165181 /nfs/dbraw/zinc/16/51/81/212165181.db2.gz VLBQHNJRZQUBQQ-GFCCVEGCSA-N 0 0 319.283 0.386 10 0 DCAERN CCC[C@]1(NS(=O)(=O)N(C)CCC(=O)OC)CCOC1 ZINC000352331712 284092363 /nfs/dbraw/zinc/09/23/63/284092363.db2.gz RPOPITHPJHHMBK-LBPRGKRZSA-N 0 0 308.400 0.275 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)C[C@@H](C)O1 ZINC000221248374 261151914 /nfs/dbraw/zinc/15/19/14/261151914.db2.gz YNSWNQJQRZFOAM-VXGBXAGGSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@H](c1cccnc1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234532 193219823 /nfs/dbraw/zinc/21/98/23/193219823.db2.gz VNDNWSWYVFZGGD-OCCSQVGLSA-N 0 0 304.394 0.798 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000569433860 291478662 /nfs/dbraw/zinc/47/86/62/291478662.db2.gz OGYGQWHQUMGYGC-UHFFFAOYSA-N 0 0 315.337 0.611 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCO[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094178792 193347215 /nfs/dbraw/zinc/34/72/15/193347215.db2.gz KINIUHVKZOTUCE-KWBADKCTSA-N 0 0 312.391 0.936 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094178790 193347502 /nfs/dbraw/zinc/34/75/02/193347502.db2.gz KINIUHVKZOTUCE-OUJBWJOFSA-N 0 0 312.391 0.936 10 0 DCAERN O=C([C@H]1Cc2ccccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000172761697 296154392 /nfs/dbraw/zinc/15/43/92/296154392.db2.gz YEEHQFFWAWOGQV-GOEBONIOSA-N 0 0 302.374 0.923 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C[C@H]1CCCC(=O)N1 ZINC000366020694 284203488 /nfs/dbraw/zinc/20/34/88/284203488.db2.gz WKCQTSZQLNPKRN-BLTAXRJOSA-N 0 0 308.378 0.845 10 0 DCAERN Cc1csc(C2(NC(=O)CN(C)S(C)(=O)=O)CCC2)n1 ZINC000265209546 204454319 /nfs/dbraw/zinc/45/43/19/204454319.db2.gz AQWFOLDOLGFHOX-UHFFFAOYSA-N 0 0 317.436 0.838 10 0 DCAERN CC(=O)N1CCN(CCNc2nccnc2OC(F)F)CC1 ZINC000288239653 220036949 /nfs/dbraw/zinc/03/69/49/220036949.db2.gz WXDBFIJKNYHHOQ-UHFFFAOYSA-N 0 0 315.324 0.654 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1C ZINC000282532624 217067932 /nfs/dbraw/zinc/06/79/32/217067932.db2.gz YYPPYUUCEPWIDE-MLGOLLRUSA-N 0 0 319.409 0.152 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1C ZINC000282532620 217068478 /nfs/dbraw/zinc/06/84/78/217068478.db2.gz YYPPYUUCEPWIDE-LRDDRELGSA-N 0 0 319.409 0.152 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000282709558 217193547 /nfs/dbraw/zinc/19/35/47/217193547.db2.gz YLLVWEVCNMTDNC-RNFRBKRXSA-N 0 0 306.775 0.019 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCC[C@](O)(C(N)=O)C2)c(F)c1 ZINC000288348087 220099144 /nfs/dbraw/zinc/09/91/44/220099144.db2.gz GEIYALRLBDLJJD-CYBMUJFWSA-N 0 0 316.354 0.046 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CSC1(C)C ZINC000282807121 217263873 /nfs/dbraw/zinc/26/38/73/217263873.db2.gz ZTNYEMVJQNWIDV-QMMMGPOBSA-N 0 0 319.408 0.759 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCN(c2ccc(F)cn2)CC1 ZINC000408271619 284463897 /nfs/dbraw/zinc/46/38/97/284463897.db2.gz QAYXIBXMQRWOOM-ZDUSSCGKSA-N 0 0 320.368 0.928 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O ZINC000408171189 284526985 /nfs/dbraw/zinc/52/69/85/284526985.db2.gz YGNNROOQAOPLHU-UONOGXRCSA-N 0 0 309.410 0.857 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1(C)C ZINC000573312650 291623495 /nfs/dbraw/zinc/62/34/95/291623495.db2.gz MNYOYJZKSZPYSO-IIYDPXPESA-N 0 0 324.421 0.944 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cn1 ZINC000189779895 335035552 /nfs/dbraw/zinc/03/55/52/335035552.db2.gz HAIXGFITLUGIJE-LDYMZIIASA-N 0 0 305.338 0.781 10 0 DCAERN CC[C@@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)[C@H]1CCCO1 ZINC000573362937 291627467 /nfs/dbraw/zinc/62/74/67/291627467.db2.gz BZVGJGAWGAEVMF-CHWSQXEVSA-N 0 0 310.394 0.699 10 0 DCAERN CS(=O)(=O)c1ccccc1NC1CCN(CC(N)=O)CC1 ZINC000037980079 182950942 /nfs/dbraw/zinc/95/09/42/182950942.db2.gz DEWJSTDQCBBWPO-UHFFFAOYSA-N 0 0 311.407 0.452 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(C)(C(N)=O)C1 ZINC000574160769 291677541 /nfs/dbraw/zinc/67/75/41/291677541.db2.gz LEFKJDONFCMDBM-AWEZNQCLSA-N 0 0 315.373 0.294 10 0 DCAERN Cc1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N1CCOCC1 ZINC000041248424 183181506 /nfs/dbraw/zinc/18/15/06/183181506.db2.gz XOXUHISAPNBEGD-LBPRGKRZSA-N 0 0 312.391 0.521 10 0 DCAERN CC(C)(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278581 183248774 /nfs/dbraw/zinc/24/87/74/183248774.db2.gz BTQNDHUSIKKPDN-UHFFFAOYSA-N 0 0 310.372 0.550 10 0 DCAERN COCCNC(=O)CN(C)c1ncc(Br)cc1N ZINC000042428105 183269429 /nfs/dbraw/zinc/26/94/29/183269429.db2.gz JQVGIFXQVZHFPX-UHFFFAOYSA-N 0 0 317.187 0.625 10 0 DCAERN C[C@H](CN(C)S(=O)(=O)CCc1ccccn1)C(N)=S ZINC000042457167 183272668 /nfs/dbraw/zinc/27/26/68/183272668.db2.gz ZRESOMHYJGRTAL-SNVBAGLBSA-N 0 0 301.437 0.808 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCNC(=O)CC2)c1C ZINC000103470635 193933248 /nfs/dbraw/zinc/93/32/48/193933248.db2.gz UOFDCNKDYYUQEZ-UHFFFAOYSA-N 0 0 321.377 0.813 10 0 DCAERN CN(CC(F)F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000103594578 193946111 /nfs/dbraw/zinc/94/61/11/193946111.db2.gz SGXRDAVRSNQUAD-UHFFFAOYSA-N 0 0 307.322 0.741 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCS(=O)(=O)CC(C)C ZINC000104360031 194001742 /nfs/dbraw/zinc/00/17/42/194001742.db2.gz MOCPTTYHFYACSO-NSHDSACASA-N 0 0 304.412 0.184 10 0 DCAERN COc1ccccc1CCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104776949 194037979 /nfs/dbraw/zinc/03/79/79/194037979.db2.gz QEOLJNBUPGMFBD-CQSZACIVSA-N 0 0 307.394 0.868 10 0 DCAERN O=C(CNC(=O)N1CCNC(=O)CC1)N1CCc2ccccc21 ZINC000105225206 194086688 /nfs/dbraw/zinc/08/66/88/194086688.db2.gz PYFDAUIDOGJXCS-UHFFFAOYSA-N 0 0 316.361 0.107 10 0 DCAERN Cn1nnc2ccc(-c3nc([C@@H]4CN5CCN4CC5)no3)cc21 ZINC000273866743 211127147 /nfs/dbraw/zinc/12/71/47/211127147.db2.gz CMESSHHDZZBTAP-ZDUSSCGKSA-N 0 0 311.349 0.691 10 0 DCAERN O=c1[nH]c2cccc(-c3nc([C@H]4CN5CCN4CC5)no3)c2o1 ZINC000273860725 211119855 /nfs/dbraw/zinc/11/98/55/211119855.db2.gz CDESFJDGTHFFFX-LLVKDONJSA-N 0 0 313.317 0.843 10 0 DCAERN O=C(c1cn[nH]n1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817496 194136238 /nfs/dbraw/zinc/13/62/38/194136238.db2.gz HAMCMFDLSNZPRA-AWEZNQCLSA-N 0 0 301.350 0.296 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCCN(c2cccnn2)CC1 ZINC000105810952 194135069 /nfs/dbraw/zinc/13/50/69/194135069.db2.gz UOYRIJWMJYEQGP-UHFFFAOYSA-N 0 0 317.393 0.528 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000105834480 194143146 /nfs/dbraw/zinc/14/31/46/194143146.db2.gz SHVFLWYERMFXLN-OLZOCXBDSA-N 0 0 314.430 0.263 10 0 DCAERN CCCNC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868453 194151761 /nfs/dbraw/zinc/15/17/61/194151761.db2.gz UGIKXXCKBYEICZ-ZDUSSCGKSA-N 0 0 321.425 0.912 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105898021 194162448 /nfs/dbraw/zinc/16/24/48/194162448.db2.gz ZQESIHFHSUEKRX-GFCCVEGCSA-N 0 0 308.386 0.397 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000106403410 194208082 /nfs/dbraw/zinc/20/80/82/194208082.db2.gz FRGYOALINMTEBJ-OAHLLOKOSA-N 0 0 319.405 0.332 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1cccc(C)c1 ZINC000106780623 194251392 /nfs/dbraw/zinc/25/13/92/194251392.db2.gz XTCVRCFPBHSWST-KBPBESRZSA-N 0 0 318.373 0.579 10 0 DCAERN O=C(c1occc1Br)N1CCN2C(=O)N=NC2C1 ZINC000408225988 296310253 /nfs/dbraw/zinc/31/02/53/296310253.db2.gz YSRTZRNDXLDLMZ-UHFFFAOYSA-N 0 0 313.111 0.995 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082757 194390459 /nfs/dbraw/zinc/39/04/59/194390459.db2.gz KGIMUJWTMKCISE-KGLIPLIRSA-N 0 0 311.382 0.552 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1C ZINC000058082467 184073608 /nfs/dbraw/zinc/07/36/08/184073608.db2.gz IIZKRHVNTWEVJP-CQSZACIVSA-N 0 0 317.389 0.757 10 0 DCAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000059106639 184134155 /nfs/dbraw/zinc/13/41/55/184134155.db2.gz ADTABJGKQPDFBM-UWVGGRQHSA-N 0 0 317.386 0.598 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@@H]1C(N)=S ZINC000061886568 184191810 /nfs/dbraw/zinc/19/18/10/184191810.db2.gz PQKVZGZFOLSSIH-IUCAKERBSA-N 0 0 308.425 0.314 10 0 DCAERN NC(=S)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000061886686 184192147 /nfs/dbraw/zinc/19/21/47/184192147.db2.gz YBYFXUCAXHUPLC-ZJUUUORDSA-N 0 0 303.384 0.954 10 0 DCAERN CN(Cc1ccc([C@@H]2CC(=O)Nc3n[nH]cc32)o1)S(C)(=O)=O ZINC000065374659 184331417 /nfs/dbraw/zinc/33/14/17/184331417.db2.gz MDUGTVGSVVULOD-SECBINFHSA-N 0 0 324.362 0.868 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)c1cccc(OC)c1O ZINC000269901510 284986123 /nfs/dbraw/zinc/98/61/23/284986123.db2.gz ZDZMXTWBYDURSR-UHFFFAOYSA-N 0 0 301.364 0.908 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000072045376 252584765 /nfs/dbraw/zinc/58/47/65/252584765.db2.gz OVZCWHMXWZXTMU-HBNTYKKESA-N 0 0 309.366 0.817 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000184998348 532969324 /nfs/dbraw/zinc/96/93/24/532969324.db2.gz GTYNQERIYDWFTP-QWHCGFSZSA-N 0 0 305.444 0.368 10 0 DCAERN Cc1nc(CNC(=O)NCC(=O)Nc2cccc(F)c2)no1 ZINC000173556823 252595743 /nfs/dbraw/zinc/59/57/43/252595743.db2.gz BBRSZMQNDXVYLZ-UHFFFAOYSA-N 0 0 307.285 0.955 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000265830224 252619367 /nfs/dbraw/zinc/61/93/67/252619367.db2.gz WGODZARZIZRXGJ-AOOOYVTPSA-N 0 0 316.379 0.779 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@](O)(CO)C2)C1 ZINC000313651164 252642789 /nfs/dbraw/zinc/64/27/89/252642789.db2.gz BEAMIORZFKSDEQ-FRRDWIJNSA-N 0 0 306.428 0.028 10 0 DCAERN O=S(=O)(c1ccccc1Cl)N1CCC[C@@](O)(CO)C1 ZINC000313652505 252643066 /nfs/dbraw/zinc/64/30/66/252643066.db2.gz TUQQGLOKKGCZHH-LBPRGKRZSA-N 0 0 305.783 0.848 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CSCC(=O)N1CCCCC1 ZINC000333061287 252675019 /nfs/dbraw/zinc/67/50/19/252675019.db2.gz IPAMZVDZOIULGJ-UHFFFAOYSA-N 0 0 314.451 0.961 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000337793232 252894266 /nfs/dbraw/zinc/89/42/66/252894266.db2.gz BXTTZTYJATZGDF-YPMHNXCESA-N 0 0 309.410 0.808 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@@H](O)C[C@H]2c2nc(C)no2)n1 ZINC000339199584 253039018 /nfs/dbraw/zinc/03/90/18/253039018.db2.gz CBRNJBWRHZMSRJ-QWRGUYRKSA-N 0 0 305.338 0.744 10 0 DCAERN CC(=O)N1CCC(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000339741799 253136624 /nfs/dbraw/zinc/13/66/24/253136624.db2.gz AAYCVOLEBVEGOL-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CCC(NC(=O)C(=O)NCC2CCCCC2)CC1 ZINC000339742004 253136717 /nfs/dbraw/zinc/13/67/17/253136717.db2.gz GXFPVYDBPVJXMZ-UHFFFAOYSA-N 0 0 309.410 0.810 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000120209191 195119988 /nfs/dbraw/zinc/11/99/88/195119988.db2.gz IRNLCKNYQDUZSY-QWHCGFSZSA-N 0 0 304.456 0.904 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000340880217 253316984 /nfs/dbraw/zinc/31/69/84/253316984.db2.gz IWJFWDOVEKPGIX-AWEZNQCLSA-N 0 0 309.410 0.905 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000341145831 253349931 /nfs/dbraw/zinc/34/99/31/253349931.db2.gz SAVOLTGVAKETDA-NEPJUHHUSA-N 0 0 311.382 0.590 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000286533210 219039682 /nfs/dbraw/zinc/03/96/82/219039682.db2.gz VYWPCACQUIPPHK-STQMWFEESA-N 0 0 305.382 0.372 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1CCC(=O)NC1=O ZINC000272882909 210272477 /nfs/dbraw/zinc/27/24/77/210272477.db2.gz XBPDIQYWNMGRJR-LLVKDONJSA-N 0 0 303.318 0.938 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2cccc3c2OCO3)C1 ZINC000345481940 253931349 /nfs/dbraw/zinc/93/13/49/253931349.db2.gz DKYAKWLOOYXKKD-QWHCGFSZSA-N 0 0 307.346 0.956 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000345495137 253932852 /nfs/dbraw/zinc/93/28/52/253932852.db2.gz ZCQQAFHFZJHVTO-UONOGXRCSA-N 0 0 321.373 0.999 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2cn(Cc3ccccc3)nn2)N(C)C1 ZINC000346440230 254052483 /nfs/dbraw/zinc/05/24/83/254052483.db2.gz UOGMTYVKFBUXQJ-KBPBESRZSA-N 0 0 315.377 0.984 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000347458514 254158980 /nfs/dbraw/zinc/15/89/80/254158980.db2.gz YWNAMVOLUZGPDJ-SSDOTTSWSA-N 0 0 304.393 0.801 10 0 DCAERN C[C@H](SC[C@@H](O)CO)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177414860 220453868 /nfs/dbraw/zinc/45/38/68/220453868.db2.gz LRRBFFOSSOUKRI-ZFWWWQNUSA-N 0 0 324.446 0.810 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000347243734 254141841 /nfs/dbraw/zinc/14/18/41/254141841.db2.gz CLZILSHCJIGMHF-ONGXEEELSA-N 0 0 308.313 0.303 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nncn2C)C1 ZINC000162693568 296394514 /nfs/dbraw/zinc/39/45/14/296394514.db2.gz HOOOXXKMIFPVHR-VXGBXAGGSA-N 0 0 313.427 0.929 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000042746931 296396117 /nfs/dbraw/zinc/39/61/17/296396117.db2.gz AKSJQPSJTAFFBQ-GRYCIOLGSA-N 0 0 303.428 0.549 10 0 DCAERN Cc1nc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)cn1C ZINC000349974314 254307081 /nfs/dbraw/zinc/30/70/81/254307081.db2.gz MHDUEDGLAAQHRA-ZETCQYMHSA-N 0 0 301.290 0.320 10 0 DCAERN C[C@@H](CNC(=O)CSc1ccc(F)c(F)c1)S(N)(=O)=O ZINC000350615393 254318971 /nfs/dbraw/zinc/31/89/71/254318971.db2.gz FFORBMQMTGZWEB-ZETCQYMHSA-N 0 0 324.374 0.850 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350627778 254321245 /nfs/dbraw/zinc/32/12/45/254321245.db2.gz FUVUTFFNDUGNDL-RKDXNWHRSA-N 0 0 320.798 0.901 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350628868 254321415 /nfs/dbraw/zinc/32/14/15/254321415.db2.gz KLJZJOSNWILGSY-JTQLQIEISA-N 0 0 300.380 0.882 10 0 DCAERN C[C@H](CNC(=O)c1ccc(Br)cn1)S(N)(=O)=O ZINC000350629918 254321730 /nfs/dbraw/zinc/32/17/30/254321730.db2.gz UIIKXMGKOYJICT-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000351870301 254376529 /nfs/dbraw/zinc/37/65/29/254376529.db2.gz LTZNOMQZEDCFTP-QJPTWQEYSA-N 0 0 304.412 0.030 10 0 DCAERN C[C@]12CCN(C(=O)Cn3cnc4c3ncnc4N)C[C@H]1C2(F)F ZINC000294815101 224239982 /nfs/dbraw/zinc/23/99/82/224239982.db2.gz VCTXICOKMYWGJM-OQPBUACISA-N 0 0 322.319 0.912 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2C[C@H](OC)CN2C)CC(C)(C)O1 ZINC000408031967 285293386 /nfs/dbraw/zinc/29/33/86/285293386.db2.gz QXBXASTYILSSFJ-AVGNSLFASA-N 0 0 300.399 0.358 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)c3ccnnc3)CC[C@@H]2S1(=O)=O ZINC000249692816 257107223 /nfs/dbraw/zinc/10/72/23/257107223.db2.gz NFLVWLWPQJINHA-STQMWFEESA-N 0 0 324.406 0.363 10 0 DCAERN COCCNC(=O)[C@H]1CN(c2ncccn2)Cc2ncn(C)c21 ZINC000248029375 257111007 /nfs/dbraw/zinc/11/10/07/257111007.db2.gz KOPHQWOJBBYGOG-NSHDSACASA-N 0 0 316.365 0.077 10 0 DCAERN Cc1noc(C[C@@H]2CO[C@H]3CN(C(=O)c4cnccn4)C[C@H]32)n1 ZINC000247987667 257111903 /nfs/dbraw/zinc/11/19/03/257111903.db2.gz ZZPLXTAVKLBUML-MDZLAQPJSA-N 0 0 315.333 0.498 10 0 DCAERN Cn1cncc1C(=O)N1C[C@H]2CCN(c3cnccn3)C[C@H]2C1 ZINC000248011603 257112151 /nfs/dbraw/zinc/11/21/51/257112151.db2.gz DXAPDGUQGYCOOF-OLZOCXBDSA-N 0 0 312.377 0.809 10 0 DCAERN CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(c3ncccn3)C[C@@H]12 ZINC000247971500 257113606 /nfs/dbraw/zinc/11/36/06/257113606.db2.gz YPBYQTMEEGJPKW-OLZOCXBDSA-N 0 0 315.377 0.040 10 0 DCAERN O=C(c1cc(C2CC2)on1)N1CC[C@@H]2C(=O)NCCO[C@@H]2C1 ZINC000247967918 257113620 /nfs/dbraw/zinc/11/36/20/257113620.db2.gz ZXFSBFWVAFKNDC-GXFFZTMASA-N 0 0 305.334 0.529 10 0 DCAERN CN(C)C(=O)CO[C@@H]1CN(Cc2nccs2)[C@H]2COC[C@H]21 ZINC000247944039 257114108 /nfs/dbraw/zinc/11/41/08/257114108.db2.gz APMBVRZNJJGDGT-GRYCIOLGSA-N 0 0 311.407 0.447 10 0 DCAERN O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CCN2c1nncs1 ZINC000247805884 257118507 /nfs/dbraw/zinc/11/85/07/257118507.db2.gz AZTXUHNQIACMAO-WDEREUQCSA-N 0 0 302.363 0.822 10 0 DCAERN CCN1CCN([C@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964553 285337356 /nfs/dbraw/zinc/33/73/56/285337356.db2.gz UNKXGWMOCDMSRX-UONOGXRCSA-N 0 0 303.410 0.852 10 0 DCAERN CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000074413605 184983991 /nfs/dbraw/zinc/98/39/91/184983991.db2.gz HHUCPBRQQMSDTR-CHWSQXEVSA-N 0 0 309.414 0.849 10 0 DCAERN COc1ccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nn1 ZINC000299742376 533573444 /nfs/dbraw/zinc/57/34/44/533573444.db2.gz HLDGUXKYTNIHGH-YPMHNXCESA-N 0 0 324.356 0.256 10 0 DCAERN O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000274204427 130215889 /nfs/dbraw/zinc/21/58/89/130215889.db2.gz LZASRQAUGICZDD-LBPRGKRZSA-N 0 0 317.393 0.896 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CC3(C)C)C2)c1=O ZINC000275533287 130329605 /nfs/dbraw/zinc/32/96/05/130329605.db2.gz DWVPZEQCENQICI-VXGBXAGGSA-N 0 0 304.394 0.911 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000275825357 130392328 /nfs/dbraw/zinc/39/23/28/130392328.db2.gz FNPYNHIFOFGJLE-MRXNPFEDSA-N 0 0 322.361 0.270 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000038110117 685057847 /nfs/dbraw/zinc/05/78/47/685057847.db2.gz JLUDUPOHZXUVKO-VIFPVBQESA-N 0 0 320.802 0.363 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cn3ccsc3n2)CC(=O)N1C ZINC000282184495 130905316 /nfs/dbraw/zinc/90/53/16/130905316.db2.gz LZDRSQAFXUQZSB-SECBINFHSA-N 0 0 307.379 0.768 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958016 131036096 /nfs/dbraw/zinc/03/60/96/131036096.db2.gz GIHKTYVWNFEMRD-NEPJUHHUSA-N 0 0 323.418 0.409 10 0 DCAERN C[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000284238977 131062124 /nfs/dbraw/zinc/06/21/24/131062124.db2.gz FMSAPTRRLNUHPN-HIFRSBDPSA-N 0 0 322.409 0.116 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cccc(F)c2)C1 ZINC000284340592 131071777 /nfs/dbraw/zinc/07/17/77/131071777.db2.gz BBPJCGHKOGABSJ-ONGXEEELSA-N 0 0 302.327 0.089 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ccc3nnc(C(C)(C)C)n3n2)C1 ZINC000284470588 131083802 /nfs/dbraw/zinc/08/38/02/131083802.db2.gz IDVWFGFQEFVWCG-UWVGGRQHSA-N 0 0 318.381 0.501 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCSCC3)ncn2)C[C@H]1C(N)=O ZINC000284572798 131092852 /nfs/dbraw/zinc/09/28/52/131092852.db2.gz IUTDRCKJSWPUHM-GHMZBOCLSA-N 0 0 307.423 0.587 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCCOc2cccc(F)c2)C1 ZINC000284625789 131097569 /nfs/dbraw/zinc/09/75/69/131097569.db2.gz DKUQKSMGVYVCES-MRXNPFEDSA-N 0 0 324.352 0.694 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2ccc(Br)cn2)C1 ZINC000284645651 131099678 /nfs/dbraw/zinc/09/96/78/131099678.db2.gz OJCCDKXRRDENQB-NSHDSACASA-N 0 0 300.156 0.661 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN3C(=O)OC[C@@H]3C2)[nH]1 ZINC000366635929 131108865 /nfs/dbraw/zinc/10/88/65/131108865.db2.gz RRHCUZHONOWCCK-VIFPVBQESA-N 0 0 301.306 0.543 10 0 DCAERN CNC(=O)c1cccc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000284791819 131112178 /nfs/dbraw/zinc/11/21/78/131112178.db2.gz ZDPLCNPHHJQHGP-GJZGRUSLSA-N 0 0 319.405 0.837 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000284892419 131120505 /nfs/dbraw/zinc/12/05/05/131120505.db2.gz HEJIYDYNMOVLGL-ZJUUUORDSA-N 0 0 304.318 0.721 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000284962835 131126584 /nfs/dbraw/zinc/12/65/84/131126584.db2.gz JOEOCLIIBIDHES-CJNGLKHVSA-N 0 0 319.405 0.528 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)cc1 ZINC000285161343 131143461 /nfs/dbraw/zinc/14/34/61/131143461.db2.gz LPBAMCSDZMGKAC-DOMZBBRYSA-N 0 0 305.378 0.186 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@]1(O)CCSC1)N1CCOCC1 ZINC000121385453 132155422 /nfs/dbraw/zinc/15/54/22/132155422.db2.gz ZMOMJHNKLFXSDZ-HIFRSBDPSA-N 0 0 316.467 0.718 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000113117529 132181698 /nfs/dbraw/zinc/18/16/98/132181698.db2.gz QHZVRKXHJVOQLG-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccncn1 ZINC000012718390 395688063 /nfs/dbraw/zinc/68/80/63/395688063.db2.gz VBMNEODZBIYRRZ-CQSZACIVSA-N 0 0 319.409 0.282 10 0 DCAERN COCCN(CC(C)C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000025671053 395693717 /nfs/dbraw/zinc/69/37/17/395693717.db2.gz ORVRDDQGUYSDEQ-UHFFFAOYSA-N 0 0 321.381 0.261 10 0 DCAERN Cc1ccc(C(=O)NCC[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684678 395701370 /nfs/dbraw/zinc/70/13/70/395701370.db2.gz ISRLJXNRLFRUEP-GFCCVEGCSA-N 0 0 312.391 0.941 10 0 DCAERN O=c1[nH]c(=O)n(CCC2CC2)cc1I ZINC000086788569 395705056 /nfs/dbraw/zinc/70/50/56/395705056.db2.gz SPFJOKCTKKCILC-UHFFFAOYSA-N 0 0 306.103 0.941 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)C(C)C ZINC000087033289 395705493 /nfs/dbraw/zinc/70/54/93/395705493.db2.gz JDPASSRWTFJHFZ-NSHDSACASA-N 0 0 322.413 0.747 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cncc(Br)c1 ZINC000089753055 395714482 /nfs/dbraw/zinc/71/44/82/395714482.db2.gz AQRKRIAXCQOCGR-QMMMGPOBSA-N 0 0 312.123 0.379 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000089781304 395714893 /nfs/dbraw/zinc/71/48/93/395714893.db2.gz NGIAHYWUYNNRCR-CYBMUJFWSA-N 0 0 310.375 0.585 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000037896350 395729804 /nfs/dbraw/zinc/72/98/04/395729804.db2.gz GQMHVWUBCHPLTJ-CYBMUJFWSA-N 0 0 318.439 0.422 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1c[nH]nc1C ZINC000038011615 395730216 /nfs/dbraw/zinc/73/02/16/395730216.db2.gz BXVMCEOFSZOKFE-LBPRGKRZSA-N 0 0 314.411 0.539 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000092412519 395731066 /nfs/dbraw/zinc/73/10/66/395731066.db2.gz SNSYFPMSJVMMAP-STQMWFEESA-N 0 0 319.409 0.616 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093925390 395739401 /nfs/dbraw/zinc/73/94/01/395739401.db2.gz UOYFOCRLCFHQBI-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN O[C@H](CNc1ccc(OC(F)F)cn1)CN1CCOCC1 ZINC000094132236 395740046 /nfs/dbraw/zinc/74/00/46/395740046.db2.gz VSPUKTNTKKCZFO-SNVBAGLBSA-N 0 0 303.309 0.788 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@@H]1O ZINC000093050813 395735735 /nfs/dbraw/zinc/73/57/35/395735735.db2.gz WVOYIGNZULUNGW-CBAPKCEASA-N 0 0 305.787 0.709 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1nnc2n1CCCC2 ZINC000041140973 395736030 /nfs/dbraw/zinc/73/60/30/395736030.db2.gz PGCLCHSIGSTNJQ-SNVBAGLBSA-N 0 0 317.349 0.642 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cc1F ZINC000041600982 395738666 /nfs/dbraw/zinc/73/86/66/395738666.db2.gz QGVNELUEBKBWOI-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN NC(=O)CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000043112522 395752173 /nfs/dbraw/zinc/75/21/73/395752173.db2.gz XFGLQNZXIFWNRK-UHFFFAOYSA-N 0 0 318.421 0.186 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCNc1cccc(F)c1 ZINC000193803472 395779588 /nfs/dbraw/zinc/77/95/88/395779588.db2.gz ILSUFJBBLBMPOI-HUUCEWRRSA-N 0 0 323.368 0.726 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(Cc3nncn3C)CC2)n1 ZINC000105865495 395780944 /nfs/dbraw/zinc/78/09/44/395780944.db2.gz RQKYUJNHSVNSFO-LLVKDONJSA-N 0 0 305.386 0.639 10 0 DCAERN OC[C@@H]1O[C@@H](OCCCCC2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106382340 395782476 /nfs/dbraw/zinc/78/24/76/395782476.db2.gz PZPARHKVNAJBDB-CQJMVSDSSA-N 0 0 318.410 0.554 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCc1nnc2n1CCCC2)C(C)C ZINC000108259446 395786994 /nfs/dbraw/zinc/78/69/94/395786994.db2.gz ONFDQHHAEQDPOU-GFCCVEGCSA-N 0 0 309.370 0.611 10 0 DCAERN Cc1noc(CO[C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000097942537 395761357 /nfs/dbraw/zinc/76/13/57/395761357.db2.gz IMGRUYZXGDNTKB-NSHDSACASA-N 0 0 303.322 0.989 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000045143038 395761645 /nfs/dbraw/zinc/76/16/45/395761645.db2.gz SQGJKMSISGUXSE-ZDUSSCGKSA-N 0 0 319.409 0.581 10 0 DCAERN CN1C(=O)Cc2cc(NC(=O)NC[C@H]3CN(C)CCO3)ccc21 ZINC000194134797 395789232 /nfs/dbraw/zinc/78/92/32/395789232.db2.gz TWEVOBGRYQRKFZ-ZDUSSCGKSA-N 0 0 318.377 0.658 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629067 395802654 /nfs/dbraw/zinc/80/26/54/395802654.db2.gz QUHHTRICFOVLMA-HNNXBMFYSA-N 0 0 317.389 0.874 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)cn2)C1 ZINC000112335624 395816493 /nfs/dbraw/zinc/81/64/93/395816493.db2.gz ZZPALUGDPAIYHX-JTQLQIEISA-N 0 0 314.183 0.905 10 0 DCAERN CC1(CNC(=O)CCn2nnc3ccccc3c2=O)COC1 ZINC000112616313 395819264 /nfs/dbraw/zinc/81/92/64/395819264.db2.gz DTVRVPQYPWPRLQ-UHFFFAOYSA-N 0 0 302.334 0.334 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCc1cccs1 ZINC000195351690 395825552 /nfs/dbraw/zinc/82/55/52/395825552.db2.gz GYPUTPIZOHUGIG-NSHDSACASA-N 0 0 302.421 0.831 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000195430191 395827085 /nfs/dbraw/zinc/82/70/85/395827085.db2.gz NUOXNUPNRQMGKV-SSDOTTSWSA-N 0 0 315.317 0.893 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)C[C@H](C)OC)CC2)[nH]1 ZINC000195470469 395827630 /nfs/dbraw/zinc/82/76/30/395827630.db2.gz OXDBAXWETWFDIW-JTQLQIEISA-N 0 0 316.427 0.911 10 0 DCAERN CCNc1nnc(S(=O)(=O)Cc2nnnn2C(C)C)s1 ZINC000195479425 395828451 /nfs/dbraw/zinc/82/84/51/395828451.db2.gz TVNNMOVIWXZSFR-UHFFFAOYSA-N 0 0 317.400 0.511 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195503291 395829927 /nfs/dbraw/zinc/82/99/27/395829927.db2.gz VIXSZICWXPXECS-NSHDSACASA-N 0 0 307.398 0.834 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000198355918 395832962 /nfs/dbraw/zinc/83/29/62/395832962.db2.gz BAOSNPGPVXGVMU-CYBMUJFWSA-N 0 0 324.469 0.576 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cscn1 ZINC000050405429 395838770 /nfs/dbraw/zinc/83/87/70/395838770.db2.gz QJKMZXXUALKIEK-JTQLQIEISA-N 0 0 303.409 0.573 10 0 DCAERN CN(C)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412639 395839880 /nfs/dbraw/zinc/83/98/80/395839880.db2.gz UTQYLUSLBWECKQ-SKDRFNHKSA-N 0 0 311.332 0.820 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)N1CCOCC1 ZINC000116418325 395844110 /nfs/dbraw/zinc/84/41/10/395844110.db2.gz JPFPHKMQJVPMLW-KGLIPLIRSA-N 0 0 321.425 0.640 10 0 DCAERN COC(=O)NCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116778171 395845458 /nfs/dbraw/zinc/84/54/58/395845458.db2.gz KAZDUPVREPASQM-GFCCVEGCSA-N 0 0 309.370 0.490 10 0 DCAERN Cc1ccc(F)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116829925 395846382 /nfs/dbraw/zinc/84/63/82/395846382.db2.gz UQPSGAGVTPQSJM-SNVBAGLBSA-N 0 0 300.355 0.898 10 0 DCAERN CCc1nc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cs1 ZINC000116833961 395846950 /nfs/dbraw/zinc/84/69/50/395846950.db2.gz MDXFMMQPGYOICT-VIFPVBQESA-N 0 0 317.436 0.398 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2cccs2)C1 ZINC000116933021 395849687 /nfs/dbraw/zinc/84/96/87/395849687.db2.gz ORQXOIQOXHQCFI-SECBINFHSA-N 0 0 303.409 0.581 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)CCN1CCOC ZINC000117299777 395852102 /nfs/dbraw/zinc/85/21/02/395852102.db2.gz PPNSUEZHTVULPN-OAHLLOKOSA-N 0 0 319.405 0.968 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000118067051 395857979 /nfs/dbraw/zinc/85/79/79/395857979.db2.gz BSGJZRSYOLXFPL-LBPRGKRZSA-N 0 0 319.365 0.789 10 0 DCAERN CN(CC(=O)NC[C@H]1CN(C)CCO1)C(=O)c1cccs1 ZINC000194612679 395801845 /nfs/dbraw/zinc/80/18/45/395801845.db2.gz XGXQBJQQJSFJDF-NSHDSACASA-N 0 0 311.407 0.267 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000234551399 395889002 /nfs/dbraw/zinc/88/90/02/395889002.db2.gz FIZAEADAABSZNI-HCWSGVFWSA-N 0 0 305.396 0.361 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1ccnn1C ZINC000234621321 395889946 /nfs/dbraw/zinc/88/99/46/395889946.db2.gz HDJUEFTVGODINS-WDEREUQCSA-N 0 0 301.368 0.181 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCc1nccs1 ZINC000234616815 395890217 /nfs/dbraw/zinc/89/02/17/395890217.db2.gz CVHFHMKNUPOTJR-NXEZZACHSA-N 0 0 318.420 0.947 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1nc(C)no1 ZINC000234621907 395890279 /nfs/dbraw/zinc/89/02/79/395890279.db2.gz NJRTVDHMVMESOK-DTWKUNHWSA-N 0 0 303.340 0.139 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCn1cccc1 ZINC000234618027 395890319 /nfs/dbraw/zinc/89/03/19/395890319.db2.gz QXDSDAMNHPSAMW-NWDGAFQWSA-N 0 0 300.380 0.749 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000123044525 395891463 /nfs/dbraw/zinc/89/14/63/395891463.db2.gz VKSYROGFBJBPMJ-ABAIWWIYSA-N 0 0 306.366 0.512 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)C1 ZINC000123079213 395891992 /nfs/dbraw/zinc/89/19/92/395891992.db2.gz XXUZAIMCYXMMAO-SECBINFHSA-N 0 0 302.331 0.376 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)NCC2(C)COC2)c1 ZINC000123255753 395893006 /nfs/dbraw/zinc/89/30/06/395893006.db2.gz JSLCNQWRLQTJCB-UHFFFAOYSA-N 0 0 306.362 0.507 10 0 DCAERN CN1C(=O)C[C@H](N2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604217 395929493 /nfs/dbraw/zinc/92/94/93/395929493.db2.gz OUOZUUXUOKJHBS-WMLDXEAASA-N 0 0 300.358 0.918 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000125827093 395906424 /nfs/dbraw/zinc/90/64/24/395906424.db2.gz NEKULAUNKCNABJ-HOTGVXAUSA-N 0 0 307.438 0.936 10 0 DCAERN C[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000125866830 395907407 /nfs/dbraw/zinc/90/74/07/395907407.db2.gz LQMBZSJGGMGEPH-UWVGGRQHSA-N 0 0 318.370 0.380 10 0 DCAERN C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCNC(=O)CC1 ZINC000054867681 395907487 /nfs/dbraw/zinc/90/74/87/395907487.db2.gz ZJOGNYOGEYUQFL-LBPRGKRZSA-N 0 0 307.369 0.695 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000054874874 395907638 /nfs/dbraw/zinc/90/76/38/395907638.db2.gz MBNLCRLLJXULBP-UHFFFAOYSA-N 0 0 306.366 0.725 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1COCCN1 ZINC000237235507 395908037 /nfs/dbraw/zinc/90/80/37/395908037.db2.gz YOQOCJYGEYZSTB-LSDHHAIUSA-N 0 0 308.378 0.011 10 0 DCAERN CN(C)C(=O)CN1CCCN(CC(=O)N2CCCCCC2)CC1 ZINC000126941170 395914173 /nfs/dbraw/zinc/91/41/73/395914173.db2.gz DOPZNTURXVMZKC-UHFFFAOYSA-N 0 0 324.469 0.485 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)on1 ZINC000055232251 395914352 /nfs/dbraw/zinc/91/43/52/395914352.db2.gz PDNQYJAQVAMSKB-LBPRGKRZSA-N 0 0 307.350 0.694 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000273376072 395916528 /nfs/dbraw/zinc/91/65/28/395916528.db2.gz GLNQKTMSUKJLAT-DCGLDWPTSA-N 0 0 319.357 0.829 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@H]2CCCS2(=O)=O)c1 ZINC000127883608 395916890 /nfs/dbraw/zinc/91/68/90/395916890.db2.gz QXHORYDLIMMNHH-LLVKDONJSA-N 0 0 300.384 0.068 10 0 DCAERN CN(C(=O)N1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000242896424 395923647 /nfs/dbraw/zinc/92/36/47/395923647.db2.gz GPAALLGKTSQEFG-UHFFFAOYSA-N 0 0 303.428 0.948 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515374 395861603 /nfs/dbraw/zinc/86/16/03/395861603.db2.gz GVKSXEMSIJZUPF-UONOGXRCSA-N 0 0 316.398 0.873 10 0 DCAERN COCCOCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118669703 395862876 /nfs/dbraw/zinc/86/28/76/395862876.db2.gz GPZXHDVXPUJTFI-ZDUSSCGKSA-N 0 0 308.382 0.615 10 0 DCAERN O=C(CN1CCCC1=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118669293 395862997 /nfs/dbraw/zinc/86/29/97/395862997.db2.gz BIIJOGCYPPBMBD-LBPRGKRZSA-N 0 0 303.366 0.184 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccn(C)n1)C2=O ZINC000052528294 395864066 /nfs/dbraw/zinc/86/40/66/395864066.db2.gz PSBMINIQMOLGFS-UHFFFAOYSA-N 0 0 319.365 0.859 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@@H](C)C1 ZINC000245392075 395927604 /nfs/dbraw/zinc/92/76/04/395927604.db2.gz AFTAFYBVBSNBOX-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@](C)(O)CC1 ZINC000228068115 395870734 /nfs/dbraw/zinc/87/07/34/395870734.db2.gz UQYNHNVGIRTNTO-LLVKDONJSA-N 0 0 307.803 0.999 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CN2CCCCC2=O)n[nH]1 ZINC000119570117 395872222 /nfs/dbraw/zinc/87/22/22/395872222.db2.gz KOHUIXWVJPXMQM-UHFFFAOYSA-N 0 0 302.338 0.761 10 0 DCAERN O=C1C[C@@H](NCc2ccc(I)o2)CN1 ZINC000228928875 395873362 /nfs/dbraw/zinc/87/33/62/395873362.db2.gz YUKABTBYAFWVES-ZCFIWIBFSA-N 0 0 306.103 0.862 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1 ZINC000230108380 395878689 /nfs/dbraw/zinc/87/86/89/395878689.db2.gz VEVVNQAOVIKBRU-UHFFFAOYSA-N 0 0 306.428 0.845 10 0 DCAERN CC[C@H]1NC(=O)N([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272251594 395879610 /nfs/dbraw/zinc/87/96/10/395879610.db2.gz WCEDCZOXHCCESL-NXEZZACHSA-N 0 0 305.338 0.164 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000120702714 395882034 /nfs/dbraw/zinc/88/20/34/395882034.db2.gz GIVHRWAIOXZDDI-FRRDWIJNSA-N 0 0 310.398 0.341 10 0 DCAERN CCc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)n[nH]1 ZINC000120680510 395882048 /nfs/dbraw/zinc/88/20/48/395882048.db2.gz XCWKHHDQRXLPRL-UHFFFAOYSA-N 0 0 301.310 0.054 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000120497083 395882159 /nfs/dbraw/zinc/88/21/59/395882159.db2.gz PFXHRYONPQKVSG-SNVBAGLBSA-N 0 0 321.343 0.998 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000121625797 395884820 /nfs/dbraw/zinc/88/48/20/395884820.db2.gz VMHNMMYNDYNWDL-NSHDSACASA-N 0 0 308.407 0.706 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccc(N(C)C(C)C)nc2)CCO1 ZINC000248842011 395998379 /nfs/dbraw/zinc/99/83/79/395998379.db2.gz LXIJAGSBDZIMMC-CQSZACIVSA-N 0 0 306.410 0.873 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000056850319 395934112 /nfs/dbraw/zinc/93/41/12/395934112.db2.gz KNWDWZLOBHMCTJ-SNVBAGLBSA-N 0 0 304.755 0.048 10 0 DCAERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000245981594 395939282 /nfs/dbraw/zinc/93/92/82/395939282.db2.gz PLNFMELSTFCHTH-AVGNSLFASA-N 0 0 307.398 0.785 10 0 DCAERN COc1ccc(CN2CCCN([C@@H]3CCNC3=O)CC2=O)cc1 ZINC000274325028 395939641 /nfs/dbraw/zinc/93/96/41/395939641.db2.gz DCGYTYBRSMKEHI-OAHLLOKOSA-N 0 0 317.389 0.618 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246159306 395942563 /nfs/dbraw/zinc/94/25/63/395942563.db2.gz WXXJTTKFGPUBSK-CHWSQXEVSA-N 0 0 317.349 0.796 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246199956 395943987 /nfs/dbraw/zinc/94/39/87/395943987.db2.gz CQWYIDJUZSZCLF-SMDDNHRTSA-N 0 0 318.377 0.911 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H](O)Cc1ccccc1 ZINC000136122548 395944571 /nfs/dbraw/zinc/94/45/71/395944571.db2.gz GZCIKTDPPGUGHO-CQSZACIVSA-N 0 0 301.408 0.936 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000136544358 395947475 /nfs/dbraw/zinc/94/74/75/395947475.db2.gz DWBMOSWPQWRNAK-JSGCOSHPSA-N 0 0 320.393 0.265 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000246438392 395949573 /nfs/dbraw/zinc/94/95/73/395949573.db2.gz WGNRCLVOUWAELN-IPYPFGDCSA-N 0 0 303.362 0.896 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000246428428 395950108 /nfs/dbraw/zinc/95/01/08/395950108.db2.gz UYVPCVKXDWVQHY-GFCCVEGCSA-N 0 0 301.416 0.892 10 0 DCAERN C[C@H](CN([C@H](C)CS(C)(=O)=O)C1CC1)CS(C)(=O)=O ZINC000246478294 395950527 /nfs/dbraw/zinc/95/05/27/395950527.db2.gz HHWCCCJMSSIQMT-GHMZBOCLSA-N 0 0 311.469 0.565 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)C1 ZINC000246882896 395960258 /nfs/dbraw/zinc/96/02/58/395960258.db2.gz KFJGTGRJOQQMDF-WOPDTQHZSA-N 0 0 324.468 0.471 10 0 DCAERN COC[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000246918332 395960907 /nfs/dbraw/zinc/96/09/07/395960907.db2.gz IESSRVFUGQUWEW-ZLDLUXBVSA-N 0 0 305.378 1.000 10 0 DCAERN C[C@H]1C(=O)NCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000060377331 395961158 /nfs/dbraw/zinc/96/11/58/395961158.db2.gz YBDQMJAMKZTKMI-QMMMGPOBSA-N 0 0 318.402 0.794 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)nn1 ZINC000152112139 396000477 /nfs/dbraw/zinc/00/04/77/396000477.db2.gz ADEBXMOHJDOESL-NSHDSACASA-N 0 0 314.411 0.583 10 0 DCAERN CC1(C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@H]2CCO[C@H]21 ZINC000247159125 395968139 /nfs/dbraw/zinc/96/81/39/395968139.db2.gz XYCDPSPDRIBMGD-JHJVBQTASA-N 0 0 324.402 0.877 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000247209869 395968566 /nfs/dbraw/zinc/96/85/66/395968566.db2.gz PRUNDFIYBGWCAG-NWDGAFQWSA-N 0 0 308.386 0.538 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247246633 395970456 /nfs/dbraw/zinc/97/04/56/395970456.db2.gz NJFZWCHVDKSVRR-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN COC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CN(C(C)=O)C1 ZINC000149852092 395970482 /nfs/dbraw/zinc/97/04/82/395970482.db2.gz BLGHNYFLEGYFRV-AWEZNQCLSA-N 0 0 320.345 0.933 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1(=O)=O ZINC000247330142 395971421 /nfs/dbraw/zinc/97/14/21/395971421.db2.gz JCXOJNPYRWFLJK-DZGCQCFKSA-N 0 0 313.419 0.683 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cn1 ZINC000247484912 395974428 /nfs/dbraw/zinc/97/44/28/395974428.db2.gz RENOBJAMEPNYFA-XQQFMLRXSA-N 0 0 306.366 0.915 10 0 DCAERN CC(C)(C)c1nc(CC(=O)N[C@H]2CCC(=O)NC2=O)cs1 ZINC000152141847 396001122 /nfs/dbraw/zinc/00/11/22/396001122.db2.gz XXXODBIBFFIFQL-VIFPVBQESA-N 0 0 309.391 0.905 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000247637840 395977303 /nfs/dbraw/zinc/97/73/03/395977303.db2.gz UJUOIJJEYFEQOB-JSGCOSHPSA-N 0 0 324.402 0.975 10 0 DCAERN C[C@H]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1ccnc1 ZINC000247779299 395978600 /nfs/dbraw/zinc/97/86/00/395978600.db2.gz XHNMYSNMNCDQOS-NWDGAFQWSA-N 0 0 316.413 0.799 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccncc2Br)C1 ZINC000151131926 395979326 /nfs/dbraw/zinc/97/93/26/395979326.db2.gz XNOLXFNIUFCHNZ-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)CNS(=O)(=O)CC ZINC000151353387 395984638 /nfs/dbraw/zinc/98/46/38/395984638.db2.gz PIVQXCURGKFZQU-UHFFFAOYSA-N 0 0 313.423 0.802 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000248453819 395988025 /nfs/dbraw/zinc/98/80/25/395988025.db2.gz LJDYMRWADBKONH-MJBXVCDLSA-N 0 0 319.409 0.858 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000248453995 395988174 /nfs/dbraw/zinc/98/81/74/395988174.db2.gz QRRQWVMKAFCXBG-KKUMJFAQSA-N 0 0 317.389 0.947 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000248570212 395989381 /nfs/dbraw/zinc/98/93/81/395989381.db2.gz LSQIIWQXGAALGF-UXOHQCDBSA-N 0 0 318.439 0.634 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248572214 395989610 /nfs/dbraw/zinc/98/96/10/395989610.db2.gz RNYASSXDZMXEHJ-CHWSQXEVSA-N 0 0 316.760 0.959 10 0 DCAERN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000151644320 395989914 /nfs/dbraw/zinc/98/99/14/395989914.db2.gz NSNKLMWEJBCVBO-RYUDHWBXSA-N 0 0 303.428 0.347 10 0 DCAERN COCCC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248608474 395990943 /nfs/dbraw/zinc/99/09/43/395990943.db2.gz KKCCJIWYWMHOSS-KBPBESRZSA-N 0 0 313.442 0.900 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](CO)SC ZINC000248621802 395991545 /nfs/dbraw/zinc/99/15/45/395991545.db2.gz AVPCEJLWGKVMIX-JHJVBQTASA-N 0 0 304.456 0.716 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000151892951 395995866 /nfs/dbraw/zinc/99/58/66/395995866.db2.gz KBDRMALFPPHGQC-GFCCVEGCSA-N 0 0 302.338 0.762 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn(C)c1N ZINC000248765576 395997012 /nfs/dbraw/zinc/99/70/12/395997012.db2.gz ZLEVMBBWAUVMOW-USWWRNFRSA-N 0 0 306.366 0.949 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000248811817 395997918 /nfs/dbraw/zinc/99/79/18/395997918.db2.gz SUCWIAHZFBARHZ-JLLWLGSASA-N 0 0 312.395 0.310 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000252893392 396024944 /nfs/dbraw/zinc/02/49/44/396024944.db2.gz QIHNBSBRNGPACY-SDDRHHMPSA-N 0 0 320.411 0.225 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153987653 396028103 /nfs/dbraw/zinc/02/81/03/396028103.db2.gz DFYJINUSTNBWSZ-RNJXMRFFSA-N 0 0 307.272 0.822 10 0 DCAERN Cn1cc(CNC(=O)c2nccnc2N)c(C(F)(F)F)n1 ZINC000154015701 396028827 /nfs/dbraw/zinc/02/88/27/396028827.db2.gz IBIWELGVNNUQNM-UHFFFAOYSA-N 0 0 300.244 0.741 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C[C@@H]1OC ZINC000276832296 396031051 /nfs/dbraw/zinc/03/10/51/396031051.db2.gz HSXFZAYZZOOBSC-OKILXGFUSA-N 0 0 320.349 0.714 10 0 DCAERN CCOc1ccccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154110009 396031139 /nfs/dbraw/zinc/03/11/39/396031139.db2.gz ZPFKEOLRWQDZDP-ZDUSSCGKSA-N 0 0 308.378 0.508 10 0 DCAERN O=C(CCCOc1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000154127860 396032014 /nfs/dbraw/zinc/03/20/14/396032014.db2.gz SOSQMGQGIYRETE-HNNXBMFYSA-N 0 0 322.405 0.655 10 0 DCAERN COCc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154151459 396032991 /nfs/dbraw/zinc/03/29/91/396032991.db2.gz VRYKFBZWPOCVGJ-OAHLLOKOSA-N 0 0 308.378 0.256 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCN(C)C(=O)C1(C)C ZINC000154236913 396034198 /nfs/dbraw/zinc/03/41/98/396034198.db2.gz JEMAEOAJNWUZFI-UHFFFAOYSA-N 0 0 317.389 0.804 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@](C)(O)c2cccs2)CCC1=O ZINC000154426616 396037271 /nfs/dbraw/zinc/03/72/71/396037271.db2.gz MCPMUZNAVPAALS-IINYFYTJSA-N 0 0 311.407 0.876 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)C3COC3)CCO2)cn1 ZINC000276953360 396039420 /nfs/dbraw/zinc/03/94/20/396039420.db2.gz OYBDUPCYEZTHPK-GFCCVEGCSA-N 0 0 301.368 0.005 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2cccs2)CCS1(=O)=O ZINC000155502130 396052450 /nfs/dbraw/zinc/05/24/50/396052450.db2.gz QJHVNTIRIQBKCM-SNVBAGLBSA-N 0 0 302.421 0.483 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2ccccc2F)CCS1(=O)=O ZINC000155538793 396053065 /nfs/dbraw/zinc/05/30/65/396053065.db2.gz KQVSSJINCCNDKI-LLVKDONJSA-N 0 0 314.382 0.561 10 0 DCAERN Cc1c(NC(=O)[C@H]2COCCN2)c(=O)n(-c2ccccc2)n1C ZINC000261718112 396059078 /nfs/dbraw/zinc/05/90/78/396059078.db2.gz LRSBEJZUYZUTHB-CYBMUJFWSA-N 0 0 316.361 0.411 10 0 DCAERN Cn1nccc1C1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000159305357 396068196 /nfs/dbraw/zinc/06/81/96/396068196.db2.gz QLYCDKZWRBYFEH-GFCCVEGCSA-N 0 0 313.423 0.966 10 0 DCAERN CC(C)c1ccccc1OC[C@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000250427269 396014699 /nfs/dbraw/zinc/01/46/99/396014699.db2.gz GKHQWPSMKZHZLF-CZUORRHYSA-N 0 0 322.405 0.736 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000250965089 396015825 /nfs/dbraw/zinc/01/58/25/396015825.db2.gz ZOVFMGYRZWNKHU-UTUOFQBUSA-N 0 0 304.412 0.078 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)N(C)CCSC)CC1 ZINC000152878937 396016965 /nfs/dbraw/zinc/01/69/65/396016965.db2.gz YVBVXDQWPKBHHQ-UHFFFAOYSA-N 0 0 302.444 0.201 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)nn1 ZINC000163260070 396086571 /nfs/dbraw/zinc/08/65/71/396086571.db2.gz VLTARMVVVLLPOH-WCQYABFASA-N 0 0 321.381 0.007 10 0 DCAERN COCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(OC)nc1 ZINC000169761869 396091074 /nfs/dbraw/zinc/09/10/74/396091074.db2.gz KTQCMXFBLHXXBA-QWHCGFSZSA-N 0 0 321.377 0.751 10 0 DCAERN CCn1ccc(C(=O)NC[C@@H]2Cn3cccc3C(=O)N2C)n1 ZINC000169778787 396091188 /nfs/dbraw/zinc/09/11/88/396091188.db2.gz SVFGPUYOVPCLLL-LLVKDONJSA-N 0 0 301.350 0.589 10 0 DCAERN CCC(=O)N1CCN([C@H]2CCN(Cc3ccccn3)C2=O)CC1 ZINC000169752159 396091281 /nfs/dbraw/zinc/09/12/81/396091281.db2.gz CBPNAYGGPHYZLW-HNNXBMFYSA-N 0 0 316.405 0.737 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)CSCC(N)=O ZINC000262073360 396095992 /nfs/dbraw/zinc/09/59/92/396095992.db2.gz WYSCJVDELRKLLY-GFCCVEGCSA-N 0 0 323.418 0.387 10 0 DCAERN CO[C@@H](C)c1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000170729484 396096987 /nfs/dbraw/zinc/09/69/87/396096987.db2.gz DSXKYLSJBBECDA-NSHDSACASA-N 0 0 317.345 0.893 10 0 DCAERN Cc1csc([C@H]2CN(CCCS(N)(=O)=O)CCO2)n1 ZINC000170914488 396101700 /nfs/dbraw/zinc/10/17/00/396101700.db2.gz AJIRYOSJKAONER-SNVBAGLBSA-N 0 0 305.425 0.503 10 0 DCAERN NNc1snnc1Cn1cc(I)cn1 ZINC000070678768 396103481 /nfs/dbraw/zinc/10/34/81/396103481.db2.gz GJYBQRGYDSTVGD-UHFFFAOYSA-N 0 0 322.135 0.673 10 0 DCAERN COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000171047180 396104835 /nfs/dbraw/zinc/10/48/35/396104835.db2.gz ITSRWECSBIPYBH-BLYZHGLHSA-N 0 0 312.410 0.849 10 0 DCAERN CO[C@@H](C)c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000171056282 396105705 /nfs/dbraw/zinc/10/57/05/396105705.db2.gz NUPRVPYIDOCXML-JTQLQIEISA-N 0 0 303.318 0.883 10 0 DCAERN COCCNC(=O)CNC(=O)Cc1coc2cc(OC)ccc12 ZINC000071055681 396108488 /nfs/dbraw/zinc/10/84/88/396108488.db2.gz XXQVDLLRRYCKKI-UHFFFAOYSA-N 0 0 320.345 0.863 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCNC(=O)CC2)c(F)cc1F ZINC000175794325 396142379 /nfs/dbraw/zinc/14/23/79/396142379.db2.gz VRLJFVMPJSUYQV-UHFFFAOYSA-N 0 0 304.318 0.784 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CCNS(C)(=O)=O)cn1 ZINC000171352897 396115531 /nfs/dbraw/zinc/11/55/31/396115531.db2.gz CFLXIPRVIIIBMD-NSHDSACASA-N 0 0 300.384 0.023 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000171664665 396121347 /nfs/dbraw/zinc/12/13/47/396121347.db2.gz SOSSPHQCSBYFIX-CQSZACIVSA-N 0 0 324.348 0.731 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)N[C@H]3CCCOC3)ccc2c1=O ZINC000171680912 396122936 /nfs/dbraw/zinc/12/29/36/396122936.db2.gz YLFMCHMVCCCBKJ-NSHDSACASA-N 0 0 317.345 0.619 10 0 DCAERN NC(=O)c1cc(C(=O)N[C@H]2CCCOC2)nn1-c1ccccc1 ZINC000171868723 396126906 /nfs/dbraw/zinc/12/69/06/396126906.db2.gz AGBFLQUTSOEYLS-NSHDSACASA-N 0 0 314.345 0.880 10 0 DCAERN CN(Cc1cnccn1)C(=O)Cn1cnc2ccccc2c1=O ZINC000172154314 396128304 /nfs/dbraw/zinc/12/83/04/396128304.db2.gz VELYDCUJULYXRU-UHFFFAOYSA-N 0 0 309.329 0.845 10 0 DCAERN O=C(CN1CCN(CCO)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000072553180 396131647 /nfs/dbraw/zinc/13/16/47/396131647.db2.gz KLONINNZHKLAJW-UHFFFAOYSA-N 0 0 321.465 0.681 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@]2(O)CCSC2)C1 ZINC000278637100 396136613 /nfs/dbraw/zinc/13/66/13/396136613.db2.gz YLSMJXMZHSAHJG-FZMZJTMJSA-N 0 0 310.423 0.373 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000278689813 396139299 /nfs/dbraw/zinc/13/92/99/396139299.db2.gz JBNUVWCABJFUPD-HNNXBMFYSA-N 0 0 322.386 0.790 10 0 DCAERN [NH3+][C@@H](C(=O)NC1CCN(c2ccccn2)CC1)C1CCOCC1 ZINC000261868494 396074289 /nfs/dbraw/zinc/07/42/89/396074289.db2.gz SUJXDMKWIGIDTK-MRXNPFEDSA-N 0 0 318.421 0.921 10 0 DCAERN CC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)C(N)=O)ccc21 ZINC000277699495 396082262 /nfs/dbraw/zinc/08/22/62/396082262.db2.gz KRHDQWYUQOTJAJ-VIFPVBQESA-N 0 0 304.350 0.981 10 0 DCAERN [NH3+]C[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(F)cc1 ZINC000261948094 396082663 /nfs/dbraw/zinc/08/26/63/396082663.db2.gz LGXLQCNUFGWBBU-CQSZACIVSA-N 0 0 305.353 0.701 10 0 DCAERN CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H]1CC(=O)NC1=O ZINC000162651448 396083068 /nfs/dbraw/zinc/08/30/68/396083068.db2.gz VBHVYEUOHYRKPY-SECBINFHSA-N 0 0 322.365 0.563 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)no1 ZINC000263184129 396205312 /nfs/dbraw/zinc/20/53/12/396205312.db2.gz HBYDGYWQLAGKSQ-SNVBAGLBSA-N 0 0 315.324 0.019 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)CC1(O)CCCCC1 ZINC000073619384 396148059 /nfs/dbraw/zinc/14/80/59/396148059.db2.gz ICNGFXMELUQEBU-LLVKDONJSA-N 0 0 304.412 0.351 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)cc2)CC1 ZINC000176498581 396156352 /nfs/dbraw/zinc/15/63/52/396156352.db2.gz VIWCDXGHQPYDRE-OAHLLOKOSA-N 0 0 319.405 0.849 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000176750388 396159918 /nfs/dbraw/zinc/15/99/18/396159918.db2.gz DPWAMSRSNUWZGD-LLVKDONJSA-N 0 0 324.410 0.944 10 0 DCAERN COC(=O)CNC(=O)CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000178843067 396210703 /nfs/dbraw/zinc/21/07/03/396210703.db2.gz RUSJSDHBPVARRO-UHFFFAOYSA-N 0 0 319.336 0.954 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250163 396170453 /nfs/dbraw/zinc/17/04/53/396170453.db2.gz UKOQJPUTDBQUTB-ZDUSSCGKSA-N 0 0 300.366 0.756 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@](O)(C(F)(F)F)C1 ZINC000177305643 396171786 /nfs/dbraw/zinc/17/17/86/396171786.db2.gz JMXFURMAZUFYDY-LDYMZIIASA-N 0 0 319.287 0.822 10 0 DCAERN CC1(C)CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCS1(=O)=O ZINC000177326059 396172106 /nfs/dbraw/zinc/17/21/06/396172106.db2.gz OKJWZAJSCJPNCY-UHFFFAOYSA-N 0 0 323.374 0.505 10 0 DCAERN CS(=O)(=O)CCNC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000074873891 396173746 /nfs/dbraw/zinc/17/37/46/396173746.db2.gz DWQVRANUPVILEX-RYUDHWBXSA-N 0 0 314.411 0.711 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000177560377 396178913 /nfs/dbraw/zinc/17/89/13/396178913.db2.gz LLGZZXSHAMQDOK-ZETCQYMHSA-N 0 0 322.818 0.385 10 0 DCAERN O=C(C[S@@](=O)Cc1nnnn1C1CC1)NC1CCCCC1 ZINC000075471922 396180284 /nfs/dbraw/zinc/18/02/84/396180284.db2.gz LOWJSKSEOCCAFP-OAQYLSRUSA-N 0 0 311.411 0.706 10 0 DCAERN C[C@@]1(CNC(=O)CNC(=O)c2ccccn2)CCCC[C@@H]1O ZINC000178311929 396193849 /nfs/dbraw/zinc/19/38/49/396193849.db2.gz BPUHDTYHVDSNBY-BBRMVZONSA-N 0 0 305.378 0.869 10 0 DCAERN Cc1ccnc2nc(C(=O)NCc3ccc(CO)c(F)c3)nn21 ZINC000178312444 396194300 /nfs/dbraw/zinc/19/43/00/396194300.db2.gz XITLYDTZXZYYQC-UHFFFAOYSA-N 0 0 315.308 0.994 10 0 DCAERN COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cnn(C)c1 ZINC000178599118 396200400 /nfs/dbraw/zinc/20/04/00/396200400.db2.gz YMFCTFBEEJZGDY-LBPRGKRZSA-N 0 0 311.363 0.441 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000076417523 396202929 /nfs/dbraw/zinc/20/29/29/396202929.db2.gz ZWNHXAAHIPSOAO-SNVBAGLBSA-N 0 0 308.407 0.781 10 0 DCAERN Cc1nccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)n1 ZINC000080425412 396281050 /nfs/dbraw/zinc/28/10/50/396281050.db2.gz MOUYVAQKYRZTEP-AWEZNQCLSA-N 0 0 313.361 0.681 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCNC(=O)N(C)C)cnc12 ZINC000181045565 396236223 /nfs/dbraw/zinc/23/62/23/396236223.db2.gz CGRZLUVXRVOTSM-UHFFFAOYSA-N 0 0 317.349 0.004 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC(=O)NCC1CC1 ZINC000181311300 396237919 /nfs/dbraw/zinc/23/79/19/396237919.db2.gz NSJXOZLJMBTOKM-UHFFFAOYSA-N 0 0 317.349 0.233 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCNC(=O)C(C)C ZINC000181620686 396240608 /nfs/dbraw/zinc/24/06/08/396240608.db2.gz RRURVTCGBXBVME-UHFFFAOYSA-N 0 0 319.365 0.479 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000182231429 396248117 /nfs/dbraw/zinc/24/81/17/396248117.db2.gz VKUDBCFZLBHPSO-CYBMUJFWSA-N 0 0 321.425 0.876 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCc1ncc[nH]1 ZINC000182725174 396253346 /nfs/dbraw/zinc/25/33/46/396253346.db2.gz DEJLPGWICBZWQY-UHFFFAOYSA-N 0 0 300.322 0.673 10 0 DCAERN CC1(C)COCCN1CCNC(=O)NCCCn1ccnn1 ZINC000182724870 396253523 /nfs/dbraw/zinc/25/35/23/396253523.db2.gz IQPHSBCXTMZWAZ-UHFFFAOYSA-N 0 0 310.402 0.078 10 0 DCAERN Cc1oc2ccccc2c1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000184035009 396282118 /nfs/dbraw/zinc/28/21/18/396282118.db2.gz FNRMLFWYAMJWMS-NSHDSACASA-N 0 0 301.302 0.956 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cc([C@H]3CCCO3)nn2C)CC(=O)N1C ZINC000282014944 396255796 /nfs/dbraw/zinc/25/57/96/396255796.db2.gz IYOXOENLYYFKBI-CMPLNLGQSA-N 0 0 321.381 0.966 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182980941 396258284 /nfs/dbraw/zinc/25/82/84/396258284.db2.gz IANFTNWECNPBRT-GFCCVEGCSA-N 0 0 307.398 0.822 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)CO2 ZINC000282068717 396260584 /nfs/dbraw/zinc/26/05/84/396260584.db2.gz BRJFJWOPVSZZKP-YPMHNXCESA-N 0 0 318.373 0.935 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CC(=O)N1C ZINC000282104781 396263770 /nfs/dbraw/zinc/26/37/70/396263770.db2.gz FEOKLDGLMPFNGH-NSHDSACASA-N 0 0 316.361 0.519 10 0 DCAERN O=C(NCc1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000264276757 396266389 /nfs/dbraw/zinc/26/63/89/396266389.db2.gz QPTTXJPOUFRHSL-UHFFFAOYSA-N 0 0 305.334 0.489 10 0 DCAERN CN1C(=O)c2ccc(S(=O)(=O)N[C@@H]3CCCOC3)cc2C1=O ZINC000264366260 396274829 /nfs/dbraw/zinc/27/48/29/396274829.db2.gz HUGLAVNHAVSEEC-SECBINFHSA-N 0 0 324.358 0.370 10 0 DCAERN COc1cccc([C@@H]2C[C@@H](O)CN2CCNS(C)(=O)=O)c1 ZINC000282242608 396274941 /nfs/dbraw/zinc/27/49/41/396274941.db2.gz QBFXROGEZYMSKT-OCCSQVGLSA-N 0 0 314.407 0.352 10 0 DCAERN Cn1ccnc(NC(=O)NCc2ccc(CO)c(F)c2)c1=O ZINC000183857473 396276698 /nfs/dbraw/zinc/27/66/98/396276698.db2.gz OZYJMKQJJYBWBY-UHFFFAOYSA-N 0 0 306.297 0.733 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000183894316 396277082 /nfs/dbraw/zinc/27/70/82/396277082.db2.gz MUGRVKJJAMYPGD-ZDUSSCGKSA-N 0 0 313.427 0.892 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)CC(=O)N1C ZINC000282355934 396283329 /nfs/dbraw/zinc/28/33/29/396283329.db2.gz MBCXWWWBLRVBFL-NSHDSACASA-N 0 0 303.366 0.380 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1C ZINC000077523492 396225177 /nfs/dbraw/zinc/22/51/77/396225177.db2.gz UHJRIVCCVOYMPB-CYBMUJFWSA-N 0 0 320.393 0.440 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)C1CCOCC1 ZINC000179297408 396225238 /nfs/dbraw/zinc/22/52/38/396225238.db2.gz SYUOUGBXXIRFPE-LBPRGKRZSA-N 0 0 320.455 0.837 10 0 DCAERN C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000179309011 396226161 /nfs/dbraw/zinc/22/61/61/396226161.db2.gz UUDDWXZUUDLWCD-PWSUYJOCSA-N 0 0 312.391 0.607 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCS(=O)(=O)NC(C)C ZINC000179423911 396226712 /nfs/dbraw/zinc/22/67/12/396226712.db2.gz HKBVOTJNXFTFDI-UHFFFAOYSA-N 0 0 318.399 0.995 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c[nH]1 ZINC000077615406 396227035 /nfs/dbraw/zinc/22/70/35/396227035.db2.gz MEFIATWEJFFYKC-ZDUSSCGKSA-N 0 0 305.382 0.097 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)N(C)Cc1cnn(C)c1 ZINC000184004436 396280700 /nfs/dbraw/zinc/28/07/00/396280700.db2.gz FOFKATIUMIZNDA-UHFFFAOYSA-N 0 0 320.353 0.994 10 0 DCAERN CC(C)(C)c1nnc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185189935 396320729 /nfs/dbraw/zinc/32/07/29/396320729.db2.gz SFOFYEWSDAKNTG-BDAKNGLRSA-N 0 0 314.411 0.202 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCc1cc(F)cc(F)c1 ZINC000185188867 396320878 /nfs/dbraw/zinc/32/08/78/396320878.db2.gz SLJIBAFGVLLMSP-CHWSQXEVSA-N 0 0 300.305 0.009 10 0 DCAERN Cc1cccc(C)c1-n1nnnc1CN1C[C@@H](O)C[C@@H]1CO ZINC000185190832 396320923 /nfs/dbraw/zinc/32/09/23/396320923.db2.gz UUNUVAZEWBSMKL-OLZOCXBDSA-N 0 0 303.366 0.207 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2ccccc2F)C1 ZINC000185089881 396316825 /nfs/dbraw/zinc/31/68/25/396316825.db2.gz VDEGDMFQJZFZDO-LBPRGKRZSA-N 0 0 312.341 0.012 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000185091946 396317981 /nfs/dbraw/zinc/31/79/81/396317981.db2.gz LBFZAZIEFQDAAZ-OAHLLOKOSA-N 0 0 322.405 0.490 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000185151020 396319371 /nfs/dbraw/zinc/31/93/71/396319371.db2.gz NMTTWBPGQHJHTJ-HLLBOEOZSA-N 0 0 324.421 0.648 10 0 DCAERN COC(=O)C1(C(=O)N2CCN(c3cccs3)C(=O)C2)CC1 ZINC000184093934 396284974 /nfs/dbraw/zinc/28/49/74/396284974.db2.gz YKQVVHXDZULYRW-UHFFFAOYSA-N 0 0 308.359 0.877 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2nc(C)c3ccccc3n2)CCO1 ZINC000184087270 396285658 /nfs/dbraw/zinc/28/56/58/396285658.db2.gz WBORMBXPFJUHGM-AWEZNQCLSA-N 0 0 300.362 0.885 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2ccc(C)c(C)c2)n1 ZINC000184234001 396288257 /nfs/dbraw/zinc/28/82/57/396288257.db2.gz VNDPTWDUGPJZTA-UHFFFAOYSA-N 0 0 303.322 0.799 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CN2CCCCCC2=O)CC1=O ZINC000081375236 396299649 /nfs/dbraw/zinc/29/96/49/396299649.db2.gz YVLRCGGENJZVFA-UPJWGTAASA-N 0 0 307.394 0.515 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCCOC)CCN1CCOC ZINC000184749855 396304572 /nfs/dbraw/zinc/30/45/72/396304572.db2.gz NSFQKSPZASSKCB-CQSZACIVSA-N 0 0 322.471 0.785 10 0 DCAERN Cc1csc(C2(NC(=O)Cn3ccc(=O)[nH]c3=O)CCC2)n1 ZINC000265297345 396306482 /nfs/dbraw/zinc/30/64/82/396306482.db2.gz LQKCXQZPQYFQBJ-UHFFFAOYSA-N 0 0 320.374 0.909 10 0 DCAERN C[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1N1CCOCC1 ZINC000184829623 396308157 /nfs/dbraw/zinc/30/81/57/396308157.db2.gz DXMLXQZKDGHKAI-UKRRQHHQSA-N 0 0 321.425 0.697 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)CCc1ccnn1C ZINC000184863397 396308748 /nfs/dbraw/zinc/30/87/48/396308748.db2.gz NASVZLPGJMZZNQ-GFCCVEGCSA-N 0 0 310.423 0.733 10 0 DCAERN CCOc1cccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185191334 396321249 /nfs/dbraw/zinc/32/12/49/396321249.db2.gz IHMAIUCBCBVDFS-KGLIPLIRSA-N 0 0 308.378 0.129 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(OC(F)F)n(C)n2)C1 ZINC000185198525 396321260 /nfs/dbraw/zinc/32/12/60/396321260.db2.gz OIYXCOUSNOILOP-SECBINFHSA-N 0 0 316.308 0.762 10 0 DCAERN CCC1(CC)CN(CCN2C(=O)CCC2=O)CC[S@@]1=O ZINC000185255001 396322948 /nfs/dbraw/zinc/32/29/48/396322948.db2.gz CZLSXJQFNQNACU-FQEVSTJZSA-N 0 0 300.424 0.759 10 0 DCAERN CCNC(=O)NC(=O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185482756 396328777 /nfs/dbraw/zinc/32/87/77/396328777.db2.gz HXBKGWLGIHUNBT-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1ccccc1C(N)=O ZINC000185927182 396337138 /nfs/dbraw/zinc/33/71/38/396337138.db2.gz FTNFZKKEOMLIGB-MRXNPFEDSA-N 0 0 318.377 0.454 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NC1(c2nccs2)CCCC1 ZINC000265697640 396337887 /nfs/dbraw/zinc/33/78/87/396337887.db2.gz XWMDQHQEDGPDRW-UHFFFAOYSA-N 0 0 308.363 0.580 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186197857 396344270 /nfs/dbraw/zinc/34/42/70/396344270.db2.gz QXYSAPCNLWLLMG-NSHDSACASA-N 0 0 303.366 0.072 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186241213 396345951 /nfs/dbraw/zinc/34/59/51/396345951.db2.gz WQRDUYGRXJNJSN-UHFFFAOYSA-N 0 0 307.375 0.616 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2CCN(c3cccs3)C(=O)C2)C1 ZINC000186237951 396346360 /nfs/dbraw/zinc/34/63/60/396346360.db2.gz NDJMTMZOQAKOAG-GFCCVEGCSA-N 0 0 323.418 0.644 10 0 DCAERN CC(C)[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)C(N)=O ZINC000186139846 396342330 /nfs/dbraw/zinc/34/23/30/396342330.db2.gz MCPZPGNWHZZTIU-SNVBAGLBSA-N 0 0 303.326 0.294 10 0 DCAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CNC(=O)C1 ZINC000283706233 396343632 /nfs/dbraw/zinc/34/36/32/396343632.db2.gz XZEWEONYEBBABL-UPJWGTAASA-N 0 0 300.362 0.703 10 0 DCAERN CCN1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1 ZINC000186677215 396355373 /nfs/dbraw/zinc/35/53/73/396355373.db2.gz MZFDRWSLZYSMNQ-LBPRGKRZSA-N 0 0 319.409 0.957 10 0 DCAERN CC(C)N1CC[C@@H](N2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488069 396359911 /nfs/dbraw/zinc/35/99/11/396359911.db2.gz PHDKYLOCBJDODT-ZBFHGGJFSA-N 0 0 306.410 0.977 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCc3c[nH]nc3C)CC2)n[nH]1 ZINC000186949348 396360946 /nfs/dbraw/zinc/36/09/46/396360946.db2.gz YDUQXDIKVXGBMA-UHFFFAOYSA-N 0 0 303.370 0.781 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187354251 396368087 /nfs/dbraw/zinc/36/80/87/396368087.db2.gz DIRGCPWPCALVFP-UHFFFAOYSA-N 0 0 305.382 0.457 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@@H]1C ZINC000187715642 396373014 /nfs/dbraw/zinc/37/30/14/396373014.db2.gz LZRXLGHUWUBDNN-NWDGAFQWSA-N 0 0 304.350 0.379 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000187746127 396373809 /nfs/dbraw/zinc/37/38/09/396373809.db2.gz GCLKNMGSDPAPJK-NSHDSACASA-N 0 0 309.753 0.698 10 0 DCAERN COC(=O)NCCC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186444805 396349943 /nfs/dbraw/zinc/34/99/43/396349943.db2.gz ALNRHZONLKSWLK-UHFFFAOYSA-N 0 0 306.366 0.866 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000188282880 396381036 /nfs/dbraw/zinc/38/10/36/396381036.db2.gz OPTCQPKSJQHIQW-AAEUAGOBSA-N 0 0 306.362 0.884 10 0 DCAERN Cc1cc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)n[nH]1 ZINC000188272890 396381068 /nfs/dbraw/zinc/38/10/68/396381068.db2.gz VTPBPUZBKMSPKK-UHFFFAOYSA-N 0 0 316.365 0.771 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000188386647 396381862 /nfs/dbraw/zinc/38/18/62/396381862.db2.gz MQRNQSHLYYKDDV-HZPDHXFCSA-N 0 0 317.389 0.317 10 0 DCAERN COc1cc(NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)ncn1 ZINC000188525755 396383062 /nfs/dbraw/zinc/38/30/62/396383062.db2.gz PROOIAPAUNIYEV-UHFFFAOYSA-N 0 0 317.353 0.871 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188642152 396384479 /nfs/dbraw/zinc/38/44/79/396384479.db2.gz QMEMQWADCFBHMA-NSHDSACASA-N 0 0 324.377 0.983 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2ccncc2)CCN1CCO ZINC000188749834 396385778 /nfs/dbraw/zinc/38/57/78/396385778.db2.gz FTQSKYKHJLESIC-CYBMUJFWSA-N 0 0 309.435 0.840 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297784 396386676 /nfs/dbraw/zinc/38/66/76/396386676.db2.gz HVLAVZGTTODSED-LZLYRXPVSA-N 0 0 318.417 0.912 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCN1CCO ZINC000188819211 396387251 /nfs/dbraw/zinc/38/72/51/396387251.db2.gz XYNKDDQHVNFJAS-CYBMUJFWSA-N 0 0 319.405 0.527 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1CCO ZINC000188811030 396387504 /nfs/dbraw/zinc/38/75/04/396387504.db2.gz SUCXXLISESWGTH-UONOGXRCSA-N 0 0 323.437 0.303 10 0 DCAERN CN1C[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1=O ZINC000188872737 396388204 /nfs/dbraw/zinc/38/82/04/396388204.db2.gz YQQGWEWIMKOWLB-CYBMUJFWSA-N 0 0 322.409 0.261 10 0 DCAERN CCc1nnsc1C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189057617 396390690 /nfs/dbraw/zinc/39/06/90/396390690.db2.gz HZOKACUNHJFGJJ-UHFFFAOYSA-N 0 0 312.395 0.421 10 0 DCAERN COCCn1ccc(C(=O)N[C@H](C)C(=O)N2CCCCC2)n1 ZINC000189085441 396390721 /nfs/dbraw/zinc/39/07/21/396390721.db2.gz RTKGAYOUUQPSNQ-GFCCVEGCSA-N 0 0 308.382 0.660 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000189117071 396391287 /nfs/dbraw/zinc/39/12/87/396391287.db2.gz GKYQAHFJIBUSCT-AAVRWANBSA-N 0 0 310.394 0.432 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN1c1nccs1 ZINC000189232743 396391719 /nfs/dbraw/zinc/39/17/19/396391719.db2.gz ZGNITRDZDONRFT-QWRGUYRKSA-N 0 0 308.407 0.849 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000189225002 396392227 /nfs/dbraw/zinc/39/22/27/396392227.db2.gz ZJLZSLVGUCYMEU-HNNXBMFYSA-N 0 0 318.373 0.856 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189331557 396394453 /nfs/dbraw/zinc/39/44/53/396394453.db2.gz KDCBUTFWSOKHEQ-CQSZACIVSA-N 0 0 303.406 0.864 10 0 DCAERN O=S(=O)([C@@H]1CCN(CCOCC(F)F)C1)N1CCCC1 ZINC000189575514 396397194 /nfs/dbraw/zinc/39/71/94/396397194.db2.gz PCODJISFKHGFCY-LLVKDONJSA-N 0 0 312.382 0.768 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCCn3cccn3)CC2)n[nH]1 ZINC000189699834 396397669 /nfs/dbraw/zinc/39/76/69/396397669.db2.gz NPTKEHCCZRVPJB-UHFFFAOYSA-N 0 0 317.397 0.837 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCCNC(=O)C3CC3)CC2)n[nH]1 ZINC000189742701 396398471 /nfs/dbraw/zinc/39/84/71/396398471.db2.gz RBYUGXIDSTYXMY-UHFFFAOYSA-N 0 0 319.409 0.673 10 0 DCAERN CC(C)(CNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000189952017 396400879 /nfs/dbraw/zinc/40/08/79/396400879.db2.gz HGOSKKYEPUJEPO-UHFFFAOYSA-N 0 0 324.425 0.017 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000190442744 396406492 /nfs/dbraw/zinc/40/64/92/396406492.db2.gz QBMGGIFRGINPPT-UHFFFAOYSA-N 0 0 304.350 0.040 10 0 DCAERN CCN1CN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1=O ZINC000190536875 396407574 /nfs/dbraw/zinc/40/75/74/396407574.db2.gz VWDCYRAAAQDINL-ZDUSSCGKSA-N 0 0 322.409 0.562 10 0 DCAERN CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190591049 396408172 /nfs/dbraw/zinc/40/81/72/396408172.db2.gz JHFPEFGCFPZEGQ-GFCCVEGCSA-N 0 0 315.370 0.323 10 0 DCAERN CCN1CN(C(=O)C2CCN(c3cnccn3)CC2)CC1=O ZINC000190566371 396408219 /nfs/dbraw/zinc/40/82/19/396408219.db2.gz CIKSZSWWTUEGAD-UHFFFAOYSA-N 0 0 303.366 0.341 10 0 DCAERN CCc1nc(C2CCN(CC(=O)N3CCOCC3)CC2)n[nH]1 ZINC000190691522 396410276 /nfs/dbraw/zinc/41/02/76/396410276.db2.gz GBSHCPUVUDNMIJ-UHFFFAOYSA-N 0 0 307.398 0.405 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190693365 396410322 /nfs/dbraw/zinc/41/03/22/396410322.db2.gz LTZOXNMDYRGPPN-JTQLQIEISA-N 0 0 322.413 0.781 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C[C@H](C)O1 ZINC000190894857 396412495 /nfs/dbraw/zinc/41/24/95/396412495.db2.gz CSUFACYNBIPENC-WCFLWFBJSA-N 0 0 323.397 0.867 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000190987629 396413704 /nfs/dbraw/zinc/41/37/04/396413704.db2.gz QOTAQJRJMMTMDN-MRVPVSSYSA-N 0 0 303.771 0.634 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191044283 396414222 /nfs/dbraw/zinc/41/42/22/396414222.db2.gz NOYHPJVMOUTMDK-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191112392 396415944 /nfs/dbraw/zinc/41/59/44/396415944.db2.gz LXZHSEIOYOVSDQ-UHFFFAOYSA-N 0 0 318.377 0.748 10 0 DCAERN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCCN(C)C(=O)C1 ZINC000191114328 396416064 /nfs/dbraw/zinc/41/60/64/396416064.db2.gz YOJDMICQUAYAJQ-LBPRGKRZSA-N 0 0 307.369 0.995 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191185637 396416663 /nfs/dbraw/zinc/41/66/63/396416663.db2.gz PANXAJNDHZGCDX-NSHDSACASA-N 0 0 306.366 0.900 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191269356 396417397 /nfs/dbraw/zinc/41/73/97/396417397.db2.gz SKAQWLCPOHZGLI-UHFFFAOYSA-N 0 0 308.382 0.303 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191544212 396421208 /nfs/dbraw/zinc/42/12/08/396421208.db2.gz SMACHGVFGQGAFW-YGRLFVJLSA-N 0 0 321.352 0.567 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NCc2ccccc2OC)CC1=O ZINC000191558400 396421280 /nfs/dbraw/zinc/42/12/80/396421280.db2.gz NOOBYVLQAFECHD-LBPRGKRZSA-N 0 0 305.378 0.822 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1=O ZINC000191566911 396422191 /nfs/dbraw/zinc/42/21/91/396422191.db2.gz WSMCOPKGSQGECG-LBPRGKRZSA-N 0 0 307.369 0.995 10 0 DCAERN COCCN1CCCN(C(=O)Nc2ccc(F)cn2)CC1=O ZINC000191629050 396422539 /nfs/dbraw/zinc/42/25/39/396422539.db2.gz WTHBLIPGUNTSIF-UHFFFAOYSA-N 0 0 310.329 0.933 10 0 DCAERN CCCC(=O)NCC(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000191999272 396428039 /nfs/dbraw/zinc/42/80/39/396428039.db2.gz JUARSYRIKGZMSQ-LBPRGKRZSA-N 0 0 310.423 0.953 10 0 DCAERN Cc1nnc([C@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045628 396428995 /nfs/dbraw/zinc/42/89/95/396428995.db2.gz IXRJUZBCGAJFOO-NWDGAFQWSA-N 0 0 306.366 0.972 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)s1 ZINC000269710850 396438633 /nfs/dbraw/zinc/43/86/33/396438633.db2.gz NJOAURRMKZICKL-SNVBAGLBSA-N 0 0 317.436 0.914 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)ccc1F ZINC000187986030 396377084 /nfs/dbraw/zinc/37/70/84/396377084.db2.gz YLEPKAVVKRBHJO-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nncn3C)C2)C1 ZINC000193068448 396442974 /nfs/dbraw/zinc/44/29/74/396442974.db2.gz KWEDHAAHXWNIII-ZIAGYGMSSA-N 0 0 319.409 0.780 10 0 DCAERN CC1(C)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H]2CCO[C@@H]21 ZINC000188218236 396380079 /nfs/dbraw/zinc/38/00/79/396380079.db2.gz YQONTJGFQZMBFQ-WQHBLYJGSA-N 0 0 314.345 0.861 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000188216475 396380561 /nfs/dbraw/zinc/38/05/61/396380561.db2.gz TXXOOICZKUVUNG-LBPRGKRZSA-N 0 0 318.377 0.890 10 0 DCAERN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580942764 396512509 /nfs/dbraw/zinc/51/25/09/396512509.db2.gz AQEOIBJCCBKKER-JSGCOSHPSA-N 0 0 321.421 0.905 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)c(C)n1 ZINC000193538118 396453129 /nfs/dbraw/zinc/45/31/29/396453129.db2.gz INTQBKLYFKXFIT-UHFFFAOYSA-N 0 0 304.394 0.592 10 0 DCAERN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cn[nH]c1 ZINC000270176228 396462412 /nfs/dbraw/zinc/46/24/12/396462412.db2.gz CDVMVRLZBVCOPM-WCQYABFASA-N 0 0 321.381 0.504 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371785266 396476443 /nfs/dbraw/zinc/47/64/43/396476443.db2.gz XLUQTFMVKZNIPM-HNNXBMFYSA-N 0 0 317.389 0.545 10 0 DCAERN CN(CC(=O)N1CCN2CCOC[C@H]2C1)C(=O)c1cccs1 ZINC000371789051 396476674 /nfs/dbraw/zinc/47/66/74/396476674.db2.gz PYPUBUZVWPSQLV-GFCCVEGCSA-N 0 0 323.418 0.363 10 0 DCAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371834670 396478109 /nfs/dbraw/zinc/47/81/09/396478109.db2.gz LZMJHLZZKVSQDW-LLVKDONJSA-N 0 0 324.768 0.217 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371834637 396478261 /nfs/dbraw/zinc/47/82/61/396478261.db2.gz LSALZHXHCDTPAB-CYBMUJFWSA-N 0 0 319.361 0.177 10 0 DCAERN CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000371895502 396479635 /nfs/dbraw/zinc/47/96/35/396479635.db2.gz YRNUMHHXXPFUCC-JTQLQIEISA-N 0 0 312.395 0.041 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N(C)[C@@H]1CCSC1 ZINC000516504553 396515242 /nfs/dbraw/zinc/51/52/42/396515242.db2.gz FFXHHPDWPCLAOX-MNOVXSKESA-N 0 0 323.422 0.502 10 0 DCAERN CN(CCCC(=O)N1C[C@H](O)C[C@H]1CO)C(=O)OC(C)(C)C ZINC000372478340 396521181 /nfs/dbraw/zinc/52/11/81/396521181.db2.gz QMMWMYGOXIDUFQ-NWDGAFQWSA-N 0 0 316.398 0.588 10 0 DCAERN CC(=O)CSCC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000292018668 396525585 /nfs/dbraw/zinc/52/55/85/396525585.db2.gz OFRPSYIFMLWVGJ-UHFFFAOYSA-N 0 0 323.374 0.843 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594856255 396528657 /nfs/dbraw/zinc/52/86/57/396528657.db2.gz KUYQNCUONKWACB-LLVKDONJSA-N 0 0 310.391 0.798 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(-n2cncn2)cc1 ZINC000372646776 396533790 /nfs/dbraw/zinc/53/37/90/396533790.db2.gz CSVUFOUCRPAPCO-GJZGRUSLSA-N 0 0 316.361 0.766 10 0 DCAERN COC[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000372762972 396544040 /nfs/dbraw/zinc/54/40/40/396544040.db2.gz GUOLNTQMMVZVCA-GXSJLCMTSA-N 0 0 322.365 0.908 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)NCCCC2CC2)CC1 ZINC000561899224 396649037 /nfs/dbraw/zinc/64/90/37/396649037.db2.gz SYQDKSJSVNNMID-UHFFFAOYSA-N 0 0 303.428 0.900 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562032317 396650189 /nfs/dbraw/zinc/65/01/89/396650189.db2.gz ARQRWUXGUHEABA-GJZGRUSLSA-N 0 0 323.437 0.614 10 0 DCAERN COC(=O)CC1(CC(=O)N2CCO[C@@H](C(N)=O)C2)CCCC1 ZINC000373649285 396605107 /nfs/dbraw/zinc/60/51/07/396605107.db2.gz MXWZBNOJYAGPIR-LLVKDONJSA-N 0 0 312.366 0.213 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000562304271 396656282 /nfs/dbraw/zinc/65/62/82/396656282.db2.gz XCKSOCDDGXWBHC-LSDHHAIUSA-N 0 0 321.425 0.815 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC000373727116 396610275 /nfs/dbraw/zinc/61/02/75/396610275.db2.gz KNAVHIKHRDVMLS-RYUDHWBXSA-N 0 0 305.382 0.366 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000560485021 396616858 /nfs/dbraw/zinc/61/68/58/396616858.db2.gz NFFBKNIZEHTPNP-YHUYYLMFSA-N 0 0 315.410 0.423 10 0 DCAERN CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000584798438 396625189 /nfs/dbraw/zinc/62/51/89/396625189.db2.gz UTPSZRLUQNSMGS-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN Cc1cc(CCNC(=O)[C@@H]2COCCN2CC(F)F)on1 ZINC000561333250 396639791 /nfs/dbraw/zinc/63/97/91/396639791.db2.gz PJEDHPOYFFWXOV-NSHDSACASA-N 0 0 303.309 0.608 10 0 DCAERN CN(C)C(=O)COc1ccc(NC(=O)N(C)CCCO)cc1 ZINC000562457539 396665788 /nfs/dbraw/zinc/66/57/88/396665788.db2.gz DTWXIJLIQTWMBE-UHFFFAOYSA-N 0 0 309.366 1.000 10 0 DCAERN CS(=O)(=O)NCCNC(=O)Nc1cccc2c1OCCC2 ZINC000374560978 396672166 /nfs/dbraw/zinc/67/21/66/396672166.db2.gz FVERKUYMZKSFBE-UHFFFAOYSA-N 0 0 313.379 0.682 10 0 DCAERN C[C@@H]1C[C@H](CCNC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000374606208 396676059 /nfs/dbraw/zinc/67/60/59/396676059.db2.gz RXPISWRDGQEMHW-LPWJVIDDSA-N 0 0 313.398 0.476 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000562729570 396676972 /nfs/dbraw/zinc/67/69/72/396676972.db2.gz NSFUZMFGHMHIAE-ZJUUUORDSA-N 0 0 306.370 0.522 10 0 DCAERN COCCCOCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374846439 396691819 /nfs/dbraw/zinc/69/18/19/396691819.db2.gz ZIBYFMZCQZKCIN-HIFRSBDPSA-N 0 0 315.410 0.723 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374968772 396702278 /nfs/dbraw/zinc/70/22/78/396702278.db2.gz JKCRPEXWRZKCGF-AWEZNQCLSA-N 0 0 314.389 0.888 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000375002410 396703255 /nfs/dbraw/zinc/70/32/55/396703255.db2.gz CAAPYMSFWAPVBK-SNVBAGLBSA-N 0 0 304.354 0.427 10 0 DCAERN CCC[C@@]1(C)NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047760 396706543 /nfs/dbraw/zinc/70/65/43/396706543.db2.gz FHRPTOWWAODLPE-BLLLJJGKSA-N 0 0 323.393 0.877 10 0 DCAERN CC[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)OC ZINC000300177319 396714892 /nfs/dbraw/zinc/71/48/92/396714892.db2.gz XDAPPQMFHXCDKX-IJLUTSLNSA-N 0 0 305.396 0.769 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000300158378 396714972 /nfs/dbraw/zinc/71/49/72/396714972.db2.gz CJZNBWPWUCONHB-QCNOEVLYSA-N 0 0 305.396 0.361 10 0 DCAERN CC(=O)c1csc(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC000617712492 396785639 /nfs/dbraw/zinc/78/56/39/396785639.db2.gz XDGRHQZYXFNWOJ-AWEZNQCLSA-N 0 0 313.375 0.849 10 0 DCAERN Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)c(=O)n1C ZINC000563888757 396790037 /nfs/dbraw/zinc/79/00/37/396790037.db2.gz KLCZXNNQFSQISS-ZDUSSCGKSA-N 0 0 300.362 0.769 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000375371208 396733801 /nfs/dbraw/zinc/73/38/01/396733801.db2.gz UCOCAYSFGNYXBZ-LBPRGKRZSA-N 0 0 305.382 0.348 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375487402 396756874 /nfs/dbraw/zinc/75/68/74/396756874.db2.gz QKWRXJZGMJJPSL-NSHDSACASA-N 0 0 321.381 0.924 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000625050789 396758529 /nfs/dbraw/zinc/75/85/29/396758529.db2.gz WQMKMZRRUAXMLL-CQSZACIVSA-N 0 0 322.409 0.404 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)nc1 ZINC000590330499 396758911 /nfs/dbraw/zinc/75/89/11/396758911.db2.gz MCFYKSKXYVBVOQ-MRXNPFEDSA-N 0 0 320.345 0.890 10 0 DCAERN CC(=O)CCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000629438392 396761009 /nfs/dbraw/zinc/76/10/09/396761009.db2.gz DHJBPIFHCGHIKY-HNNXBMFYSA-N 0 0 305.378 0.768 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000625086889 396768314 /nfs/dbraw/zinc/76/83/14/396768314.db2.gz BQDVCWHOHKSVEW-STQMWFEESA-N 0 0 318.439 0.684 10 0 DCAERN Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000328634571 396826224 /nfs/dbraw/zinc/82/62/24/396826224.db2.gz UEZWRMWSUDDZFG-GFCCVEGCSA-N 0 0 322.390 0.966 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCC[C@H](c4nnc[nH]4)C3)C2=O)cn1 ZINC000328680911 396831241 /nfs/dbraw/zinc/83/12/41/396831241.db2.gz UWOHELIVQZYVFD-WCQYABFASA-N 0 0 315.381 0.523 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)OC)C[C@H]1N1CCOCC1 ZINC000375862566 396835257 /nfs/dbraw/zinc/83/52/57/396835257.db2.gz SKEVQPZBLSQQFD-APIJFGDWSA-N 0 0 324.421 0.755 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CCNC(=O)CC3)[C@@H]2C1 ZINC000564635361 396848556 /nfs/dbraw/zinc/84/85/56/396848556.db2.gz UYHJLNPPZGCQHZ-BFHYXJOUSA-N 0 0 322.409 0.165 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000564057967 396806041 /nfs/dbraw/zinc/80/60/41/396806041.db2.gz XEUXNJFGGDRYRR-ZUZCIYMTSA-N 0 0 308.382 0.805 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000634235092 396817483 /nfs/dbraw/zinc/81/74/83/396817483.db2.gz BUDLQYNCYHELJF-LOWVWBTDSA-N 0 0 322.327 0.874 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000600582992 396893230 /nfs/dbraw/zinc/89/32/30/396893230.db2.gz FWZJFZIUDQEDLK-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN Cn1ccc(CC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)n1 ZINC000376259178 396902012 /nfs/dbraw/zinc/90/20/12/396902012.db2.gz XPKCKFWZIMUBPG-OAHLLOKOSA-N 0 0 303.366 0.470 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCS(=O)(=O)CC1 ZINC000333193890 396919910 /nfs/dbraw/zinc/91/99/10/396919910.db2.gz SVIFLMFCRLIOGU-GRYCIOLGSA-N 0 0 307.437 0.625 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C2(n3cnnn3)CC2)c1 ZINC000611748171 396922980 /nfs/dbraw/zinc/92/29/80/396922980.db2.gz XSKYQELTRHITAU-UHFFFAOYSA-N 0 0 300.322 0.784 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC(C)(c2ccccc2F)C1 ZINC000376457809 396932389 /nfs/dbraw/zinc/93/23/89/396932389.db2.gz KFCUVTCVWKRONE-JTQLQIEISA-N 0 0 314.382 0.863 10 0 DCAERN O=C(CN1CCOCC2(CC2)C1)NC(=O)NCc1ccco1 ZINC000611815573 396933403 /nfs/dbraw/zinc/93/34/03/396933403.db2.gz OFNJHLBSKHXJTQ-UHFFFAOYSA-N 0 0 307.350 0.718 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@](F)(CO)C1 ZINC000376516480 396939689 /nfs/dbraw/zinc/93/96/89/396939689.db2.gz BGGFIUCWRSNDFU-MFKMUULPSA-N 0 0 324.418 0.273 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376566821 396947537 /nfs/dbraw/zinc/94/75/37/396947537.db2.gz XIGSEYALARBEKV-RWMBFGLXSA-N 0 0 308.378 0.657 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376721328 396968430 /nfs/dbraw/zinc/96/84/30/396968430.db2.gz CZZXMOIWPKGILC-DGCLKSJQSA-N 0 0 307.398 0.735 10 0 DCAERN Cc1ncc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C)n1 ZINC000618675574 397009572 /nfs/dbraw/zinc/00/95/72/397009572.db2.gz HDSDCKSJOJDMNP-SECBINFHSA-N 0 0 312.395 0.199 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676085 397010334 /nfs/dbraw/zinc/01/03/34/397010334.db2.gz MRLKIILIVBAROL-LLVKDONJSA-N 0 0 318.439 0.874 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OCC(C)C ZINC000618754143 397023185 /nfs/dbraw/zinc/02/31/85/397023185.db2.gz DHSISOKFHCAZSB-GRYCIOLGSA-N 0 0 316.398 0.620 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)NCc2cn(C)nn2)c1 ZINC000611984978 396972254 /nfs/dbraw/zinc/97/22/54/396972254.db2.gz SGZKQRDVVMAYBC-UHFFFAOYSA-N 0 0 303.322 0.625 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCC(=O)N(C)CC2)cc1 ZINC000619060849 397075413 /nfs/dbraw/zinc/07/54/13/397075413.db2.gz GZYFSJFTUOIABQ-UHFFFAOYSA-N 0 0 303.362 0.974 10 0 DCAERN CC(=O)[C@@H](C)CCCCc1nc(-c2ncn(CC(N)=O)n2)no1 ZINC000350511628 397090475 /nfs/dbraw/zinc/09/04/75/397090475.db2.gz RCOMZURTACYRQM-VIFPVBQESA-N 0 0 320.353 0.751 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000612571704 397097430 /nfs/dbraw/zinc/09/74/30/397097430.db2.gz CQHVEZYJZKBRBJ-LLVKDONJSA-N 0 0 322.365 0.658 10 0 DCAERN CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630575422 397050006 /nfs/dbraw/zinc/05/00/06/397050006.db2.gz ZHNCDNKGBQXCNR-KGLIPLIRSA-N 0 0 307.394 0.767 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000630572109 397050401 /nfs/dbraw/zinc/05/04/01/397050401.db2.gz ZXJUGNFSKBHGRA-CABCVRRESA-N 0 0 319.405 0.911 10 0 DCAERN c1c([C@H]2COCCN2)nnn1C[C@H]1COc2ccccc2O1 ZINC000630604380 397059637 /nfs/dbraw/zinc/05/96/37/397059637.db2.gz VZSJHRPWGFFOQG-WCQYABFASA-N 0 0 302.334 0.779 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000619451779 397132370 /nfs/dbraw/zinc/13/23/70/397132370.db2.gz NWJOZPXEBHGLAS-WXHSDQCUSA-N 0 0 322.336 0.917 10 0 DCAERN CC1(C)C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C(C)(C)O1 ZINC000573156441 397139568 /nfs/dbraw/zinc/13/95/68/397139568.db2.gz GAFUMYLISFUGRZ-CYBMUJFWSA-N 0 0 323.437 0.755 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000619515168 397143917 /nfs/dbraw/zinc/14/39/17/397143917.db2.gz RHYBNZKGUKPPRO-CYDGBPFRSA-N 0 0 305.346 0.128 10 0 DCAERN c1nc2n(n1)[C@@H](CSc1nnnn1C1CCOCC1)CC2 ZINC000631010817 397155900 /nfs/dbraw/zinc/15/59/00/397155900.db2.gz QUBBIIMVPNYBND-SNVBAGLBSA-N 0 0 307.383 0.896 10 0 DCAERN CN(CC(=O)N[C@H]1CCN(c2ccccc2)C1=O)C(=O)C1CC1 ZINC000598122282 397175911 /nfs/dbraw/zinc/17/59/11/397175911.db2.gz LIYPUOWMGSORAE-AWEZNQCLSA-N 0 0 315.373 0.777 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000364398150 397195381 /nfs/dbraw/zinc/19/53/81/397195381.db2.gz FQQSDIBIUMDHNM-MNOVXSKESA-N 0 0 320.397 0.766 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)CC1=O ZINC000378166126 397204144 /nfs/dbraw/zinc/20/41/44/397204144.db2.gz OVVLHNFWIBNLQM-LEKOTGGOSA-N 0 0 317.393 0.576 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000364500128 397210248 /nfs/dbraw/zinc/21/02/48/397210248.db2.gz BCLWMFWQKNYUJY-AWEZNQCLSA-N 0 0 324.402 0.726 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000626692532 397220442 /nfs/dbraw/zinc/22/04/42/397220442.db2.gz KQKUYNRMKHUOCS-GDNZZTSVSA-N 0 0 309.410 0.711 10 0 DCAERN C[C@H](C(=O)N(C)[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000364581890 397223989 /nfs/dbraw/zinc/22/39/89/397223989.db2.gz ZMADKRUOMYSGGL-MNOVXSKESA-N 0 0 309.366 0.487 10 0 DCAERN CS(=O)(=O)C1(C(=O)NCc2cn3c(n2)CCCC3)CCC1 ZINC000574101320 397235974 /nfs/dbraw/zinc/23/59/74/397235974.db2.gz VTPYNYBAPXKXOW-UHFFFAOYSA-N 0 0 311.407 0.803 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCOCC[C@@H]2C)C1 ZINC000378486798 397246087 /nfs/dbraw/zinc/24/60/87/397246087.db2.gz DLBPMTVIAHUDNP-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000576684835 397315647 /nfs/dbraw/zinc/31/56/47/397315647.db2.gz LZTDDPNDJXKQFN-JTQLQIEISA-N 0 0 314.345 0.891 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC000365615851 397301385 /nfs/dbraw/zinc/30/13/85/397301385.db2.gz ZZAIBTQEWNFFNM-YRGRVCCFSA-N 0 0 322.386 0.519 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)c1ccnc2c1CC(=O)N2 ZINC000613412767 397255527 /nfs/dbraw/zinc/25/55/27/397255527.db2.gz FFWLQYNDEPOHPC-SNVBAGLBSA-N 0 0 303.318 0.396 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000365278638 397259647 /nfs/dbraw/zinc/25/96/47/397259647.db2.gz NGTYBKRLKVCFJW-CYBMUJFWSA-N 0 0 312.391 0.475 10 0 DCAERN O=S1(=O)CCCN1CCN1CC[C@](O)(C(F)(F)F)C1 ZINC000407948252 397331975 /nfs/dbraw/zinc/33/19/75/397331975.db2.gz UUFPWSFDXTUWLG-SECBINFHSA-N 0 0 302.318 0.021 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(C2CC2)C(=O)C1 ZINC000407953926 397334798 /nfs/dbraw/zinc/33/47/98/397334798.db2.gz CPAQNFUURPKUAA-LLVKDONJSA-N 0 0 303.366 0.283 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407954195 397335013 /nfs/dbraw/zinc/33/50/13/397335013.db2.gz DWPJOUOMCQCVKG-NSHDSACASA-N 0 0 301.412 0.412 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407952936 397335213 /nfs/dbraw/zinc/33/52/13/397335213.db2.gz AWJNVKCLGZSOOV-UHFFFAOYSA-N 0 0 315.439 0.802 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(C2CC2)C(=O)C1 ZINC000407956700 397336257 /nfs/dbraw/zinc/33/62/57/397336257.db2.gz JSRJAWDNOJKALJ-LLVKDONJSA-N 0 0 303.366 0.283 10 0 DCAERN C[C@H]1CN(CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194806 397336811 /nfs/dbraw/zinc/33/68/11/397336811.db2.gz ARTGAMRUVDHAMK-ZDUSSCGKSA-N 0 0 302.378 0.873 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC(=O)NC1 ZINC000407960469 397337970 /nfs/dbraw/zinc/33/79/70/397337970.db2.gz WDOINYABRJYRGJ-NWDGAFQWSA-N 0 0 308.300 0.819 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000407961076 397337992 /nfs/dbraw/zinc/33/79/92/397337992.db2.gz AGANRIWLLCNYDB-YNEHKIRRSA-N 0 0 303.424 0.963 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000407961957 397338214 /nfs/dbraw/zinc/33/82/14/397338214.db2.gz KYRQMILIOWGDEK-UMSGYPCISA-N 0 0 313.398 0.082 10 0 DCAERN CC(=O)CSCC(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000593237273 397340504 /nfs/dbraw/zinc/34/05/04/397340504.db2.gz HHGWDJSBEWYNEY-UHFFFAOYSA-N 0 0 308.407 0.895 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000407969930 397341647 /nfs/dbraw/zinc/34/16/47/397341647.db2.gz AFAMWTCTNBPZQG-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN CNS(=O)(=O)NCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000407996715 397343873 /nfs/dbraw/zinc/34/38/73/397343873.db2.gz TUJITZXJYSFBME-UHFFFAOYSA-N 0 0 315.439 0.229 10 0 DCAERN COc1cc(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)ccn1 ZINC000613919979 397347226 /nfs/dbraw/zinc/34/72/26/397347226.db2.gz NRGIQKDTNYMATF-CYBMUJFWSA-N 0 0 303.362 0.856 10 0 DCAERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC000408220916 397350559 /nfs/dbraw/zinc/35/05/59/397350559.db2.gz ATTIMODVTGLIMR-FZMZJTMJSA-N 0 0 320.455 0.571 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)CCS1(=O)=O ZINC000408331594 397352954 /nfs/dbraw/zinc/35/29/54/397352954.db2.gz ROQMLVSRFJFXPF-VIFPVBQESA-N 0 0 300.384 0.292 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc2n1CCOC2 ZINC000408404521 397355971 /nfs/dbraw/zinc/35/59/71/397355971.db2.gz GEFLUNLCDBDAPG-SUNKGSAMSA-N 0 0 306.366 0.582 10 0 DCAERN C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408427080 397356556 /nfs/dbraw/zinc/35/65/56/397356556.db2.gz MLLQOKNUCYUZKT-PEBLQZBPSA-N 0 0 320.455 0.822 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CCSCC1 ZINC000365851146 397324428 /nfs/dbraw/zinc/32/44/28/397324428.db2.gz HUGCNCVDALFFKB-GFCCVEGCSA-N 0 0 313.423 0.525 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100566 397325950 /nfs/dbraw/zinc/32/59/50/397325950.db2.gz LCKGSTMBKZVVHE-FELRVUOQSA-N 0 0 323.414 0.834 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000614419677 397435107 /nfs/dbraw/zinc/43/51/07/397435107.db2.gz SWKGTCIPMIYSPD-GMTAPVOTSA-N 0 0 309.366 0.248 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000614445696 397439109 /nfs/dbraw/zinc/43/91/09/397439109.db2.gz HCPZBXWORGTYMG-GFCCVEGCSA-N 0 0 311.382 0.056 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1CC(=O)N1CCN(C)CC1 ZINC000369713000 397444164 /nfs/dbraw/zinc/44/41/64/397444164.db2.gz RXLGSHFFRIIPLZ-HNNXBMFYSA-N 0 0 305.426 0.721 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)nc1 ZINC000487090755 397465516 /nfs/dbraw/zinc/46/55/16/397465516.db2.gz DOOKDKLYQBDXCV-NXEZZACHSA-N 0 0 323.349 0.276 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccoc1 ZINC000487137567 397467042 /nfs/dbraw/zinc/46/70/42/397467042.db2.gz LTUGTCFVNQKDCN-GHMZBOCLSA-N 0 0 310.350 0.785 10 0 DCAERN CCCCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000487334864 397470044 /nfs/dbraw/zinc/47/00/44/397470044.db2.gz MLHGZRCFDQRDKO-QWRGUYRKSA-N 0 0 322.427 0.552 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](CO)OC[C@H]2C)s1 ZINC000602786105 397484599 /nfs/dbraw/zinc/48/45/99/397484599.db2.gz MSHJBTGFKOZFLP-NXEZZACHSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnc(C)s1 ZINC000488294042 397488661 /nfs/dbraw/zinc/48/86/61/397488661.db2.gz KKQLJIVLCKNLCE-YUMQZZPRSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cc(C)on1 ZINC000488289491 397489226 /nfs/dbraw/zinc/48/92/26/397489226.db2.gz UEBIWHAYBKIDIT-VHSXEESVSA-N 0 0 311.338 0.098 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)COC1CCCC1 ZINC000488313809 397489305 /nfs/dbraw/zinc/48/93/05/397489305.db2.gz XMXSGHCYAPBDBB-WDEREUQCSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(SC)CC1 ZINC000488336604 397490521 /nfs/dbraw/zinc/49/05/21/397490521.db2.gz ZUHASWYTLBIAOV-DTWKUNHWSA-N 0 0 302.396 0.455 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC000614651110 397491287 /nfs/dbraw/zinc/49/12/87/397491287.db2.gz WVXTVXHUKCHMTO-GFCCVEGCSA-N 0 0 312.410 0.897 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ncccc1CC ZINC000488268480 397487498 /nfs/dbraw/zinc/48/74/98/397487498.db2.gz XCEZORRCOQQBGQ-QWRGUYRKSA-N 0 0 321.377 0.830 10 0 DCAERN COC(=O)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000578896708 397501051 /nfs/dbraw/zinc/50/10/51/397501051.db2.gz XJSRLPJEWZAXTR-UHFFFAOYSA-N 0 0 304.306 0.342 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000578931565 397502699 /nfs/dbraw/zinc/50/26/99/397502699.db2.gz MDGIAGSUIVGPBO-WDEREUQCSA-N 0 0 319.409 0.787 10 0 DCAERN CC(C)(COCc1ccccc1)C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000370580091 397504278 /nfs/dbraw/zinc/50/42/78/397504278.db2.gz QCIKTENAIPMAMK-KRWDZBQOSA-N 0 0 320.389 0.678 10 0 DCAERN CN(CCCO)C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000579071414 397519788 /nfs/dbraw/zinc/51/97/88/397519788.db2.gz RDWUOCHGXCVSMT-ZDUSSCGKSA-N 0 0 317.389 0.843 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)[nH]1 ZINC000605097439 397660491 /nfs/dbraw/zinc/66/04/91/397660491.db2.gz XAIHHMDQORXANU-ZDUSSCGKSA-N 0 0 301.350 0.900 10 0 DCAERN Cc1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c(=O)n1C ZINC000579861829 397596692 /nfs/dbraw/zinc/59/66/92/397596692.db2.gz SBXDEHRECMMJQT-UHFFFAOYSA-N 0 0 318.377 0.210 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CNC(=O)CC2CCCC2)CC1=O ZINC000608219155 397721244 /nfs/dbraw/zinc/72/12/44/397721244.db2.gz DIFQXGRAGWZOHN-XBFCOCLRSA-N 0 0 321.421 0.808 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608399632 397728509 /nfs/dbraw/zinc/72/85/09/397728509.db2.gz GFLZWOKMZRMNQZ-UZWSLXQKSA-N 0 0 305.382 0.869 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H](C)Cn1cncn1 ZINC000608425381 397729278 /nfs/dbraw/zinc/72/92/78/397729278.db2.gz YPTVWQXGXMULES-MNOVXSKESA-N 0 0 319.413 0.947 10 0 DCAERN Cc1nnc(CN2CCN([C@@H](C)C(=O)NC(C)(C)C)CC2)[nH]1 ZINC000605422865 397665040 /nfs/dbraw/zinc/66/50/40/397665040.db2.gz YXMQLPJSQKDXIR-NSHDSACASA-N 0 0 308.430 0.534 10 0 DCAERN CN(CC(=O)Nc1ccc2nccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000606533168 397683484 /nfs/dbraw/zinc/68/34/84/397683484.db2.gz JEQPEGREFVIJBF-GFCCVEGCSA-N 0 0 322.390 0.392 10 0 DCAERN Cc1ccn(-c2ccc(N(C)C[C@@H]3CCS(=O)(=O)C3)nn2)n1 ZINC000607148577 397697214 /nfs/dbraw/zinc/69/72/14/397697214.db2.gz ZFMGCFNEBVBXLN-LBPRGKRZSA-N 0 0 321.406 0.842 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1Cc2cnnn2Cc2ccccc21 ZINC000189038652 304352544 /nfs/dbraw/zinc/35/25/44/304352544.db2.gz MBYWCAOTBGMROM-LLVKDONJSA-N 0 0 311.345 0.699 10 0 DCAERN COCC1(O)CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333120407 292254623 /nfs/dbraw/zinc/25/46/23/292254623.db2.gz GLEMJPXAWGGLOZ-FRRDWIJNSA-N 0 0 303.424 0.978 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2[C@@H](C)COC[C@@H]2C)CC1 ZINC000130908991 286660928 /nfs/dbraw/zinc/66/09/28/286660928.db2.gz OWWPKJSGDXBYCI-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000042761987 157994786 /nfs/dbraw/zinc/99/47/86/157994786.db2.gz URPZNBUGHQABNF-CMPLNLGQSA-N 0 0 321.352 0.668 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000046491248 158001491 /nfs/dbraw/zinc/00/14/91/158001491.db2.gz OVZLXFODTLJTSL-HZSPNIEDSA-N 0 0 310.394 0.651 10 0 DCAERN CC(C)c1nc(CN2CCN(S(N)(=O)=O)CC2)cs1 ZINC000048571390 158006503 /nfs/dbraw/zinc/00/65/03/158006503.db2.gz MGWXZUJXBPDTKF-UHFFFAOYSA-N 0 0 304.441 0.588 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)NCc2cscn2)C1=O ZINC000050408546 158011813 /nfs/dbraw/zinc/01/18/13/158011813.db2.gz KEQWEHIFUCTWEU-UHFFFAOYSA-N 0 0 310.379 0.870 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000055139026 158021779 /nfs/dbraw/zinc/02/17/79/158021779.db2.gz VGOKSNRJUKUQFR-ONGXEEELSA-N 0 0 309.391 0.272 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@@H]1COc2ccccc21 ZINC000058728142 158027320 /nfs/dbraw/zinc/02/73/20/158027320.db2.gz REDJWGNNPQTIIQ-GFCCVEGCSA-N 0 0 310.313 0.746 10 0 DCAERN Cc1noc(CCNS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000064345051 158033269 /nfs/dbraw/zinc/03/32/69/158033269.db2.gz UHQDFSYUEPZSHQ-AOOOYVTPSA-N 0 0 302.400 0.733 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC(C)(C)C(N)=O)C2)cn1 ZINC000073752336 158057585 /nfs/dbraw/zinc/05/75/85/158057585.db2.gz LOXPOKLBZSIKBP-LLVKDONJSA-N 0 0 322.413 0.200 10 0 DCAERN CCCS(=O)(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000075041748 158060333 /nfs/dbraw/zinc/06/03/33/158060333.db2.gz KMILWTDYYBWPKQ-UHFFFAOYSA-N 0 0 311.407 0.969 10 0 DCAERN O=C(c1ccccn1)N1CCCN(C(=O)[C@H]2CSCN2)CC1 ZINC000075050698 158060866 /nfs/dbraw/zinc/06/08/66/158060866.db2.gz KZDRFZRDLIKQGS-CYBMUJFWSA-N 0 0 320.418 0.419 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076418404 158064501 /nfs/dbraw/zinc/06/45/01/158064501.db2.gz QUTBWUOGYBXIOL-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077679271 158069060 /nfs/dbraw/zinc/06/90/60/158069060.db2.gz UKQOSDQQNSOBDI-SNVBAGLBSA-N 0 0 304.306 0.562 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](C)CO ZINC000077827025 158070204 /nfs/dbraw/zinc/07/02/04/158070204.db2.gz HGMZIBBTNSOACV-IWSPIJDZSA-N 0 0 311.304 0.466 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 ZINC000078325502 158073301 /nfs/dbraw/zinc/07/33/01/158073301.db2.gz SBKYXDHDVCTOIV-AWEZNQCLSA-N 0 0 312.410 0.899 10 0 DCAERN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000079127271 158077763 /nfs/dbraw/zinc/07/77/63/158077763.db2.gz TYKNMIWHEXAVSM-DCVWQXJKSA-N 0 0 315.439 0.598 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC000079684691 158078997 /nfs/dbraw/zinc/07/89/97/158078997.db2.gz JHFHNOOZJSJLOO-AAEUAGOBSA-N 0 0 310.398 0.307 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@@H]2CN(C)CCO2)c2ccccc2)[nH]1 ZINC000081028725 158082376 /nfs/dbraw/zinc/08/23/76/158082376.db2.gz OJQJATRBNKIDNB-KBPBESRZSA-N 0 0 315.377 0.649 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081471707 158083528 /nfs/dbraw/zinc/08/35/28/158083528.db2.gz YRYVNOIJRITHKN-NSHDSACASA-N 0 0 311.304 0.467 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081476055 158084455 /nfs/dbraw/zinc/08/44/55/158084455.db2.gz RZQPCSIUHXAVJM-LDYMZIIASA-N 0 0 309.288 0.364 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000087142355 158092124 /nfs/dbraw/zinc/09/21/24/158092124.db2.gz BECBXUYPTDHWFY-CYBMUJFWSA-N 0 0 318.377 0.703 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000088200100 158092994 /nfs/dbraw/zinc/09/29/94/158092994.db2.gz AEPYZUSHRSTOSZ-MNOVXSKESA-N 0 0 320.397 0.582 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCc1ccsc1 ZINC000088771524 158094768 /nfs/dbraw/zinc/09/47/68/158094768.db2.gz LIUWTJBAWNWULQ-UHFFFAOYSA-N 0 0 306.409 0.620 10 0 DCAERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H]1COCCN1 ZINC000088358603 158094887 /nfs/dbraw/zinc/09/48/87/158094887.db2.gz AJNKIHLLSMTDOO-JTQLQIEISA-N 0 0 311.725 0.598 10 0 DCAERN O=C(CO)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000089549555 158098783 /nfs/dbraw/zinc/09/87/83/158098783.db2.gz CBTHVIPSABYDHX-CYBMUJFWSA-N 0 0 318.373 0.606 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000090063495 158101310 /nfs/dbraw/zinc/10/13/10/158101310.db2.gz QFJXFEMMSWWAOA-SECBINFHSA-N 0 0 311.773 0.359 10 0 DCAERN CCCNC(=O)CCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091027367 158106699 /nfs/dbraw/zinc/10/66/99/158106699.db2.gz VPCNYHSKWXKTDT-UHFFFAOYSA-N 0 0 316.361 0.649 10 0 DCAERN CCCNC(=O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000090996674 158106976 /nfs/dbraw/zinc/10/69/76/158106976.db2.gz QVKNDJITKPBRSW-UHFFFAOYSA-N 0 0 302.334 0.259 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074063 158107113 /nfs/dbraw/zinc/10/71/13/158107113.db2.gz QBHOSTVEBIKNJU-ZYHUDNBSSA-N 0 0 321.402 0.845 10 0 DCAERN CC(C)(C)c1noc(CCCC(=O)N2CCOC[C@H]2C(N)=O)n1 ZINC000091785730 158110714 /nfs/dbraw/zinc/11/07/14/158110714.db2.gz OMXAZOKCYDJZLY-JTQLQIEISA-N 0 0 324.381 0.403 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000092229644 158112384 /nfs/dbraw/zinc/11/23/84/158112384.db2.gz LABDWIHIZOYKMK-CQSZACIVSA-N 0 0 304.325 0.698 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092642730 158115466 /nfs/dbraw/zinc/11/54/66/158115466.db2.gz FLCMUYKNENOOOA-BXKDBHETSA-N 0 0 315.333 0.034 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701136 158121073 /nfs/dbraw/zinc/12/10/73/158121073.db2.gz CFNFPRBXMGBSFX-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCCO ZINC000094946141 158123824 /nfs/dbraw/zinc/12/38/24/158123824.db2.gz VROXKLBUXWCTBV-NWDGAFQWSA-N 0 0 306.428 0.468 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000097602765 158125256 /nfs/dbraw/zinc/12/52/56/158125256.db2.gz VZCWDJMHTPZMKS-LBPRGKRZSA-N 0 0 304.412 0.848 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(n2ccnc2)CC1 ZINC000101866418 158127324 /nfs/dbraw/zinc/12/73/24/158127324.db2.gz NIFFMTJPUYPFJA-CYBMUJFWSA-N 0 0 308.407 0.968 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H](n2cncn2)C1 ZINC000105898593 158132496 /nfs/dbraw/zinc/13/24/96/158132496.db2.gz BEIQXDZCGYTNBN-RYUDHWBXSA-N 0 0 301.354 0.732 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000106759675 158133803 /nfs/dbraw/zinc/13/38/03/158133803.db2.gz YMXGMENKZFYYSR-IHRRRGAJSA-N 0 0 304.346 0.511 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112653798 158143943 /nfs/dbraw/zinc/14/39/43/158143943.db2.gz BOGHROPRQFYIGN-CYBMUJFWSA-N 0 0 313.361 0.068 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(=O)[nH]n1 ZINC000114442600 158153281 /nfs/dbraw/zinc/15/32/81/158153281.db2.gz MRLWYDLIROBPFO-ZDUSSCGKSA-N 0 0 312.329 0.695 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114836505 158157914 /nfs/dbraw/zinc/15/79/14/158157914.db2.gz WYZRYJZCROXQAA-CHWSQXEVSA-N 0 0 310.398 0.306 10 0 DCAERN CC(C)NC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000114907996 158159006 /nfs/dbraw/zinc/15/90/06/158159006.db2.gz KVZBOIUQKNWGLB-UHFFFAOYSA-N 0 0 310.442 0.981 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1c(C)nn(C)c1C)CC2 ZINC000114864350 158159371 /nfs/dbraw/zinc/15/93/71/158159371.db2.gz ROYFITCQOXTGRI-LBPRGKRZSA-N 0 0 316.409 0.865 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000116833965 158167523 /nfs/dbraw/zinc/16/75/23/158167523.db2.gz GLVFNLRPKPUDII-GFCCVEGCSA-N 0 0 308.403 0.939 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116831063 158167678 /nfs/dbraw/zinc/16/76/78/158167678.db2.gz MVQCYJIRJCTJCB-MRVPVSSYSA-N 0 0 321.786 0.329 10 0 DCAERN COCCNC(=O)CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117747579 158173036 /nfs/dbraw/zinc/17/30/36/158173036.db2.gz FRADRCUEPGGEMC-LBPRGKRZSA-N 0 0 306.362 0.822 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000117752132 158173634 /nfs/dbraw/zinc/17/36/34/158173634.db2.gz CWDNCWPXKPWIGQ-BLLLJJGKSA-N 0 0 318.373 0.916 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCn2cc(C)cn2)c1 ZINC000117819300 158174329 /nfs/dbraw/zinc/17/43/29/158174329.db2.gz SDJIHYIJYNBRNV-UHFFFAOYSA-N 0 0 322.390 0.530 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC000119015553 158181248 /nfs/dbraw/zinc/18/12/48/158181248.db2.gz HCPWVOIAEOVDAY-KBPBESRZSA-N 0 0 317.389 0.328 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)Nc1cc(CCOC)nn1C ZINC000119283164 158185539 /nfs/dbraw/zinc/18/55/39/158185539.db2.gz TXLLMIGWLYZAPE-LBPRGKRZSA-N 0 0 323.397 0.741 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cccc(-n2cccn2)n1 ZINC000119423696 158187432 /nfs/dbraw/zinc/18/74/32/158187432.db2.gz JDWMTRSVHFHTKJ-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCCN2CCCC2=O)C1 ZINC000119882757 158190914 /nfs/dbraw/zinc/19/09/14/158190914.db2.gz ZWHDPULMFHJUTE-BETUJISGSA-N 0 0 317.455 0.811 10 0 DCAERN CC(C)C[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000120120302 158193476 /nfs/dbraw/zinc/19/34/76/158193476.db2.gz HWMXHBKQGWVKEZ-QWHCGFSZSA-N 0 0 319.409 0.860 10 0 DCAERN CCOCCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120057942 158193683 /nfs/dbraw/zinc/19/36/83/158193683.db2.gz GYUUKGAWVOOCLB-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NC[C@]1(CCO)CCOC1 ZINC000120184189 158195482 /nfs/dbraw/zinc/19/54/82/158195482.db2.gz JSYRCVADVORIIG-AWEZNQCLSA-N 0 0 320.455 0.874 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCc1nccc(N)n1)c1ccccc1 ZINC000120464231 158199348 /nfs/dbraw/zinc/19/93/48/158199348.db2.gz XTNBECCHXIVJDL-CYBMUJFWSA-N 0 0 313.361 0.943 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1=O ZINC000120871011 158205717 /nfs/dbraw/zinc/20/57/17/158205717.db2.gz LEYQVXRQHPHERB-BLLLJJGKSA-N 0 0 318.373 0.868 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@@H](c3nccs3)C2)CC1 ZINC000121050410 158206614 /nfs/dbraw/zinc/20/66/14/158206614.db2.gz ZDPGGFWKDXDCTK-GFCCVEGCSA-N 0 0 310.423 0.290 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000121561041 158211765 /nfs/dbraw/zinc/21/17/65/158211765.db2.gz LZRBSOYZCMCGGQ-LLVKDONJSA-N 0 0 304.354 0.745 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000121745272 158214513 /nfs/dbraw/zinc/21/45/13/158214513.db2.gz FVBKVUXJMGIJHU-VXGBXAGGSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000121737569 158214611 /nfs/dbraw/zinc/21/46/11/158214611.db2.gz XPIRXXYPXQJKGL-NSHDSACASA-N 0 0 306.362 0.683 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CNC(=O)c1ccsc1 ZINC000121841308 158215698 /nfs/dbraw/zinc/21/56/98/158215698.db2.gz YPYGRHASOQXIMV-LBPRGKRZSA-N 0 0 310.375 0.684 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N[C@H]1CCc2ncnn2C1 ZINC000122032550 158217293 /nfs/dbraw/zinc/21/72/93/158217293.db2.gz OXSSYGNUCFWQLC-NWDGAFQWSA-N 0 0 309.370 0.088 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)O1 ZINC000122057371 158217485 /nfs/dbraw/zinc/21/74/85/158217485.db2.gz YHISQTMFESVQRP-ZWNOBZJWSA-N 0 0 312.391 0.560 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000122432137 158220991 /nfs/dbraw/zinc/22/09/91/158220991.db2.gz ZOGZLOWEQPFITM-CHWSQXEVSA-N 0 0 307.460 0.350 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122569780 158222208 /nfs/dbraw/zinc/22/22/08/158222208.db2.gz CWULVFBBXUJJHY-YPMHNXCESA-N 0 0 305.382 0.428 10 0 DCAERN CNc1ncc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)s1 ZINC000122661083 158222630 /nfs/dbraw/zinc/22/26/30/158222630.db2.gz QUJCFROPRSSCEF-QWRGUYRKSA-N 0 0 310.423 0.978 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCS2)C1 ZINC000122635508 158222741 /nfs/dbraw/zinc/22/27/41/158222741.db2.gz OOLOSECRSVCOAD-WDEREUQCSA-N 0 0 306.453 0.811 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000122625563 158222980 /nfs/dbraw/zinc/22/29/80/158222980.db2.gz RZZHIFIZGLFLBM-QMMMGPOBSA-N 0 0 318.358 0.999 10 0 DCAERN Cc1noc(CCC(=O)NCCc2nnc3n2CCCCC3)n1 ZINC000124109239 158237965 /nfs/dbraw/zinc/23/79/65/158237965.db2.gz UIFZLXRHGGSKML-UHFFFAOYSA-N 0 0 318.381 0.987 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@H](C)C1CCOCC1 ZINC000125371237 158254988 /nfs/dbraw/zinc/25/49/88/158254988.db2.gz QWXPVYKKYKCSBP-LLVKDONJSA-N 0 0 306.428 0.495 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCC[C@@H](C)C2)n(C)n1 ZINC000125611831 158257484 /nfs/dbraw/zinc/25/74/84/158257484.db2.gz LZHOLMRUGZOROY-LLVKDONJSA-N 0 0 308.382 0.806 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000125631703 158258124 /nfs/dbraw/zinc/25/81/24/158258124.db2.gz SLUNUADNKSICHI-GHMZBOCLSA-N 0 0 307.325 0.869 10 0 DCAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](C(N)=O)C1 ZINC000125726078 158259689 /nfs/dbraw/zinc/25/96/89/158259689.db2.gz ASTJAHKQAOTNEE-PWSUYJOCSA-N 0 0 302.334 0.984 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCC2=CCCC2)C1 ZINC000125957126 158261002 /nfs/dbraw/zinc/26/10/02/158261002.db2.gz LOWCKQGSKRGUJG-GFCCVEGCSA-N 0 0 301.412 0.820 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000126467478 158264482 /nfs/dbraw/zinc/26/44/82/158264482.db2.gz FBMUFFPCGHHIGT-LLVKDONJSA-N 0 0 301.350 0.979 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126735429 158267125 /nfs/dbraw/zinc/26/71/25/158267125.db2.gz UFZVXIOSHRYPHE-STQMWFEESA-N 0 0 319.471 0.791 10 0 DCAERN O=C1CCN(C[C@H](O)CN2CCOCC2)c2ccc(F)cc2N1 ZINC000126895070 158269088 /nfs/dbraw/zinc/26/90/88/158269088.db2.gz NGKQRCKMPYDFPL-CYBMUJFWSA-N 0 0 323.368 0.667 10 0 DCAERN CS(=O)(=O)NCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126891705 158269182 /nfs/dbraw/zinc/26/91/82/158269182.db2.gz IOWXIVNEQZQBHQ-CYBMUJFWSA-N 0 0 300.380 0.315 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000127074931 158269632 /nfs/dbraw/zinc/26/96/32/158269632.db2.gz VFLHFTRCSNIRRS-SNVBAGLBSA-N 0 0 315.337 0.392 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127778010 158276020 /nfs/dbraw/zinc/27/60/20/158276020.db2.gz VBLOUIXMUPSPQV-WBMJQRKESA-N 0 0 308.378 0.679 10 0 DCAERN COC(=O)C1(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000128018395 158278636 /nfs/dbraw/zinc/27/86/36/158278636.db2.gz KDSPUSJXGVBZJD-JTQLQIEISA-N 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VJOIEAUNFXACHR-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2)o1 ZINC000133405543 158318898 /nfs/dbraw/zinc/31/88/98/158318898.db2.gz VAPBJZNSLNZWDJ-CMPLNLGQSA-N 0 0 301.364 0.921 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)CO)CC1 ZINC000133472073 158319673 /nfs/dbraw/zinc/31/96/73/158319673.db2.gz KIEVBMCKYFAWKD-GHMZBOCLSA-N 0 0 306.428 0.181 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 ZINC000134151038 158324117 /nfs/dbraw/zinc/32/41/17/158324117.db2.gz CKDOEJAZVSCYOP-JTQLQIEISA-N 0 0 318.381 0.441 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)CC2 ZINC000134150835 158324209 /nfs/dbraw/zinc/32/42/09/158324209.db2.gz CKDOEJAZVSCYOP-SNVBAGLBSA-N 0 0 318.381 0.441 10 0 DCAERN CC(C)[C@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)C(N)=O ZINC000134488862 158327015 /nfs/dbraw/zinc/32/70/15/158327015.db2.gz VQAUUXJDSQNLPB-AAEUAGOBSA-N 0 0 318.377 0.922 10 0 DCAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000134364520 158327594 /nfs/dbraw/zinc/32/75/94/158327594.db2.gz BKBOLEKPCZFUEP-IHRRRGAJSA-N 0 0 322.409 0.023 10 0 DCAERN COC[C@@H](C)N(C)S(=O)(=O)c1scnc1C(=O)OC ZINC000134687815 158330068 /nfs/dbraw/zinc/33/00/68/158330068.db2.gz OMNLUFAURBZHOI-SSDOTTSWSA-N 0 0 308.381 0.585 10 0 DCAERN C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1nnc2n1CCCC2 ZINC000135406446 158336090 /nfs/dbraw/zinc/33/60/90/158336090.db2.gz ORVKQIAGXUJIBJ-SNVBAGLBSA-N 0 0 319.365 0.331 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)N(C)CC1CC(O)C1 ZINC000135368339 158336282 /nfs/dbraw/zinc/33/62/82/158336282.db2.gz KDRPIWWXTDQYJB-MCIGGMRASA-N 0 0 300.424 0.917 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000135363003 158336427 /nfs/dbraw/zinc/33/64/27/158336427.db2.gz KWCHYTSRTITJSL-UHFFFAOYSA-N 0 0 314.411 0.061 10 0 DCAERN CCCOC(=O)[C@@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135686115 158339787 /nfs/dbraw/zinc/33/97/87/158339787.db2.gz NNHUCZVTIFHBOL-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN CN1CC[C@@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1=O ZINC000135745959 158340015 /nfs/dbraw/zinc/34/00/15/158340015.db2.gz GFFKGGQMDWQQLR-TZMCWYRMSA-N 0 0 303.362 0.930 10 0 DCAERN CC(C)(C)NC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757742 158340290 /nfs/dbraw/zinc/34/02/90/158340290.db2.gz PCQXLEBAAVUNBD-LBPRGKRZSA-N 0 0 317.455 0.401 10 0 DCAERN CCc1cnccc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000137138540 158345702 /nfs/dbraw/zinc/34/57/02/158345702.db2.gz SRZJORSWSLLTNO-AWEZNQCLSA-N 0 0 313.361 0.913 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000167079188 158366848 /nfs/dbraw/zinc/36/68/48/158366848.db2.gz RJPGMVNQTDSMQD-VIFPVBQESA-N 0 0 300.380 0.947 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000167780732 158369826 /nfs/dbraw/zinc/36/98/26/158369826.db2.gz QKTUSWDAWHZMDH-CYBMUJFWSA-N 0 0 318.395 0.784 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000170683760 158375986 /nfs/dbraw/zinc/37/59/86/158375986.db2.gz NBRFCUMLVSQVRQ-AWEZNQCLSA-N 0 0 311.426 0.520 10 0 DCAERN CNC(=O)CCN(C)C(=O)c1cnc2nc(C)ccc2c1O ZINC000171481673 158383073 /nfs/dbraw/zinc/38/30/73/158383073.db2.gz LJIQSYLNNUDOJQ-UHFFFAOYSA-N 0 0 302.334 0.852 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171870177 158387924 /nfs/dbraw/zinc/38/79/24/158387924.db2.gz ORLHDUHFKPRUEQ-MRXNPFEDSA-N 0 0 324.340 0.839 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCn1c2ccccc2oc1=O ZINC000172005054 158389636 /nfs/dbraw/zinc/38/96/36/158389636.db2.gz XFAAFXDJGMIFIM-LBPRGKRZSA-N 0 0 317.345 0.722 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CCO1 ZINC000172129917 158391331 /nfs/dbraw/zinc/39/13/31/158391331.db2.gz BABCJYSRBLRFOT-NORZTCDRSA-N 0 0 318.373 0.915 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308238 158393302 /nfs/dbraw/zinc/39/33/02/158393302.db2.gz PMKWWRKGPXNDFT-AAEUAGOBSA-N 0 0 318.381 0.869 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NCC[C@H](C)O)CC2)n1 ZINC000172342373 158393871 /nfs/dbraw/zinc/39/38/71/158393871.db2.gz UCSRPTXBXHBLQX-NSHDSACASA-N 0 0 308.382 0.589 10 0 DCAERN COc1cccc(CNC(=O)CNC(=O)c2ccccn2)n1 ZINC000172532266 158394998 /nfs/dbraw/zinc/39/49/98/158394998.db2.gz YTIPUGJUHSUXCO-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN COc1cc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccn1 ZINC000172534455 158395522 /nfs/dbraw/zinc/39/55/22/158395522.db2.gz PFACMQJOACWEFS-NEPJUHHUSA-N 0 0 306.366 0.934 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000172573163 158395688 /nfs/dbraw/zinc/39/56/88/158395688.db2.gz JLMOOCTVECOMCE-GHMZBOCLSA-N 0 0 306.366 0.934 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2nc(-c3ccoc3)no2)n1 ZINC000172682623 158398564 /nfs/dbraw/zinc/39/85/64/158398564.db2.gz VDSYDJJFAGNFDG-UHFFFAOYSA-N 0 0 302.246 0.721 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172763957 158399259 /nfs/dbraw/zinc/39/92/59/158399259.db2.gz DROZNNHNVAJSBI-KGLIPLIRSA-N 0 0 300.399 0.361 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172766749 158399441 /nfs/dbraw/zinc/39/94/41/158399441.db2.gz RJZCZCDZKCLYAT-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173861685 158410871 /nfs/dbraw/zinc/41/08/71/158410871.db2.gz IQVBJQKWVVHXNO-BLLLJJGKSA-N 0 0 320.437 0.759 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000174084745 158414457 /nfs/dbraw/zinc/41/44/57/158414457.db2.gz DLTJRWPWOMVGSS-NSHDSACASA-N 0 0 318.385 0.331 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H](C)C(=O)N(C)C ZINC000175624554 158429560 /nfs/dbraw/zinc/42/95/60/158429560.db2.gz YEIXKLLYUQMRJG-MWLCHTKSSA-N 0 0 309.414 0.744 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000176898153 158442889 /nfs/dbraw/zinc/44/28/89/158442889.db2.gz NQDLUPRZCRPWPQ-YGRLFVJLSA-N 0 0 306.410 0.953 10 0 DCAERN C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177671317 158449625 /nfs/dbraw/zinc/44/96/25/158449625.db2.gz QWKXPJGTUUTXDZ-HTQZYQBOSA-N 0 0 318.376 0.627 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)NC[C@@]1(CCO)CCOC1 ZINC000178089774 158453313 /nfs/dbraw/zinc/45/33/13/158453313.db2.gz QOMMKRZULMEUAT-MRXNPFEDSA-N 0 0 324.352 0.461 10 0 DCAERN C[C@H](NC(=O)NCCC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000178090590 158453315 /nfs/dbraw/zinc/45/33/15/158453315.db2.gz BKQRWXADIXZXPI-JTQLQIEISA-N 0 0 302.338 0.503 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178085082 158453459 /nfs/dbraw/zinc/45/34/59/158453459.db2.gz FCHGCHWTLJPAGJ-SNVBAGLBSA-N 0 0 321.381 0.136 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1C)C(C)C ZINC000178722762 158462534 /nfs/dbraw/zinc/46/25/34/158462534.db2.gz VIXSIJSQBLBTDE-AWEZNQCLSA-N 0 0 305.378 0.612 10 0 DCAERN O=C(NCCCOCCO)NCc1cccnc1-n1cccn1 ZINC000181467998 158486290 /nfs/dbraw/zinc/48/62/90/158486290.db2.gz ZIXPSDOGWCGFMI-UHFFFAOYSA-N 0 0 319.365 0.466 10 0 DCAERN CC(C)(C)[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000183660892 158500818 /nfs/dbraw/zinc/50/08/18/158500818.db2.gz FCWAYOLUBYXBJT-GFCCVEGCSA-N 0 0 319.361 0.213 10 0 DCAERN CC1(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3CO)nn2)COC1 ZINC000183945904 158503969 /nfs/dbraw/zinc/50/39/69/158503969.db2.gz LHFSZNBBKGLEOR-NEPJUHHUSA-N 0 0 308.382 0.596 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)C(C)C ZINC000183987657 158504738 /nfs/dbraw/zinc/50/47/38/158504738.db2.gz SJMVOHFPTCLROE-VXGBXAGGSA-N 0 0 324.356 0.422 10 0 DCAERN CCC1(CC)CN(CCNS(=O)(=O)CC)CC[S@@]1=O ZINC000185242237 158517345 /nfs/dbraw/zinc/51/73/45/158517345.db2.gz QBGASHKLVUFPHA-SFHVURJKSA-N 0 0 310.485 0.549 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)C1 ZINC000185302426 158518255 /nfs/dbraw/zinc/51/82/55/158518255.db2.gz UDHUZLODNKKRSO-HUUCEWRRSA-N 0 0 318.373 0.772 10 0 DCAERN CCOCCOCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188096311 158543359 /nfs/dbraw/zinc/54/33/59/158543359.db2.gz IFVXMQWKXIXGJW-UHFFFAOYSA-N 0 0 322.409 0.989 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188929337 158548622 /nfs/dbraw/zinc/54/86/22/158548622.db2.gz HCOQCBYQYGIANU-RYUDHWBXSA-N 0 0 318.377 0.934 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)C[C@H]3CCOC3)CC2)n[nH]1 ZINC000189183156 158550022 /nfs/dbraw/zinc/55/00/22/158550022.db2.gz LAPJRYQWFNZSOE-LBPRGKRZSA-N 0 0 314.411 0.206 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1CO ZINC000189281207 158550932 /nfs/dbraw/zinc/55/09/32/158550932.db2.gz GHXRASYSMOMDNT-HZSPNIEDSA-N 0 0 321.425 0.659 10 0 DCAERN O=S(=O)(CCc1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000189616481 158553831 /nfs/dbraw/zinc/55/38/31/158553831.db2.gz IEBGCILOXZXTMM-SNVBAGLBSA-N 0 0 312.420 0.817 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189756577 158555253 /nfs/dbraw/zinc/55/52/53/158555253.db2.gz PVEAGQOGXBFWEW-GFCCVEGCSA-N 0 0 322.413 0.594 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000191013867 158564566 /nfs/dbraw/zinc/56/45/66/158564566.db2.gz XEPMFGUUIFEEBA-KOLCDFICSA-N 0 0 308.386 0.587 10 0 DCAERN Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@H]1C(N)=O ZINC000245689837 158651128 /nfs/dbraw/zinc/65/11/28/158651128.db2.gz AQKLWQUMXMDXAC-KGLIPLIRSA-N 0 0 308.378 0.229 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000246084647 158657010 /nfs/dbraw/zinc/65/70/10/158657010.db2.gz ZECCVDDAWORUSP-MGPQQGTHSA-N 0 0 306.387 0.682 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)[C@H](C)CC ZINC000246231081 158659781 /nfs/dbraw/zinc/65/97/81/158659781.db2.gz JXHWPWDERPKWSL-JHJVBQTASA-N 0 0 320.455 0.714 10 0 DCAERN Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000246863349 158673346 /nfs/dbraw/zinc/67/33/46/158673346.db2.gz SLUUMELDNLBSLL-CABCVRRESA-N 0 0 322.405 0.538 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3C[C@@H](O)C3(C)C)C2)cn1 ZINC000251701154 158713121 /nfs/dbraw/zinc/71/31/21/158713121.db2.gz JDLWBBLFOFXBOW-IACUBPJLSA-N 0 0 321.425 0.848 10 0 DCAERN CC(C)n1nnnc1CN1CCN(Cc2cnn(C)c2)CC1 ZINC000328670216 159019359 /nfs/dbraw/zinc/01/93/59/159019359.db2.gz MMVMMCXTKRHBHB-UHFFFAOYSA-N 0 0 304.402 0.305 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670492 159019548 /nfs/dbraw/zinc/01/95/48/159019548.db2.gz MQUCULRSTGNYMA-CHWSQXEVSA-N 0 0 307.398 0.623 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328674281 159019892 /nfs/dbraw/zinc/01/98/92/159019892.db2.gz PWXZMPPWQVCACN-NSHDSACASA-N 0 0 311.407 0.131 10 0 DCAERN CS(=O)(=O)CC1(CN2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000328702948 159022525 /nfs/dbraw/zinc/02/25/25/159022525.db2.gz XNQNVIATXACBOZ-LBPRGKRZSA-N 0 0 301.408 0.491 10 0 DCAERN O=C1C[C@H](NS(=O)(=O)C[C@H]2CCOC2)[C@@H]2CCCCN12 ZINC000328752715 159026519 /nfs/dbraw/zinc/02/65/19/159026519.db2.gz RZENEMXHCHXHJE-SRVKXCTJSA-N 0 0 302.396 0.096 10 0 DCAERN Cc1cc(CS(=O)(=O)NC[C@H](C)CN2CCOCC2)no1 ZINC000328830922 159033517 /nfs/dbraw/zinc/03/35/17/159033517.db2.gz KCYRNFNYKKEVLC-NSHDSACASA-N 0 0 317.411 0.371 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872305 159035884 /nfs/dbraw/zinc/03/58/84/159035884.db2.gz DVFXKUAOIOCZRV-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000328898484 159038995 /nfs/dbraw/zinc/03/89/95/159038995.db2.gz WQSTWUJFOKVGPG-GFCCVEGCSA-N 0 0 323.418 0.854 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@@H]21 ZINC000328914431 159041023 /nfs/dbraw/zinc/04/10/23/159041023.db2.gz QEGMQEKWAWNOMG-QLFBSQMISA-N 0 0 312.410 0.504 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC[C@@H]3CCCO3)C[C@H]21 ZINC000328914433 159041083 /nfs/dbraw/zinc/04/10/83/159041083.db2.gz QEGMQEKWAWNOMG-RRFJBIMHSA-N 0 0 312.410 0.504 10 0 DCAERN O=C(CCn1cnccc1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328935896 159043977 /nfs/dbraw/zinc/04/39/77/159043977.db2.gz QNBSYUYHPVJFIN-XJKSGUPXSA-N 0 0 305.378 0.787 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1CCN(C2CC2)CC1 ZINC000329034342 159054298 /nfs/dbraw/zinc/05/42/98/159054298.db2.gz MKKNKNJYPWHZPR-UHFFFAOYSA-N 0 0 308.411 0.407 10 0 DCAERN Cc1cnc(N)c(S(=O)(=O)N2CCc3cncnc3C2)c1 ZINC000329074584 159057857 /nfs/dbraw/zinc/05/78/57/159057857.db2.gz BNGJDBRADVCFKP-UHFFFAOYSA-N 0 0 305.363 0.509 10 0 DCAERN Cn1cnn(CCC(=O)N2CCO[C@@H](C3CCCCC3)C2)c1=O ZINC000329071124 159058170 /nfs/dbraw/zinc/05/81/70/159058170.db2.gz YVJDHKZPGFAOGM-CQSZACIVSA-N 0 0 322.409 0.780 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000329092497 159061314 /nfs/dbraw/zinc/06/13/14/159061314.db2.gz JXABOJCTKRHJDR-LBPRGKRZSA-N 0 0 308.382 0.578 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329273210 159078637 /nfs/dbraw/zinc/07/86/37/159078637.db2.gz IWXJAFGWIANOMA-UWVGGRQHSA-N 0 0 308.338 0.736 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)O1 ZINC000329282588 159079611 /nfs/dbraw/zinc/07/96/11/159079611.db2.gz NSCFTAUIISZLLC-QDEZUTFSSA-N 0 0 324.421 0.776 10 0 DCAERN CC(C)[C@@H]1N(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@]12CCCO2 ZINC000329335341 159083302 /nfs/dbraw/zinc/08/33/02/159083302.db2.gz OLWHZDKWJFIADS-IINYFYTJSA-N 0 0 308.338 0.500 10 0 DCAERN O=C([C@@H]1C[C@]12CCOc1ccccc12)N1C[C@@H](O)C[C@@H]1CO ZINC000329356809 159085188 /nfs/dbraw/zinc/08/51/88/159085188.db2.gz HCLRABCMDYECDW-NVNVUAJTSA-N 0 0 303.358 0.681 10 0 DCAERN O=C(c1nc(C2CC2)n2ccccc12)N1C[C@H](O)C[C@H]1CO ZINC000329373531 159086331 /nfs/dbraw/zinc/08/63/31/159086331.db2.gz NBZRQGQVMKERGR-NWDGAFQWSA-N 0 0 301.346 0.779 10 0 DCAERN CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(=O)c(OC)co3)[C@H]2C1 ZINC000329408236 159089963 /nfs/dbraw/zinc/08/99/63/159089963.db2.gz ZWGJTXVEXCSEPF-WCQYABFASA-N 0 0 322.361 0.584 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCS1(=O)=O ZINC000329434593 159092262 /nfs/dbraw/zinc/09/22/62/159092262.db2.gz LLJNWSFBATVLSE-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329444546 159092966 /nfs/dbraw/zinc/09/29/66/159092966.db2.gz NOWCINRJRZFRKW-QWRGUYRKSA-N 0 0 317.411 0.413 10 0 DCAERN O=C(c1cccnc1)N1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000329524042 159099932 /nfs/dbraw/zinc/09/99/32/159099932.db2.gz RYOYZCZRLWRSEX-RBSFLKMASA-N 0 0 315.373 0.791 10 0 DCAERN COc1c(CNS(=O)(=O)Cc2cc(C)no2)c(C)nn1C ZINC000329536222 159100740 /nfs/dbraw/zinc/10/07/40/159100740.db2.gz AZOLPGGMZLNDAC-UHFFFAOYSA-N 0 0 314.367 0.653 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)COC[C@@H]1CCOC1 ZINC000329565618 159103139 /nfs/dbraw/zinc/10/31/39/159103139.db2.gz OKNUAVSBJKAOIX-GHMZBOCLSA-N 0 0 302.396 0.029 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@H]1CCOC1)C2 ZINC000329569613 159103286 /nfs/dbraw/zinc/10/32/86/159103286.db2.gz PWCMESLFSHVVKI-JTQLQIEISA-N 0 0 300.384 0.336 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CCO[C@]2(CCOC2)C1 ZINC000329579229 159103783 /nfs/dbraw/zinc/10/37/83/159103783.db2.gz PIFYDHGNNBZEPC-OAHLLOKOSA-N 0 0 300.318 0.656 10 0 DCAERN CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[C@@H]1CC(=O)N(C)C1=O ZINC000329590013 159104451 /nfs/dbraw/zinc/10/44/51/159104451.db2.gz SUTLQLVCOSDILW-FMCLSXCISA-N 0 0 324.377 0.034 10 0 DCAERN CC(C)CN1C[C@@H]2CN(C(=O)Cc3cncnc3)CCN2C1=O ZINC000329581449 159104831 /nfs/dbraw/zinc/10/48/31/159104831.db2.gz PZLKUMUCHCSEGG-AWEZNQCLSA-N 0 0 317.393 0.624 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2NC(=O)CC23CCCCC3)CC1 ZINC000329594303 159105764 /nfs/dbraw/zinc/10/57/64/159105764.db2.gz OQIZDLXFRIWTLG-UHFFFAOYSA-N 0 0 322.409 0.957 10 0 DCAERN COCCN(C(=O)c1cnn2ccncc12)[C@@H]1CCO[C@@H]1C ZINC000329631708 159108311 /nfs/dbraw/zinc/10/83/11/159108311.db2.gz IINWYNKUKVMPHU-DGCLKSJQSA-N 0 0 304.350 0.995 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N(C)c1ncc(OC)cn1 ZINC000329690654 159113175 /nfs/dbraw/zinc/11/31/75/159113175.db2.gz DDKHUYQHXVYGMN-JTQLQIEISA-N 0 0 310.379 0.760 10 0 DCAERN Cc1csc(=O)n1CCc1nc([C@@H]2CC(=O)N(C)C2)no1 ZINC000329726899 159115282 /nfs/dbraw/zinc/11/52/82/159115282.db2.gz OPJIXYUVLGECOM-SECBINFHSA-N 0 0 308.363 0.790 10 0 DCAERN C[C@@H](Sc1nncn1C)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329744313 159115692 /nfs/dbraw/zinc/11/56/92/159115692.db2.gz XSVTWLKUEHJDJA-ZJUUUORDSA-N 0 0 321.410 0.724 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329850862 159123871 /nfs/dbraw/zinc/12/38/71/159123871.db2.gz ZZBWRZUAZNSELI-GJZGRUSLSA-N 0 0 309.410 0.321 10 0 DCAERN O=C([C@@H]1CCN1Cc1ccccc1)N1CCCS(=O)(=O)CC1 ZINC000329876275 159125269 /nfs/dbraw/zinc/12/52/69/159125269.db2.gz HSSHTNIQKDTUSO-HNNXBMFYSA-N 0 0 322.430 0.908 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@H](C)O[C@H](CO)C2)cn1 ZINC000329972280 159133075 /nfs/dbraw/zinc/13/30/75/159133075.db2.gz YAODKXWYNXWXEX-CYUUQNCZSA-N 0 0 323.393 0.589 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CCCN3C(C)=O)CCO2)cn1 ZINC000330085318 159140976 /nfs/dbraw/zinc/14/09/76/159140976.db2.gz CTXKXSDJAGYZIA-HUUCEWRRSA-N 0 0 320.393 0.814 10 0 DCAERN CC1(C)CN(C(=O)c2cnn3ccncc23)CCS1(=O)=O ZINC000330092236 159141108 /nfs/dbraw/zinc/14/11/08/159141108.db2.gz QOZQHLFUXDMAOS-UHFFFAOYSA-N 0 0 308.363 0.379 10 0 DCAERN O=C1CCCN1[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000330159106 159146170 /nfs/dbraw/zinc/14/61/70/159146170.db2.gz QJECCVCAXXUZAG-VXGBXAGGSA-N 0 0 302.396 0.192 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CCCOC1 ZINC000330170247 159147157 /nfs/dbraw/zinc/14/71/57/159147157.db2.gz BSESLASFRCVIHU-UONOGXRCSA-N 0 0 318.439 0.876 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H]1OC ZINC000330191438 159148808 /nfs/dbraw/zinc/14/88/08/159148808.db2.gz NBIOXYBGCCOHAA-VXGBXAGGSA-N 0 0 304.306 0.216 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCN1CCO ZINC000330193061 159149634 /nfs/dbraw/zinc/14/96/34/159149634.db2.gz AGBAGMRCJFEDJF-GZBFAFLISA-N 0 0 322.409 0.023 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000330235567 159153264 /nfs/dbraw/zinc/15/32/64/159153264.db2.gz YWCOMYYYOJGLGF-FRRDWIJNSA-N 0 0 324.381 0.387 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCc2cncnc2C1 ZINC000330279979 159155903 /nfs/dbraw/zinc/15/59/03/159155903.db2.gz RVRZNBRCSRNUJC-UHFFFAOYSA-N 0 0 313.770 0.611 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000330312213 159159176 /nfs/dbraw/zinc/15/91/76/159159176.db2.gz ODEXSAIIZZWAIL-YJNKXOJESA-N 0 0 322.405 0.528 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000330365793 159163214 /nfs/dbraw/zinc/16/32/14/159163214.db2.gz GZZDGFLITCWOSH-VIFPVBQESA-N 0 0 319.301 0.269 10 0 DCAERN C[C@@H](CO)N(C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000330455351 159176034 /nfs/dbraw/zinc/17/60/34/159176034.db2.gz WTKVLTXUIDTCCH-JTQLQIEISA-N 0 0 300.380 0.390 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000330624362 159205264 /nfs/dbraw/zinc/20/52/64/159205264.db2.gz GBZDHNWESPUTMJ-YNEHKIRRSA-N 0 0 300.399 0.272 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@H]1N1CCOCC1 ZINC000332751426 159212374 /nfs/dbraw/zinc/21/23/74/159212374.db2.gz ABHLVINSNSCNAN-MIGQKNRLSA-N 0 0 323.437 0.916 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)CCC2 ZINC000332933823 159217054 /nfs/dbraw/zinc/21/70/54/159217054.db2.gz JOCZPXAMCPXAIC-CHWSQXEVSA-N 0 0 319.409 0.989 10 0 DCAERN CCNC(=O)[C@H](C)NC(=O)N[C@@H](C)c1noc(COCC)n1 ZINC000358479096 159255321 /nfs/dbraw/zinc/25/53/21/159255321.db2.gz OJUVBBFLJDZTLX-IUCAKERBSA-N 0 0 313.358 0.491 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C)CC1 ZINC000367035053 159306821 /nfs/dbraw/zinc/30/68/21/159306821.db2.gz GYHBACGNQPHRGP-AWEZNQCLSA-N 0 0 317.393 0.445 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050339 159309274 /nfs/dbraw/zinc/30/92/74/159309274.db2.gz OGRXBSQCEMTYKQ-ZDUSSCGKSA-N 0 0 312.801 0.353 10 0 DCAERN COCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367230996 159323322 /nfs/dbraw/zinc/32/33/22/159323322.db2.gz LRQGPIAJCBSMPI-VXGBXAGGSA-N 0 0 307.412 0.120 10 0 DCAERN COC(=O)C1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367247486 159325138 /nfs/dbraw/zinc/32/51/38/159325138.db2.gz VZWFNQBNPIHTRV-NWDGAFQWSA-N 0 0 311.378 0.624 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000367401133 159336370 /nfs/dbraw/zinc/33/63/70/159336370.db2.gz FRIOHKQNBBMAMJ-NEPJUHHUSA-N 0 0 314.407 0.710 10 0 DCAERN Cc1cc(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)on1 ZINC000367491712 159340601 /nfs/dbraw/zinc/34/06/01/159340601.db2.gz WRWWONAXZAQOKK-UHFFFAOYSA-N 0 0 320.349 0.506 10 0 DCAERN COc1cccc(C2(C(=O)N3CC[C@@](O)(C(N)=O)C3)CC2)c1 ZINC000367600176 159346417 /nfs/dbraw/zinc/34/64/17/159346417.db2.gz ZQLWNNVPOAMKGC-INIZCTEOSA-N 0 0 304.346 0.176 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000367749850 159354614 /nfs/dbraw/zinc/35/46/14/159354614.db2.gz OITDKPYTROEZNC-LBPRGKRZSA-N 0 0 316.423 0.216 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)cn1 ZINC000367794816 159356057 /nfs/dbraw/zinc/35/60/57/159356057.db2.gz TUYGLKICWAQEFZ-CYBMUJFWSA-N 0 0 311.407 0.947 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000368048430 159371718 /nfs/dbraw/zinc/37/17/18/159371718.db2.gz QNGISXNYBKZJGC-GRYCIOLGSA-N 0 0 303.428 0.155 10 0 DCAERN O=C(COc1ccc(F)cc1F)N1CCN2CCOC[C@H]2C1 ZINC000368324169 159387261 /nfs/dbraw/zinc/38/72/61/159387261.db2.gz NQBUDMBYVYBMSR-GFCCVEGCSA-N 0 0 312.316 0.887 10 0 DCAERN CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000368392430 159392247 /nfs/dbraw/zinc/39/22/47/159392247.db2.gz IKCAMNPRQFKYKV-KGLIPLIRSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NCCNC(=O)c1cccnc1 ZINC000374990783 159764394 /nfs/dbraw/zinc/76/43/94/159764394.db2.gz VEMDGGSXQSPBLX-GFCCVEGCSA-N 0 0 306.366 0.632 10 0 DCAERN Cn1cc([C@H](O)C(=O)NCc2ccccc2-n2cccn2)cn1 ZINC000375083547 159770686 /nfs/dbraw/zinc/77/06/86/159770686.db2.gz FYLVGLVIMVSHEW-HNNXBMFYSA-N 0 0 311.345 0.956 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000375984804 159831789 /nfs/dbraw/zinc/83/17/89/159831789.db2.gz MVAGVVIIBVWTKN-JSGCOSHPSA-N 0 0 314.407 0.316 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376104166 159838737 /nfs/dbraw/zinc/83/87/37/159838737.db2.gz VBJCVDSKLQOBGP-LLVKDONJSA-N 0 0 324.362 0.936 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000407958721 159997154 /nfs/dbraw/zinc/99/71/54/159997154.db2.gz SMDVMZZECIUSRZ-ZIAGYGMSSA-N 0 0 301.346 0.996 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1=O ZINC000407972189 160000254 /nfs/dbraw/zinc/00/02/54/160000254.db2.gz SGXPAVJZTMZVKN-RYUDHWBXSA-N 0 0 309.410 0.713 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000407976307 160000614 /nfs/dbraw/zinc/00/06/14/160000614.db2.gz NEIFFENWIPQOMP-SJKOYZFVSA-N 0 0 321.421 0.810 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cscn2)C1 ZINC000407987157 160003873 /nfs/dbraw/zinc/00/38/73/160003873.db2.gz WOSBARBHAKAVEW-SECBINFHSA-N 0 0 318.424 0.366 10 0 DCAERN C[C@@H](C[C@H]1CCCO1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000407990831 160004192 /nfs/dbraw/zinc/00/41/92/160004192.db2.gz MQUUNARHMLATQD-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000407992409 160005106 /nfs/dbraw/zinc/00/51/06/160005106.db2.gz SGKGRUMEQCWXEP-JHJVBQTASA-N 0 0 310.394 0.903 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)C(=O)N2CCC(C)CC2)n1 ZINC000407991309 160005395 /nfs/dbraw/zinc/00/53/95/160005395.db2.gz OGZZVSPLOFBOCE-NWDGAFQWSA-N 0 0 322.365 0.271 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(O)(CC)C1 ZINC000407995566 160005890 /nfs/dbraw/zinc/00/58/90/160005890.db2.gz KUOWXLZGQUMWHO-WDEREUQCSA-N 0 0 300.424 0.917 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000407994361 160006096 /nfs/dbraw/zinc/00/60/96/160006096.db2.gz CFYIZFRDCBNOJF-UTUOFQBUSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@@H](C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000407997451 160007101 /nfs/dbraw/zinc/00/71/01/160007101.db2.gz WCZPCXWAKDDRNI-GFCCVEGCSA-N 0 0 311.426 0.457 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)[C@H](C)CO1 ZINC000408002764 160007754 /nfs/dbraw/zinc/00/77/54/160007754.db2.gz HJTPWIIDDMONQS-IWSPIJDZSA-N 0 0 320.333 0.243 10 0 DCAERN CN(C(=O)N[C@@H]1CCCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC000408015279 160011286 /nfs/dbraw/zinc/01/12/86/160011286.db2.gz AXSLDJQDWJPTQT-GRYCIOLGSA-N 0 0 304.412 0.366 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@H]1c1nc[nH]n1 ZINC000408018187 160013332 /nfs/dbraw/zinc/01/33/32/160013332.db2.gz YLQNZJPUCNEPKF-LURJTMIESA-N 0 0 300.262 0.070 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408021923 160013993 /nfs/dbraw/zinc/01/39/93/160013993.db2.gz KJNWRMXOWWHODT-NWDGAFQWSA-N 0 0 313.423 0.425 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)CC2CCCCC2)C1 ZINC000408026308 160014824 /nfs/dbraw/zinc/01/48/24/160014824.db2.gz GTRCECCQYATWHR-RYUDHWBXSA-N 0 0 304.412 0.471 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cncs2)C1 ZINC000408027874 160015994 /nfs/dbraw/zinc/01/59/94/160015994.db2.gz PKBBPFHRYASDON-VIFPVBQESA-N 0 0 303.409 0.685 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CC(C)(C)O1 ZINC000408027573 160016002 /nfs/dbraw/zinc/01/60/02/160016002.db2.gz OHGUNKKBQHCVPW-NWDGAFQWSA-N 0 0 307.412 0.621 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000408031703 160016637 /nfs/dbraw/zinc/01/66/37/160016637.db2.gz ORXCFBJZAOZIEQ-JTQLQIEISA-N 0 0 323.378 0.859 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)CC2(C)CCCCC2)C1 ZINC000408030050 160016676 /nfs/dbraw/zinc/01/66/76/160016676.db2.gz ZVDQNFOUARYFAO-RYUDHWBXSA-N 0 0 318.439 0.861 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408034862 160017919 /nfs/dbraw/zinc/01/79/19/160017919.db2.gz HHBCGNQOKAWGLS-YNEHKIRRSA-N 0 0 320.393 0.290 10 0 DCAERN CN(C)C(=O)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408038971 160019451 /nfs/dbraw/zinc/01/94/51/160019451.db2.gz QLSUWYOMRMQXTJ-AAEUAGOBSA-N 0 0 307.394 0.467 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)CS(C)(=O)=O ZINC000408041292 160020683 /nfs/dbraw/zinc/02/06/83/160020683.db2.gz GAKLGZSBDVWAJO-SYQHCUMBSA-N 0 0 305.440 0.529 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000408040885 160020804 /nfs/dbraw/zinc/02/08/04/160020804.db2.gz KCCCHXIKFOLSML-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@]1(O)CCCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000408051829 160023535 /nfs/dbraw/zinc/02/35/35/160023535.db2.gz MBUNOVITHVWFDU-YIZWMMSDSA-N 0 0 318.439 0.899 10 0 DCAERN Cc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1C ZINC000408054623 160024238 /nfs/dbraw/zinc/02/42/38/160024238.db2.gz SZNIRVDYVRWCMR-OCCSQVGLSA-N 0 0 323.368 0.745 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)on1 ZINC000408055003 160024962 /nfs/dbraw/zinc/02/49/62/160024962.db2.gz VWOMEIZPRVCFKC-MNOVXSKESA-N 0 0 311.313 0.394 10 0 DCAERN O=C(Cc1cncnc1)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408066402 160027033 /nfs/dbraw/zinc/02/70/33/160027033.db2.gz YADMRNFAQAJBKO-RBSFLKMASA-N 0 0 305.378 0.798 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000408077397 160030731 /nfs/dbraw/zinc/03/07/31/160030731.db2.gz XGPRVSPVVCWPFM-YVECIDJPSA-N 0 0 318.439 0.730 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000408079455 160030827 /nfs/dbraw/zinc/03/08/27/160030827.db2.gz NEBSQUWVMJZBIY-LLVKDONJSA-N 0 0 301.350 0.925 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CCn3cncn3)CC2)C[C@H](C)O1 ZINC000408077609 160030988 /nfs/dbraw/zinc/03/09/88/160030988.db2.gz ZUIJXQACVAIKOC-QDMKHBRRSA-N 0 0 321.425 0.626 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408080149 160031911 /nfs/dbraw/zinc/03/19/11/160031911.db2.gz LWHMCHLSRFMWJU-XUXIUFHCSA-N 0 0 322.405 0.924 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C)[C@H](O)C2)C1 ZINC000408090136 160033635 /nfs/dbraw/zinc/03/36/35/160033635.db2.gz BMHCQYAMMARDDW-FRRDWIJNSA-N 0 0 318.439 0.277 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)o1 ZINC000408096444 160035007 /nfs/dbraw/zinc/03/50/07/160035007.db2.gz BYMHJHDPJMGRAJ-UHFFFAOYSA-N 0 0 302.396 0.665 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)nc1 ZINC000408105243 160036226 /nfs/dbraw/zinc/03/62/26/160036226.db2.gz SVNCRQKWIGIRTC-GFCCVEGCSA-N 0 0 311.407 0.396 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000408105903 160037161 /nfs/dbraw/zinc/03/71/61/160037161.db2.gz WHFZETQFGUJMNI-KGLIPLIRSA-N 0 0 308.382 0.041 10 0 DCAERN C[C@H]1CN(c2ccc(S(C)(=O)=O)cn2)CC[S@@](=O)C1 ZINC000408108596 160037303 /nfs/dbraw/zinc/03/73/03/160037303.db2.gz BIYOWSVHNUIWSS-XTZNXHDOSA-N 0 0 302.421 0.690 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1C ZINC000408110445 160037791 /nfs/dbraw/zinc/03/77/91/160037791.db2.gz QDNAEIDKNAQIMV-UWVGGRQHSA-N 0 0 305.396 0.467 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000408112430 160038849 /nfs/dbraw/zinc/03/88/49/160038849.db2.gz KWZOOOSYZOJTNX-GFCCVEGCSA-N 0 0 300.362 0.559 10 0 DCAERN NC(=O)NCC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000408112761 160038871 /nfs/dbraw/zinc/03/88/71/160038871.db2.gz NMWXVWYFXFIEKU-UHFFFAOYSA-N 0 0 305.382 0.594 10 0 DCAERN Cc1cccc2c1ncn(CC(=O)N1CCN(C)C[C@H]1C)c2=O ZINC000408112373 160038928 /nfs/dbraw/zinc/03/89/28/160038928.db2.gz KKIUDFNBNONYSK-CYBMUJFWSA-N 0 0 314.389 0.867 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CCN(C)C[C@H]2C)C1=O ZINC000408112629 160039124 /nfs/dbraw/zinc/03/91/24/160039124.db2.gz MUILDSSYYJMQAA-LLVKDONJSA-N 0 0 310.398 0.260 10 0 DCAERN O=C(c1cncc(N2CCOCC2)c1)N1CCC[C@@](F)(CO)C1 ZINC000408121431 160040876 /nfs/dbraw/zinc/04/08/76/160040876.db2.gz NKZWXCKIJXKSIS-INIZCTEOSA-N 0 0 323.368 0.855 10 0 DCAERN NC(=O)C1CCC(NS(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000408122097 160040890 /nfs/dbraw/zinc/04/08/90/160040890.db2.gz UFJCPYNSDRVQHG-MCIGGMRASA-N 0 0 304.412 0.519 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)CCO1 ZINC000408121179 160041049 /nfs/dbraw/zinc/04/10/49/160041049.db2.gz BZCRJNMVLZLEHU-NEPJUHHUSA-N 0 0 306.428 0.483 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)CC1=O ZINC000408129598 160043670 /nfs/dbraw/zinc/04/36/70/160043670.db2.gz AVCBPQNWFCDGRY-KKOKHZNYSA-N 0 0 301.412 0.172 10 0 DCAERN COCCN1CCN(S(=O)(=O)N(C)CC(C)C)C[C@@H]1C ZINC000408135922 160045238 /nfs/dbraw/zinc/04/52/38/160045238.db2.gz ZXPVWHSNNUDVOI-ZDUSSCGKSA-N 0 0 307.460 0.472 10 0 DCAERN Cc1oc(C(=O)N2CCC[C@H](C)[C@H]2CO)cc1S(N)(=O)=O ZINC000408135946 160045337 /nfs/dbraw/zinc/04/53/37/160045337.db2.gz ACLOBYZRCZWGOF-WCBMZHEXSA-N 0 0 316.379 0.468 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000408136880 160045403 /nfs/dbraw/zinc/04/54/03/160045403.db2.gz BJIRFPAPUFNYQG-MFKMUULPSA-N 0 0 309.391 0.490 10 0 DCAERN Cn1ccnc1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408139809 160046231 /nfs/dbraw/zinc/04/62/31/160046231.db2.gz PJQJFQDBOMLJDI-CYBMUJFWSA-N 0 0 319.409 0.964 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000408146191 160047523 /nfs/dbraw/zinc/04/75/23/160047523.db2.gz YHVCIXOYTJOPFP-LBPRGKRZSA-N 0 0 303.428 0.301 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408160733 160049775 /nfs/dbraw/zinc/04/97/75/160049775.db2.gz XEGWVKANOQRNES-IJLUTSLNSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000408158026 160049991 /nfs/dbraw/zinc/04/99/91/160049991.db2.gz AFMFIQQEBBGKEN-DTORHVGOSA-N 0 0 318.399 0.557 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000408162973 160050326 /nfs/dbraw/zinc/05/03/26/160050326.db2.gz ALIOOTLMPBNJMG-WDEREUQCSA-N 0 0 310.441 0.130 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)c1cnn3ccncc13)CCO2 ZINC000408167384 160052131 /nfs/dbraw/zinc/05/21/31/160052131.db2.gz XUWULWYWNSKVGE-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(c2cncc3nncn32)CC1 ZINC000408173467 160052807 /nfs/dbraw/zinc/05/28/07/160052807.db2.gz ADDQLOHQPBPRPP-UHFFFAOYSA-N 0 0 324.410 0.375 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@@H](O)CC1 ZINC000408178719 160053642 /nfs/dbraw/zinc/05/36/42/160053642.db2.gz SSDOOTUZGHMAIT-GFCCVEGCSA-N 0 0 301.346 0.770 10 0 DCAERN Cn1c(CN2CC[C@H](NS(C)(=O)=O)C2)nnc1C1CCC1 ZINC000408176625 160053651 /nfs/dbraw/zinc/05/36/51/160053651.db2.gz HWFJKVUVASQCNW-NSHDSACASA-N 0 0 313.427 0.206 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408183779 160054113 /nfs/dbraw/zinc/05/41/13/160054113.db2.gz UEYFKARSQATKAY-ZIAGYGMSSA-N 0 0 319.471 0.758 10 0 DCAERN Cc1ccn2cc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)nc2c1 ZINC000408179801 160054701 /nfs/dbraw/zinc/05/47/01/160054701.db2.gz IRXKDUYLXHINIP-LLVKDONJSA-N 0 0 322.390 0.406 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408184842 160055469 /nfs/dbraw/zinc/05/54/69/160055469.db2.gz AATVOSJSYVVZDH-JOYOIKCWSA-N 0 0 304.350 0.820 10 0 DCAERN CCc1c(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408189514 160056079 /nfs/dbraw/zinc/05/60/79/160056079.db2.gz XFICYPJASDDRIN-DLOVCJGASA-N 0 0 305.378 0.827 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408191590 160056541 /nfs/dbraw/zinc/05/65/41/160056541.db2.gz HAKSGZDLCSJTCV-HZSPNIEDSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000408192719 160056624 /nfs/dbraw/zinc/05/66/24/160056624.db2.gz OKPJRRZKHFUNKT-XDQVBPFNSA-N 0 0 320.455 0.271 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)CC(=O)N1 ZINC000408197047 160057325 /nfs/dbraw/zinc/05/73/25/160057325.db2.gz FQUFNIGVYWTPGE-CHWSQXEVSA-N 0 0 317.389 0.956 10 0 DCAERN Cc1noc(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408197519 160057410 /nfs/dbraw/zinc/05/74/10/160057410.db2.gz JYBFUHUQCAALTN-VIFPVBQESA-N 0 0 300.380 0.870 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(CC(C)(C)O)CC2)CC(=O)N1 ZINC000408200993 160058233 /nfs/dbraw/zinc/05/82/33/160058233.db2.gz CQBLSQFFNXDFHM-QWHCGFSZSA-N 0 0 311.426 0.206 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408201258 160058401 /nfs/dbraw/zinc/05/84/01/160058401.db2.gz DVLAICRFHRPSHN-CHWSQXEVSA-N 0 0 317.393 0.430 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)CC(=O)N1 ZINC000408200689 160058465 /nfs/dbraw/zinc/05/84/65/160058465.db2.gz DOBMLBCPICSMJE-GMTAPVOTSA-N 0 0 321.343 0.996 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)N1CCc2ccccc21 ZINC000408201894 160059175 /nfs/dbraw/zinc/05/91/75/160059175.db2.gz GSIQVASNZJNEKA-GFCCVEGCSA-N 0 0 309.391 0.922 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408206202 160059782 /nfs/dbraw/zinc/05/97/82/160059782.db2.gz SQWIQXSWBORSCN-ZJUUUORDSA-N 0 0 314.411 0.618 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000408207794 160059928 /nfs/dbraw/zinc/05/99/28/160059928.db2.gz YACDIQSZCFSDLC-AVGNSLFASA-N 0 0 309.410 0.761 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1(C)C ZINC000408208228 160060807 /nfs/dbraw/zinc/06/08/07/160060807.db2.gz ZNCZCUNRZOINJD-RYUDHWBXSA-N 0 0 309.410 0.759 10 0 DCAERN CN1CN(S(=O)(=O)c2ccc(Br)o2)CC1=O ZINC000408215560 160061692 /nfs/dbraw/zinc/06/16/92/160061692.db2.gz QCKYTCJPKJPBCI-UHFFFAOYSA-N 0 0 309.141 0.462 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000408224440 160063675 /nfs/dbraw/zinc/06/36/75/160063675.db2.gz WOSVQFLJAYTRQI-STQMWFEESA-N 0 0 324.425 0.459 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1C(C)(C)C1(C)C ZINC000408227610 160064218 /nfs/dbraw/zinc/06/42/18/160064218.db2.gz CPAFINRAQYWZBG-SECBINFHSA-N 0 0 317.407 0.467 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)cn1 ZINC000408234528 160065127 /nfs/dbraw/zinc/06/51/27/160065127.db2.gz DIEGCQFHMDAEAE-MNOVXSKESA-N 0 0 315.395 0.534 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)c1cnn(C)c1 ZINC000408234294 160065623 /nfs/dbraw/zinc/06/56/23/160065623.db2.gz BWIBFJNVZJGRGT-GMTAPVOTSA-N 0 0 302.400 0.425 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc(C)c1F ZINC000408235425 160066023 /nfs/dbraw/zinc/06/60/23/160066023.db2.gz KDTNTWXQUZKRSB-LLVKDONJSA-N 0 0 300.355 0.999 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000408237973 160066780 /nfs/dbraw/zinc/06/67/80/160066780.db2.gz SGMMDRKZORBJPJ-AXFHLTTASA-N 0 0 308.400 0.128 10 0 DCAERN CC[C@@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N1CCCC1=O ZINC000408238037 160067041 /nfs/dbraw/zinc/06/70/41/160067041.db2.gz VPCDVLWCMAZYJL-ZDUSSCGKSA-N 0 0 309.410 0.714 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F ZINC000408242500 160067813 /nfs/dbraw/zinc/06/78/13/160067813.db2.gz VFCJMHGUWBEAFV-YUMQZZPRSA-N 0 0 302.318 0.915 10 0 DCAERN C[NH+](C)C[C@H]1CCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000408247895 160069125 /nfs/dbraw/zinc/06/91/25/160069125.db2.gz ZFAGNFHNPZJNLU-SNVBAGLBSA-N 0 0 308.407 0.515 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000408248233 160069222 /nfs/dbraw/zinc/06/92/22/160069222.db2.gz UCZHRCYZODCQNN-UHFFFAOYSA-N 0 0 304.412 0.279 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000408250330 160069780 /nfs/dbraw/zinc/06/97/80/160069780.db2.gz LEGUUVOVSAIFCA-AOOOYVTPSA-N 0 0 314.363 0.533 10 0 DCAERN CNC(=O)N[C@H]1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257032 160070422 /nfs/dbraw/zinc/07/04/22/160070422.db2.gz NZSFUAYCAYHNQT-UWVGGRQHSA-N 0 0 322.331 0.543 10 0 DCAERN CO[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CC[C@H]1C ZINC000408256862 160070511 /nfs/dbraw/zinc/07/05/11/160070511.db2.gz NFMXEBZCLHFUKO-VXGBXAGGSA-N 0 0 319.427 0.088 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000408258145 160070544 /nfs/dbraw/zinc/07/05/44/160070544.db2.gz VEJSPTJTZBLZGN-XJFOESAGSA-N 0 0 310.442 0.931 10 0 DCAERN CSC1(CNC(=O)N2CC(NC(C)=O)C2)CCOCC1 ZINC000408256078 160070731 /nfs/dbraw/zinc/07/07/31/160070731.db2.gz KFWMBYYMMRPFPZ-UHFFFAOYSA-N 0 0 301.412 0.429 10 0 DCAERN CO[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CC[C@H]1C ZINC000408256857 160070780 /nfs/dbraw/zinc/07/07/80/160070780.db2.gz NFMXEBZCLHFUKO-NEPJUHHUSA-N 0 0 319.427 0.088 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000408258921 160071399 /nfs/dbraw/zinc/07/13/99/160071399.db2.gz DDVZERSQOXASBB-STQMWFEESA-N 0 0 324.425 0.600 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408259945 160071490 /nfs/dbraw/zinc/07/14/90/160071490.db2.gz QXVBRCDHAOIWIO-NSHDSACASA-N 0 0 313.423 0.031 10 0 DCAERN C[C@@H]1N(C(=O)[C@H](O)Cc2cnn(C)c2)CCC12CCOCC2 ZINC000408274331 160073283 /nfs/dbraw/zinc/07/32/83/160073283.db2.gz KKNOROKMGOXLGY-GXTWGEPZSA-N 0 0 307.394 0.741 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csnn1 ZINC000408278213 160075092 /nfs/dbraw/zinc/07/50/92/160075092.db2.gz UQXYZIIYDDTMII-SFYZADRCSA-N 0 0 304.397 0.128 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H](CO)O1 ZINC000408280340 160075409 /nfs/dbraw/zinc/07/54/09/160075409.db2.gz ORIDABAAHJPEJG-ZJUUUORDSA-N 0 0 306.318 0.239 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3C[C@@H](C)O[C@H](CO)C3)cnc2n1 ZINC000408283574 160075627 /nfs/dbraw/zinc/07/56/27/160075627.db2.gz MBEWZCYQSVYRFS-MNOVXSKESA-N 0 0 317.345 0.866 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CCO[C@]3(CCOC3)C2)cn1 ZINC000408281182 160076189 /nfs/dbraw/zinc/07/61/89/160076189.db2.gz SUALWRFOFSIRNY-MRXNPFEDSA-N 0 0 321.377 0.839 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000408289078 160076893 /nfs/dbraw/zinc/07/68/93/160076893.db2.gz BLJUIWTXEUKNMI-LBPRGKRZSA-N 0 0 303.428 0.516 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000408286743 160076897 /nfs/dbraw/zinc/07/68/97/160076897.db2.gz NZNGNYNPNOHNQH-GVXVVHGQSA-N 0 0 303.428 0.420 10 0 DCAERN CSC1(CNC(=O)N[C@H]2CCN(C(C)=O)C2)CCOCC1 ZINC000408289001 160077003 /nfs/dbraw/zinc/07/70/03/160077003.db2.gz AXPKPESRAMXUQA-LBPRGKRZSA-N 0 0 315.439 0.819 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](O)C[C@H]1C ZINC000408292994 160077369 /nfs/dbraw/zinc/07/73/69/160077369.db2.gz FIXBITIWMCYBBF-HTQZYQBOSA-N 0 0 304.393 0.299 10 0 DCAERN Cc1ccnc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n1 ZINC000408290761 160077387 /nfs/dbraw/zinc/07/73/87/160077387.db2.gz LEBWGSZXECNLQZ-LLVKDONJSA-N 0 0 312.395 0.327 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](O)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000408289977 160077480 /nfs/dbraw/zinc/07/74/80/160077480.db2.gz GUGHJIAALNLIGG-SECBINFHSA-N 0 0 319.386 0.919 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408293945 160078297 /nfs/dbraw/zinc/07/82/97/160078297.db2.gz JIAVWNQUUGOFQX-VHSXEESVSA-N 0 0 303.318 0.084 10 0 DCAERN CC(C)[C@](C)(O)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000408301703 160080131 /nfs/dbraw/zinc/08/01/31/160080131.db2.gz UTRRCWXACRKVSR-HNNXBMFYSA-N 0 0 318.381 0.180 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000408302995 160080190 /nfs/dbraw/zinc/08/01/90/160080190.db2.gz LHLROQQNIBBHMN-STQMWFEESA-N 0 0 305.382 0.920 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@]1(C)CO ZINC000408299586 160080218 /nfs/dbraw/zinc/08/02/18/160080218.db2.gz CZMDVUQMUYJDOB-UHIISALHSA-N 0 0 300.424 0.965 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)C2)cc1F ZINC000408303336 160080525 /nfs/dbraw/zinc/08/05/25/160080525.db2.gz NZCDIZPWKLCWGA-SECBINFHSA-N 0 0 302.327 0.070 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1CCSC1)C(=O)N1CCOCC1 ZINC000408305850 160081536 /nfs/dbraw/zinc/08/15/36/160081536.db2.gz NPTFALJXULIACC-NEPJUHHUSA-N 0 0 300.424 0.739 10 0 DCAERN CCC(=O)N[C@H]1CCCN([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408307413 160081798 /nfs/dbraw/zinc/08/17/98/160081798.db2.gz GMKYUWUPIVXPFO-DZGCQCFKSA-N 0 0 323.437 0.757 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H](C)C2CCOCC2)CCO1 ZINC000408310265 160082283 /nfs/dbraw/zinc/08/22/83/160082283.db2.gz RCLWRVBBQXEPIK-CMPLNLGQSA-N 0 0 300.355 0.385 10 0 DCAERN C[C@@H]1CC[C@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000408310531 160082531 /nfs/dbraw/zinc/08/25/31/160082531.db2.gz SJNVCCVLFOUBLN-WOPDTQHZSA-N 0 0 303.428 0.756 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408310091 160082605 /nfs/dbraw/zinc/08/26/05/160082605.db2.gz PXLPDONWAHREDD-XQQFMLRXSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000408317240 160084163 /nfs/dbraw/zinc/08/41/63/160084163.db2.gz GEEMMTGCRAVIPX-DSZLRUIBSA-N 0 0 312.410 0.713 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C2(O)CCOCC2)C1 ZINC000408321412 160085007 /nfs/dbraw/zinc/08/50/07/160085007.db2.gz PEYWKLSTOAEVJE-STQMWFEESA-N 0 0 312.410 0.728 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO[C@@H]1C ZINC000408326332 160085589 /nfs/dbraw/zinc/08/55/89/160085589.db2.gz LHHUVZFTJZUDEO-GRYCIOLGSA-N 0 0 304.412 0.342 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cnn(C)c2SC)CC1 ZINC000408332576 160086856 /nfs/dbraw/zinc/08/68/56/160086856.db2.gz VFMIPLKBVPIQTJ-UHFFFAOYSA-N 0 0 311.411 0.629 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408344978 160089050 /nfs/dbraw/zinc/08/90/50/160089050.db2.gz CZCSYQJPHBMSSH-OCCSQVGLSA-N 0 0 318.439 0.758 10 0 DCAERN CN(C)c1ncc(CN2CCS(=O)(=O)C(C)(C)C2)n1C ZINC000408352598 160090362 /nfs/dbraw/zinc/09/03/62/160090362.db2.gz SCHWZCDGGKVLFC-UHFFFAOYSA-N 0 0 300.428 0.495 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1C ZINC000408359794 160091519 /nfs/dbraw/zinc/09/15/19/160091519.db2.gz WSNJNKVLUGAJPA-JTQLQIEISA-N 0 0 300.384 0.180 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(CC(C)C)C(=O)C2)CC(=O)N1 ZINC000408367125 160093360 /nfs/dbraw/zinc/09/33/60/160093360.db2.gz RLBRZOCXTSRLCM-OLZOCXBDSA-N 0 0 309.410 0.618 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408370289 160093762 /nfs/dbraw/zinc/09/37/62/160093762.db2.gz IZNZCMUQPUJRAS-CHWSQXEVSA-N 0 0 312.410 0.491 10 0 DCAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](CO)C1)N1CCCC1 ZINC000408373430 160094432 /nfs/dbraw/zinc/09/44/32/160094432.db2.gz LIBGSIKKKHDNSN-ZNMIVQPWSA-N 0 0 324.421 0.635 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000408373813 160094743 /nfs/dbraw/zinc/09/47/43/160094743.db2.gz MUYVNRYDDQYXDS-ZETCQYMHSA-N 0 0 318.424 0.339 10 0 DCAERN C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[C@@H]1O ZINC000408375502 160095093 /nfs/dbraw/zinc/09/50/93/160095093.db2.gz KPWBOGLEWPAIJM-FZMZJTMJSA-N 0 0 301.346 0.626 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@H](O)C3(C)C)cnc21 ZINC000408376070 160095288 /nfs/dbraw/zinc/09/52/88/160095288.db2.gz MHTWKQFXNRLIMU-JTQLQIEISA-N 0 0 318.333 0.020 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000408386595 160097464 /nfs/dbraw/zinc/09/74/64/160097464.db2.gz PKNWGKOYIBUVLD-UHFFFAOYSA-N 0 0 307.803 0.999 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CCO1 ZINC000408389030 160098119 /nfs/dbraw/zinc/09/81/19/160098119.db2.gz YMTCUIVZLLKQGB-QWRGUYRKSA-N 0 0 300.355 0.527 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000408393595 160098923 /nfs/dbraw/zinc/09/89/23/160098923.db2.gz KGFXPIVKGHZQJB-ZYHUDNBSSA-N 0 0 314.411 0.411 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000408394883 160099899 /nfs/dbraw/zinc/09/98/99/160099899.db2.gz RKGLQRPNMYRERX-QNWHQSFQSA-N 0 0 322.427 0.124 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000408405480 160101903 /nfs/dbraw/zinc/10/19/03/160101903.db2.gz MFIURNYDIYJZCX-AAVRWANBSA-N 0 0 310.394 0.507 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000408411441 160102640 /nfs/dbraw/zinc/10/26/40/160102640.db2.gz HMNVQUOXLUQPSR-WYUUTHIRSA-N 0 0 304.412 0.244 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H](O)C2CCCCC2)n1 ZINC000408413549 160103676 /nfs/dbraw/zinc/10/36/76/160103676.db2.gz DICALXULFJFVSI-XQQFMLRXSA-N 0 0 309.366 0.954 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C3(O)CCCC3)CCO2)n1 ZINC000408421931 160104107 /nfs/dbraw/zinc/10/41/07/160104107.db2.gz CREONBHFFZTRMX-ZDUSSCGKSA-N 0 0 308.382 0.427 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(F)c1 ZINC000408419863 160104482 /nfs/dbraw/zinc/10/44/82/160104482.db2.gz PFHPGDGQBJNEEB-BXKDBHETSA-N 0 0 320.324 0.667 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](CO)C1 ZINC000408446232 160109110 /nfs/dbraw/zinc/10/91/10/160109110.db2.gz ILBKGFOOPWZSLM-WDEREUQCSA-N 0 0 309.370 0.078 10 0 DCAERN CNS(=O)(=O)NCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000408454584 160112165 /nfs/dbraw/zinc/11/21/65/160112165.db2.gz VPWQOAUYVKTTSV-UHFFFAOYSA-N 0 0 303.428 0.610 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000408464307 160113719 /nfs/dbraw/zinc/11/37/19/160113719.db2.gz DUGRSCUCXPIYBJ-WFBYXXMGSA-N 0 0 322.336 0.860 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000408468601 160114152 /nfs/dbraw/zinc/11/41/52/160114152.db2.gz NVKOTYGOGFEOFJ-NEPJUHHUSA-N 0 0 311.382 0.449 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000408472716 160115297 /nfs/dbraw/zinc/11/52/97/160115297.db2.gz WREMLKGNWXDKER-QJPTWQEYSA-N 0 0 324.343 0.869 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1ncnn1C ZINC000408473567 160116471 /nfs/dbraw/zinc/11/64/71/160116471.db2.gz YMXFYJUJWQGXCE-VXGBXAGGSA-N 0 0 300.366 0.599 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000181318260 286845937 /nfs/dbraw/zinc/84/59/37/286845937.db2.gz OMPOETHIQJUYJM-UONOGXRCSA-N 0 0 305.378 0.963 10 0 DCAERN CC1(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)COC1 ZINC000112621306 286943253 /nfs/dbraw/zinc/94/32/53/286943253.db2.gz AVRPEURJOPUGBD-UHFFFAOYSA-N 0 0 324.402 0.993 10 0 DCAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000119920684 286949933 /nfs/dbraw/zinc/94/99/33/286949933.db2.gz VLKGMDKXLNWYNC-WDEREUQCSA-N 0 0 317.345 0.847 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCC1 ZINC000125651024 286967651 /nfs/dbraw/zinc/96/76/51/286967651.db2.gz CSEFMYRLJPNHIA-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCCO ZINC000126170954 286970141 /nfs/dbraw/zinc/97/01/41/286970141.db2.gz DTAGSKANFQUCKS-LLVKDONJSA-N 0 0 304.350 0.467 10 0 DCAERN CCc1cccc(CC(=O)NCCCN2C(=O)CNC2=O)c1 ZINC000128117336 286981236 /nfs/dbraw/zinc/98/12/36/286981236.db2.gz TXKFBIWROLFVGI-UHFFFAOYSA-N 0 0 303.362 0.850 10 0 DCAERN Cc1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c(C)n1 ZINC000129176360 286986653 /nfs/dbraw/zinc/98/66/53/286986653.db2.gz KKWJOXWWGJYROR-GFCCVEGCSA-N 0 0 311.407 0.710 10 0 DCAERN CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CCC1 ZINC000128624939 286983987 /nfs/dbraw/zinc/98/39/87/286983987.db2.gz UJONAPGAKBQVAB-JTQLQIEISA-N 0 0 314.411 0.536 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000130995960 286997621 /nfs/dbraw/zinc/99/76/21/286997621.db2.gz WPUAAZXRIKDUTQ-LBPRGKRZSA-N 0 0 322.365 0.467 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCCOc1ccc(F)cc1F ZINC000131051478 286998204 /nfs/dbraw/zinc/99/82/04/286998204.db2.gz XBNXFXVISMKQBU-UHFFFAOYSA-N 0 0 322.333 0.399 10 0 DCAERN C[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)N1CCCCC1 ZINC000131977556 287002933 /nfs/dbraw/zinc/00/29/33/287002933.db2.gz VYQLGCUYXPRBQH-STQMWFEESA-N 0 0 313.467 0.941 10 0 DCAERN CNC(=O)Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cs1 ZINC000132124027 287003802 /nfs/dbraw/zinc/00/38/02/287003802.db2.gz ZEAVQIODHUSMIA-RYUDHWBXSA-N 0 0 322.434 0.675 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O ZINC000132218542 287004219 /nfs/dbraw/zinc/00/42/19/287004219.db2.gz BBZCSSFKRIQMJC-RYUDHWBXSA-N 0 0 308.382 0.994 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000131405569 287000510 /nfs/dbraw/zinc/00/05/10/287000510.db2.gz OQOPNHOKSAIGCP-DGCLKSJQSA-N 0 0 318.373 0.826 10 0 DCAERN Cc1noc(CCNC(=O)c2cnc3c(c2)c(C)nn3C)n1 ZINC000131718235 287001689 /nfs/dbraw/zinc/00/16/89/287001689.db2.gz FXVIJCXQEHKECF-UHFFFAOYSA-N 0 0 300.322 0.941 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCCn1cccn1 ZINC000133956395 287014350 /nfs/dbraw/zinc/01/43/50/287014350.db2.gz MVCZNDYYSSTDQO-UHFFFAOYSA-N 0 0 304.354 0.635 10 0 DCAERN Cc1nnc(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)n1C ZINC000134314388 287015774 /nfs/dbraw/zinc/01/57/74/287015774.db2.gz SLTWPFVCYLFGSW-NSHDSACASA-N 0 0 301.416 0.026 10 0 DCAERN CCc1ccc(O)c(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000135574354 287023701 /nfs/dbraw/zinc/02/37/01/287023701.db2.gz DSCHTXYLLBEPQA-CYBMUJFWSA-N 0 0 308.378 0.378 10 0 DCAERN CN(C)[C@H](CNC(=O)c1cc(C(N)=O)cn1C)c1ccco1 ZINC000151093798 287031765 /nfs/dbraw/zinc/03/17/65/287031765.db2.gz PBMAEDRKIYXFEG-GFCCVEGCSA-N 0 0 304.350 0.750 10 0 DCAERN 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318.373 0.960 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@H]1CCCO1 ZINC000245854150 287073863 /nfs/dbraw/zinc/07/38/63/287073863.db2.gz BZBLKIRPQZAADD-SDDRHHMPSA-N 0 0 304.412 0.773 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](OC)C1 ZINC000246064492 287076023 /nfs/dbraw/zinc/07/60/23/287076023.db2.gz BDNQADDOVMXFRP-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)[C@@H](C)CO1 ZINC000246280181 287080461 /nfs/dbraw/zinc/08/04/61/287080461.db2.gz VNUBVQJBMZTCCU-QWRGUYRKSA-N 0 0 300.384 0.262 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000246278256 287080481 /nfs/dbraw/zinc/08/04/81/287080481.db2.gz HOQYBCPWRNADNJ-LAEOZQHASA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000246297490 287080753 /nfs/dbraw/zinc/08/07/53/287080753.db2.gz BRYLDUPQNFGQQS-GRYCIOLGSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000246321531 287080983 /nfs/dbraw/zinc/08/09/83/287080983.db2.gz YTSCWWWBOGMVEQ-CHWSQXEVSA-N 0 0 306.428 0.436 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246196591 287078833 /nfs/dbraw/zinc/07/88/33/287078833.db2.gz LPKNDJVGVAPDOL-PLMOITTCSA-N 0 0 310.300 0.735 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCN1C[C@H](C)O ZINC000246196209 287078851 /nfs/dbraw/zinc/07/88/51/287078851.db2.gz OMJGARAGYXUWIY-BFHYXJOUSA-N 0 0 320.455 0.272 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000246869424 287088601 /nfs/dbraw/zinc/08/86/01/287088601.db2.gz AISNSQBKWMWBCM-FRRDWIJNSA-N 0 0 321.421 0.938 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247186236 287091810 /nfs/dbraw/zinc/09/18/10/287091810.db2.gz UZFDUPQDFONTRR-FRRDWIJNSA-N 0 0 302.440 0.800 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248383556 287096509 /nfs/dbraw/zinc/09/65/09/287096509.db2.gz AMHRPEAYGCNEAA-IPYPFGDCSA-N 0 0 313.442 0.451 10 0 DCAERN 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Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000248603448 685176147 /nfs/dbraw/zinc/17/61/47/685176147.db2.gz UYRDSFNXLPJEFX-IUCAKERBSA-N 0 0 307.803 0.773 10 0 DCAERN O=S1(=O)CCC[C@H](NCc2nc(Br)c[nH]2)C1 ZINC000380732880 685237541 /nfs/dbraw/zinc/23/75/41/685237541.db2.gz QQRKQJNMAWNOMF-ZETCQYMHSA-N 0 0 308.201 0.839 10 0 DCAERN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCOC)C(=O)[C@@H]13)O2 ZINC000015989221 415150206 /nfs/dbraw/zinc/15/02/06/415150206.db2.gz WOASBWCMPINWIO-OQMKEHIESA-N 0 0 309.362 0.758 10 0 DCAERN OCCO[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000265260181 415125809 /nfs/dbraw/zinc/12/58/09/415125809.db2.gz YFOWVUIBYSNGHV-KGLIPLIRSA-N 0 0 322.409 0.415 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000265312141 415131087 /nfs/dbraw/zinc/13/10/87/415131087.db2.gz FNAZZAUNWWNVFZ-STQMWFEESA-N 0 0 324.402 0.388 10 0 DCAERN CCN1CCN(CC(=O)N[C@H](C)c2cccs2)C(=O)C1=O ZINC000045016826 415244169 /nfs/dbraw/zinc/24/41/69/415244169.db2.gz PYNIXPBUUMUAES-SNVBAGLBSA-N 0 0 309.391 0.616 10 0 DCAERN CCCC(=O)NCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000045912233 415256749 /nfs/dbraw/zinc/25/67/49/415256749.db2.gz NBNMPTLHQDBHEX-UHFFFAOYSA-N 0 0 320.393 0.451 10 0 DCAERN C[C@@H](CNC(=O)NCCCNc1ccccn1)N1CCOCC1 ZINC000046261520 415259619 /nfs/dbraw/zinc/25/96/19/415259619.db2.gz FJVAUXMUARKGQE-AWEZNQCLSA-N 0 0 321.425 0.904 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000053004983 415318739 /nfs/dbraw/zinc/31/87/39/415318739.db2.gz JHBJLCRXCJUTFI-LLVKDONJSA-N 0 0 322.390 0.879 10 0 DCAERN CC1(C)CN(C(=O)Cn2cnc3c2ncnc3N)CC(C)(C)O1 ZINC000275958627 415400178 /nfs/dbraw/zinc/40/01/78/415400178.db2.gz HYUJCEAYHFVLHJ-UHFFFAOYSA-N 0 0 318.381 0.825 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000074376098 415427051 /nfs/dbraw/zinc/42/70/51/415427051.db2.gz MELLNZYXEOBQOV-VXGBXAGGSA-N 0 0 310.398 0.260 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000343184682 415490846 /nfs/dbraw/zinc/49/08/46/415490846.db2.gz XNPZNXZXWZJDNV-RKDXNWHRSA-N 0 0 307.318 0.735 10 0 DCAERN C[C@@H](O)C[C@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332846664 415493795 /nfs/dbraw/zinc/49/37/95/415493795.db2.gz OVXMXZCUYXYJEI-YIYPIFLZSA-N 0 0 323.397 0.553 10 0 DCAERN CC[C@@H](NC(=O)Cn1c2ccccc2n(CC)c1=O)C(=O)OC ZINC000084277985 415497901 /nfs/dbraw/zinc/49/79/01/415497901.db2.gz AXQRQQDHADMPMH-LLVKDONJSA-N 0 0 319.361 0.891 10 0 DCAERN CCOCCNC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000084694612 415500690 /nfs/dbraw/zinc/50/06/90/415500690.db2.gz RINJRIYYCPEINT-HNNXBMFYSA-N 0 0 319.405 0.876 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@H]21 ZINC000332761544 415465000 /nfs/dbraw/zinc/46/50/00/415465000.db2.gz STTZADZCQGZGFI-JWCBKOKGSA-N 0 0 315.439 0.012 10 0 DCAERN CO[C@@]1(C)C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332771850 415470328 /nfs/dbraw/zinc/47/03/28/415470328.db2.gz LUYJNMRHNGDURC-OXIQGZBJSA-N 0 0 323.397 0.721 10 0 DCAERN C[C@H]1C[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332784110 415473302 /nfs/dbraw/zinc/47/33/02/415473302.db2.gz MVNUCABGAPISEP-ZDEQEGDKSA-N 0 0 309.370 0.332 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000276623840 415477211 /nfs/dbraw/zinc/47/72/11/415477211.db2.gz KBBZESCLHYBOLD-ZDUSSCGKSA-N 0 0 316.409 0.899 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000088234615 415515124 /nfs/dbraw/zinc/51/51/24/415515124.db2.gz MIFDERBTOWAFCB-VIFPVBQESA-N 0 0 305.313 0.702 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(F)ccc2C)C1 ZINC000091414242 415535331 /nfs/dbraw/zinc/53/53/31/415535331.db2.gz KSYBJRJIFLTPGB-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN COCCN1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834661 415538826 /nfs/dbraw/zinc/53/88/26/415538826.db2.gz UWECKEVJWZAZPV-OAHLLOKOSA-N 0 0 322.405 0.525 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cnn1C(C)C ZINC000092463084 415540531 /nfs/dbraw/zinc/54/05/31/415540531.db2.gz XBBAXOANXQKUIZ-LLVKDONJSA-N 0 0 314.411 0.536 10 0 DCAERN O=C([O-])[C@@H]1C[NH2+]CCN1Cc1ccnc(Br)c1 ZINC000095073789 415548008 /nfs/dbraw/zinc/54/80/08/415548008.db2.gz IBRPISLAZRGREG-VIFPVBQESA-N 0 0 300.156 0.703 10 0 DCAERN Cn1nc2n(c1=O)CCN(c1nc(C3CC3)nc3c1CCC3)C2 ZINC000095980579 415567579 /nfs/dbraw/zinc/56/75/79/415567579.db2.gz BUAKFZOTUFKHAG-UHFFFAOYSA-N 0 0 312.377 0.758 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)no1 ZINC000103044092 415606562 /nfs/dbraw/zinc/60/65/62/415606562.db2.gz OLEJYOHIHZPLSX-NWDGAFQWSA-N 0 0 306.366 0.637 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000105216456 415632710 /nfs/dbraw/zinc/63/27/10/415632710.db2.gz WTDACQITTMYRIS-FRRDWIJNSA-N 0 0 310.402 0.075 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCCOCC1 ZINC000333423138 415645280 /nfs/dbraw/zinc/64/52/80/415645280.db2.gz GKLZKKWHPFUBOD-QWRGUYRKSA-N 0 0 305.400 0.018 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000333239819 415592687 /nfs/dbraw/zinc/59/26/87/415592687.db2.gz IHWVRYRKMXHGJN-XPKDYRNWSA-N 0 0 310.394 0.794 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000102751684 415598818 /nfs/dbraw/zinc/59/88/18/415598818.db2.gz IVDMXZHCHVYXBT-NEPJUHHUSA-N 0 0 318.439 0.704 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N[C@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276920 415598981 /nfs/dbraw/zinc/59/89/81/415598981.db2.gz DMFCRKFBNFSMNL-XBFCOCLRSA-N 0 0 324.402 0.889 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NCCN2CCSCC2)CCO1 ZINC000333452601 415651947 /nfs/dbraw/zinc/65/19/47/415651947.db2.gz SBPRCURSVMJJLT-NEPJUHHUSA-N 0 0 308.469 0.522 10 0 DCAERN COCCNC(=O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106902216 415652882 /nfs/dbraw/zinc/65/28/82/415652882.db2.gz QRMXLTJVZFFWLW-CQSZACIVSA-N 0 0 307.394 0.038 10 0 DCAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)C2(C)CC2)C1=O ZINC000333462545 415654827 /nfs/dbraw/zinc/65/48/27/415654827.db2.gz UXBDDXLIWFENNM-JTQLQIEISA-N 0 0 312.395 0.387 10 0 DCAERN COC(=O)NCCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000107574074 415668248 /nfs/dbraw/zinc/66/82/48/415668248.db2.gz HIZISOXNSSPICQ-UHFFFAOYSA-N 0 0 303.322 0.630 10 0 DCAERN C[C@]1(F)CNCCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000333503450 415670157 /nfs/dbraw/zinc/67/01/57/415670157.db2.gz DNXKGPRFUFBOCS-AAEUAGOBSA-N 0 0 321.418 0.297 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC000107705324 415670537 /nfs/dbraw/zinc/67/05/37/415670537.db2.gz VLHWZQSSEFWCHQ-XQQFMLRXSA-N 0 0 306.428 0.699 10 0 DCAERN CC(=O)c1cnc(NC(=O)c2coc(S(N)(=O)=O)c2)s1 ZINC000343669758 415678732 /nfs/dbraw/zinc/67/87/32/415678732.db2.gz VLDPADHDHPDVJU-UHFFFAOYSA-N 0 0 315.332 0.838 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C2CC2)C1 ZINC000333594210 415693649 /nfs/dbraw/zinc/69/36/49/415693649.db2.gz PMOBLJAJWLWLIT-LLVKDONJSA-N 0 0 311.407 0.336 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cnn(C)c1)CC2 ZINC000114977910 415724625 /nfs/dbraw/zinc/72/46/25/415724625.db2.gz VYZCYERKNIYHGG-LBPRGKRZSA-N 0 0 317.397 0.730 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1F ZINC000119260696 415741383 /nfs/dbraw/zinc/74/13/83/415741383.db2.gz ZBMMFHLMOHIUGR-UHFFFAOYSA-N 0 0 307.325 0.627 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C)c1)[C@H](C)CO ZINC000120523140 415769917 /nfs/dbraw/zinc/76/99/17/415769917.db2.gz UTYNMYBTEBZYMD-GHMZBOCLSA-N 0 0 314.407 0.684 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120510570 415769929 /nfs/dbraw/zinc/76/99/29/415769929.db2.gz LFYZJKGQMZDAFA-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000122342968 415831722 /nfs/dbraw/zinc/83/17/22/415831722.db2.gz XEWAQYQPKUVYSO-GFCCVEGCSA-N 0 0 324.402 0.887 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000124651180 415851972 /nfs/dbraw/zinc/85/19/72/415851972.db2.gz GKFAPWIQNSPGIA-UHFFFAOYSA-N 0 0 320.397 0.875 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(Cn3ccnn3)CC2)CCC1=O ZINC000121271672 415799461 /nfs/dbraw/zinc/79/94/61/415799461.db2.gz SCBPXNAZXHWLKO-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/95/27/03/415952703.db2.gz RQSIPKTYIRYFBK-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CCC[C@@H]1O ZINC000134025662 415954493 /nfs/dbraw/zinc/95/44/93/415954493.db2.gz DIKITXSWJPZUGK-IRXDYDNUSA-N 0 0 317.433 0.834 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000152783214 415971208 /nfs/dbraw/zinc/97/12/08/415971208.db2.gz XIDBZUGROGKJKS-KBPBESRZSA-N 0 0 303.362 0.885 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1ccccn1 ZINC000153058047 415975012 /nfs/dbraw/zinc/97/50/12/415975012.db2.gz BXBPTQJVEQKPSL-CYBMUJFWSA-N 0 0 318.421 0.681 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)s1 ZINC000344757278 415983613 /nfs/dbraw/zinc/98/36/13/415983613.db2.gz GWRTVTGBPQFEAM-JGVFFNPUSA-N 0 0 323.371 0.195 10 0 DCAERN CC(=O)c1ccc(N2CCN(c3nccn(C)c3=O)CC2)nc1 ZINC000356781546 415985835 /nfs/dbraw/zinc/98/58/35/415985835.db2.gz BRPHTASXJMCLCC-UHFFFAOYSA-N 0 0 313.361 0.705 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000154020496 415990361 /nfs/dbraw/zinc/99/03/61/415990361.db2.gz DAHKBTCJGWLDTI-UHFFFAOYSA-N 0 0 315.786 0.801 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1C ZINC000132340891 415933292 /nfs/dbraw/zinc/93/32/92/415933292.db2.gz GKUMCLCSOQSJMG-GHMZBOCLSA-N 0 0 303.366 0.635 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC2(COC)CCC2)c1 ZINC000357203270 416043988 /nfs/dbraw/zinc/04/39/88/416043988.db2.gz QVJAXJNVZJTRPK-UHFFFAOYSA-N 0 0 312.391 0.894 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@H]2CCN(C)C2=O)n1 ZINC000172369909 416045173 /nfs/dbraw/zinc/04/51/73/416045173.db2.gz SPXFYPMIKJGXCY-JTQLQIEISA-N 0 0 309.370 0.656 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C)[C@H](C)C1 ZINC000357205839 416045383 /nfs/dbraw/zinc/04/53/83/416045383.db2.gz QBWZSUWALMRHSA-NWDGAFQWSA-N 0 0 303.428 0.658 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357208523 416045552 /nfs/dbraw/zinc/04/55/52/416045552.db2.gz WMFJVHCGXYVXPJ-LLVKDONJSA-N 0 0 312.391 0.937 10 0 DCAERN CCNC(=O)c1ccc(NC[C@@H]2CCc3nccn3C2)nn1 ZINC000345118671 416047733 /nfs/dbraw/zinc/04/77/33/416047733.db2.gz YDOMNOUWRXBOSP-NSHDSACASA-N 0 0 300.366 1.097 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173131247 416054351 /nfs/dbraw/zinc/05/43/51/416054351.db2.gz ARMOZMSFXVBRBX-AWEZNQCLSA-N 0 0 321.352 0.569 10 0 DCAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173354558 416057532 /nfs/dbraw/zinc/05/75/32/416057532.db2.gz DMHZWOQDDHOEMY-GWCFXTLKSA-N 0 0 307.398 0.934 10 0 DCAERN CC(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000357297412 416058284 /nfs/dbraw/zinc/05/82/84/416058284.db2.gz CNCCGROVQSVHKJ-MWLCHTKSSA-N 0 0 307.316 0.702 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC000173478060 416059092 /nfs/dbraw/zinc/05/90/92/416059092.db2.gz IEHCEVRICXONSH-SECBINFHSA-N 0 0 303.366 0.492 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CN3CCCCC3=O)CCO2)[nH]1 ZINC000173557863 416059560 /nfs/dbraw/zinc/05/95/60/416059560.db2.gz KMFCMXFIIRHXST-LLVKDONJSA-N 0 0 321.381 0.280 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)[nH]1 ZINC000173600180 416061761 /nfs/dbraw/zinc/06/17/61/416061761.db2.gz XVTFATZPQPUGMU-LBPRGKRZSA-N 0 0 313.321 0.598 10 0 DCAERN CC[C@@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)N1CCCC1=O ZINC000173591344 416062292 /nfs/dbraw/zinc/06/22/92/416062292.db2.gz CMILBYORGOVMGS-KBPBESRZSA-N 0 0 309.410 0.367 10 0 DCAERN COc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000173767958 416063421 /nfs/dbraw/zinc/06/34/21/416063421.db2.gz VNWPMXZCUZLICO-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN NC(=O)Cn1cc(C(=O)N(Cc2ccco2)C2CCCC2)nn1 ZINC000173749907 416064283 /nfs/dbraw/zinc/06/42/83/416064283.db2.gz MNDGXHUAXFKFKH-UHFFFAOYSA-N 0 0 317.349 0.941 10 0 DCAERN CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173845146 416065346 /nfs/dbraw/zinc/06/53/46/416065346.db2.gz COHPROUTMNNVOB-ZIAGYGMSSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)Cn1cccn1 ZINC000173788183 416065392 /nfs/dbraw/zinc/06/53/92/416065392.db2.gz DFGWBUUHHKIUCI-GJZGRUSLSA-N 0 0 321.425 0.635 10 0 DCAERN O=C(CNC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCCC1 ZINC000173785081 416066054 /nfs/dbraw/zinc/06/60/54/416066054.db2.gz ZGFGALRPHZECHZ-AWEZNQCLSA-N 0 0 324.425 0.115 10 0 DCAERN Cc1cnn(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173855910 416068433 /nfs/dbraw/zinc/06/84/33/416068433.db2.gz OTQPEBNDNZZNPB-HUUCEWRRSA-N 0 0 306.410 0.761 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000173971069 416070438 /nfs/dbraw/zinc/07/04/38/416070438.db2.gz NNDGEMGOYKPQBU-DOMZBBRYSA-N 0 0 317.389 0.578 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174206536 416076312 /nfs/dbraw/zinc/07/63/12/416076312.db2.gz QHAXTOKXDIWPKF-HUUCEWRRSA-N 0 0 312.410 0.220 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@@H](C)CO ZINC000158821219 416003320 /nfs/dbraw/zinc/00/33/20/416003320.db2.gz AFEFFVAKKBAMLO-JGVFFNPUSA-N 0 0 307.393 0.830 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000166771475 416022895 /nfs/dbraw/zinc/02/28/95/416022895.db2.gz DAFFKOSUOMYUAB-NSHDSACASA-N 0 0 311.288 0.640 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683596 416028908 /nfs/dbraw/zinc/02/89/08/416028908.db2.gz IYDMYFWOXGCCLA-LBPRGKRZSA-N 0 0 311.769 0.725 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000298829337 416031357 /nfs/dbraw/zinc/03/13/57/416031357.db2.gz HJXRVGLWEHQSGJ-SUNKGSAMSA-N 0 0 304.346 0.952 10 0 DCAERN CNC(=O)c1cccnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000301545925 416086881 /nfs/dbraw/zinc/08/68/81/416086881.db2.gz DOIMHHNFYVEICJ-TZMCWYRMSA-N 0 0 304.394 0.598 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC(n2cncn2)CC1 ZINC000175095849 416095398 /nfs/dbraw/zinc/09/53/98/416095398.db2.gz FFTQGBRLZRCVBU-UHFFFAOYSA-N 0 0 302.400 0.670 10 0 DCAERN Cc1nccn1CCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175122762 416097736 /nfs/dbraw/zinc/09/77/36/416097736.db2.gz LSVVEKRGSWZZHD-CYBMUJFWSA-N 0 0 317.397 0.877 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(F)c1 ZINC000357588715 416100283 /nfs/dbraw/zinc/10/02/83/416100283.db2.gz ZOUDLDLBFITAKI-SECBINFHSA-N 0 0 309.297 0.495 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000175219809 416101400 /nfs/dbraw/zinc/10/14/00/416101400.db2.gz QVCYDNNYTYYSJU-LLVKDONJSA-N 0 0 300.380 0.257 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000175310723 416102633 /nfs/dbraw/zinc/10/26/33/416102633.db2.gz UYYVHRUBZHHURZ-UHFFFAOYSA-N 0 0 311.407 0.695 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000345496508 416105281 /nfs/dbraw/zinc/10/52/81/416105281.db2.gz XLLCCZJBBHWIOI-RYUDHWBXSA-N 0 0 324.343 0.869 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC(N)=O ZINC000175444617 416106390 /nfs/dbraw/zinc/10/63/90/416106390.db2.gz LGEOCTXFGUVDPP-RISCZKNCSA-N 0 0 305.378 0.823 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000345513662 416107561 /nfs/dbraw/zinc/10/75/61/416107561.db2.gz RBDPPAYICDEWCP-STQMWFEESA-N 0 0 302.334 0.694 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCC[C@@](O)(CO)C2)cc1 ZINC000313630975 416108306 /nfs/dbraw/zinc/10/83/06/416108306.db2.gz PWHQOIRCSILKOT-INIZCTEOSA-N 0 0 306.362 0.647 10 0 DCAERN CCOCCNC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000175943232 416116018 /nfs/dbraw/zinc/11/60/18/416116018.db2.gz HTNHPAMNCQRQBM-UHFFFAOYSA-N 0 0 324.425 0.208 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000175947923 416117064 /nfs/dbraw/zinc/11/70/64/416117064.db2.gz AJUULLNLZWRTGY-ZDUSSCGKSA-N 0 0 309.414 0.630 10 0 DCAERN CCOCCNC(=O)CN1CCC(c2nncn2CC)CC1 ZINC000175964215 416118843 /nfs/dbraw/zinc/11/88/43/416118843.db2.gz YGJHOWLFJFFWFH-UHFFFAOYSA-N 0 0 309.414 0.630 10 0 DCAERN COCCOCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175965863 416119276 /nfs/dbraw/zinc/11/92/76/416119276.db2.gz MGVNFIMVVVHFJP-JTQLQIEISA-N 0 0 300.277 0.358 10 0 DCAERN COC(=O)C[C@H](C)S(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000357712445 416119651 /nfs/dbraw/zinc/11/96/51/416119651.db2.gz AHERLRGZMNBHEO-ZETCQYMHSA-N 0 0 307.397 0.471 10 0 DCAERN COC[C@H](CO)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357713387 416120013 /nfs/dbraw/zinc/12/00/13/416120013.db2.gz SZOKJAMXEYVRAM-JTQLQIEISA-N 0 0 303.318 0.586 10 0 DCAERN CC(CO)(CO)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000357724658 416121621 /nfs/dbraw/zinc/12/16/21/416121621.db2.gz DAQGNYMKEPCZJK-CYBMUJFWSA-N 0 0 322.361 0.277 10 0 DCAERN Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c(C)n1 ZINC000176572710 416128938 /nfs/dbraw/zinc/12/89/38/416128938.db2.gz LFRHLDCOKINSIC-CQSZACIVSA-N 0 0 307.394 0.464 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176888639 416137013 /nfs/dbraw/zinc/13/70/13/416137013.db2.gz JIADHDWHJNYITL-CBAPKCEASA-N 0 0 303.302 0.193 10 0 DCAERN COCCCS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176991431 416137479 /nfs/dbraw/zinc/13/74/79/416137479.db2.gz XAKZSTTZSASUKE-STQMWFEESA-N 0 0 306.428 0.005 10 0 DCAERN CCN1CCC[C@H]1CN(C)C(=O)CS(=O)(=O)CC(C)C ZINC000176999966 416138599 /nfs/dbraw/zinc/13/85/99/416138599.db2.gz DOMDWOFVUZJCFH-ZDUSSCGKSA-N 0 0 304.456 1.000 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000177525595 416147525 /nfs/dbraw/zinc/14/75/25/416147525.db2.gz KZHCLJNLBGVUMX-HBBFGDNQSA-N 0 0 306.362 0.482 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1(CO)CCCC1 ZINC000177688640 416149689 /nfs/dbraw/zinc/14/96/89/416149689.db2.gz CJDZQDXRLRHKQG-NSHDSACASA-N 0 0 323.397 0.864 10 0 DCAERN Cc1oc(-c2cccs2)nc1CS(=O)(=O)C[C@@H](O)CO ZINC000177673499 416149745 /nfs/dbraw/zinc/14/97/45/416149745.db2.gz RYSSZDUAUVITFM-VIFPVBQESA-N 0 0 317.388 0.980 10 0 DCAERN CC(C)=C(F)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000177679225 416150240 /nfs/dbraw/zinc/15/02/40/416150240.db2.gz CCMGNWIDPOQXMY-LBPRGKRZSA-N 0 0 313.373 0.299 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)CC1=O ZINC000177759007 416151046 /nfs/dbraw/zinc/15/10/46/416151046.db2.gz NKXXXRHFVNTOEG-ZIAGYGMSSA-N 0 0 320.393 0.369 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177764385 416151731 /nfs/dbraw/zinc/15/17/31/416151731.db2.gz ZAPJRXGHDWRIPR-GFCCVEGCSA-N 0 0 303.370 0.684 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)NC2CCOCC2)C1 ZINC000178530487 416166445 /nfs/dbraw/zinc/16/64/45/416166445.db2.gz SERFDIFUUZUIEW-GFCCVEGCSA-N 0 0 312.410 0.945 10 0 DCAERN O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@@H]1CN2CCN1CC2 ZINC000178628039 416167213 /nfs/dbraw/zinc/16/72/13/416167213.db2.gz BZGHSQTXRWYQPE-CQSZACIVSA-N 0 0 316.380 0.966 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178707824 416168813 /nfs/dbraw/zinc/16/88/13/416168813.db2.gz NYEHADMRFHYSFF-KBPBESRZSA-N 0 0 321.402 0.974 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(C)C ZINC000178809951 416173767 /nfs/dbraw/zinc/17/37/67/416173767.db2.gz TZHRLTZCNRJIST-TZMCWYRMSA-N 0 0 319.409 0.730 10 0 DCAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)C(=O)N(C)C ZINC000178874303 416176776 /nfs/dbraw/zinc/17/67/76/416176776.db2.gz RIUNFIBXMDTQTF-GFCCVEGCSA-N 0 0 321.425 0.861 10 0 DCAERN O=C(N[C@H]1CCOC1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178939069 416177425 /nfs/dbraw/zinc/17/74/25/416177425.db2.gz FJYYYYWVYXXELS-CMPLNLGQSA-N 0 0 310.375 0.993 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000182843080 416233481 /nfs/dbraw/zinc/23/34/81/416233481.db2.gz RGBZAHPMAUHBJI-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000179159461 416182262 /nfs/dbraw/zinc/18/22/62/416182262.db2.gz SMKQJGJEPILIBT-CYBMUJFWSA-N 0 0 318.333 0.860 10 0 DCAERN CN(CC1CCOCC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179373191 416187469 /nfs/dbraw/zinc/18/74/69/416187469.db2.gz ZRWJSSBGZIZARW-UHFFFAOYSA-N 0 0 312.391 0.833 10 0 DCAERN COC[C@H](O)CCNC(=O)NCc1cccnc1-n1cccn1 ZINC000179464045 416189406 /nfs/dbraw/zinc/18/94/06/416189406.db2.gz AJUWWZIEYICLSE-CYBMUJFWSA-N 0 0 319.365 0.464 10 0 DCAERN Cc1ccnc2c1NC(=O)CN2C(=O)CNC(=O)C(C)(C)C ZINC000181041799 416202486 /nfs/dbraw/zinc/20/24/86/416202486.db2.gz DYKVVUNOWHWURY-UHFFFAOYSA-N 0 0 304.350 0.837 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181391679 416205890 /nfs/dbraw/zinc/20/58/90/416205890.db2.gz LBRYYXWPVDUTBC-MNOVXSKESA-N 0 0 309.395 0.780 10 0 DCAERN COc1cccc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1O ZINC000181455976 416208168 /nfs/dbraw/zinc/20/81/68/416208168.db2.gz KOFGLIBDAJHUBJ-CYBMUJFWSA-N 0 0 316.361 0.921 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)NCc2nccn2CC(C)C)CCO1 ZINC000181643316 416209575 /nfs/dbraw/zinc/20/95/75/416209575.db2.gz FYHLSYIPQOFGNG-GFCCVEGCSA-N 0 0 323.397 0.196 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729936 416211751 /nfs/dbraw/zinc/21/17/51/416211751.db2.gz CAGPFVPRZHGQSQ-JTQLQIEISA-N 0 0 301.416 0.502 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H](CO)C1CC1 ZINC000358338623 416224583 /nfs/dbraw/zinc/22/45/83/416224583.db2.gz MYZIPQRMFVVPTP-LLVKDONJSA-N 0 0 302.330 0.417 10 0 DCAERN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182553105 416226468 /nfs/dbraw/zinc/22/64/68/416226468.db2.gz XYWBRHMIXJNHEC-WCQYABFASA-N 0 0 306.366 0.599 10 0 DCAERN Cc1ccc(CN(CCO)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000182620347 416227830 /nfs/dbraw/zinc/22/78/30/416227830.db2.gz KJKISNCWFIDUFL-MRXNPFEDSA-N 0 0 321.421 0.830 10 0 DCAERN Cn1ccnc(NC(=O)NCCNC(=O)c2ccccc2)c1=O ZINC000182727331 416229902 /nfs/dbraw/zinc/22/99/02/416229902.db2.gz ODHUXFIRVWUANT-UHFFFAOYSA-N 0 0 315.333 0.332 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000182846305 416232240 /nfs/dbraw/zinc/23/22/40/416232240.db2.gz BTAFGMNCJMVCCB-AWEZNQCLSA-N 0 0 305.338 0.180 10 0 DCAERN COCCc1cc(NC(=O)CN2CCCCCC2=O)n(C)n1 ZINC000178124849 416158094 /nfs/dbraw/zinc/15/80/94/416158094.db2.gz OSSSEJQRZXBBJQ-UHFFFAOYSA-N 0 0 308.382 0.950 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000178214464 416159481 /nfs/dbraw/zinc/15/94/81/416159481.db2.gz UYCAFYUKLQDURF-CQSZACIVSA-N 0 0 318.483 0.995 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CCOC[C@H](C)C1)c1ccccc1 ZINC000357959423 416160370 /nfs/dbraw/zinc/16/03/70/416160370.db2.gz MKXFGXIMNRFZKW-HIFRSBDPSA-N 0 0 320.389 0.985 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)N(CC)CC ZINC000178336762 416160657 /nfs/dbraw/zinc/16/06/57/416160657.db2.gz QZUXSXXEARYCLZ-GFCCVEGCSA-N 0 0 305.444 0.906 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H](CC(N)=O)c2ccccc2)cn1 ZINC000358449332 416240178 /nfs/dbraw/zinc/24/01/78/416240178.db2.gz RULVVWLCOBTLOF-ZDUSSCGKSA-N 0 0 302.334 0.532 10 0 DCAERN CC(CO)(CO)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000183509106 416244410 /nfs/dbraw/zinc/24/44/10/416244410.db2.gz LNTOIDKJDBICAJ-UHFFFAOYSA-N 0 0 308.256 0.496 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000183685512 416247942 /nfs/dbraw/zinc/24/79/42/416247942.db2.gz TWHIEDVKOXCIAM-UHFFFAOYSA-N 0 0 316.317 0.819 10 0 DCAERN COC[C@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183728446 416248286 /nfs/dbraw/zinc/24/82/86/416248286.db2.gz DUQGHFMPQPJAIZ-NSHDSACASA-N 0 0 311.357 0.956 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C)(CO)CC1)CC2 ZINC000184730261 416252051 /nfs/dbraw/zinc/25/20/51/416252051.db2.gz BSBNFRRJVUYSBB-GFCCVEGCSA-N 0 0 321.425 0.959 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC(F)(F)CO)[C@@H]1c1cccnc1 ZINC000186101509 416257209 /nfs/dbraw/zinc/25/72/09/416257209.db2.gz GTIBHAMSLWYVQU-JQWIXIFHSA-N 0 0 313.304 0.345 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)[C@@H]2CO)cc1 ZINC000189462910 416265904 /nfs/dbraw/zinc/26/59/04/416265904.db2.gz VGUMITKULFUWPI-RISCZKNCSA-N 0 0 306.362 0.654 10 0 DCAERN COC(=O)[C@H](NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809152 416276669 /nfs/dbraw/zinc/27/66/69/416276669.db2.gz JEEXSYOVWNECBB-HIFRSBDPSA-N 0 0 314.451 0.736 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)cc1 ZINC000183181434 416236072 /nfs/dbraw/zinc/23/60/72/416236072.db2.gz KTOQSCYVNBPERH-UGZDLDLSSA-N 0 0 318.420 0.092 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)C[S@@](C)=O ZINC000183206080 416237959 /nfs/dbraw/zinc/23/79/59/416237959.db2.gz ZMKAFJDPJXGRKZ-QVHKOIDPSA-N 0 0 313.832 0.427 10 0 DCAERN CCCn1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cn1 ZINC000183207851 416238513 /nfs/dbraw/zinc/23/85/13/416238513.db2.gz UUTMVPZUQOZLSG-LBPRGKRZSA-N 0 0 304.354 0.933 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cncc(F)c1 ZINC000359069434 416305811 /nfs/dbraw/zinc/30/58/11/416305811.db2.gz WXLRJVRCIABRFW-KCJUWKMLSA-N 0 0 301.343 0.768 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000192749326 416309820 /nfs/dbraw/zinc/30/98/20/416309820.db2.gz CDHKMTBSPYISEI-UHFFFAOYSA-N 0 0 302.334 0.067 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000193368288 416315424 /nfs/dbraw/zinc/31/54/24/416315424.db2.gz NCPDXDZAUBYQEP-ZDUSSCGKSA-N 0 0 318.377 0.262 10 0 DCAERN CCCCOC[C@@H](O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000193367661 416315745 /nfs/dbraw/zinc/31/57/45/416315745.db2.gz OPWDCTCWVMCPIT-HNNXBMFYSA-N 0 0 313.442 0.060 10 0 DCAERN Cn1nnc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000193494049 416317906 /nfs/dbraw/zinc/31/79/06/416317906.db2.gz WQFMLCIJCIIYMR-BXUZGUMPSA-N 0 0 320.784 0.925 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCc2nc(N(C)C)no2)[nH]n1 ZINC000358814557 416279008 /nfs/dbraw/zinc/27/90/08/416279008.db2.gz URPMDQDRORCWRE-MRVPVSSYSA-N 0 0 307.358 0.598 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000190437459 416279519 /nfs/dbraw/zinc/27/95/19/416279519.db2.gz PURHVPZEKNTQPU-DGCLKSJQSA-N 0 0 318.439 0.684 10 0 DCAERN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000191972270 416293025 /nfs/dbraw/zinc/29/30/25/416293025.db2.gz CCQPEVYRGPLYJJ-SNVBAGLBSA-N 0 0 321.381 0.433 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCN(Cc2cocn2)CC1 ZINC000191940496 416293814 /nfs/dbraw/zinc/29/38/14/416293814.db2.gz ORKUNNZFVUJDMG-ZDUSSCGKSA-N 0 0 310.398 0.333 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCCn1cccn1 ZINC000191995986 416295596 /nfs/dbraw/zinc/29/55/96/416295596.db2.gz FAWVUOCTELSWNF-LLVKDONJSA-N 0 0 316.365 0.806 10 0 DCAERN CN1CC[C@H](C(=O)N2CCNC[C@@H]2c2cccnc2)CC1=O ZINC000261948067 416335899 /nfs/dbraw/zinc/33/58/99/416335899.db2.gz LGTQHJOAFOHIEJ-GXTWGEPZSA-N 0 0 302.378 0.423 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)[S@](=O)Cc1ccnc(C)n1 ZINC000359357854 416343395 /nfs/dbraw/zinc/34/33/95/416343395.db2.gz DVAHPYNZSDNQTE-WSVYEEACSA-N 0 0 313.423 0.965 10 0 DCAERN CCc1nc(CN2CCN([C@H](C(=O)OC)C3CC3)CC2)no1 ZINC000359579034 416351146 /nfs/dbraw/zinc/35/11/46/416351146.db2.gz CQRFFEYTXZTFIC-AWEZNQCLSA-N 0 0 308.382 0.701 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000359587684 416351796 /nfs/dbraw/zinc/35/17/96/416351796.db2.gz FUZCROLFFWTEHF-BXUZGUMPSA-N 0 0 309.410 0.223 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCOC[C@@H]3C)C2=O)n(C)n1 ZINC000194518277 416323713 /nfs/dbraw/zinc/32/37/13/416323713.db2.gz SGFCLMSUAUVUQZ-DRZSPHRISA-N 0 0 320.393 0.623 10 0 DCAERN Cc1ccc([C@@H](CNC(=O)[C@H]2COCCN2)N2CCOCC2)o1 ZINC000237881181 416328912 /nfs/dbraw/zinc/32/89/12/416328912.db2.gz GUNLVEHHVWLPGA-ZIAGYGMSSA-N 0 0 323.393 0.066 10 0 DCAERN CN1CCO[C@@H](CN[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000245444117 416331092 /nfs/dbraw/zinc/33/10/92/416331092.db2.gz JJHJSCCFIUUFTR-JSGCOSHPSA-N 0 0 310.419 0.825 10 0 DCAERN C[C@H]1CN(c2cc(=O)n3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246575750 416332013 /nfs/dbraw/zinc/33/20/13/416332013.db2.gz SWZOEQZSLQTJPK-UONOGXRCSA-N 0 0 314.389 0.851 10 0 DCAERN COCCn1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C)n1 ZINC000359922438 416365882 /nfs/dbraw/zinc/36/58/82/416365882.db2.gz SRASXOSGHXEWMV-UHFFFAOYSA-N 0 0 323.441 0.157 10 0 DCAERN COC(=O)c1nc(NCC2(S(C)(=O)=O)CC2)sc1C ZINC000360003770 416367856 /nfs/dbraw/zinc/36/78/56/416367856.db2.gz ASBARKVRCIOREN-UHFFFAOYSA-N 0 0 304.393 1.227 10 0 DCAERN COc1cc(CNC(=O)N2CC(=O)N(C)C2)cc(OC)c1OC ZINC000360843892 416414068 /nfs/dbraw/zinc/41/40/68/416414068.db2.gz APCVWDMTKGDPIY-UHFFFAOYSA-N 0 0 323.349 0.654 10 0 DCAERN COC(=O)C1(CS(=O)(=O)NCCc2cc(C)no2)CCC1 ZINC000360202093 416378970 /nfs/dbraw/zinc/37/89/70/416378970.db2.gz AGQZQVSMYYNVMA-UHFFFAOYSA-N 0 0 316.379 0.788 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000360205423 416379912 /nfs/dbraw/zinc/37/99/12/416379912.db2.gz AZJZBASVANWOEP-OCCSQVGLSA-N 0 0 317.455 0.811 10 0 DCAERN COc1ccc([C@@H](NC(=O)CN2CC(=O)N(C)C2)C2CC2)cc1 ZINC000360506237 416393941 /nfs/dbraw/zinc/39/39/41/416393941.db2.gz YMUMISDBEMSSGL-KRWDZBQOSA-N 0 0 317.389 0.994 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H](CO)C2CCOCC2)n1 ZINC000360562880 416396401 /nfs/dbraw/zinc/39/64/01/416396401.db2.gz AQRINDIODXCFRY-AWEZNQCLSA-N 0 0 323.393 0.719 10 0 DCAERN CC[C@@H](OC)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807568 416411704 /nfs/dbraw/zinc/41/17/04/416411704.db2.gz VTLGIMHXRZBCDN-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)(O)CC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360826261 416412812 /nfs/dbraw/zinc/41/28/12/416412812.db2.gz SWMHTXBDAPNBPI-NSHDSACASA-N 0 0 318.439 0.468 10 0 DCAERN Cc1ccc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458424811 416466425 /nfs/dbraw/zinc/46/64/25/416466425.db2.gz VRDSTNSLJCZSAL-CQSZACIVSA-N 0 0 303.366 0.489 10 0 DCAERN CC(C)(CNC(=O)NC[C@H](O)Cn1ccnn1)c1cccs1 ZINC000458435206 416468600 /nfs/dbraw/zinc/46/86/00/416468600.db2.gz XQWQBMAYSDDQHE-NSHDSACASA-N 0 0 323.422 0.978 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)Cc1cccs1 ZINC000458454105 416470206 /nfs/dbraw/zinc/47/02/06/416470206.db2.gz ZFRFPNOZVUFKJT-NEPJUHHUSA-N 0 0 323.422 0.879 10 0 DCAERN CCc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000583604615 416476742 /nfs/dbraw/zinc/47/67/42/416476742.db2.gz WICMHCLPXIZOGJ-MRXNPFEDSA-N 0 0 317.345 0.769 10 0 DCAERN Cn1cnnc1[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 ZINC000583622862 416479763 /nfs/dbraw/zinc/47/97/63/416479763.db2.gz IXHRDSGPAAPXJL-GHMZBOCLSA-N 0 0 311.411 0.794 10 0 DCAERN CC(=O)Nc1ccn([C@H]2CCN(c3ccnc(C(N)=O)c3)C2)n1 ZINC000583623200 416480336 /nfs/dbraw/zinc/48/03/36/416480336.db2.gz WZQQDLXFSFAPQS-LBPRGKRZSA-N 0 0 314.349 0.787 10 0 DCAERN CN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@H]1c1ncc[nH]1 ZINC000583623256 416480429 /nfs/dbraw/zinc/48/04/29/416480429.db2.gz XLGNSZVGMQMLAM-OLZOCXBDSA-N 0 0 307.398 0.977 10 0 DCAERN CS[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C(C)(C)C ZINC000458631776 416485605 /nfs/dbraw/zinc/48/56/05/416485605.db2.gz AYNFYXUYYJVPDT-WDEREUQCSA-N 0 0 315.443 0.716 10 0 DCAERN COC(=O)[C@@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000361087981 416420674 /nfs/dbraw/zinc/42/06/74/416420674.db2.gz WHPGBPZNSYULSD-RNCFNFMXSA-N 0 0 312.391 0.936 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000361099281 416420762 /nfs/dbraw/zinc/42/07/62/416420762.db2.gz ZNERMDLTWBULCC-AWEZNQCLSA-N 0 0 320.393 0.901 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000361204580 416425268 /nfs/dbraw/zinc/42/52/68/416425268.db2.gz GNZWSBQBDSEOQX-KWQFWETISA-N 0 0 309.288 0.316 10 0 DCAERN C[C@@H](C(=O)NCC[C@@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000361919700 416522066 /nfs/dbraw/zinc/52/20/66/416522066.db2.gz UCWRRSJTLJZURM-WDEREUQCSA-N 0 0 313.375 0.766 10 0 DCAERN CCN(CCCNC(=O)N1CCC12CCC2)S(C)(=O)=O ZINC000435610557 416525616 /nfs/dbraw/zinc/52/56/16/416525616.db2.gz KLAVQSPSRWYTJC-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459264209 416527256 /nfs/dbraw/zinc/52/72/56/416527256.db2.gz ZIMSIJXCIHTLSN-FIQHERPVSA-N 0 0 313.398 0.786 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000361944059 416528760 /nfs/dbraw/zinc/52/87/60/416528760.db2.gz GHEZWCSLSQCAQD-GHMZBOCLSA-N 0 0 324.381 0.090 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)C1=O ZINC000459371840 416536747 /nfs/dbraw/zinc/53/67/47/416536747.db2.gz ITEDHEJRKLAQAG-IVZWLZJFSA-N 0 0 323.315 0.704 10 0 DCAERN O=C(c1ccc(-n2ccnc2)nn1)N1CCSC[C@@H]1CCO ZINC000536647534 416547318 /nfs/dbraw/zinc/54/73/18/416547318.db2.gz SBRYRKYVDYBVEW-NSHDSACASA-N 0 0 319.390 0.602 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)NCc2ccn(C)n2)C1(C)C ZINC000436371672 416556020 /nfs/dbraw/zinc/55/60/20/416556020.db2.gz WSAFLENAAUCSPY-IUODEOHRSA-N 0 0 310.398 0.785 10 0 DCAERN COc1ccc2c(c1)OC[C@H]2CC(=O)N(C)Cc1nnnn1C ZINC000534800594 416508226 /nfs/dbraw/zinc/50/82/26/416508226.db2.gz QSLMCDGEXOBLQM-SNVBAGLBSA-N 0 0 317.349 0.743 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(=O)[nH]n2)cc1 ZINC000361848372 416508283 /nfs/dbraw/zinc/50/82/83/416508283.db2.gz AFDSMWLISWCAGH-UHFFFAOYSA-N 0 0 309.303 0.770 10 0 DCAERN CCNC(=O)CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435139957 416511192 /nfs/dbraw/zinc/51/11/92/416511192.db2.gz YNBGSYKXPPXQHK-UHFFFAOYSA-N 0 0 317.393 0.923 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCSC[C@H]2CCO)c1 ZINC000535078539 416517864 /nfs/dbraw/zinc/51/78/64/416517864.db2.gz VVOQLFIHEBZDAI-GFCCVEGCSA-N 0 0 310.375 0.808 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000535349763 416518286 /nfs/dbraw/zinc/51/82/86/416518286.db2.gz LTLPBHDWLQKNFQ-UHFFFAOYSA-N 0 0 321.377 0.567 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)n1 ZINC000364771188 416594832 /nfs/dbraw/zinc/59/48/32/416594832.db2.gz MWXQGFTXFGJZDI-RYUDHWBXSA-N 0 0 324.381 0.666 10 0 DCAERN CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000438709392 416602140 /nfs/dbraw/zinc/60/21/40/416602140.db2.gz AEMZGBPARYOOFC-LLVKDONJSA-N 0 0 323.397 0.999 10 0 DCAERN O=C(Nc1ccc2c(c1)OCO2)N1CCN2CCOC[C@H]2C1 ZINC000541719019 416609861 /nfs/dbraw/zinc/60/98/61/416609861.db2.gz VHOWMRIFNULDHW-GFCCVEGCSA-N 0 0 305.334 0.964 10 0 DCAERN CC(=O)N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1 ZINC000541835277 416612567 /nfs/dbraw/zinc/61/25/67/416612567.db2.gz AEBAXHNMOOIOEC-UHFFFAOYSA-N 0 0 305.382 0.736 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cncc(F)c2)[nH]n1 ZINC000440075442 416625409 /nfs/dbraw/zinc/62/54/09/416625409.db2.gz OXTPPNAYHNGCIB-QMMMGPOBSA-N 0 0 305.313 0.938 10 0 DCAERN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440133975 416626915 /nfs/dbraw/zinc/62/69/15/416626915.db2.gz NRLBHMHBZAFVEN-GHMZBOCLSA-N 0 0 307.398 1.524 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089633 416627244 /nfs/dbraw/zinc/62/72/44/416627244.db2.gz DQRPLVUNENKHRO-MZBZXASESA-N 0 0 302.352 0.992 10 0 DCAERN C[C@@H](CO)N(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000367241558 416644160 /nfs/dbraw/zinc/64/41/60/416644160.db2.gz YLFCQNVUDMETFP-JRPNMDOOSA-N 0 0 311.382 0.326 10 0 DCAERN CCOC(=O)c1sc(NC[C@@H](C)S(N)(=O)=O)nc1C ZINC000611466812 416664878 /nfs/dbraw/zinc/66/48/78/416664878.db2.gz QXAXFQNVMPWWMI-ZCFIWIBFSA-N 0 0 307.397 0.717 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CC(n3ccnn3)C2)n1 ZINC000368603081 416674270 /nfs/dbraw/zinc/67/42/70/416674270.db2.gz LPVZZQDJGCIFMS-UHFFFAOYSA-N 0 0 304.379 0.861 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000557610590 416742113 /nfs/dbraw/zinc/74/21/13/416742113.db2.gz RLVNCZRUIPJFEU-RBSFLKMASA-N 0 0 314.426 0.486 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CCC(=O)N(C)C2)no1 ZINC000442119024 416686761 /nfs/dbraw/zinc/68/67/61/416686761.db2.gz BPNLZKKBUAEMNL-VIFPVBQESA-N 0 0 309.370 0.787 10 0 DCAERN Cn1cc(OCC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cn1 ZINC000548884305 416693779 /nfs/dbraw/zinc/69/37/79/416693779.db2.gz SLFMZDFXGVOULY-SNVBAGLBSA-N 0 0 305.338 1.055 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC000557978680 416756183 /nfs/dbraw/zinc/75/61/83/416756183.db2.gz QFQZBPSDWDBNEN-CYBMUJFWSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@@H](NC(=O)COc1cnn(C)c1)C(=O)Nc1ccccc1 ZINC000558607443 416780703 /nfs/dbraw/zinc/78/07/03/416780703.db2.gz OQAYXTKAAHPAGH-LLVKDONJSA-N 0 0 302.334 0.942 10 0 DCAERN C[C@@]1(c2ccccc2)CN(C(=O)CN2CCOCC2=O)CCO1 ZINC000370033752 416871568 /nfs/dbraw/zinc/87/15/68/416871568.db2.gz SLPIYIYFUMLVHE-KRWDZBQOSA-N 0 0 318.373 0.619 10 0 DCAERN Cc1cc(C(=O)NCCn2cnnc2)nc(C(F)(F)F)n1 ZINC000615635038 416875984 /nfs/dbraw/zinc/87/59/84/416875984.db2.gz KAVSYRUNWHEEJI-UHFFFAOYSA-N 0 0 300.244 0.825 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@H](F)C[C@@H]3CO)cnc12 ZINC000444565158 416847349 /nfs/dbraw/zinc/84/73/49/416847349.db2.gz AXBXCGKLNNHCRR-GHMZBOCLSA-N 0 0 305.309 0.548 10 0 DCAERN c1cc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000373395061 416956455 /nfs/dbraw/zinc/95/64/55/416956455.db2.gz WPSLLSDFSQMAMC-CZUORRHYSA-N 0 0 320.393 1.063 10 0 DCAERN CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804201 416963179 /nfs/dbraw/zinc/96/31/79/416963179.db2.gz GZZKANDILGSBPV-BFHYXJOUSA-N 0 0 305.440 0.937 10 0 DCAERN CC[C@]1(C)NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445942247 416905316 /nfs/dbraw/zinc/90/53/16/416905316.db2.gz AWEABWKHXYXMDZ-ZDUSSCGKSA-N 0 0 311.363 0.820 10 0 DCAERN COCC(COC)S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000641537050 416908582 /nfs/dbraw/zinc/90/85/82/416908582.db2.gz SKSDKPVLSHZXPH-SDDRHHMPSA-N 0 0 307.412 0.070 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)s2)[C@@H](C)C1 ZINC000632107401 416909258 /nfs/dbraw/zinc/90/92/58/416909258.db2.gz WVPZMPPFOMGAFM-ZETCQYMHSA-N 0 0 305.381 0.090 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)o1 ZINC000446047363 416911188 /nfs/dbraw/zinc/91/11/88/416911188.db2.gz PQQOIIAMAPMHDZ-VIFPVBQESA-N 0 0 300.336 0.375 10 0 DCAERN CCc1ncnc(NC[C@@]2(N3CCOCC3)CCCOC2)c1F ZINC000371414474 416916214 /nfs/dbraw/zinc/91/62/14/416916214.db2.gz IEJSEVCKSMMRAI-INIZCTEOSA-N 0 0 324.400 1.471 10 0 DCAERN CNc1ncc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)s1 ZINC000371738027 416920425 /nfs/dbraw/zinc/92/04/25/416920425.db2.gz ZMJGQMPRYHPUQU-SNVBAGLBSA-N 0 0 320.349 1.469 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446531167 416932799 /nfs/dbraw/zinc/93/27/99/416932799.db2.gz KQMRNHGNPDYZHX-IMTBSYHQSA-N 0 0 307.276 0.587 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446531169 416933365 /nfs/dbraw/zinc/93/33/65/416933365.db2.gz KQMRNHGNPDYZHX-RCOVLWMOSA-N 0 0 307.276 0.587 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2ccncc21 ZINC000447127540 416965666 /nfs/dbraw/zinc/96/56/66/416965666.db2.gz IJQOCTDLCPHYGX-NXEZZACHSA-N 0 0 317.349 0.893 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@H]1CCCC12OCCO2 ZINC000376196823 417025844 /nfs/dbraw/zinc/02/58/44/417025844.db2.gz MSSPTGSLIFNVEX-QLFBSQMISA-N 0 0 324.421 0.851 10 0 DCAERN Cc1cc2c(N[C@H]3CCN(C4CCOCC4)C3=O)nccn2n1 ZINC000376322708 417026191 /nfs/dbraw/zinc/02/61/91/417026191.db2.gz RJYGAFAQRXTZDD-ZDUSSCGKSA-N 0 0 315.377 1.230 10 0 DCAERN COC[C@@H]1NC(=O)N([C@@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000521747263 417026979 /nfs/dbraw/zinc/02/69/79/417026979.db2.gz RWXWKICEIXLFBD-NWDGAFQWSA-N 0 0 303.318 0.359 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(OC)ccc1F ZINC000447150559 416966685 /nfs/dbraw/zinc/96/66/85/416966685.db2.gz KPUCFPWMUCERMZ-LBPRGKRZSA-N 0 0 323.324 0.510 10 0 DCAERN COCCO[C@H]1C[C@H](CO)CN(CC(=O)N(C)CC2CC2)C1 ZINC000447386194 416995717 /nfs/dbraw/zinc/99/57/17/416995717.db2.gz QEXLIGAOHQWWFT-GJZGRUSLSA-N 0 0 314.426 0.201 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616592823 417083829 /nfs/dbraw/zinc/08/38/29/417083829.db2.gz GPWVQEHONKUCSU-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN Nc1ncccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1 ZINC000616600685 417084151 /nfs/dbraw/zinc/08/41/51/417084151.db2.gz ANFZBJHNROJQSW-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Nc1ccn([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000616593988 417084628 /nfs/dbraw/zinc/08/46/28/417084628.db2.gz MFMOJJPPZKKDLN-GFCCVEGCSA-N 0 0 322.390 0.728 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cccc(CO)c1 ZINC000448543050 417085021 /nfs/dbraw/zinc/08/50/21/417085021.db2.gz PCXITFAMHXXGPA-MRXNPFEDSA-N 0 0 302.330 0.730 10 0 DCAERN Nc1ncccc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616603085 417085594 /nfs/dbraw/zinc/08/55/94/417085594.db2.gz DQTGAROXIJUIOG-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Nc1n[nH]cc1[C@@H]1COCCN1S(=O)(=O)c1ccccc1 ZINC000616642094 417086193 /nfs/dbraw/zinc/08/61/93/417086193.db2.gz DJNQBJMHJWPSEI-LBPRGKRZSA-N 0 0 308.363 0.754 10 0 DCAERN Nc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)n1 ZINC000616653084 417090642 /nfs/dbraw/zinc/09/06/42/417090642.db2.gz HEAHKKVWTBCQGH-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1cnnc2ccccc21 ZINC000616657341 417091338 /nfs/dbraw/zinc/09/13/38/417091338.db2.gz ARIIMEDSUYYHKI-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1ccccc1CCO ZINC000616660765 417091646 /nfs/dbraw/zinc/09/16/46/417091646.db2.gz OSVFAOABNSTAHZ-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CC(=O)N[C@@H]1CN(CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616681748 417092805 /nfs/dbraw/zinc/09/28/05/417092805.db2.gz VHOZMGXOGQKBAK-LBPRGKRZSA-N 0 0 301.387 0.696 10 0 DCAERN O=C(NC1COCCOC1)c1ccncc1Br ZINC000395882052 417106367 /nfs/dbraw/zinc/10/63/67/417106367.db2.gz BKHJLKNQGUSWJD-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN O=C(Cn1ncc2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616770630 417110497 /nfs/dbraw/zinc/11/04/97/417110497.db2.gz DBWXDASJGXSPMS-JGGQBBKZSA-N 0 0 311.345 0.724 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1nscc1Br ZINC000404767702 417120654 /nfs/dbraw/zinc/12/06/54/417120654.db2.gz NQSMTGWDVADDIO-UHFFFAOYSA-N 0 0 321.200 0.907 10 0 DCAERN CCSc1nnc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)s1 ZINC000407966956 417129757 /nfs/dbraw/zinc/12/97/57/417129757.db2.gz PKYMFJNJYMQSMA-ZETCQYMHSA-N 0 0 315.424 1.345 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000408007078 417132201 /nfs/dbraw/zinc/13/22/01/417132201.db2.gz FSUVYJNFFDNITE-VHSXEESVSA-N 0 0 308.425 0.654 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1 ZINC000624904584 417135069 /nfs/dbraw/zinc/13/50/69/417135069.db2.gz VMMDEVUJJVKNBG-ZDUSSCGKSA-N 0 0 318.439 0.826 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)o1 ZINC000431710753 417139314 /nfs/dbraw/zinc/13/93/14/417139314.db2.gz UPPTYXMSMXZFHF-NXEZZACHSA-N 0 0 313.335 0.776 10 0 DCAERN Cc1ccn2cc(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)nc2c1 ZINC000408197064 417146576 /nfs/dbraw/zinc/14/65/76/417146576.db2.gz FXTIGIYIKPIRRR-NSHDSACASA-N 0 0 307.375 0.902 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000408189377 417147483 /nfs/dbraw/zinc/14/74/83/417147483.db2.gz NLCXNJUXZQFQIS-LLVKDONJSA-N 0 0 321.303 1.564 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408364080 417155761 /nfs/dbraw/zinc/15/57/61/417155761.db2.gz GEFZEUNHKLYLQN-MFKMUULPSA-N 0 0 300.380 0.462 10 0 DCAERN Cn1c(NC[C@@H]2CCC(C)(C)O2)nc2c1c(=O)[nH]c(=O)n2C ZINC000408360972 417156258 /nfs/dbraw/zinc/15/62/58/417156258.db2.gz BBTLXMLWUHVYJV-QMMMGPOBSA-N 0 0 307.354 0.742 10 0 DCAERN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000408334525 417156705 /nfs/dbraw/zinc/15/67/05/417156705.db2.gz BFSBEZSMBCDYNX-RYUDHWBXSA-N 0 0 317.407 0.505 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408382761 417158263 /nfs/dbraw/zinc/15/82/63/417158263.db2.gz FCNIXWZNUJZUHP-VIFPVBQESA-N 0 0 321.786 0.442 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000408381195 417159150 /nfs/dbraw/zinc/15/91/50/417159150.db2.gz IAWMQOQZUNRDNZ-SKDRFNHKSA-N 0 0 323.315 0.704 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408399239 417159647 /nfs/dbraw/zinc/15/96/47/417159647.db2.gz FYXPWALJHVIESZ-TZMCWYRMSA-N 0 0 305.378 0.726 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)C1COC1 ZINC000617241063 417183837 /nfs/dbraw/zinc/18/38/37/417183837.db2.gz IUMQFCGRTOLTSF-VXGBXAGGSA-N 0 0 305.396 0.817 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)n2)O1 ZINC000450115989 417200844 /nfs/dbraw/zinc/20/08/44/417200844.db2.gz QRZKRBMCSVBRKL-IONNQARKSA-N 0 0 317.267 0.863 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000450419650 417223237 /nfs/dbraw/zinc/22/32/37/417223237.db2.gz OQAGMCBYRZLFNX-MRXNPFEDSA-N 0 0 305.378 0.248 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccnc(C(N)=O)c2)CC12COC2 ZINC000450572746 417238243 /nfs/dbraw/zinc/23/82/43/417238243.db2.gz VDDXFEUJYFXBHW-NSHDSACASA-N 0 0 305.334 0.196 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)CC)CC1 ZINC000451240233 417322395 /nfs/dbraw/zinc/32/23/95/417322395.db2.gz CQDGHGKSJBJXNW-ZJUUUORDSA-N 0 0 312.366 0.318 10 0 DCAERN CCOC(=O)[C@H](COC)N(C(=O)Cc1cn(C)nc1C)C1CC1 ZINC000451292201 417329609 /nfs/dbraw/zinc/32/96/09/417329609.db2.gz CLGKQTMOVPTQOG-AWEZNQCLSA-N 0 0 323.393 0.840 10 0 DCAERN COC[C@]1(C(N)=O)CCCN1Cc1cc2c(c(OC)c1)OCO2 ZINC000643763119 417340667 /nfs/dbraw/zinc/34/06/67/417340667.db2.gz SYGIDUNTVLTERL-INIZCTEOSA-N 0 0 322.361 0.890 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792908 417392680 /nfs/dbraw/zinc/39/26/80/417392680.db2.gz WDZBXDQVLXNBHO-BZPMIXESSA-N 0 0 320.393 0.955 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000633267529 417398871 /nfs/dbraw/zinc/39/88/71/417398871.db2.gz QFLHBWXPWPYKPU-GBJTYRQASA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000633360576 417416619 /nfs/dbraw/zinc/41/66/19/417416619.db2.gz UWCQMDUXFUOLFF-UPJWGTAASA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)c1ccc(NC(=O)CCN2C[C@H](O)C[C@H]2C(N)=O)cc1 ZINC000528637070 417371592 /nfs/dbraw/zinc/37/15/92/417371592.db2.gz TXZRSTGWIVKTSN-KGLIPLIRSA-N 0 0 319.361 0.138 10 0 DCAERN C[C@@H](OCc1ccncc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000633583965 417458299 /nfs/dbraw/zinc/45/82/99/417458299.db2.gz BPEMXOPDMNEYFA-MRVWCRGKSA-N 0 0 317.349 0.023 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CN2CCCCC2=O)CC12COC2 ZINC000452220146 417459843 /nfs/dbraw/zinc/45/98/43/417459843.db2.gz HGMHUCBNIPVXIS-LBPRGKRZSA-N 0 0 324.377 0.037 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)COc2cccnc2)CC12COC2 ZINC000452256867 417461803 /nfs/dbraw/zinc/46/18/03/417461803.db2.gz HQIMDZGLUPXBKY-ZDUSSCGKSA-N 0 0 320.345 0.499 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCOC3)CC12COC2 ZINC000452264971 417463108 /nfs/dbraw/zinc/46/31/08/417463108.db2.gz PIVQYQWFGHBFQB-TYNCELHUSA-N 0 0 309.362 0.451 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)[C@H]1CCCO1 ZINC000573362939 417470561 /nfs/dbraw/zinc/47/05/61/417470561.db2.gz BZVGJGAWGAEVMF-QWHCGFSZSA-N 0 0 310.394 0.699 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCC(C)(C)[C@@]1(O)CCOC1)C(C)C ZINC000627922813 417531918 /nfs/dbraw/zinc/53/19/18/417531918.db2.gz KYRLKXWKJRXWDE-IUODEOHRSA-N 0 0 300.399 0.441 10 0 DCAERN CN(C(=O)CN1CCCC[C@@H](O)C1=O)C1Cc2ccccc2C1 ZINC000644324965 417537729 /nfs/dbraw/zinc/53/77/29/417537729.db2.gz TWWOFURVADKRGW-MRXNPFEDSA-N 0 0 316.401 0.986 10 0 DCAERN O=C(CNCC(F)(F)F)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530076155 417537850 /nfs/dbraw/zinc/53/78/50/417537850.db2.gz NPVREFRJDSRXPD-VIFPVBQESA-N 0 0 304.272 0.998 10 0 DCAERN Brc1nc(Br)n(Cc2nnc[nH]2)n1 ZINC000575533487 417539276 /nfs/dbraw/zinc/53/92/76/417539276.db2.gz MWCAKLYTNKAOSZ-UHFFFAOYSA-N 0 0 307.937 0.970 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(N(C)C)c2C)C[C@H]1O ZINC000453956527 417539994 /nfs/dbraw/zinc/53/99/94/417539994.db2.gz ALEDSPZYQVGNCE-ZIAGYGMSSA-N 0 0 321.377 0.218 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Nc2nccn(C)c2=O)no1 ZINC000575741808 417542518 /nfs/dbraw/zinc/54/25/18/417542518.db2.gz AZNOMUWOMXPOGR-UHFFFAOYSA-N 0 0 306.326 0.783 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCC(C)(C)C(C)(C)O)cn1 ZINC000454010763 417543952 /nfs/dbraw/zinc/54/39/52/417543952.db2.gz AHGCZCZTUQKBQN-UHFFFAOYSA-N 0 0 322.409 0.999 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)N1CCCCC1=O ZINC000530294422 417562644 /nfs/dbraw/zinc/56/26/44/417562644.db2.gz ONTGLGIBJWNHPO-MNOVXSKESA-N 0 0 309.366 0.041 10 0 DCAERN CC[C@@](C)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)OC ZINC000452743529 417498730 /nfs/dbraw/zinc/49/87/30/417498730.db2.gz USWRDWJEVXRSKY-INIZCTEOSA-N 0 0 320.393 0.563 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](O)C[C@H]2C)c1 ZINC000633866938 417501936 /nfs/dbraw/zinc/50/19/36/417501936.db2.gz GKBUOWFRQWABHK-ZYHUDNBSSA-N 0 0 312.391 0.580 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1c1cn[nH]n1 ZINC000623031687 417528994 /nfs/dbraw/zinc/52/89/94/417528994.db2.gz QSHMMIXHWYWTKV-TVQRCGJNSA-N 0 0 303.322 0.925 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000530521355 417582994 /nfs/dbraw/zinc/58/29/94/417582994.db2.gz QKEOKYARCDUNPM-ZJUUUORDSA-N 0 0 315.395 0.562 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccnc(C)n2)CC12COC2 ZINC000455155357 417593985 /nfs/dbraw/zinc/59/39/85/417593985.db2.gz ZYPRRVLFHDWFEQ-LLVKDONJSA-N 0 0 320.349 0.828 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCN(c2nccnn2)CC1 ZINC000628380620 417613566 /nfs/dbraw/zinc/61/35/66/417613566.db2.gz YYOTWGOUNSZRIZ-UHFFFAOYSA-N 0 0 305.382 0.916 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000628064625 417566266 /nfs/dbraw/zinc/56/62/66/417566266.db2.gz IJZPYOQEHZRZRM-GARJFASQSA-N 0 0 319.423 0.508 10 0 DCAERN O=C(NCCCC1CC1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000530333005 417569257 /nfs/dbraw/zinc/56/92/57/417569257.db2.gz TWXVDJKJWUYPSI-UHFFFAOYSA-N 0 0 302.378 0.938 10 0 DCAERN O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)C1COC1 ZINC000530359416 417571548 /nfs/dbraw/zinc/57/15/48/417571548.db2.gz OZBRNSCEPXDOEE-UHFFFAOYSA-N 0 0 307.375 0.750 10 0 DCAERN COCn1nccc1S(=O)(=O)NCc1nnc2ccccn21 ZINC000530372910 417571837 /nfs/dbraw/zinc/57/18/37/417571837.db2.gz NHRWBPYZOJTJFY-UHFFFAOYSA-N 0 0 322.350 0.008 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCN(C)C[C@H]2C)c1 ZINC000440288412 287397429 /nfs/dbraw/zinc/39/74/29/287397429.db2.gz YDSNTPZREWNVKE-SNVBAGLBSA-N 0 0 309.341 0.935 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)s1 ZINC000440304781 287397812 /nfs/dbraw/zinc/39/78/12/287397812.db2.gz QAJZSJZLURYNSO-VIFPVBQESA-N 0 0 324.406 0.642 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCCC[C@H]2CS(C)(=O)=O)n1 ZINC000456180152 417630973 /nfs/dbraw/zinc/63/09/73/417630973.db2.gz ALHMEXGBGVPREA-ZDUSSCGKSA-N 0 0 313.423 0.926 10 0 DCAERN COC(=O)CCC(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456232508 417636227 /nfs/dbraw/zinc/63/62/27/417636227.db2.gz CGZOLFCCBFFUGO-UHFFFAOYSA-N 0 0 320.345 0.783 10 0 DCAERN CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628728507 417683154 /nfs/dbraw/zinc/68/31/54/417683154.db2.gz PZIMXPVWBDLEFU-LBPRGKRZSA-N 0 0 316.365 0.579 10 0 DCAERN CC(C)(C)n1ncc2c1nc(NC[C@H](O)C(F)F)[nH]c2=O ZINC000579189767 417690192 /nfs/dbraw/zinc/69/01/92/417690192.db2.gz SZDIRCBAYIHVPF-ZETCQYMHSA-N 0 0 301.297 1.325 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NCCC2(O)CCOCC2)n1 ZINC000579389684 417691714 /nfs/dbraw/zinc/69/17/14/417691714.db2.gz GGCVTPJZNVDMNO-UHFFFAOYSA-N 0 0 311.386 1.086 10 0 DCAERN COC(=O)CN(C[C@@H](O)COC[C@H]1CCCO1)C1CCCC1 ZINC000531888874 417648577 /nfs/dbraw/zinc/64/85/77/417648577.db2.gz CXMHWYQJDHJAAO-HUUCEWRRSA-N 0 0 315.410 0.961 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000532063760 417655511 /nfs/dbraw/zinc/65/55/11/417655511.db2.gz LRHZTVJULRTYSI-LLVKDONJSA-N 0 0 316.365 0.918 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000532127593 417662059 /nfs/dbraw/zinc/66/20/59/417662059.db2.gz RGXSKJKSZZFOTL-CYBMUJFWSA-N 0 0 315.377 0.956 10 0 DCAERN COC(=O)Cc1ccc(NC(=O)NCCc2ncn(C)n2)cc1 ZINC000532285959 417668790 /nfs/dbraw/zinc/66/87/90/417668790.db2.gz FRHVRINXCHDWMV-UHFFFAOYSA-N 0 0 317.349 0.895 10 0 DCAERN COc1cc(F)cc(C[C@H](C)NC(=O)CN2CCOCC2=O)c1 ZINC000457065351 417681005 /nfs/dbraw/zinc/68/10/05/417681005.db2.gz GQWPXAWVVMBPBK-NSHDSACASA-N 0 0 324.352 0.740 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cncc(Br)c1 ZINC000629218972 417760088 /nfs/dbraw/zinc/76/00/88/417760088.db2.gz YCGKPIWZLPOCDA-UWVGGRQHSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(NCc1ccc(Cl)cc1)NC[C@H](O)Cn1ccnn1 ZINC000457379503 417707320 /nfs/dbraw/zinc/70/73/20/417707320.db2.gz DUUFOYYAJGDJMX-LBPRGKRZSA-N 0 0 309.757 0.792 10 0 DCAERN C[C@@H](CCCc1cccnc1)NC(=O)CN1CCOCC1=O ZINC000457922437 417709295 /nfs/dbraw/zinc/70/92/95/417709295.db2.gz HBKIDPAADPSXHE-ZDUSSCGKSA-N 0 0 305.378 0.768 10 0 DCAERN O=C(CCSc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000458118429 417721110 /nfs/dbraw/zinc/72/11/10/417721110.db2.gz BEKLLTGDFFCRSF-GFCCVEGCSA-N 0 0 306.391 0.938 10 0 DCAERN O=C(COc1cccc(Cl)c1)NC[C@@H](O)Cn1ccnn1 ZINC000458126161 417722773 /nfs/dbraw/zinc/72/27/73/417722773.db2.gz LGMWRNXLJJZTCV-LLVKDONJSA-N 0 0 310.741 0.488 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458121554 417723589 /nfs/dbraw/zinc/72/35/89/417723589.db2.gz FZWMPXUGPQNMBB-OLZOCXBDSA-N 0 0 304.350 0.531 10 0 DCAERN CC[N@H+](C)[C@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458151205 417725452 /nfs/dbraw/zinc/72/54/52/417725452.db2.gz WDFCJKMHNHUCCK-GJZGRUSLSA-N 0 0 317.393 0.448 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)[C@H]1COc2ccc(Cl)cc21 ZINC000458150002 417726055 /nfs/dbraw/zinc/72/60/55/417726055.db2.gz VMTMEGZLGXCMKV-JQWIXIFHSA-N 0 0 322.752 0.585 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631680860 417918345 /nfs/dbraw/zinc/91/83/45/417918345.db2.gz UVHFNHOSNIKJHH-UHFFFAOYSA-N 0 0 306.428 0.732 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc(OC(C)C)ncn1 ZINC000664273501 418108862 /nfs/dbraw/zinc/10/88/62/418108862.db2.gz SPBFSEIZYGNOPS-UWVGGRQHSA-N 0 0 301.368 0.488 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc(OC(C)C)ncn1 ZINC000664273500 418109336 /nfs/dbraw/zinc/10/93/36/418109336.db2.gz SPBFSEIZYGNOPS-NXEZZACHSA-N 0 0 301.368 0.488 10 0 DCAERN Cn1c(CNC(=O)CN2CCCCC2=O)nnc1C1CCC1 ZINC000184032177 545909850 /nfs/dbraw/zinc/90/98/50/545909850.db2.gz IKHWSPDYSIUIHX-UHFFFAOYSA-N 0 0 305.382 0.711 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@H]1C ZINC000187730836 545915345 /nfs/dbraw/zinc/91/53/45/545915345.db2.gz LWOQIPPRTDROJO-GRYCIOLGSA-N 0 0 304.412 0.294 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000461283954 287513746 /nfs/dbraw/zinc/51/37/46/287513746.db2.gz NRZNNGSSUXZEGM-WOPDTQHZSA-N 0 0 314.407 0.893 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C)cn1 ZINC000488573379 287553953 /nfs/dbraw/zinc/55/39/53/287553953.db2.gz NWAGEDNDVIXTAI-WDEREUQCSA-N 0 0 322.365 0.968 10 0 DCAERN CCn1cc([C@@H]2CN(c3cncc(OCCO)n3)CCO2)cn1 ZINC000302661611 230337093 /nfs/dbraw/zinc/33/70/93/230337093.db2.gz FDTCXLMJHHZJQB-ZDUSSCGKSA-N 0 0 319.365 0.642 10 0 DCAERN CN(C[C@@H]1CCCOC1)C(=O)CCn1nc2ccccn2c1=O ZINC000111617105 261108698 /nfs/dbraw/zinc/10/86/98/261108698.db2.gz XPCRCAOTKHMEKR-ZDUSSCGKSA-N 0 0 318.377 0.771 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)ccc1C ZINC000180584025 261113673 /nfs/dbraw/zinc/11/36/73/261113673.db2.gz FDFGYMUQTRHUBC-GFCCVEGCSA-N 0 0 303.362 0.830 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(-n3ccnn3)cc2)c1 ZINC000186674303 261121213 /nfs/dbraw/zinc/12/12/13/261121213.db2.gz RPXRCNDVGHQOBW-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)NCCC2=CCCC2)C1 ZINC000187268188 261122770 /nfs/dbraw/zinc/12/27/70/261122770.db2.gz OPZOQLQRXUTMSK-UHFFFAOYSA-N 0 0 301.412 0.677 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cn3ccnc3s2)C1 ZINC000188665410 261129792 /nfs/dbraw/zinc/12/97/92/261129792.db2.gz OLKTZTQNUCSJDW-SECBINFHSA-N 0 0 307.379 0.929 10 0 DCAERN CC(=O)NC1CN(C(=O)C[C@H](C)NC(=O)C2CCCCC2)C1 ZINC000190473365 261134314 /nfs/dbraw/zinc/13/43/14/261134314.db2.gz ZPQBVAMLXODAOB-NSHDSACASA-N 0 0 309.410 0.808 10 0 DCAERN CCN1CN(C(=O)Nc2ccnn2Cc2ccccn2)CC1=O ZINC000192377319 261137928 /nfs/dbraw/zinc/13/79/28/261137928.db2.gz CUHCGPYAIZPASY-UHFFFAOYSA-N 0 0 314.349 0.980 10 0 DCAERN Cc1cc(COCC(=O)N2CCN(CC(C)C)C(=O)C2)on1 ZINC000193903629 261144166 /nfs/dbraw/zinc/14/41/66/261144166.db2.gz LJCBNUIPCWOFPM-UHFFFAOYSA-N 0 0 309.366 0.826 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000194609872 261146977 /nfs/dbraw/zinc/14/69/77/261146977.db2.gz XVDOUBGZKFNICE-DGCLKSJQSA-N 0 0 306.366 0.268 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)CCc1ccccc1O ZINC000195221501 261150487 /nfs/dbraw/zinc/15/04/87/261150487.db2.gz MHLGYMQYKNNPRL-UHFFFAOYSA-N 0 0 314.407 0.769 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3sccc3c2=O)C[C@H]1O ZINC000221886007 261151830 /nfs/dbraw/zinc/15/18/30/261151830.db2.gz WQZZLTALJGGPPQ-GXSJLCMTSA-N 0 0 307.375 0.687 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1O ZINC000221817765 261152122 /nfs/dbraw/zinc/15/21/22/261152122.db2.gz LCDQTZIXDUIPEQ-UWVGGRQHSA-N 0 0 316.379 0.373 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@@H](C)O1 ZINC000228267644 261153833 /nfs/dbraw/zinc/15/38/33/261153833.db2.gz GJFXZWQEEKGANL-MGPQQGTHSA-N 0 0 324.421 0.776 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CC(C)(C)C)C[C@H](C)O1 ZINC000228580043 261153884 /nfs/dbraw/zinc/15/38/84/261153884.db2.gz IFLNSVNTEKYVKY-TUAOUCFPSA-N 0 0 308.444 0.727 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)n1 ZINC000317010259 261176250 /nfs/dbraw/zinc/17/62/50/261176250.db2.gz PWKGXDLEISXRMK-HNNXBMFYSA-N 0 0 302.334 0.513 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCC(OCC(C)C)CC1 ZINC000354831593 261276413 /nfs/dbraw/zinc/27/64/13/261276413.db2.gz HADYGSCFHVXRPG-ZFWWWQNUSA-N 0 0 312.410 0.632 10 0 DCAERN C[C@](O)(CO)CNC(=O)Cc1ccccc1Br ZINC000355276233 261324982 /nfs/dbraw/zinc/32/49/82/261324982.db2.gz HDYVSWQFYMLKIR-GFCCVEGCSA-N 0 0 302.168 0.851 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357921935 261601583 /nfs/dbraw/zinc/60/15/83/261601583.db2.gz WRSUXWXFPDVGLU-GFCCVEGCSA-N 0 0 318.439 0.671 10 0 DCAERN CN(CCCNC(=O)C1CCC1)C(=O)NCCc1cn[nH]c1 ZINC000358183449 261644438 /nfs/dbraw/zinc/64/44/38/261644438.db2.gz FAHFVADYSAVIBT-UHFFFAOYSA-N 0 0 307.398 0.900 10 0 DCAERN C[C@@]1(C2CCN(C(=O)c3cccc(O)c3)CC2)NC(=O)NC1=O ZINC000360466581 261835280 /nfs/dbraw/zinc/83/52/80/261835280.db2.gz MTCLVTHHVYMFPC-INIZCTEOSA-N 0 0 317.345 0.843 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360715959 261866061 /nfs/dbraw/zinc/86/60/61/261866061.db2.gz UVBPIVQYHBFTEP-LBPRGKRZSA-N 0 0 301.350 0.983 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C)C1CCOCC1 ZINC000361102186 261896927 /nfs/dbraw/zinc/89/69/27/261896927.db2.gz NNEPEKIPCUIFOH-UBHSHLNASA-N 0 0 312.410 0.537 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC000361394140 261920575 /nfs/dbraw/zinc/92/05/75/261920575.db2.gz XCONABIVVCHUEN-GOOCMWNKSA-N 0 0 322.405 0.603 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361531722 261936000 /nfs/dbraw/zinc/93/60/00/261936000.db2.gz BIXUQHVRWMVDHS-YYMQPOIQSA-N 0 0 303.380 0.435 10 0 DCAERN COC(=O)CNC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361989166 261987314 /nfs/dbraw/zinc/98/73/14/261987314.db2.gz XBYAPSUCHDVSGX-AWEZNQCLSA-N 0 0 322.361 0.055 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)Cc1cccc(O)c1 ZINC000362475939 262039268 /nfs/dbraw/zinc/03/92/68/262039268.db2.gz DDLGMZAREFILCI-CABCVRRESA-N 0 0 309.362 0.871 10 0 DCAERN COC[C@@](C)(NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)OC ZINC000362615253 262052704 /nfs/dbraw/zinc/05/27/04/262052704.db2.gz SBGSKUBWMKGWSU-BDJLRTHQSA-N 0 0 322.361 0.499 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncncc1Cl ZINC000362667149 262058226 /nfs/dbraw/zinc/05/82/26/262058226.db2.gz REXFHXXKXNOSNW-JGVFFNPUSA-N 0 0 300.746 0.998 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1ccn2ccnc2c1 ZINC000362709013 262064181 /nfs/dbraw/zinc/06/41/81/262064181.db2.gz YDTUTDXKUPYWGJ-CYBMUJFWSA-N 0 0 302.334 0.198 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)NCc1ccn(C)n1 ZINC000362778346 262072255 /nfs/dbraw/zinc/07/22/55/262072255.db2.gz AKCUXSHAFOVDEM-OLZOCXBDSA-N 0 0 312.370 0.040 10 0 DCAERN COc1cccc(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)c1 ZINC000363102786 262099475 /nfs/dbraw/zinc/09/94/75/262099475.db2.gz VKQGGXOVMPMKKP-LLVKDONJSA-N 0 0 314.345 0.964 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000363739522 262129636 /nfs/dbraw/zinc/12/96/36/262129636.db2.gz KZPNCIBOZPRQJM-MELADBBJSA-N 0 0 314.451 0.610 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000363796596 262131456 /nfs/dbraw/zinc/13/14/56/262131456.db2.gz RVAAUBWULNPEFK-HNNXBMFYSA-N 0 0 319.405 0.328 10 0 DCAERN O=C(C[C@@H]1CSCCS1)N1CCN2CCOC[C@H]2C1 ZINC000363818529 262132546 /nfs/dbraw/zinc/13/25/46/262132546.db2.gz LEQOJOLDUZFIQA-VXGBXAGGSA-N 0 0 302.465 0.768 10 0 DCAERN COC(=O)c1cccc(CC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363837168 262134137 /nfs/dbraw/zinc/13/41/37/262134137.db2.gz VXKWQJIMFAXYSF-OAHLLOKOSA-N 0 0 318.373 0.559 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000363976851 262137558 /nfs/dbraw/zinc/13/75/58/262137558.db2.gz SOXMZBQNVHMIJB-CYBMUJFWSA-N 0 0 314.382 0.839 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)Nc1nc(C)cs1 ZINC000370410592 262146493 /nfs/dbraw/zinc/14/64/93/262146493.db2.gz PWKUABLSAGSHPD-ONGXEEELSA-N 0 0 313.379 0.388 10 0 DCAERN C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000394200415 262161797 /nfs/dbraw/zinc/16/17/97/262161797.db2.gz SSBOWBUUKBOKDO-DTWKUNHWSA-N 0 0 307.803 0.998 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397699271 262163952 /nfs/dbraw/zinc/16/39/52/262163952.db2.gz HPYBFTYSSYNUTE-ILWJIGKKSA-N 0 0 316.404 0.411 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCOC1 ZINC000514899320 287646830 /nfs/dbraw/zinc/64/68/30/287646830.db2.gz URFKCXGOCMBULX-HNNXBMFYSA-N 0 0 318.333 0.195 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1csc(Br)c1 ZINC000037846212 270933348 /nfs/dbraw/zinc/93/33/48/270933348.db2.gz IBLANWPVTLRGAG-RQJHMYQMSA-N 0 0 319.180 0.571 10 0 DCAERN CN(C)C(=O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000358770976 271069753 /nfs/dbraw/zinc/06/97/53/271069753.db2.gz WFCIRAXUAJJBSG-UHFFFAOYSA-N 0 0 304.354 0.049 10 0 DCAERN O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@H](CO)C1CC1 ZINC000359146242 271098516 /nfs/dbraw/zinc/09/85/16/271098516.db2.gz QYVBOHKFXZUSHZ-SSDOTTSWSA-N 0 0 307.276 0.641 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000359393897 271114202 /nfs/dbraw/zinc/11/42/02/271114202.db2.gz XIOSGZORRBXXPW-HZMBPMFUSA-N 0 0 319.361 0.447 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)[C@@H](C)N2CCOCC2)no1 ZINC000359490455 271122107 /nfs/dbraw/zinc/12/21/07/271122107.db2.gz AZXRLPGIVNSGIB-GHMZBOCLSA-N 0 0 312.370 0.504 10 0 DCAERN COC(=O)c1ccccc1OCCN(C)Cc1nnnn1C ZINC000360029004 271160719 /nfs/dbraw/zinc/16/07/19/271160719.db2.gz ZBJCKLYVJGBZQJ-UHFFFAOYSA-N 0 0 305.338 0.508 10 0 DCAERN C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2CC2)CCCO1 ZINC000360919040 271164443 /nfs/dbraw/zinc/16/44/43/271164443.db2.gz OOAPCPFBAZXZED-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@H](CO)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361272088 271176264 /nfs/dbraw/zinc/17/62/64/271176264.db2.gz MTWCEHWNJPRJJK-MRVPVSSYSA-N 0 0 301.320 0.149 10 0 DCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cnnn1C ZINC000361275625 271176631 /nfs/dbraw/zinc/17/66/31/271176631.db2.gz PAUBOJLAGADTCF-SNVBAGLBSA-N 0 0 312.370 0.682 10 0 DCAERN O=C1[C@@H](N2C(=O)[C@@H]3CCCCN3C2=O)CCN1C1CCOCC1 ZINC000363472789 271193475 /nfs/dbraw/zinc/19/34/75/271193475.db2.gz UOCZIFLAWWAUGV-STQMWFEESA-N 0 0 321.377 0.583 10 0 DCAERN COc1ccc(CC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)nc1 ZINC000363750059 271202147 /nfs/dbraw/zinc/20/21/47/271202147.db2.gz JHSFTSHDMHVSLW-CQSZACIVSA-N 0 0 315.377 0.871 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000447965207 271810880 /nfs/dbraw/zinc/81/08/80/271810880.db2.gz OOYQEPIUWWICPW-MRXNPFEDSA-N 0 0 315.329 0.337 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2nccn(CC)c2=O)CC12COC2 ZINC000450557054 271875544 /nfs/dbraw/zinc/87/55/44/271875544.db2.gz BJDJKWBEHLGJSM-NSHDSACASA-N 0 0 307.350 0.279 10 0 DCAERN CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)CC1=O ZINC000452963383 271924612 /nfs/dbraw/zinc/92/46/12/271924612.db2.gz WYNCZQHWNNEOAX-YPMHNXCESA-N 0 0 303.362 0.542 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)nc2ccccc12 ZINC000458152324 271944245 /nfs/dbraw/zinc/94/42/45/271944245.db2.gz XHXRFIZLQWFRGW-GFCCVEGCSA-N 0 0 311.345 0.926 10 0 DCAERN C[C@@H]1C[C@@H](O)CN(C(=O)NCc2ccccc2OCCO)C1 ZINC000458428153 271957058 /nfs/dbraw/zinc/95/70/58/271957058.db2.gz NNKZOQLCTMLNPJ-TZMCWYRMSA-N 0 0 308.378 0.970 10 0 DCAERN CCn1nncc1CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000459343419 271992621 /nfs/dbraw/zinc/99/26/21/271992621.db2.gz FWZDKMFNFWOPKE-UHFFFAOYSA-N 0 0 315.377 0.962 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCO1 ZINC000459890927 272016884 /nfs/dbraw/zinc/01/68/84/272016884.db2.gz GQHRPQRGCPHDSS-CABZTGNLSA-N 0 0 324.299 0.150 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)OC ZINC000466489597 272026848 /nfs/dbraw/zinc/02/68/48/272026848.db2.gz DSBFLUDYTLOIHP-HBNTYKKESA-N 0 0 307.416 0.133 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000471666504 272028505 /nfs/dbraw/zinc/02/85/05/272028505.db2.gz BHRWCSWOYUILBM-UWVGGRQHSA-N 0 0 316.379 0.827 10 0 DCAERN COc1ncc(NS(=O)(=O)N2CCC[C@H]2C)cc1C(N)=O ZINC000471963633 272034037 /nfs/dbraw/zinc/03/40/37/272034037.db2.gz FPIFFFFPHQJFDB-MRVPVSSYSA-N 0 0 314.367 0.330 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCS1 ZINC000487119404 272037981 /nfs/dbraw/zinc/03/79/81/272037981.db2.gz NCLAJCPIFYITKL-UTLUCORTSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CC(C)(C)OC ZINC000487118975 272038183 /nfs/dbraw/zinc/03/81/83/272038183.db2.gz BLUCAUHWOFLDJR-VHSXEESVSA-N 0 0 302.371 0.374 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCC(CC(N)=O)CC2)[nH]n1 ZINC000487556526 272041339 /nfs/dbraw/zinc/04/13/39/272041339.db2.gz VMSQYTSKZQZFGL-JTQLQIEISA-N 0 0 307.398 0.946 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212452 272058971 /nfs/dbraw/zinc/05/89/71/272058971.db2.gz YYKZYBBGQJDRBF-ZBFHGGJFSA-N 0 0 321.421 0.782 10 0 DCAERN Cn1nccc1CNC(=O)NCCCc1nnc2ccccn21 ZINC000489297782 272059600 /nfs/dbraw/zinc/05/96/00/272059600.db2.gz LGOLNJZZOMGLRC-UHFFFAOYSA-N 0 0 313.365 0.895 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)C(F)F)CC2 ZINC000489549445 272064026 /nfs/dbraw/zinc/06/40/26/272064026.db2.gz LLJSOROKSVWCEL-YUMQZZPRSA-N 0 0 303.313 0.081 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](O)C1CC1 ZINC000490645960 272078861 /nfs/dbraw/zinc/07/88/61/272078861.db2.gz QQVLRMUXISKLAZ-AWEZNQCLSA-N 0 0 319.361 0.495 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)NC2CCCC2)CC1 ZINC000494408744 272221663 /nfs/dbraw/zinc/22/16/63/272221663.db2.gz AMXITXCMHUNSEL-UHFFFAOYSA-N 0 0 311.426 0.614 10 0 DCAERN COc1cccc(CO[C@@H](C)C(=O)N2CC3(C2)CNC(=O)O3)c1 ZINC000496159693 272297275 /nfs/dbraw/zinc/29/72/75/272297275.db2.gz JHHAPPSSGDGYEO-NSHDSACASA-N 0 0 320.345 0.921 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000521870479 272540154 /nfs/dbraw/zinc/54/01/54/272540154.db2.gz AHWVDPGKYKBNSV-UHFFFAOYSA-N 0 0 302.338 0.217 10 0 DCAERN COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000523119741 272556040 /nfs/dbraw/zinc/55/60/40/272556040.db2.gz MPIOSLLMPCWMMQ-INIZCTEOSA-N 0 0 322.361 0.464 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000532063761 272777355 /nfs/dbraw/zinc/77/73/55/272777355.db2.gz LRHZTVJULRTYSI-NSHDSACASA-N 0 0 316.365 0.918 10 0 DCAERN CC(=O)Nc1cc(C(=O)N(C)Cc2nnnn2C)ccc1C ZINC000532077980 272777786 /nfs/dbraw/zinc/77/77/86/272777786.db2.gz QGBXHXKZYSOOQG-UHFFFAOYSA-N 0 0 302.338 0.749 10 0 DCAERN CC1(C)CN(C(=O)NCCn2cccn2)C[C@]2(CCOC2)O1 ZINC000527515209 287695668 /nfs/dbraw/zinc/69/56/68/287695668.db2.gz XOEHIYQKGZPKPS-HNNXBMFYSA-N 0 0 308.382 0.863 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000531010545 287763825 /nfs/dbraw/zinc/76/38/25/287763825.db2.gz GSHYKPNCIPTTEC-UONOGXRCSA-N 0 0 314.451 0.896 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc3c2OCO3)C1 ZINC000534250286 287806734 /nfs/dbraw/zinc/80/67/34/287806734.db2.gz KDNZXLVUHMBTQN-SNVBAGLBSA-N 0 0 306.322 0.368 10 0 DCAERN Cn1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000535034777 287825700 /nfs/dbraw/zinc/82/57/00/287825700.db2.gz PXAQAMFSIOLKIJ-UHFFFAOYSA-N 0 0 316.317 0.195 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000104766556 275988398 /nfs/dbraw/zinc/98/83/98/275988398.db2.gz HHLJBSIAHHEECV-GFCCVEGCSA-N 0 0 314.345 0.520 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)c2cncc(C(=O)OC)c2)C1 ZINC000536963993 287862614 /nfs/dbraw/zinc/86/26/14/287862614.db2.gz YUBRXVRBTLFPII-CYBMUJFWSA-N 0 0 319.361 0.999 10 0 DCAERN Cc1cc(C(=O)N(C)Cc2nnnn2C)nn1[C@@H](C)C1CC1 ZINC000540758931 287905492 /nfs/dbraw/zinc/90/54/92/287905492.db2.gz PWSWDKBPRKBZEG-JTQLQIEISA-N 0 0 303.370 0.958 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCc1nnc2n1CCCC2)C(C)C ZINC000541581064 287922081 /nfs/dbraw/zinc/92/20/81/287922081.db2.gz IHFBVEFLUMVFMB-AWEZNQCLSA-N 0 0 307.398 0.434 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000372536241 276982627 /nfs/dbraw/zinc/98/26/27/276982627.db2.gz CDXSQKQMJHBCOO-GJZGRUSLSA-N 0 0 315.373 0.436 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1O ZINC000408211116 277233250 /nfs/dbraw/zinc/23/32/50/277233250.db2.gz MSUCUDSMUDJJQI-GHMZBOCLSA-N 0 0 311.382 0.184 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408257530 277238482 /nfs/dbraw/zinc/23/84/82/277238482.db2.gz QLSKRAKXEJPRSB-XJFOESAGSA-N 0 0 310.442 0.883 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)CC(C)(C)O1 ZINC000408027390 277254476 /nfs/dbraw/zinc/25/44/76/277254476.db2.gz NIAXGUFQNHHBLE-NSHDSACASA-N 0 0 317.411 0.543 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000374315276 277817064 /nfs/dbraw/zinc/81/70/64/277817064.db2.gz YFDQFBVTWHRYJL-LBPRGKRZSA-N 0 0 306.366 0.619 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@]23CCOC3)c1 ZINC000545888077 288004382 /nfs/dbraw/zinc/00/43/82/288004382.db2.gz ZFVVUZFUSNNBOF-TZMCWYRMSA-N 0 0 310.375 0.960 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCS[C@@H](C)CC2)C1 ZINC000408056844 278031570 /nfs/dbraw/zinc/03/15/70/278031570.db2.gz MEWNGRJKAQAGBM-SMDDNHRTSA-N 0 0 300.424 0.714 10 0 DCAERN COc1ccnc(N2CCN(C(=O)Nc3ccn(C)n3)CC2)n1 ZINC000107057199 278065775 /nfs/dbraw/zinc/06/57/75/278065775.db2.gz UEGPYQNWLBABRR-UHFFFAOYSA-N 0 0 317.353 0.573 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000171086610 278144087 /nfs/dbraw/zinc/14/40/87/278144087.db2.gz UABLKBHGEPTSIF-OLZOCXBDSA-N 0 0 320.397 0.211 10 0 DCAERN CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(CC(=O)N2CCC2)C1 ZINC000408211277 278181323 /nfs/dbraw/zinc/18/13/23/278181323.db2.gz NQIKJJGOTGJNDL-WDEREUQCSA-N 0 0 307.316 0.750 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000275445366 278193656 /nfs/dbraw/zinc/19/36/56/278193656.db2.gz WBVBMZRIXWMYAU-ZIAGYGMSSA-N 0 0 321.425 0.465 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCS1(=O)=O ZINC000172370614 288036171 /nfs/dbraw/zinc/03/61/71/288036171.db2.gz NJQQRALEIBYHTJ-MRVPVSSYSA-N 0 0 309.347 0.115 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCCN(C(N)=O)CC1 ZINC000104379234 278657427 /nfs/dbraw/zinc/65/74/27/278657427.db2.gz QCWFSMOHSPTZGH-LBPRGKRZSA-N 0 0 310.398 0.391 10 0 DCAERN Cc1noc(CCCC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC000547735347 288073893 /nfs/dbraw/zinc/07/38/93/288073893.db2.gz CRPQISFJEKBBEH-GFCCVEGCSA-N 0 0 307.350 0.907 10 0 DCAERN Cc1nc(N[C@@H]2CCC(=O)N[C@@H]2C)sc1S(N)(=O)=O ZINC000338488752 279101694 /nfs/dbraw/zinc/10/16/94/279101694.db2.gz HOSPMNWFDQNISG-IYSWYEEDSA-N 0 0 304.397 0.178 10 0 DCAERN Cc1ncc2n1CC[C@H](C(=O)N1CC[C@@H]3OCCN(C)[C@@H]3C1)C2 ZINC000329748301 279162597 /nfs/dbraw/zinc/16/25/97/279162597.db2.gz ZXCWJGIHPSYZMJ-IMJJTQAJSA-N 0 0 318.421 0.685 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173893410 279385968 /nfs/dbraw/zinc/38/59/68/279385968.db2.gz ONQGCCBUTDLSHV-CQSZACIVSA-N 0 0 319.471 0.758 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c([C@@H]2CCOC2)n1 ZINC000548341831 288133657 /nfs/dbraw/zinc/13/36/57/288133657.db2.gz PLTYNPUPRKBZMM-GHMZBOCLSA-N 0 0 318.377 0.417 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000176079634 279534785 /nfs/dbraw/zinc/53/47/85/279534785.db2.gz UBIRUTGYLSRNQN-CABZTGNLSA-N 0 0 323.315 0.704 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cn1)C(C)C ZINC000548756980 288173526 /nfs/dbraw/zinc/17/35/26/288173526.db2.gz BUDNCWXVJIRPES-CYBMUJFWSA-N 0 0 306.366 0.883 10 0 DCAERN CN(Cc1cccc(O)c1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000548716618 288170261 /nfs/dbraw/zinc/17/02/61/288170261.db2.gz ORAVTIDQKQKFQS-QGZVFWFLSA-N 0 0 316.357 0.964 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000548720526 288170628 /nfs/dbraw/zinc/17/06/28/288170628.db2.gz BBSHXOLUCNCHCL-OAHLLOKOSA-N 0 0 317.349 0.624 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)COc2cnn(C)c2)CC1(C)C ZINC000548775905 288175811 /nfs/dbraw/zinc/17/58/11/288175811.db2.gz YHSPIUFVMUGUSE-UHFFFAOYSA-N 0 0 308.382 0.657 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000548831648 288180559 /nfs/dbraw/zinc/18/05/59/288180559.db2.gz SQQRQCHXTOOVRI-NSHDSACASA-N 0 0 308.386 0.701 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CCSC[C@H]1CCO ZINC000549039723 288190545 /nfs/dbraw/zinc/19/05/45/288190545.db2.gz QBHYHOVXGCEUQS-GFCCVEGCSA-N 0 0 319.390 0.602 10 0 DCAERN COc1nccc(NC(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)n1 ZINC000549242297 288195162 /nfs/dbraw/zinc/19/51/62/288195162.db2.gz CXKNMIDQGMAAAM-SECBINFHSA-N 0 0 304.310 0.548 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000549591155 288200852 /nfs/dbraw/zinc/20/08/52/288200852.db2.gz NGVQKGICHOHTMI-GXSJLCMTSA-N 0 0 306.370 0.250 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)N1CCC[C@H]1C ZINC000494586504 280224638 /nfs/dbraw/zinc/22/46/38/280224638.db2.gz MMCBKJFZKFESSH-VXGBXAGGSA-N 0 0 303.428 0.658 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)cnn1C ZINC000176606698 280241486 /nfs/dbraw/zinc/24/14/86/280241486.db2.gz HWFJPRRUJCGDEM-GFCCVEGCSA-N 0 0 300.318 0.917 10 0 DCAERN CC(C)[C@H]1N(S(=O)(=O)N2CCOCC2)C[C@]12CCCO2 ZINC000328830562 280476548 /nfs/dbraw/zinc/47/65/48/280476548.db2.gz KNPLBDMWTWJZJV-CHWSQXEVSA-N 0 0 304.412 0.453 10 0 DCAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@H](C(N)=O)C1 ZINC000092735417 280694707 /nfs/dbraw/zinc/69/47/07/280694707.db2.gz BRZJQTIRSXVFLJ-JTQLQIEISA-N 0 0 300.790 0.883 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H](O)C1)C(=O)Nc1ccc2nccn2c1 ZINC000552743949 288280015 /nfs/dbraw/zinc/28/00/15/288280015.db2.gz NPYDPSZLGBKGNJ-DGCLKSJQSA-N 0 0 316.361 0.940 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCC2)CCN1C[C@@H](C)O ZINC000408427991 281172568 /nfs/dbraw/zinc/17/25/68/281172568.db2.gz AZSGRBAILSVACY-OLZOCXBDSA-N 0 0 305.444 0.104 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)COc2cnn(C)c2)C12CCOCC2 ZINC000554528789 288326162 /nfs/dbraw/zinc/32/61/62/288326162.db2.gz GTDUOUIKMYCUPW-UONOGXRCSA-N 0 0 323.393 0.889 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000554702982 288335905 /nfs/dbraw/zinc/33/59/05/288335905.db2.gz UPSNNVJUMYRCRT-YPMHNXCESA-N 0 0 324.425 0.601 10 0 DCAERN CN(C(=O)C1(O)CCOCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000330005271 281709668 /nfs/dbraw/zinc/70/96/68/281709668.db2.gz DDOGBJZDDGUEHL-ZDUSSCGKSA-N 0 0 320.393 0.445 10 0 DCAERN CC1CCN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000408012244 281831565 /nfs/dbraw/zinc/83/15/65/281831565.db2.gz DKUMPISUGRSJJZ-VXGBXAGGSA-N 0 0 303.428 0.549 10 0 DCAERN Cn1cc(OCC(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 ZINC000558595485 288449920 /nfs/dbraw/zinc/44/99/20/288449920.db2.gz XVPLJXHEJCEGDK-ZDUSSCGKSA-N 0 0 320.374 0.560 10 0 DCAERN CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560990252 288522982 /nfs/dbraw/zinc/52/29/82/288522982.db2.gz YLDUIXYXGJVHEL-UHFFFAOYSA-N 0 0 317.349 0.257 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCOCC1CCC1 ZINC000562297567 288563852 /nfs/dbraw/zinc/56/38/52/288563852.db2.gz VOTUXBPTCNQLDL-TZMCWYRMSA-N 0 0 300.399 0.984 10 0 DCAERN COc1cc(C)ccc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000563505148 288681027 /nfs/dbraw/zinc/68/10/27/288681027.db2.gz FCPWHSNLKRMNLN-INIZCTEOSA-N 0 0 317.345 0.818 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000564951033 288795903 /nfs/dbraw/zinc/79/59/03/288795903.db2.gz DPFJBFNTISNKOW-ZYHUDNBSSA-N 0 0 319.361 0.901 10 0 DCAERN COCc1nc(CNC(=O)[C@H]2CCc3nnnn3CC2)cs1 ZINC000565088727 288816680 /nfs/dbraw/zinc/81/66/80/288816680.db2.gz JXJXDWFRXRFEHI-VIFPVBQESA-N 0 0 322.394 0.545 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2ccc(N3CCC3)nc2)C1 ZINC000565099641 288817946 /nfs/dbraw/zinc/81/79/46/288817946.db2.gz MNLVHJYGMSSQCB-CYBMUJFWSA-N 0 0 302.378 0.890 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000408267419 289001513 /nfs/dbraw/zinc/00/15/13/289001513.db2.gz APIXZQXQWXGUNH-UPJWGTAASA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)C(=O)[C@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333918514 289023578 /nfs/dbraw/zinc/02/35/78/289023578.db2.gz OHNVKIJSNIZMJB-MROQNXINSA-N 0 0 300.424 0.915 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532468 290081536 /nfs/dbraw/zinc/08/15/36/290081536.db2.gz NSYGEMAVVPSXES-HZSPNIEDSA-N 0 0 319.409 0.902 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864503 290113306 /nfs/dbraw/zinc/11/33/06/290113306.db2.gz GCVBOBYMEZVIPW-STQMWFEESA-N 0 0 304.346 0.960 10 0 DCAERN CN1C[C@H](NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CCC1=O ZINC000150734661 290307951 /nfs/dbraw/zinc/30/79/51/290307951.db2.gz UPRXOMVBBBKIJO-PXAZEXFGSA-N 0 0 316.357 0.895 10 0 DCAERN CNC(=O)C1(C(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)CC1 ZINC000370184634 290346989 /nfs/dbraw/zinc/34/69/89/290346989.db2.gz OPPBQNKSHIIRBF-OAHLLOKOSA-N 0 0 310.394 0.699 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274472949 294549915 /nfs/dbraw/zinc/54/99/15/294549915.db2.gz ZOWKBMPBIIQQCI-XJKSGUPXSA-N 0 0 320.393 0.998 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@H](C)CC2)N(S(C)(=O)=O)C1 ZINC000329845377 294642506 /nfs/dbraw/zinc/64/25/06/294642506.db2.gz LRWPABOLVQAZHK-RWMBFGLXSA-N 0 0 318.439 0.684 10 0 DCAERN NC(=O)CCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000177193580 295040955 /nfs/dbraw/zinc/04/09/55/295040955.db2.gz JRNHRAWEAUHHJM-VIFPVBQESA-N 0 0 311.773 0.488 10 0 DCAERN COc1ccc(/C=C(/C)C(=O)N2CCOC[C@@H]2C(N)=O)cc1F ZINC000183691829 295052395 /nfs/dbraw/zinc/05/23/95/295052395.db2.gz UNSLSDHCVQRYGS-PGJNLMOESA-N 0 0 322.336 0.950 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc2nccnc2cc1F ZINC000347226681 295129131 /nfs/dbraw/zinc/12/91/31/295129131.db2.gz AKLHLAQGBNGFNL-MADCSZMMSA-N 0 0 306.272 0.807 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000073818738 295185369 /nfs/dbraw/zinc/18/53/69/295185369.db2.gz NVEUHFVCTCVFJS-OCZCAGDBSA-N 0 0 317.389 0.817 10 0 DCAERN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCCN1 ZINC000182996055 295493860 /nfs/dbraw/zinc/49/38/60/295493860.db2.gz YXYOIVRJDZOSCL-INIZCTEOSA-N 0 0 314.345 0.117 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000408237665 297157324 /nfs/dbraw/zinc/15/73/24/297157324.db2.gz RGQLOCXRBNHCNH-MNOVXSKESA-N 0 0 321.443 0.187 10 0 DCAERN C[C@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)CC(=O)N1C ZINC000282385583 300201404 /nfs/dbraw/zinc/20/14/04/300201404.db2.gz NYUZJWRQQQTXJB-JTQLQIEISA-N 0 0 310.375 0.393 10 0 DCAERN O=C1NC(=O)[C@@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)N1 ZINC000365523651 304657802 /nfs/dbraw/zinc/65/78/02/304657802.db2.gz RMVIZEOBHKXRQI-ZDUSSCGKSA-N 0 0 315.395 0.180 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000408456193 302291965 /nfs/dbraw/zinc/29/19/65/302291965.db2.gz GPWONBUERCBYJZ-WDEREUQCSA-N 0 0 318.420 0.586 10 0 DCAERN Cn1[nH]c(Cn2cnc3sc4c(c3c2=O)CCCC4)nc1=O ZINC000408207254 302890783 /nfs/dbraw/zinc/89/07/83/302890783.db2.gz HDPYKQWDXXSYIZ-UHFFFAOYSA-N 0 0 317.374 0.807 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)cn1 ZINC000246991142 302918663 /nfs/dbraw/zinc/91/86/63/302918663.db2.gz PFYFXIPUBBZOAF-GHMZBOCLSA-N 0 0 303.409 0.315 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)[C@@H]2CSCCS2)cn1 ZINC000181420580 302936710 /nfs/dbraw/zinc/93/67/10/302936710.db2.gz WDLCSFODKSDLPH-NEPJUHHUSA-N 0 0 312.464 0.742 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000123858955 303290445 /nfs/dbraw/zinc/29/04/45/303290445.db2.gz RNHPMLUHCWLORF-OLZOCXBDSA-N 0 0 324.425 0.732 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccccc1Br ZINC000091783493 303333906 /nfs/dbraw/zinc/33/39/06/303333906.db2.gz LCTJDFJXGZIRFY-SNVBAGLBSA-N 0 0 313.151 0.775 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000119992325 303339515 /nfs/dbraw/zinc/33/95/15/303339515.db2.gz YEDKTUFFBAUDGX-YGRLFVJLSA-N 0 0 309.391 0.898 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)C[C@@H](O)Cc2ccccc2)C1 ZINC000570730257 332807081 /nfs/dbraw/zinc/80/70/81/332807081.db2.gz SOTQELZEIXMAGL-CVEARBPZSA-N 0 0 304.390 0.965 10 0 DCAERN O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CCCNC1=O ZINC000332743339 332862180 /nfs/dbraw/zinc/86/21/80/332862180.db2.gz OCEYQDFMEILAFI-QWRGUYRKSA-N 0 0 305.334 0.404 10 0 DCAERN C[C@H]1SCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H]1C ZINC000332832558 332881036 /nfs/dbraw/zinc/88/10/36/332881036.db2.gz SYKFFOKTPTYBDF-WHOHXGKFSA-N 0 0 311.411 0.753 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172119368 332606741 /nfs/dbraw/zinc/60/67/41/332606741.db2.gz XNEYDFAPJBVGCP-LLVKDONJSA-N 0 0 300.384 0.403 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000189562039 333110593 /nfs/dbraw/zinc/11/05/93/333110593.db2.gz BSRLVHKGHMBEPL-UHFFFAOYSA-N 0 0 322.394 0.719 10 0 DCAERN Cc1nnc(N2C[C@H](C(N)=O)CC[C@H]2C)n1C[C@H]1CCCO1 ZINC000582274850 336869767 /nfs/dbraw/zinc/86/97/67/336869767.db2.gz MOXLYPOYMMKMSZ-RAIGVLPGSA-N 0 0 307.398 0.856 10 0 DCAERN CCc1ncc(C(=O)N2CCc3c(ncn(C)c3=O)C2)s1 ZINC000328618968 337383758 /nfs/dbraw/zinc/38/37/58/337383758.db2.gz FIUDNXPMLIXNTK-UHFFFAOYSA-N 0 0 304.375 0.998 10 0 DCAERN O=C(NC1CCCCCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000580577296 341880568 /nfs/dbraw/zinc/88/05/68/341880568.db2.gz POMHTRPXEYNLGT-MRXNPFEDSA-N 0 0 310.394 0.843 10 0 DCAERN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000580598475 341884194 /nfs/dbraw/zinc/88/41/94/341884194.db2.gz ZJWIDSHGWCQTKV-WWGRRREGSA-N 0 0 310.394 0.699 10 0 DCAERN CC[C@H]1NC(=O)N(C2CCN(S(=O)(=O)CC)CC2)C1=O ZINC000348838909 341958003 /nfs/dbraw/zinc/95/80/03/341958003.db2.gz SBYYXAYEIFJQQK-SNVBAGLBSA-N 0 0 303.384 0.131 10 0 DCAERN CC(C)C[C@@H](C)N(C)C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000246968807 519772325 /nfs/dbraw/zinc/77/23/25/519772325.db2.gz GPCTXVTWEWNJAC-OLZOCXBDSA-N 0 0 304.456 0.998 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@H](C)C[S@](C)=O)CC2)n[nH]1 ZINC000186832152 533899049 /nfs/dbraw/zinc/89/90/49/533899049.db2.gz TUSHFFZZSCYESG-FIKIJFGZSA-N 0 0 313.427 0.317 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2cccs2)CCN1CCO ZINC000187695446 533906652 /nfs/dbraw/zinc/90/66/52/533906652.db2.gz JKYSVSKWEYDVQN-ZDUSSCGKSA-N 0 0 311.451 0.705 10 0 DCAERN Cc1cc(N2CC[C@H](S(=O)(=O)NC(C)C)C2)n2ncnc2n1 ZINC000301734732 533909814 /nfs/dbraw/zinc/90/98/14/533909814.db2.gz GNSYQDSWNXQTLL-NSHDSACASA-N 0 0 324.410 0.339 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187304206 533961816 /nfs/dbraw/zinc/96/18/16/533961816.db2.gz JDCQDHOPTBOXPC-LBPRGKRZSA-N 0 0 306.362 0.403 10 0 DCAERN C[C@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661790 533975355 /nfs/dbraw/zinc/97/53/55/533975355.db2.gz VBQITSUSLPCIAM-HOCLYGCPSA-N 0 0 305.422 0.814 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000299745039 534005936 /nfs/dbraw/zinc/00/59/36/534005936.db2.gz QWGCSDDVIJSTPR-MFKMUULPSA-N 0 0 317.324 0.614 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1COc2ccccc2C1 ZINC000299612915 534273734 /nfs/dbraw/zinc/27/37/34/534273734.db2.gz IABWFCJTQLZEFY-AAEUAGOBSA-N 0 0 301.350 0.970 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000089752875 518154707 /nfs/dbraw/zinc/15/47/07/518154707.db2.gz FWIKSIKKQKMHCB-SNVBAGLBSA-N 0 0 310.737 0.813 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000246393768 518160617 /nfs/dbraw/zinc/16/06/17/518160617.db2.gz IGQJIIZOQONCET-GDLCADMTSA-N 0 0 306.362 0.948 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCn1ccnc1 ZINC000447903500 518181271 /nfs/dbraw/zinc/18/12/71/518181271.db2.gz NIJNSKSRGQGBKJ-OAHLLOKOSA-N 0 0 304.350 0.002 10 0 DCAERN NC(=O)Cn1cc(-c2nc(-c3ccc(F)c(F)c3)no2)nn1 ZINC000174829131 534370476 /nfs/dbraw/zinc/37/04/76/534370476.db2.gz YOTCXXSZIIKBEZ-UHFFFAOYSA-N 0 0 306.232 0.759 10 0 DCAERN Cn1nnnc1SCCC(=O)NCCCc1ccccn1 ZINC000179073223 534375504 /nfs/dbraw/zinc/37/55/04/534375504.db2.gz SYJANJGKOXIAMG-UHFFFAOYSA-N 0 0 306.395 0.836 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN2CC(=O)NC2=O)c1 ZINC000266660621 519454134 /nfs/dbraw/zinc/45/41/34/519454134.db2.gz QWEMJGWJAXYICW-UHFFFAOYSA-N 0 0 304.306 0.160 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000267547595 519547343 /nfs/dbraw/zinc/54/73/43/519547343.db2.gz AOGRSUQSJLMLOY-DZGCQCFKSA-N 0 0 320.393 0.579 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000189830215 519648120 /nfs/dbraw/zinc/64/81/20/519648120.db2.gz SWWSHJGJDPJBSK-UHFFFAOYSA-N 0 0 314.349 0.297 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000190060626 519648330 /nfs/dbraw/zinc/64/83/30/519648330.db2.gz FZYIQEQWKDDPIL-CQSZACIVSA-N 0 0 316.361 0.322 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000365938712 519698503 /nfs/dbraw/zinc/69/85/03/519698503.db2.gz XMZFNCONQINSDC-QOWREQOWSA-N 0 0 321.421 0.807 10 0 DCAERN CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102083 519772223 /nfs/dbraw/zinc/77/22/23/519772223.db2.gz MSBXGJHZBWERKV-CHWSQXEVSA-N 0 0 319.471 0.503 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000157063087 519800792 /nfs/dbraw/zinc/80/07/92/519800792.db2.gz NAPBGRXLDGSAHS-AWEZNQCLSA-N 0 0 316.361 0.944 10 0 DCAERN CC(C)[C@H](O)CC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000157167524 519822720 /nfs/dbraw/zinc/82/27/20/519822720.db2.gz GFHORJFSMQCJGT-UKRRQHHQSA-N 0 0 316.467 0.718 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2 ZINC000161589079 519871363 /nfs/dbraw/zinc/87/13/63/519871363.db2.gz YQCRGMKAQQNOBE-WDEREUQCSA-N 0 0 320.397 0.246 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCn1ccnc1)CC2 ZINC000154828400 519871787 /nfs/dbraw/zinc/87/17/87/519871787.db2.gz VGVDCDUCCUIAMV-GFCCVEGCSA-N 0 0 317.397 0.912 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000157102430 519874870 /nfs/dbraw/zinc/87/48/70/519874870.db2.gz NTBLTFBKNYGRJE-LLVKDONJSA-N 0 0 308.382 0.502 10 0 DCAERN C[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCN1CCO ZINC000187702797 534478523 /nfs/dbraw/zinc/47/85/23/534478523.db2.gz UZCCGOLGHKECNQ-GHMZBOCLSA-N 0 0 309.332 0.148 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccc(O)cc2)C[C@H](CO)O1 ZINC000163291632 520493056 /nfs/dbraw/zinc/49/30/56/520493056.db2.gz WBRULTDCQIKDOQ-LLVKDONJSA-N 0 0 301.364 0.553 10 0 DCAERN CC1(CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)COC1 ZINC000112621205 520706971 /nfs/dbraw/zinc/70/69/71/520706971.db2.gz NKXPIGROUDRVNN-ZDUSSCGKSA-N 0 0 316.361 0.259 10 0 DCAERN CC1(CNC(=O)c2ccc(N3CCCC3)nn2)OCCCO1 ZINC000191136612 520727530 /nfs/dbraw/zinc/72/75/30/520727530.db2.gz ODBDZNIRYADDIB-UHFFFAOYSA-N 0 0 306.366 0.960 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000188010302 534519981 /nfs/dbraw/zinc/51/99/81/534519981.db2.gz JAJKDCPDSMKTMH-KBPBESRZSA-N 0 0 315.329 0.836 10 0 DCAERN CCN(CCc1nccs1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000132049037 521178106 /nfs/dbraw/zinc/17/81/06/521178106.db2.gz RURGPSWPLTUUJN-VIFPVBQESA-N 0 0 305.425 0.472 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@@H]3CSCN3)CC2)C1=O ZINC000366358016 521671649 /nfs/dbraw/zinc/67/16/49/521671649.db2.gz XYZRDQVLNQFDOB-LBPRGKRZSA-N 0 0 312.439 0.397 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000132183773 521740113 /nfs/dbraw/zinc/74/01/13/521740113.db2.gz RQHWIRIIPXNSIB-GFCCVEGCSA-N 0 0 308.386 0.295 10 0 DCAERN CNC(=O)c1cccnc1N1CCC(Cn2ccnn2)CC1 ZINC000157730775 521920189 /nfs/dbraw/zinc/92/01/89/521920189.db2.gz YQRLYEGZBJMEOK-UHFFFAOYSA-N 0 0 300.366 0.949 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000154411820 522352664 /nfs/dbraw/zinc/35/26/64/522352664.db2.gz XDPQWOQASDNBCD-GHMZBOCLSA-N 0 0 306.370 0.708 10 0 DCAERN COC(=O)c1coc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188508971 522357043 /nfs/dbraw/zinc/35/70/43/522357043.db2.gz VZOLDCLROJCDQR-UHFFFAOYSA-N 0 0 306.318 0.807 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2ncccc2Cl)CC1 ZINC000195092550 534635942 /nfs/dbraw/zinc/63/59/42/534635942.db2.gz UTKKEYGGGIVPEI-SNVBAGLBSA-N 0 0 308.769 0.520 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)C(=O)NC ZINC000129433058 522510233 /nfs/dbraw/zinc/51/02/33/522510233.db2.gz BITNPHJERKQDIP-JTQLQIEISA-N 0 0 322.413 0.747 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccccc2Cl)C1 ZINC000188151763 522758321 /nfs/dbraw/zinc/75/83/21/522758321.db2.gz NNWMFWINAARXAO-UHFFFAOYSA-N 0 0 311.769 0.996 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2cccc(F)c2)C1 ZINC000188246931 522758368 /nfs/dbraw/zinc/75/83/68/522758368.db2.gz IEJUZGISTQTWOM-UHFFFAOYSA-N 0 0 309.341 0.525 10 0 DCAERN COC(=O)CCCC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000131173112 522955778 /nfs/dbraw/zinc/95/57/78/522955778.db2.gz SERUVDSWPLODAT-NSHDSACASA-N 0 0 324.381 0.927 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000154974140 523121375 /nfs/dbraw/zinc/12/13/75/523121375.db2.gz ABZVTZUGOLLYTJ-SNVBAGLBSA-N 0 0 316.308 0.724 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000132302639 523254728 /nfs/dbraw/zinc/25/47/28/523254728.db2.gz HXAYSMSLUTYERM-RISCZKNCSA-N 0 0 323.393 0.927 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@H](c2cccs2)C1 ZINC000127809029 523626870 /nfs/dbraw/zinc/62/68/70/523626870.db2.gz RCFKTQJKAMKWSB-NSHDSACASA-N 0 0 320.436 0.944 10 0 DCAERN CN1C(=O)CO[C@@H](C(=O)N2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000365199695 523694026 /nfs/dbraw/zinc/69/40/26/523694026.db2.gz UMARJTGQIPZUPX-NWANDNLSSA-N 0 0 304.346 0.178 10 0 DCAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000158500316 523749130 /nfs/dbraw/zinc/74/91/30/523749130.db2.gz GPULEGKLODJTTL-KWQFWETISA-N 0 0 320.271 0.500 10 0 DCAERN COc1ccc(C)cc1N1C[C@H](C(=O)N2CC(CO)C2)CC1=O ZINC000159106288 523818521 /nfs/dbraw/zinc/81/85/21/523818521.db2.gz FKMIIPLVVGOZII-CYBMUJFWSA-N 0 0 318.373 0.807 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000192894087 523887731 /nfs/dbraw/zinc/88/77/31/523887731.db2.gz TZXOSBJAWZOIHH-LLVKDONJSA-N 0 0 300.380 0.371 10 0 DCAERN CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)[C@H]1CCOC1 ZINC000161873027 523923495 /nfs/dbraw/zinc/92/34/95/523923495.db2.gz CFJYHIJSOOSMNZ-QMMMGPOBSA-N 0 0 302.327 0.334 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226999 523938191 /nfs/dbraw/zinc/93/81/91/523938191.db2.gz KKSLOLZLILYAKJ-AWEZNQCLSA-N 0 0 316.365 0.719 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000152917232 523983389 /nfs/dbraw/zinc/98/33/89/523983389.db2.gz OQAJEDLHANVPQM-WDEREUQCSA-N 0 0 306.366 0.231 10 0 DCAERN CNC(=O)CC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189166894 524053771 /nfs/dbraw/zinc/05/37/71/524053771.db2.gz QVGATLCXQVRYMJ-UHFFFAOYSA-N 0 0 309.797 0.950 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)CCOC)nc1 ZINC000191259010 524082701 /nfs/dbraw/zinc/08/27/01/524082701.db2.gz GSEDKQBAPXQJTH-AWEZNQCLSA-N 0 0 306.410 0.875 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n(C)n1 ZINC000154315887 524128893 /nfs/dbraw/zinc/12/88/93/524128893.db2.gz JYAJVOJIQWBEBT-GFCCVEGCSA-N 0 0 302.382 0.861 10 0 DCAERN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCO[C@@H](CO)C1 ZINC000267575596 524142710 /nfs/dbraw/zinc/14/27/10/524142710.db2.gz DLXYTLYVIZDCSL-WCQYABFASA-N 0 0 310.419 0.714 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCO[C@]2(CCOC2)C1 ZINC000184485110 534773542 /nfs/dbraw/zinc/77/35/42/534773542.db2.gz WYCNRFXTBUAUDL-IUODEOHRSA-N 0 0 306.366 0.468 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000192085719 524325798 /nfs/dbraw/zinc/32/57/98/524325798.db2.gz VPSBJCIPYWIZRG-VHSXEESVSA-N 0 0 319.365 0.140 10 0 DCAERN Cc1cc(C)c2c(c1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CC2 ZINC000188651670 524344311 /nfs/dbraw/zinc/34/43/11/524344311.db2.gz QYQLDJWPICNELM-ZDUSSCGKSA-N 0 0 301.346 0.786 10 0 DCAERN C[C@H](CNC(=O)Cc1c[nH]c2ncccc12)N1CCOCC1 ZINC000155822677 524390144 /nfs/dbraw/zinc/39/01/44/524390144.db2.gz QCQVKHITQVHATQ-GFCCVEGCSA-N 0 0 302.378 0.942 10 0 DCAERN Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000156468848 524398139 /nfs/dbraw/zinc/39/81/39/524398139.db2.gz YKDNUSRZOBBWAC-AAEUAGOBSA-N 0 0 303.362 0.949 10 0 DCAERN Cc1ccc(CN2CC[C@H](NC(=O)N3CC(CO)C3)C2=O)cc1 ZINC000188589993 524473815 /nfs/dbraw/zinc/47/38/15/524473815.db2.gz VKLBFFKJIGKIHT-HNNXBMFYSA-N 0 0 317.389 0.730 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN3CCOC[C@H]3C2)cc1F ZINC000368826705 524504901 /nfs/dbraw/zinc/50/49/01/524504901.db2.gz SBDWSZAPTSSFSM-OAHLLOKOSA-N 0 0 321.396 0.767 10 0 DCAERN Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)c(C)c1 ZINC000155746105 524675826 /nfs/dbraw/zinc/67/58/26/524675826.db2.gz QSVKTRWJXHAVDC-AAEUAGOBSA-N 0 0 303.362 0.949 10 0 DCAERN C[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)C[C@@H](C2CC2)O1 ZINC000366306312 524805107 /nfs/dbraw/zinc/80/51/07/524805107.db2.gz ULNKWHWDVJZOPG-SCZZXKLOSA-N 0 0 323.315 0.874 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127983049 524811687 /nfs/dbraw/zinc/81/16/87/524811687.db2.gz FQFRYSWIYBZHHP-RYUDHWBXSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000176876209 524828115 /nfs/dbraw/zinc/82/81/15/524828115.db2.gz VOSVPTNAQBXHGH-LBPRGKRZSA-N 0 0 313.423 0.802 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H](C(N)=O)O1 ZINC000157459371 524851684 /nfs/dbraw/zinc/85/16/84/524851684.db2.gz QWRYKOJGWHDPNK-NOZJJQNGSA-N 0 0 316.317 0.451 10 0 DCAERN C[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)CCS1(=O)=O ZINC000155658177 524956725 /nfs/dbraw/zinc/95/67/25/524956725.db2.gz HXGMDWDUSRMMRT-LLVKDONJSA-N 0 0 322.386 0.402 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1C ZINC000122335316 524997662 /nfs/dbraw/zinc/99/76/62/524997662.db2.gz SMWTZCBBYJQHIF-LBPRGKRZSA-N 0 0 324.402 0.887 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000366394986 525097255 /nfs/dbraw/zinc/09/72/55/525097255.db2.gz UBMYMUBDFFYQGD-GFCCVEGCSA-N 0 0 322.386 0.485 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186023057 525246397 /nfs/dbraw/zinc/24/63/97/525246397.db2.gz AIRSNLGKZYJPNW-XHDPSFHLSA-N 0 0 324.402 0.884 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189252428 525494224 /nfs/dbraw/zinc/49/42/24/525494224.db2.gz OWGMLAJJCNQERN-ZWNOBZJWSA-N 0 0 312.391 0.660 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000162126522 525515044 /nfs/dbraw/zinc/51/50/44/525515044.db2.gz HQMUVIZKFCGQCG-VHSXEESVSA-N 0 0 318.420 0.586 10 0 DCAERN CSC[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000228063838 525664657 /nfs/dbraw/zinc/66/46/57/525664657.db2.gz WHEQVAKOBHHJSS-VIFPVBQESA-N 0 0 313.832 0.466 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000364298809 525701342 /nfs/dbraw/zinc/70/13/42/525701342.db2.gz ZNQBALBQJSTDMW-CMPLNLGQSA-N 0 0 306.366 0.382 10 0 DCAERN C[C@H](O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000125974827 525721135 /nfs/dbraw/zinc/72/11/35/525721135.db2.gz QAZJOHYESIRIOK-CORIIIEPSA-N 0 0 305.378 0.830 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000364252286 525745034 /nfs/dbraw/zinc/74/50/34/525745034.db2.gz VKUPKGYOVHQZRQ-QLJPJBMISA-N 0 0 323.393 0.326 10 0 DCAERN C[C@@H](O)CCNC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000118719423 525765451 /nfs/dbraw/zinc/76/54/51/525765451.db2.gz ZKQIRTOZDMVNNL-GHMZBOCLSA-N 0 0 304.350 0.212 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000157013817 525766013 /nfs/dbraw/zinc/76/60/13/525766013.db2.gz KBLCDZWXAFFLKC-GFCCVEGCSA-N 0 0 316.361 0.757 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000249530577 525916000 /nfs/dbraw/zinc/91/60/00/525916000.db2.gz AVYODBNYKBVHID-HZSPNIEDSA-N 0 0 300.399 0.096 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H](C(N)=O)C(C)C)c1 ZINC000117920095 526065135 /nfs/dbraw/zinc/06/51/35/526065135.db2.gz UWJXCKQMVODBJR-GFCCVEGCSA-N 0 0 300.380 0.625 10 0 DCAERN COc1cccc(Cl)c1CC(=O)NCCOCC(N)=O ZINC000153903861 526092800 /nfs/dbraw/zinc/09/28/00/526092800.db2.gz KQHHYWVGYXAKGA-UHFFFAOYSA-N 0 0 300.742 0.509 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000174413959 526125015 /nfs/dbraw/zinc/12/50/15/526125015.db2.gz PCKCTSPQVQOQAR-VIFPVBQESA-N 0 0 321.308 0.562 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)[C@H](CO)CC(C)C ZINC000191104004 526134340 /nfs/dbraw/zinc/13/43/40/526134340.db2.gz VGRNTJBWMCFIQZ-LBPRGKRZSA-N 0 0 323.393 0.498 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188857957 526262361 /nfs/dbraw/zinc/26/23/61/526262361.db2.gz PMMRDVJQUWDIED-UHFFFAOYSA-N 0 0 305.382 0.502 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)c1 ZINC000267007856 526265981 /nfs/dbraw/zinc/26/59/81/526265981.db2.gz MBPLVQQROHFCNI-OLZOCXBDSA-N 0 0 305.382 0.898 10 0 DCAERN O=C(NCCNc1nccc(C(F)(F)F)n1)[C@H]1CNC(=O)C1 ZINC000128921868 526340382 /nfs/dbraw/zinc/34/03/82/526340382.db2.gz NOPZWIHJWQGEOW-SSDOTTSWSA-N 0 0 317.271 0.160 10 0 DCAERN Cc1nc(SCCC(=O)N2CC(NC(=O)C3CCC3)C2)n[nH]1 ZINC000189226659 526382976 /nfs/dbraw/zinc/38/29/76/526382976.db2.gz BOZDSQDPDUWOMW-UHFFFAOYSA-N 0 0 323.422 0.722 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111664117 526486454 /nfs/dbraw/zinc/48/64/54/526486454.db2.gz RQCRWOMEJAEOEL-ZDUSSCGKSA-N 0 0 303.366 0.693 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000154726560 526549397 /nfs/dbraw/zinc/54/93/97/526549397.db2.gz FMMSOVCQIGSDOA-JSGCOSHPSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCN2CCOC[C@H]2C1 ZINC000364268859 526654040 /nfs/dbraw/zinc/65/40/40/526654040.db2.gz OQPFQWVEDOIOQM-CQSZACIVSA-N 0 0 313.361 0.628 10 0 DCAERN O=C(c1ccc(-c2ncon2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000176237224 526654188 /nfs/dbraw/zinc/65/41/88/526654188.db2.gz XKNODWBRSQBLHL-LBPRGKRZSA-N 0 0 313.317 0.586 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cnn(C(C)C)c2)C1 ZINC000126729882 526667368 /nfs/dbraw/zinc/66/73/68/526667368.db2.gz CUJJXTJTQHITQJ-NSHDSACASA-N 0 0 300.384 0.363 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000178369165 526677962 /nfs/dbraw/zinc/67/79/62/526677962.db2.gz WJBBDBKYHBITDF-MBNYWOFBSA-N 0 0 300.424 0.965 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000127057837 526867444 /nfs/dbraw/zinc/86/74/44/526867444.db2.gz ARPOMARRZBVCDZ-MCIONIFRSA-N 0 0 303.362 0.885 10 0 DCAERN NC(=O)[C@@H](NC(=O)NCCCn1ccnn1)c1ccc(F)cc1 ZINC000154509529 526954727 /nfs/dbraw/zinc/95/47/27/526954727.db2.gz DOUAFUZWBQVORK-LBPRGKRZSA-N 0 0 320.328 0.333 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1occc1Br ZINC000152145822 527019320 /nfs/dbraw/zinc/01/93/20/527019320.db2.gz SLYLVBZPDMXMQH-LURJTMIESA-N 0 0 301.096 0.577 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@H](O)C1CCCCC1 ZINC000364838002 527045629 /nfs/dbraw/zinc/04/56/29/527045629.db2.gz BXXBTWSJYDBJSI-LSDHHAIUSA-N 0 0 324.421 0.824 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)NCC(=O)N(C)C)cs1 ZINC000187666379 527046807 /nfs/dbraw/zinc/04/68/07/527046807.db2.gz LYSSRUKCPMGMTK-NSHDSACASA-N 0 0 324.406 0.319 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cccc(-c2ccccn2)c1 ZINC000164153862 527138717 /nfs/dbraw/zinc/13/87/17/527138717.db2.gz JNOOGLFVPGFWQV-AWEZNQCLSA-N 0 0 324.340 0.963 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000365984056 527174820 /nfs/dbraw/zinc/17/48/20/527174820.db2.gz GVVPPKLALTVBFQ-GFCCVEGCSA-N 0 0 322.434 0.387 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000163401298 527218865 /nfs/dbraw/zinc/21/88/65/527218865.db2.gz UPECMWYJTWGRNH-LBPRGKRZSA-N 0 0 306.341 0.856 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@@H](F)C[C@@H]1CO ZINC000364154163 527280993 /nfs/dbraw/zinc/28/09/93/527280993.db2.gz CZHLDDOFKGDTRQ-WDEREUQCSA-N 0 0 301.339 0.715 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)cn1 ZINC000128843415 527299989 /nfs/dbraw/zinc/29/99/89/527299989.db2.gz WHFCIJQLCPRQIA-YPMHNXCESA-N 0 0 305.382 0.540 10 0 DCAERN C/C(=C\c1ccccc1)CN(C)C(=O)C(=O)N1CC(CO)C1 ZINC000410633300 527530237 /nfs/dbraw/zinc/53/02/37/527530237.db2.gz GDNDHSQRMFTUMS-MDWZMJQESA-N 0 0 302.374 0.999 10 0 DCAERN O=C(NC1CN(C[C@@H](O)COc2ccc(F)cc2)C1)C1CC1 ZINC000187977584 527543377 /nfs/dbraw/zinc/54/33/77/527543377.db2.gz XZDXWZPRZBFSOL-CQSZACIVSA-N 0 0 308.353 0.776 10 0 DCAERN Nc1nc(N)nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000121108575 527555323 /nfs/dbraw/zinc/55/53/23/527555323.db2.gz CZPOQKGRYVFACW-KWQFWETISA-N 0 0 322.319 0.622 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC000153381214 527581553 /nfs/dbraw/zinc/58/15/53/527581553.db2.gz DWRWBFLLFHXZDB-SECBINFHSA-N 0 0 321.381 0.676 10 0 DCAERN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1COCCN1 ZINC000238008281 527584960 /nfs/dbraw/zinc/58/49/60/527584960.db2.gz ITBGAYMJLPYMDX-HNNXBMFYSA-N 0 0 304.390 0.839 10 0 DCAERN Cn1nccc1CCC(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000130482813 527602464 /nfs/dbraw/zinc/60/24/64/527602464.db2.gz UKXDZDMFMBGAIQ-LBPRGKRZSA-N 0 0 317.436 0.299 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188527931 527603466 /nfs/dbraw/zinc/60/34/66/527603466.db2.gz KINWDQMLFGHLKX-UHFFFAOYSA-N 0 0 318.377 0.347 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C1(C(=O)NC[C@@H](O)C(C)C)CCC1 ZINC000178476459 527733283 /nfs/dbraw/zinc/73/32/83/527733283.db2.gz SQRYCIAJYLEXQP-CHWSQXEVSA-N 0 0 314.426 0.423 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)CCSc1nnnn1C ZINC000174474969 527860487 /nfs/dbraw/zinc/86/04/87/527860487.db2.gz BMAVPJFJFBVPHK-ZDUSSCGKSA-N 0 0 315.443 0.996 10 0 DCAERN CCN(C1CCN(C[C@@H](O)C(F)(F)F)CC1)S(C)(=O)=O ZINC000181758926 527876794 /nfs/dbraw/zinc/87/67/94/527876794.db2.gz NJEXEFBZKBLNFM-SNVBAGLBSA-N 0 0 318.361 0.656 10 0 DCAERN CC(C)COC[C@@H](O)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000159263514 528106428 /nfs/dbraw/zinc/10/64/28/528106428.db2.gz CHTSKSOTWAPSLQ-OLZOCXBDSA-N 0 0 308.444 0.586 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N2CCSCC2)C1 ZINC000151893068 528403001 /nfs/dbraw/zinc/40/30/01/528403001.db2.gz VFHCUJDIDRIZOO-CHWSQXEVSA-N 0 0 313.467 0.941 10 0 DCAERN CC(C)N1CC[C@@H](N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1=O ZINC000299753515 529064935 /nfs/dbraw/zinc/06/49/35/529064935.db2.gz YJJBHNCDRZSXNK-VXGBXAGGSA-N 0 0 320.397 0.023 10 0 DCAERN CCN1CCN(CC(=O)N2CC[C@H](C)C[C@@H](C)C2)C(=O)C1=O ZINC000163188446 529137061 /nfs/dbraw/zinc/13/70/61/529137061.db2.gz BHMMBILEXRXPAM-QWHCGFSZSA-N 0 0 309.410 0.572 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCN2CCOCC2)c1 ZINC000457379280 536880965 /nfs/dbraw/zinc/88/09/65/536880965.db2.gz FKPMSHBQKBNTOD-UHFFFAOYSA-N 0 0 306.362 0.844 10 0 DCAERN NC(=O)[C@@H](Cn1cc(I)cn1)[NH2+]C1CC1 ZINC000070678672 545660987 /nfs/dbraw/zinc/66/09/87/545660987.db2.gz VQUIPFNSGHWHPZ-MRVPVSSYSA-N 0 0 320.134 0.094 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c(C)c1 ZINC000074812606 545670518 /nfs/dbraw/zinc/67/05/18/545670518.db2.gz YFLDLMACATXHJD-UHFFFAOYSA-N 0 0 324.402 0.999 10 0 DCAERN O=C(Cc1ccon1)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000074807456 545671128 /nfs/dbraw/zinc/67/11/28/545671128.db2.gz QRXOBFIXTZGZPS-CQSZACIVSA-N 0 0 321.377 0.847 10 0 DCAERN COc1nc(NC[C@@H]2CCC(=O)N2)ncc1Br ZINC000085686843 545704258 /nfs/dbraw/zinc/70/42/58/545704258.db2.gz NKIRNDBOEZMDJU-LURJTMIESA-N 0 0 301.144 0.938 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NC[C@H]3CN(C)CCO3)s2)cn1 ZINC000112195853 545734940 /nfs/dbraw/zinc/73/49/40/545734940.db2.gz AKGCKHFKZNYMQO-NSHDSACASA-N 0 0 321.406 0.604 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCN(Cc2ccncc2)CC1 ZINC000117745913 545736372 /nfs/dbraw/zinc/73/63/72/545736372.db2.gz RGRZOJYSJLTGKZ-INIZCTEOSA-N 0 0 319.405 0.779 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000126847983 545772998 /nfs/dbraw/zinc/77/29/98/545772998.db2.gz NPGIZXYRXFSFSB-NOZJJQNGSA-N 0 0 310.375 0.520 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H](O)CN2CCOCC2)C1(C)C ZINC000127421736 545776030 /nfs/dbraw/zinc/77/60/30/545776030.db2.gz VPVCZYPMIIQAGO-MELADBBJSA-N 0 0 312.410 0.047 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000134958089 545803614 /nfs/dbraw/zinc/80/36/14/545803614.db2.gz XOAHFBIVVHWXNC-JTQLQIEISA-N 0 0 314.411 0.552 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)c(F)c1 ZINC000135607230 545805106 /nfs/dbraw/zinc/80/51/06/545805106.db2.gz CUBSGVYKVGREGL-QMMMGPOBSA-N 0 0 304.343 0.785 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC(=O)NCCC2=CCCC2)c1 ZINC000152487836 545825819 /nfs/dbraw/zinc/82/58/19/545825819.db2.gz XYHVBDSKNITSNH-UHFFFAOYSA-N 0 0 312.395 0.315 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCNc1ccccn1 ZINC000156071763 545846181 /nfs/dbraw/zinc/84/61/81/545846181.db2.gz KBBWTRXFFCQVLT-LBPRGKRZSA-N 0 0 305.382 0.804 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000156596628 545848272 /nfs/dbraw/zinc/84/82/72/545848272.db2.gz IRDNEDHSLAHTEU-LBPRGKRZSA-N 0 0 313.365 0.462 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)C1 ZINC000176099830 545888439 /nfs/dbraw/zinc/88/84/39/545888439.db2.gz HOTLXXVWTBBSGP-HZMBPMFUSA-N 0 0 304.346 0.809 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ncccc2c1 ZINC000178632244 545896233 /nfs/dbraw/zinc/89/62/33/545896233.db2.gz MQQWDIIDLIFHOO-OAHLLOKOSA-N 0 0 315.373 0.658 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NC[C@@]3(O)CCOC3)s2)cn1 ZINC000178922476 545896587 /nfs/dbraw/zinc/89/65/87/545896587.db2.gz YCPIFXDQIVSQHJ-ZDUSSCGKSA-N 0 0 308.363 0.425 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCCCNC1=O ZINC000180500097 545901020 /nfs/dbraw/zinc/90/10/20/545901020.db2.gz HEZRZROARVLQCA-AWEZNQCLSA-N 0 0 321.425 0.937 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000183521274 545908820 /nfs/dbraw/zinc/90/88/20/545908820.db2.gz CJPNPLKMCGAUPH-GFCCVEGCSA-N 0 0 303.370 0.981 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCC1(CO)CCC1 ZINC000184794729 545910349 /nfs/dbraw/zinc/91/03/49/545910349.db2.gz BJTPSMGEIZIFIT-UHFFFAOYSA-N 0 0 305.378 0.878 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000187488980 545916398 /nfs/dbraw/zinc/91/63/98/545916398.db2.gz BVVGWAOAPTZXNM-CYBMUJFWSA-N 0 0 306.366 0.869 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCCNC(=O)[C@@H]1C)C2 ZINC000188950231 545919750 /nfs/dbraw/zinc/91/97/50/545919750.db2.gz XZPLZKPYPCMDCJ-WCQYABFASA-N 0 0 318.373 0.983 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)ccn1C ZINC000192520436 545927858 /nfs/dbraw/zinc/92/78/58/545927858.db2.gz QHNYAXVGJRHILO-WCQYABFASA-N 0 0 313.423 0.781 10 0 DCAERN CCc1cc(NC(=O)Nc2ncn(CC(=O)N(C)C)n2)n[nH]1 ZINC000192272233 545928443 /nfs/dbraw/zinc/92/84/43/545928443.db2.gz CFGRPOXZUALNLL-UHFFFAOYSA-N 0 0 306.330 0.296 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000193355231 545931499 /nfs/dbraw/zinc/93/14/99/545931499.db2.gz LWFMPGOBHGYTSD-GAJTVXKRSA-N 0 0 322.336 0.921 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1coc(C2CCC2)n1 ZINC000195415601 545934121 /nfs/dbraw/zinc/93/41/21/545934121.db2.gz XLYCZVOPPSRXCD-GFCCVEGCSA-N 0 0 309.366 0.365 10 0 DCAERN Cc1noc(CCNS(=O)(=O)c2ccc(N)cc2F)n1 ZINC000231875391 545948815 /nfs/dbraw/zinc/94/88/15/545948815.db2.gz SAOIWQDVXGTDPN-UHFFFAOYSA-N 0 0 300.315 0.620 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC[C@@H]1C ZINC000249126471 545970944 /nfs/dbraw/zinc/97/09/44/545970944.db2.gz CJPPCNGFLNWRRV-YNEHKIRRSA-N 0 0 318.439 0.684 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C)n(C)n2)C1 ZINC000330229209 546057037 /nfs/dbraw/zinc/05/70/37/546057037.db2.gz VSHWUOQYYLLMHW-MNOVXSKESA-N 0 0 320.353 1.414 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000332730613 546057965 /nfs/dbraw/zinc/05/79/65/546057965.db2.gz YZOJXJAWDVXBHR-NXEZZACHSA-N 0 0 306.370 0.469 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000332885881 546065288 /nfs/dbraw/zinc/06/52/88/546065288.db2.gz GQPZZTUAWNURNF-UONOGXRCSA-N 0 0 307.398 0.388 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)c1ccc2c(n1)CCCC2 ZINC000333064529 546070803 /nfs/dbraw/zinc/07/08/03/546070803.db2.gz JEPLGBISBIPVQH-UHFFFAOYSA-N 0 0 301.346 0.839 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333118825 546071794 /nfs/dbraw/zinc/07/17/94/546071794.db2.gz GGEUJBINXXNMHY-YVECIDJPSA-N 0 0 300.424 0.963 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333118823 546071878 /nfs/dbraw/zinc/07/18/78/546071878.db2.gz GGEUJBINXXNMHY-XQHKEYJVSA-N 0 0 300.424 0.963 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@@H]1CCCC[C@H]1CO)CCCC2 ZINC000333536118 546083959 /nfs/dbraw/zinc/08/39/59/546083959.db2.gz KBFKGRVJZXQFFP-NWDGAFQWSA-N 0 0 307.394 0.804 10 0 DCAERN C[C@@]12CN(C(=O)NCCN3CCNC(=O)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333598077 546086828 /nfs/dbraw/zinc/08/68/28/546086828.db2.gz MDAANXPTCMIYKI-OEUWWYETSA-N 0 0 320.437 0.496 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000359086668 546196757 /nfs/dbraw/zinc/19/67/57/546196757.db2.gz LSPIIOBXCNAJKY-CQSZACIVSA-N 0 0 304.346 0.571 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593659264 546306072 /nfs/dbraw/zinc/30/60/72/546306072.db2.gz KCDMRLDHFRREOG-ZKTNFTSUSA-N 0 0 313.400 0.783 10 0 DCAERN CCc1c(C(=O)N2C[C@@H](OC)[C@H](c3cn[nH]n3)C2)ccn1C ZINC000622165672 546322479 /nfs/dbraw/zinc/32/24/79/546322479.db2.gz NGWJZXQVWSNGTJ-SMDDNHRTSA-N 0 0 303.366 0.960 10 0 DCAERN COC[C@H](O)c1cnnn1CCN1C(=O)c2ccccc2C1=O ZINC000675079343 547659198 /nfs/dbraw/zinc/65/91/98/547659198.db2.gz CSAFQACVSQRPQS-ZDUSSCGKSA-N 0 0 316.317 0.254 10 0 DCAERN CN1C2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)CS1(=O)=O ZINC000725256607 548749408 /nfs/dbraw/zinc/74/94/08/548749408.db2.gz XSKMYIZVIRAXDQ-UHFFFAOYSA-N 0 0 318.395 0.600 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccc(F)cc2)CCC1 ZINC000721523016 657558982 /nfs/dbraw/zinc/55/89/82/657558982.db2.gz RXAKLKGRYWAMGR-UHFFFAOYSA-N 0 0 300.355 0.696 10 0 DCAERN Cn1cc(/C=C\C(=O)OCc2ccsc2)c(=O)n(C)c1=O ZINC000255171874 657961203 /nfs/dbraw/zinc/96/12/03/657961203.db2.gz NLRAAHLCQLXZNQ-ARJAWSKDSA-N 0 0 306.343 0.902 10 0 DCAERN COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160427193 658000915 /nfs/dbraw/zinc/00/09/15/658000915.db2.gz CQWLYTDUHRKXBO-LBPRGKRZSA-N 0 0 324.356 0.386 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccc(Cl)cc1 ZINC000725026049 658029185 /nfs/dbraw/zinc/02/91/85/658029185.db2.gz YVROYURNNQXTHL-GFCCVEGCSA-N 0 0 316.810 0.733 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)OC[C@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000247310018 658281977 /nfs/dbraw/zinc/28/19/77/658281977.db2.gz VWAWUAOIPMNRII-WHOFXGATSA-N 0 0 321.377 0.909 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@@]2(C)CCCO2)c(=O)n(C)c1=O ZINC000255029207 658309522 /nfs/dbraw/zinc/30/95/22/658309522.db2.gz RVSABJMXUZRUMW-IYKSTZQJSA-N 0 0 308.334 0.210 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCC([C@H](C)O)CC2)cn1 ZINC000156795996 658390166 /nfs/dbraw/zinc/39/01/66/658390166.db2.gz DNDXJPPHFXZBRZ-NSHDSACASA-N 0 0 308.382 0.851 10 0 DCAERN NC(=O)[C@H]1CCN1c1ccc(N)cc1I ZINC000757152665 658609089 /nfs/dbraw/zinc/60/90/89/658609089.db2.gz RNGXAKVEAZXNRC-SECBINFHSA-N 0 0 317.130 0.937 10 0 DCAERN Cn1ncc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])c1I ZINC000757192769 658657054 /nfs/dbraw/zinc/65/70/54/658657054.db2.gz NSQXLLSTPAVVJW-IYSWYEEDSA-N 0 0 321.118 0.412 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1csc(C(=O)OC)n1 ZINC000721427290 658687450 /nfs/dbraw/zinc/68/74/50/658687450.db2.gz NWGKJIJBSMGNSP-QMMMGPOBSA-N 0 0 302.352 0.711 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247212944 658714426 /nfs/dbraw/zinc/71/44/26/658714426.db2.gz PYQKJXUATBQLIT-KGLIPLIRSA-N 0 0 306.472 0.588 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(CC(=O)NC2CCCC2)C1 ZINC000888077146 658716787 /nfs/dbraw/zinc/71/67/87/658716787.db2.gz NHQBXQBSMIYGRQ-INIZCTEOSA-N 0 0 321.425 0.243 10 0 DCAERN Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888077004 658717262 /nfs/dbraw/zinc/71/72/62/658717262.db2.gz CFLFNFBLXMYVTK-GZBFAFLISA-N 0 0 304.350 0.911 10 0 DCAERN Cc1nc(C)c(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000313163547 659073001 /nfs/dbraw/zinc/07/30/01/659073001.db2.gz IFVCSOISAYQZGA-SNVBAGLBSA-N 0 0 317.436 0.153 10 0 DCAERN Cc1cnn(C[C@H]2CN(CCS(=O)(=O)C(C)C)CCO2)c1 ZINC000178223907 659147324 /nfs/dbraw/zinc/14/73/24/659147324.db2.gz DCICHCZWQYAGFP-CQSZACIVSA-N 0 0 315.439 0.716 10 0 DCAERN COCC[C@H](COC)NS(=O)(=O)c1ncn(C)c1Cl ZINC000311833086 659374673 /nfs/dbraw/zinc/37/46/73/659374673.db2.gz PKUKFUBZOKYAJG-MRVPVSSYSA-N 0 0 311.791 0.403 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cccnc2Cl)C1 ZINC000311863737 659381314 /nfs/dbraw/zinc/38/13/14/659381314.db2.gz VOONPEWAMQUXKH-IUCAKERBSA-N 0 0 306.771 0.505 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCCCO ZINC000182233671 659389637 /nfs/dbraw/zinc/38/96/37/659389637.db2.gz WSLDAXLJILMFIR-CYBMUJFWSA-N 0 0 320.455 0.860 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc(C)nc2Cl)CC1=O ZINC000193996867 659472613 /nfs/dbraw/zinc/47/26/13/659472613.db2.gz XTSUMRUWQALEIW-UHFFFAOYSA-N 0 0 303.771 0.854 10 0 DCAERN CN(Cc1ccc(Cl)nc1)C(=O)CCNS(C)(=O)=O ZINC000194540396 659650155 /nfs/dbraw/zinc/65/01/55/659650155.db2.gz KJHBAWBUNLELPW-UHFFFAOYSA-N 0 0 305.787 0.633 10 0 DCAERN O=C(CCC(=O)N1CCCC1)NCCc1nnc2ccccn21 ZINC000222421574 661612256 /nfs/dbraw/zinc/61/22/56/661612256.db2.gz INOKGXYSJNJNSX-UHFFFAOYSA-N 0 0 315.377 0.791 10 0 DCAERN CCC(=O)N1CCC[C@H](c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000222504276 661616509 /nfs/dbraw/zinc/61/65/09/661616509.db2.gz JUGUVCASJXASOM-VIFPVBQESA-N 0 0 319.365 0.076 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)C2(C(F)(F)F)CC2)CC1 ZINC000726226864 661653441 /nfs/dbraw/zinc/65/34/41/661653441.db2.gz XCSDIPFUBBWPKG-UHFFFAOYSA-N 0 0 322.283 0.563 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCC[C@H](C2OCCO2)C1 ZINC000726371202 661657477 /nfs/dbraw/zinc/65/74/77/661657477.db2.gz BGMJDHXWSDVLPH-NSHDSACASA-N 0 0 302.334 0.954 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000726916602 661963409 /nfs/dbraw/zinc/96/34/09/661963409.db2.gz SRAVZRXMQQLKCS-NWDGAFQWSA-N 0 0 314.407 0.662 10 0 DCAERN COCCOCCOCCn1cncc(Br)c1=O ZINC000126802602 662066050 /nfs/dbraw/zinc/06/60/50/662066050.db2.gz QBMFUPDZQXUSIF-UHFFFAOYSA-N 0 0 321.171 0.685 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNc1ncnc2ccsc21 ZINC000721810816 662102947 /nfs/dbraw/zinc/10/29/47/662102947.db2.gz BYEWDMLLXDQVFQ-SECBINFHSA-N 0 0 312.420 0.880 10 0 DCAERN COCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000211814147 662163948 /nfs/dbraw/zinc/16/39/48/662163948.db2.gz IIFMRTDPUMXZMA-GHXNOFRVSA-N 0 0 324.402 0.778 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263086874 662627090 /nfs/dbraw/zinc/62/70/90/662627090.db2.gz YBJWEQZEBPTAQK-QWRGUYRKSA-N 0 0 311.336 0.559 10 0 DCAERN CC(=O)N1C[C@H](C(=O)OC[C@H]2COCCO2)Oc2ccccc21 ZINC000729105341 662634324 /nfs/dbraw/zinc/63/43/24/662634324.db2.gz GFWBCVOXAFGRPL-IUODEOHRSA-N 0 0 321.329 0.759 10 0 DCAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccn2nnnc12 ZINC000897473048 662769885 /nfs/dbraw/zinc/76/98/85/662769885.db2.gz QJUWFBQDLXRKHP-LLVKDONJSA-N 0 0 311.349 0.655 10 0 DCAERN CCc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nncn2C)no1 ZINC000897705973 662921425 /nfs/dbraw/zinc/92/14/25/662921425.db2.gz QLOLUUYEEZHPST-PWSUYJOCSA-N 0 0 305.338 0.968 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN(c3nc[nH]n3)CC2)CC1 ZINC000898323564 662946947 /nfs/dbraw/zinc/94/69/47/662946947.db2.gz NLOPYVUSSQHRKR-UHFFFAOYSA-N 0 0 321.381 0.433 10 0 DCAERN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@@]2(OC)CCOC2)C1 ZINC000898546076 663095114 /nfs/dbraw/zinc/09/51/14/663095114.db2.gz GNGDFXGPJZYFIO-MISXGVKJSA-N 0 0 303.330 0.542 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000346509356 663202375 /nfs/dbraw/zinc/20/23/75/663202375.db2.gz OLGFPUNSPFMVMM-UWVGGRQHSA-N 0 0 300.380 0.436 10 0 DCAERN Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H]3OCCN(C)C3=O)C2)n1 ZINC000900605836 663260340 /nfs/dbraw/zinc/26/03/40/663260340.db2.gz ZHYJNMSTEVWCAS-UONOGXRCSA-N 0 0 320.393 0.521 10 0 DCAERN CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000900833567 663285810 /nfs/dbraw/zinc/28/58/10/663285810.db2.gz RNIFQGMFCRMCRY-AMVTZNPPSA-N 0 0 320.393 0.749 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CCCn3ncnc32)C1=O ZINC000900980955 663298777 /nfs/dbraw/zinc/29/87/77/663298777.db2.gz LCLXBGHYGCIGKX-NSHDSACASA-N 0 0 317.349 0.325 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000436096734 663415808 /nfs/dbraw/zinc/41/58/08/663415808.db2.gz GYSMHYVMFFBWRW-UHFFFAOYSA-N 0 0 317.349 0.197 10 0 DCAERN COC[C@](C)(CC(=O)OC)NC(=O)c1ccnc2[nH]c(C)nc21 ZINC000436210900 663437422 /nfs/dbraw/zinc/43/74/22/663437422.db2.gz PECPTNNMFLIBRP-HNNXBMFYSA-N 0 0 320.349 0.964 10 0 DCAERN O=S(=O)(Cc1ccc(Cl)nc1)NCCCn1ccnn1 ZINC000183159020 665991110 /nfs/dbraw/zinc/99/11/10/665991110.db2.gz IOJRVVKSEKIBMA-UHFFFAOYSA-N 0 0 315.786 0.836 10 0 DCAERN CCc1nc[nH]c1C(=O)N1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000908092016 663731829 /nfs/dbraw/zinc/73/18/29/663731829.db2.gz IMOWGFRHJLHQNM-HNNXBMFYSA-N 0 0 318.381 0.878 10 0 DCAERN C[C@](O)(CC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1ccccc1 ZINC000909176423 663783912 /nfs/dbraw/zinc/78/39/12/663783912.db2.gz ZABWGGSHZBFOAE-JHNDHUHGSA-N 0 0 315.373 0.971 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909171370 663785603 /nfs/dbraw/zinc/78/56/03/663785603.db2.gz MNUVZWAKFSRNPJ-AHLTXXRQSA-N 0 0 302.334 0.536 10 0 DCAERN Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCOC[C@H]1CO ZINC000912429557 664171936 /nfs/dbraw/zinc/17/19/36/664171936.db2.gz ACMHTEYOCLYXOQ-WDEREUQCSA-N 0 0 312.391 0.789 10 0 DCAERN COC(CNC(=O)[C@@H]1CN(C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221553 664291724 /nfs/dbraw/zinc/29/17/24/664291724.db2.gz UQIXZDGTTNAEOO-ZFWWWQNUSA-N 0 0 322.405 0.968 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccnc1Cl ZINC000163731780 664357193 /nfs/dbraw/zinc/35/71/93/664357193.db2.gz OQDUGARWXWWFDJ-BDAKNGLRSA-N 0 0 324.768 0.786 10 0 DCAERN O=C(c1cnc(-n2cnnc2)c(Cl)c1)N1CCC(O)CC1 ZINC000223064790 664399245 /nfs/dbraw/zinc/39/92/45/664399245.db2.gz RRQMQYNAFDNHJE-UHFFFAOYSA-N 0 0 307.741 0.913 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000157093101 664412858 /nfs/dbraw/zinc/41/28/58/664412858.db2.gz QBVPMESEUXFYOU-OIBJUYFYSA-N 0 0 302.327 0.380 10 0 DCAERN Clc1nc2nc[nH]c2c(N2CC[C@H](N3CCOCC3)C2)n1 ZINC000165488813 664417301 /nfs/dbraw/zinc/41/73/01/664417301.db2.gz BJRWTLSYJZQSBJ-VIFPVBQESA-N 0 0 308.773 0.917 10 0 DCAERN CCOCc1nc(Cl)cc(NCCNS(C)(=O)=O)n1 ZINC000129752726 664489749 /nfs/dbraw/zinc/48/97/49/664489749.db2.gz OAIHHAUKFVXPQN-UHFFFAOYSA-N 0 0 308.791 0.628 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000440874237 664562144 /nfs/dbraw/zinc/56/21/44/664562144.db2.gz WARQMTURDMIXFW-MVWJERBFSA-N 0 0 302.396 0.218 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228790668 664576832 /nfs/dbraw/zinc/57/68/32/664576832.db2.gz ZGJYTIZXRAMEMD-UWVGGRQHSA-N 0 0 307.368 0.010 10 0 DCAERN CN1C(=O)OC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000062633769 664622037 /nfs/dbraw/zinc/62/20/37/664622037.db2.gz ONWZBKJZSNNMNT-SNVBAGLBSA-N 0 0 307.306 0.015 10 0 DCAERN CCOCc1nc(Cl)cc(NCCS(=O)(=O)N(C)C)n1 ZINC000231023662 664625594 /nfs/dbraw/zinc/62/55/94/664625594.db2.gz DBCVYAQTEBTEDW-UHFFFAOYSA-N 0 0 322.818 0.970 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000730308921 664682756 /nfs/dbraw/zinc/68/27/56/664682756.db2.gz GGFSNUUAKHDVSG-LLVKDONJSA-N 0 0 312.347 0.360 10 0 DCAERN CC(=O)N1CSC[C@@H]1c1nc(-c2cnc(C)nc2N)no1 ZINC000350824463 664709820 /nfs/dbraw/zinc/70/98/20/664709820.db2.gz QAUVKTWWZRAGTH-SECBINFHSA-N 0 0 306.351 0.841 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CN3CCOC3=S)CC2)n1 ZINC000152641526 664767413 /nfs/dbraw/zinc/76/74/13/664767413.db2.gz BBZSQULFMOXLSX-SNVBAGLBSA-N 0 0 311.411 0.631 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000731647011 664876087 /nfs/dbraw/zinc/87/60/87/664876087.db2.gz WDBFLFIQYYMLSK-UHFFFAOYSA-N 0 0 324.402 0.414 10 0 DCAERN Cc1cc(C)n(CC(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000732320525 664912682 /nfs/dbraw/zinc/91/26/82/664912682.db2.gz APUXFBICYUUWAA-ZDUSSCGKSA-N 0 0 317.349 0.582 10 0 DCAERN CC(=O)c1ccccc1OCCOC(=O)CN1CC(=O)NC1=O ZINC000732355230 664914683 /nfs/dbraw/zinc/91/46/83/664914683.db2.gz ICCSGWQGAUTJGK-UHFFFAOYSA-N 0 0 320.301 0.363 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000733175683 665078683 /nfs/dbraw/zinc/07/86/83/665078683.db2.gz INLALWYWCNMZCO-JTQLQIEISA-N 0 0 322.452 0.237 10 0 DCAERN COC(=O)CCCCCCNC(=O)c1cc(C(N)=O)cn1C ZINC000154117643 665081027 /nfs/dbraw/zinc/08/10/27/665081027.db2.gz LIBYRUHLLYRDQK-UHFFFAOYSA-N 0 0 309.366 0.977 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)NCCC1CCCC1 ZINC000174918797 665309159 /nfs/dbraw/zinc/30/91/59/665309159.db2.gz IRFRIGPFMLIYSS-UHFFFAOYSA-N 0 0 306.428 0.927 10 0 DCAERN O=C(NN1CCOCC1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175162566 665314415 /nfs/dbraw/zinc/31/44/15/665314415.db2.gz ZXUZRDQMMZEWRL-STQMWFEESA-N 0 0 304.346 0.925 10 0 DCAERN C[C@@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CCC1 ZINC000175212223 665316308 /nfs/dbraw/zinc/31/63/08/665316308.db2.gz RQQJDABHWOQUHD-MRVPVSSYSA-N 0 0 320.349 0.614 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)c1ccccc1F ZINC000175542862 665328883 /nfs/dbraw/zinc/32/88/83/665328883.db2.gz LUVCLMIYMBXBOZ-CHWSQXEVSA-N 0 0 312.366 0.897 10 0 DCAERN COc1cc(N2CCN(CC[C@H]3CCOC3=O)CC2)ncn1 ZINC000184075268 666182880 /nfs/dbraw/zinc/18/28/80/666182880.db2.gz SIPMNQAQJDCNDU-LBPRGKRZSA-N 0 0 306.366 0.560 10 0 DCAERN CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCC([C@@H](C)O)CC2)C1 ZINC000184874479 666297205 /nfs/dbraw/zinc/29/72/05/666297205.db2.gz MOUFQAKGYZATSS-WBMJQRKESA-N 0 0 312.410 0.838 10 0 DCAERN O=C(NC[C@@H](O)c1ccsc1)c1cc2c(=O)[nH]cnc2cn1 ZINC000186530905 666456709 /nfs/dbraw/zinc/45/67/09/666456709.db2.gz FEPQTSODNCQDPD-GFCCVEGCSA-N 0 0 316.342 0.843 10 0 DCAERN Cn1nccc1CCNC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000186723241 666584343 /nfs/dbraw/zinc/58/43/43/666584343.db2.gz WTNJSSUSYLBPJK-HNNXBMFYSA-N 0 0 302.378 0.865 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(F)c(F)nc(F)c1F ZINC000700320901 666713313 /nfs/dbraw/zinc/71/33/13/666713313.db2.gz WLZNUYMFVFKKDZ-WHFBIAKZSA-N 0 0 314.260 0.862 10 0 DCAERN O=C(c1cc(Br)cnc1F)N1CCNC(=O)CC1 ZINC000700900145 666779107 /nfs/dbraw/zinc/77/91/07/666779107.db2.gz XTZSQIOOFSTGAT-UHFFFAOYSA-N 0 0 316.130 0.945 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)NCC2CC2)C1 ZINC000701004470 666795527 /nfs/dbraw/zinc/79/55/27/666795527.db2.gz SXSPRRBBZYAEQZ-RYUDHWBXSA-N 0 0 313.398 0.923 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000733877849 666823301 /nfs/dbraw/zinc/82/33/01/666823301.db2.gz CIQCZQSBHARQAG-NRFANRHFSA-N 0 0 307.375 0.281 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000733961439 666832351 /nfs/dbraw/zinc/83/23/51/666832351.db2.gz UMZYZEMOOOVVHK-LHSJRXKWSA-N 0 0 308.403 0.849 10 0 DCAERN CC[S@](=O)CCNC(=O)c1[nH]nc(C)c1Br ZINC000733959739 666832361 /nfs/dbraw/zinc/83/23/61/666832361.db2.gz DIPAMPPASRRAJO-INIZCTEOSA-N 0 0 308.201 0.979 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000733962772 666832680 /nfs/dbraw/zinc/83/26/80/666832680.db2.gz NLUVCFCHBDGYID-RKFFSXRUSA-N 0 0 324.402 0.685 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)OCCc2cn[nH]n2)c1 ZINC000734767466 666904674 /nfs/dbraw/zinc/90/46/74/666904674.db2.gz DFYHUVKXVZSFGK-UHFFFAOYSA-N 0 0 310.335 0.112 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000735090356 666949660 /nfs/dbraw/zinc/94/96/60/666949660.db2.gz PSVSFVPURYTUAI-ASSNKEHSSA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000735097931 666951611 /nfs/dbraw/zinc/95/16/11/666951611.db2.gz WQLJUCHUNLBJQU-AMXDTQDGSA-N 0 0 323.418 0.860 10 0 DCAERN C[S@@](=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000735103279 666952641 /nfs/dbraw/zinc/95/26/41/666952641.db2.gz IUPOCZUDYJOTDW-LAJNKCICSA-N 0 0 309.391 0.470 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC(NC(=O)C(C)C)CC1 ZINC000735111687 666954543 /nfs/dbraw/zinc/95/45/43/666954543.db2.gz RZWOUXRQVVTHPA-OAQYLSRUSA-N 0 0 317.455 0.701 10 0 DCAERN CC[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000702400914 666954667 /nfs/dbraw/zinc/95/46/67/666954667.db2.gz JVJHLAOLMNUJLS-UONOGXRCSA-N 0 0 307.394 0.673 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000735110766 666954780 /nfs/dbraw/zinc/95/47/80/666954780.db2.gz LDVCAHKMUACSDZ-LXGOIASLSA-N 0 0 315.361 0.691 10 0 DCAERN CCOC(=O)C1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000735110949 666954856 /nfs/dbraw/zinc/95/48/56/666954856.db2.gz OVFDKYUTMWTSSS-FQEVSTJZSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(c2ncccn2)CC1 ZINC000735114520 666955626 /nfs/dbraw/zinc/95/56/26/666955626.db2.gz YHDWAZJWIRFMEE-NRFANRHFSA-N 0 0 311.411 0.077 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000735197242 666965573 /nfs/dbraw/zinc/96/55/73/666965573.db2.gz CNEACMRQYADABD-NRFANRHFSA-N 0 0 310.375 0.713 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C)cc1F ZINC000735199159 666966364 /nfs/dbraw/zinc/96/63/64/666966364.db2.gz KRANCLHGPOVNEN-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CN(Cc1cnccn1)C(=O)COCCNC(=O)OC(C)(C)C ZINC000735483211 666994820 /nfs/dbraw/zinc/99/48/20/666994820.db2.gz PIIYQADUHXQOQB-UHFFFAOYSA-N 0 0 324.381 0.976 10 0 DCAERN Cn1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702816099 666998791 /nfs/dbraw/zinc/99/87/91/666998791.db2.gz BONQYTJBPMGJTE-ZYHUDNBSSA-N 0 0 324.381 0.378 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccnc(F)c2F)C1 ZINC000703181625 667065043 /nfs/dbraw/zinc/06/50/43/667065043.db2.gz AYIRRXIVTFQDFV-SSDOTTSWSA-N 0 0 305.306 0.124 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cnn(-c2ccccc2)n1 ZINC000119014301 667066846 /nfs/dbraw/zinc/06/68/46/667066846.db2.gz JQBYQYKZWUTKEG-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cn1c2ccccc2n(C)c1=O ZINC000736287561 667137631 /nfs/dbraw/zinc/13/76/31/667137631.db2.gz JDHNGKBAZRHRTI-RYUDHWBXSA-N 0 0 323.418 0.805 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1ccc(Br)nc1 ZINC000703971498 667163830 /nfs/dbraw/zinc/16/38/30/667163830.db2.gz RBMRNDAEVXQUTE-SNVBAGLBSA-N 0 0 314.183 0.905 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ncsc1Br ZINC000706709630 667326260 /nfs/dbraw/zinc/32/62/60/667326260.db2.gz OPXSUMKQUSBNCP-RITPCOANSA-N 0 0 307.169 0.785 10 0 DCAERN Cc1nc(C(=O)NC[C@H](O)c2cccc(F)c2)c(=O)[nH]c1C ZINC000120575277 667327709 /nfs/dbraw/zinc/32/77/09/667327709.db2.gz VCWPRTYEURJBQF-LBPRGKRZSA-N 0 0 305.309 0.989 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)c1c(Br)cnn1C ZINC000710595054 667447076 /nfs/dbraw/zinc/44/70/76/667447076.db2.gz SOUWIRXTYOGKGD-ZCFIWIBFSA-N 0 0 306.160 0.920 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000134703277 667551401 /nfs/dbraw/zinc/55/14/01/667551401.db2.gz LGNJLVLTJQPLTR-SNVBAGLBSA-N 0 0 319.814 0.734 10 0 DCAERN COC(=O)c1cn(CN2CCN(CC(F)(F)F)[C@@H](C)C2)nn1 ZINC000134822122 667554900 /nfs/dbraw/zinc/55/49/00/667554900.db2.gz GSBYYJXBKWDMMB-VIFPVBQESA-N 0 0 321.303 0.591 10 0 DCAERN C[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000737292427 667588262 /nfs/dbraw/zinc/58/82/62/667588262.db2.gz DTETWNRPAUNHIV-NRFANRHFSA-N 0 0 310.375 0.445 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000737719657 667631320 /nfs/dbraw/zinc/63/13/20/667631320.db2.gz ODPLHOBQHJMJEX-LLVKDONJSA-N 0 0 318.362 0.522 10 0 DCAERN Cc1ccc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)cc1F ZINC000886026673 667725500 /nfs/dbraw/zinc/72/55/00/667725500.db2.gz GBKRTZRAOCUXFY-QGZVFWFLSA-N 0 0 321.396 0.896 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cn(C)nn1 ZINC000886078287 667729452 /nfs/dbraw/zinc/72/94/52/667729452.db2.gz SYOHHYHETXYAIR-CMPLNLGQSA-N 0 0 324.772 0.306 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CC(F)(F)C(F)(F)C1 ZINC000886078472 667729695 /nfs/dbraw/zinc/72/96/95/667729695.db2.gz UQUPCGUPXDNZLU-MRVPVSSYSA-N 0 0 312.263 0.473 10 0 DCAERN CCn1ccnc1CNC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000886078461 667729700 /nfs/dbraw/zinc/72/97/00/667729700.db2.gz TZJDTORTZAJWSW-GFCCVEGCSA-N 0 0 308.382 0.547 10 0 DCAERN CCOc1cc(N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886094893 667731577 /nfs/dbraw/zinc/73/15/77/667731577.db2.gz GMAHDWYHUKNTMF-HNNXBMFYSA-N 0 0 322.365 0.241 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC(C2OCCO2)CC1 ZINC000741417572 667770254 /nfs/dbraw/zinc/77/02/54/667770254.db2.gz KSLCTULWUSHSGH-HXUWFJFHSA-N 0 0 304.412 0.550 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn2cccnc12 ZINC000887027513 667840022 /nfs/dbraw/zinc/84/00/22/667840022.db2.gz SUWHJHGLXGAMBM-VXGBXAGGSA-N 0 0 302.334 0.389 10 0 DCAERN O=C1CC[C@H]2CN(S(=O)(=O)c3ccns3)CC[C@@H]2N1 ZINC000717687096 667875946 /nfs/dbraw/zinc/87/59/46/667875946.db2.gz FQXCKHQZFNVOEW-IUCAKERBSA-N 0 0 301.393 0.432 10 0 DCAERN O=C(C[C@H](O)c1cccc(F)c1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000827796909 668139094 /nfs/dbraw/zinc/13/90/94/668139094.db2.gz NLXHFBKGCSFEQK-HOSILWTGSA-N 0 0 319.336 0.936 10 0 DCAERN COc1ccc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126439504 668582572 /nfs/dbraw/zinc/58/25/72/668582572.db2.gz XDUNJDLUJLNMPS-LBPRGKRZSA-N 0 0 312.391 0.088 10 0 DCAERN C[C@H](Cc1ccsc1)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126688747 668646055 /nfs/dbraw/zinc/64/60/55/668646055.db2.gz VBCJSALBLCRCMS-ZYHUDNBSSA-N 0 0 316.448 0.572 10 0 DCAERN C[C@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126731504 668651867 /nfs/dbraw/zinc/65/18/67/668651867.db2.gz TZWVSBICXJUHJU-AAEUAGOBSA-N 0 0 302.440 0.848 10 0 DCAERN CC1(C)CCC(NC(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126791140 668658380 /nfs/dbraw/zinc/65/83/80/668658380.db2.gz YUHIBRKSMOUXKK-LBPRGKRZSA-N 0 0 302.440 0.848 10 0 DCAERN CC[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000126801382 668663927 /nfs/dbraw/zinc/66/39/27/668663927.db2.gz QUIPYKQVCDNRIE-FRRDWIJNSA-N 0 0 302.440 0.848 10 0 DCAERN CC1(C)CCCC[C@@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126859841 668672158 /nfs/dbraw/zinc/67/21/58/668672158.db2.gz NMDWVYRMTJAYEO-RYUDHWBXSA-N 0 0 302.440 0.848 10 0 DCAERN C[C@H]1CN(C(=O)NCC[S@@](=O)C(C)(C)C)CCS1(=O)=O ZINC000126896620 668682410 /nfs/dbraw/zinc/68/24/10/668682410.db2.gz YMKRLBKYWKCKLI-OVWNDWIMSA-N 0 0 324.468 0.362 10 0 DCAERN CN(Cc1ccc(Cl)nc1)C(=O)CN(C)S(C)(=O)=O ZINC000127418675 668952085 /nfs/dbraw/zinc/95/20/85/668952085.db2.gz GUGBMGVAZOGBTI-UHFFFAOYSA-N 0 0 305.787 0.585 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)O1 ZINC000128121190 669144905 /nfs/dbraw/zinc/14/49/05/669144905.db2.gz JCORQSSGFFBWSJ-UFBFGSQYSA-N 0 0 318.333 0.478 10 0 DCAERN COC[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000131893932 669693054 /nfs/dbraw/zinc/69/30/54/669693054.db2.gz SMLYULLCPMYDKA-NSHDSACASA-N 0 0 306.322 0.098 10 0 DCAERN Cn1cnn(CN2CCC(NC(=O)CC3CCCC3)CC2)c1=O ZINC000132560527 669731062 /nfs/dbraw/zinc/73/10/62/669731062.db2.gz HKNSSIUVSLPESQ-UHFFFAOYSA-N 0 0 321.425 0.700 10 0 DCAERN CC(C)(C)n1cc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)cn1 ZINC000794114867 669791187 /nfs/dbraw/zinc/79/11/87/669791187.db2.gz HVLBFJWHXFGWNU-OAHLLOKOSA-N 0 0 318.381 0.880 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC000041449887 669823877 /nfs/dbraw/zinc/82/38/77/669823877.db2.gz OWXMSTUHIJTHOK-LBPRGKRZSA-N 0 0 303.318 0.252 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC000041449890 669823912 /nfs/dbraw/zinc/82/39/12/669823912.db2.gz OWXMSTUHIJTHOK-GFCCVEGCSA-N 0 0 303.318 0.252 10 0 DCAERN COC(=O)c1cn(CN2CCN(Cc3ccccc3)CC2)nn1 ZINC000042080980 669826098 /nfs/dbraw/zinc/82/60/98/669826098.db2.gz QOXXGHULTZVDMB-UHFFFAOYSA-N 0 0 315.377 0.840 10 0 DCAERN COCCn1ccc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000190804889 669928838 /nfs/dbraw/zinc/92/88/38/669928838.db2.gz XKDMHODUQRMERA-LLVKDONJSA-N 0 0 307.350 0.697 10 0 DCAERN CSC(C)(C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000075362491 670003659 /nfs/dbraw/zinc/00/36/59/670003659.db2.gz QYSMPNFERRESIT-UHFFFAOYSA-N 0 0 321.402 0.948 10 0 DCAERN O=c1n2ccccc2nn1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000191423401 670021221 /nfs/dbraw/zinc/02/12/21/670021221.db2.gz IXZWCILSNLZLLW-LLVKDONJSA-N 0 0 302.256 0.453 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](COC(=O)c2c[nH]c(C#N)c2)C1 ZINC000191416522 670021608 /nfs/dbraw/zinc/02/16/08/670021608.db2.gz LZHKZGLLNKFAJF-JTQLQIEISA-N 0 0 311.363 0.715 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C)c2nnnn2C2CC2)c1 ZINC000189060402 670081658 /nfs/dbraw/zinc/08/16/58/670081658.db2.gz PBLPGGDPZWRTHI-SNVBAGLBSA-N 0 0 304.358 0.573 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191825111 670112687 /nfs/dbraw/zinc/11/26/87/670112687.db2.gz XCNACMBJGBLNFA-CYBMUJFWSA-N 0 0 303.362 0.382 10 0 DCAERN COC[C@H](C)OC[C@@H](O)CN(C)CC(C)(C)S(C)(=O)=O ZINC000713967679 670172267 /nfs/dbraw/zinc/17/22/67/670172267.db2.gz VWLXEYYSJFCCBC-RYUDHWBXSA-N 0 0 311.444 0.154 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COc2ccc(F)cc2)CC1 ZINC000714034043 670174084 /nfs/dbraw/zinc/17/40/84/670174084.db2.gz JTGVKAVDTHRXPN-UHFFFAOYSA-N 0 0 302.327 0.142 10 0 DCAERN C[C@@H]1CN(Cc2cn(C)nc2Br)C[C@@H](CO)O1 ZINC000714076185 670175320 /nfs/dbraw/zinc/17/53/20/670175320.db2.gz BQQVWLSTXUYDKE-SCZZXKLOSA-N 0 0 304.188 0.764 10 0 DCAERN CCc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)s1 ZINC000714294719 670183475 /nfs/dbraw/zinc/18/34/75/670183475.db2.gz DQDJNLLBWFPSTF-UHFFFAOYSA-N 0 0 303.409 0.190 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(C)C ZINC000192546235 670183646 /nfs/dbraw/zinc/18/36/46/670183646.db2.gz WPKVOAZZJIMSQO-PWSUYJOCSA-N 0 0 320.397 0.450 10 0 DCAERN COC(=O)C1(O)CN(C(=O)Cc2sc(=S)[nH]c2C)C1 ZINC000714451230 670189059 /nfs/dbraw/zinc/18/90/59/670189059.db2.gz QZZPPOMWELXIDP-UHFFFAOYSA-N 0 0 302.377 0.029 10 0 DCAERN CC(C)Oc1cccnc1C(=O)N(C)CCS(C)(=O)=O ZINC000079541203 670191663 /nfs/dbraw/zinc/19/16/63/670191663.db2.gz KNCAKTVZZZCWSL-UHFFFAOYSA-N 0 0 300.380 0.985 10 0 DCAERN Cn1nc(C(=O)[O-])cc1C[NH2+][C@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000757179950 670358729 /nfs/dbraw/zinc/35/87/29/670358729.db2.gz PELWIBVWRQQVTJ-UWVGGRQHSA-N 0 0 310.354 0.874 10 0 DCAERN Cn1nc(C(=O)[O-])cc1C[NH2+][C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000757179952 670358769 /nfs/dbraw/zinc/35/87/69/670358769.db2.gz PELWIBVWRQQVTJ-VHSXEESVSA-N 0 0 310.354 0.874 10 0 DCAERN COc1cc(N2CCN(C(=O)C[C@H]3CCCOC3)CC2)ncn1 ZINC000193822922 670359613 /nfs/dbraw/zinc/35/96/13/670359613.db2.gz NVRJSFOKIYNWRU-CYBMUJFWSA-N 0 0 320.393 0.951 10 0 DCAERN CO[C@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CC[C@@H]1C ZINC000190188950 670390902 /nfs/dbraw/zinc/39/09/02/670390902.db2.gz JHBBXVPDHKXSSM-JSGCOSHPSA-N 0 0 303.366 0.743 10 0 DCAERN Cn1nc(Br)cc1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000190394110 670435607 /nfs/dbraw/zinc/43/56/07/670435607.db2.gz BSYRMVUKIALQAA-UHFFFAOYSA-N 0 0 324.138 0.929 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)c1ccccc1 ZINC000195427910 670491954 /nfs/dbraw/zinc/49/19/54/670491954.db2.gz ZDHSYQTUMXVZPX-GFCCVEGCSA-N 0 0 310.379 0.902 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)ccc1F ZINC000113196891 670691856 /nfs/dbraw/zinc/69/18/56/670691856.db2.gz QAEWVAGABGNVME-VIFPVBQESA-N 0 0 302.327 0.382 10 0 DCAERN Cc1nc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cs1 ZINC000116835446 671126140 /nfs/dbraw/zinc/12/61/40/671126140.db2.gz ZMMFEQWPIDUOIV-SECBINFHSA-N 0 0 303.409 0.144 10 0 DCAERN O=C1C(=O)N(CN2CCNC(=O)CC2)c2cccc(Cl)c21 ZINC000101535611 671771726 /nfs/dbraw/zinc/77/17/26/671771726.db2.gz VEGHPROTVRLCLQ-UHFFFAOYSA-N 0 0 307.737 0.649 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1c(Br)nnn1C ZINC000385645615 1158236126 /nfs/dbraw/zinc/23/61/26/1158236126.db2.gz DNQSFGPHTBXKQJ-HTQZYQBOSA-N 0 0 317.187 0.811 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000389251632 685257320 /nfs/dbraw/zinc/25/73/20/685257320.db2.gz DGRHTBIZVUCIKZ-SFHVURJKSA-N 0 0 301.393 0.309 10 0 DCAERN CO[C@]1(CNC(=O)c2cccc(Cl)n2)CCS(=O)(=O)C1 ZINC000720849484 685316507 /nfs/dbraw/zinc/31/65/07/685316507.db2.gz YBZYQROAHRGKRK-LBPRGKRZSA-N 0 0 318.782 0.669 10 0 DCAERN CO[C@@]1(CNC(=O)c2csc(Cl)n2)CCS(=O)(=O)C1 ZINC000720860655 685316522 /nfs/dbraw/zinc/31/65/22/685316522.db2.gz GGBSMXZAAQQOSO-SNVBAGLBSA-N 0 0 324.811 0.730 10 0 DCAERN O=S1(=O)CCNC[C@H]1Cc1nc([C@H]2CCCCS2)no1 ZINC000725016922 685319751 /nfs/dbraw/zinc/31/97/51/685319751.db2.gz RQYNKELHDLDLRQ-NXEZZACHSA-N 0 0 317.436 0.957 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1cccc(OC(F)(F)F)c1 ZINC000722503731 685320056 /nfs/dbraw/zinc/32/00/56/685320056.db2.gz YRPVBGFTIFUXBF-SSDOTTSWSA-N 0 0 312.269 0.767 10 0 DCAERN C=CCNC(=O)[C@H](C)OC(=O)CN(C)c1ccc(Cl)nn1 ZINC000051140479 685059576 /nfs/dbraw/zinc/05/95/76/685059576.db2.gz RNFDJQCJDWRFKI-VIFPVBQESA-N 0 0 312.757 0.800 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)OCC(=O)N1CCCCCC1 ZINC000088809494 685093491 /nfs/dbraw/zinc/09/34/91/685093491.db2.gz NGINPFZHGVMTHK-UHFFFAOYSA-N 0 0 307.350 0.683 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)OC[C@@H]3CCC(=O)N3)cnc12 ZINC000091090042 685103436 /nfs/dbraw/zinc/10/34/36/685103436.db2.gz OBAMRAICHAIROH-JTQLQIEISA-N 0 0 301.302 0.438 10 0 DCAERN CN(C)C(=O)C1CCN(CN2c3ccccc3C(=O)C2=O)CC1 ZINC000120059678 685117642 /nfs/dbraw/zinc/11/76/42/685117642.db2.gz UWKHQRYDTDRJBO-UHFFFAOYSA-N 0 0 315.373 0.974 10 0 DCAERN COC(=O)c1cn(CN2CCn3c(C(C)C)nnc3[C@H]2C)nn1 ZINC000190227579 685152954 /nfs/dbraw/zinc/15/29/54/685152954.db2.gz KOCCZICPYCUHKK-SNVBAGLBSA-N 0 0 319.369 0.814 10 0 DCAERN CCN(CCS(C)(=O)=O)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245530955 685157461 /nfs/dbraw/zinc/15/74/61/685157461.db2.gz GTWUAIIPBSJLCU-LLVKDONJSA-N 0 0 312.457 0.330 10 0 DCAERN Cn1cc([C@@H]2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966120 685168205 /nfs/dbraw/zinc/16/82/05/685168205.db2.gz JZABDWKBWCVVSD-BZNIZROVSA-N 0 0 317.393 0.887 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247043407 685169280 /nfs/dbraw/zinc/16/92/80/685169280.db2.gz QANOGSPZQPVWDQ-UTUOFQBUSA-N 0 0 304.412 0.294 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247212949 685170349 /nfs/dbraw/zinc/17/03/49/685170349.db2.gz PYQKJXUATBQLIT-UONOGXRCSA-N 0 0 306.472 0.588 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)OC[C@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000247310008 685171213 /nfs/dbraw/zinc/17/12/13/685171213.db2.gz VWAWUAOIPMNRII-CORIIIEPSA-N 0 0 321.377 0.909 10 0 DCAERN CC[C@H](c1ccccc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000248373173 685174065 /nfs/dbraw/zinc/17/40/65/685174065.db2.gz GZZVFHXNEVBSNN-UPJWGTAASA-N 0 0 318.416 0.710 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCO[C@@]3(CCOC3)C2)C1=O ZINC000248918139 685177615 /nfs/dbraw/zinc/17/76/15/685177615.db2.gz DOJQRIUDJHUGPZ-CVEARBPZSA-N 0 0 310.394 0.856 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000249388242 685179492 /nfs/dbraw/zinc/17/94/92/685179492.db2.gz RLNVJKITZKMBKX-CABCVRRESA-N 0 0 321.425 0.812 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000249502003 685181055 /nfs/dbraw/zinc/18/10/55/685181055.db2.gz JCJOTYLYSJZRKK-DOMZBBRYSA-N 0 0 308.378 0.254 10 0 DCAERN C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000252207259 685186195 /nfs/dbraw/zinc/18/61/95/685186195.db2.gz VJRCXIVSMJBFHQ-UPJWGTAASA-N 0 0 302.440 0.706 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774533 685185676 /nfs/dbraw/zinc/18/56/76/685185676.db2.gz MOXLEWXTNLGGSQ-MNOVXSKESA-N 0 0 311.411 0.306 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]2C ZINC000364150219 685221887 /nfs/dbraw/zinc/22/18/87/685221887.db2.gz XXZBICWBHIWCJX-MNOVXSKESA-N 0 0 305.382 0.783 10 0 DCAERN O=C(c1cncc(Br)c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388045458 1159033713 /nfs/dbraw/zinc/03/37/13/1159033713.db2.gz SXUAQGSRSCGJBC-DTORHVGOSA-N 0 0 324.134 0.189 10 0 DCAERN Cn1nnnc1CNC(=O)c1cc(Br)ccc1N ZINC000389376914 1157474433 /nfs/dbraw/zinc/47/44/33/1157474433.db2.gz OLGOZKZZVIAEBP-UHFFFAOYSA-N 0 0 311.143 0.485 10 0 DCAERN O=C(c1cccnc1Br)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396930544 1157940477 /nfs/dbraw/zinc/94/04/77/1157940477.db2.gz OTXIEEZDLBMQHY-SCZZXKLOSA-N 0 0 315.167 0.659 10 0 DCAERN CCOc1n[nH]c(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000228789940 1158068843 /nfs/dbraw/zinc/06/88/43/1158068843.db2.gz ZZQXWOFVESOBQH-UHFFFAOYSA-N 0 0 310.335 0.859 10 0 DCAERN CCS(=O)(=O)C1CN(C(=O)Cn2nnc3ccccc32)C1 ZINC000585349740 1158110872 /nfs/dbraw/zinc/11/08/72/1158110872.db2.gz MNXVKXLFKUEXJB-UHFFFAOYSA-N 0 0 308.363 0.077 10 0 DCAERN C[C@@H](CCCCO)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000398428899 1158118697 /nfs/dbraw/zinc/11/86/97/1158118697.db2.gz NBCMIWFFJLCWGU-JTQLQIEISA-N 0 0 313.441 0.034 10 0 DCAERN NC(=O)CCNC(=O)c1cc(F)c(Br)cc1N ZINC000383215324 1158137061 /nfs/dbraw/zinc/13/70/61/1158137061.db2.gz YHNCWCYSFWBPCC-UHFFFAOYSA-N 0 0 304.119 0.776 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1S(N)(=O)=O ZINC000385166184 1158221010 /nfs/dbraw/zinc/22/10/10/1158221010.db2.gz OGRCLQHVFTYJDR-BKPPORCPSA-N 0 0 302.352 0.531 10 0 DCAERN CC(=O)N1CCC(NC(=O)[C@H](C)NC(=O)c2cccs2)CC1 ZINC000032869749 1171426160 /nfs/dbraw/zinc/42/61/60/1171426160.db2.gz MKDMPIBSDZDRDK-JTQLQIEISA-N 0 0 323.418 0.994 10 0 DCAERN COCCOCCNC(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000042780378 1171533298 /nfs/dbraw/zinc/53/32/98/1171533298.db2.gz QFUCOVNZSUXPCV-UHFFFAOYSA-N 0 0 320.345 0.882 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN(C)C(=O)c2ccsc2)CC1 ZINC000053002194 1171794162 /nfs/dbraw/zinc/79/41/62/1171794162.db2.gz YKNYWYGEDYHTJR-UHFFFAOYSA-N 0 0 323.418 0.947 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)Cn1nnc2ccccc21 ZINC000066649818 1173762359 /nfs/dbraw/zinc/76/23/59/1173762359.db2.gz VAQPPEUYXKMYTC-GFCCVEGCSA-N 0 0 319.390 0.421 10 0 DCAERN CN1C[C@H](C(=O)NCc2ccnc(OCC3CC3)c2)CC1=O ZINC000067333791 1173772507 /nfs/dbraw/zinc/77/25/07/1173772507.db2.gz RYIWLQBQKDHJJE-CYBMUJFWSA-N 0 0 303.362 0.965 10 0 DCAERN CCOCCOC1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000070416848 1173815770 /nfs/dbraw/zinc/81/57/70/1173815770.db2.gz PYOQRWRTOCAYAZ-UHFFFAOYSA-N 0 0 303.384 0.616 10 0 DCAERN CCn1c2ccc(C(=O)N[C@@H]3CCC[C@H]3O)cc2[nH]c(=O)c1=O ZINC000132987092 1177527695 /nfs/dbraw/zinc/52/76/95/1177527695.db2.gz PNGNQTUSPFDMSY-ZWNOBZJWSA-N 0 0 317.345 0.353 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)sc1Cl ZINC000231809830 1180557972 /nfs/dbraw/zinc/55/79/72/1180557972.db2.gz PKTPIJLEBALMKP-LURJTMIESA-N 0 0 322.795 0.793 10 0 DCAERN NC(=O)NC1(C(=O)NCc2ccnc(OCC3CC3)c2)CC1 ZINC000163483856 1182607036 /nfs/dbraw/zinc/60/70/36/1182607036.db2.gz QRBDRIWRKFXLDY-UHFFFAOYSA-N 0 0 304.350 0.688 10 0 DCAERN COc1ccccc1OCC(=O)NCCNC(=O)[C@@H]1CCCO1 ZINC000169842442 1183609617 /nfs/dbraw/zinc/60/96/17/1183609617.db2.gz LTLHNEKXGHUMSM-AWEZNQCLSA-N 0 0 322.361 0.485 10 0 DCAERN COCCCS(=O)(=O)NC1(C(=O)NCC2CC2)CCCC1 ZINC000175068634 1184030059 /nfs/dbraw/zinc/03/00/59/1184030059.db2.gz DQUPAHLSWOYSET-UHFFFAOYSA-N 0 0 318.439 0.781 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccccc1F ZINC000175417230 1184092206 /nfs/dbraw/zinc/09/22/06/1184092206.db2.gz ODOMIFPPEGNYNG-LBPRGKRZSA-N 0 0 318.370 0.257 10 0 DCAERN CN1CCN(C(=O)Cn2nnc3ccccc32)C(C)(C)C1=O ZINC000176076249 1184124543 /nfs/dbraw/zinc/12/45/43/1184124543.db2.gz OOUARKNTOKWXTJ-UHFFFAOYSA-N 0 0 301.350 0.511 10 0 DCAERN Cc1noc([C@H](NC(=O)N2CCN(C)C(=O)[C@@H]2C)C(C)C)n1 ZINC000187087233 1187437402 /nfs/dbraw/zinc/43/74/02/1187437402.db2.gz WKAMIBVBDSPWIE-GXSJLCMTSA-N 0 0 309.370 0.947 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCC[C@@H]2CCOC2)cs1 ZINC000401264119 1190047223 /nfs/dbraw/zinc/04/72/23/1190047223.db2.gz PWCMIPFLYFEMKI-SECBINFHSA-N 0 0 318.420 0.942 10 0 DCAERN CC[C@@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307910109 1190385880 /nfs/dbraw/zinc/38/58/80/1190385880.db2.gz YPFXGOCIDXBQAE-CYBMUJFWSA-N 0 0 300.380 0.563 10 0 DCAERN C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)C(C)(C)O ZINC000307916783 1190386367 /nfs/dbraw/zinc/38/63/67/1190386367.db2.gz OPNNLLFISXVVRS-QMMMGPOBSA-N 0 0 300.380 0.562 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N[C@@H]1COC[C@H]1O ZINC000323183661 1190445550 /nfs/dbraw/zinc/44/55/50/1190445550.db2.gz FQMKVWUFOVAQGU-NXEZZACHSA-N 0 0 301.140 0.521 10 0 DCAERN C#CCN(CC#C)C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 ZINC000075400278 772188525 /nfs/dbraw/zinc/18/85/25/772188525.db2.gz NTWUTUKHQAYSTH-UHFFFAOYSA-N 0 0 316.382 0.531 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(Cc1ccccc1)OC ZINC000180803363 774020587 /nfs/dbraw/zinc/02/05/87/774020587.db2.gz UMZLDQBSEWMBEH-UHFFFAOYSA-N 0 0 300.380 0.858 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401818483 774067898 /nfs/dbraw/zinc/06/78/98/774067898.db2.gz IODKHZCVCQQDSR-SECBINFHSA-N 0 0 322.383 0.418 10 0 DCAERN CO[C@@H](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307897483 774140465 /nfs/dbraw/zinc/14/04/65/774140465.db2.gz BVVZGOPJRWLLCV-VIFPVBQESA-N 0 0 300.380 0.827 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCSCC2)c(N)c1 ZINC000307904709 774140419 /nfs/dbraw/zinc/14/04/19/774140419.db2.gz OCFZNPDMSDHIOR-UHFFFAOYSA-N 0 0 300.405 0.861 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@H](O)[C@H](CO)C1 ZINC000316616090 774970327 /nfs/dbraw/zinc/97/03/27/774970327.db2.gz AWJFKXJQCYCLTE-CBAPKCEASA-N 0 0 301.140 0.269 10 0 DCAERN COC(OC)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000709602030 939735256 /nfs/dbraw/zinc/73/52/56/939735256.db2.gz NOJRIFCHMNSWPG-QMMMGPOBSA-N 0 0 302.352 0.130 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000717296139 951414470 /nfs/dbraw/zinc/41/44/70/951414470.db2.gz ULUAVOYNUUKWDT-WKEGUHRASA-N 0 0 303.156 0.503 10 0 DCAERN CC(C)(C)[N@@H+]1CC[C@H](CNCCS(=O)(=O)CC(=O)[O-])C1 ZINC000693003114 968922043 /nfs/dbraw/zinc/92/20/43/968922043.db2.gz BZTXWFGKHHFMHD-LLVKDONJSA-N 0 0 306.428 0.196 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000079452661 185172525 /nfs/dbraw/zinc/17/25/25/185172525.db2.gz RPRXVZLCKBLBDN-UHFFFAOYSA-N 0 0 307.398 0.820 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000177301222 529411840 /nfs/dbraw/zinc/41/18/40/529411840.db2.gz VOOLJPJHOXGHHN-SUMWQHHRSA-N 0 0 321.421 0.716 10 0 DCAERN CCC(CC)CS(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366152209 282169253 /nfs/dbraw/zinc/16/92/53/282169253.db2.gz AFTIYMIRUCTTMH-ZDUSSCGKSA-N 0 0 317.411 0.426 10 0 DCAERN CC[C@@H]1[C@H](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185399814 529482227 /nfs/dbraw/zinc/48/22/27/529482227.db2.gz YQXDPUWVRAXYFN-ZYHUDNBSSA-N 0 0 303.366 0.777 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088694420 185262393 /nfs/dbraw/zinc/26/23/93/185262393.db2.gz IHFUZIOBQJGBPH-QWRGUYRKSA-N 0 0 314.411 0.345 10 0 DCAERN CN1C[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)CC1=O ZINC000089990575 185275391 /nfs/dbraw/zinc/27/53/91/185275391.db2.gz FLTIHAAHVWRCEU-LURJTMIESA-N 0 0 314.139 0.554 10 0 DCAERN CC(C)(C)OC(=O)N[C@H](CCCN(C(N)=[NH2+])[N+](=O)[O-])C(=O)[O-] ZINC000082040939 192353392 /nfs/dbraw/zinc/35/33/92/192353392.db2.gz JPDITUQYQUMTDT-SSDOTTSWSA-N 0 0 319.318 0.132 10 0 DCAERN Cc1cc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)ccc1F ZINC000092421357 185317188 /nfs/dbraw/zinc/31/71/88/185317188.db2.gz NTXPMWJHJJKLMJ-GFCCVEGCSA-N 0 0 320.324 0.870 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000286615030 219083841 /nfs/dbraw/zinc/08/38/41/219083841.db2.gz BIAGHTBHLOPCAX-KGLIPLIRSA-N 0 0 316.336 0.969 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181409746 199293166 /nfs/dbraw/zinc/29/31/66/199293166.db2.gz DMGHMPGIYMFNOT-LLVKDONJSA-N 0 0 322.413 0.540 10 0 DCAERN O=S(=O)(CCCc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000181431820 199296128 /nfs/dbraw/zinc/29/61/28/199296128.db2.gz RDXGSTWMVHDRRS-OLZOCXBDSA-N 0 0 318.416 0.192 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccoc3)C[C@@H]21 ZINC000299751716 529786372 /nfs/dbraw/zinc/78/63/72/529786372.db2.gz RJFLGIXAJLULIQ-QWHCGFSZSA-N 0 0 302.334 0.825 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)CCc2nnc[nH]2)C1 ZINC000328644113 529788328 /nfs/dbraw/zinc/78/83/28/529788328.db2.gz RSDOMXSJPNDCSR-ZDUSSCGKSA-N 0 0 307.398 0.307 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000172391844 529820300 /nfs/dbraw/zinc/82/03/00/529820300.db2.gz MQUGOPMLZZKDAI-JTQLQIEISA-N 0 0 322.331 0.497 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)NCCc1c(C)nn(C)c1C ZINC000178863324 529838524 /nfs/dbraw/zinc/83/85/24/529838524.db2.gz HOLZCEYBCVCGPW-UHFFFAOYSA-N 0 0 309.414 0.651 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286694678 219113301 /nfs/dbraw/zinc/11/33/01/219113301.db2.gz QXGUWPDUYJQKII-VIFPVBQESA-N 0 0 321.761 0.773 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCc1cn2ccccc2n1)C(C)C ZINC000178422979 529896884 /nfs/dbraw/zinc/89/68/84/529896884.db2.gz JRNVHWSQYOEYGW-AWEZNQCLSA-N 0 0 317.393 0.947 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(C)C ZINC000179078448 529895837 /nfs/dbraw/zinc/89/58/37/529895837.db2.gz ICMSKMOKGQGVNO-NSHDSACASA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000179127942 529920788 /nfs/dbraw/zinc/92/07/88/529920788.db2.gz QTCPNMYZHYRZMA-LLVKDONJSA-N 0 0 302.334 0.424 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)nc2c1cnn2C ZINC000175704654 529903361 /nfs/dbraw/zinc/90/33/61/529903361.db2.gz WZDZXIXBCUCKFR-LBPRGKRZSA-N 0 0 301.350 0.627 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000178742677 529943974 /nfs/dbraw/zinc/94/39/74/529943974.db2.gz BRYWIZGAAQQXTR-CQSZACIVSA-N 0 0 314.407 0.732 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C ZINC000407952573 290713550 /nfs/dbraw/zinc/71/35/50/290713550.db2.gz IKSRHDGMDSOCMK-WDEREUQCSA-N 0 0 310.398 0.258 10 0 DCAERN O=C(NCCN1CCOCC1)c1cnn(CCC(F)(F)F)c1 ZINC000181684792 199338097 /nfs/dbraw/zinc/33/80/97/199338097.db2.gz CEDWAXULPCEDJR-UHFFFAOYSA-N 0 0 320.315 0.898 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592782 545649654 /nfs/dbraw/zinc/64/96/54/545649654.db2.gz QJGDNMAAQRIQSK-IUCAKERBSA-N 0 0 315.370 0.682 10 0 DCAERN CCC1(CC)CN(C(=O)C2(NC(N)=O)CC2)CCS1(=O)=O ZINC000408379257 282356908 /nfs/dbraw/zinc/35/69/08/282356908.db2.gz ZBOYQAJXOKYFLZ-UHFFFAOYSA-N 0 0 317.411 0.003 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCS(=O)CC2)[C@H]1c1cccnc1 ZINC000155836220 530044812 /nfs/dbraw/zinc/04/48/12/530044812.db2.gz WWRNQYHVMIIMME-GXTWGEPZSA-N 0 0 321.402 0.192 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@@H](C)OC)CC[S@]1=O ZINC000195457190 282375580 /nfs/dbraw/zinc/37/55/80/282375580.db2.gz OMPRHYITIHFOSH-ZMZPIMSZSA-N 0 0 311.469 0.974 10 0 DCAERN C[C@@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccccn1 ZINC000181783300 199351376 /nfs/dbraw/zinc/35/13/76/199351376.db2.gz RVKHNYIDAIQMSH-NEPJUHHUSA-N 0 0 304.394 0.858 10 0 DCAERN CN(CC1(O)CCOCC1)C(=O)c1cnc(OCC2CC2)cn1 ZINC000286782514 219163880 /nfs/dbraw/zinc/16/38/80/219163880.db2.gz MPJZGEKTVQZLOD-UHFFFAOYSA-N 0 0 321.377 0.879 10 0 DCAERN O=C(c1ccc(F)cc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856859 192388070 /nfs/dbraw/zinc/38/80/70/192388070.db2.gz QQAIDCFYYUQEPA-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN COC(=O)C1(N(C)C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CCCC1 ZINC000408243612 290895616 /nfs/dbraw/zinc/89/56/16/290895616.db2.gz ISXIILBSFJNPAF-JHJVBQTASA-N 0 0 311.378 0.982 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)CN3CSCC3=O)C2)no1 ZINC000171245050 197905045 /nfs/dbraw/zinc/90/50/45/197905045.db2.gz LFQVZUDIQAOLPI-NSHDSACASA-N 0 0 324.406 0.692 10 0 DCAERN COc1cccc([C@@H]2CN(CCCS(N)(=O)=O)CCO2)c1 ZINC000177909810 186202746 /nfs/dbraw/zinc/20/27/46/186202746.db2.gz KEEBLXVGHZUDEE-AWEZNQCLSA-N 0 0 314.407 0.747 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000171401240 197931050 /nfs/dbraw/zinc/93/10/50/197931050.db2.gz IEGUBMGJXHMCHN-NEPJUHHUSA-N 0 0 300.318 0.693 10 0 DCAERN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171623175 197954766 /nfs/dbraw/zinc/95/47/66/197954766.db2.gz PARSUWRPEDXKPT-LBPRGKRZSA-N 0 0 315.333 0.501 10 0 DCAERN Cc1nc(C(=O)N2CC[C@H](c3cc(CCO)n(C)n3)C2)co1 ZINC000072364605 191132729 /nfs/dbraw/zinc/13/27/29/191132729.db2.gz FMMBZZJJCGESOQ-NSHDSACASA-N 0 0 304.350 0.881 10 0 DCAERN Cc1cnn(CCNC(=O)NCCN2CCOC(C)(C)C2)c1 ZINC000172284764 198070551 /nfs/dbraw/zinc/07/05/51/198070551.db2.gz FZKFCXYECYCIIV-UHFFFAOYSA-N 0 0 309.414 0.602 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N)nc(Cl)c2)CCS1(=O)=O ZINC000172371159 198087357 /nfs/dbraw/zinc/08/73/57/198087357.db2.gz VTYNHEUEALTYAH-ZETCQYMHSA-N 0 0 303.771 0.576 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)C1CCCCC1 ZINC000172403768 198092084 /nfs/dbraw/zinc/09/20/84/198092084.db2.gz XHIGJJSFKRJAQG-CQSZACIVSA-N 0 0 305.378 0.869 10 0 DCAERN C[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)C(=O)N(C)C ZINC000172356983 198084504 /nfs/dbraw/zinc/08/45/04/198084504.db2.gz GJPWBXMHXNWAOY-GFCCVEGCSA-N 0 0 307.398 0.781 10 0 DCAERN COC(=O)c1cc2c(nc1N)nc(N1CCCCC1)[nH]c2=O ZINC000072416878 191155033 /nfs/dbraw/zinc/15/50/33/191155033.db2.gz SFXUNAOSPUAPMM-UHFFFAOYSA-N 0 0 303.322 0.677 10 0 DCAERN COc1ccccc1Cn1cnc2c(nnc3ccnn32)c1=O ZINC000072449686 191170553 /nfs/dbraw/zinc/17/05/53/191170553.db2.gz OLFLZQCQDNPTMH-UHFFFAOYSA-N 0 0 308.301 0.891 10 0 DCAERN Cn1nnnc1SCC(=O)N1CCn2c3ccccc3nc21 ZINC000072466218 191174060 /nfs/dbraw/zinc/17/40/60/191174060.db2.gz GJWIKSPIZJTWHR-UHFFFAOYSA-N 0 0 315.362 0.699 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccsc1 ZINC000172719883 198141345 /nfs/dbraw/zinc/14/13/45/198141345.db2.gz KQUWUWMNXKERFC-HNNXBMFYSA-N 0 0 319.386 0.897 10 0 DCAERN CC(C)c1noc(CCC(=O)Nc2cn(C)c(=O)n(C)c2=O)n1 ZINC000173087139 198183508 /nfs/dbraw/zinc/18/35/08/198183508.db2.gz SASUIKQKVHHNCD-UHFFFAOYSA-N 0 0 321.337 0.162 10 0 DCAERN COCCOC[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000173158731 198190293 /nfs/dbraw/zinc/19/02/93/198190293.db2.gz MEMKOMFVWLXSFT-OLZOCXBDSA-N 0 0 324.377 0.909 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173391652 198209925 /nfs/dbraw/zinc/20/99/25/198209925.db2.gz NKYUPJWJCRIJHX-LBPRGKRZSA-N 0 0 307.325 0.179 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H](C)C(=O)NCc2ccccc2)no1 ZINC000173562520 198226755 /nfs/dbraw/zinc/22/67/55/198226755.db2.gz ZXIWJTOQJSXSRS-JTQLQIEISA-N 0 0 317.349 0.882 10 0 DCAERN C[C@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000173829364 198257887 /nfs/dbraw/zinc/25/78/87/198257887.db2.gz HUGNXJIQIJGNDB-LBPRGKRZSA-N 0 0 311.407 0.679 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000174092567 198289799 /nfs/dbraw/zinc/28/97/99/198289799.db2.gz ICDPZDNWUHGVAP-UHFFFAOYSA-N 0 0 313.361 0.996 10 0 DCAERN CCc1cnc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000174202683 198305746 /nfs/dbraw/zinc/30/57/46/198305746.db2.gz MBRBLLYGBNUWCH-QMMMGPOBSA-N 0 0 318.424 0.861 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CSC(=O)N3)C2)no1 ZINC000174607370 198358754 /nfs/dbraw/zinc/35/87/54/198358754.db2.gz MYPFAKAXTHNJGC-UWVGGRQHSA-N 0 0 310.379 0.984 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000174658855 198366577 /nfs/dbraw/zinc/36/65/77/198366577.db2.gz LFGOEGOWHVJFFX-UONOGXRCSA-N 0 0 306.410 0.940 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174973879 198409816 /nfs/dbraw/zinc/40/98/16/198409816.db2.gz UGYLOIKLIDULDF-RYUDHWBXSA-N 0 0 306.366 0.519 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1O ZINC000135602566 291013335 /nfs/dbraw/zinc/01/33/35/291013335.db2.gz CQMHRWMNQZZYGW-MNOVXSKESA-N 0 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/nfs/dbraw/zinc/14/23/62/199142362.db2.gz MHQAOADLNYTJSD-MRXNPFEDSA-N 0 0 318.377 0.736 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)n1 ZINC000180318888 199144878 /nfs/dbraw/zinc/14/48/78/199144878.db2.gz UWNPIQVXXDRXCN-MGPQQGTHSA-N 0 0 322.409 0.813 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)NCc3ccnn3C)cc21 ZINC000180419183 199156121 /nfs/dbraw/zinc/15/61/21/199156121.db2.gz OFXAKGPHVXRAAA-UHFFFAOYSA-N 0 0 313.361 0.667 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000091782815 283356349 /nfs/dbraw/zinc/35/63/49/283356349.db2.gz JXLDSJDEYWACOZ-GFCCVEGCSA-N 0 0 319.292 0.807 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)NCC3(C)COC3)cc21 ZINC000180571567 199177662 /nfs/dbraw/zinc/17/76/62/199177662.db2.gz GGZJHZXIVCBAND-UHFFFAOYSA-N 0 0 303.362 0.770 10 0 DCAERN CC[C@H](COC)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180575786 199178537 /nfs/dbraw/zinc/17/85/37/199178537.db2.gz CAPCYYAAQITZQR-SNVBAGLBSA-N 0 0 317.349 0.951 10 0 DCAERN Cc1ccccc1CS(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000159200061 237072481 /nfs/dbraw/zinc/07/24/81/237072481.db2.gz XMBYYINOKHDEAR-GFCCVEGCSA-N 0 0 317.432 0.944 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000163273779 237112439 /nfs/dbraw/zinc/11/24/39/237112439.db2.gz WLJIOYSOXJNGRX-SNVBAGLBSA-N 0 0 319.336 0.913 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000163681820 237115490 /nfs/dbraw/zinc/11/54/90/237115490.db2.gz DLROVHVKJIAJOO-GHMZBOCLSA-N 0 0 304.350 0.441 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000172447838 237147183 /nfs/dbraw/zinc/14/71/83/237147183.db2.gz UQQDJQNPTLCDNG-CHWSQXEVSA-N 0 0 309.410 0.939 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000167465622 237125144 /nfs/dbraw/zinc/12/51/44/237125144.db2.gz ISHRQBOAACDPEP-BDAKNGLRSA-N 0 0 316.354 0.723 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)NCCS(N)(=O)=O)cc1F ZINC000176913986 237207459 /nfs/dbraw/zinc/20/74/59/237207459.db2.gz MTALLXNSWOFXMN-SECBINFHSA-N 0 0 303.359 0.783 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000179284513 237249879 /nfs/dbraw/zinc/24/98/79/237249879.db2.gz FPDXTYQTKCMYOI-UHFFFAOYSA-N 0 0 317.436 0.867 10 0 DCAERN COc1cccc(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000187185541 200073585 /nfs/dbraw/zinc/07/35/85/200073585.db2.gz PVNQRYFJNHFQEK-OLZOCXBDSA-N 0 0 303.362 0.902 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000187284069 200088209 /nfs/dbraw/zinc/08/82/09/200088209.db2.gz ABBAKUQMUZLRHG-LLVKDONJSA-N 0 0 323.368 0.923 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)NCC1(CCO)CC1 ZINC000188002627 237363339 /nfs/dbraw/zinc/36/33/39/237363339.db2.gz NJGILOUATOBMFF-UHFFFAOYSA-N 0 0 318.439 0.471 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCO ZINC000187672693 200142844 /nfs/dbraw/zinc/14/28/44/200142844.db2.gz YXMWQKOJJDVUSB-LLVKDONJSA-N 0 0 312.801 0.672 10 0 DCAERN CC[C@H](NC(=O)NCCS(=O)(=O)NC)c1nccs1 ZINC000187838982 200164514 /nfs/dbraw/zinc/16/45/14/200164514.db2.gz BYOYYAKGSBLLAT-QMMMGPOBSA-N 0 0 306.413 0.443 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000191685217 237453939 /nfs/dbraw/zinc/45/39/39/237453939.db2.gz XVMZLHZNHBWCIU-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)C(=O)NCC(=O)N(C)C)cc1F ZINC000154327071 291212696 /nfs/dbraw/zinc/21/26/96/291212696.db2.gz VOAKOKXMVIDQSC-SNVBAGLBSA-N 0 0 309.341 0.516 10 0 DCAERN Cn1ncc2c1nnn(Cc1nnc(-c3ccccc3)n1C)c2=O ZINC000154443241 291213619 /nfs/dbraw/zinc/21/36/19/291213619.db2.gz DMIWCBIUNXIUTG-UHFFFAOYSA-N 0 0 322.332 0.369 10 0 DCAERN CN(C)c1ncc(NC(=O)NCCCC(=O)NC2CC2)cn1 ZINC000154738757 291215531 /nfs/dbraw/zinc/21/55/31/291215531.db2.gz QPSRRAJTAUXXLG-UHFFFAOYSA-N 0 0 306.370 0.723 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cccc(-c2nc[nH]n2)c1 ZINC000156376297 291224596 /nfs/dbraw/zinc/22/45/96/291224596.db2.gz VAUWCXDNLQUXGE-MRXNPFEDSA-N 0 0 316.361 0.991 10 0 DCAERN COc1ccc(C2S(=O)(=O)CCCS2(=O)=O)cc1OC ZINC000006018576 181306205 /nfs/dbraw/zinc/30/62/05/181306205.db2.gz ODNGPQOKPLSWSJ-UHFFFAOYSA-N 0 0 320.388 0.936 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000163623419 291246307 /nfs/dbraw/zinc/24/63/07/291246307.db2.gz ZPDYNGOPTHXDRB-QWRGUYRKSA-N 0 0 304.350 0.441 10 0 DCAERN C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163679445 291246761 /nfs/dbraw/zinc/24/67/61/291246761.db2.gz GCOKEVIJXMNSOO-QWRGUYRKSA-N 0 0 305.382 0.986 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000269189836 291250440 /nfs/dbraw/zinc/25/04/40/291250440.db2.gz FBVHVGWHNLVZNE-GRYCIOLGSA-N 0 0 306.370 0.119 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cscc1Br ZINC000404886477 291260203 /nfs/dbraw/zinc/26/02/03/291260203.db2.gz IVKDOQSDJZMQAA-XRGYYRRGSA-N 0 0 319.180 0.571 10 0 DCAERN COC(=O)CCC(=O)NC(=S)Nc1ccc(C(N)=O)cc1 ZINC000006388634 181336255 /nfs/dbraw/zinc/33/62/55/181336255.db2.gz BPDHUZHDOGJIHC-UHFFFAOYSA-N 0 0 309.347 0.552 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408356527 239266457 /nfs/dbraw/zinc/26/64/57/239266457.db2.gz ZDTCHKYFJYGSSU-OLZOCXBDSA-N 0 0 306.428 0.700 10 0 DCAERN CCOc1ccc(NC(=O)C[C@H]([NH2+]CCCO)C(=O)[O-])cc1 ZINC000006595756 181359606 /nfs/dbraw/zinc/35/96/06/181359606.db2.gz GJABIFYLWPRUEA-ZDUSSCGKSA-N 0 0 310.350 0.839 10 0 DCAERN CC(=O)N(C[C@@H]1CCCN1CC(=O)Nc1nncs1)C1CC1 ZINC000275496283 212372705 /nfs/dbraw/zinc/37/27/05/212372705.db2.gz ABUVLTOVWCLVQL-LBPRGKRZSA-N 0 0 323.422 0.952 10 0 DCAERN CCOCC(=O)N[C@H]1CN(Cc2nnc(C)n2C)C[C@@H]1C1CC1 ZINC000091663599 193086566 /nfs/dbraw/zinc/08/65/66/193086566.db2.gz JAHWMQAJOYAQPR-KGLIPLIRSA-N 0 0 321.425 0.487 10 0 DCAERN C[C@@H](c1ccccn1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091702350 193094443 /nfs/dbraw/zinc/09/44/43/193094443.db2.gz YQMJGBKOCAGVDO-STQMWFEESA-N 0 0 304.394 0.798 10 0 DCAERN COc1ccc([C@@H](C)CC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091782759 193106650 /nfs/dbraw/zinc/10/66/50/193106650.db2.gz GGDUUTXJSVPNCX-SMDDNHRTSA-N 0 0 306.362 0.902 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3)sc2C1 ZINC000454066151 240769205 /nfs/dbraw/zinc/76/92/05/240769205.db2.gz LJXQSLPAVLANJR-HLTSFMKQSA-N 0 0 309.391 0.846 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000455401274 240843439 /nfs/dbraw/zinc/84/34/39/240843439.db2.gz GRPPXRNOQVGZMN-CABZTGNLSA-N 0 0 323.315 0.706 10 0 DCAERN COCCN1CCN(C(=O)c2c(C)[nH]nc2C(C)C)CC1=O ZINC000091986647 193137561 /nfs/dbraw/zinc/13/75/61/193137561.db2.gz OROSQDNPWXCJNN-UHFFFAOYSA-N 0 0 308.382 0.772 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C(C)(C)O)c1 ZINC000456098331 240877437 /nfs/dbraw/zinc/87/74/37/240877437.db2.gz MDACGVSMYKVMQS-JTQLQIEISA-N 0 0 314.407 0.826 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000408335949 291390233 /nfs/dbraw/zinc/39/02/33/291390233.db2.gz KONVBGMSYITLKM-VXGBXAGGSA-N 0 0 317.407 0.770 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC[C@H]1C(=O)OC)CC2 ZINC000367569502 283978093 /nfs/dbraw/zinc/97/80/93/283978093.db2.gz BLJXQXCQSPNAOQ-TUAOUCFPSA-N 0 0 309.362 0.987 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1ncsc1Br ZINC000568239860 291416180 /nfs/dbraw/zinc/41/61/80/291416180.db2.gz VMMXQTPOKUNEEN-UHFFFAOYSA-N 0 0 321.200 0.907 10 0 DCAERN Cc1ccc(C)c(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000092230544 193177404 /nfs/dbraw/zinc/17/74/04/193177404.db2.gz KUQXRVPQUMCWDK-UONOGXRCSA-N 0 0 308.378 0.229 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000092229614 193177538 /nfs/dbraw/zinc/17/75/38/193177538.db2.gz JXTMZKUAFUZJPT-LLVKDONJSA-N 0 0 315.732 0.604 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1cn2ccnc2s1 ZINC000188262815 261125632 /nfs/dbraw/zinc/12/56/32/261125632.db2.gz KJUXBNIZXTTZMX-UHFFFAOYSA-N 0 0 302.381 0.065 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@H](O)C1CCOCC1 ZINC000569050143 291459286 /nfs/dbraw/zinc/45/92/86/291459286.db2.gz DBUZJOCBFBLCIV-AWEZNQCLSA-N 0 0 300.399 0.890 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(CC[C@@H](C)NC(C)=O)c1 ZINC000095935268 193450008 /nfs/dbraw/zinc/45/00/08/193450008.db2.gz JXLXNAVSIQMKLQ-SECBINFHSA-N 0 0 300.380 0.800 10 0 DCAERN CS(=O)(=O)NC[C@@H]1OC[C@@H]2CN(c3ccccn3)CC[C@H]12 ZINC000096065616 193516631 /nfs/dbraw/zinc/51/66/31/193516631.db2.gz NWBRCHVNIBQICQ-AVGNSLFASA-N 0 0 311.407 0.472 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C)N1CCN(C)CC1 ZINC000364957907 284208650 /nfs/dbraw/zinc/20/86/50/284208650.db2.gz WPRZUTPABOXPLI-XQLPTFJDSA-N 0 0 323.437 0.422 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408059976 284208659 /nfs/dbraw/zinc/20/86/59/284208659.db2.gz RJPNINAQSHGJJB-HPCHECBXSA-N 0 0 310.394 0.506 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)N[C@@H](C)Cn1cncn1)CC2 ZINC000265082386 204384721 /nfs/dbraw/zinc/38/47/21/204384721.db2.gz KBRSLHXDSTWGOU-NWDGAFQWSA-N 0 0 321.381 0.651 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)CC(=O)N1C ZINC000282477273 217024355 /nfs/dbraw/zinc/02/43/55/217024355.db2.gz VHBUOPBHJLUASK-NSHDSACASA-N 0 0 313.357 0.841 10 0 DCAERN CN1CCN(CC(=O)N2CCC(C3CCOCC3)CC2)CC1=O ZINC000572347201 291562855 /nfs/dbraw/zinc/56/28/55/291562855.db2.gz PYBBESSROLQBHY-UHFFFAOYSA-N 0 0 323.437 0.426 10 0 DCAERN COC(=O)CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000020113869 182188158 /nfs/dbraw/zinc/18/81/58/182188158.db2.gz VXQWRJPPRAKMJN-UHFFFAOYSA-N 0 0 314.363 0.875 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373310 182212529 /nfs/dbraw/zinc/21/25/29/182212529.db2.gz YRYCDRDFXDFIIW-GFCCVEGCSA-N 0 0 304.346 0.946 10 0 DCAERN CCCNC(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000023251894 182354489 /nfs/dbraw/zinc/35/44/89/182354489.db2.gz RIMBYFAHGHMEND-INIZCTEOSA-N 0 0 305.422 0.864 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000172625483 296228472 /nfs/dbraw/zinc/22/84/72/296228472.db2.gz CZUJKWUDFYNKNM-GFCCVEGCSA-N 0 0 315.251 0.996 10 0 DCAERN CC(=O)O[C@H]1CCC(O)=C(C(=O)CC2CC(=O)NC(=O)C2)C1 ZINC000031623984 182618038 /nfs/dbraw/zinc/61/80/38/182618038.db2.gz SVJMSYJZWQVJKU-QWRGUYRKSA-N 0 0 309.318 0.299 10 0 DCAERN C[C@@H](C1CC1)n1cc(NC(=O)N[C@@H]2CCC(=O)NC2=O)cn1 ZINC000189779880 335035596 /nfs/dbraw/zinc/03/55/96/335035596.db2.gz HAIXGFITLUGIJE-GZMMTYOYSA-N 0 0 305.338 0.781 10 0 DCAERN CC[C@@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)[C@@H]1CCCO1 ZINC000573362938 291627427 /nfs/dbraw/zinc/62/74/27/291627427.db2.gz BZVGJGAWGAEVMF-OLZOCXBDSA-N 0 0 310.394 0.699 10 0 DCAERN Cc1noc(CCNC(=O)CNC(=O)c2cccc(F)c2)n1 ZINC000101663517 193833493 /nfs/dbraw/zinc/83/34/93/193833493.db2.gz ZMXBARCPXAIWCF-UHFFFAOYSA-N 0 0 306.297 0.606 10 0 DCAERN COCCN1CN(C(=O)Nc2cnc(C)nc2C2CC2)CC1=O ZINC000573700652 291650071 /nfs/dbraw/zinc/65/00/71/291650071.db2.gz WDRKSQLZLXREJX-UHFFFAOYSA-N 0 0 319.365 0.942 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)N(C)C1CCCCC1 ZINC000408287212 296260697 /nfs/dbraw/zinc/26/06/97/296260697.db2.gz PKFMORGTJHITCX-LLVKDONJSA-N 0 0 303.428 0.706 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2ccc(N)cc2Cl)CC1 ZINC000040332563 183054584 /nfs/dbraw/zinc/05/45/84/183054584.db2.gz HNAWMSFSANEMLG-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN CC(C)N(CCO)S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000042480847 183275142 /nfs/dbraw/zinc/27/51/42/183275142.db2.gz MMHYLVNMPOXFNN-UHFFFAOYSA-N 0 0 302.421 0.712 10 0 DCAERN O=C1C(=O)N(CCOCCO)c2c1cccc2Br ZINC000042375525 183261450 /nfs/dbraw/zinc/26/14/50/183261450.db2.gz OEFQYIVRZCAGAY-UHFFFAOYSA-N 0 0 314.135 0.987 10 0 DCAERN CN1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000042848629 183314232 /nfs/dbraw/zinc/31/42/32/183314232.db2.gz JVIKOVARIHRIBV-CHWSQXEVSA-N 0 0 316.361 0.100 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12 ZINC000042811803 183311461 /nfs/dbraw/zinc/31/14/61/183311461.db2.gz NJIRVTJLXYUINF-LBPRGKRZSA-N 0 0 300.318 0.425 10 0 DCAERN C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCC(F)(F)F ZINC000378480906 296270254 /nfs/dbraw/zinc/27/02/54/296270254.db2.gz HSWCUHAWFVTCBY-MRVPVSSYSA-N 0 0 302.318 0.869 10 0 DCAERN O=S(=O)(Cc1ccccc1)NCCc1nnc2n1CCC2 ZINC000044936151 183461460 /nfs/dbraw/zinc/46/14/60/183461460.db2.gz DVPMPCFDCDFYDM-UHFFFAOYSA-N 0 0 306.391 0.886 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCOC[C@H]2c2cccn2C)C1 ZINC000408049445 296271838 /nfs/dbraw/zinc/27/18/38/296271838.db2.gz ZRFXKFWYWONCGC-OBJOEFQTSA-N 0 0 305.378 0.840 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCNC(=O)C1(C)C)c1ccccc1 ZINC000103971154 193969702 /nfs/dbraw/zinc/96/97/02/193969702.db2.gz PALIYRKHGUCWJU-CQSZACIVSA-N 0 0 317.389 0.991 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCNC(=O)c1cccs1 ZINC000104357155 194000717 /nfs/dbraw/zinc/00/07/17/194000717.db2.gz SIOITFXZZZOCIN-SNVBAGLBSA-N 0 0 309.391 0.605 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN(C2CC2)CC1 ZINC000104333730 194000261 /nfs/dbraw/zinc/00/02/61/194000261.db2.gz OGNCXWRTPFTGAI-UHFFFAOYSA-N 0 0 301.346 0.938 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1 ZINC000104357175 194000965 /nfs/dbraw/zinc/00/09/65/194000965.db2.gz ISQLOGDBISHRNG-CQSZACIVSA-N 0 0 317.389 0.934 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104801673 194040901 /nfs/dbraw/zinc/04/09/01/194040901.db2.gz BLHHUQMCVLHBJU-ZDUSSCGKSA-N 0 0 314.407 0.324 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000104797884 194042242 /nfs/dbraw/zinc/04/22/42/194042242.db2.gz QOKWNQYWUXXOCT-CABCVRRESA-N 0 0 307.394 0.220 10 0 DCAERN CN(CCNC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000104797493 194042414 /nfs/dbraw/zinc/04/24/14/194042414.db2.gz MOHWZCVDFQJVDR-HNNXBMFYSA-N 0 0 306.410 0.753 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)CC(=O)Nc1ccccc1F ZINC000078883403 291710773 /nfs/dbraw/zinc/71/07/73/291710773.db2.gz QCDGZFLGQVNNPI-SECBINFHSA-N 0 0 317.338 0.988 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000408224295 296286169 /nfs/dbraw/zinc/28/61/69/296286169.db2.gz WEMWJLKKPYMVHK-BXUZGUMPSA-N 0 0 320.455 0.571 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)c3csnn3)CC2)n1 ZINC000105819986 194136701 /nfs/dbraw/zinc/13/67/01/194136701.db2.gz GEYKTRDSQKLPSE-UHFFFAOYSA-N 0 0 320.378 0.689 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805327 194134217 /nfs/dbraw/zinc/13/42/17/194134217.db2.gz KGYARTZXUVDSPI-CYBMUJFWSA-N 0 0 321.425 0.894 10 0 DCAERN COCCN1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000105832847 194141833 /nfs/dbraw/zinc/14/18/33/194141833.db2.gz VHFCHADJJKAJGP-SOUVJXGZSA-N 0 0 313.442 0.275 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000105896805 194161427 /nfs/dbraw/zinc/16/14/27/194161427.db2.gz ULQABNKSVSOSDR-CYBMUJFWSA-N 0 0 319.409 0.041 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000105896288 194163308 /nfs/dbraw/zinc/16/33/08/194163308.db2.gz OINWTTBWTQLGEI-LBPRGKRZSA-N 0 0 307.398 0.928 10 0 DCAERN COCCCNC(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105909459 194167151 /nfs/dbraw/zinc/16/71/51/194167151.db2.gz VFVYNOVAQBSDIG-UHFFFAOYSA-N 0 0 321.425 0.450 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)NCCC(=O)OC)CC1 ZINC000105929688 194172049 /nfs/dbraw/zinc/17/20/49/194172049.db2.gz GDQZZROPZMISNN-UHFFFAOYSA-N 0 0 323.397 0.157 10 0 DCAERN COc1ccc(C[C@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1OC ZINC000106692412 194244099 /nfs/dbraw/zinc/24/40/99/194244099.db2.gz HFXJQQBFARNFLZ-CMPLNLGQSA-N 0 0 306.362 0.887 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccnn2C)C1 ZINC000051270013 183821807 /nfs/dbraw/zinc/82/18/07/183821807.db2.gz DYLMHBSCCOQTGO-GFCCVEGCSA-N 0 0 307.398 0.868 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NC1C2CC3CC(C2)CC1C3 ZINC000110179356 194314556 /nfs/dbraw/zinc/31/45/56/194314556.db2.gz FWMRNJBZQNVAAF-UHFFFAOYSA-N 0 0 305.378 0.869 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000110285648 194320199 /nfs/dbraw/zinc/32/01/99/194320199.db2.gz KBAWTPWABDDYGH-ZBFHGGJFSA-N 0 0 317.389 0.956 10 0 DCAERN O=C(NCCCNC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000110322629 194322373 /nfs/dbraw/zinc/32/23/73/194322373.db2.gz PRCYSICCSDZPEQ-NSHDSACASA-N 0 0 307.325 0.198 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000110852292 194363639 /nfs/dbraw/zinc/36/36/39/194363639.db2.gz YIZKQOVFUBSOQT-ZDUSSCGKSA-N 0 0 318.377 0.654 10 0 DCAERN CC[C@H](CC(N)=S)NS(=O)(=O)CCc1ccccn1 ZINC000054162894 183927381 /nfs/dbraw/zinc/92/73/81/183927381.db2.gz DZYLPVOLNFVXPB-SNVBAGLBSA-N 0 0 301.437 0.998 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000056100575 184004721 /nfs/dbraw/zinc/00/47/21/184004721.db2.gz GXUCQLPHCUFCHN-MNOVXSKESA-N 0 0 312.391 0.970 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000056228114 184007573 /nfs/dbraw/zinc/00/75/73/184007573.db2.gz HENQCZQMSQBLMY-LBPRGKRZSA-N 0 0 307.325 0.815 10 0 DCAERN NC(=O)NCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000060397727 184148380 /nfs/dbraw/zinc/14/83/80/184148380.db2.gz JJDBXVSYGXQVNQ-UHFFFAOYSA-N 0 0 304.350 0.920 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1CCOCC[C@H]1C ZINC000362303399 262020895 /nfs/dbraw/zinc/02/08/95/262020895.db2.gz ACMRJHKJOXOWCY-GFCCVEGCSA-N 0 0 321.443 0.478 10 0 DCAERN CC(C)N1CCn2nc(C(=O)NC[C@H]3COCCO3)cc2C1 ZINC000065427573 184343290 /nfs/dbraw/zinc/34/32/90/184343290.db2.gz ZNORWGPGWOEDFT-ZDUSSCGKSA-N 0 0 308.382 0.252 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)sc2C)CCO1 ZINC000112674336 194500857 /nfs/dbraw/zinc/50/08/57/194500857.db2.gz OFOUCWIFXDAFOB-SNVBAGLBSA-N 0 0 319.404 0.927 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)O)C(C)C ZINC000098078127 252591014 /nfs/dbraw/zinc/59/10/14/252591014.db2.gz SZSUCKYCAYXDCK-BXUZGUMPSA-N 0 0 308.378 0.947 10 0 DCAERN Cc1cc(N2CCC(NC(=O)[C@@H](C)N3CCOCC3)CC2)n[nH]1 ZINC000333065789 252676356 /nfs/dbraw/zinc/67/63/56/252676356.db2.gz NWGFFPRVYFHHSN-CYBMUJFWSA-N 0 0 321.425 0.524 10 0 DCAERN C[C@H]1[C@@H](O)CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333327426 252706787 /nfs/dbraw/zinc/70/67/87/252706787.db2.gz CAYHWFULUZGSOR-GHYVTOPFSA-N 0 0 308.382 0.805 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000336699716 252794980 /nfs/dbraw/zinc/79/49/80/252794980.db2.gz DCQIZUNMRXJUFY-HUUCEWRRSA-N 0 0 320.389 0.643 10 0 DCAERN O=S(=O)(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333182769 285041456 /nfs/dbraw/zinc/04/14/56/285041456.db2.gz QCHHTGYDTSNTHB-SEBNEYGDSA-N 0 0 314.451 0.958 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338197420 252928817 /nfs/dbraw/zinc/92/88/17/252928817.db2.gz QANATAANCPGVHU-GASCZTMLSA-N 0 0 305.330 0.894 10 0 DCAERN COCCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000368640578 285071928 /nfs/dbraw/zinc/07/19/28/285071928.db2.gz DOCTUKMWWBHPRJ-WFASDCNBSA-N 0 0 320.393 0.625 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCC([C@H](C)O)CC2)cn1 ZINC000195284912 533044073 /nfs/dbraw/zinc/04/40/73/533044073.db2.gz ASROMHWTCZLFRM-JTQLQIEISA-N 0 0 300.380 0.872 10 0 DCAERN COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CSCN1C(C)=O ZINC000339696725 253129073 /nfs/dbraw/zinc/12/90/73/253129073.db2.gz DQWXKZOZFCTSRG-GHMZBOCLSA-N 0 0 300.380 0.462 10 0 DCAERN CCc1nc2n(n1)C[C@H](N1C(=O)CN(CCOC)C1=O)CC2 ZINC000348906080 254264433 /nfs/dbraw/zinc/26/44/33/254264433.db2.gz FYBPPSBKYRPMLO-SNVBAGLBSA-N 0 0 307.354 0.066 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000351897743 254378974 /nfs/dbraw/zinc/37/89/74/254378974.db2.gz QDBPKTRHOMNZDK-UHFFFAOYSA-N 0 0 307.354 0.156 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)Cn1ncn(C)c1=O ZINC000352478156 254416503 /nfs/dbraw/zinc/41/65/03/254416503.db2.gz SWZQQSZIHXWTLF-UHFFFAOYSA-N 0 0 303.322 0.203 10 0 DCAERN Cc1noc([C@@H]2COC[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)n1 ZINC000248022171 257110621 /nfs/dbraw/zinc/11/06/21/257110621.db2.gz JJCUCYQDBKEWLI-ZMLRMANQSA-N 0 0 313.379 0.532 10 0 DCAERN Cc1noc(C[C@@H]2CO[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]32)n1 ZINC000247982078 257112724 /nfs/dbraw/zinc/11/27/24/257112724.db2.gz XUJWMKFVWAKEAV-USWWRNFRSA-N 0 0 313.379 0.360 10 0 DCAERN Cc1noc([C@@H]2COC[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]32)n1 ZINC000247992580 257113223 /nfs/dbraw/zinc/11/32/23/257113223.db2.gz BJWBURDYLJXRPI-SDDRHHMPSA-N 0 0 315.333 0.670 10 0 DCAERN COCCN1CC[C@@]2(CN(C(=O)c3cnccn3)C[C@@H]2C)C1=O ZINC000247887521 257115233 /nfs/dbraw/zinc/11/52/33/257115233.db2.gz SCCYNOMWYCBNFR-LRDDRELGSA-N 0 0 318.377 0.434 10 0 DCAERN COCCNC(=O)C[C@@H]1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2O1 ZINC000247881852 257115416 /nfs/dbraw/zinc/11/54/16/257115416.db2.gz QEIJGPHUDZLXBQ-WXHSDQCUSA-N 0 0 324.356 0.362 10 0 DCAERN O=C([C@H]1CN(Cc2ccoc2)Cc2cncn21)N1CCOCC1 ZINC000247804953 257118165 /nfs/dbraw/zinc/11/81/65/257118165.db2.gz AEBSIFZEQYMTLG-OAHLLOKOSA-N 0 0 316.361 0.892 10 0 DCAERN O=S(=O)(NC[C@H]1Cn2nccc2CN(C2CCC2)C1)C1CC1 ZINC000247334015 257120343 /nfs/dbraw/zinc/12/03/43/257120343.db2.gz QAWVVVJGTYEOEA-GFCCVEGCSA-N 0 0 324.450 0.949 10 0 DCAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccncc2)cn1 ZINC000096245993 257133132 /nfs/dbraw/zinc/13/31/32/257133132.db2.gz SSQXGBHOAFKFIY-KGLIPLIRSA-N 0 0 311.345 0.835 10 0 DCAERN CNC(=O)C[C@H]1CN(C(=O)c2cc(C)on2)Cc2ccnn21 ZINC000253479072 257105395 /nfs/dbraw/zinc/10/53/95/257105395.db2.gz ONBGPGZLJFQGSI-NSHDSACASA-N 0 0 303.322 0.513 10 0 DCAERN CCS(=O)(=O)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000253489270 257105663 /nfs/dbraw/zinc/10/56/63/257105663.db2.gz DRDIJBURYBANDJ-QWHCGFSZSA-N 0 0 309.391 0.322 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194119497 299611648 /nfs/dbraw/zinc/61/16/48/299611648.db2.gz FUDGQWGSCSLVPQ-VWYCJHECSA-N 0 0 304.412 0.325 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@](C)(O)C1 ZINC000183850169 533452195 /nfs/dbraw/zinc/45/21/95/533452195.db2.gz HGNSVCPDLYYLAM-HNNXBMFYSA-N 0 0 304.350 0.964 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ncnc3c2CCCCC3)C1 ZINC000163228362 533418184 /nfs/dbraw/zinc/41/81/84/533418184.db2.gz ZKMCDYNECDGMAQ-NSHDSACASA-N 0 0 310.423 0.873 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000172581766 533580392 /nfs/dbraw/zinc/58/03/92/533580392.db2.gz OPVFEKBZUJBMET-CYBMUJFWSA-N 0 0 313.442 0.900 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195479250 533534119 /nfs/dbraw/zinc/53/41/19/533534119.db2.gz ZGLPBRHPJUDRBA-GWCFXTLKSA-N 0 0 312.391 0.639 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278603730 130706151 /nfs/dbraw/zinc/70/61/51/130706151.db2.gz ALLVVUJHMUDCOF-QGZVFWFLSA-N 0 0 318.421 0.826 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCc3nccn3C2)CC(=O)N1C ZINC000283568435 131004155 /nfs/dbraw/zinc/00/41/55/131004155.db2.gz QFRRYTCHJUVASL-NWDGAFQWSA-N 0 0 305.382 0.318 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000284091696 131048253 /nfs/dbraw/zinc/04/82/53/131048253.db2.gz NAVILKNXNUVLRG-ZIAGYGMSSA-N 0 0 318.373 0.889 10 0 DCAERN NC(=O)CC1CCN(C(=O)c2cnc(OCC3CC3)cn2)CC1 ZINC000284198300 131058209 /nfs/dbraw/zinc/05/82/09/131058209.db2.gz HXGFGXQQYGEXNK-UHFFFAOYSA-N 0 0 318.377 0.993 10 0 DCAERN Cc1cc(N2CCC[C@@](O)(C(N)=O)C2)ncc1Br ZINC000284463020 131082486 /nfs/dbraw/zinc/08/24/86/131082486.db2.gz AQXRYEFKAVCBDY-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2COc3ccccc3C2)C1 ZINC000284607684 131097029 /nfs/dbraw/zinc/09/70/29/131097029.db2.gz CBYHHRMZXJNNKF-WMLDXEAASA-N 0 0 318.373 0.480 10 0 DCAERN COc1ncc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)cc1Cl ZINC000284639368 131099661 /nfs/dbraw/zinc/09/96/61/131099661.db2.gz DGSXXRZKXZSYJW-WDEREUQCSA-N 0 0 323.740 0.705 10 0 DCAERN COc1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(O)c1 ZINC000284653476 131100758 /nfs/dbraw/zinc/10/07/58/131100758.db2.gz WIHKFCCGFYFBEO-UKRRQHHQSA-N 0 0 306.362 0.946 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2c(F)cccc2F)[C@@H]1C(N)=O ZINC000284821158 131113686 /nfs/dbraw/zinc/11/36/86/131113686.db2.gz UXAWMCJEYKLXCN-XCBNKYQSSA-N 0 0 320.317 0.228 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000285190162 131145230 /nfs/dbraw/zinc/14/52/30/131145230.db2.gz VBPYQYVVNHZGGP-UWVGGRQHSA-N 0 0 316.354 0.397 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000285189331 131145682 /nfs/dbraw/zinc/14/56/82/131145682.db2.gz RTMLEVSJXPDKMK-UHFFFAOYSA-N 0 0 314.411 0.217 10 0 DCAERN COc1ccnc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503832 131174928 /nfs/dbraw/zinc/17/49/28/131174928.db2.gz FNFFUZLGVGFGRA-CQSZACIVSA-N 0 0 313.423 0.946 10 0 DCAERN CNC(=O)[C@H]1CN(c2ncnc3c2ncn3C2CC2)CCO1 ZINC000292608683 131662023 /nfs/dbraw/zinc/66/20/23/131662023.db2.gz CNKNWSGWPCUWDU-SNVBAGLBSA-N 0 0 302.338 0.112 10 0 DCAERN Cc1cc2c(cc1C)O[C@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)C2 ZINC000285340510 292005208 /nfs/dbraw/zinc/00/52/08/292005208.db2.gz MBLRUBRQUUICIK-UGFHNGPFSA-N 0 0 318.373 0.708 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000120605150 132148886 /nfs/dbraw/zinc/14/88/86/132148886.db2.gz MPFPALJYBSQQQF-ZDUSSCGKSA-N 0 0 300.380 0.940 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000121494389 132155784 /nfs/dbraw/zinc/15/57/84/132155784.db2.gz BCNBCQFPWLSHGN-IIAWOOMASA-N 0 0 311.426 0.654 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(Cl)ncc1Cl ZINC000121846223 132160513 /nfs/dbraw/zinc/16/05/13/132160513.db2.gz NFLOJBAQFQCHFU-ZETCQYMHSA-N 0 0 302.117 0.923 10 0 DCAERN CCNS(=O)(=O)N[C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444274685 285608152 /nfs/dbraw/zinc/60/81/52/285608152.db2.gz DGBWDLLDQMZQSQ-SKDRFNHKSA-N 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/nfs/dbraw/zinc/71/45/34/395714534.db2.gz MGMCQLOLVGIAGO-UHFFFAOYSA-N 0 0 306.351 0.512 10 0 DCAERN CC[C@@H](C)n1nccc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000089942750 395717362 /nfs/dbraw/zinc/71/73/62/395717362.db2.gz URIPBKVXYRNEIW-GFCCVEGCSA-N 0 0 322.413 0.750 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](C)[C@H](O)C3)cnc12 ZINC000091083406 395721444 /nfs/dbraw/zinc/72/14/44/395721444.db2.gz BQZVIZNMFYARRV-GXFFZTMASA-N 0 0 301.346 0.846 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 ZINC000036532675 395723373 /nfs/dbraw/zinc/72/33/73/395723373.db2.gz CQKHENXHLAUMBH-QGCZZPFOSA-N 0 0 322.313 0.308 10 0 DCAERN CNc1nnc(SCC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000027943303 395695427 /nfs/dbraw/zinc/69/54/27/395695427.db2.gz ZSKXAOZIFKVDTB-SSDOTTSWSA-N 0 0 315.424 0.396 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1CC(O)C1 ZINC000091525292 395725907 /nfs/dbraw/zinc/72/59/07/395725907.db2.gz WYYFOOVROZQOGT-UHFFFAOYSA-N 0 0 317.363 0.732 10 0 DCAERN CCOC(=O)C(Cc1ccco1)(NC(=O)CF)C(=O)OCC ZINC000038286899 395731832 /nfs/dbraw/zinc/73/18/32/395731832.db2.gz ZVRMUPZJWRYGNL-UHFFFAOYSA-N 0 0 315.297 0.773 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC1CCC1 ZINC000093019570 395735768 /nfs/dbraw/zinc/73/57/68/395735768.db2.gz MUGVDBKFZFEXED-LLVKDONJSA-N 0 0 314.411 0.979 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000041600498 395738059 /nfs/dbraw/zinc/73/80/59/395738059.db2.gz OVTRFMPUNXXRQF-ZDUSSCGKSA-N 0 0 305.378 0.770 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCCCCC1 ZINC000042747538 395748148 /nfs/dbraw/zinc/74/81/48/395748148.db2.gz KHKPNCXRITUSPS-NEPJUHHUSA-N 0 0 303.428 0.693 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000042761984 395748575 /nfs/dbraw/zinc/74/85/75/395748575.db2.gz URPZNBUGHQABNF-ZYHUDNBSSA-N 0 0 321.352 0.668 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H](C)CCO ZINC000097444739 395758189 /nfs/dbraw/zinc/75/81/89/395758189.db2.gz IXNFVZLTYBZWRI-QMMMGPOBSA-N 0 0 319.379 0.980 10 0 DCAERN COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc(C)sc1C ZINC000106230484 395782018 /nfs/dbraw/zinc/78/20/18/395782018.db2.gz YWSBEUXLUDZHMN-SECBINFHSA-N 0 0 320.436 0.876 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)O[C@H](OCc3ccccc3)[C@H]2O1 ZINC000106403183 395782836 /nfs/dbraw/zinc/78/28/36/395782836.db2.gz NKCNUNUEQRYLNZ-QRTUWBSPSA-N 0 0 310.346 0.801 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000193928361 395783190 /nfs/dbraw/zinc/78/31/90/395783190.db2.gz CVAFCJPAFJKJBM-CYBMUJFWSA-N 0 0 319.471 0.757 10 0 DCAERN Cn1cnc2c1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000106667455 395783385 /nfs/dbraw/zinc/78/33/85/395783385.db2.gz UPIJYPJXNRRKOL-HZPDHXFCSA-N 0 0 318.421 0.948 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@H](N2CCCC2)C1)S(C)(=O)=O ZINC000107526458 395785650 /nfs/dbraw/zinc/78/56/50/395785650.db2.gz GNFYNFGRKFCKQS-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCOCC1 ZINC000045278024 395762155 /nfs/dbraw/zinc/76/21/55/395762155.db2.gz ZJYRPXRBKOAABZ-GFCCVEGCSA-N 0 0 310.375 0.947 10 0 DCAERN COCCn1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc32)n1 ZINC000101530945 395764526 /nfs/dbraw/zinc/76/45/26/395764526.db2.gz QSCCBSBETAVRDW-UHFFFAOYSA-N 0 0 315.333 0.811 10 0 DCAERN COC[C@@H](C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000103431832 395772685 /nfs/dbraw/zinc/77/26/85/395772685.db2.gz DSGUHCFUUSXNEF-SKDRFNHKSA-N 0 0 323.315 0.959 10 0 DCAERN COC[C@@H](C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000103519762 395774056 /nfs/dbraw/zinc/77/40/56/395774056.db2.gz IOKCLCIXAGYUSQ-HIFRSBDPSA-N 0 0 319.405 0.640 10 0 DCAERN COCCN(CC(F)F)C(=O)NC[C@H](C)N1CCOCC1 ZINC000103603213 395774879 /nfs/dbraw/zinc/77/48/79/395774879.db2.gz ZWZQKKDWPUQAHA-NSHDSACASA-N 0 0 309.357 0.630 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000103958786 395775941 /nfs/dbraw/zinc/77/59/41/395775941.db2.gz QBMHVOBDYOABTC-AWEZNQCLSA-N 0 0 317.389 0.770 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000270485986 395776182 /nfs/dbraw/zinc/77/61/82/395776182.db2.gz IWMGQXZXWYWCGN-ZDUSSCGKSA-N 0 0 306.410 0.826 10 0 DCAERN COc1ccc(OCCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194631918 395802625 /nfs/dbraw/zinc/80/26/25/395802625.db2.gz OTSXPSXKPZQDEY-OAHLLOKOSA-N 0 0 308.378 0.911 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)CC2 ZINC000194714309 395804896 /nfs/dbraw/zinc/80/48/96/395804896.db2.gz CTBAHBCPDMGRBM-LBPRGKRZSA-N 0 0 315.377 0.442 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000194758472 395806928 /nfs/dbraw/zinc/80/69/28/395806928.db2.gz YKKAXWHZQNFWBQ-TUAOUCFPSA-N 0 0 304.412 0.199 10 0 DCAERN COCCCS(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000111339595 395807376 /nfs/dbraw/zinc/80/73/76/395807376.db2.gz PBYBURVOSNNTED-LBPRGKRZSA-N 0 0 317.411 0.999 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000111613295 395810494 /nfs/dbraw/zinc/81/04/94/395810494.db2.gz RTVDQDWZRRQFSG-LLVKDONJSA-N 0 0 319.365 0.161 10 0 DCAERN Cn1c2ccc(CN3CCN4C(=O)NC[C@H]4C3)cc2sc1=O ZINC000195042804 395814478 /nfs/dbraw/zinc/81/44/78/395814478.db2.gz DGIMKUQUKBZITK-NSHDSACASA-N 0 0 318.402 0.809 10 0 DCAERN NC(=O)COc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000195081328 395815392 /nfs/dbraw/zinc/81/53/92/395815392.db2.gz PXPMHUOHSKAXNM-CQSZACIVSA-N 0 0 317.389 0.861 10 0 DCAERN O=C(CCC(=O)N[C@H]1CCCC[C@H]1O)N[C@@H]1CCCC[C@@H]1O ZINC000048524085 395816492 /nfs/dbraw/zinc/81/64/92/395816492.db2.gz CHSVACQCGHTHRB-LVEBTZEWSA-N 0 0 312.410 0.606 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000112391112 395817315 /nfs/dbraw/zinc/81/73/15/395817315.db2.gz SFVWMXXQJXJMOD-ZFWWWQNUSA-N 0 0 307.394 0.658 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)CNCC(F)(F)F)CC1 ZINC000112453030 395817658 /nfs/dbraw/zinc/81/76/58/395817658.db2.gz NAJFQNFHQNNLLL-UHFFFAOYSA-N 0 0 309.332 0.902 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccnc(-n2ccnc2)c1 ZINC000112647067 395820232 /nfs/dbraw/zinc/82/02/32/395820232.db2.gz MFEUHLZSRZLVLG-GFCCVEGCSA-N 0 0 309.333 0.604 10 0 DCAERN COC(=O)CCCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112744224 395824180 /nfs/dbraw/zinc/82/41/80/395824180.db2.gz GWZFYZJJLYKCGE-NSHDSACASA-N 0 0 309.370 0.626 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112747405 395824250 /nfs/dbraw/zinc/82/42/50/395824250.db2.gz UHOLXMNZTPFYBW-SNVBAGLBSA-N 0 0 308.386 0.054 10 0 DCAERN CCOC(=O)NCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195405425 395826433 /nfs/dbraw/zinc/82/64/33/395826433.db2.gz RQUBCDJJDDEHGC-JTQLQIEISA-N 0 0 309.370 0.579 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCCN2C(=O)CCC2=O)cn1 ZINC000113976073 395832270 /nfs/dbraw/zinc/83/22/70/395832270.db2.gz CFKSOJFBYYFFMO-LBPRGKRZSA-N 0 0 319.365 0.416 10 0 DCAERN C[NH+]1CCN(CCn2cc(I)cn2)CC1 ZINC000213963767 395835910 /nfs/dbraw/zinc/83/59/10/395835910.db2.gz KRQMSXPCFNMXGS-UHFFFAOYSA-N 0 0 320.178 0.735 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000118115903 395860065 /nfs/dbraw/zinc/86/00/65/395860065.db2.gz WVYRHDJQDXHBFO-ZDUSSCGKSA-N 0 0 305.378 0.689 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000116115889 395842265 /nfs/dbraw/zinc/84/22/65/395842265.db2.gz HMRPOLZIYQXUNN-KGLIPLIRSA-N 0 0 304.394 0.995 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116228902 395842773 /nfs/dbraw/zinc/84/27/73/395842773.db2.gz VSZHHLWPDDPFSC-WCQYABFASA-N 0 0 307.398 0.963 10 0 DCAERN CC1(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)COC1 ZINC000116348779 395844104 /nfs/dbraw/zinc/84/41/04/395844104.db2.gz AUZQMSRQOUXMNM-UHFFFAOYSA-N 0 0 310.375 0.287 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000116782224 395845601 /nfs/dbraw/zinc/84/56/01/395845601.db2.gz HDOLMHPGOXCDJO-KBPBESRZSA-N 0 0 319.409 0.612 10 0 DCAERN CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116829964 395846475 /nfs/dbraw/zinc/84/64/75/395846475.db2.gz JXEXQNIVGDDDON-YPMHNXCESA-N 0 0 318.439 0.874 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2noc3c2CCCC3)C1 ZINC000116834146 395846985 /nfs/dbraw/zinc/84/69/85/395846985.db2.gz RQUACAGKCVJMMS-SECBINFHSA-N 0 0 313.379 0.317 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000116833265 395847070 /nfs/dbraw/zinc/84/70/70/395847070.db2.gz PZKNWNQEUPYRIZ-JQWIXIFHSA-N 0 0 310.375 0.313 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000116835319 395847758 /nfs/dbraw/zinc/84/77/58/395847758.db2.gz IESPIZODJOLDMC-CYBMUJFWSA-N 0 0 324.402 0.800 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000116982077 395850168 /nfs/dbraw/zinc/85/01/68/395850168.db2.gz LGCSTEXPERCDEG-JTQLQIEISA-N 0 0 308.363 0.327 10 0 DCAERN COCCN1CCN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C ZINC000117292223 395852230 /nfs/dbraw/zinc/85/22/30/395852230.db2.gz QRKAOWMCXLJUDF-LLVKDONJSA-N 0 0 310.398 0.530 10 0 DCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000270636657 395792348 /nfs/dbraw/zinc/79/23/48/395792348.db2.gz NLIAEUMQLJDUDG-UFBFGSQYSA-N 0 0 324.358 0.368 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1Cc1noc2c1CCCC2 ZINC000108850987 395793688 /nfs/dbraw/zinc/79/36/88/395793688.db2.gz DDRUELRFDCEBGB-LBPRGKRZSA-N 0 0 307.350 0.417 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000194343573 395794354 /nfs/dbraw/zinc/79/43/54/395794354.db2.gz VJAJDVNETHBECI-IINYFYTJSA-N 0 0 314.345 0.037 10 0 DCAERN CC1CCC(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)CC1 ZINC000108990595 395795556 /nfs/dbraw/zinc/79/55/56/395795556.db2.gz SLYTXPISNYLFNO-MOENNCHZSA-N 0 0 309.410 0.794 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nccn1C(F)F ZINC000194601855 395800425 /nfs/dbraw/zinc/80/04/25/395800425.db2.gz QLRNPZRKHXGOIT-MRVPVSSYSA-N 0 0 304.322 0.816 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCCC(C)(C)CO)cn1 ZINC000122697871 395889135 /nfs/dbraw/zinc/88/91/35/395889135.db2.gz CXXQALTVVGQGQP-UHFFFAOYSA-N 0 0 311.386 0.549 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1nc(C)no1 ZINC000234586136 395889221 /nfs/dbraw/zinc/88/92/21/395889221.db2.gz NJRTVDHMVMESOK-IUCAKERBSA-N 0 0 303.340 0.139 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)C[S@@](C)=O ZINC000234585549 395889491 /nfs/dbraw/zinc/88/94/91/395889491.db2.gz RFGVNFJRHJPYQA-ULGCULRUSA-N 0 0 311.425 0.015 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1nc(C)no1 ZINC000234620923 395889977 /nfs/dbraw/zinc/88/99/77/395889977.db2.gz NJRTVDHMVMESOK-RKDXNWHRSA-N 0 0 303.340 0.139 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCC1CCOCC1 ZINC000234613644 395890011 /nfs/dbraw/zinc/89/00/11/395890011.db2.gz GAGWGBWBTKLXCX-NWDGAFQWSA-N 0 0 305.396 0.674 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H](C)O1 ZINC000123924933 395898407 /nfs/dbraw/zinc/89/84/07/395898407.db2.gz NLWCYVLJCMJFOU-KOLCDFICSA-N 0 0 323.374 0.518 10 0 DCAERN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCNC(=O)CC1 ZINC000124623420 395901575 /nfs/dbraw/zinc/90/15/75/395901575.db2.gz SECNKZZWCBZQAE-UHFFFAOYSA-N 0 0 302.309 0.974 10 0 DCAERN CN1CCc2ncnc(N3CC[C@@H](NC(=O)NC4CC4)C3)c2C1 ZINC000273572097 395931424 /nfs/dbraw/zinc/93/14/24/395931424.db2.gz AISWECYEKSANDI-GFCCVEGCSA-N 0 0 316.409 0.505 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1F ZINC000130131768 395921773 /nfs/dbraw/zinc/92/17/73/395921773.db2.gz ZCXFXIUQSWBSDN-SNVBAGLBSA-N 0 0 310.325 0.811 10 0 DCAERN CCCC(=O)N[C@H]1CCCN([C@H](C)C(=O)NCCCOC)C1 ZINC000245201929 395926586 /nfs/dbraw/zinc/92/65/86/395926586.db2.gz VVXPFNDETQSWAS-KGLIPLIRSA-N 0 0 313.442 0.908 10 0 DCAERN Cc1nnc(CN2CCCC[C@H]2CNS(C)(=O)=O)n1C ZINC000052578745 395865876 /nfs/dbraw/zinc/86/58/76/395865876.db2.gz SOKWHEXKZPBGLR-NSHDSACASA-N 0 0 301.416 0.027 10 0 DCAERN CC[C@@H](CO)[NH+]1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119445166 395870813 /nfs/dbraw/zinc/87/08/13/395870813.db2.gz STLDOWVBFDQPJH-INIZCTEOSA-N 0 0 321.421 0.623 10 0 DCAERN COc1c(CN2CCN(CC(=O)NC(C)C)CC2)c(C)nn1C ZINC000119593555 395872890 /nfs/dbraw/zinc/87/28/90/395872890.db2.gz HJZTZZVHPOFZGO-UHFFFAOYSA-N 0 0 323.441 0.379 10 0 DCAERN Cc1ccc2c(O)c(C(=O)NCC(=O)NC3CC3)cnc2n1 ZINC000119805702 395876370 /nfs/dbraw/zinc/87/63/70/395876370.db2.gz NGLVPBDKAUGMNL-UHFFFAOYSA-N 0 0 300.318 0.652 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@@H](CO)O1 ZINC000230017375 395877324 /nfs/dbraw/zinc/87/73/24/395877324.db2.gz IXHLFDGIONPETC-RNCFNFMXSA-N 0 0 300.305 0.985 10 0 DCAERN CN(C)c1ccccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000119873820 395878314 /nfs/dbraw/zinc/87/83/14/395878314.db2.gz ZKDQULBLMMAGJD-CYBMUJFWSA-N 0 0 322.409 0.567 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN(C)CC3)[C@@H]2C1 ZINC000245549204 395931953 /nfs/dbraw/zinc/93/19/53/395931953.db2.gz ZCIJUNJYDOZMKA-KFWWJZLASA-N 0 0 311.426 0.029 10 0 DCAERN COCCCOCCN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000245596619 395932134 /nfs/dbraw/zinc/93/21/34/395932134.db2.gz NITCQMNWFYLSIN-AWEZNQCLSA-N 0 0 324.425 0.927 10 0 DCAERN CC(C)[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)C(N)=O ZINC000134690516 395933876 /nfs/dbraw/zinc/93/38/76/395933876.db2.gz KCXCBFWHBFAWFH-GFCCVEGCSA-N 0 0 316.365 0.576 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](C)S(=O)(=O)CC2)on1 ZINC000248851138 395998595 /nfs/dbraw/zinc/99/85/95/395998595.db2.gz TWYXUEWRSVLBKU-MNOVXSKESA-N 0 0 315.395 0.819 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)no1 ZINC000245759477 395936060 /nfs/dbraw/zinc/93/60/60/395936060.db2.gz FFAGIAMIJTUNNJ-YUSALJHKSA-N 0 0 305.334 0.995 10 0 DCAERN Cc1nc(CNC(=O)CCn2c3ccccc3n(C)c2=O)no1 ZINC000134995047 395936086 /nfs/dbraw/zinc/93/60/86/395936086.db2.gz GCQJVSVATWBZBA-UHFFFAOYSA-N 0 0 315.333 0.738 10 0 DCAERN Cc1nc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)no1 ZINC000135009754 395936273 /nfs/dbraw/zinc/93/62/73/395936273.db2.gz BXVCUZSKXNBAFG-UHFFFAOYSA-N 0 0 313.321 0.656 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135053002 395937417 /nfs/dbraw/zinc/93/74/17/395937417.db2.gz JCSQGBQVZJJRNM-UHFFFAOYSA-N 0 0 315.381 0.570 10 0 DCAERN CN(CCn1cccn1)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000246042569 395940146 /nfs/dbraw/zinc/94/01/46/395940146.db2.gz AOQWAFYLZXFNLZ-ZDUSSCGKSA-N 0 0 302.382 0.771 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000135510825 395940162 /nfs/dbraw/zinc/94/01/62/395940162.db2.gz QWAOACZWWYYPIS-AAEUAGOBSA-N 0 0 322.390 0.864 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)C(C)C ZINC000246159074 395942577 /nfs/dbraw/zinc/94/25/77/395942577.db2.gz GAPASWBJGCNDDG-YNEHKIRRSA-N 0 0 300.399 0.847 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246161981 395943087 /nfs/dbraw/zinc/94/30/87/395943087.db2.gz DZIYGJLUKADWML-WOPDTQHZSA-N 0 0 309.370 0.086 10 0 DCAERN C[C@@H](O)CCNC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000136017668 395943440 /nfs/dbraw/zinc/94/34/40/395943440.db2.gz AKEVLKKUFIKKHB-SNVBAGLBSA-N 0 0 304.350 0.570 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000136544309 395947943 /nfs/dbraw/zinc/94/79/43/395947943.db2.gz DWBMOSWPQWRNAK-TZMCWYRMSA-N 0 0 320.393 0.265 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453435 395951048 /nfs/dbraw/zinc/95/10/48/395951048.db2.gz OVQSVHKVZBXMEY-UONOGXRCSA-N 0 0 311.357 0.489 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521329 395952090 /nfs/dbraw/zinc/95/20/90/395952090.db2.gz PHJPSCLDYZONFV-DGTMBMJNSA-N 0 0 311.426 0.644 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCO[C@]4(CCOC4)C3)c(C)n2n1 ZINC000274487824 395952217 /nfs/dbraw/zinc/95/22/17/395952217.db2.gz SENGRVQRBQLBLF-MRXNPFEDSA-N 0 0 316.361 0.978 10 0 DCAERN Cc1cccc(NC(=O)N2CC(=O)C[C@H]2C(=O)N2CC(O)C2)c1 ZINC000139624774 395955554 /nfs/dbraw/zinc/95/55/54/395955554.db2.gz SZILGJCJFXNDMP-AWEZNQCLSA-N 0 0 317.345 0.373 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H]2CCC(=O)N(C)C2)CC1=O ZINC000246714918 395956343 /nfs/dbraw/zinc/95/63/43/395956343.db2.gz UGVVTSKTHWCLFR-XQQFMLRXSA-N 0 0 309.410 0.761 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1(CO)CC1 ZINC000143168463 395960690 /nfs/dbraw/zinc/96/06/90/395960690.db2.gz IEENGUHZJUPSPD-UHFFFAOYSA-N 0 0 303.336 0.486 10 0 DCAERN CSc1nccc(-c2n[nH]c3nc(NCCO)ncc32)n1 ZINC000143415449 395961310 /nfs/dbraw/zinc/96/13/10/395961310.db2.gz KMOBWWJPXAHTEP-UHFFFAOYSA-N 0 0 303.351 0.936 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cn1 ZINC000246960463 395961693 /nfs/dbraw/zinc/96/16/93/395961693.db2.gz IUXHEWFLETYSSB-NWDGAFQWSA-N 0 0 306.366 0.458 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247037554 395964281 /nfs/dbraw/zinc/96/42/81/395964281.db2.gz DMZKQVJZOXHFEW-LSDHHAIUSA-N 0 0 315.458 0.570 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@@H]2C1 ZINC000247140495 395968157 /nfs/dbraw/zinc/96/81/57/395968157.db2.gz KYGZRFVSKFJCLC-NEPJUHHUSA-N 0 0 318.464 0.213 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)C1 ZINC000247243883 395969347 /nfs/dbraw/zinc/96/93/47/395969347.db2.gz YFVCMFRXGYYCDH-CWRNSKLLSA-N 0 0 323.437 0.424 10 0 DCAERN CCOc1ccccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150744385 395971760 /nfs/dbraw/zinc/97/17/60/395971760.db2.gz RFORZWCCRYZNAG-UHFFFAOYSA-N 0 0 303.318 0.735 10 0 DCAERN CN(CCC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000150888869 395974128 /nfs/dbraw/zinc/97/41/28/395974128.db2.gz QGFBOVIMVGMABW-LLVKDONJSA-N 0 0 323.397 0.966 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CC[C@H](O)C3)C2)cn1 ZINC000248971884 396000985 /nfs/dbraw/zinc/00/09/85/396000985.db2.gz SJKIJJZBPQMEDT-YDHLFZDLSA-N 0 0 321.425 0.849 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000247595288 395976576 /nfs/dbraw/zinc/97/65/76/395976576.db2.gz OCDVIIQNEFRGMO-NWDGAFQWSA-N 0 0 310.423 0.559 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cnc2ccccn2c1=O ZINC000151091650 395978431 /nfs/dbraw/zinc/97/84/31/395978431.db2.gz OBBAPIDMEVXATI-AAEUAGOBSA-N 0 0 301.346 0.975 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000248999397 396001349 /nfs/dbraw/zinc/00/13/49/396001349.db2.gz YOSSBUYIOQQNGI-ZWKOPEQDSA-N 0 0 303.355 0.956 10 0 DCAERN Cc1cc(=O)[nH]c([C@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790291 395997103 /nfs/dbraw/zinc/99/71/03/395997103.db2.gz XLLIXMNOSXNHQO-VHSXEESVSA-N 0 0 300.384 0.175 10 0 DCAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NCCCOC)CCO2)cn1 ZINC000248795180 395997147 /nfs/dbraw/zinc/99/71/47/395997147.db2.gz OSQPCKRSMWRMIO-HIFRSBDPSA-N 0 0 324.425 0.818 10 0 DCAERN Cc1cc(F)ccc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000153421695 396023850 /nfs/dbraw/zinc/02/38/50/396023850.db2.gz YYSCPGLVYLGCTM-INIZCTEOSA-N 0 0 310.369 0.947 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000252666742 396024444 /nfs/dbraw/zinc/02/44/44/396024444.db2.gz BOUBDOJAVJUNPI-ISTVAULSSA-N 0 0 312.391 0.462 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c1C ZINC000276730897 396024613 /nfs/dbraw/zinc/02/46/13/396024613.db2.gz QWCRHCSXXWQRFD-GFCCVEGCSA-N 0 0 302.382 0.889 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c1C ZINC000276730900 396024651 /nfs/dbraw/zinc/02/46/51/396024651.db2.gz QWCRHCSXXWQRFD-LBPRGKRZSA-N 0 0 302.382 0.889 10 0 DCAERN CC(=O)N(C)c1ccccc1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000154042843 396029659 /nfs/dbraw/zinc/02/96/59/396029659.db2.gz QNHGMLOGGFXGGS-NSHDSACASA-N 0 0 320.393 0.674 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067716966 396031926 /nfs/dbraw/zinc/03/19/26/396031926.db2.gz KECVILDOBXMASO-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN O=C(N[C@H](CO)Cc1ccccc1)C(=S)N1CCOCC1 ZINC000256030656 396033652 /nfs/dbraw/zinc/03/36/52/396033652.db2.gz QYYHMBUEJUFSDZ-ZDUSSCGKSA-N 0 0 308.403 0.366 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000155354513 396050463 /nfs/dbraw/zinc/05/04/63/396050463.db2.gz ZLAOOQZTQCYBGU-CWKPULSASA-N 0 0 313.427 0.439 10 0 DCAERN Cc1ccccc1OC[C@H](O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155415588 396050843 /nfs/dbraw/zinc/05/08/43/396050843.db2.gz PBYRRCLRYBHVAH-ZIAGYGMSSA-N 0 0 313.419 0.854 10 0 DCAERN CC[C@H](NC(=O)[C@@H](C)C1CCOCC1)C(=O)N1CCOCC1 ZINC000155600457 396054748 /nfs/dbraw/zinc/05/47/48/396054748.db2.gz PHWLTICRLHPFKX-JSGCOSHPSA-N 0 0 312.410 0.803 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1cnn2ccc(C)nc12 ZINC000068762436 396063049 /nfs/dbraw/zinc/06/30/49/396063049.db2.gz IDLHBMZJBDCMJU-UHFFFAOYSA-N 0 0 319.365 0.262 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000276506487 396005051 /nfs/dbraw/zinc/00/50/51/396005051.db2.gz QKADZEUCWFMWEQ-CYBMUJFWSA-N 0 0 317.172 0.985 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H](O)c1c(F)cccc1F ZINC000249348320 396006216 /nfs/dbraw/zinc/00/62/16/396006216.db2.gz JZAMBWNOBROZDD-SCRDCRAPSA-N 0 0 315.316 0.997 10 0 DCAERN Cc1cc(C(=O)NCCS(=O)(=O)NCC2CCC2)cnn1 ZINC000276535438 396007663 /nfs/dbraw/zinc/00/76/63/396007663.db2.gz NZTSKVNNMVOLTH-UHFFFAOYSA-N 0 0 312.395 0.234 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O)N1CCOCC1 ZINC000249502145 396008867 /nfs/dbraw/zinc/00/88/67/396008867.db2.gz BJEYZFKRFYIOSZ-DAXOMENPSA-N 0 0 319.405 0.665 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000152561758 396012210 /nfs/dbraw/zinc/01/22/10/396012210.db2.gz YPYYLWFEBLPCDV-SNVBAGLBSA-N 0 0 308.769 0.709 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000276593727 396013446 /nfs/dbraw/zinc/01/34/46/396013446.db2.gz VASPASRQSGXIAA-VXGBXAGGSA-N 0 0 315.381 0.612 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@@H](O)CN1CCCC1=O)[C@@H]2C ZINC000251595163 396016575 /nfs/dbraw/zinc/01/65/75/396016575.db2.gz FPPGXYGTBDFHJM-CHWSQXEVSA-N 0 0 321.425 0.761 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251849643 396017676 /nfs/dbraw/zinc/01/76/76/396017676.db2.gz NJZXPRPOECGBER-YJNKXOJESA-N 0 0 317.389 0.950 10 0 DCAERN CN1C(=O)CS(=O)(=O)C12CCN(C(=O)CC(C)(C)C)CC2 ZINC000169779386 396091902 /nfs/dbraw/zinc/09/19/02/396091902.db2.gz FBMSRSDGHSOPPN-UHFFFAOYSA-N 0 0 316.423 0.628 10 0 DCAERN COc1ccc(N2CC[C@@H](NS(=O)(=O)C3CC3)C2=O)cc1 ZINC000169793016 396094081 /nfs/dbraw/zinc/09/40/81/396094081.db2.gz LOGHYLODZQACNU-CYBMUJFWSA-N 0 0 310.375 0.882 10 0 DCAERN COC(=O)c1cn(C[C@H](O)c2cc(OC)ccc2OC)nn1 ZINC000070459926 396101875 /nfs/dbraw/zinc/10/18/75/396101875.db2.gz PZDHIZQBNIHHRT-LBPRGKRZSA-N 0 0 307.306 0.816 10 0 DCAERN Cc1cccc(NC(=O)C[S@@](=O)CCS(C)(=O)=O)c1 ZINC000170985222 396103162 /nfs/dbraw/zinc/10/31/62/396103162.db2.gz HDRVWNDHCZMMMD-SFHVURJKSA-N 0 0 303.405 0.727 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000171294583 396113502 /nfs/dbraw/zinc/11/35/02/396113502.db2.gz KBLDNJOOPSSKAP-AWEZNQCLSA-N 0 0 305.378 0.449 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706019 396122704 /nfs/dbraw/zinc/12/27/04/396122704.db2.gz JTXPGCLNSZXLAE-AWEZNQCLSA-N 0 0 316.365 0.719 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)n(C)n1 ZINC000278454818 396125646 /nfs/dbraw/zinc/12/56/46/396125646.db2.gz RGCXDBBZTTUFCL-KBPBESRZSA-N 0 0 321.425 0.144 10 0 DCAERN NC(=O)c1cc(C(=O)N[C@@H]2CCCOC2)nn1-c1ccccc1 ZINC000171868721 396126979 /nfs/dbraw/zinc/12/69/79/396126979.db2.gz AGBFLQUTSOEYLS-LLVKDONJSA-N 0 0 314.345 0.880 10 0 DCAERN Cn1cc(NC(=O)Cc2cccc(Cl)c2)c(=O)n(C)c1=O ZINC000173084761 396134323 /nfs/dbraw/zinc/13/43/23/396134323.db2.gz AVWROXCKYPVJHF-UHFFFAOYSA-N 0 0 307.737 0.919 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173896055 396136488 /nfs/dbraw/zinc/13/64/88/396136488.db2.gz AMZBOAOQOJLYQD-CQSZACIVSA-N 0 0 319.471 0.760 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000175323479 396140168 /nfs/dbraw/zinc/14/01/68/396140168.db2.gz UNEWLQPVIPQUFF-CYBMUJFWSA-N 0 0 321.425 0.876 10 0 DCAERN CN1CCN(c2nc[n-]c(=O)c2I)CC1 ZINC000162142476 396078948 /nfs/dbraw/zinc/07/89/48/396078948.db2.gz NCJMYJPHTOGPTM-UHFFFAOYSA-N 0 0 320.134 0.126 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)C1 ZINC000162117588 396079049 /nfs/dbraw/zinc/07/90/49/396079049.db2.gz PCPKMRSIFKRTFN-RYUDHWBXSA-N 0 0 321.381 0.272 10 0 DCAERN Cn1cnc2c1CCN(CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)C2 ZINC000069490019 396080577 /nfs/dbraw/zinc/08/05/77/396080577.db2.gz UPIJYPJXNRRKOL-JKSUJKDBSA-N 0 0 318.421 0.948 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000277666706 396080987 /nfs/dbraw/zinc/08/09/87/396080987.db2.gz XCJYMWNKQRKZAW-CYBMUJFWSA-N 0 0 303.362 0.930 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)CSCC(N)=O)CC1 ZINC000162476398 396081629 /nfs/dbraw/zinc/08/16/29/396081629.db2.gz MSCFFLPAQGICPO-UHFFFAOYSA-N 0 0 310.423 0.420 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263219409 396206495 /nfs/dbraw/zinc/20/64/95/396206495.db2.gz LPCLWGUMQDYNNG-MNOVXSKESA-N 0 0 300.309 0.317 10 0 DCAERN Cc1nc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)s1 ZINC000178749272 396207134 /nfs/dbraw/zinc/20/71/34/396207134.db2.gz LCULMGJJCCFCPH-UHFFFAOYSA-N 0 0 308.367 0.692 10 0 DCAERN CCCN(CC(=O)NC)S(=O)(=O)Cc1cccc(OC)c1 ZINC000076686124 396207940 /nfs/dbraw/zinc/20/79/40/396207940.db2.gz CGTMSJNLIFQJLJ-UHFFFAOYSA-N 0 0 314.407 0.983 10 0 DCAERN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000263257043 396209115 /nfs/dbraw/zinc/20/91/15/396209115.db2.gz QOTDZKKFBYTHRC-LBPRGKRZSA-N 0 0 319.396 0.800 10 0 DCAERN O=C(CN1Cc2ccccc2C1=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278983652 396144943 /nfs/dbraw/zinc/14/49/43/396144943.db2.gz QBCMHJHCYOQQKZ-KRWDZBQOSA-N 0 0 313.357 0.381 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@]2(O)CCO[C@H]2C)cc1 ZINC000279053066 396149856 /nfs/dbraw/zinc/14/98/56/396149856.db2.gz AZPJIOIQUXLMQG-ZBEGNZNMSA-N 0 0 306.362 0.939 10 0 DCAERN CC[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)OC ZINC000176190285 396150558 /nfs/dbraw/zinc/15/05/58/396150558.db2.gz LQNCWQXOOBDVKA-CABCVRRESA-N 0 0 320.389 0.955 10 0 DCAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000176153767 396150876 /nfs/dbraw/zinc/15/08/76/396150876.db2.gz QMDNNPAAHQHAQF-LLVKDONJSA-N 0 0 322.409 0.436 10 0 DCAERN COc1ccnc(N2CCN(c3cc(OC)ncn3)CC2)n1 ZINC000178810450 396209987 /nfs/dbraw/zinc/20/99/87/396209987.db2.gz WGKZJLIMAJEQSR-UHFFFAOYSA-N 0 0 302.338 0.610 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc2c(s1)COCC2 ZINC000176465886 396155752 /nfs/dbraw/zinc/15/57/52/396155752.db2.gz PNDQGKYQVZZPCT-VIFPVBQESA-N 0 0 310.379 0.958 10 0 DCAERN COc1ncc(NC(=O)[C@H]2CC(F)(F)CN2)cc1C(N)=O ZINC000263268863 396210430 /nfs/dbraw/zinc/21/04/30/396210430.db2.gz RXXFKOJYJZMFFP-MRVPVSSYSA-N 0 0 300.265 0.125 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCCCCC1 ZINC000074316236 396163710 /nfs/dbraw/zinc/16/37/10/396163710.db2.gz IXFGBIMTWVESNH-LBPRGKRZSA-N 0 0 303.428 0.142 10 0 DCAERN COc1ncc(NC(=O)[C@@H]2CC(F)(F)CN2)cc1C(N)=O ZINC000263268865 396210514 /nfs/dbraw/zinc/21/05/14/396210514.db2.gz RXXFKOJYJZMFFP-QMMMGPOBSA-N 0 0 300.265 0.125 10 0 DCAERN Cn1c(=O)cc(CN2CCO[C@@H](c3ccsc3)C2)n(C)c1=O ZINC000176988014 396164329 /nfs/dbraw/zinc/16/43/29/396164329.db2.gz OSWXFXCJZWNLSF-CYBMUJFWSA-N 0 0 321.402 0.719 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C[C@H](C)O)[C@H](C)CO)cc1 ZINC000279335541 396166697 /nfs/dbraw/zinc/16/66/97/396166697.db2.gz UKDFFBAZAVDHDB-NEPJUHHUSA-N 0 0 308.378 0.873 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000177172620 396168163 /nfs/dbraw/zinc/16/81/63/396168163.db2.gz BPODMZBDOJXGIF-LBPRGKRZSA-N 0 0 314.411 0.122 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@H](O)C3)C2)cn1 ZINC000074612120 396168924 /nfs/dbraw/zinc/16/89/24/396168924.db2.gz FBVAKQZNQWAVQT-JSGCOSHPSA-N 0 0 307.398 0.555 10 0 DCAERN C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@@H]1N1CCOCC1 ZINC000177272966 396170865 /nfs/dbraw/zinc/17/08/65/396170865.db2.gz ZFGMFSJFIDYFBE-ZBFHGGJFSA-N 0 0 321.421 0.891 10 0 DCAERN CNC(=O)c1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nn1 ZINC000074744873 396171440 /nfs/dbraw/zinc/17/14/40/396171440.db2.gz LLVXYSRQJYPQJQ-QMMMGPOBSA-N 0 0 303.288 0.885 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000074746196 396171477 /nfs/dbraw/zinc/17/14/77/396171477.db2.gz GXDYEGPPNFDBSG-GFCCVEGCSA-N 0 0 319.409 0.969 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C4CC4)CC3)cc2[nH]1 ZINC000074766222 396171970 /nfs/dbraw/zinc/17/19/70/396171970.db2.gz RNTPVXIDOAZBGC-UHFFFAOYSA-N 0 0 322.390 0.325 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3nc(C)ns3)CC2)nn1 ZINC000074766739 396172175 /nfs/dbraw/zinc/17/21/75/396172175.db2.gz UVUJOKUFJKUOIX-UHFFFAOYSA-N 0 0 319.394 0.323 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000178845173 396211081 /nfs/dbraw/zinc/21/10/81/396211081.db2.gz JEKBHVDPKASDAL-ZDUSSCGKSA-N 0 0 320.393 0.419 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000177460773 396176435 /nfs/dbraw/zinc/17/64/35/396176435.db2.gz VIDUDLSKAQJOAN-JTQLQIEISA-N 0 0 314.411 0.274 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000177610908 396179491 /nfs/dbraw/zinc/17/94/91/396179491.db2.gz ISGHLUOTGMKNFN-VXGBXAGGSA-N 0 0 323.368 0.678 10 0 DCAERN COc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177625082 396180489 /nfs/dbraw/zinc/18/04/89/396180489.db2.gz FDTSBDCJRIQSHW-NSHDSACASA-N 0 0 315.333 0.356 10 0 DCAERN CC(C)CCc1nc(CS(=O)(=O)C[C@@H](O)CO)cs1 ZINC000177671434 396181142 /nfs/dbraw/zinc/18/11/42/396181142.db2.gz CTFGBINYWPJOTJ-NSHDSACASA-N 0 0 307.437 1.000 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000075635783 396183337 /nfs/dbraw/zinc/18/33/37/396183337.db2.gz XISXKWWOXATJGB-ZDUSSCGKSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cccn1)[C@H](C)CO ZINC000177793227 396183785 /nfs/dbraw/zinc/18/37/85/396183785.db2.gz AGSJBDUYIWXSEA-VXGBXAGGSA-N 0 0 316.361 0.944 10 0 DCAERN CS(=O)(=O)Cc1nc(CN2CCN(C3CC3)CC2)cs1 ZINC000075673748 396185220 /nfs/dbraw/zinc/18/52/20/396185220.db2.gz NIFUNFRTMILAOG-UHFFFAOYSA-N 0 0 315.464 0.968 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263294191 396211859 /nfs/dbraw/zinc/21/18/59/396211859.db2.gz WCHGNITYHVEWRZ-VHSXEESVSA-N 0 0 313.352 0.830 10 0 DCAERN CC(C)N1C(=O)CN(CC(=O)NC(=O)NC2CC2)CC1(C)C ZINC000075924833 396190357 /nfs/dbraw/zinc/19/03/57/396190357.db2.gz ZFPUZBLTQQYXNY-UHFFFAOYSA-N 0 0 310.398 0.306 10 0 DCAERN O=C1NCC[C@H]1N1CCN(c2ncnc3sccc32)CC1 ZINC000178289344 396193030 /nfs/dbraw/zinc/19/30/30/396193030.db2.gz RWBJIEUIOUFRTC-LLVKDONJSA-N 0 0 303.391 0.702 10 0 DCAERN CN1C(=O)COc2ccc(NC(=O)[C@H]3CC(F)(F)CN3)cc21 ZINC000262975808 396195371 /nfs/dbraw/zinc/19/53/71/396195371.db2.gz MGVLDXTVZGCOJW-SECBINFHSA-N 0 0 311.288 0.978 10 0 DCAERN O=C(NCCCc1ccccn1)N1CCN2C(=O)NC[C@H]2C1 ZINC000178424791 396195460 /nfs/dbraw/zinc/19/54/60/396195460.db2.gz GYIXLGPPXLNGCJ-ZDUSSCGKSA-N 0 0 303.366 0.433 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000263008255 396197965 /nfs/dbraw/zinc/19/79/65/396197965.db2.gz PLNCUZDYBKKQMR-LBPRGKRZSA-N 0 0 311.332 0.838 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181256914 396237980 /nfs/dbraw/zinc/23/79/80/396237980.db2.gz MWUNQJGUQRDKHF-UWVGGRQHSA-N 0 0 317.411 0.022 10 0 DCAERN COc1ccc(F)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181786259 396242219 /nfs/dbraw/zinc/24/22/19/396242219.db2.gz MGLVQOKBTSZORH-UHFFFAOYSA-N 0 0 321.312 0.571 10 0 DCAERN O=C(NCCCNc1ccccn1)NCCCn1ccnn1 ZINC000182714046 396252420 /nfs/dbraw/zinc/25/24/20/396252420.db2.gz DGMYBQLHOXHCIV-UHFFFAOYSA-N 0 0 303.370 0.865 10 0 DCAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000264075042 396254197 /nfs/dbraw/zinc/25/41/97/396254197.db2.gz XPZLLHAGJCURRP-OLZOCXBDSA-N 0 0 319.361 0.633 10 0 DCAERN COC1CCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1 ZINC000078804411 396254675 /nfs/dbraw/zinc/25/46/75/396254675.db2.gz SVLRUPVOSGRUSP-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)NCCCn1ccnn1 ZINC000182923275 396256746 /nfs/dbraw/zinc/25/67/46/396256746.db2.gz VDRHKUOBZZCWGS-CYBMUJFWSA-N 0 0 307.398 0.966 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCCc1nnc[nH]1)c1cccs1 ZINC000080583545 396282395 /nfs/dbraw/zinc/28/23/95/396282395.db2.gz ARTHUQZKBBAWEQ-JTQLQIEISA-N 0 0 307.379 0.792 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1-n1cnnn1 ZINC000183277420 396265858 /nfs/dbraw/zinc/26/58/58/396265858.db2.gz LDHZVEIJDAVHAC-NXEZZACHSA-N 0 0 305.338 0.418 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000079894028 396271371 /nfs/dbraw/zinc/27/13/71/396271371.db2.gz OSEZQIJISRLUEB-GFCCVEGCSA-N 0 0 317.267 0.854 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)O1 ZINC000183618109 396271731 /nfs/dbraw/zinc/27/17/31/396271731.db2.gz RMRWSISGFDREMV-SMDDNHRTSA-N 0 0 320.393 0.513 10 0 DCAERN O=S(=O)(CC[NH2+][C@H]1CCCSC1)NC[C@@H]1CCCCO1 ZINC000183601108 396271843 /nfs/dbraw/zinc/27/18/43/396271843.db2.gz VJQQONNFWCGABV-STQMWFEESA-N 0 0 322.496 0.960 10 0 DCAERN Cc1ccc2c(O)c(C(=O)NCC(=O)NCC3CC3)cnc2n1 ZINC000183613950 396272133 /nfs/dbraw/zinc/27/21/33/396272133.db2.gz HQLOAEIIJPMLMS-UHFFFAOYSA-N 0 0 314.345 0.900 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)c2ccc3nnn(C)c3c2)n1 ZINC000183705446 396273186 /nfs/dbraw/zinc/27/31/86/396273186.db2.gz SAVDOZCUSOHZHL-UHFFFAOYSA-N 0 0 314.305 0.590 10 0 DCAERN Cn1ccnc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1=O ZINC000183789538 396275521 /nfs/dbraw/zinc/27/55/21/396275521.db2.gz NIKJRTQKMVYDLN-RYUDHWBXSA-N 0 0 300.318 0.560 10 0 DCAERN COC(=O)c1coc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000183813063 396275841 /nfs/dbraw/zinc/27/58/41/396275841.db2.gz SQERVVZDQRYCNS-DGCLKSJQSA-N 0 0 322.361 0.859 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CC(=O)N(C)[C@@H](C)C1 ZINC000282309320 396279694 /nfs/dbraw/zinc/27/96/94/396279694.db2.gz SZMNXWOQALALPK-NSHDSACASA-N 0 0 303.362 0.990 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@H]1CCCC[C@H]1O ZINC000077154437 396213369 /nfs/dbraw/zinc/21/33/69/396213369.db2.gz TZHDISOTMGUPDP-CHWSQXEVSA-N 0 0 318.377 0.553 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000178924429 396215385 /nfs/dbraw/zinc/21/53/85/396215385.db2.gz WKNIZIDAVNZEBX-RYUDHWBXSA-N 0 0 312.414 0.492 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)c1cnn2c1CCCC2 ZINC000179076787 396220239 /nfs/dbraw/zinc/22/02/39/396220239.db2.gz HBYNZBNCLUUOQE-UHFFFAOYSA-N 0 0 314.411 0.277 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCOCCO)cc1CC ZINC000180053421 396231109 /nfs/dbraw/zinc/23/11/09/396231109.db2.gz OGLHMWQNVUKTAC-UHFFFAOYSA-N 0 0 308.378 0.875 10 0 DCAERN CC(=O)N(CCC(=O)NC(C)(C)C(N)=O)Cc1ccccc1 ZINC000263803173 396232490 /nfs/dbraw/zinc/23/24/90/396232490.db2.gz MFOLEXFYRAKUNM-UHFFFAOYSA-N 0 0 305.378 0.805 10 0 DCAERN Cc1nc2ccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2o1 ZINC000280974009 396233096 /nfs/dbraw/zinc/23/30/96/396233096.db2.gz RVPIJDQQWOJYHV-LLVKDONJSA-N 0 0 323.374 0.900 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000184936951 396311575 /nfs/dbraw/zinc/31/15/75/396311575.db2.gz AOTXOVIWGXXBII-QWHCGFSZSA-N 0 0 308.444 0.130 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2nc(C)no2)CC1 ZINC000185023971 396314433 /nfs/dbraw/zinc/31/44/33/396314433.db2.gz JSHVEXXIALMNJL-LBPRGKRZSA-N 0 0 311.386 0.019 10 0 DCAERN CNC(=O)CC(=O)N1CCN(Cc2ccccc2OC)CC1 ZINC000185033182 396315261 /nfs/dbraw/zinc/31/52/61/396315261.db2.gz JBMSXZOCWCFJDP-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN C[S@](=O)Cc1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000185076337 396316827 /nfs/dbraw/zinc/31/68/27/396316827.db2.gz GLILFXLZXIGJMM-NRFANRHFSA-N 0 0 306.391 0.977 10 0 DCAERN C[S@@](=O)Cc1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000185076318 396316917 /nfs/dbraw/zinc/31/69/17/396316917.db2.gz GLILFXLZXIGJMM-OAQYLSRUSA-N 0 0 306.391 0.977 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000185138084 396318689 /nfs/dbraw/zinc/31/86/89/396318689.db2.gz WETDRQCYIUYUEO-ZIAGYGMSSA-N 0 0 308.769 0.848 10 0 DCAERN O=S(=O)(c1ccc(CN2C[C@@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137980 396318743 /nfs/dbraw/zinc/31/87/43/396318743.db2.gz ZTGNEQVCCDLYGH-MNOVXSKESA-N 0 0 321.345 0.610 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCN(c2cccs2)C(=O)C1 ZINC000184096473 396285654 /nfs/dbraw/zinc/28/56/54/396285654.db2.gz GWYJJSUSVRCCOD-JTQLQIEISA-N 0 0 307.375 0.450 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282375598 396285752 /nfs/dbraw/zinc/28/57/52/396285752.db2.gz NHHMEUGXBFOAHP-JTQLQIEISA-N 0 0 317.345 0.517 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NC1(c2ccccc2)CCC1 ZINC000185145757 396319566 /nfs/dbraw/zinc/31/95/66/396319566.db2.gz JRCNQYZYCSSAIH-HUUCEWRRSA-N 0 0 304.390 0.610 10 0 DCAERN COCCN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@@H]1C ZINC000184323843 396291516 /nfs/dbraw/zinc/29/15/16/396291516.db2.gz VZRVOWAFSOVEKD-LBPRGKRZSA-N 0 0 318.381 0.914 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184380234 396293655 /nfs/dbraw/zinc/29/36/55/396293655.db2.gz LEKGQENHINCHNX-MWLCHTKSSA-N 0 0 303.362 0.978 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cnc2c(cnn2C)c1OC ZINC000184443063 396295938 /nfs/dbraw/zinc/29/59/38/396295938.db2.gz MXNNMPSXXVYSFW-UHFFFAOYSA-N 0 0 305.338 0.185 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184456480 396296290 /nfs/dbraw/zinc/29/62/90/396296290.db2.gz OWLAXYILLYYBFL-LHSJRXKWSA-N 0 0 318.439 0.735 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000184480322 396297221 /nfs/dbraw/zinc/29/72/21/396297221.db2.gz OSUHBACWNVSLBS-QWHCGFSZSA-N 0 0 308.444 0.442 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000081305414 396297943 /nfs/dbraw/zinc/29/79/43/396297943.db2.gz CZURYSCNIGDOGY-AWEZNQCLSA-N 0 0 311.426 0.424 10 0 DCAERN CC(C)(CC(N)=O)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000184621921 396300717 /nfs/dbraw/zinc/30/07/17/396300717.db2.gz KUUHJEPAJRPEME-UHFFFAOYSA-N 0 0 304.393 0.535 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000283067632 396303571 /nfs/dbraw/zinc/30/35/71/396303571.db2.gz UOXKTERPWFKAJG-ONGXEEELSA-N 0 0 300.366 0.837 10 0 DCAERN Cn1cccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1=O ZINC000081633558 396305313 /nfs/dbraw/zinc/30/53/13/396305313.db2.gz CHPMAYGUASCZGO-LLVKDONJSA-N 0 0 305.256 0.916 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccnc(OC)c2)CC1 ZINC000184789018 396305448 /nfs/dbraw/zinc/30/54/48/396305448.db2.gz YNQMWBQOBKXVDD-CQSZACIVSA-N 0 0 322.409 0.688 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)NCC1(CO)CCC1 ZINC000184823611 396308126 /nfs/dbraw/zinc/30/81/26/396308126.db2.gz VFPXYNUIIVXNLV-UHFFFAOYSA-N 0 0 316.365 0.624 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)NCC(F)(F)CO)ccc2o1 ZINC000184878883 396309550 /nfs/dbraw/zinc/30/95/50/396309550.db2.gz PHHORTQMGPXAGG-UHFFFAOYSA-N 0 0 313.260 0.819 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc12 ZINC000265364709 396309788 /nfs/dbraw/zinc/30/97/88/396309788.db2.gz YOPAKCGAOPXNPR-SNVBAGLBSA-N 0 0 323.378 0.030 10 0 DCAERN COc1cc(N2CCN(C(=O)Nc3ccnn3C)CC2)ncn1 ZINC000185415964 396327462 /nfs/dbraw/zinc/32/74/62/396327462.db2.gz RLCXQBFIILAPLN-UHFFFAOYSA-N 0 0 317.353 0.573 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3nnc(C)s3)CCO2)c1 ZINC000185433899 396327687 /nfs/dbraw/zinc/32/76/87/396327687.db2.gz RZTDSORVJXKJHA-NSHDSACASA-N 0 0 307.379 0.893 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000185220223 396321882 /nfs/dbraw/zinc/32/18/82/396321882.db2.gz AGUCJDJNSWPAGR-OAHLLOKOSA-N 0 0 320.414 0.990 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000185237720 396322404 /nfs/dbraw/zinc/32/24/04/396322404.db2.gz PTHLATGSFWYDAM-LBPRGKRZSA-N 0 0 324.429 0.168 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)[C@H](CO)CC(C)C)C1 ZINC000185662019 396332329 /nfs/dbraw/zinc/33/23/29/396332329.db2.gz RWNVTWNAZVFHOO-STQMWFEESA-N 0 0 314.430 0.839 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)[C@H](CO)CC(C)C)C1 ZINC000185662036 396332584 /nfs/dbraw/zinc/33/25/84/396332584.db2.gz RWNVTWNAZVFHOO-OLZOCXBDSA-N 0 0 314.430 0.839 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(F)cc3nc[nH]c32)CCS1(=O)=O ZINC000265689474 396337217 /nfs/dbraw/zinc/33/72/17/396337217.db2.gz MVQCGROQHHODTF-QMMMGPOBSA-N 0 0 311.338 0.961 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000185958899 396337630 /nfs/dbraw/zinc/33/76/30/396337630.db2.gz LARSVJYZRBPZBP-QMMMGPOBSA-N 0 0 311.288 0.322 10 0 DCAERN O=C(NC1CN(C[C@@H](O)COCc2ccco2)C1)C1CCC1 ZINC000185935873 396338003 /nfs/dbraw/zinc/33/80/03/396338003.db2.gz ILKUKNKRQCMFCE-CQSZACIVSA-N 0 0 308.378 0.758 10 0 DCAERN COC(=O)CCCc1nc(CN2CCCC[C@]2(C)C(N)=O)no1 ZINC000185968277 396338667 /nfs/dbraw/zinc/33/86/67/396338667.db2.gz NYACNMDBDIRMPX-OAHLLOKOSA-N 0 0 324.381 0.795 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186023105 396339428 /nfs/dbraw/zinc/33/94/28/396339428.db2.gz AIRSNLGKZYJPNW-ABAIWWIYSA-N 0 0 324.402 0.884 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186197837 396344336 /nfs/dbraw/zinc/34/43/36/396344336.db2.gz QXYSAPCNLWLLMG-LLVKDONJSA-N 0 0 303.366 0.072 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000186338156 396347978 /nfs/dbraw/zinc/34/79/78/396347978.db2.gz RRMCQKPILMMHJE-GXTWGEPZSA-N 0 0 318.439 0.686 10 0 DCAERN O=C1CN(C[C@@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091093 396341362 /nfs/dbraw/zinc/34/13/62/396341362.db2.gz BHZMSFZAOOTHQD-GFCCVEGCSA-N 0 0 306.391 0.654 10 0 DCAERN CC[C@H](CCO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186133163 396341978 /nfs/dbraw/zinc/34/19/78/396341978.db2.gz SRPVIEXTBCGYMF-LLVKDONJSA-N 0 0 323.397 0.999 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccon1 ZINC000186140447 396342703 /nfs/dbraw/zinc/34/27/03/396342703.db2.gz IYIHJDVKFLSORV-LLVKDONJSA-N 0 0 303.322 0.809 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000186320938 396347926 /nfs/dbraw/zinc/34/79/26/396347926.db2.gz UBJPUFUKJGPNHG-NSHDSACASA-N 0 0 324.406 0.085 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000285816028 396355456 /nfs/dbraw/zinc/35/54/56/396355456.db2.gz ZMKSFIBGOJVABS-SKDRFNHKSA-N 0 0 323.422 0.289 10 0 DCAERN CN1C(=O)N[C@@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000285826412 396356304 /nfs/dbraw/zinc/35/63/04/396356304.db2.gz PEQPZXBYPKPJFY-QLFBSQMISA-N 0 0 314.389 0.890 10 0 DCAERN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CC1(CO)CC1 ZINC000186823987 396359129 /nfs/dbraw/zinc/35/91/29/396359129.db2.gz VXPKLRMRXFXZML-JTQLQIEISA-N 0 0 318.377 0.888 10 0 DCAERN CCOC(=O)CN(C(=O)[C@@H](CCSC)NC(N)=O)C(C)C ZINC000038012940 285726415 /nfs/dbraw/zinc/72/64/15/285726415.db2.gz WVIMGKHDXOGDBX-SNVBAGLBSA-N 0 0 319.427 0.577 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCC(C)(CO)CC3)C2=O)n(C)n1 ZINC000186950415 396360974 /nfs/dbraw/zinc/36/09/74/396360974.db2.gz OQLHSWABXGZAOI-ZDUSSCGKSA-N 0 0 306.410 0.928 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000187102311 396363122 /nfs/dbraw/zinc/36/31/22/396363122.db2.gz URJSFYIJTQDEOZ-INIZCTEOSA-N 0 0 305.378 0.823 10 0 DCAERN CNC(=O)CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187122995 396363726 /nfs/dbraw/zinc/36/37/26/396363726.db2.gz RIMNDFBSSRUHKJ-UHFFFAOYSA-N 0 0 307.325 0.133 10 0 DCAERN CCN(C)C(=O)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000187347896 396367921 /nfs/dbraw/zinc/36/79/21/396367921.db2.gz IBGWLKYPSCYJEU-UHFFFAOYSA-N 0 0 303.326 0.262 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)n1 ZINC000187382635 396368726 /nfs/dbraw/zinc/36/87/26/396368726.db2.gz YGNDYOMZPRFFRA-INIZCTEOSA-N 0 0 320.393 0.849 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC[C@@H]1C ZINC000187862752 396375121 /nfs/dbraw/zinc/37/51/21/396375121.db2.gz KIERBLSTJKDONG-JOYOIKCWSA-N 0 0 317.349 0.325 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000286027524 396370466 /nfs/dbraw/zinc/37/04/66/396370466.db2.gz RHYLZKADIMCZHQ-WMLDXEAASA-N 0 0 318.373 1.000 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000187714990 396372946 /nfs/dbraw/zinc/37/29/46/396372946.db2.gz NSIUPTGZNVJMRK-UHFFFAOYSA-N 0 0 316.354 0.102 10 0 DCAERN CN1C[C@@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186405233 396349553 /nfs/dbraw/zinc/34/95/53/396349553.db2.gz NYMIFGAEMJFGJW-ZDUSSCGKSA-N 0 0 302.378 0.599 10 0 DCAERN CC(CO)(CO)NC(=O)Cc1ccc(Br)s1 ZINC000186464021 396350419 /nfs/dbraw/zinc/35/04/19/396350419.db2.gz HCWONYZFBINLLB-UHFFFAOYSA-N 0 0 308.197 0.913 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000285683796 396351022 /nfs/dbraw/zinc/35/10/22/396351022.db2.gz WCECJFXZFNBIDD-GFCCVEGCSA-N 0 0 318.160 0.841 10 0 DCAERN NC(=O)C1(CNC(=O)c2cn3ccnc3s2)CCOCC1 ZINC000188295181 396381167 /nfs/dbraw/zinc/38/11/67/396381167.db2.gz BSCJUGJCISSMPO-UHFFFAOYSA-N 0 0 308.363 0.408 10 0 DCAERN CCOC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000188397211 396381814 /nfs/dbraw/zinc/38/18/14/396381814.db2.gz OLTWUVVXXFHREM-FRRDWIJNSA-N 0 0 308.444 0.991 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NS(=O)(=O)Cc1cccc(OC)c1 ZINC000188459418 396382421 /nfs/dbraw/zinc/38/24/21/396382421.db2.gz JLFCJQZNSAEISK-LLVKDONJSA-N 0 0 314.407 0.981 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)COc2ccccc2)CCC1=O ZINC000188626559 396383697 /nfs/dbraw/zinc/38/36/97/396383697.db2.gz BTHXOUNIOHBBMJ-GFCCVEGCSA-N 0 0 304.346 0.619 10 0 DCAERN O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188761841 396386034 /nfs/dbraw/zinc/38/60/34/396386034.db2.gz NMRCIHWQIPQCFP-XHSDSOJGSA-N 0 0 321.396 0.564 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCCNC(=O)[C@H]3C)no2)c1 ZINC000188835261 396387014 /nfs/dbraw/zinc/38/70/14/396387014.db2.gz RPEZHGNITISWJK-LLVKDONJSA-N 0 0 317.349 0.578 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188929269 396388794 /nfs/dbraw/zinc/38/87/94/396388794.db2.gz HCOQCBYQYGIANU-VXGBXAGGSA-N 0 0 318.377 0.934 10 0 DCAERN CNC(=O)CCCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189198827 396391877 /nfs/dbraw/zinc/39/18/77/396391877.db2.gz SRYOXFFBHZSLIF-UHFFFAOYSA-N 0 0 319.409 0.852 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)cn1 ZINC000189218207 396392025 /nfs/dbraw/zinc/39/20/25/396392025.db2.gz JSMMKCLIHUYKFO-CYBMUJFWSA-N 0 0 316.427 0.861 10 0 DCAERN C[C@@H](O)CN(C(=O)Cn1ccc(=O)c2ccccc21)[C@H](C)CO ZINC000189293872 396392418 /nfs/dbraw/zinc/39/24/18/396392418.db2.gz ZVUOJPGLMUNYNM-CHWSQXEVSA-N 0 0 318.373 0.592 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)Cn2cccn2)C1 ZINC000189327074 396394017 /nfs/dbraw/zinc/39/40/17/396394017.db2.gz JHGAKZFWSIMICR-FRRDWIJNSA-N 0 0 307.354 0.397 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@H]13)c2O ZINC000189330338 396394075 /nfs/dbraw/zinc/39/40/75/396394075.db2.gz YMVNOKKARJDBKR-FXAINCCUSA-N 0 0 302.334 0.971 10 0 DCAERN Cn1cnn(CC(=O)N2CC3(CCCC3)OC(C)(C)C2)c1=O ZINC000189377057 396394149 /nfs/dbraw/zinc/39/41/49/396394149.db2.gz FWSWTMFSINTNMS-UHFFFAOYSA-N 0 0 308.382 0.532 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@H](O)Cn2cccn2)C1 ZINC000189327049 396394558 /nfs/dbraw/zinc/39/45/58/396394558.db2.gz JHGAKZFWSIMICR-RWMBFGLXSA-N 0 0 307.354 0.397 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189776066 396399015 /nfs/dbraw/zinc/39/90/15/396399015.db2.gz GFFNIZNUXOQVCW-HNNXBMFYSA-N 0 0 303.406 0.850 10 0 DCAERN CSCc1noc(CCC(=O)N2CCCN(C)C(=O)C2)n1 ZINC000189802884 396399444 /nfs/dbraw/zinc/39/94/44/396399444.db2.gz MEFZKYOXMFJEAD-UHFFFAOYSA-N 0 0 312.395 0.556 10 0 DCAERN CN1CCCN(C(=O)c2ccccc2Cn2cncn2)CC1=O ZINC000189795751 396399458 /nfs/dbraw/zinc/39/94/58/396399458.db2.gz XMBNTMAVJONPRM-UHFFFAOYSA-N 0 0 313.361 0.631 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000189795956 396399777 /nfs/dbraw/zinc/39/97/77/396399777.db2.gz IIMKKSFLVVZYAN-RYUDHWBXSA-N 0 0 308.382 0.781 10 0 DCAERN Cc1cc(C(=O)N2CCCN(C)C(=O)C2)c2cnn(C)c2n1 ZINC000189815592 396400421 /nfs/dbraw/zinc/40/04/21/396400421.db2.gz KRBAECQSZZILLV-UHFFFAOYSA-N 0 0 301.350 0.581 10 0 DCAERN CSC1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000190000177 396401408 /nfs/dbraw/zinc/40/14/08/396401408.db2.gz MKVJPNIGEYZUKN-UHFFFAOYSA-N 0 0 300.405 0.846 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190206653 396402895 /nfs/dbraw/zinc/40/28/95/396402895.db2.gz LVSGRNPXLDXXPW-UHFFFAOYSA-N 0 0 317.393 0.568 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190204034 396402985 /nfs/dbraw/zinc/40/29/85/396402985.db2.gz HDFWIJYJAGYLOR-GHMZBOCLSA-N 0 0 310.398 0.306 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ncccc3F)C2)C1 ZINC000190245497 396403550 /nfs/dbraw/zinc/40/35/50/396403550.db2.gz WQFKIRDXQDWRJR-NSHDSACASA-N 0 0 321.356 0.329 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C(=O)Nc3ccon3)CC2)[nH]1 ZINC000190422773 396406283 /nfs/dbraw/zinc/40/62/83/396406283.db2.gz HZVRWJGQGBHDAP-UHFFFAOYSA-N 0 0 318.337 0.700 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3C[C@@H](O)C3(C)C)cnc12 ZINC000190523931 396407191 /nfs/dbraw/zinc/40/71/91/396407191.db2.gz ICZDBRXPBNHNPE-NWDGAFQWSA-N 0 0 301.346 0.892 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N3CCCN(C)C(=O)C3)nn2)c1 ZINC000190637301 396409017 /nfs/dbraw/zinc/40/90/17/396409017.db2.gz FMJRVXNNRBDYAO-UHFFFAOYSA-N 0 0 313.361 0.880 10 0 DCAERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772345 396411131 /nfs/dbraw/zinc/41/11/31/396411131.db2.gz MFXBXYGEPCIVOQ-ZIAGYGMSSA-N 0 0 313.442 0.860 10 0 DCAERN CCn1cc([C@H]2CN(CCS(=O)(=O)CC)CCO2)cn1 ZINC000190791463 396411812 /nfs/dbraw/zinc/41/18/12/396411812.db2.gz BUSWGRGIFOJIHI-CYBMUJFWSA-N 0 0 301.412 0.711 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cc2ccccc2C(N)=O)CC1 ZINC000190863533 396412599 /nfs/dbraw/zinc/41/25/99/396412599.db2.gz CPKKXXWKGOPTEO-UHFFFAOYSA-N 0 0 303.362 0.409 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191041027 396414573 /nfs/dbraw/zinc/41/45/73/396414573.db2.gz KDGGCHDSYJNKGM-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCN3CCC2CC3)cn1 ZINC000191097075 396415135 /nfs/dbraw/zinc/41/51/35/396415135.db2.gz TULDPNBJRMOYSK-UHFFFAOYSA-N 0 0 311.407 0.949 10 0 DCAERN Cc1csc2nc(CN3CCCN(C)C(=O)C3)cc(=O)n12 ZINC000191086107 396415334 /nfs/dbraw/zinc/41/53/34/396415334.db2.gz RFKMYBKJULJZTL-UHFFFAOYSA-N 0 0 306.391 0.729 10 0 DCAERN CN1CCCN([C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128231 396415951 /nfs/dbraw/zinc/41/59/51/396415951.db2.gz SYQYAFLUDSCZCO-CYBMUJFWSA-N 0 0 309.797 0.901 10 0 DCAERN CN1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000191156458 396416029 /nfs/dbraw/zinc/41/60/29/396416029.db2.gz DNVWONTXZZGWEL-UONOGXRCSA-N 0 0 309.410 0.321 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccccc2OC)CC1=O ZINC000191224811 396417425 /nfs/dbraw/zinc/41/74/25/396417425.db2.gz ODROATWYFSHVFJ-UHFFFAOYSA-N 0 0 320.389 0.945 10 0 DCAERN Cn1cnc(-c2cccc(OC[C@H](O)CN3CCOCC3)c2)n1 ZINC000191395246 396419093 /nfs/dbraw/zinc/41/90/93/396419093.db2.gz RJAFMTXQJQFVCY-CQSZACIVSA-N 0 0 318.377 0.554 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cccc3cccnc32)CC1=O ZINC000191509352 396420366 /nfs/dbraw/zinc/42/03/66/396420366.db2.gz GKZRPRBTRJVNKN-UHFFFAOYSA-N 0 0 312.329 0.822 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000191795064 396425216 /nfs/dbraw/zinc/42/52/16/396425216.db2.gz KDLQKFJRCXEIPP-QMMMGPOBSA-N 0 0 305.338 0.183 10 0 DCAERN CCN1CN(Cc2ccccc2OCC(=O)N(C)C)CC1=O ZINC000191840049 396425923 /nfs/dbraw/zinc/42/59/23/396425923.db2.gz BCMZBOIPEYSBOB-UHFFFAOYSA-N 0 0 305.378 0.775 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000287843945 396426222 /nfs/dbraw/zinc/42/62/22/396426222.db2.gz QOWCPDSSLKFJCV-NWDGAFQWSA-N 0 0 305.382 0.878 10 0 DCAERN Cc1cc(NC(=O)N2CCCN(C)C(=O)C2)ccc1C(N)=O ZINC000191941610 396427947 /nfs/dbraw/zinc/42/79/47/396427947.db2.gz VNOVACAFYPHDRY-UHFFFAOYSA-N 0 0 304.350 0.790 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1cccnc1N(C)C ZINC000192014626 396428444 /nfs/dbraw/zinc/42/84/44/396428444.db2.gz CNUZVPWFAPNKPP-SNVBAGLBSA-N 0 0 314.411 0.044 10 0 DCAERN COCCN1CCCN(C(=O)c2cncc(Cl)n2)CC1=O ZINC000192387772 396430724 /nfs/dbraw/zinc/43/07/24/396430724.db2.gz ZGRMEKFLSNYAOM-UHFFFAOYSA-N 0 0 312.757 0.451 10 0 DCAERN Cn1nccc1CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000192876564 396439338 /nfs/dbraw/zinc/43/93/38/396439338.db2.gz XLIBKFNXSZERDP-BDAKNGLRSA-N 0 0 304.272 0.493 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c[nH]c2cc(F)ccc12 ZINC000192889749 396439779 /nfs/dbraw/zinc/43/97/79/396439779.db2.gz WWSUBGIPFLNUMU-GFCCVEGCSA-N 0 0 321.352 0.730 10 0 DCAERN Cn1cccc1C(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000192973296 396441582 /nfs/dbraw/zinc/44/15/82/396441582.db2.gz RXCSQRBCRBTMHZ-AWEZNQCLSA-N 0 0 319.405 0.779 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccn(CCOC)n1 ZINC000187873259 396376000 /nfs/dbraw/zinc/37/60/00/396376000.db2.gz ZXLCSQCGBSHSMR-NSHDSACASA-N 0 0 318.381 0.948 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2nnc(C(C)C)s2)C1 ZINC000286133032 396376455 /nfs/dbraw/zinc/37/64/55/396376455.db2.gz KEJOKJAVFIWXMB-CYBMUJFWSA-N 0 0 312.395 0.973 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000188073109 396378490 /nfs/dbraw/zinc/37/84/90/396378490.db2.gz RRMAQPDWHLRTDP-SNVBAGLBSA-N 0 0 307.325 0.293 10 0 DCAERN O=C(NCC[C@@H]1CCOC1)C(=O)N1CCOCC2(CCC2)C1 ZINC000515322307 396502637 /nfs/dbraw/zinc/50/26/37/396502637.db2.gz SUOREXHACFBNRU-CYBMUJFWSA-N 0 0 310.394 0.558 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193252143 396447012 /nfs/dbraw/zinc/44/70/12/396447012.db2.gz UOGVQRAPYHKEJH-LBPRGKRZSA-N 0 0 318.377 0.936 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)sc1C ZINC000193511260 396452651 /nfs/dbraw/zinc/45/26/51/396452651.db2.gz QZNQWHGLSWFIQE-MRVPVSSYSA-N 0 0 324.406 0.689 10 0 DCAERN O=C(Cc1noc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000371788001 396476716 /nfs/dbraw/zinc/47/67/16/396476716.db2.gz HKVJSXQVJPLGAJ-LBPRGKRZSA-N 0 0 301.346 0.913 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000371800461 396476888 /nfs/dbraw/zinc/47/68/88/396476888.db2.gz ADPHHDFGDXKBRU-MCYUEQNJSA-N 0 0 316.357 0.952 10 0 DCAERN FC(F)c1nnc2ccc(N3CCN4CCOC[C@H]4C3)nn21 ZINC000371803095 396477040 /nfs/dbraw/zinc/47/70/40/396477040.db2.gz OHMQVMVIFBTKMB-SECBINFHSA-N 0 0 310.308 0.583 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000371870631 396479456 /nfs/dbraw/zinc/47/94/56/396479456.db2.gz RNRYUWCIAZOAPF-GFCCVEGCSA-N 0 0 321.377 0.575 10 0 DCAERN O=C(NC[C@@H]1CSCCS1)N1CCN2CCOC[C@H]2C1 ZINC000371987160 396481671 /nfs/dbraw/zinc/48/16/71/396481671.db2.gz VIUOXNHIJCEPHF-VXGBXAGGSA-N 0 0 317.480 0.561 10 0 DCAERN CC1=CCN(CCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC000580089378 396487281 /nfs/dbraw/zinc/48/72/81/396487281.db2.gz XZELPIXTCGEZMT-ZDUSSCGKSA-N 0 0 315.439 0.467 10 0 DCAERN CN1CC[C@@H](CNS(=O)(=O)c2c[nH]cn2)[C@@H]1c1cccnc1 ZINC000372429129 396517229 /nfs/dbraw/zinc/51/72/29/396517229.db2.gz ARTXIJSWRRJUAY-JSGCOSHPSA-N 0 0 321.406 0.776 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000372658753 396535470 /nfs/dbraw/zinc/53/54/70/396535470.db2.gz BDENMVKMDNEIOF-QWHCGFSZSA-N 0 0 323.422 0.438 10 0 DCAERN CCN1C(=O)[C@H]2CN(C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738130 396542736 /nfs/dbraw/zinc/54/27/36/396542736.db2.gz IVSWXPJZOMXQSO-RKDXNWHRSA-N 0 0 309.288 0.268 10 0 DCAERN O=S(=O)(NCC[C@H]1COc2ccccc2O1)[C@H]1CCOC1 ZINC000581345290 396546275 /nfs/dbraw/zinc/54/62/75/396546275.db2.gz MSTQKOVOSHXAMU-RYUDHWBXSA-N 0 0 313.375 0.925 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000581352646 396547014 /nfs/dbraw/zinc/54/70/14/396547014.db2.gz PMGGCDXNCMNCNC-MEBBXXQBSA-N 0 0 305.334 0.137 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000373064958 396562950 /nfs/dbraw/zinc/56/29/50/396562950.db2.gz CMOACVAKPXKKCO-LFVASHNFSA-N 0 0 304.437 0.135 10 0 DCAERN CCCCCS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000373377141 396587380 /nfs/dbraw/zinc/58/73/80/396587380.db2.gz KBCTUOMDPOHSMO-ZDUSSCGKSA-N 0 0 318.439 0.876 10 0 DCAERN O=C(NCCCC1CC1)NC1CCC2(CC1)NC(=O)NC2=O ZINC000561568706 396644425 /nfs/dbraw/zinc/64/44/25/396644425.db2.gz WMUJDFGUAGZZQW-UHFFFAOYSA-N 0 0 308.382 0.997 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2CO)CC1=O ZINC000374209987 396647263 /nfs/dbraw/zinc/64/72/63/396647263.db2.gz DRJJXKFIYZJZPW-POQQGIQPSA-N 0 0 309.410 0.846 10 0 DCAERN CCc1n[nH]cc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585735423 396651592 /nfs/dbraw/zinc/65/15/92/396651592.db2.gz ZYKBUBKAWSAZCT-UHFFFAOYSA-N 0 0 300.384 0.128 10 0 DCAERN COC[C@H](NC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000562272731 396654726 /nfs/dbraw/zinc/65/47/26/396654726.db2.gz IAYLLYVQSLRMMI-MFKMUULPSA-N 0 0 310.398 0.553 10 0 DCAERN CN(C)C(=O)C(C)(C)NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000533386329 396602355 /nfs/dbraw/zinc/60/23/55/396602355.db2.gz QZUKMNKKMPSKPR-UHFFFAOYSA-N 0 0 307.350 0.810 10 0 DCAERN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2nc(N)nc(N)n2)C1 ZINC000533483479 396603960 /nfs/dbraw/zinc/60/39/60/396603960.db2.gz LXELOHPOZUHQKO-JTQLQIEISA-N 0 0 322.413 0.641 10 0 DCAERN Cc1nnc2ccc(N3CCN(C)[C@H](c4nccn4C)C3)nn12 ZINC000373679299 396607503 /nfs/dbraw/zinc/60/75/03/396607503.db2.gz FECHSBISHJMYFN-LBPRGKRZSA-N 0 0 312.381 0.659 10 0 DCAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccccn3)CC2)[nH]1 ZINC000584683686 396614935 /nfs/dbraw/zinc/61/49/35/396614935.db2.gz ASNIJSPOWRIEIO-UHFFFAOYSA-N 0 0 322.394 0.015 10 0 DCAERN NC(=O)CN1CCC(C(=O)NC2(CO)CCCCCC2)CC1 ZINC000584884401 396631653 /nfs/dbraw/zinc/63/16/53/396631653.db2.gz QPRBZTOLDPFJEM-UHFFFAOYSA-N 0 0 311.426 0.385 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)c2nn(CC)nc2C)c1CC ZINC000293810849 396634728 /nfs/dbraw/zinc/63/47/28/396634728.db2.gz USPBUGYWKSXWKQ-UHFFFAOYSA-N 0 0 318.381 0.745 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)n(C)c1 ZINC000374120502 396640578 /nfs/dbraw/zinc/64/05/78/396640578.db2.gz OHUXDISFMULCAY-ZWKOPEQDSA-N 0 0 303.362 0.967 10 0 DCAERN CC1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000587125345 396671325 /nfs/dbraw/zinc/67/13/25/396671325.db2.gz VSWLUZRPNNGNLZ-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN C[C@H](C1CC1)N(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000587123231 396671366 /nfs/dbraw/zinc/67/13/66/396671366.db2.gz GIGCWWOPRYZXOM-LLVKDONJSA-N 0 0 303.428 0.852 10 0 DCAERN CC(C)NS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374657625 396678839 /nfs/dbraw/zinc/67/88/39/396678839.db2.gz MFKDRPGGYIWUOP-VXGBXAGGSA-N 0 0 306.428 0.387 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000374925806 396698759 /nfs/dbraw/zinc/69/87/59/396698759.db2.gz DHNKEYMOXPNMNV-LBPRGKRZSA-N 0 0 312.391 0.711 10 0 DCAERN O=C(c1cc(-n2cccn2)ccn1)N1CCN2CCOC[C@@H]2C1 ZINC000374959885 396700758 /nfs/dbraw/zinc/70/07/58/396700758.db2.gz FESCPCBZQKGQPH-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN COc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1OC ZINC000374958840 396701036 /nfs/dbraw/zinc/70/10/36/396701036.db2.gz BDMXSXUOTVUIEZ-GFCCVEGCSA-N 0 0 306.362 0.860 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000301636112 396717378 /nfs/dbraw/zinc/71/73/78/396717378.db2.gz FBQIJMNKQANONG-MRXNPFEDSA-N 0 0 315.377 0.927 10 0 DCAERN C[C@@H](O)c1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000375236008 396720277 /nfs/dbraw/zinc/72/02/77/396720277.db2.gz DGDBLYOCOLEQJG-CJNGLKHVSA-N 0 0 319.405 0.966 10 0 DCAERN COCCS(=O)(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375249198 396721755 /nfs/dbraw/zinc/72/17/55/396721755.db2.gz ONVOTKHIYITGBK-SNVBAGLBSA-N 0 0 301.368 0.713 10 0 DCAERN NC(=O)NCC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000589702963 396723068 /nfs/dbraw/zinc/72/30/68/396723068.db2.gz NIGWDXFLMOJVNS-LLVKDONJSA-N 0 0 305.334 0.790 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN[C@H](c3ccncc3)C2)C1 ZINC000374380001 396659953 /nfs/dbraw/zinc/65/99/53/396659953.db2.gz YYVIEVOXPIZTET-CVEARBPZSA-N 0 0 316.405 0.813 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919428 396745561 /nfs/dbraw/zinc/74/55/61/396745561.db2.gz ZDQRGPFDUHLMMX-CQSZACIVSA-N 0 0 302.378 0.666 10 0 DCAERN C[C@@H](O)C(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000305699589 396747214 /nfs/dbraw/zinc/74/72/14/396747214.db2.gz BEBMMOPDFZCCAC-WDEREUQCSA-N 0 0 310.398 0.953 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@H](CC(N)=O)C2)c1C ZINC000629407626 396749061 /nfs/dbraw/zinc/74/90/61/396749061.db2.gz FVQFCDVRZGMHKN-LLVKDONJSA-N 0 0 307.350 0.551 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2ccn(CC(=O)N(C)C)n2)C1=O ZINC000563710929 396770739 /nfs/dbraw/zinc/77/07/39/396770739.db2.gz WPLYGPYLKWHEMU-UMCURTJPSA-N 0 0 305.338 0.362 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000590671627 396823218 /nfs/dbraw/zinc/82/32/18/396823218.db2.gz ZUEDADNHMMNKSQ-TZMCWYRMSA-N 0 0 309.410 0.762 10 0 DCAERN CN1CCN(C(=O)COC[C@@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328643846 396829408 /nfs/dbraw/zinc/82/94/08/396829408.db2.gz YZQXPHDRMLVUKV-STQMWFEESA-N 0 0 308.382 0.420 10 0 DCAERN CN1CCN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328643843 396829490 /nfs/dbraw/zinc/82/94/90/396829490.db2.gz YZQXPHDRMLVUKV-QWHCGFSZSA-N 0 0 308.382 0.420 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000611194281 396832370 /nfs/dbraw/zinc/83/23/70/396832370.db2.gz TXCZDKWYGHNVGT-UHFFFAOYSA-N 0 0 320.411 0.118 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCCOC1 ZINC000625323367 396838019 /nfs/dbraw/zinc/83/80/19/396838019.db2.gz CTHIYDMLSWODQP-LLVKDONJSA-N 0 0 313.398 0.091 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000376144107 396884238 /nfs/dbraw/zinc/88/42/38/396884238.db2.gz NLBAFNSWIWRUDT-LBPRGKRZSA-N 0 0 314.411 0.745 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCCC1 ZINC000629930693 396889312 /nfs/dbraw/zinc/88/93/12/396889312.db2.gz KDVAEUBEJANLJM-HUUCEWRRSA-N 0 0 321.421 0.951 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332915347 396904765 /nfs/dbraw/zinc/90/47/65/396904765.db2.gz WIDGDJCUBUJTAO-LYIQGSDWSA-N 0 0 306.366 0.801 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000564951031 396909384 /nfs/dbraw/zinc/90/93/84/396909384.db2.gz DPFJBFNTISNKOW-PWSUYJOCSA-N 0 0 319.361 0.901 10 0 DCAERN CC(C)c1cccc(C(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)n1 ZINC000630013060 396916969 /nfs/dbraw/zinc/91/69/69/396916969.db2.gz BYWGDYJYYUNNBS-ZIAGYGMSSA-N 0 0 301.350 0.855 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000618188679 396919348 /nfs/dbraw/zinc/91/93/48/396919348.db2.gz GULQPSWZEHNBFL-WUXMJOGZSA-N 0 0 301.412 0.459 10 0 DCAERN CN(C(=O)[C@H]1CSCN1C(=O)COc1cnn(C)c1)C1CC1 ZINC000569989204 396934082 /nfs/dbraw/zinc/93/40/82/396934082.db2.gz VSWOGYJGBIXRSI-GFCCVEGCSA-N 0 0 324.406 0.321 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cccc2nsnc21 ZINC000625598188 396942494 /nfs/dbraw/zinc/94/24/94/396942494.db2.gz QIOBMMOXJRDCMG-CBAPKCEASA-N 0 0 315.376 0.119 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1F ZINC000625597210 396942588 /nfs/dbraw/zinc/94/25/88/396942588.db2.gz MZSSZVGPZSEYDH-MNOVXSKESA-N 0 0 305.327 0.262 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cccc(Cl)c1F ZINC000625597280 396942639 /nfs/dbraw/zinc/94/26/39/396942639.db2.gz NPWIJWIFGVLDKN-BDAKNGLRSA-N 0 0 309.746 0.907 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cn(C)nn2)C1 ZINC000611941684 396952845 /nfs/dbraw/zinc/95/28/45/396952845.db2.gz ANMOOSIJSUYMNG-VPOQAHPWSA-N 0 0 313.427 0.694 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618316791 396958211 /nfs/dbraw/zinc/95/82/11/396958211.db2.gz KKDCCTLIBRUSRI-CYZMBNFOSA-N 0 0 316.423 0.469 10 0 DCAERN COc1cncc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000625628748 396960325 /nfs/dbraw/zinc/96/03/25/396960325.db2.gz FPBWDLBWZZVCJM-HUUCEWRRSA-N 0 0 304.350 0.448 10 0 DCAERN CN(C)[C@H](CNC(=O)N1CC[C@H](CC(N)=O)C1)c1ccco1 ZINC000376801030 396980548 /nfs/dbraw/zinc/98/05/48/396980548.db2.gz OMXVOUAFPVYNJR-VXGBXAGGSA-N 0 0 308.382 0.789 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2nccnc21 ZINC000618622378 397000004 /nfs/dbraw/zinc/00/00/04/397000004.db2.gz KEJVZONAEVYOPV-RKDXNWHRSA-N 0 0 318.337 0.288 10 0 DCAERN Cc1cccc2[nH]c(CCC(=O)N3C[C@@H](O)C[C@H]3CO)nc21 ZINC000376940374 397000077 /nfs/dbraw/zinc/00/00/77/397000077.db2.gz TWDUKUKINMFBEJ-RYUDHWBXSA-N 0 0 303.362 0.758 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCO1 ZINC000618675798 397009074 /nfs/dbraw/zinc/00/90/74/397009074.db2.gz JYMKCWNVEMKTOL-IJLUTSLNSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CCN1S(C)(=O)=O ZINC000618675985 397009442 /nfs/dbraw/zinc/00/94/42/397009442.db2.gz KWJCFFLDZLUGPI-BXUZGUMPSA-N 0 0 308.403 0.819 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1cncnc1 ZINC000618677780 397011620 /nfs/dbraw/zinc/01/16/20/397011620.db2.gz XXFAHCXGEKHCHX-GHMZBOCLSA-N 0 0 312.395 0.072 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1ccnc1 ZINC000618754142 397022881 /nfs/dbraw/zinc/02/28/81/397022881.db2.gz DENGGLDKXIKRRW-VXGBXAGGSA-N 0 0 324.381 0.236 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000377155958 397039657 /nfs/dbraw/zinc/03/96/57/397039657.db2.gz WAKPNKZMLGAPGZ-RBSFLKMASA-N 0 0 324.421 0.899 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)[C@H](C)C1 ZINC000612464364 397063471 /nfs/dbraw/zinc/06/34/71/397063471.db2.gz BLRJBPOSRCKSFT-SECBINFHSA-N 0 0 302.334 0.269 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000619023953 397064879 /nfs/dbraw/zinc/06/48/79/397064879.db2.gz SJGDIPPEDGOHSI-GRYCIOLGSA-N 0 0 304.412 0.220 10 0 DCAERN CS(=O)(=O)CCCN1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000349273210 397065842 /nfs/dbraw/zinc/06/58/42/397065842.db2.gz ZLEVAQPKDUVYAP-MXWKQRLJSA-N 0 0 300.380 0.484 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000626077391 397069282 /nfs/dbraw/zinc/06/92/82/397069282.db2.gz IXMSUGMHFBPRKJ-AWEZNQCLSA-N 0 0 319.361 0.404 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](CC(N)=O)C2)c1C ZINC000626079238 397070341 /nfs/dbraw/zinc/07/03/41/397070341.db2.gz BERHEWJLKJPUEP-GFCCVEGCSA-N 0 0 321.377 0.593 10 0 DCAERN C[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000350629659 397097710 /nfs/dbraw/zinc/09/77/10/397097710.db2.gz QOQRPQOZBWITSS-SECBINFHSA-N 0 0 300.355 0.651 10 0 DCAERN COC(=O)c1csc(NC(=O)CN2CCOCC2=O)c1C ZINC000619219798 397099180 /nfs/dbraw/zinc/09/91/80/397099180.db2.gz MAVNCAKHNCJWPZ-UHFFFAOYSA-N 0 0 312.347 0.640 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000597638715 397041421 /nfs/dbraw/zinc/04/14/21/397041421.db2.gz FGVRYHCQYZKSED-TZQNSNDFSA-N 0 0 324.377 0.416 10 0 DCAERN O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCO[C@H](CO)C1 ZINC000612626955 397107253 /nfs/dbraw/zinc/10/72/53/397107253.db2.gz QNMUMOVVYBHJTG-RRFJBIMHSA-N 0 0 307.346 0.363 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CN(C)C(=O)N1)CC2 ZINC000612998900 397177146 /nfs/dbraw/zinc/17/71/46/397177146.db2.gz DLGXKQYQXOIGPL-OAHLLOKOSA-N 0 0 315.373 0.840 10 0 DCAERN COc1ccccc1Cc1nnc2n1CCS(=O)(=O)CC2 ZINC000630952098 397146699 /nfs/dbraw/zinc/14/66/99/397146699.db2.gz WZGHKROALKRSNS-UHFFFAOYSA-N 0 0 307.375 0.848 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(N)=O)C2)nc1 ZINC000626493923 397175268 /nfs/dbraw/zinc/17/52/68/397175268.db2.gz ZVYZKFQYRVGOPI-LLVKDONJSA-N 0 0 306.322 0.392 10 0 DCAERN CCN1CC[C@H](NC(=O)c2cccc(CC(=O)OC)c2)C1=O ZINC000619801882 397195169 /nfs/dbraw/zinc/19/51/69/397195169.db2.gz POEHUWOVSZBYHC-ZDUSSCGKSA-N 0 0 304.346 0.753 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2ccc(OCC(=O)OC)cc2)C1=O ZINC000619803024 397196653 /nfs/dbraw/zinc/19/66/53/397196653.db2.gz VRBRNQWTKGKETH-CYBMUJFWSA-N 0 0 320.345 0.589 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCCN1C(C)=O ZINC000364453436 397206058 /nfs/dbraw/zinc/20/60/58/397206058.db2.gz KWKSOWZMANNQHR-SYQHCUMBSA-N 0 0 308.378 0.797 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC000573874244 397216513 /nfs/dbraw/zinc/21/65/13/397216513.db2.gz WYKIOHFZLGPRRA-LBPRGKRZSA-N 0 0 321.421 0.905 10 0 DCAERN CC(=O)CSCC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000598376982 397221865 /nfs/dbraw/zinc/22/18/65/397221865.db2.gz UYYUAQQGMDMHPW-LLVKDONJSA-N 0 0 301.412 0.523 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)C(C)(C)C1 ZINC000613258365 397230322 /nfs/dbraw/zinc/23/03/22/397230322.db2.gz WSNRQYIMOFXJJY-LBPRGKRZSA-N 0 0 304.394 0.984 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000601744362 397232186 /nfs/dbraw/zinc/23/21/86/397232186.db2.gz CMEIHLOLICJEKJ-RDBSUJKOSA-N 0 0 324.402 0.688 10 0 DCAERN Cc1nc2n(c1C)CCN(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2 ZINC000364729671 397239943 /nfs/dbraw/zinc/23/99/43/397239943.db2.gz YAGPGQXLGJVVSR-CYBMUJFWSA-N 0 0 319.409 0.039 10 0 DCAERN NS(=O)(=O)c1ccccc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000380223247 397269828 /nfs/dbraw/zinc/26/98/28/397269828.db2.gz JSAGWDVAMCJWII-JTQLQIEISA-N 0 0 310.297 0.838 10 0 DCAERN COC[C@](C)(CO)NC(=O)CSCC(=O)N1CCCCC1 ZINC000613533724 397274545 /nfs/dbraw/zinc/27/45/45/397274545.db2.gz DQFXIHJDVIHUKQ-AWEZNQCLSA-N 0 0 318.439 0.246 10 0 DCAERN CCS[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000365474782 397285534 /nfs/dbraw/zinc/28/55/34/397285534.db2.gz WJRAFUJYKAGFBK-LOWDOPEQSA-N 0 0 300.424 0.759 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)nc1 ZINC000613627259 397290189 /nfs/dbraw/zinc/29/01/89/397290189.db2.gz ZPPLNBRDUUMIPK-OAHLLOKOSA-N 0 0 306.318 0.500 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)nn1 ZINC000389980339 397298125 /nfs/dbraw/zinc/29/81/25/397298125.db2.gz IGOIDLBPJSLJEH-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000620733912 397299322 /nfs/dbraw/zinc/29/93/22/397299322.db2.gz NTKYOQLKBFBREL-UHFFFAOYSA-N 0 0 323.418 0.978 10 0 DCAERN C[C@H](C(=O)OCc1ccn(C)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000378541710 397253511 /nfs/dbraw/zinc/25/35/11/397253511.db2.gz GILMHKCJDRYMPH-SNVBAGLBSA-N 0 0 320.349 0.716 10 0 DCAERN CS(=O)(=O)CC1(CN2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000407947460 397331985 /nfs/dbraw/zinc/33/19/85/397331985.db2.gz DMNUKKGAERHMNB-SNVBAGLBSA-N 0 0 301.330 0.810 10 0 DCAERN CNS(=O)(=O)CCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950441 397333317 /nfs/dbraw/zinc/33/33/17/397333317.db2.gz AOKWAOXYBQMXMR-SECBINFHSA-N 0 0 304.334 0.315 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000407964955 397338884 /nfs/dbraw/zinc/33/88/84/397338884.db2.gz KQIHYWSHWSXMCS-VIFPVBQESA-N 0 0 314.329 0.126 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000407970710 397341643 /nfs/dbraw/zinc/34/16/43/397341643.db2.gz LSMKIPKDMKHRQI-CHWSQXEVSA-N 0 0 309.410 0.714 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC000407981354 397342682 /nfs/dbraw/zinc/34/26/82/397342682.db2.gz SYKZUOLBBRJPDO-DCAQKATOSA-N 0 0 307.354 0.200 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@@H]1OCCc2ccccc21 ZINC000366154128 397344799 /nfs/dbraw/zinc/34/47/99/397344799.db2.gz BXNVJXHYJCWIQE-AWEZNQCLSA-N 0 0 304.346 0.275 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408083226 397346381 /nfs/dbraw/zinc/34/63/81/397346381.db2.gz IOWPBJYAVDHURH-ATGSNQNLSA-N 0 0 311.426 0.469 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408205422 397350066 /nfs/dbraw/zinc/35/00/66/397350066.db2.gz YALBCUBCUVLSBW-UWVGGRQHSA-N 0 0 319.427 0.118 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000408326334 397352713 /nfs/dbraw/zinc/35/27/13/397352713.db2.gz LHHUVZFTJZUDEO-SRVKXCTJSA-N 0 0 304.412 0.342 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS[C@@H]3COCC[C@H]32)c1 ZINC000408356506 397354667 /nfs/dbraw/zinc/35/46/67/397354667.db2.gz YTRXDSVPWOESOJ-GHMZBOCLSA-N 0 0 317.436 0.798 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ncccc3F)CC2)CCCNC1=O ZINC000408371163 397355128 /nfs/dbraw/zinc/35/51/28/397355128.db2.gz VXIOGKMXVFBDOM-INIZCTEOSA-N 0 0 320.368 0.786 10 0 DCAERN COC(=O)[C@@H](C)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000613784750 397321732 /nfs/dbraw/zinc/32/17/32/397321732.db2.gz FASHTSUIDLREKU-LLVKDONJSA-N 0 0 324.402 0.625 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000404127076 397327029 /nfs/dbraw/zinc/32/70/29/397327029.db2.gz VQWZOWUUBORTLN-UTUOFQBUSA-N 0 0 304.412 0.752 10 0 DCAERN CC(C)[C@H](C)N(C)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459960396 397438381 /nfs/dbraw/zinc/43/83/81/397438381.db2.gz IQBFUZYCSIXNAW-BLLLJJGKSA-N 0 0 309.410 0.618 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000369614884 397443724 /nfs/dbraw/zinc/44/37/24/397443724.db2.gz HTRUEKYJPCDMCA-KCPJHIHWSA-N 0 0 308.378 0.309 10 0 DCAERN O=C(c1cccc2c1OCO2)N1CCOC[C@H]1c1nc[nH]n1 ZINC000367650125 397406300 /nfs/dbraw/zinc/40/63/00/397406300.db2.gz CFRTZSPXKLKPLH-JTQLQIEISA-N 0 0 302.290 0.747 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)CN2CCN(C3CC3)C2=O)C1 ZINC000614262427 397409022 /nfs/dbraw/zinc/40/90/22/397409022.db2.gz RYERDCZHCIJXAK-ZDUSSCGKSA-N 0 0 322.409 0.261 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1C[C@@H](O)C[C@H]1CO)CC2 ZINC000476790010 397454640 /nfs/dbraw/zinc/45/46/40/397454640.db2.gz GSSMROATUVIKLC-SRVKXCTJSA-N 0 0 307.394 0.592 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1coc(CC)n1 ZINC000488296911 397488858 /nfs/dbraw/zinc/48/88/58/397488858.db2.gz OSTLQLPICQBMRB-BDAKNGLRSA-N 0 0 311.338 0.423 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCn2cccc2)CC1 ZINC000614646393 397489972 /nfs/dbraw/zinc/48/99/72/397489972.db2.gz PRPVWAFEEHZCPP-UHFFFAOYSA-N 0 0 307.394 0.974 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000370510468 397495687 /nfs/dbraw/zinc/49/56/87/397495687.db2.gz ZOVIXVZNDRZVLF-XQQFMLRXSA-N 0 0 305.378 0.970 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ncoc1CC ZINC000488149941 397486883 /nfs/dbraw/zinc/48/68/83/397486883.db2.gz MLNNXOQCYKMZFH-DTWKUNHWSA-N 0 0 311.338 0.423 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)[nH]c(=O)c1 ZINC000488156690 397487005 /nfs/dbraw/zinc/48/70/05/397487005.db2.gz BIOOXLLDVUBZIE-UWVGGRQHSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc2nccnc2n1 ZINC000579067818 397519095 /nfs/dbraw/zinc/51/90/95/397519095.db2.gz BLCPDCLKANOFBC-UWVGGRQHSA-N 0 0 317.349 0.267 10 0 DCAERN CN1CC[C@@H](Cn2cc(I)cn2)C1=O ZINC000603315439 397596847 /nfs/dbraw/zinc/59/68/47/397596847.db2.gz FZMCUBPHRFAMOU-ZETCQYMHSA-N 0 0 305.119 0.966 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C[C@H](C)c2cccnc2)CC1 ZINC000604313199 397636360 /nfs/dbraw/zinc/63/63/60/397636360.db2.gz JBBGZNQJZDLLKX-AWEZNQCLSA-N 0 0 318.421 0.856 10 0 DCAERN C[C@@H](C(=O)NCCCN1CCCS1(=O)=O)C(F)(F)F ZINC000608123526 397717231 /nfs/dbraw/zinc/71/72/31/397717231.db2.gz HDLNADICOXQRET-QMMMGPOBSA-N 0 0 302.318 0.727 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608399631 397728814 /nfs/dbraw/zinc/72/88/14/397728814.db2.gz GFLZWOKMZRMNQZ-PRULPYPASA-N 0 0 305.382 0.869 10 0 DCAERN Cn1cc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)cc1C(N)=O ZINC000606753202 397687504 /nfs/dbraw/zinc/68/75/04/397687504.db2.gz UTVXKEXLSSVZRE-UHFFFAOYSA-N 0 0 319.346 0.573 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C1(C(=O)NC2CC2)CC1 ZINC000609889830 397796903 /nfs/dbraw/zinc/79/69/03/397796903.db2.gz PNFXSFWEGZDREP-LBPRGKRZSA-N 0 0 308.378 0.988 10 0 DCAERN COC(=O)c1cn(CC(=O)NC[C@H](C)c2ccncc2)nn1 ZINC000610526339 397829878 /nfs/dbraw/zinc/82/98/78/397829878.db2.gz KSNNUHJSSMSAJC-JTQLQIEISA-N 0 0 303.322 0.380 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000374991518 296588730 /nfs/dbraw/zinc/58/87/30/296588730.db2.gz RTAIPTYQSJOKMB-GFCCVEGCSA-N 0 0 323.393 0.879 10 0 DCAERN C[C@@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000287621479 296617570 /nfs/dbraw/zinc/61/75/70/296617570.db2.gz FKPJFSWMQVBGQM-GHMZBOCLSA-N 0 0 323.422 0.583 10 0 DCAERN COc1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000284653469 286281062 /nfs/dbraw/zinc/28/10/62/286281062.db2.gz WIHKFCCGFYFBEO-DZGCQCFKSA-N 0 0 306.362 0.946 10 0 DCAERN COCCCCS(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000408308099 292324321 /nfs/dbraw/zinc/32/43/21/292324321.db2.gz IIDCDUWKSDUIMC-WDEREUQCSA-N 0 0 313.441 0.250 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000046867487 158001532 /nfs/dbraw/zinc/00/15/32/158001532.db2.gz HISTUUHQSBZEOF-IUODEOHRSA-N 0 0 317.389 0.790 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCCN1CCOCC1 ZINC000047618291 158004043 /nfs/dbraw/zinc/00/40/43/158004043.db2.gz MDTBGGMBQHBJJP-UHFFFAOYSA-N 0 0 320.393 0.048 10 0 DCAERN COCCn1nc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1=O ZINC000047923635 158004166 /nfs/dbraw/zinc/00/41/66/158004166.db2.gz YJTHPZPNKKQSPS-KBPBESRZSA-N 0 0 321.377 0.673 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047952630 158005275 /nfs/dbraw/zinc/00/52/75/158005275.db2.gz PKWSBBKCEFFUCA-PHIMTYICSA-N 0 0 308.400 0.224 10 0 DCAERN Cn1nccc1CNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000052535938 158016252 /nfs/dbraw/zinc/01/62/52/158016252.db2.gz OJIXHLVGZLJBMC-UHFFFAOYSA-N 0 0 323.356 0.960 10 0 DCAERN O=C(CN1CCNC(=O)CC1)Nc1ccnn1C1CCCC1 ZINC000054258856 158019373 /nfs/dbraw/zinc/01/93/73/158019373.db2.gz PNTPYUCNEBTOCN-UHFFFAOYSA-N 0 0 305.382 0.759 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000055139030 158021730 /nfs/dbraw/zinc/02/17/30/158021730.db2.gz VGOKSNRJUKUQFR-GXSJLCMTSA-N 0 0 309.391 0.272 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057050241 158024325 /nfs/dbraw/zinc/02/43/25/158024325.db2.gz RCCVPAUZUQOBGI-LLVKDONJSA-N 0 0 303.362 0.728 10 0 DCAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCNC(=O)CC1 ZINC000059894573 158026950 /nfs/dbraw/zinc/02/69/50/158026950.db2.gz MPGLXABFDPDBTL-UHFFFAOYSA-N 0 0 309.753 0.418 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)N[C@H]1COc2ccccc21 ZINC000058969729 158027018 /nfs/dbraw/zinc/02/70/18/158027018.db2.gz BZFHVUSDBPNBDA-ZDUSSCGKSA-N 0 0 304.346 0.875 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N2CCNC(=O)CC2)cc1 ZINC000063245003 158030944 /nfs/dbraw/zinc/03/09/44/158030944.db2.gz CFVFFTFSSBLQGD-UHFFFAOYSA-N 0 0 318.373 0.936 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccccc1 ZINC000063768414 158031432 /nfs/dbraw/zinc/03/14/32/158031432.db2.gz YKOYHOSHKVYGSI-YPMHNXCESA-N 0 0 303.362 0.529 10 0 DCAERN CO[C@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858464 158037640 /nfs/dbraw/zinc/03/76/40/158037640.db2.gz MPDJOCWLORSEKI-CYBMUJFWSA-N 0 0 311.426 0.424 10 0 DCAERN CC1CCC(N2C[C@H](C(=O)N3CCNC(=O)CC3)CC2=O)CC1 ZINC000066831021 158038038 /nfs/dbraw/zinc/03/80/38/158038038.db2.gz UOZNPABKEZPTKX-ROKHWSDSSA-N 0 0 321.421 0.762 10 0 DCAERN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)C1=NNC(=O)CC1 ZINC000074900490 158060385 /nfs/dbraw/zinc/06/03/85/158060385.db2.gz WFXHFXCERBUFMX-JTQLQIEISA-N 0 0 300.318 0.174 10 0 DCAERN CCc1cnc(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)s1 ZINC000074841739 158060736 /nfs/dbraw/zinc/06/07/36/158060736.db2.gz KWJRKDJREARUHF-SNVBAGLBSA-N 0 0 312.395 0.144 10 0 DCAERN CN1C(=O)CCc2cc(NC(=O)C3=NNC(=O)CC3)ccc21 ZINC000075009401 158061220 /nfs/dbraw/zinc/06/12/20/158061220.db2.gz QPCLUYJZIGGAPT-UHFFFAOYSA-N 0 0 300.318 0.800 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)Cn1nc2ccccn2c1=O ZINC000075263724 158062292 /nfs/dbraw/zinc/06/22/92/158062292.db2.gz WSFFYEGCCHPEPU-MRXNPFEDSA-N 0 0 320.393 0.799 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075976950 158063374 /nfs/dbraw/zinc/06/33/74/158063374.db2.gz CMJNKSQKBVMJQM-CMPLNLGQSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)N1CCOCC1 ZINC000076957849 158066184 /nfs/dbraw/zinc/06/61/84/158066184.db2.gz FTBHDDFFHGBNPZ-ABAIWWIYSA-N 0 0 308.353 0.966 10 0 DCAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCNC(=O)CC1 ZINC000077853768 158071873 /nfs/dbraw/zinc/07/18/73/158071873.db2.gz WABMZNXYVVLXET-AWEZNQCLSA-N 0 0 305.378 0.684 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(N)=O)o2)C1 ZINC000080822858 158082127 /nfs/dbraw/zinc/08/21/27/158082127.db2.gz SDWSIBKXUOGMET-SECBINFHSA-N 0 0 301.368 0.445 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)c1 ZINC000080738080 158082917 /nfs/dbraw/zinc/08/29/17/158082917.db2.gz YIXSLLKZQHXYBY-SNVBAGLBSA-N 0 0 301.368 0.477 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083712880 158089006 /nfs/dbraw/zinc/08/90/06/158089006.db2.gz WYUPYFIFOJPGKP-LLVKDONJSA-N 0 0 308.386 0.637 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089360889 158095489 /nfs/dbraw/zinc/09/54/89/158095489.db2.gz XRCRFWXBUDMKSX-UHFFFAOYSA-N 0 0 312.329 0.604 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1c2ccccc2C[C@H]1O ZINC000089511555 158097161 /nfs/dbraw/zinc/09/71/61/158097161.db2.gz JQEAWFBLKKFFTB-ZBFHGGJFSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000089571534 158098679 /nfs/dbraw/zinc/09/86/79/158098679.db2.gz GTUPDZMBMRTXFM-GFCCVEGCSA-N 0 0 304.350 0.179 10 0 DCAERN CNC(=O)NCC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000089572065 158098768 /nfs/dbraw/zinc/09/87/68/158098768.db2.gz KYUXPFXJNQGXII-LBPRGKRZSA-N 0 0 304.350 0.227 10 0 DCAERN O=C(CSCC(F)(F)F)NC[C@@H](O)CN1CCOCC1 ZINC000090165926 158101870 /nfs/dbraw/zinc/10/18/70/158101870.db2.gz BRRJKUIWAPOAOE-SECBINFHSA-N 0 0 316.345 0.091 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@@](C)(O)CO ZINC000090287276 158104099 /nfs/dbraw/zinc/10/40/99/158104099.db2.gz QJDLHFDZFAVBMG-LLVKDONJSA-N 0 0 305.172 0.744 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)Nc3ncnn3C)C2)cn1 ZINC000091185964 158105958 /nfs/dbraw/zinc/10/59/58/158105958.db2.gz YGIYWYOQZKWHRI-SNVBAGLBSA-N 0 0 304.358 0.339 10 0 DCAERN CSC[C@](C)(O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091058225 158106852 /nfs/dbraw/zinc/10/68/52/158106852.db2.gz RSAYMQXNMOQGOB-OAHLLOKOSA-N 0 0 321.402 0.847 10 0 DCAERN COCCCOC1CN(C(=O)NC[C@H](C)Cn2cccn2)C1 ZINC000091213972 158108094 /nfs/dbraw/zinc/10/80/94/158108094.db2.gz CALUPNBTMBQZKI-ZDUSSCGKSA-N 0 0 310.398 0.966 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000092910383 158116259 /nfs/dbraw/zinc/11/62/59/158116259.db2.gz OWXSUDADOJPAGN-CYBMUJFWSA-N 0 0 309.391 0.785 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@@H](c3cccs3)C2)CC1 ZINC000093189975 158119008 /nfs/dbraw/zinc/11/90/08/158119008.db2.gz JOCZFYRJETXKEI-CYBMUJFWSA-N 0 0 309.435 0.895 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCC(n3ccnc3)CC2)C1=O ZINC000101864878 158127689 /nfs/dbraw/zinc/12/76/89/158127689.db2.gz XMWZFPUDIQNEEF-UHFFFAOYSA-N 0 0 319.365 0.377 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000102659332 158127980 /nfs/dbraw/zinc/12/79/80/158127980.db2.gz SJMSFZVTRHLLRR-NSHDSACASA-N 0 0 324.362 0.430 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)CCOC)C1 ZINC000106378738 158133296 /nfs/dbraw/zinc/13/32/96/158133296.db2.gz MHTFCXXCLZMREM-NSHDSACASA-N 0 0 302.400 0.454 10 0 DCAERN CCNC(=O)NC(=O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000109819642 158138690 /nfs/dbraw/zinc/13/86/90/158138690.db2.gz KDLNWKMAXDTZFE-ZDUSSCGKSA-N 0 0 312.414 0.019 10 0 DCAERN CS(=O)(=O)CCCN1CCCC[C@@H]1CN1CCOCC1 ZINC000109819393 158138960 /nfs/dbraw/zinc/13/89/60/158138960.db2.gz WUMUZCJSOXEBGE-CQSZACIVSA-N 0 0 304.456 0.608 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CCCC1)CO2 ZINC000113650587 158148724 /nfs/dbraw/zinc/14/87/24/158148724.db2.gz XKFLFRBTRDKQLK-NSHDSACASA-N 0 0 310.375 0.508 10 0 DCAERN CC(C)CNC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650558 158149250 /nfs/dbraw/zinc/14/92/50/158149250.db2.gz DIHXMCKENVWXCX-LLVKDONJSA-N 0 0 312.391 0.657 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114855160 158158110 /nfs/dbraw/zinc/15/81/10/158158110.db2.gz SDIMZDQIGKXRMT-CYBMUJFWSA-N 0 0 311.426 0.518 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC2 ZINC000114866922 158158927 /nfs/dbraw/zinc/15/89/27/158158927.db2.gz FTAKZZXQOBQLTD-LLVKDONJSA-N 0 0 321.425 0.824 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC2 ZINC000114866923 158159153 /nfs/dbraw/zinc/15/91/53/158159153.db2.gz FTAKZZXQOBQLTD-NSHDSACASA-N 0 0 321.425 0.824 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCc1nc(C)no1)CC2 ZINC000114871396 158159214 /nfs/dbraw/zinc/15/92/14/158159214.db2.gz ZFAVRDPIIIDLNH-NSHDSACASA-N 0 0 318.381 0.986 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739838 158166310 /nfs/dbraw/zinc/16/63/10/158166310.db2.gz BYTASDDUABETRS-HNNXBMFYSA-N 0 0 300.362 0.933 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)CSCC(N)=O)C1 ZINC000118334235 158177843 /nfs/dbraw/zinc/17/78/43/158177843.db2.gz PKQFKJVFTXYFEA-LLVKDONJSA-N 0 0 310.423 0.828 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118672473 158178392 /nfs/dbraw/zinc/17/83/92/158178392.db2.gz ASDMHHLHJAJZEM-GFCCVEGCSA-N 0 0 305.382 0.478 10 0 DCAERN C[C@@H](CN([C@@H](C)CS(C)(=O)=O)C1CC1)CS(C)(=O)=O ZINC000119179028 158184060 /nfs/dbraw/zinc/18/40/60/158184060.db2.gz HHWCCCJMSSIQMT-QWRGUYRKSA-N 0 0 311.469 0.565 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(CCOC)nn1C ZINC000119283054 158185335 /nfs/dbraw/zinc/18/53/35/158185335.db2.gz TXLLMIGWLYZAPE-GFCCVEGCSA-N 0 0 323.397 0.741 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)cn2)n[nH]1 ZINC000119302094 158186048 /nfs/dbraw/zinc/18/60/48/158186048.db2.gz JGPXYMDLUYDULO-UHFFFAOYSA-N 0 0 311.305 0.556 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000119512045 158188597 /nfs/dbraw/zinc/18/85/97/158188597.db2.gz QFWDLOIKEVLKHG-AWEZNQCLSA-N 0 0 323.368 0.451 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000120021847 158192116 /nfs/dbraw/zinc/19/21/16/158192116.db2.gz ZEYCPMCEQNDSHJ-STQMWFEESA-N 0 0 312.410 0.755 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120070843 158193289 /nfs/dbraw/zinc/19/32/89/158193289.db2.gz OHEUOFVREJQBAF-WBMJQRKESA-N 0 0 305.378 0.891 10 0 DCAERN C[C@H](CNC(=O)NCCNC(=O)C(C)(C)C)N1CCOCC1 ZINC000120869639 158205465 /nfs/dbraw/zinc/20/54/65/158205465.db2.gz MRDZJIIMMRHHCT-GFCCVEGCSA-N 0 0 314.430 0.169 10 0 DCAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3ccnn3C)CC2)C1 ZINC000121059471 158207046 /nfs/dbraw/zinc/20/70/46/158207046.db2.gz LQPGUPXCOZFQLG-QGZVFWFLSA-N 0 0 321.469 0.647 10 0 DCAERN COc1ccc(OC)c(CCCNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000121172034 158207749 /nfs/dbraw/zinc/20/77/49/158207749.db2.gz AMKKNTXODABUJL-LBPRGKRZSA-N 0 0 306.362 0.889 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000121512638 158211937 /nfs/dbraw/zinc/21/19/37/158211937.db2.gz CNHRJRXLJOBRRN-SNVBAGLBSA-N 0 0 306.370 0.159 10 0 DCAERN O=C(CN1CCCC[C@H]1c1nc[nH]n1)NCC(=O)N1CCCC1 ZINC000121757348 158213906 /nfs/dbraw/zinc/21/39/06/158213906.db2.gz DPPHIIFJDMOZLR-LBPRGKRZSA-N 0 0 320.397 0.070 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000121900065 158216785 /nfs/dbraw/zinc/21/67/85/158216785.db2.gz QKKMDCOVEQBZAX-CYBMUJFWSA-N 0 0 322.413 0.787 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122450481 158220492 /nfs/dbraw/zinc/22/04/92/158220492.db2.gz KAINVHIZLMJGEK-NXEZZACHSA-N 0 0 304.412 0.183 10 0 DCAERN COc1ccc([C@H](CC(=O)N2CC(CO)C2)NC(C)=O)cc1 ZINC000122367853 158220983 /nfs/dbraw/zinc/22/09/83/158220983.db2.gz FFBUQYNZRNJDES-HNNXBMFYSA-N 0 0 306.362 0.713 10 0 DCAERN Cc1nn(CC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)c1Cl ZINC000122422916 158221009 /nfs/dbraw/zinc/22/10/09/158221009.db2.gz NKJPDYGKYWNGOB-QMMMGPOBSA-N 0 0 319.814 0.799 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000122355869 158221038 /nfs/dbraw/zinc/22/10/38/158221038.db2.gz KRUGCAFLNGHIEP-NXEZZACHSA-N 0 0 317.411 0.367 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000123366082 158229207 /nfs/dbraw/zinc/22/92/07/158229207.db2.gz ZMEUTPJUYQQZQL-LBPRGKRZSA-N 0 0 300.399 0.660 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCCNC(C)=O)CCN1CC(F)F ZINC000124743283 158246622 /nfs/dbraw/zinc/24/66/22/158246622.db2.gz UJSGQJHOMAVMCG-GFCCVEGCSA-N 0 0 320.384 0.884 10 0 DCAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)NCC(=O)N(C)C ZINC000125258455 158254107 /nfs/dbraw/zinc/25/41/07/158254107.db2.gz HBWQDBBRHMMWJX-JHJVBQTASA-N 0 0 311.426 0.768 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)NCC(=O)NC(C)(C)C)c1CC ZINC000125548732 158256592 /nfs/dbraw/zinc/25/65/92/158256592.db2.gz NLRVJABXJDECFB-UHFFFAOYSA-N 0 0 308.382 0.539 10 0 DCAERN NC(=O)c1cccc(CNC(=O)CNC(=O)c2cccnc2)c1 ZINC000126522184 158266098 /nfs/dbraw/zinc/26/60/98/158266098.db2.gz RJRXPKSHDHQWBC-UHFFFAOYSA-N 0 0 312.329 0.227 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1nnc[nH]1 ZINC000127096060 158270039 /nfs/dbraw/zinc/27/00/39/158270039.db2.gz GQHOHVTZRWUBSZ-SECBINFHSA-N 0 0 305.342 0.127 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](CC)CCO)CC2 ZINC000128582662 158282377 /nfs/dbraw/zinc/28/23/77/158282377.db2.gz WVRUGRWSYNPYNK-RYUDHWBXSA-N 0 0 309.414 0.863 10 0 DCAERN Nc1nc(N)nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)n1 ZINC000129222059 158286137 /nfs/dbraw/zinc/28/61/37/158286137.db2.gz SGEWBMOOHQEQPF-UHFFFAOYSA-N 0 0 313.296 0.447 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000129221310 158286688 /nfs/dbraw/zinc/28/66/88/158286688.db2.gz DLWRUGUGNWWHJR-UHFFFAOYSA-N 0 0 305.382 0.392 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CCO[C@H]1C)N1CCCS1(=O)=O ZINC000129818467 158291024 /nfs/dbraw/zinc/29/10/24/158291024.db2.gz FTKNMDBDZQSPAO-QJPTWQEYSA-N 0 0 304.412 0.340 10 0 DCAERN Cc1cccc(C)c1OC[C@H](O)Cn1nc(C(N)=O)ccc1=O ZINC000131282388 158302127 /nfs/dbraw/zinc/30/21/27/158302127.db2.gz OVPPKVMGWCJKMQ-GFCCVEGCSA-N 0 0 317.345 0.399 10 0 DCAERN COC(=O)CCCC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000131619445 158304757 /nfs/dbraw/zinc/30/47/57/158304757.db2.gz UIJDNGULUHBEGR-UHFFFAOYSA-N 0 0 323.393 0.925 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C[C@H](O)CN1CCCC1=O ZINC000131996924 158306826 /nfs/dbraw/zinc/30/68/26/158306826.db2.gz ISDKCXHZZAEJBO-ZFWWWQNUSA-N 0 0 307.394 0.382 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCCC(=O)NC)CC2 ZINC000132754713 158314476 /nfs/dbraw/zinc/31/44/76/158314476.db2.gz HWGGUBCYTBCMOY-NSHDSACASA-N 0 0 322.413 0.323 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)CN1[C@H](C)COC[C@@H]1C)C(=O)OC ZINC000133209214 158316927 /nfs/dbraw/zinc/31/69/27/158316927.db2.gz IWVCTYASWWGCQB-CIQGVGRVSA-N 0 0 300.399 0.800 10 0 DCAERN CNC(=O)c1cccc(CCNc2cncc(OCCO)n2)c1 ZINC000133415049 158319601 /nfs/dbraw/zinc/31/96/01/158319601.db2.gz AWGPUBBNVACBDB-UHFFFAOYSA-N 0 0 316.361 0.862 10 0 DCAERN CCC1(CO)CCN(C(=O)CN(C)S(=O)(=O)CC)CC1 ZINC000134697600 158329360 /nfs/dbraw/zinc/32/93/60/158329360.db2.gz RONSITWPNRGTQM-UHFFFAOYSA-N 0 0 306.428 0.279 10 0 DCAERN CC(C)[C@H](NC(=O)NCc1cccnc1-n1cccn1)C(N)=O ZINC000134689678 158329524 /nfs/dbraw/zinc/32/95/24/158329524.db2.gz VALYBATYALOINU-LBPRGKRZSA-N 0 0 316.365 0.576 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)C1 ZINC000135153272 158333588 /nfs/dbraw/zinc/33/35/88/158333588.db2.gz VWAZQLDRFZBFEK-LLVKDONJSA-N 0 0 312.414 0.553 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1nnc2n1CCCC2 ZINC000135305123 158334840 /nfs/dbraw/zinc/33/48/40/158334840.db2.gz MFXJZFZRWIJOKG-QWRGUYRKSA-N 0 0 320.397 0.582 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cncnc1OC)CC2 ZINC000135923404 158341793 /nfs/dbraw/zinc/34/17/93/158341793.db2.gz JYSBJNUFTVLIRD-VIFPVBQESA-N 0 0 317.353 0.776 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1-n1ccnc1 ZINC000138494679 158346734 /nfs/dbraw/zinc/34/67/34/158346734.db2.gz FYDQAKIEECJEMZ-NSHDSACASA-N 0 0 313.317 0.087 10 0 DCAERN Cn1c2ccc(NC(=O)NC[C@H]3CN(C)CCO3)cc2oc1=O ZINC000150862228 158347900 /nfs/dbraw/zinc/34/79/00/158347900.db2.gz OJEAWBVPLMPSNO-NSHDSACASA-N 0 0 320.349 0.584 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccc(Br)cn1 ZINC000162948531 158361398 /nfs/dbraw/zinc/36/13/98/158361398.db2.gz QYGDMWIMTIBTTC-JTQLQIEISA-N 0 0 300.156 0.530 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCN(c2ccccn2)CC1 ZINC000170241271 158373737 /nfs/dbraw/zinc/37/37/37/158373737.db2.gz WERZASJEFKYKON-GFCCVEGCSA-N 0 0 312.377 0.653 10 0 DCAERN CN(CC(=O)Nc1cccc(-c2ncon2)c1)S(C)(=O)=O ZINC000170632340 158374946 /nfs/dbraw/zinc/37/49/46/158374946.db2.gz QTZVFVOCJHQROZ-UHFFFAOYSA-N 0 0 310.335 0.567 10 0 DCAERN CCc1nnc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1C ZINC000170778113 158377132 /nfs/dbraw/zinc/37/71/32/158377132.db2.gz IWZOMOKSRRWNDZ-ZDUSSCGKSA-N 0 0 321.425 0.591 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000170921401 158378115 /nfs/dbraw/zinc/37/81/15/158378115.db2.gz BBQQOBHLAVOCFY-ZDUSSCGKSA-N 0 0 309.414 0.209 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CCc3nc(C)nn3C2)n1 ZINC000171057842 158379757 /nfs/dbraw/zinc/37/97/57/158379757.db2.gz WNMJJVBYSKASKZ-GFCCVEGCSA-N 0 0 316.365 0.804 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)cn1 ZINC000171351322 158382414 /nfs/dbraw/zinc/38/24/14/158382414.db2.gz DKEGXWOARNKLNN-WCQYABFASA-N 0 0 305.382 0.874 10 0 DCAERN COCCCNC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503761 158383542 /nfs/dbraw/zinc/38/35/42/158383542.db2.gz ZXCMNHMRACYIPW-CYBMUJFWSA-N 0 0 310.398 0.785 10 0 DCAERN O=C(Nc1ccc2nccnc2c1)C(=O)N[C@@H]1CCCOC1 ZINC000171623908 158384738 /nfs/dbraw/zinc/38/47/38/158384738.db2.gz JVIJAXFMOSOCPI-LLVKDONJSA-N 0 0 300.318 0.864 10 0 DCAERN O=C(NC1CCN(CC(F)(F)F)CC1)N1CCNC(=O)CC1 ZINC000171666725 158385332 /nfs/dbraw/zinc/38/53/32/158385332.db2.gz KXJYOTGUONWTGX-UHFFFAOYSA-N 0 0 322.331 0.545 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)N1CCOCC1 ZINC000171751848 158386629 /nfs/dbraw/zinc/38/66/29/158386629.db2.gz WSWKQEJTBZVLBY-WQVCFCJDSA-N 0 0 319.405 0.665 10 0 DCAERN COCc1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000172103346 158390588 /nfs/dbraw/zinc/39/05/88/158390588.db2.gz DOMZBNCRNLVVDP-LBPRGKRZSA-N 0 0 322.390 0.718 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172212162 158391991 /nfs/dbraw/zinc/39/19/91/158391991.db2.gz GPMXDWFWHZQMMF-GFCCVEGCSA-N 0 0 323.356 0.793 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC000172261683 158393054 /nfs/dbraw/zinc/39/30/54/158393054.db2.gz YZFUCBPAMPCDGB-VXGBXAGGSA-N 0 0 321.406 0.804 10 0 DCAERN CCC[C@@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308245 158393319 /nfs/dbraw/zinc/39/33/19/158393319.db2.gz SHQPHZWNIXIJFA-GFCCVEGCSA-N 0 0 304.354 0.623 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000172389432 158393770 /nfs/dbraw/zinc/39/37/70/158393770.db2.gz IDGRPYOQKMUQSU-ZIAGYGMSSA-N 0 0 318.439 0.338 10 0 DCAERN Cn1cc(NC(=O)NCCCOC[C@@H]2CCOC2)ccc1=O ZINC000172592929 158396683 /nfs/dbraw/zinc/39/66/83/158396683.db2.gz GXHCGRQFOVUFRH-LBPRGKRZSA-N 0 0 309.366 0.950 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)NC[C@@H](C)C(C)C)CC1 ZINC000172666251 158397499 /nfs/dbraw/zinc/39/74/99/158397499.db2.gz WBKVOBXGEHUNLY-LLVKDONJSA-N 0 0 306.428 0.998 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000172630363 158397581 /nfs/dbraw/zinc/39/75/81/158397581.db2.gz AFGIYGUOVMKTMQ-TZMCWYRMSA-N 0 0 310.394 0.651 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172749749 158398266 /nfs/dbraw/zinc/39/82/66/158398266.db2.gz SSUVADASCRUXEZ-KKUMJFAQSA-N 0 0 312.410 0.504 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)nn1 ZINC000172769325 158399281 /nfs/dbraw/zinc/39/92/81/158399281.db2.gz OKUXJQZZLWHMHH-AWEZNQCLSA-N 0 0 321.425 0.871 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCCCCC3)CCO2)[nH]1 ZINC000173669873 158408513 /nfs/dbraw/zinc/40/85/13/158408513.db2.gz XKRYYFYFNPBGJI-CYBMUJFWSA-N 0 0 307.398 0.889 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)no1 ZINC000173992380 158413779 /nfs/dbraw/zinc/41/37/79/158413779.db2.gz MXCATJAKRVFXHL-ZDUSSCGKSA-N 0 0 323.397 0.774 10 0 DCAERN CCc1nnc(CN2CCN(c3nc(C)ns3)CC2)n1C ZINC000174731835 158421041 /nfs/dbraw/zinc/42/10/41/158421041.db2.gz DLLDDDAIIMYKHE-UHFFFAOYSA-N 0 0 307.427 0.860 10 0 DCAERN CCOC(=O)C1(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000175104404 158424207 /nfs/dbraw/zinc/42/42/07/158424207.db2.gz AXNZTGMVQMSPRM-UHFFFAOYSA-N 0 0 301.306 0.944 10 0 DCAERN CCc1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)[nH]n1 ZINC000175733280 158429299 /nfs/dbraw/zinc/42/92/99/158429299.db2.gz MKUYAAMBHPWHPK-CYBMUJFWSA-N 0 0 308.382 0.585 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)n(C)c1 ZINC000176220135 158434045 /nfs/dbraw/zinc/43/40/45/158434045.db2.gz ZORQLDVBXIZOPH-MRXNPFEDSA-N 0 0 323.393 0.041 10 0 DCAERN CC(C)n1nnnc1CNc1ccc(C(=O)NCCCO)cc1 ZINC000177243459 158445882 /nfs/dbraw/zinc/44/58/82/158445882.db2.gz MVMKPMILTTVECY-UHFFFAOYSA-N 0 0 318.381 0.978 10 0 DCAERN CCCn1nccc1NC(=O)N1CCN(CCOC)C(=O)C1 ZINC000180074394 158476372 /nfs/dbraw/zinc/47/63/72/158476372.db2.gz FGOCBWDCXQWUEX-UHFFFAOYSA-N 0 0 309.370 0.616 10 0 DCAERN O=C(NCCCOCCOCc1ccccc1)[C@H]1CNC(=O)C1 ZINC000181370306 158484866 /nfs/dbraw/zinc/48/48/66/158484866.db2.gz PXBHXKWYQBJIKO-OAHLLOKOSA-N 0 0 320.389 0.862 10 0 DCAERN CCOCCCC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183846730 158502432 /nfs/dbraw/zinc/50/24/32/158502432.db2.gz WEUIPGIWFQCBOI-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000185220445 158516731 /nfs/dbraw/zinc/51/67/31/158516731.db2.gz KMTONPARRBKYHS-GFCCVEGCSA-N 0 0 306.387 0.849 10 0 DCAERN CN1CC[C@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186395695 158531363 /nfs/dbraw/zinc/53/13/63/158531363.db2.gz VNCSSCJENYUYSQ-AWEZNQCLSA-N 0 0 316.405 0.989 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000186552226 158531911 /nfs/dbraw/zinc/53/19/11/158531911.db2.gz IQAVKWZDSOEBMD-ZDUSSCGKSA-N 0 0 303.362 0.777 10 0 DCAERN CCN(C)C(=O)[C@H](C)NS(=O)(=O)Cc1cccc(OC)c1 ZINC000188459440 158544933 /nfs/dbraw/zinc/54/49/33/158544933.db2.gz JLFCJQZNSAEISK-NSHDSACASA-N 0 0 314.407 0.981 10 0 DCAERN COc1ncccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188791886 158547081 /nfs/dbraw/zinc/54/70/81/158547081.db2.gz KYQPFCUNLOHKFD-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189249638 158550954 /nfs/dbraw/zinc/55/09/54/158550954.db2.gz ZEMBWJZXMWTTFP-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN Cc1cc(N2CCN(C(=O)CNC(=O)CC(C)(C)C)CC2)n[nH]1 ZINC000189719080 158554145 /nfs/dbraw/zinc/55/41/45/158554145.db2.gz NHKORNWKROWQQI-UHFFFAOYSA-N 0 0 321.425 0.919 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189711508 158554200 /nfs/dbraw/zinc/55/42/00/158554200.db2.gz FPVNPROKIQMRRW-LLVKDONJSA-N 0 0 308.386 0.204 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC000189645375 158554388 /nfs/dbraw/zinc/55/43/88/158554388.db2.gz YHOCDMRGYSALIB-SNVBAGLBSA-N 0 0 312.333 0.948 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000190519985 158560919 /nfs/dbraw/zinc/56/09/19/158560919.db2.gz XBVIWAIVNKLPFK-SFYZADRCSA-N 0 0 307.272 0.092 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000190863596 158564251 /nfs/dbraw/zinc/56/42/51/158564251.db2.gz GUSNZNFSRKABRJ-SECBINFHSA-N 0 0 324.406 0.771 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000194633238 158598817 /nfs/dbraw/zinc/59/88/17/158598817.db2.gz WLCBRBFWYWMKJP-JKSUJKDBSA-N 0 0 319.405 0.701 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000195207072 158606923 /nfs/dbraw/zinc/60/69/23/158606923.db2.gz ZLNRYOIRJJHWGG-BXUZGUMPSA-N 0 0 318.377 0.601 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000246217056 158659493 /nfs/dbraw/zinc/65/94/93/158659493.db2.gz PKNUKFUTPGDODI-ANTHHZPCSA-N 0 0 313.357 0.905 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1CO)CC2 ZINC000249103539 158703566 /nfs/dbraw/zinc/70/35/66/158703566.db2.gz QCPLUDQILZZLNU-IJLUTSLNSA-N 0 0 307.398 0.568 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000249485578 158708052 /nfs/dbraw/zinc/70/80/52/158708052.db2.gz CNHNKCDGPZGZNQ-YNEHKIRRSA-N 0 0 319.409 0.904 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CNC(C)=O)[C@H]1Oc1ccccc1 ZINC000251494692 158713220 /nfs/dbraw/zinc/71/32/20/158713220.db2.gz DFWYBWSEHJMEMK-SQWLQELKSA-N 0 0 306.362 0.864 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H]1COCCO1 ZINC000261912619 158753112 /nfs/dbraw/zinc/75/31/12/158753112.db2.gz HUAZKQHCRDLILL-HIFRSBDPSA-N 0 0 306.362 0.584 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000301636111 158979409 /nfs/dbraw/zinc/97/94/09/158979409.db2.gz FBQIJMNKQANONG-INIZCTEOSA-N 0 0 315.377 0.927 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)C[C@@H](C)O1 ZINC000312236708 158994844 /nfs/dbraw/zinc/99/48/44/158994844.db2.gz AWDBXZASCZVMKB-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602840 159014736 /nfs/dbraw/zinc/01/47/36/159014736.db2.gz HGIFLDCNWIPFEO-STQMWFEESA-N 0 0 315.439 0.152 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328644467 159016778 /nfs/dbraw/zinc/01/67/78/159016778.db2.gz GPXMSZQEDOOHLG-VHSXEESVSA-N 0 0 308.338 0.879 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000328648227 159016813 /nfs/dbraw/zinc/01/68/13/159016813.db2.gz AFTWNAACRPESPM-ZDUSSCGKSA-N 0 0 314.393 0.788 10 0 DCAERN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328658451 159017646 /nfs/dbraw/zinc/01/76/46/159017646.db2.gz RBTCDXPLOUUJFV-HUUCEWRRSA-N 0 0 321.421 0.463 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCN[C@@H](c2cccnc2)C1 ZINC000328662408 159018475 /nfs/dbraw/zinc/01/84/75/159018475.db2.gz XINHQMOCGUZEGG-UKRRQHHQSA-N 0 0 305.378 0.608 10 0 DCAERN O=C(C1CC1)[C@@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000328668776 159018796 /nfs/dbraw/zinc/01/87/96/159018796.db2.gz FJRXOBHOSSMBJF-GJZGRUSLSA-N 0 0 322.405 0.446 10 0 DCAERN Cn1cc([C@@]2(C)CN([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684374 159020631 /nfs/dbraw/zinc/02/06/31/159020631.db2.gz WRKDVZOEUFYLDQ-GOEBONIOSA-N 0 0 304.394 0.731 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@]12CCOC2 ZINC000328708002 159023126 /nfs/dbraw/zinc/02/31/26/159023126.db2.gz MCIJLNKUBYWXTL-RISCZKNCSA-N 0 0 314.407 0.316 10 0 DCAERN COc1cccc(CC(=O)N2CCC[C@H]2CN2CCOCC2)n1 ZINC000328713837 159023328 /nfs/dbraw/zinc/02/33/28/159023328.db2.gz CUUBJQJBTXUSMQ-HNNXBMFYSA-N 0 0 319.405 0.956 10 0 DCAERN C[C@H](CC(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CCCCC1=O ZINC000328752995 159026674 /nfs/dbraw/zinc/02/66/74/159026674.db2.gz NNQCTTXJEUOXMA-VXGBXAGGSA-N 0 0 308.382 0.218 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328754226 159026693 /nfs/dbraw/zinc/02/66/93/159026693.db2.gz DSOIOTFFKDTOCW-GHMZBOCLSA-N 0 0 317.411 0.283 10 0 DCAERN Cn1nccc1COCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328843738 159034133 /nfs/dbraw/zinc/03/41/33/159034133.db2.gz WKRSJUSNYMZPJM-CYBMUJFWSA-N 0 0 303.366 0.997 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915037 159040831 /nfs/dbraw/zinc/04/08/31/159040831.db2.gz QOUFYDRYHDLTGT-ZJUUUORDSA-N 0 0 314.436 0.562 10 0 DCAERN CN1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926897 159042760 /nfs/dbraw/zinc/04/27/60/159042760.db2.gz WSFRUBCHISBPFZ-ZJUUUORDSA-N 0 0 320.319 0.140 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328930181 159043353 /nfs/dbraw/zinc/04/33/53/159043353.db2.gz YYTCCOFLVFUMFP-MNOVXSKESA-N 0 0 307.354 0.851 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCC[C@H]1Cn1ccnn1 ZINC000328936375 159044302 /nfs/dbraw/zinc/04/43/02/159044302.db2.gz QRCUWRLVKZQZRJ-NWDGAFQWSA-N 0 0 300.384 0.251 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)no1 ZINC000328947631 159045095 /nfs/dbraw/zinc/04/50/95/159045095.db2.gz KFTIAFPPMDUDAK-LBPRGKRZSA-N 0 0 317.349 0.416 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@@H]2CCOC2)N(C)C1 ZINC000328968136 159048511 /nfs/dbraw/zinc/04/85/11/159048511.db2.gz UALVNDJAJISBJA-AVGNSLFASA-N 0 0 308.382 0.577 10 0 DCAERN O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329010527 159051601 /nfs/dbraw/zinc/05/16/01/159051601.db2.gz DMASUCPNGIXRKH-QWHCGFSZSA-N 0 0 320.393 0.720 10 0 DCAERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)COC[C@H]1CCOC1 ZINC000329009166 159051962 /nfs/dbraw/zinc/05/19/62/159051962.db2.gz ZWUWYEGOCRYEMD-UONOGXRCSA-N 0 0 323.393 0.980 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OC)[C@H](OC)C1 ZINC000329060993 159057037 /nfs/dbraw/zinc/05/70/37/159057037.db2.gz USTUAJREABTBRV-AAVRWANBSA-N 0 0 323.393 0.853 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 ZINC000329229185 159074766 /nfs/dbraw/zinc/07/47/66/159074766.db2.gz CKBVBSVEMRFHRO-NEPJUHHUSA-N 0 0 300.384 0.281 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CCc3cncnc3C2)cn1 ZINC000329268786 159078611 /nfs/dbraw/zinc/07/86/11/159078611.db2.gz IFUJWHUZPJTGOO-UHFFFAOYSA-N 0 0 319.390 0.685 10 0 DCAERN CN(C(=O)[C@H]1CCCN1C(=O)C1CCCC1)[C@@H]1COC[C@H]1O ZINC000329377627 159087185 /nfs/dbraw/zinc/08/71/85/159087185.db2.gz MGHWHUFTTDQJLA-MGPQQGTHSA-N 0 0 310.394 0.386 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)Cn1cccnc1=O)C2 ZINC000329427240 159091286 /nfs/dbraw/zinc/09/12/86/159091286.db2.gz JBPHHZJZVGUDPV-UHFFFAOYSA-N 0 0 315.377 0.685 10 0 DCAERN C[C@@H]1CN(C(=O)c2nnc3ccccc3n2)CCS1(=O)=O ZINC000329443477 159092970 /nfs/dbraw/zinc/09/29/70/159092970.db2.gz AWOVWGZLFCLVTD-SECBINFHSA-N 0 0 306.347 0.284 10 0 DCAERN Cc1cnn(CCC(=O)N2CCO[C@H](c3noc(C)n3)C2)c1 ZINC000329522533 159099981 /nfs/dbraw/zinc/09/99/81/159099981.db2.gz GDHSXCINXZOKTF-LBPRGKRZSA-N 0 0 305.338 0.873 10 0 DCAERN C[C@@H]1CCCN(C(=O)c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000329559147 159102275 /nfs/dbraw/zinc/10/22/75/159102275.db2.gz FNFOMHRLXHMFPB-NEPJUHHUSA-N 0 0 305.382 0.614 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)[C@H]1CCOC1 ZINC000329655766 159109926 /nfs/dbraw/zinc/10/99/26/159109926.db2.gz FYAXNCYLLWJBJW-GZBFAFLISA-N 0 0 320.393 0.577 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCC[C@@H](n3cncn3)C2)s1 ZINC000329694177 159113039 /nfs/dbraw/zinc/11/30/39/159113039.db2.gz AYULOHDMSTZVAK-MRVPVSSYSA-N 0 0 314.396 0.224 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC1=O ZINC000329750945 159117356 /nfs/dbraw/zinc/11/73/56/159117356.db2.gz VGLNRDJNZMZXJK-MCIONIFRSA-N 0 0 309.410 0.034 10 0 DCAERN O=C(CSc1nncs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329757944 159117398 /nfs/dbraw/zinc/11/73/98/159117398.db2.gz ZSGLHZBFAKCDRT-SNVBAGLBSA-N 0 0 314.436 0.563 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC1CC1 ZINC000329906084 159127773 /nfs/dbraw/zinc/12/77/73/159127773.db2.gz JYFFTXRIEFNQID-SNVBAGLBSA-N 0 0 300.384 0.589 10 0 DCAERN CCn1nccc1NC(=O)N1CCCN(CCOC)C(=O)C1 ZINC000329932521 159129747 /nfs/dbraw/zinc/12/97/47/159129747.db2.gz BBFGJYACZFDRGQ-UHFFFAOYSA-N 0 0 309.370 0.616 10 0 DCAERN O=C(c1cnn2ccncc12)N1CC[C@H](N2CCOCC2)C1 ZINC000330011782 159135242 /nfs/dbraw/zinc/13/52/42/159135242.db2.gz JMNHBXOHDNJSJP-LBPRGKRZSA-N 0 0 301.350 0.276 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3ccncc23)[C@@H](C)C1 ZINC000330018613 159136012 /nfs/dbraw/zinc/13/60/12/159136012.db2.gz TUUGBLCDVMWQFR-NWDGAFQWSA-N 0 0 303.366 0.256 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCCO[C@@H]3C)CCO2)n1 ZINC000330054937 159138777 /nfs/dbraw/zinc/13/87/77/159138777.db2.gz SVCRFAOSLXYFMX-BYCMXARLSA-N 0 0 322.409 0.937 10 0 DCAERN O=C(C[S@](=O)[C@@H]1CCOC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000330153393 159146719 /nfs/dbraw/zinc/14/67/19/159146719.db2.gz XEDVFIGBWPBEBV-QDVDLPMUSA-N 0 0 301.408 0.694 10 0 DCAERN O=C(N1CCO[C@H](COCC2CC2)C1)[C@]1(O)CCSC1 ZINC000330176192 159147938 /nfs/dbraw/zinc/14/79/38/159147938.db2.gz JSFPDLFSLMLDEB-JSGCOSHPSA-N 0 0 301.408 0.508 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCN1CCO ZINC000330193062 159149721 /nfs/dbraw/zinc/14/97/21/159149721.db2.gz AGBAGMRCJFEDJF-UMVBOHGHSA-N 0 0 322.409 0.023 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000330254716 159153979 /nfs/dbraw/zinc/15/39/79/159153979.db2.gz AYXFSFYBJGJXTM-LALPHHSUSA-N 0 0 320.393 0.495 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000330294559 159157419 /nfs/dbraw/zinc/15/74/19/159157419.db2.gz IQFQSNQCSJXWLM-GLXKHTEVSA-N 0 0 318.464 0.667 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@]2(O)CCSC2)C1 ZINC000330354659 159162106 /nfs/dbraw/zinc/16/21/06/159162106.db2.gz PRFHFJGOZLOCHP-OPQQBVKSSA-N 0 0 313.379 0.534 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CC[C@@H](O)C12CCCC2 ZINC000330360040 159163423 /nfs/dbraw/zinc/16/34/23/159163423.db2.gz WRMOINNSGIWELG-LLVKDONJSA-N 0 0 311.407 0.897 10 0 DCAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@]1(CO)CCOC1 ZINC000332862091 159215152 /nfs/dbraw/zinc/21/51/52/159215152.db2.gz PXTSQUUIERIERU-DOMZBBRYSA-N 0 0 322.386 0.757 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CC[C@@H](C)[C@H]2C)nn1 ZINC000332906069 159216541 /nfs/dbraw/zinc/21/65/41/159216541.db2.gz ZJONPTHBJYLPHB-HBJVGIJOSA-N 0 0 323.397 0.804 10 0 DCAERN CCO[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000332962452 159217991 /nfs/dbraw/zinc/21/79/91/159217991.db2.gz CBPJPHMVWWKNCA-CYDGBPFRSA-N 0 0 308.357 0.935 10 0 DCAERN COc1ccc(CN(C)C(=O)[C@@H](C)N2CC(=O)N(C)C2)cc1F ZINC000360477444 159270827 /nfs/dbraw/zinc/27/08/27/159270827.db2.gz XYSKHTXLBYDBKP-LLVKDONJSA-N 0 0 323.368 0.913 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000367083947 159312068 /nfs/dbraw/zinc/31/20/68/159312068.db2.gz JZVXBEWDZHFGMI-LSDHHAIUSA-N 0 0 302.378 0.565 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c[nH]c(=S)[nH]1 ZINC000367124365 159315361 /nfs/dbraw/zinc/31/53/61/159315361.db2.gz GEXSJAVOCQJCNT-SECBINFHSA-N 0 0 310.379 0.208 10 0 DCAERN CC1(C)OC(=O)c2c1ccnc2N[C@@H]1CCCN(CCO)C1=O ZINC000367167429 159318371 /nfs/dbraw/zinc/31/83/71/159318371.db2.gz ZBOUKLVYKOVALH-LLVKDONJSA-N 0 0 319.361 0.882 10 0 DCAERN CCCc1occc1C(=O)N1CC[C@H](S(=O)(=O)NC)C1 ZINC000367179079 159319272 /nfs/dbraw/zinc/31/92/72/159319272.db2.gz DJYYWKIFEAPYDL-JTQLQIEISA-N 0 0 300.380 0.996 10 0 DCAERN COC(=O)C1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367247485 159325459 /nfs/dbraw/zinc/32/54/59/159325459.db2.gz VZWFNQBNPIHTRV-NEPJUHHUSA-N 0 0 311.378 0.624 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000367265151 159326285 /nfs/dbraw/zinc/32/62/85/159326285.db2.gz SNTNWWGLANWGOD-IINYFYTJSA-N 0 0 320.361 0.459 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000367618848 159347501 /nfs/dbraw/zinc/34/75/01/159347501.db2.gz OJQUDLPGSISBLS-IGHBBLSQSA-N 0 0 307.394 0.513 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000367655804 159349196 /nfs/dbraw/zinc/34/91/96/159349196.db2.gz CZIAGJUKARSXKV-LLVKDONJSA-N 0 0 311.382 0.734 10 0 DCAERN C[C@H]1CCOCCN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000367740408 159353025 /nfs/dbraw/zinc/35/30/25/159353025.db2.gz LJYRYKBICDFTLH-LBPRGKRZSA-N 0 0 303.362 0.977 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)cn1 ZINC000367794817 159356327 /nfs/dbraw/zinc/35/63/27/159356327.db2.gz TUYGLKICWAQEFZ-ZDUSSCGKSA-N 0 0 311.407 0.947 10 0 DCAERN CCc1nc(NC(=O)CN2CCN3CCOC[C@H]3C2)sc1C ZINC000368222833 159382694 /nfs/dbraw/zinc/38/26/94/159382694.db2.gz MWLMOCJDBOVRJU-GFCCVEGCSA-N 0 0 324.450 0.969 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC(n2ccnn2)C1 ZINC000368601901 159405455 /nfs/dbraw/zinc/40/54/55/159405455.db2.gz HIXQUOWTCYOYDJ-NSHDSACASA-N 0 0 315.333 0.303 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000370455448 159520612 /nfs/dbraw/zinc/52/06/12/159520612.db2.gz QRWAGNIWFBTVDR-GPCCPHFNSA-N 0 0 309.366 0.127 10 0 DCAERN NC(=O)C1(NC(=O)c2cc(-c3cccnc3)on2)CCOCC1 ZINC000371221407 159553517 /nfs/dbraw/zinc/55/35/17/159553517.db2.gz XEVUNWPPVZKCLP-UHFFFAOYSA-N 0 0 316.317 0.501 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000375733885 159814062 /nfs/dbraw/zinc/81/40/62/159814062.db2.gz LPLVQURIMYKRIO-CJNGLKHVSA-N 0 0 320.414 0.856 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000376314674 159850076 /nfs/dbraw/zinc/85/00/76/159850076.db2.gz CNVDTFLYITWHDM-VHSXEESVSA-N 0 0 320.798 0.814 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@H]1O[C@H](C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000407954812 159996523 /nfs/dbraw/zinc/99/65/23/159996523.db2.gz HTYYREVJBUXQOG-DGAVXFQQSA-N 0 0 312.410 0.800 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CC(=O)N(C)[C@@H](C)C3)n2)n1 ZINC000407956426 159996629 /nfs/dbraw/zinc/99/66/29/159996629.db2.gz VKNQOVPHBRMNNS-LBPRGKRZSA-N 0 0 300.366 0.946 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1nc(C)sc1C ZINC000407962076 159998029 /nfs/dbraw/zinc/99/80/29/159998029.db2.gz LHFVGJWXJYPQSL-JTQLQIEISA-N 0 0 317.436 0.914 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407966759 159998668 /nfs/dbraw/zinc/99/86/68/159998668.db2.gz OPOCBRQFDRSTMG-RYUDHWBXSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000407967703 159999092 /nfs/dbraw/zinc/99/90/92/159999092.db2.gz QYLHRTKILXIHPB-JTQLQIEISA-N 0 0 310.398 0.306 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407968016 159999226 /nfs/dbraw/zinc/99/92/26/159999226.db2.gz DYRCBKJCTPYZFN-SNVBAGLBSA-N 0 0 307.398 0.452 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC(C)C1 ZINC000407979857 160001367 /nfs/dbraw/zinc/00/13/67/160001367.db2.gz GKFFSHXUNNIBJA-SNVBAGLBSA-N 0 0 314.411 0.182 10 0 DCAERN CNC(=O)NC1CN(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 ZINC000407980662 160001895 /nfs/dbraw/zinc/00/18/95/160001895.db2.gz NKMXMMIQJDJOKT-UHFFFAOYSA-N 0 0 316.365 0.339 10 0 DCAERN CC1(C)C[C@@H](NS(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000407984135 160002575 /nfs/dbraw/zinc/00/25/75/160002575.db2.gz VYIKVXBMSLRAQL-JTQLQIEISA-N 0 0 313.441 0.298 10 0 DCAERN CC(=O)NCC1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000407988852 160004038 /nfs/dbraw/zinc/00/40/38/160004038.db2.gz GUGIQILBIDWACV-ZDUSSCGKSA-N 0 0 313.423 0.283 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000407996595 160006023 /nfs/dbraw/zinc/00/60/23/160006023.db2.gz RCIZYJKWICOSNP-NSHDSACASA-N 0 0 319.427 0.038 10 0 DCAERN Cc1cc(CO)oc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000407994812 160006242 /nfs/dbraw/zinc/00/62/42/160006242.db2.gz FBYCDJUOLPJTCI-UHFFFAOYSA-N 0 0 301.364 0.730 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCSC2(CCCCC2)C1 ZINC000407999736 160007170 /nfs/dbraw/zinc/00/71/70/160007170.db2.gz XBQBKISTJQWOCD-UHFFFAOYSA-N 0 0 321.468 0.319 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)C[C@H](C)O1 ZINC000408003559 160007914 /nfs/dbraw/zinc/00/79/14/160007914.db2.gz JLTLNEPXNUJRHW-YIZRAAEISA-N 0 0 320.333 0.243 10 0 DCAERN CC1CCC(N2C[C@H](C(=O)N3CCO[C@@H](CO)C3)CC2=O)CC1 ZINC000408004882 160008660 /nfs/dbraw/zinc/00/86/60/160008660.db2.gz ZWFJQJNDURPVHD-HXSCFSKGSA-N 0 0 324.421 0.633 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)c(C)s1 ZINC000408006471 160008714 /nfs/dbraw/zinc/00/87/14/160008714.db2.gz AVXHHTDIYICTMT-QMMMGPOBSA-N 0 0 302.377 0.401 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(COC)CC1 ZINC000408006597 160008725 /nfs/dbraw/zinc/00/87/25/160008725.db2.gz BAWIYYUSKAIQKT-LLVKDONJSA-N 0 0 316.423 0.298 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408016016 160012496 /nfs/dbraw/zinc/01/24/96/160012496.db2.gz HBWPRVORZXMAFT-CHWSQXEVSA-N 0 0 306.428 0.146 10 0 DCAERN CN(CC1(O)CCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018577 160012685 /nfs/dbraw/zinc/01/26/85/160012685.db2.gz TYAAGLWQBCGWHI-NSHDSACASA-N 0 0 304.412 0.462 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000408020156 160013507 /nfs/dbraw/zinc/01/35/07/160013507.db2.gz ZEYKEXDBFXYDFM-SNVBAGLBSA-N 0 0 301.368 0.271 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408028801 160015640 /nfs/dbraw/zinc/01/56/40/160015640.db2.gz QPQDKQJDPNJECH-MWLCHTKSSA-N 0 0 318.399 0.031 10 0 DCAERN CC(C)N(C)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408029959 160016319 /nfs/dbraw/zinc/01/63/19/160016319.db2.gz ZHTAEEJPWBVKCT-NEPJUHHUSA-N 0 0 301.362 0.718 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000408029981 160017059 /nfs/dbraw/zinc/01/70/59/160017059.db2.gz WUATYVYJORPUNF-ZJUUUORDSA-N 0 0 303.388 0.153 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000408034775 160017393 /nfs/dbraw/zinc/01/73/93/160017393.db2.gz HJVQYJQMEWGLTE-XQLPTFJDSA-N 0 0 312.410 0.238 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NC[C@@H](O)C2CCCCC2)C1 ZINC000408050405 160023663 /nfs/dbraw/zinc/02/36/63/160023663.db2.gz CTEJDKRJDOMXSV-ZBFHGGJFSA-N 0 0 312.410 0.417 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C(N)=O ZINC000408054476 160024234 /nfs/dbraw/zinc/02/42/34/160024234.db2.gz LZOAAXHOYVZPPP-RAIGVLPGSA-N 0 0 307.394 0.215 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)C2(S(C)(=O)=O)CCOCC2)O1 ZINC000408055264 160025071 /nfs/dbraw/zinc/02/50/71/160025071.db2.gz RYDCYYODVBEQKX-LLVKDONJSA-N 0 0 319.423 0.654 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCc2nc(C)c(C)s2)C1 ZINC000408055548 160025127 /nfs/dbraw/zinc/02/51/27/160025127.db2.gz YIZKRMATXMCEIS-AWEZNQCLSA-N 0 0 311.407 0.750 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2noc3c2CCCCC3)C1 ZINC000408056072 160025129 /nfs/dbraw/zinc/02/51/29/160025129.db2.gz CKHWAGNMAYMLJK-OAHLLOKOSA-N 0 0 307.350 0.396 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)nc1C ZINC000408059596 160025713 /nfs/dbraw/zinc/02/57/13/160025713.db2.gz RAWULXPREKPCLB-GFCCVEGCSA-N 0 0 314.411 0.501 10 0 DCAERN CO[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC[C@H]1C ZINC000408059082 160025977 /nfs/dbraw/zinc/02/59/77/160025977.db2.gz BOYJYTYIXMSXFF-VXGBXAGGSA-N 0 0 319.423 0.464 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C(N)=O ZINC000408058761 160025992 /nfs/dbraw/zinc/02/59/92/160025992.db2.gz DHMSIBRQBXESAE-NZHONMPCSA-N 0 0 311.407 0.020 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cn12 ZINC000408061621 160026667 /nfs/dbraw/zinc/02/66/67/160026667.db2.gz KUAYCGCIKTVFPH-CQSZACIVSA-N 0 0 315.377 0.584 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC000408074203 160030388 /nfs/dbraw/zinc/03/03/88/160030388.db2.gz OWOFXMBYWISSBX-ZDUSSCGKSA-N 0 0 324.425 0.507 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000408074219 160030420 /nfs/dbraw/zinc/03/04/20/160030420.db2.gz PEMOQLUWBDNWMB-BPCQOVAHSA-N 0 0 309.410 0.794 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCO1 ZINC000408084156 160031791 /nfs/dbraw/zinc/03/17/91/160031791.db2.gz NCKUKYDRZOZAST-QNWHQSFQSA-N 0 0 306.428 0.745 10 0 DCAERN CC1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000408090005 160033517 /nfs/dbraw/zinc/03/35/17/160033517.db2.gz UEZSLGFKSUKFJG-JSGCOSHPSA-N 0 0 307.394 0.418 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408092205 160034357 /nfs/dbraw/zinc/03/43/57/160034357.db2.gz KPMIXXYQAQBIRF-ABAIWWIYSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C[C@H]1O ZINC000408091873 160034473 /nfs/dbraw/zinc/03/44/73/160034473.db2.gz QRRZATOEWHUDDU-YWPUVAFDSA-N 0 0 318.439 0.755 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cnc3c(C)cccn3c2=O)C[C@@H]1O ZINC000408098430 160035655 /nfs/dbraw/zinc/03/56/55/160035655.db2.gz USBNVALCRWSJOS-YPMHNXCESA-N 0 0 301.346 0.846 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC(O)CC2)c(Cl)c1 ZINC000408100023 160035813 /nfs/dbraw/zinc/03/58/13/160035813.db2.gz PAJLPDFWDCUXHP-UHFFFAOYSA-N 0 0 318.782 0.584 10 0 DCAERN O=C(CC1CCCC1)NC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000408111026 160038134 /nfs/dbraw/zinc/03/81/34/160038134.db2.gz YICKJGACXYEFGG-CYBMUJFWSA-N 0 0 321.421 0.810 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408113809 160038699 /nfs/dbraw/zinc/03/86/99/160038699.db2.gz AQVAWZRTLKPDRQ-GMSGAONNSA-N 0 0 302.352 0.078 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000408119569 160040357 /nfs/dbraw/zinc/04/03/57/160040357.db2.gz LFDUFRQBVNUHNV-DOMZBBRYSA-N 0 0 300.374 0.956 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408131651 160044483 /nfs/dbraw/zinc/04/44/83/160044483.db2.gz ZVBGAAIQMWWJQB-NWDGAFQWSA-N 0 0 316.423 0.281 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000408139333 160046213 /nfs/dbraw/zinc/04/62/13/160046213.db2.gz GHWJFTVLSSJIHI-XQQFMLRXSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000408142777 160047064 /nfs/dbraw/zinc/04/70/64/160047064.db2.gz YIMDGSYXAWDOPO-JTQLQIEISA-N 0 0 308.367 0.661 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159716 160049722 /nfs/dbraw/zinc/04/97/22/160049722.db2.gz HCSALPGMJFSADS-HZSPNIEDSA-N 0 0 323.437 0.912 10 0 DCAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1 ZINC000408163173 160050257 /nfs/dbraw/zinc/05/02/57/160050257.db2.gz BUEDFFXZGDGZIL-BDAKNGLRSA-N 0 0 303.318 0.985 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408164057 160050553 /nfs/dbraw/zinc/05/05/53/160050553.db2.gz GFGCQZNIAZNGNK-YNEHKIRRSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408185952 160054872 /nfs/dbraw/zinc/05/48/72/160054872.db2.gz FRFVYIBZWPFKIN-QWRGUYRKSA-N 0 0 306.428 0.133 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC(O)CC2)[C@@H]1c1cccnc1 ZINC000408189213 160055711 /nfs/dbraw/zinc/05/57/11/160055711.db2.gz MNELBPGDCPAJOS-HIFRSBDPSA-N 0 0 303.362 0.584 10 0 DCAERN CCc1c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)[nH]c(C)c1C(N)=O ZINC000408189515 160055897 /nfs/dbraw/zinc/05/58/97/160055897.db2.gz XFICYPJASDDRIN-MVWJERBFSA-N 0 0 305.378 0.827 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC(O)CC2)[C@H]1c1cccnc1 ZINC000408189214 160056166 /nfs/dbraw/zinc/05/61/66/160056166.db2.gz MNELBPGDCPAJOS-UKRRQHHQSA-N 0 0 303.362 0.584 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000408194609 160056718 /nfs/dbraw/zinc/05/67/18/160056718.db2.gz YPVZEFFNUZKUDJ-LLVKDONJSA-N 0 0 303.424 0.963 10 0 DCAERN O=C(C(=O)N1CCN(CC[C@@H]2CCCCO2)CC1)N1CCCC1 ZINC000408195518 160057689 /nfs/dbraw/zinc/05/76/89/160057689.db2.gz QKUYHPQDTNUBLM-HNNXBMFYSA-N 0 0 323.437 0.712 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CCO2)[nH]1 ZINC000408201843 160059066 /nfs/dbraw/zinc/05/90/66/160059066.db2.gz GOZROCACPZHGIV-DCAQKATOSA-N 0 0 321.381 0.182 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)CC(=O)N1 ZINC000408203164 160059069 /nfs/dbraw/zinc/05/90/69/160059069.db2.gz PIJVREAOZYJOSI-NEPJUHHUSA-N 0 0 324.425 0.506 10 0 DCAERN COCc1n[nH]c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000408203634 160059138 /nfs/dbraw/zinc/05/91/38/160059138.db2.gz DTCSKCFLYFNUAZ-SECBINFHSA-N 0 0 303.388 0.285 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCNC(=O)[C@H]2c2cccs2)CC(=O)N1 ZINC000408204687 160059181 /nfs/dbraw/zinc/05/91/81/160059181.db2.gz OKNNUKCBTBOGHW-GBIKHYSHSA-N 0 0 321.402 0.662 10 0 DCAERN COCc1n[nH]c([C@H]2CCCCN2S(=O)(=O)NC(C)C)n1 ZINC000408207465 160059742 /nfs/dbraw/zinc/05/97/42/160059742.db2.gz SDXJGICWUJWDOT-SNVBAGLBSA-N 0 0 317.415 0.721 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000408205873 160060219 /nfs/dbraw/zinc/06/02/19/160060219.db2.gz LUDHQWLXCSJYLA-QWHCGFSZSA-N 0 0 310.398 0.165 10 0 DCAERN CC(C)(O)CN1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408207398 160060284 /nfs/dbraw/zinc/06/02/84/160060284.db2.gz RXGFQBJAZJYWRR-UHFFFAOYSA-N 0 0 305.444 0.152 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000408209193 160060783 /nfs/dbraw/zinc/06/07/83/160060783.db2.gz ZBKXGGOZCVDJTO-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[S@](=O)[C@@H](C)C1 ZINC000408212187 160061651 /nfs/dbraw/zinc/06/16/51/160061651.db2.gz UYVFJBQSUQANTD-AUKWLOTRSA-N 0 0 303.428 0.452 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCS(=O)(=O)C[C@@H]2C)cnn1C ZINC000408213075 160061734 /nfs/dbraw/zinc/06/17/34/160061734.db2.gz CKFSRKWHVHSHIK-UWVGGRQHSA-N 0 0 314.411 0.618 10 0 DCAERN CN1CCN(CC(=O)NC2CCC(C(F)(F)F)CC2)CC1=O ZINC000408216484 160062287 /nfs/dbraw/zinc/06/22/87/160062287.db2.gz IDUQKWXQQCMJTJ-UHFFFAOYSA-N 0 0 321.343 0.998 10 0 DCAERN O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(F)c(F)c1 ZINC000408219324 160062351 /nfs/dbraw/zinc/06/23/51/160062351.db2.gz MQGXACDNYAYZMP-BXKDBHETSA-N 0 0 316.329 0.864 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)c2cnccc2C)CC1 ZINC000408223889 160063316 /nfs/dbraw/zinc/06/33/16/160063316.db2.gz FQLSKWASVSCKCQ-UHFFFAOYSA-N 0 0 312.395 0.426 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000408231286 160064506 /nfs/dbraw/zinc/06/45/06/160064506.db2.gz HBHAIYBDNCGGIS-CYBMUJFWSA-N 0 0 314.411 0.233 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408230248 160064781 /nfs/dbraw/zinc/06/47/81/160064781.db2.gz FDRPSSXHMYHXPY-VHSXEESVSA-N 0 0 317.336 0.083 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000408236653 160066029 /nfs/dbraw/zinc/06/60/29/160066029.db2.gz JZSKEWRYMMVZNX-UWVGGRQHSA-N 0 0 308.350 0.384 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000408236655 160066445 /nfs/dbraw/zinc/06/64/45/160066445.db2.gz JZSKEWRYMMVZNX-ZJUUUORDSA-N 0 0 308.350 0.384 10 0 DCAERN CN1CCOc2ccc(NC(=O)N3C[C@@H](O)C[C@@H]3CO)cc21 ZINC000408238040 160067013 /nfs/dbraw/zinc/06/70/13/160067013.db2.gz QRUXTZWMGIKSBJ-NEPJUHHUSA-N 0 0 307.350 0.475 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408250256 160070059 /nfs/dbraw/zinc/07/00/59/160070059.db2.gz KGRXEXLZPCFPNW-OAHLLOKOSA-N 0 0 310.398 0.070 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000408256929 160070661 /nfs/dbraw/zinc/07/06/61/160070661.db2.gz NKOWYHMFMICUQT-NQBHXWOUSA-N 0 0 303.428 0.454 10 0 DCAERN CC1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000408265547 160072088 /nfs/dbraw/zinc/07/20/88/160072088.db2.gz RYVWUHKUBJCLRY-UHFFFAOYSA-N 0 0 323.418 0.961 10 0 DCAERN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408272855 160073594 /nfs/dbraw/zinc/07/35/94/160073594.db2.gz KDOPONMUHKCMBV-FRRDWIJNSA-N 0 0 302.440 0.752 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csnn1 ZINC000408278212 160075065 /nfs/dbraw/zinc/07/50/65/160075065.db2.gz UQXYZIIYDDTMII-JGVFFNPUSA-N 0 0 304.397 0.128 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000408288150 160076494 /nfs/dbraw/zinc/07/64/94/160076494.db2.gz VXIBWJIITOFFFK-LLVKDONJSA-N 0 0 305.382 0.639 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000408291902 160077407 /nfs/dbraw/zinc/07/74/07/160077407.db2.gz QKNFVCPDPKDFMT-CYBMUJFWSA-N 0 0 317.389 0.874 10 0 DCAERN CCN1CCN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1c1ncc[nH]1 ZINC000408294691 160078436 /nfs/dbraw/zinc/07/84/36/160078436.db2.gz OHVSZJLCOKHVOW-CYBMUJFWSA-N 0 0 305.382 0.093 10 0 DCAERN C[C@]1(CO)CCC[C@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000408301096 160079773 /nfs/dbraw/zinc/07/97/73/160079773.db2.gz NXNGKEDUQJWOPU-QMTHXVAHSA-N 0 0 309.391 0.630 10 0 DCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CCN(Cc2ccco2)CC1 ZINC000408306470 160081507 /nfs/dbraw/zinc/08/15/07/160081507.db2.gz ACUPGFZBBFDPIE-GTJPDFRWSA-N 0 0 311.407 0.628 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 ZINC000408307557 160081806 /nfs/dbraw/zinc/08/18/06/160081806.db2.gz FCABDYNYWPPLHC-YBTHPKLGSA-N 0 0 302.396 0.492 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C ZINC000408321191 160084623 /nfs/dbraw/zinc/08/46/23/160084623.db2.gz QHJLOMQFKZSKHU-LDYMZIIASA-N 0 0 307.350 0.658 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)CC(=O)N1 ZINC000408323516 160084691 /nfs/dbraw/zinc/08/46/91/160084691.db2.gz ZFBUNMVDKYQFFB-WUHRBBMRSA-N 0 0 310.394 0.949 10 0 DCAERN CC(C)c1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)[nH]n1 ZINC000408325117 160085429 /nfs/dbraw/zinc/08/54/29/160085429.db2.gz WHGRBCBWNZHCGX-UHFFFAOYSA-N 0 0 301.350 0.825 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408350525 160090131 /nfs/dbraw/zinc/09/01/31/160090131.db2.gz RXVSADCVAZWFQU-YNEHKIRRSA-N 0 0 315.435 0.869 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)o1 ZINC000408354052 160090670 /nfs/dbraw/zinc/09/06/70/160090670.db2.gz HOGSDJAYEZWNPZ-UHFFFAOYSA-N 0 0 305.334 0.965 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000408359436 160091491 /nfs/dbraw/zinc/09/14/91/160091491.db2.gz MOAMMFSJPXUXDI-NEPJUHHUSA-N 0 0 304.412 0.198 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408364078 160092045 /nfs/dbraw/zinc/09/20/45/160092045.db2.gz GEFZEUNHKLYLQN-GWCFXTLKSA-N 0 0 300.380 0.462 10 0 DCAERN CCN(C)S(=O)(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000408365437 160093045 /nfs/dbraw/zinc/09/30/45/160093045.db2.gz GYQCEFDGVDWRLQ-ZDUSSCGKSA-N 0 0 305.444 0.226 10 0 DCAERN O=C(N1CCC(O)(C(F)F)CC1)C1(N2CCOCC2)CCC1 ZINC000408374366 160094574 /nfs/dbraw/zinc/09/45/74/160094574.db2.gz HRFTUGBLTHWWTD-UHFFFAOYSA-N 0 0 318.364 0.860 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC000408377009 160095185 /nfs/dbraw/zinc/09/51/85/160095185.db2.gz YWHBEZNRYVDRFL-AGIUHOORSA-N 0 0 318.439 0.732 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000408375915 160095220 /nfs/dbraw/zinc/09/52/20/160095220.db2.gz LTDCOYPNOKOPPQ-CABZTGNLSA-N 0 0 304.350 0.820 10 0 DCAERN CCCN1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C(C)(C)C1=O ZINC000408380368 160095839 /nfs/dbraw/zinc/09/58/39/160095839.db2.gz YCHJPWFCXTXQIA-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2CCC[C@@H](C)C2)n1 ZINC000408390151 160098473 /nfs/dbraw/zinc/09/84/73/160098473.db2.gz RMCWTRVDBYGSRZ-KGYLQXTDSA-N 0 0 308.382 0.744 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000408393593 160098905 /nfs/dbraw/zinc/09/89/05/160098905.db2.gz KGFXPIVKGHZQJB-PWSUYJOCSA-N 0 0 314.411 0.411 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)Nc2ccnn2C)CCN1C ZINC000408393216 160099160 /nfs/dbraw/zinc/09/91/60/160099160.db2.gz HRCUVNVUERUUPA-LLVKDONJSA-N 0 0 303.370 0.674 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)O1 ZINC000408393790 160099276 /nfs/dbraw/zinc/09/92/76/160099276.db2.gz GYHLBZOBXIPPTA-FRRDWIJNSA-N 0 0 318.439 0.873 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)nn1C ZINC000408399522 160100532 /nfs/dbraw/zinc/10/05/32/160100532.db2.gz IHKHONZCIRZSEK-LLVKDONJSA-N 0 0 314.411 0.271 10 0 DCAERN C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408406044 160101947 /nfs/dbraw/zinc/10/19/47/160101947.db2.gz PBZYMTLOVLRFRS-UTUOFQBUSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000408407219 160102102 /nfs/dbraw/zinc/10/21/02/160102102.db2.gz QBXKECHOGMUKFJ-CHWSQXEVSA-N 0 0 320.397 0.732 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408413713 160103668 /nfs/dbraw/zinc/10/36/68/160103668.db2.gz CXMFPMBLKTUPDG-VXGBXAGGSA-N 0 0 305.382 0.876 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408430303 160107024 /nfs/dbraw/zinc/10/70/24/160107024.db2.gz RWRWHYIKDOIADF-VXGBXAGGSA-N 0 0 306.428 0.577 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408435512 160107742 /nfs/dbraw/zinc/10/77/42/160107742.db2.gz XXWZIRLTKJWRBS-VWYCJHECSA-N 0 0 312.457 0.044 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408452058 160110986 /nfs/dbraw/zinc/11/09/86/160110986.db2.gz NLDXVUCVDTZUNS-OLZOCXBDSA-N 0 0 318.439 0.277 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1CC12CCC(CC1)C2 ZINC000408459458 160112680 /nfs/dbraw/zinc/11/26/80/160112680.db2.gz XWTZADLQTYOMKI-MBHSVXNSSA-N 0 0 301.408 0.839 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000408459418 160112932 /nfs/dbraw/zinc/11/29/32/160112932.db2.gz XUAXFJJVGNPJAC-UHFFFAOYSA-N 0 0 311.407 0.360 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408460818 160113424 /nfs/dbraw/zinc/11/34/24/160113424.db2.gz RLPAOEAOBYYBCW-MJBXVCDLSA-N 0 0 320.455 0.394 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000408464840 160114839 /nfs/dbraw/zinc/11/48/39/160114839.db2.gz FWXPUJSWPGDTLA-VIFPVBQESA-N 0 0 320.212 0.972 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408470238 160115255 /nfs/dbraw/zinc/11/52/55/160115255.db2.gz QGFVVINGSGXIBE-MNOVXSKESA-N 0 0 317.415 0.303 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCC[C@H]2C)n1 ZINC000408473064 160115477 /nfs/dbraw/zinc/11/54/77/160115477.db2.gz YNQNAXDYBKRIIQ-RAIGVLPGSA-N 0 0 308.382 0.887 10 0 DCAERN Cc1nn(CC(=O)N2CCO[C@@H]([C@H](C)O)C2)c(C)c1Cl ZINC000408470006 160115805 /nfs/dbraw/zinc/11/58/05/160115805.db2.gz PXLLKHIMNQNMKT-WDEREUQCSA-N 0 0 301.774 0.762 10 0 DCAERN Cn1nccc1CNC(=O)NCC(=O)Nc1cccc(F)c1 ZINC000051270011 286893370 /nfs/dbraw/zinc/89/33/70/286893370.db2.gz HQHPQXVXOGWIIL-UHFFFAOYSA-N 0 0 305.313 0.997 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000074055919 286914994 /nfs/dbraw/zinc/91/49/94/286914994.db2.gz BLZGVTJCMZSOMF-LLVKDONJSA-N 0 0 320.393 0.793 10 0 DCAERN CCc1cnc(CCNC(=O)N[C@@H](C)CS(C)(=O)=O)s1 ZINC000074216286 286915376 /nfs/dbraw/zinc/91/53/76/286915376.db2.gz SPUKRVHCEIGUBU-VIFPVBQESA-N 0 0 319.452 0.980 10 0 DCAERN O=S(=O)(NCC1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091524523 286936039 /nfs/dbraw/zinc/93/60/39/286936039.db2.gz UOZHEBRRJAAIHP-UHFFFAOYSA-N 0 0 313.375 0.897 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000116950077 286945323 /nfs/dbraw/zinc/94/53/23/286945323.db2.gz BTURYMSHZNPFMO-MGPQQGTHSA-N 0 0 323.418 0.876 10 0 DCAERN CNS(=O)(=O)CC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000121389772 286954809 /nfs/dbraw/zinc/95/48/09/286954809.db2.gz SLKIFRXJBYBFRH-UHFFFAOYSA-N 0 0 322.390 0.346 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H](C)CO ZINC000126263633 286970332 /nfs/dbraw/zinc/97/03/32/286970332.db2.gz RJPWYUKSGQBABB-MNOVXSKESA-N 0 0 304.350 0.465 10 0 DCAERN CCc1noc(C)c1NC(=O)Cn1nc2ccccn2c1=O ZINC000132700880 287006577 /nfs/dbraw/zinc/00/65/77/287006577.db2.gz JRZYASKRGSBYLE-UHFFFAOYSA-N 0 0 301.306 0.994 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCOC)CCN1CC(F)F ZINC000132891583 287007786 /nfs/dbraw/zinc/00/77/86/287007786.db2.gz YLUZLAASEVTBEN-SNVBAGLBSA-N 0 0 300.371 0.624 10 0 DCAERN Cc1ccc(OC[C@H](O)Cn2nnc3c(cnn3C)c2=O)cc1 ZINC000133060935 287008790 /nfs/dbraw/zinc/00/87/90/287008790.db2.gz JYUSEVOLLRJTFF-LLVKDONJSA-N 0 0 315.333 0.273 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000133873895 287013713 /nfs/dbraw/zinc/01/37/13/287013713.db2.gz RYRLTRWECFKUQR-QWRGUYRKSA-N 0 0 306.366 0.171 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000151881473 287036733 /nfs/dbraw/zinc/03/67/33/287036733.db2.gz PXCHVGHJDICTSU-UHFFFAOYSA-N 0 0 319.409 0.786 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000153041509 287046553 /nfs/dbraw/zinc/04/65/53/287046553.db2.gz AYPNFMPVSUBESZ-LLVKDONJSA-N 0 0 321.381 0.357 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153413871 287049934 /nfs/dbraw/zinc/04/99/34/287049934.db2.gz YLHYLKKUEOYLMB-SNVBAGLBSA-N 0 0 318.308 0.592 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418157 287069240 /nfs/dbraw/zinc/06/92/40/287069240.db2.gz GKTSFKWPPODVNE-HQJQHLMTSA-N 0 0 309.288 0.362 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@](C)(O)C1 ZINC000245906916 287074092 /nfs/dbraw/zinc/07/40/92/287074092.db2.gz LVRYTLLSDVHJQA-OCCSQVGLSA-N 0 0 318.439 0.564 10 0 DCAERN CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246090200 287076448 /nfs/dbraw/zinc/07/64/48/287076448.db2.gz GPYJVVKYTYOLIU-YNEHKIRRSA-N 0 0 307.460 0.660 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)[C@H](C)CO1 ZINC000246178278 287078369 /nfs/dbraw/zinc/07/83/69/287078369.db2.gz MZUGMGDYRXDSSU-JHJVBQTASA-N 0 0 318.439 0.841 10 0 DCAERN Cn1cc(N2CC[C@H](N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456325 287083498 /nfs/dbraw/zinc/08/34/98/287083498.db2.gz VPVUCEXULXFXRM-JQWIXIFHSA-N 0 0 318.299 0.525 10 0 DCAERN CN(C)S(=O)(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246721173 287087192 /nfs/dbraw/zinc/08/71/92/287087192.db2.gz OCMWRXHIRIQCNS-CABZTGNLSA-N 0 0 306.334 0.879 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1C[C@H](C)O ZINC000246848947 287088482 /nfs/dbraw/zinc/08/84/82/287088482.db2.gz CBURVZSBNNSVSU-JSGCOSHPSA-N 0 0 320.393 0.324 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000248666987 287099509 /nfs/dbraw/zinc/09/95/09/287099509.db2.gz WXPVFTFDTDFOJJ-YIZRAAEISA-N 0 0 320.333 0.195 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)Cn2nc3cnccn3c2=O)[C@H]1C ZINC000248456655 287097711 /nfs/dbraw/zinc/09/77/11/287097711.db2.gz NVOLPXNDKDVWOM-WOPDTQHZSA-N 0 0 303.366 0.832 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)nc1C ZINC000248652564 287099172 /nfs/dbraw/zinc/09/91/72/287099172.db2.gz UBQXCBCUZFCDAM-QWRGUYRKSA-N 0 0 306.410 0.929 10 0 DCAERN C[C@H](CO)N(CC(=O)Nc1cc(F)cc(F)c1)C[C@H](C)O ZINC000248871354 287102733 /nfs/dbraw/zinc/10/27/33/287102733.db2.gz BSMQHOFSNKNBFF-ZJUUUORDSA-N 0 0 302.321 0.967 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000248972118 287104647 /nfs/dbraw/zinc/10/46/47/287104647.db2.gz SYLHGBFFLXYCFM-FRRDWIJNSA-N 0 0 306.428 0.146 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C[C@@H](C)O)[C@@H](C)CO)c1ccccc1 ZINC000248992505 287104821 /nfs/dbraw/zinc/10/48/21/287104821.db2.gz XIGTUEJGBLRROE-WOSRLPQWSA-N 0 0 322.405 0.844 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248684612 287099960 /nfs/dbraw/zinc/09/99/60/287099960.db2.gz GTYNQERIYDWFTP-OLZOCXBDSA-N 0 0 305.444 0.368 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000252692148 287120887 /nfs/dbraw/zinc/12/08/87/287120887.db2.gz RELBQPFYPLWPOL-QXEWZRGKSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000253149590 287120959 /nfs/dbraw/zinc/12/09/59/287120959.db2.gz DODZFFRHIWKXMB-IJLUTSLNSA-N 0 0 306.428 0.888 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NC/C=C\c2ccccc2)nn1 ZINC000255566171 287125623 /nfs/dbraw/zinc/12/56/23/287125623.db2.gz DRMJZBSVKQZKCW-TWGQIWQCSA-N 0 0 313.361 0.810 10 0 DCAERN CN(C(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1nnnn1C ZINC000333820411 287147300 /nfs/dbraw/zinc/14/73/00/287147300.db2.gz IWFUZYVSQZLRBU-SNVBAGLBSA-N 0 0 324.410 0.265 10 0 DCAERN CC(=O)c1cccc(OCCCC(=O)NC[C@](C)(O)CO)c1 ZINC000355347180 287180312 /nfs/dbraw/zinc/18/03/12/287180312.db2.gz UWRGKDOZBBHUTB-INIZCTEOSA-N 0 0 309.362 0.908 10 0 DCAERN O=C(NCC(=O)N1CCN2CCOC[C@H]2C1)NC1CCCCC1 ZINC000363870737 287218792 /nfs/dbraw/zinc/21/87/92/287218792.db2.gz YHUHHYJRAUAVMV-CQSZACIVSA-N 0 0 324.425 0.161 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCCCCC1 ZINC000408355200 287233703 /nfs/dbraw/zinc/23/37/03/287233703.db2.gz QXXPGAQIPYXIGD-ZDUSSCGKSA-N 0 0 306.428 0.845 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2CSCCS2)CCN1CCO ZINC000250145281 685184687 /nfs/dbraw/zinc/18/46/87/685184687.db2.gz ZRXHPCNBCUHIIS-NEPJUHHUSA-N 0 0 304.481 0.750 10 0 DCAERN COC(=O)c1ccc(NCCCN2CCCS2(=O)=O)nn1 ZINC000608779235 412380782 /nfs/dbraw/zinc/38/07/82/412380782.db2.gz FAFWERXGMOOFDI-UHFFFAOYSA-N 0 0 314.367 0.101 10 0 DCAERN Cn1c(NC(C)(C)C)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC000521135086 412467865 /nfs/dbraw/zinc/46/78/65/412467865.db2.gz BEQDELIWCOVDSC-VIFPVBQESA-N 0 0 317.415 0.358 10 0 DCAERN Cn1ccc(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)n1 ZINC000494277319 412472854 /nfs/dbraw/zinc/47/28/54/412472854.db2.gz QBVXVJWRFNJCRD-GFCCVEGCSA-N 0 0 302.334 0.251 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCSC[C@@H]2CCO)CC(=O)N1 ZINC000408205757 287267968 /nfs/dbraw/zinc/26/79/68/287267968.db2.gz YXCSLORQLGKMKV-UTUOFQBUSA-N 0 0 300.424 0.618 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408206779 287268587 /nfs/dbraw/zinc/26/85/87/287268587.db2.gz UQKJOJXXKXHGIB-MGPQQGTHSA-N 0 0 309.410 0.224 10 0 DCAERN CCc1cccc2c1N(C(C)=O)C(=O)/C2=C1/NC(=S)NC1=O ZINC000015930257 415149882 /nfs/dbraw/zinc/14/98/82/415149882.db2.gz MNKWLXACZBGEAU-ZHACJKMWSA-N 0 0 315.354 0.858 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCCN2C(=O)CN(C)C2=O)s1 ZINC000265441273 415129077 /nfs/dbraw/zinc/12/90/77/415129077.db2.gz IYRCUZPITJAOOW-UHFFFAOYSA-N 0 0 324.362 0.958 10 0 DCAERN C[C@@H](CNC(=O)N(C)CC(=O)NC(C)(C)C)N1CCOCC1 ZINC000046264843 415258812 /nfs/dbraw/zinc/25/88/12/415258812.db2.gz DWMOLCZDADJYJB-LBPRGKRZSA-N 0 0 314.430 0.263 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H]1CN(C)CCO1)C2 ZINC000049993836 415307505 /nfs/dbraw/zinc/30/75/05/415307505.db2.gz SXIHFQUUWOHBBC-HIFRSBDPSA-N 0 0 320.389 0.693 10 0 DCAERN CC(C)(NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(N)=O ZINC000057051362 415335374 /nfs/dbraw/zinc/33/53/74/415335374.db2.gz DKXTXPMBVFESHO-NSHDSACASA-N 0 0 310.398 0.294 10 0 DCAERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(C)=O ZINC000059264149 415340156 /nfs/dbraw/zinc/34/01/56/415340156.db2.gz ICAMXOWGAZACCP-UKRFAEJPSA-N 0 0 324.329 0.765 10 0 DCAERN C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)c2c(O)cccc21 ZINC000274343286 415349200 /nfs/dbraw/zinc/34/92/00/415349200.db2.gz FGWTXGWNRZMLME-WPRPVWTQSA-N 0 0 303.318 0.831 10 0 DCAERN CCc1noc(-c2ccc(CCNC(=O)CNC(N)=O)cc2)n1 ZINC000069535132 415400358 /nfs/dbraw/zinc/40/03/58/415400358.db2.gz ZWTBMKTZYJVELJ-UHFFFAOYSA-N 0 0 317.349 0.626 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCNC(=O)CC1 ZINC000072525959 415413383 /nfs/dbraw/zinc/41/33/83/415413383.db2.gz NWWRYRGOLMCQHR-CHWSQXEVSA-N 0 0 305.382 0.898 10 0 DCAERN CCn1ccnc(N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c1=O ZINC000275625058 415381644 /nfs/dbraw/zinc/38/16/44/415381644.db2.gz RVYPABBFBIHJGU-NSHDSACASA-N 0 0 316.365 0.840 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000353248829 415486016 /nfs/dbraw/zinc/48/60/16/415486016.db2.gz LEDWLKOIBUFZLT-USKJLILSSA-N 0 0 307.398 0.782 10 0 DCAERN Cc1nc(N2CC[C@](O)(C(N)=O)C2)ccc1Br ZINC000278690712 415488095 /nfs/dbraw/zinc/48/80/95/415488095.db2.gz HPIOGOHNPMHQMA-LLVKDONJSA-N 0 0 300.156 0.579 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@](C)(O)CO ZINC000332675717 415433456 /nfs/dbraw/zinc/43/34/56/415433456.db2.gz KBYTVJFBPHGREX-DOTOQJQBSA-N 0 0 320.389 0.382 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)C1 ZINC000276281675 415461584 /nfs/dbraw/zinc/46/15/84/415461584.db2.gz ZQGJEZZUOIRBOE-VIFPVBQESA-N 0 0 316.361 0.424 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)C[C@@H](C)O1 ZINC000087042019 415510123 /nfs/dbraw/zinc/51/01/23/415510123.db2.gz WZLGWVTYZROVSP-VXGBXAGGSA-N 0 0 306.428 0.625 10 0 DCAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(C)(C)C ZINC000088589284 415518110 /nfs/dbraw/zinc/51/81/10/415518110.db2.gz BCBJRMITCKTZGE-SECBINFHSA-N 0 0 302.400 0.249 10 0 DCAERN COc1ccnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000089987105 415526892 /nfs/dbraw/zinc/52/68/92/415526892.db2.gz KVKUYKPNYAZXMT-UHFFFAOYSA-N 0 0 314.305 0.172 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2c(C)nn(CC)c2C)C1 ZINC000091414166 415537152 /nfs/dbraw/zinc/53/71/52/415537152.db2.gz ABTWJDSUTHFSGP-UHFFFAOYSA-N 0 0 321.381 0.053 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000333060694 415545005 /nfs/dbraw/zinc/54/50/05/415545005.db2.gz SFWXRAVPXZBTLA-VHDGCEQUSA-N 0 0 311.426 0.916 10 0 DCAERN CC(=O)NC[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCO1 ZINC000333135458 415567406 /nfs/dbraw/zinc/56/74/06/415567406.db2.gz ILLSVQHCNSUZGK-RQJABVFESA-N 0 0 316.423 0.342 10 0 DCAERN CS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333171690 415574247 /nfs/dbraw/zinc/57/42/47/415574247.db2.gz NXKCXAWUNSNPFL-WOPDTQHZSA-N 0 0 322.452 0.082 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)N(C(C)=O)C1 ZINC000333288003 415602596 /nfs/dbraw/zinc/60/25/96/415602596.db2.gz NVZYXHCFSGZRHJ-VYDRJRHOSA-N 0 0 310.394 0.242 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)C2 ZINC000285340506 415612176 /nfs/dbraw/zinc/61/21/76/415612176.db2.gz MBLRUBRQUUICIK-DFBGVHRSSA-N 0 0 318.373 0.708 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333379794 415628681 /nfs/dbraw/zinc/62/86/81/415628681.db2.gz XHUZXDLDNMQGDT-MNOVXSKESA-N 0 0 300.384 0.493 10 0 DCAERN CN1C(=O)CC[C@@H](NC(=O)N[C@@H]2CCc3ccccc3C2)C1=O ZINC000333404717 415638211 /nfs/dbraw/zinc/63/82/11/415638211.db2.gz OOFQHLOUPCGAFH-ZIAGYGMSSA-N 0 0 315.373 0.991 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000106039591 415639855 /nfs/dbraw/zinc/63/98/55/415639855.db2.gz CRDGRWMIJMTBFB-GRYCIOLGSA-N 0 0 320.411 0.368 10 0 DCAERN CC(C)N1C[C@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1=O ZINC000333429224 415646284 /nfs/dbraw/zinc/64/62/84/415646284.db2.gz NGIMPHKECBUEMO-UTUOFQBUSA-N 0 0 304.412 0.483 10 0 DCAERN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C ZINC000282543171 415577665 /nfs/dbraw/zinc/57/76/65/415577665.db2.gz SPJQCZNCQGTUJG-SNVBAGLBSA-N 0 0 322.413 0.400 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@H]1C ZINC000333191084 415579131 /nfs/dbraw/zinc/57/91/31/415579131.db2.gz SCSDCGRKQNAAIH-SEBNEYGDSA-N 0 0 316.467 0.892 10 0 DCAERN CCCN1C[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1=O ZINC000333206714 415583509 /nfs/dbraw/zinc/58/35/09/415583509.db2.gz YZNNOLSAWANZMQ-HZSPNIEDSA-N 0 0 309.410 0.176 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 ZINC000284157424 415593843 /nfs/dbraw/zinc/59/38/43/415593843.db2.gz QSOAKLQPAWLYCO-KBPBESRZSA-N 0 0 300.362 0.879 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCNS(C)(=O)=O ZINC000107304831 415664355 /nfs/dbraw/zinc/66/43/55/415664355.db2.gz ZLFVTSSPKVEFIX-LBPRGKRZSA-N 0 0 300.428 0.723 10 0 DCAERN CCCN1C[C@H](CNS(=O)(=O)[C@@H]2CCO[C@H]2C)CC1=O ZINC000333512399 415671176 /nfs/dbraw/zinc/67/11/76/415671176.db2.gz JGJYHMUXJCXCPF-SDDRHHMPSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2)n(C)n1 ZINC000333521655 415671793 /nfs/dbraw/zinc/67/17/93/415671793.db2.gz KTKYNSGCAMKEMD-IOASZLSFSA-N 0 0 321.425 0.910 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1C[C@@](C)(O)C1)CC2 ZINC000333516505 415671826 /nfs/dbraw/zinc/67/18/26/415671826.db2.gz JWXFESXYVSBXAB-ZIBATOQPSA-N 0 0 307.398 0.929 10 0 DCAERN O=C(CN1CCN(C(=O)C2CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000333564767 415683831 /nfs/dbraw/zinc/68/38/31/415683831.db2.gz RBTNKUSXYIWSHD-GJZGRUSLSA-N 0 0 321.421 0.668 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1C ZINC000120508770 415769808 /nfs/dbraw/zinc/76/98/08/415769808.db2.gz NCOSYBMKUHJBKV-LBPRGKRZSA-N 0 0 303.362 0.979 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc12 ZINC000120548054 415774208 /nfs/dbraw/zinc/77/42/08/415774208.db2.gz ZKJFQARUIVNWRK-IUCAKERBSA-N 0 0 312.395 0.572 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)CNC(=O)c2cccnc2)CC1=O ZINC000120598713 415775413 /nfs/dbraw/zinc/77/54/13/415775413.db2.gz CQVJLZRKZDZUGD-GFCCVEGCSA-N 0 0 318.377 0.327 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@H]1c1nncn1C ZINC000120145961 415757143 /nfs/dbraw/zinc/75/71/43/415757143.db2.gz MZJDATSOHQVGNK-LLVKDONJSA-N 0 0 314.411 0.549 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)c1c(C)noc1C ZINC000344064806 415833225 /nfs/dbraw/zinc/83/32/25/415833225.db2.gz QXXFKAKMQHQCNL-NEPJUHHUSA-N 0 0 309.366 0.624 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)s1 ZINC000123425657 415842102 /nfs/dbraw/zinc/84/21/02/415842102.db2.gz QDHPGHBPBAMDSE-UHFFFAOYSA-N 0 0 312.395 0.763 10 0 DCAERN O=C(Nc1cccc(OCCF)c1)C(=O)N1CCC[C@@H]1CO ZINC000121240666 415801225 /nfs/dbraw/zinc/80/12/25/415801225.db2.gz ZXPLCFGZOAUUDI-GFCCVEGCSA-N 0 0 310.325 0.957 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCO[C@H]3C)cc12 ZINC000121459986 415802600 /nfs/dbraw/zinc/80/26/00/415802600.db2.gz RZJYWVFLLCXNAD-JOYOIKCWSA-N 0 0 310.379 0.732 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000121417953 415805709 /nfs/dbraw/zinc/80/57/09/415805709.db2.gz OLAVIIFICIBZIE-UHFFFAOYSA-N 0 0 319.390 0.596 10 0 DCAERN O=C(NCCOc1ccc(F)cc1F)NCC1(CO)COC1 ZINC000121739234 415817841 /nfs/dbraw/zinc/81/78/41/415817841.db2.gz UBOWVOSFROHFDD-UHFFFAOYSA-N 0 0 316.304 0.652 10 0 DCAERN Cn1nccc1CCC(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000121890283 415819340 /nfs/dbraw/zinc/81/93/40/415819340.db2.gz CZUDAWVCCRAVFT-ZDUSSCGKSA-N 0 0 322.434 0.780 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000127527548 415886828 /nfs/dbraw/zinc/88/68/28/415886828.db2.gz UXXQQRKSMJDMAL-LBPRGKRZSA-N 0 0 306.366 0.347 10 0 DCAERN Cc1cccc(CNC(=O)NCCN2CCCS2(=O)=O)n1 ZINC000127658629 415889523 /nfs/dbraw/zinc/88/95/23/415889523.db2.gz RVVHYMIMDDNRIK-UHFFFAOYSA-N 0 0 312.395 0.225 10 0 DCAERN CCCNC(=O)CCNC(=O)NCCc1c(C)nn(C)c1C ZINC000128252472 415894368 /nfs/dbraw/zinc/89/43/68/415894368.db2.gz NHDDDTNNYQYISF-UHFFFAOYSA-N 0 0 309.414 0.795 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCC[C@@H]1C(N)=O ZINC000129224093 415907420 /nfs/dbraw/zinc/90/74/20/415907420.db2.gz QBTVMONIPMZSSF-BXUZGUMPSA-N 0 0 306.362 0.813 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)CCO2)[nH]1 ZINC000133125289 415940807 /nfs/dbraw/zinc/94/08/07/415940807.db2.gz OKXANHFOMALPTM-JTQLQIEISA-N 0 0 303.322 0.269 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000133372659 415943920 /nfs/dbraw/zinc/94/39/20/415943920.db2.gz HXDZJPOOVTUDCI-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000133394490 415946333 /nfs/dbraw/zinc/94/63/33/415946333.db2.gz MQUCFLDQSWPSNO-QWRGUYRKSA-N 0 0 312.457 0.376 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000133467721 415946895 /nfs/dbraw/zinc/94/68/95/415946895.db2.gz UBGBZSSDGWZNTJ-ZDUSSCGKSA-N 0 0 324.425 0.507 10 0 DCAERN Cc1cccc(F)c1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133609402 415949530 /nfs/dbraw/zinc/94/95/30/415949530.db2.gz ASBSVGXEIFYYON-GFCCVEGCSA-N 0 0 311.357 0.949 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CCC1=O ZINC000133839142 415952119 /nfs/dbraw/zinc/95/21/19/415952119.db2.gz ZGTCFRAJFXWTFV-DGCLKSJQSA-N 0 0 302.330 0.505 10 0 DCAERN CC(C)[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000134235043 415956858 /nfs/dbraw/zinc/95/68/58/415956858.db2.gz FDTXUWBJCJHSKI-LLVKDONJSA-N 0 0 320.798 0.734 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000152619777 415968302 /nfs/dbraw/zinc/96/83/02/415968302.db2.gz LOVBIYGUDAYERK-QWHCGFSZSA-N 0 0 305.382 0.644 10 0 DCAERN CN1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1=O ZINC000152624276 415968315 /nfs/dbraw/zinc/96/83/15/415968315.db2.gz WEXIHAFWISQCAA-UHFFFAOYSA-N 0 0 305.378 0.541 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCN(C)C(=O)C3)no2)c1 ZINC000153003821 415974057 /nfs/dbraw/zinc/97/40/57/415974057.db2.gz MSHANZOLWCVIPQ-UHFFFAOYSA-N 0 0 303.322 0.142 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cccnc1N1CCCCC1 ZINC000153279068 415978336 /nfs/dbraw/zinc/97/83/36/415978336.db2.gz FLJLWHWAGQXZDN-GFCCVEGCSA-N 0 0 316.361 0.607 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCOC1 ZINC000344772787 415985901 /nfs/dbraw/zinc/98/59/01/415985901.db2.gz ZKHNJIGDNJYWCL-GFCCVEGCSA-N 0 0 319.361 0.903 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)Nc2cnc(N(C)C)nc2)C1=O ZINC000155116522 415992826 /nfs/dbraw/zinc/99/28/26/415992826.db2.gz JCMAJOWVUJGBDF-LLVKDONJSA-N 0 0 306.370 0.673 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000131837118 415930485 /nfs/dbraw/zinc/93/04/85/415930485.db2.gz MKDRIDHTFNOIKE-XQHKEYJVSA-N 0 0 302.440 0.893 10 0 DCAERN CC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000132895897 415939411 /nfs/dbraw/zinc/93/94/11/415939411.db2.gz YNGCCNPHOJLTHH-CHWSQXEVSA-N 0 0 309.410 0.986 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)[C@H](C)C1 ZINC000357200899 416044792 /nfs/dbraw/zinc/04/47/92/416044792.db2.gz IYOXCFPSMSEGOG-GFCCVEGCSA-N 0 0 303.428 0.660 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000357208887 416045143 /nfs/dbraw/zinc/04/51/43/416045143.db2.gz WVBHOQGRYHJISL-NWDGAFQWSA-N 0 0 303.428 0.516 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCN(C)C1=O)c1ccccc1 ZINC000172544321 416048060 /nfs/dbraw/zinc/04/80/60/416048060.db2.gz QQCUIJRUCPIKGP-ZIAGYGMSSA-N 0 0 303.362 0.601 10 0 DCAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)N(C)C)cc2)n1 ZINC000172888986 416048712 /nfs/dbraw/zinc/04/87/12/416048712.db2.gz HXMCXMYSSWEFIV-UHFFFAOYSA-N 0 0 308.363 0.964 10 0 DCAERN COCCn1ccc(NS(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000172891031 416050181 /nfs/dbraw/zinc/05/01/81/416050181.db2.gz MTQTVUNNKJPIDH-LLVKDONJSA-N 0 0 302.400 0.918 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000172821297 416050320 /nfs/dbraw/zinc/05/03/20/416050320.db2.gz OYFKEUISIADHDO-UHFFFAOYSA-N 0 0 311.426 0.866 10 0 DCAERN CCc1onc(C)c1C(=O)NCCCN(CC)S(C)(=O)=O ZINC000173332809 416056614 /nfs/dbraw/zinc/05/66/14/416056614.db2.gz RUIGHLMIRRRPAB-UHFFFAOYSA-N 0 0 317.411 0.947 10 0 DCAERN COc1cc(CN(C)CC(=O)N2CCN(C)CC2)cc(OC)c1 ZINC000357300218 416058312 /nfs/dbraw/zinc/05/83/12/416058312.db2.gz DGYYFNUPMLREBL-UHFFFAOYSA-N 0 0 321.421 0.910 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173473648 416058334 /nfs/dbraw/zinc/05/83/34/416058334.db2.gz ASHIEAAKJAKXNH-SNVBAGLBSA-N 0 0 315.439 0.909 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(COC)on1)CC2 ZINC000173479992 416058492 /nfs/dbraw/zinc/05/84/92/416058492.db2.gz CTNNDPYSCCNUKO-SECBINFHSA-N 0 0 305.338 0.720 10 0 DCAERN C[C@@](O)(CNC(=O)c1ccc(F)cc1F)CN1CCOCC1 ZINC000174474046 416080071 /nfs/dbraw/zinc/08/00/71/416080071.db2.gz VCYOEKVOEKKYFB-OAHLLOKOSA-N 0 0 314.332 0.778 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173582484 416062711 /nfs/dbraw/zinc/06/27/11/416062711.db2.gz AZVIWGJYDMPJKE-NSHDSACASA-N 0 0 318.381 0.931 10 0 DCAERN Cc1nnc([C@@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)[nH]1 ZINC000173681390 416063499 /nfs/dbraw/zinc/06/34/99/416063499.db2.gz LQZBQYYIAIXEGM-ZDUSSCGKSA-N 0 0 301.350 0.786 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173674539 416063956 /nfs/dbraw/zinc/06/39/56/416063956.db2.gz BETJRSAEBHMJDV-NSHDSACASA-N 0 0 302.400 0.311 10 0 DCAERN Cc1nnc([C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672230 416064626 /nfs/dbraw/zinc/06/46/26/416064626.db2.gz JDAVBKAJCCGDBO-CYBMUJFWSA-N 0 0 301.350 0.786 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2cccc(C)n2)cn1C ZINC000173785241 416065661 /nfs/dbraw/zinc/06/56/61/416065661.db2.gz GHJOXEQEAUMNJC-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN COC(C)(C)C[C@@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000173839990 416065818 /nfs/dbraw/zinc/06/58/18/416065818.db2.gz DCUJMOSLLBHLGX-SNVBAGLBSA-N 0 0 321.381 0.450 10 0 DCAERN Cc1nc(CN2CCCN(S(=O)(=O)C3CC3)CC2)no1 ZINC000173827111 416066033 /nfs/dbraw/zinc/06/60/33/416066033.db2.gz NXEIVCNDADWRHZ-UHFFFAOYSA-N 0 0 300.384 0.378 10 0 DCAERN COC(C)(C)C[C@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000173839978 416066063 /nfs/dbraw/zinc/06/60/63/416066063.db2.gz DCUJMOSLLBHLGX-JTQLQIEISA-N 0 0 321.381 0.450 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000173861035 416067119 /nfs/dbraw/zinc/06/71/19/416067119.db2.gz SPGWGPGXGHYPJV-VIFPVBQESA-N 0 0 310.379 0.551 10 0 DCAERN C[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1N1CCOCC1 ZINC000173862753 416067678 /nfs/dbraw/zinc/06/76/78/416067678.db2.gz AHBRBPJDSKYVPO-HIFRSBDPSA-N 0 0 323.437 0.472 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000300555892 416072570 /nfs/dbraw/zinc/07/25/70/416072570.db2.gz XCHJOUDOCOZDPN-QCNOEVLYSA-N 0 0 305.396 0.815 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174008902 416072791 /nfs/dbraw/zinc/07/27/91/416072791.db2.gz FBJVKEAKHSDAJL-CQSZACIVSA-N 0 0 321.352 0.697 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158951409 416004629 /nfs/dbraw/zinc/00/46/29/416004629.db2.gz WKUZWCYNAUEAST-STQMWFEESA-N 0 0 304.456 0.902 10 0 DCAERN CN1CCN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1=O ZINC000174387225 416078527 /nfs/dbraw/zinc/07/85/27/416078527.db2.gz KZPVNUVUXGUWLV-CHWSQXEVSA-N 0 0 305.382 0.850 10 0 DCAERN CCN1CCO[C@@H](CNc2ccccc2S(=O)(=O)NC)C1 ZINC000166103569 416021896 /nfs/dbraw/zinc/02/18/96/416021896.db2.gz PVXKHZJIXYVOOA-LBPRGKRZSA-N 0 0 313.423 0.727 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H](CO)C1 ZINC000298711317 416024883 /nfs/dbraw/zinc/02/48/83/416024883.db2.gz GHNPBZOAPNGWMT-ZIAGYGMSSA-N 0 0 319.409 0.859 10 0 DCAERN CCOCCS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000170664545 416029387 /nfs/dbraw/zinc/02/93/87/416029387.db2.gz BDAXZEMLLQGOCA-CYBMUJFWSA-N 0 0 320.455 0.538 10 0 DCAERN Cn1cc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccc1=O ZINC000170705655 416031020 /nfs/dbraw/zinc/03/10/20/416031020.db2.gz VCJCPKCWQYZVPC-GFCCVEGCSA-N 0 0 304.350 0.660 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000345037363 416033039 /nfs/dbraw/zinc/03/30/39/416033039.db2.gz RXVHUVQPEXHJKI-AAEUAGOBSA-N 0 0 306.366 0.713 10 0 DCAERN C/C=C\C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145478 416037272 /nfs/dbraw/zinc/03/72/72/416037272.db2.gz BWZVDUAWJDSFAD-JPVGGKMYSA-N 0 0 315.395 0.905 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177968339 416155198 /nfs/dbraw/zinc/15/51/98/416155198.db2.gz LWRZZQRTERWDAH-QWHCGFSZSA-N 0 0 306.366 0.651 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(c2cncc(C(N)=O)n2)C1 ZINC000301546567 416087193 /nfs/dbraw/zinc/08/71/93/416087193.db2.gz WWZYSYWIITXVLE-LLVKDONJSA-N 0 0 305.382 0.708 10 0 DCAERN CCC1(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCC1 ZINC000174932920 416091331 /nfs/dbraw/zinc/09/13/31/416091331.db2.gz DEEBUDJMSHYDMS-UHFFFAOYSA-N 0 0 316.361 0.695 10 0 DCAERN Cc1ccnc(N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000301801678 416091498 /nfs/dbraw/zinc/09/14/98/416091498.db2.gz SUNQVOKPSPGHLX-CQSZACIVSA-N 0 0 319.409 0.154 10 0 DCAERN CNC(=O)[C@H](Nc1cc(N2CCC[C@@H](CO)C2)ncn1)C(C)C ZINC000301784088 416092077 /nfs/dbraw/zinc/09/20/77/416092077.db2.gz OGMPDHKWWNLRHA-IUODEOHRSA-N 0 0 321.425 0.868 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](COC)C1)CC2 ZINC000174961323 416092335 /nfs/dbraw/zinc/09/23/35/416092335.db2.gz PKQINBPTPXUXAK-VXGBXAGGSA-N 0 0 323.397 0.212 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 ZINC000175039348 416094342 /nfs/dbraw/zinc/09/43/42/416094342.db2.gz WXYNWSWTUAZQRV-OAHLLOKOSA-N 0 0 321.425 0.698 10 0 DCAERN CCc1nc(C2(NC(=O)c3ccc(=O)n(C)n3)CCCC2)no1 ZINC000175151928 416097686 /nfs/dbraw/zinc/09/76/86/416097686.db2.gz UEVVGLUOCXDFEU-UHFFFAOYSA-N 0 0 317.349 0.925 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000175162782 416097976 /nfs/dbraw/zinc/09/79/76/416097976.db2.gz JNRNKMULFUBEBW-GHMZBOCLSA-N 0 0 303.428 0.549 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOC1CCOCC1)CC2 ZINC000175417986 416105660 /nfs/dbraw/zinc/10/56/60/416105660.db2.gz GEIDUFAACFCASM-GFCCVEGCSA-N 0 0 322.409 0.857 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175553471 416108453 /nfs/dbraw/zinc/10/84/53/416108453.db2.gz YKIXRXABXKEJIW-KGLIPLIRSA-N 0 0 315.458 0.930 10 0 DCAERN O=S(=O)(c1c(F)cccc1F)N1CCC[C@](O)(CO)C1 ZINC000313667790 416109497 /nfs/dbraw/zinc/10/94/97/416109497.db2.gz RSSFWFOJCUJLAY-GFCCVEGCSA-N 0 0 307.318 0.473 10 0 DCAERN COC[C@H](CO)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000357691917 416115729 /nfs/dbraw/zinc/11/57/29/416115729.db2.gz BPWZNTAIFZHAGY-ZDUSSCGKSA-N 0 0 304.346 0.997 10 0 DCAERN COCCOCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175965849 416118599 /nfs/dbraw/zinc/11/85/99/416118599.db2.gz MGVNFIMVVVHFJP-SNVBAGLBSA-N 0 0 300.277 0.358 10 0 DCAERN CC[C@@H](NC(=O)c1ncncc1Cl)C(=O)N1CCOCC1 ZINC000176160970 416120023 /nfs/dbraw/zinc/12/00/23/416120023.db2.gz QYKCRIHMXXQDBB-SNVBAGLBSA-N 0 0 312.757 0.497 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 ZINC000426885728 287324084 /nfs/dbraw/zinc/32/40/84/287324084.db2.gz DZXPNLLPFUQWAS-LLVKDONJSA-N 0 0 324.402 0.928 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000176257657 416121581 /nfs/dbraw/zinc/12/15/81/416121581.db2.gz DMJVQICDENYZPM-UHFFFAOYSA-N 0 0 314.349 0.505 10 0 DCAERN C[C@@H]1N(C(=O)NCC(=O)NCC(F)(F)F)CCOC1(C)C ZINC000357771499 416130541 /nfs/dbraw/zinc/13/05/41/416130541.db2.gz VWBBMQYXQVKEJE-QMMMGPOBSA-N 0 0 311.304 0.874 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000176662543 416131382 /nfs/dbraw/zinc/13/13/82/416131382.db2.gz DSQBHHAJQNTSIV-KGLIPLIRSA-N 0 0 314.345 0.616 10 0 DCAERN O=C(C/C=C/c1cccc(F)c1)NCCN1C(=O)CNC1=O ZINC000176681690 416133069 /nfs/dbraw/zinc/13/30/69/416133069.db2.gz FRJJMXFNYUFPDC-DUXPYHPUSA-N 0 0 305.309 0.897 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)CC2 ZINC000176710460 416133520 /nfs/dbraw/zinc/13/35/20/416133520.db2.gz RTXCSUQUUPTCHV-SECBINFHSA-N 0 0 302.338 0.012 10 0 DCAERN CC[C@@H](O)CCNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000178099630 416156917 /nfs/dbraw/zinc/15/69/17/416156917.db2.gz ZRWHSELNHBNQFX-CYBMUJFWSA-N 0 0 322.409 0.979 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874400 416136488 /nfs/dbraw/zinc/13/64/88/416136488.db2.gz JKAREAARDAWMFP-MGPQQGTHSA-N 0 0 323.437 0.565 10 0 DCAERN CN(C(=O)N1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000328883904 416137387 /nfs/dbraw/zinc/13/73/87/416137387.db2.gz NNAZIRKELOLLTG-LBPRGKRZSA-N 0 0 301.412 0.005 10 0 DCAERN CC(=O)c1ccc(CNC(=O)[C@H](O)Cc2cnn(C)c2)nc1C ZINC000345806503 416152776 /nfs/dbraw/zinc/15/27/76/416152776.db2.gz DWIFINPRLRUIBD-OAHLLOKOSA-N 0 0 316.361 0.546 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN3CCN2CC3)c2cnn(C)c2n1 ZINC000178645818 416167740 /nfs/dbraw/zinc/16/77/40/416167740.db2.gz CIOPKDZIENMCLM-LBPRGKRZSA-N 0 0 314.393 0.006 10 0 DCAERN COc1ccccc1/C=C/C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178653251 416168318 /nfs/dbraw/zinc/16/83/18/416168318.db2.gz GNSWNAVEEGDTOJ-LQYUOIDQSA-N 0 0 301.390 0.824 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178707812 416169146 /nfs/dbraw/zinc/16/91/46/416169146.db2.gz NYEHADMRFHYSFF-KGLIPLIRSA-N 0 0 321.402 0.974 10 0 DCAERN O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1COCCN1 ZINC000178687935 416169262 /nfs/dbraw/zinc/16/92/62/416169262.db2.gz CAKVPSPGNLAZFC-QGZVFWFLSA-N 0 0 317.433 0.798 10 0 DCAERN Cc1nc([C@H](NC(=O)NCCC(N)=O)c2ccccc2F)no1 ZINC000178846547 416173747 /nfs/dbraw/zinc/17/37/47/416173747.db2.gz GZTRDUNQKKXEDI-GFCCVEGCSA-N 0 0 321.312 0.781 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000178819414 416174061 /nfs/dbraw/zinc/17/40/61/416174061.db2.gz CLYVNSPRGLCXSO-NSHDSACASA-N 0 0 302.334 0.424 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCC(C)(C)O)c1 ZINC000358042893 416174618 /nfs/dbraw/zinc/17/46/18/416174618.db2.gz CYMACTYPDDRRGA-UHFFFAOYSA-N 0 0 321.377 0.885 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000358413243 416233428 /nfs/dbraw/zinc/23/34/28/416233428.db2.gz NOZYMDDTCWCYOO-JTQLQIEISA-N 0 0 309.322 0.194 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@@H](C)O1 ZINC000179154160 416183595 /nfs/dbraw/zinc/18/35/95/416183595.db2.gz GNWPPUXILCOBDJ-GEBUAUGYSA-N 0 0 316.467 0.855 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H]3CCN(C)C3=O)CCO2)o1 ZINC000179231875 416185012 /nfs/dbraw/zinc/18/50/12/416185012.db2.gz WAPVZLBGAHYJBO-DGCLKSJQSA-N 0 0 307.350 0.902 10 0 DCAERN OC[C@H]1C[C@H](O)CN1Cc1nc(CCc2ccccc2)no1 ZINC000179182770 416185268 /nfs/dbraw/zinc/18/52/68/416185268.db2.gz IOLUTUKQLBNLOA-KGLIPLIRSA-N 0 0 303.362 0.782 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000179486271 416188727 /nfs/dbraw/zinc/18/87/27/416188727.db2.gz JPUOFSTWOHESJX-GHMZBOCLSA-N 0 0 306.428 0.634 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179480701 416189156 /nfs/dbraw/zinc/18/91/56/416189156.db2.gz CNOZNBUGAWOHHB-BPLDGKMQSA-N 0 0 316.405 0.962 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C)CCn3cccn3)cnc12 ZINC000180126985 416194388 /nfs/dbraw/zinc/19/43/88/416194388.db2.gz KIOWVAVQWRFFHK-UHFFFAOYSA-N 0 0 311.345 0.972 10 0 DCAERN CCOC(=O)CCCNC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000180410084 416195998 /nfs/dbraw/zinc/19/59/98/416195998.db2.gz AOEDPPNMAZVFLY-UHFFFAOYSA-N 0 0 312.370 0.259 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000180939435 416203314 /nfs/dbraw/zinc/20/33/14/416203314.db2.gz PHRSXQKAXVQTPB-SNVBAGLBSA-N 0 0 303.388 0.155 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cccc3c2OCO3)cn1 ZINC000181336834 416206794 /nfs/dbraw/zinc/20/67/94/416206794.db2.gz UHIOEGIFURYGHE-ZDUSSCGKSA-N 0 0 314.345 0.936 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000181793475 416211802 /nfs/dbraw/zinc/21/18/02/416211802.db2.gz GBTGRRSLNBRHPG-LLVKDONJSA-N 0 0 314.345 0.969 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCC(=O)NCC3CC3)C2)cn1 ZINC000182005719 416213109 /nfs/dbraw/zinc/21/31/09/416213109.db2.gz CXQLFSBVVGMJNY-GFCCVEGCSA-N 0 0 305.382 0.445 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC3CCC(O)CC3)CCO2)[nH]1 ZINC000151104813 196631144 /nfs/dbraw/zinc/63/11/44/196631144.db2.gz ILTZLIXGXDEZNZ-MCIGGMRASA-N 0 0 323.397 0.754 10 0 DCAERN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H](CO)C1CC1 ZINC000358293370 416221937 /nfs/dbraw/zinc/22/19/37/416221937.db2.gz AINUUCMVYAYTQN-MGPQQGTHSA-N 0 0 322.405 0.686 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000182592146 416225879 /nfs/dbraw/zinc/22/58/79/416225879.db2.gz GEAWIGHIQQTIAR-UMVBOHGHSA-N 0 0 305.378 0.734 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)CCc1cnn(C)c1 ZINC000182719695 416229865 /nfs/dbraw/zinc/22/98/65/416229865.db2.gz MOWWCAVBELSRQM-UHFFFAOYSA-N 0 0 305.338 0.902 10 0 DCAERN COCCc1cc(NC(=O)NCC(=O)N2CCCCC2)n(C)n1 ZINC000178210999 416159169 /nfs/dbraw/zinc/15/91/69/416159169.db2.gz FWCKHVKDWTYZKV-UHFFFAOYSA-N 0 0 323.397 0.743 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178413076 416162872 /nfs/dbraw/zinc/16/28/72/416162872.db2.gz JNRKZTBUYLSHQP-JQWIXIFHSA-N 0 0 322.413 0.745 10 0 DCAERN CCS(=O)(=O)NCCN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178514274 416164803 /nfs/dbraw/zinc/16/48/03/416164803.db2.gz ZBCRIESSVIWOOG-NSHDSACASA-N 0 0 306.428 0.589 10 0 DCAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178611776 416166094 /nfs/dbraw/zinc/16/60/94/416166094.db2.gz ROQFFRPSDSLTSG-PCAWENJQSA-N 0 0 323.828 0.511 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(n3ccnn3)C2)c(F)c1 ZINC000358473678 416243329 /nfs/dbraw/zinc/24/33/29/416243329.db2.gz XPRDVHNBURLLTN-UHFFFAOYSA-N 0 0 304.285 0.605 10 0 DCAERN CNC(=O)[C@H](NCc1noc(CCCC(=O)OC)n1)C(C)C ZINC000183664521 416248994 /nfs/dbraw/zinc/24/89/94/416248994.db2.gz MDJWWKIXZZXHJU-CYBMUJFWSA-N 0 0 312.370 0.426 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CCCCOC)CC2 ZINC000184729968 416252156 /nfs/dbraw/zinc/25/21/56/416252156.db2.gz LKADAVBZMPVTNQ-LLVKDONJSA-N 0 0 316.427 0.501 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCC1(c2ccccc2)CC1 ZINC000185179643 416253792 /nfs/dbraw/zinc/25/37/92/416253792.db2.gz AVUUCQKASCYXKW-HUUCEWRRSA-N 0 0 304.390 0.262 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000188776192 416264805 /nfs/dbraw/zinc/26/48/05/416264805.db2.gz SXHQTBJXYYQICR-UONOGXRCSA-N 0 0 318.377 0.844 10 0 DCAERN C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCOCC1 ZINC000189667733 416268623 /nfs/dbraw/zinc/26/86/23/416268623.db2.gz YPINDSZFONJAEN-CQSZACIVSA-N 0 0 312.458 0.833 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1nsc(N(C)C)n1 ZINC000189557402 416268885 /nfs/dbraw/zinc/26/88/85/416268885.db2.gz GZEHQNXBPQNGJQ-WCBMZHEXSA-N 0 0 300.384 0.102 10 0 DCAERN CNC(=O)Cc1nc(CN2CCNC(=O)[C@@H]2CC(C)C)cs1 ZINC000189786747 416272654 /nfs/dbraw/zinc/27/26/54/416272654.db2.gz FVSQUEDFFRWYDJ-LBPRGKRZSA-N 0 0 324.450 0.778 10 0 DCAERN CN(Cc1nc2ccccc2n1C)C(=O)CN1CCOCC1=O ZINC000358732374 416275423 /nfs/dbraw/zinc/27/54/23/416275423.db2.gz PGMQKQVIXBQUJJ-UHFFFAOYSA-N 0 0 316.361 0.391 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cn[nH]n1 ZINC000192216323 416302111 /nfs/dbraw/zinc/30/21/11/416302111.db2.gz XHMZMXRGTQVRQJ-NSHDSACASA-N 0 0 303.297 0.475 10 0 DCAERN C[C@H](CNC(=O)CCC(=O)OC(C)(C)C)N1CCOCC1 ZINC000192365933 416304946 /nfs/dbraw/zinc/30/49/46/416304946.db2.gz RCRRHACIXQHMOF-GFCCVEGCSA-N 0 0 300.399 0.945 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000192607563 416308032 /nfs/dbraw/zinc/30/80/32/416308032.db2.gz FMXMUKJUECFWTB-UHFFFAOYSA-N 0 0 314.345 0.797 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1C ZINC000192642622 416310242 /nfs/dbraw/zinc/31/02/42/416310242.db2.gz VCEIZENYWQJFIH-GJZGRUSLSA-N 0 0 320.389 0.235 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193925092 416321414 /nfs/dbraw/zinc/32/14/14/416321414.db2.gz YMABSJRULJEKIN-IUCAKERBSA-N 0 0 324.768 0.786 10 0 DCAERN CCc1nc(CNC(=O)N(C[C@H](C)O)[C@H](C)CO)cs1 ZINC000190527043 416280208 /nfs/dbraw/zinc/28/02/08/416280208.db2.gz PHVDNRFWFKBXLF-ZJUUUORDSA-N 0 0 301.412 0.979 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1cccc2c1OCCC2)OC ZINC000358832266 416281458 /nfs/dbraw/zinc/28/14/58/416281458.db2.gz SAGWKTRRBOHXIT-LBPRGKRZSA-N 0 0 322.361 0.728 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000190819552 416283221 /nfs/dbraw/zinc/28/32/21/416283221.db2.gz DXEPZLBPXMQWTJ-AAEUAGOBSA-N 0 0 318.439 0.589 10 0 DCAERN COC(=O)[C@H](NCCNC(=O)c1cccc(OC)c1)C1CC1 ZINC000358845222 416284149 /nfs/dbraw/zinc/28/41/49/416284149.db2.gz FUUATVGIRICBKX-CQSZACIVSA-N 0 0 306.362 0.966 10 0 DCAERN COC(=O)[C@@H](NCCNS(=O)(=O)c1cccs1)C1CC1 ZINC000358848024 416284365 /nfs/dbraw/zinc/28/43/65/416284365.db2.gz JYUJFWZFFCLMBI-NSHDSACASA-N 0 0 318.420 0.568 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2ccncn2)C[C@H]1C ZINC000191253137 416285756 /nfs/dbraw/zinc/28/57/56/416285756.db2.gz GZABXZFYSVXOOC-CQSZACIVSA-N 0 0 306.410 0.978 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2snnc2C(C)(C)C)C1 ZINC000191971403 416292835 /nfs/dbraw/zinc/29/28/35/416292835.db2.gz JJZATNATKSWCSB-UHFFFAOYSA-N 0 0 312.395 0.423 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000191964394 416293307 /nfs/dbraw/zinc/29/33/07/416293307.db2.gz BGLHVQYYMYPFAX-LBPRGKRZSA-N 0 0 302.330 0.722 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@H](N3CCOCC3)C2)C[C@@H](C)O1 ZINC000246889653 416332387 /nfs/dbraw/zinc/33/23/87/416332387.db2.gz HCYBYQOTTWKONW-RBSFLKMASA-N 0 0 311.426 0.029 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248444684 416333451 /nfs/dbraw/zinc/33/34/51/416333451.db2.gz BQFRIPQLFWAXME-ZLGMGYILSA-N 0 0 323.418 0.484 10 0 DCAERN COCCn1cc(C(=O)NC[C@@H](CO)C2CC2)c(=O)cc1C ZINC000359779404 416358407 /nfs/dbraw/zinc/35/84/07/416358407.db2.gz WSCPNTKFNTUPGR-ZDUSSCGKSA-N 0 0 308.378 0.551 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000261673597 416335580 /nfs/dbraw/zinc/33/55/80/416335580.db2.gz HULXXPMELMMMFZ-CYBMUJFWSA-N 0 0 314.345 0.565 10 0 DCAERN CC(C)c1ncncc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000265233863 416341263 /nfs/dbraw/zinc/34/12/63/416341263.db2.gz CSVVFZNNYKVXEJ-JTQLQIEISA-N 0 0 312.395 0.364 10 0 DCAERN CCc1nn(C)cc1NC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000359354803 416343358 /nfs/dbraw/zinc/34/33/58/416343358.db2.gz YLEMQHCKCUEKGO-SECBINFHSA-N 0 0 318.381 0.700 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C[C@@H]1O ZINC000359382229 416344467 /nfs/dbraw/zinc/34/44/67/416344467.db2.gz DAJZUVOVGFYRQR-GWCFXTLKSA-N 0 0 304.346 0.789 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000194270962 416322772 /nfs/dbraw/zinc/32/27/72/416322772.db2.gz LVKBVJDTMRHTER-DZGCQCFKSA-N 0 0 319.405 0.871 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000194270936 416323062 /nfs/dbraw/zinc/32/30/62/416323062.db2.gz LVKBVJDTMRHTER-ZFWWWQNUSA-N 0 0 319.405 0.871 10 0 DCAERN O=C(CNC(=O)N1CCC[N@@H+](C2CC2)CC1)N1CCCCC1 ZINC000194661776 416324373 /nfs/dbraw/zinc/32/43/73/416324373.db2.gz HIXUTKKRROYXMS-UHFFFAOYSA-N 0 0 308.426 0.879 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1ccccn1 ZINC000194724034 416324443 /nfs/dbraw/zinc/32/44/43/416324443.db2.gz NRXBQXMXHYWHFG-CYBMUJFWSA-N 0 0 315.377 0.636 10 0 DCAERN CCc1nnc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C ZINC000195021389 416325073 /nfs/dbraw/zinc/32/50/73/416325073.db2.gz LDLWULLAEGIHIK-LBPRGKRZSA-N 0 0 307.398 0.201 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1(Cl)Cl ZINC000194999607 416325087 /nfs/dbraw/zinc/32/50/87/416325087.db2.gz WGQFYLYDAPUFAF-WDEREUQCSA-N 0 0 320.176 0.771 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000195444848 416326284 /nfs/dbraw/zinc/32/62/84/416326284.db2.gz YENBSCJDAZJZFF-SNVBAGLBSA-N 0 0 303.428 0.924 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1F ZINC000195487520 416326514 /nfs/dbraw/zinc/32/65/14/416326514.db2.gz IZDDAUCGJIDAHA-ZANVPECISA-N 0 0 321.352 0.967 10 0 DCAERN CCS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000211746478 416326915 /nfs/dbraw/zinc/32/69/15/416326915.db2.gz QMVJRPGKGXPHOO-SNVBAGLBSA-N 0 0 312.391 0.668 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1C ZINC000246638215 416332123 /nfs/dbraw/zinc/33/21/23/416332123.db2.gz BJAMJVMZTHGNBN-STQMWFEESA-N 0 0 306.410 0.675 10 0 DCAERN Cn1ccc(CNC(=O)CNC(=O)Cc2ccc(O)cc2)n1 ZINC000360937747 416416937 /nfs/dbraw/zinc/41/69/37/416416937.db2.gz NKKNBVKUNVSOGI-UHFFFAOYSA-N 0 0 302.334 0.101 10 0 DCAERN COC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000360317992 416385393 /nfs/dbraw/zinc/38/53/93/416385393.db2.gz RYPFOYYNIAGTJS-OUCADQQQSA-N 0 0 312.410 0.801 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000360336245 416386028 /nfs/dbraw/zinc/38/60/28/416386028.db2.gz ONRXTEZSZWWDFV-LBPRGKRZSA-N 0 0 319.409 0.946 10 0 DCAERN COc1ccc(COC[C@H](O)CN2CC(=O)N(C)C2)cc1OC ZINC000360486040 416392702 /nfs/dbraw/zinc/39/27/02/416392702.db2.gz DMXUIZOQADJWGW-CYBMUJFWSA-N 0 0 324.377 0.313 10 0 DCAERN CC(=O)Nc1ccc(OC[C@@H](O)CN2CC(=O)N(C)C2)cc1 ZINC000360502860 416393837 /nfs/dbraw/zinc/39/38/37/416393837.db2.gz GSFLBRXBYYHKDG-ZDUSSCGKSA-N 0 0 307.350 0.116 10 0 DCAERN Cn1cc([C@@H](CO)NC(=O)NCc2ccc3cc[nH]c3n2)cn1 ZINC000360506213 416393908 /nfs/dbraw/zinc/39/39/08/416393908.db2.gz YHEFLCKRNISCHU-CYBMUJFWSA-N 0 0 314.349 0.829 10 0 DCAERN O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1cccc2c1OCO2 ZINC000360575293 416397366 /nfs/dbraw/zinc/39/73/66/416397366.db2.gz AATGUHUKLCVQAL-QMMMGPOBSA-N 0 0 320.223 0.393 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000360694554 416404007 /nfs/dbraw/zinc/40/40/07/416404007.db2.gz IWVJYKZKISVTAE-WFASDCNBSA-N 0 0 320.389 0.709 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360711529 416404954 /nfs/dbraw/zinc/40/49/54/416404954.db2.gz GOZFPKCXVLBTPK-UHFFFAOYSA-N 0 0 302.338 0.386 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)CCCC3)n1 ZINC000360749757 416408034 /nfs/dbraw/zinc/40/80/34/416408034.db2.gz ZQXKXNIHJJVLQB-UHFFFAOYSA-N 0 0 313.361 0.949 10 0 DCAERN O=C(CN(CC(=O)N1CC(F)C1)c1ccccc1)N1CC(F)C1 ZINC000360789898 416410439 /nfs/dbraw/zinc/41/04/39/416410439.db2.gz YLCUKRGVQZGIJK-UHFFFAOYSA-N 0 0 323.343 0.854 10 0 DCAERN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583618414 416478755 /nfs/dbraw/zinc/47/87/55/416478755.db2.gz UHCRFXBKPAAICC-MRXNPFEDSA-N 0 0 324.344 0.724 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NCc2ccnn2C)cn1 ZINC000361700046 416479071 /nfs/dbraw/zinc/47/90/71/416479071.db2.gz FKCRUQNELNFOEK-SNVBAGLBSA-N 0 0 316.365 0.979 10 0 DCAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)Nc1ccon1 ZINC000583624072 416479633 /nfs/dbraw/zinc/47/96/33/416479633.db2.gz DUISCQGZZZPYNM-QWRGUYRKSA-N 0 0 320.328 1.199 10 0 DCAERN CN1C[C@@H](NC(=O)CN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000583620107 416480292 /nfs/dbraw/zinc/48/02/92/416480292.db2.gz ZERFRDUMMPLOIQ-UWVGGRQHSA-N 0 0 307.316 0.750 10 0 DCAERN C/C=C\C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361536227 416444995 /nfs/dbraw/zinc/44/49/95/416444995.db2.gz JNOTXTQLXSXUOZ-OPUZMVJGSA-N 0 0 317.407 0.825 10 0 DCAERN Cc1nnc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1C[C@@H]1CCCO1 ZINC000582274852 416449734 /nfs/dbraw/zinc/44/97/34/416449734.db2.gz MOXLYPOYMMKMSZ-UHTWSYAYSA-N 0 0 307.398 0.856 10 0 DCAERN CO[C@@H]1COC[C@@H]1NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000458362616 416456071 /nfs/dbraw/zinc/45/60/71/416456071.db2.gz QONCIUFDCQIANN-NWDGAFQWSA-N 0 0 323.349 0.576 10 0 DCAERN NC(=O)CSCC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361912790 416521987 /nfs/dbraw/zinc/52/19/87/416521987.db2.gz RXNLPLIQDHMHBU-SNVBAGLBSA-N 0 0 310.375 0.551 10 0 DCAERN CCOC(=O)c1csc(NCCCN(C)S(C)(=O)=O)n1 ZINC000590685583 416528289 /nfs/dbraw/zinc/52/82/89/416528289.db2.gz DHRSXYSCPQBIOG-UHFFFAOYSA-N 0 0 321.424 1.013 10 0 DCAERN CCCc1cnc(NC(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000459490347 416548163 /nfs/dbraw/zinc/54/81/63/416548163.db2.gz VFYDPSGCVQEWQK-VIFPVBQESA-N 0 0 310.383 0.870 10 0 DCAERN COCCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)C(N)=O ZINC000436139088 416550716 /nfs/dbraw/zinc/55/07/16/416550716.db2.gz XFRIBYKZHQIYDK-JTQLQIEISA-N 0 0 323.349 0.176 10 0 DCAERN CNC(=O)CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434774100 416494818 /nfs/dbraw/zinc/49/48/18/416494818.db2.gz LOFXQKXKVVQFPI-QMMMGPOBSA-N 0 0 324.406 0.411 10 0 DCAERN CC(C)n1cc([C@H](C)NC(=O)N2CC[C@@H](NC(N)=O)C2)cn1 ZINC000534225983 416495340 /nfs/dbraw/zinc/49/53/40/416495340.db2.gz GXXPMWWQNIHATE-CMPLNLGQSA-N 0 0 308.386 0.977 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NC[C@H](O)C3CC3)no2)CCCC1 ZINC000434813437 416497600 /nfs/dbraw/zinc/49/76/00/416497600.db2.gz KBOZSWBTOIUCRH-NSHDSACASA-N 0 0 321.377 1.332 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C(C)=O)C[C@@H]1C)[C@H]1CCCO1 ZINC000434861646 416499593 /nfs/dbraw/zinc/49/95/93/416499593.db2.gz NZAWAOPPPPPADD-FPMFFAJLSA-N 0 0 313.398 0.443 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NC[C@H](O)C(F)F)cn1 ZINC000361850557 416508641 /nfs/dbraw/zinc/50/86/41/416508641.db2.gz RJPDTDRKBGHAQY-CBAPKCEASA-N 0 0 316.308 0.671 10 0 DCAERN Cc1noc(CCNc2nccc(N[C@H]3CCCOC3)n2)n1 ZINC000435334792 416518201 /nfs/dbraw/zinc/51/82/01/416518201.db2.gz CKARMUSJVCBURH-NSHDSACASA-N 0 0 304.354 1.414 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1cnccc1=O ZINC000585237961 416519332 /nfs/dbraw/zinc/51/93/32/416519332.db2.gz ASEACBJXQDEAHG-XHDPSFHLSA-N 0 0 315.329 0.588 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c(O)cccc1O ZINC000436647806 416565574 /nfs/dbraw/zinc/56/55/74/416565574.db2.gz LMIMMSJWZZSADB-NSHDSACASA-N 0 0 320.345 0.608 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NCCCCC(N)=O)c1 ZINC000537916180 416564421 /nfs/dbraw/zinc/56/44/21/416564421.db2.gz OCPXKLSQHNETID-UHFFFAOYSA-N 0 0 312.391 0.866 10 0 DCAERN CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000364657682 416593145 /nfs/dbraw/zinc/59/31/45/416593145.db2.gz JFSXDGCNEUGTBU-LBPRGKRZSA-N 0 0 317.393 0.786 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CCO1 ZINC000541061050 416601906 /nfs/dbraw/zinc/60/19/06/416601906.db2.gz UBAOKMLGLSTBDT-ZDUSSCGKSA-N 0 0 316.361 0.992 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000541548322 416609240 /nfs/dbraw/zinc/60/92/40/416609240.db2.gz BMOCJXAABJARFD-WCQYABFASA-N 0 0 314.345 0.940 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000365711892 416609285 /nfs/dbraw/zinc/60/92/85/416609285.db2.gz MXAASRBHLXBCDG-RYUDHWBXSA-N 0 0 313.427 0.961 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cn3cccnc3n2)O1 ZINC000538227844 416566060 /nfs/dbraw/zinc/56/60/60/416566060.db2.gz KZUIPBWBFVNSGW-CMPLNLGQSA-N 0 0 317.349 0.095 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1O ZINC000436713983 416568459 /nfs/dbraw/zinc/56/84/59/416568459.db2.gz GWROXMQUAUWKGA-MNOVXSKESA-N 0 0 322.361 0.887 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)Nc2nccn(C)c2=O)cc1 ZINC000362605299 416569085 /nfs/dbraw/zinc/56/90/85/416569085.db2.gz DLWOMLMERIDEJH-UHFFFAOYSA-N 0 0 300.318 1.015 10 0 DCAERN CNc1ncc(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)s1 ZINC000363674568 416578007 /nfs/dbraw/zinc/57/80/07/416578007.db2.gz RUQKSPUAFAURBG-SNVBAGLBSA-N 0 0 302.359 1.330 10 0 DCAERN COC[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(F)cc1 ZINC000437389452 416583803 /nfs/dbraw/zinc/58/38/03/416583803.db2.gz IORWMOUPBBSASB-GFCCVEGCSA-N 0 0 323.324 0.571 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000364419333 416589679 /nfs/dbraw/zinc/58/96/79/416589679.db2.gz HOKYTVXZRMNMPN-CYBMUJFWSA-N 0 0 308.382 0.415 10 0 DCAERN COc1cccc(CCNc2ncc(S(N)(=O)=O)s2)n1 ZINC000441788527 416681306 /nfs/dbraw/zinc/68/13/06/416681306.db2.gz LFFJLDASELUCRW-UHFFFAOYSA-N 0 0 314.392 0.849 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[C@@H](O)C1 ZINC000439520238 416615574 /nfs/dbraw/zinc/61/55/74/416615574.db2.gz URVVSRWIBYZKSO-MRVWCRGKSA-N 0 0 310.394 0.434 10 0 DCAERN Cc1nccc(N2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)n1 ZINC000439724496 416621526 /nfs/dbraw/zinc/62/15/26/416621526.db2.gz ZEFFCQGCRSURSR-UONOGXRCSA-N 0 0 304.394 0.985 10 0 DCAERN CC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440068906 416625540 /nfs/dbraw/zinc/62/55/40/416625540.db2.gz FJUNHUWBSHXDTI-NSHDSACASA-N 0 0 319.361 0.639 10 0 DCAERN C[C@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440068096 416626101 /nfs/dbraw/zinc/62/61/01/416626101.db2.gz FYINKOSPEQRIMH-JTQLQIEISA-N 0 0 305.334 0.249 10 0 DCAERN Cc1nc(CCNC(=O)N2CCN3CCOC[C@H]3C2)c(C)o1 ZINC000542758565 416629039 /nfs/dbraw/zinc/62/90/39/416629039.db2.gz FLAPQQFETSCHFV-CYBMUJFWSA-N 0 0 308.382 0.560 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000542757601 416629146 /nfs/dbraw/zinc/62/91/46/416629146.db2.gz HDMJEPGDNFLUMV-RYUDHWBXSA-N 0 0 305.396 0.769 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(CCNS(C)(=O)=O)CC2 ZINC000366742145 416635619 /nfs/dbraw/zinc/63/56/19/416635619.db2.gz XXDDMISAFDUQEN-UHFFFAOYSA-N 0 0 310.419 0.839 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCC(Cn2ccnn2)CC1 ZINC000543388620 416639565 /nfs/dbraw/zinc/63/95/65/416639565.db2.gz DYYVAGBTEPTKDD-UHFFFAOYSA-N 0 0 311.349 0.873 10 0 DCAERN COC(=O)C1(O)CCN(C(=O)c2cccc3nccnc32)CC1 ZINC000543568480 416643129 /nfs/dbraw/zinc/64/31/29/416643129.db2.gz IOGSCLLOLHSYAK-UHFFFAOYSA-N 0 0 315.329 0.770 10 0 DCAERN CCc1cc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)on1 ZINC000607430913 416646388 /nfs/dbraw/zinc/64/63/88/416646388.db2.gz IHADJMPYBOAYMX-UHFFFAOYSA-N 0 0 317.349 0.953 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)CCn2cncn2)(C(=O)OC)C1(C)C ZINC000440846865 416651687 /nfs/dbraw/zinc/65/16/87/416651687.db2.gz UTZAYLXUINMLTJ-NHYWBVRUSA-N 0 0 324.381 0.531 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)cn1 ZINC000514587110 416664031 /nfs/dbraw/zinc/66/40/31/416664031.db2.gz YUFNFLGDOYTUGG-KGLIPLIRSA-N 0 0 321.377 0.786 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@@H](NC(N)=O)C2)CCO[C@@H]1C1CC1 ZINC000545243350 416668397 /nfs/dbraw/zinc/66/83/97/416668397.db2.gz RHYHSYBIFUYBJH-LALPHHSUSA-N 0 0 310.398 0.644 10 0 DCAERN COCCOC[C@@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000441451757 416672562 /nfs/dbraw/zinc/67/25/62/416672562.db2.gz SGSFCUHQEABHHR-GFCCVEGCSA-N 0 0 311.382 0.983 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)N1CC(n2ccnn2)C1 ZINC000368601259 416672901 /nfs/dbraw/zinc/67/29/01/416672901.db2.gz JUPVGBLDGRAIMO-UHFFFAOYSA-N 0 0 320.374 0.769 10 0 DCAERN CCc1ncsc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000545329232 416675039 /nfs/dbraw/zinc/67/50/39/416675039.db2.gz CMPNFILLKASCEL-SNVBAGLBSA-N 0 0 312.395 0.810 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000443350696 416753240 /nfs/dbraw/zinc/75/32/40/416753240.db2.gz JNWMWTNYPMKOPL-UHFFFAOYSA-N 0 0 323.324 0.490 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)s1 ZINC000442087144 416686310 /nfs/dbraw/zinc/68/63/10/416686310.db2.gz YLRIBBINPWEKHN-VIFPVBQESA-N 0 0 315.420 0.716 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccccc1OCCO ZINC000442144351 416687079 /nfs/dbraw/zinc/68/70/79/416687079.db2.gz DQJRSKOZGRYCAP-WCQYABFASA-N 0 0 321.377 0.524 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442118578 416688137 /nfs/dbraw/zinc/68/81/37/416688137.db2.gz XPLXOGCSSZETRU-LBPRGKRZSA-N 0 0 309.391 0.655 10 0 DCAERN Cc1cc(NC(=O)NCc2cccc(N3CCOCC3)n2)no1 ZINC000548478988 416688708 /nfs/dbraw/zinc/68/87/08/416688708.db2.gz FJSKNEDVWUNLQU-UHFFFAOYSA-N 0 0 317.349 1.536 10 0 DCAERN CN(CCCO)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000442585085 416697701 /nfs/dbraw/zinc/69/77/01/416697701.db2.gz YKCOUNNZUDTTCD-UHFFFAOYSA-N 0 0 306.409 0.675 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCC(C)(C)CCO)cn1 ZINC000442636746 416700389 /nfs/dbraw/zinc/70/03/89/416700389.db2.gz JKWXBBOKMIFZLQ-UHFFFAOYSA-N 0 0 308.382 0.611 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2csc(NC3CC3)n2)C1 ZINC000552354157 416701065 /nfs/dbraw/zinc/70/10/65/416701065.db2.gz RHQCJXQHEDXULH-SNVBAGLBSA-N 0 0 308.407 1.316 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCn3nnc(CO)c3C2)cc1 ZINC000556998646 416723652 /nfs/dbraw/zinc/72/36/52/416723652.db2.gz MTSKRDKMWJWDGI-UHFFFAOYSA-N 0 0 300.318 0.629 10 0 DCAERN CN(CCCO)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000443002448 416725136 /nfs/dbraw/zinc/72/51/36/416725136.db2.gz UMYAIDSEECFBQY-UHFFFAOYSA-N 0 0 318.370 0.335 10 0 DCAERN Cc1cc(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)on1 ZINC000557140965 416726097 /nfs/dbraw/zinc/72/60/97/416726097.db2.gz YPXKJRJVYIEWHB-CHWSQXEVSA-N 0 0 319.361 0.817 10 0 DCAERN CN(CCCO)S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000443092072 416732891 /nfs/dbraw/zinc/73/28/91/416732891.db2.gz IRXAAQFTTNKZKV-UHFFFAOYSA-N 0 0 324.402 0.525 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557376552 416732909 /nfs/dbraw/zinc/73/29/09/416732909.db2.gz GMSUGQJVUGSWSM-PWSUYJOCSA-N 0 0 304.350 0.796 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)C ZINC000443200960 416735766 /nfs/dbraw/zinc/73/57/66/416735766.db2.gz UPUSZMSFISVUBT-UWVGGRQHSA-N 0 0 322.427 0.408 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000369744046 416823715 /nfs/dbraw/zinc/82/37/15/416823715.db2.gz CEXYDYDUZGTFPV-NDBYEHHHSA-N 0 0 313.398 0.474 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC[C@H](C)OC)c1 ZINC000443567731 416768948 /nfs/dbraw/zinc/76/89/48/416768948.db2.gz DTBHPVBRAGFJDW-VIFPVBQESA-N 0 0 301.368 0.751 10 0 DCAERN C[C@@H]1CN(C(=O)COc2cnn(C)c2)c2ccccc2C(=O)N1 ZINC000558577105 416778630 /nfs/dbraw/zinc/77/86/30/416778630.db2.gz SUMOAGFZMUIJEM-LLVKDONJSA-N 0 0 314.345 0.964 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCOCC2CCC2)C1=O ZINC000558649227 416781621 /nfs/dbraw/zinc/78/16/21/416781621.db2.gz UFSMNRUOGAVOPM-MRXNPFEDSA-N 0 0 323.393 0.640 10 0 DCAERN CCCc1nc(C)c(CNC(=O)c2nc3n(n2)CCCN3)o1 ZINC000615203093 416785919 /nfs/dbraw/zinc/78/59/19/416785919.db2.gz ZOXMVKDRQWKUQU-UHFFFAOYSA-N 0 0 304.354 0.530 10 0 DCAERN O=C(Cn1cccn1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000561992341 416861368 /nfs/dbraw/zinc/86/13/68/416861368.db2.gz APASJKZZGWTCIH-GFCCVEGCSA-N 0 0 311.349 0.639 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289979 416829245 /nfs/dbraw/zinc/82/92/45/416829245.db2.gz TYMIXCIWIZMHOL-MFKMUULPSA-N 0 0 322.427 0.519 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)C(=O)NCC(F)F ZINC000444289698 416830383 /nfs/dbraw/zinc/83/03/83/416830383.db2.gz NUNBQQNGIRWUAZ-SECBINFHSA-N 0 0 314.288 0.714 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000369813203 416834067 /nfs/dbraw/zinc/83/40/67/416834067.db2.gz FQKBQZWWJKUBMV-IJLUTSLNSA-N 0 0 312.435 0.964 10 0 DCAERN CC(=O)N1CCN(Cc2cccc(NC(=O)CC(N)=O)c2)CC1 ZINC000444412071 416841278 /nfs/dbraw/zinc/84/12/78/416841278.db2.gz OZIAYFNJCPRWOY-UHFFFAOYSA-N 0 0 318.377 0.165 10 0 DCAERN c1cc(-c2nnc(NCCc3nnc4n3CCC4)s2)no1 ZINC000561103171 416857666 /nfs/dbraw/zinc/85/76/66/416857666.db2.gz DVIVIFXRYGWJDJ-UHFFFAOYSA-N 0 0 303.351 1.385 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000373503956 416955974 /nfs/dbraw/zinc/95/59/74/416955974.db2.gz HIVDCAMORHBSPQ-BXUZGUMPSA-N 0 0 323.418 0.800 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccco2)CC1 ZINC000445736545 416900169 /nfs/dbraw/zinc/90/01/69/416900169.db2.gz ZMQHKPXULKIDTF-UHFFFAOYSA-N 0 0 316.379 0.538 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1c[nH]nc1C ZINC000623824063 416900982 /nfs/dbraw/zinc/90/09/82/416900982.db2.gz WJVKPZSYWVLJJI-UHFFFAOYSA-N 0 0 323.397 0.144 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@@H]3COCCN3C2=O)c1 ZINC000445978092 416907350 /nfs/dbraw/zinc/90/73/50/416907350.db2.gz RJGFPIOYYVEEKJ-ZDUSSCGKSA-N 0 0 303.318 0.837 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@@H](C)N(C3CC3)C2=O)c1 ZINC000445947233 416907917 /nfs/dbraw/zinc/90/79/17/416907917.db2.gz SDTKXNKGEDLETN-SECBINFHSA-N 0 0 323.374 0.914 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000623854507 416908512 /nfs/dbraw/zinc/90/85/12/416908512.db2.gz ARRGWVNVICCFNC-KZZRWZIVSA-N 0 0 313.398 0.330 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000615819076 416915418 /nfs/dbraw/zinc/91/54/18/416915418.db2.gz ZTEHSYQEVHNCOS-DGAVXFQQSA-N 0 0 321.377 0.124 10 0 DCAERN CC[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)C[C@@H](C)[S@]1=O ZINC000521083765 416991479 /nfs/dbraw/zinc/99/14/79/416991479.db2.gz USBZLRLLEYMCAC-NVWLEHRWSA-N 0 0 319.467 0.774 10 0 DCAERN CC[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)C[C@@H](C)[S@@]1=O ZINC000521083766 416991633 /nfs/dbraw/zinc/99/16/33/416991633.db2.gz USBZLRLLEYMCAC-NJNXMEDGSA-N 0 0 319.467 0.774 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(CC(=O)N(C)CC2CC2)C1 ZINC000447386196 416997104 /nfs/dbraw/zinc/99/71/04/416997104.db2.gz QEXLIGAOHQWWFT-LSDHHAIUSA-N 0 0 314.426 0.201 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(F)cn1 ZINC000624345473 417011444 /nfs/dbraw/zinc/01/14/44/417011444.db2.gz IUIRWLYCYONNNS-UHFFFAOYSA-N 0 0 324.356 0.969 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCC3CC3)cnc21 ZINC000524054484 417097316 /nfs/dbraw/zinc/09/73/16/417097316.db2.gz LDYSAJSVOFVFPO-UHFFFAOYSA-N 0 0 302.334 0.954 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC(C)(COC)C2)c1 ZINC000447878713 417035627 /nfs/dbraw/zinc/03/56/27/417035627.db2.gz KUVBDWCYSDQBNF-UHFFFAOYSA-N 0 0 312.391 0.703 10 0 DCAERN c1cnc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)nn1 ZINC000624443493 417039569 /nfs/dbraw/zinc/03/95/69/417039569.db2.gz CVFMDTYUXMNYOR-UHFFFAOYSA-N 0 0 323.364 0.513 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCNc1ccccn1 ZINC000447963491 417050489 /nfs/dbraw/zinc/05/04/89/417050489.db2.gz JZRGCYSCJZDMTJ-INIZCTEOSA-N 0 0 316.361 0.223 10 0 DCAERN NS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000616608749 417083615 /nfs/dbraw/zinc/08/36/15/417083615.db2.gz CKUGXKFTWZFSPB-UHFFFAOYSA-N 0 0 304.393 0.128 10 0 DCAERN CC(=O)Nc1ccc([C@@H]2CCN(S(N)(=O)=O)CCO2)cc1 ZINC000616594075 417083926 /nfs/dbraw/zinc/08/39/26/417083926.db2.gz NXRLVPWSIMTLAW-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CS(=O)(=O)N1CCCOC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616649146 417087253 /nfs/dbraw/zinc/08/72/53/417087253.db2.gz QYABPARWXVHVDG-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN CCOC(=O)c1ccc([C@H]2CNCCN2S(N)(=O)=O)cc1 ZINC000616638830 417087956 /nfs/dbraw/zinc/08/79/56/417087956.db2.gz ISWVMBKHCVIGBJ-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2cccnn2)C1 ZINC000616634795 417088089 /nfs/dbraw/zinc/08/80/89/417088089.db2.gz YWLQIAFHARUPPG-ZDUSSCGKSA-N 0 0 307.398 0.948 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616664827 417089398 /nfs/dbraw/zinc/08/93/98/417089398.db2.gz ALSXOWZUBSDFRH-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CCOC(=O)c1cccc([C@H]2CN(S(C)(=O)=O)CCN2)c1 ZINC000616653283 417090229 /nfs/dbraw/zinc/09/02/29/417090229.db2.gz KXMLXNQYWGWTGC-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCO[C@@H](S(C)(=O)=O)C1 ZINC000616654491 417090726 /nfs/dbraw/zinc/09/07/26/417090726.db2.gz FLNADHNJVZKTEF-NSHDSACASA-N 0 0 322.427 0.604 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CN(S(C)(=O)=O)CCN1 ZINC000616655030 417090801 /nfs/dbraw/zinc/09/08/01/417090801.db2.gz RTODBKOPNUAUMJ-JTQLQIEISA-N 0 0 307.416 0.135 10 0 DCAERN Cn1cc(Br)c(CN[C@H]2CCCNC(=O)C2)n1 ZINC000393336398 417105629 /nfs/dbraw/zinc/10/56/29/417105629.db2.gz XXSBCDKOJRFWPC-QMMMGPOBSA-N 0 0 301.188 0.941 10 0 DCAERN COc1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1 ZINC000404210041 417117649 /nfs/dbraw/zinc/11/76/49/417117649.db2.gz UHVGYZPAUJOYSC-CYBMUJFWSA-N 0 0 301.364 0.515 10 0 DCAERN Cn1ncc(NCC[C@@]2(O)CCOC2)c(Br)c1=O ZINC000404197259 417118508 /nfs/dbraw/zinc/11/85/08/417118508.db2.gz GHSLVCKLWFCGEC-LLVKDONJSA-N 0 0 318.171 0.496 10 0 DCAERN COC(=O)Cc1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)n1 ZINC000616850287 417121518 /nfs/dbraw/zinc/12/15/18/417121518.db2.gz HCLBAULRHUMGFZ-JTQLQIEISA-N 0 0 321.337 0.072 10 0 DCAERN COC(=O)C1(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)CC1 ZINC000431472858 417126111 /nfs/dbraw/zinc/12/61/11/417126111.db2.gz QFFQOVBONBWOQH-VHSXEESVSA-N 0 0 309.322 0.620 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408022150 417131676 /nfs/dbraw/zinc/13/16/76/417131676.db2.gz RJRBNPPOHJLSJD-KBPBESRZSA-N 0 0 305.378 0.944 10 0 DCAERN CN(C)C(=O)O[C@H]1CCCN(C(=O)COCc2ccnn2C)C1 ZINC000295733849 225176261 /nfs/dbraw/zinc/17/62/61/225176261.db2.gz VDLKQXBXVQJTQC-ZDUSSCGKSA-N 0 0 324.381 0.626 10 0 DCAERN Cc1nccn1CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408122441 417142974 /nfs/dbraw/zinc/14/29/74/417142974.db2.gz KDYMNZWEGQVREB-AWEZNQCLSA-N 0 0 320.393 0.289 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000408045873 417136375 /nfs/dbraw/zinc/13/63/75/417136375.db2.gz IWFAWTIAHVDLJV-OFQRWUPVSA-N 0 0 310.394 0.530 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCS[C@@H](C(C)C)C2)C1 ZINC000408054554 417136622 /nfs/dbraw/zinc/13/66/22/417136622.db2.gz SHJAKJJZLMOZRN-UKRRQHHQSA-N 0 0 314.451 0.960 10 0 DCAERN Cc1c(C(=O)N2C[C@H](O)C(C)(C)C2)cccc1S(N)(=O)=O ZINC000408265905 417150364 /nfs/dbraw/zinc/15/03/64/417150364.db2.gz NFJSPDVBWUKFJL-LBPRGKRZSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CCCNC1=O ZINC000408370602 417155524 /nfs/dbraw/zinc/15/55/24/417155524.db2.gz MZZPWYZPCIYRBR-QGZVFWFLSA-N 0 0 315.373 0.778 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000408373325 417156924 /nfs/dbraw/zinc/15/69/24/417156924.db2.gz KTMPCROBZCGIJI-HBNTYKKESA-N 0 0 313.423 0.410 10 0 DCAERN Cn1nc(NC(=O)N2CCC(C)(O)CC2)cc1OC(F)F ZINC000408383307 417158151 /nfs/dbraw/zinc/15/81/51/417158151.db2.gz VTEPWGBWOMYWMR-UHFFFAOYSA-N 0 0 304.297 1.400 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000617299381 417197116 /nfs/dbraw/zinc/19/71/16/417197116.db2.gz HNSNXPLQPLBJFS-NEPJUHHUSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1nnnn1C ZINC000450104401 417198301 /nfs/dbraw/zinc/19/83/01/417198301.db2.gz LVQCUFUPMBUSJF-JTQLQIEISA-N 0 0 307.329 0.913 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2F)CCS1(=O)=O ZINC000632626685 417201439 /nfs/dbraw/zinc/20/14/39/417201439.db2.gz QELNFUVCQDVNNB-QMMMGPOBSA-N 0 0 322.383 0.216 10 0 DCAERN CC1(C)CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@]2(CCOC2)O1 ZINC000527026392 417204333 /nfs/dbraw/zinc/20/43/33/417204333.db2.gz GIDKNJFIFNUYAK-SJCJKPOMSA-N 0 0 322.405 0.794 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408459134 417163882 /nfs/dbraw/zinc/16/38/82/417163882.db2.gz XBIADCJSORRLEI-IJLUTSLNSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)COCc1ccccc1)N1CCNCC1=O ZINC000638022082 417285917 /nfs/dbraw/zinc/28/59/17/417285917.db2.gz QJUHZOHJOSPJIU-UONOGXRCSA-N 0 0 319.405 0.528 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncnc3c2cnn3C)CC12COC2 ZINC000450569460 417241298 /nfs/dbraw/zinc/24/12/98/417241298.db2.gz WPIPKIVMYSIWJQ-NSHDSACASA-N 0 0 317.349 0.379 10 0 DCAERN CCCN(C(=O)Cc1cn(C)nc1C)[C@H]1CC(=O)N(C)C1=O ZINC000451509804 417355322 /nfs/dbraw/zinc/35/53/22/417355322.db2.gz ZIQAIZCNVWBYQX-LBPRGKRZSA-N 0 0 306.366 0.267 10 0 DCAERN CCCCCNC(=O)CN1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451125363 417303280 /nfs/dbraw/zinc/30/32/80/417303280.db2.gz LJXSNWCHHDERQO-ZDUSSCGKSA-N 0 0 312.410 0.804 10 0 DCAERN CCCn1ncnc1CN1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451131640 417303492 /nfs/dbraw/zinc/30/34/92/417303492.db2.gz HMMUWGJNDYBVEW-GFCCVEGCSA-N 0 0 308.382 0.700 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CSC1CC1 ZINC000451239341 417322519 /nfs/dbraw/zinc/32/25/19/417322519.db2.gz BBIRECNNKYYYIJ-DTWKUNHWSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(CC)n1 ZINC000451251213 417324546 /nfs/dbraw/zinc/32/45/46/417324546.db2.gz YUILQMRTPORRBH-WDEREUQCSA-N 0 0 321.377 0.830 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCSC[C@H]1CCO ZINC000451348227 417333478 /nfs/dbraw/zinc/33/34/78/417333478.db2.gz VLLJTDXKFJPEHD-NWDGAFQWSA-N 0 0 311.469 0.789 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000633267530 417397570 /nfs/dbraw/zinc/39/75/70/417397570.db2.gz QFLHBWXPWPYKPU-KBUPBQIOSA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncns2)CC1 ZINC000633304129 417405355 /nfs/dbraw/zinc/40/53/55/417405355.db2.gz BCPUYXCUPPXSON-NSHDSACASA-N 0 0 309.395 0.198 10 0 DCAERN CCn1nccc1NC(=O)C(=O)NCCc1ccccc1O ZINC000438793936 287375974 /nfs/dbraw/zinc/37/59/74/287375974.db2.gz UKBIOHJMUJSGOS-UHFFFAOYSA-N 0 0 302.334 0.906 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1nc2ccccc2c(=O)[nH]1 ZINC000633135949 417374757 /nfs/dbraw/zinc/37/47/57/417374757.db2.gz DNQGPJAMTMHERD-CYBMUJFWSA-N 0 0 314.345 0.963 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)CC12COC2 ZINC000452224792 417459992 /nfs/dbraw/zinc/45/99/92/417459992.db2.gz PSMVREOZXSMLAC-MROQNXINSA-N 0 0 311.378 0.838 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000633684992 417478320 /nfs/dbraw/zinc/47/83/20/417478320.db2.gz DDUHTGPCQAURHK-UONOGXRCSA-N 0 0 301.346 0.677 10 0 DCAERN CN(C)c1nccc(N[C@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000573981917 417479285 /nfs/dbraw/zinc/47/92/85/417479285.db2.gz JVPIYYVSOUIUOV-NSHDSACASA-N 0 0 315.381 0.884 10 0 DCAERN CO[C@@H]1C[C@@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000575415995 417534947 /nfs/dbraw/zinc/53/49/47/417534947.db2.gz MXBHVTZBVDMMDC-KBXIAJHMSA-N 0 0 323.345 0.470 10 0 DCAERN O=S1(=O)CCC[C@H]1c1nnc(I)o1 ZINC000575599104 417540248 /nfs/dbraw/zinc/54/02/48/417540248.db2.gz SPPNUOURKSMTIQ-BYPYZUCNSA-N 0 0 314.104 0.924 10 0 DCAERN NC(=O)N[C@H]1CCN(S(=O)(=O)c2cnc3ccccc3c2)C1 ZINC000575280327 417524577 /nfs/dbraw/zinc/52/45/77/417524577.db2.gz NDFAAAPPXJNFDH-NSHDSACASA-N 0 0 320.374 0.666 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccnn2C)CC12COC2 ZINC000455163876 417593478 /nfs/dbraw/zinc/59/34/78/417593478.db2.gz UJUWZBRPTABLLS-SNVBAGLBSA-N 0 0 308.338 0.464 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H](C)N1CCO ZINC000455126298 417594877 /nfs/dbraw/zinc/59/48/77/417594877.db2.gz DCEZCUQIMDQVTE-TXEJJXNPSA-N 0 0 324.429 0.952 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000530418132 417574641 /nfs/dbraw/zinc/57/46/41/417574641.db2.gz IVSPQTFPARRDQQ-NEPJUHHUSA-N 0 0 312.391 0.560 10 0 DCAERN O=C(NCCN1CCC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440052286 287393058 /nfs/dbraw/zinc/39/30/58/287393058.db2.gz ORZFCBYPLIOFLZ-UHFFFAOYSA-N 0 0 316.361 0.184 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)CCCN2C(=O)CCC2=O)[nH]n1 ZINC000531761114 417637929 /nfs/dbraw/zinc/63/79/29/417637929.db2.gz VQCXBNXSDWIYAG-SNVBAGLBSA-N 0 0 306.366 0.695 10 0 DCAERN CCS(=O)(=O)C1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000456306577 417641529 /nfs/dbraw/zinc/64/15/29/417641529.db2.gz NLGLDVBOLKVWCE-LLVKDONJSA-N 0 0 324.402 0.450 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)CCOC2CCOCC2)C1 ZINC000531610248 417630156 /nfs/dbraw/zinc/63/01/56/417630156.db2.gz GYORUQUTRJHWBC-LBPRGKRZSA-N 0 0 313.398 0.492 10 0 DCAERN Cn1cnnc1COCC(=O)N[C@H]1CCOc2ccccc21 ZINC000645030629 417693445 /nfs/dbraw/zinc/69/34/45/417693445.db2.gz GPESMGBQTPDECN-LBPRGKRZSA-N 0 0 302.334 0.972 10 0 DCAERN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000456357127 417644017 /nfs/dbraw/zinc/64/40/17/417644017.db2.gz URECZWOEWIGEBT-ZDUSSCGKSA-N 0 0 320.393 0.955 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N(C)CC(C)(C)OC)cn1C ZINC000532073537 417656834 /nfs/dbraw/zinc/65/68/34/417656834.db2.gz FLQTUOQEWIHXKY-UHFFFAOYSA-N 0 0 317.411 0.430 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1nnnn1C ZINC000532072552 417656915 /nfs/dbraw/zinc/65/69/15/417656915.db2.gz HTIGTJBUMWKBBE-STQMWFEESA-N 0 0 306.414 0.823 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000577246385 417675505 /nfs/dbraw/zinc/67/55/05/417675505.db2.gz BYIBRZCLOGYGFE-UONOGXRCSA-N 0 0 322.405 0.842 10 0 DCAERN O=C(NCCn1ncnn1)Nc1cccc(N2CCOCC2)c1 ZINC000532512888 417681210 /nfs/dbraw/zinc/68/12/10/417681210.db2.gz FTILGVSPWNTYBZ-UHFFFAOYSA-N 0 0 317.353 0.331 10 0 DCAERN C[C@H](Cc1ccccc1F)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457984196 417713849 /nfs/dbraw/zinc/71/38/49/417713849.db2.gz WTMVXQXVQUBSOW-DGCLKSJQSA-N 0 0 321.356 0.709 10 0 DCAERN COc1cc(C)cc(C(=O)NC[C@H](O)Cn2ccnn2)c1O ZINC000458151250 417725488 /nfs/dbraw/zinc/72/54/88/417725488.db2.gz WKLYYTJYNAAYNG-JTQLQIEISA-N 0 0 306.322 0.092 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458144160 417725691 /nfs/dbraw/zinc/72/56/91/417725691.db2.gz QDBCJBIZLRUPDI-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1nn(C)cc1Br ZINC000582123772 417732603 /nfs/dbraw/zinc/73/26/03/417732603.db2.gz JFVXHBAYPAQBEB-VIFPVBQESA-N 0 0 315.171 1.132 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000173998793 545884209 /nfs/dbraw/zinc/88/42/09/545884209.db2.gz ARFKMILWNNUNRF-UONOGXRCSA-N 0 0 318.439 0.292 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cc(C)on2)CC12COC2 ZINC000452619490 287482956 /nfs/dbraw/zinc/48/29/56/287482956.db2.gz XJZAVIRKHGLAIM-LBPRGKRZSA-N 0 0 308.334 0.564 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)O1 ZINC000189600148 545922049 /nfs/dbraw/zinc/92/20/49/545922049.db2.gz KPOOBBWDAZLGPD-GHMZBOCLSA-N 0 0 304.412 0.484 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)CCOC ZINC000488300295 287548916 /nfs/dbraw/zinc/54/89/16/287548916.db2.gz TWNIMKTYWYQOFJ-WDEREUQCSA-N 0 0 316.398 0.622 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccnn1C(C)C ZINC000488310220 287549166 /nfs/dbraw/zinc/54/91/66/287549166.db2.gz GRFUFOUBIRZLAT-QWRGUYRKSA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000488281978 287548135 /nfs/dbraw/zinc/54/81/35/287548135.db2.gz JOJOOKPIKXIDFU-BDAKNGLRSA-N 0 0 323.349 0.738 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000228369271 545945268 /nfs/dbraw/zinc/94/52/68/545945268.db2.gz UGCZCRGONODZLO-RYUDHWBXSA-N 0 0 304.412 0.031 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000299578791 229227267 /nfs/dbraw/zinc/22/72/67/229227267.db2.gz BHRIFTZACFNTQC-ZYHUDNBSSA-N 0 0 303.370 0.777 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3CCOC3)CCO2)n1 ZINC000179164598 261112220 /nfs/dbraw/zinc/11/22/20/261112220.db2.gz QVBRFAUZELAVPF-KGLIPLIRSA-N 0 0 308.382 0.699 10 0 DCAERN CCNC(=O)CNC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000179457647 261112659 /nfs/dbraw/zinc/11/26/59/261112659.db2.gz NPCKKGSOONZMAR-JTQLQIEISA-N 0 0 306.357 0.493 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CCN1CC(F)F ZINC000179681310 261113598 /nfs/dbraw/zinc/11/35/98/261113598.db2.gz QBUUYQSROYPGES-LLVKDONJSA-N 0 0 320.384 0.836 10 0 DCAERN Cn1c(NC(=O)CN2CC(=O)NC2=O)nc2cccc(Cl)c21 ZINC000183847643 261117167 /nfs/dbraw/zinc/11/71/67/261117167.db2.gz CLWUBNFHBBTGOC-UHFFFAOYSA-N 0 0 321.724 0.717 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CC(=O)NC1CC1 ZINC000184727546 261119832 /nfs/dbraw/zinc/11/98/32/261119832.db2.gz PPLFZHUMSXVZRZ-HNNXBMFYSA-N 0 0 305.353 0.886 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCc1cc(C(N)=O)co1 ZINC000186684601 261121019 /nfs/dbraw/zinc/12/10/19/261121019.db2.gz CBDHOGQPGXCXGC-LBPRGKRZSA-N 0 0 324.381 0.873 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)c2cccc3ncccc32)C1 ZINC000187285727 261123727 /nfs/dbraw/zinc/12/37/27/261123727.db2.gz NASBVCHSIIVBCF-UHFFFAOYSA-N 0 0 319.386 0.856 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187846889 261125064 /nfs/dbraw/zinc/12/50/64/261125064.db2.gz OTDAUEKGNFSPAG-NXEZZACHSA-N 0 0 308.334 0.974 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000188163163 261125967 /nfs/dbraw/zinc/12/59/67/261125967.db2.gz UYQOTYAJGORBEI-LSDHHAIUSA-N 0 0 319.405 0.818 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188584968 261129760 /nfs/dbraw/zinc/12/97/60/261129760.db2.gz VIXOVFXPKNGWEO-WDEREUQCSA-N 0 0 303.428 0.708 10 0 DCAERN COc1ccc(CNC(=O)CN2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000190133603 261133876 /nfs/dbraw/zinc/13/38/76/261133876.db2.gz FEHWWDABQMKFKE-SWLSCSKDSA-N 0 0 308.378 0.393 10 0 DCAERN CCOC(=O)[C@H](NC(=O)Cn1cnnn1)c1ccc(Cl)cc1 ZINC000193859219 261144006 /nfs/dbraw/zinc/14/40/06/261144006.db2.gz PSKGEMOMNXANMP-GFCCVEGCSA-N 0 0 323.740 0.747 10 0 DCAERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCOCCO)C(C)C ZINC000194042895 261144942 /nfs/dbraw/zinc/14/49/42/261144942.db2.gz ZCZQEYDZDDZEFC-HNNXBMFYSA-N 0 0 322.405 0.875 10 0 DCAERN CN(CC1(O)CCOCC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000228067590 261153148 /nfs/dbraw/zinc/15/31/48/261153148.db2.gz GEPMFKGCDVUEPP-UHFFFAOYSA-N 0 0 323.802 0.236 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000229421046 261153651 /nfs/dbraw/zinc/15/36/51/261153651.db2.gz CEEMAZSKRXILJD-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000230193405 261153950 /nfs/dbraw/zinc/15/39/50/261153950.db2.gz BBKHHDINKUJRNR-ZRUFSTJUSA-N 0 0 312.457 0.042 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000354892592 261282850 /nfs/dbraw/zinc/28/28/50/261282850.db2.gz FCYJNFFWTSVFAF-VNQPRFMTSA-N 0 0 318.373 0.832 10 0 DCAERN O=C(Cn1cnnn1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000356032925 261384423 /nfs/dbraw/zinc/38/44/23/261384423.db2.gz DDVRMSPBXWFCOD-QWRGUYRKSA-N 0 0 324.385 0.463 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCC(C(=O)NCCCO)CC1 ZINC000357413027 261538215 /nfs/dbraw/zinc/53/82/15/261538215.db2.gz FKBWEGXJRGDMKZ-UHFFFAOYSA-N 0 0 320.389 0.672 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](COC)OC)C1 ZINC000358407821 261664968 /nfs/dbraw/zinc/66/49/68/261664968.db2.gz VUUXFCRSYUWWNB-NWDGAFQWSA-N 0 0 301.387 0.348 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)[C@@H](C)C1 ZINC000358683395 261692783 /nfs/dbraw/zinc/69/27/83/261692783.db2.gz DQAJNBBSZLAFIO-WFASDCNBSA-N 0 0 309.410 0.713 10 0 DCAERN CO[C@]1(CNC(=O)N2CCSC[C@H]2CCO)CCOC1 ZINC000360472164 261835042 /nfs/dbraw/zinc/83/50/42/261835042.db2.gz FASURFBJZSDKBK-YPMHNXCESA-N 0 0 304.412 0.301 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@]2(OC)CCOC2)C1 ZINC000360466644 261835250 /nfs/dbraw/zinc/83/52/50/261835250.db2.gz HUKBWNHAMHVXCX-IUODEOHRSA-N 0 0 313.398 0.492 10 0 DCAERN CO[C@H](C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819900 261879742 /nfs/dbraw/zinc/87/97/42/261879742.db2.gz VJOIMRHGLOJSNQ-GHMZBOCLSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000361097415 261896855 /nfs/dbraw/zinc/89/68/55/261896855.db2.gz QPXRYGOXPBVILU-MGPQQGTHSA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC[C@H](C)[S@](C)=O)[C@@H](C)C1 ZINC000361371715 261917570 /nfs/dbraw/zinc/91/75/70/261917570.db2.gz IRGKVJVRQHETBS-MKXJDEKUSA-N 0 0 303.428 0.406 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)cn1 ZINC000362126199 262002325 /nfs/dbraw/zinc/00/23/25/262002325.db2.gz RCKCDOZCMSVKSH-GHMZBOCLSA-N 0 0 306.366 0.768 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000362240348 262014525 /nfs/dbraw/zinc/01/45/25/262014525.db2.gz VETKTQZHBYLDMZ-NSHDSACASA-N 0 0 309.366 0.488 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)COc2cnn(C)c2)no1 ZINC000362321692 262022607 /nfs/dbraw/zinc/02/26/07/262022607.db2.gz ORIZLJQBQYUPCW-UHFFFAOYSA-N 0 0 322.321 0.625 10 0 DCAERN COCCOCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000363178286 262104480 /nfs/dbraw/zinc/10/44/80/262104480.db2.gz KANHYBMAOXDWCG-UHFFFAOYSA-N 0 0 323.397 0.361 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c(C)c1 ZINC000363797589 262131332 /nfs/dbraw/zinc/13/13/32/262131332.db2.gz VILANZCOKDWFLJ-AWEZNQCLSA-N 0 0 317.389 0.785 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCN2CCOC[C@H]2C1 ZINC000363831827 262133085 /nfs/dbraw/zinc/13/30/85/262133085.db2.gz ZWAUMVIXPDVVOH-CQSZACIVSA-N 0 0 315.373 0.267 10 0 DCAERN Cn1ncc(C(=O)N2CCN3CCOC[C@H]3C2)c1-n1cccc1 ZINC000363835570 262134190 /nfs/dbraw/zinc/13/41/90/262134190.db2.gz SUJGQIZGJHPGTM-CYBMUJFWSA-N 0 0 315.377 0.367 10 0 DCAERN COc1ccccc1NCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363866009 262135345 /nfs/dbraw/zinc/13/53/45/262135345.db2.gz NZIPRQKRHBMTHA-ZDUSSCGKSA-N 0 0 305.378 0.650 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](O)CC1 ZINC000393227570 262161103 /nfs/dbraw/zinc/16/11/03/262161103.db2.gz UHIFNWGLDBDWRL-STQMWFEESA-N 0 0 318.439 0.564 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](O)CC1 ZINC000393227566 262161237 /nfs/dbraw/zinc/16/12/37/262161237.db2.gz UHIFNWGLDBDWRL-QWHCGFSZSA-N 0 0 318.439 0.564 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000186132211 270953835 /nfs/dbraw/zinc/95/38/35/270953835.db2.gz GQFYEJLUKAQFIA-LBPRGKRZSA-N 0 0 318.377 0.289 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)c1cccc2ncnn21 ZINC000361039720 271172661 /nfs/dbraw/zinc/17/26/61/271172661.db2.gz UCGVGYURMZCSDR-UHFFFAOYSA-N 0 0 310.379 0.674 10 0 DCAERN Cc1nn(C)c(OCC(F)(F)F)c1CN1CC(=O)N(C)C1 ZINC000361272732 271175734 /nfs/dbraw/zinc/17/57/34/271175734.db2.gz PZLFEQNWTFGHTC-UHFFFAOYSA-N 0 0 306.288 0.901 10 0 DCAERN CN1CCO[C@H](C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000367501023 271209465 /nfs/dbraw/zinc/20/94/65/271209465.db2.gz UCWGQRKXGYIEEO-RYUDHWBXSA-N 0 0 306.366 0.594 10 0 DCAERN C[C@H](CNC(=O)c1ccoc1Br)S(N)(=O)=O ZINC000398447203 271218638 /nfs/dbraw/zinc/21/86/38/271218638.db2.gz BUBSPEZMCILGQV-RXMQYKEDSA-N 0 0 311.157 0.449 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000434645808 271538217 /nfs/dbraw/zinc/53/82/17/271538217.db2.gz NAYARFKPYFSOPR-ZFWWWQNUSA-N 0 0 320.389 0.805 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)NCCC(N)=O)sc2C1 ZINC000434965058 271551653 /nfs/dbraw/zinc/55/16/53/271551653.db2.gz CUDFAEMRCCVKQT-SSDOTTSWSA-N 0 0 310.379 0.198 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)Cc2ccnn2C)c1 ZINC000435538535 271567097 /nfs/dbraw/zinc/56/70/97/271567097.db2.gz WQZJNNAPRCYJJE-UHFFFAOYSA-N 0 0 308.363 0.509 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCCn1ccnc1 ZINC000447903499 271804947 /nfs/dbraw/zinc/80/49/47/271804947.db2.gz NIJNSKSRGQGBKJ-HNNXBMFYSA-N 0 0 304.350 0.002 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000450105014 271869348 /nfs/dbraw/zinc/86/93/48/271869348.db2.gz MSODNIWIBPYXRD-UHFFFAOYSA-N 0 0 311.248 0.804 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129585 271890133 /nfs/dbraw/zinc/89/01/33/271890133.db2.gz CYUDGCQUPFWCND-LLVKDONJSA-N 0 0 307.350 0.959 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(F)cn2)CC12COC2 ZINC000452218630 271911349 /nfs/dbraw/zinc/91/13/49/271911349.db2.gz GSKNZKSJHYTNBA-LLVKDONJSA-N 0 0 308.309 0.872 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC12COC2 ZINC000452228840 271911865 /nfs/dbraw/zinc/91/18/65/271911865.db2.gz OGTJJRRWTWZEBY-LLVKDONJSA-N 0 0 306.318 0.439 10 0 DCAERN C[C@H](Cc1ccccc1F)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457984199 271939565 /nfs/dbraw/zinc/93/95/65/271939565.db2.gz WTMVXQXVQUBSOW-YPMHNXCESA-N 0 0 321.356 0.709 10 0 DCAERN O=C(Cc1ccc(Cl)c(F)c1)NC[C@H](O)Cn1ccnn1 ZINC000458138052 271943635 /nfs/dbraw/zinc/94/36/35/271943635.db2.gz MBVPRZUHFQEAJG-JTQLQIEISA-N 0 0 312.732 0.790 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)Cc1cccs1 ZINC000458454109 271958925 /nfs/dbraw/zinc/95/89/25/271958925.db2.gz ZFRFPNOZVUFKJT-RYUDHWBXSA-N 0 0 323.422 0.879 10 0 DCAERN CCOC(=O)c1nnsc1NC(=O)Cc1cn(C)nc1C ZINC000459986869 272022144 /nfs/dbraw/zinc/02/21/44/272022144.db2.gz SKANDOMXXORZNZ-UHFFFAOYSA-N 0 0 309.351 0.938 10 0 DCAERN COC(=O)CCCCCS(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000471624091 272027439 /nfs/dbraw/zinc/02/74/39/272027439.db2.gz GEAJJTADDCNYMB-QMMMGPOBSA-N 0 0 321.317 0.562 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(F)(F)F ZINC000487148960 272039129 /nfs/dbraw/zinc/03/91/29/272039129.db2.gz FLPPDRPZNHQGTI-JGVFFNPUSA-N 0 0 312.288 0.901 10 0 DCAERN COc1ncnc(OC)c1C(=O)NC[C@H](CO)c1cccnc1 ZINC000490097631 272069654 /nfs/dbraw/zinc/06/96/54/272069654.db2.gz WOSZSXVPGWWOKZ-LLVKDONJSA-N 0 0 318.333 0.395 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2ccncc2)CC1 ZINC000490812653 272082388 /nfs/dbraw/zinc/08/23/88/272082388.db2.gz QGJWQMSJHJWHOG-UHFFFAOYSA-N 0 0 320.393 0.860 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccncc1 ZINC000492274243 272120008 /nfs/dbraw/zinc/12/00/08/272120008.db2.gz MCKKOSXNTLDGAA-WDEREUQCSA-N 0 0 322.365 0.337 10 0 DCAERN CCN(CC)C(=O)[C@@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494407533 272221621 /nfs/dbraw/zinc/22/16/21/272221621.db2.gz UTMNAXMNUHZDOK-CYBMUJFWSA-N 0 0 313.442 0.813 10 0 DCAERN COC(=O)c1cncc(C(=O)NC[C@H](C)N2CCCCC2=O)c1 ZINC000526015317 272587427 /nfs/dbraw/zinc/58/74/27/272587427.db2.gz HYBFKOLKCCMVDG-NSHDSACASA-N 0 0 319.361 0.999 10 0 DCAERN C[C@H](CNC(=O)C(=O)c1cnn(C(C)(C)C)c1)S(C)(=O)=O ZINC000532825297 272797281 /nfs/dbraw/zinc/79/72/81/272797281.db2.gz UCDFUCCJUVXIHG-SECBINFHSA-N 0 0 315.395 0.370 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000527302810 287690577 /nfs/dbraw/zinc/69/05/77/287690577.db2.gz BIFURKYRFOKNNG-UWVGGRQHSA-N 0 0 300.380 0.416 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@H](N3CCCC3=O)C2)n1 ZINC000535744851 287840837 /nfs/dbraw/zinc/84/08/37/287840837.db2.gz MFHSKJJYRYVAJW-ZDUSSCGKSA-N 0 0 305.382 0.717 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000195341368 275763276 /nfs/dbraw/zinc/76/32/76/275763276.db2.gz AUSSEKBNOFYPKG-HIFRSBDPSA-N 0 0 315.373 0.688 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)n[nH]1 ZINC000537750838 287872045 /nfs/dbraw/zinc/87/20/45/287872045.db2.gz BONBALZMTQEACF-QMMMGPOBSA-N 0 0 300.322 0.827 10 0 DCAERN CCOC(=O)c1cnc(N2CCN(CCCO)CC2)nc1C ZINC000538190445 287875779 /nfs/dbraw/zinc/87/57/79/287875779.db2.gz NHGHPYSCTSTGKF-UHFFFAOYSA-N 0 0 308.382 0.466 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000540457916 287903397 /nfs/dbraw/zinc/90/33/97/287903397.db2.gz JUTQVOMFGNQVSV-UHFFFAOYSA-N 0 0 311.349 0.883 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408388836 276671464 /nfs/dbraw/zinc/67/14/64/276671464.db2.gz XSXWVUQXYFETNH-VXGBXAGGSA-N 0 0 323.393 0.734 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1=O ZINC000293155161 276979253 /nfs/dbraw/zinc/97/92/53/276979253.db2.gz UMDADVKGPZFPIS-JTQLQIEISA-N 0 0 301.346 0.877 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCOC(C)(C)C2)CCS1(=O)=O ZINC000126027133 287945550 /nfs/dbraw/zinc/94/55/50/287945550.db2.gz CUCQPTMVDMCERJ-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN COCCS(=O)(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000191091056 277541858 /nfs/dbraw/zinc/54/18/58/277541858.db2.gz HKTRQJWYEAABEI-UHFFFAOYSA-N 0 0 308.363 0.623 10 0 DCAERN CC(C)N(CC(N)=O)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000170916697 277564678 /nfs/dbraw/zinc/56/46/78/277564678.db2.gz UULGQHDTPMGHSJ-UHFFFAOYSA-N 0 0 322.756 0.652 10 0 DCAERN O=C(CCSCCOCCO)NC(=O)NCC(F)(F)F ZINC000545181906 287987101 /nfs/dbraw/zinc/98/71/01/287987101.db2.gz YQQFXSZGWJNAMH-UHFFFAOYSA-N 0 0 318.317 0.507 10 0 DCAERN COc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000116761635 277911512 /nfs/dbraw/zinc/91/15/12/277911512.db2.gz QODRTJHNXZZYMY-NSHDSACASA-N 0 0 315.333 0.356 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000408069466 277991972 /nfs/dbraw/zinc/99/19/72/277991972.db2.gz BPWBMFAYBBMTTD-SNVBAGLBSA-N 0 0 304.354 0.944 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000375426864 278024715 /nfs/dbraw/zinc/02/47/15/278024715.db2.gz QVYBFWNIUHTHGW-LMWOUKEDSA-N 0 0 310.394 0.792 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000332888343 278026118 /nfs/dbraw/zinc/02/61/18/278026118.db2.gz RXHSKIZHMYDJIT-KGLIPLIRSA-N 0 0 319.336 0.668 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)C1 ZINC000329321083 278032120 /nfs/dbraw/zinc/03/21/20/278032120.db2.gz GNGWTTMNVAOXGA-USXIJHARSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000330312211 278068070 /nfs/dbraw/zinc/06/80/70/278068070.db2.gz ODEXSAIIZZWAIL-LJISPDSOSA-N 0 0 322.405 0.528 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCCC2)C1 ZINC000116889535 278114674 /nfs/dbraw/zinc/11/46/74/278114674.db2.gz BCWGGBRECZQJMK-LBPRGKRZSA-N 0 0 303.428 0.013 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)C1 ZINC000171086603 278178263 /nfs/dbraw/zinc/17/82/63/278178263.db2.gz UABLKBHGEPTSIF-STQMWFEESA-N 0 0 320.397 0.211 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)N1CCc2ccccc2C1 ZINC000091810000 278193763 /nfs/dbraw/zinc/19/37/63/278193763.db2.gz IWNHOIITBCXPQO-SWLSCSKDSA-N 0 0 317.389 0.146 10 0 DCAERN CC(C)(C)N1C[C@@H](c2nc([C@H]3CN4CCN3CC4)no2)CC1=O ZINC000329701282 278352490 /nfs/dbraw/zinc/35/24/90/278352490.db2.gz HHZTUJJDQYFQAS-NWDGAFQWSA-N 0 0 319.409 0.856 10 0 DCAERN CNC(=O)C1CN(C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000547347180 288040073 /nfs/dbraw/zinc/04/00/73/288040073.db2.gz GVEMEOSPPORQQD-UHFFFAOYSA-N 0 0 318.377 0.733 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H](c2ccc(F)cc2)O1 ZINC000152006176 278399063 /nfs/dbraw/zinc/39/90/63/278399063.db2.gz WHVAVBIIPAWCQE-GXFFZTMASA-N 0 0 305.313 0.801 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000408439944 278401813 /nfs/dbraw/zinc/40/18/13/278401813.db2.gz WTFITSSSZJOQNV-MELADBBJSA-N 0 0 319.471 0.208 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000547449242 288047674 /nfs/dbraw/zinc/04/76/74/288047674.db2.gz SQQWJUSKFVOFHE-HZSPNIEDSA-N 0 0 301.383 0.570 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cccc2ncnn21 ZINC000547603064 288061777 /nfs/dbraw/zinc/06/17/77/288061777.db2.gz LUUDESFYLVURHK-WCQYABFASA-N 0 0 320.349 0.280 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177629115 278672079 /nfs/dbraw/zinc/67/20/79/278672079.db2.gz NPOLIBPJXUXILH-LBPRGKRZSA-N 0 0 313.361 0.965 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC000547657498 288066170 /nfs/dbraw/zinc/06/61/70/288066170.db2.gz GGISIFQYLDRJEG-LBPRGKRZSA-N 0 0 322.409 0.619 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000547756308 288075823 /nfs/dbraw/zinc/07/58/23/288075823.db2.gz JUMATULZCREHTK-CYBMUJFWSA-N 0 0 321.421 0.620 10 0 DCAERN Cc1csc(NC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000547784726 288079114 /nfs/dbraw/zinc/07/91/14/288079114.db2.gz IVORSJYHWMYAKG-JTQLQIEISA-N 0 0 308.407 0.991 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)C1 ZINC000547809482 288081643 /nfs/dbraw/zinc/08/16/43/288081643.db2.gz DGGRSWPMFUFSAQ-JTQLQIEISA-N 0 0 315.333 0.376 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000547979878 288097936 /nfs/dbraw/zinc/09/79/36/288097936.db2.gz DUHOSYPVFKYFLE-YPMHNXCESA-N 0 0 314.345 0.940 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000131316719 279141274 /nfs/dbraw/zinc/14/12/74/279141274.db2.gz KZRBHMMKVPRVSK-JTQLQIEISA-N 0 0 302.338 0.031 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000548059347 288107609 /nfs/dbraw/zinc/10/76/09/288107609.db2.gz WYSAONBJXBOBJV-ZWNOBZJWSA-N 0 0 320.345 0.604 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000548064360 288108261 /nfs/dbraw/zinc/10/82/61/288108261.db2.gz DOWGQZFUDMDWCV-CPUCHLNUSA-N 0 0 320.389 0.673 10 0 DCAERN Cc1cnn(-c2c(C(=O)NCc3ccn(C)n3)c(C)nn2C)c1 ZINC000548287850 288128641 /nfs/dbraw/zinc/12/86/41/288128641.db2.gz OBTDUPIRLYMVGH-UHFFFAOYSA-N 0 0 313.365 0.886 10 0 DCAERN COc1ccc(C2(NC(=O)CN3CCOCC3=O)CC2)cc1 ZINC000548388406 288138589 /nfs/dbraw/zinc/13/85/89/288138589.db2.gz JFIWNAZKIZWYHX-UHFFFAOYSA-N 0 0 304.346 0.659 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)CN3CCOCC3=O)cc21 ZINC000548391570 288138982 /nfs/dbraw/zinc/13/89/82/288138982.db2.gz ZUMMROLGCDXZBO-UHFFFAOYSA-N 0 0 315.329 0.336 10 0 DCAERN O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)NC2CC2)CCN1 ZINC000548446048 288143676 /nfs/dbraw/zinc/14/36/76/288143676.db2.gz WLUVNNUDYLENPI-ZDUSSCGKSA-N 0 0 309.391 0.546 10 0 DCAERN c1c(C2CC2)[nH]nc1N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000548634363 288161236 /nfs/dbraw/zinc/16/12/36/288161236.db2.gz XVSWCWXQZDGEME-UHFFFAOYSA-N 0 0 314.397 0.931 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cn2cccnc2n1 ZINC000548641542 288162753 /nfs/dbraw/zinc/16/27/53/288162753.db2.gz IJJRCEMEDRANKI-GFCCVEGCSA-N 0 0 301.350 0.812 10 0 DCAERN CCOC(=O)CN(CC)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000548715344 288169751 /nfs/dbraw/zinc/16/97/51/288169751.db2.gz MAFPVOIYKZNUFR-HNNXBMFYSA-N 0 0 310.350 0.011 10 0 DCAERN C[C@H](O)[C@H]1CCCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000548720684 288170575 /nfs/dbraw/zinc/17/05/75/288170575.db2.gz ICGAPPOKGCUJAH-XEZPLFJOSA-N 0 0 308.378 0.219 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000246260689 279940239 /nfs/dbraw/zinc/94/02/39/279940239.db2.gz OAXABPNANFAZMR-SQWLQELKSA-N 0 0 323.437 0.613 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328879387 280097407 /nfs/dbraw/zinc/09/74/07/280097407.db2.gz LIUDMDUPTYYOTK-AGIUHOORSA-N 0 0 308.382 0.776 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000126735361 280301483 /nfs/dbraw/zinc/30/14/83/280301483.db2.gz OLYNLDMABCUZIX-HNNXBMFYSA-N 0 0 311.341 0.997 10 0 DCAERN Cc1cc(CNC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)no1 ZINC000550835052 288220258 /nfs/dbraw/zinc/22/02/58/288220258.db2.gz GIDMRUZGDAGDBV-UHFFFAOYSA-N 0 0 317.349 0.729 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000329310499 280392024 /nfs/dbraw/zinc/39/20/24/280392024.db2.gz POKOSWVUTJUTHU-YNEHKIRRSA-N 0 0 318.439 0.540 10 0 DCAERN COc1cnc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nc1 ZINC000551900278 288242687 /nfs/dbraw/zinc/24/26/87/288242687.db2.gz GPPSKDWEVIYZCX-CQSZACIVSA-N 0 0 320.393 0.668 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(N)c2)CCS1(=O)=O ZINC000274500180 288242862 /nfs/dbraw/zinc/24/28/62/288242862.db2.gz SQXPVEJNIYDQIX-SECBINFHSA-N 0 0 304.393 0.076 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC000553434307 288298649 /nfs/dbraw/zinc/29/86/49/288298649.db2.gz VIHUJWRMMCYRJE-QJPTWQEYSA-N 0 0 303.428 0.708 10 0 DCAERN CC1(C)CN(C(=O)c2ccoc2CC(N)=O)C[C@@]2(CCOC2)O1 ZINC000375864840 281225779 /nfs/dbraw/zinc/22/57/79/281225779.db2.gz DGMSXBMUXJYAOK-MRXNPFEDSA-N 0 0 322.361 0.718 10 0 DCAERN CC1(C)CN(CCC(=O)N2CCCCC2)CCS1(=O)=O ZINC000155388405 281234608 /nfs/dbraw/zinc/23/46/08/281234608.db2.gz VEOFJZLFTMMZPS-UHFFFAOYSA-N 0 0 302.440 0.898 10 0 DCAERN Cn1cc(OCC(=O)NCCC(=O)Nc2ccccn2)cn1 ZINC000554565027 288329323 /nfs/dbraw/zinc/32/93/23/288329323.db2.gz UJAACFXNUSYXIQ-UHFFFAOYSA-N 0 0 303.322 0.339 10 0 DCAERN Cn1cc(OCC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cn1 ZINC000554568084 288329524 /nfs/dbraw/zinc/32/95/24/288329524.db2.gz XFQKHDOUWHPQEA-LBPRGKRZSA-N 0 0 321.299 0.961 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)COc2cnn(C)c2)ccn1 ZINC000554569612 288329534 /nfs/dbraw/zinc/32/95/34/288329534.db2.gz OHMRHGFSPIXLDK-UHFFFAOYSA-N 0 0 303.322 0.534 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1cccnc1 ZINC000555518272 288352956 /nfs/dbraw/zinc/35/29/56/288352956.db2.gz FBMCXVWALMTPAR-NWDGAFQWSA-N 0 0 321.377 0.587 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000011094704 281901349 /nfs/dbraw/zinc/90/13/49/281901349.db2.gz CKHNOLUDGQTNEC-ZDUSSCGKSA-N 0 0 323.437 0.960 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000558372625 288440813 /nfs/dbraw/zinc/44/08/13/288440813.db2.gz INSQKLQVWMCEBY-QJPTWQEYSA-N 0 0 306.366 0.067 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000559337499 288472492 /nfs/dbraw/zinc/47/24/92/288472492.db2.gz WKKHEKOQMKTSSZ-WZQADMAKSA-N 0 0 315.395 0.297 10 0 DCAERN CN(C)C(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067608705 288964182 /nfs/dbraw/zinc/96/41/82/288964182.db2.gz OBEHZTBHTNDTFD-ZDUSSCGKSA-N 0 0 320.393 0.073 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(F)F ZINC000408230422 288996033 /nfs/dbraw/zinc/99/60/33/288996033.db2.gz GHUHIQMGBUXETB-GMTAPVOTSA-N 0 0 322.377 0.219 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1(F)F ZINC000408112079 288998180 /nfs/dbraw/zinc/99/81/80/288998180.db2.gz JWUYYWZTCAHYEZ-IWXVTITISA-N 0 0 301.293 0.525 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000368940064 289815677 /nfs/dbraw/zinc/81/56/77/289815677.db2.gz UMARJTGQIPZUPX-SNPRPXQTSA-N 0 0 304.346 0.178 10 0 DCAERN C[C@H]1C(=O)NCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408080035 290311853 /nfs/dbraw/zinc/31/18/53/290311853.db2.gz JPKQLOLEZXRYJZ-GVMDUPDNSA-N 0 0 305.422 0.892 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)C[C@@H](C)O1 ZINC000408303265 292916389 /nfs/dbraw/zinc/91/63/89/292916389.db2.gz NLVOJKCDZFHTQY-ADEWGFFLSA-N 0 0 302.396 0.170 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187476702 293501650 /nfs/dbraw/zinc/50/16/50/293501650.db2.gz FFFWZHDOORUWIX-KOLCDFICSA-N 0 0 306.370 0.294 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)[C@@H](C)CO1 ZINC000408237667 297043039 /nfs/dbraw/zinc/04/30/39/297043039.db2.gz RGQLOCXRBNHCNH-WDEREUQCSA-N 0 0 321.443 0.187 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCOC[C@H]2C)cc1S(N)(=O)=O ZINC000312725122 294032777 /nfs/dbraw/zinc/03/27/77/294032777.db2.gz GXEVWAXFWDRXPN-VXNVDRBHSA-N 0 0 302.352 0.390 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)[C@H]2Cc3ccccc3O2)cn1 ZINC000181331381 294300879 /nfs/dbraw/zinc/30/08/79/294300879.db2.gz OEKZRRDIHUJUPT-GDBMZVCRSA-N 0 0 312.373 0.897 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)cc21 ZINC000185494048 294645772 /nfs/dbraw/zinc/64/57/72/294645772.db2.gz PBNNTEWBGRPMGU-AAEUAGOBSA-N 0 0 313.361 0.852 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000180265581 295119766 /nfs/dbraw/zinc/11/97/66/295119766.db2.gz HGNDDCUNWZGTKA-JTQLQIEISA-N 0 0 304.680 0.945 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc2ccccc2c1O ZINC000180273203 295120595 /nfs/dbraw/zinc/12/05/95/295120595.db2.gz JNGIQRWADSGXNW-ZDUSSCGKSA-N 0 0 300.314 0.872 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)N3CCSCC3)C2)n[nH]1 ZINC000286510137 295173651 /nfs/dbraw/zinc/17/36/51/295173651.db2.gz RURFELWAUTUJFY-JTQLQIEISA-N 0 0 323.422 0.857 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CCO[C@@]2(CCOC2)C1 ZINC000302221990 295344302 /nfs/dbraw/zinc/34/43/02/295344302.db2.gz OHXDBNTWVGKZNE-AWEZNQCLSA-N 0 0 302.338 0.240 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCCC1 ZINC000408188321 295475038 /nfs/dbraw/zinc/47/50/38/295475038.db2.gz SIPAVYFYJOCAIP-QJPTWQEYSA-N 0 0 301.408 0.573 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329054966 297266725 /nfs/dbraw/zinc/26/67/25/297266725.db2.gz HXAHPFQZZJLBLA-MGPQQGTHSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000408332977 297560033 /nfs/dbraw/zinc/56/00/33/297560033.db2.gz YGPRVAURWNHCLZ-AVGNSLFASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000128108948 300035804 /nfs/dbraw/zinc/03/58/04/300035804.db2.gz WBCKRIBBCDAFKG-VHSXEESVSA-N 0 0 322.390 0.837 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397895 300213277 /nfs/dbraw/zinc/21/32/77/300213277.db2.gz ZREHBTUEIYLSLQ-WDEREUQCSA-N 0 0 305.444 0.113 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)C[C@H](C)O1 ZINC000173963094 300285142 /nfs/dbraw/zinc/28/51/42/300285142.db2.gz RGBPGGCLUVWXHT-IUCAKERBSA-N 0 0 324.353 0.722 10 0 DCAERN C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408098083 300348281 /nfs/dbraw/zinc/34/82/81/300348281.db2.gz DCWDBKNSUAFWOT-JTQLQIEISA-N 0 0 315.395 0.136 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332885546 300381168 /nfs/dbraw/zinc/38/11/68/300381168.db2.gz GBBCBMVXSOSNLH-OHBODLIOSA-N 0 0 302.396 0.286 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2CSc3ccccc32)[C@@H]1C(N)=O ZINC000285674765 300593803 /nfs/dbraw/zinc/59/38/03/300593803.db2.gz YQCFYVINFHKINR-XWIASGKRSA-N 0 0 306.387 0.977 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000179688264 301601042 /nfs/dbraw/zinc/60/10/42/301601042.db2.gz DMJQIMCZZZEMFM-JTQLQIEISA-N 0 0 318.782 0.523 10 0 DCAERN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000368119410 302212287 /nfs/dbraw/zinc/21/22/87/302212287.db2.gz KOPKLQLLDFYWJE-RISCZKNCSA-N 0 0 301.346 0.131 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)[C@@H](C)N2CCOCC2)n1 ZINC000329027839 302853282 /nfs/dbraw/zinc/85/32/82/302853282.db2.gz WBWZHBKDTIAZET-WZRBSPASSA-N 0 0 324.381 0.387 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000056968694 302879062 /nfs/dbraw/zinc/87/90/62/302879062.db2.gz PUWJPTQPMCWYRK-LLVKDONJSA-N 0 0 311.407 0.606 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1Cl ZINC000129396546 303307212 /nfs/dbraw/zinc/30/72/12/303307212.db2.gz QWOFYNFIVSNDGZ-QMMMGPOBSA-N 0 0 304.133 0.715 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1c(Cl)nc2ccccn21 ZINC000091778593 303307280 /nfs/dbraw/zinc/30/72/80/303307280.db2.gz DQNXBUVRLYPNTA-QMMMGPOBSA-N 0 0 308.725 0.314 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000285628113 303338001 /nfs/dbraw/zinc/33/80/01/303338001.db2.gz SQZDRSCTBCJHID-JLSDUUJJSA-N 0 0 314.385 0.729 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)CCOCC)C1 ZINC000171110900 332856824 /nfs/dbraw/zinc/85/68/24/332856824.db2.gz SYRAQUVEDAQDJG-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCCCN1CCOCC1 ZINC000170685621 332866254 /nfs/dbraw/zinc/86/62/54/332866254.db2.gz NOZOJHQNUFGDDA-KBPBESRZSA-N 0 0 311.426 0.601 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000332776372 332868887 /nfs/dbraw/zinc/86/88/87/332868887.db2.gz LGHKJBGXZFBVKC-VXGBXAGGSA-N 0 0 303.366 0.459 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332916064 332906090 /nfs/dbraw/zinc/90/60/90/332906090.db2.gz XJPBZKPCAIBSAZ-JHJVBQTASA-N 0 0 316.423 0.342 10 0 DCAERN CCn1c(-c2cnn(C)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000570945204 333006657 /nfs/dbraw/zinc/00/66/57/333006657.db2.gz AITDFCKTTGQLSB-ZDUSSCGKSA-N 0 0 317.397 0.219 10 0 DCAERN C[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C1(C(=O)[O-])CCCC1 ZINC000583036205 337232259 /nfs/dbraw/zinc/23/22/59/337232259.db2.gz CORYXDWYVFTLDC-LLVKDONJSA-N 0 0 304.412 0.597 10 0 DCAERN NC(=O)c1cc(-c2cnn([C@@H]3CCS(=O)(=O)C3)c2)ccc1O ZINC000584592783 337373541 /nfs/dbraw/zinc/37/35/41/337373541.db2.gz VRSDUVBMJAEGLV-LLVKDONJSA-N 0 0 321.358 0.714 10 0 DCAERN NC(=O)c1cc(-c2cnn([C@H]3CCS(=O)(=O)C3)c2)ccc1O ZINC000584592784 337373605 /nfs/dbraw/zinc/37/36/05/337373605.db2.gz VRSDUVBMJAEGLV-NSHDSACASA-N 0 0 321.358 0.714 10 0 DCAERN CC1(C)C(=O)OC[C@H]1N1CCN(C(=O)c2nccs2)CC1 ZINC000584622856 337375059 /nfs/dbraw/zinc/37/50/59/337375059.db2.gz VKZBROWPAIUTGD-SNVBAGLBSA-N 0 0 309.391 0.853 10 0 DCAERN COc1cc(Cn2nnc3c[nH]nc3c2=O)cc(OC)c1OC ZINC000584660492 337378252 /nfs/dbraw/zinc/37/82/52/337378252.db2.gz LXMUODYNCPZPCD-UHFFFAOYSA-N 0 0 317.305 0.589 10 0 DCAERN Cc1ccc(-c2cnc(N)c(C(=O)NC(CO)CO)n2)cc1 ZINC000584662246 337378443 /nfs/dbraw/zinc/37/84/43/337378443.db2.gz VERXPRYUALLFRV-UHFFFAOYSA-N 0 0 302.334 0.117 10 0 DCAERN CCNS(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000172457719 341799090 /nfs/dbraw/zinc/79/90/90/341799090.db2.gz VEXUCWRANIKFNC-SNVBAGLBSA-N 0 0 317.415 0.165 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCSC[C@H]1CO ZINC000577573582 341919250 /nfs/dbraw/zinc/91/92/50/341919250.db2.gz MCFOUCOIRCEZCT-LLVKDONJSA-N 0 0 320.374 0.209 10 0 DCAERN NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000577872368 341945347 /nfs/dbraw/zinc/94/53/47/341945347.db2.gz GYAMFGOVQIQLLV-VIFPVBQESA-N 0 0 305.306 0.270 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)CCNS(C)(=O)=O ZINC000178914627 341971213 /nfs/dbraw/zinc/97/12/13/341971213.db2.gz CKJGYWFXUPYGLG-UHFFFAOYSA-N 0 0 319.452 0.862 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)O1 ZINC000157513087 534133712 /nfs/dbraw/zinc/13/37/12/534133712.db2.gz GYAOIBRZOXBSGY-UTUOFQBUSA-N 0 0 306.366 0.599 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccccc1F ZINC000155770487 534214300 /nfs/dbraw/zinc/21/43/00/534214300.db2.gz FXYGJVCLPSUFEY-ZJUUUORDSA-N 0 0 307.325 0.877 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175918658 517443735 /nfs/dbraw/zinc/44/37/35/517443735.db2.gz WIEKBVOIBYEOFS-NSHDSACASA-N 0 0 311.304 0.610 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1CO ZINC000188864551 534344364 /nfs/dbraw/zinc/34/43/64/534344364.db2.gz BQEBPSSRVKARPM-UTLUCORTSA-N 0 0 323.315 0.419 10 0 DCAERN CC(C)C[C@@H](CNC(=O)N1CC[C@H](CO)C1)N1CCOCC1 ZINC000119147595 519208818 /nfs/dbraw/zinc/20/88/18/519208818.db2.gz JEQPEMCLMBOGRH-GJZGRUSLSA-N 0 0 313.442 0.757 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000153194619 534422722 /nfs/dbraw/zinc/42/27/22/534422722.db2.gz VODRHVIHGYIACD-RAIGVLPGSA-N 0 0 322.409 0.483 10 0 DCAERN CC(=O)N1CC(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000187917712 519492324 /nfs/dbraw/zinc/49/23/24/519492324.db2.gz GKEBDQJRSIAJSN-UHFFFAOYSA-N 0 0 313.361 0.609 10 0 DCAERN Cc1ccoc1C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000275763953 534434752 /nfs/dbraw/zinc/43/47/52/534434752.db2.gz RRMFZFOTTBXFLS-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000189739550 519648243 /nfs/dbraw/zinc/64/82/43/519648243.db2.gz JCDOBDMMTIOXLL-UHFFFAOYSA-N 0 0 313.361 0.902 10 0 DCAERN CC(=O)NC1CN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000191729865 519649400 /nfs/dbraw/zinc/64/94/00/519649400.db2.gz ZKEOVPDZKKLAIV-OAHLLOKOSA-N 0 0 316.405 0.834 10 0 DCAERN CC(=O)NCCCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000366168736 519657901 /nfs/dbraw/zinc/65/79/01/519657901.db2.gz DHRBBTIMWDAKCK-UHFFFAOYSA-N 0 0 319.361 0.593 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1=O ZINC000267535753 519694207 /nfs/dbraw/zinc/69/42/07/519694207.db2.gz BEOOGHMNFLGSTR-OCCSQVGLSA-N 0 0 319.409 0.928 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCc1nnc2n1CCCCC2 ZINC000153184115 519823434 /nfs/dbraw/zinc/82/34/34/519823434.db2.gz QKDUWMVKCFEMSO-GFCCVEGCSA-N 0 0 309.414 0.863 10 0 DCAERN CCCNC(=O)c1ccc(N2CCN3CCOC[C@H]3C2)nc1 ZINC000364884540 519898535 /nfs/dbraw/zinc/89/85/35/519898535.db2.gz QWKZREWSNIFTGG-CQSZACIVSA-N 0 0 304.394 0.742 10 0 DCAERN CCOCCOCCN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000190254224 519994274 /nfs/dbraw/zinc/99/42/74/519994274.db2.gz YSJMAZXAKRZMIX-CQSZACIVSA-N 0 0 324.425 0.927 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189158943 520359727 /nfs/dbraw/zinc/35/97/27/520359727.db2.gz WWWXVVNRFLRIAM-KBUPBQIOSA-N 0 0 324.421 0.822 10 0 DCAERN CC1(C)CN(C(=O)CCCS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000366524120 520424294 /nfs/dbraw/zinc/42/42/94/520424294.db2.gz VHNCYBIGCQQJGO-CQSZACIVSA-N 0 0 319.423 0.608 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000189696704 520431795 /nfs/dbraw/zinc/43/17/95/520431795.db2.gz PJPLZETXGHNRFD-GFCCVEGCSA-N 0 0 303.362 0.682 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1noc(C)n1 ZINC000118645212 520524184 /nfs/dbraw/zinc/52/41/84/520524184.db2.gz BJTNTRYWITWXAN-SNVBAGLBSA-N 0 0 316.383 0.198 10 0 DCAERN CC1(CNC(=O)Cn2c(=O)cnc3ccccc32)OCCCO1 ZINC000191114013 520709814 /nfs/dbraw/zinc/70/98/14/520709814.db2.gz NUNNXPSEGNRJSR-UHFFFAOYSA-N 0 0 317.345 0.666 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)c1cnc2c(c1)nnn2C ZINC000185227065 520714322 /nfs/dbraw/zinc/71/43/22/520714322.db2.gz JUXYNGCEYYDHEG-VIFPVBQESA-N 0 0 305.338 0.825 10 0 DCAERN CCN(CC)c1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000181026474 520887764 /nfs/dbraw/zinc/88/77/64/520887764.db2.gz GKUVMJMTPAHWTN-AWEZNQCLSA-N 0 0 305.378 0.859 10 0 DCAERN CCN1CCCN(CC(=O)NCc2ccc(OC)cc2)CC1=O ZINC000190210770 521613284 /nfs/dbraw/zinc/61/32/84/521613284.db2.gz CSMCZPQUYKYGPH-UHFFFAOYSA-N 0 0 319.405 0.866 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000246793492 521657809 /nfs/dbraw/zinc/65/78/09/521657809.db2.gz QPHOHZBODLLGGK-CLLJXQQHSA-N 0 0 320.455 0.978 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCC2(OC)CCC2)cc1 ZINC000180397584 521858825 /nfs/dbraw/zinc/85/88/25/521858825.db2.gz VILNWFOSQVMKBO-UHFFFAOYSA-N 0 0 312.391 0.894 10 0 DCAERN CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119385394 521880150 /nfs/dbraw/zinc/88/01/50/521880150.db2.gz BCWPQPPBJBYAFJ-GWCFXTLKSA-N 0 0 314.407 0.732 10 0 DCAERN CNS(=O)(=O)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000189011665 522191262 /nfs/dbraw/zinc/19/12/62/522191262.db2.gz YKPHIMPFGIWAJW-UHFFFAOYSA-N 0 0 320.361 0.953 10 0 DCAERN CN[C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)c1cnn(C)c1 ZINC000262572154 522318140 /nfs/dbraw/zinc/31/81/40/522318140.db2.gz SMNUCAGXACFUSH-ZIAGYGMSSA-N 0 0 306.341 0.670 10 0 DCAERN CN(C)c1noc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1 ZINC000188231689 522390288 /nfs/dbraw/zinc/39/02/88/522390288.db2.gz IQPZXNNVRHOYJI-UHFFFAOYSA-N 0 0 323.378 0.346 10 0 DCAERN CN[C@H](C(=O)NC[C@H](O)c1ccc(C)cc1)c1cnn(C)c1 ZINC000262061122 522434603 /nfs/dbraw/zinc/43/46/03/522434603.db2.gz INIRXUXZFGAGSV-GJZGRUSLSA-N 0 0 302.378 0.839 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000131456942 522553022 /nfs/dbraw/zinc/55/30/22/522553022.db2.gz IQUIXCXSSBKTLO-OCCSQVGLSA-N 0 0 323.393 0.313 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000153397146 522661703 /nfs/dbraw/zinc/66/17/03/522661703.db2.gz HKPIENQIHSQCGI-QMMMGPOBSA-N 0 0 319.814 0.895 10 0 DCAERN COC[C@H](N[C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546785 522764460 /nfs/dbraw/zinc/76/44/60/522764460.db2.gz OIVZFVCNXXKQOZ-YPMHNXCESA-N 0 0 323.393 0.682 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000158228933 522780424 /nfs/dbraw/zinc/78/04/24/522780424.db2.gz HQXWMMKUWRQBCI-UHFFFAOYSA-N 0 0 317.345 0.712 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000176974382 523260188 /nfs/dbraw/zinc/26/01/88/523260188.db2.gz WIHRBZDNXVJLKB-NEPJUHHUSA-N 0 0 306.366 0.761 10 0 DCAERN COC(=O)C[C@H]1CN(Cc2nsc(N(C)C)n2)CCO1 ZINC000154643199 523353229 /nfs/dbraw/zinc/35/32/29/523353229.db2.gz LBOIYLTXLHRXIO-VIFPVBQESA-N 0 0 300.384 0.368 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](OC)C2)ccc1=O ZINC000191301567 523405431 /nfs/dbraw/zinc/40/54/31/523405431.db2.gz YFRNXCWYGXETPE-YPMHNXCESA-N 0 0 321.377 0.690 10 0 DCAERN COc1ccc(Br)cc1CC(=O)NC(CO)CO ZINC000119590337 523494328 /nfs/dbraw/zinc/49/43/28/523494328.db2.gz NJGDPMGHWBFMHA-UHFFFAOYSA-N 0 0 318.167 0.470 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)o1 ZINC000152488430 523780896 /nfs/dbraw/zinc/78/08/96/523780896.db2.gz QUGJZCLORUDRSX-NSHDSACASA-N 0 0 308.334 0.654 10 0 DCAERN CN(C(=O)C1=COCCO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122281233 523787666 /nfs/dbraw/zinc/78/76/66/523787666.db2.gz PIKGBHCYGGKNGI-GFCCVEGCSA-N 0 0 304.350 0.792 10 0 DCAERN CCc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)c(O)c1 ZINC000189404330 523891476 /nfs/dbraw/zinc/89/14/76/523891476.db2.gz MOZDEFLLIAMZHS-CYBMUJFWSA-N 0 0 308.378 0.378 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H](O)Cc2ccccc2)CCC1=O ZINC000128686733 524011118 /nfs/dbraw/zinc/01/11/18/524011118.db2.gz STIWBYWZPIDFSA-UONOGXRCSA-N 0 0 305.378 0.510 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@@H]2C[C@@H](C)O)cc1 ZINC000156831039 524050838 /nfs/dbraw/zinc/05/08/38/524050838.db2.gz FXPQCCLCCLLYLX-HIFRSBDPSA-N 0 0 322.405 0.783 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000186142251 524052688 /nfs/dbraw/zinc/05/26/88/524052688.db2.gz OJWSLECTAUSDBA-UHFFFAOYSA-N 0 0 317.267 0.841 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190749519 524080548 /nfs/dbraw/zinc/08/05/48/524080548.db2.gz WSNOLWHWWNCPBS-VIFPVBQESA-N 0 0 318.370 0.837 10 0 DCAERN C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCc2ccccc2C1 ZINC000111587834 524199371 /nfs/dbraw/zinc/19/93/71/524199371.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 0 0 317.433 0.880 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000246094775 524240104 /nfs/dbraw/zinc/24/01/04/524240104.db2.gz AICWCJVBJYTHGG-OCCSQVGLSA-N 0 0 317.455 0.416 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@@H](n2cncn2)C1 ZINC000246994984 524285182 /nfs/dbraw/zinc/28/51/82/524285182.db2.gz BEIQXDZCGYTNBN-NWDGAFQWSA-N 0 0 301.354 0.732 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247400167 524354535 /nfs/dbraw/zinc/35/45/35/524354535.db2.gz RGYLSNRJZQPDBS-UPJWGTAASA-N 0 0 312.414 0.050 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCN1CCO ZINC000249786325 524540704 /nfs/dbraw/zinc/54/07/04/524540704.db2.gz DNFMGKLJFBGEBU-WHEQGISXSA-N 0 0 324.446 0.704 10 0 DCAERN C[C@H]1CN(C(=O)c2csc(NC3CC3)n2)CCS1(=O)=O ZINC000269274135 524550468 /nfs/dbraw/zinc/55/04/68/524550468.db2.gz OHDYXEBSYRJJQR-QMMMGPOBSA-N 0 0 315.420 0.977 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000246738274 524553448 /nfs/dbraw/zinc/55/34/48/524553448.db2.gz MSINXOZRVAAVKT-RRFJBIMHSA-N 0 0 308.426 0.974 10 0 DCAERN C[C@@H](CNC(=O)c1cnn2c1CCCC2)CN1CCOCC1 ZINC000127516673 524729112 /nfs/dbraw/zinc/72/91/12/524729112.db2.gz IJVBXMMGHPHDSC-ZDUSSCGKSA-N 0 0 306.410 0.918 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000158824633 524811919 /nfs/dbraw/zinc/81/19/19/524811919.db2.gz KZSQOGALZQVKQU-VHSXEESVSA-N 0 0 301.364 0.753 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000176875700 524829070 /nfs/dbraw/zinc/82/90/70/524829070.db2.gz WWZANIQFXICJMS-NSHDSACASA-N 0 0 313.423 0.807 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@H](C(N)=O)O1 ZINC000157449190 524858994 /nfs/dbraw/zinc/85/89/94/524858994.db2.gz ZGAXPSDRFIQCKI-HTRCEHHLSA-N 0 0 317.139 0.757 10 0 DCAERN C[C@H](NC(=O)N1CC(CO)C1)c1ccc(-n2cncn2)cc1 ZINC000190533981 525010699 /nfs/dbraw/zinc/01/06/99/525010699.db2.gz USRBRYHAJJAIBS-NSHDSACASA-N 0 0 301.350 0.962 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155635773 525150908 /nfs/dbraw/zinc/15/09/08/525150908.db2.gz QFAVJLXRJYLHHI-CYBMUJFWSA-N 0 0 310.419 0.730 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC1CC1 ZINC000124681577 525395014 /nfs/dbraw/zinc/39/50/14/525395014.db2.gz QYNDLIHNRUUHPT-SNVBAGLBSA-N 0 0 321.402 0.982 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)[C@@H]2CCOC2)c1C ZINC000127343542 525427330 /nfs/dbraw/zinc/42/73/30/525427330.db2.gz JUFVEMDODCEUGA-LLVKDONJSA-N 0 0 312.391 0.812 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCS(=O)(=O)[C@H](C)C3)nc12 ZINC000155499003 525459321 /nfs/dbraw/zinc/45/93/21/525459321.db2.gz RVNZLLUMSGLTMH-GFCCVEGCSA-N 0 0 321.402 0.622 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(NC(C)=O)C1)CO2 ZINC000190527607 525541183 /nfs/dbraw/zinc/54/11/83/525541183.db2.gz LWLHTOMZQCWVJX-GFCCVEGCSA-N 0 0 304.346 0.593 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(n2ccnn2)C1 ZINC000364723699 525635468 /nfs/dbraw/zinc/63/54/68/525635468.db2.gz UKQDLXBNLYKSPO-UHFFFAOYSA-N 0 0 320.374 0.687 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000249530583 525907157 /nfs/dbraw/zinc/90/71/57/525907157.db2.gz AVYODBNYKBVHID-RDBSUJKOSA-N 0 0 300.399 0.096 10 0 DCAERN COc1cccc(CNC(=O)CNC(=O)c2cccnc2)n1 ZINC000157259623 525972389 /nfs/dbraw/zinc/97/23/89/525972389.db2.gz NQFKZJXMQCRDEW-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN C[C@H](c1nnnn1C)N1CCC(N(C)c2cccnn2)CC1 ZINC000189139551 526191059 /nfs/dbraw/zinc/19/10/59/526191059.db2.gz NAQLFHJBXKVKSJ-LLVKDONJSA-N 0 0 302.386 0.662 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000188924171 526203434 /nfs/dbraw/zinc/20/34/34/526203434.db2.gz AFUHFHXKPOHTOG-YPMHNXCESA-N 0 0 307.394 0.372 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)N[C@H]1CCC(=O)NC1=O ZINC000156189213 526211668 /nfs/dbraw/zinc/21/16/68/526211668.db2.gz TYXRUDPQGBXYTQ-SCZZXKLOSA-N 0 0 305.338 0.781 10 0 DCAERN CSc1nsc(NC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000120251408 526233584 /nfs/dbraw/zinc/23/35/84/526233584.db2.gz SYWURTLLFVEOBY-LURJTMIESA-N 0 0 311.396 0.988 10 0 DCAERN COc1cccc(O[C@@H](C)CNC(=O)N2CCO[C@H](CO)C2)c1 ZINC000267531681 526237618 /nfs/dbraw/zinc/23/76/18/526237618.db2.gz AGIPAGLGLWUMDH-WFASDCNBSA-N 0 0 324.377 0.865 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cccnc1 ZINC000132565409 526241253 /nfs/dbraw/zinc/24/12/53/526241253.db2.gz WANPBBDETDHMQS-LBPRGKRZSA-N 0 0 304.394 0.639 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000158699587 526262359 /nfs/dbraw/zinc/26/23/59/526262359.db2.gz BDUYMHPDOKRPFO-ZDUSSCGKSA-N 0 0 305.382 0.644 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC[C@H](C)S(=O)(=O)CC2)c1 ZINC000190442873 526262569 /nfs/dbraw/zinc/26/25/69/526262569.db2.gz JGBGXFQZAGIMNO-LBPRGKRZSA-N 0 0 314.411 0.410 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)c1 ZINC000163825922 526266273 /nfs/dbraw/zinc/26/62/73/526266273.db2.gz BCAOKWZUXOAHDE-OLZOCXBDSA-N 0 0 305.382 0.769 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000177540919 526298314 /nfs/dbraw/zinc/29/83/14/526298314.db2.gz UOYBSKCIKSUWDQ-QJPTWQEYSA-N 0 0 324.425 0.729 10 0 DCAERN CC(=O)CSCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000192604325 526444581 /nfs/dbraw/zinc/44/45/81/526444581.db2.gz LMQQYUCLBVNLDG-LBPRGKRZSA-N 0 0 310.423 0.827 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc2ccccn2c1 ZINC000128051634 526484100 /nfs/dbraw/zinc/48/41/00/526484100.db2.gz HLWGRDMMJRNXMT-OAHLLOKOSA-N 0 0 303.362 0.362 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCO[C@H](C)C1 ZINC000330778986 526484199 /nfs/dbraw/zinc/48/41/99/526484199.db2.gz LYHMFVHYOUYJTB-LLVKDONJSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1CCN(C)C(=O)C1 ZINC000331310126 526484299 /nfs/dbraw/zinc/48/42/99/526484299.db2.gz YQVAUVGGZWVKHY-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000187888557 526529589 /nfs/dbraw/zinc/52/95/89/526529589.db2.gz MFWJGPMHIXUMOK-WFASDCNBSA-N 0 0 312.410 0.633 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@H]2c2nncn2C)n1 ZINC000119963246 526623740 /nfs/dbraw/zinc/62/37/40/526623740.db2.gz ZXFNGQSWEOOGTA-JTQLQIEISA-N 0 0 306.326 0.387 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000331965865 526679021 /nfs/dbraw/zinc/67/90/21/526679021.db2.gz VTAFRDXNPCIGIB-NWDGAFQWSA-N 0 0 300.424 0.821 10 0 DCAERN Cc1nc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC000155671713 526739934 /nfs/dbraw/zinc/73/99/34/526739934.db2.gz LWNQZCFQTXYFPU-APPZFPTMSA-N 0 0 310.379 0.877 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCO[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000135359913 526760399 /nfs/dbraw/zinc/76/03/99/526760399.db2.gz NMMRYKWMKHXQBG-WCBMZHEXSA-N 0 0 316.379 0.746 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000364829500 526792143 /nfs/dbraw/zinc/79/21/43/526792143.db2.gz KQGMIIJLHPBQMH-LBPRGKRZSA-N 0 0 308.309 0.624 10 0 DCAERN O=C(CN1CSCC1=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127022650 526816137 /nfs/dbraw/zinc/81/61/37/526816137.db2.gz LVYHEWDDYLFVAL-NSHDSACASA-N 0 0 309.395 0.050 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N(C[C@@H]1CCOC1)C1CC1 ZINC000164449693 526866583 /nfs/dbraw/zinc/86/65/83/526866583.db2.gz OMSLPVDSXDEMTR-LBPRGKRZSA-N 0 0 303.362 0.839 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000191473620 526922993 /nfs/dbraw/zinc/92/29/93/526922993.db2.gz JDFJDFLYBAHDCB-CQSZACIVSA-N 0 0 321.352 0.968 10 0 DCAERN O=C1CCC(=O)N1CCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159295168 526962485 /nfs/dbraw/zinc/96/24/85/526962485.db2.gz OALQJLONTYFWIG-STQMWFEESA-N 0 0 322.361 0.553 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@@H](c3ccco3)C2)C1 ZINC000246321480 526963593 /nfs/dbraw/zinc/96/35/93/526963593.db2.gz CRIFFBNEGPUTEO-TZMCWYRMSA-N 0 0 321.377 0.377 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000154339800 526973738 /nfs/dbraw/zinc/97/37/38/526973738.db2.gz PCACTOKJSZTILP-AAEUAGOBSA-N 0 0 321.381 0.332 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000127458325 527075288 /nfs/dbraw/zinc/07/52/88/527075288.db2.gz FVUAQULHJWHTHU-GFCCVEGCSA-N 0 0 313.361 0.929 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000131030318 527098283 /nfs/dbraw/zinc/09/82/83/527098283.db2.gz AZROFESRMXEBPE-CABZTGNLSA-N 0 0 317.349 0.109 10 0 DCAERN Cc1nc2cc(NC(=O)N3CCO[C@@H](C(N)=O)C3)ccc2o1 ZINC000157953889 527127129 /nfs/dbraw/zinc/12/71/29/527127129.db2.gz IBWWPLDHHUBJPO-GFCCVEGCSA-N 0 0 304.306 0.854 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000163938848 527197097 /nfs/dbraw/zinc/19/70/97/527197097.db2.gz DDVHGXQQJDNCQZ-SNVBAGLBSA-N 0 0 315.337 0.217 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CN3CCCCC3=O)C2)cn1 ZINC000154453552 527241766 /nfs/dbraw/zinc/24/17/66/527241766.db2.gz KUUXFDBWIFYVEP-CYBMUJFWSA-N 0 0 319.409 0.518 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N1CCC[C@H]1CO ZINC000189923101 527275749 /nfs/dbraw/zinc/27/57/49/527275749.db2.gz YMEMFUVBTREKHN-ZDUSSCGKSA-N 0 0 304.346 0.933 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2C2CC2)cc1 ZINC000190000247 527313735 /nfs/dbraw/zinc/31/37/35/527313735.db2.gz SVJVWEMANKXHBY-UHFFFAOYSA-N 0 0 320.374 0.865 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(NCCn2ccnn2)c1 ZINC000302139444 527336763 /nfs/dbraw/zinc/33/67/63/527336763.db2.gz FAYIVAWGBIWVNQ-UHFFFAOYSA-N 0 0 308.363 0.996 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000187721203 527396242 /nfs/dbraw/zinc/39/62/42/527396242.db2.gz BUCSRWLFBOBZML-ZDUSSCGKSA-N 0 0 319.405 0.826 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)c(F)c2)C1)C1CC1 ZINC000187929705 527543415 /nfs/dbraw/zinc/54/34/15/527543415.db2.gz XVZVFMLGFKGLRJ-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN CCOC(=O)[C@@H](C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000175189194 527717792 /nfs/dbraw/zinc/71/77/92/527717792.db2.gz IYGXQWOXNXDXGV-NSHDSACASA-N 0 0 317.345 0.712 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)NC)C1 ZINC000171488642 527890030 /nfs/dbraw/zinc/89/00/30/527890030.db2.gz OJXDAACBUXFIJF-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN CC1(C)c2ccc(C(=O)N3CC[C@H](NC(N)=O)C3)cc2NC1=O ZINC000294743593 527897276 /nfs/dbraw/zinc/89/72/76/527897276.db2.gz YNUIVNQLXRFXAM-JTQLQIEISA-N 0 0 316.361 0.799 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](C)[C@H](OC)C2)C1 ZINC000187650264 528147803 /nfs/dbraw/zinc/14/78/03/528147803.db2.gz MXENBXLMJGUGGD-RWMBFGLXSA-N 0 0 312.414 0.857 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188746947 528239081 /nfs/dbraw/zinc/23/90/81/528239081.db2.gz BKFIUXHQMANKIG-CYBMUJFWSA-N 0 0 320.455 0.116 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)C2)C1 ZINC000133380936 528427433 /nfs/dbraw/zinc/42/74/33/528427433.db2.gz ZIAVLNXIKRLCME-KGLIPLIRSA-N 0 0 324.425 0.555 10 0 DCAERN CCCCOC[C@H](O)Cn1nc(C(N)=O)c2ccccc2c1=O ZINC000193369330 528627623 /nfs/dbraw/zinc/62/76/23/528627623.db2.gz NGVRTRBDGSACDQ-LLVKDONJSA-N 0 0 319.361 0.673 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1CCCC[C@@H]1C ZINC000176564932 528702991 /nfs/dbraw/zinc/70/29/91/528702991.db2.gz GJZMWFZVESHZDQ-WIUDPPPLSA-N 0 0 313.427 0.904 10 0 DCAERN CCOc1ccccc1CCC(=O)NCCS(=O)(=O)NC ZINC000188954062 528716083 /nfs/dbraw/zinc/71/60/83/528716083.db2.gz MCWPONMJQIYFMB-UHFFFAOYSA-N 0 0 314.407 0.683 10 0 DCAERN CCC1(CC)CN(C(=O)CN2CSCC2=O)CC[S@@]1=O ZINC000186706694 529064804 /nfs/dbraw/zinc/06/48/04/529064804.db2.gz QKLJSIWVDNXTKS-HXUWFJFHSA-N 0 0 318.464 0.669 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCOC(C)C)CC12COC2 ZINC000454780824 535668318 /nfs/dbraw/zinc/66/83/18/535668318.db2.gz CCAARGDIJSHIBO-GFCCVEGCSA-N 0 0 314.382 0.633 10 0 DCAERN CN(C)S(=O)(=O)CCC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000456079198 536071720 /nfs/dbraw/zinc/07/17/20/536071720.db2.gz INJYEUAUFSIDJX-OSFYFWSMSA-N 0 0 312.435 0.939 10 0 DCAERN CCc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000457779013 536183271 /nfs/dbraw/zinc/18/32/71/536183271.db2.gz QSUFWPWMIIQMJJ-JTQLQIEISA-N 0 0 309.395 0.762 10 0 DCAERN COCc1nsc(N2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000489913603 536831840 /nfs/dbraw/zinc/83/18/40/536831840.db2.gz OOWZMIXNYCXZLX-UHFFFAOYSA-N 0 0 314.411 0.758 10 0 DCAERN O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)COCc1ccco1 ZINC000071814174 545662778 /nfs/dbraw/zinc/66/27/78/545662778.db2.gz WCCQGDJVTPPNGG-AAEUAGOBSA-N 0 0 308.334 0.974 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000120636730 545746044 /nfs/dbraw/zinc/74/60/44/545746044.db2.gz XLVLFGPTAMBBRD-UHFFFAOYSA-N 0 0 315.373 0.804 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000122039708 545751171 /nfs/dbraw/zinc/75/11/71/545751171.db2.gz SPQYNVUERDJXIM-FRRDWIJNSA-N 0 0 321.381 0.182 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000123295459 545753792 /nfs/dbraw/zinc/75/37/92/545753792.db2.gz VFCFGACMZXIFJK-KBPBESRZSA-N 0 0 320.455 0.274 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000123070777 545753839 /nfs/dbraw/zinc/75/38/39/545753839.db2.gz JABMCYKHJXEUAW-NXEZZACHSA-N 0 0 317.329 0.884 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3nc(C)ccc3c2O)C1 ZINC000126191474 545768359 /nfs/dbraw/zinc/76/83/59/545768359.db2.gz XSUHOWZHVSWQEJ-UHFFFAOYSA-N 0 0 314.345 0.852 10 0 DCAERN COC1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCOCC1 ZINC000126526460 545770962 /nfs/dbraw/zinc/77/09/62/545770962.db2.gz MBUWTIWIJGSDDQ-AWEZNQCLSA-N 0 0 309.410 0.838 10 0 DCAERN O=C(CN1CCCN(Cc2cncnc2)CC1)N1CCCC1 ZINC000129268877 545782179 /nfs/dbraw/zinc/78/21/79/545782179.db2.gz GGTZJUKJQXAYFZ-UHFFFAOYSA-N 0 0 303.410 0.607 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000132027039 545792567 /nfs/dbraw/zinc/79/25/67/545792567.db2.gz RSPGURUCRPHXNG-GRYCIOLGSA-N 0 0 308.386 0.400 10 0 DCAERN CCOc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1C ZINC000132326005 545793221 /nfs/dbraw/zinc/79/32/21/545793221.db2.gz POYWLJRCSJRRAF-HNNXBMFYSA-N 0 0 322.405 0.817 10 0 DCAERN CCCC(O)(CCC)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132665337 545793966 /nfs/dbraw/zinc/79/39/66/545793966.db2.gz HDURGONDMNCHKE-CQSZACIVSA-N 0 0 316.442 0.517 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000154483157 545839738 /nfs/dbraw/zinc/83/97/38/545839738.db2.gz UICNILQLRDPTOH-ZDUSSCGKSA-N 0 0 321.352 0.524 10 0 DCAERN Cn1cnnc1[C@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000156596754 545848559 /nfs/dbraw/zinc/84/85/59/545848559.db2.gz IRDNEDHSLAHTEU-GFCCVEGCSA-N 0 0 313.365 0.462 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177968461 545894116 /nfs/dbraw/zinc/89/41/16/545894116.db2.gz HKDPXYZBLCDUST-JSGCOSHPSA-N 0 0 320.393 0.899 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000178126412 545894162 /nfs/dbraw/zinc/89/41/62/545894162.db2.gz DDJLANFVTCZORK-UHFFFAOYSA-N 0 0 319.390 0.752 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848263 545897245 /nfs/dbraw/zinc/89/72/45/545897245.db2.gz WHNQJZTXIIWGEI-GFCCVEGCSA-N 0 0 323.397 0.023 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NC[C@H]1CCCC[C@H]1O ZINC000182002603 545904613 /nfs/dbraw/zinc/90/46/13/545904613.db2.gz RDOOULIQKCBWAP-OUCADQQQSA-N 0 0 309.410 0.848 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCC1(CO)CCC1 ZINC000182307972 545905106 /nfs/dbraw/zinc/90/51/06/545905106.db2.gz YPBHJYDMOICULA-UHFFFAOYSA-N 0 0 301.346 0.675 10 0 DCAERN CC(C)[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)C(N)=O ZINC000186139830 545913354 /nfs/dbraw/zinc/91/33/54/545913354.db2.gz MCPZPGNWHZZTIU-JTQLQIEISA-N 0 0 303.326 0.294 10 0 DCAERN COCCN1CCN(C(=O)c2cn3ccnc3s2)CC1=O ZINC000188751108 545918342 /nfs/dbraw/zinc/91/83/42/545918342.db2.gz GCIIPVRHCJIDEZ-UHFFFAOYSA-N 0 0 308.363 0.327 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000193918512 545930856 /nfs/dbraw/zinc/93/08/56/545930856.db2.gz SDPYIDBTFCPRRK-RKDXNWHRSA-N 0 0 309.395 0.926 10 0 DCAERN Nc1nc(Br)n(CC(=O)NCc2ccccc2)n1 ZINC000231802939 545948913 /nfs/dbraw/zinc/94/89/13/545948913.db2.gz LPIUGAXPGJIZDX-UHFFFAOYSA-N 0 0 310.155 0.939 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246087696 545963230 /nfs/dbraw/zinc/96/32/30/545963230.db2.gz JABMCYKHJXEUAW-UWVGGRQHSA-N 0 0 317.329 0.884 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCCO1 ZINC000332796099 546061535 /nfs/dbraw/zinc/06/15/35/546061535.db2.gz QJESDEQNKBWXSH-XQHKEYJVSA-N 0 0 309.370 0.475 10 0 DCAERN CN1CCc2ccc(S(=O)(=O)N[C@@H]3CCCNC3=O)cc21 ZINC000333031842 546070022 /nfs/dbraw/zinc/07/00/22/546070022.db2.gz AQKLDRLIUYJUQF-GFCCVEGCSA-N 0 0 309.391 0.236 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)N(C(C)=O)C1 ZINC000333732932 546091168 /nfs/dbraw/zinc/09/11/68/546091168.db2.gz QAEKWSJTPFUBAM-BYNSBNAKSA-N 0 0 310.394 0.792 10 0 DCAERN COCCN(C(=O)N[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000359122781 546197899 /nfs/dbraw/zinc/19/78/99/546197899.db2.gz LXJKSWNYSUMXBL-WDEREUQCSA-N 0 0 304.412 0.630 10 0 DCAERN COCC[C@@H](CO)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000382969579 546216670 /nfs/dbraw/zinc/21/66/70/546216670.db2.gz GYLSEHKJLLDTQC-NSHDSACASA-N 0 0 301.774 0.685 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405273582 546227934 /nfs/dbraw/zinc/22/79/34/546227934.db2.gz PZKSDAQTNHEQBU-NWDGAFQWSA-N 0 0 316.810 0.780 10 0 DCAERN CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCO)c(C)c1 ZINC000443270762 546256176 /nfs/dbraw/zinc/25/61/76/546256176.db2.gz NVPDSUKUMURAKY-UHFFFAOYSA-N 0 0 321.377 0.524 10 0 DCAERN C[C@H]([C@H](C)O)N1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000446814741 546258328 /nfs/dbraw/zinc/25/83/28/546258328.db2.gz ZCPAWIOTRDGCQN-KCWFYHRYSA-N 0 0 320.345 0.994 10 0 DCAERN c1c[nH]c(N2CCN(CCc3nnnn3-c3ccccc3)CC2)n1 ZINC000575193068 546297525 /nfs/dbraw/zinc/29/75/25/546297525.db2.gz XLSGJRLXJFDCKY-UHFFFAOYSA-N 0 0 324.392 0.750 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593659266 546306067 /nfs/dbraw/zinc/30/60/67/546306067.db2.gz KCDMRLDHFRREOG-SYTFOFBDSA-N 0 0 313.400 0.783 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1N1CCOCC1 ZINC000669321492 546956198 /nfs/dbraw/zinc/95/61/98/546956198.db2.gz PYCMMWZOAOZPEB-DGCLKSJQSA-N 0 0 315.377 0.702 10 0 DCAERN CCn1cc(CC[N@@H+]2C[C@@H](C(=O)N(C)C)CC[C@H]2C(=O)[O-])cn1 ZINC000685940544 548746667 /nfs/dbraw/zinc/74/66/67/548746667.db2.gz OAWMKOPWLJXBPC-KBPBESRZSA-N 0 0 322.409 0.699 10 0 DCAERN Cc1c[nH]nc1C(=O)N1CC[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000685942907 548748007 /nfs/dbraw/zinc/74/80/07/548748007.db2.gz SRFJFWFVIYZHKX-SNVBAGLBSA-N 0 0 316.365 0.909 10 0 DCAERN COC(=O)[C@]1(O)CCN(C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000685960896 548748947 /nfs/dbraw/zinc/74/89/47/548748947.db2.gz GORRFJVOQULAER-CJNGLKHVSA-N 0 0 322.361 0.521 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)c(Cl)c1 ZINC000089756305 1175345162 /nfs/dbraw/zinc/34/51/62/1175345162.db2.gz HSOMKSBDAJRWPF-VIFPVBQESA-N 0 0 316.766 0.732 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@@H]3C[C@H]3C)CC2)n[nH]1 ZINC000888094452 661160048 /nfs/dbraw/zinc/16/00/48/661160048.db2.gz RBADPEPHROBDTJ-KOLCDFICSA-N 0 0 305.382 0.916 10 0 DCAERN CN(Cc1cccn1C)C(=O)c1coc(CN2CC[C@H](O)C2)n1 ZINC000888094787 661162606 /nfs/dbraw/zinc/16/26/06/661162606.db2.gz CTSRXEWNSVTATI-ZDUSSCGKSA-N 0 0 318.377 0.852 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccccc1Br ZINC000722488815 661273650 /nfs/dbraw/zinc/27/36/50/661273650.db2.gz FOEIINIEYWVBCN-SSDOTTSWSA-N 0 0 307.169 0.631 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501527 661281959 /nfs/dbraw/zinc/28/19/59/661281959.db2.gz QUYZLRPXYQQXQN-GHMZBOCLSA-N 0 0 322.427 0.950 10 0 DCAERN CC[C@H]1CN(CCS(=O)(=O)C(C)C)CCN1C[C@@H](C)O ZINC000178222722 657576342 /nfs/dbraw/zinc/57/63/42/657576342.db2.gz JCGQJDWJUGXEFL-KGLIPLIRSA-N 0 0 306.472 0.587 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000090285052 657678693 /nfs/dbraw/zinc/67/86/93/657678693.db2.gz YQCXPFLABQEMRP-LBPRGKRZSA-N 0 0 321.782 0.217 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000187583225 657804237 /nfs/dbraw/zinc/80/42/37/657804237.db2.gz ZEQQVWXCKSZZEA-QJPTWQEYSA-N 0 0 312.391 0.244 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCCc1cccs1 ZINC000725005688 658019195 /nfs/dbraw/zinc/01/91/95/658019195.db2.gz LABYKLDVHDHYMY-NSHDSACASA-N 0 0 302.421 0.184 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H](CCO)C1CCCC1 ZINC000725033734 658039195 /nfs/dbraw/zinc/03/91/95/658039195.db2.gz SFKZOCZXOCFCGJ-DGCLKSJQSA-N 0 0 303.424 0.869 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNCc1csc(C2CC2)n1 ZINC000725050162 658083819 /nfs/dbraw/zinc/08/38/19/658083819.db2.gz LAPTUZBZARTBFG-GFCCVEGCSA-N 0 0 315.464 0.887 10 0 DCAERN Cc1c(F)cccc1NC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725054363 658088998 /nfs/dbraw/zinc/08/89/98/658088998.db2.gz CWAPIAPRUHKEKN-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN [NH3+][C@@H](CC(=O)[O-])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000085811628 658092976 /nfs/dbraw/zinc/09/29/76/658092976.db2.gz JOSFXRZLACKNRF-LBPRGKRZSA-N 0 0 311.769 0.791 10 0 DCAERN CC(C)C[C@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000307842796 658227557 /nfs/dbraw/zinc/22/75/57/658227557.db2.gz LIINANKXBKUSFZ-OLZOCXBDSA-N 0 0 302.440 0.658 10 0 DCAERN C[C@H](C#N)CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000187635151 658393769 /nfs/dbraw/zinc/39/37/69/658393769.db2.gz KRQNKNCGEZYGJT-ZJUUUORDSA-N 0 0 320.374 0.389 10 0 DCAERN CN1CC[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000048742593 658426201 /nfs/dbraw/zinc/42/62/01/658426201.db2.gz PEBJIJUXKVZYPC-VIFPVBQESA-N 0 0 314.798 0.970 10 0 DCAERN Cn1cnc(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1Cl ZINC000724549206 658450524 /nfs/dbraw/zinc/45/05/24/658450524.db2.gz YPAPODFUZKOUJG-VGMNWLOBSA-N 0 0 321.786 0.156 10 0 DCAERN CCC(=O)CCN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000190217669 658527131 /nfs/dbraw/zinc/52/71/31/658527131.db2.gz HUHMNTFESKZVMB-UHFFFAOYSA-N 0 0 302.382 0.924 10 0 DCAERN CN1C[C@H](CNS(=O)(=O)c2ccc(Cl)nc2F)CC1=O ZINC000723352898 658639792 /nfs/dbraw/zinc/63/97/92/658639792.db2.gz QCVFZSQHRBGESN-ZETCQYMHSA-N 0 0 321.761 0.631 10 0 DCAERN COc1nc(C)ccc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079464 658732485 /nfs/dbraw/zinc/73/24/85/658732485.db2.gz URYGQYHJBCCHNU-YNEHKIRRSA-N 0 0 302.334 0.699 10 0 DCAERN C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 ZINC000255060469 658739300 /nfs/dbraw/zinc/73/93/00/658739300.db2.gz ZNTLEUVHDMXLEO-DOGVGXBMSA-N 0 0 322.361 0.456 10 0 DCAERN CCOC(=O)c1csc(CN2CCCNS2(=O)=O)n1 ZINC000308372244 658796710 /nfs/dbraw/zinc/79/67/10/658796710.db2.gz FCWPCVHVVJFVMD-UHFFFAOYSA-N 0 0 305.381 0.360 10 0 DCAERN CCc1cnc(CCNC(=O)NCCS(C)(=O)=O)s1 ZINC000176025880 658897093 /nfs/dbraw/zinc/89/70/93/658897093.db2.gz MPPKHTULDKLXQK-UHFFFAOYSA-N 0 0 305.425 0.592 10 0 DCAERN CCCCN(C(=O)C[C@H](N)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000724722462 658930349 /nfs/dbraw/zinc/93/03/49/658930349.db2.gz VVJYUFNEVUEVSS-ZJUUUORDSA-N 0 0 312.382 0.785 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000191013194 659381155 /nfs/dbraw/zinc/38/11/55/659381155.db2.gz OJBBFBGFRAJKCP-APPZFPTMSA-N 0 0 323.802 0.152 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000311903096 659391100 /nfs/dbraw/zinc/39/11/00/659391100.db2.gz ASNYPXOJQGXRFH-LLVKDONJSA-N 0 0 304.133 0.451 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@H]2c2nc[nH]n2)[nH]1 ZINC000329139552 659815966 /nfs/dbraw/zinc/81/59/66/659815966.db2.gz IWLSGEUYTRUONC-JTQLQIEISA-N 0 0 313.321 0.598 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]c2=O)CC1 ZINC000096646699 661581111 /nfs/dbraw/zinc/58/11/11/661581111.db2.gz HAYMQWHBDPJMFN-UHFFFAOYSA-N 0 0 317.320 0.972 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000338686423 662088057 /nfs/dbraw/zinc/08/80/57/662088057.db2.gz GPNWGFNBXKYHSK-CYBMUJFWSA-N 0 0 321.402 0.366 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C ZINC000895582295 662197368 /nfs/dbraw/zinc/19/73/68/662197368.db2.gz TXSMCJNEIDKZRG-OLZOCXBDSA-N 0 0 318.421 0.967 10 0 DCAERN O=S1(=O)CCCN1CCCNC(=S)NC1CCOCC1 ZINC000727783504 662241599 /nfs/dbraw/zinc/24/15/99/662241599.db2.gz KDNIXAPEEANFSO-UHFFFAOYSA-N 0 0 321.468 0.055 10 0 DCAERN COc1cc(-c2noc(COC3CN(C(C)=O)C3)n2)sn1 ZINC000896701050 662306227 /nfs/dbraw/zinc/30/62/27/662306227.db2.gz HPHBYYCFGHYBPN-UHFFFAOYSA-N 0 0 310.335 0.949 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)O1 ZINC000262936516 662601764 /nfs/dbraw/zinc/60/17/64/662601764.db2.gz BUSFOAGNNYSLQB-WKIYYKSKSA-N 0 0 310.394 0.998 10 0 DCAERN O=C(N[C@H]1CCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179168797 662812507 /nfs/dbraw/zinc/81/25/07/662812507.db2.gz HVFGAXFPVHHSGD-HOTGVXAUSA-N 0 0 319.405 0.836 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000729448862 662888835 /nfs/dbraw/zinc/88/88/35/662888835.db2.gz DPDLOZACRMVVOY-NQBHXWOUSA-N 0 0 315.439 0.133 10 0 DCAERN Cc1cc2[nH]c(=O)c(C(=O)O[C@H](C(=O)N(C)C)C(C)C)cn2n1 ZINC000729710484 662907648 /nfs/dbraw/zinc/90/76/48/662907648.db2.gz PBASWNUQPYXWQE-LBPRGKRZSA-N 0 0 320.349 0.601 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)no1 ZINC000897717096 662923137 /nfs/dbraw/zinc/92/31/37/662923137.db2.gz DYJRLDXCYULYKJ-MRXNPFEDSA-N 0 0 321.377 0.827 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@H]3CCO[C@@H]3C(C)C)CC2)n[nH]1 ZINC000898181930 662943005 /nfs/dbraw/zinc/94/30/05/662943005.db2.gz CGSOOXJRVBJZKR-QWHCGFSZSA-N 0 0 307.398 0.823 10 0 DCAERN CNC(=O)C1(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000730046922 662959701 /nfs/dbraw/zinc/95/97/01/662959701.db2.gz WYAVFMMVYFZLAL-UHFFFAOYSA-N 0 0 320.301 0.423 10 0 DCAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000035148988 662977534 /nfs/dbraw/zinc/97/75/34/662977534.db2.gz HAQVHPSALHGWEU-JTQLQIEISA-N 0 0 321.424 0.224 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccnc(N3CCCC3)n2)CC1 ZINC000265806612 662991264 /nfs/dbraw/zinc/99/12/64/662991264.db2.gz OLMPDBJYWKNKBM-UHFFFAOYSA-N 0 0 317.393 0.771 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000344873291 663079092 /nfs/dbraw/zinc/07/90/92/663079092.db2.gz AJYSBBGQDSMOFC-NXEZZACHSA-N 0 0 301.364 0.662 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000344880297 663079689 /nfs/dbraw/zinc/07/96/89/663079689.db2.gz CRISMQNTKVJVIY-NXEZZACHSA-N 0 0 301.364 0.911 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CCOC2)n[nH]1 ZINC000898861210 663110787 /nfs/dbraw/zinc/11/07/87/663110787.db2.gz VVMNYLZZKSTODI-LOWVWBTDSA-N 0 0 308.382 0.986 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCS(=O)(=O)C[C@H]2C)[nH]1 ZINC000435447904 663197715 /nfs/dbraw/zinc/19/77/15/663197715.db2.gz IZPSXOVDRJKSAG-MRVPVSSYSA-N 0 0 308.363 0.525 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439012 663244351 /nfs/dbraw/zinc/24/43/51/663244351.db2.gz NXVVGYVEOYZSBG-INMHGKMJSA-N 0 0 304.390 0.526 10 0 DCAERN CCn1ncc2c1CCC[C@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000900940214 663296115 /nfs/dbraw/zinc/29/61/15/663296115.db2.gz FHTXRUOROAMOOT-LLVKDONJSA-N 0 0 303.366 0.748 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)CCO1 ZINC000435687657 663297466 /nfs/dbraw/zinc/29/74/66/663297466.db2.gz HVHADOHTAJGJDU-JTQLQIEISA-N 0 0 304.306 0.280 10 0 DCAERN COC[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)CC(C)(C)O1 ZINC000908092355 663731792 /nfs/dbraw/zinc/73/17/92/663731792.db2.gz YIYWEECRDKBXJB-LBPRGKRZSA-N 0 0 313.398 0.444 10 0 DCAERN COCc1cncc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000909178847 663783940 /nfs/dbraw/zinc/78/39/40/663783940.db2.gz KCQWBQJAPYPIHD-MGPQQGTHSA-N 0 0 302.334 0.529 10 0 DCAERN C/C(=C\C(=O)N1CC[C@H](n2ccnn2)C1)CN1CCOCC1 ZINC000911823589 664112898 /nfs/dbraw/zinc/11/28/98/664112898.db2.gz QZIXBKXCVVEEOE-UELRPHRMSA-N 0 0 305.382 0.330 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC[C@H](n3ccnn3)C2)c1 ZINC000911828968 664113028 /nfs/dbraw/zinc/11/30/28/664113028.db2.gz CODNLZFDDXGRDK-GXTWGEPZSA-N 0 0 302.334 0.794 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC[C@H](n3ccnn3)C2)c1 ZINC000911828969 664113124 /nfs/dbraw/zinc/11/31/24/664113124.db2.gz CODNLZFDDXGRDK-JSGCOSHPSA-N 0 0 302.334 0.794 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912187511 664147167 /nfs/dbraw/zinc/14/71/67/664147167.db2.gz JIWOAHDQACTONE-KGLIPLIRSA-N 0 0 308.378 0.330 10 0 DCAERN COc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3CO)c21 ZINC000912419124 664173860 /nfs/dbraw/zinc/17/38/60/664173860.db2.gz SHXNFVOKLPAFRM-GFCCVEGCSA-N 0 0 304.346 0.939 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCOC[C@H]2CO)c1)NC1CC1 ZINC000912421557 664174114 /nfs/dbraw/zinc/17/41/14/664174114.db2.gz KRZPAYNXSCYIBW-CQSZACIVSA-N 0 0 319.361 0.804 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)NCC12COCCN1CCOC2 ZINC000913300121 664297210 /nfs/dbraw/zinc/29/72/10/664297210.db2.gz VXNJKCKKQCHSCB-KGLIPLIRSA-N 0 0 312.410 0.265 10 0 DCAERN CC1(C)CC(=O)N(CN2CCS(=O)(=O)C(C)(C)C2)C1=O ZINC000151444227 664335089 /nfs/dbraw/zinc/33/50/89/664335089.db2.gz FDMPYLBPALWNHH-UHFFFAOYSA-N 0 0 302.396 0.238 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222651267 664385552 /nfs/dbraw/zinc/38/55/52/664385552.db2.gz WXZRYHIHAZYNCB-OAHLLOKOSA-N 0 0 316.405 0.691 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(Br)nc1 ZINC000158100078 664523636 /nfs/dbraw/zinc/52/36/36/664523636.db2.gz QXDQEAPBRCHZMA-LURJTMIESA-N 0 0 313.111 0.381 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000227084347 664525621 /nfs/dbraw/zinc/52/56/21/664525621.db2.gz LCCLYSKTYCIIDO-GHMZBOCLSA-N 0 0 311.407 0.852 10 0 DCAERN O=S(=O)(c1ccc(F)c(F)c1F)N1CCOC[C@@H]1CO ZINC000168657768 664527316 /nfs/dbraw/zinc/52/73/16/664527316.db2.gz KOLGHURTXMPFNN-ZETCQYMHSA-N 0 0 311.281 0.486 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000061238726 664597368 /nfs/dbraw/zinc/59/73/68/664597368.db2.gz PVFBXXMIOSXUGE-UHFFFAOYSA-N 0 0 322.365 0.381 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCCn1c2ccccc2oc1=O ZINC000171228706 664605159 /nfs/dbraw/zinc/60/51/59/664605159.db2.gz ADIIDEBDKRPRIM-NXEZZACHSA-N 0 0 305.286 0.947 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(C)s2)C[C@@H]1C ZINC000229631007 664606709 /nfs/dbraw/zinc/60/67/09/664606709.db2.gz UUNWTGSAJUGMGE-CBAPKCEASA-N 0 0 304.393 0.881 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000171268566 664606726 /nfs/dbraw/zinc/60/67/26/664606726.db2.gz KILRRDWLOWIBSE-STQMWFEESA-N 0 0 312.366 0.897 10 0 DCAERN CN1C(=O)OC[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000062633672 664622171 /nfs/dbraw/zinc/62/21/71/664622171.db2.gz VOUBSTMFPUPMIY-ZDUSSCGKSA-N 0 0 307.325 0.925 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000173540884 664629824 /nfs/dbraw/zinc/62/98/24/664629824.db2.gz JWJBVEAJERNFCU-RYUDHWBXSA-N 0 0 306.428 0.878 10 0 DCAERN C[C@@H](NC(=O)Nc1ccn(CCS(C)(=O)=O)n1)C1CC1 ZINC000173956355 664633961 /nfs/dbraw/zinc/63/39/61/664633961.db2.gz BAAIWBCBFWXDCC-SECBINFHSA-N 0 0 300.384 0.848 10 0 DCAERN COC[C@H](C)OC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000174268428 664638021 /nfs/dbraw/zinc/63/80/21/664638021.db2.gz SMYQGCVPARQLME-VHRBIJSZSA-N 0 0 309.366 0.908 10 0 DCAERN CCOCCCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000174566993 664640386 /nfs/dbraw/zinc/64/03/86/664640386.db2.gz NVQBIZVGVVYDEQ-UHFFFAOYSA-N 0 0 308.338 0.490 10 0 DCAERN Clc1cnn(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000152599402 664766565 /nfs/dbraw/zinc/76/65/65/664766565.db2.gz YIOLFVYWYLICIW-UHFFFAOYSA-N 0 0 318.772 0.754 10 0 DCAERN CCCn1cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cn1 ZINC000153229699 664804920 /nfs/dbraw/zinc/80/49/20/664804920.db2.gz AENPWMCHYKSGEK-GFCCVEGCSA-N 0 0 323.397 0.069 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCOC[C@@H]1CCOC1 ZINC000731652908 664875569 /nfs/dbraw/zinc/87/55/69/664875569.db2.gz RJGFYQRLCCNFQE-VXGBXAGGSA-N 0 0 302.396 0.077 10 0 DCAERN C=CC(=O)NCCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000732099887 664901372 /nfs/dbraw/zinc/90/13/72/664901372.db2.gz LVNPPAZUXLCOMA-CQSZACIVSA-N 0 0 303.362 0.672 10 0 DCAERN C=CC(=O)NCCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000732101681 664904007 /nfs/dbraw/zinc/90/40/07/664904007.db2.gz LMRHXWZUQGREFD-UHFFFAOYSA-N 0 0 320.740 0.348 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000399083143 1157528116 /nfs/dbraw/zinc/52/81/16/1157528116.db2.gz UJAIDJKBULXYOG-SECBINFHSA-N 0 0 300.355 0.975 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NNC(=O)Cc1ccccc1C ZINC000153803914 665055790 /nfs/dbraw/zinc/05/57/90/665055790.db2.gz BBEUUWZAMVEIFF-AWEZNQCLSA-N 0 0 303.362 0.696 10 0 DCAERN CN(C)c1cc(C(=O)NCCCS(C)(=O)=O)cc(Cl)n1 ZINC000733135394 665077021 /nfs/dbraw/zinc/07/70/21/665077021.db2.gz CPCBNUFWOUDWGR-UHFFFAOYSA-N 0 0 319.814 0.966 10 0 DCAERN O=C(NN1CC(=O)NC1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000175017491 665311543 /nfs/dbraw/zinc/31/15/43/665311543.db2.gz STCPAOFVCVONCP-UHFFFAOYSA-N 0 0 303.253 0.412 10 0 DCAERN Cc1nn(CN2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000183345306 666028146 /nfs/dbraw/zinc/02/81/46/666028146.db2.gz GPXBNWAQXHHUJX-GFCCVEGCSA-N 0 0 306.326 0.655 10 0 DCAERN C[C@H](CCn1cccn1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000183840235 666124301 /nfs/dbraw/zinc/12/43/01/666124301.db2.gz GZZVVOUXRPSMKJ-VXGBXAGGSA-N 0 0 315.395 0.629 10 0 DCAERN C[C@H](CCn1cccn1)OC(=O)CCN1CCCS1(=O)=O ZINC000183876760 666134366 /nfs/dbraw/zinc/13/43/66/666134366.db2.gz RPKPWSUEBGOGEC-GFCCVEGCSA-N 0 0 315.395 0.631 10 0 DCAERN COC(=O)c1cncc(NC(=O)NCCc2ccnn2C)c1 ZINC000184226396 666190269 /nfs/dbraw/zinc/19/02/69/666190269.db2.gz QQVNYWXEPIUOIZ-UHFFFAOYSA-N 0 0 303.322 0.966 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCCc1ccnn1C ZINC000184234134 666192375 /nfs/dbraw/zinc/19/23/75/666192375.db2.gz ODTDICSREDIOPB-UHFFFAOYSA-N 0 0 320.353 0.695 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000184681798 666256339 /nfs/dbraw/zinc/25/63/39/666256339.db2.gz RIXGTISBSGPIBA-UONOGXRCSA-N 0 0 306.362 0.474 10 0 DCAERN COCCN1CCN(C(=O)NCCc2ccnn2C)C[C@@H]1C ZINC000185006097 666318016 /nfs/dbraw/zinc/31/80/16/666318016.db2.gz XCVLHVHNMNXMJG-ZDUSSCGKSA-N 0 0 309.414 0.325 10 0 DCAERN Cn1nccc1CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000185018249 666321362 /nfs/dbraw/zinc/32/13/62/666321362.db2.gz ATCQESKSPPDZKB-CQSZACIVSA-N 0 0 318.381 0.270 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733246539 666358462 /nfs/dbraw/zinc/35/84/62/666358462.db2.gz OPKQPKWPIULGCO-QMMMGPOBSA-N 0 0 319.814 0.964 10 0 DCAERN Cn1nnc2ccc(C(=O)OCCn3cc([N+](=O)[O-])cn3)cc21 ZINC000185457814 666438364 /nfs/dbraw/zinc/43/83/64/666438364.db2.gz ZBURMCQNXXGAPG-UHFFFAOYSA-N 0 0 316.277 0.930 10 0 DCAERN COC[C@H](C)COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000185703685 666551025 /nfs/dbraw/zinc/55/10/25/666551025.db2.gz CNTCPIRBUJVMFE-JTQLQIEISA-N 0 0 306.318 0.516 10 0 DCAERN COCCN(CCF)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000700237143 666696185 /nfs/dbraw/zinc/69/61/85/666696185.db2.gz JLRAQOYDJZRWTL-UHFFFAOYSA-N 0 0 304.343 0.392 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000733882921 666823868 /nfs/dbraw/zinc/82/38/68/666823868.db2.gz QYWUAXKQIPPKCS-OAQYLSRUSA-N 0 0 309.391 0.715 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000733966129 666832989 /nfs/dbraw/zinc/83/29/89/666832989.db2.gz OHKDINJGXDELBP-FHZGZLOMSA-N 0 0 317.440 0.373 10 0 DCAERN CC[S@](=O)CCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000733965163 666833101 /nfs/dbraw/zinc/83/31/01/666833101.db2.gz CDAPNTFGUQWKKL-QFIPXVFZSA-N 0 0 322.386 0.558 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000733967783 666833247 /nfs/dbraw/zinc/83/32/47/666833247.db2.gz YJNKFEMGENAFMN-FPTDNZKUSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000733966131 666833254 /nfs/dbraw/zinc/83/32/54/666833254.db2.gz OHKDINJGXDELBP-ZPWHCFADSA-N 0 0 317.440 0.373 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000733964753 666833264 /nfs/dbraw/zinc/83/32/64/666833264.db2.gz AKQISFGQAJOCHB-NRFANRHFSA-N 0 0 310.379 0.481 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2n[nH]c(C)c2C)CC1 ZINC000734618402 666895449 /nfs/dbraw/zinc/89/54/49/666895449.db2.gz UWKATIFBCYSKKM-LLVKDONJSA-N 0 0 322.365 0.263 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCn1nc(C)cc1C ZINC000735109046 666947190 /nfs/dbraw/zinc/94/71/90/666947190.db2.gz FPLGSPYKBSSVSK-HXUWFJFHSA-N 0 0 300.428 0.958 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000735091373 666950415 /nfs/dbraw/zinc/95/04/15/666950415.db2.gz ZCRKTWFEZSRGRR-CWKPULSASA-N 0 0 309.395 0.858 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000735095971 666951777 /nfs/dbraw/zinc/95/17/77/666951777.db2.gz LUXFWBUWMCGWPL-DCVWQXJKSA-N 0 0 317.455 0.844 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NCC[S@@](=O)CC ZINC000735098574 666951914 /nfs/dbraw/zinc/95/19/14/666951914.db2.gz WHIWWTMBEZOODC-FQEVSTJZSA-N 0 0 305.444 0.703 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000735112286 666954732 /nfs/dbraw/zinc/95/47/32/666954732.db2.gz UAWRCSKAGAUWCA-FKIZINRSSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)c1ccccc1F ZINC000735113668 666955338 /nfs/dbraw/zinc/95/53/38/666955338.db2.gz VHJPHZDDKTYFFR-YUNKPMOVSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000735202387 666968686 /nfs/dbraw/zinc/96/86/86/666968686.db2.gz VJEBUDKXDDCMKJ-JOCHJYFZSA-N 0 0 323.418 0.455 10 0 DCAERN Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702815896 666998644 /nfs/dbraw/zinc/99/86/44/666998644.db2.gz ALUDOJDVXFVSTL-ZYHUDNBSSA-N 0 0 324.381 0.378 10 0 DCAERN CC(C)OCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702811438 666999206 /nfs/dbraw/zinc/99/92/06/666999206.db2.gz AICRGXMPBRAPAU-NWDGAFQWSA-N 0 0 316.398 0.755 10 0 DCAERN COC(=O)c1cnc(N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000702964665 667027775 /nfs/dbraw/zinc/02/77/75/667027775.db2.gz SGOMBOXCUPMVRV-ZETCQYMHSA-N 0 0 305.381 0.058 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000703061491 667045223 /nfs/dbraw/zinc/04/52/23/667045223.db2.gz YPEFWXOMBVJRDR-UHFFFAOYSA-N 0 0 307.734 0.383 10 0 DCAERN C[C@@H](CN[C@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306774 667080457 /nfs/dbraw/zinc/08/04/57/667080457.db2.gz UHXGDSKCUGNXQH-VHSXEESVSA-N 0 0 308.400 0.560 10 0 DCAERN C[C@H](CN[C@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306772 667080687 /nfs/dbraw/zinc/08/06/87/667080687.db2.gz UHXGDSKCUGNXQH-NXEZZACHSA-N 0 0 308.400 0.560 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1COCCN1C ZINC000703945118 667155707 /nfs/dbraw/zinc/15/57/07/667155707.db2.gz OMXUXFADUSMSOS-SNVBAGLBSA-N 0 0 319.814 0.652 10 0 DCAERN C[C@@H](CN1CCN(C2=NC[C@@H](C)S2)CC1)CS(C)(=O)=O ZINC000119581841 667168170 /nfs/dbraw/zinc/16/81/70/667168170.db2.gz LSKHAGQBWQZHGV-NWDGAFQWSA-N 0 0 319.496 0.776 10 0 DCAERN CC1CCN(C(=O)NC2CCN(S(N)(=O)=O)CC2)CC1 ZINC000705059633 667275041 /nfs/dbraw/zinc/27/50/41/667275041.db2.gz VJBQKXGXWAIUTD-UHFFFAOYSA-N 0 0 304.416 0.096 10 0 DCAERN C[C@@H]1CN(Cn2nc(C(C)(C)C)[nH]c2=S)C[C@H](C(N)=O)O1 ZINC000120199047 667275829 /nfs/dbraw/zinc/27/58/29/667275829.db2.gz UROYMJJCMTZCFB-RKDXNWHRSA-N 0 0 313.427 0.396 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](C(C)=O)C1 ZINC000707834693 667441875 /nfs/dbraw/zinc/44/18/75/667441875.db2.gz LIAQHFFMZRFUPK-MNOVXSKESA-N 0 0 301.412 0.604 10 0 DCAERN CS[C@H]1CCCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000707291504 667437895 /nfs/dbraw/zinc/43/78/95/667437895.db2.gz WWMUYWGYFWDXBH-VIFPVBQESA-N 0 0 302.425 0.965 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)c2cccnc2Cl)C1=O ZINC000709120664 667444050 /nfs/dbraw/zinc/44/40/50/667444050.db2.gz AUGKJHUYHJTNEE-MRVPVSSYSA-N 0 0 303.771 0.634 10 0 DCAERN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](CO)C1 ZINC000710042739 667445863 /nfs/dbraw/zinc/44/58/63/667445863.db2.gz PDMGSKKHPYYRAL-MLCYQJTMSA-N 0 0 312.457 0.832 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1C ZINC000121901806 667514088 /nfs/dbraw/zinc/51/40/88/667514088.db2.gz JNPLGIZBLSCUCU-TXEJJXNPSA-N 0 0 322.409 0.305 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000074199597 667524901 /nfs/dbraw/zinc/52/49/01/667524901.db2.gz MNAGKOAMEUCWGJ-UHFFFAOYSA-N 0 0 313.467 0.965 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(O)cc(Br)c1 ZINC000717298735 667542921 /nfs/dbraw/zinc/54/29/21/667542921.db2.gz MYQGGKYNYQFBDI-LHLIQPBNSA-N 0 0 304.140 0.626 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)COc1cccc(Br)c1 ZINC000717304306 667543764 /nfs/dbraw/zinc/54/37/64/667543764.db2.gz MBOGJVGRUHBXPU-KCJUWKMLSA-N 0 0 318.167 0.686 10 0 DCAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(N)=O ZINC000122985136 667717411 /nfs/dbraw/zinc/71/74/11/667717411.db2.gz RYDWFJWTYAWVNJ-LKFCYVNXSA-N 0 0 317.345 0.632 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1ccc(Cl)nc1 ZINC000122995302 667717873 /nfs/dbraw/zinc/71/78/73/667717873.db2.gz SMKNNVJBCFIYDX-UHFFFAOYSA-N 0 0 324.768 0.724 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NN1CCCCC1 ZINC000123027653 667725292 /nfs/dbraw/zinc/72/52/92/667725292.db2.gz LBFOYZZANQCPLL-GFCCVEGCSA-N 0 0 303.428 0.708 10 0 DCAERN CCS(=O)(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886031724 667725945 /nfs/dbraw/zinc/72/59/45/667725945.db2.gz PDBGLGUVBKTBTD-IUCAKERBSA-N 0 0 302.318 0.868 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2nnc3ccccn32)C1=O ZINC000886074649 667728969 /nfs/dbraw/zinc/72/89/69/667728969.db2.gz KRCXGBFCYOGQCQ-NSHDSACASA-N 0 0 317.349 0.695 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2cccn(C)c2=O)C1=O ZINC000886075242 667729052 /nfs/dbraw/zinc/72/90/52/667729052.db2.gz GNIYBSCGNSFHIO-GFCCVEGCSA-N 0 0 307.350 0.351 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CC(=O)N(CC3CC3)C2)C1=O ZINC000886077856 667729183 /nfs/dbraw/zinc/72/91/83/667729183.db2.gz QITHCDDYSJPGQJ-ZDUSSCGKSA-N 0 0 323.393 0.052 10 0 DCAERN Cn1ccnc1[C@H]1[C@H](NS(=O)(=O)C2CC2)CCC(=O)N1C ZINC000886079094 667729756 /nfs/dbraw/zinc/72/97/56/667729756.db2.gz HZVFHDLOBZSSMV-ZYHUDNBSSA-N 0 0 312.395 0.164 10 0 DCAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2ccn[nH]2)CCC(=O)N1C ZINC000886085478 667730350 /nfs/dbraw/zinc/73/03/50/667730350.db2.gz QYLLRYONVZMKTB-MFKMUULPSA-N 0 0 316.365 0.483 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCOc3ccncc32)C1=O ZINC000886088044 667730718 /nfs/dbraw/zinc/73/07/18/667730718.db2.gz ISJKFDXIRAPCQG-CQSZACIVSA-N 0 0 319.361 0.835 10 0 DCAERN CC(C)[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)N(C)C ZINC000740327842 667741136 /nfs/dbraw/zinc/74/11/36/667741136.db2.gz NWVSJKJEAOQCHS-CYBMUJFWSA-N 0 0 307.350 0.467 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1ccc(Br)cc1O ZINC000717388854 667749650 /nfs/dbraw/zinc/74/96/50/667749650.db2.gz YHAKDNUVDVJKQJ-QUBYGPBYSA-N 0 0 304.140 0.626 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741193632 667760965 /nfs/dbraw/zinc/76/09/65/667760965.db2.gz RVDVQHIPDQPTMG-QRQCRPRQSA-N 0 0 324.446 0.772 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000741416939 667770519 /nfs/dbraw/zinc/77/05/19/667770519.db2.gz JDMHWBBLXUWPOJ-YUNKPMOVSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000741424308 667770957 /nfs/dbraw/zinc/77/09/57/667770957.db2.gz KYBMRPZDVAUHPY-WPCRTTGESA-N 0 0 302.318 0.728 10 0 DCAERN COC(=O)/C(C)=C\CN1C(=O)N[C@@](C)(c2ccccn2)C1=O ZINC000742205429 667783911 /nfs/dbraw/zinc/78/39/11/667783911.db2.gz BYHXMYUHJXVLHU-XMELGKRDSA-N 0 0 303.318 0.968 10 0 DCAERN C[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1N1CCOCC1 ZINC000742218782 667785073 /nfs/dbraw/zinc/78/50/73/667785073.db2.gz ORPUHWIXUQNSKG-GJZGRUSLSA-N 0 0 306.410 0.842 10 0 DCAERN CCc1nc(CN(C)S(=O)(=O)c2cnc(N)nc2)cs1 ZINC000328304357 1157796037 /nfs/dbraw/zinc/79/60/37/1157796037.db2.gz DWGSQNKCJTZCJV-UHFFFAOYSA-N 0 0 313.408 0.898 10 0 DCAERN CN(C)c1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126505712 668615940 /nfs/dbraw/zinc/61/59/40/668615940.db2.gz BQOVWTGQQGSFMA-LBPRGKRZSA-N 0 0 311.407 0.468 10 0 DCAERN CCc1cc(C)c(C(=O)NCCOCCS(C)(=O)=O)o1 ZINC000127617231 669005013 /nfs/dbraw/zinc/00/50/13/669005013.db2.gz CPIWLWBPEPMFSQ-UHFFFAOYSA-N 0 0 303.380 0.941 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@](C)(COC)C(F)(F)F ZINC000932333851 669350241 /nfs/dbraw/zinc/35/02/41/669350241.db2.gz BJOUZWJESHEQDX-GZMMTYOYSA-N 0 0 311.304 0.874 10 0 DCAERN COC(=O)c1cn(CN2CCNC(=O)[C@@H]2c2ccccc2)nn1 ZINC000129785100 669555410 /nfs/dbraw/zinc/55/54/10/669555410.db2.gz YATCAIGXUOMYMR-ZDUSSCGKSA-N 0 0 315.333 0.195 10 0 DCAERN CN(CCc1ccc(F)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000132455792 669726671 /nfs/dbraw/zinc/72/66/71/669726671.db2.gz CLILYSGNJDEDCB-UHFFFAOYSA-N 0 0 316.340 0.796 10 0 DCAERN CCOC(=O)c1cnn(CN2CC[C@H](N3CCOCC3)C2)c1 ZINC000133287580 669795273 /nfs/dbraw/zinc/79/52/73/669795273.db2.gz CAHRDBWUOGMUCK-AWEZNQCLSA-N 0 0 308.382 0.424 10 0 DCAERN CC(=O)OC1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000133304764 669796943 /nfs/dbraw/zinc/79/69/43/669796943.db2.gz YAWRUAKOJHORGK-UHFFFAOYSA-N 0 0 317.345 0.884 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157385444 669921968 /nfs/dbraw/zinc/92/19/68/669921968.db2.gz FDZBQNQNQRLRTM-SVRRBLITSA-N 0 0 300.746 0.097 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@H](O)c2ccccc2)c1 ZINC000188026290 669974382 /nfs/dbraw/zinc/97/43/82/669974382.db2.gz XQBSMFKAXHBULT-ZDUSSCGKSA-N 0 0 303.318 0.911 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)Cc1cccc(C)c1 ZINC000191209942 669990800 /nfs/dbraw/zinc/99/08/00/669990800.db2.gz LGTMPSAVJXKDHU-GJZGRUSLSA-N 0 0 322.430 0.936 10 0 DCAERN CCN1CN(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000191531693 670051895 /nfs/dbraw/zinc/05/18/95/670051895.db2.gz ZIODPUVQEXWOJS-ZDUSSCGKSA-N 0 0 312.391 0.245 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000189145926 670092869 /nfs/dbraw/zinc/09/28/69/670092869.db2.gz RLNVJKITZKMBKX-HUUCEWRRSA-N 0 0 321.425 0.812 10 0 DCAERN O=C(CN1CCN(Cc2ccc(F)nc2)CC1)N1CCOCC1 ZINC000189286561 670107456 /nfs/dbraw/zinc/10/74/56/670107456.db2.gz DVKTWHWHFSOLEI-UHFFFAOYSA-N 0 0 322.384 0.197 10 0 DCAERN CC(=O)N1CC(C(=O)NNC(=O)CCCc2cccs2)C1 ZINC000191845782 670112603 /nfs/dbraw/zinc/11/26/03/670112603.db2.gz AIYVJYTXZKJSBK-UHFFFAOYSA-N 0 0 309.391 0.697 10 0 DCAERN CC1(C)CN(C[C@@H]2CC3(CCC3)C(=O)O2)CCS1(=O)=O ZINC000192068528 670124072 /nfs/dbraw/zinc/12/40/72/670124072.db2.gz SZDJEODBARKRKF-NSHDSACASA-N 0 0 301.408 0.981 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NCc1cn(C)nc1Br ZINC000712448982 670148959 /nfs/dbraw/zinc/14/89/59/670148959.db2.gz SFIHQZXSNQTXIH-ZETCQYMHSA-N 0 0 310.217 0.705 10 0 DCAERN CO[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000713191266 670153933 /nfs/dbraw/zinc/15/39/33/670153933.db2.gz QZHFILOKLOGQPM-ZIAGYGMSSA-N 0 0 306.362 0.867 10 0 DCAERN C[C@@H]1CN(Cc2cn(C)nc2Br)C[C@H](CO)O1 ZINC000714076184 670175415 /nfs/dbraw/zinc/17/54/15/670175415.db2.gz BQQVWLSTXUYDKE-PSASIEDQSA-N 0 0 304.188 0.764 10 0 DCAERN Cn1cc(CN2CC[C@@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082312 670177488 /nfs/dbraw/zinc/17/74/88/670177488.db2.gz NZWMEKASSGZKKA-NXEZZACHSA-N 0 0 304.188 0.358 10 0 DCAERN CCNc1nc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)cs1 ZINC000714246608 670182287 /nfs/dbraw/zinc/18/22/87/670182287.db2.gz UKXHMNSHAIRVPF-ZKCHVHJHSA-N 0 0 303.409 0.880 10 0 DCAERN Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714300998 670183237 /nfs/dbraw/zinc/18/32/37/670183237.db2.gz FERZZMCJAJVWCA-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cc(Cl)ccc2C)C1 ZINC000714472565 670189881 /nfs/dbraw/zinc/18/98/81/670189881.db2.gz MRBIZYCPENUCTB-UHFFFAOYSA-N 0 0 319.766 0.557 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cc(C)sc2C)C1 ZINC000714464844 670189633 /nfs/dbraw/zinc/18/96/33/670189633.db2.gz RDXSWVRMLHBPKU-UHFFFAOYSA-N 0 0 305.377 0.273 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ncc(Br)s1 ZINC000714655784 670192185 /nfs/dbraw/zinc/19/21/85/670192185.db2.gz XKTBRZSMGBPZBE-SCSAIBSYSA-N 0 0 307.173 0.579 10 0 DCAERN CCOC(=O)[C@@H](N)C(=O)NCc1ncc(Br)s1 ZINC000714934457 670196820 /nfs/dbraw/zinc/19/68/20/670196820.db2.gz GBSUHSSORMEOQB-ZETCQYMHSA-N 0 0 322.184 0.412 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000716858488 670271416 /nfs/dbraw/zinc/27/14/16/670271416.db2.gz YONFQDBJMABGSG-SDDRHHMPSA-N 0 0 306.428 0.324 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1ccc(Br)nc1 ZINC000716805395 670273483 /nfs/dbraw/zinc/27/34/83/670273483.db2.gz VDBNVRCNBMSSLP-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(F)c(Br)c1 ZINC000080324349 670290833 /nfs/dbraw/zinc/29/08/33/670290833.db2.gz WEVFUDSXJYTEIV-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN CC(C)(C)OC(=O)N1CC2(C1)CCO[C@H]2CS(N)(=O)=O ZINC000757214286 670360221 /nfs/dbraw/zinc/36/02/21/670360221.db2.gz WKPJACMAMUEKDK-VIFPVBQESA-N 0 0 306.384 0.301 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCO[C@@H](C(F)F)C1 ZINC000194282836 670420947 /nfs/dbraw/zinc/42/09/47/670420947.db2.gz GARKEZAJDIOFAW-RKDXNWHRSA-N 0 0 301.297 0.789 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 ZINC000194376152 670428334 /nfs/dbraw/zinc/42/83/34/670428334.db2.gz RQIYZGFSUQQYMH-LLVKDONJSA-N 0 0 316.352 0.677 10 0 DCAERN CN1C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1=O ZINC000082358225 670476446 /nfs/dbraw/zinc/47/64/46/670476446.db2.gz MHOSQJVQTAQKEF-IUCAKERBSA-N 0 0 321.299 0.134 10 0 DCAERN O=C(NCc1ccccn1)C(=O)N1CCC2(CC1)OCCO2 ZINC000009858149 670659972 /nfs/dbraw/zinc/65/99/72/670659972.db2.gz KESIQODUYCISQT-UHFFFAOYSA-N 0 0 305.334 0.063 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCc1cccnc1 ZINC000113666415 670756499 /nfs/dbraw/zinc/75/64/99/670756499.db2.gz DMLWRODWALONFA-ZDUSSCGKSA-N 0 0 312.391 0.981 10 0 DCAERN Cn1cc([C@H]2CCN(CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257357 671030274 /nfs/dbraw/zinc/03/02/74/671030274.db2.gz JZABDWKBWCVVSD-ZBEGNZNMSA-N 0 0 317.393 0.887 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2ccc(C(F)(F)F)n2)C1 ZINC000116869880 671132127 /nfs/dbraw/zinc/13/21/27/671132127.db2.gz ULTHLLIIIOIIAJ-QMMMGPOBSA-N 0 0 312.317 0.483 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000003070550 671823296 /nfs/dbraw/zinc/82/32/96/671823296.db2.gz PNWMTYVXKPQOQU-ZJUUUORDSA-N 0 0 318.329 0.739 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000121443323 671826299 /nfs/dbraw/zinc/82/62/99/671826299.db2.gz CEUBGYWCRNVPIF-CQSZACIVSA-N 0 0 301.346 0.774 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC1COCCOC1 ZINC000389104621 685257324 /nfs/dbraw/zinc/25/73/24/685257324.db2.gz JPZGJDFFGGVZHW-UHFFFAOYSA-N 0 0 306.771 0.737 10 0 DCAERN C[S@@](=O)CCNc1cc(Br)cnc1C(N)=O ZINC000390445091 685260162 /nfs/dbraw/zinc/26/01/62/685260162.db2.gz XIEGFJQTPNLEOC-MRXNPFEDSA-N 0 0 306.185 0.733 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@H](O)[C@H](CO)C2)n1 ZINC000396911373 685272077 /nfs/dbraw/zinc/27/20/77/685272077.db2.gz MOEDREFKGHRPMI-UWVGGRQHSA-N 0 0 301.774 0.846 10 0 DCAERN C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)S(N)(=O)=O ZINC000398279391 685274418 /nfs/dbraw/zinc/27/44/18/685274418.db2.gz UVIBBFFRJNKPIU-SCSAIBSYSA-N 0 0 300.167 0.728 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000398599670 685274539 /nfs/dbraw/zinc/27/45/39/685274539.db2.gz ZJVXALSIXYIROX-PWSUYJOCSA-N 0 0 309.453 0.430 10 0 DCAERN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000398378986 685274770 /nfs/dbraw/zinc/27/47/70/685274770.db2.gz SEGVDUMYSDXKES-ZCFIWIBFSA-N 0 0 321.742 0.655 10 0 DCAERN CCC[C@H](NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)OCC ZINC000720874930 685316186 /nfs/dbraw/zinc/31/61/86/685316186.db2.gz RABHHWOUEQGSHV-WCQYABFASA-N 0 0 307.412 0.512 10 0 DCAERN Cn1cc(CNC(=O)N[C@H]2CCOC2)c(Br)n1 ZINC000720102282 685312775 /nfs/dbraw/zinc/31/27/75/685312775.db2.gz XQJXWGZOGDFHRR-QMMMGPOBSA-N 0 0 303.160 0.771 10 0 DCAERN CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720480570 685313764 /nfs/dbraw/zinc/31/37/64/685313764.db2.gz DOEIWFHNSTVWDS-GHMZBOCLSA-N 0 0 301.412 0.682 10 0 DCAERN C[C@@H](C(=O)NCc1cn(C)nc1Br)S(C)(=O)=O ZINC000720678984 685314683 /nfs/dbraw/zinc/31/46/83/685314683.db2.gz XEJUKVCKUWTIED-LURJTMIESA-N 0 0 324.200 0.232 10 0 DCAERN CO[C@@]1(CNC(=O)c2cnc(Cl)cn2)CCS(=O)(=O)C1 ZINC000720844329 685315251 /nfs/dbraw/zinc/31/52/51/685315251.db2.gz HLJAMZSSZWNLIU-LLVKDONJSA-N 0 0 319.770 0.064 10 0 DCAERN CO[C@@]1(CN[C@@H](C)C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000720874917 685316560 /nfs/dbraw/zinc/31/65/60/685316560.db2.gz QRHLLOBKSRKRKR-GXFFZTMASA-N 0 0 307.412 0.510 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCC[C@H](C)C2)CCS(=O)(=O)C1 ZINC000720916322 685317521 /nfs/dbraw/zinc/31/75/21/685317521.db2.gz ZEDICQHCRMTMJQ-WCQYABFASA-N 0 0 304.412 0.632 10 0 DCAERN CCc1nc(CNC[C@]2(OC)CCS(=O)(=O)C2)cs1 ZINC000721214323 685317986 /nfs/dbraw/zinc/31/79/86/685317986.db2.gz ZMOYKYSYAQXWFP-GFCCVEGCSA-N 0 0 304.437 0.999 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)c1C ZINC000722520962 685319482 /nfs/dbraw/zinc/31/94/82/685319482.db2.gz PATFXMYHPLWGAX-TXEJJXNPSA-N 0 0 319.448 0.895 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)Nc1cccc(F)c1F ZINC000725010854 685319949 /nfs/dbraw/zinc/31/99/49/685319949.db2.gz MFBCSVFSIDHRPV-QMMMGPOBSA-N 0 0 304.318 0.680 10 0 DCAERN CC(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725005305 685320004 /nfs/dbraw/zinc/32/00/04/685320004.db2.gz IYRRYYCSFWJMDH-QWHCGFSZSA-N 0 0 302.440 0.800 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)Nc1cc(F)cc(F)c1 ZINC000725010535 685320034 /nfs/dbraw/zinc/32/00/34/685320034.db2.gz KXMGGNYDUZBRME-NSHDSACASA-N 0 0 304.318 0.680 10 0 DCAERN Cc1nnc(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1N ZINC000053380161 685060760 /nfs/dbraw/zinc/06/07/60/685060760.db2.gz MLLFEAQTLCEWIJ-GHMZBOCLSA-N 0 0 311.411 0.562 10 0 DCAERN COCCN(CCC(=O)OC)CC(=O)NC1CCCCC1 ZINC000096537560 685111401 /nfs/dbraw/zinc/11/14/01/685111401.db2.gz FAPAJHNRSGILQG-UHFFFAOYSA-N 0 0 300.399 0.947 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(Br)cc1F ZINC000096726625 685112572 /nfs/dbraw/zinc/11/25/72/685112572.db2.gz JZGONVAVJHLGIA-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cn3nc4cnccn4c3=O)[C@H]2C1 ZINC000245634362 685158175 /nfs/dbraw/zinc/15/81/75/685158175.db2.gz QZOHYFNODGQIFF-FRRDWIJNSA-N 0 0 319.365 0.117 10 0 DCAERN CC(C)[C@]1(C)CC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791176 685166806 /nfs/dbraw/zinc/16/68/06/685166806.db2.gz ALSJXUNKLLCNPD-PBHICJAKSA-N 0 0 323.437 0.772 10 0 DCAERN CCOCCN1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C ZINC000247116626 685169318 /nfs/dbraw/zinc/16/93/18/685169318.db2.gz JHNCKMVZEWORIG-CABCVRRESA-N 0 0 313.442 0.276 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000247232082 685170793 /nfs/dbraw/zinc/17/07/93/685170793.db2.gz ZJEGZDJFRAKDPM-CHWSQXEVSA-N 0 0 312.410 0.897 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251833 685171173 /nfs/dbraw/zinc/17/11/73/685171173.db2.gz YWYAEAJRIOWDQB-KGLIPLIRSA-N 0 0 324.425 0.461 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@H](CC(C)C)C2=O)C1 ZINC000249711140 685183790 /nfs/dbraw/zinc/18/37/90/685183790.db2.gz WFAULXVAKQUFSJ-CHWSQXEVSA-N 0 0 310.398 0.511 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC2(CCCC2)C1 ZINC000380302245 685237012 /nfs/dbraw/zinc/23/70/12/685237012.db2.gz SSYPSCXBHVZHPS-LBPRGKRZSA-N 0 0 300.424 0.556 10 0 DCAERN O=C(/C=C\c1ccc(Br)o1)N1C[C@H](O)[C@@H](O)C1 ZINC000382984127 685241733 /nfs/dbraw/zinc/24/17/33/685241733.db2.gz VTSQFPUKNXMWLI-PJKNHULFSA-N 0 0 302.124 0.619 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1cc(Cl)ncc1Br ZINC000383223612 685241757 /nfs/dbraw/zinc/24/17/57/685241757.db2.gz ATBSNGYPYPHGHD-SNVBAGLBSA-N 0 0 323.574 0.971 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCOC2(C)C)cc1S(N)(=O)=O ZINC000328387522 1157796644 /nfs/dbraw/zinc/79/66/44/1157796644.db2.gz MNTKFXPUMYGNMQ-JTQLQIEISA-N 0 0 302.352 0.533 10 0 DCAERN C[C@H](CCCCO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000398558446 1158128086 /nfs/dbraw/zinc/12/80/86/1158128086.db2.gz ZVTSCWIHDCKOEA-GHMZBOCLSA-N 0 0 309.453 0.574 10 0 DCAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388114091 1159129854 /nfs/dbraw/zinc/12/98/54/1159129854.db2.gz FDVRNEPQYKUNBL-SYDPRGILSA-N 0 0 302.117 0.666 10 0 DCAERN COc1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1OC ZINC000044441096 1171567845 /nfs/dbraw/zinc/56/78/45/1171567845.db2.gz NDRNGRKBTXAGIK-UHFFFAOYSA-N 0 0 319.317 0.570 10 0 DCAERN C[C@]1(NC(=O)Cn2nnc3ccccc32)CCS(=O)(=O)C1 ZINC000069755552 1173806798 /nfs/dbraw/zinc/80/67/98/1173806798.db2.gz VBYVOWFTMVQTED-ZDUSSCGKSA-N 0 0 308.363 0.125 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](NC(N)=O)C(C)C ZINC000075437872 1173932590 /nfs/dbraw/zinc/93/25/90/1173932590.db2.gz DPIHAFRZBJPAPQ-ZANVPECISA-N 0 0 309.414 0.777 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC000089756423 1175345614 /nfs/dbraw/zinc/34/56/14/1175345614.db2.gz GNJUCDQKMHMLAS-SECBINFHSA-N 0 0 316.766 0.732 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1CCNC(=O)CC1 ZINC000094045985 1175693366 /nfs/dbraw/zinc/69/33/66/1175693366.db2.gz RGLKYVRKZOHRGP-UHFFFAOYSA-N 0 0 312.167 0.993 10 0 DCAERN COC(CNC(=O)CCN1c2ccccc2O[C@H](C)C1=O)OC ZINC000096565939 1175883728 /nfs/dbraw/zinc/88/37/28/1175883728.db2.gz NDRRWUQYJXACDE-LLVKDONJSA-N 0 0 322.361 0.926 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1cc(F)c(F)cc1N ZINC000230978152 1180554684 /nfs/dbraw/zinc/55/46/84/1180554684.db2.gz VCZBUZVABYEZLF-UHFFFAOYSA-N 0 0 307.322 0.216 10 0 DCAERN COc1ccc(C(=O)NCCNC(=O)[C@H]2CCCO2)cc1OC ZINC000169832292 1183609073 /nfs/dbraw/zinc/60/90/73/1183609073.db2.gz CLQDRLIJPMRFTH-CYBMUJFWSA-N 0 0 322.361 0.729 10 0 DCAERN CN(C)c1ccc(C(=O)NCCNC(=O)[C@@H]2CCCO2)cc1 ZINC000169842469 1183609726 /nfs/dbraw/zinc/60/97/26/1183609726.db2.gz CGNMAQJIQFIDLK-AWEZNQCLSA-N 0 0 305.378 0.778 10 0 DCAERN O=C(CCOc1ccccc1)NCCNC(=O)[C@@H]1CCCO1 ZINC000169842241 1183610249 /nfs/dbraw/zinc/61/02/49/1183610249.db2.gz BXVHESBXURKUPG-AWEZNQCLSA-N 0 0 306.362 0.867 10 0 DCAERN O=C(NCCNC(=O)C1CC1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171747247 1183770592 /nfs/dbraw/zinc/77/05/92/1183770592.db2.gz XDGKJHKQIQPVTE-ZIAGYGMSSA-N 0 0 303.362 0.470 10 0 DCAERN Cc1cc(C(=O)NCCCN2CCOC2=O)c2cnn(C)c2n1 ZINC000175552367 1184107071 /nfs/dbraw/zinc/10/70/71/1184107071.db2.gz WCPJLHWOTZGUKH-UHFFFAOYSA-N 0 0 317.349 0.849 10 0 DCAERN C[C@H]1CC[C@@](CO)(N(C)Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000187918857 1187582066 /nfs/dbraw/zinc/58/20/66/1187582066.db2.gz CUXFHKCILCVHDH-GXFFZTMASA-N 0 0 317.411 0.597 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000188613705 1187762415 /nfs/dbraw/zinc/76/24/15/1187762415.db2.gz GHVVWMGDGODKDN-JTQLQIEISA-N 0 0 314.345 0.959 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCC1=O ZINC000194140900 1188128993 /nfs/dbraw/zinc/12/89/93/1188128993.db2.gz FHLPFDQMPDYTTQ-QWRGUYRKSA-N 0 0 302.396 0.286 10 0 DCAERN O=C(NCCNC(=O)C1CCC(O)CC1)c1ccccc1O ZINC000194476487 1188161859 /nfs/dbraw/zinc/16/18/59/1188161859.db2.gz KWUYRLBDAVMHGF-UHFFFAOYSA-N 0 0 306.362 0.789 10 0 DCAERN CC1CCC(S(=O)(=O)NCCCCS(N)(=O)=O)CC1 ZINC000407414345 1190356292 /nfs/dbraw/zinc/35/62/92/1190356292.db2.gz WVUWKFLNJPQLFG-UHFFFAOYSA-N 0 0 312.457 0.553 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907079 1190385219 /nfs/dbraw/zinc/38/52/19/1190385219.db2.gz SNVHOVQTQSQBHN-WPCRTTGESA-N 0 0 318.420 0.169 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000255027184 747292079 /nfs/dbraw/zinc/29/20/79/747292079.db2.gz DZPGCWICFXKGQT-RBJHHQRMSA-N 0 0 304.346 0.811 10 0 DCAERN CNC(=O)NCCNC(=O)c1nscc1Br ZINC000404819952 747481361 /nfs/dbraw/zinc/48/13/61/747481361.db2.gz RUTKBZCDKZWDOR-UHFFFAOYSA-N 0 0 307.173 0.564 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000588613460 747534354 /nfs/dbraw/zinc/53/43/54/747534354.db2.gz SDWZVJUPFKBVHU-DTRQGZQOSA-N 0 0 305.309 0.975 10 0 DCAERN O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1cccnc1F ZINC000401809110 774066456 /nfs/dbraw/zinc/06/64/56/774066456.db2.gz DEUBNTNZAYBLPI-QMMMGPOBSA-N 0 0 308.356 0.076 10 0 DCAERN CCOC(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)OCC ZINC000407407733 774260975 /nfs/dbraw/zinc/26/09/75/774260975.db2.gz URODWAJQJICNRZ-NSHDSACASA-N 0 0 307.412 0.811 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)c1nnnn1C1CC1 ZINC000250692892 776172996 /nfs/dbraw/zinc/17/29/96/776172996.db2.gz OUMLCXWZYJSSSY-IVZWLZJFSA-N 0 0 321.385 0.412 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N[C@@H]1CCOC[C@H]1O ZINC000706735363 939193856 /nfs/dbraw/zinc/19/38/56/939193856.db2.gz XQBNCJHFJRKTRI-GHMZBOCLSA-N 0 0 315.167 0.911 10 0 DCAERN COC(CNC(=O)CNC(=O)c1cccc(Cl)c1)OC ZINC000701229207 949757455 /nfs/dbraw/zinc/75/74/55/949757455.db2.gz CDBGGXVDEATZKB-UHFFFAOYSA-N 0 0 300.742 0.805 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000717296138 951412822 /nfs/dbraw/zinc/41/28/22/951412822.db2.gz ULUAVOYNUUKWDT-QUBYGPBYSA-N 0 0 303.156 0.503 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076629397 185027652 /nfs/dbraw/zinc/02/76/52/185027652.db2.gz JFUUZEPJCXGNPE-CYBMUJFWSA-N 0 0 301.346 0.676 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)N(C)C1CCCCC1 ZINC000048671651 290613738 /nfs/dbraw/zinc/61/37/38/290613738.db2.gz LSVXCTVFXSPPTD-GFCCVEGCSA-N 0 0 303.428 0.706 10 0 DCAERN CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181245462 199270910 /nfs/dbraw/zinc/27/09/10/199270910.db2.gz FGNFHTCIQQFZNK-JTQLQIEISA-N 0 0 317.411 0.166 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)cn1 ZINC000181245513 199271003 /nfs/dbraw/zinc/27/10/03/199271003.db2.gz YQXOJKGSEDZUFZ-UHFFFAOYSA-N 0 0 311.407 0.949 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000088767954 185264622 /nfs/dbraw/zinc/26/46/22/185264622.db2.gz WXFLPDQJRDPQQW-SNVBAGLBSA-N 0 0 324.424 0.508 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnn(C)c1 ZINC000088787002 185265796 /nfs/dbraw/zinc/26/57/96/185265796.db2.gz QINSNHSXPLRNJI-SNVBAGLBSA-N 0 0 310.383 0.387 10 0 DCAERN COc1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1F ZINC000090634443 185307510 /nfs/dbraw/zinc/30/75/10/185307510.db2.gz JKTJEDIFKYRTSZ-SECBINFHSA-N 0 0 316.354 0.598 10 0 DCAERN CCc1cnc(N)nc1N1CCc2c(c(CO)nn2CC)C1 ZINC000095390677 185351594 /nfs/dbraw/zinc/35/15/94/185351594.db2.gz YUXCXKQQPDTXSV-UHFFFAOYSA-N 0 0 302.382 0.893 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1F ZINC000181406478 199292260 /nfs/dbraw/zinc/29/22/60/199292260.db2.gz PYUFOLUZHSNFMQ-VIFPVBQESA-N 0 0 302.327 0.009 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NCC1CC1 ZINC000181470881 199301823 /nfs/dbraw/zinc/30/18/23/199301823.db2.gz IQHSQSGOSQODQY-LLVKDONJSA-N 0 0 320.397 0.501 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000097012611 185396831 /nfs/dbraw/zinc/39/68/31/185396831.db2.gz RHAYXKWHNXXIHU-ZDUSSCGKSA-N 0 0 316.427 0.770 10 0 DCAERN O=C(CN1CCCS1(=O)=O)NCc1ccc(Cl)cn1 ZINC000181628531 199329208 /nfs/dbraw/zinc/32/92/08/199329208.db2.gz PTHUFIXRRMQWKK-UHFFFAOYSA-N 0 0 303.771 0.387 10 0 DCAERN CCC(CC)n1nc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C ZINC000181352099 282293448 /nfs/dbraw/zinc/29/34/48/282293448.db2.gz HWZWIWAJJJDUIN-ZDUSSCGKSA-N 0 0 308.382 0.879 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000183078466 199532621 /nfs/dbraw/zinc/53/26/21/199532621.db2.gz UQWOSSUEJBGEBP-WCQYABFASA-N 0 0 321.377 0.300 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCc1nnc2n1CCCCC2 ZINC000186839333 529853843 /nfs/dbraw/zinc/85/38/43/529853843.db2.gz BCRFOQOEQXIMHJ-UHFFFAOYSA-N 0 0 307.398 0.918 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@H]2CC(=O)OC)cs1 ZINC000179150316 529874639 /nfs/dbraw/zinc/87/46/39/529874639.db2.gz JUIDOHOLQJJGAN-NSHDSACASA-N 0 0 311.407 0.959 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC(=O)N1CCCCC1 ZINC000179237120 529902307 /nfs/dbraw/zinc/90/23/07/529902307.db2.gz FGQTWDGNDHHSDY-LBPRGKRZSA-N 0 0 310.398 0.309 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(C)C ZINC000178859522 529919092 /nfs/dbraw/zinc/91/90/92/529919092.db2.gz SEUBKACMULDTJP-CQSZACIVSA-N 0 0 316.361 0.283 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000178437272 529919412 /nfs/dbraw/zinc/91/94/12/529919412.db2.gz PJLWNCVGPKSIER-WCQYABFASA-N 0 0 307.398 0.690 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000154957208 529923632 /nfs/dbraw/zinc/92/36/32/529923632.db2.gz GFTVFVWXIFDOIC-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)o1 ZINC000107700039 185489575 /nfs/dbraw/zinc/48/95/75/185489575.db2.gz PMNULFVABRUQHA-UHFFFAOYSA-N 0 0 314.363 0.535 10 0 DCAERN CCC1(CC)CN([C@@H](C)C(=O)NC(=O)NC)CCS1(=O)=O ZINC000408367890 282377088 /nfs/dbraw/zinc/37/70/88/282377088.db2.gz ZLRYQIFJDJOEKE-JTQLQIEISA-N 0 0 319.427 0.120 10 0 DCAERN Cc1nc(C)c(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000108317840 185506488 /nfs/dbraw/zinc/50/64/88/185506488.db2.gz CJRDAZMUXKPALB-UHFFFAOYSA-N 0 0 324.406 0.749 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)cn2)CCO1 ZINC000181746696 199346122 /nfs/dbraw/zinc/34/61/22/199346122.db2.gz FEIXTFJOFNRGNR-NSHDSACASA-N 0 0 312.757 0.391 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000272645882 210051522 /nfs/dbraw/zinc/05/15/22/210051522.db2.gz JCFNRKABVFVXDW-WDEREUQCSA-N 0 0 320.397 0.246 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000272645857 210050177 /nfs/dbraw/zinc/05/01/77/210050177.db2.gz JCFNRKABVFVXDW-MNOVXSKESA-N 0 0 320.397 0.246 10 0 DCAERN CN1C(=O)CCc2cc([C@H]3NC(=O)[C@@H]4COCCN43)ccc21 ZINC000186884782 282624600 /nfs/dbraw/zinc/62/46/00/282624600.db2.gz RIVKHFZOJUNLDY-ZFWWWQNUSA-N 0 0 301.346 0.425 10 0 DCAERN CCc1nc(CNC(=O)N2CCN3C(=O)NC[C@H]3C2)cs1 ZINC000150803809 186067059 /nfs/dbraw/zinc/06/70/59/186067059.db2.gz CHCZZSPAVBOMEI-JTQLQIEISA-N 0 0 309.395 0.625 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000287155184 219347907 /nfs/dbraw/zinc/34/79/07/219347907.db2.gz RIQKVZQUYRLCGD-BONVTDFDSA-N 0 0 307.350 0.535 10 0 DCAERN COc1ccc(COCCCNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000171247216 197904949 /nfs/dbraw/zinc/90/49/49/197904949.db2.gz XWZOQJSFFVMZJP-CYBMUJFWSA-N 0 0 306.362 0.854 10 0 DCAERN CCOc1ccc(C(C)=O)cc1Cn1nc(C(N)=O)ccc1=O ZINC000171511428 186170914 /nfs/dbraw/zinc/17/09/14/186170914.db2.gz RFQSYHUXTNWADX-UHFFFAOYSA-N 0 0 315.329 0.992 10 0 DCAERN O=C(Nc1cccnc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000177895998 186200575 /nfs/dbraw/zinc/20/05/75/186200575.db2.gz JXCMRMITYSSXKZ-LLVKDONJSA-N 0 0 303.240 0.546 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728962 186211505 /nfs/dbraw/zinc/21/15/05/186211505.db2.gz CNDDHIKAIHFMFC-SECBINFHSA-N 0 0 312.757 0.120 10 0 DCAERN COC[C@@H](O)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183838878 186222896 /nfs/dbraw/zinc/22/28/96/186222896.db2.gz QTERPQIQQPZJBZ-JTQLQIEISA-N 0 0 309.288 0.963 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2[C@@H](c3cncnc3)C[C@@H](O)[C@H]2O)c(C)o1 ZINC000072321804 191121978 /nfs/dbraw/zinc/12/19/78/191121978.db2.gz WOAAUBGLPKWADG-KBUPBQIOSA-N 0 0 317.345 0.694 10 0 DCAERN O=C(NCCCn1ccnc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171896866 198003380 /nfs/dbraw/zinc/00/33/80/198003380.db2.gz CUYVWEWAOJBFNT-AWEZNQCLSA-N 0 0 318.381 0.580 10 0 DCAERN C[C@H]1CN(C(=O)NCCc2nccs2)CCS1(=O)=O ZINC000172368621 198086937 /nfs/dbraw/zinc/08/69/37/198086937.db2.gz OGJPTVSDLACGJD-VIFPVBQESA-N 0 0 303.409 0.514 10 0 DCAERN C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)N(C)C)CCS1(=O)=O ZINC000172373760 198088230 /nfs/dbraw/zinc/08/82/30/198088230.db2.gz UPXYIWNPYZLIFF-ZFWWWQNUSA-N 0 0 324.446 0.805 10 0 DCAERN CN1C[C@H](NC(=O)c2csc(-c3cnccn3)n2)CCC1=O ZINC000172493303 198105381 /nfs/dbraw/zinc/10/53/81/198105381.db2.gz FDXZGRRGXZVWEI-SECBINFHSA-N 0 0 317.374 0.951 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCNC(=O)c1ccccc1F ZINC000172609781 198123903 /nfs/dbraw/zinc/12/39/03/198123903.db2.gz HLDVGRHAICLRTQ-ZDUSSCGKSA-N 0 0 311.357 0.872 10 0 DCAERN COC[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCO1 ZINC000172618422 198125894 /nfs/dbraw/zinc/12/58/94/198125894.db2.gz KBYXMYQBCXOPMD-LLVKDONJSA-N 0 0 305.334 0.203 10 0 DCAERN NC(=O)c1cccnc1N1CCC2(C[NH2+][C@H](C(=O)[O-])C2)CC1 ZINC000072422077 191157883 /nfs/dbraw/zinc/15/78/83/191157883.db2.gz UAVJAELZKKGUAJ-NSHDSACASA-N 0 0 304.350 0.214 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4nnc(C)[nH]4)c3=O)n2n1 ZINC000072465710 191174774 /nfs/dbraw/zinc/17/47/74/191174774.db2.gz QIGCOOGGGIGJPL-UHFFFAOYSA-N 0 0 312.293 0.001 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn[nH]n2)ncn1 ZINC000173410806 198212386 /nfs/dbraw/zinc/21/23/86/198212386.db2.gz BGXCROJILVMWAM-SECBINFHSA-N 0 0 302.342 0.035 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn[nH]c2)ncn1 ZINC000173426458 198213057 /nfs/dbraw/zinc/21/30/57/198213057.db2.gz OIISWQICJQBFBN-LLVKDONJSA-N 0 0 301.354 0.640 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnsn2)ncn1 ZINC000173426806 198213814 /nfs/dbraw/zinc/21/38/14/198213814.db2.gz OUDQZEROKOBEGN-VIFPVBQESA-N 0 0 319.394 0.769 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000072974392 191262224 /nfs/dbraw/zinc/26/22/24/191262224.db2.gz JJGKEOUBCDLZST-GFCCVEGCSA-N 0 0 318.377 0.905 10 0 DCAERN Cc1ccoc1C(=O)NCCCNC(=O)NCc1noc(C)n1 ZINC000173560795 198227283 /nfs/dbraw/zinc/22/72/83/198227283.db2.gz ZIHBCXLAJQHYJO-UHFFFAOYSA-N 0 0 321.337 0.899 10 0 DCAERN Cc1cc(C)c(OCC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c1 ZINC000174271695 198312995 /nfs/dbraw/zinc/31/29/95/198312995.db2.gz JJVHPMOUZNVPMF-GFCCVEGCSA-N 0 0 304.346 0.912 10 0 DCAERN COC[C@H](NC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000174628308 198361312 /nfs/dbraw/zinc/36/13/12/198361312.db2.gz RMDMRGGFSDNRJK-LBPRGKRZSA-N 0 0 303.318 0.908 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)NCCNC(=O)c1ccccc1 ZINC000182150314 199393589 /nfs/dbraw/zinc/39/35/89/199393589.db2.gz XVTWLPZXEGHWGH-WIUDPPPLSA-N 0 0 311.407 0.483 10 0 DCAERN CCn1cc(CN2CCCN(c3nccn(C)c3=O)CC2)cn1 ZINC000174742357 198378814 /nfs/dbraw/zinc/37/88/14/198378814.db2.gz JGFYEDQDNRXAQT-UHFFFAOYSA-N 0 0 316.409 0.709 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)NCCNC(=O)c1ccccc1 ZINC000182150299 199393899 /nfs/dbraw/zinc/39/38/99/199393899.db2.gz XVTWLPZXEGHWGH-FIKIJFGZSA-N 0 0 311.407 0.483 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(Cl)cn2)nn1 ZINC000182167630 199396391 /nfs/dbraw/zinc/39/63/91/199396391.db2.gz GCWWEXOWSVMAEZ-UHFFFAOYSA-N 0 0 322.756 0.345 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC000284545805 283027879 /nfs/dbraw/zinc/02/78/79/283027879.db2.gz DHWYSBWACKZOHB-KGLIPLIRSA-N 0 0 303.362 0.331 10 0 DCAERN Nc1nc(SCC(=O)Nc2ncccn2)nc2nc[nH]c21 ZINC000004676188 181135438 /nfs/dbraw/zinc/13/54/38/181135438.db2.gz MFHIORLTERCBNH-UHFFFAOYSA-N 0 0 302.323 0.456 10 0 DCAERN COC[C@](C)(CCO)NC(=O)C(=O)NCc1ccc(F)cc1 ZINC000182841133 199498584 /nfs/dbraw/zinc/49/85/84/199498584.db2.gz LTRQBPBGQZGWKI-HNNXBMFYSA-N 0 0 312.341 0.346 10 0 DCAERN CO[C@H]1CN(C(=O)c2nn(C)cc2Br)C[C@@H]1OC ZINC000332626319 235215603 /nfs/dbraw/zinc/21/56/03/235215603.db2.gz HITSEIXDJLYGCC-IUCAKERBSA-N 0 0 318.171 0.668 10 0 DCAERN O=C(NCCCN1CCOC1=O)c1cnn(-c2ccccc2)n1 ZINC000077332613 191694125 /nfs/dbraw/zinc/69/41/25/191694125.db2.gz AGPHIUJAASMRBS-UHFFFAOYSA-N 0 0 315.333 0.839 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCOCC1 ZINC000080295903 192022475 /nfs/dbraw/zinc/02/24/75/192022475.db2.gz TYCLGGDDHUFPRH-JTQLQIEISA-N 0 0 316.354 0.351 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177447561 198726011 /nfs/dbraw/zinc/72/60/11/198726011.db2.gz RAPGOKYNZRRKTK-CYBMUJFWSA-N 0 0 307.398 0.926 10 0 DCAERN CN1CCO[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C1 ZINC000081300638 192247397 /nfs/dbraw/zinc/24/73/97/192247397.db2.gz PNHZNBWXVBDOKN-CYBMUJFWSA-N 0 0 301.350 0.214 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000179414105 199030897 /nfs/dbraw/zinc/03/08/97/199030897.db2.gz JWLOSCDUTWMSPF-OLZOCXBDSA-N 0 0 306.410 0.745 10 0 DCAERN NC(=O)NC(=O)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179564571 199055821 /nfs/dbraw/zinc/05/58/21/199055821.db2.gz IBXULWWZYDXCMM-GFCCVEGCSA-N 0 0 304.350 0.135 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cs1 ZINC000173212167 283340204 /nfs/dbraw/zinc/34/02/04/283340204.db2.gz WMTWABSVPCUEFX-UWVGGRQHSA-N 0 0 310.423 0.517 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000180776763 199207850 /nfs/dbraw/zinc/20/78/50/199207850.db2.gz DLGOTIWQURZQGC-NSHDSACASA-N 0 0 321.381 0.614 10 0 DCAERN C[C@@H](CO)N(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000367241561 295975849 /nfs/dbraw/zinc/97/58/49/295975849.db2.gz YLFCQNVUDMETFP-ZIBATOQPSA-N 0 0 311.382 0.326 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)Cn1ncn(C)c1=O ZINC000181158964 199258692 /nfs/dbraw/zinc/25/86/92/199258692.db2.gz RKJFBQWUZWQQJM-UHFFFAOYSA-N 0 0 303.366 0.458 10 0 DCAERN COCC(C)(C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181178179 199260751 /nfs/dbraw/zinc/26/07/51/199260751.db2.gz VGJUVMRIWRVLHZ-UHFFFAOYSA-N 0 0 317.411 0.430 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000152412832 237008713 /nfs/dbraw/zinc/00/87/13/237008713.db2.gz JOWAFULBMHKMAX-MLGOLLRUSA-N 0 0 309.410 0.367 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156773132 237051135 /nfs/dbraw/zinc/05/11/35/237051135.db2.gz QKKBYWBWGADHNS-LBPRGKRZSA-N 0 0 324.299 0.151 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CC1CCOCC1 ZINC000173042619 237152466 /nfs/dbraw/zinc/15/24/66/237152466.db2.gz KAZZJMSZZXCECX-ZYHUDNBSSA-N 0 0 304.412 0.329 10 0 DCAERN C[C@@]1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000175440084 237186854 /nfs/dbraw/zinc/18/68/54/237186854.db2.gz FIZXTUFTSDWCJL-OAHLLOKOSA-N 0 0 306.366 0.907 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)O1 ZINC000178185724 237223030 /nfs/dbraw/zinc/22/30/30/237223030.db2.gz JCUUXUPEQQZCHM-CMPLNLGQSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)C1 ZINC000182509610 237272497 /nfs/dbraw/zinc/27/24/97/237272497.db2.gz UODWAFVXTRSGPG-BDAKNGLRSA-N 0 0 304.334 0.818 10 0 DCAERN C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCSCC2)C[C@H]1C ZINC000185856036 237307562 /nfs/dbraw/zinc/30/75/62/237307562.db2.gz SESXZBUBENYUAH-VXGBXAGGSA-N 0 0 301.456 0.979 10 0 DCAERN O=C(c1nccn1C[C@H](O)CN1CCOCC1)c1cccnc1 ZINC000186763247 237320401 /nfs/dbraw/zinc/32/04/01/237320401.db2.gz GEIUMPMHVQUVMO-CQSZACIVSA-N 0 0 316.361 0.202 10 0 DCAERN Cc1nc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)no1 ZINC000186876177 237329642 /nfs/dbraw/zinc/32/96/42/237329642.db2.gz SKJPFCURQKMBFA-UHFFFAOYSA-N 0 0 302.338 0.941 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2ccccc2F)CCN1CCO ZINC000187742454 237353644 /nfs/dbraw/zinc/35/36/44/237353644.db2.gz DKXBXEFZRVPTAN-CYBMUJFWSA-N 0 0 309.385 0.440 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@H](CO)O[C@@H](C)C3)cnc12 ZINC000187874247 237360819 /nfs/dbraw/zinc/36/08/19/237360819.db2.gz UGJWXFFOERMLOE-NWDGAFQWSA-N 0 0 317.345 0.225 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2nc(N(C)C)no2)C1 ZINC000188059661 237365535 /nfs/dbraw/zinc/36/55/35/237365535.db2.gz GISRPYBANPVUOJ-VIFPVBQESA-N 0 0 303.388 0.202 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCN1CCO ZINC000187724216 200149566 /nfs/dbraw/zinc/14/95/66/200149566.db2.gz XGJRUANTXQPYSW-NSHDSACASA-N 0 0 313.348 0.902 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCC[C@H]1CCO ZINC000189015613 237388419 /nfs/dbraw/zinc/38/84/19/237388419.db2.gz YOEBUUXFWMZQGH-NWDGAFQWSA-N 0 0 303.362 0.997 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N(C)CC1(CO)CC1 ZINC000189147705 237389287 /nfs/dbraw/zinc/38/92/87/237389287.db2.gz XATBXQRACKZCNF-VIFPVBQESA-N 0 0 311.411 0.720 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)N1CCCCC1=O ZINC000194602261 237502859 /nfs/dbraw/zinc/50/28/59/237502859.db2.gz VPIDAGFGMPQCCX-CHWSQXEVSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCN1CCO ZINC000188722493 200294514 /nfs/dbraw/zinc/29/45/14/200294514.db2.gz YCRVAYIGRBKECL-LBPRGKRZSA-N 0 0 316.398 0.654 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1F ZINC000188728764 200295522 /nfs/dbraw/zinc/29/55/22/200295522.db2.gz PGAQNJFPCYIXDJ-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@@]1(C(=O)N2CCN(Cc3ccco3)CC2)CCC(=O)NC1 ZINC000281164181 216124395 /nfs/dbraw/zinc/12/43/95/216124395.db2.gz HGPONVWXAYKNQC-MRXNPFEDSA-N 0 0 305.378 0.840 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155660273 291221281 /nfs/dbraw/zinc/22/12/81/291221281.db2.gz HQKNTJRYGOBEPG-ZDUSSCGKSA-N 0 0 320.455 0.284 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC000157085620 291226832 /nfs/dbraw/zinc/22/68/32/291226832.db2.gz PLDLOXMNDYLLSG-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000159189122 291233981 /nfs/dbraw/zinc/23/39/81/291233981.db2.gz GYLKQOAFEVEDPX-GHMZBOCLSA-N 0 0 310.441 0.082 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCCc2ccccc2)cn1 ZINC000162857021 291245436 /nfs/dbraw/zinc/24/54/36/291245436.db2.gz ACRJIMVBZJMXMY-UHFFFAOYSA-N 0 0 313.361 0.840 10 0 DCAERN Cn1cc([C@@H]2CN(S(=O)(=O)CC3CCC3)C[C@H]2CO)cn1 ZINC000328624085 291259430 /nfs/dbraw/zinc/25/94/30/291259430.db2.gz JQZHWXJGHDKMJN-KBPBESRZSA-N 0 0 313.423 0.558 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248813 296060916 /nfs/dbraw/zinc/06/09/16/296060916.db2.gz XDVMUHZYCHWHKG-YOEHRIQHSA-N 0 0 316.357 0.955 10 0 DCAERN O=C(NCCOCC1CCC1)N1CCC(OCCO)CC1 ZINC000566889077 291327381 /nfs/dbraw/zinc/32/73/81/291327381.db2.gz ZJRVTIMZCHDSEI-UHFFFAOYSA-N 0 0 300.399 0.986 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)NCC(C)(C)C(N)=O)ccc2o1 ZINC000091195795 193016908 /nfs/dbraw/zinc/01/69/08/193016908.db2.gz WXZMWMRHKMUGHX-UHFFFAOYSA-N 0 0 318.333 0.702 10 0 DCAERN COc1cccc(CCNC(=O)N2CCNC(=O)[C@H]2C(C)C)n1 ZINC000441451566 240520544 /nfs/dbraw/zinc/52/05/44/240520544.db2.gz UJMCRIBAFJNZEZ-CQSZACIVSA-N 0 0 320.393 0.799 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091663142 193087243 /nfs/dbraw/zinc/08/72/43/193087243.db2.gz LVCQALNRMJWMRW-SNVBAGLBSA-N 0 0 321.425 0.411 10 0 DCAERN Cn1cc(CCC(=O)N2CCOC[C@H]2C(N)=O)c2ccccc21 ZINC000091782798 193106919 /nfs/dbraw/zinc/10/69/19/193106919.db2.gz PKRSZMJPLRYTEP-HNNXBMFYSA-N 0 0 315.373 0.824 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000091783398 193107409 /nfs/dbraw/zinc/10/74/09/193107409.db2.gz VLQWIWWUZCRMNQ-AWEZNQCLSA-N 0 0 301.346 0.813 10 0 DCAERN C[C@@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783707 193107415 /nfs/dbraw/zinc/10/74/15/193107415.db2.gz YIQQFPXQUXMJEZ-GXTWGEPZSA-N 0 0 306.362 0.804 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccccc1OC(F)F ZINC000091785421 193107531 /nfs/dbraw/zinc/10/75/31/193107531.db2.gz DBCOGJSKSDJUEI-JTQLQIEISA-N 0 0 314.288 0.543 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cnc(C)nc2)CC12COC2 ZINC000454729286 240806889 /nfs/dbraw/zinc/80/68/89/240806889.db2.gz SMXCFSRWELQMIO-GFCCVEGCSA-N 0 0 320.349 0.828 10 0 DCAERN CC(C)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)Nc1nccs1 ZINC000091840925 193116302 /nfs/dbraw/zinc/11/63/02/193116302.db2.gz AXZNSEKNHSVTCB-VHSXEESVSA-N 0 0 324.406 0.749 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccnn2CC)CC12COC2 ZINC000455053501 240824692 /nfs/dbraw/zinc/82/46/92/240824692.db2.gz AQSQVIIALQILOH-LLVKDONJSA-N 0 0 322.365 0.946 10 0 DCAERN Cn1nnnc1CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000275217732 212202687 /nfs/dbraw/zinc/20/26/87/212202687.db2.gz KMEBCVRWURWZBO-GHMZBOCLSA-N 0 0 315.333 0.401 10 0 DCAERN Cc1cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c(C)n1C1CC1 ZINC000092228733 193176786 /nfs/dbraw/zinc/17/67/86/193176786.db2.gz FRKUGWKRTQMVKJ-CQSZACIVSA-N 0 0 305.378 0.809 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nc(Cc2ccccc2)no1 ZINC000092229487 193177260 /nfs/dbraw/zinc/17/72/60/193177260.db2.gz DGHQYZMVEZLLNS-LBPRGKRZSA-N 0 0 302.334 0.347 10 0 DCAERN COC(=O)[C@@H]1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C ZINC000249071005 284068056 /nfs/dbraw/zinc/06/80/56/284068056.db2.gz LAHWHMRPAZAAAP-AAVRWANBSA-N 0 0 312.410 0.801 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1ccc(Br)cc1N ZINC000094043331 193341019 /nfs/dbraw/zinc/34/10/19/193341019.db2.gz UUAUYBKCHMRWNU-UHFFFAOYSA-N 0 0 321.196 0.806 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC000276339982 284214273 /nfs/dbraw/zinc/21/42/73/284214273.db2.gz GCENGEIJJUCGQU-NRUUGDAUSA-N 0 0 307.350 0.842 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)CC1=O ZINC000264780642 204150925 /nfs/dbraw/zinc/15/09/25/204150925.db2.gz PRLRDLUREDHVOC-VXGBXAGGSA-N 0 0 317.393 0.797 10 0 DCAERN Nc1cc(N)nc(SCn2nnc3ccccc3c2=O)n1 ZINC000008488048 181559475 /nfs/dbraw/zinc/55/94/75/181559475.db2.gz VLVXLFDCIRGWKE-UHFFFAOYSA-N 0 0 301.335 0.496 10 0 DCAERN C[C@@H](O)CN(C(=O)N1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000408394537 296173670 /nfs/dbraw/zinc/17/36/70/296173670.db2.gz JRIXNCKOKBQKJV-GFCCVEGCSA-N 0 0 318.439 0.852 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CC(=O)N(C)[C@@H](C)C2)c1C ZINC000282508578 217049665 /nfs/dbraw/zinc/04/96/65/217049665.db2.gz XTWWVNMOMJDBOL-VIFPVBQESA-N 0 0 311.407 0.606 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)Cc1ccccc1F ZINC000282607510 217121770 /nfs/dbraw/zinc/12/17/70/217121770.db2.gz RFLFCARGFIBCOI-CABZTGNLSA-N 0 0 300.355 0.912 10 0 DCAERN Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CSC1(C)C)CCC2 ZINC000282745003 217220181 /nfs/dbraw/zinc/22/01/81/217220181.db2.gz GHKGJNBLYITSBK-JTQLQIEISA-N 0 0 308.407 0.858 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000015465528 182004004 /nfs/dbraw/zinc/00/40/04/182004004.db2.gz ZCJHTXVQTCREOO-GFCCVEGCSA-N 0 0 304.346 0.946 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 ZINC000015465526 182004156 /nfs/dbraw/zinc/00/41/56/182004156.db2.gz ZCJHTXVQTCREOO-LBPRGKRZSA-N 0 0 304.346 0.946 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266186107 205167228 /nfs/dbraw/zinc/16/72/28/205167228.db2.gz HADDFWKNRYFYNP-LLVKDONJSA-N 0 0 300.384 0.363 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282888886 217304038 /nfs/dbraw/zinc/30/40/38/217304038.db2.gz ZCOJXEYRQDMBAX-SNVBAGLBSA-N 0 0 304.350 0.788 10 0 DCAERN O=C(NCc1n[nH]c(=O)c2ccccc12)C(=O)N1CCCC1 ZINC000017200984 182080273 /nfs/dbraw/zinc/08/02/73/182080273.db2.gz UNLWIOZIFUATSW-UHFFFAOYSA-N 0 0 300.318 0.162 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1N ZINC000021812962 182292428 /nfs/dbraw/zinc/29/24/28/182292428.db2.gz ZIOHEWYWENFWGE-SECBINFHSA-N 0 0 304.393 0.043 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1nsc(N(C)C)n1 ZINC000154290495 296220916 /nfs/dbraw/zinc/22/09/16/296220916.db2.gz KAMJTQARFUZXQQ-IUCAKERBSA-N 0 0 306.457 0.858 10 0 DCAERN CC1(C)C[C@@H](C(=O)NCCCN2C(=O)C=CC2=O)C(C)(C)N1O ZINC000100406634 193799226 /nfs/dbraw/zinc/79/92/26/193799226.db2.gz FEVXOUPPFKJOLP-NSHDSACASA-N 0 0 322.385 0.642 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)NCCOCC2CCC2)CCO1 ZINC000574011215 291668336 /nfs/dbraw/zinc/66/83/36/291668336.db2.gz JPKBHHWSVRWYTK-ZDUSSCGKSA-N 0 0 314.382 0.777 10 0 DCAERN COCC(=O)NCc1nc2ccccc2n1CC(=O)NC(C)C ZINC000040296379 183052477 /nfs/dbraw/zinc/05/24/77/183052477.db2.gz JRNCILNSBXHOFW-UHFFFAOYSA-N 0 0 318.377 0.824 10 0 DCAERN C[C@@H](C(=O)NCc1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000102329442 193875356 /nfs/dbraw/zinc/87/53/56/193875356.db2.gz YJQZTTNNZZJTMW-JTQLQIEISA-N 0 0 319.365 0.289 10 0 DCAERN COc1cc(=O)n(C)c2c(OC[C@@H](O)[C@@](C)(O)OC)cccc12 ZINC000044559698 183422523 /nfs/dbraw/zinc/42/25/23/183422523.db2.gz COMTYGQAMQKQCJ-CJNGLKHVSA-N 0 0 323.345 0.642 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000044647084 183430026 /nfs/dbraw/zinc/43/00/26/183430026.db2.gz KFZZKLYNISTIHB-CQSZACIVSA-N 0 0 315.373 0.899 10 0 DCAERN CN(CCCO)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000574356597 291690233 /nfs/dbraw/zinc/69/02/33/291690233.db2.gz KODLQHHYSBSWIS-UHFFFAOYSA-N 0 0 305.331 0.319 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000104356398 194000613 /nfs/dbraw/zinc/00/06/13/194000613.db2.gz KJHUYWNJONKEHR-GJZGRUSLSA-N 0 0 317.389 0.991 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000104357814 194001537 /nfs/dbraw/zinc/00/15/37/194001537.db2.gz SACKSPPRNCMION-JTQLQIEISA-N 0 0 302.338 0.092 10 0 DCAERN NC(=O)Cn1c2ccccc2nc1NCCN1CCOCC1 ZINC000045918849 183536773 /nfs/dbraw/zinc/53/67/73/183536773.db2.gz BBWZAQWYRPVCPE-UHFFFAOYSA-N 0 0 303.366 0.266 10 0 DCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCNC(=O)CC1 ZINC000105143760 194079213 /nfs/dbraw/zinc/07/92/13/194079213.db2.gz SIIRLOMCJXURRE-JTQLQIEISA-N 0 0 322.331 0.402 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811746 194134526 /nfs/dbraw/zinc/13/45/26/194134526.db2.gz FYTUANYNFSDYBW-RYUDHWBXSA-N 0 0 304.350 0.324 10 0 DCAERN Cn1cc(CN2CCCN(CCCS(C)(=O)=O)CC2)cn1 ZINC000105870105 194151348 /nfs/dbraw/zinc/15/13/48/194151348.db2.gz RJQNDXCGYVFBKD-UHFFFAOYSA-N 0 0 314.455 0.363 10 0 DCAERN CCCCOCCNC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105890576 194159463 /nfs/dbraw/zinc/15/94/63/194159463.db2.gz CMWYGSSCNUVJHR-HNNXBMFYSA-N 0 0 324.425 0.517 10 0 DCAERN COCCCNC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105917633 194168329 /nfs/dbraw/zinc/16/83/29/194168329.db2.gz YPTYIBJYPSQPQY-UHFFFAOYSA-N 0 0 323.441 0.081 10 0 DCAERN O=C(c1cnn2cccnc12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000265958650 296293765 /nfs/dbraw/zinc/29/37/65/296293765.db2.gz KIJWFQDHRCXMOG-LLVKDONJSA-N 0 0 300.240 0.869 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000106686916 194243807 /nfs/dbraw/zinc/24/38/07/194243807.db2.gz QCKVYWNSNLGNFW-ZDUSSCGKSA-N 0 0 314.345 0.134 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC1 ZINC000360683781 261861783 /nfs/dbraw/zinc/86/17/83/261861783.db2.gz RFQFHNBACZRMRP-WDEREUQCSA-N 0 0 307.416 0.087 10 0 DCAERN CCNc1ccccc1S(=O)(=O)NCCS(C)(=O)=O ZINC000050630511 183791295 /nfs/dbraw/zinc/79/12/95/183791295.db2.gz PGSFMMGIUUHSST-UHFFFAOYSA-N 0 0 306.409 0.441 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[S@](C)=O ZINC000110017656 194303751 /nfs/dbraw/zinc/30/37/51/194303751.db2.gz YTDCZCPOALTUBS-NSPYISDASA-N 0 0 324.468 0.075 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000111050348 194387328 /nfs/dbraw/zinc/38/73/28/194387328.db2.gz QCBWVBJLTGXMNW-KBPBESRZSA-N 0 0 303.362 0.159 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082755 194390085 /nfs/dbraw/zinc/39/00/85/194390085.db2.gz KGIMUJWTMKCISE-KBPBESRZSA-N 0 0 311.382 0.552 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285791672 218638157 /nfs/dbraw/zinc/63/81/57/218638157.db2.gz LZVREKRWDVABRF-QWRGUYRKSA-N 0 0 316.365 0.579 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112105249 194433009 /nfs/dbraw/zinc/43/30/09/194433009.db2.gz PVUZIZRZOZLVFD-CYBMUJFWSA-N 0 0 323.397 0.128 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)NC3CCOCC3)CCO2)c1 ZINC000112108515 194432788 /nfs/dbraw/zinc/43/27/88/194432788.db2.gz UMXPBPBEWLYVAU-CQSZACIVSA-N 0 0 308.382 0.781 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000286027518 218754575 /nfs/dbraw/zinc/75/45/75/218754575.db2.gz RHYLZKADIMCZHQ-PBHICJAKSA-N 0 0 318.373 1.000 10 0 DCAERN CN1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000060612978 184152930 /nfs/dbraw/zinc/15/29/30/184152930.db2.gz OHPLSRGNJMIFLX-UHFFFAOYSA-N 0 0 316.810 0.888 10 0 DCAERN C[C@H](O)c1ccccc1NS(=O)(=O)CCS(C)(=O)=O ZINC000063143444 184273606 /nfs/dbraw/zinc/27/36/06/184273606.db2.gz WCVFRJPZROJXGG-VIFPVBQESA-N 0 0 307.393 0.526 10 0 DCAERN C[C@H](CNC(=O)COc1ccccc1C=O)N1CCOCC1 ZINC000066611759 184418961 /nfs/dbraw/zinc/41/89/61/184418961.db2.gz HWHCHRRQNMNEAA-CYBMUJFWSA-N 0 0 306.362 0.715 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)NCc2ccnn2C)CC1 ZINC000069265876 184505965 /nfs/dbraw/zinc/50/59/65/184505965.db2.gz JGBWDQBJSUVSLP-UHFFFAOYSA-N 0 0 307.398 0.820 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000333202281 252693588 /nfs/dbraw/zinc/69/35/88/252693588.db2.gz ZQWASUVZSFFBKN-MQYQWHSLSA-N 0 0 321.421 0.808 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCO[C@@H](CF)C2)cn1 ZINC000333435538 252723008 /nfs/dbraw/zinc/72/30/08/252723008.db2.gz VHIUUKBJELFPLT-XQQFMLRXSA-N 0 0 312.345 0.630 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408370268 291833699 /nfs/dbraw/zinc/83/36/99/291833699.db2.gz ITMMCZFGGPPXPL-IJLUTSLNSA-N 0 0 320.411 0.368 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338280520 252939638 /nfs/dbraw/zinc/93/96/38/252939638.db2.gz HHMLHAWGQTVQBU-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN CNc1ncnc2c1cnn2Cc1nnnn1CC(F)(F)F ZINC000194421841 533090203 /nfs/dbraw/zinc/09/02/03/533090203.db2.gz HFWKRKJTRDOUBX-UHFFFAOYSA-N 0 0 313.247 0.465 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000190733086 533123059 /nfs/dbraw/zinc/12/30/59/533123059.db2.gz KQZVTXCKXDCQLD-QGZVFWFLSA-N 0 0 318.373 0.899 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)[C@H]1CO ZINC000408243340 296392911 /nfs/dbraw/zinc/39/29/11/296392911.db2.gz GJGDBKKNTXLWLQ-KGLIPLIRSA-N 0 0 320.455 0.131 10 0 DCAERN CO[C@H](C)c1noc(CN2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000155144700 533130516 /nfs/dbraw/zinc/13/05/16/533130516.db2.gz PNECTPLUMWVSPI-SECBINFHSA-N 0 0 303.384 0.786 10 0 DCAERN Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Cn1cccn1 ZINC000349052002 254271293 /nfs/dbraw/zinc/27/12/93/254271293.db2.gz KUDHYFSBZMOKTB-KBPBESRZSA-N 0 0 321.356 0.908 10 0 DCAERN C[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)S(N)(=O)=O ZINC000350616210 254319005 /nfs/dbraw/zinc/31/90/05/254319005.db2.gz OZTNDLZTSGORHI-LDYMZIIASA-N 0 0 300.405 0.497 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CSc2ccccc21)S(N)(=O)=O ZINC000350621823 254320245 /nfs/dbraw/zinc/32/02/45/254320245.db2.gz VOEHKHGBPZPCKA-PSASIEDQSA-N 0 0 300.405 0.669 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350627700 254321093 /nfs/dbraw/zinc/32/10/93/254321093.db2.gz FIWNUDUQGHSOBO-WDEREUQCSA-N 0 0 300.380 0.556 10 0 DCAERN CC(=O)c1ccc(OC[C@H](O)Cn2nnn(C3CC3)c2=O)cc1 ZINC000351883503 254377900 /nfs/dbraw/zinc/37/79/00/254377900.db2.gz MJFULLIAFFSNSA-CYBMUJFWSA-N 0 0 318.333 0.417 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cnc(C)s1 ZINC000129502553 291921540 /nfs/dbraw/zinc/92/15/40/291921540.db2.gz VNYSJHVRWGRDJW-SNVBAGLBSA-N 0 0 304.393 0.224 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000152758268 533208063 /nfs/dbraw/zinc/20/80/63/533208063.db2.gz KPJMGTVQDOPEEM-NEPJUHHUSA-N 0 0 306.428 0.747 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2(C)CC2)CC1 ZINC000157265369 533209917 /nfs/dbraw/zinc/20/99/17/533209917.db2.gz NOARAMQLIFQLIY-ZDUSSCGKSA-N 0 0 309.410 0.178 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC(C)(C)O1 ZINC000408029834 285302263 /nfs/dbraw/zinc/30/22/63/285302263.db2.gz YZWLTYLLAYQNMU-RYUDHWBXSA-N 0 0 306.428 0.841 10 0 DCAERN COCCNC(=O)[C@@H]1CN(c2ncccn2)Cc2ncn(C)c21 ZINC000248029373 257110141 /nfs/dbraw/zinc/11/01/41/257110141.db2.gz KOPHQWOJBBYGOG-LLVKDONJSA-N 0 0 316.365 0.077 10 0 DCAERN CN(C)C(=O)CN1C(=O)C[C@@H]2[C@H]1CCN2Cc1nccs1 ZINC000248037478 257111037 /nfs/dbraw/zinc/11/10/37/257111037.db2.gz VAFZAZFDKMKTMK-GHMZBOCLSA-N 0 0 308.407 0.407 10 0 DCAERN Cc1nnc(N2C[C@@H]3OC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000247991133 257111642 /nfs/dbraw/zinc/11/16/42/257111642.db2.gz AUBQKBSEJIDIIP-TUAOUCFPSA-N 0 0 308.407 0.824 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247962281 257112547 /nfs/dbraw/zinc/11/25/47/257112547.db2.gz RATVVZQWECCBII-CYBMUJFWSA-N 0 0 314.345 0.915 10 0 DCAERN CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)c3ccco3)[C@@H]2C1 ZINC000247525942 257119691 /nfs/dbraw/zinc/11/96/91/257119691.db2.gz MYFAXYMVGNSGND-GHMZBOCLSA-N 0 0 314.363 0.155 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccsc3)n2)C1 ZINC000074195296 184964541 /nfs/dbraw/zinc/96/45/41/184964541.db2.gz RZVQIZVOFOGMGA-SECBINFHSA-N 0 0 320.378 0.126 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000275426434 130319426 /nfs/dbraw/zinc/31/94/26/130319426.db2.gz GZIUWXGHKWLIMU-UHFFFAOYSA-N 0 0 309.800 0.514 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000275569587 130337588 /nfs/dbraw/zinc/33/75/88/130337588.db2.gz ISUPUWWTSILEOR-AVGNSLFASA-N 0 0 307.398 0.596 10 0 DCAERN O=C(C[C@H]1CCCO1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275625970 130351983 /nfs/dbraw/zinc/35/19/83/130351983.db2.gz JJKBBMJCLPWEQT-GFCCVEGCSA-N 0 0 316.365 0.342 10 0 DCAERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c[nH]1 ZINC000457264547 291996292 /nfs/dbraw/zinc/99/62/92/291996292.db2.gz HSYRMBKJGHHANX-WDEREUQCSA-N 0 0 305.334 0.685 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCS2)C[C@@H]1c1cnn(C)c1 ZINC000284482761 131085347 /nfs/dbraw/zinc/08/53/47/131085347.db2.gz BBTFXPKOKSWSIY-FRRDWIJNSA-N 0 0 322.434 0.604 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2cncnc2)CC(C)(C)O1 ZINC000284504165 131087213 /nfs/dbraw/zinc/08/72/13/131087213.db2.gz INDVJLLUDLLDLQ-AWEZNQCLSA-N 0 0 322.409 0.561 10 0 DCAERN Cc1ccnc(N2CCC[C@](O)(C(N)=O)C2)c1Br ZINC000284530392 131089102 /nfs/dbraw/zinc/08/91/02/131089102.db2.gz GEOLOZWIQVQWTF-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cn2ncc3ccccc32)C1 ZINC000284553265 131091869 /nfs/dbraw/zinc/09/18/69/131091869.db2.gz IUBUACREWSSSGC-AAEUAGOBSA-N 0 0 302.334 0.138 10 0 DCAERN COc1cccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 ZINC000284601958 131096309 /nfs/dbraw/zinc/09/63/09/131096309.db2.gz NFSNUEXELIJNFR-KBPBESRZSA-N 0 0 306.362 0.729 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2cncn2C)CC(C)(C)O1 ZINC000284626890 131098573 /nfs/dbraw/zinc/09/85/73/131098573.db2.gz UGYAVWFTOAPLTN-AWEZNQCLSA-N 0 0 324.425 0.504 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663808 131101845 /nfs/dbraw/zinc/10/18/45/131101845.db2.gz YCEHHRKIGWMQEM-CYBMUJFWSA-N 0 0 310.398 0.494 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)c12 ZINC000284829013 131114313 /nfs/dbraw/zinc/11/43/13/131114313.db2.gz CKHJTGAYOQCNST-RDDDGLTNSA-N 0 0 301.350 0.768 10 0 DCAERN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCCO1 ZINC000285188845 131145294 /nfs/dbraw/zinc/14/52/94/131145294.db2.gz NJHSOWSGQTVPRV-DOMZBBRYSA-N 0 0 304.346 0.966 10 0 DCAERN CCCn1ncc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1C1CC1 ZINC000285403952 131165181 /nfs/dbraw/zinc/16/51/81/131165181.db2.gz HBEQMGSMIOVZAA-MRXNPFEDSA-N 0 0 320.393 0.623 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cnn1C ZINC000285422516 131166501 /nfs/dbraw/zinc/16/65/01/131166501.db2.gz NHRHAGKZRGYXND-ZIAGYGMSSA-N 0 0 307.398 0.343 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431660 131167814 /nfs/dbraw/zinc/16/78/14/131167814.db2.gz JFDJMMZPSCMJKR-VXGBXAGGSA-N 0 0 316.365 0.666 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCc3c(O)cccc32)C1 ZINC000285538217 131178553 /nfs/dbraw/zinc/17/85/53/131178553.db2.gz NZUHSSIUJLWZIP-GUYCJALGSA-N 0 0 318.373 0.651 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC000285628122 131188196 /nfs/dbraw/zinc/18/81/96/131188196.db2.gz SQZDRSCTBCJHID-OLMNPRSZSA-N 0 0 314.385 0.729 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120001960 132138105 /nfs/dbraw/zinc/13/81/05/132138105.db2.gz BRPMAYBFTNWIDJ-SFYZADRCSA-N 0 0 302.356 0.924 10 0 DCAERN CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000121164135 132152746 /nfs/dbraw/zinc/15/27/46/132152746.db2.gz SMVGNULGXOUTNH-ZYHUDNBSSA-N 0 0 309.366 0.911 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122273342 132162431 /nfs/dbraw/zinc/16/24/31/132162431.db2.gz UMXVAKAYSSSWMQ-LLVKDONJSA-N 0 0 304.412 0.184 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NCC(=O)NC(C)C)CC2=O)cc1 ZINC000008167224 395684194 /nfs/dbraw/zinc/68/41/94/395684194.db2.gz GYWJWENIURHPBF-CYBMUJFWSA-N 0 0 317.389 0.989 10 0 DCAERN CCCN1C(=O)N=NC1S[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000012929719 395688095 /nfs/dbraw/zinc/68/80/95/395688095.db2.gz PMAFFBGGGMYKCU-SSDOTTSWSA-N 0 0 313.383 0.863 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C ZINC000017637490 395690823 /nfs/dbraw/zinc/69/08/23/395690823.db2.gz DJZDUFKBZRILCG-ZDUSSCGKSA-N 0 0 324.402 0.337 10 0 DCAERN CCN1CCN([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 ZINC000023476941 395692397 /nfs/dbraw/zinc/69/23/97/395692397.db2.gz YCVGFVGMAPDWOK-AWEZNQCLSA-N 0 0 303.362 0.662 10 0 DCAERN Cn1nccc1CNC(=O)c1cccnc1N1CCOCC1 ZINC000030582549 395702835 /nfs/dbraw/zinc/70/28/35/395702835.db2.gz AUQACUFJIOXZCQ-UHFFFAOYSA-N 0 0 301.350 0.582 10 0 DCAERN CC(C)(C)NC(=O)CS(=O)(=O)CC(=O)Nc1ccccc1 ZINC000031867418 395708571 /nfs/dbraw/zinc/70/85/71/395708571.db2.gz SQDZECNMSHQDON-UHFFFAOYSA-N 0 0 312.391 0.955 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC[C@@H](C)[C@H](O)C3)c(=O)n2c1 ZINC000089406935 395710853 /nfs/dbraw/zinc/71/08/53/395710853.db2.gz RFUOESGUZIRINX-DGCLKSJQSA-N 0 0 301.346 0.846 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000089412863 395711449 /nfs/dbraw/zinc/71/14/49/395711449.db2.gz ZEWWRJXZJVHHNO-HZMBPMFUSA-N 0 0 317.393 0.903 10 0 DCAERN C[C@H]1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1O ZINC000089475741 395712112 /nfs/dbraw/zinc/71/21/12/395712112.db2.gz WHYHJAQEUHHGGL-QWRGUYRKSA-N 0 0 304.412 0.224 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000089896029 395715838 /nfs/dbraw/zinc/71/58/38/395715838.db2.gz QXNQCRJQHXVBGR-JQWIXIFHSA-N 0 0 323.397 0.932 10 0 DCAERN CN(C)S(=O)(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000027960675 395695501 /nfs/dbraw/zinc/69/55/01/395695501.db2.gz IWJOMVHPYUWSQG-UHFFFAOYSA-N 0 0 309.395 0.715 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2cccc(C(N)=O)c2)C1 ZINC000028056118 395695705 /nfs/dbraw/zinc/69/57/05/395695705.db2.gz BLTOAEJWFIOOOX-LLVKDONJSA-N 0 0 311.407 0.852 10 0 DCAERN O=C(C1CCCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510361 395732505 /nfs/dbraw/zinc/73/25/05/395732505.db2.gz HVKDWQUQAFCLCT-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN C[C@@H](Nc1ccc2nnc(C3CC3)n2n1)C(=O)N1CCOCC1 ZINC000091477339 395725548 /nfs/dbraw/zinc/72/55/48/395725548.db2.gz YHAFKBOLPUCBNW-SNVBAGLBSA-N 0 0 316.365 0.661 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC[C@H]1CCCO1 ZINC000037981799 395730112 /nfs/dbraw/zinc/73/01/12/395730112.db2.gz BFRVXRBWAJFGQT-SECBINFHSA-N 0 0 317.367 0.434 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000041824500 395739466 /nfs/dbraw/zinc/73/94/66/395739466.db2.gz QDVVZRIMNRJPOD-SNVBAGLBSA-N 0 0 310.379 0.551 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@@H](O)C2)c(F)c1 ZINC000092977685 395735044 /nfs/dbraw/zinc/73/50/44/395735044.db2.gz LXOKDRUAQUBMMK-RNCFNFMXSA-N 0 0 302.371 0.941 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C)[C@H](O)C3)cc12 ZINC000093052292 395735649 /nfs/dbraw/zinc/73/56/49/395735649.db2.gz RVVXQCKNASVZTM-QPUJVOFHSA-N 0 0 311.363 0.923 10 0 DCAERN C[C@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000093344448 395738270 /nfs/dbraw/zinc/73/82/70/395738270.db2.gz KTVNCIBDUFPNHB-FZMZJTMJSA-N 0 0 303.362 0.674 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c(F)c1 ZINC000041601080 395738672 /nfs/dbraw/zinc/73/86/72/395738672.db2.gz QJFIJIBQRVSUBD-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN CCOC(=O)CN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000096561771 395754745 /nfs/dbraw/zinc/75/47/45/395754745.db2.gz WAXXRCGQSAEROT-JTQLQIEISA-N 0 0 318.329 0.693 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCC[C@@H](c3nn[nH]n3)C2)n1 ZINC000097234754 395756654 /nfs/dbraw/zinc/75/66/54/395756654.db2.gz CILNSSFSQANUOA-SNVBAGLBSA-N 0 0 317.401 0.958 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(C(N)=O)c2)C1 ZINC000193895232 395781463 /nfs/dbraw/zinc/78/14/63/395781463.db2.gz NEPNSCPRYSJPED-CYBMUJFWSA-N 0 0 313.361 0.934 10 0 DCAERN C[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCC1=O ZINC000193923337 395782900 /nfs/dbraw/zinc/78/29/00/395782900.db2.gz QQRBNYBKZZFLGN-VIFPVBQESA-N 0 0 302.338 0.227 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000101563686 395765294 /nfs/dbraw/zinc/76/52/94/395765294.db2.gz BRZHECOVZXMLSK-GFCCVEGCSA-N 0 0 324.425 0.698 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193558127 395771944 /nfs/dbraw/zinc/77/19/44/395771944.db2.gz LVLULUONRKICQK-VIFPVBQESA-N 0 0 310.741 0.411 10 0 DCAERN C[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000046371096 395776189 /nfs/dbraw/zinc/77/61/89/395776189.db2.gz PUVLWSFJHHJYKB-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000046371098 395776542 /nfs/dbraw/zinc/77/65/42/395776542.db2.gz PUVLWSFJHHJYKB-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(=O)c1 ZINC000194719782 395804784 /nfs/dbraw/zinc/80/47/84/395804784.db2.gz KENVLKIEZBQDJZ-CYBMUJFWSA-N 0 0 300.362 0.906 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000194723399 395805500 /nfs/dbraw/zinc/80/55/00/395805500.db2.gz QWSPCVPJACAASX-ZDUSSCGKSA-N 0 0 302.378 0.792 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000194758454 395806947 /nfs/dbraw/zinc/80/69/47/395806947.db2.gz YKKAXWHZQNFWBQ-UTUOFQBUSA-N 0 0 304.412 0.199 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000194795857 395807494 /nfs/dbraw/zinc/80/74/94/395807494.db2.gz PXFMFPYWJMKGTF-BDAKNGLRSA-N 0 0 308.363 0.209 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)nc2)CCS1 ZINC000270787256 395809067 /nfs/dbraw/zinc/80/90/67/395809067.db2.gz QKMRUKVHRGAHDM-QMMMGPOBSA-N 0 0 301.393 0.307 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649812 395811575 /nfs/dbraw/zinc/81/15/75/395811575.db2.gz RWEOVRLFHISSOC-CYBMUJFWSA-N 0 0 308.382 0.417 10 0 DCAERN C[C@@H](C(=O)NCC1(C)COC1)N1C(=O)c2ccccc2C1=O ZINC000112618940 395819298 /nfs/dbraw/zinc/81/92/98/395819298.db2.gz QSMFBTWXCBTJDM-JTQLQIEISA-N 0 0 302.330 0.824 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NCC3(C)COC3)n2)cc1 ZINC000112618148 395819381 /nfs/dbraw/zinc/81/93/81/395819381.db2.gz SPXFTKYKXKHEFL-UHFFFAOYSA-N 0 0 301.350 0.801 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)CC2 ZINC000195277269 395822790 /nfs/dbraw/zinc/82/27/90/395822790.db2.gz NYIOKUPQGPPIMT-GHMZBOCLSA-N 0 0 305.382 0.311 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC(=O)N(C)C)C2 ZINC000112740741 395823055 /nfs/dbraw/zinc/82/30/55/395823055.db2.gz HPCVINTVOSYWTC-UHFFFAOYSA-N 0 0 307.398 0.699 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)NCC1(C)COC1 ZINC000112728414 395823331 /nfs/dbraw/zinc/82/33/31/395823331.db2.gz SSHWBLJMFBBMAK-UHFFFAOYSA-N 0 0 306.362 0.968 10 0 DCAERN CCN(C(=O)N[C@H]1CCCN(CC)C1)[C@@H](C)CS(C)(=O)=O ZINC000112745431 395824155 /nfs/dbraw/zinc/82/41/55/395824155.db2.gz OTZXDJBQLRHIKI-STQMWFEESA-N 0 0 319.471 0.935 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000112856861 395824981 /nfs/dbraw/zinc/82/49/81/395824981.db2.gz NUBFYTZAFWZMIZ-LLVKDONJSA-N 0 0 318.377 0.934 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)CCc1cccs1 ZINC000195351692 395825616 /nfs/dbraw/zinc/82/56/16/395825616.db2.gz GYPUTPIZOHUGIG-LLVKDONJSA-N 0 0 302.421 0.831 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429032 395826191 /nfs/dbraw/zinc/82/61/91/395826191.db2.gz YNRKSRAGYFKAGN-VHSXEESVSA-N 0 0 317.415 0.472 10 0 DCAERN CC(C)[C@@H](C)NC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195429206 395826540 /nfs/dbraw/zinc/82/65/40/395826540.db2.gz HDLUMZKEOLGOQT-SNVBAGLBSA-N 0 0 317.415 0.330 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000113298335 395829252 /nfs/dbraw/zinc/82/92/52/395829252.db2.gz DVZWMYQUUUODIL-SNVBAGLBSA-N 0 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CMUQXGMHZNUZMU-UHFFFAOYSA-N 0 0 316.354 0.254 10 0 DCAERN Cc1nn[nH]c1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000225486280 395860668 /nfs/dbraw/zinc/86/06/68/395860668.db2.gz ZUZSJQNMAIIVEX-ZFWWWQNUSA-N 0 0 315.377 0.915 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CNC(=O)C3)C2)n1 ZINC000116778190 395845558 /nfs/dbraw/zinc/84/55/58/395845558.db2.gz GUZRSEHXBLWPMA-CHWSQXEVSA-N 0 0 305.382 0.270 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000116833943 395846991 /nfs/dbraw/zinc/84/69/91/395846991.db2.gz DGJDNFKMBYZIEE-YPMHNXCESA-N 0 0 324.402 0.703 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220318155 395847988 /nfs/dbraw/zinc/84/79/88/395847988.db2.gz UMMYSDYPJOHJFT-OLZOCXBDSA-N 0 0 304.412 0.190 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCc2cccs2)C1 ZINC000116933347 395849705 /nfs/dbraw/zinc/84/97/05/395849705.db2.gz CRLYSVOZQQOVRT-JTQLQIEISA-N 0 0 317.436 0.624 10 0 DCAERN O=C(c1ccc(=O)[nH]n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000221955596 395850813 /nfs/dbraw/zinc/85/08/13/395850813.db2.gz GJHZAVXOFMSYOU-WDEREUQCSA-N 0 0 309.391 0.897 10 0 DCAERN COC[C@@H](C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000117853817 395855685 /nfs/dbraw/zinc/85/56/85/395855685.db2.gz WBCPEKVICUGNCV-SNVBAGLBSA-N 0 0 300.380 0.957 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)C(C)C ZINC000224113575 395856990 /nfs/dbraw/zinc/85/69/90/395856990.db2.gz ZRAILKBXCFDOII-QWHCGFSZSA-N 0 0 315.391 0.832 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCCOCC2CC2)cn1 ZINC000194358573 395795021 /nfs/dbraw/zinc/79/50/21/395795021.db2.gz INIUDLBRCMNKKY-UHFFFAOYSA-N 0 0 309.370 0.567 10 0 DCAERN Cc1ccn(CC(=O)N2CCC(n3cncn3)CC2)c(=O)c1 ZINC000194507374 395797936 /nfs/dbraw/zinc/79/79/36/395797936.db2.gz KFUVNCVQVBRSNW-UHFFFAOYSA-N 0 0 301.350 0.612 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1C(=O)CCc1ccnn1C)C1CC1 ZINC000123875865 395898536 /nfs/dbraw/zinc/89/85/36/395898536.db2.gz DFQAPZFYIPHQTI-ZDUSSCGKSA-N 0 0 322.434 0.875 10 0 DCAERN COCCOCCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000124083503 395899936 /nfs/dbraw/zinc/89/99/36/395899936.db2.gz CRHRJKGKYIDNLV-UHFFFAOYSA-N 0 0 304.346 0.781 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000125826634 395906471 /nfs/dbraw/zinc/90/64/71/395906471.db2.gz NEKULAUNKCNABJ-CVEARBPZSA-N 0 0 307.438 0.936 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126402927 395912902 /nfs/dbraw/zinc/91/29/02/395912902.db2.gz XVQBWQBUBIUOSX-LLVKDONJSA-N 0 0 316.361 0.553 10 0 DCAERN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3COCCN3)n2)cc1 ZINC000237482087 395913286 /nfs/dbraw/zinc/91/32/86/395913286.db2.gz WVGWEQCCSUFPAJ-LBPRGKRZSA-N 0 0 317.349 0.085 10 0 DCAERN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CCS(C)(=O)=O)c1 ZINC000126560230 395913411 /nfs/dbraw/zinc/91/34/11/395913411.db2.gz AXFRYHCJTHBVFW-UHFFFAOYSA-N 0 0 323.374 0.847 10 0 DCAERN CSC[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000132680025 395927100 /nfs/dbraw/zinc/92/71/00/395927100.db2.gz YYDNNHJBVPFTBA-NEPJUHHUSA-N 0 0 302.440 0.864 10 0 DCAERN CC1(C)CN(C(=O)NCCc2nccs2)CCS1(=O)=O ZINC000118988627 395866196 /nfs/dbraw/zinc/86/61/96/395866196.db2.gz IUYLKXTYZFSLKW-UHFFFAOYSA-N 0 0 317.436 0.904 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000228064025 395870410 /nfs/dbraw/zinc/87/04/10/395870410.db2.gz UVIMNOSVANHMQD-PSASIEDQSA-N 0 0 307.803 0.903 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000120703036 395881932 /nfs/dbraw/zinc/88/19/32/395881932.db2.gz GIVHRWAIOXZDDI-AGIUHOORSA-N 0 0 310.398 0.341 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)N(C)C2)cnn1-c1ccccn1 ZINC000133243527 395928751 /nfs/dbraw/zinc/92/87/51/395928751.db2.gz ZIDLNDLMHLBYNN-LBPRGKRZSA-N 0 0 313.361 0.926 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000276447168 395998452 /nfs/dbraw/zinc/99/84/52/395998452.db2.gz GGQAGSXYHFCULS-ZDUSSCGKSA-N 0 0 300.717 0.470 10 0 DCAERN CN1C(=O)C[C@@H](N2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550893 395932154 /nfs/dbraw/zinc/93/21/54/395932154.db2.gz OUOZUUXUOKJHBS-PBHICJAKSA-N 0 0 300.358 0.918 10 0 DCAERN CN1CCO[C@H](CNC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000135441792 395940615 /nfs/dbraw/zinc/94/06/15/395940615.db2.gz KGTRHUSDWMJWNE-CQSZACIVSA-N 0 0 315.377 0.392 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000135605351 395941587 /nfs/dbraw/zinc/94/15/87/395941587.db2.gz XCZAJQFGMBLBTA-YUTCNCBUSA-N 0 0 324.402 0.889 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCCN1Cc1ccccc1 ZINC000246268890 395945677 /nfs/dbraw/zinc/94/56/77/395945677.db2.gz GZDFYZXUPYXOER-UONOGXRCSA-N 0 0 315.373 0.572 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N[C@H]2CCCOC2)[C@H]1c1cccnc1 ZINC000246313543 395947331 /nfs/dbraw/zinc/94/73/31/395947331.db2.gz DNBGCHZKVLRTSJ-KCQAQPDRSA-N 0 0 303.362 0.896 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246374364 395948338 /nfs/dbraw/zinc/94/83/38/395948338.db2.gz OEXLLHINPWYWIK-PTRXPTGYSA-N 0 0 308.284 0.990 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)CNC(=O)c1cccnc1 ZINC000136913290 395949424 /nfs/dbraw/zinc/94/94/24/395949424.db2.gz BEAGBPARUMGOHC-UHFFFAOYSA-N 0 0 301.350 0.592 10 0 DCAERN CCc1cccc2c(CC(=O)NCCC(=O)NC(N)=O)c[nH]c21 ZINC000137064864 395949808 /nfs/dbraw/zinc/94/98/08/395949808.db2.gz UPTYJPJSHSXQPP-UHFFFAOYSA-N 0 0 316.361 0.974 10 0 DCAERN CN1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000246810630 395957595 /nfs/dbraw/zinc/95/75/95/395957595.db2.gz QLEJBNLXHBKKDY-AVGNSLFASA-N 0 0 316.357 0.908 10 0 DCAERN CCN(C)[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000152117788 396000260 /nfs/dbraw/zinc/00/02/60/396000260.db2.gz TUFVUDVEBMYYMM-OCCSQVGLSA-N 0 0 303.362 0.601 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000247062957 395965535 /nfs/dbraw/zinc/96/55/35/395965535.db2.gz VKKQWUZYTVZYSB-NHCYSSNCSA-N 0 0 310.300 0.781 10 0 DCAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240943 395969839 /nfs/dbraw/zinc/96/98/39/395969839.db2.gz XXPLRYYOOXQQIW-UKRRQHHQSA-N 0 0 318.377 0.926 10 0 DCAERN COCCN1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000247261558 395970662 /nfs/dbraw/zinc/97/06/62/395970662.db2.gz YQAXWEHCESPQQV-KBPBESRZSA-N 0 0 312.458 0.831 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 ZINC000150835486 395973590 /nfs/dbraw/zinc/97/35/90/395973590.db2.gz PPDCFZYIWHDXJA-KBPBESRZSA-N 0 0 305.382 0.887 10 0 DCAERN Cc1cc(NC(=O)NC[C@@H]2CN(C)CCO2)ccc1C(N)=O ZINC000150934812 395975655 /nfs/dbraw/zinc/97/56/55/395975655.db2.gz MOWNHVLYHXXTCH-GFCCVEGCSA-N 0 0 306.366 0.546 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000150996004 395977265 /nfs/dbraw/zinc/97/72/65/395977265.db2.gz MBXDVXANNJQDJU-UHFFFAOYSA-N 0 0 324.402 0.969 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000248999391 396001151 /nfs/dbraw/zinc/00/11/51/396001151.db2.gz YOSSBUYIOQQNGI-BIMULSAOSA-N 0 0 303.355 0.956 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COCc1nc(C)no1 ZINC000151165054 395980083 /nfs/dbraw/zinc/98/00/83/395980083.db2.gz KEDASLKPWYFQKU-JTQLQIEISA-N 0 0 320.353 0.700 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC)COC ZINC000151144164 395980616 /nfs/dbraw/zinc/98/06/16/395980616.db2.gz CJGOZYCJRZSVIW-NWDGAFQWSA-N 0 0 306.428 0.732 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151323387 395983648 /nfs/dbraw/zinc/98/36/48/395983648.db2.gz PWDYOOXSSGTRAK-PBHICJAKSA-N 0 0 317.389 0.965 10 0 DCAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H]1CCCNC1=O ZINC000064098566 395983997 /nfs/dbraw/zinc/98/39/97/395983997.db2.gz DXBPMSJXHUHFKP-CMPLNLGQSA-N 0 0 319.386 0.884 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C2)cn1 ZINC000151554966 395988016 /nfs/dbraw/zinc/98/80/16/395988016.db2.gz BWUFKLWEOSKIDK-GFCCVEGCSA-N 0 0 321.425 0.667 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCCn2ncnc21 ZINC000151786464 395993260 /nfs/dbraw/zinc/99/32/60/395993260.db2.gz UIWUSBQWGUNWMS-NSHDSACASA-N 0 0 304.354 0.659 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nnc(C)n2C1)C1CCCC1 ZINC000065606097 395995034 /nfs/dbraw/zinc/99/50/34/395995034.db2.gz DGTOJDNSJBLZNS-UKRRQHHQSA-N 0 0 319.409 0.712 10 0 DCAERN CC(C)CCn1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1 ZINC000151894042 395995664 /nfs/dbraw/zinc/99/56/64/395995664.db2.gz UAADOUJSVPOTCY-LLVKDONJSA-N 0 0 303.370 0.661 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248797973 395996985 /nfs/dbraw/zinc/99/69/85/395996985.db2.gz UNHIGZANNFSZRC-YVECIDJPSA-N 0 0 307.394 0.864 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000067615231 396029207 /nfs/dbraw/zinc/02/92/07/396029207.db2.gz UMAGTOBKKGABMW-NSHDSACASA-N 0 0 304.412 0.281 10 0 DCAERN O=C(CCC(=O)c1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000154132285 396032117 /nfs/dbraw/zinc/03/21/17/396032117.db2.gz CWEPKJCJJPOXKH-HNNXBMFYSA-N 0 0 320.389 0.459 10 0 DCAERN O=c1[n-]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1 ZINC000254761859 396032329 /nfs/dbraw/zinc/03/23/29/396032329.db2.gz KKEUNBNPGVHQQB-UHFFFAOYSA-N 0 0 322.320 0.957 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000255386181 396033034 /nfs/dbraw/zinc/03/30/34/396033034.db2.gz IJBUEVFNKXRDRV-IHWYPQMZSA-N 0 0 300.355 0.894 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCn1c(=O)oc2ccccc21 ZINC000154797121 396042195 /nfs/dbraw/zinc/04/21/95/396042195.db2.gz IGNWACVHGOOQKX-GFCCVEGCSA-N 0 0 307.350 0.911 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000277073896 396047932 /nfs/dbraw/zinc/04/79/32/396047932.db2.gz PBZQMASMYQRTBN-RNCFNFMXSA-N 0 0 319.329 0.801 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000261856630 396072619 /nfs/dbraw/zinc/07/26/19/396072619.db2.gz ABACTNGNANVSDR-QWHCGFSZSA-N 0 0 323.343 0.901 10 0 DCAERN Cc1[nH]c2ccccc2c1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000155427897 396051837 /nfs/dbraw/zinc/05/18/37/396051837.db2.gz BMEXRVJRKUZHKD-ZDUSSCGKSA-N 0 0 314.345 0.733 10 0 DCAERN C[C@@H](OCC1CC1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000068288032 396052054 /nfs/dbraw/zinc/05/20/54/396052054.db2.gz QHMFOKXXCQKEOJ-HIFRSBDPSA-N 0 0 324.421 0.899 10 0 DCAERN CC[C@@H](NC(=O)[C@@H](C)C1CCOCC1)C(=O)N1CCOCC1 ZINC000155600571 396054909 /nfs/dbraw/zinc/05/49/09/396054909.db2.gz PHWLTICRLHPFKX-GXTWGEPZSA-N 0 0 312.410 0.803 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155851716 396058313 /nfs/dbraw/zinc/05/83/13/396058313.db2.gz FRNBFQDJUKEKPN-MNOVXSKESA-N 0 0 301.350 0.969 10 0 DCAERN COC(=O)c1c(C)cccc1S(=O)(=O)NCc1ccnn1C ZINC000156388608 396061085 /nfs/dbraw/zinc/06/10/85/396061085.db2.gz CCSFODDYDZZWBA-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261761900 396063076 /nfs/dbraw/zinc/06/30/76/396063076.db2.gz OBTAONXCFTXCPQ-ZDUSSCGKSA-N 0 0 305.382 0.264 10 0 DCAERN CC(C)(c1nc(I)no1)S(C)(=O)=O ZINC000158628099 396064868 /nfs/dbraw/zinc/06/48/68/396064868.db2.gz YRSQAEMLXCYZKX-UHFFFAOYSA-N 0 0 316.120 0.954 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000159189990 396067075 /nfs/dbraw/zinc/06/70/75/396067075.db2.gz LWVTWUOYLIQSET-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cncc(F)c1 ZINC000068961402 396067222 /nfs/dbraw/zinc/06/72/22/396067222.db2.gz TWVOBAMSVMXUDT-BDAKNGLRSA-N 0 0 301.343 0.495 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)C[C@H](C)O1 ZINC000068960860 396067273 /nfs/dbraw/zinc/06/72/73/396067273.db2.gz IFEMBJAKMUILLM-BETUJISGSA-N 0 0 313.423 0.910 10 0 DCAERN Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152220133 396003481 /nfs/dbraw/zinc/00/34/81/396003481.db2.gz HZQMWYOPIAEHAL-SECBINFHSA-N 0 0 317.301 0.707 10 0 DCAERN Cc1cc(C)n2nc(SC[C@@H](O)CN3CCOCC3)nc2n1 ZINC000066237649 396003614 /nfs/dbraw/zinc/00/36/14/396003614.db2.gz HUVXEEFHJDJGHP-LBPRGKRZSA-N 0 0 323.422 0.526 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1)S(C)(=O)=O ZINC000249513932 396009038 /nfs/dbraw/zinc/00/90/38/396009038.db2.gz PMULUFNXOGTZHB-ADEWGFFLSA-N 0 0 317.432 0.716 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N3CCN(C)C(=O)C3)s2)cn1 ZINC000152798006 396016146 /nfs/dbraw/zinc/01/61/46/396016146.db2.gz YJVOZWSOHLGXAJ-UHFFFAOYSA-N 0 0 305.363 0.458 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000152820172 396016733 /nfs/dbraw/zinc/01/67/33/396016733.db2.gz MENJYIFUDWRGFD-LSDHHAIUSA-N 0 0 317.389 0.543 10 0 DCAERN Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000153021096 396018506 /nfs/dbraw/zinc/01/85/06/396018506.db2.gz MHEYNHOLPGMXFF-DGCLKSJQSA-N 0 0 301.346 0.353 10 0 DCAERN Cc1ccc(C[C@H]([NH3+])[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319110 396090343 /nfs/dbraw/zinc/09/03/43/396090343.db2.gz KECAWAXFNFZHBY-SOUVJXGZSA-N 0 0 322.405 0.841 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@]3(O)CCSC3)C2)n(C)n1 ZINC000277848125 396090734 /nfs/dbraw/zinc/09/07/34/396090734.db2.gz CJGPSWUHTWOIRU-WFASDCNBSA-N 0 0 324.450 0.682 10 0 DCAERN COCCC(=O)N1CCC2(CN(C(C)=O)C[C@H]2COC)CC1 ZINC000169783744 396092645 /nfs/dbraw/zinc/09/26/45/396092645.db2.gz RACDZXJUJGLASN-AWEZNQCLSA-N 0 0 312.410 0.756 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)o1 ZINC000070141767 396100063 /nfs/dbraw/zinc/10/00/63/396100063.db2.gz STGDDPDDYKYNHG-RITPCOANSA-N 0 0 303.112 0.103 10 0 DCAERN CC1(C)COCCN1CCn1c(=O)[nH]c2ccccc2c1=O ZINC000170883615 396100180 /nfs/dbraw/zinc/10/01/80/396100180.db2.gz LZZNJQUIMIYHPK-UHFFFAOYSA-N 0 0 303.362 0.801 10 0 DCAERN NCc1nc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)no1 ZINC000262183131 396107991 /nfs/dbraw/zinc/10/79/91/396107991.db2.gz IVSHWSZCZVHSFV-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN O=S(=O)(CCNCc1cncnc1)NCc1ccccc1 ZINC000171131397 396108183 /nfs/dbraw/zinc/10/81/83/396108183.db2.gz NOGVZLRNKFNERK-UHFFFAOYSA-N 0 0 306.391 0.686 10 0 DCAERN CC(C)C(=O)N1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000278192578 396111986 /nfs/dbraw/zinc/11/19/86/396111986.db2.gz DQMXMEAECBNWDA-UHFFFAOYSA-N 0 0 303.370 0.250 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000071304604 396112839 /nfs/dbraw/zinc/11/28/39/396112839.db2.gz GHMAIPLUUAFMTO-SNVBAGLBSA-N 0 0 317.363 0.732 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOC2)cc1Cl ZINC000171568537 396118875 /nfs/dbraw/zinc/11/88/75/396118875.db2.gz JOXMFUSYNZAFJI-SECBINFHSA-N 0 0 318.782 0.896 10 0 DCAERN COCCN(C)S(=O)(=O)NCCCc1nc(C(C)C)no1 ZINC000171764426 396124427 /nfs/dbraw/zinc/12/44/27/396124427.db2.gz VPKHKIUCVJTCQE-UHFFFAOYSA-N 0 0 320.415 0.538 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000171782297 396125544 /nfs/dbraw/zinc/12/55/44/396125544.db2.gz BQHJESIKJOZKFI-CYBMUJFWSA-N 0 0 315.373 0.766 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)c1 ZINC000171840521 396126113 /nfs/dbraw/zinc/12/61/13/396126113.db2.gz CSHFCYXSSBGUTB-CHWSQXEVSA-N 0 0 323.397 0.079 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1Cc1c(Br)cnn1C ZINC000278467246 396126485 /nfs/dbraw/zinc/12/64/85/396126485.db2.gz PYCBQAAHOZLPID-MRVPVSSYSA-N 0 0 322.228 0.802 10 0 DCAERN NS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)cc1 ZINC000171990672 396128326 /nfs/dbraw/zinc/12/83/26/396128326.db2.gz QWKIONBYFSRAPC-UHFFFAOYSA-N 0 0 305.350 0.721 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)S(C)(=O)=O ZINC000172141095 396128801 /nfs/dbraw/zinc/12/88/01/396128801.db2.gz RSPBVBXBEKDUOR-QWRGUYRKSA-N 0 0 304.412 0.279 10 0 DCAERN COc1ccnc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173880146 396136248 /nfs/dbraw/zinc/13/62/48/396136248.db2.gz BTCVEKQSSCVJFG-SWLSCSKDSA-N 0 0 305.378 0.883 10 0 DCAERN Cc1cccc2nc(CNC(=O)N3CCNC(=O)CC3)cn21 ZINC000069479789 396080573 /nfs/dbraw/zinc/08/05/73/396080573.db2.gz VTNDFHKSNJHUMW-UHFFFAOYSA-N 0 0 301.350 0.674 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000279018046 396146570 /nfs/dbraw/zinc/14/65/70/396146570.db2.gz VINSSTDFPDMLKN-LLVKDONJSA-N 0 0 319.409 0.982 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000073932900 396153502 /nfs/dbraw/zinc/15/35/02/396153502.db2.gz OPDHZOLORQCAHB-RYUDHWBXSA-N 0 0 306.428 0.325 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000176293791 396153651 /nfs/dbraw/zinc/15/36/51/396153651.db2.gz KXSYXVCDUASRLY-MWLCHTKSSA-N 0 0 317.349 0.949 10 0 DCAERN CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176313155 396153970 /nfs/dbraw/zinc/15/39/70/396153970.db2.gz QEIZEIBLVQMLIW-STQMWFEESA-N 0 0 317.455 0.259 10 0 DCAERN CC(C)(CNC(=O)C[C@H]1CCCO1)N1CCS(=O)CC1 ZINC000074135671 396158535 /nfs/dbraw/zinc/15/85/35/396158535.db2.gz OETBAWCVTQEYPI-GFCCVEGCSA-N 0 0 302.440 0.515 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)s1 ZINC000176933266 396163526 /nfs/dbraw/zinc/16/35/26/396163526.db2.gz SOSPMUHRVLEZSQ-VIFPVBQESA-N 0 0 303.409 0.659 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000177074968 396166361 /nfs/dbraw/zinc/16/63/61/396166361.db2.gz JLSMOQJQZMKHNB-NSHDSACASA-N 0 0 302.386 0.970 10 0 DCAERN CN(C)c1nc(N)nc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835508 396210715 /nfs/dbraw/zinc/21/07/15/396210715.db2.gz GLUTYHOQCYGSAP-JTQLQIEISA-N 0 0 322.413 0.683 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(c2cnccn2)CC1 ZINC000279380948 396170549 /nfs/dbraw/zinc/17/05/49/396170549.db2.gz XXKHHSIPZXNLPV-UHFFFAOYSA-N 0 0 311.411 0.376 10 0 DCAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2ccon2)C1 ZINC000262710996 396174833 /nfs/dbraw/zinc/17/48/33/396174833.db2.gz LMUYIUXFQIBSFQ-UHFFFAOYSA-N 0 0 307.350 0.661 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177519601 396178161 /nfs/dbraw/zinc/17/81/61/396178161.db2.gz SIEHDAWFSNPGBL-NWDGAFQWSA-N 0 0 314.411 0.490 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1C ZINC000075531240 396180932 /nfs/dbraw/zinc/18/09/32/396180932.db2.gz UBWUNEPFPQIWSP-WCABBAIRSA-N 0 0 307.375 0.638 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC000075602734 396181820 /nfs/dbraw/zinc/18/18/20/396181820.db2.gz YVRYEVVWUADCSD-GFCCVEGCSA-N 0 0 314.411 0.493 10 0 DCAERN CC1(O)CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000177769574 396183100 /nfs/dbraw/zinc/18/31/00/396183100.db2.gz QIFJFFVACINIJF-UHFFFAOYSA-N 0 0 301.346 0.770 10 0 DCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000075980637 396191049 /nfs/dbraw/zinc/19/10/49/396191049.db2.gz QRWZDOWLZNFOKW-DGCLKSJQSA-N 0 0 311.407 0.981 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CC1 ZINC000178414900 396195790 /nfs/dbraw/zinc/19/57/90/396195790.db2.gz JOYPPBXTMLTDLD-SECBINFHSA-N 0 0 322.386 0.870 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H]2CC(F)(F)CN2)CC1(C)C ZINC000263014755 396197611 /nfs/dbraw/zinc/19/76/11/396197611.db2.gz QFOSZYZKTHLURZ-SNVBAGLBSA-N 0 0 303.353 0.841 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)N2CCN(C)CC2)c(C)s1 ZINC000178599333 396200329 /nfs/dbraw/zinc/20/03/29/396200329.db2.gz LNBPTZMABFUANP-UHFFFAOYSA-N 0 0 310.423 0.654 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)NCc1ccc(CO)c(F)c1 ZINC000178624546 396201879 /nfs/dbraw/zinc/20/18/79/396201879.db2.gz WCXWHZOTBVBNJN-GFCCVEGCSA-N 0 0 303.355 0.916 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263171293 396204471 /nfs/dbraw/zinc/20/44/71/396204471.db2.gz FTBRQQIMXYZVTL-NWDGAFQWSA-N 0 0 309.316 0.905 10 0 DCAERN Cn1c(CNC(=O)c2ccc(C(N)=O)nc2)nnc1C1CCC1 ZINC000184005983 396281167 /nfs/dbraw/zinc/28/11/67/396281167.db2.gz BWEUTMDEBDLOGU-UHFFFAOYSA-N 0 0 314.349 0.507 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCCC(=O)N(C)C ZINC000181060695 396237086 /nfs/dbraw/zinc/23/70/86/396237086.db2.gz NIECNEIARJEGPT-UHFFFAOYSA-N 0 0 309.414 0.747 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)ccc1=O ZINC000077940049 396237135 /nfs/dbraw/zinc/23/71/35/396237135.db2.gz WPPPUVZXRJXMQN-WCQYABFASA-N 0 0 321.377 0.474 10 0 DCAERN COc1ccccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181774751 396241989 /nfs/dbraw/zinc/24/19/89/396241989.db2.gz WUUCVPMMEAYHHF-UHFFFAOYSA-N 0 0 303.322 0.432 10 0 DCAERN Cc1ccc(C[N@H+](CCO)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000181969785 396244726 /nfs/dbraw/zinc/24/47/26/396244726.db2.gz ICLUHAQRRUHFHO-MRXNPFEDSA-N 0 0 306.406 0.773 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000264111050 396255644 /nfs/dbraw/zinc/25/56/44/396255644.db2.gz ISFDQDOVDXOKCL-ZDUSSCGKSA-N 0 0 302.378 0.752 10 0 DCAERN Cc1ccc(-n2cc(C(=O)NCCCn3ccnn3)nn2)cc1 ZINC000183015730 396258862 /nfs/dbraw/zinc/25/88/62/396258862.db2.gz ZKYLAWQBTDJIHK-UHFFFAOYSA-N 0 0 311.349 0.987 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cc(C2CCCC2)nn1C ZINC000183059161 396260084 /nfs/dbraw/zinc/26/00/84/396260084.db2.gz QVRPAWWREUZPNN-SNVBAGLBSA-N 0 0 308.382 0.903 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCCn2ccnn2)c1 ZINC000183159839 396264169 /nfs/dbraw/zinc/26/41/69/396264169.db2.gz CKURDRDCAMAUKI-UHFFFAOYSA-N 0 0 310.379 0.796 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCc1nnc(C)n1C1CC1)C(C)C ZINC000183422332 396270460 /nfs/dbraw/zinc/27/04/60/396270460.db2.gz JVCLKIXQFLNZAL-GFCCVEGCSA-N 0 0 309.370 0.918 10 0 DCAERN CC1(Cn2cc(C(=O)NC[C@H]3CCCC[C@H]3O)nn2)COC1 ZINC000183705204 396273097 /nfs/dbraw/zinc/27/30/97/396273097.db2.gz IWQLZHLXQXLXFA-DGCLKSJQSA-N 0 0 308.382 0.596 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000183988284 396279992 /nfs/dbraw/zinc/27/99/92/396279992.db2.gz DPFRXLCVVGFUFM-PELKAZGASA-N 0 0 307.325 0.991 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)c1 ZINC000263317308 396213404 /nfs/dbraw/zinc/21/34/04/396213404.db2.gz ZRLYHOSJCJPIDC-VXGBXAGGSA-N 0 0 314.336 0.416 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064118 396283493 /nfs/dbraw/zinc/28/34/93/396283493.db2.gz GJFUGIUWZJPQMD-STQMWFEESA-N 0 0 321.425 0.910 10 0 DCAERN Cn1ccnc1C[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000179295386 396225058 /nfs/dbraw/zinc/22/50/58/396225058.db2.gz VWJBHXJABIWOQH-GFCCVEGCSA-N 0 0 300.428 0.353 10 0 DCAERN CC(C)[C@H](C)CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000179649177 396228495 /nfs/dbraw/zinc/22/84/95/396228495.db2.gz VVFMQDHNQNINHF-NEPJUHHUSA-N 0 0 305.444 0.954 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(C3CC3)CC2)O1 ZINC000179714573 396229507 /nfs/dbraw/zinc/22/95/07/396229507.db2.gz GQMHKNOQJISJFE-UONOGXRCSA-N 0 0 324.425 0.112 10 0 DCAERN Cc1nc(C)c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)nc1C ZINC000184000033 396280875 /nfs/dbraw/zinc/28/08/75/396280875.db2.gz OVLINYIWQILRDZ-CQSZACIVSA-N 0 0 304.394 0.995 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)ccc1C ZINC000180615905 396233672 /nfs/dbraw/zinc/23/36/72/396233672.db2.gz ABSRBWGHPUJXCA-UHFFFAOYSA-N 0 0 303.362 0.797 10 0 DCAERN O=C(NCCC[N@@H+]1CCC[C@H](n2cncn2)C1)C(F)(F)F ZINC000180621991 396233857 /nfs/dbraw/zinc/23/38/57/396233857.db2.gz WOXDWWWFOSNQPX-JTQLQIEISA-N 0 0 305.304 0.984 10 0 DCAERN COCCN(CC(=O)N(C)C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184983167 396312491 /nfs/dbraw/zinc/31/24/91/396312491.db2.gz JYSOLZCTXNCQPB-UHFFFAOYSA-N 0 0 321.381 0.612 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NC2CCSCC2)CC1 ZINC000185011892 396314305 /nfs/dbraw/zinc/31/43/05/396314305.db2.gz ORVQJFBYOSPPEH-CYBMUJFWSA-N 0 0 301.456 0.980 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H](C)C[S@](C)=O)cc1 ZINC000185052604 396316218 /nfs/dbraw/zinc/31/62/18/396316218.db2.gz VUKULZAQXFLSIH-CWKPULSASA-N 0 0 312.391 0.308 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000185077000 396316869 /nfs/dbraw/zinc/31/68/69/396316869.db2.gz IKQOBRPSORVINJ-CQSZACIVSA-N 0 0 320.455 0.397 10 0 DCAERN COc1cc(N2CCN(CC(=O)N[C@H](C)C(C)C)CC2)ncn1 ZINC000184073643 396283937 /nfs/dbraw/zinc/28/39/37/396283937.db2.gz RQTMQHIFBWFYGQ-CYBMUJFWSA-N 0 0 321.425 0.768 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cccs2)C(=O)C1)n1cncn1 ZINC000184095182 396285560 /nfs/dbraw/zinc/28/55/60/396285560.db2.gz DBNSVWLPGBYCRI-SNVBAGLBSA-N 0 0 305.363 0.776 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 ZINC000080759055 396286358 /nfs/dbraw/zinc/28/63/58/396286358.db2.gz HPFWBHLFHGZUBJ-UWVGGRQHSA-N 0 0 321.424 0.099 10 0 DCAERN Cn1c(=O)c2ccc(C(=O)N3CCC34CCC4)nc2n(C)c1=O ZINC000080806435 396286858 /nfs/dbraw/zinc/28/68/58/396286858.db2.gz ZLFIOFLUAOUAIM-UHFFFAOYSA-N 0 0 314.345 0.401 10 0 DCAERN COc1cc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)ncn1 ZINC000184385215 396293060 /nfs/dbraw/zinc/29/30/60/396293060.db2.gz KPXNWEPIPKGCQD-UHFFFAOYSA-N 0 0 317.353 0.573 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000081375526 396299732 /nfs/dbraw/zinc/29/97/32/396299732.db2.gz PHZPUTOHZPKXRS-REWJHTLYSA-N 0 0 321.421 0.903 10 0 DCAERN CCOCc1ccccc1CNC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185176337 396320228 /nfs/dbraw/zinc/32/02/28/396320228.db2.gz WGZVIZYNRGRYQZ-HZPDHXFCSA-N 0 0 322.405 0.267 10 0 DCAERN COCCCCS(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000184648268 396301526 /nfs/dbraw/zinc/30/15/26/396301526.db2.gz ONNGBKOZFCCAHG-UHFFFAOYSA-N 0 0 314.407 0.730 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000265288908 396305928 /nfs/dbraw/zinc/30/59/28/396305928.db2.gz COLFXCZUMAMBLQ-LLVKDONJSA-N 0 0 301.368 0.413 10 0 DCAERN CCc1ccc([C@@H](COC)NC[C@@H](O)CN2CCOCC2)o1 ZINC000184800668 396307224 /nfs/dbraw/zinc/30/72/24/396307224.db2.gz LZZYENIWZGGORZ-UKRRQHHQSA-N 0 0 312.410 0.812 10 0 DCAERN O=C1[C@H](N2CCO[C@]3(CCOC3)C2)CCN1CC(F)(F)F ZINC000185169714 396320543 /nfs/dbraw/zinc/32/05/43/396320543.db2.gz YYSYQGMRNVLCDO-ZYHUDNBSSA-N 0 0 308.300 0.641 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@H](CO)CC(C)C ZINC000185431622 396327538 /nfs/dbraw/zinc/32/75/38/396327538.db2.gz BNGJVBFHMZADEM-NEPJUHHUSA-N 0 0 308.444 0.858 10 0 DCAERN CCC1(CC)CN(CCC(=O)NC(=O)NC)CC[S@]1=O ZINC000185253570 396323204 /nfs/dbraw/zinc/32/32/04/396323204.db2.gz OXXWWISDHPTBAU-HXUWFJFHSA-N 0 0 303.428 0.455 10 0 DCAERN CCc1nc(CN2CCN(Cc3nc(N(C)C)no3)CC2)no1 ZINC000185275943 396324095 /nfs/dbraw/zinc/32/40/95/396324095.db2.gz ZHVJLZXEDLFKDA-UHFFFAOYSA-N 0 0 321.385 0.399 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000185308898 396324294 /nfs/dbraw/zinc/32/42/94/396324294.db2.gz IULDBPNVBHTJSF-QWHCGFSZSA-N 0 0 311.407 0.768 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000185290822 396324740 /nfs/dbraw/zinc/32/47/40/396324740.db2.gz YVBZSMXPUMPEKQ-GFCCVEGCSA-N 0 0 318.373 0.916 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2nc(C)cs2)C1 ZINC000185352029 396325828 /nfs/dbraw/zinc/32/58/28/396325828.db2.gz MMWYDYPPZWVLNB-SECBINFHSA-N 0 0 312.395 0.669 10 0 DCAERN CC(C)C[C@@H](CO)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000185363246 396325921 /nfs/dbraw/zinc/32/59/21/396325921.db2.gz RGIQPGHKLHVYGE-LBPRGKRZSA-N 0 0 318.443 0.037 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(-c2cnn(C)c2)no1 ZINC000185527524 396330050 /nfs/dbraw/zinc/33/00/50/396330050.db2.gz VPGBXTGBOWELQQ-MFKMUULPSA-N 0 0 306.322 0.183 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000185553382 396330657 /nfs/dbraw/zinc/33/06/57/396330657.db2.gz WCAPQWGFDPGXGY-HNNXBMFYSA-N 0 0 308.309 0.782 10 0 DCAERN O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N1C[C@@H](O)C[C@H]1CO ZINC000185585135 396330664 /nfs/dbraw/zinc/33/06/64/396330664.db2.gz QZDINDKCDNZYLU-ZQDZILKHSA-N 0 0 306.362 0.654 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000185732715 396333985 /nfs/dbraw/zinc/33/39/85/396333985.db2.gz ZPZDAMOEABVGCY-GRYCIOLGSA-N 0 0 316.423 0.088 10 0 DCAERN COCCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185494243 396328932 /nfs/dbraw/zinc/32/89/32/396328932.db2.gz NYKODMHXYHHWIJ-UHFFFAOYSA-N 0 0 309.370 0.875 10 0 DCAERN O=C(c1cccc(-n2ccnn2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000186076527 396340724 /nfs/dbraw/zinc/34/07/24/396340724.db2.gz FJARDHOXQPRUEE-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186300796 396347655 /nfs/dbraw/zinc/34/76/55/396347655.db2.gz OKXARVORGMWZIA-UHFFFAOYSA-N 0 0 319.409 0.830 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000284879531 396347658 /nfs/dbraw/zinc/34/76/58/396347658.db2.gz ZGUYXDJWIIOGPM-JTQLQIEISA-N 0 0 324.811 0.402 10 0 DCAERN O=C(CN1CCN(c2cccs2)C(=O)C1)Nc1nncs1 ZINC000186071690 396340879 /nfs/dbraw/zinc/34/08/79/396340879.db2.gz IEJLXKBIZTYXSK-UHFFFAOYSA-N 0 0 323.403 0.887 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)co1 ZINC000187805961 396374286 /nfs/dbraw/zinc/37/42/86/396374286.db2.gz MXLAQRSIEAOUMZ-ONGXEEELSA-N 0 0 316.379 0.685 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000186662432 396354935 /nfs/dbraw/zinc/35/49/35/396354935.db2.gz WYJPBQGSCROMRM-VXGBXAGGSA-N 0 0 308.382 0.628 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000285816011 396355399 /nfs/dbraw/zinc/35/53/99/396355399.db2.gz ZMKSFIBGOJVABS-JOYOIKCWSA-N 0 0 323.422 0.289 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCc1nc(C)no1 ZINC000186769240 396357475 /nfs/dbraw/zinc/35/74/75/396357475.db2.gz QZTGPLQSPYPFPM-MRVPVSSYSA-N 0 0 310.276 0.875 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186943692 396360199 /nfs/dbraw/zinc/36/01/99/396360199.db2.gz HJGQWGTTZCLKBS-UHFFFAOYSA-N 0 0 312.333 0.712 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000268652461 396364912 /nfs/dbraw/zinc/36/49/12/396364912.db2.gz PGHKPYFHKCQNEA-XHDPSFHLSA-N 0 0 323.397 0.154 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187238755 396365105 /nfs/dbraw/zinc/36/51/05/396365105.db2.gz BSQOWVSEQQHBNF-RKDXNWHRSA-N 0 0 317.349 0.351 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187186065 396365273 /nfs/dbraw/zinc/36/52/73/396365273.db2.gz WSAKGDHKBDVSCF-VIFPVBQESA-N 0 0 305.382 0.710 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000187291629 396366548 /nfs/dbraw/zinc/36/65/48/396366548.db2.gz AUAJEHXVBNZMJG-UHFFFAOYSA-N 0 0 323.418 0.793 10 0 DCAERN CNC(=O)CC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000187749451 396373343 /nfs/dbraw/zinc/37/33/43/396373343.db2.gz QSHKSQJKFMVVFN-SNVBAGLBSA-N 0 0 302.334 0.974 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000285717068 396352402 /nfs/dbraw/zinc/35/24/02/396352402.db2.gz XSIUIWLJDWGSND-WBMJQRKESA-N 0 0 304.346 0.392 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCc3c2cccc3O)C1 ZINC000286235036 396382706 /nfs/dbraw/zinc/38/27/06/396382706.db2.gz KONCQFLCQDIODN-RHSMWYFYSA-N 0 0 318.373 0.869 10 0 DCAERN Cc1cc(N2CCN(C(=O)Nc3nccn(C)c3=O)CC2)n[nH]1 ZINC000188615659 396383437 /nfs/dbraw/zinc/38/34/37/396383437.db2.gz ZEZTWOCDJWWQIF-UHFFFAOYSA-N 0 0 317.353 0.166 10 0 DCAERN CCN(CC)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cn1 ZINC000188643267 396384293 /nfs/dbraw/zinc/38/42/93/396384293.db2.gz REXHRSDXCWQAOH-ZIAGYGMSSA-N 0 0 320.393 0.848 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)C2CN(C(C)=O)C2)C12CCOCC2 ZINC000188670102 396384356 /nfs/dbraw/zinc/38/43/56/396384356.db2.gz VBVKZAJKIBCIQL-KBPBESRZSA-N 0 0 310.394 0.555 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCCCCC2=O)CCN1CCO ZINC000188700020 396384979 /nfs/dbraw/zinc/38/49/79/396384979.db2.gz MMVFSEYDSLUANN-AWEZNQCLSA-N 0 0 311.426 0.304 10 0 DCAERN COCCN1CCCN(C(=O)Cc2c(C)n[nH]c2C)CC1=O ZINC000189057791 396390513 /nfs/dbraw/zinc/39/05/13/396390513.db2.gz BUJHTQQKRZAZPU-UHFFFAOYSA-N 0 0 308.382 0.276 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(C)nc1C ZINC000189058666 396390754 /nfs/dbraw/zinc/39/07/54/396390754.db2.gz JQMHUUNFJCBGGC-ZDUSSCGKSA-N 0 0 312.391 0.470 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189131327 396391282 /nfs/dbraw/zinc/39/12/82/396391282.db2.gz ZKKVUHYERWJZOY-UFGOTCBOSA-N 0 0 324.352 0.993 10 0 DCAERN CN1CCC(=O)Nc2cc(C(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000269173280 396391710 /nfs/dbraw/zinc/39/17/10/396391710.db2.gz IQWQTBGMTXQKPG-LBPRGKRZSA-N 0 0 319.361 0.298 10 0 DCAERN COCc1ccccc1CNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189274782 396392752 /nfs/dbraw/zinc/39/27/52/396392752.db2.gz HYBMGRAIDNVMSY-CYBMUJFWSA-N 0 0 319.405 0.660 10 0 DCAERN C[C@H](O)CN(C(=O)C[C@H]1C(=O)Nc2ccccc21)[C@@H](C)CO ZINC000189275674 396392942 /nfs/dbraw/zinc/39/29/42/396392942.db2.gz DZFYJDKMXKOXEE-GMXVVIOVSA-N 0 0 306.362 0.703 10 0 DCAERN Cn1ncc(C(=O)N2CCCN(C)C(=O)C2)c1-n1cccc1 ZINC000189758063 396398440 /nfs/dbraw/zinc/39/84/40/396398440.db2.gz VLWHJBXCILLHPO-UHFFFAOYSA-N 0 0 301.350 0.515 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189762682 396398787 /nfs/dbraw/zinc/39/87/87/396398787.db2.gz GVLBCVQCWPBUOI-AWEZNQCLSA-N 0 0 321.425 0.918 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCc3nc(C)no3)CC2)n[nH]1 ZINC000189761911 396398792 /nfs/dbraw/zinc/39/87/92/396398792.db2.gz MFBFBNDLYJMFCB-UHFFFAOYSA-N 0 0 319.369 0.484 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1nc(-c2ccncc2)no1 ZINC000189972769 396401787 /nfs/dbraw/zinc/40/17/87/396401787.db2.gz QJHWUTAYEKFAEO-MWLCHTKSSA-N 0 0 324.362 0.728 10 0 DCAERN O=C(CCNC(=O)N1CC(NC(=O)C2CC2)C1)N1CCCCC1 ZINC000190198682 396402875 /nfs/dbraw/zinc/40/28/75/396402875.db2.gz VWUNONKWBNVJFS-UHFFFAOYSA-N 0 0 322.409 0.309 10 0 DCAERN CCN1CN(C(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1=O ZINC000190519885 396406988 /nfs/dbraw/zinc/40/69/88/396406988.db2.gz GIVUXFNADLEYNL-CYBMUJFWSA-N 0 0 318.377 0.743 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc3[nH]cnc3c2)CC1=O ZINC000190623929 396408946 /nfs/dbraw/zinc/40/89/46/396408946.db2.gz AVYNGIZEBDYMEC-UHFFFAOYSA-N 0 0 316.361 0.884 10 0 DCAERN COCCN1CCCN(C[C@H](O)COc2ccccc2)CC1=O ZINC000190762060 396411329 /nfs/dbraw/zinc/41/13/29/396411329.db2.gz XXWJDWFMQDQRGJ-HNNXBMFYSA-N 0 0 322.405 0.607 10 0 DCAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000190837053 396411683 /nfs/dbraw/zinc/41/16/83/396411683.db2.gz JCOJXCFPACWADS-CYBMUJFWSA-N 0 0 316.427 0.282 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190800095 396411834 /nfs/dbraw/zinc/41/18/34/396411834.db2.gz UUEMFUVTFKZFEP-YPMHNXCESA-N 0 0 323.397 0.511 10 0 DCAERN COCCN1CCCN([C@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803936 396411848 /nfs/dbraw/zinc/41/18/48/396411848.db2.gz LATKMEUCZCYHAI-CYBMUJFWSA-N 0 0 311.426 0.614 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190991766 396413848 /nfs/dbraw/zinc/41/38/48/396413848.db2.gz ZHJAZBLLKHNEQM-LLVKDONJSA-N 0 0 314.411 0.438 10 0 DCAERN CN1CCCN(C(=O)C(=O)N2CCc3c2cccc3F)CC1=O ZINC000191042439 396414361 /nfs/dbraw/zinc/41/43/61/396414361.db2.gz NCVUOPYYUMKXBH-UHFFFAOYSA-N 0 0 319.336 0.406 10 0 DCAERN C[C@@H](C(=O)NCCc1cccs1)N1CCCN(C)C(=O)C1 ZINC000191134968 396415855 /nfs/dbraw/zinc/41/58/55/396415855.db2.gz AMCNCMJOCRWNOS-LBPRGKRZSA-N 0 0 309.435 0.959 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCCN(C)C(=O)C1 ZINC000191131339 396416126 /nfs/dbraw/zinc/41/61/26/396416126.db2.gz VYZJNSYGDQSLRE-LBPRGKRZSA-N 0 0 307.369 0.995 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000191276490 396418360 /nfs/dbraw/zinc/41/83/60/396418360.db2.gz XPGCZLYYXXFTEW-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191521790 396420459 /nfs/dbraw/zinc/42/04/59/396420459.db2.gz CPQZNCONDMUERJ-NSHDSACASA-N 0 0 321.425 0.965 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3scnc3c2)CC1=O ZINC000191513082 396420637 /nfs/dbraw/zinc/42/06/37/396420637.db2.gz UEMNXCIOMAOUCQ-UHFFFAOYSA-N 0 0 318.358 0.883 10 0 DCAERN CCN1CN(CC(=O)NCCc2ccccc2OC)CC1=O ZINC000191557167 396421160 /nfs/dbraw/zinc/42/11/60/396421160.db2.gz BJOAVXBDLZUVGW-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1cnc2c(cnn2C)c1OC ZINC000191574944 396421798 /nfs/dbraw/zinc/42/17/98/396421798.db2.gz BNYLXUBSYCAMIA-VIFPVBQESA-N 0 0 319.365 0.574 10 0 DCAERN O=C(NCCOCC(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000191634336 396422883 /nfs/dbraw/zinc/42/28/83/396422883.db2.gz XZJHALZVXDYYGX-NSHDSACASA-N 0 0 307.341 0.384 10 0 DCAERN CCCC(=O)NCC(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C ZINC000191703763 396423446 /nfs/dbraw/zinc/42/34/46/396423446.db2.gz PTSBQJFDWGZAKO-IAQYHMDHSA-N 0 0 300.399 0.585 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@H](CO)O1 ZINC000191785281 396425294 /nfs/dbraw/zinc/42/52/94/396425294.db2.gz IXHLFDGIONPETC-TVQRCGJNSA-N 0 0 300.305 0.985 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC1CC1)c1cn(-c2ccccc2)nn1 ZINC000191909964 396426946 /nfs/dbraw/zinc/42/69/46/396426946.db2.gz XPVFCJDWLKXBDL-NSHDSACASA-N 0 0 313.361 0.971 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCCN(C)C(=O)C1 ZINC000191905051 396427136 /nfs/dbraw/zinc/42/71/36/396427136.db2.gz XFNZSQWGBJCADS-UHFFFAOYSA-N 0 0 304.350 0.790 10 0 DCAERN COC(=O)CNC(=O)CN1CC2(CCOCC2)c2ccccc21 ZINC000192281613 396430705 /nfs/dbraw/zinc/43/07/05/396430705.db2.gz YGODHDALPGGVRF-UHFFFAOYSA-N 0 0 318.373 0.844 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCCSCC1 ZINC000287970206 396434757 /nfs/dbraw/zinc/43/47/57/396434757.db2.gz ACFNIRGAMIFCKV-NSHDSACASA-N 0 0 323.422 0.503 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCOCCO ZINC000192692689 396435727 /nfs/dbraw/zinc/43/57/27/396435727.db2.gz KGOKOKAMLZSEBR-DZGCQCFKSA-N 0 0 322.405 0.956 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CC(=O)N(C)C(=O)C1 ZINC000192790300 396437600 /nfs/dbraw/zinc/43/76/00/396437600.db2.gz RABLMDGHGFMRQA-UHFFFAOYSA-N 0 0 304.281 0.583 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000192923029 396440429 /nfs/dbraw/zinc/44/04/29/396440429.db2.gz XGNLBYVJYHMQME-NEPJUHHUSA-N 0 0 316.427 0.343 10 0 DCAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cn2cn[nH]c2=O)C1 ZINC000192944157 396441192 /nfs/dbraw/zinc/44/11/92/396441192.db2.gz FWTPIBWAKSFFPG-CQSZACIVSA-N 0 0 310.354 0.009 10 0 DCAERN CCCN1CCCN(C(=O)c2cc(C(N)=O)cn2C)CC1=O ZINC000188161535 396379709 /nfs/dbraw/zinc/37/97/09/396379709.db2.gz PTHXRHJOLGVGKA-UHFFFAOYSA-N 0 0 306.366 0.209 10 0 DCAERN CCC(=O)N1CCCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000372213730 396497196 /nfs/dbraw/zinc/49/71/96/396497196.db2.gz ZMCNHHAIRCIXAQ-LBPRGKRZSA-N 0 0 303.428 0.660 10 0 DCAERN CNC(=O)C1(C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000580987029 396516187 /nfs/dbraw/zinc/51/61/87/396516187.db2.gz FFCYMBRPJSTMJZ-AWEZNQCLSA-N 0 0 318.373 0.819 10 0 DCAERN Cn1nnc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000193494076 396452599 /nfs/dbraw/zinc/45/25/99/396452599.db2.gz WQFMLCIJCIIYMR-RISCZKNCSA-N 0 0 320.784 0.925 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN4CCOC[C@@H]4C3)ccc21 ZINC000371783068 396476712 /nfs/dbraw/zinc/47/67/12/396476712.db2.gz FNYXGHHGGMVOQA-LBPRGKRZSA-N 0 0 301.350 0.125 10 0 DCAERN CN(Cc1ccccc1F)C(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000371817331 396477520 /nfs/dbraw/zinc/47/75/20/396477520.db2.gz VSPHWAGSQUXNNU-HNNXBMFYSA-N 0 0 321.396 0.801 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)N1CCc2ccccc2C1 ZINC000371815344 396477609 /nfs/dbraw/zinc/47/76/09/396477609.db2.gz HZNMNCWBXIQTNQ-QGZVFWFLSA-N 0 0 315.417 0.588 10 0 DCAERN O=C(NCCCNc1ccccn1)N1CCN2CCOC[C@H]2C1 ZINC000371877074 396479260 /nfs/dbraw/zinc/47/92/60/396479260.db2.gz RXPLDLQAFQAQCM-CQSZACIVSA-N 0 0 319.409 0.610 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CCN2CCOC[C@H]2C1 ZINC000371951959 396480843 /nfs/dbraw/zinc/48/08/43/396480843.db2.gz BCHKYDPVOCDBOJ-GFCCVEGCSA-N 0 0 300.355 0.531 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C3CC3)C2)cs1 ZINC000372480830 396521131 /nfs/dbraw/zinc/52/11/31/396521131.db2.gz DLJCJKAUSMRBES-SNVBAGLBSA-N 0 0 316.404 0.647 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@]1(C)CC1(F)F ZINC000594849878 396527996 /nfs/dbraw/zinc/52/79/96/396527996.db2.gz AMHMXEAKUVFOGP-VIFPVBQESA-N 0 0 300.327 0.361 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000594852560 396528014 /nfs/dbraw/zinc/52/80/14/396528014.db2.gz RFSYOLFWCOSYHA-WDEREUQCSA-N 0 0 308.400 0.273 10 0 DCAERN Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784170 292083202 /nfs/dbraw/zinc/08/32/02/292083202.db2.gz BWAGEPDGEHWFEH-CQSZACIVSA-N 0 0 318.373 0.979 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000372587195 396529888 /nfs/dbraw/zinc/52/98/88/396529888.db2.gz VNDOSZIBYJPXMJ-LOWDOPEQSA-N 0 0 323.393 0.590 10 0 DCAERN C=CC(=O)NCCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000294168369 396658386 /nfs/dbraw/zinc/65/83/86/396658386.db2.gz SIZFCDKPPMCSHF-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000562032318 396650312 /nfs/dbraw/zinc/65/03/12/396650312.db2.gz ARQRWUXGUHEABA-HUUCEWRRSA-N 0 0 323.437 0.614 10 0 DCAERN Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)c(=O)[nH]1 ZINC000585733838 396651537 /nfs/dbraw/zinc/65/15/37/396651537.db2.gz IWTGDJQSNIVWFN-UHFFFAOYSA-N 0 0 313.379 0.251 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000373469428 396593165 /nfs/dbraw/zinc/59/31/65/396593165.db2.gz ZSUKTKFCVVDBNT-LLVKDONJSA-N 0 0 304.412 0.774 10 0 DCAERN COC[C@](C)(O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000531499868 396597258 /nfs/dbraw/zinc/59/72/58/396597258.db2.gz YIWNCOOLRMHSOP-INIZCTEOSA-N 0 0 312.410 0.635 10 0 DCAERN CCS(=O)(=O)CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373629776 396604338 /nfs/dbraw/zinc/60/43/38/396604338.db2.gz PELGOEJIBWGCLF-ZDUSSCGKSA-N 0 0 305.396 0.218 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373702376 396608651 /nfs/dbraw/zinc/60/86/51/396608651.db2.gz OTEHRBGXJFEFBO-ABAIWWIYSA-N 0 0 313.398 0.620 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000582584824 396611324 /nfs/dbraw/zinc/61/13/24/396611324.db2.gz NUABHUJVEZIZMV-UHFFFAOYSA-N 0 0 315.337 0.611 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000373746343 396611430 /nfs/dbraw/zinc/61/14/30/396611430.db2.gz NVFBIGOSADQYFQ-RKDXNWHRSA-N 0 0 324.410 0.226 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373779973 396613462 /nfs/dbraw/zinc/61/34/62/396613462.db2.gz BKZXOLLBIQSRNU-OAHLLOKOSA-N 0 0 322.365 0.155 10 0 DCAERN Cc1csc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000373844066 396617840 /nfs/dbraw/zinc/61/78/40/396617840.db2.gz ILVVYNVOBPBWRG-ZDUSSCGKSA-N 0 0 323.378 0.064 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CC[C@H]2c2ccccc2F)nn1 ZINC000374042477 396634656 /nfs/dbraw/zinc/63/46/56/396634656.db2.gz LRIBVCZGUDHYPR-LBPRGKRZSA-N 0 0 303.297 0.490 10 0 DCAERN CC(=O)C1(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)CC1 ZINC000294212444 396660686 /nfs/dbraw/zinc/66/06/86/396660686.db2.gz XZTMDXKMFSJJNM-FZMZJTMJSA-N 0 0 319.357 0.965 10 0 DCAERN Cc1csc(NC(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000585821034 396661422 /nfs/dbraw/zinc/66/14/22/396661422.db2.gz PRNNUNJHRMPCNQ-UHFFFAOYSA-N 0 0 318.424 0.999 10 0 DCAERN CS(=O)(=O)NC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000586747753 396662501 /nfs/dbraw/zinc/66/25/01/396662501.db2.gz LRGBHAMCDXWRLI-UHFFFAOYSA-N 0 0 312.391 0.475 10 0 DCAERN COCCN1CN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1=O ZINC000374638883 396677806 /nfs/dbraw/zinc/67/78/06/396677806.db2.gz WFDSTZXFMREYFD-LBPRGKRZSA-N 0 0 322.336 0.652 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000374734864 396683177 /nfs/dbraw/zinc/68/31/77/396683177.db2.gz JRWBYECZXUZWMX-GWCFXTLKSA-N 0 0 310.350 0.825 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000374761796 396685974 /nfs/dbraw/zinc/68/59/74/396685974.db2.gz MOYKXECUPOPRNY-NEPJUHHUSA-N 0 0 310.350 0.305 10 0 DCAERN O=C(Cc1cn2ccccc2n1)N1CCN2CCOC[C@H]2C1 ZINC000374923412 396698113 /nfs/dbraw/zinc/69/81/13/396698113.db2.gz DQISQPFZEJUTJN-CQSZACIVSA-N 0 0 300.362 0.420 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000374926420 396698920 /nfs/dbraw/zinc/69/89/20/396698920.db2.gz KGTNSOPCWLLZGZ-SNVBAGLBSA-N 0 0 312.801 0.793 10 0 DCAERN COCCOc1cc(C(=O)N2CCN3CCOC[C@H]3C2)ccn1 ZINC000374962581 396701359 /nfs/dbraw/zinc/70/13/59/396701359.db2.gz KTHXVCLLWFENCF-CQSZACIVSA-N 0 0 321.377 0.263 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000299914258 396713669 /nfs/dbraw/zinc/71/36/69/396713669.db2.gz FEDLJUWRIVVWDF-GHMZBOCLSA-N 0 0 308.400 0.083 10 0 DCAERN CCOC(=O)c1cnc(N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000596131683 396722230 /nfs/dbraw/zinc/72/22/30/396722230.db2.gz BGPOAERLCYZJLG-MRVPVSSYSA-N 0 0 319.408 0.448 10 0 DCAERN CNC(=O)c1ccc(CN2CCOC[C@H]2c2nc[nH]n2)cc1 ZINC000375272374 396723239 /nfs/dbraw/zinc/72/32/39/396723239.db2.gz NLCQYQGTUCCGDI-ZDUSSCGKSA-N 0 0 301.350 0.738 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375287134 396724608 /nfs/dbraw/zinc/72/46/08/396724608.db2.gz NGVJXQJWVCPXHJ-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@]2(OCCO)CCOC2)cs1 ZINC000617704840 396777902 /nfs/dbraw/zinc/77/79/02/396777902.db2.gz IZKXJHHEUZOSBU-AWEZNQCLSA-N 0 0 313.375 0.849 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1nc(C(N)=O)co1)C1CCCC1 ZINC000617490445 396738906 /nfs/dbraw/zinc/73/89/06/396738906.db2.gz IPIGETAULYCFSS-LBPRGKRZSA-N 0 0 308.338 0.085 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000617499132 396741861 /nfs/dbraw/zinc/74/18/61/396741861.db2.gz WALBHFHOVJYZDD-GFCCVEGCSA-N 0 0 303.362 0.605 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000305861246 396755424 /nfs/dbraw/zinc/75/54/24/396755424.db2.gz ZJFYRDSRNNMHAU-PSASIEDQSA-N 0 0 318.420 0.684 10 0 DCAERN Cc1ccc(OS(N)(=O)=O)c(I)n1 ZINC000306328933 396755943 /nfs/dbraw/zinc/75/59/43/396755943.db2.gz YRSYSTMIRBUJMV-UHFFFAOYSA-N 0 0 314.104 0.577 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375491580 396757911 /nfs/dbraw/zinc/75/79/11/396757911.db2.gz YKCDLLKEMUKISQ-JTQLQIEISA-N 0 0 316.336 0.779 10 0 DCAERN Cc1nc(NCCCn2ccnn2)sc1S(N)(=O)=O ZINC000311651183 396761277 /nfs/dbraw/zinc/76/12/77/396761277.db2.gz TUSOLPDRNCRTKP-UHFFFAOYSA-N 0 0 302.385 0.193 10 0 DCAERN Cn1ncc(Br)c1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000633980275 396761364 /nfs/dbraw/zinc/76/13/64/396761364.db2.gz PDXFKKDTQNOWRG-MTBHXBHISA-N 0 0 300.156 0.691 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC(C)(C)OCCO ZINC000311823918 396761582 /nfs/dbraw/zinc/76/15/82/396761582.db2.gz QVWLBAPDKWAVLM-UHFFFAOYSA-N 0 0 311.791 0.139 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000312272879 396763665 /nfs/dbraw/zinc/76/36/65/396763665.db2.gz IPJVHYDQDPKVNX-NSHDSACASA-N 0 0 322.745 0.090 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000633987781 396763953 /nfs/dbraw/zinc/76/39/53/396763953.db2.gz HUTMEWWUMPREPX-UWVGGRQHSA-N 0 0 319.287 0.509 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2sccc2F)C1 ZINC000312524791 396764591 /nfs/dbraw/zinc/76/45/91/396764591.db2.gz IWYQPLSXONIGPC-MRVPVSSYSA-N 0 0 321.399 0.533 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000312513835 396765175 /nfs/dbraw/zinc/76/51/75/396765175.db2.gz NMTDDXFHTYHPCJ-UWVGGRQHSA-N 0 0 307.318 0.735 10 0 DCAERN CCOC(=O)C[C@@H](O)CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659510 396766852 /nfs/dbraw/zinc/76/68/52/396766852.db2.gz GROZUDVBKKPKPL-VXGBXAGGSA-N 0 0 307.412 0.057 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CC2CC2)cc1 ZINC000611108059 396818361 /nfs/dbraw/zinc/81/83/61/396818361.db2.gz PSKMSGJDKRWJEE-GFCCVEGCSA-N 0 0 313.375 0.913 10 0 DCAERN Cc1cc(C)n([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000375799345 396821824 /nfs/dbraw/zinc/82/18/24/396821824.db2.gz YRONNTIPSNLIFQ-HNNXBMFYSA-N 0 0 306.410 0.996 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCSCC1 ZINC000328937633 396836298 /nfs/dbraw/zinc/83/62/98/396836298.db2.gz JVDPDDKWUCVLED-MNOVXSKESA-N 0 0 306.453 0.069 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000375916542 396845451 /nfs/dbraw/zinc/84/54/51/396845451.db2.gz BBNBTUSRXIOBHZ-SNVBAGLBSA-N 0 0 312.272 0.373 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2ccncc2Br)C1 ZINC000625411330 396864455 /nfs/dbraw/zinc/86/44/55/396864455.db2.gz YKCLDUMIWDVSEB-LBPRGKRZSA-N 0 0 314.183 0.656 10 0 DCAERN CCOC(=O)CCCC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611072194 396813237 /nfs/dbraw/zinc/81/32/37/396813237.db2.gz HASRYJZBKPOAFR-UHFFFAOYSA-N 0 0 309.414 0.964 10 0 DCAERN CCOCCNC(=O)Cn1nc(C(=O)OC)c2c1CCCC2 ZINC000611495798 396874638 /nfs/dbraw/zinc/87/46/38/396874638.db2.gz JGTVNSNJCMMVGF-UHFFFAOYSA-N 0 0 309.366 0.701 10 0 DCAERN C[C@H]1CN(Cc2c(Br)cnn2C)S(=O)(=O)C1 ZINC000634549718 396887263 /nfs/dbraw/zinc/88/72/63/396887263.db2.gz BVBQLGJCLKUDHD-ZETCQYMHSA-N 0 0 308.201 0.964 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)CC2 ZINC000332773531 396893293 /nfs/dbraw/zinc/89/32/93/396893293.db2.gz YGALAKDXBBBHKJ-UWVGGRQHSA-N 0 0 315.381 0.195 10 0 DCAERN CCc1[nH]c(C(=O)NCc2cn(C)nn2)c(C)c1C(=O)OC ZINC000611973768 396967519 /nfs/dbraw/zinc/96/75/19/396967519.db2.gz LOEWGELPQPIWCZ-UHFFFAOYSA-N 0 0 305.338 0.731 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1 ZINC000625591806 396937688 /nfs/dbraw/zinc/93/76/88/396937688.db2.gz QMEKKAUEZCAPKU-QWHCGFSZSA-N 0 0 301.364 0.513 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NCc1cn(C)nn1 ZINC000611935021 396951489 /nfs/dbraw/zinc/95/14/89/396951489.db2.gz LOBNQTBZUXAWLA-UHFFFAOYSA-N 0 0 316.364 0.142 10 0 DCAERN COC(=O)COc1cccc(NC(=O)NCc2cn(C)nn2)c1 ZINC000611944217 396954399 /nfs/dbraw/zinc/95/43/99/396954399.db2.gz QCGHQSDUAYPENC-UHFFFAOYSA-N 0 0 319.321 0.689 10 0 DCAERN COC(=O)COc1cccc(C(=O)NCc2cn(C)nn2)c1 ZINC000611946124 396955932 /nfs/dbraw/zinc/95/59/32/396955932.db2.gz OVDLUIQLSFZLDZ-UHFFFAOYSA-N 0 0 304.306 0.297 10 0 DCAERN C[C@@H]1CN(C(=O)CCC2CCOCC2)CCN1S(C)(=O)=O ZINC000618675581 397009166 /nfs/dbraw/zinc/00/91/66/397009166.db2.gz FANZQQIKMNJYLK-GFCCVEGCSA-N 0 0 318.439 0.686 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618674964 397009325 /nfs/dbraw/zinc/00/93/25/397009325.db2.gz AFSXCQGCQYYRQX-SNVBAGLBSA-N 0 0 314.411 0.088 10 0 DCAERN CCc1ccnc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618675006 397009636 /nfs/dbraw/zinc/00/96/36/397009636.db2.gz AUCLHJVWIWJLJK-LLVKDONJSA-N 0 0 311.407 0.750 10 0 DCAERN C[C@@H]1CN(C(=O)CCC(F)(F)F)CCN1S(C)(=O)=O ZINC000618676462 397010219 /nfs/dbraw/zinc/01/02/19/397010219.db2.gz RRHDNZLVWLEJBI-MRVPVSSYSA-N 0 0 302.318 0.821 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000618679527 397011711 /nfs/dbraw/zinc/01/17/11/397011711.db2.gz LHAQIWRNLZUQSH-LLVKDONJSA-N 0 0 324.402 0.995 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1S(C)(=O)=O ZINC000618680405 397012818 /nfs/dbraw/zinc/01/28/18/397012818.db2.gz WINIZSMBWODIJQ-SNVBAGLBSA-N 0 0 300.355 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC000618721685 397018058 /nfs/dbraw/zinc/01/80/58/397018058.db2.gz YFBDTFCUKOAXEQ-ZJUUUORDSA-N 0 0 323.349 0.276 10 0 DCAERN Cc1nc2c(nccc2C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)[nH]1 ZINC000377059758 397023665 /nfs/dbraw/zinc/02/36/65/397023665.db2.gz BGTJUWSSIHCMHH-SNVBAGLBSA-N 0 0 313.317 0.286 10 0 DCAERN C[C@@H](NC(=O)C1CSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000630465668 397027519 /nfs/dbraw/zinc/02/75/19/397027519.db2.gz SUQRCRAEJJXDFH-MRVPVSSYSA-N 0 0 300.405 0.874 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c[nH]nc1CC ZINC000618882911 397036149 /nfs/dbraw/zinc/03/61/49/397036149.db2.gz GRZSJKQIFSYEDL-BDAKNGLRSA-N 0 0 310.354 0.158 10 0 DCAERN Cn1ccnc1CN[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000377398367 397076551 /nfs/dbraw/zinc/07/65/51/397076551.db2.gz LQXVZQRQYUZTBR-ZDUSSCGKSA-N 0 0 320.418 0.973 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000572800826 397095338 /nfs/dbraw/zinc/09/53/38/397095338.db2.gz QIVUYNJTKUZIJD-XGUBFFRZSA-N 0 0 322.405 0.698 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)NCCCn1ccnn1)CC2 ZINC000612389083 397041917 /nfs/dbraw/zinc/04/19/17/397041917.db2.gz BYTFQWPHIGBJFA-GFCCVEGCSA-N 0 0 321.381 0.653 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000630573131 397050541 /nfs/dbraw/zinc/05/05/41/397050541.db2.gz ACZGGGZWZRWECJ-BPLDGKMQSA-N 0 0 319.405 0.625 10 0 DCAERN O=C(c1ccccc1Cn1ccnn1)N1CCO[C@H](CO)C1 ZINC000612626982 397107519 /nfs/dbraw/zinc/10/75/19/397107519.db2.gz RNKIYFHZMVJGOQ-ZDUSSCGKSA-N 0 0 302.334 0.160 10 0 DCAERN Cc1conc1C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939567 397140043 /nfs/dbraw/zinc/14/00/43/397140043.db2.gz GQDGBCBBPPMKTH-UONOGXRCSA-N 0 0 322.409 0.460 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000592429164 397174120 /nfs/dbraw/zinc/17/41/20/397174120.db2.gz HXBZSSYXPUNAOF-LBPRGKRZSA-N 0 0 305.382 0.876 10 0 DCAERN Cn1cncc1-c1noc(C2CCN(S(C)(=O)=O)CC2)n1 ZINC000350880681 397113334 /nfs/dbraw/zinc/11/33/34/397113334.db2.gz SOXKXQHTQLHXGR-UHFFFAOYSA-N 0 0 311.367 0.609 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N[C@H]3C[C@H](C(N)=O)C3)ccc21 ZINC000626238960 397118112 /nfs/dbraw/zinc/11/81/12/397118112.db2.gz CORYIINVCWWNSN-AULYBMBSSA-N 0 0 316.361 0.981 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC12CCCCC2 ZINC000613148156 397204255 /nfs/dbraw/zinc/20/42/55/397204255.db2.gz LAGALIQMWZDEDQ-CYBMUJFWSA-N 0 0 322.409 0.404 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](C)S(C)(=O)=O ZINC000364455374 397205987 /nfs/dbraw/zinc/20/59/87/397205987.db2.gz OIRAXJYTQWFIIQ-ZDCRXTMVSA-N 0 0 303.380 0.220 10 0 DCAERN CC(=O)CSCC(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000598387865 397223020 /nfs/dbraw/zinc/22/30/20/397223020.db2.gz OOVRHVHDYPHAOE-LBPRGKRZSA-N 0 0 313.423 0.715 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N(CCO)CC1CC1 ZINC000573991837 397225913 /nfs/dbraw/zinc/22/59/13/397225913.db2.gz NWPYUIIQFCETTC-UHFFFAOYSA-N 0 0 302.334 0.504 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1 ZINC000364697776 397236025 /nfs/dbraw/zinc/23/60/25/397236025.db2.gz FSLSAIXHQXEHGV-AWEZNQCLSA-N 0 0 304.346 0.902 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C ZINC000384802103 397281555 /nfs/dbraw/zinc/28/15/55/397281555.db2.gz YHTGIIPKQHKBHU-HTQZYQBOSA-N 0 0 320.392 0.464 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000365515343 397290108 /nfs/dbraw/zinc/29/01/08/397290108.db2.gz JRMUORCMJQISGM-KWCYVHTRSA-N 0 0 320.393 0.718 10 0 DCAERN O=S(=O)(c1c(F)cccc1F)N1CC(n2ccnn2)C1 ZINC000378537477 397253673 /nfs/dbraw/zinc/25/36/73/397253673.db2.gz DXGTVAFHYBSYJX-UHFFFAOYSA-N 0 0 300.290 0.802 10 0 DCAERN C[S@](=O)C1(CNC(=O)N2CCN(C3CC3)C(=O)C2)CCC1 ZINC000407952844 397334861 /nfs/dbraw/zinc/33/48/61/397334861.db2.gz JTERGWQTERGJTQ-NRFANRHFSA-N 0 0 313.423 0.304 10 0 DCAERN O=C([C@H]1CCCN1c1nccs1)N1CCN(C2CC2)C(=O)C1 ZINC000407958222 397337216 /nfs/dbraw/zinc/33/72/16/397337216.db2.gz QUYRUHKITBLBCU-GFCCVEGCSA-N 0 0 320.418 0.945 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959695 397337309 /nfs/dbraw/zinc/33/73/09/397337309.db2.gz XCCFJZSVSXBSPN-ZDUSSCGKSA-N 0 0 307.394 0.611 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000407961108 397338242 /nfs/dbraw/zinc/33/82/42/397338242.db2.gz AUBASOQJKKKCDD-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN CC(=O)N1CCCN(C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000407964769 397339094 /nfs/dbraw/zinc/33/90/94/397339094.db2.gz ITCHHALTAXCRHH-UHFFFAOYSA-N 0 0 321.425 0.843 10 0 DCAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407967689 397340519 /nfs/dbraw/zinc/34/05/19/397340519.db2.gz RANVQGLYHXOJHI-UHFFFAOYSA-N 0 0 316.317 0.684 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407970383 397341513 /nfs/dbraw/zinc/34/15/13/397341513.db2.gz ZMSQJIWNUCWMAP-ZDUSSCGKSA-N 0 0 321.421 0.858 10 0 DCAERN C=C/C(C)=C\CC(=O)Nc1nc(C)n(C)c1C(=O)NCCO ZINC000613984188 397356671 /nfs/dbraw/zinc/35/66/71/397356671.db2.gz WRGIYIHSAYEFJS-POHAHGRESA-N 0 0 306.366 0.912 10 0 DCAERN NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000577872367 397369636 /nfs/dbraw/zinc/36/96/36/397369636.db2.gz GYAMFGOVQIQLLV-SECBINFHSA-N 0 0 305.306 0.270 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000366530725 397371715 /nfs/dbraw/zinc/37/17/15/397371715.db2.gz PINDYMNJYLLDEV-FDYHWXHSSA-N 0 0 318.439 0.945 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)C1 ZINC000614092085 397381897 /nfs/dbraw/zinc/38/18/97/397381897.db2.gz CMDATVHDFXETQW-LZWOXQAQSA-N 0 0 311.401 0.890 10 0 DCAERN Cc1cc(C)n(CC(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000593074834 397320566 /nfs/dbraw/zinc/32/05/66/397320566.db2.gz RSWVQKARSGTUMM-UHFFFAOYSA-N 0 0 311.349 0.792 10 0 DCAERN CNC(=O)c1cccnc1N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000578491906 397442438 /nfs/dbraw/zinc/44/24/38/397442438.db2.gz OJSZPLGKFANBPR-OAHLLOKOSA-N 0 0 316.365 0.064 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000370154276 397449386 /nfs/dbraw/zinc/44/93/86/397449386.db2.gz RTWRIERJTWJRLL-UTUOFQBUSA-N 0 0 305.396 0.769 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@@H](F)C[C@@H]1CO ZINC000366681818 397389751 /nfs/dbraw/zinc/38/97/51/397389751.db2.gz JHIZWSGPOFEZLB-XHNCKOQMSA-N 0 0 312.263 0.329 10 0 DCAERN CCOC1CC(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000367788028 397410506 /nfs/dbraw/zinc/41/05/06/397410506.db2.gz VDJMGTJRMVNHSK-UXUKBGGZSA-N 0 0 310.394 0.698 10 0 DCAERN COC(=O)c1csc(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000602471599 397413602 /nfs/dbraw/zinc/41/36/02/397413602.db2.gz FFIDLZHBCBKOHY-JTQLQIEISA-N 0 0 318.420 0.658 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368282157 397418070 /nfs/dbraw/zinc/41/80/70/397418070.db2.gz FECYGAFHDDLMLW-ZDUSSCGKSA-N 0 0 308.382 0.560 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC000487146150 397468559 /nfs/dbraw/zinc/46/85/59/397468559.db2.gz ATKUTMJYHCEXNH-MNOVXSKESA-N 0 0 324.352 0.941 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)C ZINC000487339586 397469197 /nfs/dbraw/zinc/46/91/97/397469197.db2.gz UNQAOYOGPCTECL-UWVGGRQHSA-N 0 0 308.400 0.018 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(SC)CCC1 ZINC000488304074 397489132 /nfs/dbraw/zinc/48/91/32/397489132.db2.gz BWOVJWZTWKHWSK-NXEZZACHSA-N 0 0 316.423 0.845 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](CO)OC[C@@H]2C)s1 ZINC000602786114 397485448 /nfs/dbraw/zinc/48/54/48/397485448.db2.gz MSHJBTGFKOZFLP-VHSXEESVSA-N 0 0 300.380 0.901 10 0 DCAERN C[C@@H](Cn1cncn1)Nc1cnn(C)c(=O)c1Br ZINC000602849356 397500743 /nfs/dbraw/zinc/50/07/43/397500743.db2.gz FUGSLUPGMKFDCP-ZETCQYMHSA-N 0 0 313.159 0.635 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)CCO1 ZINC000578918919 397503146 /nfs/dbraw/zinc/50/31/46/397503146.db2.gz OIELRPTZHBEKFN-GFCCVEGCSA-N 0 0 321.333 0.279 10 0 DCAERN O=C(CN1CCOCC1=O)NCC[C@H]1COc2ccccc2O1 ZINC000579302187 397549384 /nfs/dbraw/zinc/54/93/84/397549384.db2.gz BDTBVLQLRQOYCW-LBPRGKRZSA-N 0 0 320.345 0.192 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)cnn1C ZINC000579392012 397563650 /nfs/dbraw/zinc/56/36/50/397563650.db2.gz LUWJSBMMNJYHGZ-HNNXBMFYSA-N 0 0 322.365 0.075 10 0 DCAERN CNC(=O)c1cc(O[C@@H]2CCN(C(=O)c3ccon3)C2)ccn1 ZINC000370977767 397529231 /nfs/dbraw/zinc/52/92/31/397529231.db2.gz CZXNXXHCOALFNQ-LLVKDONJSA-N 0 0 316.317 0.723 10 0 DCAERN O=C1CN(C2CCC2)C(=O)N1C[C@H]1CCCCS1(=O)=O ZINC000579790515 397592739 /nfs/dbraw/zinc/59/27/39/397592739.db2.gz YAWSXMZYNOGOEF-LLVKDONJSA-N 0 0 300.380 0.770 10 0 DCAERN O=c1c(I)cccn1C[C@@H]1COCCO1 ZINC000603343930 397598747 /nfs/dbraw/zinc/59/87/47/397598747.db2.gz KPOQOQQLRMVTAB-MRVPVSSYSA-N 0 0 321.114 0.868 10 0 DCAERN C[C@]1(CNC(=O)NCCCN2CCCS2(=O)=O)CCOC1 ZINC000603532336 397615266 /nfs/dbraw/zinc/61/52/66/397615266.db2.gz RWOBRJNLYYHEGR-CYBMUJFWSA-N 0 0 319.427 0.138 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)Nc1ccc2nccn2c1 ZINC000603883637 397624533 /nfs/dbraw/zinc/62/45/33/397624533.db2.gz HUXNVRVCOHNFQH-UHFFFAOYSA-N 0 0 308.301 0.782 10 0 DCAERN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000607918390 397706807 /nfs/dbraw/zinc/70/68/07/397706807.db2.gz LEEOVZIGAGBHSM-SNVBAGLBSA-N 0 0 306.366 0.558 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000609890205 397796742 /nfs/dbraw/zinc/79/67/42/397796742.db2.gz IJGNAWVBASTQGM-QWRGUYRKSA-N 0 0 303.380 0.364 10 0 DCAERN CCOC(=O)C1(O)CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000610538897 397830582 /nfs/dbraw/zinc/83/05/82/397830582.db2.gz MFDAOYWBINMMOO-UHFFFAOYSA-N 0 0 322.409 0.895 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000163681599 292142895 /nfs/dbraw/zinc/14/28/95/292142895.db2.gz DLROVHVKJIAJOO-WDEREUQCSA-N 0 0 304.350 0.441 10 0 DCAERN COc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)on1 ZINC000367241592 286201464 /nfs/dbraw/zinc/20/14/64/286201464.db2.gz YTLFTFSAKXHCDV-MFKMUULPSA-N 0 0 310.350 0.981 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000267709799 304368975 /nfs/dbraw/zinc/36/89/75/304368975.db2.gz QUCVNUQUMVJKAX-NWDGAFQWSA-N 0 0 317.393 0.804 10 0 DCAERN COCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCC1 ZINC000365122092 292286515 /nfs/dbraw/zinc/28/65/15/292286515.db2.gz QMMHFTLZDNUOCN-HNNXBMFYSA-N 0 0 309.366 0.394 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N(C)CC)C12CCOCC2 ZINC000248727019 286392433 /nfs/dbraw/zinc/39/24/33/286392433.db2.gz PKBRKZYJQHGSRB-NWDGAFQWSA-N 0 0 306.428 0.747 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188805556 292324339 /nfs/dbraw/zinc/32/43/39/292324339.db2.gz GYAWBEQNCDFBMR-CYBMUJFWSA-N 0 0 322.471 0.520 10 0 DCAERN Cn1cnnc1C1CCN(C(=O)CN2CSCC2=O)CC1 ZINC000030653322 157983830 /nfs/dbraw/zinc/98/38/30/157983830.db2.gz ZQMDFKZUZKVBPU-UHFFFAOYSA-N 0 0 309.395 0.054 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000047816938 158003980 /nfs/dbraw/zinc/00/39/80/158003980.db2.gz QMDZTNYUEBEXKA-JTQLQIEISA-N 0 0 321.402 0.990 10 0 DCAERN Cn1nccc1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000048289200 158005299 /nfs/dbraw/zinc/00/52/99/158005299.db2.gz XIZLFZGXYXPLIM-UHFFFAOYSA-N 0 0 309.351 0.540 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000049240816 158010523 /nfs/dbraw/zinc/01/05/23/158010523.db2.gz DFSFCXHTKWCGIH-JTQLQIEISA-N 0 0 304.318 0.864 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCNC(=O)C1 ZINC000053092979 158018570 /nfs/dbraw/zinc/01/85/70/158018570.db2.gz GKFNHEQJKMUJPE-JTQLQIEISA-N 0 0 323.299 0.276 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000053326556 158018768 /nfs/dbraw/zinc/01/87/68/158018768.db2.gz LKLCHWMTQLCRGI-SNVBAGLBSA-N 0 0 321.410 0.442 10 0 DCAERN COCCOCCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000063079203 158031670 /nfs/dbraw/zinc/03/16/70/158031670.db2.gz IJKJMCAUEJBYJV-UHFFFAOYSA-N 0 0 320.349 0.843 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067197839 158039673 /nfs/dbraw/zinc/03/96/73/158039673.db2.gz BLCWOEFXYLTEAX-RISCZKNCSA-N 0 0 305.378 0.327 10 0 DCAERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCNC(=O)CC1 ZINC000068257053 158041847 /nfs/dbraw/zinc/04/18/47/158041847.db2.gz AQCJBHUIMHSKHE-JTQLQIEISA-N 0 0 323.780 0.807 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000072709444 158052657 /nfs/dbraw/zinc/05/26/57/158052657.db2.gz NSOLXZLLHIPMBE-GFCCVEGCSA-N 0 0 309.395 0.989 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)no1 ZINC000074610507 158060034 /nfs/dbraw/zinc/06/00/34/158060034.db2.gz QHEANTXNMLKVRJ-LBPRGKRZSA-N 0 0 309.370 0.384 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NC(C)(C)C(N)=O)C1 ZINC000078114595 158071771 /nfs/dbraw/zinc/07/17/71/158071771.db2.gz APGHNJUJKPEIHX-LLVKDONJSA-N 0 0 312.414 0.444 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@H]2CN(C)CCO2)c2ccccc2)[nH]1 ZINC000081028730 158082723 /nfs/dbraw/zinc/08/27/23/158082723.db2.gz OJQJATRBNKIDNB-ZIAGYGMSSA-N 0 0 315.377 0.649 10 0 DCAERN O=C(Cc1ccccc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796366 158088121 /nfs/dbraw/zinc/08/81/21/158088121.db2.gz SMXGIFOILVVNFF-CQSZACIVSA-N 0 0 307.737 0.693 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084756382 158089155 /nfs/dbraw/zinc/08/91/55/158089155.db2.gz ATFCKBXKJMQJQG-LLVKDONJSA-N 0 0 316.379 0.580 10 0 DCAERN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1S(C)(=O)=O ZINC000089199733 158096271 /nfs/dbraw/zinc/09/62/71/158096271.db2.gz MTQPKUQHMBWOQO-JTQLQIEISA-N 0 0 310.375 0.815 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000090500886 158103905 /nfs/dbraw/zinc/10/39/05/158103905.db2.gz GFMSHFWQSKPCGQ-YPMHNXCESA-N 0 0 318.377 0.351 10 0 DCAERN Cc1cc(S(=O)(=O)N(CCO)CCO)c(Cl)cc1F ZINC000092318377 158112703 /nfs/dbraw/zinc/11/27/03/158112703.db2.gz FDALHEOLZBISDX-UHFFFAOYSA-N 0 0 311.762 0.763 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](CO)C(C)C ZINC000092407424 158113610 /nfs/dbraw/zinc/11/36/10/158113610.db2.gz XJTSTRWZZVGWAR-JTQLQIEISA-N 0 0 319.379 0.978 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NC2(C)Cc3ccccc3C2)C1=O ZINC000092613735 158115170 /nfs/dbraw/zinc/11/51/70/158115170.db2.gz SIDDPIPBWHDBJC-UHFFFAOYSA-N 0 0 315.373 0.991 10 0 DCAERN Cc1ccc([C@@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)o1 ZINC000093865035 158120615 /nfs/dbraw/zinc/12/06/15/158120615.db2.gz UQAWCUPZMOMXSF-AWEZNQCLSA-N 0 0 319.361 0.559 10 0 DCAERN Cc1ccc([C@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)CCO2)o1 ZINC000093865036 158121158 /nfs/dbraw/zinc/12/11/58/158121158.db2.gz UQAWCUPZMOMXSF-CQSZACIVSA-N 0 0 319.361 0.559 10 0 DCAERN CCCC(=O)NCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811312 158131448 /nfs/dbraw/zinc/13/14/48/158131448.db2.gz OBWCNVZBJWQPIW-UHFFFAOYSA-N 0 0 305.382 0.432 10 0 DCAERN CCOCCOCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816507 158131470 /nfs/dbraw/zinc/13/14/70/158131470.db2.gz SXOKKHHUDFFCHS-UHFFFAOYSA-N 0 0 322.409 0.957 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105898528 158132130 /nfs/dbraw/zinc/13/21/30/158132130.db2.gz LSFUCTZBHWTBAY-LBPRGKRZSA-N 0 0 308.386 0.541 10 0 DCAERN CC(C)n1nnnc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000111302379 158140069 /nfs/dbraw/zinc/14/00/69/158140069.db2.gz OBECPADTOKDRJE-CQSZACIVSA-N 0 0 308.430 0.941 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCOC[C@@H]1CC)CC2 ZINC000115830575 158162860 /nfs/dbraw/zinc/16/28/60/158162860.db2.gz WVTBEDVYWBDHRR-RYUDHWBXSA-N 0 0 307.398 0.976 10 0 DCAERN CCCCCCNC(=O)CN1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000116282051 158164190 /nfs/dbraw/zinc/16/41/90/158164190.db2.gz UQLFXFRHWOYBBH-QWHCGFSZSA-N 0 0 300.399 0.945 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)Cn3cnnn3)CC2)n1 ZINC000116671360 158165919 /nfs/dbraw/zinc/16/59/19/158165919.db2.gz JKRRNHQVHHROEZ-UHFFFAOYSA-N 0 0 301.354 0.162 10 0 DCAERN COCCN1CCN(C(=O)CCCCNC(N)=O)C[C@H]1C ZINC000117284943 158169654 /nfs/dbraw/zinc/16/96/54/158169654.db2.gz MKSIVTYDXNAWLF-GFCCVEGCSA-N 0 0 300.403 0.004 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117287020 158170239 /nfs/dbraw/zinc/17/02/39/158170239.db2.gz PQVJYWFKXDYPTI-KGLIPLIRSA-N 0 0 302.415 0.607 10 0 DCAERN O=C(CC1CCOCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000117234338 158170294 /nfs/dbraw/zinc/17/02/94/158170294.db2.gz PMQJGQAOFCPMDV-HNNXBMFYSA-N 0 0 324.421 0.901 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCCn2cc(C)cn2)cc1 ZINC000117987082 158174396 /nfs/dbraw/zinc/17/43/96/158174396.db2.gz HFNSBAQWOFHGFK-UHFFFAOYSA-N 0 0 316.361 0.746 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)OC ZINC000119330482 158186101 /nfs/dbraw/zinc/18/61/01/158186101.db2.gz NJWLCOGMRZXWAU-SNVBAGLBSA-N 0 0 311.386 0.984 10 0 DCAERN CO[C@@H](C)CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119907348 158190600 /nfs/dbraw/zinc/19/06/00/158190600.db2.gz MJSRCVUIGGSPRO-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000119992250 158192628 /nfs/dbraw/zinc/19/26/28/158192628.db2.gz XKXCPPFQDXIDTL-LLVKDONJSA-N 0 0 313.379 0.623 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)N(CCO)CCO)c2)no1 ZINC000120249533 158194886 /nfs/dbraw/zinc/19/48/86/158194886.db2.gz KNYVRQMZVUMEQW-UHFFFAOYSA-N 0 0 306.322 0.864 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120270671 158196009 /nfs/dbraw/zinc/19/60/09/158196009.db2.gz LGDIVTWKIWRUOC-NSHDSACASA-N 0 0 317.349 0.853 10 0 DCAERN CNC(=O)CC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000120359479 158197595 /nfs/dbraw/zinc/19/75/95/158197595.db2.gz HMYYICRGEPQLBU-CQSZACIVSA-N 0 0 305.378 0.312 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000120868447 158204204 /nfs/dbraw/zinc/20/42/04/158204204.db2.gz KRUDXBBXUUOMLX-NXEZZACHSA-N 0 0 322.390 0.599 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)nn1 ZINC000121184085 158208214 /nfs/dbraw/zinc/20/82/14/158208214.db2.gz VBAOJVCNLHYSGZ-LLVKDONJSA-N 0 0 321.362 0.039 10 0 DCAERN COCCN1CCN(C(=O)CCNC(=O)CC(C)C)C[C@H]1C ZINC000121411326 158210339 /nfs/dbraw/zinc/21/03/39/158210339.db2.gz VIKJZOZKOZLMSF-CQSZACIVSA-N 0 0 313.442 0.718 10 0 DCAERN Cc1c(/C=C/C(=O)NC[C@@H]2CN(C3CC3)CCO2)cnn1C ZINC000121482642 158211740 /nfs/dbraw/zinc/21/17/40/158211740.db2.gz RXCIHNBYPWDXNX-YFCVBGDOSA-N 0 0 304.394 0.721 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCC(C)(C)CO ZINC000121716965 158213836 /nfs/dbraw/zinc/21/38/36/158213836.db2.gz UTKNHHQYDWTCJO-NEPJUHHUSA-N 0 0 308.444 0.729 10 0 DCAERN Cc1cc(NC(=O)N2CCN(c3cccnn3)CC2)nn1C ZINC000121949052 158216517 /nfs/dbraw/zinc/21/65/17/158216517.db2.gz YEICBXPIFVVIBL-UHFFFAOYSA-N 0 0 301.354 0.873 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)CCS1(=O)=O ZINC000122015265 158217712 /nfs/dbraw/zinc/21/77/12/158217712.db2.gz NAVLTLWTLJEIGD-CMPLNLGQSA-N 0 0 322.386 0.758 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000122326901 158219521 /nfs/dbraw/zinc/21/95/21/158219521.db2.gz YJQRHHRGIHEEIB-CHWSQXEVSA-N 0 0 319.409 0.967 10 0 DCAERN NC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cn1 ZINC000122581476 158221844 /nfs/dbraw/zinc/22/18/44/158221844.db2.gz KOPLCDDUCHOKBG-UHFFFAOYSA-N 0 0 302.290 0.532 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@H](C)CO ZINC000122987091 158225964 /nfs/dbraw/zinc/22/59/64/158225964.db2.gz HDZLOVCPRUBPFI-SSDOTTSWSA-N 0 0 305.352 0.684 10 0 DCAERN NC(=O)C1([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000123032694 158226174 /nfs/dbraw/zinc/22/61/74/158226174.db2.gz WGDXZNRTDWHOTI-UONOGXRCSA-N 0 0 323.437 0.934 10 0 DCAERN CC[C@@H]1CN(C(=O)NCC(=O)N(C)C)CCN1CC(F)F ZINC000124461709 158242239 /nfs/dbraw/zinc/24/22/39/158242239.db2.gz QYIQTXUGRBVEQG-SNVBAGLBSA-N 0 0 306.357 0.446 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000124529421 158243701 /nfs/dbraw/zinc/24/37/01/158243701.db2.gz OCONGETVUDGWMA-CABZTGNLSA-N 0 0 308.382 0.528 10 0 DCAERN NC(=O)COc1cccc(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000124763803 158246111 /nfs/dbraw/zinc/24/61/11/158246111.db2.gz VTWUHSGGWKNXBI-UHFFFAOYSA-N 0 0 303.362 0.471 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000125267221 158254152 /nfs/dbraw/zinc/25/41/52/158254152.db2.gz NJVXNUAVDNHSJD-GHMZBOCLSA-N 0 0 318.377 0.749 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1(O)CCC1 ZINC000127585298 158273929 /nfs/dbraw/zinc/27/39/29/158273929.db2.gz JSXTWABFWHJUIJ-UHFFFAOYSA-N 0 0 317.363 0.876 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127778275 158276172 /nfs/dbraw/zinc/27/61/72/158276172.db2.gz VBLOUIXMUPSPQV-MLGOLLRUSA-N 0 0 308.378 0.679 10 0 DCAERN COc1ccc(F)cc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000129014382 158285087 /nfs/dbraw/zinc/28/50/87/158285087.db2.gz VCORTURASMHXNW-LBPRGKRZSA-N 0 0 312.341 0.257 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000129084672 158285768 /nfs/dbraw/zinc/28/57/68/158285768.db2.gz BWWNOGSTFRQVQT-UHFFFAOYSA-N 0 0 321.425 0.863 10 0 DCAERN COC(=O)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000131527162 158303471 /nfs/dbraw/zinc/30/34/71/158303471.db2.gz YDFTYXAGJDXOFI-CYBMUJFWSA-N 0 0 318.373 0.755 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132604276 158313052 /nfs/dbraw/zinc/31/30/52/158313052.db2.gz WHDWGZQGDHSULH-QWRGUYRKSA-N 0 0 306.366 0.380 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(Cc2cn3cccnc3n2)C1 ZINC000134337327 158325699 /nfs/dbraw/zinc/32/56/99/158325699.db2.gz ZLFQISFKQXFZMY-ZDUSSCGKSA-N 0 0 323.422 0.631 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000135143672 158334090 /nfs/dbraw/zinc/33/40/90/158334090.db2.gz SONCQCKNMCMIQG-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@H](NC(=O)CCCS(C)(=O)=O)c1nnc2n1CCCC2 ZINC000135413881 158336667 /nfs/dbraw/zinc/33/66/67/158336667.db2.gz GUSYDEXWTOQHRW-JTQLQIEISA-N 0 0 314.411 0.616 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000135577909 158339229 /nfs/dbraw/zinc/33/92/29/158339229.db2.gz CQEGECMVPOBIHZ-AAEUAGOBSA-N 0 0 316.423 0.580 10 0 DCAERN Cc1nnc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1C ZINC000135706788 158339721 /nfs/dbraw/zinc/33/97/21/158339721.db2.gz PBDYDONDRJPMJT-LBPRGKRZSA-N 0 0 313.427 0.123 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000135792131 158340439 /nfs/dbraw/zinc/34/04/39/158340439.db2.gz ABWUKCGWUWDVKM-WCQYABFASA-N 0 0 310.398 0.307 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000137370548 158345601 /nfs/dbraw/zinc/34/56/01/158345601.db2.gz GBAVFKIXNDAJKD-SNVBAGLBSA-N 0 0 310.785 0.908 10 0 DCAERN COC[C@H](C)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000139404400 158347851 /nfs/dbraw/zinc/34/78/51/158347851.db2.gz VNQRWCDDINCKCB-LLVKDONJSA-N 0 0 304.354 0.744 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000152669546 158349663 /nfs/dbraw/zinc/34/96/63/158349663.db2.gz OJHGLJAITJLPGO-GHMZBOCLSA-N 0 0 306.366 0.859 10 0 DCAERN C[C@H]1CO[C@@H](CO)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000167847888 158369935 /nfs/dbraw/zinc/36/99/35/158369935.db2.gz MFFALDRXWILVTL-TVQRCGJNSA-N 0 0 300.305 0.985 10 0 DCAERN COC[C@H](C)N(C)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000170685636 158375498 /nfs/dbraw/zinc/37/54/98/158375498.db2.gz NYJROTJJFABJDA-CPCZMJQVSA-N 0 0 320.455 0.978 10 0 DCAERN COc1ncnc2c1CN(CC(=O)NC1CCOCC1)CC2 ZINC000171138860 158380408 /nfs/dbraw/zinc/38/04/08/158380408.db2.gz CXJPMSXKEUJOQC-UHFFFAOYSA-N 0 0 306.366 0.139 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(N)=O)C2)cn1 ZINC000171351317 158381505 /nfs/dbraw/zinc/38/15/05/158381505.db2.gz DKEGXWOARNKLNN-AAEUAGOBSA-N 0 0 305.382 0.874 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000171635188 158385689 /nfs/dbraw/zinc/38/56/89/158385689.db2.gz UZPGFXAGCXTMSC-RDBSUJKOSA-N 0 0 307.398 0.599 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171750305 158386202 /nfs/dbraw/zinc/38/62/02/158386202.db2.gz UHNZLICLHXLJPX-DZGCQCFKSA-N 0 0 305.378 0.859 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986917 158389347 /nfs/dbraw/zinc/38/93/47/158389347.db2.gz ROOWWAUVSVAHDU-CJNGLKHVSA-N 0 0 317.389 0.848 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000172101474 158390237 /nfs/dbraw/zinc/39/02/37/158390237.db2.gz GIAZCOMXJFZHPN-KKOKHZNYSA-N 0 0 302.396 0.094 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172217964 158391730 /nfs/dbraw/zinc/39/17/30/158391730.db2.gz BBSQRDIURUUPRE-LLVKDONJSA-N 0 0 311.345 0.726 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360692 158393733 /nfs/dbraw/zinc/39/37/33/158393733.db2.gz SHEKZNASJCUOAU-GFCCVEGCSA-N 0 0 316.361 0.449 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](C)n1cncn1)CC2 ZINC000172418197 158393857 /nfs/dbraw/zinc/39/38/57/158393857.db2.gz OBKGJPQBWNNBAZ-GHMZBOCLSA-N 0 0 303.370 0.685 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1CN(C2CC2)CCO1 ZINC000172389435 158394146 /nfs/dbraw/zinc/39/41/46/158394146.db2.gz IDGRPYOQKMUQSU-KBPBESRZSA-N 0 0 318.439 0.338 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172439200 158394171 /nfs/dbraw/zinc/39/41/71/158394171.db2.gz CSXGUKXLJNQGLR-GHMZBOCLSA-N 0 0 304.412 0.218 10 0 DCAERN CCNS(=O)(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000172453940 158395089 /nfs/dbraw/zinc/39/50/89/158395089.db2.gz MHVWTMSZNNMHQD-GFCCVEGCSA-N 0 0 313.423 0.965 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000172650116 158397619 /nfs/dbraw/zinc/39/76/19/158397619.db2.gz LUQUVPLAFLWHSL-BXKDBHETSA-N 0 0 307.325 0.925 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760511 158399559 /nfs/dbraw/zinc/39/95/59/158399559.db2.gz UUQYJLVVVVFZIL-CQSZACIVSA-N 0 0 309.410 0.226 10 0 DCAERN NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172797368 158399567 /nfs/dbraw/zinc/39/95/67/158399567.db2.gz UUZVDCOZWVJKQJ-NWDGAFQWSA-N 0 0 304.346 0.943 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)nn1 ZINC000172769331 158399668 /nfs/dbraw/zinc/39/96/68/158399668.db2.gz OKUXJQZZLWHMHH-CQSZACIVSA-N 0 0 321.425 0.871 10 0 DCAERN C[C@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1N1CCOCC1 ZINC000173862792 158410967 /nfs/dbraw/zinc/41/09/67/158410967.db2.gz AHBRBPJDSKYVPO-DZGCQCFKSA-N 0 0 323.437 0.472 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)CC(=O)N(C)C)CCO2)n1 ZINC000174771338 158420772 /nfs/dbraw/zinc/42/07/72/158420772.db2.gz NKMHDPKBICMNML-CYBMUJFWSA-N 0 0 308.382 0.206 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)CC(=O)N(C)C)CCO2)n1 ZINC000174771329 158420970 /nfs/dbraw/zinc/42/09/70/158420970.db2.gz NKMHDPKBICMNML-ZDUSSCGKSA-N 0 0 308.382 0.206 10 0 DCAERN Cn1cc(N2CCN(C(=O)c3ccc(C=O)cc3)CC2=O)cn1 ZINC000177845313 158451705 /nfs/dbraw/zinc/45/17/05/158451705.db2.gz DSTPNGMAPXWVGL-UHFFFAOYSA-N 0 0 312.329 0.722 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1cccc(-n2cnnn2)c1 ZINC000178373646 158456779 /nfs/dbraw/zinc/45/67/79/158456779.db2.gz ISRQBLDXVIEUJI-UHFFFAOYSA-N 0 0 323.316 0.426 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(C)C ZINC000178692405 158461796 /nfs/dbraw/zinc/46/17/96/158461796.db2.gz PYORABJTODMKIH-CQSZACIVSA-N 0 0 316.365 0.092 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000179695019 158475445 /nfs/dbraw/zinc/47/54/45/158475445.db2.gz MDPZGTVOUGWHOD-GXTWGEPZSA-N 0 0 311.403 0.974 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1(CO)CCC1)CC2 ZINC000181770591 158488349 /nfs/dbraw/zinc/48/83/49/158488349.db2.gz MUCWZQIFUNVAFN-NSHDSACASA-N 0 0 307.398 0.617 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)NCCc1nnc2n1CCCC2 ZINC000182096142 158489938 /nfs/dbraw/zinc/48/99/38/158489938.db2.gz DKEOKKUXIJTNER-UHFFFAOYSA-N 0 0 308.382 0.862 10 0 DCAERN CC1(Cn2cc(C(=O)N3CC[C@H]4OCCC[C@@H]4C3)nn2)COC1 ZINC000185163910 158514979 /nfs/dbraw/zinc/51/49/79/158514979.db2.gz JACHQROSIKDNDU-TZMCWYRMSA-N 0 0 320.393 0.956 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCCCS(C)(=O)=O)c2n1 ZINC000185232272 158517308 /nfs/dbraw/zinc/51/73/08/158517308.db2.gz BACWCNZQQVNILD-UHFFFAOYSA-N 0 0 324.406 0.982 10 0 DCAERN COc1ccc(C(=O)NCC(=O)Nc2nc(C)nn2C)cc1 ZINC000186945653 158535228 /nfs/dbraw/zinc/53/52/28/158535228.db2.gz GBFUKAZDGPZBCF-UHFFFAOYSA-N 0 0 303.322 0.501 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCCCc1nc(C(C)C)no1 ZINC000187730800 158540597 /nfs/dbraw/zinc/54/05/97/158540597.db2.gz YASVIRDBLQZALR-UHFFFAOYSA-N 0 0 311.386 0.903 10 0 DCAERN CNC(=O)C1(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000188080490 158542409 /nfs/dbraw/zinc/54/24/09/158542409.db2.gz DDZMRIIIEUIWTM-UHFFFAOYSA-N 0 0 317.393 0.462 10 0 DCAERN CO[C@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000188517592 158544923 /nfs/dbraw/zinc/54/49/23/158544923.db2.gz NGWOHQOKAIDJMT-VHSXEESVSA-N 0 0 317.411 0.429 10 0 DCAERN COCCN1CCCN(S(=O)(=O)c2ccccc2)CC1=O ZINC000191401968 158567708 /nfs/dbraw/zinc/56/77/08/158567708.db2.gz BPQSAXTUFJBOAK-UHFFFAOYSA-N 0 0 312.391 0.556 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000192930653 158579530 /nfs/dbraw/zinc/57/95/30/158579530.db2.gz PWJUUPNEKYIIKD-YPMHNXCESA-N 0 0 300.380 0.899 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000195275055 158608439 /nfs/dbraw/zinc/60/84/39/158608439.db2.gz OJWYBXDIPUOWHZ-GHMZBOCLSA-N 0 0 316.427 0.671 10 0 DCAERN COC(=O)[C@H]1CN(c2ncncc2Br)CCO1 ZINC000211871962 158613152 /nfs/dbraw/zinc/61/31/52/158613152.db2.gz WFYLEIOCPUJOLH-MRVPVSSYSA-N 0 0 302.128 0.617 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CC1CCOCC1 ZINC000162434434 297157455 /nfs/dbraw/zinc/15/74/55/297157455.db2.gz WELCEQIWQMMYOG-NEPJUHHUSA-N 0 0 306.428 0.699 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3C[C@H]3C)C2=O)n(C)n1 ZINC000247502908 158683496 /nfs/dbraw/zinc/68/34/96/158683496.db2.gz XPXFGPRXTLBKOO-USWWRNFRSA-N 0 0 305.382 0.932 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248368414 158689789 /nfs/dbraw/zinc/68/97/89/158689789.db2.gz VECROBMEUXMXSX-NQBHXWOUSA-N 0 0 306.366 0.430 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248841826 158699571 /nfs/dbraw/zinc/69/95/71/158699571.db2.gz OBKMZZAVNMMHBH-TUAOUCFPSA-N 0 0 304.412 0.847 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249386353 158706686 /nfs/dbraw/zinc/70/66/86/158706686.db2.gz WUWDLFSUKKZICM-VHSXEESVSA-N 0 0 317.436 0.837 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2CCN2CCCS2(=O)=O)[nH]1 ZINC000328623038 159015994 /nfs/dbraw/zinc/01/59/94/159015994.db2.gz YOWSKGSMEIECIC-LBPRGKRZSA-N 0 0 313.427 0.676 10 0 DCAERN O=C1[C@@H](N2CCN(C3CC3)C(=O)C2)CCN1C1CCOCC1 ZINC000328638228 159016993 /nfs/dbraw/zinc/01/69/93/159016993.db2.gz DDQSYSJEOSMYCJ-AWEZNQCLSA-N 0 0 307.394 0.073 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328651511 159017520 /nfs/dbraw/zinc/01/75/20/159017520.db2.gz JWIWNNYTBKBBCO-MNOVXSKESA-N 0 0 302.396 0.779 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000328673530 159019742 /nfs/dbraw/zinc/01/97/42/159019742.db2.gz JBLUKCKXLCWIJK-OLZOCXBDSA-N 0 0 323.393 0.440 10 0 DCAERN COCCN1CN(C(=O)c2ccc3c(n2)CCCC3)CC1=O ZINC000328709429 159023385 /nfs/dbraw/zinc/02/33/85/159023385.db2.gz AJBPMLSSONSBJW-UHFFFAOYSA-N 0 0 303.362 0.849 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328724568 159024296 /nfs/dbraw/zinc/02/42/96/159024296.db2.gz YPZYLVWRFDOIMI-LLVKDONJSA-N 0 0 321.410 0.753 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328754227 159026468 /nfs/dbraw/zinc/02/64/68/159026468.db2.gz DSOIOTFFKDTOCW-MNOVXSKESA-N 0 0 317.411 0.283 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@@H]21 ZINC000328858568 159035501 /nfs/dbraw/zinc/03/55/01/159035501.db2.gz DORYZHBAIGWORD-LSDHHAIUSA-N 0 0 312.410 0.504 10 0 DCAERN C[C@H](CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)N1CCCCC1=O ZINC000328869265 159036404 /nfs/dbraw/zinc/03/64/04/159036404.db2.gz HNYCXUIJIIMOQU-RBSFLKMASA-N 0 0 323.437 0.709 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875892 159037108 /nfs/dbraw/zinc/03/71/08/159037108.db2.gz JYDWMVZKDHHWGB-CHWSQXEVSA-N 0 0 307.398 0.578 10 0 DCAERN COCc1nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cs1 ZINC000328902466 159038711 /nfs/dbraw/zinc/03/87/11/159038711.db2.gz GQIFVEJKGNZPGX-VXGBXAGGSA-N 0 0 311.407 0.835 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328915893 159040973 /nfs/dbraw/zinc/04/09/73/159040973.db2.gz JZECMOJOUWRCCR-SDDRHHMPSA-N 0 0 300.384 0.250 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000329049682 159056067 /nfs/dbraw/zinc/05/60/67/159056067.db2.gz WBYJWCKFUYZJIW-AVGNSLFASA-N 0 0 323.393 0.734 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@@H]1c1nc[nH]n1)N1CCCCC1=O ZINC000329099535 159062337 /nfs/dbraw/zinc/06/23/37/159062337.db2.gz ZFJCCBSJXXVGKB-NWDGAFQWSA-N 0 0 321.381 0.496 10 0 DCAERN Cc1cnc(COCC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1 ZINC000329117066 159064439 /nfs/dbraw/zinc/06/44/39/159064439.db2.gz UHQDVYADXLAYBI-OLZOCXBDSA-N 0 0 309.366 0.431 10 0 DCAERN CCc1nnc([C@@H](C)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)o1 ZINC000329138485 159066719 /nfs/dbraw/zinc/06/67/19/159066719.db2.gz RXOCBDPCKMDIHE-GPCCPHFNSA-N 0 0 318.381 0.988 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000329187731 159071732 /nfs/dbraw/zinc/07/17/32/159071732.db2.gz QETCINLCSBTDCJ-SNVBAGLBSA-N 0 0 313.321 0.920 10 0 DCAERN C[S@](=O)c1nncn1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329240967 159075398 /nfs/dbraw/zinc/07/53/98/159075398.db2.gz NCSGWJPVDYHFOO-BJFPOWJFSA-N 0 0 312.395 0.186 10 0 DCAERN CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1 ZINC000329262937 159077510 /nfs/dbraw/zinc/07/75/10/159077510.db2.gz FEIWVRMLGVXBGV-TUAOUCFPSA-N 0 0 301.408 0.837 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)O1 ZINC000329282590 159079516 /nfs/dbraw/zinc/07/95/16/159079516.db2.gz NSCFTAUIISZLLC-WVZRYYJFSA-N 0 0 324.421 0.776 10 0 DCAERN CN1CN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1=O ZINC000329443754 159093579 /nfs/dbraw/zinc/09/35/79/159093579.db2.gz LLFLSMCTZMTPNW-UHFFFAOYSA-N 0 0 301.346 0.681 10 0 DCAERN COCCC(=O)N1CCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000329466460 159095415 /nfs/dbraw/zinc/09/54/15/159095415.db2.gz VQDSXNOBJIPORX-UHFFFAOYSA-N 0 0 318.439 0.687 10 0 DCAERN CN(C(=O)c1cnc2n(c1=O)CCS2)[C@@H]1C[NH+]2CCC1CC2 ZINC000329491120 159097271 /nfs/dbraw/zinc/09/72/71/159097271.db2.gz SRTRMGNQVJCNCV-GFCCVEGCSA-N 0 0 320.418 0.515 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCS[C@H](C)C2)nn1 ZINC000329503487 159097668 /nfs/dbraw/zinc/09/76/68/159097668.db2.gz GUQTUDXMJAZHFQ-YUSALJHKSA-N 0 0 312.395 0.442 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)cn1 ZINC000329529807 159100399 /nfs/dbraw/zinc/10/03/99/159100399.db2.gz VJNPUYNCKLCXLG-STQMWFEESA-N 0 0 306.366 0.424 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@@H]1CCOC1)C2 ZINC000329569617 159103192 /nfs/dbraw/zinc/10/31/92/159103192.db2.gz PWCMESLFSHVVKI-SNVBAGLBSA-N 0 0 300.384 0.336 10 0 DCAERN O=C(c1cn(C2CCOCC2)nn1)N1CCO[C@H](C2CC2)C1 ZINC000329580143 159104720 /nfs/dbraw/zinc/10/47/20/159104720.db2.gz PPEPZHQIYPGJLZ-AWEZNQCLSA-N 0 0 306.366 0.881 10 0 DCAERN Cn1[nH]c(CN2CC[C@@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584336 159105015 /nfs/dbraw/zinc/10/50/15/159105015.db2.gz LXVITRHABKMTCU-OAHLLOKOSA-N 0 0 322.796 0.941 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOCC2(CCC2)C1 ZINC000329580543 159105092 /nfs/dbraw/zinc/10/50/92/159105092.db2.gz PRXZFWQRDJYYGH-UHFFFAOYSA-N 0 0 316.365 0.438 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000329596751 159105449 /nfs/dbraw/zinc/10/54/49/159105449.db2.gz PGRKITHQCZREIS-QWHCGFSZSA-N 0 0 320.455 0.584 10 0 DCAERN O=C(CS(=O)(=O)CC1CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329654939 159109141 /nfs/dbraw/zinc/10/91/41/159109141.db2.gz LXEJQIVAZVUTRS-STQMWFEESA-N 0 0 301.408 0.981 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000329709044 159113767 /nfs/dbraw/zinc/11/37/67/159113767.db2.gz LINJUQMJMKPGGJ-KGYLQXTDSA-N 0 0 306.366 0.069 10 0 DCAERN Cn1cc(C(=O)c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)cn1 ZINC000329731715 159115332 /nfs/dbraw/zinc/11/53/32/159115332.db2.gz PVUXDLPIAMQLQK-RYUDHWBXSA-N 0 0 317.349 0.960 10 0 DCAERN O=C(CN1CCOCC1=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000329830900 159122690 /nfs/dbraw/zinc/12/26/90/159122690.db2.gz FIXFUMDSPBEJLC-AWEZNQCLSA-N 0 0 310.394 0.795 10 0 DCAERN C[C@H](NS(=O)(=O)NC1CCCC1)C(=O)N1CCCCC1 ZINC000329860619 159124045 /nfs/dbraw/zinc/12/40/45/159124045.db2.gz XMFOHXKJRQHESG-NSHDSACASA-N 0 0 303.428 0.754 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1csc2cncn21 ZINC000329879276 159125778 /nfs/dbraw/zinc/12/57/78/159125778.db2.gz MACVDAJYBFPPSP-QMMMGPOBSA-N 0 0 314.392 0.289 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@]2(OC)CCOC2)C[C@H]1N1CCOCC1 ZINC000329943985 159130528 /nfs/dbraw/zinc/13/05/28/159130528.db2.gz WNPACCLBUCXBBY-IIAWOOMASA-N 0 0 312.410 0.361 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CCS1(=O)=O ZINC000329996211 159134437 /nfs/dbraw/zinc/13/44/37/159134437.db2.gz OMDJIAVNMDBBRX-SECBINFHSA-N 0 0 310.375 0.924 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC(O)(C4CC4)C3)nc2n1 ZINC000330079783 159140216 /nfs/dbraw/zinc/14/02/16/159140216.db2.gz ITQYRSOKSKKZMT-UHFFFAOYSA-N 0 0 301.350 0.267 10 0 DCAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CC(O)(C2CC2)C1 ZINC000330086582 159140917 /nfs/dbraw/zinc/14/09/17/159140917.db2.gz MKCDNJVARAQGGS-GFCCVEGCSA-N 0 0 310.419 0.671 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330089705 159141020 /nfs/dbraw/zinc/14/10/20/159141020.db2.gz WBKOZWHRFFWQQM-UQOMUDLDSA-N 0 0 320.393 0.039 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000330107506 159142834 /nfs/dbraw/zinc/14/28/34/159142834.db2.gz MFRSDTZEAXUDFL-NMKXLXIOSA-N 0 0 318.439 0.840 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H](C)S1=O ZINC000330137731 159144980 /nfs/dbraw/zinc/14/49/80/159144980.db2.gz IDBCVKIROIANHX-NXEZZACHSA-N 0 0 306.391 0.950 10 0 DCAERN O=C(C[S@](=O)[C@@H]1CCOC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000330153391 159146560 /nfs/dbraw/zinc/14/65/60/159146560.db2.gz XEDVFIGBWPBEBV-GKYBTWCOSA-N 0 0 301.408 0.694 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@H](O)C1CC1 ZINC000330202716 159149627 /nfs/dbraw/zinc/14/96/27/159149627.db2.gz ZQVXFWYMTDBLMI-KGLIPLIRSA-N 0 0 318.439 0.468 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)COCC(F)(F)F ZINC000330428247 159171788 /nfs/dbraw/zinc/17/17/88/159171788.db2.gz KYFXVVCMEHITJI-IONNQARKSA-N 0 0 314.329 0.991 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c1 ZINC000330460061 159176604 /nfs/dbraw/zinc/17/66/04/159176604.db2.gz JSQHEACDCJETEC-SSDOTTSWSA-N 0 0 301.290 0.495 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)CC1=O ZINC000332736543 159211365 /nfs/dbraw/zinc/21/13/65/159211365.db2.gz XZRGNLOHKYJCON-NEPJUHHUSA-N 0 0 309.410 0.951 10 0 DCAERN C[C@@H](CNC(=O)C[C@H]1CCCCNC1=O)CN1CCOCC1 ZINC000332756569 159212368 /nfs/dbraw/zinc/21/23/68/159212368.db2.gz CDNPVXHAMROFOX-UONOGXRCSA-N 0 0 311.426 0.377 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@@H](C2CC2)C1)[C@H](C)N1CCOCC1 ZINC000332968096 159218327 /nfs/dbraw/zinc/21/83/27/159218327.db2.gz RQYIDXSDYZIPPR-KCQAQPDRSA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000332982093 159218452 /nfs/dbraw/zinc/21/84/52/159218452.db2.gz PKZJJBPKDUUFSC-SCRDCRAPSA-N 0 0 307.398 0.953 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000350016907 159242944 /nfs/dbraw/zinc/24/29/44/159242944.db2.gz SOQYRPXJZQMJNT-QMMMGPOBSA-N 0 0 315.317 0.629 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000359248310 159256564 /nfs/dbraw/zinc/25/65/64/159256564.db2.gz GOTFBWRFNQJYIR-OVZMXSCWSA-N 0 0 310.394 0.827 10 0 DCAERN Cc1n[nH]cc1CNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000366744657 159283430 /nfs/dbraw/zinc/28/34/30/159283430.db2.gz ZSPDLMFITCIKFR-UHFFFAOYSA-N 0 0 315.381 0.930 10 0 DCAERN CCOCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367250960 159325414 /nfs/dbraw/zinc/32/54/14/159325414.db2.gz BEJOGBXKRCAKQI-CHWSQXEVSA-N 0 0 300.399 0.890 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000367631693 159347533 /nfs/dbraw/zinc/34/75/33/159347533.db2.gz RSUHXUZJQBMXIT-FRRDWIJNSA-N 0 0 313.398 0.443 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)on1 ZINC000367757687 159354269 /nfs/dbraw/zinc/35/42/69/159354269.db2.gz AVEAPVKLCQGZIP-UFGOTCBOSA-N 0 0 306.366 0.834 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368145043 159377754 /nfs/dbraw/zinc/37/77/54/159377754.db2.gz XOLYPTUJHHXCSK-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)CCO1 ZINC000368282780 159385293 /nfs/dbraw/zinc/38/52/93/159385293.db2.gz GXJIQNHHTLNMQM-ILXRZTDVSA-N 0 0 311.426 0.916 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371789298 159584937 /nfs/dbraw/zinc/58/49/37/159584937.db2.gz RHDDYGPLHIDVSA-GFCCVEGCSA-N 0 0 311.407 0.151 10 0 DCAERN CCS(=O)(=O)NCCN1CCOc2cccc(F)c2C1 ZINC000374580524 159741197 /nfs/dbraw/zinc/74/11/97/159741197.db2.gz QWVVWJBKCPSELG-UHFFFAOYSA-N 0 0 302.371 0.959 10 0 DCAERN C[C@@H]1C[C@H](CCNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000374606206 159742545 /nfs/dbraw/zinc/74/25/45/159742545.db2.gz RXPISWRDGQEMHW-FDYHWXHSSA-N 0 0 313.398 0.476 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407955345 159996536 /nfs/dbraw/zinc/99/65/36/159996536.db2.gz JGWZHDDHMMKWSJ-OASPWFOLSA-N 0 0 304.394 0.877 10 0 DCAERN Cc1cn2cc(C(=O)N3CC[C@H](S(C)(=O)=O)C3)sc2n1 ZINC000407961732 159997715 /nfs/dbraw/zinc/99/77/15/159997715.db2.gz ALWFXQZFWMKFBR-VIFPVBQESA-N 0 0 313.404 0.963 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000407961073 159998032 /nfs/dbraw/zinc/99/80/32/159998032.db2.gz AGANRIWLLCNYDB-JHJVBQTASA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000407965394 159998701 /nfs/dbraw/zinc/99/87/01/159998701.db2.gz LYPNVLKWLJUKLW-GQYKCQBRSA-N 0 0 311.382 0.670 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1CC ZINC000407966565 159998703 /nfs/dbraw/zinc/99/87/03/159998703.db2.gz BEJMZKQCVWHGIO-SECBINFHSA-N 0 0 306.366 0.610 10 0 DCAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407972940 159999784 /nfs/dbraw/zinc/99/97/84/159999784.db2.gz WLVWQVNDCNRZGD-SSDOTTSWSA-N 0 0 304.306 0.540 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC000407981281 160001653 /nfs/dbraw/zinc/00/16/53/160001653.db2.gz RSXMWTKLOCJLRH-SNVBAGLBSA-N 0 0 320.353 0.061 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](C)C1 ZINC000407982368 160002530 /nfs/dbraw/zinc/00/25/30/160002530.db2.gz YDHUYXOIIHPWQK-WPRPVWTQSA-N 0 0 315.395 0.827 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@H](SC)C2)C1 ZINC000407987741 160003148 /nfs/dbraw/zinc/00/31/48/160003148.db2.gz RDRUWZGKFLYCOR-KOLCDFICSA-N 0 0 300.428 0.983 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000407987603 160003920 /nfs/dbraw/zinc/00/39/20/160003920.db2.gz QKFQSELUNVCXPE-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000407989572 160004333 /nfs/dbraw/zinc/00/43/33/160004333.db2.gz KLARIYZBRRGBAE-OLZOCXBDSA-N 0 0 313.423 0.283 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000407990728 160004680 /nfs/dbraw/zinc/00/46/80/160004680.db2.gz QNCSHWOCFAIXRH-LBPRGKRZSA-N 0 0 313.423 0.235 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000407993393 160004997 /nfs/dbraw/zinc/00/49/97/160004997.db2.gz XYFTTWPSWAZPCQ-WBMJQRKESA-N 0 0 307.394 0.374 10 0 DCAERN C[C@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000407999954 160006806 /nfs/dbraw/zinc/00/68/06/160006806.db2.gz YFPZZBCJDCZVJV-JQWIXIFHSA-N 0 0 304.412 0.199 10 0 DCAERN CC[C@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1N1CCOCC1 ZINC000408004150 160008589 /nfs/dbraw/zinc/00/85/89/160008589.db2.gz KOSNLSLUIBWYMW-SWLSCSKDSA-N 0 0 305.378 0.970 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408012345 160010318 /nfs/dbraw/zinc/01/03/18/160010318.db2.gz HDAGKKGRKLLIGH-MBNYWOFBSA-N 0 0 317.455 0.810 10 0 DCAERN NS(=O)(=O)C1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000408015867 160012356 /nfs/dbraw/zinc/01/23/56/160012356.db2.gz GBNJOVIOMWSHKH-UHFFFAOYSA-N 0 0 303.428 0.188 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408019819 160012752 /nfs/dbraw/zinc/01/27/52/160012752.db2.gz BBKRXGUPNKGERA-UBHSHLNASA-N 0 0 321.377 0.329 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018728 160013440 /nfs/dbraw/zinc/01/34/40/160013440.db2.gz VGKCHTXARPTZKJ-JGVFFNPUSA-N 0 0 318.317 0.080 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022617 160013877 /nfs/dbraw/zinc/01/38/77/160013877.db2.gz MFGASOPGGZFUNE-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CCO1 ZINC000408020228 160013900 /nfs/dbraw/zinc/01/39/00/160013900.db2.gz CKVKFUOPFJBBOV-KBXIAJHMSA-N 0 0 311.426 0.916 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)CC1CCOCC1 ZINC000408025501 160014962 /nfs/dbraw/zinc/01/49/62/160014962.db2.gz CDUPBFOEGKTRDS-QWHCGFSZSA-N 0 0 307.412 0.479 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408025247 160015075 /nfs/dbraw/zinc/01/50/75/160015075.db2.gz AMBVGITYDODFLD-AGIUHOORSA-N 0 0 306.428 0.699 10 0 DCAERN NC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000408024059 160015099 /nfs/dbraw/zinc/01/50/99/160015099.db2.gz XQLMBIJHEFSWNN-NXEZZACHSA-N 0 0 322.331 0.530 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000408028649 160016096 /nfs/dbraw/zinc/01/60/96/160016096.db2.gz SXXSGRYUDIGQLL-VHSXEESVSA-N 0 0 306.409 0.530 10 0 DCAERN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408032258 160016450 /nfs/dbraw/zinc/01/64/50/160016450.db2.gz UIRSHBOZDJZYBR-FIQHERPVSA-N 0 0 323.386 0.453 10 0 DCAERN O=S(=O)(c1ccc2c(c1)COC2)N1C[C@@H](F)C[C@H]1CO ZINC000408032392 160016664 /nfs/dbraw/zinc/01/66/64/160016664.db2.gz WHRZMJIVZJZCSB-RYUDHWBXSA-N 0 0 301.339 0.810 10 0 DCAERN O=C(N1CCCC1)[C@@]1(O)CCCN(S(=O)(=O)CCCF)C1 ZINC000408031201 160017088 /nfs/dbraw/zinc/01/70/88/160017088.db2.gz RBWLZCHRHMGELN-CYBMUJFWSA-N 0 0 322.402 0.125 10 0 DCAERN Cc1cnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc1C ZINC000408033047 160017923 /nfs/dbraw/zinc/01/79/23/160017923.db2.gz HAXGWFJOMFNWJL-OLZOCXBDSA-N 0 0 308.357 0.869 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3COCC[C@@H]32)co1 ZINC000408038665 160019304 /nfs/dbraw/zinc/01/93/04/160019304.db2.gz ONNBKHIHEBUZTD-ONGXEEELSA-N 0 0 314.363 0.568 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)CC[C@@H]21 ZINC000408051460 160023675 /nfs/dbraw/zinc/02/36/75/160023675.db2.gz KBQOGNUZJXHFMK-NEPJUHHUSA-N 0 0 317.349 0.415 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@](C)(O)C2)c(=O)c2ccccc21 ZINC000408050995 160023866 /nfs/dbraw/zinc/02/38/66/160023866.db2.gz GMDVQHGRBQQKQY-INIZCTEOSA-N 0 0 301.346 0.921 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000408051412 160023881 /nfs/dbraw/zinc/02/38/81/160023881.db2.gz OXNWKCSHFZDCJK-VPWBDBDCSA-N 0 0 310.394 0.290 10 0 DCAERN COC[C@H](C)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408059705 160025706 /nfs/dbraw/zinc/02/57/06/160025706.db2.gz AZAMLPDDJFSRBX-WDEREUQCSA-N 0 0 307.416 0.087 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000408070214 160027914 /nfs/dbraw/zinc/02/79/14/160027914.db2.gz HWIFXCPVRXEQNN-NEPJUHHUSA-N 0 0 303.428 0.059 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000408071719 160029143 /nfs/dbraw/zinc/02/91/43/160029143.db2.gz DQIYBMKBQWIJAU-CKYFFXLPSA-N 0 0 312.366 0.080 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408077247 160030709 /nfs/dbraw/zinc/03/07/09/160030709.db2.gz VKKRJOOSIUODFC-NSHDSACASA-N 0 0 317.345 0.758 10 0 DCAERN C[C@H]1CC(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000408078009 160031282 /nfs/dbraw/zinc/03/12/82/160031282.db2.gz FVGYPEVELQVNTL-RYUDHWBXSA-N 0 0 311.426 0.598 10 0 DCAERN CN(C)c1cnc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000408083010 160031695 /nfs/dbraw/zinc/03/16/95/160031695.db2.gz ZZSIDRSSTFPZHE-UHFFFAOYSA-N 0 0 312.395 0.192 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)oc1C ZINC000408090917 160033132 /nfs/dbraw/zinc/03/31/32/160033132.db2.gz TUVSIUJSRMTBDU-KCJUWKMLSA-N 0 0 317.363 0.766 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NC[C@@]1(CCO)CCOC1 ZINC000408099730 160035572 /nfs/dbraw/zinc/03/55/72/160035572.db2.gz NILCKOVYXYTBCW-CHWSQXEVSA-N 0 0 306.428 0.484 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000408113149 160038493 /nfs/dbraw/zinc/03/84/93/160038493.db2.gz QHBKTSWHMOGSDR-LBPRGKRZSA-N 0 0 300.362 0.559 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000408112402 160038501 /nfs/dbraw/zinc/03/85/01/160038501.db2.gz KRIOCJMVVFCPII-GFCCVEGCSA-N 0 0 314.389 0.639 10 0 DCAERN C[C@H]1CCSCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408113959 160038668 /nfs/dbraw/zinc/03/86/68/160038668.db2.gz ZMOWDYSPJSZDCW-VIFPVBQESA-N 0 0 315.420 0.697 10 0 DCAERN C[C@@H]1CCSCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408113958 160038924 /nfs/dbraw/zinc/03/89/24/160038924.db2.gz ZMOWDYSPJSZDCW-SECBINFHSA-N 0 0 315.420 0.697 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(C)C[C@@H]1C ZINC000408114923 160039766 /nfs/dbraw/zinc/03/97/66/160039766.db2.gz ZWPISLATZCTRAA-NSHDSACASA-N 0 0 304.394 0.868 10 0 DCAERN O=C(c1cnc2ccccn2c1=O)N1CCC[C@](F)(CO)C1 ZINC000408121243 160041117 /nfs/dbraw/zinc/04/11/17/160041117.db2.gz LXSMVUADKUTTOS-OAHLLOKOSA-N 0 0 305.309 0.631 10 0 DCAERN CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CO)C2)CCO1 ZINC000408130773 160043640 /nfs/dbraw/zinc/04/36/40/160043640.db2.gz FHBRWKRCHPFELR-BFHYXJOUSA-N 0 0 300.399 0.983 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CCN1CCOC ZINC000408132787 160044094 /nfs/dbraw/zinc/04/40/94/160044094.db2.gz LNFLFGNGBBUSNX-ZIAGYGMSSA-N 0 0 319.471 0.616 10 0 DCAERN Cc1c[nH]cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1=O ZINC000408135871 160045166 /nfs/dbraw/zinc/04/51/66/160045166.db2.gz ZMPOCRCVWBDRCB-JSGCOSHPSA-N 0 0 305.378 0.476 10 0 DCAERN CN(C[C@H]1CCCC[C@@H]1O)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408140559 160046206 /nfs/dbraw/zinc/04/62/06/160046206.db2.gz KFMFPPPVWVPBOF-MNOVXSKESA-N 0 0 311.382 0.326 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408151670 160048176 /nfs/dbraw/zinc/04/81/76/160048176.db2.gz RPJPZPAIZLVEPB-CYBMUJFWSA-N 0 0 305.382 0.065 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000408149830 160048216 /nfs/dbraw/zinc/04/82/16/160048216.db2.gz JXAJPFINOGENJA-LBPRGKRZSA-N 0 0 301.350 0.709 10 0 DCAERN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000408153534 160049313 /nfs/dbraw/zinc/04/93/13/160049313.db2.gz KUIJWDBANZGDIC-WDEREUQCSA-N 0 0 312.391 0.992 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H](O)C1 ZINC000408164767 160051127 /nfs/dbraw/zinc/05/11/27/160051127.db2.gz JLIHIKCMTCGOBQ-QMMMGPOBSA-N 0 0 304.393 0.301 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(OC)CC1)CC2 ZINC000408172265 160052769 /nfs/dbraw/zinc/05/27/69/160052769.db2.gz UTVOFOLCOURWNQ-LLVKDONJSA-N 0 0 307.398 0.976 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2nnc(C3CC3)n2C)C1 ZINC000408175176 160052810 /nfs/dbraw/zinc/05/28/10/160052810.db2.gz XLJNDQVPACCMKD-JTQLQIEISA-N 0 0 313.427 0.759 10 0 DCAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCOCC2(CC2)C1 ZINC000408173660 160052815 /nfs/dbraw/zinc/05/28/15/160052815.db2.gz BVFKMLWLMZLVMH-SECBINFHSA-N 0 0 323.315 0.875 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408189113 160055825 /nfs/dbraw/zinc/05/58/25/160055825.db2.gz VVRZLQHYYBMIIL-FIQHERPVSA-N 0 0 318.439 0.180 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000408190505 160056284 /nfs/dbraw/zinc/05/62/84/160056284.db2.gz ZLSSNTQXHYOWBM-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1cncn1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000408194764 160057014 /nfs/dbraw/zinc/05/70/14/160057014.db2.gz YQBRCPMNGWBQCM-UHFFFAOYSA-N 0 0 309.395 0.951 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC(=O)N1 ZINC000408193004 160057055 /nfs/dbraw/zinc/05/70/55/160057055.db2.gz QDCVWAHAOFJTCA-QJPTWQEYSA-N 0 0 316.423 0.327 10 0 DCAERN CC[C@H]1C[C@H](C(=O)NC2CCC(C(=O)NC)CC2)CC(=O)N1 ZINC000408197485 160057249 /nfs/dbraw/zinc/05/72/49/160057249.db2.gz JMPRZLHTJCCNAB-ZFQMDJOTSA-N 0 0 309.410 0.712 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCNC1=O)C(=O)N1CCCC[C@H]1C ZINC000408195286 160057280 /nfs/dbraw/zinc/05/72/80/160057280.db2.gz NLVIIWJEHRTDLA-GRYCIOLGSA-N 0 0 310.398 0.354 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408198856 160058551 /nfs/dbraw/zinc/05/85/51/160058551.db2.gz WDXPRCRMKACATK-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN O=C(c1cnc2n[nH]nc2c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408202966 160059172 /nfs/dbraw/zinc/05/91/72/160059172.db2.gz JYQPDDVIYWGMGS-SNVBAGLBSA-N 0 0 301.228 0.492 10 0 DCAERN CN1CN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1=O ZINC000408207143 160060035 /nfs/dbraw/zinc/06/00/35/160060035.db2.gz QWNSLVSSKAAJOG-UHFFFAOYSA-N 0 0 322.340 0.926 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000408209342 160060750 /nfs/dbraw/zinc/06/07/50/160060750.db2.gz ZVQVCBGTYNNZDE-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(c1cncnc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408218049 160062180 /nfs/dbraw/zinc/06/21/80/160062180.db2.gz GTIHRNZMZINVJG-LBPRGKRZSA-N 0 0 304.350 0.188 10 0 DCAERN CN(C)c1nccc(N2CCC(N(C)S(C)(=O)=O)CC2)n1 ZINC000408217861 160062216 /nfs/dbraw/zinc/06/22/16/160062216.db2.gz GCPAESORNMZDRY-UHFFFAOYSA-N 0 0 313.427 0.403 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408218554 160062316 /nfs/dbraw/zinc/06/23/16/160062316.db2.gz SSAADTHSDXQWCI-OLZOCXBDSA-N 0 0 310.398 0.306 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218630 160062450 /nfs/dbraw/zinc/06/24/50/160062450.db2.gz JCVGOKPHVMALFQ-KGLIPLIRSA-N 0 0 316.467 1.000 10 0 DCAERN Cn1ccc(CCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000408222482 160063139 /nfs/dbraw/zinc/06/31/39/160063139.db2.gz QHBJGGPJBLOVIX-HNNXBMFYSA-N 0 0 305.382 0.274 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)[C@H]1OC ZINC000408227486 160064234 /nfs/dbraw/zinc/06/42/34/160064234.db2.gz BUELETFFLBEAOH-YVECIDJPSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@@H]1[C@@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1(F)F ZINC000408231248 160064741 /nfs/dbraw/zinc/06/47/41/160064741.db2.gz LQLXHUILIWAEAH-SKDRFNHKSA-N 0 0 303.353 0.556 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3[C@@H](C)C3(F)F)CC2)n1 ZINC000408230328 160065037 /nfs/dbraw/zinc/06/50/37/160065037.db2.gz AXEORHKAAMONFC-LDYMZIIASA-N 0 0 300.309 0.923 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)C1(F)F ZINC000408232324 160065467 /nfs/dbraw/zinc/06/54/67/160065467.db2.gz SQHWATOKVRNQCB-KXUCPTDWSA-N 0 0 310.366 0.675 10 0 DCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)N3CCCC3)C2)cn1 ZINC000408236953 160065878 /nfs/dbraw/zinc/06/58/78/160065878.db2.gz LRAZJPZQMDZWBC-GFCCVEGCSA-N 0 0 313.427 0.319 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)no1 ZINC000408236980 160066148 /nfs/dbraw/zinc/06/61/48/160066148.db2.gz RCVATEHTJCLSSZ-IUCAKERBSA-N 0 0 318.399 0.557 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408237728 160066729 /nfs/dbraw/zinc/06/67/29/160066729.db2.gz RSIRTCTYHALMRD-MXWKQRLJSA-N 0 0 308.400 0.081 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cnn1C ZINC000408241243 160067688 /nfs/dbraw/zinc/06/76/88/160067688.db2.gz IMNNGWFYWLLQHH-NEPJUHHUSA-N 0 0 314.411 0.319 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)[C@@H]1CO ZINC000408243342 160067804 /nfs/dbraw/zinc/06/78/04/160067804.db2.gz GJGDBKKNTXLWLQ-ZIAGYGMSSA-N 0 0 320.455 0.131 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245177 160068186 /nfs/dbraw/zinc/06/81/86/160068186.db2.gz FTDVSAQVCWODGY-INIZCTEOSA-N 0 0 318.377 0.348 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000408243813 160068314 /nfs/dbraw/zinc/06/83/14/160068314.db2.gz BHNXVHKSPYHHPU-CXAGYDPISA-N 0 0 321.421 0.764 10 0 DCAERN O=S(=O)(CCCN1CCOCC1)N1CCOCC2(CC2)C1 ZINC000408244545 160068448 /nfs/dbraw/zinc/06/84/48/160068448.db2.gz OZKDABODBAVDAH-UHFFFAOYSA-N 0 0 318.439 0.151 10 0 DCAERN COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@H]1CCCO1 ZINC000408246048 160068619 /nfs/dbraw/zinc/06/86/19/160068619.db2.gz YMNXEQUAGGEPLD-SDDRHHMPSA-N 0 0 320.411 0.009 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cs1 ZINC000408248250 160069079 /nfs/dbraw/zinc/06/90/79/160069079.db2.gz UKANROLXFHCFAR-AWEZNQCLSA-N 0 0 322.390 0.844 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000408247963 160069404 /nfs/dbraw/zinc/06/94/04/160069404.db2.gz QVXFDFJRUZWSFB-IGQOVBAYSA-N 0 0 321.421 0.761 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408247232 160069498 /nfs/dbraw/zinc/06/94/98/160069498.db2.gz MWYBWIRUTHLWSH-STQMWFEESA-N 0 0 306.428 0.148 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000408249993 160069762 /nfs/dbraw/zinc/06/97/62/160069762.db2.gz GGRKSAPUJYZSMV-LBPRGKRZSA-N 0 0 315.377 0.740 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000408254330 160070846 /nfs/dbraw/zinc/07/08/46/160070846.db2.gz MGYPCFQPGVTQNS-IKWCTNDRSA-N 0 0 318.439 0.802 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000408265319 160072295 /nfs/dbraw/zinc/07/22/95/160072295.db2.gz QIALEYLQMNPMSR-UHTWSYAYSA-N 0 0 323.397 0.603 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408273458 160073287 /nfs/dbraw/zinc/07/32/87/160073287.db2.gz CZFQUEPPWVCZHP-QWHCGFSZSA-N 0 0 311.426 0.600 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408271032 160073433 /nfs/dbraw/zinc/07/34/33/160073433.db2.gz UJHARTBKNPPRHJ-HNNXBMFYSA-N 0 0 311.382 0.200 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C ZINC000408272531 160073493 /nfs/dbraw/zinc/07/34/93/160073493.db2.gz FKYFZHJHPFTWPC-NEPJUHHUSA-N 0 0 308.382 0.193 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000408275310 160074161 /nfs/dbraw/zinc/07/41/61/160074161.db2.gz XPXRAEGXPCHFIQ-YWPYICTPSA-N 0 0 312.366 0.034 10 0 DCAERN Cc1[nH]nc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1C ZINC000408275218 160074269 /nfs/dbraw/zinc/07/42/69/160074269.db2.gz WNASLVSISKWUNZ-UHFFFAOYSA-N 0 0 314.411 0.523 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000408279197 160074968 /nfs/dbraw/zinc/07/49/68/160074968.db2.gz IEACFGDREDTWJH-MRXNPFEDSA-N 0 0 320.345 0.982 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408277417 160075249 /nfs/dbraw/zinc/07/52/49/160075249.db2.gz OXNGMVMWDQENLR-RFAUZJTJSA-N 0 0 311.382 0.637 10 0 DCAERN Cc1nnsc1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000408281429 160075704 /nfs/dbraw/zinc/07/57/04/160075704.db2.gz OMVLPBITLYNCNI-SNVBAGLBSA-N 0 0 306.395 0.709 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000408281656 160075948 /nfs/dbraw/zinc/07/59/48/160075948.db2.gz QBNXMJVJPLVYEW-KGLIPLIRSA-N 0 0 311.426 0.160 10 0 DCAERN Cc1ccnc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000408292275 160077396 /nfs/dbraw/zinc/07/73/96/160077396.db2.gz RRTGTLANZVOMJJ-WDEREUQCSA-N 0 0 312.395 0.375 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000408293895 160078356 /nfs/dbraw/zinc/07/83/56/160078356.db2.gz IYVDUACZMYELLC-MNOVXSKESA-N 0 0 301.346 0.458 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCNC(=O)[C@H]2C(C)C)c1 ZINC000408299936 160079913 /nfs/dbraw/zinc/07/99/13/160079913.db2.gz FQSLXLNADJLYBP-LLVKDONJSA-N 0 0 300.384 0.048 10 0 DCAERN COc1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)nn1C ZINC000408309599 160082327 /nfs/dbraw/zinc/08/23/27/160082327.db2.gz NEUSNBKXCKELKV-LBPRGKRZSA-N 0 0 320.393 0.903 10 0 DCAERN O=C(NCC(F)(F)F)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000408309733 160082380 /nfs/dbraw/zinc/08/23/80/160082380.db2.gz OEAZFLKAMIQBRZ-VIFPVBQESA-N 0 0 309.288 0.628 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 ZINC000408310502 160082579 /nfs/dbraw/zinc/08/25/79/160082579.db2.gz SGKYPFASLTTXRO-QMMMGPOBSA-N 0 0 302.318 0.869 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)CC(=O)N1 ZINC000408318232 160083951 /nfs/dbraw/zinc/08/39/51/160083951.db2.gz INFCRXWVWNVSSJ-ZOBORPQBSA-N 0 0 311.426 0.205 10 0 DCAERN O=C(N1CCO[C@H](c2cccc(O)c2)C1)C1(O)CCOCC1 ZINC000408318404 160084276 /nfs/dbraw/zinc/08/42/76/160084276.db2.gz CUDZXFUEGMSFEL-AWEZNQCLSA-N 0 0 307.346 0.834 10 0 DCAERN CC(=O)N1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)[C@H](C)C1 ZINC000408323883 160085408 /nfs/dbraw/zinc/08/54/08/160085408.db2.gz DPHBRXPGUVVGAF-MRVPVSSYSA-N 0 0 320.378 0.621 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408338275 160087722 /nfs/dbraw/zinc/08/77/22/160087722.db2.gz YTVOVZSZCBOSSH-AXFHLTTASA-N 0 0 322.427 0.111 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000408345868 160088824 /nfs/dbraw/zinc/08/88/24/160088824.db2.gz NOJXQYHIMWMXNK-BZPMIXESSA-N 0 0 310.394 0.302 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408344976 160088936 /nfs/dbraw/zinc/08/89/36/160088936.db2.gz CZCSYQJPHBMSSH-GXTWGEPZSA-N 0 0 318.439 0.758 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000408348151 160089540 /nfs/dbraw/zinc/08/95/40/160089540.db2.gz FADIMUCRUCDXJV-RQJHMYQMSA-N 0 0 307.276 0.736 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000408352672 160090625 /nfs/dbraw/zinc/09/06/25/160090625.db2.gz TUEAYHSTDGTREQ-KBPBESRZSA-N 0 0 319.361 0.835 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@H](CO)C1 ZINC000408351230 160090664 /nfs/dbraw/zinc/09/06/64/160090664.db2.gz ZBMBESVBDVXEOO-MJBXVCDLSA-N 0 0 300.399 0.983 10 0 DCAERN CN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CC1(C)C ZINC000408359578 160091571 /nfs/dbraw/zinc/09/15/71/160091571.db2.gz VICDJMFVSVFKJW-LLVKDONJSA-N 0 0 316.361 0.503 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000408362064 160092226 /nfs/dbraw/zinc/09/22/26/160092226.db2.gz LJBGZYPMITWBSX-SNVBAGLBSA-N 0 0 318.399 0.811 10 0 DCAERN CCCNS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000408360893 160092513 /nfs/dbraw/zinc/09/25/13/160092513.db2.gz AIGPMEWTFZRXOP-SNVBAGLBSA-N 0 0 301.416 0.550 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000408368084 160093852 /nfs/dbraw/zinc/09/38/52/160093852.db2.gz BRFGZINCYROKOL-AWEZNQCLSA-N 0 0 316.361 0.519 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@H]3C[C@@H](O)C3(C)C)nc2n1 ZINC000408374502 160094482 /nfs/dbraw/zinc/09/44/82/160094482.db2.gz LJRYSZZHLDUXOR-WDEREUQCSA-N 0 0 303.366 0.559 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](CO)C1)CC2 ZINC000408380588 160095816 /nfs/dbraw/zinc/09/58/16/160095816.db2.gz AUPFQYFVCPFZFU-NEPJUHHUSA-N 0 0 323.397 0.119 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408385019 160096510 /nfs/dbraw/zinc/09/65/10/160096510.db2.gz KSBBDDOBQCUWKR-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408385017 160096621 /nfs/dbraw/zinc/09/66/21/160096621.db2.gz KSBBDDOBQCUWKR-TUAOUCFPSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1cnc(CCN(C)C(=O)N2CCS(=O)(=O)CC2)s1 ZINC000408395239 160099753 /nfs/dbraw/zinc/09/97/53/160099753.db2.gz LXADCZXEAUXEMP-UHFFFAOYSA-N 0 0 317.436 0.776 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)NC(=O)NC1=O ZINC000408402045 160101149 /nfs/dbraw/zinc/10/11/49/160101149.db2.gz JPQYLBIDGNUCDR-MQIPJXDCSA-N 0 0 323.393 0.925 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)NCC2(C)CCC2)CC1 ZINC000408408897 160102589 /nfs/dbraw/zinc/10/25/89/160102589.db2.gz RMQFGOZKDMQBHC-UHFFFAOYSA-N 0 0 318.443 0.404 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)N2CCSC[C@@H]2C)C1 ZINC000408412070 160102633 /nfs/dbraw/zinc/10/26/33/160102633.db2.gz NEMNPRGLSUTFPD-JTQLQIEISA-N 0 0 321.468 0.415 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1N1CCOCC1 ZINC000408417096 160103358 /nfs/dbraw/zinc/10/33/58/160103358.db2.gz XNXZORJDJWZZIG-GHMZBOCLSA-N 0 0 307.350 0.171 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)c1=O ZINC000408417442 160103664 /nfs/dbraw/zinc/10/36/64/160103664.db2.gz RJRJRDUTFWEALV-OAHLLOKOSA-N 0 0 309.366 0.547 10 0 DCAERN CN1C[C@H](NC(=O)NCC2([S@@](C)=O)CCC2)CCC1=O ZINC000408418012 160104451 /nfs/dbraw/zinc/10/44/51/160104451.db2.gz YJVBAMBCQNZLNE-CFMSYZGJSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000408424948 160105124 /nfs/dbraw/zinc/10/51/24/160105124.db2.gz YRFHYYPLXLEWJN-XQQFMLRXSA-N 0 0 317.455 0.529 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)CC2CC2)CCN1C[C@H](C)O ZINC000408429016 160106153 /nfs/dbraw/zinc/10/61/53/160106153.db2.gz HVKIAUIYOQUDDI-JSGCOSHPSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(CC(F)F)CC1 ZINC000408427767 160106174 /nfs/dbraw/zinc/10/61/74/160106174.db2.gz RETBKJQCWWQBTF-ZJUUUORDSA-N 0 0 304.341 0.246 10 0 DCAERN Cc1nc([C@@H](C)NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cs1 ZINC000408434134 160107395 /nfs/dbraw/zinc/10/73/95/160107395.db2.gz PAXNYENLSUGTMB-VXNVDRBHSA-N 0 0 318.424 0.585 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408435151 160107625 /nfs/dbraw/zinc/10/76/25/160107625.db2.gz LIOLDXXQOZSSMD-GFCCVEGCSA-N 0 0 305.382 0.913 10 0 DCAERN CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000408438174 160107881 /nfs/dbraw/zinc/10/78/81/160107881.db2.gz GGQARBNSIYALPI-PWSUYJOCSA-N 0 0 304.412 0.773 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)N(C(C)=O)C1 ZINC000408441761 160108604 /nfs/dbraw/zinc/10/86/04/160108604.db2.gz GLAHODQJDBSRTG-UONOGXRCSA-N 0 0 320.393 0.752 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCc3ccc(O)cc3C2)N(C(C)=O)C1 ZINC000408445261 160109578 /nfs/dbraw/zinc/10/95/78/160109578.db2.gz WJNVGSNTEVHODL-JKSUJKDBSA-N 0 0 318.373 0.913 10 0 DCAERN C[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCN1CCO ZINC000408454856 160111920 /nfs/dbraw/zinc/11/19/20/160111920.db2.gz CGIYJIMRJQZOPO-SSDOTTSWSA-N 0 0 305.787 0.641 10 0 DCAERN COCC1(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000408462418 160113616 /nfs/dbraw/zinc/11/36/16/160113616.db2.gz YVNXGJNSVWNCFZ-GHMZBOCLSA-N 0 0 302.396 0.238 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000408467042 160114227 /nfs/dbraw/zinc/11/42/27/160114227.db2.gz KFZYJIADHYBZJV-SDDRHHMPSA-N 0 0 311.407 0.720 10 0 DCAERN CC(C)N1C(=O)CN(CCN2C(=O)N[C@@H](C)C2=O)CC1(C)C ZINC000408467420 160114505 /nfs/dbraw/zinc/11/45/05/160114505.db2.gz NRUZUDKDYCSSTE-NSHDSACASA-N 0 0 310.398 0.258 10 0 DCAERN CC(C)N1C(=O)CN(CCN2C(=O)N[C@H](C)C2=O)CC1(C)C ZINC000408467419 160114954 /nfs/dbraw/zinc/11/49/54/160114954.db2.gz NRUZUDKDYCSSTE-LLVKDONJSA-N 0 0 310.398 0.258 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000408472760 160115726 /nfs/dbraw/zinc/11/57/26/160115726.db2.gz WVPXPXRFABEGHN-MCIONIFRSA-N 0 0 312.410 0.776 10 0 DCAERN C[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)N1CCc2ccccc2C1 ZINC000408475122 160116400 /nfs/dbraw/zinc/11/64/00/160116400.db2.gz BPXRZRCGOOLMNW-NSHDSACASA-N 0 0 324.402 0.278 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cscn2)C1 ZINC000050408384 286892895 /nfs/dbraw/zinc/89/28/95/286892895.db2.gz WLOQSXJUKPIGCC-VIFPVBQESA-N 0 0 303.409 0.431 10 0 DCAERN CN(C)c1ncccc1CNC(=O)CCSc1nnnn1C ZINC000058145432 286900129 /nfs/dbraw/zinc/90/01/29/286900129.db2.gz JZDHPCDGJYRJQQ-UHFFFAOYSA-N 0 0 321.410 0.470 10 0 DCAERN Cc1ccc(OCCN(C)C(=O)[C@H](C)NS(C)(=O)=O)cc1 ZINC000063091028 286902736 /nfs/dbraw/zinc/90/27/36/286902736.db2.gz LRYPETYYKCDDEK-LBPRGKRZSA-N 0 0 314.407 0.770 10 0 DCAERN Cc1n[nH]cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000070286553 286909960 /nfs/dbraw/zinc/90/99/60/286909960.db2.gz JHAUHFFFPRERBN-QMMMGPOBSA-N 0 0 308.363 0.857 10 0 DCAERN O=C(NCCN1CCOCC1)Nc1cnn(-c2ncccn2)c1 ZINC000072561508 286911212 /nfs/dbraw/zinc/91/12/12/286911212.db2.gz SWECHRKQOCKUNN-UHFFFAOYSA-N 0 0 317.353 0.116 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cccn(C)c1=O ZINC000079012282 286923077 /nfs/dbraw/zinc/92/30/77/286923077.db2.gz VAAQACAOOQPOEG-INIZCTEOSA-N 0 0 323.393 0.627 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000091414383 286935959 /nfs/dbraw/zinc/93/59/59/286935959.db2.gz PFIQHZNDTFKTSQ-UHFFFAOYSA-N 0 0 315.373 0.708 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000121427541 286955212 /nfs/dbraw/zinc/95/52/12/286955212.db2.gz ZQYXKJSWLVDXNM-UHFFFAOYSA-N 0 0 300.156 0.985 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000124217624 286962950 /nfs/dbraw/zinc/96/29/50/286962950.db2.gz HBOMXECNXNMEMU-CBAPKCEASA-N 0 0 310.379 0.502 10 0 DCAERN COC[C@@H](C)S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000125775549 286968092 /nfs/dbraw/zinc/96/80/92/286968092.db2.gz LONPANIYLBMJRT-SECBINFHSA-N 0 0 302.400 0.537 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000366179516 304445004 /nfs/dbraw/zinc/44/50/04/304445004.db2.gz PUEQRGRAHYWZSA-UONOGXRCSA-N 0 0 315.373 0.602 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1ccc(COC)o1 ZINC000126617230 286972794 /nfs/dbraw/zinc/97/27/94/286972794.db2.gz OPIHDECKLSDUMY-UHFFFAOYSA-N 0 0 304.368 0.485 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000126626336 286973157 /nfs/dbraw/zinc/97/31/57/286973157.db2.gz XAICPFNUEDDERT-QMMMGPOBSA-N 0 0 323.271 0.866 10 0 DCAERN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000128917201 286985536 /nfs/dbraw/zinc/98/55/36/286985536.db2.gz XFIVDGFKUVBNLZ-LPWJVIDDSA-N 0 0 306.428 0.433 10 0 DCAERN CC(C)C(=O)NCCN(C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000129101658 286986468 /nfs/dbraw/zinc/98/64/68/286986468.db2.gz NMKZDAXNQKCDFK-LLVKDONJSA-N 0 0 309.366 0.629 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCS1(=O)=O ZINC000246915720 296840928 /nfs/dbraw/zinc/84/09/28/296840928.db2.gz FGRJXHAJOLEMOR-LPWJVIDDSA-N 0 0 316.423 0.773 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000129569920 286988932 /nfs/dbraw/zinc/98/89/32/286988932.db2.gz OVGZZROXAWVBMX-UHFFFAOYSA-N 0 0 316.405 0.998 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccncc1F ZINC000132010593 287003115 /nfs/dbraw/zinc/00/31/15/287003115.db2.gz PJKYFNNVOKWNRA-UHFFFAOYSA-N 0 0 314.276 0.863 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](C)[C@@H](C)CO)c1C ZINC000131395821 287000028 /nfs/dbraw/zinc/00/00/28/287000028.db2.gz ZYYCRIREGZOUKR-GXSJLCMTSA-N 0 0 314.407 0.698 10 0 DCAERN CCc1nn(C)c(OC)c1CNc1cncc(OCCO)n1 ZINC000133780206 287012821 /nfs/dbraw/zinc/01/28/21/287012821.db2.gz BWNULDIWZLQYLG-UHFFFAOYSA-N 0 0 307.354 0.764 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2[C@@H](C)CC[C@@H]2C)n(C)n1 ZINC000134289509 287015777 /nfs/dbraw/zinc/01/57/77/287015777.db2.gz WGPRUJYWQGPJCQ-QWRGUYRKSA-N 0 0 308.382 0.947 10 0 DCAERN CNC(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000151169660 287032408 /nfs/dbraw/zinc/03/24/08/287032408.db2.gz HZCBFFJMMXYJMN-UHFFFAOYSA-N 0 0 300.318 0.736 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000151265430 287032783 /nfs/dbraw/zinc/03/27/83/287032783.db2.gz SADSKTLIPULTIL-UHFFFAOYSA-N 0 0 300.318 0.153 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccn(-c2ccccc2F)n1 ZINC000152137789 287039049 /nfs/dbraw/zinc/03/90/49/287039049.db2.gz SRDHQVVDWHWFQU-SNVBAGLBSA-N 0 0 316.292 0.546 10 0 DCAERN COCCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCCOC ZINC000152987697 287046084 /nfs/dbraw/zinc/04/60/84/287046084.db2.gz GLPNKFLVZOWTDD-BETUJISGSA-N 0 0 300.399 0.708 10 0 DCAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCC(N)=O)C(C)C ZINC000173014717 287052353 /nfs/dbraw/zinc/05/23/53/287052353.db2.gz GOGCHFGHLLRJSY-CQSZACIVSA-N 0 0 305.378 0.741 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnc(-c2ccccn2)s1 ZINC000153443708 287050102 /nfs/dbraw/zinc/05/01/02/287050102.db2.gz RBVHWLSRDOHYQY-QMMMGPOBSA-N 0 0 316.342 0.740 10 0 DCAERN Cn1nccc1CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000163481225 287051165 /nfs/dbraw/zinc/05/11/65/287051165.db2.gz PYHJEQHTBJAWMF-UHFFFAOYSA-N 0 0 308.363 0.639 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NC2Cc3ccccc3C2)C1=O ZINC000185750803 287056987 /nfs/dbraw/zinc/05/69/87/287056987.db2.gz OAKQSMYCYSYUMJ-UHFFFAOYSA-N 0 0 301.346 0.600 10 0 DCAERN COC(=O)CCN1CCN(Cc2nc(N(C)C)no2)[C@@H](C)C1 ZINC000192787125 287060216 /nfs/dbraw/zinc/06/02/16/287060216.db2.gz ICLJVMIDFSOFJG-NSHDSACASA-N 0 0 311.386 0.205 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cnn1C ZINC000245627592 287071656 /nfs/dbraw/zinc/07/16/56/287071656.db2.gz GXFTXBSNUOTBFB-NXEZZACHSA-N 0 0 302.400 0.172 10 0 DCAERN O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000245624072 287071691 /nfs/dbraw/zinc/07/16/91/287071691.db2.gz OOQKNXMEXZYWER-PYHGIMPFSA-N 0 0 324.421 0.993 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245673916 287071808 /nfs/dbraw/zinc/07/18/08/287071808.db2.gz PYVJKWPYNIQUEN-MNOVXSKESA-N 0 0 312.457 0.376 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408354312 292511704 /nfs/dbraw/zinc/51/17/04/292511704.db2.gz JMMXAPPPJQRZGK-RWMBFGLXSA-N 0 0 322.427 0.078 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@@H](C)COC)CCN1C[C@H](C)O ZINC000246095615 287076817 /nfs/dbraw/zinc/07/68/17/287076817.db2.gz LEKMNWURIXAYRU-RWMBFGLXSA-N 0 0 308.444 0.128 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246203049 287079142 /nfs/dbraw/zinc/07/91/42/287079142.db2.gz OSQGVTAPVPFLTH-ZJUUUORDSA-N 0 0 317.411 0.778 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000246278289 287080446 /nfs/dbraw/zinc/08/04/46/287080446.db2.gz HOQYBCPWRNADNJ-XLDPMVHQSA-N 0 0 308.284 0.990 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000246292469 287080773 /nfs/dbraw/zinc/08/07/73/287080773.db2.gz VETHPURXLCZZMO-PWSUYJOCSA-N 0 0 303.428 0.850 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000246531602 287085163 /nfs/dbraw/zinc/08/51/63/287085163.db2.gz PPVZJTKZPWQMPK-CBBWQLFWSA-N 0 0 318.373 0.948 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CCN1CC(F)F ZINC000246350600 287081956 /nfs/dbraw/zinc/08/19/56/287081956.db2.gz FJTCWQWRZMVFJC-QWRGUYRKSA-N 0 0 318.368 0.588 10 0 DCAERN C[C@@H]1CC[C@@H](CCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)O1 ZINC000247458774 287094007 /nfs/dbraw/zinc/09/40/07/287094007.db2.gz QFSSFPBKAHSBOU-UTUOFQBUSA-N 0 0 304.412 0.484 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@H]1C ZINC000246972520 287089581 /nfs/dbraw/zinc/08/95/81/287089581.db2.gz DXVCRVWVLRSRRC-OLZOCXBDSA-N 0 0 306.428 0.005 10 0 DCAERN COC[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000247200859 287091821 /nfs/dbraw/zinc/09/18/21/287091821.db2.gz LQFDODBOVYOWMF-FRRDWIJNSA-N 0 0 306.428 0.699 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)no1 ZINC000248404311 287096496 /nfs/dbraw/zinc/09/64/96/287096496.db2.gz PZLNAVHCNLESAI-RKDXNWHRSA-N 0 0 304.372 0.164 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000248911016 287103526 /nfs/dbraw/zinc/10/35/26/287103526.db2.gz IYULIYGRHPVYSS-WXHSDQCUSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CCN1CC(F)(F)F ZINC000248981569 287104366 /nfs/dbraw/zinc/10/43/66/287104366.db2.gz VPMHGUFLCDDRFO-UTLUCORTSA-N 0 0 323.315 0.114 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000249007528 287104836 /nfs/dbraw/zinc/10/48/36/287104836.db2.gz ZRTCGJGGZCQZCS-UPJWGTAASA-N 0 0 318.439 0.732 10 0 DCAERN CCC1(CC)CN([C@H](C)C(=O)NCC(=O)OC)CC[S@]1=O ZINC000249069113 287106084 /nfs/dbraw/zinc/10/60/84/287106084.db2.gz ZXYUJLMMCQRFHK-WSVYEEACSA-N 0 0 318.439 0.287 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)[C@H](C)COC)CC[S@@]1=O ZINC000249063591 287105580 /nfs/dbraw/zinc/10/55/80/287105580.db2.gz YZMWHKWIRODPLR-ZMZPIMSZSA-N 0 0 311.469 0.974 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H](CO)O1 ZINC000249439287 287111009 /nfs/dbraw/zinc/11/10/09/287111009.db2.gz SQTWYTJVLFPNDX-CBBWQLFWSA-N 0 0 312.410 0.238 10 0 DCAERN CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000373829175 287117876 /nfs/dbraw/zinc/11/78/76/287117876.db2.gz QFDXKPARQDOVLE-QNWHQSFQSA-N 0 0 318.439 0.825 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1C ZINC000249915114 287118455 /nfs/dbraw/zinc/11/84/55/287118455.db2.gz XFFSBIYNGOYEHP-SCZZXKLOSA-N 0 0 300.384 0.003 10 0 DCAERN CO[C@@H]1CN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005537 287120314 /nfs/dbraw/zinc/12/03/14/287120314.db2.gz WZYYDNYCWFODMV-UMSGYPCISA-N 0 0 318.439 0.035 10 0 DCAERN CC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000408347413 287133446 /nfs/dbraw/zinc/13/34/46/287133446.db2.gz YSDYRLWGQFJCAH-DGCLKSJQSA-N 0 0 305.396 0.218 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358308335 287206284 /nfs/dbraw/zinc/20/62/84/287206284.db2.gz ONUNRCTVSLWSBM-AWEZNQCLSA-N 0 0 320.389 0.489 10 0 DCAERN CC(C)[C@H](C(=O)NC[C@@H](CO)C1CC1)N1CCCS1(=O)=O ZINC000358309383 287206651 /nfs/dbraw/zinc/20/66/51/287206651.db2.gz PSHDOMIIJOYRGW-QWHCGFSZSA-N 0 0 318.439 0.181 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)CN2CCCCC2=O)no1 ZINC000358389519 287207422 /nfs/dbraw/zinc/20/74/22/287207422.db2.gz SVKMPKLBHQJDRW-SNVBAGLBSA-N 0 0 310.354 0.796 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCCn2cccn2)no1 ZINC000358790476 287213884 /nfs/dbraw/zinc/21/38/84/287213884.db2.gz KXCQUOBBKQVVEE-UHFFFAOYSA-N 0 0 321.337 0.892 10 0 DCAERN COc1cc(CNC(=O)N2CCN3CCOC[C@H]3C2)ccc1O ZINC000363876665 287219174 /nfs/dbraw/zinc/21/91/74/287219174.db2.gz RUMDEXVPFYLKPK-CYBMUJFWSA-N 0 0 321.377 0.627 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC000363880020 287219469 /nfs/dbraw/zinc/21/94/69/287219469.db2.gz RNKALAMIUYBTTC-IUODEOHRSA-N 0 0 310.398 0.165 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)C3(C(=O)N(C)C)CC3)CCN2C)n1 ZINC000408060531 287233220 /nfs/dbraw/zinc/23/32/20/287233220.db2.gz JPMUDLLBZORXNV-NSHDSACASA-N 0 0 321.381 0.062 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccnn1 ZINC000488949071 412428162 /nfs/dbraw/zinc/42/81/62/412428162.db2.gz QOCAIWLIRRZNFD-DTWKUNHWSA-N 0 0 309.326 0.054 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCSC[C@H]2CCO)CC(=O)N1 ZINC000408205754 287267992 /nfs/dbraw/zinc/26/79/92/287267992.db2.gz YXCSLORQLGKMKV-IJLUTSLNSA-N 0 0 300.424 0.618 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2cncn2)cc1 ZINC000025692371 415166481 /nfs/dbraw/zinc/16/64/81/415166481.db2.gz XTFWWQRFBAKQDV-LLVKDONJSA-N 0 0 324.344 0.852 10 0 DCAERN NC(=O)C1CCN(c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC000268208790 415176049 /nfs/dbraw/zinc/17/60/49/415176049.db2.gz GIQCOVFFGVMVQX-UHFFFAOYSA-N 0 0 317.393 0.851 10 0 DCAERN Cc1cc(C)n2c(nnc2SC[C@@H](O)CN2CCOCC2)n1 ZINC000038391750 415194399 /nfs/dbraw/zinc/19/43/99/415194399.db2.gz IVMJBKGWOZYXJS-LBPRGKRZSA-N 0 0 323.422 0.526 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000268435400 415213693 /nfs/dbraw/zinc/21/36/93/415213693.db2.gz JXGOSSONABEVQC-UKRRQHHQSA-N 0 0 308.382 0.856 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCCNC(=O)C1CC1 ZINC000047996489 415283377 /nfs/dbraw/zinc/28/33/77/415283377.db2.gz USCREOITGMKNCQ-UHFFFAOYSA-N 0 0 318.377 0.242 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000070303044 415406852 /nfs/dbraw/zinc/40/68/52/415406852.db2.gz HBIURXDCWNJDCD-UHFFFAOYSA-N 0 0 313.375 0.548 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)cc1 ZINC000070303169 415406954 /nfs/dbraw/zinc/40/69/54/415406954.db2.gz YNUPQTGLMCTHNC-CYBMUJFWSA-N 0 0 313.375 0.451 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000073650915 415424402 /nfs/dbraw/zinc/42/44/02/415424402.db2.gz AHNKEFWLUDMJRR-UONOGXRCSA-N 0 0 310.442 0.981 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000074227917 415427903 /nfs/dbraw/zinc/42/79/03/415427903.db2.gz NLYDYXYKXJYQGN-ZFWWWQNUSA-N 0 0 313.361 0.651 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)c3ccon3)CC2)CC1 ZINC000066858859 415371084 /nfs/dbraw/zinc/37/10/84/415371084.db2.gz VWFSHXOFHPQOCK-UHFFFAOYSA-N 0 0 320.393 0.691 10 0 DCAERN CCc1cnc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)s1 ZINC000074119775 415429165 /nfs/dbraw/zinc/42/91/65/415429165.db2.gz KKVPMSVYYVEATB-UHFFFAOYSA-N 0 0 324.406 0.695 10 0 DCAERN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332800731 415482259 /nfs/dbraw/zinc/48/22/59/415482259.db2.gz WNPFODJWABDXDR-QEJZJMRPSA-N 0 0 318.425 0.935 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000278785399 415488659 /nfs/dbraw/zinc/48/86/59/415488659.db2.gz PQYCKQPSANDEHH-MRXNPFEDSA-N 0 0 316.405 0.399 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCCOC1 ZINC000084542313 415496557 /nfs/dbraw/zinc/49/65/57/415496557.db2.gz QZRDJMJDJGZFQU-JTQLQIEISA-N 0 0 316.379 0.747 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CCS1(=O)=O ZINC000332877679 415499182 /nfs/dbraw/zinc/49/91/82/415499182.db2.gz DUMYAHOJYNKFGN-VHSXEESVSA-N 0 0 312.395 0.096 10 0 DCAERN Cc1cnn(CCNC(=O)c2cn(C)nc2[C@@H]2CCOC2)c1 ZINC000276137253 415436297 /nfs/dbraw/zinc/43/62/97/415436297.db2.gz ZMQIESOBUYIWTK-GFCCVEGCSA-N 0 0 303.366 0.859 10 0 DCAERN CC1(C)SC[C@H]1NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000332727448 415459123 /nfs/dbraw/zinc/45/91/23/415459123.db2.gz VTQFXAKLEJBZNE-RKDXNWHRSA-N 0 0 307.441 0.343 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)C[C@H](C)O1 ZINC000333028320 415534113 /nfs/dbraw/zinc/53/41/13/415534113.db2.gz BPKCJDYBQPDRBT-CRWXNKLISA-N 0 0 318.439 0.699 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333116880 415560807 /nfs/dbraw/zinc/56/08/07/415560807.db2.gz FZKMCQUPBLLFKM-FRRDWIJNSA-N 0 0 315.439 0.852 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc(F)cn1)c2=O ZINC000103014789 415606810 /nfs/dbraw/zinc/60/68/10/415606810.db2.gz HWZZRQBRFVPBNS-UHFFFAOYSA-N 0 0 302.269 0.303 10 0 DCAERN COc1ccc(N2CCN(C(=O)Cc3cc[nH]n3)CC2)nc1 ZINC000333312469 415608338 /nfs/dbraw/zinc/60/83/38/415608338.db2.gz FCQRLDFYFCHVHJ-UHFFFAOYSA-N 0 0 301.350 0.705 10 0 DCAERN c1cc(N[C@@H]2CCCOC2)nc(N2CCN(C3CC3)CC2)n1 ZINC000333331843 415611881 /nfs/dbraw/zinc/61/18/81/415611881.db2.gz YWGMQXAYOLRBTO-CYBMUJFWSA-N 0 0 303.410 1.352 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000104890359 415626374 /nfs/dbraw/zinc/62/63/74/415626374.db2.gz QKPGNBFHKCELAU-GFCCVEGCSA-N 0 0 315.373 0.770 10 0 DCAERN CCOc1ncccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104781183 415626927 /nfs/dbraw/zinc/62/69/27/415626927.db2.gz KKCZGANTEOEMTO-CYBMUJFWSA-N 0 0 308.382 0.610 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817285 415636965 /nfs/dbraw/zinc/63/69/65/415636965.db2.gz ZQLWTMANSYQFAW-INIZCTEOSA-N 0 0 319.405 0.343 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N[C@@H]2CCc3ccccc3C2)C1=O ZINC000333404715 415638064 /nfs/dbraw/zinc/63/80/64/415638064.db2.gz OOFQHLOUPCGAFH-KGLIPLIRSA-N 0 0 315.373 0.991 10 0 DCAERN CC1(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000333447378 415651647 /nfs/dbraw/zinc/65/16/47/415651647.db2.gz QXVIUDIBKKFNOG-UHFFFAOYSA-N 0 0 322.452 0.415 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000096998434 415580168 /nfs/dbraw/zinc/58/01/68/415580168.db2.gz ZLFZGQGAFDALIP-ZDUSSCGKSA-N 0 0 303.428 0.708 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCS(=O)(=O)C1 ZINC000333207591 415581610 /nfs/dbraw/zinc/58/16/10/415581610.db2.gz CBQVHNWECSGNES-RAIGVLPGSA-N 0 0 316.423 0.630 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000283529529 415588699 /nfs/dbraw/zinc/58/86/99/415588699.db2.gz GIYHRVFLKFPNNU-KGLIPLIRSA-N 0 0 318.377 0.839 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCSCC3)ncn2)CC(=O)N1C ZINC000283487282 415590052 /nfs/dbraw/zinc/59/00/52/415590052.db2.gz KTBJVOILJPUXLA-LLVKDONJSA-N 0 0 307.423 0.697 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NCCN2CCSCC2)CCO1 ZINC000333452606 415651975 /nfs/dbraw/zinc/65/19/75/415651975.db2.gz SBPRCURSVMJJLT-VXGBXAGGSA-N 0 0 308.469 0.522 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000333443520 415654037 /nfs/dbraw/zinc/65/40/37/415654037.db2.gz QDOBXFARKZECQT-WOPDTQHZSA-N 0 0 318.439 0.873 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@@H](SC)C2)nn1 ZINC000333557615 415680787 /nfs/dbraw/zinc/68/07/87/415680787.db2.gz KKUYLAVRTWSGMG-YUSALJHKSA-N 0 0 312.395 0.442 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1c1ncc(S(N)(=O)=O)s1 ZINC000343700397 415688982 /nfs/dbraw/zinc/68/89/82/415688982.db2.gz CVIUXFKIYKDDFJ-HTQZYQBOSA-N 0 0 307.397 0.031 10 0 DCAERN CC(C)NC(=O)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112165003 415704675 /nfs/dbraw/zinc/70/46/75/415704675.db2.gz JEGPKOCBHPJANQ-UHFFFAOYSA-N 0 0 307.379 0.798 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C1CC1 ZINC000333650908 415706547 /nfs/dbraw/zinc/70/65/47/415706547.db2.gz KIOQLQVOFYZBOO-MYPMTAMASA-N 0 0 311.426 0.914 10 0 DCAERN C[C@@H](C(=O)NCC1(C)COC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000112619146 415712139 /nfs/dbraw/zinc/71/21/39/415712139.db2.gz MEEWSIYNUWKRLR-SDDRHHMPSA-N 0 0 308.378 0.703 10 0 DCAERN CC1(C)CN(C(=O)C[C@H]2CCCC[C@@H]2O)CCS1(=O)=O ZINC000343759027 415712264 /nfs/dbraw/zinc/71/22/64/415712264.db2.gz GYTVPNAEFQTHPG-NEPJUHHUSA-N 0 0 303.424 0.963 10 0 DCAERN CCOC(=O)CN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000119215322 415742284 /nfs/dbraw/zinc/74/22/84/415742284.db2.gz ZPWZDSXXGFGOFU-UHFFFAOYSA-N 0 0 308.382 0.869 10 0 DCAERN C[C@]1(CNC(=O)NC(CO)CO)CCC[N@@H+]1Cc1ccccc1 ZINC000119628864 415747103 /nfs/dbraw/zinc/74/71/03/415747103.db2.gz MEIRSWXFDRTVFB-QGZVFWFLSA-N 0 0 321.421 0.694 10 0 DCAERN O=C(NC(CO)CO)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000119643965 415747184 /nfs/dbraw/zinc/74/71/84/415747184.db2.gz NQHHEIZZEQNQHV-UHFFFAOYSA-N 0 0 303.318 0.697 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000120522981 415770113 /nfs/dbraw/zinc/77/01/13/415770113.db2.gz UTYNMYBTEBZYMD-WDEREUQCSA-N 0 0 314.407 0.684 10 0 DCAERN O=C1[C@@H](N2CCNC(=O)CC2)CCN1c1c(F)cccc1F ZINC000120179455 415757771 /nfs/dbraw/zinc/75/77/71/415757771.db2.gz SKXWEIGWDGMKQC-LBPRGKRZSA-N 0 0 309.316 0.892 10 0 DCAERN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC(CO)C1 ZINC000122324493 415833308 /nfs/dbraw/zinc/83/33/08/415833308.db2.gz ITEAQFXACHJJQR-JTQLQIEISA-N 0 0 315.366 0.686 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)c1 ZINC000122347256 415833880 /nfs/dbraw/zinc/83/38/80/415833880.db2.gz QWYXRURWFKJLIY-LBPRGKRZSA-N 0 0 324.402 0.887 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@@H](C(N)=O)O1 ZINC000122952050 415835990 /nfs/dbraw/zinc/83/59/90/415835990.db2.gz NMLDNOZIRSHLRX-DGAVXFQQSA-N 0 0 311.426 0.598 10 0 DCAERN Cn1nccc1CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000121751688 415816297 /nfs/dbraw/zinc/81/62/97/415816297.db2.gz QYZRNOOXCBLIDY-SNVBAGLBSA-N 0 0 302.400 0.000 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000126395454 415874477 /nfs/dbraw/zinc/87/44/77/415874477.db2.gz FXRRGRQEVWVBCR-NSHDSACASA-N 0 0 301.346 0.493 10 0 DCAERN COC[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)C1CC1 ZINC000126686126 415879005 /nfs/dbraw/zinc/87/90/05/415879005.db2.gz GZVCYZNGMZROFK-LLVKDONJSA-N 0 0 304.412 0.630 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cnc1Cl ZINC000129862869 415913259 /nfs/dbraw/zinc/91/32/59/415913259.db2.gz OPVYOVREKIZVLF-VIFPVBQESA-N 0 0 324.768 0.719 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)c1cnn(CC)c1 ZINC000125252493 415861785 /nfs/dbraw/zinc/86/17/85/415861785.db2.gz SPKJQIYZSKACJL-LLVKDONJSA-N 0 0 316.365 0.891 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CCC1=O ZINC000133839337 415950415 /nfs/dbraw/zinc/95/04/15/415950415.db2.gz ZGTCFRAJFXWTFV-WCQYABFASA-N 0 0 302.330 0.505 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000151087292 415964253 /nfs/dbraw/zinc/96/42/53/415964253.db2.gz NCWYQEUOMCEXBF-QWRGUYRKSA-N 0 0 305.382 0.660 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000153255722 415977966 /nfs/dbraw/zinc/97/79/66/415977966.db2.gz AZMILABBBQJNFK-GFCCVEGCSA-N 0 0 323.397 0.069 10 0 DCAERN C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000155031475 415992324 /nfs/dbraw/zinc/99/23/24/415992324.db2.gz LYLXOQMUEWNYHP-LSDHHAIUSA-N 0 0 318.421 0.887 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000132352730 415932998 /nfs/dbraw/zinc/93/29/98/415932998.db2.gz YFMSHWIICSESQE-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@H](c2nccs2)C1 ZINC000132788739 415935039 /nfs/dbraw/zinc/93/50/39/415935039.db2.gz LBZMKCPMIOIJPT-NSHDSACASA-N 0 0 319.452 0.846 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000133017435 415937498 /nfs/dbraw/zinc/93/74/98/415937498.db2.gz BRYLDUPQNFGQQS-TUAOUCFPSA-N 0 0 306.428 0.745 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000173027610 416050583 /nfs/dbraw/zinc/05/05/83/416050583.db2.gz XKXWIRANACRVIP-VXGBXAGGSA-N 0 0 318.439 0.717 10 0 DCAERN CC[C@H](OC1CCCC1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084467 416052421 /nfs/dbraw/zinc/05/24/21/416052421.db2.gz CBVICYKTXATHIQ-LBPRGKRZSA-N 0 0 309.366 0.760 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000173456035 416058826 /nfs/dbraw/zinc/05/88/26/416058826.db2.gz RVHJYNISNQMFOH-ZWNOBZJWSA-N 0 0 306.410 0.953 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173534816 416060022 /nfs/dbraw/zinc/06/00/22/416060022.db2.gz QGMWUVYYNXQPML-LLVKDONJSA-N 0 0 309.370 0.319 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)[nH]1 ZINC000173538220 416060998 /nfs/dbraw/zinc/06/09/98/416060998.db2.gz PSPUSDICZVMTAV-NSHDSACASA-N 0 0 323.397 0.565 10 0 DCAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661113 416061368 /nfs/dbraw/zinc/06/13/68/416061368.db2.gz XXPLRYYOOXQQIW-DZGCQCFKSA-N 0 0 318.377 0.926 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173795656 416066086 /nfs/dbraw/zinc/06/60/86/416066086.db2.gz SXAJDACKSJJPME-OAHLLOKOSA-N 0 0 321.425 0.767 10 0 DCAERN COC[C@@]1(C)NC(=O)N(Cc2nc(-c3ccoc3)no2)C1=O ZINC000174138742 416073329 /nfs/dbraw/zinc/07/33/29/416073329.db2.gz LTOCEWPDLLHOAX-CYBMUJFWSA-N 0 0 306.278 0.787 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@@H]2CCOc3ccccc32)nn1 ZINC000174175270 416074468 /nfs/dbraw/zinc/07/44/68/416074468.db2.gz BDGJAXBPCNLOTM-SNVBAGLBSA-N 0 0 301.306 0.017 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000174273098 416074881 /nfs/dbraw/zinc/07/48/81/416074881.db2.gz GLYJQEFMBKUUGJ-LBPRGKRZSA-N 0 0 318.385 0.327 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000158805160 416002958 /nfs/dbraw/zinc/00/29/58/416002958.db2.gz NLUIBGRZTCUZCK-UWVGGRQHSA-N 0 0 301.364 0.768 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2 ZINC000161588933 416013864 /nfs/dbraw/zinc/01/38/64/416013864.db2.gz YQCRGMKAQQNOBE-GHMZBOCLSA-N 0 0 320.397 0.246 10 0 DCAERN NC(=O)CSCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163726082 416014694 /nfs/dbraw/zinc/01/46/94/416014694.db2.gz SQQMGXWDNHXMST-UHFFFAOYSA-N 0 0 319.390 0.349 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1cccnc1)c1cccs1 ZINC000165742291 416020358 /nfs/dbraw/zinc/02/03/58/416020358.db2.gz IEUWVXGKBWHHQS-HNNXBMFYSA-N 0 0 319.386 0.897 10 0 DCAERN CCN1CCO[C@H](CNc2ccccc2S(=O)(=O)NC)C1 ZINC000166103434 416021806 /nfs/dbraw/zinc/02/18/06/416021806.db2.gz PVXKHZJIXYVOOA-GFCCVEGCSA-N 0 0 313.423 0.727 10 0 DCAERN O=C(NCCCOCCO)NCC[C@@H]1COc2ccccc2O1 ZINC000357143632 416037444 /nfs/dbraw/zinc/03/74/44/416037444.db2.gz VPDSTLIMWDQUNN-CYBMUJFWSA-N 0 0 324.377 0.915 10 0 DCAERN COCCN(CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171732368 416040578 /nfs/dbraw/zinc/04/05/78/416040578.db2.gz PWVJRPAKLMVGOB-LBPRGKRZSA-N 0 0 306.428 0.037 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)Cn2nnn(C3CC3)c2=O)c1 ZINC000357450180 416082434 /nfs/dbraw/zinc/08/24/34/416082434.db2.gz HKQKZQNQKYVQRK-CYBMUJFWSA-N 0 0 318.333 0.417 10 0 DCAERN CCc1cc(=O)n2nc(N3CCC[C@H](CC(N)=O)C3)sc2n1 ZINC000301471416 416083590 /nfs/dbraw/zinc/08/35/90/416083590.db2.gz JYVXVUCBXGNHCR-SECBINFHSA-N 0 0 321.406 0.805 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCc2ncc[nH]2)[C@H]1c1cccnc1 ZINC000174755202 416085608 /nfs/dbraw/zinc/08/56/08/416085608.db2.gz MGOFCURQVXGZGN-SWLSCSKDSA-N 0 0 313.361 0.683 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000357934424 416155348 /nfs/dbraw/zinc/15/53/48/416155348.db2.gz VTRKGKKZIVQMRW-LBPRGKRZSA-N 0 0 313.361 0.960 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc[nH]n2)ncn1 ZINC000174742815 416086897 /nfs/dbraw/zinc/08/68/97/416086897.db2.gz KWAFUOCOVIQYAF-GFCCVEGCSA-N 0 0 315.381 0.569 10 0 DCAERN NC(=O)c1cncc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000301684255 416087801 /nfs/dbraw/zinc/08/78/01/416087801.db2.gz UWIUMFVYJKXRFC-LLVKDONJSA-N 0 0 303.366 0.779 10 0 DCAERN CNC(=O)[C@H](Nc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000301782898 416091858 /nfs/dbraw/zinc/09/18/58/416091858.db2.gz NSGUDTIKRDRWAY-LLVKDONJSA-N 0 0 300.384 0.172 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000174973899 416092483 /nfs/dbraw/zinc/09/24/83/416092483.db2.gz UGYLOIKLIDULDF-NEPJUHHUSA-N 0 0 306.366 0.519 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCO3)C2=O)n(C)n1 ZINC000174973915 416092923 /nfs/dbraw/zinc/09/29/23/416092923.db2.gz UGYLOIKLIDULDF-NWDGAFQWSA-N 0 0 306.366 0.519 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1nccs1 ZINC000175069686 416095572 /nfs/dbraw/zinc/09/55/72/416095572.db2.gz NWSUXRMHTOTBBM-JTQLQIEISA-N 0 0 310.423 0.700 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000175137444 416097335 /nfs/dbraw/zinc/09/73/35/416097335.db2.gz MQZLBESOFBEDIT-ZDUSSCGKSA-N 0 0 306.428 0.148 10 0 DCAERN CC(C)c1nc(NC[C@@H](O)CN2CCOCC2)nc(N(C)C)n1 ZINC000301947841 416098028 /nfs/dbraw/zinc/09/80/28/416098028.db2.gz YHUYGJOCDVLENY-GFCCVEGCSA-N 0 0 324.429 0.166 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@H](O)Cc2ccccc2Cl)C1 ZINC000357600761 416103400 /nfs/dbraw/zinc/10/34/00/416103400.db2.gz PJZIWOUODFODHY-CMPLNLGQSA-N 0 0 311.769 0.513 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000175501951 416106826 /nfs/dbraw/zinc/10/68/26/416106826.db2.gz QTFXRXCSNTTYMF-LBPRGKRZSA-N 0 0 321.425 0.762 10 0 DCAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@](O)(CO)C1 ZINC000313660695 416108827 /nfs/dbraw/zinc/10/88/27/416108827.db2.gz HHAIRDWLUYZDAQ-LBPRGKRZSA-N 0 0 307.318 0.473 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175543322 416109018 /nfs/dbraw/zinc/10/90/18/416109018.db2.gz SIEPSWYOAGGHFM-LBPRGKRZSA-N 0 0 311.345 0.423 10 0 DCAERN CCN(CC)C(=O)CN(C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507287 416109389 /nfs/dbraw/zinc/10/93/89/416109389.db2.gz MIYNMSZGJWILQB-CYBMUJFWSA-N 0 0 321.425 0.634 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000175509094 416109762 /nfs/dbraw/zinc/10/97/62/416109762.db2.gz XLZBFYQNZGEFTC-GFCCVEGCSA-N 0 0 315.439 0.301 10 0 DCAERN Cc1nnc([C@@H]2CN(c3nc(C)nc4c3cnn4C)CCO2)[nH]1 ZINC000175777969 416114348 /nfs/dbraw/zinc/11/43/48/416114348.db2.gz ZLYYOSFDHNHYLY-NSHDSACASA-N 0 0 314.353 0.676 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000175947913 416117112 /nfs/dbraw/zinc/11/71/12/416117112.db2.gz AJUULLNLZWRTGY-CYBMUJFWSA-N 0 0 309.414 0.630 10 0 DCAERN COc1nc(NC[C@@H]2CN(C)CCO2)ncc1Br ZINC000176239885 416121842 /nfs/dbraw/zinc/12/18/42/416121842.db2.gz QKHQGXXWHBRMJX-MRVPVSSYSA-N 0 0 317.187 0.990 10 0 DCAERN CN(Cc1nccn1C)c1nccc(N[C@H]2CCCOC2)n1 ZINC000328626533 416123331 /nfs/dbraw/zinc/12/33/31/416123331.db2.gz FEQSUVXFMQUCHF-LBPRGKRZSA-N 0 0 302.382 1.437 10 0 DCAERN CCC(=O)N1CC[C@@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 ZINC000328622262 416123535 /nfs/dbraw/zinc/12/35/35/416123535.db2.gz BAYSDVLPFNGAMN-OLZOCXBDSA-N 0 0 319.409 1.490 10 0 DCAERN CC(C)OCCS(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000176470550 416125611 /nfs/dbraw/zinc/12/56/11/416125611.db2.gz WTPJOMABPQPKKW-UHFFFAOYSA-N 0 0 311.367 0.829 10 0 DCAERN COc1csc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000176480255 416126995 /nfs/dbraw/zinc/12/69/95/416126995.db2.gz SRBSZVQCURVHIQ-CQSZACIVSA-N 0 0 314.407 0.570 10 0 DCAERN CN(Cc1nnnn1C)C(=O)COC/C=C/c1ccccc1 ZINC000357748889 416127067 /nfs/dbraw/zinc/12/70/67/416127067.db2.gz LLKNCYIZOGYRCS-RMKNXTFCSA-N 0 0 301.350 0.899 10 0 DCAERN OC[C@@H](CNc1cc(NC[C@H](CO)C2CC2)ncn1)C1CC1 ZINC000357774146 416130807 /nfs/dbraw/zinc/13/08/07/416130807.db2.gz JSBPRZRDJAIAFW-ZIAGYGMSSA-N 0 0 306.410 1.337 10 0 DCAERN CN(C(=O)NC[C@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000176658404 416131256 /nfs/dbraw/zinc/13/12/56/416131256.db2.gz ZYOCSZMDCGYLJT-AWEZNQCLSA-N 0 0 311.357 0.665 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000176756375 416132932 /nfs/dbraw/zinc/13/29/32/416132932.db2.gz ZXMXLHGTXKHFHS-LBPRGKRZSA-N 0 0 315.373 0.604 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328856930 416135742 /nfs/dbraw/zinc/13/57/42/416135742.db2.gz DBVKEACYQJVDGB-QLFBSQMISA-N 0 0 309.410 0.319 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)Nc2c(C)nn(C)c2C)CCO1 ZINC000357812103 416135748 /nfs/dbraw/zinc/13/57/48/416135748.db2.gz XZMPYNAJGKQBOV-NSHDSACASA-N 0 0 310.354 0.833 10 0 DCAERN COCCCOC1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000176909623 416136645 /nfs/dbraw/zinc/13/66/45/416136645.db2.gz NDVPWKAGXBBYBB-CQSZACIVSA-N 0 0 324.421 0.899 10 0 DCAERN COCCCOC1CN(C(=O)[C@H](C(C)C)N2CCCC2=O)C1 ZINC000176917622 416138520 /nfs/dbraw/zinc/13/85/20/416138520.db2.gz PBHQPQOXVMDBQN-HNNXBMFYSA-N 0 0 312.410 0.897 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@@H](C)C1 ZINC000357839404 416139847 /nfs/dbraw/zinc/13/98/47/416139847.db2.gz YBTFMTUYBAHSHC-CDGCEXEKSA-N 0 0 322.409 0.258 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC2CC2)C1 ZINC000177040074 416140852 /nfs/dbraw/zinc/14/08/52/416140852.db2.gz GGKKJAOZYCDFQS-GFCCVEGCSA-N 0 0 303.362 0.669 10 0 DCAERN COc1ccccc1NC(=O)Cn1ccnc1S(C)(=O)=O ZINC000177311778 416145143 /nfs/dbraw/zinc/14/51/43/416145143.db2.gz CLRMWFSDLYBXCU-UHFFFAOYSA-N 0 0 309.347 0.934 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357867292 416145279 /nfs/dbraw/zinc/14/52/79/416145279.db2.gz DXOIBEGKLWAANP-MNOVXSKESA-N 0 0 319.427 0.072 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)COc2ccc(O)cc2)CC1 ZINC000357874159 416145284 /nfs/dbraw/zinc/14/52/84/416145284.db2.gz FPQJNONOFUFMLA-UHFFFAOYSA-N 0 0 321.377 0.051 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000177435596 416146579 /nfs/dbraw/zinc/14/65/79/416146579.db2.gz ZZCJCLUXVZENSG-HIFRSBDPSA-N 0 0 304.390 0.917 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070717 416148376 /nfs/dbraw/zinc/14/83/76/416148376.db2.gz YPNMNZGUCXHMGY-VXGBXAGGSA-N 0 0 322.413 0.970 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000177649620 416149913 /nfs/dbraw/zinc/14/99/13/416149913.db2.gz RKWBGYGQPHJASQ-QWHCGFSZSA-N 0 0 309.414 0.280 10 0 DCAERN O=S(=O)(CCCOCCc1ccccc1)C[C@@H](O)CO ZINC000177673442 416150460 /nfs/dbraw/zinc/15/04/60/416150460.db2.gz UAKZCVSOGPHFCW-AWEZNQCLSA-N 0 0 302.392 0.404 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000329146344 416152830 /nfs/dbraw/zinc/15/28/30/416152830.db2.gz XEVSOKUQHURBJJ-GOEBONIOSA-N 0 0 309.410 0.057 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000177932862 416154482 /nfs/dbraw/zinc/15/44/82/416154482.db2.gz FKEWNOGYBWVDGY-WCQYABFASA-N 0 0 306.366 0.721 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)[C@H](C)C1 ZINC000357933070 416155174 /nfs/dbraw/zinc/15/51/74/416155174.db2.gz YLYZRHYRAQBTPG-LLVKDONJSA-N 0 0 320.393 0.900 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCNC(=O)c1cccs1)C(C)C ZINC000178700801 416169144 /nfs/dbraw/zinc/16/91/44/416169144.db2.gz CDERKAQOIROKNS-GFCCVEGCSA-N 0 0 311.407 0.755 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCCOC1CCCC1 ZINC000357997214 416169255 /nfs/dbraw/zinc/16/92/55/416169255.db2.gz VFBUDFKHYFTPKW-CHWSQXEVSA-N 0 0 312.410 0.681 10 0 DCAERN CNC(=O)[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000178722032 416170627 /nfs/dbraw/zinc/17/06/27/416170627.db2.gz URWWUKFABSGVNI-CYBMUJFWSA-N 0 0 311.426 0.768 10 0 DCAERN CC(C)Oc1cccnc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178720212 416170717 /nfs/dbraw/zinc/17/07/17/416170717.db2.gz RXVDRZYCHOFMNR-ZDUSSCGKSA-N 0 0 304.394 0.598 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000178815732 416174529 /nfs/dbraw/zinc/17/45/29/416174529.db2.gz VZIZVLHMVXYHFQ-CHWSQXEVSA-N 0 0 308.444 0.130 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCc1ccccn1 ZINC000178912742 416176883 /nfs/dbraw/zinc/17/68/83/416176883.db2.gz CXRRIZFVKOPSOW-OLZOCXBDSA-N 0 0 313.423 0.958 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@]1(O)CCOC1 ZINC000178932996 416177229 /nfs/dbraw/zinc/17/72/29/416177229.db2.gz RKVUYSBJEVYKHU-INIZCTEOSA-N 0 0 309.410 0.966 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1cc(C(N)=O)ccc1F)C(C)C ZINC000178923133 416177731 /nfs/dbraw/zinc/17/77/31/416177731.db2.gz SZKZKFDKFAOBHP-LLVKDONJSA-N 0 0 310.329 0.817 10 0 DCAERN COC(=O)C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000178947103 416178354 /nfs/dbraw/zinc/17/83/54/416178354.db2.gz XUGISARHTVFUMD-NWDGAFQWSA-N 0 0 304.412 0.991 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179346639 416184005 /nfs/dbraw/zinc/18/40/05/416184005.db2.gz KRCRKYOAOBPZBP-JTQLQIEISA-N 0 0 305.338 0.397 10 0 DCAERN COCCCOC1CN(C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000179696183 416192194 /nfs/dbraw/zinc/19/21/94/416192194.db2.gz HXAHVRSNMQZUPW-UHFFFAOYSA-N 0 0 310.398 0.984 10 0 DCAERN Cn1cc(CC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cn1 ZINC000183074046 416233793 /nfs/dbraw/zinc/23/37/93/416233793.db2.gz ZKPNTUQKMGXAPE-AWEZNQCLSA-N 0 0 313.361 0.669 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000180001583 416193331 /nfs/dbraw/zinc/19/33/31/416193331.db2.gz VEZHXBCFHDOFKE-MQYQWHSLSA-N 0 0 320.455 0.823 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3noc(C)n3)C2=O)n(C)n1 ZINC000179947855 416193873 /nfs/dbraw/zinc/19/38/73/416193873.db2.gz SHUSBKQJRKZRQN-JTQLQIEISA-N 0 0 318.337 0.345 10 0 DCAERN CCCNC(=O)[C@@H](C)[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180250622 416195754 /nfs/dbraw/zinc/19/57/54/416195754.db2.gz QLIVGWOHNGCZOP-YLVJLNSGSA-N 0 0 304.441 0.768 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](OC)C2CC2)c1 ZINC000358120624 416195846 /nfs/dbraw/zinc/19/58/46/416195846.db2.gz KXMAYIJMTSDQEV-ZDUSSCGKSA-N 0 0 312.391 0.750 10 0 DCAERN O=C(N[C@@H]1CCOC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183049140 416233927 /nfs/dbraw/zinc/23/39/27/416233927.db2.gz JBJXXZOGIOXYJT-YPMHNXCESA-N 0 0 304.350 0.665 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@]2(OC)CCOC2)C1 ZINC000330186227 416197920 /nfs/dbraw/zinc/19/79/20/416197920.db2.gz JOVHYZDBOQXAMI-SUNKGSAMSA-N 0 0 311.338 0.472 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ncnn1C)CC2 ZINC000181262978 416204729 /nfs/dbraw/zinc/20/47/29/416204729.db2.gz RXWYMZOGPYWSSV-SECBINFHSA-N 0 0 304.358 0.667 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)/C=C/c2ccnn2C)cn1 ZINC000181400066 416206326 /nfs/dbraw/zinc/20/63/26/416206326.db2.gz SDMMZXPIUVMVCJ-RDFMZFSFSA-N 0 0 300.366 0.340 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)n(C)c1 ZINC000181343283 416206920 /nfs/dbraw/zinc/20/69/20/416206920.db2.gz APAIOXMJPZLADT-HNNXBMFYSA-N 0 0 315.377 0.748 10 0 DCAERN Cn1cc([C@H]2CCN(CC(=O)NCC(=O)OC(C)(C)C)C2)cn1 ZINC000181890571 416211386 /nfs/dbraw/zinc/21/13/86/416211386.db2.gz WJXSRLXCTAVONM-LBPRGKRZSA-N 0 0 322.409 0.667 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729745 416212120 /nfs/dbraw/zinc/21/21/20/416212120.db2.gz QGDJBDKBOORXSU-QWRGUYRKSA-N 0 0 316.427 0.671 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC3(CO)CCC3)C2)cn1 ZINC000181842238 416212198 /nfs/dbraw/zinc/21/21/98/416212198.db2.gz GDOACUCLEBTMGY-ZDUSSCGKSA-N 0 0 321.425 0.851 10 0 DCAERN CS(=O)(=O)NCc1ccc(C(=O)NC[C@H](CO)C2CC2)o1 ZINC000358292074 416219348 /nfs/dbraw/zinc/21/93/48/416219348.db2.gz AGTFKKUAECPUJA-SNVBAGLBSA-N 0 0 316.379 0.077 10 0 DCAERN COCc1nc(CN2CCCC[C@@H]2CN2CCOCC2)no1 ZINC000182518484 416224875 /nfs/dbraw/zinc/22/48/75/416224875.db2.gz BBMNIIZDGGOMPF-CYBMUJFWSA-N 0 0 310.398 0.903 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000182549244 416226418 /nfs/dbraw/zinc/22/64/18/416226418.db2.gz CICFPBCWWREVFT-YPMHNXCESA-N 0 0 306.362 0.836 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182716923 416230354 /nfs/dbraw/zinc/23/03/54/416230354.db2.gz PGMAIKGFVGTORQ-UHFFFAOYSA-N 0 0 309.370 0.827 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000182824827 416230832 /nfs/dbraw/zinc/23/08/32/416230832.db2.gz LKAJZBGFSLROQQ-MRXNPFEDSA-N 0 0 318.377 0.849 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)c1cnn(CCC(F)(F)F)c1 ZINC000182813760 416231177 /nfs/dbraw/zinc/23/11/77/416231177.db2.gz IBLXBXBBQPSVAK-NSHDSACASA-N 0 0 307.272 0.717 10 0 DCAERN Cc1ccc(OC2CCN([C@H](C)C(=O)NC(N)=O)CC2)nc1 ZINC000182850518 416232308 /nfs/dbraw/zinc/23/23/08/416232308.db2.gz XVBDADNOUVBMNA-LLVKDONJSA-N 0 0 306.366 0.817 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCNC(=O)c2ccsc2)C1 ZINC000178126006 416157905 /nfs/dbraw/zinc/15/79/05/416157905.db2.gz IKORMOWELQDWNP-UHFFFAOYSA-N 0 0 309.391 0.463 10 0 DCAERN Nc1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000178362519 416163473 /nfs/dbraw/zinc/16/34/73/416163473.db2.gz KLRJNJQVHWTLRM-CQSZACIVSA-N 0 0 317.389 0.980 10 0 DCAERN C[C@H](CO)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183514626 416244215 /nfs/dbraw/zinc/24/42/15/416244215.db2.gz OWXZHOAAESDNTR-AAEUAGOBSA-N 0 0 306.366 0.505 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C[C@H](O)C[C@@H]1CO ZINC000184733987 416252499 /nfs/dbraw/zinc/25/24/99/416252499.db2.gz HMJXMNPOZDSYFL-RGCMKSIDSA-N 0 0 320.389 0.442 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000186004366 416254014 /nfs/dbraw/zinc/25/40/14/416254014.db2.gz VXEOGGDEOLBOAB-BBRMVZONSA-N 0 0 310.394 0.653 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N[C@@H](C)C(=O)N(C)C)no1 ZINC000358566645 416254913 /nfs/dbraw/zinc/25/49/13/416254913.db2.gz KKNRWFQEWNUMTQ-BDAKNGLRSA-N 0 0 313.358 0.443 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CCO)Cc1ccc(C)o1 ZINC000331059747 416257603 /nfs/dbraw/zinc/25/76/03/416257603.db2.gz BFMRCZVLCDKRSF-CYBMUJFWSA-N 0 0 312.391 0.830 10 0 DCAERN COc1ncnc(OC)c1C(=O)NCc1nnc2ccccn21 ZINC000358596241 416259734 /nfs/dbraw/zinc/25/97/34/416259734.db2.gz HXSSTTJNOZDSOB-UHFFFAOYSA-N 0 0 314.305 0.467 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC000187235283 416259837 /nfs/dbraw/zinc/25/98/37/416259837.db2.gz JVPHBDDEBCLOFG-ZDUSSCGKSA-N 0 0 306.428 0.279 10 0 DCAERN Cc1cc(N2CCN(C[C@@H](O)COC3CCOCC3)CC2)n[nH]1 ZINC000187183387 416260037 /nfs/dbraw/zinc/26/00/37/416260037.db2.gz QZLYJJRQDKSYID-CQSZACIVSA-N 0 0 324.425 0.397 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cn3ccnc3s2)C[C@@H](C)O1 ZINC000188659504 416263608 /nfs/dbraw/zinc/26/36/08/416263608.db2.gz VTGQGONSNHJODJ-BDAKNGLRSA-N 0 0 309.347 0.798 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1Cc2cnnn2Cc2ccccc21 ZINC000189038671 416263958 /nfs/dbraw/zinc/26/39/58/416263958.db2.gz MBYWCAOTBGMROM-NSHDSACASA-N 0 0 311.345 0.699 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@H](C)N1C ZINC000358709927 416272270 /nfs/dbraw/zinc/27/22/70/416272270.db2.gz AIEFAWABMPBLFH-ZENOOKHLSA-N 0 0 307.394 0.150 10 0 DCAERN COC(=O)[C@H](NC[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809153 416276855 /nfs/dbraw/zinc/27/68/55/416276855.db2.gz JEEXSYOVWNECBB-UKRRQHHQSA-N 0 0 314.451 0.736 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)C[S@](C)=O ZINC000183206060 416238044 /nfs/dbraw/zinc/23/80/44/416238044.db2.gz ZMKAFJDPJXGRKZ-DDNLTXGXSA-N 0 0 313.832 0.427 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000183350832 416239128 /nfs/dbraw/zinc/23/91/28/416239128.db2.gz YRLWZTOJCHUCFK-FZKGZDJFSA-N 0 0 314.338 0.312 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)Nc1cnn(CC(N)=O)c1 ZINC000359135922 416307707 /nfs/dbraw/zinc/30/77/07/416307707.db2.gz SFSABMIAYPXNSH-UHFFFAOYSA-N 0 0 305.342 0.869 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000192550044 416308924 /nfs/dbraw/zinc/30/89/24/416308924.db2.gz HJMKFZZUPNULDD-YPMHNXCESA-N 0 0 318.439 0.495 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000192671026 416310329 /nfs/dbraw/zinc/31/03/29/416310329.db2.gz HRDGYAIQAAOEMV-GXTWGEPZSA-N 0 0 308.378 0.994 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000192787065 416311021 /nfs/dbraw/zinc/31/10/21/416311021.db2.gz HZTYJEHAIDEUKR-BXUZGUMPSA-N 0 0 306.362 0.911 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H](CO)C(C)(C)C)cc1 ZINC000192872311 416311490 /nfs/dbraw/zinc/31/14/90/416311490.db2.gz FXPRKLXMXJLRMJ-CYBMUJFWSA-N 0 0 308.378 0.948 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000192787035 416311616 /nfs/dbraw/zinc/31/16/16/416311616.db2.gz HZTYJEHAIDEUKR-RISCZKNCSA-N 0 0 306.362 0.911 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000194115518 416322459 /nfs/dbraw/zinc/32/24/59/416322459.db2.gz UMMHWSFYRBTRNV-JTQLQIEISA-N 0 0 304.412 0.375 10 0 DCAERN CCCCOC[C@@H](O)Cn1nc(C(N)=O)c2ccccc2c1=O ZINC000193369346 416315740 /nfs/dbraw/zinc/31/57/40/416315740.db2.gz NGVRTRBDGSACDQ-NSHDSACASA-N 0 0 319.361 0.673 10 0 DCAERN COCc1nc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)no1 ZINC000359258835 416317625 /nfs/dbraw/zinc/31/76/25/416317625.db2.gz HQSQKWNUPLVFFQ-LLVKDONJSA-N 0 0 316.317 0.751 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000193471275 416317768 /nfs/dbraw/zinc/31/77/68/416317768.db2.gz XQNVLXGOMNPIBM-QWHCGFSZSA-N 0 0 320.393 0.242 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000190437476 416279049 /nfs/dbraw/zinc/27/90/49/416279049.db2.gz PURHVPZEKNTQPU-WCQYABFASA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000190819504 416282372 /nfs/dbraw/zinc/28/23/72/416282372.db2.gz DXEPZLBPXMQWTJ-DGCLKSJQSA-N 0 0 318.439 0.589 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000191610369 416286799 /nfs/dbraw/zinc/28/67/99/416286799.db2.gz DEYVGBIVXRDYRT-RYUDHWBXSA-N 0 0 324.468 0.472 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CCO2)cn1 ZINC000191750100 416288369 /nfs/dbraw/zinc/28/83/69/416288369.db2.gz KHCXAYOUDYCPIZ-KGLIPLIRSA-N 0 0 308.382 0.134 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCN(Cc2cocn2)CC1 ZINC000191940502 416293242 /nfs/dbraw/zinc/29/32/42/416293242.db2.gz ORKUNNZFVUJDMG-CYBMUJFWSA-N 0 0 310.398 0.333 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000246989279 416332553 /nfs/dbraw/zinc/33/25/53/416332553.db2.gz HSCZAYPZRHDEDB-HZSPNIEDSA-N 0 0 309.410 0.367 10 0 DCAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000248412485 416333412 /nfs/dbraw/zinc/33/34/12/416333412.db2.gz JOUXINKHWWRXMJ-ABUXHAGHSA-N 0 0 321.421 0.800 10 0 DCAERN COCCN1CCCN([C@@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000249390038 416334296 /nfs/dbraw/zinc/33/42/96/416334296.db2.gz RUOMXFSHGFRIGZ-NVXWUHKLSA-N 0 0 304.390 0.825 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000359779396 416358415 /nfs/dbraw/zinc/35/84/15/416358415.db2.gz WQOAVJTXNGWNKF-ZDUSSCGKSA-N 0 0 306.362 0.560 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[C@H](O)C2(C)C)C1 ZINC000263447873 416338098 /nfs/dbraw/zinc/33/80/98/416338098.db2.gz GISCRGYKTPRTBZ-MCIGGMRASA-N 0 0 313.398 0.479 10 0 DCAERN COCCn1cc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000194297332 416322989 /nfs/dbraw/zinc/32/29/89/416322989.db2.gz BSVYBLMGTSNUPR-GFCCVEGCSA-N 0 0 309.370 0.614 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1CCOC[C@@H]1C ZINC000195421916 416326319 /nfs/dbraw/zinc/32/63/19/416326319.db2.gz FLJSEKVHESKEIQ-RYUDHWBXSA-N 0 0 306.428 0.447 10 0 DCAERN CC(=O)N[C@@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000195673398 416326786 /nfs/dbraw/zinc/32/67/86/416326786.db2.gz AOUMGAFGJJUPHP-GXSJLCMTSA-N 0 0 307.402 0.181 10 0 DCAERN CSc1cnc(N2CCC[C@H](CNS(C)(=O)=O)C2)nc1 ZINC000239653917 416330098 /nfs/dbraw/zinc/33/00/98/416330098.db2.gz BLPBVTFHAGMINI-SNVBAGLBSA-N 0 0 316.452 0.964 10 0 DCAERN C[C@H](c1ccncc1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246463401 416331809 /nfs/dbraw/zinc/33/18/09/416331809.db2.gz OEZFDNPIGZPYFC-TZMCWYRMSA-N 0 0 304.394 0.798 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CN1C1CC1 ZINC000246578603 416332133 /nfs/dbraw/zinc/33/21/33/416332133.db2.gz WQRZTUCOPJDGEJ-WOPDTQHZSA-N 0 0 315.439 0.440 10 0 DCAERN COCCCS(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000360940285 416416830 /nfs/dbraw/zinc/41/68/30/416416830.db2.gz KGQDOXWEFXLZIU-LBPRGKRZSA-N 0 0 314.363 0.106 10 0 DCAERN Cc1cccc(OCCNC(=O)[C@@H](C)N2CC(=O)N(C)C2)c1 ZINC000360486306 416392503 /nfs/dbraw/zinc/39/25/03/416392503.db2.gz DODQCQUJLJVXQI-CYBMUJFWSA-N 0 0 305.378 0.610 10 0 DCAERN CC(=O)N(C)c1ccccc1NS(=O)(=O)N1CCOCC1 ZINC000360628503 416400757 /nfs/dbraw/zinc/40/07/57/416400757.db2.gz HMEFTGQTDNWPOL-UHFFFAOYSA-N 0 0 313.379 0.658 10 0 DCAERN CCSCC[C@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458478001 416474998 /nfs/dbraw/zinc/47/49/98/416474998.db2.gz WJLNDGWZIZJFPH-QWRGUYRKSA-N 0 0 301.416 0.470 10 0 DCAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)c1cnns1 ZINC000583623235 416479804 /nfs/dbraw/zinc/47/98/04/416479804.db2.gz YVTRMBSJFILWGI-UWVGGRQHSA-N 0 0 322.369 0.671 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)Nc1cccc(N2CCOCC2)c1 ZINC000533170904 416479956 /nfs/dbraw/zinc/47/99/56/416479956.db2.gz AIZAWDFGZCTNJF-MRXNPFEDSA-N 0 0 321.377 0.796 10 0 DCAERN CC(=O)Nc1ccn([C@H]2CCN(c3ncnc4n[nH]cc43)C2)n1 ZINC000583623253 416480959 /nfs/dbraw/zinc/48/09/59/416480959.db2.gz VHOHUQQFMSELQM-JTQLQIEISA-N 0 0 312.337 0.959 10 0 DCAERN C[C@@](O)(CNC(=O)NCc1nnc2ccccn21)C(F)(F)F ZINC000361247612 416427637 /nfs/dbraw/zinc/42/76/37/416427637.db2.gz YDLMFFMAHLKEKQ-LLVKDONJSA-N 0 0 317.271 0.842 10 0 DCAERN O=C(Nc1cccc2c1CCO2)C(=O)N1CC(n2ccnn2)C1 ZINC000361936069 416525805 /nfs/dbraw/zinc/52/58/05/416525805.db2.gz JISVTZOFZPGUQA-UHFFFAOYSA-N 0 0 313.317 0.235 10 0 DCAERN CNC(=O)NC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361987661 416539586 /nfs/dbraw/zinc/53/95/86/416539586.db2.gz UDSSDUJWCNCCLL-ZDUSSCGKSA-N 0 0 307.350 0.222 10 0 DCAERN NS(=O)(=O)c1cnc(NC[C@@H](CO)c2ccccc2)s1 ZINC000487699565 416557129 /nfs/dbraw/zinc/55/71/29/416557129.db2.gz WHBSRKICQLQKKJ-JTQLQIEISA-N 0 0 313.404 0.979 10 0 DCAERN CO[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000361779185 416494708 /nfs/dbraw/zinc/49/47/08/416494708.db2.gz JPXBJTPDJHVSRJ-STQMWFEESA-N 0 0 311.382 0.197 10 0 DCAERN C[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1cncc(F)c1 ZINC000584060069 416496921 /nfs/dbraw/zinc/49/69/21/416496921.db2.gz GVPDYSCSULOGMA-ZETCQYMHSA-N 0 0 305.317 0.545 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@H](O)C3)sc2C1 ZINC000434912270 416505375 /nfs/dbraw/zinc/50/53/75/416505375.db2.gz JLSGAVJDHYNSOC-RKDXNWHRSA-N 0 0 309.391 0.800 10 0 DCAERN CNC(=O)[C@H](Nc1ccc(C(=O)NC2CCCC2)nn1)C(C)C ZINC000434959432 416506378 /nfs/dbraw/zinc/50/63/78/416506378.db2.gz LOPHNLKLXBDOLH-CQSZACIVSA-N 0 0 319.409 1.332 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1cccc2c1OCCO2 ZINC000534781241 416508317 /nfs/dbraw/zinc/50/83/17/416508317.db2.gz JBOCBFGFRDHUQD-UHFFFAOYSA-N 0 0 304.310 0.645 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000435176071 416511074 /nfs/dbraw/zinc/51/10/74/416511074.db2.gz FCNGZJGVELYROP-KOLCDFICSA-N 0 0 309.370 0.698 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000435169386 416511275 /nfs/dbraw/zinc/51/12/75/416511275.db2.gz VHBRVMJXHBQNFI-LLVKDONJSA-N 0 0 323.397 0.648 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000584271887 416511570 /nfs/dbraw/zinc/51/15/70/416511570.db2.gz FWQOUCDPSAFDJF-UHFFFAOYSA-N 0 0 300.318 0.874 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)c(C)c1 ZINC000436821587 416572097 /nfs/dbraw/zinc/57/20/97/416572097.db2.gz LSSYMGMKYMKNDN-WDEREUQCSA-N 0 0 322.361 0.887 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000436822829 416572778 /nfs/dbraw/zinc/57/27/78/416572778.db2.gz QXRAEGFPUQPGTQ-UHFFFAOYSA-N 0 0 322.361 0.807 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000546817375 416678679 /nfs/dbraw/zinc/67/86/79/416678679.db2.gz BLAIQKPPVPIPOT-NSHDSACASA-N 0 0 316.365 1.252 10 0 DCAERN O=C(C1=COCCC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366080874 416616684 /nfs/dbraw/zinc/61/66/84/416616684.db2.gz BSMYOTFLPHVOLS-CYBMUJFWSA-N 0 0 314.407 0.707 10 0 DCAERN Nc1ncncc1CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439954997 416624453 /nfs/dbraw/zinc/62/44/53/416624453.db2.gz XTAIDMHKNYBNNO-UHFFFAOYSA-N 0 0 312.333 1.117 10 0 DCAERN CC1(C)CN(C(=O)CCc2nnc[nH]2)C[C@@]2(CCCOC2)O1 ZINC000366432986 416626733 /nfs/dbraw/zinc/62/67/33/416626733.db2.gz RHGVQUWSGPNTHB-OAHLLOKOSA-N 0 0 308.382 0.924 10 0 DCAERN Cc1ccc(F)cc1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000542674461 416628373 /nfs/dbraw/zinc/62/83/73/416628373.db2.gz WYILDAZMAVAOSD-CYBMUJFWSA-N 0 0 306.337 0.860 10 0 DCAERN COC(=O)C1(CNC(=O)c2cn3cccnc3n2)CCOCC1 ZINC000543830980 416650372 /nfs/dbraw/zinc/65/03/72/416650372.db2.gz BWGFNTJZXDTGKZ-UHFFFAOYSA-N 0 0 318.333 0.429 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)Nc2ncn(C(C)(C)C)n2)c1C ZINC000544108947 416652164 /nfs/dbraw/zinc/65/21/64/416652164.db2.gz HHTVLQCQEQZEOU-UHFFFAOYSA-N 0 0 304.354 0.996 10 0 DCAERN CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257098 416653598 /nfs/dbraw/zinc/65/35/98/416653598.db2.gz IUHPSLWGBRRJOK-OLZOCXBDSA-N 0 0 302.440 0.944 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCN2CCOC[C@@H]2C1 ZINC000544650353 416659277 /nfs/dbraw/zinc/65/92/77/416659277.db2.gz KVVUMTFFMPWQHB-KGLIPLIRSA-N 0 0 309.410 0.814 10 0 DCAERN COc1cccc(CCNC(=O)NCCN2CCOC[C@@H]2C)n1 ZINC000441231526 416665928 /nfs/dbraw/zinc/66/59/28/416665928.db2.gz KQFSZDWTHOXNRS-ZDUSSCGKSA-N 0 0 322.409 0.653 10 0 DCAERN COc1cccc(CCNC(=O)NCCC(=O)NC(C)C)n1 ZINC000441241244 416666292 /nfs/dbraw/zinc/66/62/92/416666292.db2.gz SENABTICLUPVML-UHFFFAOYSA-N 0 0 308.382 0.847 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCc3c[nH]nc3C)CC2)n1 ZINC000545233030 416667280 /nfs/dbraw/zinc/66/72/80/416667280.db2.gz HDCCKSJIDUDZBN-UHFFFAOYSA-N 0 0 319.369 0.437 10 0 DCAERN CC(C)OC[C@@H]1CN(C[C@@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000545324093 416672652 /nfs/dbraw/zinc/67/26/52/416672652.db2.gz FZOCJQZVPQPYHM-PMPSAXMXSA-N 0 0 317.426 0.669 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2nnnn2C)[C@@]12CCCO2 ZINC000545356276 416673918 /nfs/dbraw/zinc/67/39/18/416673918.db2.gz SBLGIIBJNVIKJM-GYSYKLTISA-N 0 0 324.385 0.078 10 0 DCAERN CC(C)(C)OC(=O)NC1(C(=O)N2CC(n3ccnn3)C2)CC1 ZINC000368599951 416674165 /nfs/dbraw/zinc/67/41/65/416674165.db2.gz ACWDFGFSJWVGAC-UHFFFAOYSA-N 0 0 307.354 0.719 10 0 DCAERN COC(=O)c1cc(NC(=O)C(=O)N2CCC23CCC3)cn1C ZINC000441523856 416675309 /nfs/dbraw/zinc/67/53/09/416675309.db2.gz UVODTNNPHYDXGZ-UHFFFAOYSA-N 0 0 305.334 0.905 10 0 DCAERN CC[C@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1ccncc1 ZINC000557623672 416743085 /nfs/dbraw/zinc/74/30/85/416743085.db2.gz CWJUEBQKLXIBQK-JTQLQIEISA-N 0 0 301.354 0.796 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000368707533 416686292 /nfs/dbraw/zinc/68/62/92/416686292.db2.gz RDAJGNKZWRQJPP-SNVBAGLBSA-N 0 0 303.409 0.157 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N[C@H](CO)CN1CCOCC1 ZINC000425295847 416689894 /nfs/dbraw/zinc/68/98/94/416689894.db2.gz QLNNRNXYHCFIQW-ZDUSSCGKSA-N 0 0 300.399 0.191 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000368801049 416693650 /nfs/dbraw/zinc/69/36/50/416693650.db2.gz VJWSUBYFZVTUIP-GFCCVEGCSA-N 0 0 300.355 0.695 10 0 DCAERN Cc1cc(NC(=O)C(=O)N(C)CCCO)ccc1C(=O)N(C)C ZINC000443353225 416755544 /nfs/dbraw/zinc/75/55/44/416755544.db2.gz RBIVLFNSCQMHRH-UHFFFAOYSA-N 0 0 321.377 0.476 10 0 DCAERN C[C@](O)(CC(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000369387378 416763410 /nfs/dbraw/zinc/76/34/10/416763410.db2.gz BWBIWCCSEMMVCP-WBVHZDCISA-N 0 0 304.390 0.827 10 0 DCAERN Cc1occc1C(=O)NC1CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000517271642 416795461 /nfs/dbraw/zinc/79/54/61/416795461.db2.gz AOZMBIPWWHWNFE-LBPRGKRZSA-N 0 0 305.334 0.197 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccccn1 ZINC000623363975 416811546 /nfs/dbraw/zinc/81/15/46/416811546.db2.gz NPYFGFXGNHVZNQ-UHFFFAOYSA-N 0 0 320.393 0.507 10 0 DCAERN COCc1noc(CN2CCN([C@H](C(=O)OC)C3CC3)CC2)n1 ZINC000444735859 416866357 /nfs/dbraw/zinc/86/63/57/416866357.db2.gz OFVPXKPBXAAUMJ-AWEZNQCLSA-N 0 0 324.381 0.285 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)sc1C ZINC000623683833 416867187 /nfs/dbraw/zinc/86/71/87/416867187.db2.gz KTWSOTNHECNQQO-XVKPBYJWSA-N 0 0 312.395 0.544 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC000369897398 416843547 /nfs/dbraw/zinc/84/35/47/416843547.db2.gz IJTMSZMZNHZJIU-ZDUSSCGKSA-N 0 0 321.352 0.616 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N3CCC[C@@]3(C)C2=O)c1 ZINC000445943735 416907447 /nfs/dbraw/zinc/90/74/47/416907447.db2.gz KFHYINIZLXTOTK-AWEZNQCLSA-N 0 0 323.374 0.916 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)[C@H](C)C1 ZINC000632106610 416908246 /nfs/dbraw/zinc/90/82/46/416908246.db2.gz KKRNAJUTPPQNEZ-KOLCDFICSA-N 0 0 310.366 0.914 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ncns3)CC2)C1 ZINC000615810127 416916478 /nfs/dbraw/zinc/91/64/78/416916478.db2.gz MMILXFXETDPSIJ-LBPRGKRZSA-N 0 0 323.422 0.445 10 0 DCAERN Cn1cc([C@@H](NC(=O)N[C@H]2CNC(=O)C2)C(F)(F)F)cn1 ZINC000446473852 416931148 /nfs/dbraw/zinc/93/11/48/416931148.db2.gz OSOJJSUFKQREGI-VXNVDRBHSA-N 0 0 305.260 0.211 10 0 DCAERN CN(C(=O)C(=O)Nc1ncn(C(C)(C)C)n1)[C@H]1CCSC1 ZINC000446825546 416950688 /nfs/dbraw/zinc/95/06/88/416950688.db2.gz CMUNOJNGPLMMRD-VIFPVBQESA-N 0 0 311.411 0.936 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2ccnn2C)n1 ZINC000446820434 416950979 /nfs/dbraw/zinc/95/09/79/416950979.db2.gz CKGOKMCXAZGOQH-UHFFFAOYSA-N 0 0 303.322 0.121 10 0 DCAERN Cn1ccnc(N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1=O ZINC000376480047 417029818 /nfs/dbraw/zinc/02/98/18/417029818.db2.gz ZZHUDCFLINERIT-CQSZACIVSA-N 0 0 312.373 1.036 10 0 DCAERN CC(=O)[C@H](C)CN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000447350723 416993810 /nfs/dbraw/zinc/99/38/10/416993810.db2.gz UJGBPCQYEOEOPV-ABKXIKBNSA-N 0 0 317.345 0.778 10 0 DCAERN COCc1cncc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1 ZINC000616705272 417099685 /nfs/dbraw/zinc/09/96/85/417099685.db2.gz CELAZNCPCOFVMP-GFCCVEGCSA-N 0 0 324.333 0.453 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000447900608 417037397 /nfs/dbraw/zinc/03/73/97/417037397.db2.gz DAIZLWJYYMJBHJ-INIZCTEOSA-N 0 0 316.313 0.967 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H](C(N)=O)O1 ZINC000378159335 417075583 /nfs/dbraw/zinc/07/55/83/417075583.db2.gz DDXZPPOZGVLEJO-KVSVUVNWSA-N 0 0 311.382 0.228 10 0 DCAERN Nc1cc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616604786 417084570 /nfs/dbraw/zinc/08/45/70/417084570.db2.gz NNMSECWJYJUFMF-LBPRGKRZSA-N 0 0 307.379 0.327 10 0 DCAERN Cc1nc(NC[C@H](C)S(N)(=O)=O)ccc1Br ZINC000381450490 417084893 /nfs/dbraw/zinc/08/48/93/417084893.db2.gz GUHUWJUTYOLTTG-LURJTMIESA-N 0 0 308.201 1.241 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1COCCCN1S(C)(=O)=O ZINC000616648302 417087432 /nfs/dbraw/zinc/08/74/32/417087432.db2.gz LLIIETIGYHNHIV-JTQLQIEISA-N 0 0 308.400 0.562 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1S(C)(=O)=O ZINC000616646497 417087968 /nfs/dbraw/zinc/08/79/68/417087968.db2.gz XKRMADQXEWOZTB-LLVKDONJSA-N 0 0 322.427 0.604 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1ccc2nnccc2c1 ZINC000616658576 417091492 /nfs/dbraw/zinc/09/14/92/417091492.db2.gz IZDORCYTXRHCEJ-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1ccc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)cn1 ZINC000616689411 417093342 /nfs/dbraw/zinc/09/33/42/417093342.db2.gz FWRQUCAMKDWLEH-CQSZACIVSA-N 0 0 304.375 0.815 10 0 DCAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnc2ccccc2n1 ZINC000616768135 417107969 /nfs/dbraw/zinc/10/79/69/417107969.db2.gz ZXOUIUITGLYYIN-NWANDNLSSA-N 0 0 309.329 0.931 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC000404203280 417118825 /nfs/dbraw/zinc/11/88/25/417118825.db2.gz OISKVMZONPKSFI-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN O=C(CNC(=O)c1nscc1Br)NC1CC1 ZINC000404786053 417120958 /nfs/dbraw/zinc/12/09/58/417120958.db2.gz AJFYQOZLMFUIQZ-UHFFFAOYSA-N 0 0 304.169 0.914 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1nscc1Br ZINC000404816561 417121392 /nfs/dbraw/zinc/12/13/92/417121392.db2.gz KNFIRPYCYVGTCV-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN COC[C@](C)(CO)NC(=O)Nc1cccc(CC(=O)OC)n1 ZINC000616851955 417122490 /nfs/dbraw/zinc/12/24/90/417122490.db2.gz XILSYXFOAFYPRZ-AWEZNQCLSA-N 0 0 311.338 0.316 10 0 DCAERN COC[C@@](C)(CO)NC(=O)Nc1cccc(CC(=O)OC)n1 ZINC000616851956 417123081 /nfs/dbraw/zinc/12/30/81/417123081.db2.gz XILSYXFOAFYPRZ-CQSZACIVSA-N 0 0 311.338 0.316 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021892 417134509 /nfs/dbraw/zinc/13/45/09/417134509.db2.gz JYPQPLROTZNFPO-VHDGCEQUSA-N 0 0 319.409 0.382 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC(=O)N1C ZINC000407969443 417130121 /nfs/dbraw/zinc/13/01/21/417130121.db2.gz XAMTVMSJLYVKDM-SSDOTTSWSA-N 0 0 317.271 1.190 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408113192 417139944 /nfs/dbraw/zinc/13/99/44/417139944.db2.gz QUNVUVKAMYIZBL-AGIUHOORSA-N 0 0 307.394 0.324 10 0 DCAERN CC[C@@]1(C)COCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408084531 417140931 /nfs/dbraw/zinc/14/09/31/417140931.db2.gz RAVNYPGXBKMTSQ-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408094077 417141185 /nfs/dbraw/zinc/14/11/85/417141185.db2.gz FBFUWFHWYDNOQG-MEBFFEOJSA-N 0 0 311.378 0.574 10 0 DCAERN CC[C@H](C)CS(=O)(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000431757494 417141365 /nfs/dbraw/zinc/14/13/65/417141365.db2.gz WUJJUMDNFVJPMI-JMJZKYOTSA-N 0 0 303.384 0.862 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408080012 417141468 /nfs/dbraw/zinc/14/14/68/417141468.db2.gz ASORPLSUSJLQBY-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1CS(N)(=O)=O ZINC000408424947 417161964 /nfs/dbraw/zinc/16/19/64/417161964.db2.gz YRFHYYPLXLEWJN-UPJWGTAASA-N 0 0 317.455 0.529 10 0 DCAERN Cc1c(C(=O)N2CCC(=O)[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000408160217 417145706 /nfs/dbraw/zinc/14/57/06/417145706.db2.gz URMOXDIQELPKHR-VIFPVBQESA-N 0 0 310.375 0.694 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408203539 417146004 /nfs/dbraw/zinc/14/60/04/417146004.db2.gz DCXNAGCAJOJFTF-ZJUUUORDSA-N 0 0 317.411 0.983 10 0 DCAERN O=C(COc1ccc(Br)cc1)N[C@H]1CCNC1=O ZINC000616971858 417146899 /nfs/dbraw/zinc/14/68/99/417146899.db2.gz WTLLLECNXQDIGG-JTQLQIEISA-N 0 0 313.151 0.833 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000408260723 417150633 /nfs/dbraw/zinc/15/06/33/417150633.db2.gz XGPYXWDXHWZAMA-VHSXEESVSA-N 0 0 312.395 0.109 10 0 DCAERN CC(C)(C)n1ccc(NC(=O)C(=O)N2CCOC(C)(C)C2)n1 ZINC000408263118 417151206 /nfs/dbraw/zinc/15/12/06/417151206.db2.gz BJRNMJKSWXTNCU-UHFFFAOYSA-N 0 0 308.382 1.214 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000408272770 417151330 /nfs/dbraw/zinc/15/13/30/417151330.db2.gz IXHHXTDSUGLRHT-RDBSUJKOSA-N 0 0 311.426 0.517 10 0 DCAERN CC(C)N(C[C@H](C)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408263554 417151358 /nfs/dbraw/zinc/15/13/58/417151358.db2.gz WZBMOTQBSJTDLS-RYUDHWBXSA-N 0 0 321.443 0.211 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1OC ZINC000408360229 417156566 /nfs/dbraw/zinc/15/65/66/417156566.db2.gz SESLIGHHJLRGQW-TUVASFSCSA-N 0 0 312.410 0.502 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC000525871947 417158081 /nfs/dbraw/zinc/15/80/81/417158081.db2.gz SIHFTJWRGBJGGO-LBPRGKRZSA-N 0 0 301.350 0.716 10 0 DCAERN C[C@@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCC[C@H]1O ZINC000408392310 417158510 /nfs/dbraw/zinc/15/85/10/417158510.db2.gz BHDQRISFLDZFID-YPMHNXCESA-N 0 0 304.412 0.368 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@@H]3C)CC2)[nH]1 ZINC000526004393 417173582 /nfs/dbraw/zinc/17/35/82/417173582.db2.gz NEAXWIPKJJUQPA-YPMHNXCESA-N 0 0 319.409 0.763 10 0 DCAERN C[C@@H](CNc1nc2c(cnn2C)c(=O)[nH]1)N1CCCCC1=O ZINC000526074706 417180438 /nfs/dbraw/zinc/18/04/38/417180438.db2.gz MJJQJHWXSXCHGL-VIFPVBQESA-N 0 0 304.354 0.882 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)C1COC1 ZINC000617241060 417184126 /nfs/dbraw/zinc/18/41/26/417184126.db2.gz IUMQFCGRTOLTSF-NEPJUHHUSA-N 0 0 305.396 0.817 10 0 DCAERN CCOc1nc2cc(C(=O)N(C)Cc3nnnn3C)ccc2[nH]1 ZINC000450106416 417200971 /nfs/dbraw/zinc/20/09/71/417200971.db2.gz SUDVLBRSWQVWDW-UHFFFAOYSA-N 0 0 315.337 0.757 10 0 DCAERN CC[C@@]1(O)CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000632666991 417220924 /nfs/dbraw/zinc/22/09/24/417220924.db2.gz JAXAWGSTBLVJJU-LLVKDONJSA-N 0 0 307.803 0.999 10 0 DCAERN c1cnc(-c2ccnc(NCCCO[C@H]3CCOC3)n2)cn1 ZINC000450383270 417223087 /nfs/dbraw/zinc/22/30/87/417223087.db2.gz ZNKIQPWTCOPIBD-LBPRGKRZSA-N 0 0 301.350 1.541 10 0 DCAERN C[C@@H](O)CCN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581307 417238387 /nfs/dbraw/zinc/23/83/87/417238387.db2.gz DXBCICWFFKFBNP-OLZOCXBDSA-N 0 0 318.373 0.754 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cncc(OCC)n2)CC12COC2 ZINC000450574199 417240346 /nfs/dbraw/zinc/24/03/46/417240346.db2.gz ZCOCGYPFEGNRAE-NSHDSACASA-N 0 0 307.350 0.891 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N[C@H](C)C(C)C)CC12COC2 ZINC000451125057 417301575 /nfs/dbraw/zinc/30/15/75/417301575.db2.gz KDFBPHNNHKVMDR-OLZOCXBDSA-N 0 0 312.410 0.659 10 0 DCAERN CC(=O)CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(C)C ZINC000633225274 417393223 /nfs/dbraw/zinc/39/32/23/417393223.db2.gz SYQXKKHBUSUSAH-UHFFFAOYSA-N 0 0 317.345 0.928 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451889350 417411119 /nfs/dbraw/zinc/41/11/19/417411119.db2.gz MCEZPJYLLCLXGG-RWMBFGLXSA-N 0 0 305.444 0.102 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1CCNC2=O ZINC000633436190 417428424 /nfs/dbraw/zinc/42/84/24/417428424.db2.gz CHKLLJVCAKSPEN-AWEZNQCLSA-N 0 0 301.346 0.922 10 0 DCAERN CCOc1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)on1 ZINC000622329415 417429009 /nfs/dbraw/zinc/42/90/09/417429009.db2.gz LHMTXYQHOTVPKO-SNVBAGLBSA-N 0 0 308.338 0.703 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N2CCSCC2)CC12COC2 ZINC000451618183 417366884 /nfs/dbraw/zinc/36/68/84/417366884.db2.gz DINLSNBRASFPKO-NSHDSACASA-N 0 0 314.407 0.667 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(CC(N)=O)cc1 ZINC000633128524 417374652 /nfs/dbraw/zinc/37/46/52/417374652.db2.gz SXOWLPBUGVJQNM-CQSZACIVSA-N 0 0 303.362 0.342 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CC(=O)N1CCC1 ZINC000451668244 417378724 /nfs/dbraw/zinc/37/87/24/417378724.db2.gz CYOQMBWECRPGBC-UHFFFAOYSA-N 0 0 303.362 0.536 10 0 DCAERN CCN(C)C(=O)[C@@H](NC(=O)c1cccc2ncnn21)C(C)C ZINC000452544908 417488681 /nfs/dbraw/zinc/48/86/81/417488681.db2.gz PINITIQDWTZBST-ZDUSSCGKSA-N 0 0 303.366 0.962 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CCC[C@H](n2cncn2)C1 ZINC000574924168 417494080 /nfs/dbraw/zinc/49/40/80/417494080.db2.gz BPERMAXHHFELJD-HNNXBMFYSA-N 0 0 321.425 0.944 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c[nH]cc(C)c2=O)CC12COC2 ZINC000452253125 417462595 /nfs/dbraw/zinc/46/25/95/417462595.db2.gz DRWWIRQAWSDSCD-GFCCVEGCSA-N 0 0 320.345 0.335 10 0 DCAERN Cn1cc(OCC(=O)NC[C@H](O)Cc2cccc(F)c2)cn1 ZINC000452246338 417463077 /nfs/dbraw/zinc/46/30/77/417463077.db2.gz NMEQBGUCJUXQQS-CYBMUJFWSA-N 0 0 307.325 0.658 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cncnc2C)CC12COC2 ZINC000452268290 417464986 /nfs/dbraw/zinc/46/49/86/417464986.db2.gz WOPJXGQWQCTTQG-GFCCVEGCSA-N 0 0 305.334 0.437 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc2ccccn2n1 ZINC000574263779 417481156 /nfs/dbraw/zinc/48/11/56/417481156.db2.gz GNWBVSFTXMILRP-INIZCTEOSA-N 0 0 312.329 0.886 10 0 DCAERN CC[C@H](C)[C@@H](CNC(=O)[C@](C)(O)Cn1ccccc1=O)OC ZINC000452429416 417483947 /nfs/dbraw/zinc/48/39/47/417483947.db2.gz WLZMIZAZZDGRTH-WOSRLPQWSA-N 0 0 310.394 0.777 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCCCO)c1 ZINC000452500872 417486351 /nfs/dbraw/zinc/48/63/51/417486351.db2.gz BKEAHNCSPRJDBV-NSHDSACASA-N 0 0 314.407 0.876 10 0 DCAERN COCC(COC)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000453924298 417537869 /nfs/dbraw/zinc/53/78/69/417537869.db2.gz BFZNSTBBBHSWJF-UHFFFAOYSA-N 0 0 322.361 0.728 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](C)COC)CC12COC2 ZINC000454461681 417562809 /nfs/dbraw/zinc/56/28/09/417562809.db2.gz SEEHVXKXPZSWHW-NWDGAFQWSA-N 0 0 314.382 0.490 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCOC(C)C)CC12COC2 ZINC000454780825 417579312 /nfs/dbraw/zinc/57/93/12/417579312.db2.gz CCAARGDIJSHIBO-LBPRGKRZSA-N 0 0 314.382 0.633 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC2CC1(C)C2 ZINC000628172637 417580851 /nfs/dbraw/zinc/58/08/51/417580851.db2.gz PJAZEELQHWMROY-UHFFFAOYSA-N 0 0 309.410 0.807 10 0 DCAERN CC(=O)N1CCC[C@@H](CNc2ccnc(N3CCOCC3)n2)C1 ZINC000530537998 417583709 /nfs/dbraw/zinc/58/37/09/417583709.db2.gz WBAYGSRLGVYVSD-AWEZNQCLSA-N 0 0 319.409 0.984 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)NCCc1ncccc1C)N(C)C2 ZINC000644479727 417593368 /nfs/dbraw/zinc/59/33/68/417593368.db2.gz NLQJELSJHNUUPP-AWEZNQCLSA-N 0 0 314.393 0.463 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCN(CCO)C[C@@H]2C)nc1 ZINC000455111384 417594108 /nfs/dbraw/zinc/59/41/08/417594108.db2.gz RWQVDRDJZOBTHV-NSHDSACASA-N 0 0 306.366 0.815 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCO[C@H](CO)C1)CC2 ZINC000530288613 417563238 /nfs/dbraw/zinc/56/32/38/417563238.db2.gz SPYOKNRWTBNULI-RYUDHWBXSA-N 0 0 307.394 0.858 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H](C)[C@H](C)OC ZINC000576039354 417573578 /nfs/dbraw/zinc/57/35/78/417573578.db2.gz UNUQZQUPMWVFTN-YVECIDJPSA-N 0 0 304.387 0.530 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000530433370 417574799 /nfs/dbraw/zinc/57/47/99/417574799.db2.gz TXNYVQWCXPQWDB-YPMHNXCESA-N 0 0 303.428 0.564 10 0 DCAERN COC(=O)CN(C[C@@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000531888872 417648249 /nfs/dbraw/zinc/64/82/49/417648249.db2.gz CXMHWYQJDHJAAO-CABCVRRESA-N 0 0 315.410 0.961 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000456461618 417651306 /nfs/dbraw/zinc/65/13/06/417651306.db2.gz SQLAPBKUPGQTFA-WOSRLPQWSA-N 0 0 308.378 0.267 10 0 DCAERN COC(=O)c1cc(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)c[nH]1 ZINC000457264545 417701191 /nfs/dbraw/zinc/70/11/91/417701191.db2.gz HSYRMBKJGHHANX-MNOVXSKESA-N 0 0 305.334 0.685 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000532070300 417655497 /nfs/dbraw/zinc/65/54/97/417655497.db2.gz PBRBBHLBBLAETB-UHFFFAOYSA-N 0 0 317.353 0.703 10 0 DCAERN C[C@H]1c2nncn2CCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000577063854 417659435 /nfs/dbraw/zinc/65/94/35/417659435.db2.gz KWTRZEDDPNJBFH-VIFPVBQESA-N 0 0 304.358 1.233 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000532268050 417668751 /nfs/dbraw/zinc/66/87/51/417668751.db2.gz PYBJWSVQTVWRIB-BYNSBNAKSA-N 0 0 317.451 0.749 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ccccc1CO ZINC000532282598 417669812 /nfs/dbraw/zinc/66/98/12/417669812.db2.gz WMTONGZKPBWTRL-UHFFFAOYSA-N 0 0 316.361 0.784 10 0 DCAERN O=C(N[C@@H]1CCOC[C@H]1O)c1nscc1Br ZINC000629239620 417766609 /nfs/dbraw/zinc/76/66/09/417766609.db2.gz OVPDBLHWGNULLJ-RNFRBKRXSA-N 0 0 307.169 0.785 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458130242 417722833 /nfs/dbraw/zinc/72/28/33/417722833.db2.gz PYYGOSMWUUKQRN-GFCCVEGCSA-N 0 0 306.391 0.856 10 0 DCAERN Cc1cccc(OCCCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458121076 417723827 /nfs/dbraw/zinc/72/38/27/417723827.db2.gz FSSSUIPNRSPNBW-CQSZACIVSA-N 0 0 318.377 0.923 10 0 DCAERN O=C(CCCOc1ccccc1F)NC[C@H](O)Cn1ccnn1 ZINC000458146443 417725312 /nfs/dbraw/zinc/72/53/12/417725312.db2.gz RNHXZNBYOPWHKG-LBPRGKRZSA-N 0 0 322.340 0.754 10 0 DCAERN Cc1cccc(C)c1OCCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458152802 417725549 /nfs/dbraw/zinc/72/55/49/417725549.db2.gz XTTDUMNAXWNPMP-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN O=C(CCCOc1ccccc1F)NC[C@@H](O)Cn1ccnn1 ZINC000458146442 417726090 /nfs/dbraw/zinc/72/60/90/417726090.db2.gz RNHXZNBYOPWHKG-GFCCVEGCSA-N 0 0 322.340 0.754 10 0 DCAERN COCc1nc(CN[C@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000651920559 417818606 /nfs/dbraw/zinc/81/86/06/417818606.db2.gz WDWJFUWANRHCFG-VIFPVBQESA-N 0 0 305.425 0.413 10 0 DCAERN c1cn(C[C@@H]2CN(c3ncnc4c3CCCC4)CCO2)nn1 ZINC000631376820 417865889 /nfs/dbraw/zinc/86/58/89/417865889.db2.gz FKYTVSDVWMPCBC-LBPRGKRZSA-N 0 0 300.366 0.852 10 0 DCAERN CC(=O)c1ccc(NC(=O)N[C@@H](CO)CN2CCOCC2)cc1 ZINC000631473356 417887636 /nfs/dbraw/zinc/88/76/36/417887636.db2.gz XDTCSEDWCPEXKY-OAHLLOKOSA-N 0 0 321.377 0.704 10 0 DCAERN CN1C[C@H](CNc2cnn(C)c(=O)c2Br)CC1=O ZINC000664463674 418127109 /nfs/dbraw/zinc/12/71/09/418127109.db2.gz WVPBUBITZJFJDZ-ZETCQYMHSA-N 0 0 315.171 0.433 10 0 DCAERN C/C=C/C[C@@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)OCC ZINC000450918946 287453939 /nfs/dbraw/zinc/45/39/39/287453939.db2.gz XBLAYSRBYRTBBM-DUMNWFOQSA-N 0 0 308.338 0.495 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ncoc1CC ZINC000488149944 287546728 /nfs/dbraw/zinc/54/67/28/287546728.db2.gz MLNNXOQCYKMZFH-RKDXNWHRSA-N 0 0 311.338 0.423 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000488248238 287547543 /nfs/dbraw/zinc/54/75/43/287547543.db2.gz HNTPZLJYFBVROH-ZJUUUORDSA-N 0 0 310.394 0.995 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccnc(C)c1 ZINC000488572009 287553803 /nfs/dbraw/zinc/55/38/03/287553803.db2.gz HYSAQJNRTSCNDZ-GHMZBOCLSA-N 0 0 322.365 0.390 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NC(=O)NCc1ccco1 ZINC000299332939 229056524 /nfs/dbraw/zinc/05/65/24/229056524.db2.gz LWBZFTKXKOWXDJ-UHFFFAOYSA-N 0 0 306.366 0.385 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000299739128 229372748 /nfs/dbraw/zinc/37/27/48/229372748.db2.gz KWESRHSRSSPEQI-RYUDHWBXSA-N 0 0 321.381 0.500 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000301976479 230016888 /nfs/dbraw/zinc/01/68/88/230016888.db2.gz MLFBJUGMYSVQQJ-CQSZACIVSA-N 0 0 314.393 0.882 10 0 DCAERN O=S1(=O)CCN(CCCNc2nnc(C3CC3)s2)CC1 ZINC000302041068 230055220 /nfs/dbraw/zinc/05/52/20/230055220.db2.gz WKWMRKPYXSVNMT-UHFFFAOYSA-N 0 0 316.452 0.948 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCOC1 ZINC000179363215 261112615 /nfs/dbraw/zinc/11/26/15/261112615.db2.gz LBULTXHWQGFKDV-DGCLKSJQSA-N 0 0 316.361 0.873 10 0 DCAERN CN(C)c1ncc(NC(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000179282324 261112802 /nfs/dbraw/zinc/11/28/02/261112802.db2.gz DXQPHDDDMVSFIT-UHFFFAOYSA-N 0 0 310.321 0.771 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cccc(-n3ccnn3)c2)c1 ZINC000186630827 261121655 /nfs/dbraw/zinc/12/16/55/261121655.db2.gz ORVXYQWBJNEFGV-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN NC(=O)c1coc(CNC(=O)CN2CCCCCCC2=O)c1 ZINC000187840784 261125053 /nfs/dbraw/zinc/12/50/53/261125053.db2.gz NNJZTEZRBFTHQJ-UHFFFAOYSA-N 0 0 307.350 0.787 10 0 DCAERN COC(=O)[C@]1(C)CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000188207638 261125871 /nfs/dbraw/zinc/12/58/71/261125871.db2.gz ALYYLQFGHSJJFI-YPMHNXCESA-N 0 0 304.412 0.991 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000188442162 261127882 /nfs/dbraw/zinc/12/78/82/261127882.db2.gz DYIVLUGWLZEMFV-NSHDSACASA-N 0 0 314.345 0.086 10 0 DCAERN COC(=O)[C@](C)(CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000188549938 261128882 /nfs/dbraw/zinc/12/88/82/261128882.db2.gz FJTAPDZQTTVQEU-MEDUHNTESA-N 0 0 304.346 0.370 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@@H](CO)O1 ZINC000188615894 261129324 /nfs/dbraw/zinc/12/93/24/261129324.db2.gz GAGKTYQPGDCTQA-AAEUAGOBSA-N 0 0 308.382 0.439 10 0 DCAERN Cc1nc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)c(=O)[nH]c1C ZINC000188999762 261130416 /nfs/dbraw/zinc/13/04/16/261130416.db2.gz QJXVSGKKBXRZTG-NSHDSACASA-N 0 0 306.366 0.373 10 0 DCAERN COc1cc(S(=O)(=O)NCCCn2ccnn2)ccc1F ZINC000190857220 261135695 /nfs/dbraw/zinc/13/56/95/261135695.db2.gz ASVLOKCGBRZCBM-UHFFFAOYSA-N 0 0 314.342 0.794 10 0 DCAERN C[C@H](C(=O)Nc1cn(Cc2ccccc2)nn1)S(C)(=O)=O ZINC000191279969 261136546 /nfs/dbraw/zinc/13/65/46/261136546.db2.gz IWSXGLDEPVOPBK-SNVBAGLBSA-N 0 0 308.363 0.698 10 0 DCAERN CC(=O)NC1CN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1 ZINC000191502305 261137371 /nfs/dbraw/zinc/13/73/71/261137371.db2.gz COBHNYNKFXETMK-UHFFFAOYSA-N 0 0 317.389 0.391 10 0 DCAERN Cc1cccc(CNC(=O)NCC(=O)NCC(F)(F)F)n1 ZINC000193445909 261142329 /nfs/dbraw/zinc/14/23/29/261142329.db2.gz HGBMPNXLUZWUND-UHFFFAOYSA-N 0 0 304.272 0.868 10 0 DCAERN COc1cccc([C@H](C)C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000193498120 261142465 /nfs/dbraw/zinc/14/24/65/261142465.db2.gz YYQUSHFGMKTIKL-ZFWWWQNUSA-N 0 0 322.405 0.608 10 0 DCAERN Cc1cc(COCC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)on1 ZINC000193639796 261143257 /nfs/dbraw/zinc/14/32/57/261143257.db2.gz DPKMFIRMWHAMSU-MNOVXSKESA-N 0 0 318.395 0.780 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000194609845 261146380 /nfs/dbraw/zinc/14/63/80/261146380.db2.gz XVDOUBGZKFNICE-YPMHNXCESA-N 0 0 306.366 0.268 10 0 DCAERN CCn1c(N)c(C(=O)CN[C@H](C)c2ccc(C)o2)c(=O)[nH]c1=O ZINC000194413629 261146594 /nfs/dbraw/zinc/14/65/94/261146594.db2.gz JQXZWLNNAWTFPE-SECBINFHSA-N 0 0 320.349 0.574 10 0 DCAERN Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CNC(=O)C1 ZINC000194869924 261149566 /nfs/dbraw/zinc/14/95/66/261149566.db2.gz HYHSNUWREIRUSI-LBPRGKRZSA-N 0 0 300.362 0.987 10 0 DCAERN CCN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000228402582 261154074 /nfs/dbraw/zinc/15/40/74/261154074.db2.gz JSIIYWYGCZOWET-RWMBFGLXSA-N 0 0 318.439 0.131 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000234561921 261154725 /nfs/dbraw/zinc/15/47/25/261154725.db2.gz CJZNBWPWUCONHB-KKOKHZNYSA-N 0 0 305.396 0.361 10 0 DCAERN CCN1CCCN(C(=O)c2cc(-n3ccnc3)ccn2)CC1=O ZINC000276355309 261170570 /nfs/dbraw/zinc/17/05/70/261170570.db2.gz OMNNQWCOPINNPU-UHFFFAOYSA-N 0 0 313.361 0.962 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)C2(CCF)CC2)CC1 ZINC000354287308 261201453 /nfs/dbraw/zinc/20/14/53/261201453.db2.gz ZQXGGVFKRNSBJM-UHFFFAOYSA-N 0 0 313.373 0.323 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)s1 ZINC000354725333 261264311 /nfs/dbraw/zinc/26/43/11/261264311.db2.gz HUABUPWDADAIEV-XVKPBYJWSA-N 0 0 311.363 0.560 10 0 DCAERN C[C@@H](CNC(=O)CCSc1ccccc1)S(N)(=O)=O ZINC000355668108 261355458 /nfs/dbraw/zinc/35/54/58/261355458.db2.gz QLCRQVYQYWTJSI-JTQLQIEISA-N 0 0 302.421 0.962 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC000357390997 261535195 /nfs/dbraw/zinc/53/51/95/261535195.db2.gz KMBHPBCKKYESPE-GHMZBOCLSA-N 0 0 324.381 0.142 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)Cn2nnn(C3CC3)c2=O)c1 ZINC000357450181 261542827 /nfs/dbraw/zinc/54/28/27/261542827.db2.gz HKQKZQNQKYVQRK-ZDUSSCGKSA-N 0 0 318.333 0.417 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357785930 261585795 /nfs/dbraw/zinc/58/57/95/261585795.db2.gz HTKFCBUBCXSAGH-NEPJUHHUSA-N 0 0 312.414 0.553 10 0 DCAERN COCCOCCCCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357854024 261593279 /nfs/dbraw/zinc/59/32/79/261593279.db2.gz ZPCKWMCPVWNLAR-ZDUSSCGKSA-N 0 0 315.414 0.692 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCC(C)(C)CCCO ZINC000357880517 261596309 /nfs/dbraw/zinc/59/63/09/261596309.db2.gz POUKMICFTSBEPB-NEPJUHHUSA-N 0 0 300.399 0.131 10 0 DCAERN CC(=O)N1CCN(C(=O)CSc2nnnn2C2CC2)[C@@H](C)C1 ZINC000357905053 261599269 /nfs/dbraw/zinc/59/92/69/261599269.db2.gz CCCGEFTWJZCGIU-VIFPVBQESA-N 0 0 324.410 0.179 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000357924072 261601582 /nfs/dbraw/zinc/60/15/82/261601582.db2.gz GURFNKSZZCLSHW-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC[C@@H](CO)C1CC1)n1cccn1 ZINC000358302218 261656623 /nfs/dbraw/zinc/65/66/23/261656623.db2.gz JNEYFRKIWDIJKS-AAEUAGOBSA-N 0 0 308.382 0.037 10 0 DCAERN COCCC1(C)CN(C(=O)NCCC(=O)N2CCOCC2)C1 ZINC000358449722 261670136 /nfs/dbraw/zinc/67/01/36/261670136.db2.gz FVWDXJIINPCCFI-UHFFFAOYSA-N 0 0 313.398 0.303 10 0 DCAERN C[C@@H](C(=O)NCc1ccc2cc[nH]c2n1)N1CCN(C)CC1 ZINC000359430208 261743988 /nfs/dbraw/zinc/74/39/88/261743988.db2.gz TYKKTOBPMOKQKC-LBPRGKRZSA-N 0 0 301.394 0.815 10 0 DCAERN C[C@H](C(=O)NCc1ccc2cc[nH]c2n1)N1CCN(C)CC1 ZINC000359430206 261744287 /nfs/dbraw/zinc/74/42/87/261744287.db2.gz TYKKTOBPMOKQKC-GFCCVEGCSA-N 0 0 301.394 0.815 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCCC(C)(C)O)c1 ZINC000359738816 261764531 /nfs/dbraw/zinc/76/45/31/261764531.db2.gz JCZYFRRNPCTOOP-UHFFFAOYSA-N 0 0 315.395 0.877 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000359775472 261767699 /nfs/dbraw/zinc/76/76/99/261767699.db2.gz QPCXYTSGCFOFSV-CYBMUJFWSA-N 0 0 305.378 0.999 10 0 DCAERN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CC(=O)N(C)C1 ZINC000360469306 261835420 /nfs/dbraw/zinc/83/54/20/261835420.db2.gz OEJKVGQDBLWPRW-JTQLQIEISA-N 0 0 311.332 0.744 10 0 DCAERN CO[C@](C)(CNC(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000360765003 261873219 /nfs/dbraw/zinc/87/32/19/261873219.db2.gz RDSYTGFFPKNHAX-JKSUJKDBSA-N 0 0 308.378 0.531 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N[C@H]1CCCNC1=O ZINC000361613771 261943855 /nfs/dbraw/zinc/94/38/55/261943855.db2.gz QLAUJXQFZMDNGV-RYUDHWBXSA-N 0 0 318.381 0.023 10 0 DCAERN COC[C@](C)(NC(=O)c1ccc(C(N)=O)cn1)C(F)(F)F ZINC000362201410 262009108 /nfs/dbraw/zinc/00/91/08/262009108.db2.gz GMLXQHZYTMCDAM-NSHDSACASA-N 0 0 305.256 0.878 10 0 DCAERN CN(CCCO)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000362218886 262010916 /nfs/dbraw/zinc/01/09/16/262010916.db2.gz VDQFMJQWOKTHSF-NSHDSACASA-N 0 0 309.341 0.955 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCC[C@H]1C ZINC000362621162 262053528 /nfs/dbraw/zinc/05/35/28/262053528.db2.gz ZAKBZOQZJFHGDV-FRRDWIJNSA-N 0 0 322.427 0.126 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000362661114 262057454 /nfs/dbraw/zinc/05/74/54/262057454.db2.gz BVPXTMDYAVEXLJ-RKDXNWHRSA-N 0 0 305.338 0.826 10 0 DCAERN CC(C)C(=O)N[C@@H](CO)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000362700988 262062725 /nfs/dbraw/zinc/06/27/25/262062725.db2.gz WXFPCUAXBAKUNT-LBPRGKRZSA-N 0 0 308.382 0.249 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CCC1=O ZINC000362911844 262086339 /nfs/dbraw/zinc/08/63/39/262086339.db2.gz VJPNKACYALXIKT-GPCCPHFNSA-N 0 0 311.407 0.177 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000363269329 262109450 /nfs/dbraw/zinc/10/94/50/262109450.db2.gz YAZILJZYWIKDOU-YTWAJWBKSA-N 0 0 323.422 0.421 10 0 DCAERN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CC(O)C3)c2C1 ZINC000363849879 262134166 /nfs/dbraw/zinc/13/41/66/262134166.db2.gz CTIRHGRHIHIBPE-UHFFFAOYSA-N 0 0 322.365 0.520 10 0 DCAERN NC(=O)c1cccnc1N1CCCN([C@H]2CCOC2=O)CC1 ZINC000370796270 262151265 /nfs/dbraw/zinc/15/12/65/262151265.db2.gz QHCRXOGVIDQASI-LBPRGKRZSA-N 0 0 304.350 0.008 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)NCCc2ccsc2)CC1 ZINC000046781191 270940723 /nfs/dbraw/zinc/94/07/23/270940723.db2.gz NJCPVFKAVCZBDI-UHFFFAOYSA-N 0 0 317.436 0.577 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCO[C@@H]1C ZINC000355858109 271028458 /nfs/dbraw/zinc/02/84/58/271028458.db2.gz NMYGRIYGMIMWRE-FRRDWIJNSA-N 0 0 318.439 0.874 10 0 DCAERN COC[C@@](C)(NS(=O)(=O)c1ccnn1C)C(F)(F)F ZINC000358798839 271074708 /nfs/dbraw/zinc/07/47/08/271074708.db2.gz LFHLMGCUVFZPGN-MRVPVSSYSA-N 0 0 301.290 0.666 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(F)cn2)C1 ZINC000359112255 271097274 /nfs/dbraw/zinc/09/72/74/271097274.db2.gz BUSXVQKHCPXPBV-GFCCVEGCSA-N 0 0 309.345 0.824 10 0 DCAERN COCCN(C(=O)NC[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000359116879 271097350 /nfs/dbraw/zinc/09/73/50/271097350.db2.gz IIGGOROCUFCJNP-GRYCIOLGSA-N 0 0 304.412 0.488 10 0 DCAERN CCc1nn(C)cc1NC(=O)C(=O)N(C)Cc1cc(C)on1 ZINC000359141563 271097489 /nfs/dbraw/zinc/09/74/89/271097489.db2.gz SWTBMBWGOLYTSL-UHFFFAOYSA-N 0 0 305.338 0.876 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)c2ccc(C(N)=O)cn2)no1 ZINC000359498029 271121513 /nfs/dbraw/zinc/12/15/13/271121513.db2.gz WAIDJBKVKNKLCZ-MRVPVSSYSA-N 0 0 319.321 0.591 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)c1cccc2ncnn21 ZINC000359656906 271139592 /nfs/dbraw/zinc/13/95/92/271139592.db2.gz JDSQRVVAUFKGPE-UHFFFAOYSA-N 0 0 313.321 0.846 10 0 DCAERN C[C@H](CNC(=O)C1C2CC3CC(C2)CC1C3)S(N)(=O)=O ZINC000398239804 271217978 /nfs/dbraw/zinc/21/79/78/271217978.db2.gz CRNRCLBCFSDKCO-GLFGPFBSSA-N 0 0 300.424 0.852 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)NCCOc2ccc(F)cc2)c1=O ZINC000435217060 271555890 /nfs/dbraw/zinc/55/58/90/271555890.db2.gz MYDMRJGZTWXBIB-UHFFFAOYSA-N 0 0 307.281 0.434 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000437615150 271622698 /nfs/dbraw/zinc/62/26/98/271622698.db2.gz HGUDGUWFJGEDMV-ZETCQYMHSA-N 0 0 306.244 0.017 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442424446 271669811 /nfs/dbraw/zinc/66/98/11/271669811.db2.gz WVHAZQQJPNFJJF-UHFFFAOYSA-N 0 0 319.321 0.769 10 0 DCAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccccc1)[C@H]1CCNC1=O ZINC000443041750 271694614 /nfs/dbraw/zinc/69/46/14/271694614.db2.gz XYSJMJOJQJOOLJ-YPMHNXCESA-N 0 0 303.362 0.542 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000445873868 271749742 /nfs/dbraw/zinc/74/97/42/271749742.db2.gz DDRSKZWWCOWEEI-VUDBWIFFSA-N 0 0 309.347 0.725 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCCC(=O)N(C)C)c1 ZINC000447260452 271781670 /nfs/dbraw/zinc/78/16/70/271781670.db2.gz ZULGBYRQWQKOJN-UHFFFAOYSA-N 0 0 311.313 0.367 10 0 DCAERN COc1cccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000447903689 271805708 /nfs/dbraw/zinc/80/57/08/271805708.db2.gz NYYPDILJZPYTGK-KRWDZBQOSA-N 0 0 316.357 0.924 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cncc(C(=O)OC)n2)CC12COC2 ZINC000450557216 271875540 /nfs/dbraw/zinc/87/55/40/271875540.db2.gz BPZOBKCKOPRFHK-SNVBAGLBSA-N 0 0 321.333 0.279 10 0 DCAERN O=C(CSc1ccc(F)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458124494 271942685 /nfs/dbraw/zinc/94/26/85/271942685.db2.gz JWLDZPXLRFRTKJ-LLVKDONJSA-N 0 0 310.354 0.687 10 0 DCAERN Cc1cc(C(=O)NC[C@H](O)Cn2ccnn2)nc2ccccc12 ZINC000458152326 271944632 /nfs/dbraw/zinc/94/46/32/271944632.db2.gz XHXRFIZLQWFRGW-LBPRGKRZSA-N 0 0 311.345 0.926 10 0 DCAERN Cc1ccsc1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458630432 271966038 /nfs/dbraw/zinc/96/60/38/271966038.db2.gz TWDPUEXHYIXPQY-NSHDSACASA-N 0 0 309.395 0.551 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000471668552 272028633 /nfs/dbraw/zinc/02/86/33/272028633.db2.gz KYOBEIZDPWHRGA-QWRGUYRKSA-N 0 0 302.334 0.475 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC(CC(N)=O)CC2)[nH]n1 ZINC000487556527 272041360 /nfs/dbraw/zinc/04/13/60/272041360.db2.gz VMSQYTSKZQZFGL-SNVBAGLBSA-N 0 0 307.398 0.946 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NCC1(O)CCC1 ZINC000489428747 272062064 /nfs/dbraw/zinc/06/20/64/272062064.db2.gz BCRBPTYKPYXNMZ-UHFFFAOYSA-N 0 0 303.366 0.876 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CC2CCC2)CC1 ZINC000491831033 272104972 /nfs/dbraw/zinc/10/49/72/272104972.db2.gz HGCVTMLBUXGWFD-UHFFFAOYSA-N 0 0 318.439 0.686 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CC3(C2)CCCC3)cn1C ZINC000492332437 272123983 /nfs/dbraw/zinc/12/39/83/272123983.db2.gz HJFPPRUBUPIOCN-UHFFFAOYSA-N 0 0 311.407 0.949 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000493391714 272185221 /nfs/dbraw/zinc/18/52/21/272185221.db2.gz WPVLNKYJUZDLJS-QWRGUYRKSA-N 0 0 321.377 0.741 10 0 DCAERN O=C(NC1(CO)CC1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000514926825 272411327 /nfs/dbraw/zinc/41/13/27/272411327.db2.gz KKEHFWRWGCCILR-SECBINFHSA-N 0 0 310.300 0.959 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CCOC1 ZINC000517772832 272474557 /nfs/dbraw/zinc/47/45/57/272474557.db2.gz OFKNOAGOOACGJG-WUHRBBMRSA-N 0 0 310.394 0.554 10 0 DCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC1CCC1 ZINC000522985721 272554361 /nfs/dbraw/zinc/55/43/61/272554361.db2.gz JLGNUSOUGUFGDG-UHFFFAOYSA-N 0 0 308.426 0.782 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@@H](O)[C@@H]2CCCO2)cn1 ZINC000529118856 272673774 /nfs/dbraw/zinc/67/37/74/272673774.db2.gz DLLNJOUTCNCEFC-OLZOCXBDSA-N 0 0 322.365 0.726 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000529762092 272707895 /nfs/dbraw/zinc/70/78/95/272707895.db2.gz IIZAKUONGWJLNX-JYJNAYRXSA-N 0 0 318.373 0.620 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000530514304 272744777 /nfs/dbraw/zinc/74/47/77/272744777.db2.gz VEHJNPXKXZSIBW-QWRGUYRKSA-N 0 0 321.443 0.571 10 0 DCAERN NC(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCC1 ZINC000530636934 287751919 /nfs/dbraw/zinc/75/19/19/287751919.db2.gz PKIKGVPPJQTMMM-LBPRGKRZSA-N 0 0 301.346 0.564 10 0 DCAERN C[C@H]1CN(c2ncnc3c2cnn3C)C[C@H]1N1CCOCC1 ZINC000246553748 274600986 /nfs/dbraw/zinc/60/09/86/274600986.db2.gz RCKZZFAFWANNBL-WCQYABFASA-N 0 0 302.382 0.520 10 0 DCAERN COC[C@@](C)(CC(=O)OC)NC(=O)c1cn2cccnc2n1 ZINC000531388607 287776772 /nfs/dbraw/zinc/77/67/72/287776772.db2.gz ONXZNZSSIDYJEA-CQSZACIVSA-N 0 0 306.322 0.427 10 0 DCAERN Cn1ccc(CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000535032404 287825475 /nfs/dbraw/zinc/82/54/75/287825475.db2.gz YBOFRTVJOCIABE-UHFFFAOYSA-N 0 0 303.370 0.171 10 0 DCAERN Cn1ccc(CNC(=O)N2CCN(Cc3cscn3)CC2)n1 ZINC000535744503 287840643 /nfs/dbraw/zinc/84/06/43/287840643.db2.gz BQDXWKMWPUJWIW-UHFFFAOYSA-N 0 0 320.422 0.904 10 0 DCAERN NC(=O)N[C@H](CC(=O)N1CC[C@H](NC(N)=O)C1)c1ccccc1 ZINC000536525422 287855383 /nfs/dbraw/zinc/85/53/83/287855383.db2.gz IRIBWHRMIQQWCG-NWDGAFQWSA-N 0 0 319.365 0.055 10 0 DCAERN Cn1ccc(CNC(=O)Cn2cc(C(N)=O)c3ccccc32)n1 ZINC000536565007 287857550 /nfs/dbraw/zinc/85/75/50/287857550.db2.gz QPZQYSYQWDKBKA-UHFFFAOYSA-N 0 0 311.345 0.790 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(CCCC(=O)NC(N)=O)C2 ZINC000171640538 276066076 /nfs/dbraw/zinc/06/60/76/276066076.db2.gz CEZZNUMBRNBIEW-UHFFFAOYSA-N 0 0 307.398 0.877 10 0 DCAERN C[C@H]1CN(C(=O)NCCCC2CC2)CCN1S(C)(=O)=O ZINC000540653164 287904839 /nfs/dbraw/zinc/90/48/39/287904839.db2.gz JELOQYWNOLQFRQ-NSHDSACASA-N 0 0 303.428 0.852 10 0 DCAERN CN1CCN(C[C@@H](O)COC[C@H]2CCCO2)c2cccnc21 ZINC000540865148 287906311 /nfs/dbraw/zinc/90/63/11/287906311.db2.gz CGZKZZFDEOSHOX-ZIAGYGMSSA-N 0 0 307.394 0.894 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189914559 277029107 /nfs/dbraw/zinc/02/91/07/277029107.db2.gz QTSXAJNSVVHXLY-CQSZACIVSA-N 0 0 317.389 0.969 10 0 DCAERN CC(=O)c1csc(NC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000345215863 277117481 /nfs/dbraw/zinc/11/74/81/277117481.db2.gz CXQGYQUJIZSEPG-UHFFFAOYSA-N 0 0 310.335 0.615 10 0 DCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)c1cccc(O)c1 ZINC000542819834 287948813 /nfs/dbraw/zinc/94/88/13/287948813.db2.gz FUDJXHWQXUXWNR-UHFFFAOYSA-N 0 0 300.380 0.840 10 0 DCAERN COc1c(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(C)nn1C ZINC000299746102 277364017 /nfs/dbraw/zinc/36/40/17/277364017.db2.gz VHAFMNRSAWLKBR-NXEZZACHSA-N 0 0 320.315 0.833 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CC1CC1 ZINC000543686367 287962625 /nfs/dbraw/zinc/96/26/25/287962625.db2.gz KDNNZDDAEAPRMX-LBPRGKRZSA-N 0 0 304.412 0.989 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000543750387 287965801 /nfs/dbraw/zinc/96/58/01/287965801.db2.gz WINYVAUKLLFOBK-MRXNPFEDSA-N 0 0 319.409 0.760 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000181033558 277771761 /nfs/dbraw/zinc/77/17/61/277771761.db2.gz WGQORRUXZXTWJM-GFCCVEGCSA-N 0 0 301.350 0.565 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CCN2C(=O)NC[C@@H]2C1 ZINC000302599039 277851830 /nfs/dbraw/zinc/85/18/30/277851830.db2.gz YDKWYHZVGYMQEH-SECBINFHSA-N 0 0 317.324 0.991 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000365960384 278025823 /nfs/dbraw/zinc/02/58/23/278025823.db2.gz KCCKTOWITFUFTC-OAGGEKHMSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000408052366 278031841 /nfs/dbraw/zinc/03/18/41/278031841.db2.gz LHPUBWUEDCFFHS-DJIMGWMZSA-N 0 0 324.421 0.513 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000270644460 278061658 /nfs/dbraw/zinc/06/16/58/278061658.db2.gz KOPGXJRDDPCHNF-QWHCGFSZSA-N 0 0 318.377 0.726 10 0 DCAERN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cn2cccnc2n1 ZINC000545962560 288007886 /nfs/dbraw/zinc/00/78/86/288007886.db2.gz VFINEBORAOBGFP-HNNXBMFYSA-N 0 0 320.349 0.552 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CC1CCC1)[C@@H](C)CO ZINC000332045105 278064317 /nfs/dbraw/zinc/06/43/17/278064317.db2.gz RSMVXDOVHLOASZ-GWCFXTLKSA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)C1 ZINC000191476090 278091185 /nfs/dbraw/zinc/09/11/85/278091185.db2.gz BNLDPYGOJIMFKO-HUUCEWRRSA-N 0 0 321.421 0.762 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC(C)(C)c2cnn(C)c2)C1 ZINC000546000368 288011863 /nfs/dbraw/zinc/01/18/63/288011863.db2.gz JDYRKTGDOGKPJE-LBPRGKRZSA-N 0 0 322.413 0.758 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)no1 ZINC000546025359 288012753 /nfs/dbraw/zinc/01/27/53/288012753.db2.gz WPHVMKXAJYDLGU-ZCFIWIBFSA-N 0 0 314.289 0.907 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000333541646 278119863 /nfs/dbraw/zinc/11/98/63/278119863.db2.gz JHPCDFYOETYOST-NEPJUHHUSA-N 0 0 310.402 0.200 10 0 DCAERN CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cnnn2C)C1 ZINC000408057962 278181318 /nfs/dbraw/zinc/18/13/18/278181318.db2.gz CJOZCCRBBNBGBP-WCBMZHEXSA-N 0 0 319.287 0.487 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000546675629 288025252 /nfs/dbraw/zinc/02/52/52/288025252.db2.gz APKFJECAWDQAJM-NSHDSACASA-N 0 0 308.386 0.103 10 0 DCAERN CC(C)c1cc(N[C@H]2CCCN(CCO)C2=O)n2ncnc2n1 ZINC000546732655 288028680 /nfs/dbraw/zinc/02/86/80/288028680.db2.gz PNRKZGYQEPIFQE-NSHDSACASA-N 0 0 318.381 0.643 10 0 DCAERN CC(C)(C)NC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756696 278362263 /nfs/dbraw/zinc/36/22/63/278362263.db2.gz JASJZMLAYGRKPL-NSHDSACASA-N 0 0 303.428 0.994 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000329380407 278682343 /nfs/dbraw/zinc/68/23/43/278682343.db2.gz PWQFOTHWNWDFDF-GFCCVEGCSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794718 288079970 /nfs/dbraw/zinc/07/99/70/288079970.db2.gz PONKZUFFOGNFLZ-OLZOCXBDSA-N 0 0 324.450 0.949 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000547794720 288080043 /nfs/dbraw/zinc/08/00/43/288080043.db2.gz PONKZUFFOGNFLZ-STQMWFEESA-N 0 0 324.450 0.949 10 0 DCAERN CCCS(=O)(=O)N1Cc2c(ncn2C)C[C@H]1C(=O)OC ZINC000012530305 278851588 /nfs/dbraw/zinc/85/15/88/278851588.db2.gz AMMPEASNCFQJRD-JTQLQIEISA-N 0 0 301.368 0.060 10 0 DCAERN O=C(Cc1ccoc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000547811271 288082032 /nfs/dbraw/zinc/08/20/32/288082032.db2.gz FTMJXRWDCRCJKS-UHFFFAOYSA-N 0 0 312.391 0.895 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000547979876 288097948 /nfs/dbraw/zinc/09/79/48/288097948.db2.gz DUHOSYPVFKYFLE-DGCLKSJQSA-N 0 0 314.345 0.940 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000548064184 288108287 /nfs/dbraw/zinc/10/82/87/288108287.db2.gz QCEZXTBYSWILRH-CJNGLKHVSA-N 0 0 320.389 0.817 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263024365 279351129 /nfs/dbraw/zinc/35/11/29/279351129.db2.gz RFCZDUFEXDJZRS-AAEUAGOBSA-N 0 0 314.336 0.491 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCO[C@]3(CCOC3)C1)CC2 ZINC000281483310 279411076 /nfs/dbraw/zinc/41/10/76/279411076.db2.gz VPYDDZSDTPKHNL-MLGOLLRUSA-N 0 0 305.378 0.543 10 0 DCAERN COCc1noc(CN2CCN(C(=O)NC[C@@H]3C[C@H]3C)CC2)n1 ZINC000548363607 288135861 /nfs/dbraw/zinc/13/58/61/288135861.db2.gz NNOKAURRKBFLMJ-NEPJUHHUSA-N 0 0 323.397 0.699 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccccc1-n1cccn1 ZINC000548389676 288139007 /nfs/dbraw/zinc/13/90/07/288139007.db2.gz RZOUOATVNFKYNU-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000548419744 288141018 /nfs/dbraw/zinc/14/10/18/288141018.db2.gz MYJPQSWXCGMULI-GFCCVEGCSA-N 0 0 317.393 0.430 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@](C)(O)C(C)C)C1 ZINC000408303739 279622623 /nfs/dbraw/zinc/62/26/23/279622623.db2.gz SEALMQTZLDQBEF-DGCLKSJQSA-N 0 0 306.428 0.322 10 0 DCAERN O=C(CCn1cncn1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000041815394 279761380 /nfs/dbraw/zinc/76/13/80/279761380.db2.gz BAFPGCFAHYOUFO-SNVBAGLBSA-N 0 0 320.378 0.754 10 0 DCAERN CC(C)[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCC1=O ZINC000172746701 279774169 /nfs/dbraw/zinc/77/41/69/279774169.db2.gz OCRKZTQQSRIFHS-ZBFHGGJFSA-N 0 0 323.437 0.567 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000548721220 288170609 /nfs/dbraw/zinc/17/06/09/288170609.db2.gz GELDCULYPSWAFI-GFCCVEGCSA-N 0 0 324.299 0.007 10 0 DCAERN CC(C)CN1CCN(C(=O)COc2cnn(C)c2)[C@H](C)C1=O ZINC000548762269 288173962 /nfs/dbraw/zinc/17/39/62/288173962.db2.gz NDQHXDCUJDFUMJ-GFCCVEGCSA-N 0 0 308.382 0.514 10 0 DCAERN Cn1cc(OCC(=O)NCC(=O)N2CCc3ccccc32)cn1 ZINC000548783210 288176427 /nfs/dbraw/zinc/17/64/27/288176427.db2.gz GEPHLMNNLPRSJR-UHFFFAOYSA-N 0 0 314.345 0.504 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000066498644 279940231 /nfs/dbraw/zinc/94/02/31/279940231.db2.gz OAXABPNANFAZMR-OFQRWUPVSA-N 0 0 323.437 0.613 10 0 DCAERN Cn1cc(OCC(=O)NCCc2ccc3c(c2)OCO3)cn1 ZINC000548843197 288181265 /nfs/dbraw/zinc/18/12/65/288181265.db2.gz INSOLTCQTBCDTC-UHFFFAOYSA-N 0 0 303.318 0.887 10 0 DCAERN COC(=O)c1ccc(N[C@@H]2CCCN(CCO)C2=O)nc1C ZINC000549002475 288189742 /nfs/dbraw/zinc/18/97/42/288189742.db2.gz MGOFBDXMRZCHHG-GFCCVEGCSA-N 0 0 307.350 0.572 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCN(C)C1=O ZINC000549043789 288190293 /nfs/dbraw/zinc/19/02/93/288190293.db2.gz GPFQZQQXMBYRNJ-DGCLKSJQSA-N 0 0 305.382 0.718 10 0 DCAERN Cn1nnc2c1nccc2C(=O)N1CCSC[C@@H]1CCO ZINC000549079971 288191423 /nfs/dbraw/zinc/19/14/23/288191423.db2.gz XELXOSIHPJZYIA-VIFPVBQESA-N 0 0 307.379 0.303 10 0 DCAERN CC(C)[C@@H]1N(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000329478566 280059291 /nfs/dbraw/zinc/05/92/91/280059291.db2.gz UVCBLPFECALRMG-SGMGOOAPSA-N 0 0 301.408 0.837 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000153227879 280346974 /nfs/dbraw/zinc/34/69/74/280346974.db2.gz DSXQPXLYEGZFPT-ZIAGYGMSSA-N 0 0 301.431 0.659 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2N)CCS1(=O)=O ZINC000274305711 288243495 /nfs/dbraw/zinc/24/34/95/288243495.db2.gz CBFCKLKOVOMVRD-SECBINFHSA-N 0 0 304.393 0.076 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ncsc1Br ZINC000553197824 288290615 /nfs/dbraw/zinc/29/06/15/288290615.db2.gz FPLNJWSHHSKUHW-BYPYZUCNSA-N 0 0 318.152 0.441 10 0 DCAERN CN1C[C@@H](NC(=O)c2ncsc2Br)CC1=O ZINC000553090955 288286444 /nfs/dbraw/zinc/28/64/44/288286444.db2.gz FPMCEWBHBMDLLK-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCOC)CCN1C[C@H](C)O ZINC000248367540 288294200 /nfs/dbraw/zinc/29/42/00/288294200.db2.gz UDXLKBJNEZHDNV-STQMWFEESA-N 0 0 308.444 0.130 10 0 DCAERN O=C(NC1CC1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000554219907 288315456 /nfs/dbraw/zinc/31/54/56/288315456.db2.gz HDWBTYNGSGZRMO-SNVBAGLBSA-N 0 0 301.412 0.652 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)[nH]n1 ZINC000554343749 288318583 /nfs/dbraw/zinc/31/85/83/288318583.db2.gz OFLPJDVBUHBYCE-DRZSPHRISA-N 0 0 322.409 0.385 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000370982915 281363725 /nfs/dbraw/zinc/36/37/25/281363725.db2.gz SSWNXVFSFVIDQM-NEPJUHHUSA-N 0 0 300.424 0.364 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1cn2cccnc2n1)c1cccnc1 ZINC000554471308 288322407 /nfs/dbraw/zinc/32/24/07/288322407.db2.gz AUTTXJDGFQNWPH-LBPRGKRZSA-N 0 0 311.301 0.768 10 0 DCAERN Cc1nc([C@@](C)(NC(=O)CN2CSCC2=O)C2CC2)no1 ZINC000554557551 288328587 /nfs/dbraw/zinc/32/85/87/288328587.db2.gz BUURLCPJLONIST-ZDUSSCGKSA-N 0 0 310.379 0.652 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)cn1 ZINC000554567908 288329204 /nfs/dbraw/zinc/32/92/04/288329204.db2.gz DGJVIIWZWHRAGF-OAHLLOKOSA-N 0 0 319.365 0.307 10 0 DCAERN CC1(C)[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H]2CCO[C@@H]21 ZINC000188218286 281510888 /nfs/dbraw/zinc/51/08/88/281510888.db2.gz YQONTJGFQZMBFQ-CKLFPEKLSA-N 0 0 314.345 0.861 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N1CC[C@@H](O)C1 ZINC000555340610 288349623 /nfs/dbraw/zinc/34/96/23/288349623.db2.gz VPUXMJZZLQHPLE-CQSZACIVSA-N 0 0 319.361 0.055 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000558595052 288449835 /nfs/dbraw/zinc/44/98/35/288449835.db2.gz HSGDZLJAJQYFKQ-CMPLNLGQSA-N 0 0 315.395 0.271 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000558669318 288454408 /nfs/dbraw/zinc/45/44/08/288454408.db2.gz PKTVJGWBDNQWRO-INIZCTEOSA-N 0 0 312.377 0.984 10 0 DCAERN CNS(=O)(=O)N1CCC(C(=O)NCCCC2CC2)CC1 ZINC000560499614 288507772 /nfs/dbraw/zinc/50/77/72/288507772.db2.gz ABKQFNXMQYFYRN-UHFFFAOYSA-N 0 0 303.428 0.469 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261798272 288748404 /nfs/dbraw/zinc/74/84/04/288748404.db2.gz VQQKTYHBSRPYDS-ZDUSSCGKSA-N 0 0 321.406 0.633 10 0 DCAERN CCOCc1nnc(N2CCC[C@@]3(CNC(=O)C3)C2)n1CC ZINC000565128953 288818990 /nfs/dbraw/zinc/81/89/90/288818990.db2.gz OYOBUUASXPQDCG-OAHLLOKOSA-N 0 0 307.398 0.941 10 0 DCAERN O=C(NCCOCC1CCC1)N(CCO)C1CCOCC1 ZINC000565695231 288871494 /nfs/dbraw/zinc/87/14/94/288871494.db2.gz UHPOIPYUQLEZCY-UHFFFAOYSA-N 0 0 300.399 0.986 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000173733877 288935078 /nfs/dbraw/zinc/93/50/78/288935078.db2.gz PSROKHVHSLUYOM-UHFFFAOYSA-N 0 0 319.405 0.960 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1nnnn1C(C)(C)C ZINC000329768188 289048226 /nfs/dbraw/zinc/04/82/26/289048226.db2.gz DNNZRZMNWHVZGW-CHWSQXEVSA-N 0 0 308.430 0.723 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408185548 289228683 /nfs/dbraw/zinc/22/86/83/289228683.db2.gz KUXLKBYECCXBHU-CYBMUJFWSA-N 0 0 304.412 0.297 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCCCC1 ZINC000174027658 289294573 /nfs/dbraw/zinc/29/45/73/289294573.db2.gz JBHBZKJEYPHXRY-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1ccn(-c2ccc(NC[C@@H](O)CN3CCOCC3)nn2)n1 ZINC000301747821 292731505 /nfs/dbraw/zinc/73/15/05/292731505.db2.gz ZMZPUYJXRCJSJO-CYBMUJFWSA-N 0 0 318.381 0.076 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1)N1CCSCC1 ZINC000332757964 289369998 /nfs/dbraw/zinc/36/99/98/289369998.db2.gz RRUNSPFKPLIVRL-OSMZGAPFSA-N 0 0 311.451 0.597 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532480 290081419 /nfs/dbraw/zinc/08/14/19/290081419.db2.gz NSYGEMAVVPSXES-MGPQQGTHSA-N 0 0 319.409 0.902 10 0 DCAERN C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266088 290287764 /nfs/dbraw/zinc/28/77/64/290287764.db2.gz IMXSDROBYTWUPI-NEPJUHHUSA-N 0 0 302.386 0.662 10 0 DCAERN COC[C@H](C)N(C)C(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000179478957 293015060 /nfs/dbraw/zinc/01/50/60/293015060.db2.gz PETPZKNJLBEZPP-RYUDHWBXSA-N 0 0 306.428 0.540 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)CN3CCCCC3=O)[C@H]2C1 ZINC000246553550 293794924 /nfs/dbraw/zinc/79/49/24/293794924.db2.gz LKXWDJWUZVZEEP-HZSPNIEDSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)C[C@@H](C)O1 ZINC000408009053 297049402 /nfs/dbraw/zinc/04/94/02/297049402.db2.gz HAPCLUHGLNQUJH-LOWDOPEQSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2C2CC2)C[C@@H](C)O1 ZINC000245641892 297052182 /nfs/dbraw/zinc/05/21/82/297052182.db2.gz XTDQGEYJKDXFTQ-WZRBSPASSA-N 0 0 304.412 0.451 10 0 DCAERN CO[C@@](C)(C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1F ZINC000192181535 294059673 /nfs/dbraw/zinc/05/96/73/294059673.db2.gz VZEQTXQKWOKQPK-IAQYHMDHSA-N 0 0 308.309 0.609 10 0 DCAERN Cn1c(=O)c2cc(C(=O)N3CCCC3(C)C)cnc2n(C)c1=O ZINC000102918884 294138252 /nfs/dbraw/zinc/13/82/52/294138252.db2.gz VQNRGKQZSBDUMU-UHFFFAOYSA-N 0 0 316.361 0.647 10 0 DCAERN Cn1cc(NC(=O)[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O ZINC000153856263 294266222 /nfs/dbraw/zinc/26/62/22/294266222.db2.gz YXKJLSTWPKRUSR-NSHDSACASA-N 0 0 315.329 0.589 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000408203593 295474503 /nfs/dbraw/zinc/47/45/03/295474503.db2.gz LOIHYRSRQJSERI-VIFPVBQESA-N 0 0 301.286 0.089 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCSC[C@@H]1c1ccccc1 ZINC000271405282 295540956 /nfs/dbraw/zinc/54/09/56/295540956.db2.gz ISODMDJRMSCIGY-NWDGAFQWSA-N 0 0 319.386 0.901 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H](C)O1 ZINC000333467182 297254620 /nfs/dbraw/zinc/25/46/20/297254620.db2.gz HPWYFRZUWKDBOW-NAWOPXAZSA-N 0 0 309.370 0.331 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CCO1 ZINC000333396685 297457086 /nfs/dbraw/zinc/45/70/86/297457086.db2.gz HZQXPTASEHNLID-NDBYEHHHSA-N 0 0 316.423 0.627 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333131639 297522525 /nfs/dbraw/zinc/52/25/25/297522525.db2.gz WWJMGCWBVRPGNJ-QCQGSNGOSA-N 0 0 309.410 0.990 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000159173551 301316264 /nfs/dbraw/zinc/31/62/64/301316264.db2.gz FPDRAVONBCSKFC-JTQLQIEISA-N 0 0 321.395 0.942 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@](C)(O)C3)cnc12 ZINC000180537075 302228588 /nfs/dbraw/zinc/22/85/88/302228588.db2.gz ZIPGIAQWYVFWMC-INIZCTEOSA-N 0 0 301.346 0.990 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000408228472 302291411 /nfs/dbraw/zinc/29/14/11/302291411.db2.gz XPCUCHBPMMEASS-STQMWFEESA-N 0 0 313.423 0.466 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)C3(O)CCOCC3)CCO2)cn1 ZINC000330043243 302942645 /nfs/dbraw/zinc/94/26/45/302942645.db2.gz CJYKTQSBTUTTBY-AWEZNQCLSA-N 0 0 309.366 0.036 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000120342502 303034308 /nfs/dbraw/zinc/03/43/08/303034308.db2.gz JALOZPWRGHSYRH-JTQLQIEISA-N 0 0 314.411 0.692 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000182116044 303307314 /nfs/dbraw/zinc/30/73/14/303307314.db2.gz MPJJCFOFQKERDA-VIFPVBQESA-N 0 0 318.251 0.737 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000174488223 303633413 /nfs/dbraw/zinc/63/34/13/303633413.db2.gz MZBFWQTVSOBBHA-HUUCEWRRSA-N 0 0 312.410 0.363 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000574924169 332850864 /nfs/dbraw/zinc/85/08/64/332850864.db2.gz BPERMAXHHFELJD-OAHLLOKOSA-N 0 0 321.425 0.944 10 0 DCAERN CC[C@@H](O)CN(CC(=O)NCCC(=O)OC)c1ccccc1 ZINC000170716512 332869890 /nfs/dbraw/zinc/86/98/90/332869890.db2.gz WTBSLYRTVTUATJ-CQSZACIVSA-N 0 0 308.378 0.943 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000187288083 332964360 /nfs/dbraw/zinc/96/43/60/332964360.db2.gz VNBXKSSKEOGSBV-UHFFFAOYSA-N 0 0 318.377 0.744 10 0 DCAERN COCCN1CCCN(C(=O)c2cccc3n[nH]nc32)CC1=O ZINC000189309665 333070617 /nfs/dbraw/zinc/07/06/17/333070617.db2.gz OGOBTSJOYLVBJQ-UHFFFAOYSA-N 0 0 317.349 0.279 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3cncnc3C2)C1(C)C ZINC000580298498 333073632 /nfs/dbraw/zinc/07/36/32/333073632.db2.gz WNTNGYIFPPRULO-CHWSQXEVSA-N 0 0 318.377 0.291 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CC(=O)N(C)c2ccccc21 ZINC000190224721 336261343 /nfs/dbraw/zinc/26/13/43/336261343.db2.gz DBRNOLYOTKEWOZ-ZWNOBZJWSA-N 0 0 310.375 0.977 10 0 DCAERN CN1C[C@H](NC(=O)c2csc(Br)c2)C(=O)N1 ZINC000393905030 337094305 /nfs/dbraw/zinc/09/43/05/337094305.db2.gz FRWRBCBHDNSOEZ-LURJTMIESA-N 0 0 304.169 0.586 10 0 DCAERN C[C@@H]1c2nncn2CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000582641008 337114037 /nfs/dbraw/zinc/11/40/37/337114037.db2.gz NWKHXMPHVYUQSP-LLVKDONJSA-N 0 0 324.344 0.591 10 0 DCAERN O=C1CN(C2CCC2)C(=O)N1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000583240101 337284797 /nfs/dbraw/zinc/28/47/97/337284797.db2.gz QMHGDNDGRSKGGR-SECBINFHSA-N 0 0 319.283 0.966 10 0 DCAERN C[C@H](CNC(=O)c1cc(Br)c[nH]1)S(N)(=O)=O ZINC000398481254 337311530 /nfs/dbraw/zinc/31/15/30/337311530.db2.gz RRAGQQXFDMNFCW-RXMQYKEDSA-N 0 0 310.173 0.184 10 0 DCAERN CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037803746 337366835 /nfs/dbraw/zinc/36/68/35/337366835.db2.gz BNDKQRMVQGCWBO-VIFPVBQESA-N 0 0 306.391 0.943 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000171012205 337671086 /nfs/dbraw/zinc/67/10/86/337671086.db2.gz PQPRPBMLCXUAKL-RYUDHWBXSA-N 0 0 312.414 0.553 10 0 DCAERN Cc1cnc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000173879407 341820744 /nfs/dbraw/zinc/82/07/44/341820744.db2.gz WQCDVGIKWTYPAN-VIFPVBQESA-N 0 0 303.409 0.780 10 0 DCAERN C[C@H](O)CCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000577167911 341893077 /nfs/dbraw/zinc/89/30/77/341893077.db2.gz BXALIIZHOCMDFP-LBPRGKRZSA-N 0 0 321.377 0.349 10 0 DCAERN O=C(NCc1cc[nH]n1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000577455274 341910578 /nfs/dbraw/zinc/91/05/78/341910578.db2.gz XGOIFNRZWUIYPH-UHFFFAOYSA-N 0 0 313.317 0.401 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000155769662 533736037 /nfs/dbraw/zinc/73/60/37/533736037.db2.gz BEBFZACRUHNXNZ-UWVGGRQHSA-N 0 0 307.325 0.877 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N[C@@H](C)c1nc[nH]n1 ZINC000302013431 533831986 /nfs/dbraw/zinc/83/19/86/533831986.db2.gz BEYXFEOFUKOABA-ZETCQYMHSA-N 0 0 302.298 0.291 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2ccc(F)cc2)CCN1CCO ZINC000187705527 533913249 /nfs/dbraw/zinc/91/32/49/533913249.db2.gz VZJLJRAOPGIBJB-ZDUSSCGKSA-N 0 0 309.385 0.440 10 0 DCAERN C[C@H]1CN(CC(=O)NCC2CCCCC2)CCS1(=O)=O ZINC000155460366 533914244 /nfs/dbraw/zinc/91/42/44/533914244.db2.gz ZBVLCPDWGPZFTM-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000294625739 533995897 /nfs/dbraw/zinc/99/58/97/533995897.db2.gz JKMGUKJCCXWQTO-QWHCGFSZSA-N 0 0 307.350 0.346 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)O1 ZINC000155491025 534130063 /nfs/dbraw/zinc/13/00/63/534130063.db2.gz UDZDIOSVOJDVBP-NEPJUHHUSA-N 0 0 316.365 0.340 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176076137 534186105 /nfs/dbraw/zinc/18/61/05/534186105.db2.gz CSGBKRIHHJKZON-CBAPKCEASA-N 0 0 318.317 0.128 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000155772773 534214452 /nfs/dbraw/zinc/21/44/52/534214452.db2.gz ZZUJKRPPQNNDGP-ZJUUUORDSA-N 0 0 307.325 0.877 10 0 DCAERN CC[C@H](NC(=O)c1cc(Br)nn1C)C(=O)OC ZINC000192157369 517824846 /nfs/dbraw/zinc/82/48/46/517824846.db2.gz IXMSTEJOWRVVPQ-LURJTMIESA-N 0 0 304.144 0.864 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(N2CCCC2)ccn1 ZINC000194937803 518199975 /nfs/dbraw/zinc/19/99/75/518199975.db2.gz XATCXWQKNINIOU-OAHLLOKOSA-N 0 0 315.421 0.411 10 0 DCAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2cnnn2C)no1 ZINC000275898075 534370363 /nfs/dbraw/zinc/37/03/63/534370363.db2.gz IFYGWVLJIKIZLY-RYUDHWBXSA-N 0 0 323.376 0.551 10 0 DCAERN Cc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)no1 ZINC000328625276 534391635 /nfs/dbraw/zinc/39/16/35/534391635.db2.gz KOWSHFBCKMJRRZ-IAQYHMDHSA-N 0 0 318.381 0.790 10 0 DCAERN CC(C)(CCO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000177754166 519220781 /nfs/dbraw/zinc/22/07/81/519220781.db2.gz GRIFQMJWENKAIA-UHFFFAOYSA-N 0 0 319.361 0.215 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1N1CCOCC1 ZINC000173962791 534413534 /nfs/dbraw/zinc/41/35/34/534413534.db2.gz GSAAQNBVXNNRJE-GHMZBOCLSA-N 0 0 323.418 0.640 10 0 DCAERN CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247102103 519311390 /nfs/dbraw/zinc/31/13/90/519311390.db2.gz MSBXGJHZBWERKV-QWHCGFSZSA-N 0 0 319.471 0.503 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000189958336 519648182 /nfs/dbraw/zinc/64/81/82/519648182.db2.gz IJBCZJWERWQZGN-UHFFFAOYSA-N 0 0 313.361 0.902 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCOc2ncccc2Cl)C1 ZINC000190251510 519648547 /nfs/dbraw/zinc/64/85/47/519648547.db2.gz QOFFYTIWDIRQSR-UHFFFAOYSA-N 0 0 312.757 0.644 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188122330 519651001 /nfs/dbraw/zinc/65/10/01/519651001.db2.gz JOSPRSBBAHXHQG-LBPRGKRZSA-N 0 0 324.406 0.367 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156576401 519659464 /nfs/dbraw/zinc/65/94/64/519659464.db2.gz XIFISNGJFMAFNH-LBPRGKRZSA-N 0 0 322.413 0.542 10 0 DCAERN CC(C)[C@@H](C(=O)NCc1ccnn1C)N1CCCS1(=O)=O ZINC000131734269 519789327 /nfs/dbraw/zinc/78/93/27/519789327.db2.gz BHBLKWDRTYVKRS-LBPRGKRZSA-N 0 0 314.411 0.096 10 0 DCAERN CC(C)c1cc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)no1 ZINC000266350622 519833422 /nfs/dbraw/zinc/83/34/22/519833422.db2.gz DSYKSHQJGBZTRH-VIFPVBQESA-N 0 0 316.383 0.953 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158025970 519943944 /nfs/dbraw/zinc/94/39/44/519943944.db2.gz SNGHKMKCBGGRIV-HZSPNIEDSA-N 0 0 300.399 0.407 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000158122603 520530534 /nfs/dbraw/zinc/53/05/34/520530534.db2.gz ATUXINJVKZCXLH-SNVBAGLBSA-N 0 0 318.361 0.703 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000190129851 520681725 /nfs/dbraw/zinc/68/17/25/520681725.db2.gz QBIBSAQBPUUNST-CHWSQXEVSA-N 0 0 305.378 0.875 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000187016954 534519258 /nfs/dbraw/zinc/51/92/58/534519258.db2.gz NXLYERJCCJIAPK-UHFFFAOYSA-N 0 0 312.285 0.545 10 0 DCAERN CCC[C@H](C)CS(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116904403 521022517 /nfs/dbraw/zinc/02/25/17/521022517.db2.gz GMYRJUXEYVNALQ-QWRGUYRKSA-N 0 0 312.457 0.376 10 0 DCAERN CCN(CCc1nccs1)C(=O)CN1C(=O)CN(C)C1=O ZINC000131175888 521173575 /nfs/dbraw/zinc/17/35/75/521173575.db2.gz JAWGFTBQXIIGNW-UHFFFAOYSA-N 0 0 310.379 0.428 10 0 DCAERN CCS(=O)(=O)CCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159347293 521640452 /nfs/dbraw/zinc/64/04/52/521640452.db2.gz GEIIYUXAKTTZHE-OLZOCXBDSA-N 0 0 317.407 0.839 10 0 DCAERN CCc1ccccc1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000188279945 521821519 /nfs/dbraw/zinc/82/15/19/521821519.db2.gz SQMWFXONQBNVKL-INIZCTEOSA-N 0 0 306.406 0.601 10 0 DCAERN CNC(=O)c1cccnc1NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000157339045 521920074 /nfs/dbraw/zinc/92/00/74/521920074.db2.gz VGKGXCPMOWFMHU-SNVBAGLBSA-N 0 0 312.395 0.135 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1CCc1cccnc1)N1CCOCC1 ZINC000299741805 534600184 /nfs/dbraw/zinc/60/01/84/534600184.db2.gz GFOKPXSBSZEHQQ-CABCVRRESA-N 0 0 307.369 0.895 10 0 DCAERN COC(C)(C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177518936 522457783 /nfs/dbraw/zinc/45/77/83/522457783.db2.gz BPKQHTOSTUNVMO-UHFFFAOYSA-N 0 0 304.412 0.484 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCCNC(=O)c1cccnc1 ZINC000189119305 522592929 /nfs/dbraw/zinc/59/29/29/522592929.db2.gz TTWZFKNMTNYUEZ-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000130639241 523111064 /nfs/dbraw/zinc/11/10/64/523111064.db2.gz CKBHTPBKNZTMHA-KGLIPLIRSA-N 0 0 318.373 0.803 10 0 DCAERN COCCCN(CCO)C(=O)Cn1cnc2ccccc2c1=O ZINC000189051561 523241688 /nfs/dbraw/zinc/24/16/88/523241688.db2.gz WRIXXDIYVWIKSU-UHFFFAOYSA-N 0 0 319.361 0.254 10 0 DCAERN COC(=O)N[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000127556378 523460111 /nfs/dbraw/zinc/46/01/11/523460111.db2.gz JRIDWTQLFWQMJW-OLZOCXBDSA-N 0 0 323.397 0.897 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CCCN3C(C)=O)CCO2)cn1 ZINC000191596155 523480987 /nfs/dbraw/zinc/48/09/87/523480987.db2.gz CTXKXSDJAGYZIA-LSDHHAIUSA-N 0 0 320.393 0.814 10 0 DCAERN CCn1cc([C@H]2CN([C@@H](C)C(=O)NC(=O)NC)CCO2)cn1 ZINC000190777031 523482943 /nfs/dbraw/zinc/48/29/43/523482943.db2.gz QKENWCQCMOPZAB-CMPLNLGQSA-N 0 0 309.370 0.120 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000188748519 523589672 /nfs/dbraw/zinc/58/96/72/523589672.db2.gz MIFGYMRBFZYEQB-GFCCVEGCSA-N 0 0 322.292 0.673 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CC[C@@H](O)C2)[C@@H]1c1cccnc1 ZINC000248872548 523706167 /nfs/dbraw/zinc/70/61/67/523706167.db2.gz BBXCPUKXACYEJI-UYHMYPTGSA-N 0 0 317.389 0.878 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000365108252 523945212 /nfs/dbraw/zinc/94/52/12/523945212.db2.gz CDXHXBXUKCBWFO-WMZOPIPTSA-N 0 0 318.417 0.913 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104212294 523983922 /nfs/dbraw/zinc/98/39/22/523983922.db2.gz WVKDIJCMIRREIP-UHFFFAOYSA-N 0 0 322.756 0.476 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(-c2cnn(C)c2)no1 ZINC000188601760 523990653 /nfs/dbraw/zinc/99/06/53/523990653.db2.gz VPGBXTGBOWELQQ-GXFFZTMASA-N 0 0 306.322 0.183 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)CCC1=O ZINC000162920224 524011766 /nfs/dbraw/zinc/01/17/66/524011766.db2.gz ZKXCOYOFFUQGOF-LNSITVRQSA-N 0 0 303.362 0.565 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366052687 524016577 /nfs/dbraw/zinc/01/65/77/524016577.db2.gz TXQRJYDXHHEZFG-FVCCEPFGSA-N 0 0 318.439 0.730 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187976428 524071806 /nfs/dbraw/zinc/07/18/06/524071806.db2.gz UUZGERKYVUMVCJ-UHFFFAOYSA-N 0 0 315.373 0.925 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000194242005 524310209 /nfs/dbraw/zinc/31/02/09/524310209.db2.gz IDUHBCSBKNIQSI-OIBJUYFYSA-N 0 0 316.404 0.406 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)N1CC(CO)C1)C(C)C ZINC000122178038 524352205 /nfs/dbraw/zinc/35/22/05/524352205.db2.gz SEXGVUHEQOPNLN-OAHLLOKOSA-N 0 0 320.389 0.900 10 0 DCAERN C[C@H](CNC(=O)c1cnn2c1CCCC2)CN1CCOCC1 ZINC000127516892 524474265 /nfs/dbraw/zinc/47/42/65/524474265.db2.gz IJVBXMMGHPHDSC-CYBMUJFWSA-N 0 0 306.410 0.918 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@@H]2C[C@H]2C)n1 ZINC000192009830 524574629 /nfs/dbraw/zinc/57/46/29/524574629.db2.gz WMDFKPCXUBRACD-LDYMZIIASA-N 0 0 314.349 0.742 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188487542 524599713 /nfs/dbraw/zinc/59/97/13/524599713.db2.gz XFIXYROBGYNUAD-VIFPVBQESA-N 0 0 315.333 0.059 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@](O)(CO)C2)c1C ZINC000459640356 534796171 /nfs/dbraw/zinc/79/61/71/534796171.db2.gz FDRNXCGWAGVOCQ-MRXNPFEDSA-N 0 0 308.378 0.836 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249158633 524777139 /nfs/dbraw/zinc/77/71/39/524777139.db2.gz XUMQCSRMRXTRNJ-RYUDHWBXSA-N 0 0 308.378 0.928 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)[nH]n1 ZINC000124347169 524829936 /nfs/dbraw/zinc/82/99/36/524829936.db2.gz BGHHFCMBYDNEEX-ONGXEEELSA-N 0 0 314.411 0.478 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(Cl)n2)C[C@@H]1N1CCOCC1 ZINC000189452269 524883227 /nfs/dbraw/zinc/88/32/27/524883227.db2.gz WXARDFDADYXXNC-PWSUYJOCSA-N 0 0 310.785 0.923 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CC(=O)N(C)C3)CC2)nc1 ZINC000157693378 524939353 /nfs/dbraw/zinc/93/93/53/524939353.db2.gz QYLIHGUESVPKKL-ZDUSSCGKSA-N 0 0 316.405 0.953 10 0 DCAERN Cc1cc(F)ccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000134210484 524966974 /nfs/dbraw/zinc/96/69/74/524966974.db2.gz WWQKWMHJKJFPKV-NSHDSACASA-N 0 0 300.355 0.898 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000190116467 525050890 /nfs/dbraw/zinc/05/08/90/525050890.db2.gz LIJQUJCRIXQLHY-NOZJJQNGSA-N 0 0 303.355 0.915 10 0 DCAERN COc1ncccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190174684 525054512 /nfs/dbraw/zinc/05/45/12/525054512.db2.gz DMSGGCORPSCAAJ-UHFFFAOYSA-N 0 0 304.350 0.510 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@@H]1CCCC1(C)C)c2=O ZINC000174933874 534837663 /nfs/dbraw/zinc/83/76/63/534837663.db2.gz POYPLJFXRVWUSG-LLVKDONJSA-N 0 0 303.366 0.825 10 0 DCAERN C[S@](=O)CCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000155790864 525381618 /nfs/dbraw/zinc/38/16/18/525381618.db2.gz IHUMPHNKXMOREM-RNODOKPDSA-N 0 0 302.440 0.468 10 0 DCAERN C[C@@H](O)CCNC(=O)CNC(=O)c1ccccc1OC(F)F ZINC000127431581 525767840 /nfs/dbraw/zinc/76/78/40/525767840.db2.gz SFYVFKXOKBNXAB-SECBINFHSA-N 0 0 316.304 0.905 10 0 DCAERN C[C@@]1(O)CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000188427325 525885183 /nfs/dbraw/zinc/88/51/83/525885183.db2.gz BBCUUGIPIJCMEC-SWLSCSKDSA-N 0 0 305.382 0.612 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](n2cncn2)C1 ZINC000245833755 526014521 /nfs/dbraw/zinc/01/45/21/526014521.db2.gz UEQKUGOFRZFSCZ-VXGBXAGGSA-N 0 0 322.413 0.928 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@H](C)CO)c(O)c1 ZINC000126849008 526160362 /nfs/dbraw/zinc/16/03/62/526160362.db2.gz FTMQDYCGNWGSIH-NEPJUHHUSA-N 0 0 308.378 0.954 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)C2)c1 ZINC000158384753 526265623 /nfs/dbraw/zinc/26/56/23/526265623.db2.gz JOOXKKYZTXJXAL-CYBMUJFWSA-N 0 0 316.365 0.727 10 0 DCAERN Cc1nnc([C@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856308 526536656 /nfs/dbraw/zinc/53/66/56/526536656.db2.gz RLVVWFRGPUXTTA-SECBINFHSA-N 0 0 321.303 0.555 10 0 DCAERN Cc1noc(CCNC(=O)CCNC(=O)c2ccsc2)n1 ZINC000119686318 526606509 /nfs/dbraw/zinc/60/65/09/526606509.db2.gz HXOHAGLFIFCJOU-UHFFFAOYSA-N 0 0 308.363 0.918 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)n1 ZINC000193083561 526659975 /nfs/dbraw/zinc/65/99/75/526659975.db2.gz XKHZGTXXSSDOLP-QMMMGPOBSA-N 0 0 322.394 0.909 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cnc(N(C)C)n1C ZINC000330761937 526677615 /nfs/dbraw/zinc/67/76/15/526677615.db2.gz HKFQMEJOJCWHBT-LLVKDONJSA-N 0 0 311.411 0.024 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCn1cnnc1C(C)C ZINC000330956596 526678995 /nfs/dbraw/zinc/67/89/95/526678995.db2.gz UUJDOUZPNFSABO-NSHDSACASA-N 0 0 311.411 0.439 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000331002107 526679064 /nfs/dbraw/zinc/67/90/64/526679064.db2.gz QYUIESPYQADKIW-KOLCDFICSA-N 0 0 302.396 0.706 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NC[C@H]2CN3CCN2CC3)s1 ZINC000178625662 526803909 /nfs/dbraw/zinc/80/39/09/526803909.db2.gz RVGZPQFDLYNABN-LBPRGKRZSA-N 0 0 322.434 0.114 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000189844346 526853914 /nfs/dbraw/zinc/85/39/14/526853914.db2.gz NXIHEHNSRULCLZ-ISUDXETCSA-N 0 0 305.309 0.975 10 0 DCAERN O=C(CNC(=O)c1ccc(-c2ncon2)cc1)N1CCOCC1 ZINC000181042562 526854126 /nfs/dbraw/zinc/85/41/26/526854126.db2.gz PQIKQSBTNIWZTJ-UHFFFAOYSA-N 0 0 316.317 0.325 10 0 DCAERN O=C(c1cnn2c1CCCC2)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000127988335 526889708 /nfs/dbraw/zinc/88/97/08/526889708.db2.gz JAZQVCPNQDDEHK-GFCCVEGCSA-N 0 0 302.334 0.239 10 0 DCAERN O=C1C[C@H](Nc2cc(N3CCC[C@@H]3CO)ncn2)CN1C1CC1 ZINC000267570658 527030400 /nfs/dbraw/zinc/03/04/00/527030400.db2.gz AAZYGBQHRRWCSS-WCQYABFASA-N 0 0 317.393 0.613 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191641602 527072948 /nfs/dbraw/zinc/07/29/48/527072948.db2.gz HLELYPORHVEFSZ-AAEUAGOBSA-N 0 0 312.333 0.297 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000331315582 527154922 /nfs/dbraw/zinc/15/49/22/527154922.db2.gz IZUYQLQLZKKBGX-MRXNPFEDSA-N 0 0 308.378 0.994 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000157443815 527258329 /nfs/dbraw/zinc/25/83/29/527258329.db2.gz RGKUDOBZHZZBPR-UHFFFAOYSA-N 0 0 316.365 0.494 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@@]3(O)CCSC3)CCO2)cn1 ZINC000270861573 527311156 /nfs/dbraw/zinc/31/11/56/527311156.db2.gz LLGNZRIJJCNWSJ-ZIAGYGMSSA-N 0 0 311.407 0.362 10 0 DCAERN O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CC(CO)C2)C1 ZINC000156986434 527506078 /nfs/dbraw/zinc/50/60/78/527506078.db2.gz SQOFQTNHNSZGFI-ZDUSSCGKSA-N 0 0 309.410 0.801 10 0 DCAERN O=C(NC1CN(C[C@@H](O)COc2ccccc2F)C1)C1CC1 ZINC000187979109 527543830 /nfs/dbraw/zinc/54/38/30/527543830.db2.gz RPSJOTJEQOGWAW-CYBMUJFWSA-N 0 0 308.353 0.776 10 0 DCAERN Cn1nccc1CCC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000124128204 527602619 /nfs/dbraw/zinc/60/26/19/527602619.db2.gz SVPUGHDATOOOEF-JTQLQIEISA-N 0 0 318.299 0.632 10 0 DCAERN Cn1nccc1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000163529652 527608996 /nfs/dbraw/zinc/60/89/96/527608996.db2.gz GAUGGIBQWUATLP-GFCCVEGCSA-N 0 0 300.366 0.893 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000178716819 528017445 /nfs/dbraw/zinc/01/74/45/528017445.db2.gz BNQHENJLSWQNGJ-GHMZBOCLSA-N 0 0 312.414 0.492 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180980434 528212374 /nfs/dbraw/zinc/21/23/74/528212374.db2.gz MKEDHSXEMHJFQD-LBPRGKRZSA-N 0 0 301.416 0.577 10 0 DCAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176572831 528550260 /nfs/dbraw/zinc/55/02/60/528550260.db2.gz JZNBSYIMLXPKGC-HXUWFJFHSA-N 0 0 301.416 0.808 10 0 DCAERN CCC(CC)(CO)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000159214947 528706234 /nfs/dbraw/zinc/70/62/34/528706234.db2.gz CJXXZOZKIKFTTI-RYUDHWBXSA-N 0 0 308.444 0.729 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000299738686 528716487 /nfs/dbraw/zinc/71/64/87/528716487.db2.gz FGNAJVBSQFSGOW-JTQLQIEISA-N 0 0 315.399 0.144 10 0 DCAERN CC1(C)CCC[C@@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000176614085 528966668 /nfs/dbraw/zinc/96/66/68/528966668.db2.gz DFIMETSTGQLTFX-QWRGUYRKSA-N 0 0 303.428 0.898 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](CC)OC)CC12COC2 ZINC000454971779 535668446 /nfs/dbraw/zinc/66/84/46/535668446.db2.gz AKHKXMALZRGYAU-NWDGAFQWSA-N 0 0 314.382 0.633 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000284593631 536150158 /nfs/dbraw/zinc/15/01/58/536150158.db2.gz MMFIWSBRRHLGPH-OLZOCXBDSA-N 0 0 307.398 0.919 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000285235653 536785915 /nfs/dbraw/zinc/78/59/15/536785915.db2.gz XNPZNXZXWZJDNV-DTWKUNHWSA-N 0 0 307.318 0.735 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000284604881 536818835 /nfs/dbraw/zinc/81/88/35/536818835.db2.gz SYMQKEOBZKBEDS-ZFWWWQNUSA-N 0 0 306.362 0.946 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073973313 545667797 /nfs/dbraw/zinc/66/77/97/545667797.db2.gz HZUUEFJDWPYKAI-MRVPVSSYSA-N 0 0 315.289 0.837 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775064 545670753 /nfs/dbraw/zinc/67/07/53/545670753.db2.gz NMMMKJCCSSOUQF-HNNXBMFYSA-N 0 0 312.435 0.821 10 0 DCAERN Cn1nc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1=O ZINC000076248935 545677176 /nfs/dbraw/zinc/67/71/76/545677176.db2.gz FBDRXFPRZFNWOY-VXGBXAGGSA-N 0 0 323.418 0.907 10 0 DCAERN Cc1n[nH]cc1CN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000133969567 545799613 /nfs/dbraw/zinc/79/96/13/545799613.db2.gz TVGXRSPZZQPAMH-UHFFFAOYSA-N 0 0 312.381 0.786 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000136469173 545806411 /nfs/dbraw/zinc/80/64/11/545806411.db2.gz KNJUMMKRXSOUBN-CYBMUJFWSA-N 0 0 309.410 0.810 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000152096094 545821675 /nfs/dbraw/zinc/82/16/75/545821675.db2.gz GIQTVIBFXRKNRT-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC000153380527 545831555 /nfs/dbraw/zinc/83/15/55/545831555.db2.gz HOHKNDHPDBTYHS-GHMZBOCLSA-N 0 0 304.412 0.630 10 0 DCAERN CCCN(C)S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000162165513 545869157 /nfs/dbraw/zinc/86/91/57/545869157.db2.gz NQRDKHYUTHDALL-UHFFFAOYSA-N 0 0 301.416 0.759 10 0 DCAERN Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164470987 545876575 /nfs/dbraw/zinc/87/65/75/545876575.db2.gz IQEPDSFMYBXOBT-GHMZBOCLSA-N 0 0 302.378 0.703 10 0 DCAERN COc1ccc(NC(=O)CN2CCOC[C@@H]2CO)cc1Cl ZINC000168891873 545879367 /nfs/dbraw/zinc/87/93/67/545879367.db2.gz OKTOMXSYQAIMRW-NSHDSACASA-N 0 0 314.769 0.980 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3ccc(C)cn3c2=O)C1 ZINC000176425814 545887634 /nfs/dbraw/zinc/88/76/34/545887634.db2.gz SYBGPZFLNQUOPN-UHFFFAOYSA-N 0 0 314.345 0.211 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCN(C2CC2)CC1 ZINC000177908122 545893170 /nfs/dbraw/zinc/89/31/70/545893170.db2.gz KFQKXSDNMKHUCH-UHFFFAOYSA-N 0 0 317.393 0.538 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCC[C@H]1O ZINC000179457492 545899111 /nfs/dbraw/zinc/89/91/11/545899111.db2.gz WKZIQSMIJCDBMS-QWHCGFSZSA-N 0 0 312.391 0.676 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cn3ccnc3s2)O1 ZINC000188758870 545918316 /nfs/dbraw/zinc/91/83/16/545918316.db2.gz KVBAUZGWSVCJOR-NXEZZACHSA-N 0 0 322.390 0.761 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)ccn1C ZINC000192520426 545927841 /nfs/dbraw/zinc/92/78/41/545927841.db2.gz QHNYAXVGJRHILO-YPMHNXCESA-N 0 0 313.423 0.781 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000246087616 545963116 /nfs/dbraw/zinc/96/31/16/545963116.db2.gz IZMQIHYXFWPKKV-IHRRRGAJSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@H]1N1CCOCC1 ZINC000329574615 546052079 /nfs/dbraw/zinc/05/20/79/546052079.db2.gz NVGJRVMHMSELSN-YIDVYQOGSA-N 0 0 324.421 0.217 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000332783672 546059757 /nfs/dbraw/zinc/05/97/57/546059757.db2.gz LJYXHOVLXGKGSK-FBKDDSFISA-N 0 0 321.381 0.169 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)sc1C ZINC000333103736 546072005 /nfs/dbraw/zinc/07/20/05/546072005.db2.gz DESMPPJMGIXALH-SECBINFHSA-N 0 0 316.408 0.158 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333358858 546078591 /nfs/dbraw/zinc/07/85/91/546078591.db2.gz GWZIOGJGJKFFCM-AGIUHOORSA-N 0 0 321.381 0.170 10 0 DCAERN Cn1cnn(CCC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1=O ZINC000333513469 546083258 /nfs/dbraw/zinc/08/32/58/546083258.db2.gz MMBTXQZSSCFFJC-DVZHBHJUSA-N 0 0 304.394 0.867 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@H]1CCCC[C@H]1CO)CCCC2 ZINC000333536119 546083906 /nfs/dbraw/zinc/08/39/06/546083906.db2.gz KBFKGRVJZXQFFP-RYUDHWBXSA-N 0 0 307.394 0.804 10 0 DCAERN COCCOc1ncccc1C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000358697416 546193554 /nfs/dbraw/zinc/19/35/54/546193554.db2.gz VHPYMNDZPXWAEE-LBPRGKRZSA-N 0 0 321.377 0.800 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000389958412 546218788 /nfs/dbraw/zinc/21/87/88/546218788.db2.gz VAKYJGXIGMUGOT-UHFFFAOYSA-N 0 0 308.363 0.886 10 0 DCAERN COCCOc1ccccc1NC(=O)C(=O)N(C)CCCO ZINC000443339350 546256516 /nfs/dbraw/zinc/25/65/16/546256516.db2.gz XZCDJLIIENMJSS-UHFFFAOYSA-N 0 0 310.350 0.491 10 0 DCAERN CN1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC000534995466 546290154 /nfs/dbraw/zinc/29/01/54/546290154.db2.gz SIRKVVATNLWTAI-TZMCWYRMSA-N 0 0 317.393 0.625 10 0 DCAERN CCOC(=O)c1cnc(-n2cc(S(C)(=O)=O)cn2)s1 ZINC000725250591 548749331 /nfs/dbraw/zinc/74/93/31/548749331.db2.gz JLNNQDWFDLGVMU-UHFFFAOYSA-N 0 0 301.349 0.909 10 0 DCAERN CS(=O)(=O)c1cnn(-c2cc(Br)ncn2)c1 ZINC000725242322 548749447 /nfs/dbraw/zinc/74/94/47/548749447.db2.gz UHTIRHNZEHNCFB-UHFFFAOYSA-N 0 0 303.141 0.828 10 0 DCAERN CCCn1c(CO)nn(CN2CCCNC(=O)[C@H]2C)c1=S ZINC000190701968 660514761 /nfs/dbraw/zinc/51/47/61/660514761.db2.gz BBWUFHNCYZROEK-SNVBAGLBSA-N 0 0 313.427 0.484 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(=O)[nH]1 ZINC000888094433 661160024 /nfs/dbraw/zinc/16/00/24/661160024.db2.gz OKXNRHSHUAOYBG-QWHCGFSZSA-N 0 0 318.333 0.405 10 0 DCAERN C[C@H](NC(=O)CNC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000068713798 665438767 /nfs/dbraw/zinc/43/87/67/665438767.db2.gz SUHABHRIVGYTOC-JTQLQIEISA-N 0 0 304.350 0.659 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)C[C@@H](C(N)=O)O1 ZINC000255369282 657512323 /nfs/dbraw/zinc/51/23/23/657512323.db2.gz XVCKHXDHXADSIQ-RHZMEEDWSA-N 0 0 310.375 0.562 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000090285051 657678259 /nfs/dbraw/zinc/67/82/59/657678259.db2.gz YQCXPFLABQEMRP-GFCCVEGCSA-N 0 0 321.782 0.217 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC(=O)N(C)C ZINC000255151493 657835461 /nfs/dbraw/zinc/83/54/61/657835461.db2.gz UPWCSXRLLVBTQM-NSHDSACASA-N 0 0 307.398 0.235 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)Cc1nc[nH]n1 ZINC000255583510 657958899 /nfs/dbraw/zinc/95/88/99/657958899.db2.gz OEKIRYHHPHPYCI-JTQLQIEISA-N 0 0 303.370 0.465 10 0 DCAERN COC[C@@H](C)OC[C@@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724205512 658054461 /nfs/dbraw/zinc/05/44/61/658054461.db2.gz QTFZJSGRDNMTHK-ZJUUUORDSA-N 0 0 301.305 0.662 10 0 DCAERN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1c(Br)nnn1C ZINC000724220035 658066338 /nfs/dbraw/zinc/06/63/38/658066338.db2.gz RGGAIVLYGVRRNS-NKWVEPMBSA-N 0 0 303.160 0.827 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@@H](O)c1ccsc1 ZINC000160530357 658186751 /nfs/dbraw/zinc/18/67/51/658186751.db2.gz SFDFOXUTBBLCJH-GFCCVEGCSA-N 0 0 305.359 0.723 10 0 DCAERN CN1CCO[C@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139524 658219259 /nfs/dbraw/zinc/21/92/59/658219259.db2.gz BCPGDPAEIHIDLK-MRVPVSSYSA-N 0 0 320.802 0.125 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)Cc1nnc2ccccn21 ZINC000725715236 658291343 /nfs/dbraw/zinc/29/13/43/658291343.db2.gz RDKNYVPQUOFAPH-NSHDSACASA-N 0 0 319.390 0.609 10 0 DCAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H]1CCCNC1=O ZINC000050636624 658370191 /nfs/dbraw/zinc/37/01/91/658370191.db2.gz HWBOZYZMZURDJJ-ODUNQGDFSA-N 0 0 301.346 0.558 10 0 DCAERN Cn1ncc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1I ZINC000757192731 658656775 /nfs/dbraw/zinc/65/67/75/658656775.db2.gz NSQXLLSTPAVVJW-CAHLUQPWSA-N 0 0 321.118 0.412 10 0 DCAERN O=C(c1c[nH]nc1C1CCOCC1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000888076022 658707747 /nfs/dbraw/zinc/70/77/47/658707747.db2.gz OVLWCAXVASBTCB-GFCCVEGCSA-N 0 0 318.377 0.751 10 0 DCAERN Cc1cnc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)o1 ZINC000888078763 658723934 /nfs/dbraw/zinc/72/39/34/658723934.db2.gz XBCBIEQJFAIYTG-STQMWFEESA-N 0 0 319.365 0.518 10 0 DCAERN Cc1ncc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c(C2CC2)n1 ZINC000888079437 658731964 /nfs/dbraw/zinc/73/19/64/658731964.db2.gz AQXKWYVQBMSMDU-GZBFAFLISA-N 0 0 313.361 0.963 10 0 DCAERN O=c1c(Br)cncn1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724671943 658908625 /nfs/dbraw/zinc/90/86/25/658908625.db2.gz ZNZGXXZNVVHOQE-KHQFGBGNSA-N 0 0 301.140 0.810 10 0 DCAERN CC(=O)N1CC[C@@H](OC(=O)c2cnc3c(C)cccn3c2=O)C1 ZINC000180791912 659071344 /nfs/dbraw/zinc/07/13/44/659071344.db2.gz ULWXRIPKFIHSIX-GFCCVEGCSA-N 0 0 315.329 0.781 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188296686 659364222 /nfs/dbraw/zinc/36/42/22/659364222.db2.gz QHEDJHZYFOCPAC-CQSZACIVSA-N 0 0 304.394 0.910 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000194084321 659478059 /nfs/dbraw/zinc/47/80/59/659478059.db2.gz PPZLIRGJKVZZCP-VIFPVBQESA-N 0 0 322.390 0.764 10 0 DCAERN C[C@H](C(=O)O[C@H]1CCS(=O)(=O)C1)N(C)CC(F)(F)F ZINC000194912551 659521770 /nfs/dbraw/zinc/52/17/70/659521770.db2.gz KQDRXCALAYLUCO-SFYZADRCSA-N 0 0 303.302 0.599 10 0 DCAERN CCN(C(=S)NC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000048227096 659667732 /nfs/dbraw/zinc/66/77/32/659667732.db2.gz YHJQSHCRCWAHRV-GHMZBOCLSA-N 0 0 306.453 0.549 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)C2(O)CCOCC2)C12CCOCC2 ZINC000332952898 659767943 /nfs/dbraw/zinc/76/79/43/659767943.db2.gz SLXOZKHOZUGLSE-OLZOCXBDSA-N 0 0 313.394 0.618 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)n1 ZINC000182282874 665769992 /nfs/dbraw/zinc/76/99/92/665769992.db2.gz PDGZKNOJPXIZBQ-ZDUSSCGKSA-N 0 0 321.381 0.052 10 0 DCAERN Cc1noc(-c2cncn(CCC(=O)Nc3ccon3)c2=O)n1 ZINC000222848161 661644284 /nfs/dbraw/zinc/64/42/84/661644284.db2.gz PQVSBNQLVIBQAH-UHFFFAOYSA-N 0 0 316.277 0.619 10 0 DCAERN CN(CC1CC1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000726373940 661657406 /nfs/dbraw/zinc/65/74/06/661657406.db2.gz UIPLHERZBSYTKC-UHFFFAOYSA-N 0 0 312.391 0.971 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000048671649 661957131 /nfs/dbraw/zinc/95/71/31/661957131.db2.gz GIQCGFUATPIDDE-QMMMGPOBSA-N 0 0 320.802 0.281 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000159944294 662030358 /nfs/dbraw/zinc/03/03/58/662030358.db2.gz PKYXQTPOVCXEQF-ZDUSSCGKSA-N 0 0 317.345 0.859 10 0 DCAERN O=C(Nc1cccc(C(=O)OCCOCCO)c1)[C@@H]1CCCO1 ZINC000740199101 662100687 /nfs/dbraw/zinc/10/06/87/662100687.db2.gz MDFBXJZXJIQWSE-AWEZNQCLSA-N 0 0 323.345 0.970 10 0 DCAERN COc1ncc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)s1 ZINC000721817336 662114602 /nfs/dbraw/zinc/11/46/02/662114602.db2.gz NTRXCFUPJRMAGJ-QMMMGPOBSA-N 0 0 306.409 0.933 10 0 DCAERN NCc1nc(CN2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000262192286 662156484 /nfs/dbraw/zinc/15/64/84/662156484.db2.gz JTHUCDMGKNVRJF-AWEZNQCLSA-N 0 0 317.393 0.380 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000341546201 662402530 /nfs/dbraw/zinc/40/25/30/662402530.db2.gz LHEIGIOJMMISNC-LBPRGKRZSA-N 0 0 307.375 0.574 10 0 DCAERN COc1ccccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262972390 662608793 /nfs/dbraw/zinc/60/87/93/662608793.db2.gz RZPRGQZQZRAVPW-LBPRGKRZSA-N 0 0 322.361 0.553 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)OCCC(=O)N(C)C)c1 ZINC000729092479 662631765 /nfs/dbraw/zinc/63/17/65/662631765.db2.gz YKCDDOFHCKMXBT-UHFFFAOYSA-N 0 0 314.363 0.230 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729294040 662763814 /nfs/dbraw/zinc/76/38/14/662763814.db2.gz CPVPAPOLQWAAGV-SOUVJXGZSA-N 0 0 315.410 0.770 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H](C)C1 ZINC000067652586 662829177 /nfs/dbraw/zinc/82/91/77/662829177.db2.gz PLTUANHBQXAMTL-KGLIPLIRSA-N 0 0 311.426 0.567 10 0 DCAERN CCN(CC(=O)OC)Cn1nnn(C2CCOCC2)c1=S ZINC000729983042 662914910 /nfs/dbraw/zinc/91/49/10/662914910.db2.gz JNKUGTZXEFVYJS-UHFFFAOYSA-N 0 0 315.399 0.613 10 0 DCAERN CO[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cn[nH]n1 ZINC000898020235 662935756 /nfs/dbraw/zinc/93/57/56/662935756.db2.gz SBHPFDDNKVSWPY-WCQYABFASA-N 0 0 318.381 0.686 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000182951587 665939052 /nfs/dbraw/zinc/93/90/52/665939052.db2.gz GYEDQQHTSTVCJP-ZDUSSCGKSA-N 0 0 300.318 0.566 10 0 DCAERN CCc1nc(CCNC(=O)CN2CSCCSC2)no1 ZINC000900591909 663258204 /nfs/dbraw/zinc/25/82/04/663258204.db2.gz WBTKCHSCFBZTLH-UHFFFAOYSA-N 0 0 316.452 0.988 10 0 DCAERN CCc1nnc2n1CCN(C(=O)c1ncccc1N(C)C)C2 ZINC000900596224 663259027 /nfs/dbraw/zinc/25/90/27/663259027.db2.gz GJLPQUSZRLNXNA-UHFFFAOYSA-N 0 0 300.366 0.958 10 0 DCAERN Cc1nc2c(nccc2C(=O)N[C@H](C)CCS(C)(=O)=O)[nH]1 ZINC000436169045 663431839 /nfs/dbraw/zinc/43/18/39/663431839.db2.gz KPDWBKJRPFSVLA-MRVPVSSYSA-N 0 0 310.379 0.819 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc3nc(CO)[nH]c32)C1 ZINC000908097196 663733263 /nfs/dbraw/zinc/73/32/63/663733263.db2.gz PBZUZALJBBOFRK-UWVGGRQHSA-N 0 0 305.334 0.277 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)C1=O ZINC000908107499 663733902 /nfs/dbraw/zinc/73/39/02/663733902.db2.gz KPYOUZPHFRJLCV-LOUJCGABSA-N 0 0 324.421 0.776 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000908111219 663734118 /nfs/dbraw/zinc/73/41/18/663734118.db2.gz RDKHHMTXKFVEEE-BFHYXJOUSA-N 0 0 310.394 0.409 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909160702 663782787 /nfs/dbraw/zinc/78/27/87/663782787.db2.gz SXTRBWXBFUPWQK-KEYYUXOJSA-N 0 0 313.357 0.851 10 0 DCAERN O=C(Cc1cn2ccccc2n1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909160371 663782816 /nfs/dbraw/zinc/78/28/16/663782816.db2.gz ZYFLPGAVXRYXOT-WWGRRREGSA-N 0 0 311.345 0.564 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@@H]1CO ZINC000912423158 664174276 /nfs/dbraw/zinc/17/42/76/664174276.db2.gz UDZYKYHBKXQKJC-UONOGXRCSA-N 0 0 322.336 0.398 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CC(c2ccccn2)C1 ZINC000913382609 664308935 /nfs/dbraw/zinc/30/89/35/664308935.db2.gz MTVKRIFDGJXMCZ-CQSZACIVSA-N 0 0 303.362 0.381 10 0 DCAERN COc1cccc([C@H](O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000165080784 664400064 /nfs/dbraw/zinc/40/00/64/664400064.db2.gz FDKMOWAUDBHJQG-OBJOEFQTSA-N 0 0 306.362 0.889 10 0 DCAERN CCS(=O)(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223624604 664418215 /nfs/dbraw/zinc/41/82/15/664418215.db2.gz JHKRZMAWWZZXPW-UHFFFAOYSA-N 0 0 306.428 0.055 10 0 DCAERN CCn1nc(C)c2c1cnn2CCC(=O)N1CCN(C)CC1 ZINC000223872770 664425528 /nfs/dbraw/zinc/42/55/28/664425528.db2.gz DUIPHZVSXNSVFD-UHFFFAOYSA-N 0 0 304.398 0.725 10 0 DCAERN CC(C)[C@@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000223988422 664428130 /nfs/dbraw/zinc/42/81/30/664428130.db2.gz FIVSAGRNLHCUDO-NSHDSACASA-N 0 0 320.397 0.609 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000045897724 664470273 /nfs/dbraw/zinc/47/02/73/664470273.db2.gz FAXWIWCKGLHLGC-CQSZACIVSA-N 0 0 313.361 0.894 10 0 DCAERN CCc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000225356572 664473289 /nfs/dbraw/zinc/47/32/89/664473289.db2.gz SNMGLHSYWTWXGF-SNVBAGLBSA-N 0 0 316.448 0.703 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)c1ccsc1 ZINC000172407738 664621244 /nfs/dbraw/zinc/62/12/44/664621244.db2.gz YBYJXFHCZAPYFU-GFCCVEGCSA-N 0 0 305.359 0.723 10 0 DCAERN CCOCc1nc(Cl)cc(NCCS(=O)(=O)NC)n1 ZINC000231023190 664625570 /nfs/dbraw/zinc/62/55/70/664625570.db2.gz MQSASNWQDSDDNB-UHFFFAOYSA-N 0 0 308.791 0.628 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000172961371 664625941 /nfs/dbraw/zinc/62/59/41/664625941.db2.gz QPHCMYHTCUIEFS-CYBMUJFWSA-N 0 0 310.398 0.023 10 0 DCAERN CCN([C@H](C)c1cccnc1)S(=O)(=O)CCS(C)(=O)=O ZINC000173157410 664627231 /nfs/dbraw/zinc/62/72/31/664627231.db2.gz YIZKFSJMFBNGRC-LLVKDONJSA-N 0 0 320.436 0.839 10 0 DCAERN CC[C@@H](Cc1ccccc1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000174547433 664640375 /nfs/dbraw/zinc/64/03/75/664640375.db2.gz ZRQQQSDESOQXTL-LBPRGKRZSA-N 0 0 302.334 0.942 10 0 DCAERN CCOc1ccnc(N2CCN(CN3CCCC3=O)CC2)n1 ZINC000152674771 664646959 /nfs/dbraw/zinc/64/69/59/664646959.db2.gz KFFJYUNKWFAZEF-UHFFFAOYSA-N 0 0 305.382 0.577 10 0 DCAERN C[C@H]1CN(Cn2cc(Br)cn2)CCS1(=O)=O ZINC000151571559 664701753 /nfs/dbraw/zinc/70/17/53/664701753.db2.gz RUUIGNCLDYEPJN-QMMMGPOBSA-N 0 0 308.201 0.722 10 0 DCAERN CCOc1cccnc1C(=O)N(C)CCS(=O)(=O)CC ZINC000089386503 664779776 /nfs/dbraw/zinc/77/97/76/664779776.db2.gz JGBYUJUDHHLXTR-UHFFFAOYSA-N 0 0 300.380 0.987 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730637002 664798991 /nfs/dbraw/zinc/79/89/91/664798991.db2.gz AVXBVMJWBCPNLU-SNVBAGLBSA-N 0 0 319.317 0.257 10 0 DCAERN O=C(COC(=O)C1=COCCC1)NCCCN1CCCC1=O ZINC000730853160 664820915 /nfs/dbraw/zinc/82/09/15/664820915.db2.gz YMGCVMYDCSSWOS-UHFFFAOYSA-N 0 0 310.350 0.353 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000741421853 664838461 /nfs/dbraw/zinc/83/84/61/664838461.db2.gz RFEQTRHOSLNYBD-YEJXKQKISA-N 0 0 317.455 0.261 10 0 DCAERN CCN(CC(=O)OC)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000731193998 664843406 /nfs/dbraw/zinc/84/34/06/664843406.db2.gz YIQXRZBGWSSURD-UHFFFAOYSA-N 0 0 309.351 0.492 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC1CCC1 ZINC000731248965 664850762 /nfs/dbraw/zinc/85/07/62/664850762.db2.gz RAWZRUKIJOERGD-NSHDSACASA-N 0 0 300.380 0.367 10 0 DCAERN CC(C)(CNC(=S)NCc1ccccc1)NS(C)(=O)=O ZINC000731570502 664871936 /nfs/dbraw/zinc/87/19/36/664871936.db2.gz QEYZZVRBGSOFIC-UHFFFAOYSA-N 0 0 315.464 0.979 10 0 DCAERN O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000732286007 664912041 /nfs/dbraw/zinc/91/20/41/664912041.db2.gz MUNHRNDOYYXSOG-ZDUSSCGKSA-N 0 0 306.410 0.977 10 0 DCAERN CCc1cc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)[nH]n1 ZINC000732788726 664961520 /nfs/dbraw/zinc/96/15/20/664961520.db2.gz PEJVILYJIVQLRT-UHFFFAOYSA-N 0 0 322.390 0.810 10 0 DCAERN CN(C)c1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc(Cl)n1 ZINC000733142896 665076439 /nfs/dbraw/zinc/07/64/39/665076439.db2.gz XGOCUNWKEWXZMA-SECBINFHSA-N 0 0 312.757 0.127 10 0 DCAERN CN(C)c1ccc(COC(=O)[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000183461195 666048266 /nfs/dbraw/zinc/04/82/66/666048266.db2.gz GFIKDDLZDSKBIA-SNVBAGLBSA-N 0 0 307.306 0.840 10 0 DCAERN Cn1nc(C(=O)OC2CCN(C=O)CC2)cc1OC(F)F ZINC000183758912 666108272 /nfs/dbraw/zinc/10/82/72/666108272.db2.gz QTTJYZUOTINCPP-UHFFFAOYSA-N 0 0 303.265 0.799 10 0 DCAERN C[C@H](CCn1cccn1)OC(=O)CN1CCCS1(=O)=O ZINC000183879298 666134385 /nfs/dbraw/zinc/13/43/85/666134385.db2.gz GFRWVYUFTMCAPQ-LLVKDONJSA-N 0 0 301.368 0.240 10 0 DCAERN O=C1c2ccc(F)cc2C(=O)N1CN1CCO[C@@]2(CCOC2)C1 ZINC000184286422 666194181 /nfs/dbraw/zinc/19/41/81/666194181.db2.gz ZAHNOOKMJNKVHM-INIZCTEOSA-N 0 0 320.320 0.871 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(=O)[nH]n1 ZINC000186697278 666580341 /nfs/dbraw/zinc/58/03/41/666580341.db2.gz GYMCRMZGZVZARI-UHFFFAOYSA-N 0 0 303.731 0.678 10 0 DCAERN C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)CC1(CO)CC1 ZINC000186799598 666597495 /nfs/dbraw/zinc/59/74/95/666597495.db2.gz UVFGNONIMRKVAX-VIFPVBQESA-N 0 0 311.407 0.878 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCc3ccnn3C)cnc12 ZINC000185885074 666608128 /nfs/dbraw/zinc/60/81/28/666608128.db2.gz FGZDZUQALWAKGQ-UHFFFAOYSA-N 0 0 311.345 0.709 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCCCN1CCCC1=O ZINC000733423520 666642517 /nfs/dbraw/zinc/64/25/17/666642517.db2.gz LFKHJPYPUFIFFU-UHFFFAOYSA-N 0 0 320.345 0.720 10 0 DCAERN CC1(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)OCCO1 ZINC000186074514 666667082 /nfs/dbraw/zinc/66/70/82/666667082.db2.gz GCUPHCFADFFHBD-NSHDSACASA-N 0 0 312.288 0.848 10 0 DCAERN C#C[C@@H](C)NC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000186124815 666689387 /nfs/dbraw/zinc/68/93/87/666689387.db2.gz LNWVOHQEJMSRMA-ZIAGYGMSSA-N 0 0 320.437 0.783 10 0 DCAERN COC(=O)NCCC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000733544475 666758800 /nfs/dbraw/zinc/75/88/00/666758800.db2.gz OTRHSXXLVYKAOU-UHFFFAOYSA-N 0 0 309.274 0.887 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)OCCOc2ccc(F)cc2)C1=O ZINC000733566381 666766626 /nfs/dbraw/zinc/76/66/26/666766626.db2.gz GTVUWPFOHJUBEN-UHFFFAOYSA-N 0 0 324.264 0.168 10 0 DCAERN O=C(NCc1cc2c([nH]c1=O)CCC2)NC[C@H](O)C(F)(F)F ZINC000733651462 666784203 /nfs/dbraw/zinc/78/42/03/666784203.db2.gz IXDOJYOOXQKZDK-JTQLQIEISA-N 0 0 319.283 0.998 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000733882872 666823683 /nfs/dbraw/zinc/82/36/83/666823683.db2.gz QSEKLJWRBBGWFE-OAQYLSRUSA-N 0 0 314.382 0.369 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NCC[S@](=O)CC)c1=O ZINC000733883012 666823863 /nfs/dbraw/zinc/82/38/63/666823863.db2.gz SNGCFDGJPTXHPW-JOCHJYFZSA-N 0 0 323.418 0.708 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000733883320 666824160 /nfs/dbraw/zinc/82/41/60/666824160.db2.gz ZIGUCWAWSADGLI-GWNMQOMSSA-N 0 0 317.436 0.732 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000733883300 666824237 /nfs/dbraw/zinc/82/42/37/666824237.db2.gz YZAXUQMFSABEBN-OAQYLSRUSA-N 0 0 307.379 0.090 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000733961423 666832321 /nfs/dbraw/zinc/83/23/21/666832321.db2.gz SYMBLQKQRDYTNT-JOCHJYFZSA-N 0 0 323.422 0.925 10 0 DCAERN CCOCCN1CCN(CCS(=O)(=O)CC)C[C@H]1CC ZINC000118398153 666949115 /nfs/dbraw/zinc/94/91/15/666949115.db2.gz DKWSNZYDWIOKJN-CQSZACIVSA-N 0 0 306.472 0.854 10 0 DCAERN C[S@](=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000735103280 666952875 /nfs/dbraw/zinc/95/28/75/666952875.db2.gz IUPOCZUDYJOTDW-QKVFXAPYSA-N 0 0 309.391 0.470 10 0 DCAERN C[S@](=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000735103278 666952953 /nfs/dbraw/zinc/95/29/53/666952953.db2.gz IUPOCZUDYJOTDW-GTJPDFRWSA-N 0 0 309.391 0.470 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC(NC(=O)C(C)C)CC1 ZINC000735111683 666954794 /nfs/dbraw/zinc/95/47/94/666954794.db2.gz RZWOUXRQVVTHPA-NRFANRHFSA-N 0 0 317.455 0.701 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C)ccc1OC ZINC000735197925 666966410 /nfs/dbraw/zinc/96/64/10/666966410.db2.gz CGYSGBIOYBDKSP-NRFANRHFSA-N 0 0 312.391 0.827 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000735200678 666968440 /nfs/dbraw/zinc/96/84/40/666968440.db2.gz RINQHEBHGJOUKM-NRFANRHFSA-N 0 0 316.354 0.658 10 0 DCAERN CCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702811297 666998795 /nfs/dbraw/zinc/99/87/95/666998795.db2.gz GBGLNJFFAFMXHB-WDEREUQCSA-N 0 0 302.371 0.367 10 0 DCAERN CC(C)OCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811437 666998933 /nfs/dbraw/zinc/99/89/33/666998933.db2.gz AICRGXMPBRAPAU-NEPJUHHUSA-N 0 0 316.398 0.755 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNCc2csnn2)[C@H](O)C1 ZINC000702838548 667002169 /nfs/dbraw/zinc/00/21/69/667002169.db2.gz LYAKIBOVJFRIJJ-MWLCHTKSSA-N 0 0 314.411 0.856 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000735705448 667022872 /nfs/dbraw/zinc/02/28/72/667022872.db2.gz KGEHDSJOHCFPDA-UWVGGRQHSA-N 0 0 322.283 0.704 10 0 DCAERN COC(=O)c1cnc(N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000702964664 667028367 /nfs/dbraw/zinc/02/83/67/667028367.db2.gz SGOMBOXCUPMVRV-SSDOTTSWSA-N 0 0 305.381 0.058 10 0 DCAERN Cc1c(C)c(N2CC[C@H](NS(C)(=O)=O)C2)nnc1Cl ZINC000703164308 667064017 /nfs/dbraw/zinc/06/40/17/667064017.db2.gz VMDWHCIOYDAQRJ-VIFPVBQESA-N 0 0 304.803 0.875 10 0 DCAERN CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000703504723 667092960 /nfs/dbraw/zinc/09/29/60/667092960.db2.gz LYJNKKDNRKKKGH-KNVOCYPGSA-N 0 0 321.761 0.759 10 0 DCAERN C[C@@]1(CO)C[C@@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000704158001 667192167 /nfs/dbraw/zinc/19/21/67/667192167.db2.gz FWIHAYXXUMILJQ-OCCSQVGLSA-N 0 0 305.440 0.552 10 0 DCAERN CC(C)c1nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c(=S)n1C ZINC000120202196 667279726 /nfs/dbraw/zinc/27/97/26/667279726.db2.gz VSUZVKDVYMXFSO-NXEZZACHSA-N 0 0 313.427 0.607 10 0 DCAERN C[C@@H]1CN(Cn2nc(N(C)C)sc2=S)C[C@@H](C(N)=O)O1 ZINC000120214895 667280731 /nfs/dbraw/zinc/28/07/31/667280731.db2.gz LPVXZKJILAJEJL-SFYZADRCSA-N 0 0 317.440 0.272 10 0 DCAERN C[C@@H]1CN(Cn2nc(C3CC3)n(C)c2=S)C[C@H](C(N)=O)O1 ZINC000120249218 667288529 /nfs/dbraw/zinc/28/85/29/667288529.db2.gz AJMOMCVZBZVHCL-PSASIEDQSA-N 0 0 311.411 0.361 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000015579319 667318042 /nfs/dbraw/zinc/31/80/42/667318042.db2.gz WBYQJACFABZERY-GFCCVEGCSA-N 0 0 324.402 0.896 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(Cl)nc1 ZINC000708235757 667442334 /nfs/dbraw/zinc/44/23/34/667442334.db2.gz UKZCRWIYCLKQKC-UHFFFAOYSA-N 0 0 305.787 0.793 10 0 DCAERN O=C(c1coc(Br)c1)N1C[C@H](CO)[C@H](CO)C1 ZINC000707817155 667441860 /nfs/dbraw/zinc/44/18/60/667441860.db2.gz QAFDGUXZBIXQMO-DTORHVGOSA-N 0 0 304.140 0.715 10 0 DCAERN CC1(C)CC(=O)NCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000708099741 667442029 /nfs/dbraw/zinc/44/20/29/667442029.db2.gz IXHDQAZNAGIICQ-SNVBAGLBSA-N 0 0 302.396 0.081 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)C2CCC(=O)CC2)C[C@@H]1C ZINC000708178799 667442212 /nfs/dbraw/zinc/44/22/12/667442212.db2.gz LDKZXQMBVLJKLT-JOYOIKCWSA-N 0 0 303.380 0.569 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221560 667442353 /nfs/dbraw/zinc/44/23/53/667442353.db2.gz ODBUWRHDYPGGBE-VHSXEESVSA-N 0 0 302.396 0.414 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000711101278 667449065 /nfs/dbraw/zinc/44/90/65/667449065.db2.gz VDFXHSBZLZEQII-YFKPBYRVSA-N 0 0 312.178 0.883 10 0 DCAERN COc1cccc([C@@H]2CN(Cn3ncn(C)c3=O)CCO2)c1 ZINC000133811938 667483044 /nfs/dbraw/zinc/48/30/44/667483044.db2.gz SBJLAWSURXZORZ-AWEZNQCLSA-N 0 0 304.350 0.621 10 0 DCAERN C[S@](=O)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000134729163 667551010 /nfs/dbraw/zinc/55/10/10/667551010.db2.gz UGAKWQQLHKVQKM-GOSISDBHSA-N 0 0 321.811 0.645 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccnc(Cl)c1 ZINC000187232526 667628600 /nfs/dbraw/zinc/62/86/00/667628600.db2.gz ZKFIFMBWJCMDBH-WUNPDAOYSA-N 0 0 310.737 0.883 10 0 DCAERN CCOC(=O)[C@H]1CCCN(Cn2nc(C(=O)OC)ccc2=O)C1 ZINC000739831213 667720625 /nfs/dbraw/zinc/72/06/25/667720625.db2.gz LNAWBJZGQCAQMU-NSHDSACASA-N 0 0 323.349 0.263 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ncnc4[nH]ccc43)C[C@H]21 ZINC000886035260 667725787 /nfs/dbraw/zinc/72/57/87/667725787.db2.gz NZTOLERIFBCAPP-OLZOCXBDSA-N 0 0 301.350 0.784 10 0 DCAERN CC(=O)N1C[C@H](NC(=O)Cn2cccn2)CC[C@H]1C(F)(F)F ZINC000886031779 667725981 /nfs/dbraw/zinc/72/59/81/667725981.db2.gz WPANCUVHHADQBV-MNOVXSKESA-N 0 0 318.299 0.941 10 0 DCAERN CO[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1c1cn(C)nn1 ZINC000886074578 667728954 /nfs/dbraw/zinc/72/89/54/667728954.db2.gz SCQWHIRUZDTUJQ-CMPLNLGQSA-N 0 0 306.370 0.936 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CC(=O)N(CC3CC3)C2)C1=O ZINC000886077855 667729141 /nfs/dbraw/zinc/72/91/41/667729141.db2.gz QITHCDDYSJPGQJ-CYBMUJFWSA-N 0 0 323.393 0.052 10 0 DCAERN CCn1ccnc(N2CCC[C@](O)(Cc3nc(C)no3)C2)c1=O ZINC000886079355 667729560 /nfs/dbraw/zinc/72/95/60/667729560.db2.gz URAKICGSLGJYFK-HNNXBMFYSA-N 0 0 319.365 0.529 10 0 DCAERN COc1ncc(Cl)c(N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000886080337 667729697 /nfs/dbraw/zinc/72/96/97/667729697.db2.gz MQVBCVRXVGXIKK-GZMMTYOYSA-N 0 0 324.772 0.886 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)OCC(=O)Nc1ccccc1 ZINC000121357763 667730984 /nfs/dbraw/zinc/73/09/84/667730984.db2.gz PMUYNAJRPNWLSD-UHFFFAOYSA-N 0 0 301.302 0.920 10 0 DCAERN Cc1noc(C[C@]2(O)CCCN(C(=O)Cc3cccnc3)C2)n1 ZINC000886097174 667732513 /nfs/dbraw/zinc/73/25/13/667732513.db2.gz YRJBWRSJEQQMCD-MRXNPFEDSA-N 0 0 316.361 0.912 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1O ZINC000717385398 667744198 /nfs/dbraw/zinc/74/41/98/667744198.db2.gz MNUQCVXRPSNKHU-LHLIQPBNSA-N 0 0 304.140 0.626 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](c1ccco1)N(C)C ZINC000741074435 667758091 /nfs/dbraw/zinc/75/80/91/667758091.db2.gz MATRYJWVFDDZAT-GIPWTMENSA-N 0 0 301.412 0.950 10 0 DCAERN C[S@](=O)CCN1CCN(C(=O)Cc2cccs2)CC1 ZINC000742182068 667782435 /nfs/dbraw/zinc/78/24/35/667782435.db2.gz ISKRAKXBEFNQMC-IBGZPJMESA-N 0 0 300.449 0.813 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)C2=COCCC2)C(=O)N1c1cnn(C)c1 ZINC000742914748 667800883 /nfs/dbraw/zinc/80/08/83/667800883.db2.gz ZJACFPOCLQRHAB-ZWNOBZJWSA-N 0 0 304.350 0.724 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccnc2ccnn21 ZINC000886989343 667827459 /nfs/dbraw/zinc/82/74/59/667827459.db2.gz XMBRKHURPYUVFI-VXGBXAGGSA-N 0 0 302.334 0.389 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](CO)C1CCC1 ZINC000717596202 667869245 /nfs/dbraw/zinc/86/92/45/667869245.db2.gz TWFAIWQTYHRAKF-MNOVXSKESA-N 0 0 307.437 0.184 10 0 DCAERN C[C@]1(CO)CN(S(=O)(=O)c2ccns2)C[C@@]1(C)CO ZINC000717676130 667874167 /nfs/dbraw/zinc/87/41/67/667874167.db2.gz XPUAZLPIPRBPCG-PHIMTYICSA-N 0 0 306.409 0.145 10 0 DCAERN O=C1CC[C@@H]2CN(S(=O)(=O)c3ccns3)CC[C@@H]2N1 ZINC000717687090 667875820 /nfs/dbraw/zinc/87/58/20/667875820.db2.gz FQXCKHQZFNVOEW-BDAKNGLRSA-N 0 0 301.393 0.432 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000300569420 667887731 /nfs/dbraw/zinc/88/77/31/667887731.db2.gz JQGXNNVYKTVPSL-AGIUHOORSA-N 0 0 302.440 0.848 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccncc2)N1Cc1ccccc1 ZINC000828126446 668139760 /nfs/dbraw/zinc/13/97/60/668139760.db2.gz UZQSQDAXHUDKRQ-JKSUJKDBSA-N 0 0 324.384 0.961 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)OCCN2CCSCC2)C1 ZINC000124904837 668160336 /nfs/dbraw/zinc/16/03/36/668160336.db2.gz YFWOFGHYKNJCGC-LBPRGKRZSA-N 0 0 300.424 0.837 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187299926 668253709 /nfs/dbraw/zinc/25/37/09/668253709.db2.gz CUJOBSKAYVOENP-VIFPVBQESA-N 0 0 315.464 0.808 10 0 DCAERN CCC(CC)N(CCOC)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126584290 668627905 /nfs/dbraw/zinc/62/79/05/668627905.db2.gz LRMJRHYJAUBSOK-GFCCVEGCSA-N 0 0 320.455 0.427 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2[nH]ccc2c1 ZINC000126660226 668639954 /nfs/dbraw/zinc/63/99/54/668639954.db2.gz RJIBJCPWESFCSP-GFCCVEGCSA-N 0 0 307.375 0.883 10 0 DCAERN CNC(=O)[C@H]1C[N@H+](C/C(C)=C\C(=O)OC)C[C@@H]1c1cnn(C)c1 ZINC000930431770 669016104 /nfs/dbraw/zinc/01/61/04/669016104.db2.gz HUSWGKCMVNVCFD-QEUAEHOYSA-N 0 0 320.393 0.301 10 0 DCAERN C[C@@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)[C@@H]1CCCO1 ZINC000128245031 669171629 /nfs/dbraw/zinc/17/16/29/669171629.db2.gz VVZJJCHGRGCDAC-PWSUYJOCSA-N 0 0 304.412 0.773 10 0 DCAERN CCn1cc(C(=O)N2CCC(N(C)c3cccnn3)CC2)nn1 ZINC000932080881 669311227 /nfs/dbraw/zinc/31/12/27/669311227.db2.gz NXNWEXQWBPPPEB-UHFFFAOYSA-N 0 0 315.381 0.829 10 0 DCAERN CC[C@H]1CN(Cn2cc(C(=O)OC)nn2)CCN1CC(F)F ZINC000129133845 669360459 /nfs/dbraw/zinc/36/04/59/669360459.db2.gz AXOOEVIAZJLQQU-JTQLQIEISA-N 0 0 317.340 0.684 10 0 DCAERN CCCCC[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)OC ZINC000132260272 669711742 /nfs/dbraw/zinc/71/17/42/669711742.db2.gz RXJGFALHYCGSPQ-LLVKDONJSA-N 0 0 309.366 0.976 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000156453992 669840588 /nfs/dbraw/zinc/84/05/88/669840588.db2.gz QIJUNDMHDVLXDY-ZWNOBZJWSA-N 0 0 314.432 0.993 10 0 DCAERN CC(=O)N(C)CC(=O)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000047739373 669931461 /nfs/dbraw/zinc/93/14/61/669931461.db2.gz GCDKBFGIMRBXEQ-UHFFFAOYSA-N 0 0 300.261 0.925 10 0 DCAERN CC1(CNC(=O)CNC(=O)Cc2ccccc2)OCCCO1 ZINC000191143189 669983321 /nfs/dbraw/zinc/98/33/21/669983321.db2.gz YXZDQLYBAIMFLZ-UHFFFAOYSA-N 0 0 306.362 0.615 10 0 DCAERN O=c1n2ccccc2nn1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000191423416 670021276 /nfs/dbraw/zinc/02/12/76/670021276.db2.gz IXZWCILSNLZLLW-NSHDSACASA-N 0 0 302.256 0.453 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cn2nnc(-c3ccco3)n2)CC1 ZINC000075518209 670021676 /nfs/dbraw/zinc/02/16/76/670021676.db2.gz JQLGWWXFZOAOKL-UHFFFAOYSA-N 0 0 318.337 0.014 10 0 DCAERN CCN1C[C@@H](NCc2cn(C)nc2Br)CC1=O ZINC000712468711 670149693 /nfs/dbraw/zinc/14/96/93/670149693.db2.gz BUJBIFWHUVERNX-VIFPVBQESA-N 0 0 301.188 0.893 10 0 DCAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)nn1 ZINC000712700154 670150763 /nfs/dbraw/zinc/15/07/63/670150763.db2.gz JEQSXFFCNIEXGM-JTQLQIEISA-N 0 0 301.368 0.651 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC000713285262 670154962 /nfs/dbraw/zinc/15/49/62/670154962.db2.gz LXIDQKSVCNDNMY-MRVPVSSYSA-N 0 0 304.215 0.413 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OCCNc2cccnn2)n1 ZINC000192434089 670164147 /nfs/dbraw/zinc/16/41/47/670164147.db2.gz SHVOXMDTEVFQRJ-UHFFFAOYSA-N 0 0 306.282 0.870 10 0 DCAERN O=C(C[C@H]1CCCOC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000192466393 670171776 /nfs/dbraw/zinc/17/17/76/670171776.db2.gz RILOBUFYDJIUBZ-HUUCEWRRSA-N 0 0 324.421 0.901 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COc2ccccc2Cl)CC1 ZINC000713942699 670171929 /nfs/dbraw/zinc/17/19/29/670171929.db2.gz PXXUAALYENKIJB-UHFFFAOYSA-N 0 0 318.782 0.656 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@H]2CSc3ccccc32)CC1 ZINC000713990493 670173456 /nfs/dbraw/zinc/17/34/56/670173456.db2.gz VKQWTUJDRCEURS-JTQLQIEISA-N 0 0 312.416 0.813 10 0 DCAERN C[C@@H]1CO[C@H](CO)CN1Cc1cn(C)nc1Br ZINC000714076985 670175350 /nfs/dbraw/zinc/17/53/50/670175350.db2.gz XWOXPWYEBLDUMP-SCZZXKLOSA-N 0 0 304.188 0.764 10 0 DCAERN Cc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000714302181 670183240 /nfs/dbraw/zinc/18/32/40/670183240.db2.gz MGLSSIORJFBCPP-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN COc1ccc(C(=O)NCC(=O)OCc2nccn2C)cc1 ZINC000192775552 670187193 /nfs/dbraw/zinc/18/71/93/670187193.db2.gz XSZSJLNVACMCFH-UHFFFAOYSA-N 0 0 303.318 0.902 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000714471366 670189550 /nfs/dbraw/zinc/18/95/50/670189550.db2.gz DBIUNUBJEBYUEI-UHFFFAOYSA-N 0 0 323.729 0.388 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCCC2CC2)C1 ZINC000714973095 670200092 /nfs/dbraw/zinc/20/00/92/670200092.db2.gz CANQRAVJVQYABB-NSHDSACASA-N 0 0 310.441 0.259 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1cccc(Br)n1 ZINC000716805422 670273179 /nfs/dbraw/zinc/27/31/79/670273179.db2.gz VNFPPYHEGJRRLJ-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN C#CCOC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000077475685 670419438 /nfs/dbraw/zinc/41/94/38/670419438.db2.gz MWZYWTVLIWWWDM-OAHLLOKOSA-N 0 0 312.325 0.639 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCO[C@H](C(F)F)C1 ZINC000194282812 670420835 /nfs/dbraw/zinc/42/08/35/670420835.db2.gz GARKEZAJDIOFAW-BDAKNGLRSA-N 0 0 301.297 0.789 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)CN(c2ccccc2)C1=O ZINC000190704774 670482133 /nfs/dbraw/zinc/48/21/33/670482133.db2.gz KLNFZYNCPUSUDZ-GFCCVEGCSA-N 0 0 316.361 0.623 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000190704959 670482247 /nfs/dbraw/zinc/48/22/47/670482247.db2.gz WPYMYSPUHSPFSD-SNVBAGLBSA-N 0 0 320.393 0.265 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC3(CC2)OCCO3)no1 ZINC000113751053 670764323 /nfs/dbraw/zinc/76/43/23/670764323.db2.gz LOEIJGHNONMJMK-UHFFFAOYSA-N 0 0 302.352 0.652 10 0 DCAERN CCCN1C(=O)C(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116258766 671030006 /nfs/dbraw/zinc/03/00/06/671030006.db2.gz NFOFJETUORRUSC-LLVKDONJSA-N 0 0 319.365 0.368 10 0 DCAERN C[C@H](CCCCO)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000398731838 1158130513 /nfs/dbraw/zinc/13/05/13/1158130513.db2.gz MRIRVCOJOROSHA-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN COC[C@@H](C)OC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000586474092 1158179529 /nfs/dbraw/zinc/17/95/29/1158179529.db2.gz FMFPVKIOFSKHFY-SNVBAGLBSA-N 0 0 316.379 0.638 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1COC(C)(C)C1 ZINC000396576604 685270242 /nfs/dbraw/zinc/27/02/42/685270242.db2.gz GAGBOMQOHWSZDO-LURJTMIESA-N 0 0 303.160 0.875 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@H](C3OCCO3)C2)no1 ZINC000719051057 685308134 /nfs/dbraw/zinc/30/81/34/685308134.db2.gz PEOWDLREZWVWHR-SNVBAGLBSA-N 0 0 302.352 0.508 10 0 DCAERN CC[C@H](NC(C)=O)C(=O)NCc1cn(C)nc1Br ZINC000720063068 685311694 /nfs/dbraw/zinc/31/16/94/685311694.db2.gz QISUNPVEGSODGU-VIFPVBQESA-N 0 0 317.187 0.714 10 0 DCAERN Cn1cc(CNS(=O)(=O)N2CCCC2)c(Br)n1 ZINC000720095192 685312602 /nfs/dbraw/zinc/31/26/02/685312602.db2.gz AWGLJPVYZYGDTC-UHFFFAOYSA-N 0 0 323.216 0.613 10 0 DCAERN CC(C)(NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)[O-] ZINC000720479226 685313974 /nfs/dbraw/zinc/31/39/74/685313974.db2.gz BHLPLJJVXRMIHE-UWVGGRQHSA-N 0 0 301.412 0.729 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cn(C)nn1 ZINC000720548566 685314894 /nfs/dbraw/zinc/31/48/94/685314894.db2.gz RYUXYXZKEATGPD-ZCFIWIBFSA-N 0 0 304.763 0.242 10 0 DCAERN CCCC[C@H](NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)OC ZINC000720869065 685316135 /nfs/dbraw/zinc/31/61/35/685316135.db2.gz DUTBYMVVOAIIJE-WCQYABFASA-N 0 0 307.412 0.512 10 0 DCAERN COc1cc(C)nc(NC[C@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721219132 685317947 /nfs/dbraw/zinc/31/79/47/685317947.db2.gz LXOFKOIVBRNELD-GFCCVEGCSA-N 0 0 301.368 0.409 10 0 DCAERN Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CNOC1 ZINC000722499729 685319611 /nfs/dbraw/zinc/31/96/11/685319611.db2.gz CDEPWBAWQGMNCZ-SECBINFHSA-N 0 0 321.196 0.939 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccc2c(c1)OCCCO2 ZINC000722500223 685319639 /nfs/dbraw/zinc/31/96/39/685319639.db2.gz IILHTNMAHZWRIB-VIFPVBQESA-N 0 0 300.336 0.030 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000055415812 685062228 /nfs/dbraw/zinc/06/22/28/685062228.db2.gz JWTOXDWHQJDVQC-UHFFFAOYSA-N 0 0 314.345 0.389 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC000083109435 685084750 /nfs/dbraw/zinc/08/47/50/685084750.db2.gz UXCBFPGKYWPLCB-INIZCTEOSA-N 0 0 319.409 0.441 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CC[C@H](N2CCOCC2)C1 ZINC000190266170 685152864 /nfs/dbraw/zinc/15/28/64/685152864.db2.gz JWWZKMVWNMSJDD-ZDUSSCGKSA-N 0 0 302.378 0.401 10 0 DCAERN CC(C)C[C@H]1CC(=O)N(CN2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000245442705 685156938 /nfs/dbraw/zinc/15/69/38/685156938.db2.gz IFDXJNUVSUSACS-OLZOCXBDSA-N 0 0 302.440 0.957 10 0 DCAERN Cn1ncc2c1nnn(CN1CC[C@@]3(O)CCCC[C@H]3C1)c2=O ZINC000247149893 685170373 /nfs/dbraw/zinc/17/03/73/685170373.db2.gz SUYXYLHZAVPBRY-NHYWBVRUSA-N 0 0 318.381 0.110 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1 ZINC000248450509 685175522 /nfs/dbraw/zinc/17/55/22/685175522.db2.gz YAEOWTFONRBBOV-AAEUAGOBSA-N 0 0 306.366 0.536 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@]2(CCOC2)C1 ZINC000248907984 685177644 /nfs/dbraw/zinc/17/76/44/685177644.db2.gz BLSQJZTUMJREGP-XJKCOSOUSA-N 0 0 306.362 0.386 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000249364303 685179062 /nfs/dbraw/zinc/17/90/62/685179062.db2.gz OERSETXTKLKARQ-LSDHHAIUSA-N 0 0 322.409 0.406 10 0 DCAERN Cn1ncc(C(=O)N2CCOC[C@@H]2CO)c1Br ZINC000379219057 685235571 /nfs/dbraw/zinc/23/55/71/685235571.db2.gz RTEFWYCQRCIMGG-ZETCQYMHSA-N 0 0 304.144 0.016 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000384886182 685245061 /nfs/dbraw/zinc/24/50/61/685245061.db2.gz JSSHOSFTFKXGIC-GMTAPVOTSA-N 0 0 307.437 0.279 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2c(Br)nnn2C)C1 ZINC000385207931 685246370 /nfs/dbraw/zinc/24/63/70/685246370.db2.gz XANXUHZFHUIMPZ-LURJTMIESA-N 0 0 317.143 0.213 10 0 DCAERN C[C@@H](O)[C@@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000387599903 685252521 /nfs/dbraw/zinc/25/25/21/685252521.db2.gz VPMCERBBLBTYHD-LDYMZIIASA-N 0 0 300.336 0.545 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)NCC1CCC(O)CC1 ZINC000227613500 1157522027 /nfs/dbraw/zinc/52/20/27/1157522027.db2.gz KWUVLWDEMZDILE-ILDUYXDCSA-N 0 0 303.428 0.444 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)c2cc(F)c(F)cc2N)CC1 ZINC000393679656 1157827041 /nfs/dbraw/zinc/82/70/41/1157827041.db2.gz TYVHFFKIFLYWLS-UHFFFAOYSA-N 0 0 304.318 0.854 10 0 DCAERN COc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 ZINC000040217168 1157993202 /nfs/dbraw/zinc/99/32/02/1157993202.db2.gz CQHZBVBCJMWQLA-UHFFFAOYSA-N 0 0 314.367 0.048 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2ccoc2)CC1)C(C)C ZINC000025233520 1171409698 /nfs/dbraw/zinc/40/96/98/1171409698.db2.gz NRHGRUGUOLUPEZ-CQSZACIVSA-N 0 0 321.377 0.725 10 0 DCAERN CC(=O)NCCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000027672011 1171413364 /nfs/dbraw/zinc/41/33/64/1171413364.db2.gz DGPTWRRAMSMUFA-UHFFFAOYSA-N 0 0 303.322 0.317 10 0 DCAERN CC(=O)N(CCCNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000048313199 1171652824 /nfs/dbraw/zinc/65/28/24/1171652824.db2.gz KIRPFRXIRLEFOI-LBPRGKRZSA-N 0 0 304.412 0.184 10 0 DCAERN COc1cccc(CN(C)S(=O)(=O)c2cnc(N)nc2)c1 ZINC000050692770 1171735358 /nfs/dbraw/zinc/73/53/58/1171735358.db2.gz WBEPCTARGHZEFL-UHFFFAOYSA-N 0 0 308.363 0.888 10 0 DCAERN COc1ccccc1CN(C)S(=O)(=O)c1cnc(N)nc1 ZINC000050672631 1171735614 /nfs/dbraw/zinc/73/56/14/1171735614.db2.gz KEULXUZFYIZYHC-UHFFFAOYSA-N 0 0 308.363 0.888 10 0 DCAERN COCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000071120595 1173821942 /nfs/dbraw/zinc/82/19/42/1173821942.db2.gz OXSZNBWFIRDZFZ-KFWWJZLASA-N 0 0 324.421 0.945 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC000089756311 1175345357 /nfs/dbraw/zinc/34/53/57/1175345357.db2.gz GHILEGZMGGSQEX-VIFPVBQESA-N 0 0 316.766 0.732 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(C(=O)CCc2ccnn2C)C1 ZINC000119625680 1176828891 /nfs/dbraw/zinc/82/88/91/1176828891.db2.gz LOCJTVIFTHGAEZ-LBPRGKRZSA-N 0 0 302.382 0.887 10 0 DCAERN Cn1nccc1S(=O)(=O)N1Cc2ccccc2NC(=O)C1 ZINC000124239592 1177116889 /nfs/dbraw/zinc/11/68/89/1177116889.db2.gz XFWPUGVVWCAJKQ-UHFFFAOYSA-N 0 0 306.347 0.563 10 0 DCAERN Nc1ccc(Cl)cc1C(=O)NCCC(=O)N1CCOCC1 ZINC000134449005 1177531981 /nfs/dbraw/zinc/53/19/81/1177531981.db2.gz RYSDAXUGEOKJDN-UHFFFAOYSA-N 0 0 311.769 0.901 10 0 DCAERN CCOc1n[nH]c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000228770821 1180399304 /nfs/dbraw/zinc/39/93/04/1180399304.db2.gz XMYRRYUSKASMGK-JVXZTZIISA-N 0 0 311.367 0.596 10 0 DCAERN O=C(CCn1cccn1)NCCNC(=O)c1ccccc1O ZINC000151812970 1180544863 /nfs/dbraw/zinc/54/48/63/1180544863.db2.gz NEMQJIUUCBXWQD-UHFFFAOYSA-N 0 0 302.334 0.525 10 0 DCAERN O=C(CNC(=O)C1CCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000243794017 1182709629 /nfs/dbraw/zinc/70/96/29/1182709629.db2.gz QMKQBFXFTPTWSH-UHFFFAOYSA-N 0 0 319.361 0.480 10 0 DCAERN CCN(C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000171233457 1183715849 /nfs/dbraw/zinc/71/58/49/1183715849.db2.gz VFALNVGIICXGFY-HNNXBMFYSA-N 0 0 304.350 0.903 10 0 DCAERN CN1CC[C@H](NC(=O)NCc2ccnc(OCC3CC3)c2)C1=O ZINC000172378543 1183843130 /nfs/dbraw/zinc/84/31/30/1183843130.db2.gz PPAIUIKXGUBDAO-ZDUSSCGKSA-N 0 0 318.377 0.900 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000177884951 1184325862 /nfs/dbraw/zinc/32/58/62/1184325862.db2.gz URYMYIORAMGKJF-OAHLLOKOSA-N 0 0 302.334 0.843 10 0 DCAERN Cn1nccc1CCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000186411202 1187380765 /nfs/dbraw/zinc/38/07/65/1187380765.db2.gz YWTFGKUOZKTFTF-UHFFFAOYSA-N 0 0 308.363 0.040 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(N)=O)C1 ZINC000188602447 1187758067 /nfs/dbraw/zinc/75/80/67/1187758067.db2.gz OOZUPMKFOBAFSX-GWCFXTLKSA-N 0 0 301.350 0.544 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cc2ccccc2C(N)=O)CC1 ZINC000192040083 1187960991 /nfs/dbraw/zinc/96/09/91/1187960991.db2.gz FIFNDNQHBBQWNY-UHFFFAOYSA-N 0 0 317.389 0.703 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21 ZINC000192495666 1187961469 /nfs/dbraw/zinc/96/14/69/1187961469.db2.gz OILQNZKQHHKEAB-ZDUSSCGKSA-N 0 0 301.350 0.558 10 0 DCAERN COC(=O)NCCNC(=O)c1ccncc1Br ZINC000308471886 1190387040 /nfs/dbraw/zinc/38/70/40/1190387040.db2.gz KUCNSTIWXGYEFW-UHFFFAOYSA-N 0 0 302.128 0.930 10 0 DCAERN CCNC(=O)NCCNS(=O)(=O)c1ccc(N)cc1F ZINC000312855147 1190394902 /nfs/dbraw/zinc/39/49/02/1190394902.db2.gz QYDOLNIRFKNEIE-UHFFFAOYSA-N 0 0 304.347 0.005 10 0 DCAERN CN1C[C@H](NC(=O)c2cc(Br)ccc2N)C(=O)N1 ZINC000393917663 1190702187 /nfs/dbraw/zinc/70/21/87/1190702187.db2.gz YFILHQOJHRWTSV-VIFPVBQESA-N 0 0 313.155 0.106 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H]([C@H](C)O)C1 ZINC000588411504 747254460 /nfs/dbraw/zinc/25/44/60/747254460.db2.gz WWMICVMRZGSMOK-MBNYWOFBSA-N 0 0 306.410 0.917 10 0 DCAERN C/C(=C/C(C)(C)C)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000588499767 747364709 /nfs/dbraw/zinc/36/47/09/747364709.db2.gz QFOAMZJRIOSLRH-QXMHVHEDSA-N 0 0 302.440 0.825 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)[C@@H](C)CO1 ZINC000246501984 771638664 /nfs/dbraw/zinc/63/86/64/771638664.db2.gz XVKJFWYPEAXCAF-NWDGAFQWSA-N 0 0 306.428 0.747 10 0 DCAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc(F)c1N ZINC000090926144 773740352 /nfs/dbraw/zinc/74/03/52/773740352.db2.gz QXTNKJSAHJXZPS-SNVBAGLBSA-N 0 0 318.395 0.968 10 0 DCAERN CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cccc(F)c1N ZINC000090926145 773740718 /nfs/dbraw/zinc/74/07/18/773740718.db2.gz QXTNKJSAHJXZPS-JTQLQIEISA-N 0 0 318.395 0.968 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)Cn1nnc2ccccc21 ZINC000180329815 774012292 /nfs/dbraw/zinc/01/22/92/774012292.db2.gz DTHAQACELKFYQW-UHFFFAOYSA-N 0 0 303.366 0.935 10 0 DCAERN COC(=O)c1sccc1CN[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400177900 774022817 /nfs/dbraw/zinc/02/28/17/774022817.db2.gz FPNPCQJSZIDMCP-JTQLQIEISA-N 0 0 318.420 0.658 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccnc1F ZINC000401789389 774067013 /nfs/dbraw/zinc/06/70/13/774067013.db2.gz MQNSOHVYKGAXAM-SECBINFHSA-N 0 0 302.327 0.937 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2F)C[C@@H](C)S1(=O)=O ZINC000401873830 774069408 /nfs/dbraw/zinc/06/94/08/774069408.db2.gz JKTUHSIXVUZSRE-RKDXNWHRSA-N 0 0 322.383 0.417 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCC=C(Br)C2)cn1 ZINC000404415105 774131698 /nfs/dbraw/zinc/13/16/98/774131698.db2.gz YITVEPUDKFUNNA-UHFFFAOYSA-N 0 0 319.184 0.562 10 0 DCAERN CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1C ZINC000397363859 939127092 /nfs/dbraw/zinc/12/70/92/939127092.db2.gz GTZNYMAGKURIIE-UHFFFAOYSA-N 0 0 306.775 0.251 10 0 DCAERN O=C(NCCn1cnccc1=O)c1cc(=O)c2ccccc2o1 ZINC000585238030 939713191 /nfs/dbraw/zinc/71/31/91/939713191.db2.gz FRFXIMSXJQEWCB-UHFFFAOYSA-N 0 0 311.297 0.780 10 0 DCAERN CC(=O)N1CCC(CN2C(=O)N[C@@]3(CCSC3)C2=O)CC1 ZINC000348370327 945787393 /nfs/dbraw/zinc/78/73/93/945787393.db2.gz CQYJLMNCQFHGNA-CQSZACIVSA-N 0 0 311.407 0.672 10 0 DCAERN COCCOC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000383758622 948746932 /nfs/dbraw/zinc/74/69/32/948746932.db2.gz KEMMLGGTLRFAIJ-VIFPVBQESA-N 0 0 302.352 0.768 10 0 DCAERN CS(=O)(=O)CC1(CC[NH2+]Cc2cc(C(=O)[O-])no2)CC1 ZINC000692843096 976551076 /nfs/dbraw/zinc/55/10/76/976551076.db2.gz TYANYCALRBJHPI-UHFFFAOYSA-N 0 0 302.352 0.677 10 0 DCAERN CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694208661 976680899 /nfs/dbraw/zinc/68/08/99/976680899.db2.gz IZCQUCXQSSHNOW-UHFFFAOYSA-N 0 0 304.368 0.988 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000076632063 185027865 /nfs/dbraw/zinc/02/78/65/185027865.db2.gz FFXARUFGOGPFQZ-NSHDSACASA-N 0 0 322.390 0.426 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000181286764 199276071 /nfs/dbraw/zinc/27/60/71/199276071.db2.gz RUWMSLYQTPOIGR-SNVBAGLBSA-N 0 0 323.378 0.365 10 0 DCAERN CCc1cc(NCCCN2CCS(=O)(=O)CC2)nc(C)n1 ZINC000302119650 529555003 /nfs/dbraw/zinc/55/50/03/529555003.db2.gz XMRGBLXZTPXICW-UHFFFAOYSA-N 0 0 312.439 0.880 10 0 DCAERN C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000088499469 185253997 /nfs/dbraw/zinc/25/39/97/185253997.db2.gz HHPCMOMDIVMUGK-CHWSQXEVSA-N 0 0 307.398 0.906 10 0 DCAERN CCC(C)(CC)NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088589583 185258914 /nfs/dbraw/zinc/25/89/14/185258914.db2.gz DVGIITDGQGBDGG-UHFFFAOYSA-N 0 0 302.400 0.393 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCCc2nc(C)no2)c1 ZINC000088777779 185265288 /nfs/dbraw/zinc/26/52/88/185265288.db2.gz YKQZOKGEUXIVSZ-UHFFFAOYSA-N 0 0 322.296 0.823 10 0 DCAERN CC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)C(=O)OC ZINC000176182860 529667370 /nfs/dbraw/zinc/66/73/70/529667370.db2.gz DOBRZVSUONPBSH-LLVKDONJSA-N 0 0 323.740 0.997 10 0 DCAERN CCc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)s1 ZINC000090699019 185310227 /nfs/dbraw/zinc/31/02/27/185310227.db2.gz DJPSFJCJURTESF-LLVKDONJSA-N 0 0 315.464 0.589 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181478363 199304195 /nfs/dbraw/zinc/30/41/95/199304195.db2.gz CKBZAWPKIVFGSY-LBPRGKRZSA-N 0 0 322.413 0.542 10 0 DCAERN Cc1cc(C)cc(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000181441425 199298253 /nfs/dbraw/zinc/29/82/53/199298253.db2.gz AOBBQHHTFGLOBF-OLZOCXBDSA-N 0 0 318.416 0.376 10 0 DCAERN Cc1ccnc(N2CC[C@](O)(C(N)=O)C2)c1Br ZINC000286631970 219094127 /nfs/dbraw/zinc/09/41/27/219094127.db2.gz KLFJCVKAKKGZPU-LLVKDONJSA-N 0 0 300.156 0.579 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@H](C)C[C@H]2C(N)=O)cs1 ZINC000187389309 529874510 /nfs/dbraw/zinc/87/45/10/529874510.db2.gz DORAZNNEPWAHNR-ONGXEEELSA-N 0 0 310.423 0.517 10 0 DCAERN CNC(=O)CS(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173968407 529867083 /nfs/dbraw/zinc/86/70/83/529867083.db2.gz VGZDIZWAPTXUFV-UHFFFAOYSA-N 0 0 311.338 0.672 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)C[C@H](C)N1CCCCC1=O ZINC000189324804 529899303 /nfs/dbraw/zinc/89/93/03/529899303.db2.gz SUCYLFBVWPXHMO-STQMWFEESA-N 0 0 309.410 0.905 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCc1c(C)nn(C)c1C)C(C)C ZINC000178409459 529919562 /nfs/dbraw/zinc/91/95/62/529919562.db2.gz DUVSUMQUIMIDJI-CYBMUJFWSA-N 0 0 309.414 0.649 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178398663 529947289 /nfs/dbraw/zinc/94/72/89/529947289.db2.gz ROBPBYDPFDSEFO-CYBMUJFWSA-N 0 0 320.393 0.616 10 0 DCAERN CN(C)c1nccc(CN2CCC(C)(C)S(=O)(=O)CC2)n1 ZINC000408447048 282323805 /nfs/dbraw/zinc/32/38/05/282323805.db2.gz ARVXNSRLJWSBLK-UHFFFAOYSA-N 0 0 312.439 0.942 10 0 DCAERN O=C(N1CCOCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036138040 190663064 /nfs/dbraw/zinc/66/30/64/190663064.db2.gz XXNSOHYTEWBOQV-HNNXBMFYSA-N 0 0 315.373 0.880 10 0 DCAERN CCC1(CC)CN(C(=O)CN(C)S(C)(=O)=O)CC[S@]1=O ZINC000186763425 282358545 /nfs/dbraw/zinc/35/85/45/282358545.db2.gz JXCUYIMFZJWAIQ-IBGZPJMESA-N 0 0 324.468 0.028 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c(C)s1 ZINC000408103109 301390691 /nfs/dbraw/zinc/39/06/91/301390691.db2.gz KPNZMIAEEIQAQC-VIFPVBQESA-N 0 0 320.461 0.956 10 0 DCAERN CC(=O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181857243 199363359 /nfs/dbraw/zinc/36/33/59/199363359.db2.gz JCVLBMJOAVAHPA-UHFFFAOYSA-N 0 0 311.285 0.515 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)C[C@H]2CCCC[C@@H]2O)cn1 ZINC000181941937 199366452 /nfs/dbraw/zinc/36/64/52/199366452.db2.gz HMZHLSRLLANHJZ-YPMHNXCESA-N 0 0 323.397 0.644 10 0 DCAERN Cn1c(-c2ccoc2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000407976018 282553862 /nfs/dbraw/zinc/55/38/62/282553862.db2.gz RXZGMNFBVMEFMS-CYBMUJFWSA-N 0 0 303.366 0.986 10 0 DCAERN CN1C[C@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)CCC1=O ZINC000286981247 219255822 /nfs/dbraw/zinc/25/58/22/219255822.db2.gz SHEWZSRYYRSWIJ-SSDOTTSWSA-N 0 0 321.761 0.773 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)NCc2ccnn2C)CC1 ZINC000083981317 192392759 /nfs/dbraw/zinc/39/27/59/192392759.db2.gz LCKQKTAECSTRHV-UHFFFAOYSA-N 0 0 301.368 0.183 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000177892827 186199765 /nfs/dbraw/zinc/19/97/65/186199765.db2.gz UHKREICWBCTAAY-LBPRGKRZSA-N 0 0 317.267 0.854 10 0 DCAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181865876 186212262 /nfs/dbraw/zinc/21/22/62/186212262.db2.gz YXBDJUIBEIKOQJ-QMMMGPOBSA-N 0 0 323.296 0.739 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H]1OC ZINC000274942330 186445821 /nfs/dbraw/zinc/44/58/21/186445821.db2.gz MVJOXMMLNJNITB-IACUBPJLSA-N 0 0 304.350 0.891 10 0 DCAERN C[C@@H](NC(=O)N1CCO[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000171901610 198005380 /nfs/dbraw/zinc/00/53/80/198005380.db2.gz QFHJRTJRXPKRAJ-ZJUUUORDSA-N 0 0 312.395 0.703 10 0 DCAERN COC(=O)C1CCC(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408042296 290929795 /nfs/dbraw/zinc/92/97/95/290929795.db2.gz KGZKBEBVXBCHOO-MCIGGMRASA-N 0 0 317.407 0.611 10 0 DCAERN O=C(CN1CCN(CCc2cccnc2)CC1)N1CCOCC1 ZINC000172071287 198035015 /nfs/dbraw/zinc/03/50/15/198035015.db2.gz PVWVPVDQHRERKU-UHFFFAOYSA-N 0 0 318.421 0.101 10 0 DCAERN COCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC000172227074 198060741 /nfs/dbraw/zinc/06/07/41/198060741.db2.gz HYKKWYZICFLICF-LLVKDONJSA-N 0 0 318.377 0.649 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172605841 198123193 /nfs/dbraw/zinc/12/31/93/198123193.db2.gz JCTYADHJDYTCNQ-STQMWFEESA-N 0 0 307.398 0.762 10 0 DCAERN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnc2ncnn21 ZINC000072452852 191171876 /nfs/dbraw/zinc/17/18/76/191171876.db2.gz MBVBANFXTJUFPD-UHFFFAOYSA-N 0 0 323.360 0.790 10 0 DCAERN COC(=O)Cc1nn(-c2ccc(C)cc2)c2c1nnc1ncnn12 ZINC000072462296 191173196 /nfs/dbraw/zinc/17/31/96/191173196.db2.gz AGVZEJRLGGOJRH-UHFFFAOYSA-N 0 0 323.316 0.882 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnsn2)ncn1 ZINC000173426794 198213149 /nfs/dbraw/zinc/21/31/49/198213149.db2.gz OUDQZEROKOBEGN-SECBINFHSA-N 0 0 319.394 0.769 10 0 DCAERN CCc1cc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)[nH]n1 ZINC000173577245 198229467 /nfs/dbraw/zinc/22/94/67/198229467.db2.gz RJHBVBXZPLYOFA-LLVKDONJSA-N 0 0 304.354 0.866 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178756154 282870309 /nfs/dbraw/zinc/87/03/09/282870309.db2.gz JTLMREWBWCERPB-NSHDSACASA-N 0 0 300.318 0.999 10 0 DCAERN O=C1CNC(=O)N1CCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173708644 198242916 /nfs/dbraw/zinc/24/29/16/198242916.db2.gz BXIPQIAUAQTZBR-UHFFFAOYSA-N 0 0 319.365 0.858 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1N1CCOCC1 ZINC000173854032 198261056 /nfs/dbraw/zinc/26/10/56/198261056.db2.gz YTUCRNLRUBGYTC-OCCSQVGLSA-N 0 0 305.378 0.178 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173837473 198258151 /nfs/dbraw/zinc/25/81/51/198258151.db2.gz YPKATDLIOMASIN-XHDPSFHLSA-N 0 0 306.410 0.748 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000174647753 198365015 /nfs/dbraw/zinc/36/50/15/198365015.db2.gz LZFYCJDGAQJUKX-UHFFFAOYSA-N 0 0 318.377 0.859 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)C1CCOCC1 ZINC000182155729 199394144 /nfs/dbraw/zinc/39/41/44/199394144.db2.gz VZJSEPOPLNMZTL-IACUBPJLSA-N 0 0 312.410 0.801 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(F)F ZINC000073156102 191285912 /nfs/dbraw/zinc/28/59/12/191285912.db2.gz TZAGBJUVFCIOAQ-ZETCQYMHSA-N 0 0 310.297 0.874 10 0 DCAERN OCc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000182750120 199485721 /nfs/dbraw/zinc/48/57/21/199485721.db2.gz WTKIQAXVTDEAKG-UHFFFAOYSA-N 0 0 324.388 0.939 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCO[C@]2(CCOC2)C1 ZINC000184485089 295900670 /nfs/dbraw/zinc/90/06/70/295900670.db2.gz WYCNRFXTBUAUDL-SWLSCSKDSA-N 0 0 306.366 0.468 10 0 DCAERN CCNC(=O)N1CCN(CC(=O)N[C@@H](C(C)=O)C(C)C)CC1 ZINC000073645910 191336451 /nfs/dbraw/zinc/33/64/51/191336451.db2.gz JVTGDYUSDDTUBE-CQSZACIVSA-N 0 0 312.414 0.063 10 0 DCAERN O=C([O-])C[NH+]1CCN(c2nccn(-c3ccccc3)c2=O)CC1 ZINC000073737187 191349803 /nfs/dbraw/zinc/34/98/03/191349803.db2.gz XPABAXRRWTZHJM-UHFFFAOYSA-N 0 0 314.345 0.439 10 0 DCAERN COc1ccc(CCn2c3[nH]cnc3c(=O)[nH]c2=O)cc1OC ZINC000073739046 191350590 /nfs/dbraw/zinc/35/05/90/191350590.db2.gz KOIPQWZFBOJJDR-UHFFFAOYSA-N 0 0 316.317 0.673 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCOc3ccccc32)C1 ZINC000077761709 191770874 /nfs/dbraw/zinc/77/08/74/191770874.db2.gz GJEQNYVXPMIHOG-LBPRGKRZSA-N 0 0 303.362 0.609 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncccc2C(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000092500592 545721388 /nfs/dbraw/zinc/72/13/88/545721388.db2.gz CMYFWYFDRPQAJW-APPZFPTMSA-N 0 0 317.267 0.815 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCC1=O ZINC000081497621 283197632 /nfs/dbraw/zinc/19/76/32/283197632.db2.gz KWVHPHQTJAEJNE-KWQFWETISA-N 0 0 309.288 0.316 10 0 DCAERN COc1ccc(C(=O)NCCNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000178902586 198950082 /nfs/dbraw/zinc/95/00/82/198950082.db2.gz UZNYLJCURQHCLF-CQSZACIVSA-N 0 0 308.378 0.948 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccc(CO)c2)CCS1(=O)=O ZINC000179323357 199015430 /nfs/dbraw/zinc/01/54/30/199015430.db2.gz UHCAKSLFBLRBEA-LLVKDONJSA-N 0 0 312.391 0.507 10 0 DCAERN CCCCN(CCOC)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179449666 199037713 /nfs/dbraw/zinc/03/77/13/199037713.db2.gz JONXNUSCPWZJMB-UHFFFAOYSA-N 0 0 311.386 0.910 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)c1 ZINC000179503529 199047106 /nfs/dbraw/zinc/04/71/06/199047106.db2.gz GYYMRQCMHSVFJV-KLPPZKSPSA-N 0 0 312.391 0.615 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)[C@H](C)c2cnn(C)c2)C1 ZINC000180822829 199213227 /nfs/dbraw/zinc/21/32/27/199213227.db2.gz GAZISWJDDDTRBY-YPMHNXCESA-N 0 0 322.413 0.926 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC(C)(C)[C@@H](C)O)CC1 ZINC000163050133 237112293 /nfs/dbraw/zinc/11/22/93/237112293.db2.gz JKGPZTRPVAGCQO-SNVBAGLBSA-N 0 0 306.428 0.324 10 0 DCAERN O=C(Cc1cn2ccsc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000172748011 237153151 /nfs/dbraw/zinc/15/31/51/237153151.db2.gz WLCAXWIGRTWWDE-ZDUSSCGKSA-N 0 0 320.418 0.871 10 0 DCAERN Cc1nc2ccc(C(=O)N3CCN(S(N)(=O)=O)CC3)cc2o1 ZINC000281010516 216019925 /nfs/dbraw/zinc/01/99/25/216019925.db2.gz VBNSRQGGOIYYDD-UHFFFAOYSA-N 0 0 324.362 0.098 10 0 DCAERN O=C(NCc1nccn1CCc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000176496834 237199624 /nfs/dbraw/zinc/19/96/24/237199624.db2.gz HJQDFAQUKIUFID-AWEZNQCLSA-N 0 0 312.373 0.878 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc2c(c1O)CCCC2 ZINC000183383921 237277068 /nfs/dbraw/zinc/27/70/68/237277068.db2.gz UPQXAZMGOWMMCR-LBPRGKRZSA-N 0 0 302.330 0.806 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@H](C)O[C@H](CO)C3)cnc12 ZINC000187874194 237362010 /nfs/dbraw/zinc/36/20/10/237362010.db2.gz UGJWXFFOERMLOE-RYUDHWBXSA-N 0 0 317.345 0.225 10 0 DCAERN Cc1cnccc1CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000188918292 237382594 /nfs/dbraw/zinc/38/25/94/237382594.db2.gz SDMFWTBHHCKSIH-UHFFFAOYSA-N 0 0 324.340 0.710 10 0 DCAERN CNC(=O)CCCN(C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000153857671 291209362 /nfs/dbraw/zinc/20/93/62/291209362.db2.gz QTYZEKHETHUCIW-UHFFFAOYSA-N 0 0 315.373 0.986 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000154347250 291213075 /nfs/dbraw/zinc/21/30/75/291213075.db2.gz HXGLKOYWVSJBFR-UHFFFAOYSA-N 0 0 315.373 0.890 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1C ZINC000154396565 291213188 /nfs/dbraw/zinc/21/31/88/291213188.db2.gz OKSWJJWEKKAORD-MNOVXSKESA-N 0 0 305.382 0.986 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000154878700 291216231 /nfs/dbraw/zinc/21/62/31/291216231.db2.gz OELBOVFBSMHEDW-WCQYABFASA-N 0 0 307.398 0.994 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154953481 291216689 /nfs/dbraw/zinc/21/66/89/291216689.db2.gz YEONSTVSMMEOGS-NXEZZACHSA-N 0 0 308.386 0.967 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CCCn1ccnc1 ZINC000155306734 291219138 /nfs/dbraw/zinc/21/91/38/291219138.db2.gz YBPZGXDQBBAGQB-UHFFFAOYSA-N 0 0 318.381 0.977 10 0 DCAERN COCCc1cc(NC(=O)[C@H](C)NC(=O)c2ccoc2)n(C)n1 ZINC000156730838 291225733 /nfs/dbraw/zinc/22/57/33/291225733.db2.gz XVHNCCFTEOSOFN-JTQLQIEISA-N 0 0 320.349 0.959 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000158317638 291230998 /nfs/dbraw/zinc/23/09/98/291230998.db2.gz LVXBCCJLNKSZLB-CHWSQXEVSA-N 0 0 324.425 0.553 10 0 DCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](O)C(C)C)C1 ZINC000158849428 291232867 /nfs/dbraw/zinc/23/28/67/291232867.db2.gz XAPAJLPGXXCYRV-RYUDHWBXSA-N 0 0 322.427 0.113 10 0 DCAERN CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H]([C@H](O)CO)[C@@H]2O1 ZINC000006050299 181308486 /nfs/dbraw/zinc/30/84/86/181308486.db2.gz NKCNUNUEQRYLNZ-NIFZNCRKSA-N 0 0 310.346 0.801 10 0 DCAERN COC[C@@H](O)CCNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000161587463 291242334 /nfs/dbraw/zinc/24/23/34/291242334.db2.gz NFZGTSOIXKCYPG-JSGCOSHPSA-N 0 0 302.415 0.687 10 0 DCAERN CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000162751565 291244575 /nfs/dbraw/zinc/24/45/75/291244575.db2.gz IUPPSIBXNSCCGU-LBPRGKRZSA-N 0 0 305.444 0.667 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cn1 ZINC000281442361 216302396 /nfs/dbraw/zinc/30/23/96/216302396.db2.gz CNZQGSLBXGPCAO-SECBINFHSA-N 0 0 311.363 0.041 10 0 DCAERN CC(C)[C@H](O)C1(CNC(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000271872398 209284801 /nfs/dbraw/zinc/28/48/01/209284801.db2.gz LSZUULQQUFMCRC-LBPRGKRZSA-N 0 0 318.381 0.322 10 0 DCAERN COC1(CO)CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000401947046 239253985 /nfs/dbraw/zinc/25/39/85/239253985.db2.gz JQQUMUBSDLZXGL-UHFFFAOYSA-N 0 0 323.802 0.236 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)c1ncsc1Br ZINC000566468321 291305388 /nfs/dbraw/zinc/30/53/88/291305388.db2.gz JHJFRTQOPHBWGU-YFKPBYRVSA-N 0 0 304.169 0.914 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CCC1=O ZINC000281690079 216476189 /nfs/dbraw/zinc/47/61/89/216476189.db2.gz VFVHHDBECGARNM-SECBINFHSA-N 0 0 314.363 0.581 10 0 DCAERN C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630280 299347370 /nfs/dbraw/zinc/34/73/70/299347370.db2.gz DBKVIQLYUDJZBC-UWVGGRQHSA-N 0 0 320.397 0.642 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000566808327 291324198 /nfs/dbraw/zinc/32/41/98/291324198.db2.gz DUYLTBICFIGNJZ-CYBMUJFWSA-N 0 0 300.366 0.398 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[C@@H]1CCCO1 ZINC000275456837 212344980 /nfs/dbraw/zinc/34/49/80/212344980.db2.gz RNNIUCKAQQRHCJ-IHRRRGAJSA-N 0 0 321.425 0.986 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)NCc2cccs2)n1 ZINC000275352770 212285359 /nfs/dbraw/zinc/28/53/59/212285359.db2.gz VAQOKQHOAJXVLR-ZYHUDNBSSA-N 0 0 322.390 0.864 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000442114369 240539763 /nfs/dbraw/zinc/53/97/63/240539763.db2.gz SOGGVVRPDBPWMD-LLVKDONJSA-N 0 0 310.379 0.050 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784117 193107597 /nfs/dbraw/zinc/10/75/97/193107597.db2.gz DPYHHGNMKRZHGN-CYBMUJFWSA-N 0 0 306.362 0.785 10 0 DCAERN CCc1cccc2c(CC(=O)N3CCOC[C@@H]3C(N)=O)c[nH]c21 ZINC000091783746 193107662 /nfs/dbraw/zinc/10/76/62/193107662.db2.gz JNSFAJDIPVOAFK-CQSZACIVSA-N 0 0 315.373 0.986 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1coc(-c2cccs2)n1 ZINC000091784628 193107686 /nfs/dbraw/zinc/10/76/86/193107686.db2.gz AVXIYQDIBXDWRL-SNVBAGLBSA-N 0 0 321.358 0.658 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784052 193107696 /nfs/dbraw/zinc/10/76/96/193107696.db2.gz WCOVEFVZWPOKRB-CQSZACIVSA-N 0 0 306.362 0.785 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCN[C@H](c2ccncc2)C1 ZINC000408357177 296084957 /nfs/dbraw/zinc/08/49/57/296084957.db2.gz IZPLLGQHUVCRTB-YHUYYLMFSA-N 0 0 317.389 0.606 10 0 DCAERN CC[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)NC ZINC000457051323 240962368 /nfs/dbraw/zinc/96/23/68/240962368.db2.gz NGBVBBQWEVCYTH-LBPRGKRZSA-N 0 0 301.350 0.586 10 0 DCAERN O=C(NCCCc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000457417330 241002993 /nfs/dbraw/zinc/00/29/93/241002993.db2.gz OSXVDOACGDRQMX-AWEZNQCLSA-N 0 0 303.366 0.571 10 0 DCAERN O=C(NCCc1ccc(F)cc1)NC[C@H](O)Cn1ccnn1 ZINC000457428801 241004583 /nfs/dbraw/zinc/00/45/83/241004583.db2.gz YXICGYGBIFRUCW-ZDUSSCGKSA-N 0 0 307.329 0.320 10 0 DCAERN O=C(NCCOC1CCCCC1)NC[C@@H](O)Cn1ccnn1 ZINC000457912563 241048067 /nfs/dbraw/zinc/04/80/67/241048067.db2.gz JXKHYCRBNZZHHT-GFCCVEGCSA-N 0 0 311.386 0.288 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC(F)(F)C2)C1=O ZINC000493894367 241175643 /nfs/dbraw/zinc/17/56/43/241175643.db2.gz NMXVQTVSQFIJCD-SSDOTTSWSA-N 0 0 303.265 0.101 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC(F)(F)C2)C1=O ZINC000493894368 241175835 /nfs/dbraw/zinc/17/58/35/241175835.db2.gz NMXVQTVSQFIJCD-ZETCQYMHSA-N 0 0 303.265 0.101 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@H](C)C2)c(C)o1 ZINC000275310761 212264868 /nfs/dbraw/zinc/26/48/68/212264868.db2.gz YNKWUBSHCFNJBB-MRVPVSSYSA-N 0 0 314.363 0.547 10 0 DCAERN O=C(CCS(=O)(=O)c1ccccc1)NCC(=O)NC1CC1 ZINC000006989750 181430012 /nfs/dbraw/zinc/43/00/12/181430012.db2.gz QLXSUULEGLKLDD-UHFFFAOYSA-N 0 0 310.375 0.245 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000408298517 284033137 /nfs/dbraw/zinc/03/31/37/284033137.db2.gz OPOVXZXQULHTRA-IJLUTSLNSA-N 0 0 311.382 0.448 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000092229615 193177139 /nfs/dbraw/zinc/17/71/39/193177139.db2.gz JXTMZKUAFUZJPT-NSHDSACASA-N 0 0 315.732 0.604 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000568833632 291448252 /nfs/dbraw/zinc/44/82/52/291448252.db2.gz NITVOYQPSMJCII-RKDXNWHRSA-N 0 0 304.393 0.363 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000374958206 296140538 /nfs/dbraw/zinc/14/05/38/296140538.db2.gz ZQKCLKSOWBQLIV-MNOVXSKESA-N 0 0 304.412 0.342 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094178789 193347474 /nfs/dbraw/zinc/34/74/74/193347474.db2.gz KINIUHVKZOTUCE-OPQQBVKSSA-N 0 0 312.391 0.936 10 0 DCAERN CSCCc1nc(C[C@H]2CCS(=O)(=O)C2)n(CCO)n1 ZINC000096131753 193547137 /nfs/dbraw/zinc/54/71/37/193547137.db2.gz VFMPMWGAAXPQKC-SNVBAGLBSA-N 0 0 319.452 0.153 10 0 DCAERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@@H]1C)[C@H]1CC(=O)NC1=O ZINC000246757908 284223660 /nfs/dbraw/zinc/22/36/60/284223660.db2.gz SXVQYBUUBBESBI-NURSFMCSSA-N 0 0 302.330 0.815 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCc2ccccc2C1 ZINC000264961699 204306079 /nfs/dbraw/zinc/30/60/79/204306079.db2.gz AWWQUOYXAFISTQ-CYBMUJFWSA-N 0 0 316.361 0.395 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282503372 217044540 /nfs/dbraw/zinc/04/45/40/217044540.db2.gz XHADJLVVMGZJLL-DGGAMASNSA-N 0 0 315.373 0.853 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282507217 217048827 /nfs/dbraw/zinc/04/88/27/217048827.db2.gz OMDHBRZTXOGVMG-SNVBAGLBSA-N 0 0 304.350 0.741 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3O[C@H](C)C[C@H]3C)CC2)n1 ZINC000282720993 217200988 /nfs/dbraw/zinc/20/09/88/217200988.db2.gz QGWHWOMFVADSFW-YRGRVCCFSA-N 0 0 320.393 0.947 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)c1ncsc1Br ZINC000288298819 220069441 /nfs/dbraw/zinc/06/94/41/220069441.db2.gz XVHWVKFZCXQPJS-VIFPVBQESA-N 0 0 307.169 0.787 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCOC[C@]12CCOC2 ZINC000194388018 296235090 /nfs/dbraw/zinc/23/50/90/296235090.db2.gz HMPDLECMMOPDSZ-MRXNPFEDSA-N 0 0 302.330 0.813 10 0 DCAERN O=S1(=O)CC[C@H](Sc2nnnn2-c2ccc(O)cc2)C1 ZINC000037977709 182949623 /nfs/dbraw/zinc/94/96/23/182949623.db2.gz NNQXPLDVLBLJFZ-JTQLQIEISA-N 0 0 312.376 0.647 10 0 DCAERN CCOC(=O)C[C@](O)(C(=O)OCC)[C@@H](C(C)=O)C(=O)OCC ZINC000038882657 183012352 /nfs/dbraw/zinc/01/23/52/183012352.db2.gz WBBUYACCVIYKCV-SMDDNHRTSA-N 0 0 318.322 0.002 10 0 DCAERN CCCn1nc(C(=O)NCc2nnc3n2CCC3)ccc1=O ZINC000040486210 183077625 /nfs/dbraw/zinc/07/76/25/183077625.db2.gz ICODFZSNSLUNGB-UHFFFAOYSA-N 0 0 302.338 0.121 10 0 DCAERN O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040789280 183133767 /nfs/dbraw/zinc/13/37/67/183133767.db2.gz HAPXEJZGHQQCSU-SKDRFNHKSA-N 0 0 324.358 0.080 10 0 DCAERN COC[C@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000103519765 193941750 /nfs/dbraw/zinc/94/17/50/193941750.db2.gz IOKCLCIXAGYUSQ-DZGCQCFKSA-N 0 0 319.405 0.640 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000104672443 194024983 /nfs/dbraw/zinc/02/49/83/194024983.db2.gz OULXDPVVARBKMT-HNNXBMFYSA-N 0 0 319.405 0.912 10 0 DCAERN C[C@@H](Cc1ccc(O)cc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000105181406 194081705 /nfs/dbraw/zinc/08/17/05/194081705.db2.gz BVSRQUTWLCRAPN-WFASDCNBSA-N 0 0 307.394 0.953 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282453 194092786 /nfs/dbraw/zinc/09/27/86/194092786.db2.gz PITMAXFOOVEIQE-ZDUSSCGKSA-N 0 0 316.365 0.719 10 0 DCAERN CC[C@@H]1CN(c2cnn(C)c(=O)c2Cl)CCN1C[C@@H](C)O ZINC000105790801 194128445 /nfs/dbraw/zinc/12/84/45/194128445.db2.gz ZXUFWEXZWZUANX-GHMZBOCLSA-N 0 0 314.817 0.715 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798049 194130746 /nfs/dbraw/zinc/13/07/46/194130746.db2.gz PVBHMYUSSNLLNS-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN CCCS(=O)(=O)CCN1CCCN(c2cccnn2)CC1 ZINC000105800313 194131315 /nfs/dbraw/zinc/13/13/15/194131315.db2.gz CFSPSIDHNNCFKE-UHFFFAOYSA-N 0 0 312.439 0.814 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CCN2CCCC2=O)CC1 ZINC000105865897 194150518 /nfs/dbraw/zinc/15/05/18/194150518.db2.gz OQFIJWVVTKYVKI-UHFFFAOYSA-N 0 0 319.453 0.777 10 0 DCAERN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCC(F)(F)F ZINC000105882815 194155391 /nfs/dbraw/zinc/15/53/91/194155391.db2.gz XFOVSBHGJUHVKD-SNVBAGLBSA-N 0 0 305.304 0.669 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCNC(=O)CC3)ccc2O1 ZINC000106228746 194191154 /nfs/dbraw/zinc/19/11/54/194191154.db2.gz HTMWJDHXORTJNS-JTQLQIEISA-N 0 0 310.375 0.521 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000106393397 194205466 /nfs/dbraw/zinc/20/54/66/194205466.db2.gz YIPLIPBGDFVVJV-QWHCGFSZSA-N 0 0 314.430 0.129 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000106403409 194207701 /nfs/dbraw/zinc/20/77/01/194207701.db2.gz FRGYOALINMTEBJ-HNNXBMFYSA-N 0 0 319.405 0.332 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000106529221 194225464 /nfs/dbraw/zinc/22/54/64/194225464.db2.gz ARPOTFMUIOGSET-LLVKDONJSA-N 0 0 314.349 0.297 10 0 DCAERN CCCN(CCO)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000048922131 183696666 /nfs/dbraw/zinc/69/66/66/183696666.db2.gz GOUIOOKZKGLWGH-UHFFFAOYSA-N 0 0 300.380 0.439 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNc2ccnc(C3CC3)n2)CC1 ZINC000110587079 194340039 /nfs/dbraw/zinc/34/00/39/194340039.db2.gz IWZZHBJRWKXLOI-UHFFFAOYSA-N 0 0 317.393 0.847 10 0 DCAERN CN(C(=O)CCn1cncn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110889022 194366936 /nfs/dbraw/zinc/36/69/36/194366936.db2.gz OCNIGIXOIPFBSD-CQSZACIVSA-N 0 0 313.361 0.932 10 0 DCAERN Cc1ccccc1S(=O)(=O)N[C@H](C)C(=O)N1CCOCC1 ZINC000056640592 184016483 /nfs/dbraw/zinc/01/64/83/184016483.db2.gz XOXUHISAPNBEGD-GFCCVEGCSA-N 0 0 312.391 0.521 10 0 DCAERN CCOCCOCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112064414 194429581 /nfs/dbraw/zinc/42/95/81/194429581.db2.gz ADFZZLJEZSEMAU-CQSZACIVSA-N 0 0 311.382 0.472 10 0 DCAERN C[C@H](O)[C@@H]1C[C@H](C)CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000408397590 299534195 /nfs/dbraw/zinc/53/41/95/299534195.db2.gz YRIGFAGDEKXKRQ-WOPDTQHZSA-N 0 0 304.412 0.318 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000112911322 194535588 /nfs/dbraw/zinc/53/55/88/194535588.db2.gz ZWMJIMLKJXQELB-SMDDNHRTSA-N 0 0 303.362 0.775 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000116830575 194774533 /nfs/dbraw/zinc/77/45/33/194774533.db2.gz YINXNHLNEZTCIH-NSHDSACASA-N 0 0 300.355 0.518 10 0 DCAERN O=c1[nH]c2ccccc2n1CCNS(=O)(=O)NC1CCCC1 ZINC000062260564 252585027 /nfs/dbraw/zinc/58/50/27/252585027.db2.gz CTONAOHQOJFZDP-UHFFFAOYSA-N 0 0 324.406 0.696 10 0 DCAERN O=C(CNC(=O)c1ccsc1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000117985694 194861284 /nfs/dbraw/zinc/86/12/84/194861284.db2.gz HXXMIRSJRTWMDI-GFCCVEGCSA-N 0 0 321.402 0.748 10 0 DCAERN CCN1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000333240630 252697052 /nfs/dbraw/zinc/69/70/52/252697052.db2.gz ZSPOYRBYFSRRFK-XJKCOSOUSA-N 0 0 309.410 0.944 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333182782 252691448 /nfs/dbraw/zinc/69/14/48/252691448.db2.gz QCLIKYXYHLZCSA-XQHKEYJVSA-N 0 0 315.439 0.898 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000333599317 252742213 /nfs/dbraw/zinc/74/22/13/252742213.db2.gz YHQZLQPLDYWRBF-GFCCVEGCSA-N 0 0 315.395 0.644 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000333609810 252744033 /nfs/dbraw/zinc/74/40/33/252744033.db2.gz GLWVZLBEHBUNJU-STQMWFEESA-N 0 0 320.393 0.877 10 0 DCAERN CCC(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000333803769 252765409 /nfs/dbraw/zinc/76/54/09/252765409.db2.gz YREZCBYDVMIDDW-QWHCGFSZSA-N 0 0 324.425 0.903 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000334137398 252795042 /nfs/dbraw/zinc/79/50/42/252795042.db2.gz ZKXGJGZNQFIGEZ-YHAQOWFVSA-N 0 0 308.382 0.947 10 0 DCAERN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000370651424 291853563 /nfs/dbraw/zinc/85/35/63/291853563.db2.gz QDNXDAZKNQFJAH-WUHRBBMRSA-N 0 0 308.378 0.703 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)O)c1 ZINC000340850210 253313967 /nfs/dbraw/zinc/31/39/67/253313967.db2.gz IBHDPSJWJXDOHB-MNOVXSKESA-N 0 0 321.377 0.883 10 0 DCAERN O=C(CNC(=O)c1ncsc1Br)NC1CC1 ZINC000288634021 220307632 /nfs/dbraw/zinc/30/76/32/220307632.db2.gz MUMKTFQJXAHPBL-UHFFFAOYSA-N 0 0 304.169 0.914 10 0 DCAERN COC(=O)C1CCC(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000341525680 253390846 /nfs/dbraw/zinc/39/08/46/253390846.db2.gz MFIURNYDIYJZCX-NWINJMCUSA-N 0 0 310.394 0.507 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000341858723 253424956 /nfs/dbraw/zinc/42/49/56/253424956.db2.gz ITZWRVNBOHQXGM-YPMHNXCESA-N 0 0 309.410 0.664 10 0 DCAERN O=C1NC[C@H]2CN(CCC(Cl)(Cl)Cl)CCN2C1=O ZINC000184622686 296383894 /nfs/dbraw/zinc/38/38/94/296383894.db2.gz FPFZPIDDMOTOCF-ZETCQYMHSA-N 0 0 314.600 0.389 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)on1 ZINC000346142129 254015457 /nfs/dbraw/zinc/01/54/57/254015457.db2.gz BIHQKIMSGRNIJV-ZETCQYMHSA-N 0 0 304.324 0.014 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2c(c1)nnn2C ZINC000104276943 220436618 /nfs/dbraw/zinc/43/66/18/220436618.db2.gz AFRWWLSQEVIFHW-ONGXEEELSA-N 0 0 301.350 0.694 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)NC[C@H]2CC[C@H](CO)O2)c1 ZINC000349671786 254292119 /nfs/dbraw/zinc/29/21/19/254292119.db2.gz UJZKQBBMOUFTFZ-HUUCEWRRSA-N 0 0 320.389 0.635 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCSC[C@H]2CCO)C1 ZINC000408011937 296395493 /nfs/dbraw/zinc/39/54/93/296395493.db2.gz XFTYPAHOYZVITK-VXGBXAGGSA-N 0 0 308.469 0.763 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)C1 ZINC000349968278 254306294 /nfs/dbraw/zinc/30/62/94/254306294.db2.gz HEBRLTCLYUNVBU-DTWKUNHWSA-N 0 0 304.334 0.866 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408320989 297388816 /nfs/dbraw/zinc/38/88/16/297388816.db2.gz NNXPASGGTIZALE-ZOBORPQBSA-N 0 0 316.467 0.998 10 0 DCAERN C[C@@H](CO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000351901068 254379306 /nfs/dbraw/zinc/37/93/06/254379306.db2.gz QMULYSYMFNAAJE-JTQLQIEISA-N 0 0 324.402 0.571 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000187998923 533164603 /nfs/dbraw/zinc/16/46/03/533164603.db2.gz CICIZOXNICZASG-ZIAGYGMSSA-N 0 0 312.410 0.897 10 0 DCAERN COc1ncc(C)cc1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000189072804 533203471 /nfs/dbraw/zinc/20/34/71/533203471.db2.gz MHTXXNLCUMPSCX-GFCCVEGCSA-N 0 0 308.382 0.929 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000120542492 195186201 /nfs/dbraw/zinc/18/62/01/195186201.db2.gz CKAWDEWIVSGPEN-CYBMUJFWSA-N 0 0 304.346 0.856 10 0 DCAERN Cn1cnc2c1nccc2-c1nc([C@H]2CN3CCN2CC3)no1 ZINC000289655472 221132887 /nfs/dbraw/zinc/13/28/87/221132887.db2.gz KBUJLFUJUHJURB-LLVKDONJSA-N 0 0 311.349 0.691 10 0 DCAERN Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)on1 ZINC000248045592 257110195 /nfs/dbraw/zinc/11/01/95/257110195.db2.gz VDQFOZNCNDXMAL-HZMBPMFUSA-N 0 0 304.306 0.715 10 0 DCAERN Cc1noc([C@@H]2CO[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]32)n1 ZINC000248036266 257110503 /nfs/dbraw/zinc/11/05/03/257110503.db2.gz QZHSLYPWRNTJSL-MJBXVCDLSA-N 0 0 314.345 0.957 10 0 DCAERN Cc1nnc(N2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NC3CC3)C2)s1 ZINC000248045715 257110619 /nfs/dbraw/zinc/11/06/19/257110619.db2.gz VGZCGKXECRWILK-WOPDTQHZSA-N 0 0 308.407 0.966 10 0 DCAERN O=C([C@H]1CN(c2ncccn2)Cc2cncn21)N1CCCCO1 ZINC000247853368 257115731 /nfs/dbraw/zinc/11/57/31/257115731.db2.gz JNRLCZAORKZRQN-CYBMUJFWSA-N 0 0 314.349 0.788 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccc(C)n1 ZINC000247858549 257116143 /nfs/dbraw/zinc/11/61/43/257116143.db2.gz FBLTWAOVUGBGCK-KGLIPLIRSA-N 0 0 323.418 0.915 10 0 DCAERN COCC(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1cccnc1 ZINC000247816772 257117325 /nfs/dbraw/zinc/11/73/25/257117325.db2.gz GJFMKCALRIMQRR-JKSUJKDBSA-N 0 0 319.405 0.572 10 0 DCAERN O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]2C(=O)NCCO[C@@H]2C1 ZINC000247794113 257117901 /nfs/dbraw/zinc/11/79/01/257117901.db2.gz BOQUNWGMIGAKKG-SMDDNHRTSA-N 0 0 318.329 0.392 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@@]2(C[C@H](Oc3ncccn3)CO2)C1 ZINC000247751897 257118188 /nfs/dbraw/zinc/11/81/88/257118188.db2.gz AZDLOXVDFFXBPC-HEHGZKQESA-N 0 0 319.361 0.794 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 ZINC000247496242 257119622 /nfs/dbraw/zinc/11/96/22/257119622.db2.gz DAAUEFMPTUQOQU-ZIAGYGMSSA-N 0 0 311.407 0.316 10 0 DCAERN O=C([C@@H]1CCOC1)N1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1 ZINC000253616409 257104585 /nfs/dbraw/zinc/10/45/85/257104585.db2.gz WYRLMKXAVUCRDL-QLFBSQMISA-N 0 0 315.373 0.535 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000074366210 184978407 /nfs/dbraw/zinc/97/84/07/184978407.db2.gz YPTZHDDNJFFFCX-NSHDSACASA-N 0 0 300.380 0.371 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000408203643 299611225 /nfs/dbraw/zinc/61/12/25/299611225.db2.gz DURKVGXKSWOILW-VWYCJHECSA-N 0 0 319.427 0.070 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@@H](O)C(N)=O)CC1 ZINC000299751310 533247187 /nfs/dbraw/zinc/24/71/87/533247187.db2.gz QHLQYCDXQWQVIA-SMDDNHRTSA-N 0 0 311.426 0.382 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CC3(C)C)C2)c1=O ZINC000275533283 130330775 /nfs/dbraw/zinc/33/07/75/130330775.db2.gz DWVPZEQCENQICI-RYUDHWBXSA-N 0 0 304.394 0.911 10 0 DCAERN Cc1ncc(CN2CCN(S(=O)(=O)C3COC3)CC2)s1 ZINC000277107859 130581726 /nfs/dbraw/zinc/58/17/26/130581726.db2.gz UVCXRJLTRXIVFC-UHFFFAOYSA-N 0 0 317.436 0.298 10 0 DCAERN Cc1cc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000283803873 131025684 /nfs/dbraw/zinc/02/56/84/131025684.db2.gz BJCLGVJHXWYRGP-KGLIPLIRSA-N 0 0 307.398 0.343 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000283942378 131035244 /nfs/dbraw/zinc/03/52/44/131035244.db2.gz JURZUFGTUGKVOY-CABCVRRESA-N 0 0 321.425 0.696 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cncc(Cl)c2)C[C@H]1C(N)=O ZINC000284377691 131075175 /nfs/dbraw/zinc/07/51/75/131075175.db2.gz AGVSJYCDEABOHD-GMSGAONNSA-N 0 0 303.771 0.477 10 0 DCAERN COc1ccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1F ZINC000284472783 131083547 /nfs/dbraw/zinc/08/35/47/131083547.db2.gz BFXWABZLJDKWRV-AAEUAGOBSA-N 0 0 324.352 0.868 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NS(=O)(=O)CC2CC2)CC(=O)N1C ZINC000284528357 131088910 /nfs/dbraw/zinc/08/89/10/131088910.db2.gz MHFGCRYCXICHDP-ZWNOBZJWSA-N 0 0 312.395 0.021 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc3nccnc3cc2F)C1 ZINC000284548325 131091638 /nfs/dbraw/zinc/09/16/38/131091638.db2.gz IHXYFIYAGXJAJE-SDBXPKJASA-N 0 0 318.308 0.484 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284581903 131094198 /nfs/dbraw/zinc/09/41/98/131094198.db2.gz GLJFKSMSOOVGBQ-AAEUAGOBSA-N 0 0 321.377 0.877 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCc3sccc3C2)[C@@H]1C(N)=O ZINC000284609532 131096788 /nfs/dbraw/zinc/09/67/88/131096788.db2.gz CFBKYFBBPRKFSW-YGRLFVJLSA-N 0 0 323.418 0.207 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCCOc2cccc(F)c2)C1 ZINC000284625786 131097565 /nfs/dbraw/zinc/09/75/65/131097565.db2.gz DKUQKSMGVYVCES-INIZCTEOSA-N 0 0 324.352 0.694 10 0 DCAERN Cn1ncc2c1nccc2N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284788003 131111983 /nfs/dbraw/zinc/11/19/83/131111983.db2.gz RCBCBRRZSBWBEB-OAHLLOKOSA-N 0 0 313.365 0.591 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854333 131115757 /nfs/dbraw/zinc/11/57/57/131115757.db2.gz HUHCYMJFJYDNGT-KBPBESRZSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1F ZINC000285071048 131135847 /nfs/dbraw/zinc/13/58/47/131135847.db2.gz PFKDQGBJRBXFJD-KCJUWKMLSA-N 0 0 304.318 0.721 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)C[C@H]1C(N)=O ZINC000285361195 131160660 /nfs/dbraw/zinc/16/06/60/131160660.db2.gz DXAJOMJLMQVWGV-ZWNOBZJWSA-N 0 0 313.357 0.732 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285523791 131177158 /nfs/dbraw/zinc/17/71/58/131177158.db2.gz NIZKNRIEOVBZJN-DPCFLFMUSA-N 0 0 318.373 0.937 10 0 DCAERN CC[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(C)(C)O ZINC000293928579 131783557 /nfs/dbraw/zinc/78/35/57/131783557.db2.gz HQKUQNRYAGUNJE-ZDUSSCGKSA-N 0 0 320.393 0.297 10 0 DCAERN c1cnn(-c2cncc(N3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000329739346 285556336 /nfs/dbraw/zinc/55/63/36/285556336.db2.gz NHWRNYOOTQRNOT-ZDUSSCGKSA-N 0 0 300.366 0.573 10 0 DCAERN Cc1cc(C)nc(N2CCN(c3ccnc(CO)n3)CC2)n1 ZINC000013472141 134513187 /nfs/dbraw/zinc/51/31/87/134513187.db2.gz KXEHNZFYMZBSFZ-UHFFFAOYSA-N 0 0 300.366 0.702 10 0 DCAERN CCCN1C(=O)N=NC1S[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000012929713 395688218 /nfs/dbraw/zinc/68/82/18/395688218.db2.gz PMAFFBGGGMYKCU-ZETCQYMHSA-N 0 0 313.383 0.863 10 0 DCAERN Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(=S)[nH]c2=O)cc1 ZINC000017142817 395690600 /nfs/dbraw/zinc/69/06/00/395690600.db2.gz STPWLUORFJDZTK-UHFFFAOYSA-N 0 0 313.364 0.810 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC ZINC000025199371 395693197 /nfs/dbraw/zinc/69/31/97/395693197.db2.gz WNRSFSUADSLLRY-RISCZKNCSA-N 0 0 305.378 0.693 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOCC1 ZINC000000052520 395679651 /nfs/dbraw/zinc/67/96/51/395679651.db2.gz ZFLZMLCVLHFBGK-WDEREUQCSA-N 0 0 300.355 0.216 10 0 DCAERN CN(C)S(=O)(=O)n1cc(I)cn1 ZINC000008203675 395684166 /nfs/dbraw/zinc/68/41/66/395684166.db2.gz ZAJNNXVBGIXCOI-UHFFFAOYSA-N 0 0 301.109 0.142 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)C1CCN(c2cnccn2)CC1 ZINC000031574582 395707220 /nfs/dbraw/zinc/70/72/20/395707220.db2.gz RQRNPKGHYSDJLH-UHFFFAOYSA-N 0 0 319.409 0.724 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@@H](O)COCc3ccccc3)[C@@H](O)[C@H]2O1 ZINC000032106915 395709464 /nfs/dbraw/zinc/70/94/64/395709464.db2.gz JXTWYFIXSGTWRN-NJVJYBDUSA-N 0 0 310.346 0.801 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1O ZINC000089408406 395710924 /nfs/dbraw/zinc/71/09/24/395710924.db2.gz KINFNNIACFRCCN-RISCZKNCSA-N 0 0 301.346 0.626 10 0 DCAERN C[C@@H]1c2cccn2CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489192 395711210 /nfs/dbraw/zinc/71/12/10/395711210.db2.gz TUDNRFDHGVEKST-CHWSQXEVSA-N 0 0 304.394 0.589 10 0 DCAERN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(C(N)=O)CC1 ZINC000033002167 395715544 /nfs/dbraw/zinc/71/55/44/395715544.db2.gz 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/nfs/dbraw/zinc/73/57/79/395735779.db2.gz MEZPALMCEVXCJV-TVQRCGJNSA-N 0 0 324.406 0.668 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C[C@@H]1O ZINC000093051711 395735824 /nfs/dbraw/zinc/73/58/24/395735824.db2.gz RXVSPPRVVPNHRA-HZMBPMFUSA-N 0 0 324.402 0.364 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C[C@@H]1O ZINC000093348384 395738475 /nfs/dbraw/zinc/73/84/75/395738475.db2.gz MFFXMBRQBZJDDK-RYUDHWBXSA-N 0 0 307.398 0.917 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1F ZINC000041600979 395738488 /nfs/dbraw/zinc/73/84/88/395738488.db2.gz QGVNELUEBKBWOI-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN CCCN(CCO)C(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000042358647 395744221 /nfs/dbraw/zinc/74/42/21/395744221.db2.gz GTVUVOWVJPDREK-GFCCVEGCSA-N 0 0 306.428 0.422 10 0 DCAERN OC[C@H]1O[C@@H](OCCCCC2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106382342 395782965 /nfs/dbraw/zinc/78/29/65/395782965.db2.gz PZPARHKVNAJBDB-DGXTUMSLSA-N 0 0 318.410 0.554 10 0 DCAERN 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/nfs/dbraw/zinc/83/45/88/395834588.db2.gz FIASNRBZFIFHKN-NSHDSACASA-N 0 0 301.339 0.850 10 0 DCAERN COc1ccnc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000116198707 395842358 /nfs/dbraw/zinc/84/23/58/395842358.db2.gz HFELPEXMAPOXBN-ZDUSSCGKSA-N 0 0 302.334 0.828 10 0 DCAERN CN1CC[C@@H](N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000116278265 395842874 /nfs/dbraw/zinc/84/28/74/395842874.db2.gz HLCGVXKBNXFGHK-OAHLLOKOSA-N 0 0 319.453 0.986 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000116834470 395846966 /nfs/dbraw/zinc/84/69/66/395846966.db2.gz UHJDSGGWUJCMFG-NSHDSACASA-N 0 0 300.355 0.898 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2ccccc2O)C1 ZINC000116835823 395847750 /nfs/dbraw/zinc/84/77/50/395847750.db2.gz JPUSTPYURGSYLB-LBPRGKRZSA-N 0 0 312.391 0.475 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000116982154 395850069 /nfs/dbraw/zinc/85/00/69/395850069.db2.gz MGMWCBYJJVOJGI-SECBINFHSA-N 0 0 318.782 0.809 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000116982195 395850151 /nfs/dbraw/zinc/85/01/51/395850151.db2.gz ZCMIKOZIJJJPIX-VIFPVBQESA-N 0 0 318.782 0.809 10 0 DCAERN CCN(CC[NH+](C)C)C(=O)CNCc1cc(C(=O)[O-])ccn1 ZINC000222072304 395851313 /nfs/dbraw/zinc/85/13/13/395851313.db2.gz RGGMVQDDHDCRDM-UHFFFAOYSA-N 0 0 308.382 0.280 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000117815282 395855385 /nfs/dbraw/zinc/85/53/85/395855385.db2.gz JVBANKVWKGMRPD-ZDUSSCGKSA-N 0 0 316.361 0.949 10 0 DCAERN Clc1cncc(N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000108947020 395795582 /nfs/dbraw/zinc/79/55/82/395795582.db2.gz BKMMDNRKAYAJMD-UHFFFAOYSA-N 0 0 316.756 0.894 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1 ZINC000194566641 395799890 /nfs/dbraw/zinc/79/98/90/395799890.db2.gz XUIHGWSWNZYACR-VIFPVBQESA-N 0 0 309.288 0.036 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604428 395801392 /nfs/dbraw/zinc/80/13/92/395801392.db2.gz VVZHEHRYZQKZRC-LLVKDONJSA-N 0 0 304.325 0.829 10 0 DCAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2cc[nH]n2)CC1 ZINC000122720648 395888920 /nfs/dbraw/zinc/88/89/20/395888920.db2.gz XWVRYCAQZUEIGZ-MRXNPFEDSA-N 0 0 316.405 0.967 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000123301188 395893559 /nfs/dbraw/zinc/89/35/59/395893559.db2.gz GZXHEZSQFARYBK-WCQYABFASA-N 0 0 305.382 0.431 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000245470545 395930173 /nfs/dbraw/zinc/93/01/73/395930173.db2.gz WMSJODYZBLZHSR-LBPRGKRZSA-N 0 0 302.400 0.089 10 0 DCAERN C[C@H](O)CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000125974363 395908452 /nfs/dbraw/zinc/90/84/52/395908452.db2.gz QAZJOHYESIRIOK-NJZAAPMLSA-N 0 0 305.378 0.830 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000126033298 395909073 /nfs/dbraw/zinc/90/90/73/395909073.db2.gz SNLQHWAALAXPMZ-CYBMUJFWSA-N 0 0 316.361 0.641 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000056442439 395930751 /nfs/dbraw/zinc/93/07/51/395930751.db2.gz HXIYTOYKFOBGKV-UHFFFAOYSA-N 0 0 323.418 0.947 10 0 DCAERN O=C(CSCC(=O)Nc1ccc(F)cc1)NCCCO ZINC000128333568 395917647 /nfs/dbraw/zinc/91/76/47/395917647.db2.gz XFLZOYZLKOHXLW-UHFFFAOYSA-N 0 0 300.355 0.996 10 0 DCAERN CN1C[C@H](NC(=O)NCCC(=O)Nc2ccccc2)CCC1=O ZINC000128679427 395918127 /nfs/dbraw/zinc/91/81/27/395918127.db2.gz GHERCRFSIKXNFI-CYBMUJFWSA-N 0 0 318.377 0.935 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC000134492307 395931241 /nfs/dbraw/zinc/93/12/41/395931241.db2.gz FDYILWCSKUBZCA-SKDRFNHKSA-N 0 0 304.350 0.482 10 0 DCAERN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCC[C@@H](C)O ZINC000118718583 395863688 /nfs/dbraw/zinc/86/36/88/395863688.db2.gz KRTRRTIHWRHMQS-YGRLFVJLSA-N 0 0 321.356 0.792 10 0 DCAERN CSC[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000132679433 395927699 /nfs/dbraw/zinc/92/76/99/395927699.db2.gz YYDNNHJBVPFTBA-NWDGAFQWSA-N 0 0 302.440 0.864 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000228060269 395870530 /nfs/dbraw/zinc/87/05/30/395870530.db2.gz QNHGUCKUZLUPMH-ZETCQYMHSA-N 0 0 307.759 0.257 10 0 DCAERN O=C1C[C@H](NCc2ccc(I)o2)CN1 ZINC000228928889 395873238 /nfs/dbraw/zinc/87/32/38/395873238.db2.gz YUKABTBYAFWVES-LURJTMIESA-N 0 0 306.103 0.862 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CCC1=O ZINC000119853370 395877171 /nfs/dbraw/zinc/87/71/71/395877171.db2.gz QTMDQUORZWTHIU-BBRMVZONSA-N 0 0 323.368 0.953 10 0 DCAERN CCc1cc(NC(=O)CCNS(=O)(=O)c2cccnc2)n[nH]1 ZINC000120709069 395881946 /nfs/dbraw/zinc/88/19/46/395881946.db2.gz IWIOYLDPFGCTBV-UHFFFAOYSA-N 0 0 323.378 0.674 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cnn(CC(N)=O)c1)C(C)C ZINC000053414495 395883363 /nfs/dbraw/zinc/88/33/63/395883363.db2.gz YSIVMRWXWDEINP-AWEZNQCLSA-N 0 0 323.397 0.494 10 0 DCAERN CCc1nnc(C)cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000273593438 395932358 /nfs/dbraw/zinc/93/23/58/395932358.db2.gz KDSYZDBJRWYBTQ-SNVBAGLBSA-N 0 0 312.395 0.111 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000245716836 395935290 /nfs/dbraw/zinc/93/52/90/395935290.db2.gz CXEKPWBWRUMODZ-KGLIPLIRSA-N 0 0 308.378 0.229 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000245779886 395936005 /nfs/dbraw/zinc/93/60/05/395936005.db2.gz ZVOZLXCUSDAENL-FRRDWIJNSA-N 0 0 320.455 0.714 10 0 DCAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000135574701 395941112 /nfs/dbraw/zinc/94/11/12/395941112.db2.gz DACYHCNQMOFLGI-BXUZGUMPSA-N 0 0 324.425 0.329 10 0 DCAERN CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)CO)c1 ZINC000135526296 395941513 /nfs/dbraw/zinc/94/15/13/395941513.db2.gz XQZOHHDNUAQZTM-JTQLQIEISA-N 0 0 300.380 0.955 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)NCCn2cc(C)cn2)c1CC ZINC000135653392 395942417 /nfs/dbraw/zinc/94/24/17/395942417.db2.gz UVSWQNAWCSBXNG-UHFFFAOYSA-N 0 0 303.366 0.830 10 0 DCAERN O=C(CN1CCCN(c2ccccn2)CC1)NC[C@H]1CCCO1 ZINC000248889256 395999291 /nfs/dbraw/zinc/99/92/91/395999291.db2.gz RRXPWPVYJKQDAY-OAHLLOKOSA-N 0 0 318.421 0.889 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000246361881 395947996 /nfs/dbraw/zinc/94/79/96/395947996.db2.gz KIBFDNPBARPJLN-RWMBFGLXSA-N 0 0 312.414 0.641 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000246393754 395949176 /nfs/dbraw/zinc/94/91/76/395949176.db2.gz IGQJIIZOQONCET-BPNCWPANSA-N 0 0 306.362 0.948 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000246406624 395949191 /nfs/dbraw/zinc/94/91/91/395949191.db2.gz YMXGMENKZFYYSR-MELADBBJSA-N 0 0 304.346 0.511 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000246453445 395950782 /nfs/dbraw/zinc/95/07/82/395950782.db2.gz OVQSVHKVZBXMEY-ZIAGYGMSSA-N 0 0 311.357 0.489 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2ccco2)C[C@H]1N1CCOCC1 ZINC000246564457 395952464 /nfs/dbraw/zinc/95/24/64/395952464.db2.gz VDDDHQAZAZUPLC-DZGCQCFKSA-N 0 0 307.394 0.548 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000274555180 395957910 /nfs/dbraw/zinc/95/79/10/395957910.db2.gz ICYUNZSBQPWOKR-UHFFFAOYSA-N 0 0 300.384 0.144 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000246886320 395960448 /nfs/dbraw/zinc/96/04/48/395960448.db2.gz DPVAQUHJLIMWPW-HUUCEWRRSA-N 0 0 306.362 0.623 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)N1CCOCC1 ZINC000246924004 395960964 /nfs/dbraw/zinc/96/09/64/395960964.db2.gz KMBBRZKCBBOBTH-ILXRZTDVSA-N 0 0 311.426 0.918 10 0 DCAERN CN(CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)S(C)(=O)=O ZINC000246981739 395962487 /nfs/dbraw/zinc/96/24/87/395962487.db2.gz IWXNRRKCTNYWOZ-WCQYABFASA-N 0 0 304.412 0.031 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@@H](C)COC[C@@H]1C)C(=O)OC ZINC000247014380 395963762 /nfs/dbraw/zinc/96/37/62/395963762.db2.gz IWVCTYASWWGCQB-MNXVOIDGSA-N 0 0 300.399 0.800 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247037528 395964318 /nfs/dbraw/zinc/96/43/18/395964318.db2.gz DMZKQVJZOXHFEW-GJZGRUSLSA-N 0 0 315.458 0.570 10 0 DCAERN COCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C[C@@H]1C ZINC000247052284 395964465 /nfs/dbraw/zinc/96/44/65/395964465.db2.gz JQNXSVFQFVZKJW-SOUVJXGZSA-N 0 0 314.426 0.750 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247228662 395969361 /nfs/dbraw/zinc/96/93/61/395969361.db2.gz YEARWMYSSXMVBJ-SNVBAGLBSA-N 0 0 303.388 0.073 10 0 DCAERN C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243415 395969617 /nfs/dbraw/zinc/96/96/17/395969617.db2.gz XCOFYXSKEJDSLY-WCQYABFASA-N 0 0 311.407 0.637 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cc12 ZINC000150276705 395970995 /nfs/dbraw/zinc/97/09/95/395970995.db2.gz LUFSPYNFYUJDQQ-SCZZXKLOSA-N 0 0 301.350 0.992 10 0 DCAERN COc1cccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150739421 395972055 /nfs/dbraw/zinc/97/20/55/395972055.db2.gz CMVMUQMTMJYURC-UHFFFAOYSA-N 0 0 303.318 0.274 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000150835415 395973680 /nfs/dbraw/zinc/97/36/80/395973680.db2.gz PPDCFZYIWHDXJA-UONOGXRCSA-N 0 0 305.382 0.887 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000151141407 395979732 /nfs/dbraw/zinc/97/97/32/395979732.db2.gz XIAMIMDWJDZDCF-NEPJUHHUSA-N 0 0 308.378 0.948 10 0 DCAERN COCCCN(C[C@@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248395999 395986454 /nfs/dbraw/zinc/98/64/54/395986454.db2.gz PLFAYQLOMGWJJL-VHSXEESVSA-N 0 0 319.345 0.435 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248463441 395989177 /nfs/dbraw/zinc/98/91/77/395989177.db2.gz AOTXOVIWGXXBII-STQMWFEESA-N 0 0 308.444 0.130 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075235 396001759 /nfs/dbraw/zinc/00/17/59/396001759.db2.gz RTLIAZLJSHWNRJ-DLBZAZTESA-N 0 0 322.453 0.921 10 0 DCAERN NC(=O)[C@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248589933 395990627 /nfs/dbraw/zinc/99/06/27/395990627.db2.gz ZAMIGZDVRYMSEF-VXGBXAGGSA-N 0 0 302.733 0.699 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000248661101 395993288 /nfs/dbraw/zinc/99/32/88/395993288.db2.gz ZYKCIUCOPHSHBH-FRRDWIJNSA-N 0 0 306.428 0.435 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC000276412667 395994640 /nfs/dbraw/zinc/99/46/40/395994640.db2.gz PKQKPKHPNGXHRF-QRTLGDNMSA-N 0 0 306.318 0.792 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000248822097 395997791 /nfs/dbraw/zinc/99/77/91/395997791.db2.gz VZOBWERPWGVEBF-HUUCEWRRSA-N 0 0 322.409 0.572 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000068096998 300033816 /nfs/dbraw/zinc/03/38/16/300033816.db2.gz JRBGNRKGIDOGAT-WDEREUQCSA-N 0 0 316.423 0.456 10 0 DCAERN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCNC(=O)CC1 ZINC000154030553 396029948 /nfs/dbraw/zinc/02/99/48/396029948.db2.gz KXDQHNXFYLQESS-LBPRGKRZSA-N 0 0 309.410 0.810 10 0 DCAERN CCOCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154134241 396032441 /nfs/dbraw/zinc/03/24/41/396032441.db2.gz OBXYRAGKUWPALD-ZIAGYGMSSA-N 0 0 324.425 0.947 10 0 DCAERN CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000261619590 396049790 /nfs/dbraw/zinc/04/97/90/396049790.db2.gz AQXJFYZPPYURJP-UHFFFAOYSA-N 0 0 313.405 0.736 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000155959903 396060307 /nfs/dbraw/zinc/06/03/07/396060307.db2.gz ADTVIZLOUVGDQF-IUCAKERBSA-N 0 0 308.363 0.447 10 0 DCAERN COCCS(=O)(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000261822130 396069230 /nfs/dbraw/zinc/06/92/30/396069230.db2.gz YADDOXZFVRLGCX-CYBMUJFWSA-N 0 0 314.407 0.618 10 0 DCAERN CCc1cccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000152206455 396003043 /nfs/dbraw/zinc/00/30/43/396003043.db2.gz NVGUPOPULJHCOE-CQSZACIVSA-N 0 0 310.419 0.942 10 0 DCAERN C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H](O)C[C@@H]1CO ZINC000249296816 396005369 /nfs/dbraw/zinc/00/53/69/396005369.db2.gz MVEDNHIRKIZWLY-UPJWGTAASA-N 0 0 315.373 0.989 10 0 DCAERN COCCO[C@@H]1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000249367028 396006984 /nfs/dbraw/zinc/00/69/84/396006984.db2.gz MSTXXKOKRHGXNC-ZIAGYGMSSA-N 0 0 322.409 0.571 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H]1COCCN1CC1CCC1 ZINC000249630621 396010520 /nfs/dbraw/zinc/01/05/20/396010520.db2.gz VCYAKBXOEGWEHJ-BNOWGMLFSA-N 0 0 309.410 0.128 10 0 DCAERN NC(=O)C1CCC(NC(=O)CN2CCCCCCC2=O)CC1 ZINC000066635038 396011994 /nfs/dbraw/zinc/01/19/94/396011994.db2.gz LDGPZAFVTPKEGE-UHFFFAOYSA-N 0 0 309.410 0.939 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)C[C@H](C)O1 ZINC000251695872 396016790 /nfs/dbraw/zinc/01/67/90/396016790.db2.gz JRPPVSSPVKJFQD-SRVKXCTJSA-N 0 0 309.370 0.558 10 0 DCAERN CC(C)C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCOCC1 ZINC000152888839 396017983 /nfs/dbraw/zinc/01/79/83/396017983.db2.gz LGSWGQOZSNFFRD-AWEZNQCLSA-N 0 0 307.394 0.852 10 0 DCAERN Nc1snnc1Cn1cc(I)cn1 ZINC000070678760 396103186 /nfs/dbraw/zinc/10/31/86/396103186.db2.gz BAMRGXZWLYDHAB-UHFFFAOYSA-N 0 0 307.120 0.970 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000262144482 396103638 /nfs/dbraw/zinc/10/36/38/396103638.db2.gz HJTNHZRSLUDZSF-CJNGLKHVSA-N 0 0 323.437 0.614 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)CC2 ZINC000171089479 396106344 /nfs/dbraw/zinc/10/63/44/396106344.db2.gz OXBQQGKAJCBLIC-LLVKDONJSA-N 0 0 322.413 0.457 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCC3CC3)C2)n(C)n1 ZINC000278118139 396106723 /nfs/dbraw/zinc/10/67/23/396106723.db2.gz LMHSAYWBMWQWTA-ZDUSSCGKSA-N 0 0 319.409 0.340 10 0 DCAERN COc1ccccc1[C@@H]1C[NH2+]CCN1CCNS(C)(=O)=O ZINC000262208778 396110519 /nfs/dbraw/zinc/11/05/19/396110519.db2.gz LKNTYIKXHRLDLH-ZDUSSCGKSA-N 0 0 313.423 0.191 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286922 396112964 /nfs/dbraw/zinc/11/29/64/396112964.db2.gz NANVJSQCVLLIEV-SNVBAGLBSA-N 0 0 319.390 0.661 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CN2CCCS2(=O)=O)cn1 ZINC000171349420 396114494 /nfs/dbraw/zinc/11/44/94/396114494.db2.gz VESGOCMALBECIW-GFCCVEGCSA-N 0 0 312.395 0.119 10 0 DCAERN COC(C)(C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000171600055 396119780 /nfs/dbraw/zinc/11/97/80/396119780.db2.gz WZZKHBKWBWJPMJ-UHFFFAOYSA-N 0 0 319.405 0.876 10 0 DCAERN O=C(N[C@H]1CCCOC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000171615289 396120611 /nfs/dbraw/zinc/12/06/11/396120611.db2.gz XQWBHFDVTFAQHY-LBPRGKRZSA-N 0 0 307.350 0.926 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCCOC1 ZINC000171682652 396122650 /nfs/dbraw/zinc/12/26/50/396122650.db2.gz SJEPQUHQIXXAAK-SNVBAGLBSA-N 0 0 315.167 0.906 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278960492 396143096 /nfs/dbraw/zinc/14/30/96/396143096.db2.gz NLCNGFZFQNCIPL-BONVTDFDSA-N 0 0 321.402 0.605 10 0 DCAERN Cc1cnc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000172716973 396133234 /nfs/dbraw/zinc/13/32/34/396133234.db2.gz CVOASKHEOLHONC-UHFFFAOYSA-N 0 0 318.362 0.211 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173801512 396136416 /nfs/dbraw/zinc/13/64/16/396136416.db2.gz HUFSNSPJLYNSRS-OCCSQVGLSA-N 0 0 321.425 0.906 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000174910689 396139437 /nfs/dbraw/zinc/13/94/37/396139437.db2.gz MKJBMEPLPDVXAJ-YNEHKIRRSA-N 0 0 319.471 0.934 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)CC2 ZINC000162195759 396079117 /nfs/dbraw/zinc/07/91/17/396079117.db2.gz DEZMQONXBSVPKI-XHDPSFHLSA-N 0 0 307.398 0.712 10 0 DCAERN O=c1[n-]cnc(NC[C@H]2CCCO2)c1I ZINC000162143520 396079147 /nfs/dbraw/zinc/07/91/47/396079147.db2.gz IABBJVPPEFDWQX-ZCFIWIBFSA-N 0 0 321.118 0.965 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)[nH]1 ZINC000162337779 396080269 /nfs/dbraw/zinc/08/02/69/396080269.db2.gz PSLGAAPYLHVARL-SECBINFHSA-N 0 0 316.308 0.563 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263222551 396206856 /nfs/dbraw/zinc/20/68/56/396206856.db2.gz MDQBUKHWRGESMY-QWRGUYRKSA-N 0 0 303.353 0.891 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)c1nnnn1-c1ccccc1 ZINC000263229057 396207688 /nfs/dbraw/zinc/20/76/88/396207688.db2.gz NEJCXPFWILQEFZ-MWLCHTKSSA-N 0 0 322.319 0.837 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1nnnn1-c1ccccc1 ZINC000263229058 396207709 /nfs/dbraw/zinc/20/77/09/396207709.db2.gz NEJCXPFWILQEFZ-ONGXEEELSA-N 0 0 322.319 0.837 10 0 DCAERN CC[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)OC ZINC000176190312 396150548 /nfs/dbraw/zinc/15/05/48/396150548.db2.gz LQNCWQXOOBDVKA-HUUCEWRRSA-N 0 0 320.389 0.955 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000176274063 396153031 /nfs/dbraw/zinc/15/30/31/396153031.db2.gz QEJSUAFGSFUANG-ZIAGYGMSSA-N 0 0 315.377 0.668 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074463735 396167193 /nfs/dbraw/zinc/16/71/93/396167193.db2.gz YSPBQBJSJGWUAN-OSAQELSMSA-N 0 0 303.362 0.848 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000074490157 396167661 /nfs/dbraw/zinc/16/76/61/396167661.db2.gz VXIRAKXIDSRBDY-JHJVBQTASA-N 0 0 311.407 0.918 10 0 DCAERN C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@@H]1N1CCOCC1 ZINC000177230594 396169973 /nfs/dbraw/zinc/16/99/73/396169973.db2.gz AJUDANLRIVVWKV-HIFRSBDPSA-N 0 0 301.394 0.882 10 0 DCAERN CNC(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)nn1 ZINC000074738591 396171130 /nfs/dbraw/zinc/17/11/30/396171130.db2.gz FMKZFHWNMRPWEG-UHFFFAOYSA-N 0 0 303.288 0.521 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2ccc(C(N)=O)cc2)n1 ZINC000263280352 396211248 /nfs/dbraw/zinc/21/12/48/396211248.db2.gz UDNPSGKUMLYAHE-WXJAXGNASA-N 0 0 313.361 0.915 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C2CC2)CC1 ZINC000279492061 396179344 /nfs/dbraw/zinc/17/93/44/396179344.db2.gz JHNGGEUYSWAKLU-QGZVFWFLSA-N 0 0 319.405 0.214 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000177800051 396183536 /nfs/dbraw/zinc/18/35/36/396183536.db2.gz VJLNNCMAFXXQBJ-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CC(F)(F)CN1 ZINC000262944958 396193510 /nfs/dbraw/zinc/19/35/10/396193510.db2.gz JCIVUSHBUUNMLV-NSHDSACASA-N 0 0 312.320 0.854 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263040951 396198977 /nfs/dbraw/zinc/19/89/77/396198977.db2.gz SUBBTJBDMVEKTM-NEPJUHHUSA-N 0 0 315.364 0.748 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000076470963 396204609 /nfs/dbraw/zinc/20/46/09/396204609.db2.gz HMMZQPSRSOPRPK-LLVKDONJSA-N 0 0 301.350 0.979 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000178694122 396204881 /nfs/dbraw/zinc/20/48/81/396204881.db2.gz FMBXNNHACFYIEN-UHFFFAOYSA-N 0 0 321.402 0.992 10 0 DCAERN O=C(NCCNC(=O)c1scnc1C1CC1)c1ccn[nH]1 ZINC000180905304 396235163 /nfs/dbraw/zinc/23/51/63/396235163.db2.gz RCFFZSMDJOBHDJ-UHFFFAOYSA-N 0 0 305.363 0.903 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000181702355 396241550 /nfs/dbraw/zinc/24/15/50/396241550.db2.gz QVWUUJNYFDXAPD-AWEZNQCLSA-N 0 0 306.391 0.755 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cc(F)cc(F)c1 ZINC000181779681 396242315 /nfs/dbraw/zinc/24/23/15/396242315.db2.gz DNFHTKMYXHFVNJ-UHFFFAOYSA-N 0 0 309.276 0.701 10 0 DCAERN O=S1(=O)N=C(NCCCCn2cnnc2)c2ccccc21 ZINC000078509569 396246609 /nfs/dbraw/zinc/24/66/09/396246609.db2.gz MCUOACLCFJGYEQ-UHFFFAOYSA-N 0 0 305.363 0.797 10 0 DCAERN CC[C@H]1CN(C(=O)NCCCn2ccnn2)CC[N@@H+]1C[C@@H](C)O ZINC000182479433 396250620 /nfs/dbraw/zinc/25/06/20/396250620.db2.gz KZNKVQYRWWLXOO-KGLIPLIRSA-N 0 0 324.429 0.155 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000182485756 396251703 /nfs/dbraw/zinc/25/17/03/396251703.db2.gz ALNMQVPZFJHIPA-JTQLQIEISA-N 0 0 314.407 0.861 10 0 DCAERN O=C(NCCCn1ccnn1)c1cn(Cc2cccs2)nn1 ZINC000182988362 396258228 /nfs/dbraw/zinc/25/82/28/396258228.db2.gz OAQNPKZCMGLEDO-UHFFFAOYSA-N 0 0 317.378 0.800 10 0 DCAERN O=C(NCCCn1ccnn1)c1cn(Cc2ccccc2)nn1 ZINC000182995515 396258524 /nfs/dbraw/zinc/25/85/24/396258524.db2.gz IEQVHXZVPMVNHL-UHFFFAOYSA-N 0 0 311.349 0.738 10 0 DCAERN O=C(CCNC(=O)c1ccsc1)NCCCn1ccnn1 ZINC000183013253 396258849 /nfs/dbraw/zinc/25/88/49/396258849.db2.gz DITYNTWRMXFTPT-UHFFFAOYSA-N 0 0 307.379 0.666 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cc(F)ccc1F ZINC000183159350 396263321 /nfs/dbraw/zinc/26/33/21/396263321.db2.gz CWKOALSVNUXAHC-UHFFFAOYSA-N 0 0 302.306 0.925 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N(CCO)C1CC1 ZINC000079548444 396266677 /nfs/dbraw/zinc/26/66/77/396266677.db2.gz FJDFAVTXNQVOII-LBPRGKRZSA-N 0 0 305.382 0.612 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)c1cccc(-n2cnnn2)c1 ZINC000079664142 396268815 /nfs/dbraw/zinc/26/88/15/396268815.db2.gz SRJAGJMQZBLZEG-UHFFFAOYSA-N 0 0 324.348 0.173 10 0 DCAERN O=S(=O)(CC[NH2+][C@@H]1CCCSC1)NC[C@@H]1CCCCO1 ZINC000183601066 396271707 /nfs/dbraw/zinc/27/17/07/396271707.db2.gz VJQQONNFWCGABV-OLZOCXBDSA-N 0 0 322.496 0.960 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000183587640 396272085 /nfs/dbraw/zinc/27/20/85/396272085.db2.gz PQOPHMPZXAPMTL-QWHCGFSZSA-N 0 0 306.410 0.675 10 0 DCAERN CNc1nnc(CC(=O)N2CCN(CCOC)[C@@H](C)C2)s1 ZINC000183675548 396273338 /nfs/dbraw/zinc/27/33/38/396273338.db2.gz MDCTWVQNGGGVLM-JTQLQIEISA-N 0 0 313.427 0.301 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cccs2)C(=O)C1)S(C)(=O)=O ZINC000184067180 396283404 /nfs/dbraw/zinc/28/34/04/396283404.db2.gz ATKNNCADRQLYJC-SECBINFHSA-N 0 0 316.404 0.356 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)c3nc[nH]n3)no2)c1 ZINC000178977970 396216633 /nfs/dbraw/zinc/21/66/33/396216633.db2.gz SONCHVXSUYVKOB-VIFPVBQESA-N 0 0 301.310 0.837 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCCCc2ccccn2)co1 ZINC000179068606 396220547 /nfs/dbraw/zinc/22/05/47/396220547.db2.gz YNXLFVVHEAPQFF-UHFFFAOYSA-N 0 0 323.374 0.945 10 0 DCAERN NC(=O)c1csc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263567739 396220737 /nfs/dbraw/zinc/22/07/37/396220737.db2.gz XTOIPSFESDJMBG-UHFFFAOYSA-N 0 0 324.406 0.982 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179177258 396223388 /nfs/dbraw/zinc/22/33/88/396223388.db2.gz GUGPRPPXCSEVIR-VXGBXAGGSA-N 0 0 304.346 0.100 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000184027122 396280820 /nfs/dbraw/zinc/28/08/20/396280820.db2.gz CQNKAKLTEBUIKS-NSHDSACASA-N 0 0 307.281 0.480 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCO[C@]2(CCOC2)C1 ZINC000185183000 396320745 /nfs/dbraw/zinc/32/07/45/396320745.db2.gz SYDSFPLBKABSCO-MRXNPFEDSA-N 0 0 314.426 0.657 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000265475004 396320792 /nfs/dbraw/zinc/32/07/92/396320792.db2.gz ZWNCZWYEUHZDBU-SSDOTTSWSA-N 0 0 319.412 0.256 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000185006042 396314428 /nfs/dbraw/zinc/31/44/28/396314428.db2.gz PIVFEDFURUCPRT-YBYGRFCBSA-N 0 0 302.371 0.884 10 0 DCAERN O=C(CCn1cncn1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185031317 396314972 /nfs/dbraw/zinc/31/49/72/396314972.db2.gz TXWFUNJTHWISFG-CYBMUJFWSA-N 0 0 314.349 0.375 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)C1(O)CCCC1 ZINC000185032553 396315169 /nfs/dbraw/zinc/31/51/69/396315169.db2.gz SPMNDZQLWLQJIG-CYBMUJFWSA-N 0 0 303.362 0.998 10 0 DCAERN C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C)CC(=O)N1C ZINC000283205340 396318620 /nfs/dbraw/zinc/31/86/20/396318620.db2.gz PPDWGTAGZWFQCM-LLVKDONJSA-N 0 0 300.366 0.468 10 0 DCAERN 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PBZLEMPHDZONMC-RYUDHWBXSA-N 0 0 320.480 0.773 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)NC1(CO)CCC1 ZINC000185520162 396329433 /nfs/dbraw/zinc/32/94/33/396329433.db2.gz IFIXWDATOGENBY-GFCCVEGCSA-N 0 0 305.382 0.660 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)N2CCc3c2cccc3F)n1 ZINC000185671606 396332581 /nfs/dbraw/zinc/33/25/81/396332581.db2.gz URUDFORGNAANCW-UHFFFAOYSA-N 0 0 318.308 0.765 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666236 396332587 /nfs/dbraw/zinc/33/25/87/396332587.db2.gz VYSWIUPTWAHDCM-LLVKDONJSA-N 0 0 321.352 0.162 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CCO1 ZINC000185671981 396332837 /nfs/dbraw/zinc/33/28/37/396332837.db2.gz GJEGLZVEFDNDEE-LLVKDONJSA-N 0 0 321.381 0.969 10 0 DCAERN CCOC(=O)CN(CCc1ccccc1)C(=O)CC(=O)NC ZINC000185943895 396337549 /nfs/dbraw/zinc/33/75/49/396337549.db2.gz IDPDHGIWLVBKGY-UHFFFAOYSA-N 0 0 306.362 0.757 10 0 DCAERN Cn1nc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1OC(F)F ZINC000186077097 396340426 /nfs/dbraw/zinc/34/04/26/396340426.db2.gz XGRRRHRPUHZZNF-CYBMUJFWSA-N 0 0 317.292 0.653 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCC(=O)N2CCOCC2)s1 ZINC000265668059 396335712 /nfs/dbraw/zinc/33/57/12/396335712.db2.gz QOYBDONMTHURHO-UHFFFAOYSA-N 0 0 311.363 0.923 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000186204075 396344447 /nfs/dbraw/zinc/34/44/47/396344447.db2.gz DPFWXMHEDFIBLL-STQMWFEESA-N 0 0 316.357 0.766 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000186209363 396345211 /nfs/dbraw/zinc/34/52/11/396345211.db2.gz DKHVNQJTLACWFR-LBPRGKRZSA-N 0 0 322.413 0.166 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186224293 396345590 /nfs/dbraw/zinc/34/55/90/396345590.db2.gz AVZVPIDOHVQWGK-CYBMUJFWSA-N 0 0 313.423 0.346 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CC(=O)N1C ZINC000283684041 396343249 /nfs/dbraw/zinc/34/32/49/396343249.db2.gz ZLKNKHUSGNVTJK-NEPJUHHUSA-N 0 0 305.382 0.105 10 0 DCAERN Cn1cc(CCN2CCN(c3ccc4nncn4n3)CC2)cn1 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COC[C@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000187384091 396368518 /nfs/dbraw/zinc/36/85/18/396368518.db2.gz GWVQVAYMEGTJMV-GFCCVEGCSA-N 0 0 317.411 0.405 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)[nH]n1 ZINC000187624615 396372137 /nfs/dbraw/zinc/37/21/37/396372137.db2.gz IDXFWJQMKARBCX-SECBINFHSA-N 0 0 305.382 0.569 10 0 DCAERN C[C@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)CCN1CCO ZINC000187676113 396372388 /nfs/dbraw/zinc/37/23/88/396372388.db2.gz PJSLVXQGPDLGQO-XJKSGUPXSA-N 0 0 321.396 0.929 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000187706650 396372844 /nfs/dbraw/zinc/37/28/44/396372844.db2.gz XFKMKLQMHITCKN-UHFFFAOYSA-N 0 0 317.393 0.568 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000186423801 396349093 /nfs/dbraw/zinc/34/90/93/396349093.db2.gz ZWJBQJATYIQZPE-HNNXBMFYSA-N 0 0 309.366 0.588 10 0 DCAERN C[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1N1CCOCC1 ZINC000266130660 396350829 /nfs/dbraw/zinc/35/08/29/396350829.db2.gz DDZMLFQWINTNPB-STQMWFEESA-N 0 0 315.377 0.522 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285595077 396351092 /nfs/dbraw/zinc/35/10/92/396351092.db2.gz RBEPZVRHCZFZEJ-YNZJMPHRSA-N 0 0 320.345 0.054 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2CCCc3c(O)cccc32)[C@@H]1C(N)=O ZINC000285674529 396351234 /nfs/dbraw/zinc/35/12/34/396351234.db2.gz YLZYPGBUKPBOIW-YVLXSGLVSA-N 0 0 318.373 0.913 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc3c(c2O)CCCC3)[C@@H]1C(N)=O ZINC000285600835 396351420 /nfs/dbraw/zinc/35/14/20/396351420.db2.gz UKSOFZUGAIQJPI-YGRLFVJLSA-N 0 0 318.373 0.986 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)C1 ZINC000188561782 396383635 /nfs/dbraw/zinc/38/36/35/396383635.db2.gz BVCZNEAJIJDDKI-UHFFFAOYSA-N 0 0 323.418 0.578 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCN1CCO ZINC000188693683 396384895 /nfs/dbraw/zinc/38/48/95/396384895.db2.gz JDNRUWUPDVQUHY-ABAIWWIYSA-N 0 0 308.353 0.654 10 0 DCAERN CC(=O)N1CC(C(=O)N2Cc3cnnn3Cc3ccccc32)C1 ZINC000188688037 396385051 /nfs/dbraw/zinc/38/50/51/396385051.db2.gz RKKXZXZMOPLLPK-UHFFFAOYSA-N 0 0 311.345 0.651 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188792768 396386588 /nfs/dbraw/zinc/38/65/88/396386588.db2.gz LFLZYJCTSGZWLG-LLVKDONJSA-N 0 0 313.423 0.133 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000188869319 396387668 /nfs/dbraw/zinc/38/76/68/396387668.db2.gz XJJDYAYFDVIXFR-GFCCVEGCSA-N 0 0 318.377 0.329 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188890719 396388124 /nfs/dbraw/zinc/38/81/24/396388124.db2.gz FJBRMVYPPPDBJT-GFCCVEGCSA-N 0 0 313.357 0.850 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000189013830 396389818 /nfs/dbraw/zinc/38/98/18/396389818.db2.gz BUSWCNQCUGHAFC-GVDBMIGSSA-N 0 0 316.401 0.984 10 0 DCAERN C[C@H](c1nnnn1C)N1CCC(c2ccnn2CCO)CC1 ZINC000188995824 396390007 /nfs/dbraw/zinc/39/00/07/396390007.db2.gz VVKAFDJVFKSGAX-LLVKDONJSA-N 0 0 305.386 0.340 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n[nH]1 ZINC000189176447 396391080 /nfs/dbraw/zinc/39/10/80/396391080.db2.gz PNLLKKVKWDJONF-UHFFFAOYSA-N 0 0 316.427 0.595 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189208060 396392342 /nfs/dbraw/zinc/39/23/42/396392342.db2.gz WJRAFUJYKAGFBK-YVECIDJPSA-N 0 0 300.424 0.759 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)C(C)C ZINC000189414492 396394943 /nfs/dbraw/zinc/39/49/43/396394943.db2.gz RKMIFAGHUJNKQW-HNNXBMFYSA-N 0 0 323.437 0.910 10 0 DCAERN CCNC(=O)NC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189642611 396397199 /nfs/dbraw/zinc/39/71/99/396397199.db2.gz JUHADDGESXWDMB-UHFFFAOYSA-N 0 0 320.397 0.255 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCCN(C)C(=O)C1 ZINC000189760496 396398499 /nfs/dbraw/zinc/39/84/99/396398499.db2.gz NNJPCEXUKYKOEC-UHFFFAOYSA-N 0 0 303.362 0.416 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCCN(C)C(=O)C1 ZINC000189778474 396398866 /nfs/dbraw/zinc/39/88/66/396398866.db2.gz YIHDVZOYDWSITB-UHFFFAOYSA-N 0 0 313.357 0.804 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1=O ZINC000189768738 396398938 /nfs/dbraw/zinc/39/89/38/396398938.db2.gz OPSJHVUDFFECCC-CYBMUJFWSA-N 0 0 307.394 0.326 10 0 DCAERN CCN1CN(C(=O)NCCc2cccc(C(=O)NC)c2)CC1=O ZINC000189878316 396400009 /nfs/dbraw/zinc/40/00/09/396400009.db2.gz BDNWHEFABHIGEN-UHFFFAOYSA-N 0 0 318.377 0.420 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190204049 396402749 /nfs/dbraw/zinc/40/27/49/396402749.db2.gz HDFWIJYJAGYLOR-WDEREUQCSA-N 0 0 310.398 0.306 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CO[C@H]2CCCc3c[nH]nc32)C1 ZINC000190163618 396403010 /nfs/dbraw/zinc/40/30/10/396403010.db2.gz ARTUEMXVCRKECJ-RYUDHWBXSA-N 0 0 306.366 0.528 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000190216385 396403365 /nfs/dbraw/zinc/40/33/65/396403365.db2.gz IGZHXEIXTCSCBG-GXTWGEPZSA-N 0 0 318.439 0.290 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1=O ZINC000190384829 396405772 /nfs/dbraw/zinc/40/57/72/396405772.db2.gz JOTSXFXOOADGME-UHFFFAOYSA-N 0 0 307.325 0.246 10 0 DCAERN CC[C@@H](O)CN1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190605191 396408878 /nfs/dbraw/zinc/40/88/78/396408878.db2.gz LQRGGWFXKMJPQC-OAHLLOKOSA-N 0 0 320.499 0.980 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)OC)ncn1 ZINC000190633454 396409021 /nfs/dbraw/zinc/40/90/21/396409021.db2.gz HONINXOORGJOKG-VXGBXAGGSA-N 0 0 322.413 0.821 10 0 DCAERN CCc1nc(C2CCN(CC(=O)NC3CCOCC3)CC2)n[nH]1 ZINC000190654520 396409823 /nfs/dbraw/zinc/40/98/23/396409823.db2.gz WHYIEVUYUVBFBL-UHFFFAOYSA-N 0 0 321.425 0.842 10 0 DCAERN CCOCCNC(=O)CN1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190695981 396410207 /nfs/dbraw/zinc/41/02/07/396410207.db2.gz JNLLAAJNYONLIU-UHFFFAOYSA-N 0 0 309.414 0.699 10 0 DCAERN CCCCOC(=O)CCN1CCCN(CCOC)C(=O)C1 ZINC000190781317 396410921 /nfs/dbraw/zinc/41/09/21/396410921.db2.gz FLFGVQJIMVMDPL-UHFFFAOYSA-N 0 0 300.399 0.901 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000190979808 396413340 /nfs/dbraw/zinc/41/33/40/396413340.db2.gz XEFAJBHIWBGISY-OCZCAGDBSA-N 0 0 302.374 0.947 10 0 DCAERN COc1cccc(CNC(=O)[C@@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191076763 396415321 /nfs/dbraw/zinc/41/53/21/396415321.db2.gz SSYPZFAQFSRHMQ-CYBMUJFWSA-N 0 0 319.405 0.864 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CCCN(C)C(=O)C2)c1C ZINC000191124083 396416073 /nfs/dbraw/zinc/41/60/73/396416073.db2.gz BSFLPLZUZSDFPY-UHFFFAOYSA-N 0 0 321.377 0.765 10 0 DCAERN COc1cccc(CNC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191151616 396416217 /nfs/dbraw/zinc/41/62/17/396416217.db2.gz CXGZBGNGFXOZOA-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC000193170698 396445546 /nfs/dbraw/zinc/44/55/46/396445546.db2.gz AJQLFXVNVBTONT-RMLUDKJBSA-N 0 0 305.338 0.581 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191849499 396425777 /nfs/dbraw/zinc/42/57/77/396425777.db2.gz AASORRMFIPZYJY-FRRDWIJNSA-N 0 0 318.439 0.277 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018977 396428794 /nfs/dbraw/zinc/42/87/94/396428794.db2.gz PDIKLGXZDPPVAI-LLVKDONJSA-N 0 0 304.437 0.541 10 0 DCAERN COC(=O)[C@H](C)N(C[C@H](O)CN1CCOCC1)C1CCC1 ZINC000192379211 396430812 /nfs/dbraw/zinc/43/08/12/396430812.db2.gz UALDHMNEISSMAC-GXTWGEPZSA-N 0 0 300.399 0.096 10 0 DCAERN O=C(COCc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000192710227 396435497 /nfs/dbraw/zinc/43/54/97/396435497.db2.gz NZDXWDODCCLBBK-OAHLLOKOSA-N 0 0 308.378 0.013 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000192922986 396440055 /nfs/dbraw/zinc/44/00/55/396440055.db2.gz XGNLBYVJYHMQME-NWDGAFQWSA-N 0 0 316.427 0.343 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000192923010 396440260 /nfs/dbraw/zinc/44/02/60/396440260.db2.gz XGNLBYVJYHMQME-RYUDHWBXSA-N 0 0 316.427 0.343 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000192924445 396440719 /nfs/dbraw/zinc/44/07/19/396440719.db2.gz NSVBMMIPKNWHAU-NSHDSACASA-N 0 0 303.384 0.157 10 0 DCAERN CSC[C@@H](O)C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000187881492 396375787 /nfs/dbraw/zinc/37/57/87/396375787.db2.gz SUUIJOSRMYBDSP-LBPRGKRZSA-N 0 0 300.428 0.610 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187929789 396376188 /nfs/dbraw/zinc/37/61/88/396376188.db2.gz MYIQOBLYUZRPJW-UHFFFAOYSA-N 0 0 310.375 0.594 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCCNC(=O)[C@H]2C)cc1C ZINC000188077794 396378340 /nfs/dbraw/zinc/37/83/40/396378340.db2.gz CCKWYAPZDVFSMG-CYBMUJFWSA-N 0 0 317.389 0.770 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCCN(C)C(=O)C3)ccc2O1 ZINC000188209549 396379657 /nfs/dbraw/zinc/37/96/57/396379657.db2.gz YQGFIBJBYHBYIS-NSHDSACASA-N 0 0 324.402 0.863 10 0 DCAERN O=C(NCCO)c1ccc(N2CCOC3(CCCCC3)C2)nn1 ZINC000515453587 396505260 /nfs/dbraw/zinc/50/52/60/396505260.db2.gz OHDNQXCWTNBJOT-UHFFFAOYSA-N 0 0 320.393 0.738 10 0 DCAERN Cc1nnc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n1C1CC1 ZINC000580883170 396506941 /nfs/dbraw/zinc/50/69/41/396506941.db2.gz IFAHVBZSTRLBGD-HNNXBMFYSA-N 0 0 317.349 0.473 10 0 DCAERN CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580942766 396512522 /nfs/dbraw/zinc/51/25/22/396512522.db2.gz AQEOIBJCCBKKER-TZMCWYRMSA-N 0 0 321.421 0.905 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000193230810 396447016 /nfs/dbraw/zinc/44/70/16/396447016.db2.gz MURVQBYVTPKZAT-UHFFFAOYSA-N 0 0 315.439 0.660 10 0 DCAERN CCn1ncnc1CN1CCN(c2nccc(OC)n2)CC1 ZINC000193335080 396449181 /nfs/dbraw/zinc/44/91/81/396449181.db2.gz HZOJXMOGYXGWIO-UHFFFAOYSA-N 0 0 303.370 0.419 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)c1c[nH]c(=S)[nH]1 ZINC000193374405 396449977 /nfs/dbraw/zinc/44/99/77/396449977.db2.gz YBERLDQEQBJIEW-VIFPVBQESA-N 0 0 304.379 0.887 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(F)cc1C ZINC000193491526 396452576 /nfs/dbraw/zinc/45/25/76/396452576.db2.gz OSIMJDLIEJLGPQ-HUUCEWRRSA-N 0 0 308.353 0.775 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000371820725 396477625 /nfs/dbraw/zinc/47/76/25/396477625.db2.gz ONBRDWZLPCXXQA-YNEHKIRRSA-N 0 0 305.382 0.945 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371828975 396478239 /nfs/dbraw/zinc/47/82/39/396478239.db2.gz OPXIKAGLPHTFCK-OAHLLOKOSA-N 0 0 317.389 0.731 10 0 DCAERN O=C(NCCc1cccc(O)c1)N1CCN2CCOC[C@H]2C1 ZINC000371985853 396481677 /nfs/dbraw/zinc/48/16/77/396481677.db2.gz OZIPNGHPUHSNSY-CQSZACIVSA-N 0 0 305.378 0.661 10 0 DCAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC(n2ccnn2)C1 ZINC000372581451 396528859 /nfs/dbraw/zinc/52/88/59/396528859.db2.gz GICBCHSUQUJYMG-LLVKDONJSA-N 0 0 303.366 0.453 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@](C)(OC)C3CC3)CC2)n1 ZINC000292188947 396535595 /nfs/dbraw/zinc/53/55/95/396535595.db2.gz BPBCXQVFCMXKOV-INIZCTEOSA-N 0 0 320.393 0.949 10 0 DCAERN c1cc(N2CCO[C@H]([C@H]3CCCO3)C2)nc(N2CCOCC2)n1 ZINC000373382648 396587751 /nfs/dbraw/zinc/58/77/51/396587751.db2.gz JIHVEZUNRHLPNJ-KGLIPLIRSA-N 0 0 320.393 0.697 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581583743 396567067 /nfs/dbraw/zinc/56/70/67/396567067.db2.gz SKBDLNCQWDRRAO-DTWKUNHWSA-N 0 0 309.288 0.928 10 0 DCAERN COc1ccc(OC)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000373245918 396578907 /nfs/dbraw/zinc/57/89/07/396578907.db2.gz STALXXYDKOUEQW-LBPRGKRZSA-N 0 0 306.362 0.860 10 0 DCAERN Cc1cc(CCNC(=O)NCCN2CCOCC2(C)C)on1 ZINC000561569100 396644355 /nfs/dbraw/zinc/64/43/55/396644355.db2.gz YGVIPNXKPUXYPN-UHFFFAOYSA-N 0 0 310.398 0.936 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000581890514 396591155 /nfs/dbraw/zinc/59/11/55/396591155.db2.gz UXTMJCVGWGJSTO-YPMHNXCESA-N 0 0 318.439 0.922 10 0 DCAERN C[C@@H](C(=O)N1CCc2sccc2C1)N(C)Cc1nnnn1C ZINC000531562261 396598316 /nfs/dbraw/zinc/59/83/16/396598316.db2.gz IMFGMPNYBXGVTI-JTQLQIEISA-N 0 0 320.422 0.677 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000560606757 396621398 /nfs/dbraw/zinc/62/13/98/396621398.db2.gz TXCSROAUVJOEIG-NWDGAFQWSA-N 0 0 306.370 0.307 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374129285 396641552 /nfs/dbraw/zinc/64/15/52/396641552.db2.gz INEGVPOSTUPYGL-CIQGVGRVSA-N 0 0 303.362 0.974 10 0 DCAERN Cc1cnc(NC(=O)NCCCN2CCCS2(=O)=O)s1 ZINC000585821078 396661517 /nfs/dbraw/zinc/66/15/17/396661517.db2.gz WSGLLYSCRPHLKM-UHFFFAOYSA-N 0 0 318.424 0.999 10 0 DCAERN O=C(NCCn1ccnc1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375085683 396710406 /nfs/dbraw/zinc/71/04/06/396710406.db2.gz UEBOUGQZHNPWJG-UHFFFAOYSA-N 0 0 304.325 0.935 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@@H](Oc3cccnc3)C1)nc2N ZINC000302890090 396722983 /nfs/dbraw/zinc/72/29/83/396722983.db2.gz PEXDAYHLZHIPKN-LLVKDONJSA-N 0 0 311.349 0.998 10 0 DCAERN CNC(=O)c1cccnc1N1CCCN(CCOC)C(=O)C1 ZINC000302750925 396723385 /nfs/dbraw/zinc/72/33/85/396723385.db2.gz GXVHOOBEJZZOQU-UHFFFAOYSA-N 0 0 306.366 0.126 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCOC[C@@H]1c1nc[nH]n1 ZINC000375283167 396723812 /nfs/dbraw/zinc/72/38/12/396723812.db2.gz CUQSXHLGHJOUBG-MRVPVSSYSA-N 0 0 307.276 0.199 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000617709297 396782660 /nfs/dbraw/zinc/78/26/60/396782660.db2.gz UOKGOYDOGMFZGL-OAHLLOKOSA-N 0 0 301.383 0.666 10 0 DCAERN O=C(NC[C@@]1(OCCO)CCOC1)[C@H]1COc2ccccc2O1 ZINC000617717456 396789438 /nfs/dbraw/zinc/78/94/38/396789438.db2.gz HTTPBUXAFPYNGT-ZBFHGGJFSA-N 0 0 323.345 0.111 10 0 DCAERN COc1ncccc1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000375412191 396740466 /nfs/dbraw/zinc/74/04/66/396740466.db2.gz CLYBFNNPZVCXPE-CYBMUJFWSA-N 0 0 306.366 0.316 10 0 DCAERN Nc1ncnc(N[C@@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428047 396744768 /nfs/dbraw/zinc/74/47/68/396744768.db2.gz SAPNFCXZFOKHNO-SECBINFHSA-N 0 0 311.773 0.904 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1C ZINC000629407627 396748928 /nfs/dbraw/zinc/74/89/28/396748928.db2.gz FVQFCDVRZGMHKN-NSHDSACASA-N 0 0 307.350 0.551 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NC[C@H](C)c1ccncc1 ZINC000610701337 396751564 /nfs/dbraw/zinc/75/15/64/396751564.db2.gz AJSGGORYBVUWII-QWRGUYRKSA-N 0 0 300.380 0.914 10 0 DCAERN CC[C@H](Nc1ncc(I)cn1)C(N)=O ZINC000306179142 396754179 /nfs/dbraw/zinc/75/41/79/396754179.db2.gz QTUPILNUBMNNBO-LURJTMIESA-N 0 0 306.107 0.757 10 0 DCAERN O=C1C[C@H](NCc2ncc(I)s2)CN1 ZINC000306220882 396755407 /nfs/dbraw/zinc/75/54/07/396755407.db2.gz INCIIWBVTWHZPC-YFKPBYRVSA-N 0 0 323.159 0.726 10 0 DCAERN Cn1ncc(Br)c1C(=O)NCC[C@@H](O)C(F)F ZINC000634003385 396769432 /nfs/dbraw/zinc/76/94/32/396769432.db2.gz WCRNJCMXWRYIAR-ZCFIWIBFSA-N 0 0 312.114 0.929 10 0 DCAERN CNC(=O)C1(C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000590396516 396771654 /nfs/dbraw/zinc/77/16/54/396771654.db2.gz PCWCQFKERJDKRW-UHFFFAOYSA-N 0 0 303.362 0.988 10 0 DCAERN CCOC(=O)c1cnc(N[C@H]2CS(=O)(=O)C[C@H]2OC)s1 ZINC000596432638 396774224 /nfs/dbraw/zinc/77/42/24/396774224.db2.gz IJTCXYJLOMFMPU-JGVFFNPUSA-N 0 0 320.392 0.544 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)C(C)(C)C1 ZINC000625112396 396774556 /nfs/dbraw/zinc/77/45/56/396774556.db2.gz WXIJEAWYQAVHTQ-LBPRGKRZSA-N 0 0 318.439 0.826 10 0 DCAERN Cc1nc(C)n([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000375789218 396819625 /nfs/dbraw/zinc/81/96/25/396819625.db2.gz IXEOULVPWYQUSX-AWEZNQCLSA-N 0 0 307.398 0.391 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CCc2nccn2C1 ZINC000328630882 396826244 /nfs/dbraw/zinc/82/62/44/396826244.db2.gz QJOAIRJZHVVAEH-OLZOCXBDSA-N 0 0 313.423 0.934 10 0 DCAERN CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1c1ncc[nH]1 ZINC000328634527 396826888 /nfs/dbraw/zinc/82/68/88/396826888.db2.gz UCEXVDOFCRDVMK-LBPRGKRZSA-N 0 0 300.366 0.750 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CCn2ccnc2C1 ZINC000328639756 396828133 /nfs/dbraw/zinc/82/81/33/396828133.db2.gz XBYOFKCPQZLLNU-OLZOCXBDSA-N 0 0 313.423 0.934 10 0 DCAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641643 396828992 /nfs/dbraw/zinc/82/89/92/396828992.db2.gz QRJBFCYBMILOPS-CHWSQXEVSA-N 0 0 313.398 0.640 10 0 DCAERN COc1ncccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328645521 396829463 /nfs/dbraw/zinc/82/94/63/396829463.db2.gz ZTHPYXJVRAQQHB-LBPRGKRZSA-N 0 0 301.350 0.942 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000375928332 396847442 /nfs/dbraw/zinc/84/74/42/396847442.db2.gz SYCIOEGRVXSSBU-QGZVFWFLSA-N 0 0 318.373 0.736 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000591173372 396882784 /nfs/dbraw/zinc/88/27/84/396882784.db2.gz KUDCRPSENSBLPY-PSASIEDQSA-N 0 0 324.410 0.226 10 0 DCAERN CC(=O)NCCN(C[C@@H](C)CO)[C@H](C)C(=O)OC(C)(C)C ZINC000611576320 396888863 /nfs/dbraw/zinc/88/88/63/396888863.db2.gz PEACPYSXGGBBHV-VXGBXAGGSA-N 0 0 302.415 0.783 10 0 DCAERN O=C(N[C@H]1CCCOC1)[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000332827284 396895218 /nfs/dbraw/zinc/89/52/18/396895218.db2.gz JOQUUBBIAAHGHB-BYNSBNAKSA-N 0 0 324.421 0.993 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000625509284 396902977 /nfs/dbraw/zinc/90/29/77/396902977.db2.gz KAJHDPFXWCOOLR-DZGCQCFKSA-N 0 0 321.421 0.928 10 0 DCAERN COc1cccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000376307673 396908716 /nfs/dbraw/zinc/90/87/16/396908716.db2.gz PNJDCENJPJZPBC-ZDUSSCGKSA-N 0 0 306.362 0.617 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000333159901 396920071 /nfs/dbraw/zinc/92/00/71/396920071.db2.gz LSJKFCXEVCYYMJ-WRWGMCAJSA-N 0 0 312.395 0.696 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cccc2nsnc21 ZINC000625598189 396942373 /nfs/dbraw/zinc/94/23/73/396942373.db2.gz QIOBMMOXJRDCMG-IONNQARKSA-N 0 0 315.376 0.119 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCCCNc2ccccn2)C1 ZINC000376579446 396949635 /nfs/dbraw/zinc/94/96/35/396949635.db2.gz OCDOJGUEOBXCBP-LBPRGKRZSA-N 0 0 305.382 0.791 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000571430958 396951167 /nfs/dbraw/zinc/95/11/67/396951167.db2.gz HBUJVRVHUJCXED-FRRDWIJNSA-N 0 0 317.393 0.878 10 0 DCAERN CCn1cc(O[C@@H]2CN(Cc3cccc(OC)n3)C[C@H]2O)cn1 ZINC000625619869 396954033 /nfs/dbraw/zinc/95/40/33/396954033.db2.gz MDSFXFWFVPWRQE-HUUCEWRRSA-N 0 0 318.377 0.931 10 0 DCAERN COC(=O)[C@H]1CCn2c(nnc2C(=O)Nc2ccccn2)C1 ZINC000601045837 396998359 /nfs/dbraw/zinc/99/83/59/396998359.db2.gz YSULKSXCKMSPMD-VIFPVBQESA-N 0 0 301.306 0.661 10 0 DCAERN Cc1ncc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)s1 ZINC000618680143 397011752 /nfs/dbraw/zinc/01/17/52/397011752.db2.gz VRHNPEYKPOJZKP-MRVPVSSYSA-N 0 0 303.409 0.557 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cn1 ZINC000572100720 397020011 /nfs/dbraw/zinc/02/00/11/397020011.db2.gz PFDRSGQXPWWHLO-UHFFFAOYSA-N 0 0 316.317 0.793 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCSC1 ZINC000625871953 397021636 /nfs/dbraw/zinc/02/16/36/397021636.db2.gz DAVGNVFJFWJISB-JTQLQIEISA-N 0 0 315.439 0.418 10 0 DCAERN CS(=O)(=O)CCCN1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000349273205 397065120 /nfs/dbraw/zinc/06/51/20/397065120.db2.gz ZLEVAQPKDUVYAP-DCAQKATOSA-N 0 0 300.380 0.484 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnn(C)c1C ZINC000626069208 397066169 /nfs/dbraw/zinc/06/61/69/397066169.db2.gz IURBIPWTRXAZPP-UHFFFAOYSA-N 0 0 323.397 0.477 10 0 DCAERN C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccnc3c2ncn3C)CC1 ZINC000377327981 397067354 /nfs/dbraw/zinc/06/73/54/397067354.db2.gz VJYYIRXRFDSHBS-LBPRGKRZSA-N 0 0 317.393 0.497 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)c(Cl)c1 ZINC000377348643 397070375 /nfs/dbraw/zinc/07/03/75/397070375.db2.gz XNNXIOFHMBVHRB-LBPRGKRZSA-N 0 0 318.782 0.259 10 0 DCAERN O=C(NCC1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000572743378 397090875 /nfs/dbraw/zinc/09/08/75/397090875.db2.gz VMGRFXWHTULMES-UHFFFAOYSA-N 0 0 302.334 0.816 10 0 DCAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ncccn2)C1=O ZINC000572335377 397047570 /nfs/dbraw/zinc/04/75/70/397047570.db2.gz WJIYTUTWRFIPEV-CQSZACIVSA-N 0 0 300.322 0.567 10 0 DCAERN CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630575420 397049942 /nfs/dbraw/zinc/04/99/42/397049942.db2.gz ZHNCDNKGBQXCNR-KBPBESRZSA-N 0 0 307.394 0.767 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(CC(=O)c3cccn3C)CCO2)n1 ZINC000592253287 397137350 /nfs/dbraw/zinc/13/73/50/397137350.db2.gz AIRBYIJEKQOPGM-AWEZNQCLSA-N 0 0 317.393 0.817 10 0 DCAERN CCOC(=O)c1ccccc1S(=O)(=O)NCc1cn(C)nn1 ZINC000619680853 397174814 /nfs/dbraw/zinc/17/48/14/397174814.db2.gz BJBRXVDAHLMNJS-UHFFFAOYSA-N 0 0 324.362 0.470 10 0 DCAERN CSCC(C)(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000619723891 397185391 /nfs/dbraw/zinc/18/53/91/397185391.db2.gz INUUOZVDKLEORV-UHFFFAOYSA-N 0 0 308.469 0.917 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](n2cc(C)cn2)C1 ZINC000378110266 397194072 /nfs/dbraw/zinc/19/40/72/397194072.db2.gz GOMFPXURFRVIFS-CHWSQXEVSA-N 0 0 308.407 0.886 10 0 DCAERN c1c(CNC2CN(c3ccncn3)C2)nnn1C[C@@H]1CCOC1 ZINC000631256950 397194250 /nfs/dbraw/zinc/19/42/50/397194250.db2.gz UOCASNANVFWXHH-LBPRGKRZSA-N 0 0 315.381 0.083 10 0 DCAERN CCN1CC[C@H](NC(=O)c2cccc(OCC(=O)OC)c2)C1=O ZINC000619801613 397194828 /nfs/dbraw/zinc/19/48/28/397194828.db2.gz IDBRODUXIGSDKY-ZDUSSCGKSA-N 0 0 320.345 0.589 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CCC(CC(=O)OC)CC2)C1=O ZINC000619829357 397199107 /nfs/dbraw/zinc/19/91/07/397199107.db2.gz SYBLSPMYPCTSFZ-LBPRGKRZSA-N 0 0 311.382 0.592 10 0 DCAERN CC(=O)N1CCN(C(=O)Cc2cnnn2C)CC12CCCCC2 ZINC000613147443 397204441 /nfs/dbraw/zinc/20/44/41/397204441.db2.gz DFPDBBDVAJCRRT-UHFFFAOYSA-N 0 0 319.409 0.751 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000364455367 397206065 /nfs/dbraw/zinc/20/60/65/397206065.db2.gz OIRAXJYTQWFIIQ-DBIOUOCHSA-N 0 0 303.380 0.220 10 0 DCAERN CCOC[C@H](C(=O)OC)N(C)C(=O)c1cncc(COC)c1 ZINC000613189156 397212635 /nfs/dbraw/zinc/21/26/35/397212635.db2.gz ZUHXBATXAJDCRA-CYBMUJFWSA-N 0 0 310.350 0.878 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000385602348 397283376 /nfs/dbraw/zinc/28/33/76/397283376.db2.gz DALKINCMXUJYMN-WCBMZHEXSA-N 0 0 307.803 0.855 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000385769246 397285580 /nfs/dbraw/zinc/28/55/80/397285580.db2.gz YMSNFQXYQDXDGM-VXGBXAGGSA-N 0 0 301.412 0.818 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NCc1cn(C)nn1 ZINC000389807436 397298947 /nfs/dbraw/zinc/29/89/47/397298947.db2.gz AAKLKQQGHXFSHV-UHFFFAOYSA-N 0 0 310.335 0.080 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)c1 ZINC000396663867 397310591 /nfs/dbraw/zinc/31/05/91/397310591.db2.gz BRESAVHVLHQYBG-GFCCVEGCSA-N 0 0 310.375 0.836 10 0 DCAERN O=C(NCCCc1ccccc1)C(=O)N1CC(n2ccnn2)C1 ZINC000378551320 397255028 /nfs/dbraw/zinc/25/50/28/397255028.db2.gz PSMVPTGUNQMBDO-UHFFFAOYSA-N 0 0 313.361 0.410 10 0 DCAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000574357599 397260360 /nfs/dbraw/zinc/26/03/60/397260360.db2.gz CQMGIIVBIZYUEO-UKRRQHHQSA-N 0 0 321.421 0.367 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000407954243 397335741 /nfs/dbraw/zinc/33/57/41/397335741.db2.gz FCAWVWRYWLOSNR-UHFFFAOYSA-N 0 0 301.412 0.270 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000407954814 397335790 /nfs/dbraw/zinc/33/57/90/397335790.db2.gz HTYYREVJBUXQOG-REWJHTLYSA-N 0 0 312.410 0.800 10 0 DCAERN O=C(c1ccc2c(c1)OCCO2)N1CCN(C2CC2)C(=O)C1 ZINC000407959072 397337046 /nfs/dbraw/zinc/33/70/46/397337046.db2.gz USYFXWMURJLAST-UHFFFAOYSA-N 0 0 302.330 0.905 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000407961105 397337722 /nfs/dbraw/zinc/33/77/22/397337722.db2.gz AUBASOQJKKKCDD-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC(=O)N1C ZINC000407961804 397337943 /nfs/dbraw/zinc/33/79/43/397337943.db2.gz AODCTRVIQLTDCN-RYUDHWBXSA-N 0 0 321.381 0.614 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000407962696 397338755 /nfs/dbraw/zinc/33/87/55/397338755.db2.gz NRUGLVBZODHOGD-UPJWGTAASA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)CC(=O)N1C ZINC000407967693 397340875 /nfs/dbraw/zinc/34/08/75/397340875.db2.gz DIONFRFOYBOELT-QMMMGPOBSA-N 0 0 316.404 0.454 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000407969936 397341443 /nfs/dbraw/zinc/34/14/43/397341443.db2.gz AFAMWTCTNBPZQG-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408022153 397344874 /nfs/dbraw/zinc/34/48/74/397344874.db2.gz RJRBNPPOHJLSJD-KGLIPLIRSA-N 0 0 305.378 0.944 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000366174567 397347126 /nfs/dbraw/zinc/34/71/26/397347126.db2.gz YYIJYHUHQANWEB-QGZVFWFLSA-N 0 0 316.357 0.503 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1O ZINC000408093566 397347559 /nfs/dbraw/zinc/34/75/59/397347559.db2.gz CIYAYNXQPZNLBR-VXGBXAGGSA-N 0 0 323.393 0.470 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCS1(=O)=O ZINC000408196843 397348914 /nfs/dbraw/zinc/34/89/14/397348914.db2.gz CSJSMBBYANWJQA-QWRGUYRKSA-N 0 0 316.423 0.279 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H](N2CCCNS2(=O)=O)C1 ZINC000409434587 397359382 /nfs/dbraw/zinc/35/93/82/397359382.db2.gz YKPMARNMESZJBV-SNVBAGLBSA-N 0 0 305.400 0.536 10 0 DCAERN CC1(C)CN(S(=O)(=O)Cc2ccon2)C[C@]2(CCOC2)O1 ZINC000366513169 397369566 /nfs/dbraw/zinc/36/95/66/397369566.db2.gz ZDTYPXRYKOPHKJ-ZDUSSCGKSA-N 0 0 316.379 0.774 10 0 DCAERN O=C(NC1(c2nnn[n-]2)CC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000577917230 397370631 /nfs/dbraw/zinc/37/06/31/397370631.db2.gz MMFNUXORNIHTMV-SNVBAGLBSA-N 0 0 318.381 0.486 10 0 DCAERN CO[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317295 397374155 /nfs/dbraw/zinc/37/41/55/397374155.db2.gz WARSFWYXXHYOHP-WCQYABFASA-N 0 0 305.386 0.667 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H](O)c1ccccc1 ZINC000365849924 397324787 /nfs/dbraw/zinc/32/47/87/397324787.db2.gz DKKCJNBYVTYXLH-GJZGRUSLSA-N 0 0 318.373 0.616 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1sc(CC2CC2)nc1C ZINC000578411948 397431779 /nfs/dbraw/zinc/43/17/79/397431779.db2.gz VZCHPAUYYNFXGZ-UHFFFAOYSA-N 0 0 317.436 0.683 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC2(O)CCC(F)(F)CC2)C1 ZINC000621577534 397400019 /nfs/dbraw/zinc/40/00/19/397400019.db2.gz GFBUSDVFSZHCFZ-LLVKDONJSA-N 0 0 319.352 0.847 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000578230057 397408526 /nfs/dbraw/zinc/40/85/26/397408526.db2.gz UWIZOHYWPXOSES-UHFFFAOYSA-N 0 0 324.341 0.651 10 0 DCAERN C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000428189561 397408842 /nfs/dbraw/zinc/40/88/42/397408842.db2.gz BQINDGVBKDXDHG-MELADBBJSA-N 0 0 305.378 0.780 10 0 DCAERN O=C(NCCOCC1CCC1)N1CCC[C@H](OCCO)C1 ZINC000578284516 397415505 /nfs/dbraw/zinc/41/55/05/397415505.db2.gz RTGUUQCTEBEBSW-AWEZNQCLSA-N 0 0 300.399 0.986 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000370237232 397459282 /nfs/dbraw/zinc/45/92/82/397459282.db2.gz YKMLESQTLXZJAE-OLZOCXBDSA-N 0 0 324.406 0.241 10 0 DCAERN Cc1nnc2n1C[C@H](CN1C(=O)CN(C3CCC3)C1=O)CC2 ZINC000578835423 397490834 /nfs/dbraw/zinc/49/08/34/397490834.db2.gz JGQJOKLMUOEBEY-LLVKDONJSA-N 0 0 303.366 0.966 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccncc1F ZINC000488159325 397487015 /nfs/dbraw/zinc/48/70/15/397487015.db2.gz HGIXBSAAQLUMPW-DTWKUNHWSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc(C)nc1C ZINC000488273869 397487826 /nfs/dbraw/zinc/48/78/26/397487826.db2.gz RGNKGCJLDSJVRM-ZJUUUORDSA-N 0 0 322.365 0.280 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCN1CCCC1=O ZINC000602833228 397497344 /nfs/dbraw/zinc/49/73/44/397497344.db2.gz JGEDPDBTTFIOEH-ZDUSSCGKSA-N 0 0 317.389 0.886 10 0 DCAERN O=C(c1cnc(C2CC2)s1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000578959547 397504902 /nfs/dbraw/zinc/50/49/02/397504902.db2.gz HYAFTCOOYMWBCL-AWEZNQCLSA-N 0 0 320.374 0.835 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000370651426 397512466 /nfs/dbraw/zinc/51/24/66/397512466.db2.gz QDNXDAZKNQFJAH-YVECIDJPSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1nnc(CNC(=O)CN(C)c2ccc(Cl)cn2)n1C ZINC000603263178 397590400 /nfs/dbraw/zinc/59/04/00/397590400.db2.gz DEPUUMZIRYWNTQ-UHFFFAOYSA-N 0 0 308.773 0.925 10 0 DCAERN O=C(NCCOCC1CCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000579900844 397597074 /nfs/dbraw/zinc/59/70/74/397597074.db2.gz OZFNSIVTGRJHEB-UHFFFAOYSA-N 0 0 317.345 0.763 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605847200 397672457 /nfs/dbraw/zinc/67/24/57/397672457.db2.gz IZDPRLMKTOFDGJ-HIFRSBDPSA-N 0 0 322.453 0.886 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCc3ccnn3C)CC2)n1 ZINC000606482453 397682214 /nfs/dbraw/zinc/68/22/14/397682214.db2.gz VXNJJKYILBNUQT-UHFFFAOYSA-N 0 0 319.369 0.139 10 0 DCAERN C[C@@H]1CSCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000606497733 397682778 /nfs/dbraw/zinc/68/27/78/397682778.db2.gz RIHLMKJGQAEVJE-LLVKDONJSA-N 0 0 321.468 0.559 10 0 DCAERN COC[C@H](C)CNC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000606499634 397682894 /nfs/dbraw/zinc/68/28/94/397682894.db2.gz DQJMDPMUFFAUJB-LLVKDONJSA-N 0 0 311.386 0.488 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cn1 ZINC000608490211 397734353 /nfs/dbraw/zinc/73/43/53/397734353.db2.gz NMRGZPODWJWFMU-WZRBSPASSA-N 0 0 321.381 0.660 10 0 DCAERN COC(=O)c1ccoc1CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000609849482 397794666 /nfs/dbraw/zinc/79/46/66/397794666.db2.gz OOARXIFRABTIJJ-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN CN(C)c1ncc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cn1 ZINC000157951013 545854017 /nfs/dbraw/zinc/85/40/17/545854017.db2.gz MCOABNRJILENSG-LBPRGKRZSA-N 0 0 303.366 0.882 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)Cc2cc(C)on2)CC(C)(C)O1 ZINC000330519981 292922511 /nfs/dbraw/zinc/92/25/11/292922511.db2.gz PWJUHSSONIAPBQ-LBPRGKRZSA-N 0 0 318.395 0.939 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000408461782 286155483 /nfs/dbraw/zinc/15/54/83/286155483.db2.gz WUYVFLGSQYWKDS-XQQFMLRXSA-N 0 0 306.428 0.004 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068286338 296636256 /nfs/dbraw/zinc/63/62/56/296636256.db2.gz IFDFDQTWHTVERH-ZYHUDNBSSA-N 0 0 317.389 0.980 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@H]2C)ccc1F ZINC000195479622 286244748 /nfs/dbraw/zinc/24/47/48/286244748.db2.gz RUKOYNTZRJCIGC-PELKAZGASA-N 0 0 316.354 0.637 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408450078 297971174 /nfs/dbraw/zinc/97/11/74/297971174.db2.gz INCQGQHUERVMFE-GRYCIOLGSA-N 0 0 320.455 0.522 10 0 DCAERN O=C(CN1CCCC1=O)NC1CCN(c2ccccn2)CC1 ZINC000046619083 158001888 /nfs/dbraw/zinc/00/18/88/158001888.db2.gz LMDMROBYHQPVGQ-UHFFFAOYSA-N 0 0 302.378 0.789 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NCc2cscn2)CC1 ZINC000052299241 158017015 /nfs/dbraw/zinc/01/70/15/158017015.db2.gz VBLXLGWTAPDCHU-UHFFFAOYSA-N 0 0 318.424 0.320 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000055900396 158022469 /nfs/dbraw/zinc/02/24/69/158022469.db2.gz GLIWAWZYMHXSLC-CQSZACIVSA-N 0 0 313.442 0.718 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000066858458 158037438 /nfs/dbraw/zinc/03/74/38/158037438.db2.gz BOBFOASKMSVHOF-HNNXBMFYSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)NC(N)=O)cc1F ZINC000067873346 158040411 /nfs/dbraw/zinc/04/04/11/158040411.db2.gz NVULWTBIZQNAQG-SECBINFHSA-N 0 0 319.340 0.993 10 0 DCAERN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)C2CC2)c1 ZINC000068042859 158040831 /nfs/dbraw/zinc/04/08/31/158040831.db2.gz DNQZEBVIZGZRKY-UHFFFAOYSA-N 0 0 312.391 0.858 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccccc1 ZINC000068099153 158041827 /nfs/dbraw/zinc/04/18/27/158041827.db2.gz YKOYHOSHKVYGSI-DGCLKSJQSA-N 0 0 303.362 0.529 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccccc1 ZINC000068099151 158041934 /nfs/dbraw/zinc/04/19/34/158041934.db2.gz YKOYHOSHKVYGSI-AAEUAGOBSA-N 0 0 303.362 0.529 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000068096995 158042329 /nfs/dbraw/zinc/04/23/29/158042329.db2.gz JRBGNRKGIDOGAT-GHMZBOCLSA-N 0 0 316.423 0.456 10 0 DCAERN COC(=O)c1ccc(CCC(=O)N2CCNC(=O)CC2)cc1 ZINC000068309295 158042332 /nfs/dbraw/zinc/04/23/32/158042332.db2.gz GPXXYEDBSONOSQ-UHFFFAOYSA-N 0 0 304.346 0.754 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000069125883 158044924 /nfs/dbraw/zinc/04/49/24/158044924.db2.gz AWFJPIWYYHUPGA-FOGDFJRCSA-N 0 0 316.427 0.733 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 ZINC000069467159 158045585 /nfs/dbraw/zinc/04/55/85/158045585.db2.gz XUEVBNHDGXQHNZ-ZDUSSCGKSA-N 0 0 309.341 0.654 10 0 DCAERN O=C([C@H]1COCCO1)N1CCC(c2nnc3ccccn32)CC1 ZINC000073898380 158057212 /nfs/dbraw/zinc/05/72/12/158057212.db2.gz SRJDJVPQARRIPU-CYBMUJFWSA-N 0 0 316.361 0.851 10 0 DCAERN COc1ccc(-c2noc(Cn3nc4ccccn4c3=O)n2)cn1 ZINC000074449917 158060055 /nfs/dbraw/zinc/06/00/55/158060055.db2.gz XRJLUZWDBYFBEE-UHFFFAOYSA-N 0 0 324.300 0.998 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)C1 ZINC000075656281 158062532 /nfs/dbraw/zinc/06/25/32/158062532.db2.gz BQTJWSSNERNZMG-GFCCVEGCSA-N 0 0 317.455 0.763 10 0 DCAERN C[C@H](O)C[C@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000077051091 158066796 /nfs/dbraw/zinc/06/67/96/158066796.db2.gz KKBQEPVLKKFYBY-QWRGUYRKSA-N 0 0 319.361 0.213 10 0 DCAERN C[C@H](NC(=O)CN1[C@H](C)COC[C@@H]1C)C(=O)N1CCCCC1 ZINC000077368642 158068041 /nfs/dbraw/zinc/06/80/41/158068041.db2.gz MZSBVQLFGQBMQI-MJBXVCDLSA-N 0 0 311.426 0.613 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000077847017 158071769 /nfs/dbraw/zinc/07/17/69/158071769.db2.gz UUVXICITLUIQJK-VXGBXAGGSA-N 0 0 307.394 0.905 10 0 DCAERN CC(C)(CNC(=O)NCc1cccnc1-n1ccnc1)C(N)=O ZINC000079216909 158077929 /nfs/dbraw/zinc/07/79/29/158077929.db2.gz BYNNIXBJYLETNK-UHFFFAOYSA-N 0 0 316.365 0.578 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 ZINC000084273814 158088505 /nfs/dbraw/zinc/08/85/05/158088505.db2.gz KAOPGPCVDPUNTB-CQSZACIVSA-N 0 0 321.377 0.831 10 0 DCAERN CCn1cc(C(=O)C(=O)Nc2cc(-c3nccn3C)[nH]n2)cn1 ZINC000089512620 158097358 /nfs/dbraw/zinc/09/73/58/158097358.db2.gz XTHMADCERMFRHK-UHFFFAOYSA-N 0 0 313.321 0.848 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000089572318 158098765 /nfs/dbraw/zinc/09/87/65/158098765.db2.gz FQSGVDKIIGPMGK-GFCCVEGCSA-N 0 0 320.393 0.709 10 0 DCAERN C[C@H](NC(N)=O)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990179 158099434 /nfs/dbraw/zinc/09/94/34/158099434.db2.gz YBXAMFDJXJLPDT-BYPYZUCNSA-N 0 0 303.116 0.133 10 0 DCAERN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1CN2CCN1CC2 ZINC000090698571 158105121 /nfs/dbraw/zinc/10/51/21/158105121.db2.gz CZFZXASBWZSRNY-KWEXDPCDSA-N 0 0 315.373 0.545 10 0 DCAERN COCCCOCCN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000091055651 158105966 /nfs/dbraw/zinc/10/59/66/158105966.db2.gz CKHFEKSRVHCDGI-CYBMUJFWSA-N 0 0 308.444 0.948 10 0 DCAERN Cc1cccn2c1ncc(C(=O)Nc1cccn(C)c1=O)c2=O ZINC000091052006 158106124 /nfs/dbraw/zinc/10/61/24/158106124.db2.gz GRKBHNCFWOXARZ-UHFFFAOYSA-N 0 0 310.313 0.954 10 0 DCAERN CCn1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044729 158110932 /nfs/dbraw/zinc/11/09/32/158110932.db2.gz GCUZHSRIZPTJCN-CQSZACIVSA-N 0 0 312.439 0.903 10 0 DCAERN Cn1cnc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)n1 ZINC000092379158 158113901 /nfs/dbraw/zinc/11/39/01/158113901.db2.gz XHSRQVXKFYFUCF-ZDUSSCGKSA-N 0 0 322.413 0.211 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccncc2CC)C1 ZINC000092771030 158114592 /nfs/dbraw/zinc/11/45/92/158114592.db2.gz WSTNVONPRZPBHQ-GFCCVEGCSA-N 0 0 311.407 0.798 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000102642961 158128701 /nfs/dbraw/zinc/12/87/01/158128701.db2.gz QANVELLLZOMYGE-RWMBFGLXSA-N 0 0 309.410 0.666 10 0 DCAERN CCc1nc(CNC(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000107753088 158135304 /nfs/dbraw/zinc/13/53/04/158135304.db2.gz DMTFLVATUDIUHM-UHFFFAOYSA-N 0 0 303.409 0.646 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000109095664 158137225 /nfs/dbraw/zinc/13/72/25/158137225.db2.gz CZLOZOMTLTWJSF-NRUUGDAUSA-N 0 0 310.300 0.781 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCc2ncnn2C1 ZINC000112651840 158144142 /nfs/dbraw/zinc/14/41/42/158144142.db2.gz SAAARDKJADAONH-NSHDSACASA-N 0 0 324.344 0.119 10 0 DCAERN COc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112741658 158144266 /nfs/dbraw/zinc/14/42/66/158144266.db2.gz NPNGXURHWSCJNB-LLVKDONJSA-N 0 0 302.338 0.496 10 0 DCAERN Nc1nccnc1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114678185 158156382 /nfs/dbraw/zinc/15/63/82/158156382.db2.gz XRYJAKPVNKQINB-MRVPVSSYSA-N 0 0 318.362 0.759 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114836500 158157226 /nfs/dbraw/zinc/15/72/26/158157226.db2.gz WYZRYJZCROXQAA-STQMWFEESA-N 0 0 310.398 0.306 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CSc1nncn1C)CC2 ZINC000114870930 158158797 /nfs/dbraw/zinc/15/87/97/158158797.db2.gz MYWLJIYLDYXXFU-VIFPVBQESA-N 0 0 321.410 0.192 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCNC(=O)C1CC1)CC2 ZINC000114868433 158159225 /nfs/dbraw/zinc/15/92/25/158159225.db2.gz WELXYEHSEQARSI-GFCCVEGCSA-N 0 0 319.409 0.578 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccnn1C)CC2 ZINC000114931997 158160107 /nfs/dbraw/zinc/16/01/07/158160107.db2.gz HBHSJUFVEMLLMV-SNVBAGLBSA-N 0 0 303.370 0.388 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N1CCC[C@@H]1c1ccco1 ZINC000116432571 158166127 /nfs/dbraw/zinc/16/61/27/158166127.db2.gz XRTISGRZNYGRJE-SNVBAGLBSA-N 0 0 306.322 0.678 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)NCC(=O)N(C)C)CC2)n1 ZINC000116935509 158168164 /nfs/dbraw/zinc/16/81/64/158168164.db2.gz RJYFNPBSJZLYQR-UHFFFAOYSA-N 0 0 319.409 0.746 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891799 158168390 /nfs/dbraw/zinc/16/83/90/158168390.db2.gz YBLHDJAZGAAMFX-OLZOCXBDSA-N 0 0 317.455 0.257 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116947270 158168781 /nfs/dbraw/zinc/16/87/81/158168781.db2.gz AQJKQRBJMSICGF-WOPDTQHZSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@H](C(=O)N1CCCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891718 158168967 /nfs/dbraw/zinc/16/89/67/158168967.db2.gz FIHUGDAZGYXNSB-OLZOCXBDSA-N 0 0 317.455 0.401 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000116890687 158168974 /nfs/dbraw/zinc/16/89/74/158168974.db2.gz DHEBTMYRJFGHSP-LBPRGKRZSA-N 0 0 303.428 0.059 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000117369529 158171823 /nfs/dbraw/zinc/17/18/23/158171823.db2.gz JYNLEZYOGIONFL-AWEZNQCLSA-N 0 0 319.471 0.760 10 0 DCAERN COCCN1CCN(C(=O)NCCNC(=O)C(C)C)C[C@H]1C ZINC000117470979 158171963 /nfs/dbraw/zinc/17/19/63/158171963.db2.gz AZGXICMLGXTBDS-CYBMUJFWSA-N 0 0 314.430 0.121 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000117752126 158173248 /nfs/dbraw/zinc/17/32/48/158173248.db2.gz CWDNCWPXKPWIGQ-WBMJQRKESA-N 0 0 318.373 0.916 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000117805752 158173326 /nfs/dbraw/zinc/17/33/26/158173326.db2.gz KVTLHKIANUVEQQ-BMIGLBTASA-N 0 0 302.330 0.816 10 0 DCAERN CCc1ncc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000118963832 158181175 /nfs/dbraw/zinc/18/11/75/158181175.db2.gz HRSMKMSZKRIQDC-ZDUSSCGKSA-N 0 0 305.382 0.977 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@]1(CCO)CCOC1 ZINC000119370199 158187443 /nfs/dbraw/zinc/18/74/43/158187443.db2.gz UCWRBJIOXVRSOH-INIZCTEOSA-N 0 0 319.361 0.235 10 0 DCAERN CC(C)OCCN1CCN(C[C@H](C)CS(C)(=O)=O)CC1 ZINC000119544854 158188952 /nfs/dbraw/zinc/18/89/52/158188952.db2.gz LNFCAHUMGGKPCL-AWEZNQCLSA-N 0 0 306.472 0.710 10 0 DCAERN COc1cccc([C@@H]2CN(Cc3nc(N)nc(N)n3)CCO2)c1 ZINC000120294158 158197140 /nfs/dbraw/zinc/19/71/40/158197140.db2.gz ZCZHSXSLWSMDIB-LBPRGKRZSA-N 0 0 316.365 0.618 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(n2cncn2)CC1 ZINC000120404969 158197497 /nfs/dbraw/zinc/19/74/97/158197497.db2.gz PVLDKSXOZWOYDG-LLVKDONJSA-N 0 0 307.398 0.992 10 0 DCAERN CC(C)(C)OC(=O)NCC(=O)N1CCC(n2cncn2)CC1 ZINC000120358993 158198387 /nfs/dbraw/zinc/19/83/87/158198387.db2.gz NIUXXXLRAJUUMH-UHFFFAOYSA-N 0 0 309.370 0.966 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2F)C1 ZINC000120931752 158205523 /nfs/dbraw/zinc/20/55/23/158205523.db2.gz HVHSWJHDHJKBJI-LLVKDONJSA-N 0 0 321.352 0.739 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000121303294 158208850 /nfs/dbraw/zinc/20/88/50/158208850.db2.gz VMPOKMWESRQWQT-GFCCVEGCSA-N 0 0 323.397 0.662 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000121477113 158212089 /nfs/dbraw/zinc/21/20/89/158212089.db2.gz NIHUFJZGWGHNSD-UHFFFAOYSA-N 0 0 313.304 0.934 10 0 DCAERN C[C@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@H](C)O1 ZINC000121656842 158212564 /nfs/dbraw/zinc/21/25/64/158212564.db2.gz SYADLHCQBISCDD-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122042211 158217420 /nfs/dbraw/zinc/21/74/20/158217420.db2.gz UAIRLUUIDQRVBC-NWDGAFQWSA-N 0 0 316.423 0.279 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000122102461 158218442 /nfs/dbraw/zinc/21/84/42/158218442.db2.gz JPHIGVMFQMULJU-PWSUYJOCSA-N 0 0 306.366 0.862 10 0 DCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCC(N)=O)CC2 ZINC000122266731 158219270 /nfs/dbraw/zinc/21/92/70/158219270.db2.gz COKPTRDAUQSZSN-ZETCQYMHSA-N 0 0 316.283 0.510 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N[C@@H]1C=CCCC1 ZINC000122291702 158220205 /nfs/dbraw/zinc/22/02/05/158220205.db2.gz NIKDLGLAGHXHHF-LLVKDONJSA-N 0 0 312.333 0.826 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)sc1C ZINC000122409200 158220587 /nfs/dbraw/zinc/22/05/87/158220587.db2.gz KTWSOTNHECNQQO-XCBNKYQSSA-N 0 0 312.395 0.544 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000122381687 158221090 /nfs/dbraw/zinc/22/10/90/158221090.db2.gz XXNMBFNQSXHQAF-GFCCVEGCSA-N 0 0 324.402 0.887 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000122714317 158222886 /nfs/dbraw/zinc/22/28/86/158222886.db2.gz DWCPQXBRYFCCOU-QWHCGFSZSA-N 0 0 318.439 0.874 10 0 DCAERN CNc1ncc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000122660856 158223161 /nfs/dbraw/zinc/22/31/61/158223161.db2.gz QUJCFROPRSSCEF-MNOVXSKESA-N 0 0 310.423 0.978 10 0 DCAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614412 158231409 /nfs/dbraw/zinc/23/14/09/158231409.db2.gz YPUJOZLOCBTUCX-ZDUSSCGKSA-N 0 0 314.382 0.967 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1S(N)(=O)=O ZINC000124108937 158238006 /nfs/dbraw/zinc/23/80/06/158238006.db2.gz KNNFEQMCCZIRNB-NXEZZACHSA-N 0 0 312.391 0.892 10 0 DCAERN CNc1c(Cl)ncnc1NC[C@@](C)(O)CN1CCOCC1 ZINC000124999252 158249719 /nfs/dbraw/zinc/24/97/19/158249719.db2.gz GKEDFVPRQOKNOH-CYBMUJFWSA-N 0 0 315.805 0.667 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000125395531 158255108 /nfs/dbraw/zinc/25/51/08/158255108.db2.gz UTKZVRZPYDXDDB-ZYHUDNBSSA-N 0 0 321.352 0.668 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1cccs1 ZINC000125394588 158255183 /nfs/dbraw/zinc/25/51/83/158255183.db2.gz AYTPPBDCJWOYRN-NXEZZACHSA-N 0 0 309.391 0.590 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)Nc1cnc(N(C)C)nc1 ZINC000125564621 158256079 /nfs/dbraw/zinc/25/60/79/158256079.db2.gz DYDSHVYJMHSFNH-UHFFFAOYSA-N 0 0 300.384 0.552 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000125631438 158257861 /nfs/dbraw/zinc/25/78/61/158257861.db2.gz SLUNUADNKSICHI-MNOVXSKESA-N 0 0 307.325 0.869 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000125885898 158261237 /nfs/dbraw/zinc/26/12/37/158261237.db2.gz QBUGCYURZBHCTF-UHFFFAOYSA-N 0 0 315.373 0.507 10 0 DCAERN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCNC(=O)CC1 ZINC000126147899 158262464 /nfs/dbraw/zinc/26/24/64/158262464.db2.gz YWGFFEBNURITMG-ZIAGYGMSSA-N 0 0 311.426 0.520 10 0 DCAERN COCCCNC(=O)CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126955451 158269136 /nfs/dbraw/zinc/26/91/36/158269136.db2.gz XKXVMZJKWRQTEJ-HNNXBMFYSA-N 0 0 308.378 0.918 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127106695 158270212 /nfs/dbraw/zinc/27/02/12/158270212.db2.gz JGUOJCLEAHYTHB-UONOGXRCSA-N 0 0 310.398 0.958 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000127634571 158273742 /nfs/dbraw/zinc/27/37/42/158273742.db2.gz DRQRQSSGOYCOQY-VXGBXAGGSA-N 0 0 304.412 0.484 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c(C)n1 ZINC000128561494 158280956 /nfs/dbraw/zinc/28/09/56/158280956.db2.gz NBFWVIGBXIPFAB-UHFFFAOYSA-N 0 0 318.377 0.644 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000128449024 158281688 /nfs/dbraw/zinc/28/16/88/158281688.db2.gz FKMYICKOKFYFAD-GXTWGEPZSA-N 0 0 306.362 0.890 10 0 DCAERN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1COc2ccccc21 ZINC000128570293 158282542 /nfs/dbraw/zinc/28/25/42/158282542.db2.gz CWFWCTZSQYDBJU-CMPLNLGQSA-N 0 0 315.329 0.218 10 0 DCAERN O=C(CNC(=O)[C@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000128845820 158283506 /nfs/dbraw/zinc/28/35/06/158283506.db2.gz GKDSYYUDHUFIPH-LLVKDONJSA-N 0 0 324.406 0.087 10 0 DCAERN COc1cccc([C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1 ZINC000130304254 158294927 /nfs/dbraw/zinc/29/49/27/158294927.db2.gz LYNCJLIWALLVIH-UONOGXRCSA-N 0 0 304.346 0.874 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000132060231 158307777 /nfs/dbraw/zinc/30/77/77/158307777.db2.gz LAHWMXPPEZCZIX-GFCCVEGCSA-N 0 0 318.377 0.703 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000132114299 158307953 /nfs/dbraw/zinc/30/79/53/158307953.db2.gz VOSVKZZMBGWPSI-UHFFFAOYSA-N 0 0 321.352 0.555 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C ZINC000132350753 158310199 /nfs/dbraw/zinc/31/01/99/158310199.db2.gz ZBSMKFVDEHLWMB-CQSZACIVSA-N 0 0 317.389 0.770 10 0 DCAERN COCc1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)o1 ZINC000132472066 158310990 /nfs/dbraw/zinc/31/09/90/158310990.db2.gz UFLPGQVLFNZPBL-SNVBAGLBSA-N 0 0 316.379 0.580 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000132711500 158312868 /nfs/dbraw/zinc/31/28/68/158312868.db2.gz IZYJSZKIDRJNBO-MNOVXSKESA-N 0 0 311.407 0.687 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000132688154 158313213 /nfs/dbraw/zinc/31/32/13/158313213.db2.gz CZBICIXITBRNSZ-NWDGAFQWSA-N 0 0 322.413 0.610 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000132944665 158315004 /nfs/dbraw/zinc/31/50/04/158315004.db2.gz FDVFPQGBKCFIGQ-OCCSQVGLSA-N 0 0 323.397 0.229 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000133722604 158321800 /nfs/dbraw/zinc/32/18/00/158321800.db2.gz QTHVRIPBMZMFGE-CQSZACIVSA-N 0 0 322.409 0.395 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000133748214 158322109 /nfs/dbraw/zinc/32/21/09/158322109.db2.gz JGTFEEDYALDWJA-UHFFFAOYSA-N 0 0 314.349 0.867 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324450 158325847 /nfs/dbraw/zinc/32/58/47/158325847.db2.gz RZKKABHJIILGIB-QWHCGFSZSA-N 0 0 317.455 0.398 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000135098953 158334288 /nfs/dbraw/zinc/33/42/88/158334288.db2.gz XCHLAWDJMHDAAT-SKDRFNHKSA-N 0 0 323.315 0.706 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)CC[C@H]1CCOC1)CC2 ZINC000135195155 158334944 /nfs/dbraw/zinc/33/49/44/158334944.db2.gz FIWGSVSWNMOZSK-RYUDHWBXSA-N 0 0 308.382 0.672 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000135344611 158335188 /nfs/dbraw/zinc/33/51/88/158335188.db2.gz DKHPQIKJGKCKDZ-GHMZBOCLSA-N 0 0 305.382 0.660 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(OCCO)CC2)C1 ZINC000135381810 158336315 /nfs/dbraw/zinc/33/63/15/158336315.db2.gz XMGXONBNYZXTGW-GFCCVEGCSA-N 0 0 306.428 0.436 10 0 DCAERN CC(=O)CCN(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000135588251 158339140 /nfs/dbraw/zinc/33/91/40/158339140.db2.gz JDVWIQPKZDISGF-GFCCVEGCSA-N 0 0 316.361 0.762 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000136087821 158341375 /nfs/dbraw/zinc/34/13/75/158341375.db2.gz BLWGGQNYISPDLH-CYBMUJFWSA-N 0 0 306.366 0.019 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136369738 158342842 /nfs/dbraw/zinc/34/28/42/158342842.db2.gz RLMBUWCIUQWECM-CYBMUJFWSA-N 0 0 319.409 0.820 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ccccc2C)C1 ZINC000136338126 158343201 /nfs/dbraw/zinc/34/32/01/158343201.db2.gz SCLNDLZRXKTGMY-CYBMUJFWSA-N 0 0 317.389 0.852 10 0 DCAERN COCCC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000151591526 158348859 /nfs/dbraw/zinc/34/88/59/158348859.db2.gz DMZFKICRJGGTBG-CQSZACIVSA-N 0 0 311.426 0.919 10 0 DCAERN NC(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cn1 ZINC000170225465 158373731 /nfs/dbraw/zinc/37/37/31/158373731.db2.gz FUZYJMOLAFZPSN-NSHDSACASA-N 0 0 313.313 0.750 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562821 158374314 /nfs/dbraw/zinc/37/43/14/158374314.db2.gz IUSBWHHCFSATND-GHMZBOCLSA-N 0 0 320.345 0.655 10 0 DCAERN CCS(=O)(=O)CC(=O)NCCOc1ccc(F)cc1F ZINC000170952742 158377970 /nfs/dbraw/zinc/37/79/70/158377970.db2.gz PQOTURIWSZLRBP-UHFFFAOYSA-N 0 0 307.318 0.895 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171066513 158379460 /nfs/dbraw/zinc/37/94/60/158379460.db2.gz BTMXZUXBRFRAHV-QWRGUYRKSA-N 0 0 323.422 0.329 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000171398923 158381686 /nfs/dbraw/zinc/38/16/86/158381686.db2.gz FUTZMVHWIOYODZ-UWVGGRQHSA-N 0 0 308.300 0.892 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172091913 158390007 /nfs/dbraw/zinc/39/00/07/158390007.db2.gz SNMDYWJOEWWWDG-UWVGGRQHSA-N 0 0 317.436 0.787 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000172423589 158393615 /nfs/dbraw/zinc/39/36/15/158393615.db2.gz QLUQIXWPXHFWDV-GWCFXTLKSA-N 0 0 321.352 0.716 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172449194 158394863 /nfs/dbraw/zinc/39/48/63/158394863.db2.gz OQIVHWFKEGCJIN-MNOVXSKESA-N 0 0 311.407 0.769 10 0 DCAERN CC(C)N(C(=O)CCN1CCCS1(=O)=O)C1CCOCC1 ZINC000172554738 158395924 /nfs/dbraw/zinc/39/59/24/158395924.db2.gz FXAXFTJOUXVSEO-UHFFFAOYSA-N 0 0 318.439 0.828 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172551356 158395943 /nfs/dbraw/zinc/39/59/43/158395943.db2.gz HNSWIPMSGCDMLB-CHWSQXEVSA-N 0 0 321.425 0.923 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750289 158398914 /nfs/dbraw/zinc/39/89/14/158398914.db2.gz KBPYUKUHFBOKHH-OAHLLOKOSA-N 0 0 323.437 0.712 10 0 DCAERN CCOC(=O)CCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000172764542 158399533 /nfs/dbraw/zinc/39/95/33/158399533.db2.gz FUVLNABGOMJLRZ-LBPRGKRZSA-N 0 0 308.382 0.848 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CC=C(c3ccccc3)CC2)nn1 ZINC000173065460 158403086 /nfs/dbraw/zinc/40/30/86/158403086.db2.gz ZUIWRDJXLPJVEC-UHFFFAOYSA-N 0 0 311.345 0.693 10 0 DCAERN O=S(=O)(CC1CCOCC1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000173194388 158403664 /nfs/dbraw/zinc/40/36/64/158403664.db2.gz LZUFYMYWKJUDAU-LSDHHAIUSA-N 0 0 311.403 0.991 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000174408219 158417400 /nfs/dbraw/zinc/41/74/00/158417400.db2.gz FJPRKJVDXBZEFU-LBPRGKRZSA-N 0 0 311.407 0.679 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(Cl)c1 ZINC000179688219 158475238 /nfs/dbraw/zinc/47/52/38/158475238.db2.gz ZZQHZIWUILEBHX-SNVBAGLBSA-N 0 0 318.782 0.523 10 0 DCAERN COc1cc(N2CCN(C(=O)CC3CCOCC3)CC2)ncn1 ZINC000183814796 158502745 /nfs/dbraw/zinc/50/27/45/158502745.db2.gz TWBZBOBVGBWSRK-UHFFFAOYSA-N 0 0 320.393 0.951 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000185012183 158513360 /nfs/dbraw/zinc/51/33/60/158513360.db2.gz RIDHKHIJHSGBLT-UHFFFAOYSA-N 0 0 316.427 0.299 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H](OCCO)C1 ZINC000186193831 158527557 /nfs/dbraw/zinc/52/75/57/158527557.db2.gz SHIBWODSWCGSKA-AWEZNQCLSA-N 0 0 320.389 0.725 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186180438 158527887 /nfs/dbraw/zinc/52/78/87/158527887.db2.gz WZXHKFCPQCKDFM-UHFFFAOYSA-N 0 0 315.439 0.564 10 0 DCAERN Cc1cc(N2CCN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000187267492 158537217 /nfs/dbraw/zinc/53/72/17/158537217.db2.gz BOTBZLMYZQYBFM-OKILXGFUSA-N 0 0 321.425 0.476 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000187901599 158541205 /nfs/dbraw/zinc/54/12/05/158541205.db2.gz WNFIEESRIFYLGD-SNVBAGLBSA-N 0 0 311.288 0.322 10 0 DCAERN CC[C@@H](NC(=O)c1cn2ccnc2s1)C(=O)N1CCOCC1 ZINC000188764247 158547103 /nfs/dbraw/zinc/54/71/03/158547103.db2.gz XNRYZNFCLFXEBJ-SNVBAGLBSA-N 0 0 322.390 0.763 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188885559 158547846 /nfs/dbraw/zinc/54/78/46/158547846.db2.gz PDLQQALYJRWUCJ-ZWNOBZJWSA-N 0 0 306.410 0.953 10 0 DCAERN C[C@H](CC(=O)N1CCCNC(=O)[C@H]1C)NC(=O)C1CCCC1 ZINC000188919287 158548586 /nfs/dbraw/zinc/54/85/86/158548586.db2.gz WTFJPWAHVXXYQB-VXGBXAGGSA-N 0 0 309.410 0.808 10 0 DCAERN O=C(CNC(=O)c1csc(C(F)(F)F)n1)N1CCOCC1 ZINC000189556832 158553870 /nfs/dbraw/zinc/55/38/70/158553870.db2.gz XVBOQBLRAGOZSD-UHFFFAOYSA-N 0 0 323.296 0.751 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCc3ccnc(C)n3)CC2)n[nH]1 ZINC000189693292 158554474 /nfs/dbraw/zinc/55/44/74/158554474.db2.gz XBIUWVIRQCQENJ-UHFFFAOYSA-N 0 0 315.381 0.848 10 0 DCAERN COCCn1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)n1 ZINC000189760047 158555194 /nfs/dbraw/zinc/55/51/94/158555194.db2.gz DYOMQQCSFOBTCH-UHFFFAOYSA-N 0 0 315.337 0.905 10 0 DCAERN CCc1nnc(C2CCN(C(=O)CN3CCCC3=O)CC2)[nH]1 ZINC000191491509 158568298 /nfs/dbraw/zinc/56/82/98/158568298.db2.gz KXXNWRSFKCEVGE-UHFFFAOYSA-N 0 0 305.382 0.696 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000192055612 158574021 /nfs/dbraw/zinc/57/40/21/158574021.db2.gz QJHXMUTXXHKPIM-GJZGRUSLSA-N 0 0 318.373 0.734 10 0 DCAERN C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)N(C)C ZINC000192516059 158575888 /nfs/dbraw/zinc/57/58/88/158575888.db2.gz CLGAKRRBQMJGID-LLVKDONJSA-N 0 0 306.362 0.983 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC[C@H](CO)C2)cc1 ZINC000192692713 158577571 /nfs/dbraw/zinc/57/75/71/158577571.db2.gz RFZDWAOHMVXYMX-LBPRGKRZSA-N 0 0 306.362 0.656 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000192962432 158579643 /nfs/dbraw/zinc/57/96/43/158579643.db2.gz HFNSRPRXWFNBDA-VHSXEESVSA-N 0 0 302.338 0.501 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000226722391 158618664 /nfs/dbraw/zinc/61/86/64/158618664.db2.gz BOUBDOJAVJUNPI-RULNRJAQSA-N 0 0 312.391 0.462 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246959326 158674574 /nfs/dbraw/zinc/67/45/74/158674574.db2.gz SNGHKMKCBGGRIV-MGPQQGTHSA-N 0 0 300.399 0.407 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000247062990 158677040 /nfs/dbraw/zinc/67/70/40/158677040.db2.gz VKKQWUZYTVZYSB-UMNHJUIQSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000248925294 158700255 /nfs/dbraw/zinc/70/02/55/158700255.db2.gz XVRIVXIBIVSNMI-SUNKGSAMSA-N 0 0 304.346 0.952 10 0 DCAERN Nc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000262269104 158791664 /nfs/dbraw/zinc/79/16/64/158791664.db2.gz UHZGKBPAIKQDEA-AWEZNQCLSA-N 0 0 317.389 0.980 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000285504321 158965269 /nfs/dbraw/zinc/96/52/69/158965269.db2.gz MINYLUXYPYZQJZ-KRWDZBQOSA-N 0 0 302.374 0.947 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H](O)C3)C2)cn1 ZINC000304371557 158985459 /nfs/dbraw/zinc/98/54/59/158985459.db2.gz FBVAKQZNQWAVQT-GXTWGEPZSA-N 0 0 307.398 0.555 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[C@@H](O)C1 ZINC000304462079 158985722 /nfs/dbraw/zinc/98/57/22/158985722.db2.gz BLYDXSKIJWJLQG-NOZJJQNGSA-N 0 0 310.300 0.911 10 0 DCAERN COc1ccnc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328618113 159016051 /nfs/dbraw/zinc/01/60/51/159016051.db2.gz UUTYKKLIKFGGAV-CYBMUJFWSA-N 0 0 317.393 0.371 10 0 DCAERN Cc1noc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328637883 159016955 /nfs/dbraw/zinc/01/69/55/159016955.db2.gz DAQQGKFSLQHFJS-ZDUSSCGKSA-N 0 0 305.382 0.259 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328665836 159018523 /nfs/dbraw/zinc/01/85/23/159018523.db2.gz ZNGPDODGMOSUTL-ZIAGYGMSSA-N 0 0 323.418 0.522 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)N2CCOCC2)[nH]1 ZINC000328664591 159018532 /nfs/dbraw/zinc/01/85/32/159018532.db2.gz BVMVLPIOZFPQDR-AAEUAGOBSA-N 0 0 307.398 0.887 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C[C@@H](O)CN2CCCC2=O)[nH]1 ZINC000328670493 159019525 /nfs/dbraw/zinc/01/95/25/159019525.db2.gz MQUCULRSTGNYMA-OLZOCXBDSA-N 0 0 307.398 0.623 10 0 DCAERN Cc1cc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)on1 ZINC000328681705 159020309 /nfs/dbraw/zinc/02/03/09/159020309.db2.gz VGIOWGFJBGBLLX-HNNXBMFYSA-N 0 0 304.394 0.864 10 0 DCAERN O=C(COc1ccccc1O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000328684190 159020539 /nfs/dbraw/zinc/02/05/39/159020539.db2.gz POCUKPTXFDQVDC-AWEZNQCLSA-N 0 0 305.330 0.978 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328697224 159022310 /nfs/dbraw/zinc/02/23/10/159022310.db2.gz DKUGZAKSACBRDQ-WDEREUQCSA-N 0 0 317.411 0.555 10 0 DCAERN O=C(c1c[nH]cn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000328728806 159025087 /nfs/dbraw/zinc/02/50/87/159025087.db2.gz HCKMTNQKJZEBLL-UHFFFAOYSA-N 0 0 310.308 0.959 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)n1 ZINC000328741122 159025668 /nfs/dbraw/zinc/02/56/68/159025668.db2.gz IVKJGKRKXRXMHH-CQSZACIVSA-N 0 0 316.361 0.966 10 0 DCAERN CN(C)c1nc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cc(=O)[nH]1 ZINC000328745547 159025684 /nfs/dbraw/zinc/02/56/84/159025684.db2.gz KZCBQEGCTRUQJC-SNVBAGLBSA-N 0 0 302.338 0.949 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)COC3CCOCC3)[C@@H]2C1 ZINC000328818847 159032436 /nfs/dbraw/zinc/03/24/36/159032436.db2.gz HFDXHZQPVVIREK-KFWWJZLASA-N 0 0 313.394 0.977 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328856217 159035114 /nfs/dbraw/zinc/03/51/14/159035114.db2.gz CXPJAZCTULMXRV-AJNGGQMLSA-N 0 0 312.410 0.502 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328891284 159037993 /nfs/dbraw/zinc/03/79/93/159037993.db2.gz SFXFCUFORNGGPJ-KGLIPLIRSA-N 0 0 317.455 0.368 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884748 159038233 /nfs/dbraw/zinc/03/82/33/159038233.db2.gz OAQOJQMIJBGAAW-PWSUYJOCSA-N 0 0 306.391 0.941 10 0 DCAERN O=C(CCn1cnccc1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328935895 159043876 /nfs/dbraw/zinc/04/38/76/159043876.db2.gz QNBSYUYHPVJFIN-CZUORRHYSA-N 0 0 305.378 0.787 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000328942681 159045297 /nfs/dbraw/zinc/04/52/97/159045297.db2.gz UFAKRLWNFXQMQK-SNVBAGLBSA-N 0 0 303.322 0.128 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328958018 159046961 /nfs/dbraw/zinc/04/69/61/159046961.db2.gz OHEDAMWFCVBYCT-ZIAGYGMSSA-N 0 0 305.378 0.564 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)[N@H+](C)C1 ZINC000329010846 159051873 /nfs/dbraw/zinc/05/18/73/159051873.db2.gz IBKOPEHONRIKHH-IHRRRGAJSA-N 0 0 322.409 0.878 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@@H]2c2nc(C)no2)n1 ZINC000329054853 159055537 /nfs/dbraw/zinc/05/55/37/159055537.db2.gz XMJUJCKNZSIRSM-GFCCVEGCSA-N 0 0 318.333 0.924 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccnn1C1CCCC1 ZINC000329049182 159055633 /nfs/dbraw/zinc/05/56/33/159055633.db2.gz QTPVYURNVNARSB-GXTWGEPZSA-N 0 0 316.365 0.960 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@@H]1c1nc[nH]n1)N1CCCCC1=O ZINC000329099537 159061793 /nfs/dbraw/zinc/06/17/93/159061793.db2.gz ZFJCCBSJXXVGKB-VXGBXAGGSA-N 0 0 321.381 0.496 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000329152198 159067832 /nfs/dbraw/zinc/06/78/32/159067832.db2.gz ANBFLXPFYHKAND-CHWSQXEVSA-N 0 0 305.382 0.088 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329158168 159068294 /nfs/dbraw/zinc/06/82/94/159068294.db2.gz CRRPFPXTKLHWRG-GLQYFDAESA-N 0 0 316.361 0.731 10 0 DCAERN Cn1c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)nnc1C1CCC1 ZINC000329153911 159068504 /nfs/dbraw/zinc/06/85/04/159068504.db2.gz BUUBHTFDTKXZAG-NWDGAFQWSA-N 0 0 310.423 0.702 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194452 159072508 /nfs/dbraw/zinc/07/25/08/159072508.db2.gz SXOQANDNHPKUFM-YIYPIFLZSA-N 0 0 314.451 0.610 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000329199984 159072537 /nfs/dbraw/zinc/07/25/37/159072537.db2.gz WBUUXTOIRGLTTK-OAHLLOKOSA-N 0 0 320.393 0.720 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CCc2ncc[nH]2)CC1 ZINC000329275374 159078581 /nfs/dbraw/zinc/07/85/81/159078581.db2.gz JUWYJRKTMQMWLE-ZDUSSCGKSA-N 0 0 319.409 0.107 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@@](C)(OC)C2)nn1 ZINC000329333889 159083258 /nfs/dbraw/zinc/08/32/58/159083258.db2.gz NSUQKZUHPQJCTO-UMVBOHGHSA-N 0 0 324.381 0.506 10 0 DCAERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329359732 159085199 /nfs/dbraw/zinc/08/51/99/159085199.db2.gz BXJSZNKXOAYNNW-OIMNJJJWSA-N 0 0 324.381 0.504 10 0 DCAERN O=C(c1nc(C2CC2)n2ccccc12)N1C[C@H](O)C[C@@H]1CO ZINC000329373533 159086290 /nfs/dbraw/zinc/08/62/90/159086290.db2.gz NBZRQGQVMKERGR-VXGBXAGGSA-N 0 0 301.346 0.779 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329416099 159090329 /nfs/dbraw/zinc/09/03/29/159090329.db2.gz GDRZMQPKCJXJOZ-AGIUHOORSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCS1(=O)=O ZINC000329436868 159092329 /nfs/dbraw/zinc/09/23/29/159092329.db2.gz MCQAKTZQVJLGRS-VIFPVBQESA-N 0 0 324.358 0.926 10 0 DCAERN COc1ncccc1N(C)C(=O)CCN1CCCS1(=O)=O ZINC000329460902 159094304 /nfs/dbraw/zinc/09/43/04/159094304.db2.gz SEJYRWXCJLZQLW-UHFFFAOYSA-N 0 0 313.379 0.479 10 0 DCAERN O=C(Cc1noc(-c2cc3n(n2)CCCO3)n1)N1CCCC1 ZINC000329474085 159096222 /nfs/dbraw/zinc/09/62/22/159096222.db2.gz BNJADEFMONFMPM-UHFFFAOYSA-N 0 0 303.322 0.881 10 0 DCAERN O=C(c1cn(C2CCOCC2)nn1)N1CCN(C2CC2)CC1 ZINC000329506614 159098304 /nfs/dbraw/zinc/09/83/04/159098304.db2.gz IWHZYVGFXMRRKA-UHFFFAOYSA-N 0 0 305.382 0.550 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329515750 159098856 /nfs/dbraw/zinc/09/88/56/159098856.db2.gz ORUQSHAKEJNJOS-USZNOCQGSA-N 0 0 304.337 0.182 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NCCN2CCOC(C)(C)C2)CCO1 ZINC000329581310 159104900 /nfs/dbraw/zinc/10/49/00/159104900.db2.gz LFZXSLQZCZYSPL-CHWSQXEVSA-N 0 0 320.455 0.584 10 0 DCAERN C[C@]12CCCN1C[C@@H](c1noc(CN3CCOCC3=O)n1)OC2 ZINC000329653059 159108915 /nfs/dbraw/zinc/10/89/15/159108915.db2.gz DPBUIAVGAASLQS-XHDPSFHLSA-N 0 0 322.365 0.354 10 0 DCAERN O=C(Cc1noc([C@@H]2CCCN2C2CC2)n1)N1CCOCC1 ZINC000329683313 159111846 /nfs/dbraw/zinc/11/18/46/159111846.db2.gz SWRGMPAYCRYUSH-LBPRGKRZSA-N 0 0 306.366 0.770 10 0 DCAERN CCC[C@@]1(CO)CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000329724392 159115136 /nfs/dbraw/zinc/11/51/36/159115136.db2.gz NYOVPYIFCNOLFQ-DVOMOZLQSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCN(Cc2ccon2)CC1 ZINC000329771385 159118661 /nfs/dbraw/zinc/11/86/61/159118661.db2.gz JUAIXIWYJSNAJQ-UHFFFAOYSA-N 0 0 305.386 0.734 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C)C(=O)C1(C)C ZINC000329780744 159119013 /nfs/dbraw/zinc/11/90/13/159119013.db2.gz SCRGSLAOSOFDRR-SNVBAGLBSA-N 0 0 313.423 0.377 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1csc2cncn21 ZINC000329879275 159126008 /nfs/dbraw/zinc/12/60/08/159126008.db2.gz MACVDAJYBFPPSP-MRVPVSSYSA-N 0 0 314.392 0.289 10 0 DCAERN O=C(CN1CCn2ncnc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329940376 159130126 /nfs/dbraw/zinc/13/01/26/159130126.db2.gz BOTXESCGOOBRCO-CHWSQXEVSA-N 0 0 305.382 0.264 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@]2(CCOC2)O1 ZINC000330067114 159139493 /nfs/dbraw/zinc/13/94/93/159139493.db2.gz UEIMAAKYLCKFPD-YCPHGPKFSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H](C)S1=O ZINC000330137967 159144769 /nfs/dbraw/zinc/14/47/69/159144769.db2.gz IDBCVKIROIANHX-UWVGGRQHSA-N 0 0 306.391 0.950 10 0 DCAERN O=C(CS(=O)(=O)[C@@H]1CCOC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000330135112 159144932 /nfs/dbraw/zinc/14/49/32/159144932.db2.gz MQGRHMMKAXSDQA-AGIUHOORSA-N 0 0 317.407 0.360 10 0 DCAERN Cc1cc(C(=O)NCCc2nnc3n2CCCC3)nc(C)n1 ZINC000330151238 159145383 /nfs/dbraw/zinc/14/53/83/159145383.db2.gz LIAICAXJRZPXDL-UHFFFAOYSA-N 0 0 300.366 0.994 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)c2cncc3nncn32)C1 ZINC000330157656 159146300 /nfs/dbraw/zinc/14/63/00/159146300.db2.gz ZJEADOQGRXUAKS-CYBMUJFWSA-N 0 0 302.382 0.671 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@H]2CCCOC2)C[C@]2(CCOC2)O1 ZINC000330158325 159146389 /nfs/dbraw/zinc/14/63/89/159146389.db2.gz PYCUTDACASRULA-JSGCOSHPSA-N 0 0 319.423 0.765 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CC[C@H]3CCC[C@H]31)c2=O ZINC000330286714 159156805 /nfs/dbraw/zinc/15/68/05/159156805.db2.gz AVHRVAQIVRTYCN-ZYHUDNBSSA-N 0 0 301.350 0.531 10 0 DCAERN Cn1ccnc1N1CCN(C(=O)[C@]2(C)CCCNC2=O)CC1 ZINC000330287398 159156989 /nfs/dbraw/zinc/15/69/89/159156989.db2.gz BDYLTGZXPGUDSN-OAHLLOKOSA-N 0 0 305.382 0.825 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cc[nH]n2)CC(=O)N1C ZINC000330299233 159157713 /nfs/dbraw/zinc/15/77/13/159157713.db2.gz MESIGAIDNQUYIU-IUODEOHRSA-N 0 0 302.382 0.822 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000330405050 159169733 /nfs/dbraw/zinc/16/97/33/159169733.db2.gz XLLCCZJBBHWIOI-NWDGAFQWSA-N 0 0 324.343 0.869 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cn1 ZINC000330509265 159183221 /nfs/dbraw/zinc/18/32/21/159183221.db2.gz BAUMJJDFVCJKKJ-UWVGGRQHSA-N 0 0 304.343 0.574 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000330627741 159204917 /nfs/dbraw/zinc/20/49/17/159204917.db2.gz KNVZCPGUXRRHRG-IJLUTSLNSA-N 0 0 318.439 0.182 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@H]2c2ncnn2C)C1 ZINC000332755942 159212926 /nfs/dbraw/zinc/21/29/26/159212926.db2.gz KVQJNBJHWGCXHK-OLZOCXBDSA-N 0 0 322.413 0.382 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)CN1CCOCC1 ZINC000332907668 159216847 /nfs/dbraw/zinc/21/68/47/159216847.db2.gz UFZJLXCAZZXDJQ-APIJFGDWSA-N 0 0 312.410 0.122 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@H]3CCC[C@H]32)n1 ZINC000359249035 159256268 /nfs/dbraw/zinc/25/62/68/159256268.db2.gz UYJRZDJWKKZRHL-DGCLKSJQSA-N 0 0 303.362 0.760 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCCO[C@@H](C)C2)n1 ZINC000359249000 159256527 /nfs/dbraw/zinc/25/65/27/159256527.db2.gz UXGSBIJZXIMZLB-LBPRGKRZSA-N 0 0 321.377 0.386 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@H](C)OC[C@@H]2C)n1 ZINC000359253396 159257041 /nfs/dbraw/zinc/25/70/41/159257041.db2.gz YPCYJLVDSDYLME-RYUDHWBXSA-N 0 0 321.377 0.385 10 0 DCAERN O=C1[C@H](Nc2ncccn2)CCCN1CCN1CCOCC1 ZINC000364685038 159275422 /nfs/dbraw/zinc/27/54/22/159275422.db2.gz KIBABESTEUAWCO-CYBMUJFWSA-N 0 0 305.382 0.212 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000367042279 159307471 /nfs/dbraw/zinc/30/74/71/159307471.db2.gz FYAFVOSYDSLXOC-ZIAGYGMSSA-N 0 0 319.471 0.109 10 0 DCAERN C[C@@H](COCC(F)(F)F)NC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000367481231 159340768 /nfs/dbraw/zinc/34/07/68/159340768.db2.gz RVRKNYNCCCOPGL-IUCAKERBSA-N 0 0 311.304 0.861 10 0 DCAERN Cn1cnn(CC(=O)N2CCC(C3CCOCC3)CC2)c1=O ZINC000368019002 159370816 /nfs/dbraw/zinc/37/08/16/159370816.db2.gz JBCIOHTYZWBODW-UHFFFAOYSA-N 0 0 308.382 0.247 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000368490957 159397969 /nfs/dbraw/zinc/39/79/69/159397969.db2.gz RFPPVZVLYIIKIQ-PKWAYOAASA-N 0 0 324.327 0.907 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000371812487 159587237 /nfs/dbraw/zinc/58/72/37/159587237.db2.gz HTJWNJXMCICCNR-WOPDTQHZSA-N 0 0 323.393 0.517 10 0 DCAERN C[C@H](C(=O)N1CCN(c2nnnn2C)CC1)c1cccs1 ZINC000372015834 159597788 /nfs/dbraw/zinc/59/77/88/159597788.db2.gz OCDVVGRAVQVTEE-JTQLQIEISA-N 0 0 306.395 0.724 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H](c1cnn(C)c1)c1ccccc1 ZINC000374653800 159744672 /nfs/dbraw/zinc/74/46/72/159744672.db2.gz DQMWHWHAUOZMCE-GJZGRUSLSA-N 0 0 318.377 0.816 10 0 DCAERN Cn1c2cccc(C(=O)N3CCN4CCOC[C@H]4C3)c2oc1=O ZINC000374960248 159762530 /nfs/dbraw/zinc/76/25/30/159762530.db2.gz FNPJFQFXTAVSBB-LLVKDONJSA-N 0 0 317.345 0.288 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000374971531 159763739 /nfs/dbraw/zinc/76/37/39/159763739.db2.gz RQOWCXIAQOXFKJ-CQSZACIVSA-N 0 0 304.346 0.630 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000375021183 159766469 /nfs/dbraw/zinc/76/64/69/159766469.db2.gz ZPCZHXPLJVKIMG-CQSZACIVSA-N 0 0 321.425 0.771 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@](F)(CO)C1 ZINC000376443734 159858425 /nfs/dbraw/zinc/85/84/25/159858425.db2.gz WCOOIKMGPAHOHV-QMTHXVAHSA-N 0 0 310.329 0.086 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cncc(O)c1 ZINC000377956527 159953355 /nfs/dbraw/zinc/95/33/55/159953355.db2.gz ZQZHTHZJMBAJMC-CYBMUJFWSA-N 0 0 305.334 0.297 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000407959304 159997310 /nfs/dbraw/zinc/99/73/10/159997310.db2.gz VLDOBVWUDRTLHJ-UHFFFAOYSA-N 0 0 312.391 0.903 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)C(=O)N1CCCC[C@@H]1C ZINC000407972059 159999653 /nfs/dbraw/zinc/99/96/53/159999653.db2.gz RVQKPXRWVGPEJA-AVGNSLFASA-N 0 0 324.425 0.648 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)C(=O)N1CCCC[C@H]1C ZINC000407972056 160000230 /nfs/dbraw/zinc/00/02/30/160000230.db2.gz RVQKPXRWVGPEJA-AGIUHOORSA-N 0 0 324.425 0.648 10 0 DCAERN CO[C@H](C)c1nsc(N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000407973805 160000258 /nfs/dbraw/zinc/00/02/58/160000258.db2.gz BHPLEQJKLMFLNN-HTQZYQBOSA-N 0 0 306.413 0.503 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CC(=O)N1C ZINC000407974023 160000895 /nfs/dbraw/zinc/00/08/95/160000895.db2.gz ZUEMUHRUANQUFC-LLVKDONJSA-N 0 0 310.398 0.307 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)[nH]1 ZINC000407981581 160001601 /nfs/dbraw/zinc/00/16/01/160001601.db2.gz UXMMNFOCCJJFNH-PSASIEDQSA-N 0 0 300.384 0.600 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000407988069 160003401 /nfs/dbraw/zinc/00/34/01/160003401.db2.gz GBEZCVHFLMEELH-KBPBESRZSA-N 0 0 311.426 0.424 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000407987342 160003941 /nfs/dbraw/zinc/00/39/41/160003941.db2.gz CJRDDRQUYHSMID-MRXNPFEDSA-N 0 0 307.394 0.374 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C1 ZINC000407988981 160004723 /nfs/dbraw/zinc/00/47/23/160004723.db2.gz WFLNSYPTDRWQRG-CHWSQXEVSA-N 0 0 312.414 0.903 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@]1(O)CCOC1 ZINC000407993163 160005342 /nfs/dbraw/zinc/00/53/42/160005342.db2.gz LXEFMMVZUJUDTC-IAQYHMDHSA-N 0 0 323.397 0.687 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407992775 160005524 /nfs/dbraw/zinc/00/55/24/160005524.db2.gz ULWGGJMBGIFKAK-BDAKNGLRSA-N 0 0 323.315 0.752 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000407995844 160006099 /nfs/dbraw/zinc/00/60/99/160006099.db2.gz MXFZUICDDSTLIC-SSDOTTSWSA-N 0 0 317.333 0.230 10 0 DCAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@@H](CO)C1 ZINC000408003409 160008225 /nfs/dbraw/zinc/00/82/25/160008225.db2.gz RPIAOZLAOBTANI-WDEREUQCSA-N 0 0 310.316 0.480 10 0 DCAERN COCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1 ZINC000408008737 160009587 /nfs/dbraw/zinc/00/95/87/160009587.db2.gz OHGLHIFTVXXCGW-ZDUSSCGKSA-N 0 0 312.410 0.633 10 0 DCAERN CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[C@H]2O)CCOCC1 ZINC000408013316 160011150 /nfs/dbraw/zinc/01/11/50/160011150.db2.gz KZHSGZYKCPRURB-VXGBXAGGSA-N 0 0 319.423 0.248 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015857 160012477 /nfs/dbraw/zinc/01/24/77/160012477.db2.gz FVIDIMFNTIMEGM-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000408019187 160012876 /nfs/dbraw/zinc/01/28/76/160012876.db2.gz WZFRMQQHNWJHBI-PHIMTYICSA-N 0 0 314.411 0.537 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408021924 160013847 /nfs/dbraw/zinc/01/38/47/160013847.db2.gz KJNWRMXOWWHODT-RYUDHWBXSA-N 0 0 313.423 0.425 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCC(C)CC1 ZINC000408025387 160014850 /nfs/dbraw/zinc/01/48/50/160014850.db2.gz BFPQAUWHYOTJLD-QWHCGFSZSA-N 0 0 306.428 0.699 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000408029225 160015616 /nfs/dbraw/zinc/01/56/16/160015616.db2.gz HEZPOENYEAXIKK-HNNXBMFYSA-N 0 0 305.378 0.371 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408027252 160015684 /nfs/dbraw/zinc/01/56/84/160015684.db2.gz MJMUPRGMQRNAMJ-FVCCEPFGSA-N 0 0 322.427 0.076 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)CC2CCOCC2)CC(C)(C)O1 ZINC000408029805 160015770 /nfs/dbraw/zinc/01/57/70/160015770.db2.gz YVVJNBVONKPDAC-CYBMUJFWSA-N 0 0 321.439 0.869 10 0 DCAERN CNC(=O)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000408029373 160015802 /nfs/dbraw/zinc/01/58/02/160015802.db2.gz XCQRKWAIUZNPNM-QMMMGPOBSA-N 0 0 318.299 0.891 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408027250 160016036 /nfs/dbraw/zinc/01/60/36/160016036.db2.gz MJMUPRGMQRNAMJ-CYDGBPFRSA-N 0 0 322.427 0.076 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)cc1F ZINC000408030087 160016781 /nfs/dbraw/zinc/01/67/81/160016781.db2.gz JLTXOBZMYQMKSD-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000408031705 160017144 /nfs/dbraw/zinc/01/71/44/160017144.db2.gz ORXCFBJZAOZIEQ-SNVBAGLBSA-N 0 0 323.378 0.859 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000408034187 160017916 /nfs/dbraw/zinc/01/79/16/160017916.db2.gz CNUTYRYZPYFYQI-GWCFXTLKSA-N 0 0 306.366 0.187 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408041843 160020266 /nfs/dbraw/zinc/02/02/66/160020266.db2.gz FCFBVHFAQXBEFY-NDBYEHHHSA-N 0 0 313.373 0.054 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041290 160020398 /nfs/dbraw/zinc/02/03/98/160020398.db2.gz GAKLGZSBDVWAJO-AAVRWANBSA-N 0 0 305.440 0.529 10 0 DCAERN CN(C)c1noc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000408042702 160020935 /nfs/dbraw/zinc/02/09/35/160020935.db2.gz IALCIQJAEPDRTR-JHJVBQTASA-N 0 0 310.398 0.888 10 0 DCAERN O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1Cc1nnnn1C1CC1 ZINC000408045212 160021290 /nfs/dbraw/zinc/02/12/90/160021290.db2.gz QIEWTQYYLDSXNC-MGPQQGTHSA-N 0 0 307.398 0.760 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408047201 160022399 /nfs/dbraw/zinc/02/23/99/160022399.db2.gz FRXZXTBPHONDPM-NWDGAFQWSA-N 0 0 313.423 0.235 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1=O ZINC000408051354 160023608 /nfs/dbraw/zinc/02/36/08/160023608.db2.gz HKFCXCICWZQJGS-SYQHCUMBSA-N 0 0 310.394 0.243 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408052298 160023778 /nfs/dbraw/zinc/02/37/78/160023778.db2.gz LCHMZSQAIRREDK-BFHYXJOUSA-N 0 0 313.442 0.898 10 0 DCAERN O=C(c1cccnc1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053755 160024172 /nfs/dbraw/zinc/02/41/72/160024172.db2.gz PLFKGLAKRJBIGA-OLZOCXBDSA-N 0 0 307.325 0.493 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC[C@@H]2CCO[C@H](C)C2)C1 ZINC000408053669 160024326 /nfs/dbraw/zinc/02/43/26/160024326.db2.gz IPSOQQLEWVLYSK-XNRPHZJLSA-N 0 0 312.410 0.681 10 0 DCAERN O=C(C1CCN(c2cnccn2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000408054388 160024623 /nfs/dbraw/zinc/02/46/23/160024623.db2.gz RRUNQRDVXFOUIA-STQMWFEESA-N 0 0 308.357 0.624 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C(N)=O ZINC000408057165 160025119 /nfs/dbraw/zinc/02/51/19/160025119.db2.gz QGRXFTRDWKJPBE-NTZNESFSSA-N 0 0 307.394 0.357 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)[C@H](C)CO1 ZINC000408056332 160025327 /nfs/dbraw/zinc/02/53/27/160025327.db2.gz GFGFSIIDNHLDIQ-GHMZBOCLSA-N 0 0 302.400 0.206 10 0 DCAERN O=C(CO)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000408056933 160025355 /nfs/dbraw/zinc/02/53/55/160025355.db2.gz NQNUHVPKWUJLHZ-UHFFFAOYSA-N 0 0 302.378 0.484 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000408070222 160028036 /nfs/dbraw/zinc/02/80/36/160028036.db2.gz HWIFXCPVRXEQNN-VXGBXAGGSA-N 0 0 303.428 0.059 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2c(C)cnn2C)CC(C)(C)O1 ZINC000408073457 160029308 /nfs/dbraw/zinc/02/93/08/160029308.db2.gz UBKJOXJKXRIFOZ-LLVKDONJSA-N 0 0 317.411 0.543 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C[C@H](C)O1 ZINC000408076609 160029924 /nfs/dbraw/zinc/02/99/24/160029924.db2.gz LERKXYYFBIMDHQ-USZNOCQGSA-N 0 0 304.412 0.470 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000408079846 160030819 /nfs/dbraw/zinc/03/08/19/160030819.db2.gz KVIUKJNMYUMTFP-HNNXBMFYSA-N 0 0 310.394 0.653 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCOC(C)(C)[C@@H]2C)cn1 ZINC000408089829 160033683 /nfs/dbraw/zinc/03/36/83/160033683.db2.gz AYRGBGZJSJAUEL-JTQLQIEISA-N 0 0 309.370 0.660 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@H]1O ZINC000408092016 160034077 /nfs/dbraw/zinc/03/40/77/160034077.db2.gz WVOYIGNZULUNGW-IONNQARKSA-N 0 0 305.787 0.709 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408091820 160034260 /nfs/dbraw/zinc/03/42/60/160034260.db2.gz IXPFTPZXPQTDGV-WCABBAIRSA-N 0 0 311.411 0.718 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408091821 160034480 /nfs/dbraw/zinc/03/44/80/160034480.db2.gz IXPFTPZXPQTDGV-YWVKMMECSA-N 0 0 311.411 0.718 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C[C@H]1O ZINC000408093448 160034597 /nfs/dbraw/zinc/03/45/97/160034597.db2.gz VSHKLWGNTLWJRX-HZSPNIEDSA-N 0 0 319.409 0.858 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 ZINC000408095623 160034964 /nfs/dbraw/zinc/03/49/64/160034964.db2.gz OJKKNQAKQRSZSZ-UHFFFAOYSA-N 0 0 314.345 0.307 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@H]2CCOC2)C1 ZINC000408100580 160035894 /nfs/dbraw/zinc/03/58/94/160035894.db2.gz YQWPAJYNJSKBSG-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408099448 160036017 /nfs/dbraw/zinc/03/60/17/160036017.db2.gz ZXDGFPUXVOKFBU-QJPTWQEYSA-N 0 0 316.423 0.232 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1 ZINC000408102940 160036320 /nfs/dbraw/zinc/03/63/20/160036320.db2.gz DXNRXCLEROEXDY-UHFFFAOYSA-N 0 0 306.366 0.207 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000408104689 160036386 /nfs/dbraw/zinc/03/63/86/160036386.db2.gz QSUUIXRTESKCAI-HNNXBMFYSA-N 0 0 306.410 0.847 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000408103458 160036407 /nfs/dbraw/zinc/03/64/07/160036407.db2.gz AXMJFBFIQXYPMZ-GHMZBOCLSA-N 0 0 318.464 0.525 10 0 DCAERN CC(C)[C@@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408104605 160036596 /nfs/dbraw/zinc/03/65/96/160036596.db2.gz FWWCDCBPCWOBAR-JHJVBQTASA-N 0 0 320.455 0.727 10 0 DCAERN CCn1nccc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408111662 160038020 /nfs/dbraw/zinc/03/80/20/160038020.db2.gz GJJXEPOOOROVHB-SECBINFHSA-N 0 0 301.372 0.058 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000408120150 160040297 /nfs/dbraw/zinc/04/02/97/160040297.db2.gz CVRDZTDZWRONOZ-ZDUSSCGKSA-N 0 0 318.439 0.543 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@@](F)(CO)C3)nc2n1 ZINC000408119456 160040411 /nfs/dbraw/zinc/04/04/11/160040411.db2.gz JBTIHKQMFXCONG-HNNXBMFYSA-N 0 0 321.356 0.607 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000408120462 160041122 /nfs/dbraw/zinc/04/11/22/160041122.db2.gz GVKLPWWFBDJDNL-GFCCVEGCSA-N 0 0 304.412 0.153 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCC[C@](F)(CO)C1 ZINC000408122297 160042336 /nfs/dbraw/zinc/04/23/36/160042336.db2.gz VUDWFACPHXVVEM-OAHLLOKOSA-N 0 0 308.309 0.954 10 0 DCAERN CNC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408128287 160042782 /nfs/dbraw/zinc/04/27/82/160042782.db2.gz IPNNWCNHGDWEEY-LBPRGKRZSA-N 0 0 307.394 0.374 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000408129455 160043697 /nfs/dbraw/zinc/04/36/97/160043697.db2.gz PPHOHYMQPAKMNW-WDEREUQCSA-N 0 0 313.423 0.283 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408133904 160044208 /nfs/dbraw/zinc/04/42/08/160044208.db2.gz QFKDKPYBHKXVTP-SECBINFHSA-N 0 0 304.334 0.267 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408133906 160044519 /nfs/dbraw/zinc/04/45/19/160044519.db2.gz QFKDKPYBHKXVTP-VIFPVBQESA-N 0 0 304.334 0.267 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408132207 160044544 /nfs/dbraw/zinc/04/45/44/160044544.db2.gz IVMICRSKDLZUBB-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1=O ZINC000408139334 160045864 /nfs/dbraw/zinc/04/58/64/160045864.db2.gz OINOCAXQLYHINP-ZDUSSCGKSA-N 0 0 302.334 0.631 10 0 DCAERN CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(F)(F)F ZINC000408138735 160046335 /nfs/dbraw/zinc/04/63/35/160046335.db2.gz NEDIYEIMZHLHEG-MRVPVSSYSA-N 0 0 323.358 0.778 10 0 DCAERN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143766 160046927 /nfs/dbraw/zinc/04/69/27/160046927.db2.gz BWAZBCSSXSXZOO-MNOVXSKESA-N 0 0 312.391 0.849 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000408148957 160048579 /nfs/dbraw/zinc/04/85/79/160048579.db2.gz IUKCLWFYBNLKQQ-NSHDSACASA-N 0 0 312.391 0.993 10 0 DCAERN CC1CC(NC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000408149051 160048604 /nfs/dbraw/zinc/04/86/04/160048604.db2.gz JMGGWJZVPSYRAG-MMVSWEMESA-N 0 0 303.428 0.945 10 0 DCAERN Cc1cncn1C1CCN(C(=O)CS(=O)(=O)N(C)C)CC1 ZINC000408159119 160050062 /nfs/dbraw/zinc/05/00/62/160050062.db2.gz PIMHSIJWVIOHBJ-UHFFFAOYSA-N 0 0 314.411 0.246 10 0 DCAERN COc1nc(C)cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000408163880 160050105 /nfs/dbraw/zinc/05/01/05/160050105.db2.gz FGXCMPXIXKYTCL-CYBMUJFWSA-N 0 0 320.393 0.869 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408166220 160051138 /nfs/dbraw/zinc/05/11/38/160051138.db2.gz XIWUBKVUJRCKFP-VHSXEESVSA-N 0 0 309.395 0.381 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000408186733 160054923 /nfs/dbraw/zinc/05/49/23/160054923.db2.gz WONGOOJNERLDJN-SNVBAGLBSA-N 0 0 300.384 0.355 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000408185843 160055072 /nfs/dbraw/zinc/05/50/72/160055072.db2.gz NHDCGNFRMOAIFA-NSHDSACASA-N 0 0 300.384 0.355 10 0 DCAERN Cc1ccc([C@@H]2COCCN2C(=O)CS(=O)(=O)N(C)C)o1 ZINC000408185397 160055234 /nfs/dbraw/zinc/05/52/34/160055234.db2.gz JIMREWWIJXKDGH-NSHDSACASA-N 0 0 316.379 0.379 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1cccn1C ZINC000408185528 160055386 /nfs/dbraw/zinc/05/53/86/160055386.db2.gz KMZSPKXJNJXHOO-ZDUSSCGKSA-N 0 0 313.423 0.970 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000408186449 160055514 /nfs/dbraw/zinc/05/55/14/160055514.db2.gz HZVUCBBCFSASBN-QWRGUYRKSA-N 0 0 302.396 0.238 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000408194820 160056607 /nfs/dbraw/zinc/05/66/07/160056607.db2.gz JMCKMOFUUBLFRN-ARNPGYACSA-N 0 0 303.428 0.452 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)NC2CCC(C(=O)NC)CC2)CC(=O)N1 ZINC000408197482 160057495 /nfs/dbraw/zinc/05/74/95/160057495.db2.gz JMPRZLHTJCCNAB-CMOBGSAGSA-N 0 0 309.410 0.712 10 0 DCAERN O=C(C(=O)N1CCN(CC[C@H]2CCCCO2)CC1)N1CCCC1 ZINC000408195519 160057517 /nfs/dbraw/zinc/05/75/17/160057517.db2.gz QKUYHPQDTNUBLM-OAHLLOKOSA-N 0 0 323.437 0.712 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)N1CCOCC1 ZINC000408203511 160059290 /nfs/dbraw/zinc/05/92/90/160059290.db2.gz LKYJGHXYNHMCKM-ZIAGYGMSSA-N 0 0 307.398 0.237 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408204022 160059318 /nfs/dbraw/zinc/05/93/18/160059318.db2.gz SPOZXPNXRNEMFW-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)N1CCc2ccccc21 ZINC000408201896 160059488 /nfs/dbraw/zinc/05/94/88/160059488.db2.gz GSIQVASNZJNEKA-LBPRGKRZSA-N 0 0 309.391 0.922 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)CC1CCOCC1 ZINC000408205259 160059834 /nfs/dbraw/zinc/05/98/34/160059834.db2.gz JSDPSFATSIFVSX-SNVBAGLBSA-N 0 0 309.409 0.291 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408206390 160059871 /nfs/dbraw/zinc/05/98/71/160059871.db2.gz TVHVOMPABNFRBO-OLZOCXBDSA-N 0 0 309.410 0.618 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1O ZINC000408211119 160060668 /nfs/dbraw/zinc/06/06/68/160060668.db2.gz MSUCUDSMUDJJQI-WDEREUQCSA-N 0 0 311.382 0.184 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408210084 160060975 /nfs/dbraw/zinc/06/09/75/160060975.db2.gz YBBRRDWRPIGAHC-KGLIPLIRSA-N 0 0 324.425 0.588 10 0 DCAERN CCc1ocnc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408212644 160061424 /nfs/dbraw/zinc/06/14/24/160061424.db2.gz YEIZOIUFEHCYJA-LBPRGKRZSA-N 0 0 321.377 0.948 10 0 DCAERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000408221722 160062851 /nfs/dbraw/zinc/06/28/51/160062851.db2.gz KPNIGIUGXGRNRK-QFYYESIMSA-N 0 0 323.393 0.793 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408221321 160063185 /nfs/dbraw/zinc/06/31/85/160063185.db2.gz GGJDINRHMSZLGS-GYSYKLTISA-N 0 0 320.455 0.618 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408230107 160064385 /nfs/dbraw/zinc/06/43/85/160064385.db2.gz BXTXFMYHSAOWLS-UMNHJUIQSA-N 0 0 315.364 0.699 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000408232857 160065265 /nfs/dbraw/zinc/06/52/65/160065265.db2.gz WPZGZUVTHMICNM-HUUCEWRRSA-N 0 0 306.410 0.994 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408234408 160065483 /nfs/dbraw/zinc/06/54/83/160065483.db2.gz FCHPSAMIISJSKL-BDAKNGLRSA-N 0 0 305.425 0.895 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)C[C@@H]2CCCCO2)CC1=O ZINC000408235796 160066156 /nfs/dbraw/zinc/06/61/56/160066156.db2.gz FWQUFDLSVSUUQF-NDBYEHHHSA-N 0 0 316.423 0.484 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000408240375 160067114 /nfs/dbraw/zinc/06/71/14/160067114.db2.gz MKJTYRPLEKRIJJ-AWEZNQCLSA-N 0 0 318.421 0.575 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)CN2CSCC2=O)CC1(C)C ZINC000408243685 160067695 /nfs/dbraw/zinc/06/76/95/160067695.db2.gz JRYIEDIQPOMGAN-UHFFFAOYSA-N 0 0 313.423 0.377 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000408241510 160067714 /nfs/dbraw/zinc/06/77/14/160067714.db2.gz XKTLZECKAZCIIO-ZDUSSCGKSA-N 0 0 318.377 0.003 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)Cn2cccnc2=O)CC1(C)C ZINC000408246043 160068329 /nfs/dbraw/zinc/06/83/29/160068329.db2.gz YMHXFCFETOLBFC-UHFFFAOYSA-N 0 0 306.366 0.101 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408244442 160068547 /nfs/dbraw/zinc/06/85/47/160068547.db2.gz DEAQVMCDMWUMIW-HEHGZKQESA-N 0 0 310.394 0.699 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)CCS1(=O)=O ZINC000408243701 160068579 /nfs/dbraw/zinc/06/85/79/160068579.db2.gz JVCSFQWOPQVWNH-GIGQVBGESA-N 0 0 322.452 0.116 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408247369 160068960 /nfs/dbraw/zinc/06/89/60/160068960.db2.gz UUYORCYENCSBGJ-OAHLLOKOSA-N 0 0 311.382 0.497 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408249308 160069083 /nfs/dbraw/zinc/06/90/83/160069083.db2.gz ZPMCUGHFZHLVDH-INIZCTEOSA-N 0 0 309.410 0.668 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3COCC[C@@H]32)o1 ZINC000408249481 160069265 /nfs/dbraw/zinc/06/92/65/160069265.db2.gz XEGJIZIZBNGWAZ-UWVGGRQHSA-N 0 0 314.363 0.568 10 0 DCAERN COCc1nc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cs1 ZINC000408249322 160069345 /nfs/dbraw/zinc/06/93/45/160069345.db2.gz SBQOLDCSDKDCNW-UHFFFAOYSA-N 0 0 318.420 0.939 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408253060 160069847 /nfs/dbraw/zinc/06/98/47/160069847.db2.gz WOYVMARXGFAYRE-MLGOLLRUSA-N 0 0 322.409 0.309 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000408272768 160073645 /nfs/dbraw/zinc/07/36/45/160073645.db2.gz IXHHXTDSUGLRHT-HZSPNIEDSA-N 0 0 311.426 0.517 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000408272536 160073689 /nfs/dbraw/zinc/07/36/89/160073689.db2.gz FLIXVHHJRFBZPD-HNNXBMFYSA-N 0 0 323.324 0.948 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)N(C(C)=O)C1 ZINC000408275043 160074363 /nfs/dbraw/zinc/07/43/63/160074363.db2.gz SEJWHUVURPASHE-DZGCQCFKSA-N 0 0 320.393 0.752 10 0 DCAERN CNC(=O)c1ccc(N2CCC(N3CCCC3=O)CC2)nn1 ZINC000408275760 160074520 /nfs/dbraw/zinc/07/45/20/160074520.db2.gz BMDPEJBCDJUBNG-UHFFFAOYSA-N 0 0 303.366 0.427 10 0 DCAERN CC(=O)NC1CN(C(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000408279483 160075052 /nfs/dbraw/zinc/07/50/52/160075052.db2.gz JOTJYWDMFRQUNP-UHFFFAOYSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000408294472 160078306 /nfs/dbraw/zinc/07/83/06/160078306.db2.gz MXDBMUPXTDMANJ-NEPJUHHUSA-N 0 0 323.393 0.565 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCNC(=O)[C@H]1C ZINC000408293517 160078318 /nfs/dbraw/zinc/07/83/18/160078318.db2.gz YYLUBSSREFQIQT-MRVPVSSYSA-N 0 0 318.333 0.186 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408293914 160078440 /nfs/dbraw/zinc/07/84/40/160078440.db2.gz JBOCDAHPIXIGRO-IONNQARKSA-N 0 0 302.327 0.068 10 0 DCAERN CCN1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ncc[nH]1 ZINC000408294692 160078443 /nfs/dbraw/zinc/07/84/43/160078443.db2.gz OHVSZJLCOKHVOW-ZDUSSCGKSA-N 0 0 305.382 0.093 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000408301326 160080022 /nfs/dbraw/zinc/08/00/22/160080022.db2.gz RLQRCZXAAMYOCE-AGIUHOORSA-N 0 0 324.425 0.600 10 0 DCAERN CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408301861 160080064 /nfs/dbraw/zinc/08/00/64/160080064.db2.gz CVHUWDDZDXAFOD-MJBXVCDLSA-N 0 0 319.471 0.803 10 0 DCAERN O=C([C@H]1CCSC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000408305921 160081381 /nfs/dbraw/zinc/08/13/81/160081381.db2.gz OCEHDNXHODHUPM-NSHDSACASA-N 0 0 318.406 0.526 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000408312753 160083263 /nfs/dbraw/zinc/08/32/63/160083263.db2.gz CAEWEOJLVQXOEN-ZJUUUORDSA-N 0 0 302.396 0.114 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)O1 ZINC000408317757 160083908 /nfs/dbraw/zinc/08/39/08/160083908.db2.gz ATOHARAUIYJIPD-GRYCIOLGSA-N 0 0 304.412 0.342 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@H]1C ZINC000408321700 160085105 /nfs/dbraw/zinc/08/51/05/160085105.db2.gz RUUKZLDKYWNAHP-JLLWLGSASA-N 0 0 314.407 0.565 10 0 DCAERN C[C@H](NS(=O)(=O)CC1CCCC1)C(=O)N1CCOCC1 ZINC000408335792 160087580 /nfs/dbraw/zinc/08/75/80/160087580.db2.gz JXEYGLMKVCTIJF-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN CC1(C)CN(C(=O)[C@H](CO)NC(N)=O)CC[C@H]1C(F)(F)F ZINC000408341719 160088126 /nfs/dbraw/zinc/08/81/26/160088126.db2.gz IGDMHVPKXAMZBG-JGVFFNPUSA-N 0 0 311.304 0.453 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408339450 160088128 /nfs/dbraw/zinc/08/81/28/160088128.db2.gz BZPVKIWAXAQJMI-UMVBOHGHSA-N 0 0 304.394 0.804 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408349055 160089415 /nfs/dbraw/zinc/08/94/15/160089415.db2.gz GNVBTDMQPWPSNE-WBMJQRKESA-N 0 0 315.377 0.820 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408349499 160089470 /nfs/dbraw/zinc/08/94/70/160089470.db2.gz QIHQVWSRWIFNBY-ZDUSSCGKSA-N 0 0 324.425 0.509 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000408351728 160090148 /nfs/dbraw/zinc/09/01/48/160090148.db2.gz HZKRULOSVHLJLO-UHFFFAOYSA-N 0 0 320.802 0.316 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)C(C)C)C[C@H]1OC ZINC000408358741 160091529 /nfs/dbraw/zinc/09/15/29/160091529.db2.gz PWSRUXGEZMLSJK-BFHYXJOUSA-N 0 0 312.410 0.896 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357424 160091592 /nfs/dbraw/zinc/09/15/92/160091592.db2.gz WOOJZEYDYHAYMS-NXEZZACHSA-N 0 0 312.395 0.045 10 0 DCAERN CC(C)(O)C1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000408366078 160093382 /nfs/dbraw/zinc/09/33/82/160093382.db2.gz KLMDAFJRMOHLRD-VXGBXAGGSA-N 0 0 318.439 0.755 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](CO)C2)C1 ZINC000408370290 160094111 /nfs/dbraw/zinc/09/41/11/160094111.db2.gz IZNZCMUQPUJRAS-OLZOCXBDSA-N 0 0 312.410 0.491 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](O)C1(C)C ZINC000408377370 160095100 /nfs/dbraw/zinc/09/51/00/160095100.db2.gz PRZVSZXHMXZVDW-MRVPVSSYSA-N 0 0 318.420 0.689 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H](O)C1(C)C ZINC000408377372 160095282 /nfs/dbraw/zinc/09/52/82/160095282.db2.gz PRZVSZXHMXZVDW-QMMMGPOBSA-N 0 0 318.420 0.689 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1=O ZINC000408381049 160095855 /nfs/dbraw/zinc/09/58/55/160095855.db2.gz GTVKRKBDVAWIGW-XQHKEYJVSA-N 0 0 322.409 0.304 10 0 DCAERN C[C@@H]1Oc2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc2NC1=O ZINC000408380008 160096174 /nfs/dbraw/zinc/09/61/74/160096174.db2.gz SAHYOOLOCAOHBM-GXSJLCMTSA-N 0 0 321.333 0.631 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cncnc1 ZINC000408387471 160097398 /nfs/dbraw/zinc/09/73/98/160097398.db2.gz XXFAHCXGEKHCHX-QWRGUYRKSA-N 0 0 312.395 0.072 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408387164 160097400 /nfs/dbraw/zinc/09/74/00/160097400.db2.gz QRHKTCUJZXUWAC-VIFPVBQESA-N 0 0 306.819 0.836 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@H](O)C2)[C@@H]1c1cnn(C)c1 ZINC000408388334 160097741 /nfs/dbraw/zinc/09/77/41/160097741.db2.gz CDCORVDMTIFFAG-YDHLFZDLSA-N 0 0 320.393 0.313 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[C@@H]2C)C1 ZINC000408391241 160098082 /nfs/dbraw/zinc/09/80/82/160098082.db2.gz BOKKEIIGIYTOHA-SDDRHHMPSA-N 0 0 303.428 0.754 10 0 DCAERN CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000408388616 160098469 /nfs/dbraw/zinc/09/84/69/160098469.db2.gz WGAPTGDMPVTGFW-UHFFFAOYSA-N 0 0 320.802 0.492 10 0 DCAERN O=C(c1cnn2ncccc12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408397706 160100634 /nfs/dbraw/zinc/10/06/34/160100634.db2.gz WJMJINWEHPBWLI-NSHDSACASA-N 0 0 300.240 0.869 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000408420717 160104054 /nfs/dbraw/zinc/10/40/54/160104054.db2.gz ZKMQUJJWNZRLET-DGCLKSJQSA-N 0 0 316.361 0.836 10 0 DCAERN C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408420703 160104336 /nfs/dbraw/zinc/10/43/36/160104336.db2.gz ZELRMDZZBUFOBJ-JHJVBQTASA-N 0 0 320.455 0.823 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CCO)CCC2)[C@@H](C)CO1 ZINC000408436226 160107454 /nfs/dbraw/zinc/10/74/54/160107454.db2.gz WQEQMAWKQFSUGR-NWDGAFQWSA-N 0 0 306.428 0.483 10 0 DCAERN CN1CCN(CC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1=O ZINC000408438038 160107485 /nfs/dbraw/zinc/10/74/85/160107485.db2.gz DVSZOGWRCHRCGH-CHWSQXEVSA-N 0 0 311.426 0.016 10 0 DCAERN CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000408438173 160107648 /nfs/dbraw/zinc/10/76/48/160107648.db2.gz GGQARBNSIYALPI-JQWIXIFHSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000408455704 160112070 /nfs/dbraw/zinc/11/20/70/160112070.db2.gz DVCDKLIAAPPVEW-MRXNPFEDSA-N 0 0 321.377 0.691 10 0 DCAERN CCN(CCO)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303060 286910017 /nfs/dbraw/zinc/91/00/17/286910017.db2.gz VFTCQRUBZQQPJN-UHFFFAOYSA-N 0 0 301.364 0.405 10 0 DCAERN CC(C)NC(=O)CCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072561448 286911214 /nfs/dbraw/zinc/91/12/14/286911214.db2.gz HVYRENDHWHLUEY-UHFFFAOYSA-N 0 0 317.353 0.699 10 0 DCAERN CCc1cnc(CCNC(=O)NCCNS(C)(=O)=O)s1 ZINC000075809255 286918763 /nfs/dbraw/zinc/91/87/63/286918763.db2.gz CTKXSSAFNUDJMR-UHFFFAOYSA-N 0 0 320.440 0.096 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@](C)(O)CCC(C)C ZINC000081484927 286929155 /nfs/dbraw/zinc/92/91/55/286929155.db2.gz IMVMHTUNCUONJZ-CQSZACIVSA-N 0 0 322.471 0.961 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C)cc2C)C1 ZINC000091414276 286936021 /nfs/dbraw/zinc/93/60/21/286936021.db2.gz SUZYCUGBLRMAHW-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN C[C@H](CN([C@@H](C)CS(C)(=O)=O)C1CC1)CS(C)(=O)=O ZINC000119179157 298518378 /nfs/dbraw/zinc/51/83/78/298518378.db2.gz HHWCCCJMSSIQMT-MNOVXSKESA-N 0 0 311.469 0.565 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000127686884 286979123 /nfs/dbraw/zinc/97/91/23/286979123.db2.gz FSKQTRHDLBRXJU-TVQRCGJNSA-N 0 0 309.414 0.921 10 0 DCAERN NC(=O)c1ccc(NC(=O)CNC(=O)c2cccs2)cn1 ZINC000127695229 286979127 /nfs/dbraw/zinc/97/91/27/286979127.db2.gz SHUUQQRQKRAMTL-UHFFFAOYSA-N 0 0 304.331 0.611 10 0 DCAERN Cc1ccccc1-c1nc(Cn2nnc3c(cnn3C)c2=O)no1 ZINC000128544470 286983553 /nfs/dbraw/zinc/98/35/53/286983553.db2.gz IRTOUCRTJOQLBG-UHFFFAOYSA-N 0 0 323.316 0.932 10 0 DCAERN CCn1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)cn1 ZINC000128491928 286983309 /nfs/dbraw/zinc/98/33/09/286983309.db2.gz HJQHZSPRFLLSOH-UHFFFAOYSA-N 0 0 309.370 0.215 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000130995221 286997614 /nfs/dbraw/zinc/99/76/14/286997614.db2.gz XNPAJYUBGBOGOM-UHFFFAOYSA-N 0 0 316.361 0.960 10 0 DCAERN Cc1noc(CCNS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000131952712 287002998 /nfs/dbraw/zinc/00/29/98/287002998.db2.gz UHQDFSYUEPZSHQ-NXEZZACHSA-N 0 0 302.400 0.733 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](CO)c1ccccc1 ZINC000131526959 287001046 /nfs/dbraw/zinc/00/10/46/287001046.db2.gz QZMARNLCWQYBPK-OAHLLOKOSA-N 0 0 313.357 0.704 10 0 DCAERN COc1cc(C)cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC000134390360 287016174 /nfs/dbraw/zinc/01/61/74/287016174.db2.gz RXLJRMCXZMBRKJ-JSGCOSHPSA-N 0 0 306.362 0.864 10 0 DCAERN CC(C)[C@H](O)CNC(=O)CCCC(=O)NC[C@@H](O)C(C)C ZINC000134240717 287015510 /nfs/dbraw/zinc/01/55/10/287015510.db2.gz MTNGBUMGVFDTEN-CHWSQXEVSA-N 0 0 302.415 0.423 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000134335359 287015718 /nfs/dbraw/zinc/01/57/18/287015718.db2.gz TTXBFDPUPVHFFJ-GFCCVEGCSA-N 0 0 303.428 0.011 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)CC(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000150961958 287031518 /nfs/dbraw/zinc/03/15/18/287031518.db2.gz AFAPCPFXJJDRKW-YNEHKIRRSA-N 0 0 300.399 0.489 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@@H]1C ZINC000150727046 287030301 /nfs/dbraw/zinc/03/03/01/287030301.db2.gz NEVAWVIFSTXIQE-STQMWFEESA-N 0 0 300.399 0.755 10 0 DCAERN CCCNC(=O)CCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000150755007 287030786 /nfs/dbraw/zinc/03/07/86/287030786.db2.gz FHCGDJZWJMJWPP-UHFFFAOYSA-N 0 0 302.338 0.907 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](COC)C1CC1 ZINC000151757262 287036088 /nfs/dbraw/zinc/03/60/88/287036088.db2.gz XXYIJKZODCHJOR-STQMWFEESA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H](C)CO ZINC000151863783 287036757 /nfs/dbraw/zinc/03/67/57/287036757.db2.gz YGQWQGHLYKWQKM-GHMZBOCLSA-N 0 0 316.361 0.718 10 0 DCAERN Cc1cnn(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2)c1 ZINC000152126979 287039096 /nfs/dbraw/zinc/03/90/96/287039096.db2.gz SIAFIBVEIAGIDL-ZDUSSCGKSA-N 0 0 312.329 0.716 10 0 DCAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000152129386 287039111 /nfs/dbraw/zinc/03/91/11/287039111.db2.gz RBMUSCINTDBWDH-HQJQHLMTSA-N 0 0 312.272 0.654 10 0 DCAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCC1=CCCC1 ZINC000152226114 287039658 /nfs/dbraw/zinc/03/96/58/287039658.db2.gz QEAPSCNUZJNSFH-OAHLLOKOSA-N 0 0 311.426 0.821 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000177367036 287054644 /nfs/dbraw/zinc/05/46/44/287054644.db2.gz XTXWJEBHAWMJIN-MCIONIFRSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CCO1 ZINC000181014402 287056225 /nfs/dbraw/zinc/05/62/25/287056225.db2.gz AZQFGTXQDCVNQE-JTQLQIEISA-N 0 0 315.395 0.136 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C(C)(C)C ZINC000245484226 287069911 /nfs/dbraw/zinc/06/99/11/287069911.db2.gz GZSOQXVTYRNZRF-QJPTWQEYSA-N 0 0 308.444 0.991 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)[C@H](C)CO1 ZINC000245643306 287071660 /nfs/dbraw/zinc/07/16/60/287071660.db2.gz SSMDUAPGVGFEOX-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)[C@H]1CCCO1 ZINC000245680111 287071957 /nfs/dbraw/zinc/07/19/57/287071957.db2.gz JWAXJYNPOLLXEK-HBNTYKKESA-N 0 0 306.428 0.634 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000245868031 287073812 /nfs/dbraw/zinc/07/38/12/287073812.db2.gz KHBPTHDWNSFUPL-HRDYMLBCSA-N 0 0 320.333 0.195 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)CC(=O)OC)C[C@H]1C ZINC000246102209 287076944 /nfs/dbraw/zinc/07/69/44/287076944.db2.gz NEVAWVIFSTXIQE-CHWSQXEVSA-N 0 0 300.399 0.755 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246226277 287079674 /nfs/dbraw/zinc/07/96/74/287079674.db2.gz VZIZVLHMVXYHFQ-STQMWFEESA-N 0 0 308.444 0.130 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)[C@@H]1CCCN1c1nccs1 ZINC000246163508 287078167 /nfs/dbraw/zinc/07/81/67/287078167.db2.gz MOQCPDCNXQUNQM-QWRGUYRKSA-N 0 0 308.407 0.897 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246479059 287083876 /nfs/dbraw/zinc/08/38/76/287083876.db2.gz JQVXZONSNMQVJV-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000247381964 287093295 /nfs/dbraw/zinc/09/32/95/287093295.db2.gz IBIDZQCJNOMXBK-QDDONVENSA-N 0 0 301.416 0.806 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000247006118 287090232 /nfs/dbraw/zinc/09/02/32/287090232.db2.gz ISCIMSXOPXQVOU-FRRDWIJNSA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000247110129 287091427 /nfs/dbraw/zinc/09/14/27/287091427.db2.gz OZFRFRBEJAVSIJ-IJLUTSLNSA-N 0 0 303.428 0.597 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000247224927 287092026 /nfs/dbraw/zinc/09/20/26/287092026.db2.gz CGTXHLNPQOHSHY-VXGBXAGGSA-N 0 0 303.428 0.421 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[S@@](C)=O)C1 ZINC000248497886 287098113 /nfs/dbraw/zinc/09/81/13/287098113.db2.gz RLTOYUGXAAMFST-QLMNROTDSA-N 0 0 317.455 0.844 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000248781465 287101631 /nfs/dbraw/zinc/10/16/31/287101631.db2.gz BWMITJUWSNQABP-FTFVXWMISA-N 0 0 315.439 0.596 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC000248919394 287103492 /nfs/dbraw/zinc/10/34/92/287103492.db2.gz VMGOUPUGANBXNX-KWCYVHTRSA-N 0 0 310.394 0.903 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000249556050 287113902 /nfs/dbraw/zinc/11/39/02/287113902.db2.gz MEILFOPLFHHSTL-QJPTWQEYSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)cn1 ZINC000249578954 287114589 /nfs/dbraw/zinc/11/45/89/287114589.db2.gz QHYDDUCKUVUAEI-OUAUKWLOSA-N 0 0 308.382 0.926 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N(C)Cc1nccn1C ZINC000301939628 287141735 /nfs/dbraw/zinc/14/17/35/287141735.db2.gz TWSURBQLGQRXET-UHFFFAOYSA-N 0 0 315.337 0.369 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CSCCS2)C[C@@H]1C ZINC000246483621 685164545 /nfs/dbraw/zinc/16/45/45/685164545.db2.gz HVDKNJPUIPCYFC-SRVKXCTJSA-N 0 0 304.481 0.749 10 0 DCAERN Cc1csc([C@H](C)NC(=O)NCCCn2cc(CO)nn2)n1 ZINC000358789165 287213577 /nfs/dbraw/zinc/21/35/77/287213577.db2.gz HFHUMUVAZXUARX-JTQLQIEISA-N 0 0 324.410 0.986 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000363885404 287220427 /nfs/dbraw/zinc/22/04/27/287220427.db2.gz WGXKDITVZBJNCV-ZDUSSCGKSA-N 0 0 305.378 0.843 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000408061430 287233214 /nfs/dbraw/zinc/23/32/14/287233214.db2.gz JYWDFOPRYJKUQR-JQWIXIFHSA-N 0 0 320.411 0.273 10 0 DCAERN C[C@H](CNC(=O)c1csc(NC2CC2)n1)S(N)(=O)=O ZINC000543849684 412298352 /nfs/dbraw/zinc/29/83/52/412298352.db2.gz RFJSWLMSSGFUCX-ZCFIWIBFSA-N 0 0 304.397 0.124 10 0 DCAERN COc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)nn1C ZINC000519866776 412435205 /nfs/dbraw/zinc/43/52/05/412435205.db2.gz RTVJYZJTNMFSKP-LLVKDONJSA-N 0 0 311.386 0.397 10 0 DCAERN CC(C)C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N1CCOCC1 ZINC000026067213 415164988 /nfs/dbraw/zinc/16/49/88/415164988.db2.gz XIFPGUXBJUTOPP-CYBMUJFWSA-N 0 0 322.409 0.257 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)cc1 ZINC000037846168 415194384 /nfs/dbraw/zinc/19/43/84/415194384.db2.gz WWOIQESNCIHCEN-ZJUUUORDSA-N 0 0 313.151 0.510 10 0 DCAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](N)CC(N)=O ZINC000040851449 415199140 /nfs/dbraw/zinc/19/91/40/415199140.db2.gz SSXQJSAPEOMVCW-JTQLQIEISA-N 0 0 303.284 0.867 10 0 DCAERN CC(C)(C)c1cn2nc(NCCS(N)(=O)=O)sc2n1 ZINC000044978800 415240425 /nfs/dbraw/zinc/24/04/25/415240425.db2.gz MIPBZYQWKAVIPI-UHFFFAOYSA-N 0 0 303.413 0.789 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H](C)NC(N)=O ZINC000045330966 415246955 /nfs/dbraw/zinc/24/69/55/415246955.db2.gz SSXBLLYIZPRCTO-SNVBAGLBSA-N 0 0 324.356 0.347 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000342713049 415265691 /nfs/dbraw/zinc/26/56/91/415265691.db2.gz JTMOPPZPVKXTAK-PWSUYJOCSA-N 0 0 316.423 0.469 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)cc1F ZINC000063090598 415350697 /nfs/dbraw/zinc/35/06/97/415350697.db2.gz JPJSLCXQNIZTSH-BDAKNGLRSA-N 0 0 318.370 0.949 10 0 DCAERN NC(=O)c1cnc2n1CCN(C(=O)c1noc3c1CCCC3)C2 ZINC000065409536 415353790 /nfs/dbraw/zinc/35/37/90/415353790.db2.gz JPYJTFPYQKAKIL-UHFFFAOYSA-N 0 0 315.333 0.505 10 0 DCAERN CCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1 ZINC000049139229 415304201 /nfs/dbraw/zinc/30/42/01/415304201.db2.gz YGBDLNACGVIUCA-UHFFFAOYSA-N 0 0 300.384 0.582 10 0 DCAERN CSc1ccc(CNC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000056354597 415334485 /nfs/dbraw/zinc/33/44/85/415334485.db2.gz FMQXGUOJRQUIHY-UHFFFAOYSA-N 0 0 305.359 0.575 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccs1 ZINC000071829145 415408128 /nfs/dbraw/zinc/40/81/28/415408128.db2.gz VKVLJBSPPUPIEE-SNVBAGLBSA-N 0 0 309.391 0.557 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCN(C)CC2)[C@@H]1c1cccnc1 ZINC000074164210 415430119 /nfs/dbraw/zinc/43/01/19/415430119.db2.gz FHWYWMAJIITJSB-ZFWWWQNUSA-N 0 0 302.378 0.375 10 0 DCAERN Cn1c2c(nc1[C@H]1CCCN1CC(=O)NC(N)=O)CCCC2 ZINC000276024267 415413345 /nfs/dbraw/zinc/41/33/45/415413345.db2.gz QVYJHTSUAXEKPO-GFCCVEGCSA-N 0 0 305.382 0.631 10 0 DCAERN CC(=O)C1(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000353061801 415421758 /nfs/dbraw/zinc/42/17/58/415421758.db2.gz GYCWGGGJQDZAKH-QWRGUYRKSA-N 0 0 302.396 0.190 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCN(C)CC2)[C@H]1c1cccnc1 ZINC000074164204 415428791 /nfs/dbraw/zinc/42/87/91/415428791.db2.gz FHWYWMAJIITJSB-UKRRQHHQSA-N 0 0 302.378 0.375 10 0 DCAERN CC(=O)N[C@H](CC(=O)Nc1nccn(C)c1=O)c1ccccc1 ZINC000085733145 415503706 /nfs/dbraw/zinc/50/37/06/415503706.db2.gz PNIYHZCIYJQKCF-CYBMUJFWSA-N 0 0 314.345 0.986 10 0 DCAERN CC[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)OC ZINC000084370812 415497892 /nfs/dbraw/zinc/49/78/92/415497892.db2.gz RKRKPXIHQPEBJH-GFCCVEGCSA-N 0 0 306.366 0.761 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCCOC1 ZINC000084542312 415498170 /nfs/dbraw/zinc/49/81/70/415498170.db2.gz QZRDJMJDJGZFQU-SNVBAGLBSA-N 0 0 316.379 0.747 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)c2cnn(C)c2)cc1 ZINC000080035717 415474750 /nfs/dbraw/zinc/47/47/50/415474750.db2.gz UUVGVKBLVUNXMY-UHFFFAOYSA-N 0 0 302.334 0.822 10 0 DCAERN Cc1cc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cnn1 ZINC000276353138 415475269 /nfs/dbraw/zinc/47/52/69/415475269.db2.gz LLPRSMUBQHPSDO-AWEZNQCLSA-N 0 0 318.377 0.639 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000332800771 415479932 /nfs/dbraw/zinc/47/99/32/415479932.db2.gz WUGKNEUOGLSFEA-DUVNUKRYSA-N 0 0 311.426 0.205 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCCO)cc1 ZINC000094946993 415548417 /nfs/dbraw/zinc/54/84/17/415548417.db2.gz HAGJPLGQJUOVCH-JTQLQIEISA-N 0 0 300.380 0.486 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CO[C@@H](C)C3)CCO2)n1 ZINC000333080608 415550103 /nfs/dbraw/zinc/55/01/03/415550103.db2.gz QKCSERKAWQOPBN-BPNCWPANSA-N 0 0 308.382 0.547 10 0 DCAERN CN1C(=O)N[C@@H]2CN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC[C@@H]21 ZINC000333140730 415569370 /nfs/dbraw/zinc/56/93/70/415569370.db2.gz JIEANYUJEOWIRZ-RXGFPQBGSA-N 0 0 313.423 0.603 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000333317840 415608912 /nfs/dbraw/zinc/60/89/12/415608912.db2.gz AMUPORLSKKRSGW-BTTYYORXSA-N 0 0 308.426 0.590 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)s1 ZINC000103443449 415618592 /nfs/dbraw/zinc/61/85/92/415618592.db2.gz WNPKACLJVGVUBP-RITPCOANSA-N 0 0 319.180 0.571 10 0 DCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333364842 415626201 /nfs/dbraw/zinc/62/62/01/415626201.db2.gz YFTWALJXCHEJAX-UZMCECQYSA-N 0 0 306.362 0.815 10 0 DCAERN COc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1O ZINC000105569937 415631672 /nfs/dbraw/zinc/63/16/72/415631672.db2.gz OUGZATYPZPQOPS-GFCCVEGCSA-N 0 0 306.362 0.948 10 0 DCAERN Cc1nnc([C@H](NC(=O)NCC(=O)N(C)C)c2ccccc2)[nH]1 ZINC000105086407 415632458 /nfs/dbraw/zinc/63/24/58/415632458.db2.gz NBICIKXJBYQMHR-CYBMUJFWSA-N 0 0 316.365 0.590 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCC[C@@H](n2cncn2)C1 ZINC000105884463 415634345 /nfs/dbraw/zinc/63/43/45/415634345.db2.gz HUVCJWAZWSJMHT-LLVKDONJSA-N 0 0 319.390 0.933 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000353719117 415636757 /nfs/dbraw/zinc/63/67/57/415636757.db2.gz HNOAEVRWEZRNKD-NWDGAFQWSA-N 0 0 308.382 1.565 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)C1=O ZINC000333412399 415640104 /nfs/dbraw/zinc/64/01/04/415640104.db2.gz KINORZOUAWFCRB-OUAUKWLOSA-N 0 0 318.395 0.009 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@@H]2CCCC[C@@H]2O)cn1 ZINC000333444919 415654087 /nfs/dbraw/zinc/65/40/87/415654087.db2.gz XFDGWWZJBFIZAT-MQYQWHSLSA-N 0 0 308.382 0.853 10 0 DCAERN CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H]1CC(=O)NC1=O ZINC000107239193 415658782 /nfs/dbraw/zinc/65/87/82/415658782.db2.gz YUUINPDWPVBUKX-LLVKDONJSA-N 0 0 314.301 0.614 10 0 DCAERN C[NH+](C)C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000107304962 415663395 /nfs/dbraw/zinc/66/33/95/415663395.db2.gz XTQHJYLJWCUVKJ-SNVBAGLBSA-N 0 0 308.407 0.747 10 0 DCAERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CN1CC(=O)NC1=O ZINC000115721024 415727663 /nfs/dbraw/zinc/72/76/63/415727663.db2.gz XPNKZHOBJHREIL-DGCLKSJQSA-N 0 0 301.346 0.943 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000115329159 415728495 /nfs/dbraw/zinc/72/84/95/415728495.db2.gz RDWXJHBJRSGFGQ-SECBINFHSA-N 0 0 308.363 0.351 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112093947 415706596 /nfs/dbraw/zinc/70/65/96/415706596.db2.gz COUPWUNFZGXAQP-ZDUSSCGKSA-N 0 0 316.427 0.479 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N[C@H]3CCc4ncnn4C3)nn2)c1 ZINC000112657285 415712735 /nfs/dbraw/zinc/71/27/35/415712735.db2.gz VDBFDGXVSOYRPU-LBPRGKRZSA-N 0 0 323.360 0.912 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N[C@@H]3CCc4ncnn4C3)nn2)c1 ZINC000112657282 415712813 /nfs/dbraw/zinc/71/28/13/415712813.db2.gz VDBFDGXVSOYRPU-GFCCVEGCSA-N 0 0 323.360 0.912 10 0 DCAERN CSc1nsc(NC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000120251272 415761389 /nfs/dbraw/zinc/76/13/89/415761389.db2.gz SYWURTLLFVEOBY-ZCFIWIBFSA-N 0 0 311.396 0.988 10 0 DCAERN CC[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000333896290 415762029 /nfs/dbraw/zinc/76/20/29/415762029.db2.gz ROSNUAFSOABGAN-AXFHLTTASA-N 0 0 305.400 0.016 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1C ZINC000120489187 415769838 /nfs/dbraw/zinc/76/98/38/415769838.db2.gz UCGCERBPHXGLCU-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000120523313 415770481 /nfs/dbraw/zinc/77/04/81/415770481.db2.gz UTYNMYBTEBZYMD-QWRGUYRKSA-N 0 0 314.407 0.684 10 0 DCAERN CC(CO)(CO)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000120585071 415775822 /nfs/dbraw/zinc/77/58/22/415775822.db2.gz DYIJLJSMJDXMCE-SSDOTTSWSA-N 0 0 321.299 0.393 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122352679 415832112 /nfs/dbraw/zinc/83/21/12/415832112.db2.gz UCSHCSKNDBVALF-GFCCVEGCSA-N 0 0 324.402 0.887 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCS1(=O)=O ZINC000122360283 415834117 /nfs/dbraw/zinc/83/41/17/415834117.db2.gz KIIHGQIALVHVGH-SECBINFHSA-N 0 0 314.338 0.410 10 0 DCAERN CNC(=O)CNC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000122558486 415834602 /nfs/dbraw/zinc/83/46/02/415834602.db2.gz HQJNYPDJDWYCJJ-UHFFFAOYSA-N 0 0 301.350 0.726 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123286235 415839870 /nfs/dbraw/zinc/83/98/70/415839870.db2.gz JETLKGMIOQUBSC-AWEZNQCLSA-N 0 0 319.471 0.496 10 0 DCAERN Cc1conc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000123939572 415845040 /nfs/dbraw/zinc/84/50/40/415845040.db2.gz OEZOHQXEAHRGBW-UHFFFAOYSA-N 0 0 300.274 0.625 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000120836049 415786935 /nfs/dbraw/zinc/78/69/35/415786935.db2.gz YCQQGMHNGSSGRB-RKDXNWHRSA-N 0 0 303.409 0.734 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CCCCO)C2CC2)C[C@H](C)O1 ZINC000121498479 415803246 /nfs/dbraw/zinc/80/32/46/415803246.db2.gz AQXNLMAZDRQIDC-TXEJJXNPSA-N 0 0 306.428 0.577 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000121579114 415812365 /nfs/dbraw/zinc/81/23/65/415812365.db2.gz NZAASUIKMCMEAI-UHFFFAOYSA-N 0 0 300.318 0.945 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000128475436 415898294 /nfs/dbraw/zinc/89/82/94/415898294.db2.gz GRLSFNMTCARUKA-JQWIXIFHSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H](c1ccccc1)N(CC(N)=O)C[C@@H](O)CN1CCCC1=O ZINC000130779027 415923090 /nfs/dbraw/zinc/92/30/90/415923090.db2.gz BPMRGVLJXWZEKZ-HIFRSBDPSA-N 0 0 319.405 0.518 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000130949512 415923180 /nfs/dbraw/zinc/92/31/80/415923180.db2.gz BKWFGBMUAUTAPZ-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)n1 ZINC000133100037 415941987 /nfs/dbraw/zinc/94/19/87/415941987.db2.gz QGVBUOGSUOIVEG-UHFFFAOYSA-N 0 0 303.322 0.799 10 0 DCAERN COCc1cccc(CNC(=O)CN2C[C@@H](OC)C[C@H]2CO)c1 ZINC000344670915 415969562 /nfs/dbraw/zinc/96/95/62/415969562.db2.gz DTBLKGSRCUYXGN-HOTGVXAUSA-N 0 0 322.405 0.531 10 0 DCAERN CCc1ccc(CCNC(=O)C2CC3(C2)NC(=O)NC3=O)cc1 ZINC000158727665 416001441 /nfs/dbraw/zinc/00/14/41/416001441.db2.gz ANGGMJJGDXEVKC-UHFFFAOYSA-N 0 0 315.373 0.896 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153004579 415973611 /nfs/dbraw/zinc/97/36/11/415973611.db2.gz XXABXFSULVYDSA-UHFFFAOYSA-N 0 0 306.370 0.151 10 0 DCAERN C[C@H](CC(=O)N[C@H]1CCC(=O)NC1=O)C(=O)c1cccc(F)c1 ZINC000153421326 415981306 /nfs/dbraw/zinc/98/13/06/415981306.db2.gz AJQFXRHDZOBSIY-SKDRFNHKSA-N 0 0 320.320 0.956 10 0 DCAERN CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@@H](C)c1cccnc1 ZINC000153533430 415983061 /nfs/dbraw/zinc/98/30/61/415983061.db2.gz YFYPSRZBLFYPEX-NSHDSACASA-N 0 0 306.366 0.196 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155127782 415994310 /nfs/dbraw/zinc/99/43/10/415994310.db2.gz HBKYUHJIWVSCQD-LBPRGKRZSA-N 0 0 320.455 0.427 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)N[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000337694411 415997698 /nfs/dbraw/zinc/99/76/98/415997698.db2.gz AGCJJBAWVKJVJQ-RISCZKNCSA-N 0 0 317.389 0.762 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H]1C ZINC000132341107 415932623 /nfs/dbraw/zinc/93/26/23/415932623.db2.gz GKUMCLCSOQSJMG-WDEREUQCSA-N 0 0 303.366 0.635 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000172216800 416043852 /nfs/dbraw/zinc/04/38/52/416043852.db2.gz GNVQUTWLRVTIHE-UHFFFAOYSA-N 0 0 323.378 0.661 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767533 416047364 /nfs/dbraw/zinc/04/73/64/416047364.db2.gz FHOXAAMGFIHIFY-JSGCOSHPSA-N 0 0 321.377 0.331 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H](C)NC(N)=O)C2=O)cc1 ZINC000172844684 416048842 /nfs/dbraw/zinc/04/88/42/416048842.db2.gz GIYOJEJLNRSRGM-DGCLKSJQSA-N 0 0 318.377 0.663 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 ZINC000173028914 416051657 /nfs/dbraw/zinc/05/16/57/416051657.db2.gz GTZWZDJSRDJKFW-LBPRGKRZSA-N 0 0 321.402 0.700 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000173030849 416052116 /nfs/dbraw/zinc/05/21/16/416052116.db2.gz VPBQSPZEGZAJEX-MRXNPFEDSA-N 0 0 302.330 0.505 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000173129668 416053801 /nfs/dbraw/zinc/05/38/01/416053801.db2.gz QEQSCVAORBLLFC-ZWNOBZJWSA-N 0 0 303.362 0.772 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000173210086 416053905 /nfs/dbraw/zinc/05/39/05/416053905.db2.gz MEFOHDFSNRLBIR-STQMWFEESA-N 0 0 308.444 0.946 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000173116836 416054333 /nfs/dbraw/zinc/05/43/33/416054333.db2.gz URVBQFWGKPTCOX-MRVPVSSYSA-N 0 0 321.312 0.402 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@H]2c2ccncc2)nn1 ZINC000173261548 416055191 /nfs/dbraw/zinc/05/51/91/416055191.db2.gz LEKJHYQGBYVPDF-LBPRGKRZSA-N 0 0 300.322 0.136 10 0 DCAERN CCSCC[C@@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000173287422 416055197 /nfs/dbraw/zinc/05/51/97/416055197.db2.gz KJZZVTRFBYRKBR-SNVBAGLBSA-N 0 0 323.422 0.778 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000173300923 416055260 /nfs/dbraw/zinc/05/52/60/416055260.db2.gz YIJABBKEWHTIJN-LLVKDONJSA-N 0 0 303.428 0.011 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000173241407 416055906 /nfs/dbraw/zinc/05/59/06/416055906.db2.gz KNCVSWHAHYWTCT-LBPRGKRZSA-N 0 0 307.398 0.959 10 0 DCAERN COCc1cc(N2CCC[C@@H]2C(=O)NC2CC2)n2ncnc2n1 ZINC000301240667 416079959 /nfs/dbraw/zinc/07/99/59/416079959.db2.gz FXXDLIYDFYYGTL-GFCCVEGCSA-N 0 0 316.365 0.518 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000173524641 416059502 /nfs/dbraw/zinc/05/95/02/416059502.db2.gz KMFGOXMGZDOYPT-ZDUSSCGKSA-N 0 0 321.402 0.420 10 0 DCAERN NC(=O)C[C@H](NC(=O)Cc1cccc(O)c1)C1CCOCC1 ZINC000357304882 416059813 /nfs/dbraw/zinc/05/98/13/416059813.db2.gz MTFUWTSDCYLNIL-AWEZNQCLSA-N 0 0 306.362 0.722 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173552576 416060146 /nfs/dbraw/zinc/06/01/46/416060146.db2.gz HGCBEDFVZUQXKX-NSHDSACASA-N 0 0 304.354 0.677 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000173510945 416060888 /nfs/dbraw/zinc/06/08/88/416060888.db2.gz IQQFDGIQPSDVMW-SNVBAGLBSA-N 0 0 301.416 0.502 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173601719 416061564 /nfs/dbraw/zinc/06/15/64/416061564.db2.gz FOWPFEOHOKEXBH-LBPRGKRZSA-N 0 0 323.397 0.710 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000173643221 416062044 /nfs/dbraw/zinc/06/20/44/416062044.db2.gz JWSGQVQBMGJKRM-GFCCVEGCSA-N 0 0 315.377 0.775 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173736951 416064546 /nfs/dbraw/zinc/06/45/46/416064546.db2.gz WOKPGGZKXMDHSC-NSHDSACASA-N 0 0 317.415 0.463 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)[C@H]2CCO[C@@H]21 ZINC000173894135 416066859 /nfs/dbraw/zinc/06/68/59/416066859.db2.gz KJEJNEJXLPHRSI-YJNKXOJESA-N 0 0 323.437 0.916 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)[C@@H]2CCO[C@@H]21 ZINC000173894162 416068199 /nfs/dbraw/zinc/06/81/99/416068199.db2.gz KJEJNEJXLPHRSI-XQLPTFJDSA-N 0 0 323.437 0.916 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000299907798 416070734 /nfs/dbraw/zinc/07/07/34/416070734.db2.gz SSMKORYDAOXUJC-DTWKUNHWSA-N 0 0 319.404 0.926 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174192233 416073379 /nfs/dbraw/zinc/07/33/79/416073379.db2.gz AIBBFRIHOJWPRY-LLVKDONJSA-N 0 0 304.358 0.252 10 0 DCAERN CN(C)C(=O)CC(=O)NCC(=O)N1CCCc2ccccc21 ZINC000174262071 416075692 /nfs/dbraw/zinc/07/56/92/416075692.db2.gz FENGGEJCWODTBK-UHFFFAOYSA-N 0 0 303.362 0.560 10 0 DCAERN C[C@H](Nc1ccc2nnnn2n1)C(=O)N1CCc2ccccc21 ZINC000301195749 416078607 /nfs/dbraw/zinc/07/86/07/416078607.db2.gz UEUIVZAFQIHKIV-JTQLQIEISA-N 0 0 309.333 0.909 10 0 DCAERN CC[C@](C)(O)CN1CCN(S(=O)(=O)CCCOC)CC1 ZINC000161659606 416012706 /nfs/dbraw/zinc/01/27/06/416012706.db2.gz OJBFBWOEKUIKBF-ZDUSSCGKSA-N 0 0 308.444 0.131 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1CO)CC2 ZINC000161531689 416013905 /nfs/dbraw/zinc/01/39/05/416013905.db2.gz CYSLQAZDUQQICO-NEPJUHHUSA-N 0 0 307.398 0.883 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000163570123 416015463 /nfs/dbraw/zinc/01/54/63/416015463.db2.gz PPJCADGIGPWGSK-MNOVXSKESA-N 0 0 304.412 0.342 10 0 DCAERN CC1(C)CCCN1C(=O)CSCC(=O)N1CCOCC1 ZINC000170868759 416036417 /nfs/dbraw/zinc/03/64/17/416036417.db2.gz MALSWCOGEMVLCD-UHFFFAOYSA-N 0 0 300.424 0.979 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)CN1CCN(c2cccnn2)CC1 ZINC000171126809 416036443 /nfs/dbraw/zinc/03/64/43/416036443.db2.gz IVICDDMNTHHHRI-LSDHHAIUSA-N 0 0 322.409 0.155 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000174726997 416085134 /nfs/dbraw/zinc/08/51/34/416085134.db2.gz WDJKFXZQBMFZMA-LBPRGKRZSA-N 0 0 307.350 0.365 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCC1(O)CCOCC1)C(C)C ZINC000174811302 416088247 /nfs/dbraw/zinc/08/82/47/416088247.db2.gz ZIOSUMXASXWLBT-CQSZACIVSA-N 0 0 314.426 0.831 10 0 DCAERN COC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)OC)[C@@H](C)C1 ZINC000174968563 416091752 /nfs/dbraw/zinc/09/17/52/416091752.db2.gz KOUUUGSYUWNMCL-NSHDSACASA-N 0 0 300.399 0.896 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000174998274 416093341 /nfs/dbraw/zinc/09/33/41/416093341.db2.gz CQLSXBAZDRYCKA-VXGBXAGGSA-N 0 0 306.366 0.377 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000175041988 416094046 /nfs/dbraw/zinc/09/40/46/416094046.db2.gz NKSBSVQKIJGYGX-ZDUSSCGKSA-N 0 0 303.370 0.830 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)CCOC(C)C ZINC000175075362 416095583 /nfs/dbraw/zinc/09/55/83/416095583.db2.gz GMPFLSOAIRXPIQ-UHFFFAOYSA-N 0 0 303.428 0.924 10 0 DCAERN CN(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000175103979 416095696 /nfs/dbraw/zinc/09/56/96/416095696.db2.gz KGVMXTJEORRVNN-SNVBAGLBSA-N 0 0 304.350 0.261 10 0 DCAERN Cc1cc(C(=O)NCC(=O)NC(C)(C)C)c2cnn(C)c2n1 ZINC000175130893 416096636 /nfs/dbraw/zinc/09/66/36/416096636.db2.gz WRGTZYDPECEOFV-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN CCOC(=O)[C@H](C)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000175156037 416097787 /nfs/dbraw/zinc/09/77/87/416097787.db2.gz MYSOPOARODSSEB-SNVBAGLBSA-N 0 0 305.334 0.645 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000175174466 416098437 /nfs/dbraw/zinc/09/84/37/416098437.db2.gz MPGORXMGBUJOBG-RYUDHWBXSA-N 0 0 307.398 0.880 10 0 DCAERN CC(=O)[C@H](C)SCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000175185420 416098971 /nfs/dbraw/zinc/09/89/71/416098971.db2.gz LMHMBCGWOFNIQT-JTQLQIEISA-N 0 0 324.406 0.535 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000345495775 416105607 /nfs/dbraw/zinc/10/56/07/416105607.db2.gz VWKFCYYMVYXIAK-ZIAGYGMSSA-N 0 0 305.378 1.125 10 0 DCAERN O=S(=O)(c1ccccc1Cl)N1CCC[C@](O)(CO)C1 ZINC000313652503 416109588 /nfs/dbraw/zinc/10/95/88/416109588.db2.gz TUQQGLOKKGCZHH-GFCCVEGCSA-N 0 0 305.783 0.848 10 0 DCAERN Cn1ccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000175825406 416115121 /nfs/dbraw/zinc/11/51/21/416115121.db2.gz RGCIRKXDUYBEDL-LLVKDONJSA-N 0 0 303.370 0.944 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)C)C1 ZINC000175891452 416116462 /nfs/dbraw/zinc/11/64/62/416116462.db2.gz DZOFTFZYDKQTPN-LBPRGKRZSA-N 0 0 321.381 0.530 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cn(C)nc1-c1ccccc1 ZINC000357686764 416116778 /nfs/dbraw/zinc/11/67/78/416116778.db2.gz SXUIDLWDHIEZPB-UHFFFAOYSA-N 0 0 311.349 0.883 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000175877004 416117014 /nfs/dbraw/zinc/11/70/14/416117014.db2.gz ZDSVBXGUGNOYHK-UHFFFAOYSA-N 0 0 323.397 0.776 10 0 DCAERN COC[C@H](CO)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000357695269 416117528 /nfs/dbraw/zinc/11/75/28/416117528.db2.gz YXJKAYWBWBGQBX-KBPBESRZSA-N 0 0 322.361 0.541 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CCCn3ncnc31)c2=O ZINC000176133758 416119653 /nfs/dbraw/zinc/11/96/53/416119653.db2.gz HCYLQCPJRVSRLE-LBPRGKRZSA-N 0 0 324.344 0.859 10 0 DCAERN Cc1cc(=O)c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c[nH]1 ZINC000176159218 416120377 /nfs/dbraw/zinc/12/03/77/416120377.db2.gz DBEZQYILRYEEDS-CQSZACIVSA-N 0 0 321.377 0.297 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)C(=O)NC2=O ZINC000176135058 416120774 /nfs/dbraw/zinc/12/07/74/416120774.db2.gz MLDPHWMQHLRVRS-NSHDSACASA-N 0 0 311.301 0.427 10 0 DCAERN O=S(=O)(CC1CCOCC1)NC[C@@H]1CCn2ccnc2C1 ZINC000328614586 416122771 /nfs/dbraw/zinc/12/27/71/416122771.db2.gz ALBVFQDPLJKOCK-CYBMUJFWSA-N 0 0 313.423 0.792 10 0 DCAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000328613939 416123677 /nfs/dbraw/zinc/12/36/77/416123677.db2.gz URJNGSQFOJHKNF-MNOVXSKESA-N 0 0 315.439 0.794 10 0 DCAERN Cc1nccn1CCCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000176431800 416125716 /nfs/dbraw/zinc/12/57/16/416125716.db2.gz BQUGOEPDLDODFI-AWEZNQCLSA-N 0 0 309.414 0.602 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000357941098 416156886 /nfs/dbraw/zinc/15/68/86/416156886.db2.gz SKLWKUFUCFTNQT-LLVKDONJSA-N 0 0 319.361 0.244 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)c1ncncc1Cl)CC2 ZINC000176819055 416135449 /nfs/dbraw/zinc/13/54/49/416135449.db2.gz BYFRUCRPSZTYDR-MRVPVSSYSA-N 0 0 322.756 0.613 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176990246 416138728 /nfs/dbraw/zinc/13/87/28/416138728.db2.gz ZIQAUERWJBOZTB-QWHCGFSZSA-N 0 0 306.428 0.005 10 0 DCAERN CC(C)OC(=O)[C@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177339522 416144572 /nfs/dbraw/zinc/14/45/72/416144572.db2.gz YRTAPOQDGYYPKH-MNOVXSKESA-N 0 0 309.370 1.000 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)n(C)n1 ZINC000177392827 416144663 /nfs/dbraw/zinc/14/46/63/416144663.db2.gz AEWYRLVNXKZLBI-GFCCVEGCSA-N 0 0 305.382 0.364 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCNS(=O)(=O)CC ZINC000177489467 416146709 /nfs/dbraw/zinc/14/67/09/416146709.db2.gz VZGVNSHKFFJCOX-LBPRGKRZSA-N 0 0 320.459 0.051 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 ZINC000177663103 416149487 /nfs/dbraw/zinc/14/94/87/416149487.db2.gz AXWQFHCHJGYRJF-WBMJQRKESA-N 0 0 308.378 0.799 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(OCCOC)c2)C1 ZINC000178136089 416157357 /nfs/dbraw/zinc/15/73/57/416157357.db2.gz KLYKHHYXIQTTIU-UHFFFAOYSA-N 0 0 306.362 0.920 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC(C)(O)CC2)[C@@H]1c1cccnc1 ZINC000177789578 416152439 /nfs/dbraw/zinc/15/24/39/416152439.db2.gz GKAHWTQLWNSHEJ-ZFWWWQNUSA-N 0 0 317.389 0.974 10 0 DCAERN COC[C@@H](CNC(=O)Cn1cc(-c2ccccc2)nn1)OC ZINC000357920838 416153142 /nfs/dbraw/zinc/15/31/42/416153142.db2.gz DQUDSLZWAAOSKJ-CYBMUJFWSA-N 0 0 304.350 0.723 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000177960274 416154000 /nfs/dbraw/zinc/15/40/00/416154000.db2.gz QGTODXFZPGJZKL-CHWSQXEVSA-N 0 0 304.350 0.475 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178616819 416166320 /nfs/dbraw/zinc/16/63/20/416166320.db2.gz LOUSCTJATXUTTA-HYVNUMGLSA-N 0 0 315.417 0.915 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178698096 416168948 /nfs/dbraw/zinc/16/89/48/416168948.db2.gz VTYKAHGIMSVYIH-HOCLYGCPSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000178680636 416169206 /nfs/dbraw/zinc/16/92/06/416169206.db2.gz JKBFEYDJKNMLBP-BXUZGUMPSA-N 0 0 321.377 0.515 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCC2=CCCOC2)cn1 ZINC000358005587 416169404 /nfs/dbraw/zinc/16/94/04/416169404.db2.gz OOXPSXCOXBXTFR-UHFFFAOYSA-N 0 0 304.350 0.549 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCCOC1CCCC1 ZINC000357997218 416169858 /nfs/dbraw/zinc/16/98/58/416169858.db2.gz VFBUDFKHYFTPKW-QWHCGFSZSA-N 0 0 312.410 0.681 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329466742 416172122 /nfs/dbraw/zinc/17/21/22/416172122.db2.gz VTTQFWNSIDXJHY-MGPQQGTHSA-N 0 0 318.439 0.290 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1cccc(COC)c1)C(C)C ZINC000178923440 416177233 /nfs/dbraw/zinc/17/72/33/416177233.db2.gz VWEKEWQDRWKAAG-ZDUSSCGKSA-N 0 0 314.407 0.882 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178960587 416179028 /nfs/dbraw/zinc/17/90/28/416179028.db2.gz NMFMIBUDHIRRRS-CQSZACIVSA-N 0 0 316.405 0.358 10 0 DCAERN O=C(CCC(=O)N1CCCC[C@H]1c1nc[nH]n1)N1CCOCC1 ZINC000179345891 416184717 /nfs/dbraw/zinc/18/47/17/416184717.db2.gz QISNDDLPGJDEDH-LBPRGKRZSA-N 0 0 321.381 0.497 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)NC[C@@]1(O)CCOC1 ZINC000179512785 416189782 /nfs/dbraw/zinc/18/97/82/416189782.db2.gz RGSOCQZMILUJOO-HNNXBMFYSA-N 0 0 317.349 0.218 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCc2ncccc2C)[nH]n1 ZINC000358097047 416191332 /nfs/dbraw/zinc/19/13/32/416191332.db2.gz MOCAUSZWJQGWFM-LLVKDONJSA-N 0 0 315.377 0.785 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000179857312 416192087 /nfs/dbraw/zinc/19/20/87/416192087.db2.gz FDNXNRNDLUUGFW-KGLIPLIRSA-N 0 0 312.329 0.960 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000180236331 416194139 /nfs/dbraw/zinc/19/41/39/416194139.db2.gz JYTPCKDWZWLVQL-OAHLLOKOSA-N 0 0 318.352 0.958 10 0 DCAERN CC[C@H](C)NC(=O)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180279383 416195670 /nfs/dbraw/zinc/19/56/70/416195670.db2.gz PWDKNDBDRHUPOQ-QMMMGPOBSA-N 0 0 320.440 0.434 10 0 DCAERN Cc1c(NC(=O)C(=O)NCc2cnnn2C)cccc1N(C)C ZINC000358122344 416196047 /nfs/dbraw/zinc/19/60/47/416196047.db2.gz MYZJCKAFLTWYAO-UHFFFAOYSA-N 0 0 316.365 0.444 10 0 DCAERN COc1cc(C)cc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)c1 ZINC000358162000 416204057 /nfs/dbraw/zinc/20/40/57/416204057.db2.gz RAFJNPQDDAEXTJ-OCCSQVGLSA-N 0 0 320.389 0.849 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181363107 416206068 /nfs/dbraw/zinc/20/60/68/416206068.db2.gz IYMPBFUJGUHDLZ-OLZOCXBDSA-N 0 0 322.413 0.120 10 0 DCAERN Cc1ocnc1CNC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358182947 416208114 /nfs/dbraw/zinc/20/81/14/416208114.db2.gz DJZPNELMAJZEDP-UHFFFAOYSA-N 0 0 317.349 0.729 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)Cc2cccc(O)c2)cn1 ZINC000181444543 416208686 /nfs/dbraw/zinc/20/86/86/416208686.db2.gz PWNUPPNMBZUZLB-OAHLLOKOSA-N 0 0 300.362 0.841 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182252855 416217172 /nfs/dbraw/zinc/21/71/72/416217172.db2.gz WDLSEVZTLIAQIY-SECBINFHSA-N 0 0 304.272 0.925 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182252875 416218274 /nfs/dbraw/zinc/21/82/74/416218274.db2.gz WDLSEVZTLIAQIY-VIFPVBQESA-N 0 0 304.272 0.925 10 0 DCAERN Cn1cnn(CC(=O)N2CCO[C@H](c3cccs3)C2)c1=O ZINC000182415152 416221537 /nfs/dbraw/zinc/22/15/37/416221537.db2.gz RRLBPQNBMORJRI-JTQLQIEISA-N 0 0 308.363 0.243 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@H](CO)C3CC3)no2)c1 ZINC000358294678 416222501 /nfs/dbraw/zinc/22/25/01/416222501.db2.gz BKQYUEHSUIYWPJ-GFCCVEGCSA-N 0 0 304.350 0.976 10 0 DCAERN COCc1nc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)no1 ZINC000182442999 416223092 /nfs/dbraw/zinc/22/30/92/416223092.db2.gz ZHSAJDDOHBURRS-JTQLQIEISA-N 0 0 322.369 0.786 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H](CO)C1CC1 ZINC000358327943 416223224 /nfs/dbraw/zinc/22/32/24/416223224.db2.gz XRVNWHICOVZTRQ-ZDUSSCGKSA-N 0 0 301.350 0.340 10 0 DCAERN O=C(CCn1cnc2sccc2c1=O)NC[C@H](CO)C1CC1 ZINC000358358031 416228540 /nfs/dbraw/zinc/22/85/40/416228540.db2.gz SMILAIZCUMELRB-LLVKDONJSA-N 0 0 321.402 0.983 10 0 DCAERN CC[C@@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)OC ZINC000358362711 416229342 /nfs/dbraw/zinc/22/93/42/416229342.db2.gz XDPIEGVNEYPWJX-STQMWFEESA-N 0 0 313.398 0.491 10 0 DCAERN CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000178164778 416158230 /nfs/dbraw/zinc/15/82/30/416158230.db2.gz SYVZGUYGTOTVLD-JTQLQIEISA-N 0 0 317.415 0.424 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C)c1ccccc1 ZINC000357961673 416159408 /nfs/dbraw/zinc/15/94/08/416159408.db2.gz WREXFOVFDFFUGD-YUELXQCFSA-N 0 0 320.389 0.720 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000182841751 416232876 /nfs/dbraw/zinc/23/28/76/416232876.db2.gz OGNRTHUDKXRINA-YGRLFVJLSA-N 0 0 314.407 0.770 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)NC[C@@H](CO)C1CC1 ZINC000358475280 416242686 /nfs/dbraw/zinc/24/26/86/416242686.db2.gz YURVNAQMSUSDGN-ZDUSSCGKSA-N 0 0 321.425 0.865 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCCOC)CC2 ZINC000184729991 416252036 /nfs/dbraw/zinc/25/20/36/416252036.db2.gz LKADAVBZMPVTNQ-NSHDSACASA-N 0 0 316.427 0.501 10 0 DCAERN CCO[C@H]1C[C@@H](NS(=O)(=O)N(C)CC)C12CCOCC2 ZINC000185145666 416254021 /nfs/dbraw/zinc/25/40/21/416254021.db2.gz PKBRKZYJQHGSRB-NEPJUHHUSA-N 0 0 306.428 0.747 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185224677 416254798 /nfs/dbraw/zinc/25/47/98/416254798.db2.gz CPZXLNVJUFYBRA-CYBMUJFWSA-N 0 0 301.350 0.565 10 0 DCAERN CO[C@H]1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358615000 416261450 /nfs/dbraw/zinc/26/14/50/416261450.db2.gz MWVKXRYPFGJMIB-GJZGRUSLSA-N 0 0 323.437 0.686 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000358694411 416269110 /nfs/dbraw/zinc/26/91/10/416269110.db2.gz RSPRVQUALIMHMN-OCCSQVGLSA-N 0 0 309.410 0.857 10 0 DCAERN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)NCC(=O)N(C)C)o1 ZINC000190208828 416275015 /nfs/dbraw/zinc/27/50/15/416275015.db2.gz AAMPSVNRXMETKI-GFCCVEGCSA-N 0 0 321.377 0.846 10 0 DCAERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000190240159 416275673 /nfs/dbraw/zinc/27/56/73/416275673.db2.gz BWMITJUWSNQABP-KDKPCJNHSA-N 0 0 315.439 0.596 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)ncn1 ZINC000190270265 416277219 /nfs/dbraw/zinc/27/72/19/416277219.db2.gz ZROMJPNZZPUOIP-OLZOCXBDSA-N 0 0 320.393 0.949 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1cccnc1N(C)C)[C@@H](C)CO ZINC000190278009 416278595 /nfs/dbraw/zinc/27/85/95/416278595.db2.gz JKUXDAFXJXYLSO-NWDGAFQWSA-N 0 0 310.398 0.421 10 0 DCAERN Cc1cnn(CCNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)c1 ZINC000192217940 416300902 /nfs/dbraw/zinc/30/09/02/416300902.db2.gz FYOMSQBLQPDIGB-LBPRGKRZSA-N 0 0 315.381 0.884 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192205840 416301133 /nfs/dbraw/zinc/30/11/33/416301133.db2.gz AWWCCXNDTJOGKJ-AWEZNQCLSA-N 0 0 321.352 0.521 10 0 DCAERN CC1=C(C(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197349 416302352 /nfs/dbraw/zinc/30/23/52/416302352.db2.gz ORAJMJILDQXNBG-NWDGAFQWSA-N 0 0 320.397 0.010 10 0 DCAERN COc1cccc(CCNC(=O)N2CCN(C(C)=O)C[C@@H]2C)n1 ZINC000359080804 416305838 /nfs/dbraw/zinc/30/58/38/416305838.db2.gz KAFIHJFLXWCLOP-LBPRGKRZSA-N 0 0 320.393 0.895 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000193599342 416318877 /nfs/dbraw/zinc/31/88/77/416318877.db2.gz GUCHUKAIZXESBT-GFCCVEGCSA-N 0 0 306.366 0.524 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000190532517 416279962 /nfs/dbraw/zinc/27/99/62/416279962.db2.gz VSOYKEONCRJVNW-DTWKUNHWSA-N 0 0 324.406 0.804 10 0 DCAERN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000191972264 416292962 /nfs/dbraw/zinc/29/29/62/416292962.db2.gz CCQPEVYRGPLYJJ-JTQLQIEISA-N 0 0 321.381 0.433 10 0 DCAERN Cn1nc(Br)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000191999053 416294856 /nfs/dbraw/zinc/29/48/56/416294856.db2.gz FXUBZYRBDUDXGN-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000192084682 416297764 /nfs/dbraw/zinc/29/77/64/416297764.db2.gz LOCJKLQGCDXQAO-JQWIXIFHSA-N 0 0 306.366 0.776 10 0 DCAERN COc1ccc(F)cc1CNC(=O)C(=O)Nc1cnns1 ZINC000192076136 416298899 /nfs/dbraw/zinc/29/88/99/416298899.db2.gz IKKASOBZTGDWKN-UHFFFAOYSA-N 0 0 310.310 0.941 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246989298 416332460 /nfs/dbraw/zinc/33/24/60/416332460.db2.gz HSCZAYPZRHDEDB-MCIONIFRSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@H](CN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000248478972 416333696 /nfs/dbraw/zinc/33/36/96/416333696.db2.gz ZPNIYJBTACWUTQ-VXGBXAGGSA-N 0 0 324.450 0.902 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248992457 416334082 /nfs/dbraw/zinc/33/40/82/416334082.db2.gz NVKYNMKAFAMHDF-MBNYWOFBSA-N 0 0 318.439 0.420 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2cccc(F)c2F)CC1 ZINC000265161997 416340297 /nfs/dbraw/zinc/34/02/97/416340297.db2.gz GHXYUVFBHRQBDK-JTQLQIEISA-N 0 0 309.316 0.750 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCNC[C@](C)(F)C2)c1 ZINC000415792454 416354281 /nfs/dbraw/zinc/35/42/81/416354281.db2.gz VPOOINBWVJZXDM-INIZCTEOSA-N 0 0 321.352 0.988 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@H](CO)C1CC1 ZINC000359777186 416357774 /nfs/dbraw/zinc/35/77/74/416357774.db2.gz FVTOFLPRCNCBAT-LLVKDONJSA-N 0 0 312.316 0.829 10 0 DCAERN CCCCOCCNC(=O)Cn1ncc2c1ncnc2NC ZINC000194432558 416323621 /nfs/dbraw/zinc/32/36/21/416323621.db2.gz UZRZMJVGKANPFY-UHFFFAOYSA-N 0 0 306.370 0.801 10 0 DCAERN COCCN(CCO)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246355218 416331968 /nfs/dbraw/zinc/33/19/68/416331968.db2.gz DORFUWAHHKGUCQ-KGLIPLIRSA-N 0 0 300.399 0.097 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H](C)COC ZINC000360467787 416391637 /nfs/dbraw/zinc/39/16/37/416391637.db2.gz KTFMTRBTNRERML-USZNOCQGSA-N 0 0 316.398 0.478 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)cn1 ZINC000360469364 416392134 /nfs/dbraw/zinc/39/21/34/416392134.db2.gz OVDPOMPHDMTOOQ-NXEZZACHSA-N 0 0 323.349 0.276 10 0 DCAERN CC[C@@H](CSC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000360766644 416409171 /nfs/dbraw/zinc/40/91/71/416409171.db2.gz RVGTYIQHVZUDCT-JQWIXIFHSA-N 0 0 315.439 0.323 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)c1cccc2nccnc21 ZINC000361632671 416466783 /nfs/dbraw/zinc/46/67/83/416466783.db2.gz UFABZOOJOTUREE-GFCCVEGCSA-N 0 0 319.361 0.774 10 0 DCAERN Cc1ccc(C[C@@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000458436537 416467848 /nfs/dbraw/zinc/46/78/48/416467848.db2.gz PKZHERAWPZAFOH-ZYHUDNBSSA-N 0 0 323.422 0.939 10 0 DCAERN O=C(CN1CCSC[C@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019936 416471305 /nfs/dbraw/zinc/47/13/05/416471305.db2.gz LEKDBPYLLHTFJU-GFCCVEGCSA-N 0 0 315.439 0.555 10 0 DCAERN O=C(NC[C@H](O)C(F)(F)F)Nc1ccn(CC(F)F)n1 ZINC000361689156 416477707 /nfs/dbraw/zinc/47/77/07/416477707.db2.gz HEOKYUQKTLAJSH-YFKPBYRVSA-N 0 0 302.203 1.193 10 0 DCAERN COC(=O)c1cn([C@@H]2CCCN(Cc3ncccn3)C2)nn1 ZINC000361755473 416491227 /nfs/dbraw/zinc/49/12/27/416491227.db2.gz QYJFBHQZBISCIW-LLVKDONJSA-N 0 0 302.338 0.692 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCO[C@H](C)C2)C1 ZINC000361095438 416421169 /nfs/dbraw/zinc/42/11/69/416421169.db2.gz AAXPNJIDEWSUBW-ZOBORPQBSA-N 0 0 312.410 0.992 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC1=O ZINC000361194830 416424638 /nfs/dbraw/zinc/42/46/38/416424638.db2.gz DNLARWMDZLNSLU-CABZTGNLSA-N 0 0 323.315 0.706 10 0 DCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[C@H](OC)C1 ZINC000458682568 416489906 /nfs/dbraw/zinc/48/99/06/416489906.db2.gz CSFKDSALXSCXOE-VWYCJHECSA-N 0 0 307.416 0.181 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC[C@H](C)[S@@](C)=O)[C@@H](C)C1 ZINC000361371720 416432403 /nfs/dbraw/zinc/43/24/03/416432403.db2.gz IRGKVJVRQHETBS-SULUTDIPSA-N 0 0 303.428 0.406 10 0 DCAERN COc1nc(C)cc(N[C@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000582640626 416455537 /nfs/dbraw/zinc/45/55/37/416455537.db2.gz HTVOTHQCQSHIIV-NSHDSACASA-N 0 0 316.365 1.135 10 0 DCAERN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)C(C)(C)O ZINC000361943987 416529162 /nfs/dbraw/zinc/52/91/62/416529162.db2.gz FMBSBNJJBDECRY-CYBMUJFWSA-N 0 0 322.409 0.998 10 0 DCAERN CCN1C(=O)[C@H]2CN(Cc3cnn4ccccc34)CCN2C1=O ZINC000362012345 416545672 /nfs/dbraw/zinc/54/56/72/416545672.db2.gz NTVSHZRGVURJKA-CQSZACIVSA-N 0 0 313.361 0.803 10 0 DCAERN C[S@@](=O)C1(CNC(=O)Nc2ncn(C(C)(C)C)n2)CCC1 ZINC000436359173 416555679 /nfs/dbraw/zinc/55/56/79/416555679.db2.gz CMUCOLCGUNCLCV-NRFANRHFSA-N 0 0 313.427 1.456 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCCNc2cnccn2)[nH]n1 ZINC000487530537 416555882 /nfs/dbraw/zinc/55/58/82/416555882.db2.gz YZEBYHHZLKZPRR-JTQLQIEISA-N 0 0 303.370 0.850 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000458722425 416493571 /nfs/dbraw/zinc/49/35/71/416493571.db2.gz KEZZPSGBAFMQIA-HZSPNIEDSA-N 0 0 319.340 0.633 10 0 DCAERN COc1ccc(NC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1CO ZINC000534259028 416494743 /nfs/dbraw/zinc/49/47/43/416494743.db2.gz GDDDREPDWJDGLF-SECBINFHSA-N 0 0 306.318 0.664 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000534260525 416495888 /nfs/dbraw/zinc/49/58/88/416495888.db2.gz HBWFSKPLKDFMNJ-NSHDSACASA-N 0 0 300.322 0.150 10 0 DCAERN Cn1ccc(CNS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000534288088 416497209 /nfs/dbraw/zinc/49/72/09/416497209.db2.gz GDLMYJTTWQSUMS-LLVKDONJSA-N 0 0 311.367 0.057 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000535162958 416516939 /nfs/dbraw/zinc/51/69/39/416516939.db2.gz QPJBZORVUIVYBM-MRXNPFEDSA-N 0 0 315.329 0.730 10 0 DCAERN COc1cc(NC(=O)c2ccnc(S(N)(=O)=O)c2)ccc1O ZINC000438113913 416592496 /nfs/dbraw/zinc/59/24/96/416592496.db2.gz MLMMPGUQVKKWHH-UHFFFAOYSA-N 0 0 323.330 0.696 10 0 DCAERN NC(=O)c1ccc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)o1 ZINC000438189501 416596299 /nfs/dbraw/zinc/59/62/99/416596299.db2.gz TWFLAPUKESARHF-UHFFFAOYSA-N 0 0 312.289 0.735 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C1=O ZINC000541507254 416607616 /nfs/dbraw/zinc/60/76/16/416607616.db2.gz UCAULPJAGSTRFS-VIFPVBQESA-N 0 0 322.369 0.691 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC=C(C)C1 ZINC000437861006 416590102 /nfs/dbraw/zinc/59/01/02/416590102.db2.gz IIAHRHVZTICFKS-NEPJUHHUSA-N 0 0 311.382 0.804 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)n1 ZINC000439473122 416614670 /nfs/dbraw/zinc/61/46/70/416614670.db2.gz VHPMCYFQRRUKFS-OLZOCXBDSA-N 0 0 308.382 0.573 10 0 DCAERN c1ccc(Cn2nnnc2CN2CCN3CCOC[C@H]3C2)cc1 ZINC000543554501 416641223 /nfs/dbraw/zinc/64/12/23/416641223.db2.gz ALFXLFZHWBEFET-OAHLLOKOSA-N 0 0 314.393 0.238 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000605429710 416642809 /nfs/dbraw/zinc/64/28/09/416642809.db2.gz NGQCMUFAWBUEFJ-UHFFFAOYSA-N 0 0 305.342 0.753 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000440942657 416653446 /nfs/dbraw/zinc/65/34/46/416653446.db2.gz GFXCRIONQVFMEZ-WDEREUQCSA-N 0 0 321.381 0.136 10 0 DCAERN CCCN(C(=O)[C@@H](C)N(C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946983 416653530 /nfs/dbraw/zinc/65/35/30/416653530.db2.gz WWLGJWYMZRKGRX-OLZOCXBDSA-N 0 0 320.455 0.115 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)c1cnc2n[nH]nc2c1 ZINC000544558052 416657852 /nfs/dbraw/zinc/65/78/52/416657852.db2.gz LVGJVAMZJFXADG-UHFFFAOYSA-N 0 0 321.304 0.709 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[S@](=O)C2)c1 ZINC000441196507 416664336 /nfs/dbraw/zinc/66/43/36/416664336.db2.gz JSVINGPWUGCXII-PPRQPISWSA-N 0 0 314.338 0.410 10 0 DCAERN CN1CCN(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)CC1=O ZINC000545175404 416665260 /nfs/dbraw/zinc/66/52/60/416665260.db2.gz FNZJHWWFPDKONL-UHFFFAOYSA-N 0 0 314.349 0.184 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@]2(O)CCSC2)n1 ZINC000441439490 416671741 /nfs/dbraw/zinc/67/17/41/416671741.db2.gz LYAGUYYEVDREAL-CQSZACIVSA-N 0 0 311.407 0.800 10 0 DCAERN CC(C)OC[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000545324091 416671968 /nfs/dbraw/zinc/67/19/68/416671968.db2.gz FZOCJQZVPQPYHM-JYJNAYRXSA-N 0 0 317.426 0.669 10 0 DCAERN C[C@H]1Oc2ccc(NC(=O)C(=O)N(C)CCCO)cc2NC1=O ZINC000443331086 416749775 /nfs/dbraw/zinc/74/97/75/416749775.db2.gz LCKHGPGCBPWAPH-SECBINFHSA-N 0 0 321.333 0.185 10 0 DCAERN Cc1nc(NCC[C@H](O)C(F)(F)F)sc1S(N)(=O)=O ZINC000548987618 416692713 /nfs/dbraw/zinc/69/27/13/416692713.db2.gz PVRYTHZFQBCJOL-YFKPBYRVSA-N 0 0 319.330 0.824 10 0 DCAERN CN(CCCO)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000442360940 416693362 /nfs/dbraw/zinc/69/33/62/416693362.db2.gz GOZNCFHXELKIER-UHFFFAOYSA-N 0 0 315.395 0.582 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cc(C)n[nH]2)CC1 ZINC000614713428 416695652 /nfs/dbraw/zinc/69/56/52/416695652.db2.gz NTWFRDPWTRAQCO-UHFFFAOYSA-N 0 0 323.397 0.497 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H](C)C[S@@](C)=O)no1 ZINC000442651282 416702008 /nfs/dbraw/zinc/70/20/08/416702008.db2.gz QCBHAQCOMUBIGO-ZPWHCFADSA-N 0 0 302.400 0.933 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@@H]2C1 ZINC000516600813 416730380 /nfs/dbraw/zinc/73/03/80/416730380.db2.gz GYJXOIXGLFZBRE-LOUJCGABSA-N 0 0 321.421 0.666 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2nccn2c1)[C@@H]1CCOC1 ZINC000557379268 416733325 /nfs/dbraw/zinc/73/33/25/416733325.db2.gz ZVBOWTRYRJOXTO-GHMZBOCLSA-N 0 0 302.334 0.814 10 0 DCAERN COc1cccc(CCNC(=O)N(C[C@H](C)O)[C@H](C)CO)n1 ZINC000443619394 416770687 /nfs/dbraw/zinc/77/06/87/416770687.db2.gz HBTVPUVOLPZCGU-NEPJUHHUSA-N 0 0 311.382 0.406 10 0 DCAERN Cc1cccnc1-c1nnc(N2CCN3CCOC[C@H]3C2)n1C ZINC000558679819 416785468 /nfs/dbraw/zinc/78/54/68/416785468.db2.gz LRQXMHZMBAMXOV-CYBMUJFWSA-N 0 0 314.393 0.706 10 0 DCAERN CN1CCN(C(=O)CN2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793118 /nfs/dbraw/zinc/79/31/18/416793118.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 0 0 311.426 0.030 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000369558932 416797259 /nfs/dbraw/zinc/79/72/59/416797259.db2.gz FACAVISSXWMKGE-WCQYABFASA-N 0 0 312.414 0.003 10 0 DCAERN COC[C@@H](NC(=O)CN1CCN(C)C(=O)C1)c1ccc(F)cc1 ZINC000444118181 416802572 /nfs/dbraw/zinc/80/25/72/416802572.db2.gz MTSRNOMYOJYACA-CQSZACIVSA-N 0 0 323.368 0.403 10 0 DCAERN CNc1ncc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)s1 ZINC000369680994 416816586 /nfs/dbraw/zinc/81/65/86/416816586.db2.gz GTCSNUBKGSRUGN-NSHDSACASA-N 0 0 324.450 1.510 10 0 DCAERN Cc1nc(C)c(CNC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)s1 ZINC000623667120 416862793 /nfs/dbraw/zinc/86/27/93/416862793.db2.gz VWOHQXUQXFGSNG-OIBJUYFYSA-N 0 0 312.395 0.544 10 0 DCAERN COc1cc(NC(=O)C(=O)NCc2ccn(C)n2)ccc1F ZINC000445113032 416885311 /nfs/dbraw/zinc/88/53/11/416885311.db2.gz NEXZIRNIUVQLAB-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN COc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C1CC1 ZINC000370130607 416886825 /nfs/dbraw/zinc/88/68/25/416886825.db2.gz HTVRKBJJCGZHIB-ZDUSSCGKSA-N 0 0 304.346 0.899 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280438 416825756 /nfs/dbraw/zinc/82/57/56/416825756.db2.gz HUWRCHJTJJUZSE-MFKMUULPSA-N 0 0 322.427 0.566 10 0 DCAERN C[C@@H](C(=O)N1CC(O)(CO)C1)n1ccc2ccccc2c1=O ZINC000615432808 416832424 /nfs/dbraw/zinc/83/24/24/416832424.db2.gz ABVVJVSOCZPALG-NSHDSACASA-N 0 0 302.330 0.128 10 0 DCAERN Brc1cncnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560227919 416833910 /nfs/dbraw/zinc/83/39/10/416833910.db2.gz OZWDQQNSZPUIGO-AOOOYVTPSA-N 0 0 313.199 1.514 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2ccncc21 ZINC000447127545 416965813 /nfs/dbraw/zinc/96/58/13/416965813.db2.gz IJQOCTDLCPHYGX-ZJUUUORDSA-N 0 0 317.349 0.893 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CCOC(C)(C)C)[C@H](C)C1 ZINC000632106944 416909026 /nfs/dbraw/zinc/90/90/26/416909026.db2.gz OJGYOMFIVPGZLG-LLVKDONJSA-N 0 0 306.428 0.684 10 0 DCAERN C[C@@H]1C[C@H](CCNC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000623879904 416913420 /nfs/dbraw/zinc/91/34/20/416913420.db2.gz RXPISWRDGQEMHW-XQHKEYJVSA-N 0 0 313.398 0.476 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)NC[C@H](O)C(F)(F)F ZINC000446475941 416929909 /nfs/dbraw/zinc/92/99/09/416929909.db2.gz GDJXUDMXECEQAD-VIFPVBQESA-N 0 0 320.267 0.982 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]1CCO)C(=O)N1CCOCC2(CC2)C1 ZINC000519728840 416933283 /nfs/dbraw/zinc/93/32/83/416933283.db2.gz XHFGSUACCPKTOU-QWHCGFSZSA-N 0 0 310.394 0.293 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)cn2)[nH]n1 ZINC000446591629 416936853 /nfs/dbraw/zinc/93/68/53/416936853.db2.gz HYUUTWBZBOLERH-QMMMGPOBSA-N 0 0 305.313 0.938 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 ZINC000520246709 416948084 /nfs/dbraw/zinc/94/80/84/416948084.db2.gz JUQGSSTWBWLJEK-LLVKDONJSA-N 0 0 320.370 0.912 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000632189683 416949177 /nfs/dbraw/zinc/94/91/77/416949177.db2.gz CQYWEVVIYZFMRE-CQSZACIVSA-N 0 0 319.361 0.358 10 0 DCAERN CC(=O)CN(CC(C)C)C(=O)CC1(n2cnnn2)CCOCC1 ZINC000616355132 417025045 /nfs/dbraw/zinc/02/50/45/417025045.db2.gz SGFLAEHGARNNQQ-UHFFFAOYSA-N 0 0 323.397 0.643 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000624401722 417029807 /nfs/dbraw/zinc/02/98/07/417029807.db2.gz MXMUYVLLYUCVPP-YPMHNXCESA-N 0 0 308.382 0.060 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@H](CO)c2ccnn2C)cc1O ZINC000616229068 416992935 /nfs/dbraw/zinc/99/29/35/416992935.db2.gz DKFNRSFFKDWGOJ-GFCCVEGCSA-N 0 0 303.318 0.792 10 0 DCAERN Cc1cc(C2(C(=O)N3CCCNC(=O)[C@@H]3C)CCOCC2)on1 ZINC000637155108 417012441 /nfs/dbraw/zinc/01/24/41/417012441.db2.gz WGYDVKJVOJCGLS-LBPRGKRZSA-N 0 0 321.377 0.768 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000521968319 417037492 /nfs/dbraw/zinc/03/74/92/417037492.db2.gz LBRBVOOYUSXHAV-NSHDSACASA-N 0 0 319.365 0.249 10 0 DCAERN CNc1ncc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1 ZINC000377599323 417056807 /nfs/dbraw/zinc/05/68/07/417056807.db2.gz GTCSNUBKGSRUGN-LLVKDONJSA-N 0 0 324.450 1.510 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000522224173 417058190 /nfs/dbraw/zinc/05/81/90/417058190.db2.gz WNFYSOFIMFPLIC-MJBXVCDLSA-N 0 0 323.455 0.298 10 0 DCAERN CN1C[C@H](NC(=O)Nc2cccc(N3CCOCC3)c2)CC1=O ZINC000523420066 417081291 /nfs/dbraw/zinc/08/12/91/417081291.db2.gz BRBQHDJFYISQAV-CYBMUJFWSA-N 0 0 318.377 0.875 10 0 DCAERN Cn1ncc(N[C@@H]2CCOC[C@@H]2O)c(Br)c1=O ZINC000624688530 417082594 /nfs/dbraw/zinc/08/25/94/417082594.db2.gz UNZZETLWQLYRFH-SVRRBLITSA-N 0 0 304.144 0.105 10 0 DCAERN Nc1n[nH]cc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616604264 417082744 /nfs/dbraw/zinc/08/27/44/417082744.db2.gz SPPXTJPVCNEPER-GFCCVEGCSA-N 0 0 308.363 0.754 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000616600114 417083520 /nfs/dbraw/zinc/08/35/20/417083520.db2.gz BVFSZMGNAZOYID-NSHDSACASA-N 0 0 318.420 0.518 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2nccc3ccccc32)C1 ZINC000616593108 417084396 /nfs/dbraw/zinc/08/43/96/417084396.db2.gz HSFHOAKHGWDZLK-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1S(C)(=O)=O ZINC000616602710 417085172 /nfs/dbraw/zinc/08/51/72/417085172.db2.gz UNAXOYOVUAXACS-JTQLQIEISA-N 0 0 308.400 0.214 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCO[C@H](c2cn[nH]n2)C1 ZINC000616650601 417086917 /nfs/dbraw/zinc/08/69/17/417086917.db2.gz HTIJVHJXUOHXLL-ZDUSSCGKSA-N 0 0 308.363 0.957 10 0 DCAERN Nc1n[nH]cc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616638085 417087380 /nfs/dbraw/zinc/08/73/80/417087380.db2.gz GGHRYYIFVVEIBI-GFCCVEGCSA-N 0 0 307.379 0.327 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616664414 417090425 /nfs/dbraw/zinc/09/04/25/417090425.db2.gz RSZLXYTXEATSCK-NSHDSACASA-N 0 0 311.386 0.745 10 0 DCAERN CC(=O)Nc1cccc([C@H]2CCN(S(N)(=O)=O)CCO2)c1 ZINC000616665092 417091345 /nfs/dbraw/zinc/09/13/45/417091345.db2.gz LFZHISLEIMJOFO-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3cccnc32)C1 ZINC000616664709 417091700 /nfs/dbraw/zinc/09/17/00/417091700.db2.gz ZWTAXUOZCJVHRT-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN Nc1cccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)n1 ZINC000616682146 417093191 /nfs/dbraw/zinc/09/31/91/417093191.db2.gz CJWTZEGLWHGRQM-LBPRGKRZSA-N 0 0 305.363 0.841 10 0 DCAERN O=S(=O)(Cc1ccccc1F)NCC[C@@]1(O)CCOC1 ZINC000404180138 417117570 /nfs/dbraw/zinc/11/75/70/417117570.db2.gz JPWIIIXWZMJRHN-CYBMUJFWSA-N 0 0 303.355 0.787 10 0 DCAERN CN1CCO[C@@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000524797144 417120340 /nfs/dbraw/zinc/12/03/40/417120340.db2.gz ULZSYIPMAVGLIS-OAHLLOKOSA-N 0 0 305.378 0.792 10 0 DCAERN CN(CCOCCO)C(=O)c1nscc1Br ZINC000404747565 417120950 /nfs/dbraw/zinc/12/09/50/417120950.db2.gz UAMXYCJCXABCGS-UHFFFAOYSA-N 0 0 309.185 0.987 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992970 417132249 /nfs/dbraw/zinc/13/22/49/417132249.db2.gz KELQERNVUZDBMT-MGPQQGTHSA-N 0 0 320.455 0.536 10 0 DCAERN O=C(NCCCCn1ccnc1)N1CCN2CCOC[C@@H]2C1 ZINC000568449754 417137349 /nfs/dbraw/zinc/13/73/49/417137349.db2.gz RRWCZLBSDVSIQC-AWEZNQCLSA-N 0 0 307.398 0.389 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2ccnc(OC)n2)CC12COC2 ZINC000449356215 417144862 /nfs/dbraw/zinc/14/48/62/417144862.db2.gz BANOOWKMNXUOQM-LBPRGKRZSA-N 0 0 307.350 0.497 10 0 DCAERN Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)no1 ZINC000408174606 417145805 /nfs/dbraw/zinc/14/58/05/417145805.db2.gz SRLVNJSMQNGJLA-LLVKDONJSA-N 0 0 324.406 1.555 10 0 DCAERN c1coc(-c2nnc(CN3CCN(c4nccnn4)CC3)o2)c1 ZINC000625636009 417149116 /nfs/dbraw/zinc/14/91/16/417149116.db2.gz OPOABWMOFOHOFQ-UHFFFAOYSA-N 0 0 313.321 0.837 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)C[C@H](C)O1 ZINC000408303268 417154502 /nfs/dbraw/zinc/15/45/02/417154502.db2.gz NLVOJKCDZFHTQY-ZMLRMANQSA-N 0 0 302.396 0.170 10 0 DCAERN c1c(CN2CCC[C@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444824 417229776 /nfs/dbraw/zinc/22/97/76/417229776.db2.gz ZSDQAVWKQTZAIS-INIZCTEOSA-N 0 0 305.426 0.985 10 0 DCAERN COC(=O)CCN1CCN(C(=O)Cc2cn(C)nc2C)[C@H](C)C1 ZINC000450403999 417224287 /nfs/dbraw/zinc/22/42/87/417224287.db2.gz NJJSEFPNYCMPJS-GFCCVEGCSA-N 0 0 322.409 0.367 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000408466103 417164763 /nfs/dbraw/zinc/16/47/63/417164763.db2.gz IJIFLYUJPGHFFH-MCIONIFRSA-N 0 0 312.410 0.632 10 0 DCAERN COc1cc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)ccc1O ZINC000438084745 287366953 /nfs/dbraw/zinc/36/69/53/287366953.db2.gz JULDXBVBXZYPQH-INIZCTEOSA-N 0 0 318.329 0.952 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000632843882 417280248 /nfs/dbraw/zinc/28/02/48/417280248.db2.gz YUIDBXYFYXEGRQ-QWRGUYRKSA-N 0 0 308.338 0.492 10 0 DCAERN Cc1cc(C(=O)NC[C@H](C)N2CCCCC2=O)ncc1C(N)=O ZINC000451075401 417297006 /nfs/dbraw/zinc/29/70/06/417297006.db2.gz WGVGZMBSXJZZSZ-NSHDSACASA-N 0 0 318.377 0.620 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccnc(C(N)=O)c2)CC12COC2 ZINC000450572745 417239893 /nfs/dbraw/zinc/23/98/93/417239893.db2.gz VDDXFEUJYFXBHW-LLVKDONJSA-N 0 0 305.334 0.196 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC000450660404 417257007 /nfs/dbraw/zinc/25/70/07/417257007.db2.gz KQALFRJELANSFM-UHFFFAOYSA-N 0 0 321.425 0.875 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451213589 417313946 /nfs/dbraw/zinc/31/39/46/417313946.db2.gz ANWZCCOMFBRSOW-XJKSGUPXSA-N 0 0 309.410 0.953 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)C2CC2)CC1 ZINC000451250791 417324914 /nfs/dbraw/zinc/32/49/14/417324914.db2.gz XVYSZXYUWBECDN-VHSXEESVSA-N 0 0 324.377 0.318 10 0 DCAERN Cc1csc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000451394951 417342070 /nfs/dbraw/zinc/34/20/70/417342070.db2.gz MHYDQNRKNCCPAY-NSHDSACASA-N 0 0 302.421 0.762 10 0 DCAERN Cn1cc(OCC(=O)N2CC[C@H](Oc3ccccn3)C2)cn1 ZINC000570345221 417343320 /nfs/dbraw/zinc/34/33/20/417343320.db2.gz QEQJNILCXOJBLU-LBPRGKRZSA-N 0 0 302.334 0.874 10 0 DCAERN CC(=O)CCC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000633323343 417409841 /nfs/dbraw/zinc/40/98/41/417409841.db2.gz MJCFVYKNYOSXFF-ZDUSSCGKSA-N 0 0 306.366 0.510 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC(CO)(c2ccccc2)C1 ZINC000633430622 417427842 /nfs/dbraw/zinc/42/78/42/417427842.db2.gz RONPRVYDQGFHGZ-HNNXBMFYSA-N 0 0 302.374 0.770 10 0 DCAERN O=C(N[C@H]1C[C@@H](CO)C1)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000633833943 417492371 /nfs/dbraw/zinc/49/23/71/417492371.db2.gz SUQCXCGBDMLFCR-YTWAJWBKSA-N 0 0 311.300 0.858 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739545 417494064 /nfs/dbraw/zinc/49/40/64/417494064.db2.gz HLTHQBXYLHBYGY-UHFFFAOYSA-N 0 0 311.426 0.614 10 0 DCAERN Cn1cc(CCN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000571186261 417434025 /nfs/dbraw/zinc/43/40/25/417434025.db2.gz WXTADBJICKGNCT-KGLIPLIRSA-N 0 0 310.373 0.234 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc2ccccn2n1 ZINC000574263781 417480664 /nfs/dbraw/zinc/48/06/64/417480664.db2.gz GNWBVSFTXMILRP-MRXNPFEDSA-N 0 0 312.329 0.886 10 0 DCAERN COCC(COC)NC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000453923066 417538081 /nfs/dbraw/zinc/53/80/81/417538081.db2.gz AAOGKTPDDYRVNR-UHFFFAOYSA-N 0 0 314.313 0.550 10 0 DCAERN CC(C)OC(=O)[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000454001694 417544092 /nfs/dbraw/zinc/54/40/92/417544092.db2.gz DOVXFACETPYIFA-JTQLQIEISA-N 0 0 324.381 0.938 10 0 DCAERN CC[C@@H](NC(=O)C(=O)Nc1cc(C)cc(OC)c1C)C(=O)NC ZINC000454098334 417547062 /nfs/dbraw/zinc/54/70/62/417547062.db2.gz MXUKAMNUGBNOIY-LLVKDONJSA-N 0 0 321.377 0.891 10 0 DCAERN Cn1ncc(Br)c1CNc1ccn(CCO)n1 ZINC000575808384 417551541 /nfs/dbraw/zinc/55/15/41/417551541.db2.gz FVMVGIHIZWSULZ-UHFFFAOYSA-N 0 0 300.160 0.984 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000529836995 417513284 /nfs/dbraw/zinc/51/32/84/417513284.db2.gz UZFBIGKCCXGFNB-OBJOEFQTSA-N 0 0 301.346 0.344 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCCc2occc2C1 ZINC000644482546 417595104 /nfs/dbraw/zinc/59/51/04/417595104.db2.gz LSTYCERTVITUQM-ZDUSSCGKSA-N 0 0 306.362 0.928 10 0 DCAERN C[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@]2(CCOC2)O1 ZINC000530314211 417566568 /nfs/dbraw/zinc/56/65/68/417566568.db2.gz REXVCMVVOCUPIQ-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1n1cc(CO)nn1)c1ncccc1O ZINC000530359847 417572035 /nfs/dbraw/zinc/57/20/35/417572035.db2.gz WVSRGGHAULEVGS-NWDGAFQWSA-N 0 0 317.349 0.785 10 0 DCAERN Cn1ncc(Br)c1CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000638880127 417575758 /nfs/dbraw/zinc/57/57/58/417575758.db2.gz WGFYUWBGNYLMGG-ZETCQYMHSA-N 0 0 323.141 0.796 10 0 DCAERN CN1CCC[C@H](NC(=O)Cn2cc(-c3ccccc3)nn2)C1=O ZINC000531631938 417631997 /nfs/dbraw/zinc/63/19/97/417631997.db2.gz PJSGHAIRDIDJNM-ZDUSSCGKSA-N 0 0 313.361 0.682 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1CC=CC1 ZINC000628541673 417635861 /nfs/dbraw/zinc/63/58/61/417635861.db2.gz AHVVCJAHBSYINX-UHFFFAOYSA-N 0 0 309.410 0.878 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628799185 417697400 /nfs/dbraw/zinc/69/74/00/417697400.db2.gz MJNMBNAZHPUUSS-JTQLQIEISA-N 0 0 304.412 0.532 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)Nc1cccc2c1OCCC2 ZINC000531869305 417646463 /nfs/dbraw/zinc/64/64/63/417646463.db2.gz CAJXRSIGVTVYBF-UHFFFAOYSA-N 0 0 303.318 0.892 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)C2CCC2)c1 ZINC000456897887 417670153 /nfs/dbraw/zinc/67/01/53/417670153.db2.gz JASHAVUVMSTJNX-CYBMUJFWSA-N 0 0 312.391 0.486 10 0 DCAERN C[C@H](C(=O)N1CC(S(C)(=O)=O)C1)n1cnc2ccccc21 ZINC000456962215 417672467 /nfs/dbraw/zinc/67/24/67/417672467.db2.gz ZBLNRMDMWVRLCW-SNVBAGLBSA-N 0 0 307.375 0.853 10 0 DCAERN CC(C)n1cc([C@H](C)NC(=O)N(C)Cc2nnnn2C)cn1 ZINC000532314873 417672604 /nfs/dbraw/zinc/67/26/04/417672604.db2.gz OMEANYNZFXZSNN-JTQLQIEISA-N 0 0 306.374 0.890 10 0 DCAERN CN(C(=O)c1c(Br)cnn1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629205558 417757365 /nfs/dbraw/zinc/75/73/65/417757365.db2.gz MPADJPTZILGKLJ-KNVOCYPGSA-N 0 0 315.171 0.519 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000457400144 417707212 /nfs/dbraw/zinc/70/72/12/417707212.db2.gz ZCOOBRVMWIVQQS-GFCCVEGCSA-N 0 0 311.359 0.699 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)COCCOC)(C(=O)OC)C1(C)C ZINC000440868468 287410642 /nfs/dbraw/zinc/41/06/42/287410642.db2.gz UOJWKFBHLRJSGH-NHYWBVRUSA-N 0 0 317.382 0.512 10 0 DCAERN CC(=O)c1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)on1 ZINC000580583401 417715267 /nfs/dbraw/zinc/71/52/67/417715267.db2.gz XQTWYADFFQOETN-ZDUSSCGKSA-N 0 0 321.377 0.948 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nncn1C1CC1 ZINC000580590502 417717797 /nfs/dbraw/zinc/71/77/97/417717797.db2.gz DWKDTRPSNFSJNL-CQSZACIVSA-N 0 0 303.322 0.164 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458138095 417725619 /nfs/dbraw/zinc/72/56/19/417725619.db2.gz MCMYKFYPHHVSKH-ZYHUDNBSSA-N 0 0 324.768 0.876 10 0 DCAERN CC[N@H+](C)[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458151207 417726062 /nfs/dbraw/zinc/72/60/62/417726062.db2.gz WDFCJKMHNHUCCK-LSDHHAIUSA-N 0 0 317.393 0.448 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)C1 ZINC000581760614 417730933 /nfs/dbraw/zinc/73/09/33/417730933.db2.gz RIVRNLVBYRGSHZ-AAEUAGOBSA-N 0 0 306.366 1.458 10 0 DCAERN CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)NC ZINC000452087886 287474685 /nfs/dbraw/zinc/47/46/85/287474685.db2.gz PPTWVIRUWKTKHY-NSHDSACASA-N 0 0 314.363 0.276 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](O)CCSC)CC12COC2 ZINC000452617646 287482670 /nfs/dbraw/zinc/48/26/70/287482670.db2.gz UWBFHPOGJFRGFT-GHMZBOCLSA-N 0 0 317.407 0.139 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)nc1 ZINC000487090757 287531581 /nfs/dbraw/zinc/53/15/81/287531581.db2.gz DOOKDKLYQBDXCV-VHSXEESVSA-N 0 0 323.349 0.276 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)=O)o1 ZINC000488148493 287546381 /nfs/dbraw/zinc/54/63/81/287546381.db2.gz KDAGNBSRYFANLN-RKDXNWHRSA-N 0 0 324.333 0.668 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)CCS(C)(=O)=O)cc21 ZINC000488413857 287552557 /nfs/dbraw/zinc/55/25/57/287552557.db2.gz PZOVDMBMGTYWNI-UHFFFAOYSA-N 0 0 308.359 0.912 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000249242899 299847526 /nfs/dbraw/zinc/84/75/26/299847526.db2.gz DEYVGBIVXRDYRT-NWDGAFQWSA-N 0 0 324.468 0.472 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cn[nH]c1 ZINC000229963534 545947084 /nfs/dbraw/zinc/94/70/84/545947084.db2.gz RAFAYBUICHBMMW-GXSJLCMTSA-N 0 0 300.384 0.401 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[C@H](N3CCOCC3)C2)n1 ZINC000301976478 230015324 /nfs/dbraw/zinc/01/53/24/230015324.db2.gz MLFBJUGMYSVQQJ-AWEZNQCLSA-N 0 0 314.393 0.882 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000105923161 261108010 /nfs/dbraw/zinc/10/80/10/261108010.db2.gz UANCKKPPBGAUCC-ZJUUUORDSA-N 0 0 305.304 0.982 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)n1 ZINC000150740203 261109513 /nfs/dbraw/zinc/10/95/13/261109513.db2.gz SIOLAJIIVYTELE-NEPJUHHUSA-N 0 0 306.366 0.701 10 0 DCAERN CN(C)c1ncc(NC(=O)CCCCN2CCOCC2)cn1 ZINC000179292291 261112789 /nfs/dbraw/zinc/11/27/89/261112789.db2.gz LBDAUUXOGWVDPJ-UHFFFAOYSA-N 0 0 307.398 0.984 10 0 DCAERN COC(=O)[C@@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)CC(C)C ZINC000179438839 261113034 /nfs/dbraw/zinc/11/30/34/261113034.db2.gz YBIYYTPDPVXRMA-LLVKDONJSA-N 0 0 309.366 0.952 10 0 DCAERN CNC(=O)[C@@H](NCc1cc(=O)n2c(C)csc2n1)C(C)C ZINC000183688506 261116230 /nfs/dbraw/zinc/11/62/30/261116230.db2.gz BGPYVDBWIVIYMS-LBPRGKRZSA-N 0 0 308.407 0.925 10 0 DCAERN O=C(CCc1nc(-c2ccncc2)no1)NCC(F)(F)CO ZINC000183927222 261117741 /nfs/dbraw/zinc/11/77/41/261117741.db2.gz DKGUSKLXCDFLAH-UHFFFAOYSA-N 0 0 312.276 0.808 10 0 DCAERN NC(=O)c1cccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)c1 ZINC000186583609 261121365 /nfs/dbraw/zinc/12/13/65/261121365.db2.gz VTYMHCXXDAUEGJ-UHFFFAOYSA-N 0 0 323.312 0.347 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)NCCC2CCCC2)C1 ZINC000186145625 261121496 /nfs/dbraw/zinc/12/14/96/261121496.db2.gz WYEWTIYMYINGHT-UHFFFAOYSA-N 0 0 303.428 0.757 10 0 DCAERN CC(C)CN1CCN(C(=O)NCCCn2ccnn2)CC1=O ZINC000187440984 261123566 /nfs/dbraw/zinc/12/35/66/261123566.db2.gz DLGYEHMYDIYNCO-UHFFFAOYSA-N 0 0 308.386 0.178 10 0 DCAERN COC(=O)C1CCC(C(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000187882202 261125187 /nfs/dbraw/zinc/12/51/87/261125187.db2.gz RVJWBNAVURFGMR-UHFFFAOYSA-N 0 0 308.334 0.974 10 0 DCAERN CN(C)c1ncccc1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188241639 261126219 /nfs/dbraw/zinc/12/62/19/261126219.db2.gz NXDXTXDBWPQAFX-UHFFFAOYSA-N 0 0 324.344 0.709 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000188732152 261129262 /nfs/dbraw/zinc/12/92/62/261129262.db2.gz MEAZQBVJOXWIJP-GWCFXTLKSA-N 0 0 310.398 0.371 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)s1 ZINC000194230036 261145087 /nfs/dbraw/zinc/14/50/87/261145087.db2.gz ONQOYAIYNCEHLW-QPUJVOFHSA-N 0 0 309.391 0.639 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000194830777 261148696 /nfs/dbraw/zinc/14/86/96/261148696.db2.gz RRMKZZQCYAAMQN-ZDUSSCGKSA-N 0 0 307.394 0.374 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCCCC(=O)N(C)C)s1 ZINC000195048320 261150468 /nfs/dbraw/zinc/15/04/68/261150468.db2.gz GOGQNRXRRXIPKQ-UHFFFAOYSA-N 0 0 311.407 0.982 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc1Cl ZINC000354871492 261281008 /nfs/dbraw/zinc/28/10/08/261281008.db2.gz ZFTNEMLAPYWIMQ-UHFFFAOYSA-N 0 0 323.736 0.615 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)NC[C@@H]1CCCS1(=O)=O ZINC000357855751 261592530 /nfs/dbraw/zinc/59/25/30/261592530.db2.gz AYBDPZDVGFJALU-LBPRGKRZSA-N 0 0 322.390 0.939 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000357917759 261600961 /nfs/dbraw/zinc/60/09/61/261600961.db2.gz BCPXMUGVMXXQFY-QWHCGFSZSA-N 0 0 317.389 0.884 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)NC[C@H](CO)C1CC1 ZINC000358461781 261671181 /nfs/dbraw/zinc/67/11/81/261671181.db2.gz FPLJVMQREPXPQP-GFCCVEGCSA-N 0 0 307.398 0.822 10 0 DCAERN Cc1nccc(COc2cccc(C(=O)NCC(N)=O)c2)n1 ZINC000358576773 261684538 /nfs/dbraw/zinc/68/45/38/261684538.db2.gz FXVYLYVKROTNNV-UHFFFAOYSA-N 0 0 300.318 0.579 10 0 DCAERN COCCC1(C)CN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000358816872 261701979 /nfs/dbraw/zinc/70/19/79/261701979.db2.gz XYLLIOIDLBCZNF-NSHDSACASA-N 0 0 304.412 0.632 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@](C)(OC)C1CC1 ZINC000360464115 261834355 /nfs/dbraw/zinc/83/43/55/261834355.db2.gz BJQXWWLRSISZJP-FTGAXOIBSA-N 0 0 314.382 0.374 10 0 DCAERN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CC(=O)N(C)C2)c1 ZINC000360465777 261835156 /nfs/dbraw/zinc/83/51/56/261835156.db2.gz FKDXDYVZDFEENO-JTQLQIEISA-N 0 0 304.350 0.105 10 0 DCAERN CC(C)Oc1ccc(CCNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360490340 261837361 /nfs/dbraw/zinc/83/73/61/261837361.db2.gz JVLYBQNFZZWPHK-UHFFFAOYSA-N 0 0 319.405 0.864 10 0 DCAERN CCO[C@H](C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360798343 261877431 /nfs/dbraw/zinc/87/74/31/261877431.db2.gz CDLCONXMAQBNQZ-VXGBXAGGSA-N 0 0 318.439 0.732 10 0 DCAERN COC(=O)C[C@]1(NC(=O)c2cccc3ncnn32)CCOC1 ZINC000362144866 262003806 /nfs/dbraw/zinc/00/38/06/262003806.db2.gz FQPQCGGWQQWFAZ-CQSZACIVSA-N 0 0 304.306 0.181 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H]2CCC(=O)NC2)no1 ZINC000362311984 262021578 /nfs/dbraw/zinc/02/15/78/262021578.db2.gz HTSVZFIRRAZGRL-QMMMGPOBSA-N 0 0 309.322 0.339 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)CCn2ccnn2)no1 ZINC000362315101 262021719 /nfs/dbraw/zinc/02/17/19/262021719.db2.gz HJUVCYDIFNJPSY-UHFFFAOYSA-N 0 0 307.310 0.494 10 0 DCAERN COC(=O)C1(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000362390077 262028774 /nfs/dbraw/zinc/02/87/74/262028774.db2.gz RLIJEVRWCONSCT-UHFFFAOYSA-N 0 0 308.338 0.045 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccco1 ZINC000362463422 262037371 /nfs/dbraw/zinc/03/73/71/262037371.db2.gz HFCRYJYQWXNHPV-VHSXEESVSA-N 0 0 311.338 0.535 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 ZINC000362464449 262038632 /nfs/dbraw/zinc/03/86/32/262038632.db2.gz KKICMWXZIKHREN-BDAKNGLRSA-N 0 0 323.349 0.403 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000362676048 262060316 /nfs/dbraw/zinc/06/03/16/262060316.db2.gz XLEMBJDEVQYDEB-GWCFXTLKSA-N 0 0 304.346 0.873 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000362961045 262089414 /nfs/dbraw/zinc/08/94/14/262089414.db2.gz CNIHPVWYNNJEFZ-CHWSQXEVSA-N 0 0 305.382 0.516 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000363246589 262108501 /nfs/dbraw/zinc/10/85/01/262108501.db2.gz ZEQUBMDWLVUFOU-NWDGAFQWSA-N 0 0 311.407 0.177 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000363419569 262115958 /nfs/dbraw/zinc/11/59/58/262115958.db2.gz WKIFOLBLBCUINV-LBPRGKRZSA-N 0 0 322.390 0.316 10 0 DCAERN O=C(COc1ccccc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000363580314 262122631 /nfs/dbraw/zinc/12/26/31/262122631.db2.gz NUACPOYCTOUWDX-HNNXBMFYSA-N 0 0 318.373 0.962 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363789840 262130328 /nfs/dbraw/zinc/13/03/28/262130328.db2.gz FUIYAJXNYSJRKP-ZDUSSCGKSA-N 0 0 304.350 0.334 10 0 DCAERN O=C(c1ncn(-c2ccccc2)n1)N1CCN2CCOC[C@H]2C1 ZINC000363815354 262132084 /nfs/dbraw/zinc/13/20/84/262132084.db2.gz FMFOYBGZSGOTFQ-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363814914 262132600 /nfs/dbraw/zinc/13/26/00/262132600.db2.gz DXUZSIUOSWYJJQ-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000396418885 262163182 /nfs/dbraw/zinc/16/31/82/262163182.db2.gz YFYUDIBIRPAVQP-UKRRQHHQSA-N 0 0 301.390 0.855 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412070153 262180340 /nfs/dbraw/zinc/18/03/40/262180340.db2.gz JPJZBCRURZNABV-UNEWFSDZSA-N 0 0 323.389 0.711 10 0 DCAERN COCC(COC)N1CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC000412434665 262189155 /nfs/dbraw/zinc/18/91/55/262189155.db2.gz ITIGGDPQWHACRP-UHFFFAOYSA-N 0 0 324.425 0.883 10 0 DCAERN Cn1c2ccccc2n(CCC(=O)NC[C@H](CO)C2CC2)c1=O ZINC000358321058 271049369 /nfs/dbraw/zinc/04/93/69/271049369.db2.gz PFYDPUZANKDQAX-CYBMUJFWSA-N 0 0 317.389 0.865 10 0 DCAERN COCCOc1ncccc1CNC(=O)NC[C@@H](CO)C1CC1 ZINC000358552973 271057384 /nfs/dbraw/zinc/05/73/84/271057384.db2.gz AKQQGSQIMAVVHV-AWEZNQCLSA-N 0 0 323.393 0.925 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCC(C)(C)C(N)=O)no1 ZINC000358555140 271058685 /nfs/dbraw/zinc/05/86/85/271058685.db2.gz HQFUMKCXAMDLBV-MRVPVSSYSA-N 0 0 313.358 0.478 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@@H](OC)C(C)C)n1 ZINC000359230430 271107415 /nfs/dbraw/zinc/10/74/15/271107415.db2.gz IGSBIJDFZHZZCD-CYBMUJFWSA-N 0 0 323.393 0.536 10 0 DCAERN C[C@]1(O)CCN(C(=O)NCCCc2nnc3ccccn32)C1 ZINC000359229624 271108143 /nfs/dbraw/zinc/10/81/43/271108143.db2.gz YKHPBPJOGYUYOK-HNNXBMFYSA-N 0 0 303.366 0.828 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(CCO)C2CCC2)n1 ZINC000359226865 271108375 /nfs/dbraw/zinc/10/83/75/271108375.db2.gz GQXSWYOCYMSGBH-UHFFFAOYSA-N 0 0 321.377 0.122 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)COCC1CC1 ZINC000359562151 271126346 /nfs/dbraw/zinc/12/63/46/271126346.db2.gz XHAIOVKYDNSETF-SWLSCSKDSA-N 0 0 320.389 0.709 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1=O ZINC000361028167 271172819 /nfs/dbraw/zinc/17/28/19/271172819.db2.gz HFVYMFBOVBVZCR-LBPRGKRZSA-N 0 0 321.356 0.283 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000361054212 271174447 /nfs/dbraw/zinc/17/44/47/271174447.db2.gz AQHZMDUPXGNWGT-VIFPVBQESA-N 0 0 300.318 0.843 10 0 DCAERN COC[C@@H](O)CN1CCNC(=O)[C@@H]1c1c(C)nc2ccccn21 ZINC000361465434 271181624 /nfs/dbraw/zinc/18/16/24/271181624.db2.gz RCFVZJOKWINFEH-WFASDCNBSA-N 0 0 318.377 0.123 10 0 DCAERN CCCCS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000363324180 271184389 /nfs/dbraw/zinc/18/43/89/271184389.db2.gz KMVGTRKPDBEXNS-LBPRGKRZSA-N 0 0 304.412 0.486 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000363932763 271208892 /nfs/dbraw/zinc/20/88/92/271208892.db2.gz FYJVTAOSORRQNE-UHFFFAOYSA-N 0 0 316.357 0.867 10 0 DCAERN COC1(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CCOCC1 ZINC000375129126 271217291 /nfs/dbraw/zinc/21/72/91/271217291.db2.gz FYSUUODZGZRZQJ-HNNXBMFYSA-N 0 0 313.394 0.979 10 0 DCAERN C[C@H]1Oc2ccc(C(=O)Cn3ncsc3=O)cc2NC1=O ZINC000442913666 271687865 /nfs/dbraw/zinc/68/78/65/271687865.db2.gz PIXXNPTVPSPYEW-SSDOTTSWSA-N 0 0 305.315 0.907 10 0 DCAERN CN(C)c1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 ZINC000447464540 271789132 /nfs/dbraw/zinc/78/91/32/271789132.db2.gz VQLCZRDZXGLJLZ-INIZCTEOSA-N 0 0 316.361 0.699 10 0 DCAERN O=C(NCCCCCO)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000448324770 271820382 /nfs/dbraw/zinc/82/03/82/271820382.db2.gz IZOVZJTUDKKNEM-UHFFFAOYSA-N 0 0 320.393 0.899 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000471666506 272028796 /nfs/dbraw/zinc/02/87/96/272028796.db2.gz BHRWCSWOYUILBM-VHSXEESVSA-N 0 0 316.379 0.827 10 0 DCAERN COC(=O)c1cc(NS(=O)(=O)N2CCC[C@H]2C)cn1C ZINC000471960978 272033575 /nfs/dbraw/zinc/03/35/75/272033575.db2.gz NFXBSMSIGCMOSF-SECBINFHSA-N 0 0 301.368 0.953 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000478631785 272034429 /nfs/dbraw/zinc/03/44/29/272034429.db2.gz PXGIPWHQBQHNLX-ZDUSSCGKSA-N 0 0 320.393 0.970 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCS1 ZINC000487119401 272038206 /nfs/dbraw/zinc/03/82/06/272038206.db2.gz NCLAJCPIFYITKL-KXUCPTDWSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)n1 ZINC000487104262 272038377 /nfs/dbraw/zinc/03/83/77/272038377.db2.gz POYGCWLZZHECEN-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(C)n1 ZINC000488743482 272049735 /nfs/dbraw/zinc/04/97/35/272049735.db2.gz IKEANFWJFLCTEM-IUCAKERBSA-N 0 0 323.353 0.363 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)CC1CC1 ZINC000489582027 272063561 /nfs/dbraw/zinc/06/35/61/272063561.db2.gz UBVIYVRBGORIGP-CMPLNLGQSA-N 0 0 303.428 0.898 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)n(C)n1 ZINC000491603380 272102597 /nfs/dbraw/zinc/10/25/97/272102597.db2.gz CBKQVPYZZSPMAR-VIFPVBQESA-N 0 0 318.381 0.700 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC(CC)CC ZINC000491939166 272110100 /nfs/dbraw/zinc/11/01/00/272110100.db2.gz VGKAAJQOAMLHHR-VHSXEESVSA-N 0 0 301.387 0.931 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000494417300 272221908 /nfs/dbraw/zinc/22/19/08/272221908.db2.gz WKPBQXJFPSGLIJ-UHFFFAOYSA-N 0 0 311.426 0.568 10 0 DCAERN O=C(CCCCN1C(=O)c2ccccc2C1=O)NCCCO ZINC000505635562 272392800 /nfs/dbraw/zinc/39/28/00/272392800.db2.gz OBTJVAKYILCPCP-UHFFFAOYSA-N 0 0 304.346 0.952 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cccc3ncnn32)[C@H](C)C1 ZINC000526011552 272586749 /nfs/dbraw/zinc/58/67/49/272586749.db2.gz GBQOVUDITSGHGU-NEPJUHHUSA-N 0 0 303.366 0.256 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccccc1Cn1cccn1 ZINC000531821253 272770132 /nfs/dbraw/zinc/77/01/32/272770132.db2.gz XLAMAQYEZOHFFP-UHFFFAOYSA-N 0 0 311.349 0.727 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1C ZINC000177605381 274267785 /nfs/dbraw/zinc/26/77/85/274267785.db2.gz YCYJXOGELLGTOB-VXGBXAGGSA-N 0 0 323.368 0.678 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-n3ccnc3)ccn1)CC2 ZINC000272434595 274854210 /nfs/dbraw/zinc/85/42/10/274854210.db2.gz OLUJAXMXXCLYGZ-GFCCVEGCSA-N 0 0 323.360 0.912 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC000533640853 287799436 /nfs/dbraw/zinc/79/94/36/287799436.db2.gz GDTMQGLKHZTNKH-GHMZBOCLSA-N 0 0 319.427 0.120 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)C1 ZINC000535713090 287837379 /nfs/dbraw/zinc/83/73/79/287837379.db2.gz DIBZEKPXBBUIGY-MNOVXSKESA-N 0 0 301.412 0.558 10 0 DCAERN O=C(c1ccc(-n2ccnc2)nn1)N1CCSC[C@H]1CCO ZINC000536647532 287860471 /nfs/dbraw/zinc/86/04/71/287860471.db2.gz SBRYRKYVDYBVEW-LLVKDONJSA-N 0 0 319.390 0.602 10 0 DCAERN CN1CCC[C@H](N2CCn3c(nnc3-c3cccnc3)C2)C1=O ZINC000539808626 287896744 /nfs/dbraw/zinc/89/67/44/287896744.db2.gz KBHJMPBWHIMMDS-ZDUSSCGKSA-N 0 0 312.377 0.777 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000181281032 276643239 /nfs/dbraw/zinc/64/32/39/276643239.db2.gz XKJJSLSCEGZKRY-ZDUSSCGKSA-N 0 0 322.413 0.463 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000277725433 277016205 /nfs/dbraw/zinc/01/62/05/277016205.db2.gz PSNWFBGDPUJDTO-NWANDNLSSA-N 0 0 318.373 0.998 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000269605913 277018862 /nfs/dbraw/zinc/01/88/62/277018862.db2.gz IWURXEJETJRAIV-ZDUSSCGKSA-N 0 0 323.740 0.893 10 0 DCAERN CC(=O)N[C@@H]1CCCN(c2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000407985617 277047066 /nfs/dbraw/zinc/04/70/66/277047066.db2.gz PDGKNHZIDNJTIC-SECBINFHSA-N 0 0 318.424 0.204 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000195237717 277058451 /nfs/dbraw/zinc/05/84/51/277058451.db2.gz HMWVLNAIFCKXOW-VHSXEESVSA-N 0 0 321.299 0.277 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@@H]1CCO[C@@H]1C ZINC000329200219 277210758 /nfs/dbraw/zinc/21/07/58/277210758.db2.gz VEOJNXUGCSMMSE-RQJABVFESA-N 0 0 300.399 0.358 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408413711 277331298 /nfs/dbraw/zinc/33/12/98/277331298.db2.gz CXMFPMBLKTUPDG-RYUDHWBXSA-N 0 0 305.382 0.876 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H](O)CN1CCCC1=O ZINC000248820809 277374066 /nfs/dbraw/zinc/37/40/66/277374066.db2.gz JFMMUPUKQKJGQU-JLNYLFASSA-N 0 0 310.394 0.243 10 0 DCAERN C[C@@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)C(=O)N(C)C ZINC000193252910 277608210 /nfs/dbraw/zinc/60/82/10/277608210.db2.gz GHZJEFGOJXZXCZ-ZYHUDNBSSA-N 0 0 318.377 0.888 10 0 DCAERN O=C(C1CCC1)N1CCN(CCNc2nccc(CO)n2)CC1 ZINC000545928650 288006558 /nfs/dbraw/zinc/00/65/58/288006558.db2.gz OSWHDHXDXQXOFB-UHFFFAOYSA-N 0 0 319.409 0.325 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000545883523 288003645 /nfs/dbraw/zinc/00/36/45/288003645.db2.gz IFQMTZBQYFGFEG-LBPRGKRZSA-N 0 0 320.374 0.748 10 0 DCAERN CC(C)c1ccc(OCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091785063 278041962 /nfs/dbraw/zinc/04/19/62/278041962.db2.gz PASJRXOVHSKAPT-AWEZNQCLSA-N 0 0 306.362 0.902 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000408152204 278061334 /nfs/dbraw/zinc/06/13/34/278061334.db2.gz XOVSGVSUVZOLMY-FXPVBKGRSA-N 0 0 322.452 0.188 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cccnc1N(C)C ZINC000195078975 278066829 /nfs/dbraw/zinc/06/68/29/278066829.db2.gz JPXOUJUBOSBSHE-LBPRGKRZSA-N 0 0 308.407 0.685 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248856393 278090511 /nfs/dbraw/zinc/09/05/11/278090511.db2.gz RFJSWQJVPLOZSV-BFHYXJOUSA-N 0 0 307.394 0.864 10 0 DCAERN Cc1nnc([C@@H](C)NC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000546136223 288016234 /nfs/dbraw/zinc/01/62/34/288016234.db2.gz ONTWRAGBWRHUHU-KOLCDFICSA-N 0 0 311.411 0.634 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)[C@H]2COCCO2)C1 ZINC000408058855 278149295 /nfs/dbraw/zinc/14/92/95/278149295.db2.gz NGTAZWGFHZGYSB-GMTAPVOTSA-N 0 0 324.299 0.460 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076260 278380787 /nfs/dbraw/zinc/38/07/87/278380787.db2.gz GBXJIQPSWGDOMK-UWVGGRQHSA-N 0 0 317.345 0.744 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000126496567 278683377 /nfs/dbraw/zinc/68/33/77/278683377.db2.gz QJFIZRWVZGRKBT-VXGBXAGGSA-N 0 0 318.439 0.573 10 0 DCAERN Cc1nc(C)c(NC(=O)N[C@@H]2CCCN(CCO)C2=O)s1 ZINC000547775691 288077631 /nfs/dbraw/zinc/07/76/31/288077631.db2.gz LUTMHNYSMGFAKU-SNVBAGLBSA-N 0 0 312.395 0.865 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3ccoc3)CCO2)n1 ZINC000547797210 288080405 /nfs/dbraw/zinc/08/04/05/288080405.db2.gz OADFDRHAXRTUOA-CQSZACIVSA-N 0 0 304.350 0.958 10 0 DCAERN CCn1cc(-c2nn(C)cc2C(=O)NCc2ccn(C)n2)cn1 ZINC000547959875 288096289 /nfs/dbraw/zinc/09/62/89/288096289.db2.gz HXDHXRZJQSEOFX-UHFFFAOYSA-N 0 0 313.365 0.967 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000547967901 288096651 /nfs/dbraw/zinc/09/66/51/288096651.db2.gz DYFSSTQAPYQWAH-NSHDSACASA-N 0 0 319.361 0.643 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000547979875 288097874 /nfs/dbraw/zinc/09/78/74/288097874.db2.gz DUHOSYPVFKYFLE-AAEUAGOBSA-N 0 0 314.345 0.940 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000548064186 288108316 /nfs/dbraw/zinc/10/83/16/288108316.db2.gz QCEZXTBYSWILRH-XJKSGUPXSA-N 0 0 320.389 0.817 10 0 DCAERN C[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)c1nnc2ccccn21 ZINC000548082465 288110222 /nfs/dbraw/zinc/11/02/22/288110222.db2.gz CMTPQAOKQTVBBL-SNVBAGLBSA-N 0 0 301.350 0.775 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3CCCc4nc[nH]c43)CCO2)[nH]1 ZINC000548091791 288110691 /nfs/dbraw/zinc/11/06/91/288110691.db2.gz BIYSJRRRZPPVGR-CMPLNLGQSA-N 0 0 316.365 0.856 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000179168537 279212731 /nfs/dbraw/zinc/21/27/31/279212731.db2.gz QRXQRJOIAMMZGX-YPMHNXCESA-N 0 0 306.366 0.695 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1CC1CCS(=O)(=O)CC1 ZINC000548299791 288129940 /nfs/dbraw/zinc/12/99/40/288129940.db2.gz XTTXBLXAWZNVEI-CYBMUJFWSA-N 0 0 302.440 0.754 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)c1cn2cccnc2n1 ZINC000548582616 288157137 /nfs/dbraw/zinc/15/71/37/288157137.db2.gz ZQYLLPBUGTWIHS-AAEUAGOBSA-N 0 0 320.349 0.280 10 0 DCAERN COCc1cc(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)ncn1 ZINC000548600208 288158831 /nfs/dbraw/zinc/15/88/31/288158831.db2.gz YEDSYRRGOMLWGK-LBPRGKRZSA-N 0 0 320.349 0.199 10 0 DCAERN CC(C)[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092228855 279883958 /nfs/dbraw/zinc/88/39/58/279883958.db2.gz CJOVQAXKWDUSBI-GDBMZVCRSA-N 0 0 319.405 0.686 10 0 DCAERN C[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@]2(CCCOC2)O1 ZINC000548828280 288180612 /nfs/dbraw/zinc/18/06/12/288180612.db2.gz YMDTUJZNYVFAJA-WFASDCNBSA-N 0 0 309.366 0.595 10 0 DCAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCNC(=O)CC1 ZINC000072525958 279951498 /nfs/dbraw/zinc/95/14/98/279951498.db2.gz NWWRYRGOLMCQHR-STQMWFEESA-N 0 0 305.382 0.898 10 0 DCAERN Cn1cc(OCC(=O)N2CCN[C@H](c3ccncc3)C2)cn1 ZINC000548885564 288184663 /nfs/dbraw/zinc/18/46/63/288184663.db2.gz QJEKMVCOAIMCJO-AWEZNQCLSA-N 0 0 301.350 0.367 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000548903983 288186311 /nfs/dbraw/zinc/18/63/11/288186311.db2.gz UHTANFIVTHZUHY-LLVKDONJSA-N 0 0 305.382 0.753 10 0 DCAERN C[C@H](CNC(=O)NC1(CCO)CCCCC1)S(C)(=O)=O ZINC000549161074 288193963 /nfs/dbraw/zinc/19/39/63/288193963.db2.gz KRJANLNWYFVALP-LLVKDONJSA-N 0 0 306.428 0.804 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@H](C)O1 ZINC000329548901 288233048 /nfs/dbraw/zinc/23/30/48/288233048.db2.gz DZYMYPRQDMNDAE-WRWGMCAJSA-N 0 0 317.411 0.391 10 0 DCAERN CC[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@]2(CCOC2)O1 ZINC000408329364 280393770 /nfs/dbraw/zinc/39/37/70/280393770.db2.gz YODBNAVWGYJLNC-IAQYHMDHSA-N 0 0 308.334 0.789 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1COCCN1C)[C@H]2C ZINC000329021963 280725700 /nfs/dbraw/zinc/72/57/00/280725700.db2.gz IDNWMRABZARCFU-RYUDHWBXSA-N 0 0 307.398 0.635 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCN(C)C1=O ZINC000552140298 288266077 /nfs/dbraw/zinc/26/60/77/288266077.db2.gz MHRRWRXTCPSKIO-NSHDSACASA-N 0 0 305.334 0.516 10 0 DCAERN O=C(NC[C@H]1CCC[C@H](O)C1)C(=O)Nc1ccc2nccn2c1 ZINC000552743948 288279931 /nfs/dbraw/zinc/27/99/31/288279931.db2.gz NPYDPSZLGBKGNJ-AAEUAGOBSA-N 0 0 316.361 0.940 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC000554579566 288330730 /nfs/dbraw/zinc/33/07/30/288330730.db2.gz UCMRQZPDWZWVRY-LALPHHSUSA-N 0 0 309.366 0.594 10 0 DCAERN CC(C)NC(=O)c1nnc(N2CCC[C@@]3(CNC(=O)C3)C2)n1C ZINC000554614312 288333493 /nfs/dbraw/zinc/33/34/93/288333493.db2.gz XAYMKERYDDHVKX-OAHLLOKOSA-N 0 0 320.397 0.060 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000373055025 288338956 /nfs/dbraw/zinc/33/89/56/288338956.db2.gz HMIMFYDSAMPOFO-UHOFOFEASA-N 0 0 318.373 0.832 10 0 DCAERN O=C(N[C@H]1Cc2cccc(O)c2C1)N1CCN2CCOC[C@@H]2C1 ZINC000555663201 288359775 /nfs/dbraw/zinc/35/97/75/288359775.db2.gz AKRJPTHGNNUYNK-KBPBESRZSA-N 0 0 317.389 0.585 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)C(C)C ZINC000557622647 288426082 /nfs/dbraw/zinc/42/60/82/288426082.db2.gz STWIFXFDLJLIEC-GXSJLCMTSA-N 0 0 304.412 0.229 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000557851585 288432958 /nfs/dbraw/zinc/43/29/58/288432958.db2.gz GJSDHFVXZGYNJR-QWRGUYRKSA-N 0 0 310.441 0.130 10 0 DCAERN O=C(c1cccc2ncnn21)N1CC(=O)N(CC(F)(F)F)C1 ZINC000562334115 288566675 /nfs/dbraw/zinc/56/66/75/288566675.db2.gz HINHKEWADMNZFV-UHFFFAOYSA-N 0 0 313.239 0.534 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ncccn2)C1)C(C)C ZINC000563173670 288643755 /nfs/dbraw/zinc/64/37/55/288643755.db2.gz BUDVZLIOBKQLMU-OLZOCXBDSA-N 0 0 305.382 0.650 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000188978885 288865241 /nfs/dbraw/zinc/86/52/41/288865241.db2.gz WEKITUULZNFUIF-AAEUAGOBSA-N 0 0 306.366 0.410 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1 ZINC000329228075 289024862 /nfs/dbraw/zinc/02/48/62/289024862.db2.gz BLQXRHPAKQNQLT-MCIONIFRSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@]1(C(=O)N[C@@H]2COc3ccccc3C2=O)CCC(=O)NC1 ZINC000282757477 289145418 /nfs/dbraw/zinc/14/54/18/289145418.db2.gz NYUXDXKUBAQDJX-BDJLRTHQSA-N 0 0 302.330 0.663 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@@H]21 ZINC000408021889 290082126 /nfs/dbraw/zinc/08/21/26/290082126.db2.gz JYPQPLROTZNFPO-AEGPPILISA-N 0 0 319.409 0.382 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841460 290087517 /nfs/dbraw/zinc/08/75/17/290087517.db2.gz PMFUTNIKJDYEDC-ZIAGYGMSSA-N 0 0 317.455 0.512 10 0 DCAERN C[C@H]1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@@H](C(N)=O)C1 ZINC000408372450 290567268 /nfs/dbraw/zinc/56/72/68/290567268.db2.gz CBJDHVRSNVYZMN-JOYOIKCWSA-N 0 0 317.345 0.744 10 0 DCAERN Cc1csc2ncc(C(=O)N3CC[C@@H](C)[C@@H](O)C3)c(=O)n12 ZINC000408118949 293077206 /nfs/dbraw/zinc/07/72/06/293077206.db2.gz ASEMHULKISPAMJ-KCJUWKMLSA-N 0 0 307.375 0.907 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](O)C(C)(C)C2)C[C@@H](C)O1 ZINC000312827708 297053292 /nfs/dbraw/zinc/05/32/92/297053292.db2.gz LVMOFKNMTPYRRC-IJLUTSLNSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC[C@@H]2C)C[C@@H](C)O1 ZINC000330351432 297054988 /nfs/dbraw/zinc/05/49/88/297054988.db2.gz MFLPXQQRWLHPCC-PSSAVFPESA-N 0 0 324.468 0.183 10 0 DCAERN Cn1c([C@@H]2NC(=O)[C@@H]3CCCCN23)nc2c1c(=O)[nH]c(=O)n2C ZINC000329575565 294173262 /nfs/dbraw/zinc/17/32/62/294173262.db2.gz BCAYCVSTSUPMHB-WRWORJQWSA-N 0 0 318.337 0.196 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[S@@]1=O ZINC000408424058 297070628 /nfs/dbraw/zinc/07/06/28/297070628.db2.gz BYNDQOKAGZXVAO-JWCBKOKGSA-N 0 0 310.423 0.368 10 0 DCAERN Cn1cc(C(=O)NC[C@@]2(O)CCCC(C)(C)C2)c(=O)[nH]c1=O ZINC000408417503 294219151 /nfs/dbraw/zinc/21/91/51/294219151.db2.gz RUDMVDQSVONNTI-OAHLLOKOSA-N 0 0 309.366 0.547 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)c(C)c1 ZINC000281836676 295187426 /nfs/dbraw/zinc/18/74/26/295187426.db2.gz AIFGNTSIHHTXJR-UHFFFAOYSA-N 0 0 312.391 0.903 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCCC1 ZINC000408188322 295474878 /nfs/dbraw/zinc/47/48/78/295474878.db2.gz SIPAVYFYJOCAIP-SDDRHHMPSA-N 0 0 301.408 0.573 10 0 DCAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cnnn1C ZINC000333340490 297163454 /nfs/dbraw/zinc/16/34/54/297163454.db2.gz SSPMPLPNFVNQCF-DGCLKSJQSA-N 0 0 322.390 0.966 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000408208942 297784139 /nfs/dbraw/zinc/78/41/39/297784139.db2.gz YJQYIPCKNZWOIH-GGRBLDGOSA-N 0 0 301.412 0.158 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521354 298186637 /nfs/dbraw/zinc/18/66/37/298186637.db2.gz PHJPSCLDYZONFV-XGFWRYKXSA-N 0 0 311.426 0.644 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000249244207 298232457 /nfs/dbraw/zinc/23/24/57/298232457.db2.gz DNLSLYXNRPTNPJ-JGVFFNPUSA-N 0 0 323.358 0.776 10 0 DCAERN C[C@H]1O[C@@H](n2cc(Cl)c(N)nc2=O)[C@H]2OC(C)(C)O[C@H]12 ZINC000044019758 300643764 /nfs/dbraw/zinc/64/37/64/300643764.db2.gz IXWKHHKVSDMPMQ-PJGXCUNHSA-N 0 0 301.730 0.916 10 0 in-vitro DCAERN C[C@]1(C(=O)N[C@H]2COc3ccccc3C2=O)CCC(=O)NC1 ZINC000282757482 300773937 /nfs/dbraw/zinc/77/39/37/300773937.db2.gz NYUXDXKUBAQDJX-ZBEGNZNMSA-N 0 0 302.330 0.663 10 0 DCAERN O=C1N[C@H](CF)C(=O)N1[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000329457676 304697107 /nfs/dbraw/zinc/69/71/07/304697107.db2.gz QTLGKNFTHCHVNU-ZJUUUORDSA-N 0 0 312.322 0.999 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1S(=O)(=O)N(C)C ZINC000183675617 301321505 /nfs/dbraw/zinc/32/15/05/301321505.db2.gz RWWVBJYLDZXHDH-GFCCVEGCSA-N 0 0 315.370 0.413 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327456 301340839 /nfs/dbraw/zinc/34/08/39/301340839.db2.gz LNXIVILXJFNJLP-GFCCVEGCSA-N 0 0 306.366 0.283 10 0 DCAERN Cc1nc(C)n(C2CN(C(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)C2)n1 ZINC000333509797 302579840 /nfs/dbraw/zinc/57/98/40/302579840.db2.gz UCXOMFJMDJABLL-KWCYVHTRSA-N 0 0 306.366 0.330 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000408240908 302974829 /nfs/dbraw/zinc/97/48/29/302974829.db2.gz GOHYPCNFSXEAPK-YPMHNXCESA-N 0 0 312.391 0.360 10 0 DCAERN Cn1nccc1[C@@H]1[C@H](C(=O)N2CCC(C)(O)CC2)CC(=O)N1C ZINC000328947063 303084171 /nfs/dbraw/zinc/08/41/71/303084171.db2.gz VSDRRWMIMAQQQJ-RISCZKNCSA-N 0 0 320.393 0.313 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)nc1 ZINC000261919067 303342663 /nfs/dbraw/zinc/34/26/63/303342663.db2.gz IIOZBQGUEOOMNB-AWEZNQCLSA-N 0 0 311.345 0.362 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388134194 1159130579 /nfs/dbraw/zinc/13/05/79/1159130579.db2.gz WJOGVAVCQOXAMT-KNVOCYPGSA-N 0 0 324.134 0.189 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186028835 332910100 /nfs/dbraw/zinc/91/01/00/332910100.db2.gz PYIKAWXYDPLFCM-BBRMVZONSA-N 0 0 310.394 0.651 10 0 DCAERN CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000582129558 332607632 /nfs/dbraw/zinc/60/76/32/332607632.db2.gz OKWQCWQGCBHPOK-OLZOCXBDSA-N 0 0 310.394 0.557 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CC(=O)N(C)C(=O)C2)cc1 ZINC000580214940 333014665 /nfs/dbraw/zinc/01/46/65/333014665.db2.gz KEHKYZGIBMBKAH-UHFFFAOYSA-N 0 0 303.318 0.110 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)C1 ZINC000188616671 333050741 /nfs/dbraw/zinc/05/07/41/333050741.db2.gz HBLXTTOPOKDMSR-NSHDSACASA-N 0 0 313.361 0.923 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181256880 333168461 /nfs/dbraw/zinc/16/84/61/333168461.db2.gz MWUNQJGUQRDKHF-VHSXEESVSA-N 0 0 317.411 0.022 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000332930379 333323640 /nfs/dbraw/zinc/32/36/40/333323640.db2.gz SZTBVGYMDUSIAY-NWDGAFQWSA-N 0 0 303.370 0.425 10 0 DCAERN Cn1cnc(CCNC(=O)Nc2ccc(N3CCC3=O)cc2)n1 ZINC000582704502 337122420 /nfs/dbraw/zinc/12/24/20/337122420.db2.gz OMDIUCGACRRJBR-UHFFFAOYSA-N 0 0 314.349 0.916 10 0 DCAERN CCc1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@H]1CCOC1 ZINC000582798705 337173633 /nfs/dbraw/zinc/17/36/33/337173633.db2.gz DIRKPROJSLBQBN-KGLIPLIRSA-N 0 0 321.425 0.398 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1nnc[nH]1 ZINC000584539476 337359392 /nfs/dbraw/zinc/35/93/92/337359392.db2.gz SVLVEIGRBFWHSH-CQSZACIVSA-N 0 0 313.361 0.437 10 0 DCAERN CC(=O)NC(=O)OCc1cccc(COC(=O)NC(C)=O)n1 ZINC000584600881 337370795 /nfs/dbraw/zinc/37/07/95/337370795.db2.gz LKBFVIDBELQPNA-UHFFFAOYSA-N 0 0 309.278 0.627 10 0 DCAERN O=C(CO)NCCCCCCCCCCCNC(=O)CO ZINC000584604656 337371403 /nfs/dbraw/zinc/37/14/03/337371403.db2.gz BEAAGRYOQDUEEA-UHFFFAOYSA-N 0 0 302.415 0.714 10 0 DCAERN COC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OC)[C@@H]1O ZINC000584591633 337373520 /nfs/dbraw/zinc/37/35/20/337373520.db2.gz ORYHBWOGYKLSRP-LJIZCISZSA-N 0 0 312.362 0.965 10 0 DCAERN CCOC(=O)CN1CCN(c2ncnc(Cl)c2F)CC1 ZINC000584620794 337374864 /nfs/dbraw/zinc/37/48/64/337374864.db2.gz XZOSIFBIRUMIAI-UHFFFAOYSA-N 0 0 302.737 0.954 10 0 DCAERN CC(=O)c1cc(C)cn2c(=O)cc(N3CCN(C)CC3)nc12 ZINC000584654559 337377716 /nfs/dbraw/zinc/37/77/16/337377716.db2.gz DAFSUYNNKWBIFT-UHFFFAOYSA-N 0 0 300.362 0.957 10 0 DCAERN COc1cc2c(ccnc2OC[C@@H]2CCC(=O)N2)cc1C(N)=O ZINC000584639729 337379881 /nfs/dbraw/zinc/37/98/81/337379881.db2.gz DKOZNISSKWTTSU-JTQLQIEISA-N 0 0 315.329 1.000 10 0 DCAERN COCC1(O)CN(C(=O)c2ncsc2Br)C1 ZINC000575429400 341797930 /nfs/dbraw/zinc/79/79/30/341797930.db2.gz RJXBNWQBDSBIBY-UHFFFAOYSA-N 0 0 307.169 0.739 10 0 DCAERN Cc1cnc(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000173887748 341820869 /nfs/dbraw/zinc/82/08/69/341820869.db2.gz VIPBDCFHIIZDTC-SECBINFHSA-N 0 0 318.424 0.285 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000174413820 341826672 /nfs/dbraw/zinc/82/66/72/341826672.db2.gz MTFRYHHETJVMFC-VIFPVBQESA-N 0 0 318.370 0.951 10 0 DCAERN Cn1nc(C2CC2)nc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000576751576 341861516 /nfs/dbraw/zinc/86/15/16/341861516.db2.gz UKPMJFDKEUAGFV-CYBMUJFWSA-N 0 0 302.382 0.790 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N1CCn2cnnc2C1 ZINC000577789829 341936825 /nfs/dbraw/zinc/93/68/25/341936825.db2.gz GHWDJSBMCOOAOI-UHFFFAOYSA-N 0 0 303.366 0.459 10 0 DCAERN COC(=O)Cc1ccccc1NC(=O)C(=O)c1cnn(C)c1 ZINC000177383396 533772541 /nfs/dbraw/zinc/77/25/41/533772541.db2.gz NZYGOMGQHFXFGH-UHFFFAOYSA-N 0 0 301.302 0.957 10 0 DCAERN C[C@@H]1CN(C(=O)COCCOc2ccccc2)CCN1CCO ZINC000188704979 534305846 /nfs/dbraw/zinc/30/58/46/534305846.db2.gz IKVSIEVAEZIVBQ-OAHLLOKOSA-N 0 0 322.405 0.607 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@H]1CCC(=O)NC1 ZINC000532673462 518200811 /nfs/dbraw/zinc/20/08/11/518200811.db2.gz NRPWPDMSNKQEEM-JTQLQIEISA-N 0 0 300.322 0.255 10 0 DCAERN CC(=O)c1cn(CC(=O)NC2CCCCC2)c(=O)n(C)c1=O ZINC000156647362 518477776 /nfs/dbraw/zinc/47/77/76/518477776.db2.gz AHWAANYJZFYKCE-UHFFFAOYSA-N 0 0 307.350 0.199 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000152606784 519396108 /nfs/dbraw/zinc/39/61/08/519396108.db2.gz VNEFCKHSJMQQGW-GFCCVEGCSA-N 0 0 318.439 0.922 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000188588357 519487623 /nfs/dbraw/zinc/48/76/23/519487623.db2.gz SICLOBRQINYBFH-KBPBESRZSA-N 0 0 322.361 0.409 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000120990609 519557588 /nfs/dbraw/zinc/55/75/88/519557588.db2.gz NVYABRBIFTVGNI-ZDUSSCGKSA-N 0 0 300.322 0.612 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000190512756 519648932 /nfs/dbraw/zinc/64/89/32/519648932.db2.gz FNDPVYJMFNLWSG-AWEZNQCLSA-N 0 0 315.373 0.382 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cc(C)c(F)cc2F)C1 ZINC000188559806 519649282 /nfs/dbraw/zinc/64/92/82/519649282.db2.gz WSUKSFJVXNKJQR-UHFFFAOYSA-N 0 0 304.318 0.782 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000154744821 519695281 /nfs/dbraw/zinc/69/52/81/519695281.db2.gz QAZCEOUXWHCOHK-HIFRSBDPSA-N 0 0 301.431 0.803 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000157043772 519800755 /nfs/dbraw/zinc/80/07/55/519800755.db2.gz HKHQXYSFVUPGJO-LBPRGKRZSA-N 0 0 317.349 0.339 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1C ZINC000117369045 519923039 /nfs/dbraw/zinc/92/30/39/519923039.db2.gz XYSZHTAOACCWCX-ZDUSSCGKSA-N 0 0 313.423 0.813 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)sc1C ZINC000193324632 534456875 /nfs/dbraw/zinc/45/68/75/534456875.db2.gz ZZHIKYVPSSDMMS-XCBNKYQSSA-N 0 0 324.406 0.811 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)N[C@H]2CCc3ccccc3C2)CCO1 ZINC000299568460 534460570 /nfs/dbraw/zinc/46/05/70/534460570.db2.gz NVZAWQKZRSFZFN-UONOGXRCSA-N 0 0 303.362 0.440 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000266249252 520472916 /nfs/dbraw/zinc/47/29/16/520472916.db2.gz MTMFRCDLGWVJEA-UHFFFAOYSA-N 0 0 320.393 0.359 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnns1 ZINC000189562760 520523720 /nfs/dbraw/zinc/52/37/20/520523720.db2.gz KVLPSPVHFXVOEF-MRVPVSSYSA-N 0 0 304.397 0.681 10 0 DCAERN CC1(C)C[C@@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000124565895 520530889 /nfs/dbraw/zinc/53/08/89/520530889.db2.gz HWFWYUFQLPDUFB-LLVKDONJSA-N 0 0 300.366 0.819 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000120890702 521504357 /nfs/dbraw/zinc/50/43/57/521504357.db2.gz KVWQFLZGMZHBSL-UHFFFAOYSA-N 0 0 313.427 0.940 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000153526453 521640592 /nfs/dbraw/zinc/64/05/92/521640592.db2.gz LIXCQVKERXTNFP-UHFFFAOYSA-N 0 0 314.411 0.733 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)N(C)CC2(CO)CC2)c1 ZINC000186959877 521886480 /nfs/dbraw/zinc/88/64/80/521886480.db2.gz PCHCOBCZZRZSCR-UHFFFAOYSA-N 0 0 305.378 0.960 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)NCCCN2CCCC2=O)c1CC ZINC000132273793 522121734 /nfs/dbraw/zinc/12/17/34/522121734.db2.gz HHPPXOIWRORNPO-UHFFFAOYSA-N 0 0 320.393 0.637 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@@H](C)CO ZINC000158836047 522291395 /nfs/dbraw/zinc/29/13/95/522291395.db2.gz HEHQABDKGPINMW-VHSXEESVSA-N 0 0 301.364 0.768 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@@H](C)OC)ncn1 ZINC000190633415 522569841 /nfs/dbraw/zinc/56/98/41/522569841.db2.gz HONINXOORGJOKG-NEPJUHHUSA-N 0 0 322.413 0.821 10 0 DCAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000189149433 522595973 /nfs/dbraw/zinc/59/59/73/522595973.db2.gz WWZXIVVMPBPWND-UKRRQHHQSA-N 0 0 317.389 0.832 10 0 DCAERN CNc1snc(C)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121951909 522725387 /nfs/dbraw/zinc/72/53/87/522725387.db2.gz AYQPMLFJRAUCIM-ZETCQYMHSA-N 0 0 303.409 0.752 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000188144913 522758509 /nfs/dbraw/zinc/75/85/09/522758509.db2.gz CDACMPFJYGEVRC-UHFFFAOYSA-N 0 0 311.769 0.996 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC000189667949 522761869 /nfs/dbraw/zinc/76/18/69/522761869.db2.gz DEYSQHVMRYEAGP-UHFFFAOYSA-N 0 0 317.345 0.764 10 0 DCAERN COc1cc(S(=O)(=O)NCCCC(=O)N(C)C)ccc1F ZINC000190561327 522898166 /nfs/dbraw/zinc/89/81/66/522898166.db2.gz GISRWAVGXRJLJU-UHFFFAOYSA-N 0 0 318.370 0.981 10 0 DCAERN COCCCCS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000155749616 523183545 /nfs/dbraw/zinc/18/35/45/523183545.db2.gz DLIGAJBUBBXERX-UHFFFAOYSA-N 0 0 318.439 0.687 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000155049814 523220786 /nfs/dbraw/zinc/22/07/86/523220786.db2.gz ABFJNMXARITGBY-MNOVXSKESA-N 0 0 321.381 0.244 10 0 DCAERN CCn1cc(C(=O)C(=O)NC[C@H](O)c2ccccc2OC)cn1 ZINC000130733361 523320755 /nfs/dbraw/zinc/32/07/55/523320755.db2.gz PJPDMDXNUKXDKM-ZDUSSCGKSA-N 0 0 317.345 0.944 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000129804056 523405537 /nfs/dbraw/zinc/40/55/37/523405537.db2.gz BJTYCEKIDBAVGJ-LLVKDONJSA-N 0 0 316.365 0.591 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)NCC(=O)N(C)C)CCO2)cn1 ZINC000190510285 523464494 /nfs/dbraw/zinc/46/44/94/523464494.db2.gz RXADTFLQGVAMSV-LBPRGKRZSA-N 0 0 309.370 0.074 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000118911018 523565419 /nfs/dbraw/zinc/56/54/19/523565419.db2.gz UQORIVYKNOGQID-JTQLQIEISA-N 0 0 301.368 0.619 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000159180058 534721300 /nfs/dbraw/zinc/72/13/00/534721300.db2.gz QSKPUFMVKUNFEA-GFCCVEGCSA-N 0 0 317.432 0.944 10 0 DCAERN CCn1ncc2ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc21 ZINC000125784866 523698791 /nfs/dbraw/zinc/69/87/91/523698791.db2.gz NXGDYRVHFZKQRD-SNVBAGLBSA-N 0 0 304.350 0.882 10 0 DCAERN CCn1ncc2ccc(NC(=O)CN3CC(=O)NC3=O)cc21 ZINC000111585226 523699938 /nfs/dbraw/zinc/69/99/38/523699938.db2.gz IWCAPKCZZAVXOE-UHFFFAOYSA-N 0 0 301.306 0.547 10 0 DCAERN CO[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC[C@H]1C ZINC000187937382 523729711 /nfs/dbraw/zinc/72/97/11/523729711.db2.gz PDZNNBWCITZJMW-ZWNOBZJWSA-N 0 0 318.377 0.757 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409865 523938549 /nfs/dbraw/zinc/93/85/49/523938549.db2.gz ZFHSHWDJGWGNOC-NSHDSACASA-N 0 0 315.320 0.786 10 0 DCAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(Br)nn1C ZINC000192111172 523953874 /nfs/dbraw/zinc/95/38/74/523953874.db2.gz VPDLSQHKVWDVFT-SSDOTTSWSA-N 0 0 316.155 0.960 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)nn1 ZINC000163259944 523999345 /nfs/dbraw/zinc/99/93/45/523999345.db2.gz VLTARMVVVLLPOH-YPMHNXCESA-N 0 0 321.381 0.007 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@](C)(O)c2ccccc2)CCC1=O ZINC000128731364 524010961 /nfs/dbraw/zinc/01/09/61/524010961.db2.gz NXLWUTVJGANSOV-XJKSGUPXSA-N 0 0 305.378 0.814 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000189531935 524032305 /nfs/dbraw/zinc/03/23/05/524032305.db2.gz DWSWJEULHXMRBT-VXGBXAGGSA-N 0 0 310.350 0.662 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000130526412 524042194 /nfs/dbraw/zinc/04/21/94/524042194.db2.gz WYUCMSQEUCZGJG-UHFFFAOYSA-N 0 0 320.397 0.080 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)NCCC2=CCCC2)CC1 ZINC000163612861 524071840 /nfs/dbraw/zinc/07/18/40/524071840.db2.gz FMWCVZJIVIDUSX-UHFFFAOYSA-N 0 0 308.426 0.996 10 0 DCAERN CNC(=O)NCC(=O)N1CCC(Nc2nc(C)cs2)CC1 ZINC000364278772 524078529 /nfs/dbraw/zinc/07/85/29/524078529.db2.gz BOJUDFUNFOKTEL-UHFFFAOYSA-N 0 0 311.411 0.783 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)nn2)c1 ZINC000153474526 524141789 /nfs/dbraw/zinc/14/17/89/524141789.db2.gz JGDLGAMWDNCRTL-LLVKDONJSA-N 0 0 313.317 0.111 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000188673150 524312474 /nfs/dbraw/zinc/31/24/74/524312474.db2.gz POROXBXCQXYHDH-YMTOWFKASA-N 0 0 324.352 0.726 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCS1(=O)=O ZINC000122378786 524453969 /nfs/dbraw/zinc/45/39/69/524453969.db2.gz YIYGVZXWPRLVCU-VIFPVBQESA-N 0 0 314.338 0.410 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)c(C)n1 ZINC000129569735 524459820 /nfs/dbraw/zinc/45/98/20/524459820.db2.gz VKSVPBGRYMUYHU-UHFFFAOYSA-N 0 0 317.349 0.658 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(Cc3nccc(N)n3)CCO2)n1 ZINC000135055645 524534096 /nfs/dbraw/zinc/53/40/96/524534096.db2.gz MOWGUIZYHQGPKP-ZDUSSCGKSA-N 0 0 302.382 0.773 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122362643 524571346 /nfs/dbraw/zinc/57/13/46/524571346.db2.gz ICZPMHWRVOOLCX-NSHDSACASA-N 0 0 310.375 0.579 10 0 DCAERN C[C@@H](CNC(=O)Cc1c[nH]c2ncccc12)N1CCOCC1 ZINC000155822557 524658253 /nfs/dbraw/zinc/65/82/53/524658253.db2.gz QCQVKHITQVHATQ-LBPRGKRZSA-N 0 0 302.378 0.942 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)NC[C@H]3CC(C(N)=O)=NO3)cc21 ZINC000189848583 524953730 /nfs/dbraw/zinc/95/37/30/524953730.db2.gz HBDNGIUGRHXFNQ-SECBINFHSA-N 0 0 318.308 0.975 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@H](C)O1 ZINC000249784949 525044640 /nfs/dbraw/zinc/04/46/40/525044640.db2.gz MADSKOBIBIKRAX-OFTGVCEQSA-N 0 0 304.412 0.498 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)ccc1F ZINC000159175801 525399519 /nfs/dbraw/zinc/39/95/19/525399519.db2.gz JEPACHCWQCLELU-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN Cc1ccccc1[C@H](C)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000120478108 525408004 /nfs/dbraw/zinc/40/80/04/525408004.db2.gz ZOYHVKLGRCRKAN-NSHDSACASA-N 0 0 322.390 0.716 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1F ZINC000159170653 525547614 /nfs/dbraw/zinc/54/76/14/525547614.db2.gz KWMQWANRFZWBSA-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246214159 526167692 /nfs/dbraw/zinc/16/76/92/526167692.db2.gz XTHNWSNYEFZDHB-VXGBXAGGSA-N 0 0 307.398 0.137 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCC(N(C)c2cccnn2)CC1 ZINC000189139540 526189391 /nfs/dbraw/zinc/18/93/91/526189391.db2.gz NAQLFHJBXKVKSJ-NSHDSACASA-N 0 0 302.386 0.662 10 0 DCAERN COc1cccc(OC)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000157998604 526221347 /nfs/dbraw/zinc/22/13/47/526221347.db2.gz HZXQZVQFIKUHDK-GFCCVEGCSA-N 0 0 308.378 0.693 10 0 DCAERN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CC(n2ccnn2)C1 ZINC000364724164 526458832 /nfs/dbraw/zinc/45/88/32/526458832.db2.gz VVINGEKVVYKPNN-AWEZNQCLSA-N 0 0 315.308 0.994 10 0 DCAERN CC(C)(C)c1nc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)no1 ZINC000299739360 526870218 /nfs/dbraw/zinc/87/02/18/526870218.db2.gz NQBGZKHLDXYVNH-VIFPVBQESA-N 0 0 319.369 0.899 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000127419740 526889881 /nfs/dbraw/zinc/88/98/81/526889881.db2.gz LWULWQHYVOIILI-CYBMUJFWSA-N 0 0 315.377 0.957 10 0 DCAERN O=C(c1nc(Br)cs1)N1CCNC(=O)CC1 ZINC000188841719 526915539 /nfs/dbraw/zinc/91/55/39/526915539.db2.gz DOFKMPIBXYMOIM-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[nH]1 ZINC000156721529 526988115 /nfs/dbraw/zinc/98/81/15/526988115.db2.gz HJPKFSGTVMOEFD-PWSUYJOCSA-N 0 0 300.322 0.666 10 0 DCAERN NC(=O)[C@H](NC(=O)NCCCn1ccnn1)c1ccc(F)cc1 ZINC000154509639 526995729 /nfs/dbraw/zinc/99/57/29/526995729.db2.gz DOUAFUZWBQVORK-GFCCVEGCSA-N 0 0 320.328 0.333 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266992600 527027327 /nfs/dbraw/zinc/02/73/27/527027327.db2.gz CSGNEHURKRKUQG-VIFPVBQESA-N 0 0 310.663 0.732 10 0 DCAERN NC(=O)c1ccc(C(=O)NC[C@@]2(O)CCc3ccccc32)cn1 ZINC000158405789 527041418 /nfs/dbraw/zinc/04/14/18/527041418.db2.gz MDLYZPDIJXBSOM-KRWDZBQOSA-N 0 0 311.341 0.744 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)[C@H]1CC(c2cccnc2)=NO1 ZINC000189104138 527042343 /nfs/dbraw/zinc/04/23/43/527042343.db2.gz UGGNKYVJPWTYCT-WCQYABFASA-N 0 0 312.333 0.817 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccc1)C(=O)N1CCC[C@H]1CO ZINC000189923926 527093948 /nfs/dbraw/zinc/09/39/48/527093948.db2.gz UUJFGYSCUVQGBH-LBPRGKRZSA-N 0 0 314.345 0.999 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCc2cc(Cl)ccc2C1 ZINC000191485866 527137394 /nfs/dbraw/zinc/13/73/94/527137394.db2.gz AOXCUNBQTIARTL-NSHDSACASA-N 0 0 307.737 0.823 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(c2cccc(F)c2)CC1 ZINC000156258040 527137848 /nfs/dbraw/zinc/13/78/48/527137848.db2.gz NTLDUPJWNPZIST-NSHDSACASA-N 0 0 305.309 0.572 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000330867657 527153530 /nfs/dbraw/zinc/15/35/30/527153530.db2.gz YDHPXAASVBHVNH-MRXNPFEDSA-N 0 0 308.353 0.924 10 0 DCAERN O=C(Nc1ccc(F)c(F)c1F)C(=O)N1CCNC(=O)CC1 ZINC000133735792 527197045 /nfs/dbraw/zinc/19/70/45/527197045.db2.gz JLEAFNKILKOREJ-UHFFFAOYSA-N 0 0 315.251 0.391 10 0 DCAERN O=S(=O)(Cc1ccccc1F)N[C@H]1CCc2ncnn2C1 ZINC000113298769 527198843 /nfs/dbraw/zinc/19/88/43/527198843.db2.gz FZNYTEJYFMSTBD-NSHDSACASA-N 0 0 310.354 0.852 10 0 DCAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@@H](CO)C1 ZINC000158003796 527263634 /nfs/dbraw/zinc/26/36/34/527263634.db2.gz FKWAUVLMMZWTHQ-SECBINFHSA-N 0 0 315.782 0.991 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000187718745 527361083 /nfs/dbraw/zinc/36/10/83/527361083.db2.gz CRYMQKJGHSJVST-CYBMUJFWSA-N 0 0 319.405 0.826 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)NC1C2CC3CC(C2)CC1C3 ZINC000120755008 527374371 /nfs/dbraw/zinc/37/43/71/527374371.db2.gz ALQRYAHZDUWFTK-UHFFFAOYSA-N 0 0 303.362 0.478 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCOC[C@@H](O)C2)c1 ZINC000295657629 527377942 /nfs/dbraw/zinc/37/79/42/527377942.db2.gz QOEGYFQTEKPPNG-GJZGRUSLSA-N 0 0 309.362 0.322 10 0 DCAERN Cn1ncc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1-n1cccc1 ZINC000186094541 527565780 /nfs/dbraw/zinc/56/57/80/527565780.db2.gz MHRJLVZSTNWOCI-INIZCTEOSA-N 0 0 316.361 0.842 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188324453 527636647 /nfs/dbraw/zinc/63/66/47/527636647.db2.gz OSAULQUUIRBGPV-UHFFFAOYSA-N 0 0 312.333 0.598 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157407494 527643288 /nfs/dbraw/zinc/64/32/88/527643288.db2.gz WXBVNMQXNSIVQM-IMSIIYSGSA-N 0 0 322.409 0.317 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000178898085 527715049 /nfs/dbraw/zinc/71/50/49/527715049.db2.gz RCSAUJITMSSMIO-LBPRGKRZSA-N 0 0 323.397 0.509 10 0 DCAERN CC(C)[C@H](O)CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000158422708 527719156 /nfs/dbraw/zinc/71/91/56/527719156.db2.gz APFNTNZVGYFUFD-NWDGAFQWSA-N 0 0 300.424 0.821 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000171488629 527901170 /nfs/dbraw/zinc/90/11/70/527901170.db2.gz OJXDAACBUXFIJF-QWHCGFSZSA-N 0 0 309.410 0.762 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1S(=O)(=O)CCCCOC ZINC000189215783 527926627 /nfs/dbraw/zinc/92/66/27/527926627.db2.gz JMWBGLYYZVJJQI-ZDUSSCGKSA-N 0 0 306.428 0.733 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCc2sccc2C1 ZINC000172321734 528862600 /nfs/dbraw/zinc/86/26/00/528862600.db2.gz LGPADNAOQIQECZ-UHFFFAOYSA-N 0 0 307.375 0.963 10 0 DCAERN CC(=O)c1cn(C[C@H](O)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000278503064 534934849 /nfs/dbraw/zinc/93/48/49/534934849.db2.gz DAGFZDNAOQHISF-ZDUSSCGKSA-N 0 0 306.293 0.622 10 0 DCAERN CCc1cccc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000121831056 535870303 /nfs/dbraw/zinc/87/03/03/535870303.db2.gz OIPQSZAYNJSXSV-UHFFFAOYSA-N 0 0 311.407 0.139 10 0 DCAERN CCc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000457779014 536183374 /nfs/dbraw/zinc/18/33/74/536183374.db2.gz QSUFWPWMIIQMJJ-SNVBAGLBSA-N 0 0 309.395 0.762 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC000449824452 536781516 /nfs/dbraw/zinc/78/15/16/536781516.db2.gz DVMUXMKMZWSQFO-NSHDSACASA-N 0 0 315.333 0.688 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000457669578 536880888 /nfs/dbraw/zinc/88/08/88/536880888.db2.gz XNIULDRJFCTIOQ-STQMWFEESA-N 0 0 320.345 0.544 10 0 DCAERN COCCNC(=O)CNC(=O)c1coc(Br)c1 ZINC000074405889 545669221 /nfs/dbraw/zinc/66/92/21/545669221.db2.gz ZHQIMLUEJCRCKS-UHFFFAOYSA-N 0 0 305.128 0.535 10 0 DCAERN CC(C)(CNC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccncc1 ZINC000092508630 545721933 /nfs/dbraw/zinc/72/19/33/545721933.db2.gz VIFSSTUGLYWXAY-UHFFFAOYSA-N 0 0 318.377 0.806 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179413444 545898958 /nfs/dbraw/zinc/89/89/58/545898958.db2.gz UXZVKXDQDYQGSH-NWDGAFQWSA-N 0 0 316.361 0.944 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC1CCC(CO)CC1 ZINC000181015669 545902636 /nfs/dbraw/zinc/90/26/36/545902636.db2.gz FUGVIYUERFZVKA-UHFFFAOYSA-N 0 0 303.362 0.997 10 0 DCAERN CCO[C@H]1C[C@](O)(CNC(=O)NCC2(C)COC2)C1(C)C ZINC000190683333 545925229 /nfs/dbraw/zinc/92/52/29/545925229.db2.gz IYTZPJCIAUMCQM-NHYWBVRUSA-N 0 0 300.399 0.888 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000191757325 545927255 /nfs/dbraw/zinc/92/72/55/545927255.db2.gz AGKICSBWXBEBME-NSHDSACASA-N 0 0 314.345 0.134 10 0 DCAERN COC[C@]1(CNS(=O)(=O)Cc2cc(C)on2)CCC[NH2+]1 ZINC000312424613 546023263 /nfs/dbraw/zinc/02/32/63/546023263.db2.gz KWUACCVFYKGIEH-GFCCVEGCSA-N 0 0 303.384 0.171 10 0 DCAERN Cc1c(C(=O)N2CC3(C2)CCCOC3)nnn1-c1ccn(C)n1 ZINC000329125276 546043688 /nfs/dbraw/zinc/04/36/88/546043688.db2.gz XYXUAIBOHXKUKB-UHFFFAOYSA-N 0 0 316.365 0.562 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@@H](C)C1=O ZINC000329597820 546051713 /nfs/dbraw/zinc/05/17/13/546051713.db2.gz WHBJXOHEGZCXRK-BYNSBNAKSA-N 0 0 324.421 0.753 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C)n(C)n2)C1 ZINC000330229208 546057023 /nfs/dbraw/zinc/05/70/23/546057023.db2.gz VSHWUOQYYLLMHW-GHMZBOCLSA-N 0 0 320.353 1.414 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000332828481 546062133 /nfs/dbraw/zinc/06/21/33/546062133.db2.gz NULRVIPPXSEZFY-QWRGUYRKSA-N 0 0 322.394 0.906 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000332828482 546062988 /nfs/dbraw/zinc/06/29/88/546062988.db2.gz NULRVIPPXSEZFY-WDEREUQCSA-N 0 0 322.394 0.906 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000332876815 546064356 /nfs/dbraw/zinc/06/43/56/546064356.db2.gz KMJMMDHOGXTVBF-RYUDHWBXSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000332885877 546064960 /nfs/dbraw/zinc/06/49/60/546064960.db2.gz GQPZZTUAWNURNF-KBPBESRZSA-N 0 0 307.398 0.388 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)NCC1(N2CCOCC2)CC1 ZINC000333181509 546073745 /nfs/dbraw/zinc/07/37/45/546073745.db2.gz SMCVNMDXGMOBDD-KBPBESRZSA-N 0 0 311.426 0.702 10 0 DCAERN C[C@@]12CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333564733 546084544 /nfs/dbraw/zinc/08/45/44/546084544.db2.gz XCGDIWSCRAQJRK-JBBSTSQOSA-N 0 0 303.362 0.844 10 0 DCAERN C[C@H]([C@H](C)O)N1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000446807308 546258363 /nfs/dbraw/zinc/25/83/63/546258363.db2.gz AAPXPYMFVWOVFO-OLBFVZFUSA-N 0 0 305.334 0.322 10 0 DCAERN O=S(=O)(c1cccnc1Cl)N1CCC[C@](O)(CO)C1 ZINC000314351392 660820021 /nfs/dbraw/zinc/82/00/21/660820021.db2.gz IDDKYQJEEGYODO-LLVKDONJSA-N 0 0 306.771 0.243 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722334280 660847818 /nfs/dbraw/zinc/84/78/18/660847818.db2.gz PQWCEEGKURCAFY-VXGBXAGGSA-N 0 0 305.396 0.817 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000260911218 661163337 /nfs/dbraw/zinc/16/33/37/661163337.db2.gz SRTLHRXLTQPCAC-SECBINFHSA-N 0 0 307.368 0.584 10 0 DCAERN CC(C)[C@@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069043752 665462565 /nfs/dbraw/zinc/46/25/65/665462565.db2.gz JKPQVOFABHDTLF-GFCCVEGCSA-N 0 0 319.471 0.839 10 0 DCAERN COC(=O)CCCCNC(=O)N1CCC2(CC1)OCCO2 ZINC000069245779 665492442 /nfs/dbraw/zinc/49/24/42/665492442.db2.gz LLIHWPWRAFAXIV-UHFFFAOYSA-N 0 0 300.355 0.878 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC(=O)N(C)C ZINC000255151490 657835595 /nfs/dbraw/zinc/83/55/95/657835595.db2.gz UPWCSXRLLVBTQM-LLVKDONJSA-N 0 0 307.398 0.235 10 0 DCAERN NC(=O)NC(=O)COC(=O)c1cc(N)ccc1Br ZINC000045625832 657945148 /nfs/dbraw/zinc/94/51/48/657945148.db2.gz CMAXZGZCKZDPQB-UHFFFAOYSA-N 0 0 316.111 0.383 10 0 DCAERN O=S(=O)(c1cccc2cnccc21)N1CCOC[C@H]1CO ZINC000168675279 657964095 /nfs/dbraw/zinc/96/40/95/657964095.db2.gz NEXSUBXMSLPOCX-GFCCVEGCSA-N 0 0 308.359 0.617 10 0 DCAERN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN(C)[C@@H](C)CO)c1 ZINC000255585533 657971797 /nfs/dbraw/zinc/97/17/97/657971797.db2.gz IVYUWVIXOARTDK-AWEZNQCLSA-N 0 0 316.405 0.913 10 0 DCAERN CO[C@H]1CC[C@H]1N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000724182704 658037010 /nfs/dbraw/zinc/03/70/10/658037010.db2.gz KAXPFHBPFNVOAI-ZJUUUORDSA-N 0 0 318.420 0.574 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725058369 658090227 /nfs/dbraw/zinc/09/02/27/658090227.db2.gz GZNXMMQHIMEDQT-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN(C)CCc2ncc(C)s2)C1 ZINC000181391307 665569338 /nfs/dbraw/zinc/56/93/38/665569338.db2.gz SFEMODPAPJCOEX-LLVKDONJSA-N 0 0 311.407 0.905 10 0 DCAERN Cc1nc2c([nH]1)C[C@H](C(=O)Nc1nc(CC(N)=O)cs1)CC2 ZINC000220612170 658543996 /nfs/dbraw/zinc/54/39/96/658543996.db2.gz SBQYWJNTNNQLMU-MRVPVSSYSA-N 0 0 319.390 0.946 10 0 DCAERN Cn1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000722744716 658552312 /nfs/dbraw/zinc/55/23/12/658552312.db2.gz FLGWPIOXEZWBNR-MRVPVSSYSA-N 0 0 301.188 0.751 10 0 DCAERN COC[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000255519017 658572156 /nfs/dbraw/zinc/57/21/56/658572156.db2.gz MKBMRVRWRPBTGW-DGMVEKRQSA-N 0 0 308.334 0.065 10 0 DCAERN COCCOC[C@H](O)CN1CCS[C@H](C(F)(F)F)C1 ZINC000721413392 658603540 /nfs/dbraw/zinc/60/35/40/658603540.db2.gz UGEPTVSJPPSTNV-ZJUUUORDSA-N 0 0 303.346 0.990 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000723352058 658640213 /nfs/dbraw/zinc/64/02/13/658640213.db2.gz IHPKSRMSKMTYKG-VIFPVBQESA-N 0 0 317.798 0.800 10 0 DCAERN CN1C[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1=O ZINC000723350825 658641811 /nfs/dbraw/zinc/64/18/11/658641811.db2.gz FZBSNXAVIVDZMO-SSDOTTSWSA-N 0 0 321.761 0.631 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2nccn3ccnc23)c1 ZINC000888077134 658717237 /nfs/dbraw/zinc/71/72/37/658717237.db2.gz MNPSKKTWWFNOBA-DMDPSCGWSA-N 0 0 312.333 0.339 10 0 DCAERN CCS(=O)(=O)NCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255555900 658719706 /nfs/dbraw/zinc/71/97/06/658719706.db2.gz JKBMFZQFOYCATB-FLIBITNWSA-N 0 0 318.420 0.516 10 0 DCAERN CCn1ccnc1C(=O)N(C)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078513 658726793 /nfs/dbraw/zinc/72/67/93/658726793.db2.gz YBYCUFPRAGLXNO-QWHCGFSZSA-N 0 0 319.365 0.555 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)C(C)C ZINC000178692956 658751768 /nfs/dbraw/zinc/75/17/68/658751768.db2.gz QGDILEUVACJIAF-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)COCC(C)C ZINC000356527148 665608658 /nfs/dbraw/zinc/60/86/58/665608658.db2.gz FMICOTMZAGYCPD-NWDGAFQWSA-N 0 0 304.412 0.058 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000240718880 665629235 /nfs/dbraw/zinc/62/92/35/665629235.db2.gz AOLDFQURRDDZEA-UHFFFAOYSA-N 0 0 318.380 0.000 10 0 DCAERN O=CN1CCC(OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000181904027 659086042 /nfs/dbraw/zinc/08/60/42/659086042.db2.gz XXKNMQOTSKKKQL-SECBINFHSA-N 0 0 322.283 0.561 10 0 DCAERN Cc1nnc([C@H]2CN(CCS(=O)(=O)C(C)C)CCO2)[nH]1 ZINC000178234372 659237776 /nfs/dbraw/zinc/23/77/76/659237776.db2.gz DLBZAGCIQNFXBH-LLVKDONJSA-N 0 0 302.400 0.310 10 0 DCAERN Cn1cc(/C=C/C(=O)OCC2(C)CCOCC2)c(=O)n(C)c1=O ZINC000185553989 659251412 /nfs/dbraw/zinc/25/14/12/659251412.db2.gz DFXCXQJIDGWVHC-SNAWJCMRSA-N 0 0 322.361 0.457 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(OC)s2)C[C@@H]1C ZINC000312572577 659364879 /nfs/dbraw/zinc/36/48/79/659364879.db2.gz OQHWUOKFJGIUAD-JGVFFNPUSA-N 0 0 320.392 0.581 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181784909 665670581 /nfs/dbraw/zinc/67/05/81/665670581.db2.gz YCTAQCPCHGPYBV-UHFFFAOYSA-N 0 0 322.756 0.780 10 0 DCAERN C[C@@H](CNC(=O)c1cccn1Cc1ccccc1)S(N)(=O)=O ZINC000398425946 659543654 /nfs/dbraw/zinc/54/36/54/659543654.db2.gz QQARDTILRWTZOV-LBPRGKRZSA-N 0 0 321.402 0.943 10 0 DCAERN CCOC(=O)CNC(=O)[C@@H]1CN(C(C)=O)Cc2cccnc21 ZINC000222663361 661625968 /nfs/dbraw/zinc/62/59/68/661625968.db2.gz HONUGABJODIMPC-GFCCVEGCSA-N 0 0 305.334 0.207 10 0 DCAERN O=C(NCC1(CO)COC1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000123149057 665787588 /nfs/dbraw/zinc/78/75/88/665787588.db2.gz ULVDMFKRLPVEND-ZIAGYGMSSA-N 0 0 306.362 0.825 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCCn3nccc32)ccc1F ZINC000727105115 662138336 /nfs/dbraw/zinc/13/83/36/662138336.db2.gz KYCLINHBYCJSML-UHFFFAOYSA-N 0 0 324.337 0.720 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Oc1cc(C(N)=O)ccc1C ZINC000728842329 662472359 /nfs/dbraw/zinc/47/23/59/662472359.db2.gz MEPJXNRIFVNRMT-NSHDSACASA-N 0 0 308.359 0.921 10 0 DCAERN O=C(c1ccccn1)N1CCN(CN2CCOC2=S)CC1 ZINC000026635236 662756600 /nfs/dbraw/zinc/75/66/00/662756600.db2.gz SZVMWAVVBQWDIZ-UHFFFAOYSA-N 0 0 306.391 0.414 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(C)C ZINC000179127717 662770753 /nfs/dbraw/zinc/77/07/53/662770753.db2.gz RNGXYWKMLUMOHR-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN Cc1occc1C(=O)NCC(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729703013 662907778 /nfs/dbraw/zinc/90/77/78/662907778.db2.gz CBBYMGJJLWRFJT-ZDUSSCGKSA-N 0 0 310.350 0.974 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000344884256 663079681 /nfs/dbraw/zinc/07/96/81/663079681.db2.gz NNTIOZZDUFPCAR-VHSXEESVSA-N 0 0 300.380 0.370 10 0 DCAERN CN1C[C@@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074821 663123044 /nfs/dbraw/zinc/12/30/44/663123044.db2.gz NDEQJQLYBYBFQM-NWDGAFQWSA-N 0 0 303.366 0.407 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000900608805 663260682 /nfs/dbraw/zinc/26/06/82/663260682.db2.gz XQUBFLRELAAJIF-LBPRGKRZSA-N 0 0 300.362 0.733 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC000436189639 663431187 /nfs/dbraw/zinc/43/11/87/663431187.db2.gz UVPLNCOJIVWHEN-SCZZXKLOSA-N 0 0 303.322 0.029 10 0 DCAERN Cc1nc2c(nccc2C(=O)N[C@@H](C)CCS(C)(=O)=O)[nH]1 ZINC000436169046 663431757 /nfs/dbraw/zinc/43/17/57/663431757.db2.gz KPDWBKJRPFSVLA-QMMMGPOBSA-N 0 0 310.379 0.819 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)[S@@](=O)C[C@@H](O)CO ZINC000905185461 663537094 /nfs/dbraw/zinc/53/70/94/663537094.db2.gz YWTBGJPFGOPHOD-MGOULQTBSA-N 0 0 311.403 0.062 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909171371 663785552 /nfs/dbraw/zinc/78/55/52/663785552.db2.gz MNUVZWAKFSRNPJ-ASEORRQLSA-N 0 0 302.334 0.536 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnc2n1CCCCC2 ZINC000909189375 663785925 /nfs/dbraw/zinc/78/59/25/663785925.db2.gz IPCZTLCAOJMUBG-UXIGCNINSA-N 0 0 315.377 0.910 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@H]1C(F)(F)F ZINC000913019699 664257029 /nfs/dbraw/zinc/25/70/29/664257029.db2.gz HGSOPRGRADGHDK-VIFPVBQESA-N 0 0 307.272 0.510 10 0 DCAERN O=C1NC2(CCCCCC2)C(=O)N1CN1CCNC(=O)CC1 ZINC000044781095 664371045 /nfs/dbraw/zinc/37/10/45/664371045.db2.gz HQQXOUNKYOLZDD-UHFFFAOYSA-N 0 0 308.382 0.411 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cc(N)ccc2C)C1 ZINC000165779212 664427812 /nfs/dbraw/zinc/42/78/12/664427812.db2.gz SAZHCVIJYZKCRI-ZDUSSCGKSA-N 0 0 313.423 0.576 10 0 DCAERN Cc1cccc(F)c1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000225030584 664464254 /nfs/dbraw/zinc/46/42/54/664464254.db2.gz BAPJJLAJSKDXDJ-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN CC(C)OCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000046280370 664501574 /nfs/dbraw/zinc/50/15/74/664501574.db2.gz YCMDECIAPHMYGU-UHFFFAOYSA-N 0 0 306.318 0.658 10 0 DCAERN CCCc1nsc(NCC[C@H]2CNCCS2(=O)=O)n1 ZINC000721725724 664506608 /nfs/dbraw/zinc/50/66/08/664506608.db2.gz ONZMBAVJWSYZAT-VIFPVBQESA-N 0 0 304.441 0.679 10 0 DCAERN CCOc1nccnc1NCC[C@H]1CNCCS1(=O)=O ZINC000721734197 664522042 /nfs/dbraw/zinc/52/20/42/664522042.db2.gz NIOOETWQHWQXFV-JTQLQIEISA-N 0 0 300.384 0.064 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1F ZINC000168647539 664527876 /nfs/dbraw/zinc/52/78/76/664527876.db2.gz ISCSTDMATROVGV-VIFPVBQESA-N 0 0 305.327 0.216 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C(=O)OC)C2)nc1C ZINC000228800962 664577282 /nfs/dbraw/zinc/57/72/82/664577282.db2.gz ASZOBARUFRWLEL-ONGXEEELSA-N 0 0 315.395 0.641 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)OCc1nnnn1-c1ccccc1 ZINC000061135348 664591827 /nfs/dbraw/zinc/59/18/27/664591827.db2.gz VAUISCWSALNAEP-ZDUSSCGKSA-N 0 0 315.333 0.716 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCN(c3cccnn3)CC2)CCO1 ZINC000171548077 664610106 /nfs/dbraw/zinc/61/01/06/664610106.db2.gz OHIGWISGCDMRRM-CQSZACIVSA-N 0 0 319.409 0.236 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C(C)C ZINC000171767951 664612581 /nfs/dbraw/zinc/61/25/81/664612581.db2.gz NQSIGJIKTWJISG-LBPRGKRZSA-N 0 0 305.444 0.904 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000172607909 664623551 /nfs/dbraw/zinc/62/35/51/664623551.db2.gz HLJUBDUWAFEUSY-STQMWFEESA-N 0 0 307.350 0.631 10 0 DCAERN O=C1c2ccccc2C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000172962499 664626284 /nfs/dbraw/zinc/62/62/84/664626284.db2.gz QTARNKUMBWFQQQ-ZDUSSCGKSA-N 0 0 315.373 0.647 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000173540897 664629929 /nfs/dbraw/zinc/62/99/29/664629929.db2.gz JWJBVEAJERNFCU-VXGBXAGGSA-N 0 0 306.428 0.878 10 0 DCAERN CN(C[C@@H]1CCCO1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000173895781 664633344 /nfs/dbraw/zinc/63/33/44/664633344.db2.gz UHFDRFMVOQXQNJ-KBPBESRZSA-N 0 0 320.393 0.406 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ncccn1 ZINC000730309546 664682882 /nfs/dbraw/zinc/68/28/82/664682882.db2.gz IJYZBHGVOULMKU-SCZZXKLOSA-N 0 0 324.362 0.268 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](C)Cn1ccnc1C ZINC000741083051 664705822 /nfs/dbraw/zinc/70/58/22/664705822.db2.gz RSTPAVQTJBBGMV-PRWKNARSSA-N 0 0 300.428 0.895 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCC[C@H]1O ZINC000089162835 664726714 /nfs/dbraw/zinc/72/67/14/664726714.db2.gz WLRWWNKMZDDQOP-HBNTYKKESA-N 0 0 307.437 0.184 10 0 DCAERN CCn1cc(C2CCN(CN3C(=O)C(=O)N(C)C3=O)CC2)cn1 ZINC000152167213 664738030 /nfs/dbraw/zinc/73/80/30/664738030.db2.gz OEADQXORHXZYNW-UHFFFAOYSA-N 0 0 319.365 0.461 10 0 DCAERN CCN1C(=O)CN(CN2CCO[C@H](c3nccs3)C2)C1=O ZINC000152240583 664741676 /nfs/dbraw/zinc/74/16/76/664741676.db2.gz BUBORPYRNCWPBB-JTQLQIEISA-N 0 0 310.379 0.758 10 0 DCAERN C[C@H](OC(=O)Cn1ncc2ccccc21)C(=O)N1CCNC1=O ZINC000730636611 664798838 /nfs/dbraw/zinc/79/88/38/664798838.db2.gz KDCADXKDOSAKRW-JTQLQIEISA-N 0 0 316.317 0.520 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000730771376 664805821 /nfs/dbraw/zinc/80/58/21/664805821.db2.gz NMINLPHJYOKBTM-LLVKDONJSA-N 0 0 302.396 0.469 10 0 DCAERN CN(CC1CC1)C(=O)CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810934 664964930 /nfs/dbraw/zinc/96/49/30/664964930.db2.gz LTYYFHIHTIQMRD-NSHDSACASA-N 0 0 321.343 0.950 10 0 DCAERN CCN1CCN(C(=O)Cc2ccn(C)n2)C[C@@H]1c1nccn1C ZINC000328635434 665079338 /nfs/dbraw/zinc/07/93/38/665079338.db2.gz USOXGVLVXXKORR-CQSZACIVSA-N 0 0 316.409 0.602 10 0 DCAERN O=C(NCCCn1ccnn1)NNC(=O)c1cccc(Cl)c1 ZINC000183545131 666067719 /nfs/dbraw/zinc/06/77/19/666067719.db2.gz JXCDLMSPVDJTCI-UHFFFAOYSA-N 0 0 322.756 0.966 10 0 DCAERN Cn1cc(NC(=O)NNC(=O)c2ccc(Cl)nc2)ccc1=O ZINC000184544553 666229251 /nfs/dbraw/zinc/22/92/51/666229251.db2.gz CUWSGXAHAFCKNG-UHFFFAOYSA-N 0 0 321.724 0.900 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](CCO)CC1 ZINC000422058665 666275813 /nfs/dbraw/zinc/27/58/13/666275813.db2.gz QKPJDHQPHBLVOS-CHWSQXEVSA-N 0 0 300.424 0.919 10 0 DCAERN CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCC([C@H](C)O)CC2)C1 ZINC000184874512 666297152 /nfs/dbraw/zinc/29/71/52/666297152.db2.gz MOUFQAKGYZATSS-LRDDRELGSA-N 0 0 312.410 0.838 10 0 DCAERN Cn1nccc1CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000185018229 666321607 /nfs/dbraw/zinc/32/16/07/666321607.db2.gz ATCQESKSPPDZKB-AWEZNQCLSA-N 0 0 318.381 0.270 10 0 DCAERN O=C(Cc1ccoc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000185106384 666334359 /nfs/dbraw/zinc/33/43/59/666334359.db2.gz QJDLQDVOGDSFEQ-ZFWWWQNUSA-N 0 0 320.301 0.941 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000073004030 666539681 /nfs/dbraw/zinc/53/96/81/666539681.db2.gz GETZMKDIEVLWOV-INIZCTEOSA-N 0 0 317.389 0.166 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 ZINC000186636910 666563280 /nfs/dbraw/zinc/56/32/80/666563280.db2.gz VMPWVVLJBRSKIL-CYBMUJFWSA-N 0 0 314.297 0.776 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCNC(=O)C1CCC1 ZINC000360883686 666592682 /nfs/dbraw/zinc/59/26/82/666592682.db2.gz KVARWSJAAUGAKO-GFCCVEGCSA-N 0 0 313.423 0.330 10 0 DCAERN CN1CCOC[C@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000700239117 666696173 /nfs/dbraw/zinc/69/61/73/666696173.db2.gz VMYHQYLEZXMUSU-MRVPVSSYSA-N 0 0 323.777 0.483 10 0 DCAERN O=C(Cn1ncc2ccccc21)OCCCN1C(=O)CNC1=O ZINC000733491639 666749670 /nfs/dbraw/zinc/74/96/70/666749670.db2.gz NHUAMPDHLBPQQE-UHFFFAOYSA-N 0 0 316.317 0.521 10 0 DCAERN O=C(c1cc(Br)cnc1F)N1CCO[C@@H](CO)C1 ZINC000700849648 666774227 /nfs/dbraw/zinc/77/42/27/666774227.db2.gz VLUXEEWASHEHHP-MRVPVSSYSA-N 0 0 319.130 0.817 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000733881176 666823460 /nfs/dbraw/zinc/82/34/60/666823460.db2.gz CIQCZQSBHARQAG-OAQYLSRUSA-N 0 0 307.375 0.281 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000733882118 666823714 /nfs/dbraw/zinc/82/37/14/666823714.db2.gz KJEWBMXMWGUMEJ-JOCHJYFZSA-N 0 0 321.402 0.590 10 0 DCAERN CC[S@](=O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000733958791 666832229 /nfs/dbraw/zinc/83/22/29/666832229.db2.gz CPLCANXYXJEENP-QFIPXVFZSA-N 0 0 324.406 0.479 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000733958790 666832343 /nfs/dbraw/zinc/83/23/43/666832343.db2.gz CPLCANXYXJEENP-JOCHJYFZSA-N 0 0 324.406 0.479 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)NCC[S@@](=O)CC ZINC000733963112 666832698 /nfs/dbraw/zinc/83/26/98/666832698.db2.gz UKGUCMPECHAHJV-DGIBIBHMSA-N 0 0 308.469 0.519 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)NCC[S@@](=O)CC)CC1=O ZINC000733964924 666833265 /nfs/dbraw/zinc/83/32/65/666833265.db2.gz WLNZIFZXCDTEDD-ZBUHCNDUSA-N 0 0 302.440 0.908 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000702362563 666946127 /nfs/dbraw/zinc/94/61/27/666946127.db2.gz DWOFUSFZWOFOOU-WMLDXEAASA-N 0 0 319.405 0.769 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(=O)NC1CCCCC1 ZINC000735109283 666947157 /nfs/dbraw/zinc/94/71/57/666947157.db2.gz BHTVCEIVMZRKHK-HXUWFJFHSA-N 0 0 303.428 0.503 10 0 DCAERN CCOC(=O)C1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000735110951 666954666 /nfs/dbraw/zinc/95/46/66/666954666.db2.gz OVFDKYUTMWTSSS-HXUWFJFHSA-N 0 0 304.412 0.740 10 0 DCAERN CO[C@](C)(CO)CNC(=O)c1cccnc1Br ZINC000702517496 666964379 /nfs/dbraw/zinc/96/43/79/666964379.db2.gz LPBIGQMDCWJYBE-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C)ccc1F ZINC000735197609 666966444 /nfs/dbraw/zinc/96/64/44/666966444.db2.gz FFJYLMASKUIBIM-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000735202613 666968494 /nfs/dbraw/zinc/96/84/94/666968494.db2.gz XPAJFNLRZBQJIS-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000735202068 666968503 /nfs/dbraw/zinc/96/85/03/666968503.db2.gz YRLYPYTWAOWVNT-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnc[nH]2)C1 ZINC000702818297 666999407 /nfs/dbraw/zinc/99/94/07/666999407.db2.gz VSZZSTKOFMUZSY-KOLCDFICSA-N 0 0 310.354 0.367 10 0 DCAERN Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702820711 667000406 /nfs/dbraw/zinc/00/04/06/667000406.db2.gz WMJBXOAMBRJQIV-CMPLNLGQSA-N 0 0 324.381 0.676 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)n1 ZINC000703122442 667061073 /nfs/dbraw/zinc/06/10/73/667061073.db2.gz WESYZAJCBMYESQ-SECBINFHSA-N 0 0 317.798 0.807 10 0 DCAERN CC(=O)N[C@H]1CCC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000119343604 667119405 /nfs/dbraw/zinc/11/94/05/667119405.db2.gz GBSOWOUCSQTOAL-HNNXBMFYSA-N 0 0 305.378 0.835 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C)OCC(F)(F)F ZINC000704720383 667253636 /nfs/dbraw/zinc/25/36/36/667253636.db2.gz HQLCTHXKPXGXHL-UHFFFAOYSA-N 0 0 308.278 0.152 10 0 DCAERN C[C@@H]1CN(Cn2nccc2-c2ccncc2)C[C@H](C(N)=O)O1 ZINC000120165624 667274208 /nfs/dbraw/zinc/27/42/08/667274208.db2.gz CBROWTIWIKEDGI-BXUZGUMPSA-N 0 0 301.350 0.477 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H]1C(=O)NC ZINC000120364095 667303461 /nfs/dbraw/zinc/30/34/61/667303461.db2.gz BTGPBDLJIHGNBO-CQSZACIVSA-N 0 0 313.357 0.850 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120379967 667304634 /nfs/dbraw/zinc/30/46/34/667304634.db2.gz UABYLQHDPIMBCO-UONOGXRCSA-N 0 0 308.403 0.628 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)c(C)s1 ZINC000705384646 667306881 /nfs/dbraw/zinc/30/68/81/667306881.db2.gz ANRVQRGAYBXTTB-PHIMTYICSA-N 0 0 305.421 0.586 10 0 DCAERN C[C@H]1CN(c2cnc(Br)cn2)CCS1(=O)=O ZINC000707422979 667438832 /nfs/dbraw/zinc/43/88/32/667438832.db2.gz GKWPKOBJUMVXPF-ZETCQYMHSA-N 0 0 306.185 0.862 10 0 DCAERN Cc1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c(O)c1 ZINC000708261853 667442487 /nfs/dbraw/zinc/44/24/87/667442487.db2.gz DXYRKJMRFZFSQD-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)Cc1ccccc1O ZINC000708266381 667442496 /nfs/dbraw/zinc/44/24/96/667442496.db2.gz VJXMSQLRCPELDQ-UHFFFAOYSA-N 0 0 300.380 0.379 10 0 DCAERN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cn(C)nc1Br ZINC000711684439 667528772 /nfs/dbraw/zinc/52/87/72/667528772.db2.gz XEAARJXPZHQNRL-APPZFPTMSA-N 0 0 322.228 0.705 10 0 DCAERN CO[C@@H]1CN(Cc2ncnn2CC(C)C)C[C@H]1c1cn(C)nn1 ZINC000886071860 667728330 /nfs/dbraw/zinc/72/83/30/667728330.db2.gz FCLNCRTZGGRGQI-GXTWGEPZSA-N 0 0 319.413 0.677 10 0 DCAERN CCOC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000886077647 667729105 /nfs/dbraw/zinc/72/91/05/667729105.db2.gz NHEHJNVBNYWLEC-WFASDCNBSA-N 0 0 320.393 0.577 10 0 DCAERN Cn1cc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccnn2C)cn1 ZINC000886079685 667729579 /nfs/dbraw/zinc/72/95/79/667729579.db2.gz TWLUGYLPEIILBJ-BLLLJJGKSA-N 0 0 317.393 0.980 10 0 DCAERN CCn1nc(C)c(CNC(=O)CN2CCCC[C@H](OC)C2=O)n1 ZINC000886078521 667729783 /nfs/dbraw/zinc/72/97/83/667729783.db2.gz ZIBQNHVAASGERT-ZDUSSCGKSA-N 0 0 323.397 0.250 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CC(c2cc(CO)on2)C1 ZINC000886086598 667730916 /nfs/dbraw/zinc/73/09/16/667730916.db2.gz XKSAGVRXVISZCC-OAHLLOKOSA-N 0 0 316.313 0.933 10 0 DCAERN CCn1ccnc(NC(=O)N2CCC[C@H](n3ccnn3)C2)c1=O ZINC000886093941 667731601 /nfs/dbraw/zinc/73/16/01/667731601.db2.gz KMHUAXBSGAOKTG-NSHDSACASA-N 0 0 317.353 0.724 10 0 DCAERN CC1(C)C(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)C1(C)C ZINC000886096373 667731704 /nfs/dbraw/zinc/73/17/04/667731704.db2.gz CSZWHPJPKMTIEO-KRWDZBQOSA-N 0 0 323.437 0.457 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@@H](O)[C@H](C)O)c1cccs1 ZINC000717377577 667734294 /nfs/dbraw/zinc/73/42/94/667734294.db2.gz CEJHEWWAERKMGF-JMJZKYOTSA-N 0 0 300.380 0.173 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccc(O)c(OC)c1 ZINC000741077174 667758102 /nfs/dbraw/zinc/75/81/02/667758102.db2.gz NMDLCUHQHOFIJV-HXUWFJFHSA-N 0 0 300.380 0.969 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](c1ccco1)N(C)C ZINC000741074434 667758104 /nfs/dbraw/zinc/75/81/04/667758104.db2.gz MATRYJWVFDDZAT-BIBXISHDSA-N 0 0 301.412 0.950 10 0 DCAERN Cc1ccc(OCC(=O)N2CCN(CC[S@](C)=O)CC2)cc1 ZINC000741291131 667766581 /nfs/dbraw/zinc/76/65/81/667766581.db2.gz SCCAIWHDAQJKQU-QFIPXVFZSA-N 0 0 324.446 0.897 10 0 DCAERN CCOC(=O)N1CCCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000741422140 667770844 /nfs/dbraw/zinc/77/08/44/667770844.db2.gz GMZGNFGXVUZOFX-NRFANRHFSA-N 0 0 319.427 0.629 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000741423841 667771080 /nfs/dbraw/zinc/77/10/80/667771080.db2.gz XAISWVBKSSGMEM-BIBXISHDSA-N 0 0 304.412 0.550 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000741424299 667771102 /nfs/dbraw/zinc/77/11/02/667771102.db2.gz KYBMRPZDVAUHPY-LILOVNGRSA-N 0 0 302.318 0.728 10 0 DCAERN N=C1NC(=O)C(CC(=O)N2CCC(c3ncc[nH]3)CC2)S1 ZINC000742598429 667794217 /nfs/dbraw/zinc/79/42/17/667794217.db2.gz AVFDDTDAEPNFFP-VIFPVBQESA-N 0 0 307.379 0.672 10 0 DCAERN Cn1ncnc1N1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000828909925 668140491 /nfs/dbraw/zinc/14/04/91/668140491.db2.gz OTZZSOXSDHAWPF-NSHDSACASA-N 0 0 315.381 0.905 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)c1cc(C(N)=O)cn1C ZINC000125618891 668383859 /nfs/dbraw/zinc/38/38/59/668383859.db2.gz BXSAIQXKEXJZLW-ZDUSSCGKSA-N 0 0 317.345 0.596 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCc2sccc2C1 ZINC000126425565 668580856 /nfs/dbraw/zinc/58/08/56/668580856.db2.gz BAEVVNWMNJBICZ-NSHDSACASA-N 0 0 314.432 0.410 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126446661 668596670 /nfs/dbraw/zinc/59/66/70/668596670.db2.gz CSFUVSRACOHNQE-AAEUAGOBSA-N 0 0 308.403 0.741 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cc(F)cc(F)c1 ZINC000126460108 668599351 /nfs/dbraw/zinc/59/93/51/668599351.db2.gz HCMKBHCWWWJTCA-LLVKDONJSA-N 0 0 304.318 0.680 10 0 DCAERN CCC1(CC)CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000126866241 668672501 /nfs/dbraw/zinc/67/25/01/668672501.db2.gz GHRKGYJGPBCGEF-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN CN1C[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)CCC1=O ZINC000126902926 668682909 /nfs/dbraw/zinc/68/29/09/668682909.db2.gz IDFIHTRSQDULBV-WVDJIFEKSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)O1 ZINC000128120737 669144628 /nfs/dbraw/zinc/14/46/28/669144628.db2.gz JCORQSSGFFBWSJ-QPUJVOFHSA-N 0 0 318.333 0.478 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C/CO)N1Cc1ccccc1 ZINC000880672323 669256702 /nfs/dbraw/zinc/25/67/02/669256702.db2.gz VQKKMLOOQFFFDY-SSBHQGKESA-N 0 0 317.389 0.170 10 0 DCAERN CC1(C)CO[C@H](CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000717151115 669744713 /nfs/dbraw/zinc/74/47/13/669744713.db2.gz SBXDEAJOIJSUSE-MNOVXSKESA-N 0 0 304.412 0.471 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000794017473 669767609 /nfs/dbraw/zinc/76/76/09/669767609.db2.gz WATVTNPQPZLAKK-OAHLLOKOSA-N 0 0 311.349 0.479 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1cccnc1 ZINC000041750476 669824927 /nfs/dbraw/zinc/82/49/27/669824927.db2.gz IPHLQSLHVPESLD-UHFFFAOYSA-N 0 0 311.297 0.828 10 0 DCAERN CCCNC(=O)CNC(=O)NCc1cccnc1-n1ccnc1 ZINC000048066752 669935559 /nfs/dbraw/zinc/93/55/59/669935559.db2.gz RDSSSJNOYPPTCZ-UHFFFAOYSA-N 0 0 316.365 0.593 10 0 DCAERN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000190841112 669936255 /nfs/dbraw/zinc/93/62/55/669936255.db2.gz LXGOLMSEQHTZFW-UTLUCORTSA-N 0 0 311.407 0.734 10 0 DCAERN C[C@@H]1OCC[C@@H]1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187753121 669950799 /nfs/dbraw/zinc/95/07/99/669950799.db2.gz FIJFHNYVWUQYBB-CABZTGNLSA-N 0 0 304.302 0.410 10 0 DCAERN COc1cccc(CNC(=O)N[C@H](C)c2nnnn2C2CC2)n1 ZINC000188031693 669974798 /nfs/dbraw/zinc/97/47/98/669974798.db2.gz UCCPXIRMVDOSGR-SECBINFHSA-N 0 0 317.353 0.972 10 0 DCAERN Cc1cc(C(=O)NCC2(C)OCCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000191538832 670056346 /nfs/dbraw/zinc/05/63/46/670056346.db2.gz YMXFEFJTIGRRCM-UHFFFAOYSA-N 0 0 320.349 0.453 10 0 DCAERN COCCCOC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000078755924 670113286 /nfs/dbraw/zinc/11/32/86/670113286.db2.gz LYWDACIDTAESDR-GXTWGEPZSA-N 0 0 309.366 0.909 10 0 DCAERN CC[C@H]1C(=O)NCCN1CN1Cc2ccc(OC)cc2C1=O ZINC000189735551 670153192 /nfs/dbraw/zinc/15/31/92/670153192.db2.gz JZKJPVKSJHEPSY-AWEZNQCLSA-N 0 0 303.362 0.819 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OCCn2ccccc2=O)n1 ZINC000192425943 670163476 /nfs/dbraw/zinc/16/34/76/670163476.db2.gz UNOOWAPBZKEVPB-UHFFFAOYSA-N 0 0 306.278 0.830 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000713903039 670168903 /nfs/dbraw/zinc/16/89/03/670168903.db2.gz YIWFRBHSNHTFJJ-UHFFFAOYSA-N 0 0 309.413 0.162 10 0 DCAERN CN(CC(=O)NC1CC1)Cc1cn(C)nc1Br ZINC000713862705 670171311 /nfs/dbraw/zinc/17/13/11/670171311.db2.gz YJUIHJGMLQTAEJ-UHFFFAOYSA-N 0 0 301.188 0.893 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1cccc(F)c1Cl ZINC000714288928 670183369 /nfs/dbraw/zinc/18/33/69/670183369.db2.gz FNHSWOFEAGDPMV-UHFFFAOYSA-N 0 0 321.761 0.359 10 0 DCAERN O=S(=O)(NCc1ncc(Br)s1)NC1CC1 ZINC000714657031 670192428 /nfs/dbraw/zinc/19/24/28/670192428.db2.gz KSDHOVFUEASGFC-UHFFFAOYSA-N 0 0 312.214 0.992 10 0 DCAERN CCOC(=O)[C@H](N)C(=O)NCc1ncc(Br)s1 ZINC000714934456 670196889 /nfs/dbraw/zinc/19/68/89/670196889.db2.gz GBSUHSSORMEOQB-SSDOTTSWSA-N 0 0 322.184 0.412 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)c1 ZINC000715982296 670228983 /nfs/dbraw/zinc/22/89/83/670228983.db2.gz DVQPYLGMRDMFDP-NSHDSACASA-N 0 0 315.395 0.867 10 0 DCAERN Cn1nc([C@H]2CC[C@H](C(F)(F)F)NC2)cc1S(N)(=O)=O ZINC000757571899 670280372 /nfs/dbraw/zinc/28/03/72/670280372.db2.gz NHSGBMHSVGNQLT-POYBYMJQSA-N 0 0 312.317 0.465 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)c2coc(Br)c2)C1 ZINC000194076337 670398043 /nfs/dbraw/zinc/39/80/43/670398043.db2.gz UUDPDYCYBPCSTH-LURJTMIESA-N 0 0 316.111 0.402 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 ZINC000194376139 670428308 /nfs/dbraw/zinc/42/83/08/670428308.db2.gz RQIYZGFSUQQYMH-NSHDSACASA-N 0 0 316.352 0.677 10 0 DCAERN CC(=O)[C@H]1CC(C(=O)NC(C)(C)C(N)=O)=NN1c1ccccc1 ZINC000195485333 670495276 /nfs/dbraw/zinc/49/52/76/670495276.db2.gz DYFJCPVRXFVHFA-CYBMUJFWSA-N 0 0 316.361 0.590 10 0 DCAERN CCOc1ccccc1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1 ZINC000818056801 670965260 /nfs/dbraw/zinc/96/52/60/670965260.db2.gz HEYJMRCHISXSDY-ZDUSSCGKSA-N 0 0 315.377 0.773 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2ccc(C(F)(F)F)n2)C1 ZINC000116869879 671132025 /nfs/dbraw/zinc/13/20/25/671132025.db2.gz ULTHLLIIIOIIAJ-MRVPVSSYSA-N 0 0 312.317 0.483 10 0 DCAERN C[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N1CCOCC1 ZINC000116940534 671144821 /nfs/dbraw/zinc/14/48/21/671144821.db2.gz NZTUIGVMJCLDIU-XUSGNXJCSA-N 0 0 319.471 0.554 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1CCOC ZINC000117371841 671198101 /nfs/dbraw/zinc/19/81/01/671198101.db2.gz YCWDSYOSMBQLJB-CYBMUJFWSA-N 0 0 307.460 0.614 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)s1 ZINC000396699368 685271345 /nfs/dbraw/zinc/27/13/45/685271345.db2.gz HPJZKTHQTNWULK-ZETCQYMHSA-N 0 0 305.381 0.099 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)S(N)(=O)=O ZINC000398279390 685274723 /nfs/dbraw/zinc/27/47/23/685274723.db2.gz UVIBBFFRJNKPIU-BYPYZUCNSA-N 0 0 300.167 0.728 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000456517377 685288924 /nfs/dbraw/zinc/28/89/24/685288924.db2.gz KWDYGEBHZIQDJB-VXGBXAGGSA-N 0 0 300.424 0.917 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1)C1CC1 ZINC000718004659 685304733 /nfs/dbraw/zinc/30/47/33/685304733.db2.gz JJZSHBIPAAXTMK-WCQYABFASA-N 0 0 305.440 0.818 10 0 DCAERN CN(CC1CC(O)C1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000519713506 685298283 /nfs/dbraw/zinc/29/82/83/685298283.db2.gz XKQSKXXUKOAYJL-YAWVXEGQSA-N 0 0 322.405 0.290 10 0 DCAERN COC[C@@H](OC)C(=O)NCc1cn(C)nc1Br ZINC000720079909 685312033 /nfs/dbraw/zinc/31/20/33/685312033.db2.gz IXGPYXYZVGJIPS-MRVPVSSYSA-N 0 0 306.160 0.460 10 0 DCAERN CO[C@@]1(CNC(=O)c2cc(Cl)ccn2)CCS(=O)(=O)C1 ZINC000720850020 685316059 /nfs/dbraw/zinc/31/60/59/685316059.db2.gz ZCEFVTYXLYMLMF-GFCCVEGCSA-N 0 0 318.782 0.669 10 0 DCAERN CC(=O)[C@@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000722084230 685319280 /nfs/dbraw/zinc/31/92/80/685319280.db2.gz ZDLHEGSQAUWHEW-VXGBXAGGSA-N 0 0 319.448 0.734 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccccc1OC(F)(F)F ZINC000722500989 685319730 /nfs/dbraw/zinc/31/97/30/685319730.db2.gz AVJLKWIAVZWFTD-SSDOTTSWSA-N 0 0 312.269 0.767 10 0 DCAERN Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CNOC1 ZINC000722499730 685320109 /nfs/dbraw/zinc/32/01/09/685320109.db2.gz CDEPWBAWQGMNCZ-VIFPVBQESA-N 0 0 321.196 0.939 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000068187782 685070646 /nfs/dbraw/zinc/07/06/46/685070646.db2.gz IZEYCXJZIKQTRJ-CQSZACIVSA-N 0 0 323.437 0.960 10 0 DCAERN CNC(=O)Cc1nc(CN2CCCC3(C2)OCCO3)cs1 ZINC000090561432 685103240 /nfs/dbraw/zinc/10/32/40/685103240.db2.gz LWOSRGXSKPQUOU-UHFFFAOYSA-N 0 0 311.407 0.771 10 0 DCAERN CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CCOC1 ZINC000113315050 685115856 /nfs/dbraw/zinc/11/58/56/685115856.db2.gz ZCXQYKLCXAODEC-SECBINFHSA-N 0 0 302.327 0.334 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000141382688 685126499 /nfs/dbraw/zinc/12/64/99/685126499.db2.gz ASPWUGHKEANNJR-UHFFFAOYSA-N 0 0 313.361 0.962 10 0 DCAERN CC[C@@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CCN1CC(F)F ZINC000245694374 685158920 /nfs/dbraw/zinc/15/89/20/685158920.db2.gz BCWSPLUPFPALFO-QWHCGFSZSA-N 0 0 319.396 0.895 10 0 DCAERN CC(C)C[C@H]1NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246869019 685167587 /nfs/dbraw/zinc/16/75/87/685167587.db2.gz GABZZYNUFKXXNF-ZIAGYGMSSA-N 0 0 324.425 0.317 10 0 DCAERN C[C@@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CCS1(=O)=O ZINC000246873326 685167658 /nfs/dbraw/zinc/16/76/58/685167658.db2.gz AMWMMPLHHIYNSK-IJLUTSLNSA-N 0 0 312.391 0.014 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 ZINC000247539328 685171988 /nfs/dbraw/zinc/17/19/88/685171988.db2.gz QNOMNOHMYHVECH-CJNGLKHVSA-N 0 0 309.410 0.966 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCO[C@@H](c3nccs3)C2)CCO1 ZINC000249874833 685184193 /nfs/dbraw/zinc/18/41/93/685184193.db2.gz LKOQCZCNVDHYPF-NWDGAFQWSA-N 0 0 311.407 0.764 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN2CCC[C@@H](NC(C)=O)C2)C1=O ZINC000249947513 685184314 /nfs/dbraw/zinc/18/43/14/685184314.db2.gz ZRLNWLKIOYZNKT-CHWSQXEVSA-N 0 0 310.398 0.655 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000249813846 685184409 /nfs/dbraw/zinc/18/44/09/685184409.db2.gz JNPSZCDCUCQGJX-KKUMJFAQSA-N 0 0 319.405 0.743 10 0 DCAERN COC(=O)c1ncn(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)n1 ZINC000254886808 685188236 /nfs/dbraw/zinc/18/82/36/685188236.db2.gz ZLGBOCKFXMGKGA-SECBINFHSA-N 0 0 318.337 0.293 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285516249 685202513 /nfs/dbraw/zinc/20/25/13/685202513.db2.gz MYNZAOSFVPGWLR-GRDNDAEWSA-N 0 0 302.374 0.937 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cnn(C)c1Br ZINC000379088885 685234567 /nfs/dbraw/zinc/23/45/67/685234567.db2.gz GSSIYQWTCKUELK-MRXNPFEDSA-N 0 0 308.201 0.681 10 0 DCAERN COCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000381962713 685239786 /nfs/dbraw/zinc/23/97/86/685239786.db2.gz HOWOOBDEWUBSFG-CVEARBPZSA-N 0 0 321.421 0.367 10 0 DCAERN Cn1ncc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1Br ZINC000386584192 685250252 /nfs/dbraw/zinc/25/02/52/685250252.db2.gz BCSCGZUPZNAGAB-SSDOTTSWSA-N 0 0 315.171 0.533 10 0 DCAERN Cn1cc(Br)c(CNC(=O)N[C@H]2CCOC2)n1 ZINC000393651117 1157815742 /nfs/dbraw/zinc/81/57/42/1157815742.db2.gz OVNBXHUDWXOBBX-ZETCQYMHSA-N 0 0 303.160 0.771 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC2([S@](C)=O)CC2)on1 ZINC000380073724 1157997321 /nfs/dbraw/zinc/99/73/21/1157997321.db2.gz PHWISYGVVMUWML-FQEVSTJZSA-N 0 0 300.336 0.492 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccoc3)CC2)on1 ZINC000027584179 1171413318 /nfs/dbraw/zinc/41/33/18/1171413318.db2.gz QXAQOHTXAVDFTG-UHFFFAOYSA-N 0 0 318.333 0.973 10 0 DCAERN CCOC(=O)CN(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000057372940 1171936438 /nfs/dbraw/zinc/93/64/38/1171936438.db2.gz QKPSSSDPRIQXHN-UHFFFAOYSA-N 0 0 302.334 0.985 10 0 DCAERN CC(C)C[C@H](NS(=O)(=O)NC(C)C)C(=O)N1CCOCC1 ZINC000062435369 1172984306 /nfs/dbraw/zinc/98/43/06/1172984306.db2.gz NNLDUDUDMMZDSQ-LBPRGKRZSA-N 0 0 321.443 0.092 10 0 DCAERN Cc1occc1C(=O)NC1CCN(C(=O)CCNC(N)=O)CC1 ZINC000067178700 1173769874 /nfs/dbraw/zinc/76/98/74/1173769874.db2.gz RJEIMMOFBDPARR-UHFFFAOYSA-N 0 0 322.365 0.367 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)c3cc[nH]c3)c2)NC(=O)NC1=O ZINC000068329907 1173786168 /nfs/dbraw/zinc/78/61/68/1173786168.db2.gz CXVJMOYTUOLQJI-MRXNPFEDSA-N 0 0 312.329 0.999 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNS(=O)(=O)C2CC2)cc1 ZINC000080936012 1174519805 /nfs/dbraw/zinc/51/98/05/1174519805.db2.gz CTMCDESKIZGKOA-UHFFFAOYSA-N 0 0 318.420 0.348 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCC(C)(C)c1ccncc1 ZINC000091863181 1175545922 /nfs/dbraw/zinc/54/59/22/1175545922.db2.gz KXKQDYYFXHFAFY-UHFFFAOYSA-N 0 0 313.423 0.757 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000121127861 1176971097 /nfs/dbraw/zinc/97/10/97/1176971097.db2.gz RLOAKQWGJNRFGB-JTQLQIEISA-N 0 0 305.338 0.018 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NCCS(N)(=O)=O ZINC000123704258 1177061383 /nfs/dbraw/zinc/06/13/83/1177061383.db2.gz LYBZZIVTSXDKPH-UHFFFAOYSA-N 0 0 322.184 0.050 10 0 DCAERN Cc1oc(C(=O)NCC[C@H](C)[S@@](C)=O)cc1S(N)(=O)=O ZINC000132857864 1177526591 /nfs/dbraw/zinc/52/65/91/1177526591.db2.gz CVYKLXMHKIKZRS-IIYDVTGLSA-N 0 0 322.408 0.122 10 0 DCAERN Cc1cc(NC(=O)Cn2cnc(N)n2)cnc1Br ZINC000235883031 1180567318 /nfs/dbraw/zinc/56/73/18/1180567318.db2.gz FOLLIGBFRSXPEY-UHFFFAOYSA-N 0 0 311.143 0.965 10 0 DCAERN CO[C@@H]1CCCC[C@@H]1OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255620676 1183740325 /nfs/dbraw/zinc/74/03/25/1183740325.db2.gz QWYDJIRXDVEDJL-MPBQIQEOSA-N 0 0 322.361 0.598 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)N2CCN(CC(N)=O)CC2)cc1 ZINC000176218330 1184146905 /nfs/dbraw/zinc/14/69/05/1184146905.db2.gz WWQKGXVCSUJWKK-ACCUITESSA-N 0 0 317.389 0.728 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000177005688 1184225370 /nfs/dbraw/zinc/22/53/70/1184225370.db2.gz CQGIFNZGQGPXST-AAEUAGOBSA-N 0 0 313.361 0.701 10 0 DCAERN O=C(NCCNC(=O)c1ccc2c(c1)NC(=O)C2)c1ccn[nH]1 ZINC000188778488 1187802642 /nfs/dbraw/zinc/80/26/42/1187802642.db2.gz PPFBFTTYMFOPAC-UHFFFAOYSA-N 0 0 313.317 0.064 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC000189827356 1187953995 /nfs/dbraw/zinc/95/39/95/1187953995.db2.gz XXGJVLBEMZSNBB-MRXNPFEDSA-N 0 0 315.377 0.949 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000193490239 1188045956 /nfs/dbraw/zinc/04/59/56/1188045956.db2.gz HIZQRSNHNJICFB-LLVKDONJSA-N 0 0 301.350 0.534 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)c3ccc[nH]3)c2)NC(=O)NC1=O ZINC000195006617 1188196901 /nfs/dbraw/zinc/19/69/01/1188196901.db2.gz PPKKDQQBDUVWNY-MRXNPFEDSA-N 0 0 312.329 0.999 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCC(CCCO)CC2)cn1 ZINC000400984104 1190024839 /nfs/dbraw/zinc/02/48/39/1190024839.db2.gz UHPCELVGHZPTBS-UHFFFAOYSA-N 0 0 300.384 0.062 10 0 DCAERN COCCCN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307908574 1190384980 /nfs/dbraw/zinc/38/49/80/1190384980.db2.gz VHMNLKNDOVPIIU-UHFFFAOYSA-N 0 0 300.380 0.781 10 0 DCAERN C[C@@H](O)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905396 1190385464 /nfs/dbraw/zinc/38/54/64/1190385464.db2.gz ONVFEMFUFHGCIO-DTWKUNHWSA-N 0 0 300.380 0.562 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1C[C@H](O)[C@H](CO)C1 ZINC000316181101 1190412700 /nfs/dbraw/zinc/41/27/00/1190412700.db2.gz QCLZDOCFMKIFTA-CPCISQLKSA-N 0 0 316.151 0.580 10 0 DCAERN O=S(=O)(CCCOCc1ccccc1)N[C@@H]1COC[C@@H]1O ZINC000323117946 1190445540 /nfs/dbraw/zinc/44/55/40/1190445540.db2.gz KERFUHNLBQRJSF-KGLIPLIRSA-N 0 0 315.391 0.272 10 0 DCAERN C[C@H]1[C@@H](O)CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000384708871 1190699458 /nfs/dbraw/zinc/69/94/58/1190699458.db2.gz CWYGNQQWUXXZJM-JQWIXIFHSA-N 0 0 304.412 0.030 10 0 DCAERN Cc1noc(C)c1CCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000391448042 1190700614 /nfs/dbraw/zinc/70/06/14/1190700614.db2.gz IZBZAHRYXMZLCR-OAHLLOKOSA-N 0 0 320.349 0.425 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(F)F ZINC000390438198 1190700898 /nfs/dbraw/zinc/70/08/98/1190700898.db2.gz LIMIITBMALMWBS-LURJTMIESA-N 0 0 314.335 0.266 10 0 DCAERN O[C@H]1COC[C@H]1Nc1ncc(I)cn1 ZINC000306475792 747301551 /nfs/dbraw/zinc/30/15/51/747301551.db2.gz XXTRQDYKSPQJKE-RQJHMYQMSA-N 0 0 307.091 0.253 10 0 DCAERN Cc1cc(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)ns1 ZINC000588600272 747523793 /nfs/dbraw/zinc/52/37/93/747523793.db2.gz DQRWKRPMWDXTQH-PLNGDYQASA-N 0 0 321.358 0.606 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nc(N)n[nH]1 ZINC000255889953 747719723 /nfs/dbraw/zinc/71/97/23/747719723.db2.gz GAFFTLIQUCKEAO-SSDOTTSWSA-N 0 0 307.383 0.707 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000186154963 759625710 /nfs/dbraw/zinc/62/57/10/759625710.db2.gz WFXDITFMZPOLAH-UHFFFAOYSA-N 0 0 316.361 0.343 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040327831 768659752 /nfs/dbraw/zinc/65/97/52/768659752.db2.gz XPNXIBMJQXYFHY-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)Cn1nnc2ccccc21 ZINC000179283570 773979148 /nfs/dbraw/zinc/97/91/48/773979148.db2.gz OGWUGENFOJPSFQ-UHFFFAOYSA-N 0 0 303.366 0.710 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1F ZINC000401892056 774070070 /nfs/dbraw/zinc/07/00/70/774070070.db2.gz SXWUXSIVGCMVOT-SECBINFHSA-N 0 0 302.327 0.937 10 0 DCAERN C[S@](=O)C1(CNS(=O)(=O)c2cccnc2F)CCC1 ZINC000401912174 774071170 /nfs/dbraw/zinc/07/11/70/774071170.db2.gz UMERURAMFOGJAF-SFHVURJKSA-N 0 0 306.384 0.800 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CCC(F)(F)[C@H](CO)C1 ZINC000403297071 774100108 /nfs/dbraw/zinc/10/01/08/774100108.db2.gz QPXQHJFUEHOUNQ-QMMMGPOBSA-N 0 0 310.297 0.859 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000713258304 941007562 /nfs/dbraw/zinc/00/75/62/941007562.db2.gz FGKQAPQZAMBQQV-AWEZNQCLSA-N 0 0 306.362 0.867 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)n(C)c1 ZINC000181216817 199266877 /nfs/dbraw/zinc/26/68/77/199266877.db2.gz CQZRMHNJCWBYIQ-SNVBAGLBSA-N 0 0 315.395 0.184 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000096658547 185385123 /nfs/dbraw/zinc/38/51/23/185385123.db2.gz FYDRBNMEMGQXSA-SNVBAGLBSA-N 0 0 302.352 0.698 10 0 DCAERN Cc1cc(C)nc(N2CCN(C(=O)NCC3(C)COC3)CC2)n1 ZINC000272860766 210254195 /nfs/dbraw/zinc/25/41/95/210254195.db2.gz QIGWQMFIYIVAIV-UHFFFAOYSA-N 0 0 319.409 0.962 10 0 DCAERN CCc1cc(N2CCN(CCS(C)(=O)=O)CC2)nc(C)n1 ZINC000302085780 529534658 /nfs/dbraw/zinc/53/46/58/529534658.db2.gz KOYVWMSPXNSAJE-UHFFFAOYSA-N 0 0 312.439 0.514 10 0 DCAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)Cn1cnnn1)CCCC2 ZINC000279152121 214661005 /nfs/dbraw/zinc/66/10/05/214661005.db2.gz HLBUMMQWHJLCNG-CYBMUJFWSA-N 0 0 315.381 0.649 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCC(=O)NC(C)(C)C)c2=O)s1 ZINC000092860640 185347175 /nfs/dbraw/zinc/34/71/75/185347175.db2.gz ZBAWMLZSQONWCG-UHFFFAOYSA-N 0 0 322.390 0.709 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000181399383 199290686 /nfs/dbraw/zinc/29/06/86/199290686.db2.gz CJHGIYJMAGPSGO-CYBMUJFWSA-N 0 0 317.411 0.531 10 0 DCAERN COc1cccc(Cl)c1C(=O)NCC(=O)N1CCOCC1 ZINC000181410821 199292803 /nfs/dbraw/zinc/29/28/03/199292803.db2.gz LUSJKVWUNFUJAR-UHFFFAOYSA-N 0 0 312.753 0.937 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c(C)c1 ZINC000097002322 185396375 /nfs/dbraw/zinc/39/63/75/185396375.db2.gz MVZVKORFNCJGIS-NSHDSACASA-N 0 0 310.379 0.962 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)CC2 ZINC000187115407 529751299 /nfs/dbraw/zinc/75/12/99/529751299.db2.gz GSOAVAUXGKYUNA-GHMZBOCLSA-N 0 0 320.397 0.027 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000171734726 529861393 /nfs/dbraw/zinc/86/13/93/529861393.db2.gz XSJHSXDVRHMBDR-NSHDSACASA-N 0 0 314.455 0.344 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C[C@@H](C)O)[C@H](C)CO)cc1 ZINC000279335554 214803036 /nfs/dbraw/zinc/80/30/36/214803036.db2.gz UKDFFBAZAVDHDB-VXGBXAGGSA-N 0 0 308.378 0.873 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000177283641 529874470 /nfs/dbraw/zinc/87/44/70/529874470.db2.gz GHNBZYQGYDFRCW-LLVKDONJSA-N 0 0 323.340 0.931 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(F)c1C)C(C)C ZINC000179081263 529918870 /nfs/dbraw/zinc/91/88/70/529918870.db2.gz CKVQVXIIQIGRAY-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000188905198 529924225 /nfs/dbraw/zinc/92/42/25/529924225.db2.gz HZQVVCVJNUZOQU-MRVPVSSYSA-N 0 0 302.256 0.846 10 0 DCAERN COC[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000103380730 185448980 /nfs/dbraw/zinc/44/89/80/185448980.db2.gz JFRZOERNYXEAGU-NSHDSACASA-N 0 0 314.407 0.836 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000106921330 185464036 /nfs/dbraw/zinc/46/40/36/185464036.db2.gz DYGNEAADFCHWQA-AWEZNQCLSA-N 0 0 317.389 0.770 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000188913547 530017576 /nfs/dbraw/zinc/01/75/76/530017576.db2.gz JZGPOZFTYLCPJU-OLZOCXBDSA-N 0 0 312.391 0.464 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173985607 282373570 /nfs/dbraw/zinc/37/35/70/282373570.db2.gz HGZMKBQBJFPPTM-LLVKDONJSA-N 0 0 309.332 0.414 10 0 DCAERN Cn1ccnc1[C@H]1CN(Cc2nnnn2C2CC2)CCN1C ZINC000279918053 215236500 /nfs/dbraw/zinc/23/65/00/215236500.db2.gz FGHCWEDUWHUXBS-GFCCVEGCSA-N 0 0 302.386 0.230 10 0 DCAERN CC[C@@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)C(=O)OC ZINC000084275402 192419800 /nfs/dbraw/zinc/41/98/00/192419800.db2.gz CAMGFHCSUIGKSK-CMPLNLGQSA-N 0 0 317.349 0.969 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H](C)O1 ZINC000084735061 192463426 /nfs/dbraw/zinc/46/34/26/192463426.db2.gz VPRMLXPYFQYSJA-NXEZZACHSA-N 0 0 316.379 0.578 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2noc(C)n2)C1 ZINC000175693735 186188948 /nfs/dbraw/zinc/18/89/48/186188948.db2.gz ZEOXOSHDUBFMGR-NSHDSACASA-N 0 0 309.370 0.968 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000175711510 186191075 /nfs/dbraw/zinc/19/10/75/186191075.db2.gz IZLYMMIJSCKLDA-TZMCWYRMSA-N 0 0 307.398 0.282 10 0 DCAERN Cn1cc(NS(=O)(=O)C[C@@H]2CCCO2)cc(Cl)c1=O ZINC000177885232 186199030 /nfs/dbraw/zinc/19/90/30/186199030.db2.gz WEVYPUJIYPZOCR-VIFPVBQESA-N 0 0 306.771 0.959 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000179723004 186210049 /nfs/dbraw/zinc/21/00/49/186210049.db2.gz CXEKPWBWRUMODZ-UONOGXRCSA-N 0 0 308.378 0.229 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000177908337 186202974 /nfs/dbraw/zinc/20/29/74/186202974.db2.gz WQCBJJZCJDJUNL-CQSZACIVSA-N 0 0 305.378 0.540 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCO[C@]2(CCOC2)C1 ZINC000183833822 186222287 /nfs/dbraw/zinc/22/22/87/186222287.db2.gz RYAYIUCTKWWRSC-CQSZACIVSA-N 0 0 310.375 0.496 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000408101890 290933646 /nfs/dbraw/zinc/93/36/46/290933646.db2.gz VVRXKBPDGZHUNG-UNXYVOJBSA-N 0 0 317.407 0.611 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376128 198087670 /nfs/dbraw/zinc/08/76/70/198087670.db2.gz KYHZYSKGJNTWQO-OAHLLOKOSA-N 0 0 321.425 0.635 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N(C[C@H]1CCOC1)C1CC1 ZINC000172525962 198110160 /nfs/dbraw/zinc/11/01/60/198110160.db2.gz BXZXOQDRLLLJOI-GFCCVEGCSA-N 0 0 303.362 0.839 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000172604777 198122671 /nfs/dbraw/zinc/12/26/71/198122671.db2.gz UILUBACXDWWMMB-STQMWFEESA-N 0 0 315.381 0.873 10 0 DCAERN CSc1nc2nc(C)c3c(ccn(-n4cnnc4)c3=O)n2n1 ZINC000072449593 191170110 /nfs/dbraw/zinc/17/01/10/191170110.db2.gz KFXFHHGKKVLCIV-UHFFFAOYSA-N 0 0 314.334 0.372 10 0 DCAERN CCn1c(=O)[nH]c(=O)c2cc(C(=O)OCCOC)c(C)nc21 ZINC000072451982 191171128 /nfs/dbraw/zinc/17/11/28/191171128.db2.gz VJKZGASEGHNJCO-UHFFFAOYSA-N 0 0 307.306 0.216 10 0 DCAERN O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCO ZINC000072452330 191171742 /nfs/dbraw/zinc/17/17/42/191171742.db2.gz XKTWXGAJFUGDHN-UHFFFAOYSA-N 0 0 308.301 0.494 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000072677009 191212775 /nfs/dbraw/zinc/21/27/75/191212775.db2.gz ORWZOWFOXLIUJS-CYBMUJFWSA-N 0 0 307.460 0.519 10 0 DCAERN NC(=O)CCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000173019167 198177575 /nfs/dbraw/zinc/17/75/75/198177575.db2.gz OSOVEGCPOILLGW-UHFFFAOYSA-N 0 0 324.280 0.585 10 0 DCAERN COCc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000173407425 198212021 /nfs/dbraw/zinc/21/20/21/198212021.db2.gz LUHLWBZSSLSAKL-SMDDNHRTSA-N 0 0 309.366 0.614 10 0 DCAERN Cc1nc(CNC(=O)NCC(=O)NCCc2ccccc2)no1 ZINC000173549876 198226219 /nfs/dbraw/zinc/22/62/19/198226219.db2.gz YHKWJYFHPOMOKE-UHFFFAOYSA-N 0 0 317.349 0.536 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000173650977 198236567 /nfs/dbraw/zinc/23/65/67/198236567.db2.gz HHTDGAKGDWHNEX-OAHLLOKOSA-N 0 0 303.318 0.428 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000173963186 198274454 /nfs/dbraw/zinc/27/44/54/198274454.db2.gz UXTMAKKZCLDQTM-JQWIXIFHSA-N 0 0 322.365 0.101 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000182087197 199383933 /nfs/dbraw/zinc/38/39/33/199383933.db2.gz AOTOGHFCMIJZQN-VXGBXAGGSA-N 0 0 322.413 0.461 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174322517 198320405 /nfs/dbraw/zinc/32/04/05/198320405.db2.gz SDIYWYJECFYMCU-ZIAGYGMSSA-N 0 0 322.405 0.988 10 0 DCAERN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CNC(=O)C1 ZINC000174347925 198323339 /nfs/dbraw/zinc/32/33/39/198323339.db2.gz ZXPIEEFJLVRREL-NSHDSACASA-N 0 0 316.336 0.806 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)CCC1=O ZINC000175166396 198438529 /nfs/dbraw/zinc/43/85/29/198438529.db2.gz ACMOJQZRIXULLL-VXGBXAGGSA-N 0 0 306.370 0.245 10 0 DCAERN C[C@@H]1CN([C@@H](CNS(N)(=O)=O)c2cccs2)CCO1 ZINC000175223932 198447738 /nfs/dbraw/zinc/44/77/38/198447738.db2.gz QPNYAHRSPFNPSV-ZJUUUORDSA-N 0 0 305.425 0.303 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000182480050 199446521 /nfs/dbraw/zinc/44/65/21/199446521.db2.gz SJZWTNIIKCBBIJ-GFCCVEGCSA-N 0 0 301.350 0.661 10 0 DCAERN O=c1[nH]nc2cnc3cc(S(=O)(=O)N4CCCC4)ccc3n21 ZINC000073665834 191339376 /nfs/dbraw/zinc/33/93/76/191339376.db2.gz ZXONINAWTJPOCJ-UHFFFAOYSA-N 0 0 319.346 0.355 10 0 DCAERN O=c1[nH]cnc2ccc(S(=O)(=O)N3CCSCC3)cc21 ZINC000073734605 191349312 /nfs/dbraw/zinc/34/93/12/191349312.db2.gz LQKLVVDEJJJHTQ-UHFFFAOYSA-N 0 0 311.388 0.661 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000077788236 191775199 /nfs/dbraw/zinc/77/51/99/191775199.db2.gz JRAJFESULGVBLD-QWRGUYRKSA-N 0 0 311.357 0.872 10 0 DCAERN C[C@H](NC(=O)NCCNC(=O)c1cccnc1)[C@@H]1CCCO1 ZINC000077793725 191776767 /nfs/dbraw/zinc/77/67/67/191776767.db2.gz BORWXDUASIYWFZ-AAEUAGOBSA-N 0 0 306.366 0.678 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177597540 198749921 /nfs/dbraw/zinc/74/99/21/198749921.db2.gz LNIGFRKXZIEODC-TZMCWYRMSA-N 0 0 317.393 0.820 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000407959223 283191954 /nfs/dbraw/zinc/19/19/54/283191954.db2.gz VFCHKWOGBYQPEQ-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178750227 198923181 /nfs/dbraw/zinc/92/31/81/198923181.db2.gz WRKNVSVRFIDRLG-SKDRFNHKSA-N 0 0 300.380 0.471 10 0 DCAERN Cn1cc(NC(=O)NCCC(N)=O)cc(Br)c1=O ZINC000178966066 198961481 /nfs/dbraw/zinc/96/14/81/198961481.db2.gz ZJBFKODMRCIIAY-UHFFFAOYSA-N 0 0 317.143 0.145 10 0 DCAERN Cc1cc(F)ccc1-n1cc(C(=O)N2CCNC(=O)CC2)nn1 ZINC000179445461 199037705 /nfs/dbraw/zinc/03/77/05/199037705.db2.gz XOBYQSHEIHUKDZ-UHFFFAOYSA-N 0 0 317.324 0.677 10 0 DCAERN CCN(CCc1nccs1)C(=O)CNS(=O)(=O)CC ZINC000179548671 199053562 /nfs/dbraw/zinc/05/35/62/199053562.db2.gz ZMOGMKFILBOXKV-UHFFFAOYSA-N 0 0 305.425 0.473 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122394319 535405960 /nfs/dbraw/zinc/40/59/60/535405960.db2.gz IZGJQMLRZBCMAX-LBPRGKRZSA-N 0 0 318.439 0.671 10 0 DCAERN COCCOc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccn1 ZINC000180385758 199152933 /nfs/dbraw/zinc/15/29/33/199152933.db2.gz LPCFYMZXHBEEIC-GFCCVEGCSA-N 0 0 317.349 0.443 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180600720 199182308 /nfs/dbraw/zinc/18/23/08/199182308.db2.gz ONTXYJCFLLWAMZ-QMMMGPOBSA-N 0 0 306.771 0.964 10 0 DCAERN COc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1-n1cnnn1 ZINC000180737467 199202952 /nfs/dbraw/zinc/20/29/52/199202952.db2.gz CZEGUCOUGACQMZ-GFCCVEGCSA-N 0 0 317.349 0.922 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000180775462 199207531 /nfs/dbraw/zinc/20/75/31/199207531.db2.gz AWIOVQPBJQLTEK-UPJWGTAASA-N 0 0 306.428 0.889 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180867845 199221405 /nfs/dbraw/zinc/22/14/05/199221405.db2.gz LVGVWAQANBDUGK-NSHDSACASA-N 0 0 321.381 0.082 10 0 DCAERN O=C(CNC(=O)c1coc(Br)c1)N1CCOCC1 ZINC000181072377 199248747 /nfs/dbraw/zinc/24/87/47/199248747.db2.gz SPGGLATWGVUIKG-UHFFFAOYSA-N 0 0 317.139 0.631 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155245315 237037415 /nfs/dbraw/zinc/03/74/15/237037415.db2.gz PLQHTOIRWUZOTK-VXGBXAGGSA-N 0 0 318.439 0.179 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000155747523 237043869 /nfs/dbraw/zinc/04/38/69/237043869.db2.gz KBONEVALZKXYJP-CHWSQXEVSA-N 0 0 314.389 0.948 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1cnccn1 ZINC000173170512 237154778 /nfs/dbraw/zinc/15/47/78/237154778.db2.gz VNUBVQJBMZTCCU-MNOVXSKESA-N 0 0 300.384 0.262 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2nccs2)[C@H](C)CO1 ZINC000173082668 237155121 /nfs/dbraw/zinc/15/51/21/237155121.db2.gz VYQYGHXRGAIPSX-NXEZZACHSA-N 0 0 305.425 0.629 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000176350758 237196511 /nfs/dbraw/zinc/19/65/11/237196511.db2.gz XOXBUVADCGARGM-OAHLLOKOSA-N 0 0 305.334 0.440 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCC1(CO)CCCC1 ZINC000186957218 200037880 /nfs/dbraw/zinc/03/78/80/200037880.db2.gz FATGTZKOLSKOQR-LLVKDONJSA-N 0 0 300.424 0.967 10 0 DCAERN C[C@H]1CN(C(=O)c2ncncc2Cl)CCN1S(C)(=O)=O ZINC000180313763 237250834 /nfs/dbraw/zinc/25/08/34/237250834.db2.gz MLEPMJFJVWNTDN-QMMMGPOBSA-N 0 0 318.786 0.236 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)O1 ZINC000187321915 200094946 /nfs/dbraw/zinc/09/49/46/200094946.db2.gz VRHJBBIODNNGIZ-MRVPVSSYSA-N 0 0 302.352 0.614 10 0 DCAERN C[C@@](O)(CNC(=O)c1c(O)cccc1F)CN1CCOCC1 ZINC000187515338 200122474 /nfs/dbraw/zinc/12/24/74/200122474.db2.gz PJDAYLRRDWXVGC-OAHLLOKOSA-N 0 0 312.341 0.344 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174901188 295996594 /nfs/dbraw/zinc/99/65/94/295996594.db2.gz PMEQGSVICZUFJH-NWDGAFQWSA-N 0 0 301.412 0.075 10 0 DCAERN COC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000185444613 237301151 /nfs/dbraw/zinc/30/11/51/237301151.db2.gz UKFOXFIXRUUNSJ-NSHDSACASA-N 0 0 304.412 0.486 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)cnc12 ZINC000187874277 237359812 /nfs/dbraw/zinc/35/98/12/237359812.db2.gz UGJWXFFOERMLOE-VXGBXAGGSA-N 0 0 317.345 0.225 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cnc2ccccn2c1=O ZINC000187634035 200137448 /nfs/dbraw/zinc/13/74/48/200137448.db2.gz TVWSNTHWANOSQC-MRXNPFEDSA-N 0 0 315.329 0.862 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)NCC1(CCO)CC1 ZINC000188043583 237363254 /nfs/dbraw/zinc/36/32/54/237363254.db2.gz PDULZCJYLNLWEE-UHFFFAOYSA-N 0 0 301.346 0.675 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1F)NCC1(CCO)CC1 ZINC000187975742 237363770 /nfs/dbraw/zinc/36/37/70/237363770.db2.gz FMHKUIQICQZVJQ-UHFFFAOYSA-N 0 0 312.316 0.973 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)NCC1(CCO)CC1 ZINC000188041827 237365916 /nfs/dbraw/zinc/36/59/16/237365916.db2.gz NQSZMJCNFISGPF-UHFFFAOYSA-N 0 0 306.362 0.460 10 0 DCAERN COCCCN(CCO)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000187638036 237348808 /nfs/dbraw/zinc/34/88/08/237348808.db2.gz NBDXVDUCJZIDSL-UHFFFAOYSA-N 0 0 305.334 0.394 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000187842010 200165504 /nfs/dbraw/zinc/16/55/04/200165504.db2.gz FVPRFMDXZACRDJ-GFCCVEGCSA-N 0 0 323.397 0.369 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)c2cn3ccnc3s2)C1=O ZINC000188609711 200274290 /nfs/dbraw/zinc/27/42/90/200274290.db2.gz ARLMHYSFERGGMJ-QMMMGPOBSA-N 0 0 306.347 0.662 10 0 DCAERN CCn1c(N)c(C(=O)CN2C[C@@H](C)CC[C@@H]2C)c(=O)[nH]c1=O ZINC000157089217 291226713 /nfs/dbraw/zinc/22/67/13/291226713.db2.gz OUULJNSAXKACDM-UWVGGRQHSA-N 0 0 308.382 0.442 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000158829118 291232590 /nfs/dbraw/zinc/23/25/90/291232590.db2.gz OUFBGIBKHXDVQA-DTWKUNHWSA-N 0 0 314.363 0.313 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000159259434 291234399 /nfs/dbraw/zinc/23/43/99/291234399.db2.gz NMZLPCXRGPNTMU-NSHDSACASA-N 0 0 324.468 0.378 10 0 DCAERN CCCNC(=O)CCNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162133084 291243173 /nfs/dbraw/zinc/24/31/73/291243173.db2.gz VTLAFAULEBQIBY-GFCCVEGCSA-N 0 0 308.378 0.979 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](CCO)COC)cn1 ZINC000276017998 238316278 /nfs/dbraw/zinc/31/62/78/238316278.db2.gz QHMOIHKRQJCCPD-MELADBBJSA-N 0 0 311.382 0.494 10 0 DCAERN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cncc(C(N)=O)n1 ZINC000408356523 239267172 /nfs/dbraw/zinc/26/71/72/239267172.db2.gz ZDGBIGKYMOSMDW-LLVKDONJSA-N 0 0 305.382 0.265 10 0 DCAERN CCC[C@@]1(NS(=O)(=O)N(C)CCC(=O)OC)CCOC1 ZINC000352331711 283751403 /nfs/dbraw/zinc/75/14/03/283751403.db2.gz RPOPITHPJHHMBK-GFCCVEGCSA-N 0 0 308.400 0.275 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cccnn2)CC1 ZINC000567213572 291342399 /nfs/dbraw/zinc/34/23/99/291342399.db2.gz JJHKYARYWAWAKF-UHFFFAOYSA-N 0 0 321.381 0.255 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)on2)cc1 ZINC000091781847 193106990 /nfs/dbraw/zinc/10/69/90/193106990.db2.gz XVDWYLSHFNEDBP-CYBMUJFWSA-N 0 0 315.329 0.976 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000091780883 193107166 /nfs/dbraw/zinc/10/71/66/193107166.db2.gz MNFKJPVIHQNDTK-GFCCVEGCSA-N 0 0 312.753 0.822 10 0 DCAERN CCc1cccc2c(CC(=O)N3CCOC[C@H]3C(N)=O)c[nH]c21 ZINC000091783747 193107611 /nfs/dbraw/zinc/10/76/11/193107611.db2.gz JNSFAJDIPVOAFK-AWEZNQCLSA-N 0 0 315.373 0.986 10 0 DCAERN C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784858 193107613 /nfs/dbraw/zinc/10/76/13/193107613.db2.gz GDHCWKJZXRQUTQ-GXSJLCMTSA-N 0 0 312.753 0.820 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000091785073 193107649 /nfs/dbraw/zinc/10/76/49/193107649.db2.gz XROBPFZHLLPYPY-ZDUSSCGKSA-N 0 0 300.318 0.403 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ncoc2C)CC12COC2 ZINC000454737631 240806708 /nfs/dbraw/zinc/80/67/08/240806708.db2.gz GBMBOAARSSCJOG-NSHDSACASA-N 0 0 323.349 0.704 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnc3c(cnn3CC(C)C)c2)C[C@H]1O ZINC000456366725 240902767 /nfs/dbraw/zinc/90/27/67/240902767.db2.gz IINVDBBUUWRLIO-ZIAGYGMSSA-N 0 0 318.377 0.919 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccncc2)CC12COC2 ZINC000457381682 240999667 /nfs/dbraw/zinc/99/96/67/240999667.db2.gz IDFKAIIQANTSHD-ZDUSSCGKSA-N 0 0 319.361 0.803 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCCCO1 ZINC000457747805 241032248 /nfs/dbraw/zinc/03/22/48/241032248.db2.gz AGWKIOXUFKIPMS-JRPNMDOOSA-N 0 0 314.382 0.518 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC000460070660 241068233 /nfs/dbraw/zinc/06/82/33/241068233.db2.gz DCVWPTRPXNPIBP-LBPRGKRZSA-N 0 0 312.414 0.365 10 0 DCAERN CC/C=C\CNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000459029724 241054466 /nfs/dbraw/zinc/05/44/66/241054466.db2.gz YEPATSBHCYHISF-PLNGDYQASA-N 0 0 303.428 0.923 10 0 DCAERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000494661677 241205950 /nfs/dbraw/zinc/20/59/50/241205950.db2.gz PFFSGTSPJFGWJU-LLVKDONJSA-N 0 0 319.361 0.676 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000370487335 283927133 /nfs/dbraw/zinc/92/71/33/283927133.db2.gz IYGGRYKUHUGDDM-JTQLQIEISA-N 0 0 320.345 0.875 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC000408111126 291392989 /nfs/dbraw/zinc/39/29/89/291392989.db2.gz ZZTFMEKCRCQNNQ-GHMZBOCLSA-N 0 0 317.407 0.611 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)CN1CCOC[C@@]12CCOC2 ZINC000568015202 291398108 /nfs/dbraw/zinc/39/81/08/291398108.db2.gz OVLBKDUFWHHDDJ-ZNMIVQPWSA-N 0 0 301.383 0.034 10 0 DCAERN CCNc1ccnc(N2C[C@@H]3CC[N@H+](C)C[C@]3(C(=O)[O-])C2)n1 ZINC000092098851 193158741 /nfs/dbraw/zinc/15/87/41/193158741.db2.gz PYOGCGBWEOJIMZ-NHYWBVRUSA-N 0 0 305.382 0.751 10 0 DCAERN Cc1ccc2c(CN3CCOC[C@H]3C(N)=O)cc(=O)oc2c1 ZINC000092230020 193177218 /nfs/dbraw/zinc/17/72/18/193177218.db2.gz ZFWACPWFFYVKAO-ZDUSSCGKSA-N 0 0 302.330 0.788 10 0 DCAERN CC(C)CNC(=O)c1cccc(CN2CCOC[C@@H]2C(N)=O)c1 ZINC000092231024 193177463 /nfs/dbraw/zinc/17/74/63/193177463.db2.gz YVSLKFIHIWCPAK-OAHLLOKOSA-N 0 0 319.405 0.759 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000367527884 291443503 /nfs/dbraw/zinc/44/35/03/291443503.db2.gz TVLBXPPDVYBDBL-FRRDWIJNSA-N 0 0 311.378 0.982 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000375653458 284087517 /nfs/dbraw/zinc/08/75/17/284087517.db2.gz WZKWMRRCBJOPDJ-MCIONIFRSA-N 0 0 316.357 0.624 10 0 DCAERN O=C(NC[C@@H]1CCCCO1)C(=O)Nc1ccc2nccn2c1 ZINC000568861538 291449605 /nfs/dbraw/zinc/44/96/05/291449605.db2.gz NFUDIUSFAVSVNH-LBPRGKRZSA-N 0 0 302.334 0.958 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CC[C@@H](C)[C@@H](OC)C1)C(C)C ZINC000187707339 261124581 /nfs/dbraw/zinc/12/45/81/261124581.db2.gz ATEOVWSHGBNUIP-DYEKYZERSA-N 0 0 300.399 0.657 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569876619 291500624 /nfs/dbraw/zinc/50/06/24/291500624.db2.gz RAEFDRZVVOUUTA-ONGXEEELSA-N 0 0 322.390 0.501 10 0 DCAERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@@H]1C)[C@@H]1CC(=O)NC1=O ZINC000246757892 284223689 /nfs/dbraw/zinc/22/36/89/284223689.db2.gz SXVQYBUUBBESBI-DRCTWCGVSA-N 0 0 302.330 0.815 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC(=O)N1C ZINC000282452206 217007253 /nfs/dbraw/zinc/00/72/53/217007253.db2.gz SOPZNILWSFZDPW-SNVBAGLBSA-N 0 0 310.375 0.393 10 0 DCAERN CC[C@@H](C(=O)OC)n1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000012127049 181730558 /nfs/dbraw/zinc/73/05/58/181730558.db2.gz AMWQJRCYFADIAF-ZETCQYMHSA-N 0 0 309.347 0.989 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CC(=O)N(C)[C@H](C)C3)ccc21 ZINC000282468548 217018780 /nfs/dbraw/zinc/01/87/80/217018780.db2.gz UMQDWJWOVBKVOB-LLVKDONJSA-N 0 0 315.373 0.898 10 0 DCAERN CNC(=O)c1cccc(NC(=O)CCC(=O)OCCOC)c1 ZINC000013630675 181870101 /nfs/dbraw/zinc/87/01/01/181870101.db2.gz AHWXQTRGGDCNGB-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN Cc1cccc(-c2nnc(N3CCS(=O)(=O)[C@@H](C)C3)n2C)n1 ZINC000282614955 217126968 /nfs/dbraw/zinc/12/69/68/217126968.db2.gz ZJPCLBOVHDIBTE-NSHDSACASA-N 0 0 321.406 0.809 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447845 296186253 /nfs/dbraw/zinc/18/62/53/296186253.db2.gz OEFNYFVOZDNPFR-CHWSQXEVSA-N 0 0 304.456 0.893 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000266013589 205025946 /nfs/dbraw/zinc/02/59/46/205025946.db2.gz TWPFKYQAFFNMJG-GFCCVEGCSA-N 0 0 319.283 0.745 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)N(C)C ZINC000266049636 205056666 /nfs/dbraw/zinc/05/66/66/205056666.db2.gz REUWHZNWXBKSLT-UHFFFAOYSA-N 0 0 307.397 0.203 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cccc(NC(C)=O)c1 ZINC000021683243 182283591 /nfs/dbraw/zinc/28/35/91/182283591.db2.gz MMGYMSCVELDKJN-UHFFFAOYSA-N 0 0 313.379 0.314 10 0 DCAERN COC(=O)CN(C)S(=O)(=O)c1cccc(C(N)=S)c1 ZINC000021796960 182289522 /nfs/dbraw/zinc/28/95/22/182289522.db2.gz FYUJWDOFLBWKKO-UHFFFAOYSA-N 0 0 302.377 0.114 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000026148204 182431099 /nfs/dbraw/zinc/43/10/99/182431099.db2.gz RQPOEBIMQQJLGW-UHFFFAOYSA-N 0 0 320.397 0.223 10 0 DCAERN COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)nc1 ZINC000031070593 182605969 /nfs/dbraw/zinc/60/59/69/182605969.db2.gz QGFWOTPSGKPTLA-UHFFFAOYSA-N 0 0 321.786 0.118 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000408272864 291624206 /nfs/dbraw/zinc/62/42/06/291624206.db2.gz KFYSHBHNRFWJAV-XJGUIPMBSA-N 0 0 308.378 0.701 10 0 DCAERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000330021457 296252203 /nfs/dbraw/zinc/25/22/03/296252203.db2.gz XVWMUHDZTQHVPG-HBNTYKKESA-N 0 0 302.396 0.271 10 0 DCAERN Cn1cnnc1CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000038007754 182960967 /nfs/dbraw/zinc/96/09/67/182960967.db2.gz MGGZQAYPWPILLV-NSHDSACASA-N 0 0 310.354 0.963 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293608 296260196 /nfs/dbraw/zinc/26/01/96/296260196.db2.gz AEUHHKLLAQAXEW-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN O=CN1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 ZINC000040176186 183044210 /nfs/dbraw/zinc/04/42/10/183044210.db2.gz JVNRNZJRFOGESN-UHFFFAOYSA-N 0 0 304.375 0.956 10 0 DCAERN CN(CC(N)=S)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000041515481 183196372 /nfs/dbraw/zinc/19/63/72/183196372.db2.gz IRADAZHOHRTQRY-UHFFFAOYSA-N 0 0 302.377 0.364 10 0 DCAERN Cc1c(NC2CCS(=O)CC2)cccc1S(N)(=O)=O ZINC000042353969 183257636 /nfs/dbraw/zinc/25/76/36/183257636.db2.gz AUKQLSBJKBFQRC-UHFFFAOYSA-N 0 0 302.421 0.965 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000043072323 183334225 /nfs/dbraw/zinc/33/42/25/183334225.db2.gz ZLYSOLLZSCWFGH-AWEZNQCLSA-N 0 0 324.402 0.717 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCS(=O)(=O)CC(C)C ZINC000104360027 194002416 /nfs/dbraw/zinc/00/24/16/194002416.db2.gz MOCPTTYHFYACSO-LLVKDONJSA-N 0 0 304.412 0.184 10 0 DCAERN O=C(NCc1ccc(OCC2CC2)nc1)N1CCNC(=O)CC1 ZINC000105214280 194085413 /nfs/dbraw/zinc/08/54/13/194085413.db2.gz FZUZSFKDFNYMID-UHFFFAOYSA-N 0 0 318.377 0.902 10 0 DCAERN CNC(=O)c1cccc(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000105283153 194093088 /nfs/dbraw/zinc/09/30/88/194093088.db2.gz QUTKSQRZKHPEKY-ZDUSSCGKSA-N 0 0 306.366 0.498 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855111 194147934 /nfs/dbraw/zinc/14/79/34/194147934.db2.gz CMKQRMJLWVVNDB-NWDGAFQWSA-N 0 0 309.395 0.363 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000106744592 194248730 /nfs/dbraw/zinc/24/87/30/194248730.db2.gz RLBGXXMRPPRCMY-JSGCOSHPSA-N 0 0 319.409 0.964 10 0 DCAERN O=S(=O)(Nc1cccc(O)c1)C1CCS(=O)(=O)CC1 ZINC000050351449 183782666 /nfs/dbraw/zinc/78/26/66/183782666.db2.gz GAYYUODWIUYQMV-UHFFFAOYSA-N 0 0 305.377 0.711 10 0 DCAERN CNC(=O)CNC(=O)c1cc(Br)cnc1NC ZINC000050751177 183802412 /nfs/dbraw/zinc/80/24/12/183802412.db2.gz XYIGCZNCYBFWFG-UHFFFAOYSA-N 0 0 301.144 0.362 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NCCCc1cccc(F)c1 ZINC000110312343 194321901 /nfs/dbraw/zinc/32/19/01/194321901.db2.gz CQHPPBVTQCUSJG-UHFFFAOYSA-N 0 0 307.325 0.816 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCCCNc2ccccc2)C1=O ZINC000110830012 194362330 /nfs/dbraw/zinc/36/23/30/194362330.db2.gz DXCYVNUSDRJFLI-UHFFFAOYSA-N 0 0 318.377 0.935 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328901575 296317514 /nfs/dbraw/zinc/31/75/14/296317514.db2.gz ZGLGKNNOVGEHPO-HZSPNIEDSA-N 0 0 317.455 0.511 10 0 DCAERN CC(C)COC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000055910699 184000453 /nfs/dbraw/zinc/00/04/53/184000453.db2.gz PLGWAJFRGTVPGG-UHFFFAOYSA-N 0 0 323.393 0.211 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(Cc1ccco1)Cc1ccco1 ZINC000056732126 184018177 /nfs/dbraw/zinc/01/81/77/184018177.db2.gz HUDQMYADPQWQNP-LBPRGKRZSA-N 0 0 317.301 1.000 10 0 DCAERN CC(C)c1cc(C(=O)NCCS(N)(=O)=O)nn1C(C)(C)C ZINC000056863204 184020722 /nfs/dbraw/zinc/02/07/22/184020722.db2.gz ZHXGMKSQZCHLOM-UHFFFAOYSA-N 0 0 316.427 0.780 10 0 DCAERN CCN(CCCNC(=O)C1C[C@H](C)O[C@@H](C)C1)S(C)(=O)=O ZINC000252802924 284900210 /nfs/dbraw/zinc/90/02/10/284900210.db2.gz VTNDVRARLDRWNP-RYUDHWBXSA-N 0 0 320.455 0.978 10 0 DCAERN CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000064574290 184300599 /nfs/dbraw/zinc/30/05/99/184300599.db2.gz HAPWEGDFUQTNPH-NSHDSACASA-N 0 0 318.333 0.871 10 0 DCAERN Cc1nc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cn1C ZINC000066095658 184388784 /nfs/dbraw/zinc/38/87/84/184388784.db2.gz AQBBVWGNHSQTLO-UHFFFAOYSA-N 0 0 302.400 0.264 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)CN1CCCS1(=O)=O ZINC000065667642 184376598 /nfs/dbraw/zinc/37/65/98/184376598.db2.gz ZGIKWOVIORQYPS-UHFFFAOYSA-N 0 0 314.382 0.862 10 0 DCAERN C[C@@H]1NC(=S)N([C@@H](Cc2ccccc2)C(=O)N(C)C)C1=O ZINC000067454585 184467337 /nfs/dbraw/zinc/46/73/37/184467337.db2.gz VBKRRQFVTJVHJM-JQWIXIFHSA-N 0 0 305.403 0.791 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)Cn1cnc2c1ncnc2N ZINC000265431051 252618033 /nfs/dbraw/zinc/61/80/33/252618033.db2.gz GDBMOHUGZRWZOK-BDAKNGLRSA-N 0 0 306.395 0.761 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000312737987 252641834 /nfs/dbraw/zinc/64/18/34/252641834.db2.gz IQZTUKJMPISHAW-UWVGGRQHSA-N 0 0 316.345 0.962 10 0 DCAERN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@](O)(CO)C1 ZINC000313803667 252643863 /nfs/dbraw/zinc/64/38/63/252643863.db2.gz NKMSBLFVBXVDKZ-LBPRGKRZSA-N 0 0 323.773 0.987 10 0 DCAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)C1(O)CCOCC1 ZINC000333228173 252695673 /nfs/dbraw/zinc/69/56/73/252695673.db2.gz GDKNFIKBUPALCV-KGLIPLIRSA-N 0 0 324.421 0.825 10 0 DCAERN COCCN1CCC[C@]2(CCN(Cc3nncn3C)C2)C1=O ZINC000091663363 285040466 /nfs/dbraw/zinc/04/04/66/285040466.db2.gz AIMSUIMDLLLSOO-OAHLLOKOSA-N 0 0 307.398 0.276 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408370269 291833715 /nfs/dbraw/zinc/83/37/15/291833715.db2.gz ITMMCZFGGPPXPL-QJPTWQEYSA-N 0 0 320.411 0.368 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@@H](C)CO ZINC000338906857 253008312 /nfs/dbraw/zinc/00/83/12/253008312.db2.gz VVVQYCMDUCWXAG-JTQLQIEISA-N 0 0 307.350 0.447 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c1 ZINC000340177258 253211509 /nfs/dbraw/zinc/21/15/09/253211509.db2.gz XAVVWNMGQJQZRQ-SNVBAGLBSA-N 0 0 308.363 0.848 10 0 DCAERN CCN(Cc1nnc(C2CC2)n1C)[C@H](C)CS(C)(=O)=O ZINC000171834845 285130926 /nfs/dbraw/zinc/13/09/26/285130926.db2.gz RNUKOMFTMADPOC-SNVBAGLBSA-N 0 0 300.428 0.948 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000343171004 253610582 /nfs/dbraw/zinc/61/05/82/253610582.db2.gz TUYZSSXESUEMPO-CYBMUJFWSA-N 0 0 316.427 0.481 10 0 DCAERN CCCc1cc(=O)n2nc(N3C[C@H](OC)C[C@@H]3CO)sc2n1 ZINC000343750701 253696852 /nfs/dbraw/zinc/69/68/52/253696852.db2.gz ZVIDMGFSXLPFSM-GHMZBOCLSA-N 0 0 324.406 0.690 10 0 DCAERN COC(=O)[C@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000348203058 254226503 /nfs/dbraw/zinc/22/65/03/254226503.db2.gz NSNUIUQGTNCQBN-CMPLNLGQSA-N 0 0 304.412 0.199 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2ncc(Br)s2)C1 ZINC000348205361 254226917 /nfs/dbraw/zinc/22/69/17/254226917.db2.gz XEURGTWAPGNJTG-VIFPVBQESA-N 0 0 306.185 0.328 10 0 DCAERN C[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350618372 254319324 /nfs/dbraw/zinc/31/93/24/254319324.db2.gz DJQUIZAATZEMST-RKDXNWHRSA-N 0 0 304.343 0.386 10 0 DCAERN CC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000351976110 254386498 /nfs/dbraw/zinc/38/64/98/254386498.db2.gz SLHKFMCVNGIPOR-CYBMUJFWSA-N 0 0 320.393 0.787 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000364066207 296409880 /nfs/dbraw/zinc/40/98/80/296409880.db2.gz YCIRGHDXJZDCMF-OLZOCXBDSA-N 0 0 318.439 0.985 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCC(=O)N(C)CCc2ccccn2)O1 ZINC000151912397 196745613 /nfs/dbraw/zinc/74/56/13/196745613.db2.gz NGPVMNCCHYKMCV-GXTWGEPZSA-N 0 0 305.378 0.766 10 0 DCAERN COC[C@@H]1CN(CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031901 285299889 /nfs/dbraw/zinc/29/98/89/285299889.db2.gz YIZNFQMLWHLSJB-ZDUSSCGKSA-N 0 0 305.440 0.937 10 0 DCAERN C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(CCO)[C@@H](C)C1 ZINC000187731675 533220469 /nfs/dbraw/zinc/22/04/69/533220469.db2.gz LTCLQUPJGDJDMU-GJZGRUSLSA-N 0 0 317.433 0.963 10 0 DCAERN CCCS(=O)(=O)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000249702651 257107055 /nfs/dbraw/zinc/10/70/55/257107055.db2.gz ZCLQKNGXVTYJKP-UONOGXRCSA-N 0 0 323.418 0.712 10 0 DCAERN Cn1ccnc1CN1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1 ZINC000248124934 257108568 /nfs/dbraw/zinc/10/85/68/257108568.db2.gz LKBROCNAXDDPGU-HUUCEWRRSA-N 0 0 311.389 0.906 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3sccc3C)C[C@H]2N1C ZINC000248004899 257111399 /nfs/dbraw/zinc/11/13/99/257111399.db2.gz BQBNDJWDGMVXBW-SDDRHHMPSA-N 0 0 307.419 0.947 10 0 DCAERN COCCNC(=O)[C@@H]1CN(c2ccc(C)nn2)C[C@@H]2OCC[C@@H]21 ZINC000247942245 257114311 /nfs/dbraw/zinc/11/43/11/257114311.db2.gz UYXVCSNYHYXTBF-MCIONIFRSA-N 0 0 320.393 0.389 10 0 DCAERN COCC(=O)N1C[C@H](C(=O)N2CCCCO2)C[C@@H]2OCC[C@@H]21 ZINC000247869556 257115013 /nfs/dbraw/zinc/11/50/13/257115013.db2.gz ZBPZCMOBPKEGRG-AGIUHOORSA-N 0 0 312.366 0.193 10 0 DCAERN COCCNC(=O)C[C@@]12COC[C@@H]1CN(c1ncc(F)cn1)C2 ZINC000247827326 257116978 /nfs/dbraw/zinc/11/69/78/257116978.db2.gz GHNLKXYXXHPCBX-XHDPSFHLSA-N 0 0 324.356 0.221 10 0 DCAERN COCC(=O)NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000247810031 257117953 /nfs/dbraw/zinc/11/79/53/257117953.db2.gz CBKIRRFFGVBWBY-CQSZACIVSA-N 0 0 304.350 0.796 10 0 DCAERN O=C(NC1CC1)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21 ZINC000247732213 257118259 /nfs/dbraw/zinc/11/82/59/257118259.db2.gz HZTGITZNIAUOMC-UPJWGTAASA-N 0 0 306.341 0.736 10 0 DCAERN CS(=O)(=O)N1Cc2cncn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000247563530 257118817 /nfs/dbraw/zinc/11/88/17/257118817.db2.gz ZNBVXJMFLYMCFB-GFCCVEGCSA-N 0 0 324.362 0.109 10 0 DCAERN CS(=O)(=O)N1CC[C@H]2OCCN(Cc3cccnc3)[C@@H]2C1 ZINC000247496564 257119040 /nfs/dbraw/zinc/11/90/40/257119040.db2.gz DDYULKRCSPLZQZ-ZIAGYGMSSA-N 0 0 311.407 0.316 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000187012947 533580680 /nfs/dbraw/zinc/58/06/80/533580680.db2.gz ROGNKDGAUXOAAO-LBPRGKRZSA-N 0 0 305.378 0.474 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(C)C(=O)[C@H]2C)cc1 ZINC000187012923 533581734 /nfs/dbraw/zinc/58/17/34/533581734.db2.gz ROGNKDGAUXOAAO-GFCCVEGCSA-N 0 0 305.378 0.474 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188727070 533624428 /nfs/dbraw/zinc/62/44/28/533624428.db2.gz ZAYTXRMFTDLJBN-CYBMUJFWSA-N 0 0 322.405 0.771 10 0 DCAERN COCc1ccc(CN2CCO[C@H](CN(C)CC(N)=O)C2)cc1 ZINC000275804807 130388279 /nfs/dbraw/zinc/38/82/79/130388279.db2.gz TVGCCJUKHBMQRB-MRXNPFEDSA-N 0 0 321.421 0.451 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000283778499 131022222 /nfs/dbraw/zinc/02/22/22/131022222.db2.gz KNZHVWNAPISKDY-KOLCDFICSA-N 0 0 306.370 0.294 10 0 DCAERN NC(=O)C[C@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284442137 131080740 /nfs/dbraw/zinc/08/07/40/131080740.db2.gz ZQFLFQPJJGWOPF-GFCCVEGCSA-N 0 0 318.377 0.993 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000284519121 131088505 /nfs/dbraw/zinc/08/85/05/131088505.db2.gz FQKRTHQIZCUODB-UONOGXRCSA-N 0 0 310.369 0.866 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2ncnc3cccc(F)c32)C1 ZINC000284587290 131095268 /nfs/dbraw/zinc/09/52/68/131095268.db2.gz PZZVGXDIRNSVNO-CQSZACIVSA-N 0 0 300.297 0.985 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000284625673 131097536 /nfs/dbraw/zinc/09/75/36/131097536.db2.gz PPQBGDHBPRCVHU-UTUOFQBUSA-N 0 0 319.409 0.673 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2cnn(-c3ccccc3)n2)C1 ZINC000284671363 131103248 /nfs/dbraw/zinc/10/32/48/131103248.db2.gz XBVXJJLLJVDCLJ-KBPBESRZSA-N 0 0 301.350 0.342 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000285095111 131138097 /nfs/dbraw/zinc/13/80/97/131138097.db2.gz GVRMZNVEBSHMNM-UHFFFAOYSA-N 0 0 322.394 0.029 10 0 DCAERN COc1cccc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c1F ZINC000285126458 131140343 /nfs/dbraw/zinc/14/03/43/131140343.db2.gz NUBSCJDHMBMWMN-WDEREUQCSA-N 0 0 306.297 0.796 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000285404128 131165366 /nfs/dbraw/zinc/16/53/66/131165366.db2.gz HCHBGUJGFKOTDF-USBNGQNGSA-N 0 0 324.327 0.907 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC000285426712 131167558 /nfs/dbraw/zinc/16/75/58/131167558.db2.gz IGLZXENCKBOLJJ-AWEZNQCLSA-N 0 0 307.354 0.384 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000285497907 131174499 /nfs/dbraw/zinc/17/44/99/131174499.db2.gz MAUMRFUSMCSLIG-MRXNPFEDSA-N 0 0 306.337 0.696 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000285585441 131183665 /nfs/dbraw/zinc/18/36/65/131183665.db2.gz QQHHIGPINWOGKO-IEVXNVSRSA-N 0 0 324.327 0.907 10 0 DCAERN CCc1cnccc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000136408659 545806494 /nfs/dbraw/zinc/80/64/94/545806494.db2.gz MQBUUVDAHMCVAM-GFCCVEGCSA-N 0 0 311.407 0.798 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122273529 132162775 /nfs/dbraw/zinc/16/27/75/132162775.db2.gz UMXVAKAYSSSWMQ-NSHDSACASA-N 0 0 304.412 0.184 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c1 ZINC000151594475 545817911 /nfs/dbraw/zinc/81/79/11/545817911.db2.gz BWCDUIBGTYWTNY-OLZOCXBDSA-N 0 0 307.398 0.925 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1)N1CCCC1 ZINC000014054195 395689084 /nfs/dbraw/zinc/68/90/84/395689084.db2.gz GUKZSSMRIQSEJF-GFCCVEGCSA-N 0 0 303.362 0.850 10 0 DCAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2ccccc2C1=O ZINC000000267101 395680246 /nfs/dbraw/zinc/68/02/46/395680246.db2.gz RGYPJMHFLPPUMD-QWRGUYRKSA-N 0 0 302.330 0.966 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCC(=O)NC(C)C ZINC000087055429 395705534 /nfs/dbraw/zinc/70/55/34/395705534.db2.gz KHPOUSUOPIFUJC-NSHDSACASA-N 0 0 322.413 0.889 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000087024604 395705568 /nfs/dbraw/zinc/70/55/68/395705568.db2.gz VYVRWCRRYTZNAJ-JTQLQIEISA-N 0 0 308.386 0.501 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089169495 395708836 /nfs/dbraw/zinc/70/88/36/395708836.db2.gz UJQNCFJYMITNIK-WPRPVWTQSA-N 0 0 317.367 0.026 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@H](C)[C@H](O)C1)N1CCCS1(=O)=O ZINC000089403255 395710886 /nfs/dbraw/zinc/71/08/86/395710886.db2.gz BCUYZCSDJXEFFZ-YNEHKIRRSA-N 0 0 318.439 0.276 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)co1 ZINC000089415586 395711247 /nfs/dbraw/zinc/71/12/47/395711247.db2.gz JHDUZZKISZEMLF-PSASIEDQSA-N 0 0 302.352 0.031 10 0 DCAERN C[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1O ZINC000089419742 395711270 /nfs/dbraw/zinc/71/12/70/395711270.db2.gz MVFDFCJQBNHQMD-DGCLKSJQSA-N 0 0 303.424 0.963 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000089429453 395711819 /nfs/dbraw/zinc/71/18/19/395711819.db2.gz XFFUHVZDQOBLPQ-PSASIEDQSA-N 0 0 305.334 0.678 10 0 DCAERN O=C(COc1ccc(F)cc1Cl)N[C@H]1CCC(=O)NC1=O ZINC000089754318 395714910 /nfs/dbraw/zinc/71/49/10/395714910.db2.gz JFJXCYZUCGNGHJ-VIFPVBQESA-N 0 0 314.700 0.779 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1CCCNC1=O ZINC000090498418 395719087 /nfs/dbraw/zinc/71/90/87/395719087.db2.gz KXYANEFRTZKPGU-HNNXBMFYSA-N 0 0 317.389 0.472 10 0 DCAERN CCOC(=O)[C@@H](CC)S(=O)(=O)Cc1nnc(C)n1CC ZINC000090989479 395719978 /nfs/dbraw/zinc/71/99/78/395719978.db2.gz FVJJXABMHKIDPH-SNVBAGLBSA-N 0 0 303.384 0.863 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1N ZINC000036869457 395724614 /nfs/dbraw/zinc/72/46/14/395724614.db2.gz RTXLBEWJVXMLOQ-VIFPVBQESA-N 0 0 304.393 0.076 10 0 DCAERN CNC(=O)c1ccc(CNC(=O)NCc2ccnn2C)cc1 ZINC000026394778 395694267 /nfs/dbraw/zinc/69/42/67/395694267.db2.gz XRMAKEHNKOPCRW-UHFFFAOYSA-N 0 0 301.350 0.779 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000028735744 395696215 /nfs/dbraw/zinc/69/62/15/395696215.db2.gz WOVFBIIPDGALLE-NSHDSACASA-N 0 0 315.377 0.960 10 0 DCAERN O=C1NC(=O)[C@]2(CCN(S(=O)(=O)CC3CCCCC3)C2)N1 ZINC000084796542 395699317 /nfs/dbraw/zinc/69/93/17/395699317.db2.gz JCVHPKJYUYETAP-CYBMUJFWSA-N 0 0 315.395 0.180 10 0 DCAERN C[C@H](NC(=O)Cn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000040216125 395732930 /nfs/dbraw/zinc/73/29/30/395732930.db2.gz CBBBGYOYRFOBCZ-JTQLQIEISA-N 0 0 308.363 0.408 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000040220862 395733472 /nfs/dbraw/zinc/73/34/72/395733472.db2.gz NJZGSQHDPQPDJQ-NSHDSACASA-N 0 0 312.395 0.724 10 0 DCAERN CC(C)CC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000043618742 395753761 /nfs/dbraw/zinc/75/37/61/395753761.db2.gz VVPYLBHOYCJTAJ-AWEZNQCLSA-N 0 0 311.426 0.424 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097142432 395754931 /nfs/dbraw/zinc/75/49/31/395754931.db2.gz OLWCKTTWTHJAAN-GFCCVEGCSA-N 0 0 308.363 0.657 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccnc1N(C)C ZINC000042994724 395751191 /nfs/dbraw/zinc/75/11/91/395751191.db2.gz FSFSDTZFSZTOPC-UHFFFAOYSA-N 0 0 323.422 0.976 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@H](O)CO)O[C@H](OCc3ccccc3)[C@H]2O1 ZINC000106403185 395782432 /nfs/dbraw/zinc/78/24/32/395782432.db2.gz NKCNUNUEQRYLNZ-ZSAUSMIDSA-N 0 0 310.346 0.801 10 0 DCAERN CC[C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938977 395782767 /nfs/dbraw/zinc/78/27/67/395782767.db2.gz BSYWSFIBVGBGDD-RKDXNWHRSA-N 0 0 305.425 0.990 10 0 DCAERN C[C@@H]1CN(C(=O)c2nc3cccnc3s2)CCS1(=O)=O ZINC000193953377 395783692 /nfs/dbraw/zinc/78/36/92/395783692.db2.gz KOANTIPIXSKCMD-MRVPVSSYSA-N 0 0 311.388 0.950 10 0 DCAERN Cc1cc2c(cc1CN1CC[NH2+]C[C@H](C(=O)[O-])C1)OCCO2 ZINC000097547565 395758810 /nfs/dbraw/zinc/75/88/10/395758810.db2.gz CTUPRXFJHMRQAG-ZDUSSCGKSA-N 0 0 306.362 0.872 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193572370 395771865 /nfs/dbraw/zinc/77/18/65/395771865.db2.gz CKQKZHWNMZMFGX-LLVKDONJSA-N 0 0 304.350 0.374 10 0 DCAERN CC(C)C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCOCC1 ZINC000046194671 395772742 /nfs/dbraw/zinc/77/27/42/395772742.db2.gz ZIMJNEBKEIKELP-KBPBESRZSA-N 0 0 311.426 0.328 10 0 DCAERN Cn1cc(NC(=O)Cc2ccc(Cl)s2)c(=O)n(C)c1=O ZINC000193672211 395776744 /nfs/dbraw/zinc/77/67/44/395776744.db2.gz BVEKDKWDCGXAHE-UHFFFAOYSA-N 0 0 313.766 0.980 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000270510048 395778363 /nfs/dbraw/zinc/77/83/63/395778363.db2.gz OHFHTXFXOBFBKG-NSHDSACASA-N 0 0 311.349 0.682 10 0 DCAERN CN(CCn1cccn1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000111037464 395802867 /nfs/dbraw/zinc/80/28/67/395802867.db2.gz YLWDXBQWHYWPOW-CQSZACIVSA-N 0 0 315.377 0.621 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000194718115 395804174 /nfs/dbraw/zinc/80/41/74/395804174.db2.gz ORPDFCZIVXXKSS-LBPRGKRZSA-N 0 0 311.407 0.419 10 0 DCAERN Cn1cc(NC(=O)NCCNC(=O)c2ccccc2)ccc1=O ZINC000194763730 395807612 /nfs/dbraw/zinc/80/76/12/395807612.db2.gz QQWYMOQWKQGJNY-UHFFFAOYSA-N 0 0 314.345 0.937 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc(N2CCCC2)ccn1 ZINC000194937816 395811720 /nfs/dbraw/zinc/81/17/20/395811720.db2.gz XATCXWQKNINIOU-HNNXBMFYSA-N 0 0 315.421 0.411 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)NCCS(C)(=O)=O)C2)c1 ZINC000111750176 395812442 /nfs/dbraw/zinc/81/24/42/395812442.db2.gz AUSVZJYQMTUSHZ-LBPRGKRZSA-N 0 0 314.411 0.583 10 0 DCAERN NC(=O)N1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000111688383 395812591 /nfs/dbraw/zinc/81/25/91/395812591.db2.gz LAJPMAQWMIPLTR-KGLIPLIRSA-N 0 0 324.425 0.243 10 0 DCAERN O=C(NCCCn1cccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111813532 395814427 /nfs/dbraw/zinc/81/44/27/395814427.db2.gz OTMKKBLJQQEZNK-CQSZACIVSA-N 0 0 318.381 0.580 10 0 DCAERN C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000195217504 395821582 /nfs/dbraw/zinc/82/15/82/395821582.db2.gz WDDWHEOFKCMZMP-ZWNOBZJWSA-N 0 0 312.391 0.772 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000195333475 395825693 /nfs/dbraw/zinc/82/56/93/395825693.db2.gz XOPUWRJXMFUDLX-LBPRGKRZSA-N 0 0 300.424 0.650 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@]3(O)CCSC3)C2)n[nH]1 ZINC000271002046 395829442 /nfs/dbraw/zinc/82/94/42/395829442.db2.gz QIZPZMSBDRKEMX-LKFCYVNXSA-N 0 0 324.406 0.083 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115270 395860149 /nfs/dbraw/zinc/86/01/49/395860149.db2.gz MVYMQFSVDUDAOU-LLVKDONJSA-N 0 0 309.341 0.519 10 0 DCAERN Cc1sc(=O)n(CCC(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000115351403 395839401 /nfs/dbraw/zinc/83/94/01/395839401.db2.gz YLBDSZHHMPSCFG-LBPRGKRZSA-N 0 0 313.423 0.364 10 0 DCAERN CCN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H](C)c1cccnc1 ZINC000115471832 395840199 /nfs/dbraw/zinc/84/01/99/395840199.db2.gz GIEGECCPISBDLK-NSHDSACASA-N 0 0 304.350 0.885 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000115451122 395840248 /nfs/dbraw/zinc/84/02/48/395840248.db2.gz PIHIWNKCLZIULR-UHFFFAOYSA-N 0 0 321.352 0.762 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116120640 395842370 /nfs/dbraw/zinc/84/23/70/395842370.db2.gz QCUPBCWBFCYPKF-GFCCVEGCSA-N 0 0 313.423 0.807 10 0 DCAERN CN1CC[C@H](N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000116278268 395842795 /nfs/dbraw/zinc/84/27/95/395842795.db2.gz HLCGVXKBNXFGHK-HNNXBMFYSA-N 0 0 319.453 0.986 10 0 DCAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NC(C)(C)C)C2)cn1 ZINC000116318821 395842805 /nfs/dbraw/zinc/84/28/05/395842805.db2.gz ZNKAFNSNAYRNRM-LLVKDONJSA-N 0 0 307.398 0.834 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000225486693 395860518 /nfs/dbraw/zinc/86/05/18/395860518.db2.gz SZMOZMFTWDXSHS-AWEZNQCLSA-N 0 0 314.744 0.860 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116419337 395843834 /nfs/dbraw/zinc/84/38/34/395843834.db2.gz BCGHZWXRGVFGST-ZIAGYGMSSA-N 0 0 321.425 0.640 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1F ZINC000116832574 395847113 /nfs/dbraw/zinc/84/71/13/395847113.db2.gz FVBSXSFCWAVGBR-NSHDSACASA-N 0 0 300.355 0.898 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccnc2Cl)C1 ZINC000116834621 395847992 /nfs/dbraw/zinc/84/79/92/395847992.db2.gz OSZIEOZOPVAJLG-QMMMGPOBSA-N 0 0 303.771 0.499 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)CNC(C)=O)C2)c1 ZINC000117180082 395851194 /nfs/dbraw/zinc/85/11/94/395851194.db2.gz WVUQNQWUFRWPEC-ZDUSSCGKSA-N 0 0 305.378 0.916 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)N[C@@H]2CCOc3ccccc32)CCO1 ZINC000051676284 395853012 /nfs/dbraw/zinc/85/30/12/395853012.db2.gz LOYJHACSTGDCHF-DGCLKSJQSA-N 0 0 305.334 0.406 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000117818833 395855218 /nfs/dbraw/zinc/85/52/18/395855218.db2.gz IXNQLDGMYDWIRV-FZMZJTMJSA-N 0 0 308.407 0.762 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000117816792 395855287 /nfs/dbraw/zinc/85/52/87/395855287.db2.gz PLMKYMZWIXICRD-UHFFFAOYSA-N 0 0 300.318 0.952 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264567 395797439 /nfs/dbraw/zinc/79/74/39/395797439.db2.gz PRDDRJKXPRRYMO-OAHLLOKOSA-N 0 0 306.362 0.715 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000194594517 395800513 /nfs/dbraw/zinc/80/05/13/395800513.db2.gz MVABXCTXBOXKLJ-QWHCGFSZSA-N 0 0 316.423 0.582 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ccnn1C ZINC000234620360 395890275 /nfs/dbraw/zinc/89/02/75/395890275.db2.gz HDJUEFTVGODINS-GHMZBOCLSA-N 0 0 301.368 0.181 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCc1cscn1 ZINC000234617660 395890288 /nfs/dbraw/zinc/89/02/88/395890288.db2.gz LMXANQWUZJQMDO-WDEREUQCSA-N 0 0 318.420 0.947 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000054455705 395900132 /nfs/dbraw/zinc/90/01/32/395900132.db2.gz QZGDKGTUBJFQNV-NWDGAFQWSA-N 0 0 304.412 0.486 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C)C1 ZINC000054484085 395901394 /nfs/dbraw/zinc/90/13/94/395901394.db2.gz LEXDBLVKNMTCTJ-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN COCCS(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000124881342 395901744 /nfs/dbraw/zinc/90/17/44/395901744.db2.gz WYRFSBBEAIPSRG-UHFFFAOYSA-N 0 0 301.290 0.505 10 0 DCAERN CCc1nnc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)o1 ZINC000054994410 395908957 /nfs/dbraw/zinc/90/89/57/395908957.db2.gz VYTPHCOLQQIMBJ-LBPRGKRZSA-N 0 0 308.382 0.703 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)[C@@H]1CCCCS1(=O)=O ZINC000273274318 395910750 /nfs/dbraw/zinc/91/07/50/395910750.db2.gz PAXGBRTWAXERIE-JTQLQIEISA-N 0 0 308.363 0.944 10 0 DCAERN Cn1nccc1CCC(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000126197209 395911153 /nfs/dbraw/zinc/91/11/53/395911153.db2.gz RNIBRPPJIKGZBK-UHFFFAOYSA-N 0 0 303.318 0.822 10 0 DCAERN CC[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nccs1 ZINC000131685745 395924883 /nfs/dbraw/zinc/92/48/83/395924883.db2.gz KYBHXTXSWMVVRA-VIFPVBQESA-N 0 0 308.363 0.271 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)N1CCC[C@H]1CO ZINC000118568133 395863081 /nfs/dbraw/zinc/86/30/81/395863081.db2.gz YODJLQGBYBZTQV-ZDUSSCGKSA-N 0 0 301.350 0.934 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000227249621 395868590 /nfs/dbraw/zinc/86/85/90/395868590.db2.gz KGOWVMHJSPBFBM-MNOVXSKESA-N 0 0 303.380 0.115 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000227643292 395869200 /nfs/dbraw/zinc/86/92/00/395869200.db2.gz HDAACCQWDKWEMX-CMPLNLGQSA-N 0 0 304.412 0.030 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(N)nc(N)n1 ZINC000245437643 395928724 /nfs/dbraw/zinc/92/87/24/395928724.db2.gz DYKNVOFXFQYZJU-BBBLOLIVSA-N 0 0 306.370 0.342 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)N1CC(CO)C1)CC2 ZINC000122426355 395886107 /nfs/dbraw/zinc/88/61/07/395886107.db2.gz SHYSAZLXPSEPAN-UHFFFAOYSA-N 0 0 320.389 0.513 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1C ZINC000245699996 395934472 /nfs/dbraw/zinc/93/44/72/395934472.db2.gz NCWCTFGZISGRRX-IMJJTQAJSA-N 0 0 306.406 0.908 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1 ZINC000245909086 395938441 /nfs/dbraw/zinc/93/84/41/395938441.db2.gz UWNPIQVXXDRXCN-MCIONIFRSA-N 0 0 322.409 0.813 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1O ZINC000246024504 395940074 /nfs/dbraw/zinc/94/00/74/395940074.db2.gz WJMHLKQPIPHJCX-TUAOUCFPSA-N 0 0 304.412 0.220 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000246047466 395940207 /nfs/dbraw/zinc/94/02/07/395940207.db2.gz BYNSWMDGHYYTSB-LSDHHAIUSA-N 0 0 317.389 0.629 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000246077091 395941065 /nfs/dbraw/zinc/94/10/65/395941065.db2.gz FSDITXXDSZCKJF-QWHCGFSZSA-N 0 0 300.380 0.057 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000135527945 395941244 /nfs/dbraw/zinc/94/12/44/395941244.db2.gz NFYSJWFXKKVHFU-QMMMGPOBSA-N 0 0 303.771 0.989 10 0 DCAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000135574661 395941269 /nfs/dbraw/zinc/94/12/69/395941269.db2.gz DACYHCNQMOFLGI-RISCZKNCSA-N 0 0 324.425 0.329 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000246195391 395943960 /nfs/dbraw/zinc/94/39/60/395943960.db2.gz KECJOFBWESRYOP-ZIAGYGMSSA-N 0 0 310.442 0.981 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000274410105 395945813 /nfs/dbraw/zinc/94/58/13/395945813.db2.gz GQCIENYOWYJBGN-TZMCWYRMSA-N 0 0 320.393 0.579 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)n1 ZINC000274432938 395947674 /nfs/dbraw/zinc/94/76/74/395947674.db2.gz QQXZCKGGFFSORI-AWEZNQCLSA-N 0 0 306.322 0.204 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)on1 ZINC000246404487 395949152 /nfs/dbraw/zinc/94/91/52/395949152.db2.gz JSACFHDYYHAXPK-YPMHNXCESA-N 0 0 308.382 0.574 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccnc1 ZINC000246438403 395949929 /nfs/dbraw/zinc/94/99/29/395949929.db2.gz WGNRCLVOUWAELN-VNHYZAJKSA-N 0 0 303.362 0.896 10 0 DCAERN CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@H]2C(N)=O)n1 ZINC000246451762 395950878 /nfs/dbraw/zinc/95/08/78/395950878.db2.gz NSTDMJWFJQYLFJ-QWRGUYRKSA-N 0 0 312.370 0.489 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N[C@H]1CCc2ncnn2C1 ZINC000137248629 395951056 /nfs/dbraw/zinc/95/10/56/395951056.db2.gz WBVXXDIOYLSGAH-ZDUSSCGKSA-N 0 0 323.360 0.668 10 0 DCAERN COCCCS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246612847 395954358 /nfs/dbraw/zinc/95/43/58/395954358.db2.gz XAKZSTTZSASUKE-CHWSQXEVSA-N 0 0 306.428 0.005 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000246809231 395957609 /nfs/dbraw/zinc/95/76/09/395957609.db2.gz ZOFBUSKDWHFRDX-CHWSQXEVSA-N 0 0 317.411 0.257 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246817528 395958523 /nfs/dbraw/zinc/95/85/23/395958523.db2.gz YWWSTERDMHAUPW-KGLIPLIRSA-N 0 0 306.472 0.587 10 0 DCAERN C[C@H](Nc1cc(C(N)=O)nc(-c2ccnc(F)c2)n1)C(N)=O ZINC000142605109 395959784 /nfs/dbraw/zinc/95/97/84/395959784.db2.gz VWSNRWKQOWBLRA-LURJTMIESA-N 0 0 304.285 0.062 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000152090457 396000282 /nfs/dbraw/zinc/00/02/82/396000282.db2.gz LIEDSVRQXYTJTI-UHFFFAOYSA-N 0 0 319.409 0.928 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)C[C@H](C)O)CC2 ZINC000246959061 395961670 /nfs/dbraw/zinc/96/16/70/395961670.db2.gz GAQKSZKPWMZGRR-SDDRHHMPSA-N 0 0 309.414 0.862 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](C)C[C@H](C)O)CC2 ZINC000246959047 395961705 /nfs/dbraw/zinc/96/17/05/395961705.db2.gz GAQKSZKPWMZGRR-GRYCIOLGSA-N 0 0 309.414 0.862 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000248914847 396000426 /nfs/dbraw/zinc/00/04/26/396000426.db2.gz CVVAQHAATHLCBA-WSVYEEACSA-N 0 0 317.455 0.844 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000247030235 395964512 /nfs/dbraw/zinc/96/45/12/395964512.db2.gz GICPGVAYKFVLNZ-JIMOISOXSA-N 0 0 312.391 0.377 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247080562 395965269 /nfs/dbraw/zinc/96/52/69/395965269.db2.gz HTZQMZVDWRRREB-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cc3nc(N)nc(N(C)C)n3)[C@@H]2C1 ZINC000247080936 395965809 /nfs/dbraw/zinc/96/58/09/395965809.db2.gz VYEVSGMPGNEPAX-IJLUTSLNSA-N 0 0 322.413 0.288 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067343 395966086 /nfs/dbraw/zinc/96/60/86/395966086.db2.gz KNHOECWSGOSFKO-BXKDBHETSA-N 0 0 320.361 0.622 10 0 DCAERN Ic1cncnc1NN1CCOCC1 ZINC000148480575 395968884 /nfs/dbraw/zinc/96/88/84/395968884.db2.gz OYIRKEFAQHUJON-UHFFFAOYSA-N 0 0 306.107 0.740 10 0 DCAERN C[C@H](CN1CCOCC1)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000150723258 395971813 /nfs/dbraw/zinc/97/18/13/395971813.db2.gz YVAHGLXGBBGGHW-GFCCVEGCSA-N 0 0 303.362 0.658 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734278 395978036 /nfs/dbraw/zinc/97/80/36/395978036.db2.gz MNWQSGBQURXRQC-OLZOCXBDSA-N 0 0 307.398 0.977 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CC[C@@H](O)C3)C2)cn1 ZINC000248971880 396001280 /nfs/dbraw/zinc/00/12/80/396001280.db2.gz SJKIJJZBPQMEDT-KCQAQPDRSA-N 0 0 321.425 0.849 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000151236143 395981761 /nfs/dbraw/zinc/98/17/61/395981761.db2.gz XLWPKNIJRZJJNY-JTQLQIEISA-N 0 0 314.349 0.599 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)CNC(C)=O)C1 ZINC000151371992 395984104 /nfs/dbraw/zinc/98/41/04/395984104.db2.gz SJJFOMQWRIQWMO-HUUCEWRRSA-N 0 0 318.373 0.928 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)NCC3CC3)CC2)n1 ZINC000064248368 395985122 /nfs/dbraw/zinc/98/51/22/395985122.db2.gz XKIXMJFYCNFCST-UHFFFAOYSA-N 0 0 305.382 0.133 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nncn1C ZINC000151575989 395988344 /nfs/dbraw/zinc/98/83/44/395988344.db2.gz RVFAKUAAEPVGPU-VIFPVBQESA-N 0 0 321.410 0.712 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)NCCc1nnc2n1CCC2 ZINC000065010907 395990853 /nfs/dbraw/zinc/99/08/53/395990853.db2.gz BCYLCVSJXOZRPM-NSHDSACASA-N 0 0 319.409 0.578 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccnn2C)n1 ZINC000151747462 395991039 /nfs/dbraw/zinc/99/10/39/395991039.db2.gz IRZRBVHETQEMCS-UHFFFAOYSA-N 0 0 318.381 0.918 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000276380094 395991462 /nfs/dbraw/zinc/99/14/62/395991462.db2.gz WNDYMMXWCPUPSU-LLVKDONJSA-N 0 0 322.745 0.090 10 0 DCAERN CCCNC(=O)N1CCN(c2cnn3c(c2)nnc3CC)CC1 ZINC000065282331 395992427 /nfs/dbraw/zinc/99/24/27/395992427.db2.gz YGOWDTOXNPFILG-UHFFFAOYSA-N 0 0 317.397 0.928 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC(=O)NCC2(C)CCC2)c1 ZINC000151827873 395994247 /nfs/dbraw/zinc/99/42/47/395994247.db2.gz UXOMYMWNXZOUIB-UHFFFAOYSA-N 0 0 300.384 0.005 10 0 DCAERN CCS[C@H](C)c1noc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000151865463 395994888 /nfs/dbraw/zinc/99/48/88/395994888.db2.gz CTAWIYTVKFMTIA-BBBLOLIVSA-N 0 0 314.411 0.958 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276424466 395995315 /nfs/dbraw/zinc/99/53/15/395995315.db2.gz CHRSQIZOJZZSML-GFCCVEGCSA-N 0 0 313.151 0.511 10 0 DCAERN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)[C@H](C)CO ZINC000151894412 395995707 /nfs/dbraw/zinc/99/57/07/395995707.db2.gz FPKDDHSFOYAITA-GHMZBOCLSA-N 0 0 304.350 0.315 10 0 DCAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000248734893 395995977 /nfs/dbraw/zinc/99/59/77/395995977.db2.gz MSEVHNSDVFIFMA-PWSUYJOCSA-N 0 0 306.341 0.854 10 0 DCAERN CN1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c2ccccc21 ZINC000249083792 396002155 /nfs/dbraw/zinc/00/21/55/396002155.db2.gz ICCLCHYMPPFEQW-UGFHNGPFSA-N 0 0 317.389 0.759 10 0 DCAERN Cc1nnc([C@H]2CN([C@H](C)c3nnnn3C3CC3)CCO2)[nH]1 ZINC000248815894 395997643 /nfs/dbraw/zinc/99/76/43/395997643.db2.gz DODONDIPZHXABD-LDYMZIIASA-N 0 0 304.358 0.569 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCCC(N)=O)[C@@H]1c1ccc(F)cc1 ZINC000153402209 396023896 /nfs/dbraw/zinc/02/38/96/396023896.db2.gz BDYWPQBYNMXURH-WFASDCNBSA-N 0 0 321.352 0.727 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153401014 396024417 /nfs/dbraw/zinc/02/44/17/396024417.db2.gz ZGUBCUOFCNGHCX-RYUDHWBXSA-N 0 0 316.423 0.327 10 0 DCAERN O=C1CCCN1c1ccc(OC[C@H](O)CN2CCOCC2)cc1 ZINC000153667647 396024993 /nfs/dbraw/zinc/02/49/93/396024993.db2.gz YNGNJPTWFVJYHB-OAHLLOKOSA-N 0 0 320.389 0.885 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1cccc(Cl)c1 ZINC000253119521 396025489 /nfs/dbraw/zinc/02/54/89/396025489.db2.gz OFSLEPSQYIPAFL-HZSPNIEDSA-N 0 0 310.781 0.873 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)C[C@H]1CO ZINC000253410960 396027149 /nfs/dbraw/zinc/02/71/49/396027149.db2.gz OAGMMJCMOPFLQP-WCQYABFASA-N 0 0 310.781 0.695 10 0 DCAERN Cc1nn(C)cc1C(=O)N1C[C@@H](c2ccncc2)[C@H](CO)C1 ZINC000253398839 396027211 /nfs/dbraw/zinc/02/72/11/396027211.db2.gz CILRGSKJKDTQKJ-ZFWWWQNUSA-N 0 0 300.362 0.972 10 0 DCAERN COc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154111533 396031113 /nfs/dbraw/zinc/03/11/13/396031113.db2.gz BROCBDHUENFUQB-AWEZNQCLSA-N 0 0 308.378 0.047 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCOC2(CCC2)C1 ZINC000154171981 396033641 /nfs/dbraw/zinc/03/36/41/396033641.db2.gz CXEZLMMDDYOXGG-GFCCVEGCSA-N 0 0 309.410 0.367 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000154268072 396035096 /nfs/dbraw/zinc/03/50/96/396035096.db2.gz XRUYFPRCLYYHHD-LBPRGKRZSA-N 0 0 306.428 0.541 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@](C)(O)c2cccs2)CCC1=O ZINC000154426715 396037405 /nfs/dbraw/zinc/03/74/05/396037405.db2.gz MCPMUZNAVPAALS-HZMBPMFUSA-N 0 0 311.407 0.876 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CC[C@H](C)O)cc1 ZINC000154849316 396042967 /nfs/dbraw/zinc/04/29/67/396042967.db2.gz TWLLBUMPUWBYON-JTQLQIEISA-N 0 0 300.380 0.438 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2cccs2)CCS1(=O)=O ZINC000155502217 396052382 /nfs/dbraw/zinc/05/23/82/396052382.db2.gz QJHVNTIRIQBKCM-JTQLQIEISA-N 0 0 302.421 0.483 10 0 DCAERN C[C@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000068368739 396053715 /nfs/dbraw/zinc/05/37/15/396053715.db2.gz AENLNWAWEJQJTF-ZNPWSYNXSA-N 0 0 309.366 0.391 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cn(-c2ccccc2)nn1 ZINC000155963601 396060197 /nfs/dbraw/zinc/06/01/97/396060197.db2.gz YGPWIHIPPAANOO-VXGBXAGGSA-N 0 0 313.361 0.923 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000156266532 396061072 /nfs/dbraw/zinc/06/10/72/396061072.db2.gz RVXTWBNOSOOEQK-WDEREUQCSA-N 0 0 312.801 0.791 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)cn1 ZINC000261773486 396064132 /nfs/dbraw/zinc/06/41/32/396064132.db2.gz SMDORMUFPHWEPD-AWEZNQCLSA-N 0 0 321.406 0.633 10 0 DCAERN COC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1 ZINC000066340586 396005747 /nfs/dbraw/zinc/00/57/47/396005747.db2.gz PDCFJFZUWWPZLO-CYBMUJFWSA-N 0 0 304.346 0.857 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CCN1CCO ZINC000249955212 396013537 /nfs/dbraw/zinc/01/35/37/396013537.db2.gz JDNRUWUPDVQUHY-XHDPSFHLSA-N 0 0 308.353 0.654 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3C[C@H](O)C3(C)C)C2)cn1 ZINC000251701157 396017141 /nfs/dbraw/zinc/01/71/41/396017141.db2.gz JDLWBBLFOFXBOW-YUTCNCBUSA-N 0 0 321.425 0.848 10 0 DCAERN CCCNC(=O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000252054509 396019125 /nfs/dbraw/zinc/01/91/25/396019125.db2.gz COEFIMIYAOSXBR-LBPRGKRZSA-N 0 0 309.414 0.837 10 0 DCAERN O=C1CC[C@@H](Nc2ncc(I)cn2)CN1 ZINC000165189322 396087267 /nfs/dbraw/zinc/08/72/67/396087267.db2.gz GYTRTNGENXCLPU-SSDOTTSWSA-N 0 0 318.118 0.772 10 0 DCAERN COCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)CC[C@@H]1CO ZINC000169786477 396092650 /nfs/dbraw/zinc/09/26/50/396092650.db2.gz OEEXXUKFDOOWST-TZMCWYRMSA-N 0 0 323.393 0.036 10 0 DCAERN CNC(=O)CCN(C)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000170797655 396098018 /nfs/dbraw/zinc/09/80/18/396098018.db2.gz GRDUJYPJANCIFP-UHFFFAOYSA-N 0 0 305.378 0.628 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000070229464 396100791 /nfs/dbraw/zinc/10/07/91/396100791.db2.gz MMHWAQUMDGSMLG-LBPRGKRZSA-N 0 0 314.411 0.572 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)C[C@H](C)O)cc1 ZINC000070303135 396101108 /nfs/dbraw/zinc/10/11/08/396101108.db2.gz BVXOAELJYXMMIL-JTQLQIEISA-N 0 0 301.364 0.403 10 0 DCAERN NCc1nc(CN2CCN(C(=O)NC3CCCCC3)CC2)no1 ZINC000262134101 396102909 /nfs/dbraw/zinc/10/29/09/396102909.db2.gz DHAWEBAKDGCUGV-UHFFFAOYSA-N 0 0 322.413 0.688 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171063429 396105582 /nfs/dbraw/zinc/10/55/82/396105582.db2.gz OBCHGIQDZZGWAQ-TZMCWYRMSA-N 0 0 313.357 0.583 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300610 396113691 /nfs/dbraw/zinc/11/36/91/396113691.db2.gz AUDCQJHZSLFHJY-GFCCVEGCSA-N 0 0 305.382 0.137 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1CCN(c2cccnn2)CC1 ZINC000171350851 396115061 /nfs/dbraw/zinc/11/50/61/396115061.db2.gz RIAUUDQALNNZDS-AWEZNQCLSA-N 0 0 303.410 1.000 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171704815 396122655 /nfs/dbraw/zinc/12/26/55/396122655.db2.gz TULNSHDKWOGTOW-NSHDSACASA-N 0 0 308.386 0.539 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000172141090 396128718 /nfs/dbraw/zinc/12/87/18/396128718.db2.gz RSPBVBXBEKDUOR-GHMZBOCLSA-N 0 0 304.412 0.279 10 0 DCAERN COCCS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000173892722 396136218 /nfs/dbraw/zinc/13/62/18/396136218.db2.gz JZXABJUUBIMADS-ZDUSSCGKSA-N 0 0 306.428 0.149 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000277666710 396080850 /nfs/dbraw/zinc/08/08/50/396080850.db2.gz XCJYMWNKQRKZAW-ZDUSSCGKSA-N 0 0 303.362 0.930 10 0 DCAERN CN1C[C@H](NC(=O)N2CCCN(CC(F)F)CC2)CCC1=O ZINC000162459800 396081410 /nfs/dbraw/zinc/08/14/10/396081410.db2.gz ZTJMNSCHXCEAIK-LLVKDONJSA-N 0 0 318.368 0.590 10 0 DCAERN CNC(=O)C1(C(=O)N2CCC(Cc3nccn3C)CC2)CC1 ZINC000162526062 396081603 /nfs/dbraw/zinc/08/16/03/396081603.db2.gz LUAZQVHKTLAVAJ-UHFFFAOYSA-N 0 0 304.394 0.727 10 0 DCAERN C[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1cn(-c2ccccc2)nn1 ZINC000261952228 396083297 /nfs/dbraw/zinc/08/32/97/396083297.db2.gz OMDPFUUPJVWRPI-ZOWXZIJZSA-N 0 0 315.377 0.821 10 0 DCAERN CCN1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162999034 396084964 /nfs/dbraw/zinc/08/49/64/396084964.db2.gz FNRGKXZCELLYPB-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000176290392 396154188 /nfs/dbraw/zinc/15/41/88/396154188.db2.gz JBXMEHOSSYALMC-OLZOCXBDSA-N 0 0 305.382 0.596 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000176459151 396155836 /nfs/dbraw/zinc/15/58/36/396155836.db2.gz ARVRMMXAOATTDS-RKDXNWHRSA-N 0 0 318.420 0.906 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000074055472 396156217 /nfs/dbraw/zinc/15/62/17/396156217.db2.gz FXKZHBXLVACYNV-AAEUAGOBSA-N 0 0 318.439 0.874 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000279188270 396157271 /nfs/dbraw/zinc/15/72/71/396157271.db2.gz DPKMZMKPNICMSE-UHFFFAOYSA-N 0 0 324.450 0.976 10 0 DCAERN Cc1ccc([C@@H](CNC(=O)c2cn[nH]n2)N2CCOCC2)s1 ZINC000176574365 396157561 /nfs/dbraw/zinc/15/75/61/396157561.db2.gz XOEUFLJXEBEMNA-GFCCVEGCSA-N 0 0 321.406 0.978 10 0 DCAERN COC(=O)CCOc1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000262616394 396163051 /nfs/dbraw/zinc/16/30/51/396163051.db2.gz LXQMXRDVHLIWOY-CYBMUJFWSA-N 0 0 308.334 0.555 10 0 DCAERN CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000074413607 396166308 /nfs/dbraw/zinc/16/63/08/396166308.db2.gz HHUCPBRQQMSDTR-STQMWFEESA-N 0 0 309.414 0.849 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)N1CCNC(=O)C1 ZINC000074500649 396168039 /nfs/dbraw/zinc/16/80/39/396168039.db2.gz NMWOHZFVTZUXHB-UHFFFAOYSA-N 0 0 323.422 0.427 10 0 DCAERN CC(C)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000279396183 396171893 /nfs/dbraw/zinc/17/18/93/396171893.db2.gz ZELAKUZYJLNTHZ-QMMMGPOBSA-N 0 0 309.750 0.662 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3COCCN3)CC2)s1 ZINC000262677038 396172038 /nfs/dbraw/zinc/17/20/38/396172038.db2.gz SYEXWHVWQIBZMX-GFCCVEGCSA-N 0 0 310.423 0.343 10 0 DCAERN C[C@H](SC[C@@H](O)CO)C(=O)NCCc1ccc(F)cc1 ZINC000177423346 396174930 /nfs/dbraw/zinc/17/49/30/396174930.db2.gz TYNOOWWDVQJMNF-GWCFXTLKSA-N 0 0 301.383 0.959 10 0 DCAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177437244 396175701 /nfs/dbraw/zinc/17/57/01/396175701.db2.gz ZRVDMSBMGXFSNK-RYUDHWBXSA-N 0 0 319.361 0.640 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629025 396180258 /nfs/dbraw/zinc/18/02/58/396180258.db2.gz KOSOZNPDFWGURG-NSHDSACASA-N 0 0 303.297 0.487 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@H](n2nc(C)nc2C)C1 ZINC000075602732 396181627 /nfs/dbraw/zinc/18/16/27/396181627.db2.gz YVRYEVVWUADCSD-LBPRGKRZSA-N 0 0 314.411 0.493 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000075775519 396187444 /nfs/dbraw/zinc/18/74/44/396187444.db2.gz NOYAAPTWDNWNPE-KBPBESRZSA-N 0 0 319.471 0.494 10 0 DCAERN COc1ccc(F)cc1CN1CCN([C@H]2CCNC2=O)CC1 ZINC000178182621 396190951 /nfs/dbraw/zinc/19/09/51/396190951.db2.gz ZNLUBNTZZTVDCM-AWEZNQCLSA-N 0 0 307.369 0.840 10 0 DCAERN Cc1ccc(S(=O)(=O)NCCN(C)CCOCCO)cc1 ZINC000076017771 396191849 /nfs/dbraw/zinc/19/18/49/396191849.db2.gz ZWAAMNZCKBCORA-UHFFFAOYSA-N 0 0 316.423 0.214 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263290094 396212014 /nfs/dbraw/zinc/21/20/14/396212014.db2.gz VNQCDMXBXNSPJD-GFCCVEGCSA-N 0 0 311.332 0.702 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076099721 396196658 /nfs/dbraw/zinc/19/66/58/396196658.db2.gz OLVYAHFVOBEWGS-QPUJVOFHSA-N 0 0 300.322 0.434 10 0 DCAERN O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CC(F)(F)CN1 ZINC000263012106 396198086 /nfs/dbraw/zinc/19/80/86/396198086.db2.gz PTXMHEPLJJPASC-VIFPVBQESA-N 0 0 309.276 0.745 10 0 DCAERN CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000263045725 396199173 /nfs/dbraw/zinc/19/91/73/396199173.db2.gz TYXFVVAUQGRNFK-LLVKDONJSA-N 0 0 318.345 0.704 10 0 DCAERN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263072372 396200518 /nfs/dbraw/zinc/20/05/18/396200518.db2.gz WQLFXYGNAZWVCD-ZDUSSCGKSA-N 0 0 323.343 0.968 10 0 DCAERN O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263097280 396201394 /nfs/dbraw/zinc/20/13/94/396201394.db2.gz ZBPHRYQBFYEFGI-LBPRGKRZSA-N 0 0 324.331 0.363 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)C(=O)N1CCCC[C@@H]1C ZINC000263110267 396202030 /nfs/dbraw/zinc/20/20/30/396202030.db2.gz AFBPQKHXLJTLBO-DCAQKATOSA-N 0 0 303.353 0.889 10 0 DCAERN NC(=O)COc1cccc(CNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263110606 396202116 /nfs/dbraw/zinc/20/21/16/396202116.db2.gz AHMHHIRDHVFDBD-NSHDSACASA-N 0 0 313.304 0.164 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)CCN1CCOC ZINC000263118267 396202236 /nfs/dbraw/zinc/20/22/36/396202236.db2.gz ATGVAYPYDZNUML-RYUDHWBXSA-N 0 0 305.369 0.553 10 0 DCAERN CC[C@@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CCO1 ZINC000076404944 396202855 /nfs/dbraw/zinc/20/28/55/396202855.db2.gz NMQBMDOZWYFJHT-GFCCVEGCSA-N 0 0 303.366 0.921 10 0 DCAERN CC[C@@H](CSC)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000181213340 396238363 /nfs/dbraw/zinc/23/83/63/396238363.db2.gz NWEGMPJJOMPPCV-VIFPVBQESA-N 0 0 309.395 0.388 10 0 DCAERN COC(=O)CCN1CCN(C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000182114761 396247211 /nfs/dbraw/zinc/24/72/11/396247211.db2.gz SXJNTPRWWJMPAZ-CHWSQXEVSA-N 0 0 320.455 0.236 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)CC1=O ZINC000078564619 396248410 /nfs/dbraw/zinc/24/84/10/396248410.db2.gz SGGBCRGEYOCRGS-NQMVMOMDSA-N 0 0 302.338 0.078 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NCc1nccn1CC(C)C ZINC000182415841 396250613 /nfs/dbraw/zinc/25/06/13/396250613.db2.gz RRRODJGIFWLAJT-LLVKDONJSA-N 0 0 317.411 0.768 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H](C)C[S@](C)=O ZINC000182895651 396256691 /nfs/dbraw/zinc/25/66/91/396256691.db2.gz HDVAWLAIRAXTPY-ZEDNOMKYSA-N 0 0 310.379 0.474 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000182986906 396258146 /nfs/dbraw/zinc/25/81/46/396258146.db2.gz ALTVVCZHCXMKAE-RFZPGFLSSA-N 0 0 307.232 0.209 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)NCCCn1ccnn1 ZINC000182998120 396258394 /nfs/dbraw/zinc/25/83/94/396258394.db2.gz GBGCGJPXZIMUDX-UHFFFAOYSA-N 0 0 302.400 0.245 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c12 ZINC000282104789 396263587 /nfs/dbraw/zinc/26/35/87/396263587.db2.gz FEQGJAGQGZJNMD-SNVBAGLBSA-N 0 0 315.377 0.888 10 0 DCAERN CCC(C)(C)NC(=O)CSCc1cc(=O)n(C)c(=O)n1C ZINC000079341090 396264280 /nfs/dbraw/zinc/26/42/80/396264280.db2.gz OCWKZSRVVHXOBB-UHFFFAOYSA-N 0 0 313.423 0.622 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2noc(-c3ccccc3C)n2)CCO1 ZINC000184051626 396282850 /nfs/dbraw/zinc/28/28/50/396282850.db2.gz ZBGKMNPPNCGMEO-CYBMUJFWSA-N 0 0 316.361 0.992 10 0 DCAERN CNC(=O)[C@@H]1CN(CC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000184052149 396282877 /nfs/dbraw/zinc/28/28/77/396282877.db2.gz YIXCDXDVZJEEPX-AWEZNQCLSA-N 0 0 320.393 0.138 10 0 DCAERN Cn1nnc2ccc(C(=O)NCC(=O)Nc3cccnc3)cc21 ZINC000183618881 396272855 /nfs/dbraw/zinc/27/28/55/396272855.db2.gz CZEXKBSMBHKMFB-UHFFFAOYSA-N 0 0 310.317 0.732 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000079991765 396273759 /nfs/dbraw/zinc/27/37/59/396273759.db2.gz RQTSHXORXNIJOV-MRXNPFEDSA-N 0 0 308.378 0.945 10 0 DCAERN Cc1nccc(N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000183772287 396274900 /nfs/dbraw/zinc/27/49/00/396274900.db2.gz JQTGEQPHGAEPHC-GFCCVEGCSA-N 0 0 312.439 0.588 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)N[C@H]3C)C2)n1 ZINC000282245741 396275011 /nfs/dbraw/zinc/27/50/11/396275011.db2.gz OIAGFELPMJYFMQ-WCQGTBRESA-N 0 0 321.381 0.934 10 0 DCAERN CN1C[C@H](NC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1=O ZINC000282257187 396275524 /nfs/dbraw/zinc/27/55/24/396275524.db2.gz HHGKLCVTBHOPMT-HZSPNIEDSA-N 0 0 321.352 0.874 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000282290635 396277688 /nfs/dbraw/zinc/27/76/88/396277688.db2.gz YJTGBEKKNZPMGJ-GWCFXTLKSA-N 0 0 316.361 0.613 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@H]3CCCOC3)CC2)n1 ZINC000264436547 396279574 /nfs/dbraw/zinc/27/95/74/396279574.db2.gz YJPJRLXHXBEWHL-LBPRGKRZSA-N 0 0 321.381 0.496 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282312383 396279818 /nfs/dbraw/zinc/27/98/18/396279818.db2.gz IZJMOVUKOLAFTL-NSHDSACASA-N 0 0 303.362 0.972 10 0 DCAERN COc1ccc(C)cc1-n1nnnc1S[C@@H]1CCNC1=O ZINC000179005804 396218798 /nfs/dbraw/zinc/21/87/98/396218798.db2.gz NTYSSJRYNLZZFM-LLVKDONJSA-N 0 0 305.363 0.960 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)c2cnn3c2CCCC3)CC1 ZINC000179082373 396221132 /nfs/dbraw/zinc/22/11/32/396221132.db2.gz PXLPATNSFXFYKB-UHFFFAOYSA-N 0 0 319.409 0.113 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccn(Cc2ccccc2)n1 ZINC000179155942 396222692 /nfs/dbraw/zinc/22/26/92/396222692.db2.gz MDNFYURFAYVSON-NSHDSACASA-N 0 0 313.317 0.468 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000179397937 396226888 /nfs/dbraw/zinc/22/68/88/396226888.db2.gz VIKXZDHRCNGBCF-OLZOCXBDSA-N 0 0 314.430 0.129 10 0 DCAERN O=C(NC[C@@H]1CCCCO1)N1CCN(c2cccnn2)CC1 ZINC000263736688 396227100 /nfs/dbraw/zinc/22/71/00/396227100.db2.gz NXLSDNCBNKDJQT-ZDUSSCGKSA-N 0 0 305.382 0.877 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000077747211 396230923 /nfs/dbraw/zinc/23/09/23/396230923.db2.gz FCTSJYDAZHHQER-GZMMTYOYSA-N 0 0 303.297 0.870 10 0 DCAERN CCNC(=O)N1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184975138 396312240 /nfs/dbraw/zinc/31/22/40/396312240.db2.gz LFDSEIFRPUUZLE-UHFFFAOYSA-N 0 0 318.381 0.922 10 0 DCAERN C[C@@H](NCC(=O)NC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000185086067 396316837 /nfs/dbraw/zinc/31/68/37/396316837.db2.gz STFBDQIFNOMHPB-SSDOTTSWSA-N 0 0 307.285 0.721 10 0 DCAERN CN(CCCNC(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000185148110 396319291 /nfs/dbraw/zinc/31/92/91/396319291.db2.gz ODOYHSAHZOFRBK-HZPDHXFCSA-N 0 0 321.421 0.057 10 0 DCAERN COc1cc(N2CCN(CC(=O)N[C@@H](C)C(C)C)CC2)ncn1 ZINC000184073657 396284399 /nfs/dbraw/zinc/28/43/99/396284399.db2.gz RQTMQHIFBWFYGQ-ZDUSSCGKSA-N 0 0 321.425 0.768 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081047409 396292294 /nfs/dbraw/zinc/29/22/94/396292294.db2.gz GKTSFKWPPODVNE-WRWORJQWSA-N 0 0 309.288 0.362 10 0 DCAERN C[C@H](NC(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000185156623 396319832 /nfs/dbraw/zinc/31/98/32/396319832.db2.gz PABPZERKPPNUGR-ZLKJLUDKSA-N 0 0 312.797 0.945 10 0 DCAERN O=C(CN1CCO[C@@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142871 396319928 /nfs/dbraw/zinc/31/99/28/396319928.db2.gz WCVRCWVNWYFHGD-INIZCTEOSA-N 0 0 308.353 0.933 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCO[C@]3(CCOC3)C2)[nH]n1 ZINC000184486549 396296706 /nfs/dbraw/zinc/29/67/06/396296706.db2.gz CISIHZSYFWOTNR-XHDPSFHLSA-N 0 0 308.382 0.850 10 0 DCAERN COCCCCS(=O)(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000184480374 396296995 /nfs/dbraw/zinc/29/69/95/396296995.db2.gz OSUHBACWNVSLBS-OLZOCXBDSA-N 0 0 308.444 0.442 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000184507437 396298030 /nfs/dbraw/zinc/29/80/30/396298030.db2.gz AVPCEJLWGKVMIX-YNEHKIRRSA-N 0 0 304.456 0.716 10 0 DCAERN COc1cccc(CNC(=O)c2cn(CC3(C)COC3)nn2)n1 ZINC000184571875 396299697 /nfs/dbraw/zinc/29/96/97/396299697.db2.gz YUPQPHJZXGUEFD-UHFFFAOYSA-N 0 0 317.349 0.648 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184624405 396300623 /nfs/dbraw/zinc/30/06/23/396300623.db2.gz YIBPNCQTCDDCLE-LBPRGKRZSA-N 0 0 310.398 0.794 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000184775719 396305730 /nfs/dbraw/zinc/30/57/30/396305730.db2.gz ARIQDFDGSVTECW-CHWSQXEVSA-N 0 0 320.455 0.978 10 0 DCAERN CCc1ccc([C@H](COC)NC[C@@H](O)CN2CCOCC2)o1 ZINC000184800684 396306756 /nfs/dbraw/zinc/30/67/56/396306756.db2.gz LZZYENIWZGGORZ-HIFRSBDPSA-N 0 0 312.410 0.812 10 0 DCAERN CCOC(=O)c1c(C)nn(C[C@@H](O)CN2CCOCC2)c1C ZINC000184850570 396308471 /nfs/dbraw/zinc/30/84/71/396308471.db2.gz GDICOGWWTVJJGG-ZDUSSCGKSA-N 0 0 311.382 0.370 10 0 DCAERN Cn1nnc2ccc(C(=O)NCC3(CS(C)(=O)=O)CC3)cc21 ZINC000185450092 396327956 /nfs/dbraw/zinc/32/79/56/396327956.db2.gz MCWODXWSLNMWTK-UHFFFAOYSA-N 0 0 322.390 0.523 10 0 DCAERN O=c1cc(CN2CCO[C@@]3(CCOC3)C2)nc2sccn21 ZINC000185221951 396322364 /nfs/dbraw/zinc/32/23/64/396322364.db2.gz QINOXKPGMMUNGT-AWEZNQCLSA-N 0 0 307.375 0.747 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN2CCCS2(=O)=O)s1 ZINC000265504848 396322473 /nfs/dbraw/zinc/32/24/73/396322473.db2.gz DJOJWVSVNMSKRW-UHFFFAOYSA-N 0 0 303.365 0.320 10 0 DCAERN COCCCCS(=O)(=O)NCc1cccc(N(C)C)n1 ZINC000185511188 396329495 /nfs/dbraw/zinc/32/94/95/396329495.db2.gz MPCCATIIIQBSGE-UHFFFAOYSA-N 0 0 301.412 0.994 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCO[C@]2(CCOC2)C1 ZINC000186024713 396339517 /nfs/dbraw/zinc/33/95/17/396339517.db2.gz SKHJFHPGJRRBRA-QGZVFWFLSA-N 0 0 316.357 0.742 10 0 DCAERN Cn1nccc1CCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000185870907 396335995 /nfs/dbraw/zinc/33/59/95/396335995.db2.gz YLTPWFGISRQTAE-ZDUSSCGKSA-N 0 0 303.362 0.778 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000185853759 396336019 /nfs/dbraw/zinc/33/60/19/396336019.db2.gz YBOPPSQVQZVELS-SNVBAGLBSA-N 0 0 309.753 0.698 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)NCc3noc(C)n3)cc12 ZINC000186210829 396345155 /nfs/dbraw/zinc/34/51/55/396345155.db2.gz FGCKXURCUYDBPI-UHFFFAOYSA-N 0 0 323.334 0.955 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000186237581 396345368 /nfs/dbraw/zinc/34/53/68/396345368.db2.gz ZDSNMRQDZSNJEC-CYBMUJFWSA-N 0 0 307.398 0.844 10 0 DCAERN COCCCNC(=O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186116877 396342048 /nfs/dbraw/zinc/34/20/48/396342048.db2.gz XVJHWTPHVHTTAY-UHFFFAOYSA-N 0 0 311.407 0.549 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1CCN(C2CC2)CC1 ZINC000265781336 396343310 /nfs/dbraw/zinc/34/33/10/396343310.db2.gz JYVFWZHAZFVFBJ-UHFFFAOYSA-N 0 0 301.394 0.997 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC000186638585 396353841 /nfs/dbraw/zinc/35/38/41/396353841.db2.gz QBXUGPUWWQLFOR-RKDXNWHRSA-N 0 0 310.379 0.502 10 0 DCAERN O=C(c1ncncc1Cl)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186654581 396354812 /nfs/dbraw/zinc/35/48/12/396354812.db2.gz XJIGGWMHGAHXAN-SNVBAGLBSA-N 0 0 323.784 0.166 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)NC1(CO)CCC1 ZINC000186774547 396357750 /nfs/dbraw/zinc/35/77/50/396357750.db2.gz JGIMMYSGOALFPC-CYBMUJFWSA-N 0 0 318.377 0.791 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187000837 396361883 /nfs/dbraw/zinc/36/18/83/396361883.db2.gz SCCBUHGHDMOERS-UHFFFAOYSA-N 0 0 316.361 0.983 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1=O ZINC000187187264 396365092 /nfs/dbraw/zinc/36/50/92/396365092.db2.gz SEYLPOVMDQSIIY-GFCCVEGCSA-N 0 0 320.397 0.103 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)CCc2nnc[nH]2)C12CCOCC2 ZINC000186462134 396350661 /nfs/dbraw/zinc/35/06/61/396350661.db2.gz LERMXCSVJCOVBU-RYUDHWBXSA-N 0 0 308.382 0.828 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188555311 396383500 /nfs/dbraw/zinc/38/35/00/396383500.db2.gz NJZXPRPOECGBER-KBUPBQIOSA-N 0 0 317.389 0.950 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)C12CCOCC2 ZINC000188670124 396384153 /nfs/dbraw/zinc/38/41/53/396384153.db2.gz VBVKZAJKIBCIQL-ZIAGYGMSSA-N 0 0 310.394 0.555 10 0 DCAERN CC(C)(NC(=O)c1cn(-c2cccc(Cl)c2)nn1)C(N)=O ZINC000188667156 396384415 /nfs/dbraw/zinc/38/44/15/396384415.db2.gz BYAWZELJUGTZBL-UHFFFAOYSA-N 0 0 307.741 0.914 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188792795 396386184 /nfs/dbraw/zinc/38/61/84/396386184.db2.gz LFLZYJCTSGZWLG-NSHDSACASA-N 0 0 313.423 0.133 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000188813985 396387501 /nfs/dbraw/zinc/38/75/01/396387501.db2.gz HOOAOIZWXLTAKA-GFCCVEGCSA-N 0 0 308.378 0.930 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188865861 396387728 /nfs/dbraw/zinc/38/77/28/396387728.db2.gz YAVBRGWSPOVWJP-LLVKDONJSA-N 0 0 303.362 0.673 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCN1C(=O)CCC1=O ZINC000189010471 396389922 /nfs/dbraw/zinc/38/99/22/396389922.db2.gz PAPIQXSCOOHUTB-UHFFFAOYSA-N 0 0 310.379 0.714 10 0 DCAERN COCCN1CCCN(C(=O)c2c(C)nn(C)c2C)CC1=O ZINC000189062794 396390424 /nfs/dbraw/zinc/39/04/24/396390424.db2.gz ZHKNMLIBVOJNMP-UHFFFAOYSA-N 0 0 308.382 0.358 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000189142095 396391190 /nfs/dbraw/zinc/39/11/90/396391190.db2.gz ALVLDDUNVMUSCF-JGGQBBKZSA-N 0 0 320.389 0.860 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N(C)Cc1ccccc1F ZINC000189291778 396392935 /nfs/dbraw/zinc/39/29/35/396392935.db2.gz IGZAASQFTWAPJF-GFCCVEGCSA-N 0 0 307.369 0.995 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@H](O)CN1CCCC1=O)[C@@H]2C ZINC000189512687 396396413 /nfs/dbraw/zinc/39/64/13/396396413.db2.gz FPPGXYGTBDFHJM-OLZOCXBDSA-N 0 0 321.425 0.761 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000190054586 396402085 /nfs/dbraw/zinc/40/20/85/396402085.db2.gz FNAWUEQNQBTGGQ-ZDUSSCGKSA-N 0 0 307.394 0.947 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000190539117 396407699 /nfs/dbraw/zinc/40/76/99/396407699.db2.gz JUMFLWVLVAHBEZ-DGCLKSJQSA-N 0 0 316.423 0.438 10 0 DCAERN COc1ccnc(CN2CCS(=O)(=O)[C@H](C)C2)c1OC ZINC000190587870 396408180 /nfs/dbraw/zinc/40/81/80/396408180.db2.gz WFRWWNKNHMWERX-SNVBAGLBSA-N 0 0 300.380 0.718 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1=O ZINC000190649140 396409508 /nfs/dbraw/zinc/40/95/08/396409508.db2.gz NEDQIXRFDZTVEW-UHFFFAOYSA-N 0 0 302.327 0.645 10 0 DCAERN Cc1noc(-c2cccnc2NC[C@@H](O)CN2CCOCC2)n1 ZINC000269395367 396411546 /nfs/dbraw/zinc/41/15/46/396411546.db2.gz WEWVQYBPDXTVSZ-GFCCVEGCSA-N 0 0 319.365 0.545 10 0 DCAERN CCn1cc([C@H]2CN(CCCN3CCOCC3)CCO2)cn1 ZINC000190791876 396411646 /nfs/dbraw/zinc/41/16/46/396411646.db2.gz FKWLAWCRRVKNOE-MRXNPFEDSA-N 0 0 308.426 0.999 10 0 DCAERN CCOC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)C ZINC000190922183 396413358 /nfs/dbraw/zinc/41/33/58/396413358.db2.gz PMGYMDJLOVKKKR-LBPRGKRZSA-N 0 0 321.381 0.307 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1=O ZINC000191039661 396414237 /nfs/dbraw/zinc/41/42/37/396414237.db2.gz IMRXXEYDCCJSLO-UHFFFAOYSA-N 0 0 311.288 0.594 10 0 DCAERN COCCN1CCCN(C(=O)COc2ccccc2)CC1=O ZINC000191272274 396417319 /nfs/dbraw/zinc/41/73/19/396417319.db2.gz NDDNNRVRBOPDHF-UHFFFAOYSA-N 0 0 306.362 0.773 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191425504 396419035 /nfs/dbraw/zinc/41/90/35/396419035.db2.gz RGKBKTWJEPOJLA-GFCCVEGCSA-N 0 0 307.398 0.959 10 0 DCAERN CCN1CCCN(C(=O)Nc2cnc(N(C)C)nc2)CC1=O ZINC000191561730 396421345 /nfs/dbraw/zinc/42/13/45/396421345.db2.gz BRZNEBWBULJQKB-UHFFFAOYSA-N 0 0 306.370 0.629 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000191763463 396424398 /nfs/dbraw/zinc/42/43/98/396424398.db2.gz SOTCAAMMLJXCHJ-PIGZYNQJSA-N 0 0 316.357 0.895 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)C1 ZINC000191925606 396426814 /nfs/dbraw/zinc/42/68/14/396426814.db2.gz MNSRUDJCXDDHDG-TZMCWYRMSA-N 0 0 320.393 0.170 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2snnc2C(C)(C)C)CCO1 ZINC000191962826 396427644 /nfs/dbraw/zinc/42/76/44/396427644.db2.gz GXBDMDUBIVIQTH-MRVPVSSYSA-N 0 0 312.395 0.423 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000192922998 396440399 /nfs/dbraw/zinc/44/03/99/396440399.db2.gz XGNLBYVJYHMQME-VXGBXAGGSA-N 0 0 316.427 0.343 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000187901630 396376380 /nfs/dbraw/zinc/37/63/80/396376380.db2.gz WNFIEESRIFYLGD-JTQLQIEISA-N 0 0 311.288 0.322 10 0 DCAERN COc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1O ZINC000286129439 396376491 /nfs/dbraw/zinc/37/64/91/396376491.db2.gz FYNKWTCBJRAFIH-MNOVXSKESA-N 0 0 305.334 0.639 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188082409 396378244 /nfs/dbraw/zinc/37/82/44/396378244.db2.gz BNSOPIDPJOEVTH-VXGBXAGGSA-N 0 0 306.362 0.683 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000188083485 396379119 /nfs/dbraw/zinc/37/91/19/396379119.db2.gz XPZYKXUQFVFMHH-SNVBAGLBSA-N 0 0 307.325 0.293 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188086857 396379181 /nfs/dbraw/zinc/37/91/81/396379181.db2.gz VTBWOCLVBWMFSC-UHFFFAOYSA-N 0 0 315.381 0.687 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CCCNC(=O)[C@H]3C)c(=O)n2c1 ZINC000188083734 396379249 /nfs/dbraw/zinc/37/92/49/396379249.db2.gz ATBDVTGRLIWFQD-LLVKDONJSA-N 0 0 314.345 0.354 10 0 DCAERN CCc1ccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000193301709 396448619 /nfs/dbraw/zinc/44/86/19/396448619.db2.gz FQUYJFVMTLSZQO-HZPDHXFCSA-N 0 0 304.390 0.889 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCC[C@@H](C)C2)n1 ZINC000372390214 396513839 /nfs/dbraw/zinc/51/38/39/396513839.db2.gz RMCWTRVDBYGSRZ-RAIGVLPGSA-N 0 0 308.382 0.744 10 0 DCAERN CS(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000371608147 396471952 /nfs/dbraw/zinc/47/19/52/396471952.db2.gz QAWNINXCGIIHBE-UHFFFAOYSA-N 0 0 316.404 0.023 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCN3CCOC[C@@H]3C2)cs1 ZINC000371787585 396476599 /nfs/dbraw/zinc/47/65/99/396476599.db2.gz CMLNBRVOYBASCE-JTQLQIEISA-N 0 0 310.379 0.258 10 0 DCAERN Cn1cc(OCC(=O)NCCc2nnc3n2CCCCC3)cn1 ZINC000581773378 396582500 /nfs/dbraw/zinc/58/25/00/396582500.db2.gz HVZWTWZDXQLIIG-UHFFFAOYSA-N 0 0 318.381 0.476 10 0 DCAERN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCC1CC1 ZINC000527511686 396536366 /nfs/dbraw/zinc/53/63/66/396536366.db2.gz RYAXWVLCZFLZAM-UHFFFAOYSA-N 0 0 322.365 0.842 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000373180767 396572354 /nfs/dbraw/zinc/57/23/54/396572354.db2.gz WKIMGLYXMDOTRX-FRRDWIJNSA-N 0 0 318.439 0.730 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCc1nnnn1C)CC2 ZINC000530378265 396575981 /nfs/dbraw/zinc/57/59/81/396575981.db2.gz NSVXVBGHPATBGI-SECBINFHSA-N 0 0 303.370 0.478 10 0 DCAERN c1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)nc(N2CCOCC2)n1 ZINC000373382651 396587294 /nfs/dbraw/zinc/58/72/94/396587294.db2.gz JIHVEZUNRHLPNJ-ZIAGYGMSSA-N 0 0 320.393 0.697 10 0 DCAERN CN1CC[C@@H](NC(=O)NCC[C@H]2COc3ccccc3O2)C1=O ZINC000581859003 396587384 /nfs/dbraw/zinc/58/73/84/396587384.db2.gz VBLDUVFQVXXIQH-NWDGAFQWSA-N 0 0 319.361 0.746 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@H]1C ZINC000374225936 396649233 /nfs/dbraw/zinc/64/92/33/396649233.db2.gz UHRCYADPIGVEOW-RDBSUJKOSA-N 0 0 320.437 0.439 10 0 DCAERN Cn1cnc2c1ncnc2NCCCN1CCCS1(=O)=O ZINC000585744662 396651808 /nfs/dbraw/zinc/65/18/08/396651808.db2.gz BYFNFQSIACLUPI-UHFFFAOYSA-N 0 0 310.383 0.201 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)C1 ZINC000374302269 396654364 /nfs/dbraw/zinc/65/43/64/396654364.db2.gz MMYHLWXLCVUHJV-WUHRBBMRSA-N 0 0 318.439 0.729 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCC1CC1 ZINC000531394359 396595689 /nfs/dbraw/zinc/59/56/89/396595689.db2.gz PKFZYOHQXWTNGQ-GFCCVEGCSA-N 0 0 303.428 0.900 10 0 DCAERN CN(CCN1CCCC1=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000533432625 396602316 /nfs/dbraw/zinc/60/23/16/396602316.db2.gz ADNOWQACXUBOSY-UHFFFAOYSA-N 0 0 319.361 0.908 10 0 DCAERN CC(C)n1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)n1 ZINC000562297689 396656274 /nfs/dbraw/zinc/65/62/74/396656274.db2.gz JSYLVLCMEHDYCD-INIZCTEOSA-N 0 0 318.377 0.693 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@H](CO)C1 ZINC000373735889 396611044 /nfs/dbraw/zinc/61/10/44/396611044.db2.gz KETACDNNUQWQRW-VIFPVBQESA-N 0 0 307.803 0.857 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373754642 396611922 /nfs/dbraw/zinc/61/19/22/396611922.db2.gz QQYNQLPRJJXCKN-QWRGUYRKSA-N 0 0 309.366 0.535 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)CC1=O ZINC000374576156 396674049 /nfs/dbraw/zinc/67/40/49/396674049.db2.gz OTXXNINLFCYECE-XGFWRYKXSA-N 0 0 309.410 0.846 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374639663 396677447 /nfs/dbraw/zinc/67/74/47/396677447.db2.gz IJMSWVQQPQUNJQ-OLZOCXBDSA-N 0 0 320.455 0.730 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000588232075 396682115 /nfs/dbraw/zinc/68/21/15/396682115.db2.gz UAEXMDRYZWNDJE-DYEKYZERSA-N 0 0 309.410 0.903 10 0 DCAERN COCCCOCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374846443 396691727 /nfs/dbraw/zinc/69/17/27/396691727.db2.gz ZIBYFMZCQZKCIN-ZFWWWQNUSA-N 0 0 315.410 0.723 10 0 DCAERN CC(C)c1cc(N2CC[NH+](CCCO)CC2)n2ncnc2n1 ZINC000588898193 396698593 /nfs/dbraw/zinc/69/85/93/396698593.db2.gz CXDRGLHTTYEHKG-UHFFFAOYSA-N 0 0 304.398 0.752 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(C)(C(N)=O)C1 ZINC000563068180 396699128 /nfs/dbraw/zinc/69/91/28/396699128.db2.gz KXYMMYXZAGBQSX-AWEZNQCLSA-N 0 0 317.389 0.110 10 0 DCAERN O=S(=O)(CCC(F)(F)F)N1CCN2CCOC[C@H]2C1 ZINC000375143002 396713146 /nfs/dbraw/zinc/71/31/46/396713146.db2.gz MRCIFEIUODWTCS-SECBINFHSA-N 0 0 302.318 0.285 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(c3ncc(Cl)cn3)CC[C@@H]21 ZINC000299744569 396713675 /nfs/dbraw/zinc/71/36/75/396713675.db2.gz SWKDFRGIBSKQRI-MNOVXSKESA-N 0 0 311.773 0.749 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCN1CCN2CCOC[C@H]2C1 ZINC000375236280 396720169 /nfs/dbraw/zinc/72/01/69/396720169.db2.gz FOFXBYWYTHQNAT-CYBMUJFWSA-N 0 0 315.373 0.299 10 0 DCAERN CNc1nc(N2CCN(C)C(=O)[C@@H]2C)ncc1Br ZINC000302574228 396721096 /nfs/dbraw/zinc/72/10/96/396721096.db2.gz ZZLVCRYYQUSQGP-ZETCQYMHSA-N 0 0 314.187 0.948 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375287130 396724655 /nfs/dbraw/zinc/72/46/55/396724655.db2.gz NGVJXQJWVCPXHJ-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@H]2CCCO2)CC[S@@]1=O ZINC000562368592 396659778 /nfs/dbraw/zinc/65/97/78/396659778.db2.gz FOHKVVFNQVGGOL-JWHHTLNTSA-N 0 0 305.440 0.386 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1 ZINC000617713299 396785482 /nfs/dbraw/zinc/78/54/82/396785482.db2.gz KLZQLLPMXHRBEV-MRXNPFEDSA-N 0 0 307.346 0.787 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629570400 396791403 /nfs/dbraw/zinc/79/14/03/396791403.db2.gz JJSIVHQNGXZIQM-JXDHDYMSSA-N 0 0 302.396 0.285 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccnn1C ZINC000624977993 396739546 /nfs/dbraw/zinc/73/95/46/396739546.db2.gz GZROGTMZCIYEQK-UHFFFAOYSA-N 0 0 309.370 0.168 10 0 DCAERN CCOCCNC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375431606 396743372 /nfs/dbraw/zinc/74/33/72/396743372.db2.gz QFZNUSMEAQOIAW-LBPRGKRZSA-N 0 0 308.382 0.889 10 0 DCAERN Cn1ccnc(NC(=O)N2CC(O)(c3ccc(F)cc3)C2)c1=O ZINC000375454838 396750458 /nfs/dbraw/zinc/75/04/58/396750458.db2.gz LRWRTINPCZBYLV-UHFFFAOYSA-N 0 0 318.308 0.655 10 0 DCAERN CCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCOC1 ZINC000312539919 396764572 /nfs/dbraw/zinc/76/45/72/396764572.db2.gz KZDRCGOCZJTIRN-SECBINFHSA-N 0 0 318.420 0.575 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000312513837 396765269 /nfs/dbraw/zinc/76/52/69/396765269.db2.gz NMTDDXFHTYHPCJ-VHSXEESVSA-N 0 0 307.318 0.735 10 0 DCAERN CCN([C@@H]1CCOC1)S(=O)(=O)c1scnc1C(=O)OC ZINC000312864962 396767985 /nfs/dbraw/zinc/76/79/85/396767985.db2.gz XTNLBOBYVGQJCJ-MRVPVSSYSA-N 0 0 320.392 0.729 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000600234832 396768065 /nfs/dbraw/zinc/76/80/65/396768065.db2.gz NOFXSOMJAAZMFO-SECBINFHSA-N 0 0 300.384 0.113 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000625086887 396768838 /nfs/dbraw/zinc/76/88/38/396768838.db2.gz BQDVCWHOHKSVEW-OLZOCXBDSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1NC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501540 396771917 /nfs/dbraw/zinc/77/19/17/396771917.db2.gz BFYUYXRDENGQBE-DGCLKSJQSA-N 0 0 304.350 0.223 10 0 DCAERN CCN1CC(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629503114 396773731 /nfs/dbraw/zinc/77/37/31/396773731.db2.gz LMAPKBBUDSIJON-AWEZNQCLSA-N 0 0 318.377 0.567 10 0 DCAERN C[C@@H]1C(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C(=O)N1C ZINC000629504436 396773859 /nfs/dbraw/zinc/77/38/59/396773859.db2.gz YDRJEDBSUNVTPX-OCCSQVGLSA-N 0 0 318.377 0.565 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@H]1c1nccn1C ZINC000328626775 396824793 /nfs/dbraw/zinc/82/47/93/396824793.db2.gz MCETYMWCIQMUCS-OLZOCXBDSA-N 0 0 317.397 0.478 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629242 396827376 /nfs/dbraw/zinc/82/73/76/396827376.db2.gz IATSTYFFOPKWIF-CABCVRRESA-N 0 0 302.378 0.792 10 0 DCAERN CCCc1cc(C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)[nH]n1 ZINC000328642197 396828503 /nfs/dbraw/zinc/82/85/03/396828503.db2.gz QYUQKSXOJCCXRO-GFCCVEGCSA-N 0 0 323.397 0.670 10 0 DCAERN COc1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)on1 ZINC000328656750 396830592 /nfs/dbraw/zinc/83/05/92/396830592.db2.gz ZQUUWKBSWLTLHA-GFCCVEGCSA-N 0 0 309.366 0.866 10 0 DCAERN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091850 396839106 /nfs/dbraw/zinc/83/91/06/396839106.db2.gz XBNKWYGFJXCCDB-STQMWFEESA-N 0 0 308.430 0.723 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)nn1C ZINC000329925224 396851579 /nfs/dbraw/zinc/85/15/79/396851579.db2.gz JRRGTQOCWPJPDR-HNNXBMFYSA-N 0 0 303.366 0.850 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000330014069 396853122 /nfs/dbraw/zinc/85/31/22/396853122.db2.gz MSDSWWGUFWZJMK-NSHDSACASA-N 0 0 309.366 0.693 10 0 DCAERN CC[C@H](C)N1CC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000376026303 396865375 /nfs/dbraw/zinc/86/53/75/396865375.db2.gz QQMRQLSPLGHOFA-AAEUAGOBSA-N 0 0 323.393 0.829 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2nc([C@H](C)OC)ns2)C1 ZINC000375699140 396799473 /nfs/dbraw/zinc/79/94/73/396799473.db2.gz WRWRYNIZGWCTLE-DTWKUNHWSA-N 0 0 320.440 0.764 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCc3c[nH]nc3C2)cc1 ZINC000611006288 396802041 /nfs/dbraw/zinc/80/20/41/396802041.db2.gz CYYSSNNKXDBSDB-UHFFFAOYSA-N 0 0 321.358 0.943 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CN2C(=O)N[C@H](CC3CC3)C2=O)O1 ZINC000564770659 396867205 /nfs/dbraw/zinc/86/72/05/396867205.db2.gz GSWQUBSAMDCHSG-TUAOUCFPSA-N 0 0 309.366 0.343 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)c2nc(Cl)cs2)C1 ZINC000375747596 396812330 /nfs/dbraw/zinc/81/23/30/396812330.db2.gz DNXRRBJRQXYUJB-LURJTMIESA-N 0 0 309.800 0.560 10 0 DCAERN CCOC(=O)C1(S(C)(=O)=O)CCN(CCSC)CC1 ZINC000375750301 396812363 /nfs/dbraw/zinc/81/23/63/396812363.db2.gz KVXHIVMHJLJPFU-UHFFFAOYSA-N 0 0 309.453 0.792 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000375783748 396816936 /nfs/dbraw/zinc/81/69/36/396816936.db2.gz FXHADZRAVMRZNO-CHWSQXEVSA-N 0 0 321.381 0.414 10 0 DCAERN O=C1CCC(=O)N1CCNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333190668 396919796 /nfs/dbraw/zinc/91/97/96/396919796.db2.gz RYOKAVIBSQXLFX-OUAUKWLOSA-N 0 0 300.380 0.243 10 0 DCAERN C[C@H]1CCC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000591587470 396931721 /nfs/dbraw/zinc/93/17/21/396931721.db2.gz ZHYXINUZTWBWSP-NWDGAFQWSA-N 0 0 303.428 0.900 10 0 DCAERN NC(=O)c1ccc(OCC(=O)N2CCC[C@@](F)(CO)C2)cc1 ZINC000376498644 396938455 /nfs/dbraw/zinc/93/84/55/396938455.db2.gz YKMRVROPWNEQCZ-HNNXBMFYSA-N 0 0 310.325 0.487 10 0 DCAERN NS(=O)(=O)c1ccc(N2CC(CO)C2)cc1C(F)(F)F ZINC000571594526 396968667 /nfs/dbraw/zinc/96/86/67/396968667.db2.gz GGBJGMASRSAKMZ-UHFFFAOYSA-N 0 0 310.297 0.781 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735858 396990951 /nfs/dbraw/zinc/99/09/51/396990951.db2.gz PHJPSCLDYZONFV-RYMFRWLXSA-N 0 0 311.426 0.644 10 0 DCAERN CCC[C@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000618882871 397036252 /nfs/dbraw/zinc/03/62/52/397036252.db2.gz CCOHLTUYXALKOS-AXFHLTTASA-N 0 0 302.371 0.110 10 0 DCAERN CCCc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)[nH]n1 ZINC000618883033 397036529 /nfs/dbraw/zinc/03/65/29/397036529.db2.gz SQCBKHARKFPDSZ-UWVGGRQHSA-N 0 0 324.381 0.548 10 0 DCAERN CC(=O)N(CCC(=O)NC[C@@H]1CCC(=O)N1)Cc1ccccc1 ZINC000619142873 397088784 /nfs/dbraw/zinc/08/87/84/397088784.db2.gz YLBVHOMTHGVHJQ-HNNXBMFYSA-N 0 0 317.389 0.820 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1nnnn1-c1ccccc1 ZINC000630817043 397109544 /nfs/dbraw/zinc/10/95/44/397109544.db2.gz ALTPHMUYOKQPQG-CYBMUJFWSA-N 0 0 314.349 0.289 10 0 DCAERN CCCN(CC(=O)[O-])C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630571012 397048214 /nfs/dbraw/zinc/04/82/14/397048214.db2.gz HFFVQKXBFNGVJU-AWEZNQCLSA-N 0 0 307.394 0.769 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000630571331 397048833 /nfs/dbraw/zinc/04/88/33/397048833.db2.gz MCRLCBLOJVSLSJ-ZIAGYGMSSA-N 0 0 305.378 0.521 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573960 397050129 /nfs/dbraw/zinc/05/01/29/397050129.db2.gz LXPKZXPENORJAF-HNNXBMFYSA-N 0 0 319.405 0.769 10 0 DCAERN CC(C)[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630574924 397050498 /nfs/dbraw/zinc/05/04/98/397050498.db2.gz UXKZETKMOCDCTR-CABCVRRESA-N 0 0 321.421 0.919 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NCCn1cncn1 ZINC000573266377 397152520 /nfs/dbraw/zinc/15/25/20/397152520.db2.gz JJANKCJESUVVOZ-GFCCVEGCSA-N 0 0 317.349 0.807 10 0 DCAERN COCC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCOCC1 ZINC000377923507 397165801 /nfs/dbraw/zinc/16/58/01/397165801.db2.gz QDWQSTOTCDICTK-LBPRGKRZSA-N 0 0 311.300 0.955 10 0 DCAERN CC(C)(C)OC(=O)c1cnc(C(=O)NC2(C(N)=O)CCC2)cn1 ZINC000619794981 397193525 /nfs/dbraw/zinc/19/35/25/397193525.db2.gz LWONUOZFSRJBTO-UHFFFAOYSA-N 0 0 320.349 0.570 10 0 DCAERN C[C@H](CCNC(=O)N[C@@H]1CCC(=O)NC12CCC2)[S@@](C)=O ZINC000619800668 397194699 /nfs/dbraw/zinc/19/46/99/397194699.db2.gz VWPDZTCKPFQNEQ-OIAVYIFSSA-N 0 0 315.439 0.644 10 0 DCAERN CCN1CC[C@H](NC(=O)Cc2ccccc2C(=O)OC)C1=O ZINC000619801934 397194915 /nfs/dbraw/zinc/19/49/15/397194915.db2.gz QQHFVIJNLDSXJK-ZDUSSCGKSA-N 0 0 304.346 0.753 10 0 DCAERN CCN1CC[C@@H](NC(=O)Cc2ccccc2C(=O)OC)C1=O ZINC000619801933 397194994 /nfs/dbraw/zinc/19/49/94/397194994.db2.gz QQHFVIJNLDSXJK-CYBMUJFWSA-N 0 0 304.346 0.753 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2ccc(C(=O)OC)cc2F)C1=O ZINC000619802310 397195158 /nfs/dbraw/zinc/19/51/58/397195158.db2.gz YNMCQOLTVKQUEL-GFCCVEGCSA-N 0 0 308.309 0.963 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC12CCCCC2 ZINC000613148157 397203919 /nfs/dbraw/zinc/20/39/19/397203919.db2.gz LAGALIQMWZDEDQ-ZDUSSCGKSA-N 0 0 322.409 0.404 10 0 DCAERN O=C(CNC(=O)Nc1ccc2c(c1)OCC(=O)N2)N1CCCC1 ZINC000613153973 397206745 /nfs/dbraw/zinc/20/67/45/397206745.db2.gz LUIKHDDIWAZDOF-UHFFFAOYSA-N 0 0 318.333 0.761 10 0 DCAERN CCCN1CCCN(S(=O)(=O)N2CCC[C@H]2C)CC1=O ZINC000364543112 397217835 /nfs/dbraw/zinc/21/78/35/397217835.db2.gz KPSHSTGBUPEKHL-GFCCVEGCSA-N 0 0 303.428 0.660 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000364561586 397221915 /nfs/dbraw/zinc/22/19/15/397221915.db2.gz DOZREMYZPQVNGS-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCN2CCOC[C@H]2C1 ZINC000364594926 397225951 /nfs/dbraw/zinc/22/59/51/397225951.db2.gz XWMXREOQAWIEJU-HIFRSBDPSA-N 0 0 316.361 0.118 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3C[C@@H](F)C[C@@H]3CO)cc2C1=O ZINC000364618674 397228737 /nfs/dbraw/zinc/22/87/37/397228737.db2.gz YXKHERDPKFAQNY-VHSXEESVSA-N 0 0 306.293 0.457 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000601747852 397232861 /nfs/dbraw/zinc/23/28/61/397232861.db2.gz KMEVFWJWRMIYRH-GFCCVEGCSA-N 0 0 312.366 0.747 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000385613944 397284203 /nfs/dbraw/zinc/28/42/03/397284203.db2.gz FTLFDAORTDVELB-FVCCEPFGSA-N 0 0 306.428 0.433 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC000365615849 397301698 /nfs/dbraw/zinc/30/16/98/397301698.db2.gz ZZAIBTQEWNFFNM-OUCADQQQSA-N 0 0 322.386 0.519 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2)CCN1 ZINC000396699441 397310664 /nfs/dbraw/zinc/31/06/64/397310664.db2.gz HSVOYBBBUYTUJD-LBPRGKRZSA-N 0 0 300.355 0.914 10 0 DCAERN CCN1CN(C(=O)[C@@H]2COc3c(cccc3OC)C2)CC1=O ZINC000365264225 397256350 /nfs/dbraw/zinc/25/63/50/397256350.db2.gz FGFZMFPGPLUXPX-LBPRGKRZSA-N 0 0 304.346 0.895 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000365272674 397257896 /nfs/dbraw/zinc/25/78/96/397257896.db2.gz XTFHOYGVDKQDNT-UHFFFAOYSA-N 0 0 311.338 0.451 10 0 DCAERN CC(=O)c1cn(CC(=O)NCC2(O)CCC(F)(F)CC2)nn1 ZINC000620331076 397260425 /nfs/dbraw/zinc/26/04/25/397260425.db2.gz LPHRALHMKILANB-UHFFFAOYSA-N 0 0 316.308 0.537 10 0 DCAERN CC(=O)CCCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000621006311 397331500 /nfs/dbraw/zinc/33/15/00/397331500.db2.gz TVFZHYBDEMMERW-UHFFFAOYSA-N 0 0 316.354 0.849 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000407956917 397335767 /nfs/dbraw/zinc/33/57/67/397335767.db2.gz XMKDZURJEBIEIF-UTUOFQBUSA-N 0 0 311.382 0.590 10 0 DCAERN O=C(CCNC(=O)N1CCN(C2CC2)C(=O)C1)N1CCCCC1 ZINC000407960434 397338208 /nfs/dbraw/zinc/33/82/08/397338208.db2.gz WARQOBYLZJWIIY-UHFFFAOYSA-N 0 0 322.409 0.405 10 0 DCAERN C[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000407963604 397338822 /nfs/dbraw/zinc/33/88/22/397338822.db2.gz PUVLWSFJHHJYKB-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000407963671 397338911 /nfs/dbraw/zinc/33/89/11/397338911.db2.gz DFIAZXOJULAEBP-VHSXEESVSA-N 0 0 307.441 0.073 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)NC3(C)CCOCC3)nc2n1 ZINC000407969770 397341631 /nfs/dbraw/zinc/34/16/31/397341631.db2.gz XUQNDEYWBPVVJH-UHFFFAOYSA-N 0 0 303.366 0.969 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)CC(=O)N1C ZINC000407968657 397341768 /nfs/dbraw/zinc/34/17/68/397341768.db2.gz GUVLMBWNPLNOQL-NSHDSACASA-N 0 0 303.366 0.380 10 0 DCAERN CN(C(=O)Cn1cncn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000602209403 397345206 /nfs/dbraw/zinc/34/52/06/397345206.db2.gz AOXYYMDEGMMEAV-ZDUSSCGKSA-N 0 0 317.324 0.681 10 0 DCAERN Cn1[nH]cnc1=NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000577611158 397345480 /nfs/dbraw/zinc/34/54/80/397345480.db2.gz MFXUANYHVZPGRA-JTQLQIEISA-N 0 0 303.322 0.589 10 0 DCAERN C[C@H]1OCCN(C(=O)c2noc3c2CCCCC3)[C@@H]1C(N)=O ZINC000408063452 397346142 /nfs/dbraw/zinc/34/61/42/397346142.db2.gz ITVIMLLBIKBROO-RNCFNFMXSA-N 0 0 307.350 0.658 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593710468 397430794 /nfs/dbraw/zinc/43/07/94/397430794.db2.gz HJSZAGISFQBNPF-MZFXBISCSA-N 0 0 320.370 0.560 10 0 DCAERN COC(=O)c1csc(NC(=O)C(=O)N(C)CCCO)c1 ZINC000578422606 397433087 /nfs/dbraw/zinc/43/30/87/397433087.db2.gz VOVNYKHIKSSQIH-UHFFFAOYSA-N 0 0 300.336 0.314 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000472160839 397451314 /nfs/dbraw/zinc/45/13/14/397451314.db2.gz UXNOQUYPNFVKPB-TUAOUCFPSA-N 0 0 319.427 0.229 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1C ZINC000370174637 397452550 /nfs/dbraw/zinc/45/25/50/397452550.db2.gz QEOQLMGHOJAPGH-STQMWFEESA-N 0 0 307.398 0.597 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000621527237 397393528 /nfs/dbraw/zinc/39/35/28/397393528.db2.gz VMBLFMJKDMMUOX-UPJWGTAASA-N 0 0 315.414 0.064 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CC[C@H]1C(=O)OC)CC2 ZINC000367569501 397404024 /nfs/dbraw/zinc/40/40/24/397404024.db2.gz BLJXQXCQSPNAOQ-QJPTWQEYSA-N 0 0 309.362 0.987 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)CCCO ZINC000578212527 397407598 /nfs/dbraw/zinc/40/75/98/397407598.db2.gz XERHSRMBTXTRLB-UHFFFAOYSA-N 0 0 319.361 0.375 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H](CC)O1 ZINC000487128563 397466751 /nfs/dbraw/zinc/46/67/51/397466751.db2.gz NLXGGOWVAXVJSM-BJDJZHNGSA-N 0 0 314.382 0.517 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(SC)CCC1 ZINC000488304080 397488677 /nfs/dbraw/zinc/48/86/77/397488677.db2.gz BWOVJWZTWKHWSK-ZJUUUORDSA-N 0 0 316.423 0.845 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)COC ZINC000488319823 397489264 /nfs/dbraw/zinc/48/92/64/397489264.db2.gz ZITMFRVAJMYXFG-VHSXEESVSA-N 0 0 302.371 0.232 10 0 DCAERN CN1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1 ZINC000370494767 397495184 /nfs/dbraw/zinc/49/51/84/397495184.db2.gz KCULASOIYVSACV-UHFFFAOYSA-N 0 0 303.362 0.724 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000370445760 397486121 /nfs/dbraw/zinc/48/61/21/397486121.db2.gz XQMOIXSHTKPGKP-KYEXWDHISA-N 0 0 320.393 0.623 10 0 DCAERN O=C(NCc1nnc2ccccn21)N[C@@H]1CCc2c[nH]nc2C1 ZINC000370448298 397487447 /nfs/dbraw/zinc/48/74/47/397487447.db2.gz DHYSJKRPYSULHB-LLVKDONJSA-N 0 0 311.349 0.809 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(C)(C)O ZINC000578951626 397504843 /nfs/dbraw/zinc/50/48/43/397504843.db2.gz JDKROYBAUWMAHT-ZJUUUORDSA-N 0 0 302.371 0.110 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000579949950 397599343 /nfs/dbraw/zinc/59/93/43/397599343.db2.gz JXUNXJBULZOXDS-UHFFFAOYSA-N 0 0 303.318 0.162 10 0 DCAERN O=C(NCc1nnnn1C1CC1)c1cc(-c2cccnc2)on1 ZINC000608197862 397720604 /nfs/dbraw/zinc/72/06/04/397720604.db2.gz ZTNUTCFTONLAKR-UHFFFAOYSA-N 0 0 311.305 0.988 10 0 DCAERN Cc1nnc(CN2CCN(Cc3nnc(C4CC4)o3)CC2)[nH]1 ZINC000605422777 397664475 /nfs/dbraw/zinc/66/44/75/397664475.db2.gz UKHHUMOOMYUJIO-UHFFFAOYSA-N 0 0 303.370 0.691 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cncc(O)c1 ZINC000606444929 397681626 /nfs/dbraw/zinc/68/16/26/397681626.db2.gz HKGDZRPSLUSWJZ-HNNXBMFYSA-N 0 0 307.350 0.083 10 0 DCAERN COC(C)(C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000608461578 397732000 /nfs/dbraw/zinc/73/20/00/397732000.db2.gz IOEGKVLHBFIPQH-UHFFFAOYSA-N 0 0 307.416 0.136 10 0 DCAERN COC[C@@H]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000606977057 397692509 /nfs/dbraw/zinc/69/25/09/397692509.db2.gz RKKZKNAQSXPKSD-GFCCVEGCSA-N 0 0 319.427 0.090 10 0 DCAERN CCc1nnc2ccc(N(C)C[C@H]3CCS(=O)(=O)C3)nn21 ZINC000607148405 397696849 /nfs/dbraw/zinc/69/68/49/397696849.db2.gz ZOGUXKHCOIUYFJ-SNVBAGLBSA-N 0 0 309.395 0.558 10 0 DCAERN Cc1c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nnn1C ZINC000607506182 397703131 /nfs/dbraw/zinc/70/31/31/397703131.db2.gz ZNIICHREJHYHLA-CYBMUJFWSA-N 0 0 307.398 0.450 10 0 DCAERN Cn1nccc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000608558746 397738221 /nfs/dbraw/zinc/73/82/21/397738221.db2.gz JCQFWYCCXHFMMI-ZDUSSCGKSA-N 0 0 320.393 0.664 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(C)[nH]1 ZINC000608591376 397738960 /nfs/dbraw/zinc/73/89/60/397738960.db2.gz MHIMIPHIKOHIEU-ZUZCIYMTSA-N 0 0 304.350 0.740 10 0 DCAERN CC1(C)CCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000608664602 397742933 /nfs/dbraw/zinc/74/29/33/397742933.db2.gz YWWRQMGSHOPENJ-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN CSCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000610475568 397824947 /nfs/dbraw/zinc/82/49/47/397824947.db2.gz GXXZBIFWDSBWRS-LLVKDONJSA-N 0 0 301.412 0.429 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000367656784 296588528 /nfs/dbraw/zinc/58/85/28/296588528.db2.gz FXTZPETVRBOUHZ-GFCCVEGCSA-N 0 0 323.393 0.879 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCSC2(CCOCC2)C1 ZINC000408308960 289229298 /nfs/dbraw/zinc/22/92/98/289229298.db2.gz XEBRSKDAHNKMAE-UHFFFAOYSA-N 0 0 322.452 0.002 10 0 DCAERN CCOCCNC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000247103742 286095297 /nfs/dbraw/zinc/09/52/97/286095297.db2.gz ZQFHXJKJIOSDAJ-MCIONIFRSA-N 0 0 312.410 0.945 10 0 DCAERN COc1cc(N2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC000096080723 286231288 /nfs/dbraw/zinc/23/12/88/286231288.db2.gz GRFKBCYAAKDLPR-JQWIXIFHSA-N 0 0 314.349 0.318 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248812 304376377 /nfs/dbraw/zinc/37/63/77/304376377.db2.gz XDVMUHZYCHWHKG-WMLDXEAASA-N 0 0 316.357 0.955 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@]12CCCO2 ZINC000332908204 286377744 /nfs/dbraw/zinc/37/77/44/286377744.db2.gz UOGLACBUBFXIAZ-CTASWTNQSA-N 0 0 310.394 0.840 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000191993330 292324306 /nfs/dbraw/zinc/32/43/06/292324306.db2.gz CFMIANCCADUNKN-QWHCGFSZSA-N 0 0 308.444 0.130 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000332797700 299775146 /nfs/dbraw/zinc/77/51/46/299775146.db2.gz RXPCDUHWUVWWFV-XDQVBPFNSA-N 0 0 314.451 0.800 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H](C)C2 ZINC000155245766 292357902 /nfs/dbraw/zinc/35/79/02/292357902.db2.gz KFDYMXHVMYDXSS-IAQYHMDHSA-N 0 0 317.389 0.549 10 0 DCAERN CCCC(=O)NCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000045911741 158000422 /nfs/dbraw/zinc/00/04/22/158000422.db2.gz CLKGYJPFNPUISZ-CHWSQXEVSA-N 0 0 313.442 0.907 10 0 DCAERN CN1N=C(C(=O)NCC(=O)Nc2ccc(F)cc2)CCC1=O ZINC000064397937 158033497 /nfs/dbraw/zinc/03/34/97/158033497.db2.gz XACRSPRQKGCHAI-UHFFFAOYSA-N 0 0 306.297 0.489 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000065622271 158034513 /nfs/dbraw/zinc/03/45/13/158034513.db2.gz ZKXTVKVYMOJBTP-GFCCVEGCSA-N 0 0 323.418 0.534 10 0 DCAERN O=c1cc(NC[C@H]2CN(C3CC3)CCO2)nc2ccccn12 ZINC000066745827 158038204 /nfs/dbraw/zinc/03/82/04/158038204.db2.gz AAEFDAYKSDMAFG-ZDUSSCGKSA-N 0 0 300.362 0.970 10 0 DCAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000070693882 158047667 /nfs/dbraw/zinc/04/76/67/158047667.db2.gz GQGBOYHFENWZRO-CABCVRRESA-N 0 0 324.421 0.995 10 0 DCAERN COc1c(F)cc(NC(=O)C(=O)NCc2ccnn2C)cc1F ZINC000071062636 158049790 /nfs/dbraw/zinc/04/97/90/158049790.db2.gz WDHPCJKRJUZSIT-UHFFFAOYSA-N 0 0 324.287 0.962 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382113 158051010 /nfs/dbraw/zinc/05/10/10/158051010.db2.gz OYZZZQULGXLGQV-ZDUSSCGKSA-N 0 0 319.471 0.352 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1C ZINC000074675066 158059235 /nfs/dbraw/zinc/05/92/35/158059235.db2.gz KOTIJGSAEVBPCB-CABZTGNLSA-N 0 0 307.398 0.498 10 0 DCAERN Cc1cc(CN(C)[C@H](C)C(=O)N(C)CC(=O)NC2CC2)no1 ZINC000075695677 158061930 /nfs/dbraw/zinc/06/19/30/158061930.db2.gz JIFHUYUYPQKCRI-LLVKDONJSA-N 0 0 308.382 0.540 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)ccc1F ZINC000076097799 158063775 /nfs/dbraw/zinc/06/37/75/158063775.db2.gz ZHVTUEIKVPMSAP-CPCISQLKSA-N 0 0 318.312 0.573 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)nn1 ZINC000079726813 158079159 /nfs/dbraw/zinc/07/91/59/158079159.db2.gz IGBFNIJOIZMNNQ-LLVKDONJSA-N 0 0 319.752 0.834 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)OC ZINC000080713093 158082328 /nfs/dbraw/zinc/08/23/28/158082328.db2.gz GYHFWXIPZPKHGE-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000083774644 158089140 /nfs/dbraw/zinc/08/91/40/158089140.db2.gz BDQCTIIXZWSPHT-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN CC(C)[C@@H](NC(=O)CC1(O)CCCC1)C(=O)N1CCOCC1 ZINC000084367724 158089189 /nfs/dbraw/zinc/08/91/89/158089189.db2.gz CXYPGCRYJXEPMT-CQSZACIVSA-N 0 0 312.410 0.681 10 0 DCAERN Cc1cc(OCC(=O)N[C@H]2CCC(=O)NC2=O)ccc1Cl ZINC000089755670 158098469 /nfs/dbraw/zinc/09/84/69/158098469.db2.gz ZMKYTXLTJDESEW-NSHDSACASA-N 0 0 310.737 0.949 10 0 DCAERN COCCN(C(=O)N[C@H](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000091205032 158107743 /nfs/dbraw/zinc/10/77/43/158107743.db2.gz JZJMTDDGFUFLNH-VXGBXAGGSA-N 0 0 306.428 0.876 10 0 DCAERN Cc1noc(CN2CCN(CC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000101545862 158126709 /nfs/dbraw/zinc/12/67/09/158126709.db2.gz AZPLPSRKASDSDZ-ZDUSSCGKSA-N 0 0 321.425 0.754 10 0 DCAERN CCCNC(=O)[C@H](C)N1CCCN(Cc2noc(C)n2)CC1 ZINC000105866806 158130543 /nfs/dbraw/zinc/13/05/43/158130543.db2.gz YNWKPILWAIHCGP-LBPRGKRZSA-N 0 0 309.414 0.800 10 0 DCAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112656531 158143590 /nfs/dbraw/zinc/14/35/90/158143590.db2.gz VPFRJSUGNFVVMP-GHMZBOCLSA-N 0 0 309.370 0.480 10 0 DCAERN CCC(C)(CC)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000112938047 158144241 /nfs/dbraw/zinc/14/42/41/158144241.db2.gz IAHXAXNIPUSLIJ-UHFFFAOYSA-N 0 0 302.400 0.393 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@H](c3nncn3C)C2)n1 ZINC000114317668 158151609 /nfs/dbraw/zinc/15/16/09/158151609.db2.gz ZRCQLMKKFWVCQO-NSHDSACASA-N 0 0 320.353 0.429 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)S(C)(=O)=O ZINC000114312990 158151761 /nfs/dbraw/zinc/15/17/61/158151761.db2.gz DKMDYWUICFPGSA-DGCLKSJQSA-N 0 0 324.402 0.731 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC000114865339 158159382 /nfs/dbraw/zinc/15/93/82/158159382.db2.gz JAAOESGEYHGKBA-JTQLQIEISA-N 0 0 323.397 0.796 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116113492 158164476 /nfs/dbraw/zinc/16/44/76/158164476.db2.gz DCZNUVVXKXMAIM-WCQYABFASA-N 0 0 308.407 0.657 10 0 DCAERN Cc1ccc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000116208930 158164769 /nfs/dbraw/zinc/16/47/69/158164769.db2.gz KPWITNQYFJEGNH-UHFFFAOYSA-N 0 0 303.362 0.984 10 0 DCAERN O=C(CC1CCOCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000117234340 158169941 /nfs/dbraw/zinc/16/99/41/158169941.db2.gz PMQJGQAOFCPMDV-OAHLLOKOSA-N 0 0 324.421 0.901 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000117369628 158171804 /nfs/dbraw/zinc/17/18/04/158171804.db2.gz ZQOYUKGENOTKGW-ZIAGYGMSSA-N 0 0 319.471 0.616 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCO1 ZINC000117774971 158173531 /nfs/dbraw/zinc/17/35/31/158173531.db2.gz FFWBOOFNWRIDJA-NFAHFFEMSA-N 0 0 311.341 0.961 10 0 DCAERN CCS(=O)(=O)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000118399486 158177429 /nfs/dbraw/zinc/17/74/29/158177429.db2.gz NXQZHENJKVYCCN-CQSZACIVSA-N 0 0 304.456 0.608 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(OC)nn2)C[C@@H]1C ZINC000119149172 158184334 /nfs/dbraw/zinc/18/43/34/158184334.db2.gz UXTLYACEMIICPA-LBPRGKRZSA-N 0 0 308.382 0.668 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000119469704 158187369 /nfs/dbraw/zinc/18/73/69/158187369.db2.gz QMRUYYZEVKWCLL-LBPRGKRZSA-N 0 0 317.393 0.809 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000119597503 158189125 /nfs/dbraw/zinc/18/91/25/158189125.db2.gz SJTGGDMGIZGNCO-LBPRGKRZSA-N 0 0 313.423 0.636 10 0 DCAERN CO[C@H](C)CC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119907211 158190225 /nfs/dbraw/zinc/19/02/25/158190225.db2.gz MJSRCVUIGGSPRO-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1[nH]ccc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119916271 158190417 /nfs/dbraw/zinc/19/04/17/158190417.db2.gz UDTSVTTYHCQHIN-GFCCVEGCSA-N 0 0 311.407 0.963 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(C)CCCO2)CC1 ZINC000120170726 158194831 /nfs/dbraw/zinc/19/48/31/158194831.db2.gz YPGRPFBBZBBZMD-AWEZNQCLSA-N 0 0 318.439 0.876 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NC[C@@]1(CCO)CCOC1 ZINC000120184344 158195010 /nfs/dbraw/zinc/19/50/10/158195010.db2.gz JSYRCVADVORIIG-CQSZACIVSA-N 0 0 320.455 0.874 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc1CC ZINC000120842622 158204413 /nfs/dbraw/zinc/20/44/13/158204413.db2.gz PWFNMDNPVVVPTO-UHFFFAOYSA-N 0 0 305.378 0.954 10 0 DCAERN CC[C@@H](CCO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000120962696 158204856 /nfs/dbraw/zinc/20/48/56/158204856.db2.gz PSDJKJAGVLVJLP-NSHDSACASA-N 0 0 300.380 0.486 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCOC[C@H]2c2nc(C)no2)CC1=O ZINC000121106673 158207636 /nfs/dbraw/zinc/20/76/36/158207636.db2.gz QIYCPBHXJLYRDK-QWRGUYRKSA-N 0 0 308.338 0.146 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CCOC[C@@H]1CCCO1 ZINC000121491986 158211535 /nfs/dbraw/zinc/21/15/35/158211535.db2.gz GGZCIHFZPSAOAY-LBPRGKRZSA-N 0 0 300.399 0.945 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121708873 158214388 /nfs/dbraw/zinc/21/43/88/158214388.db2.gz ZKUIZIYXHBGZLF-GXTWGEPZSA-N 0 0 318.439 0.758 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N[C@@H]1CCc2ncnn2C1 ZINC000122032786 158217629 /nfs/dbraw/zinc/21/76/29/158217629.db2.gz OXSSYGNUCFWQLC-NEPJUHHUSA-N 0 0 309.370 0.088 10 0 DCAERN Cc1ccc(NC(=O)C(=O)c2cnn(C)c2)cc1S(C)(=O)=O ZINC000122401639 158220434 /nfs/dbraw/zinc/22/04/34/158220434.db2.gz SAZRLFCQZHCVPC-UHFFFAOYSA-N 0 0 321.358 0.953 10 0 DCAERN CC(C)(CO)CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000122562068 158221561 /nfs/dbraw/zinc/22/15/61/158221561.db2.gz ZSPWHRMRHFJQGP-CQSZACIVSA-N 0 0 313.442 0.901 10 0 DCAERN COc1ccc(CNC(=O)Cn2nc3cnccn3c2=O)cc1 ZINC000122664832 158222637 /nfs/dbraw/zinc/22/26/37/158222637.db2.gz KWZITLWPKOYMGU-UHFFFAOYSA-N 0 0 313.317 0.216 10 0 DCAERN CCN1C[C@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1=O ZINC000123353796 158229298 /nfs/dbraw/zinc/22/92/98/158229298.db2.gz HXSNNBUJACMHDU-TZMCWYRMSA-N 0 0 303.362 0.930 10 0 DCAERN CC[C@@H]1CN(C(=O)CN(C)C(=O)COC)CCN1CC(F)F ZINC000125596450 158255959 /nfs/dbraw/zinc/25/59/59/158255959.db2.gz UAFSZDAAVMDBJV-LLVKDONJSA-N 0 0 321.368 0.279 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H]1COc2ccccc21 ZINC000126816527 158268689 /nfs/dbraw/zinc/26/86/89/158268689.db2.gz YMEMWJDUBQYTCE-AAEUAGOBSA-N 0 0 324.402 0.991 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000127386211 158272827 /nfs/dbraw/zinc/27/28/27/158272827.db2.gz WTMIDZQQESGCCS-RTXFEEFZSA-N 0 0 307.350 0.522 10 0 DCAERN C[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000127529009 158274028 /nfs/dbraw/zinc/27/40/28/158274028.db2.gz LSIDRSBYQJIVPO-AAEUAGOBSA-N 0 0 306.362 0.884 10 0 DCAERN Cc1cc(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)n[nH]1 ZINC000127497597 158274367 /nfs/dbraw/zinc/27/43/67/158274367.db2.gz LCVVNOLTZPTIIU-CQSZACIVSA-N 0 0 308.382 0.260 10 0 DCAERN CN(C)C(=O)CCNc1cnn(C)c(=O)c1Br ZINC000134575406 158328386 /nfs/dbraw/zinc/32/83/86/158328386.db2.gz JBVYVNMQHIYSDM-UHFFFAOYSA-N 0 0 303.160 0.433 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 ZINC000130735733 158297207 /nfs/dbraw/zinc/29/72/07/158297207.db2.gz ZVAHPRQLISSQRP-NEPJUHHUSA-N 0 0 305.382 0.031 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000131132318 158300815 /nfs/dbraw/zinc/30/08/15/158300815.db2.gz UZGXFJBWVJIWQY-HZSPNIEDSA-N 0 0 306.387 0.682 10 0 DCAERN NC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000131383890 158302176 /nfs/dbraw/zinc/30/21/76/158302176.db2.gz XCPNHHVFPALQIF-SECBINFHSA-N 0 0 322.745 0.354 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)cn1 ZINC000131660061 158304752 /nfs/dbraw/zinc/30/47/52/158304752.db2.gz DUKQECFBPPOJDY-PWSUYJOCSA-N 0 0 306.366 0.645 10 0 DCAERN COc1cccc(N2CCN(C(=O)[C@H]3COCCN3)CC2)c1 ZINC000132013679 158306798 /nfs/dbraw/zinc/30/67/98/158306798.db2.gz AUYJPCJCOSXMQI-OAHLLOKOSA-N 0 0 305.378 0.332 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1csc(-c2ccco2)n1 ZINC000132194981 158308963 /nfs/dbraw/zinc/30/89/63/158308963.db2.gz VWDWBIVDUHMZFI-UHFFFAOYSA-N 0 0 320.330 0.571 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000133274688 158318309 /nfs/dbraw/zinc/31/83/09/158318309.db2.gz VDUUMQMSAXADMX-JTQLQIEISA-N 0 0 307.350 0.539 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CC2 ZINC000133799742 158321497 /nfs/dbraw/zinc/32/14/97/158321497.db2.gz SCAAKTWDVQJRNO-RYUDHWBXSA-N 0 0 319.409 0.701 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000134043441 158324730 /nfs/dbraw/zinc/32/47/30/158324730.db2.gz AHLJBRBGNALYNR-VXGBXAGGSA-N 0 0 319.409 0.701 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)c1cnn(CC)c1)CC2 ZINC000134854113 158330779 /nfs/dbraw/zinc/33/07/79/158330779.db2.gz ZIQQZZKVGCHMGB-NSHDSACASA-N 0 0 316.365 0.371 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)C1CCOCC1 ZINC000134883945 158332709 /nfs/dbraw/zinc/33/27/09/158332709.db2.gz JNQCJPPFUIFZPL-MNOVXSKESA-N 0 0 304.412 0.630 10 0 DCAERN Cc1nc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000135747603 158340319 /nfs/dbraw/zinc/34/03/19/158340319.db2.gz FNQLRFKMQVFWLR-NSHDSACASA-N 0 0 300.384 0.378 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCCC2(C1)OCCO2 ZINC000156396910 158351954 /nfs/dbraw/zinc/35/19/54/158351954.db2.gz LUPVWNKUYRYGON-UHFFFAOYSA-N 0 0 317.345 0.695 10 0 DCAERN COc1ccc(N(C)C(=O)CNC(=O)c2cccnc2)cn1 ZINC000165447951 158364682 /nfs/dbraw/zinc/36/46/82/158364682.db2.gz FDZLRAVJBDYLSY-UHFFFAOYSA-N 0 0 300.318 0.878 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccsc1 ZINC000165845494 158366096 /nfs/dbraw/zinc/36/60/96/158366096.db2.gz OPCWGDPVRDPCKQ-OAHLLOKOSA-N 0 0 319.386 0.897 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094273 158379216 /nfs/dbraw/zinc/37/92/16/158379216.db2.gz BKSZHTFMZKNBBE-LBPRGKRZSA-N 0 0 321.402 0.844 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000171486885 158382864 /nfs/dbraw/zinc/38/28/64/158382864.db2.gz NWPBDNJJHALFDM-YPMHNXCESA-N 0 0 307.394 0.515 10 0 DCAERN Cc1nc(NC(=O)C2CCN(Cc3nccn3C)CC2)n[nH]1 ZINC000171549872 158384850 /nfs/dbraw/zinc/38/48/50/158384850.db2.gz TYVHAKKGFCABGS-UHFFFAOYSA-N 0 0 303.370 0.697 10 0 DCAERN CC(=O)NCCNC(=O)NCCOc1ccc(F)cc1F ZINC000171697298 158386634 /nfs/dbraw/zinc/38/66/34/158386634.db2.gz RUVIKXVDEOSBCQ-UHFFFAOYSA-N 0 0 301.293 0.779 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000171838629 158387843 /nfs/dbraw/zinc/38/78/43/158387843.db2.gz BNLBSTUZWMSGRV-LBPRGKRZSA-N 0 0 312.391 0.903 10 0 DCAERN NS(=O)(=O)CCCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000172260766 158392888 /nfs/dbraw/zinc/39/28/88/158392888.db2.gz RNJVFCLQYOZWRQ-VIFPVBQESA-N 0 0 318.424 0.225 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000172278161 158393391 /nfs/dbraw/zinc/39/33/91/158393391.db2.gz NJFZWCHVDKSVRR-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)N1CCOCC1 ZINC000172360300 158394027 /nfs/dbraw/zinc/39/40/27/158394027.db2.gz CGUXZPBHMAHBTM-OCZCAGDBSA-N 0 0 310.394 0.245 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)N1CCN(c2ncccc2Cl)CC1 ZINC000172561451 158395561 /nfs/dbraw/zinc/39/55/61/158395561.db2.gz HHJQCQAJYLDPJI-VIFPVBQESA-N 0 0 311.773 0.440 10 0 DCAERN CS(=O)(=O)NCCN1CCN(c2ncccc2Cl)CC1 ZINC000172562178 158395832 /nfs/dbraw/zinc/39/58/32/158395832.db2.gz JMMWTFVEJRLWFT-UHFFFAOYSA-N 0 0 318.830 0.406 10 0 DCAERN COC[C@@H]1CN(C(=O)Cn2ccc(=O)c3ccccc32)CCO1 ZINC000172629644 158397742 /nfs/dbraw/zinc/39/77/42/158397742.db2.gz QGBMAMIYICEEEK-ZDUSSCGKSA-N 0 0 316.357 0.875 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172656218 158397890 /nfs/dbraw/zinc/39/78/90/158397890.db2.gz FUEWIRHLYVGNHE-LBPRGKRZSA-N 0 0 318.333 0.808 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CC2CCOCC2)C1 ZINC000173187924 158403972 /nfs/dbraw/zinc/40/39/72/158403972.db2.gz XOTFIWJIDLDNNR-VXGBXAGGSA-N 0 0 304.412 0.377 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000173503051 158406561 /nfs/dbraw/zinc/40/65/61/158406561.db2.gz VTAXAKUDTBYXBI-MFKMUULPSA-N 0 0 306.410 0.953 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)NC1CCCCC1 ZINC000177310639 158446486 /nfs/dbraw/zinc/44/64/86/158446486.db2.gz YGAXENAAGHTCPK-LBPRGKRZSA-N 0 0 320.397 0.861 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000177692191 158449381 /nfs/dbraw/zinc/44/93/81/158449381.db2.gz RLIWMUVBQFMFRB-NSHDSACASA-N 0 0 314.349 0.470 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2csc(-c3cnccn3)n2)C1 ZINC000178136524 158454509 /nfs/dbraw/zinc/45/45/09/158454509.db2.gz XNICBTKPMUWWIB-UHFFFAOYSA-N 0 0 317.374 0.808 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2ccn3ccnc3c2)C[C@H](C)O1 ZINC000178405044 158457361 /nfs/dbraw/zinc/45/73/61/158457361.db2.gz IJJJAXLVCYTHNN-RYUDHWBXSA-N 0 0 324.406 0.778 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178738519 158463530 /nfs/dbraw/zinc/46/35/30/158463530.db2.gz YKCJMADBKAWJCR-FUNVUKJBSA-N 0 0 311.426 0.951 10 0 DCAERN CCS(=O)(=O)NCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000179419860 158472245 /nfs/dbraw/zinc/47/22/45/158472245.db2.gz GKALITGLDWYZLU-UHFFFAOYSA-N 0 0 300.424 0.867 10 0 DCAERN CC(C)c1noc2ncc(C(=O)N3CCOC[C@H]3C(N)=O)cc21 ZINC000180217144 158476968 /nfs/dbraw/zinc/47/69/68/158476968.db2.gz PTMPWOPPUYYOAX-NSHDSACASA-N 0 0 318.333 0.673 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCCOCCO)cnc12 ZINC000181364386 158485107 /nfs/dbraw/zinc/48/51/07/158485107.db2.gz CKNMLKUVTHSKMC-UHFFFAOYSA-N 0 0 305.334 0.132 10 0 DCAERN COC(=O)[C@H](O)CNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184256915 158506722 /nfs/dbraw/zinc/50/67/22/158506722.db2.gz SFTJGPUKCMKYRD-LLVKDONJSA-N 0 0 304.302 0.914 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000185015712 158513304 /nfs/dbraw/zinc/51/33/04/158513304.db2.gz CMGIMMWLLMBZDJ-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1cccc(F)c1 ZINC000188611893 158545799 /nfs/dbraw/zinc/54/57/99/158545799.db2.gz PMWHQSXADIUUGG-TZMCWYRMSA-N 0 0 310.325 0.302 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000188888548 158548422 /nfs/dbraw/zinc/54/84/22/158548422.db2.gz XURQXLMBUHLPNF-SECBINFHSA-N 0 0 314.363 0.175 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189334374 158551675 /nfs/dbraw/zinc/55/16/75/158551675.db2.gz VGQIKZVCQOWHJQ-LLVKDONJSA-N 0 0 318.377 0.794 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190523019 158560935 /nfs/dbraw/zinc/56/09/35/158560935.db2.gz BYCMLYXDOZUDNY-GFCCVEGCSA-N 0 0 309.370 0.122 10 0 DCAERN CCn1cc([C@@H]2CN(CCS(=O)(=O)CC)CCO2)cn1 ZINC000190791444 158563695 /nfs/dbraw/zinc/56/36/95/158563695.db2.gz BUSWGRGIFOJIHI-ZDUSSCGKSA-N 0 0 301.412 0.711 10 0 DCAERN CN(CC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(N)=O ZINC000191576740 158569114 /nfs/dbraw/zinc/56/91/14/158569114.db2.gz NJFBVPQRPATVTC-LBPRGKRZSA-N 0 0 322.340 0.053 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O ZINC000228064013 158619493 /nfs/dbraw/zinc/61/94/93/158619493.db2.gz UVIMNOSVANHMQD-WCBMZHEXSA-N 0 0 307.803 0.903 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)cn1 ZINC000246991166 158674615 /nfs/dbraw/zinc/67/46/15/158674615.db2.gz PFYFXIPUBBZOAF-MNOVXSKESA-N 0 0 303.409 0.315 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000249037012 158701744 /nfs/dbraw/zinc/70/17/44/158701744.db2.gz SUMZGQIGOZFLOR-WDEREUQCSA-N 0 0 314.411 0.016 10 0 DCAERN CN1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)CC1=O ZINC000249062786 158702263 /nfs/dbraw/zinc/70/22/63/158702263.db2.gz RMLHYUULTDJZEK-FRRDWIJNSA-N 0 0 312.435 0.978 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000249370154 158705476 /nfs/dbraw/zinc/70/54/76/158705476.db2.gz OWAOTTHDQMNMAR-DLOVCJGASA-N 0 0 305.334 0.403 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000276445170 158933565 /nfs/dbraw/zinc/93/35/65/158933565.db2.gz FYZZSMZXFBNQBC-ZDUSSCGKSA-N 0 0 317.172 0.985 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000285180821 158963870 /nfs/dbraw/zinc/96/38/70/158963870.db2.gz VKEGQFIVVPIWBF-APPZFPTMSA-N 0 0 316.310 0.002 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285595070 158965772 /nfs/dbraw/zinc/96/57/72/158965772.db2.gz RBEPZVRHCZFZEJ-OWRWGESLSA-N 0 0 320.345 0.054 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2coc(Br)c2)C1 ZINC000285742209 158967074 /nfs/dbraw/zinc/96/70/74/158967074.db2.gz YZEAUEXIWOZUQJ-NSHDSACASA-N 0 0 317.139 0.495 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611241 159014346 /nfs/dbraw/zinc/01/43/46/159014346.db2.gz OIBIVCZDEJFYEZ-HUUCEWRRSA-N 0 0 319.409 0.359 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328638213 159016621 /nfs/dbraw/zinc/01/66/21/159016621.db2.gz DCUOFHWZBHGRFG-QWRGUYRKSA-N 0 0 317.411 0.555 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCN[C@H](c3cccnc3)C2)CC1=O ZINC000328636330 159016623 /nfs/dbraw/zinc/01/66/23/159016623.db2.gz AGEITGREZQRHJA-OCCSQVGLSA-N 0 0 302.378 0.423 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCN(Cc2cccs2)CC1 ZINC000328639959 159016700 /nfs/dbraw/zinc/01/67/00/159016700.db2.gz DXBJDIKTEUASIJ-UHFFFAOYSA-N 0 0 322.390 0.784 10 0 DCAERN O=C(c1cc(F)cc2n[nH]nc21)N1CCN(C2CC2)C(=O)C1 ZINC000328640305 159017084 /nfs/dbraw/zinc/01/70/84/159017084.db2.gz CLVLXMQUQJDUKJ-UHFFFAOYSA-N 0 0 303.297 0.544 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328665827 159018442 /nfs/dbraw/zinc/01/84/42/159018442.db2.gz ZNGPDODGMOSUTL-KBPBESRZSA-N 0 0 323.418 0.522 10 0 DCAERN CN(C)c1cnc(C(=O)N2CCN[C@@H](c3cccnc3)C2)cn1 ZINC000328663740 159018906 /nfs/dbraw/zinc/01/89/06/159018906.db2.gz YCWCJCSNHZKYDF-CQSZACIVSA-N 0 0 312.377 0.724 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670494 159019349 /nfs/dbraw/zinc/01/93/49/159019349.db2.gz MQUCULRSTGNYMA-QWHCGFSZSA-N 0 0 307.398 0.623 10 0 DCAERN Cc1cnn(C[C@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672396 159019772 /nfs/dbraw/zinc/01/97/72/159019772.db2.gz OGPBFLYMHCSIDI-HUUCEWRRSA-N 0 0 304.394 0.656 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328676817 159020696 /nfs/dbraw/zinc/02/06/96/159020696.db2.gz RWZXTELOHSZWBP-NEPJUHHUSA-N 0 0 311.382 0.327 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858565 159035170 /nfs/dbraw/zinc/03/51/70/159035170.db2.gz DORYZHBAIGWORD-CABCVRRESA-N 0 0 312.410 0.504 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911005 159040918 /nfs/dbraw/zinc/04/09/18/159040918.db2.gz NVOLZMURZPFUKJ-UONOGXRCSA-N 0 0 302.378 0.899 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000328984674 159049683 /nfs/dbraw/zinc/04/96/83/159049683.db2.gz SWLXBTCYESXETR-ZIAGYGMSSA-N 0 0 306.410 0.532 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000329036270 159053779 /nfs/dbraw/zinc/05/37/79/159053779.db2.gz RGRFGJVIFOTOQZ-ZOBORPQBSA-N 0 0 310.394 0.792 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](OC)[C@@H](OC)C1 ZINC000329060995 159056991 /nfs/dbraw/zinc/05/69/91/159056991.db2.gz USTUAJREABTBRV-ZOBORPQBSA-N 0 0 323.393 0.853 10 0 DCAERN Cc1c(C(=O)N2CCO[C@H](C3CC3)C2)nnn1-c1ccn(C)n1 ZINC000329132723 159065928 /nfs/dbraw/zinc/06/59/28/159065928.db2.gz PISBEVLXGUUHOA-LBPRGKRZSA-N 0 0 316.365 0.560 10 0 DCAERN C[C@H]1CCN(C(=O)c2cncc(N3CCOCC3)c2)C[C@@H]1O ZINC000329168302 159069474 /nfs/dbraw/zinc/06/94/74/159069474.db2.gz IYRXHVNTNWOMLM-WFASDCNBSA-N 0 0 305.378 0.761 10 0 DCAERN CS(=O)(=O)CC1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329232739 159074569 /nfs/dbraw/zinc/07/45/69/159074569.db2.gz LMRPZGJIZXKUEF-XQQFMLRXSA-N 0 0 301.408 0.695 10 0 DCAERN C[S@](=O)c1nncn1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329240969 159075489 /nfs/dbraw/zinc/07/54/89/159075489.db2.gz NCSGWJPVDYHFOO-HJTOQOCKSA-N 0 0 312.395 0.186 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000329246968 159076277 /nfs/dbraw/zinc/07/62/77/159076277.db2.gz AYDHHXPNMKGBJQ-GFCCVEGCSA-N 0 0 313.427 0.549 10 0 DCAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)[C@H]1CCOC1)C2=O ZINC000329262206 159077469 /nfs/dbraw/zinc/07/74/69/159077469.db2.gz FCNKFYPAXNMXDT-WQGACYEGSA-N 0 0 323.393 0.939 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329273211 159078360 /nfs/dbraw/zinc/07/83/60/159078360.db2.gz IWXJAFGWIANOMA-VHSXEESVSA-N 0 0 308.338 0.736 10 0 DCAERN C[C@H]1C(=O)N([C@@H]2CCCN(c3nccn(C)c3=O)C2)C(=O)N1C ZINC000329273339 159078367 /nfs/dbraw/zinc/07/83/67/159078367.db2.gz IEFJXZUBNMRMLS-WDEREUQCSA-N 0 0 319.365 0.032 10 0 DCAERN CCC[C@H]1C[C@H]1N1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC000329269558 159078521 /nfs/dbraw/zinc/07/85/21/159078521.db2.gz GVUYOJJFWADVNZ-VHSXEESVSA-N 0 0 300.380 0.879 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2 ZINC000329285354 159079238 /nfs/dbraw/zinc/07/92/38/159079238.db2.gz LSLKJLCIIMRCMZ-GHMZBOCLSA-N 0 0 313.427 0.852 10 0 DCAERN Cc1ncncc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000329301669 159081017 /nfs/dbraw/zinc/08/10/17/159081017.db2.gz WHPNGMXYQIYPMJ-CYBMUJFWSA-N 0 0 320.418 0.965 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)nn1 ZINC000329328685 159082959 /nfs/dbraw/zinc/08/29/59/159082959.db2.gz KOTKPCMUSXGPOH-FPQZTECRSA-N 0 0 310.354 0.114 10 0 DCAERN CC(C)[C@@H]1N(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@@]12CCCO2 ZINC000329335340 159083037 /nfs/dbraw/zinc/08/30/37/159083037.db2.gz OLWHZDKWJFIADS-HZMBPMFUSA-N 0 0 308.338 0.500 10 0 DCAERN O=C([C@H]1COCCO1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329406475 159089894 /nfs/dbraw/zinc/08/98/94/159089894.db2.gz AYPCPVHJVRNEAA-WCQYABFASA-N 0 0 306.366 0.734 10 0 DCAERN CN(C(=O)[C@H]1C[C@@]12CCOc1ccccc12)[C@@H]1COC[C@H]1O ZINC000329416163 159090320 /nfs/dbraw/zinc/09/03/20/159090320.db2.gz ZBVOOMXRDOWKST-VMUDFCTBSA-N 0 0 303.358 0.945 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000329446449 159093471 /nfs/dbraw/zinc/09/34/71/159093471.db2.gz BOVGFKHHRVWCQQ-ZDUSSCGKSA-N 0 0 312.329 0.845 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCS1(=O)=O ZINC000329465771 159095325 /nfs/dbraw/zinc/09/53/25/159095325.db2.gz VHQVKRFZPYZRJB-SNVBAGLBSA-N 0 0 321.358 0.996 10 0 DCAERN CC(C)CN1CCN(C(=O)c2cnn3ccncc23)CC1=O ZINC000329484762 159096187 /nfs/dbraw/zinc/09/61/87/159096187.db2.gz FTLXJDWKEBSYRD-UHFFFAOYSA-N 0 0 301.350 0.670 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC2(C1)CCCOC2 ZINC000329472985 159096561 /nfs/dbraw/zinc/09/65/61/159096561.db2.gz SJMWHXUFHBMKDX-UHFFFAOYSA-N 0 0 302.338 0.048 10 0 DCAERN Cn1nnc(CSCC(=O)N2CCO[C@H]3CCCC[C@H]32)n1 ZINC000329611844 159106138 /nfs/dbraw/zinc/10/61/38/159106138.db2.gz CIIZYKNYCCGEKZ-MNOVXSKESA-N 0 0 311.411 0.613 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000329618805 159107017 /nfs/dbraw/zinc/10/70/17/159107017.db2.gz GHANPIMNTYKAFI-NWANDNLSSA-N 0 0 309.410 0.176 10 0 DCAERN CC[N@@H+]1CCCN(C(=O)CN(C)Cc2nnc(C)n2C)CC1 ZINC000329677050 159111017 /nfs/dbraw/zinc/11/10/17/159111017.db2.gz UZRBPVRJSCINHX-UHFFFAOYSA-N 0 0 308.430 0.110 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2COCCN2C1=O ZINC000329702279 159112544 /nfs/dbraw/zinc/11/25/44/159112544.db2.gz HTPRXFIYKIOEKK-CYZMBNFOSA-N 0 0 320.349 0.161 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329695755 159113366 /nfs/dbraw/zinc/11/33/66/159113366.db2.gz XPWWRIPXQCWPRF-KGLIPLIRSA-N 0 0 305.382 0.528 10 0 DCAERN Cc1cc(C(F)(F)F)nn1CC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329721611 159114447 /nfs/dbraw/zinc/11/44/47/159114447.db2.gz NCINLLIEQZUHIW-AOOOYVTPSA-N 0 0 319.283 0.837 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3snnc3C3CC3)C[C@@H]21 ZINC000329737762 159116643 /nfs/dbraw/zinc/11/66/43/159116643.db2.gz TXNJPVGPMUUBSH-WDEREUQCSA-N 0 0 308.407 0.961 10 0 DCAERN CN1CC[C@H]2OCCN(C(=O)c3snnc3C3CC3)[C@H]2C1 ZINC000329805350 159120861 /nfs/dbraw/zinc/12/08/61/159120861.db2.gz KQSGWSXCVFLRQI-WDEREUQCSA-N 0 0 308.407 0.961 10 0 DCAERN CN1CC[C@@H]2OCCN(C(=O)c3snnc3C3CC3)[C@@H]2C1 ZINC000329805340 159120937 /nfs/dbraw/zinc/12/09/37/159120937.db2.gz KQSGWSXCVFLRQI-MNOVXSKESA-N 0 0 308.407 0.961 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1C ZINC000329820962 159121726 /nfs/dbraw/zinc/12/17/26/159121726.db2.gz GZORZRJQSLUBAU-LLVKDONJSA-N 0 0 303.370 0.273 10 0 DCAERN CC1(CCS(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000329836933 159122798 /nfs/dbraw/zinc/12/27/98/159122798.db2.gz LWZKTXXSUNNHPE-LLVKDONJSA-N 0 0 324.468 0.378 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N1CC(O)(C2CC2)C1 ZINC000329901485 159127792 /nfs/dbraw/zinc/12/77/92/159127792.db2.gz GYXSCWCQTDGHDE-UHFFFAOYSA-N 0 0 301.306 0.210 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCn2ncnc2C1 ZINC000329960424 159132224 /nfs/dbraw/zinc/13/22/24/159132224.db2.gz NWJPQZNNLIOZTC-QWRGUYRKSA-N 0 0 323.422 0.568 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2CCOC[C@H]2C1 ZINC000330107603 159142364 /nfs/dbraw/zinc/14/23/64/159142364.db2.gz MJVHGZCDLXJIQI-OWCLPIDISA-N 0 0 317.389 0.702 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCO[C@@H](C4CC4)C3)C2=O)n(C)n1 ZINC000330137588 159144760 /nfs/dbraw/zinc/14/47/60/159144760.db2.gz NXLUUCAMZACYGL-UONOGXRCSA-N 0 0 304.394 0.945 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)CCO1 ZINC000330147275 159145815 /nfs/dbraw/zinc/14/58/15/159145815.db2.gz UAOWLPUUCQIPGO-GFCCVEGCSA-N 0 0 304.412 0.453 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)cn1 ZINC000330161358 159146427 /nfs/dbraw/zinc/14/64/27/159146427.db2.gz SXGVZTCNXYDZPD-HIFRSBDPSA-N 0 0 322.409 0.524 10 0 DCAERN CO[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H]1OC ZINC000330156276 159146685 /nfs/dbraw/zinc/14/66/85/159146685.db2.gz YSAFXTYZOVKNBN-VZZFWQQMSA-N 0 0 309.366 0.370 10 0 DCAERN CC(C)N1C[C@@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330276195 159156407 /nfs/dbraw/zinc/15/64/07/159156407.db2.gz MNMROUADJWMOCP-CABZTGNLSA-N 0 0 305.338 0.227 10 0 DCAERN Cn1ccnc1N1CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1 ZINC000330287397 159156973 /nfs/dbraw/zinc/15/69/73/159156973.db2.gz BDYLTGZXPGUDSN-HNNXBMFYSA-N 0 0 305.382 0.825 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC[C@H](OC)C2)cn1 ZINC000330317846 159159922 /nfs/dbraw/zinc/15/99/22/159159922.db2.gz BYHNBSPAMHILFA-SOUVJXGZSA-N 0 0 323.393 0.854 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@@]3(C)CCCNC3=O)CC2)cn1 ZINC000330325946 159160047 /nfs/dbraw/zinc/16/00/47/159160047.db2.gz UXYAIKFAXJWFCC-HNNXBMFYSA-N 0 0 305.382 0.825 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)N2CCCC2)C1 ZINC000330346711 159161326 /nfs/dbraw/zinc/16/13/26/159161326.db2.gz GYAMXQMPWRDPGK-WDEREUQCSA-N 0 0 316.383 0.480 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)COCC(F)(F)F ZINC000330428245 159171979 /nfs/dbraw/zinc/17/19/79/159171979.db2.gz KYFXVVCMEHITJI-APPZFPTMSA-N 0 0 314.329 0.991 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332708353 159210811 /nfs/dbraw/zinc/21/08/11/159210811.db2.gz XQTSGJLYTKTLKH-AGIUHOORSA-N 0 0 307.394 0.705 10 0 DCAERN C[C@@H](CNC(=O)C[C@H]1CCCCNC1=O)C[NH+]1CCN(C)CC1 ZINC000332748203 159212869 /nfs/dbraw/zinc/21/28/69/159212869.db2.gz QEUUOHXVRZUHMS-LSDHHAIUSA-N 0 0 324.469 0.293 10 0 DCAERN CN1C[C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1=O ZINC000332807559 159214421 /nfs/dbraw/zinc/21/44/21/159214421.db2.gz MJGWZEGFMOYGNT-CABZTGNLSA-N 0 0 319.386 0.836 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000332888323 159215934 /nfs/dbraw/zinc/21/59/34/159215934.db2.gz ZKZDACQUTLHOMV-KGLIPLIRSA-N 0 0 301.346 0.529 10 0 DCAERN CCOc1cc(C)ccc1CNC(=O)C(=O)N(C)CCCO ZINC000360515923 159271263 /nfs/dbraw/zinc/27/12/63/159271263.db2.gz PKPWMVURBGXZES-UHFFFAOYSA-N 0 0 308.378 0.851 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000365014404 159277203 /nfs/dbraw/zinc/27/72/03/159277203.db2.gz HKBJOHPXNVRREO-DGCLKSJQSA-N 0 0 319.361 0.600 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000366813106 159289293 /nfs/dbraw/zinc/28/92/93/159289293.db2.gz WHPQTVZJHNWCKS-QWHCGFSZSA-N 0 0 306.410 0.745 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C[C@H]1C ZINC000366894425 159295862 /nfs/dbraw/zinc/29/58/62/159295862.db2.gz UAYXBLFEXXTUSD-JHJVBQTASA-N 0 0 310.394 0.950 10 0 DCAERN Cc1ncc(C(=O)N2CCN3CCOC[C@@H]3C2)c(C2CC2)n1 ZINC000366957998 159301107 /nfs/dbraw/zinc/30/11/07/159301107.db2.gz IELDSFDCBUKOED-ZDUSSCGKSA-N 0 0 302.378 0.819 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000367016838 159304798 /nfs/dbraw/zinc/30/47/98/159304798.db2.gz SRGGKJZDIKRRJP-IOASZLSFSA-N 0 0 309.410 0.977 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@H](OC)C[C@H]1CO ZINC000367040487 159307517 /nfs/dbraw/zinc/30/75/17/159307517.db2.gz JXAYHCRQXMUQCQ-WDEREUQCSA-N 0 0 301.364 0.466 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000367344611 159332105 /nfs/dbraw/zinc/33/21/05/159332105.db2.gz ZIESDOJBGDSDNC-JTQLQIEISA-N 0 0 319.365 0.244 10 0 DCAERN CNS(=O)(=O)N1CCC(C(=O)N2CCCC23CCC3)CC1 ZINC000367517507 159342712 /nfs/dbraw/zinc/34/27/12/159342712.db2.gz BNVCDXYDCOGLDV-UHFFFAOYSA-N 0 0 315.439 0.708 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000367645833 159348082 /nfs/dbraw/zinc/34/80/82/159348082.db2.gz OAFYQPKRQCQRAD-JTQLQIEISA-N 0 0 316.379 0.781 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCN2CCOC[C@@H]2C1 ZINC000368643295 159408131 /nfs/dbraw/zinc/40/81/31/159408131.db2.gz QWEOHAMETFTAOF-ZDUSSCGKSA-N 0 0 308.382 0.113 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCC[C@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000371812484 159587981 /nfs/dbraw/zinc/58/79/81/159587981.db2.gz HTJWNJXMCICCNR-GRYCIOLGSA-N 0 0 323.393 0.517 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCC(=O)NCC(F)F ZINC000374961927 159762779 /nfs/dbraw/zinc/76/27/79/159762779.db2.gz KGPUBJGKXYRJSY-SECBINFHSA-N 0 0 315.324 0.478 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)n[nH]1 ZINC000375313042 159783665 /nfs/dbraw/zinc/78/36/65/159783665.db2.gz KZNAROSPALONKZ-UONOGXRCSA-N 0 0 314.393 0.904 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000375864455 159824241 /nfs/dbraw/zinc/82/42/41/159824241.db2.gz BDYKCVKXJZDYMT-HSMVNMDESA-N 0 0 311.378 0.982 10 0 DCAERN C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CC(n2ccnn2)C1 ZINC000376049698 159835889 /nfs/dbraw/zinc/83/58/89/159835889.db2.gz FNDUYRBUVRCCRX-LLVKDONJSA-N 0 0 300.318 0.941 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000407953845 159996174 /nfs/dbraw/zinc/99/61/74/159996174.db2.gz CHLNZOGELXIQKR-WZRBSPASSA-N 0 0 304.394 0.685 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1CCN(C2CC2)C(=O)C1 ZINC000407957273 159996424 /nfs/dbraw/zinc/99/64/24/159996424.db2.gz OAZIZQJPIIFPGO-UHFFFAOYSA-N 0 0 315.377 0.524 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407968568 159999292 /nfs/dbraw/zinc/99/92/92/159999292.db2.gz GOAMZODGEQNJEM-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)n1nnnc1C(C)(C)C ZINC000407972669 160000133 /nfs/dbraw/zinc/00/01/33/160000133.db2.gz VFQHPGTXTCHYKA-ZJUUUORDSA-N 0 0 308.386 0.221 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)CC(=O)N1C ZINC000407973572 160000261 /nfs/dbraw/zinc/00/02/61/160000261.db2.gz YOKPSNUFOICMRO-JTQLQIEISA-N 0 0 302.334 0.983 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000407979073 160001803 /nfs/dbraw/zinc/00/18/03/160001803.db2.gz OLOMLELGCMRLBK-ZIAGYGMSSA-N 0 0 311.426 0.470 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000407987355 160003626 /nfs/dbraw/zinc/00/36/26/160003626.db2.gz CLUAXRJVGVPLTR-CHWSQXEVSA-N 0 0 310.394 0.903 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000407990871 160004470 /nfs/dbraw/zinc/00/44/70/160004470.db2.gz QSRRWOFQOZIICI-ZDUSSCGKSA-N 0 0 313.423 0.377 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000407991052 160005743 /nfs/dbraw/zinc/00/57/43/160005743.db2.gz SOFWZNJGDXBVLY-RBSFLKMASA-N 0 0 324.421 0.633 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000407999717 160006752 /nfs/dbraw/zinc/00/67/52/160006752.db2.gz YQXMQYBOVZEDKM-NXEZZACHSA-N 0 0 300.380 0.848 10 0 DCAERN C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cn[nH]c1 ZINC000408005993 160008538 /nfs/dbraw/zinc/00/85/38/160008538.db2.gz UUPZLRFDCLBJLV-SNVBAGLBSA-N 0 0 315.399 0.148 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CO)c2cnn(C)c2)C1 ZINC000408006240 160009118 /nfs/dbraw/zinc/00/91/18/160009118.db2.gz ZCEUFCFRBMATNX-PWSUYJOCSA-N 0 0 302.400 0.020 10 0 DCAERN C[C@H](Cn1cncn1)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408007201 160009366 /nfs/dbraw/zinc/00/93/66/160009366.db2.gz GNQAWTSQRYRZQG-GRYCIOLGSA-N 0 0 301.416 0.479 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCS(=O)(=O)CC1 ZINC000408010644 160010276 /nfs/dbraw/zinc/01/02/76/160010276.db2.gz LMIZCHSLXWLROQ-UHFFFAOYSA-N 0 0 314.411 0.019 10 0 DCAERN CN1C(=O)N(CC(=O)NC2CCOCC2)C(=O)C12CCCCC2 ZINC000408012104 160010426 /nfs/dbraw/zinc/01/04/26/160010426.db2.gz ZVZDZYZQTNMBLQ-UHFFFAOYSA-N 0 0 323.393 0.879 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000408016265 160012026 /nfs/dbraw/zinc/01/20/26/160012026.db2.gz JCEINXOBTWZMOS-KGLIPLIRSA-N 0 0 311.407 0.484 10 0 DCAERN CN(C(=O)NCC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408019580 160012779 /nfs/dbraw/zinc/01/27/79/160012779.db2.gz YAKPUBMVZYLUOL-LLVKDONJSA-N 0 0 304.412 0.510 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(C)cc(=O)[nH]3)CCO2)[nH]1 ZINC000408018125 160013341 /nfs/dbraw/zinc/01/33/41/160013341.db2.gz YBOFQKWTUURNOB-NSHDSACASA-N 0 0 303.322 0.736 10 0 DCAERN COc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(C)n1 ZINC000408022675 160013657 /nfs/dbraw/zinc/01/36/57/160013657.db2.gz NDWJQHWJPCIPAA-KBPBESRZSA-N 0 0 305.378 0.944 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2S(=O)(=O)CCCF)n1 ZINC000408030760 160016335 /nfs/dbraw/zinc/01/63/35/160016335.db2.gz NGIWONYWNVASLI-SCZZXKLOSA-N 0 0 307.347 0.829 10 0 DCAERN Cc1csc2ncc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)c(=O)n12 ZINC000408037436 160019002 /nfs/dbraw/zinc/01/90/02/160019002.db2.gz DLORXVQVJYRUIE-GMSGAONNSA-N 0 0 320.374 0.258 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408037983 160019447 /nfs/dbraw/zinc/01/94/47/160019447.db2.gz HQDDZQRKIGSETQ-GFCCVEGCSA-N 0 0 304.394 0.775 10 0 DCAERN CCC1(CO)CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000408037875 160019539 /nfs/dbraw/zinc/01/95/39/160019539.db2.gz IUMKHSXGWDCEJU-LBPRGKRZSA-N 0 0 300.424 0.919 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000408038090 160019650 /nfs/dbraw/zinc/01/96/50/160019650.db2.gz KGTYMMJGLJJHJC-OLZOCXBDSA-N 0 0 305.382 0.528 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c2cnn(C)c2n1 ZINC000408038511 160019922 /nfs/dbraw/zinc/01/99/22/160019922.db2.gz MGYGONYTUGXBOC-PRHODGIISA-N 0 0 301.350 0.470 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000408044412 160021254 /nfs/dbraw/zinc/02/12/54/160021254.db2.gz NOQMOPOLLVLTOG-WFASDCNBSA-N 0 0 302.374 0.768 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000408046689 160021392 /nfs/dbraw/zinc/02/13/92/160021392.db2.gz MSAYNOGMPMCOTM-NQBHXWOUSA-N 0 0 324.343 0.917 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000408044229 160021673 /nfs/dbraw/zinc/02/16/73/160021673.db2.gz NBJKNMYGGICLDJ-OLZOCXBDSA-N 0 0 309.410 0.714 10 0 DCAERN Cc1noc([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)n1 ZINC000408053304 160024185 /nfs/dbraw/zinc/02/41/85/160024185.db2.gz OEXYRBOHBGFEQO-CMPLNLGQSA-N 0 0 306.366 0.952 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NC2Cc3ccccc3C2)C1 ZINC000408054872 160024576 /nfs/dbraw/zinc/02/45/76/160024576.db2.gz PCZGZVSOYUIBPG-KRWDZBQOSA-N 0 0 302.374 0.643 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408054993 160025016 /nfs/dbraw/zinc/02/50/16/160025016.db2.gz VVGTZUJXCRPUDT-DAXOMENPSA-N 0 0 312.410 0.680 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000408063709 160026445 /nfs/dbraw/zinc/02/64/45/160026445.db2.gz RXTNCIVMWHSZKD-QWHCGFSZSA-N 0 0 305.382 0.700 10 0 DCAERN COC(=O)C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 ZINC000408065430 160026530 /nfs/dbraw/zinc/02/65/30/160026530.db2.gz OFVVEQXWIIHRFN-MNOVXSKESA-N 0 0 309.366 0.343 10 0 DCAERN Cc1nnc2ccc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)cn12 ZINC000408063972 160026593 /nfs/dbraw/zinc/02/65/93/160026593.db2.gz YECITGNCZYMFTC-KOLCDFICSA-N 0 0 301.350 0.764 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000408063699 160026706 /nfs/dbraw/zinc/02/67/06/160026706.db2.gz RXTNCIVMWHSZKD-CHWSQXEVSA-N 0 0 305.382 0.700 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)oc1C ZINC000408091169 160033137 /nfs/dbraw/zinc/03/31/37/160033137.db2.gz TUVSIUJSRMTBDU-LDYMZIIASA-N 0 0 317.363 0.766 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC000408090129 160033308 /nfs/dbraw/zinc/03/33/08/160033308.db2.gz BIWJZOQGWGSWLV-CQSZACIVSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)o1 ZINC000408096681 160034817 /nfs/dbraw/zinc/03/48/17/160034817.db2.gz FGMBXCITDQKWJM-UHFFFAOYSA-N 0 0 310.379 0.832 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408094889 160035232 /nfs/dbraw/zinc/03/52/32/160035232.db2.gz JPFRAGSAFWWGNO-LOWDOPEQSA-N 0 0 323.393 0.589 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)o1 ZINC000408099829 160035555 /nfs/dbraw/zinc/03/55/55/160035555.db2.gz YTHQWHPBMQWISI-UHFFFAOYSA-N 0 0 322.408 0.244 10 0 DCAERN CC(C)[C@@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408104917 160036235 /nfs/dbraw/zinc/03/62/35/160036235.db2.gz GDVGDQWEESFIKC-JHJVBQTASA-N 0 0 320.455 0.727 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000408105901 160037010 /nfs/dbraw/zinc/03/70/10/160037010.db2.gz WHFZETQFGUJMNI-KBPBESRZSA-N 0 0 308.382 0.041 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)C1 ZINC000408113973 160038827 /nfs/dbraw/zinc/03/88/27/160038827.db2.gz ZTUFMWVMQJTIOR-SDDRHHMPSA-N 0 0 304.412 0.078 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C)C[C@@H]1C ZINC000408113350 160039071 /nfs/dbraw/zinc/03/90/71/160039071.db2.gz RPNJUFJAPVJXGD-STQMWFEESA-N 0 0 317.455 0.353 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000408118266 160040082 /nfs/dbraw/zinc/04/00/82/160040082.db2.gz PJKPKFMJSRXPOM-KBPBESRZSA-N 0 0 311.426 0.424 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408126489 160042656 /nfs/dbraw/zinc/04/26/56/160042656.db2.gz PDGNZEHZUGWTNF-ZDUSSCGKSA-N 0 0 305.378 0.945 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408126932 160042750 /nfs/dbraw/zinc/04/27/50/160042750.db2.gz CBXSMSZSHMKORW-GJZGRUSLSA-N 0 0 321.421 0.858 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000408127051 160042762 /nfs/dbraw/zinc/04/27/62/160042762.db2.gz VDJNNHZDGBUKNX-MNOVXSKESA-N 0 0 303.366 0.455 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000408129453 160043470 /nfs/dbraw/zinc/04/34/70/160043470.db2.gz PPHOHYMQPAKMNW-MNOVXSKESA-N 0 0 313.423 0.283 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)c1=O ZINC000408133385 160044512 /nfs/dbraw/zinc/04/45/12/160044512.db2.gz NWFJKKOKXCJLGI-MRXNPFEDSA-N 0 0 316.361 0.805 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408136470 160044776 /nfs/dbraw/zinc/04/47/76/160044776.db2.gz FASBLYXMFFNIHJ-CYBMUJFWSA-N 0 0 305.444 0.226 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1CO ZINC000408136157 160045321 /nfs/dbraw/zinc/04/53/21/160045321.db2.gz BMKGNVRQZOBNLU-DGCLKSJQSA-N 0 0 318.439 0.277 10 0 DCAERN CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(F)(F)F ZINC000408138738 160045951 /nfs/dbraw/zinc/04/59/51/160045951.db2.gz NEDIYEIMZHLHEG-QMMMGPOBSA-N 0 0 323.358 0.778 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](C(=O)N2CCC(c3nccs3)CC2)O1 ZINC000408151072 160048616 /nfs/dbraw/zinc/04/86/16/160048616.db2.gz YTXNTJSRNHZUDW-MNOVXSKESA-N 0 0 309.391 0.882 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)N3CCOCC3)CC2)n1 ZINC000408156396 160049266 /nfs/dbraw/zinc/04/92/66/160049266.db2.gz ZIPXTOHOAHMZNT-UHFFFAOYSA-N 0 0 321.381 0.450 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408159969 160050074 /nfs/dbraw/zinc/05/00/74/160050074.db2.gz HSXNKMXILUETMN-YNEHKIRRSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1 ZINC000408163176 160050383 /nfs/dbraw/zinc/05/03/83/160050383.db2.gz BUEDFFXZGDGZIL-IUCAKERBSA-N 0 0 303.318 0.985 10 0 DCAERN CN(C)C(=O)CC1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000408163388 160050476 /nfs/dbraw/zinc/05/04/76/160050476.db2.gz DGIOOBULIJFLJT-ZDUSSCGKSA-N 0 0 324.425 0.507 10 0 DCAERN COC1CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000408164813 160050969 /nfs/dbraw/zinc/05/09/69/160050969.db2.gz JXWBCZNIZKMESN-UHFFFAOYSA-N 0 0 309.366 0.344 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167084 160051160 /nfs/dbraw/zinc/05/11/60/160051160.db2.gz BVXUAJNFAZJWST-FRRDWIJNSA-N 0 0 317.455 0.244 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)c1cnn3ccncc13)CCO2 ZINC000408167382 160051949 /nfs/dbraw/zinc/05/19/49/160051949.db2.gz XUWULWYWNSKVGE-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cs1 ZINC000408170768 160052090 /nfs/dbraw/zinc/05/20/90/160052090.db2.gz XUIVYQBTXIHIRV-VHSXEESVSA-N 0 0 319.452 0.938 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)[C@H](C)O)C1 ZINC000408172877 160052741 /nfs/dbraw/zinc/05/27/41/160052741.db2.gz BLPRCUNCIIQILC-QWRGUYRKSA-N 0 0 306.428 0.324 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(=O)N(C)C2)c(C)c1F ZINC000408178188 160053530 /nfs/dbraw/zinc/05/35/30/160053530.db2.gz VZUCSEPVYYLWRU-UHFFFAOYSA-N 0 0 302.327 0.563 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)CC2)cc1F ZINC000408177282 160053722 /nfs/dbraw/zinc/05/37/22/160053722.db2.gz JRVBCCMCAIVNTO-JTQLQIEISA-N 0 0 316.354 0.460 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCCn2ccnn2)C1 ZINC000408182038 160054422 /nfs/dbraw/zinc/05/44/22/160054422.db2.gz HXHKUBZETWTHHK-RYUDHWBXSA-N 0 0 301.416 0.481 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCCn2ccnn2)C1 ZINC000408182040 160054680 /nfs/dbraw/zinc/05/46/80/160054680.db2.gz HXHKUBZETWTHHK-VXGBXAGGSA-N 0 0 301.416 0.481 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)on1 ZINC000408182118 160054696 /nfs/dbraw/zinc/05/46/96/160054696.db2.gz HSPMODOQSFQJQM-VIFPVBQESA-N 0 0 301.368 0.562 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000408184988 160054864 /nfs/dbraw/zinc/05/48/64/160054864.db2.gz FUVRYIFNJCFMIV-UHFFFAOYSA-N 0 0 306.428 0.684 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)co1 ZINC000408185939 160055172 /nfs/dbraw/zinc/05/51/72/160055172.db2.gz FQZMTRWNXLGGGA-JMJZKYOTSA-N 0 0 314.363 0.031 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000408184523 160055337 /nfs/dbraw/zinc/05/53/37/160055337.db2.gz YJYAGSLESUGHDL-JTQLQIEISA-N 0 0 310.379 0.118 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C(C)=O)CC2(C)C)CC(=O)N1 ZINC000408188369 160055954 /nfs/dbraw/zinc/05/59/54/160055954.db2.gz FPZSKVGPOSXPQO-QWHCGFSZSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000408194610 160056908 /nfs/dbraw/zinc/05/69/08/160056908.db2.gz YPVZEFFNUZKUDJ-NSHDSACASA-N 0 0 303.424 0.963 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)CC(=O)N1 ZINC000408200464 160058141 /nfs/dbraw/zinc/05/81/41/160058141.db2.gz CDIOZIPSOJCVSX-WCQYABFASA-N 0 0 321.421 0.761 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 ZINC000408200153 160058364 /nfs/dbraw/zinc/05/83/64/160058364.db2.gz ZYVMTBBEKJPWJU-NSHDSACASA-N 0 0 314.411 0.980 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)CC(=O)N1 ZINC000408200690 160058474 /nfs/dbraw/zinc/05/84/74/160058474.db2.gz DOBMLBCPICSMJE-MXWKQRLJSA-N 0 0 321.343 0.996 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000408203642 160059373 /nfs/dbraw/zinc/05/93/73/160059373.db2.gz DURKVGXKSWOILW-OUAUKWLOSA-N 0 0 319.427 0.070 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000408207926 160060107 /nfs/dbraw/zinc/06/01/07/160060107.db2.gz YKUNOOPMXAYOFI-YIYPIFLZSA-N 0 0 311.426 0.205 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408206234 160060387 /nfs/dbraw/zinc/06/03/87/160060387.db2.gz SXHDMSRUARGRRV-CHWSQXEVSA-N 0 0 324.425 0.507 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408210088 160060866 /nfs/dbraw/zinc/06/08/66/160060866.db2.gz YBBRRDWRPIGAHC-ZIAGYGMSSA-N 0 0 324.425 0.588 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[S@@](=O)[C@H](C)C1 ZINC000408210995 160060909 /nfs/dbraw/zinc/06/09/09/160060909.db2.gz LZXNCCCYUADAKW-QZXWKGOOSA-N 0 0 303.428 0.310 10 0 DCAERN C[C@@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC[S@@]1=O ZINC000408212799 160061515 /nfs/dbraw/zinc/06/15/15/160061515.db2.gz ZPDSAIYZOIILRG-FIKIJFGZSA-N 0 0 315.439 0.598 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219877 160063236 /nfs/dbraw/zinc/06/32/36/160063236.db2.gz RAKVWZKHEBHBKP-MJBXVCDLSA-N 0 0 316.467 0.857 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3[C@@H](C)C3(F)F)CC2)n1 ZINC000408230326 160064569 /nfs/dbraw/zinc/06/45/69/160064569.db2.gz AXEORHKAAMONFC-KCJUWKMLSA-N 0 0 300.309 0.923 10 0 DCAERN O=C(c1cnn2cccnc12)N1CC[C@H](N2CCOCC2)C1 ZINC000408233502 160065661 /nfs/dbraw/zinc/06/56/61/160065661.db2.gz VGDRYXCMDHYSNE-LBPRGKRZSA-N 0 0 301.350 0.276 10 0 DCAERN COCc1cc(N2CCC[C@]3(CNC(=O)C3)C2)n2ncnc2n1 ZINC000408240353 160066876 /nfs/dbraw/zinc/06/68/76/160066876.db2.gz LZLABPOROPGUSD-HNNXBMFYSA-N 0 0 316.365 0.377 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408239359 160066893 /nfs/dbraw/zinc/06/68/93/160066893.db2.gz YHJVRSYVQOABPA-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000408241130 160066901 /nfs/dbraw/zinc/06/69/01/160066901.db2.gz HWGHYYCVCONLIJ-MNOVXSKESA-N 0 0 300.384 0.010 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000408245591 160068309 /nfs/dbraw/zinc/06/83/09/160068309.db2.gz HAJZRYXPJPYNEY-XJKSGUPXSA-N 0 0 307.394 0.374 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245504 160068440 /nfs/dbraw/zinc/06/84/40/160068440.db2.gz GNETXYGDNXXZBY-GUYCJALGSA-N 0 0 321.421 0.762 10 0 DCAERN COC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408245303 160068472 /nfs/dbraw/zinc/06/84/72/160068472.db2.gz UMYDVCHLGKCOIN-GFCCVEGCSA-N 0 0 308.378 0.801 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245501 160068679 /nfs/dbraw/zinc/06/86/79/160068679.db2.gz GNETXYGDNXXZBY-CXAGYDPISA-N 0 0 321.421 0.762 10 0 DCAERN CC(C)N1C(=O)CN([C@H](C)C(=O)NC(=O)NC2CC2)CC1(C)C ZINC000408248239 160069358 /nfs/dbraw/zinc/06/93/58/160069358.db2.gz UGOOUBWBVXKJSA-LLVKDONJSA-N 0 0 324.425 0.694 10 0 DCAERN C[NH+](C)C[C@@H]1CCCN1C(=O)c1cnc2n(c1=O)CCS2 ZINC000408247893 160069447 /nfs/dbraw/zinc/06/94/47/160069447.db2.gz ZFAGNFHNPZJNLU-JTQLQIEISA-N 0 0 308.407 0.515 10 0 DCAERN CSC1(CNC(=O)N[C@H]2CCC(=O)N(C)C2)CCOCC1 ZINC000408252592 160070085 /nfs/dbraw/zinc/07/00/85/160070085.db2.gz SVNHAOBDTAHTPS-NSHDSACASA-N 0 0 315.439 0.819 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000408256889 160070596 /nfs/dbraw/zinc/07/05/96/160070596.db2.gz PEWAJELTSDKCTE-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 ZINC000408266382 160072481 /nfs/dbraw/zinc/07/24/81/160072481.db2.gz ZHWADPUMDWIJHH-ZWNOBZJWSA-N 0 0 302.396 0.856 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000408270516 160073000 /nfs/dbraw/zinc/07/30/00/160073000.db2.gz QZBYZIZDZBWFJI-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408273455 160073510 /nfs/dbraw/zinc/07/35/10/160073510.db2.gz CZFQUEPPWVCZHP-CHWSQXEVSA-N 0 0 311.426 0.600 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C1CCC(CO)CC1 ZINC000408277170 160074271 /nfs/dbraw/zinc/07/42/71/160074271.db2.gz NJJBVQMISNHAQG-WXRRBKDZSA-N 0 0 300.424 0.917 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408274884 160074536 /nfs/dbraw/zinc/07/45/36/160074536.db2.gz PZILCJBTDPOQGH-RYUDHWBXSA-N 0 0 304.412 0.151 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H](CO)O1 ZINC000408280338 160075319 /nfs/dbraw/zinc/07/53/19/160075319.db2.gz ORIDABAAHJPEJG-VHSXEESVSA-N 0 0 306.318 0.239 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000408291836 160077777 /nfs/dbraw/zinc/07/77/77/160077777.db2.gz PXAPEVCUJCCCRM-NSHDSACASA-N 0 0 322.331 0.497 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000408301328 160079875 /nfs/dbraw/zinc/07/98/75/160079875.db2.gz RLQRCZXAAMYOCE-JHJVBQTASA-N 0 0 324.425 0.600 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C[C@@H](C)O1 ZINC000408302141 160079894 /nfs/dbraw/zinc/07/98/94/160079894.db2.gz DVQHVTMFDQBMAU-HZSPNIEDSA-N 0 0 312.410 0.896 10 0 DCAERN C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)[S@](C)=O ZINC000408305112 160080921 /nfs/dbraw/zinc/08/09/21/160080921.db2.gz HEGHPOIFTMZOKR-DKSTVMKVSA-N 0 0 318.439 0.733 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000408306782 160081375 /nfs/dbraw/zinc/08/13/75/160081375.db2.gz RCCOBCOFJGJCGL-PIKGMYQHSA-N 0 0 318.464 0.571 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)[S@](C)=O ZINC000408307042 160081585 /nfs/dbraw/zinc/08/15/85/160081585.db2.gz RTFCQIJLBUEZHI-DKSTVMKVSA-N 0 0 318.439 0.733 10 0 DCAERN CC1(C)CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[NH2+]1 ZINC000408321051 160084729 /nfs/dbraw/zinc/08/47/29/160084729.db2.gz NXYIZZSOOOSXQK-UHFFFAOYSA-N 0 0 300.362 0.607 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C2CCOCC2)C1=O ZINC000408337345 160087564 /nfs/dbraw/zinc/08/75/64/160087564.db2.gz CBSWIEDCNWSMOE-GFCCVEGCSA-N 0 0 306.366 0.458 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCCN(C(C)=O)CC1 ZINC000408338213 160087719 /nfs/dbraw/zinc/08/77/19/160087719.db2.gz GONCAGPGSMZAMR-UHFFFAOYSA-N 0 0 300.384 0.146 10 0 DCAERN 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UYULVPBDQCIIGZ-NWDGAFQWSA-N 0 0 308.300 0.819 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000408372912 160094606 /nfs/dbraw/zinc/09/46/06/160094606.db2.gz CAPZRKVQUYXGAF-DTWKUNHWSA-N 0 0 318.420 0.547 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](O)C1(C)C ZINC000408377647 160095061 /nfs/dbraw/zinc/09/50/61/160095061.db2.gz RJSHMWLRQDJUDJ-VIFPVBQESA-N 0 0 302.352 0.221 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[C@@H]1O ZINC000408375504 160095074 /nfs/dbraw/zinc/09/50/74/160095074.db2.gz KPWBOGLEWPAIJM-RISCZKNCSA-N 0 0 301.346 0.626 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000408380591 160096138 /nfs/dbraw/zinc/09/61/38/160096138.db2.gz AUPFQYFVCPFZFU-VXGBXAGGSA-N 0 0 323.397 0.119 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@H]3CCCC[C@H]32)NC(=O)NC1=O ZINC000408402043 160101071 /nfs/dbraw/zinc/10/10/71/160101071.db2.gz JPQYLBIDGNUCDR-BFQNTYOBSA-N 0 0 323.393 0.925 10 0 DCAERN Cn1cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)c(=O)[nH]c1=O ZINC000408417502 160103710 /nfs/dbraw/zinc/10/37/10/160103710.db2.gz RUDMVDQSVONNTI-HNNXBMFYSA-N 0 0 309.366 0.547 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000408439945 160108822 /nfs/dbraw/zinc/10/88/22/160108822.db2.gz WTFITSSSZJOQNV-MGPQQGTHSA-N 0 0 319.471 0.208 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCC[C@H]2O)N(C(C)=O)C1 ZINC000408443493 160109197 /nfs/dbraw/zinc/10/91/97/160109197.db2.gz OCDXVSMMLNSGSD-NHIYQJMISA-N 0 0 312.410 0.680 10 0 DCAERN Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2ccoc2)n1 ZINC000408447515 160110064 /nfs/dbraw/zinc/11/00/64/160110064.db2.gz FTIDSASDEIQXHF-ZIAGYGMSSA-N 0 0 316.361 0.835 10 0 DCAERN CC(C)c1nnc(CN2CCN(S(C)(=O)=O)CC2)s1 ZINC000408450531 160110926 /nfs/dbraw/zinc/11/09/26/160110926.db2.gz FHKWYSZZTLAPSF-UHFFFAOYSA-N 0 0 304.441 0.739 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000408450767 160111084 /nfs/dbraw/zinc/11/10/84/160111084.db2.gz IQDSGFOALICWPY-NWDGAFQWSA-N 0 0 302.400 0.345 10 0 DCAERN Cc1cc(C)nc(N2CCN(c3ccc(=O)n(C)n3)CC2)n1 ZINC000408467253 160114091 /nfs/dbraw/zinc/11/40/91/160114091.db2.gz KPCNJURGVXLPIH-UHFFFAOYSA-N 0 0 300.366 0.514 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408466561 160114208 /nfs/dbraw/zinc/11/42/08/160114208.db2.gz MLPRTEZXWXRRNU-NEPJUHHUSA-N 0 0 323.393 0.470 10 0 DCAERN COc1ccc(N2CCN(C(=O)[C@H]3COCCO3)CC2)nc1 ZINC000408467485 160115076 /nfs/dbraw/zinc/11/50/76/160115076.db2.gz OGWHPQVXXHIZRC-CYBMUJFWSA-N 0 0 307.350 0.154 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CCO1 ZINC000408472758 160115825 /nfs/dbraw/zinc/11/58/25/160115825.db2.gz WUOKFINSXCRJHK-LWWSYDQCSA-N 0 0 307.346 0.823 10 0 DCAERN CCCCN(CC(N)=O)C(=O)Cn1cnc2ccccc2c1=O ZINC000058179615 286900021 /nfs/dbraw/zinc/90/00/21/286900021.db2.gz LPGBZWVOBRIWND-UHFFFAOYSA-N 0 0 316.361 0.511 10 0 DCAERN CC[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccncc1 ZINC000073944772 286914761 /nfs/dbraw/zinc/91/47/61/286914761.db2.gz VFJVRGDMYXJVHB-LLVKDONJSA-N 0 0 304.350 0.979 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(Br)cc1 ZINC000074728765 286917153 /nfs/dbraw/zinc/91/71/53/286917153.db2.gz DOUNIIZDTADFQG-QMMMGPOBSA-N 0 0 312.123 0.986 10 0 DCAERN Cn1nnnc1SCC(=O)NCCN1CCc2ccccc21 ZINC000080069221 286925819 /nfs/dbraw/zinc/92/58/19/286925819.db2.gz VCHHRWKMDKIRGY-UHFFFAOYSA-N 0 0 318.406 0.481 10 0 DCAERN C[C@H](C(=O)NCC1(C)COC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000112619152 286943272 /nfs/dbraw/zinc/94/32/72/286943272.db2.gz MEEWSIYNUWKRLR-WOPDTQHZSA-N 0 0 308.378 0.703 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C1 ZINC000121621279 286955862 /nfs/dbraw/zinc/95/58/62/286955862.db2.gz KRLKNQPVCIYWPZ-LBPRGKRZSA-N 0 0 317.389 0.790 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](COC)C1CC1 ZINC000122748990 286958737 /nfs/dbraw/zinc/95/87/37/286958737.db2.gz CZWSZOZMTFOHHB-RYUDHWBXSA-N 0 0 323.397 0.984 10 0 DCAERN O=C(Nc1cccn(Cc2ccccc2)c1=O)[C@@H]1CNC(=O)C1 ZINC000122842975 286959122 /nfs/dbraw/zinc/95/91/22/286959122.db2.gz XLIZAVPZDXAZBG-ZDUSSCGKSA-N 0 0 311.341 0.971 10 0 DCAERN COC(=O)CCC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126617139 286972720 /nfs/dbraw/zinc/97/27/20/286972720.db2.gz MVBFQDPPIXLNES-NSHDSACASA-N 0 0 317.345 0.854 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000131405366 287000244 /nfs/dbraw/zinc/00/02/44/287000244.db2.gz OQOPNHOKSAIGCP-WCQYABFASA-N 0 0 318.373 0.826 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000132695600 287006877 /nfs/dbraw/zinc/00/68/77/287006877.db2.gz SJFONVCPAVHLBO-NSHDSACASA-N 0 0 314.386 0.822 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCc1ccnc(OC)c1 ZINC000133858504 287013346 /nfs/dbraw/zinc/01/33/46/287013346.db2.gz FXDZEPFZAQJQGG-UHFFFAOYSA-N 0 0 317.349 0.952 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1nc(-c2ccco2)cs1 ZINC000136056289 287025476 /nfs/dbraw/zinc/02/54/76/287025476.db2.gz IPBRRXAYKMHOTP-LURJTMIESA-N 0 0 306.303 0.940 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000151147443 287032113 /nfs/dbraw/zinc/03/21/13/287032113.db2.gz ANMOCRZBRPUHBZ-ZJUUUORDSA-N 0 0 300.380 0.341 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000151643741 287035049 /nfs/dbraw/zinc/03/50/49/287035049.db2.gz RJBYZMQETPDTHO-GFCCVEGCSA-N 0 0 321.381 0.359 10 0 DCAERN CN(CCC(=O)OC(C)(C)C)C(=O)c1cc(C(N)=O)cn1C ZINC000152427108 287041270 /nfs/dbraw/zinc/04/12/70/287041270.db2.gz QLPNCYOZAQXDFC-UHFFFAOYSA-N 0 0 309.366 0.928 10 0 DCAERN C[C@@]1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCCO1 ZINC000153017118 287045976 /nfs/dbraw/zinc/04/59/76/287045976.db2.gz CUNASBJYZFHHQC-CJNGLKHVSA-N 0 0 305.378 0.951 10 0 DCAERN C[NH+](C)C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000152999756 287046015 /nfs/dbraw/zinc/04/60/15/287046015.db2.gz WBMQEFGFDLHRFK-AWEZNQCLSA-N 0 0 317.393 0.735 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(F)cc2nccnc21 ZINC000153404232 287049949 /nfs/dbraw/zinc/04/99/49/287049949.db2.gz CTNPXTDVVIBSMX-VIFPVBQESA-N 0 0 302.265 0.304 10 0 DCAERN CNC(=O)C1CN(C(=O)C[C@H](NC(C)=O)c2ccccc2)C1 ZINC000186122087 287057636 /nfs/dbraw/zinc/05/76/36/287057636.db2.gz AXHFKEVMJAOYQQ-AWEZNQCLSA-N 0 0 303.362 0.458 10 0 DCAERN CCOCCOCC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194747925 287062047 /nfs/dbraw/zinc/06/20/47/287062047.db2.gz SXBIXOFZCRAUIB-OKILXGFUSA-N 0 0 302.415 0.607 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000245464935 287069643 /nfs/dbraw/zinc/06/96/43/287069643.db2.gz PYRYHZPWYUAJOZ-CYBMUJFWSA-N 0 0 316.427 0.397 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000245670324 287071942 /nfs/dbraw/zinc/07/19/42/287071942.db2.gz RZMAICYFMKGLEZ-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246060669 287076007 /nfs/dbraw/zinc/07/60/07/287076007.db2.gz DGHOHYXQFKTGLV-UPJWGTAASA-N 0 0 306.428 0.841 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCOC(C)C)CCN1C[C@H](C)O ZINC000246088874 287076548 /nfs/dbraw/zinc/07/65/48/287076548.db2.gz JKRGMGTUUMKEQG-UONOGXRCSA-N 0 0 322.471 0.518 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000246204951 287079092 /nfs/dbraw/zinc/07/90/92/287079092.db2.gz QQBNSKASRNYLCL-MJBXVCDLSA-N 0 0 319.471 0.350 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246268465 287080151 /nfs/dbraw/zinc/08/01/51/287080151.db2.gz VQIOVOWWVILAQT-JHJVBQTASA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)[C@@H](C)CO1 ZINC000246280198 287080412 /nfs/dbraw/zinc/08/04/12/287080412.db2.gz VNUBVQJBMZTCCU-WDEREUQCSA-N 0 0 300.384 0.262 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(N)=O)C1 ZINC000246528490 287085167 /nfs/dbraw/zinc/08/51/67/287085167.db2.gz WJOLGWUZVOICGL-WOPDTQHZSA-N 0 0 303.428 0.597 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246906261 287089125 /nfs/dbraw/zinc/08/91/25/287089125.db2.gz AQJKQRBJMSICGF-IJLUTSLNSA-N 0 0 303.428 0.898 10 0 DCAERN CCN(C)[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000246593994 287085950 /nfs/dbraw/zinc/08/59/50/287085950.db2.gz TUFVUDVEBMYYMM-GXTWGEPZSA-N 0 0 303.362 0.601 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246676593 287086704 /nfs/dbraw/zinc/08/67/04/287086704.db2.gz IHBKAPDTVUCGKB-KBPBESRZSA-N 0 0 313.442 0.452 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247113412 287091364 /nfs/dbraw/zinc/09/13/64/287091364.db2.gz PDUPYUYKRAOAIQ-VXGBXAGGSA-N 0 0 302.440 0.943 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCOC[C@H]3C)CCO2)[nH]1 ZINC000248831596 287101990 /nfs/dbraw/zinc/10/19/90/287101990.db2.gz MGAHKQOOQWBEJR-UTUOFQBUSA-N 0 0 308.382 0.940 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249183145 287107402 /nfs/dbraw/zinc/10/74/02/287107402.db2.gz NNRCGDLTNYCNDW-MCIONIFRSA-N 0 0 319.471 0.350 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@@H](C)O[C@H](COC)C2)cs1 ZINC000251632398 287119483 /nfs/dbraw/zinc/11/94/83/287119483.db2.gz GXLCSJQIOHMYKP-PWSUYJOCSA-N 0 0 313.423 0.667 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(Cl)cn2C)CC1=O ZINC000191268576 292527796 /nfs/dbraw/zinc/52/77/96/292527796.db2.gz BBGHTQHWLTZGHC-UHFFFAOYSA-N 0 0 313.785 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H](C2CC2)O1 ZINC000329270818 296876310 /nfs/dbraw/zinc/87/63/10/296876310.db2.gz IXDSPVHNEZVOAX-ZZVYKPCYSA-N 0 0 310.394 0.648 10 0 DCAERN CC(=O)c1cccc(OCCCC(=O)NC[C@@](C)(O)CO)c1 ZINC000355347181 287180302 /nfs/dbraw/zinc/18/03/02/287180302.db2.gz UWRGKDOZBBHUTB-MRXNPFEDSA-N 0 0 309.362 0.908 10 0 DCAERN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000356257630 287198280 /nfs/dbraw/zinc/19/82/80/287198280.db2.gz UCZKHXLSHBNDGY-WFGGJUAMSA-N 0 0 312.410 0.630 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000368866754 287222949 /nfs/dbraw/zinc/22/29/49/287222949.db2.gz OTKMGJTVKFNUOD-TZMCWYRMSA-N 0 0 320.418 0.680 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248827690 685177315 /nfs/dbraw/zinc/17/73/15/685177315.db2.gz HLRGBOKTVOLJCI-WDEREUQCSA-N 0 0 302.396 0.096 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)CC1=O ZINC000608094491 412287900 /nfs/dbraw/zinc/28/79/00/412287900.db2.gz SGGBCRGEYOCRGS-KHQFGBGNSA-N 0 0 302.338 0.490 10 0 DCAERN CN(c1nnnn1C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000382437019 685240746 /nfs/dbraw/zinc/24/07/46/685240746.db2.gz ZFYJKSGGDNBEKP-UHFFFAOYSA-N 0 0 323.165 0.737 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)CC(=O)N1 ZINC000408343786 287293564 /nfs/dbraw/zinc/29/35/64/287293564.db2.gz SDVRMPOUMHHBQU-FIQHERPVSA-N 0 0 300.424 0.659 10 0 DCAERN CCN1c2ncc(-c3ccccc3)nc2C(N)=NS1(=O)=O ZINC000000017893 415125679 /nfs/dbraw/zinc/12/56/79/415125679.db2.gz FEEDQISISUONEB-UHFFFAOYSA-N 0 0 303.347 0.934 10 0 DCAERN CC(C)[C@H](C)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000025976956 415165091 /nfs/dbraw/zinc/16/50/91/415165091.db2.gz APGVANMZCWLTNG-ZETCQYMHSA-N 0 0 318.171 0.460 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc(C)cnc1N ZINC000342579463 415215160 /nfs/dbraw/zinc/21/51/60/415215160.db2.gz ZCFVXYSGCBXTLH-NSHDSACASA-N 0 0 313.379 0.341 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000268482582 415222197 /nfs/dbraw/zinc/22/21/97/415222197.db2.gz JUFVEFLKWWGEJX-NEPJUHHUSA-N 0 0 320.397 0.292 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000044647086 415225724 /nfs/dbraw/zinc/22/57/24/415225724.db2.gz KFZZKLYNISTIHB-AWEZNQCLSA-N 0 0 315.373 0.899 10 0 DCAERN O=C(NCCC(=O)N1CCOCC1)NCCc1ccsc1 ZINC000048479551 415296007 /nfs/dbraw/zinc/29/60/07/415296007.db2.gz QMVHBLRJXGFRBD-UHFFFAOYSA-N 0 0 311.407 0.839 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@@H]1O ZINC000273051946 415306019 /nfs/dbraw/zinc/30/60/19/415306019.db2.gz WXBALZSIOPJEMP-NEPJUHHUSA-N 0 0 318.377 0.892 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000066919069 415371345 /nfs/dbraw/zinc/37/13/45/415371345.db2.gz QIHNBSBRNGPACY-SRVKXCTJSA-N 0 0 320.411 0.225 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000275584811 415374913 /nfs/dbraw/zinc/37/49/13/415374913.db2.gz HBWOEJLOCJPQNP-ZDUSSCGKSA-N 0 0 324.352 0.612 10 0 DCAERN O=C(NCCNC(=O)C1CC1)Nc1cnn(-c2ncccn2)c1 ZINC000081082130 415483574 /nfs/dbraw/zinc/48/35/74/415483574.db2.gz KVPTUBMLEPHVJD-UHFFFAOYSA-N 0 0 315.337 0.310 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000278785398 415487721 /nfs/dbraw/zinc/48/77/21/415487721.db2.gz PQYCKQPSANDEHH-INIZCTEOSA-N 0 0 316.405 0.399 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000083065937 415488985 /nfs/dbraw/zinc/48/89/85/415488985.db2.gz XQTOSOWWOOVNCU-MRVPVSSYSA-N 0 0 304.343 0.561 10 0 DCAERN COc1ccc(CNS(=O)(=O)N(C)C)cc1NC(C)=O ZINC000074996793 415431743 /nfs/dbraw/zinc/43/17/43/415431743.db2.gz QVZYWFULCAQYRH-UHFFFAOYSA-N 0 0 301.368 0.550 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CCS1(=O)=O ZINC000278898891 415510576 /nfs/dbraw/zinc/51/05/76/415510576.db2.gz YFWZVUTZONYQFD-SSDOTTSWSA-N 0 0 312.326 0.356 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235683 415514158 /nfs/dbraw/zinc/51/41/58/415514158.db2.gz AHKCYSQBNUKEGC-JTQLQIEISA-N 0 0 309.341 0.564 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccnc2OCC(F)F)C1 ZINC000089847916 415523731 /nfs/dbraw/zinc/52/37/31/415523731.db2.gz GJIOMARTPYQZGB-UHFFFAOYSA-N 0 0 313.304 0.934 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C)C[C@@H](C)S1(=O)=O ZINC000333005190 415526785 /nfs/dbraw/zinc/52/67/85/415526785.db2.gz YPPBTIYYMSTAPI-WISYIIOYSA-N 0 0 304.412 0.771 10 0 DCAERN COc1cc(CNC(=O)c2c3n(c(=O)n2C)CCCC3)ccn1 ZINC000333078256 415548798 /nfs/dbraw/zinc/54/87/98/415548798.db2.gz FAQPKFFPXUMDNX-UHFFFAOYSA-N 0 0 316.361 0.857 10 0 DCAERN CCN1c2ccc(C)cc2[C@]2(NC(=O)[C@H]3COCCN32)C1=O ZINC000093884564 415550408 /nfs/dbraw/zinc/55/04/08/415550408.db2.gz VRHFYTZJYPJEPE-CZUORRHYSA-N 0 0 301.346 0.345 10 0 DCAERN O=C(NCC1(N2CCOCC2)CC1)N1CCOCC2(CC2)C1 ZINC000333093476 415554761 /nfs/dbraw/zinc/55/47/61/415554761.db2.gz BRTVKZCVRREQFB-UHFFFAOYSA-N 0 0 309.410 0.673 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333105702 415557572 /nfs/dbraw/zinc/55/75/72/415557572.db2.gz DBIBDCXDDJVZSF-RHYQMDGZSA-N 0 0 307.437 0.624 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCC(=O)N[C@H]2C)cn1 ZINC000333131542 415567194 /nfs/dbraw/zinc/56/71/94/415567194.db2.gz WVAPDQMIXYVCRC-GZCFXPHUSA-N 0 0 320.393 0.764 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000333155447 415572658 /nfs/dbraw/zinc/57/26/58/415572658.db2.gz MJMLSQZYQNZMIP-IONNQARKSA-N 0 0 303.302 0.350 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ncc(OC)cn1)CC2 ZINC000333159352 415572764 /nfs/dbraw/zinc/57/27/64/415572764.db2.gz GYIWBBCTGBBEOW-VIFPVBQESA-N 0 0 317.353 0.776 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000333161236 415573036 /nfs/dbraw/zinc/57/30/36/415573036.db2.gz LZHLMOKJFCGMRU-NSHDSACASA-N 0 0 314.411 0.428 10 0 DCAERN CC(C)(C)OC(=O)N1CCC(CN2CCNC(=O)C2=O)CC1 ZINC000096032933 415573395 /nfs/dbraw/zinc/57/33/95/415573395.db2.gz KOSJGDCILUUSDU-UHFFFAOYSA-N 0 0 311.382 0.592 10 0 DCAERN Cc1cc(N2CCC(NC(=O)N(C)[C@@H]3CCNC3=O)CC2)n[nH]1 ZINC000333342956 415616688 /nfs/dbraw/zinc/61/66/88/415616688.db2.gz UAAORCLXIOBZAN-GFCCVEGCSA-N 0 0 320.397 0.217 10 0 DCAERN COC[C@@H](C)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000103380495 415617773 /nfs/dbraw/zinc/61/77/73/415617773.db2.gz GQERZKJJYSWPQM-GFCCVEGCSA-N 0 0 314.407 0.505 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000104668805 415624869 /nfs/dbraw/zinc/62/48/69/415624869.db2.gz GXIYXTOMILLBAI-KKUMJFAQSA-N 0 0 323.437 0.757 10 0 DCAERN C[C@H]1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CO1 ZINC000333463220 415656653 /nfs/dbraw/zinc/65/66/53/415656653.db2.gz QAGMORJRQYOQMU-NWDGAFQWSA-N 0 0 302.440 0.371 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H](C)O1 ZINC000333467184 415659687 /nfs/dbraw/zinc/65/96/87/415659687.db2.gz HPWYFRZUWKDBOW-NJMOYASZSA-N 0 0 309.370 0.331 10 0 DCAERN CCn1nccc1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000333512493 415668715 /nfs/dbraw/zinc/66/87/15/415668715.db2.gz XYFQYRMYAABZAZ-UHFFFAOYSA-N 0 0 324.410 0.778 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000333539611 415678618 /nfs/dbraw/zinc/67/86/18/415678618.db2.gz JBXRTRXPSQPAJE-FZMZJTMJSA-N 0 0 315.393 0.133 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(CCNS(=O)(=O)CC)C1 ZINC000109327155 415681772 /nfs/dbraw/zinc/68/17/72/415681772.db2.gz OHNVLKSCNJZBHG-LBPRGKRZSA-N 0 0 315.443 0.417 10 0 DCAERN COC(=O)CCCc1nc(CN2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220863 415688860 /nfs/dbraw/zinc/68/88/60/415688860.db2.gz LGUQWERAPFJWFZ-GHMZBOCLSA-N 0 0 324.381 0.651 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCOCC(F)(F)F)C1 ZINC000116835819 415732000 /nfs/dbraw/zinc/73/20/00/415732000.db2.gz YXSRGGXMWSTYOP-QMMMGPOBSA-N 0 0 318.317 0.106 10 0 DCAERN C[C@H](NC(=O)NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000112111346 415705114 /nfs/dbraw/zinc/70/51/14/415705114.db2.gz SSIBGHQTXDIZQM-JSGCOSHPSA-N 0 0 320.393 0.643 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000112655346 415711636 /nfs/dbraw/zinc/71/16/36/415711636.db2.gz LPQRUQJYHIVBDY-STQMWFEESA-N 0 0 317.393 0.358 10 0 DCAERN COc1cccc(OCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112659344 415712197 /nfs/dbraw/zinc/71/21/97/415712197.db2.gz XEYNIWMTTXCPAI-LLVKDONJSA-N 0 0 302.334 0.797 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000112656809 415712455 /nfs/dbraw/zinc/71/24/55/415712455.db2.gz AJQUJKJGCRJNMJ-JTQLQIEISA-N 0 0 307.379 0.249 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1CCCn3ncnc31)c2O ZINC000119327825 415742720 /nfs/dbraw/zinc/74/27/20/415742720.db2.gz YLZKBSBPQVLXGS-SNVBAGLBSA-N 0 0 313.321 0.530 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000120312975 415763744 /nfs/dbraw/zinc/76/37/44/415763744.db2.gz YUTWNBICBGCPGX-ZDUSSCGKSA-N 0 0 319.365 0.434 10 0 DCAERN O=C(NCc1cnn(-c2ccccc2)c1)NCC1(CO)COC1 ZINC000120320766 415763809 /nfs/dbraw/zinc/76/38/09/415763809.db2.gz JJWMMSJFHVECJB-UHFFFAOYSA-N 0 0 316.361 0.680 10 0 DCAERN CC[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000120172337 415756153 /nfs/dbraw/zinc/75/61/53/415756153.db2.gz YEINDUMHMHUXAX-LLVKDONJSA-N 0 0 314.349 0.859 10 0 DCAERN C[C@@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCS1(=O)=O ZINC000122323371 415833497 /nfs/dbraw/zinc/83/34/97/415833497.db2.gz JWJYZGGCWXMDPO-LLVKDONJSA-N 0 0 315.439 0.442 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H](O)Cc1ccccc1 ZINC000122447711 415833978 /nfs/dbraw/zinc/83/39/78/415833978.db2.gz DPUPWORAMVWBAU-NWANDNLSSA-N 0 0 319.405 0.899 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2C[C@H](C)OC(C)(C)C2)n1C ZINC000121519325 415806756 /nfs/dbraw/zinc/80/67/56/415806756.db2.gz IJBODUXTNLWCEY-NSHDSACASA-N 0 0 309.414 0.581 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000121625293 415811797 /nfs/dbraw/zinc/81/17/97/415811797.db2.gz PGWLHPVXCIVBOB-NSHDSACASA-N 0 0 318.377 0.791 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000121914114 415820575 /nfs/dbraw/zinc/82/05/75/415820575.db2.gz RNTPFYZJLGIYEM-UHFFFAOYSA-N 0 0 307.398 0.831 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000336836944 415829180 /nfs/dbraw/zinc/82/91/80/415829180.db2.gz XXWLFUMKSRWKHY-VIFPVBQESA-N 0 0 322.408 0.177 10 0 DCAERN CN(C)c1ncc(NC(=O)c2ccc(CS(C)(=O)=O)o2)cn1 ZINC000126057529 415871683 /nfs/dbraw/zinc/87/16/83/415871683.db2.gz ZZGDHKSYFRCABD-UHFFFAOYSA-N 0 0 324.362 0.933 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCC(C)(C)O ZINC000126639612 415877026 /nfs/dbraw/zinc/87/70/26/415877026.db2.gz NKWQLNMYHFYTNY-NSHDSACASA-N 0 0 318.377 0.855 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000126688265 415879218 /nfs/dbraw/zinc/87/92/18/415879218.db2.gz JGEVKVXEVHCPPA-PWSUYJOCSA-N 0 0 304.412 0.484 10 0 DCAERN O=S(=O)(NCCC[C@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000127906739 415891853 /nfs/dbraw/zinc/89/18/53/415891853.db2.gz ZEBCXEUFCCONAD-OLZOCXBDSA-N 0 0 306.428 0.484 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1Cc1nnn(CC(F)(F)F)n1 ZINC000344355130 415898192 /nfs/dbraw/zinc/89/81/92/415898192.db2.gz AGBOTZLOPWJGHB-DTWKUNHWSA-N 0 0 309.292 0.471 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000356421290 415919867 /nfs/dbraw/zinc/91/98/67/415919867.db2.gz MHENKIGDVHGZGC-JTQLQIEISA-N 0 0 313.379 0.403 10 0 DCAERN COC[C@@H](C)S(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000124883771 415852707 /nfs/dbraw/zinc/85/27/07/415852707.db2.gz WZXRFTTYRWXMDN-SSDOTTSWSA-N 0 0 315.317 0.893 10 0 DCAERN C[C@H](C(=O)NCCNC(=O)c1ccccc1)N1CCSCC1 ZINC000124977851 415856579 /nfs/dbraw/zinc/85/65/79/415856579.db2.gz DVJRSCSMHCINGH-CYBMUJFWSA-N 0 0 321.446 0.970 10 0 DCAERN C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000125376660 415865553 /nfs/dbraw/zinc/86/55/53/415865553.db2.gz BJTOTOVDBBRJHT-JTQLQIEISA-N 0 0 300.322 0.612 10 0 DCAERN O=C(Cc1cccc(F)c1F)NC[C@H](O)CN1CCOCC1 ZINC000133111447 415940128 /nfs/dbraw/zinc/94/01/28/415940128.db2.gz OXOJUCVJYMTYLV-LBPRGKRZSA-N 0 0 314.332 0.317 10 0 DCAERN O=C(Nc1cccc2c1CCCC2)C(=O)N1CCNC(=O)CC1 ZINC000133765161 415951765 /nfs/dbraw/zinc/95/17/65/415951765.db2.gz RRWBJIVTJOQFHN-UHFFFAOYSA-N 0 0 315.373 0.852 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000134272732 415955469 /nfs/dbraw/zinc/95/54/69/415955469.db2.gz KSYLRLDNKORFSD-HQJQHLMTSA-N 0 0 302.327 0.380 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCCC[C@H]1CO ZINC000151114367 415964812 /nfs/dbraw/zinc/96/48/12/415964812.db2.gz DZIUIRMOJZTJCF-FQUUOJAGSA-N 0 0 322.405 0.829 10 0 DCAERN COCCn1nc(C)c(NC(=O)C(=O)N[C@H](C)C2CC2)c1C ZINC000152668842 415967902 /nfs/dbraw/zinc/96/79/02/415967902.db2.gz AEVPSCBQUFEVFX-SECBINFHSA-N 0 0 308.382 1.000 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000152619582 415967949 /nfs/dbraw/zinc/96/79/49/415967949.db2.gz LOVBIYGUDAYERK-STQMWFEESA-N 0 0 305.382 0.644 10 0 DCAERN CCc1cnccc1[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1C(C)=O ZINC000356667078 415970727 /nfs/dbraw/zinc/97/07/27/415970727.db2.gz FMGNYOLOURLBBQ-XEGUGMAKSA-N 0 0 305.378 0.803 10 0 DCAERN CC(C)C(=O)NCCCNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000158726714 416001466 /nfs/dbraw/zinc/00/14/66/416001466.db2.gz LTECAJYZKDUAPG-GFCCVEGCSA-N 0 0 305.444 0.715 10 0 DCAERN Cn1cccc1CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000153291303 415978981 /nfs/dbraw/zinc/97/89/81/415978981.db2.gz FRAHSKRCSWSNRH-UHFFFAOYSA-N 0 0 306.410 0.002 10 0 DCAERN CC(C)Oc1cccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000153256372 415979123 /nfs/dbraw/zinc/97/91/23/415979123.db2.gz PEJGPKHTMUJZBG-CYBMUJFWSA-N 0 0 304.346 0.938 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000153283768 415979649 /nfs/dbraw/zinc/97/96/49/415979649.db2.gz FGEHIQDJKVMWOC-UHFFFAOYSA-N 0 0 318.381 0.943 10 0 DCAERN CC[C@@H]1CN(Cc2nc(N)nc(N)n2)CCN1CC(F)F ZINC000153612093 415983516 /nfs/dbraw/zinc/98/35/16/415983516.db2.gz ZAKGWAKDGHEMSX-MRVPVSSYSA-N 0 0 301.345 0.197 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)C1CC2(C1)NC(=O)NC2=O ZINC000154682219 415991212 /nfs/dbraw/zinc/99/12/12/415991212.db2.gz CUUVDCDQIRDPLE-UHFFFAOYSA-N 0 0 320.374 0.949 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)[C@@H](C)CC ZINC000155167900 415994324 /nfs/dbraw/zinc/99/43/24/415994324.db2.gz JXHWPWDERPKWSL-XQQFMLRXSA-N 0 0 320.455 0.714 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1COc2ccccc21 ZINC000155159208 415994747 /nfs/dbraw/zinc/99/47/47/415994747.db2.gz SDAYIOOCIKZQPA-LLVKDONJSA-N 0 0 323.312 0.692 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3[C@H](C)CN(C)C[C@H]3C)nc2n1 ZINC000155484994 415997021 /nfs/dbraw/zinc/99/70/21/415997021.db2.gz KKALRCOTATZGLI-VXGBXAGGSA-N 0 0 302.382 0.906 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@@H](C(N)=O)O1 ZINC000157544524 415999000 /nfs/dbraw/zinc/99/90/00/415999000.db2.gz WCFMRJFZCIJCLZ-PELKAZGASA-N 0 0 305.290 0.649 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132822560 415935152 /nfs/dbraw/zinc/93/51/52/415935152.db2.gz ZEEIWZFMXRXITB-VXGBXAGGSA-N 0 0 322.413 0.587 10 0 DCAERN Cc1nc(Cl)ccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132755290 415936729 /nfs/dbraw/zinc/93/67/29/415936729.db2.gz HJGYHAOPSOSKMH-LLVKDONJSA-N 0 0 313.785 0.466 10 0 DCAERN CN(CCc1nccs1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132991328 415937894 /nfs/dbraw/zinc/93/78/94/415937894.db2.gz YLCVIZDPLKWAAD-SNVBAGLBSA-N 0 0 306.395 0.934 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)NCCNC(=O)c2ccco2)C1 ZINC000172535051 416046055 /nfs/dbraw/zinc/04/60/55/416046055.db2.gz RAWFVQSADFNJNS-QWRGUYRKSA-N 0 0 322.365 0.353 10 0 DCAERN CNS(=O)(=O)c1cccc(-c2nc(CCNC(C)=O)no2)c1 ZINC000357220169 416047191 /nfs/dbraw/zinc/04/71/91/416047191.db2.gz LODXLBGNWUPMRP-UHFFFAOYSA-N 0 0 324.362 0.323 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000172805147 416047322 /nfs/dbraw/zinc/04/73/22/416047322.db2.gz IGYGHZFPDNAELT-ZDUSSCGKSA-N 0 0 303.362 0.729 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767158 416048354 /nfs/dbraw/zinc/04/83/54/416048354.db2.gz VWFDXFBSYQEQFM-CQSZACIVSA-N 0 0 303.362 0.558 10 0 DCAERN COC[C@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCO1 ZINC000172883679 416049408 /nfs/dbraw/zinc/04/94/08/416049408.db2.gz YAXQMSSUHNARQL-OAHLLOKOSA-N 0 0 308.378 0.659 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)[C@H](C)CO1 ZINC000173101134 416053065 /nfs/dbraw/zinc/05/30/65/416053065.db2.gz PYIWBMRUNPQPEL-VXGBXAGGSA-N 0 0 316.427 0.296 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CC3(O)CCCC3)CCO2)[nH]1 ZINC000173407030 416057557 /nfs/dbraw/zinc/05/75/57/416057557.db2.gz XQRKJAWAOGMPLT-LLVKDONJSA-N 0 0 308.382 0.962 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173468621 416058292 /nfs/dbraw/zinc/05/82/92/416058292.db2.gz BKFSBLDFAJBOET-AAEUAGOBSA-N 0 0 322.413 0.198 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)CN(C)C(N)=O)C(=O)N1c1ccccc1 ZINC000173424582 416058994 /nfs/dbraw/zinc/05/89/94/416058994.db2.gz QHWHEDGPJZVZGU-PWSUYJOCSA-N 0 0 304.350 0.307 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000357308680 416059730 /nfs/dbraw/zinc/05/97/30/416059730.db2.gz SXOSGGXAXLZOGY-AWEZNQCLSA-N 0 0 313.442 0.718 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000173515339 416059852 /nfs/dbraw/zinc/05/98/52/416059852.db2.gz VYGFAJMTSOIZIO-LBPRGKRZSA-N 0 0 304.354 0.527 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)[nH]1 ZINC000173735051 416063830 /nfs/dbraw/zinc/06/38/30/416063830.db2.gz RRHVWJZYNDZIKK-SNVBAGLBSA-N 0 0 303.388 0.071 10 0 DCAERN C[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1N1CCOCC1 ZINC000173862778 416067206 /nfs/dbraw/zinc/06/72/06/416067206.db2.gz AHBRBPJDSKYVPO-UKRRQHHQSA-N 0 0 323.437 0.472 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000357365937 416067297 /nfs/dbraw/zinc/06/72/97/416067297.db2.gz BUSWCNQCUGHAFC-BBWFWOEESA-N 0 0 316.401 0.984 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000174273112 416074808 /nfs/dbraw/zinc/07/48/08/416074808.db2.gz GLYJQEFMBKUUGJ-GFCCVEGCSA-N 0 0 318.385 0.327 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000174370702 416077192 /nfs/dbraw/zinc/07/71/92/416077192.db2.gz UOPYHCUJSVZMSI-DTWKUNHWSA-N 0 0 318.370 0.949 10 0 DCAERN CCC(=O)N1CCN(c2nn3c(nc(CC)cc3=O)s2)CC1 ZINC000301199993 416077296 /nfs/dbraw/zinc/07/72/96/416077296.db2.gz WCJQIZKXIXZSEZ-UHFFFAOYSA-N 0 0 321.406 0.772 10 0 DCAERN CO[C@H]1C[C@H](CO)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880795 416003235 /nfs/dbraw/zinc/00/32/35/416003235.db2.gz UVQOELIPDBJPAA-ZJUUUORDSA-N 0 0 311.407 0.652 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000158847418 416003573 /nfs/dbraw/zinc/00/35/73/416003573.db2.gz PAAAPWBMXYBZDA-GFCCVEGCSA-N 0 0 321.420 0.385 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000166729449 416023181 /nfs/dbraw/zinc/02/31/81/416023181.db2.gz LNFQZGDSGBCRHI-CYBMUJFWSA-N 0 0 314.345 0.843 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000170754657 416029875 /nfs/dbraw/zinc/02/98/75/416029875.db2.gz BSMCDUYCICSARE-QWRGUYRKSA-N 0 0 301.306 0.718 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170717659 416030688 /nfs/dbraw/zinc/03/06/88/416030688.db2.gz FDHBTQHNDMRAPE-QWRGUYRKSA-N 0 0 321.343 0.985 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000170839073 416034944 /nfs/dbraw/zinc/03/49/44/416034944.db2.gz WYFXEHNMGGLOJF-QMMMGPOBSA-N 0 0 303.318 0.985 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCN(c2cccnn2)CC1 ZINC000171126802 416035332 /nfs/dbraw/zinc/03/53/32/416035332.db2.gz IVICDDMNTHHHRI-GJZGRUSLSA-N 0 0 322.409 0.155 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)CC(=O)N(C)C)CC2)cc1 ZINC000174636758 416083310 /nfs/dbraw/zinc/08/33/10/416083310.db2.gz OPIRAWYEQRBIPL-UHFFFAOYSA-N 0 0 317.389 0.758 10 0 DCAERN O=C1C[C@H](NC2=NS(=O)(=O)c3ccccc32)CN1C1CC1 ZINC000301484268 416083772 /nfs/dbraw/zinc/08/37/72/416083772.db2.gz GNVKNSIPXVBWGI-VIFPVBQESA-N 0 0 305.359 0.488 10 0 DCAERN CCC(CC)(CCO)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000174748801 416085823 /nfs/dbraw/zinc/08/58/23/416085823.db2.gz MDAIRBSVOYBNIK-ZDUSSCGKSA-N 0 0 301.431 0.805 10 0 DCAERN COC(=O)c1ccc(NC2CCN(CC(N)=O)CC2)nc1C ZINC000301823846 416093723 /nfs/dbraw/zinc/09/37/23/416093723.db2.gz HXVXLTMNMCAYAI-UHFFFAOYSA-N 0 0 306.366 0.538 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CCO)ncn1 ZINC000175148620 416096890 /nfs/dbraw/zinc/09/68/90/416096890.db2.gz NFVPKYWYIXNNGU-RYUDHWBXSA-N 0 0 322.413 0.557 10 0 DCAERN O=C(CCOC1CCOCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000175444475 416105395 /nfs/dbraw/zinc/10/53/95/416105395.db2.gz KPHFIMFACOGQNQ-AWEZNQCLSA-N 0 0 312.410 0.505 10 0 DCAERN Cc1nc(CN2CCCN(S(=O)(=O)CCCF)CC2)no1 ZINC000175595675 416110670 /nfs/dbraw/zinc/11/06/70/416110670.db2.gz GANZYEPOJWIYKL-UHFFFAOYSA-N 0 0 320.390 0.575 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000175816311 416114980 /nfs/dbraw/zinc/11/49/80/416114980.db2.gz WGKSQUAGXALAJG-ZYHUDNBSSA-N 0 0 309.370 0.240 10 0 DCAERN CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(N(C)C)nc1 ZINC000357697163 416118057 /nfs/dbraw/zinc/11/80/57/416118057.db2.gz TVSNIEGSTGAEBX-UHFFFAOYSA-N 0 0 307.398 0.543 10 0 DCAERN CCOCCNC(=O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000175969170 416118295 /nfs/dbraw/zinc/11/82/95/416118295.db2.gz FPIXFYSLOQCOIL-HNNXBMFYSA-N 0 0 313.442 0.326 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)CCCO)C1 ZINC000357723340 416121544 /nfs/dbraw/zinc/12/15/44/416121544.db2.gz YISDHUXGIHAZEF-GFCCVEGCSA-N 0 0 314.430 0.888 10 0 DCAERN CCC(CC)S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000328617850 416123201 /nfs/dbraw/zinc/12/32/01/416123201.db2.gz DCXJKKWBLZYMOQ-JSGCOSHPSA-N 0 0 315.439 0.946 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cccnc2N(C)C)[C@@H](C)C1 ZINC000357757008 416127971 /nfs/dbraw/zinc/12/79/71/416127971.db2.gz ATLGFZQQUCWHGB-LBPRGKRZSA-N 0 0 319.409 0.910 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000176475890 416128067 /nfs/dbraw/zinc/12/80/67/416128067.db2.gz MGFGHYLCGAMAMO-LBPRGKRZSA-N 0 0 314.411 0.365 10 0 DCAERN C(Nc1nnc(C2CCOCC2)s1)c1nnnn1CC1CC1 ZINC000338699473 416128689 /nfs/dbraw/zinc/12/86/89/416128689.db2.gz LPUJTXQZJAGBRP-UHFFFAOYSA-N 0 0 321.410 1.441 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1scnc1C ZINC000176569115 416130229 /nfs/dbraw/zinc/13/02/29/416130229.db2.gz HZGMNNWRYOTSHN-UHFFFAOYSA-N 0 0 305.425 0.691 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877313 416137660 /nfs/dbraw/zinc/13/76/60/416137660.db2.gz KNFKPVOQQSWUKV-UONOGXRCSA-N 0 0 318.439 0.148 10 0 DCAERN COCCCOC1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC000176913048 416138275 /nfs/dbraw/zinc/13/82/75/416138275.db2.gz OVQBRDWSDKHTPH-NSHDSACASA-N 0 0 310.350 0.662 10 0 DCAERN COCCCOC1CN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC000176923569 416138734 /nfs/dbraw/zinc/13/87/34/416138734.db2.gz VWMFFIBSPQFSCM-LLVKDONJSA-N 0 0 300.399 0.801 10 0 DCAERN NC(=O)Cn1cc(C(=O)NCCc2cc(F)ccc2F)nn1 ZINC000177108395 416140954 /nfs/dbraw/zinc/14/09/54/416140954.db2.gz BOPRTHJLMCYOPP-UHFFFAOYSA-N 0 0 309.276 0.014 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cn1nnnc1C(C)C ZINC000177168489 416141628 /nfs/dbraw/zinc/14/16/28/416141628.db2.gz MITZHUSMWZROOO-CYBMUJFWSA-N 0 0 317.397 0.993 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000177435548 416145945 /nfs/dbraw/zinc/14/59/45/416145945.db2.gz ZZCJCLUXVZENSG-DZGCQCFKSA-N 0 0 304.390 0.917 10 0 DCAERN Cc1cc(NC(=O)CSC[C@H](O)CO)n(C(C)(C)C)n1 ZINC000177426925 416146124 /nfs/dbraw/zinc/14/61/24/416146124.db2.gz QANLHTQZPSGBPG-SNVBAGLBSA-N 0 0 301.412 0.971 10 0 DCAERN COCCCOC1CN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000177531981 416148334 /nfs/dbraw/zinc/14/83/34/416148334.db2.gz BKJSOQCXCSPPHS-UHFFFAOYSA-N 0 0 317.349 0.540 10 0 DCAERN O=C(c1cnns1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000329091688 416149566 /nfs/dbraw/zinc/14/95/66/416149566.db2.gz JQOBNYMBGAYIDL-VIFPVBQESA-N 0 0 315.362 0.907 10 0 DCAERN O=C([C@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000329093537 416150066 /nfs/dbraw/zinc/15/00/66/416150066.db2.gz KFCPZYUGQTVQIU-QWHCGFSZSA-N 0 0 315.377 1.311 10 0 DCAERN O=S(=O)(Cc1csc(-c2ccco2)n1)C[C@H](O)CO ZINC000177673692 416150185 /nfs/dbraw/zinc/15/01/85/416150185.db2.gz DZIPBJHTFLFJRQ-SECBINFHSA-N 0 0 303.361 0.671 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357904168 416150549 /nfs/dbraw/zinc/15/05/49/416150549.db2.gz ZXWMTWLWGIMLMK-VIFPVBQESA-N 0 0 310.379 0.795 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC000177726126 416151417 /nfs/dbraw/zinc/15/14/17/416151417.db2.gz QQSBMLQXCWIFPH-JTQLQIEISA-N 0 0 304.358 0.348 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n(C)n1 ZINC000177716767 416151476 /nfs/dbraw/zinc/15/14/76/416151476.db2.gz FNMAJADFLYWMTQ-OCCSQVGLSA-N 0 0 314.345 0.442 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177807844 416152258 /nfs/dbraw/zinc/15/22/58/416152258.db2.gz QZVGYTUXBXHPEC-ZJUUUORDSA-N 0 0 318.333 0.808 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000357919776 416152794 /nfs/dbraw/zinc/15/27/94/416152794.db2.gz CUMIKDNPORSLNA-LBPRGKRZSA-N 0 0 313.361 0.960 10 0 DCAERN COC(=O)[C@@H](C)CC(=O)NC1CCN(c2ncccn2)CC1 ZINC000177871046 416153057 /nfs/dbraw/zinc/15/30/57/416153057.db2.gz UCCVQYOVLMXIMX-NSHDSACASA-N 0 0 306.366 0.761 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000329152200 416153236 /nfs/dbraw/zinc/15/32/36/416153236.db2.gz ANBFLXPFYHKAND-OLZOCXBDSA-N 0 0 305.382 0.088 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000329408287 416167742 /nfs/dbraw/zinc/16/77/42/416167742.db2.gz DDXQVZAPUYZASA-XJFOESAGSA-N 0 0 318.439 0.289 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(-n2cccn2)n1)C(C)C ZINC000178696511 416169043 /nfs/dbraw/zinc/16/90/43/416169043.db2.gz WISAYBHRJDDZJD-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(C)C ZINC000178697576 416169168 /nfs/dbraw/zinc/16/91/68/416169168.db2.gz BNWDCOIQZUGZSK-OAHLLOKOSA-N 0 0 316.361 0.283 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178699994 416169732 /nfs/dbraw/zinc/16/97/32/416169732.db2.gz ANIYFVLVPMBTIN-HOCLYGCPSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178727534 416171123 /nfs/dbraw/zinc/17/11/23/416171123.db2.gz YDULIXKIDJRVKU-QWHCGFSZSA-N 0 0 305.378 0.716 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000182846286 416233346 /nfs/dbraw/zinc/23/33/46/416233346.db2.gz BTAFGMNCJMVCCB-CQSZACIVSA-N 0 0 305.338 0.180 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccccc1Cl ZINC000178966978 416178878 /nfs/dbraw/zinc/17/88/78/416178878.db2.gz IXBHPSFYVDSYFB-NSHDSACASA-N 0 0 322.796 0.395 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1cccc(F)c1)C(C)C ZINC000179124577 416183275 /nfs/dbraw/zinc/18/32/75/416183275.db2.gz RDNCWTZUCWZZHW-CYBMUJFWSA-N 0 0 309.341 0.442 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCN(C)C3=O)CCO2)o1 ZINC000179231883 416184088 /nfs/dbraw/zinc/18/40/88/416184088.db2.gz WAPVZLBGAHYJBO-AAEUAGOBSA-N 0 0 307.350 0.902 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000179185080 416184143 /nfs/dbraw/zinc/18/41/43/416184143.db2.gz MRTUJTFFUZCIIM-ZFWWWQNUSA-N 0 0 319.405 0.062 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179181935 416184183 /nfs/dbraw/zinc/18/41/83/416184183.db2.gz SBEBKJZONAKAKC-KGLIPLIRSA-N 0 0 308.378 0.081 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1c(C)nn(C)c1C ZINC000179243433 416185017 /nfs/dbraw/zinc/18/50/17/416185017.db2.gz RAQGSSTVIPATRP-ZDUSSCGKSA-N 0 0 307.398 0.499 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)C(C)C ZINC000179453100 416186456 /nfs/dbraw/zinc/18/64/56/416186456.db2.gz FIFGSTOSOQQBCA-LBPRGKRZSA-N 0 0 301.350 0.768 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)Cn3ncn(C)c3=O)c2)no1 ZINC000179455138 416189027 /nfs/dbraw/zinc/18/90/27/416189027.db2.gz XWOCLEAJBSFZTD-UHFFFAOYSA-N 0 0 314.305 0.579 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000179592026 416190660 /nfs/dbraw/zinc/19/06/60/416190660.db2.gz BEDDMHPGXYNFBW-SNVBAGLBSA-N 0 0 316.365 0.042 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000179686805 416192938 /nfs/dbraw/zinc/19/29/38/416192938.db2.gz DBZKZDMIBMJAON-CQSZACIVSA-N 0 0 320.370 0.715 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000358110606 416194093 /nfs/dbraw/zinc/19/40/93/416194093.db2.gz SOYXDBOWSWXKNV-FIQHERPVSA-N 0 0 304.412 0.771 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)[nH]1 ZINC000180483404 416197401 /nfs/dbraw/zinc/19/74/01/416197401.db2.gz MFBLDCZLRRMZSV-LBPRGKRZSA-N 0 0 302.338 0.734 10 0 DCAERN CCOCCNC(=O)CSCc1nsc(N(C)C)n1 ZINC000180744590 416199938 /nfs/dbraw/zinc/19/99/38/416199938.db2.gz QBZNAJVHGWLBQC-UHFFFAOYSA-N 0 0 304.441 0.990 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180932322 416202914 /nfs/dbraw/zinc/20/29/14/416202914.db2.gz NJNCQNCVUBSIMB-QMTHXVAHSA-N 0 0 314.345 0.820 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181369365 416205369 /nfs/dbraw/zinc/20/53/69/416205369.db2.gz UPFSLWRPEAYCEE-SECBINFHSA-N 0 0 307.383 0.779 10 0 DCAERN CC[C@H](CO)NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000181318281 416206252 /nfs/dbraw/zinc/20/62/52/416206252.db2.gz OMPOETHIQJUYJM-ZIAGYGMSSA-N 0 0 305.378 0.963 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2cccc3c2OCO3)cn1 ZINC000181336851 416206663 /nfs/dbraw/zinc/20/66/63/416206663.db2.gz UHIOEGIFURYGHE-CYBMUJFWSA-N 0 0 314.345 0.936 10 0 DCAERN CCOC(=O)NCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181414979 416207930 /nfs/dbraw/zinc/20/79/30/416207930.db2.gz UKFXZKOJBWNTOO-GFCCVEGCSA-N 0 0 309.370 0.029 10 0 DCAERN CN(Cc1nnc(C2CCC2)n1C)C[C@H](O)CN1CCOCC1 ZINC000181418271 416208741 /nfs/dbraw/zinc/20/87/41/416208741.db2.gz KHCJAZLTVACHAJ-AWEZNQCLSA-N 0 0 323.441 0.208 10 0 DCAERN COCCCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000181558121 416209870 /nfs/dbraw/zinc/20/98/70/416209870.db2.gz NIOYQZWTDXLOBK-ZDUSSCGKSA-N 0 0 306.366 0.913 10 0 DCAERN O=C(CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)NCC1CC1 ZINC000182055038 416214125 /nfs/dbraw/zinc/21/41/25/416214125.db2.gz FDQSCSIFYVQRNY-LLVKDONJSA-N 0 0 309.288 0.221 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCCOC1 ZINC000341623006 416216237 /nfs/dbraw/zinc/21/62/37/416216237.db2.gz KTAPHWABEQBOFF-TUAOUCFPSA-N 0 0 305.396 0.817 10 0 DCAERN COCc1noc(CN2CCCC[C@H]2CN2CCOCC2)n1 ZINC000182368882 416219034 /nfs/dbraw/zinc/21/90/34/416219034.db2.gz HHFRBWZLPNQUEX-ZDUSSCGKSA-N 0 0 310.398 0.903 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)cc1)N[C@H]1CCC(=O)NC1=O ZINC000182953921 416234701 /nfs/dbraw/zinc/23/47/01/416234701.db2.gz AUWCGLPCZXQAAF-LBPRGKRZSA-N 0 0 313.317 0.799 10 0 DCAERN O=C(Cc1csc(N2CCCC2=O)n1)NC[C@@H](CO)C1CC1 ZINC000358343910 416226409 /nfs/dbraw/zinc/22/64/09/416226409.db2.gz UIELXLGUCYMCBG-NSHDSACASA-N 0 0 323.418 0.947 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)NC[C@@H](CO)C1CC1 ZINC000358345493 416226867 /nfs/dbraw/zinc/22/68/67/416226867.db2.gz WZMWUZDARNIOGH-AWEZNQCLSA-N 0 0 305.378 0.726 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1cnc2ccccc2c1=O ZINC000182825061 416231536 /nfs/dbraw/zinc/23/15/36/416231536.db2.gz HFRKBRVWADZCKF-MRXNPFEDSA-N 0 0 319.361 0.300 10 0 DCAERN Cc1n[nH]cc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178237899 416158545 /nfs/dbraw/zinc/15/85/45/416158545.db2.gz SBSHQPJIHKIOEK-LLVKDONJSA-N 0 0 312.395 0.358 10 0 DCAERN CCc1cc(N2CCC(NC(=O)CC(=O)N(C)C)CC2)ncn1 ZINC000178206387 416158878 /nfs/dbraw/zinc/15/88/78/416158878.db2.gz NWEWZXJAXGALAU-UHFFFAOYSA-N 0 0 319.409 0.602 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CCNC(=O)c1ccsc1 ZINC000182857390 416232754 /nfs/dbraw/zinc/23/27/54/416232754.db2.gz GLHCGBDZVUDPNM-AWEZNQCLSA-N 0 0 314.407 0.772 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)o1 ZINC000183245675 416240222 /nfs/dbraw/zinc/24/02/22/416240222.db2.gz IMYOHOTVPIUCGQ-CYBMUJFWSA-N 0 0 314.407 0.992 10 0 DCAERN C[S@@](=O)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 ZINC000183539547 416245601 /nfs/dbraw/zinc/24/56/01/416245601.db2.gz VAJHQVLNTUJRMY-JOCHJYFZSA-N 0 0 321.406 0.905 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1N1CCOCC1 ZINC000183591266 416247090 /nfs/dbraw/zinc/24/70/90/416247090.db2.gz KAMNJGQZHQHJQQ-XJKSGUPXSA-N 0 0 318.421 0.940 10 0 DCAERN CC(C)n1c(N)nnc1SCCCS(=O)(=O)N(C)C ZINC000330919875 416248523 /nfs/dbraw/zinc/24/85/23/416248523.db2.gz OSSRVFNPFUBGLP-UHFFFAOYSA-N 0 0 307.445 0.815 10 0 DCAERN O=C(NCCNc1cnccn1)NCc1ccc2cc[nH]c2n1 ZINC000358544822 416253299 /nfs/dbraw/zinc/25/32/99/416253299.db2.gz YVZKPEWFYRSMQE-UHFFFAOYSA-N 0 0 311.349 1.264 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1ccccc1C(N)=O ZINC000185927199 416254933 /nfs/dbraw/zinc/25/49/33/416254933.db2.gz FTNFZKKEOMLIGB-INIZCTEOSA-N 0 0 318.377 0.454 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCN1CCO[C@@]2(CCOC2)C1 ZINC000185199501 416255277 /nfs/dbraw/zinc/25/52/77/416255277.db2.gz FPDRCCGHSDLUNS-KRWDZBQOSA-N 0 0 316.357 0.774 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)CCN1CCO ZINC000187280168 416260720 /nfs/dbraw/zinc/26/07/20/416260720.db2.gz KTEWKZLZSJYJMO-GFCCVEGCSA-N 0 0 323.368 0.081 10 0 DCAERN NC(=O)c1coc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)c1 ZINC000189648289 416267908 /nfs/dbraw/zinc/26/79/08/416267908.db2.gz OBCIQWJQQWBWCP-UHFFFAOYSA-N 0 0 323.255 0.912 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)[C@@H](C)C1 ZINC000358693188 416269550 /nfs/dbraw/zinc/26/95/50/416269550.db2.gz RASYWFQOOJKYJS-JSGCOSHPSA-N 0 0 309.410 0.713 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000190149842 416276576 /nfs/dbraw/zinc/27/65/76/416276576.db2.gz JUAIYXXSDPTUPU-QWRGUYRKSA-N 0 0 310.398 0.306 10 0 DCAERN CCCn1ccnc1CCCN(C)C(=O)CN1CC(=O)NC1=O ZINC000192256723 416303411 /nfs/dbraw/zinc/30/34/11/416303411.db2.gz YCDGWQUMXSEQFA-UHFFFAOYSA-N 0 0 321.381 0.236 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C)C1 ZINC000359059552 416304775 /nfs/dbraw/zinc/30/47/75/416304775.db2.gz BBUCUQLSYHKHGO-YPMHNXCESA-N 0 0 324.425 0.648 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1CCOC[C@@H]1C ZINC000192573507 416308303 /nfs/dbraw/zinc/30/83/03/416308303.db2.gz PDDHDMRMNSKQGN-CABZTGNLSA-N 0 0 318.377 0.928 10 0 DCAERN O=c1n(CCn2cnc3ccsc3c2=O)nc2ccccn21 ZINC000192608563 416308592 /nfs/dbraw/zinc/30/85/92/416308592.db2.gz DBJBWCLWKIORJM-UHFFFAOYSA-N 0 0 313.342 0.968 10 0 DCAERN CC(C)[C@H](NC(=O)C1CCC(O)CC1)C(=O)N1CCOCC1 ZINC000194390571 416322517 /nfs/dbraw/zinc/32/25/17/416322517.db2.gz BJCKXZCJPALCJC-RUXDESIVSA-N 0 0 312.410 0.537 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2nc(CC)c(C)s2)C1 ZINC000193253650 416314253 /nfs/dbraw/zinc/31/42/53/416314253.db2.gz VKDJOHJIHBFPOU-UHFFFAOYSA-N 0 0 324.406 0.547 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1C ZINC000193374342 416315335 /nfs/dbraw/zinc/31/53/35/416315335.db2.gz DGLUHMDBYBXIST-NWANDNLSSA-N 0 0 320.389 0.860 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cccnc1N(C)C ZINC000193753922 416318959 /nfs/dbraw/zinc/31/89/59/416318959.db2.gz KUHCECRCCLPRQY-CMPLNLGQSA-N 0 0 305.382 0.471 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@]1(CC)CO ZINC000191372363 416286836 /nfs/dbraw/zinc/28/68/36/416286836.db2.gz SCUPVFISODNBDE-OAHLLOKOSA-N 0 0 308.382 0.995 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@@](C)(O)C1 ZINC000192045123 416298943 /nfs/dbraw/zinc/29/89/43/416298943.db2.gz IBCDXOVIMJOBBM-MEBBXXQBSA-N 0 0 306.366 0.776 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247465960 416333015 /nfs/dbraw/zinc/33/30/15/416333015.db2.gz RGGZXQNIHYGJPK-STQMWFEESA-N 0 0 302.440 0.752 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248657797 416333679 /nfs/dbraw/zinc/33/36/79/416333679.db2.gz FRGTZHVVGWQEEC-UTUOFQBUSA-N 0 0 304.412 0.436 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2ccccc2F)C1 ZINC000265251950 416341272 /nfs/dbraw/zinc/34/12/72/416341272.db2.gz AUBDPXPCFCNVLZ-GWCFXTLKSA-N 0 0 302.371 0.483 10 0 DCAERN CCc1nn(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000359354804 416343621 /nfs/dbraw/zinc/34/36/21/416343621.db2.gz YLEMQHCKCUEKGO-VIFPVBQESA-N 0 0 318.381 0.700 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H](CO)C1CC1 ZINC000359779871 416358733 /nfs/dbraw/zinc/35/87/33/416358733.db2.gz ZTQAJGXFNNHVEB-GFCCVEGCSA-N 0 0 316.357 0.807 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000359480344 416347734 /nfs/dbraw/zinc/34/77/34/416347734.db2.gz JZUAWGWMSBTLIG-PSASIEDQSA-N 0 0 307.354 0.710 10 0 DCAERN Cc1cc(NC(=O)CN(C)C(=O)c2cccc3ncnn32)no1 ZINC000359655825 416351889 /nfs/dbraw/zinc/35/18/89/416351889.db2.gz DOSVMEVEFLJLGX-UHFFFAOYSA-N 0 0 314.305 0.736 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cnc2cc(OC)ccc2c1O ZINC000359683180 416353406 /nfs/dbraw/zinc/35/34/06/416353406.db2.gz YLMVQNYTVIEXGL-SECBINFHSA-N 0 0 306.318 0.274 10 0 DCAERN CNc1ncnc2c1cnn2CCCN1C(=O)NC(C)(C)C1=O ZINC000194427321 416323449 /nfs/dbraw/zinc/32/34/49/416323449.db2.gz LMGCGLOAFIHSQF-UHFFFAOYSA-N 0 0 317.353 0.589 10 0 DCAERN CCOC(=O)NCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000194653911 416324080 /nfs/dbraw/zinc/32/40/80/416324080.db2.gz WZIWPSOAALNPOK-UHFFFAOYSA-N 0 0 303.322 0.630 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000195247554 416325891 /nfs/dbraw/zinc/32/58/91/416325891.db2.gz HUYSBRPYEXIIOP-OLZOCXBDSA-N 0 0 317.411 0.257 10 0 DCAERN C[C@H](CN(C)CCN1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000195318651 416326355 /nfs/dbraw/zinc/32/63/55/416326355.db2.gz XIHJVFWCPDOPIM-MCIONIFRSA-N 0 0 306.472 0.708 10 0 DCAERN CN(C[C@H](c1cccs1)N1CCOCC1)[C@H]1CCNC1=O ZINC000245681456 416331230 /nfs/dbraw/zinc/33/12/30/416331230.db2.gz KTYNJYYAGKDQIL-QWHCGFSZSA-N 0 0 309.435 0.942 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246096410 416331623 /nfs/dbraw/zinc/33/16/23/416331623.db2.gz IYPJYEMGVBVCCA-BREBYQMCSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000359838310 416362188 /nfs/dbraw/zinc/36/21/88/416362188.db2.gz VQXCUJOXFFJMHP-KCXAZCMYSA-N 0 0 308.378 0.267 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000277132946 287328357 /nfs/dbraw/zinc/32/83/57/287328357.db2.gz OWXSVUAOTWAAQG-JSGCOSHPSA-N 0 0 305.378 0.870 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(NC[C@@](C)(O)CO)c1 ZINC000360123122 416372110 /nfs/dbraw/zinc/37/21/10/416372110.db2.gz OAMBCQVEYSDEGR-CYBMUJFWSA-N 0 0 301.364 0.448 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C1 ZINC000360895318 416415522 /nfs/dbraw/zinc/41/55/22/416415522.db2.gz IGMDBBGRNZNYNG-AWEZNQCLSA-N 0 0 315.373 0.730 10 0 DCAERN Cc1cccc(OCCNC(=O)[C@H](C)N2CC(=O)N(C)C2)c1 ZINC000360486307 416392529 /nfs/dbraw/zinc/39/25/29/416392529.db2.gz DODQCQUJLJVXQI-ZDUSSCGKSA-N 0 0 305.378 0.610 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1ccc2cc[nH]c2n1)[C@@H](C)CO ZINC000360491998 416392889 /nfs/dbraw/zinc/39/28/89/416392889.db2.gz PETHHXZHHYJDQX-WDEREUQCSA-N 0 0 306.366 0.836 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000360507331 416393602 /nfs/dbraw/zinc/39/36/02/416393602.db2.gz MQLHATPPPKTBHJ-AAVRWANBSA-N 0 0 321.421 0.903 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)Cc1cccs1 ZINC000458454107 416470649 /nfs/dbraw/zinc/47/06/49/416470649.db2.gz ZFRFPNOZVUFKJT-NWDGAFQWSA-N 0 0 323.422 0.879 10 0 DCAERN O=C(c1ccn(C2CCCC2)n1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618786 416478014 /nfs/dbraw/zinc/47/80/14/416478014.db2.gz KOULVXLUBYSFNF-HNNXBMFYSA-N 0 0 316.365 0.850 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](SC)C2)C1 ZINC000458552221 416480720 /nfs/dbraw/zinc/48/07/20/416480720.db2.gz VGFFPCYWSTWZAQ-QWRGUYRKSA-N 0 0 300.428 0.937 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H]2C[C@H]2C)c1C ZINC000361708198 416481733 /nfs/dbraw/zinc/48/17/33/416481733.db2.gz YGTBFJHIBCLPNQ-PSASIEDQSA-N 0 0 308.338 0.075 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(OC)C2CC2)C1 ZINC000361551700 416446174 /nfs/dbraw/zinc/44/61/74/416446174.db2.gz QKKPKDNGBFZJQB-IUODEOHRSA-N 0 0 312.414 0.905 10 0 DCAERN CC[C@]1(O)CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000361921248 416524006 /nfs/dbraw/zinc/52/40/06/416524006.db2.gz AUDZHFKQQJCTQO-HNNXBMFYSA-N 0 0 308.382 0.855 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)CC1(O)CCC1 ZINC000361952846 416533118 /nfs/dbraw/zinc/53/31/18/416533118.db2.gz QRGXPQAHQFMDAQ-UHFFFAOYSA-N 0 0 308.382 0.855 10 0 DCAERN COc1cc(C)ccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459363320 416537566 /nfs/dbraw/zinc/53/75/66/416537566.db2.gz ZCLYEBGNCADHQS-LLVKDONJSA-N 0 0 305.338 0.778 10 0 DCAERN COC[C@H](NC(=O)CN1CCN(C)C(=O)C1)c1ccccc1 ZINC000436329038 416553109 /nfs/dbraw/zinc/55/31/09/416553109.db2.gz BJDQUXDOSQFJOJ-AWEZNQCLSA-N 0 0 305.378 0.264 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)NCc2ccn(C)n2)C1(C)C ZINC000436371665 416556326 /nfs/dbraw/zinc/55/63/26/416556326.db2.gz WSAFLENAAUCSPY-DOMZBBRYSA-N 0 0 310.398 0.785 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccn(C)n1)C2 ZINC000534295916 416498018 /nfs/dbraw/zinc/49/80/18/416498018.db2.gz FUWZTHVIYKDJNR-GFCCVEGCSA-N 0 0 300.366 0.875 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 ZINC000361816266 416503195 /nfs/dbraw/zinc/50/31/95/416503195.db2.gz XHJVRZMDOYYKGT-OAHLLOKOSA-N 0 0 308.382 0.759 10 0 DCAERN Cn1cc(OCC(=O)NCCNC(=O)c2ccc(O)cc2)cn1 ZINC000436486446 416561069 /nfs/dbraw/zinc/56/10/69/416561069.db2.gz NIMMUGSGFNLYRB-UHFFFAOYSA-N 0 0 318.333 0.051 10 0 DCAERN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000361874388 416515073 /nfs/dbraw/zinc/51/50/73/416515073.db2.gz SFKNCKXKOLTXAO-CYBMUJFWSA-N 0 0 318.377 0.868 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCn1cnccc1=O ZINC000585237959 416519714 /nfs/dbraw/zinc/51/97/14/416519714.db2.gz ASEACBJXQDEAHG-IAQYHMDHSA-N 0 0 315.329 0.588 10 0 DCAERN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CC(n2ccnn2)C1 ZINC000361909956 416520868 /nfs/dbraw/zinc/52/08/68/416520868.db2.gz WQANVSRMVDEQTM-LBPRGKRZSA-N 0 0 315.308 0.927 10 0 DCAERN C[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000362221815 416565805 /nfs/dbraw/zinc/56/58/05/416565805.db2.gz QGXWOWZTTINKIZ-GHMZBOCLSA-N 0 0 307.398 1.524 10 0 DCAERN CC(C)(C)c1nc(N[C@H]2CCN(C3CCOCC3)C2=O)no1 ZINC000364657474 416592333 /nfs/dbraw/zinc/59/23/33/416592333.db2.gz UVRYNEFIPPATAN-NSHDSACASA-N 0 0 308.382 1.559 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1 ZINC000365711893 416609207 /nfs/dbraw/zinc/60/92/07/416609207.db2.gz MXAASRBHLXBCDG-VXGBXAGGSA-N 0 0 313.427 0.961 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)cc1O ZINC000436717549 416567692 /nfs/dbraw/zinc/56/76/92/416567692.db2.gz HKXBKSZGZJTTPS-DTWKUNHWSA-N 0 0 324.333 0.284 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(OC)n1 ZINC000362658591 416569187 /nfs/dbraw/zinc/56/91/87/416569187.db2.gz RSCZSOGPIBCYOJ-UWVGGRQHSA-N 0 0 310.354 0.662 10 0 DCAERN O=C1NCCN(C[C@H](O)COC[C@@H]2CCCO2)c2ccccc21 ZINC000539097501 416577365 /nfs/dbraw/zinc/57/73/65/416577365.db2.gz YCIJJTMFHPJVHX-KBPBESRZSA-N 0 0 320.389 0.793 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CC(=O)N(C)C1 ZINC000539747435 416582228 /nfs/dbraw/zinc/58/22/28/416582228.db2.gz NUVHWQLKVQRFDQ-UHFFFAOYSA-N 0 0 303.362 0.336 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000364286780 416582496 /nfs/dbraw/zinc/58/24/96/416582496.db2.gz DVPFHBUUMKSUBJ-PWSUYJOCSA-N 0 0 305.382 0.796 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)COCc2nc(C)no2)no1 ZINC000441726519 416678903 /nfs/dbraw/zinc/67/89/03/416678903.db2.gz IMBSNZFRUUJXIM-UHFFFAOYSA-N 0 0 309.326 0.892 10 0 DCAERN O=C(C1=COCCC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000366080875 416616383 /nfs/dbraw/zinc/61/63/83/416616383.db2.gz BSMYOTFLPHVOLS-ZDUSSCGKSA-N 0 0 314.407 0.707 10 0 DCAERN c1nnc2c(NCc3ccc(CN4CCOCC4)cc3)nccn12 ZINC000439715087 416621686 /nfs/dbraw/zinc/62/16/86/416621686.db2.gz CWYYRCKGHQGHFN-UHFFFAOYSA-N 0 0 324.388 1.569 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C[C@H]1O ZINC000439845668 416621755 /nfs/dbraw/zinc/62/17/55/416621755.db2.gz ZFBCLTWEXUAAQP-ZWNOBZJWSA-N 0 0 317.345 0.201 10 0 DCAERN COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000440097556 416626634 /nfs/dbraw/zinc/62/66/34/416626634.db2.gz FUCNQAGCFVLXMS-LBPRGKRZSA-N 0 0 323.393 0.513 10 0 DCAERN O=C(NCCOc1ncccc1F)N1CCN2CCOC[C@@H]2C1 ZINC000542737511 416629444 /nfs/dbraw/zinc/62/94/44/416629444.db2.gz BAEHGRYMQKXPOU-LBPRGKRZSA-N 0 0 324.356 0.326 10 0 DCAERN O=C(N[C@@H](CCO)C1CCOCC1)c1cn2cccnc2n1 ZINC000545186979 416665268 /nfs/dbraw/zinc/66/52/68/416665268.db2.gz XWVXWMOUCOYGHA-LBPRGKRZSA-N 0 0 304.350 0.637 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000368707528 416684812 /nfs/dbraw/zinc/68/48/12/416684812.db2.gz RDAJGNKZWRQJPP-JTQLQIEISA-N 0 0 303.409 0.157 10 0 DCAERN CCOC(=O)[C@H]1CSCCN1S(=O)(=O)N1CCC[C@H]1C ZINC000545318913 416672235 /nfs/dbraw/zinc/67/22/35/416672235.db2.gz JLGSPIVXXAIGFB-GHMZBOCLSA-N 0 0 322.452 0.696 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)CN1CC(=O)NC1=O ZINC000545305363 416672783 /nfs/dbraw/zinc/67/27/83/416672783.db2.gz HZHLDGHIECJHFJ-UHFFFAOYSA-N 0 0 316.317 0.086 10 0 DCAERN O=C(c1ncsc1Br)N1CCO[C@@H](CO)C1 ZINC000557658901 416744634 /nfs/dbraw/zinc/74/46/34/416744634.db2.gz ZDHKRKWFYXLZOG-ZCFIWIBFSA-N 0 0 307.169 0.739 10 0 DCAERN O=C1[C@@H](Nc2nnc(-c3ccccn3)s2)CCCN1CCO ZINC000549001933 416693844 /nfs/dbraw/zinc/69/38/44/416693844.db2.gz NYABJXPVWKRZFO-NSHDSACASA-N 0 0 319.390 0.995 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2nnc(C3CC3)s2)[C@@H](C)C1 ZINC000551043170 416695482 /nfs/dbraw/zinc/69/54/82/416695482.db2.gz NMZKQKYKUPXKDM-QMMMGPOBSA-N 0 0 309.395 1.500 10 0 DCAERN NS(=O)(=O)C1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000442649387 416702718 /nfs/dbraw/zinc/70/27/18/416702718.db2.gz OCBNIDKIQARBLU-UHFFFAOYSA-N 0 0 322.390 0.316 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)[C@@](C)(O)Cc2ccccc2)C1 ZINC000516215495 416719129 /nfs/dbraw/zinc/71/91/29/416719129.db2.gz WROWYHWTKKZNEJ-RDJZCZTQSA-N 0 0 304.390 0.965 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000442921520 416719664 /nfs/dbraw/zinc/71/96/64/416719664.db2.gz RMGBAKBAPXZWBX-MFKMUULPSA-N 0 0 304.412 0.436 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000369100774 416724084 /nfs/dbraw/zinc/72/40/84/416724084.db2.gz PZXGSTDLNJXDNH-UHFFFAOYSA-N 0 0 313.357 0.911 10 0 DCAERN CC(C)(C)CS(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000443023292 416725803 /nfs/dbraw/zinc/72/58/03/416725803.db2.gz JDMUTXSTPIHOCN-GFCCVEGCSA-N 0 0 318.439 0.732 10 0 DCAERN COc1cccc(OC)c1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000369389035 416765792 /nfs/dbraw/zinc/76/57/92/416765792.db2.gz KXLDTFXHYHISRV-GFCCVEGCSA-N 0 0 306.362 0.860 10 0 DCAERN O=C(CCc1ncc(-c2ccccc2)o1)N1CC(O)(CO)C1 ZINC000615420235 416824336 /nfs/dbraw/zinc/82/43/36/416824336.db2.gz VPXONOWNQSFJTG-UHFFFAOYSA-N 0 0 302.330 0.840 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623275238 416788807 /nfs/dbraw/zinc/78/88/07/416788807.db2.gz CZZUTKHRRZWFFX-NVXWUHKLSA-N 0 0 324.384 0.897 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000369558930 416795481 /nfs/dbraw/zinc/79/54/81/416795481.db2.gz FACAVISSXWMKGE-DGCLKSJQSA-N 0 0 312.414 0.003 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1=O ZINC000559275477 416806340 /nfs/dbraw/zinc/80/63/40/416806340.db2.gz GUNFLTSUZDATQE-LBPRGKRZSA-N 0 0 304.350 0.945 10 0 DCAERN CCO[C@H]1C[C@](NCC(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444748738 416865559 /nfs/dbraw/zinc/86/55/59/416865559.db2.gz RNTSKSSSMSQHOV-NHYWBVRUSA-N 0 0 300.399 0.801 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CC1 ZINC000615632678 416874907 /nfs/dbraw/zinc/87/49/07/416874907.db2.gz VKPFOZYPGHNGJJ-NDMJEZRESA-N 0 0 309.366 0.248 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000370064957 416878429 /nfs/dbraw/zinc/87/84/29/416878429.db2.gz LPQABOPYIWXKHU-YPMHNXCESA-N 0 0 311.382 0.197 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H](C)c2ncn(C)n2)c1 ZINC000445195015 416890971 /nfs/dbraw/zinc/89/09/71/416890971.db2.gz LQNGNWQYZURFBB-MRVPVSSYSA-N 0 0 321.312 0.779 10 0 DCAERN C[C@@H](CN1C[C@@]2(CCOC2)OC(C)(C)C1)CS(C)(=O)=O ZINC000369856831 416839277 /nfs/dbraw/zinc/83/92/77/416839277.db2.gz PFIQEQQCBNBWMZ-GXTWGEPZSA-N 0 0 305.440 0.937 10 0 DCAERN O=C(C[C@@H]1OC(=O)c2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000369903475 416846008 /nfs/dbraw/zinc/84/60/08/416846008.db2.gz YNHQDCNWUAYPDU-DOMZBBRYSA-N 0 0 316.357 0.831 10 0 DCAERN CCc1ncnc(NC[C@]2(N3CCOCC3)CCCOC2)c1F ZINC000371414475 416915457 /nfs/dbraw/zinc/91/54/57/416915457.db2.gz IEJSEVCKSMMRAI-MRXNPFEDSA-N 0 0 324.400 1.471 10 0 DCAERN Cn1cc([C@@H](NC(=O)N[C@@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000446308729 416920987 /nfs/dbraw/zinc/92/09/87/416920987.db2.gz ZBWYUJYUSPZRKM-PSASIEDQSA-N 0 0 319.287 0.601 10 0 DCAERN CC1CCC(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000632143316 416929138 /nfs/dbraw/zinc/92/91/38/416929138.db2.gz SQLCSZDPEIEYGM-VQXHTEKXSA-N 0 0 310.441 0.258 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000519712985 416929365 /nfs/dbraw/zinc/92/93/65/416929365.db2.gz RLZOQPKXELEQDG-DGCLKSJQSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000372357817 416933708 /nfs/dbraw/zinc/93/37/08/416933708.db2.gz PVHWFOLYWBZSAO-QWRGUYRKSA-N 0 0 309.366 0.535 10 0 DCAERN CCn1nccc1NC(=O)C(=O)NC[C@H](CO)c1ccccc1 ZINC000446804272 416949580 /nfs/dbraw/zinc/94/95/80/416949580.db2.gz QNQKEEOMWUKOJW-CYBMUJFWSA-N 0 0 316.361 0.734 10 0 DCAERN CCc1nc(C)cc(N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000376404936 417027968 /nfs/dbraw/zinc/02/79/68/417027968.db2.gz BNHZAABEIBSAJO-CYBMUJFWSA-N 0 0 304.394 1.539 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCCc2nnc[nH]2)c1 ZINC000565637098 417000632 /nfs/dbraw/zinc/00/06/32/417000632.db2.gz KXXRQCNLXPFKJG-UHFFFAOYSA-N 0 0 323.378 0.075 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H](CO)c1ccccc1 ZINC000616433525 417044575 /nfs/dbraw/zinc/04/45/75/417044575.db2.gz QPKRBAHKRGOQMX-WMLDXEAASA-N 0 0 320.389 0.516 10 0 DCAERN CC(=O)CN(C(C)C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632378453 417054262 /nfs/dbraw/zinc/05/42/62/417054262.db2.gz SQGFEUHSHBYZLN-LBPRGKRZSA-N 0 0 302.396 0.379 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H](O)COC[C@H]1CCCO1 ZINC000522224406 417057646 /nfs/dbraw/zinc/05/76/46/417057646.db2.gz HIVYFTGVSJQUEK-ZOBORPQBSA-N 0 0 323.455 0.296 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCCCCCO)c1 ZINC000448009090 417057970 /nfs/dbraw/zinc/05/79/70/417057970.db2.gz AZHZPTFZSCMJMU-UHFFFAOYSA-N 0 0 315.395 0.879 10 0 DCAERN Cc1noc(C2CN(C(=O)Nc3ncn(C(C)(C)C)n3)C2)n1 ZINC000567564316 417064369 /nfs/dbraw/zinc/06/43/69/417064369.db2.gz ZJZAHUAJHCTFPP-UHFFFAOYSA-N 0 0 305.342 1.356 10 0 DCAERN COC(=O)[C@@H]1C[C@@]2(CNC(=O)O2)CN1C(=O)OC(C)(C)C ZINC000616579746 417081370 /nfs/dbraw/zinc/08/13/70/417081370.db2.gz SUAORBZEDQYEGX-ISVAXAHUSA-N 0 0 300.311 0.647 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616650930 417086299 /nfs/dbraw/zinc/08/62/99/417086299.db2.gz MBPDPTWBBVJVCM-LLVKDONJSA-N 0 0 322.427 0.952 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NC[C@@](C)(O)COC ZINC000382561211 417086518 /nfs/dbraw/zinc/08/65/18/417086518.db2.gz LBJNKPDXOKQXHN-CYBMUJFWSA-N 0 0 302.396 0.794 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(N)(=O)=O)CC1 ZINC000616631031 417086980 /nfs/dbraw/zinc/08/69/80/417086980.db2.gz PUQMMEWNQPJVRF-JTQLQIEISA-N 0 0 307.416 0.911 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1COCCN(S(C)(=O)=O)C1 ZINC000616663886 417088961 /nfs/dbraw/zinc/08/89/61/417088961.db2.gz ONOMCIXYXZVQJR-NSHDSACASA-N 0 0 322.427 0.809 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3nnccc3c2)C1 ZINC000616663762 417089428 /nfs/dbraw/zinc/08/94/28/417089428.db2.gz MRCOXGJVGOVTAR-GFCCVEGCSA-N 0 0 308.363 0.249 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1COCCN(S(C)(=O)=O)C1 ZINC000616664401 417091315 /nfs/dbraw/zinc/09/13/15/417091315.db2.gz TYBITRQIQNRBCP-SNVBAGLBSA-N 0 0 308.400 0.514 10 0 DCAERN COC[C@](C)(O)CNC(=O)CCc1nc2ccccc2oc1=O ZINC000524716269 417115821 /nfs/dbraw/zinc/11/58/21/417115821.db2.gz QWLNNGNEODDJOC-MRXNPFEDSA-N 0 0 320.345 0.634 10 0 DCAERN CN1CCO[C@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476135 417116108 /nfs/dbraw/zinc/11/61/08/417116108.db2.gz TWRYJJJVTYVDLH-STQMWFEESA-N 0 0 318.439 0.026 10 0 DCAERN Cc1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1F ZINC000404190099 417117687 /nfs/dbraw/zinc/11/76/87/417117687.db2.gz FBRMBBAQDVHIAV-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1nscc1Br ZINC000404824339 417120057 /nfs/dbraw/zinc/12/00/57/417120057.db2.gz UQSTVMRATOJBKK-RXMQYKEDSA-N 0 0 309.141 0.169 10 0 DCAERN C[C@H]1CN(CCCO[C@@H]2CCCCO2)CCN1S(C)(=O)=O ZINC000407982114 417130949 /nfs/dbraw/zinc/13/09/49/417130949.db2.gz FEBOWWAWKITGDQ-UONOGXRCSA-N 0 0 320.455 0.885 10 0 DCAERN Cc1c(C(=O)N2CCCO[C@H](C)C2)cccc1S(N)(=O)=O ZINC000407981299 417130535 /nfs/dbraw/zinc/13/05/35/417130535.db2.gz SIKIDCFQKPSRGU-SNVBAGLBSA-N 0 0 312.391 0.893 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CC1CCCC1 ZINC000408146861 417142353 /nfs/dbraw/zinc/14/23/53/417142353.db2.gz WEWYGJHNHQXRPS-NSHDSACASA-N 0 0 310.441 0.259 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCc2cnccn2)C1 ZINC000525917289 417160609 /nfs/dbraw/zinc/16/06/09/417160609.db2.gz GHBVJEUQYJUCPE-LBPRGKRZSA-N 0 0 306.370 0.122 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cc(C(N)=O)cs2)CC12COC2 ZINC000449365429 417145146 /nfs/dbraw/zinc/14/51/46/417145146.db2.gz PMRAFKHYGWSGPT-LBPRGKRZSA-N 0 0 324.402 0.859 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)CC2 ZINC000408202103 417147650 /nfs/dbraw/zinc/14/76/50/417147650.db2.gz HOLXAHZGQBZGEC-SRVKXCTJSA-N 0 0 308.378 0.703 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000408238840 417148832 /nfs/dbraw/zinc/14/88/32/417148832.db2.gz UQDKTNLJAHNLNT-GHMZBOCLSA-N 0 0 314.411 0.739 10 0 DCAERN O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN2CCOC[C@H]2C1 ZINC000568566533 417151374 /nfs/dbraw/zinc/15/13/74/417151374.db2.gz MAYHQOVSFQQPBS-CABCVRRESA-N 0 0 317.389 0.716 10 0 DCAERN C[C@H]1CN(CC(=O)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000408392455 417159760 /nfs/dbraw/zinc/15/97/60/417159760.db2.gz GUBFCXKNGFGKDU-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408388835 417160083 /nfs/dbraw/zinc/16/00/83/417160083.db2.gz XSXWVUQXYFETNH-RYUDHWBXSA-N 0 0 323.393 0.734 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2nccc(N(C)C)n2)[C@@H](C)C1 ZINC000432435460 417180202 /nfs/dbraw/zinc/18/02/02/417180202.db2.gz QWXNRRUGFAGRDL-JTQLQIEISA-N 0 0 306.370 0.627 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)n2)O1 ZINC000450115990 417199095 /nfs/dbraw/zinc/19/90/95/417199095.db2.gz QRZKRBMCSVBRKL-VXNVDRBHSA-N 0 0 317.267 0.863 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632671476 417222268 /nfs/dbraw/zinc/22/22/68/417222268.db2.gz OZDNDIQIRUOEAG-XHNCKOQMSA-N 0 0 305.318 0.454 10 0 DCAERN COC(=O)c1nc(N2CCS(=O)(=O)[C@H](C)C2)sc1C ZINC000433760851 417285605 /nfs/dbraw/zinc/28/56/05/417285605.db2.gz YJPSCQDJNKZTSV-SSDOTTSWSA-N 0 0 304.393 0.861 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N(C)CC2CC2)CC12COC2 ZINC000451128173 417300889 /nfs/dbraw/zinc/30/08/89/417300889.db2.gz BCUIIDIZNVSLKV-CYBMUJFWSA-N 0 0 310.394 0.366 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127347 417301322 /nfs/dbraw/zinc/30/13/22/417301322.db2.gz AHHSVGGEZAKYNG-GFCCVEGCSA-N 0 0 323.345 0.660 10 0 DCAERN O=S(=O)(CCC1CCCC1)N1CCN2CCOC[C@H]2C1 ZINC000451391760 417340429 /nfs/dbraw/zinc/34/04/29/417340429.db2.gz FILOVJBHANUOBR-CQSZACIVSA-N 0 0 302.440 0.913 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000633289941 417400972 /nfs/dbraw/zinc/40/09/72/417400972.db2.gz LSIMGLZNWSPRMY-JTQLQIEISA-N 0 0 321.299 0.578 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000633360573 417416856 /nfs/dbraw/zinc/41/68/56/417416856.db2.gz UWCQMDUXFUOLFF-FRRDWIJNSA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000633810113 417489167 /nfs/dbraw/zinc/48/91/67/417489167.db2.gz CMORGUMFENOXJJ-ARFHVFGLSA-N 0 0 318.373 0.648 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(C(C)=O)c[nH]2)CC12COC2 ZINC000452229375 417459334 /nfs/dbraw/zinc/45/93/34/417459334.db2.gz PMLWHIDPYXUMMH-GFCCVEGCSA-N 0 0 320.345 0.869 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000633602982 417461344 /nfs/dbraw/zinc/46/13/44/417461344.db2.gz RQZZYMATSPAMMS-QWHCGFSZSA-N 0 0 322.409 0.607 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(C)[nH]c(=O)c2)CC12COC2 ZINC000452264562 417461825 /nfs/dbraw/zinc/46/18/25/417461825.db2.gz OPUXWMQYOXMTAE-GFCCVEGCSA-N 0 0 320.345 0.747 10 0 DCAERN COc1cncc(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1 ZINC000644121362 417476355 /nfs/dbraw/zinc/47/63/55/417476355.db2.gz IMERJRXOYSCRHS-KOLCDFICSA-N 0 0 303.322 0.811 10 0 DCAERN COC[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000454073689 417546122 /nfs/dbraw/zinc/54/61/22/417546122.db2.gz JCKNZTGQTQBJEM-LLVKDONJSA-N 0 0 323.397 0.999 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCC(F)(F)F)CC12COC2 ZINC000454206693 417552569 /nfs/dbraw/zinc/55/25/69/417552569.db2.gz OTRVAIAQJOFVBH-MRVPVSSYSA-N 0 0 310.272 0.770 10 0 DCAERN Cn1cc(-c2c[nH]cc2C(=O)NC[C@H](O)[C@H]2CCCO2)cn1 ZINC000529764953 417498588 /nfs/dbraw/zinc/49/85/88/417498588.db2.gz HTZNVFKZNFQNKN-UONOGXRCSA-N 0 0 304.350 0.685 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCOC)CC12COC2 ZINC000454425307 417561893 /nfs/dbraw/zinc/56/18/93/417561893.db2.gz KNAWFVUGUNYKNL-NEPJUHHUSA-N 0 0 314.382 0.633 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)on1 ZINC000576182196 417587469 /nfs/dbraw/zinc/58/74/69/417587469.db2.gz XIOSOKREBRUTTL-MNOVXSKESA-N 0 0 315.395 0.743 10 0 DCAERN CCc1nncn1CCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000530823363 417590950 /nfs/dbraw/zinc/59/09/50/417590950.db2.gz WZDGFVOCTJLAPV-UHFFFAOYSA-N 0 0 318.381 0.791 10 0 DCAERN Cc1nc(NC(=O)NCC[C@H]2COc3ccccc3O2)nn1C ZINC000455518864 417607780 /nfs/dbraw/zinc/60/77/80/417607780.db2.gz NZWGOCDKRMVISY-NSHDSACASA-N 0 0 317.349 1.475 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1CCN(c2nccnn2)CC1 ZINC000628381332 417613929 /nfs/dbraw/zinc/61/39/29/417613929.db2.gz AGTUARVOHRHTAF-UHFFFAOYSA-N 0 0 305.382 0.916 10 0 DCAERN CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@H](C)O ZINC000454462638 417563308 /nfs/dbraw/zinc/56/33/08/417563308.db2.gz NNCALMXLEUKXIP-JOYOIKCWSA-N 0 0 315.395 0.876 10 0 DCAERN O=C(c1cnc2ccccn12)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000576662724 417628842 /nfs/dbraw/zinc/62/88/42/417628842.db2.gz VNKPPKNPBSATBP-OAHLLOKOSA-N 0 0 313.317 0.149 10 0 DCAERN CN1CCC[C@@H](NC(=O)Cn2cc(-c3ccccc3)nn2)C1=O ZINC000531631937 417632442 /nfs/dbraw/zinc/63/24/42/417632442.db2.gz PJSGHAIRDIDJNM-CYBMUJFWSA-N 0 0 313.361 0.682 10 0 DCAERN CN(Cc1nnnn1C)c1cnn(C(C)(C)C)c(=O)c1Cl ZINC000531813509 417642949 /nfs/dbraw/zinc/64/29/49/417642949.db2.gz FSCDOLBOAMIXAH-UHFFFAOYSA-N 0 0 311.777 0.812 10 0 DCAERN CC(C)(C)OC(=O)C[C@H]1CCCN(CCNS(C)(=O)=O)C1 ZINC000531868760 417646650 /nfs/dbraw/zinc/64/66/50/417646650.db2.gz DRNLGBVVUPOTJB-GFCCVEGCSA-N 0 0 320.455 0.979 10 0 DCAERN CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000577012476 417657493 /nfs/dbraw/zinc/65/74/93/417657493.db2.gz AUWZUTATVYCHEV-HNNXBMFYSA-N 0 0 304.350 0.940 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2nnnn2C)c1C ZINC000532077587 417658191 /nfs/dbraw/zinc/65/81/91/417658191.db2.gz QITXSTYLYBIMLY-UHFFFAOYSA-N 0 0 320.353 0.604 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000532165296 417665916 /nfs/dbraw/zinc/66/59/16/417665916.db2.gz SEGYABIGFQWPAL-JOYOIKCWSA-N 0 0 316.404 0.507 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)c1cnn(C)c1 ZINC000577162701 417669480 /nfs/dbraw/zinc/66/94/80/417669480.db2.gz MIAXZWQNIMFVMJ-MXWKQRLJSA-N 0 0 324.381 0.096 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000440513396 287404200 /nfs/dbraw/zinc/40/42/00/287404200.db2.gz MLDLVRZEBUIRHT-LLVKDONJSA-N 0 0 313.379 0.119 10 0 DCAERN CCC(C)(C)OCCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000457365617 417707112 /nfs/dbraw/zinc/70/71/12/417707112.db2.gz WXUKQNFAANFQIX-MRXNPFEDSA-N 0 0 310.394 0.921 10 0 DCAERN Cc1ccc(CCNC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000457996634 417714032 /nfs/dbraw/zinc/71/40/32/417714032.db2.gz LMRIJBUUNYFUNR-HNNXBMFYSA-N 0 0 317.393 0.798 10 0 DCAERN Cc1nc(C(C)C)ccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458130096 417722849 /nfs/dbraw/zinc/72/28/49/417722849.db2.gz FSPWNKBXICPUKT-GFCCVEGCSA-N 0 0 303.366 0.896 10 0 DCAERN CCN(CC)c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458123028 417723800 /nfs/dbraw/zinc/72/38/00/417723800.db2.gz IJVRIXPWNSUVSG-HNNXBMFYSA-N 0 0 317.393 0.915 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@H](O)Cn2ccnn2)c1C ZINC000458127043 417723990 /nfs/dbraw/zinc/72/39/90/417723990.db2.gz CSYVJMLOXDHORM-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1C ZINC000458127016 417724254 /nfs/dbraw/zinc/72/42/54/417724254.db2.gz LZKOVYKIHVFKHX-ZDUSSCGKSA-N 0 0 304.350 0.451 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458144162 417725219 /nfs/dbraw/zinc/72/52/19/417725219.db2.gz QDBCJBIZLRUPDI-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000628955186 417735649 /nfs/dbraw/zinc/73/56/49/417735649.db2.gz LLBXGWAZEPPBMZ-CYBMUJFWSA-N 0 0 303.362 0.844 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1ccc2oc(=O)n(C)c2c1)C(C)C ZINC000629053426 417739712 /nfs/dbraw/zinc/73/97/12/417739712.db2.gz DSOCQXQBQVYECF-CQSZACIVSA-N 0 0 319.361 0.908 10 0 DCAERN Cn1nccc1[C@@H]1OCCC[C@H]1CNS(=O)(=O)C1COC1 ZINC000657200565 417836256 /nfs/dbraw/zinc/83/62/56/417836256.db2.gz KQPUBVDOUIISAJ-GXFFZTMASA-N 0 0 315.395 0.206 10 0 DCAERN c1cn(-c2cc(N3CCO[C@H](Cn4ccnn4)C3)ncn2)cn1 ZINC000631376839 417865578 /nfs/dbraw/zinc/86/55/78/417865578.db2.gz FMHLLUPLRFLSMJ-LBPRGKRZSA-N 0 0 312.337 0.159 10 0 DCAERN Cn1ncc(NCC[C@H](O)C(F)F)c(Br)c1=O ZINC000631461652 417883715 /nfs/dbraw/zinc/88/37/15/417883715.db2.gz HUHWTMIVKNFLBT-LURJTMIESA-N 0 0 312.114 0.971 10 0 DCAERN Cc1csc2ncc(C(=O)N3C[C@H](F)C[C@@H]3CO)c(=O)n12 ZINC000444542313 287427154 /nfs/dbraw/zinc/42/71/54/287427154.db2.gz DBWVMPFXZPNCIP-RKDXNWHRSA-N 0 0 311.338 0.609 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cn1 ZINC000664269636 418107590 /nfs/dbraw/zinc/10/75/90/418107590.db2.gz QOLWUQFTRNEFAI-HTQZYQBOSA-N 0 0 322.184 0.463 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCc1ccccn1 ZINC000178604307 545896161 /nfs/dbraw/zinc/89/61/61/545896161.db2.gz AQZIEIRSYJSTGB-CYBMUJFWSA-N 0 0 311.407 0.554 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000487081347 287531154 /nfs/dbraw/zinc/53/11/54/287531154.db2.gz AHJTTXHXHMYUEZ-WDEREUQCSA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cncc(C)c1 ZINC000488156316 287546861 /nfs/dbraw/zinc/54/68/61/287546861.db2.gz BHJQEUHZUHEWOP-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)noc1C ZINC000488163203 287547160 /nfs/dbraw/zinc/54/71/60/287547160.db2.gz ONGHXSPVZAVLFU-RKDXNWHRSA-N 0 0 311.338 0.478 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCn1cccn1 ZINC000488244238 287547597 /nfs/dbraw/zinc/54/75/97/287547597.db2.gz BQDDJRCIOVYORL-RYUDHWBXSA-N 0 0 324.381 0.236 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCOC(C)C ZINC000488278090 287548125 /nfs/dbraw/zinc/54/81/25/287548125.db2.gz IIOHKIJYHKYZJX-MNOVXSKESA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000488292425 287548451 /nfs/dbraw/zinc/54/84/51/287548451.db2.gz IRHORBPSBOYCIN-GHMZBOCLSA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@H]1CCOC1 ZINC000488289555 287548496 /nfs/dbraw/zinc/54/84/96/287548496.db2.gz UGAHKXGKTMXSHC-WOPDTQHZSA-N 0 0 314.382 0.376 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CCC2CC2)CC1 ZINC000491913718 287560421 /nfs/dbraw/zinc/56/04/21/287560421.db2.gz NKXKAKCGFLQXCV-UHFFFAOYSA-N 0 0 318.439 0.686 10 0 DCAERN COc1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1CO ZINC000494816119 287581754 /nfs/dbraw/zinc/58/17/54/287581754.db2.gz OKWFSSFEOUUZJX-UHFFFAOYSA-N 0 0 321.333 0.458 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)[C@H]3CCCS3)C2)n1 ZINC000299738726 229373088 /nfs/dbraw/zinc/37/30/88/229373088.db2.gz FPSJUIAOLMUXEH-VHSXEESVSA-N 0 0 309.395 0.436 10 0 DCAERN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@H](O)C(N)=O)CC1 ZINC000299751234 229395498 /nfs/dbraw/zinc/39/54/98/229395498.db2.gz PZWIRJUGGRBWQE-CABCVRRESA-N 0 0 319.405 0.374 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000183173339 261116447 /nfs/dbraw/zinc/11/64/47/261116447.db2.gz UHOFIBDPQMEIQX-NSHDSACASA-N 0 0 319.365 0.477 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1C1CC1 ZINC000184257113 261118212 /nfs/dbraw/zinc/11/82/12/261118212.db2.gz FBAVXXFIUHEUCI-JTQLQIEISA-N 0 0 320.349 0.536 10 0 DCAERN CCC1(CC)CN(CCCNS(=O)(=O)CC)CC[S@]1=O ZINC000185223810 261119096 /nfs/dbraw/zinc/11/90/96/261119096.db2.gz RAFNHFVSUZONJB-LJQANCHMSA-N 0 0 324.512 0.939 10 0 DCAERN NC(=O)c1coc(CNC(=O)CNC(=O)Cc2ccccc2)c1 ZINC000186689462 261121887 /nfs/dbraw/zinc/12/18/87/261121887.db2.gz YKUYTLKKYSAHKO-UHFFFAOYSA-N 0 0 315.329 0.354 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000187879022 261124657 /nfs/dbraw/zinc/12/46/57/261124657.db2.gz CTDXAXCAEDAGOC-NWDGAFQWSA-N 0 0 306.428 0.541 10 0 DCAERN CCOC(=O)[C@](C)(CNC(=O)CC(=O)NC)c1ccccc1 ZINC000189164953 261130682 /nfs/dbraw/zinc/13/06/82/261130682.db2.gz PNKDXWLAHHDCTF-MRXNPFEDSA-N 0 0 306.362 0.760 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@H](CO)O1 ZINC000189202794 261130749 /nfs/dbraw/zinc/13/07/49/261130749.db2.gz VUGYXSGSUZQDFS-ZWNOBZJWSA-N 0 0 312.341 0.609 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000189879173 261133416 /nfs/dbraw/zinc/13/34/16/261133416.db2.gz OBTAZHCKILIHIC-USWWRNFRSA-N 0 0 309.370 0.213 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000189778315 261134041 /nfs/dbraw/zinc/13/40/41/261134041.db2.gz YOKWKPZAIMGRLO-MJVIPROJSA-N 0 0 324.425 0.759 10 0 DCAERN C[C@@H]1CSCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000191217411 261136506 /nfs/dbraw/zinc/13/65/06/261136506.db2.gz VRPYDLUOYVLSOB-JTQLQIEISA-N 0 0 321.406 0.342 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC(NC(C)=O)C2)ccc1C ZINC000191343498 261137053 /nfs/dbraw/zinc/13/70/53/261137053.db2.gz YBUFTOIOXDYDHH-UHFFFAOYSA-N 0 0 303.362 0.843 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192899824 261139756 /nfs/dbraw/zinc/13/97/56/261139756.db2.gz VXBOYBHARHOTIS-ZDUSSCGKSA-N 0 0 314.345 0.843 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192899812 261139820 /nfs/dbraw/zinc/13/98/20/261139820.db2.gz VXBOYBHARHOTIS-CYBMUJFWSA-N 0 0 314.345 0.843 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000193164087 261140850 /nfs/dbraw/zinc/14/08/50/261140850.db2.gz YGYPOULEQZWRCB-UHFFFAOYSA-N 0 0 306.362 0.937 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCOC(F)F)C[C@@H](C)O1 ZINC000193968750 261144024 /nfs/dbraw/zinc/14/40/24/261144024.db2.gz HHCCAWGHDIIUEE-RKDXNWHRSA-N 0 0 302.343 0.559 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)c2cccc(C(N)=O)c2)cnn1C ZINC000193877123 261144201 /nfs/dbraw/zinc/14/42/01/261144201.db2.gz NZEDAZKURHOIHV-VIFPVBQESA-N 0 0 322.390 0.867 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000194609887 261146470 /nfs/dbraw/zinc/14/64/70/261146470.db2.gz XVDOUBGZKFNICE-WCQYABFASA-N 0 0 306.366 0.268 10 0 DCAERN CCN1CCN(CC(=O)Nc2ccc3cc[nH]c3c2)C(=O)C1=O ZINC000194833253 261148282 /nfs/dbraw/zinc/14/82/82/261148282.db2.gz KIEGGNIXTQJQNS-UHFFFAOYSA-N 0 0 314.345 0.797 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCOC[C@H]3C)CC2)ncn1 ZINC000194878250 261149395 /nfs/dbraw/zinc/14/93/95/261149395.db2.gz LAQJEQVKQUBLBQ-CHWSQXEVSA-N 0 0 320.393 0.806 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)NCCS(=O)(=O)NC(C)C)n1 ZINC000195228061 261150498 /nfs/dbraw/zinc/15/04/98/261150498.db2.gz HCJKXYYEJNIJGS-LBPRGKRZSA-N 0 0 316.427 0.505 10 0 DCAERN CCOC(=O)[C@@]1(C(C)C)CCN(c2cncc(C(N)=O)n2)C1 ZINC000302839652 261173379 /nfs/dbraw/zinc/17/33/79/261173379.db2.gz ZKDYOTTWYWFPEJ-HNNXBMFYSA-N 0 0 306.366 0.991 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1F ZINC000354417521 261216408 /nfs/dbraw/zinc/21/64/08/261216408.db2.gz VTLPEOMIAZPXPF-UHFFFAOYSA-N 0 0 321.308 0.315 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000355714374 261359260 /nfs/dbraw/zinc/35/92/60/261359260.db2.gz CVTDZDHWIDKUQK-UMSGYPCISA-N 0 0 310.394 0.554 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000356031702 261384751 /nfs/dbraw/zinc/38/47/51/261384751.db2.gz CQACIJKMJAPOBC-BPUTZDHNSA-N 0 0 318.373 0.568 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccn(C)n2)C[C@@H](C)S1(=O)=O ZINC000357897737 261598541 /nfs/dbraw/zinc/59/85/41/261598541.db2.gz XCTSAASDAZQOGM-NXEZZACHSA-N 0 0 300.384 0.137 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N[C@@H]2CC[C@H](OC)C2)c1 ZINC000358078296 261627506 /nfs/dbraw/zinc/62/75/06/261627506.db2.gz PVDJRVZGVZTRNN-OCCSQVGLSA-N 0 0 305.378 0.944 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358352947 261660181 /nfs/dbraw/zinc/66/01/81/261660181.db2.gz NNRGDRWLNLLPGO-LBPRGKRZSA-N 0 0 312.391 0.343 10 0 DCAERN Cc1cc(C)n2c(nnc2S(=O)(=O)Cc2ccnc(C)n2)n1 ZINC000359161735 261724759 /nfs/dbraw/zinc/72/47/59/261724759.db2.gz DBLJPOMUMNNRJY-UHFFFAOYSA-N 0 0 318.362 0.813 10 0 DCAERN O=C(NCCc1nnc[nH]1)C(=O)Nc1cccc2c1OCCC2 ZINC000359376566 261741597 /nfs/dbraw/zinc/74/15/97/261741597.db2.gz WHHZGQFTPAUEMU-UHFFFAOYSA-N 0 0 315.333 0.427 10 0 DCAERN O=C(CN1CCCS1(=O)=O)Nc1cccc(CCCO)c1 ZINC000359491138 261750330 /nfs/dbraw/zinc/75/03/30/261750330.db2.gz GKZIQOKBNPDPCA-UHFFFAOYSA-N 0 0 312.391 0.586 10 0 DCAERN CN(CCCOc1ccc(F)cc1)C(=O)CN1CC(=O)N(C)C1 ZINC000360469564 261835474 /nfs/dbraw/zinc/83/54/74/261835474.db2.gz PMOAFRWIMPILAZ-UHFFFAOYSA-N 0 0 323.368 0.785 10 0 DCAERN CN1CN(CCCS(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000360493084 261838402 /nfs/dbraw/zinc/83/84/02/261838402.db2.gz WJBIEKXLHCJPCK-UHFFFAOYSA-N 0 0 300.355 0.721 10 0 DCAERN COC1(C)CCN(C(=O)[C@](C)(O)Cn2ccccc2=O)CC1 ZINC000360941702 261888431 /nfs/dbraw/zinc/88/84/31/261888431.db2.gz FYNCGRNYCBOREJ-MRXNPFEDSA-N 0 0 308.378 0.627 10 0 DCAERN C[S@@](=O)CCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361210256 261905491 /nfs/dbraw/zinc/90/54/91/261905491.db2.gz XFQLSPLNQQJSCM-WVDJIFEKSA-N 0 0 316.345 0.854 10 0 DCAERN CC[C@@H](CCO)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361456907 261928103 /nfs/dbraw/zinc/92/81/03/261928103.db2.gz KENKBRMOAWWHMM-ZDUSSCGKSA-N 0 0 322.409 0.878 10 0 DCAERN CC(C)OC(=O)CCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361705821 261952902 /nfs/dbraw/zinc/95/29/02/261952902.db2.gz NIDMDOCENCMXDD-UHFFFAOYSA-N 0 0 324.381 0.940 10 0 DCAERN COC[C@](C)(NC(=O)CCN1C(=O)CCC1=O)C(F)(F)F ZINC000362204674 262009235 /nfs/dbraw/zinc/00/92/35/262009235.db2.gz OWCGXZVHBWPGHD-NSHDSACASA-N 0 0 310.272 0.609 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000362419646 262032495 /nfs/dbraw/zinc/03/24/95/262032495.db2.gz CUSZPOUWXATURK-CSMYWGQOSA-N 0 0 319.357 0.767 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC1CCCC1 ZINC000362467350 262038500 /nfs/dbraw/zinc/03/85/00/262038500.db2.gz RQFCJFORFVXLSD-QWRGUYRKSA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 ZINC000362464451 262038646 /nfs/dbraw/zinc/03/86/46/262038646.db2.gz KKICMWXZIKHREN-IUCAKERBSA-N 0 0 323.349 0.403 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)NCc1ccn(C)n1 ZINC000362778347 262072202 /nfs/dbraw/zinc/07/22/02/262072202.db2.gz AKCUXSHAFOVDEM-QWHCGFSZSA-N 0 0 312.370 0.040 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC(C)(C)OC[C@H]2C)C1 ZINC000362837151 262078840 /nfs/dbraw/zinc/07/88/40/262078840.db2.gz ANMANZSEDGGCAO-VXGBXAGGSA-N 0 0 312.414 0.999 10 0 DCAERN CSCCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000363308976 262111437 /nfs/dbraw/zinc/11/14/37/262111437.db2.gz LRNJKPWFZLEEJK-LBPRGKRZSA-N 0 0 315.439 0.819 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000363576353 262122076 /nfs/dbraw/zinc/12/20/76/262122076.db2.gz GOSOGDMEMKHWML-SCUASFONSA-N 0 0 307.394 0.370 10 0 DCAERN O=C(Nc1cccc(Cl)c1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000363791824 262130390 /nfs/dbraw/zinc/13/03/90/262130390.db2.gz DTBHYYQUZKNUIO-CYBMUJFWSA-N 0 0 323.780 0.822 10 0 DCAERN O=C(Cc1c[nH]c2ncccc12)N1CCN2CCOC[C@@H]2C1 ZINC000363826177 262132907 /nfs/dbraw/zinc/13/29/07/262132907.db2.gz SCZBGFUBAXKSFO-ZDUSSCGKSA-N 0 0 300.362 0.648 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363868811 262134802 /nfs/dbraw/zinc/13/48/02/262134802.db2.gz OQYXIYWBVIIVPJ-AWEZNQCLSA-N 0 0 304.346 0.630 10 0 DCAERN CCCNS(=O)(=O)NCc1nn(C)cc1Br ZINC000393627087 262161040 /nfs/dbraw/zinc/16/10/40/262161040.db2.gz RTFPSQOZSOSESO-UHFFFAOYSA-N 0 0 311.205 0.517 10 0 DCAERN CC(C)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000041241646 270933863 /nfs/dbraw/zinc/93/38/63/270933863.db2.gz OTQCRFFDBMLDEX-LBPRGKRZSA-N 0 0 307.394 0.324 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358558359 271058419 /nfs/dbraw/zinc/05/84/19/271058419.db2.gz NHOVPFWCIKICMF-AWEZNQCLSA-N 0 0 305.378 0.864 10 0 DCAERN CCCCOCCNC(=O)CS(=O)(=O)Cc1ncccn1 ZINC000358741829 271066547 /nfs/dbraw/zinc/06/65/47/271066547.db2.gz KJJBPBPHTJIZPA-UHFFFAOYSA-N 0 0 315.395 0.324 10 0 DCAERN COC(=O)COCC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000359139793 271098467 /nfs/dbraw/zinc/09/84/67/271098467.db2.gz FSKFVWXFKIBPHK-SNVBAGLBSA-N 0 0 309.322 0.453 10 0 DCAERN Cc1nnc(N2CCN(c3ccnc(N(C)C)n3)CC2)nc1C ZINC000359599915 271129200 /nfs/dbraw/zinc/12/92/00/271129200.db2.gz DSJZUSLIYNJGMF-UHFFFAOYSA-N 0 0 314.397 0.671 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nncn1C ZINC000359765026 271140713 /nfs/dbraw/zinc/14/07/13/271140713.db2.gz MZZQSBXVPAVVPM-NSHDSACASA-N 0 0 301.350 0.592 10 0 DCAERN Cn1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(-c2ccoc2)n1 ZINC000363769407 271204449 /nfs/dbraw/zinc/20/44/49/271204449.db2.gz YHYUGGKYZCTMNX-CYBMUJFWSA-N 0 0 316.361 0.837 10 0 DCAERN CC[C@H]1CCCCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000363945206 271208284 /nfs/dbraw/zinc/20/82/84/271208284.db2.gz BIXVTBDGPRDSRX-RWMBFGLXSA-N 0 0 318.439 0.826 10 0 DCAERN C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000398790398 271218628 /nfs/dbraw/zinc/21/86/28/271218628.db2.gz RQEYILOEKKTDCF-DTWKUNHWSA-N 0 0 307.803 0.713 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399062633 271218738 /nfs/dbraw/zinc/21/87/38/271218738.db2.gz JNMBGDJQZAXEGH-GUBZILKMSA-N 0 0 319.814 0.855 10 0 DCAERN COc1cc(C)c(C(=O)NCCN2C(=O)CCC2=O)cc1OC ZINC000445999819 271753194 /nfs/dbraw/zinc/75/31/94/271753194.db2.gz YMLPQELULITFRR-UHFFFAOYSA-N 0 0 320.345 0.891 10 0 DCAERN Cc1cc(OCC(=O)NC[C@@H](O)Cn2ccnn2)ccc1Cl ZINC000458125445 271942599 /nfs/dbraw/zinc/94/25/99/271942599.db2.gz LFVBLLVISLWRLG-LLVKDONJSA-N 0 0 324.768 0.796 10 0 DCAERN CCSc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cn1 ZINC000458125519 271942874 /nfs/dbraw/zinc/94/28/74/271942874.db2.gz BMGJHMBWJZUBHH-LLVKDONJSA-N 0 0 307.379 0.576 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)NC[C@H](O)Cn1ccnn1)C(F)(F)F ZINC000459549165 272001020 /nfs/dbraw/zinc/00/10/20/272001020.db2.gz YQVLZGJXTGTQEW-LPEHRKFASA-N 0 0 323.319 0.915 10 0 DCAERN CC(C)N(C)C(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000459813707 272011952 /nfs/dbraw/zinc/01/19/52/272011952.db2.gz LKGSRHHPKRVFMN-UHFFFAOYSA-N 0 0 308.357 0.736 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000461279070 272025987 /nfs/dbraw/zinc/02/59/87/272025987.db2.gz RRVWPEMIJDAZHP-GRYCIOLGSA-N 0 0 306.428 0.586 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000461267367 272026047 /nfs/dbraw/zinc/02/60/47/272026047.db2.gz BVFUYHKPAHMEKQ-VWYCJHECSA-N 0 0 311.382 0.779 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000466499867 272027163 /nfs/dbraw/zinc/02/71/63/272027163.db2.gz QVVDJMDTHVHSDG-DCAQKATOSA-N 0 0 307.416 0.085 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccco1 ZINC000487375042 272041071 /nfs/dbraw/zinc/04/10/71/272041071.db2.gz YOTHPPYNZCEXQP-RKDXNWHRSA-N 0 0 318.351 0.014 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[nH]n1 ZINC000487558611 272041168 /nfs/dbraw/zinc/04/11/68/272041168.db2.gz LDHIGIIJMUIYAE-ZWNOBZJWSA-N 0 0 307.398 0.958 10 0 DCAERN Cn1cnc(CNC(=O)Nc2ccc3ccc(=O)n(C)c3c2)n1 ZINC000489077532 272056068 /nfs/dbraw/zinc/05/60/68/272056068.db2.gz GSPDRISRGPXDGV-UHFFFAOYSA-N 0 0 312.333 0.989 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)c2cccn2C)CC1 ZINC000494452003 272222407 /nfs/dbraw/zinc/22/24/07/272222407.db2.gz IEEGUOOYELVWSK-UHFFFAOYSA-N 0 0 307.394 0.777 10 0 DCAERN CCCCCNC(=O)CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494485723 272223380 /nfs/dbraw/zinc/22/33/80/272223380.db2.gz SGXZXKGJEJBNBB-UHFFFAOYSA-N 0 0 313.442 0.862 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCCC(F)(F)C2)O1 ZINC000495034314 272236714 /nfs/dbraw/zinc/23/67/14/272236714.db2.gz BFCOFSOFXXMBHC-GUBZILKMSA-N 0 0 305.325 0.896 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](CC)COC ZINC000495179365 272240976 /nfs/dbraw/zinc/24/09/76/272240976.db2.gz BONNVCIYWDEAJK-OUAUKWLOSA-N 0 0 317.386 0.167 10 0 DCAERN COC(CN(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)OC ZINC000496142493 272295563 /nfs/dbraw/zinc/29/55/63/272295563.db2.gz RIQHUAVMQYUQDO-QWRGUYRKSA-N 0 0 304.387 0.517 10 0 DCAERN Cc1nccc(CN2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000507080665 272394784 /nfs/dbraw/zinc/39/47/84/272394784.db2.gz CNSPKOINSQDOLG-UHFFFAOYSA-N 0 0 324.392 0.784 10 0 DCAERN Cc1ccccc1CC(=O)N1CCN(c2nnnn2C)CC1 ZINC000521664081 272538584 /nfs/dbraw/zinc/53/85/84/272538584.db2.gz YFSJXXZRZIONHT-UHFFFAOYSA-N 0 0 300.366 0.410 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC000527295663 272610125 /nfs/dbraw/zinc/61/01/25/272610125.db2.gz ZQFULMDHXDWHFV-LLVKDONJSA-N 0 0 302.421 0.749 10 0 DCAERN CN(Cc1nnnn1C)C(=O)CCc1nc2ccccc2o1 ZINC000531825113 272770794 /nfs/dbraw/zinc/77/07/94/272770794.db2.gz VOOZRGZYTBHHPR-UHFFFAOYSA-N 0 0 300.322 0.943 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000532063607 272776999 /nfs/dbraw/zinc/77/69/99/272776999.db2.gz WVSNHJOOVGDRIB-MVWJERBFSA-N 0 0 308.386 0.555 10 0 DCAERN CN(Cc1nnnn1C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 ZINC000532324065 272784574 /nfs/dbraw/zinc/78/45/74/272784574.db2.gz LSGFMDRHUUHQSR-UHFFFAOYSA-N 0 0 317.357 0.447 10 0 DCAERN COC[C@@](C)(O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000532754380 272794249 /nfs/dbraw/zinc/79/42/49/272794249.db2.gz QDIKOBYKJGIMLK-LLVKDONJSA-N 0 0 309.288 0.795 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000515179367 287649954 /nfs/dbraw/zinc/64/99/54/287649954.db2.gz JZHMZDZCPQOWLM-CBAPKCEASA-N 0 0 301.286 0.089 10 0 DCAERN Cc1cc(C)cc(OCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000535071977 287827831 /nfs/dbraw/zinc/82/78/31/287827831.db2.gz RLHYPERSWBVUCJ-NSHDSACASA-N 0 0 300.380 0.475 10 0 DCAERN Cc1cccn2cc(CC(=O)N3CC[C@H](NC(N)=O)C3)nc12 ZINC000535712368 287837377 /nfs/dbraw/zinc/83/73/77/287837377.db2.gz QJYTWRKONQXEBO-NSHDSACASA-N 0 0 301.350 0.454 10 0 DCAERN Cn1ncn(CC(=O)NCCc2cccc3cccnc32)c1=O ZINC000540970613 287913525 /nfs/dbraw/zinc/91/35/25/287913525.db2.gz WMOMEPQJWHOFEJ-UHFFFAOYSA-N 0 0 311.345 0.489 10 0 DCAERN CN1C(=O)C[C@@H](N[C@H]2CCC(=O)N(C)C2=O)c2ccccc21 ZINC000328685352 277012978 /nfs/dbraw/zinc/01/29/78/277012978.db2.gz XINHAHDWEPRYPF-NWDGAFQWSA-N 0 0 301.346 0.831 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)C1 ZINC000191480397 277026229 /nfs/dbraw/zinc/02/62/29/277026229.db2.gz WBZFSMBDACUGQD-INIZCTEOSA-N 0 0 315.373 0.307 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000177537132 277163067 /nfs/dbraw/zinc/16/30/67/277163067.db2.gz MXWRYRZZBPALCN-WDEREUQCSA-N 0 0 320.397 0.292 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)CCC1=O ZINC000120481178 277202891 /nfs/dbraw/zinc/20/28/91/277202891.db2.gz YHOMLDUENYYSGX-SECBINFHSA-N 0 0 311.288 0.640 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCS1(=O)=O ZINC000248949494 287946290 /nfs/dbraw/zinc/94/62/90/287946290.db2.gz ZQKHRKCKMIFLQU-KGYLQXTDSA-N 0 0 316.423 0.773 10 0 DCAERN COc1c(CNC[C@@H]2CCCCS2(=O)=O)c(C)nn1C ZINC000544176142 287972006 /nfs/dbraw/zinc/97/20/06/287972006.db2.gz JGDLLPWHUHIETI-NSHDSACASA-N 0 0 301.412 0.794 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1nnc(C2CCC2)n1C)C(C)C ZINC000544400362 287974872 /nfs/dbraw/zinc/97/48/72/287974872.db2.gz VFCQMROOIVQYKE-ZDUSSCGKSA-N 0 0 307.398 0.860 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)CC(=O)N1C ZINC000282170809 277833332 /nfs/dbraw/zinc/83/33/32/277833332.db2.gz KQLWRXFXBVBQCL-YPMHNXCESA-N 0 0 303.362 0.862 10 0 DCAERN CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)N1CCC[C@H]1C ZINC000545318914 287995979 /nfs/dbraw/zinc/99/59/79/287995979.db2.gz JLGSPIVXXAIGFB-MNOVXSKESA-N 0 0 322.452 0.696 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000376881662 277942020 /nfs/dbraw/zinc/94/20/20/277942020.db2.gz HHDPJOMPZAZQQC-UHFFFAOYSA-N 0 0 309.366 0.679 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000408054555 278018044 /nfs/dbraw/zinc/01/80/44/278018044.db2.gz SHJAKJJZLMOZRN-ZFWWWQNUSA-N 0 0 314.451 0.960 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181391664 278061690 /nfs/dbraw/zinc/06/16/90/278061690.db2.gz LBRYYXWPVDUTBC-GHMZBOCLSA-N 0 0 309.395 0.780 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000329311589 278068631 /nfs/dbraw/zinc/06/86/31/278068631.db2.gz CRIQSWVLDAOAEP-FQLMCAECSA-N 0 0 308.378 0.138 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172002976 278069026 /nfs/dbraw/zinc/06/90/26/278069026.db2.gz RDHSQNNCVLPOCL-FIXISWKDSA-N 0 0 314.345 0.938 10 0 DCAERN CC(=O)NC1(C(=O)N2CCN3CCOC[C@H]3C2)CCCCC1 ZINC000374971422 278080182 /nfs/dbraw/zinc/08/01/82/278080182.db2.gz JCFGKEWKCRMMCO-CQSZACIVSA-N 0 0 309.410 0.368 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H](CO)Cc1ccccc1)N1CCOCC1 ZINC000123155993 278275262 /nfs/dbraw/zinc/27/52/62/278275262.db2.gz AWGYCJMVHJXXLP-GOEBONIOSA-N 0 0 321.421 0.610 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249971475 278301654 /nfs/dbraw/zinc/30/16/54/278301654.db2.gz KLNPWTIKPJDFAD-KKUMJFAQSA-N 0 0 314.426 0.486 10 0 DCAERN CC(C)OC[C@@H]1CN(C(=O)c2cccc3ncnn32)CCO1 ZINC000547462809 288048815 /nfs/dbraw/zinc/04/88/15/288048815.db2.gz SMJWFLYTBDPXOG-LBPRGKRZSA-N 0 0 304.350 0.995 10 0 DCAERN N#Cc1cnccc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000547503570 288053290 /nfs/dbraw/zinc/05/32/90/288053290.db2.gz YQZALCVMMWJTCJ-UHFFFAOYSA-N 0 0 313.361 0.224 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1c[nH]nc1-c1ccsc1 ZINC000547715369 288071457 /nfs/dbraw/zinc/07/14/57/288071457.db2.gz JZSQNWAYPYLUCA-UHFFFAOYSA-N 0 0 303.351 0.934 10 0 DCAERN COc1cccnc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000547790728 288079507 /nfs/dbraw/zinc/07/95/07/288079507.db2.gz BFGFFYOVHPMQAV-SNVBAGLBSA-N 0 0 308.338 0.195 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)C[C@H](C)O1 ZINC000329280844 278789754 /nfs/dbraw/zinc/78/97/54/278789754.db2.gz DUOAHCVLCOXORT-GRYCIOLGSA-N 0 0 314.411 0.901 10 0 DCAERN COc1cc(C(=O)NCc2nnc(C3CCC3)n2C)nn1C ZINC000547863361 288085891 /nfs/dbraw/zinc/08/58/91/288085891.db2.gz IAFSKHNJIATWJD-UHFFFAOYSA-N 0 0 304.354 0.755 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000184627918 278990447 /nfs/dbraw/zinc/99/04/47/278990447.db2.gz OQMHQMYULSJISL-ZDUSSCGKSA-N 0 0 320.455 0.523 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCc4nc[nH]c43)CCO2)[nH]1 ZINC000548091796 288110730 /nfs/dbraw/zinc/11/07/30/288110730.db2.gz BIYSJRRRZPPVGR-PWSUYJOCSA-N 0 0 316.365 0.856 10 0 DCAERN COc1cc(C(=O)NCc2cccc(N3CCOCC3)n2)on1 ZINC000548173413 288118130 /nfs/dbraw/zinc/11/81/30/288118130.db2.gz YUEGVCMSIJGRPN-UHFFFAOYSA-N 0 0 318.333 0.845 10 0 DCAERN Cn1c(=O)c(Br)c(NCC(F)(F)F)n(C)c1=O ZINC000098179817 279301600 /nfs/dbraw/zinc/30/16/00/279301600.db2.gz NTTJMFUUABLCJZ-UHFFFAOYSA-N 0 0 316.077 0.821 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CCOC)C1CC1)CC2 ZINC000548430856 288141782 /nfs/dbraw/zinc/14/17/82/288141782.db2.gz BHTKITVZRBBQAT-LLVKDONJSA-N 0 0 307.398 0.976 10 0 DCAERN C[C@H]1CN(C(=O)NC2CCC(O)CC2)C[C@@H]1N1CCOCC1 ZINC000177297439 279794822 /nfs/dbraw/zinc/79/48/22/279794822.db2.gz KFROGPQWRKHLSA-PPWQZUPISA-N 0 0 311.426 0.652 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000548719655 288170585 /nfs/dbraw/zinc/17/05/85/288170585.db2.gz DENMTOVKOGUUDP-VBQJREDUSA-N 0 0 320.389 0.484 10 0 DCAERN CO[C@H]1CCOc2c(NC(=O)CN3CCOCC3=O)cccc21 ZINC000548728193 288171269 /nfs/dbraw/zinc/17/12/69/288171269.db2.gz AJVINSPWVWJRTN-ZDUSSCGKSA-N 0 0 320.345 0.954 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408387804 279941386 /nfs/dbraw/zinc/94/13/86/279941386.db2.gz SMDFTTOTRRUOBQ-SECBINFHSA-N 0 0 320.802 0.219 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CCN1C[C@H](O)C(F)(F)F ZINC000248391192 288184089 /nfs/dbraw/zinc/18/40/89/288184089.db2.gz JAKLJJDGFMNKQX-HLTSFMKQSA-N 0 0 324.265 0.839 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCN[C@H](c2ccncc2)C1 ZINC000548887152 288185072 /nfs/dbraw/zinc/18/50/72/288185072.db2.gz VWPABDQWCUVFKM-ZDUSSCGKSA-N 0 0 308.345 0.911 10 0 DCAERN CN(CC(=O)OC(C)(C)C)C[C@H](O)COC[C@H]1CCCO1 ZINC000548909118 288186602 /nfs/dbraw/zinc/18/66/02/288186602.db2.gz UBFRUBPYTFBQIQ-QWHCGFSZSA-N 0 0 303.399 0.816 10 0 DCAERN Cn1cc(-c2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C)cn1 ZINC000548923917 288187512 /nfs/dbraw/zinc/18/75/12/288187512.db2.gz WAAQDQOPMJQFQE-OAHLLOKOSA-N 0 0 315.381 0.322 10 0 DCAERN CCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000073135013 280016900 /nfs/dbraw/zinc/01/69/00/280016900.db2.gz HQQNGNIVJMCDBT-MRVPVSSYSA-N 0 0 304.393 0.435 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CCO[C@@H]1C)N1CCCS1(=O)=O ZINC000129818231 280180405 /nfs/dbraw/zinc/18/04/05/280180405.db2.gz FTKNMDBDZQSPAO-IJLUTSLNSA-N 0 0 304.412 0.340 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000551215292 288225206 /nfs/dbraw/zinc/22/52/06/288225206.db2.gz JWWFWLKDIMLFTF-ZIAGYGMSSA-N 0 0 318.373 0.921 10 0 DCAERN COc1cnc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nc1 ZINC000551196912 288224982 /nfs/dbraw/zinc/22/49/82/288224982.db2.gz CTQFMFHABZLGRM-YPMHNXCESA-N 0 0 306.366 0.278 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CCC[C@H]4C(=O)NC[C@H]43)n2)n1 ZINC000225576110 280437727 /nfs/dbraw/zinc/43/77/27/280437727.db2.gz XYMBVWOAEOFDJJ-CHWSQXEVSA-N 0 0 312.377 0.994 10 0 DCAERN Cc1ncc(CS(=O)(=O)CC(=O)N2CCC[C@@H](C)C2)cn1 ZINC000552030604 288261021 /nfs/dbraw/zinc/26/10/21/288261021.db2.gz OLPHTECFAXIKNC-LLVKDONJSA-N 0 0 311.407 0.958 10 0 DCAERN Cn1cnc(CNC(=O)NCC[C@H]2COc3ccccc3O2)n1 ZINC000552061134 288262916 /nfs/dbraw/zinc/26/29/16/288262916.db2.gz KKWOULLBWUJBMU-NSHDSACASA-N 0 0 317.349 0.844 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000552108707 288265069 /nfs/dbraw/zinc/26/50/69/288265069.db2.gz TUSMSMXIGLPOFG-LBPRGKRZSA-N 0 0 320.393 0.805 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)c2cn3cccnc3n2)CCCC1 ZINC000553571773 288303274 /nfs/dbraw/zinc/30/32/74/288303274.db2.gz YATIVMKSVXJWHW-UHFFFAOYSA-N 0 0 322.390 0.817 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cn1 ZINC000554529873 288326697 /nfs/dbraw/zinc/32/66/97/288326697.db2.gz IRGZWCVWKCMFOJ-SMDDNHRTSA-N 0 0 311.407 0.970 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000554702979 288335926 /nfs/dbraw/zinc/33/59/26/288335926.db2.gz UPSNNVJUMYRCRT-AAEUAGOBSA-N 0 0 324.425 0.601 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ncn(C)n1 ZINC000554733503 288336552 /nfs/dbraw/zinc/33/65/52/288336552.db2.gz HKBZGEIBCILNJX-KOLCDFICSA-N 0 0 303.370 0.986 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)Nc2nccc(N(C)C)n2)C1 ZINC000555753676 288361387 /nfs/dbraw/zinc/36/13/87/288361387.db2.gz KRTJKIQABZNANW-GFCCVEGCSA-N 0 0 320.397 0.923 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)s1 ZINC000556667414 288382243 /nfs/dbraw/zinc/38/22/43/288382243.db2.gz CQCYVIYPGZHBMS-KOLCDFICSA-N 0 0 311.407 0.687 10 0 DCAERN Cc1cnc(COCC(=O)N2CCSC[C@@H]2CCO)o1 ZINC000560610099 288513304 /nfs/dbraw/zinc/51/33/04/288513304.db2.gz QMJGCNGNLMGBAL-NSHDSACASA-N 0 0 300.380 0.826 10 0 DCAERN COCCOCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560986201 288522993 /nfs/dbraw/zinc/52/29/93/288522993.db2.gz KVCRCNNAIJUFTA-UHFFFAOYSA-N 0 0 306.322 0.052 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(C)(C(N)=O)C1 ZINC000563068181 288623917 /nfs/dbraw/zinc/62/39/17/288623917.db2.gz KXYMMYXZAGBQSX-CQSZACIVSA-N 0 0 317.389 0.110 10 0 DCAERN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC(O)(CO)C2)cc1 ZINC000564830140 288773514 /nfs/dbraw/zinc/77/35/14/288773514.db2.gz BSQLSEVKKVUNFS-UHFFFAOYSA-N 0 0 320.389 0.280 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)NCCOCC1CCC1 ZINC000565691229 288871285 /nfs/dbraw/zinc/87/12/85/288871285.db2.gz PKFWLHWUXXKWGQ-UHFFFAOYSA-N 0 0 317.349 0.375 10 0 DCAERN CN(C)S(=O)(=O)NCCNC(=O)NC1CCC(C)(C)CC1 ZINC000408404797 289260939 /nfs/dbraw/zinc/26/09/39/289260939.db2.gz APLLFRSVIDIOKF-UHFFFAOYSA-N 0 0 320.459 0.650 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O)N1CCOCC1 ZINC000408063919 289291183 /nfs/dbraw/zinc/29/11/83/289291183.db2.gz JXGKXHCPFFVCQL-KBUPBQIOSA-N 0 0 312.410 0.096 10 0 DCAERN CN1C(=O)CC[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333495249 289795979 /nfs/dbraw/zinc/79/59/79/289795979.db2.gz RLEGPQUMCOKBOJ-LMLFDSFASA-N 0 0 300.380 0.242 10 0 DCAERN C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)N1CCCC[C@@H]1C ZINC000370527416 289907538 /nfs/dbraw/zinc/90/75/38/289907538.db2.gz IWTIEQCNKCTUOW-MKBNYLNASA-N 0 0 309.410 0.808 10 0 DCAERN CN1C[C@@H](NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CCC1=O ZINC000150734689 290276618 /nfs/dbraw/zinc/27/66/18/290276618.db2.gz UPRXOMVBBBKIJO-SJCJKPOMSA-N 0 0 316.357 0.895 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)CC1=O ZINC000408051346 290299462 /nfs/dbraw/zinc/29/94/62/290299462.db2.gz HKFCXCICWZQJGS-AAVRWANBSA-N 0 0 310.394 0.243 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1COc2ccccc2C1 ZINC000179244056 290561938 /nfs/dbraw/zinc/56/19/38/290561938.db2.gz YBBBEDSRGRPVAQ-OLZOCXBDSA-N 0 0 303.362 0.910 10 0 DCAERN COC[C@H](C)CNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000176400811 293004694 /nfs/dbraw/zinc/00/46/94/293004694.db2.gz YSKFDVUFRNJSSS-VOMCLLRMSA-N 0 0 306.428 0.924 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000373635496 293471419 /nfs/dbraw/zinc/47/14/19/293471419.db2.gz BVFUYHKPAHMEKQ-DCAQKATOSA-N 0 0 311.382 0.779 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)CNC(=O)C(C)(C)C)[C@H]2C1 ZINC000126337381 293794918 /nfs/dbraw/zinc/79/49/18/293794918.db2.gz LUQHUJAGAWXLPL-FRRDWIJNSA-N 0 0 312.410 0.944 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000367744397 294018837 /nfs/dbraw/zinc/01/88/37/294018837.db2.gz ARRGWVNVICCFNC-LDMBFOFVSA-N 0 0 313.398 0.330 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3)C2)C[C@@H](C)O1 ZINC000152649865 297054993 /nfs/dbraw/zinc/05/49/93/297054993.db2.gz PSHQADVRRMIPGN-UPJWGTAASA-N 0 0 304.412 0.453 10 0 DCAERN C[C@@H]1CN([C@H](CNS(N)(=O)=O)c2cccs2)CCO1 ZINC000248358273 297073874 /nfs/dbraw/zinc/07/38/74/297073874.db2.gz QPNYAHRSPFNPSV-NXEZZACHSA-N 0 0 305.425 0.303 10 0 DCAERN Cn1ccnc(NC(=O)[C@H]2CCCN2c2nccs2)c1=O ZINC000129372968 294401960 /nfs/dbraw/zinc/40/19/60/294401960.db2.gz FAUJIBBEXSUNHU-SECBINFHSA-N 0 0 305.363 0.844 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365135273 294644102 /nfs/dbraw/zinc/64/41/02/294644102.db2.gz SDCWLOIGLZBBDV-NOOOWODRSA-N 0 0 304.412 0.292 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCOC4(CCOCC4)C3)cc21 ZINC000185016661 294646515 /nfs/dbraw/zinc/64/65/15/294646515.db2.gz NGEVUGWGKLMCAK-UHFFFAOYSA-N 0 0 316.361 0.990 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC2(C)C)N(S(C)(=O)=O)C1 ZINC000366156410 294648243 /nfs/dbraw/zinc/64/82/43/294648243.db2.gz JXKYDPHPSQRNSR-QJPTWQEYSA-N 0 0 318.439 0.730 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246877931 295107218 /nfs/dbraw/zinc/10/72/18/295107218.db2.gz ATISMYDKVDWVSL-OCCSQVGLSA-N 0 0 319.409 0.661 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000270687237 295375436 /nfs/dbraw/zinc/37/54/36/295375436.db2.gz VQQAVEWCEVMCSH-SNVBAGLBSA-N 0 0 302.338 0.046 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCO[C@H](C3CC3)C2)CCCC1 ZINC000330184834 295474261 /nfs/dbraw/zinc/47/42/61/295474261.db2.gz QZHAAEFKOKLPLN-LBPRGKRZSA-N 0 0 301.408 0.981 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000190171513 297606303 /nfs/dbraw/zinc/60/63/03/297606303.db2.gz JTDKPRWZSPBDIC-XHNCKOQMSA-N 0 0 303.302 0.493 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190209194 297609221 /nfs/dbraw/zinc/60/92/21/297609221.db2.gz JXHIYFAVLSXNNK-AXFHLTTASA-N 0 0 304.412 0.483 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N(C)CC(F)(F)F ZINC000408149246 298067732 /nfs/dbraw/zinc/06/77/32/298067732.db2.gz JTTAWZSNADAUME-RKDXNWHRSA-N 0 0 316.345 0.515 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C(N)=O)N1CCCCC1=O ZINC000194040714 298295384 /nfs/dbraw/zinc/29/53/84/298295384.db2.gz WDQOCBHYKMEEDB-UPJWGTAASA-N 0 0 309.410 0.890 10 0 DCAERN C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCOC1)N1CCOCC1 ZINC000275255890 298769364 /nfs/dbraw/zinc/76/93/64/298769364.db2.gz HDFIJKKJLIIJAY-CHWSQXEVSA-N 0 0 322.409 0.375 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CCS1 ZINC000125216350 300161645 /nfs/dbraw/zinc/16/16/45/300161645.db2.gz AJUXNAZNTJGWQM-VHSXEESVSA-N 0 0 308.469 0.914 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC(=O)N1C ZINC000282077846 300199368 /nfs/dbraw/zinc/19/93/68/300199368.db2.gz CGMFOBYLZZPQJO-UWVGGRQHSA-N 0 0 317.345 0.709 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2CCOc3ccccc32)[C@@H]1C(N)=O ZINC000285232153 300593859 /nfs/dbraw/zinc/59/38/59/300593859.db2.gz GAOSIVGZKIJQGA-QKCSRTOESA-N 0 0 304.346 0.654 10 0 DCAERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(C(N)=O)cn1 ZINC000408033814 300852134 /nfs/dbraw/zinc/85/21/34/300852134.db2.gz QDYQTSLMAAYOCL-WWGRRREGSA-N 0 0 305.378 0.937 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCCn3ncnc31)CS2 ZINC000177600959 300862167 /nfs/dbraw/zinc/86/21/67/300862167.db2.gz ICEUYCIUHBCWOM-RULNRJAQSA-N 0 0 321.406 0.683 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000183699549 301323850 /nfs/dbraw/zinc/32/38/50/301323850.db2.gz RVGSJWKOUDLAQL-JSGCOSHPSA-N 0 0 319.336 0.412 10 0 DCAERN O=S(=O)(N[C@H]1CCc2nnnn2CC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333897442 304766980 /nfs/dbraw/zinc/76/69/80/304766980.db2.gz YMOFOROIVDYXJP-NOOOWODRSA-N 0 0 311.411 0.486 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333213171 303231810 /nfs/dbraw/zinc/23/18/10/303231810.db2.gz UYWRVKXQKUUIHR-XZUYRWCXSA-N 0 0 302.396 0.867 10 0 DCAERN NC(=O)NC(=O)C1CCC(NC(=O)C[C@@H]2CCCCO2)CC1 ZINC000408369063 303266450 /nfs/dbraw/zinc/26/64/50/303266450.db2.gz QYQJWLRGZOZAHR-MCIGGMRASA-N 0 0 311.382 0.816 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cn1 ZINC000091782981 303307376 /nfs/dbraw/zinc/30/73/76/303307376.db2.gz FJDPCPDHKDYJDY-VIFPVBQESA-N 0 0 314.139 0.170 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408045001 303312576 /nfs/dbraw/zinc/31/25/76/303312576.db2.gz PNKXQSASUXKHQB-VGMNWLOBSA-N 0 0 311.279 0.437 10 0 DCAERN O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408483875 303819508 /nfs/dbraw/zinc/81/95/08/303819508.db2.gz MUIIKRKWCHRKTG-QWHCGFSZSA-N 0 0 316.423 0.486 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NCCOCC2CCC2)cn1 ZINC000570895898 332836876 /nfs/dbraw/zinc/83/68/76/332836876.db2.gz SEVGKCOIFFBUCK-UHFFFAOYSA-N 0 0 306.366 0.910 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000332826599 332879443 /nfs/dbraw/zinc/87/94/43/332879443.db2.gz LNEAKUYVDYOTKC-ZOBORPQBSA-N 0 0 321.381 0.286 10 0 DCAERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCO[C@H](C2CC2)C1 ZINC000332824749 332880700 /nfs/dbraw/zinc/88/07/00/332880700.db2.gz STQMVPYLGHEAEY-AAEUAGOBSA-N 0 0 316.423 0.632 10 0 DCAERN Cc1cc(C)n(CC(=O)NC[C@H](CO)Cc2cnn(C)c2)n1 ZINC000574973444 332898468 /nfs/dbraw/zinc/89/84/68/332898468.db2.gz VJXFPJVHMZIWFU-CQSZACIVSA-N 0 0 305.382 0.201 10 0 DCAERN C[C@@H](CN1C(=O)N[C@H](CCOC(C)(C)C)C1=O)S(C)(=O)=O ZINC000570471531 332759416 /nfs/dbraw/zinc/75/94/16/332759416.db2.gz JSDSNBSECHMNGM-VHSXEESVSA-N 0 0 320.411 0.545 10 0 DCAERN Cn1cnc(=O)n1CC(=O)NCCc1cccc2cccnc21 ZINC000580153956 332965516 /nfs/dbraw/zinc/96/55/16/332965516.db2.gz SUJPESAOMBWNOV-UHFFFAOYSA-N 0 0 311.345 0.489 10 0 DCAERN NC(=O)CCCCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000188810364 333055633 /nfs/dbraw/zinc/05/56/33/333055633.db2.gz YWSURVIOJKRAAL-GFCCVEGCSA-N 0 0 303.362 0.954 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000580306905 333087140 /nfs/dbraw/zinc/08/71/40/333087140.db2.gz WUUFRLNQOQAOSD-MRVPVSSYSA-N 0 0 300.340 0.058 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccn(C)n2)C[C@@]2(CCCOC2)O1 ZINC000570993950 333477529 /nfs/dbraw/zinc/47/75/29/333477529.db2.gz XZRIDLROJARFCA-IUODEOHRSA-N 0 0 308.382 0.900 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc(N3CCCC3=O)cn2)cn1 ZINC000583700222 337086091 /nfs/dbraw/zinc/08/60/91/337086091.db2.gz PBNOAJMLMVMFQS-UHFFFAOYSA-N 0 0 315.333 0.959 10 0 DCAERN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCNCC2)s1 ZINC000584591055 337373450 /nfs/dbraw/zinc/37/34/50/337373450.db2.gz BNUOLMNPFVXHQR-UHFFFAOYSA-N 0 0 304.397 0.004 10 0 DCAERN NS(=O)(=O)c1cccc(-c2cncc(F)c2)c1-c1nn[nH]n1 ZINC000584596536 337374261 /nfs/dbraw/zinc/37/42/61/337374261.db2.gz JMRDKQDNBBFYOV-UHFFFAOYSA-N 0 0 320.309 0.715 10 0 DCAERN Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@@H]2CO)c1 ZINC000584654484 337377675 /nfs/dbraw/zinc/37/76/75/337377675.db2.gz KCZFRELOSRIWJI-CQSZACIVSA-N 0 0 302.334 0.757 10 0 DCAERN CCOC(=O)c1c(C)c(C(=O)N2CCOCC2)c(C)n1NC ZINC000584655895 337377894 /nfs/dbraw/zinc/37/78/94/337377894.db2.gz JWFWJPJZTMBJOE-UHFFFAOYSA-N 0 0 309.366 0.927 10 0 DCAERN O=C(NCCn1cccn1)N1CCC(Nc2cccnn2)CC1 ZINC000172626490 341803141 /nfs/dbraw/zinc/80/31/41/341803141.db2.gz STLDCKQJKHYHCE-UHFFFAOYSA-N 0 0 315.381 0.959 10 0 DCAERN Cc1cnc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000173879399 341820696 /nfs/dbraw/zinc/82/06/96/341820696.db2.gz WQCDVGIKWTYPAN-SECBINFHSA-N 0 0 303.409 0.780 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173865707 341820481 /nfs/dbraw/zinc/82/04/81/341820481.db2.gz HRUFOPHFVLEQHX-YPMHNXCESA-N 0 0 321.352 0.602 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](CO)[C@H](O)C1)C(C)C ZINC000192636260 341878746 /nfs/dbraw/zinc/87/87/46/341878746.db2.gz LVNMLNWEQONOIB-NFAWXSAZSA-N 0 0 314.426 0.375 10 0 DCAERN Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccon1 ZINC000580656361 341893198 /nfs/dbraw/zinc/89/31/98/341893198.db2.gz KHLOQOKIJDODAJ-UHFFFAOYSA-N 0 0 310.335 0.298 10 0 DCAERN C[C@@H]1c2nncn2CCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000577883850 341946233 /nfs/dbraw/zinc/94/62/33/341946233.db2.gz UZEJPZFQOBLJLT-HZSPNIEDSA-N 0 0 319.409 0.825 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3cccnc3)CC2)O1 ZINC000133012606 534127911 /nfs/dbraw/zinc/12/79/11/534127911.db2.gz MFFGBMSLNOJUJV-OCCSQVGLSA-N 0 0 303.362 0.934 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC[C@@H]1O ZINC000186578392 534371744 /nfs/dbraw/zinc/37/17/44/534371744.db2.gz NULAGERVEVPRSZ-OEYIWLLWSA-N 0 0 317.389 0.830 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NCCNC(=O)c1cccnc1 ZINC000188358379 519354960 /nfs/dbraw/zinc/35/49/60/519354960.db2.gz ASAVJADVHVPNAD-CQSZACIVSA-N 0 0 322.409 0.860 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000365519212 519450922 /nfs/dbraw/zinc/45/09/22/519450922.db2.gz WUESOJRIYOHNAK-INIZCTEOSA-N 0 0 317.389 0.826 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000188588415 519487831 /nfs/dbraw/zinc/48/78/31/519487831.db2.gz SICLOBRQINYBFH-ZIAGYGMSSA-N 0 0 322.361 0.409 10 0 DCAERN CC(=O)NC1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 ZINC000190498310 519647513 /nfs/dbraw/zinc/64/75/13/519647513.db2.gz CLVUTWVVEOKDMI-UHFFFAOYSA-N 0 0 314.345 0.516 10 0 DCAERN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000157564546 519713597 /nfs/dbraw/zinc/71/35/97/519713597.db2.gz SOAUQWKVWWNABZ-WDEREUQCSA-N 0 0 313.423 0.898 10 0 DCAERN CC(C)COCCCNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000246085864 519754108 /nfs/dbraw/zinc/75/41/08/519754108.db2.gz GFSWLURGPSTLJB-STQMWFEESA-N 0 0 308.444 0.993 10 0 DCAERN CC(C)[C@H](O)CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000158282536 519822557 /nfs/dbraw/zinc/82/25/57/519822557.db2.gz CREJRYYUYZJARO-CYBMUJFWSA-N 0 0 320.393 0.236 10 0 DCAERN CCCNC(=O)C1CCN(c2ccc(C(=O)NC)nn2)CC1 ZINC000266799344 519867181 /nfs/dbraw/zinc/86/71/81/519867181.db2.gz BQGAEHXDVQVGSD-UHFFFAOYSA-N 0 0 305.382 0.579 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000364398151 519870317 /nfs/dbraw/zinc/87/03/17/519870317.db2.gz FQQSDIBIUMDHNM-QWRGUYRKSA-N 0 0 320.397 0.766 10 0 DCAERN CCOCCN1CCN(CC(=O)NCCCOC)C[C@@H]1C ZINC000105914172 519920477 /nfs/dbraw/zinc/92/04/77/519920477.db2.gz WEDAJPMDGGTZIJ-AWEZNQCLSA-N 0 0 301.431 0.182 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000189678716 520432672 /nfs/dbraw/zinc/43/26/72/520432672.db2.gz UKGNITMCBRKOCM-AWEZNQCLSA-N 0 0 317.389 0.411 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000127835697 520766936 /nfs/dbraw/zinc/76/69/36/520766936.db2.gz AVEQCVOFJINIGG-NXEZZACHSA-N 0 0 308.386 0.629 10 0 DCAERN CCC(CC)NC(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246985695 521589743 /nfs/dbraw/zinc/58/97/43/521589743.db2.gz FUXWFSWFIISZBZ-CMPLNLGQSA-N 0 0 305.444 0.303 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000131227912 521732482 /nfs/dbraw/zinc/73/24/82/521732482.db2.gz ARPNWXIWAXWBRL-GFCCVEGCSA-N 0 0 322.413 0.787 10 0 DCAERN CC[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)c1ccc(OC)cc1 ZINC000192571874 521820818 /nfs/dbraw/zinc/82/08/18/521820818.db2.gz MNXSGDDOJDSIFK-KGLIPLIRSA-N 0 0 306.362 0.902 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000188970958 522201982 /nfs/dbraw/zinc/20/19/82/522201982.db2.gz LDUXCTXLZZJJHS-UWVGGRQHSA-N 0 0 318.345 0.734 10 0 DCAERN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N(C)CC1(O)CCOCC1 ZINC000162080644 522314754 /nfs/dbraw/zinc/31/47/54/522314754.db2.gz HYABLMDLZSZQEX-GHMZBOCLSA-N 0 0 301.387 0.069 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119385233 522326137 /nfs/dbraw/zinc/32/61/37/522326137.db2.gz BCWPQPPBJBYAFJ-MFKMUULPSA-N 0 0 314.407 0.732 10 0 DCAERN COc1cc(S(=O)(=O)N(C)CC(=O)NC2CC2)ccc1F ZINC000190464375 522894074 /nfs/dbraw/zinc/89/40/74/522894074.db2.gz KCEKHRAMSMPBCB-UHFFFAOYSA-N 0 0 316.354 0.733 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000157625910 523197761 /nfs/dbraw/zinc/19/77/61/523197761.db2.gz XRMHFPAPAMKXEK-MNOVXSKESA-N 0 0 312.391 0.799 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCN1CCOC ZINC000119048726 523249363 /nfs/dbraw/zinc/24/93/63/523249363.db2.gz FDBWIHWJZAEKJE-ZDUSSCGKSA-N 0 0 322.409 0.307 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000126538884 523317649 /nfs/dbraw/zinc/31/76/49/523317649.db2.gz KDRUSKLNGYBOGT-UHFFFAOYSA-N 0 0 313.379 0.121 10 0 DCAERN CO[C@@H](C)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000191660436 523413589 /nfs/dbraw/zinc/41/35/89/523413589.db2.gz CSPHBFXYOZBNRH-JTQLQIEISA-N 0 0 309.370 0.873 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)CCCOC)CCO2)cn1 ZINC000189222770 523467798 /nfs/dbraw/zinc/46/77/98/523467798.db2.gz NSEGZEPDFLKPAI-ZDUSSCGKSA-N 0 0 317.411 0.643 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)Nc3nncs3)CCO2)cn1 ZINC000190829568 523482814 /nfs/dbraw/zinc/48/28/14/523482814.db2.gz PDAGUZNBCSEKQO-LLVKDONJSA-N 0 0 322.394 0.767 10 0 DCAERN CCn1ncc2ccc(NC(=O)C[C@@H]3NC(=O)NC3=O)cc21 ZINC000124265433 523701431 /nfs/dbraw/zinc/70/14/31/523701431.db2.gz JHPMIXKIHXWJPZ-JTQLQIEISA-N 0 0 301.306 0.593 10 0 DCAERN CN1CCC(NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000157451626 523775732 /nfs/dbraw/zinc/77/57/32/523775732.db2.gz NQIHFMBYRYEELC-UHFFFAOYSA-N 0 0 302.421 0.976 10 0 DCAERN CCc1ccc(C(=O)CCC(=O)NCCOCC(N)=O)cc1 ZINC000131369584 523878471 /nfs/dbraw/zinc/87/84/71/523878471.db2.gz HZQNIPLJYXQLLR-UHFFFAOYSA-N 0 0 306.362 0.830 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@H](Oc3ccncc3)C2)CCC1=O ZINC000158048591 524023439 /nfs/dbraw/zinc/02/34/39/524023439.db2.gz LEMJVPBMYAGNFC-TZMCWYRMSA-N 0 0 318.377 0.865 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cccnc1N(C)C ZINC000155831532 524082425 /nfs/dbraw/zinc/08/24/25/524082425.db2.gz MNVUKCOZKUMXSW-LBPRGKRZSA-N 0 0 305.382 0.568 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000190895454 524082535 /nfs/dbraw/zinc/08/25/35/524082535.db2.gz YSGPFWLCSUUDKE-QWHCGFSZSA-N 0 0 302.334 0.312 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190536293 524082588 /nfs/dbraw/zinc/08/25/88/524082588.db2.gz QFDKDGSKTJDQQW-NSHDSACASA-N 0 0 316.354 0.733 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n(C)n1 ZINC000154315992 524149007 /nfs/dbraw/zinc/14/90/07/524149007.db2.gz JYAJVOJIQWBEBT-LBPRGKRZSA-N 0 0 302.382 0.861 10 0 DCAERN COc1ccc(F)cc1CNC(=O)NCCS(C)(=O)=O ZINC000186491242 524312845 /nfs/dbraw/zinc/31/28/45/524312845.db2.gz SXNJXXMCBSSSGH-UHFFFAOYSA-N 0 0 304.343 0.678 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCO)[C@H](C)C2)[C@H]1C ZINC000249570515 524397311 /nfs/dbraw/zinc/39/73/11/524397311.db2.gz ODJSBJATTXIWFQ-WCVJEAGWSA-N 0 0 311.470 0.926 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC000156727195 524571594 /nfs/dbraw/zinc/57/15/94/524571594.db2.gz YRQAIODDRCEXRH-WCQYABFASA-N 0 0 305.378 0.915 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000176876223 524597610 /nfs/dbraw/zinc/59/76/10/524597610.db2.gz VOSVPTNAQBXHGH-GFCCVEGCSA-N 0 0 313.423 0.802 10 0 DCAERN COc1ccccc1NCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189503410 524633973 /nfs/dbraw/zinc/63/39/73/524633973.db2.gz CWSYJORDLICYNG-UHFFFAOYSA-N 0 0 303.362 0.844 10 0 DCAERN C[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)C[C@H](C)O1 ZINC000126904824 524642846 /nfs/dbraw/zinc/64/28/46/524642846.db2.gz DOIKGWSVCUJLLJ-KBPBESRZSA-N 0 0 305.426 0.838 10 0 DCAERN C[C@@H](CNC(=O)NC[C@](C)(O)c1ccccc1)N1CCOCC1 ZINC000114518381 524681721 /nfs/dbraw/zinc/68/17/21/524681721.db2.gz CGSUXVHDYVMXGF-YOEHRIQHSA-N 0 0 321.421 0.914 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000155279611 524905543 /nfs/dbraw/zinc/90/55/43/524905543.db2.gz VTQWRCIECLNAEC-PHIMTYICSA-N 0 0 314.407 0.989 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000177034141 524997321 /nfs/dbraw/zinc/99/73/21/524997321.db2.gz YIRCUUMSFJZXSD-UHFFFAOYSA-N 0 0 324.402 0.969 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000135324723 525036037 /nfs/dbraw/zinc/03/60/37/525036037.db2.gz XBYFIZCWKMXGID-MFKMUULPSA-N 0 0 324.402 0.916 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)N3CC(CO)C3)cn2)C[C@@H](C)O1 ZINC000157007485 525063432 /nfs/dbraw/zinc/06/34/32/525063432.db2.gz WCEBOJYBJIPDHI-VXGBXAGGSA-N 0 0 305.378 0.760 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cccnc2Cl)C1 ZINC000116930050 525207996 /nfs/dbraw/zinc/20/79/96/525207996.db2.gz ITJDSCDXERPEMG-MRVPVSSYSA-N 0 0 318.786 0.890 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000116904368 525215019 /nfs/dbraw/zinc/21/50/19/525215019.db2.gz RSFHJQDGAJWZFX-LBPRGKRZSA-N 0 0 324.468 0.520 10 0 DCAERN Cc1[nH]nc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1C ZINC000269837784 525468221 /nfs/dbraw/zinc/46/82/21/525468221.db2.gz DIUYDJWJJFRWNR-SNVBAGLBSA-N 0 0 300.384 0.180 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000188335505 525558967 /nfs/dbraw/zinc/55/89/67/525558967.db2.gz YOSMYYUZBHHNNM-SMDDNHRTSA-N 0 0 306.362 0.982 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1nncn1-c1ccccc1 ZINC000189992628 525593882 /nfs/dbraw/zinc/59/38/82/525593882.db2.gz AXGHMDDGHNWFIX-WCQYABFASA-N 0 0 322.390 0.864 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000156456862 525640680 /nfs/dbraw/zinc/64/06/80/525640680.db2.gz BYCADKVEWLSNPG-ZJUUUORDSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1cnc(CCN(C)C(=O)CN(C)S(C)(=O)=O)s1 ZINC000124610569 525992464 /nfs/dbraw/zinc/99/24/64/525992464.db2.gz TVNZGTCKUQEFTG-UHFFFAOYSA-N 0 0 305.425 0.344 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(F)c1 ZINC000267283661 526128829 /nfs/dbraw/zinc/12/88/29/526128829.db2.gz XINGALVTEFQXDJ-JTQLQIEISA-N 0 0 300.355 0.898 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000126818509 526434607 /nfs/dbraw/zinc/43/46/07/526434607.db2.gz XLCOPZGSXRCCOF-ZDUSSCGKSA-N 0 0 319.409 0.823 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000330858901 526483927 /nfs/dbraw/zinc/48/39/27/526483927.db2.gz TYGZUWWXPGBEMV-GFCCVEGCSA-N 0 0 319.361 0.591 10 0 DCAERN CC(=O)N1CC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)C1 ZINC000188253158 526512813 /nfs/dbraw/zinc/51/28/13/526512813.db2.gz GZAHTISHFCEWNK-ZIAGYGMSSA-N 0 0 312.435 0.978 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000154726455 526549030 /nfs/dbraw/zinc/54/90/30/526549030.db2.gz FMMSOVCQIGSDOA-GXTWGEPZSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc2ccccn2c1 ZINC000128051381 526572798 /nfs/dbraw/zinc/57/27/98/526572798.db2.gz HLWGRDMMJRNXMT-HNNXBMFYSA-N 0 0 303.362 0.362 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000330899668 526575060 /nfs/dbraw/zinc/57/50/60/526575060.db2.gz ABNPEJGFCABZNX-IAQYHMDHSA-N 0 0 314.382 0.206 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C ZINC000330899670 526592812 /nfs/dbraw/zinc/59/28/12/526592812.db2.gz ABNPEJGFCABZNX-XHDPSFHLSA-N 0 0 314.382 0.206 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000176685457 526643215 /nfs/dbraw/zinc/64/32/15/526643215.db2.gz CNKCVKDFQZXPNO-CYBMUJFWSA-N 0 0 309.410 0.620 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000330986466 526652088 /nfs/dbraw/zinc/65/20/88/526652088.db2.gz QAZCFPQCDMIIND-LLVKDONJSA-N 0 0 311.363 0.469 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903306 526660302 /nfs/dbraw/zinc/66/03/02/526660302.db2.gz UMNYMIDDGFOVKO-GXTWGEPZSA-N 0 0 312.414 0.843 10 0 DCAERN O=C(NCc1ccc(N2CCCC2=O)cc1)N1CC(CO)C1 ZINC000190612771 526680760 /nfs/dbraw/zinc/68/07/60/526680760.db2.gz FUFMKPVCOIXIKG-UHFFFAOYSA-N 0 0 303.362 0.947 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)s1 ZINC000176920550 526739332 /nfs/dbraw/zinc/73/93/32/526739332.db2.gz FPADYRXQTAEAMG-SECBINFHSA-N 0 0 313.408 0.645 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1ccn[nH]1 ZINC000183738847 526805611 /nfs/dbraw/zinc/80/56/11/526805611.db2.gz XHZNINJXAOYJDE-UHFFFAOYSA-N 0 0 305.313 0.710 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000121014085 526899385 /nfs/dbraw/zinc/89/93/85/526899385.db2.gz DTIIHCHJSPFCSZ-JTQLQIEISA-N 0 0 300.405 0.867 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)C2)no1 ZINC000267701257 526921903 /nfs/dbraw/zinc/92/19/03/526921903.db2.gz RNUFNLBLPKAATJ-VXGBXAGGSA-N 0 0 321.381 0.573 10 0 DCAERN NC(=O)NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183198993 526925248 /nfs/dbraw/zinc/92/52/48/526925248.db2.gz SJRUPHOHKGNKSW-UHFFFAOYSA-N 0 0 319.287 0.734 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)N1CCNC(=O)CC1 ZINC000154559420 526929771 /nfs/dbraw/zinc/92/97/71/526929771.db2.gz BJMAWVCWVCQQGC-LLVKDONJSA-N 0 0 321.356 0.331 10 0 DCAERN Cc1nc(Cl)ccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000152200331 526937507 /nfs/dbraw/zinc/93/75/07/526937507.db2.gz SNGYRUMMAFBXGH-VIFPVBQESA-N 0 0 317.798 0.807 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000270632809 526946345 /nfs/dbraw/zinc/94/63/45/526946345.db2.gz LWOYQPDJWWOYAK-ZETCQYMHSA-N 0 0 302.128 0.925 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ccn(-c2ccccc2F)n1 ZINC000189311257 527013926 /nfs/dbraw/zinc/01/39/26/527013926.db2.gz SGEWARJQSQPWSH-CQSZACIVSA-N 0 0 304.325 0.698 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)cn1 ZINC000128842970 527300093 /nfs/dbraw/zinc/30/00/93/527300093.db2.gz WHFCIJQLCPRQIA-DGCLKSJQSA-N 0 0 305.382 0.540 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC2CC2)cc1 ZINC000120348668 527313797 /nfs/dbraw/zinc/31/37/97/527313797.db2.gz JZRHUTCBOBJDMX-UHFFFAOYSA-N 0 0 318.420 0.554 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000187651981 527751062 /nfs/dbraw/zinc/75/10/62/527751062.db2.gz HOKUMAQUOSQKAD-HNNXBMFYSA-N 0 0 315.458 0.164 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000130949365 527892058 /nfs/dbraw/zinc/89/20/58/527892058.db2.gz BKWFGBMUAUTAPZ-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN CCO[C@H](C)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000276707494 527999684 /nfs/dbraw/zinc/99/96/84/527999684.db2.gz PKZZTFCRAFGUIF-YPMHNXCESA-N 0 0 308.382 0.868 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1=O ZINC000188378763 528010870 /nfs/dbraw/zinc/01/08/70/528010870.db2.gz OCRJFRRFZYDZJE-ZDUSSCGKSA-N 0 0 317.455 0.763 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000163721815 528335778 /nfs/dbraw/zinc/33/57/78/528335778.db2.gz NMPVWCDLYGFSCD-SKDRFNHKSA-N 0 0 308.300 0.771 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000189956095 528367685 /nfs/dbraw/zinc/36/76/85/528367685.db2.gz MEILFOPLFHHSTL-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175060372 528630293 /nfs/dbraw/zinc/63/02/93/528630293.db2.gz HXRFIKZFSGULDX-ZDUSSCGKSA-N 0 0 306.366 0.646 10 0 DCAERN CC(C)n1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604342 528701858 /nfs/dbraw/zinc/70/18/58/528701858.db2.gz JKZPXDWQNWHYTC-QWHCGFSZSA-N 0 0 320.401 0.611 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000186481309 528890314 /nfs/dbraw/zinc/89/03/14/528890314.db2.gz WEOJIJBSHKSXFC-VXGBXAGGSA-N 0 0 308.382 0.899 10 0 DCAERN CCN(C(=O)CC(=O)NC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000185836075 528935021 /nfs/dbraw/zinc/93/50/21/528935021.db2.gz UDPMVFPHMFIBRA-CYBMUJFWSA-N 0 0 303.362 0.777 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177543293 528939268 /nfs/dbraw/zinc/93/92/68/528939268.db2.gz VQIOVOWWVILAQT-FRRDWIJNSA-N 0 0 306.428 0.699 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCCNC(=O)C1CC1 ZINC000178882148 528975972 /nfs/dbraw/zinc/97/59/72/528975972.db2.gz GRKWWTKSBVAZOU-LBPRGKRZSA-N 0 0 312.414 0.507 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCN2C(=O)CNC2=O)c1 ZINC000457576210 536880720 /nfs/dbraw/zinc/88/07/20/536880720.db2.gz LAXGMOPSCKYSPW-UHFFFAOYSA-N 0 0 319.317 0.063 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000401878611 546226041 /nfs/dbraw/zinc/22/60/41/546226041.db2.gz GUAIALVHRNHPGC-CYBMUJFWSA-N 0 0 303.355 0.988 10 0 DCAERN CC[C@H](C)NC(=O)Cn1c2cccnc2n(CC)c(=O)c1=O ZINC000035449697 545644676 /nfs/dbraw/zinc/64/46/76/545644676.db2.gz KWGQIQHVXXYBMX-JTQLQIEISA-N 0 0 304.350 0.493 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NCC[C@H]1CCCO1 ZINC000074850302 545673758 /nfs/dbraw/zinc/67/37/58/545673758.db2.gz KHCSJDYJRIESJS-LLVKDONJSA-N 0 0 302.330 0.968 10 0 DCAERN Cc1ccc(CCC(=O)NCCN2CCS(=O)(=O)CC2)cc1 ZINC000078650588 545682607 /nfs/dbraw/zinc/68/26/07/545682607.db2.gz RIZWLRLQVMHXOA-UHFFFAOYSA-N 0 0 324.446 0.774 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@@H](C(N)=O)O1 ZINC000092282410 545721990 /nfs/dbraw/zinc/72/19/90/545721990.db2.gz YKBAFJCQOXAXNN-KOLCDFICSA-N 0 0 308.382 0.432 10 0 DCAERN CCCn1cc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC000119469189 545738542 /nfs/dbraw/zinc/73/85/42/545738542.db2.gz VKXQWFDBWZPGML-UHFFFAOYSA-N 0 0 319.409 0.216 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000120915124 545746450 /nfs/dbraw/zinc/74/64/50/545746450.db2.gz ARXJNUPFMUKNLR-KGLIPLIRSA-N 0 0 320.455 0.538 10 0 DCAERN Cc1ccc(O)c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000123304580 545755422 /nfs/dbraw/zinc/75/54/22/545755422.db2.gz NRQPLSMORHWOKM-ZDUSSCGKSA-N 0 0 318.421 0.880 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177968454 545893742 /nfs/dbraw/zinc/89/37/42/545893742.db2.gz HKDPXYZBLCDUST-GXTWGEPZSA-N 0 0 320.393 0.899 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)N[C@H]3CCOC3)CC2)no1 ZINC000179163567 545898360 /nfs/dbraw/zinc/89/83/60/545898360.db2.gz XVSLRAOOXCPKBL-LBPRGKRZSA-N 0 0 309.370 0.384 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H](C)CO ZINC000179430523 545899504 /nfs/dbraw/zinc/89/95/04/545899504.db2.gz DWQHSVPGDFPYTM-NXEZZACHSA-N 0 0 300.380 0.389 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000179686900 545900368 /nfs/dbraw/zinc/90/03/68/545900368.db2.gz SAIBRFUDMZHTCA-JTQLQIEISA-N 0 0 322.745 0.354 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc(C)c1F)C(C)C ZINC000180740664 545901229 /nfs/dbraw/zinc/90/12/29/545901229.db2.gz MSPMYXAYSSCMQT-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NC(CO)CO)[C@H]1c1ccccc1 ZINC000183631450 545908717 /nfs/dbraw/zinc/90/87/17/545908717.db2.gz OXSIQNUNCKYWJS-UKRRQHHQSA-N 0 0 306.362 0.066 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000185080291 545911841 /nfs/dbraw/zinc/91/18/41/545911841.db2.gz YCKFHTYHAAJOMT-ZDUSSCGKSA-N 0 0 316.365 0.064 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000191306409 545925719 /nfs/dbraw/zinc/92/57/19/545925719.db2.gz FPFKUPVCKAXQSG-HNNXBMFYSA-N 0 0 323.437 0.350 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)nn1-c1ccccc1 ZINC000191988595 545927194 /nfs/dbraw/zinc/92/71/94/545927194.db2.gz HGPXIIVPDDVUKP-CJNGLKHVSA-N 0 0 315.373 0.996 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCCN1CCCC1=O ZINC000192901782 545929602 /nfs/dbraw/zinc/92/96/02/545929602.db2.gz HGVDOIPPDMRANN-ZDUSSCGKSA-N 0 0 322.409 0.452 10 0 DCAERN C[C@@H](Nc1cc(N[C@@H](C)[C@H](C)CO)nc2ncnn21)[C@H](C)CO ZINC000248668023 545969499 /nfs/dbraw/zinc/96/94/99/545969499.db2.gz QITUGGYKPCSVEI-WISYIIOYSA-N 0 0 322.413 0.982 10 0 DCAERN CC(=O)c1nccn1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000281281761 545997826 /nfs/dbraw/zinc/99/78/26/545997826.db2.gz XDVWJZFGNWRJGX-CQSZACIVSA-N 0 0 322.409 0.559 10 0 DCAERN CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332963494 546067702 /nfs/dbraw/zinc/06/77/02/546067702.db2.gz OZYKTMRTBWCGHX-INMHGKMJSA-N 0 0 324.469 0.569 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1=O ZINC000333046539 546070851 /nfs/dbraw/zinc/07/08/51/546070851.db2.gz AAPCVKQTWGTOHV-XREXNNHRSA-N 0 0 317.389 0.442 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccncc3)CC2)[N@H+](C)C1 ZINC000343324661 546135094 /nfs/dbraw/zinc/13/50/94/546135094.db2.gz VWPSIUOJIHNMSI-HOTGVXAUSA-N 0 0 318.421 0.445 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N1CCCOCC1)c1ccccc1 ZINC000357962515 546188632 /nfs/dbraw/zinc/18/86/32/546188632.db2.gz ZXOHDVJEXNFANA-CQSZACIVSA-N 0 0 306.362 0.739 10 0 DCAERN O=S1(=O)CC(CCNc2ncncc2Br)C1 ZINC000381631709 546215793 /nfs/dbraw/zinc/21/57/93/546215793.db2.gz MZAQEPHRMAUIGP-UHFFFAOYSA-N 0 0 306.185 0.508 10 0 DCAERN Nc1ccc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)c(F)c1 ZINC000396736455 546222948 /nfs/dbraw/zinc/22/29/48/546222948.db2.gz KFFCOVNYNQKUJO-SECBINFHSA-N 0 0 301.343 0.355 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@](CO)(OC)C2)c1 ZINC000401914070 546225966 /nfs/dbraw/zinc/22/59/66/546225966.db2.gz ZGIBUXUVLPSPLT-LBPRGKRZSA-N 0 0 303.384 0.065 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCCOCC1 ZINC000519472992 546281396 /nfs/dbraw/zinc/28/13/96/546281396.db2.gz MVBSIEJNVCEWIK-LLVKDONJSA-N 0 0 321.381 0.041 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccnn2C(C)C)C[C@H]1c1cn[nH]n1 ZINC000622167401 546324466 /nfs/dbraw/zinc/32/44/66/546324466.db2.gz WRCIJBYWBLECPH-GXFFZTMASA-N 0 0 304.354 0.837 10 0 DCAERN CNc1ncnc2cc(C(=O)NC[C@@H]3CN(C)CCO3)ccc21 ZINC000667605259 546627322 /nfs/dbraw/zinc/62/73/22/546627322.db2.gz CHQIOQKDCSKZOW-GFCCVEGCSA-N 0 0 315.377 0.732 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@@H]1N1CCOCC1 ZINC000669321496 546956084 /nfs/dbraw/zinc/95/60/84/546956084.db2.gz PYCMMWZOAOZPEB-YPMHNXCESA-N 0 0 315.377 0.702 10 0 DCAERN O[C@@]1(Cn2ccnn2)CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000671553144 547247868 /nfs/dbraw/zinc/24/78/68/547247868.db2.gz JRDWLMRXHFJDKP-HNNXBMFYSA-N 0 0 318.381 0.956 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](O)CO)cc1Br ZINC000090280544 1175391018 /nfs/dbraw/zinc/39/10/18/1175391018.db2.gz HMAXYSBQCZFRAA-MRVPVSSYSA-N 0 0 304.140 0.541 10 0 DCAERN Cc1sc(=O)n(CCC(=O)O[C@@H]2CCS(=O)(=O)C2)c1C ZINC000172187463 664617259 /nfs/dbraw/zinc/61/72/59/664617259.db2.gz YETMDQORMXHWHZ-SNVBAGLBSA-N 0 0 319.404 0.647 10 0 DCAERN O=C(NC1Cc2ccccc2C1)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093570 661158462 /nfs/dbraw/zinc/15/84/62/661158462.db2.gz HLIAYAKNGJRRJY-HUUCEWRRSA-N 0 0 314.345 0.108 10 0 DCAERN CCN(Cc1ccoc1)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093544 661158592 /nfs/dbraw/zinc/15/85/92/661158592.db2.gz FAFSIPZGQBAEFI-CHWSQXEVSA-N 0 0 306.322 0.466 10 0 DCAERN Cc1cc(C)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)[nH]1 ZINC000888093631 661158913 /nfs/dbraw/zinc/15/89/13/661158913.db2.gz MFBPMMUAQLNZLP-QWHCGFSZSA-N 0 0 304.350 0.941 10 0 DCAERN Cc1ncc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c(C)n1 ZINC000888094789 661162547 /nfs/dbraw/zinc/16/25/47/661162547.db2.gz CUOPRDDSMAXBMN-GUTXKFCHSA-N 0 0 318.377 0.649 10 0 DCAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCCC3)C2)C1 ZINC000888098379 661176729 /nfs/dbraw/zinc/17/67/29/661176729.db2.gz JUGMLYPBJJMFBO-NSHDSACASA-N 0 0 323.368 0.589 10 0 DCAERN O=C(NCCCN1CCN(c2cccnn2)CC1)C(F)(F)F ZINC000180605028 665446825 /nfs/dbraw/zinc/44/68/25/665446825.db2.gz WWVYLCSGIFURPF-UHFFFAOYSA-N 0 0 317.315 0.667 10 0 DCAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO ZINC000180952553 665465769 /nfs/dbraw/zinc/46/57/69/665465769.db2.gz IYKVWDPMQWWGLJ-ZCFIWIBFSA-N 0 0 307.133 0.900 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)OCCn2cccn2)c1 ZINC000255385154 657630661 /nfs/dbraw/zinc/63/06/61/657630661.db2.gz FNXYADBFLSXVTO-ARJAWSKDSA-N 0 0 300.318 0.894 10 0 DCAERN Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc1 ZINC000238974296 665505751 /nfs/dbraw/zinc/50/57/51/665505751.db2.gz ZRRCXAXTRGACNN-LBPRGKRZSA-N 0 0 314.345 0.777 10 0 DCAERN CN1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H]1CO ZINC000724046383 657918477 /nfs/dbraw/zinc/91/84/77/657918477.db2.gz CKERKODTGWSQJP-DTWKUNHWSA-N 0 0 306.275 0.543 10 0 DCAERN CCCn1cc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000254972190 657995562 /nfs/dbraw/zinc/99/55/62/657995562.db2.gz JQHSMGUEJHBWRV-WAYWQWQTSA-N 0 0 317.349 0.342 10 0 DCAERN CCN1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000254976565 658003407 /nfs/dbraw/zinc/00/34/07/658003407.db2.gz BGBBNQXTIGJGOD-ZDUSSCGKSA-N 0 0 305.426 0.852 10 0 DCAERN CNC(=O)CCN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255002376 658135927 /nfs/dbraw/zinc/13/59/27/658135927.db2.gz SZJVBOHTABCCIM-LLVKDONJSA-N 0 0 307.398 0.282 10 0 DCAERN Cn1nc(C(=O)NCc2c(Br)cnn2C)cc1N ZINC000725167287 658235301 /nfs/dbraw/zinc/23/53/01/658235301.db2.gz LBISPRAXRYNSDW-UHFFFAOYSA-N 0 0 313.159 0.428 10 0 DCAERN CNC(=O)[C@H](NC(=O)/C=C\c1ccc(C(N)=O)cc1)C(C)C ZINC000255500873 658394188 /nfs/dbraw/zinc/39/41/88/658394188.db2.gz VNSBZHVCQJJKMK-DEBLGDTFSA-N 0 0 303.362 0.686 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000255641429 658439300 /nfs/dbraw/zinc/43/93/00/658439300.db2.gz YLZJYVRLSSZAIL-HWDCTRNWSA-N 0 0 301.346 0.891 10 0 DCAERN COC[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000255519027 658572509 /nfs/dbraw/zinc/57/25/09/658572509.db2.gz MKBMRVRWRPBTGW-ZHRWSRJISA-N 0 0 308.334 0.065 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000177147764 658702898 /nfs/dbraw/zinc/70/28/98/658702898.db2.gz JKIMWKNJOHLXAI-HOCLYGCPSA-N 0 0 322.409 0.426 10 0 DCAERN CCc1nnc(CN2CCN(C3=NC[C@H](C)S3)CC2)n1C ZINC000175801501 658706709 /nfs/dbraw/zinc/70/67/09/658706709.db2.gz XKGUODHOPUYOOS-NSHDSACASA-N 0 0 308.455 0.986 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCc3ccncc32)C1=O ZINC000888076010 658707490 /nfs/dbraw/zinc/70/74/90/658707490.db2.gz NAMZKJRWBLITIZ-CQSZACIVSA-N 0 0 303.362 0.998 10 0 DCAERN CCCc1nc(CN2CCC[C@](O)(Cc3nncn3C)C2)no1 ZINC000888077257 658716925 /nfs/dbraw/zinc/71/69/25/658716925.db2.gz XDHJBLCDXTVWNU-HNNXBMFYSA-N 0 0 320.397 0.720 10 0 DCAERN C=CCNC(=O)CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000051148233 658815049 /nfs/dbraw/zinc/81/50/49/658815049.db2.gz AINZGFMESCRBND-INIZCTEOSA-N 0 0 321.396 0.779 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)Cn1cccn1 ZINC000181578049 665618464 /nfs/dbraw/zinc/61/84/64/665618464.db2.gz ZXVLPLJUUQUWOA-LLVKDONJSA-N 0 0 303.384 0.486 10 0 DCAERN COc1ccc(C(=O)Nc2cn(C)nc2C)cc1-n1cnnn1 ZINC000181067859 659013549 /nfs/dbraw/zinc/01/35/49/659013549.db2.gz PBQMFBIYKXSCHV-UHFFFAOYSA-N 0 0 313.321 0.965 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000069692641 665650906 /nfs/dbraw/zinc/65/09/06/665650906.db2.gz FLHGPMBMMZTECN-LBPRGKRZSA-N 0 0 307.460 0.697 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)s1 ZINC000311756343 659360094 /nfs/dbraw/zinc/36/00/94/659360094.db2.gz VTRZKKXLJYHIFS-DTWKUNHWSA-N 0 0 306.409 0.981 10 0 DCAERN COC(=O)c1cn(CN(C)[C@H]2CCCc3c2cnn3C)nn1 ZINC000162659069 659425630 /nfs/dbraw/zinc/42/56/30/659425630.db2.gz AFWJAHJMIDOVNM-LBPRGKRZSA-N 0 0 304.354 0.765 10 0 DCAERN CCO[C@@H]1C[C@@H]1COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000193257355 659433572 /nfs/dbraw/zinc/43/35/72/659433572.db2.gz HPZNIPUBXRDZKZ-IEVRTODYSA-N 0 0 308.334 0.065 10 0 DCAERN Cc1c(C(=O)N2CCSC[C@H]2S(C)(=O)=O)ccn1C ZINC000195277159 659541313 /nfs/dbraw/zinc/54/13/13/659541313.db2.gz MYWWKGKKMCAEBF-LLVKDONJSA-N 0 0 302.421 0.893 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ncccc1Br ZINC000310096801 659571672 /nfs/dbraw/zinc/57/16/72/659571672.db2.gz LUTVNNCWHMHZIQ-JTQLQIEISA-N 0 0 300.156 0.530 10 0 DCAERN COCc1cn(C2CCN(c3ncccc3C(N)=O)CC2)nn1 ZINC000019741787 659628481 /nfs/dbraw/zinc/62/84/81/659628481.db2.gz JRNCVVGXEIHPDK-UHFFFAOYSA-N 0 0 316.365 0.760 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccn2nnnc12 ZINC000896844187 662328292 /nfs/dbraw/zinc/32/82/92/662328292.db2.gz LKEYSJKMQFJMDH-LBPRGKRZSA-N 0 0 311.349 0.934 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000728708909 662413232 /nfs/dbraw/zinc/41/32/32/662413232.db2.gz JMKGGUXHRYNGQF-UHFFFAOYSA-N 0 0 309.366 0.549 10 0 DCAERN O=C(c1cccc(F)n1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179083764 662454923 /nfs/dbraw/zinc/45/49/23/662454923.db2.gz JYJMDWRURPQMDS-LBPRGKRZSA-N 0 0 321.352 0.932 10 0 DCAERN COC(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730097046 663044347 /nfs/dbraw/zinc/04/43/47/663044347.db2.gz YBEGHLQJOAVNAP-UHFFFAOYSA-N 0 0 306.318 0.481 10 0 DCAERN O=C(CN1CCCC1=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899071530 663123048 /nfs/dbraw/zinc/12/30/48/663123048.db2.gz HCUIPCZRPMHMIR-LBPRGKRZSA-N 0 0 303.366 0.551 10 0 DCAERN CC(C)NC(=O)CCNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900121106 663216653 /nfs/dbraw/zinc/21/66/53/663216653.db2.gz PVGJPAZYUGBROD-YOGCLGLASA-N 0 0 312.435 0.976 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NCCCn1ccnn1 ZINC000182976825 665945160 /nfs/dbraw/zinc/94/51/60/665945160.db2.gz ALZFCEXWBISLEN-UHFFFAOYSA-N 0 0 311.345 0.911 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000436117223 663416469 /nfs/dbraw/zinc/41/64/69/663416469.db2.gz WYLRJAILGZJPER-CQSZACIVSA-N 0 0 306.322 0.310 10 0 DCAERN Cn1cnc(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000170194842 663454632 /nfs/dbraw/zinc/45/46/32/663454632.db2.gz MQVLGXALAARRLH-UHFFFAOYSA-N 0 0 322.390 0.764 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCCC[C@H]1C ZINC000031468262 663583254 /nfs/dbraw/zinc/58/32/54/663583254.db2.gz BQFSNXDKKSRJAW-HUUCEWRRSA-N 0 0 303.406 0.366 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1[C@@H](CO)CC[C@@H]1CO ZINC000912228498 664153452 /nfs/dbraw/zinc/15/34/52/664153452.db2.gz PXCKQEGZPYXZOI-AAVRWANBSA-N 0 0 323.393 0.325 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N2CCOC[C@H]2CO)c1 ZINC000912418382 664173727 /nfs/dbraw/zinc/17/37/27/664173727.db2.gz MOKIBGRQGPGBBV-GFCCVEGCSA-N 0 0 308.334 0.400 10 0 DCAERN O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCOC[C@@H]1CO ZINC000912424004 664174664 /nfs/dbraw/zinc/17/46/64/664174664.db2.gz ZXJMGQRWTOKWLH-OCCSQVGLSA-N 0 0 310.394 0.387 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccnc1Cl ZINC000163731960 664357076 /nfs/dbraw/zinc/35/70/76/664357076.db2.gz OQDUGARWXWWFDJ-RKDXNWHRSA-N 0 0 324.768 0.786 10 0 DCAERN COCCN(CCO)c1ncc(I)cn1 ZINC000165206295 664405665 /nfs/dbraw/zinc/40/56/65/664405665.db2.gz XRJZHPFBAZBSKJ-UHFFFAOYSA-N 0 0 323.134 0.526 10 0 DCAERN CC(C)NC(=O)C1CCN(C(=O)c2nn3c(c2F)OCC3)CC1 ZINC000223846190 664426123 /nfs/dbraw/zinc/42/61/23/664426123.db2.gz MFRHJXBTNFCTDK-UHFFFAOYSA-N 0 0 324.356 0.791 10 0 DCAERN CCC[C@@H](OC)c1noc(C[C@H]2CS(=O)(=O)CCN2)n1 ZINC000227316393 664533044 /nfs/dbraw/zinc/53/30/44/664533044.db2.gz BWXRDOFTXSGPJV-VHSXEESVSA-N 0 0 303.384 0.486 10 0 DCAERN CC1(C)CC(=O)N(CN2CCN(c3cccnn3)CC2)C1=O ZINC000170638649 664583733 /nfs/dbraw/zinc/58/37/33/664583733.db2.gz PFEHONHTDDSNIQ-UHFFFAOYSA-N 0 0 303.366 0.341 10 0 DCAERN CCCN1C(=O)C(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000171361192 664607431 /nfs/dbraw/zinc/60/74/31/664607431.db2.gz XRXWNDDIQCJYJO-GFCCVEGCSA-N 0 0 319.365 0.715 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000061626609 664608579 /nfs/dbraw/zinc/60/85/79/664608579.db2.gz PAMOZURIEIAYNV-GHMZBOCLSA-N 0 0 309.309 0.953 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959920 664626063 /nfs/dbraw/zinc/62/60/63/664626063.db2.gz YWYAEAJRIOWDQB-UONOGXRCSA-N 0 0 324.425 0.461 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000173078173 664626725 /nfs/dbraw/zinc/62/67/25/664626725.db2.gz QWRNKVFOFCGCBX-NSHDSACASA-N 0 0 312.439 0.538 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC(F)(F)F ZINC000730308343 664682397 /nfs/dbraw/zinc/68/23/97/664682397.db2.gz DNCNFKJFGJSCDR-SSDOTTSWSA-N 0 0 314.285 0.130 10 0 DCAERN Cc1ccc2oc(=O)n(CN3CCS(=O)(=O)[C@H](C)C3)c2c1 ZINC000151604609 664708275 /nfs/dbraw/zinc/70/82/75/664708275.db2.gz LQPRCXOJXKMZOU-LLVKDONJSA-N 0 0 310.375 0.979 10 0 DCAERN O=C(Cn1ncc2ccccc21)OCC(=O)N1CCNC1=O ZINC000730637014 664798883 /nfs/dbraw/zinc/79/88/83/664798883.db2.gz BLBMHGVUDNGHKX-UHFFFAOYSA-N 0 0 302.290 0.131 10 0 DCAERN O=C(COC(=O)Cn1ncc2ccccc21)NC[C@@H]1CCCO1 ZINC000730637950 664799001 /nfs/dbraw/zinc/79/90/01/664799001.db2.gz RBAPMLLDPXBASG-ZDUSSCGKSA-N 0 0 317.345 0.875 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2=COCCC2)C1 ZINC000730850384 664820737 /nfs/dbraw/zinc/82/07/37/664820737.db2.gz XDVSUUCJMZCSKH-ZDUSSCGKSA-N 0 0 310.350 0.351 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000741421378 664836910 /nfs/dbraw/zinc/83/69/10/664836910.db2.gz ACTYDKOSYAZVTD-QFIPXVFZSA-N 0 0 322.394 0.861 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731682185 664877226 /nfs/dbraw/zinc/87/72/26/664877226.db2.gz HKYOENFVWXADJW-NWDGAFQWSA-N 0 0 317.455 0.451 10 0 DCAERN C=CC(=O)NCCNC(=O)CCc1nc2ccccc2oc1=O ZINC000732101467 664903997 /nfs/dbraw/zinc/90/39/97/664903997.db2.gz DZZCJAVVTUFVIF-UHFFFAOYSA-N 0 0 315.329 0.539 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N(C)C ZINC000732338968 664913538 /nfs/dbraw/zinc/91/35/38/664913538.db2.gz BGGVNAJCKMYQAW-GFCCVEGCSA-N 0 0 318.329 0.840 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NC2CCN(CCS(C)(=O)=O)CC2)O1 ZINC000153835896 665058635 /nfs/dbraw/zinc/05/86/35/665058635.db2.gz VOXDOSSLCFXQLG-AAEUAGOBSA-N 0 0 318.439 0.179 10 0 DCAERN C[C@@H](CSc1nnc(C(F)(F)F)n1N)CS(C)(=O)=O ZINC000154917020 665200249 /nfs/dbraw/zinc/20/02/49/665200249.db2.gz FYBWGAGVPMNLKX-YFKPBYRVSA-N 0 0 318.346 0.784 10 0 DCAERN CCO[C@H]1C[C@@H]1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182516 665315450 /nfs/dbraw/zinc/31/54/50/665315450.db2.gz XVQDIUJSMXIFBA-GJZGRUSLSA-N 0 0 324.421 0.899 10 0 DCAERN C=C(C)C[C@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000186299037 665388143 /nfs/dbraw/zinc/38/81/43/665388143.db2.gz SZKZTPBLPULCOW-RYUDHWBXSA-N 0 0 312.391 0.555 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)NCCCn2ccnn2)c1 ZINC000183515215 666059317 /nfs/dbraw/zinc/05/93/17/666059317.db2.gz MGMZBBKKSSBHQO-CQSZACIVSA-N 0 0 319.365 0.710 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCCCn1ccnn1 ZINC000183543717 666067271 /nfs/dbraw/zinc/06/72/71/666067271.db2.gz CUPMAMVFSPLLLX-ZDUSSCGKSA-N 0 0 319.365 0.710 10 0 DCAERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC(C(N)=O)C(N)=O ZINC000071832890 666171269 /nfs/dbraw/zinc/17/12/69/666171269.db2.gz VOXUQALEHYYVET-JTQLQIEISA-N 0 0 320.393 0.381 10 0 DCAERN O=C1c2cccc(F)c2N(CN2CCO[C@@]3(CCOC3)C2)C1=O ZINC000184278259 666193722 /nfs/dbraw/zinc/19/37/22/666193722.db2.gz HDGLVBIOUSOSLI-INIZCTEOSA-N 0 0 320.320 0.804 10 0 DCAERN O=C1c2ccccc2C(=O)N1CN1CCO[C@]2(CCOC2)C1 ZINC000184286643 666193947 /nfs/dbraw/zinc/19/39/47/666193947.db2.gz KPIPMAWHQJMXAU-MRXNPFEDSA-N 0 0 302.330 0.731 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCC[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000184423409 666205736 /nfs/dbraw/zinc/20/57/36/666205736.db2.gz WMDSBOJBPAFQDZ-GWJCSSMESA-N 0 0 322.361 0.600 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000733368296 666510637 /nfs/dbraw/zinc/51/06/37/666510637.db2.gz YMFZNOAYWYYMIQ-NSHDSACASA-N 0 0 304.412 0.327 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)NC1CCCCC1 ZINC000733965897 666833244 /nfs/dbraw/zinc/83/32/44/666833244.db2.gz LCOQMBWEQVVQFB-HXUWFJFHSA-N 0 0 303.428 0.503 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000733962186 666832273 /nfs/dbraw/zinc/83/22/73/666832273.db2.gz HQPWFOQLLLDERW-OAQYLSRUSA-N 0 0 313.375 0.965 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000733961426 666832304 /nfs/dbraw/zinc/83/23/04/666832304.db2.gz TVEVDSAYAFKNLW-UAXAAPNGSA-N 0 0 314.329 0.328 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2ccc(Br)nn2)C1 ZINC000701756251 666872876 /nfs/dbraw/zinc/87/28/76/666872876.db2.gz IGJVNAZSMYAXAL-JTQLQIEISA-N 0 0 301.144 0.056 10 0 DCAERN CCS(=O)(=O)CCN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000118398222 666948875 /nfs/dbraw/zinc/94/88/75/666948875.db2.gz AHKCJSFHVVPMFW-NSHDSACASA-N 0 0 316.427 0.491 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCNC(=O)c1ccco1 ZINC000735094287 666951220 /nfs/dbraw/zinc/95/12/20/666951220.db2.gz XRMYPJQGLGSHKZ-FQEVSTJZSA-N 0 0 301.368 0.077 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000735097455 666951700 /nfs/dbraw/zinc/95/17/00/666951700.db2.gz SLVFTCLPAJTKKD-JOCHJYFZSA-N 0 0 323.418 0.644 10 0 DCAERN CC[S@@](=O)CCNC(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000735113085 666954820 /nfs/dbraw/zinc/95/48/20/666954820.db2.gz SJBHMMZWQAUAKM-OAQYLSRUSA-N 0 0 311.407 0.696 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000735200446 666968444 /nfs/dbraw/zinc/96/84/44/666968444.db2.gz RETGRJIKIRHPRI-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)N1CCc2ccc(C)cc21 ZINC000735202584 666968624 /nfs/dbraw/zinc/96/86/24/666968624.db2.gz XBEPTBHRLRHRLP-OAQYLSRUSA-N 0 0 308.403 0.769 10 0 DCAERN COC[C@@H](O)CNC(=S)Nc1cc(OC)ccc1OC ZINC000735416614 666989011 /nfs/dbraw/zinc/98/90/11/666989011.db2.gz DANPIJXJFZXMSQ-VIFPVBQESA-N 0 0 300.380 0.998 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000702797541 666994296 /nfs/dbraw/zinc/99/42/96/666994296.db2.gz QYLJMYCERIXNGK-CMPLNLGQSA-N 0 0 322.365 0.434 10 0 DCAERN CCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702841434 667010239 /nfs/dbraw/zinc/01/02/39/667010239.db2.gz GPSADNBWPBSKIU-NXEZZACHSA-N 0 0 308.400 0.154 10 0 DCAERN Cn1ccnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1=O ZINC000702849797 667010567 /nfs/dbraw/zinc/01/05/67/667010567.db2.gz DWSXCLLCZONBID-GHMZBOCLSA-N 0 0 324.381 0.420 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(N)ccc2Cl)C1 ZINC000703009951 667029615 /nfs/dbraw/zinc/02/96/15/667029615.db2.gz NAEJCQTVZAPTTD-VIFPVBQESA-N 0 0 317.798 0.686 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccncc2F)cn1 ZINC000862924867 667093494 /nfs/dbraw/zinc/09/34/94/667093494.db2.gz TYCVLSPOVIILIY-QWHCGFSZSA-N 0 0 306.297 0.530 10 0 DCAERN CC(=O)N1C[C@@H](C(=O)NCc2noc(C)n2)Oc2ccccc21 ZINC000736091213 667101622 /nfs/dbraw/zinc/10/16/22/667101622.db2.gz FDGOBFDNTBAIIU-ZDUSSCGKSA-N 0 0 316.317 0.808 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C2(O)CCSCC2)C[C@@H]1C ZINC000119517430 667153672 /nfs/dbraw/zinc/15/36/72/667153672.db2.gz JLYPDZFDOWBCQD-NWDGAFQWSA-N 0 0 302.440 0.158 10 0 DCAERN C[C@@H]1CN(Cn2ncn(C(C)(C)C)c2=S)C[C@H](C(N)=O)O1 ZINC000120215406 667280577 /nfs/dbraw/zinc/28/05/77/667280577.db2.gz QBSWUZFBAZYBQL-NXEZZACHSA-N 0 0 313.427 0.701 10 0 DCAERN C[C@@H]1CN(Cn2nc(-c3cccs3)oc2=O)C[C@@H](C(N)=O)O1 ZINC000120267037 667290070 /nfs/dbraw/zinc/29/00/70/667290070.db2.gz PBVSMYVTZVDZKK-BDAKNGLRSA-N 0 0 324.362 0.097 10 0 DCAERN C[C@H](CCO)NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000121084429 667378665 /nfs/dbraw/zinc/37/86/65/667378665.db2.gz ZLMKYRVSIKCGNG-AYLMVEPYSA-N 0 0 312.391 0.958 10 0 DCAERN COc1ccc(Br)cc1C(=O)NCCNC(N)=O ZINC000121154041 667383680 /nfs/dbraw/zinc/38/36/80/667383680.db2.gz UFQLYLOWBKOTOF-UHFFFAOYSA-N 0 0 316.155 0.856 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccnc2Cl)CCS1(=O)=O ZINC000707408828 667438743 /nfs/dbraw/zinc/43/87/43/667438743.db2.gz RUKKDDKYUBSLEW-QMMMGPOBSA-N 0 0 324.811 0.543 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000707497544 667440686 /nfs/dbraw/zinc/44/06/86/667440686.db2.gz PNGCHIIOCQLFNP-SNVBAGLBSA-N 0 0 318.420 0.385 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708150588 667442012 /nfs/dbraw/zinc/44/20/12/667442012.db2.gz VZYDQAVOVCDPEJ-UHFFFAOYSA-N 0 0 305.444 0.954 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708240929 667442332 /nfs/dbraw/zinc/44/23/32/667442332.db2.gz LEIXRMKCGBNNPX-UHFFFAOYSA-N 0 0 304.412 0.628 10 0 DCAERN CC(C)(CNS(C)(=O)=O)Nc1ncncc1Br ZINC000708276155 667442480 /nfs/dbraw/zinc/44/24/80/667442480.db2.gz UCVTUBWWFIGIFT-UHFFFAOYSA-N 0 0 323.216 0.979 10 0 DCAERN Cn1cc(C(=O)NCc2c(Br)cnn2C)[nH]c1=O ZINC000708411016 667443058 /nfs/dbraw/zinc/44/30/58/667443058.db2.gz YWGIPSDXXGGCTA-UHFFFAOYSA-N 0 0 314.143 0.552 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600533 667445388 /nfs/dbraw/zinc/44/53/88/667445388.db2.gz IEMBYWGMVJFMMY-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccccc1Br ZINC000711184930 667452258 /nfs/dbraw/zinc/45/22/58/667452258.db2.gz MKWVMUGYZVROLR-ZETCQYMHSA-N 0 0 321.196 0.943 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1ccc(-c2ccccc2)n1C ZINC000135111948 667570573 /nfs/dbraw/zinc/57/05/73/667570573.db2.gz CZEJFUWZPLMPDL-AWEZNQCLSA-N 0 0 302.330 0.956 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(CN2CC(=O)N(CC)C2=O)C1 ZINC000122194023 667578453 /nfs/dbraw/zinc/57/84/53/667578453.db2.gz HBGSQJPUHHKICF-GFCCVEGCSA-N 0 0 310.398 0.609 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2cccc(F)c2F)CC1 ZINC000713982289 667603123 /nfs/dbraw/zinc/60/31/23/667603123.db2.gz ZYICXGREBWJFMO-UHFFFAOYSA-N 0 0 304.318 0.445 10 0 DCAERN COCC[N@H+]1[C@H](C)CN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1C ZINC000122414080 667626302 /nfs/dbraw/zinc/62/63/02/667626302.db2.gz KJOVNFGQMAGRAO-BETUJISGSA-N 0 0 307.394 0.865 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737847184 667635360 /nfs/dbraw/zinc/63/53/60/667635360.db2.gz NTAQFBPYQMDRHQ-NRFANRHFSA-N 0 0 310.354 0.905 10 0 DCAERN C[C@H](O)[C@@H](O)CNc1ccc(I)cn1 ZINC000717349170 667639031 /nfs/dbraw/zinc/63/90/31/667639031.db2.gz YEPAWIHACKGPTQ-XPUUQOCRSA-N 0 0 308.119 0.840 10 0 DCAERN COC(=O)c1ccc2c(cnn2CN(C)[C@H]2CCN(C)C2=O)c1 ZINC000738271017 667663788 /nfs/dbraw/zinc/66/37/88/667663788.db2.gz XJUXUCQIEHYRSV-AWEZNQCLSA-N 0 0 316.361 0.943 10 0 DCAERN COC(=O)c1ccc2c(cnn2CN(C)[C@@H]2CCN(C)C2=O)c1 ZINC000738271025 667664183 /nfs/dbraw/zinc/66/41/83/667664183.db2.gz XJUXUCQIEHYRSV-CQSZACIVSA-N 0 0 316.361 0.943 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000739874557 667722275 /nfs/dbraw/zinc/72/22/75/667722275.db2.gz MOMJVJQFZYUBQF-SECBINFHSA-N 0 0 321.255 0.251 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 ZINC000886035966 667726518 /nfs/dbraw/zinc/72/65/18/667726518.db2.gz VUQWASRFNAGDNB-NXEZZACHSA-N 0 0 311.773 0.538 10 0 DCAERN CN(C)c1ncc(CN2CCC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000886056835 667727358 /nfs/dbraw/zinc/72/73/58/667727358.db2.gz MQIPLUHSZNOGSO-HNNXBMFYSA-N 0 0 317.397 0.161 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2nncn2C2CC2)C1=O ZINC000886077692 667728885 /nfs/dbraw/zinc/72/88/85/667728885.db2.gz GHDYGSFPXRQBRX-LLVKDONJSA-N 0 0 307.354 0.579 10 0 DCAERN Cc1nnc([C@H]2CCCN(CC(=O)N3CCOCC3)[C@H]2C)o1 ZINC000886077675 667729094 /nfs/dbraw/zinc/72/90/94/667729094.db2.gz BKVOONCPUNXQFY-AAEUAGOBSA-N 0 0 308.382 0.805 10 0 DCAERN O=C([O-])[C@]1([NH+]2CCN(c3ncc(Cl)cn3)CC2)CCOC1 ZINC000886095485 667731515 /nfs/dbraw/zinc/73/15/15/667731515.db2.gz XWJATFQAPSHXOB-ZDUSSCGKSA-N 0 0 312.757 0.496 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1cn2ccsc2n1 ZINC000741076554 667758052 /nfs/dbraw/zinc/75/80/52/667758052.db2.gz TUWUSQIUEMOLMC-IBGZPJMESA-N 0 0 300.409 0.964 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000742072370 667779664 /nfs/dbraw/zinc/77/96/64/667779664.db2.gz DOSNXRPAFMINPU-FQEVSTJZSA-N 0 0 300.355 0.327 10 0 DCAERN CC(C)COCCC(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000742178992 667782261 /nfs/dbraw/zinc/78/22/61/667782261.db2.gz JCVQYUNTWPNSJE-GFCCVEGCSA-N 0 0 309.453 0.995 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccnc1-n1cncn1 ZINC000743133852 667803487 /nfs/dbraw/zinc/80/34/87/667803487.db2.gz WKGPNFZQTPZAOZ-OAQYLSRUSA-N 0 0 308.367 0.552 10 0 DCAERN CC(C)(C)n1cnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)n1 ZINC000887000100 667831169 /nfs/dbraw/zinc/83/11/69/667831169.db2.gz YKKMPSZAMKFCFQ-GHMZBOCLSA-N 0 0 308.382 0.693 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](CO)C1CCC1 ZINC000717596215 667869066 /nfs/dbraw/zinc/86/90/66/667869066.db2.gz TWFAIWQTYHRAKF-QWRGUYRKSA-N 0 0 307.437 0.184 10 0 DCAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000124941649 668169413 /nfs/dbraw/zinc/16/94/13/668169413.db2.gz RKVPZXDUFLVXED-VHSXEESVSA-N 0 0 302.421 0.702 10 0 DCAERN CCC(CC)[C@H](C(=O)OCCCC(N)=O)N1CCOCC1 ZINC000125128092 668217336 /nfs/dbraw/zinc/21/73/36/668217336.db2.gz YIEVXNRVUPRHIO-CQSZACIVSA-N 0 0 300.399 0.932 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)CCC2 ZINC000126442762 668595299 /nfs/dbraw/zinc/59/52/99/668595299.db2.gz KPYBEEJZHZYRKF-AWEZNQCLSA-N 0 0 308.403 0.891 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCF ZINC000126485212 668611535 /nfs/dbraw/zinc/61/15/35/668611535.db2.gz SAKOHNXINNIDHY-SECBINFHSA-N 0 0 313.354 0.589 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)CCO2 ZINC000126547894 668622781 /nfs/dbraw/zinc/62/27/81/668622781.db2.gz PZAQTMSACFSMLQ-LBPRGKRZSA-N 0 0 310.375 0.337 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccccc1 ZINC000126676378 668639664 /nfs/dbraw/zinc/63/96/64/668639664.db2.gz KPGQQDXCFNXCKM-GXTWGEPZSA-N 0 0 310.419 0.683 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000126751395 668654450 /nfs/dbraw/zinc/65/44/50/668654450.db2.gz PEHQCVHIBJHWPP-ZETCQYMHSA-N 0 0 304.133 0.715 10 0 DCAERN Cc1cc(C)c(O)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126863292 668672432 /nfs/dbraw/zinc/67/24/32/668672432.db2.gz YVYYFRIDCKWAEK-NSHDSACASA-N 0 0 312.391 0.724 10 0 DCAERN CCc1ccc(O)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126863826 668672588 /nfs/dbraw/zinc/67/25/88/668672588.db2.gz HNPQKKAMIHMIOI-NSHDSACASA-N 0 0 312.391 0.670 10 0 DCAERN CCc1ccc(O)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126863527 668672869 /nfs/dbraw/zinc/67/28/69/668672869.db2.gz HNPQKKAMIHMIOI-LLVKDONJSA-N 0 0 312.391 0.670 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)nn1 ZINC000932127576 669322265 /nfs/dbraw/zinc/32/22/65/669322265.db2.gz ZUCWMJXMJVWYPD-GFCCVEGCSA-N 0 0 303.370 0.984 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000131479177 669670882 /nfs/dbraw/zinc/67/08/82/669670882.db2.gz YUBLSZASSGTULR-AAEUAGOBSA-N 0 0 314.432 0.993 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(Cn2nc3cnccn3c2=O)C1 ZINC000132207119 669708802 /nfs/dbraw/zinc/70/88/02/669708802.db2.gz ONEJDRWUBJBPJY-LBPRGKRZSA-N 0 0 318.381 0.229 10 0 DCAERN Cn1ncc2c1nnn(CN1CCO[C@@H]3CCCC[C@@H]31)c2=O ZINC000132420427 669722926 /nfs/dbraw/zinc/72/29/26/669722926.db2.gz BUGDDSPSVRPJND-NWDGAFQWSA-N 0 0 304.354 0.126 10 0 DCAERN CCCN(C[C@H]1CCCCO1)Cn1nnc2c(cnn2C)c1=O ZINC000132585181 669733322 /nfs/dbraw/zinc/73/33/22/669733322.db2.gz AQQKUKOHWFGXPD-GFCCVEGCSA-N 0 0 320.397 0.764 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157385601 669921994 /nfs/dbraw/zinc/92/19/94/669921994.db2.gz FDZBQNQNQRLRTM-HTRCEHHLSA-N 0 0 300.746 0.097 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc([C@H]3CCCCS3)no2)C1 ZINC000157588426 669922463 /nfs/dbraw/zinc/92/24/63/669922463.db2.gz ZLOHSLRNSQDTQC-NXEZZACHSA-N 0 0 317.436 0.957 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000158916674 669930581 /nfs/dbraw/zinc/93/05/81/669930581.db2.gz VHBGVZKHZONBKF-VIFPVBQESA-N 0 0 318.160 0.902 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000159968856 669944945 /nfs/dbraw/zinc/94/49/45/669944945.db2.gz MYMONBNQCLRKTN-DZGCQCFKSA-N 0 0 306.362 0.856 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000187716446 669949487 /nfs/dbraw/zinc/94/94/87/669949487.db2.gz PYZXCIRGMYZBHE-BQYQJAHWSA-N 0 0 310.375 0.434 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000188955960 670069079 /nfs/dbraw/zinc/06/90/79/670069079.db2.gz CQMMOCKWJONGEU-CYBMUJFWSA-N 0 0 302.334 0.169 10 0 DCAERN CCC1=C(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCO1 ZINC000191877850 670113289 /nfs/dbraw/zinc/11/32/89/670113289.db2.gz MNOVFPGMHAFNFP-JTQLQIEISA-N 0 0 302.396 0.611 10 0 DCAERN CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(C)nn1 ZINC000712698308 670150890 /nfs/dbraw/zinc/15/08/90/670150890.db2.gz CWNGZDRVIUITKP-UHFFFAOYSA-N 0 0 301.368 0.749 10 0 DCAERN Cc1cc(C(=O)NCC2(S(N)(=O)=O)CC2)cc(C)c1F ZINC000713999043 670173065 /nfs/dbraw/zinc/17/30/65/670173065.db2.gz CIUUWZGWHDGQSR-UHFFFAOYSA-N 0 0 300.355 0.993 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)c1 ZINC000715982294 670229321 /nfs/dbraw/zinc/22/93/21/670229321.db2.gz DVQPYLGMRDMFDP-LLVKDONJSA-N 0 0 315.395 0.867 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000193219150 670253538 /nfs/dbraw/zinc/25/35/38/670253538.db2.gz DCTZQNNRQKJJRC-AAEUAGOBSA-N 0 0 306.362 0.713 10 0 DCAERN NC(=O)C1CC(NC(=O)c2cc(Br)cnc2F)C1 ZINC000716744167 670271399 /nfs/dbraw/zinc/27/13/99/670271399.db2.gz ATHOFJPXQOGRJE-UHFFFAOYSA-N 0 0 316.130 0.977 10 0 DCAERN Cn1nc([C@@H]2CC[C@H](C(F)(F)F)NC2)cc1S(N)(=O)=O ZINC000757571896 670280225 /nfs/dbraw/zinc/28/02/25/670280225.db2.gz NHSGBMHSVGNQLT-HTRCEHHLSA-N 0 0 312.317 0.465 10 0 DCAERN Cn1nc([C@H]2CC[C@@H](C(F)(F)F)NC2)cc1S(N)(=O)=O ZINC000757571905 670280417 /nfs/dbraw/zinc/28/04/17/670280417.db2.gz NHSGBMHSVGNQLT-XPUUQOCRSA-N 0 0 312.317 0.465 10 0 DCAERN Cn1nc(C(=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000757179946 670358461 /nfs/dbraw/zinc/35/84/61/670358461.db2.gz PELWIBVWRQQVTJ-NXEZZACHSA-N 0 0 310.354 0.874 10 0 DCAERN C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCN1CCO ZINC000194550122 670439101 /nfs/dbraw/zinc/43/91/01/670439101.db2.gz HGFHIAACWANTJZ-JTQLQIEISA-N 0 0 302.325 0.287 10 0 DCAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)C(F)=C1CCCC1 ZINC000818368771 671010197 /nfs/dbraw/zinc/01/01/97/671010197.db2.gz QRJYMMBMAIPFET-NSHDSACASA-N 0 0 321.356 0.841 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116257483 671030306 /nfs/dbraw/zinc/03/03/06/671030306.db2.gz UJZGJAVPTPVZHM-LBPRGKRZSA-N 0 0 305.382 0.840 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000117927664 671261298 /nfs/dbraw/zinc/26/12/98/671261298.db2.gz MNYYGLADVKHCTP-UHFFFAOYSA-N 0 0 317.802 0.865 10 0 DCAERN CNC(=O)[C@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000398477454 1158119551 /nfs/dbraw/zinc/11/95/51/1158119551.db2.gz BJRLFKZTKVSUPV-QMMMGPOBSA-N 0 0 314.183 0.996 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(Cn2cnc(C(=O)OC)n2)C1 ZINC000101538707 671772140 /nfs/dbraw/zinc/77/21/40/671772140.db2.gz QACRGVLYGNBDOP-NSHDSACASA-N 0 0 309.370 0.403 10 0 DCAERN Cc1noc(CCNC(=O)NC2CCC3(CC2)OCCO3)n1 ZINC000101785045 671783866 /nfs/dbraw/zinc/78/38/66/671783866.db2.gz ASECOYQETPBBKL-UHFFFAOYSA-N 0 0 310.354 0.905 10 0 DCAERN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)N1CCOCC1 ZINC000104773750 672012662 /nfs/dbraw/zinc/01/26/62/672012662.db2.gz FQOURCJNMWLIMZ-SNVBAGLBSA-N 0 0 316.304 0.746 10 0 DCAERN COCC(C)(C)CCNS(=O)(=O)N(C)CCC(=O)OC ZINC000718908928 685306691 /nfs/dbraw/zinc/30/66/91/685306691.db2.gz KEOWNFVVURKTAW-UHFFFAOYSA-N 0 0 310.416 0.378 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 ZINC000719054039 685307986 /nfs/dbraw/zinc/30/79/86/685307986.db2.gz IWFNGSCHBZWFSB-MRVPVSSYSA-N 0 0 321.786 0.457 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721844805 685318739 /nfs/dbraw/zinc/31/87/39/685318739.db2.gz DDSKGAYOIYTMGN-SSDOTTSWSA-N 0 0 317.187 0.811 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CO)c1C ZINC000722583587 685320084 /nfs/dbraw/zinc/32/00/84/685320084.db2.gz WNUVZBNEBCEMRK-GFCCVEGCSA-N 0 0 318.464 0.970 10 0 DCAERN C#CCN(C(=O)NCC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000091208865 685104567 /nfs/dbraw/zinc/10/45/67/685104567.db2.gz DKQRXDULJMPSGJ-QWHCGFSZSA-N 0 0 314.407 0.387 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C1 ZINC000091414190 685104632 /nfs/dbraw/zinc/10/46/32/685104632.db2.gz SZHHGNNODJCYRJ-UHFFFAOYSA-N 0 0 324.768 0.576 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000195518064 685154977 /nfs/dbraw/zinc/15/49/77/685154977.db2.gz BIUWVRZKVHINPV-OCCSQVGLSA-N 0 0 322.409 0.880 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246830222 685167223 /nfs/dbraw/zinc/16/72/23/685167223.db2.gz OKMGYKSHKXODOX-RYUDHWBXSA-N 0 0 305.444 0.545 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000248449518 685175281 /nfs/dbraw/zinc/17/52/81/685175281.db2.gz XRUAOOTVPUZHKG-KBPBESRZSA-N 0 0 320.393 0.807 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887317 685176917 /nfs/dbraw/zinc/17/69/17/685176917.db2.gz YBOLKUZQDRRSMB-JLNYLFASSA-N 0 0 310.394 0.507 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CO)c1nnnn1C1CC1 ZINC000249600830 685182623 /nfs/dbraw/zinc/18/26/23/685182623.db2.gz OBNGFAYLCKICHU-JBLDHEPKSA-N 0 0 308.386 0.919 10 0 DCAERN COCCN1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)C[C@H]1C ZINC000252735361 685186972 /nfs/dbraw/zinc/18/69/72/685186972.db2.gz LACRSWACRKJUOK-CJNGLKHVSA-N 0 0 322.405 0.908 10 0 DCAERN CCNC(=O)c1ccc(NCC(=O)NCc2ccccc2)nn1 ZINC000303315372 685205822 /nfs/dbraw/zinc/20/58/22/685205822.db2.gz RIVAPVODLLGYNG-UHFFFAOYSA-N 0 0 313.361 0.955 10 0 DCAERN Cc1cnn(CCNC(=O)c2c(Br)nnn2C)c1 ZINC000310754045 685217537 /nfs/dbraw/zinc/21/75/37/685217537.db2.gz KWRDUOXFJDJFKE-UHFFFAOYSA-N 0 0 313.159 0.513 10 0 DCAERN O=S1(=O)CCC[C@@H](NCc2nc(Br)c[nH]2)C1 ZINC000380732879 685237957 /nfs/dbraw/zinc/23/79/57/685237957.db2.gz QQRKQJNMAWNOMF-SSDOTTSWSA-N 0 0 308.201 0.839 10 0 DCAERN C[C@@H](CO)N(C)C(=O)c1cnn(C)c1I ZINC000382262769 685241136 /nfs/dbraw/zinc/24/11/36/685241136.db2.gz LJCJUAXDXXTBSY-LURJTMIESA-N 0 0 323.134 0.478 10 0 DCAERN CCOC(=O)c1csc(CN2CCCN(C)S2(=O)=O)n1 ZINC000386398381 685249368 /nfs/dbraw/zinc/24/93/68/685249368.db2.gz DAZODHKTFUGXIU-UHFFFAOYSA-N 0 0 319.408 0.702 10 0 DCAERN Cc1ncn(CC[C@@H]2CCNC2=O)c(=O)c1Br ZINC000395906437 1157936204 /nfs/dbraw/zinc/93/62/04/1157936204.db2.gz WECFHXCIMYSKJI-QMMMGPOBSA-N 0 0 300.156 0.840 10 0 DCAERN COCC1(O)CN(C(=O)c2cc(Br)ccc2N)C1 ZINC000394993396 1157942090 /nfs/dbraw/zinc/94/20/90/1157942090.db2.gz XPRNUTMFOGKNMA-UHFFFAOYSA-N 0 0 315.167 0.865 10 0 DCAERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O ZINC000380048141 1157996778 /nfs/dbraw/zinc/99/67/78/1157996778.db2.gz BNMVASIGSZDXQZ-UHFFFAOYSA-N 0 0 305.287 0.061 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC(O)(C(N)=O)CC1 ZINC000380410054 1158011426 /nfs/dbraw/zinc/01/14/26/1158011426.db2.gz TYKSURKQPPLSLP-UHFFFAOYSA-N 0 0 315.420 0.122 10 0 DCAERN CCOc1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441080 1171568122 /nfs/dbraw/zinc/56/81/22/1171568122.db2.gz XZDJXSMMOOZEJS-UHFFFAOYSA-N 0 0 303.318 0.952 10 0 DCAERN CNc1ncccc1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000070074890 1173812732 /nfs/dbraw/zinc/81/27/32/1173812732.db2.gz XZVDKRHJVQNKKK-UHFFFAOYSA-N 0 0 300.384 0.181 10 0 DCAERN O=C(COc1ccc(F)cc1Br)NC[C@@H](O)CO ZINC000090279706 1175390936 /nfs/dbraw/zinc/39/09/36/1175390936.db2.gz OWMANZMDMKDRLU-MRVPVSSYSA-N 0 0 322.130 0.436 10 0 DCAERN Nc1c(Cl)cccc1C(=O)NCCC(=O)N1CCOCC1 ZINC000123568225 1177042845 /nfs/dbraw/zinc/04/28/45/1177042845.db2.gz CEHMIXCGDLGFPQ-UHFFFAOYSA-N 0 0 311.769 0.901 10 0 DCAERN CC(=O)NCC(=O)NCCNc1ncccc1C(F)(F)F ZINC000125456903 1177170980 /nfs/dbraw/zinc/17/09/80/1177170980.db2.gz WDWJXXNVDIMPSH-UHFFFAOYSA-N 0 0 304.272 0.765 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(Br)cc1N ZINC000132672340 1177524340 /nfs/dbraw/zinc/52/43/40/1177524340.db2.gz QRAXUTVQLNGGMV-UHFFFAOYSA-N 0 0 301.144 0.429 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1cccc(Cl)c1N ZINC000230977152 1180555137 /nfs/dbraw/zinc/55/51/37/1180555137.db2.gz FKKMWKYUVHYSKF-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000160615028 1180749291 /nfs/dbraw/zinc/74/92/91/1180749291.db2.gz NGVHTQNWMUDNJZ-LLVKDONJSA-N 0 0 304.412 0.532 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@H](c2ncon2)C1 ZINC000238922294 1182445402 /nfs/dbraw/zinc/44/54/02/1182445402.db2.gz UDQBFHOKCLYXLX-NSHDSACASA-N 0 0 311.305 0.675 10 0 DCAERN COCCOCC(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000169851179 1183613331 /nfs/dbraw/zinc/61/33/31/1183613331.db2.gz LORYHJCDEQHKMR-UHFFFAOYSA-N 0 0 321.377 0.419 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000171872921 1183791492 /nfs/dbraw/zinc/79/14/92/1183791492.db2.gz YOZLUNNPXVKJQB-NSHDSACASA-N 0 0 301.350 0.416 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2cccnn2)CC1 ZINC000277179952 1187428425 /nfs/dbraw/zinc/42/84/25/1187428425.db2.gz ZNKLJZXHOAZFLL-AWEZNQCLSA-N 0 0 317.393 0.573 10 0 DCAERN Cc1noc([C@H](NC(=O)N(C[C@H](C)O)[C@@H](C)CO)C(C)C)n1 ZINC000190542582 1187956888 /nfs/dbraw/zinc/95/68/88/1187956888.db2.gz OJBLQHKYSZNLTG-JBLDHEPKSA-N 0 0 314.386 0.848 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC000192787748 1187963170 /nfs/dbraw/zinc/96/31/70/1187963170.db2.gz NWCGWXOFESZENS-NEPJUHHUSA-N 0 0 306.362 0.911 10 0 DCAERN O=C(c1nscc1Br)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000404941143 1190241399 /nfs/dbraw/zinc/24/13/99/1190241399.db2.gz LXWCZIPUKLKXEU-HTRCEHHLSA-N 0 0 321.196 0.721 10 0 DCAERN Nc1ncnc(NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000311767733 1190391834 /nfs/dbraw/zinc/39/18/34/1190391834.db2.gz GWZQCEMWOMSVBF-CYBMUJFWSA-N 0 0 300.366 0.767 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1COC[C@@H]1O ZINC000323091638 1190445439 /nfs/dbraw/zinc/44/54/39/1190445439.db2.gz YODRKFYZQHHVGY-AIIUZBJTSA-N 0 0 303.767 0.990 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000178127948 757939049 /nfs/dbraw/zinc/93/90/49/757939049.db2.gz PGXZKRLOWXHFLP-LBPRGKRZSA-N 0 0 301.346 0.707 10 0 DCAERN CCCNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000171002197 769562452 /nfs/dbraw/zinc/56/24/52/769562452.db2.gz WTNAZLNZOCYMBD-HNNXBMFYSA-N 0 0 304.350 0.950 10 0 DCAERN Cn1c2cc(CNC(=O)c3ccc(=O)[nH]n3)ccc2oc1=O ZINC000075014772 772102037 /nfs/dbraw/zinc/10/20/37/772102037.db2.gz ONBZSSRWRMEIGC-UHFFFAOYSA-N 0 0 300.274 0.557 10 0 DCAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695041401 968955100 /nfs/dbraw/zinc/95/51/00/968955100.db2.gz XGEUPWMVRHDHET-CYBMUJFWSA-N 0 0 304.412 0.599 10 0 DCAERN C[C@@]1(C(=O)[O-])CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000690819724 976337679 /nfs/dbraw/zinc/33/76/79/976337679.db2.gz WPTQGYVHCWPRCT-DGCLKSJQSA-N 0 0 304.412 0.455 10 0 DCAERN CS(=O)(=O)Cc1noc(CN(CCCCO)C2CC2)n1 ZINC000075766560 1173936236 /nfs/dbraw/zinc/93/62/36/1173936236.db2.gz XVPHZXHQZCSXNI-UHFFFAOYSA-N 0 0 303.384 0.351 10 0 DCAERN [NH3+]CCS[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000095611875 185382642 /nfs/dbraw/zinc/38/26/42/185382642.db2.gz YGRVYPXFDGWBLQ-SNVBAGLBSA-N 0 0 310.331 0.414 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000096658546 185385116 /nfs/dbraw/zinc/38/51/16/185385116.db2.gz FYDRBNMEMGQXSA-JTQLQIEISA-N 0 0 302.352 0.698 10 0 DCAERN CN(C(=O)Nc1ncnn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000181266627 199273987 /nfs/dbraw/zinc/27/39/87/199273987.db2.gz PWNYBIUQCVQURT-NSHDSACASA-N 0 0 316.369 0.738 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC(=O)Nc3ccccc32)n1 ZINC000083174729 185215816 /nfs/dbraw/zinc/21/58/16/185215816.db2.gz PZSLEFFHHJRHFU-UHFFFAOYSA-N 0 0 313.365 0.869 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@@H]1CCCO1 ZINC000131569234 529492596 /nfs/dbraw/zinc/49/25/96/529492596.db2.gz BZBLKIRPQZAADD-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN CCc1cc(C(=O)Nc2ncn(CC(=O)NC)n2)oc1CC ZINC000163244916 529521396 /nfs/dbraw/zinc/52/13/96/529521396.db2.gz VNDSIDJJAPSQRM-UHFFFAOYSA-N 0 0 305.338 0.994 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CNC(=O)C1 ZINC000089990240 185274954 /nfs/dbraw/zinc/27/49/54/185274954.db2.gz WNDFVLNFWDQFIT-YFKPBYRVSA-N 0 0 300.112 0.212 10 0 DCAERN COc1cccc(C(=O)NCC2(C(N)=O)CCOCC2)c1F ZINC000090184779 185286093 /nfs/dbraw/zinc/28/60/93/185286093.db2.gz ODFMHHIDRYUOTA-UHFFFAOYSA-N 0 0 310.325 0.846 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000286593547 219072736 /nfs/dbraw/zinc/07/27/36/219072736.db2.gz WHRWDDCDSCWBAX-GFCCVEGCSA-N 0 0 304.680 0.681 10 0 DCAERN CS(=O)(=O)c1ncc(C(N)=O)c(NCc2ccccc2)n1 ZINC000090585807 185305248 /nfs/dbraw/zinc/30/52/48/185305248.db2.gz KUSYGWFBFDTCBU-UHFFFAOYSA-N 0 0 306.347 0.591 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092421714 185317197 /nfs/dbraw/zinc/31/71/97/185317197.db2.gz ZLOIILBQRGSSMI-CQSZACIVSA-N 0 0 305.378 0.140 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000096997208 185395603 /nfs/dbraw/zinc/39/56/03/185395603.db2.gz KLEMYPGPEUOKAL-NSHDSACASA-N 0 0 324.402 0.975 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000408204112 297232209 /nfs/dbraw/zinc/23/22/09/297232209.db2.gz TVHCBHXSJMEMOK-UTUOFQBUSA-N 0 0 303.428 0.420 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C(N)=O)o2)C1 ZINC000276228346 529782898 /nfs/dbraw/zinc/78/28/98/529782898.db2.gz DVRVNLHUCPZYIX-GFCCVEGCSA-N 0 0 321.377 0.561 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N[C@H]1CCCn2ncnc21 ZINC000097013322 185397085 /nfs/dbraw/zinc/39/70/85/185397085.db2.gz XJZJTFFLMDJVRW-MNOVXSKESA-N 0 0 300.384 0.602 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000179279995 529902491 /nfs/dbraw/zinc/90/24/91/529902491.db2.gz HTUZXHFCTICPQA-AGIUHOORSA-N 0 0 324.425 0.696 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000179280004 529902765 /nfs/dbraw/zinc/90/27/65/529902765.db2.gz HTUZXHFCTICPQA-AVGNSLFASA-N 0 0 324.425 0.696 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C)c(F)c1)C(C)C ZINC000179082904 529918765 /nfs/dbraw/zinc/91/87/65/529918765.db2.gz BNLUWABOALNVMV-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCC2(CCO)CC2)cc1 ZINC000157267478 529944031 /nfs/dbraw/zinc/94/40/31/529944031.db2.gz VCRWSPJXWKSZJC-UHFFFAOYSA-N 0 0 312.391 0.487 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@@]1(CO)CCOC1 ZINC000329326202 282347609 /nfs/dbraw/zinc/34/76/09/282347609.db2.gz WLYLCPFGVRZTAQ-SQWLQELKSA-N 0 0 312.410 0.240 10 0 DCAERN Cc1nnc2ccc(N3CCO[C@@](C)(c4cnn(C)c4)C3)nn12 ZINC000268419658 282349497 /nfs/dbraw/zinc/34/94/97/282349497.db2.gz WTTOTRJUIGIKHB-OAHLLOKOSA-N 0 0 313.365 0.918 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)Cc1ccc(F)cc1 ZINC000187858746 530015954 /nfs/dbraw/zinc/01/59/54/530015954.db2.gz IMJZZIOBBCHHJG-UHFFFAOYSA-N 0 0 303.359 0.516 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COCC1CC1 ZINC000299638132 530033159 /nfs/dbraw/zinc/03/31/59/530033159.db2.gz HSYNXBTXPZMJNP-UHFFFAOYSA-N 0 0 324.402 0.910 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC2(CCO)CC2)[C@@H]1c1cccnc1 ZINC000187923439 530044911 /nfs/dbraw/zinc/04/49/11/530044911.db2.gz YUCZXGCZUUQBSW-ZFWWWQNUSA-N 0 0 317.389 0.880 10 0 DCAERN COC[C@@H]1CN(C(=O)CCC2CCN(C(C)=O)CC2)CCO1 ZINC000080471649 192159908 /nfs/dbraw/zinc/15/99/08/192159908.db2.gz OBNUCUOVPDOMEY-HNNXBMFYSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000407976161 299163280 /nfs/dbraw/zinc/16/32/80/299163280.db2.gz MNPUDJFLIXDOPF-TUAOUCFPSA-N 0 0 319.427 0.277 10 0 DCAERN Cc1n[nH]c(C)c1CCC(=O)N1CC[NH2+]C[C@H](CC(=O)[O-])C1 ZINC000071765492 191027919 /nfs/dbraw/zinc/02/79/19/191027919.db2.gz GHDWBUFBXNZPHT-LBPRGKRZSA-N 0 0 308.382 0.482 10 0 DCAERN C[C@H](CNC(=O)CS(=O)(=O)C1CCCC1)N1CCOCC1 ZINC000078870480 545684481 /nfs/dbraw/zinc/68/44/81/545684481.db2.gz QIWAJKSZYPCFJQ-GFCCVEGCSA-N 0 0 318.439 0.181 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000287106218 219318093 /nfs/dbraw/zinc/31/80/93/219318093.db2.gz ZHNIJZGNINKVLG-VIFPVBQESA-N 0 0 317.798 0.943 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000191645539 295809033 /nfs/dbraw/zinc/80/90/33/295809033.db2.gz KPBHTMBCSNWDOQ-SFYZADRCSA-N 0 0 323.358 0.634 10 0 DCAERN COc1cccc([C@H]2CN(CCCS(N)(=O)=O)CCO2)c1 ZINC000177909822 186202548 /nfs/dbraw/zinc/20/25/48/186202548.db2.gz KEEBLXVGHZUDEE-CQSZACIVSA-N 0 0 314.407 0.747 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(C(N)=O)cn2)CC[S@@]1=O ZINC000183878228 186226818 /nfs/dbraw/zinc/22/68/18/186226818.db2.gz JLRJPRGSFQNUKB-QFIPXVFZSA-N 0 0 323.418 0.944 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@H](n2cncn2)C1 ZINC000171666299 197963571 /nfs/dbraw/zinc/96/35/71/197963571.db2.gz HKHWULNGQCOETP-LBPRGKRZSA-N 0 0 317.349 0.855 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2cccc(CO)c2)cn1 ZINC000171711749 197971761 /nfs/dbraw/zinc/97/17/61/197971761.db2.gz OMOFCRDNIFNNGI-UHFFFAOYSA-N 0 0 317.349 0.443 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172200396 198057369 /nfs/dbraw/zinc/05/73/69/198057369.db2.gz GPOHOVCPZQLZJD-NWDGAFQWSA-N 0 0 314.411 0.400 10 0 DCAERN COCCN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C ZINC000172227080 198061181 /nfs/dbraw/zinc/06/11/81/198061181.db2.gz HYKKWYZICFLICF-NSHDSACASA-N 0 0 318.377 0.649 10 0 DCAERN COCCN1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000172272929 198069066 /nfs/dbraw/zinc/06/90/66/198069066.db2.gz HRRNRSISROSSJF-LBPRGKRZSA-N 0 0 320.393 0.970 10 0 DCAERN COCCN1CCN(C(=O)NCCn2cc(C)cn2)C[C@@H]1C ZINC000172291547 198072148 /nfs/dbraw/zinc/07/21/48/198072148.db2.gz QFYZNGQFCXPWQX-AWEZNQCLSA-N 0 0 309.414 0.554 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCC(C(C)(C)C)CC2)c1=O ZINC000172297921 198074539 /nfs/dbraw/zinc/07/45/39/198074539.db2.gz RKQSSIZSFNOCFV-UHFFFAOYSA-N 0 0 307.394 0.832 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)c1 ZINC000172390397 198089683 /nfs/dbraw/zinc/08/96/83/198089683.db2.gz WCEIRFAJXBAFSQ-NSHDSACASA-N 0 0 300.384 0.020 10 0 DCAERN CC1(C)COCCN1CCNC(=O)CNC(=O)c1ccccn1 ZINC000172539514 198111839 /nfs/dbraw/zinc/11/18/39/198111839.db2.gz ZEVBWOXABJISTD-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000172880007 198161645 /nfs/dbraw/zinc/16/16/45/198161645.db2.gz KWXDOBATWXNEOO-SDDRHHMPSA-N 0 0 314.407 0.930 10 0 DCAERN O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000172940992 198169722 /nfs/dbraw/zinc/16/97/22/198169722.db2.gz UQNPGOCBEIMMJB-NEPJUHHUSA-N 0 0 302.330 0.520 10 0 DCAERN CC(C)Cc1nc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cs1 ZINC000173088646 198184044 /nfs/dbraw/zinc/18/40/44/198184044.db2.gz QFXKILXNZYZAON-UHFFFAOYSA-N 0 0 322.390 0.991 10 0 DCAERN COC(=O)c1ccc(Cl)c(CN2CCOC[C@H]2C(N)=O)c1 ZINC000182049373 199379319 /nfs/dbraw/zinc/37/93/19/199379319.db2.gz DNZXNAQIDGGWQK-LBPRGKRZSA-N 0 0 312.753 0.813 10 0 DCAERN Cc1nsc(N2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000173359429 198206353 /nfs/dbraw/zinc/20/63/53/198206353.db2.gz YWSUQPOIZNDUFX-SNVBAGLBSA-N 0 0 309.395 0.021 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173391478 198209752 /nfs/dbraw/zinc/20/97/52/198209752.db2.gz RFAXQIFRCHEFLQ-HZMBPMFUSA-N 0 0 306.410 0.953 10 0 DCAERN CCc1nc(C2(NCC(=O)N3CCNC3=O)CCCC2)no1 ZINC000173691821 198241753 /nfs/dbraw/zinc/24/17/53/198241753.db2.gz MIIBPXXWWYPBAZ-UHFFFAOYSA-N 0 0 307.354 0.543 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000173886920 198265553 /nfs/dbraw/zinc/26/55/53/198265553.db2.gz YHTNHFMJZRCIMM-TZMCWYRMSA-N 0 0 305.378 0.178 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174156963 198299411 /nfs/dbraw/zinc/29/94/11/198299411.db2.gz SHQIPPPMUBKBBB-QWHCGFSZSA-N 0 0 322.413 0.929 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)CNC(=O)c2ccccn2)CC1=O ZINC000174523635 198347309 /nfs/dbraw/zinc/34/73/09/198347309.db2.gz LNMQTKPLWGXMIE-LLVKDONJSA-N 0 0 318.377 0.327 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000174852783 198393510 /nfs/dbraw/zinc/39/35/10/198393510.db2.gz OWGZYNMIJXFELD-KOLCDFICSA-N 0 0 300.384 0.401 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(O)Cc2ccccc2C1 ZINC000366538083 291003903 /nfs/dbraw/zinc/00/39/03/291003903.db2.gz XPEQSWKAOWSHMT-GXFFZTMASA-N 0 0 309.387 0.066 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821262 283030746 /nfs/dbraw/zinc/03/07/46/283030746.db2.gz HCLNKQVIPJNCJH-OLZOCXBDSA-N 0 0 303.428 0.168 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCOc3ccccc32)C1 ZINC000077761711 191771229 /nfs/dbraw/zinc/77/12/29/191771229.db2.gz GJEQNYVXPMIHOG-GFCCVEGCSA-N 0 0 303.362 0.609 10 0 DCAERN CC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000077778118 191774693 /nfs/dbraw/zinc/77/46/93/191774693.db2.gz VPVNCGYKPSHJSE-QWHCGFSZSA-N 0 0 307.398 0.906 10 0 DCAERN CN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000177282770 198698805 /nfs/dbraw/zinc/69/88/05/198698805.db2.gz IXVPKHGZGRUCJC-GFCCVEGCSA-N 0 0 307.398 0.858 10 0 DCAERN CN(Cc1ccc(Cl)nc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000080915063 192200623 /nfs/dbraw/zinc/20/06/23/192200623.db2.gz IQUVLJVEWHVNEX-UHFFFAOYSA-N 0 0 308.769 0.764 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177473202 198730621 /nfs/dbraw/zinc/73/06/21/198730621.db2.gz WMZPDIYTAPVWBL-GFCCVEGCSA-N 0 0 321.352 0.881 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000177616897 198752125 /nfs/dbraw/zinc/75/21/25/198752125.db2.gz RRBXKGPKLDJSHJ-DGCLKSJQSA-N 0 0 318.381 0.388 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000178417910 198863883 /nfs/dbraw/zinc/86/38/83/198863883.db2.gz YTMMRSNZFHHSGB-HNNXBMFYSA-N 0 0 320.393 0.561 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000106921549 283274232 /nfs/dbraw/zinc/27/42/32/283274232.db2.gz SVTCPNMLIYPEOF-NEPJUHHUSA-N 0 0 306.428 0.732 10 0 DCAERN COC(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000178960960 198960740 /nfs/dbraw/zinc/96/07/40/198960740.db2.gz AVQKZYQNOCCXSM-QWRGUYRKSA-N 0 0 307.354 0.850 10 0 DCAERN COc1ccc(-c2nnc(S[C@H]3CCNC3=O)n2N)cc1 ZINC000179085119 198979954 /nfs/dbraw/zinc/97/99/54/198979954.db2.gz FYSMVIVMJJRGOD-JTQLQIEISA-N 0 0 305.363 0.648 10 0 DCAERN COCCN1CCN(C(=O)NCc2cnn(C)c2C)C[C@H]1C ZINC000179352385 199020377 /nfs/dbraw/zinc/02/03/77/199020377.db2.gz LXXIFIORTSCBPQ-GFCCVEGCSA-N 0 0 309.414 0.591 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCC[C@@H]2CSC)cn1 ZINC000179439456 199035544 /nfs/dbraw/zinc/03/55/44/199035544.db2.gz WAKLRBNNYFPJCV-LLVKDONJSA-N 0 0 311.411 0.988 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000179789831 199080922 /nfs/dbraw/zinc/08/09/22/199080922.db2.gz IVGMSIYGFKNFLR-DGCLKSJQSA-N 0 0 314.407 0.842 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000246877951 283318645 /nfs/dbraw/zinc/31/86/45/283318645.db2.gz ATISMYDKVDWVSL-TZMCWYRMSA-N 0 0 319.409 0.661 10 0 DCAERN CCN1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc21 ZINC000180127470 199120092 /nfs/dbraw/zinc/12/00/92/199120092.db2.gz LUKOIYLFXYDKRP-JTQLQIEISA-N 0 0 302.334 0.458 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)c1ccnc(C2CC2)n1 ZINC000180133974 199121358 /nfs/dbraw/zinc/12/13/58/199121358.db2.gz LKGRCAXTHPTLLU-UHFFFAOYSA-N 0 0 320.393 0.666 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)[nH]n2)o1 ZINC000180208701 199130602 /nfs/dbraw/zinc/13/06/02/199130602.db2.gz HTVJBKTYCWDRKZ-LLVKDONJSA-N 0 0 304.306 0.304 10 0 DCAERN CCCN(C)c1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000180270005 199139811 /nfs/dbraw/zinc/13/98/11/199139811.db2.gz DMBTZVSDNOYQJV-CQSZACIVSA-N 0 0 305.378 0.859 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCCn1cc(C)cn1 ZINC000180347827 199148639 /nfs/dbraw/zinc/14/86/39/199148639.db2.gz AWMXLCBWWXAEGL-UHFFFAOYSA-N 0 0 320.397 0.995 10 0 DCAERN COCCCOCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000180450834 199159958 /nfs/dbraw/zinc/15/99/58/199159958.db2.gz ZNZJUEHJWPNUKE-UHFFFAOYSA-N 0 0 322.409 0.957 10 0 DCAERN CCCN1c2ccccc2[C@@]2(NC(=O)[C@H]3COCCN32)C1=O ZINC000180265938 283356668 /nfs/dbraw/zinc/35/66/68/283356668.db2.gz MYINPAPSGGEJAO-CJNGLKHVSA-N 0 0 301.346 0.427 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC000180855790 199218699 /nfs/dbraw/zinc/21/86/99/199218699.db2.gz KLRHQARDCDWEJV-JTQLQIEISA-N 0 0 317.436 0.914 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180822798 199212933 /nfs/dbraw/zinc/21/29/33/199212933.db2.gz GAZISWJDDDTRBY-AAEUAGOBSA-N 0 0 322.413 0.926 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000275526147 535426762 /nfs/dbraw/zinc/42/67/62/535426762.db2.gz BVNIUYKEFBJTPU-MELADBBJSA-N 0 0 304.394 0.934 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000152412645 237005950 /nfs/dbraw/zinc/00/59/50/237005950.db2.gz JOWAFULBMHKMAX-WBMJQRKESA-N 0 0 309.410 0.367 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155245110 237036811 /nfs/dbraw/zinc/03/68/11/237036811.db2.gz PLQHTOIRWUZOTK-NEPJUHHUSA-N 0 0 318.439 0.179 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCS1 ZINC000171573886 237133689 /nfs/dbraw/zinc/13/36/89/237133689.db2.gz HCNPQCIGHWJWFS-SECBINFHSA-N 0 0 307.379 0.094 10 0 DCAERN CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)(C)C ZINC000174411238 237171154 /nfs/dbraw/zinc/17/11/54/237171154.db2.gz BGTQAVUONRAYMN-WDEREUQCSA-N 0 0 306.428 0.876 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cnccn1 ZINC000177238006 237211944 /nfs/dbraw/zinc/21/19/44/237211944.db2.gz IBEACTMLEYEYBI-NSHDSACASA-N 0 0 305.382 0.034 10 0 DCAERN O=C(c1cncc(F)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000177542129 237214241 /nfs/dbraw/zinc/21/42/41/237214241.db2.gz LOILCQGBGTZXPA-LBPRGKRZSA-N 0 0 321.352 0.932 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C1(c2ccc(F)cc2)CC1 ZINC000178721696 237234155 /nfs/dbraw/zinc/23/41/55/237234155.db2.gz CCXBLVPTNVLYJR-HNNXBMFYSA-N 0 0 303.381 0.973 10 0 DCAERN Cn1nccc1NC(=O)C(=O)NCCOc1ccc(F)cc1F ZINC000178833578 237240194 /nfs/dbraw/zinc/24/01/94/237240194.db2.gz HIULIVAENUYKFL-UHFFFAOYSA-N 0 0 324.287 0.832 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000182503205 237270380 /nfs/dbraw/zinc/27/03/80/237270380.db2.gz KHBPTHDWNSFUPL-YIZRAAEISA-N 0 0 320.333 0.195 10 0 DCAERN Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000185816834 237305295 /nfs/dbraw/zinc/30/52/95/237305295.db2.gz DEGCIDYXNFRLEX-UHFFFAOYSA-N 0 0 319.386 0.977 10 0 DCAERN Cc1oc(C(=O)NC[C@@H]2CCC(C)(C)O2)cc1S(N)(=O)=O ZINC000187395278 200106751 /nfs/dbraw/zinc/10/67/51/200106751.db2.gz BCGSQBMIBTZQGF-VIFPVBQESA-N 0 0 316.379 0.923 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187711154 237354453 /nfs/dbraw/zinc/35/44/53/237354453.db2.gz CQVPOQXZEBGVJG-OAHLLOKOSA-N 0 0 305.422 0.610 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000188085302 237365132 /nfs/dbraw/zinc/36/51/32/237365132.db2.gz GFMRMZKDNCZKOC-CYBMUJFWSA-N 0 0 319.471 0.664 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](CO)C2)s1 ZINC000187936819 200178813 /nfs/dbraw/zinc/17/88/13/200178813.db2.gz KNTXNGFQUROVFS-MWLCHTKSSA-N 0 0 312.391 0.606 10 0 DCAERN COCc1cccc(CC(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188691794 237378314 /nfs/dbraw/zinc/37/83/14/237378314.db2.gz DVLRHXDQFAEQTP-AWEZNQCLSA-N 0 0 306.406 0.901 10 0 DCAERN COCCc1cc(NC(=O)N2CCN(C)C(=O)[C@@H]2C)n(C)n1 ZINC000189185042 237389080 /nfs/dbraw/zinc/38/90/80/237389080.db2.gz HJSUHLZTOCOTMD-JTQLQIEISA-N 0 0 309.370 0.303 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000189339489 237394990 /nfs/dbraw/zinc/39/49/90/237394990.db2.gz NZAPGZDELLVUJC-WCQYABFASA-N 0 0 318.439 0.684 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@H]1CCOC1 ZINC000281128083 216098543 /nfs/dbraw/zinc/09/85/43/216098543.db2.gz GPAAXNLUJFGSPG-IHRRRGAJSA-N 0 0 324.400 0.827 10 0 DCAERN O=C1CCCN1c1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000153692941 291208201 /nfs/dbraw/zinc/20/82/01/291208201.db2.gz DNNWNQXFGVMGJF-HNNXBMFYSA-N 0 0 320.389 0.885 10 0 DCAERN CCNC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 ZINC000155067018 291217511 /nfs/dbraw/zinc/21/75/11/291217511.db2.gz YZJJRXKHSWCPOI-AWEZNQCLSA-N 0 0 308.378 0.508 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000154879010 291216276 /nfs/dbraw/zinc/21/62/76/291216276.db2.gz OELBOVFBSMHEDW-YPMHNXCESA-N 0 0 307.398 0.994 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000155110571 291218077 /nfs/dbraw/zinc/21/80/77/291218077.db2.gz HJCDWXIJPDITCU-ZDUSSCGKSA-N 0 0 318.377 0.005 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000158308611 291231007 /nfs/dbraw/zinc/23/10/07/291231007.db2.gz DOBPOISLGGALPU-LBPRGKRZSA-N 0 0 322.361 0.996 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2C[C@H](F)C[C@H]2C(N)=O)NC1=O ZINC000286645924 291241961 /nfs/dbraw/zinc/24/19/61/291241961.db2.gz CNCSKBSNICNQOU-XLDPMVHQSA-N 0 0 321.308 0.444 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000271920080 209324718 /nfs/dbraw/zinc/32/47/18/209324718.db2.gz KDNTWUUOLDIOIR-XXILOJSOSA-N 0 0 318.381 0.584 10 0 DCAERN Cc1c(NC(=O)C[C@@H]2NC(=O)NC2=O)cnn1-c1ccccc1 ZINC000161715963 291242832 /nfs/dbraw/zinc/24/28/32/291242832.db2.gz RXBONHSYHKUIDO-NSHDSACASA-N 0 0 313.317 0.717 10 0 DCAERN Cc1csc2ncc(C(=O)N3CCN(C4CC4)CC3)c(=O)n12 ZINC000271895699 209304868 /nfs/dbraw/zinc/30/48/68/209304868.db2.gz UZLMRZQFCKGCJQ-UHFFFAOYSA-N 0 0 318.402 0.985 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c1 ZINC000313657155 291252345 /nfs/dbraw/zinc/25/23/45/291252345.db2.gz YWAUHLIMWPAESX-AWEZNQCLSA-N 0 0 313.375 0.397 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000408079711 283622973 /nfs/dbraw/zinc/62/29/73/283622973.db2.gz NUAKBIBLOKBVHA-WZRBSPASSA-N 0 0 318.439 0.730 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N3CC(C)(C(N)=O)C3)ccc21 ZINC000566185966 291278986 /nfs/dbraw/zinc/27/89/86/291278986.db2.gz BNQOUYXZMSNKAY-UHFFFAOYSA-N 0 0 316.361 0.935 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@H]1CCc2n[nH]cc2C1 ZINC000408355718 239266265 /nfs/dbraw/zinc/26/62/65/239266265.db2.gz NVLMCMPRNRTZHD-WDEREUQCSA-N 0 0 301.354 0.173 10 0 DCAERN CO[C@H]1COCC[C@H]1CC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000566458746 291303627 /nfs/dbraw/zinc/30/36/27/291303627.db2.gz ZHZDAJQHLRHJHJ-AAEUAGOBSA-N 0 0 324.381 0.589 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCN(C4CC4)CC3)cnc12 ZINC000091039934 192975592 /nfs/dbraw/zinc/97/55/92/192975592.db2.gz HSUCTIVFGZRSCT-UHFFFAOYSA-N 0 0 312.373 0.923 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2nc(OC)cc(OC)n2)CC12COC2 ZINC000450573677 240635428 /nfs/dbraw/zinc/63/54/28/240635428.db2.gz YBQQHDPYEYBKQA-JTQLQIEISA-N 0 0 323.349 0.510 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)N(CC)CC)CC12COC2 ZINC000451619905 240665195 /nfs/dbraw/zinc/66/51/95/240665195.db2.gz LGWVWELKNNFQLC-NSHDSACASA-N 0 0 320.411 0.085 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCSC2)CC12COC2 ZINC000454574450 240795010 /nfs/dbraw/zinc/79/50/10/240795010.db2.gz BKGBAIJCWXPCKS-MNOVXSKESA-N 0 0 314.407 0.713 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000091785071 193107669 /nfs/dbraw/zinc/10/76/69/193107669.db2.gz XROBPFZHLLPYPY-CYBMUJFWSA-N 0 0 300.318 0.403 10 0 DCAERN Cc1nc(-c2c[nH]c(C(=O)N3CCOC[C@H]3C(N)=O)c2)cs1 ZINC000091783461 193107739 /nfs/dbraw/zinc/10/77/39/193107739.db2.gz JGOKFYDVARWYEA-LBPRGKRZSA-N 0 0 320.374 0.773 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@@H]1Cn1ccnc1 ZINC000290478915 296084254 /nfs/dbraw/zinc/08/42/54/296084254.db2.gz VGKDDIZQHSOMAM-GBJTYRQASA-N 0 0 305.378 0.926 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@H](C)O2)c1 ZINC000457429970 241005165 /nfs/dbraw/zinc/00/51/65/241005165.db2.gz JRWKVWRPKCUIQU-CMPLNLGQSA-N 0 0 312.391 0.892 10 0 DCAERN O=C(NCCCOc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000457540747 241013716 /nfs/dbraw/zinc/01/37/16/241013716.db2.gz JKEGDGBSMOPDDH-ZDUSSCGKSA-N 0 0 319.365 0.407 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCCO1 ZINC000457747806 241033870 /nfs/dbraw/zinc/03/38/70/241033870.db2.gz AGWKIOXUFKIPMS-PGUXBMHVSA-N 0 0 314.382 0.518 10 0 DCAERN Cc1ccccc1C[C@@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457882696 241046144 /nfs/dbraw/zinc/04/61/44/241046144.db2.gz NCKIXZBWPJKCSZ-HIFRSBDPSA-N 0 0 317.393 0.878 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000408335388 291380975 /nfs/dbraw/zinc/38/09/75/291380975.db2.gz HDRAKBOGOMQQDV-RVMXOQNASA-N 0 0 318.439 0.682 10 0 DCAERN Cc1cccc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)c1 ZINC000092228654 193176201 /nfs/dbraw/zinc/17/62/01/193176201.db2.gz PQQRGYBNAMJLSL-GFCCVEGCSA-N 0 0 302.334 0.731 10 0 DCAERN CC(C)CNC(=O)c1cccc(CN2CCOC[C@H]2C(N)=O)c1 ZINC000092231026 193177340 /nfs/dbraw/zinc/17/73/40/193177340.db2.gz YVSLKFIHIWCPAK-HNNXBMFYSA-N 0 0 319.405 0.759 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccccc1Cl ZINC000092229769 193177651 /nfs/dbraw/zinc/17/76/51/193177651.db2.gz BAZMLIDHGYXNDT-LBPRGKRZSA-N 0 0 311.769 0.855 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)C2)n1 ZINC000282245743 216853982 /nfs/dbraw/zinc/85/39/82/216853982.db2.gz OIAGFELPMJYFMQ-YUSALJHKSA-N 0 0 321.381 0.934 10 0 DCAERN Cc1nc([C@@](C)(NC(=O)CS(=O)(=O)N(C)C)C2CC2)no1 ZINC000569495961 291482698 /nfs/dbraw/zinc/48/26/98/291482698.db2.gz BYFCEHCFHINXDR-LBPRGKRZSA-N 0 0 316.383 0.011 10 0 DCAERN COC(=O)[C@@H]1COCCN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000373858493 291491626 /nfs/dbraw/zinc/49/16/26/291491626.db2.gz HYFPUCSIMYLDRQ-JTQLQIEISA-N 0 0 304.306 0.280 10 0 DCAERN O=C(NC1CCC1)[C@H]1CCC2(CN(C(=O)c3ccno3)C2)O1 ZINC000096239506 193595901 /nfs/dbraw/zinc/59/59/01/193595901.db2.gz KANRYOXXKXYNQE-LLVKDONJSA-N 0 0 305.334 0.717 10 0 DCAERN CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000571362441 291511055 /nfs/dbraw/zinc/51/10/55/291511055.db2.gz QVFFNFHLKRPURD-DYVFJYSZSA-N 0 0 323.437 0.613 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000571430961 291513952 /nfs/dbraw/zinc/51/39/52/291513952.db2.gz HBUJVRVHUJCXED-XQQFMLRXSA-N 0 0 317.393 0.878 10 0 DCAERN CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000264820198 204181667 /nfs/dbraw/zinc/18/16/67/204181667.db2.gz YTGLSDPWBUOVIX-CQSZACIVSA-N 0 0 303.362 0.729 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC(=O)N1C ZINC000282500905 217042219 /nfs/dbraw/zinc/04/22/19/217042219.db2.gz NVCVTGBJZFOHAJ-SECBINFHSA-N 0 0 318.333 0.712 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000282562132 217090133 /nfs/dbraw/zinc/09/01/33/217090133.db2.gz OINUZXWDIXTKMG-APPZFPTMSA-N 0 0 303.771 0.680 10 0 DCAERN C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCS1(=O)=O ZINC000265698308 204808180 /nfs/dbraw/zinc/80/81/80/204808180.db2.gz PQZUFFFCSXNPGA-LLVKDONJSA-N 0 0 322.386 0.288 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000265678228 204793213 /nfs/dbraw/zinc/79/32/13/204793213.db2.gz IRYQBGARLNHNPA-SNVBAGLBSA-N 0 0 311.359 0.717 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000282721828 217200396 /nfs/dbraw/zinc/20/03/96/217200396.db2.gz ZHQYOKUZTFRBOG-JOYOIKCWSA-N 0 0 300.355 0.912 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CC2)n1 ZINC000282720989 217201144 /nfs/dbraw/zinc/20/11/44/217201144.db2.gz QGWHWOMFVADSFW-OUCADQQQSA-N 0 0 320.393 0.947 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306431 220074452 /nfs/dbraw/zinc/07/44/52/220074452.db2.gz XILWQZXTNHNLBL-OLZOCXBDSA-N 0 0 317.393 0.481 10 0 DCAERN C[C@@H](O)C[C@H]1CCCCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408105829 296194198 /nfs/dbraw/zinc/19/41/98/296194198.db2.gz QTYZPNSPNBPHOQ-VXGBXAGGSA-N 0 0 306.428 0.420 10 0 DCAERN CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)CC1 ZINC000016901582 182063081 /nfs/dbraw/zinc/06/30/81/182063081.db2.gz HDMIISXGQZQEKN-AWEZNQCLSA-N 0 0 317.345 0.188 10 0 DCAERN CNC(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OC)cc1 ZINC000020120323 182189449 /nfs/dbraw/zinc/18/94/49/182189449.db2.gz UWSRUHBDEKKJAG-UHFFFAOYSA-N 0 0 323.374 0.812 10 0 DCAERN O=C(NC[C@H]1CCC(F)(F)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000572871451 291595175 /nfs/dbraw/zinc/59/51/75/291595175.db2.gz ABPCPOUFJXTMHG-NSHDSACASA-N 0 0 315.364 0.845 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@](C)(OC)C3CC3)CC2)ncn1 ZINC000573416293 291630465 /nfs/dbraw/zinc/63/04/65/291630465.db2.gz YEKQDSDVOBXNCK-MRXNPFEDSA-N 0 0 320.393 0.949 10 0 DCAERN CN1CCN(S(=O)(=O)c2cc(N)cc(Cl)c2F)CC1 ZINC000037054509 182864343 /nfs/dbraw/zinc/86/43/43/182864343.db2.gz NCTOXJVNDWIKCC-UHFFFAOYSA-N 0 0 307.778 0.997 10 0 DCAERN NC(=S)c1cccc(CS(=O)(=O)NC2CCOCC2)c1 ZINC000038005346 182960339 /nfs/dbraw/zinc/96/03/39/182960339.db2.gz BQQBBRYKBCWYTN-UHFFFAOYSA-N 0 0 314.432 0.919 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@@H](NC(N)=O)[C@H](C)CC ZINC000038020936 182967230 /nfs/dbraw/zinc/96/72/30/182967230.db2.gz JGQDDTBHMYOEJS-PWSUYJOCSA-N 0 0 301.387 0.871 10 0 DCAERN COC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000038107787 182991523 /nfs/dbraw/zinc/99/15/23/182991523.db2.gz UIQICZWYOMAIOC-ZETCQYMHSA-N 0 0 317.754 0.828 10 0 DCAERN COCCS(=O)(=O)Nc1cccc(OCC(N)=S)c1 ZINC000042809350 183311127 /nfs/dbraw/zinc/31/11/27/183311127.db2.gz ANZWGLYHOOGXKZ-UHFFFAOYSA-N 0 0 304.393 0.740 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 ZINC000102328213 193875282 /nfs/dbraw/zinc/87/52/82/193875282.db2.gz GSKJKHKVXBPRHV-AWEZNQCLSA-N 0 0 303.362 0.673 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2(CC(N)=O)CCC2)C1 ZINC000408437079 297361407 /nfs/dbraw/zinc/36/14/07/297361407.db2.gz OQJGKYIAQLSJLL-PHIMTYICSA-N 0 0 303.428 0.597 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2Br)C1 ZINC000274117332 211370344 /nfs/dbraw/zinc/37/03/44/211370344.db2.gz AFQLQTKQMZDZOZ-ZETCQYMHSA-N 0 0 316.155 0.818 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798728 194042422 /nfs/dbraw/zinc/04/24/22/194042422.db2.gz OVQSVHKVZBXMEY-KBPBESRZSA-N 0 0 311.357 0.489 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000105216464 194084849 /nfs/dbraw/zinc/08/48/49/194084849.db2.gz WTDACQITTMYRIS-JHJVBQTASA-N 0 0 310.402 0.075 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000105862245 194150060 /nfs/dbraw/zinc/15/00/60/194150060.db2.gz OKKVVCPBXDGEJH-RYUDHWBXSA-N 0 0 306.366 0.813 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)NCCC[C@@H]1CCCCO1 ZINC000273806306 211076830 /nfs/dbraw/zinc/07/68/30/211076830.db2.gz YWPLZFIKFOLDSL-NSHDSACASA-N 0 0 318.381 0.874 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3noc(C)n3)CC2)n1 ZINC000105868470 194152097 /nfs/dbraw/zinc/15/20/97/194152097.db2.gz QHOBUFXGCFQUPA-UHFFFAOYSA-N 0 0 304.354 0.889 10 0 DCAERN CC[C@@H](C(N)=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894454 194161012 /nfs/dbraw/zinc/16/10/12/194161012.db2.gz JMAJGUHCEXGGTA-HOCLYGCPSA-N 0 0 321.421 0.308 10 0 DCAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccccc1 ZINC000105888864 194159422 /nfs/dbraw/zinc/15/94/22/194159422.db2.gz RZZDUMIKDMZLOC-INIZCTEOSA-N 0 0 314.389 0.900 10 0 DCAERN COC[C@H](C)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000048252687 183632398 /nfs/dbraw/zinc/63/23/98/183632398.db2.gz DUEHHLUCHNCZQC-JTQLQIEISA-N 0 0 307.416 0.087 10 0 DCAERN Nc1ccc(Cl)c(C(=O)NC2CCS(=O)(=O)CC2)n1 ZINC000050703738 183800979 /nfs/dbraw/zinc/80/09/79/183800979.db2.gz PYSISYLKPANMTD-UHFFFAOYSA-N 0 0 303.771 0.624 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000109938398 194299028 /nfs/dbraw/zinc/29/90/28/194299028.db2.gz NDFJIAWUFOPLQX-LLVKDONJSA-N 0 0 309.366 0.798 10 0 DCAERN COCCN(C)S(=O)(=O)NCc1cccnc1N(C)C ZINC000110109866 194311040 /nfs/dbraw/zinc/31/10/40/194311040.db2.gz CAAYZUBMGNKYMK-UHFFFAOYSA-N 0 0 302.400 0.060 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110954268 194373264 /nfs/dbraw/zinc/37/32/64/194373264.db2.gz SKWDSIFYQKMKTA-OAHLLOKOSA-N 0 0 323.437 0.712 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082761 194389792 /nfs/dbraw/zinc/38/97/92/194389792.db2.gz KGIMUJWTMKCISE-UONOGXRCSA-N 0 0 311.382 0.552 10 0 DCAERN Cc1sc(=O)n(CC(=O)N(C)CC(=O)NC(C)(C)C)c1C ZINC000055134146 183966245 /nfs/dbraw/zinc/96/62/45/183966245.db2.gz YJMRZYMWKWAWBZ-UHFFFAOYSA-N 0 0 313.423 0.900 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000056984081 184023563 /nfs/dbraw/zinc/02/35/63/184023563.db2.gz DIGQXBSUUFWGSM-OLZOCXBDSA-N 0 0 321.381 0.150 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112196530 194438534 /nfs/dbraw/zinc/43/85/34/194438534.db2.gz QTORXFFHUOUBSB-QMMMGPOBSA-N 0 0 305.363 0.504 10 0 DCAERN Cn1nc(C(=O)N2CCC(Cn3cccn3)CC2)ccc1=O ZINC000062131012 184207733 /nfs/dbraw/zinc/20/77/33/184207733.db2.gz XWFMNZPZILMNFQ-UHFFFAOYSA-N 0 0 301.350 0.529 10 0 DCAERN NS(=O)(=O)Cc1ccc(N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000062962218 184262653 /nfs/dbraw/zinc/26/26/53/184262653.db2.gz DGVPXVRURCDQBP-NSHDSACASA-N 0 0 304.393 0.074 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccccc2)C[C@@H](C)O1 ZINC000063000968 184265679 /nfs/dbraw/zinc/26/56/79/184265679.db2.gz XVPACIOMYHLLOQ-BZPMIXESSA-N 0 0 314.407 0.664 10 0 DCAERN CS(=O)(=O)c1ccc(S[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000063131459 184272183 /nfs/dbraw/zinc/27/21/83/184272183.db2.gz YTDMNFSTDIZSLX-MNOVXSKESA-N 0 0 322.429 0.340 10 0 DCAERN CCNC(=O)c1ncn(C[C@H](O)c2ccc3c(c2)OCO3)n1 ZINC000065259602 184319310 /nfs/dbraw/zinc/31/93/10/184319310.db2.gz FOJSHBPHCLOAER-JTQLQIEISA-N 0 0 304.306 0.490 10 0 DCAERN COc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccn1 ZINC000112741997 194516114 /nfs/dbraw/zinc/51/61/14/194516114.db2.gz FMDSEFLZMHELPC-LLVKDONJSA-N 0 0 302.338 0.496 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000333202482 252693736 /nfs/dbraw/zinc/69/37/36/252693736.db2.gz ZQWASUVZSFFBKN-SYQHCUMBSA-N 0 0 321.421 0.808 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000333339437 252708685 /nfs/dbraw/zinc/70/86/85/252708685.db2.gz SLSBGPBBLFFNCC-IUODEOHRSA-N 0 0 318.377 0.536 10 0 DCAERN CC(C)[C@H]1N(C(=O)NCCN2CCOCC2)C[C@@]12CCCO2 ZINC000333685911 252752638 /nfs/dbraw/zinc/75/26/38/252752638.db2.gz BWYURVUKTITXMO-ZBFHGGJFSA-N 0 0 311.426 0.918 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@H]1C ZINC000329529338 285046416 /nfs/dbraw/zinc/04/64/16/285046416.db2.gz TVEQYCRLOQTRGW-LXTVHRRPSA-N 0 0 312.410 0.217 10 0 DCAERN c1nc(N2CCOCC2)sc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338962269 253015399 /nfs/dbraw/zinc/01/53/99/253015399.db2.gz LAJLWVXKYDURRQ-TXEJJXNPSA-N 0 0 311.407 0.579 10 0 DCAERN CCS(=O)(=O)c1ccc(NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000341525215 253390286 /nfs/dbraw/zinc/39/02/86/253390286.db2.gz CHXOIGJILMPJHR-SECBINFHSA-N 0 0 306.409 0.569 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@]2(C)CCCO2)C[C@@H]1c1cnn(C)c1 ZINC000286504867 219024993 /nfs/dbraw/zinc/02/49/93/219024993.db2.gz UMXYOENNJVPZGX-WWGRRREGSA-N 0 0 320.393 0.277 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000195247543 533101890 /nfs/dbraw/zinc/10/18/90/533101890.db2.gz HUYSBRPYEXIIOP-CHWSQXEVSA-N 0 0 317.411 0.257 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000345844419 253977487 /nfs/dbraw/zinc/97/74/87/253977487.db2.gz QUXZUGLUVHZDNP-RYUDHWBXSA-N 0 0 323.397 0.296 10 0 DCAERN Cn1nccc1CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346059660 254004810 /nfs/dbraw/zinc/00/48/10/254004810.db2.gz JNMJQJPEXMJDNE-OCCSQVGLSA-N 0 0 310.373 0.234 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346090679 254008582 /nfs/dbraw/zinc/00/85/82/254008582.db2.gz PVDCAISKDFMRPB-ZIAGYGMSSA-N 0 0 307.369 0.551 10 0 DCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)OC ZINC000251717725 220463481 /nfs/dbraw/zinc/46/34/81/220463481.db2.gz DSDJXGIJQNNMJA-HBNTYKKESA-N 0 0 301.387 0.773 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000347419331 254155421 /nfs/dbraw/zinc/15/54/21/254155421.db2.gz XATOILDIVYFBOZ-SNVBAGLBSA-N 0 0 301.346 0.960 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000177413572 220453974 /nfs/dbraw/zinc/45/39/74/220453974.db2.gz COHIHEBCTUMGAH-DGCLKSJQSA-N 0 0 321.352 0.716 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)NC(=O)NC(C)C)CC2)n[nH]1 ZINC000187171801 220457966 /nfs/dbraw/zinc/45/79/66/220457966.db2.gz HLPAIGBYPPXHKR-GFCCVEGCSA-N 0 0 322.413 0.463 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](F)C[C@H]2C(N)=O)ccc1-n1cncn1 ZINC000347243321 254141899 /nfs/dbraw/zinc/14/18/99/254141899.db2.gz VCZGHCPUNZSFLM-AAEUAGOBSA-N 0 0 317.324 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@@H](CO)O1 ZINC000347715231 254181838 /nfs/dbraw/zinc/18/18/38/254181838.db2.gz ZTSVLWILLYINEQ-PWSUYJOCSA-N 0 0 304.350 0.637 10 0 DCAERN COc1cc(OC)cc(C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350616243 254318938 /nfs/dbraw/zinc/31/89/38/254318938.db2.gz PIPCLZCZQFWNJU-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN C[C@@H](CNC(=O)c1cc(-c2cccs2)on1)S(N)(=O)=O ZINC000350627039 254320665 /nfs/dbraw/zinc/32/06/65/254320665.db2.gz CEFMGKBOGVOZHQ-ZETCQYMHSA-N 0 0 315.376 0.810 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350627432 254321124 /nfs/dbraw/zinc/32/11/24/254321124.db2.gz DORWFNJMEPSNIC-LLVKDONJSA-N 0 0 300.380 0.475 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CCCc2sccc21)S(N)(=O)=O ZINC000350629725 254321163 /nfs/dbraw/zinc/32/11/63/254321163.db2.gz RGALTCFSTDLXCH-WCBMZHEXSA-N 0 0 302.421 0.961 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350627942 254321244 /nfs/dbraw/zinc/32/12/44/254321244.db2.gz GVRKBKCLCOFSAZ-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)NC[C@H](C)S(N)(=O)=O)n1 ZINC000350629327 254321399 /nfs/dbraw/zinc/32/13/99/254321399.db2.gz NGKPZHILWQTTOJ-ZETCQYMHSA-N 0 0 320.802 0.660 10 0 DCAERN Cn1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000294668809 224155652 /nfs/dbraw/zinc/15/56/52/224155652.db2.gz SAIJHRPGUXHQHD-SNVBAGLBSA-N 0 0 309.395 0.845 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154589572 533197766 /nfs/dbraw/zinc/19/77/66/533197766.db2.gz FKBCKPVNVUPPAL-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408419900 291923495 /nfs/dbraw/zinc/92/34/95/291923495.db2.gz PNPRENBHFXGYHO-OUAUKWLOSA-N 0 0 322.452 0.757 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC(C)(C)O1 ZINC000328931977 285294636 /nfs/dbraw/zinc/29/46/36/285294636.db2.gz IDRUAHJUMCECHZ-QWRGUYRKSA-N 0 0 308.382 0.562 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000151906691 196745306 /nfs/dbraw/zinc/74/53/06/196745306.db2.gz TVKVHRLYEYJMQB-CYBMUJFWSA-N 0 0 307.394 0.562 10 0 DCAERN O=C(C1CCOCC1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000247959874 257113626 /nfs/dbraw/zinc/11/36/26/257113626.db2.gz POFYQRBEJNNAGM-TZMCWYRMSA-N 0 0 316.361 0.324 10 0 DCAERN CC(=O)N1CC[C@@]2(C1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000247935478 257114372 /nfs/dbraw/zinc/11/43/72/257114372.db2.gz LHHXAAROXQTYLH-AAEUAGOBSA-N 0 0 302.396 0.238 10 0 DCAERN CNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2Cc2cccnc2OC)O1 ZINC000247838323 257116162 /nfs/dbraw/zinc/11/61/62/257116162.db2.gz JXKREHZYYRBBFW-IHRRRGAJSA-N 0 0 305.378 0.958 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccc(C)n1 ZINC000247858550 257116277 /nfs/dbraw/zinc/11/62/77/257116277.db2.gz FBLTWAOVUGBGCK-ZIAGYGMSSA-N 0 0 323.418 0.915 10 0 DCAERN CS(=O)(=O)N[C@@H]1CN(Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247511909 257119167 /nfs/dbraw/zinc/11/91/67/257119167.db2.gz IOMCXTHWAVTNFZ-RDBSUJKOSA-N 0 0 311.407 0.363 10 0 DCAERN CCO[C@H]1Cn2cccc2CN(C(=O)CS(C)(=O)=O)C1 ZINC000253381471 257105858 /nfs/dbraw/zinc/10/58/58/257105858.db2.gz DWHSPAJHCGGNFO-LBPRGKRZSA-N 0 0 300.380 0.280 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132907988 545795575 /nfs/dbraw/zinc/79/55/75/545795575.db2.gz BQXRBBRBTBYKFZ-ZFWWWQNUSA-N 0 0 314.426 0.581 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(C)(C)C(N)=O ZINC000073752554 184932235 /nfs/dbraw/zinc/93/22/35/184932235.db2.gz BAEKAQXUYYQUOI-VIFPVBQESA-N 0 0 309.414 0.779 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CCC([C@H](O)C(N)=O)CC1 ZINC000299751308 533245605 /nfs/dbraw/zinc/24/56/05/533245605.db2.gz QHLQYCDXQWQVIA-FZMZJTMJSA-N 0 0 311.426 0.382 10 0 DCAERN C[C@@H]1CCC[C@@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334087408 296455896 /nfs/dbraw/zinc/45/58/96/296455896.db2.gz MOFXLWIISLEMNR-GFQSEFKGSA-N 0 0 309.370 0.068 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)CCSC1 ZINC000366048185 291982979 /nfs/dbraw/zinc/98/29/79/291982979.db2.gz WWWDOJJFSOSFRV-OXIWPEFWSA-N 0 0 315.391 0.203 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@]3(C)CCCO3)C2)c1=O ZINC000275652362 130355702 /nfs/dbraw/zinc/35/57/02/130355702.db2.gz KPZWYLNONJEFOO-LRDDRELGSA-N 0 0 320.393 0.434 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@](C)(O)C3)C2)n(C)n1 ZINC000278437540 130692331 /nfs/dbraw/zinc/69/23/31/130692331.db2.gz VDXIAOMSFPMHCZ-CZUORRHYSA-N 0 0 321.425 0.864 10 0 DCAERN O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1COC(=O)N1 ZINC000282949026 130948159 /nfs/dbraw/zinc/94/81/59/130948159.db2.gz HBNPJEILKJJRLS-CYBMUJFWSA-N 0 0 300.318 0.656 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc(OCC3CC3)cn2)[C@@H](C)C1 ZINC000283803609 131025670 /nfs/dbraw/zinc/02/56/70/131025670.db2.gz BGMSLOAFQIYXMC-NSHDSACASA-N 0 0 318.377 0.958 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ccn1 ZINC000283954501 131036399 /nfs/dbraw/zinc/03/63/99/131036399.db2.gz KHFWWYPAXKAWDT-KGLIPLIRSA-N 0 0 320.393 0.705 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)C[C@H]1C(N)=O ZINC000284424095 131080141 /nfs/dbraw/zinc/08/01/41/131080141.db2.gz FAKHWIFCHYVQAK-ZWNOBZJWSA-N 0 0 319.386 0.977 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530628 131089339 /nfs/dbraw/zinc/08/93/39/131089339.db2.gz PBDZHBSBQMJYCU-CHWSQXEVSA-N 0 0 305.378 0.949 10 0 DCAERN O=C(CCOCc1ccccc1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284542411 131090656 /nfs/dbraw/zinc/09/06/56/131090656.db2.gz FYIMBZMNRYPCHY-MRXNPFEDSA-N 0 0 316.361 0.832 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C[C@H]1C(N)=O ZINC000284610547 131096755 /nfs/dbraw/zinc/09/67/55/131096755.db2.gz OBBQHKJZXVVVNR-ZWNOBZJWSA-N 0 0 313.361 0.676 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccc2c(c1)OCO2 ZINC000284664176 131101968 /nfs/dbraw/zinc/10/19/68/131101968.db2.gz GHYIVSYXQSCFCM-WDEREUQCSA-N 0 0 302.290 0.377 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000284711526 131105412 /nfs/dbraw/zinc/10/54/12/131105412.db2.gz ZLCJKSRUWQXDDZ-OAHLLOKOSA-N 0 0 315.381 0.683 10 0 DCAERN Cn1cc(-c2cc(C[N@@H+]3CC[C@@H]4OCCN(C)[C@@H]4C3)on2)cn1 ZINC000284706232 131105432 /nfs/dbraw/zinc/10/54/32/131105432.db2.gz IUQDOGVKMZSOEF-CVEARBPZSA-N 0 0 317.393 0.980 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000284879584 131118662 /nfs/dbraw/zinc/11/86/62/131118662.db2.gz FHCDLZWHPDCVSD-SFYZADRCSA-N 0 0 318.146 0.826 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285023863 131131512 /nfs/dbraw/zinc/13/15/12/131131512.db2.gz OOQKSJJKBPOBQJ-WCFLWFBJSA-N 0 0 321.381 0.029 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000285088161 131136873 /nfs/dbraw/zinc/13/68/73/131136873.db2.gz PZNGGFHJFRSUDH-ZJUUUORDSA-N 0 0 304.318 0.721 10 0 DCAERN C[C@H]1OCCN(CC(=O)NCCC2=CCCCC2)[C@@H]1C(N)=O ZINC000285337970 131159032 /nfs/dbraw/zinc/15/90/32/131159032.db2.gz ZAFJMSYPPGSRTE-DOMZBBRYSA-N 0 0 309.410 0.568 10 0 DCAERN CC(C)(C(=O)N1CCC[C@](O)(C(N)=O)C1)c1cccc(F)c1 ZINC000285410405 131165463 /nfs/dbraw/zinc/16/54/63/131165463.db2.gz HLTXIHMYFHDMEJ-MRXNPFEDSA-N 0 0 308.353 0.942 10 0 DCAERN Cc1c(C(=O)N2CCC[C@](O)(C(N)=O)C2)[nH]c2c1C(=O)CCC2 ZINC000285406217 131165478 /nfs/dbraw/zinc/16/54/78/131165478.db2.gz HEXKYISFVVSESX-MRXNPFEDSA-N 0 0 319.361 0.295 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CCCc3c(O)cccc32)C1 ZINC000285538212 131178975 /nfs/dbraw/zinc/17/89/75/131178975.db2.gz NZUHSSIUJLWZIP-DYVFJYSZSA-N 0 0 318.373 0.651 10 0 DCAERN COc1ccccc1C1(C(=O)N2CCC[C@@](O)(C(N)=O)C2)CC1 ZINC000285639231 131188983 /nfs/dbraw/zinc/18/89/83/131188983.db2.gz TYUIJQVTSGJPGO-KRWDZBQOSA-N 0 0 318.373 0.566 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1C[C@H](F)C[C@@H]1CO ZINC000366659611 131344905 /nfs/dbraw/zinc/34/49/05/131344905.db2.gz IOCMTYXDEJFYJV-RRFJBIMHSA-N 0 0 320.364 0.966 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000290740944 131514046 /nfs/dbraw/zinc/51/40/46/131514046.db2.gz MTTZRKKCQCUSFI-QGZVFWFLSA-N 0 0 316.357 0.658 10 0 DCAERN OC[C@@H]1CN(c2ccc(I)cn2)CCO1 ZINC000294555590 131843370 /nfs/dbraw/zinc/84/33/70/131843370.db2.gz WXHHRZWOQAHTHT-VIFPVBQESA-N 0 0 320.130 0.884 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000120837509 132147238 /nfs/dbraw/zinc/14/72/38/132147238.db2.gz HQYCZRSXAFQYFT-UONOGXRCSA-N 0 0 305.382 0.678 10 0 DCAERN C[C@@H](C(=O)NCC1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122351610 132163201 /nfs/dbraw/zinc/16/32/01/132163201.db2.gz CFGAZLAWSKUKJY-MBNYWOFBSA-N 0 0 311.426 0.646 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000177648525 285524482 /nfs/dbraw/zinc/52/44/82/285524482.db2.gz UKEGVXMVCFLQCJ-WJLOJVBCSA-N 0 0 324.425 0.593 10 0 DCAERN O=C(c1ccncc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510326 134706427 /nfs/dbraw/zinc/70/64/27/134706427.db2.gz LSQGWKBWZZWVSY-UHFFFAOYSA-N 0 0 309.333 0.482 10 0 DCAERN CC(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013415750 395688552 /nfs/dbraw/zinc/68/85/52/395688552.db2.gz REXNPDYWUANMIX-KPWCQOOUSA-N 0 0 314.290 0.283 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000022755965 395692006 /nfs/dbraw/zinc/69/20/06/395692006.db2.gz AWFRPFGKRXXTRT-HNNXBMFYSA-N 0 0 317.389 0.330 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000000220908 395680035 /nfs/dbraw/zinc/68/00/35/395680035.db2.gz ZNQJZLMHBURYIW-LBPRGKRZSA-N 0 0 304.412 0.297 10 0 DCAERN C[C@H](CNC(=O)CNC(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000029960459 395700942 /nfs/dbraw/zinc/70/09/42/395700942.db2.gz ZJYBUYNHVJETIM-GFCCVEGCSA-N 0 0 323.368 0.392 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000089355674 395710374 /nfs/dbraw/zinc/71/03/74/395710374.db2.gz FHTSKDVZUOGEHY-NWDGAFQWSA-N 0 0 312.753 0.476 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C[C@@H]1O ZINC000089398466 395710901 /nfs/dbraw/zinc/71/09/01/395710901.db2.gz JBTGQMFISCRBBH-MQYQWHSLSA-N 0 0 322.405 0.781 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC(C)(O)C1 ZINC000089646330 395713899 /nfs/dbraw/zinc/71/38/99/395713899.db2.gz CXWWOYNNHLXPTL-UHFFFAOYSA-N 0 0 303.336 0.438 10 0 DCAERN O=C(Cn1cnnn1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000089855146 395715766 /nfs/dbraw/zinc/71/57/66/395715766.db2.gz LAXJNOGHWNBXPM-UHFFFAOYSA-N 0 0 323.303 0.773 10 0 DCAERN O=C(N1CCNC(=O)C1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090018522 395717801 /nfs/dbraw/zinc/71/78/01/395717801.db2.gz XNVQZZRBCQSGGH-UHFFFAOYSA-N 0 0 324.327 0.971 10 0 DCAERN NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2ccncc12 ZINC000033992998 395717872 /nfs/dbraw/zinc/71/78/72/395717872.db2.gz NFDGRKIZMVOVAX-UHFFFAOYSA-N 0 0 317.330 0.167 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000035177069 395719307 /nfs/dbraw/zinc/71/93/07/395719307.db2.gz SAVCDSKUESOWES-DCAQKATOSA-N 0 0 308.400 0.128 10 0 DCAERN CC[C@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000035610318 395721100 /nfs/dbraw/zinc/72/11/00/395721100.db2.gz NNDNLGFKRBVDTP-SECBINFHSA-N 0 0 305.352 0.732 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)NC1CCCCCC1 ZINC000038717400 395732485 /nfs/dbraw/zinc/73/24/85/395732485.db2.gz YFPKBKRLEJHSGU-UHFFFAOYSA-N 0 0 309.410 0.954 10 0 DCAERN C[C@@H](NC(=O)Cn1cccn1)c1ccc(S(N)(=O)=O)cc1 ZINC000040216126 395732644 /nfs/dbraw/zinc/73/26/44/395732644.db2.gz CBBBGYOYRFOBCZ-SNVBAGLBSA-N 0 0 308.363 0.408 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H](C)O1 ZINC000092013180 395728235 /nfs/dbraw/zinc/72/82/35/395728235.db2.gz OHFILZPAWWZMSF-MFKMUULPSA-N 0 0 309.366 0.479 10 0 DCAERN O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000092071281 395728744 /nfs/dbraw/zinc/72/87/44/395728744.db2.gz WMRZPFHNYZPXRY-CYBMUJFWSA-N 0 0 321.406 0.385 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@@H]1O ZINC000093050812 395735792 /nfs/dbraw/zinc/73/57/92/395735792.db2.gz WVOYIGNZULUNGW-APPZFPTMSA-N 0 0 305.787 0.709 10 0 DCAERN COCCN(Cc1cnc2nc(C)cc(C)n12)[C@@H](C)C(N)=O ZINC000093138327 395736571 /nfs/dbraw/zinc/73/65/71/395736571.db2.gz UOPIEZADOWETJC-LBPRGKRZSA-N 0 0 305.382 0.668 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C[C@H]1O ZINC000093351238 395738104 /nfs/dbraw/zinc/73/81/04/395738104.db2.gz QOAPWLMCFSPDBL-CHWSQXEVSA-N 0 0 321.425 0.959 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C[C@@H]1O ZINC000093348383 395738368 /nfs/dbraw/zinc/73/83/68/395738368.db2.gz MFFXMBRQBZJDDK-NEPJUHHUSA-N 0 0 307.398 0.917 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)N(C)c1ccccc1 ZINC000046951769 395783435 /nfs/dbraw/zinc/78/34/35/395783435.db2.gz RGYFBWKUELNSLR-JQWIXIFHSA-N 0 0 304.350 0.226 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000097973249 395761469 /nfs/dbraw/zinc/76/14/69/395761469.db2.gz CQKHENXHLAUMBH-KFFKLXLCSA-N 0 0 322.313 0.308 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1C ZINC000194142561 395789301 /nfs/dbraw/zinc/78/93/01/395789301.db2.gz AHWBZCAMNWBKBA-ZDUSSCGKSA-N 0 0 324.402 0.961 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C2CC2)CC1 ZINC000104333789 395778368 /nfs/dbraw/zinc/77/83/68/395778368.db2.gz CHPGUFSWSQFUAV-UHFFFAOYSA-N 0 0 315.377 0.180 10 0 DCAERN Cn1ncc(C(=O)NC[C@H]2CN(C)CCO2)c1-n1cccc1 ZINC000194617092 395802456 /nfs/dbraw/zinc/80/24/56/395802456.db2.gz KFEBPJGJEXYYAY-LBPRGKRZSA-N 0 0 303.366 0.271 10 0 DCAERN CCCN(CC(=O)OC)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000047952738 395803770 /nfs/dbraw/zinc/80/37/70/395803770.db2.gz CCAGSTRWCRCCGN-GHMZBOCLSA-N 0 0 308.400 0.225 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000118072528 395858233 /nfs/dbraw/zinc/85/82/33/395858233.db2.gz ADJGKRHGWFYNCP-UONOGXRCSA-N 0 0 309.414 0.600 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194827057 395809632 /nfs/dbraw/zinc/80/96/32/395809632.db2.gz VBGHSIFALLWUPW-LBPRGKRZSA-N 0 0 315.377 0.962 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194859935 395810567 /nfs/dbraw/zinc/81/05/67/395810567.db2.gz ZSQFVIHHFCVUKS-GFCCVEGCSA-N 0 0 313.361 0.571 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC000194953250 395811884 /nfs/dbraw/zinc/81/18/84/395811884.db2.gz SOWNOGBOXRKAGD-QLFBSQMISA-N 0 0 320.389 0.952 10 0 DCAERN COCCn1nc(C(=O)N[C@H]2COc3ccccc32)ccc1=O ZINC000195013896 395813316 /nfs/dbraw/zinc/81/33/16/395813316.db2.gz MTQCYVQQLACFKR-ZDUSSCGKSA-N 0 0 315.329 0.753 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC2CCSCC2)c1 ZINC000195139747 395817761 /nfs/dbraw/zinc/81/77/61/395817761.db2.gz QXDPKKNHGGTIIT-UHFFFAOYSA-N 0 0 300.405 0.959 10 0 DCAERN O=C(COCCOc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112651174 395820905 /nfs/dbraw/zinc/82/09/05/395820905.db2.gz FHJXHERFXZJJKZ-ZDUSSCGKSA-N 0 0 316.361 0.805 10 0 DCAERN CC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)COC1 ZINC000112753340 395824128 /nfs/dbraw/zinc/82/41/28/395824128.db2.gz KIDBOGLAJFDRFH-ZDUSSCGKSA-N 0 0 303.362 0.906 10 0 DCAERN CCC(C)(CC)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000112828164 395824959 /nfs/dbraw/zinc/82/49/59/395824959.db2.gz GCEWCTGYRFWEHE-UHFFFAOYSA-N 0 0 321.381 0.129 10 0 DCAERN NC(=O)c1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)nc1 ZINC000195446187 395827063 /nfs/dbraw/zinc/82/70/63/395827063.db2.gz YGIJDRGXJKMKKO-UHFFFAOYSA-N 0 0 322.328 0.691 10 0 DCAERN CCOc1ccc(NS(=O)(=O)CCC(=O)OC)cc1CO ZINC000049063248 395827740 /nfs/dbraw/zinc/82/77/40/395827740.db2.gz ZTAAINOJKFNNNK-UHFFFAOYSA-N 0 0 317.363 0.882 10 0 DCAERN CC(C)OCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000049083616 395828221 /nfs/dbraw/zinc/82/82/21/395828221.db2.gz MARQIVCOTBTSGP-SNVBAGLBSA-N 0 0 300.380 0.936 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCOC2)s1 ZINC000113196895 395828603 /nfs/dbraw/zinc/82/86/03/395828603.db2.gz IMFKCTLLCNAZIV-MRVPVSSYSA-N 0 0 304.393 0.233 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000113298979 395828997 /nfs/dbraw/zinc/82/89/97/395828997.db2.gz GECAFFPLELONBO-GFCCVEGCSA-N 0 0 310.354 0.852 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@]3(O)CCSC3)C2)n[nH]1 ZINC000271002052 395829945 /nfs/dbraw/zinc/82/99/45/395829945.db2.gz QIZPZMSBDRKEMX-YMTOWFKASA-N 0 0 324.406 0.083 10 0 DCAERN COCCCNC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000195513501 395830707 /nfs/dbraw/zinc/83/07/07/395830707.db2.gz KXZKINUNLXJKCL-UHFFFAOYSA-N 0 0 324.425 0.208 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118115550 395859946 /nfs/dbraw/zinc/85/99/46/395859946.db2.gz BJJNBBVRUXRMPF-AWEZNQCLSA-N 0 0 320.393 0.138 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cscn1 ZINC000050406454 395838530 /nfs/dbraw/zinc/83/85/30/395838530.db2.gz OGQJDKGKVAXJQX-NSHDSACASA-N 0 0 317.436 0.964 10 0 DCAERN C[NH+](C)Cc1cc(CNC(=O)N2CCNC(=O)CC2)ccc1F ZINC000115844652 395841369 /nfs/dbraw/zinc/84/13/69/395841369.db2.gz FVCZMCXXEFWBRS-UHFFFAOYSA-N 0 0 322.384 0.919 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCCN3CCOCC3)C2)cn1 ZINC000116519758 395844637 /nfs/dbraw/zinc/84/46/37/395844637.db2.gz LWOIJCIXORRKTF-AWEZNQCLSA-N 0 0 321.425 0.641 10 0 DCAERN Cc1ccc(C)c(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116833239 395847179 /nfs/dbraw/zinc/84/71/79/395847179.db2.gz MOWXYLCSUCEKLR-AWEZNQCLSA-N 0 0 310.419 0.996 10 0 DCAERN CCCS(=O)(=O)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000223478938 395856071 /nfs/dbraw/zinc/85/60/71/395856071.db2.gz VESFMTXVVJVHLG-UHFFFAOYSA-N 0 0 324.410 0.295 10 0 DCAERN Cc1ocnc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000194231497 395791871 /nfs/dbraw/zinc/79/18/71/395791871.db2.gz RNCUZYOPFYKHDP-UHFFFAOYSA-N 0 0 307.350 0.694 10 0 DCAERN CC[C@H]1CN(Cc2cc(=O)n3[n-]ccc3n2)CC[N@@H+]1CCOC ZINC000108867457 395794334 /nfs/dbraw/zinc/79/43/34/395794334.db2.gz RIWXXDUGBQBNAW-AWEZNQCLSA-N 0 0 319.409 0.565 10 0 DCAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000270666116 395795377 /nfs/dbraw/zinc/79/53/77/395795377.db2.gz VDMSTELMANIIPO-SCZZXKLOSA-N 0 0 312.347 0.587 10 0 DCAERN c1nc2ncnc(N3CCN(c4ccc5nncn5n4)CC3)c2[nH]1 ZINC000108947111 395795531 /nfs/dbraw/zinc/79/55/31/395795531.db2.gz NHXXDURXWABYEN-UHFFFAOYSA-N 0 0 322.336 0.117 10 0 DCAERN Cc1cnn(C[C@@H]2CN(c3cn[nH]c(=O)c3Cl)CCO2)c1 ZINC000108950041 395795685 /nfs/dbraw/zinc/79/56/85/395795685.db2.gz ITLXMBQPPWDDSL-JTQLQIEISA-N 0 0 309.757 0.834 10 0 DCAERN CCCNC(=O)CN(CC(=O)NCCC)Cc1ccnn1C ZINC000047614471 395796862 /nfs/dbraw/zinc/79/68/62/395796862.db2.gz OUAPFWLVOBMMMK-UHFFFAOYSA-N 0 0 309.414 0.275 10 0 DCAERN CN(Cc1nnn(C)n1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000194447527 395797183 /nfs/dbraw/zinc/79/71/83/395797183.db2.gz BMUPXUGMNFNKCS-LBPRGKRZSA-N 0 0 322.438 0.777 10 0 DCAERN CN1CC[C@@H](NC(=O)NCc2cccnc2-n2ccnc2)C1=O ZINC000122722362 395888682 /nfs/dbraw/zinc/88/86/82/395888682.db2.gz WMSAPCNHECRNRV-GFCCVEGCSA-N 0 0 314.349 0.297 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1ncc(C)o1 ZINC000234621934 395889909 /nfs/dbraw/zinc/88/99/09/395889909.db2.gz MHZNLRXKWHGIPY-VHSXEESVSA-N 0 0 302.352 0.744 10 0 DCAERN Cc1cnc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)s1 ZINC000123338826 395893636 /nfs/dbraw/zinc/89/36/36/395893636.db2.gz YLFZCLCBVVBVGE-SECBINFHSA-N 0 0 312.395 0.227 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000123360506 395893839 /nfs/dbraw/zinc/89/38/39/395893839.db2.gz GKHHUTCGKMIPPB-ZBEGNZNMSA-N 0 0 314.345 0.955 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccsc2)CC1 ZINC000125870682 395907394 /nfs/dbraw/zinc/90/73/94/395907394.db2.gz BVCPHVHHKNSBMO-GFCCVEGCSA-N 0 0 311.407 0.602 10 0 DCAERN CC1(C)CN(C(=O)C(=O)Nc2ccsc2)CCS1(=O)=O ZINC000126076669 395909358 /nfs/dbraw/zinc/90/93/58/395909358.db2.gz ODUPGYKVLRSXIB-UHFFFAOYSA-N 0 0 316.404 0.722 10 0 DCAERN Cn1cnc2c1c(=O)n(CCCSCC1CC1)c(=O)n2C ZINC000126264573 395911878 /nfs/dbraw/zinc/91/18/78/395911878.db2.gz WBBKKEJMDFMZJW-UHFFFAOYSA-N 0 0 308.407 0.967 10 0 DCAERN O=C1CN(c2ncc(I)cn2)CCCN1 ZINC000127941829 395916515 /nfs/dbraw/zinc/91/65/15/395916515.db2.gz RICLFFSPPREFBB-UHFFFAOYSA-N 0 0 318.118 0.408 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)n1 ZINC000134426925 395931193 /nfs/dbraw/zinc/93/11/93/395931193.db2.gz WBWVVYDBVUTNNE-JQWIXIFHSA-N 0 0 309.370 0.383 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386000 395927114 /nfs/dbraw/zinc/92/71/14/395927114.db2.gz JCIBXIHZKIXNHI-DZGCQCFKSA-N 0 0 303.362 0.626 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000226809906 395866911 /nfs/dbraw/zinc/86/69/11/395866911.db2.gz VPIVWWBZSKRRCL-CHWSQXEVSA-N 0 0 320.455 0.714 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC(CO)CO ZINC000119471635 395871577 /nfs/dbraw/zinc/87/15/77/395871577.db2.gz NZIDTADAZZULDD-BXUZGUMPSA-N 0 0 308.378 0.301 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC000119523246 395872557 /nfs/dbraw/zinc/87/25/57/395872557.db2.gz HFBPJPXUOYSPOV-NSHDSACASA-N 0 0 318.377 0.591 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1F ZINC000119766928 395875990 /nfs/dbraw/zinc/87/59/90/395875990.db2.gz USHGZJKSEKRUOD-UHFFFAOYSA-N 0 0 310.325 0.452 10 0 DCAERN NC(=O)NCCNc1ncncc1I ZINC000133414484 395928918 /nfs/dbraw/zinc/92/89/18/395928918.db2.gz XIQPEZRVCDPNKO-UHFFFAOYSA-N 0 0 307.095 0.161 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000152003162 395998574 /nfs/dbraw/zinc/99/85/74/395998574.db2.gz HXOQDHNTZBXKPA-VIFPVBQESA-N 0 0 316.427 0.023 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(Cl)cc1 ZINC000245722786 395934808 /nfs/dbraw/zinc/93/48/08/395934808.db2.gz DMRAZOGCXFDCGU-AAEUAGOBSA-N 0 0 314.769 0.266 10 0 DCAERN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000245730283 395934943 /nfs/dbraw/zinc/93/49/43/395934943.db2.gz FCNDKUPQHOYYGB-FZMZJTMJSA-N 0 0 323.368 0.531 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nc(N)nc(N(C)C)n1 ZINC000248854893 395998699 /nfs/dbraw/zinc/99/86/99/395998699.db2.gz QUHJZTGINOQIAX-UMNHJUIQSA-N 0 0 320.397 0.293 10 0 DCAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000245749288 395935375 /nfs/dbraw/zinc/93/53/75/395935375.db2.gz XKFGGPHXUVUJOV-DFBGVHRSSA-N 0 0 310.369 0.773 10 0 DCAERN CCNC(=O)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000135055021 395936891 /nfs/dbraw/zinc/93/68/91/395936891.db2.gz FRRYCERMVNULMU-MRXNPFEDSA-N 0 0 321.421 0.911 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CCN1CCOC ZINC000135101976 395937224 /nfs/dbraw/zinc/93/72/24/395937224.db2.gz UULBJXDJJKJCOJ-AWEZNQCLSA-N 0 0 322.409 0.655 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCC(=O)N1CCc2ccccc21 ZINC000135562980 395941307 /nfs/dbraw/zinc/94/13/07/395941307.db2.gz GESUDJVIOIVXIV-SMDDNHRTSA-N 0 0 324.402 0.673 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000152052176 395999347 /nfs/dbraw/zinc/99/93/47/395999347.db2.gz QSMPODKNNCZZPS-GFCCVEGCSA-N 0 0 305.382 0.951 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N(C)C(C)C)[C@@H]2C1 ZINC000246243547 395944856 /nfs/dbraw/zinc/94/48/56/395944856.db2.gz GJICMLKXBOPYKL-UPJWGTAASA-N 0 0 306.428 0.840 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC000246359058 395947872 /nfs/dbraw/zinc/94/78/72/395947872.db2.gz XEHKHCLQUUSBPR-OLZOCXBDSA-N 0 0 306.410 0.747 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)NCc1cnn(C)c1 ZINC000152072046 395999594 /nfs/dbraw/zinc/99/95/94/395999594.db2.gz YYWDUACBPYJDSV-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)C[C@H](C)O1 ZINC000246466537 395950600 /nfs/dbraw/zinc/95/06/00/395950600.db2.gz PSHQADVRRMIPGN-FRRDWIJNSA-N 0 0 304.412 0.453 10 0 DCAERN COC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246466096 395950742 /nfs/dbraw/zinc/95/07/42/395950742.db2.gz ZKIBYDHTBRQFKJ-RDBSUJKOSA-N 0 0 310.394 0.794 10 0 DCAERN O=C(CCCCc1c[nH]nn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000139323257 395953509 /nfs/dbraw/zinc/95/35/09/395953509.db2.gz BDJDGLUPBUNQFQ-AWEZNQCLSA-N 0 0 318.381 0.642 10 0 DCAERN CN(c1ccc(I)cc1)S(N)(=O)=O ZINC000139426234 395954458 /nfs/dbraw/zinc/95/44/58/395954458.db2.gz OQFKMBSMIBBJMK-UHFFFAOYSA-N 0 0 312.132 0.931 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469221 395999968 /nfs/dbraw/zinc/99/99/68/395999968.db2.gz NMLJFPQURKWTIG-KGLIPLIRSA-N 0 0 319.409 0.871 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000058965681 395958276 /nfs/dbraw/zinc/95/82/76/395958276.db2.gz XXMWTCMSPZAGNJ-LBPRGKRZSA-N 0 0 323.393 0.879 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923036 395960931 /nfs/dbraw/zinc/96/09/31/395960931.db2.gz RVXFVDXGXCJYTD-DGAVXFQQSA-N 0 0 305.440 0.935 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1C ZINC000247029777 395964724 /nfs/dbraw/zinc/96/47/24/395964724.db2.gz IDTGUDFDXVGJSO-GFCCVEGCSA-N 0 0 316.427 0.151 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000248925297 396000488 /nfs/dbraw/zinc/00/04/88/396000488.db2.gz XVRIVXIBIVSNMI-UHIISALHSA-N 0 0 304.346 0.952 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000247074073 395965760 /nfs/dbraw/zinc/96/57/60/395965760.db2.gz OLANFOBXXCHDKA-STQMWFEESA-N 0 0 305.444 0.226 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCCc2cccc(F)c2)C1=O ZINC000061241899 395966644 /nfs/dbraw/zinc/96/66/44/395966644.db2.gz OGQDZACLEZCZQN-UHFFFAOYSA-N 0 0 307.325 0.815 10 0 DCAERN Cc1ccc(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c(C)c1 ZINC000150739022 395971787 /nfs/dbraw/zinc/97/17/87/395971787.db2.gz LUBDTSVPQSDMDP-UHFFFAOYSA-N 0 0 317.345 0.718 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 ZINC000150835508 395973542 /nfs/dbraw/zinc/97/35/42/395973542.db2.gz PPDCFZYIWHDXJA-KGLIPLIRSA-N 0 0 305.382 0.887 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCC1(Cc2ccccc2)CC1 ZINC000151469229 395986868 /nfs/dbraw/zinc/98/68/68/395986868.db2.gz CYOVKKQZFDITMT-UHFFFAOYSA-N 0 0 301.346 0.677 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248534873 395989441 /nfs/dbraw/zinc/98/94/41/395989441.db2.gz JSRWDJSIUVSGPI-WFASDCNBSA-N 0 0 311.332 0.962 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000248542911 395989690 /nfs/dbraw/zinc/98/96/90/395989690.db2.gz CTFRUUYRLJKDLV-FXAINCCUSA-N 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/nfs/dbraw/zinc/02/66/17/396026617.db2.gz ODQVFPDYLQBPTD-MNOVXSKESA-N 0 0 309.370 0.624 10 0 DCAERN CN(C[C@H](O)c1ccccc1)C(=O)C(=S)N1CCOCC1 ZINC000256029732 396033484 /nfs/dbraw/zinc/03/34/84/396033484.db2.gz DHABASDQGXNVKN-ZDUSSCGKSA-N 0 0 308.403 0.838 10 0 DCAERN O=C1CN(Cc2nc(-c3ccc4c(c3)CCO4)no2)C(=O)N1 ZINC000154897179 396044748 /nfs/dbraw/zinc/04/47/48/396044748.db2.gz QRDJLOBKPRBAIV-UHFFFAOYSA-N 0 0 300.274 0.723 10 0 DCAERN CN1CC[C@H](NC(=O)NCC[C@@H]2c3ccccc3NC2=O)C1=O ZINC000155439536 396051528 /nfs/dbraw/zinc/05/15/28/396051528.db2.gz KUUDDZAJCWPUET-YPMHNXCESA-N 0 0 316.361 0.642 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(=O)N(C)C)CC2 ZINC000155422116 396051930 /nfs/dbraw/zinc/05/19/30/396051930.db2.gz IXFNFYPZSPBDNP-JTQLQIEISA-N 0 0 308.386 0.104 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000155630774 396055920 /nfs/dbraw/zinc/05/59/20/396055920.db2.gz PUGLVSITOVZDPT-WDEREUQCSA-N 0 0 319.365 0.299 10 0 DCAERN Cc1ccc(CCNC(=O)C2CC3(C2)NC(=O)NC3=O)c(C)c1 ZINC000155844116 396058606 /nfs/dbraw/zinc/05/86/06/396058606.db2.gz UVDQWSPSAKDLID-UHFFFAOYSA-N 0 0 315.373 0.950 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H](C)O1 ZINC000157812731 396063697 /nfs/dbraw/zinc/06/36/97/396063697.db2.gz DXPATCOWQKKCON-YGRLFVJLSA-N 0 0 323.393 0.758 10 0 DCAERN O=c1cc(I)cnn1Cc1ncccn1 ZINC000158603045 396065348 /nfs/dbraw/zinc/06/53/48/396065348.db2.gz UNUFPHMWCCUAOE-UHFFFAOYSA-N 0 0 314.086 0.686 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000152405393 396007924 /nfs/dbraw/zinc/00/79/24/396007924.db2.gz YOQZQSNDHSCVRJ-JTQLQIEISA-N 0 0 302.338 0.552 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000069118885 396070430 /nfs/dbraw/zinc/07/04/30/396070430.db2.gz CXNCFKVRKIPMLB-JTQLQIEISA-N 0 0 300.384 0.099 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000249685117 396011424 /nfs/dbraw/zinc/01/14/24/396011424.db2.gz LVPSKUWXZPYNFW-LSDHHAIUSA-N 0 0 313.419 0.683 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000249870296 396012790 /nfs/dbraw/zinc/01/27/90/396012790.db2.gz JPVMSZLLRWWQTN-PWSUYJOCSA-N 0 0 324.381 0.310 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000152713501 396015257 /nfs/dbraw/zinc/01/52/57/396015257.db2.gz DLKGYHCBLUNLQN-IJEWVQPXSA-N 0 0 309.410 0.944 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)[C@H](C)COC)CCO2)cn1 ZINC000251696895 396016620 /nfs/dbraw/zinc/01/66/20/396016620.db2.gz ISBVYCZWRLUOAK-DGCLKSJQSA-N 0 0 317.411 0.641 10 0 DCAERN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CSCN1 ZINC000261988263 396087343 /nfs/dbraw/zinc/08/73/43/396087343.db2.gz SNWVLBLFCVPJIG-HNNXBMFYSA-N 0 0 321.446 0.798 10 0 DCAERN Cn1cnnc1CNc1ncc(I)cn1 ZINC000165175988 396087634 /nfs/dbraw/zinc/08/76/34/396087634.db2.gz CEEXYUHXQIASDF-UHFFFAOYSA-N 0 0 316.106 0.822 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC000069815946 396091251 /nfs/dbraw/zinc/09/12/51/396091251.db2.gz IEIKAOSGCSCBSS-KGLIPLIRSA-N 0 0 324.425 0.774 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CSCC(N)=O ZINC000262073365 396096291 /nfs/dbraw/zinc/09/62/91/396096291.db2.gz WYSCJVDELRKLLY-LBPRGKRZSA-N 0 0 323.418 0.387 10 0 DCAERN Cn1ccnc(N2CCN(Cc3cnc(N)s3)CC2)c1=O ZINC000262082521 396097391 /nfs/dbraw/zinc/09/73/91/396097391.db2.gz TXGVTNKNDQJTFQ-UHFFFAOYSA-N 0 0 306.395 0.141 10 0 DCAERN COC(=O)c1cn(CC(=O)c2cc(OC)ccc2OC)nn1 ZINC000070459862 396101793 /nfs/dbraw/zinc/10/17/93/396101793.db2.gz JCGGSLZLCJAOAI-UHFFFAOYSA-N 0 0 305.290 0.965 10 0 DCAERN CCOC(=O)CCCN1CCN(c2nccc(OC)n2)CC1 ZINC000171033969 396104933 /nfs/dbraw/zinc/10/49/33/396104933.db2.gz HIZVFEHHKOWVMN-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287586 396113038 /nfs/dbraw/zinc/11/30/38/396113038.db2.gz GOIXHNCWGHPRPI-GFCCVEGCSA-N 0 0 302.334 0.797 10 0 DCAERN Cn1cc(N2CCN(C[C@H](O)COC(C)(C)C)CC2=O)cn1 ZINC000175792256 396142456 /nfs/dbraw/zinc/14/24/56/396142456.db2.gz NASIBNBTXPTMDM-ZDUSSCGKSA-N 0 0 310.398 0.245 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)cn1 ZINC000171352241 396115362 /nfs/dbraw/zinc/11/53/62/396115362.db2.gz KUOHMNBDTSKRIX-CQSZACIVSA-N 0 0 320.393 0.723 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CCCOC1 ZINC000171567220 396118710 /nfs/dbraw/zinc/11/87/10/396118710.db2.gz YEMUFYDTUSVKQZ-NSHDSACASA-N 0 0 304.350 0.477 10 0 DCAERN O=C(NCCCNC(=O)C1CCC1)N[C@@H]1CCc2ncnn2C1 ZINC000175787798 396142743 /nfs/dbraw/zinc/14/27/43/396142743.db2.gz ILUFTCVKQZGUME-GFCCVEGCSA-N 0 0 320.397 0.199 10 0 DCAERN CN(C(=O)CCn1ccnn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171856252 396126785 /nfs/dbraw/zinc/12/67/85/396126785.db2.gz IPZRLYUSLBQYPY-CQSZACIVSA-N 0 0 313.361 0.932 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCCCc1nc(C(C)C)no1 ZINC000171906026 396127489 /nfs/dbraw/zinc/12/74/89/396127489.db2.gz RCOWMSOTRQNKMC-UHFFFAOYSA-N 0 0 311.386 0.903 10 0 DCAERN CN(C)C(=O)C1CCN([C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000171912828 396127801 /nfs/dbraw/zinc/12/78/01/396127801.db2.gz AHUCLJONUZJAMG-CQSZACIVSA-N 0 0 319.409 0.326 10 0 DCAERN CCOc1cc(C(=O)NCCNS(C)(=O)=O)ccc1C ZINC000172012381 396128854 /nfs/dbraw/zinc/12/88/54/396128854.db2.gz IJWQAMSDAKQQJV-UHFFFAOYSA-N 0 0 300.380 0.673 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069537377 396082713 /nfs/dbraw/zinc/08/27/13/396082713.db2.gz ARTRNGXCCKVCOE-STQMWFEESA-N 0 0 312.410 0.897 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000176475876 396155750 /nfs/dbraw/zinc/15/57/50/396155750.db2.gz MGFGHYLCGAMAMO-GFCCVEGCSA-N 0 0 314.411 0.365 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263269580 396210336 /nfs/dbraw/zinc/21/03/36/396210336.db2.gz RYYWIROVROVAGV-RYUDHWBXSA-N 0 0 317.380 0.994 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)COc1c(C)nn(C)c1C ZINC000177005401 396164835 /nfs/dbraw/zinc/16/48/35/396164835.db2.gz KGJYMAFLJBQPEQ-LBPRGKRZSA-N 0 0 309.366 0.970 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000177136335 396167506 /nfs/dbraw/zinc/16/75/06/396167506.db2.gz WAVRHPUYTVFTNK-GFCCVEGCSA-N 0 0 319.365 0.077 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000177182819 396167988 /nfs/dbraw/zinc/16/79/88/396167988.db2.gz WUMVLGKAIINYEU-LBPRGKRZSA-N 0 0 314.411 0.074 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000177297147 396170909 /nfs/dbraw/zinc/17/09/09/396170909.db2.gz DXXOYHPFFCKGPZ-LSDHHAIUSA-N 0 0 321.425 0.635 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633431 396180534 /nfs/dbraw/zinc/18/05/34/396180534.db2.gz RMLHCULVJBGADO-NSHDSACASA-N 0 0 317.324 0.795 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000177708249 396181922 /nfs/dbraw/zinc/18/19/22/396181922.db2.gz OBDSEKIMAZROEH-LLVKDONJSA-N 0 0 316.365 0.771 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)cn1 ZINC000177789016 396183896 /nfs/dbraw/zinc/18/38/96/396183896.db2.gz HCZOUXZOZJCNGL-RYUDHWBXSA-N 0 0 322.409 0.999 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)[C@H]1CC(F)(F)CN1 ZINC000262901559 396191012 /nfs/dbraw/zinc/19/10/12/396191012.db2.gz DQGWBLUYFBBZSK-LLVKDONJSA-N 0 0 307.304 0.881 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263290096 396212077 /nfs/dbraw/zinc/21/20/77/396212077.db2.gz VNQCDMXBXNSPJD-LBPRGKRZSA-N 0 0 311.332 0.702 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263082843 396200406 /nfs/dbraw/zinc/20/04/06/396200406.db2.gz XQXGYSCZGNSUHV-GHMZBOCLSA-N 0 0 300.305 0.842 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(F)(F)CN3)C2)cn1 ZINC000263157133 396203740 /nfs/dbraw/zinc/20/37/40/396203740.db2.gz DNZIFAIJBYMVLI-PWSUYJOCSA-N 0 0 313.352 0.502 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280481454 396203906 /nfs/dbraw/zinc/20/39/06/396203906.db2.gz JWGKWURBWPIHLA-HSMVNMDESA-N 0 0 322.361 0.804 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000180799782 396234751 /nfs/dbraw/zinc/23/47/51/396234751.db2.gz MCHRFDVUGBYWRA-JTQLQIEISA-N 0 0 316.427 0.023 10 0 DCAERN Cc1ccnc2nc(C(=O)NCc3cn4c(n3)CCCC4)nn21 ZINC000263845512 396236144 /nfs/dbraw/zinc/23/61/44/396236144.db2.gz SXZIAIGDOHYXDQ-UHFFFAOYSA-N 0 0 311.349 0.896 10 0 DCAERN CCOCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181050594 396236114 /nfs/dbraw/zinc/23/61/14/396236114.db2.gz MFLMRUGPHGKFEW-UHFFFAOYSA-N 0 0 303.384 0.042 10 0 DCAERN CNC(=O)CN1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000181128309 396237169 /nfs/dbraw/zinc/23/71/69/396237169.db2.gz USZPHFDSZVHATC-UHFFFAOYSA-N 0 0 318.352 0.811 10 0 DCAERN Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1cnn(C)c1 ZINC000181512774 396239397 /nfs/dbraw/zinc/23/93/97/396239397.db2.gz JXBSDWAKAGMVKE-UHFFFAOYSA-N 0 0 311.411 0.682 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000078114596 396239727 /nfs/dbraw/zinc/23/97/27/396239727.db2.gz ACANLBROFKBTOZ-ZDUSSCGKSA-N 0 0 305.378 0.268 10 0 DCAERN Cn1cc([C@@H](O)CNC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000078374465 396243253 /nfs/dbraw/zinc/24/32/53/396243253.db2.gz DTIFIBHWTVIGEX-NSHDSACASA-N 0 0 306.347 0.192 10 0 DCAERN COCc1noc(CN2CCCN(c3cccnn3)CC2)n1 ZINC000182232967 396247842 /nfs/dbraw/zinc/24/78/42/396247842.db2.gz UKXIHXAXDCVYCA-UHFFFAOYSA-N 0 0 304.354 0.718 10 0 DCAERN Cn1c(CNC(=O)c2ccc(C(N)=O)cn2)nnc1C1CCC1 ZINC000184044545 396281868 /nfs/dbraw/zinc/28/18/68/396281868.db2.gz WRUUDSGFFDQQLD-UHFFFAOYSA-N 0 0 314.349 0.507 10 0 DCAERN COC(=O)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 ZINC000182400781 396250028 /nfs/dbraw/zinc/25/00/28/396250028.db2.gz KMAJKZUBLCAKSH-UHFFFAOYSA-N 0 0 317.349 0.954 10 0 DCAERN Cn1nnc2ccc(C(=O)Nc3ncc(C(N)=O)s3)cc21 ZINC000182467739 396250440 /nfs/dbraw/zinc/25/04/40/396250440.db2.gz IPNWXQZTLSWCQI-UHFFFAOYSA-N 0 0 302.319 0.776 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCN(c3cccs3)C(=O)C2)c1 ZINC000184065923 396283523 /nfs/dbraw/zinc/28/35/23/396283523.db2.gz FAVIIZZKMCULOG-UHFFFAOYSA-N 0 0 318.358 0.664 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)C[S@@](C)=O ZINC000182895672 396256793 /nfs/dbraw/zinc/25/67/93/396256793.db2.gz HDVAWLAIRAXTPY-HXNGOWOSSA-N 0 0 310.379 0.474 10 0 DCAERN COC(=O)Cn1cc(NC(=O)c2ccc3nnn(C)c3c2)cn1 ZINC000183002093 396258439 /nfs/dbraw/zinc/25/84/39/396258439.db2.gz GZOMIJSPYYBZGJ-UHFFFAOYSA-N 0 0 314.305 0.590 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)CO2 ZINC000282068695 396260455 /nfs/dbraw/zinc/26/04/55/396260455.db2.gz BRJFJWOPVSZZKP-AAEUAGOBSA-N 0 0 318.373 0.935 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000183146212 396263197 /nfs/dbraw/zinc/26/31/97/396263197.db2.gz MWURLIONZRHSIL-KGLIPLIRSA-N 0 0 307.398 0.992 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC000183162564 396263601 /nfs/dbraw/zinc/26/36/01/396263601.db2.gz NDVJYIDZNGPAHX-UHFFFAOYSA-N 0 0 312.399 0.499 10 0 DCAERN Cn1nnc2cc(C(=O)N3c4ccccc4C[C@H]3C(N)=O)cnc21 ZINC000183428502 396270466 /nfs/dbraw/zinc/27/04/66/396270466.db2.gz YBXYANAQBLAJKJ-ZDUSSCGKSA-N 0 0 322.328 0.420 10 0 DCAERN O=S(=O)(CC[NH2+][C@H]1CCCSC1)NC[C@H]1CCCCO1 ZINC000183601122 396272162 /nfs/dbraw/zinc/27/21/62/396272162.db2.gz VJQQONNFWCGABV-QWHCGFSZSA-N 0 0 322.496 0.960 10 0 DCAERN COCCCNC(=O)CN1CCCN(c2ccccn2)CC1 ZINC000183778089 396274836 /nfs/dbraw/zinc/27/48/36/396274836.db2.gz HXCJAKJSMDVPGJ-UHFFFAOYSA-N 0 0 306.410 0.746 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183994071 396279987 /nfs/dbraw/zinc/27/99/87/396279987.db2.gz JGUCBAMEFJCTRE-GFCCVEGCSA-N 0 0 310.350 0.595 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000077283286 396217265 /nfs/dbraw/zinc/21/72/65/396217265.db2.gz WEGYLCIYNXUURK-FZMZJTMJSA-N 0 0 309.410 0.808 10 0 DCAERN O=C(Cc1ccc(N[C@H]2CCNC2=O)cc1)N1CCOCC1 ZINC000179062342 396220271 /nfs/dbraw/zinc/22/02/71/396220271.db2.gz GHWOGSSKONWJST-AWEZNQCLSA-N 0 0 303.362 0.388 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179340173 396225818 /nfs/dbraw/zinc/22/58/18/396225818.db2.gz FCGVSGOTEJZIQE-WDEREUQCSA-N 0 0 312.395 0.683 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000179415385 396226672 /nfs/dbraw/zinc/22/66/72/396226672.db2.gz FURYYBJTQHJPJO-QMMMGPOBSA-N 0 0 302.318 0.727 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CCCCNC1=O ZINC000263750571 396228923 /nfs/dbraw/zinc/22/89/23/396228923.db2.gz GJROJXBAHDNOES-GFCCVEGCSA-N 0 0 305.382 0.687 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)NCCCn1ccnn1 ZINC000185080107 396316847 /nfs/dbraw/zinc/31/68/47/396316847.db2.gz JKEWYXJBWDWWHY-UHFFFAOYSA-N 0 0 305.313 0.354 10 0 DCAERN CC[C@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000185085094 396316888 /nfs/dbraw/zinc/31/68/88/396316888.db2.gz OSOISZVELSGCNM-MNOVXSKESA-N 0 0 310.423 0.908 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000185091314 396317397 /nfs/dbraw/zinc/31/73/97/396317397.db2.gz HSUXGFNSTVVMEB-CQSZACIVSA-N 0 0 308.378 0.182 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064053 396283741 /nfs/dbraw/zinc/28/37/41/396283741.db2.gz GJFUGIUWZJPQMD-CHWSQXEVSA-N 0 0 321.425 0.910 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000184084006 396284068 /nfs/dbraw/zinc/28/40/68/396284068.db2.gz YOXACAQVXCNVFK-QWHCGFSZSA-N 0 0 300.305 0.445 10 0 DCAERN Cn1cc(-c2cc(CSCc3nc(N)nc(N)n3)on2)cn1 ZINC000184073859 396284559 /nfs/dbraw/zinc/28/45/59/396284559.db2.gz FUCLATUZAZZVNM-UHFFFAOYSA-N 0 0 318.366 0.858 10 0 DCAERN CCn1c2ccc(F)cc2nc1NC(=O)CN1CC(=O)NC1=O ZINC000184092663 396285422 /nfs/dbraw/zinc/28/54/22/396285422.db2.gz MWNZUQRAOXDVRW-UHFFFAOYSA-N 0 0 319.296 0.686 10 0 DCAERN COc1cc(N2CCN(Cc3nnnn3C(C)C)CC2)ncn1 ZINC000184093405 396285501 /nfs/dbraw/zinc/28/55/01/396285501.db2.gz HIJPMRQUXXEZOY-UHFFFAOYSA-N 0 0 318.385 0.375 10 0 DCAERN CCNC(=O)CNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184128846 396286416 /nfs/dbraw/zinc/28/64/16/396286416.db2.gz KZLYCLPIUPJYJM-UHFFFAOYSA-N 0 0 310.379 0.242 10 0 DCAERN O=C([C@H]1CSC(=O)N1)N1CCCN(c2ccccn2)CC1 ZINC000184234318 396288696 /nfs/dbraw/zinc/28/86/96/396288696.db2.gz UCJDHFMUTLZQRX-LLVKDONJSA-N 0 0 306.391 0.945 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)NCC(F)(F)CO)CC1 ZINC000184242801 396289187 /nfs/dbraw/zinc/28/91/87/396289187.db2.gz MVWLIEKXIZQYHU-UHFFFAOYSA-N 0 0 307.341 0.560 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC(=O)N1C ZINC000282426362 396289365 /nfs/dbraw/zinc/28/93/65/396289365.db2.gz QRNNPEKQCCSPAC-SECBINFHSA-N 0 0 315.329 0.215 10 0 DCAERN CN1C(=O)CN(c2nc(-c3ccccn3)nc3c2CCC3)CC1=O ZINC000184292307 396289854 /nfs/dbraw/zinc/28/98/54/396289854.db2.gz HCKZSWZNBJDVMQ-UHFFFAOYSA-N 0 0 323.356 0.832 10 0 DCAERN COc1cccc(CNC(=O)CN2CCO[C@]3(CCOC3)C2)c1 ZINC000185145016 396319847 /nfs/dbraw/zinc/31/98/47/396319847.db2.gz JIOYYJXMFAGCIO-QGZVFWFLSA-N 0 0 320.389 0.803 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1 ZINC000184579716 396299933 /nfs/dbraw/zinc/29/99/33/396299933.db2.gz NYFRHRHYUHTOCA-AWEZNQCLSA-N 0 0 318.373 0.858 10 0 DCAERN COCCCn1c(C)cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184716773 396302557 /nfs/dbraw/zinc/30/25/57/396302557.db2.gz NZKUREJJJYLRBT-CABCVRRESA-N 0 0 324.421 0.752 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCOC(C)C)CC1 ZINC000184696049 396302887 /nfs/dbraw/zinc/30/28/87/396302887.db2.gz XUVSMUOXFWLARY-CQSZACIVSA-N 0 0 301.431 0.900 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000184754265 396304794 /nfs/dbraw/zinc/30/47/94/396304794.db2.gz LYGWNRMSJOHSPJ-NEPJUHHUSA-N 0 0 318.439 0.430 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccnc2OC)CC1 ZINC000184817198 396307006 /nfs/dbraw/zinc/30/70/06/396307006.db2.gz LVIHBHLVDYGFKN-AWEZNQCLSA-N 0 0 322.409 0.688 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000081848011 396309346 /nfs/dbraw/zinc/30/93/46/396309346.db2.gz GXMHAYVXSISDKY-ZDUSSCGKSA-N 0 0 321.377 0.914 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184896866 396310175 /nfs/dbraw/zinc/31/01/75/396310175.db2.gz KZTUIMAOFVDQNW-SFYZADRCSA-N 0 0 315.317 0.741 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000185232752 396322407 /nfs/dbraw/zinc/32/24/07/396322407.db2.gz CVVAQHAATHLCBA-MQJDWESPSA-N 0 0 317.455 0.844 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCCC[C@]1(C)C(N)=O ZINC000185884981 396336628 /nfs/dbraw/zinc/33/66/28/396336628.db2.gz NAHNVNPJRSZPOD-MRXNPFEDSA-N 0 0 313.442 0.895 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000185987097 396338214 /nfs/dbraw/zinc/33/82/14/396338214.db2.gz TVPKRAFPXKHIMR-LBPRGKRZSA-N 0 0 307.379 0.886 10 0 DCAERN CN1C[C@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)CCC1=O ZINC000265727998 396339530 /nfs/dbraw/zinc/33/95/30/396339530.db2.gz UVUXBLGWFDJKOX-SNVBAGLBSA-N 0 0 318.333 0.760 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccon2)C1 ZINC000185764029 396334597 /nfs/dbraw/zinc/33/45/97/396334597.db2.gz UHWPZTSKHWQVFV-SNVBAGLBSA-N 0 0 308.338 0.520 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccon2)CCN1CCOC ZINC000185823385 396335302 /nfs/dbraw/zinc/33/53/02/396335302.db2.gz BLBGFGWLKYXRQK-NSHDSACASA-N 0 0 310.354 0.182 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000186204254 396344314 /nfs/dbraw/zinc/34/43/14/396344314.db2.gz PICDKERNTUKNRF-JTQLQIEISA-N 0 0 312.395 0.704 10 0 DCAERN Cc1nc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c(=O)[nH]c1C ZINC000186631945 396353892 /nfs/dbraw/zinc/35/38/92/396353892.db2.gz WCVSRTCOMFASED-UHFFFAOYSA-N 0 0 318.377 0.471 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186617394 396354032 /nfs/dbraw/zinc/35/40/32/396354032.db2.gz AQTCUUYSAVJNEC-JTQLQIEISA-N 0 0 322.381 0.911 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186727730 396356322 /nfs/dbraw/zinc/35/63/22/396356322.db2.gz AUDJOGUOQVIHGL-UHFFFAOYSA-N 0 0 305.382 0.571 10 0 DCAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cnn(CC(F)F)c1 ZINC000187170648 396364333 /nfs/dbraw/zinc/36/43/33/396364333.db2.gz JRSJZAGEYLKKIL-MWLCHTKSSA-N 0 0 323.365 0.978 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)C(=O)NCC(=O)N(C)C)cs1 ZINC000187666395 396372331 /nfs/dbraw/zinc/37/23/31/396372331.db2.gz LYSSRUKCPMGMTK-LLVKDONJSA-N 0 0 324.406 0.319 10 0 DCAERN CNC(=O)C1(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000187646842 396372342 /nfs/dbraw/zinc/37/23/42/396372342.db2.gz GXBHSTRFIXXMBH-RYUDHWBXSA-N 0 0 308.403 0.809 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCc3sccc3C2)CCN1CCO ZINC000187682141 396372738 /nfs/dbraw/zinc/37/27/38/396372738.db2.gz YWSUSKGJYQZNFG-ZDUSSCGKSA-N 0 0 323.462 0.631 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C12CCOCC2 ZINC000186462152 396350763 /nfs/dbraw/zinc/35/07/63/396350763.db2.gz LERMXCSVJCOVBU-VXGBXAGGSA-N 0 0 308.382 0.828 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000285607317 396351412 /nfs/dbraw/zinc/35/14/12/396351412.db2.gz XWMDHFGHJKXXKP-HUUCEWRRSA-N 0 0 322.409 0.948 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188399899 396381825 /nfs/dbraw/zinc/38/18/25/396381825.db2.gz SODVMUXFXGJDMU-UHFFFAOYSA-N 0 0 321.425 0.919 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCOCC(F)F)CCO2)[nH]1 ZINC000188398906 396381879 /nfs/dbraw/zinc/38/18/79/396381879.db2.gz VGTAFEWTYVGWJC-SECBINFHSA-N 0 0 304.297 0.685 10 0 DCAERN CS(=O)(=O)CCN(C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)C1CC1 ZINC000188643465 396384359 /nfs/dbraw/zinc/38/43/59/396384359.db2.gz CFRKFEZHEROQSF-JHJVBQTASA-N 0 0 316.423 0.773 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189170762 396390978 /nfs/dbraw/zinc/39/09/78/396390978.db2.gz NJXDZDAMFNLBAU-LLVKDONJSA-N 0 0 302.400 0.205 10 0 DCAERN CCS[C@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189208118 396391760 /nfs/dbraw/zinc/39/17/60/396391760.db2.gz WJRAFUJYKAGFBK-LPWJVIDDSA-N 0 0 300.424 0.759 10 0 DCAERN CCS[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189208077 396391977 /nfs/dbraw/zinc/39/19/77/396391977.db2.gz WJRAFUJYKAGFBK-XQHKEYJVSA-N 0 0 300.424 0.759 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189724401 396398414 /nfs/dbraw/zinc/39/84/14/396398414.db2.gz MVAIFMVQQXFLHV-UHFFFAOYSA-N 0 0 302.382 0.976 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000190054603 396401939 /nfs/dbraw/zinc/40/19/39/396401939.db2.gz FNAWUEQNQBTGGQ-CYBMUJFWSA-N 0 0 307.394 0.947 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1c[nH]c(=S)[nH]1 ZINC000193111336 396444224 /nfs/dbraw/zinc/44/42/24/396444224.db2.gz JYYVVIKJDQSKCW-VIFPVBQESA-N 0 0 317.374 0.738 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000190204768 396402887 /nfs/dbraw/zinc/40/28/87/396402887.db2.gz LMOPZGGTHNFMQK-DGCLKSJQSA-N 0 0 314.411 0.049 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)N1CCC(=O)[C@H](C)C1 ZINC000193131557 396444272 /nfs/dbraw/zinc/44/42/72/396444272.db2.gz PGNFILMLOHFYSF-LLVKDONJSA-N 0 0 304.346 0.863 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000190222675 396403253 /nfs/dbraw/zinc/40/32/53/396403253.db2.gz KUVYJPGQZYVEKW-ZDUSSCGKSA-N 0 0 310.398 0.058 10 0 DCAERN O=C(Cc1cnc2ccccc2c1)NC[C@@H]1CN2CCN1CC2 ZINC000190240416 396403599 /nfs/dbraw/zinc/40/35/99/396403599.db2.gz NXJUDYCSEUVIOI-MRXNPFEDSA-N 0 0 310.401 0.893 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190286885 396404178 /nfs/dbraw/zinc/40/41/78/396404178.db2.gz CDNJXMLGTAHYDH-BXKDBHETSA-N 0 0 312.391 0.824 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000190321219 396405407 /nfs/dbraw/zinc/40/54/07/396405407.db2.gz KGTOWUHUUGDDQA-AAEUAGOBSA-N 0 0 314.411 0.497 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000190462846 396406635 /nfs/dbraw/zinc/40/66/35/396406635.db2.gz KGJNAYBNHRUDOF-ZIAGYGMSSA-N 0 0 320.437 0.908 10 0 DCAERN CCN1CN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CC1=O ZINC000190519092 396407151 /nfs/dbraw/zinc/40/71/51/396407151.db2.gz UEJRSAHJMCFPOP-MRXNPFEDSA-N 0 0 302.330 0.806 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000190531429 396407612 /nfs/dbraw/zinc/40/76/12/396407612.db2.gz SISOPFMJJYAOED-CYBMUJFWSA-N 0 0 322.409 0.261 10 0 DCAERN CN1CCCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1=O ZINC000190623736 396408991 /nfs/dbraw/zinc/40/89/91/396408991.db2.gz KWERLRYBUPNIHS-UHFFFAOYSA-N 0 0 315.373 0.883 10 0 DCAERN CCc1nc(C2CCN(CCNS(C)(=O)=O)CC2)n[nH]1 ZINC000190647612 396409516 /nfs/dbraw/zinc/40/95/16/396409516.db2.gz CCKQXVIZCRHWMG-UHFFFAOYSA-N 0 0 301.416 0.096 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000190673812 396409898 /nfs/dbraw/zinc/40/98/98/396409898.db2.gz ABCCCEATOSTBTI-SECBINFHSA-N 0 0 315.333 0.238 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190681127 396410513 /nfs/dbraw/zinc/41/05/13/396410513.db2.gz CXUHTCJOQGAISY-SECBINFHSA-N 0 0 324.768 0.719 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190753215 396410951 /nfs/dbraw/zinc/41/09/51/396410951.db2.gz XQKAFJNWGWDXFO-GFCCVEGCSA-N 0 0 316.365 0.555 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000190763492 396411335 /nfs/dbraw/zinc/41/13/35/396411335.db2.gz APMKPIUJTGFYDA-CQSZACIVSA-N 0 0 311.426 0.426 10 0 DCAERN COCCN1CCCN(Cc2nc(CC(C)C)no2)CC1=O ZINC000190780355 396411346 /nfs/dbraw/zinc/41/13/46/396411346.db2.gz UFGDAGQJVRKVAV-UHFFFAOYSA-N 0 0 310.398 0.949 10 0 DCAERN COCCN1CCCN(C[C@H](O)COCC(C)C)CC1=O ZINC000190809378 396412009 /nfs/dbraw/zinc/41/20/09/396412009.db2.gz WWBZTKKYXXIVSF-AWEZNQCLSA-N 0 0 302.415 0.201 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000269420528 396413142 /nfs/dbraw/zinc/41/31/42/396413142.db2.gz HHYRPOMPVWEVJM-GWCFXTLKSA-N 0 0 318.329 0.578 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1C ZINC000191045724 396414483 /nfs/dbraw/zinc/41/44/83/396414483.db2.gz JZMZBOJAEFFSQV-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)CC1=O ZINC000191043819 396414733 /nfs/dbraw/zinc/41/47/33/396414733.db2.gz CSIMCGJOJZUJKC-UHFFFAOYSA-N 0 0 310.741 0.364 10 0 DCAERN CC(=O)N1CC(C(=O)NC2CCN(c3cccc(C)n3)CC2)C1 ZINC000191132855 396415864 /nfs/dbraw/zinc/41/58/64/396415864.db2.gz ZVLSVCGENTUVDY-UHFFFAOYSA-N 0 0 316.405 0.953 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1=O ZINC000191264151 396417511 /nfs/dbraw/zinc/41/75/11/396417511.db2.gz YHSGCRRGLIGBGC-UHFFFAOYSA-N 0 0 320.393 0.469 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191464239 396419386 /nfs/dbraw/zinc/41/93/86/396419386.db2.gz NRFUQJQJYNHWHA-GHMZBOCLSA-N 0 0 320.397 0.595 10 0 DCAERN CCN1CN([C@H](C)C(=O)NCc2cccc(OC)c2)CC1=O ZINC000191540861 396421126 /nfs/dbraw/zinc/42/11/26/396421126.db2.gz ZHKIEQRYVHBCBN-GFCCVEGCSA-N 0 0 305.378 0.822 10 0 DCAERN CCN1CN(CC(=O)NCCCN2CCCCCC2=O)CC1=O ZINC000191524951 396421252 /nfs/dbraw/zinc/42/12/52/396421252.db2.gz WMYZMNJXBWTURL-UHFFFAOYSA-N 0 0 324.425 0.017 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1=O ZINC000191563560 396421301 /nfs/dbraw/zinc/42/13/01/396421301.db2.gz ITVSVLIDAZHQON-JTQLQIEISA-N 0 0 322.340 0.984 10 0 DCAERN CCN1CN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1=O ZINC000191582060 396422152 /nfs/dbraw/zinc/42/21/52/396422152.db2.gz HOQXXAKTCMGAKU-LBPRGKRZSA-N 0 0 305.378 0.994 10 0 DCAERN Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)ccc1-n1cncn1 ZINC000191765161 396424545 /nfs/dbraw/zinc/42/45/45/396424545.db2.gz HFNAZUOTWOWKJD-LBPRGKRZSA-N 0 0 313.361 0.926 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000191763997 396424690 /nfs/dbraw/zinc/42/46/90/396424690.db2.gz PKNBZDJNGAGVPG-LBPRGKRZSA-N 0 0 313.361 0.926 10 0 DCAERN Cc1c(C(=O)N[C@@H](C)C(=O)N(C)C)cccc1N1CCNC1=O ZINC000191801068 396425123 /nfs/dbraw/zinc/42/51/23/396425123.db2.gz RKDUWZKIBWILRG-NSHDSACASA-N 0 0 318.377 0.731 10 0 DCAERN Cn1cc([C@H]2CSCCN2C(=O)CCc2nnc[nH]2)cn1 ZINC000192008473 396427704 /nfs/dbraw/zinc/42/77/04/396427704.db2.gz GEQXUCSGVJPPHO-LLVKDONJSA-N 0 0 306.395 0.788 10 0 DCAERN C[C@H](O)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000192437383 396431460 /nfs/dbraw/zinc/43/14/60/396431460.db2.gz MCSWZUSZBDTFTI-AVGNSLFASA-N 0 0 322.409 0.875 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000192766655 396437613 /nfs/dbraw/zinc/43/76/13/396437613.db2.gz FHKXZVWAOHULIV-CMPLNLGQSA-N 0 0 308.309 0.335 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@@H](C)OC ZINC000192929409 396441103 /nfs/dbraw/zinc/44/11/03/396441103.db2.gz GLHZFJQJLRBUJS-NXEZZACHSA-N 0 0 302.400 0.630 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nncn3C)C2)C1 ZINC000193068434 396442676 /nfs/dbraw/zinc/44/26/76/396442676.db2.gz KWEDHAAHXWNIII-KGLIPLIRSA-N 0 0 319.409 0.780 10 0 DCAERN CN1C[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1=O ZINC000188098490 396379074 /nfs/dbraw/zinc/37/90/74/396379074.db2.gz KOJQFAAPIUQOPI-GFCCVEGCSA-N 0 0 317.393 0.414 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)N1CC(n2ccnn2)C1 ZINC000372192173 396496583 /nfs/dbraw/zinc/49/65/83/396496583.db2.gz MADMRYZCCFJSNT-UHFFFAOYSA-N 0 0 315.333 0.100 10 0 DCAERN CC(C)OC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCO1 ZINC000372212419 396497316 /nfs/dbraw/zinc/49/73/16/396497316.db2.gz SFVYKQCKMJAVGM-CHWSQXEVSA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)(C)c1nnc2ccc(N3CCN4CCOC[C@H]4C3)nn21 ZINC000372335835 396509085 /nfs/dbraw/zinc/50/90/85/396509085.db2.gz ARMKGJIZBFZRDD-GFCCVEGCSA-N 0 0 316.409 0.943 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NCc1cccc(C)n1 ZINC000193440787 396451433 /nfs/dbraw/zinc/45/14/33/396451433.db2.gz IACGTPWGORKJCG-UHFFFAOYSA-N 0 0 300.384 0.129 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000270174446 396462384 /nfs/dbraw/zinc/46/23/84/396462384.db2.gz XZPHQUCXTXVQEL-YPMHNXCESA-N 0 0 305.382 0.718 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000270174440 396462447 /nfs/dbraw/zinc/46/24/47/396462447.db2.gz XZPHQUCXTXVQEL-DGCLKSJQSA-N 0 0 305.382 0.718 10 0 DCAERN Cc1noc(CNC(=O)N2CCN(c3ccc(F)cn3)CC2)n1 ZINC000371425546 396466617 /nfs/dbraw/zinc/46/66/17/396466617.db2.gz SXWSLNGFPIKJEK-UHFFFAOYSA-N 0 0 320.328 0.944 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CC(n2ccnn2)C1 ZINC000371669573 396473916 /nfs/dbraw/zinc/47/39/16/396473916.db2.gz GGACVSVOPWCKQF-UHFFFAOYSA-N 0 0 321.287 0.370 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CCN3CCOC[C@H]3C2)ccc1F ZINC000371869217 396479092 /nfs/dbraw/zinc/47/90/92/396479092.db2.gz FEHRRKKJWOEADB-CYBMUJFWSA-N 0 0 321.352 0.941 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)CC1=O ZINC000371945820 396480511 /nfs/dbraw/zinc/48/05/11/396480511.db2.gz BKCCVYVTCDQWLL-FVCCEPFGSA-N 0 0 309.410 0.941 10 0 DCAERN CN(C)C(=O)CN1CCC(NC(=O)N2CCC23CCC3)CC1 ZINC000530725094 396582208 /nfs/dbraw/zinc/58/22/08/396582208.db2.gz QVAQTJXWLFFUKI-UHFFFAOYSA-N 0 0 308.426 0.877 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H](CO)C1CCC1 ZINC000594800928 396517565 /nfs/dbraw/zinc/51/75/65/396517565.db2.gz JYUQKBZFHJKFSG-VIFPVBQESA-N 0 0 319.404 0.974 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000372465880 396519425 /nfs/dbraw/zinc/51/94/25/396519425.db2.gz SKAYIPNLZGJGBY-GHMZBOCLSA-N 0 0 304.394 0.985 10 0 DCAERN O=C1[C@H](Nc2cncc(OCCO)n2)CN1c1ccc(F)cc1 ZINC000372489492 396521945 /nfs/dbraw/zinc/52/19/45/396521945.db2.gz FZRWVDBKMAAFGP-GFCCVEGCSA-N 0 0 318.308 0.814 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000527502170 396536328 /nfs/dbraw/zinc/53/63/28/396536328.db2.gz JWVXIOLXYDRIQD-UWVGGRQHSA-N 0 0 309.432 0.427 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000581352644 396546644 /nfs/dbraw/zinc/54/66/44/396546644.db2.gz PMGGCDXNCMNCNC-BMIGLBTASA-N 0 0 305.334 0.137 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000373051690 396562269 /nfs/dbraw/zinc/56/22/69/396562269.db2.gz LLAYECMCDPCJTG-QWHCGFSZSA-N 0 0 308.378 0.596 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218475 396648441 /nfs/dbraw/zinc/64/84/41/396648441.db2.gz SEJVFQCVOZREIH-KKUMJFAQSA-N 0 0 308.353 0.791 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccc2n[nH]cc21 ZINC000585735077 396651416 /nfs/dbraw/zinc/65/14/16/396651416.db2.gz OQTYDTBVGOYVCI-UHFFFAOYSA-N 0 0 322.390 0.718 10 0 DCAERN COc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000585738080 396651852 /nfs/dbraw/zinc/65/18/52/396651852.db2.gz LTPQJWUXPBHCBL-UHFFFAOYSA-N 0 0 312.391 0.851 10 0 DCAERN CCCc1cc(C(=O)NCCCN2CCCS2(=O)=O)[nH]n1 ZINC000585736088 396651894 /nfs/dbraw/zinc/65/18/94/396651894.db2.gz OTVYJZXKCNZUMN-UHFFFAOYSA-N 0 0 314.411 0.518 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1Cc2ccccc2O1 ZINC000585736962 396652245 /nfs/dbraw/zinc/65/22/45/396652245.db2.gz WBIQMAHYHJBMLF-CQSZACIVSA-N 0 0 324.402 0.532 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC1(CO)Cc2ccccc2C1 ZINC000373437039 396591747 /nfs/dbraw/zinc/59/17/47/396591747.db2.gz YIKFEWXJSDCEQG-AWEZNQCLSA-N 0 0 320.414 0.554 10 0 DCAERN Cn1ccnc1[C@@H]1CN(c2cc(=O)n3ccccc3n2)CCN1C ZINC000373679909 396607491 /nfs/dbraw/zinc/60/74/91/396607491.db2.gz HOIOLTAFMPXKFN-ZDUSSCGKSA-N 0 0 324.388 0.921 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000373708166 396608962 /nfs/dbraw/zinc/60/89/62/396608962.db2.gz NVLLNHSJNOUYPZ-AVGNSLFASA-N 0 0 324.425 0.553 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000293523265 396614464 /nfs/dbraw/zinc/61/44/64/396614464.db2.gz BCTGEPVKBMWYRZ-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CC(=O)N1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000373931183 396624973 /nfs/dbraw/zinc/62/49/73/396624973.db2.gz ASPNQGGHICEWHX-CVEARBPZSA-N 0 0 323.437 0.711 10 0 DCAERN Cc1ncc(CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)s1 ZINC000374497656 396668211 /nfs/dbraw/zinc/66/82/11/396668211.db2.gz TXCOPBKFDMPXIK-SNVBAGLBSA-N 0 0 318.424 0.414 10 0 DCAERN COCCOc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)ccn1 ZINC000374962579 396701406 /nfs/dbraw/zinc/70/14/06/396701406.db2.gz KTHXVCLLWFENCF-AWEZNQCLSA-N 0 0 321.377 0.263 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N1CCO[C@@]2(CCOC2)C1 ZINC000375114452 396712472 /nfs/dbraw/zinc/71/24/72/396712472.db2.gz MGFOLNNFLDDFIK-ZFWWWQNUSA-N 0 0 314.382 0.383 10 0 DCAERN COC(=O)c1cc(CN2CCO[C@H](C(=O)C3CC3)C2)cn1C ZINC000589517554 396717698 /nfs/dbraw/zinc/71/76/98/396717698.db2.gz NBQZCXVZTQIFGU-AWEZNQCLSA-N 0 0 306.362 0.992 10 0 DCAERN c1cn2c(nnc2C2CC2)c(N2CCO[C@]3(CCOC3)C2)n1 ZINC000302233479 396718846 /nfs/dbraw/zinc/71/88/46/396718846.db2.gz ZBWAQSWXHCGMKX-OAHLLOKOSA-N 0 0 301.350 0.997 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000589617743 396720080 /nfs/dbraw/zinc/72/00/80/396720080.db2.gz NDUVFZRFKJNSBN-YPMHNXCESA-N 0 0 317.455 0.952 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)c(F)c1 ZINC000629393348 396736458 /nfs/dbraw/zinc/73/64/58/396736458.db2.gz ANTCVUOKJUVZMG-NSHDSACASA-N 0 0 308.309 0.745 10 0 DCAERN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@](O)(C(N)=O)C1 ZINC000375479033 396753824 /nfs/dbraw/zinc/75/38/24/396753824.db2.gz WWHFKRWBXLFNLX-IAQYHMDHSA-N 0 0 322.413 0.552 10 0 DCAERN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@@](O)(C(N)=O)C1 ZINC000375479032 396754099 /nfs/dbraw/zinc/75/40/99/396754099.db2.gz WWHFKRWBXLFNLX-ABAIWWIYSA-N 0 0 322.413 0.552 10 0 DCAERN O=C1CN[C@H](c2ncc(I)s2)C(=O)N1 ZINC000307746651 396757887 /nfs/dbraw/zinc/75/78/87/396757887.db2.gz VYYWLQXPPZFXHO-YFKPBYRVSA-N 0 0 323.115 0.035 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)CC1=O ZINC000375577786 396774076 /nfs/dbraw/zinc/77/40/76/396774076.db2.gz HPFHNLYHDHYZQI-FMCLSXCISA-N 0 0 308.378 0.655 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000625192231 396798152 /nfs/dbraw/zinc/79/81/52/396798152.db2.gz AVFARVQMYNRVGH-GFCCVEGCSA-N 0 0 306.366 0.685 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(n3ccnn3)C1)CO2 ZINC000375781003 396817761 /nfs/dbraw/zinc/81/77/61/396817761.db2.gz SIZQIZPOTLKVDZ-LBPRGKRZSA-N 0 0 314.345 0.921 10 0 DCAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)Cn2ccnn2)C1 ZINC000328627167 396824115 /nfs/dbraw/zinc/82/41/15/396824115.db2.gz MNCHUCZGURTHCW-LBPRGKRZSA-N 0 0 316.365 0.419 10 0 DCAERN CCN1CCN(C(=O)c2c[nH]c(C)n2)C[C@@H]1c1nccn1C ZINC000328644364 396829154 /nfs/dbraw/zinc/82/91/54/396829154.db2.gz ZETUXDYNCCVRSU-CYBMUJFWSA-N 0 0 302.382 0.971 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1scnc1C1CC1 ZINC000611180988 396830116 /nfs/dbraw/zinc/83/01/16/396830116.db2.gz OJOGWZCBXWVUPC-VIFPVBQESA-N 0 0 323.374 0.524 10 0 DCAERN Cc1nnc(N2CCN3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC000564588199 396846169 /nfs/dbraw/zinc/84/61/69/396846169.db2.gz GBSRZMUYXXFNEO-KBPBESRZSA-N 0 0 307.398 0.144 10 0 DCAERN C[C@H](CNC(=O)CSCc1ccc(F)cc1)S(N)(=O)=O ZINC000611257826 396847161 /nfs/dbraw/zinc/84/71/61/396847161.db2.gz ULCIHCMCDOETHF-SECBINFHSA-N 0 0 320.411 0.852 10 0 DCAERN CC(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000634446314 396852353 /nfs/dbraw/zinc/85/23/53/396852353.db2.gz HENSDSYPLADFLW-CHWSQXEVSA-N 0 0 316.423 0.865 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCC[C@@H]1C1CC1 ZINC000590871598 396852418 /nfs/dbraw/zinc/85/24/18/396852418.db2.gz BVFFMARVYNVNJL-CYBMUJFWSA-N 0 0 315.439 0.996 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)NC1CN(c2ccncn2)C1 ZINC000634451617 396853625 /nfs/dbraw/zinc/85/36/25/396853625.db2.gz RENATPBXQBPYHN-CYBMUJFWSA-N 0 0 303.366 0.182 10 0 DCAERN COCCC1(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000332760804 396891694 /nfs/dbraw/zinc/89/16/94/396891694.db2.gz RFGTVTAPBUKRST-UONOGXRCSA-N 0 0 311.426 0.918 10 0 DCAERN CC(C)(C)OC(=O)CCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000376303333 396906810 /nfs/dbraw/zinc/90/68/10/396906810.db2.gz LNVRFUOLTIPGJB-GFCCVEGCSA-N 0 0 313.398 0.444 10 0 DCAERN CCCCNC(=O)CN1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000611659779 396904611 /nfs/dbraw/zinc/90/46/11/396904611.db2.gz GKEROMIDMZQGKT-HNNXBMFYSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000591587472 396931550 /nfs/dbraw/zinc/93/15/50/396931550.db2.gz ZHYXINUZTWBWSP-VXGBXAGGSA-N 0 0 303.428 0.900 10 0 DCAERN COC(=O)c1ccc2c(c1)CN(C(=O)NCc1cn(C)nn1)C2 ZINC000611941269 396952621 /nfs/dbraw/zinc/95/26/21/396952621.db2.gz MHFXMTOBEQCODE-UHFFFAOYSA-N 0 0 315.333 0.827 10 0 DCAERN c1nnc(CN2CCN(c3nccnn3)CC2)n1-c1ccccc1 ZINC000625645338 396965293 /nfs/dbraw/zinc/96/52/93/396965293.db2.gz XNQVIYIOZOMAPD-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN C[C@@H](CC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000625729799 396988139 /nfs/dbraw/zinc/98/81/39/396988139.db2.gz ZKGYVAORKRMKEP-YUMQZZPRSA-N 0 0 302.318 0.854 10 0 DCAERN CO[C@@](C)(C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C1CC1 ZINC000618676009 397009333 /nfs/dbraw/zinc/00/93/33/397009333.db2.gz KDYHDYKVAQTKGF-ZWNOBZJWSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(F)cn2)CCN1S(C)(=O)=O ZINC000618677142 397010111 /nfs/dbraw/zinc/01/01/11/397010111.db2.gz YEGOHMYQKWURLM-SECBINFHSA-N 0 0 301.343 0.327 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccnn1CC ZINC000618754440 397023129 /nfs/dbraw/zinc/02/31/29/397023129.db2.gz BBJPXWDSACPGGL-VHSXEESVSA-N 0 0 310.354 0.089 10 0 DCAERN CCC[C@H](C)NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000618795088 397025510 /nfs/dbraw/zinc/02/55/10/397025510.db2.gz BFSLFCSNSLHHMU-AXFHLTTASA-N 0 0 301.387 0.931 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCSC ZINC000618811146 397028222 /nfs/dbraw/zinc/02/82/22/397028222.db2.gz YRFOISIOWFCDQI-DTWKUNHWSA-N 0 0 305.400 0.105 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000625912893 397031925 /nfs/dbraw/zinc/03/19/25/397031925.db2.gz MESZSZNKLWQVTQ-PHIMTYICSA-N 0 0 311.426 0.910 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000376787227 396977854 /nfs/dbraw/zinc/97/78/54/396977854.db2.gz KBBFKIPQEZKRIO-LBPRGKRZSA-N 0 0 319.361 0.865 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000626182466 397105367 /nfs/dbraw/zinc/10/53/67/397105367.db2.gz LOVZTKPKVKOJAR-ZDUSSCGKSA-N 0 0 305.334 0.997 10 0 DCAERN O=C(NCCn1cncn1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000601302302 397047115 /nfs/dbraw/zinc/04/71/15/397047115.db2.gz LZXJFYJWIKCGOG-ZDUSSCGKSA-N 0 0 320.397 0.322 10 0 DCAERN CCC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571680 397048188 /nfs/dbraw/zinc/04/81/88/397048188.db2.gz RISOLYCYDZDMMZ-KGLIPLIRSA-N 0 0 307.394 0.815 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573962 397049735 /nfs/dbraw/zinc/04/97/35/397049735.db2.gz LXPKZXPENORJAF-OAHLLOKOSA-N 0 0 319.405 0.769 10 0 DCAERN CC(C)[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630574926 397050693 /nfs/dbraw/zinc/05/06/93/397050693.db2.gz UXKZETKMOCDCTR-GJZGRUSLSA-N 0 0 321.421 0.919 10 0 DCAERN CN1C[C@@H](CNC(=O)c2cc(Br)c[nH]2)CC1=O ZINC000619008979 397061256 /nfs/dbraw/zinc/06/12/56/397061256.db2.gz AUBCRHRKRIGDNH-SSDOTTSWSA-N 0 0 300.156 0.985 10 0 DCAERN c1nc2n(n1)[C@H](CSc1nnnn1C1CCOCC1)CC2 ZINC000631010718 397155643 /nfs/dbraw/zinc/15/56/43/397155643.db2.gz QUBBIIMVPNYBND-JTQLQIEISA-N 0 0 307.383 0.896 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000598168531 397182338 /nfs/dbraw/zinc/18/23/38/397182338.db2.gz QCJOGXHBVINLAA-OAHLLOKOSA-N 0 0 312.366 0.082 10 0 DCAERN COC[C@H]1CN(C(=O)NCc2nnc3n2CCC3)CC(C)(C)O1 ZINC000573584979 397184029 /nfs/dbraw/zinc/18/40/29/397184029.db2.gz PTZRUFSUEFGILD-LLVKDONJSA-N 0 0 323.397 0.560 10 0 DCAERN CCN1CC[C@H](NC(=O)Nc2cc(C(=O)OC)ccn2)C1=O ZINC000619796261 397193787 /nfs/dbraw/zinc/19/37/87/397193787.db2.gz NPWWVHKNLZYTPI-JTQLQIEISA-N 0 0 306.322 0.611 10 0 DCAERN CCN1CC[C@H](NC(=O)NCc2ccc([S@](C)=O)cc2)C1=O ZINC000619803416 397196616 /nfs/dbraw/zinc/19/66/16/397196616.db2.gz BOQUPODZFWSXOE-XMHCIUCPSA-N 0 0 323.418 0.844 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccnc(C2CC2)n1 ZINC000601719059 397219592 /nfs/dbraw/zinc/21/95/92/397219592.db2.gz STTSRZXIZPETTF-UHFFFAOYSA-N 0 0 324.406 0.509 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C(C)(C)C1 ZINC000613258364 397230614 /nfs/dbraw/zinc/23/06/14/397230614.db2.gz WSNRQYIMOFXJJY-GFCCVEGCSA-N 0 0 304.394 0.984 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)Nc3cncc(F)c3)CC2)[nH]1 ZINC000577259096 397316415 /nfs/dbraw/zinc/31/64/15/397316415.db2.gz CAMWHDBVOUKEIE-UHFFFAOYSA-N 0 0 319.344 0.997 10 0 DCAERN CCOC(=O)CN(C(=O)CNC(=O)c1ccncc1)C1CCC1 ZINC000613623083 397288998 /nfs/dbraw/zinc/28/89/98/397288998.db2.gz LUTUEXAKXWHEAY-UHFFFAOYSA-N 0 0 319.361 0.756 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCCC[C@H]1CC(N)=O)CC2 ZINC000407953528 397334585 /nfs/dbraw/zinc/33/45/85/397334585.db2.gz BHVJLOLVBYOXCC-YPMHNXCESA-N 0 0 304.394 0.782 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CCC(=O)NC1 ZINC000407957113 397335858 /nfs/dbraw/zinc/33/58/58/397335858.db2.gz KWYUVVNALJZYAW-KRWDZBQOSA-N 0 0 315.373 0.778 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)O1 ZINC000407956497 397336282 /nfs/dbraw/zinc/33/62/82/397336282.db2.gz JERGWUMHFBNHDD-ZJUUUORDSA-N 0 0 305.400 0.016 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1=O ZINC000407958350 397336902 /nfs/dbraw/zinc/33/69/02/397336902.db2.gz QGOBLUIVESWPAF-MCIONIFRSA-N 0 0 306.362 0.685 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H](CO)Oc3ccccc32)c[nH]1 ZINC000366122363 397339727 /nfs/dbraw/zinc/33/97/27/397339727.db2.gz ZMURBRJOKHWWNF-JTQLQIEISA-N 0 0 309.347 0.667 10 0 DCAERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000408062946 397346101 /nfs/dbraw/zinc/34/61/01/397346101.db2.gz OFMXTOPSGZYEKQ-KDDOJWQBSA-N 0 0 308.382 0.242 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@H]1O ZINC000408093007 397346334 /nfs/dbraw/zinc/34/63/34/397346334.db2.gz MOOOJYWSTUZXLL-KYXWUPHJSA-N 0 0 308.300 0.673 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC000408140844 397348151 /nfs/dbraw/zinc/34/81/51/397348151.db2.gz UKLPVEXZGQPFMW-UHFFFAOYSA-N 0 0 324.425 0.461 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000408129915 397348415 /nfs/dbraw/zinc/34/84/15/397348415.db2.gz SKKKPUNJYYVTEN-OPRDCNLKSA-N 0 0 307.316 0.735 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCS(=O)(=O)C[C@H]2C)cnn1C ZINC000408213074 397350145 /nfs/dbraw/zinc/35/01/45/397350145.db2.gz CKFSRKWHVHSHIK-NXEZZACHSA-N 0 0 314.411 0.618 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000408213481 397350397 /nfs/dbraw/zinc/35/03/97/397350397.db2.gz HOMZOTBKZDEFMH-UTUOFQBUSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC1(O)CCC(C)CC1 ZINC000408419093 397356867 /nfs/dbraw/zinc/35/68/67/397356867.db2.gz GQRZNGQMHUJUOV-LXVYMNJGSA-N 0 0 319.423 0.200 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000366529455 397371820 /nfs/dbraw/zinc/37/18/20/397371820.db2.gz KTAYUNBORQNLDQ-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366527289 397372208 /nfs/dbraw/zinc/37/22/08/397372208.db2.gz WSGDEGRNJJYEGH-FDYHWXHSSA-N 0 0 318.439 0.755 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)CCCC2CCOCC2)C1 ZINC000621314841 397372238 /nfs/dbraw/zinc/37/22/38/397372238.db2.gz JSZJUGHBEMMKDC-CQSZACIVSA-N 0 0 318.439 0.733 10 0 DCAERN C[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)S(C)(=O)=O ZINC000366589992 397382959 /nfs/dbraw/zinc/38/29/59/397382959.db2.gz VQVWSKDAAOUUPV-MFKMUULPSA-N 0 0 305.396 0.216 10 0 DCAERN CO[C@@H]([C@@H](C)NC(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000456584075 397425755 /nfs/dbraw/zinc/42/57/55/397425755.db2.gz UXQBDVWFMJNZRL-WPGHFRTFSA-N 0 0 308.378 0.529 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000578422396 397433220 /nfs/dbraw/zinc/43/32/20/397433220.db2.gz TYRWRSPRIPCBMB-NWDGAFQWSA-N 0 0 315.377 0.824 10 0 DCAERN CCCN(CC(C)C)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000459970556 397439254 /nfs/dbraw/zinc/43/92/54/397439254.db2.gz VYGHHZXIURWWQP-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000370119280 397447656 /nfs/dbraw/zinc/44/76/56/397447656.db2.gz DRDXUKBRTKVIRV-XJKSGUPXSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000366705469 397393736 /nfs/dbraw/zinc/39/37/36/397393736.db2.gz VSMKHKFKELEPQX-WVDJIFEKSA-N 0 0 301.412 0.208 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000614236368 397403677 /nfs/dbraw/zinc/40/36/77/397403677.db2.gz UFAAKRMCNHRPDX-CQSZACIVSA-N 0 0 314.349 0.920 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)CN2CC(=O)NC2=O)cc1 ZINC000599320453 397404351 /nfs/dbraw/zinc/40/43/51/397404351.db2.gz XRMJVUWPRGWQAR-UHFFFAOYSA-N 0 0 304.306 0.160 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000367681629 397407530 /nfs/dbraw/zinc/40/75/30/397407530.db2.gz FXVCSBQSRIIZRF-GHMZBOCLSA-N 0 0 307.437 0.544 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCCC12CC2 ZINC000599520532 397463422 /nfs/dbraw/zinc/46/34/22/397463422.db2.gz PZJLDPWYEWCJCY-NSHDSACASA-N 0 0 304.412 0.896 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000487128568 397467318 /nfs/dbraw/zinc/46/73/18/397467318.db2.gz NLXGGOWVAXVJSM-YFKTTZPYSA-N 0 0 314.382 0.517 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NC[C@H](O)C2CCOCC2)[nH]n1 ZINC000487538216 397476273 /nfs/dbraw/zinc/47/62/73/397476273.db2.gz MESXELQQRVXLMI-HZMBPMFUSA-N 0 0 310.398 0.736 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)COC(C)(C)C ZINC000488301532 397489482 /nfs/dbraw/zinc/48/94/82/397489482.db2.gz WCEVWZXTWHXQDW-NXEZZACHSA-N 0 0 302.371 0.374 10 0 DCAERN CCn1nccc1C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614646748 397489771 /nfs/dbraw/zinc/48/97/71/397489771.db2.gz QXSDOVUIPBFYDX-UHFFFAOYSA-N 0 0 308.382 0.612 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccnc1C ZINC000488153609 397487176 /nfs/dbraw/zinc/48/71/76/397487176.db2.gz TUJWUILDPSOVCV-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN O=C(CN1CC[C@](O)(C2CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000370666048 397513583 /nfs/dbraw/zinc/51/35/83/397513583.db2.gz FUMWYZKUYSZQFF-QGZVFWFLSA-N 0 0 315.373 0.819 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NC(C)(CO)CO)cc21 ZINC000489530254 397497258 /nfs/dbraw/zinc/49/72/58/397497258.db2.gz NHTVWOGOMPFEHD-UHFFFAOYSA-N 0 0 305.334 0.403 10 0 DCAERN NC(=O)c1ccc(CNC(=O)NCCOCC2CCC2)cn1 ZINC000579660543 397585816 /nfs/dbraw/zinc/58/58/16/397585816.db2.gz LRXSFNARXFCCAQ-UHFFFAOYSA-N 0 0 306.366 0.796 10 0 DCAERN COc1ccc(NC(=O)NCc2nnc(C)n2C)c(OC)n1 ZINC000594419797 397545824 /nfs/dbraw/zinc/54/58/24/397545824.db2.gz RGMJPGRRSCFUDI-UHFFFAOYSA-N 0 0 306.326 0.857 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000605133653 397660332 /nfs/dbraw/zinc/66/03/32/397660332.db2.gz PIPJEKKVBDPXPA-GFCCVEGCSA-N 0 0 302.338 0.241 10 0 DCAERN COC(=O)c1ccnc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 ZINC000603407949 397607609 /nfs/dbraw/zinc/60/76/09/397607609.db2.gz JLUBGWMBKRVQSQ-ZJUUUORDSA-N 0 0 300.336 0.092 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NC(=O)NC1CC1 ZINC000603875243 397624475 /nfs/dbraw/zinc/62/44/75/397624475.db2.gz NUZPPAPWWRSXOV-RTXFEEFZSA-N 0 0 323.393 0.781 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000608219181 397721074 /nfs/dbraw/zinc/72/10/74/397721074.db2.gz DXZOJPKLHSFLOA-ZMJPVWNMSA-N 0 0 321.421 0.807 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(C)C2)o1 ZINC000606303519 397678968 /nfs/dbraw/zinc/67/89/68/397678968.db2.gz QDHMSBRXCHRSCM-VIFPVBQESA-N 0 0 302.352 0.439 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000609889662 397796223 /nfs/dbraw/zinc/79/62/23/397796223.db2.gz TZSFVPMAQNEUEU-KGLIPLIRSA-N 0 0 311.426 0.565 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)COCc1nc(C)no1 ZINC000610207875 397805715 /nfs/dbraw/zinc/80/57/15/397805715.db2.gz PWBYRSWJZFALAE-UHFFFAOYSA-N 0 0 323.309 0.742 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCCN2C)C1 ZINC000329183229 286081436 /nfs/dbraw/zinc/08/14/36/286081436.db2.gz NYSIHJMNWUCUBJ-MJBXVCDLSA-N 0 0 309.410 0.319 10 0 DCAERN CCOCCNC(=O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369554357 286095177 /nfs/dbraw/zinc/09/51/77/286095177.db2.gz XXOLTOVHWKGQEB-HNNXBMFYSA-N 0 0 300.399 0.409 10 0 DCAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000372970147 286244071 /nfs/dbraw/zinc/24/40/71/286244071.db2.gz QSRGUXZLHNCWRA-REWJHTLYSA-N 0 0 312.410 0.630 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000329515290 304406525 /nfs/dbraw/zinc/40/65/25/304406525.db2.gz DDEZGYUBGSJVJN-XQLPTFJDSA-N 0 0 322.405 0.651 10 0 DCAERN COC(=O)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000032990283 157984874 /nfs/dbraw/zinc/98/48/74/157984874.db2.gz BBCGNDQKXUHXRP-AWEZNQCLSA-N 0 0 318.373 0.757 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000047816939 158004347 /nfs/dbraw/zinc/00/43/47/158004347.db2.gz QMDZTNYUEBEXKA-SNVBAGLBSA-N 0 0 321.402 0.990 10 0 DCAERN CN(C)S(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000048960576 158008453 /nfs/dbraw/zinc/00/84/53/158008453.db2.gz TZARPVOLPDGJSW-UHFFFAOYSA-N 0 0 317.436 0.749 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2CC2)cc1-n1cnnn1 ZINC000049087171 158009316 /nfs/dbraw/zinc/00/93/16/158009316.db2.gz AHFYCXJVNNJFJD-JTQLQIEISA-N 0 0 314.349 0.824 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)CN(C)C[C@@H]1CCCO1)C(=O)OC ZINC000052101909 158016632 /nfs/dbraw/zinc/01/66/32/158016632.db2.gz BTYZTTMQYPFNJH-DYEKYZERSA-N 0 0 300.399 0.801 10 0 DCAERN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCNC(=O)CC1 ZINC000054259042 158019835 /nfs/dbraw/zinc/01/98/35/158019835.db2.gz QOXUGBGXCXBFJF-SECBINFHSA-N 0 0 317.349 0.005 10 0 DCAERN CC1(C)CCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000063074632 158031466 /nfs/dbraw/zinc/03/14/66/158031466.db2.gz MVRJRMDMMPJCLW-UHFFFAOYSA-N 0 0 318.420 0.897 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000065170722 158032842 /nfs/dbraw/zinc/03/28/42/158032842.db2.gz GJFXZWQEEKGANL-HZSPNIEDSA-N 0 0 324.421 0.776 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000068096992 158042474 /nfs/dbraw/zinc/04/24/74/158042474.db2.gz JRBGNRKGIDOGAT-MNOVXSKESA-N 0 0 316.423 0.456 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000069125874 158045678 /nfs/dbraw/zinc/04/56/78/158045678.db2.gz AWFJPIWYYHUPGA-JFGNBEQYSA-N 0 0 316.427 0.733 10 0 DCAERN COc1ccccc1NC(=O)CN(C)[C@H](C)CS(C)(=O)=O ZINC000069866299 158046309 /nfs/dbraw/zinc/04/63/09/158046309.db2.gz IILIISQDFUVRLV-LLVKDONJSA-N 0 0 314.407 0.999 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000072710452 158052098 /nfs/dbraw/zinc/05/20/98/158052098.db2.gz MAXWCIUQLUYDDL-ZDUSSCGKSA-N 0 0 311.407 0.968 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000072691747 158052400 /nfs/dbraw/zinc/05/24/00/158052400.db2.gz XBJNMAJAXOESPM-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000075018685 158061024 /nfs/dbraw/zinc/06/10/24/158061024.db2.gz QPLUFWUMFFJTMZ-UHFFFAOYSA-N 0 0 312.395 0.036 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000077847021 158071564 /nfs/dbraw/zinc/07/15/64/158071564.db2.gz UUVXICITLUIQJK-NEPJUHHUSA-N 0 0 307.394 0.905 10 0 DCAERN CCOC(=O)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079095035 158077971 /nfs/dbraw/zinc/07/79/71/158077971.db2.gz DJQAERWIABFSKR-UHFFFAOYSA-N 0 0 303.318 0.996 10 0 DCAERN COC(=O)[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(C)C ZINC000079461802 158079121 /nfs/dbraw/zinc/07/91/21/158079121.db2.gz DOMSQDWCPXJBMI-CYBMUJFWSA-N 0 0 305.334 0.643 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CCC(=O)N1CCOCC1 ZINC000081567596 158085545 /nfs/dbraw/zinc/08/55/45/158085545.db2.gz XPERSZPXTREUAP-GFCCVEGCSA-N 0 0 300.399 0.897 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000083613920 158087378 /nfs/dbraw/zinc/08/73/78/158087378.db2.gz RPDBVAJILGHSFL-LBPRGKRZSA-N 0 0 304.412 0.486 10 0 DCAERN CSc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000083856314 158089147 /nfs/dbraw/zinc/08/91/47/158089147.db2.gz VRLKAFQGTGFDAO-AWEZNQCLSA-N 0 0 305.359 0.833 10 0 DCAERN COC(=O)[C@@H](CS(=O)(=O)Cc1cccc(C)c1)NC(C)=O ZINC000088117920 158093363 /nfs/dbraw/zinc/09/33/63/158093363.db2.gz VXWDKQRXLBEWQB-CYBMUJFWSA-N 0 0 313.375 0.588 10 0 DCAERN C[C@H](NC(=O)[C@H]1COCCN1)c1ccc(S(C)(=O)=O)cc1 ZINC000088371858 158094486 /nfs/dbraw/zinc/09/44/86/158094486.db2.gz XZAAZRFJSFJWQJ-GXFFZTMASA-N 0 0 312.391 0.256 10 0 DCAERN CCOc1c(F)cccc1C(=O)N1CCN(C(=O)CO)CC1 ZINC000089548579 158098555 /nfs/dbraw/zinc/09/85/55/158098555.db2.gz TZWZLRZHZZOWIY-UHFFFAOYSA-N 0 0 310.325 0.501 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)o1 ZINC000089753851 158098619 /nfs/dbraw/zinc/09/86/19/158098619.db2.gz WJJKRALWPQEDEH-RXMQYKEDSA-N 0 0 301.096 0.577 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NC[C@@](C)(O)CO)c1cccs1 ZINC000090287197 158103115 /nfs/dbraw/zinc/10/31/15/158103115.db2.gz OHVPRESXNNYDET-GXFFZTMASA-N 0 0 300.380 0.175 10 0 DCAERN CN(CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C(N)=O ZINC000090500333 158103764 /nfs/dbraw/zinc/10/37/64/158103764.db2.gz YBCVTWFFDVURPQ-ZDUSSCGKSA-N 0 0 318.377 0.304 10 0 DCAERN COCCN(CCOC)C(=O)c1cnc2c(C)cccn2c1=O ZINC000090988647 158106965 /nfs/dbraw/zinc/10/69/65/158106965.db2.gz GFDWZVFQBKIKQR-UHFFFAOYSA-N 0 0 319.361 0.738 10 0 DCAERN CC[C@@H]1CN(CC(=O)N2CCN(C)CC2)CCN1CC(F)F ZINC000093256612 158119435 /nfs/dbraw/zinc/11/94/35/158119435.db2.gz VACJDQFJZAKXRI-CYBMUJFWSA-N 0 0 318.412 0.422 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093531385 158121684 /nfs/dbraw/zinc/12/16/84/158121684.db2.gz FTKDNTPLVPLPIC-ZDUSSCGKSA-N 0 0 321.406 0.595 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCCO ZINC000094946142 158124233 /nfs/dbraw/zinc/12/42/33/158124233.db2.gz VROXKLBUXWCTBV-RYUDHWBXSA-N 0 0 306.428 0.468 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)NCCCN1CCCC1=O ZINC000097464194 158125559 /nfs/dbraw/zinc/12/55/59/158125559.db2.gz RADGKBZTWWZNAU-UHFFFAOYSA-N 0 0 318.439 0.576 10 0 DCAERN Cc1noc(CN2CCN(CC(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000101545863 158127096 /nfs/dbraw/zinc/12/70/96/158127096.db2.gz AZPLPSRKASDSDZ-CYBMUJFWSA-N 0 0 321.425 0.754 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CCCOC3)CC2)no1 ZINC000110945284 158138886 /nfs/dbraw/zinc/13/88/86/158138886.db2.gz YITMYAPAOZZGGN-ZDUSSCGKSA-N 0 0 308.382 0.839 10 0 DCAERN C[C@H](C(=O)NCC1(C)COC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000112619148 158142926 /nfs/dbraw/zinc/14/29/26/158142926.db2.gz MEEWSIYNUWKRLR-UTUOFQBUSA-N 0 0 308.378 0.703 10 0 DCAERN COCCOCC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114312220 158151759 /nfs/dbraw/zinc/15/17/59/158151759.db2.gz OUDWWXWAZYWYPM-AWEZNQCLSA-N 0 0 306.362 0.961 10 0 DCAERN NC(=O)NCC(=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000114799534 158156340 /nfs/dbraw/zinc/15/63/40/158156340.db2.gz RJCDRUQMQUTLCC-UHFFFAOYSA-N 0 0 323.740 0.717 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC000114864676 158158851 /nfs/dbraw/zinc/15/88/51/158158851.db2.gz XIYFWCGNIDFSKF-GHMZBOCLSA-N 0 0 320.397 0.062 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCc1nc(C)no1)CC2 ZINC000114871394 158159147 /nfs/dbraw/zinc/15/91/47/158159147.db2.gz ZFAVRDPIIIDLNH-LLVKDONJSA-N 0 0 318.381 0.986 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)c1cccc(-n2cncn2)c1 ZINC000115386531 158161191 /nfs/dbraw/zinc/16/11/91/158161191.db2.gz XXKSFQAHRKZOIQ-UHFFFAOYSA-N 0 0 313.317 0.146 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994989 158168695 /nfs/dbraw/zinc/16/86/95/158168695.db2.gz VLXMTKDZDPZSJK-NEPJUHHUSA-N 0 0 303.428 0.011 10 0 DCAERN CCC(CC)CS(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116904201 158168816 /nfs/dbraw/zinc/16/88/16/158168816.db2.gz UQPPXYQTRXIPPD-NSHDSACASA-N 0 0 312.457 0.376 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000117369738 158171533 /nfs/dbraw/zinc/17/15/33/158171533.db2.gz UGDOCWURIGGKRZ-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCC[S@@](C)=O)c1 ZINC000117925102 158174572 /nfs/dbraw/zinc/17/45/72/158174572.db2.gz WIYMEOJMQUSISL-SFHVURJKSA-N 0 0 305.421 0.883 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@H](C)COC)CC1 ZINC000117919574 158174795 /nfs/dbraw/zinc/17/47/95/158174795.db2.gz XEAVPIHIYXIFGM-LLVKDONJSA-N 0 0 316.427 0.842 10 0 DCAERN CCS(=O)(=O)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000118399487 158177166 /nfs/dbraw/zinc/17/71/66/158177166.db2.gz NXQZHENJKVYCCN-AWEZNQCLSA-N 0 0 304.456 0.608 10 0 DCAERN Cn1cccc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119104325 158183035 /nfs/dbraw/zinc/18/30/35/158183035.db2.gz HDRSLVLGKOQEFH-GFCCVEGCSA-N 0 0 311.407 0.665 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000119562360 158189625 /nfs/dbraw/zinc/18/96/25/158189625.db2.gz SQBNCUCQKWCIKK-GOEBONIOSA-N 0 0 320.389 0.662 10 0 DCAERN Cn1nccc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120000825 158192062 /nfs/dbraw/zinc/19/20/62/158192062.db2.gz JJECKOOCFAUCSZ-NSHDSACASA-N 0 0 312.395 0.060 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)[nH]n1 ZINC000119986812 158192465 /nfs/dbraw/zinc/19/24/65/158192465.db2.gz WHVQAMUCFBOAHO-NSHDSACASA-N 0 0 312.395 0.358 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120070698 158193562 /nfs/dbraw/zinc/19/35/62/158193562.db2.gz OHEUOFVREJQBAF-MLGOLLRUSA-N 0 0 305.378 0.891 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC(n2cncn2)CC1 ZINC000120190567 158194650 /nfs/dbraw/zinc/19/46/50/158194650.db2.gz HQNYRXYXLGIJSR-UHFFFAOYSA-N 0 0 314.411 0.655 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)c1cc(C(N)=O)cn1C ZINC000120677199 158202054 /nfs/dbraw/zinc/20/20/54/158202054.db2.gz HRNDEPCRRYLLOV-UHFFFAOYSA-N 0 0 317.393 0.912 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000120652885 158202497 /nfs/dbraw/zinc/20/24/97/158202497.db2.gz NPZCFVLHUAJPCZ-QEJZJMRPSA-N 0 0 303.362 0.565 10 0 DCAERN CCCn1cc(CN2CCN(CC(=O)NC3CC3)CC2)cn1 ZINC000120758310 158203445 /nfs/dbraw/zinc/20/34/45/158203445.db2.gz UZBXAKDEAVXGNS-UHFFFAOYSA-N 0 0 305.426 0.689 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000120773940 158204270 /nfs/dbraw/zinc/20/42/70/158204270.db2.gz VRVYAYKLWHJBSL-LLVKDONJSA-N 0 0 315.443 0.893 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000121267412 158209366 /nfs/dbraw/zinc/20/93/66/158209366.db2.gz LTZDJKNAADFGGM-UONOGXRCSA-N 0 0 308.382 0.781 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000121559046 158211335 /nfs/dbraw/zinc/21/13/35/158211335.db2.gz UHTFGPHAXZNELB-VXGBXAGGSA-N 0 0 310.398 0.162 10 0 DCAERN Nc1nc(N)nc(CN2CCO[C@H](c3cccc(O)c3)C2)n1 ZINC000121591513 158212921 /nfs/dbraw/zinc/21/29/21/158212921.db2.gz DXFWDTKQKZGIGS-NSHDSACASA-N 0 0 302.338 0.315 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121707303 158213960 /nfs/dbraw/zinc/21/39/60/158213960.db2.gz UJWSQIULVMGHKX-JTQLQIEISA-N 0 0 301.416 0.852 10 0 DCAERN CCn1cc(C(=O)C(=O)N2c3ccccc3C[C@H]2C(N)=O)cn1 ZINC000121758024 158214084 /nfs/dbraw/zinc/21/40/84/158214084.db2.gz RYYUHYXVQNNETL-ZDUSSCGKSA-N 0 0 312.329 0.529 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C[C@@H]1C ZINC000122242472 158219307 /nfs/dbraw/zinc/21/93/07/158219307.db2.gz NCCNAECSWRXRMR-GXTWGEPZSA-N 0 0 321.425 0.629 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)c2cnn(C)c2)cc1 ZINC000122584981 158222172 /nfs/dbraw/zinc/22/21/72/158222172.db2.gz MUYUFGRHACFGGL-UHFFFAOYSA-N 0 0 308.363 0.605 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)n1 ZINC000122820131 158223638 /nfs/dbraw/zinc/22/36/38/158223638.db2.gz ZMGDMCDITSNJSX-DGCLKSJQSA-N 0 0 323.397 0.773 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)C[C@@H](C)O1 ZINC000123485156 158230180 /nfs/dbraw/zinc/23/01/80/158230180.db2.gz AKFAGZQZVWXLJY-ZWNOBZJWSA-N 0 0 310.394 0.554 10 0 DCAERN CN(CC(=O)Nc1nc2c(s1)CCC2)CC(=O)NC1CC1 ZINC000123725291 158233065 /nfs/dbraw/zinc/23/30/65/158233065.db2.gz OXSLZNWCQMPUQZ-UHFFFAOYSA-N 0 0 308.407 0.781 10 0 DCAERN CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000123676905 158233205 /nfs/dbraw/zinc/23/32/05/158233205.db2.gz KGYWQKBFFPGXSO-CYBMUJFWSA-N 0 0 322.409 0.448 10 0 DCAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1cccc(F)c1 ZINC000123684049 158233213 /nfs/dbraw/zinc/23/32/13/158233213.db2.gz YMLBYTSZHARAPR-ZDUSSCGKSA-N 0 0 314.382 0.967 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000124318229 158241038 /nfs/dbraw/zinc/24/10/38/158241038.db2.gz CDUGODSBEGPLMB-GXTWGEPZSA-N 0 0 312.410 0.824 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)no1 ZINC000124649060 158245006 /nfs/dbraw/zinc/24/50/06/158245006.db2.gz VNRBTGDUJNBLRK-JTQLQIEISA-N 0 0 301.306 0.418 10 0 DCAERN Cn1nccc1NC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000124816076 158248225 /nfs/dbraw/zinc/24/82/25/158248225.db2.gz JYSBYZYYXJRYDN-UHFFFAOYSA-N 0 0 309.351 0.389 10 0 DCAERN C[C@@H](CNC(=O)C[C@H]1c2ccccc2NC1=O)N1CCOCC1 ZINC000125076183 158250271 /nfs/dbraw/zinc/25/02/71/158250271.db2.gz KGWAUWVULZEAHN-JSGCOSHPSA-N 0 0 317.389 0.949 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000125217565 158252050 /nfs/dbraw/zinc/25/20/50/158252050.db2.gz DYRVWNWTWRZJSR-CHWSQXEVSA-N 0 0 314.430 0.311 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CC1=O ZINC000125998115 158260214 /nfs/dbraw/zinc/26/02/14/158260214.db2.gz RIGHUOTXBJSPCR-CQSZACIVSA-N 0 0 304.394 0.990 10 0 DCAERN CCc1ccc(C(=O)N2CCN(C(=O)CC(=O)NC)CC2)cc1 ZINC000126860276 158268978 /nfs/dbraw/zinc/26/89/78/158268978.db2.gz RBOIIWAGUCWOMV-UHFFFAOYSA-N 0 0 317.389 0.670 10 0 DCAERN COCCc1cc(NC(=O)N2CCNC(=O)[C@@H]2C(C)C)n(C)n1 ZINC000127504387 158274786 /nfs/dbraw/zinc/27/47/86/158274786.db2.gz KTAWRXQQIPUMIB-ZDUSSCGKSA-N 0 0 323.397 0.597 10 0 DCAERN CC(C)[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)N1CCOCC1 ZINC000127751045 158275663 /nfs/dbraw/zinc/27/56/63/158275663.db2.gz UDNAHIQESZTDPD-GFCCVEGCSA-N 0 0 309.370 0.425 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N[C@@H](C)CO)n1 ZINC000130486847 158295637 /nfs/dbraw/zinc/29/56/37/158295637.db2.gz UPIUIZJTQBZYSY-NSHDSACASA-N 0 0 302.334 0.616 10 0 DCAERN CC[C@@H](NC(=O)CN1CCCS1(=O)=O)c1nccs1 ZINC000131535253 158303434 /nfs/dbraw/zinc/30/34/34/158303434.db2.gz UMHMSZRRPKUFIU-SECBINFHSA-N 0 0 303.409 0.746 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000132970750 158315213 /nfs/dbraw/zinc/31/52/13/158315213.db2.gz NWZBTRQMTPRFTQ-JQWIXIFHSA-N 0 0 324.402 0.864 10 0 DCAERN COCCCCS(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000133100008 158316215 /nfs/dbraw/zinc/31/62/15/158316215.db2.gz HHIVOPRADNTMGL-KBPBESRZSA-N 0 0 322.471 0.832 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000133651373 158320773 /nfs/dbraw/zinc/32/07/73/158320773.db2.gz MOSGWHCJWLXPHZ-UHFFFAOYSA-N 0 0 315.395 0.230 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCC1=O ZINC000134108364 158324612 /nfs/dbraw/zinc/32/46/12/158324612.db2.gz ADWWTBXSNNSZHQ-NEPJUHHUSA-N 0 0 307.394 0.515 10 0 DCAERN CC(C)[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)C(N)=O ZINC000134658971 158328550 /nfs/dbraw/zinc/32/85/50/158328550.db2.gz ALQFHRZXQVMEBV-GFCCVEGCSA-N 0 0 320.397 0.255 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCOCC1 ZINC000134933280 158332517 /nfs/dbraw/zinc/33/25/17/158332517.db2.gz FFBGQCMDTSTJSB-UKRRQHHQSA-N 0 0 311.426 0.918 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C(N)=O)C(C)C)CC2 ZINC000135296245 158335056 /nfs/dbraw/zinc/33/50/56/158335056.db2.gz XZPXJICLHHWJAR-CMPLNLGQSA-N 0 0 322.413 0.525 10 0 DCAERN C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCC2 ZINC000135353383 158335949 /nfs/dbraw/zinc/33/59/49/158335949.db2.gz WCFAXPCCLJFOFT-VIFPVBQESA-N 0 0 304.354 0.400 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(OCCO)CC2)c1 ZINC000135381592 158336202 /nfs/dbraw/zinc/33/62/02/158336202.db2.gz XVRWEGVTEONREQ-UHFFFAOYSA-N 0 0 303.384 0.065 10 0 DCAERN COC(=O)NCCCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135390296 158336589 /nfs/dbraw/zinc/33/65/89/158336589.db2.gz GUBZIYKSLBBARU-SNVBAGLBSA-N 0 0 309.370 0.928 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135752024 158339904 /nfs/dbraw/zinc/33/99/04/158339904.db2.gz ZJPDBTHIMAZEGA-STQMWFEESA-N 0 0 306.366 0.754 10 0 DCAERN CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000136064378 158341795 /nfs/dbraw/zinc/34/17/95/158341795.db2.gz JAUDHYZGMRNFBO-MRXNPFEDSA-N 0 0 310.486 0.957 10 0 DCAERN COCCC1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000151591457 158348750 /nfs/dbraw/zinc/34/87/50/158348750.db2.gz DMZFKICRJGGTBG-AWEZNQCLSA-N 0 0 311.426 0.919 10 0 DCAERN O=C(C1CC1)N1CCCN(c2cncc(OCCO)n2)CC1 ZINC000152819586 158349502 /nfs/dbraw/zinc/34/95/02/158349502.db2.gz JYJXJSKYJTXEOH-UHFFFAOYSA-N 0 0 306.366 0.296 10 0 DCAERN Cc1cc(CN2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)on1 ZINC000162652912 158360686 /nfs/dbraw/zinc/36/06/86/158360686.db2.gz ZWIKQLOHGGHJDU-GFCCVEGCSA-N 0 0 315.439 0.781 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000167079296 158366953 /nfs/dbraw/zinc/36/69/53/158366953.db2.gz RJPGMVNQTDSMQD-SECBINFHSA-N 0 0 300.380 0.947 10 0 DCAERN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562911 158374853 /nfs/dbraw/zinc/37/48/53/158374853.db2.gz QPCSVBIKZWCQEC-UWVGGRQHSA-N 0 0 306.318 0.265 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683817 158375804 /nfs/dbraw/zinc/37/58/04/158375804.db2.gz GZFCHBCWCSXYBX-CQSZACIVSA-N 0 0 319.405 0.584 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccco2)C1 ZINC000170715108 158375880 /nfs/dbraw/zinc/37/58/80/158375880.db2.gz QRGKULVWMWFFQS-WDEREUQCSA-N 0 0 308.334 0.810 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCCOC1)C2=O ZINC000171694834 158385032 /nfs/dbraw/zinc/38/50/32/158385032.db2.gz PNFPKUWLYMSJOK-LLVKDONJSA-N 0 0 302.330 0.886 10 0 DCAERN CCCC(=O)NCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000171863831 158387269 /nfs/dbraw/zinc/38/72/69/158387269.db2.gz XDVPDHMLERBOEZ-UHFFFAOYSA-N 0 0 323.397 0.329 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCc1cccnc1-n1cccn1 ZINC000171900691 158387496 /nfs/dbraw/zinc/38/74/96/158387496.db2.gz XNIZHFMQCYCYBO-UHFFFAOYSA-N 0 0 316.365 0.545 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000172223655 158392584 /nfs/dbraw/zinc/39/25/84/158392584.db2.gz WZWFCUFLEPWRSV-ZDUSSCGKSA-N 0 0 301.346 0.577 10 0 DCAERN CC[C@@H](COC)NC(=O)NCc1cccnc1-n1cncn1 ZINC000172398062 158393710 /nfs/dbraw/zinc/39/37/10/158393710.db2.gz UMECPAQXNGCXNW-LBPRGKRZSA-N 0 0 304.354 0.887 10 0 DCAERN CN1CC[C@@H](NC(=O)NC2CCN(c3ccccn3)CC2)C1=O ZINC000172356325 158393743 /nfs/dbraw/zinc/39/37/43/158393743.db2.gz NSCHIKCJFLHRAZ-CYBMUJFWSA-N 0 0 317.393 0.580 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172371389 158394284 /nfs/dbraw/zinc/39/42/84/158394284.db2.gz JABBTNLTDNZPDJ-ONXXMXGDSA-N 0 0 316.423 0.031 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCCc1cn2ccccc2n1 ZINC000172501571 158394923 /nfs/dbraw/zinc/39/49/23/158394923.db2.gz ZOCYSHBNVIXWDK-UHFFFAOYSA-N 0 0 323.356 0.818 10 0 DCAERN COCCCNC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000172505285 158394982 /nfs/dbraw/zinc/39/49/82/158394982.db2.gz NXCNDWKRXONEIM-UHFFFAOYSA-N 0 0 310.398 0.801 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC(c2cc[nH]n2)CC1 ZINC000172554906 158395501 /nfs/dbraw/zinc/39/55/01/158395501.db2.gz VNOPNMFDAORCMA-UHFFFAOYSA-N 0 0 313.361 0.941 10 0 DCAERN COc1cc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccn1 ZINC000172534452 158396009 /nfs/dbraw/zinc/39/60/09/158396009.db2.gz PFACMQJOACWEFS-VXGBXAGGSA-N 0 0 306.366 0.934 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172605332 158396569 /nfs/dbraw/zinc/39/65/69/158396569.db2.gz QANASPIPQBQGPU-LLVKDONJSA-N 0 0 316.427 0.672 10 0 DCAERN COC[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000172620661 158396846 /nfs/dbraw/zinc/39/68/46/158396846.db2.gz OBFVNTGXNNYCMC-NSHDSACASA-N 0 0 312.391 0.872 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000172683160 158398197 /nfs/dbraw/zinc/39/81/97/158398197.db2.gz CLWFQDLFRPZFLZ-GFCCVEGCSA-N 0 0 306.366 0.050 10 0 DCAERN CCOc1ccc(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1F ZINC000172784945 158399546 /nfs/dbraw/zinc/39/95/46/158399546.db2.gz UINIZFBRGREGQX-UHFFFAOYSA-N 0 0 322.296 0.113 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@H](N3CCOCC3)C2)cs1 ZINC000172756668 158399752 /nfs/dbraw/zinc/39/97/52/158399752.db2.gz PIMVPHSMVLKWRV-NSHDSACASA-N 0 0 324.406 0.648 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1nnnc1C(C)C)CC2 ZINC000174240671 158415756 /nfs/dbraw/zinc/41/57/56/158415756.db2.gz RKOPLDNNTXWSTN-JTQLQIEISA-N 0 0 318.385 0.082 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCC1(O)CCOCC1)C(C)C ZINC000174811296 158420785 /nfs/dbraw/zinc/42/07/85/158420785.db2.gz ZIOSUMXASXWLBT-AWEZNQCLSA-N 0 0 314.426 0.831 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)[nH]1 ZINC000180483420 158478121 /nfs/dbraw/zinc/47/81/21/158478121.db2.gz MFBLDCZLRRMZSV-GFCCVEGCSA-N 0 0 302.338 0.734 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1nnc2n1CCCC2 ZINC000180900911 158481402 /nfs/dbraw/zinc/48/14/02/158481402.db2.gz CKOPZRRLBGYIKW-UHFFFAOYSA-N 0 0 300.322 0.378 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181599658 158487340 /nfs/dbraw/zinc/48/73/40/158487340.db2.gz MTNGEDZMZYQRNH-CQSZACIVSA-N 0 0 301.346 0.813 10 0 DCAERN CC[C@](C)(CCO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000182756916 158493871 /nfs/dbraw/zinc/49/38/71/158493871.db2.gz ZMHHSPLAQJZUJB-MRXNPFEDSA-N 0 0 319.361 0.357 10 0 DCAERN CCn1cc(C(=O)N2CCN(c3cc(OC)ncn3)CC2)cn1 ZINC000183819383 158502383 /nfs/dbraw/zinc/50/23/83/158502383.db2.gz GCMYMQOVCHDCAO-UHFFFAOYSA-N 0 0 316.365 0.664 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184070643 158505507 /nfs/dbraw/zinc/50/55/07/158505507.db2.gz WNLCLUHMELCNAX-NXEZZACHSA-N 0 0 308.359 0.732 10 0 DCAERN COCCCOCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186221074 158528736 /nfs/dbraw/zinc/52/87/36/158528736.db2.gz SDRQFDFQACJAII-UHFFFAOYSA-N 0 0 322.409 0.989 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NC3(CO)CCC3)C2)cn1 ZINC000186298306 158529396 /nfs/dbraw/zinc/52/93/96/158529396.db2.gz IRGSMHHOXIIJFR-GFCCVEGCSA-N 0 0 307.398 0.603 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000188631508 158545768 /nfs/dbraw/zinc/54/57/68/158545768.db2.gz OHZORWGRVAVIQB-DAXOMENPSA-N 0 0 319.405 0.609 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCCNC(=O)[C@H]3C)nc2n1 ZINC000188860190 158547634 /nfs/dbraw/zinc/54/76/34/158547634.db2.gz IRRHZDAZFAYTEH-SNVBAGLBSA-N 0 0 302.338 0.092 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1)C1CCC1 ZINC000188886687 158548427 /nfs/dbraw/zinc/54/84/27/158548427.db2.gz BUUSGENFFBPJPP-NSHDSACASA-N 0 0 320.393 0.060 10 0 DCAERN COC(=O)NCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189012589 158549024 /nfs/dbraw/zinc/54/90/24/158549024.db2.gz HMDPLOGQMGERNI-UHFFFAOYSA-N 0 0 301.306 0.529 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CC[C@H](O)C1)CC2 ZINC000190710112 158562671 /nfs/dbraw/zinc/56/26/71/158562671.db2.gz WCEKVRCTPXNAHT-TUAOUCFPSA-N 0 0 307.398 0.616 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000191344950 158567008 /nfs/dbraw/zinc/56/70/08/158567008.db2.gz LFSDEAXGHXAYIY-LLVKDONJSA-N 0 0 318.377 0.248 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)C(=O)N1CCCC[C@H]1C ZINC000191341350 158567293 /nfs/dbraw/zinc/56/72/93/158567293.db2.gz FBKPKDMLJUNPHX-AGIUHOORSA-N 0 0 324.425 0.696 10 0 DCAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192627188 158576448 /nfs/dbraw/zinc/57/64/48/158576448.db2.gz JLTLJMFFKPBTPJ-JTQLQIEISA-N 0 0 324.402 0.909 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1OC ZINC000193931161 158591282 /nfs/dbraw/zinc/59/12/82/158591282.db2.gz ZCZFIFQUOJIAMC-LLVKDONJSA-N 0 0 312.391 0.903 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000195290496 158608696 /nfs/dbraw/zinc/60/86/96/158608696.db2.gz NEAURIHBOTZMBB-NSHDSACASA-N 0 0 321.425 0.995 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)[C@@H]2COCCN2)ccc1F ZINC000237579957 158639969 /nfs/dbraw/zinc/63/99/69/158639969.db2.gz IREVWOMYHYUGCH-NSHDSACASA-N 0 0 306.301 0.037 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2ccccn2)[C@@H]2CCO[C@H]21 ZINC000247153941 158678901 /nfs/dbraw/zinc/67/89/01/158678901.db2.gz KFVRSRRKCIOAHA-ZLKJLUDKSA-N 0 0 303.362 0.741 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000249956305 158710428 /nfs/dbraw/zinc/71/04/28/158710428.db2.gz BZHFDXCNRIKAPX-STQMWFEESA-N 0 0 312.391 0.872 10 0 DCAERN CN[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1cnn(C)c1 ZINC000262018017 158764601 /nfs/dbraw/zinc/76/46/01/158764601.db2.gz COZXUMUQXMEZGP-DOMZBBRYSA-N 0 0 316.361 0.637 10 0 DCAERN O=C([C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1)N1CCCC1 ZINC000263251074 158866248 /nfs/dbraw/zinc/86/62/48/158866248.db2.gz PXYUHNDSFBMLGP-RYUDHWBXSA-N 0 0 315.364 0.845 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000328665447 159018654 /nfs/dbraw/zinc/01/86/54/159018654.db2.gz CEVCUWQYOXHGLQ-UTUOFQBUSA-N 0 0 301.412 0.459 10 0 DCAERN C[C@@H]1CN(c2nnc(-c3ccccn3)n2C)CCS1(=O)=O ZINC000328698301 159022238 /nfs/dbraw/zinc/02/22/38/159022238.db2.gz HOSICFRKTYDUJY-SNVBAGLBSA-N 0 0 307.379 0.500 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328744392 159025878 /nfs/dbraw/zinc/02/58/78/159025878.db2.gz KMVVRWOZWQMIAI-UONOGXRCSA-N 0 0 311.426 0.303 10 0 DCAERN C[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1=O ZINC000328750157 159026418 /nfs/dbraw/zinc/02/64/18/159026418.db2.gz QKJUKNHGACJOHJ-NEPJUHHUSA-N 0 0 316.423 0.423 10 0 DCAERN CC1(C)SC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000328748986 159026669 /nfs/dbraw/zinc/02/66/69/159026669.db2.gz PWISEXOHOSLRPU-VIFPVBQESA-N 0 0 313.466 0.377 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2c2ccnc3c2cnn3C)n1 ZINC000328810730 159031640 /nfs/dbraw/zinc/03/16/40/159031640.db2.gz MPLGDEWWNHEUCQ-BXKDBHETSA-N 0 0 300.322 0.972 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328826450 159033404 /nfs/dbraw/zinc/03/34/04/159033404.db2.gz JIPMQIQXOAKETG-MXWKQRLJSA-N 0 0 311.407 0.875 10 0 DCAERN CCN1CC[C@H]2OCCN(S(=O)(=O)c3ccccn3)[C@H]2C1 ZINC000328851802 159034735 /nfs/dbraw/zinc/03/47/35/159034735.db2.gz SBXKJGJXLMSTGF-QWHCGFSZSA-N 0 0 311.407 0.565 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000328888404 159037902 /nfs/dbraw/zinc/03/79/02/159037902.db2.gz QBVLQRDTMQWCTN-ILXRZTDVSA-N 0 0 306.410 0.992 10 0 DCAERN COCc1ncsc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328904993 159039728 /nfs/dbraw/zinc/03/97/28/159039728.db2.gz JROZDODYPAEBFB-RYUDHWBXSA-N 0 0 311.407 0.835 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000328919199 159042243 /nfs/dbraw/zinc/04/22/43/159042243.db2.gz AOPQMFDPBYWIKS-XPABHHOTSA-N 0 0 322.405 0.650 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)N1CCSCC1 ZINC000328928975 159043300 /nfs/dbraw/zinc/04/33/00/159043300.db2.gz GXKHNXZYVFCWRU-NEPJUHHUSA-N 0 0 309.439 0.948 10 0 DCAERN Cc1noc([C@H]2CN([C@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961787 159047229 /nfs/dbraw/zinc/04/72/29/159047229.db2.gz QTADBGIKQGRMDZ-QWHCGFSZSA-N 0 0 305.382 0.430 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000328968871 159048413 /nfs/dbraw/zinc/04/84/13/159048413.db2.gz UGLIDMLYHLQHKD-QUBYGPBYSA-N 0 0 309.244 0.545 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCC[C@H]1Cn1ccnn1)CC2 ZINC000328988337 159049582 /nfs/dbraw/zinc/04/95/82/159049582.db2.gz CJIOXVJJVHDDLQ-OCCSQVGLSA-N 0 0 314.393 0.808 10 0 DCAERN Cc1cnc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000329061822 159056925 /nfs/dbraw/zinc/05/69/25/159056925.db2.gz ZKYWHPLDWNITQJ-OCCSQVGLSA-N 0 0 308.357 0.556 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000329157140 159068396 /nfs/dbraw/zinc/06/83/96/159068396.db2.gz CHMPNRGNRNEQPU-AEFFLSMTSA-N 0 0 318.417 0.913 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155061 159068514 /nfs/dbraw/zinc/06/85/14/159068514.db2.gz CHCAUPWAUGIBRR-FRRDWIJNSA-N 0 0 300.424 0.506 10 0 DCAERN CC1(C)C[S@@](=O)CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000329168783 159069380 /nfs/dbraw/zinc/06/93/80/159069380.db2.gz IXBBHXFOAUVLQM-MQJDWESPSA-N 0 0 315.439 0.603 10 0 DCAERN COC[C@H]1CN(C(=O)c2cnn3ccncc23)CC(C)(C)O1 ZINC000329196812 159072347 /nfs/dbraw/zinc/07/23/47/159072347.db2.gz TXVQKXQCMINKQF-LLVKDONJSA-N 0 0 304.350 0.995 10 0 DCAERN COCc1nc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cs1 ZINC000329199880 159072369 /nfs/dbraw/zinc/07/23/69/159072369.db2.gz VZKNIMXEPNVELU-GXSJLCMTSA-N 0 0 302.421 0.908 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(Cc2ccon2)CC1 ZINC000329199983 159072783 /nfs/dbraw/zinc/07/27/83/159072783.db2.gz WBUUXTOIRGLTTK-HNNXBMFYSA-N 0 0 320.393 0.720 10 0 DCAERN O=C([C@@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1)N1CCCC1 ZINC000329255604 159076565 /nfs/dbraw/zinc/07/65/65/159076565.db2.gz DKGWVJZAHGAPLL-CHWSQXEVSA-N 0 0 316.423 0.440 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H](C2CC2)O1 ZINC000329270816 159078203 /nfs/dbraw/zinc/07/82/03/159078203.db2.gz IXDSPVHNEZVOAX-GHYVTOPFSA-N 0 0 310.394 0.648 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@H](COCC2CC2)C1 ZINC000329390797 159088024 /nfs/dbraw/zinc/08/80/24/159088024.db2.gz SKRBHIBHCVMAQF-ZDUSSCGKSA-N 0 0 316.361 0.997 10 0 DCAERN CC(C)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000329394747 159088948 /nfs/dbraw/zinc/08/89/48/159088948.db2.gz VJDMBLJSMBSJCK-LSDHHAIUSA-N 0 0 323.437 0.709 10 0 DCAERN CC(C)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000329394744 159089114 /nfs/dbraw/zinc/08/91/14/159089114.db2.gz VJDMBLJSMBSJCK-CABCVRRESA-N 0 0 323.437 0.709 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CCS1(=O)=O ZINC000329465769 159095831 /nfs/dbraw/zinc/09/58/31/159095831.db2.gz VHQVKRFZPYZRJB-JTQLQIEISA-N 0 0 321.358 0.996 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)[C@@H]2CCSC2)nn1 ZINC000329509644 159098293 /nfs/dbraw/zinc/09/82/93/159098293.db2.gz BFAOTUHVNRMJBJ-YUSALJHKSA-N 0 0 312.395 0.442 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000329592339 159105609 /nfs/dbraw/zinc/10/56/09/159105609.db2.gz UICGEGRNYOLCRN-RBSFLKMASA-N 0 0 324.421 0.776 10 0 DCAERN c1ncn2c1C[C@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329592996 159105801 /nfs/dbraw/zinc/10/58/01/159105801.db2.gz CBCAFPXOLNCRBM-YPMHNXCESA-N 0 0 300.366 0.668 10 0 DCAERN COc1cc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)ncn1 ZINC000329612228 159106274 /nfs/dbraw/zinc/10/62/74/159106274.db2.gz DLPXLQRTPZUNHI-ZDUSSCGKSA-N 0 0 317.393 0.371 10 0 DCAERN Cn1nnc(CSCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000329611846 159106558 /nfs/dbraw/zinc/10/65/58/159106558.db2.gz CIIZYKNYCCGEKZ-WDEREUQCSA-N 0 0 311.411 0.613 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)N1CCn2ccnc2C1 ZINC000329613757 159106726 /nfs/dbraw/zinc/10/67/26/159106726.db2.gz CUPMISTVSMQRAW-UHFFFAOYSA-N 0 0 312.333 0.125 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cc3ccccc3n2)CCS1(=O)=O ZINC000329628899 159108150 /nfs/dbraw/zinc/10/81/50/159108150.db2.gz QBGMGYSFHBNUDH-NSHDSACASA-N 0 0 307.375 0.682 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)N1CCCC1)CC2 ZINC000329676652 159110773 /nfs/dbraw/zinc/11/07/73/159110773.db2.gz PQAUOSZAPXIUFM-LLVKDONJSA-N 0 0 313.427 0.647 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000329699885 159112618 /nfs/dbraw/zinc/11/26/18/159112618.db2.gz GHPZEXSMGXKIPT-IIAWOOMASA-N 0 0 322.409 0.693 10 0 DCAERN Cc1csc(=O)n1CCc1nc([C@H]2CC(=O)N(C)C2)no1 ZINC000329726901 159115414 /nfs/dbraw/zinc/11/54/14/159115414.db2.gz OPJIXYUVLGECOM-VIFPVBQESA-N 0 0 308.363 0.790 10 0 DCAERN Cc1noc([C@H](C)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000329735137 159115775 /nfs/dbraw/zinc/11/57/75/159115775.db2.gz KSLZCIMJXGBJQJ-JTQLQIEISA-N 0 0 304.354 0.355 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000329753678 159117232 /nfs/dbraw/zinc/11/72/32/159117232.db2.gz WWHBCMMPPPVLGO-CJNGLKHVSA-N 0 0 309.410 0.036 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 ZINC000329767930 159118572 /nfs/dbraw/zinc/11/85/72/159118572.db2.gz FZPVDGGUPITPBZ-AWEZNQCLSA-N 0 0 318.381 0.409 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C)C(=O)C1(C)C ZINC000329780743 159119488 /nfs/dbraw/zinc/11/94/88/159119488.db2.gz SCRGSLAOSOFDRR-JTQLQIEISA-N 0 0 313.423 0.377 10 0 DCAERN COCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCO[C@@H]1C ZINC000329814056 159120834 /nfs/dbraw/zinc/12/08/34/159120834.db2.gz NOFZHCMHPXMMIR-CAEXGNQWSA-N 0 0 313.394 0.690 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC(=O)N(C4CC4)C3)nc2n1 ZINC000329861552 159124630 /nfs/dbraw/zinc/12/46/30/159124630.db2.gz QJCPGJNVPHJISX-UHFFFAOYSA-N 0 0 314.349 0.074 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](n3cccn3)C2)N(C(C)=O)C1 ZINC000329890204 159126958 /nfs/dbraw/zinc/12/69/58/159126958.db2.gz FWNDMEZAHZENGS-QLFBSQMISA-N 0 0 320.393 0.682 10 0 DCAERN Cc1cc(CC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)no1 ZINC000329961090 159132120 /nfs/dbraw/zinc/13/21/20/159132120.db2.gz RJMYVUFRKUMXOO-CQSZACIVSA-N 0 0 319.365 0.661 10 0 DCAERN CC[C@@H]1CN(C(=O)C2(O)CCOCC2)C[C@@H]1N1CCOCC1 ZINC000330001148 159134649 /nfs/dbraw/zinc/13/46/49/159134649.db2.gz AANALLFWCOWSAP-KGLIPLIRSA-N 0 0 312.410 0.097 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000330018612 159136347 /nfs/dbraw/zinc/13/63/47/159136347.db2.gz TUUGBLCDVMWQFR-NEPJUHHUSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@@H](c2ncon2)C1)N1CCCCC1=O ZINC000330018828 159136441 /nfs/dbraw/zinc/13/64/41/159136441.db2.gz UDRLLCAHRMPMAE-NWDGAFQWSA-N 0 0 322.365 0.761 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330040416 159137419 /nfs/dbraw/zinc/13/74/19/159137419.db2.gz FSQZAFDZLIXYSE-PWSUYJOCSA-N 0 0 307.354 0.676 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000330101192 159141658 /nfs/dbraw/zinc/14/16/58/159141658.db2.gz FHXTVYBWFQOJSK-LOWVWBTDSA-N 0 0 304.412 0.451 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H](C3CC3)C2)C1=O ZINC000330121941 159143088 /nfs/dbraw/zinc/14/30/88/159143088.db2.gz HDTXFFLOFSAGLX-MLGOLLRUSA-N 0 0 321.377 0.549 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCO[C@H](C3CC3)C2)CCO1 ZINC000330147276 159145976 /nfs/dbraw/zinc/14/59/76/159145976.db2.gz UAOWLPUUCQIPGO-LBPRGKRZSA-N 0 0 304.412 0.453 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H]1OC ZINC000330156274 159146496 /nfs/dbraw/zinc/14/64/96/159146496.db2.gz YSAFXTYZOVKNBN-FMKGYKFTSA-N 0 0 309.366 0.370 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330191870 159148848 /nfs/dbraw/zinc/14/88/48/159148848.db2.gz XKBMHHIQXQSHQF-RYUDHWBXSA-N 0 0 314.411 0.883 10 0 DCAERN O=C(CCNC(=O)c1ccc2c(n1)CCCC2)N1CCOCC1 ZINC000330194718 159149957 /nfs/dbraw/zinc/14/99/57/159149957.db2.gz BFTWJNLHEDZAGJ-UHFFFAOYSA-N 0 0 317.389 0.939 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@@]3(C)CCCNC3=O)CCO2)[nH]1 ZINC000330230277 159152842 /nfs/dbraw/zinc/15/28/42/159152842.db2.gz DJTOAGMQHZMAEB-YGRLFVJLSA-N 0 0 307.354 0.770 10 0 DCAERN O=C1[C@@H](N2CCn3c(nnc3-c3cccnc3)C2)CCN1C1CC1 ZINC000330236762 159153168 /nfs/dbraw/zinc/15/31/68/159153168.db2.gz AJWZPAOGDLBUHC-AWEZNQCLSA-N 0 0 324.388 0.919 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330283332 159156895 /nfs/dbraw/zinc/15/68/95/159156895.db2.gz BGSZYDWANBREGX-PLKZCJTGSA-N 0 0 317.349 0.227 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)N3CC[C@H](CO)C3)CC(=O)N2C)cnn1C ZINC000330292149 159157493 /nfs/dbraw/zinc/15/74/93/159157493.db2.gz GZWNLHZJTKAEPA-HUBLWGQQSA-N 0 0 320.393 0.089 10 0 DCAERN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[C@H](N2CCOCC2)C1 ZINC000330330516 159160895 /nfs/dbraw/zinc/16/08/95/159160895.db2.gz NJYMHVWSLNXKRO-OLZOCXBDSA-N 0 0 320.393 0.460 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)CCC2 ZINC000332679235 159211164 /nfs/dbraw/zinc/21/11/64/159211164.db2.gz GFIRTJPFQOVZBA-VXGBXAGGSA-N 0 0 305.382 0.647 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000332919155 159217171 /nfs/dbraw/zinc/21/71/71/159217171.db2.gz BJBRFONFSQORKP-XUJVJEKNSA-N 0 0 323.437 0.611 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H](CO)C1CCCC1 ZINC000352551699 159247049 /nfs/dbraw/zinc/24/70/49/159247049.db2.gz ORCQBFNOZHPLKN-SNVBAGLBSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CC(=O)N(C)C1 ZINC000360474659 159270176 /nfs/dbraw/zinc/27/01/76/159270176.db2.gz QPTMEGNOGRYHDC-SECBINFHSA-N 0 0 308.313 0.594 10 0 DCAERN Cn1cc(C[C@H]2CCN(c3nc4c(cnn4C)c(N)n3)C2)cn1 ZINC000364972825 159276631 /nfs/dbraw/zinc/27/66/31/159276631.db2.gz OMNURFNYEVKCDU-SNVBAGLBSA-N 0 0 312.381 0.748 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(c2ccnc(C(N)=O)c2)C1 ZINC000366788353 159287697 /nfs/dbraw/zinc/28/76/97/159287697.db2.gz OAOOFCMCKKPYTL-CYBMUJFWSA-N 0 0 312.377 0.681 10 0 DCAERN CC1(C)CN(C(=O)NOC[C@@H]2CCOC2)C[C@@]2(CCOC2)O1 ZINC000366820764 159290726 /nfs/dbraw/zinc/29/07/26/159290726.db2.gz CPNQCKJSQQPTJC-IUODEOHRSA-N 0 0 314.382 0.934 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCN(c2nccnc2C)CC1 ZINC000367023433 159305441 /nfs/dbraw/zinc/30/54/41/159305441.db2.gz LGYIVDZBBACJCF-UHFFFAOYSA-N 0 0 303.366 0.126 10 0 DCAERN CN(CCCO)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000367030752 159306666 /nfs/dbraw/zinc/30/66/66/159306666.db2.gz QQWBGLBEBCGPIY-CQSZACIVSA-N 0 0 305.378 0.775 10 0 DCAERN C[C@@H](COCC(F)(F)F)NC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000367481230 159341179 /nfs/dbraw/zinc/34/11/79/159341179.db2.gz RVRKNYNCCCOPGL-DTWKUNHWSA-N 0 0 311.304 0.861 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)on1 ZINC000367757688 159354086 /nfs/dbraw/zinc/35/40/86/159354086.db2.gz AVEAPVKLCQGZIP-XWIASGKRSA-N 0 0 306.366 0.834 10 0 DCAERN O=C(C=C1CCC1)N[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000367985590 159367850 /nfs/dbraw/zinc/36/78/50/159367850.db2.gz WDBHYWSAZJIIRA-OAHLLOKOSA-N 0 0 321.421 0.536 10 0 DCAERN COc1ccccc1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000368302137 159385897 /nfs/dbraw/zinc/38/58/97/159385897.db2.gz RFTYGXARCKBNEZ-CQSZACIVSA-N 0 0 305.378 0.921 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000368415103 159393257 /nfs/dbraw/zinc/39/32/57/159393257.db2.gz YHVQOXWWEYAKRS-UONOGXRCSA-N 0 0 309.410 0.178 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)Nc1ccc(F)cc1F ZINC000368826911 159420288 /nfs/dbraw/zinc/42/02/88/159420288.db2.gz XOCACQXSMXETEE-LBPRGKRZSA-N 0 0 311.332 0.920 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1ccc(F)cc1F ZINC000368826910 159420406 /nfs/dbraw/zinc/42/04/06/159420406.db2.gz XOCACQXSMXETEE-GFCCVEGCSA-N 0 0 311.332 0.920 10 0 DCAERN CCCCCCOCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000370254584 159507573 /nfs/dbraw/zinc/50/75/73/159507573.db2.gz CDKMXYGXBNFQKV-LBPRGKRZSA-N 0 0 306.428 0.863 10 0 DCAERN O=C(CN(CCCO)CC(F)(F)F)N1CCOC[C@@H]1C1CC1 ZINC000372318517 159616368 /nfs/dbraw/zinc/61/63/68/159616368.db2.gz LIJAKVXLPALBGW-GFCCVEGCSA-N 0 0 324.343 0.871 10 0 DCAERN CC(C)NS(=O)(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375249275 159779540 /nfs/dbraw/zinc/77/95/40/159779540.db2.gz OPOZQLAJIWMRLI-SNVBAGLBSA-N 0 0 300.384 0.979 10 0 DCAERN CO[C@H](C(=O)N1CCn2c(C)c(C)nc2C1)c1cnn(C)c1 ZINC000375619039 159805443 /nfs/dbraw/zinc/80/54/43/159805443.db2.gz CBQCODKKDPAWGD-AWEZNQCLSA-N 0 0 303.366 0.963 10 0 DCAERN C[C@H](OCC(=O)N1CCOC2(CCOCC2)C1)c1nccn1C ZINC000376942708 159885285 /nfs/dbraw/zinc/88/52/85/159885285.db2.gz DFBIHTHURLHGLD-ZDUSSCGKSA-N 0 0 323.393 0.906 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000407952167 159995417 /nfs/dbraw/zinc/99/54/17/159995417.db2.gz FRLKWPSYOBCUKY-AXFHLTTASA-N 0 0 318.395 0.157 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(CC(F)(F)F)C2=O)C[C@H](CO)O1 ZINC000407951169 159995574 /nfs/dbraw/zinc/99/55/74/159995574.db2.gz OQXJVOXTVZTAOO-MXWKQRLJSA-N 0 0 310.316 0.621 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1=O ZINC000407961554 159997775 /nfs/dbraw/zinc/99/77/75/159997775.db2.gz HYFKERMZZCFYHI-YUTCNCBUSA-N 0 0 305.378 0.936 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000407971862 160000043 /nfs/dbraw/zinc/00/00/43/160000043.db2.gz JXBFZQLMTQFEFU-RYUDHWBXSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)CC(=O)N1C ZINC000407973576 160000140 /nfs/dbraw/zinc/00/01/40/160000140.db2.gz YOKPSNUFOICMRO-SNVBAGLBSA-N 0 0 302.334 0.983 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000407977098 160000594 /nfs/dbraw/zinc/00/05/94/160000594.db2.gz PNNSYMPOEAXBBV-SDDRHHMPSA-N 0 0 319.427 0.229 10 0 DCAERN CN1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1=O ZINC000407976461 160000822 /nfs/dbraw/zinc/00/08/22/160000822.db2.gz UCQNGIMFUORPQY-UHFFFAOYSA-N 0 0 312.244 0.663 10 0 DCAERN CCS(=O)(=O)N1CCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000407977878 160000992 /nfs/dbraw/zinc/00/09/92/160000992.db2.gz VHDFLDYLJYPENP-VIFPVBQESA-N 0 0 320.440 0.717 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000407979234 160001253 /nfs/dbraw/zinc/00/12/53/160001253.db2.gz SXPHZTBMZYXUTO-ZIAGYGMSSA-N 0 0 310.442 0.140 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000407979425 160001518 /nfs/dbraw/zinc/00/15/18/160001518.db2.gz ZPGSGAIWOWWYIZ-OCCSQVGLSA-N 0 0 323.437 0.864 10 0 DCAERN O=C(NC1CCN(CC(F)(F)F)CC1)N[C@H]1CCCNC1=O ZINC000407983766 160002331 /nfs/dbraw/zinc/00/23/31/160002331.db2.gz FLAATYRORZUQIU-JTQLQIEISA-N 0 0 322.331 0.591 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000407982995 160002636 /nfs/dbraw/zinc/00/26/36/160002636.db2.gz ARVXEGYRYAGHJB-QWRGUYRKSA-N 0 0 310.398 0.354 10 0 DCAERN CC1(C)C[C@@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000407983796 160002786 /nfs/dbraw/zinc/00/27/86/160002786.db2.gz SPYDSYMFSAHEQS-QWRGUYRKSA-N 0 0 319.427 0.277 10 0 DCAERN CC1(O)CN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1 ZINC000407987472 160003669 /nfs/dbraw/zinc/00/36/69/160003669.db2.gz YFMSVZBGLGEJSL-JTQLQIEISA-N 0 0 310.300 0.911 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)C1 ZINC000407987420 160003691 /nfs/dbraw/zinc/00/36/91/160003691.db2.gz PTGPXKZTEJODAR-WCQYABFASA-N 0 0 312.414 0.903 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000407991164 160005140 /nfs/dbraw/zinc/00/51/40/160005140.db2.gz OEOQDRAEGUQPFX-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000407999953 160006718 /nfs/dbraw/zinc/00/67/18/160006718.db2.gz YFPZZBCJDCZVJV-CMPLNLGQSA-N 0 0 304.412 0.199 10 0 DCAERN Cc1c(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cnn1C ZINC000408009886 160009460 /nfs/dbraw/zinc/00/94/60/160009460.db2.gz WXOLCGWPDZTUAM-HNNXBMFYSA-N 0 0 305.382 0.540 10 0 DCAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@@H](CCO)C1 ZINC000408012103 160010467 /nfs/dbraw/zinc/01/04/67/160010467.db2.gz ZVQHNUJOAPUZLV-LBPRGKRZSA-N 0 0 323.393 0.472 10 0 DCAERN C[C@@H](C(=O)N1CC[C@@H](CCO)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408011543 160010517 /nfs/dbraw/zinc/01/05/17/160010517.db2.gz SLJHRWVBJIJVEB-RYUDHWBXSA-N 0 0 323.393 0.470 10 0 DCAERN CN(C(=O)NC[C@@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000408015432 160011311 /nfs/dbraw/zinc/01/13/11/160011311.db2.gz BSGVCTWMUIORBF-QWHCGFSZSA-N 0 0 318.439 0.756 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000408014726 160011500 /nfs/dbraw/zinc/01/15/00/160011500.db2.gz RKKOPTPPDCRRMQ-SDDRHHMPSA-N 0 0 305.444 0.413 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CCOC[C@H]2c2ncnn2C)CCO1 ZINC000408021476 160013493 /nfs/dbraw/zinc/01/34/93/160013493.db2.gz IGRPYUZKSOGOSZ-AGIUHOORSA-N 0 0 323.397 0.713 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000408021421 160014177 /nfs/dbraw/zinc/01/41/77/160014177.db2.gz MSYYSILIKHKVNN-QWRGUYRKSA-N 0 0 313.423 0.377 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3COCCN3C)CCO2)cn1 ZINC000408029615 160015501 /nfs/dbraw/zinc/01/55/01/160015501.db2.gz IDEFUSUZSNUQKV-KGLIPLIRSA-N 0 0 308.382 0.134 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000408029312 160015577 /nfs/dbraw/zinc/01/55/77/160015577.db2.gz HTSLTBOIQWUVHH-AWEZNQCLSA-N 0 0 305.378 0.371 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CC(C)(C)O1 ZINC000408027572 160015582 /nfs/dbraw/zinc/01/55/82/160015582.db2.gz OHGUNKKBQHCVPW-NEPJUHHUSA-N 0 0 307.412 0.621 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2C[C@H](OC)CN2C)CC(C)(C)O1 ZINC000408031968 160016733 /nfs/dbraw/zinc/01/67/33/160016733.db2.gz QXBXASTYILSSFJ-XQQFMLRXSA-N 0 0 300.399 0.358 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N2CCC(C)CC2)C1 ZINC000408036414 160018297 /nfs/dbraw/zinc/01/82/97/160018297.db2.gz SXKXKOYHOPLYOT-OLZOCXBDSA-N 0 0 307.398 0.825 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000408036420 160018347 /nfs/dbraw/zinc/01/83/47/160018347.db2.gz SYXAALYABRPALR-XQQFMLRXSA-N 0 0 307.398 0.825 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000408036500 160018451 /nfs/dbraw/zinc/01/84/51/160018451.db2.gz SXSRGZLKCIBVAW-QWRGUYRKSA-N 0 0 321.343 0.985 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)c2cn(C(C)(C)C)nn2)n1 ZINC000408042539 160020501 /nfs/dbraw/zinc/02/05/01/160020501.db2.gz SFLIYFPWAADENY-LLVKDONJSA-N 0 0 320.353 0.938 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCCO2)C[C@@H](C)O1 ZINC000408040880 160020759 /nfs/dbraw/zinc/02/07/59/160020759.db2.gz KCCCHXIKFOLSML-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1Cc1nnnn1C1CC1 ZINC000408045207 160021585 /nfs/dbraw/zinc/02/15/85/160021585.db2.gz QIEWTQYYLDSXNC-HZSPNIEDSA-N 0 0 307.398 0.760 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000408048689 160022614 /nfs/dbraw/zinc/02/26/14/160022614.db2.gz ZUZKUFUSGIVJAX-KBUPBQIOSA-N 0 0 319.405 0.762 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408047204 160023192 /nfs/dbraw/zinc/02/31/92/160023192.db2.gz FRXZXTBPHONDPM-RYUDHWBXSA-N 0 0 313.423 0.235 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408051665 160023598 /nfs/dbraw/zinc/02/35/98/160023598.db2.gz LHFZNOHQGFZDQS-ZIAGYGMSSA-N 0 0 309.410 0.762 10 0 DCAERN CCC1(CO)CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408052568 160024298 /nfs/dbraw/zinc/02/42/98/160024298.db2.gz BMECBSUBYBEROZ-INIZCTEOSA-N 0 0 312.410 0.371 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCCSCC1)c2=O ZINC000408056858 160025160 /nfs/dbraw/zinc/02/51/60/160025160.db2.gz MJHGQJXAXDVJOF-UHFFFAOYSA-N 0 0 307.379 0.096 10 0 DCAERN COCCC(=O)N1CCN(C(=O)N2CCSCC2)CC1 ZINC000408074722 160030018 /nfs/dbraw/zinc/03/00/18/160030018.db2.gz XLKUBSXNTPMTGK-UHFFFAOYSA-N 0 0 301.412 0.336 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1 ZINC000408074202 160030449 /nfs/dbraw/zinc/03/04/49/160030449.db2.gz OWOFXMBYWISSBX-CYBMUJFWSA-N 0 0 324.425 0.507 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000408078029 160030807 /nfs/dbraw/zinc/03/08/07/160030807.db2.gz GAUPLTWVKQRAOU-RWMBFGLXSA-N 0 0 318.439 0.874 10 0 DCAERN CC(C)(C)NC(=O)N1CCC(NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000408082688 160031833 /nfs/dbraw/zinc/03/18/33/160031833.db2.gz YDKYHOIJCRWQBS-JTQLQIEISA-N 0 0 310.398 0.211 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000408082460 160032054 /nfs/dbraw/zinc/03/20/54/160032054.db2.gz GTOODGLYBAPMJS-WDEREUQCSA-N 0 0 311.407 0.499 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000408085513 160032293 /nfs/dbraw/zinc/03/22/93/160032293.db2.gz AJDSTISAICZCAE-QWHCGFSZSA-N 0 0 314.389 0.948 10 0 DCAERN CN1C(=O)c2ccc(C(=O)NC3CCS(=O)CC3)cc2C1=O ZINC000408090067 160033263 /nfs/dbraw/zinc/03/32/63/160033263.db2.gz PYLIHLGUJXVQMI-UHFFFAOYSA-N 0 0 320.370 0.553 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408090572 160033404 /nfs/dbraw/zinc/03/34/04/160033404.db2.gz DFCAYTAXOXLQFT-WOPDTQHZSA-N 0 0 323.397 0.672 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408094736 160034934 /nfs/dbraw/zinc/03/49/34/160034934.db2.gz IRAQVBMGXDXORT-IJLUTSLNSA-N 0 0 323.393 0.469 10 0 DCAERN Cc1cnc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)s1 ZINC000408102497 160035878 /nfs/dbraw/zinc/03/58/78/160035878.db2.gz BCORXVBLNGFFSZ-QMMMGPOBSA-N 0 0 304.397 0.736 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000408103465 160036446 /nfs/dbraw/zinc/03/64/46/160036446.db2.gz AXMJFBFIQXYPMZ-WDEREUQCSA-N 0 0 318.464 0.525 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)no1 ZINC000408104988 160036675 /nfs/dbraw/zinc/03/66/75/160036675.db2.gz GDEXHLFKDDFSKU-PSASIEDQSA-N 0 0 301.368 0.399 10 0 DCAERN CC(C)c1nnc(CN2CC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000408109147 160038137 /nfs/dbraw/zinc/03/81/37/160038137.db2.gz DMVUYVWDVCEQQQ-SNVBAGLBSA-N 0 0 301.416 0.062 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C)C[C@H]1C ZINC000408113348 160038837 /nfs/dbraw/zinc/03/88/37/160038837.db2.gz RPNJUFJAPVJXGD-OLZOCXBDSA-N 0 0 317.455 0.353 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCN(C)C[C@H]3C)nc2n1 ZINC000408113778 160039017 /nfs/dbraw/zinc/03/90/17/160039017.db2.gz UQGXIDUHNFWOMT-GFCCVEGCSA-N 0 0 302.382 0.446 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@H]1C ZINC000408113712 160039079 /nfs/dbraw/zinc/03/90/79/160039079.db2.gz UOCYIOMXLNKVSE-ZJUUUORDSA-N 0 0 310.427 0.651 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408115944 160039647 /nfs/dbraw/zinc/03/96/47/160039647.db2.gz NCYOJRFPMULDDV-FBIMIBRVSA-N 0 0 314.363 0.533 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)[C@@H]1CNC(=O)C1 ZINC000408114566 160039784 /nfs/dbraw/zinc/03/97/84/160039784.db2.gz DZGGDTWLHGPUCA-UTUOFQBUSA-N 0 0 309.410 0.616 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408120057 160040048 /nfs/dbraw/zinc/04/00/48/160040048.db2.gz CBNHNAPPLNLZJG-UNXYVOJBSA-N 0 0 303.428 0.739 10 0 DCAERN C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121254 160040926 /nfs/dbraw/zinc/04/09/26/160040926.db2.gz CNFFQWBULRCMPD-YPMHNXCESA-N 0 0 306.428 0.483 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408122514 160041809 /nfs/dbraw/zinc/04/18/09/160041809.db2.gz XYCXMYWMUMQSFT-ZSVAQUKISA-N 0 0 317.455 0.843 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)CC1=O ZINC000408129597 160043637 /nfs/dbraw/zinc/04/36/37/160043637.db2.gz AVCBPQNWFCDGRY-DDHJBXDOSA-N 0 0 301.412 0.172 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408131653 160044225 /nfs/dbraw/zinc/04/42/25/160044225.db2.gz ZVBGAAIQMWWJQB-VXGBXAGGSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)S(C)(=O)=O ZINC000408131652 160044245 /nfs/dbraw/zinc/04/42/45/160044245.db2.gz ZVBGAAIQMWWJQB-RYUDHWBXSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)[C@H]1CO ZINC000408136570 160044874 /nfs/dbraw/zinc/04/48/74/160044874.db2.gz FVIULWXFXSPTBR-YPMHNXCESA-N 0 0 301.346 0.928 10 0 DCAERN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC000408143747 160047147 /nfs/dbraw/zinc/04/71/47/160047147.db2.gz BWAZBCSSXSXZOO-GHMZBOCLSA-N 0 0 312.391 0.849 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408153085 160048977 /nfs/dbraw/zinc/04/89/77/160048977.db2.gz IEUIUEBPJLJTHF-NNYUYHANSA-N 0 0 319.427 0.323 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000408169103 160052017 /nfs/dbraw/zinc/05/20/17/160052017.db2.gz LFULFVCGFBKYON-QWHCGFSZSA-N 0 0 309.410 0.759 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000408174568 160052776 /nfs/dbraw/zinc/05/27/76/160052776.db2.gz SBEJPEKWXRIUOZ-NXEZZACHSA-N 0 0 311.382 0.515 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408172246 160052840 /nfs/dbraw/zinc/05/28/40/160052840.db2.gz UJPAIJGHFODVTB-LLVKDONJSA-N 0 0 321.443 0.117 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408172247 160052885 /nfs/dbraw/zinc/05/28/85/160052885.db2.gz UJPAIJGHFODVTB-NSHDSACASA-N 0 0 321.443 0.117 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183296 160054718 /nfs/dbraw/zinc/05/47/18/160054718.db2.gz PXJIXOCSJNZGMW-UTUOFQBUSA-N 0 0 319.427 0.277 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)C1=O ZINC000408186638 160055450 /nfs/dbraw/zinc/05/54/50/160055450.db2.gz IVHAEXHNCPJDEL-QJPTWQEYSA-N 0 0 323.393 0.326 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000408187999 160056298 /nfs/dbraw/zinc/05/62/98/160056298.db2.gz BQTKPQONKYXEST-WDEREUQCSA-N 0 0 302.396 0.856 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000408188279 160056342 /nfs/dbraw/zinc/05/63/42/160056342.db2.gz SCDBZVCQSICAKQ-PWSUYJOCSA-N 0 0 322.452 0.049 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408201260 160058482 /nfs/dbraw/zinc/05/84/82/160058482.db2.gz DVLAICRFHRPSHN-QWHCGFSZSA-N 0 0 317.393 0.430 10 0 DCAERN CN1C[C@H](NS(=O)(=O)N2CCc3ccccc3C2)CCC1=O ZINC000408202423 160059240 /nfs/dbraw/zinc/05/92/40/160059240.db2.gz MNUCEXLHHIWWIR-CQSZACIVSA-N 0 0 323.418 0.500 10 0 DCAERN O=C(c1cnc2n[nH]nc2c1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408206192 160059905 /nfs/dbraw/zinc/05/99/05/160059905.db2.gz SQSVBPMEQXDHSI-LLVKDONJSA-N 0 0 315.255 0.882 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000408205457 160060211 /nfs/dbraw/zinc/06/02/11/160060211.db2.gz YHKYBGGNTYIVMQ-CYBMUJFWSA-N 0 0 317.455 0.810 10 0 DCAERN Cc1noc(CN2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000408209403 160060650 /nfs/dbraw/zinc/06/06/50/160060650.db2.gz SBMCYAZNLXDFLM-UHFFFAOYSA-N 0 0 300.384 0.424 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CC[S@@](=O)[C@H](C)C3)nc12 ZINC000408211647 160060670 /nfs/dbraw/zinc/06/06/70/160060670.db2.gz QGPOBYIEFQJTFB-XUSGNXJCSA-N 0 0 305.403 0.956 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000408209191 160060814 /nfs/dbraw/zinc/06/08/14/160060814.db2.gz ZBKXGGOZCVDJTO-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000408218070 160062198 /nfs/dbraw/zinc/06/21/98/160062198.db2.gz GXJACNIAFSDPPI-IUCAKERBSA-N 0 0 318.420 0.953 10 0 DCAERN CC(C)(CNC(=O)C1(O)CCCC1)N1CCS(=O)CC1 ZINC000408218930 160062465 /nfs/dbraw/zinc/06/24/65/160062465.db2.gz KRBPHYNZOMJKBR-UHFFFAOYSA-N 0 0 302.440 0.251 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224908 160063983 /nfs/dbraw/zinc/06/39/83/160063983.db2.gz XXFSDOGQPDNWQR-CHWSQXEVSA-N 0 0 302.440 0.754 10 0 DCAERN C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)NS(C)(=O)=O)CC[N@@H+]1C ZINC000408230972 160064913 /nfs/dbraw/zinc/06/49/13/160064913.db2.gz JUDLSHBJDOPNSX-GHMZBOCLSA-N 0 0 305.444 0.255 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)s1 ZINC000408230845 160064994 /nfs/dbraw/zinc/06/49/94/160064994.db2.gz DIEKXJPUCFHNDG-LLVKDONJSA-N 0 0 322.434 0.832 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000408237386 160066345 /nfs/dbraw/zinc/06/63/45/160066345.db2.gz QHCJMLOLHMZEOR-UHFFFAOYSA-N 0 0 318.439 0.543 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C1CCOCC1 ZINC000408242881 160067723 /nfs/dbraw/zinc/06/77/23/160067723.db2.gz ZHIGMAQXMAJUHG-NWDGAFQWSA-N 0 0 304.412 0.390 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000408244302 160068211 /nfs/dbraw/zinc/06/82/11/160068211.db2.gz OPBVMFIOGGJUCG-CYBMUJFWSA-N 0 0 309.410 0.855 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000408258919 160071257 /nfs/dbraw/zinc/07/12/57/160071257.db2.gz DDVZERSQOXASBB-OLZOCXBDSA-N 0 0 324.425 0.600 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000408281057 160075735 /nfs/dbraw/zinc/07/57/35/160075735.db2.gz MIHUJEMADLXVRB-UHFFFAOYSA-N 0 0 316.423 0.281 10 0 DCAERN Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc(N(C)C)c1)C2 ZINC000408282839 160075789 /nfs/dbraw/zinc/07/57/89/160075789.db2.gz BNRFJOPFJFVSMT-UHFFFAOYSA-N 0 0 321.406 0.857 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N2CCCCCO2)CC1 ZINC000408288310 160076964 /nfs/dbraw/zinc/07/69/64/160076964.db2.gz WUULEWOGIBARMM-UHFFFAOYSA-N 0 0 320.411 0.924 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000408291427 160077311 /nfs/dbraw/zinc/07/73/11/160077311.db2.gz YNNFTZNUKSPMKM-NWDGAFQWSA-N 0 0 303.428 0.706 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)C2CCC(O)CC2)CCN1C ZINC000408291170 160077382 /nfs/dbraw/zinc/07/73/82/160077382.db2.gz VOTUHTXGUJRLDZ-JXQTWKCFSA-N 0 0 306.410 0.786 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCOC[C@@H]1C ZINC000408291619 160077621 /nfs/dbraw/zinc/07/76/21/160077621.db2.gz ZTDUVFFVDHLFLG-WDEREUQCSA-N 0 0 309.370 0.690 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@@H]2C)c1 ZINC000408293500 160078294 /nfs/dbraw/zinc/07/82/94/160078294.db2.gz YOSSNSSHEFKQAY-GXSJLCMTSA-N 0 0 313.379 0.582 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CCN1C ZINC000408302816 160079969 /nfs/dbraw/zinc/07/99/69/160079969.db2.gz JHIZONUTQDHIRL-CZUORRHYSA-N 0 0 321.425 0.845 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000408304142 160081037 /nfs/dbraw/zinc/08/10/37/160081037.db2.gz WSLDYCAPGNZNDE-HZSPNIEDSA-N 0 0 324.425 0.588 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000408317685 160083839 /nfs/dbraw/zinc/08/38/39/160083839.db2.gz HNJVDRSGPDAJTP-GXSJLCMTSA-N 0 0 311.363 0.193 10 0 DCAERN CC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000408326220 160085243 /nfs/dbraw/zinc/08/52/43/160085243.db2.gz KHPHGWLZCUZMBJ-FZMZJTMJSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1nnc2n1CCCC2 ZINC000408328556 160086239 /nfs/dbraw/zinc/08/62/39/160086239.db2.gz JOSPZFWJYQQTPJ-WOPDTQHZSA-N 0 0 307.398 0.945 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000408334521 160087100 /nfs/dbraw/zinc/08/71/00/160087100.db2.gz BFSBEZSMBCDYNX-NEPJUHHUSA-N 0 0 317.407 0.505 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@@H]2C)c(F)c1 ZINC000408337608 160087315 /nfs/dbraw/zinc/08/73/15/160087315.db2.gz VDIKRRCAOXXQHO-VIFPVBQESA-N 0 0 316.354 0.733 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC12CCC2 ZINC000408339650 160088173 /nfs/dbraw/zinc/08/81/73/160088173.db2.gz QSAGTQNPPQSXRD-NSHDSACASA-N 0 0 302.396 0.887 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000408358174 160091422 /nfs/dbraw/zinc/09/14/22/160091422.db2.gz ZXMPKQYFAODHOZ-QMTHXVAHSA-N 0 0 311.407 0.035 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357422 160091561 /nfs/dbraw/zinc/09/15/61/160091561.db2.gz WOOJZEYDYHAYMS-AOOOYVTPSA-N 0 0 312.395 0.045 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408357349 160091582 /nfs/dbraw/zinc/09/15/82/160091582.db2.gz AJNIRKPBUUKPSL-ZYHUDNBSSA-N 0 0 308.300 0.771 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000408362096 160092273 /nfs/dbraw/zinc/09/22/73/160092273.db2.gz LONGOBGJVUIONG-YNEHKIRRSA-N 0 0 306.428 0.747 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2ncc(C)cc2O)CC1 ZINC000408367860 160092918 /nfs/dbraw/zinc/09/29/18/160092918.db2.gz ZEQAQAXXYSMHLC-UHFFFAOYSA-N 0 0 313.379 0.203 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000408367813 160093149 /nfs/dbraw/zinc/09/31/49/160093149.db2.gz YIIQOFZNBSDEIB-MGPQQGTHSA-N 0 0 319.471 0.208 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408368044 160093754 /nfs/dbraw/zinc/09/37/54/160093754.db2.gz AYGOGPCTGUTPLG-XHDPSFHLSA-N 0 0 323.393 0.518 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408373811 160094539 /nfs/dbraw/zinc/09/45/39/160094539.db2.gz MUYVNRYDDQYXDS-SSDOTTSWSA-N 0 0 318.424 0.339 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](O)C2(C)C)c1 ZINC000408376341 160095104 /nfs/dbraw/zinc/09/51/04/160095104.db2.gz MZUVCLGNVAOGLO-LBPRGKRZSA-N 0 0 312.391 0.628 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000408382979 160096745 /nfs/dbraw/zinc/09/67/45/160096745.db2.gz GDICJCBRWXNKCC-QMMMGPOBSA-N 0 0 316.774 0.478 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000408385055 160097039 /nfs/dbraw/zinc/09/70/39/160097039.db2.gz IFMLWMVROPPQOH-LBPRGKRZSA-N 0 0 315.443 0.295 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C[C@H]2C)cnn1C ZINC000408387926 160097629 /nfs/dbraw/zinc/09/76/29/160097629.db2.gz ZRVIFQRKWVEICW-ZLDLUXBVSA-N 0 0 306.410 0.969 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)CN2CCC(C)CC2)n1 ZINC000408386652 160097721 /nfs/dbraw/zinc/09/77/21/160097721.db2.gz QQJUIYZKCAGIJI-QWHCGFSZSA-N 0 0 308.382 0.744 10 0 DCAERN O=C(NC[C@H](O)C1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000408393795 160099031 /nfs/dbraw/zinc/09/90/31/160099031.db2.gz GYUURMMRVUGDBE-LBPRGKRZSA-N 0 0 304.412 0.368 10 0 DCAERN CC1(C)CN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408394331 160099927 /nfs/dbraw/zinc/09/99/27/160099927.db2.gz PILACPCFIHTPPL-UHFFFAOYSA-N 0 0 315.482 0.578 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000408398789 160100349 /nfs/dbraw/zinc/10/03/49/160100349.db2.gz XVCQWTVOJJJTEB-SNVBAGLBSA-N 0 0 313.379 0.249 10 0 DCAERN Cc1ocnc1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000408400852 160101255 /nfs/dbraw/zinc/10/12/55/160101255.db2.gz XYSDGVGRISEOIK-SNVBAGLBSA-N 0 0 301.368 0.525 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000408411198 160102875 /nfs/dbraw/zinc/10/28/75/160102875.db2.gz DWGIGRIMJGJSQQ-KXNHARMFSA-N 0 0 304.412 0.628 10 0 DCAERN CC1(C)CCC[C@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408417112 160103464 /nfs/dbraw/zinc/10/34/64/160103464.db2.gz PRTGTEVOWIGCMO-SMDDNHRTSA-N 0 0 303.424 0.869 10 0 DCAERN C[C@H]1CCN(c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccn2)C1 ZINC000408417100 160103683 /nfs/dbraw/zinc/10/36/83/160103683.db2.gz XODRDVWYKGXEFU-AAEUAGOBSA-N 0 0 323.418 0.845 10 0 DCAERN CC[C@@H](NC(=O)N1CCCSCC1)C(=O)N1CCOCC1 ZINC000408420043 160104276 /nfs/dbraw/zinc/10/42/76/160104276.db2.gz RANABHJXWQJKLT-GFCCVEGCSA-N 0 0 315.439 0.772 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000408425184 160105089 /nfs/dbraw/zinc/10/50/89/160105089.db2.gz FFPYKBQTLNVCLK-SRVKXCTJSA-N 0 0 304.412 0.820 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408425532 160105318 /nfs/dbraw/zinc/10/53/18/160105318.db2.gz GMMNMJBJQIIZLM-RYUDHWBXSA-N 0 0 324.425 0.553 10 0 DCAERN CC(C)c1nnc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000408426287 160105977 /nfs/dbraw/zinc/10/59/77/160105977.db2.gz JKXGONPKRBJKDS-MRVPVSSYSA-N 0 0 303.409 0.969 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408435510 160107379 /nfs/dbraw/zinc/10/73/79/160107379.db2.gz XXWZIRLTKJWRBS-DCAQKATOSA-N 0 0 312.457 0.044 10 0 DCAERN O=c1nc(CN2C[C@H](O)[C@@H](O)C2)[nH]c2sc3c(c21)CCC3 ZINC000408441108 160108288 /nfs/dbraw/zinc/10/82/88/160108288.db2.gz GWNHLCZCVMTCIC-IUCAKERBSA-N 0 0 307.375 0.423 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN1C(C)=O ZINC000408446913 160109826 /nfs/dbraw/zinc/10/98/26/160109826.db2.gz SIQSYBFMSUJIJS-VXGBXAGGSA-N 0 0 305.382 0.803 10 0 DCAERN CCc1nsc(N2CCN(C(=O)C3CC(C)(O)C3)CC2)n1 ZINC000408453240 160111643 /nfs/dbraw/zinc/11/16/43/160111643.db2.gz PWSDZRPDCLOAKU-UHFFFAOYSA-N 0 0 310.423 0.910 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1c1ccc(I)cn1 ZINC000408459668 160113033 /nfs/dbraw/zinc/11/30/33/160113033.db2.gz YOBFPFPVSPQSBK-RKDXNWHRSA-N 0 0 320.130 0.618 10 0 DCAERN CNS(=O)(=O)N1CCN(Cc2csc(C(C)C)n2)CC1 ZINC000408458595 160113094 /nfs/dbraw/zinc/11/30/94/160113094.db2.gz UNLZAPBJCKOVHW-UHFFFAOYSA-N 0 0 318.468 0.848 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2cncc(Br)c2)C1 ZINC000408463609 160113705 /nfs/dbraw/zinc/11/37/05/160113705.db2.gz CHCZELDWMUYTCG-SECBINFHSA-N 0 0 320.212 0.972 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC(=O)N1 ZINC000408465246 160114167 /nfs/dbraw/zinc/11/41/67/160114167.db2.gz JVQJAQXMHZHNFK-BXKDBHETSA-N 0 0 319.386 0.836 10 0 DCAERN CC1(C2(NC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)CC1 ZINC000408467967 160114638 /nfs/dbraw/zinc/11/46/38/160114638.db2.gz PSCLXRBLMPVWMI-QWHCGFSZSA-N 0 0 322.405 0.842 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000408472761 160115206 /nfs/dbraw/zinc/11/52/06/160115206.db2.gz WVPXPXRFABEGHN-MGPQQGTHSA-N 0 0 312.410 0.776 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CCO1 ZINC000408472757 160115673 /nfs/dbraw/zinc/11/56/73/160115673.db2.gz WUOKFINSXCRJHK-JLUCKKNBSA-N 0 0 307.346 0.823 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000408471477 160115807 /nfs/dbraw/zinc/11/58/07/160115807.db2.gz SMHPFJRSDXRLNK-SGMGOOAPSA-N 0 0 310.394 0.386 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc3ncccc32)C[C@H]1C(N)=O ZINC000408473516 160116060 /nfs/dbraw/zinc/11/60/60/160116060.db2.gz PREPCQVJIXRFRX-ZYHUDNBSSA-N 0 0 319.386 0.977 10 0 DCAERN c1ccc(-n2c(Cc3nn[nH]n3)nnc2N2CCOCC2)cc1 ZINC000408496969 160119763 /nfs/dbraw/zinc/11/97/63/160119763.db2.gz HZXVBVLOLZLYFN-UHFFFAOYSA-N 0 0 312.337 0.208 10 0 DCAERN CC(C)COC1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000067844587 286907403 /nfs/dbraw/zinc/90/74/03/286907403.db2.gz YGNVHFNHDSHTIU-LLVKDONJSA-N 0 0 306.428 0.588 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000375357841 297170376 /nfs/dbraw/zinc/17/03/76/297170376.db2.gz WFVZTUOOFYEMNI-KXNHARMFSA-N 0 0 302.396 0.382 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000122086089 286957250 /nfs/dbraw/zinc/95/72/50/286957250.db2.gz IIVRVNVILSDHHN-UHFFFAOYSA-N 0 0 313.361 0.540 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](COC)C1CC1 ZINC000122749208 286958846 /nfs/dbraw/zinc/95/88/46/286958846.db2.gz CZWSZOZMTFOHHB-NEPJUHHUSA-N 0 0 323.397 0.984 10 0 DCAERN COC[C@@H](O)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000130473038 286994158 /nfs/dbraw/zinc/99/41/58/286994158.db2.gz NQANGYJONHEYIB-NSHDSACASA-N 0 0 310.375 0.911 10 0 DCAERN CCCn1nccc1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000130756952 286996264 /nfs/dbraw/zinc/99/62/64/286996264.db2.gz CLIGGCSEEFJJPF-LLVKDONJSA-N 0 0 309.370 0.398 10 0 DCAERN O=C(NCCNc1cncc(OCCO)n1)c1cccs1 ZINC000131591528 287001039 /nfs/dbraw/zinc/00/10/39/287001039.db2.gz KJIJJSVMGQDMKL-UHFFFAOYSA-N 0 0 308.363 0.751 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCC1=O ZINC000133927448 287014217 /nfs/dbraw/zinc/01/42/17/287014217.db2.gz WTGRLWHULSEQKO-STQMWFEESA-N 0 0 307.394 0.372 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)NC1CCCCC1 ZINC000135535623 287022941 /nfs/dbraw/zinc/02/29/41/287022941.db2.gz PILTVJSDUSTCRI-DGCLKSJQSA-N 0 0 318.439 0.922 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000152936039 287045059 /nfs/dbraw/zinc/04/50/59/287045059.db2.gz UERPKSOMGPIJIN-LLVKDONJSA-N 0 0 324.468 0.472 10 0 DCAERN Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000153461356 287050136 /nfs/dbraw/zinc/05/01/36/287050136.db2.gz WBLHZPKUSVKMAS-ZDUSSCGKSA-N 0 0 324.340 0.987 10 0 DCAERN CC[C@@H]1CN([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469238 287050191 /nfs/dbraw/zinc/05/01/91/287050191.db2.gz KPLSNVBTRJNPHM-WDEREUQCSA-N 0 0 321.368 0.325 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186830693 287057795 /nfs/dbraw/zinc/05/77/95/287057795.db2.gz NBRJAXRNDNRRRM-LBPRGKRZSA-N 0 0 307.398 0.911 10 0 DCAERN C[C@H](CNC(=O)NCCCC(=O)NC1CC1)N1CCOCC1 ZINC000192784806 287059956 /nfs/dbraw/zinc/05/99/56/287059956.db2.gz RMGCRNOCFZSWGY-GFCCVEGCSA-N 0 0 312.414 0.065 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246047202 287075749 /nfs/dbraw/zinc/07/57/49/287075749.db2.gz BXCYLWYYWZITDF-FOGDFJRCSA-N 0 0 316.427 0.733 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000246075807 287076360 /nfs/dbraw/zinc/07/63/60/287076360.db2.gz SOMQKRQOBITENY-DGCLKSJQSA-N 0 0 318.439 0.826 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)[C@@H](C)CO1 ZINC000246126167 287077319 /nfs/dbraw/zinc/07/73/19/287077319.db2.gz LUPMBCKOZCJMDT-AXFHLTTASA-N 0 0 315.399 0.057 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1C ZINC000246125251 287077334 /nfs/dbraw/zinc/07/73/34/287077334.db2.gz TUZXKPQRBSCPRV-WDEREUQCSA-N 0 0 312.395 0.160 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC000246763309 287087923 /nfs/dbraw/zinc/08/79/23/287087923.db2.gz OWKUTEMUOMPOBV-FVCCEPFGSA-N 0 0 306.428 0.433 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246812805 287088164 /nfs/dbraw/zinc/08/81/64/287088164.db2.gz AEIQRKZDWAZMMO-OLZOCXBDSA-N 0 0 320.393 0.242 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C1CCOCC1 ZINC000246620449 287086177 /nfs/dbraw/zinc/08/61/77/287086177.db2.gz VUKLTUWVEUSOIN-QJPTWQEYSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247019715 287090192 /nfs/dbraw/zinc/09/01/92/287090192.db2.gz JKGSLVNGXBAZCV-RKDXNWHRSA-N 0 0 303.409 0.589 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@H]2C)CCN1CCOC ZINC000248891870 287103155 /nfs/dbraw/zinc/10/31/55/287103155.db2.gz FXQUHZGQYIIMFP-MJBXVCDLSA-N 0 0 320.455 0.536 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000248980926 287104537 /nfs/dbraw/zinc/10/45/37/287104537.db2.gz VIJLTSDHZSIBCS-UPJWGTAASA-N 0 0 306.428 0.194 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000249518379 287112673 /nfs/dbraw/zinc/11/26/73/287112673.db2.gz KTWUJQGXBXRDBR-QNWHQSFQSA-N 0 0 318.439 0.636 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000252859914 287121104 /nfs/dbraw/zinc/12/11/04/287121104.db2.gz JLZHFOTVFBDVAV-UBHSHLNASA-N 0 0 309.387 0.933 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252894423 287121139 /nfs/dbraw/zinc/12/11/39/287121139.db2.gz ZEVYYBQUYBAATA-FPMFFAJLSA-N 0 0 309.387 0.933 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000253278774 287121219 /nfs/dbraw/zinc/12/12/19/287121219.db2.gz OQGXEBKJQVRXPI-UHTWSYAYSA-N 0 0 306.366 0.457 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000358396485 287208682 /nfs/dbraw/zinc/20/86/82/287208682.db2.gz NXXZAQZPMNVLQM-ZJUUUORDSA-N 0 0 307.416 0.120 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCCCCC1 ZINC000408355199 287233631 /nfs/dbraw/zinc/23/36/31/287233631.db2.gz QXXPGAQIPYXIGD-CYBMUJFWSA-N 0 0 306.428 0.845 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000542436583 412290067 /nfs/dbraw/zinc/29/00/67/412290067.db2.gz CWVDVYIBXUEIHZ-NSHDSACASA-N 0 0 324.385 0.402 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC(=O)N1 ZINC000408187942 287273285 /nfs/dbraw/zinc/27/32/85/287273285.db2.gz BEMQBZLOHSPTPC-UTUOFQBUSA-N 0 0 305.382 0.842 10 0 DCAERN CCOCCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000024735241 415159145 /nfs/dbraw/zinc/15/91/45/415159145.db2.gz LTKWWBAQPLIUAB-CQSZACIVSA-N 0 0 303.366 1.000 10 0 DCAERN OCCO[C@@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000265260183 415125778 /nfs/dbraw/zinc/12/57/78/415125778.db2.gz YFOWVUIBYSNGHV-ZIAGYGMSSA-N 0 0 322.409 0.415 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC(OC(C)(C)C)CC2)c1=O ZINC000268307087 415192376 /nfs/dbraw/zinc/19/23/76/415192376.db2.gz ZSQDXRJWMDBZDV-UHFFFAOYSA-N 0 0 309.366 0.906 10 0 DCAERN COCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000044983787 415244045 /nfs/dbraw/zinc/24/40/45/415244045.db2.gz PQIMIUZQZNNELD-SNVBAGLBSA-N 0 0 300.380 0.938 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000056143773 415334304 /nfs/dbraw/zinc/33/43/04/415334304.db2.gz FSICUSRQEYCFRS-UHFFFAOYSA-N 0 0 303.362 0.952 10 0 DCAERN CCOc1ccc(OC[C@H](O)CN2CCNC(=O)CC2)cc1 ZINC000068334136 415393587 /nfs/dbraw/zinc/39/35/87/415393587.db2.gz PJHWGBMWDLJZSU-CYBMUJFWSA-N 0 0 308.378 0.647 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000074227915 415429961 /nfs/dbraw/zinc/42/99/61/415429961.db2.gz NLYDYXYKXJYQGN-HIFRSBDPSA-N 0 0 313.361 0.651 10 0 DCAERN Cc1nc2cc(NC(=O)CN3C(=O)CN(C)C3=O)ccc2o1 ZINC000072753661 415416650 /nfs/dbraw/zinc/41/66/50/415416650.db2.gz YSNRFUNQSUPXFZ-UHFFFAOYSA-N 0 0 302.290 0.969 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000067622967 415380825 /nfs/dbraw/zinc/38/08/25/415380825.db2.gz WNNBGMOKTFDJDL-GFCCVEGCSA-N 0 0 306.366 0.253 10 0 DCAERN CNC(=O)Cc1nc(CN2CCCC[C@H]2C(=O)OC)cs1 ZINC000081646841 415483346 /nfs/dbraw/zinc/48/33/46/415483346.db2.gz OHYDQFPEGQMFRC-NSHDSACASA-N 0 0 311.407 0.959 10 0 DCAERN CC(=O)CCCC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000343195843 415496393 /nfs/dbraw/zinc/49/63/93/415496393.db2.gz LIGKXIRNFWDUDB-GFCCVEGCSA-N 0 0 304.412 0.676 10 0 DCAERN CC[C@H](NC(=O)NCc1cccc(C)n1)C(=O)N1CCOCC1 ZINC000084433063 415497813 /nfs/dbraw/zinc/49/78/13/415497813.db2.gz WBRYBZBDTSXIKC-AWEZNQCLSA-N 0 0 320.393 0.827 10 0 DCAERN CC(C)OCCS(=O)(=O)N[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343210721 415502041 /nfs/dbraw/zinc/50/20/41/415502041.db2.gz DKIWMQBSMIWLCI-AAEUAGOBSA-N 0 0 317.411 0.595 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332711549 415452429 /nfs/dbraw/zinc/45/24/29/415452429.db2.gz DQNBILAVRYKWSU-OLZOCXBDSA-N 0 0 306.410 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCS1(=O)=O ZINC000332751885 415462608 /nfs/dbraw/zinc/46/26/08/415462608.db2.gz CDBVTUWLXROZQR-ADEWGFFLSA-N 0 0 302.396 0.382 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CCCC(F)(F)F)C1 ZINC000343157652 415475632 /nfs/dbraw/zinc/47/56/32/415475632.db2.gz KJVWSOFJZFMGPS-DTWKUNHWSA-N 0 0 305.318 0.740 10 0 DCAERN O=C(CS(=O)(=O)c1nc[nH]n1)Nc1cc(F)cc(F)c1 ZINC000086169976 415508065 /nfs/dbraw/zinc/50/80/65/415508065.db2.gz JSEZVMCRLCZHAE-UHFFFAOYSA-N 0 0 302.262 0.495 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](CO)c1ccccc1 ZINC000088405086 415519759 /nfs/dbraw/zinc/51/97/59/415519759.db2.gz JGYODHONMFJLRA-CQSZACIVSA-N 0 0 313.357 0.704 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000091784343 415539019 /nfs/dbraw/zinc/53/90/19/415539019.db2.gz JIHBYBAVGCCKNW-ZDUSSCGKSA-N 0 0 306.366 0.784 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131491 415567304 /nfs/dbraw/zinc/56/73/04/415567304.db2.gz HZHFRDMCWHZBKP-CRWXNKLISA-N 0 0 302.440 0.503 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@H](O)C3)O2)n1 ZINC000333148668 415569730 /nfs/dbraw/zinc/56/97/30/415569730.db2.gz LMKYQRKTBWGULA-TUAOUCFPSA-N 0 0 310.354 0.764 10 0 DCAERN COC(=O)c1ccc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nc1OC ZINC000285009755 415604916 /nfs/dbraw/zinc/60/49/16/415604916.db2.gz MHAGXFLZEAHLBF-OLZOCXBDSA-N 0 0 321.377 0.786 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)CC(=O)N1C ZINC000282477267 415578048 /nfs/dbraw/zinc/57/80/48/415578048.db2.gz VHBUOPBHJLUASK-LLVKDONJSA-N 0 0 313.357 0.841 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000333189313 415578336 /nfs/dbraw/zinc/57/83/36/415578336.db2.gz VHBPQCQNEDUBEJ-FDYHWXHSSA-N 0 0 318.377 0.280 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC000284367745 415594297 /nfs/dbraw/zinc/59/42/97/415594297.db2.gz FDVCDIRURQSULQ-QWHCGFSZSA-N 0 0 301.350 0.274 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)C2CC2)C1 ZINC000333533373 415675172 /nfs/dbraw/zinc/67/51/72/415675172.db2.gz MPGKWUKOBFFYHM-DGCLKSJQSA-N 0 0 322.409 0.660 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000116900168 415733388 /nfs/dbraw/zinc/73/33/88/415733388.db2.gz FKZSITURPNCAAM-HZSPNIEDSA-N 0 0 319.471 0.472 10 0 DCAERN Cn1nc(NC(=O)N2CCN(C(=O)C3CC3)C2)cc1C1CC1 ZINC000333637046 415702194 /nfs/dbraw/zinc/70/21/94/415702194.db2.gz BPDPRDYTABXQQN-UHFFFAOYSA-N 0 0 303.366 1.341 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112657442 415710379 /nfs/dbraw/zinc/71/03/79/415710379.db2.gz DBWKFEOTLDXWJI-VXGBXAGGSA-N 0 0 305.382 0.500 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CC(=O)N(C)C1)C2 ZINC000112667560 415715221 /nfs/dbraw/zinc/71/52/21/415715221.db2.gz DMIFNJVVNPOENV-NSHDSACASA-N 0 0 304.394 0.907 10 0 DCAERN COc1nc(C)nc(N2CCC[C@H](N3CCNCC3=O)C2)c1C ZINC000333927052 415769035 /nfs/dbraw/zinc/76/90/35/415769035.db2.gz WBNURVRHBSYJRE-ZDUSSCGKSA-N 0 0 319.409 0.503 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)CCC1=O ZINC000120530260 415776070 /nfs/dbraw/zinc/77/60/70/415776070.db2.gz KZAPWEGUJRFACY-CQSZACIVSA-N 0 0 315.373 0.851 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](COC)C3CC3)CCO2)[nH]1 ZINC000119856070 415750744 /nfs/dbraw/zinc/75/07/44/415750744.db2.gz NASOYVLSGUJTBJ-VXGBXAGGSA-N 0 0 323.397 0.875 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2CCCC[C@@H]2CC(N)=O)CC1 ZINC000119873227 415752820 /nfs/dbraw/zinc/75/28/20/415752820.db2.gz WOSRELDDYGRJPF-CYBMUJFWSA-N 0 0 324.425 0.637 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCS1(=O)=O ZINC000122391064 415833744 /nfs/dbraw/zinc/83/37/44/415833744.db2.gz SQVMARNQUTZHPP-LLVKDONJSA-N 0 0 307.375 0.682 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000122710309 415835594 /nfs/dbraw/zinc/83/55/94/415835594.db2.gz MZTDCCKOZCKPIK-CHWSQXEVSA-N 0 0 307.460 0.350 10 0 DCAERN Cc1cccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)n1 ZINC000123213609 415837625 /nfs/dbraw/zinc/83/76/25/415837625.db2.gz GAOPVIITKAWJJB-UHFFFAOYSA-N 0 0 304.350 0.680 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000123224493 415840150 /nfs/dbraw/zinc/84/01/50/415840150.db2.gz ACGVBJBPZBPHLX-ZDUSSCGKSA-N 0 0 305.444 0.106 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCC[C@H]1CO ZINC000120968025 415790338 /nfs/dbraw/zinc/79/03/38/415790338.db2.gz UFNGEVHQKLRIDN-JTQLQIEISA-N 0 0 315.333 0.394 10 0 DCAERN CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000121304831 415799176 /nfs/dbraw/zinc/79/91/76/415799176.db2.gz QZNMNSPXHBBAEP-JTQLQIEISA-N 0 0 321.381 0.766 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000121479171 415803862 /nfs/dbraw/zinc/80/38/62/415803862.db2.gz NFWXPLBDQDOVFN-UHFFFAOYSA-N 0 0 313.361 0.540 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CC(C(=O)NCC)C2)CCCC1 ZINC000121695678 415813664 /nfs/dbraw/zinc/81/36/64/415813664.db2.gz REDUWWKHKJJZAR-UHFFFAOYSA-N 0 0 310.398 0.213 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000122138368 415825794 /nfs/dbraw/zinc/82/57/94/415825794.db2.gz CCBQGIMLXIIJIH-GFCCVEGCSA-N 0 0 303.370 0.633 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000131158827 415928492 /nfs/dbraw/zinc/92/84/92/415928492.db2.gz WJRUCJDKMUCPEO-WCQYABFASA-N 0 0 318.439 0.874 10 0 DCAERN O[C@H](COC1CCOCC1)CN1CCN(c2cccnn2)CC1 ZINC000127484946 415887062 /nfs/dbraw/zinc/88/70/62/415887062.db2.gz XATYUZWDNGLCTP-AWEZNQCLSA-N 0 0 322.409 0.155 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000128255013 415895151 /nfs/dbraw/zinc/89/51/51/415895151.db2.gz LVSWKALOYSQUNY-OLZOCXBDSA-N 0 0 322.409 0.452 10 0 DCAERN CCCCSCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128052561 415896050 /nfs/dbraw/zinc/89/60/50/415896050.db2.gz AHRNNMKUQLKQGN-CYBMUJFWSA-N 0 0 304.456 0.719 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C(N)=O)cn1C ZINC000128638932 415902000 /nfs/dbraw/zinc/90/20/00/415902000.db2.gz VAGUTIRJQZUHLV-VIFPVBQESA-N 0 0 309.366 0.926 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCCCOCC(F)(F)F ZINC000129920043 415915453 /nfs/dbraw/zinc/91/54/53/415915453.db2.gz ZETNGKPVUGNTKW-UHFFFAOYSA-N 0 0 319.283 0.897 10 0 DCAERN Cc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 ZINC000130362662 415916732 /nfs/dbraw/zinc/91/67/32/415916732.db2.gz LUEYPRXJRUFFLR-INIZCTEOSA-N 0 0 316.361 0.727 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CC(c3ccccc3)=NO2)CCC1=O ZINC000133662947 415948524 /nfs/dbraw/zinc/94/85/24/415948524.db2.gz UKIPYTCVOQVFAB-GXTWGEPZSA-N 0 0 301.346 0.917 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2cccnn2)CC1 ZINC000134225156 415955135 /nfs/dbraw/zinc/95/51/35/415955135.db2.gz BDQGPXAKUJJUDT-GFCCVEGCSA-N 0 0 312.377 0.968 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000134331273 415955190 /nfs/dbraw/zinc/95/51/90/415955190.db2.gz WROHWMYSSSGYCU-CHWSQXEVSA-N 0 0 315.377 0.954 10 0 DCAERN CC(C)[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000134224381 415956743 /nfs/dbraw/zinc/95/67/43/415956743.db2.gz KBOVLQPCJVQRRP-GZBFAFLISA-N 0 0 305.378 0.734 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000152682700 415969721 /nfs/dbraw/zinc/96/97/21/415969721.db2.gz SFZYYFOKOJKVFO-JOYOIKCWSA-N 0 0 309.391 0.558 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccc(C)o2)[C@@H](C)C1 ZINC000297746362 415971510 /nfs/dbraw/zinc/97/15/10/415971510.db2.gz JRCMNYDPWLLQHM-NSHDSACASA-N 0 0 321.377 0.626 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000152783100 415972129 /nfs/dbraw/zinc/97/21/29/415972129.db2.gz XIDBZUGROGKJKS-KGLIPLIRSA-N 0 0 303.362 0.885 10 0 DCAERN C[C@@H](CC(=O)N[C@@H]1CCC(=O)NC1=O)C(=O)c1cccc(F)c1 ZINC000153421028 415981096 /nfs/dbraw/zinc/98/10/96/415981096.db2.gz AJQFXRHDZOBSIY-JOYOIKCWSA-N 0 0 320.320 0.956 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000153681833 415986487 /nfs/dbraw/zinc/98/64/87/415986487.db2.gz CCGKUMOYXDDWCO-GHMZBOCLSA-N 0 0 306.366 0.859 10 0 DCAERN CC(=O)N(Cc1ccc(NC(=O)CNC(N)=O)cc1)C1CC1 ZINC000344824215 415994197 /nfs/dbraw/zinc/99/41/97/415994197.db2.gz IVIPMKQZPOGZTL-UHFFFAOYSA-N 0 0 304.350 0.804 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3[C@@H](C)CN(C)C[C@@H]3C)nc2n1 ZINC000155484894 415996714 /nfs/dbraw/zinc/99/67/14/415996714.db2.gz KKALRCOTATZGLI-RYUDHWBXSA-N 0 0 302.382 0.906 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3[C@H](C)CN(C)C[C@@H]3C)nc2n1 ZINC000155484789 415997167 /nfs/dbraw/zinc/99/71/67/415997167.db2.gz KKALRCOTATZGLI-TXEJJXNPSA-N 0 0 302.382 0.906 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000156834683 415997549 /nfs/dbraw/zinc/99/75/49/415997549.db2.gz YZTXRUYEWHUNOO-LBPRGKRZSA-N 0 0 312.391 0.805 10 0 DCAERN CCCNC(=O)c1cccc(C(=O)N2CCNC(=O)CC2)c1 ZINC000132810426 415935402 /nfs/dbraw/zinc/93/54/02/415935402.db2.gz QPSVKSWDRREBFI-UHFFFAOYSA-N 0 0 303.362 0.789 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCOC1)S(=O)(=O)c1ccccc1 ZINC000171684457 416041275 /nfs/dbraw/zinc/04/12/75/416041275.db2.gz AOTALLUVXIZUKE-GFCCVEGCSA-N 0 0 312.391 0.602 10 0 DCAERN COc1ncnc(OC)c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171857389 416042439 /nfs/dbraw/zinc/04/24/39/416042439.db2.gz ACTOXKFYQYZVRQ-LLVKDONJSA-N 0 0 306.366 0.804 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000357201538 416043964 /nfs/dbraw/zinc/04/39/64/416043964.db2.gz DFCGPNVLVKBADB-LBPRGKRZSA-N 0 0 303.428 0.516 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2COCCO2)C[C@H]1CC ZINC000172300110 416044890 /nfs/dbraw/zinc/04/48/90/416044890.db2.gz ZSGYVYJFKFMRKU-KGLIPLIRSA-N 0 0 300.399 0.361 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCNC(=O)c2ccco2)C1 ZINC000172535057 416045256 /nfs/dbraw/zinc/04/52/56/416045256.db2.gz RAWFVQSADFNJNS-MNOVXSKESA-N 0 0 322.365 0.353 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000357208891 416045241 /nfs/dbraw/zinc/04/52/41/416045241.db2.gz WVBHOQGRYHJISL-VXGBXAGGSA-N 0 0 303.428 0.516 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccco2)C1 ZINC000172535048 416046096 /nfs/dbraw/zinc/04/60/96/416046096.db2.gz RAWFVQSADFNJNS-WDEREUQCSA-N 0 0 322.365 0.353 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172575560 416046788 /nfs/dbraw/zinc/04/67/88/416046788.db2.gz QYRDWWXVYDHOHU-MNOVXSKESA-N 0 0 312.414 0.492 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172692472 416047892 /nfs/dbraw/zinc/04/78/92/416047892.db2.gz VDJISPPGLYKAMW-ZDUSSCGKSA-N 0 0 318.377 0.329 10 0 DCAERN NC(=O)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000173013740 416051238 /nfs/dbraw/zinc/05/12/38/416051238.db2.gz MPTWZPUQUVBLPU-CYBMUJFWSA-N 0 0 303.362 0.069 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173353872 416057662 /nfs/dbraw/zinc/05/76/62/416057662.db2.gz BALZHBZIQCUBHP-CMPLNLGQSA-N 0 0 311.386 0.028 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCCC(=O)NC(C)C)CCO2)[nH]1 ZINC000173539200 416059549 /nfs/dbraw/zinc/05/95/49/416059549.db2.gz XHORQWBUDOKQGT-GFCCVEGCSA-N 0 0 323.397 0.708 10 0 DCAERN CCC[C@@H](CCO)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000173826717 416066434 /nfs/dbraw/zinc/06/64/34/416066434.db2.gz UQZOKMOSCABFIZ-KGLIPLIRSA-N 0 0 301.431 0.805 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000357382131 416070421 /nfs/dbraw/zinc/07/04/21/416070421.db2.gz QSRGUXZLHNCWRA-ZOBORPQBSA-N 0 0 312.410 0.630 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000357383610 416071621 /nfs/dbraw/zinc/07/16/21/416071621.db2.gz YLMQTLUYBNTZEV-HNNXBMFYSA-N 0 0 307.346 0.707 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338280526 416072016 /nfs/dbraw/zinc/07/20/16/416072016.db2.gz HHMLHAWGQTVQBU-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[C@H](C)O ZINC000300426715 416072459 /nfs/dbraw/zinc/07/24/59/416072459.db2.gz JMQCAUUHFIAUEM-NWDGAFQWSA-N 0 0 306.428 0.468 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000174272145 416075211 /nfs/dbraw/zinc/07/52/11/416075211.db2.gz QSCLHZXVVKQKLP-UHFFFAOYSA-N 0 0 317.397 0.936 10 0 DCAERN CC(=O)NCCNC(=O)NCCCNC(=O)c1ccccc1 ZINC000338314209 416077087 /nfs/dbraw/zinc/07/70/87/416077087.db2.gz IIBNTYURKMTWDY-UHFFFAOYSA-N 0 0 306.366 0.242 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)C(C)C ZINC000158864468 416003175 /nfs/dbraw/zinc/00/31/75/416003175.db2.gz NNANUOGGZWPLGX-LLVKDONJSA-N 0 0 301.364 0.768 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C ZINC000166751385 416023354 /nfs/dbraw/zinc/02/33/54/416023354.db2.gz SCHXNXAIFDLMNW-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN CCNS(=O)(=O)c1ccccc1N1CCO[C@@H](CO)C1 ZINC000167758567 416025141 /nfs/dbraw/zinc/02/51/41/416025141.db2.gz BMZRSOZPNCDAOL-LLVKDONJSA-N 0 0 300.380 0.182 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCCN1CCOCC1 ZINC000170685626 416029528 /nfs/dbraw/zinc/02/95/28/416029528.db2.gz NOZOJHQNUFGDDA-UONOGXRCSA-N 0 0 311.426 0.601 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCOC1 ZINC000171693916 416039648 /nfs/dbraw/zinc/03/96/48/416039648.db2.gz BQFWNNNAEBMWHL-GFCCVEGCSA-N 0 0 303.366 0.969 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619524 416040382 /nfs/dbraw/zinc/04/03/82/416040382.db2.gz ILLJCBUTRCHUKN-AWEZNQCLSA-N 0 0 317.397 0.307 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000174854462 416087723 /nfs/dbraw/zinc/08/77/23/416087723.db2.gz RHRSHDAHNZLEFD-ZDUSSCGKSA-N 0 0 313.361 0.594 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@H](n3cncn3)C2)C1=O ZINC000174945958 416092694 /nfs/dbraw/zinc/09/26/94/416092694.db2.gz MTFKKINVBLMENI-QWHCGFSZSA-N 0 0 320.397 0.634 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000312228396 416105801 /nfs/dbraw/zinc/10/58/01/416105801.db2.gz GWWOTNNAMDKETL-VIFPVBQESA-N 0 0 313.301 0.591 10 0 DCAERN Cn1ncc(NC2COCCOC2)c(Br)c1=O ZINC000310543598 416106551 /nfs/dbraw/zinc/10/65/51/416106551.db2.gz CZXFWUQPZPYTHD-UHFFFAOYSA-N 0 0 304.144 0.370 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000175548443 416108862 /nfs/dbraw/zinc/10/88/62/416108862.db2.gz BAYYLDQGFZVENQ-LBPRGKRZSA-N 0 0 319.369 0.401 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175604952 416110931 /nfs/dbraw/zinc/11/09/31/416110931.db2.gz LJQDMPYARVSULD-CYBMUJFWSA-N 0 0 307.398 0.892 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2cccn2)C[C@@H]1N1CCOCC1 ZINC000175656924 416113331 /nfs/dbraw/zinc/11/33/31/416113331.db2.gz SOEQIKMKEQIKOU-GJZGRUSLSA-N 0 0 321.425 0.635 10 0 DCAERN Cc1nnc([C@H]2CN(c3nc(C)nc4c3cnn4C)CCO2)[nH]1 ZINC000175777990 416114838 /nfs/dbraw/zinc/11/48/38/416114838.db2.gz ZLYYOSFDHNHYLY-LLVKDONJSA-N 0 0 314.353 0.676 10 0 DCAERN COC[C@@H](CO)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357713389 416119958 /nfs/dbraw/zinc/11/99/58/416119958.db2.gz SZOKJAMXEYVRAM-SNVBAGLBSA-N 0 0 303.318 0.586 10 0 DCAERN Cc1nnc(NC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1 ZINC000328619749 416123511 /nfs/dbraw/zinc/12/35/11/416123511.db2.gz GEDWJMNIECHEIW-SECBINFHSA-N 0 0 307.383 1.090 10 0 DCAERN COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000176447733 416125001 /nfs/dbraw/zinc/12/50/01/416125001.db2.gz HPELOFZEJSMPNF-QKCSRTOESA-N 0 0 304.346 0.789 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(NC(N)=O)cc2)[C@@H](C)C1 ZINC000357937488 416156635 /nfs/dbraw/zinc/15/66/35/416156635.db2.gz WVSYIPJDAWCTGB-JTQLQIEISA-N 0 0 304.350 0.870 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1noc(Cc2ccccc2)n1 ZINC000176480658 416127886 /nfs/dbraw/zinc/12/78/86/416127886.db2.gz VJUSTRGBJIMVCN-ZYHUDNBSSA-N 0 0 314.345 0.974 10 0 DCAERN CCc1nc(CNC(=O)CN(C)S(=O)(=O)CC)cs1 ZINC000176551915 416128056 /nfs/dbraw/zinc/12/80/56/416128056.db2.gz YKHAQBZRYLRJLJ-UHFFFAOYSA-N 0 0 305.425 0.603 10 0 DCAERN COc1csc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000176480271 416128371 /nfs/dbraw/zinc/12/83/71/416128371.db2.gz SRBSZVQCURVHIQ-AWEZNQCLSA-N 0 0 314.407 0.570 10 0 DCAERN COC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)CCO1 ZINC000176628887 416131266 /nfs/dbraw/zinc/13/12/66/416131266.db2.gz ZLJGGWFGFDZQCF-ZDUSSCGKSA-N 0 0 306.362 0.599 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@H]2O)o1 ZINC000176644507 416131348 /nfs/dbraw/zinc/13/13/48/416131348.db2.gz TXFHWFSQLKZXFH-GXTWGEPZSA-N 0 0 315.329 0.836 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176990263 416138330 /nfs/dbraw/zinc/13/83/30/416138330.db2.gz ZIQAUERWJBOZTB-CHWSQXEVSA-N 0 0 306.428 0.005 10 0 DCAERN CCc1cnc(CNC(=O)CN(C)S(=O)(=O)CC)s1 ZINC000176944622 416138858 /nfs/dbraw/zinc/13/88/58/416138858.db2.gz WQBJAXGPIVHTKH-UHFFFAOYSA-N 0 0 305.425 0.603 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@@H]1CCCO1 ZINC000177046560 416140785 /nfs/dbraw/zinc/14/07/85/416140785.db2.gz JECBCGWVHIMKBA-RYUDHWBXSA-N 0 0 300.399 0.944 10 0 DCAERN CCOC1CC(N(C)C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000357854706 416141174 /nfs/dbraw/zinc/14/11/74/416141174.db2.gz IHIKDPDZBVRHAG-UHFFFAOYSA-N 0 0 323.397 0.998 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)CC(C)C)[C@@H](C)C1 ZINC000357942937 416157101 /nfs/dbraw/zinc/15/71/01/416157101.db2.gz UXDVLGFGVSRHHK-NSHDSACASA-N 0 0 304.412 0.136 10 0 DCAERN C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282525 416144544 /nfs/dbraw/zinc/14/45/44/416144544.db2.gz JZYNGFGDWGLKMN-MNOVXSKESA-N 0 0 309.332 0.317 10 0 DCAERN COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177272443 416145023 /nfs/dbraw/zinc/14/50/23/416145023.db2.gz LRZANOGSGRJCNX-ILXRZTDVSA-N 0 0 313.442 0.180 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 ZINC000178133368 416157210 /nfs/dbraw/zinc/15/72/10/416157210.db2.gz JENXOXMWSNDYDR-SECBINFHSA-N 0 0 309.391 0.461 10 0 DCAERN COC(=O)[C@H](Nc1cnn(CCN2CCOCC2)c1)C1CC1 ZINC000357896533 416148691 /nfs/dbraw/zinc/14/86/91/416148691.db2.gz SIQOYXHNKXTWDZ-CQSZACIVSA-N 0 0 308.382 0.579 10 0 DCAERN COC[C@H](CNC(=O)Cn1cc(-c2ccccc2)nn1)OC ZINC000357920839 416153711 /nfs/dbraw/zinc/15/37/11/416153711.db2.gz DQUDSLZWAAOSKJ-ZDUSSCGKSA-N 0 0 304.350 0.723 10 0 DCAERN CCNC(=O)C1CN(C(=O)COCCOc2ccccc2)C1 ZINC000178126993 416157444 /nfs/dbraw/zinc/15/74/44/416157444.db2.gz RRJGWJXAHLOTIL-UHFFFAOYSA-N 0 0 306.362 0.677 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@@H](O)C(C)C)CC2)n1 ZINC000178644536 416167796 /nfs/dbraw/zinc/16/77/96/416167796.db2.gz XMEBSGCPCNSAAU-CYBMUJFWSA-N 0 0 322.409 0.835 10 0 DCAERN Cc1nc(SCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)n[nH]1 ZINC000178664270 416168752 /nfs/dbraw/zinc/16/87/52/416168752.db2.gz WJQJTCRGTGWAFL-WCQYABFASA-N 0 0 304.375 0.980 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000178689128 416169538 /nfs/dbraw/zinc/16/95/38/416169538.db2.gz COBKMXTXFLSNBU-ZIAGYGMSSA-N 0 0 312.410 0.633 10 0 DCAERN COc1cc(/C=C/C(=O)NC[C@H]2CN3CCN2CC3)ccc1F ZINC000178787992 416172189 /nfs/dbraw/zinc/17/21/89/416172189.db2.gz VLPXSQANGYWKKT-KQIUPUNMSA-N 0 0 319.380 0.964 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000345954848 416174827 /nfs/dbraw/zinc/17/48/27/416174827.db2.gz NDLPECOWJADRDJ-HNNXBMFYSA-N 0 0 316.361 0.945 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000178997215 416178795 /nfs/dbraw/zinc/17/87/95/416178795.db2.gz BBOXXBRBBFGDNG-CQSZACIVSA-N 0 0 302.378 0.050 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)C(C)C ZINC000179127779 416182761 /nfs/dbraw/zinc/18/27/61/416182761.db2.gz GCROKPLHCMBCJY-CYBMUJFWSA-N 0 0 309.341 0.442 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000179185095 416184290 /nfs/dbraw/zinc/18/42/90/416184290.db2.gz MRTUJTFFUZCIIM-HIFRSBDPSA-N 0 0 319.405 0.062 10 0 DCAERN Nc1ccnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000179212601 416185144 /nfs/dbraw/zinc/18/51/44/416185144.db2.gz XAYINSHDRKCQIA-OAHLLOKOSA-N 0 0 313.405 0.910 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)Cn2ncn(C)c2=O)cc1F ZINC000179394535 416186364 /nfs/dbraw/zinc/18/63/64/416186364.db2.gz HMPBLKZNIPJTOS-SECBINFHSA-N 0 0 308.313 0.607 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC2)n1 ZINC000179430923 416187564 /nfs/dbraw/zinc/18/75/64/416187564.db2.gz WBMCGLWFZKKREM-NEPJUHHUSA-N 0 0 322.409 0.835 10 0 DCAERN COC[C@H](C)N(C)C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000179478967 416189151 /nfs/dbraw/zinc/18/91/51/416189151.db2.gz PETPZKNJLBEZPP-NWDGAFQWSA-N 0 0 306.428 0.540 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@@H](C3CC3)C2)C1=O ZINC000330121942 416196745 /nfs/dbraw/zinc/19/67/45/416196745.db2.gz HDTXFFLOFSAGLX-WBMJQRKESA-N 0 0 321.377 0.549 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@]2(OC)CCOC2)C1 ZINC000330186228 416198092 /nfs/dbraw/zinc/19/80/92/416198092.db2.gz JOVHYZDBOQXAMI-UHIISALHSA-N 0 0 311.338 0.472 10 0 DCAERN Cc1[nH]nc(C(C)C)c1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180967941 416203264 /nfs/dbraw/zinc/20/32/64/416203264.db2.gz MNNHWCVTRSGVNN-UHFFFAOYSA-N 0 0 304.354 0.724 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000181143952 416204748 /nfs/dbraw/zinc/20/47/48/416204748.db2.gz CCQSMVNVHRJROL-KFNAQCHYSA-N 0 0 314.426 0.565 10 0 DCAERN COc1n[nH]c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)n1 ZINC000182992496 416234298 /nfs/dbraw/zinc/23/42/98/416234298.db2.gz QUMMXMSLVNVIFF-VIFPVBQESA-N 0 0 303.322 0.960 10 0 DCAERN CC1=CC[N@H+](CCNC(=O)NC[C@H](C)CN2CCOCC2)CC1 ZINC000358194630 416208650 /nfs/dbraw/zinc/20/86/50/416208650.db2.gz SECFMGWGRHOHMM-INIZCTEOSA-N 0 0 324.469 0.906 10 0 DCAERN CN(CCCO)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000358203506 416211089 /nfs/dbraw/zinc/21/10/89/416211089.db2.gz DBBXFKWPMFOIHL-JTQLQIEISA-N 0 0 313.320 0.273 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC3(CO)CCC3)C2)cn1 ZINC000181842260 416211209 /nfs/dbraw/zinc/21/12/09/416211209.db2.gz GDOACUCLEBTMGY-CYBMUJFWSA-N 0 0 321.425 0.851 10 0 DCAERN COCCCS(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729550 416211924 /nfs/dbraw/zinc/21/19/24/416211924.db2.gz PYSXZELRLNLSMZ-LLVKDONJSA-N 0 0 316.427 0.672 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)Cc2ccccc2)cn1 ZINC000181693270 416212410 /nfs/dbraw/zinc/21/24/10/416212410.db2.gz PNYKNBZPBODVCI-OAHLLOKOSA-N 0 0 320.418 0.896 10 0 DCAERN O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1ccnnc1 ZINC000358208010 416212790 /nfs/dbraw/zinc/21/27/90/416212790.db2.gz DZPALTBXAPMFTL-UHFFFAOYSA-N 0 0 315.264 0.924 10 0 DCAERN CCc1nc(NC(=O)C2CCN(Cc3nccn3C)CC2)n[nH]1 ZINC000182266380 416217459 /nfs/dbraw/zinc/21/74/59/416217459.db2.gz HFSVWOAYDNABQB-UHFFFAOYSA-N 0 0 317.397 0.951 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N(CCO)C1CC1 ZINC000182529303 416225067 /nfs/dbraw/zinc/22/50/67/416225067.db2.gz QCYZSXFUTLPYSB-CQSZACIVSA-N 0 0 318.377 0.743 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)C2CC2)C1 ZINC000358354175 416227829 /nfs/dbraw/zinc/22/78/29/416227829.db2.gz PAOCQRRRPCENBB-OLZOCXBDSA-N 0 0 318.439 0.183 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182694752 416228318 /nfs/dbraw/zinc/22/83/18/416228318.db2.gz ULJKYXOHIDTASA-LLVKDONJSA-N 0 0 309.370 0.353 10 0 DCAERN Cc1ccc(CNC(=O)NCC(=O)NC[C@H](CO)C2CC2)cc1 ZINC000358364459 416228997 /nfs/dbraw/zinc/22/89/97/416228997.db2.gz YXDKHKLXVMJZPK-OAHLLOKOSA-N 0 0 319.405 0.929 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000341754172 416231344 /nfs/dbraw/zinc/23/13/44/416231344.db2.gz NYJDHXAVZAUPGL-CVSAEHQPSA-N 0 0 324.421 0.897 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000182841765 416232266 /nfs/dbraw/zinc/23/22/66/416232266.db2.gz OGNRTHUDKXRINA-IINYFYTJSA-N 0 0 314.407 0.770 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@@H](C)CCO)CC2)n1 ZINC000178612701 416165396 /nfs/dbraw/zinc/16/53/96/416165396.db2.gz LMWUVHUSDXBXNT-NSHDSACASA-N 0 0 308.382 0.589 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCC(=O)N(C)C)no1 ZINC000358471153 416243478 /nfs/dbraw/zinc/24/34/78/416243478.db2.gz CSCINAZQFMEGCM-UHFFFAOYSA-N 0 0 312.326 0.084 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000183599955 416246926 /nfs/dbraw/zinc/24/69/26/416246926.db2.gz MQFQWSFJSMBTBY-LBPRGKRZSA-N 0 0 319.317 0.804 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000183734811 416247893 /nfs/dbraw/zinc/24/78/93/416247893.db2.gz RVNQGNNYRATPCF-CYBMUJFWSA-N 0 0 320.389 0.793 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnn(CCC(F)(F)F)c1 ZINC000183686916 416249042 /nfs/dbraw/zinc/24/90/42/416249042.db2.gz FUNVUYDDOQLZAZ-QMMMGPOBSA-N 0 0 318.255 0.371 10 0 DCAERN CCOC(=O)CCCS(=O)(=O)N(C)Cc1noc(C)n1 ZINC000358528031 416250966 /nfs/dbraw/zinc/25/09/66/416250966.db2.gz ZIPAOTZWPWOLGT-UHFFFAOYSA-N 0 0 305.356 0.483 10 0 DCAERN CNC(=O)NC(=O)CN1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000184751311 416251981 /nfs/dbraw/zinc/25/19/81/416251981.db2.gz XLGKKBBAYAUBGX-CYBMUJFWSA-N 0 0 322.340 0.063 10 0 DCAERN CN1C(=O)CCc2cc([C@@H]3NC(=O)[C@@H]4COCCN34)ccc21 ZINC000186884763 416259204 /nfs/dbraw/zinc/25/92/04/416259204.db2.gz RIVKHFZOJUNLDY-DZGCQCFKSA-N 0 0 301.346 0.425 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2ccc(F)cc2)CCN1CCO ZINC000187280187 416260525 /nfs/dbraw/zinc/26/05/25/416260525.db2.gz KTEWKZLZSJYJMO-LBPRGKRZSA-N 0 0 323.368 0.081 10 0 DCAERN O=C(C1CC1)N1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000187161092 416260810 /nfs/dbraw/zinc/26/08/10/416260810.db2.gz HWFSCXPLAZMTNT-CJNGLKHVSA-N 0 0 308.378 0.405 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000189720125 416270264 /nfs/dbraw/zinc/27/02/64/416270264.db2.gz CNZHVOGOKLGDPB-GHMZBOCLSA-N 0 0 318.439 0.573 10 0 DCAERN COC(=O)C1(NC(=O)C[N@H+](C)CC2(CO)CC2)CCCCC1 ZINC000190030633 416273131 /nfs/dbraw/zinc/27/31/31/416273131.db2.gz XKZULTPWDPINDG-UHFFFAOYSA-N 0 0 312.410 0.683 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCC1=O ZINC000190035056 416273627 /nfs/dbraw/zinc/27/36/27/416273627.db2.gz GLOZSIDIIDGOHF-ONGXEEELSA-N 0 0 304.412 0.436 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 ZINC000190272336 416278543 /nfs/dbraw/zinc/27/85/43/416278543.db2.gz DNXRDENSKUWCEM-UONOGXRCSA-N 0 0 318.381 0.754 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 ZINC000190021020 416274078 /nfs/dbraw/zinc/27/40/78/416274078.db2.gz GFWHZXKNRSDMJA-DZGCQCFKSA-N 0 0 303.366 0.880 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCC(=O)NCC1CC1 ZINC000183285572 416239805 /nfs/dbraw/zinc/23/98/05/416239805.db2.gz LAIBAZVUMRLQOU-LLVKDONJSA-N 0 0 306.362 0.589 10 0 DCAERN Cc1nc(CNC(=O)c2cc(Br)nn2C)no1 ZINC000192121051 416300533 /nfs/dbraw/zinc/30/05/33/416300533.db2.gz SKXKEQLYSQLLPZ-UHFFFAOYSA-N 0 0 300.116 0.804 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)[C@H](C)C1 ZINC000359085363 416305699 /nfs/dbraw/zinc/30/56/99/416305699.db2.gz SSEXALSCCZPCFQ-VXGBXAGGSA-N 0 0 313.398 0.836 10 0 DCAERN C[C@H](O)CCNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000359162361 416308243 /nfs/dbraw/zinc/30/82/43/416308243.db2.gz DHFXIUCXMKDPBQ-NSHDSACASA-N 0 0 306.366 0.507 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C)n2CC(C)C)C1 ZINC000359166938 416309487 /nfs/dbraw/zinc/30/94/87/416309487.db2.gz VIOBQFOEBFOEHR-LBPRGKRZSA-N 0 0 315.443 0.761 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCCCNC1=O ZINC000193221715 416314272 /nfs/dbraw/zinc/31/42/72/416314272.db2.gz BLAFEJMBTTTWEN-CYBMUJFWSA-N 0 0 307.398 0.547 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)NCc1cc[nH]n1 ZINC000193425101 416317665 /nfs/dbraw/zinc/31/76/65/416317665.db2.gz CORUZVBCDSILQW-UHFFFAOYSA-N 0 0 313.405 0.844 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)CN(C3CC3)C2=O)c1 ZINC000359307202 416320823 /nfs/dbraw/zinc/32/08/23/416320823.db2.gz TYWHGKOYNRGACD-UHFFFAOYSA-N 0 0 309.347 0.526 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000193925191 416320981 /nfs/dbraw/zinc/32/09/81/416320981.db2.gz GEQGYRYHIZXOKM-WDEREUQCSA-N 0 0 304.350 0.441 10 0 DCAERN O=C1NC(=O)[C@@H](Cc2nc(CCCc3ccccc3)no2)N1 ZINC000358847782 416283340 /nfs/dbraw/zinc/28/33/40/416283340.db2.gz GKWYCJQRXCRNQE-LLVKDONJSA-N 0 0 300.318 0.995 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000191898761 416291819 /nfs/dbraw/zinc/29/18/19/416291819.db2.gz AKNXBJZIKRSEEC-CYBMUJFWSA-N 0 0 322.386 0.960 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000191852175 416292346 /nfs/dbraw/zinc/29/23/46/416292346.db2.gz FROCVNCCUFPXFK-AWEZNQCLSA-N 0 0 315.373 0.824 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192075614 416298363 /nfs/dbraw/zinc/29/83/63/416298363.db2.gz JNNBIOVJRICUAF-JTQLQIEISA-N 0 0 321.381 0.387 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000248444681 416333339 /nfs/dbraw/zinc/33/33/39/416333339.db2.gz BQFRIPQLFWAXME-SYFXHTMXSA-N 0 0 323.418 0.484 10 0 DCAERN C[C@@H](CN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000248478970 416333613 /nfs/dbraw/zinc/33/36/13/416333613.db2.gz ZPNIYJBTACWUTQ-NWDGAFQWSA-N 0 0 324.450 0.902 10 0 DCAERN COCCn1cc(C(=O)NC[C@H](CO)C2CC2)c(=O)cc1C ZINC000359779403 416358302 /nfs/dbraw/zinc/35/83/02/416358302.db2.gz WSCPNTKFNTUPGR-CYBMUJFWSA-N 0 0 308.378 0.551 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000252652200 416334568 /nfs/dbraw/zinc/33/45/68/416334568.db2.gz IUTINGSCPFSQSC-KBPBESRZSA-N 0 0 305.378 0.444 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2COCC2(C)C)C1 ZINC000263341972 416337928 /nfs/dbraw/zinc/33/79/28/416337928.db2.gz FQEWLXZIRPBHMS-MCIGGMRASA-N 0 0 313.398 0.648 10 0 DCAERN OC[C@@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)ncn1 ZINC000264316706 416339016 /nfs/dbraw/zinc/33/90/16/416339016.db2.gz INGARSLVHIGJHS-IUCAKERBSA-N 0 0 306.288 0.773 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000265251951 416341312 /nfs/dbraw/zinc/34/13/12/416341312.db2.gz AUBDPXPCFCNVLZ-GXFFZTMASA-N 0 0 302.371 0.483 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCCCC1=O ZINC000194602277 416323350 /nfs/dbraw/zinc/32/33/50/416323350.db2.gz VPIDAGFGMPQCCX-QWHCGFSZSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000194501343 416323398 /nfs/dbraw/zinc/32/33/98/416323398.db2.gz QZKPNAVJFJTMBD-JHJVBQTASA-N 0 0 320.393 0.704 10 0 DCAERN COc1cccc(CNC(=O)N[C@H](C)CN2CCCC2=O)n1 ZINC000194641150 416323817 /nfs/dbraw/zinc/32/38/17/416323817.db2.gz NGXMGRWZEVVYJF-LLVKDONJSA-N 0 0 306.366 0.900 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)NC[C@@H](CO)C1CC1 ZINC000359778579 416358119 /nfs/dbraw/zinc/35/81/19/416358119.db2.gz PRUSGDJXSAVESB-HNNXBMFYSA-N 0 0 318.421 0.338 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000360868155 416415092 /nfs/dbraw/zinc/41/50/92/416415092.db2.gz XGHFGAHTJLEENS-RYUDHWBXSA-N 0 0 300.399 0.849 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000360285920 416384158 /nfs/dbraw/zinc/38/41/58/416384158.db2.gz VKCNCRUQKCXBRV-GHMZBOCLSA-N 0 0 312.382 0.913 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360575201 416397209 /nfs/dbraw/zinc/39/72/09/416397209.db2.gz WBRNPKMCYOSAJS-WCQYABFASA-N 0 0 307.350 0.350 10 0 DCAERN COc1c(NC(=O)C(=O)N(C)CC2CC2)cccc1C(N)=O ZINC000360576094 416397316 /nfs/dbraw/zinc/39/73/16/416397316.db2.gz INPIBIHTINMRPL-UHFFFAOYSA-N 0 0 305.334 0.601 10 0 DCAERN CC[C@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)OC ZINC000360585038 416397920 /nfs/dbraw/zinc/39/79/20/416397920.db2.gz SQQFEODGXJEMCV-GFCCVEGCSA-N 0 0 321.443 0.382 10 0 DCAERN CCCCN(C)C(=O)C[S@](=O)CC(=O)N(C)CC1CC1 ZINC000360683722 416403790 /nfs/dbraw/zinc/40/37/90/416403790.db2.gz QUADFAJKKNBKQI-FQEVSTJZSA-N 0 0 302.440 0.862 10 0 DCAERN COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)Cn1nc(C)cc1C ZINC000360741165 416406674 /nfs/dbraw/zinc/40/66/74/416406674.db2.gz RGDJQPVDDHTIKQ-CHWSQXEVSA-N 0 0 309.366 0.679 10 0 DCAERN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)Cn1nc(C)cc1C ZINC000360741169 416406695 /nfs/dbraw/zinc/40/66/95/416406695.db2.gz RGDJQPVDDHTIKQ-QWHCGFSZSA-N 0 0 309.366 0.679 10 0 DCAERN CC[C@@H](CNC(=O)N1CCN(C(C)(C)C(=O)OC)CC1)OC ZINC000360753195 416408005 /nfs/dbraw/zinc/40/80/05/416408005.db2.gz XOEDXMNRTZJFHW-LBPRGKRZSA-N 0 0 315.414 0.690 10 0 DCAERN CCOCCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360799565 416411148 /nfs/dbraw/zinc/41/11/48/416411148.db2.gz SZMITJJEJPWJPJ-LBPRGKRZSA-N 0 0 318.439 0.733 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@H]2CCOC[C@@H]2OC)n1 ZINC000458499941 416474022 /nfs/dbraw/zinc/47/40/22/416474022.db2.gz CEXCJEAOBCBKQQ-OCCSQVGLSA-N 0 0 323.393 0.983 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(C)C)c1 ZINC000434400520 416474745 /nfs/dbraw/zinc/47/47/45/416474745.db2.gz VWFNNOJBESKNMX-UHFFFAOYSA-N 0 0 313.379 0.448 10 0 DCAERN C[C@@H](c1nnnn1C1CC1)N1CCN(Cc2nccn2C)CC1 ZINC000583599904 416475775 /nfs/dbraw/zinc/47/57/75/416475775.db2.gz MNSFOIRWZVQBFB-LBPRGKRZSA-N 0 0 316.413 0.620 10 0 DCAERN CN1C(=O)C[C@@H](NS(=O)(=O)c2ccco2)[C@@H]1c1cccnc1 ZINC000583616563 416478336 /nfs/dbraw/zinc/47/83/36/416478336.db2.gz LTVCPHZFRRTVNI-RISCZKNCSA-N 0 0 321.358 0.925 10 0 DCAERN CN1C[C@@H](NC(=O)c2cncnc2N)CC[C@@H]1C(F)(F)F ZINC000583620079 416479856 /nfs/dbraw/zinc/47/98/56/416479856.db2.gz UXDYNAHTFYWVIU-IONNQARKSA-N 0 0 303.288 0.814 10 0 DCAERN CN1C[C@@H](NC(=O)CN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000583620108 416479875 /nfs/dbraw/zinc/47/98/75/416479875.db2.gz ZERFRDUMMPLOIQ-VHSXEESVSA-N 0 0 307.316 0.750 10 0 DCAERN COCCC1(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)CCCC1 ZINC000583619120 416481023 /nfs/dbraw/zinc/48/10/23/416481023.db2.gz LLWKUSSRDMRFKL-OAHLLOKOSA-N 0 0 308.382 0.822 10 0 DCAERN Cc1cc(CN(C)C(=O)C(=O)Nc2ccn(C(C)C)n2)no1 ZINC000361737640 416487236 /nfs/dbraw/zinc/48/72/36/416487236.db2.gz ORNUGKXIVOLIIJ-UHFFFAOYSA-N 0 0 305.338 1.358 10 0 DCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000458682567 416489575 /nfs/dbraw/zinc/48/95/75/416489575.db2.gz CSFKDSALXSCXOE-OUAUKWLOSA-N 0 0 307.416 0.181 10 0 DCAERN CC[C@H](CCO)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361456906 416438847 /nfs/dbraw/zinc/43/88/47/416438847.db2.gz KENKBRMOAWWHMM-CYBMUJFWSA-N 0 0 322.409 0.878 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1Cl ZINC000535707310 416523973 /nfs/dbraw/zinc/52/39/73/416523973.db2.gz JARPCXOIEQBPFW-VIFPVBQESA-N 0 0 324.768 0.856 10 0 DCAERN CCN(C[C@@H](C)OC)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000361939188 416527639 /nfs/dbraw/zinc/52/76/39/416527639.db2.gz NEBMURXHYDBFFN-SNVBAGLBSA-N 0 0 311.386 0.855 10 0 DCAERN COCCOC1CN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000361939288 416528012 /nfs/dbraw/zinc/52/80/12/416528012.db2.gz WLHCXTXPXYWIDN-UHFFFAOYSA-N 0 0 324.381 0.356 10 0 DCAERN CN1CCOC[C@H]1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000536109835 416537234 /nfs/dbraw/zinc/53/72/34/416537234.db2.gz FRYMCMOCGVIBPC-HNNXBMFYSA-N 0 0 305.378 0.792 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2cccc3c2OCO3)C1 ZINC000534250272 416495968 /nfs/dbraw/zinc/49/59/68/416495968.db2.gz KDNZXLVUHMBTQN-JTQLQIEISA-N 0 0 306.322 0.368 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000584163740 416503470 /nfs/dbraw/zinc/50/34/70/416503470.db2.gz DRRSVLBSECKISB-MROQNXINSA-N 0 0 314.357 0.209 10 0 DCAERN COC[C@H]1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000361826210 416505203 /nfs/dbraw/zinc/50/52/03/416505203.db2.gz TZGSUWNRTNPBEK-NSHDSACASA-N 0 0 308.382 0.977 10 0 DCAERN C[C@@H](CO)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434944926 416505395 /nfs/dbraw/zinc/50/53/95/416505395.db2.gz ZSXXRHQWEZLSJM-DTWKUNHWSA-N 0 0 311.407 0.951 10 0 DCAERN CNC(=O)[C@@H](Nc1ccc(C(=O)NC2CCCC2)nn1)C(C)C ZINC000434959431 416507192 /nfs/dbraw/zinc/50/71/92/416507192.db2.gz LOPHNLKLXBDOLH-AWEZNQCLSA-N 0 0 319.409 1.332 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000361894157 416517892 /nfs/dbraw/zinc/51/78/92/416517892.db2.gz UIBCTIAHIVWQMW-SNVBAGLBSA-N 0 0 316.365 0.979 10 0 DCAERN CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2=CCCCO2)C1 ZINC000364657681 416591479 /nfs/dbraw/zinc/59/14/79/416591479.db2.gz JFSXDGCNEUGTBU-GFCCVEGCSA-N 0 0 317.393 0.786 10 0 DCAERN Cc1c(C(=O)NC[C@H]2C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439045827 416605796 /nfs/dbraw/zinc/60/57/96/416605796.db2.gz YRBLHKWARWCDNP-PSASIEDQSA-N 0 0 316.361 0.326 10 0 DCAERN C[C@H](Cc1ccncc1)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000541809309 416612423 /nfs/dbraw/zinc/61/24/23/416612423.db2.gz BPMAZSAZHKSZJT-UKRRQHHQSA-N 0 0 304.394 0.739 10 0 DCAERN c1cn2c(n1)C[C@@H](Nc1ccnc(N3CCOCC3)n1)CC2 ZINC000489948917 416567034 /nfs/dbraw/zinc/56/70/34/416567034.db2.gz SVCNLDICBUTSEI-LBPRGKRZSA-N 0 0 300.366 0.937 10 0 DCAERN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366134661 416619033 /nfs/dbraw/zinc/61/90/33/416619033.db2.gz ZRQXLDNECALFFY-IAQYHMDHSA-N 0 0 311.382 0.638 10 0 DCAERN CCc1nc(C)c(NC(=O)NCCS(=O)(=O)NC)s1 ZINC000439700872 416621798 /nfs/dbraw/zinc/62/17/98/416621798.db2.gz ZJKUVWVSKVDWKY-UHFFFAOYSA-N 0 0 306.413 0.685 10 0 DCAERN Cc1ccc(F)cc1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000542674471 416627735 /nfs/dbraw/zinc/62/77/35/416627735.db2.gz WYILDAZMAVAOSD-ZDUSSCGKSA-N 0 0 306.337 0.860 10 0 DCAERN CN(C)[C@]1(C(=O)NCc2cnnn2C)CCOc2ccccc21 ZINC000366475063 416629489 /nfs/dbraw/zinc/62/94/89/416629489.db2.gz PICMIDGEWWUNJT-MRXNPFEDSA-N 0 0 315.377 0.671 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1C[C@H](F)C[C@@H]1CO ZINC000366675832 416635701 /nfs/dbraw/zinc/63/57/01/416635701.db2.gz CNLPNQXIODTEPL-KKOKHZNYSA-N 0 0 312.341 0.093 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000441128989 416660950 /nfs/dbraw/zinc/66/09/50/416660950.db2.gz FPIVTGOWTGGQCZ-LADRHHBVSA-N 0 0 316.427 0.001 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000443273473 416747212 /nfs/dbraw/zinc/74/72/12/416747212.db2.gz OKOIQXKWILWOLK-UHFFFAOYSA-N 0 0 319.361 0.358 10 0 DCAERN CCNC(=O)N1CC[C@H](Nc2cnc(C(=O)OCC)cn2)C1 ZINC000548286777 416686686 /nfs/dbraw/zinc/68/66/86/416686686.db2.gz LEVCZRDFXRTGKB-JTQLQIEISA-N 0 0 307.354 0.869 10 0 DCAERN CC(C)N(CCOCCO)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000549233822 416693114 /nfs/dbraw/zinc/69/31/14/416693114.db2.gz AWSAURLSLYRDJV-UHFFFAOYSA-N 0 0 313.402 1.284 10 0 DCAERN COC(=O)c1cc(NC(=O)N2CCN3CCOC[C@H]3C2)cn1C ZINC000368809193 416695697 /nfs/dbraw/zinc/69/56/97/416695697.db2.gz HGCFGVIQXTXSIZ-GFCCVEGCSA-N 0 0 322.365 0.360 10 0 DCAERN Cn1[nH]cnc1=NC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000515541649 416702386 /nfs/dbraw/zinc/70/23/86/416702386.db2.gz NMVZWLMTFGDAAU-CYBMUJFWSA-N 0 0 317.349 0.549 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000516900921 416754281 /nfs/dbraw/zinc/75/42/81/416754281.db2.gz NTZLXYUUROCATK-LBPRGKRZSA-N 0 0 319.427 0.136 10 0 DCAERN Cc1nnc2c(NC[C@@H]3CCC4(CCOCC4)[C@H]3O)nccn12 ZINC000556969370 416722041 /nfs/dbraw/zinc/72/20/41/416722041.db2.gz DNADOQXNYBMOPQ-STQMWFEESA-N 0 0 317.393 1.412 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O ZINC000516616075 416729034 /nfs/dbraw/zinc/72/90/34/416729034.db2.gz HUEHACJSFQZQTE-VUDBWIFFSA-N 0 0 300.380 0.698 10 0 DCAERN CCc1nc(C(C)(C)NS(=O)(=O)CCCC(=O)OC)no1 ZINC000443155137 416733768 /nfs/dbraw/zinc/73/37/68/416733768.db2.gz KNSFGQLFBUREMP-UHFFFAOYSA-N 0 0 319.383 0.740 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000558595053 416779591 /nfs/dbraw/zinc/77/95/91/416779591.db2.gz HSGDZLJAJQYFKQ-JQWIXIFHSA-N 0 0 315.395 0.271 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cccnc1 ZINC000623364868 416811853 /nfs/dbraw/zinc/81/18/53/416811853.db2.gz XTBOIMNQXBNGNK-UHFFFAOYSA-N 0 0 320.393 0.507 10 0 DCAERN CCO[C@@H]1C[C@@](NCC(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444748737 416863186 /nfs/dbraw/zinc/86/31/86/416863186.db2.gz RNTSKSSSMSQHOV-IAQYHMDHSA-N 0 0 300.399 0.801 10 0 DCAERN CCO[C@@H]1C[C@@](NCCCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000444765122 416869142 /nfs/dbraw/zinc/86/91/42/416869142.db2.gz YHNFPCGYNJFZQF-BXUZGUMPSA-N 0 0 321.439 0.758 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278756 416827027 /nfs/dbraw/zinc/82/70/27/416827027.db2.gz UVJLBXLNFSMHPR-MFKMUULPSA-N 0 0 323.411 0.299 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCc1nnc2n1CCC2)C1CCCC1 ZINC000517976282 416833912 /nfs/dbraw/zinc/83/39/12/416833912.db2.gz IUFYZRXBCLXHKK-OAHLLOKOSA-N 0 0 319.409 0.578 10 0 DCAERN COCCNC(=O)CNC(=O)c1cc(OC)c(OC)cc1C ZINC000445772702 416898632 /nfs/dbraw/zinc/89/86/32/416898632.db2.gz IOXQSKAUPOTJEM-UHFFFAOYSA-N 0 0 310.350 0.505 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000445873867 416900829 /nfs/dbraw/zinc/90/08/29/416900829.db2.gz DDRSKZWWCOWEEI-QUCGXOGASA-N 0 0 309.347 0.725 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)s2)[C@H](C)C1 ZINC000632107400 416908442 /nfs/dbraw/zinc/90/84/42/416908442.db2.gz WVPZMPPFOMGAFM-SSDOTTSWSA-N 0 0 305.381 0.090 10 0 DCAERN C[C@@H]1C[C@H](CCNC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)CCO1 ZINC000623879905 416910967 /nfs/dbraw/zinc/91/09/67/416910967.db2.gz RXPISWRDGQEMHW-YVECIDJPSA-N 0 0 313.398 0.476 10 0 DCAERN Cn1cc([C@@H](NC(=O)N[C@@H]2CNC(=O)C2)C(F)(F)F)cn1 ZINC000446473851 416929144 /nfs/dbraw/zinc/92/91/44/416929144.db2.gz OSOJJSUFKQREGI-IONNQARKSA-N 0 0 305.260 0.211 10 0 DCAERN COCC[C@@H]1COCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000565195849 416939809 /nfs/dbraw/zinc/93/98/09/416939809.db2.gz NXEYSIQPLGLEBP-LLVKDONJSA-N 0 0 307.350 0.937 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCCn2cncn2)c1 ZINC000447127347 416967319 /nfs/dbraw/zinc/96/73/19/416967319.db2.gz CLHZAVBEBOHGPX-UHFFFAOYSA-N 0 0 307.285 0.181 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC000522936436 417069659 /nfs/dbraw/zinc/06/96/59/417069659.db2.gz CESGQPQADTWAGQ-NSHDSACASA-N 0 0 317.349 0.609 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C3CCSCC3)CC2)[nH]1 ZINC000522922600 417071867 /nfs/dbraw/zinc/07/18/67/417071867.db2.gz ZAIVADFBSDQGON-UHFFFAOYSA-N 0 0 309.439 0.901 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@@H]21 ZINC000378036588 417073283 /nfs/dbraw/zinc/07/32/83/417073283.db2.gz FSBGKXOEOGENJV-DZGCQCFKSA-N 0 0 314.341 0.948 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2CNCCN2S(N)(=O)=O)c1 ZINC000616600338 417084463 /nfs/dbraw/zinc/08/44/63/417084463.db2.gz FHFSRUYLEDXRNG-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN CCOC(=O)[C@@H]1CN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616648040 417087014 /nfs/dbraw/zinc/08/70/14/417087014.db2.gz KVPJOCHDSZLQGE-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1COCCCN1S(C)(=O)=O ZINC000616646829 417087344 /nfs/dbraw/zinc/08/73/44/417087344.db2.gz BJWONVOXDNMXFY-NSHDSACASA-N 0 0 322.427 0.952 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616629495 417087875 /nfs/dbraw/zinc/08/78/75/417087875.db2.gz MGIOJFNDBVXHII-JTQLQIEISA-N 0 0 307.416 0.817 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](S(C)(=O)=O)C1 ZINC000616664464 417091204 /nfs/dbraw/zinc/09/12/04/417091204.db2.gz UGUGBZQHRJNUPI-NSHDSACASA-N 0 0 322.427 0.257 10 0 DCAERN COC(=O)[C@@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616657236 417091427 /nfs/dbraw/zinc/09/14/27/417091427.db2.gz SSFDDEDBWJKVOD-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN O=C(Cc1n[nH]c2ccccc21)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616770101 417108399 /nfs/dbraw/zinc/10/83/99/417108399.db2.gz UOSFXUUNRYQFCZ-SQWLQELKSA-N 0 0 311.345 0.793 10 0 DCAERN CCOC(=O)c1csc(N[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000400178119 417111002 /nfs/dbraw/zinc/11/10/02/417111002.db2.gz NVJVHAKFPSMNHB-MRVPVSSYSA-N 0 0 319.408 0.766 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCC2CC2)C1 ZINC000524565869 417112642 /nfs/dbraw/zinc/11/26/42/417112642.db2.gz GFRWETDSZDYPTL-GFCCVEGCSA-N 0 0 303.428 0.900 10 0 DCAERN CN1CCO[C@@H](CS(=O)(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000632476132 417116405 /nfs/dbraw/zinc/11/64/05/417116405.db2.gz TWRYJJJVTYVDLH-CHWSQXEVSA-N 0 0 318.439 0.026 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1ccc(F)cc1F ZINC000404151347 417117015 /nfs/dbraw/zinc/11/70/15/417117015.db2.gz NOPFIVJRJKGCJJ-GFCCVEGCSA-N 0 0 307.318 0.785 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)NCC[C@]1(O)CCOC1 ZINC000404200676 417117833 /nfs/dbraw/zinc/11/78/33/417117833.db2.gz MABUAIVGQZDVKW-ZDUSSCGKSA-N 0 0 303.355 0.787 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1 ZINC000624810272 417120547 /nfs/dbraw/zinc/12/05/47/417120547.db2.gz BRZSVFBSOKBWRH-LBPRGKRZSA-N 0 0 304.412 0.438 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)c1nscc1Br ZINC000404820254 417122171 /nfs/dbraw/zinc/12/21/71/417122171.db2.gz MLAYLUULUXQLPF-LURJTMIESA-N 0 0 304.169 0.914 10 0 DCAERN CC1CCC(S(=O)(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000407308790 417127711 /nfs/dbraw/zinc/12/77/11/417127711.db2.gz MTPJWFZNWPLVRS-HWACXVBKSA-N 0 0 300.380 0.099 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C)C[C@@H]1C ZINC000408111820 417139223 /nfs/dbraw/zinc/13/92/23/417139223.db2.gz GBVZDQXNRIWXAK-VIFPVBQESA-N 0 0 304.350 0.611 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000408439939 417161522 /nfs/dbraw/zinc/16/15/22/417161522.db2.gz WSDAGQXDBOMFJC-QWHCGFSZSA-N 0 0 323.418 0.781 10 0 DCAERN CO[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC[C@@H]1C ZINC000408255434 417150971 /nfs/dbraw/zinc/15/09/71/417150971.db2.gz HVNNJMILUGYVRR-IETSOEAISA-N 0 0 323.393 0.590 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000408292012 417154120 /nfs/dbraw/zinc/15/41/20/417154120.db2.gz BCYBLMODZXZQDI-QNGPIJNLSA-N 0 0 323.393 0.469 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000526022788 417175861 /nfs/dbraw/zinc/17/58/61/417175861.db2.gz XSHRLNOMEUKGQU-NSHDSACASA-N 0 0 321.343 0.855 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2nccc(N(C)C)n2)[C@H](C)C1 ZINC000432435462 417179682 /nfs/dbraw/zinc/17/96/82/417179682.db2.gz QWXNRRUGFAGRDL-SNVBAGLBSA-N 0 0 306.370 0.627 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628859 417201024 /nfs/dbraw/zinc/20/10/24/417201024.db2.gz BEMXNUKUOUFYDU-LBPRGKRZSA-N 0 0 302.371 0.777 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632671007 417221743 /nfs/dbraw/zinc/22/17/43/417221743.db2.gz FMBJRCRWYVNCOS-DTWKUNHWSA-N 0 0 304.334 0.676 10 0 DCAERN O=C1CC(c2ccc(NS(=O)(=O)N3CCC3)cc2)CC(=O)N1 ZINC000569196789 417225270 /nfs/dbraw/zinc/22/52/70/417225270.db2.gz ATDKSRRCEZVVOZ-UHFFFAOYSA-N 0 0 323.374 0.569 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccn(C3CCOCC3)n2)C1 ZINC000621479962 417283690 /nfs/dbraw/zinc/28/36/90/417283690.db2.gz KGZMDYFLEJRKAK-GFCCVEGCSA-N 0 0 321.381 0.977 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267975 417234002 /nfs/dbraw/zinc/23/40/02/417234002.db2.gz QXBGSDFGFTUDDH-ZIAGYGMSSA-N 0 0 324.425 0.160 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccsc1Br ZINC000450552535 417236067 /nfs/dbraw/zinc/23/60/67/417236067.db2.gz HUBIOVODFSMCHJ-SSDOTTSWSA-N 0 0 319.180 0.837 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2nccn3c(C)nnc23)CC12COC2 ZINC000450574334 417239470 /nfs/dbraw/zinc/23/94/70/417239470.db2.gz ZZQQCHVMHZOXLG-NSHDSACASA-N 0 0 317.349 0.449 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000451503697 417353816 /nfs/dbraw/zinc/35/38/16/417353816.db2.gz RDJIGAPOJBKJLB-CHWSQXEVSA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2ccc(OC)nn2)CC12COC2 ZINC000451130941 417300709 /nfs/dbraw/zinc/30/07/09/417300709.db2.gz GHFVEHHEGSJWHU-GFCCVEGCSA-N 0 0 307.350 0.497 10 0 DCAERN CCN(C)C(=O)[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(C)C ZINC000451733027 417387190 /nfs/dbraw/zinc/38/71/90/417387190.db2.gz HWDXIXJBOONGFC-NEPJUHHUSA-N 0 0 305.444 0.808 10 0 DCAERN CC(=O)NC1CCC(NC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000570914997 417404931 /nfs/dbraw/zinc/40/49/31/417404931.db2.gz NGJUHRMYSFACAJ-YMAMQOFZSA-N 0 0 324.425 0.160 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451889351 417409857 /nfs/dbraw/zinc/40/98/57/417409857.db2.gz MCEZPJYLLCLXGG-UPJWGTAASA-N 0 0 305.444 0.102 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000633360572 417415182 /nfs/dbraw/zinc/41/51/82/417415182.db2.gz UWCQMDUXFUOLFF-AVGNSLFASA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1nc2ccccc2c(=O)[nH]1 ZINC000633135954 417376459 /nfs/dbraw/zinc/37/64/59/417376459.db2.gz DNQGPJAMTMHERD-ZDUSSCGKSA-N 0 0 314.345 0.963 10 0 DCAERN CC1(C)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@@H]1c1ccco1 ZINC000633792312 417487278 /nfs/dbraw/zinc/48/72/78/417487278.db2.gz BXTJCMFICZVPAA-HBJVGIJOSA-N 0 0 307.346 0.602 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@](C)(O)C2CCC2)CC12COC2 ZINC000452613206 417493633 /nfs/dbraw/zinc/49/36/33/417493633.db2.gz MRNSZAVNVUGBET-SWLSCSKDSA-N 0 0 311.378 0.576 10 0 DCAERN O=C(Cn1cnc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000574944526 417495997 /nfs/dbraw/zinc/49/59/97/417495997.db2.gz SJPHILPFXRCPEQ-ZDUSSCGKSA-N 0 0 300.362 0.579 10 0 DCAERN Cc1noc(COC2CN(C(=O)C[C@H]3CCCC(=O)N3)C2)n1 ZINC000644204252 417497097 /nfs/dbraw/zinc/49/70/97/417497097.db2.gz KXIWXCAZTTVDNC-SNVBAGLBSA-N 0 0 308.338 0.164 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2CC(OCC)C2)CC12COC2 ZINC000452218314 417460119 /nfs/dbraw/zinc/46/01/19/417460119.db2.gz GBGJPBHZNNMNCI-BPCQOVAHSA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCOC3)CC12COC2 ZINC000452264970 417462434 /nfs/dbraw/zinc/46/24/34/417462434.db2.gz PIVQYQWFGHBFQB-SLEUVZQESA-N 0 0 309.362 0.451 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)CC(=O)OC)CC12COC2 ZINC000452251797 417462528 /nfs/dbraw/zinc/46/25/28/417462528.db2.gz CZZYNCLSIYRFHA-MNOVXSKESA-N 0 0 313.350 0.224 10 0 DCAERN CC[C@H](C)[C@@H](CNC(=O)[C@@](C)(O)Cn1ccccc1=O)OC ZINC000452429420 417483611 /nfs/dbraw/zinc/48/36/11/417483611.db2.gz WLZMIZAZZDGRTH-ZENOOKHLSA-N 0 0 310.394 0.777 10 0 DCAERN CCN1C[C@H](NC(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1=O ZINC000453933526 417537008 /nfs/dbraw/zinc/53/70/08/417537008.db2.gz PQZBKHGTDXYSJR-SNVBAGLBSA-N 0 0 321.381 0.219 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000627969600 417543411 /nfs/dbraw/zinc/54/34/11/417543411.db2.gz SLGHLWNZVOTOMY-KOLCDFICSA-N 0 0 313.398 0.090 10 0 DCAERN CC[C@@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)C(=O)NC ZINC000454079719 417546078 /nfs/dbraw/zinc/54/60/78/417546078.db2.gz DHEQIQAUHYFBFB-LLVKDONJSA-N 0 0 319.361 0.591 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(c2c[nH]cn2)CC1 ZINC000644381754 417555867 /nfs/dbraw/zinc/55/58/67/417555867.db2.gz APRZREPWPOKRED-AWEZNQCLSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H](F)C1 ZINC000628012282 417557220 /nfs/dbraw/zinc/55/72/20/417557220.db2.gz GIZPNCLHAAQKGN-NSHDSACASA-N 0 0 315.389 0.756 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC[C@@H](O)C[C@H]3C)c(=O)n2c1 ZINC000633869267 417500556 /nfs/dbraw/zinc/50/05/56/417500556.db2.gz SYRZJOCLOAWBKC-VXGBXAGGSA-N 0 0 301.346 0.988 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(C)c1 ZINC000633876299 417504475 /nfs/dbraw/zinc/50/44/75/417504475.db2.gz LKWWXBCCUNRWKK-HZPDHXFCSA-N 0 0 317.345 0.353 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000623002776 417523344 /nfs/dbraw/zinc/52/33/44/417523344.db2.gz ATLHPHYOIFZKFU-CQSZACIVSA-N 0 0 322.386 0.251 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1c1cn[nH]n1 ZINC000623031502 417528822 /nfs/dbraw/zinc/52/88/22/417528822.db2.gz KMRLDTAXHMQVQG-SMDDNHRTSA-N 0 0 312.333 0.936 10 0 DCAERN O=C(NCCOCC1CCC1)NCc1nnnn1CC1CC1 ZINC000576085174 417578037 /nfs/dbraw/zinc/57/80/37/417578037.db2.gz FNSGOSWSQWOTMQ-UHFFFAOYSA-N 0 0 308.386 0.699 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000454823558 417582169 /nfs/dbraw/zinc/58/21/69/417582169.db2.gz JBFYSOWISSWXQA-SRVKXCTJSA-N 0 0 300.403 0.855 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Cn2cc(C)c(C(F)(F)F)n2)C1 ZINC000628195697 417589146 /nfs/dbraw/zinc/58/91/46/417589146.db2.gz IWNGUAGGLJQDCG-SNVBAGLBSA-N 0 0 318.299 0.947 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccnc(C)n2)CC12COC2 ZINC000455155358 417593706 /nfs/dbraw/zinc/59/37/06/417593706.db2.gz ZYPRRVLFHDWFEQ-NSHDSACASA-N 0 0 320.349 0.828 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC(CF)CF)CC12COC2 ZINC000455179546 417596990 /nfs/dbraw/zinc/59/69/90/417596990.db2.gz LBWHNRWBSPIRBN-SNVBAGLBSA-N 0 0 306.309 0.515 10 0 DCAERN Cn1cnc(NC(=O)NCC[C@H]2COc3ccccc3O2)n1 ZINC000455588568 417610924 /nfs/dbraw/zinc/61/09/24/417610924.db2.gz UPLBHDQVJKAIOH-JTQLQIEISA-N 0 0 303.322 1.167 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1CCN(c2nccnn2)CC1 ZINC000628380299 417611870 /nfs/dbraw/zinc/61/18/70/417611870.db2.gz KVLXLHFGFKEQGH-UHFFFAOYSA-N 0 0 305.382 0.916 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1CCC(=O)NC1 ZINC000439965600 287392061 /nfs/dbraw/zinc/39/20/61/287392061.db2.gz GXNIHHGUZNTNGD-NSHDSACASA-N 0 0 302.334 0.823 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NCC[C@H](O)C(F)F)c1 ZINC000635269146 417623901 /nfs/dbraw/zinc/62/39/01/417623901.db2.gz HWTGZGNPQOEBBN-NSHDSACASA-N 0 0 314.288 0.960 10 0 DCAERN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)[C@H](C)O ZINC000456189260 417630929 /nfs/dbraw/zinc/63/09/29/417630929.db2.gz KDWKQUDGEIBDPB-JOYOIKCWSA-N 0 0 300.380 0.484 10 0 DCAERN Cc1ccc(C[C@@H](CO)NC(=O)CN2CCOCC2=O)cc1C ZINC000457241871 417697081 /nfs/dbraw/zinc/69/70/81/417697081.db2.gz FDPCYZWYGRNLQP-HNNXBMFYSA-N 0 0 320.389 0.182 10 0 DCAERN CCS(=O)(=O)C1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000456306590 417642811 /nfs/dbraw/zinc/64/28/11/417642811.db2.gz NLGLDVBOLKVWCE-NSHDSACASA-N 0 0 324.402 0.450 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000531886005 417645796 /nfs/dbraw/zinc/64/57/96/417645796.db2.gz LLXDSVUGLQRODH-ZDUSSCGKSA-N 0 0 324.425 0.745 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC(S(C)(=O)=O)C1 ZINC000456959821 417672085 /nfs/dbraw/zinc/67/20/85/417672085.db2.gz WQXJTWLNCZCZOA-JTQLQIEISA-N 0 0 310.375 0.060 10 0 DCAERN Cn1nnc2cc(C(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cnc21 ZINC000580501702 417705556 /nfs/dbraw/zinc/70/55/56/417705556.db2.gz NKSRJTLIGBCNHF-NSHDSACASA-N 0 0 313.321 1.190 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(C)o1 ZINC000580686211 417721955 /nfs/dbraw/zinc/72/19/55/417721955.db2.gz NVTIUDDYLZNXEF-QWRGUYRKSA-N 0 0 310.350 0.703 10 0 DCAERN CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458130017 417723522 /nfs/dbraw/zinc/72/35/22/417723522.db2.gz FNVZHCRKZANBSE-YPMHNXCESA-N 0 0 322.340 0.752 10 0 DCAERN Cc1ccc2c(c1)CC[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)O2 ZINC000458127059 417724212 /nfs/dbraw/zinc/72/42/12/417724212.db2.gz CTMGKMUMAYPCJE-ZFWWWQNUSA-N 0 0 316.361 0.457 10 0 DCAERN O=C1CN(C[C@H](O)CC2(O)CCOCC2)[C@H]2CCCC[C@@H]2N1 ZINC000630037260 417804944 /nfs/dbraw/zinc/80/49/44/417804944.db2.gz JJJXVISGDMNZTG-RDBSUJKOSA-N 0 0 312.410 0.022 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1 ZINC000631693863 417920250 /nfs/dbraw/zinc/92/02/50/417920250.db2.gz XFBOKRPXCYWQKJ-LLVKDONJSA-N 0 0 310.366 0.916 10 0 DCAERN CCOc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2OC)nc(C)n1 ZINC000664273026 418108633 /nfs/dbraw/zinc/10/86/33/418108633.db2.gz PRTQEXSZMFQDIU-UWVGGRQHSA-N 0 0 301.368 0.408 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)nc1 ZINC000487090758 287531525 /nfs/dbraw/zinc/53/15/25/287531525.db2.gz DOOKDKLYQBDXCV-ZJUUUORDSA-N 0 0 323.349 0.276 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccoc1 ZINC000487137570 287533071 /nfs/dbraw/zinc/53/30/71/287533071.db2.gz LTUGTCFVNQKDCN-WDEREUQCSA-N 0 0 310.350 0.785 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cccc(Br)n1 ZINC000202064052 545935774 /nfs/dbraw/zinc/93/57/74/545935774.db2.gz PUUPGIITWOKFQP-VIFPVBQESA-N 0 0 300.156 0.530 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC)SC ZINC000488142673 287546375 /nfs/dbraw/zinc/54/63/75/287546375.db2.gz CNIKVIXPYNGDTQ-LPEHRKFASA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)[nH]c(=O)c1 ZINC000488156691 287546774 /nfs/dbraw/zinc/54/67/74/287546774.db2.gz BIOOXLLDVUBZIE-VHSXEESVSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000488292430 287548449 /nfs/dbraw/zinc/54/84/49/287548449.db2.gz IRHORBPSBOYCIN-WDEREUQCSA-N 0 0 324.381 0.650 10 0 DCAERN O=c1[nH]c(NC[C@@H](O)CN2CCOCC2)nc2ccccc21 ZINC000299614147 229262577 /nfs/dbraw/zinc/26/25/77/229262577.db2.gz NIRWABMPZMJBIO-LLVKDONJSA-N 0 0 304.350 0.440 10 0 DCAERN NC(=O)[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1C(F)(F)F ZINC000299741316 229376727 /nfs/dbraw/zinc/37/67/27/229376727.db2.gz DRDVNSOUJBXREG-NXEZZACHSA-N 0 0 307.316 0.498 10 0 DCAERN Cn1cc(CN2C[C@H](F)C[C@H]2C(N)=O)c(-c2ccncc2)n1 ZINC000299741474 229378236 /nfs/dbraw/zinc/37/82/36/229378236.db2.gz FCVOIIACCTXNEP-OLZOCXBDSA-N 0 0 303.341 0.880 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744838 229383526 /nfs/dbraw/zinc/38/35/26/229383526.db2.gz QEEPAAFQIHUJBW-IINYFYTJSA-N 0 0 307.354 0.110 10 0 DCAERN NS(=O)(=O)c1cccnc1NCc1ccnc2ccnn21 ZINC000302078140 230083086 /nfs/dbraw/zinc/08/30/86/230083086.db2.gz XAKJEWSKRWOLMY-UHFFFAOYSA-N 0 0 304.335 0.384 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000182005408 261114782 /nfs/dbraw/zinc/11/47/82/261114782.db2.gz OPXUUKQDPVPDPW-XYBNCVKDSA-N 0 0 314.345 0.925 10 0 DCAERN CCC1(CC)CN(CCCNS(=O)(=O)CC)CC[S@@]1=O ZINC000185223788 261119348 /nfs/dbraw/zinc/11/93/48/261119348.db2.gz RAFNHFVSUZONJB-IBGZPJMESA-N 0 0 324.512 0.939 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1ncnn1C ZINC000184727790 261119692 /nfs/dbraw/zinc/11/96/92/261119692.db2.gz JOYICFSAQJOOMN-CQSZACIVSA-N 0 0 303.341 0.936 10 0 DCAERN CCOCCNC(=O)CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185226535 261119778 /nfs/dbraw/zinc/11/97/78/261119778.db2.gz SHIJHMIXDSIMQR-HXUWFJFHSA-N 0 0 304.456 0.762 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187878886 261124765 /nfs/dbraw/zinc/12/47/65/261124765.db2.gz LNDPJNVILJJTON-JQWIXIFHSA-N 0 0 310.350 0.969 10 0 DCAERN CCc1noc([C@H](C)N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189190222 261130292 /nfs/dbraw/zinc/13/02/92/261130292.db2.gz UDPBYXMGBVPLBH-MNOVXSKESA-N 0 0 320.401 0.595 10 0 DCAERN COc1ccc(CNC(=O)CN2C[C@@H](C)O[C@@H](CO)C2)cc1 ZINC000190133584 261134122 /nfs/dbraw/zinc/13/41/22/261134122.db2.gz FEHWWDABQMKFKE-IUODEOHRSA-N 0 0 308.378 0.393 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000191491101 261137468 /nfs/dbraw/zinc/13/74/68/261137468.db2.gz HRJZWRSIAARDIY-UHFFFAOYSA-N 0 0 320.740 0.276 10 0 DCAERN Cn1nnc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008510 261140380 /nfs/dbraw/zinc/14/03/80/261140380.db2.gz ILKIHBHCHOWMKP-SRVKXCTJSA-N 0 0 322.413 0.945 10 0 DCAERN Cc1nc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)sc1C ZINC000193002532 261141029 /nfs/dbraw/zinc/14/10/29/261141029.db2.gz CKVVHSWXZYCECW-UWVGGRQHSA-N 0 0 324.406 0.859 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCCOC(F)F)c1 ZINC000193965768 261143931 /nfs/dbraw/zinc/14/39/31/261143931.db2.gz WETUEYBSRQDTOD-UHFFFAOYSA-N 0 0 308.306 0.693 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)NCCc1ccsc1 ZINC000194468034 261147000 /nfs/dbraw/zinc/14/70/00/261147000.db2.gz XWSKDJIGASPOKX-UHFFFAOYSA-N 0 0 319.452 0.918 10 0 DCAERN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000194831752 261148168 /nfs/dbraw/zinc/14/81/68/261148168.db2.gz QBFLCIPUVXKDEM-CYBMUJFWSA-N 0 0 304.346 0.714 10 0 DCAERN CC(C)NC(=O)Nc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000194803111 261148667 /nfs/dbraw/zinc/14/86/67/261148667.db2.gz RWUDBWUBLKZCPF-LBPRGKRZSA-N 0 0 318.377 0.969 10 0 DCAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CNC(=O)C1 ZINC000194818167 261148956 /nfs/dbraw/zinc/14/89/56/261148956.db2.gz CDMDVGZMBUUZKS-CQSZACIVSA-N 0 0 315.373 0.561 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@@H]1O ZINC000221277100 261151876 /nfs/dbraw/zinc/15/18/76/261151876.db2.gz YBORHRWUGGRVMB-JQWIXIFHSA-N 0 0 313.375 0.849 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3sccc3c2=O)C[C@@H]1O ZINC000221885842 261152034 /nfs/dbraw/zinc/15/20/34/261152034.db2.gz WQZZLTALJGGPPQ-KOLCDFICSA-N 0 0 307.375 0.687 10 0 DCAERN Cc1nc(C[C@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)no1 ZINC000195518188 261152717 /nfs/dbraw/zinc/15/27/17/261152717.db2.gz VTEKNFOWMDMRMI-LLVKDONJSA-N 0 0 307.354 0.184 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCn2ccnc2C1 ZINC000234563438 261155117 /nfs/dbraw/zinc/15/51/17/261155117.db2.gz SNODNBKQSNZXIS-MNOVXSKESA-N 0 0 313.379 0.370 10 0 DCAERN COC(=O)c1ccc(C(=O)NC[C@H](C)N2CCCCC2=O)nc1 ZINC000356974225 261489682 /nfs/dbraw/zinc/48/96/82/261489682.db2.gz GXTJHETZLDZVRS-NSHDSACASA-N 0 0 319.361 0.999 10 0 DCAERN NC(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000357012469 261494480 /nfs/dbraw/zinc/49/44/80/261494480.db2.gz ZESDPGQEYURDER-SECBINFHSA-N 0 0 314.292 0.842 10 0 DCAERN COc1cc(C)cc(CNC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)c1 ZINC000358162002 261642761 /nfs/dbraw/zinc/64/27/61/261642761.db2.gz RAFJNPQDDAEXTJ-TZMCWYRMSA-N 0 0 320.389 0.849 10 0 DCAERN O=C(CCn1cnc2sccc2c1=O)NC[C@@H](CO)C1CC1 ZINC000358358033 261661285 /nfs/dbraw/zinc/66/12/85/261661285.db2.gz SMILAIZCUMELRB-NSHDSACASA-N 0 0 321.402 0.983 10 0 DCAERN O=S(=O)(Cc1ncccn1)C[C@@H](O)COCc1ccccc1 ZINC000358704891 261696716 /nfs/dbraw/zinc/69/67/16/261696716.db2.gz FNZVURHVQANZLL-AWEZNQCLSA-N 0 0 322.386 0.969 10 0 DCAERN COC(=O)[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)C1CC1 ZINC000358827887 261703890 /nfs/dbraw/zinc/70/38/90/261703890.db2.gz ZJSYRBNMEFGWCK-AWEZNQCLSA-N 0 0 304.350 0.381 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2CC(=O)N(C)C2)c1OC ZINC000360489328 261837068 /nfs/dbraw/zinc/83/70/68/261837068.db2.gz GKIAPCAUFFNZBK-UHFFFAOYSA-N 0 0 321.377 0.394 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H](CO)O1 ZINC000360697667 261864046 /nfs/dbraw/zinc/86/40/46/261864046.db2.gz AUUUMQNSSWAFHK-ZWNOBZJWSA-N 0 0 304.350 0.854 10 0 DCAERN CSCC[C@@H](NC(=O)Cn1nc(C)cc1C)C(=O)N(C)C ZINC000360793116 261875965 /nfs/dbraw/zinc/87/59/65/261875965.db2.gz CXDWISXFLVXHDK-GFCCVEGCSA-N 0 0 312.439 0.826 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1cnnn1 ZINC000361683811 261949938 /nfs/dbraw/zinc/94/99/38/261949938.db2.gz WZFCVQUQDZSUAD-CYBMUJFWSA-N 0 0 300.322 0.612 10 0 DCAERN C[C@](O)(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000362176543 262006617 /nfs/dbraw/zinc/00/66/17/262006617.db2.gz GPUGINUNPWCAKK-GUYCJALGSA-N 0 0 324.421 0.635 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000362235715 262013114 /nfs/dbraw/zinc/01/31/14/262013114.db2.gz ILNJSMOWTKEGRB-MEBBXXQBSA-N 0 0 309.366 0.344 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2cncc(OC)n2)no1 ZINC000362319687 262022575 /nfs/dbraw/zinc/02/25/75/262022575.db2.gz YYPYXEBNHPSIQV-UHFFFAOYSA-N 0 0 320.305 0.925 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ncccc1C ZINC000362477781 262039657 /nfs/dbraw/zinc/03/96/57/262039657.db2.gz XUODQASBCTXZFS-WDEREUQCSA-N 0 0 322.365 0.968 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncncc1Cl ZINC000362667151 262057934 /nfs/dbraw/zinc/05/79/34/262057934.db2.gz REXFHXXKXNOSNW-YUMQZZPRSA-N 0 0 300.746 0.998 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000363359437 262112616 /nfs/dbraw/zinc/11/26/16/262112616.db2.gz TYHWHKLNNDXFSS-VXGBXAGGSA-N 0 0 320.397 0.703 10 0 DCAERN COC(=O)CCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000363849717 262134213 /nfs/dbraw/zinc/13/42/13/262134213.db2.gz VWFJIDILBKVHJX-UHFFFAOYSA-N 0 0 306.318 0.629 10 0 DCAERN CCN1CCc2nc(NC(=O)CN3CCOCC3=O)sc2C1 ZINC000363999970 262139350 /nfs/dbraw/zinc/13/93/50/262139350.db2.gz ZOVVOEZKJJOAAU-UHFFFAOYSA-N 0 0 324.406 0.318 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000367861334 262142808 /nfs/dbraw/zinc/14/28/08/262142808.db2.gz ACLVSAJWBNGNFO-GWCFXTLKSA-N 0 0 304.387 0.621 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)N(C)C1CCCCC1 ZINC000392903644 262161390 /nfs/dbraw/zinc/16/13/90/262161390.db2.gz VDJDINRFWMWLIH-PWSUYJOCSA-N 0 0 303.428 0.752 10 0 DCAERN CC(=O)c1ccccc1OCCN1CCn2c(CO)nnc2C1 ZINC000426472301 262553895 /nfs/dbraw/zinc/55/38/95/262553895.db2.gz OSUSDPOZGPROLQ-UHFFFAOYSA-N 0 0 316.361 0.868 10 0 DCAERN CC(C)C[C@H](C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000184690626 270953347 /nfs/dbraw/zinc/95/33/47/270953347.db2.gz MQJOZLLYSQLJQN-RYUDHWBXSA-N 0 0 318.439 0.430 10 0 DCAERN CN(C)c1noc(CNC(=O)N2CCSC[C@H]2CCO)n1 ZINC000359010452 271088861 /nfs/dbraw/zinc/08/88/61/271088861.db2.gz PJNNJGXOBOWBHD-SECBINFHSA-N 0 0 315.399 0.145 10 0 DCAERN O=C(NCCn1ccnc1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000359487331 271120038 /nfs/dbraw/zinc/12/00/38/271120038.db2.gz WQMWSFWZBIMEFS-LLVKDONJSA-N 0 0 306.288 0.982 10 0 DCAERN COCCCNC(=O)C1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359596697 271129161 /nfs/dbraw/zinc/12/91/61/271129161.db2.gz NCLBNFCCNCEKBP-CQSZACIVSA-N 0 0 312.410 0.803 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000359608270 271130211 /nfs/dbraw/zinc/13/02/11/271130211.db2.gz ITZRFGTYQPJTJQ-CQSZACIVSA-N 0 0 318.377 0.254 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CO)C1CCCC1 ZINC000359608801 271131402 /nfs/dbraw/zinc/13/14/02/271131402.db2.gz FPTNQCNACSHDQO-BBRMVZONSA-N 0 0 308.378 0.267 10 0 DCAERN COC(=O)CCCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000359933370 271147902 /nfs/dbraw/zinc/14/79/02/271147902.db2.gz BXUTVYYLSVSTLF-GFCCVEGCSA-N 0 0 312.366 0.226 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000359955797 271151204 /nfs/dbraw/zinc/15/12/04/271151204.db2.gz IQQLDVHLVRNMCQ-OLZOCXBDSA-N 0 0 324.406 0.922 10 0 DCAERN C[C@H](CNc1ccc(S(C)(=O)=O)cc1F)S(N)(=O)=O ZINC000361047465 271174230 /nfs/dbraw/zinc/17/42/30/271174230.db2.gz YFCHYTJIYOEVOG-SSDOTTSWSA-N 0 0 310.372 0.318 10 0 DCAERN COCCOCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361054780 271174654 /nfs/dbraw/zinc/17/46/54/271174654.db2.gz QVCUXUZJEKHLBB-NSHDSACASA-N 0 0 314.304 0.748 10 0 DCAERN C[C@H]1CC(=O)NCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000363593884 271194445 /nfs/dbraw/zinc/19/44/45/271194445.db2.gz SBSXQZKURCXXHT-ZPMKCOPCSA-N 0 0 301.346 0.536 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000363945203 271208124 /nfs/dbraw/zinc/20/81/24/271208124.db2.gz BIXVTBDGPRDSRX-FRRDWIJNSA-N 0 0 318.439 0.826 10 0 DCAERN COc1cc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)ncn1 ZINC000434443243 271528463 /nfs/dbraw/zinc/52/84/63/271528463.db2.gz WHSGWAANLBWZRO-UHFFFAOYSA-N 0 0 316.321 0.523 10 0 DCAERN C[C@H](O)CCCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440028177 271647329 /nfs/dbraw/zinc/64/73/29/271647329.db2.gz PQSXDIMFDKBKHC-NSHDSACASA-N 0 0 319.361 0.639 10 0 DCAERN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(C)CCCO ZINC000443273687 271705682 /nfs/dbraw/zinc/70/56/82/271705682.db2.gz SABFHFOMMAUIJG-UHFFFAOYSA-N 0 0 323.349 0.433 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000443327627 271707473 /nfs/dbraw/zinc/70/74/73/271707473.db2.gz NUCGGQUAGSDZFY-UHFFFAOYSA-N 0 0 309.351 0.313 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2coc(CC)n2)CC12COC2 ZINC000452262138 271912159 /nfs/dbraw/zinc/91/21/59/271912159.db2.gz MFTBLIKZUXLFLJ-SNVBAGLBSA-N 0 0 308.334 0.889 10 0 DCAERN Cc1cc(OCC(=O)NC[C@H](O)Cn2ccnn2)ccc1Cl ZINC000458125447 271942862 /nfs/dbraw/zinc/94/28/62/271942862.db2.gz LFVBLLVISLWRLG-NSHDSACASA-N 0 0 324.768 0.796 10 0 DCAERN CCc1ccccc1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458129438 271943716 /nfs/dbraw/zinc/94/37/16/271943716.db2.gz OSRFXWCNJFPEKT-ZDUSSCGKSA-N 0 0 304.350 0.397 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)Oc1ccccc1 ZINC000458406763 271955822 /nfs/dbraw/zinc/95/58/22/271955822.db2.gz WQQZGEPAVQXFAB-QWHCGFSZSA-N 0 0 319.365 0.406 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)C(=O)N(C)CC2CC2)C[C@H](C)O1 ZINC000460009323 272023725 /nfs/dbraw/zinc/02/37/25/272023725.db2.gz LMEWQFNJPHUYHT-BETUJISGSA-N 0 0 311.426 0.422 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000487150522 272038964 /nfs/dbraw/zinc/03/89/64/272038964.db2.gz MMFLPJYUYHUWJS-JGVFFNPUSA-N 0 0 315.757 0.854 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCn1cc(C)cn1 ZINC000487150743 272039188 /nfs/dbraw/zinc/03/91/88/272039188.db2.gz GSOWGYWPRSPRLD-RYUDHWBXSA-N 0 0 324.381 0.154 10 0 DCAERN CC(C)CN1CCN(C(=O)NCc2ccn(C)n2)[C@H](C)C1=O ZINC000488484347 272046189 /nfs/dbraw/zinc/04/61/89/272046189.db2.gz URDOQICJDZYPND-GFCCVEGCSA-N 0 0 307.398 0.818 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488928338 272053897 /nfs/dbraw/zinc/05/38/97/272053897.db2.gz GHOYJQVBGGHWLX-MNOVXSKESA-N 0 0 324.393 0.799 10 0 DCAERN CCNC(=O)CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489602075 272064015 /nfs/dbraw/zinc/06/40/15/272064015.db2.gz HTSXLFNRTQQSNH-UHFFFAOYSA-N 0 0 302.334 0.796 10 0 DCAERN O=C(NCc1ccccc1OCCO)NC[C@@H](O)C(F)F ZINC000489613563 272064706 /nfs/dbraw/zinc/06/47/06/272064706.db2.gz SBGFWOFLTNBNJM-SNVBAGLBSA-N 0 0 304.293 0.483 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)CCc2ccncn2)c1 ZINC000494619047 272226951 /nfs/dbraw/zinc/22/69/51/272226951.db2.gz JZKAJXKWKVTLCZ-UHFFFAOYSA-N 0 0 320.374 0.956 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(C(N)=O)nc2)[nH]n1 ZINC000495028222 272235581 /nfs/dbraw/zinc/23/55/81/272235581.db2.gz MKSGZRGDHCLEGG-VIFPVBQESA-N 0 0 316.365 0.642 10 0 DCAERN O=C(NCCCN1CCCCC1=O)c1cn2cccnc2n1 ZINC000517368542 272466355 /nfs/dbraw/zinc/46/63/55/272466355.db2.gz SWOVMJCBKADDKN-UHFFFAOYSA-N 0 0 301.350 0.862 10 0 DCAERN CC[C@@H](NC(=O)c1cn2cccnc2n1)C(=O)N1CCOCC1 ZINC000530985941 272752920 /nfs/dbraw/zinc/75/29/20/272752920.db2.gz FELAKMXEUFUHNC-LLVKDONJSA-N 0 0 317.349 0.097 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc2ncnn21 ZINC000527335993 287692581 /nfs/dbraw/zinc/69/25/81/287692581.db2.gz FWSQVDZXPCMPOJ-LBPRGKRZSA-N 0 0 301.350 0.716 10 0 DCAERN c1ccn2c(c1)nnc2C1CCN(c2nccn3nnnc23)CC1 ZINC000530903619 287762305 /nfs/dbraw/zinc/76/23/05/287762305.db2.gz XYKFRGBIJHATMU-UHFFFAOYSA-N 0 0 321.348 0.946 10 0 DCAERN c1cn2nnnc2c(N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000531383906 287776334 /nfs/dbraw/zinc/77/63/34/287776334.db2.gz BSVJOXCNGLDACH-GFCCVEGCSA-N 0 0 303.370 0.210 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000531558243 287781419 /nfs/dbraw/zinc/78/14/19/287781419.db2.gz WWMLNYZPAWRVPB-UHFFFAOYSA-N 0 0 309.333 0.939 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC(C)(C)C(=O)N(C)C)no2)c1 ZINC000534422686 287815999 /nfs/dbraw/zinc/81/59/99/287815999.db2.gz MGUSPNXWLVZDFV-UHFFFAOYSA-N 0 0 319.365 0.824 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)NC(C)(C)C(=O)N(C)C ZINC000539674655 287892996 /nfs/dbraw/zinc/89/29/96/287892996.db2.gz NUNURXKXRIBLDD-NSHDSACASA-N 0 0 308.378 0.929 10 0 DCAERN O=C(c1cccc2ncnn21)N1CC[C@@H](CN2CCOCC2)C1 ZINC000541083782 287916390 /nfs/dbraw/zinc/91/63/90/287916390.db2.gz ZAPYENNRRNNPCF-ZDUSSCGKSA-N 0 0 315.377 0.524 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000408047812 277089200 /nfs/dbraw/zinc/08/92/00/277089200.db2.gz JHJJOYDGHNTXLZ-GMTAPVOTSA-N 0 0 306.366 0.567 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCCc3c2cnn3C)CC(=O)N1C ZINC000282606286 287943134 /nfs/dbraw/zinc/94/31/34/287943134.db2.gz QRXHGLQJPDELEZ-PWSUYJOCSA-N 0 0 305.382 0.670 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408457571 277225121 /nfs/dbraw/zinc/22/51/21/277225121.db2.gz POOOILCXJXBXDT-MELADBBJSA-N 0 0 320.455 0.536 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000189230489 277280390 /nfs/dbraw/zinc/28/03/90/277280390.db2.gz WIRLPDAUZJHEHY-MRVPVSSYSA-N 0 0 309.395 0.685 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000543626809 287961442 /nfs/dbraw/zinc/96/14/42/287961442.db2.gz MWBOZKZAZGJFBE-GFCCVEGCSA-N 0 0 306.366 0.242 10 0 DCAERN O=C(NCc1ccc2c(c1)CCO2)N1CCN2CCOC[C@@H]2C1 ZINC000543680001 287962336 /nfs/dbraw/zinc/96/23/36/287962336.db2.gz LZCIXRBKQCOOER-HNNXBMFYSA-N 0 0 317.389 0.848 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000408052363 278031818 /nfs/dbraw/zinc/03/18/18/278031818.db2.gz LHPUBWUEDCFFHS-BHYGNILZSA-N 0 0 324.421 0.513 10 0 DCAERN Cc1nnc([C@H](C)NC(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000546136222 288016313 /nfs/dbraw/zinc/01/63/13/288016313.db2.gz ONTWRAGBWRHUHU-GXSJLCMTSA-N 0 0 311.411 0.634 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408039280 278163719 /nfs/dbraw/zinc/16/37/19/278163719.db2.gz UPRRLQFQMSRGEO-QKCSRTOESA-N 0 0 307.394 0.513 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000066528786 278179134 /nfs/dbraw/zinc/17/91/34/278179134.db2.gz RLEIQTUKPALZOU-STQMWFEESA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H](C(=O)N(C)C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105911767 278183181 /nfs/dbraw/zinc/18/31/81/278183181.db2.gz KJSFVWFULJZJLF-GOEBONIOSA-N 0 0 305.422 0.814 10 0 DCAERN CC1(C)CCC[C@H]1CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333530458 278244696 /nfs/dbraw/zinc/24/46/96/278244696.db2.gz MDKKSYXXVKTMFO-WDEREUQCSA-N 0 0 314.407 0.874 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000281957119 278349626 /nfs/dbraw/zinc/34/96/26/278349626.db2.gz JCPSHVGIZNZSEZ-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1C ZINC000175961409 278399577 /nfs/dbraw/zinc/39/95/77/278399577.db2.gz BJAMJVMZTHGNBN-QWHCGFSZSA-N 0 0 306.410 0.675 10 0 DCAERN CCn1ncc(NC(=O)CN2CCOCC2=O)c1C(F)(F)F ZINC000547372872 288041565 /nfs/dbraw/zinc/04/15/65/288041565.db2.gz GMZTULQGRBUIKZ-UHFFFAOYSA-N 0 0 320.271 0.719 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000265860156 278461533 /nfs/dbraw/zinc/46/15/33/278461533.db2.gz GIZPYWMHCWOUHZ-IUCAKERBSA-N 0 0 318.333 0.284 10 0 DCAERN CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000407998518 278491411 /nfs/dbraw/zinc/49/14/11/278491411.db2.gz SCZNHUBWQUFJMB-VIFPVBQESA-N 0 0 319.427 0.105 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)CCN1CCO ZINC000547649727 288065062 /nfs/dbraw/zinc/06/50/62/288065062.db2.gz NAKVTSIJHPYBOO-LLVKDONJSA-N 0 0 324.450 0.569 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000547793942 288079925 /nfs/dbraw/zinc/07/99/25/288079925.db2.gz AVJJDZCYLZVGBY-LLVKDONJSA-N 0 0 313.379 0.198 10 0 DCAERN Cc1cnc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000408106311 279008466 /nfs/dbraw/zinc/00/84/66/279008466.db2.gz KDSRNWIWUMOZNR-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN CC(C)CN1CCN(C(=O)c2cccc3ncnn32)CC1=O ZINC000547970898 288097117 /nfs/dbraw/zinc/09/71/17/288097117.db2.gz QYGXQOCQIAJHHQ-UHFFFAOYSA-N 0 0 301.350 0.670 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079036761 279128229 /nfs/dbraw/zinc/12/82/29/279128229.db2.gz PRALJJLLOCGVQJ-VXGBXAGGSA-N 0 0 305.444 0.449 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 ZINC000548084899 288110312 /nfs/dbraw/zinc/11/03/12/288110312.db2.gz GTWZRRURWUPHRD-UHFFFAOYSA-N 0 0 314.349 0.684 10 0 DCAERN Cc1ncncc1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000548501552 288148779 /nfs/dbraw/zinc/14/87/79/288148779.db2.gz VNSYTXLOAFUQKL-UHFFFAOYSA-N 0 0 313.361 0.947 10 0 DCAERN COC[C@@H](NC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC000548717020 288170227 /nfs/dbraw/zinc/17/02/27/288170227.db2.gz CEARHJFTTNHMCJ-CYBMUJFWSA-N 0 0 310.325 0.488 10 0 DCAERN C[C@@H]1CC(NC(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C)O1 ZINC000548720541 288170587 /nfs/dbraw/zinc/17/05/87/288170587.db2.gz CQIAPEKUGKJYBA-XHBSWPGZSA-N 0 0 308.378 0.672 10 0 DCAERN Cn1cc(OCC(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1 ZINC000548799130 288177155 /nfs/dbraw/zinc/17/71/55/288177155.db2.gz DOWVGJIVJHUQBI-OAHLLOKOSA-N 0 0 314.345 0.499 10 0 DCAERN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN2C(=O)NC[C@H]2C1 ZINC000267707840 280116630 /nfs/dbraw/zinc/11/66/30/280116630.db2.gz IHPOEYLPDLFSIJ-AAEUAGOBSA-N 0 0 321.764 0.880 10 0 DCAERN Cc1[nH]c2ccccc2c1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000368658554 280184222 /nfs/dbraw/zinc/18/42/22/280184222.db2.gz LYIIDROLBXVVIS-MRXNPFEDSA-N 0 0 312.329 0.900 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000181799279 280204843 /nfs/dbraw/zinc/20/48/43/280204843.db2.gz DYHCUNIJPLMPGH-GXTWGEPZSA-N 0 0 323.441 0.888 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCC13CCC3)C2 ZINC000550736511 288218626 /nfs/dbraw/zinc/21/86/26/288218626.db2.gz KSTIRGFWKJVAIL-CYBMUJFWSA-N 0 0 314.389 0.914 10 0 DCAERN CC(C)[C@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092228854 280295211 /nfs/dbraw/zinc/29/52/11/280295211.db2.gz CJOVQAXKWDUSBI-ZBFHGGJFSA-N 0 0 319.405 0.686 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000265596649 280356616 /nfs/dbraw/zinc/35/66/16/280356616.db2.gz BODBGJGXRYTGGO-IONNQARKSA-N 0 0 302.334 0.079 10 0 DCAERN Cc1cc(N2CCN(C)[C@@H](c3nccn3C)C2)n2ncnc2n1 ZINC000280550993 280557967 /nfs/dbraw/zinc/55/79/67/280557967.db2.gz TXBMRQGWNNOGND-GFCCVEGCSA-N 0 0 312.381 0.659 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)COCc2ncc(C)o2)C1 ZINC000552104520 288264813 /nfs/dbraw/zinc/26/48/13/288264813.db2.gz KWROYTUBFHQPKP-NSHDSACASA-N 0 0 310.354 0.420 10 0 DCAERN Cc1onc(-c2cccnc2)c1C(=O)N(C)Cc1nnnn1C ZINC000552294399 288271379 /nfs/dbraw/zinc/27/13/79/288271379.db2.gz MIAMJPNELQTQRU-UHFFFAOYSA-N 0 0 313.321 0.841 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@]3(CCCOC3)C2)C1 ZINC000553020350 288284683 /nfs/dbraw/zinc/28/46/83/288284683.db2.gz VRSSHPWNUDGIOF-CVEARBPZSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1ccc2ncc(C(=O)N[C@H]3CCCn4ncnc43)c(=O)n2c1 ZINC000177564980 281166724 /nfs/dbraw/zinc/16/67/24/281166724.db2.gz JWRNQIAIYUXGTD-LBPRGKRZSA-N 0 0 324.344 0.859 10 0 DCAERN CC1(C)CN(C(=O)NCCS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000366227482 281173769 /nfs/dbraw/zinc/17/37/69/281173769.db2.gz ZKRSJGLCFYCMHE-CYBMUJFWSA-N 0 0 320.411 0.011 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)C[C@H](C)O1 ZINC000554244133 288316388 /nfs/dbraw/zinc/31/63/88/288316388.db2.gz WZOFXAUUBQCDCK-PHIMTYICSA-N 0 0 302.334 0.909 10 0 DCAERN CC(C)(C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)S(C)(=O)=O ZINC000554506465 288324474 /nfs/dbraw/zinc/32/44/74/288324474.db2.gz PQXNJGKJMWCNMV-MRVPVSSYSA-N 0 0 316.345 0.562 10 0 DCAERN Cn1cc(OCC(=O)N2CCCN(c3nccs3)CC2)cn1 ZINC000554566675 288329274 /nfs/dbraw/zinc/32/92/74/288329274.db2.gz JXYXBYTYOSYOME-UHFFFAOYSA-N 0 0 321.406 0.994 10 0 DCAERN Cn1cnc(CCNC(=O)N[C@H]2CCCc3nn(C)cc32)n1 ZINC000554738620 288336966 /nfs/dbraw/zinc/33/69/66/288336966.db2.gz NAZDFHXEONGHEH-NSHDSACASA-N 0 0 303.370 0.468 10 0 DCAERN CCn1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000555149733 288344959 /nfs/dbraw/zinc/34/49/59/288344959.db2.gz QAEIPIXLHPGEFA-OLZOCXBDSA-N 0 0 307.398 0.323 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](OC(F)F)C2)CC1 ZINC000555073514 288343546 /nfs/dbraw/zinc/34/35/46/288343546.db2.gz OFZFOLXGDSDXRQ-PWSUYJOCSA-N 0 0 319.352 0.379 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC(=O)N1 ZINC000408202772 288347442 /nfs/dbraw/zinc/34/74/42/288347442.db2.gz NXUBAAXFGBBERZ-QWRGUYRKSA-N 0 0 316.423 0.327 10 0 DCAERN CCn1nncc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408073410 281690436 /nfs/dbraw/zinc/69/04/36/281690436.db2.gz LKNWHYQJBVUACR-MRVWCRGKSA-N 0 0 308.382 0.690 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000555952000 288366876 /nfs/dbraw/zinc/36/68/76/288366876.db2.gz KCPZXQHPDJEBLL-XOIINTDNSA-N 0 0 321.421 0.620 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1nc2n(n1)CCCC2 ZINC000333726625 281943736 /nfs/dbraw/zinc/94/37/36/281943736.db2.gz JCPZXYZWYMNAOC-VIFPVBQESA-N 0 0 309.395 0.864 10 0 DCAERN Cc1nc2[nH]ccc2c(N2CCC[C@@H](N3CCNCC3=O)C2)n1 ZINC000333916215 282004439 /nfs/dbraw/zinc/00/44/39/282004439.db2.gz NECYCOMAVAYFIM-GFCCVEGCSA-N 0 0 314.393 0.667 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1c1ncnc2c1ncn2C1CC1 ZINC000292879202 288408099 /nfs/dbraw/zinc/40/80/99/288408099.db2.gz YQBARBCDBNMUJV-SECBINFHSA-N 0 0 307.379 0.785 10 0 DCAERN O=C(NCCCn1cccn1)C(=O)Nc1ccc2nccn2c1 ZINC000557354761 288418150 /nfs/dbraw/zinc/41/81/50/288418150.db2.gz MWWVINABXWSZLE-UHFFFAOYSA-N 0 0 312.333 0.676 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000558669319 288454467 /nfs/dbraw/zinc/45/44/67/288454467.db2.gz PKTVJGWBDNQWRO-MRXNPFEDSA-N 0 0 312.377 0.984 10 0 DCAERN Cn1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000558922996 288462621 /nfs/dbraw/zinc/46/26/21/288462621.db2.gz POYSVYHTGPJNOM-DOMZBBRYSA-N 0 0 307.394 0.647 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C(C)C ZINC000560490030 288506917 /nfs/dbraw/zinc/50/69/17/288506917.db2.gz UPIPAAUCMFFUQB-AGIUHOORSA-N 0 0 302.415 0.421 10 0 DCAERN CCn1cncc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408338814 288749375 /nfs/dbraw/zinc/74/93/75/288749375.db2.gz AJQJJSPKSAXXCV-VHSXEESVSA-N 0 0 300.384 0.178 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000408163911 288930587 /nfs/dbraw/zinc/93/05/87/288930587.db2.gz FMDHNVFWWJJQBA-NSHDSACASA-N 0 0 316.423 0.281 10 0 DCAERN CN(C)C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)CCO1 ZINC000408179313 289214280 /nfs/dbraw/zinc/21/42/80/289214280.db2.gz CTLMBTPZVSJGST-LBPRGKRZSA-N 0 0 318.439 0.133 10 0 DCAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCc3cncnc3C1)CS2 ZINC000329232323 289219095 /nfs/dbraw/zinc/21/90/95/289219095.db2.gz FWPHPMYMMACKAE-IUODEOHRSA-N 0 0 318.402 0.815 10 0 DCAERN CN(CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)S(C)(=O)=O ZINC000120338944 289467633 /nfs/dbraw/zinc/46/76/33/289467633.db2.gz IWXNRRKCTNYWOZ-DGCLKSJQSA-N 0 0 304.412 0.031 10 0 DCAERN CN1CCN(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1=O ZINC000408218202 290040174 /nfs/dbraw/zinc/04/01/74/290040174.db2.gz PWNLPMRHWIHVCH-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297805 290083601 /nfs/dbraw/zinc/08/36/01/290083601.db2.gz HVLAVZGTTODSED-NUJGCVRESA-N 0 0 318.417 0.912 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864157 290087462 /nfs/dbraw/zinc/08/74/62/290087462.db2.gz GBHRKHLZUHMSFU-QWHCGFSZSA-N 0 0 303.428 0.122 10 0 DCAERN CN1C[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110953135 290261906 /nfs/dbraw/zinc/26/19/06/290261906.db2.gz TTZIUSKVKVREGM-KBPBESRZSA-N 0 0 309.410 0.178 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000176932200 293242960 /nfs/dbraw/zinc/24/29/60/293242960.db2.gz HNXFKOYMMSSUOO-ZETCQYMHSA-N 0 0 324.449 0.568 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCOC2(CCOCC2)CC1 ZINC000375232542 299860768 /nfs/dbraw/zinc/86/07/68/299860768.db2.gz BWPWPUPAVWABFY-ZDUSSCGKSA-N 0 0 318.439 0.987 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000408426391 294496283 /nfs/dbraw/zinc/49/62/83/294496283.db2.gz SNVIPTNIZKCXTF-SRVKXCTJSA-N 0 0 304.412 0.773 10 0 DCAERN Cn1ncc(C(=O)N2CCCO2)c1I ZINC000293511753 294526373 /nfs/dbraw/zinc/52/63/73/294526373.db2.gz POBIYDMYLIEYMX-UHFFFAOYSA-N 0 0 307.091 0.802 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1c3ccccc3C[C@H]1C(N)=O)CC2 ZINC000369872863 294561751 /nfs/dbraw/zinc/56/17/51/294561751.db2.gz JWRHKSXTHOCTLD-LRDDRELGSA-N 0 0 324.384 0.968 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)N(C(C)=O)C1 ZINC000408275408 294649619 /nfs/dbraw/zinc/64/96/19/294649619.db2.gz YZHOWYRODCYPRZ-ZWUHOBOKSA-N 0 0 312.410 0.942 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1=O ZINC000333772404 295065322 /nfs/dbraw/zinc/06/53/22/295065322.db2.gz YFGVDQIAMVIXBP-STQMWFEESA-N 0 0 301.346 0.843 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000091782273 295158034 /nfs/dbraw/zinc/15/80/34/295158034.db2.gz BMGFENBTFSQYSC-LLVKDONJSA-N 0 0 316.279 0.961 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc2ccccc2oc1=O ZINC000091781101 295158731 /nfs/dbraw/zinc/15/87/31/295158731.db2.gz DEDFNGJZOIVQAL-LLVKDONJSA-N 0 0 302.286 0.119 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000408262200 295175473 /nfs/dbraw/zinc/17/54/73/295175473.db2.gz HGIQUBFVWFXSDL-ZYHUDNBSSA-N 0 0 302.334 0.064 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000265115779 297122118 /nfs/dbraw/zinc/12/21/18/297122118.db2.gz YSPBQBJSJGWUAN-ZLDLUXBVSA-N 0 0 303.362 0.848 10 0 DCAERN C[C@H](CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C)N1CCCCC1=O ZINC000188667419 298297481 /nfs/dbraw/zinc/29/74/81/298297481.db2.gz ZDLSGLLBWYOHCO-YNEHKIRRSA-N 0 0 309.410 0.890 10 0 DCAERN C[C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)N1CCCCC1=O ZINC000189217811 298304993 /nfs/dbraw/zinc/30/49/93/298304993.db2.gz LWXHSYDPRCODJY-FRRDWIJNSA-N 0 0 309.410 0.938 10 0 DCAERN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C(N)=O)N1CCCCC1=O ZINC000248957430 298305742 /nfs/dbraw/zinc/30/57/42/298305742.db2.gz LWXHSYDPRCODJY-JHJVBQTASA-N 0 0 309.410 0.938 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C1=NS(=O)(=O)c2ccccc21 ZINC000302047066 300056546 /nfs/dbraw/zinc/05/65/46/300056546.db2.gz YOCXQZRJDWHRDB-UWVGGRQHSA-N 0 0 307.375 0.721 10 0 DCAERN Cc1c[nH]cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1=O ZINC000408135873 301028249 /nfs/dbraw/zinc/02/82/49/301028249.db2.gz ZMPOCRCVWBDRCB-TZMCWYRMSA-N 0 0 305.378 0.476 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCNC[C@H]2c2nccn2C)n1 ZINC000261716916 301251121 /nfs/dbraw/zinc/25/11/21/301251121.db2.gz LBFMCQDCKLWRKX-KGLIPLIRSA-N 0 0 316.409 0.968 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)on1 ZINC000328834854 301279412 /nfs/dbraw/zinc/27/94/12/301279412.db2.gz LZPNHASRWQUCIH-OLZOCXBDSA-N 0 0 315.395 0.218 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000183740895 301323879 /nfs/dbraw/zinc/32/38/79/301323879.db2.gz WUGKAQLTBSPXHB-HZMBPMFUSA-N 0 0 319.336 0.270 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000090561429 301341920 /nfs/dbraw/zinc/34/19/20/301341920.db2.gz FMUSCZSDRYMZSJ-ZDUSSCGKSA-N 0 0 320.393 0.673 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000408228469 302291512 /nfs/dbraw/zinc/29/15/12/302291512.db2.gz XPCUCHBPMMEASS-CHWSQXEVSA-N 0 0 313.423 0.466 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)cc1 ZINC000091784938 303307310 /nfs/dbraw/zinc/30/73/10/303307310.db2.gz JVEOMHZLVGPTKU-JTQLQIEISA-N 0 0 313.151 0.775 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccncc1Br ZINC000180205865 303308019 /nfs/dbraw/zinc/30/80/19/303308019.db2.gz VCUHYRKZOABBPM-VIFPVBQESA-N 0 0 314.139 0.170 10 0 DCAERN CO[C@H]1C[C@H](NC(=O)C(=O)N2CCc3cncnc3C2)C1(C)C ZINC000580298501 333073663 /nfs/dbraw/zinc/07/36/63/333073663.db2.gz WNTNGYIFPPRULO-STQMWFEESA-N 0 0 318.377 0.291 10 0 DCAERN CC(C)CN1CCO[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000189987427 336258410 /nfs/dbraw/zinc/25/84/10/336258410.db2.gz UKGAHKDEDRSSAE-MGPQQGTHSA-N 0 0 320.455 0.440 10 0 DCAERN Cc1ccc(CNC(=O)CNC(N)=O)c(-n2cc(Cl)cn2)n1 ZINC000190325837 336262363 /nfs/dbraw/zinc/26/23/63/336262363.db2.gz GBGNNKFASXRWLI-UHFFFAOYSA-N 0 0 322.756 0.514 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Br)C1 ZINC000583159381 337247825 /nfs/dbraw/zinc/24/78/25/337247825.db2.gz VGBJDRFAACFCSS-CBAPKCEASA-N 0 0 300.156 0.923 10 0 DCAERN Cc1cccnc1CNC(=O)c1nc(C)c(C(N)=O)nc1N ZINC000584623813 337375175 /nfs/dbraw/zinc/37/51/75/337375175.db2.gz PIMFCFVQSPGLSJ-UHFFFAOYSA-N 0 0 300.322 0.100 10 0 DCAERN COc1cc2c(cncc2OC[C@@H]2CCC(=O)N2)cc1C(N)=O ZINC000584640371 337379958 /nfs/dbraw/zinc/37/99/58/337379958.db2.gz UUQVPHSXUSRZTE-JTQLQIEISA-N 0 0 315.329 1.000 10 0 DCAERN CCN1C(=O)Cc2cc(NS(=O)(=O)N(C)C)c(F)cc21 ZINC000584648330 337380375 /nfs/dbraw/zinc/38/03/75/337380375.db2.gz ZLVQKTURKPBCNK-UHFFFAOYSA-N 0 0 301.343 0.953 10 0 DCAERN Cc1c(C(=O)N2CCNC(=O)[C@H]2C)cccc1N1CCNC1=O ZINC000173452811 533755619 /nfs/dbraw/zinc/75/56/19/533755619.db2.gz CKJRWQGAOHSTTP-LLVKDONJSA-N 0 0 316.361 0.485 10 0 DCAERN C[C@@H]1CCN(c2cnn(C)c(=O)c2Br)C[C@H]1O ZINC000301965796 534059443 /nfs/dbraw/zinc/05/94/43/534059443.db2.gz XHQIWAXDQRIEMF-VXNVDRBHSA-N 0 0 302.172 0.750 10 0 DCAERN Cc1ccc(-c2cc(C(=O)NCCOCC(N)=O)[nH]n2)c(C)c1 ZINC000186441084 534176278 /nfs/dbraw/zinc/17/62/78/534176278.db2.gz DHNMWTWRNANYDR-UHFFFAOYSA-N 0 0 316.361 0.925 10 0 DCAERN Cn1nnc(COc2ccc(S(=O)(=O)NCC3CC3)cc2)n1 ZINC000408525418 534334751 /nfs/dbraw/zinc/33/47/51/534334751.db2.gz QUFRTFAMPDCTED-UHFFFAOYSA-N 0 0 323.378 0.477 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187920173 518403173 /nfs/dbraw/zinc/40/31/73/518403173.db2.gz ACMNOBMQWQRCHG-UHFFFAOYSA-N 0 0 322.386 0.788 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)CNC(=O)NCc1ccco1 ZINC000186656394 519355299 /nfs/dbraw/zinc/35/52/99/519355299.db2.gz JGWTXIFSTJONAD-GFCCVEGCSA-N 0 0 311.382 0.944 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000191342642 519647975 /nfs/dbraw/zinc/64/79/75/519647975.db2.gz PUVGHIJEGLIJOV-UHFFFAOYSA-N 0 0 318.358 0.582 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000190142462 519648313 /nfs/dbraw/zinc/64/83/13/519648313.db2.gz MQYRANYUHBHQQV-JOCHJYFZSA-N 0 0 323.418 0.465 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000189953886 519648417 /nfs/dbraw/zinc/64/84/17/519648417.db2.gz IXWSNOBSOXRPRF-UHFFFAOYSA-N 0 0 313.361 0.902 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1 ZINC000190484559 519648991 /nfs/dbraw/zinc/64/89/91/519648991.db2.gz MPKWDHPPUGWTSK-UHFFFAOYSA-N 0 0 302.309 0.972 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000190470335 519649060 /nfs/dbraw/zinc/64/90/60/519649060.db2.gz BWWNBANUMUHRGG-UHFFFAOYSA-N 0 0 317.324 0.426 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000188122353 519650786 /nfs/dbraw/zinc/65/07/86/519650786.db2.gz JOSPRSBBAHXHQG-GFCCVEGCSA-N 0 0 324.406 0.367 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCC[C@H](n3cncn3)C2)CC1=O ZINC000267553802 519694401 /nfs/dbraw/zinc/69/44/01/519694401.db2.gz DTIJRBQJLVIJBV-STQMWFEESA-N 0 0 320.397 0.634 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000268482584 519710838 /nfs/dbraw/zinc/71/08/38/519710838.db2.gz JUFVEFLKWWGEJX-RYUDHWBXSA-N 0 0 320.397 0.292 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCn1ccnc1)CC2 ZINC000154828518 519871554 /nfs/dbraw/zinc/87/15/54/519871554.db2.gz VGVDCDUCCUIAMV-LBPRGKRZSA-N 0 0 317.397 0.912 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C[C@@H]1COC(=O)C1)CC2 ZINC000154776735 519871844 /nfs/dbraw/zinc/87/18/44/519871844.db2.gz AZEWRVHZXUIYOY-WDEREUQCSA-N 0 0 306.366 0.786 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000189552827 520044759 /nfs/dbraw/zinc/04/47/59/520044759.db2.gz SKUDSDGHSFYBAS-SNVBAGLBSA-N 0 0 314.411 0.687 10 0 DCAERN CC(C)n1nnnc1CSc1nnnn1C1CCOCC1 ZINC000105937280 520147201 /nfs/dbraw/zinc/14/72/01/520147201.db2.gz XNZFRKLNYRZTDL-UHFFFAOYSA-N 0 0 310.387 0.884 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)NCc2ccnn2C)C1(C)C ZINC000187482762 520557789 /nfs/dbraw/zinc/55/77/89/520557789.db2.gz CIRKOYBXWXDFHF-WFASDCNBSA-N 0 0 310.398 0.785 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCCC[C@@H]2c2nc[nH]n2)C1=O ZINC000121784144 520603783 /nfs/dbraw/zinc/60/37/83/520603783.db2.gz JYVIJIYTGIZGNC-SNVBAGLBSA-N 0 0 306.370 0.662 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)CNC(=O)c1cccnc1 ZINC000189843459 521305745 /nfs/dbraw/zinc/30/57/45/521305745.db2.gz IOZTVAOHEZDHAA-MRXNPFEDSA-N 0 0 318.377 0.329 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(C)CCc1ccc(F)cc1 ZINC000159113351 521668794 /nfs/dbraw/zinc/66/87/94/521668794.db2.gz CZBFQLDAJXXLCI-UHFFFAOYSA-N 0 0 302.371 0.766 10 0 DCAERN COc1cc(C(=O)N2CCCN(c3cccnn3)CC2)on1 ZINC000157958453 522075024 /nfs/dbraw/zinc/07/50/24/522075024.db2.gz NVEYZEHBRAVMAX-UHFFFAOYSA-N 0 0 303.322 0.826 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000189784795 522124897 /nfs/dbraw/zinc/12/48/97/522124897.db2.gz YUUDNKXLVLBGQF-CYBMUJFWSA-N 0 0 319.365 0.267 10 0 DCAERN CN(C)c1nc(C[S@](=O)CC(=O)NCC2CCC2)ns1 ZINC000180270719 522321649 /nfs/dbraw/zinc/32/16/49/522321649.db2.gz KVJVFIYLPNMZMC-FQEVSTJZSA-N 0 0 316.452 0.769 10 0 DCAERN CN(CC(=O)N1CCO[C@@H](c2cccs2)C1)S(C)(=O)=O ZINC000162085598 522446163 /nfs/dbraw/zinc/44/61/63/522446163.db2.gz CSOJSPDWEKBGMU-SNVBAGLBSA-N 0 0 318.420 0.539 10 0 DCAERN COC[C@@]1(C)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O ZINC000170715396 522537189 /nfs/dbraw/zinc/53/71/89/522537189.db2.gz MJRBZHIZLFOFGT-SMDDNHRTSA-N 0 0 314.288 0.955 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000189115637 522591773 /nfs/dbraw/zinc/59/17/73/522591773.db2.gz WBMYCHGBBHLRNO-UHFFFAOYSA-N 0 0 304.354 0.020 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N(C)CC1CC(O)C1 ZINC000190799431 522670164 /nfs/dbraw/zinc/67/01/64/522670164.db2.gz BMWFRPCONCDYLV-UHFFFAOYSA-N 0 0 310.398 0.903 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2cccc(Cl)c2)C1 ZINC000188152087 522758281 /nfs/dbraw/zinc/75/82/81/522758281.db2.gz QXQCTYIZZSTVCZ-UHFFFAOYSA-N 0 0 311.769 0.996 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccccc2C)C1 ZINC000188208000 522758956 /nfs/dbraw/zinc/75/89/56/522758956.db2.gz NXBVJXIIPFHELH-UHFFFAOYSA-N 0 0 305.378 0.694 10 0 DCAERN COC(=O)C1(NC[C@H](O)CN2CCOCC2)CCCCCC1 ZINC000154769655 522854933 /nfs/dbraw/zinc/85/49/33/522854933.db2.gz OWWMWVIUVSWUCP-AWEZNQCLSA-N 0 0 314.426 0.535 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000129867267 522986374 /nfs/dbraw/zinc/98/63/74/522986374.db2.gz LYHFTTUSIYSSOK-VIFPVBQESA-N 0 0 316.404 0.502 10 0 DCAERN COc1ccc(-c2nnc(CNC(=O)N3CC(CO)C3)[nH]2)cc1 ZINC000189236897 523209096 /nfs/dbraw/zinc/20/90/96/523209096.db2.gz VMSFMYNCEZDRLP-UHFFFAOYSA-N 0 0 317.349 0.614 10 0 DCAERN CCn1c2ccccc2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000130299525 523288354 /nfs/dbraw/zinc/28/83/54/523288354.db2.gz AIWCVYFAHGDWAH-VIFPVBQESA-N 0 0 301.306 0.593 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000188715725 523589440 /nfs/dbraw/zinc/58/94/40/523589440.db2.gz LZTFPDXXIJRGPB-GFCCVEGCSA-N 0 0 301.289 0.938 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CC[C@H](O)C2)[C@@H]1c1cccnc1 ZINC000191185463 523705639 /nfs/dbraw/zinc/70/56/39/523705639.db2.gz BBXCPUKXACYEJI-DSRCVFDASA-N 0 0 317.389 0.878 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H](C)n1nc(C)cc1C ZINC000247740770 523790497 /nfs/dbraw/zinc/79/04/97/523790497.db2.gz WWANKACQSPYSOH-AGIUHOORSA-N 0 0 309.366 0.850 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CCNC(=O)C1 ZINC000298149544 534745015 /nfs/dbraw/zinc/74/50/15/534745015.db2.gz MOGKOAVKPCVSOB-GFCCVEGCSA-N 0 0 319.386 0.160 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245927880 523941192 /nfs/dbraw/zinc/94/11/92/523941192.db2.gz IHYYKCQUQPSTMA-IMJJTQAJSA-N 0 0 319.405 0.948 10 0 DCAERN CN1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000111575841 523958399 /nfs/dbraw/zinc/95/83/99/523958399.db2.gz ALCXYMNSADRACZ-NSHDSACASA-N 0 0 316.361 0.278 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(-c2cnn(C)c2)no1 ZINC000185527497 523981085 /nfs/dbraw/zinc/98/10/85/523981085.db2.gz VPGBXTGBOWELQQ-ZWNOBZJWSA-N 0 0 306.322 0.183 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000155835014 524022451 /nfs/dbraw/zinc/02/24/51/524022451.db2.gz ZZTWJFBGDGPKPM-LLVKDONJSA-N 0 0 309.366 0.479 10 0 DCAERN COCCO[C@H]1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000189743890 524036959 /nfs/dbraw/zinc/03/69/59/524036959.db2.gz MSTXXKOKRHGXNC-KBPBESRZSA-N 0 0 322.409 0.571 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCc1nc(CSC)no1 ZINC000126513072 524082312 /nfs/dbraw/zinc/08/23/12/524082312.db2.gz OGOJTSLIPBVITQ-VIFPVBQESA-N 0 0 312.395 0.602 10 0 DCAERN C[C@@H](C(=O)NCc1cccs1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155725159 524216452 /nfs/dbraw/zinc/21/64/52/524216452.db2.gz FMXJPRXQDKIDGL-MNOVXSKESA-N 0 0 316.448 0.872 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000367726579 524316838 /nfs/dbraw/zinc/31/68/38/524316838.db2.gz SLDGTKTZESLNHP-RWMBFGLXSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@H](CN1CCN(Cc2ccon2)CC1)CS(C)(=O)=O ZINC000119436829 524346245 /nfs/dbraw/zinc/34/62/45/524346245.db2.gz VHLIEJUTKYMTOW-GFCCVEGCSA-N 0 0 301.412 0.473 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCO)[C@@H](C)C2)[C@H]1C ZINC000249570512 524397266 /nfs/dbraw/zinc/39/72/66/524397266.db2.gz ODJSBJATTXIWFQ-UGUYLWEFSA-N 0 0 311.470 0.926 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000156924042 524499455 /nfs/dbraw/zinc/49/94/55/524499455.db2.gz PGWFHUJNQACQDO-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN C[C@@H](CN1CCN(CC(C)(C)O)C[C@H]1C)CS(C)(=O)=O ZINC000249389210 524620449 /nfs/dbraw/zinc/62/04/49/524620449.db2.gz QKWRSALQOUSORW-QWHCGFSZSA-N 0 0 306.472 0.444 10 0 DCAERN C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132289868 524715781 /nfs/dbraw/zinc/71/57/81/524715781.db2.gz CTEIOFMCOBQCHI-CZUORRHYSA-N 0 0 324.396 0.814 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000266682503 524773402 /nfs/dbraw/zinc/77/34/02/524773402.db2.gz RLDZHPBDGAYSDR-CHWSQXEVSA-N 0 0 303.370 0.910 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187985338 524813314 /nfs/dbraw/zinc/81/33/14/524813314.db2.gz ASVBXSWMUZNRRL-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)n1 ZINC000270607513 524842159 /nfs/dbraw/zinc/84/21/59/524842159.db2.gz BYXUXEPEDRCVEC-RYUDHWBXSA-N 0 0 321.381 0.494 10 0 DCAERN C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1N1CCOCC1 ZINC000266130649 524888851 /nfs/dbraw/zinc/88/88/51/524888851.db2.gz DDZMLFQWINTNPB-CHWSQXEVSA-N 0 0 315.377 0.522 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cn1 ZINC000120046369 524995028 /nfs/dbraw/zinc/99/50/28/524995028.db2.gz YJGQLCDURQTYGE-ZDUSSCGKSA-N 0 0 314.349 0.784 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000366131462 525041022 /nfs/dbraw/zinc/04/10/22/525041022.db2.gz CXOMUSNSSRABGM-SDDRHHMPSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1)[C@H](C)CO ZINC000127978344 525047837 /nfs/dbraw/zinc/04/78/37/525047837.db2.gz RDFKZPOTYFXBKE-GHMZBOCLSA-N 0 0 317.349 0.339 10 0 DCAERN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)[C@H]1CCOC1 ZINC000135175398 525096268 /nfs/dbraw/zinc/09/62/68/525096268.db2.gz JYOMKAMGHHUHEU-VIFPVBQESA-N 0 0 314.363 0.204 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC000266704063 525211228 /nfs/dbraw/zinc/21/12/28/525211228.db2.gz PKLBARFKQUUBPG-MRVPVSSYSA-N 0 0 303.771 0.499 10 0 DCAERN C[C@H](N[C@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636367 525595526 /nfs/dbraw/zinc/59/55/26/525595526.db2.gz YNURHMNVNTXFMR-SWLSCSKDSA-N 0 0 319.405 0.435 10 0 DCAERN Cc1cnc(CCN(C)S(=O)(=O)N2CCOCC2)s1 ZINC000167364793 525996048 /nfs/dbraw/zinc/99/60/48/525996048.db2.gz CBFYRRKIULEIJR-UHFFFAOYSA-N 0 0 305.425 0.503 10 0 DCAERN C[C@H](c1cn(-c2ccccc2)nn1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000247668808 526163482 /nfs/dbraw/zinc/16/34/82/526163482.db2.gz YICOYXAWAZTZKN-LALPHHSUSA-N 0 0 315.377 0.903 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)c1 ZINC000163825804 526268161 /nfs/dbraw/zinc/26/81/61/526268161.db2.gz BCAOKWZUXOAHDE-QWHCGFSZSA-N 0 0 305.382 0.769 10 0 DCAERN Cc1csc(=O)n1CCC(=O)NCC1(C)OCCCO1 ZINC000191095358 526307552 /nfs/dbraw/zinc/30/75/52/526307552.db2.gz CLTVESFAJWHGLL-UHFFFAOYSA-N 0 0 300.380 0.878 10 0 DCAERN Cc1csc(C2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCCC2)n1 ZINC000155861313 526323701 /nfs/dbraw/zinc/32/37/01/526323701.db2.gz FVWMZLAKPXNRIT-VIFPVBQESA-N 0 0 322.390 0.935 10 0 DCAERN O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CC(CO)C1 ZINC000184233890 526453668 /nfs/dbraw/zinc/45/36/68/526453668.db2.gz VPJDJNXHZVOUAF-OAHLLOKOSA-N 0 0 308.353 0.650 10 0 DCAERN Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000158969722 526568382 /nfs/dbraw/zinc/56/83/82/526568382.db2.gz BSNJNMFCISJSKI-KBVBSXBZSA-N 0 0 309.366 0.886 10 0 DCAERN Cc1noc(COCC(=O)N2CCc3cc[nH]c(=O)c3C2)n1 ZINC000365203152 526625170 /nfs/dbraw/zinc/62/51/70/526625170.db2.gz NVFUGWDBYWEFHH-UHFFFAOYSA-N 0 0 304.306 0.580 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H](O)C2CCCCC2)n1 ZINC000364840122 526673654 /nfs/dbraw/zinc/67/36/54/526673654.db2.gz DICALXULFJFVSI-JHJVBQTASA-N 0 0 309.366 0.954 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000330963020 526678960 /nfs/dbraw/zinc/67/89/60/526678960.db2.gz GMHYUALPFQUKDO-LLVKDONJSA-N 0 0 322.390 0.643 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000365677422 526793008 /nfs/dbraw/zinc/79/30/08/526793008.db2.gz ZIFCHEBWMYSQAV-UHFFFAOYSA-N 0 0 300.318 0.874 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)NC[C@]1(O)CCSC1 ZINC000267089065 526803518 /nfs/dbraw/zinc/80/35/18/526803518.db2.gz UJXNHQGPJKJYGU-CQSZACIVSA-N 0 0 310.423 0.887 10 0 DCAERN O=C(NOCc1cccnc1)N1CCN(c2cccnn2)CC1 ZINC000126769221 526850311 /nfs/dbraw/zinc/85/03/11/526850311.db2.gz GKSUTXXFNZBEOU-UHFFFAOYSA-N 0 0 314.349 0.835 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C1 ZINC000126177728 526851670 /nfs/dbraw/zinc/85/16/70/526851670.db2.gz IOBICEMZRUYMFJ-KGLIPLIRSA-N 0 0 324.425 0.696 10 0 DCAERN Cc1nc(CN2CCN(C[C@H](C)CS(C)(=O)=O)CC2)no1 ZINC000119138190 526866080 /nfs/dbraw/zinc/86/60/80/526866080.db2.gz OLMKADSTSXVSND-NSHDSACASA-N 0 0 316.427 0.176 10 0 DCAERN Cc1nc(CNS(=O)(=O)CCc2ccc3c(c2)CCO3)no1 ZINC000190873687 526889980 /nfs/dbraw/zinc/88/99/80/526889980.db2.gz ORMLNUAKNWDDAA-UHFFFAOYSA-N 0 0 323.374 0.975 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@H](O)C1CCCCC1 ZINC000364838001 526920584 /nfs/dbraw/zinc/92/05/84/526920584.db2.gz BXXBTWSJYDBJSI-HUUCEWRRSA-N 0 0 324.421 0.824 10 0 DCAERN NC(=O)NC1(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000163634873 526929097 /nfs/dbraw/zinc/92/90/97/526929097.db2.gz SJPJBYREQPPMTB-LBPRGKRZSA-N 0 0 316.361 0.499 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)NC[C@H]1CCCC[C@H]1O ZINC000131030966 527098350 /nfs/dbraw/zinc/09/83/50/527098350.db2.gz AZROFESRMXEBPE-BXKDBHETSA-N 0 0 317.349 0.109 10 0 DCAERN Cn1c2ccccc2n(CCC(=O)NCC2(C)COC2)c1=O ZINC000112622263 527111874 /nfs/dbraw/zinc/11/18/74/527111874.db2.gz UFCMABZQOVDTFR-UHFFFAOYSA-N 0 0 303.362 0.883 10 0 DCAERN Cn1cc(CCCNC(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188837069 527186596 /nfs/dbraw/zinc/18/65/96/527186596.db2.gz AWCFFWYVLFYACF-UHFFFAOYSA-N 0 0 319.409 0.663 10 0 DCAERN Cn1cc(CN2CCCN(S(=O)(=O)c3ccco3)CC2)cn1 ZINC000188691587 527199937 /nfs/dbraw/zinc/19/99/37/527199937.db2.gz IZPRVQPAAVGKOV-UHFFFAOYSA-N 0 0 324.406 0.910 10 0 DCAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000113200294 527313668 /nfs/dbraw/zinc/31/36/68/527313668.db2.gz QJEFGWBLXRJXKR-MRVPVSSYSA-N 0 0 318.782 0.896 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC000162351583 527427170 /nfs/dbraw/zinc/42/71/70/527427170.db2.gz PATODZCNIWDFBH-UHFFFAOYSA-N 0 0 315.377 0.942 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2COc3ccccc3C2)C1)C1CC1 ZINC000190311227 527541931 /nfs/dbraw/zinc/54/19/31/527541931.db2.gz ZRBKZASSYKTXAG-ZDUSSCGKSA-N 0 0 315.373 0.910 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(C2CC2)CC1 ZINC000188700040 527597022 /nfs/dbraw/zinc/59/70/22/527597022.db2.gz BHURHTUWSORBND-UHFFFAOYSA-N 0 0 314.393 0.834 10 0 DCAERN Cn1nccc1CNC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000184532477 527609268 /nfs/dbraw/zinc/60/92/68/527609268.db2.gz YYAQUKIMRURXBM-LBPRGKRZSA-N 0 0 320.374 0.748 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@H](C)[C@@H]1CO ZINC000190691416 527669417 /nfs/dbraw/zinc/66/94/17/527669417.db2.gz VPOINDOPIDBELP-CBAPKCEASA-N 0 0 307.803 0.773 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000176546177 527738439 /nfs/dbraw/zinc/73/84/39/527738439.db2.gz VWODHCPVIGGVKK-RYUDHWBXSA-N 0 0 303.428 0.756 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176576703 528415046 /nfs/dbraw/zinc/41/50/46/528415046.db2.gz JSEKBOBWVYRIBX-SBKAZYGRSA-N 0 0 301.416 0.663 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000153782491 528840867 /nfs/dbraw/zinc/84/08/67/528840867.db2.gz GYCMOARAJBDZAX-WCQYABFASA-N 0 0 324.425 0.744 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccncc2)CC12COC2 ZINC000457381681 535668546 /nfs/dbraw/zinc/66/85/46/535668546.db2.gz IDFKAIIQANTSHD-CYBMUJFWSA-N 0 0 319.361 0.803 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)CC(C)(C)O1 ZINC000285593423 536783382 /nfs/dbraw/zinc/78/33/82/536783382.db2.gz UDGIKPAVTNZJDT-JTQLQIEISA-N 0 0 320.349 0.289 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284604878 536818122 /nfs/dbraw/zinc/81/81/22/536818122.db2.gz SYMQKEOBZKBEDS-UKRRQHHQSA-N 0 0 306.362 0.946 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCC(=O)NCC(F)F)c1 ZINC000457778009 536880834 /nfs/dbraw/zinc/88/08/34/536880834.db2.gz GWHXRPYWZQBWKH-UHFFFAOYSA-N 0 0 314.288 0.893 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000457717561 536881034 /nfs/dbraw/zinc/88/10/34/536881034.db2.gz VBHHCUPZOWRHJB-UHFFFAOYSA-N 0 0 320.345 0.370 10 0 DCAERN COc1ccc(S(=O)(=O)N(C)C[C@H]2CN(C)CCO2)cc1 ZINC000074774925 545671577 /nfs/dbraw/zinc/67/15/77/545671577.db2.gz LBMGGZUJXJSEHB-CYBMUJFWSA-N 0 0 314.407 0.646 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC000131636586 545792043 /nfs/dbraw/zinc/79/20/43/545792043.db2.gz KIPOJROUQOAZPL-CQSZACIVSA-N 0 0 301.350 0.831 10 0 DCAERN Cc1ccc(N2CCCN(C(=O)[C@]3(O)CCSC3)CC2)nn1 ZINC000152711222 545829127 /nfs/dbraw/zinc/82/91/27/545829127.db2.gz AZYDPJCZFCLYSZ-HNNXBMFYSA-N 0 0 322.434 0.692 10 0 DCAERN Cc1ncc(CN2CCN(c3nccn(C)c3=O)CC2)s1 ZINC000174731639 545885727 /nfs/dbraw/zinc/88/57/27/545885727.db2.gz GAJZJWQNOCBRDU-UHFFFAOYSA-N 0 0 305.407 0.867 10 0 DCAERN Cn1cc(S(=O)(=O)NCC(=O)NCC2(C)CCC2)cn1 ZINC000175079464 545886454 /nfs/dbraw/zinc/88/64/54/545886454.db2.gz YDXTUIPOLDZURZ-UHFFFAOYSA-N 0 0 300.384 0.005 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)NCCc1cc(F)ccc1F ZINC000177116605 545890290 /nfs/dbraw/zinc/89/02/90/545890290.db2.gz QVRROAVMOMSDHM-NSHDSACASA-N 0 0 311.288 0.612 10 0 DCAERN CCNC(=O)C1CN(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000178212196 545895176 /nfs/dbraw/zinc/89/51/76/545895176.db2.gz NIWQATLSCVSBLY-UHFFFAOYSA-N 0 0 314.271 0.715 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000178848271 545896808 /nfs/dbraw/zinc/89/68/08/545896808.db2.gz WHNQJZTXIIWGEI-LBPRGKRZSA-N 0 0 323.397 0.023 10 0 DCAERN COCC(=O)N(C)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000179598012 545899416 /nfs/dbraw/zinc/89/94/16/545899416.db2.gz BUODGNLCIGYFDR-CYBMUJFWSA-N 0 0 308.378 0.813 10 0 DCAERN O=C(N[C@H]1CCOC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183049191 545906390 /nfs/dbraw/zinc/90/63/90/545906390.db2.gz JBJXXZOGIOXYJT-WCQYABFASA-N 0 0 304.350 0.665 10 0 DCAERN O=C(Cn1cnc(NCc2cncnc2)n1)NCc1ccccc1 ZINC000188008797 545917383 /nfs/dbraw/zinc/91/73/83/545917383.db2.gz RUWDSQQGINOLAN-UHFFFAOYSA-N 0 0 323.360 0.997 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1coc(Br)c1 ZINC000188996728 545919406 /nfs/dbraw/zinc/91/94/06/545919406.db2.gz XNQAFVIDARJLAP-UHFFFAOYSA-N 0 0 311.157 0.321 10 0 DCAERN CCc1cc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)n[nH]1 ZINC000190488918 545923973 /nfs/dbraw/zinc/92/39/73/545923973.db2.gz QDYDCMSLPZEIRI-UHFFFAOYSA-N 0 0 314.349 0.556 10 0 DCAERN Cc1cc(COCC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)on1 ZINC000193762413 545930932 /nfs/dbraw/zinc/93/09/32/545930932.db2.gz JZOARKYJTJFRBD-KBPBESRZSA-N 0 0 310.350 0.906 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000193328427 545931156 /nfs/dbraw/zinc/93/11/56/545931156.db2.gz ITYZVTSTFNTYBS-NEPJUHHUSA-N 0 0 318.377 0.797 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000226926568 545944567 /nfs/dbraw/zinc/94/45/67/545944567.db2.gz RTQMRGJLUQMCCV-UPJWGTAASA-N 0 0 315.439 0.564 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246045350 545962730 /nfs/dbraw/zinc/96/27/30/545962730.db2.gz SQMCZHDYFLIDJW-KGLIPLIRSA-N 0 0 318.439 0.292 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC[C@H]1COCCO1 ZINC000332797640 546061281 /nfs/dbraw/zinc/06/12/81/546061281.db2.gz MMXRRMXLMPIEDA-SRVKXCTJSA-N 0 0 316.423 0.466 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000332873618 546064496 /nfs/dbraw/zinc/06/44/96/546064496.db2.gz BSPPKDTWPZMIQM-WZRBSPASSA-N 0 0 307.398 0.968 10 0 DCAERN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@H]21 ZINC000332966702 546067325 /nfs/dbraw/zinc/06/73/25/546067325.db2.gz UZZMMVZNODUWFF-BARDWOONSA-N 0 0 321.421 0.509 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@H]1CCCC[C@@H]1CO)CCCC2 ZINC000333536116 546083953 /nfs/dbraw/zinc/08/39/53/546083953.db2.gz KBFKGRVJZXQFFP-NEPJUHHUSA-N 0 0 307.394 0.804 10 0 DCAERN O=C1N[C@H](CC2CC2)C(=O)N1Cc1ncc2c(n1)CCOC2 ZINC000348369716 546153629 /nfs/dbraw/zinc/15/36/29/546153629.db2.gz QQGQMHBCNNWZLI-GFCCVEGCSA-N 0 0 302.334 0.770 10 0 DCAERN Cc1nc(C)c(Br)c(NC[C@@H](C)S(N)(=O)=O)n1 ZINC000398217190 546223739 /nfs/dbraw/zinc/22/37/39/546223739.db2.gz AWXDFONVTQLKAA-RXMQYKEDSA-N 0 0 323.216 0.367 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@](CO)(OC)C2)c1 ZINC000401914066 546225960 /nfs/dbraw/zinc/22/59/60/546225960.db2.gz ZGIBUXUVLPSPLT-GFCCVEGCSA-N 0 0 303.384 0.065 10 0 DCAERN C[C@H](O)[C@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000446814743 546258558 /nfs/dbraw/zinc/25/85/58/546258558.db2.gz ZCPAWIOTRDGCQN-PUTJDCORSA-N 0 0 320.345 0.994 10 0 DCAERN COCC(=O)NC1CN(C[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000668232868 546712900 /nfs/dbraw/zinc/71/29/00/546712900.db2.gz GZABOXQEKRHOGQ-SWLSCSKDSA-N 0 0 322.409 0.335 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2cccnc2F)C1=O ZINC000722349204 660909776 /nfs/dbraw/zinc/90/97/76/660909776.db2.gz NKDMUTIKWIBQLH-VIFPVBQESA-N 0 0 301.343 0.510 10 0 DCAERN CN(C)C(=O)CCNC(=O)COCC(=O)N1CCCCCC1 ZINC000223296410 661157908 /nfs/dbraw/zinc/15/79/08/661157908.db2.gz XFBOZMVQJWFTDZ-UHFFFAOYSA-N 0 0 313.398 0.000 10 0 DCAERN Cc1ncccc1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095086 661165019 /nfs/dbraw/zinc/16/50/19/661165019.db2.gz IFDSBCYKOVJZNX-ZQIUZPCESA-N 0 0 317.389 0.875 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccon2)n(C)c1=O ZINC000888099436 661178128 /nfs/dbraw/zinc/17/81/28/661178128.db2.gz ZJMGZBFVNCUFEH-GHMZBOCLSA-N 0 0 319.365 0.638 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000187821070 661230658 /nfs/dbraw/zinc/23/06/58/661230658.db2.gz XAMFJPQFARIKPH-WDEREUQCSA-N 0 0 312.391 0.535 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000228553380 661270215 /nfs/dbraw/zinc/27/02/15/661270215.db2.gz WNVGDUFWVLPGQW-QMMMGPOBSA-N 0 0 307.803 0.855 10 0 DCAERN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000170895516 665462582 /nfs/dbraw/zinc/46/25/82/665462582.db2.gz LCPTURNAYLZDMX-RNCFNFMXSA-N 0 0 316.279 0.689 10 0 DCAERN CCOC(=O)C1(CNC(=O)NCC[S@@](=O)CC)CCC1 ZINC000740918149 667754406 /nfs/dbraw/zinc/75/44/06/667754406.db2.gz YLIDWDPWZKDEEC-FQEVSTJZSA-N 0 0 304.412 0.788 10 0 DCAERN CC(C)(CNC(=O)c1nccnc1Cl)CS(C)(=O)=O ZINC000723860554 657672787 /nfs/dbraw/zinc/67/27/87/657672787.db2.gz CIVPPIQZGPHULS-UHFFFAOYSA-N 0 0 305.787 0.931 10 0 DCAERN COc1cc(OC)nc(NCC(C)(C)CS(C)(=O)=O)n1 ZINC000723879201 657702092 /nfs/dbraw/zinc/70/20/92/657702092.db2.gz MBYQPSUPKQQJSI-UHFFFAOYSA-N 0 0 303.384 0.977 10 0 DCAERN CON(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000146123421 657703744 /nfs/dbraw/zinc/70/37/44/657703744.db2.gz NCVBKCREHYSFHY-SECBINFHSA-N 0 0 324.399 0.334 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCN1CCOC(C)(C)C1 ZINC000725729297 657848442 /nfs/dbraw/zinc/84/84/42/657848442.db2.gz QXYONAZVBZTTGA-GFCCVEGCSA-N 0 0 315.439 0.135 10 0 DCAERN CCN(C(=O)C[C@H]1CNCCS1(=O)=O)C1CCCCC1 ZINC000725015906 658020757 /nfs/dbraw/zinc/02/07/57/658020757.db2.gz AAVFMMLLEXUYFG-ZDUSSCGKSA-N 0 0 302.440 0.944 10 0 DCAERN CCC1CCC(NC(=O)C[C@@H]2CNCCS2(=O)=O)CC1 ZINC000725019003 658022192 /nfs/dbraw/zinc/02/21/92/658022192.db2.gz UYZYJUNIXVWYBJ-WXRRBKDZSA-N 0 0 302.440 0.848 10 0 DCAERN CO[C@H]1CC[C@@H]1N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000724182698 658035713 /nfs/dbraw/zinc/03/57/13/658035713.db2.gz KAXPFHBPFNVOAI-UWVGGRQHSA-N 0 0 318.420 0.574 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H](CCO)C1CCCC1 ZINC000725033736 658039948 /nfs/dbraw/zinc/03/99/48/658039948.db2.gz SFKZOCZXOCFCGJ-WCQYABFASA-N 0 0 303.424 0.869 10 0 DCAERN COc1ccc(NNC(=O)[C@H](C)NC(=O)c2ccco2)nc1 ZINC000159582571 658075137 /nfs/dbraw/zinc/07/51/37/658075137.db2.gz CFINWBKUVVCDNJ-VIFPVBQESA-N 0 0 304.306 0.945 10 0 DCAERN Cc1c(F)cccc1NC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725054362 658089774 /nfs/dbraw/zinc/08/97/74/658089774.db2.gz CWAPIAPRUHKEKN-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1cccc(F)c1 ZINC000725058765 658091214 /nfs/dbraw/zinc/09/12/14/658091214.db2.gz HGTOPRXQBNIDGL-GFCCVEGCSA-N 0 0 300.355 0.219 10 0 DCAERN CC1(C)CO[C@H](CC(=O)NCC2(S(N)(=O)=O)CCC2)C1 ZINC000721575322 658126332 /nfs/dbraw/zinc/12/63/32/658126332.db2.gz FNPMHUYJJFSAOW-SNVBAGLBSA-N 0 0 304.412 0.519 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC000725113110 658144687 /nfs/dbraw/zinc/14/46/87/658144687.db2.gz VOIXGHYOJPPHMY-MNOVXSKESA-N 0 0 305.421 0.729 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000260911219 658409265 /nfs/dbraw/zinc/40/92/65/658409265.db2.gz SRTLHRXLTQPCAC-VIFPVBQESA-N 0 0 307.368 0.584 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000081122176 658445968 /nfs/dbraw/zinc/44/59/68/658445968.db2.gz CWQDYFURYSFGHB-UHFFFAOYSA-N 0 0 311.385 0.485 10 0 DCAERN Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000089752787 658456513 /nfs/dbraw/zinc/45/65/13/658456513.db2.gz SQJDVZBCIIXWLM-JTQLQIEISA-N 0 0 310.737 0.949 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1n[n-]c2ccccc2c1=O ZINC000175711513 658675271 /nfs/dbraw/zinc/67/52/71/658675271.db2.gz SVMWSHDLXZHBTJ-NSHDSACASA-N 0 0 310.317 0.780 10 0 DCAERN CCCc1nc(CN2CCC[C@@](O)(Cc3nncn3C)C2)no1 ZINC000888077258 658716760 /nfs/dbraw/zinc/71/67/60/658716760.db2.gz XDHJBLCDXTVWNU-OAHLLOKOSA-N 0 0 320.397 0.720 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)OCCn1cncn1 ZINC000181524920 665610077 /nfs/dbraw/zinc/61/00/77/665610077.db2.gz ZHOMGWYKROPONH-UHFFFAOYSA-N 0 0 302.294 0.425 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000181420577 659047430 /nfs/dbraw/zinc/04/74/30/659047430.db2.gz OIWDZVURCFDYBD-PSKZRQQASA-N 0 0 300.314 0.898 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CCN1 ZINC000187154792 659295627 /nfs/dbraw/zinc/29/56/27/659295627.db2.gz SELXYFOHYXOLIG-SECBINFHSA-N 0 0 314.798 0.970 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(C=O)cc1 ZINC000053317106 659343662 /nfs/dbraw/zinc/34/36/62/659343662.db2.gz HMAYYVRCFOAJTC-YPMHNXCESA-N 0 0 304.346 0.990 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c(Cl)n1 ZINC000193902690 659466141 /nfs/dbraw/zinc/46/61/41/659466141.db2.gz PSJRJNRQBKUNAJ-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN CNC(=O)Cc1nc(Cn2nc(Cl)sc2=O)cs1 ZINC000194652871 659511320 /nfs/dbraw/zinc/51/13/20/659511320.db2.gz IVRIAGKYSSOELP-UHFFFAOYSA-N 0 0 304.784 0.752 10 0 DCAERN C[C@@H](Cn1cccn1)OC(=O)CCN1CCCS1(=O)=O ZINC000176255603 659666603 /nfs/dbraw/zinc/66/66/03/659666603.db2.gz NQZPDIADBAOCEV-NSHDSACASA-N 0 0 301.368 0.240 10 0 DCAERN C=CCNC(=O)CN1CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000026910351 659795980 /nfs/dbraw/zinc/79/59/80/659795980.db2.gz WLTJSLXWLIFZOJ-INIZCTEOSA-N 0 0 321.396 0.779 10 0 DCAERN C[C@@H]([NH3+])CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000178640115 661438880 /nfs/dbraw/zinc/43/88/80/661438880.db2.gz BINZNETXTLPSFL-SNVBAGLBSA-N 0 0 320.418 0.929 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)N1CCOCC(F)(F)C1 ZINC000585085311 661460824 /nfs/dbraw/zinc/46/08/24/661460824.db2.gz MFSHVHJGSWMKIR-UHFFFAOYSA-N 0 0 315.324 0.444 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2)n1)C(C)C ZINC000178692970 661469689 /nfs/dbraw/zinc/46/96/89/661469689.db2.gz QGDILEUVACJIAF-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN COc1ccc(OC)c2c1CN(Cc1noc(CN)n1)C[C@@H]2O ZINC000261776179 661641716 /nfs/dbraw/zinc/64/17/16/661641716.db2.gz PEVVZIGRFFIMJR-JTQLQIEISA-N 0 0 320.349 0.595 10 0 DCAERN COc1ccc(OC)c2c1CN(Cc1noc(CN)n1)C[C@H]2O ZINC000261776183 661641920 /nfs/dbraw/zinc/64/19/20/661641920.db2.gz PEVVZIGRFFIMJR-SNVBAGLBSA-N 0 0 320.349 0.595 10 0 DCAERN O=C(c1ccnnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000178985561 662084320 /nfs/dbraw/zinc/08/43/20/662084320.db2.gz VLEWRUNXCXGRFQ-INIZCTEOSA-N 0 0 312.373 0.968 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)cn1 ZINC000179076823 662449313 /nfs/dbraw/zinc/44/93/13/662449313.db2.gz POEHHIGIYWJMKN-LLVKDONJSA-N 0 0 309.370 0.118 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)C1(C(=O)NC2CC2)CCC1 ZINC000729737371 662908226 /nfs/dbraw/zinc/90/82/26/662908226.db2.gz ULRIOSJJZVHUSZ-UHFFFAOYSA-N 0 0 308.378 0.847 10 0 DCAERN C[S@](=O)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000730093741 663043993 /nfs/dbraw/zinc/04/39/93/663043993.db2.gz FLDXJQBPGPBGNZ-DMZKTXOQSA-N 0 0 324.402 0.912 10 0 DCAERN CO[C@]1(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CCOC1 ZINC000899083532 663122852 /nfs/dbraw/zinc/12/28/52/663122852.db2.gz BUCFZHVHMOEESI-IUODEOHRSA-N 0 0 306.366 0.734 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)[C@H](C)O ZINC000346514659 663206013 /nfs/dbraw/zinc/20/60/13/663206013.db2.gz PVKHHPPTUFXGPF-RQJHMYQMSA-N 0 0 319.155 0.657 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H](C)c1ccccc1 ZINC000031467024 663583405 /nfs/dbraw/zinc/58/34/05/663583405.db2.gz MVDBPEWKOQIJAB-HNNXBMFYSA-N 0 0 311.385 0.548 10 0 DCAERN CNc1nc(C)ccc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000908100456 663733644 /nfs/dbraw/zinc/73/36/44/663733644.db2.gz IBYWJSIKICHBEM-NEPJUHHUSA-N 0 0 303.366 0.670 10 0 DCAERN C[C@](O)(CC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1ccccc1 ZINC000909176425 663783789 /nfs/dbraw/zinc/78/37/89/663783789.db2.gz ZABWGGSHZBFOAE-WTTBNOFXSA-N 0 0 315.373 0.971 10 0 DCAERN O=C(c1ccc(Cn2ccnn2)cc1)N1CCOC[C@H]1CO ZINC000912416914 664173517 /nfs/dbraw/zinc/17/35/17/664173517.db2.gz PSTLAANSBLJHLC-CQSZACIVSA-N 0 0 302.334 0.160 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@H]2CO)c(C)n1-c1cnn(C)c1 ZINC000912418936 664173833 /nfs/dbraw/zinc/17/38/33/664173833.db2.gz YSCRQMPVFBEPKT-CQSZACIVSA-N 0 0 318.377 0.661 10 0 DCAERN O=C(CCCn1c(=O)oc2ccccc21)N1CCOC[C@@H]1CO ZINC000912427779 664175231 /nfs/dbraw/zinc/17/52/31/664175231.db2.gz PZQSDQXPYCMUEM-LBPRGKRZSA-N 0 0 320.345 0.594 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)[C@H]1CCCO1 ZINC000223625353 664418103 /nfs/dbraw/zinc/41/81/03/664418103.db2.gz WMTYMOKBMGUUCV-CQSZACIVSA-N 0 0 312.410 0.411 10 0 DCAERN CCOC(=O)C1CCN(C(=O)c2nn3c(c2C)OCC3)CC1 ZINC000223833691 664423740 /nfs/dbraw/zinc/42/37/40/664423740.db2.gz QAGZRNISBANRON-UHFFFAOYSA-N 0 0 307.350 0.999 10 0 DCAERN COc1ccnc(N2CCN(Cn3ncn(C)c3=S)CC2)n1 ZINC000057091898 664425514 /nfs/dbraw/zinc/42/55/14/664425514.db2.gz XNQNFLLSRUPROY-UHFFFAOYSA-N 0 0 321.410 0.529 10 0 DCAERN CCOC(=O)N1CCN(c2ncnc3c2NC(=O)[C@@H](C)N3)CC1 ZINC000223981480 664428014 /nfs/dbraw/zinc/42/80/14/664428014.db2.gz GJCPLNPABYISIL-SECBINFHSA-N 0 0 320.353 0.508 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2CO)c1 ZINC000168255231 664521571 /nfs/dbraw/zinc/52/15/71/664521571.db2.gz KGCDHAFUUISIIH-LBPRGKRZSA-N 0 0 313.375 0.661 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N1CCOC[C@H]1CO ZINC000168611530 664526653 /nfs/dbraw/zinc/52/66/53/664526653.db2.gz MBRPZOYBVWDZNK-LLVKDONJSA-N 0 0 300.380 0.744 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@@H](Cc3noc(C)n3)C2)nn1 ZINC000171357592 664607596 /nfs/dbraw/zinc/60/75/96/664607596.db2.gz OOCSPFLYJQBLKN-NSHDSACASA-N 0 0 320.353 0.668 10 0 DCAERN CCONC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000171582639 664610313 /nfs/dbraw/zinc/61/03/13/664610313.db2.gz YFNUGKAEZIPNGI-GFCCVEGCSA-N 0 0 312.414 0.712 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1ccccn1 ZINC000172404483 664620854 /nfs/dbraw/zinc/62/08/54/664620854.db2.gz YAXHKXGKOVVHEU-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN COC1CC(NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000230658257 664623442 /nfs/dbraw/zinc/62/34/42/664623442.db2.gz QYQALMLKGANXDR-UHFFFAOYSA-N 0 0 304.393 0.232 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000172612256 664623806 /nfs/dbraw/zinc/62/38/06/664623806.db2.gz XMDHOFCYDIBOTB-JGVFFNPUSA-N 0 0 320.802 0.396 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)no1 ZINC000173684614 664630668 /nfs/dbraw/zinc/63/06/68/664630668.db2.gz BZMFIWAVPNQNTO-NSHDSACASA-N 0 0 310.379 0.452 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCC[C@H]1O ZINC000089162834 664726669 /nfs/dbraw/zinc/72/66/69/664726669.db2.gz WLRWWNKMZDDQOP-GMTAPVOTSA-N 0 0 307.437 0.184 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000271447366 664870552 /nfs/dbraw/zinc/87/05/52/664870552.db2.gz UBWPXUZFHFJGFA-UHFFFAOYSA-N 0 0 318.333 0.107 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCOC[C@H]1CCOC1 ZINC000731652906 664875520 /nfs/dbraw/zinc/87/55/20/664875520.db2.gz RJGFYQRLCCNFQE-NWDGAFQWSA-N 0 0 302.396 0.077 10 0 DCAERN CC[C@@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000731736416 664881052 /nfs/dbraw/zinc/88/10/52/664881052.db2.gz PIVNHSUKAULUHA-GFCCVEGCSA-N 0 0 320.345 0.999 10 0 DCAERN CN1CCCc2cc(NC(=O)CN3CCC(=O)NC3=O)ccc21 ZINC000731979966 664896256 /nfs/dbraw/zinc/89/62/56/664896256.db2.gz ORSITSNLECUGDL-UHFFFAOYSA-N 0 0 316.361 0.949 10 0 DCAERN O=C(N1CCO[C@H](Cn2cccn2)C1)C(F)(F)C1(O)CCC1 ZINC000155181076 665257022 /nfs/dbraw/zinc/25/70/22/665257022.db2.gz NKDQUBYKYUADQG-NSHDSACASA-N 0 0 315.320 0.661 10 0 DCAERN C[C@@H](CCn1cccn1)OC(=O)CCN1CCCS1(=O)=O ZINC000183876742 666134486 /nfs/dbraw/zinc/13/44/86/666134486.db2.gz RPKPWSUEBGOGEC-LBPRGKRZSA-N 0 0 315.395 0.631 10 0 DCAERN O=C1c2ccccc2C(=O)N1CN1CCO[C@@]2(CCOC2)C1 ZINC000184286655 666193876 /nfs/dbraw/zinc/19/38/76/666193876.db2.gz KPIPMAWHQJMXAU-INIZCTEOSA-N 0 0 302.330 0.731 10 0 DCAERN C[C@H]1OCC[C@@H]1OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000184705571 666260795 /nfs/dbraw/zinc/26/07/95/666260795.db2.gz GAUGMHBRSLYUPH-KGLIPLIRSA-N 0 0 305.378 0.924 10 0 DCAERN O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185104442 666333707 /nfs/dbraw/zinc/33/37/07/666333707.db2.gz VSZHATRCCWOICP-QMMMGPOBSA-N 0 0 322.243 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000733878052 666823326 /nfs/dbraw/zinc/82/33/26/666823326.db2.gz FBHHMXKNWYTYHW-MPBGBICISA-N 0 0 300.424 0.520 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)NCC[S@](=O)CC ZINC000733963113 666832818 /nfs/dbraw/zinc/83/28/18/666832818.db2.gz UKGUCMPECHAHJV-GIGQVBGESA-N 0 0 308.469 0.519 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000734512592 666884660 /nfs/dbraw/zinc/88/46/60/666884660.db2.gz LEYJEOPPRYISPU-NRFANRHFSA-N 0 0 309.347 0.460 10 0 DCAERN CCOCCN1CCN(CCS(=O)(=O)CC)C[C@@H]1CC ZINC000118398155 666949028 /nfs/dbraw/zinc/94/90/28/666949028.db2.gz DKWSNZYDWIOKJN-AWEZNQCLSA-N 0 0 306.472 0.854 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCC(=O)N1CCCCC1 ZINC000735091770 666950517 /nfs/dbraw/zinc/95/05/17/666950517.db2.gz QSHPOIAFFWHGDJ-HXUWFJFHSA-N 0 0 303.428 0.457 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1cccnc1-n1cccn1 ZINC000735098546 666951654 /nfs/dbraw/zinc/95/16/54/666951654.db2.gz VOMOAHWVKTWBRU-QFIPXVFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(=O)OCc1ccccc1 ZINC000735111697 666954602 /nfs/dbraw/zinc/95/46/02/666954602.db2.gz ODBPEIJOBISWMS-OAQYLSRUSA-N 0 0 312.391 0.798 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)NCC[S@](C)=O)c2O ZINC000735115636 666955476 /nfs/dbraw/zinc/95/54/76/666955476.db2.gz KLPJRIJTODYVLA-NRFANRHFSA-N 0 0 308.359 0.645 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)C[C@@H](C)n2cccc2)CC1 ZINC000735139515 666959381 /nfs/dbraw/zinc/95/93/81/666959381.db2.gz JXFYOIPPJRIXHB-CYBMUJFWSA-N 0 0 321.377 0.673 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000735199237 666966430 /nfs/dbraw/zinc/96/64/30/666966430.db2.gz MOOIFALWIOIEEZ-QFIPXVFZSA-N 0 0 324.402 0.835 10 0 DCAERN COCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815991 666998931 /nfs/dbraw/zinc/99/89/31/666998931.db2.gz VIHUJQDVMVJZEQ-QWRGUYRKSA-N 0 0 302.371 0.367 10 0 DCAERN Cn1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC000702815892 666999028 /nfs/dbraw/zinc/99/90/28/666999028.db2.gz ALUDOJDVXFVSTL-PWSUYJOCSA-N 0 0 324.381 0.378 10 0 DCAERN CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815831 666999200 /nfs/dbraw/zinc/99/92/00/666999200.db2.gz UJNXENSVSWFUQW-OUAUKWLOSA-N 0 0 302.371 0.365 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NCc2cc3n(n2)CCCC3)cn1 ZINC000862495623 667046449 /nfs/dbraw/zinc/04/64/49/667046449.db2.gz BTZSJJIRIUSEBT-JKSUJKDBSA-N 0 0 317.393 0.889 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2ccccn2)c(=O)n(C)c1=O ZINC000014897599 667205659 /nfs/dbraw/zinc/20/56/59/667205659.db2.gz HRDDDGGIILDVFQ-VOTSOKGWSA-N 0 0 301.302 0.236 10 0 DCAERN C[C@@H]1CN(Cn2nnc3ccccc3c2=S)C[C@H](C(N)=O)O1 ZINC000120198724 667275499 /nfs/dbraw/zinc/27/54/99/667275499.db2.gz YNNNRXLYJMUBBL-BXKDBHETSA-N 0 0 319.390 0.693 10 0 DCAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=O)C[C@@H](C(N)=O)O1 ZINC000120284180 667294230 /nfs/dbraw/zinc/29/42/30/667294230.db2.gz VVYQZJNUALNGGM-PWSUYJOCSA-N 0 0 318.333 0.035 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NC[C@@H]1CCCC12CC2 ZINC000706206993 667403645 /nfs/dbraw/zinc/40/36/45/667403645.db2.gz LZBZSCVAJCJUKU-RYUDHWBXSA-N 0 0 300.424 0.460 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)O[C@@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000121610539 667404905 /nfs/dbraw/zinc/40/49/05/667404905.db2.gz IMXNOQWOIAKTOV-MBNYWOFBSA-N 0 0 307.350 0.662 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@H](S(N)(=O)=O)C2)c(Cl)n1 ZINC000707203171 667436121 /nfs/dbraw/zinc/43/61/21/667436121.db2.gz DSJRAGYUVNCPNN-QMMMGPOBSA-N 0 0 303.771 0.546 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221561 667442304 /nfs/dbraw/zinc/44/23/04/667442304.db2.gz ODBUWRHDYPGGBE-ZJUUUORDSA-N 0 0 302.396 0.414 10 0 DCAERN Cc1ccc(O)cc1C(=O)NC(C)(C)CNS(C)(=O)=O ZINC000708262543 667442409 /nfs/dbraw/zinc/44/24/09/667442409.db2.gz HDXOZKWEWBJKFX-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2C)C1=O ZINC000709121192 667444055 /nfs/dbraw/zinc/44/40/55/667444055.db2.gz WMUPVSDQIHQQHS-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1csc(Br)n1 ZINC000709610079 667445612 /nfs/dbraw/zinc/44/56/12/667445612.db2.gz IYSOWMUVYZGXRK-BYPYZUCNSA-N 0 0 318.152 0.441 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC(C)=O)c1 ZINC000135202319 667578945 /nfs/dbraw/zinc/57/89/45/667578945.db2.gz QFYJXTNWGKQRPW-UHFFFAOYSA-N 0 0 312.391 0.954 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000135579454 667611630 /nfs/dbraw/zinc/61/16/30/667611630.db2.gz CZHVEUGRGBXXGV-SNVBAGLBSA-N 0 0 318.420 0.852 10 0 DCAERN COC(=O)c1ccc(=O)n(CN(C[C@@H](C)C(=O)OC)C2CC2)n1 ZINC000739854409 667721004 /nfs/dbraw/zinc/72/10/04/667721004.db2.gz UGVKEYFOMSKVHJ-SNVBAGLBSA-N 0 0 323.349 0.261 10 0 DCAERN Nc1cc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)ccn1 ZINC000886071730 667728564 /nfs/dbraw/zinc/72/85/64/667728564.db2.gz BPNPHUBMLDCDEO-HNNXBMFYSA-N 0 0 306.366 0.025 10 0 DCAERN CC(C)n1ccc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071992 667728764 /nfs/dbraw/zinc/72/87/64/667728764.db2.gz VHDBIWNCDHUYFC-MRXNPFEDSA-N 0 0 322.409 0.825 10 0 DCAERN COCCOC1CN(C(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)C1 ZINC000886088901 667730673 /nfs/dbraw/zinc/73/06/73/667730673.db2.gz OVPORFFVSQVVNG-CHWSQXEVSA-N 0 0 309.366 0.751 10 0 DCAERN CCn1nc(C)c(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886088292 667731058 /nfs/dbraw/zinc/73/10/58/667731058.db2.gz GHTAZNRJQXFBQH-HNNXBMFYSA-N 0 0 319.413 0.305 10 0 DCAERN O=C(NC[C@@H](O)C(F)(F)F)c1c[nH]nc1C1CCOCC1 ZINC000886088635 667731168 /nfs/dbraw/zinc/73/11/68/667731168.db2.gz LUUCFVATLXLXTJ-SECBINFHSA-N 0 0 307.272 0.957 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)NC[C@H](O)C(F)(F)F ZINC000741414213 667770483 /nfs/dbraw/zinc/77/04/83/667770483.db2.gz SRZPHBZETMARHA-ZDVLTJLQSA-N 0 0 304.334 0.756 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000741423013 667771113 /nfs/dbraw/zinc/77/11/13/667771113.db2.gz PINCNPOTWRQHOL-GTJPDFRWSA-N 0 0 314.411 0.952 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000742658063 667796449 /nfs/dbraw/zinc/79/64/49/667796449.db2.gz KFIIORODQPXGNQ-SAHAZLINSA-N 0 0 321.406 0.786 10 0 DCAERN COC[C@](C)(NC(=O)CSc1nncn1C)C(F)(F)F ZINC000742900952 667801026 /nfs/dbraw/zinc/80/10/26/667801026.db2.gz VYPDAWHGBCMGSR-VIFPVBQESA-N 0 0 312.317 0.991 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1nccn1C ZINC000123652913 667827836 /nfs/dbraw/zinc/82/78/36/667827836.db2.gz XAQHVONNYHSRPU-NSHDSACASA-N 0 0 315.395 0.668 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000222885949 667885000 /nfs/dbraw/zinc/88/50/00/667885000.db2.gz IYZJBNLOASFNIG-YRGRVCCFSA-N 0 0 314.407 0.664 10 0 DCAERN Cc1cc(-c2nnc(SCc3nnnn3C(C)C)n2N)n[nH]1 ZINC000125625428 668384707 /nfs/dbraw/zinc/38/47/07/668384707.db2.gz JRXNNHNLRFENHV-UHFFFAOYSA-N 0 0 320.386 0.550 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000125629320 668385103 /nfs/dbraw/zinc/38/51/03/668385103.db2.gz ZMSZXLJCIRGJGE-AWEZNQCLSA-N 0 0 301.346 0.896 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1ccccc1F ZINC000126441609 668594108 /nfs/dbraw/zinc/59/41/08/668594108.db2.gz DCDMQOGVQSIPHP-GFCCVEGCSA-N 0 0 314.382 0.261 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1cccc(Cl)c1 ZINC000126489742 668612782 /nfs/dbraw/zinc/61/27/82/668612782.db2.gz KJALUTQHVAJSCQ-GFCCVEGCSA-N 0 0 316.810 0.733 10 0 DCAERN C[C@H](Cc1cccs1)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126529581 668621082 /nfs/dbraw/zinc/62/10/82/668621082.db2.gz PENWAGGZPLUHLK-GHMZBOCLSA-N 0 0 316.448 0.572 10 0 DCAERN CCOc1cccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126562247 668626922 /nfs/dbraw/zinc/62/69/22/668626922.db2.gz RQMVSSSTLWJMMC-LBPRGKRZSA-N 0 0 312.391 0.801 10 0 DCAERN C[C@@H](c1ccccc1)N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126576944 668627073 /nfs/dbraw/zinc/62/70/73/668627073.db2.gz NTLTVPCHQUNFKP-JSGCOSHPSA-N 0 0 310.419 0.983 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2[nH]ccc2c1 ZINC000126660451 668640137 /nfs/dbraw/zinc/64/01/37/668640137.db2.gz RJIBJCPWESFCSP-LBPRGKRZSA-N 0 0 307.375 0.883 10 0 DCAERN CNC(=O)c1nc(C2CCN([C@@H](C)c3ncccn3)CC2)n[nH]1 ZINC000930770836 669078064 /nfs/dbraw/zinc/07/80/64/669078064.db2.gz KVAIFLDDEBNAMY-JTQLQIEISA-N 0 0 315.381 0.895 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C\CO)N1Cc1ccccc1 ZINC000880672324 669256566 /nfs/dbraw/zinc/25/65/66/669256566.db2.gz VQKKMLOOQFFFDY-ZYOQUQOHSA-N 0 0 317.389 0.170 10 0 DCAERN O=C(NCCS(=O)(=O)N1CCOCC1)NC1CCCCC1 ZINC000036111012 669259252 /nfs/dbraw/zinc/25/92/52/669259252.db2.gz XEGNVGNBOQUVIY-UHFFFAOYSA-N 0 0 319.427 0.280 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1ccc([C@H](C)O)n1)c1ccccc1 ZINC000128850871 669304119 /nfs/dbraw/zinc/30/41/19/669304119.db2.gz JKGYSFJPZJEEHY-XHDPSFHLSA-N 0 0 316.361 0.540 10 0 DCAERN O=S(=O)(/C=C\c1ccccc1)N1CCCN(CCO)CC1 ZINC000214237808 669650504 /nfs/dbraw/zinc/65/05/04/669650504.db2.gz NZVGXUVRSWVJNX-AUWJEWJLSA-N 0 0 310.419 0.987 10 0 DCAERN CS(=O)(=O)CCNS(=O)(=O)c1c(F)cccc1Cl ZINC000131272121 669663299 /nfs/dbraw/zinc/66/32/99/669663299.db2.gz FGYMHKOHIVWXBH-UHFFFAOYSA-N 0 0 315.775 0.802 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000793881717 669748884 /nfs/dbraw/zinc/74/88/84/669748884.db2.gz MQBRGWIAFVDVMD-AWEZNQCLSA-N 0 0 322.390 0.785 10 0 DCAERN C[C@H](NC(=O)C1=COCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000040214546 669820678 /nfs/dbraw/zinc/82/06/78/669820678.db2.gz YYOSAZXTUPWXTC-VIFPVBQESA-N 0 0 312.347 0.399 10 0 DCAERN Cc1cccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)n1 ZINC000048803574 669942182 /nfs/dbraw/zinc/94/21/82/669942182.db2.gz PKEXVIWXTQIMFX-LBPRGKRZSA-N 0 0 314.432 0.927 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000191439768 670025896 /nfs/dbraw/zinc/02/58/96/670025896.db2.gz IVGGXBFGQNJRQB-NSHDSACASA-N 0 0 309.288 0.616 10 0 DCAERN CCN1CN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000191531712 670052096 /nfs/dbraw/zinc/05/20/96/670052096.db2.gz ZIODPUVQEXWOJS-CYBMUJFWSA-N 0 0 312.391 0.245 10 0 DCAERN Cn1cc(CN[C@@H]2CCCCNC2=O)c(Br)n1 ZINC000712476528 670149685 /nfs/dbraw/zinc/14/96/85/670149685.db2.gz NBMMJQVCKCJQDO-SECBINFHSA-N 0 0 301.188 0.941 10 0 DCAERN CC(C)[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)C(N)=O ZINC000189544025 670126708 /nfs/dbraw/zinc/12/67/08/670126708.db2.gz IBFOGLHSTASEGK-JTQLQIEISA-N 0 0 309.370 0.203 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000192222429 670139441 /nfs/dbraw/zinc/13/94/41/670139441.db2.gz FKMUDKMTHKMFLM-JTQLQIEISA-N 0 0 314.407 0.818 10 0 DCAERN COCCOC[C@H](O)CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804781 670150911 /nfs/dbraw/zinc/15/09/11/670150911.db2.gz ZAAQSZGQWBHUKO-GHMZBOCLSA-N 0 0 301.305 0.664 10 0 DCAERN CC[C@@H](CC(F)(F)F)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000714002437 670173981 /nfs/dbraw/zinc/17/39/81/670173981.db2.gz PAWWJHCXQCNEOT-ZETCQYMHSA-N 0 0 302.318 0.902 10 0 DCAERN Cn1cc(CN2CCC(O)(CO)CC2)c(Br)n1 ZINC000714081472 670177637 /nfs/dbraw/zinc/17/76/37/670177637.db2.gz JQFGZZIEBKFLHI-UHFFFAOYSA-N 0 0 304.188 0.502 10 0 DCAERN CS(=O)(=O)C1CC(N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000715293512 670207775 /nfs/dbraw/zinc/20/77/75/670207775.db2.gz HJMLPJMAXUVEQZ-RTYFJBAXSA-N 0 0 315.416 0.680 10 0 DCAERN CCn1cnc(S(=O)(=O)NC[C@H](C)CC2(C)OCCO2)c1 ZINC000716003510 670231083 /nfs/dbraw/zinc/23/10/83/670231083.db2.gz WJCJEBXUVUGWKP-LLVKDONJSA-N 0 0 317.411 0.971 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000803763372 670265222 /nfs/dbraw/zinc/26/52/22/670265222.db2.gz TTZJJHNBQSEVMR-BIOMNHJASA-N 0 0 301.306 0.519 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)ncn1 ZINC000193580676 670304191 /nfs/dbraw/zinc/30/41/91/670304191.db2.gz MNWQJKYCTOKBBF-MNOVXSKESA-N 0 0 314.336 0.908 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000190266193 670405804 /nfs/dbraw/zinc/40/58/04/670405804.db2.gz JWWZKMVWNMSJDD-CYBMUJFWSA-N 0 0 302.378 0.401 10 0 DCAERN CCn1cnc(S(=O)(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000081685151 670450637 /nfs/dbraw/zinc/45/06/37/670450637.db2.gz IMVNMCRSPCMBFT-UHFFFAOYSA-N 0 0 315.395 0.867 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@H](C)OC ZINC000195448019 670492862 /nfs/dbraw/zinc/49/28/62/670492862.db2.gz WEMLHLIWOXHKRY-JTQLQIEISA-N 0 0 312.391 0.909 10 0 DCAERN CC(C)OCCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000113472963 670731063 /nfs/dbraw/zinc/73/10/63/670731063.db2.gz GPPIYHHNZOFDSI-UHFFFAOYSA-N 0 0 308.338 0.488 10 0 DCAERN COC(=O)c1cn(CN2CCN(c3cccs3)CC2)nn1 ZINC000121599556 672297505 /nfs/dbraw/zinc/29/75/05/672297505.db2.gz LXTNPUDWFWEPAA-UHFFFAOYSA-N 0 0 307.379 0.906 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)c1Cl ZINC000396728474 685270938 /nfs/dbraw/zinc/27/09/38/685270938.db2.gz BVVXGNZSTYUPKW-SSDOTTSWSA-N 0 0 306.775 0.021 10 0 DCAERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)S(N)(=O)=O ZINC000398266063 685274696 /nfs/dbraw/zinc/27/46/96/685274696.db2.gz DXJYCEVBEZCKQD-LURJTMIESA-N 0 0 305.287 0.141 10 0 DCAERN O=C(NCc1n[nH]cc1Br)[C@@H]1CSC(=O)N1 ZINC000718828454 685305650 /nfs/dbraw/zinc/30/56/50/685305650.db2.gz BOCBRLITQPTCFO-LURJTMIESA-N 0 0 305.157 0.613 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC=CCCC1 ZINC000719045684 685307776 /nfs/dbraw/zinc/30/77/76/685307776.db2.gz CHZFLRPNGWBEBO-LBPRGKRZSA-N 0 0 301.412 0.389 10 0 DCAERN CO[C@]1(CNS(=O)(=O)C2CCC(=O)CC2)CCSC1 ZINC000719224931 685309536 /nfs/dbraw/zinc/30/95/36/685309536.db2.gz VXECEZAZKQEKJH-LBPRGKRZSA-N 0 0 307.437 0.940 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccnc1Cl)c1cn(C)nn1 ZINC000720549225 685314432 /nfs/dbraw/zinc/31/44/32/685314432.db2.gz XRDXWMBEKRITLT-SSDOTTSWSA-N 0 0 301.759 0.903 10 0 DCAERN CNC(=O)CN(CC(=O)NC)Cc1ccc(Br)o1 ZINC000720568361 685314443 /nfs/dbraw/zinc/31/44/43/685314443.db2.gz BRMDTGAFLZIKKG-UHFFFAOYSA-N 0 0 318.171 0.336 10 0 DCAERN CO[C@@]1(CN[C@H](C)C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000720874919 685316648 /nfs/dbraw/zinc/31/66/48/685316648.db2.gz QRHLLOBKSRKRKR-ZWNOBZJWSA-N 0 0 307.412 0.510 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)Nc1cc(F)cc(F)c1 ZINC000725010534 685319837 /nfs/dbraw/zinc/31/98/37/685319837.db2.gz KXMGGNYDUZBRME-LLVKDONJSA-N 0 0 304.318 0.680 10 0 DCAERN NC(=O)CCCOC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000083772448 685085197 /nfs/dbraw/zinc/08/51/97/685085197.db2.gz ODROOFOFXKAVSU-UHFFFAOYSA-N 0 0 309.713 0.738 10 0 DCAERN Cn1cc(C(=O)N2CCOc3ccccc32)c(=O)n(C)c1=O ZINC000096747089 685112184 /nfs/dbraw/zinc/11/21/84/685112184.db2.gz OWGGEVXIAAFBJA-UHFFFAOYSA-N 0 0 301.302 0.123 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C ZINC000248667823 685176138 /nfs/dbraw/zinc/17/61/38/685176138.db2.gz AFIHYADILOCNLP-MNOVXSKESA-N 0 0 316.352 0.675 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000249616083 685182933 /nfs/dbraw/zinc/18/29/33/685182933.db2.gz PMVXSCIASCXBAZ-OSMZGAPFSA-N 0 0 316.361 0.735 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)C(=O)NCC2CC2)cn1 ZINC000276538565 685195127 /nfs/dbraw/zinc/19/51/27/685195127.db2.gz ZPDILMWMAVQYOW-QWHCGFSZSA-N 0 0 306.366 0.375 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000277353342 685195368 /nfs/dbraw/zinc/19/53/68/685195368.db2.gz VXXZPTSIBJXEJF-UHFFFAOYSA-N 0 0 303.362 0.409 10 0 DCAERN CC(C)(C)CCc1noc(C[C@H]2CS(=O)(=O)CCN2)n1 ZINC000379669315 685236135 /nfs/dbraw/zinc/23/61/35/685236135.db2.gz CULFVVCAQKOPEM-JTQLQIEISA-N 0 0 301.412 0.977 10 0 DCAERN Cc1oc(C(=O)NCC[C@H](C)[S@](C)=O)cc1S(N)(=O)=O ZINC000132857489 1157605309 /nfs/dbraw/zinc/60/53/09/1157605309.db2.gz CVYKLXMHKIKZRS-ZDVLTJLQSA-N 0 0 322.408 0.122 10 0 DCAERN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCS(C)(=O)=O ZINC000380056478 1157996590 /nfs/dbraw/zinc/99/65/90/1157996590.db2.gz DPPHVSNSUIPBAC-UHFFFAOYSA-N 0 0 304.299 0.817 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000385701572 1158245226 /nfs/dbraw/zinc/24/52/26/1158245226.db2.gz LBXNLOAZXJUGAO-QJPTWQEYSA-N 0 0 321.464 0.526 10 0 DCAERN CNS(=O)(=O)CCNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000040677887 1159056924 /nfs/dbraw/zinc/05/69/24/1159056924.db2.gz QETFPWAEYCSWSA-ZHACJKMWSA-N 0 0 312.391 0.764 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000388159171 1159133035 /nfs/dbraw/zinc/13/30/35/1159133035.db2.gz SWCCAZFCQVYSNB-TXEJJXNPSA-N 0 0 301.302 0.626 10 0 DCAERN COC(=O)[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21 ZINC000042648148 1171530031 /nfs/dbraw/zinc/53/00/31/1171530031.db2.gz UANUWDAPDSRXLU-CYBMUJFWSA-N 0 0 302.334 0.985 10 0 DCAERN COc1ccc(C)cc1NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000044441104 1171568269 /nfs/dbraw/zinc/56/82/69/1171568269.db2.gz SXAVSKHARRWKSO-UHFFFAOYSA-N 0 0 303.318 0.870 10 0 DCAERN CCn1cc(S(=O)(=O)NCC[N@H+](C)CC)cc1C(=O)[O-] ZINC000054127545 1171827943 /nfs/dbraw/zinc/82/79/43/1171827943.db2.gz VMZFJXNHKKJFQX-UHFFFAOYSA-N 0 0 303.384 0.436 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](O)C(N)=O)sc1Br ZINC000228492234 1177515174 /nfs/dbraw/zinc/51/51/74/1177515174.db2.gz DERUGLDWYUVYGK-RXMQYKEDSA-N 0 0 307.169 0.395 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000134345776 1177530766 /nfs/dbraw/zinc/53/07/66/1177530766.db2.gz WGWUFPLSFZDBEP-JTQLQIEISA-N 0 0 304.372 0.131 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000227625078 1180543414 /nfs/dbraw/zinc/54/34/14/1180543414.db2.gz CKLPBKLDXCYWNQ-KOLCDFICSA-N 0 0 303.428 0.396 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000152762086 1180546215 /nfs/dbraw/zinc/54/62/15/1180546215.db2.gz MVSRYSCPEJRDOM-OLZOCXBDSA-N 0 0 309.410 0.668 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2cc(C)nn2C)CC1 ZINC000158203015 1180563531 /nfs/dbraw/zinc/56/35/31/1180563531.db2.gz UWMVQDRMUSXGCW-UHFFFAOYSA-N 0 0 308.382 0.486 10 0 DCAERN COCCC(=O)NCCNC(=O)COc1ccc(Cl)cc1 ZINC000169841950 1183609819 /nfs/dbraw/zinc/60/98/19/1183609819.db2.gz QNJAEYKGOZLHBV-UHFFFAOYSA-N 0 0 314.769 0.988 10 0 DCAERN O=C(NCCNC(=O)c1ccc(=O)[nH]n1)c1cccc(Cl)c1 ZINC000169837848 1183610378 /nfs/dbraw/zinc/61/03/78/1183610378.db2.gz UMJGLBOLGUTLMO-UHFFFAOYSA-N 0 0 320.736 0.583 10 0 DCAERN CC(=O)N1CCC(CNC(=O)CCNC(=O)c2ccco2)CC1 ZINC000170892117 1183694647 /nfs/dbraw/zinc/69/46/47/1183694647.db2.gz MUWSTFDSJSBLMG-UHFFFAOYSA-N 0 0 321.377 0.774 10 0 DCAERN COCCOC1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC000172314005 1183834519 /nfs/dbraw/zinc/83/45/19/1183834519.db2.gz BFSVZOOXKGVOQI-UHFFFAOYSA-N 0 0 319.365 0.321 10 0 DCAERN C[C@H](CNC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000174325600 1183972300 /nfs/dbraw/zinc/97/23/00/1183972300.db2.gz XTNHRMFEBNJJJU-MRVPVSSYSA-N 0 0 311.288 0.736 10 0 DCAERN Cc1noc([C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000176817389 1184222456 /nfs/dbraw/zinc/22/24/56/1184222456.db2.gz CWZKJEZPEZJTDN-WCBMZHEXSA-N 0 0 303.384 0.872 10 0 DCAERN Cc1cccn(CC(=O)NCCNC(=O)c2ccco2)c1=O ZINC000179901908 1185168329 /nfs/dbraw/zinc/16/83/29/1185168329.db2.gz HLVDLROKKOTVCK-UHFFFAOYSA-N 0 0 303.318 0.296 10 0 DCAERN CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000263051087 1185175364 /nfs/dbraw/zinc/17/53/64/1185175364.db2.gz UOGFQAHYDQRJKZ-SNVBAGLBSA-N 0 0 319.333 0.994 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc21 ZINC000181007227 1185178631 /nfs/dbraw/zinc/17/86/31/1185178631.db2.gz RDBKDNIPVGNSNN-CYBMUJFWSA-N 0 0 302.334 0.985 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000181697533 1185183050 /nfs/dbraw/zinc/18/30/50/1185183050.db2.gz UXJBCVYMTKWNEI-ZETCQYMHSA-N 0 0 313.745 0.020 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1c(O)cccc1OC ZINC000405411815 1190291710 /nfs/dbraw/zinc/29/17/10/1190291710.db2.gz UPHMYWNFPXXUCB-UHFFFAOYSA-N 0 0 302.352 0.070 10 0 DCAERN COC[C@@H](C)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307906973 1190385005 /nfs/dbraw/zinc/38/50/05/1190385005.db2.gz RUCAJTNQRSUCQK-VIFPVBQESA-N 0 0 300.380 0.685 10 0 DCAERN CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)[C@@H](C)O ZINC000307908437 1190385325 /nfs/dbraw/zinc/38/53/25/1190385325.db2.gz BJMKQJBSLLVMBZ-PELKAZGASA-N 0 0 300.380 0.562 10 0 DCAERN C[C@H]1CCN(C(=O)c2c(Br)nnn2C)C[C@@H]1O ZINC000310186481 1190389329 /nfs/dbraw/zinc/38/93/29/1190389329.db2.gz XQKDWKLNRMVZAJ-BQBZGAKWSA-N 0 0 303.160 0.421 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316550922 1190415212 /nfs/dbraw/zinc/41/52/12/1190415212.db2.gz RPFJFNGGNYYZHX-CPCISQLKSA-N 0 0 315.167 0.457 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000316615217 1190415752 /nfs/dbraw/zinc/41/57/52/1190415752.db2.gz WUDXDRHFOYBZHL-CPCISQLKSA-N 0 0 315.167 0.457 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(F)F ZINC000390438200 1190700674 /nfs/dbraw/zinc/70/06/74/1190700674.db2.gz LIMIITBMALMWBS-ZCFIWIBFSA-N 0 0 314.335 0.266 10 0 DCAERN Cc1nnc(CNS(=O)(=O)c2ccc(Cl)nc2C)[nH]1 ZINC000392545394 1190701371 /nfs/dbraw/zinc/70/13/71/1190701371.db2.gz XNYQUAXHFAQLPH-UHFFFAOYSA-N 0 0 301.759 0.948 10 0 DCAERN CC[C@@H](O)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000398486302 1190703463 /nfs/dbraw/zinc/70/34/63/1190703463.db2.gz AASCSBZJZDXFDQ-SNVBAGLBSA-N 0 0 313.441 0.034 10 0 DCAERN Cn1cc(/C=C\C(=O)OCc2cncs2)c(=O)n(C)c1=O ZINC000588458007 747313441 /nfs/dbraw/zinc/31/34/41/747313441.db2.gz CVOOFXSUSSVBSV-ARJAWSKDSA-N 0 0 307.331 0.297 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C)C(=O)[C@H]1C ZINC000588527828 747408116 /nfs/dbraw/zinc/40/81/16/747408116.db2.gz JSSCSCRITMAZSL-VXGBXAGGSA-N 0 0 319.409 0.377 10 0 DCAERN O=C(CN1C(=O)CNC1=O)NCc1ccn(C2CCCC2)n1 ZINC000156642428 772437675 /nfs/dbraw/zinc/43/76/75/772437675.db2.gz LVAZCLILBWPMJA-UHFFFAOYSA-N 0 0 305.338 0.166 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401859927 774068511 /nfs/dbraw/zinc/06/85/11/774068511.db2.gz QJXRRPXOAKVLRD-LBPRGKRZSA-N 0 0 301.343 0.367 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccnc1F ZINC000401937145 774071808 /nfs/dbraw/zinc/07/18/08/774071808.db2.gz NFEXUABKCIYFBF-DTWKUNHWSA-N 0 0 301.343 0.495 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)c1nnnn1C1CC1 ZINC000250692887 776172928 /nfs/dbraw/zinc/17/29/28/776172928.db2.gz OUMLCXWZYJSSSY-AEJSXWLSSA-N 0 0 321.385 0.412 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000398459456 939213232 /nfs/dbraw/zinc/21/32/32/939213232.db2.gz BEBVESABLUFLSE-ZETCQYMHSA-N 0 0 321.761 0.631 10 0 DCAERN O=C(c1cccc(Br)n1)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396927566 939692485 /nfs/dbraw/zinc/69/24/85/939692485.db2.gz MXUTVTIKKXEMFQ-SCZZXKLOSA-N 0 0 315.167 0.659 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000714001693 941404713 /nfs/dbraw/zinc/40/47/13/941404713.db2.gz LKZBASQKVNQCNM-UHFFFAOYSA-N 0 0 324.189 0.939 10 0 DCAERN CN(CCC(=O)[O-])S(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000689963971 976270042 /nfs/dbraw/zinc/27/00/42/976270042.db2.gz DQHWUBKLGHRBNA-JTQLQIEISA-N 0 0 307.416 0.100 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccsc2C(=O)[O-])C1 ZINC000690728657 976330118 /nfs/dbraw/zinc/33/01/18/976330118.db2.gz VUQXAEUFZXXYFS-SECBINFHSA-N 0 0 318.420 0.817 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000690818327 976338109 /nfs/dbraw/zinc/33/81/09/976338109.db2.gz QWMLETUEEKXMEM-VXGBXAGGSA-N 0 0 304.412 0.597 10 0 DCAERN CCCS(=O)(=O)CC[N@@H+]1CCCC[C@]1(COC)C(=O)[O-] ZINC000692333610 976423480 /nfs/dbraw/zinc/42/34/80/976423480.db2.gz YCBMRLUTXJRODU-ZDUSSCGKSA-N 0 0 307.412 0.767 10 0 DCAERN O=C([O-])CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1 ZINC000692456943 976489952 /nfs/dbraw/zinc/48/99/52/976489952.db2.gz XCCIADPCHRJFHS-UHFFFAOYSA-N 0 0 319.361 0.952 10 0 DCAERN C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694174984 976676161 /nfs/dbraw/zinc/67/61/61/976676161.db2.gz ASVUFUXOQFKCBO-SECBINFHSA-N 0 0 302.352 0.598 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1COc2ccccc2C1 ZINC000179244063 290612645 /nfs/dbraw/zinc/61/26/45/290612645.db2.gz YBBBEDSRGRPVAQ-CHWSQXEVSA-N 0 0 303.362 0.910 10 0 DCAERN Cc1ncc(CN(C)CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000076744638 185037905 /nfs/dbraw/zinc/03/79/05/185037905.db2.gz WRQLCJATQWOUKN-NSHDSACASA-N 0 0 310.423 0.607 10 0 DCAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000076988066 185063493 /nfs/dbraw/zinc/06/34/93/185063493.db2.gz LAUIABSGWBVUNR-UONOGXRCSA-N 0 0 317.389 0.713 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185031850 529510097 /nfs/dbraw/zinc/51/00/97/529510097.db2.gz FJXORPOTQICSDO-STQMWFEESA-N 0 0 305.444 0.104 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000176284115 282212929 /nfs/dbraw/zinc/21/29/29/282212929.db2.gz FJWWGNODHUXBJY-KBPBESRZSA-N 0 0 319.409 0.986 10 0 DCAERN C[C@@H](C(=O)Nc1c[nH]cc(Br)c1=O)S(C)(=O)=O ZINC000089990448 185275238 /nfs/dbraw/zinc/27/52/38/185275238.db2.gz VCEOZEKXUNNZLH-YFKPBYRVSA-N 0 0 323.168 0.509 10 0 DCAERN COc1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1F ZINC000090165918 185284308 /nfs/dbraw/zinc/28/43/08/185284308.db2.gz JHIBUXSIHAURES-NSHDSACASA-N 0 0 312.341 0.257 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 ZINC000189454241 529697776 /nfs/dbraw/zinc/69/77/76/529697776.db2.gz TWBONMANXIDKBP-LBPRGKRZSA-N 0 0 323.368 0.679 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092837130 185345143 /nfs/dbraw/zinc/34/51/43/185345143.db2.gz WGEUEBIZZMWTDZ-QWRGUYRKSA-N 0 0 319.365 0.709 10 0 DCAERN O=S(=O)(NC[C@]1(CCO)CCOC1)c1cccc(F)c1 ZINC000181400703 199290899 /nfs/dbraw/zinc/29/08/99/199290899.db2.gz MKJSZRYQWQRGKD-ZDUSSCGKSA-N 0 0 303.355 0.893 10 0 DCAERN O=S(=O)(CCCc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000181431802 199295724 /nfs/dbraw/zinc/29/57/24/199295724.db2.gz RDXGSTWMVHDRRS-CHWSQXEVSA-N 0 0 318.416 0.192 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(C)(C)C(N)=O)CC2 ZINC000181492274 199306033 /nfs/dbraw/zinc/30/60/33/199306033.db2.gz ZJWVSHVDXJPRFP-JTQLQIEISA-N 0 0 322.413 0.527 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)[C@H](C)CC)CC2 ZINC000246732301 529751443 /nfs/dbraw/zinc/75/14/43/529751443.db2.gz HPQRRYNFDFNOLJ-IJLUTSLNSA-N 0 0 309.414 0.862 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC[C@H]1CCCO1 ZINC000097015071 185397244 /nfs/dbraw/zinc/39/72/44/185397244.db2.gz NUTCQMFINAKTIG-VXGBXAGGSA-N 0 0 314.411 0.910 10 0 DCAERN Cc1nc2ccc(N(CC3CC3)C[C@@H]3CN(C)CCO3)nn2n1 ZINC000286696501 219115532 /nfs/dbraw/zinc/11/55/32/219115532.db2.gz ODQGDBRKVOPHHR-AWEZNQCLSA-N 0 0 316.409 0.980 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCc1nccn1C(F)F)C(C)C ZINC000178430466 529919881 /nfs/dbraw/zinc/91/98/81/529919881.db2.gz ZHUKCMCNIVFFDT-SECBINFHSA-N 0 0 303.313 0.848 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000175209061 530014673 /nfs/dbraw/zinc/01/46/73/530014673.db2.gz YRFSRLMULIHREB-UHFFFAOYSA-N 0 0 312.376 0.693 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC2(CCO)CC2)[C@H]1c1cccnc1 ZINC000187923408 530044811 /nfs/dbraw/zinc/04/48/11/530044811.db2.gz YUCZXGCZUUQBSW-DZGCQCFKSA-N 0 0 317.389 0.880 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCCO1 ZINC000157144457 299113806 /nfs/dbraw/zinc/11/38/06/299113806.db2.gz UTOKBUHKVZRNAO-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000181804802 199354073 /nfs/dbraw/zinc/35/40/73/199354073.db2.gz GSABXHGMUCIDTG-DGCLKSJQSA-N 0 0 306.366 0.647 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCC1=O ZINC000279809994 215166311 /nfs/dbraw/zinc/16/63/11/215166311.db2.gz AKAAXHDKZIKAAE-VIFPVBQESA-N 0 0 311.363 0.928 10 0 DCAERN Nc1n[nH]c(C(=O)NCc2ccccc2CN2CCCC2=O)n1 ZINC000071755528 191025379 /nfs/dbraw/zinc/02/53/79/191025379.db2.gz HLFJSLGSONPPPY-UHFFFAOYSA-N 0 0 314.349 0.439 10 0 DCAERN O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CC[NH2+]1 ZINC000071763942 191027030 /nfs/dbraw/zinc/02/70/30/191027030.db2.gz XGGDLVPNESTBCP-LBPRGKRZSA-N 0 0 300.318 0.575 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CCCN2c2nccs2)CCC1=O ZINC000150731733 186060823 /nfs/dbraw/zinc/06/08/23/186060823.db2.gz LNQSEKQAHKVBJN-GHMZBOCLSA-N 0 0 308.407 0.849 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CSCC1=O)CC2 ZINC000150713988 186058997 /nfs/dbraw/zinc/05/89/97/186058997.db2.gz UVBLYCYCBMOCCR-JTQLQIEISA-N 0 0 323.422 0.365 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CN(C)C(=O)c1cccs1 ZINC000171487619 186167845 /nfs/dbraw/zinc/16/78/45/186167845.db2.gz ZHDAGODASVAKNY-SNVBAGLBSA-N 0 0 309.391 0.557 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286660 197911615 /nfs/dbraw/zinc/91/16/15/197911615.db2.gz GXNKEPJDEIIQRM-CQSZACIVSA-N 0 0 301.350 0.328 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCCn2ncnc21 ZINC000175707112 186190576 /nfs/dbraw/zinc/19/05/76/186190576.db2.gz PDZIPACRJZLXRL-SSDOTTSWSA-N 0 0 321.259 0.518 10 0 DCAERN CN(Cc1nc(N)nc(N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173372181 186180924 /nfs/dbraw/zinc/18/09/24/186180924.db2.gz YRFGVTMTWJNFJV-LLVKDONJSA-N 0 0 313.365 0.273 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000175678603 186186981 /nfs/dbraw/zinc/18/69/81/186186981.db2.gz PMMBYKDVYZKBPX-JSGCOSHPSA-N 0 0 307.398 0.282 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000177908324 186202804 /nfs/dbraw/zinc/20/28/04/186202804.db2.gz WQCBJJZCJDJUNL-AWEZNQCLSA-N 0 0 305.378 0.540 10 0 DCAERN O=C(CNC(=O)NCc1ccc(Cl)cn1)N1CCOCC1 ZINC000179684083 186205373 /nfs/dbraw/zinc/20/53/73/186205373.db2.gz ISITVULMAIOWST-UHFFFAOYSA-N 0 0 312.757 0.393 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000183879491 186226893 /nfs/dbraw/zinc/22/68/93/186226893.db2.gz TWDFOJAJDHLMNU-LBPRGKRZSA-N 0 0 319.390 0.572 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000183883696 186227571 /nfs/dbraw/zinc/22/75/71/186227571.db2.gz RMFIVMPZIOOFDJ-NSHDSACASA-N 0 0 321.381 0.693 10 0 DCAERN CN(CCCS(N)(=O)=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000171946953 198012925 /nfs/dbraw/zinc/01/29/25/198012925.db2.gz XLOXGBHHDZTJME-ZDUSSCGKSA-N 0 0 311.407 0.402 10 0 DCAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NCc1cccnc1 ZINC000171930502 198009690 /nfs/dbraw/zinc/00/96/90/198009690.db2.gz FNWQRJCQVRKUFX-CQSZACIVSA-N 0 0 300.366 0.626 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2ccsc2)C1 ZINC000172058248 198033240 /nfs/dbraw/zinc/03/32/40/198033240.db2.gz QYSCWZHTYSGJHU-JTQLQIEISA-N 0 0 303.409 0.581 10 0 DCAERN O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3CCCOC3)cc21 ZINC000172065669 198034137 /nfs/dbraw/zinc/03/41/37/198034137.db2.gz JKNKPXKVHBWNKK-LLVKDONJSA-N 0 0 310.375 0.430 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000172315577 198079051 /nfs/dbraw/zinc/07/90/51/198079051.db2.gz NVPYKVOIBDUFRG-QMMMGPOBSA-N 0 0 318.786 0.081 10 0 DCAERN COCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1C ZINC000172272663 198068945 /nfs/dbraw/zinc/06/89/45/198068945.db2.gz FFIRGMDSBIHMMC-LBPRGKRZSA-N 0 0 308.382 0.570 10 0 DCAERN CCCc1cc(N2CCS(=O)(=O)[C@@H](C)C2)n2ncnc2n1 ZINC000172372439 198087441 /nfs/dbraw/zinc/08/74/41/198087441.db2.gz KTPIFKFIXGIAFZ-JTQLQIEISA-N 0 0 309.395 0.700 10 0 DCAERN COCCNC(=O)CN1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000172334566 198081217 /nfs/dbraw/zinc/08/12/17/198081217.db2.gz LIZYKEPLTKDLEV-UHFFFAOYSA-N 0 0 323.441 0.344 10 0 DCAERN CN1C[C@H](NC(=O)NCc2ccc(CO)c(F)c2)CCC1=O ZINC000172574793 198118109 /nfs/dbraw/zinc/11/81/09/198118109.db2.gz JQNFQQNGJQCKQB-GFCCVEGCSA-N 0 0 309.341 0.738 10 0 DCAERN Cc1nc2nnc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1 ZINC000072452399 191171796 /nfs/dbraw/zinc/17/17/96/191171796.db2.gz NDXHIFCXZBLYBH-UHFFFAOYSA-N 0 0 312.337 0.430 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cc(C)nn3C)CCO2)[nH]1 ZINC000173562653 198226665 /nfs/dbraw/zinc/22/66/65/198226665.db2.gz AIPDJNJSUPSINW-LLVKDONJSA-N 0 0 304.354 0.623 10 0 DCAERN Cc1nc(CNC(=O)NCCNC(=O)c2ccccc2F)no1 ZINC000173567121 198228012 /nfs/dbraw/zinc/22/80/12/198228012.db2.gz AIIDOCLQXXKZLD-UHFFFAOYSA-N 0 0 321.312 0.746 10 0 DCAERN CC(C)c1nnc2n1C[C@H](Nc1ccc(C(N)=O)nn1)CC2 ZINC000173985135 198277533 /nfs/dbraw/zinc/27/75/33/198277533.db2.gz YEAHRNRTBNPXSQ-SECBINFHSA-N 0 0 301.354 0.717 10 0 DCAERN O=C(CCCNC(=O)N1CCC[C@@H](n2cncn2)C1)NC1CC1 ZINC000173975390 198274737 /nfs/dbraw/zinc/27/47/37/198274737.db2.gz WZIKSOKCNBOPRH-CYBMUJFWSA-N 0 0 320.397 0.683 10 0 DCAERN CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000174087883 198290020 /nfs/dbraw/zinc/29/00/20/198290020.db2.gz CAFTWYYUBYANNM-MSOLQXFVSA-N 0 0 322.449 0.953 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nn1C ZINC000174246730 198309876 /nfs/dbraw/zinc/30/98/76/198309876.db2.gz ZZWUVDGXIGFEQL-SNVBAGLBSA-N 0 0 314.411 0.307 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc(N)nc(Cl)c2)C[C@H]1C ZINC000174296546 198316094 /nfs/dbraw/zinc/31/60/94/198316094.db2.gz IZTBWRPFOBHRAD-NXEZZACHSA-N 0 0 312.801 0.844 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000174588555 198355651 /nfs/dbraw/zinc/35/56/51/198355651.db2.gz VIJKVRQADPEQBR-NWDGAFQWSA-N 0 0 314.407 0.646 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000175974345 198532087 /nfs/dbraw/zinc/53/20/87/198532087.db2.gz IYWZCDKUJZULOU-UHFFFAOYSA-N 0 0 318.377 0.644 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000182732528 199482668 /nfs/dbraw/zinc/48/26/68/199482668.db2.gz GUAFUXKGHFWVDV-DTWKUNHWSA-N 0 0 319.287 0.242 10 0 DCAERN C[C@@H](NC(=O)NC(CO)CO)c1cccc(-n2ccnc2)c1 ZINC000074876516 191376836 /nfs/dbraw/zinc/37/68/36/191376836.db2.gz SXJJUIJIDHEREG-LLVKDONJSA-N 0 0 304.350 0.586 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC000177136320 198672627 /nfs/dbraw/zinc/67/26/27/198672627.db2.gz WAVRHPUYTVFTNK-LBPRGKRZSA-N 0 0 319.365 0.077 10 0 DCAERN COC(=O)CNC(=O)c1ccc(NCc2cnn(C)c2)cc1 ZINC000078728604 191920706 /nfs/dbraw/zinc/92/07/06/191920706.db2.gz PVKVWLSTNWDEEX-UHFFFAOYSA-N 0 0 302.334 0.935 10 0 DCAERN COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000080303384 192022142 /nfs/dbraw/zinc/02/21/42/192022142.db2.gz LVATUSQLTJGUNY-JQWIXIFHSA-N 0 0 303.322 0.135 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CC1=O ZINC000408065341 283229964 /nfs/dbraw/zinc/22/99/64/283229964.db2.gz YODMAXSGMRFUPL-KWCYVHTRSA-N 0 0 306.337 0.938 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)COc2c(C)nn(C)c2C)CC1 ZINC000179406714 199030197 /nfs/dbraw/zinc/03/01/97/199030197.db2.gz GDWAGWRCKCOPKK-AWEZNQCLSA-N 0 0 324.425 0.331 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000179406000 199030424 /nfs/dbraw/zinc/03/04/24/199030424.db2.gz WDRAFQAWWACNHK-ZIAGYGMSSA-N 0 0 307.394 0.764 10 0 DCAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173983441 283315245 /nfs/dbraw/zinc/31/52/45/283315245.db2.gz ATZVUVQQECVYIT-LSDHHAIUSA-N 0 0 307.369 0.759 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 ZINC000180318854 199145138 /nfs/dbraw/zinc/14/51/38/199145138.db2.gz UWNPIQVXXDRXCN-HZSPNIEDSA-N 0 0 322.409 0.813 10 0 DCAERN COCCOc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccn1 ZINC000180385778 199152807 /nfs/dbraw/zinc/15/28/07/199152807.db2.gz LPCFYMZXHBEEIC-LBPRGKRZSA-N 0 0 317.349 0.443 10 0 DCAERN CCCN1c2ccccc2[C@@]2(NC(=O)[C@@H]3COCCN32)C1=O ZINC000180265981 283356066 /nfs/dbraw/zinc/35/60/66/283356066.db2.gz MYINPAPSGGEJAO-BBRMVZONSA-N 0 0 301.346 0.427 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(Cl)cn2)O1 ZINC000180940037 199231071 /nfs/dbraw/zinc/23/10/71/199231071.db2.gz PRTKCOVYGPXNRE-QWRGUYRKSA-N 0 0 312.757 0.567 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(Cl)cn2)O1 ZINC000180940053 199231656 /nfs/dbraw/zinc/23/16/56/199231656.db2.gz PRTKCOVYGPXNRE-MNOVXSKESA-N 0 0 312.757 0.567 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCOCC1 ZINC000180992187 199237841 /nfs/dbraw/zinc/23/78/41/199237841.db2.gz CWUXRWIMFZLFLK-UHFFFAOYSA-N 0 0 301.306 0.269 10 0 DCAERN Cc1nccc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000126774937 236958262 /nfs/dbraw/zinc/95/82/62/236958262.db2.gz UTXKAOVMJLZTDS-ZDUSSCGKSA-N 0 0 319.409 0.154 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000157229438 237058243 /nfs/dbraw/zinc/05/82/43/237058243.db2.gz ZTLZNOUOSUGMAR-NXEZZACHSA-N 0 0 316.379 0.779 10 0 DCAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668764 237148265 /nfs/dbraw/zinc/14/82/65/237148265.db2.gz WIEZFRXVSAALGZ-KBPBESRZSA-N 0 0 319.409 0.234 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1CC ZINC000187303440 200092032 /nfs/dbraw/zinc/09/20/32/200092032.db2.gz BKSQNRYQOTZZEM-LLVKDONJSA-N 0 0 322.409 0.033 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000185481052 237298803 /nfs/dbraw/zinc/29/88/03/237298803.db2.gz NNYALPHBPZISNP-VXGBXAGGSA-N 0 0 324.468 0.330 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000186838670 237324013 /nfs/dbraw/zinc/32/40/13/237324013.db2.gz DVNMTDMDQYMENI-NSHDSACASA-N 0 0 316.361 0.062 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCN(C)C(=O)[C@@H]2C)cc1C ZINC000186842441 237330869 /nfs/dbraw/zinc/33/08/69/237330869.db2.gz XHKBCAKDHUKMPF-ZDUSSCGKSA-N 0 0 317.389 0.722 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2nc(C)nn2c1 ZINC000281034887 216036933 /nfs/dbraw/zinc/03/69/33/216036933.db2.gz USPAHVVKWOBYMZ-NSHDSACASA-N 0 0 302.338 0.780 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCN1CCO ZINC000188769523 237379982 /nfs/dbraw/zinc/37/99/82/237379982.db2.gz HNXDFORDHVOVEY-LBPRGKRZSA-N 0 0 319.405 0.392 10 0 DCAERN COCCn1ccc(C(=O)NCc2cccnc2N(C)C)n1 ZINC000189026129 237386493 /nfs/dbraw/zinc/38/64/93/237386493.db2.gz GGJKULYPEHVAOF-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCN1CCO ZINC000189004698 237387150 /nfs/dbraw/zinc/38/71/50/237387150.db2.gz SEQCRTOYIXJXQK-JTQLQIEISA-N 0 0 317.340 0.679 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1C(=O)Cc1cncnc1)C1CC1 ZINC000281068474 216056962 /nfs/dbraw/zinc/05/69/62/216056962.db2.gz ZOGMTRYTAUEATG-LBPRGKRZSA-N 0 0 306.391 0.541 10 0 DCAERN COc1ccc(F)cc1CNC(=O)C(=O)Nc1ccn(C)n1 ZINC000189262438 237397522 /nfs/dbraw/zinc/39/75/22/237397522.db2.gz BJQZGBLKNPMKFT-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000188546289 200263776 /nfs/dbraw/zinc/26/37/76/200263776.db2.gz AMKLGQFCOIJSFT-SMDDNHRTSA-N 0 0 317.389 0.837 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)c1 ZINC000281145032 216108375 /nfs/dbraw/zinc/10/83/75/216108375.db2.gz FAPSZTSRWAYENE-XJKSGUPXSA-N 0 0 320.393 0.335 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCN1CCO ZINC000188723062 200294013 /nfs/dbraw/zinc/29/40/13/200294013.db2.gz QLFZIWKZCGZINA-SECBINFHSA-N 0 0 318.324 0.160 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCN1CCO ZINC000188720929 200294045 /nfs/dbraw/zinc/29/40/45/200294045.db2.gz PQIDRRYAMRGRAT-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000154265758 291212317 /nfs/dbraw/zinc/21/23/17/291212317.db2.gz CUSZLBMFWKUHHR-LLVKDONJSA-N 0 0 321.381 0.346 10 0 DCAERN COCCc1cc(NC(=O)CNC(=O)c2ccccc2)n(C)n1 ZINC000156493656 291224900 /nfs/dbraw/zinc/22/49/00/291224900.db2.gz GDLOCMXSBNFEQD-UHFFFAOYSA-N 0 0 316.361 0.978 10 0 DCAERN Cc1nc(C(=O)Nc2cnn(-c3ncccn3)c2)c(=O)[nH]c1C ZINC000156238867 291224037 /nfs/dbraw/zinc/22/40/37/291224037.db2.gz DPQVUXAUIRFSBL-UHFFFAOYSA-N 0 0 311.305 0.615 10 0 DCAERN COCCc1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)n(C)n1 ZINC000156827012 291226391 /nfs/dbraw/zinc/22/63/91/291226391.db2.gz WTVLXXKSOFBBFG-JTQLQIEISA-N 0 0 320.349 0.959 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccnn1C ZINC000157249384 291227821 /nfs/dbraw/zinc/22/78/21/291227821.db2.gz MAKQBKRDWZXZDL-NSHDSACASA-N 0 0 311.345 0.949 10 0 DCAERN CCCN(CC(=O)NC)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162141670 291243294 /nfs/dbraw/zinc/24/32/94/291243294.db2.gz OEOCTMGKZRVCKG-LBPRGKRZSA-N 0 0 308.378 0.931 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162812275 291245117 /nfs/dbraw/zinc/24/51/17/291245117.db2.gz MKOBFSGIQRUEOW-IUODEOHRSA-N 0 0 320.389 0.929 10 0 DCAERN CCC[C@@H]1C[C@@H]1N1C(=O)NC2(CCS(=O)(=O)CC2)C1=O ZINC000329269559 283656359 /nfs/dbraw/zinc/65/63/59/283656359.db2.gz GVUYOJJFWADVNZ-ZJUUUORDSA-N 0 0 300.380 0.879 10 0 DCAERN C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281494595 216340838 /nfs/dbraw/zinc/34/08/38/216340838.db2.gz JWLBCPBCSWAWEB-QWHCGFSZSA-N 0 0 319.409 0.943 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000566808328 291324380 /nfs/dbraw/zinc/32/43/80/291324380.db2.gz DUYLTBICFIGNJZ-ZDUSSCGKSA-N 0 0 300.366 0.398 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@](C)(O)C(F)(F)F ZINC000429871988 240378321 /nfs/dbraw/zinc/37/83/21/240378321.db2.gz WPWXWIPHOIHYFW-ZETCQYMHSA-N 0 0 321.708 0.665 10 0 DCAERN CN(CCCO)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000441635731 240530800 /nfs/dbraw/zinc/53/08/00/240530800.db2.gz MPBFYSBURVXFIF-UHFFFAOYSA-N 0 0 311.386 0.061 10 0 DCAERN O=S(=O)(c1ccc2c(c1)COC2)N1C[C@H](F)C[C@H]1CO ZINC000444281675 240563526 /nfs/dbraw/zinc/56/35/26/240563526.db2.gz WHRZMJIVZJZCSB-NEPJUHHUSA-N 0 0 301.339 0.810 10 0 DCAERN O=C([O-])[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1c1ccncc1 ZINC000091535529 193071081 /nfs/dbraw/zinc/07/10/81/193071081.db2.gz YRGMONUBBGDDNF-UONOGXRCSA-N 0 0 319.361 0.040 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000450784770 240645124 /nfs/dbraw/zinc/64/51/24/240645124.db2.gz KWZHNTCNDHFDCV-UHFFFAOYSA-N 0 0 322.409 0.367 10 0 DCAERN Cc1n[nH]c2cc(NC(=O)C3=NN(CCO)C(=O)CC3)ccc12 ZINC000091834494 193114969 /nfs/dbraw/zinc/11/49/69/193114969.db2.gz HTZOWZLPNLEOTP-UHFFFAOYSA-N 0 0 315.333 0.781 10 0 DCAERN CC[C@@H](NC(=O)C1CCN(CC(N)=O)CC1)c1nc(C)c[nH]1 ZINC000091931702 193127925 /nfs/dbraw/zinc/12/79/25/193127925.db2.gz HEFFWJOYYSHSFR-GFCCVEGCSA-N 0 0 307.398 0.483 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCCOC)CC12COC2 ZINC000457407197 241001780 /nfs/dbraw/zinc/00/17/80/241001780.db2.gz SWSUSLRMNTVROL-NSHDSACASA-N 0 0 300.355 0.244 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)c1 ZINC000457429974 241003753 /nfs/dbraw/zinc/00/37/53/241003753.db2.gz JRWKVWRPKCUIQU-PWSUYJOCSA-N 0 0 312.391 0.892 10 0 DCAERN O=C(NCCCOc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000457540746 241013838 /nfs/dbraw/zinc/01/38/38/241013838.db2.gz JKEGDGBSMOPDDH-CYBMUJFWSA-N 0 0 319.365 0.407 10 0 DCAERN CCOc1cccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000457650986 241023608 /nfs/dbraw/zinc/02/36/08/241023608.db2.gz NAYJXJNXFGWFGS-CYBMUJFWSA-N 0 0 319.365 0.537 10 0 DCAERN CCN(Cc1cccc(F)c1)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092230626 193177482 /nfs/dbraw/zinc/17/74/82/193177482.db2.gz FERHRDKVCMFKJM-CQSZACIVSA-N 0 0 323.368 0.360 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282123623 216760703 /nfs/dbraw/zinc/76/07/03/216760703.db2.gz GTWAJRUCBNHVLS-LLVKDONJSA-N 0 0 315.377 0.957 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000568769220 291445998 /nfs/dbraw/zinc/44/59/98/291445998.db2.gz DELFBJYJBUNOLD-BXUZGUMPSA-N 0 0 313.375 0.660 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000173792783 296141502 /nfs/dbraw/zinc/14/15/02/296141502.db2.gz UWXYRQLWBKZNNV-GLFGPFBSSA-N 0 0 300.424 0.865 10 0 DCAERN O=C1CCCN1Cc1nnn2c1CN(c1ncccn1)CCC2 ZINC000096084694 193530252 /nfs/dbraw/zinc/53/02/52/193530252.db2.gz RHCWIGCGGWGJRZ-UHFFFAOYSA-N 0 0 313.365 0.601 10 0 DCAERN COCCO[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccncc1 ZINC000096200317 193577345 /nfs/dbraw/zinc/57/73/45/193577345.db2.gz IMNAYPAGOQDNBI-UONOGXRCSA-N 0 0 314.407 0.690 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC ZINC000264738751 204119077 /nfs/dbraw/zinc/11/90/77/204119077.db2.gz JTDQLZAATJROQN-QWRGUYRKSA-N 0 0 313.423 0.352 10 0 DCAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC000178298572 284263932 /nfs/dbraw/zinc/26/39/32/284263932.db2.gz XNLIYFNOOBZAMO-LSDHHAIUSA-N 0 0 322.320 0.958 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@@H](C)Cn1cncn1)CC2 ZINC000265082388 204385428 /nfs/dbraw/zinc/38/54/28/204385428.db2.gz KBRSLHXDSTWGOU-RYUDHWBXSA-N 0 0 321.381 0.651 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](C(=O)NCC3CC3)C2)nn1 ZINC000266005241 205018019 /nfs/dbraw/zinc/01/80/19/205018019.db2.gz LUIGQXAGWYPXGH-LBPRGKRZSA-N 0 0 317.393 0.579 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C ZINC000408321282 284351621 /nfs/dbraw/zinc/35/16/21/284351621.db2.gz QKYPXILRJOQRBG-SKDRFNHKSA-N 0 0 321.377 0.668 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000015205758 181991881 /nfs/dbraw/zinc/99/18/81/181991881.db2.gz CQKHENXHLAUMBH-JETYXEASSA-N 0 0 322.313 0.308 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)C3(O)CCCC3)C2)n[nH]1 ZINC000266166209 205152203 /nfs/dbraw/zinc/15/22/03/205152203.db2.gz DNGIDWPIZYXDFI-SNVBAGLBSA-N 0 0 306.366 0.520 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H]1CCC[C@@H]1O ZINC000266184241 205166554 /nfs/dbraw/zinc/16/65/54/205166554.db2.gz GMYBRVITQHQPLI-JSGCOSHPSA-N 0 0 308.353 0.762 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000017125728 182076035 /nfs/dbraw/zinc/07/60/35/182076035.db2.gz FRMXVEDKXFUWRZ-IHRRRGAJSA-N 0 0 324.377 0.238 10 0 DCAERN Nc1nnc(CNC(=O)CN2C(=O)c3ccccc3C2=O)s1 ZINC000020201832 182196921 /nfs/dbraw/zinc/19/69/21/182196921.db2.gz TZWFRHDXRLCHGS-UHFFFAOYSA-N 0 0 317.330 0.033 10 0 DCAERN C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000572690142 291583185 /nfs/dbraw/zinc/58/31/85/291583185.db2.gz OYTRWYBFMAZUIF-HSMVNMDESA-N 0 0 323.393 0.782 10 0 DCAERN CCOC(=O)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000573116864 291612340 /nfs/dbraw/zinc/61/23/40/291612340.db2.gz DDVLRCCJGOTQJO-UHFFFAOYSA-N 0 0 318.333 0.732 10 0 DCAERN Nc1ncc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000033074021 182691272 /nfs/dbraw/zinc/69/12/72/182691272.db2.gz VRRQISBMSNDLAY-UHFFFAOYSA-N 0 0 308.319 0.266 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@@H](NC(N)=O)[C@@H](C)CC ZINC000038020934 182967095 /nfs/dbraw/zinc/96/70/95/182967095.db2.gz JGQDDTBHMYOEJS-JQWIXIFHSA-N 0 0 301.387 0.871 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)CCS1(=O)=O ZINC000574018881 291668701 /nfs/dbraw/zinc/66/87/01/291668701.db2.gz YXIPRRGCJDIUTC-RDBSUJKOSA-N 0 0 321.439 0.052 10 0 DCAERN COCc1c(C(=O)N2CCOCC2)nnn1-c1ccccc1 ZINC000040179318 183044751 /nfs/dbraw/zinc/04/47/51/183044751.db2.gz WTOITXSVNZKLNX-UHFFFAOYSA-N 0 0 302.334 0.886 10 0 DCAERN Cc1ccc(NC(=O)[C@@H]2CSC(=O)N2)cc1S(N)(=O)=O ZINC000040378461 183058045 /nfs/dbraw/zinc/05/80/45/183058045.db2.gz JLIWJEDBXNRVTN-QMMMGPOBSA-N 0 0 315.376 0.406 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)C[C@@H](C)O1 ZINC000102662013 193912464 /nfs/dbraw/zinc/91/24/64/193912464.db2.gz VWDGFHMMRSCSEZ-VXGBXAGGSA-N 0 0 316.427 0.296 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000104356391 194001458 /nfs/dbraw/zinc/00/14/58/194001458.db2.gz KJHUYWNJONKEHR-LSDHHAIUSA-N 0 0 317.389 0.991 10 0 DCAERN CN(CC(=O)N1CCOCC1)Cc1noc(C2CCOCC2)n1 ZINC000104945264 194055648 /nfs/dbraw/zinc/05/56/48/194055648.db2.gz YOVFTCSWUBDPJI-UHFFFAOYSA-N 0 0 324.381 0.254 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105215144 194084994 /nfs/dbraw/zinc/08/49/94/194084994.db2.gz SOGUVEXYIGPEQE-GXTWGEPZSA-N 0 0 309.414 0.457 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799466 194132311 /nfs/dbraw/zinc/13/23/11/194132311.db2.gz MRAGDWXYKAJMLF-CQSZACIVSA-N 0 0 321.425 0.530 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105804486 194134133 /nfs/dbraw/zinc/13/41/33/194134133.db2.gz OQQVWQREDWVFKN-SNVBAGLBSA-N 0 0 306.370 0.197 10 0 DCAERN COC(=O)CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000105987343 194176886 /nfs/dbraw/zinc/17/68/86/194176886.db2.gz KGOKBGOJUHXFJI-STQMWFEESA-N 0 0 304.346 0.933 10 0 DCAERN CCOCCOCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000110786992 194357819 /nfs/dbraw/zinc/35/78/19/194357819.db2.gz YTMHYSOIKKGKEV-UHFFFAOYSA-N 0 0 305.338 0.536 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1=O ZINC000273414734 210754892 /nfs/dbraw/zinc/75/48/92/210754892.db2.gz CRLCYHLZIPTADE-MNOVXSKESA-N 0 0 309.366 0.355 10 0 DCAERN O=C(CN1CCS(=O)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000111222253 194406453 /nfs/dbraw/zinc/40/64/53/194406453.db2.gz MTZAXLUCQWMUIF-STQMWFEESA-N 0 0 300.424 0.221 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112105247 194432953 /nfs/dbraw/zinc/43/29/53/194432953.db2.gz PVUZIZRZOZLVFD-ZDUSSCGKSA-N 0 0 323.397 0.128 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)on1 ZINC000408242624 291772835 /nfs/dbraw/zinc/77/28/35/291772835.db2.gz WMFCFNSFIKRTIT-UWVGGRQHSA-N 0 0 301.368 0.573 10 0 DCAERN CCN(CCCNC(=O)N1CCOCC[C@H]1C)S(C)(=O)=O ZINC000367677512 284903167 /nfs/dbraw/zinc/90/31/67/284903167.db2.gz DZBQHSONZIPJMX-GFCCVEGCSA-N 0 0 321.443 0.478 10 0 DCAERN C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408426722 299535065 /nfs/dbraw/zinc/53/50/65/299535065.db2.gz LFDYDWVKRDTNAA-QMVSFRDZSA-N 0 0 320.455 0.822 10 0 DCAERN CCN(CCO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000097477970 284966479 /nfs/dbraw/zinc/96/64/79/284966479.db2.gz SWUVURVNTQDVAP-CYBMUJFWSA-N 0 0 306.362 0.838 10 0 DCAERN CCC(C)(CC)NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000112828124 194525839 /nfs/dbraw/zinc/52/58/39/194525839.db2.gz NSESLPHODHWJIN-UHFFFAOYSA-N 0 0 318.377 0.941 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000112890163 194532199 /nfs/dbraw/zinc/53/21/99/194532199.db2.gz RRJOHONRBSULBI-YPMHNXCESA-N 0 0 318.377 0.934 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@@](C)(C(=O)OC)C2)cs1 ZINC000177443705 252605967 /nfs/dbraw/zinc/60/59/67/252605967.db2.gz MIZPAOPACFGMLX-CQSZACIVSA-N 0 0 311.407 0.817 10 0 DCAERN O=S(=O)(NC[C@@H](O)C1CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333228075 252695525 /nfs/dbraw/zinc/69/55/25/252695525.db2.gz XUCBGYSSSRDIMW-YXCITZCRSA-N 0 0 303.424 0.882 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333425569 252721769 /nfs/dbraw/zinc/72/17/69/252721769.db2.gz MSCJUGKTIZWVSY-VEGXAWMVSA-N 0 0 316.423 0.483 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(=O)N[C@H](C)C1 ZINC000333838079 252767896 /nfs/dbraw/zinc/76/78/96/252767896.db2.gz MTACUBIMWHDNTQ-AXFHLTTASA-N 0 0 313.423 0.281 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(CSC[C@H](O)CO)cc1 ZINC000336807412 252795706 /nfs/dbraw/zinc/79/57/06/252795706.db2.gz JSWZFVPNHVGRTK-LLVKDONJSA-N 0 0 305.421 0.523 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408370270 291833716 /nfs/dbraw/zinc/83/37/16/291833716.db2.gz ITMMCZFGGPPXPL-SDDRHHMPSA-N 0 0 320.411 0.368 10 0 DCAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n(C)n1 ZINC000119897350 195057913 /nfs/dbraw/zinc/05/79/13/195057913.db2.gz UZQRRECKQPCWOF-JTQLQIEISA-N 0 0 322.390 0.867 10 0 DCAERN COc1ccc(S(=O)(=O)NCCc2c(C)nn(C)c2C)cn1 ZINC000195088377 533059318 /nfs/dbraw/zinc/05/93/18/533059318.db2.gz DIERGQORFUDNIK-UHFFFAOYSA-N 0 0 324.406 0.962 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000363162389 262103437 /nfs/dbraw/zinc/10/34/37/262103437.db2.gz JQPXSMOGJIEBJL-JTQLQIEISA-N 0 0 310.366 0.962 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1Cc1cn(Cc2cccnc2)nn1 ZINC000343837523 253709421 /nfs/dbraw/zinc/70/94/21/253709421.db2.gz UKANQRCIZCAHEG-HOTGVXAUSA-N 0 0 317.393 0.957 10 0 DCAERN COCCOc1ccc(C(=O)N2C[C@H](F)C[C@@H]2C(N)=O)cc1 ZINC000347226564 254140414 /nfs/dbraw/zinc/14/04/14/254140414.db2.gz GNTXJQMHPOEPQA-DGCLKSJQSA-N 0 0 310.325 0.750 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000347704386 254180634 /nfs/dbraw/zinc/18/06/34/254180634.db2.gz IIRUNHCXCQFKNS-QGZVFWFLSA-N 0 0 319.405 0.583 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350621928 254320288 /nfs/dbraw/zinc/32/02/88/254320288.db2.gz WKFSDMUDIJYDQH-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)C1 ZINC000350731704 254324756 /nfs/dbraw/zinc/32/47/56/254324756.db2.gz DVEJKHQAPYOYAT-GFCCVEGCSA-N 0 0 321.352 0.064 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373727045 296409918 /nfs/dbraw/zinc/40/99/18/296409918.db2.gz KCOJTBDPWDBRKZ-KXNHARMFSA-N 0 0 301.412 0.301 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(N(C)C)n1 ZINC000152268386 196798194 /nfs/dbraw/zinc/79/81/94/196798194.db2.gz SOGJPOJUXIWMPI-LBPRGKRZSA-N 0 0 308.407 0.685 10 0 DCAERN COC[C@@H]1C[C@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@@H]2C1 ZINC000248150637 257108081 /nfs/dbraw/zinc/10/80/81/257108081.db2.gz TYGYVMRLEZIMCC-QJPTWQEYSA-N 0 0 315.395 0.235 10 0 DCAERN Cc1noc(C)c1CN1CC2(C1)CN(C)[C@@H](C(=O)N(C)C)CO2 ZINC000248027652 257111428 /nfs/dbraw/zinc/11/14/28/257111428.db2.gz SLTRYKHWFWRUOR-CQSZACIVSA-N 0 0 322.409 0.265 10 0 DCAERN CNC(=O)[C@]12CCO[C@H]1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000247975638 257113206 /nfs/dbraw/zinc/11/32/06/257113206.db2.gz VZQGOSKYJPSJSU-ZFWWWQNUSA-N 0 0 324.402 0.602 10 0 DCAERN CS(=O)(=O)N1C[C@@H]2OC[C@H](CCOc3ccccn3)[C@@H]2C1 ZINC000247545179 257118414 /nfs/dbraw/zinc/11/84/14/257118414.db2.gz UEXMFNWMZMBAJL-AVGNSLFASA-N 0 0 312.391 0.757 10 0 DCAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C)C1 ZINC000521396658 257240041 /nfs/dbraw/zinc/24/00/41/257240041.db2.gz BWDCEALEUBHILD-XQHKEYJVSA-N 0 0 318.439 0.181 10 0 DCAERN COc1ccc(=O)n(CCc2c(C)nc3ccccn3c2=O)n1 ZINC000328593807 533254337 /nfs/dbraw/zinc/25/43/37/533254337.db2.gz LLDVWLIOKYRXEY-UHFFFAOYSA-N 0 0 312.329 0.811 10 0 DCAERN C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155245215 533276703 /nfs/dbraw/zinc/27/67/03/533276703.db2.gz PLQHTOIRWUZOTK-NWDGAFQWSA-N 0 0 318.439 0.179 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000172576184 533580792 /nfs/dbraw/zinc/58/07/92/533580792.db2.gz YHXSTTFRCCEFHP-CYBMUJFWSA-N 0 0 313.442 0.900 10 0 DCAERN C[C@@H](O)CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H](C)CO ZINC000189272707 533631595 /nfs/dbraw/zinc/63/15/95/533631595.db2.gz MHSYJCVARUFPIQ-WDEREUQCSA-N 0 0 313.398 0.890 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 ZINC000276703577 130536247 /nfs/dbraw/zinc/53/62/47/130536247.db2.gz PGUCVCDAOSOQKK-STQMWFEESA-N 0 0 306.366 0.622 10 0 DCAERN COc1cccc([C@@H]2CN(S(=O)(=O)C3COC3)CCO2)c1 ZINC000277056372 130575721 /nfs/dbraw/zinc/57/57/21/130575721.db2.gz MSLVRPMSBAHBQZ-AWEZNQCLSA-N 0 0 313.375 0.797 10 0 DCAERN COc1cnc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)nc1 ZINC000284001649 131040282 /nfs/dbraw/zinc/04/02/82/131040282.db2.gz NHZMILKTQQEZPC-SECBINFHSA-N 0 0 305.338 0.618 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2nnc(-c3ccccn3)s2)C1 ZINC000284649835 131101274 /nfs/dbraw/zinc/10/12/74/131101274.db2.gz OSFFHZLBXLEJDH-ZDUSSCGKSA-N 0 0 305.363 0.417 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000284668852 131103032 /nfs/dbraw/zinc/10/30/32/131103032.db2.gz WJJFYOIJGNILJH-AWEZNQCLSA-N 0 0 301.354 0.293 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284704465 131105796 /nfs/dbraw/zinc/10/57/96/131105796.db2.gz ZGIBYQDHRJMILY-CHWSQXEVSA-N 0 0 320.393 0.151 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C[C@H]1C(N)=O ZINC000285542649 131179280 /nfs/dbraw/zinc/17/92/80/131179280.db2.gz OHACTBQMHFHMMY-ZHSDAYTOSA-N 0 0 304.346 0.795 10 0 DCAERN COC[C@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)CC(C)(C)O1 ZINC000285593429 131184645 /nfs/dbraw/zinc/18/46/45/131184645.db2.gz UDGIKPAVTNZJDT-SNVBAGLBSA-N 0 0 320.349 0.289 10 0 DCAERN CN(C)c1noc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)n1 ZINC000289399520 131382433 /nfs/dbraw/zinc/38/24/33/131382433.db2.gz NTTSIXIQEUWQFJ-UHFFFAOYSA-N 0 0 305.338 0.746 10 0 DCAERN CC[C@H]1Oc2ccc(N)cc2N(CC(=O)N2CCOCC2)C1=O ZINC000019954313 134641152 /nfs/dbraw/zinc/64/11/52/134641152.db2.gz DQZIYPHKQQYNID-CYBMUJFWSA-N 0 0 319.361 0.632 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000020943101 395691514 /nfs/dbraw/zinc/69/15/14/395691514.db2.gz FDHBTQHNDMRAPE-WDEREUQCSA-N 0 0 321.343 0.985 10 0 DCAERN CC(C)CN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(N)=O ZINC000002785711 395681862 /nfs/dbraw/zinc/68/18/62/395681862.db2.gz QDIKKUSZMMVTGM-WCIBSUBMSA-N 0 0 321.406 0.834 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@@H]1O ZINC000089407620 395710988 /nfs/dbraw/zinc/71/09/88/395710988.db2.gz XMGHOOKBJXURQE-OEYIWLLWSA-N 0 0 317.389 0.830 10 0 DCAERN C[C@@H]1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H]1O ZINC000089475743 395712000 /nfs/dbraw/zinc/71/20/00/395712000.db2.gz WHYHJAQEUHHGGL-GHMZBOCLSA-N 0 0 304.412 0.224 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000089573494 395713345 /nfs/dbraw/zinc/71/33/45/395713345.db2.gz WAKSHUDKEMDDTE-NSHDSACASA-N 0 0 301.350 0.979 10 0 DCAERN O=C1N[C@]2(C(=O)Nc3cc(F)c(Cl)cc32)N2CCOC[C@H]12 ZINC000093885469 395739440 /nfs/dbraw/zinc/73/94/40/395739440.db2.gz TYCCUFUJDKAEBK-MFKMUULPSA-N 0 0 311.700 0.415 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000040319133 395733203 /nfs/dbraw/zinc/73/32/03/395733203.db2.gz IUNOVWQCKQBKPD-UHFFFAOYSA-N 0 0 311.407 0.758 10 0 DCAERN Cn1nccc1CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042495152 395745867 /nfs/dbraw/zinc/74/58/67/395745867.db2.gz GAQXNURLCCINNE-ZDUSSCGKSA-N 0 0 319.409 0.964 10 0 DCAERN C[C@@H](CNC(=O)CNC(=O)c1cccc(F)c1)N1CCOCC1 ZINC000097251536 395756547 /nfs/dbraw/zinc/75/65/47/395756547.db2.gz HSCUWBCIIYCUGX-LBPRGKRZSA-N 0 0 323.368 0.392 10 0 DCAERN CCOC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000044473951 395756786 /nfs/dbraw/zinc/75/67/86/395756786.db2.gz QMKCKGIKBOILJP-GHMZBOCLSA-N 0 0 308.400 0.225 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000193901064 395781712 /nfs/dbraw/zinc/78/17/12/395781712.db2.gz DHKBHFQHWVCLPV-ZYHUDNBSSA-N 0 0 314.411 0.364 10 0 DCAERN COC(=O)[C@@H]1O[C@@H](Sc2ccc(C)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106384152 395782735 /nfs/dbraw/zinc/78/27/35/395782735.db2.gz KIEJIDLAINZJJS-OJROKELRSA-N 0 0 314.359 0.068 10 0 DCAERN CCOCCOCC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000102473299 395769879 /nfs/dbraw/zinc/76/98/79/395769879.db2.gz MFWFAJFOWDKDON-QWHCGFSZSA-N 0 0 300.399 0.945 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCc2cnn(C)c2)C1 ZINC000102661988 395771212 /nfs/dbraw/zinc/77/12/12/395771212.db2.gz PQKJVMVAZDFEKT-LBPRGKRZSA-N 0 0 300.428 0.919 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)Cc1ccccc1)N1CCOCC1 ZINC000103853790 395775432 /nfs/dbraw/zinc/77/54/32/395775432.db2.gz QUKBHRDNSFDYTA-ZBFHGGJFSA-N 0 0 321.421 0.610 10 0 DCAERN CCCn1nccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000194769483 395807591 /nfs/dbraw/zinc/80/75/91/395807591.db2.gz WKOOXTBYCXTOCC-GFCCVEGCSA-N 0 0 311.386 0.108 10 0 DCAERN Cn1c2ccc(CN3CCS(=O)(=O)CC3)cc2sc1=O ZINC000195006019 395813462 /nfs/dbraw/zinc/81/34/62/395813462.db2.gz HTMQPOAKPKSALQ-UHFFFAOYSA-N 0 0 312.416 0.830 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195055026 395815356 /nfs/dbraw/zinc/81/53/56/395815356.db2.gz BXVFKYHORUFQJB-CYBMUJFWSA-N 0 0 302.440 0.754 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195058917 395815403 /nfs/dbraw/zinc/81/54/03/395815403.db2.gz ZWUYDOADZWIHKO-CYBMUJFWSA-N 0 0 322.457 0.639 10 0 DCAERN CCCCCN(CCO)C(=O)NC[C@H](C)N1CCOCC1 ZINC000112438803 395817861 /nfs/dbraw/zinc/81/78/61/395817861.db2.gz PJPIMPOQIOLAPT-AWEZNQCLSA-N 0 0 301.431 0.901 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)NCC3(C)COC3)ccc2c1=O ZINC000112621057 395820090 /nfs/dbraw/zinc/82/00/90/395820090.db2.gz VPBSVDGZCXXZEK-UHFFFAOYSA-N 0 0 317.345 0.476 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112647412 395820319 /nfs/dbraw/zinc/82/03/19/395820319.db2.gz QIMOPTGFWLDXBT-WIUDPPPLSA-N 0 0 304.375 0.760 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)NCC2(C)COC2)c(O)c1 ZINC000112728359 395823198 /nfs/dbraw/zinc/82/31/98/395823198.db2.gz KRAAWTQYSFYWSF-UHFFFAOYSA-N 0 0 306.362 0.973 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000195275215 395823290 /nfs/dbraw/zinc/82/32/90/395823290.db2.gz GURPZZHWORJDSS-GFCCVEGCSA-N 0 0 301.412 0.960 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000195391866 395826096 /nfs/dbraw/zinc/82/60/96/395826096.db2.gz CSEZDOMOZHXUNI-UWVGGRQHSA-N 0 0 312.395 0.669 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCC(=O)NCc1ccco1)C1CCCC1 ZINC000198766022 395834236 /nfs/dbraw/zinc/83/42/36/395834236.db2.gz OAKVKEKTOHGUHN-OAHLLOKOSA-N 0 0 321.377 0.707 10 0 DCAERN COC(=O)[C@]1(NC(=O)c2sc3nccn3c2C)CCOC1 ZINC000271092230 395837342 /nfs/dbraw/zinc/83/73/42/395837342.db2.gz HSKXIBWMDOWCQY-ZDUSSCGKSA-N 0 0 309.347 0.766 10 0 DCAERN C[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)N1CCOCC1 ZINC000116418323 395844078 /nfs/dbraw/zinc/84/40/78/395844078.db2.gz JPFPHKMQJVPMLW-KBPBESRZSA-N 0 0 321.425 0.640 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116419332 395844105 /nfs/dbraw/zinc/84/41/05/395844105.db2.gz BCGHZWXRGVFGST-KBPBESRZSA-N 0 0 321.425 0.640 10 0 DCAERN Cc1cccc(-c2noc(CN3CCO[C@H](C(N)=O)C3)n2)c1 ZINC000051104295 395844418 /nfs/dbraw/zinc/84/44/18/395844418.db2.gz MYOFPYGAJXQXJW-LBPRGKRZSA-N 0 0 302.334 0.731 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116552732 395844683 /nfs/dbraw/zinc/84/46/83/395844683.db2.gz BESDOWOGZZFEGX-OCCSQVGLSA-N 0 0 319.409 0.928 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000116904257 395849353 /nfs/dbraw/zinc/84/93/53/395849353.db2.gz PNPUFPRKIYFHDT-JTQLQIEISA-N 0 0 322.383 0.138 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCN1CCOC ZINC000117303225 395852273 /nfs/dbraw/zinc/85/22/73/395852273.db2.gz KIDBXHWJALZOSV-ZDUSSCGKSA-N 0 0 320.393 0.363 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccnc2OC)C[C@H]1C ZINC000117476682 395852846 /nfs/dbraw/zinc/85/28/46/395852846.db2.gz XACYXRHVVOQXGN-CYBMUJFWSA-N 0 0 322.409 0.952 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000117703583 395854301 /nfs/dbraw/zinc/85/43/01/395854301.db2.gz LWTGLCZNRAMEAC-LLVKDONJSA-N 0 0 321.381 0.344 10 0 DCAERN CN(C[C@H](O)CO)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000271304096 395856608 /nfs/dbraw/zinc/85/66/08/395856608.db2.gz SZNRDGZYUQIBEA-XQQFMLRXSA-N 0 0 307.346 0.373 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000117921990 395856674 /nfs/dbraw/zinc/85/66/74/395856674.db2.gz ZOFBUSKDWHFRDX-QWHCGFSZSA-N 0 0 317.411 0.257 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000194233649 395791924 /nfs/dbraw/zinc/79/19/24/395791924.db2.gz OVTJUPVKNCXEQH-CABZTGNLSA-N 0 0 300.318 0.991 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000194282766 395792651 /nfs/dbraw/zinc/79/26/51/395792651.db2.gz NMQULMJZLJXSLM-OLZOCXBDSA-N 0 0 323.397 0.950 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2ccnn2C)c1 ZINC000047456916 395793053 /nfs/dbraw/zinc/79/30/53/395793053.db2.gz BDZGQCWSKOYQMV-UHFFFAOYSA-N 0 0 308.363 0.258 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000194337571 395794046 /nfs/dbraw/zinc/79/40/46/395794046.db2.gz VURAVZGZMMWALY-CQSZACIVSA-N 0 0 321.425 0.890 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088109 395796245 /nfs/dbraw/zinc/79/62/45/395796245.db2.gz AOUJISYFRAMVMH-DTWKUNHWSA-N 0 0 304.318 0.473 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOC2)c(F)c1 ZINC000109552064 395798050 /nfs/dbraw/zinc/79/80/50/395798050.db2.gz ZSAOXSRXFIDPLA-QMMMGPOBSA-N 0 0 302.327 0.382 10 0 DCAERN CC(C)(C)NC(=O)COc1ccc(CC(=O)NCCO)cc1 ZINC000109744601 395798780 /nfs/dbraw/zinc/79/87/80/395798780.db2.gz SYFKWTXLCVNKMP-UHFFFAOYSA-N 0 0 308.378 0.631 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629901 395802169 /nfs/dbraw/zinc/80/21/69/395802169.db2.gz IYGHDTVJFHWLGT-LLVKDONJSA-N 0 0 311.407 0.315 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619438 395802323 /nfs/dbraw/zinc/80/23/23/395802323.db2.gz FMEPANGQTJQJLB-NSHDSACASA-N 0 0 320.349 0.709 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC(C)(C)C(C)(C)O ZINC000234608772 395889450 /nfs/dbraw/zinc/88/94/50/395889450.db2.gz RFQKBRKEIJTDBR-NXEZZACHSA-N 0 0 307.412 0.797 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000272452112 395892259 /nfs/dbraw/zinc/89/22/59/395892259.db2.gz JSAFNGWHBYLEOB-QWRGUYRKSA-N 0 0 321.308 0.754 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123240012 395892984 /nfs/dbraw/zinc/89/29/84/395892984.db2.gz YNJFLAQHOYKNJM-OLZOCXBDSA-N 0 0 300.399 0.894 10 0 DCAERN NC(=O)[C@H]1COCCN1c1ncc(Br)cc1F ZINC000236235731 395893696 /nfs/dbraw/zinc/89/36/96/395893696.db2.gz FOQXPOLZGSWEEU-MRVPVSSYSA-N 0 0 304.119 0.674 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125522791 395903596 /nfs/dbraw/zinc/90/35/96/395903596.db2.gz PGLRPJAZTXJIAM-NHYWBVRUSA-N 0 0 317.389 0.994 10 0 DCAERN Cc1nc(-c2ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc2)n[nH]1 ZINC000125782741 395905771 /nfs/dbraw/zinc/90/57/71/395905771.db2.gz MOYVHSURMHZKNC-SECBINFHSA-N 0 0 317.349 0.606 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000125793450 395906357 /nfs/dbraw/zinc/90/63/57/395906357.db2.gz UNJUDJUXEIQVFL-LBPRGKRZSA-N 0 0 309.370 0.968 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)CC2)c1 ZINC000126351845 395912465 /nfs/dbraw/zinc/91/24/65/395912465.db2.gz XJEIKHWJYXMUSC-UHFFFAOYSA-N 0 0 309.391 0.254 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000126403159 395912611 /nfs/dbraw/zinc/91/26/11/395912611.db2.gz XVQBWQBUBIUOSX-NSHDSACASA-N 0 0 316.361 0.553 10 0 DCAERN O=C(NC1CCCC1)c1ccc(NCCN2CCOCC2)nn1 ZINC000244278804 395925270 /nfs/dbraw/zinc/92/52/70/395925270.db2.gz WSVVNPRUIOMOHP-UHFFFAOYSA-N 0 0 319.409 0.893 10 0 DCAERN COc1ccccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133087 395861573 /nfs/dbraw/zinc/86/15/73/395861573.db2.gz IAHOMGWTRYTJEH-UHFFFAOYSA-N 0 0 302.334 0.955 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)O)cc1 ZINC000228064188 395870609 /nfs/dbraw/zinc/87/06/09/395870609.db2.gz OCTJOYVSFZGENT-QWRGUYRKSA-N 0 0 315.391 0.840 10 0 DCAERN CC[C@H]1NC(=O)N([C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272137730 395872805 /nfs/dbraw/zinc/87/28/05/395872805.db2.gz LFVHORKYUCKDMI-GHMZBOCLSA-N 0 0 319.365 0.554 10 0 DCAERN CSCCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000134493191 395932263 /nfs/dbraw/zinc/93/22/63/395932263.db2.gz FMHFJKJKMGTDNC-LBPRGKRZSA-N 0 0 300.424 0.979 10 0 DCAERN C[C@H](NC(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccccc1Cl ZINC000245708765 395933677 /nfs/dbraw/zinc/93/36/77/395933677.db2.gz OUEXBMGMHCPKLG-TUAOUCFPSA-N 0 0 312.797 0.945 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000134949123 395936204 /nfs/dbraw/zinc/93/62/04/395936204.db2.gz JCSFIPFZPLGNIH-UHFFFAOYSA-N 0 0 319.336 0.911 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248841819 395998772 /nfs/dbraw/zinc/99/87/72/395998772.db2.gz OBKMZZAVNMMHBH-QJPTWQEYSA-N 0 0 304.412 0.847 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422097 395940190 /nfs/dbraw/zinc/94/01/90/395940190.db2.gz LODUHOSCMDNZOQ-GFCCVEGCSA-N 0 0 301.350 0.328 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)OC)s1 ZINC000135576408 395941260 /nfs/dbraw/zinc/94/12/60/395941260.db2.gz BSILXKJVDNJREU-SNVBAGLBSA-N 0 0 319.404 0.873 10 0 DCAERN CN(C[C@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000274372715 395943006 /nfs/dbraw/zinc/94/30/06/395943006.db2.gz QOTXZNVCVCKQQB-GFCCVEGCSA-N 0 0 305.382 0.370 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)Nc1cc(C)nn1C ZINC000248873269 395999261 /nfs/dbraw/zinc/99/92/61/395999261.db2.gz VMUMGVZFZYLHKD-ZOWXZIJZSA-N 0 0 320.393 0.941 10 0 DCAERN COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)NC1 ZINC000058550406 395954382 /nfs/dbraw/zinc/95/43/82/395954382.db2.gz ADGKBZVLRPNWLW-CYBMUJFWSA-N 0 0 304.346 0.714 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC000246649026 395954868 /nfs/dbraw/zinc/95/48/68/395954868.db2.gz GDIIMONRFZUIHZ-MNOVXSKESA-N 0 0 318.377 0.383 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000141514187 395958349 /nfs/dbraw/zinc/95/83/49/395958349.db2.gz PGJIUQXTBRMIEI-IOASZLSFSA-N 0 0 319.409 0.930 10 0 DCAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC[C@H]1CCCO1 ZINC000246866249 395959486 /nfs/dbraw/zinc/95/94/86/395959486.db2.gz UMDPUPALWJGWKT-UKRRQHHQSA-N 0 0 305.378 0.830 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)C1 ZINC000246882876 395960115 /nfs/dbraw/zinc/96/01/15/395960115.db2.gz KFJGTGRJOQQMDF-UTUOFQBUSA-N 0 0 324.468 0.471 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100355 395967041 /nfs/dbraw/zinc/96/70/41/395967041.db2.gz ZGSUMHWPXXIIBB-TZMCWYRMSA-N 0 0 309.366 0.693 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000247147656 395967830 /nfs/dbraw/zinc/96/78/30/395967830.db2.gz PQVJYWFKXDYPTI-KBPBESRZSA-N 0 0 302.415 0.607 10 0 DCAERN CN1C[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)CCC1=O ZINC000150732703 395971977 /nfs/dbraw/zinc/97/19/77/395971977.db2.gz ZFXASJHQUWIREL-CYBMUJFWSA-N 0 0 313.361 0.677 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858101 395973939 /nfs/dbraw/zinc/97/39/39/395973939.db2.gz POFYNNMIVOGWQX-SNVBAGLBSA-N 0 0 310.329 0.377 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)C[C@@H](C)O1 ZINC000150880909 395974095 /nfs/dbraw/zinc/97/40/95/395974095.db2.gz PWNOGDKQXRWKLB-RNCFNFMXSA-N 0 0 303.318 0.965 10 0 DCAERN COC(=O)CNC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000151106355 395978458 /nfs/dbraw/zinc/97/84/58/395978458.db2.gz QAXNHRVAUOTNSE-LBPRGKRZSA-N 0 0 306.366 0.105 10 0 DCAERN O=C(NCCOc1ncccc1C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000151353007 395984259 /nfs/dbraw/zinc/98/42/59/395984259.db2.gz RBRGRZUZYRKXAI-MRVPVSSYSA-N 0 0 317.267 0.732 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)C1 ZINC000066105475 396001461 /nfs/dbraw/zinc/00/14/61/396001461.db2.gz RERRUMPEDDMKKU-QWHCGFSZSA-N 0 0 317.455 0.941 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000064248327 395985235 /nfs/dbraw/zinc/98/52/35/395985235.db2.gz WLIDLURNPWNGGU-OLZOCXBDSA-N 0 0 321.425 0.910 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000064099275 395985241 /nfs/dbraw/zinc/98/52/41/395985241.db2.gz YMUYVUORHSBWTH-VXGBXAGGSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1noc(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC000151467055 395985997 /nfs/dbraw/zinc/98/59/97/395985997.db2.gz ASJJDIDZRWNSPW-WDEREUQCSA-N 0 0 307.354 0.373 10 0 DCAERN CN(CCCNC(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccccc1 ZINC000248395125 395985980 /nfs/dbraw/zinc/98/59/80/395985980.db2.gz ODOYHSAHZOFRBK-CVEARBPZSA-N 0 0 321.421 0.057 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCCn1cnnc1C ZINC000151509733 395987336 /nfs/dbraw/zinc/98/73/36/395987336.db2.gz CTGGPRWTCBQISL-GFCCVEGCSA-N 0 0 310.402 0.581 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000248482028 395989143 /nfs/dbraw/zinc/98/91/43/395989143.db2.gz SYTRLMNEIKDMNB-LOWVWBTDSA-N 0 0 302.396 0.979 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N(C)CCCCO ZINC000276281755 395989568 /nfs/dbraw/zinc/98/95/68/395989568.db2.gz WVVHBPASTSQCAH-UHFFFAOYSA-N 0 0 301.364 0.866 10 0 DCAERN CCn1cc([C@H]2CN([C@H](C)C(=O)NCCCOC)CCO2)cn1 ZINC000248795184 395997126 /nfs/dbraw/zinc/99/71/26/395997126.db2.gz OSQPCKRSMWRMIO-UKRRQHHQSA-N 0 0 324.425 0.818 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CNC(N)=O ZINC000067174608 396022084 /nfs/dbraw/zinc/02/20/84/396022084.db2.gz NHXWISXBDOLOHR-UHFFFAOYSA-N 0 0 300.265 0.030 10 0 DCAERN CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)N1CCOCC1 ZINC000153229340 396022277 /nfs/dbraw/zinc/02/22/77/396022277.db2.gz LSEHFWILWRNBGT-MJBXVCDLSA-N 0 0 301.431 0.659 10 0 DCAERN Nc1ccnc(CNC(=O)[C@H]2CCCN2c2nccs2)n1 ZINC000154036373 396029909 /nfs/dbraw/zinc/02/99/09/396029909.db2.gz NSDHADBDMBPATB-SECBINFHSA-N 0 0 304.379 0.801 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000154120727 396032037 /nfs/dbraw/zinc/03/20/37/396032037.db2.gz YJOHOKVRMSCFMS-QWRGUYRKSA-N 0 0 321.381 0.215 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)c(C)c1 ZINC000154139299 396032252 /nfs/dbraw/zinc/03/22/52/396032252.db2.gz IQUPSKSBWCIHQH-OAHLLOKOSA-N 0 0 322.405 0.492 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154144521 396033022 /nfs/dbraw/zinc/03/30/22/396033022.db2.gz WHSZACULQNZVKP-CQSZACIVSA-N 0 0 324.446 0.896 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154196579 396033812 /nfs/dbraw/zinc/03/38/12/396033812.db2.gz CLOVCJKTUOJIOS-ZDUSSCGKSA-N 0 0 310.398 0.558 10 0 DCAERN CCn1cc(C(=O)C(=O)NCCCCN2CCOCC2)cn1 ZINC000154211192 396034570 /nfs/dbraw/zinc/03/45/70/396034570.db2.gz GUQKYBWYYHPUEQ-UHFFFAOYSA-N 0 0 308.382 0.314 10 0 DCAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cnn([C@@H]2CCOC2)c1 ZINC000154263266 396034800 /nfs/dbraw/zinc/03/48/00/396034800.db2.gz SBGQVHOFABHSIN-RTXFEEFZSA-N 0 0 315.395 0.426 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)N[C@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000276905787 396035353 /nfs/dbraw/zinc/03/53/53/396035353.db2.gz OFZRZLBTWAUQDU-STQMWFEESA-N 0 0 321.381 0.217 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CCC1=O ZINC000154260459 396035441 /nfs/dbraw/zinc/03/54/41/396035441.db2.gz WWNVCWKOTSJMHP-AAEUAGOBSA-N 0 0 322.340 0.272 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000155492508 396052710 /nfs/dbraw/zinc/05/27/10/396052710.db2.gz HEYRGFMCDKXXTK-CYBMUJFWSA-N 0 0 318.377 0.336 10 0 DCAERN COC(=O)c1cc(CN2CCS(=O)(=O)[C@H](C)C2)oc1C ZINC000155503583 396053296 /nfs/dbraw/zinc/05/32/96/396053296.db2.gz NDTGLAJUKLQGSU-SECBINFHSA-N 0 0 301.364 0.994 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000155959782 396060061 /nfs/dbraw/zinc/06/00/61/396060061.db2.gz ADTVIZLOUVGDQF-BDAKNGLRSA-N 0 0 308.363 0.447 10 0 DCAERN Cc1nc(C(=O)N2CCS[C@H]3COCC[C@H]32)c(=O)[nH]c1C ZINC000159271233 396066629 /nfs/dbraw/zinc/06/66/29/396066629.db2.gz PRTHSGCNEZNEAE-MNOVXSKESA-N 0 0 309.391 0.733 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H](O)C1 ZINC000249371178 396006926 /nfs/dbraw/zinc/00/69/26/396006926.db2.gz BPAZHVLLEJVQQC-CHWSQXEVSA-N 0 0 305.382 0.612 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)N1CCN2C(=O)NC[C@H]2C1 ZINC000152952469 396018670 /nfs/dbraw/zinc/01/86/70/396018670.db2.gz VCBCLBXADYJAKE-LBPRGKRZSA-N 0 0 324.331 0.926 10 0 DCAERN Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000153021004 396018979 /nfs/dbraw/zinc/01/89/79/396018979.db2.gz MHEYNHOLPGMXFF-YPMHNXCESA-N 0 0 301.346 0.353 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cn1 ZINC000262021246 396090845 /nfs/dbraw/zinc/09/08/45/396090845.db2.gz ROLRSQROKJXUIQ-CQSZACIVSA-N 0 0 311.345 0.362 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C(=O)N2CCC[C@@H](C)C2)n1 ZINC000277888350 396093155 /nfs/dbraw/zinc/09/31/55/396093155.db2.gz FJRAVBKZOHXEND-YUSALJHKSA-N 0 0 322.365 0.271 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094480 396106486 /nfs/dbraw/zinc/10/64/86/396106486.db2.gz FBAXHKOEBRNVAW-NSHDSACASA-N 0 0 319.814 0.485 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)no1 ZINC000171240819 396111981 /nfs/dbraw/zinc/11/19/81/396111981.db2.gz IMGOCMTXWNGKOP-LLVKDONJSA-N 0 0 319.365 0.767 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCOC1)N1C(=O)c2ccccc2C1=O ZINC000171701278 396122288 /nfs/dbraw/zinc/12/22/88/396122288.db2.gz JOONFDQDDGTAJC-QWRGUYRKSA-N 0 0 302.330 0.966 10 0 DCAERN O=C(CN1CCO[C@@H](Cn2cncn2)C1)Nc1cccnc1 ZINC000072253406 396128378 /nfs/dbraw/zinc/12/83/78/396128378.db2.gz XDMMUAUNKJNHNN-CYBMUJFWSA-N 0 0 302.338 0.013 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N(CCO)Cc1ccccc1 ZINC000172401690 396131399 /nfs/dbraw/zinc/13/13/99/396131399.db2.gz BFIQLVVSFQAWDX-UHFFFAOYSA-N 0 0 313.357 0.833 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000174488244 396138648 /nfs/dbraw/zinc/13/86/48/396138648.db2.gz MZBFWQTVSOBBHA-LSDHHAIUSA-N 0 0 312.410 0.363 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000069337801 396075434 /nfs/dbraw/zinc/07/54/34/396075434.db2.gz YMUYVUORHSBWTH-NWDGAFQWSA-N 0 0 309.410 0.666 10 0 DCAERN COc1ccccc1OCCN(C)C(=O)[C@H]1NCCO[C@@H]1C ZINC000261892883 396076817 /nfs/dbraw/zinc/07/68/17/396076817.db2.gz GULOSFMSPSKRPT-DOMZBBRYSA-N 0 0 308.378 0.909 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000162370309 396080329 /nfs/dbraw/zinc/08/03/29/396080329.db2.gz XHMGPPKDFDHEHX-ZDUSSCGKSA-N 0 0 304.394 0.727 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 ZINC000178749273 396207404 /nfs/dbraw/zinc/20/74/04/396207404.db2.gz NXTCMUDKXINYBI-LBPRGKRZSA-N 0 0 307.354 0.717 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCC(=O)N(C)C ZINC000175875224 396144157 /nfs/dbraw/zinc/14/41/57/396144157.db2.gz RMEKDOJRVBGAIQ-CYBMUJFWSA-N 0 0 307.398 0.844 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176083356 396149677 /nfs/dbraw/zinc/14/96/77/396149677.db2.gz TZEJWTJAIDRKKI-PELKAZGASA-N 0 0 307.325 0.991 10 0 DCAERN CN(C(=O)NCCCn1nc2n(c1=O)CCCC2)C1CCC1 ZINC000073753951 396150357 /nfs/dbraw/zinc/15/03/57/396150357.db2.gz FQNMOYJVVCIDNM-UHFFFAOYSA-N 0 0 307.398 0.965 10 0 DCAERN O=C(c1ccc(-c2ncon2)cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176237206 396152332 /nfs/dbraw/zinc/15/23/32/396152332.db2.gz XKNODWBRSQBLHL-GFCCVEGCSA-N 0 0 313.317 0.586 10 0 DCAERN Cc1cnn(CCNC(=O)CCOc2ccc(C(N)=O)cc2)c1 ZINC000176420476 396155099 /nfs/dbraw/zinc/15/50/99/396155099.db2.gz DZTAUJZGHCKWQR-UHFFFAOYSA-N 0 0 316.361 0.876 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCCn2ncnc21 ZINC000176579875 396157537 /nfs/dbraw/zinc/15/75/37/396157537.db2.gz XDSXRWSHUZRTDG-GXSJLCMTSA-N 0 0 304.354 0.176 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1cccc2ncccc21 ZINC000074136832 396158396 /nfs/dbraw/zinc/15/83/96/396158396.db2.gz UHZVKUOPNYRGHS-UHFFFAOYSA-N 0 0 307.375 0.904 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000176855314 396161642 /nfs/dbraw/zinc/16/16/42/396161642.db2.gz VBVNWFOORMXCJW-LLVKDONJSA-N 0 0 306.366 0.319 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)nc1 ZINC000177576449 396179809 /nfs/dbraw/zinc/17/98/09/396179809.db2.gz GONJAUCICGJBQR-SNVBAGLBSA-N 0 0 301.306 0.725 10 0 DCAERN COCC(=O)N[C@H]1C[C@@H](CO)N(Cc2cc(F)ccc2F)C1 ZINC000075403550 396180163 /nfs/dbraw/zinc/18/01/63/396180163.db2.gz LSAMBMVUMNPJLN-STQMWFEESA-N 0 0 314.332 0.663 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)cn1 ZINC000177789031 396183790 /nfs/dbraw/zinc/18/37/90/396183790.db2.gz HCZOUXZOZJCNGL-NWDGAFQWSA-N 0 0 322.409 0.999 10 0 DCAERN O=C(CNC(=O)[C@H]1CC(F)(F)CN1)NCCc1ccccc1 ZINC000262905163 396190976 /nfs/dbraw/zinc/19/09/76/396190976.db2.gz FBJRCJPWQWCTDJ-GFCCVEGCSA-N 0 0 311.332 0.459 10 0 DCAERN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H]1C ZINC000076000711 396191072 /nfs/dbraw/zinc/19/10/72/396191072.db2.gz QUJCZFJNFAIPQW-OQPBUACISA-N 0 0 315.377 0.902 10 0 DCAERN Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CC(F)(F)CN2)no1 ZINC000262941341 396192813 /nfs/dbraw/zinc/19/28/13/396192813.db2.gz IVBHCSNJHUXYPE-QMMMGPOBSA-N 0 0 302.281 0.377 10 0 DCAERN CCNS(=O)(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000178862954 396212078 /nfs/dbraw/zinc/21/20/78/396212078.db2.gz DVQZRYITHUZEBC-JTQLQIEISA-N 0 0 323.212 0.926 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000178565031 396199166 /nfs/dbraw/zinc/19/91/66/396199166.db2.gz FVJYODDVKFBHNZ-NSHDSACASA-N 0 0 300.318 0.266 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)no1 ZINC000263049350 396199254 /nfs/dbraw/zinc/19/92/54/396199254.db2.gz UJOGVIGTNZZOOR-GFCCVEGCSA-N 0 0 314.336 0.624 10 0 DCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC(F)(F)CN1 ZINC000263097204 396201423 /nfs/dbraw/zinc/20/14/23/396201423.db2.gz YZKFVUPVUKLFDP-DTWKUNHWSA-N 0 0 315.286 0.984 10 0 DCAERN COCCN1C[C@H](C(=O)NCCCc2ccccn2)CC1=O ZINC000178626543 396201953 /nfs/dbraw/zinc/20/19/53/396201953.db2.gz HIRRUISXIYMHDO-CYBMUJFWSA-N 0 0 305.378 0.625 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)CCN1CCOC ZINC000263118261 396202122 /nfs/dbraw/zinc/20/21/22/396202122.db2.gz ATGVAYPYDZNUML-NEPJUHHUSA-N 0 0 305.369 0.553 10 0 DCAERN CCCS(=O)(=O)CC(=O)NCCCc1c(C)nn(C)c1C ZINC000180772979 396234885 /nfs/dbraw/zinc/23/48/85/396234885.db2.gz MXEDDFMZJBVCKL-UHFFFAOYSA-N 0 0 315.439 0.911 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000181410697 396238965 /nfs/dbraw/zinc/23/89/65/396238965.db2.gz QCGLWGMBPFHNHD-CMPLNLGQSA-N 0 0 304.389 0.235 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000281800622 396241011 /nfs/dbraw/zinc/24/10/11/396241011.db2.gz LRKWSYZLSHFJQN-HZMBPMFUSA-N 0 0 303.362 0.924 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCCn2ccnn2)c(C)c1 ZINC000181785914 396242412 /nfs/dbraw/zinc/24/24/12/396242412.db2.gz OFAMLNBZBOTIQN-UHFFFAOYSA-N 0 0 317.349 0.740 10 0 DCAERN CCNC(=O)CN(CC)C(=O)c1cnc2c(cnn2C)c1OC ZINC000181803735 396243390 /nfs/dbraw/zinc/24/33/90/396243390.db2.gz XTQKKLOYLKXASE-UHFFFAOYSA-N 0 0 319.365 0.575 10 0 DCAERN C[C@@H](NCc1nc(N)nc(N)n1)c1ccc(-n2ccnn2)cc1 ZINC000182027678 396246118 /nfs/dbraw/zinc/24/61/18/396246118.db2.gz YSIDQRBFOZOIHE-SECBINFHSA-N 0 0 311.353 0.468 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000078547848 396247456 /nfs/dbraw/zinc/24/74/56/396247456.db2.gz GRRXIAGPWGLPQX-AWEZNQCLSA-N 0 0 317.389 0.804 10 0 DCAERN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000078642646 396250812 /nfs/dbraw/zinc/25/08/12/396250812.db2.gz ISAUDRRTLGQTMW-MRVPVSSYSA-N 0 0 302.327 0.382 10 0 DCAERN Cn1nnc2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc21 ZINC000182616368 396252809 /nfs/dbraw/zinc/25/28/09/396252809.db2.gz VTDHCPVMGXHCIE-UHFFFAOYSA-N 0 0 309.329 0.997 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1N1CCOCC1 ZINC000182787991 396254153 /nfs/dbraw/zinc/25/41/53/396254153.db2.gz FWZSHVKZRUPCBM-BXUZGUMPSA-N 0 0 315.377 0.751 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)NCCCn2ccnn2)cs1 ZINC000182959087 396257501 /nfs/dbraw/zinc/25/75/01/396257501.db2.gz HWKBQLLHBIYZTG-UHFFFAOYSA-N 0 0 314.392 0.563 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000079252483 396263266 /nfs/dbraw/zinc/26/32/66/396263266.db2.gz MTSZUQTUYUGBNS-GXTWGEPZSA-N 0 0 312.414 0.017 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)n1 ZINC000183486058 396270104 /nfs/dbraw/zinc/27/01/04/396270104.db2.gz DGECVNORXWSBTG-HNNXBMFYSA-N 0 0 317.393 0.704 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)C(=O)Nc1ccccc1 ZINC000183569845 396271065 /nfs/dbraw/zinc/27/10/65/396271065.db2.gz JTTGDMJZNODPDA-LBPRGKRZSA-N 0 0 316.365 0.995 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(=O)OC)co1)CC2 ZINC000183662469 396272382 /nfs/dbraw/zinc/27/23/82/396272382.db2.gz NQYZYLPJCUZXPX-SNVBAGLBSA-N 0 0 318.333 0.965 10 0 DCAERN COc1cc(N2CCN(C(=O)c3cnccn3)CC2)ncn1 ZINC000183821837 396275825 /nfs/dbraw/zinc/27/58/25/396275825.db2.gz QVLCXZZJXNVGNT-UHFFFAOYSA-N 0 0 300.322 0.238 10 0 DCAERN COC(=O)c1coc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000183813048 396275984 /nfs/dbraw/zinc/27/59/84/396275984.db2.gz SQERVVZDQRYCNS-AAEUAGOBSA-N 0 0 322.361 0.859 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCO[C@]2(CCOC2)C1 ZINC000183829120 396276088 /nfs/dbraw/zinc/27/60/88/396276088.db2.gz VZQHFUXUYHIIDW-MRXNPFEDSA-N 0 0 322.336 0.573 10 0 DCAERN COC(=O)c1coc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000183813030 396276111 /nfs/dbraw/zinc/27/61/11/396276111.db2.gz SQERVVZDQRYCNS-YPMHNXCESA-N 0 0 322.361 0.859 10 0 DCAERN COc1ccccc1C(=O)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000183881705 396276690 /nfs/dbraw/zinc/27/66/90/396276690.db2.gz JPTXIXZLAGLBIT-ZDUSSCGKSA-N 0 0 318.373 0.857 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CC(=O)N(C)[C@H](C)C1 ZINC000282309316 396279835 /nfs/dbraw/zinc/27/98/35/396279835.db2.gz SZMNXWOQALALPK-LLVKDONJSA-N 0 0 303.362 0.990 10 0 DCAERN CC(=O)Nc1cc(S(=O)(=O)NCC[C@@H](C)O)ccc1F ZINC000178906942 396213786 /nfs/dbraw/zinc/21/37/86/396213786.db2.gz CZSMJXQGPYZMJX-MRVPVSSYSA-N 0 0 304.343 0.833 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2nc(C)nc(N(C)C)n2)C1 ZINC000263557184 396220834 /nfs/dbraw/zinc/22/08/34/396220834.db2.gz PCZPIWJKNGOCSI-UHFFFAOYSA-N 0 0 308.386 0.595 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)NCCC(=O)N1CCCCCC1 ZINC000263684070 396223485 /nfs/dbraw/zinc/22/34/85/396223485.db2.gz FJRYUGRTROWATE-CYBMUJFWSA-N 0 0 322.413 0.759 10 0 DCAERN CCC[C@@H](CCO)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179454260 396227471 /nfs/dbraw/zinc/22/74/71/396227471.db2.gz URYPAGKDGVFRCV-NSHDSACASA-N 0 0 311.386 0.549 10 0 DCAERN O=C(NC[C@H]1CCCCO1)N1CCN(c2cccnn2)CC1 ZINC000263736683 396227487 /nfs/dbraw/zinc/22/74/87/396227487.db2.gz NXLSDNCBNKDJQT-CYBMUJFWSA-N 0 0 305.382 0.877 10 0 DCAERN O=C(C[C@H](O)c1ccccc1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000179766598 396229098 /nfs/dbraw/zinc/22/90/98/396229098.db2.gz UQYHHCJOXNWZLB-OLZOCXBDSA-N 0 0 302.330 0.516 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NCC[C@@H](C)O)c2)n[nH]1 ZINC000077767929 396231912 /nfs/dbraw/zinc/23/19/12/396231912.db2.gz GRSQYUITBZNLPT-SECBINFHSA-N 0 0 317.349 0.606 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000180180642 396232032 /nfs/dbraw/zinc/23/20/32/396232032.db2.gz GCCGWQBFTOINIZ-NSHDSACASA-N 0 0 303.366 0.487 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000077808317 396233456 /nfs/dbraw/zinc/23/34/56/396233456.db2.gz HYJAJBBHVLJWGL-QWHCGFSZSA-N 0 0 322.409 0.399 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCO1 ZINC000184996380 396313423 /nfs/dbraw/zinc/31/34/23/396313423.db2.gz UPGFLNGDYTVQQF-ZDUSSCGKSA-N 0 0 306.322 0.449 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000185033987 396315366 /nfs/dbraw/zinc/31/53/66/396315366.db2.gz TWUUDYLLCZRLRH-ZIAGYGMSSA-N 0 0 321.421 0.572 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000083724832 396316388 /nfs/dbraw/zinc/31/63/88/396316388.db2.gz OUDZPVOKQQOKKS-VXGBXAGGSA-N 0 0 320.397 0.730 10 0 DCAERN CC[C@@H](NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000185085112 396316848 /nfs/dbraw/zinc/31/68/48/396316848.db2.gz OSOISZVELSGCNM-GHMZBOCLSA-N 0 0 310.423 0.908 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185088301 396316918 /nfs/dbraw/zinc/31/69/18/396316918.db2.gz HAOZZCRJKBZAOV-STQMWFEESA-N 0 0 312.410 0.993 10 0 DCAERN CCCCOCCNC(=O)CN1CCO[C@]2(CCOC2)C1 ZINC000185198461 396321108 /nfs/dbraw/zinc/32/11/08/396321108.db2.gz ZFTZTITWRHDMPV-OAHLLOKOSA-N 0 0 300.399 0.411 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccc3c2OCO3)CC(=O)N1C ZINC000282416588 396288830 /nfs/dbraw/zinc/28/88/30/396288830.db2.gz DSMAZFHVZSESGI-SNVBAGLBSA-N 0 0 305.334 0.787 10 0 DCAERN C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)c1nnc2ccccn21 ZINC000184356710 396292320 /nfs/dbraw/zinc/29/23/20/396292320.db2.gz OKODDBAZJHXWBI-DCAQKATOSA-N 0 0 310.379 0.887 10 0 DCAERN CSCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000184492313 396296605 /nfs/dbraw/zinc/29/66/05/396296605.db2.gz XPIOKDSGXZMNKI-AWEZNQCLSA-N 0 0 322.430 0.936 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000184510607 396297985 /nfs/dbraw/zinc/29/79/85/396297985.db2.gz ANGLAIRKFKXLQS-UHFFFAOYSA-N 0 0 304.393 0.360 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185159312 396320162 /nfs/dbraw/zinc/32/01/62/396320162.db2.gz ZJCLCDCIDMJXPY-QWRGUYRKSA-N 0 0 311.348 0.442 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000184933237 396310921 /nfs/dbraw/zinc/31/09/21/396310921.db2.gz QYVKUAFUVAXJKA-MRVPVSSYSA-N 0 0 303.313 0.082 10 0 DCAERN CNC(=O)NC(=O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185452584 396328151 /nfs/dbraw/zinc/32/81/51/396328151.db2.gz QSVWLUHMUUOVJM-JTQLQIEISA-N 0 0 302.338 0.374 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc(F)c(F)cc2F)C1 ZINC000185279704 396323804 /nfs/dbraw/zinc/32/38/04/396323804.db2.gz MNOMCQKPPBSKNT-UHFFFAOYSA-N 0 0 302.252 0.691 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H](CO)CC(C)C)CC2 ZINC000185346310 396325103 /nfs/dbraw/zinc/32/51/03/396325103.db2.gz AYTWJYHPAIWYJJ-CHWSQXEVSA-N 0 0 309.414 0.950 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000185551949 396330488 /nfs/dbraw/zinc/33/04/88/396330488.db2.gz MFMOGJYMKOZWOM-UHFFFAOYSA-N 0 0 310.379 0.475 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)c2c(C)noc2C)C1 ZINC000185710045 396333005 /nfs/dbraw/zinc/33/30/05/396333005.db2.gz GREZYPVCHQQVFZ-VIFPVBQESA-N 0 0 324.381 0.551 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N(CCO)C1CC1 ZINC000185684510 396333265 /nfs/dbraw/zinc/33/32/65/396333265.db2.gz RXHLFLRYOLEIKT-UHFFFAOYSA-N 0 0 321.381 0.705 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185470454 396328889 /nfs/dbraw/zinc/32/88/89/396328889.db2.gz HQVJQCSANIJWGZ-ZETCQYMHSA-N 0 0 301.290 0.447 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCCC[C@@]1(C)C(N)=O ZINC000185884957 396336418 /nfs/dbraw/zinc/33/64/18/396336418.db2.gz NAHNVNPJRSZPOD-INIZCTEOSA-N 0 0 313.442 0.895 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920420 396337144 /nfs/dbraw/zinc/33/71/44/396337144.db2.gz IKJALASJYRBGDS-NSHDSACASA-N 0 0 324.303 0.104 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186085566 396340607 /nfs/dbraw/zinc/34/06/07/396340607.db2.gz YPDLHAYKBHHDLN-ABAIWWIYSA-N 0 0 308.334 0.416 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186079743 396340515 /nfs/dbraw/zinc/34/05/15/396340515.db2.gz WYOHYKWYLRFNLO-NWDGAFQWSA-N 0 0 313.423 0.344 10 0 DCAERN CC[C@H](O)CCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186188155 396344088 /nfs/dbraw/zinc/34/40/88/396344088.db2.gz SRNFHJLBEDFSQJ-LBPRGKRZSA-N 0 0 323.397 0.999 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1F ZINC000186294364 396346606 /nfs/dbraw/zinc/34/66/06/396346606.db2.gz BUNPMGKJFDWELF-UHFFFAOYSA-N 0 0 323.368 0.463 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@H](C)C2)cc1 ZINC000186564180 396352669 /nfs/dbraw/zinc/35/26/69/396352669.db2.gz XPQJUASXHVHGTP-SNVBAGLBSA-N 0 0 310.375 0.646 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CCC1=O ZINC000186596600 396353052 /nfs/dbraw/zinc/35/30/52/396353052.db2.gz YHYQFQKJUNTORJ-VIFPVBQESA-N 0 0 300.314 0.964 10 0 DCAERN Cn1nccc1CCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000186581558 396353283 /nfs/dbraw/zinc/35/32/83/396353283.db2.gz PTKPQOHKZJIAMQ-ZDUSSCGKSA-N 0 0 314.393 0.928 10 0 DCAERN CC1(C)CN(CCNC(=O)N2CC(NC(=O)C3CC3)C2)CCO1 ZINC000186748020 396356896 /nfs/dbraw/zinc/35/68/96/396356896.db2.gz ZZXIRGSQFAMXRL-UHFFFAOYSA-N 0 0 324.425 0.017 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000187826620 396374807 /nfs/dbraw/zinc/37/48/07/396374807.db2.gz BJQFXGQHFHCFFQ-SNVBAGLBSA-N 0 0 300.403 0.409 10 0 DCAERN COC[C@@H](C)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000187384071 396368587 /nfs/dbraw/zinc/36/85/87/396368587.db2.gz GWVQVAYMEGTJMV-LBPRGKRZSA-N 0 0 317.411 0.405 10 0 DCAERN NC(=O)NC1CCN(c2ncncc2Br)CC1 ZINC000268849170 396375049 /nfs/dbraw/zinc/37/50/49/396375049.db2.gz XPUFHKSYNUDIFA-UHFFFAOYSA-N 0 0 300.160 0.876 10 0 DCAERN COC[C@H](C)CN1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000187448955 396369634 /nfs/dbraw/zinc/36/96/34/396369634.db2.gz HCIHAHCCXJZJKH-CQSZACIVSA-N 0 0 322.471 0.641 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)C[C@@H](C)O1 ZINC000187610177 396371794 /nfs/dbraw/zinc/37/17/94/396371794.db2.gz JRPPVSSPVKJFQD-GRYCIOLGSA-N 0 0 309.370 0.558 10 0 DCAERN O=C(CN1CCCC1=O)N1CCCN(c2ccccn2)CC1 ZINC000186390961 396349337 /nfs/dbraw/zinc/34/93/37/396349337.db2.gz DJURWKOSYJCZRW-UHFFFAOYSA-N 0 0 302.378 0.743 10 0 DCAERN C[C@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCC1=O ZINC000186545911 396352103 /nfs/dbraw/zinc/35/21/03/396352103.db2.gz CZJCREWSEUDLKP-NSHDSACASA-N 0 0 304.346 0.992 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208148 396380985 /nfs/dbraw/zinc/38/09/85/396380985.db2.gz BYBZSMZLXIZBJU-KGLIPLIRSA-N 0 0 303.362 0.331 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)Cc1ccccc1F ZINC000188725594 396384989 /nfs/dbraw/zinc/38/49/89/396384989.db2.gz XCOHYNYRCFYBAI-PSOPSSQASA-N 0 0 308.353 0.855 10 0 DCAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Cn1cccn1 ZINC000188818351 396387173 /nfs/dbraw/zinc/38/71/73/396387173.db2.gz BIDOINWSOTYDDA-GFCCVEGCSA-N 0 0 319.409 0.829 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188904248 396388806 /nfs/dbraw/zinc/38/88/06/396388806.db2.gz CEUYEXWETUPSAB-UHFFFAOYSA-N 0 0 324.425 0.459 10 0 DCAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCO[C@H](CO)C1 ZINC000269165025 396390883 /nfs/dbraw/zinc/39/08/83/396390883.db2.gz FBFIMCIOFQARDG-JTQLQIEISA-N 0 0 308.309 0.544 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000189117026 396390968 /nfs/dbraw/zinc/39/09/68/396390968.db2.gz GKYQAHFJIBUSCT-YIYPIFLZSA-N 0 0 310.394 0.432 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCCNC(=O)[C@H]3C)nc12 ZINC000189317259 396393168 /nfs/dbraw/zinc/39/31/68/396393168.db2.gz DDWGMALISWPMTR-GFCCVEGCSA-N 0 0 300.362 0.713 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189405679 396395364 /nfs/dbraw/zinc/39/53/64/396395364.db2.gz KRAHKHDIPZWOSJ-LLVKDONJSA-N 0 0 318.373 0.683 10 0 DCAERN Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189750285 396398215 /nfs/dbraw/zinc/39/82/15/396398215.db2.gz JEZZJSXLOUCIHX-ZDUSSCGKSA-N 0 0 317.389 0.804 10 0 DCAERN CCN(CC(N)=O)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000189727217 396398232 /nfs/dbraw/zinc/39/82/32/396398232.db2.gz YOWMGZGJLWEAHF-UHFFFAOYSA-N 0 0 307.325 0.900 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC[C@H]2c3ccccc3NC2=O)C1 ZINC000189728900 396398426 /nfs/dbraw/zinc/39/84/26/396398426.db2.gz KXWIVPUXSVIBTL-ZDUSSCGKSA-N 0 0 316.361 0.642 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccn(CCOC)n1)CC2 ZINC000189815111 396400108 /nfs/dbraw/zinc/40/01/08/396400108.db2.gz GKMRBVLXTCBEQL-NSHDSACASA-N 0 0 318.381 0.428 10 0 DCAERN C[C@@H]1CN(C(=O)c2csc(NC3CC3)n2)CCS1(=O)=O ZINC000269274131 396402706 /nfs/dbraw/zinc/40/27/06/396402706.db2.gz OHDYXEBSYRJJQR-MRVPVSSYSA-N 0 0 315.420 0.977 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190204084 396402940 /nfs/dbraw/zinc/40/29/40/396402940.db2.gz HDFWIJYJAGYLOR-QWRGUYRKSA-N 0 0 310.398 0.306 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190176134 396402990 /nfs/dbraw/zinc/40/29/90/396402990.db2.gz OZPBPPAWYFRRTJ-GHMZBOCLSA-N 0 0 309.370 0.423 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CC(CC(N)=O)C1 ZINC000287500667 396404539 /nfs/dbraw/zinc/40/45/39/396404539.db2.gz UMPJPZHXBVVRGF-UHFFFAOYSA-N 0 0 303.771 0.539 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000190321164 396405022 /nfs/dbraw/zinc/40/50/22/396405022.db2.gz KGTOWUHUUGDDQA-DGCLKSJQSA-N 0 0 314.411 0.497 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)NCCCN1C(=O)CNC1=O ZINC000269309118 396406206 /nfs/dbraw/zinc/40/62/06/396406206.db2.gz XTTHJKMQLAZTHN-LLVKDONJSA-N 0 0 311.382 0.830 10 0 DCAERN CCNC(=O)CN1CCCN(C(=O)N(C)CCCOC)CC1 ZINC000190525673 396407208 /nfs/dbraw/zinc/40/72/08/396407208.db2.gz YREBULOANGGICO-UHFFFAOYSA-N 0 0 314.430 0.219 10 0 DCAERN CCN1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)CC1=O ZINC000190528851 396407824 /nfs/dbraw/zinc/40/78/24/396407824.db2.gz DCXRNDGHXPXVOB-UHFFFAOYSA-N 0 0 303.322 0.490 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCCN(C)C(=O)C1 ZINC000190632784 396408822 /nfs/dbraw/zinc/40/88/22/396408822.db2.gz IXNCUCNMJHZXAK-LBPRGKRZSA-N 0 0 312.414 0.555 10 0 DCAERN CCN1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1=O ZINC000190647228 396409850 /nfs/dbraw/zinc/40/98/50/396409850.db2.gz RMJLBQQIYWZDLT-UHFFFAOYSA-N 0 0 308.281 0.914 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N(C)CCCOC)CCO2)[nH]1 ZINC000190727620 396410858 /nfs/dbraw/zinc/41/08/58/396410858.db2.gz YSIHXXVWBGJNNW-LLVKDONJSA-N 0 0 311.386 0.829 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CCNC(=O)CC2)s1 ZINC000190818666 396411901 /nfs/dbraw/zinc/41/19/01/396411901.db2.gz INUJDDQKSJTKFN-UHFFFAOYSA-N 0 0 310.379 0.383 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)C1 ZINC000190949946 396413168 /nfs/dbraw/zinc/41/31/68/396413168.db2.gz LXDJZFNKVSHFNY-LLVKDONJSA-N 0 0 322.390 0.551 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000190993070 396413612 /nfs/dbraw/zinc/41/36/12/396413612.db2.gz MVSSGFZBEWZIGV-MRVPVSSYSA-N 0 0 320.802 0.281 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1=O ZINC000191042731 396414630 /nfs/dbraw/zinc/41/46/30/396414630.db2.gz PHIZSDAVVIWWPB-UHFFFAOYSA-N 0 0 315.333 0.192 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCCN(C)C(=O)C1 ZINC000191157514 396415718 /nfs/dbraw/zinc/41/57/18/396415718.db2.gz HTOZEBOJKUYWAI-UHFFFAOYSA-N 0 0 307.369 0.948 10 0 DCAERN C[C@@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1nnc2ccccn21 ZINC000191176019 396416721 /nfs/dbraw/zinc/41/67/21/396416721.db2.gz TXUUIOUHFGUQBD-GHMZBOCLSA-N 0 0 316.365 0.710 10 0 DCAERN C[C@@H](NC(=O)NCCS(N)(=O)=O)c1cccc(Cl)c1 ZINC000193148979 396445088 /nfs/dbraw/zinc/44/50/88/396445088.db2.gz NAGDNZULXLHONL-MRVPVSSYSA-N 0 0 305.787 0.989 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCc1ccc(C2CC2)cc1 ZINC000191314495 396418031 /nfs/dbraw/zinc/41/80/31/396418031.db2.gz JXJIOLWCIAGGFI-UHFFFAOYSA-N 0 0 300.318 0.453 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1=O ZINC000191507769 396420548 /nfs/dbraw/zinc/42/05/48/396420548.db2.gz JINIMFPNLHJOMQ-JTQLQIEISA-N 0 0 319.365 0.441 10 0 DCAERN CCN1CN(CC(=O)Nc2cccc(NC(C)=O)c2)CC1=O ZINC000191556485 396421038 /nfs/dbraw/zinc/42/10/38/396421038.db2.gz FVODNUUPQTZTGQ-UHFFFAOYSA-N 0 0 304.350 0.705 10 0 DCAERN CCOc1cccc(CNC(=O)CN2CC(=O)N(CC)C2)c1 ZINC000191560872 396421044 /nfs/dbraw/zinc/42/10/44/396421044.db2.gz YZGSDUGTJUFXDH-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN CCN1CN(CC(=O)NCc2cccc(COC)c2)CC1=O ZINC000191578071 396422138 /nfs/dbraw/zinc/42/21/38/396422138.db2.gz FQBDFLGPNXRDPE-UHFFFAOYSA-N 0 0 305.378 0.571 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000191745862 396424084 /nfs/dbraw/zinc/42/40/84/396424084.db2.gz MNPSCRFGGSIVFU-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN CCN1CN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O ZINC000191894747 396426594 /nfs/dbraw/zinc/42/65/94/396426594.db2.gz LECZZIQCWXUPFW-UHFFFAOYSA-N 0 0 314.349 0.599 10 0 DCAERN Cc1nnc([C@H]2CN(c3ncnc4onc(C)c43)CCO2)[nH]1 ZINC000192480468 396431628 /nfs/dbraw/zinc/43/16/28/396431628.db2.gz XVGHZLUPCKTOQZ-SECBINFHSA-N 0 0 301.310 0.931 10 0 DCAERN CSCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000192954808 396440728 /nfs/dbraw/zinc/44/07/28/396440728.db2.gz IIGGFMQCOZNLCN-GFCCVEGCSA-N 0 0 300.424 0.837 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCO)CC(F)F ZINC000193041724 396442164 /nfs/dbraw/zinc/44/21/64/396442164.db2.gz RTSYTTKIXJFHJN-UHFFFAOYSA-N 0 0 317.745 0.630 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188177027 396379648 /nfs/dbraw/zinc/37/96/48/396379648.db2.gz QCXHUDIHCQSMOQ-ZDUSSCGKSA-N 0 0 323.422 0.438 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCN(C)C(=O)C1 ZINC000188190936 396379909 /nfs/dbraw/zinc/37/99/09/396379909.db2.gz MYJWXDCRXMUENG-LLVKDONJSA-N 0 0 321.425 0.842 10 0 DCAERN CN1CCCN(S(=O)(=O)c2cccc(F)c2F)CC1=O ZINC000188226020 396380083 /nfs/dbraw/zinc/38/00/83/396380083.db2.gz ZZOPIOAAZUOPBR-UHFFFAOYSA-N 0 0 304.318 0.818 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000291741980 396510102 /nfs/dbraw/zinc/51/01/02/396510102.db2.gz LTVWIOCSSUEWGV-ZJUUUORDSA-N 0 0 306.366 0.872 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000372357819 396510185 /nfs/dbraw/zinc/51/01/85/396510185.db2.gz PVHWFOLYWBZSAO-WDEREUQCSA-N 0 0 309.366 0.535 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCc2cc(C)ncn2)CC1 ZINC000291800722 396512944 /nfs/dbraw/zinc/51/29/44/396512944.db2.gz BDHULOUCMQNWSK-UHFFFAOYSA-N 0 0 308.407 0.709 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCC[C@H]1Cn1ccnc1 ZINC000290478912 396466644 /nfs/dbraw/zinc/46/66/44/396466644.db2.gz VGKDDIZQHSOMAM-BYNSBNAKSA-N 0 0 305.378 0.926 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCN2CCOC[C@H]2C1 ZINC000371834593 396478262 /nfs/dbraw/zinc/47/82/62/396478262.db2.gz LMHKJBSLMWPEQB-QGZVFWFLSA-N 0 0 317.433 0.970 10 0 DCAERN O=C([C@@H](O)CCc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000371870730 396479211 /nfs/dbraw/zinc/47/92/11/396479211.db2.gz SMBPDEPNFZSLJN-CVEARBPZSA-N 0 0 304.390 0.523 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc2c(c1)OCCO2 ZINC000372557605 396527275 /nfs/dbraw/zinc/52/72/75/396527275.db2.gz NVKLAOXRKWRGEM-IUODEOHRSA-N 0 0 307.346 0.956 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@@H](CC(N)=O)C2)CC1=O ZINC000372589063 396530136 /nfs/dbraw/zinc/53/01/36/396530136.db2.gz ZZLLGDTZTTVUKV-VOAKCMCISA-N 0 0 322.409 0.293 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000594868280 396532573 /nfs/dbraw/zinc/53/25/73/396532573.db2.gz AUTUQAUVSXCFIW-MNOVXSKESA-N 0 0 308.400 0.225 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000372658750 396535099 /nfs/dbraw/zinc/53/50/99/396535099.db2.gz BDENMVKMDNEIOF-OLZOCXBDSA-N 0 0 323.422 0.438 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1cnn(C)c1 ZINC000581222965 396535498 /nfs/dbraw/zinc/53/54/98/396535498.db2.gz DXSFOSVQTGXLOJ-GFCCVEGCSA-N 0 0 303.370 0.697 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000372673149 396536638 /nfs/dbraw/zinc/53/66/38/396536638.db2.gz LYBITIWCKMDFBJ-FRRDWIJNSA-N 0 0 314.407 0.314 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000372716623 396539944 /nfs/dbraw/zinc/53/99/44/396539944.db2.gz OMJRPILSMHZBIF-GHMZBOCLSA-N 0 0 319.427 0.277 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)NCCCN1C(=O)CNC1=O ZINC000594999041 396544760 /nfs/dbraw/zinc/54/47/60/396544760.db2.gz OTUHVQHYSIPSAU-UHFFFAOYSA-N 0 0 308.342 0.100 10 0 DCAERN COC[C@H]1NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000581863681 396587147 /nfs/dbraw/zinc/58/71/47/396587147.db2.gz VVWTXJVOEAVLBT-CYBMUJFWSA-N 0 0 305.334 0.594 10 0 DCAERN C[C@H](CN1C[C@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802664 396615418 /nfs/dbraw/zinc/61/54/18/396615418.db2.gz AKANGCALVYWLGG-HZSPNIEDSA-N 0 0 305.440 0.937 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374129293 396641416 /nfs/dbraw/zinc/64/14/16/396641416.db2.gz INEGVPOSTUPYGL-FMSGJZPZSA-N 0 0 303.362 0.974 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC000561460872 396641700 /nfs/dbraw/zinc/64/17/00/396641700.db2.gz JLFZVGBLZLXSIS-JTQLQIEISA-N 0 0 302.338 0.263 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)CCO1 ZINC000586595277 396661645 /nfs/dbraw/zinc/66/16/45/396661645.db2.gz OKLYHAZWAISMPG-GFCCVEGCSA-N 0 0 319.427 0.232 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1cccs1 ZINC000586605040 396661656 /nfs/dbraw/zinc/66/16/56/396661656.db2.gz KXZUYIMJSAOXTM-UHFFFAOYSA-N 0 0 317.436 0.973 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000562452441 396664981 /nfs/dbraw/zinc/66/49/81/396664981.db2.gz JBMXULAYKMLAKY-UHFFFAOYSA-N 0 0 317.345 0.849 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@H](O)C12CCCC2 ZINC000294328980 396667655 /nfs/dbraw/zinc/66/76/55/396667655.db2.gz WHCVAJURNMPNQN-JTQLQIEISA-N 0 0 316.365 0.315 10 0 DCAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCOC[C@H]1c1nc[nH]n1 ZINC000294385335 396671641 /nfs/dbraw/zinc/67/16/41/396671641.db2.gz JAYUTTHZPMGKJA-MNOVXSKESA-N 0 0 317.353 0.688 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000588232074 396682090 /nfs/dbraw/zinc/68/20/90/396682090.db2.gz UAEXMDRYZWNDJE-BZPMIXESSA-N 0 0 309.410 0.903 10 0 DCAERN O=C(CN1CCCCC1=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374793889 396688337 /nfs/dbraw/zinc/68/83/37/396688337.db2.gz MXWYEXKILSRBCL-BBRMVZONSA-N 0 0 324.421 0.683 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000374932272 396699424 /nfs/dbraw/zinc/69/94/24/396699424.db2.gz QBXSWEQMWQIYRQ-GFCCVEGCSA-N 0 0 311.407 0.070 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000374971530 396702329 /nfs/dbraw/zinc/70/23/29/396702329.db2.gz RQOWCXIAQOXFKJ-AWEZNQCLSA-N 0 0 304.346 0.630 10 0 DCAERN NC(=O)NCCCCC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375012205 396704415 /nfs/dbraw/zinc/70/44/15/396704415.db2.gz UMFUSZJEKFYXEM-UHFFFAOYSA-N 0 0 309.341 0.694 10 0 DCAERN CCC[C@]1(C)NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047762 396706220 /nfs/dbraw/zinc/70/62/20/396706220.db2.gz FHRPTOWWAODLPE-LRDDRELGSA-N 0 0 323.393 0.877 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccsc1)CC2 ZINC000589187096 396707298 /nfs/dbraw/zinc/70/72/98/396707298.db2.gz BVCJRBVGEOWIQL-LLVKDONJSA-N 0 0 319.390 0.509 10 0 DCAERN O=C([C@H]1CCCC12OCCO2)N1CC[NH+](C2CCOCC2)CC1 ZINC000375099232 396711056 /nfs/dbraw/zinc/71/10/56/396711056.db2.gz DNCDDXWDPBSXKT-OAHLLOKOSA-N 0 0 324.421 0.853 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000375287316 396724870 /nfs/dbraw/zinc/72/48/70/396724870.db2.gz NPDXSGSLIVBJKB-HNNXBMFYSA-N 0 0 318.373 0.559 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1O ZINC000617706641 396779814 /nfs/dbraw/zinc/77/98/14/396779814.db2.gz VJJSUSZKXALQAL-MRXNPFEDSA-N 0 0 323.345 0.493 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H]1[C@H]2COC[C@H]21 ZINC000375660475 396791277 /nfs/dbraw/zinc/79/12/77/396791277.db2.gz NSGFVZVGPMGPLA-PZWNZHSQSA-N 0 0 303.380 0.140 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@H](C(F)F)CC2)nn1 ZINC000634161638 396799062 /nfs/dbraw/zinc/79/90/62/396799062.db2.gz GKWHISRBPWGJTC-JTQLQIEISA-N 0 0 302.281 0.363 10 0 DCAERN O=C(CN1CC[C@@H](c2nc(C3CC3)no2)C1)N1CCNC1=O ZINC000375435185 396744052 /nfs/dbraw/zinc/74/40/52/396744052.db2.gz FSSLGGBFOGEUPJ-SNVBAGLBSA-N 0 0 305.338 0.288 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@]1(C)CO ZINC000305698634 396745678 /nfs/dbraw/zinc/74/56/78/396745678.db2.gz OYTZBLNRFGEMLL-DGCLKSJQSA-N 0 0 301.412 0.866 10 0 DCAERN CCn1cnnc1CCNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000600198856 396753936 /nfs/dbraw/zinc/75/39/36/396753936.db2.gz XTZNSYXCBRGLSA-LBPRGKRZSA-N 0 0 315.377 0.775 10 0 DCAERN O=c1ccc(I)cn1C[C@@H]1COCCO1 ZINC000596309917 396760909 /nfs/dbraw/zinc/76/09/09/396760909.db2.gz ZGQAZTHUNWYAHN-SECBINFHSA-N 0 0 321.114 0.868 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)NCC[C@H](O)C(F)F)CS2 ZINC000633995129 396766925 /nfs/dbraw/zinc/76/69/25/396766925.db2.gz QNIQPTFIEZRJKT-LWINAJNOSA-N 0 0 308.350 0.573 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NC[C@@]3(O)CCOC3)cc21 ZINC000564273369 396821323 /nfs/dbraw/zinc/82/13/23/396821323.db2.gz WRTXGBNUIVFHAW-INIZCTEOSA-N 0 0 317.345 0.811 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137877 396822853 /nfs/dbraw/zinc/82/28/53/396822853.db2.gz CWHHQLFGFXRLGE-UONOGXRCSA-N 0 0 321.352 0.922 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C)CC1 ZINC000590671624 396823678 /nfs/dbraw/zinc/82/36/78/396823678.db2.gz ZUEDADNHMMNKSQ-GXTWGEPZSA-N 0 0 309.410 0.762 10 0 DCAERN CN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1c1ncc[nH]1 ZINC000328620892 396824240 /nfs/dbraw/zinc/82/42/40/396824240.db2.gz HJAJJBKYDNKZHR-LBPRGKRZSA-N 0 0 307.379 0.482 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC000328625288 396825197 /nfs/dbraw/zinc/82/51/97/396825197.db2.gz KPURVRGIGXYIMG-UHFFFAOYSA-N 0 0 313.361 0.581 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)Cc1cc[nH]n1 ZINC000328634345 396826458 /nfs/dbraw/zinc/82/64/58/396826458.db2.gz MQAIYOLSWUZYQM-AAEUAGOBSA-N 0 0 318.356 0.818 10 0 DCAERN NC(=O)c1noc([C@@H]2CCCN2Cc2nnc(C3CC3)[nH]2)n1 ZINC000328637471 396829351 /nfs/dbraw/zinc/82/93/51/396829351.db2.gz OQFFQOHAZLSSHT-QMMMGPOBSA-N 0 0 303.326 0.501 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCC[C@H](c4nnc[nH]4)C3)C2=O)cn1 ZINC000328680909 396831027 /nfs/dbraw/zinc/83/10/27/396831027.db2.gz UWOHELIVQZYVFD-AAEUAGOBSA-N 0 0 315.381 0.523 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@@H]3CCCCO3)C1)C2 ZINC000328656160 396831473 /nfs/dbraw/zinc/83/14/73/396831473.db2.gz ZBGQAOVWTLGKER-ZDUSSCGKSA-N 0 0 305.382 0.182 10 0 DCAERN C[S@](=O)c1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000611195432 396832443 /nfs/dbraw/zinc/83/24/43/396832443.db2.gz CEFPKGNHTVTHDS-CWKPULSASA-N 0 0 310.379 0.699 10 0 DCAERN CCCNC(=O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000375878174 396836437 /nfs/dbraw/zinc/83/64/37/396836437.db2.gz YYJJKMMUEDVYBH-UHFFFAOYSA-N 0 0 300.366 0.682 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H](O)C(F)(F)C1)C1CCCC1 ZINC000617817411 396837736 /nfs/dbraw/zinc/83/77/36/396837736.db2.gz MMZBAKXXONZMHX-RYUDHWBXSA-N 0 0 304.337 0.910 10 0 DCAERN Cc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC000564588204 396846072 /nfs/dbraw/zinc/84/60/72/396846072.db2.gz GBSRZMUYXXFNEO-UONOGXRCSA-N 0 0 307.398 0.144 10 0 DCAERN Cc1nnc(CN2CCN([C@H](C)C(=O)OC(C)(C)C)CC2)[nH]1 ZINC000611431380 396866906 /nfs/dbraw/zinc/86/69/06/396866906.db2.gz XOOQVSKQTZIWFO-LLVKDONJSA-N 0 0 309.414 0.961 10 0 DCAERN Cc1nnc(CN2CCN([C@@H](C)C(=O)OC(C)(C)C)CC2)[nH]1 ZINC000611431381 396866993 /nfs/dbraw/zinc/86/69/93/396866993.db2.gz XOOQVSKQTZIWFO-NSHDSACASA-N 0 0 309.414 0.961 10 0 DCAERN O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)N1CCC1 ZINC000375713871 396803006 /nfs/dbraw/zinc/80/30/06/396803006.db2.gz HCVSTRVFZJYFAO-NWDGAFQWSA-N 0 0 304.412 0.094 10 0 DCAERN O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1ccnnc1 ZINC000376040788 396867489 /nfs/dbraw/zinc/86/74/89/396867489.db2.gz BZRTWNBXVHIAAD-LBPRGKRZSA-N 0 0 311.301 0.990 10 0 DCAERN CC(=O)c1cn(CC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)nn1 ZINC000634232182 396815935 /nfs/dbraw/zinc/81/59/35/396815935.db2.gz FUSANBXFACSCKX-DTWKUNHWSA-N 0 0 320.271 0.110 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1(C)C ZINC000332751350 396891880 /nfs/dbraw/zinc/89/18/80/396891880.db2.gz CEEXINUMSGAFOJ-RFQIPJPRSA-N 0 0 311.426 0.914 10 0 DCAERN Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCNC(=O)C1 ZINC000630076477 396933146 /nfs/dbraw/zinc/93/31/46/396933146.db2.gz JQBFVCCRODZIPN-UHFFFAOYSA-N 0 0 314.139 0.430 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000569983393 396933699 /nfs/dbraw/zinc/93/36/99/396933699.db2.gz SPDNTDZWRBYENX-LLVKDONJSA-N 0 0 304.412 0.532 10 0 DCAERN COC(=O)c1cccc(CNC(=O)NCc2cn(C)nn2)c1 ZINC000611941170 396953271 /nfs/dbraw/zinc/95/32/71/396953271.db2.gz CIDUHGHBXHGETF-UHFFFAOYSA-N 0 0 303.322 0.601 10 0 DCAERN C[C@H]1CN(CCNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCO1 ZINC000571464143 396954247 /nfs/dbraw/zinc/95/42/47/396954247.db2.gz JDWCUHWFZGFTQV-LBPRGKRZSA-N 0 0 322.409 0.658 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000376634209 396955941 /nfs/dbraw/zinc/95/59/41/396955941.db2.gz KCBABJAYMQVRDN-JTQLQIEISA-N 0 0 317.345 0.297 10 0 DCAERN Cn1cc([C@@H](O)CNC(=O)c2cc3c(cn2)OCCC3)cn1 ZINC000376875474 396990591 /nfs/dbraw/zinc/99/05/91/396990591.db2.gz JQURCXDILCEENO-ZDUSSCGKSA-N 0 0 302.334 0.604 10 0 DCAERN CSC1(C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000571971511 397005715 /nfs/dbraw/zinc/00/57/15/397005715.db2.gz DNBNPUDSBUMNRW-JTQLQIEISA-N 0 0 308.407 0.927 10 0 DCAERN CCOCn1nc(C)c(CC(=O)N[C@H]2CCC(=O)N[C@H]2C)c1C ZINC000630392559 397009395 /nfs/dbraw/zinc/00/93/95/397009395.db2.gz YDPYAVPBJJHPKK-FZMZJTMJSA-N 0 0 322.409 0.820 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C1CCOCC1 ZINC000618675626 397009566 /nfs/dbraw/zinc/00/95/66/397009566.db2.gz HQERDEJVFLCCFD-NEPJUHHUSA-N 0 0 318.439 0.541 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)o1 ZINC000618676064 397010330 /nfs/dbraw/zinc/01/03/30/397010330.db2.gz MMSJIYOIFDWWNO-MRVPVSSYSA-N 0 0 301.368 0.397 10 0 DCAERN COc1ccccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618682378 397012329 /nfs/dbraw/zinc/01/23/29/397012329.db2.gz QYZOMWUOUJRBIK-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN CS(=O)(=O)CCCN1C(=O)[C@@H]2[C@@H]3CCC[C@H]3CN2C1=O ZINC000349273200 397065961 /nfs/dbraw/zinc/06/59/61/397065961.db2.gz ZLEVAQPKDUVYAP-AXFHLTTASA-N 0 0 300.380 0.484 10 0 DCAERN COC1(C(=O)N2CCN(Cc3nc(C)no3)CC2)CCCC1 ZINC000572815590 397097283 /nfs/dbraw/zinc/09/72/83/397097283.db2.gz IOYZECRMDKCEPT-UHFFFAOYSA-N 0 0 308.382 0.981 10 0 DCAERN COC(=O)c1ccc(OC)cc1NC(=O)CN1CCOCC1=O ZINC000619219606 397098802 /nfs/dbraw/zinc/09/88/02/397098802.db2.gz UHTULGCJFJUACX-UHFFFAOYSA-N 0 0 322.317 0.279 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213868 397048819 /nfs/dbraw/zinc/04/88/19/397048819.db2.gz JPDNWFXANSGTTE-MCIONIFRSA-N 0 0 309.410 0.224 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1cccc2ncnn21)c1ccccn1 ZINC000612415880 397049115 /nfs/dbraw/zinc/04/91/15/397049115.db2.gz QTZNZLDQBZVOBY-ZDUSSCGKSA-N 0 0 311.301 0.768 10 0 DCAERN CC(C)N(CC(=O)[O-])C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630573411 397051062 /nfs/dbraw/zinc/05/10/62/397051062.db2.gz VYCSHLVVQALLHV-AWEZNQCLSA-N 0 0 307.394 0.767 10 0 DCAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000377908942 397162500 /nfs/dbraw/zinc/16/25/00/397162500.db2.gz IBZZNBUWMHZIIH-HLTSFMKQSA-N 0 0 309.288 0.626 10 0 DCAERN C[C@H]1CN(CCO)CCN1c1ncncc1Br ZINC000572931133 397112599 /nfs/dbraw/zinc/11/25/99/397112599.db2.gz RYKVPSNVJHGWKC-VIFPVBQESA-N 0 0 301.188 0.742 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)CC2 ZINC000612998899 397176853 /nfs/dbraw/zinc/17/68/53/397176853.db2.gz DLGXKQYQXOIGPL-HNNXBMFYSA-N 0 0 315.373 0.840 10 0 DCAERN Cc1nnc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2=O)o1 ZINC000598257150 397196183 /nfs/dbraw/zinc/19/61/83/397196183.db2.gz QGGPGKYFYFKQEU-LBPRGKRZSA-N 0 0 315.333 0.983 10 0 DCAERN Cc1ncccc1O[C@@H]1CCN(CC(=O)N2CCN(C)CC2)C1 ZINC000364502258 397212530 /nfs/dbraw/zinc/21/25/30/397212530.db2.gz CRBBQQYVPGDPKP-OAHLLOKOSA-N 0 0 318.421 0.617 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)C(C)C ZINC000619990410 397221165 /nfs/dbraw/zinc/22/11/65/397221165.db2.gz XIXCMRPVBKWOKV-QWHCGFSZSA-N 0 0 312.414 0.361 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1C[C@H](F)C[C@@H]1CO ZINC000364610435 397227357 /nfs/dbraw/zinc/22/73/57/397227357.db2.gz JTQZHRMKSYIUJG-VXNVDRBHSA-N 0 0 301.347 0.031 10 0 DCAERN Cc1ccc(F)c(OCC(=O)N[C@]2(C(N)=O)CCCOC2)c1 ZINC000378326048 397230060 /nfs/dbraw/zinc/23/00/60/397230060.db2.gz KAONBDCRCBUESF-OAHLLOKOSA-N 0 0 310.325 0.664 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000574102248 397235835 /nfs/dbraw/zinc/23/58/35/397235835.db2.gz HHJDNSOLLTVLGI-DOMZBBRYSA-N 0 0 307.398 0.163 10 0 DCAERN CCNC(=O)N1CC[C@H](N2C(=O)[C@@H]3CCCCCN3C2=O)C1 ZINC000365354319 397270013 /nfs/dbraw/zinc/27/00/13/397270013.db2.gz JRUZNDJAJGFGEB-RYUDHWBXSA-N 0 0 308.382 0.997 10 0 DCAERN COC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)NC1 ZINC000380892227 397271370 /nfs/dbraw/zinc/27/13/70/397271370.db2.gz ADGKBZVLRPNWLW-ZDUSSCGKSA-N 0 0 304.346 0.714 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000384802104 397281658 /nfs/dbraw/zinc/28/16/58/397281658.db2.gz YHTGIIPKQHKBHU-JGVFFNPUSA-N 0 0 320.392 0.464 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)O1 ZINC000385104945 397283954 /nfs/dbraw/zinc/28/39/54/397283954.db2.gz IGYSFFNTVSGIEO-WEDXCCLWSA-N 0 0 318.420 0.620 10 0 DCAERN CC(=O)c1cn(CC(=O)NCC2(CC(N)=O)CCCCC2)nn1 ZINC000620693726 397296591 /nfs/dbraw/zinc/29/65/91/397296591.db2.gz PYNKHUDKWCGOMN-UHFFFAOYSA-N 0 0 321.381 0.423 10 0 DCAERN CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000613718944 397307838 /nfs/dbraw/zinc/30/78/38/397307838.db2.gz IZDWKTGOWCLZFY-WDEREUQCSA-N 0 0 308.400 0.225 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)Cc2ccccc2F)CCN1 ZINC000396645343 397310460 /nfs/dbraw/zinc/31/04/60/397310460.db2.gz JIFLFGLBTXRHNO-LLVKDONJSA-N 0 0 300.355 0.914 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)C1 ZINC000396702501 397311900 /nfs/dbraw/zinc/31/19/00/397311900.db2.gz JCGVBOBUWHVTQX-TUAOUCFPSA-N 0 0 303.428 0.467 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)C[C@H]1C ZINC000407957256 397335821 /nfs/dbraw/zinc/33/58/21/397335821.db2.gz YMRCTSIJERYZOE-YYHMBLRTSA-N 0 0 311.382 0.494 10 0 DCAERN CSC1(CNC(=O)N2CC(=O)N(C)[C@H](C)C2)CCOCC1 ZINC000407955874 397335897 /nfs/dbraw/zinc/33/58/97/397335897.db2.gz SKMIYVXKVYMRID-LLVKDONJSA-N 0 0 315.439 0.771 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)c1 ZINC000407955826 397336180 /nfs/dbraw/zinc/33/61/80/397336180.db2.gz IAZLBXXZPRJVMV-QGZVFWFLSA-N 0 0 316.405 0.955 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC(=O)NCC3(C)C)cc12 ZINC000407959919 397336859 /nfs/dbraw/zinc/33/68/59/397336859.db2.gz XNAULMYUYHLRLC-UHFFFAOYSA-N 0 0 324.362 0.430 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000407961075 397337925 /nfs/dbraw/zinc/33/79/25/397337925.db2.gz AGANRIWLLCNYDB-XQQFMLRXSA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@@H](S(C)(=O)=O)C1)N1CCCCC1=O ZINC000407962751 397339098 /nfs/dbraw/zinc/33/90/98/397339098.db2.gz DPINHGOGAKUNNL-NWDGAFQWSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@H](C(=O)N1CCN[C@@H](c2ccncc2)C1)N1CCN(C)CC1 ZINC000407965574 397339726 /nfs/dbraw/zinc/33/97/26/397339726.db2.gz LTIACEWOMFRTJB-GDBMZVCRSA-N 0 0 317.437 0.190 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000366131464 397340487 /nfs/dbraw/zinc/34/04/87/397340487.db2.gz CXOMUSNSSRABGM-TUAOUCFPSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC(=O)N1C ZINC000407968511 397340749 /nfs/dbraw/zinc/34/07/49/397340749.db2.gz UDSAFIGHTXRVIR-JTQLQIEISA-N 0 0 316.361 0.900 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCN2CCCCC2=O)CC(=O)N1C ZINC000407970158 397341704 /nfs/dbraw/zinc/34/17/04/397341704.db2.gz KKZCWTLIWNNZCD-GFCCVEGCSA-N 0 0 310.398 0.261 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)CC(=O)N1C ZINC000407972301 397342672 /nfs/dbraw/zinc/34/26/72/397342672.db2.gz SPJJVEWFRYGIAZ-NSHDSACASA-N 0 0 313.357 0.841 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000407999860 397343713 /nfs/dbraw/zinc/34/37/13/397343713.db2.gz XLVPMSIEYOZOOU-VIFPVBQESA-N 0 0 318.424 0.251 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000613894151 397344160 /nfs/dbraw/zinc/34/41/60/397344160.db2.gz VKFNCCVQMUBSRD-KBUPBQIOSA-N 0 0 319.357 0.348 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCCC2(C)C)N(S(C)(=O)=O)C1 ZINC000366156411 397344356 /nfs/dbraw/zinc/34/43/56/397344356.db2.gz JXKYDPHPSQRNSR-TUAOUCFPSA-N 0 0 318.439 0.730 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 ZINC000408058582 397344942 /nfs/dbraw/zinc/34/49/42/397344942.db2.gz CEVWRUPFZIBRTD-LLVKDONJSA-N 0 0 305.382 0.901 10 0 DCAERN O=C(NC1CCS(=O)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000408087449 397346051 /nfs/dbraw/zinc/34/60/51/397346051.db2.gz DURZJCYTTPADBS-JRBJCYRMSA-N 0 0 312.435 0.805 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cccc2c1OCCC2=O ZINC000366174607 397346967 /nfs/dbraw/zinc/34/69/67/397346967.db2.gz ZFXJSMFVLKEFKG-UHFFFAOYSA-N 0 0 304.302 0.449 10 0 DCAERN C[C@H]([C@H](C)N(C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1)S(C)(=O)=O ZINC000408166680 397349531 /nfs/dbraw/zinc/34/95/31/397349531.db2.gz SSMDFZPYKFRVHX-YTWAJWBKSA-N 0 0 304.412 0.181 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCCC1 ZINC000408257405 397351265 /nfs/dbraw/zinc/35/12/65/397351265.db2.gz STBXPISZAPDWQT-WOPDTQHZSA-N 0 0 302.396 0.601 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000408394945 397355977 /nfs/dbraw/zinc/35/59/77/397355977.db2.gz LDHWLKDOTZDRHT-LLVKDONJSA-N 0 0 300.384 0.048 10 0 DCAERN CC1(C)C[C@H]1CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602305465 397367947 /nfs/dbraw/zinc/36/79/47/397367947.db2.gz MZMLSGSZIWZWSU-NSHDSACASA-N 0 0 303.428 0.757 10 0 DCAERN CCn1ncc(Cl)c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000621401585 397383529 /nfs/dbraw/zinc/38/35/29/397383529.db2.gz DEBNVNUULDAEJY-NSHDSACASA-N 0 0 305.787 0.863 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccoc2)C1 ZINC000460032049 397441519 /nfs/dbraw/zinc/44/15/19/397441519.db2.gz CLLZIGBDJQQJTC-CYBMUJFWSA-N 0 0 321.377 0.755 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)C1 ZINC000621578864 397400374 /nfs/dbraw/zinc/40/03/74/397400374.db2.gz LQBDRVMDALYENP-FBIMIBRVSA-N 0 0 323.315 0.968 10 0 DCAERN CCNS(=O)(=O)N[C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444274682 397415669 /nfs/dbraw/zinc/41/56/69/397415669.db2.gz DGBWDLLDQMZQSQ-BXKDBHETSA-N 0 0 308.400 0.177 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)[nH]n1 ZINC000487535855 397474577 /nfs/dbraw/zinc/47/45/77/397474577.db2.gz JMBMFDPOCLYAMC-KOLCDFICSA-N 0 0 316.427 0.724 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000578901839 397501069 /nfs/dbraw/zinc/50/10/69/397501069.db2.gz XQZSMHGTDFHRHG-NEPJUHHUSA-N 0 0 303.366 0.488 10 0 DCAERN Cn1cnc(CCNC(=O)NC[C@@](C)(O)C2CCCCC2)n1 ZINC000578937411 397502730 /nfs/dbraw/zinc/50/27/30/397502730.db2.gz CCTKKSRHGZTMCN-OAHLLOKOSA-N 0 0 309.414 0.988 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(CO)OC ZINC000594484325 397560755 /nfs/dbraw/zinc/56/07/55/397560755.db2.gz IOGXBNNKRXVMJI-NSHDSACASA-N 0 0 323.392 0.210 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC000370959082 397528216 /nfs/dbraw/zinc/52/82/16/397528216.db2.gz JUMWVPVFHGWJCP-WPRPVWTQSA-N 0 0 315.399 0.104 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000608220033 397721189 /nfs/dbraw/zinc/72/11/89/397721189.db2.gz UFZQKXQFANOJPD-IWSPIJDZSA-N 0 0 307.375 0.586 10 0 DCAERN Cc1nnc(CN2CCN(Cc3ccc(C(N)=O)cc3)CC2)[nH]1 ZINC000605422064 397664275 /nfs/dbraw/zinc/66/42/75/397664275.db2.gz IDYIWUQUFKVFHD-UHFFFAOYSA-N 0 0 314.393 0.530 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000609889750 397796486 /nfs/dbraw/zinc/79/64/86/397796486.db2.gz JYBDNWYXBFZROQ-RYUDHWBXSA-N 0 0 317.407 0.754 10 0 DCAERN CSCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000609920021 397797559 /nfs/dbraw/zinc/79/75/59/397797559.db2.gz SZUPIVOLTZFECQ-UHFFFAOYSA-N 0 0 309.457 0.464 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)[C@H]1CCCOC1 ZINC000330350569 296616131 /nfs/dbraw/zinc/61/61/31/296616131.db2.gz LGENUOWQWSIHGW-MNOVXSKESA-N 0 0 311.425 0.004 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408449981 298012792 /nfs/dbraw/zinc/01/27/92/298012792.db2.gz CONXRNQFAPKVRB-OLZOCXBDSA-N 0 0 302.440 0.754 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1coc(Br)c1 ZINC000029959365 157984297 /nfs/dbraw/zinc/98/42/97/157984297.db2.gz YXDUPIXXQXFEST-SSDOTTSWSA-N 0 0 308.153 0.959 10 0 DCAERN CNC(=O)CN(CC(=O)c1ccc[nH]1)CC(=O)c1ccc[nH]1 ZINC000047550697 158003283 /nfs/dbraw/zinc/00/32/83/158003283.db2.gz AKEYELQJHLMPSL-UHFFFAOYSA-N 0 0 302.334 0.456 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051991953 158014311 /nfs/dbraw/zinc/01/43/11/158014311.db2.gz FJGROGXYAHTTDV-UPJWGTAASA-N 0 0 318.439 0.610 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000051884926 158015072 /nfs/dbraw/zinc/01/50/72/158015072.db2.gz ULQWAKYFGHXTSH-RYUDHWBXSA-N 0 0 304.412 0.031 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000052527725 158016448 /nfs/dbraw/zinc/01/64/48/158016448.db2.gz WNNZHHNQZJJGTO-LLVKDONJSA-N 0 0 301.350 0.888 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O ZINC000053409731 158018775 /nfs/dbraw/zinc/01/87/75/158018775.db2.gz UHNBTEPMFFMGTG-CBAPKCEASA-N 0 0 311.288 0.308 10 0 DCAERN CCCC(=O)NCC(=O)NCCc1nnc2n1CCCCC2 ZINC000054151078 158020300 /nfs/dbraw/zinc/02/03/00/158020300.db2.gz OHUQJGQIADBHFG-UHFFFAOYSA-N 0 0 307.398 0.580 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CCNC(=O)C1 ZINC000055140215 158021507 /nfs/dbraw/zinc/02/15/07/158021507.db2.gz YLVOQDXNWJVPQG-GFCCVEGCSA-N 0 0 321.402 0.240 10 0 DCAERN O=C(CN1CCN(C(=O)NC2CCCCC2)CC1)NC1CC1 ZINC000061038121 158027827 /nfs/dbraw/zinc/02/78/27/158027827.db2.gz DXWYLEHZKDKRTA-UHFFFAOYSA-N 0 0 308.426 0.925 10 0 DCAERN Cc1cccc(C)c1OCCNC(=O)CN1CCNC(=O)CC1 ZINC000065954874 158034562 /nfs/dbraw/zinc/03/45/62/158034562.db2.gz DVWUEKPCGSPJHH-UHFFFAOYSA-N 0 0 319.405 0.620 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000066371768 158036647 /nfs/dbraw/zinc/03/66/47/158036647.db2.gz NVSGDUQUWXUUHI-UHFFFAOYSA-N 0 0 307.379 0.704 10 0 DCAERN COC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000069097794 158044624 /nfs/dbraw/zinc/04/46/24/158044624.db2.gz VJIXYEADYDSHEQ-NXEZZACHSA-N 0 0 318.370 0.644 10 0 DCAERN CCCNC(=O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000072702124 158052164 /nfs/dbraw/zinc/05/21/64/158052164.db2.gz KOZWMDIGFAWFNA-AWEZNQCLSA-N 0 0 324.469 0.578 10 0 DCAERN COCCN(CC(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000073286804 158056233 /nfs/dbraw/zinc/05/62/33/158056233.db2.gz PTMIZLWUORBRDW-CHWSQXEVSA-N 0 0 308.444 0.945 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000076322992 158064896 /nfs/dbraw/zinc/06/48/96/158064896.db2.gz ONMOEVNUMRDEMB-HNNXBMFYSA-N 0 0 318.421 0.841 10 0 DCAERN CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077679267 158069344 /nfs/dbraw/zinc/06/93/44/158069344.db2.gz UKQOSDQQNSOBDI-JTQLQIEISA-N 0 0 304.306 0.562 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000078334076 158073192 /nfs/dbraw/zinc/07/31/92/158073192.db2.gz VVIMVBZBKKNTRL-AWEZNQCLSA-N 0 0 324.469 0.530 10 0 DCAERN CCNC(=O)CN(CC)C(=O)c1ccc(-n2cncn2)cc1 ZINC000078932466 158076330 /nfs/dbraw/zinc/07/63/30/158076330.db2.gz QNAWRUMBMYFNIS-UHFFFAOYSA-N 0 0 301.350 0.866 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000079717835 158078975 /nfs/dbraw/zinc/07/89/75/158078975.db2.gz PNXRECCHCBCOMX-UHFFFAOYSA-N 0 0 305.313 0.217 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)c1 ZINC000080738076 158083050 /nfs/dbraw/zinc/08/30/50/158083050.db2.gz YIXSLLKZQHXYBY-JTQLQIEISA-N 0 0 301.368 0.477 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)n1 ZINC000081410781 158084768 /nfs/dbraw/zinc/08/47/68/158084768.db2.gz HQPWVZPYEXVEAO-HNNXBMFYSA-N 0 0 318.421 0.806 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCN1CCOCC1 ZINC000083691651 158087690 /nfs/dbraw/zinc/08/76/90/158087690.db2.gz NRYPBZDOYHRXJM-CYBMUJFWSA-N 0 0 322.413 0.443 10 0 DCAERN Cc1cc(CC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)no1 ZINC000084216063 158088054 /nfs/dbraw/zinc/08/80/54/158088054.db2.gz FXGYEPWKAGNDHP-CQSZACIVSA-N 0 0 309.366 0.525 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084880220 158088235 /nfs/dbraw/zinc/08/82/35/158088235.db2.gz ZJLPTNCMSAYQKG-JOYOIKCWSA-N 0 0 301.412 0.651 10 0 DCAERN O=C(c1ncccc1OCC(F)(F)F)N1CCNC(=O)CC1 ZINC000084187546 158089122 /nfs/dbraw/zinc/08/91/22/158089122.db2.gz NLTYFCAPYPDLIQ-UHFFFAOYSA-N 0 0 317.267 0.985 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CSCN1C(C)=O ZINC000088197158 158093121 /nfs/dbraw/zinc/09/31/21/158093121.db2.gz CONHFSKQFJOZER-GHMZBOCLSA-N 0 0 323.422 0.713 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCOc2ccccc21 ZINC000088768018 158094579 /nfs/dbraw/zinc/09/45/79/158094579.db2.gz APZWNHYNIHWVLR-UHFFFAOYSA-N 0 0 314.363 0.625 10 0 DCAERN Cc1cc(OCC(=O)N[C@@H]2CCC(=O)NC2=O)ccc1Cl ZINC000089755668 158098745 /nfs/dbraw/zinc/09/87/45/158098745.db2.gz ZMKYTXLTJDESEW-LLVKDONJSA-N 0 0 310.737 0.949 10 0 DCAERN C[C@](O)(CO)CNC(=O)Cc1cccc(Br)c1 ZINC000090287259 158103520 /nfs/dbraw/zinc/10/35/20/158103520.db2.gz MEDGCZCTOIFCTG-GFCCVEGCSA-N 0 0 302.168 0.851 10 0 DCAERN COc1ccc(C(=O)NC[C@@](C)(O)CO)cc1Br ZINC000090285809 158103846 /nfs/dbraw/zinc/10/38/46/158103846.db2.gz MTXJPUAJYNTBTF-GFCCVEGCSA-N 0 0 318.167 0.931 10 0 DCAERN CCNC(=O)CN(CC)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091026599 158106312 /nfs/dbraw/zinc/10/63/12/158106312.db2.gz FSYWOTBFWDMOTF-UHFFFAOYSA-N 0 0 316.361 0.601 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)N1CCc2ccccc2C1 ZINC000091810003 158110733 /nfs/dbraw/zinc/11/07/33/158110733.db2.gz IWNHOIITBCXPQO-DOMZBBRYSA-N 0 0 317.389 0.146 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(F)cc1F ZINC000091785695 158110795 /nfs/dbraw/zinc/11/07/95/158110795.db2.gz SOCJKNFRJQYQOU-JTQLQIEISA-N 0 0 300.261 0.056 10 0 DCAERN Cn1cnc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000092379157 158113545 /nfs/dbraw/zinc/11/35/45/158113545.db2.gz XHSRQVXKFYFUCF-CYBMUJFWSA-N 0 0 322.413 0.211 10 0 DCAERN CC1CCC(N(C(=O)CN2CCOC[C@H]2C(N)=O)C2CC2)CC1 ZINC000092421563 158114188 /nfs/dbraw/zinc/11/41/88/158114188.db2.gz KSWPEJTXDUQYIO-PIMMBPRGSA-N 0 0 323.437 0.742 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCN(CC3CC3)CC2)C1 ZINC000097000811 158124077 /nfs/dbraw/zinc/12/40/77/158124077.db2.gz WYAPAKIAJJELNJ-CYBMUJFWSA-N 0 0 301.456 0.991 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094892860 158124677 /nfs/dbraw/zinc/12/46/77/158124677.db2.gz DGSMYHHUHFCDEV-ONGXEEELSA-N 0 0 313.379 0.483 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)[nH]n1 ZINC000097218692 158125534 /nfs/dbraw/zinc/12/55/34/158125534.db2.gz UHSVWYAGUZFABG-GFCCVEGCSA-N 0 0 320.393 0.683 10 0 DCAERN CCCS(=O)(=O)CCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000097153446 158125728 /nfs/dbraw/zinc/12/57/28/158125728.db2.gz ZRTFQFBGPIQPNI-CQSZACIVSA-N 0 0 318.483 0.996 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000101576791 158126540 /nfs/dbraw/zinc/12/65/40/158126540.db2.gz FTCBJFQBQZMPQM-NSHDSACASA-N 0 0 314.411 0.345 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000109137317 158137095 /nfs/dbraw/zinc/13/70/95/158137095.db2.gz ZEQROSUKHNKGAA-CQSZACIVSA-N 0 0 305.378 0.728 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1CCCCCC1 ZINC000110703698 158137992 /nfs/dbraw/zinc/13/79/92/158137992.db2.gz NALJNGQOTVLNMB-CYBMUJFWSA-N 0 0 309.410 0.810 10 0 DCAERN C[C@H]1CCC[C@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000110684446 158138882 /nfs/dbraw/zinc/13/88/82/158138882.db2.gz IPYMHIITZDPVRJ-RYUDHWBXSA-N 0 0 303.428 0.551 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)c1n[nH]c2c1CCCC2 ZINC000111144775 158140001 /nfs/dbraw/zinc/14/00/01/158140001.db2.gz WODBMVFTSAQGGE-CABZTGNLSA-N 0 0 307.350 0.691 10 0 DCAERN Cc1nn(CC(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1Cl ZINC000112647016 158141668 /nfs/dbraw/zinc/14/16/68/158141668.db2.gz WMWFBBOENDCZPG-SNVBAGLBSA-N 0 0 308.773 0.876 10 0 DCAERN COc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000112741659 158143555 /nfs/dbraw/zinc/14/35/55/158143555.db2.gz NPNGXURHWSCJNB-NSHDSACASA-N 0 0 302.338 0.496 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114869993 158159014 /nfs/dbraw/zinc/15/90/14/158159014.db2.gz VAFPJLGGBDWVOC-JTQLQIEISA-N 0 0 309.370 0.408 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(C(N)=O)c1)CC2 ZINC000114869913 158159296 /nfs/dbraw/zinc/15/92/96/158159296.db2.gz WVUOPXCBAZHNJL-GFCCVEGCSA-N 0 0 313.361 0.684 10 0 DCAERN CN(C)[C@H](CNC(=O)CNC(N)=O)c1c(F)cccc1F ZINC000115715973 158163130 /nfs/dbraw/zinc/16/31/30/158163130.db2.gz BJGPNTURFDDEJS-SNVBAGLBSA-N 0 0 300.309 0.352 10 0 DCAERN CC(C)N(C(=O)CN1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890708 158168117 /nfs/dbraw/zinc/16/81/17/158168117.db2.gz MFCCPNGZFVIOGC-LBPRGKRZSA-N 0 0 305.444 0.255 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCC2CCCCC2)C1 ZINC000116892419 158168762 /nfs/dbraw/zinc/16/87/62/158168762.db2.gz ZAEBXRMPJRHTOP-CYBMUJFWSA-N 0 0 317.455 0.306 10 0 DCAERN COCCN1CCN(C(=O)CS(=O)(=O)CC(C)C)C[C@@H]1C ZINC000117284435 158169670 /nfs/dbraw/zinc/16/96/70/158169670.db2.gz ZDBZXZCIXSGKGI-ZDUSSCGKSA-N 0 0 320.455 0.236 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc3nncn3c2)C[C@H]1C ZINC000117282518 158170662 /nfs/dbraw/zinc/17/06/62/158170662.db2.gz KPDRQGKSHHZIDJ-CYBMUJFWSA-N 0 0 317.393 0.912 10 0 DCAERN COCCN1CCN(C(=O)NCCc2nc(C)no2)C[C@H]1C ZINC000117489216 158171604 /nfs/dbraw/zinc/17/16/04/158171604.db2.gz AOIACZZRDZVFDB-LLVKDONJSA-N 0 0 311.386 0.283 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)n1 ZINC000117693018 158173146 /nfs/dbraw/zinc/17/31/46/158173146.db2.gz SBQRRKVVWVSYAG-CQSZACIVSA-N 0 0 313.361 0.967 10 0 DCAERN Cc1ccn2ncc(C(=O)Nc3ccn(CCC(N)=O)n3)c2n1 ZINC000117701844 158173367 /nfs/dbraw/zinc/17/33/67/158173367.db2.gz SKBSTOITJKLCJV-UHFFFAOYSA-N 0 0 313.321 0.362 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000117805755 158173378 /nfs/dbraw/zinc/17/33/78/158173378.db2.gz KVTLHKIANUVEQQ-BONVTDFDSA-N 0 0 302.330 0.816 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000117773815 158173692 /nfs/dbraw/zinc/17/36/92/158173692.db2.gz MUAZQPAOEXAANG-FZMZJTMJSA-N 0 0 324.402 0.703 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1ccccc1F ZINC000118758336 158179617 /nfs/dbraw/zinc/17/96/17/158179617.db2.gz VEMZFVMVDMWAHJ-UHFFFAOYSA-N 0 0 307.325 0.815 10 0 DCAERN CC[C@@H](COC)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000118956860 158181392 /nfs/dbraw/zinc/18/13/92/158181392.db2.gz FDIKRWGMSQNFIL-WDEREUQCSA-N 0 0 311.386 0.984 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000119562520 158188672 /nfs/dbraw/zinc/18/86/72/158188672.db2.gz SQBNCUCQKWCIKK-ZBFHGGJFSA-N 0 0 320.389 0.662 10 0 DCAERN C[C@@H](CN1CCN(c2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119545660 158189533 /nfs/dbraw/zinc/18/95/33/158189533.db2.gz LJXDVQPAFIXFDG-LBPRGKRZSA-N 0 0 300.428 0.223 10 0 DCAERN NC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000119882139 158190676 /nfs/dbraw/zinc/19/06/76/158190676.db2.gz PLVDAXRNULVRQF-UONOGXRCSA-N 0 0 321.421 0.892 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC2(O)CCCC2)C[C@H](C)O1 ZINC000119909685 158190924 /nfs/dbraw/zinc/19/09/24/158190924.db2.gz AGEHEIWQSDVSHU-RYUDHWBXSA-N 0 0 306.428 0.577 10 0 DCAERN CC(C)OCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119792145 158191357 /nfs/dbraw/zinc/19/13/57/158191357.db2.gz YAZIVWHGCNBUNO-ZDUSSCGKSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCCN2CCCC2=O)C1 ZINC000119883124 158191402 /nfs/dbraw/zinc/19/14/02/158191402.db2.gz ZWHDPULMFHJUTE-CHWSQXEVSA-N 0 0 317.455 0.811 10 0 DCAERN O=S(=O)(NC1CC1)[C@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000120392002 158198409 /nfs/dbraw/zinc/19/84/09/158198409.db2.gz WPWUSHOVHABEPT-NSHDSACASA-N 0 0 312.395 0.603 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000120546539 158201151 /nfs/dbraw/zinc/20/11/51/158201151.db2.gz GPHQBOQQDVDKDJ-CYBMUJFWSA-N 0 0 316.427 0.479 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](CO)C1)CC2 ZINC000120676779 158201788 /nfs/dbraw/zinc/20/17/88/158201788.db2.gz AEKHSSWDAIDWEC-RYUDHWBXSA-N 0 0 307.398 0.740 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000121613730 158212541 /nfs/dbraw/zinc/21/25/41/158212541.db2.gz BIWJZOQGWGSWLV-AWEZNQCLSA-N 0 0 309.410 0.762 10 0 DCAERN CC[NH+]1CCN(c2ccccc2NC(=O)CC(=O)NC)CC1 ZINC000121984069 158217714 /nfs/dbraw/zinc/21/77/14/158217714.db2.gz XBBDDJPKWCWMRL-UHFFFAOYSA-N 0 0 304.394 0.903 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122393053 158220406 /nfs/dbraw/zinc/22/04/06/158220406.db2.gz LCLCQWLYBWHHPD-ZETCQYMHSA-N 0 0 306.771 0.824 10 0 DCAERN CNc1ncc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000122365230 158220825 /nfs/dbraw/zinc/22/08/25/158220825.db2.gz ZJDRUUKQKXKYNJ-MRVPVSSYSA-N 0 0 308.367 0.825 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCS2)C1 ZINC000122635306 158222649 /nfs/dbraw/zinc/22/26/49/158222649.db2.gz OOLOSECRSVCOAD-GHMZBOCLSA-N 0 0 306.453 0.811 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000123485388 158230669 /nfs/dbraw/zinc/23/06/69/158230669.db2.gz DLYLODYCEMXGCI-WCBMZHEXSA-N 0 0 310.379 0.597 10 0 DCAERN Cc1nc(C(=O)NCc2cccc(N(C)C)n2)c(=O)[nH]c1C ZINC000124427889 158242020 /nfs/dbraw/zinc/24/20/20/158242020.db2.gz JZELGACXLFUWNR-UHFFFAOYSA-N 0 0 301.350 0.778 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N1CC[C@H](N2CC=CC2)C1 ZINC000124571248 158244052 /nfs/dbraw/zinc/24/40/52/158244052.db2.gz TZZNTWGWEMUNGU-QWHCGFSZSA-N 0 0 313.423 0.219 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCN(C2CC2)CC1 ZINC000124710443 158246288 /nfs/dbraw/zinc/24/62/88/158246288.db2.gz CQBWGTFNWPAVRD-UHFFFAOYSA-N 0 0 302.440 0.754 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000125395763 158255306 /nfs/dbraw/zinc/25/53/06/158255306.db2.gz UTKZVRZPYDXDDB-CMPLNLGQSA-N 0 0 321.352 0.668 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCNC(=O)CC2)c1C ZINC000125640620 158258024 /nfs/dbraw/zinc/25/80/24/158258024.db2.gz AZGSKGWJAYORDM-LLVKDONJSA-N 0 0 321.377 0.811 10 0 DCAERN CC(C)Oc1ncccc1NC(=O)C(=O)NCc1ccnn1C ZINC000125675986 158258391 /nfs/dbraw/zinc/25/83/91/158258391.db2.gz XWERXBBWDCSFEJ-UHFFFAOYSA-N 0 0 317.349 0.857 10 0 DCAERN COC(=O)c1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)o1 ZINC000126068823 158262155 /nfs/dbraw/zinc/26/21/55/158262155.db2.gz WQJMKSHOROGIGD-NSHDSACASA-N 0 0 308.334 0.659 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(OCCCOC)CC1 ZINC000126279401 158263143 /nfs/dbraw/zinc/26/31/43/158263143.db2.gz BBXDYQMENGEEPR-UHFFFAOYSA-N 0 0 300.399 0.947 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCO[C@H]1CCOC1 ZINC000127350849 158272607 /nfs/dbraw/zinc/27/26/07/158272607.db2.gz DCTMJJRQOVITHP-QWHCGFSZSA-N 0 0 323.397 0.916 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1cn(-c2ccccc2)nn1 ZINC000128817976 158284155 /nfs/dbraw/zinc/28/41/55/158284155.db2.gz FXVJHZCKIXRXPG-SNVBAGLBSA-N 0 0 310.317 0.842 10 0 DCAERN O=C(CCNC(=O)c1ccc2c(c1)CCN2)N1CCOCC1 ZINC000128916263 158284643 /nfs/dbraw/zinc/28/46/43/158284643.db2.gz CNZYNIBJXVHOER-UHFFFAOYSA-N 0 0 303.362 0.633 10 0 DCAERN COC(=O)CNC(=O)CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128985297 158284811 /nfs/dbraw/zinc/28/48/11/158284811.db2.gz GQIWVHUNNIIWSI-CQSZACIVSA-N 0 0 324.352 0.797 10 0 DCAERN COc1cccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000129039172 158285305 /nfs/dbraw/zinc/28/53/05/158285305.db2.gz YOWWWBBAPLOEJN-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN CC(C)(C)c1nnc(Sc2nn3c(nccc3=O)s2)n1N ZINC000130652432 158295664 /nfs/dbraw/zinc/29/56/64/158295664.db2.gz XEEIMFIZCSWBAU-UHFFFAOYSA-N 0 0 323.407 0.905 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000130959197 158298688 /nfs/dbraw/zinc/29/86/88/158298688.db2.gz QCADZBMICDJHES-LBPRGKRZSA-N 0 0 321.352 0.916 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131940132 158306656 /nfs/dbraw/zinc/30/66/56/158306656.db2.gz WZDUZZBHGNTUHO-SECBINFHSA-N 0 0 300.384 0.053 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCOCCO)[C@@H]1c1ccc(F)cc1 ZINC000132253741 158309165 /nfs/dbraw/zinc/30/91/65/158309165.db2.gz XLGPUODBYCRPQE-HIFRSBDPSA-N 0 0 324.352 0.470 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000132347568 158310378 /nfs/dbraw/zinc/31/03/78/158310378.db2.gz ONXMWGJYVPEADP-LBPRGKRZSA-N 0 0 303.362 0.462 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1=NNC(=O)CC1)CC2 ZINC000133492404 158319533 /nfs/dbraw/zinc/31/95/33/158319533.db2.gz HWZUMLNTRVMRTH-VIFPVBQESA-N 0 0 304.354 0.099 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)C2 ZINC000133914100 158322920 /nfs/dbraw/zinc/32/29/20/158322920.db2.gz WLCGJCHYSHQBPS-CHWSQXEVSA-N 0 0 318.373 0.983 10 0 DCAERN CCCCNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756169 158331140 /nfs/dbraw/zinc/33/11/40/158331140.db2.gz UYPBQPYBXYPMEY-LBPRGKRZSA-N 0 0 303.428 0.996 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000134819527 158331418 /nfs/dbraw/zinc/33/14/18/158331418.db2.gz XGQJTZZMWMJLTA-SMDDNHRTSA-N 0 0 324.425 0.761 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC[C@@H](C)[S@](C)=O)C1CCCC1 ZINC000134861886 158332448 /nfs/dbraw/zinc/33/24/48/158332448.db2.gz MVFHQAKHLXJSSW-LITPITGPSA-N 0 0 302.440 0.955 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000135344593 158335482 /nfs/dbraw/zinc/33/54/82/158335482.db2.gz DKHPQIKJGKCKDZ-WDEREUQCSA-N 0 0 305.382 0.660 10 0 DCAERN CC(=O)CCN(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000135588267 158338562 /nfs/dbraw/zinc/33/85/62/158338562.db2.gz JDVWIQPKZDISGF-LBPRGKRZSA-N 0 0 316.361 0.762 10 0 DCAERN COC(=O)CCCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705761 158339835 /nfs/dbraw/zinc/33/98/35/158339835.db2.gz CLBSPGIIBVOHQG-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)CNC(=O)c2ccccc2C)C1 ZINC000136338094 158342832 /nfs/dbraw/zinc/34/28/32/158342832.db2.gz SCLNDLZRXKTGMY-ZDUSSCGKSA-N 0 0 317.389 0.852 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000138630107 158347683 /nfs/dbraw/zinc/34/76/83/158347683.db2.gz RGGJRXQDXLLJKP-GFCCVEGCSA-N 0 0 317.389 0.916 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000153727888 158349445 /nfs/dbraw/zinc/34/94/45/158349445.db2.gz KXQVJOVXVAKFLA-UHTWSYAYSA-N 0 0 303.362 0.811 10 0 DCAERN O=C(C1=COCCO1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164621745 158364020 /nfs/dbraw/zinc/36/40/20/158364020.db2.gz YVXWDKVKIMJETM-YPMHNXCESA-N 0 0 306.362 0.877 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1N(C)C ZINC000166734605 158366981 /nfs/dbraw/zinc/36/69/81/158366981.db2.gz MSADNOKJJAZTKB-CYBMUJFWSA-N 0 0 318.377 0.428 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000167083902 158367289 /nfs/dbraw/zinc/36/72/89/158367289.db2.gz YFSFBIFRZOKKIF-SNVBAGLBSA-N 0 0 314.407 0.826 10 0 DCAERN CC(C)(CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170578990 158374472 /nfs/dbraw/zinc/37/44/72/158374472.db2.gz UVVOSLHEXYRABH-JTQLQIEISA-N 0 0 320.345 0.655 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000170631783 158374529 /nfs/dbraw/zinc/37/45/29/158374529.db2.gz VAWOOJPTVYSMGK-GFCCVEGCSA-N 0 0 320.397 0.352 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC000170714689 158375885 /nfs/dbraw/zinc/37/58/85/158375885.db2.gz HNZSYUQVOCQZGH-SECBINFHSA-N 0 0 319.317 0.850 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000171262082 158380357 /nfs/dbraw/zinc/38/03/57/158380357.db2.gz BNGKFIHXJMWCQZ-NSHDSACASA-N 0 0 317.345 0.327 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCC(=O)N2CCCC2)cn1 ZINC000171453469 158382924 /nfs/dbraw/zinc/38/29/24/158382924.db2.gz RBQGVJXZZWCKJN-CYBMUJFWSA-N 0 0 305.382 0.889 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCCN(Cc2noc(C)n2)CC1 ZINC000171592623 158384390 /nfs/dbraw/zinc/38/43/90/158384390.db2.gz KUFIDZXNKGXOFJ-LBPRGKRZSA-N 0 0 309.414 0.800 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)N(CC)CC ZINC000171767815 158386862 /nfs/dbraw/zinc/38/68/62/158386862.db2.gz YCZPMVLREDHXOK-GFCCVEGCSA-N 0 0 305.444 0.906 10 0 DCAERN CNC(=O)CCN(C)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000171901530 158387713 /nfs/dbraw/zinc/38/77/13/158387713.db2.gz LHKRIRSYQZAIRS-UHFFFAOYSA-N 0 0 319.409 0.828 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000172278165 158392786 /nfs/dbraw/zinc/39/27/86/158392786.db2.gz NJFZWCHVDKSVRR-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N1CCC(c2ccnn2CCO)CC1 ZINC000172584760 158396354 /nfs/dbraw/zinc/39/63/54/158396354.db2.gz GJDJQJMCLSJUAX-CQSZACIVSA-N 0 0 322.409 0.943 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000172603733 158396717 /nfs/dbraw/zinc/39/67/17/158396717.db2.gz XFJNSTXBGSGWIH-NWDGAFQWSA-N 0 0 315.381 0.905 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)[nH]1 ZINC000173740065 158410002 /nfs/dbraw/zinc/41/00/02/158410002.db2.gz IHJGSAYIHFAABR-NSHDSACASA-N 0 0 323.378 0.524 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)CCO)CC2 ZINC000174959360 158423011 /nfs/dbraw/zinc/42/30/11/158423011.db2.gz DDSGWQUWBXZRMZ-LLVKDONJSA-N 0 0 309.414 0.863 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178727524 158463165 /nfs/dbraw/zinc/46/31/65/158463165.db2.gz YDULIXKIDJRVKU-CHWSQXEVSA-N 0 0 305.378 0.716 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1ccn(C)n1)CC2 ZINC000183714211 158501265 /nfs/dbraw/zinc/50/12/65/158501265.db2.gz GQHDVXJIRHHBAG-LBPRGKRZSA-N 0 0 302.382 0.809 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184069142 158504951 /nfs/dbraw/zinc/50/49/51/158504951.db2.gz FFJCLFNKJWMELM-NSHDSACASA-N 0 0 321.402 0.792 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184086127 158505679 /nfs/dbraw/zinc/50/56/79/158505679.db2.gz HBCCXYHSEMASPV-UHFFFAOYSA-N 0 0 321.402 0.936 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000185706203 158523165 /nfs/dbraw/zinc/52/31/65/158523165.db2.gz QWCOLUVSVYJKID-CYBMUJFWSA-N 0 0 316.427 0.747 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187325049 158536707 /nfs/dbraw/zinc/53/67/07/158536707.db2.gz OBYFZBWEOGVVBR-IUODEOHRSA-N 0 0 300.399 0.984 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000187746109 158540578 /nfs/dbraw/zinc/54/05/78/158540578.db2.gz GCLKNMGSDPAPJK-LLVKDONJSA-N 0 0 309.753 0.698 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3CCCNC(=O)[C@H]3C)c2=O)s1 ZINC000188914875 158548318 /nfs/dbraw/zinc/54/83/18/158548318.db2.gz LZQMRCBSHSWOGS-SECBINFHSA-N 0 0 320.374 0.415 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)n[nH]1 ZINC000189719844 158554510 /nfs/dbraw/zinc/55/45/10/158554510.db2.gz JOOOGSISRNVQKH-UHFFFAOYSA-N 0 0 314.349 0.174 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000190713660 158562653 /nfs/dbraw/zinc/56/26/53/158562653.db2.gz VHEOKUOICJPWHZ-STQMWFEESA-N 0 0 314.430 0.262 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)n1 ZINC000193401271 158583600 /nfs/dbraw/zinc/58/36/00/158583600.db2.gz RAXPMBBSVRRQHT-VIFPVBQESA-N 0 0 312.395 0.831 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nncn2C)CC1 ZINC000195472646 158612277 /nfs/dbraw/zinc/61/22/77/158612277.db2.gz MPYZGDZKWJMPQG-GFCCVEGCSA-N 0 0 323.422 0.443 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[C@@H](C)O ZINC000246819716 158672294 /nfs/dbraw/zinc/67/22/94/158672294.db2.gz BCOWLYKTAVBUIX-JHJVBQTASA-N 0 0 320.455 0.714 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248797964 158697862 /nfs/dbraw/zinc/69/78/62/158697862.db2.gz UNHIGZANNFSZRC-FDYHWXHSSA-N 0 0 307.394 0.864 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000276247260 158925085 /nfs/dbraw/zinc/92/50/85/158925085.db2.gz CJTUAQJRYFSAJT-LBPRGKRZSA-N 0 0 318.782 0.259 10 0 DCAERN CC(C)c1cccc(OCC(=O)N2CC[C@@](O)(C(N)=O)C2)c1 ZINC000319139566 159007094 /nfs/dbraw/zinc/00/70/94/159007094.db2.gz XLJVEZVZLBQCKG-INIZCTEOSA-N 0 0 306.362 0.638 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)CCS1(=O)=O ZINC000328671454 159019419 /nfs/dbraw/zinc/01/94/19/159019419.db2.gz NJRFBYNTPGFWOW-MNOVXSKESA-N 0 0 302.396 0.921 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@@H]1c1ncon1)N1CCCCC1=O ZINC000328712302 159022986 /nfs/dbraw/zinc/02/29/86/159022986.db2.gz BNNUCOWSAAGROQ-NWDGAFQWSA-N 0 0 322.365 0.761 10 0 DCAERN COc1cccc(CC(=O)N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000328713840 159023263 /nfs/dbraw/zinc/02/32/63/159023263.db2.gz CUUBJQJBTXUSMQ-OAHLLOKOSA-N 0 0 319.405 0.956 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)CCN2C(=O)CCC2=O)[nH]1 ZINC000328742674 159025707 /nfs/dbraw/zinc/02/57/07/159025707.db2.gz OBMWQXLFFIXVAC-LLVKDONJSA-N 0 0 319.365 0.706 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@@]12CCOC2)N1CCCCC1=O ZINC000328736791 159025803 /nfs/dbraw/zinc/02/58/03/159025803.db2.gz JWWJYQRPIRGZKU-BBRMVZONSA-N 0 0 310.394 0.795 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328872598 159036696 /nfs/dbraw/zinc/03/66/96/159036696.db2.gz DWYGTZCTRGSAGB-GHMZBOCLSA-N 0 0 307.354 0.994 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328902132 159038948 /nfs/dbraw/zinc/03/89/48/159038948.db2.gz GGJRYJUPVZUJBT-ILXRZTDVSA-N 0 0 323.437 0.709 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328902328 159039214 /nfs/dbraw/zinc/03/92/14/159039214.db2.gz GMIFDRURNZNTRI-CVEARBPZSA-N 0 0 320.437 0.901 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328949296 159045812 /nfs/dbraw/zinc/04/58/12/159045812.db2.gz WMWAJDRXPVDYGK-NSHDSACASA-N 0 0 311.367 0.736 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986234 159050086 /nfs/dbraw/zinc/05/00/86/159050086.db2.gz ZWXNEVGMIUMFTC-UONOGXRCSA-N 0 0 323.437 0.614 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000329036266 159054037 /nfs/dbraw/zinc/05/40/37/159054037.db2.gz RGRFGJVIFOTOQZ-XDQVBPFNSA-N 0 0 310.394 0.792 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329044590 159054777 /nfs/dbraw/zinc/05/47/77/159054777.db2.gz ULGGGRWOFNSRDX-VXGBXAGGSA-N 0 0 316.365 0.034 10 0 DCAERN CO[C@@H]1CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C[C@H]1OC ZINC000329110849 159063329 /nfs/dbraw/zinc/06/33/29/159063329.db2.gz QNPOCWKCHHUQBR-GHMZBOCLSA-N 0 0 305.396 0.214 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@H]1OC ZINC000329137154 159066767 /nfs/dbraw/zinc/06/67/67/159066767.db2.gz RHPOHLBXEGUVOI-FDYHWXHSSA-N 0 0 309.366 0.370 10 0 DCAERN O=c1cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)nc2ccccn12 ZINC000329155570 159068637 /nfs/dbraw/zinc/06/86/37/159068637.db2.gz CJVWUZPMUOHIAS-WCQYABFASA-N 0 0 319.386 0.313 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2ncncc2Cl)CC1 ZINC000329198551 159072400 /nfs/dbraw/zinc/07/24/00/159072400.db2.gz UQIYBWFKBXQGMU-UHFFFAOYSA-N 0 0 311.773 0.024 10 0 DCAERN CS(=O)(=O)c1nnc(CN2CCOCC3(CC3)C2)s1 ZINC000329202785 159073317 /nfs/dbraw/zinc/07/33/17/159073317.db2.gz WBXGGBGGSWXDPA-UHFFFAOYSA-N 0 0 303.409 0.554 10 0 DCAERN O=C([C@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)C1)N1CCCC1 ZINC000329255609 159076775 /nfs/dbraw/zinc/07/67/75/159076775.db2.gz DKGWVJZAHGAPLL-STQMWFEESA-N 0 0 316.423 0.440 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000329311590 159082379 /nfs/dbraw/zinc/08/23/79/159082379.db2.gz CRIQSWVLDAOAEP-KNCOVGOOSA-N 0 0 308.378 0.138 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C[C@]2(CCOC2)O1 ZINC000329354107 159084913 /nfs/dbraw/zinc/08/49/13/159084913.db2.gz VFJPDSRIHVYNSZ-PGUXBMHVSA-N 0 0 312.366 0.866 10 0 DCAERN C[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000329404260 159089705 /nfs/dbraw/zinc/08/97/05/159089705.db2.gz CHKFYSLTIGJWHP-RYUDHWBXSA-N 0 0 305.396 0.218 10 0 DCAERN Cc1cnn(CCN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1 ZINC000329440341 159093220 /nfs/dbraw/zinc/09/32/20/159093220.db2.gz KAQAGWZQNDXMET-QKKBWIMNSA-N 0 0 307.423 0.731 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329565133 159102849 /nfs/dbraw/zinc/10/28/49/159102849.db2.gz OEVVTDBXQVGGOH-GJZGRUSLSA-N 0 0 324.421 0.901 10 0 DCAERN O=S(=O)([C@@H]1CCCOC1)N1CCC[C@H]1CN1CCOCC1 ZINC000329570102 159103181 /nfs/dbraw/zinc/10/31/81/159103181.db2.gz QBXIDEADJFOPHO-UONOGXRCSA-N 0 0 318.439 0.292 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H]3CCC[C@@H]32)nn1 ZINC000329614786 159107282 /nfs/dbraw/zinc/10/72/82/159107282.db2.gz DAHSYSBRYYIMLO-RFQIPJPRSA-N 0 0 322.365 0.258 10 0 DCAERN c1nc2n(n1)CCN(c1nnc(C3CC3)n1C[C@@H]1CCCO1)C2 ZINC000329615759 159107439 /nfs/dbraw/zinc/10/74/39/159107439.db2.gz FLJGSJVDGRXDCQ-LBPRGKRZSA-N 0 0 315.381 0.946 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCOC4)CCO2)c1 ZINC000329665384 159109990 /nfs/dbraw/zinc/10/99/90/159109990.db2.gz PVUKBUUTUPPLDP-OFQRWUPVSA-N 0 0 305.378 0.846 10 0 DCAERN CN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H]1CCOC1 ZINC000329892735 159126765 /nfs/dbraw/zinc/12/67/65/159126765.db2.gz JDIAOZNMIUWAKX-LBPRGKRZSA-N 0 0 304.350 0.719 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)sc1C ZINC000329897937 159127613 /nfs/dbraw/zinc/12/76/13/159127613.db2.gz LRXCTDPDCIAMIL-GFCCVEGCSA-N 0 0 318.420 0.940 10 0 DCAERN CN1CCN(CC(=O)N2CCOCc3ccccc32)CC1=O ZINC000329946592 159131442 /nfs/dbraw/zinc/13/14/42/159131442.db2.gz XXQMTSSYFAHUMG-UHFFFAOYSA-N 0 0 303.362 0.324 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000329975819 159132503 /nfs/dbraw/zinc/13/25/03/159132503.db2.gz DUUSVODFZPAALW-NSHDSACASA-N 0 0 314.345 0.974 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CCS1(=O)=O ZINC000329996212 159134666 /nfs/dbraw/zinc/13/46/66/159134666.db2.gz OMDJIAVNMDBBRX-VIFPVBQESA-N 0 0 310.375 0.924 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCO[C@@H](C4CC4)C3)C2=O)n(C)n1 ZINC000330137590 159145043 /nfs/dbraw/zinc/14/50/43/159145043.db2.gz NXLUUCAMZACYGL-ZIAGYGMSSA-N 0 0 304.394 0.945 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@]2(O)CCSC2)C1 ZINC000330219633 159151617 /nfs/dbraw/zinc/15/16/17/159151617.db2.gz PRFHFJGOZLOCHP-NRUUGDAUSA-N 0 0 313.379 0.534 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2CCCN2C2CC2)n1 ZINC000330218278 159151765 /nfs/dbraw/zinc/15/17/65/159151765.db2.gz JEWAJOVBPAQQBJ-JHJVBQTASA-N 0 0 306.366 0.639 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000330602142 159201123 /nfs/dbraw/zinc/20/11/23/159201123.db2.gz ITKIFEOJCNZLSR-AWEZNQCLSA-N 0 0 319.409 0.902 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000330624360 159205293 /nfs/dbraw/zinc/20/52/93/159205293.db2.gz GBZDHNWESPUTMJ-UPJWGTAASA-N 0 0 300.399 0.272 10 0 DCAERN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)[C@@H](O)Cc1ccccc1 ZINC000332804663 159213280 /nfs/dbraw/zinc/21/32/80/159213280.db2.gz NNSFJQFYBBEGBQ-DZKIICNBSA-N 0 0 302.374 0.763 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000332766309 159213375 /nfs/dbraw/zinc/21/33/75/159213375.db2.gz USOMLYYAONHYCA-SGMGOOAPSA-N 0 0 307.398 0.866 10 0 DCAERN CN1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)CC1=O ZINC000332951452 159218496 /nfs/dbraw/zinc/21/84/96/159218496.db2.gz BMOSCUASVMDGAB-JSGCOSHPSA-N 0 0 301.390 0.890 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)Cc2cccn2C)nn1 ZINC000342143432 159228068 /nfs/dbraw/zinc/22/80/68/159228068.db2.gz SZWCGKUWXJLSON-ZIAGYGMSSA-N 0 0 319.365 0.475 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000366743881 159282741 /nfs/dbraw/zinc/28/27/41/159282741.db2.gz KJTCZKBZXPEGQE-NSHDSACASA-N 0 0 310.379 0.923 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C)CC1 ZINC000367035054 159306170 /nfs/dbraw/zinc/30/61/70/159306170.db2.gz GYHBACGNQPHRGP-CQSZACIVSA-N 0 0 317.393 0.445 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000367224658 159322902 /nfs/dbraw/zinc/32/29/02/159322902.db2.gz NUXGYHWAYONJDV-TUAOUCFPSA-N 0 0 323.393 0.829 10 0 DCAERN COC(=O)C1(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367247488 159325492 /nfs/dbraw/zinc/32/54/92/159325492.db2.gz VZWFNQBNPIHTRV-VXGBXAGGSA-N 0 0 311.378 0.624 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCOc2cccc(F)c2C1 ZINC000367313443 159330873 /nfs/dbraw/zinc/33/08/73/159330873.db2.gz XAIUCRDVUAWKMC-LLVKDONJSA-N 0 0 321.308 0.535 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000367401134 159336698 /nfs/dbraw/zinc/33/66/98/159336698.db2.gz FRIOHKQNBBMAMJ-NWDGAFQWSA-N 0 0 314.407 0.710 10 0 DCAERN Cc1nccn1-c1cncc(N[C@@H]2CS(=O)(=O)C[C@@H]2C)n1 ZINC000367935122 159365358 /nfs/dbraw/zinc/36/53/58/159365358.db2.gz MJVFHZULUOBERI-GXSJLCMTSA-N 0 0 307.379 0.816 10 0 DCAERN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cccc(O)c2)C1=O ZINC000367998874 159370203 /nfs/dbraw/zinc/37/02/03/159370203.db2.gz IIHNUROZGKWHPZ-MEDUHNTESA-N 0 0 317.345 0.843 10 0 DCAERN COc1cc(CNC(=O)N2CCN3CCOC[C@@H]3C2)ccn1 ZINC000368307157 159386257 /nfs/dbraw/zinc/38/62/57/159386257.db2.gz YQSHAKRLFGOAKJ-ZDUSSCGKSA-N 0 0 306.366 0.316 10 0 DCAERN O=S(=O)(CC1CCCCC1)N1CCN2CCOC[C@H]2C1 ZINC000368708786 159413963 /nfs/dbraw/zinc/41/39/63/159413963.db2.gz ZVROWMCIXYULNB-CQSZACIVSA-N 0 0 302.440 0.913 10 0 DCAERN O=S(=O)(CCCF)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374737895 159749585 /nfs/dbraw/zinc/74/95/85/159749585.db2.gz QCOJDMCUZPXTAS-RYUDHWBXSA-N 0 0 309.403 0.833 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CCN2CCOC[C@@H]2C1 ZINC000374960568 159762938 /nfs/dbraw/zinc/76/29/38/159762938.db2.gz CTQCQIGLMRVLHL-AWEZNQCLSA-N 0 0 309.410 0.322 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCN4CCOC[C@@H]4C3)cc12 ZINC000374971856 159763536 /nfs/dbraw/zinc/76/35/36/159763536.db2.gz SVVHOFXQVXUIQO-ZDUSSCGKSA-N 0 0 315.377 0.433 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c(F)c1 ZINC000375240463 159779718 /nfs/dbraw/zinc/77/97/18/159779718.db2.gz XIAQXXUHSXYDOY-LBPRGKRZSA-N 0 0 321.352 0.616 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375238265 159779886 /nfs/dbraw/zinc/77/98/86/159779886.db2.gz QNWUFMNZVHTOGQ-ZDUSSCGKSA-N 0 0 321.352 0.616 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)CNCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000375481918 159795115 /nfs/dbraw/zinc/79/51/15/159795115.db2.gz LUIVKFKODJJXQJ-PHDIDXHHSA-N 0 0 321.221 0.261 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCc2cccc3c2OCO3)C1 ZINC000376647302 159868329 /nfs/dbraw/zinc/86/83/29/159868329.db2.gz VWQWXAFJCLOTON-SNVBAGLBSA-N 0 0 305.334 0.822 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000377256875 159908843 /nfs/dbraw/zinc/90/88/43/159908843.db2.gz MRDVYTSPNAQPGS-GJZGRUSLSA-N 0 0 317.389 0.903 10 0 DCAERN C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000407977786 160000500 /nfs/dbraw/zinc/00/05/00/160000500.db2.gz YUWLRSQIEZONRX-JHJVBQTASA-N 0 0 320.455 0.823 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407976446 160000760 /nfs/dbraw/zinc/00/07/60/160000760.db2.gz ZYECOUCXHCYSBY-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)CC1(NC(=O)N2CCS(=O)(=O)CC2)CCCC1 ZINC000407977074 160000919 /nfs/dbraw/zinc/00/09/19/160000919.db2.gz PCHMORHSUYCALP-UHFFFAOYSA-N 0 0 318.395 0.302 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCCSCC2)C1 ZINC000407976617 160000975 /nfs/dbraw/zinc/00/09/75/160000975.db2.gz LZTWBDUBGHLKBK-NSHDSACASA-N 0 0 321.468 0.416 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCC[C@H]1C ZINC000407989075 160004043 /nfs/dbraw/zinc/00/40/43/160004043.db2.gz WLURNIJUGRNQDW-CHWSQXEVSA-N 0 0 324.425 0.698 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CC2 ZINC000407992386 160005012 /nfs/dbraw/zinc/00/50/12/160005012.db2.gz SDKBJEJAFINMMG-NEPJUHHUSA-N 0 0 319.409 0.530 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000407998049 160007287 /nfs/dbraw/zinc/00/72/87/160007287.db2.gz QJGVBGPIYKRPLN-LLVKDONJSA-N 0 0 321.343 0.998 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCO[C@H](CO)C2)C1 ZINC000408001349 160007828 /nfs/dbraw/zinc/00/78/28/160007828.db2.gz DWXUUFIYXABEMB-IHRRRGAJSA-N 0 0 312.410 0.491 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)C[C@H](C)O1 ZINC000408003325 160007837 /nfs/dbraw/zinc/00/78/37/160007837.db2.gz JLTLNEPXNUJRHW-HRDYMLBCSA-N 0 0 320.333 0.243 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408007351 160009520 /nfs/dbraw/zinc/00/95/20/160009520.db2.gz CNSCYAMMYKDUEP-CYBMUJFWSA-N 0 0 304.412 0.345 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000408009340 160009902 /nfs/dbraw/zinc/00/99/02/160009902.db2.gz TYAZUZCFVSRSGB-WCQYABFASA-N 0 0 303.428 0.564 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408015780 160012115 /nfs/dbraw/zinc/01/21/15/160012115.db2.gz FKNRNMDBTHLCTB-QWHCGFSZSA-N 0 0 306.428 0.148 10 0 DCAERN CC[C@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@@H]1O ZINC000408018410 160012773 /nfs/dbraw/zinc/01/27/73/160012773.db2.gz RJIPJDGIHLTTPD-GWCFXTLKSA-N 0 0 301.346 0.776 10 0 DCAERN CN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](CO)C(C)(C)C ZINC000408018173 160013029 /nfs/dbraw/zinc/01/30/29/160013029.db2.gz PXEAVPBUKAULBB-MNOVXSKESA-N 0 0 306.428 0.564 10 0 DCAERN CO[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)c1cnn(C)c1 ZINC000408020684 160013540 /nfs/dbraw/zinc/01/35/40/160013540.db2.gz FCLFMHNIUKGWAC-MJBXVCDLSA-N 0 0 308.382 0.039 10 0 DCAERN C[C@@H]1CCCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@H]1CO ZINC000408020175 160013548 /nfs/dbraw/zinc/01/35/48/160013548.db2.gz ZHPOCGRCDWSNHX-UTUOFQBUSA-N 0 0 304.412 0.318 10 0 DCAERN CCCCS(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408027131 160014500 /nfs/dbraw/zinc/01/45/00/160014500.db2.gz IXVSMEGRUDNDLR-NSHDSACASA-N 0 0 302.400 0.796 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC(C)(C)O1 ZINC000408026863 160014617 /nfs/dbraw/zinc/01/46/17/160014617.db2.gz JJJYQACDJWOUCG-NWDGAFQWSA-N 0 0 306.428 0.699 10 0 DCAERN CCC1(CO)CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000408037874 160019635 /nfs/dbraw/zinc/01/96/35/160019635.db2.gz IUMKHSXGWDCEJU-GFCCVEGCSA-N 0 0 300.424 0.919 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(C)o1 ZINC000408048310 160022868 /nfs/dbraw/zinc/02/28/68/160022868.db2.gz MBJUUEGMVVHTNA-QWRGUYRKSA-N 0 0 315.395 0.882 10 0 DCAERN Cc1csc2ncc(C(=O)N3C[C@@H](F)C[C@H]3CO)c(=O)n12 ZINC000408050339 160023943 /nfs/dbraw/zinc/02/39/43/160023943.db2.gz DBWVMPFXZPNCIP-IUCAKERBSA-N 0 0 311.338 0.609 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408056714 160025211 /nfs/dbraw/zinc/02/52/11/160025211.db2.gz KRGJCORGJPDSIT-JKSUJKDBSA-N 0 0 312.410 0.371 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1nccn1C ZINC000408056333 160025252 /nfs/dbraw/zinc/02/52/52/160025252.db2.gz GFGFSIIDNHLDIQ-MNOVXSKESA-N 0 0 302.400 0.206 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408064586 160026565 /nfs/dbraw/zinc/02/65/65/160026565.db2.gz LEGIFIPYMTWPCL-WCQGTBRESA-N 0 0 313.373 0.496 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)CC1=O ZINC000408065340 160026738 /nfs/dbraw/zinc/02/67/38/160026738.db2.gz YODMAXSGMRFUPL-BNOWGMLFSA-N 0 0 306.337 0.938 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000408074472 160030073 /nfs/dbraw/zinc/03/00/73/160030073.db2.gz PEMOQLUWBDNWMB-WXRRBKDZSA-N 0 0 309.410 0.794 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408080014 160032005 /nfs/dbraw/zinc/03/20/05/160032005.db2.gz ASORPLSUSJLQBY-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)nc1 ZINC000408081217 160032070 /nfs/dbraw/zinc/03/20/70/160032070.db2.gz RKGDENOJJDBLHC-NSHDSACASA-N 0 0 324.406 0.039 10 0 DCAERN CC1CCN(C(=O)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000408090004 160033348 /nfs/dbraw/zinc/03/33/48/160033348.db2.gz UEZSLGFKSUKFJG-GXTWGEPZSA-N 0 0 307.394 0.418 10 0 DCAERN O=S1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000408091273 160033485 /nfs/dbraw/zinc/03/34/85/160033485.db2.gz UWKJQIBXHBGWKG-UHFFFAOYSA-N 0 0 315.416 0.811 10 0 DCAERN CSCCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408092243 160034399 /nfs/dbraw/zinc/03/43/99/160034399.db2.gz KXERISQIWUTCQE-LLVKDONJSA-N 0 0 306.453 0.071 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)o1 ZINC000408098312 160035013 /nfs/dbraw/zinc/03/50/13/160035013.db2.gz QBOLULMRZCRILC-GFCCVEGCSA-N 0 0 300.380 0.683 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)o1 ZINC000408096915 160035106 /nfs/dbraw/zinc/03/51/06/160035106.db2.gz HFBKBRGRHXJGLN-UWVGGRQHSA-N 0 0 307.393 0.784 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NC[C@]1(CCO)CCOC1 ZINC000408099733 160035516 /nfs/dbraw/zinc/03/55/16/160035516.db2.gz NILCKOVYXYTBCW-OLZOCXBDSA-N 0 0 306.428 0.484 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCOC2)cn1C ZINC000408100117 160035772 /nfs/dbraw/zinc/03/57/72/160035772.db2.gz PXWUSNYIDHDUSJ-SNVBAGLBSA-N 0 0 315.395 0.136 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cnc3c(C)cccn3c2=O)C[C@H]1O ZINC000408098416 160035910 /nfs/dbraw/zinc/03/59/10/160035910.db2.gz USBNVALCRWSJOS-DGCLKSJQSA-N 0 0 301.346 0.846 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N(C)C)n2)C1 ZINC000408108966 160037368 /nfs/dbraw/zinc/03/73/68/160037368.db2.gz VMTRSBMFWCGBEM-NSHDSACASA-N 0 0 313.427 0.609 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408115772 160039475 /nfs/dbraw/zinc/03/94/75/160039475.db2.gz LZVDQRDSUSFTHU-JMJZKYOTSA-N 0 0 314.363 0.078 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@](F)(CO)C2)C1 ZINC000408120053 160040493 /nfs/dbraw/zinc/04/04/93/160040493.db2.gz SDDGQUQUSIKOAR-IUODEOHRSA-N 0 0 300.374 0.958 10 0 DCAERN Cc1nc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cn1C ZINC000408122738 160042183 /nfs/dbraw/zinc/04/21/83/160042183.db2.gz ZIEUPBRQTBUGCU-UHFFFAOYSA-N 0 0 300.384 0.051 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000408131765 160044089 /nfs/dbraw/zinc/04/40/89/160044089.db2.gz IEKIWKVQLUJTNZ-TUAOUCFPSA-N 0 0 303.428 0.418 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000408141271 160046332 /nfs/dbraw/zinc/04/63/32/160046332.db2.gz MIHMLXXAMSYXHI-ZETCQYMHSA-N 0 0 323.168 0.545 10 0 DCAERN CN(C)c1nnc(SC[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000408146807 160047456 /nfs/dbraw/zinc/04/74/56/160047456.db2.gz VJKRHCJSELBRRL-QMMMGPOBSA-N 0 0 322.481 0.978 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000408145628 160047747 /nfs/dbraw/zinc/04/77/47/160047747.db2.gz JQAAJULIQMIOSD-IHRRRGAJSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408159679 160049908 /nfs/dbraw/zinc/04/99/08/160049908.db2.gz GRYCOBTZXACPMS-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(C)=O)CC1 ZINC000408168275 160051926 /nfs/dbraw/zinc/05/19/26/160051926.db2.gz ILBCLPKQYZRKFM-CQSZACIVSA-N 0 0 324.425 0.603 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1Cc1nnc2n1CCCCC2 ZINC000408169486 160052024 /nfs/dbraw/zinc/05/20/24/160052024.db2.gz RIGGMQQISRZUGW-LLVKDONJSA-N 0 0 313.427 0.257 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1 ZINC000408171785 160052590 /nfs/dbraw/zinc/05/25/90/160052590.db2.gz NSKOBZVZOJIQOC-PWSUYJOCSA-N 0 0 300.380 0.872 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCOCC2(CC2)C1 ZINC000408178706 160053383 /nfs/dbraw/zinc/05/33/83/160053383.db2.gz ZRELBVYKMBABRB-UHFFFAOYSA-N 0 0 304.412 0.297 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000408184526 160054969 /nfs/dbraw/zinc/05/49/69/160054969.db2.gz YJYAGSLESUGHDL-SNVBAGLBSA-N 0 0 310.379 0.118 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189820 160056142 /nfs/dbraw/zinc/05/61/42/160056142.db2.gz QJSRJCCTJHHFMK-LDYMZIIASA-N 0 0 311.304 0.610 10 0 DCAERN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC000408198270 160057425 /nfs/dbraw/zinc/05/74/25/160057425.db2.gz QNKWVCFODNHSAX-GFCCVEGCSA-N 0 0 318.377 0.960 10 0 DCAERN Cc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)nc(C)n1 ZINC000408195009 160057613 /nfs/dbraw/zinc/05/76/13/160057613.db2.gz JVXRMGNBWCPKKE-LBPRGKRZSA-N 0 0 309.391 0.885 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)CC(=O)N1 ZINC000408200462 160058222 /nfs/dbraw/zinc/05/82/22/160058222.db2.gz CDIOZIPSOJCVSX-AAEUAGOBSA-N 0 0 321.421 0.761 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC(=O)N1 ZINC000408201177 160058580 /nfs/dbraw/zinc/05/85/80/160058580.db2.gz DFFSNFCGOGCMRC-VOAKCMCISA-N 0 0 309.410 0.664 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC(=O)N1 ZINC000408203256 160059293 /nfs/dbraw/zinc/05/92/93/160059293.db2.gz KUECTSUUYWMGCK-UTUOFQBUSA-N 0 0 321.381 0.318 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408205448 160059760 /nfs/dbraw/zinc/05/97/60/160059760.db2.gz YGEZDXMVJOXNDV-JTQLQIEISA-N 0 0 319.404 0.503 10 0 DCAERN C[C@@H]1CSCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408220102 160063100 /nfs/dbraw/zinc/06/31/00/160063100.db2.gz SQXTWYAGZJQEDU-SECBINFHSA-N 0 0 301.455 0.188 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H]1OC ZINC000408229110 160064162 /nfs/dbraw/zinc/06/41/62/160064162.db2.gz MVAUDUWUYJWUOH-OBPIAQAESA-N 0 0 322.427 0.122 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)[C@H]1OC ZINC000408227472 160064231 /nfs/dbraw/zinc/06/42/31/160064231.db2.gz BUELETFFLBEAOH-WUHRBBMRSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@H]1[C@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1(F)F ZINC000408231247 160064529 /nfs/dbraw/zinc/06/45/29/160064529.db2.gz LQLXHUILIWAEAH-JOYOIKCWSA-N 0 0 303.353 0.556 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)s1 ZINC000408235892 160066182 /nfs/dbraw/zinc/06/61/82/160066182.db2.gz GRVFPTNHNIETBZ-BDAKNGLRSA-N 0 0 305.425 0.895 10 0 DCAERN CN1CCOc2ccc(NC(=O)N3C[C@H](O)C[C@@H]3CO)cc21 ZINC000408238045 160066971 /nfs/dbraw/zinc/06/69/71/160066971.db2.gz QRUXTZWMGIKSBJ-VXGBXAGGSA-N 0 0 307.350 0.475 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245901 160068272 /nfs/dbraw/zinc/06/82/72/160068272.db2.gz HQJMTXJCPRKMKM-MRXNPFEDSA-N 0 0 309.410 0.668 10 0 DCAERN COc1ncnc(OC)c1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245519 160068374 /nfs/dbraw/zinc/06/83/74/160068374.db2.gz GQYZGZVFFLLVOO-HNNXBMFYSA-N 0 0 320.349 0.236 10 0 DCAERN COc1ncnc(OC)c1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245521 160068561 /nfs/dbraw/zinc/06/85/61/160068561.db2.gz GQYZGZVFFLLVOO-OAHLLOKOSA-N 0 0 320.349 0.236 10 0 DCAERN C[C@]1(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CCCO1 ZINC000408249311 160068958 /nfs/dbraw/zinc/06/89/58/160068958.db2.gz RZDOGWYKPNWCNN-NQBHXWOUSA-N 0 0 304.412 0.390 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000408247960 160068988 /nfs/dbraw/zinc/06/89/88/160068988.db2.gz QUTKZBFJXXPVTN-SYQHCUMBSA-N 0 0 321.421 0.759 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@H]2COCC[C@H]21 ZINC000408248546 160069257 /nfs/dbraw/zinc/06/92/57/160069257.db2.gz FVTWDJQKIBTJEI-NWDGAFQWSA-N 0 0 309.366 0.346 10 0 DCAERN Cn1nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1OC(F)F ZINC000408265956 160071958 /nfs/dbraw/zinc/07/19/58/160071958.db2.gz VXQONCPLERMJHB-QXFUBDJGSA-N 0 0 301.293 0.864 10 0 DCAERN CC1(C)CN(C(=O)c2cc(S(C)(=O)=O)cs2)C[C@@H]1O ZINC000408265768 160072109 /nfs/dbraw/zinc/07/21/09/160072109.db2.gz MIKPPBLZZAQCQQ-JTQLQIEISA-N 0 0 303.405 0.995 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000408266561 160072859 /nfs/dbraw/zinc/07/28/59/160072859.db2.gz QFZWNNUKVDMFJL-NSHDSACASA-N 0 0 304.350 0.820 10 0 DCAERN Cn1nccc1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408276166 160074116 /nfs/dbraw/zinc/07/41/16/160074116.db2.gz GDRZZGPPWIFNPY-UWVGGRQHSA-N 0 0 300.384 0.010 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000408293929 160078457 /nfs/dbraw/zinc/07/84/57/160078457.db2.gz JGBUNGBANNUTIC-NEPJUHHUSA-N 0 0 303.362 0.913 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000408293897 160078466 /nfs/dbraw/zinc/07/84/66/160078466.db2.gz IYVDUACZMYELLC-WDEREUQCSA-N 0 0 301.346 0.458 10 0 DCAERN CC(=O)NC1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C1 ZINC000408295272 160078469 /nfs/dbraw/zinc/07/84/69/160078469.db2.gz STEPWAGXQWJLCT-UHFFFAOYSA-N 0 0 324.425 0.744 10 0 DCAERN C[C@@]1(CO)CCC[C@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000408301097 160079719 /nfs/dbraw/zinc/07/97/19/160079719.db2.gz NXNGKEDUQJWOPU-YGRLFVJLSA-N 0 0 309.391 0.630 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000408299937 160079890 /nfs/dbraw/zinc/07/98/90/160079890.db2.gz FQSLXLNADJLYBP-NSHDSACASA-N 0 0 300.384 0.048 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2COCCO2)C[C@H]1C ZINC000408300386 160079966 /nfs/dbraw/zinc/07/99/66/160079966.db2.gz YECFBFUOQOZWEJ-GRYCIOLGSA-N 0 0 300.355 0.242 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCCO1 ZINC000408303533 160081046 /nfs/dbraw/zinc/08/10/46/160081046.db2.gz QKQGRJAWZRJFCX-SECBINFHSA-N 0 0 316.354 0.724 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCSC3)CC2)n1 ZINC000408305668 160081658 /nfs/dbraw/zinc/08/16/58/160081658.db2.gz LUWNMRXDHFRZKT-LBPRGKRZSA-N 0 0 321.450 0.944 10 0 DCAERN O=C(NCC(F)(F)F)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408309731 160082086 /nfs/dbraw/zinc/08/20/86/160082086.db2.gz OEAZFLKAMIQBRZ-SECBINFHSA-N 0 0 309.288 0.628 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000408309762 160082396 /nfs/dbraw/zinc/08/23/96/160082396.db2.gz OSQBCCWZNYSGLH-TUAOUCFPSA-N 0 0 305.396 0.769 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408311579 160083069 /nfs/dbraw/zinc/08/30/69/160083069.db2.gz YGNYPUXRUUOVQI-UHFFFAOYSA-N 0 0 303.306 0.226 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000408317569 160084226 /nfs/dbraw/zinc/08/42/26/160084226.db2.gz XFHHDODOPQYLIB-GFCCVEGCSA-N 0 0 302.396 0.262 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1C ZINC000408321279 160084648 /nfs/dbraw/zinc/08/46/48/160084648.db2.gz QKYPXILRJOQRBG-BXKDBHETSA-N 0 0 321.377 0.668 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C2(O)CCOCC2)C1 ZINC000408321407 160084798 /nfs/dbraw/zinc/08/47/98/160084798.db2.gz PEYWKLSTOAEVJE-CHWSQXEVSA-N 0 0 312.410 0.728 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@]2(CCOC2)O1 ZINC000408326531 160085268 /nfs/dbraw/zinc/08/52/68/160085268.db2.gz NEHIFGQCLMCHCP-BONVTDFDSA-N 0 0 307.350 0.144 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)o1 ZINC000408334702 160086926 /nfs/dbraw/zinc/08/69/26/160086926.db2.gz BXIBCTGHTORXES-ZJUUUORDSA-N 0 0 303.384 0.681 10 0 DCAERN CC(=O)Nc1ccc(F)c(NS(=O)(=O)N2CCOCC2)c1 ZINC000408337380 160087259 /nfs/dbraw/zinc/08/72/59/160087259.db2.gz UMEHVRAQZSTGGV-UHFFFAOYSA-N 0 0 317.342 0.773 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000408345075 160088999 /nfs/dbraw/zinc/08/89/99/160088999.db2.gz FGSSFZLAIWXDIV-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnn2)C[C@@]2(CCCOC2)O1 ZINC000408348939 160089657 /nfs/dbraw/zinc/08/96/57/160089657.db2.gz LMIBBPVQYSPDOO-UKRRQHHQSA-N 0 0 323.397 0.648 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000408351528 160090566 /nfs/dbraw/zinc/09/05/66/160090566.db2.gz FYEDYOXFGHVWLI-NWDGAFQWSA-N 0 0 300.424 0.775 10 0 DCAERN Cc1nc2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2s1 ZINC000408356883 160091386 /nfs/dbraw/zinc/09/13/86/160091386.db2.gz HOJDMBYPNQEGBP-UHFFFAOYSA-N 0 0 311.388 0.725 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000408362063 160092362 /nfs/dbraw/zinc/09/23/62/160092362.db2.gz LJBGZYPMITWBSX-JTQLQIEISA-N 0 0 318.399 0.811 10 0 DCAERN CCC1(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000408360503 160092400 /nfs/dbraw/zinc/09/24/00/160092400.db2.gz VDRXYYMSMQKLCS-CQSZACIVSA-N 0 0 323.437 0.568 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@H]1O ZINC000408364818 160093369 /nfs/dbraw/zinc/09/33/69/160093369.db2.gz NJFIGAWGXZSHPF-SCZZXKLOSA-N 0 0 309.338 0.540 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC[C@@H]1O ZINC000408374867 160094513 /nfs/dbraw/zinc/09/45/13/160094513.db2.gz IYQXCITZKTVCEF-KCJUWKMLSA-N 0 0 316.354 0.316 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](O)[C@H](C)C3)cnc12 ZINC000408373411 160094567 /nfs/dbraw/zinc/09/45/67/160094567.db2.gz DNBODPXKKIIOSM-DGCLKSJQSA-N 0 0 301.346 0.846 10 0 DCAERN O=C(CCNC(=O)N1CCO[C@H](CO)C1)N1CCCCCC1 ZINC000408378443 160095159 /nfs/dbraw/zinc/09/51/59/160095159.db2.gz DZVFJPRTAHUWQU-ZDUSSCGKSA-N 0 0 313.398 0.182 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408384908 160096639 /nfs/dbraw/zinc/09/66/39/160096639.db2.gz HHJRAFUMEANCMY-VHSXEESVSA-N 0 0 304.372 0.072 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CCC1=O ZINC000408386324 160097471 /nfs/dbraw/zinc/09/74/71/160097471.db2.gz OSPJOIDVABIPBD-SECBINFHSA-N 0 0 314.363 0.581 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCSC[C@@H]1CO ZINC000408389017 160098285 /nfs/dbraw/zinc/09/82/85/160098285.db2.gz YKMLZPJBQKYLJK-ZETCQYMHSA-N 0 0 311.816 0.172 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)Nc2ccnc(C)c2)n1 ZINC000408391656 160098375 /nfs/dbraw/zinc/09/83/75/160098375.db2.gz CJBHKLJHQJGBAF-NWDGAFQWSA-N 0 0 303.322 0.843 10 0 DCAERN O=C(CN1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1)N1CCOCC1 ZINC000408392790 160098964 /nfs/dbraw/zinc/09/89/64/160098964.db2.gz CUMPQZGMKWOJNU-CABCVRRESA-N 0 0 321.421 0.036 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2C)c(C)o1 ZINC000408396092 160099641 /nfs/dbraw/zinc/09/96/41/160099641.db2.gz OJNHRCIECUAJRO-VIFPVBQESA-N 0 0 315.395 0.272 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC(C)CC1 ZINC000408395159 160099679 /nfs/dbraw/zinc/09/96/79/160099679.db2.gz SYQNOUGMEDXSRP-GFCCVEGCSA-N 0 0 313.427 0.988 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1=O ZINC000408399479 160100570 /nfs/dbraw/zinc/10/05/70/160100570.db2.gz HWFFUCYJFLBHAT-LLVKDONJSA-N 0 0 321.255 0.015 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000408404416 160101027 /nfs/dbraw/zinc/10/10/27/160101027.db2.gz ISSDZOIZJIXWAY-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000408400386 160101058 /nfs/dbraw/zinc/10/10/58/160101058.db2.gz ROAXFSNPGXCLNQ-OKILXGFUSA-N 0 0 319.361 0.492 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CCO1 ZINC000408403780 160101194 /nfs/dbraw/zinc/10/11/94/160101194.db2.gz CPKQJEWLYGARNL-MNOVXSKESA-N 0 0 323.353 0.005 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@H]3CO)c(O)c2O1 ZINC000408410310 160102695 /nfs/dbraw/zinc/10/26/95/160102695.db2.gz NPMCVOHWKOMHRW-WDEREUQCSA-N 0 0 307.346 0.673 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCN(C)C[C@@H]2C)c(F)c1 ZINC000408435653 160107761 /nfs/dbraw/zinc/10/77/61/160107761.db2.gz YRDZGSPMYMJCPA-JTQLQIEISA-N 0 0 301.387 0.874 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000408460711 160113349 /nfs/dbraw/zinc/11/33/49/160113349.db2.gz QOMPORMKAMTZHF-CHWSQXEVSA-N 0 0 313.423 0.466 10 0 DCAERN CC1(S(=O)(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000408461097 160113827 /nfs/dbraw/zinc/11/38/27/160113827.db2.gz TXHCMIXUCWWONV-SECBINFHSA-N 0 0 312.395 0.570 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000408468956 160114381 /nfs/dbraw/zinc/11/43/81/160114381.db2.gz RTXGYCCRDOKUKS-UHFFFAOYSA-N 0 0 315.439 0.565 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2nnc(C(F)(F)F)s2)C1 ZINC000408467040 160114635 /nfs/dbraw/zinc/11/46/35/160114635.db2.gz KFNJDHJGZLUXPB-YFKPBYRVSA-N 0 0 316.330 0.685 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000094134763 292439693 /nfs/dbraw/zinc/43/96/93/292439693.db2.gz GGQDGBJSRAEBFS-RYUDHWBXSA-N 0 0 300.399 0.753 10 0 DCAERN CN(C)C(=O)C1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000058773195 286900427 /nfs/dbraw/zinc/90/04/27/286900427.db2.gz FLDNXHDZRUUOSZ-UHFFFAOYSA-N 0 0 324.425 0.555 10 0 DCAERN Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(Cl)cc1F ZINC000126532976 286972029 /nfs/dbraw/zinc/97/20/29/286972029.db2.gz FRPLZJKJVQVUDC-UHFFFAOYSA-N 0 0 301.705 0.200 10 0 DCAERN CN(C)c1nc(Cn2c(=O)onc2-c2cccnc2)ns1 ZINC000128597107 286983543 /nfs/dbraw/zinc/98/35/43/286983543.db2.gz KCQMZOKOAOXYSQ-UHFFFAOYSA-N 0 0 304.335 0.864 10 0 DCAERN COCCc1cc(NC(=O)C(=O)NCC2(C)CCC2)n(C)n1 ZINC000128086667 286981224 /nfs/dbraw/zinc/98/12/24/286981224.db2.gz AOMVJPQTKDLHRW-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H](C(N)=O)O1 ZINC000378159331 296840795 /nfs/dbraw/zinc/84/07/95/296840795.db2.gz DDXZPPOZGVLEJO-FHUSYTEZSA-N 0 0 311.382 0.228 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000134178310 287015137 /nfs/dbraw/zinc/01/51/37/287015137.db2.gz NEYCXCSIDSWHJO-GFCCVEGCSA-N 0 0 300.399 0.612 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C1CCOCC1 ZINC000134884001 287018982 /nfs/dbraw/zinc/01/89/82/287018982.db2.gz JNQCJPPFUIFZPL-WDEREUQCSA-N 0 0 304.412 0.630 10 0 DCAERN CCc1nc(CNS(=O)(=O)C[C@@H](C)C(=O)OC)cs1 ZINC000151985563 287037373 /nfs/dbraw/zinc/03/73/73/287037373.db2.gz SXZWWAPJPKJATL-MRVPVSSYSA-N 0 0 306.409 0.934 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000152150687 287039027 /nfs/dbraw/zinc/03/90/27/287039027.db2.gz XVIXRFMCYJOBPY-SNVBAGLBSA-N 0 0 316.292 0.751 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000153450490 287050160 /nfs/dbraw/zinc/05/01/60/287050160.db2.gz FKMYDDRJKWVIGV-JTQLQIEISA-N 0 0 317.276 0.202 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CCO1 ZINC000181014380 287056256 /nfs/dbraw/zinc/05/62/56/287056256.db2.gz AZQFGTXQDCVNQE-SNVBAGLBSA-N 0 0 315.395 0.136 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCSCC2)cn1C ZINC000181049850 287056322 /nfs/dbraw/zinc/05/63/22/287056322.db2.gz AANOYIVIIBZFDA-UHFFFAOYSA-N 0 0 317.436 0.464 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000245532153 287070490 /nfs/dbraw/zinc/07/04/90/287070490.db2.gz XXDIYWOKVOYTDX-RWMBFGLXSA-N 0 0 315.439 0.852 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245580209 287070862 /nfs/dbraw/zinc/07/08/62/287070862.db2.gz BCHIVGUVFOKZNX-RNJOBUHISA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000245761827 287073044 /nfs/dbraw/zinc/07/30/44/287073044.db2.gz PVMVBTXTKYHHPI-ZSBIGDGJSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000246212003 287079354 /nfs/dbraw/zinc/07/93/54/287079354.db2.gz SATCWZAOAITFFX-TUAOUCFPSA-N 0 0 306.428 0.433 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246191062 287078550 /nfs/dbraw/zinc/07/85/50/287078550.db2.gz MKJBMEPLPDVXAJ-RWMBFGLXSA-N 0 0 319.471 0.934 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)C[C@@H](C)O1 ZINC000246200643 287078840 /nfs/dbraw/zinc/07/88/40/287078840.db2.gz PMDQXZJTZJWWHU-SYQHCUMBSA-N 0 0 320.455 0.871 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CCN1C[C@@H](C)O ZINC000246196212 287078857 /nfs/dbraw/zinc/07/88/57/287078857.db2.gz OMJGARAGYXUWIY-MGPQQGTHSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000246976526 287089918 /nfs/dbraw/zinc/08/99/18/287089918.db2.gz GYLKQOAFEVEDPX-QWRGUYRKSA-N 0 0 310.441 0.082 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000247175032 287091793 /nfs/dbraw/zinc/09/17/93/287091793.db2.gz UIRKOLGWEVBQKG-GRYCIOLGSA-N 0 0 304.412 0.519 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000247219247 287092050 /nfs/dbraw/zinc/09/20/50/287092050.db2.gz BRISZDHSKRFBLX-ZDEQEGDKSA-N 0 0 306.428 0.840 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000247284863 287092395 /nfs/dbraw/zinc/09/23/95/287092395.db2.gz DJPCNZSZQALGSX-WOPDTQHZSA-N 0 0 310.398 0.339 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248769905 287101468 /nfs/dbraw/zinc/10/14/68/287101468.db2.gz AFSIZDFHASRKHF-TUAOUCFPSA-N 0 0 304.412 0.847 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000249258252 287108211 /nfs/dbraw/zinc/10/82/11/287108211.db2.gz HPUVYYZFPLUXLH-BTTYYORXSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000249338108 287108969 /nfs/dbraw/zinc/10/89/69/287108969.db2.gz CYLLLJHCMUZGHU-SDDRHHMPSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000249391652 287109859 /nfs/dbraw/zinc/10/98/59/287109859.db2.gz BSAZZROCLMMOAP-UHIISALHSA-N 0 0 306.362 0.587 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@H](CO)[C@@H](O)C1)C(C)C ZINC000249555418 287113903 /nfs/dbraw/zinc/11/39/03/287113903.db2.gz LVNMLNWEQONOIB-IPYPFGDCSA-N 0 0 314.426 0.375 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000249723856 287117784 /nfs/dbraw/zinc/11/77/84/287117784.db2.gz FJGROGXYAHTTDV-YNEHKIRRSA-N 0 0 318.439 0.610 10 0 DCAERN CO[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CC[C@@H]1C ZINC000252013805 287120232 /nfs/dbraw/zinc/12/02/32/287120232.db2.gz XYHUTFYZKJSOKH-WCQYABFASA-N 0 0 316.427 0.055 10 0 DCAERN O=C(NC/C=C\c1ccccc1)NCCCN1C(=O)CNC1=O ZINC000255770348 287126563 /nfs/dbraw/zinc/12/65/63/287126563.db2.gz JFSPHARVEQNMTI-YWEYNIOJSA-N 0 0 316.361 0.941 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1=O ZINC000189311187 292526453 /nfs/dbraw/zinc/52/64/53/292526453.db2.gz SDRCEKWBGZLWEJ-TZMCWYRMSA-N 0 0 310.394 0.699 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000189320117 287179716 /nfs/dbraw/zinc/17/97/16/287179716.db2.gz KNUMPGKJLQMPJW-RDBSUJKOSA-N 0 0 309.410 0.367 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CC[C@H](C)O ZINC000355429157 287181881 /nfs/dbraw/zinc/18/18/81/287181881.db2.gz XYQIADLRNDHMKN-NSHDSACASA-N 0 0 321.377 0.837 10 0 DCAERN C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)[NH+](C)C ZINC000037985816 298775984 /nfs/dbraw/zinc/77/59/84/298775984.db2.gz OXHCDYIFRJRNNF-LLVKDONJSA-N 0 0 314.407 0.932 10 0 DCAERN O=C(CN1C(=O)COc2ccccc21)NC[C@H](CO)C1CC1 ZINC000358313955 287207294 /nfs/dbraw/zinc/20/72/94/287207294.db2.gz VKILJLQMTCPCFU-GFCCVEGCSA-N 0 0 304.346 0.547 10 0 DCAERN c1c(CNc2nc3ncccn3n2)nnn1C[C@H]1CCOC1 ZINC000630953185 412433484 /nfs/dbraw/zinc/43/34/84/412433484.db2.gz CYTUREBPSQWGTN-SNVBAGLBSA-N 0 0 300.326 0.364 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC(=O)N1 ZINC000408202760 287267478 /nfs/dbraw/zinc/26/74/78/287267478.db2.gz NXUBAAXFGBBERZ-GHMZBOCLSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000265830227 415134192 /nfs/dbraw/zinc/13/41/92/415134192.db2.gz WGODZARZIZRXGJ-NXEZZACHSA-N 0 0 316.379 0.779 10 0 DCAERN C(c1nnnn1C1CC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000047258538 415268107 /nfs/dbraw/zinc/26/81/07/415268107.db2.gz MXJSTOYJTWSLLG-UHFFFAOYSA-N 0 0 314.397 0.925 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@H](C)n1nc(C)cc1C ZINC000051470473 415313380 /nfs/dbraw/zinc/31/33/80/415313380.db2.gz VNJZGDYHYMSWFN-LBPRGKRZSA-N 0 0 316.427 0.507 10 0 DCAERN Cc1nn(C)c(=O)c(-c2nc([C@@H]3CN4CCN3CC4)no2)c1C ZINC000274138359 415325504 /nfs/dbraw/zinc/32/55/04/415325504.db2.gz WNECXPJBWITVEE-NSHDSACASA-N 0 0 316.365 0.119 10 0 DCAERN Cn1nnnc1SCCC(=O)N[C@@H]1COc2ccccc21 ZINC000058725894 415340296 /nfs/dbraw/zinc/34/02/96/415340296.db2.gz VRPHAYMXTFUTMK-SNVBAGLBSA-N 0 0 305.363 0.942 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCC[NH+]3CCOCC3)c2n1 ZINC000068753649 415393719 /nfs/dbraw/zinc/39/37/19/415393719.db2.gz ZGCGCWKKINRABY-UHFFFAOYSA-N 0 0 317.393 0.880 10 0 DCAERN CN(C)C(=O)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068549743 415394937 /nfs/dbraw/zinc/39/49/37/415394937.db2.gz QBXLDDQFQDDTOW-UHFFFAOYSA-N 0 0 319.409 0.042 10 0 DCAERN O=C(NC1CCCC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275963163 415401286 /nfs/dbraw/zinc/40/12/86/415401286.db2.gz NARXWLQDDCOZFQ-UHFFFAOYSA-N 0 0 315.381 0.899 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276033281 415415779 /nfs/dbraw/zinc/41/57/79/415415779.db2.gz RNDPHGYNMBGILI-LBPRGKRZSA-N 0 0 305.382 0.881 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000066530277 415360121 /nfs/dbraw/zinc/36/01/21/415360121.db2.gz GFRYLIAMXKEIID-UHFFFAOYSA-N 0 0 309.366 0.777 10 0 DCAERN CSC[C@@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000066815662 415364307 /nfs/dbraw/zinc/36/43/07/415364307.db2.gz OMQCEXUIZPVILC-SECBINFHSA-N 0 0 302.421 0.949 10 0 DCAERN C[C@@H](CNC(=O)COc1ccccc1C=O)N1CCOCC1 ZINC000066611758 415366629 /nfs/dbraw/zinc/36/66/29/415366629.db2.gz HWHCHRRQNMNEAA-ZDUSSCGKSA-N 0 0 306.362 0.715 10 0 DCAERN CCC(=O)N(C)[C@@H](C)C1=CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000067677652 415381263 /nfs/dbraw/zinc/38/12/63/415381263.db2.gz ONEGNPXKLWYZKX-NSHDSACASA-N 0 0 320.393 0.452 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)ccc1F ZINC000084188158 415491685 /nfs/dbraw/zinc/49/16/85/415491685.db2.gz YSMKXECVRKJWDV-JTQLQIEISA-N 0 0 316.354 0.643 10 0 DCAERN NC(=O)CN1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000075613059 415453008 /nfs/dbraw/zinc/45/30/08/415453008.db2.gz PNPMVNWYLUNXOL-UHFFFAOYSA-N 0 0 317.368 0.614 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332765165 415467143 /nfs/dbraw/zinc/46/71/43/415467143.db2.gz LKROPYZXSQHMEQ-MNOVXSKESA-N 0 0 307.354 0.171 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC000276339979 415474416 /nfs/dbraw/zinc/47/44/16/415474416.db2.gz GCENGEIJJUCGQU-CWSCBRNRSA-N 0 0 307.350 0.842 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000332795455 415477641 /nfs/dbraw/zinc/47/76/41/415477641.db2.gz PSNTVKRNIKKEOU-MEBFFEOJSA-N 0 0 321.381 0.475 10 0 DCAERN COC[C@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000085822653 415505714 /nfs/dbraw/zinc/50/57/14/415505714.db2.gz RCHHXXMIRMPBKZ-QWHCGFSZSA-N 0 0 306.428 0.005 10 0 DCAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086432120 415510074 /nfs/dbraw/zinc/51/00/74/415510074.db2.gz JRSOOEQZINOOMO-JTQLQIEISA-N 0 0 302.338 0.762 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000089160516 415519272 /nfs/dbraw/zinc/51/92/72/415519272.db2.gz VGXHFWKSBLKKKP-OLZOCXBDSA-N 0 0 318.439 0.325 10 0 DCAERN Cn1cnc(CNC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000332997502 415522352 /nfs/dbraw/zinc/52/23/52/415522352.db2.gz AJMSGWKFDBLJIF-PSASIEDQSA-N 0 0 321.303 0.660 10 0 DCAERN Cc1nnc([C@@H]2COCCN2S(=O)(=O)CCC2CC2)o1 ZINC000333013455 415532134 /nfs/dbraw/zinc/53/21/34/415532134.db2.gz BQJJMALMWHCGEA-NSHDSACASA-N 0 0 301.368 0.881 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000333057360 415542149 /nfs/dbraw/zinc/54/21/49/415542149.db2.gz IBDHAGYZDOHBCO-UHFFFAOYSA-N 0 0 317.389 0.890 10 0 DCAERN COC(=O)[C@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696306 415543865 /nfs/dbraw/zinc/54/38/65/415543865.db2.gz WHHUDPGAZFGAEX-VXGBXAGGSA-N 0 0 306.428 0.445 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000333129986 415563224 /nfs/dbraw/zinc/56/32/24/415563224.db2.gz WOUUCCMYJDRFEK-FVCCEPFGSA-N 0 0 322.427 0.124 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000333131541 415567637 /nfs/dbraw/zinc/56/76/37/415567637.db2.gz WVAPDQMIXYVCRC-GVUJHPQVSA-N 0 0 320.393 0.764 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000333161235 415573575 /nfs/dbraw/zinc/57/35/75/415573575.db2.gz LZHLMOKJFCGMRU-LLVKDONJSA-N 0 0 314.411 0.428 10 0 DCAERN COC(=O)[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)CCO1 ZINC000103147121 415609371 /nfs/dbraw/zinc/60/93/71/415609371.db2.gz YWTYAXJQQPNTSZ-CYBMUJFWSA-N 0 0 316.361 0.856 10 0 DCAERN Nc1ncc(-c2nc3cccnc3c(N3CCOCC3)n2)cn1 ZINC000103255548 415612313 /nfs/dbraw/zinc/61/23/13/415612313.db2.gz NNPNFQBRMCHWBW-UHFFFAOYSA-N 0 0 309.333 0.901 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N(C)[C@H]3CCOC3)cc12 ZINC000106897686 415650811 /nfs/dbraw/zinc/65/08/11/415650811.db2.gz DFDYROHMKOYZAN-JTQLQIEISA-N 0 0 310.379 0.686 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000333443871 415651658 /nfs/dbraw/zinc/65/16/58/415651658.db2.gz QEQHBJCPTRJNJS-MGPQQGTHSA-N 0 0 320.455 0.536 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284111439 415592684 /nfs/dbraw/zinc/59/26/84/415592684.db2.gz BVFQXBNRMGADQJ-GFCCVEGCSA-N 0 0 304.350 0.616 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2ncncc2Br)C1 ZINC000284673420 415597021 /nfs/dbraw/zinc/59/70/21/415597021.db2.gz WSFFLVSEPHBESQ-JTQLQIEISA-N 0 0 311.143 0.455 10 0 DCAERN C[N@@H+]1CCN(c2ncccc2C(=O)[O-])C[C@@]12CCNC(=O)CC2 ZINC000107676457 415671790 /nfs/dbraw/zinc/67/17/90/415671790.db2.gz NOEZTXMVKVPUTE-MRXNPFEDSA-N 0 0 318.377 0.571 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)n(C)n1 ZINC000333546679 415678012 /nfs/dbraw/zinc/67/80/12/415678012.db2.gz OQWNBVQLGMMELC-ZIBATOQPSA-N 0 0 321.381 0.046 10 0 DCAERN O=C(Nc1ccc(C2CC2)nn1)N1CCN(C(=O)C2CC2)C1 ZINC000333580318 415687890 /nfs/dbraw/zinc/68/78/90/415687890.db2.gz UDCSFWOCIGZFQH-UHFFFAOYSA-N 0 0 301.350 1.398 10 0 DCAERN CN1CCC[C@@H](C(=O)N2CC[C@@H](Oc3ccccn3)C2)C1=O ZINC000333605116 415696009 /nfs/dbraw/zinc/69/60/09/415696009.db2.gz VTAMVGLAPPJRJP-CHWSQXEVSA-N 0 0 303.362 0.930 10 0 DCAERN CC[C@@H]1COCCN1C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000115301867 415723682 /nfs/dbraw/zinc/72/36/82/415723682.db2.gz CJUHZCNBCFBYRN-GFCCVEGCSA-N 0 0 303.366 0.921 10 0 DCAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCOC)CC2)n1 ZINC000112130396 415704659 /nfs/dbraw/zinc/70/46/59/415704659.db2.gz DVPZGUHLPQJPLD-NSHDSACASA-N 0 0 311.386 0.667 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC000112214038 415709089 /nfs/dbraw/zinc/70/90/89/415709089.db2.gz FFKNJTNKLAFXGE-NWDGAFQWSA-N 0 0 305.444 0.545 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112657738 415711198 /nfs/dbraw/zinc/71/11/98/415711198.db2.gz HFDDYYDPHUBEMX-JTQLQIEISA-N 0 0 312.333 0.052 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1C ZINC000119025688 415736148 /nfs/dbraw/zinc/73/61/48/415736148.db2.gz MMGJCGOPWRGBAO-GFCCVEGCSA-N 0 0 322.409 0.307 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@H]1CCc3ncnn3C1)c2O ZINC000119247957 415738939 /nfs/dbraw/zinc/73/89/39/415738939.db2.gz YHKAVCGPYNEASQ-QMMMGPOBSA-N 0 0 313.321 0.010 10 0 DCAERN CCN(CCCNC(=O)CCc1ccnn1C)S(C)(=O)=O ZINC000120404856 415766197 /nfs/dbraw/zinc/76/61/97/415766197.db2.gz GGCZMYCMVZYIMK-UHFFFAOYSA-N 0 0 316.427 0.141 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)C(C)C ZINC000119693399 415751379 /nfs/dbraw/zinc/75/13/79/415751379.db2.gz WHMPNBISUZRPTQ-LBPRGKRZSA-N 0 0 304.354 0.909 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@@H](C)COC)CCN1C[C@@H](C)O ZINC000122721526 415834568 /nfs/dbraw/zinc/83/45/68/415834568.db2.gz LEKMNWURIXAYRU-FRRDWIJNSA-N 0 0 308.444 0.128 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000123224725 415840410 /nfs/dbraw/zinc/84/04/10/415840410.db2.gz ACGVBJBPZBPHLX-CYBMUJFWSA-N 0 0 305.444 0.106 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000124217392 415848924 /nfs/dbraw/zinc/84/89/24/415848924.db2.gz HBOMXECNXNMEMU-IONNQARKSA-N 0 0 310.379 0.502 10 0 DCAERN O=C(NC[C@@H](O)c1ccsc1)N[C@H]1CCc2ncnn2C1 ZINC000120666867 415779823 /nfs/dbraw/zinc/77/98/23/415779823.db2.gz UVJQZLVIYNLBCP-WDEREUQCSA-N 0 0 307.379 0.687 10 0 DCAERN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000124109118 415850506 /nfs/dbraw/zinc/85/05/06/415850506.db2.gz KNNFEQMCCZIRNB-UWVGGRQHSA-N 0 0 312.391 0.892 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000121533282 415807424 /nfs/dbraw/zinc/80/74/24/415807424.db2.gz WIWINVXOMUBCJY-UHFFFAOYSA-N 0 0 318.333 0.857 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)cn1C ZINC000121790500 415817901 /nfs/dbraw/zinc/81/79/01/415817901.db2.gz QGNNPDKDFFLOJZ-SECBINFHSA-N 0 0 324.410 0.696 10 0 DCAERN Cc1ccccc1-c1nc(Cn2nc(C(N)=O)ccc2=O)no1 ZINC000127705528 415889333 /nfs/dbraw/zinc/88/93/33/415889333.db2.gz OAAXXWAXUYVWCV-UHFFFAOYSA-N 0 0 311.301 0.749 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(CC(F)F)CC2)CCC1=O ZINC000128808370 415902732 /nfs/dbraw/zinc/90/27/32/415902732.db2.gz BVNCGGGMBACLBP-SNVBAGLBSA-N 0 0 304.341 0.200 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2(CO)CCOCC2)C1 ZINC000129421703 415905866 /nfs/dbraw/zinc/90/58/66/415905866.db2.gz UXSTZHMNJCQXKW-LBPRGKRZSA-N 0 0 306.428 0.342 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130031850 415915958 /nfs/dbraw/zinc/91/59/58/415915958.db2.gz GTPKNWYHQSJHKY-STQMWFEESA-N 0 0 320.455 0.930 10 0 DCAERN CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000130419536 415917528 /nfs/dbraw/zinc/91/75/28/415917528.db2.gz OEUBJBKIUDNJAX-NSHDSACASA-N 0 0 307.350 0.682 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCOC3(CCC3)C2)cc1 ZINC000133727114 415948724 /nfs/dbraw/zinc/94/87/24/415948724.db2.gz NIAVJZCAETYVJN-UHFFFAOYSA-N 0 0 324.402 0.990 10 0 DCAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)on1 ZINC000134369420 415955288 /nfs/dbraw/zinc/95/52/88/415955288.db2.gz HYXODGIXEOVZEA-GXTWGEPZSA-N 0 0 308.382 0.988 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000134269805 415956336 /nfs/dbraw/zinc/95/63/36/415956336.db2.gz OVRZZKAZGISECT-CYBMUJFWSA-N 0 0 317.349 0.210 10 0 DCAERN CN1C(=O)C[C@H](C(=O)Nc2nn[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000135109642 415957514 /nfs/dbraw/zinc/95/75/14/415957514.db2.gz NIRXJZQBTBJEEE-ONGXEEELSA-N 0 0 304.285 0.497 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000153100734 415974902 /nfs/dbraw/zinc/97/49/02/415974902.db2.gz WCMZBHIYTLNRQY-GOEBONIOSA-N 0 0 322.405 0.089 10 0 DCAERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCN(CCO)CC2)s1 ZINC000154909274 415991910 /nfs/dbraw/zinc/99/19/10/415991910.db2.gz BQSXOOLDHCLJRO-NSHDSACASA-N 0 0 313.423 0.909 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000298093695 415991890 /nfs/dbraw/zinc/99/18/90/415991890.db2.gz ODQYLHRUJCLRDC-UHFFFAOYSA-N 0 0 319.386 0.952 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000154998058 415992570 /nfs/dbraw/zinc/99/25/70/415992570.db2.gz RXUKDAXSYYFVDZ-NSHDSACASA-N 0 0 306.370 0.675 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000155227843 415995605 /nfs/dbraw/zinc/99/56/05/415995605.db2.gz ARQDBLFAPSFFCM-ZDUSSCGKSA-N 0 0 324.402 0.500 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000156896083 415998555 /nfs/dbraw/zinc/99/85/55/415998555.db2.gz NDDATHDSBDRJJH-JQWIXIFHSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1cccc(F)c1 ZINC000132762854 415934771 /nfs/dbraw/zinc/93/47/71/415934771.db2.gz MGEHXTPDYAKMSY-WFASDCNBSA-N 0 0 310.369 0.739 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@@H]1O)CC2 ZINC000172607837 416046796 /nfs/dbraw/zinc/04/67/96/416046796.db2.gz DTZWBHTYZXWRDH-WOPDTQHZSA-N 0 0 307.398 0.929 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000172814808 416047388 /nfs/dbraw/zinc/04/73/88/416047388.db2.gz BYNSWMDGHYYTSB-HUUCEWRRSA-N 0 0 317.389 0.629 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000173011892 416050494 /nfs/dbraw/zinc/05/04/94/416050494.db2.gz GGFYVNORYQRIBI-CHWSQXEVSA-N 0 0 305.444 0.366 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000173268340 416055783 /nfs/dbraw/zinc/05/57/83/416055783.db2.gz QGGJHKZFXYVETN-NOZJJQNGSA-N 0 0 307.398 0.498 10 0 DCAERN CC(C)c1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)n(C)n1 ZINC000173449050 416058271 /nfs/dbraw/zinc/05/82/71/416058271.db2.gz BGSITTVAUQABLQ-UHFFFAOYSA-N 0 0 305.338 0.193 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)[nH]1 ZINC000173738963 416064802 /nfs/dbraw/zinc/06/48/02/416064802.db2.gz HBMVOCXMEGCTPN-SNVBAGLBSA-N 0 0 317.415 0.325 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173840050 416065000 /nfs/dbraw/zinc/06/50/00/416065000.db2.gz GMLVWQPHRVXCHG-AWEZNQCLSA-N 0 0 322.409 0.950 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173782986 416065251 /nfs/dbraw/zinc/06/52/51/416065251.db2.gz MFSRIZDJFWPCHR-ZDUSSCGKSA-N 0 0 312.414 0.017 10 0 DCAERN O=C(Cc1cccc(O)c1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000357364437 416067337 /nfs/dbraw/zinc/06/73/37/416067337.db2.gz MRHUIZDFGYLUCG-MEDUHNTESA-N 0 0 317.345 0.429 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173867100 416067993 /nfs/dbraw/zinc/06/79/93/416067993.db2.gz GKQMSRSTEXTENJ-RBSFLKMASA-N 0 0 314.426 0.607 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173869211 416068590 /nfs/dbraw/zinc/06/85/90/416068590.db2.gz GHANPIMNTYKAFI-QEJZJMRPSA-N 0 0 309.410 0.176 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174009991 416071836 /nfs/dbraw/zinc/07/18/36/416071836.db2.gz YZTWTYISVCKRLX-LBPRGKRZSA-N 0 0 321.352 0.697 10 0 DCAERN O=C(NCc1cc[nH]n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000174056866 416072360 /nfs/dbraw/zinc/07/23/60/416072360.db2.gz XETWVHWYTUYKDJ-CQSZACIVSA-N 0 0 307.398 0.806 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000158782328 416003619 /nfs/dbraw/zinc/00/36/19/416003619.db2.gz XTJJUHUIEHOZKW-MNOVXSKESA-N 0 0 315.391 0.910 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000158988676 416004846 /nfs/dbraw/zinc/00/48/46/416004846.db2.gz YXEUDJLAPBUZQJ-ZBFHGGJFSA-N 0 0 320.414 0.858 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2CCSCC2)C1 ZINC000356957296 416011681 /nfs/dbraw/zinc/01/16/81/416011681.db2.gz HFUYHEKMWUIEDI-VXGBXAGGSA-N 0 0 300.424 0.930 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000337844066 416015012 /nfs/dbraw/zinc/01/50/12/416015012.db2.gz HBUAAEVRTXYLJD-GFCCVEGCSA-N 0 0 321.421 0.905 10 0 DCAERN COc1cccc([C@@H]2CN(CC(=O)N3CCOCC3)CCO2)c1 ZINC000167579711 416023104 /nfs/dbraw/zinc/02/31/04/416023104.db2.gz MFGIPCKAKPDLMS-INIZCTEOSA-N 0 0 320.389 0.927 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174701794 416083508 /nfs/dbraw/zinc/08/35/08/416083508.db2.gz WZCMIMAVZJGFGH-LBPRGKRZSA-N 0 0 322.413 0.213 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301497122 416084629 /nfs/dbraw/zinc/08/46/29/416084629.db2.gz CRFHFNFIVXFMOH-NSHDSACASA-N 0 0 319.409 0.953 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000174774646 416086216 /nfs/dbraw/zinc/08/62/16/416086216.db2.gz WITVAGLIPZHJBH-UHFFFAOYSA-N 0 0 310.785 0.862 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368649 416086714 /nfs/dbraw/zinc/08/67/14/416086714.db2.gz HLCJAODPFPWGKP-BHYGNILZSA-N 0 0 321.373 0.729 10 0 DCAERN CCOC(=O)C1CCC(NC(=O)N(C)Cc2nnnn2C)CC1 ZINC000357513131 416091110 /nfs/dbraw/zinc/09/11/10/416091110.db2.gz CVSPFGBJRCECQW-UHFFFAOYSA-N 0 0 324.385 0.473 10 0 DCAERN COC[C@H](C)CS(=O)(=O)NC[C@H](CO)c1ccccc1 ZINC000357541663 416094119 /nfs/dbraw/zinc/09/41/19/416094119.db2.gz JFJVWQQVWGHCBF-GXTWGEPZSA-N 0 0 301.408 0.964 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000175315513 416102944 /nfs/dbraw/zinc/10/29/44/416102944.db2.gz QSMLDRFUDRQSGP-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000175493899 416107627 /nfs/dbraw/zinc/10/76/27/416107627.db2.gz HSMMAZXWFFRVRE-GHMZBOCLSA-N 0 0 304.412 0.630 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175495001 416107869 /nfs/dbraw/zinc/10/78/69/416107869.db2.gz FJCIPFRPQYSFTL-CYBMUJFWSA-N 0 0 302.382 0.699 10 0 DCAERN Cc1nc(CNC(=O)Nc2cccnc2N2CCOCC2)no1 ZINC000175514850 416108969 /nfs/dbraw/zinc/10/89/69/416108969.db2.gz RPTXTVINKGDLHX-UHFFFAOYSA-N 0 0 318.337 0.931 10 0 DCAERN O=S(=O)(c1ccc(F)cc1F)N1CCC[C@@](O)(CO)C1 ZINC000313662493 416109471 /nfs/dbraw/zinc/10/94/71/416109471.db2.gz KTMPFFUDLYAFIY-LBPRGKRZSA-N 0 0 307.318 0.473 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000175513575 416109488 /nfs/dbraw/zinc/10/94/88/416109488.db2.gz OXYVNFJNZPCMSE-OAHLLOKOSA-N 0 0 321.425 0.698 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NC3CCOCC3)C2)cn1 ZINC000175567452 416111416 /nfs/dbraw/zinc/11/14/16/416111416.db2.gz WOPVVBNTPCTBCN-CYBMUJFWSA-N 0 0 307.398 0.867 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC000357661661 416113705 /nfs/dbraw/zinc/11/37/05/416113705.db2.gz VPTQVKWQIWVXTF-DGCLKSJQSA-N 0 0 310.398 0.258 10 0 DCAERN Cc1nnc([C@H]2CN(c3cc(=O)n4ccccc4n3)CCO2)[nH]1 ZINC000175776453 416115066 /nfs/dbraw/zinc/11/50/66/416115066.db2.gz BXQZPXLEZKFIHW-LLVKDONJSA-N 0 0 312.333 0.699 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)NC(C)(C)C ZINC000176223106 416121562 /nfs/dbraw/zinc/12/15/62/416121562.db2.gz QNRVIHWSIUKLHU-JTQLQIEISA-N 0 0 322.413 0.889 10 0 DCAERN O=C(NCCO)c1ccc(N[C@@H]2CCCC23CCOCC3)nn1 ZINC000328633282 416125038 /nfs/dbraw/zinc/12/50/38/416125038.db2.gz AWZPVMQAHJTMDA-CYBMUJFWSA-N 0 0 320.393 0.960 10 0 DCAERN Cc1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c(C)n1 ZINC000176486283 416128313 /nfs/dbraw/zinc/12/83/13/416128313.db2.gz PFIQNNNNCOKXJL-MRXNPFEDSA-N 0 0 307.394 0.511 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 ZINC000176606023 416129656 /nfs/dbraw/zinc/12/96/56/416129656.db2.gz IQDFIJVLZCGYOF-ZDUSSCGKSA-N 0 0 320.393 0.441 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000176652730 416130918 /nfs/dbraw/zinc/13/09/18/416130918.db2.gz LIBZIRUYXAQZDS-GFCCVEGCSA-N 0 0 307.398 0.610 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccc(C(N)=O)o2)C[C@@H]1C ZINC000176641313 416130943 /nfs/dbraw/zinc/13/09/43/416130943.db2.gz CNTUVKYUWHUOEF-NSHDSACASA-N 0 0 324.381 0.241 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc3n[nH]nc3c1)c2=O ZINC000176731648 416133135 /nfs/dbraw/zinc/13/31/35/416133135.db2.gz SKNIMGGUIYJERO-UHFFFAOYSA-N 0 0 324.304 0.040 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000345680601 416134162 /nfs/dbraw/zinc/13/41/62/416134162.db2.gz FQXBYMBSMDDIKQ-GJZGRUSLSA-N 0 0 307.394 0.776 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000176805381 416134496 /nfs/dbraw/zinc/13/44/96/416134496.db2.gz ZFROMYINARFEEC-ZJUUUORDSA-N 0 0 318.420 0.724 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176992616 416137838 /nfs/dbraw/zinc/13/78/38/416137838.db2.gz GWMBQGIHHXDEJA-STQMWFEESA-N 0 0 305.444 0.224 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)CCO1 ZINC000357853217 416141441 /nfs/dbraw/zinc/14/14/41/416141441.db2.gz OVDPSUODLVWLOB-QMMMGPOBSA-N 0 0 318.782 0.848 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000177531420 416148137 /nfs/dbraw/zinc/14/81/37/416148137.db2.gz NDZVSGNCLAJSJR-GHMZBOCLSA-N 0 0 307.350 0.023 10 0 DCAERN COCCCOC1CN(C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC000177531329 416148811 /nfs/dbraw/zinc/14/88/11/416148811.db2.gz RZNRITJGFRYOKY-UHFFFAOYSA-N 0 0 319.365 0.619 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091848 416150301 /nfs/dbraw/zinc/15/03/01/416150301.db2.gz XBNKWYGFJXCCDB-OLZOCXBDSA-N 0 0 308.430 0.723 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000177828233 416152999 /nfs/dbraw/zinc/15/29/99/416152999.db2.gz JVRGPDFQIGYSJN-UHFFFAOYSA-N 0 0 317.330 0.858 10 0 DCAERN C[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177927723 416154023 /nfs/dbraw/zinc/15/40/23/416154023.db2.gz RRFGMIHUNPEWDM-OAHLLOKOSA-N 0 0 316.317 0.658 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178698107 416169623 /nfs/dbraw/zinc/16/96/23/416169623.db2.gz VTYKAHGIMSVYIH-ZBFHGGJFSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(C)C ZINC000178725803 416171385 /nfs/dbraw/zinc/17/13/85/416171385.db2.gz LLRWGMQNYMFVKI-LLVKDONJSA-N 0 0 304.412 0.088 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000182839328 416233240 /nfs/dbraw/zinc/23/32/40/416233240.db2.gz RGLCZFPIBTZNTH-OAHLLOKOSA-N 0 0 304.350 0.989 10 0 DCAERN Cc1csc([C@@H]2COCCN2C(=O)[C@H]2CCC(=O)N2C)n1 ZINC000329525160 416174587 /nfs/dbraw/zinc/17/45/87/416174587.db2.gz SNLYTJCEBZTUSC-MNOVXSKESA-N 0 0 309.391 0.972 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000178913773 416175442 /nfs/dbraw/zinc/17/54/42/416175442.db2.gz UJUOIJJEYFEQOB-TZMCWYRMSA-N 0 0 324.402 0.975 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccccc1OC)C(C)C ZINC000178926550 416177386 /nfs/dbraw/zinc/17/73/86/416177386.db2.gz UCCCRDAFKRFZHG-LBPRGKRZSA-N 0 0 300.380 0.744 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000179015152 416181522 /nfs/dbraw/zinc/18/15/22/416181522.db2.gz OBWKFVPSVYVKRF-PBWFPOADSA-N 0 0 311.426 0.951 10 0 DCAERN O=C(/C=C/c1ccnc(Cl)c1)NC[C@@H]1CN2CCN1CC2 ZINC000179101065 416182895 /nfs/dbraw/zinc/18/28/95/416182895.db2.gz CROTZQOGHVTDRD-ZIYVKSGCSA-N 0 0 306.797 0.864 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179167453 416183580 /nfs/dbraw/zinc/18/35/80/416183580.db2.gz BREHEVYMAPORON-LRDDRELGSA-N 0 0 320.393 0.821 10 0 DCAERN CN1C(=O)NC2(CCN(Cc3cn4ccsc4n3)CC2)C1=O ZINC000179437977 416185932 /nfs/dbraw/zinc/18/59/32/416185932.db2.gz HGGHNNWVPIDURF-UHFFFAOYSA-N 0 0 319.390 0.912 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC000179484251 416188723 /nfs/dbraw/zinc/18/87/23/416188723.db2.gz KRYZNDNGHMRCQC-GFCCVEGCSA-N 0 0 318.381 0.296 10 0 DCAERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000183022864 416233770 /nfs/dbraw/zinc/23/37/70/416233770.db2.gz PLNFMELSTFCHTH-XQQFMLRXSA-N 0 0 307.398 0.785 10 0 DCAERN CCCn1cc(CN(CCN2CCOCC2)CC(=O)OC)cn1 ZINC000179587615 416190904 /nfs/dbraw/zinc/19/09/04/416190904.db2.gz XOUZXJVXNALGFZ-UHFFFAOYSA-N 0 0 324.425 0.600 10 0 DCAERN CC(C)OCCNC(=O)NCc1cccnc1-n1cncn1 ZINC000183036649 416234032 /nfs/dbraw/zinc/23/40/32/416234032.db2.gz YEADAMCCJMYLQY-UHFFFAOYSA-N 0 0 304.354 0.887 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000180992128 416202858 /nfs/dbraw/zinc/20/28/58/416202858.db2.gz WYKPJVHNGDQLHS-ZDUSSCGKSA-N 0 0 317.345 0.884 10 0 DCAERN COCc1ccsc1C(=O)NCCS(=O)(=O)NC(C)C ZINC000181142387 416204439 /nfs/dbraw/zinc/20/44/39/416204439.db2.gz DNMYQRRNTGTDCF-UHFFFAOYSA-N 0 0 320.436 0.952 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181354835 416205741 /nfs/dbraw/zinc/20/57/41/416205741.db2.gz ZMUJFQITKXXWOW-ZJUUUORDSA-N 0 0 300.384 0.539 10 0 DCAERN CCOC(=O)NCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181414996 416208236 /nfs/dbraw/zinc/20/82/36/416208236.db2.gz UKFXZKOJBWNTOO-LBPRGKRZSA-N 0 0 309.370 0.029 10 0 DCAERN COC(=O)C1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CC1 ZINC000341525681 416212378 /nfs/dbraw/zinc/21/23/78/416212378.db2.gz MFIURNYDIYJZCX-PQAZSJQKSA-N 0 0 310.394 0.507 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)NC(N)=O)ccc1N1CCOCC1 ZINC000182244309 416215236 /nfs/dbraw/zinc/21/52/36/416215236.db2.gz DBYXRALCYQBTCS-LLVKDONJSA-N 0 0 306.366 0.827 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000341619051 416215784 /nfs/dbraw/zinc/21/57/84/416215784.db2.gz GRCOPVIDOHAJIF-GHMZBOCLSA-N 0 0 306.384 0.027 10 0 DCAERN Cc1nc(N)nc(C)c1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000358243488 416217333 /nfs/dbraw/zinc/21/73/33/416217333.db2.gz ZRNXYFSWQVMENX-INIZCTEOSA-N 0 0 320.393 1.086 10 0 DCAERN COc1n[nH]c(NC(=O)c2csc(-c3cnccn3)n2)n1 ZINC000183010981 416234718 /nfs/dbraw/zinc/23/47/18/416234718.db2.gz QMBUVXWTBQTDKF-UHFFFAOYSA-N 0 0 303.307 0.979 10 0 DCAERN C[C@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182535294 416226801 /nfs/dbraw/zinc/22/68/01/416226801.db2.gz ANPAQGRMRGSMIZ-JSGCOSHPSA-N 0 0 320.393 0.989 10 0 DCAERN CN(CC(=O)Nc1ncn(C2CCCCC2)n1)S(C)(=O)=O ZINC000182680127 416227973 /nfs/dbraw/zinc/22/79/73/416227973.db2.gz VBAHKJVOKPSYCJ-UHFFFAOYSA-N 0 0 315.399 0.613 10 0 DCAERN Cc1csc2ncc(C(=O)NC[C@@H](CO)C3CC3)c(=O)n12 ZINC000358355171 416228035 /nfs/dbraw/zinc/22/80/35/416228035.db2.gz PYHZLPGEVABZKT-JTQLQIEISA-N 0 0 307.375 0.813 10 0 DCAERN Cc1ccc(CNC(=O)NCC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000358364420 416229869 /nfs/dbraw/zinc/22/98/69/416229869.db2.gz YXDKHKLXVMJZPK-HNNXBMFYSA-N 0 0 319.405 0.929 10 0 DCAERN Cc1nnc([C@H]2CN(Cc3ncnn3CC(C)C)CCO2)[nH]1 ZINC000182814258 416231731 /nfs/dbraw/zinc/23/17/31/416231731.db2.gz CNUWPKBFOXYHNQ-GFCCVEGCSA-N 0 0 305.386 0.934 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N[C@@](C)(CCO)COC)CC1=O ZINC000182822229 416231905 /nfs/dbraw/zinc/23/19/05/416231905.db2.gz ROKKRDIEEAPHHV-WBMJQRKESA-N 0 0 314.426 0.927 10 0 DCAERN CC(C)COC[C@@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000178367055 416162812 /nfs/dbraw/zinc/16/28/12/416162812.db2.gz HJPXCSDDPUOQLI-KGLIPLIRSA-N 0 0 324.425 0.883 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183431357 416242096 /nfs/dbraw/zinc/24/20/96/416242096.db2.gz LBHOZTLPHZLLMN-GFCCVEGCSA-N 0 0 309.414 0.779 10 0 DCAERN O=C(NC(CO)CO)c1[nH]nc2ccc(Br)cc21 ZINC000183620357 416246091 /nfs/dbraw/zinc/24/60/91/416246091.db2.gz FXTGSLVVYRTLTI-UHFFFAOYSA-N 0 0 314.139 0.408 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)Cc3noc(C)n3)C2=O)n(C)n1 ZINC000183710021 416248813 /nfs/dbraw/zinc/24/88/13/416248813.db2.gz QGFOVEDORUHWRV-NSHDSACASA-N 0 0 304.354 0.657 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000184689998 416252450 /nfs/dbraw/zinc/25/24/50/416252450.db2.gz CFNFPRBXMGBSFX-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000358539480 416253440 /nfs/dbraw/zinc/25/34/40/416253440.db2.gz FWMMGNUJQBJBEM-STQMWFEESA-N 0 0 323.437 0.914 10 0 DCAERN CN(C)c1noc(CCNS(=O)(=O)c2ccccc2F)n1 ZINC000358574450 416256084 /nfs/dbraw/zinc/25/60/84/416256084.db2.gz HWNMFTLGVRJEGE-UHFFFAOYSA-N 0 0 314.342 0.796 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189416841 416266154 /nfs/dbraw/zinc/26/61/54/416266154.db2.gz CEDMTLNWCFKVIJ-NRFANRHFSA-N 0 0 306.387 0.775 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN(CC(N)=O)CC1 ZINC000189507298 416266160 /nfs/dbraw/zinc/26/61/60/416266160.db2.gz ZVPQBOHCSHIDKH-UHFFFAOYSA-N 0 0 311.411 0.079 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(C(N)=O)cn1C ZINC000189760997 416270277 /nfs/dbraw/zinc/27/02/77/416270277.db2.gz ASKLFQHRDUWONH-VIFPVBQESA-N 0 0 307.272 0.509 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)NCCNC(=O)C1CC1 ZINC000189696807 416270308 /nfs/dbraw/zinc/27/03/08/416270308.db2.gz VYQRIZMIZKIIIO-SNVBAGLBSA-N 0 0 306.366 0.977 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC1(CO)CC1)C(=O)OC ZINC000190042869 416273488 /nfs/dbraw/zinc/27/34/88/416273488.db2.gz MTANXTUCVZGLOC-YPMHNXCESA-N 0 0 300.399 0.395 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000331159046 416275704 /nfs/dbraw/zinc/27/57/04/416275704.db2.gz JZDVCTNZEDRUNH-SSDOTTSWSA-N 0 0 320.296 1.355 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000190149779 416276587 /nfs/dbraw/zinc/27/65/87/416276587.db2.gz JUAIYXXSDPTUPU-GHMZBOCLSA-N 0 0 310.398 0.306 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)ncn1 ZINC000190270286 416277567 /nfs/dbraw/zinc/27/75/67/416277567.db2.gz ZROMJPNZZPUOIP-STQMWFEESA-N 0 0 320.393 0.949 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N(C)CC(=O)N(C)C ZINC000183232952 416238008 /nfs/dbraw/zinc/23/80/08/416238008.db2.gz DUGYHKMPGUHGRV-UHFFFAOYSA-N 0 0 305.338 0.137 10 0 DCAERN COCCC1(C)CN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000358816867 416277669 /nfs/dbraw/zinc/27/76/69/416277669.db2.gz XYLLIOIDLBCZNF-LLVKDONJSA-N 0 0 304.412 0.632 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCC[C@H](C)O)c1 ZINC000359125494 416307036 /nfs/dbraw/zinc/30/70/36/416307036.db2.gz LRLZKBUJRWMQJY-VIFPVBQESA-N 0 0 301.368 0.487 10 0 DCAERN NC(=O)C1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000192610675 416308909 /nfs/dbraw/zinc/30/89/09/416308909.db2.gz HYKHWPUYQOUEIE-UHFFFAOYSA-N 0 0 314.345 0.830 10 0 DCAERN CN(C)c1noc(CN2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000192689863 416309322 /nfs/dbraw/zinc/30/93/22/416309322.db2.gz FUPDTMRNATXRKN-UHFFFAOYSA-N 0 0 307.398 0.970 10 0 DCAERN C[C@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)C(=O)N(C)C ZINC000193252899 416314434 /nfs/dbraw/zinc/31/44/34/416314434.db2.gz GHZJEFGOJXZXCZ-CMPLNLGQSA-N 0 0 318.377 0.888 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1cccc(C)c1 ZINC000193365364 416315510 /nfs/dbraw/zinc/31/55/10/416315510.db2.gz XXRUFWVNVXBUAP-JGGQBBKZSA-N 0 0 320.389 0.860 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000194004467 416320549 /nfs/dbraw/zinc/32/05/49/416320549.db2.gz PGFXRZPMOLMPLW-DGCLKSJQSA-N 0 0 318.377 0.629 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000194004456 416321382 /nfs/dbraw/zinc/32/13/82/416321382.db2.gz PGFXRZPMOLMPLW-AAEUAGOBSA-N 0 0 318.377 0.629 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190774013 416280854 /nfs/dbraw/zinc/28/08/54/416280854.db2.gz AUDXZOKGPXAJKO-NEPJUHHUSA-N 0 0 302.330 0.734 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCC1CC(F)(F)C1 ZINC000358832244 416281574 /nfs/dbraw/zinc/28/15/74/416281574.db2.gz BDSFIBAKEGKNIA-ZDUSSCGKSA-N 0 0 300.305 0.761 10 0 DCAERN CN(CC(=O)NC(C)(C)C)Cc1nnnn1CC(F)(F)F ZINC000190807115 416283190 /nfs/dbraw/zinc/28/31/90/416283190.db2.gz QHTRMEFKAWSSQG-UHFFFAOYSA-N 0 0 308.308 0.582 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000358855435 416284888 /nfs/dbraw/zinc/28/48/88/416284888.db2.gz PPYRPVDJQXMVSO-IGQOVBAYSA-N 0 0 324.421 0.944 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCC[C@H]2CO)n2ncnc2n1 ZINC000191054895 416285574 /nfs/dbraw/zinc/28/55/74/416285574.db2.gz XLPQUDITDXOYSY-NEPJUHHUSA-N 0 0 318.381 0.047 10 0 DCAERN CC(=O)NC1CN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000191731669 416288842 /nfs/dbraw/zinc/28/88/42/416288842.db2.gz RJFZIFOWBSXNOL-OAHLLOKOSA-N 0 0 306.362 0.449 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)cn1 ZINC000191770107 416289122 /nfs/dbraw/zinc/28/91/22/416289122.db2.gz NXDXPEYOBXVLSQ-ZDUSSCGKSA-N 0 0 319.365 0.411 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@H]2C[C@@H]2C)n1 ZINC000192009824 416294458 /nfs/dbraw/zinc/29/44/58/416294458.db2.gz WMDFKPCXUBRACD-KWQFWETISA-N 0 0 314.349 0.742 10 0 DCAERN Cc1c(C(=O)NC[C@@H](CO)C2CC2)nnn1Cc1ccncc1 ZINC000359779869 416358454 /nfs/dbraw/zinc/35/84/54/416358454.db2.gz ZSYXCOKABZAEOM-AWEZNQCLSA-N 0 0 315.377 0.778 10 0 DCAERN Cc1nsc(N2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)n1 ZINC000263168153 416337471 /nfs/dbraw/zinc/33/74/71/416337471.db2.gz FJSZVMUVXZLWEC-SECBINFHSA-N 0 0 317.365 0.492 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000359480350 416347676 /nfs/dbraw/zinc/34/76/76/416347676.db2.gz JZUAWGWMSBTLIG-SCZZXKLOSA-N 0 0 307.354 0.710 10 0 DCAERN CCN1CCN(c2ccc(C(=O)NCC(=O)NC)cc2F)CC1 ZINC000194392875 416322807 /nfs/dbraw/zinc/32/28/07/416322807.db2.gz MSDIFBPSEUHEBI-UHFFFAOYSA-N 0 0 322.384 0.443 10 0 DCAERN CCn1c(CCNC(=O)[C@H]2CNC(=O)C2)nc2ccccc21 ZINC000194883856 416324866 /nfs/dbraw/zinc/32/48/66/416324866.db2.gz TVBWWLSLVQRQIN-LLVKDONJSA-N 0 0 300.362 0.851 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000195083024 416325023 /nfs/dbraw/zinc/32/50/23/416325023.db2.gz WBOJFLHKANQDGA-ZDUSSCGKSA-N 0 0 306.414 0.992 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1F ZINC000195487517 416326487 /nfs/dbraw/zinc/32/64/87/416326487.db2.gz IZDDAUCGJIDAHA-TVQRCGJNSA-N 0 0 321.352 0.967 10 0 DCAERN O[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc3nnnn3n2)C1 ZINC000225647467 416327769 /nfs/dbraw/zinc/32/77/69/416327769.db2.gz PSVUCDIDDVVYBD-RYUDHWBXSA-N 0 0 300.297 0.971 10 0 DCAERN O=C([C@H]1COCCN1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000237912570 416329193 /nfs/dbraw/zinc/32/91/93/416329193.db2.gz RCFXPGIHXFAQDB-KGLIPLIRSA-N 0 0 312.316 0.853 10 0 DCAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@H]2COCCN2)CC1 ZINC000238010285 416329601 /nfs/dbraw/zinc/32/96/01/416329601.db2.gz UPDHXLBGTAMDDN-OAHLLOKOSA-N 0 0 317.389 0.350 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)CCc2ncccn2)c1 ZINC000360376541 416387641 /nfs/dbraw/zinc/38/76/41/416387641.db2.gz HIHBBJVFSOTZMG-UHFFFAOYSA-N 0 0 320.374 0.956 10 0 DCAERN COc1c(NC(=O)NC[C@@H](O)C(F)F)cccc1C(N)=O ZINC000360383798 416387797 /nfs/dbraw/zinc/38/77/97/416387797.db2.gz QFBCJFRDFCIMCL-MRVPVSSYSA-N 0 0 303.265 0.542 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC(N)=O)c(C)c1 ZINC000360506592 416393940 /nfs/dbraw/zinc/39/39/40/416393940.db2.gz FZOBHSJBDPYEKW-SECBINFHSA-N 0 0 314.363 0.324 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360700672 416404835 /nfs/dbraw/zinc/40/48/35/416404835.db2.gz MUOPYCLYYJZVLT-NSHDSACASA-N 0 0 323.378 0.135 10 0 DCAERN C[C@H](NC(=O)NCc1ccc2cc[nH]c2n1)C(=O)NCCF ZINC000360717651 416405546 /nfs/dbraw/zinc/40/55/46/416405546.db2.gz ZVXJTEKHENKDHF-VIFPVBQESA-N 0 0 307.329 0.836 10 0 DCAERN CCn1nccc1NC(=O)C(=O)NCC(=O)NC1CCCCC1 ZINC000532996243 416468743 /nfs/dbraw/zinc/46/87/43/416468743.db2.gz WUXRRLZLTJUDEC-UHFFFAOYSA-N 0 0 321.381 0.407 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccccc2OCCO)CC(=O)N1 ZINC000458441116 416469474 /nfs/dbraw/zinc/46/94/74/416469474.db2.gz XVYXRXZIPCTMAW-LLVKDONJSA-N 0 0 307.350 0.088 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCc3ccccc32)n1 ZINC000434405710 416477916 /nfs/dbraw/zinc/47/79/16/416477916.db2.gz UIYXSYHHKWTBBL-UHFFFAOYSA-N 0 0 313.361 1.561 10 0 DCAERN CS[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)C(C)(C)C ZINC000458631774 416484974 /nfs/dbraw/zinc/48/49/74/416484974.db2.gz AYNFYXUYYJVPDT-QWRGUYRKSA-N 0 0 315.443 0.716 10 0 DCAERN CC(C)(C)n1ncc(N2CC[C@H](NC(N)=O)C2)c(Cl)c1=O ZINC000535685305 416523910 /nfs/dbraw/zinc/52/39/10/416523910.db2.gz HPGYNIKLMIIRPP-QMMMGPOBSA-N 0 0 313.789 0.899 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC000535713645 416525937 /nfs/dbraw/zinc/52/59/37/416525937.db2.gz IOWUKLHIILIMBD-SNVBAGLBSA-N 0 0 300.322 0.355 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(CC(=O)NCC3CC3)CCO2)n1 ZINC000591902315 416535931 /nfs/dbraw/zinc/53/59/31/416535931.db2.gz UMNUYEYOXIAVMI-AWEZNQCLSA-N 0 0 307.398 0.122 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)Nc2ccn(C(C)C)n2)s1 ZINC000361830880 416504651 /nfs/dbraw/zinc/50/46/51/416504651.db2.gz SNIYHBIGVMSTDI-UHFFFAOYSA-N 0 0 307.379 1.484 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NCCNc1cnccn1 ZINC000435184518 416512007 /nfs/dbraw/zinc/51/20/07/416512007.db2.gz CSZSEQKJLDSJRE-UHFFFAOYSA-N 0 0 303.370 1.567 10 0 DCAERN Cn1ccc(CNC(=O)NCc2n[nH]cc2Br)n1 ZINC000535022802 416514094 /nfs/dbraw/zinc/51/40/94/416514094.db2.gz VUXLMEZXCGJGGP-UHFFFAOYSA-N 0 0 313.159 0.905 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)N(CCO)CCO ZINC000535062385 416515516 /nfs/dbraw/zinc/51/55/16/416515516.db2.gz BWMFJQSMXJRLID-UHFFFAOYSA-N 0 0 309.366 0.342 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC(COC)COC)C1 ZINC000459045514 416519178 /nfs/dbraw/zinc/51/91/78/416519178.db2.gz QWPVGIRLXSGSSV-LLVKDONJSA-N 0 0 301.387 0.348 10 0 DCAERN Cc1nnc(CNC(=O)N2CCSC[C@@H]2CCO)s1 ZINC000540955360 416598742 /nfs/dbraw/zinc/59/87/42/416598742.db2.gz UVQNLWDTPPVHRN-VIFPVBQESA-N 0 0 302.425 0.856 10 0 DCAERN C[C@@H](Cc1ccncc1)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000541809305 416611879 /nfs/dbraw/zinc/61/18/79/416611879.db2.gz BPMAZSAZHKSZJT-DZGCQCFKSA-N 0 0 304.394 0.739 10 0 DCAERN C[C@@H](CN1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076160 416613930 /nfs/dbraw/zinc/61/39/30/416613930.db2.gz XUNZTECICQYMFI-STQMWFEESA-N 0 0 305.440 0.937 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)CO1 ZINC000437290500 416582827 /nfs/dbraw/zinc/58/28/27/416582827.db2.gz JYLXJNPVCQLXOM-UWVGGRQHSA-N 0 0 309.370 0.607 10 0 DCAERN COC[C@@H](NC(=O)Cn1cccnc1=O)c1ccc(F)cc1 ZINC000437399263 416583326 /nfs/dbraw/zinc/58/33/26/416583326.db2.gz ZSNWFDWABATSLQ-CYBMUJFWSA-N 0 0 305.309 0.886 10 0 DCAERN Cc1cc(C(=O)Nc2nncn2C)nn1-c1nc(C)cc(C)n1 ZINC000547665733 416680871 /nfs/dbraw/zinc/68/08/71/416680871.db2.gz PWOFMUZUENGVHI-UHFFFAOYSA-N 0 0 312.337 0.968 10 0 DCAERN Cc1nccc(N2CCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)n1 ZINC000439724494 416620901 /nfs/dbraw/zinc/62/09/01/416620901.db2.gz ZEFFCQGCRSURSR-KBPBESRZSA-N 0 0 304.394 0.985 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2ncnn2CCF)CC1 ZINC000440487639 416636494 /nfs/dbraw/zinc/63/64/94/416636494.db2.gz LMAXNZIFUHSIFS-UHFFFAOYSA-N 0 0 313.377 0.317 10 0 DCAERN CCOC(=O)c1nc(CN2CCN3CCOC[C@H]3C2)cs1 ZINC000543557788 416640932 /nfs/dbraw/zinc/64/09/32/416640932.db2.gz PFFOMRFFNZQGSG-GFCCVEGCSA-N 0 0 311.407 0.836 10 0 DCAERN CCS(=O)(=O)N1CCC(CN[C@@H](C(=O)OC)C2CC2)CC1 ZINC000543658220 416641791 /nfs/dbraw/zinc/64/17/91/416641791.db2.gz XDNFEAYUSNIJHU-CYBMUJFWSA-N 0 0 318.439 0.589 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)n(C)n1 ZINC000440580959 416641979 /nfs/dbraw/zinc/64/19/79/416641979.db2.gz LWUOLYFQJMREPJ-JTQLQIEISA-N 0 0 321.381 0.000 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)[C@@H](C)NC(C)=O)(C(=O)OC)C1(C)C ZINC000440852968 416650778 /nfs/dbraw/zinc/65/07/78/416650778.db2.gz ZDZKKODIJLCISI-XDMRBOTDSA-N 0 0 314.382 0.374 10 0 DCAERN CCOCC1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)CC1 ZINC000440868690 416653052 /nfs/dbraw/zinc/65/30/52/416653052.db2.gz POOUECJGPBJHSY-QWRGUYRKSA-N 0 0 314.382 0.376 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCOC[C@H]2C2CC2)n1 ZINC000440945290 416654220 /nfs/dbraw/zinc/65/42/20/416654220.db2.gz APILGIPNMSZUOX-NSHDSACASA-N 0 0 321.381 0.609 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1nnc2ccccn21 ZINC000441209555 416664154 /nfs/dbraw/zinc/66/41/54/416664154.db2.gz SCXCSMGJWIMICH-NXEZZACHSA-N 0 0 302.338 0.196 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)c2cscn2)C1 ZINC000514670363 416669170 /nfs/dbraw/zinc/66/91/70/416669170.db2.gz OKVWRKQSULTHTO-SNVBAGLBSA-N 0 0 303.409 0.680 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NCCc2cccc(OC)n2)C1 ZINC000441442964 416671452 /nfs/dbraw/zinc/67/14/52/416671452.db2.gz CFWZQNSJBQZEDC-LLVKDONJSA-N 0 0 307.350 0.837 10 0 DCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@H]1CCC(=O)NC1 ZINC000441427429 416671997 /nfs/dbraw/zinc/67/19/97/416671997.db2.gz GXDQBXFUYNAMKD-QMMMGPOBSA-N 0 0 318.299 0.924 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000545308842 416672644 /nfs/dbraw/zinc/67/26/44/416672644.db2.gz OSVUAJPTIBGPTP-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2CC(n3ccnn3)C2)NC1=O ZINC000368605696 416673976 /nfs/dbraw/zinc/67/39/76/416673976.db2.gz UIKYMQPWZRCDCS-VIFPVBQESA-N 0 0 313.317 0.695 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ncsc2Br)C1 ZINC000557667997 416745963 /nfs/dbraw/zinc/74/59/63/416745963.db2.gz RXKKCVWBVZUUKU-UHFFFAOYSA-N 0 0 304.169 0.866 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2cc(C)nn2C)n1 ZINC000442328727 416690412 /nfs/dbraw/zinc/69/04/12/416690412.db2.gz UQPHIPAMXIKKGF-UHFFFAOYSA-N 0 0 317.349 0.430 10 0 DCAERN O=C(CSc1nncs1)N1CCN2CCOC[C@@H]2C1 ZINC000368827671 416699189 /nfs/dbraw/zinc/69/91/89/416699189.db2.gz YWBXZCCBNWXILL-VIFPVBQESA-N 0 0 300.409 0.173 10 0 DCAERN C[C@@H]1CN(CCO)CCN1c1ncc(Br)cn1 ZINC000516394943 416723150 /nfs/dbraw/zinc/72/31/50/416723150.db2.gz TWCQQUJNJRILSF-SECBINFHSA-N 0 0 301.188 0.742 10 0 DCAERN CCCCS(=O)(=O)N1CCC(C(=O)N(C)CCCO)CC1 ZINC000442999545 416724842 /nfs/dbraw/zinc/72/48/42/416724842.db2.gz MJNFYYUVFGJCFD-UHFFFAOYSA-N 0 0 320.455 0.669 10 0 DCAERN CC(=O)N1CCN(C(=O)Cc2cnn3c2CCCC3)[C@@H](C)C1 ZINC000631833242 416756060 /nfs/dbraw/zinc/75/60/60/416756060.db2.gz WENCFRFRMBFBDX-LBPRGKRZSA-N 0 0 304.394 0.841 10 0 DCAERN CC(=O)c1cccc(CNC(=O)[C@H]2CCN=C3C2=NNN3C)c1 ZINC000615121375 416764366 /nfs/dbraw/zinc/76/43/66/416764366.db2.gz IDFJQFVHOKGJKA-ZDUSSCGKSA-N 0 0 313.361 0.730 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1O ZINC000615142097 416771671 /nfs/dbraw/zinc/77/16/71/416771671.db2.gz WSZQADDWTMJKNA-UHFFFAOYSA-N 0 0 318.373 0.999 10 0 DCAERN Cn1cc(OCC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000558576725 416776877 /nfs/dbraw/zinc/77/68/77/416776877.db2.gz NMGDKDLWRVBXCU-HNNXBMFYSA-N 0 0 309.366 0.595 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCN2CCC2)c(C)c1 ZINC000443729605 416778790 /nfs/dbraw/zinc/77/87/90/416778790.db2.gz DOBKTMRSCRIYFS-UHFFFAOYSA-N 0 0 312.391 0.766 10 0 DCAERN CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000443768923 416781417 /nfs/dbraw/zinc/78/14/17/416781417.db2.gz GATLGZCILIKKPY-HNNXBMFYSA-N 0 0 323.397 0.735 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCCS(=O)(=O)CC1 ZINC000369539683 416792141 /nfs/dbraw/zinc/79/21/41/416792141.db2.gz JTIFCMYRJLJQLD-UHFFFAOYSA-N 0 0 321.395 0.943 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](COC)C1)CC2 ZINC000369606420 416801471 /nfs/dbraw/zinc/80/14/71/416801471.db2.gz BAFXDAJJWHTIEW-VXGBXAGGSA-N 0 0 307.398 0.833 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2c1CCC2 ZINC000517467077 416805321 /nfs/dbraw/zinc/80/53/21/416805321.db2.gz ZDGYJGLOYGQPNY-ZJUUUORDSA-N 0 0 306.366 0.834 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000559337498 416810064 /nfs/dbraw/zinc/81/00/64/416810064.db2.gz WKKHEKOQMKTSSZ-CJOPTALJSA-N 0 0 315.395 0.297 10 0 DCAERN Cc1cnc([C@H](C)NC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)s1 ZINC000623698317 416871221 /nfs/dbraw/zinc/87/12/21/416871221.db2.gz YGBSDGGEMRTHOL-UJNFCWOMSA-N 0 0 312.395 0.797 10 0 DCAERN O=C(NCCn1cnnc1)c1ccc(N2CCOCC2)cc1 ZINC000615640484 416875996 /nfs/dbraw/zinc/87/59/96/416875996.db2.gz DQHVKUXADIILOA-UHFFFAOYSA-N 0 0 301.350 0.545 10 0 DCAERN CCOc1cccc(CNC(=O)c2nc(N)nc(N(C)C)n2)c1 ZINC000561153574 416857399 /nfs/dbraw/zinc/85/73/99/416857399.db2.gz JEJRFXSSUYXTEF-UHFFFAOYSA-N 0 0 316.365 0.849 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H](O)Cc1cnn(C)c1)CC2 ZINC000615763884 416903138 /nfs/dbraw/zinc/90/31/38/416903138.db2.gz WQSXOBQFBHHKLZ-STQMWFEESA-N 0 0 321.377 0.125 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cn(C)nc1-c1ccoc1 ZINC000447508534 417004257 /nfs/dbraw/zinc/00/42/57/417004257.db2.gz RJXBZEZSDVYKAE-UHFFFAOYSA-N 0 0 301.310 0.476 10 0 DCAERN CN(Cc1cccnc1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000447895238 417037012 /nfs/dbraw/zinc/03/70/12/417037012.db2.gz ASHUQWACZHLJBX-INIZCTEOSA-N 0 0 301.346 0.653 10 0 DCAERN c1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nn1 ZINC000624443630 417038893 /nfs/dbraw/zinc/03/88/93/417038893.db2.gz LVJYUOUFOVCHJV-UHFFFAOYSA-N 0 0 312.381 0.588 10 0 DCAERN c1cc(-c2nnc(N3CCN(c4nccnn4)CC3)s2)no1 ZINC000624443932 417039315 /nfs/dbraw/zinc/03/93/15/417039315.db2.gz BCQJPLPMFXRLIQ-UHFFFAOYSA-N 0 0 316.350 0.705 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCNc1ccccn1 ZINC000447963494 417052213 /nfs/dbraw/zinc/05/22/13/417052213.db2.gz JZRGCYSCJZDMTJ-MRXNPFEDSA-N 0 0 316.361 0.223 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc2c(cc1F)nc[nH]c2=O ZINC000448136430 417059578 /nfs/dbraw/zinc/05/95/78/417059578.db2.gz FQQOFMSFOCDKCB-UHFFFAOYSA-N 0 0 320.280 0.272 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000448093882 417059758 /nfs/dbraw/zinc/05/97/58/417059758.db2.gz BUVLMIAAJYMRBF-INIZCTEOSA-N 0 0 318.377 0.380 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)N(C)Cc2nnnn2C)c1 ZINC000448163656 417064697 /nfs/dbraw/zinc/06/46/97/417064697.db2.gz IMHHYBKMNFBJMX-UHFFFAOYSA-N 0 0 323.378 0.624 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000448500687 417081898 /nfs/dbraw/zinc/08/18/98/417081898.db2.gz GALXXFURPJHQQK-QWRGUYRKSA-N 0 0 306.366 0.773 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCOC[C@H]1c1nc[nH]n1 ZINC000616597308 417082697 /nfs/dbraw/zinc/08/26/97/417082697.db2.gz DBAFELLSJRDMGE-LBPRGKRZSA-N 0 0 308.363 0.957 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000616610971 417083575 /nfs/dbraw/zinc/08/35/75/417083575.db2.gz OCSDLZUGYFHJED-LLVKDONJSA-N 0 0 304.393 0.476 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1COCCN1S(C)(=O)=O ZINC000616642275 417087300 /nfs/dbraw/zinc/08/73/00/417087300.db2.gz XIPUPOYIGHDGAH-JTQLQIEISA-N 0 0 308.400 0.562 10 0 DCAERN CS(=O)(=O)N1CCOC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616641378 417087704 /nfs/dbraw/zinc/08/77/04/417087704.db2.gz HJBCFSVCULJGSS-NSHDSACASA-N 0 0 305.377 0.078 10 0 DCAERN CC(=O)Nc1ccc([C@@H]2CCOCCN2S(N)(=O)=O)cc1 ZINC000616659899 417088911 /nfs/dbraw/zinc/08/89/11/417088911.db2.gz RVJVJABYGPOOPV-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1COCCN(S(C)(=O)=O)C1 ZINC000616663340 417088995 /nfs/dbraw/zinc/08/89/95/417088995.db2.gz KHQYFLAJTWJUIA-SNVBAGLBSA-N 0 0 308.400 0.419 10 0 DCAERN COC(=O)[C@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616658426 417089341 /nfs/dbraw/zinc/08/93/41/417089341.db2.gz SSFDDEDBWJKVOD-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1cc(F)cc(F)c1 ZINC000404127428 417117171 /nfs/dbraw/zinc/11/71/71/417117171.db2.gz ASNJXFRQCLYYKP-GFCCVEGCSA-N 0 0 307.318 0.785 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 ZINC000404209953 417118796 /nfs/dbraw/zinc/11/87/96/417118796.db2.gz UBOMEIMJVFLVCV-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN CN1C[C@H](NC(=O)c2nscc2Br)CC1=O ZINC000404815366 417120091 /nfs/dbraw/zinc/12/00/91/417120091.db2.gz JZELIJBRTCZRFG-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1nscc1Br ZINC000404846108 417121927 /nfs/dbraw/zinc/12/19/27/417121927.db2.gz DNXYYXQIWAUVGL-ZCFIWIBFSA-N 0 0 320.168 0.232 10 0 DCAERN Cc1noc([C@@H]2CN(C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036375 417133412 /nfs/dbraw/zinc/13/34/12/417133412.db2.gz RVXRDUISKZMERL-ONGXEEELSA-N 0 0 308.304 0.980 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)NC[C@](C)(O)CO)ccc21 ZINC000431576512 417134367 /nfs/dbraw/zinc/13/43/67/417134367.db2.gz GQMBHZGLLPNJSG-HNNXBMFYSA-N 0 0 307.350 0.460 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2cc(C3CCCC3)[nH]n2)C1 ZINC000408049751 417135362 /nfs/dbraw/zinc/13/53/62/417135362.db2.gz FESUEIKIGALZDR-INIZCTEOSA-N 0 0 320.393 1.379 10 0 DCAERN COC(=O)c1cnc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cn1 ZINC000568429631 417137051 /nfs/dbraw/zinc/13/70/51/417137051.db2.gz PLPAEAJMBNFRON-LBPRGKRZSA-N 0 0 321.333 0.819 10 0 DCAERN C[C@H](O)C1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000408190589 417146816 /nfs/dbraw/zinc/14/68/16/417146816.db2.gz ATSXJLZHARBCSI-NSHDSACASA-N 0 0 303.424 0.963 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000408200909 417147048 /nfs/dbraw/zinc/14/70/48/417147048.db2.gz FQQQGKWJIFXBTQ-SECBINFHSA-N 0 0 316.383 0.245 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC(O)CC2)[C@@H]1c1cccnc1 ZINC000408189215 417147491 /nfs/dbraw/zinc/14/74/91/417147491.db2.gz MNELBPGDCPAJOS-ZFWWWQNUSA-N 0 0 303.362 0.584 10 0 DCAERN C[C@@H]1CN(CC(=O)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000408392454 417159294 /nfs/dbraw/zinc/15/92/94/417159294.db2.gz GUBFCXKNGFGKDU-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN CCc1nncn1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000569237961 417229727 /nfs/dbraw/zinc/22/97/27/417229727.db2.gz RXTWKFXWUYRABQ-LBPRGKRZSA-N 0 0 317.397 0.951 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)c3ccsn3)CC2)n1 ZINC000449919533 417186990 /nfs/dbraw/zinc/18/69/90/417186990.db2.gz QZFZWGHLOJJXMU-UHFFFAOYSA-N 0 0 318.406 0.962 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 ZINC000450122280 417198833 /nfs/dbraw/zinc/19/88/33/417198833.db2.gz NLGDPECGBRNTPN-NWDGAFQWSA-N 0 0 312.414 0.457 10 0 DCAERN COCCCS(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632672057 417221904 /nfs/dbraw/zinc/22/19/04/417221904.db2.gz ZFZHLBIJMKBDCM-DTWKUNHWSA-N 0 0 305.318 0.455 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@H](C2CC2)O1 ZINC000525944192 417162991 /nfs/dbraw/zinc/16/29/91/417162991.db2.gz DJSMRINRXNLFHP-MRRJBJDNSA-N 0 0 320.389 0.625 10 0 DCAERN CO[C@H](C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000620721366 417270267 /nfs/dbraw/zinc/27/02/67/417270267.db2.gz BXOVKNKJSXQIGV-ZBFHGGJFSA-N 0 0 305.422 0.954 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000450786796 417271387 /nfs/dbraw/zinc/27/13/87/417271387.db2.gz QFXDYFHYOKKDRK-UHFFFAOYSA-N 0 0 320.393 0.539 10 0 DCAERN Cc1nn(C)cc1CC(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000450510108 417232361 /nfs/dbraw/zinc/23/23/61/417232361.db2.gz FFDNLGBCGSVPHN-CQSZACIVSA-N 0 0 316.336 0.942 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncnc3[nH]ccc32)CC12COC2 ZINC000450570524 417240464 /nfs/dbraw/zinc/24/04/64/417240464.db2.gz PFSSXKBXJOJHRJ-LLVKDONJSA-N 0 0 302.334 0.974 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)c1cccc(C(F)(F)F)n1 ZINC000450606827 417248127 /nfs/dbraw/zinc/24/81/27/417248127.db2.gz GBIMAGOIRJNNEF-LLVKDONJSA-N 0 0 306.240 0.754 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC(=O)N1 ZINC000408442667 297198177 /nfs/dbraw/zinc/19/81/77/297198177.db2.gz MJAUXVRAYXUHOM-UTUOFQBUSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCC(C)(C)F)CC1 ZINC000632990433 417310943 /nfs/dbraw/zinc/31/09/43/417310943.db2.gz RUXWTZTULZEOLL-UHFFFAOYSA-N 0 0 316.377 0.115 10 0 DCAERN COC(=O)c1n[nH]c2c1CN(C[C@@H](O)CC(F)(F)F)CC2 ZINC000451742179 417390059 /nfs/dbraw/zinc/39/00/59/417390059.db2.gz FPGRQSQVPFBTSN-ZETCQYMHSA-N 0 0 307.272 0.868 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000570967400 417409839 /nfs/dbraw/zinc/40/98/39/417409839.db2.gz DNAOIACFJKEDLY-SECBINFHSA-N 0 0 305.306 0.270 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451618914 417366907 /nfs/dbraw/zinc/36/69/07/417366907.db2.gz GVVFQUSSVNLUCB-NSHDSACASA-N 0 0 320.411 0.085 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CC(C)C)CC12COC2 ZINC000451617284 417367072 /nfs/dbraw/zinc/36/70/72/417367072.db2.gz ATTSLDOQDJOOBQ-LLVKDONJSA-N 0 0 305.396 0.484 10 0 DCAERN CN1CC[C@@H](N2CCCc3c(OCC(N)=O)cccc32)C1=O ZINC000451660665 417375556 /nfs/dbraw/zinc/37/55/56/417375556.db2.gz GSFOTRFAOHBXEU-CYBMUJFWSA-N 0 0 303.362 0.534 10 0 DCAERN C[C@@H](CN1CCOCC1)N(C)C(=O)c1cccc2ncnn21 ZINC000570666934 417376701 /nfs/dbraw/zinc/37/67/01/417376701.db2.gz OKAISHCNEKWCEV-LBPRGKRZSA-N 0 0 303.366 0.522 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc[nH]c2=O)CC12COC2 ZINC000452231627 417459457 /nfs/dbraw/zinc/45/94/57/417459457.db2.gz UOGJZFYPFOGVAA-NSHDSACASA-N 0 0 306.318 0.439 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cccnc2C)CC12COC2 ZINC000452225817 417460799 /nfs/dbraw/zinc/46/07/99/417460799.db2.gz RBYWDKLFPDDSTN-CQSZACIVSA-N 0 0 318.373 0.971 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC2(O)CCCC2)CC12COC2 ZINC000452256054 417462044 /nfs/dbraw/zinc/46/20/44/417462044.db2.gz GXNGMKVXBVLKGJ-GFCCVEGCSA-N 0 0 311.378 0.720 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2C)CC12COC2 ZINC000452262139 417462334 /nfs/dbraw/zinc/46/23/34/417462334.db2.gz MFTDANQEISHQCO-GFCCVEGCSA-N 0 0 320.345 0.747 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCn2ccnc2)CC12COC2 ZINC000452262060 417462831 /nfs/dbraw/zinc/46/28/31/417462831.db2.gz LYIMJNMGUKJZFD-GFCCVEGCSA-N 0 0 307.350 0.311 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)CC12COC2 ZINC000452265776 417464914 /nfs/dbraw/zinc/46/49/14/417464914.db2.gz RAOCFRKQBIGQJC-WFASDCNBSA-N 0 0 311.378 0.841 10 0 DCAERN O=C([C@H](O)C1CCOCC1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530075319 417538453 /nfs/dbraw/zinc/53/84/53/417538453.db2.gz HSLLLFQQYHPEBH-GXTWGEPZSA-N 0 0 307.350 0.633 10 0 DCAERN O=C([C@@H](O)C1CCOCC1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530075320 417538999 /nfs/dbraw/zinc/53/89/99/417538999.db2.gz HSLLLFQQYHPEBH-JSGCOSHPSA-N 0 0 307.350 0.633 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000627969602 417543251 /nfs/dbraw/zinc/54/32/51/417543251.db2.gz SLGHLWNZVOTOMY-ONGXEEELSA-N 0 0 313.398 0.090 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCCCOC)CC12COC2 ZINC000454275099 417553882 /nfs/dbraw/zinc/55/38/82/417553882.db2.gz IBLYDXGSWQGYHF-GFCCVEGCSA-N 0 0 314.382 0.634 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000633865463 417501893 /nfs/dbraw/zinc/50/18/93/417501893.db2.gz QLXMCHUCACVSMW-HRDYMLBCSA-N 0 0 311.304 0.872 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NCC(=O)N3CCCO3)ccc21 ZINC000627878063 417521321 /nfs/dbraw/zinc/52/13/21/417521321.db2.gz CFPXYKJRIJLRMC-UHFFFAOYSA-N 0 0 317.345 0.489 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623000336 417523172 /nfs/dbraw/zinc/52/31/72/417523172.db2.gz FGQFNEPCKIBNQQ-CYBMUJFWSA-N 0 0 310.375 0.251 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000454966384 417586624 /nfs/dbraw/zinc/58/66/24/417586624.db2.gz JBFYSOWISSWXQA-WOPDTQHZSA-N 0 0 300.403 0.855 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)N1Cc3ccccc3CO1)N(C)C2 ZINC000644469085 417588053 /nfs/dbraw/zinc/58/80/53/417588053.db2.gz NDDIQZFVOHMMPP-AWEZNQCLSA-N 0 0 313.361 0.875 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCN(CCO)[C@H](C)C2)nc1 ZINC000455126843 417594449 /nfs/dbraw/zinc/59/44/49/417594449.db2.gz MLIMORLIGVHLKW-LLVKDONJSA-N 0 0 306.366 0.815 10 0 DCAERN COC[C@@](C)(O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000531156197 417608908 /nfs/dbraw/zinc/60/89/08/417608908.db2.gz JNYOSYZDOWTRID-HNNXBMFYSA-N 0 0 321.381 0.359 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)COC)CC12COC2 ZINC000454461677 417563262 /nfs/dbraw/zinc/56/32/62/417563262.db2.gz SEEHVXKXPZSWHW-NEPJUHHUSA-N 0 0 314.382 0.490 10 0 DCAERN CN1CCC[C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1=O ZINC000531365069 417619931 /nfs/dbraw/zinc/61/99/31/417619931.db2.gz GGRRRZRAQOMMEP-GFCCVEGCSA-N 0 0 305.382 0.920 10 0 DCAERN COc1cc(OC)c(OC)cc1CN1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000628420024 417620572 /nfs/dbraw/zinc/62/05/72/417620572.db2.gz KXBWTRLYIPBXKL-ZUZCIYMTSA-N 0 0 324.377 0.787 10 0 DCAERN C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440056735 287393310 /nfs/dbraw/zinc/39/33/10/287393310.db2.gz YGMUCSZXFIBGHJ-LLVKDONJSA-N 0 0 319.361 0.497 10 0 DCAERN O=C([C@@H]1COC[C@@H]1c1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000628521215 417628798 /nfs/dbraw/zinc/62/87/98/417628798.db2.gz NSAGVSYTYUWRJW-CAOSSQGBSA-N 0 0 305.374 0.476 10 0 DCAERN O=C([C@H]1COC[C@H]1c1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000628521217 417628963 /nfs/dbraw/zinc/62/89/63/417628963.db2.gz NSAGVSYTYUWRJW-VGWMRTNUSA-N 0 0 305.374 0.476 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCSC[C@@H]1CCO ZINC000531587363 417630381 /nfs/dbraw/zinc/63/03/81/417630381.db2.gz XPPUDMHVSNTXEH-ZDUSSCGKSA-N 0 0 312.439 0.178 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N(C)Cc2nnnn2C)c1Cl ZINC000531806552 417638958 /nfs/dbraw/zinc/63/89/58/417638958.db2.gz ZARVMBTUSTXONQ-UHFFFAOYSA-N 0 0 322.756 0.769 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000576875938 417643891 /nfs/dbraw/zinc/64/38/91/417643891.db2.gz GXVGEDGUMSBCOT-UONOGXRCSA-N 0 0 317.393 0.890 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)Cc2cnn(CC)c2)C1 ZINC000531884764 417647488 /nfs/dbraw/zinc/64/74/88/417647488.db2.gz MJLTUMWKDXAABZ-ZDUSSCGKSA-N 0 0 322.413 0.848 10 0 DCAERN CC(C)(O)C(C)(C)CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000456805249 417665559 /nfs/dbraw/zinc/66/55/59/417665559.db2.gz WLDVYLOGXRVRER-INIZCTEOSA-N 0 0 310.394 0.513 10 0 DCAERN CN(CCC(=O)N1CCc2ccccc21)Cc1nnnn1C ZINC000532326997 417672306 /nfs/dbraw/zinc/67/23/06/417672306.db2.gz KXUVKAMRSGTNBI-UHFFFAOYSA-N 0 0 300.366 0.621 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)CN(C)C(C)=O)(C(=O)OC)C1(C)C ZINC000440871513 287410846 /nfs/dbraw/zinc/41/08/46/287410846.db2.gz WCVMWYHCFFUMHN-ABAIWWIYSA-N 0 0 314.382 0.328 10 0 DCAERN NC(=O)c1cccc(NC(=O)C(=O)NCCOCC2CCC2)c1 ZINC000580684589 417722096 /nfs/dbraw/zinc/72/20/96/417722096.db2.gz VYLVKQNJOQBSQE-UHFFFAOYSA-N 0 0 319.361 0.657 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)c1ccnc(OC2CCC2)c1 ZINC000458149364 417725745 /nfs/dbraw/zinc/72/57/45/417725745.db2.gz UVOMFGBTMIOZNJ-LBPRGKRZSA-N 0 0 317.349 0.395 10 0 DCAERN Cc1ccc(C[C@H](C)C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458149934 417725916 /nfs/dbraw/zinc/72/59/16/417725916.db2.gz VDAFSUHEWKKHBH-ZFWWWQNUSA-N 0 0 302.378 0.942 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H]2COCCN2C)cc1 ZINC000628921889 417727677 /nfs/dbraw/zinc/72/76/77/417727677.db2.gz MLYVFLZWMLJABK-HNNXBMFYSA-N 0 0 305.378 0.730 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cs1 ZINC000629141430 417747495 /nfs/dbraw/zinc/74/74/95/417747495.db2.gz VANAPFOWVHKKQM-ZJUUUORDSA-N 0 0 316.404 0.693 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cn1 ZINC000664269637 418108299 /nfs/dbraw/zinc/10/82/99/418108299.db2.gz QOLWUQFTRNEFAI-JGVFFNPUSA-N 0 0 322.184 0.463 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)cn1 ZINC000664269642 418107836 /nfs/dbraw/zinc/10/78/36/418107836.db2.gz QOLWUQFTRNEFAI-YUMQZZPRSA-N 0 0 322.184 0.463 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccncc1Br ZINC000664269043 418107856 /nfs/dbraw/zinc/10/78/56/418107856.db2.gz NWUKNIOZHCJDJR-UWVGGRQHSA-N 0 0 321.196 0.490 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1CCCO1 ZINC000177825633 545892338 /nfs/dbraw/zinc/89/23/38/545892338.db2.gz JIBVOTHIYJSOKO-ZWNOBZJWSA-N 0 0 306.366 0.915 10 0 DCAERN C/C=C/C[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)OCC ZINC000450908892 287453025 /nfs/dbraw/zinc/45/30/25/287453025.db2.gz IBNMYCCMEQMIEI-JOAKQRRISA-N 0 0 303.380 0.578 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@](C)(O)C2CCC2)CC12COC2 ZINC000452613204 287482336 /nfs/dbraw/zinc/48/23/36/287482336.db2.gz MRNSZAVNVUGBET-DOMZBBRYSA-N 0 0 311.378 0.576 10 0 DCAERN CCC1(CC)CN(C[C@H](O)CN2CCCC2=O)CC[S@]1=O ZINC000185276035 545911573 /nfs/dbraw/zinc/91/15/73/545911573.db2.gz OIENOBVYTWUKOY-YEJXKQKISA-N 0 0 316.467 0.593 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cnn(C)c2)CC12COC2 ZINC000454336295 287494613 /nfs/dbraw/zinc/49/46/13/287494613.db2.gz ZIODWWBZIKIFRB-LLVKDONJSA-N 0 0 308.338 0.464 10 0 DCAERN C[C@@H](N1CCN(C(=O)C(=O)N(C)CC2CC2)CC1)C(F)(F)F ZINC000460012727 287508299 /nfs/dbraw/zinc/50/82/99/287508299.db2.gz SFWFBJGJBZMOAZ-SNVBAGLBSA-N 0 0 321.343 0.950 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000194181221 545932107 /nfs/dbraw/zinc/93/21/07/545932107.db2.gz RFTJKGASLDYVGI-RYUDHWBXSA-N 0 0 312.414 0.601 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000367616252 287634785 /nfs/dbraw/zinc/63/47/85/287634785.db2.gz FWIZBEZBLWCEPI-NXEZZACHSA-N 0 0 323.315 0.970 10 0 DCAERN CCn1cc([C@H]2CN(c3cncc(OCCO)n3)CCO2)cn1 ZINC000302661610 230336535 /nfs/dbraw/zinc/33/65/35/230336535.db2.gz FDTCXLMJHHZJQB-CYBMUJFWSA-N 0 0 319.365 0.642 10 0 DCAERN C[C@@H](C(=O)N1CCNC(=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111584542 261108480 /nfs/dbraw/zinc/10/84/80/261108480.db2.gz FOEYRDVPPVZVPY-ZDUSSCGKSA-N 0 0 301.390 0.782 10 0 DCAERN COCCN1CCN(C(=O)/C=C/c2cncc(O)c2)C[C@H]1C ZINC000182026747 261115090 /nfs/dbraw/zinc/11/50/90/261115090.db2.gz WHCHAGHULATBNG-ITDFMYJTSA-N 0 0 305.378 0.980 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCC(F)(F)CO)c1ccccc1 ZINC000183935520 261117179 /nfs/dbraw/zinc/11/71/79/261117179.db2.gz SGNDIZOAYYKJGR-LBPRGKRZSA-N 0 0 300.305 0.998 10 0 DCAERN CCCCN(Cc1nc(N(C)C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000185274513 261119464 /nfs/dbraw/zinc/11/94/64/261119464.db2.gz QRCFRLCBCBWUFN-NSHDSACASA-N 0 0 316.427 0.925 10 0 DCAERN Cn1cc(NC(=O)c2cn3ccnc3s2)c(=O)n(C)c1=O ZINC000187940669 261124558 /nfs/dbraw/zinc/12/45/58/261124558.db2.gz UBSYCTMVOQXVGI-UHFFFAOYSA-N 0 0 305.319 0.046 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000188045169 261126004 /nfs/dbraw/zinc/12/60/04/261126004.db2.gz HMPUMYXIMNQXIO-JKSUJKDBSA-N 0 0 321.421 0.528 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCN(C)C(=O)[C@@H]3C)cnc12 ZINC000188572152 261128725 /nfs/dbraw/zinc/12/87/25/261128725.db2.gz KKENPVHXEAHCHF-NSHDSACASA-N 0 0 314.345 0.306 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000188584947 261129729 /nfs/dbraw/zinc/12/97/29/261129729.db2.gz VIXOVFXPKNGWEO-GHMZBOCLSA-N 0 0 303.428 0.708 10 0 DCAERN CCOc1ccc(S(=O)(=O)NCC2(CCO)CC2)cn1 ZINC000188947547 261130603 /nfs/dbraw/zinc/13/06/03/261130603.db2.gz RQOMQWLHHYFGDD-UHFFFAOYSA-N 0 0 300.380 0.921 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000189897017 261133979 /nfs/dbraw/zinc/13/39/79/261133979.db2.gz JCXGRGQTIDEMEH-SRVKXCTJSA-N 0 0 323.397 0.467 10 0 DCAERN Cc1cc(CCNC(=O)NCC2(CO)COC2)cc(C)c1O ZINC000190913260 261135234 /nfs/dbraw/zinc/13/52/34/261135234.db2.gz IGKKRDCDJNRLSS-UHFFFAOYSA-N 0 0 308.378 0.860 10 0 DCAERN CCOC(=O)[C@@H](CC)N(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190611803 261135495 /nfs/dbraw/zinc/13/54/95/261135495.db2.gz ICSGCNQVSPLJHP-HUUCEWRRSA-N 0 0 314.426 0.486 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000191158387 261136281 /nfs/dbraw/zinc/13/62/81/261136281.db2.gz WJXBAJUWXHWKHP-AWEZNQCLSA-N 0 0 315.373 0.766 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)cn1 ZINC000192999375 261140443 /nfs/dbraw/zinc/14/04/43/261140443.db2.gz LJDBIBCSKIWZMG-UHFFFAOYSA-N 0 0 310.329 0.532 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)NCCCN1CCCC1=O ZINC000193595866 261143247 /nfs/dbraw/zinc/14/32/47/261143247.db2.gz CNIUZSGKBHBMKW-GFCCVEGCSA-N 0 0 312.414 0.603 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000193821685 261143934 /nfs/dbraw/zinc/14/39/34/261143934.db2.gz PQXZODPMXLBSRM-JTQLQIEISA-N 0 0 324.406 0.619 10 0 DCAERN CCOC(=O)[C@@H](NC(=O)Cn1cnnn1)c1ccc(Cl)cc1 ZINC000193859233 261143957 /nfs/dbraw/zinc/14/39/57/261143957.db2.gz PSKGEMOMNXANMP-LBPRGKRZSA-N 0 0 323.740 0.747 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000194292364 261145993 /nfs/dbraw/zinc/14/59/93/261145993.db2.gz FTCXSHARHWLCGL-SECBINFHSA-N 0 0 324.410 0.355 10 0 DCAERN CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194770421 261148684 /nfs/dbraw/zinc/14/86/84/261148684.db2.gz QVOMUTQVCDZNFI-RYUDHWBXSA-N 0 0 304.346 0.811 10 0 DCAERN O=C(NCCCS(=O)(=O)c1ccccc1)[C@H]1CNC(=O)C1 ZINC000194831057 261148877 /nfs/dbraw/zinc/14/88/77/261148877.db2.gz KMXDGNOFVGDFDU-LLVKDONJSA-N 0 0 310.375 0.103 10 0 DCAERN COC(=O)[C@@H](C)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000222473959 261152176 /nfs/dbraw/zinc/15/21/76/261152176.db2.gz MMODUOZELPJNOF-GARJFASQSA-N 0 0 308.400 0.081 10 0 DCAERN CC[C@@H]1COCCN1S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000233909996 261153863 /nfs/dbraw/zinc/15/38/63/261153863.db2.gz XDAPPQMFHXCDKX-GRYCIOLGSA-N 0 0 305.396 0.769 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000228890886 261153973 /nfs/dbraw/zinc/15/39/73/261153973.db2.gz PCXMBBMVLYIADF-IJLUTSLNSA-N 0 0 318.439 0.466 10 0 DCAERN C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCN1CCO ZINC000250080156 261166455 /nfs/dbraw/zinc/16/64/55/261166455.db2.gz OZPWNMZQWXQUOM-UONOGXRCSA-N 0 0 300.399 0.097 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000323341793 261178236 /nfs/dbraw/zinc/17/82/36/261178236.db2.gz PUALSSBJQSRXTG-INIZCTEOSA-N 0 0 317.345 0.024 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCCC2 ZINC000357386323 261534380 /nfs/dbraw/zinc/53/43/80/261534380.db2.gz WWWXVVNRFLRIAM-LJISPDSOSA-N 0 0 324.421 0.822 10 0 DCAERN CCn1ncnc1CNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000357975248 261609336 /nfs/dbraw/zinc/60/93/36/261609336.db2.gz AFEWHTHMKVZSNG-UHFFFAOYSA-N 0 0 311.349 0.873 10 0 DCAERN Cn1nncc1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000358117480 261634067 /nfs/dbraw/zinc/63/40/67/261634067.db2.gz HXAQLSVCAQOSNM-UHFFFAOYSA-N 0 0 311.704 0.863 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NC[C@@H](CO)C2CC2)c1=O ZINC000358331284 261657476 /nfs/dbraw/zinc/65/74/76/261657476.db2.gz DJNDPHOPDABXRM-ZDUSSCGKSA-N 0 0 317.389 0.958 10 0 DCAERN CC(=O)N1CCN(C(=O)NC2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000359081479 261720717 /nfs/dbraw/zinc/72/07/17/261720717.db2.gz UDDZDSAAUBKOIO-PKSQDBQZSA-N 0 0 310.398 0.293 10 0 DCAERN C[C@H](c1ccccc1)[C@@H](NC(=O)COc1cnn(C)c1)C(N)=O ZINC000359242638 261731301 /nfs/dbraw/zinc/73/13/01/261731301.db2.gz KFDREJJCCXIRNV-IAQYHMDHSA-N 0 0 316.361 0.573 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCC(F)(F)C2)CCO1 ZINC000359451696 261745976 /nfs/dbraw/zinc/74/59/76/261745976.db2.gz COAZXVGVXFDZEP-UWVGGRQHSA-N 0 0 305.325 0.721 10 0 DCAERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)N1CCOCC1 ZINC000359783774 261768409 /nfs/dbraw/zinc/76/84/09/261768409.db2.gz HGUVOSMMIHNRQX-BDAKNGLRSA-N 0 0 302.318 0.836 10 0 DCAERN COCCOCCS(=O)(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000360148811 261798747 /nfs/dbraw/zinc/79/87/47/261798747.db2.gz LNCGCBCPZYTZOY-CQSZACIVSA-N 0 0 323.455 0.900 10 0 DCAERN O=C(N1CCO[C@@H](COc2ccccc2)C1)C1(O)CCOCC1 ZINC000360559882 261846410 /nfs/dbraw/zinc/84/64/10/261846410.db2.gz IDRQFILBNYIISE-OAHLLOKOSA-N 0 0 321.373 0.834 10 0 DCAERN O=C(Cn1ncc2ccccc21)N[C@H](CO)C1CCOCC1 ZINC000360677849 261860747 /nfs/dbraw/zinc/86/07/47/261860747.db2.gz TVWYTRDRAJIUPZ-CQSZACIVSA-N 0 0 303.362 0.940 10 0 DCAERN CC[C@H](OC)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807569 261877818 /nfs/dbraw/zinc/87/78/18/261877818.db2.gz VTLGIMHXRZBCDN-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN CCN(C)C(=O)CNC(=O)CCc1nc2ccccc2oc1=O ZINC000360968567 261890743 /nfs/dbraw/zinc/89/07/43/261890743.db2.gz HVPSJNOQCZZWTB-UHFFFAOYSA-N 0 0 317.345 0.715 10 0 DCAERN COC[C@@H]1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000361826209 261965565 /nfs/dbraw/zinc/96/55/65/261965565.db2.gz TZGSUWNRTNPBEK-LLVKDONJSA-N 0 0 308.382 0.977 10 0 DCAERN COC[C@@](C)(NC(=O)CN1CCC(=O)NC1=O)C(F)(F)F ZINC000362202651 262008835 /nfs/dbraw/zinc/00/88/35/262008835.db2.gz IIWBCMHXPIDZCR-SNVBAGLBSA-N 0 0 311.260 0.012 10 0 DCAERN C[C@H]1CCOCCN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000362255684 262015966 /nfs/dbraw/zinc/01/59/66/262015966.db2.gz JSDLLOYNIBPESV-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN CC(C)c1nnc(NC(=O)CN(C)Cc2nnnn2C)s1 ZINC000362284296 262018767 /nfs/dbraw/zinc/01/87/67/262018767.db2.gz IXEOBNPQRBIPEJ-UHFFFAOYSA-N 0 0 310.387 0.256 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)nc1C ZINC000362424539 262033486 /nfs/dbraw/zinc/03/34/86/262033486.db2.gz VHFKHKPDUBUQTG-ZETCQYMHSA-N 0 0 313.379 0.308 10 0 DCAERN CNC(=O)CCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362475487 262039304 /nfs/dbraw/zinc/03/93/04/262039304.db2.gz AMVRZJLMCVKTEC-LLVKDONJSA-N 0 0 307.350 0.652 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncncc1Cl ZINC000362667150 262058401 /nfs/dbraw/zinc/05/84/01/262058401.db2.gz REXFHXXKXNOSNW-SFYZADRCSA-N 0 0 300.746 0.998 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000363246588 262108511 /nfs/dbraw/zinc/10/85/11/262108511.db2.gz ZEQUBMDWLVUFOU-NEPJUHHUSA-N 0 0 311.407 0.177 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791806 262129922 /nfs/dbraw/zinc/12/99/22/262129922.db2.gz DSEDUDWVYHVCSI-AWEZNQCLSA-N 0 0 324.425 0.161 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN2CCOC[C@H]2C1 ZINC000363791081 262130536 /nfs/dbraw/zinc/13/05/36/262130536.db2.gz CIBPAFCFHKNACR-NWDGAFQWSA-N 0 0 312.414 0.016 10 0 DCAERN O=C(CN1CCc2ccccc2C1=O)N1CC(F)(F)C[C@H]1CO ZINC000363812994 262132278 /nfs/dbraw/zinc/13/22/78/262132278.db2.gz DLGWYODAOXRUEB-LBPRGKRZSA-N 0 0 324.327 0.913 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000363868815 262134956 /nfs/dbraw/zinc/13/49/56/262134956.db2.gz OQYXIYWBVIIVPJ-CQSZACIVSA-N 0 0 304.346 0.630 10 0 DCAERN CN1CC(=O)N(CC(=O)Nc2cccc3c2OCCC3)C1=O ZINC000363861761 262135219 /nfs/dbraw/zinc/13/52/19/262135219.db2.gz RJNOYTQNSUSTSP-UHFFFAOYSA-N 0 0 303.318 0.844 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)CC1 ZINC000393227560 262161365 /nfs/dbraw/zinc/16/13/65/262161365.db2.gz UHIFNWGLDBDWRL-CHWSQXEVSA-N 0 0 318.439 0.564 10 0 DCAERN CCN1C[C@@H](NCc2c(Br)cnn2C)CC1=O ZINC000391545628 262161392 /nfs/dbraw/zinc/16/13/92/262161392.db2.gz OYPIOCJGIDPXIS-QMMMGPOBSA-N 0 0 301.188 0.893 10 0 DCAERN CC(=O)c1cccc(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000425291638 262520237 /nfs/dbraw/zinc/52/02/37/262520237.db2.gz RQYDOUXTKYHHCA-HNNXBMFYSA-N 0 0 306.362 0.312 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](CO)C2CC2)C1 ZINC000358781198 271071024 /nfs/dbraw/zinc/07/10/24/271071024.db2.gz OCOMIUQUVMDRBA-MGPQQGTHSA-N 0 0 311.426 0.951 10 0 DCAERN COCC[C@@H](C)NC(=O)C(=O)NCCc1cccc(OC)n1 ZINC000358880618 271078847 /nfs/dbraw/zinc/07/88/47/271078847.db2.gz YAXHDIZRMINFPB-LLVKDONJSA-N 0 0 309.366 0.290 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCC(=O)N(C)CC)no1 ZINC000359148076 271098655 /nfs/dbraw/zinc/09/86/55/271098655.db2.gz WAOSQFVIKCEADC-SECBINFHSA-N 0 0 313.358 0.445 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCC(=O)N(C)CC)no1 ZINC000359148077 271098677 /nfs/dbraw/zinc/09/86/77/271098677.db2.gz WAOSQFVIKCEADC-VIFPVBQESA-N 0 0 313.358 0.445 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000359608268 271130422 /nfs/dbraw/zinc/13/04/22/271130422.db2.gz ITZRFGTYQPJTJQ-AWEZNQCLSA-N 0 0 318.377 0.254 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000359608858 271131662 /nfs/dbraw/zinc/13/16/62/271131662.db2.gz JJDPRGZFLABROC-XHDPSFHLSA-N 0 0 309.366 0.248 10 0 DCAERN CN1N=C(C(=O)N2c3ccccc3C[C@H]2C(N)=O)CCC1=O ZINC000359958303 271151197 /nfs/dbraw/zinc/15/11/97/271151197.db2.gz QZZBBPQIOPLEKT-LBPRGKRZSA-N 0 0 300.318 0.038 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000360900866 271163603 /nfs/dbraw/zinc/16/36/03/271163603.db2.gz BXILOXFNLUSWCA-SYQHCUMBSA-N 0 0 312.410 0.537 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000363896910 271207214 /nfs/dbraw/zinc/20/72/14/271207214.db2.gz OLKOXYHLBYCBOY-SNVBAGLBSA-N 0 0 307.354 0.119 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000435169387 271554392 /nfs/dbraw/zinc/55/43/92/271554392.db2.gz VHBRVMJXHBQNFI-NSHDSACASA-N 0 0 323.397 0.648 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@H]1CCSC1 ZINC000440025138 271647062 /nfs/dbraw/zinc/64/70/62/271647062.db2.gz GFJHJPJUUFYRLX-NSHDSACASA-N 0 0 319.386 0.984 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cccc(OCC(N)=O)c2)C1=O ZINC000445914141 271750857 /nfs/dbraw/zinc/75/08/57/271750857.db2.gz REDHDYYCXCCJMZ-ZZKXABKFSA-N 0 0 303.318 0.942 10 0 DCAERN C[C@@H](Cc1ccccc1F)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457984198 271939131 /nfs/dbraw/zinc/93/91/31/271939131.db2.gz WTMVXQXVQUBSOW-WCQYABFASA-N 0 0 321.356 0.709 10 0 DCAERN CCSc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cn1 ZINC000458125528 271942806 /nfs/dbraw/zinc/94/28/06/271942806.db2.gz BMGJHMBWJZUBHH-NSHDSACASA-N 0 0 307.379 0.576 10 0 DCAERN O=C(CCOc1ccc(F)cc1)NC[C@H](O)Cn1ccnn1 ZINC000458154793 271945094 /nfs/dbraw/zinc/94/50/94/271945094.db2.gz ZOXUJLZPTWUIFL-LBPRGKRZSA-N 0 0 308.313 0.363 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)NC[C@@H](O)Cn1ccnn1)C(F)(F)F ZINC000459549157 272000958 /nfs/dbraw/zinc/00/09/58/272000958.db2.gz YQVLZGJXTGTQEW-AEJSXWLSSA-N 0 0 323.319 0.915 10 0 DCAERN O=C(C(=O)N1CCCCCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459796111 272009536 /nfs/dbraw/zinc/00/95/36/272009536.db2.gz PYJOFLLPFMSBMH-INIZCTEOSA-N 0 0 307.394 0.518 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000463819119 272027161 /nfs/dbraw/zinc/02/71/61/272027161.db2.gz QWBLEPAAMUSZPJ-SCVCMEIPSA-N 0 0 304.412 0.277 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000471666502 272028380 /nfs/dbraw/zinc/02/83/80/272028380.db2.gz BHRWCSWOYUILBM-NXEZZACHSA-N 0 0 316.379 0.827 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccnn1C)CC2 ZINC000471907231 272032744 /nfs/dbraw/zinc/03/27/44/272032744.db2.gz AHQVLEMOIOVYQU-LLVKDONJSA-N 0 0 317.397 0.730 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cncs1 ZINC000487114040 272037891 /nfs/dbraw/zinc/03/78/91/272037891.db2.gz HCTUDTWEGSXKJF-IUCAKERBSA-N 0 0 313.379 0.258 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)[nH]n1 ZINC000487558608 272041640 /nfs/dbraw/zinc/04/16/40/272041640.db2.gz LDHIGIIJMUIYAE-MFKMUULPSA-N 0 0 307.398 0.958 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(C(N)=O)o2)[nH]n1 ZINC000487558059 272041818 /nfs/dbraw/zinc/04/18/18/272041818.db2.gz IRCFCKRJZXDYMF-MRVPVSSYSA-N 0 0 305.338 0.840 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)CN(C)CC(=O)NC(C)C)[nH]n1 ZINC000488982402 272055245 /nfs/dbraw/zinc/05/52/45/272055245.db2.gz LPLCVBOZZVEXMS-NSHDSACASA-N 0 0 309.414 0.222 10 0 DCAERN O=C(NC[C@@H](O)C(F)F)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000494272479 272216030 /nfs/dbraw/zinc/21/60/30/272216030.db2.gz ZFZSTRGEJNSQLG-SNVBAGLBSA-N 0 0 314.288 0.692 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449050 272222201 /nfs/dbraw/zinc/22/22/01/272222201.db2.gz XQGDNCNOXPSQJG-QWHCGFSZSA-N 0 0 313.442 0.859 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000494767995 272231234 /nfs/dbraw/zinc/23/12/34/272231234.db2.gz BVJWPMHLDANMMS-SNVBAGLBSA-N 0 0 306.366 0.510 10 0 DCAERN COc1ccc2c(c1)OC[C@H](NC(=O)COc1cnn(C)c1)C2 ZINC000516854610 272446850 /nfs/dbraw/zinc/44/68/50/272446850.db2.gz OIDDVSRYLSMLFN-GFCCVEGCSA-N 0 0 317.345 0.927 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N(CC(F)F)C1CC1)c2=O ZINC000517351498 272465482 /nfs/dbraw/zinc/46/54/82/272465482.db2.gz OAQRLKYPKHDUIG-UHFFFAOYSA-N 0 0 311.292 0.386 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@@H](C)C1 ZINC000528839199 272663277 /nfs/dbraw/zinc/66/32/77/272663277.db2.gz HTRLNGHOQPGOBW-VIFPVBQESA-N 0 0 300.309 0.900 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000532068048 272777287 /nfs/dbraw/zinc/77/72/87/272777287.db2.gz RYVNUWVPNUASAH-UHFFFAOYSA-N 0 0 304.310 0.645 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)c1cc2ccccc2o1 ZINC000532320612 272784443 /nfs/dbraw/zinc/78/44/43/272784443.db2.gz HDSQVFSBPVGXPU-UHFFFAOYSA-N 0 0 307.335 0.777 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000530414327 287747946 /nfs/dbraw/zinc/74/79/46/287747946.db2.gz XYBZGTABYBXONY-GXTWGEPZSA-N 0 0 316.361 0.868 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccn(C)n2)C1=O ZINC000536564410 287857561 /nfs/dbraw/zinc/85/75/61/287857561.db2.gz TWKOMAMKPZJVJJ-LLVKDONJSA-N 0 0 314.345 0.850 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cncc(C(=O)OC)c2)C1 ZINC000537008455 287862612 /nfs/dbraw/zinc/86/26/12/287862612.db2.gz FLABINNPHOGNGV-LBPRGKRZSA-N 0 0 320.349 0.402 10 0 DCAERN O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cn2cccnc2n1 ZINC000538934381 287887384 /nfs/dbraw/zinc/88/73/84/287887384.db2.gz QWFCVJKSCIHQHX-XHDPSFHLSA-N 0 0 302.334 0.797 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CC(n3ccnc3)C2)cc1 ZINC000541122536 287916791 /nfs/dbraw/zinc/91/67/91/287916791.db2.gz HFMRRPPVHWBSNL-UHFFFAOYSA-N 0 0 321.358 0.915 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1=O ZINC000333377792 276874880 /nfs/dbraw/zinc/87/48/80/276874880.db2.gz BAUDQOBSSMBQGZ-PWSUYJOCSA-N 0 0 315.329 0.376 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cn1 ZINC000408277700 277015953 /nfs/dbraw/zinc/01/59/53/277015953.db2.gz QPSOFRMMCRLIJG-HNNXBMFYSA-N 0 0 305.334 0.073 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1=O ZINC000284680286 277157896 /nfs/dbraw/zinc/15/78/96/277157896.db2.gz WPPRBBCAKUVUFQ-UWVGGRQHSA-N 0 0 305.382 0.425 10 0 DCAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000543604826 287960756 /nfs/dbraw/zinc/96/07/56/287960756.db2.gz FKRISKGQPMTKPX-CABCVRRESA-N 0 0 323.437 0.567 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000374211142 277999990 /nfs/dbraw/zinc/99/99/90/277999990.db2.gz JBUIDPVKWGKFPW-BNOWGMLFSA-N 0 0 322.409 0.260 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000330501885 278009274 /nfs/dbraw/zinc/00/92/74/278009274.db2.gz VSRCOJUOAUTEHL-HUUCEWRRSA-N 0 0 311.426 0.470 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000329710102 278021825 /nfs/dbraw/zinc/02/18/25/278021825.db2.gz NMGLDTRHVMOLMH-CVEARBPZSA-N 0 0 323.437 0.711 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCSC(C)(C)C2)C1 ZINC000408054371 278031583 /nfs/dbraw/zinc/03/15/83/278031583.db2.gz RNTUVIBCXRZZFW-CQSZACIVSA-N 0 0 300.424 0.714 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC000174816806 278074812 /nfs/dbraw/zinc/07/48/12/278074812.db2.gz BTUGWQZMEDZURL-CQSZACIVSA-N 0 0 306.410 0.759 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)n1 ZINC000545983422 288009338 /nfs/dbraw/zinc/00/93/38/288009338.db2.gz GDPKUYVKGRIYQN-CYBMUJFWSA-N 0 0 311.363 0.408 10 0 DCAERN O=C(Cn1ncc2ccccc21)NCc1nnnn1CC1CC1 ZINC000546019091 288012767 /nfs/dbraw/zinc/01/27/67/288012767.db2.gz QANDNPYIWDZVPS-UHFFFAOYSA-N 0 0 311.349 0.749 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000048671738 278179349 /nfs/dbraw/zinc/17/93/49/278179349.db2.gz ACKQSIMWIQDTJY-YPMHNXCESA-N 0 0 303.428 0.706 10 0 DCAERN C[C@]1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCO[C@H]1C1CC1 ZINC000546657058 288023815 /nfs/dbraw/zinc/02/38/15/288023815.db2.gz FWCVLDMTUUPZSN-HLLBOEOZSA-N 0 0 323.437 0.918 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC[C@@H](C)O ZINC000547390865 288042397 /nfs/dbraw/zinc/04/23/97/288042397.db2.gz NFMAGWZBISCDLY-SNVBAGLBSA-N 0 0 319.361 0.421 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000547449243 288047736 /nfs/dbraw/zinc/04/77/36/288047736.db2.gz SQQWJUSKFVOFHE-MELADBBJSA-N 0 0 301.383 0.570 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000408197747 278691016 /nfs/dbraw/zinc/69/10/16/278691016.db2.gz MROJZPAYFOQDRS-LLVKDONJSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408112363 288069094 /nfs/dbraw/zinc/06/90/94/288069094.db2.gz KEEKIPFKHOHOQA-BBBLOLIVSA-N 0 0 307.316 0.606 10 0 DCAERN Cc1ccc(CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 ZINC000547732770 288073435 /nfs/dbraw/zinc/07/34/35/288073435.db2.gz OKFZIXPEGOEMLN-KRWDZBQOSA-N 0 0 315.373 0.662 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nccn1Cc1ccccc1 ZINC000547732382 288073485 /nfs/dbraw/zinc/07/34/85/288073485.db2.gz OVDRAGLBDXCREZ-UHFFFAOYSA-N 0 0 314.345 0.729 10 0 DCAERN COc1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nn1C ZINC000547792956 288080056 /nfs/dbraw/zinc/08/00/56/288080056.db2.gz FTHHHOSYJHOOPB-CYBMUJFWSA-N 0 0 322.409 0.756 10 0 DCAERN Cc1csc(NC(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1 ZINC000372736071 279043161 /nfs/dbraw/zinc/04/31/61/279043161.db2.gz GLQBJJKEUOPJRI-UMNHJUIQSA-N 0 0 308.407 0.976 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)[C@H]1CCc3n[nH]nc3C1)CCO2 ZINC000408046460 279048229 /nfs/dbraw/zinc/04/82/29/279048229.db2.gz CEXACIWWDFWREX-ZIBATOQPSA-N 0 0 306.366 0.316 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000548059345 288107509 /nfs/dbraw/zinc/10/75/09/288107509.db2.gz WYSAONBJXBOBJV-MFKMUULPSA-N 0 0 320.345 0.604 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)N1CCOCC1 ZINC000174508783 279159478 /nfs/dbraw/zinc/15/94/78/279159478.db2.gz RGJXWULMOAAXRI-CABCVRRESA-N 0 0 313.442 0.180 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)N1CCc2ccccc2C1 ZINC000091810001 279200320 /nfs/dbraw/zinc/20/03/20/279200320.db2.gz IWNHOIITBCXPQO-IUODEOHRSA-N 0 0 317.389 0.146 10 0 DCAERN Cn1ccnc1[C@H]1CN(c2ncnc3c2cnn3C)CCN1C ZINC000280436510 279379944 /nfs/dbraw/zinc/37/99/44/279379944.db2.gz KDDAMCKSDIRSDB-GFCCVEGCSA-N 0 0 312.381 0.590 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(C(N)=O)co1)CS2 ZINC000548295400 288129414 /nfs/dbraw/zinc/12/94/14/288129414.db2.gz VCTITGWCRSMGJW-YGRLFVJLSA-N 0 0 323.374 0.449 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000548389473 288138439 /nfs/dbraw/zinc/13/84/39/288138439.db2.gz UAQZLSCRQKZJRJ-LOUJCGABSA-N 0 0 320.389 0.673 10 0 DCAERN CN(CCC(=O)N1CCc2ccccc2C1)Cc1nnnn1C ZINC000548394592 288139505 /nfs/dbraw/zinc/13/95/05/288139505.db2.gz CYTMSEWJBJWPQU-UHFFFAOYSA-N 0 0 314.393 0.617 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000548407746 288140347 /nfs/dbraw/zinc/14/03/47/288140347.db2.gz HBBHPIVQMLPCFY-UHFFFAOYSA-N 0 0 317.389 0.909 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408246607 279588451 /nfs/dbraw/zinc/58/84/51/279588451.db2.gz NSSKKWHMWSTBBK-JTQLQIEISA-N 0 0 319.427 0.118 10 0 DCAERN CC(C)[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)[NH+]1CCCCC1 ZINC000408476857 279791308 /nfs/dbraw/zinc/79/13/08/279791308.db2.gz MTEYFMQZUOEJNQ-LBPRGKRZSA-N 0 0 304.412 0.342 10 0 DCAERN CO[C@]1(CNC(=O)N[C@H]2CCCc3nn(C)cc32)CCOC1 ZINC000548887385 288185060 /nfs/dbraw/zinc/18/50/60/288185060.db2.gz SOSLTNIZLLYCSP-WFASDCNBSA-N 0 0 308.382 0.902 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328879388 280090354 /nfs/dbraw/zinc/09/03/54/280090354.db2.gz LIUDMDUPTYYOTK-AVGNSLFASA-N 0 0 308.382 0.776 10 0 DCAERN CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000013646355 280272905 /nfs/dbraw/zinc/27/29/05/280272905.db2.gz DOFAQXCYFQKSHT-TUAOUCFPSA-N 0 0 311.382 0.036 10 0 DCAERN CCCc1nc(=NC(=O)NCC[N@@H+]2CCCOCC2)s[n-]1 ZINC000551050688 288222584 /nfs/dbraw/zinc/22/25/84/288222584.db2.gz AMSKYVBFBNEYBY-UHFFFAOYSA-N 0 0 313.427 0.756 10 0 DCAERN Cc1cc(C[NH2+][C@]2(C(=O)[O-])CCOC2)ccc1-n1cncn1 ZINC000551057976 288222600 /nfs/dbraw/zinc/22/26/00/288222600.db2.gz QIYXGAIFSLUENT-OAHLLOKOSA-N 0 0 302.334 0.909 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000366514115 280365229 /nfs/dbraw/zinc/36/52/29/280365229.db2.gz IRALYRHJJBHUHW-NQBHXWOUSA-N 0 0 305.396 0.216 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1COCCN1C)[C@@H]2C ZINC000329021961 280725702 /nfs/dbraw/zinc/72/57/02/280725702.db2.gz IDNWMRABZARCFU-NEPJUHHUSA-N 0 0 307.398 0.635 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2C[C@H]2C)[C@H](C)C1 ZINC000553434306 288298776 /nfs/dbraw/zinc/29/87/76/288298776.db2.gz VIHUJWRMMCYRJE-IJLUTSLNSA-N 0 0 303.428 0.708 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)CC(C)C)CCN1C[C@@H](C)O ZINC000408136652 281172893 /nfs/dbraw/zinc/17/28/93/281172893.db2.gz GJBXPTYXCBSXBM-KGLIPLIRSA-N 0 0 321.487 0.596 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@H]2CCCS2(=O)=O)on1 ZINC000553678100 288305227 /nfs/dbraw/zinc/30/52/27/288305227.db2.gz IILQKCSQEUWLSQ-LLVKDONJSA-N 0 0 301.368 0.402 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CSC[C@H]2C)C1 ZINC000553968119 288311357 /nfs/dbraw/zinc/31/13/57/288311357.db2.gz HKMZUPVESGXMJD-VWYCJHECSA-N 0 0 300.428 0.841 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C[C@@H](CO)O1 ZINC000333533571 281258600 /nfs/dbraw/zinc/25/86/00/281258600.db2.gz MQDJVUJPKOAPCB-VOAKCMCISA-N 0 0 303.424 0.977 10 0 DCAERN CC1(C)COCCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408024144 281283367 /nfs/dbraw/zinc/28/33/67/281283367.db2.gz XUOIJBIOLPQXIE-LLVKDONJSA-N 0 0 301.408 0.839 10 0 DCAERN Cc1cc(CCNC(=O)N2CC[C@H](N3CCCC3=O)C2)on1 ZINC000554307385 288318105 /nfs/dbraw/zinc/31/81/05/288318105.db2.gz NHJPDKXATVRNLX-LBPRGKRZSA-N 0 0 306.366 0.932 10 0 DCAERN CN1CCOC[C@@H]1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000556730362 288388708 /nfs/dbraw/zinc/38/87/08/288388708.db2.gz DYLLESOABFCOFA-CQSZACIVSA-N 0 0 301.346 0.808 10 0 DCAERN O=C(CNC(=O)C1CC1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558922598 288462634 /nfs/dbraw/zinc/46/26/34/288462634.db2.gz FJUOCSJMAUDOOZ-GXTWGEPZSA-N 0 0 310.394 0.197 10 0 DCAERN C[C@H](C(=O)Nc1ccc2c(c1F)CCNC2=O)n1cncn1 ZINC000560153780 288486430 /nfs/dbraw/zinc/48/64/30/288486430.db2.gz LBCGCZSYENPVFI-MRVPVSSYSA-N 0 0 303.297 0.903 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cnn(CC(=O)NC3CC3)c2)C1=O ZINC000565883854 288884931 /nfs/dbraw/zinc/88/49/31/288884931.db2.gz DSQIYLCBMWBRGH-ZZKXABKFSA-N 0 0 317.349 0.553 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)O1 ZINC000329260475 289025588 /nfs/dbraw/zinc/02/55/88/289025588.db2.gz AWLINVGBLHJQHZ-XJIUQZFPSA-N 0 0 322.405 0.792 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333240090 289027815 /nfs/dbraw/zinc/02/78/15/289027815.db2.gz ZSNKJTZQSWEQPR-WRWGMCAJSA-N 0 0 318.464 0.968 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000407967646 289230837 /nfs/dbraw/zinc/23/08/37/289230837.db2.gz QXQPOXULLDCYEQ-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000408184527 289231002 /nfs/dbraw/zinc/23/10/02/289231002.db2.gz BXTKTAXOLJCPSE-JLLWLGSASA-N 0 0 304.412 0.198 10 0 DCAERN CN(CC(=O)N1CCCN(C)C(=O)C1)C(=O)c1cccs1 ZINC000189808750 289458883 /nfs/dbraw/zinc/45/88/83/289458883.db2.gz NOZNMVABYGMIRK-UHFFFAOYSA-N 0 0 309.391 0.511 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@H](O)C1(C)C)c2=O ZINC000408239849 292743901 /nfs/dbraw/zinc/74/39/01/292743901.db2.gz FNAWNIADZREJMN-GFCCVEGCSA-N 0 0 301.346 0.988 10 0 DCAERN CN1CCC[C@]2(CCN(c3nc(N)nc4n[nH]cc43)C2)C1=O ZINC000067946501 290005296 /nfs/dbraw/zinc/00/52/96/290005296.db2.gz YJDOZPMGEMXOFT-CQSZACIVSA-N 0 0 301.354 0.384 10 0 DCAERN CN1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1=O ZINC000293245027 290214040 /nfs/dbraw/zinc/21/40/40/290214040.db2.gz UIOXIOCVYLUTLF-NSHDSACASA-N 0 0 301.346 0.877 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000068098671 293015466 /nfs/dbraw/zinc/01/54/66/293015466.db2.gz SVPDHOGNIGMHCU-KOLCDFICSA-N 0 0 311.407 0.721 10 0 DCAERN C[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CC[S@]1=O ZINC000408222470 297000392 /nfs/dbraw/zinc/00/03/92/297000392.db2.gz CQUNFSLJWMFLKW-FIKIJFGZSA-N 0 0 313.423 0.304 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)sc1C ZINC000366026360 293308901 /nfs/dbraw/zinc/30/89/01/293308901.db2.gz UKNSFVBOGFHWNY-LLVKDONJSA-N 0 0 324.406 0.241 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C[C@H](C)O1 ZINC000408011909 297042673 /nfs/dbraw/zinc/04/26/73/297042673.db2.gz WIQNKBAZAZAKFM-PHIMTYICSA-N 0 0 319.427 0.070 10 0 DCAERN CO[C@@]1(C)C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193402478 294156942 /nfs/dbraw/zinc/15/69/42/294156942.db2.gz UCZKHXLSHBNDGY-FOCJUVANSA-N 0 0 312.410 0.630 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@@H]2Cc3ccccc3O2)cn1 ZINC000181331324 294282085 /nfs/dbraw/zinc/28/20/85/294282085.db2.gz OEKZRRDIHUJUPT-HOCLYGCPSA-N 0 0 312.373 0.897 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366051087 294645300 /nfs/dbraw/zinc/64/53/00/294645300.db2.gz QRPNERPJFOHBBY-ZDEQEGDKSA-N 0 0 318.439 0.540 10 0 DCAERN NC(=O)[C@H]1CSCCN1C(=O)c1cc2c(cn1)OCCC2 ZINC000373304972 295161655 /nfs/dbraw/zinc/16/16/55/295161655.db2.gz SWSGKGFXQAZAMB-LLVKDONJSA-N 0 0 307.375 0.450 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000191916939 295635466 /nfs/dbraw/zinc/63/54/66/295635466.db2.gz UBLFMTOOFJKFTE-OLZOCXBDSA-N 0 0 322.361 0.457 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000408008861 297232119 /nfs/dbraw/zinc/23/21/19/297232119.db2.gz GJEKWIJZQSLREZ-MGPQQGTHSA-N 0 0 320.455 0.588 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000329469203 297809236 /nfs/dbraw/zinc/80/92/36/297809236.db2.gz XJZYTVBBNIDGLE-HZSPNIEDSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC1(Cl)Cl ZINC000194999631 297859363 /nfs/dbraw/zinc/85/93/63/297859363.db2.gz WGQFYLYDAPUFAF-QWRGUYRKSA-N 0 0 320.176 0.771 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O)N1CCOCC1 ZINC000329525672 298059455 /nfs/dbraw/zinc/05/94/55/298059455.db2.gz RCOJLFILRYMOMQ-QLFBSQMISA-N 0 0 324.421 0.694 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N1CCCN(CC(=O)N(C)C)CC1 ZINC000075697790 298128150 /nfs/dbraw/zinc/12/81/50/298128150.db2.gz UFNUAJDACZOGTL-CYBMUJFWSA-N 0 0 312.458 0.386 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037040 298190291 /nfs/dbraw/zinc/19/02/91/298190291.db2.gz LKRCKDBGWMRKJZ-XBFCOCLRSA-N 0 0 310.419 0.981 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC(=O)N1C ZINC000282477198 300189433 /nfs/dbraw/zinc/18/94/33/300189433.db2.gz VGLLMZJFZLLDKO-JTQLQIEISA-N 0 0 303.362 0.969 10 0 DCAERN C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000281792395 300348185 /nfs/dbraw/zinc/34/81/85/300348185.db2.gz OBQXFPRTOKXVND-NSHDSACASA-N 0 0 312.391 0.798 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1C ZINC000265276734 300896946 /nfs/dbraw/zinc/89/69/46/300896946.db2.gz XBJKRHPRDMDHLB-LLVKDONJSA-N 0 0 314.411 0.570 10 0 DCAERN Cc1c[nH]cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1=O ZINC000408135872 301028041 /nfs/dbraw/zinc/02/80/41/301028041.db2.gz ZMPOCRCVWBDRCB-OCCSQVGLSA-N 0 0 305.378 0.476 10 0 DCAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000368119412 302142143 /nfs/dbraw/zinc/14/21/43/302142143.db2.gz KOPKLQLLDFYWJE-SMDDNHRTSA-N 0 0 301.346 0.131 10 0 DCAERN Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408485483 303068775 /nfs/dbraw/zinc/06/87/75/303068775.db2.gz QKHBQTAMEZHFKF-GFCCVEGCSA-N 0 0 312.395 0.099 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N[C@H]2CCSC2)CC(=O)N1C ZINC000366421092 303092379 /nfs/dbraw/zinc/09/23/79/303092379.db2.gz NYVNXZDXCOGOPN-OUJBWJOFSA-N 0 0 308.407 0.561 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000284443779 303100939 /nfs/dbraw/zinc/10/09/39/303100939.db2.gz KBDOEPINXXZWHE-JSGCOSHPSA-N 0 0 314.345 0.719 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000285504323 303321629 /nfs/dbraw/zinc/32/16/29/303321629.db2.gz MINYLUXYPYZQJZ-QGZVFWFLSA-N 0 0 302.374 0.947 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCNC(=O)CC1 ZINC000072525960 303839763 /nfs/dbraw/zinc/83/97/63/303839763.db2.gz NWWRYRGOLMCQHR-OLZOCXBDSA-N 0 0 305.382 0.898 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)no1 ZINC000332813927 332876806 /nfs/dbraw/zinc/87/68/06/332876806.db2.gz RRPWOPZHEBDZMB-WDEREUQCSA-N 0 0 317.353 0.831 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)CCN1CCO ZINC000189318058 333072480 /nfs/dbraw/zinc/07/24/80/333072480.db2.gz GJUCCKQXZZPKNT-LLVKDONJSA-N 0 0 304.354 0.260 10 0 DCAERN CC(=O)c1cc(NC(=O)NC[C@H](C)S(N)(=O)=O)ccc1C ZINC000582131016 333137172 /nfs/dbraw/zinc/13/71/72/333137172.db2.gz UHKGHAYRSASRSO-VIFPVBQESA-N 0 0 313.379 0.996 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1N1C(=O)CN(C2CCC2)C1=O ZINC000583670817 336390780 /nfs/dbraw/zinc/39/07/80/336390780.db2.gz YNRWUZSGQNQGHE-CHWSQXEVSA-N 0 0 312.366 0.624 10 0 DCAERN O=C(CCn1cncn1)N1CCO[C@H](COc2ccccc2)C1 ZINC000583178798 337255700 /nfs/dbraw/zinc/25/57/00/337255700.db2.gz OHSLTKZULQXLSH-HNNXBMFYSA-N 0 0 316.361 0.975 10 0 DCAERN Cc1ccncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1 ZINC000584597030 337374347 /nfs/dbraw/zinc/37/43/47/337374347.db2.gz TYPPDRKNERPHMN-UHFFFAOYSA-N 0 0 316.346 0.885 10 0 DCAERN COc1cccc(-c2cnc(N)c(C(=O)NCCCO)n2)c1 ZINC000584662242 337378382 /nfs/dbraw/zinc/37/83/82/337378382.db2.gz UXHHMXUGHBUINF-UHFFFAOYSA-N 0 0 302.334 0.847 10 0 DCAERN Cc1oc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1S(=O)(=O)N(C)C ZINC000575738691 341801651 /nfs/dbraw/zinc/80/16/51/341801651.db2.gz BFXDJUZMYAXFEM-GDGBQDQQSA-N 0 0 314.363 0.213 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000577702648 341930134 /nfs/dbraw/zinc/93/01/34/341930134.db2.gz ZXZBSJVJVPNKDP-JTQLQIEISA-N 0 0 323.328 0.079 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)CC(F)(F)F)CCS1(=O)=O ZINC000155419703 533907290 /nfs/dbraw/zinc/90/72/90/533907290.db2.gz LBGHMIPSSLUBSH-QMMMGPOBSA-N 0 0 302.318 0.126 10 0 DCAERN COc1ccccc1NCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187301362 534185281 /nfs/dbraw/zinc/18/52/81/534185281.db2.gz IOMYONQMVOGOCU-ZDUSSCGKSA-N 0 0 307.394 0.632 10 0 DCAERN C/C=C/C[C@@H](CO)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000364276022 518526452 /nfs/dbraw/zinc/52/64/52/518526452.db2.gz XXFPBYHHBUTHIQ-LXYZTQFVSA-N 0 0 323.393 0.683 10 0 DCAERN CC(C)(CNC(=O)CN1CC(=O)NC1=O)c1cccc(F)c1 ZINC000118522844 519241503 /nfs/dbraw/zinc/24/15/03/519241503.db2.gz BSVJRVWZIXELPH-UHFFFAOYSA-N 0 0 307.325 0.771 10 0 DCAERN NC(=O)[C@@H](O)C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000299748096 534419912 /nfs/dbraw/zinc/41/99/12/534419912.db2.gz FZKXJZTWEHDXHM-ZDUSSCGKSA-N 0 0 308.382 0.785 10 0 DCAERN CC(=O)N1CCC(CNc2nc3c(cnn3C)c(N)n2)CC1 ZINC000195263809 519511672 /nfs/dbraw/zinc/51/16/72/519511672.db2.gz LAWBYLBOWTUSHK-UHFFFAOYSA-N 0 0 303.370 0.616 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cccnc1-n1cncn1 ZINC000364456934 519634673 /nfs/dbraw/zinc/63/46/73/519634673.db2.gz JAJQGEVMQBUWLX-LLVKDONJSA-N 0 0 318.362 0.522 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000191345570 519647283 /nfs/dbraw/zinc/64/72/83/519647283.db2.gz CHIAHKMBMVIUMA-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000191342931 519647803 /nfs/dbraw/zinc/64/78/03/519647803.db2.gz IFZQLOKGBVSAFT-UHFFFAOYSA-N 0 0 312.329 0.520 10 0 DCAERN CC(=O)NC1CN(C(=O)CSCC(=O)c2ccccc2)C1 ZINC000191507205 519647806 /nfs/dbraw/zinc/64/78/06/519647806.db2.gz ZUZPFTLIDGNLCT-UHFFFAOYSA-N 0 0 306.387 0.949 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000190526014 519648691 /nfs/dbraw/zinc/64/86/91/519648691.db2.gz SYDWVIPOMFQPNO-ZIAGYGMSSA-N 0 0 316.357 0.908 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O ZINC000267553800 519694263 /nfs/dbraw/zinc/69/42/63/519694263.db2.gz DTIJRBQJLVIJBV-QWHCGFSZSA-N 0 0 320.397 0.634 10 0 DCAERN CCCN1CCCN(C(=O)CNC(=O)c2ccccn2)CC1=O ZINC000188151883 519848800 /nfs/dbraw/zinc/84/88/00/519848800.db2.gz SSWMZIRLVVKNMP-UHFFFAOYSA-N 0 0 318.377 0.282 10 0 DCAERN CCCNC(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000132259978 519901729 /nfs/dbraw/zinc/90/17/29/519901729.db2.gz UCJHAHNDILCMHE-OAHLLOKOSA-N 0 0 319.405 0.887 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000156393518 534456461 /nfs/dbraw/zinc/45/64/61/534456461.db2.gz BSVJLAGUXDQHIF-NWDGAFQWSA-N 0 0 310.398 0.342 10 0 DCAERN O=C(NCCc1ccccc1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186835430 534482713 /nfs/dbraw/zinc/48/27/13/534482713.db2.gz NIZSBWBCNDAJKL-UHFFFAOYSA-N 0 0 310.313 0.996 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000189666972 520431715 /nfs/dbraw/zinc/43/17/15/520431715.db2.gz SKGQGPSXDCRZBI-NWDGAFQWSA-N 0 0 304.346 0.895 10 0 DCAERN CCOC(=O)C1(O)CCN(c2cc(C)nc(COC)n2)CC1 ZINC000266681313 520472356 /nfs/dbraw/zinc/47/23/56/520472356.db2.gz ALEMUPNEHYVPAU-UHFFFAOYSA-N 0 0 309.366 0.826 10 0 DCAERN CCOc1ccnc(N2CCN(C[C@@H](O)CSC)CC2)n1 ZINC000187881653 521597132 /nfs/dbraw/zinc/59/71/32/521597132.db2.gz KLKGNIRDXDBGGM-GFCCVEGCSA-N 0 0 312.439 0.721 10 0 DCAERN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000267589328 521712692 /nfs/dbraw/zinc/71/26/92/521712692.db2.gz KPHPKXHNAUTVAX-ZYHUDNBSSA-N 0 0 308.382 0.288 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135293043 521726402 /nfs/dbraw/zinc/72/64/02/521726402.db2.gz QIYVHGALPGPGTK-STQMWFEESA-N 0 0 317.393 0.430 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC000366392061 521740085 /nfs/dbraw/zinc/74/00/85/521740085.db2.gz PVGHNBHRZZNMDH-WCQYABFASA-N 0 0 310.398 0.468 10 0 DCAERN O=C(CNc1cc(N2CCC[C@@H]2CO)ncn1)NCC1CC1 ZINC000302079928 534599079 /nfs/dbraw/zinc/59/90/79/534599079.db2.gz XLGBNMBFZRXETH-GFCCVEGCSA-N 0 0 305.382 0.376 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)CCc1ncc(C)s1 ZINC000187865377 522195849 /nfs/dbraw/zinc/19/58/49/522195849.db2.gz NCZYNIXCXAKJHR-UHFFFAOYSA-N 0 0 320.440 0.185 10 0 DCAERN COC[C@@H](NC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000124133826 522321371 /nfs/dbraw/zinc/32/13/71/522321371.db2.gz UQKKOJCLFVRVLL-GFCCVEGCSA-N 0 0 303.318 0.908 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C)C(=O)N(C)CC ZINC000191045401 522509256 /nfs/dbraw/zinc/50/92/56/522509256.db2.gz ITWXIVHCMCOSGR-MNOVXSKESA-N 0 0 322.413 0.841 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000131260512 522554990 /nfs/dbraw/zinc/55/49/90/522554990.db2.gz WSBLZXXGFOLFLY-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN COCC(=O)N(C)CC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000158142596 522724423 /nfs/dbraw/zinc/72/44/23/522724423.db2.gz LVDGNDSUWOGUJH-CYBMUJFWSA-N 0 0 319.405 0.831 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@](C)(O)c2ccccc2)C1 ZINC000189171340 522755952 /nfs/dbraw/zinc/75/59/52/522755952.db2.gz BYDVSIZBCVKYAB-INIZCTEOSA-N 0 0 306.362 0.258 10 0 DCAERN CN(CCO)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188370002 522876432 /nfs/dbraw/zinc/87/64/32/522876432.db2.gz QOYUOKFSIDUFMU-ZDUSSCGKSA-N 0 0 309.341 0.560 10 0 DCAERN COC(=O)CC1(CC(=O)NC[C@@H]2CN(C)CCO2)CCCC1 ZINC000189199515 522925451 /nfs/dbraw/zinc/92/54/51/522925451.db2.gz MJIZJNYBJRGYCS-CYBMUJFWSA-N 0 0 312.410 0.947 10 0 DCAERN COCCC1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000156692368 523012609 /nfs/dbraw/zinc/01/26/09/523012609.db2.gz IXRCOJANCGXUPX-UHFFFAOYSA-N 0 0 312.391 0.767 10 0 DCAERN COC(=O)CCN1CCN(C(=O)CCc2ccnn2C)[C@@H](C)C1 ZINC000131359211 523076849 /nfs/dbraw/zinc/07/68/49/523076849.db2.gz CASWEVUNZXFAEP-ZDUSSCGKSA-N 0 0 322.409 0.449 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cn1 ZINC000190710883 523318049 /nfs/dbraw/zinc/31/80/49/523318049.db2.gz AIUMHWIWXATZJW-CYZMBNFOSA-N 0 0 319.361 0.886 10 0 DCAERN CO[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000364992138 523340388 /nfs/dbraw/zinc/34/03/88/523340388.db2.gz CFWWGBNEVLFKDY-NSHDSACASA-N 0 0 324.402 0.625 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)OC)C[C@]2(CCOC2)O1 ZINC000368609338 523412098 /nfs/dbraw/zinc/41/20/98/523412098.db2.gz XNKBTXGISCSUDB-FOCJUVANSA-N 0 0 311.378 0.982 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)cn1 ZINC000191111990 523463524 /nfs/dbraw/zinc/46/35/24/523463524.db2.gz POGOWBOJGNCUCL-YPMHNXCESA-N 0 0 323.397 0.463 10 0 DCAERN CCn1cc([C@H]2CN(C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764405 523481893 /nfs/dbraw/zinc/48/18/93/523481893.db2.gz ACTKTVDBOLTYIL-LSDHHAIUSA-N 0 0 305.382 0.534 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000247740773 523792369 /nfs/dbraw/zinc/79/23/69/523792369.db2.gz WWANKACQSPYSOH-AVGNSLFASA-N 0 0 309.366 0.850 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C ZINC000117296442 523841758 /nfs/dbraw/zinc/84/17/58/523841758.db2.gz ONAVYOBNAZCMPN-CYBMUJFWSA-N 0 0 313.442 0.718 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000246689419 534739367 /nfs/dbraw/zinc/73/93/67/534739367.db2.gz BLHPNRIZYTUFPZ-TZMCWYRMSA-N 0 0 307.398 0.867 10 0 DCAERN CCc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000191683526 523886314 /nfs/dbraw/zinc/88/63/14/523886314.db2.gz MQZNWMJDPMCDNM-LLVKDONJSA-N 0 0 312.391 0.718 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)CC[C@@H]1C ZINC000191300152 524004700 /nfs/dbraw/zinc/00/47/00/524004700.db2.gz NEWAVNLOQWHDGB-JQWIXIFHSA-N 0 0 321.377 0.516 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC1OCCCO1 ZINC000188968511 524009167 /nfs/dbraw/zinc/00/91/67/524009167.db2.gz RAGLSAJZEMWSQD-CQSZACIVSA-N 0 0 320.389 0.955 10 0 DCAERN Cc1ccc(C)c(CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000128028871 524091781 /nfs/dbraw/zinc/09/17/81/524091781.db2.gz ZEMGKIUSEOFLKV-INIZCTEOSA-N 0 0 306.406 0.655 10 0 DCAERN C[C@H]1CN(CCN2C(=O)c3ccccc3C2=O)CCS1(=O)=O ZINC000155658294 524597016 /nfs/dbraw/zinc/59/70/16/524597016.db2.gz HXGMDWDUSRMMRT-NSHDSACASA-N 0 0 322.386 0.402 10 0 DCAERN C[C@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000247036279 524664941 /nfs/dbraw/zinc/66/49/41/524664941.db2.gz KMNNSHBFEYTSNK-JOYOIKCWSA-N 0 0 300.355 0.471 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000249158631 524778255 /nfs/dbraw/zinc/77/82/55/524778255.db2.gz XUMQCSRMRXTRNJ-NEPJUHHUSA-N 0 0 308.378 0.928 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H](C(N)=O)O1 ZINC000157578110 524794048 /nfs/dbraw/zinc/79/40/48/524794048.db2.gz LYTTWCMUEDKOJT-SKDRFNHKSA-N 0 0 302.334 0.207 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000158815307 524815299 /nfs/dbraw/zinc/81/52/99/524815299.db2.gz NJEQELZERFCTKV-IUCAKERBSA-N 0 0 314.363 0.427 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@H](C(N)=O)O1 ZINC000364876567 524822548 /nfs/dbraw/zinc/82/25/48/524822548.db2.gz BQFXSQRWPMEJIW-FOUMNBMASA-N 0 0 311.382 0.228 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000157399482 524846619 /nfs/dbraw/zinc/84/66/19/524846619.db2.gz SOHLBBUUDLNFGJ-AAEUAGOBSA-N 0 0 313.361 0.984 10 0 DCAERN COc1ccsc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000157175828 524882076 /nfs/dbraw/zinc/88/20/76/524882076.db2.gz PQCVJNYXAGEBGO-VIFPVBQESA-N 0 0 306.409 0.366 10 0 DCAERN COc1ncc(NC(=O)c2cnn3c2CCCC3)cc1C(N)=O ZINC000127593950 525024877 /nfs/dbraw/zinc/02/48/77/525024877.db2.gz YEWYZLWVMDHQHH-UHFFFAOYSA-N 0 0 315.333 0.974 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@@H](C)O1 ZINC000249784941 525045795 /nfs/dbraw/zinc/04/57/95/525045795.db2.gz MADSKOBIBIKRAX-LBELIVKGSA-N 0 0 304.412 0.498 10 0 DCAERN Cc1ccccc1C(C)(C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000155321546 525069272 /nfs/dbraw/zinc/06/92/72/525069272.db2.gz VPPFWDIZVPQBCQ-LBPRGKRZSA-N 0 0 303.362 0.987 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000116833942 525213293 /nfs/dbraw/zinc/21/32/93/525213293.db2.gz DGJDNFKMBYZIEE-WCQYABFASA-N 0 0 324.402 0.703 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000116834419 525213950 /nfs/dbraw/zinc/21/39/50/525213950.db2.gz UWFDJLCGPVTCOX-ZDUSSCGKSA-N 0 0 322.386 0.613 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@H](C)CO ZINC000245671426 525236207 /nfs/dbraw/zinc/23/62/07/525236207.db2.gz FLNBCCIABLVACR-UTUOFQBUSA-N 0 0 323.397 0.232 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000154528147 525358286 /nfs/dbraw/zinc/35/82/86/525358286.db2.gz IKJROBXVZZBUMJ-OLZOCXBDSA-N 0 0 324.377 0.957 10 0 DCAERN C[S@](=O)CCC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000154483775 525380854 /nfs/dbraw/zinc/38/08/54/525380854.db2.gz NWRMLQOBZJCDMX-HXUWFJFHSA-N 0 0 302.440 0.326 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N(C)[C@H]2CCOC2)c1C ZINC000127343775 525428367 /nfs/dbraw/zinc/42/83/67/525428367.db2.gz JUFVEMDODCEUGA-NSHDSACASA-N 0 0 312.391 0.812 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245415475 525516793 /nfs/dbraw/zinc/51/67/93/525516793.db2.gz DHVXZZTVRKRDKR-QJPTWQEYSA-N 0 0 314.411 0.421 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000191091037 525571241 /nfs/dbraw/zinc/57/12/41/525571241.db2.gz DCNVDVYXSIVABA-GFCCVEGCSA-N 0 0 323.393 0.498 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)c2n1 ZINC000131526148 525619026 /nfs/dbraw/zinc/61/90/26/525619026.db2.gz HQRKHCRHGLMBIF-QWHCGFSZSA-N 0 0 313.361 0.921 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000156308078 525637965 /nfs/dbraw/zinc/63/79/65/525637965.db2.gz XMAXHVYOWZDXIO-QWRGUYRKSA-N 0 0 312.391 0.892 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116833723 525867559 /nfs/dbraw/zinc/86/75/59/525867559.db2.gz FIHAGGFORPFBDZ-LBPRGKRZSA-N 0 0 312.391 0.388 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(F)c1 ZINC000267283662 526125830 /nfs/dbraw/zinc/12/58/30/526125830.db2.gz XINGALVTEFQXDJ-SNVBAGLBSA-N 0 0 300.355 0.898 10 0 DCAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccco3)CCO2)c1 ZINC000188685065 526264763 /nfs/dbraw/zinc/26/47/63/526264763.db2.gz XDJOKQWNEGXNKN-GFCCVEGCSA-N 0 0 311.363 0.874 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 ZINC000330724311 526476717 /nfs/dbraw/zinc/47/67/17/526476717.db2.gz GOYDIWYFUNYGTG-UHFFFAOYSA-N 0 0 311.363 0.090 10 0 DCAERN O=C([C@H]1CCCS1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000266487416 526545301 /nfs/dbraw/zinc/54/53/01/526545301.db2.gz RMVIQKKNLBPZLS-LLVKDONJSA-N 0 0 318.406 0.669 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)C1 ZINC000176375803 526660585 /nfs/dbraw/zinc/66/05/85/526660585.db2.gz RAWKTEDIRJZYPT-JTQLQIEISA-N 0 0 303.318 0.938 10 0 DCAERN O=C(CNC(=O)CC1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112646817 526831406 /nfs/dbraw/zinc/83/14/06/526831406.db2.gz CXSNKKQTPRNSTI-CYBMUJFWSA-N 0 0 319.409 0.796 10 0 DCAERN O=C(CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CCCC1 ZINC000158045706 526837049 /nfs/dbraw/zinc/83/70/49/526837049.db2.gz VJBOWKYELDNDBF-CZUORRHYSA-N 0 0 309.410 0.945 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000173042960 526854727 /nfs/dbraw/zinc/85/47/27/526854727.db2.gz PKXTWFBBOCIUIV-CYBMUJFWSA-N 0 0 304.412 0.343 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189104077 526916921 /nfs/dbraw/zinc/91/69/21/526916921.db2.gz UGGNKYVJPWTYCT-YPMHNXCESA-N 0 0 312.333 0.817 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1nnc(-c2ccccc2)s1 ZINC000155763729 527014561 /nfs/dbraw/zinc/01/45/61/527014561.db2.gz SJGKKGHCPRTRFL-LLVKDONJSA-N 0 0 304.375 0.891 10 0 DCAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cnc2n(c1=O)CCS2 ZINC000225657257 527022173 /nfs/dbraw/zinc/02/21/73/527022173.db2.gz NTUXYXSPYZBWNM-KOLCDFICSA-N 0 0 309.391 0.630 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000189104118 527042437 /nfs/dbraw/zinc/04/24/37/527042437.db2.gz UGGNKYVJPWTYCT-AAEUAGOBSA-N 0 0 312.333 0.817 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000191641617 527072863 /nfs/dbraw/zinc/07/28/63/527072863.db2.gz HLELYPORHVEFSZ-WCQYABFASA-N 0 0 312.333 0.297 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000331315581 527137869 /nfs/dbraw/zinc/13/78/69/527137869.db2.gz IZUYQLQLZKKBGX-INIZCTEOSA-N 0 0 308.378 0.994 10 0 DCAERN O=S(=O)(C1CC1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000126756853 527162629 /nfs/dbraw/zinc/16/26/29/527162629.db2.gz ZLLUMBWUXMVWJU-JQWIXIFHSA-N 0 0 301.364 0.896 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000185550231 527198068 /nfs/dbraw/zinc/19/80/68/527198068.db2.gz IIEMDRTXYWUARQ-HNNXBMFYSA-N 0 0 308.309 0.782 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188021517 527218192 /nfs/dbraw/zinc/21/81/92/527218192.db2.gz HUVIIFHAMBNONZ-UHFFFAOYSA-N 0 0 320.324 0.286 10 0 DCAERN Cn1cc([C@@]2(C)NC(=O)N(C[C@H](O)C(F)(F)F)C2=O)cn1 ZINC000158334631 527313093 /nfs/dbraw/zinc/31/30/93/527313093.db2.gz GTPSCACMHSVONJ-OIBJUYFYSA-N 0 0 306.244 0.110 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)NCC1(CCO)CC1 ZINC000157692076 527407929 /nfs/dbraw/zinc/40/79/29/527407929.db2.gz CGCNPCCTJFETFA-UHFFFAOYSA-N 0 0 307.375 0.737 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172439070 527474931 /nfs/dbraw/zinc/47/49/31/527474931.db2.gz JEQMAYCYCQLMPP-YNEHKIRRSA-N 0 0 309.410 0.794 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000178129576 527476200 /nfs/dbraw/zinc/47/62/00/527476200.db2.gz BMPQOFBBEPOYAV-WCQYABFASA-N 0 0 307.394 0.513 10 0 DCAERN O=C(NC1CC1)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000162047777 527486706 /nfs/dbraw/zinc/48/67/06/527486706.db2.gz XJVSLKIJSJKAMU-GXFFZTMASA-N 0 0 310.300 0.878 10 0 DCAERN Cn1cnc2cc(C(=O)NCC(C)(C)N3CCOCC3)cnc21 ZINC000158357651 527498240 /nfs/dbraw/zinc/49/82/40/527498240.db2.gz IIWNQIITQCPRSN-UHFFFAOYSA-N 0 0 317.393 0.809 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157407191 527642668 /nfs/dbraw/zinc/64/26/68/527642668.db2.gz WXBVNMQXNSIVQM-RBZYPMLTSA-N 0 0 322.409 0.317 10 0 DCAERN CCOC(=O)[C@H](C)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000176421836 527950019 /nfs/dbraw/zinc/95/00/19/527950019.db2.gz LPHQIZYJFGIKFX-SECBINFHSA-N 0 0 303.318 0.852 10 0 DCAERN CC(C)[C@@H](O)CC(=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000158422856 528614298 /nfs/dbraw/zinc/61/42/98/528614298.db2.gz APFNTNZVGYFUFD-RYUDHWBXSA-N 0 0 300.424 0.821 10 0 DCAERN CCC1(CC)CN(C(=O)CN2CCCC2=O)CC[S@]1=O ZINC000186773706 529064878 /nfs/dbraw/zinc/06/48/78/529064878.db2.gz UYXFAKYXWXFDLK-FQEVSTJZSA-N 0 0 300.424 0.759 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000177706181 529135198 /nfs/dbraw/zinc/13/51/98/529135198.db2.gz QICAKOKSFDDMQF-UPJWGTAASA-N 0 0 324.425 0.729 10 0 DCAERN CCOc1ccc(CCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000285493691 535714354 /nfs/dbraw/zinc/71/43/54/535714354.db2.gz LTQXDJZZKILDRI-KRWDZBQOSA-N 0 0 320.389 0.857 10 0 DCAERN CN1CC[C@@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@@H]2C1 ZINC000285655334 536468772 /nfs/dbraw/zinc/46/87/72/536468772.db2.gz GEHCLZAJHOUAII-MNOVXSKESA-N 0 0 309.391 0.392 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)n1C ZINC000293549967 536613715 /nfs/dbraw/zinc/61/37/15/536613715.db2.gz RFBIWKFQLJOKJG-HNNXBMFYSA-N 0 0 308.334 0.443 10 0 DCAERN COCCOc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1 ZINC000284512782 536620711 /nfs/dbraw/zinc/62/07/11/536620711.db2.gz FEXYZFIJTQOYEP-DOMZBBRYSA-N 0 0 308.378 0.786 10 0 DCAERN COCC(=O)N1CCN(c2ccc3c(c2)OCO3)C(=O)[C@H]1C ZINC000037520471 536767891 /nfs/dbraw/zinc/76/78/91/536767891.db2.gz CNPQIQMITAQKGH-SNVBAGLBSA-N 0 0 306.318 0.625 10 0 DCAERN COCCn1cc(CN2C[C@H](OC)C[C@H]2c2nc[nH]n2)cn1 ZINC000284693201 536845672 /nfs/dbraw/zinc/84/56/72/536845672.db2.gz ZGBXSPBVQJBRAN-OLZOCXBDSA-N 0 0 306.370 0.610 10 0 DCAERN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(N)=O ZINC000078772350 545684218 /nfs/dbraw/zinc/68/42/18/545684218.db2.gz FUEYRSDSAQRKOE-SSDOTTSWSA-N 0 0 324.337 0.958 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000081471648 545694094 /nfs/dbraw/zinc/69/40/94/545694094.db2.gz XOEHXSPFQLAKLP-NSHDSACASA-N 0 0 309.288 0.221 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3cncnc3)CC2)n1 ZINC000121497266 545749881 /nfs/dbraw/zinc/74/98/81/545749881.db2.gz TWJLTPXLMUILAI-UHFFFAOYSA-N 0 0 300.366 0.988 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1 ZINC000151594262 545818327 /nfs/dbraw/zinc/81/83/27/545818327.db2.gz BWCDUIBGTYWTNY-QWHCGFSZSA-N 0 0 307.398 0.925 10 0 DCAERN CCOc1ccc(-n2ncc(C(=O)N3CC(O)C3)c2C)nn1 ZINC000156232359 545845792 /nfs/dbraw/zinc/84/57/92/545845792.db2.gz MJYYNSAUEBBDED-UHFFFAOYSA-N 0 0 303.322 0.186 10 0 DCAERN C[C@H](CNS(=O)(=O)CC[C@H]1CCCO1)N1CCOCC1 ZINC000157089911 545849855 /nfs/dbraw/zinc/84/98/55/545849855.db2.gz KGGSCUXUKYUTJS-CHWSQXEVSA-N 0 0 306.428 0.196 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000178120378 545893989 /nfs/dbraw/zinc/89/39/89/545893989.db2.gz WGAQRZPDRQUSOL-UHFFFAOYSA-N 0 0 315.373 0.804 10 0 DCAERN CC(=O)c1cn(Cc2nnc(C3CCC3)n2C)c(=O)n(C)c1=O ZINC000181126911 545902111 /nfs/dbraw/zinc/90/21/11/545902111.db2.gz DSJXCDZJOHVJKQ-UHFFFAOYSA-N 0 0 317.349 0.194 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnn2)C[C@@H]1N1CCOCC1 ZINC000182477258 545905133 /nfs/dbraw/zinc/90/51/33/545905133.db2.gz YBZOUQDRVFEYAP-KGLIPLIRSA-N 0 0 322.413 0.030 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)NCCCn1ccnn1 ZINC000182470412 545905352 /nfs/dbraw/zinc/90/53/52/545905352.db2.gz MTCVDXVRNOQAIY-GFCCVEGCSA-N 0 0 306.370 0.121 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188456258 545917393 /nfs/dbraw/zinc/91/73/93/545917393.db2.gz LFWNSKJFCHGMAR-LLVKDONJSA-N 0 0 308.407 0.925 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000188845407 545918089 /nfs/dbraw/zinc/91/80/89/545918089.db2.gz YTJWVZMWBFQTDI-UHFFFAOYSA-N 0 0 320.349 0.831 10 0 DCAERN CCN(CCCNC(=O)c1ccn(C)c1C)S(C)(=O)=O ZINC000195133730 545933358 /nfs/dbraw/zinc/93/33/58/545933358.db2.gz YGSWPFRCOKAYBG-UHFFFAOYSA-N 0 0 301.412 0.735 10 0 DCAERN O=C(NC[C@H]1CC[C@H](O)C1)Nc1cnn(-c2ncccn2)c1 ZINC000189703697 545921360 /nfs/dbraw/zinc/92/13/60/545921360.db2.gz JRPNXWJOSNOWKN-JQWIXIFHSA-N 0 0 302.338 0.945 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)NCCCN1CCCC1=O ZINC000192901771 545930257 /nfs/dbraw/zinc/93/02/57/545930257.db2.gz HGVDOIPPDMRANN-CYBMUJFWSA-N 0 0 322.409 0.452 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(N2CCCCC2)ncn1 ZINC000238869985 545960069 /nfs/dbraw/zinc/96/00/69/545960069.db2.gz MQZFPVPWYYGFEG-LLVKDONJSA-N 0 0 324.406 0.384 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000249602934 545972300 /nfs/dbraw/zinc/97/23/00/545972300.db2.gz YWAPZOHRKCEURY-RYUDHWBXSA-N 0 0 308.382 0.402 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000332866247 546064468 /nfs/dbraw/zinc/06/44/68/546064468.db2.gz SRBBULCKEVWYEF-IUODEOHRSA-N 0 0 321.469 0.720 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1=O ZINC000333554547 546085166 /nfs/dbraw/zinc/08/51/66/546085166.db2.gz VDWBYTJJPFFWFJ-HDINQQKLSA-N 0 0 303.362 0.994 10 0 DCAERN Cn1cc(C(=O)c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362674 546162313 /nfs/dbraw/zinc/16/23/13/546162313.db2.gz VPTBHACFDOOMBP-IAQYHMDHSA-N 0 0 317.349 0.960 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000380719915 546215581 /nfs/dbraw/zinc/21/55/81/546215581.db2.gz JINLGUGUBKXEMF-VHSXEESVSA-N 0 0 304.343 0.178 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1 ZINC000396710612 546223163 /nfs/dbraw/zinc/22/31/63/546223163.db2.gz NRVYNQLEFLQWFD-SNVBAGLBSA-N 0 0 304.318 0.912 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000401882753 546226539 /nfs/dbraw/zinc/22/65/39/546226539.db2.gz JAICYKZPFPBFJZ-NSHDSACASA-N 0 0 323.802 0.236 10 0 DCAERN CC(C)(C)OC(=O)N1CC(n2nccc2NS(N)(=O)=O)C1 ZINC000725258822 548748856 /nfs/dbraw/zinc/74/88/56/548748856.db2.gz DOCJWHHYJIKTCF-UHFFFAOYSA-N 0 0 317.371 0.290 10 0 DCAERN CCS(=O)(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725272986 548749999 /nfs/dbraw/zinc/74/99/99/548749999.db2.gz WXGAIUOCOZNYPJ-KOLCDFICSA-N 0 0 318.468 0.875 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccnc1Cl ZINC000125827002 660898452 /nfs/dbraw/zinc/89/84/52/660898452.db2.gz PLGOUKHBCUPTFN-JTQLQIEISA-N 0 0 314.773 0.550 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)cnn1-c1ccncc1 ZINC000888092917 661151779 /nfs/dbraw/zinc/15/17/79/661151779.db2.gz NEQCHCSEVCCDAR-HZMBPMFUSA-N 0 0 313.361 0.973 10 0 DCAERN CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2cnnn2C)cn1 ZINC000888095477 661166608 /nfs/dbraw/zinc/16/66/08/661166608.db2.gz ZAVYNGPQBGEXED-UONOGXRCSA-N 0 0 318.381 0.690 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cn1 ZINC000888098642 661177685 /nfs/dbraw/zinc/17/76/85/661177685.db2.gz JRMAABZVLPKICA-CHWSQXEVSA-N 0 0 312.391 0.598 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501529 661281903 /nfs/dbraw/zinc/28/19/03/661281903.db2.gz QUYZLRPXYQQXQN-QWRGUYRKSA-N 0 0 322.427 0.950 10 0 DCAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721534966 657573370 /nfs/dbraw/zinc/57/33/70/657573370.db2.gz CPFJKLSSOWVOAN-YTWAJWBKSA-N 0 0 304.412 0.373 10 0 DCAERN CCOC1CC(CC(=O)NCC2(S(N)(=O)=O)CCC2)C1 ZINC000721535504 657599763 /nfs/dbraw/zinc/59/97/63/657599763.db2.gz IGFWPWKVQAXGNJ-UHFFFAOYSA-N 0 0 304.412 0.519 10 0 DCAERN COC(=O)c1cc(NCC(C)(C)CS(C)(=O)=O)ncn1 ZINC000723873662 657691157 /nfs/dbraw/zinc/69/11/57/657691157.db2.gz CYVHBAZHAGFAMJ-UHFFFAOYSA-N 0 0 301.368 0.746 10 0 DCAERN CC[C@H]1OCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000234139816 657830548 /nfs/dbraw/zinc/83/05/48/657830548.db2.gz NZCMVBPWEFBZOW-NXEZZACHSA-N 0 0 318.420 0.827 10 0 DCAERN CNC(=O)CCCN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000254926969 657839585 /nfs/dbraw/zinc/83/95/85/657839585.db2.gz QSPFFVUFZHUCQF-LBPRGKRZSA-N 0 0 321.425 0.673 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccn2ccnc2c1 ZINC000178377510 657853548 /nfs/dbraw/zinc/85/35/48/657853548.db2.gz DPEHKQKZTBGYPY-LBPRGKRZSA-N 0 0 304.375 0.872 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NCc1nccn1CC(C)C ZINC000176035055 657869959 /nfs/dbraw/zinc/86/99/59/657869959.db2.gz MJUCUYVTWZRISG-UHFFFAOYSA-N 0 0 316.427 0.773 10 0 DCAERN CC(=O)NC[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)CCO1 ZINC000254955592 657930263 /nfs/dbraw/zinc/93/02/63/657930263.db2.gz MCIAMIFZSXLOHD-YYRKOSNBSA-N 0 0 324.402 0.824 10 0 DCAERN O=S(=O)(c1cccc2c1N=S=N2)N1CCOC[C@@H]1CO ZINC000168668838 657962458 /nfs/dbraw/zinc/96/24/58/657962458.db2.gz CFBSNPPVEYCCIR-QMMMGPOBSA-N 0 0 315.376 0.795 10 0 DCAERN C[C@H](C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C)S(C)(=O)=O ZINC000168768616 657990165 /nfs/dbraw/zinc/99/01/65/657990165.db2.gz AVXMJNLYDCOKJK-VHSXEESVSA-N 0 0 310.375 0.789 10 0 DCAERN O=C(COCC1CC1)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000176862801 658172243 /nfs/dbraw/zinc/17/22/43/658172243.db2.gz FJBFTFHKYFLZBO-UHFFFAOYSA-N 0 0 324.421 0.901 10 0 DCAERN C[C@H]1COC[C@H](C)N1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000077368597 658520670 /nfs/dbraw/zinc/52/06/70/658520670.db2.gz RCICUPUHLOGGSK-STQMWFEESA-N 0 0 312.410 0.898 10 0 DCAERN COCCOC[C@@H](O)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721413391 658603985 /nfs/dbraw/zinc/60/39/85/658603985.db2.gz UGEPTVSJPPSTNV-VHSXEESVSA-N 0 0 303.346 0.990 10 0 DCAERN NC(=O)[C@@H]1CCN1c1ccc(N)cc1I ZINC000757152671 658609424 /nfs/dbraw/zinc/60/94/24/658609424.db2.gz RNGXAKVEAZXNRC-VIFPVBQESA-N 0 0 317.130 0.937 10 0 DCAERN CS[C@@H]1CC[C@@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300678219 658665313 /nfs/dbraw/zinc/66/53/13/658665313.db2.gz UESIRVJUZLPMNS-OUAUKWLOSA-N 0 0 306.453 0.163 10 0 DCAERN Cc1nnc(COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1C ZINC000121356891 658665818 /nfs/dbraw/zinc/66/58/18/658665818.db2.gz CAWQTXLWOJGXKX-QMMMGPOBSA-N 0 0 320.271 0.578 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2cn(C)nc2C)C1=O ZINC000888075934 658707712 /nfs/dbraw/zinc/70/77/12/658707712.db2.gz BHZNLFQICAIYAH-ZDUSSCGKSA-N 0 0 308.382 0.372 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cnn(C)c2)C1 ZINC000888077749 658720615 /nfs/dbraw/zinc/72/06/15/658720615.db2.gz SEIOKXLHJGWVCE-MWLCHTKSSA-N 0 0 311.367 0.294 10 0 DCAERN O=C(C/C=C\c1ccccc1)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 ZINC000096859352 658746974 /nfs/dbraw/zinc/74/69/74/658746974.db2.gz HUJJMQVKDVSPTH-ZVSVUTOMSA-N 0 0 313.357 0.305 10 0 DCAERN CC(=O)CCN1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000177715640 658793687 /nfs/dbraw/zinc/79/36/87/658793687.db2.gz BGUYBLLHMKMCGF-UHFFFAOYSA-N 0 0 306.428 0.338 10 0 DCAERN Cc1nc2c(cnn2C)c(NCCCN2CCCS2(=O)=O)n1 ZINC000725791315 658910050 /nfs/dbraw/zinc/91/00/50/658910050.db2.gz LUBFEJOPNTWDND-UHFFFAOYSA-N 0 0 324.410 0.509 10 0 DCAERN CCCS(=O)(=O)CCN1CCOC[C@H]1c1nc(C)no1 ZINC000161037821 658961533 /nfs/dbraw/zinc/96/15/33/658961533.db2.gz YGADBRFTMSXNLS-NSHDSACASA-N 0 0 303.384 0.576 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)N1CCc2ccccc21 ZINC000180267789 658967643 /nfs/dbraw/zinc/96/76/43/658967643.db2.gz CNPGVZHQSZYCNF-RISCZKNCSA-N 0 0 303.362 0.150 10 0 DCAERN C[C@@H]1CN(Cn2ncn(C(C)(C)C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120215575 659056120 /nfs/dbraw/zinc/05/61/20/659056120.db2.gz QBSWUZFBAZYBQL-ZJUUUORDSA-N 0 0 313.427 0.701 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000093091830 659092799 /nfs/dbraw/zinc/09/27/99/659092799.db2.gz VWPGWJIXOPLIGR-MTJJXUSZSA-N 0 0 303.767 0.678 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000125378150 659170800 /nfs/dbraw/zinc/17/08/00/659170800.db2.gz XAROJPNJIQOFCZ-WCQYABFASA-N 0 0 313.361 0.993 10 0 DCAERN CC[C@H]1CC(=O)N(CN2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000185607670 659252971 /nfs/dbraw/zinc/25/29/71/659252971.db2.gz RCEHSPFHAIZKAA-ZDUSSCGKSA-N 0 0 319.409 0.823 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@@H](CO)C2)c1Cl ZINC000311404163 659285716 /nfs/dbraw/zinc/28/57/16/659285716.db2.gz IIPDEXNCGRHIIH-BDAKNGLRSA-N 0 0 307.803 0.903 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC000162627103 659417490 /nfs/dbraw/zinc/41/74/90/659417490.db2.gz XIFASRWGPCMDGE-AXFHLTTASA-N 0 0 303.380 0.221 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313687330 659425598 /nfs/dbraw/zinc/42/55/98/659425598.db2.gz OGWABJKRXREASY-CYBMUJFWSA-N 0 0 300.380 0.085 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(C)nc2Cl)C1 ZINC000193993780 659472654 /nfs/dbraw/zinc/47/26/54/659472654.db2.gz WFVKBVRVJNJYMC-UHFFFAOYSA-N 0 0 303.771 0.552 10 0 DCAERN C[C@H](Cn1cccn1)OC(=O)[C@@H]1COCCN1CC(F)F ZINC000194966332 659525193 /nfs/dbraw/zinc/52/51/93/659525193.db2.gz SVBXLZLGTCHESK-MNOVXSKESA-N 0 0 303.309 0.781 10 0 DCAERN CCc1cccc(OC(=O)CN2CCN(CC)C(=O)C2=O)c1 ZINC000069835787 665685581 /nfs/dbraw/zinc/68/55/81/665685581.db2.gz HRDMMVJWHPYTPS-UHFFFAOYSA-N 0 0 304.346 0.845 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc(Cc3ccccc3)no2)C1 ZINC000126117254 661437400 /nfs/dbraw/zinc/43/74/00/661437400.db2.gz SUPZWEPBBUBLBF-LBPRGKRZSA-N 0 0 307.375 0.590 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C ZINC000178726431 661519594 /nfs/dbraw/zinc/51/95/94/661519594.db2.gz SAHBLHABYIPLGH-ZDUSSCGKSA-N 0 0 319.340 0.907 10 0 DCAERN CCOCCOC[C@@H](O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000437177592 661605067 /nfs/dbraw/zinc/60/50/67/661605067.db2.gz AAPWUNHFEUZRHN-NSHDSACASA-N 0 0 322.365 0.410 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)O[C@H]2CCS(=O)(=O)C2)cn1 ZINC000726328914 661656481 /nfs/dbraw/zinc/65/64/81/661656481.db2.gz VERIDPOFABJTEK-JTQLQIEISA-N 0 0 314.363 0.551 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000726916603 661963414 /nfs/dbraw/zinc/96/34/14/661963414.db2.gz SRAVZRXMQQLKCS-RYUDHWBXSA-N 0 0 314.407 0.662 10 0 DCAERN COc1c(CN2CCN(Cc3nnc(C)[nH]3)CC2)c(C)nn1C ZINC000895265916 662158622 /nfs/dbraw/zinc/15/86/22/662158622.db2.gz CWTDHLAZIHONBB-UHFFFAOYSA-N 0 0 319.413 0.481 10 0 DCAERN CCCCc1noc([C@@H](C)OC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC000728319136 662377489 /nfs/dbraw/zinc/37/74/89/662377489.db2.gz ABSNQYFQHLCYKE-SECBINFHSA-N 0 0 322.321 0.979 10 0 DCAERN [NH3+][C@@]1(C(=O)[O-])CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000067786138 662887051 /nfs/dbraw/zinc/88/70/51/662887051.db2.gz NPPBSOUVTZUJRW-KRWDZBQOSA-N 0 0 319.405 0.507 10 0 DCAERN CC(C)[C@@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)N(C)C ZINC000729708686 662907638 /nfs/dbraw/zinc/90/76/38/662907638.db2.gz YGXJOHFGTJATQV-CQSZACIVSA-N 0 0 312.366 0.572 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)n[nH]1 ZINC000898181929 662942993 /nfs/dbraw/zinc/94/29/93/662942993.db2.gz CGSOOXJRVBJZKR-OLZOCXBDSA-N 0 0 307.398 0.823 10 0 DCAERN COC1(OC)CC2(CN(C(=O)[C@@H](C)NC(N)=O)[C@@H]2C(C)C)C1 ZINC000898358557 662950785 /nfs/dbraw/zinc/95/07/85/662950785.db2.gz CUKCPRXYCHSATP-GHMZBOCLSA-N 0 0 313.398 0.679 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000035149087 662982196 /nfs/dbraw/zinc/98/21/96/662982196.db2.gz FUNILHHUJYPJKZ-SNVBAGLBSA-N 0 0 300.384 0.268 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000344873292 663079010 /nfs/dbraw/zinc/07/90/10/663079010.db2.gz AJYSBBGQDSMOFC-UWVGGRQHSA-N 0 0 301.364 0.662 10 0 DCAERN C[C@H](O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000344895671 663080040 /nfs/dbraw/zinc/08/00/40/663080040.db2.gz XMOQHVBHNSMTQV-YUMQZZPRSA-N 0 0 300.336 0.179 10 0 DCAERN COCCOc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000344945129 663081046 /nfs/dbraw/zinc/08/10/46/663081046.db2.gz OSJVNFDHRHFARR-WDEREUQCSA-N 0 0 303.380 0.759 10 0 DCAERN COCCOc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000344945107 663081072 /nfs/dbraw/zinc/08/10/72/663081072.db2.gz OSJVNFDHRHFARR-GHMZBOCLSA-N 0 0 303.380 0.759 10 0 DCAERN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@]2(OC)CCOC2)C1 ZINC000898546069 663095043 /nfs/dbraw/zinc/09/50/43/663095043.db2.gz GNGDFXGPJZYFIO-GYSYKLTISA-N 0 0 303.330 0.542 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CCCC[C@@H]2CO)C1=O ZINC000901093251 663317182 /nfs/dbraw/zinc/31/71/82/663317182.db2.gz CCPNVSFIAGHBBY-OLZOCXBDSA-N 0 0 308.378 0.749 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCCC[C@@H]1C ZINC000031468266 663583244 /nfs/dbraw/zinc/58/32/44/663583244.db2.gz BQFSNXDKKSRJAW-LSDHHAIUSA-N 0 0 303.406 0.366 10 0 DCAERN COC(=O)CC(=O)NCc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC000907154581 663674191 /nfs/dbraw/zinc/67/41/91/663674191.db2.gz DNEYJBQGZJKORV-ZETCQYMHSA-N 0 0 320.271 0.897 10 0 DCAERN CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909187004 663784596 /nfs/dbraw/zinc/78/45/96/663784596.db2.gz WSFZGZUDJDDJKE-FPCVCCKLSA-N 0 0 315.373 0.931 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cc(C(F)(F)F)n[nH]1 ZINC000909187305 663784673 /nfs/dbraw/zinc/78/46/73/663784673.db2.gz SWGJHAPMOZFMCM-PMVVWTBXSA-N 0 0 315.255 0.729 10 0 DCAERN CNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000040331424 1157395342 /nfs/dbraw/zinc/39/53/42/1157395342.db2.gz LTVVRBFGYFQOJK-UHFFFAOYSA-N 0 0 310.785 0.426 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000040332566 1157395410 /nfs/dbraw/zinc/39/54/10/1157395410.db2.gz WJSMXEPIRUNDDP-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN O=C([C@H]1CCCN1c1ncccn1)N1CC[C@H](n2ccnn2)C1 ZINC000911822346 664112588 /nfs/dbraw/zinc/11/25/88/664112588.db2.gz PQMIFRVJCYKTKA-QWHCGFSZSA-N 0 0 313.365 0.511 10 0 DCAERN O=C(c1ccc(O[C@H]2CCOC2)cc1)N1CCOC[C@H]1CO ZINC000912424566 664174614 /nfs/dbraw/zinc/17/46/14/664174614.db2.gz GDMICXUEDKQOQA-HIFRSBDPSA-N 0 0 307.346 0.688 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCC(=O)OCc1ccccc1 ZINC000150908235 664212029 /nfs/dbraw/zinc/21/20/29/664212029.db2.gz UQSYGVUYRHFJJX-UHFFFAOYSA-N 0 0 315.329 0.597 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)CC1 ZINC000163629471 664242855 /nfs/dbraw/zinc/24/28/55/664242855.db2.gz RONMRHVSXXFUQU-HOCLYGCPSA-N 0 0 322.405 0.644 10 0 DCAERN CC1CC(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)C1 ZINC000913127275 664272553 /nfs/dbraw/zinc/27/25/53/664272553.db2.gz IXCNVSQBHHLYOJ-JXQTWKCFSA-N 0 0 314.451 0.754 10 0 DCAERN Cc1c[nH]c(CNC(=O)[C@H]2COCCN2C(=O)OC(C)(C)C)n1 ZINC000913211929 664292204 /nfs/dbraw/zinc/29/22/04/664292204.db2.gz SAUJYNCTZHOEPT-LLVKDONJSA-N 0 0 324.381 0.970 10 0 DCAERN CC1(C)CN(CN2C(=O)c3ccccc3C2=O)CCS1(=O)=O ZINC000151412296 664329494 /nfs/dbraw/zinc/32/94/94/664329494.db2.gz JZOJSPDDBYWSQS-UHFFFAOYSA-N 0 0 322.386 0.749 10 0 DCAERN Cc1noc(-c2cncn(CCC(=O)N3CCCC3)c2=O)n1 ZINC000222848753 664391920 /nfs/dbraw/zinc/39/19/20/664391920.db2.gz LCLYEICIGGJRCF-UHFFFAOYSA-N 0 0 303.322 0.614 10 0 DCAERN Cc1noc(-c2cnc(C)n(CCC(=O)N3CCCC3)c2=O)n1 ZINC000222854329 664392061 /nfs/dbraw/zinc/39/20/61/664392061.db2.gz CATULUKOFDTLNL-UHFFFAOYSA-N 0 0 317.349 0.923 10 0 DCAERN C[C@@H](O)CNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222868318 664392461 /nfs/dbraw/zinc/39/24/61/664392461.db2.gz JSVHXMIPPMBKNP-LLVKDONJSA-N 0 0 318.377 0.350 10 0 DCAERN CC(C)NC(=O)CNC(=O)c1nn2c(c1Cl)OCCC2 ZINC000223775524 664423649 /nfs/dbraw/zinc/42/36/49/664423649.db2.gz HLMWOEACMZARHI-UHFFFAOYSA-N 0 0 300.746 0.573 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)OCCCC(F)(F)F)nn1 ZINC000157418380 664470526 /nfs/dbraw/zinc/47/05/26/664470526.db2.gz RIZDFVWOOYXMNR-UHFFFAOYSA-N 0 0 308.260 0.866 10 0 DCAERN CCC[C@@H](OC)c1noc(C[C@@H]2CS(=O)(=O)CCN2)n1 ZINC000227316382 664533065 /nfs/dbraw/zinc/53/30/65/664533065.db2.gz BWXRDOFTXSGPJV-NXEZZACHSA-N 0 0 303.384 0.486 10 0 DCAERN Cc1nn2cc(CCCOC(=O)[C@@H]3CNC(=O)C3)cnc2c1C ZINC000171574844 664610328 /nfs/dbraw/zinc/61/03/28/664610328.db2.gz LRCOKWKAYMLCAM-ZDUSSCGKSA-N 0 0 316.361 0.958 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2cnn(-c3ccccc3)n2)n1 ZINC000172684226 664624267 /nfs/dbraw/zinc/62/42/67/664624267.db2.gz NAWBMZBRIMDMIU-UHFFFAOYSA-N 0 0 311.301 0.659 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000172753692 664624754 /nfs/dbraw/zinc/62/47/54/664624754.db2.gz VGELXTVJSPSGMT-QWRGUYRKSA-N 0 0 304.350 0.842 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(C)C ZINC000730307206 664681851 /nfs/dbraw/zinc/68/18/51/664681851.db2.gz ARQRGOBBPIMZHX-ONGXEEELSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCCC[C@H]1C ZINC000730307792 664682038 /nfs/dbraw/zinc/68/20/38/664682038.db2.gz CRTCQQMXMCFLAK-PWSUYJOCSA-N 0 0 314.407 0.852 10 0 DCAERN Cc1nc(C)c(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000313163545 664741356 /nfs/dbraw/zinc/74/13/56/664741356.db2.gz IFVCSOISAYQZGA-JTQLQIEISA-N 0 0 317.436 0.153 10 0 DCAERN CC(C)[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)NC(N)=O ZINC000730636557 664798739 /nfs/dbraw/zinc/79/87/39/664798739.db2.gz IWLQUTICZVKQGH-CYBMUJFWSA-N 0 0 318.333 0.799 10 0 DCAERN CCCCCCOCC(=O)N1CCN(C(=O)COC)CC1 ZINC000730771578 664805878 /nfs/dbraw/zinc/80/58/78/664805878.db2.gz BHLAXONWDVPUPS-UHFFFAOYSA-N 0 0 300.399 0.901 10 0 DCAERN C[C@@H](OC(=O)C1=COCCC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000730852921 664821154 /nfs/dbraw/zinc/82/11/54/664821154.db2.gz VPPKGATWNSBURH-MRVPVSSYSA-N 0 0 317.305 0.917 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](CO)c1cccc(F)c1 ZINC000741423079 664841785 /nfs/dbraw/zinc/84/17/85/664841785.db2.gz RDZINAONHHHTDF-ODXCJYRJSA-N 0 0 302.371 0.927 10 0 DCAERN CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC000732360468 664919334 /nfs/dbraw/zinc/91/93/34/664919334.db2.gz GIJFDAWXLHPXKB-NSHDSACASA-N 0 0 305.290 0.052 10 0 DCAERN C[C@@H](COC(=O)Cn1ncn(C)c1=O)COc1ccccc1 ZINC000154116135 665080989 /nfs/dbraw/zinc/08/09/89/665080989.db2.gz DJUGWYCCYXWGJM-GFCCVEGCSA-N 0 0 305.334 0.840 10 0 DCAERN Cn1c(C(=O)NCCS(N)(=O)=O)ccc1-c1ccccc1 ZINC000175490276 665326613 /nfs/dbraw/zinc/32/66/13/665326613.db2.gz CXGSNWZMKMZOOO-UHFFFAOYSA-N 0 0 307.375 0.710 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)c1ccccc1F ZINC000175579418 665329510 /nfs/dbraw/zinc/32/95/10/665329510.db2.gz UDRGZMJORYXAJF-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN COCC(=O)N(C)CC(=O)OC1CCN(CC(F)F)CC1 ZINC000183970239 666161070 /nfs/dbraw/zinc/16/10/70/666161070.db2.gz JPORYMCDMIKCQE-UHFFFAOYSA-N 0 0 308.325 0.364 10 0 DCAERN CCOCCCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255002748 666206146 /nfs/dbraw/zinc/20/61/46/666206146.db2.gz UKDXIWRTKYXUML-FPLPWBNLSA-N 0 0 310.350 0.457 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nccc(C(F)F)n1 ZINC000360705630 666512627 /nfs/dbraw/zinc/51/26/27/666512627.db2.gz RBWOBVKHAAOVQJ-SECBINFHSA-N 0 0 316.333 0.952 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000073004028 666539797 /nfs/dbraw/zinc/53/97/97/666539797.db2.gz GETZMKDIEVLWOV-MRXNPFEDSA-N 0 0 317.389 0.166 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000701239184 666819530 /nfs/dbraw/zinc/81/95/30/666819530.db2.gz DMXNWZRHAFLCMF-MWODSPESSA-N 0 0 302.396 0.564 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)c1cccs1 ZINC000733877936 666823291 /nfs/dbraw/zinc/82/32/91/666823291.db2.gz CGXOANDRCAKAPN-IBGZPJMESA-N 0 0 302.421 0.753 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000733883257 666824202 /nfs/dbraw/zinc/82/42/02/666824202.db2.gz YHZNWPLSYAGBBJ-GOSISDBHSA-N 0 0 303.405 0.589 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000733883321 666824023 /nfs/dbraw/zinc/82/40/23/666824023.db2.gz ZIGUCWAWSADGLI-LXGOIASLSA-N 0 0 317.436 0.732 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CCNC(=O)c1ccsc1 ZINC000701243707 666824122 /nfs/dbraw/zinc/82/41/22/666824122.db2.gz PCQGDMSZEAFGCZ-VIFPVBQESA-N 0 0 300.380 0.992 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cn(C)nc1-c1ccncc1 ZINC000733960559 666832330 /nfs/dbraw/zinc/83/23/30/666832330.db2.gz YGNSWFALCCXKEL-NRFANRHFSA-N 0 0 306.391 0.981 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cn(C)nc1-c1cccnc1 ZINC000733963350 666832788 /nfs/dbraw/zinc/83/27/88/666832788.db2.gz FCLAQZIYPGSDNW-OAQYLSRUSA-N 0 0 306.391 0.981 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)NCC[S@@](=O)CC)cc1 ZINC000733964727 666832972 /nfs/dbraw/zinc/83/29/72/666832972.db2.gz UOUMVTCPMAAQKM-NRFANRHFSA-N 0 0 308.403 0.987 10 0 DCAERN CC[S@@](=O)CCNC(=O)CSc1nncn1C(C)C ZINC000733966749 666833196 /nfs/dbraw/zinc/83/31/96/666833196.db2.gz TVJFUEWGOVIXQD-LJQANCHMSA-N 0 0 304.441 0.836 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000734358032 666870690 /nfs/dbraw/zinc/87/06/90/666870690.db2.gz NJDIQEHUHGZXMJ-FQEVSTJZSA-N 0 0 300.355 0.440 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000701795606 666877018 /nfs/dbraw/zinc/87/70/18/666877018.db2.gz NEBGTNARGDJIQY-CMPLNLGQSA-N 0 0 322.365 0.434 10 0 DCAERN CCCNC(=O)CN(CCC)C(=O)NCC[S@@](=O)CC ZINC000735113519 666955505 /nfs/dbraw/zinc/95/55/05/666955505.db2.gz ZHOJZSZLNZNJPT-FQEVSTJZSA-N 0 0 305.444 0.703 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000702431086 666956385 /nfs/dbraw/zinc/95/63/85/666956385.db2.gz RKTBPYDJCJZNOY-JXQTWKCFSA-N 0 0 305.378 0.425 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000735200683 666968393 /nfs/dbraw/zinc/96/83/93/666968393.db2.gz RINQHEBHGJOUKM-OAQYLSRUSA-N 0 0 316.354 0.658 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=S)NCc2ccccc2)CCO1 ZINC000735419878 666985596 /nfs/dbraw/zinc/98/55/96/666985596.db2.gz PZBBOZJPHCBLKR-AWEZNQCLSA-N 0 0 307.419 0.898 10 0 DCAERN Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC000702815889 666998687 /nfs/dbraw/zinc/99/86/87/666998687.db2.gz ALUDOJDVXFVSTL-JQWIXIFHSA-N 0 0 324.381 0.378 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cncnc2)[C@H](O)C1 ZINC000702818501 666999788 /nfs/dbraw/zinc/99/97/88/666999788.db2.gz JSOWCVOBKKJNIV-VXGBXAGGSA-N 0 0 322.365 0.434 10 0 DCAERN Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000702820717 667000267 /nfs/dbraw/zinc/00/02/67/667000267.db2.gz WNGQCNHBGNFUII-PWSUYJOCSA-N 0 0 324.381 0.378 10 0 DCAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCNC(N)=O ZINC000735809564 667039090 /nfs/dbraw/zinc/03/90/90/667039090.db2.gz MUPDSPLQRQXQKW-CQSZACIVSA-N 0 0 316.361 0.735 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1ccnc(-n2ccnc2)c1 ZINC000118989141 667051982 /nfs/dbraw/zinc/05/19/82/667051982.db2.gz YEJUWEGTRUIEAG-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2c[nH]nc2C2CC2)cn1 ZINC000862922968 667092625 /nfs/dbraw/zinc/09/26/25/667092625.db2.gz JYNKHQWTLDGNSO-QWHCGFSZSA-N 0 0 317.349 0.597 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000736274150 667136567 /nfs/dbraw/zinc/13/65/67/667136567.db2.gz RKUSELIMUSBRJK-RYUDHWBXSA-N 0 0 314.407 0.850 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCC(F)(F)F)c(=O)n(C)c1=O ZINC000119479523 667146386 /nfs/dbraw/zinc/14/63/86/667146386.db2.gz DFOCKGJNRNTYET-ONEGZZNKSA-N 0 0 306.240 0.593 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@H]2c2ccccc2)C[C@H](C(N)=O)O1 ZINC000120178962 667275320 /nfs/dbraw/zinc/27/53/20/667275320.db2.gz RIRHYDRCQIVIHY-KWCYVHTRSA-N 0 0 303.362 0.492 10 0 DCAERN Cc1ccc2oc(=O)n(CN3C[C@@H](C)O[C@H](C(N)=O)C3)c2c1 ZINC000120265832 667290030 /nfs/dbraw/zinc/29/00/30/667290030.db2.gz FQISPNDCJBBFNP-MFKMUULPSA-N 0 0 305.334 0.435 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000015579321 667318137 /nfs/dbraw/zinc/31/81/37/667318137.db2.gz WBYQJACFABZERY-LBPRGKRZSA-N 0 0 324.402 0.896 10 0 DCAERN CC(C)OC(=O)[C@@H](C)N(C)Cn1nc(CO)n(C)c1=S ZINC000120590065 667328258 /nfs/dbraw/zinc/32/82/58/667328258.db2.gz MUSUDPHPHHKIQR-SECBINFHSA-N 0 0 302.400 0.673 10 0 DCAERN C[C@@H]1CN(CCCNC(=O)C(F)(F)F)CCS1(=O)=O ZINC000120645651 667335270 /nfs/dbraw/zinc/33/52/70/667335270.db2.gz XUFBXLQLAZJESP-MRVPVSSYSA-N 0 0 302.318 0.174 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC(OC(C)(C)C)C1 ZINC000707317820 667437806 /nfs/dbraw/zinc/43/78/06/667437806.db2.gz BNRFPUVVCVWOTM-UHFFFAOYSA-N 0 0 308.400 0.225 10 0 DCAERN Cn1cc(Br)c(CNC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC000708399976 667442930 /nfs/dbraw/zinc/44/29/30/667442930.db2.gz IRUYQKRCZBZZAU-UHFFFAOYSA-N 0 0 314.143 0.552 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000134007738 667503532 /nfs/dbraw/zinc/50/35/32/667503532.db2.gz HSEOXYBBGMWZJL-UHFFFAOYSA-N 0 0 314.349 0.867 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)c2ccc(C(N)=S)cc2)C1 ZINC000134706207 667551466 /nfs/dbraw/zinc/55/14/66/667551466.db2.gz XVRNAAHJASTCPP-ZDUSSCGKSA-N 0 0 307.419 0.771 10 0 DCAERN CCN1CC[C@@H]1CNC(=O)c1c(Br)nnn1C ZINC000712313603 667626693 /nfs/dbraw/zinc/62/66/93/667626693.db2.gz IXQQQTWCAFQSLR-SSDOTTSWSA-N 0 0 302.176 0.402 10 0 DCAERN CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)Cn2cccn2)C1 ZINC000886031146 667725994 /nfs/dbraw/zinc/72/59/94/667725994.db2.gz VZZXKGVZXNBKRB-DZGCQCFKSA-N 0 0 316.361 0.973 10 0 DCAERN CC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)CC[C@@H]1C(F)(F)F ZINC000886051586 667727315 /nfs/dbraw/zinc/72/73/15/667727315.db2.gz HWTUFHVVONKEPT-JGVFFNPUSA-N 0 0 305.260 0.476 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CC(F)(F)C(F)(F)C1 ZINC000886078473 667729514 /nfs/dbraw/zinc/72/95/14/667729514.db2.gz UQUPCGUPXDNZLU-QMMMGPOBSA-N 0 0 312.263 0.473 10 0 DCAERN O=C([C@@H]1CCCO[C@H]1c1cn[nH]c1)N1CC(=O)N(C2CC2)C1 ZINC000886078241 667729537 /nfs/dbraw/zinc/72/95/37/667729537.db2.gz QQORTVDDBNIFGX-OCCSQVGLSA-N 0 0 304.350 0.668 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2C)C[C@H]1c1cn(C)nn1 ZINC000886084691 667730199 /nfs/dbraw/zinc/73/01/99/667730199.db2.gz ABAPNZLJUBFDNT-WCQYABFASA-N 0 0 317.349 0.479 10 0 DCAERN COc1nccnc1CN1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091794 667730967 /nfs/dbraw/zinc/73/09/67/667730967.db2.gz WZDUDHATNRASOX-HNNXBMFYSA-N 0 0 319.365 0.746 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCCn3nccc32)C1=O ZINC000886088492 667731049 /nfs/dbraw/zinc/73/10/49/667731049.db2.gz HRLQKPFFVATFFL-LBPRGKRZSA-N 0 0 306.366 0.647 10 0 DCAERN CCc1[nH]ccc1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886095190 667731404 /nfs/dbraw/zinc/73/14/04/667731404.db2.gz NLCGLGBEOXWWAJ-MRXNPFEDSA-N 0 0 317.393 0.915 10 0 DCAERN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCCOCCO)c1 ZINC000740209122 667736756 /nfs/dbraw/zinc/73/67/56/667736756.db2.gz BLPDXSLDYBNQEB-UHFFFAOYSA-N 0 0 324.333 0.769 10 0 DCAERN CN1CC[C@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355915 667743892 /nfs/dbraw/zinc/74/38/92/667743892.db2.gz HYEJHLVPQVHPKC-VIFPVBQESA-N 0 0 314.798 0.970 10 0 DCAERN CCOc1ccc(F)c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1N ZINC000741041110 667757486 /nfs/dbraw/zinc/75/74/86/667757486.db2.gz OQIMSEDTHPWCNQ-ZCFIWIBFSA-N 0 0 313.285 0.547 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1cnn(C)c1 ZINC000741305763 667767054 /nfs/dbraw/zinc/76/70/54/667767054.db2.gz RJTWSGGULKSLGV-NSHDSACASA-N 0 0 315.329 0.965 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000741424111 667771062 /nfs/dbraw/zinc/77/10/62/667771062.db2.gz YQBMXFDXEKSZEA-JOCHJYFZSA-N 0 0 324.450 0.677 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000888547164 667783958 /nfs/dbraw/zinc/78/39/58/667783958.db2.gz JYKTVYQFUXCDMN-GHMZBOCLSA-N 0 0 319.369 0.414 10 0 DCAERN O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000123454179 667787202 /nfs/dbraw/zinc/78/72/02/667787202.db2.gz UZXDARSVIOKTTE-NWDGAFQWSA-N 0 0 302.330 0.719 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](CO)C1CCC1 ZINC000717596198 667869124 /nfs/dbraw/zinc/86/91/24/667869124.db2.gz TWFAIWQTYHRAKF-GHMZBOCLSA-N 0 0 307.437 0.184 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccn2ccccc12 ZINC000828589487 668140124 /nfs/dbraw/zinc/14/01/24/668140124.db2.gz NEENOKYQJFPSBW-ZDUSSCGKSA-N 0 0 303.362 0.362 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000123578198 668144624 /nfs/dbraw/zinc/14/46/24/668144624.db2.gz ZXCOYKDKLSIQSG-WCBMZHEXSA-N 0 0 316.379 0.857 10 0 DCAERN COc1ccc(C)cc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126444450 668596565 /nfs/dbraw/zinc/59/65/65/668596565.db2.gz GGDHRYZQRFAOTP-LLVKDONJSA-N 0 0 312.391 0.719 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc(F)cc1F ZINC000126456033 668598435 /nfs/dbraw/zinc/59/84/35/668598435.db2.gz YOBWNUTYZLMBBK-VIFPVBQESA-N 0 0 304.318 0.680 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)O1 ZINC000128120953 669144696 /nfs/dbraw/zinc/14/46/96/669144696.db2.gz JCORQSSGFFBWSJ-PELKAZGASA-N 0 0 318.333 0.478 10 0 DCAERN CC(C)(C)n1cc(CN2CCC[C@@](O)(c3cn[nH]n3)C2)nn1 ZINC000794010150 669766377 /nfs/dbraw/zinc/76/63/77/669766377.db2.gz QDOHVRJEFLOKES-AWEZNQCLSA-N 0 0 305.386 0.635 10 0 DCAERN COC(=O)c1cn(CN2CCN(c3ccccc3O)CC2)nn1 ZINC000042081546 669826243 /nfs/dbraw/zinc/82/62/43/669826243.db2.gz NJXQYBVPQTUFAY-UHFFFAOYSA-N 0 0 317.349 0.550 10 0 DCAERN C[C@H](OC(=O)Cn1ncn(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000157790063 669923157 /nfs/dbraw/zinc/92/31/57/669923157.db2.gz UYMASDXHZSUZMK-VIFPVBQESA-N 0 0 306.278 0.794 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000191022239 669964262 /nfs/dbraw/zinc/96/42/62/669964262.db2.gz YPBRHLHVVATOCB-HUUCEWRRSA-N 0 0 322.430 0.936 10 0 DCAERN CC(C)CC(=O)N1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000075033272 669973864 /nfs/dbraw/zinc/97/38/64/669973864.db2.gz KCPIVBDFZNUHIX-UHFFFAOYSA-N 0 0 306.366 0.903 10 0 DCAERN CC1(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)OCCCO1 ZINC000191134895 669982586 /nfs/dbraw/zinc/98/25/86/669982586.db2.gz HYRYAYXVAHGAQL-ZDUSSCGKSA-N 0 0 310.394 0.904 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000191346872 670008464 /nfs/dbraw/zinc/00/84/64/670008464.db2.gz UXZDXAWENBLZJX-UHFFFAOYSA-N 0 0 304.350 0.038 10 0 DCAERN CC(C)C[C@@H]1NC(=O)N(CN2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000191423113 670021178 /nfs/dbraw/zinc/02/11/78/670021178.db2.gz ZBNLYGUZXFNKGC-JOYOIKCWSA-N 0 0 323.315 0.910 10 0 DCAERN C[C@](O)(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccccc1 ZINC000189608599 670133163 /nfs/dbraw/zinc/13/31/63/670133163.db2.gz GKSRKJLPPZGLKU-KRWDZBQOSA-N 0 0 324.340 0.956 10 0 DCAERN Cn1cc(CN2CCN3C(=O)CC[C@@H]3C2)c(Br)n1 ZINC000713879290 670168438 /nfs/dbraw/zinc/16/84/38/670168438.db2.gz FBJLYKGCGZRUCQ-SNVBAGLBSA-N 0 0 313.199 0.989 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000713991171 670173392 /nfs/dbraw/zinc/17/33/92/670173392.db2.gz XEAFWNVQFGHMOA-UHFFFAOYSA-N 0 0 320.773 0.959 10 0 DCAERN Cc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)cc1Cl ZINC000714258070 670182864 /nfs/dbraw/zinc/18/28/64/670182864.db2.gz MIYPNFPTOBCPCC-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714256167 670182899 /nfs/dbraw/zinc/18/28/99/670182899.db2.gz BHVRKNQLSAIWSY-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000714412718 670185964 /nfs/dbraw/zinc/18/59/64/670185964.db2.gz KIRGMCLZXQOJDY-UHFFFAOYSA-N 0 0 303.112 0.137 10 0 DCAERN COC(=O)C1(O)CN(Cc2cncc(Br)c2)C1 ZINC000714472809 670189484 /nfs/dbraw/zinc/18/94/84/670189484.db2.gz OPOWXMGNKSISIB-UHFFFAOYSA-N 0 0 301.140 0.564 10 0 DCAERN CCNS(=O)(=O)NCc1ncc(Br)s1 ZINC000714652218 670192595 /nfs/dbraw/zinc/19/25/95/670192595.db2.gz DWNABKVNDWDZGP-UHFFFAOYSA-N 0 0 300.203 0.850 10 0 DCAERN CCO[C@@H]1C[C@@H]1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000193180655 670250295 /nfs/dbraw/zinc/25/02/95/670250295.db2.gz MFDRXBSYLJWGCE-MWLCHTKSSA-N 0 0 306.322 0.098 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000803763373 670264830 /nfs/dbraw/zinc/26/48/30/670264830.db2.gz TTZJJHNBQSEVMR-UDSFMNFJSA-N 0 0 301.306 0.519 10 0 DCAERN COc1ccc(C(=O)NCC(=O)OCc2cnn(C)c2)cc1 ZINC000193815233 670358376 /nfs/dbraw/zinc/35/83/76/670358376.db2.gz KZCBSJSNXPAGEG-UHFFFAOYSA-N 0 0 303.318 0.902 10 0 DCAERN CCNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000082238164 670471233 /nfs/dbraw/zinc/47/12/33/670471233.db2.gz KGBVSGHYUPVKQP-UHFFFAOYSA-N 0 0 307.169 0.846 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112299972 670580310 /nfs/dbraw/zinc/58/03/10/670580310.db2.gz AJBAPIWYZDUDJV-DGIBIBHMSA-N 0 0 306.453 0.571 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCN1CCCCC1=O ZINC000107025362 670586257 /nfs/dbraw/zinc/58/62/57/670586257.db2.gz FVXLIMDWYQFKJL-LLVKDONJSA-N 0 0 308.334 0.954 10 0 DCAERN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000109220343 670903755 /nfs/dbraw/zinc/90/37/55/670903755.db2.gz ULDCJMIKYPJROO-KGLIPLIRSA-N 0 0 316.357 0.857 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCC[S@](C)=O ZINC000116901779 671137850 /nfs/dbraw/zinc/13/78/50/671137850.db2.gz YINOGQYGXLKKBX-QGZVFWFLSA-N 0 0 313.832 0.429 10 0 DCAERN CCNC(=O)NCCCOC(=O)c1cnn2ccc(C)nc12 ZINC000105555036 672185404 /nfs/dbraw/zinc/18/54/04/672185404.db2.gz QNKCNJZBUUKRRO-UHFFFAOYSA-N 0 0 305.338 0.904 10 0 DCAERN COCCN([C@@H](C)C(N)=O)S(=O)(=O)/C=C/c1ccccc1 ZINC000106230573 672301201 /nfs/dbraw/zinc/30/12/01/672301201.db2.gz CYJYZQCFJFOJLI-OBIHZWKSSA-N 0 0 312.391 0.809 10 0 DCAERN CCS(=O)(=O)NCCNCc1ccsc1C(=O)OC ZINC000390121762 685259055 /nfs/dbraw/zinc/25/90/55/685259055.db2.gz XVAMMFBJBFEFEX-UHFFFAOYSA-N 0 0 306.409 0.564 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2CSC2)C1 ZINC000718450083 685305478 /nfs/dbraw/zinc/30/54/78/685305478.db2.gz VCIIYZUIHFOPEH-ONGXEEELSA-N 0 0 316.423 0.693 10 0 DCAERN CO[C@]1(CNS(=O)(=O)c2c(C)n[nH]c2C)CCSC1 ZINC000719221159 685309472 /nfs/dbraw/zinc/30/94/72/685309472.db2.gz LFHIWMBMDKGMBW-NSHDSACASA-N 0 0 305.425 0.827 10 0 DCAERN CO[C@@]1(CNCc2cnn(C)c2Cl)CCS(=O)(=O)C1 ZINC000721234498 685318261 /nfs/dbraw/zinc/31/82/61/685318261.db2.gz JIUVYJVJPRJGMN-LLVKDONJSA-N 0 0 307.803 0.367 10 0 DCAERN O=S1(=O)CCNC[C@@H]1Cc1nc([C@H]2CCCCS2)no1 ZINC000725016928 685319996 /nfs/dbraw/zinc/31/99/96/685319996.db2.gz RQYNKELHDLDLRQ-VHSXEESVSA-N 0 0 317.436 0.957 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CCN(c3cccnn3)CC2)C1 ZINC000083109440 685084833 /nfs/dbraw/zinc/08/48/33/685084833.db2.gz UXCBFPGKYWPLCB-MRXNPFEDSA-N 0 0 319.409 0.441 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000135369426 685121511 /nfs/dbraw/zinc/12/15/11/685121511.db2.gz JEEXSBFLFYMMQM-NXBBGVRRSA-N 0 0 317.389 0.830 10 0 DCAERN CCN1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000190647171 685153715 /nfs/dbraw/zinc/15/37/15/685153715.db2.gz YLBOTTQKOZZVAL-UHFFFAOYSA-N 0 0 317.298 0.544 10 0 DCAERN CCS(=O)(=O)CCN(C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245616332 685158213 /nfs/dbraw/zinc/15/82/13/685158213.db2.gz DAPBXBUHGGFZHI-VXGBXAGGSA-N 0 0 314.407 0.262 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000248827685 685177093 /nfs/dbraw/zinc/17/70/93/685177093.db2.gz HLRGBOKTVOLJCI-GHMZBOCLSA-N 0 0 302.396 0.096 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000249502005 685180932 /nfs/dbraw/zinc/18/09/32/685180932.db2.gz JCJOTYLYSJZRKK-WFASDCNBSA-N 0 0 308.378 0.254 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000283529531 685200749 /nfs/dbraw/zinc/20/07/49/685200749.db2.gz GIYHRVFLKFPNNU-UONOGXRCSA-N 0 0 318.377 0.839 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000380986835 685238930 /nfs/dbraw/zinc/23/89/30/685238930.db2.gz DJLVVUBIXUIFMR-SSDOTTSWSA-N 0 0 317.187 0.811 10 0 DCAERN COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000381962715 685239545 /nfs/dbraw/zinc/23/95/45/685239545.db2.gz HOWOOBDEWUBSFG-HZPDHXFCSA-N 0 0 321.421 0.367 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000381609928 685239982 /nfs/dbraw/zinc/23/99/82/685239982.db2.gz SQKHHZKIYQBQMO-UHFFFAOYSA-N 0 0 322.390 0.784 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1ncccc1Br ZINC000385716324 685247657 /nfs/dbraw/zinc/24/76/57/685247657.db2.gz LYPVGSDBNKVXDI-LDYMZIIASA-N 0 0 315.167 0.952 10 0 DCAERN CC(=O)N1CCCN(C(=O)CNC(=O)c2ccccc2F)CC1 ZINC000023241487 1171407118 /nfs/dbraw/zinc/40/71/18/1171407118.db2.gz HLCFDPZSIZJBRD-UHFFFAOYSA-N 0 0 321.352 0.636 10 0 DCAERN C#CCN(C(=S)N[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000054974985 1171862262 /nfs/dbraw/zinc/86/22/62/1171862262.db2.gz QTKGIPHDODVOGO-QWRGUYRKSA-N 0 0 304.437 0.018 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1 ZINC000068883221 1173796503 /nfs/dbraw/zinc/79/65/03/1173796503.db2.gz DLDNHNNOFFFSSR-UHFFFAOYSA-N 0 0 323.780 0.761 10 0 DCAERN CCNC(=O)N1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000070829279 1173819429 /nfs/dbraw/zinc/81/94/29/1173819429.db2.gz QFELCMWXDMPGID-UHFFFAOYSA-N 0 0 316.365 0.305 10 0 DCAERN C#CCN1CCN(C(=O)CNC(=O)c2ccccc2Cl)CC1 ZINC000089783935 1175347885 /nfs/dbraw/zinc/34/78/85/1175347885.db2.gz NRVKJFQHLSCYHE-UHFFFAOYSA-N 0 0 319.792 0.847 10 0 DCAERN CS(=O)(=O)NCCNCc1cc(O)ccc1Br ZINC000126822002 1177270875 /nfs/dbraw/zinc/27/08/75/1177270875.db2.gz RHJHNDNIUYMMCO-UHFFFAOYSA-N 0 0 323.212 0.794 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2N)CC1 ZINC000132142077 1177523626 /nfs/dbraw/zinc/52/36/26/1177523626.db2.gz ZSEQXMCTKYXPKF-UHFFFAOYSA-N 0 0 317.798 0.640 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c(F)cc1N ZINC000228712975 1177527871 /nfs/dbraw/zinc/52/78/71/1177527871.db2.gz LUCQMQJCZLMLMJ-ZETCQYMHSA-N 0 0 304.318 0.806 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1N ZINC000230978726 1180554961 /nfs/dbraw/zinc/55/49/61/1180554961.db2.gz YQAMXVKQNGDNEW-UHFFFAOYSA-N 0 0 305.787 0.543 10 0 DCAERN CCCCC(=O)N1CCC(NC(=O)COCCOC)CC1 ZINC000169875525 1183616580 /nfs/dbraw/zinc/61/65/80/1183616580.db2.gz HJAGOPNLMHEWFB-UHFFFAOYSA-N 0 0 300.399 0.947 10 0 DCAERN COCCOCC(=O)NC1CCN(C(=O)c2cccnc2)CC1 ZINC000169875328 1183616854 /nfs/dbraw/zinc/61/68/54/1183616854.db2.gz PINXAQBMWLPVHP-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN O=C(NC[C@H]1CCCO1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000170342048 1183656999 /nfs/dbraw/zinc/65/69/99/1183656999.db2.gz ITELNZDZDAUTFX-NEPJUHHUSA-N 0 0 320.345 0.238 10 0 DCAERN CN1CCO[C@@H](C(=O)NCc2ccnc(OCC3CC3)c2)C1 ZINC000172801922 1183874733 /nfs/dbraw/zinc/87/47/33/1183874733.db2.gz WMKALXKVNXFYFC-CQSZACIVSA-N 0 0 305.378 0.817 10 0 DCAERN CCCn1nc(C(=O)NCCCNC(=O)C2CCC2)ccc1=O ZINC000177024235 1184226366 /nfs/dbraw/zinc/22/63/66/1184226366.db2.gz IJZZDNIPHKNNBW-UHFFFAOYSA-N 0 0 320.393 0.690 10 0 DCAERN COc1cccc(CC(=O)N2CCN(c3cnccn3)CC2)n1 ZINC000186893870 1187425983 /nfs/dbraw/zinc/42/59/83/1187425983.db2.gz YGGZHENHTNJZPS-UHFFFAOYSA-N 0 0 313.361 0.772 10 0 DCAERN CCOC1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000187030735 1187433364 /nfs/dbraw/zinc/43/33/64/1187433364.db2.gz UOELFWZTKMCOBS-UHFFFAOYSA-N 0 0 302.334 0.959 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(F)cc1C ZINC000189050237 1187863430 /nfs/dbraw/zinc/86/34/30/1187863430.db2.gz NKRVPGBMMKKQFQ-CYBMUJFWSA-N 0 0 315.366 0.906 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(C#N)cc1C ZINC000189058694 1187864552 /nfs/dbraw/zinc/86/45/52/1187864552.db2.gz SKRBTYAYUWRHOL-CQSZACIVSA-N 0 0 322.386 0.639 10 0 DCAERN C[S@](=O)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307903307 1190384821 /nfs/dbraw/zinc/38/48/21/1190384821.db2.gz KDNNKKNEZVYBIM-IBGZPJMESA-N 0 0 318.420 0.171 10 0 DCAERN COC(C)(C)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307903922 1190385193 /nfs/dbraw/zinc/38/51/93/1190385193.db2.gz LOPSSIFFXWSGRG-UHFFFAOYSA-N 0 0 300.380 0.827 10 0 DCAERN CC(C)(O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909544 1190386092 /nfs/dbraw/zinc/38/60/92/1190386092.db2.gz XPHJDDZHZXLANL-UHFFFAOYSA-N 0 0 300.380 0.563 10 0 DCAERN CCO[C@@H]1C[C@H]1COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588599951 747523955 /nfs/dbraw/zinc/52/39/55/747523955.db2.gz HPZNIPUBXRDZKZ-ABZJQCSKSA-N 0 0 308.334 0.065 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)C[C@@H]3NC(=O)NC3=O)ccc21 ZINC000042849094 767369506 /nfs/dbraw/zinc/36/95/06/767369506.db2.gz VYOADQOUZUHEPK-NSHDSACASA-N 0 0 316.317 0.132 10 0 DCAERN Cc1noc([C@H](NCCN2C(=O)NC(C)(C)C2=O)C(C)C)n1 ZINC000179890328 774004827 /nfs/dbraw/zinc/00/48/27/774004827.db2.gz XHCXHWNUAZQSAU-SNVBAGLBSA-N 0 0 309.370 0.995 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccnc1F)C(=O)N1CCCC1 ZINC000401826539 774067725 /nfs/dbraw/zinc/06/77/25/774067725.db2.gz GQXPUZKUYUSHLE-VIFPVBQESA-N 0 0 301.343 0.510 10 0 DCAERN O=C(CNS(=O)(=O)c1cccnc1F)N1CCCCC1 ZINC000401863371 774069470 /nfs/dbraw/zinc/06/94/70/774069470.db2.gz SQEDSIBIFQEMJV-UHFFFAOYSA-N 0 0 301.343 0.512 10 0 DCAERN CCOCCCNC(=O)C1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000183503265 774088860 /nfs/dbraw/zinc/08/88/60/774088860.db2.gz LBAWARTXNCXLPV-UHFFFAOYSA-N 0 0 310.394 0.747 10 0 DCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000172994407 776258215 /nfs/dbraw/zinc/25/82/15/776258215.db2.gz DKCUODQQFFDNQQ-SECBINFHSA-N 0 0 303.771 0.515 10 0 DCAERN C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000823771415 955529401 /nfs/dbraw/zinc/52/94/01/955529401.db2.gz DCLJEJHVQLYBBZ-ZIAGYGMSSA-N 0 0 319.361 0.715 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)[nH]n1 ZINC000078901908 185126112 /nfs/dbraw/zinc/12/61/12/185126112.db2.gz GEOZPGKCNNBUQK-MNOVXSKESA-N 0 0 314.411 0.362 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000179397143 529385212 /nfs/dbraw/zinc/38/52/12/529385212.db2.gz KCOSEJRAWPTERC-LSDHHAIUSA-N 0 0 311.426 0.160 10 0 DCAERN CC[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCC1=O ZINC000174028137 529599709 /nfs/dbraw/zinc/59/97/09/529599709.db2.gz JMERRVBUUCCELX-GHMZBOCLSA-N 0 0 302.396 0.033 10 0 DCAERN Cc1nccnc1[C@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205253 282224140 /nfs/dbraw/zinc/22/41/40/282224140.db2.gz STKWGQSTOKRFCL-AAEUAGOBSA-N 0 0 300.366 0.975 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181405154 199291754 /nfs/dbraw/zinc/29/17/54/199291754.db2.gz GHGWLWPWABWBJK-NSHDSACASA-N 0 0 322.413 0.542 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000192021590 295702323 /nfs/dbraw/zinc/70/23/23/295702323.db2.gz DHSNEQNTPOAMQH-CMPLNLGQSA-N 0 0 300.380 0.116 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1ccnn1C)CC2 ZINC000181480261 199304255 /nfs/dbraw/zinc/30/42/55/199304255.db2.gz CFVSRVXGTPQVDX-LLVKDONJSA-N 0 0 317.397 0.949 10 0 DCAERN CN(C)c1cccc(CNC(=O)NCc2cc(C(N)=O)co2)n1 ZINC000187706297 529791179 /nfs/dbraw/zinc/79/11/79/529791179.db2.gz NOUSPGVJYASUGF-UHFFFAOYSA-N 0 0 317.349 0.839 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@]2(C)C(=O)OC)cs1 ZINC000186340650 529874491 /nfs/dbraw/zinc/87/44/91/529874491.db2.gz NPJFNYGMOPUAAF-CQSZACIVSA-N 0 0 311.407 0.959 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC(=O)N1CCCCCC1 ZINC000157692887 529902330 /nfs/dbraw/zinc/90/23/30/529902330.db2.gz KLVKUVCWSJSFFS-ZDUSSCGKSA-N 0 0 324.425 0.699 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@]2(CCO)CCOC2)cc1 ZINC000279351136 214814285 /nfs/dbraw/zinc/81/42/85/214814285.db2.gz UAJMWHZGHYSCGC-MRXNPFEDSA-N 0 0 306.362 0.941 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCc1cccc(C(N)=O)c1)C(C)C ZINC000178423063 529919794 /nfs/dbraw/zinc/91/97/94/529919794.db2.gz YPPPYZSRUGKGMO-GFCCVEGCSA-N 0 0 306.366 0.355 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000299689766 529903734 /nfs/dbraw/zinc/90/37/34/529903734.db2.gz UGJKRUDUWTZDEF-NSHDSACASA-N 0 0 303.318 0.368 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000158510581 529923513 /nfs/dbraw/zinc/92/35/13/529923513.db2.gz HZCNDCVZSMKRMQ-GFCCVEGCSA-N 0 0 324.425 0.555 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000301601127 529951557 /nfs/dbraw/zinc/95/15/57/529951557.db2.gz ZKPUUMFZNNDICV-CYBMUJFWSA-N 0 0 301.350 0.753 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C ZINC000407952572 290720728 /nfs/dbraw/zinc/72/07/28/290720728.db2.gz IKSRHDGMDSOCMK-QWRGUYRKSA-N 0 0 310.398 0.258 10 0 DCAERN CN(Cc1nc(C2CCCC2)no1)C[C@H](O)CN1CCOCC1 ZINC000155268827 530022404 /nfs/dbraw/zinc/02/24/04/530022404.db2.gz PGMCUWYLYHOCDK-AWEZNQCLSA-N 0 0 324.425 0.852 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)c12 ZINC000279581471 214981527 /nfs/dbraw/zinc/98/15/27/214981527.db2.gz SOHAXARDOWHAGF-MRXNPFEDSA-N 0 0 313.361 0.927 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000287155212 219348516 /nfs/dbraw/zinc/34/85/16/219348516.db2.gz RIQKVZQUYRLCGD-ZUZCIYMTSA-N 0 0 307.350 0.535 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000191645555 295809003 /nfs/dbraw/zinc/80/90/03/295809003.db2.gz KPBHTMBCSNWDOQ-YUMQZZPRSA-N 0 0 323.358 0.634 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@@H](C)N(C)C3=O)C2)n(C)n1 ZINC000280030425 215323210 /nfs/dbraw/zinc/32/32/10/215323210.db2.gz IAGPNBNECUEIJE-VXGBXAGGSA-N 0 0 305.382 0.980 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2nccs2)CC1 ZINC000171397018 197929928 /nfs/dbraw/zinc/92/99/28/197929928.db2.gz WPGYROMQLDKBLI-QWRGUYRKSA-N 0 0 309.391 0.991 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000265143442 186338683 /nfs/dbraw/zinc/33/86/83/186338683.db2.gz NVTPQECRXFWBSY-LBPRGKRZSA-N 0 0 319.409 0.887 10 0 DCAERN CCNS(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)OCC ZINC000171953058 198014478 /nfs/dbraw/zinc/01/44/78/198014478.db2.gz NOOCNUWTDAYYTG-ZDUSSCGKSA-N 0 0 314.407 0.852 10 0 DCAERN CC(=O)NC[C@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238553 198062813 /nfs/dbraw/zinc/06/28/13/198062813.db2.gz HNSHIYDMMHIORF-IRXDYDNUSA-N 0 0 322.405 0.401 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2COc3ccccc3C2)CCC1=O ZINC000172391115 198089220 /nfs/dbraw/zinc/08/92/20/198089220.db2.gz OEGGGBCAUYVIAW-OLZOCXBDSA-N 0 0 303.362 0.910 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC(n2ccnc2)CC1 ZINC000172532341 198110621 /nfs/dbraw/zinc/11/06/21/198110621.db2.gz XXFOMTWWHLZZNA-UHFFFAOYSA-N 0 0 313.361 0.872 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000172603874 198122846 /nfs/dbraw/zinc/12/28/46/198122846.db2.gz KIXMQZWDCUBWNW-CYBMUJFWSA-N 0 0 314.407 0.906 10 0 DCAERN CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(N)=O ZINC000173034564 198179140 /nfs/dbraw/zinc/17/91/40/198179140.db2.gz IAEQNVQQKGRAFW-WDEREUQCSA-N 0 0 304.346 0.941 10 0 DCAERN COCCOCc1cc(C(=O)N2CCNC(=O)CC2)ccc1F ZINC000173508921 198222065 /nfs/dbraw/zinc/22/20/65/198222065.db2.gz RAPOWNOOLRICPQ-UHFFFAOYSA-N 0 0 324.352 0.951 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCc1c(C)nn(C)c1C ZINC000174052067 198285606 /nfs/dbraw/zinc/28/56/06/198285606.db2.gz ZRYSZDDNULACRL-LBPRGKRZSA-N 0 0 310.423 0.965 10 0 DCAERN Cc1ccc(OCCC(=O)N[C@H]2CCC(=O)NC2=O)cc1C ZINC000174270502 198312830 /nfs/dbraw/zinc/31/28/30/198312830.db2.gz QRECEEUMCUQJBF-ZDUSSCGKSA-N 0 0 304.346 0.994 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](O)C1 ZINC000174590729 198356739 /nfs/dbraw/zinc/35/67/39/198356739.db2.gz DBXPRMWHQVXQTD-VHSXEESVSA-N 0 0 316.354 0.086 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000077782794 191774180 /nfs/dbraw/zinc/77/41/80/191774180.db2.gz MKBIJDJJJRWMQZ-STQMWFEESA-N 0 0 307.394 0.961 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCOC(C)C ZINC000081073856 192223015 /nfs/dbraw/zinc/22/30/15/192223015.db2.gz PSFSCUSQTZWXGQ-NSHDSACASA-N 0 0 302.400 0.766 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000177545310 198743781 /nfs/dbraw/zinc/74/37/81/198743781.db2.gz SZCMORPKZHUBFT-MNOVXSKESA-N 0 0 306.366 0.646 10 0 DCAERN COCCN1C[C@@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000081589048 192299069 /nfs/dbraw/zinc/29/90/69/192299069.db2.gz HQUDYHASXWHJQM-RYUDHWBXSA-N 0 0 321.381 0.033 10 0 DCAERN CN1C[C@@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1=O ZINC000298315320 283191655 /nfs/dbraw/zinc/19/16/55/283191655.db2.gz TZXGDRXMNVFALP-JQWIXIFHSA-N 0 0 322.386 0.500 10 0 DCAERN COC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]nc1C ZINC000038027048 291115327 /nfs/dbraw/zinc/11/53/27/291115327.db2.gz BGCTTWMFBRVXDW-JTQLQIEISA-N 0 0 301.368 0.824 10 0 DCAERN CC[C@@H](CCO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178367169 198855043 /nfs/dbraw/zinc/85/50/43/198855043.db2.gz JMAQEBCOOPIAGG-JTQLQIEISA-N 0 0 300.380 0.472 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)OCC(C)=O)ccc1Cl ZINC000005878132 181292637 /nfs/dbraw/zinc/29/26/37/181292637.db2.gz ZIKBZOTYONPPFT-UHFFFAOYSA-N 0 0 305.739 0.994 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000179353557 199020501 /nfs/dbraw/zinc/02/05/01/199020501.db2.gz IKFLNWHBMKDZQH-LBPRGKRZSA-N 0 0 310.423 0.690 10 0 DCAERN Cc1c(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cnn1C ZINC000179335343 199017777 /nfs/dbraw/zinc/01/77/77/199017777.db2.gz WRZYENPRHKXHQC-WFASDCNBSA-N 0 0 321.425 0.591 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H](OC)C(C)(C)C)cn1 ZINC000179458289 199039160 /nfs/dbraw/zinc/03/91/60/199039160.db2.gz LQQJMRSQPRAGCH-LLVKDONJSA-N 0 0 311.386 0.812 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@H]1N1CCOCC1 ZINC000180259358 199137795 /nfs/dbraw/zinc/13/77/95/199137795.db2.gz WBNBBCLFAYMXIM-DGCLKSJQSA-N 0 0 323.418 0.866 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1F ZINC000180406483 199155796 /nfs/dbraw/zinc/15/57/96/199155796.db2.gz VEQMDYFSEWXBOI-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN CCC[C@H](O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180503614 199168565 /nfs/dbraw/zinc/16/85/65/199168565.db2.gz UMDXZKLTKNQLSC-JTQLQIEISA-N 0 0 317.349 0.687 10 0 DCAERN CC[C@@H](O)C[NH+]1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000180517808 199169763 /nfs/dbraw/zinc/16/97/63/199169763.db2.gz AMHXXJLQFOSCLI-MRXNPFEDSA-N 0 0 321.421 0.623 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000091779773 283357034 /nfs/dbraw/zinc/35/70/34/283357034.db2.gz PAKVDZFRWOEAEQ-CYBMUJFWSA-N 0 0 318.308 0.338 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000152820042 237009533 /nfs/dbraw/zinc/00/95/33/237009533.db2.gz MENJYIFUDWRGFD-GJZGRUSLSA-N 0 0 317.389 0.543 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)O1 ZINC000155899443 237046665 /nfs/dbraw/zinc/04/66/65/237046665.db2.gz VMSMKIGSTQJOAB-STQMWFEESA-N 0 0 319.409 0.759 10 0 DCAERN Cc1cccc(N(CCC(N)=O)C[C@@H](O)CN2CCOCC2)c1 ZINC000156799253 237052852 /nfs/dbraw/zinc/05/28/52/237052852.db2.gz UJOWDOIKKZXHMX-INIZCTEOSA-N 0 0 321.421 0.370 10 0 DCAERN CN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158513479 237069368 /nfs/dbraw/zinc/06/93/68/237069368.db2.gz OCMWRXHIRIQCNS-JOYOIKCWSA-N 0 0 306.334 0.879 10 0 DCAERN C[C@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)C1CCCC1 ZINC000175784730 237188097 /nfs/dbraw/zinc/18/80/97/237188097.db2.gz YDGBIEBFTFZJEM-DZGCQCFKSA-N 0 0 313.442 0.900 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1N1CCOCC1 ZINC000173962801 237168550 /nfs/dbraw/zinc/16/85/50/237168550.db2.gz GSAAQNBVXNNRJE-WDEREUQCSA-N 0 0 323.418 0.640 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)N1CCc2c1cccc2F ZINC000185812021 237305858 /nfs/dbraw/zinc/30/58/58/237305858.db2.gz LMMXKAQFXUEDGA-UHFFFAOYSA-N 0 0 317.324 0.513 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186828172 237324802 /nfs/dbraw/zinc/32/48/02/237324802.db2.gz ZVMAXWZGUCVXDY-GFCCVEGCSA-N 0 0 303.362 0.414 10 0 DCAERN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186932481 237336271 /nfs/dbraw/zinc/33/62/71/237336271.db2.gz XQGLUIHAFUWWEK-HUUCEWRRSA-N 0 0 322.324 0.706 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)s1 ZINC000188730087 237378954 /nfs/dbraw/zinc/37/89/54/237378954.db2.gz SMZNBROIUWEWPG-SECBINFHSA-N 0 0 319.452 0.447 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000189217437 237389211 /nfs/dbraw/zinc/38/92/11/237389211.db2.gz SYHPQGCUCQXBHM-STQMWFEESA-N 0 0 308.378 0.315 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000190115320 237420893 /nfs/dbraw/zinc/42/08/93/237420893.db2.gz DUQFUUCECXSOAL-NSHDSACASA-N 0 0 321.377 0.706 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188229836 200212652 /nfs/dbraw/zinc/21/26/52/200212652.db2.gz BONYSYHMEGYCJO-UHFFFAOYSA-N 0 0 308.363 0.327 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000188546314 200263669 /nfs/dbraw/zinc/26/36/69/200263669.db2.gz AMKLGQFCOIJSFT-BXUZGUMPSA-N 0 0 317.389 0.837 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000153984174 291209930 /nfs/dbraw/zinc/20/99/30/291209930.db2.gz KKRUJPNVBLPXJG-GHMZBOCLSA-N 0 0 322.390 0.878 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154465718 291214214 /nfs/dbraw/zinc/21/42/14/291214214.db2.gz UCWBZOWTCYJYEQ-DZGCQCFKSA-N 0 0 321.425 0.666 10 0 DCAERN CCOCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCCOCC ZINC000154551478 291214425 /nfs/dbraw/zinc/21/44/25/291214425.db2.gz MXBLNWPRFXDEBI-BETUJISGSA-N 0 0 300.399 0.708 10 0 DCAERN CCNC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 ZINC000155066919 291217607 /nfs/dbraw/zinc/21/76/07/291217607.db2.gz YZJJRXKHSWCPOI-CQSZACIVSA-N 0 0 308.378 0.508 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154953592 291216832 /nfs/dbraw/zinc/21/68/32/291216832.db2.gz YEONSTVSMMEOGS-VHSXEESVSA-N 0 0 308.386 0.967 10 0 DCAERN Cc1nc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)c(=O)[nH]c1C ZINC000155138676 291218249 /nfs/dbraw/zinc/21/82/49/291218249.db2.gz XSROLQZGGCPWFE-UHFFFAOYSA-N 0 0 308.725 0.991 10 0 DCAERN COCCc1noc(CN(C)C[C@H](O)COC(C)(C)C)n1 ZINC000156877766 291226183 /nfs/dbraw/zinc/22/61/83/291226183.db2.gz QGSKHNQPFZQYCH-NSHDSACASA-N 0 0 301.387 0.866 10 0 DCAERN COc1cc(F)c(NC(=O)C(=O)NCC[C@@H](C)O)cc1F ZINC000157528121 291228716 /nfs/dbraw/zinc/22/87/16/291228716.db2.gz AZAHGVWOILLEOG-SSDOTTSWSA-N 0 0 302.277 0.799 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000158802203 291232516 /nfs/dbraw/zinc/23/25/16/291232516.db2.gz YATHLWWRMBNJFK-GHMZBOCLSA-N 0 0 315.391 0.697 10 0 DCAERN CNC(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 ZINC000161730743 291242964 /nfs/dbraw/zinc/24/29/64/291242964.db2.gz KNNAJDURXMBAHB-UHFFFAOYSA-N 0 0 312.329 0.810 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCN1C ZINC000328616994 291259510 /nfs/dbraw/zinc/25/95/10/291259510.db2.gz CGFGZRXZBHAYAM-KGLIPLIRSA-N 0 0 322.409 0.431 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(CO)(OC)CC2)c1 ZINC000401937730 239253030 /nfs/dbraw/zinc/25/30/30/239253030.db2.gz DALDTJNEBAJEMT-UHFFFAOYSA-N 0 0 303.384 0.065 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCCO1 ZINC000157144604 296067349 /nfs/dbraw/zinc/06/73/49/296067349.db2.gz UTOKBUHKVZRNAO-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229959 291325578 /nfs/dbraw/zinc/32/55/78/291325578.db2.gz FERAPGLFJWTIHR-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@H](c2nccn2C)C1)[C@H]1CCCO1 ZINC000275456843 212344823 /nfs/dbraw/zinc/34/48/23/212344823.db2.gz RNNIUCKAQQRHCJ-MELADBBJSA-N 0 0 321.425 0.986 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)C2(C(=O)C3CC3)CC2)CC1 ZINC000450787419 240646628 /nfs/dbraw/zinc/64/66/28/240646628.db2.gz RHZUUGQFRKKVHM-UHFFFAOYSA-N 0 0 322.405 0.842 10 0 DCAERN COC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091767583 193103734 /nfs/dbraw/zinc/10/37/34/193103734.db2.gz KDOMDMSCRBFLHZ-JOYOIKCWSA-N 0 0 314.288 0.955 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091780877 193106696 /nfs/dbraw/zinc/10/66/96/193106696.db2.gz JQVOQWKFEKVZDK-CYBMUJFWSA-N 0 0 318.308 0.542 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCn2cccn2)CC12COC2 ZINC000454632136 240795727 /nfs/dbraw/zinc/79/57/27/240795727.db2.gz OTJGQGOJQGOCDJ-LBPRGKRZSA-N 0 0 322.365 0.104 10 0 DCAERN CCc1ccc(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091781002 193107016 /nfs/dbraw/zinc/10/70/16/193107016.db2.gz WXKLVXNYWHLPAW-AWEZNQCLSA-N 0 0 318.373 0.925 10 0 DCAERN CO[C@@](C)(CNC(=O)N(C)Cc1nnnn1C)c1ccccc1 ZINC000455339741 240841550 /nfs/dbraw/zinc/84/15/50/240841550.db2.gz BJKOZWRLRPSNMV-HNNXBMFYSA-N 0 0 318.381 0.913 10 0 DCAERN C[C@@H](c1nccs1)N(C)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091943403 193129942 /nfs/dbraw/zinc/12/99/42/193129942.db2.gz RRZFZILFMNSHRY-JTQLQIEISA-N 0 0 310.423 0.860 10 0 DCAERN Cc1ccccc1CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457472010 241007916 /nfs/dbraw/zinc/00/79/16/241007916.db2.gz GJNGDHCMNPJZFT-CQSZACIVSA-N 0 0 303.366 0.489 10 0 DCAERN CCOC(=O)COCCNC(=O)NC1(CCO)CCCCC1 ZINC000458971724 241051273 /nfs/dbraw/zinc/05/12/73/241051273.db2.gz UKVDUNXNEHOXJC-UHFFFAOYSA-N 0 0 316.398 0.951 10 0 DCAERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000494661678 241206216 /nfs/dbraw/zinc/20/62/16/241206216.db2.gz PFFSGTSPJFGWJU-NSHDSACASA-N 0 0 319.361 0.676 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000408335193 291380177 /nfs/dbraw/zinc/38/01/77/291380177.db2.gz FVCCDSVVLFCTCH-LPWJVIDDSA-N 0 0 319.423 0.751 10 0 DCAERN COC(=O)[C@@H]1CCCN(Cc2cnc(N)s2)[C@H]1C(=O)OC ZINC000261754422 284010000 /nfs/dbraw/zinc/01/00/00/284010000.db2.gz KJIDXNBZXOGOGK-NXEZZACHSA-N 0 0 313.379 0.652 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000568769225 291446233 /nfs/dbraw/zinc/44/62/33/291446233.db2.gz DELFBJYJBUNOLD-RISCZKNCSA-N 0 0 313.375 0.660 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569876617 291500608 /nfs/dbraw/zinc/50/06/08/291500608.db2.gz RAEFDRZVVOUUTA-KOLCDFICSA-N 0 0 322.390 0.501 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000571450688 291515536 /nfs/dbraw/zinc/51/55/36/291515536.db2.gz FQHUBCVQDLJXLX-NSHDSACASA-N 0 0 321.395 0.685 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CC(=O)N1C ZINC000282507038 217048443 /nfs/dbraw/zinc/04/84/43/217048443.db2.gz XRRNTJPCBZNIQC-LLVKDONJSA-N 0 0 301.350 0.514 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374707901 284320038 /nfs/dbraw/zinc/32/00/38/284320038.db2.gz SPICRKSEBJJREZ-WDEREUQCSA-N 0 0 310.398 0.354 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1C ZINC000282731693 217209942 /nfs/dbraw/zinc/20/99/42/217209942.db2.gz MJJGSHREVWZBLJ-VIFPVBQESA-N 0 0 318.333 0.826 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397620 296186348 /nfs/dbraw/zinc/18/63/48/296186348.db2.gz YXCLKVLHZKBHED-RKDXNWHRSA-N 0 0 304.334 0.265 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3nc(C)cs3)CC2)nn1 ZINC000266003268 205017340 /nfs/dbraw/zinc/01/73/40/205017340.db2.gz LLSHNPQDQSZDGO-UHFFFAOYSA-N 0 0 318.406 0.928 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282801974 217260080 /nfs/dbraw/zinc/26/00/80/217260080.db2.gz QPJXRGVOEJNPOT-DOMZBBRYSA-N 0 0 306.366 0.236 10 0 DCAERN O=C(c1ccnc(-n2cccn2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000274680750 211824581 /nfs/dbraw/zinc/82/45/81/211824581.db2.gz RGVAIZBHNCANCF-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN O=C(C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O)NCCO ZINC000016905687 182064750 /nfs/dbraw/zinc/06/47/50/182064750.db2.gz ZZWCOKJQQAXCAN-SNVBAGLBSA-N 0 0 312.322 0.893 10 0 DCAERN C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389266 296200174 /nfs/dbraw/zinc/20/01/74/296200174.db2.gz ZYFPLWYBSGJURD-SCZZXKLOSA-N 0 0 307.803 0.998 10 0 DCAERN CN(CCC(N)=S)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000019834433 182155113 /nfs/dbraw/zinc/15/51/13/182155113.db2.gz FAEYGOMAHJWPJI-UHFFFAOYSA-N 0 0 300.405 0.838 10 0 DCAERN CC[C@H](C)NC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000019989975 182174458 /nfs/dbraw/zinc/17/44/58/182174458.db2.gz KLUDVWIQNGNZCZ-ZETCQYMHSA-N 0 0 322.390 0.780 10 0 DCAERN COc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1 ZINC000020201309 182196750 /nfs/dbraw/zinc/19/67/50/182196750.db2.gz LWJMGZIBWUPESI-UHFFFAOYSA-N 0 0 300.365 0.607 10 0 DCAERN Cc1cnc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000023445766 182361567 /nfs/dbraw/zinc/36/15/67/182361567.db2.gz UWBJDDBFGUAEJU-JTQLQIEISA-N 0 0 320.374 0.923 10 0 DCAERN Cn1nccc1CNC(=O)c1cc(Cl)ccc1-n1cnnn1 ZINC000024650643 182385951 /nfs/dbraw/zinc/38/59/51/182385951.db2.gz FHQFQLBPFJWNNM-UHFFFAOYSA-N 0 0 317.740 0.979 10 0 DCAERN Cn1nccc1CNC(=O)NCCNC(=O)c1ccccc1 ZINC000029735128 182575853 /nfs/dbraw/zinc/57/58/53/182575853.db2.gz AGZUGKWGYNKVOK-UHFFFAOYSA-N 0 0 301.350 0.649 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CC(F)(F)C[C@H]1CO ZINC000372547478 296235169 /nfs/dbraw/zinc/23/51/69/296235169.db2.gz NRUVOEQWXYPRMQ-VIFPVBQESA-N 0 0 312.272 0.860 10 0 DCAERN NC(=O)NC(=O)COc1c(N)cc(F)cc1Br ZINC000037288850 182878306 /nfs/dbraw/zinc/87/83/06/182878306.db2.gz YVPVRUVADIBVAI-UHFFFAOYSA-N 0 0 306.091 0.744 10 0 DCAERN NC(=O)C[C@H](N)C(=O)Nc1cc(Br)ccc1F ZINC000037626283 182915761 /nfs/dbraw/zinc/91/57/61/182915761.db2.gz CRDTZVYOZFJQRC-ZETCQYMHSA-N 0 0 304.119 0.729 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000038017451 182965769 /nfs/dbraw/zinc/96/57/69/182965769.db2.gz OOXXNOZXZLIRIV-UHFFFAOYSA-N 0 0 308.381 0.319 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000040333460 183054761 /nfs/dbraw/zinc/05/47/61/183054761.db2.gz PTMUBTMGEYPTJD-UHFFFAOYSA-N 0 0 311.407 0.758 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc2ccccc2c1O ZINC000180273187 295159439 /nfs/dbraw/zinc/15/94/39/295159439.db2.gz JNGIQRWADSGXNW-CYBMUJFWSA-N 0 0 300.314 0.872 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N(CCC(N)=S)C(C)C ZINC000042528925 183281285 /nfs/dbraw/zinc/28/12/85/183281285.db2.gz VGYBVVKYYORNGX-UHFFFAOYSA-N 0 0 310.441 0.656 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000104357811 194000703 /nfs/dbraw/zinc/00/07/03/194000703.db2.gz SACKSPPRNCMION-SNVBAGLBSA-N 0 0 302.338 0.092 10 0 DCAERN C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(Cl)s1 ZINC000104693770 194028221 /nfs/dbraw/zinc/02/82/21/194028221.db2.gz GLTHYJYQCJHNAZ-QMMMGPOBSA-N 0 0 301.799 0.838 10 0 DCAERN COCc1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104788461 194040661 /nfs/dbraw/zinc/04/06/61/194040661.db2.gz WDQANBMMEBFFET-OAHLLOKOSA-N 0 0 307.394 0.963 10 0 DCAERN O=C(NCc1ccc(N2CCCC2)nc1)N1CCNC(=O)CC1 ZINC000105115156 194074573 /nfs/dbraw/zinc/07/45/73/194074573.db2.gz IRCFSUVNWQZULH-UHFFFAOYSA-N 0 0 317.393 0.713 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105312963 194095713 /nfs/dbraw/zinc/09/57/13/194095713.db2.gz MGLVFCCQPDLIJB-UHFFFAOYSA-N 0 0 308.426 0.735 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000273876303 211135066 /nfs/dbraw/zinc/13/50/66/211135066.db2.gz QCIPUPZRXVIBBE-JTQLQIEISA-N 0 0 307.350 0.526 10 0 DCAERN COCCN(Cc1ccco1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105282005 194092670 /nfs/dbraw/zinc/09/26/70/194092670.db2.gz PSUBHBLTRQHNJI-AWEZNQCLSA-N 0 0 311.382 0.768 10 0 DCAERN CC[C@H]1CN(c2cnn(C)c(=O)c2Cl)CCN1C[C@@H](C)O ZINC000105790802 194128865 /nfs/dbraw/zinc/12/88/65/194128865.db2.gz ZXUFWEXZWZUANX-MNOVXSKESA-N 0 0 314.817 0.715 10 0 DCAERN COCCN1CCN(CC(=O)NCc2ccccc2)C[C@H]1C ZINC000105832165 194139666 /nfs/dbraw/zinc/13/96/66/194139666.db2.gz XXPZCRFUKJCSOX-OAHLLOKOSA-N 0 0 305.422 0.955 10 0 DCAERN COC(=O)CC[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000105987339 194176757 /nfs/dbraw/zinc/17/67/57/194176757.db2.gz KGOKBGOJUHXFJI-OLZOCXBDSA-N 0 0 304.346 0.933 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000106228082 194190772 /nfs/dbraw/zinc/19/07/72/194190772.db2.gz KCFGAATZEKVHLG-GXFFZTMASA-N 0 0 324.402 0.909 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000106526603 194224956 /nfs/dbraw/zinc/22/49/56/194224956.db2.gz ZRXCEUJRSNADHS-NSHDSACASA-N 0 0 310.398 0.163 10 0 DCAERN O=S(=O)(CC1CC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000273665894 210962721 /nfs/dbraw/zinc/96/27/21/210962721.db2.gz YRDOBYVVDBYHKS-UHFFFAOYSA-N 0 0 300.359 0.478 10 0 DCAERN CCCNC(=O)CNC(=O)c1cc(Br)cnc1N ZINC000050703416 183800869 /nfs/dbraw/zinc/80/08/69/183800869.db2.gz IKCJXNYBQLBQNQ-UHFFFAOYSA-N 0 0 315.171 0.682 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[S@](C)=O ZINC000110017659 194304208 /nfs/dbraw/zinc/30/42/08/194304208.db2.gz YTDCZCPOALTUBS-JEOXALJRSA-N 0 0 324.468 0.075 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000110634595 194345056 /nfs/dbraw/zinc/34/50/56/194345056.db2.gz HLOFZQBSOSLKCV-WDEREUQCSA-N 0 0 306.395 0.908 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000110918486 194369225 /nfs/dbraw/zinc/36/92/25/194369225.db2.gz BCKJHDAVSAPIOI-CYBMUJFWSA-N 0 0 323.393 0.579 10 0 DCAERN Cn1cc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000110952917 194373383 /nfs/dbraw/zinc/37/33/83/194373383.db2.gz NBGYOJPBKJAGMN-HNNXBMFYSA-N 0 0 306.410 0.676 10 0 DCAERN CCNC(=O)CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000061377317 184169324 /nfs/dbraw/zinc/16/93/24/184169324.db2.gz ZFPBKCVZQJSSMB-UHFFFAOYSA-N 0 0 305.382 0.486 10 0 DCAERN COC[C@](C)(NC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000362198409 262008631 /nfs/dbraw/zinc/00/86/31/262008631.db2.gz AOPDXEAVKABRCP-APPZFPTMSA-N 0 0 303.302 0.505 10 0 DCAERN CN1CCN(Cc2ccc(N)cc2Br)C(=O)C1=O ZINC000061797515 184187776 /nfs/dbraw/zinc/18/77/76/184187776.db2.gz YFFHNRYPPBICON-UHFFFAOYSA-N 0 0 312.167 0.832 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccccc2)C[C@H](C)O1 ZINC000063000966 184265472 /nfs/dbraw/zinc/26/54/72/184265472.db2.gz XVPACIOMYHLLOQ-SCRDCRAPSA-N 0 0 314.407 0.664 10 0 DCAERN COc1cc(N)ccc1NS(=O)(=O)CCS(C)(=O)=O ZINC000063141958 184273353 /nfs/dbraw/zinc/27/33/53/184273353.db2.gz DDXPZIPGVFITNQ-UHFFFAOYSA-N 0 0 308.381 0.064 10 0 DCAERN NC(=O)CNC(=O)c1nc(-c2ccccc2)nc2c1OCO2 ZINC000065293253 184323774 /nfs/dbraw/zinc/32/37/74/184323774.db2.gz CWMFVGHZTFOSSU-UHFFFAOYSA-N 0 0 300.274 0.087 10 0 DCAERN CCN(CCO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000097477969 284965875 /nfs/dbraw/zinc/96/58/75/284965875.db2.gz SWUVURVNTQDVAP-ZDUSSCGKSA-N 0 0 306.362 0.838 10 0 DCAERN CC1(CNC(=O)CNC(=O)N2CCc3ccccc3C2)COC1 ZINC000112728342 194514142 /nfs/dbraw/zinc/51/41/42/194514142.db2.gz RRQRJRWQDOBJDA-UHFFFAOYSA-N 0 0 317.389 0.907 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N[C@H]2CCc3ncnn3C2)n1 ZINC000112739924 194515595 /nfs/dbraw/zinc/51/55/95/194515595.db2.gz KTNWNGBDHBEWON-ZDUSSCGKSA-N 0 0 317.397 0.796 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000184998327 532968910 /nfs/dbraw/zinc/96/89/10/532968910.db2.gz GTYNQERIYDWFTP-CHWSQXEVSA-N 0 0 305.444 0.368 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000163610810 252594085 /nfs/dbraw/zinc/59/40/85/252594085.db2.gz WKNDVMVXZXODPU-PSASIEDQSA-N 0 0 322.365 0.596 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313674126 252643427 /nfs/dbraw/zinc/64/34/27/252643427.db2.gz ZENKPMHFMTZSIU-CYBMUJFWSA-N 0 0 306.428 0.315 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](CO)CC1CCCCC1 ZINC000333112521 252681736 /nfs/dbraw/zinc/68/17/36/252681736.db2.gz FIBCIENOCUACGB-SOUVJXGZSA-N 0 0 312.410 0.416 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000333417445 252720229 /nfs/dbraw/zinc/72/02/29/252720229.db2.gz FJXFMOCXBHFXLE-MNOVXSKESA-N 0 0 302.396 0.081 10 0 DCAERN O=S(=O)(NCCN1CCCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333171281 285040399 /nfs/dbraw/zinc/04/03/99/285040399.db2.gz NUALTCDKGBWKIL-HZSPNIEDSA-N 0 0 302.440 0.817 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@H]2CCC(=O)NC2(C)C)c1 ZINC000338510497 252967244 /nfs/dbraw/zinc/96/72/44/252967244.db2.gz GTYIJLVUDONIJV-LBPRGKRZSA-N 0 0 303.362 0.833 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000286157417 218820296 /nfs/dbraw/zinc/82/02/96/218820296.db2.gz HELCCGHZRFKPSD-YRGRVCCFSA-N 0 0 320.393 0.625 10 0 DCAERN CC[C@H]1CN(c2ccc(C(=O)NC)nn2)C[C@H](C)S1(=O)=O ZINC000286469018 219006097 /nfs/dbraw/zinc/00/60/97/219006097.db2.gz PYRRQXQLRRDCSQ-UWVGGRQHSA-N 0 0 312.395 0.238 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000286517720 219031904 /nfs/dbraw/zinc/03/19/04/219031904.db2.gz QOEGIGLCHZISCF-LSDHHAIUSA-N 0 0 319.409 0.918 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCCOC2)c1 ZINC000343728537 253692782 /nfs/dbraw/zinc/69/27/82/253692782.db2.gz NIAWVFJZCOTFKS-CYBMUJFWSA-N 0 0 319.361 0.903 10 0 DCAERN O=C1NC[C@H]2CN([C@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569413 296384903 /nfs/dbraw/zinc/38/49/03/296384903.db2.gz FLIUYSSFWSYXAS-HZMBPMFUSA-N 0 0 319.792 0.970 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000344650104 253812174 /nfs/dbraw/zinc/81/21/74/253812174.db2.gz OHLPXUSHABNHRN-ILXRZTDVSA-N 0 0 324.421 0.897 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)[C@@H](C)CC)CC2 ZINC000114977124 220441270 /nfs/dbraw/zinc/44/12/70/220441270.db2.gz HPQRRYNFDFNOLJ-TUAOUCFPSA-N 0 0 309.414 0.862 10 0 DCAERN CCn1cc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)nc1C ZINC000347969454 254206872 /nfs/dbraw/zinc/20/68/72/254206872.db2.gz UDWQTTJLZASGPA-QMMMGPOBSA-N 0 0 315.317 0.803 10 0 DCAERN C[C@H](CNC(=O)COc1ccc(Cl)cc1)S(N)(=O)=O ZINC000350618065 254319181 /nfs/dbraw/zinc/31/91/81/254319181.db2.gz BQWBMAFWNSQEAB-MRVPVSSYSA-N 0 0 306.771 0.512 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(OC(F)F)c1)S(N)(=O)=O ZINC000350620393 254319781 /nfs/dbraw/zinc/31/97/81/254319781.db2.gz NHGSMPLMZJIDPW-ZETCQYMHSA-N 0 0 308.306 0.695 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1ccc(F)cc1)S(N)(=O)=O ZINC000350621128 254319819 /nfs/dbraw/zinc/31/98/19/254319819.db2.gz PZSPOVPZGVANCZ-BDAKNGLRSA-N 0 0 304.343 0.386 10 0 DCAERN C[C@H](CNC(=O)c1ccc(Br)cc1)S(N)(=O)=O ZINC000350621708 254320125 /nfs/dbraw/zinc/32/01/25/254320125.db2.gz URHUPNRWQIXOFZ-SSDOTTSWSA-N 0 0 321.196 0.856 10 0 DCAERN C[C@H](CNC(=O)c1occc1Br)S(N)(=O)=O ZINC000350630130 254321886 /nfs/dbraw/zinc/32/18/86/254321886.db2.gz WQYSNIRFAOUENN-RXMQYKEDSA-N 0 0 311.157 0.449 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000289180848 220770427 /nfs/dbraw/zinc/77/04/27/220770427.db2.gz VWJNSXLAXVPAAT-IUCAKERBSA-N 0 0 300.380 0.990 10 0 DCAERN C[C@H]1CN(C(=O)c2cncc(Cl)c2)CCN1S(C)(=O)=O ZINC000294823869 224245696 /nfs/dbraw/zinc/24/56/96/224245696.db2.gz AAOREXMUTTWJFD-VIFPVBQESA-N 0 0 317.798 0.841 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)C1 ZINC000248686043 285265472 /nfs/dbraw/zinc/26/54/72/285265472.db2.gz ZGGXYYUDASVMNU-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CSc1nncn1C ZINC000151576063 196698381 /nfs/dbraw/zinc/69/83/81/196698381.db2.gz RVFAKUAAEPVGPU-SECBINFHSA-N 0 0 321.410 0.712 10 0 DCAERN Cn1c(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc(Cl)c1Cl ZINC000376959607 262159826 /nfs/dbraw/zinc/15/98/26/262159826.db2.gz ZHZIWDMLWDCSOD-NSHDSACASA-N 0 0 306.149 0.394 10 0 DCAERN COc1cc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)ncn1 ZINC000248128679 257108486 /nfs/dbraw/zinc/10/84/86/257108486.db2.gz MOJQWMDCCGRCSJ-NEPJUHHUSA-N 0 0 314.349 0.603 10 0 DCAERN Cn1cc(CN2C[C@H](N3CCCC3=O)[C@@H]3OCCC[C@@H]32)cn1 ZINC000248118788 257108520 /nfs/dbraw/zinc/10/85/20/257108520.db2.gz JJAPTXHPOAEFON-OFQRWUPVSA-N 0 0 304.394 0.774 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000247912772 257113976 /nfs/dbraw/zinc/11/39/76/257113976.db2.gz AFOLZZRKMVJHBE-LSDHHAIUSA-N 0 0 307.369 0.457 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cc(C)on3)C[C@@H]2O1 ZINC000247907824 257115452 /nfs/dbraw/zinc/11/54/52/257115452.db2.gz KMDCUXSKSQYMNB-SNPRPXQTSA-N 0 0 323.393 0.725 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCCO2)Cc2nnn(CC3CC3)c21 ZINC000247819632 257116802 /nfs/dbraw/zinc/11/68/02/257116802.db2.gz CQGVPYNYTCSEIO-JSGCOSHPSA-N 0 0 320.393 0.939 10 0 DCAERN COCCNC(=O)[C@@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247847941 257117270 /nfs/dbraw/zinc/11/72/70/257117270.db2.gz NORLHOSBSXSRRF-AWEZNQCLSA-N 0 0 308.382 0.181 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(Cc3ccccn3)C[C@H]21 ZINC000247551630 257119187 /nfs/dbraw/zinc/11/91/87/257119187.db2.gz WAZLNPQGWOCHOL-ZIAGYGMSSA-N 0 0 311.407 0.316 10 0 DCAERN CS(=O)(=O)N1CC2(C1)C[C@@H](OCc1cccnc1)CCO2 ZINC000247527645 257119190 /nfs/dbraw/zinc/11/91/90/257119190.db2.gz NSCAPURUBGCTSY-ZDUSSCGKSA-N 0 0 312.391 0.791 10 0 DCAERN CS(=O)(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2ccco2)C1 ZINC000247487752 257119233 /nfs/dbraw/zinc/11/92/33/257119233.db2.gz AKWKHFMBAYXVDB-NSHDSACASA-N 0 0 324.362 0.222 10 0 DCAERN CC(=O)NCC(=O)N1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1 ZINC000253489249 257104973 /nfs/dbraw/zinc/10/49/73/257104973.db2.gz DPESZJRYOMYNER-ZYHUDNBSSA-N 0 0 307.375 0.305 10 0 DCAERN COCCCCS(=O)(=O)N1CCNC(=O)[C@@H]1CC(C)C ZINC000188899865 533271480 /nfs/dbraw/zinc/27/14/80/533271480.db2.gz UTFDBPGXOVNJEZ-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN CO[C@@H](C)c1noc(CN2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000155144592 533363585 /nfs/dbraw/zinc/36/35/85/533363585.db2.gz PNECTPLUMWVSPI-VIFPVBQESA-N 0 0 303.384 0.786 10 0 DCAERN C[C@@H](NCc1nnn(C)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400727709 533473987 /nfs/dbraw/zinc/47/39/87/533473987.db2.gz PWHZYQDPOQTJSV-MNOVXSKESA-N 0 0 310.402 0.945 10 0 DCAERN COc1cccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299746205 533486199 /nfs/dbraw/zinc/48/61/99/533486199.db2.gz VSXRCXXVFVWBFX-OCCSQVGLSA-N 0 0 323.368 0.861 10 0 DCAERN CC(C)C[C@@H](C)OCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000133112015 545797186 /nfs/dbraw/zinc/79/71/86/545797186.db2.gz AQCCOMMBGJVKDS-CABCVRRESA-N 0 0 316.442 0.637 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CCO1 ZINC000275643978 130354968 /nfs/dbraw/zinc/35/49/68/130354968.db2.gz NVWLCRAKZZUNEG-MGPQQGTHSA-N 0 0 321.425 0.986 10 0 DCAERN CN(CC1(CO)CC1)C(=O)c1cccnc1N1CCOCC1 ZINC000275772272 130383847 /nfs/dbraw/zinc/38/38/47/130383847.db2.gz FSBZYOHZBLQUKL-UHFFFAOYSA-N 0 0 305.378 0.763 10 0 DCAERN Cc1ccsc1CNC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000283928957 131033820 /nfs/dbraw/zinc/03/38/20/131033820.db2.gz XKJUTRNDYZGOMH-HNNXBMFYSA-N 0 0 324.402 0.691 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCc3ccccc3C2=O)C[C@H]1C(N)=O ZINC000284519623 131088510 /nfs/dbraw/zinc/08/85/10/131088510.db2.gz FZWQRHYRYVPRGF-BXUZGUMPSA-N 0 0 315.373 0.265 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000130925537 285480308 /nfs/dbraw/zinc/48/03/08/285480308.db2.gz OFMDFERRTWDPNV-LLVKDONJSA-N 0 0 322.413 0.883 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000284825033 131114182 /nfs/dbraw/zinc/11/41/82/131114182.db2.gz CEOGQYVXSNEFIL-USBNGQNGSA-N 0 0 324.327 0.907 10 0 DCAERN COc1ccc(C(C)(C)C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000285585772 131183611 /nfs/dbraw/zinc/18/36/11/131183611.db2.gz QRRNOVXROFHASQ-KRWDZBQOSA-N 0 0 320.389 0.812 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@H]43)c2n1 ZINC000285698288 131193998 /nfs/dbraw/zinc/19/39/98/131193998.db2.gz IPTJUDAFXNMFOG-KGLIPLIRSA-N 0 0 315.377 0.583 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000120486771 132141469 /nfs/dbraw/zinc/14/14/69/132141469.db2.gz OGTFYGYUANAMDA-ZJUUUORDSA-N 0 0 300.380 0.341 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000120837804 132147014 /nfs/dbraw/zinc/14/70/14/132147014.db2.gz HQYCZRSXAFQYFT-KBPBESRZSA-N 0 0 305.382 0.678 10 0 DCAERN CC[C@H]1Oc2cc(N)ccc2N(CC(=O)N2CCOCC2)C1=O ZINC000019953927 134640523 /nfs/dbraw/zinc/64/05/23/134640523.db2.gz MLPYWYDGVFWTLO-CYBMUJFWSA-N 0 0 319.361 0.632 10 0 DCAERN C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)[C@@H]1CCCO1 ZINC000027908650 134669517 /nfs/dbraw/zinc/66/95/17/134669517.db2.gz XFUGDXVLLFLPAN-AAEUAGOBSA-N 0 0 316.361 0.620 10 0 DCAERN COc1ccc(O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011716874 395686766 /nfs/dbraw/zinc/68/67/66/395686766.db2.gz ATCFFOLFXAHBNW-MNOVXSKESA-N 0 0 313.375 0.766 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000011776890 395686800 /nfs/dbraw/zinc/68/68/00/395686800.db2.gz BYTXUEFTAWULRW-MDQMCFMNSA-N 0 0 305.378 0.792 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1=O ZINC000014037567 395689139 /nfs/dbraw/zinc/68/91/39/395689139.db2.gz UHZZRKXPBNOWEL-CYBMUJFWSA-N 0 0 317.389 0.860 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC(=O)NC(C)C)cc1C ZINC000017809787 395690865 /nfs/dbraw/zinc/69/08/65/395690865.db2.gz WDRIEPUFJKSREM-UHFFFAOYSA-N 0 0 305.378 0.674 10 0 DCAERN O=C(CCN1CC1)NCCCCCCNC(=O)CCN1CC1 ZINC000005160664 395682688 /nfs/dbraw/zinc/68/26/88/395682688.db2.gz ZONJGAVTEZMJMY-UHFFFAOYSA-N 0 0 310.442 0.191 10 0 DCAERN Cn1nc(C(=O)NCc2cccnc2-n2ccnc2)ccc1=O ZINC000029912162 395700464 /nfs/dbraw/zinc/70/04/64/395700464.db2.gz GIBOSYHHIKBXMG-UHFFFAOYSA-N 0 0 310.317 0.291 10 0 DCAERN CC1(C)O[C@H]2O[C@@H]3[C@H](O)CN(C(=O)c4ccccc4)[C@@H]3[C@H]2O1 ZINC000032107214 395709515 /nfs/dbraw/zinc/70/95/15/395709515.db2.gz UIWLWXXKXLOPJR-WPLOAARJSA-N 0 0 305.330 0.748 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC000089418938 395711252 /nfs/dbraw/zinc/71/12/52/395711252.db2.gz APQLQJTZGOCZMK-GXFFZTMASA-N 0 0 312.391 0.438 10 0 DCAERN CC[C@@H](CO)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000035610317 395721334 /nfs/dbraw/zinc/72/13/34/395721334.db2.gz NNDNLGFKRBVDTP-VIFPVBQESA-N 0 0 305.352 0.732 10 0 DCAERN CO[C@H]1O[C@H](COC(C)=O)[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000036433300 395723403 /nfs/dbraw/zinc/72/34/03/395723403.db2.gz DMXZHMAFWXQZAQ-SJHCENCUSA-N 0 0 322.285 0.122 10 0 in-vitro DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037732133 395729121 /nfs/dbraw/zinc/72/91/21/395729121.db2.gz NROGWSRYGPWUTD-BDAKNGLRSA-N 0 0 317.367 0.168 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C[C@H]1O ZINC000093348385 395738390 /nfs/dbraw/zinc/73/83/90/395738390.db2.gz MFFXMBRQBZJDDK-VXGBXAGGSA-N 0 0 307.398 0.917 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC(=O)N2CCCC2)C1 ZINC000044326151 395755808 /nfs/dbraw/zinc/75/58/08/395755808.db2.gz ZEFLQBNJBHIZNW-VXGBXAGGSA-N 0 0 303.428 0.421 10 0 DCAERN C[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000097308321 395756897 /nfs/dbraw/zinc/75/68/97/395756897.db2.gz CTDGXOXWQVGUHL-SECBINFHSA-N 0 0 323.378 0.950 10 0 DCAERN C[C@H](CNC(=O)N(CCO)Cc1ccccc1)N1CCOCC1 ZINC000097427941 395757388 /nfs/dbraw/zinc/75/73/88/395757388.db2.gz BYJBWPWNGNWTJU-OAHLLOKOSA-N 0 0 321.421 0.911 10 0 DCAERN CS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000106383674 395782546 /nfs/dbraw/zinc/78/25/46/395782546.db2.gz JOLBZRHXWOHZNS-JMQJUWAASA-N 0 0 320.363 0.889 10 0 DCAERN Cc1noc(CCNC(=O)NCC(C)(C)N2CCOCC2)n1 ZINC000101771218 395767343 /nfs/dbraw/zinc/76/73/43/395767343.db2.gz VNTSMCORAWXALV-UHFFFAOYSA-N 0 0 311.386 0.331 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623486 395802642 /nfs/dbraw/zinc/80/26/42/395802642.db2.gz VDDIZODDABLCLK-ZDUSSCGKSA-N 0 0 306.362 0.908 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000118080957 395858285 /nfs/dbraw/zinc/85/82/85/395858285.db2.gz JZBDPCDURZGHTH-UHFFFAOYSA-N 0 0 315.381 0.513 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000111650083 395811552 /nfs/dbraw/zinc/81/15/52/395811552.db2.gz HPSLUSLDZWQVJJ-AWEZNQCLSA-N 0 0 315.377 0.885 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112649288 395820096 /nfs/dbraw/zinc/82/00/96/395820096.db2.gz HMZMEWODSGWKJW-NSHDSACASA-N 0 0 307.398 0.652 10 0 DCAERN COC(=O)C1=[N+]([O-])O[C@H](C(=O)OC)[C@H]1c1c[nH]c2ccccc21 ZINC000225385599 395859127 /nfs/dbraw/zinc/85/91/27/395859127.db2.gz PKXQSVAMHZSAJN-AAEUAGOBSA-O 0 0 319.293 0.754 10 0 DCAERN C[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000195217478 395821894 /nfs/dbraw/zinc/82/18/94/395821894.db2.gz WDDWHEOFKCMZMP-GWCFXTLKSA-N 0 0 312.391 0.772 10 0 DCAERN Cn1ncc2c1nc(NCCN1CCOCC1(C)C)nc2N ZINC000195263481 395822844 /nfs/dbraw/zinc/82/28/44/395822844.db2.gz XTPUZSBBXWOMGM-UHFFFAOYSA-N 0 0 305.386 0.468 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000195359234 395825752 /nfs/dbraw/zinc/82/57/52/395825752.db2.gz JPMSWELVJPULDF-IPYPFGDCSA-N 0 0 323.437 0.470 10 0 DCAERN CC[C@H](C)CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000113272623 395829404 /nfs/dbraw/zinc/82/94/04/395829404.db2.gz KJRRQYWSVXGYJN-JTQLQIEISA-N 0 0 320.436 0.800 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000195490516 395829846 /nfs/dbraw/zinc/82/98/46/395829846.db2.gz TWMVAGMDEAFOMW-GXFFZTMASA-N 0 0 310.423 0.865 10 0 DCAERN CC(C)n1nnnc1CN1CCC(c2ccnn2CCO)CC1 ZINC000195509377 395830537 /nfs/dbraw/zinc/83/05/37/395830537.db2.gz WUYKCXCMTDGKSN-UHFFFAOYSA-N 0 0 319.413 0.822 10 0 DCAERN O=C(N1CCO[C@@H](c2nccs2)C1)[C@]1(O)CCSC1 ZINC000271022312 395831462 /nfs/dbraw/zinc/83/14/62/395831462.db2.gz UZVMKBVXKDRKNK-SKDRFNHKSA-N 0 0 300.405 0.911 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000114608624 395835596 /nfs/dbraw/zinc/83/55/96/395835596.db2.gz AJEAACHBZGFWCP-JOYOIKCWSA-N 0 0 310.375 0.862 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115921 395860079 /nfs/dbraw/zinc/86/00/79/395860079.db2.gz WJNYKYNIIWJPDZ-SNVBAGLBSA-N 0 0 313.304 0.350 10 0 DCAERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CN1CC(=O)NC1=O ZINC000115721019 395840505 /nfs/dbraw/zinc/84/05/05/395840505.db2.gz XPNKZHOBJHREIL-YPMHNXCESA-N 0 0 301.346 0.943 10 0 DCAERN CN(C)c1nc(N)nc(CN2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000116323519 395842903 /nfs/dbraw/zinc/84/29/03/395842903.db2.gz KHBVOLWRPIIOMS-SNVBAGLBSA-N 0 0 302.386 0.243 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115916 395860521 /nfs/dbraw/zinc/86/05/21/395860521.db2.gz NEBOJOAWCRVDGT-SNVBAGLBSA-N 0 0 313.304 0.350 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000116833028 395847030 /nfs/dbraw/zinc/84/70/30/395847030.db2.gz VEBJNABYEQYYMP-GFCCVEGCSA-N 0 0 300.355 0.518 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000116833263 395847115 /nfs/dbraw/zinc/84/71/15/395847115.db2.gz PZKNWNQEUPYRIZ-PWSUYJOCSA-N 0 0 310.375 0.313 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccnc2Cl)C1 ZINC000116834619 395847781 /nfs/dbraw/zinc/84/77/81/395847781.db2.gz OSZIEOZOPVAJLG-MRVPVSSYSA-N 0 0 303.771 0.499 10 0 DCAERN Cc1ccc2ncn(C[C@H](O)CN3CCOCC3)c(=O)c2c1 ZINC000051374202 395849957 /nfs/dbraw/zinc/84/99/57/395849957.db2.gz QAWCVTKBBPBWJY-CYBMUJFWSA-N 0 0 303.362 0.398 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000116982193 395850182 /nfs/dbraw/zinc/85/01/82/395850182.db2.gz ZCMIKOZIJJJPIX-SECBINFHSA-N 0 0 318.782 0.809 10 0 DCAERN CNC(=O)CNC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117471211 395852908 /nfs/dbraw/zinc/85/29/08/395852908.db2.gz OLJOUJJHGCUCGL-LBPRGKRZSA-N 0 0 320.393 0.709 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000117642053 395853824 /nfs/dbraw/zinc/85/38/24/395853824.db2.gz NOIGLLHYZKKFCT-CYBMUJFWSA-N 0 0 313.361 0.988 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)OCC(F)(F)F)c1 ZINC000117817384 395854966 /nfs/dbraw/zinc/85/49/66/395854966.db2.gz ZBBXQWXEEWINTM-UHFFFAOYSA-N 0 0 308.260 0.596 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2ccc(OCC(N)=O)cc2)c1 ZINC000118011819 395857197 /nfs/dbraw/zinc/85/71/97/395857197.db2.gz FHVOZBQDYXXROR-UHFFFAOYSA-N 0 0 317.349 0.877 10 0 DCAERN COCCN1CCN(C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000194334318 395794014 /nfs/dbraw/zinc/79/40/14/395794014.db2.gz FKJPEOWEWCBTFJ-UHFFFAOYSA-N 0 0 323.441 0.553 10 0 DCAERN Cc1n[nH]cc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000194538855 395799010 /nfs/dbraw/zinc/79/90/10/395799010.db2.gz SKWMCHHRLBFMSA-GFCCVEGCSA-N 0 0 306.366 0.429 10 0 DCAERN CC(=O)NCCCNC(=O)c1cnc2nc(C)ccc2c1O ZINC000194558123 395799471 /nfs/dbraw/zinc/79/94/71/395799471.db2.gz DGBRYTBMOJOXIF-UHFFFAOYSA-N 0 0 302.334 0.900 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCn1cccc1 ZINC000234582089 395889225 /nfs/dbraw/zinc/88/92/25/395889225.db2.gz QXDSDAMNHPSAMW-RYUDHWBXSA-N 0 0 300.380 0.749 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)ccc1=O ZINC000122910638 395890611 /nfs/dbraw/zinc/89/06/11/395890611.db2.gz MEDHRSDWZBCVCL-UHFFFAOYSA-N 0 0 318.377 0.113 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C1 ZINC000123079420 395891996 /nfs/dbraw/zinc/89/19/96/395891996.db2.gz XXUZAIMCYXMMAO-VIFPVBQESA-N 0 0 302.331 0.376 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCC2CCCCC2)C[C@@H](C)O1 ZINC000123238163 395892545 /nfs/dbraw/zinc/89/25/45/395892545.db2.gz BNEMUBHVDJMOCN-OCCSQVGLSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000123301446 395893644 /nfs/dbraw/zinc/89/36/44/395893644.db2.gz GZXHEZSQFARYBK-DGCLKSJQSA-N 0 0 305.382 0.431 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@H]1COCCN1)Cc1cccc(C)c1 ZINC000237114130 395903112 /nfs/dbraw/zinc/90/31/12/395903112.db2.gz AYENCOKIMZXDFD-LSDHHAIUSA-N 0 0 320.389 0.431 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)CCS1(=O)=O ZINC000125514598 395904167 /nfs/dbraw/zinc/90/41/67/395904167.db2.gz RCRGUIAYZLHVJO-QMMMGPOBSA-N 0 0 302.377 0.332 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000273263939 395910033 /nfs/dbraw/zinc/91/00/33/395910033.db2.gz LHZMPHMLCHFMQC-LBPRGKRZSA-N 0 0 301.350 0.709 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000129246945 395919902 /nfs/dbraw/zinc/91/99/02/395919902.db2.gz AWVMFOXWPPQHAI-HNNXBMFYSA-N 0 0 322.405 0.898 10 0 DCAERN CSC[C@@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131968832 395925576 /nfs/dbraw/zinc/92/55/76/395925576.db2.gz QDQWGKMBFVVMAS-SECBINFHSA-N 0 0 307.375 0.558 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000132280758 395926963 /nfs/dbraw/zinc/92/69/63/395926963.db2.gz ZWGHYQCIMXXPRG-NWDGAFQWSA-N 0 0 303.428 0.564 10 0 DCAERN CC[C@H](O)CN(CC(=O)N[C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000245396448 395927355 /nfs/dbraw/zinc/92/73/55/395927355.db2.gz LHJCFYGRNINSRO-HIFRSBDPSA-N 0 0 321.421 0.857 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@H]2CC(c3ccccc3)=NO2)C1 ZINC000245386001 395927550 /nfs/dbraw/zinc/92/75/50/395927550.db2.gz JCIBXIHZKIXNHI-UKRRQHHQSA-N 0 0 303.362 0.626 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271429972 395865727 /nfs/dbraw/zinc/86/57/27/395865727.db2.gz OOIPGCNAUDERFA-BIMULSAOSA-N 0 0 310.300 0.878 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000119085159 395866978 /nfs/dbraw/zinc/86/69/78/395866978.db2.gz IXNAPWPEOWPROK-LLVKDONJSA-N 0 0 314.349 0.674 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245398014 395928046 /nfs/dbraw/zinc/92/80/46/395928046.db2.gz RERRUMPEDDMKKU-OLZOCXBDSA-N 0 0 317.455 0.941 10 0 DCAERN Cc1ncsc1CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000119978400 395879970 /nfs/dbraw/zinc/87/99/70/395879970.db2.gz GSPPTMWWJDAITI-UHFFFAOYSA-N 0 0 324.450 0.428 10 0 DCAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C ZINC000053395134 395882029 /nfs/dbraw/zinc/88/20/29/395882029.db2.gz XUHZNJNFYXOVRD-AAEUAGOBSA-N 0 0 305.378 0.739 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc(N)nc(N(C)C)n1 ZINC000248854763 395998438 /nfs/dbraw/zinc/99/84/38/395998438.db2.gz QUHJZTGINOQIAX-FOGDFJRCSA-N 0 0 320.397 0.293 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000245758099 395936223 /nfs/dbraw/zinc/93/62/23/395936223.db2.gz DZZUSLPINJQMHE-LPWJVIDDSA-N 0 0 310.419 0.982 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000245931759 395938037 /nfs/dbraw/zinc/93/80/37/395938037.db2.gz ZFZIRIKLYTUCHD-RDBSUJKOSA-N 0 0 319.471 0.662 10 0 DCAERN O=C(NC[C@H]1COCCO1)NC1CCN(c2ccccn2)CC1 ZINC000057080357 395938580 /nfs/dbraw/zinc/93/85/80/395938580.db2.gz CQHNJOWCOWCGTR-AWEZNQCLSA-N 0 0 320.393 0.765 10 0 DCAERN C[C@H](CO)N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000135527961 395941451 /nfs/dbraw/zinc/94/14/51/395941451.db2.gz NFYSJWFXKKVHFU-MRVPVSSYSA-N 0 0 303.771 0.989 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000057290385 395942111 /nfs/dbraw/zinc/94/21/11/395942111.db2.gz BKBZPPUFQIYUPS-GFCCVEGCSA-N 0 0 303.318 0.967 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000246144057 395942616 /nfs/dbraw/zinc/94/26/16/395942616.db2.gz CVRVLWZPIBKHAS-UPJWGTAASA-N 0 0 321.377 0.501 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000246223493 395944546 /nfs/dbraw/zinc/94/45/46/395944546.db2.gz QCEYEZGAFNGMJN-OUCADQQQSA-N 0 0 311.426 0.910 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NC[C@@H]1CCCO1 ZINC000248863863 395999487 /nfs/dbraw/zinc/99/94/87/395999487.db2.gz SMTAAPVHILEONP-XPCVCDNBSA-N 0 0 310.394 0.555 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@@H]2C1 ZINC000246351679 395947899 /nfs/dbraw/zinc/94/78/99/395947899.db2.gz DDMYJOBYMGULCX-NWDGAFQWSA-N 0 0 301.412 0.053 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3nncs3)[C@H]2C1 ZINC000246496331 395951386 /nfs/dbraw/zinc/95/13/86/395951386.db2.gz KBVXKWHSETVNBZ-OUAUKWLOSA-N 0 0 312.395 0.745 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246769084 395956784 /nfs/dbraw/zinc/95/67/84/395956784.db2.gz PGEQXCUYNJMSLX-KBPBESRZSA-N 0 0 322.405 0.988 10 0 DCAERN Cn1cc(N2CCC[C@@H](N3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902527 396000213 /nfs/dbraw/zinc/00/02/13/396000213.db2.gz AMPVYVSVUPLMOP-ZBFHGGJFSA-N 0 0 320.393 0.407 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](O)C2)[C@H]1c1cccnc1 ZINC000246918220 395961092 /nfs/dbraw/zinc/96/10/92/395961092.db2.gz IEMRNDNSRMPDKT-VNHYZAJKSA-N 0 0 303.362 0.584 10 0 DCAERN O=C(c1ccnc(-n2cccn2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000274680748 395967182 /nfs/dbraw/zinc/96/71/82/395967182.db2.gz RGVAIZBHNCANCF-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN O=S(=O)(NN1CCOCC1)c1ccccc1Br ZINC000149925587 395970440 /nfs/dbraw/zinc/97/04/40/395970440.db2.gz QMBAHFBEOZGBST-UHFFFAOYSA-N 0 0 321.196 0.975 10 0 DCAERN C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000247338959 395971563 /nfs/dbraw/zinc/97/15/63/395971563.db2.gz GQDBZTHVBCDNSH-AGIUHOORSA-N 0 0 311.382 0.721 10 0 DCAERN CCOCCN1CCN(CC(=O)Nc2cc(C)no2)C[C@H]1C ZINC000247372395 395972691 /nfs/dbraw/zinc/97/26/91/395972691.db2.gz UUJJITUXHVZSSH-CYBMUJFWSA-N 0 0 310.398 0.964 10 0 DCAERN C[C@@H](NCCNS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000150864235 395973970 /nfs/dbraw/zinc/97/39/70/395973970.db2.gz OANIVJQUOIBLRP-LLVKDONJSA-N 0 0 309.395 0.467 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1n1ccnc1 ZINC000247641940 395977273 /nfs/dbraw/zinc/97/72/73/395977273.db2.gz OOHUZZXMWWGRKO-DGCLKSJQSA-N 0 0 309.395 0.888 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000247741719 395977925 /nfs/dbraw/zinc/97/79/25/395977925.db2.gz XBILHRSDCOEDKW-VXGBXAGGSA-N 0 0 322.365 0.221 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@@H](C)C1 ZINC000063854881 395983233 /nfs/dbraw/zinc/98/32/33/395983233.db2.gz OXPJFSGHDRKWOS-QMMMGPOBSA-N 0 0 304.393 0.565 10 0 DCAERN CCCS(=O)(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000151292232 395983260 /nfs/dbraw/zinc/98/32/60/395983260.db2.gz PJGYDMZSUWLIGD-UHFFFAOYSA-N 0 0 301.412 0.795 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC000276213323 395989266 /nfs/dbraw/zinc/98/92/66/395989266.db2.gz CIHBCSITCOGXEE-OSMZGAPFSA-N 0 0 304.346 0.799 10 0 DCAERN Cn1cc(CNC(=O)N[C@@H]2CCN(C)C2=O)c(C(F)(F)F)n1 ZINC000151705891 395990769 /nfs/dbraw/zinc/99/07/69/395990769.db2.gz CTTBILKIRWLXBU-MRVPVSSYSA-N 0 0 319.287 0.469 10 0 DCAERN COc1nccnc1N1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC000065268979 395992462 /nfs/dbraw/zinc/99/24/62/395992462.db2.gz HADWZLSPAQAPLU-LLVKDONJSA-N 0 0 314.349 0.626 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000248664201 395993626 /nfs/dbraw/zinc/99/36/26/395993626.db2.gz KSUZHGCTYAJJRE-UWVGGRQHSA-N 0 0 315.399 0.138 10 0 DCAERN O=C(NOC[C@H]1CCOC1)N[C@H]1CCN(c2ccccn2)C1 ZINC000248730894 395996395 /nfs/dbraw/zinc/99/63/95/395996395.db2.gz FSQFDQLCALLTGH-STQMWFEESA-N 0 0 306.366 0.928 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)NC[C@H]3CCCO3)CCO2)cn1 ZINC000248822094 395997325 /nfs/dbraw/zinc/99/73/25/395997325.db2.gz VZOBWERPWGVEBF-CABCVRRESA-N 0 0 322.409 0.572 10 0 DCAERN CCNC(=O)NC(=O)CN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153452930 396024975 /nfs/dbraw/zinc/02/49/75/396024975.db2.gz QKNFNJQINTZBDG-JTQLQIEISA-N 0 0 306.357 0.493 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153867180 396026501 /nfs/dbraw/zinc/02/65/01/396026501.db2.gz HWRCTBBYIOXJBS-NEPJUHHUSA-N 0 0 305.309 0.917 10 0 DCAERN CCOc1nnc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)s1 ZINC000253381345 396026542 /nfs/dbraw/zinc/02/65/42/396026542.db2.gz DKNCBXOIWBIRLK-WDEREUQCSA-N 0 0 300.428 0.824 10 0 DCAERN Cc1cc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)[nH]n1 ZINC000153957250 396027948 /nfs/dbraw/zinc/02/79/48/396027948.db2.gz BIRQCXKOTJNBSY-OAHLLOKOSA-N 0 0 306.410 0.974 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(Cl)cc1O ZINC000154139945 396032416 /nfs/dbraw/zinc/03/24/16/396032416.db2.gz GECVRXIEPKSSOL-LLVKDONJSA-N 0 0 314.769 0.469 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000276903902 396035313 /nfs/dbraw/zinc/03/53/13/396035313.db2.gz OFZRZLBTWAUQDU-OLZOCXBDSA-N 0 0 321.381 0.217 10 0 DCAERN Cc1nc(CC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)s1 ZINC000154293425 396036092 /nfs/dbraw/zinc/03/60/92/396036092.db2.gz HATQFGGGOMQCNE-QMMMGPOBSA-N 0 0 302.421 0.948 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000277073899 396048182 /nfs/dbraw/zinc/04/81/82/396048182.db2.gz PBZQMASMYQRTBN-TVQRCGJNSA-N 0 0 319.329 0.801 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)C(C)(C)C ZINC000155411816 396050692 /nfs/dbraw/zinc/05/06/92/396050692.db2.gz RCOOAJSRPPOPQW-SNVBAGLBSA-N 0 0 314.411 0.751 10 0 DCAERN C[C@@H]1CN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@@H](C)O1 ZINC000068368742 396054123 /nfs/dbraw/zinc/05/41/23/396054123.db2.gz AENLNWAWEJQJTF-DINFMJHZSA-N 0 0 309.366 0.391 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000277249645 396057668 /nfs/dbraw/zinc/05/76/68/396057668.db2.gz PWVVJFORANVJHQ-BNLOLNQZSA-N 0 0 315.373 0.996 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@H](C(N)=O)O1 ZINC000157403538 396063372 /nfs/dbraw/zinc/06/33/72/396063372.db2.gz HWTXQJJFHNYUHV-NXEZZACHSA-N 0 0 324.381 0.401 10 0 DCAERN Cc1cc(CC(=O)N2CCCN(c3cccnn3)CC2)[nH]n1 ZINC000152316818 396006179 /nfs/dbraw/zinc/00/61/79/396006179.db2.gz UCZLDTMVDJJQDL-UHFFFAOYSA-N 0 0 300.366 0.790 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250110601 396013672 /nfs/dbraw/zinc/01/36/72/396013672.db2.gz STXNYGUVRBREQF-STQMWFEESA-N 0 0 322.453 0.741 10 0 DCAERN c1cnn(-c2cncc(NC[C@@H]3CN(C4CC4)CCO3)n2)c1 ZINC000066745836 396013840 /nfs/dbraw/zinc/01/38/40/396013840.db2.gz AVZBWHJBUOJHEW-CYBMUJFWSA-N 0 0 300.366 0.937 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)[C@H](C)COC)CCO2)cn1 ZINC000251696898 396016560 /nfs/dbraw/zinc/01/65/60/396016560.db2.gz ISBVYCZWRLUOAK-YPMHNXCESA-N 0 0 317.411 0.641 10 0 DCAERN CC(C)CN(C(=O)CN1CCN(C(=O)[C@H](C)O)CC1)C(C)C ZINC000152893282 396017879 /nfs/dbraw/zinc/01/78/79/396017879.db2.gz RMCBIRXGJGCPHK-AWEZNQCLSA-N 0 0 313.442 0.404 10 0 DCAERN C[C@@H](O)Cn1cnc(Cl)c(I)c1=O ZINC000166339476 396088634 /nfs/dbraw/zinc/08/86/34/396088634.db2.gz XXTXTWWRNONWTC-SCSAIBSYSA-N 0 0 314.510 0.882 10 0 DCAERN Cn1ncc(N2CCC(NC(=O)C3CCOCC3)CC2)cc1=O ZINC000169762315 396091185 /nfs/dbraw/zinc/09/11/85/396091185.db2.gz GJGOTMZGPDNFOB-UHFFFAOYSA-N 0 0 320.393 0.292 10 0 DCAERN COCCn1ncc(N2CC[C@@H](C(=O)NCC(C)C)C2)cc1=O ZINC000169785490 396092771 /nfs/dbraw/zinc/09/27/71/396092771.db2.gz JRXXBOFLVIICJR-CYBMUJFWSA-N 0 0 322.409 0.488 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)C1CCCCC1)N1CCOCC1 ZINC000170839125 396098592 /nfs/dbraw/zinc/09/85/92/396098592.db2.gz WHQSZWURVBKIFN-UKRRQHHQSA-N 0 0 313.442 0.948 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853805 396098899 /nfs/dbraw/zinc/09/88/99/396098899.db2.gz LATABQWNGDEXPO-SNVBAGLBSA-N 0 0 319.390 0.661 10 0 DCAERN O=C(CN1CCO[C@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693884 396103443 /nfs/dbraw/zinc/10/34/43/396103443.db2.gz GQGBOYHFENWZRO-GJZGRUSLSA-N 0 0 324.421 0.995 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000171054083 396105629 /nfs/dbraw/zinc/10/56/29/396105629.db2.gz PLBUNWSWSNPLJA-DYLAAIIWSA-N 0 0 304.325 0.770 10 0 DCAERN O=C1NC[C@H]2CN(C[C@H](O)COCc3ccccc3)CCN12 ZINC000175763824 396142556 /nfs/dbraw/zinc/14/25/56/396142556.db2.gz VHXIFCISDLTJBO-GJZGRUSLSA-N 0 0 305.378 0.274 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N[C@H]1CCCn2ncnc21 ZINC000175821484 396142632 /nfs/dbraw/zinc/14/26/32/396142632.db2.gz YXQMWQRZOFNDLP-LBPRGKRZSA-N 0 0 320.397 0.861 10 0 DCAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@H]1CCCOC1 ZINC000171567326 396118723 /nfs/dbraw/zinc/11/87/23/396118723.db2.gz RITKCUFMVUORCR-NSHDSACASA-N 0 0 316.361 0.978 10 0 DCAERN COC(C)(C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000171585878 396119369 /nfs/dbraw/zinc/11/93/69/396119369.db2.gz QOZOYRSELBQKOQ-SECBINFHSA-N 0 0 300.380 0.936 10 0 DCAERN Cc1cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)n(C)n1 ZINC000171617804 396120415 /nfs/dbraw/zinc/12/04/15/396120415.db2.gz VJGBKRLDOUWBPI-GFCCVEGCSA-N 0 0 303.370 0.596 10 0 DCAERN C[C@H](CNC(=O)NCc1cccc(CO)c1)N1CCOCC1 ZINC000171620418 396120426 /nfs/dbraw/zinc/12/04/26/396120426.db2.gz QEHJZNSWUSHKTC-CYBMUJFWSA-N 0 0 307.394 0.699 10 0 DCAERN O=C(c1ccc2nccn2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172768578 396133066 /nfs/dbraw/zinc/13/30/66/396133066.db2.gz QVJCKELHJUZIGW-AWEZNQCLSA-N 0 0 300.362 0.881 10 0 DCAERN CCCc1cc(N2C[C@@H](C)O[C@H](C(=O)OC)C2)n2ncnc2n1 ZINC000162497868 396081548 /nfs/dbraw/zinc/08/15/48/396081548.db2.gz ZEYVKSLVPOUHEA-PWSUYJOCSA-N 0 0 319.365 0.844 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000076470962 396205124 /nfs/dbraw/zinc/20/51/24/396205124.db2.gz HMMZQPSRSOPRPK-NSHDSACASA-N 0 0 301.350 0.979 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCCSCC1 ZINC000280554104 396207947 /nfs/dbraw/zinc/20/79/47/396207947.db2.gz AYVQVIHPAVGWTE-HNNXBMFYSA-N 0 0 310.419 0.873 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000175952952 396147145 /nfs/dbraw/zinc/14/71/45/396147145.db2.gz VEQPYBZCJVYAEU-NSHDSACASA-N 0 0 315.333 0.983 10 0 DCAERN CN[C@@H](C(=O)N[C@H](C)Cc1c(C)nn(C)c1C)c1cnn(C)c1 ZINC000262508264 396148443 /nfs/dbraw/zinc/14/84/43/396148443.db2.gz JHGRRMJTHCGXKK-MEBBXXQBSA-N 0 0 318.425 0.778 10 0 DCAERN CC[C@@H](NC(=O)c1cnc2ccc(C)cn2c1=O)C(=O)OC ZINC000176191222 396150768 /nfs/dbraw/zinc/15/07/68/396150768.db2.gz IGQYCTOCAPKAPH-LLVKDONJSA-N 0 0 303.318 0.684 10 0 DCAERN CSc1ccccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000176439400 396155620 /nfs/dbraw/zinc/15/56/20/396155620.db2.gz HQJCUHBGWVBOHT-LBPRGKRZSA-N 0 0 310.419 0.831 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1cn(C)nc1C ZINC000176434433 396155654 /nfs/dbraw/zinc/15/56/54/396155654.db2.gz IRLUXOUOEMHAGG-SECBINFHSA-N 0 0 302.400 0.187 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)s1 ZINC000176933252 396163233 /nfs/dbraw/zinc/16/32/33/396163233.db2.gz SOSPMUHRVLEZSQ-SECBINFHSA-N 0 0 303.409 0.659 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000074356479 396164613 /nfs/dbraw/zinc/16/46/13/396164613.db2.gz XLYMDGSFYLEMQC-LLVKDONJSA-N 0 0 315.443 0.552 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NCC1(O)CCOCC1 ZINC000074534665 396168691 /nfs/dbraw/zinc/16/86/91/396168691.db2.gz AYRGHIOEGBHVIA-UHFFFAOYSA-N 0 0 310.398 0.880 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000177211607 396169449 /nfs/dbraw/zinc/16/94/49/396169449.db2.gz DQNUJABMIIYGGZ-LBPRGKRZSA-N 0 0 301.350 0.923 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000177234481 396170202 /nfs/dbraw/zinc/17/02/02/396170202.db2.gz JYNSFZKLLYNZRN-GXTWGEPZSA-N 0 0 320.393 0.570 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccncc2)C[C@H]1N1CCOCC1 ZINC000177298223 396171217 /nfs/dbraw/zinc/17/12/17/396171217.db2.gz IHDWKKLZXYOBFL-UKRRQHHQSA-N 0 0 304.394 0.944 10 0 DCAERN C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178848226 396211124 /nfs/dbraw/zinc/21/11/24/396211124.db2.gz ICHURTDZRKVTEK-ZYHUDNBSSA-N 0 0 312.391 0.710 10 0 DCAERN C[C@@H](SC[C@H](O)CO)C(=O)NCCc1ccc(F)cc1 ZINC000177423329 396174830 /nfs/dbraw/zinc/17/48/30/396174830.db2.gz TYNOOWWDVQJMNF-ZWNOBZJWSA-N 0 0 301.383 0.959 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000075656222 396184011 /nfs/dbraw/zinc/18/40/11/396184011.db2.gz IOVDFBIUKGNVBY-CYBMUJFWSA-N 0 0 317.455 0.906 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262950321 396193897 /nfs/dbraw/zinc/19/38/97/396193897.db2.gz OPQRVLJKUOHGDH-OLZOCXBDSA-N 0 0 300.399 0.912 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000178303337 396194154 /nfs/dbraw/zinc/19/41/54/396194154.db2.gz XKFMDYLMERKFOK-GFCCVEGCSA-N 0 0 313.427 0.622 10 0 DCAERN C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)c1nnc2n1CCCC2 ZINC000178373600 396195070 /nfs/dbraw/zinc/19/50/70/396195070.db2.gz SYVUPVZIICCXJL-MNOVXSKESA-N 0 0 314.411 0.774 10 0 DCAERN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000076097615 396196411 /nfs/dbraw/zinc/19/64/11/396196411.db2.gz KGEKKFNAMWOIHH-SKDRFNHKSA-N 0 0 310.375 0.943 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263072384 396200463 /nfs/dbraw/zinc/20/04/63/396200463.db2.gz WQVRHLFHMOPDBH-WDEREUQCSA-N 0 0 319.352 0.079 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CC(F)(F)CN1 ZINC000263075093 396200742 /nfs/dbraw/zinc/20/07/42/396200742.db2.gz WZLVCGCLZCLKRG-JTQLQIEISA-N 0 0 313.352 0.660 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280481460 396203642 /nfs/dbraw/zinc/20/36/42/396203642.db2.gz JWGKWURBWPIHLA-XHBSWPGZSA-N 0 0 322.361 0.804 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(S(=O)(=O)c1ccccc1N)CCO2 ZINC000280483800 396203668 /nfs/dbraw/zinc/20/36/68/396203668.db2.gz NXJNFOZXZINJTD-SMDDNHRTSA-N 0 0 312.391 0.837 10 0 DCAERN CCS(=O)(=O)CC(=O)NCCCc1c(C)nn(C)c1C ZINC000180802225 396234514 /nfs/dbraw/zinc/23/45/14/396234514.db2.gz WUEVHQMNUFYPHD-UHFFFAOYSA-N 0 0 301.412 0.520 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@@H]1O ZINC000408093006 296529980 /nfs/dbraw/zinc/52/99/80/296529980.db2.gz MOOOJYWSTUZXLL-IMSYWVGJSA-N 0 0 308.300 0.673 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000080434202 396281224 /nfs/dbraw/zinc/28/12/24/396281224.db2.gz KGQXXAYKOCZRKL-NSHDSACASA-N 0 0 318.377 0.751 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC(=O)NC(C)C ZINC000181647286 396240857 /nfs/dbraw/zinc/24/08/57/396240857.db2.gz SIRZTYSWHYRZTP-UHFFFAOYSA-N 0 0 305.338 0.231 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000181998170 396245057 /nfs/dbraw/zinc/24/50/57/396245057.db2.gz KTNFQOAWWLLGOJ-ZFWWWQNUSA-N 0 0 313.442 0.900 10 0 DCAERN CCC(CC)(NC(=O)c1cnc2c(cnn2C)c1OC)C(N)=O ZINC000182707219 396252660 /nfs/dbraw/zinc/25/26/60/396252660.db2.gz IFLCINCIERPLQR-UHFFFAOYSA-N 0 0 319.365 0.751 10 0 DCAERN NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC2CC2)cc1 ZINC000078739253 396252868 /nfs/dbraw/zinc/25/28/68/396252868.db2.gz MJGPKWBXDAOFAN-UHFFFAOYSA-N 0 0 318.420 0.206 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000281975073 396253266 /nfs/dbraw/zinc/25/32/66/396253266.db2.gz KFTDSKHXYKJAHA-UHFFFAOYSA-N 0 0 312.347 0.314 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)[C@H](C)N1CCOCC1 ZINC000182727007 396253295 /nfs/dbraw/zinc/25/32/95/396253295.db2.gz RJWULWUDCDBDNG-OLZOCXBDSA-N 0 0 310.402 0.077 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000182861932 396255985 /nfs/dbraw/zinc/25/59/85/396255985.db2.gz PMGARILITUDLDN-INIZCTEOSA-N 0 0 318.377 0.849 10 0 DCAERN Cc1sc(=O)n(CCC(=O)NCCCn2ccnn2)c1C ZINC000182911115 396256496 /nfs/dbraw/zinc/25/64/96/396256496.db2.gz VACXLCJXRIVPIL-UHFFFAOYSA-N 0 0 309.395 0.715 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCCCn1ccnn1)C(C)C ZINC000182935257 396256552 /nfs/dbraw/zinc/25/65/52/396256552.db2.gz YUKKNGLYUSBXOH-CQSZACIVSA-N 0 0 309.414 0.971 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000182907007 396256659 /nfs/dbraw/zinc/25/66/59/396256659.db2.gz KDBKHVIQZQZKLY-MRVPVSSYSA-N 0 0 314.748 0.842 10 0 DCAERN O=C(CCS(=O)(=O)C1CCCC1)NCCCn1ccnn1 ZINC000182921913 396256803 /nfs/dbraw/zinc/25/68/03/396256803.db2.gz DFQSIQJAWGVJLQ-UHFFFAOYSA-N 0 0 314.411 0.532 10 0 DCAERN O=C(NC1CCN(c2ccccn2)CC1)N1CCO[C@@H](CO)C1 ZINC000078895033 396257315 /nfs/dbraw/zinc/25/73/15/396257315.db2.gz ZGWDKRXZXBGIPJ-CQSZACIVSA-N 0 0 320.393 0.453 10 0 DCAERN CCCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000080600136 396282267 /nfs/dbraw/zinc/28/22/67/396282267.db2.gz QADZAHUHBHLZLH-GFCCVEGCSA-N 0 0 319.409 0.969 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000079252477 396263411 /nfs/dbraw/zinc/26/34/11/396263411.db2.gz MTSZUQTUYUGBNS-JSGCOSHPSA-N 0 0 312.414 0.017 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282113682 396264332 /nfs/dbraw/zinc/26/43/32/396264332.db2.gz JCUZRVOFFYUUTR-IUODEOHRSA-N 0 0 320.389 0.791 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H](C)C[S@@](C)=O)c1 ZINC000183184246 396264585 /nfs/dbraw/zinc/26/45/85/396264585.db2.gz JZPWNUVABMNDHI-MLCYQJTMSA-N 0 0 305.421 0.882 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2nc(-c3cccc(C)c3)no2)CCO1 ZINC000184059580 396282652 /nfs/dbraw/zinc/28/26/52/396282652.db2.gz PJUNCEIAJSNKAD-ZDUSSCGKSA-N 0 0 316.361 0.992 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H](C)C[S@](C)=O)c1 ZINC000183184203 396264985 /nfs/dbraw/zinc/26/49/85/396264985.db2.gz JZPWNUVABMNDHI-YPMLDQLKSA-N 0 0 305.421 0.882 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1-n1cnnn1 ZINC000183277439 396265540 /nfs/dbraw/zinc/26/55/40/396265540.db2.gz LDHZVEIJDAVHAC-UWVGGRQHSA-N 0 0 305.338 0.418 10 0 DCAERN CN1CCc2ccc(NC(=O)N[C@H]3CCC(=O)NC3=O)cc21 ZINC000183328538 396267381 /nfs/dbraw/zinc/26/73/81/396267381.db2.gz JVHHXSBQHMNPLS-NSHDSACASA-N 0 0 302.334 0.606 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NCCCn2ccnn2)n1 ZINC000183572268 396270716 /nfs/dbraw/zinc/27/07/16/396270716.db2.gz JCWAUFYUBKKKGH-UHFFFAOYSA-N 0 0 305.386 0.871 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(CCO)CC1)C(C)C ZINC000079833556 396270899 /nfs/dbraw/zinc/27/08/99/396270899.db2.gz LCRGTSKULOTVDA-OAHLLOKOSA-N 0 0 313.442 0.310 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)[nH]1 ZINC000183699621 396273062 /nfs/dbraw/zinc/27/30/62/396273062.db2.gz PZPBUQOQZYESLC-NSHDSACASA-N 0 0 304.354 0.243 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000079992163 396273961 /nfs/dbraw/zinc/27/39/61/396273961.db2.gz ODPYQCHRANZBKI-JSGCOSHPSA-N 0 0 301.408 0.840 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2nccn(C)c2=O)C[C@@H]1C ZINC000183792794 396275135 /nfs/dbraw/zinc/27/51/35/396275135.db2.gz KKAAGZPFJFBXJT-LBPRGKRZSA-N 0 0 323.397 0.355 10 0 DCAERN COc1cc(N2CCN(C(=O)CC[C@H]3CCOC3)CC2)ncn1 ZINC000183822351 396275807 /nfs/dbraw/zinc/27/58/07/396275807.db2.gz RRQHMHIAAZNIAW-ZDUSSCGKSA-N 0 0 320.393 0.951 10 0 DCAERN COc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)on1 ZINC000183976183 396279276 /nfs/dbraw/zinc/27/92/76/396279276.db2.gz HYPDBRDMKMGLAG-JTQLQIEISA-N 0 0 305.338 0.816 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NC[C@]3(O)CCOC3)CC2=O)cc1 ZINC000178944084 396216138 /nfs/dbraw/zinc/21/61/38/396216138.db2.gz DNPOMEXVIHABBB-SUMWQHHRSA-N 0 0 318.373 0.616 10 0 DCAERN Cc1cnc(CCN(C)C(=O)NCCNS(C)(=O)=O)s1 ZINC000179086276 396221547 /nfs/dbraw/zinc/22/15/47/396221547.db2.gz DOYJRSYKJPAKRP-UHFFFAOYSA-N 0 0 320.440 0.185 10 0 DCAERN Cc1cncc(CNS(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000179417988 396226481 /nfs/dbraw/zinc/22/64/81/396226481.db2.gz BMMRCMGDYXXLPR-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000077612383 396227275 /nfs/dbraw/zinc/22/72/75/396227275.db2.gz CPUIHBANYYCNRD-SWLSCSKDSA-N 0 0 318.377 0.243 10 0 DCAERN Cn1cnn(CC(=O)NCc2ccccc2OC2CCC2)c1=O ZINC000179507183 396227573 /nfs/dbraw/zinc/22/75/73/396227573.db2.gz CJXKXLKHCUYKOM-UHFFFAOYSA-N 0 0 316.361 0.830 10 0 DCAERN COCCCNC(=O)CN(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000184980135 396312880 /nfs/dbraw/zinc/31/28/80/396312880.db2.gz YGOSAGUFCVOIGQ-UHFFFAOYSA-N 0 0 321.381 0.660 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cnc21 ZINC000184996277 396313263 /nfs/dbraw/zinc/31/32/63/396313263.db2.gz CLCKDDDAIANBAN-SCZZXKLOSA-N 0 0 302.338 0.137 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000283158721 396313452 /nfs/dbraw/zinc/31/34/52/396313452.db2.gz GFSGZRDCFJVVHO-VHSXEESVSA-N 0 0 316.365 0.647 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000283158720 396313545 /nfs/dbraw/zinc/31/35/45/396313545.db2.gz GFSGZRDCFJVVHO-UWVGGRQHSA-N 0 0 316.365 0.647 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2nc(C)no2)CC1 ZINC000185023992 396314217 /nfs/dbraw/zinc/31/42/17/396314217.db2.gz JSHVEXXIALMNJL-GFCCVEGCSA-N 0 0 311.386 0.019 10 0 DCAERN CNC(=O)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000185045811 396315041 /nfs/dbraw/zinc/31/50/41/396315041.db2.gz KKRUGFGGQDAHHK-UHFFFAOYSA-N 0 0 303.362 1.000 10 0 DCAERN C[C@H](O)C(=O)N1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185045255 396315081 /nfs/dbraw/zinc/31/50/81/396315081.db2.gz IDBPVMNETMNMKL-NSHDSACASA-N 0 0 319.365 0.100 10 0 DCAERN Cc1cc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)no1 ZINC000185068165 396315722 /nfs/dbraw/zinc/31/57/22/396315722.db2.gz YMMDOPLYQTWSRC-SNVBAGLBSA-N 0 0 307.310 0.686 10 0 DCAERN CNC(=O)CC(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000185193040 396320942 /nfs/dbraw/zinc/32/09/42/396320942.db2.gz JNLXNDOSDLORMK-UHFFFAOYSA-N 0 0 303.322 0.233 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COCc2cccs2)C1 ZINC000185093524 396317525 /nfs/dbraw/zinc/31/75/25/396317525.db2.gz MZQRKAPHMGXYQD-LBPRGKRZSA-N 0 0 314.407 0.072 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCCOC1CCCCC1 ZINC000185137846 396318599 /nfs/dbraw/zinc/31/85/99/396318599.db2.gz FJMXEJZPNWEAKF-KGLIPLIRSA-N 0 0 314.426 0.270 10 0 DCAERN Cc1cccc(OCCCNC(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000185151023 396319280 /nfs/dbraw/zinc/31/92/80/396319280.db2.gz MDMBWGMPABLCRE-HUUCEWRRSA-N 0 0 322.405 0.308 10 0 DCAERN NC(=O)C[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000080681998 396284013 /nfs/dbraw/zinc/28/40/13/396284013.db2.gz HSUGVILASKRLDX-JTQLQIEISA-N 0 0 307.375 0.723 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCN(c2cccs2)C(=O)C1 ZINC000184096408 396285156 /nfs/dbraw/zinc/28/51/56/396285156.db2.gz XCCZZPCNWQSLKL-UHFFFAOYSA-N 0 0 305.363 0.674 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185151005 396319585 /nfs/dbraw/zinc/31/95/85/396319585.db2.gz NMTTWBPGQHJHTJ-BFYDXBDKSA-N 0 0 324.421 0.648 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000282416414 396288768 /nfs/dbraw/zinc/28/87/68/396288768.db2.gz FGMFPLYYCSUIBO-XVKPBYJWSA-N 0 0 304.318 0.910 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC(C)(C)CCOC)cn1 ZINC000184246381 396289497 /nfs/dbraw/zinc/28/94/97/396289497.db2.gz VMQKLFNYCCBAPK-UHFFFAOYSA-N 0 0 311.386 0.813 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)NCc1ccccc1F ZINC000185142849 396319805 /nfs/dbraw/zinc/31/98/05/396319805.db2.gz WCVRCWVNWYFHGD-MRXNPFEDSA-N 0 0 308.353 0.933 10 0 DCAERN CSc1nsc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000282856099 396292874 /nfs/dbraw/zinc/29/28/74/396292874.db2.gz WUMXFFNUWRNNHH-LURJTMIESA-N 0 0 301.397 0.954 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)Nc1nc2ccccn2n1 ZINC000184405049 396294651 /nfs/dbraw/zinc/29/46/51/396294651.db2.gz ONFZBRHACJKEST-AWEZNQCLSA-N 0 0 305.338 0.640 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000081305415 396297674 /nfs/dbraw/zinc/29/76/74/396297674.db2.gz CZURYSCNIGDOGY-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000184586409 396299588 /nfs/dbraw/zinc/29/95/88/396299588.db2.gz RQBPQYPPVOIVQJ-NSHDSACASA-N 0 0 306.366 0.791 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2Cc3ccccc3C3(CC3)C2)nn1 ZINC000184685743 396301443 /nfs/dbraw/zinc/30/14/43/396301443.db2.gz CDJWMLFRXZAJQV-UHFFFAOYSA-N 0 0 311.345 0.451 10 0 DCAERN O=C(CN1CCCN(C[C@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000185178934 396320346 /nfs/dbraw/zinc/32/03/46/396320346.db2.gz VGBSPBABYSNRHF-LBPRGKRZSA-N 0 0 323.359 0.540 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000184777678 396305959 /nfs/dbraw/zinc/30/59/59/396305959.db2.gz ZNVYFKPLUZQLQV-UHFFFAOYSA-N 0 0 301.350 0.711 10 0 DCAERN CCOCCONC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000184797625 396307335 /nfs/dbraw/zinc/30/73/35/396307335.db2.gz HQLNZDTYGLIWDH-UHFFFAOYSA-N 0 0 310.398 0.716 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000283294820 396327112 /nfs/dbraw/zinc/32/71/12/396327112.db2.gz CMTMJVUBGLSESV-SECBINFHSA-N 0 0 300.384 0.139 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185203447 396321649 /nfs/dbraw/zinc/32/16/49/396321649.db2.gz ZWVFOFAFMJWLSN-TXEJJXNPSA-N 0 0 307.398 0.479 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000185231090 396322289 /nfs/dbraw/zinc/32/22/89/396322289.db2.gz SDODYIBZENEBEL-UHFFFAOYSA-N 0 0 316.365 0.456 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000185283361 396324103 /nfs/dbraw/zinc/32/41/03/396324103.db2.gz RAHKSCXGKRGLJK-UHFFFAOYSA-N 0 0 324.352 0.958 10 0 DCAERN C[C@H]1CN(C(=O)c2cccnc2N2CCCC2)CCS1(=O)=O ZINC000265613347 396330219 /nfs/dbraw/zinc/33/02/19/396330219.db2.gz CSVFFFBEXOLMSR-LBPRGKRZSA-N 0 0 323.418 0.941 10 0 DCAERN CCOC(=O)N1CC[C@@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000185735339 396333878 /nfs/dbraw/zinc/33/38/78/396333878.db2.gz SUDHUAFIBLKHPV-GFCCVEGCSA-N 0 0 309.370 0.722 10 0 DCAERN COCCn1cc(N[C@H](C)C(=O)N(C)CC(=O)NC2CC2)cn1 ZINC000186226622 396345644 /nfs/dbraw/zinc/34/56/44/396345644.db2.gz IQHBRXBVIAIGJB-LLVKDONJSA-N 0 0 323.397 0.067 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cccnc2NC(C)C)C1 ZINC000186315273 396347428 /nfs/dbraw/zinc/34/74/28/396347428.db2.gz JBEIYOWDCGMYLX-UHFFFAOYSA-N 0 0 306.366 0.489 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000186134974 396341618 /nfs/dbraw/zinc/34/16/18/396341618.db2.gz FOBZSJKGXLKMBZ-INIZCTEOSA-N 0 0 316.361 0.991 10 0 DCAERN C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCn1ccnn1 ZINC000186635805 396354214 /nfs/dbraw/zinc/35/42/14/396354214.db2.gz NKBWCGRWEZPRDW-ZDUSSCGKSA-N 0 0 324.429 0.155 10 0 DCAERN COCc1ccc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)o1 ZINC000186662014 396354939 /nfs/dbraw/zinc/35/49/39/396354939.db2.gz YQVDHRXAOAQJOI-GFCCVEGCSA-N 0 0 321.377 0.462 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)c2cc3c(cn2)nc[nH]c3=O)[nH]n1 ZINC000186779970 396357487 /nfs/dbraw/zinc/35/74/87/396357487.db2.gz HXRCFBKLLVMAGJ-MRVPVSSYSA-N 0 0 312.333 0.711 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(C(=O)OC)CC1 ZINC000187001557 396361637 /nfs/dbraw/zinc/36/16/37/396361637.db2.gz FUBRMHKUIFUTEQ-SNVBAGLBSA-N 0 0 321.381 0.928 10 0 DCAERN C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@H](C)N1CCOCC1 ZINC000187033799 396362384 /nfs/dbraw/zinc/36/23/84/396362384.db2.gz WPTIPYACJJTAPS-RYUDHWBXSA-N 0 0 324.425 0.016 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187049833 396362485 /nfs/dbraw/zinc/36/24/85/396362485.db2.gz HGCUUQALGQKRMI-UHFFFAOYSA-N 0 0 306.366 0.754 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187258927 396365977 /nfs/dbraw/zinc/36/59/77/396365977.db2.gz KCWXICHPMYNETR-LLVKDONJSA-N 0 0 308.386 0.074 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N(C)CC1(CO)CC1 ZINC000187354376 396367875 /nfs/dbraw/zinc/36/78/75/396367875.db2.gz XUWPLMDOENAYTF-UHFFFAOYSA-N 0 0 310.398 0.905 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N(C)CC2(CO)CC2)c1CC ZINC000187336769 396368111 /nfs/dbraw/zinc/36/81/11/396368111.db2.gz XIRNVBMILFPUSU-UHFFFAOYSA-N 0 0 322.409 0.809 10 0 DCAERN C[C@@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)CCN1CCO ZINC000187676092 396372337 /nfs/dbraw/zinc/37/23/37/396372337.db2.gz PJSLVXQGPDLGQO-CZUORRHYSA-N 0 0 321.396 0.929 10 0 DCAERN O=C(CCn1cncn1)N1CCCN(c2ccccn2)CC1 ZINC000186381725 396348907 /nfs/dbraw/zinc/34/89/07/396348907.db2.gz LDSKJLPUPHWNHQ-UHFFFAOYSA-N 0 0 300.366 0.802 10 0 DCAERN NC(=O)CSCC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186414998 396349278 /nfs/dbraw/zinc/34/92/78/396349278.db2.gz OHNDKWZXLMXVOK-UHFFFAOYSA-N 0 0 308.407 0.339 10 0 DCAERN CC(C)C[C@@H](CO)N(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000186458789 396350003 /nfs/dbraw/zinc/35/00/03/396350003.db2.gz UPFDEMVXACVZQD-JTQLQIEISA-N 0 0 317.411 0.152 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCSc1ccccc1 ZINC000188457853 396382251 /nfs/dbraw/zinc/38/22/51/396382251.db2.gz NWFWZYUIGMJMPD-TZMCWYRMSA-N 0 0 308.403 0.877 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000188485647 396382419 /nfs/dbraw/zinc/38/24/19/396382419.db2.gz KUZUHLVVOFPTAM-UKRRQHHQSA-N 0 0 324.352 0.645 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)C1 ZINC000188557986 396383794 /nfs/dbraw/zinc/38/37/94/396383794.db2.gz ZSRKXIFCLYPTLA-HNNXBMFYSA-N 0 0 310.394 0.651 10 0 DCAERN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc2N1C ZINC000269085153 396384625 /nfs/dbraw/zinc/38/46/25/396384625.db2.gz MAMOOEWCQINPCG-ZYHUDNBSSA-N 0 0 319.361 0.297 10 0 DCAERN O=C(NCCn1cc(Br)cn1)[C@H]1CSC(=O)N1 ZINC000286290760 396385957 /nfs/dbraw/zinc/38/59/57/396385957.db2.gz DDCOIYARMJHMTB-SSDOTTSWSA-N 0 0 319.184 0.587 10 0 DCAERN CSC1(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000189030859 396389969 /nfs/dbraw/zinc/38/99/69/396389969.db2.gz LGENYZVWSXZYDB-LLVKDONJSA-N 0 0 318.464 0.909 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000189122762 396391584 /nfs/dbraw/zinc/39/15/84/396391584.db2.gz BBUXHGYYSHSGTG-UHFFFAOYSA-N 0 0 308.367 0.770 10 0 DCAERN COCCN1CCCN(C(=O)[C@H](O)c2ccccc2)CC1=O ZINC000189308036 396393511 /nfs/dbraw/zinc/39/35/11/396393511.db2.gz ZTQGWEMKZJTCMP-OAHLLOKOSA-N 0 0 306.362 0.427 10 0 DCAERN Cc1c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)sc2nccn12 ZINC000286432007 396394973 /nfs/dbraw/zinc/39/49/73/396394973.db2.gz SUOULJFIGVOTKI-ZJUUUORDSA-N 0 0 319.390 0.942 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189401096 396395328 /nfs/dbraw/zinc/39/53/28/396395328.db2.gz WQGJUDWCLAXQTF-UHFFFAOYSA-N 0 0 315.373 0.462 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)Cn1ncn(C)c1=O ZINC000189598164 396397034 /nfs/dbraw/zinc/39/70/34/396397034.db2.gz NENWVPNRDQHDND-GFCCVEGCSA-N 0 0 302.334 0.530 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC2)n[nH]1 ZINC000189741931 396398336 /nfs/dbraw/zinc/39/83/36/396398336.db2.gz PTPGPYIRWUEBKC-LBPRGKRZSA-N 0 0 321.425 0.918 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCCN(C)C(=O)C1 ZINC000189776691 396398985 /nfs/dbraw/zinc/39/89/85/396398985.db2.gz OBZHXOVPZGLRSE-UHFFFAOYSA-N 0 0 304.412 0.138 10 0 DCAERN C[C@H](C(=O)NCCc1nc(-c2ccccc2)n[nH]1)n1cncn1 ZINC000189779050 396399085 /nfs/dbraw/zinc/39/90/85/396399085.db2.gz GWXZHWLCLLLPRP-LLVKDONJSA-N 0 0 311.349 0.983 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCCN(C)C(=O)C3)cc12 ZINC000189797198 396399442 /nfs/dbraw/zinc/39/94/42/396399442.db2.gz LODXAUAUWSWCSB-UHFFFAOYSA-N 0 0 301.350 0.581 10 0 DCAERN Cn1nc(C(=O)N2CCCN(C)C(=O)C2)cc1OC(F)F ZINC000189802602 396399683 /nfs/dbraw/zinc/39/96/83/396399683.db2.gz FHVLKEPYAYYBSF-UHFFFAOYSA-N 0 0 302.281 0.326 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)n[nH]1 ZINC000189798669 396399792 /nfs/dbraw/zinc/39/97/92/396399792.db2.gz LJCVNLGARRZISH-UHFFFAOYSA-N 0 0 302.338 0.108 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(=O)N(CC)C1 ZINC000189984885 396401716 /nfs/dbraw/zinc/40/17/16/396401716.db2.gz SIONHSSXSPQPRZ-SNVBAGLBSA-N 0 0 306.370 0.507 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000190145376 396402991 /nfs/dbraw/zinc/40/29/91/396402991.db2.gz MBOBJGQDIFOCSU-QWHCGFSZSA-N 0 0 319.409 0.904 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCc2c(O)cccc21)S(C)(=O)=O ZINC000190236599 396403233 /nfs/dbraw/zinc/40/32/33/396403233.db2.gz YPUVKRIYNGDGTP-GFCCVEGCSA-N 0 0 312.391 0.777 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190523004 396407101 /nfs/dbraw/zinc/40/71/01/396407101.db2.gz BYCMLYXDOZUDNY-LBPRGKRZSA-N 0 0 309.370 0.122 10 0 DCAERN CCN1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1=O ZINC000190540756 396407724 /nfs/dbraw/zinc/40/77/24/396407724.db2.gz PCBJMJNDNXYDJS-UHFFFAOYSA-N 0 0 303.293 0.929 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000190566127 396408209 /nfs/dbraw/zinc/40/82/09/396408209.db2.gz ZEBOVNAFMCMFRA-LLVKDONJSA-N 0 0 305.334 0.276 10 0 DCAERN CCN1CN(C(=O)CCc2nc(-c3ccoc3)no2)CC1=O ZINC000190599421 396408409 /nfs/dbraw/zinc/40/84/09/396408409.db2.gz NAKMGUYMVDBSGZ-UHFFFAOYSA-N 0 0 304.306 0.910 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190683541 396410187 /nfs/dbraw/zinc/41/01/87/396410187.db2.gz GBHVYTHPTNVZIT-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H]1CCSCCN1C(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000287621485 396412101 /nfs/dbraw/zinc/41/21/01/396412101.db2.gz FKPJFSWMQVBGQM-MNOVXSKESA-N 0 0 323.422 0.583 10 0 DCAERN Cn1ccc(N2CCC[C@H](N3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091446 396415158 /nfs/dbraw/zinc/41/51/58/396415158.db2.gz OJTWWRYIOFKBNX-LBPRGKRZSA-N 0 0 305.382 0.080 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NC1CCOCC1 ZINC000191201590 396416605 /nfs/dbraw/zinc/41/66/05/396416605.db2.gz YJHWSQAXUZAOQK-KYOSRNDESA-N 0 0 310.394 0.555 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1nnc2ccccn21 ZINC000191176009 396416861 /nfs/dbraw/zinc/41/68/61/396416861.db2.gz TXUUIOUHFGUQBD-QWRGUYRKSA-N 0 0 316.365 0.710 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191464213 396419807 /nfs/dbraw/zinc/41/98/07/396419807.db2.gz NRFUQJQJYNHWHA-WDEREUQCSA-N 0 0 320.397 0.595 10 0 DCAERN CCN1CN([C@H](C)C(=O)NCc2ccccc2OC)CC1=O ZINC000191558419 396421052 /nfs/dbraw/zinc/42/10/52/396421052.db2.gz NOOBYVLQAFECHD-GFCCVEGCSA-N 0 0 305.378 0.822 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191544184 396421076 /nfs/dbraw/zinc/42/10/76/396421076.db2.gz SMACHGVFGQGAFW-QMTHXVAHSA-N 0 0 321.352 0.567 10 0 DCAERN CCOCCOCC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191717919 396423439 /nfs/dbraw/zinc/42/34/39/396423439.db2.gz DQHHJDQDPQUCDV-AWEZNQCLSA-N 0 0 311.382 0.856 10 0 DCAERN CN1C(=O)N[C@@]2(CCN(C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000269605907 396428389 /nfs/dbraw/zinc/42/83/89/396428389.db2.gz IWURXEJETJRAIV-CYBMUJFWSA-N 0 0 323.740 0.893 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CC(=O)NCC(C)C)CC2)n1 ZINC000192703846 396436079 /nfs/dbraw/zinc/43/60/79/396436079.db2.gz MPOUZYMCVSBJIM-LBPRGKRZSA-N 0 0 309.414 0.829 10 0 DCAERN O=C(NCCCCCCO)N1CCN(c2cccnn2)CC1 ZINC000192729274 396436471 /nfs/dbraw/zinc/43/64/71/396436471.db2.gz HHFCYXLDPYCKHN-UHFFFAOYSA-N 0 0 307.398 0.861 10 0 DCAERN CC(C)[C@@H](NCc1nc(N(C)C)no1)C(=O)N1CCOCC1 ZINC000192784547 396437271 /nfs/dbraw/zinc/43/72/71/396437271.db2.gz AIQCIEFYYBAKPM-GFCCVEGCSA-N 0 0 311.386 0.109 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccnn1C ZINC000192881475 396439790 /nfs/dbraw/zinc/43/97/90/396439790.db2.gz LPKUAWHBLJTUHJ-UHFFFAOYSA-N 0 0 300.318 0.957 10 0 DCAERN CCCNc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000193010043 396442393 /nfs/dbraw/zinc/44/23/93/396442393.db2.gz YLOKIOLSKNRBEK-LBPRGKRZSA-N 0 0 304.350 0.723 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000188080132 396378608 /nfs/dbraw/zinc/37/86/08/396378608.db2.gz OAPFMFXJKOQJHE-NSHDSACASA-N 0 0 310.398 0.355 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000515179368 396500372 /nfs/dbraw/zinc/50/03/72/396500372.db2.gz JZHMZDZCPQOWLM-IONNQARKSA-N 0 0 301.286 0.089 10 0 DCAERN O=C(C[C@H](O)Cc1ccccc1)N1CCO[C@]2(CCOC2)C1 ZINC000580809523 396501435 /nfs/dbraw/zinc/50/14/35/396501435.db2.gz SMYSGVGDIRDGSW-NVXWUHKLSA-N 0 0 305.374 0.998 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)c(C2CC2)n1 ZINC000291739177 396509944 /nfs/dbraw/zinc/50/99/44/396509944.db2.gz LNUANVGSPSDEEV-LLVKDONJSA-N 0 0 306.366 0.465 10 0 DCAERN O=C(c1cccc2c1OCCO2)N1CCN2CCOC[C@@H]2C1 ZINC000371795168 396476746 /nfs/dbraw/zinc/47/67/46/396476746.db2.gz KJNOYFBALHRCJW-LBPRGKRZSA-N 0 0 304.346 0.614 10 0 DCAERN CCO[C@H]1C[C@@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291471043 396492377 /nfs/dbraw/zinc/49/23/77/396492377.db2.gz FEBJBIIPCWUDKP-SDBXPKJASA-N 0 0 305.334 0.946 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000594852557 396528230 /nfs/dbraw/zinc/52/82/30/396528230.db2.gz RFSYOLFWCOSYHA-GHMZBOCLSA-N 0 0 308.400 0.273 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2nn(C)cc2Br)C1 ZINC000292758061 396567435 /nfs/dbraw/zinc/56/74/35/396567435.db2.gz VJZFYQCTHVXCJV-ZETCQYMHSA-N 0 0 316.155 0.818 10 0 DCAERN COC1(CNC(=O)N2CCN(Cc3nc(C)no3)CC2)CCC1 ZINC000581685616 396575766 /nfs/dbraw/zinc/57/57/66/396575766.db2.gz RPZZSKVLKIGWTC-UHFFFAOYSA-N 0 0 323.397 0.774 10 0 DCAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000292967913 396579086 /nfs/dbraw/zinc/57/90/86/396579086.db2.gz DDUUZTJNSPMQQU-RNFRBKRXSA-N 0 0 313.301 0.895 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCOC[C@H](C3CCC3)C2)c1=O ZINC000293972145 396645201 /nfs/dbraw/zinc/64/52/01/396645201.db2.gz UTERDDRNXLWZPW-LLVKDONJSA-N 0 0 307.350 0.375 10 0 DCAERN O=C(Cc1ccc(F)cc1)NCCCN1CCCS1(=O)=O ZINC000585737987 396651989 /nfs/dbraw/zinc/65/19/89/396651989.db2.gz IICCHNOSTXTHRC-UHFFFAOYSA-N 0 0 314.382 0.910 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cc(Cl)ccn1 ZINC000585736047 396652230 /nfs/dbraw/zinc/65/22/30/396652230.db2.gz OEKYGQUTBDDXEX-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531218268 396591961 /nfs/dbraw/zinc/59/19/61/396591961.db2.gz XPBMUIQXRDMTNR-LLVKDONJSA-N 0 0 306.366 0.779 10 0 DCAERN CC1(C)CN(C(=O)C2(S(C)(=O)=O)CC2)C[C@]2(CCOC2)O1 ZINC000373628433 396604109 /nfs/dbraw/zinc/60/41/09/396604109.db2.gz KRCUIRTWILJIPC-ZDUSSCGKSA-N 0 0 317.407 0.360 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373686025 396607288 /nfs/dbraw/zinc/60/72/88/396607288.db2.gz VYSLWTGKTZOYPQ-CQSZACIVSA-N 0 0 318.439 0.843 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000373913310 396623336 /nfs/dbraw/zinc/62/33/36/396623336.db2.gz UGKQMZRYZOKHGP-AGIUHOORSA-N 0 0 317.455 0.352 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 ZINC000374436694 396664312 /nfs/dbraw/zinc/66/43/12/396664312.db2.gz LFDOVVADLKDWKH-GHMZBOCLSA-N 0 0 308.338 0.371 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)Cc2ccccc2O1 ZINC000294427338 396674050 /nfs/dbraw/zinc/67/40/50/396674050.db2.gz YKDSUGZVGXUPEB-SNVBAGLBSA-N 0 0 303.318 0.348 10 0 DCAERN COCCN1CN(C(=O)[C@H]2COc3ccc(F)cc3C2)CC1=O ZINC000374638882 396677813 /nfs/dbraw/zinc/67/78/13/396677813.db2.gz WFDSTZXFMREYFD-GFCCVEGCSA-N 0 0 322.336 0.652 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2COc3ccccc3C2=O)cn1 ZINC000562742301 396678158 /nfs/dbraw/zinc/67/81/58/396678158.db2.gz CZMMSFCXVZCFHN-LBPRGKRZSA-N 0 0 301.302 0.559 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000374925805 396698878 /nfs/dbraw/zinc/69/88/78/396698878.db2.gz DHNKEYMOXPNMNV-GFCCVEGCSA-N 0 0 312.391 0.711 10 0 DCAERN COc1cc(OC)cc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000374974040 396701839 /nfs/dbraw/zinc/70/18/39/396701839.db2.gz VXYVFXLEINXYHC-CYBMUJFWSA-N 0 0 306.362 0.860 10 0 DCAERN CCC[C@]1(C)NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047766 396706441 /nfs/dbraw/zinc/70/64/41/396706441.db2.gz FHRPTOWWAODLPE-WBMJQRKESA-N 0 0 323.393 0.877 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000300239210 396715163 /nfs/dbraw/zinc/71/51/63/396715163.db2.gz JLNZSBAQQXIPLF-UTUOFQBUSA-N 0 0 306.428 0.433 10 0 DCAERN Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C ZINC000302256042 396718560 /nfs/dbraw/zinc/71/85/60/396718560.db2.gz BXLBRXLEEMBBIH-UHFFFAOYSA-N 0 0 312.377 0.914 10 0 DCAERN Cn1cc(OCC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cn1 ZINC000563255438 396718662 /nfs/dbraw/zinc/71/86/62/396718662.db2.gz HMQIKKSZEVSCOJ-GFCCVEGCSA-N 0 0 324.406 0.227 10 0 DCAERN Cc1nc2ccc(N3C[C@@H](C(N)=O)[C@H](C(F)(F)F)C3)nn2n1 ZINC000375241111 396720960 /nfs/dbraw/zinc/72/09/60/396720960.db2.gz QVGRRJJYZRFUKW-HTQZYQBOSA-N 0 0 314.271 0.533 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cnc2n1CCCC2 ZINC000375294552 396724628 /nfs/dbraw/zinc/72/46/28/396724628.db2.gz WKEHEUGUTPEAJM-LBPRGKRZSA-N 0 0 308.407 0.757 10 0 DCAERN CS(=O)(=O)NCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375424212 396741440 /nfs/dbraw/zinc/74/14/40/396741440.db2.gz GFROLTPNWKZMFI-JTQLQIEISA-N 0 0 300.384 0.286 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C ZINC000617501752 396742048 /nfs/dbraw/zinc/74/20/48/396742048.db2.gz WULOITXXBNPRKO-HIFRSBDPSA-N 0 0 317.389 0.851 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633917003 396742856 /nfs/dbraw/zinc/74/28/56/396742856.db2.gz UPPJCXPMJLNRSX-NSHDSACASA-N 0 0 306.341 0.876 10 0 DCAERN O=C(CSc1nnnn1C1CC1)NCC[C@@H](O)C(F)F ZINC000633993827 396766705 /nfs/dbraw/zinc/76/67/05/396766705.db2.gz PJLMMBHJULRQRX-SSDOTTSWSA-N 0 0 307.326 0.232 10 0 DCAERN CN1CC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629502437 396772196 /nfs/dbraw/zinc/77/21/96/396772196.db2.gz GSUNQFYECVSZKV-CYBMUJFWSA-N 0 0 304.350 0.176 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000634239589 396819227 /nfs/dbraw/zinc/81/92/27/396819227.db2.gz PZNWVMHXBPOXPB-GRYCIOLGSA-N 0 0 322.327 0.874 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@@H]3OCC[C@H]3C)C1)C2 ZINC000328625637 396823927 /nfs/dbraw/zinc/82/39/27/396823927.db2.gz DJSRAORDRGZYRN-QMTHXVAHSA-N 0 0 305.382 0.038 10 0 DCAERN CN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328621772 396825472 /nfs/dbraw/zinc/82/54/72/396825472.db2.gz AUBSBBGAGMPVFW-KBPBESRZSA-N 0 0 319.388 0.650 10 0 DCAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)[C@@H]2CCOC2=O)no1 ZINC000328629433 396826725 /nfs/dbraw/zinc/82/67/25/396826725.db2.gz IFIDXYPNAMTUEP-SDDRHHMPSA-N 0 0 312.345 0.538 10 0 DCAERN CC(C)(C)n1ncn(Cc2nnn(CC(F)(F)F)n2)c1=O ZINC000329775043 396849387 /nfs/dbraw/zinc/84/93/87/396849387.db2.gz IYRDCLIEWPDOKY-UHFFFAOYSA-N 0 0 305.264 0.397 10 0 DCAERN Cn1nccc1S(=O)(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000564650180 396850421 /nfs/dbraw/zinc/85/04/21/396850421.db2.gz WLRCAIBXIJBZBS-LLVKDONJSA-N 0 0 323.374 0.929 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(n3ccnn3)C1)CO2 ZINC000375781002 396816868 /nfs/dbraw/zinc/81/68/68/396816868.db2.gz SIZQIZPOTLKVDZ-GFCCVEGCSA-N 0 0 314.345 0.921 10 0 DCAERN COC(=O)[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000611614279 396894722 /nfs/dbraw/zinc/89/47/22/396894722.db2.gz FKYIOSWYGWWAPY-JIMOISOXSA-N 0 0 306.366 0.455 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1CCC[C@](F)(CO)C1 ZINC000376420735 396926056 /nfs/dbraw/zinc/92/60/56/396926056.db2.gz LINLTVAMFIXWRZ-GXFFZTMASA-N 0 0 310.316 0.275 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(F)c(F)c1F ZINC000625593396 396940107 /nfs/dbraw/zinc/94/01/07/396940107.db2.gz AIEOAQMWMSDJHW-JGVFFNPUSA-N 0 0 311.281 0.532 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCOC[C@H]1O ZINC000625593495 396940407 /nfs/dbraw/zinc/94/04/07/396940407.db2.gz BFBUYANPJOVDDJ-VHSXEESVSA-N 0 0 321.782 0.777 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cccc3c2NC(=O)CO3)CC1 ZINC000630345878 396988797 /nfs/dbraw/zinc/98/87/97/396988797.db2.gz RKJNPERIUYGASG-UHFFFAOYSA-N 0 0 318.333 0.714 10 0 DCAERN COC(=O)[C@@H]1CCn2c(nnc2C(=O)Nc2ccccn2)C1 ZINC000601045836 396997918 /nfs/dbraw/zinc/99/79/18/396997918.db2.gz YSULKSXCKMSPMD-SECBINFHSA-N 0 0 301.306 0.661 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccccc2O)CCN1S(C)(=O)=O ZINC000618675131 397009402 /nfs/dbraw/zinc/00/94/02/397009402.db2.gz DEFYIYWKBPQKGF-LLVKDONJSA-N 0 0 312.391 0.427 10 0 DCAERN Cc1cnn(CCC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618679574 397011509 /nfs/dbraw/zinc/01/15/09/397011509.db2.gz LXLGHQQXMFCLES-GFCCVEGCSA-N 0 0 314.411 0.074 10 0 DCAERN Cc1cc(C2(C(=O)N3CCNC(=O)C[C@@H]3C)CCOCC2)on1 ZINC000625824766 397011466 /nfs/dbraw/zinc/01/14/66/397011466.db2.gz NFPBLUBICSTNCV-LBPRGKRZSA-N 0 0 321.377 0.768 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2c1ncn2C ZINC000618686564 397012894 /nfs/dbraw/zinc/01/28/94/397012894.db2.gz BYNOMVZQRFUPTH-IUCAKERBSA-N 0 0 320.353 0.232 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618749125 397021233 /nfs/dbraw/zinc/02/12/33/397021233.db2.gz RHOSPAOTXXSTEF-LZLYRXPVSA-N 0 0 314.385 0.943 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)OCC(C)C ZINC000618754144 397022527 /nfs/dbraw/zinc/02/25/27/397022527.db2.gz DHSISOKFHCAZSB-SDDRHHMPSA-N 0 0 316.398 0.620 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCn1ccnc1 ZINC000618754140 397022606 /nfs/dbraw/zinc/02/26/06/397022606.db2.gz DENGGLDKXIKRRW-NWDGAFQWSA-N 0 0 324.381 0.236 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)C1CC1 ZINC000618809012 397027216 /nfs/dbraw/zinc/02/72/16/397027216.db2.gz PULOUGMIDKJLBZ-VWYCJHECSA-N 0 0 313.398 0.788 10 0 DCAERN CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376795834 396979572 /nfs/dbraw/zinc/97/95/72/396979572.db2.gz HGHGQHXRLXHQDD-JTQLQIEISA-N 0 0 314.386 0.418 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@H](CC(N)=O)C2)cc1 ZINC000626077392 397069574 /nfs/dbraw/zinc/06/95/74/397069574.db2.gz IXMSUGMHFBPRKJ-CQSZACIVSA-N 0 0 319.361 0.404 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)c(Cl)c1 ZINC000377348640 397070431 /nfs/dbraw/zinc/07/04/31/397070431.db2.gz XNNXIOFHMBVHRB-GFCCVEGCSA-N 0 0 318.782 0.259 10 0 DCAERN O=C(CS(=O)(=O)[C@@H]1CCOC1)Nc1ccc2c(c1)OCO2 ZINC000572337469 397047451 /nfs/dbraw/zinc/04/74/51/397047451.db2.gz YWLUZTMXQYKLAK-SNVBAGLBSA-N 0 0 313.331 0.558 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000626274732 397126673 /nfs/dbraw/zinc/12/66/73/397126673.db2.gz YDZAMNXRPRFKQD-VIFPVBQESA-N 0 0 323.397 0.396 10 0 DCAERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000573103384 397135026 /nfs/dbraw/zinc/13/50/26/397135026.db2.gz BUIOVAVANXBCCV-QWRGUYRKSA-N 0 0 302.334 0.548 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000612809962 397140914 /nfs/dbraw/zinc/14/09/14/397140914.db2.gz UEXVPILBBTWNHC-SECBINFHSA-N 0 0 318.337 0.437 10 0 DCAERN CSCCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000619645070 397170587 /nfs/dbraw/zinc/17/05/87/397170587.db2.gz OQDCHFQIVCSXKH-UHFFFAOYSA-N 0 0 307.375 0.841 10 0 DCAERN COC(=O)c1csc(NC(=O)C(=O)N(C)CCCO)c1C ZINC000619685250 397175449 /nfs/dbraw/zinc/17/54/49/397175449.db2.gz DULAXVWLMYQZJP-UHFFFAOYSA-N 0 0 314.363 0.622 10 0 DCAERN C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000630853668 397118708 /nfs/dbraw/zinc/11/87/08/397118708.db2.gz YQZOMOYOFRESSH-UPJWGTAASA-N 0 0 306.414 0.996 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000630860267 397120512 /nfs/dbraw/zinc/12/05/12/397120512.db2.gz MAJKQRZXQBKUHR-KGLIPLIRSA-N 0 0 301.346 0.441 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000619377376 397121810 /nfs/dbraw/zinc/12/18/10/397121810.db2.gz ZIFCMJVHVQHQTF-JTQLQIEISA-N 0 0 317.407 0.754 10 0 DCAERN CCN1CC[C@H](NC(=O)NC2CCC(C(=O)OC)CC2)C1=O ZINC000619817788 397195760 /nfs/dbraw/zinc/19/57/60/397195760.db2.gz ZLMVYUADYQEDDI-MCIGGMRASA-N 0 0 311.382 0.638 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)c1 ZINC000573711159 397198800 /nfs/dbraw/zinc/19/88/00/397198800.db2.gz WXUXBRFKDJCTMY-UHFFFAOYSA-N 0 0 316.405 0.907 10 0 DCAERN COCc1cncc(C(=O)Nc2cnn(CC(=O)OC)c2)c1 ZINC000613178657 397210321 /nfs/dbraw/zinc/21/03/21/397210321.db2.gz RXMQMFJGUVRILH-UHFFFAOYSA-N 0 0 304.306 0.850 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1O ZINC000613184569 397212773 /nfs/dbraw/zinc/21/27/73/397212773.db2.gz YILIHNIOEZNNNQ-SSDOTTSWSA-N 0 0 300.336 0.002 10 0 DCAERN COC1(CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000364585613 397224332 /nfs/dbraw/zinc/22/43/32/397224332.db2.gz JAEROBCXGUNEHK-ZDUSSCGKSA-N 0 0 310.394 0.842 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCOCC[C@H]2C)C1 ZINC000378486799 397246280 /nfs/dbraw/zinc/24/62/80/397246280.db2.gz DLBPMTVIAHUDNP-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN O=C(COCc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000380880602 397270891 /nfs/dbraw/zinc/27/08/91/397270891.db2.gz CIFUPZDPFMYJGJ-HNNXBMFYSA-N 0 0 303.318 0.014 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)c1ccnc2c1CC(=O)N2 ZINC000613412766 397255806 /nfs/dbraw/zinc/25/58/06/397255806.db2.gz FFWLQYNDEPOHPC-JTQLQIEISA-N 0 0 303.318 0.396 10 0 DCAERN O=C1CSc2ncnc(N3CCN(CCCO)CC3)c2N1 ZINC000365262266 397256732 /nfs/dbraw/zinc/25/67/32/397256732.db2.gz UFQFOVHGSPXRRH-UHFFFAOYSA-N 0 0 309.395 0.025 10 0 DCAERN C[C@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)CC(=O)N1C ZINC000407950528 397333142 /nfs/dbraw/zinc/33/31/42/397333142.db2.gz AITGVITWANXNPO-FVINQWEUSA-N 0 0 301.412 0.160 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000407950318 397333147 /nfs/dbraw/zinc/33/31/47/397333147.db2.gz WFTCDNIRIZQMQC-JTQLQIEISA-N 0 0 300.384 0.590 10 0 DCAERN CN(CCCNC(=O)Cn1ncc2ccccc21)S(C)(=O)=O ZINC000593150030 397333383 /nfs/dbraw/zinc/33/33/83/397333383.db2.gz XZPQPTSBZCOBMP-UHFFFAOYSA-N 0 0 324.406 0.434 10 0 DCAERN CO[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000407959174 397337142 /nfs/dbraw/zinc/33/71/42/397337142.db2.gz RCCMZYFYBAMUPV-ZFWWWQNUSA-N 0 0 306.366 0.236 10 0 DCAERN O=C(c1cccc2c1OCCO2)N1CCN(C2CC2)C(=O)C1 ZINC000407959928 397337148 /nfs/dbraw/zinc/33/71/48/397337148.db2.gz XQYHYHIDXKTNPP-UHFFFAOYSA-N 0 0 302.330 0.905 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC(=O)N1 ZINC000407961285 397337761 /nfs/dbraw/zinc/33/77/61/397337761.db2.gz CNFBLUQYSDODRZ-LSSIXWDNSA-N 0 0 310.394 0.949 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)c2ccnn2C)c1 ZINC000577530721 397341022 /nfs/dbraw/zinc/34/10/22/397341022.db2.gz NCIDVPVGOGIZPD-ZDUSSCGKSA-N 0 0 323.374 0.635 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408056553 397344963 /nfs/dbraw/zinc/34/49/63/397344963.db2.gz IVRMMLZCQWDREV-OCCSQVGLSA-N 0 0 320.393 0.577 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1O ZINC000408095781 397347202 /nfs/dbraw/zinc/34/72/02/397347202.db2.gz QFXUXBRRYVTKHR-MNOVXSKESA-N 0 0 309.366 0.080 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408166681 397348975 /nfs/dbraw/zinc/34/89/75/397348975.db2.gz SSMDFZPYKFRVHX-ZNSHCXBVSA-N 0 0 304.412 0.181 10 0 DCAERN C[C@@H]1N(C(=O)CS(=O)(=O)N(C)C)CCC12CCOCC2 ZINC000408206154 397350234 /nfs/dbraw/zinc/35/02/34/397350234.db2.gz MWDUQBAJMOGKGC-NSHDSACASA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H](C(N)=O)C1 ZINC000408379021 397354920 /nfs/dbraw/zinc/35/49/20/397354920.db2.gz YDKIGSBSFJXLBA-JOYOIKCWSA-N 0 0 301.350 0.694 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1CO ZINC000621309004 397370986 /nfs/dbraw/zinc/37/09/86/397370986.db2.gz ULHJDYJPABDHHC-DTWKUNHWSA-N 0 0 307.803 0.713 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc(N3CCC3)nc2)CC1 ZINC000621312221 397371342 /nfs/dbraw/zinc/37/13/42/397371342.db2.gz NKNPSLHJBJLHNM-UHFFFAOYSA-N 0 0 302.378 0.986 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404112592 397327012 /nfs/dbraw/zinc/32/70/12/397327012.db2.gz FBALCAFWSWEFCH-STQMWFEESA-N 0 0 300.355 0.577 10 0 DCAERN CC(C)[C@@](C)(O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602428769 397398194 /nfs/dbraw/zinc/39/81/94/397398194.db2.gz PQFKJDRCPKUHTR-ZDUSSCGKSA-N 0 0 321.443 0.118 10 0 DCAERN Cc1ccc(S(=O)(=O)N(C)Cc2nnnn2C)cc1N(C)C ZINC000472338747 397453454 /nfs/dbraw/zinc/45/34/54/397453454.db2.gz BDQWGTBHSYGZBI-UHFFFAOYSA-N 0 0 324.410 0.405 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000367726578 397407808 /nfs/dbraw/zinc/40/78/08/397407808.db2.gz SLDGTKTZESLNHP-JHJVBQTASA-N 0 0 308.378 0.799 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000442501763 397414056 /nfs/dbraw/zinc/41/40/56/397414056.db2.gz UOMFYJWAMBTKEL-AUTRQRHGSA-N 0 0 323.315 0.752 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)n1C ZINC000487125260 397466962 /nfs/dbraw/zinc/46/69/62/397466962.db2.gz SNNYPQPIHOPYMT-GHMZBOCLSA-N 0 0 309.366 0.520 10 0 DCAERN Cn1ccnc1[C@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000370357825 397475088 /nfs/dbraw/zinc/47/50/88/397475088.db2.gz MMRYBGNRBYNRRK-GFCCVEGCSA-N 0 0 319.365 0.054 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(SC)CCC1 ZINC000488304079 397489339 /nfs/dbraw/zinc/48/93/39/397489339.db2.gz BWOVJWZTWKHWSK-VHSXEESVSA-N 0 0 316.423 0.845 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(CC)c1 ZINC000488153961 397486397 /nfs/dbraw/zinc/48/63/97/397486397.db2.gz UGQPXPLZXMERRZ-NXEZZACHSA-N 0 0 310.354 0.089 10 0 DCAERN CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)c1C ZINC000578801746 397486648 /nfs/dbraw/zinc/48/66/48/397486648.db2.gz UAYZWQGIEZBKDJ-QWHCGFSZSA-N 0 0 322.409 0.820 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000370722605 397517794 /nfs/dbraw/zinc/51/77/94/397517794.db2.gz UCQCUWMTKBTBCD-FDYHWXHSSA-N 0 0 308.378 0.703 10 0 DCAERN CCN(C[C@H](O)COC[C@H]1CCCO1)[C@H](C)CS(C)(=O)=O ZINC000602958851 397534351 /nfs/dbraw/zinc/53/43/51/397534351.db2.gz VCRXBDWMGNDHSM-HZSPNIEDSA-N 0 0 323.455 0.298 10 0 DCAERN CC(C)c1cc(C(=O)NCCCN2CCCS2(=O)=O)on1 ZINC000603684809 397619548 /nfs/dbraw/zinc/61/95/48/397619548.db2.gz WADFBMFJJKKWRB-UHFFFAOYSA-N 0 0 315.395 0.953 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604578446 397644715 /nfs/dbraw/zinc/64/47/15/397644715.db2.gz XPUNUCCFVCOTRV-IUCAKERBSA-N 0 0 315.370 0.928 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)Cn3cccn3)CCO2)n1 ZINC000608246607 397723395 /nfs/dbraw/zinc/72/33/95/397723395.db2.gz LSXHFWWHGMVEEZ-ZDUSSCGKSA-N 0 0 304.354 0.019 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)Nc1ccc2nccn2c1 ZINC000605306218 397663146 /nfs/dbraw/zinc/66/31/46/397663146.db2.gz JBNXZCQFYULOPB-UHFFFAOYSA-N 0 0 317.349 0.305 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCCOCC3CC3)CC2)n1 ZINC000606503122 397682873 /nfs/dbraw/zinc/68/28/73/397682873.db2.gz VHCCQYHRZXGBMI-UHFFFAOYSA-N 0 0 323.397 0.632 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000607281344 397700469 /nfs/dbraw/zinc/70/04/69/397700469.db2.gz FQVJJIIKPNWIFP-GFCCVEGCSA-N 0 0 308.300 0.819 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cn1 ZINC000609889489 397796770 /nfs/dbraw/zinc/79/67/70/397796770.db2.gz XBTYQGNZGYHJSL-ZDUSSCGKSA-N 0 0 319.361 0.997 10 0 DCAERN COC(=O)[C@H](NC(=O)c1cn2cccnc2n1)c1ccccn1 ZINC000610299793 397812749 /nfs/dbraw/zinc/81/27/49/397812749.db2.gz UNAUYFKZBJMONR-GFCCVEGCSA-N 0 0 311.301 0.768 10 0 DCAERN CCOCCS(=O)(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000184304466 286121103 /nfs/dbraw/zinc/12/11/03/286121103.db2.gz XGZWOJDIBLKGOK-GOSISDBHSA-N 0 0 311.469 0.976 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(=O)Nc2ccccc21 ZINC000408191845 304357145 /nfs/dbraw/zinc/35/71/45/304357145.db2.gz JYWFFFYAXYNNRW-SNVBAGLBSA-N 0 0 308.359 0.797 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408392592 296638276 /nfs/dbraw/zinc/63/82/76/296638276.db2.gz IBCOIJOXZHMBMG-UPJWGTAASA-N 0 0 302.440 0.752 10 0 DCAERN COc1ccc(CN2CCCN([C@H]3CCNC3=O)CC2=O)cc1 ZINC000274325024 286304875 /nfs/dbraw/zinc/30/48/75/286304875.db2.gz DCGYTYBRSMKEHI-HNNXBMFYSA-N 0 0 317.389 0.618 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000249031073 297971464 /nfs/dbraw/zinc/97/14/64/297971464.db2.gz RFDIQLSSMMLKQE-GRYCIOLGSA-N 0 0 304.412 0.294 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)NCCn1cc(C)cn1 ZINC000119777555 286603323 /nfs/dbraw/zinc/60/33/23/286603323.db2.gz NUTAYHWZIOGUFT-UHFFFAOYSA-N 0 0 302.400 0.268 10 0 DCAERN NC(=O)NCC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000046678786 158002175 /nfs/dbraw/zinc/00/21/75/158002175.db2.gz XLDCKQLHEZGBNI-UHFFFAOYSA-N 0 0 305.256 0.912 10 0 DCAERN Cn1nccc1CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046942074 158002905 /nfs/dbraw/zinc/00/29/05/158002905.db2.gz IXVNUOCVCZLLGZ-GFCCVEGCSA-N 0 0 315.381 0.678 10 0 DCAERN CC(=O)NCCNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000054039399 158019491 /nfs/dbraw/zinc/01/94/91/158019491.db2.gz XWTCEQQKRSYJEP-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCNC(=O)CC1 ZINC000054259103 158020597 /nfs/dbraw/zinc/02/05/97/158020597.db2.gz DQDUMOIWPYIMGX-LBPRGKRZSA-N 0 0 318.377 0.223 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000058056233 158025407 /nfs/dbraw/zinc/02/54/07/158025407.db2.gz GRRTUQNFWPUNGC-GFCCVEGCSA-N 0 0 312.414 0.195 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCCN1CCOCC1 ZINC000060906815 158028477 /nfs/dbraw/zinc/02/84/77/158028477.db2.gz XDSRLWMTKLTAER-UHFFFAOYSA-N 0 0 323.441 0.601 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000062975785 158029463 /nfs/dbraw/zinc/02/94/63/158029463.db2.gz BITVLXJQSMLMSL-ZDUSSCGKSA-N 0 0 311.407 0.364 10 0 DCAERN Nc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000062975782 158030091 /nfs/dbraw/zinc/03/00/91/158030091.db2.gz RTKXQQATPNQXRL-CYBMUJFWSA-N 0 0 311.407 0.364 10 0 DCAERN C[C@H](CC(=O)N1CCNC(=O)CC1)NC(=O)C1CCCCC1 ZINC000066634485 158035943 /nfs/dbraw/zinc/03/59/43/158035943.db2.gz PYQHTYVDTNWWNR-GFCCVEGCSA-N 0 0 309.410 0.810 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccco1 ZINC000068101022 158041747 /nfs/dbraw/zinc/04/17/47/158041747.db2.gz RUFZSIPOLWEIEO-MNOVXSKESA-N 0 0 307.350 0.512 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(CC(N)=O)C(C)C)c1ccccc1 ZINC000070690025 158048197 /nfs/dbraw/zinc/04/81/97/158048197.db2.gz QRBSJRMRSKKZON-CQSZACIVSA-N 0 0 305.378 0.976 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)C(N)=O ZINC000073027393 158054070 /nfs/dbraw/zinc/05/40/70/158054070.db2.gz ZBOZQGHMGFZENJ-LLVKDONJSA-N 0 0 324.425 0.731 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075980880 158063695 /nfs/dbraw/zinc/06/36/95/158063695.db2.gz KECJOFBWESRYOP-UONOGXRCSA-N 0 0 310.442 0.981 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077148563 158066120 /nfs/dbraw/zinc/06/61/20/158066120.db2.gz WFUHKAFHZXXLLH-FQUUOJAGSA-N 0 0 322.405 0.829 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000077474477 158068135 /nfs/dbraw/zinc/06/81/35/158068135.db2.gz XWQDPVZLUHJXSG-GXFFZTMASA-N 0 0 312.391 0.438 10 0 DCAERN Cc1cc(CN(C)S(=O)(=O)c2cccc(C(N)=O)c2)no1 ZINC000077608171 158069148 /nfs/dbraw/zinc/06/91/48/158069148.db2.gz HXXATJPMGRAEAX-UHFFFAOYSA-N 0 0 309.347 0.903 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@@H](O)COCC(C)C ZINC000081845698 158085122 /nfs/dbraw/zinc/08/51/22/158085122.db2.gz IEHKHRRSFNAZSC-CQSZACIVSA-N 0 0 322.405 0.875 10 0 DCAERN CCNS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088785089 158096250 /nfs/dbraw/zinc/09/62/50/158096250.db2.gz QDYBVYPOVQUSBZ-VIFPVBQESA-N 0 0 305.350 0.987 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)c1cc(C(N)=O)cn1C ZINC000089218967 158096307 /nfs/dbraw/zinc/09/63/07/158096307.db2.gz PWYOVDSLKLXJKK-UHFFFAOYSA-N 0 0 319.365 0.359 10 0 DCAERN Cc1ccc(CCCC(=O)N2CCN(C(=O)CO)CC2)cc1 ZINC000089548624 158098608 /nfs/dbraw/zinc/09/86/08/158098608.db2.gz FSDFIKNYGVPBFF-UHFFFAOYSA-N 0 0 304.390 0.981 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCSCCCO)cnc12 ZINC000091072605 158106223 /nfs/dbraw/zinc/10/62/23/158106223.db2.gz XBYHQLTURKCBFI-UHFFFAOYSA-N 0 0 321.402 0.848 10 0 DCAERN Cc1ccccc1Cc1nnc(CN2CCOC[C@@H]2C(N)=O)o1 ZINC000092229390 158111882 /nfs/dbraw/zinc/11/18/82/158111882.db2.gz NURPPROECDQBGN-CYBMUJFWSA-N 0 0 316.361 0.655 10 0 DCAERN COc1ccc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc2c1 ZINC000092230898 158111970 /nfs/dbraw/zinc/11/19/70/158111970.db2.gz HZZKXGLHOWBHIK-CYBMUJFWSA-N 0 0 318.329 0.488 10 0 DCAERN CCc1nn(C)cc1C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000092501214 158114577 /nfs/dbraw/zinc/11/45/77/158114577.db2.gz JVGUDSXFJIGOLV-GFCCVEGCSA-N 0 0 318.381 0.985 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000092910346 158116776 /nfs/dbraw/zinc/11/67/76/158116776.db2.gz BFOGZXCHHTVIGW-TZMCWYRMSA-N 0 0 307.375 0.840 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCC(F)F)CO2 ZINC000098005410 158125871 /nfs/dbraw/zinc/12/58/71/158125871.db2.gz JPALPRXYSLYUSW-MRVPVSSYSA-N 0 0 320.317 0.266 10 0 DCAERN CN1CC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)CC1=O ZINC000105810809 158131454 /nfs/dbraw/zinc/13/14/54/158131454.db2.gz KSEKUOLZWTWZIE-ZDUSSCGKSA-N 0 0 317.393 0.384 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000109018468 158136909 /nfs/dbraw/zinc/13/69/09/158136909.db2.gz VETHPURXLCZZMO-CMPLNLGQSA-N 0 0 303.428 0.850 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCn2cccn2)C[C@H](C)O1 ZINC000111357289 158141279 /nfs/dbraw/zinc/14/12/79/158141279.db2.gz FCRHJHKWXSPEEC-RYUDHWBXSA-N 0 0 302.400 0.169 10 0 DCAERN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000112676273 158143345 /nfs/dbraw/zinc/14/33/45/158143345.db2.gz LFYXJBRWKUXOQE-NEPJUHHUSA-N 0 0 309.410 0.523 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114437394 158153335 /nfs/dbraw/zinc/15/33/35/158153335.db2.gz TWCORUFIWIYZCJ-INIZCTEOSA-N 0 0 303.362 0.886 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114836503 158157670 /nfs/dbraw/zinc/15/76/70/158157670.db2.gz WYZRYJZCROXQAA-OLZOCXBDSA-N 0 0 310.398 0.306 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114836790 158157932 /nfs/dbraw/zinc/15/79/32/158157932.db2.gz RYHBLFBJEBXUPA-CHWSQXEVSA-N 0 0 324.425 0.696 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)cn1 ZINC000116229179 158164075 /nfs/dbraw/zinc/16/40/75/158164075.db2.gz UEOXNHQSFIYYRU-VXGBXAGGSA-N 0 0 305.382 0.527 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000116559377 158165234 /nfs/dbraw/zinc/16/52/34/158165234.db2.gz SZCMAFHADXVTAM-QWHCGFSZSA-N 0 0 324.425 0.601 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116831194 158167630 /nfs/dbraw/zinc/16/76/30/158167630.db2.gz YDOZRKSIDBRUSA-VIFPVBQESA-N 0 0 300.384 0.297 10 0 DCAERN CCOCCN1CCN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1C ZINC000117281195 158169731 /nfs/dbraw/zinc/16/97/31/158169731.db2.gz JFKMJHHVMSMIHS-ZDUSSCGKSA-N 0 0 313.442 0.718 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000117773818 158173135 /nfs/dbraw/zinc/17/31/35/158173135.db2.gz MUAZQPAOEXAANG-BXUZGUMPSA-N 0 0 324.402 0.703 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)n1 ZINC000117693020 158173488 /nfs/dbraw/zinc/17/34/88/158173488.db2.gz SBQRRKVVWVSYAG-AWEZNQCLSA-N 0 0 313.361 0.967 10 0 DCAERN COc1cccc(CS(=O)(=O)N(C)CC(=O)NC(C)C)c1 ZINC000117904261 158174334 /nfs/dbraw/zinc/17/43/34/158174334.db2.gz WAPAZNNBYAJZLK-UHFFFAOYSA-N 0 0 314.407 0.981 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCCCNc1ccccc1 ZINC000118785404 158179259 /nfs/dbraw/zinc/17/92/59/158179259.db2.gz XUWARJHOVKEIJT-UHFFFAOYSA-N 0 0 318.377 0.935 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000120127818 158193392 /nfs/dbraw/zinc/19/33/92/158193392.db2.gz DQMZKQAWUTZJJJ-CQSZACIVSA-N 0 0 317.389 0.909 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000120310032 158197124 /nfs/dbraw/zinc/19/71/24/158197124.db2.gz XETIESJLCFIMOK-VIFPVBQESA-N 0 0 302.342 0.271 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H]1c1nncn1C ZINC000120384505 158197535 /nfs/dbraw/zinc/19/75/35/158197535.db2.gz JHQLOIQRMYQUJA-JTQLQIEISA-N 0 0 304.358 0.289 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NC2CC2)cc1C ZINC000120643389 158202833 /nfs/dbraw/zinc/20/28/33/158202833.db2.gz ALJZAVHOZWGCLG-UHFFFAOYSA-N 0 0 317.389 0.770 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2F)C1 ZINC000120931905 158204902 /nfs/dbraw/zinc/20/49/02/158204902.db2.gz HVHSWJHDHJKBJI-NSHDSACASA-N 0 0 321.352 0.739 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)[nH]1 ZINC000121657753 158212657 /nfs/dbraw/zinc/21/26/57/158212657.db2.gz HUTMGRHELIFMBA-ZDUSSCGKSA-N 0 0 321.425 0.999 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)O1 ZINC000122058101 158217622 /nfs/dbraw/zinc/21/76/22/158217622.db2.gz YHISQTMFESVQRP-GWCFXTLKSA-N 0 0 312.391 0.560 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cn1 ZINC000122834759 158224433 /nfs/dbraw/zinc/22/44/33/158224433.db2.gz YKWHAXWCKPSDCS-UHFFFAOYSA-N 0 0 309.289 0.409 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)N(C(C)C)C(C)C)C[C@@H](C)O1 ZINC000123239825 158228391 /nfs/dbraw/zinc/22/83/91/158228391.db2.gz YNJFLAQHOYKNJM-CHWSQXEVSA-N 0 0 300.399 0.894 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N1CCCC[C@H]1CN1CCOCC1 ZINC000123947048 158235103 /nfs/dbraw/zinc/23/51/03/158235103.db2.gz GNBUMJFCYFGZCO-KGLIPLIRSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)no1 ZINC000124648866 158245200 /nfs/dbraw/zinc/24/52/00/158245200.db2.gz VNRBTGDUJNBLRK-SNVBAGLBSA-N 0 0 301.306 0.418 10 0 DCAERN CN(C)c1ncc(NC(=O)c2ccnc(-n3cncn3)c2)cn1 ZINC000125591308 158256362 /nfs/dbraw/zinc/25/63/62/158256362.db2.gz YQZOYHPNARGCRG-UHFFFAOYSA-N 0 0 310.321 0.771 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1Cc1nc(C2CCCC2)no1 ZINC000126301288 158263909 /nfs/dbraw/zinc/26/39/09/158263909.db2.gz JKTYBNOCXMALHN-CQSZACIVSA-N 0 0 306.322 0.938 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000127407735 158272575 /nfs/dbraw/zinc/27/25/75/158272575.db2.gz UXYVMQHUKVNAQP-UKRRQHHQSA-N 0 0 309.410 0.224 10 0 DCAERN Cc1cnn(CCNC(=O)NCCCOC[C@@H]2CCOC2)c1 ZINC000127286432 158273124 /nfs/dbraw/zinc/27/31/24/158273124.db2.gz ZYSDPZSNFMXSAV-AWEZNQCLSA-N 0 0 310.398 0.934 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000128763301 158282127 /nfs/dbraw/zinc/28/21/27/158282127.db2.gz YYMCFBKNNRHDBW-LSDHHAIUSA-N 0 0 324.402 0.593 10 0 DCAERN C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)[C@H](C)CO ZINC000131321103 158302312 /nfs/dbraw/zinc/30/23/12/158302312.db2.gz ZJIXGQHNBXCYIV-QZQSVVMZSA-N 0 0 320.455 0.618 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131939926 158306849 /nfs/dbraw/zinc/30/68/49/158306849.db2.gz WZDUZZBHGNTUHO-VIFPVBQESA-N 0 0 300.384 0.053 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCNC(=O)CC1 ZINC000131932342 158307103 /nfs/dbraw/zinc/30/71/03/158307103.db2.gz DBDOAJBLEWSRBS-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCc1c(C)nn(C)c1C ZINC000132628188 158313154 /nfs/dbraw/zinc/31/31/54/158313154.db2.gz CGXCNUYORHMIEH-ZDUSSCGKSA-N 0 0 310.423 0.617 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)CO)CC1 ZINC000133471442 158319178 /nfs/dbraw/zinc/31/91/78/158319178.db2.gz KIEVBMCKYFAWKD-QWRGUYRKSA-N 0 0 306.428 0.181 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CC2 ZINC000133799531 158321583 /nfs/dbraw/zinc/32/15/83/158321583.db2.gz SCAAKTWDVQJRNO-NWDGAFQWSA-N 0 0 319.409 0.701 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2cn3cccnc3n2)C1 ZINC000134337303 158325829 /nfs/dbraw/zinc/32/58/29/158325829.db2.gz ZLFQISFKQXFZMY-CYBMUJFWSA-N 0 0 323.422 0.631 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000134438207 158327011 /nfs/dbraw/zinc/32/70/11/158327011.db2.gz USOMLYYAONHYCA-OUCADQQQSA-N 0 0 307.398 0.866 10 0 DCAERN CCCc1cc(NC(=O)c2cc(S(N)(=O)=O)cn2C)n[nH]1 ZINC000134698029 158329751 /nfs/dbraw/zinc/32/97/51/158329751.db2.gz OPWZNYJSDLYQTG-UHFFFAOYSA-N 0 0 311.367 0.600 10 0 DCAERN CCCCS(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703573 158329835 /nfs/dbraw/zinc/32/98/35/158329835.db2.gz KFDLDAAQVFNPOJ-LBPRGKRZSA-N 0 0 324.468 0.616 10 0 DCAERN CCN(CC)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134702978 158330176 /nfs/dbraw/zinc/33/01/76/158330176.db2.gz RPUPDUAXQVEHQD-GFCCVEGCSA-N 0 0 303.428 0.948 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)NCc1cccnc1N(C)C ZINC000134703608 158330211 /nfs/dbraw/zinc/33/02/11/158330211.db2.gz UBGVQUQQXDCQDA-TZMCWYRMSA-N 0 0 322.409 0.829 10 0 DCAERN CCN(CC)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134702957 158330273 /nfs/dbraw/zinc/33/02/73/158330273.db2.gz RPUPDUAXQVEHQD-LBPRGKRZSA-N 0 0 303.428 0.948 10 0 DCAERN CC(C)CNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756592 158331300 /nfs/dbraw/zinc/33/13/00/158331300.db2.gz ZREOVCKGRMRGKT-LBPRGKRZSA-N 0 0 303.428 0.852 10 0 DCAERN C[C@@H](NC(=O)COC[C@H]1CCOC1)c1nnc2n1CCCC2 ZINC000135309024 158334970 /nfs/dbraw/zinc/33/49/70/158334970.db2.gz RZFYPXNXHJXNOO-NEPJUHHUSA-N 0 0 308.382 0.845 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1CC ZINC000135768284 158340375 /nfs/dbraw/zinc/34/03/75/158340375.db2.gz LVILQYKADNJSPJ-NXEZZACHSA-N 0 0 320.393 0.669 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000150792197 158347784 /nfs/dbraw/zinc/34/77/84/158347784.db2.gz IEYDIEHGTPUPHI-VXGBXAGGSA-N 0 0 308.382 0.576 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)ccc1C ZINC000166708501 158367320 /nfs/dbraw/zinc/36/73/20/158367320.db2.gz NCNFENKMTAQVPJ-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562909 158374905 /nfs/dbraw/zinc/37/49/05/158374905.db2.gz QPCSVBIKZWCQEC-VHSXEESVSA-N 0 0 306.318 0.265 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)c3cccn3C)CC2)n1 ZINC000170643868 158374935 /nfs/dbraw/zinc/37/49/35/158374935.db2.gz BIBSDCVQPCTDLB-UHFFFAOYSA-N 0 0 315.377 0.829 10 0 DCAERN COC[C@@H](C)N(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000170664986 158376046 /nfs/dbraw/zinc/37/60/46/158376046.db2.gz QPCAXXPWQJKLBQ-SECBINFHSA-N 0 0 312.395 0.932 10 0 DCAERN O=C([C@@H]1CCCOC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000171026935 158379666 /nfs/dbraw/zinc/37/96/66/158379666.db2.gz ZPUDYHWAZBCGQX-UONOGXRCSA-N 0 0 310.394 0.510 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171429271 158383105 /nfs/dbraw/zinc/38/31/05/158383105.db2.gz HNPKISUTNCEDNS-LLVKDONJSA-N 0 0 303.384 0.609 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@H]1CCCOC1 ZINC000171680284 158385525 /nfs/dbraw/zinc/38/55/25/158385525.db2.gz PHEHGKOZDJGQKU-LBPRGKRZSA-N 0 0 304.412 0.487 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000171767855 158386422 /nfs/dbraw/zinc/38/64/22/158386422.db2.gz MKUBYFBYVKYZOD-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN CCNC(=O)CNC(=O)NCCOc1ccc(F)cc1F ZINC000171701832 158386829 /nfs/dbraw/zinc/38/68/29/158386829.db2.gz LRGYIHAUUICCFH-UHFFFAOYSA-N 0 0 301.293 0.779 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172051665 158390432 /nfs/dbraw/zinc/39/04/32/158390432.db2.gz DJZWFMZEXDTQEF-WFASDCNBSA-N 0 0 318.377 0.196 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCn1cc(C)cn1)CC2 ZINC000172290229 158392803 /nfs/dbraw/zinc/39/28/03/158392803.db2.gz YBDWGKWIITUSKR-GFCCVEGCSA-N 0 0 317.397 0.660 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000172310828 158393328 /nfs/dbraw/zinc/39/33/28/158393328.db2.gz UIEYYASKNMDSFS-CQSZACIVSA-N 0 0 321.425 0.745 10 0 DCAERN CCOCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172605335 158396738 /nfs/dbraw/zinc/39/67/38/158396738.db2.gz QANASPIPQBQGPU-NSHDSACASA-N 0 0 316.427 0.672 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172757167 158399671 /nfs/dbraw/zinc/39/96/71/158399671.db2.gz OALBGSNRACZZIE-AWEZNQCLSA-N 0 0 306.410 0.513 10 0 DCAERN Cn1cc(/C=C/C(=O)N2CCC3(CCCC3)C2)c(=O)n(C)c1=O ZINC000173754548 158409809 /nfs/dbraw/zinc/40/98/09/158409809.db2.gz ZKPOBDHJZYWGIN-AATRIKPKSA-N 0 0 317.389 0.890 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000174410356 158418005 /nfs/dbraw/zinc/41/80/05/158418005.db2.gz STJUFPHQOOSICH-UHFFFAOYSA-N 0 0 303.362 0.449 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000178692325 158461306 /nfs/dbraw/zinc/46/13/06/158461306.db2.gz FQSJGQKIKWWZJS-SMDDNHRTSA-N 0 0 311.426 0.910 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000180433540 158478368 /nfs/dbraw/zinc/47/83/68/158478368.db2.gz SVJMTVOKXWIGIR-LBPRGKRZSA-N 0 0 316.361 0.503 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@H]2CCCOC2)cn1C ZINC000181187176 158483037 /nfs/dbraw/zinc/48/30/37/158483037.db2.gz DAWZXKYYBJINFL-JTQLQIEISA-N 0 0 315.395 0.184 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCN(c3cccs3)C(=O)C2)cn1 ZINC000184202518 158506173 /nfs/dbraw/zinc/50/61/73/158506173.db2.gz SWPCQWXVLMPMFM-UHFFFAOYSA-N 0 0 318.358 0.540 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](C)CC(C)C)CC1 ZINC000184768135 158511404 /nfs/dbraw/zinc/51/14/04/158511404.db2.gz OPZRHIXXTPGTHE-ZDUSSCGKSA-N 0 0 311.426 0.866 10 0 DCAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1c(C)noc1C ZINC000185731199 158523648 /nfs/dbraw/zinc/52/36/48/158523648.db2.gz SREZIACYADSZET-GFCCVEGCSA-N 0 0 324.381 0.899 10 0 DCAERN CNC(=O)CC(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000185948991 158525299 /nfs/dbraw/zinc/52/52/99/158525299.db2.gz VULRTYKBQVFEPK-UHFFFAOYSA-N 0 0 303.362 0.608 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000186221211 158529118 /nfs/dbraw/zinc/52/91/18/158529118.db2.gz HWWLAVAJXGCAKN-UHFFFAOYSA-N 0 0 313.357 0.649 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000187766377 158540510 /nfs/dbraw/zinc/54/05/10/158540510.db2.gz VONOMWLTOOCXRH-JTQLQIEISA-N 0 0 302.334 0.974 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1ccc(C)cc1 ZINC000188485947 158544922 /nfs/dbraw/zinc/54/49/22/158544922.db2.gz OSWOURILVHQAFR-GDBMZVCRSA-N 0 0 320.389 0.814 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CC(=O)NC)[C@@H]1Oc1ccccc1 ZINC000189148409 158550439 /nfs/dbraw/zinc/55/04/39/158550439.db2.gz HFFOZNRJUQASNR-IOASZLSFSA-N 0 0 306.362 0.864 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCC3CCOCC3)CC2)n[nH]1 ZINC000189956561 158556812 /nfs/dbraw/zinc/55/68/12/158556812.db2.gz SNTFHKZGSQNAFU-UHFFFAOYSA-N 0 0 307.398 0.976 10 0 DCAERN NCC(F)(F)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000190278911 158558798 /nfs/dbraw/zinc/55/87/98/158558798.db2.gz YLXSYVJTCZGLLB-JTQLQIEISA-N 0 0 321.393 0.788 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCN(C)C(=O)C1 ZINC000191092199 158565573 /nfs/dbraw/zinc/56/55/73/158565573.db2.gz WFYLNCJPVSHZTA-GFCCVEGCSA-N 0 0 307.398 0.955 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccn(CCC(C)C)n1 ZINC000193571818 158585649 /nfs/dbraw/zinc/58/56/49/158585649.db2.gz HBECJOKSVKNRJH-CHWSQXEVSA-N 0 0 308.382 0.849 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1csc(C(F)(F)F)n1 ZINC000193629379 158587975 /nfs/dbraw/zinc/58/79/75/158587975.db2.gz SAVFXDUBHSSAGW-QMMMGPOBSA-N 0 0 320.340 0.892 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000194594528 158598333 /nfs/dbraw/zinc/59/83/33/158598333.db2.gz MVABXCTXBOXKLJ-STQMWFEESA-N 0 0 316.423 0.582 10 0 DCAERN CCc1nnc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1C ZINC000195042307 158604260 /nfs/dbraw/zinc/60/42/60/158604260.db2.gz ADMIPVGFFDJMHE-UHFFFAOYSA-N 0 0 321.406 0.588 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H](C)OC ZINC000195239873 158607192 /nfs/dbraw/zinc/60/71/92/158607192.db2.gz SJNURALBPIHZRP-NEPJUHHUSA-N 0 0 306.428 0.684 10 0 DCAERN C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)cc1)[S@](C)=O ZINC000229858005 158621613 /nfs/dbraw/zinc/62/16/13/158621613.db2.gz UUKLTGWASGQIDK-HOGDKLEQSA-N 0 0 318.420 0.221 10 0 DCAERN O=C(CSC[C@@H](O)CO)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000247379079 158681122 /nfs/dbraw/zinc/68/11/22/158681122.db2.gz TZEKLJWVQBSBHO-ZFWWWQNUSA-N 0 0 324.446 0.716 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000248654786 158696215 /nfs/dbraw/zinc/69/62/15/158696215.db2.gz PWJUUPNEKYIIKD-DGCLKSJQSA-N 0 0 300.380 0.899 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CNC(=O)C2)[C@H]1Oc1ccccc1 ZINC000251657857 158713073 /nfs/dbraw/zinc/71/30/73/158713073.db2.gz KDWBQQPZHQRQSM-UZMCECQYSA-N 0 0 318.373 0.864 10 0 DCAERN CN(CCCCO)C(=O)Cn1cc(Br)ccc1=O ZINC000276467749 158936568 /nfs/dbraw/zinc/93/65/68/158936568.db2.gz OTLHEZLRKDVTDK-UHFFFAOYSA-N 0 0 317.183 0.842 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000285739697 158966752 /nfs/dbraw/zinc/96/67/52/158966752.db2.gz YUJAYPJZBHSNJX-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CCc1cc(=O)n2nc(N3C[C@@H](C)O[C@H](COC)C3)sc2n1 ZINC000302559531 158981674 /nfs/dbraw/zinc/98/16/74/158981674.db2.gz MNEVXDGZSIMTQZ-KOLCDFICSA-N 0 0 324.406 0.954 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000319656566 159008758 /nfs/dbraw/zinc/00/87/58/159008758.db2.gz PBCRSUFDXGBJLW-MELADBBJSA-N 0 0 310.394 0.243 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1=O ZINC000320949084 159010900 /nfs/dbraw/zinc/01/09/00/159010900.db2.gz FRENDEABSIPXPZ-WCQYABFASA-N 0 0 317.345 0.091 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC(=O)N1C ZINC000328713138 159023273 /nfs/dbraw/zinc/02/32/73/159023273.db2.gz NPNWZNMSYMFZON-VIFPVBQESA-N 0 0 303.318 0.970 10 0 DCAERN CCn1c([C@H]2COCCO2)nnc1N1CCN(C2CC2)CC1 ZINC000328722018 159024041 /nfs/dbraw/zinc/02/40/41/159024041.db2.gz XGPCRNPXQJZCFL-CYBMUJFWSA-N 0 0 307.398 0.670 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@@]2(CCOC2)C1)N1CCCCC1=O ZINC000328732940 159024772 /nfs/dbraw/zinc/02/47/72/159024772.db2.gz HLBRQEUIKFFVRI-BBRMVZONSA-N 0 0 310.394 0.795 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@@]2(CCOC2)C1)N1CCCCC1=O ZINC000328732941 159024894 /nfs/dbraw/zinc/02/48/94/159024894.db2.gz HLBRQEUIKFFVRI-CJNGLKHVSA-N 0 0 310.394 0.795 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@@]12CCOC2)N1CCCCC1=O ZINC000328736792 159025712 /nfs/dbraw/zinc/02/57/12/159025712.db2.gz JWWJYQRPIRGZKU-CJNGLKHVSA-N 0 0 310.394 0.795 10 0 DCAERN Cc1csc([C@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 ZINC000328761023 159027360 /nfs/dbraw/zinc/02/73/60/159027360.db2.gz XRONHHGVCKQHKX-LLVKDONJSA-N 0 0 320.374 0.608 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328766763 159027917 /nfs/dbraw/zinc/02/79/17/159027917.db2.gz FKIIOZXWCAJVRA-IUODEOHRSA-N 0 0 318.377 0.331 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@H]3COCCO3)no2)c1 ZINC000328776219 159029118 /nfs/dbraw/zinc/02/91/18/159029118.db2.gz KZGBTHHCGWPPAW-LBPRGKRZSA-N 0 0 306.322 0.373 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@@H]21 ZINC000328877311 159036688 /nfs/dbraw/zinc/03/66/88/159036688.db2.gz KNFKPVOQQSWUKV-KBPBESRZSA-N 0 0 318.439 0.148 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC000328875895 159037312 /nfs/dbraw/zinc/03/73/12/159037312.db2.gz JYDWMVZKDHHWGB-STQMWFEESA-N 0 0 307.398 0.578 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328900064 159038821 /nfs/dbraw/zinc/03/88/21/159038821.db2.gz XYBJCTHSNVIPIW-KGLIPLIRSA-N 0 0 322.409 0.347 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000328898487 159039332 /nfs/dbraw/zinc/03/93/32/159039332.db2.gz WQSTWUJFOKVGPG-LBPRGKRZSA-N 0 0 323.418 0.854 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H]1Cn1ccnn1)N1CCSCC1 ZINC000328918627 159041821 /nfs/dbraw/zinc/04/18/21/159041821.db2.gz AJEFEWOZGCIWBO-STQMWFEESA-N 0 0 309.439 0.706 10 0 DCAERN CN1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926896 159042593 /nfs/dbraw/zinc/04/25/93/159042593.db2.gz WSFRUBCHISBPFZ-VHSXEESVSA-N 0 0 320.319 0.140 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328930180 159042899 /nfs/dbraw/zinc/04/28/99/159042899.db2.gz YYTCCOFLVFUMFP-GHMZBOCLSA-N 0 0 307.354 0.851 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000328939520 159045290 /nfs/dbraw/zinc/04/52/90/159045290.db2.gz DQXSYBWPBCQLOJ-AWEZNQCLSA-N 0 0 306.410 0.532 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CC[C@@H](CCO)C2)CC(=O)N1C ZINC000328953846 159045675 /nfs/dbraw/zinc/04/56/75/159045675.db2.gz MPBIROQZVYEESU-SLEUVZQESA-N 0 0 320.393 0.170 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000328990884 159050181 /nfs/dbraw/zinc/05/01/81/159050181.db2.gz VHSUCOIBCKADER-YIYPIFLZSA-N 0 0 320.393 0.039 10 0 DCAERN Cc1c(C(=O)N2CCO[C@@H](C3CC3)C2)nnn1-c1ccn(C)n1 ZINC000329132722 159065236 /nfs/dbraw/zinc/06/52/36/159065236.db2.gz PISBEVLXGUUHOA-GFCCVEGCSA-N 0 0 316.365 0.560 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@@H](C3CCC3)C2)O1 ZINC000329238699 159075628 /nfs/dbraw/zinc/07/56/28/159075628.db2.gz PUZKEGVNVPDSJP-ZNMIVQPWSA-N 0 0 324.421 0.897 10 0 DCAERN O=C([C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1)N1CCCC1 ZINC000329255607 159076466 /nfs/dbraw/zinc/07/64/66/159076466.db2.gz DKGWVJZAHGAPLL-QWHCGFSZSA-N 0 0 316.423 0.440 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@@H]1CCCO[C@H]1C)C2 ZINC000329286954 159079340 /nfs/dbraw/zinc/07/93/40/159079340.db2.gz HCIOUVIQDUCCEV-NWDGAFQWSA-N 0 0 305.378 0.963 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)C1 ZINC000329321081 159082283 /nfs/dbraw/zinc/08/22/83/159082283.db2.gz GNGWTTMNVAOXGA-OIISXLGYSA-N 0 0 324.421 0.776 10 0 DCAERN CC(C)[C@H]1N(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@@]12CCCO2 ZINC000329335343 159082842 /nfs/dbraw/zinc/08/28/42/159082842.db2.gz OLWHZDKWJFIADS-YGRLFVJLSA-N 0 0 308.338 0.500 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000329376744 159087204 /nfs/dbraw/zinc/08/72/04/159087204.db2.gz LNMYETSRDITKMT-RYUDHWBXSA-N 0 0 316.423 0.628 10 0 DCAERN CN(C(=O)c1cccc(CN2CCCC2=O)c1)[C@@H]1COC[C@H]1O ZINC000329398806 159089030 /nfs/dbraw/zinc/08/90/30/159089030.db2.gz VHTCUYPHXIEJGH-HUUCEWRRSA-N 0 0 318.373 0.641 10 0 DCAERN O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000329404006 159089630 /nfs/dbraw/zinc/08/96/30/159089630.db2.gz YWFYUIFIJUFFAV-CQSZACIVSA-N 0 0 317.393 0.843 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329434071 159092709 /nfs/dbraw/zinc/09/27/09/159092709.db2.gz LGZSTEDOLPUUPJ-SRVKXCTJSA-N 0 0 305.396 0.216 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)O1 ZINC000329535032 159101189 /nfs/dbraw/zinc/10/11/89/159101189.db2.gz ZAIQSHNLGKLWQQ-IEECTRCBSA-N 0 0 323.393 0.785 10 0 DCAERN COCC1(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CCOCC1 ZINC000329744515 159116607 /nfs/dbraw/zinc/11/66/07/159116607.db2.gz XUBLJMQMIZRAJI-UONOGXRCSA-N 0 0 312.410 0.361 10 0 DCAERN O=C([C@H]1CCN1Cc1ccccc1)N1CCCS(=O)(=O)CC1 ZINC000329876276 159124839 /nfs/dbraw/zinc/12/48/39/159124839.db2.gz HSSHTNIQKDTUSO-OAHLLOKOSA-N 0 0 322.430 0.908 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CCO2)o1 ZINC000329881602 159125637 /nfs/dbraw/zinc/12/56/37/159125637.db2.gz OTJHRNPZAATKTQ-DJIHRAIXSA-N 0 0 307.350 0.957 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)C3(O)CCOCC3)C2)n1 ZINC000330059114 159138608 /nfs/dbraw/zinc/13/86/08/159138608.db2.gz KLIFYAWZFIVEET-LLVKDONJSA-N 0 0 324.381 0.383 10 0 DCAERN C[C@H]1N(S(=O)(=O)c2cnnn2C)CCC12CCOCC2 ZINC000330079749 159140354 /nfs/dbraw/zinc/14/03/54/159140354.db2.gz ONXDZTQOBMIKHC-SNVBAGLBSA-N 0 0 300.384 0.395 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)Cn1cccnc1=O ZINC000330168741 159147384 /nfs/dbraw/zinc/14/73/84/159147384.db2.gz BBILOXZGGIRQBM-CYBMUJFWSA-N 0 0 301.350 0.439 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000330207334 159150640 /nfs/dbraw/zinc/15/06/40/159150640.db2.gz FYYRFBPQTLJFEK-QWRGUYRKSA-N 0 0 302.400 0.798 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC000330228193 159152158 /nfs/dbraw/zinc/15/21/58/159152158.db2.gz VHFPAPSALLZYAR-NEPJUHHUSA-N 0 0 308.338 0.145 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000330516130 159183991 /nfs/dbraw/zinc/18/39/91/159183991.db2.gz MQCUAPRJOLTKOL-QWRGUYRKSA-N 0 0 303.355 0.904 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1C[C@H](OC)CN1C ZINC000330553803 159192510 /nfs/dbraw/zinc/19/25/10/159192510.db2.gz FZZHXUBDLZLYKU-NHYWBVRUSA-N 0 0 308.426 0.880 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000330624359 159205111 /nfs/dbraw/zinc/20/51/11/159205111.db2.gz GBZDHNWESPUTMJ-JHJVBQTASA-N 0 0 300.399 0.272 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@@H](C)OC[C@H]2C)n1 ZINC000359253397 159257447 /nfs/dbraw/zinc/25/74/47/159257447.db2.gz YPCYJLVDSDYLME-VXGBXAGGSA-N 0 0 321.377 0.385 10 0 DCAERN C[C@H]1CN(CCN(C)C(=O)NCCc2cn[nH]c2)C[C@H](C)O1 ZINC000360295521 159265977 /nfs/dbraw/zinc/26/59/77/159265977.db2.gz GABWMGVOYIHNGE-STQMWFEESA-N 0 0 309.414 0.703 10 0 DCAERN CC(C)CN(C(=O)CN1CC[C@@H]2OCC(=O)N[C@@H]2C1)C1CC1 ZINC000366813758 159289524 /nfs/dbraw/zinc/28/95/24/159289524.db2.gz VNKJGLCFBJGYHK-KGLIPLIRSA-N 0 0 309.410 0.223 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1=O ZINC000366833129 159292033 /nfs/dbraw/zinc/29/20/33/159292033.db2.gz UTULLCYHQCFDNW-POQQGIQPSA-N 0 0 309.410 0.798 10 0 DCAERN COCCN1CN(C(=O)[C@@H]2CCN2Cc2ccccc2)CC1=O ZINC000367026846 159306100 /nfs/dbraw/zinc/30/61/00/159306100.db2.gz OMLSLHLFAFGVTI-HNNXBMFYSA-N 0 0 317.389 0.536 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000367040750 159307599 /nfs/dbraw/zinc/30/75/99/159307599.db2.gz MYULZCWJBIGXES-ZDEQEGDKSA-N 0 0 306.428 0.291 10 0 DCAERN COCC1(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000367075812 159311559 /nfs/dbraw/zinc/31/15/59/159311559.db2.gz XUZJLMGARTZVJX-ZDUSSCGKSA-N 0 0 310.394 0.699 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000367158936 159318564 /nfs/dbraw/zinc/31/85/64/159318564.db2.gz KKDJAWQXPLJDQA-OHUAYANFSA-N 0 0 323.393 0.590 10 0 DCAERN CCCc1occc1C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000367179080 159319295 /nfs/dbraw/zinc/31/92/95/159319295.db2.gz DJYYWKIFEAPYDL-SNVBAGLBSA-N 0 0 300.380 0.996 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000367633782 159348523 /nfs/dbraw/zinc/34/85/23/159348523.db2.gz NJTZNYMQZVYKDJ-GFCCVEGCSA-N 0 0 321.377 0.871 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000367681633 159350767 /nfs/dbraw/zinc/35/07/67/159350767.db2.gz FXVCSBQSRIIZRF-WDEREUQCSA-N 0 0 307.437 0.544 10 0 DCAERN CCc1nc(NC(=O)CN2CCN3CCOC[C@@H]3C2)sc1C ZINC000368222834 159382571 /nfs/dbraw/zinc/38/25/71/159382571.db2.gz MWLMOCJDBOVRJU-LBPRGKRZSA-N 0 0 324.450 0.969 10 0 DCAERN C[C@@](O)(CC(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000369387371 159454649 /nfs/dbraw/zinc/45/46/49/159454649.db2.gz BWBIWCCSEMMVCP-DOTOQJQBSA-N 0 0 304.390 0.827 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1C ZINC000372419542 159622718 /nfs/dbraw/zinc/62/27/18/159622718.db2.gz CVKRAHFXHBSAEH-QWRGUYRKSA-N 0 0 305.375 0.613 10 0 DCAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC(n2ccnn2)C1 ZINC000372582924 159632240 /nfs/dbraw/zinc/63/22/40/159632240.db2.gz KBSFTZFCZUAGJZ-UHFFFAOYSA-N 0 0 309.370 0.965 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000372673150 159637103 /nfs/dbraw/zinc/63/71/03/159637103.db2.gz LYBITIWCKMDFBJ-JHJVBQTASA-N 0 0 314.407 0.314 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)cn1 ZINC000373252963 159670669 /nfs/dbraw/zinc/67/06/69/159670669.db2.gz CNAKZVRCWOCNAU-MRXNPFEDSA-N 0 0 318.377 0.460 10 0 DCAERN CN1C(=O)[C@@H]2CN(C(=O)c3ccoc3C3CC3)CCN2C1=O ZINC000374184518 159722446 /nfs/dbraw/zinc/72/24/46/159722446.db2.gz AASOZTFMAUIQKQ-NSHDSACASA-N 0 0 303.318 0.875 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000375867369 159824175 /nfs/dbraw/zinc/82/41/75/159824175.db2.gz FVZXVXBURWLFDZ-BCUIYNNISA-N 0 0 311.378 0.982 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000407971758 160000235 /nfs/dbraw/zinc/00/02/35/160000235.db2.gz CSLDOVIITFQTRK-WCQYABFASA-N 0 0 309.410 0.761 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)c2c(C)nn(C)c2C)n1 ZINC000407980228 160001473 /nfs/dbraw/zinc/00/14/73/160001473.db2.gz KDLLXPUOOYCOKG-NSHDSACASA-N 0 0 305.338 0.942 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[nH]1 ZINC000407981352 160001767 /nfs/dbraw/zinc/00/17/67/160001767.db2.gz SYKZUOLBBRJPDO-AXFHLTTASA-N 0 0 307.354 0.200 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)c2cncnc2C)CC1 ZINC000407983079 160002536 /nfs/dbraw/zinc/00/25/36/160002536.db2.gz NAENDUXBSXEKRP-UHFFFAOYSA-N 0 0 312.395 0.329 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000407982366 160002630 /nfs/dbraw/zinc/00/26/30/160002630.db2.gz YCZCNRXZRLWBKS-YPMHNXCESA-N 0 0 308.378 0.451 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(=O)[C@H](C)C2)CC1 ZINC000407986313 160003951 /nfs/dbraw/zinc/00/39/51/160003951.db2.gz SPJRPBLVEDEDDL-VXGBXAGGSA-N 0 0 310.394 0.697 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000407989575 160004300 /nfs/dbraw/zinc/00/43/00/160004300.db2.gz KLARIYZBRRGBAE-STQMWFEESA-N 0 0 313.423 0.283 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@@H]2C1 ZINC000407989598 160004637 /nfs/dbraw/zinc/00/46/37/160004637.db2.gz IAKRZMMDOASYQB-IJLUTSLNSA-N 0 0 315.395 0.377 10 0 DCAERN C[C@@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000407999956 160006956 /nfs/dbraw/zinc/00/69/56/160006956.db2.gz YFPZZBCJDCZVJV-ZYHUDNBSSA-N 0 0 304.412 0.199 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000407997755 160007128 /nfs/dbraw/zinc/00/71/28/160007128.db2.gz JIHPFYUOBXVNFD-WOPDTQHZSA-N 0 0 319.427 0.277 10 0 DCAERN CC1CCC(N2C[C@@H](C(=O)N3CCO[C@H](CO)C3)CC2=O)CC1 ZINC000408004889 160009089 /nfs/dbraw/zinc/00/90/89/160009089.db2.gz ZWFJQJNDURPVHD-SHWKFHJASA-N 0 0 324.421 0.633 10 0 DCAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@@H](CCO)C1 ZINC000408007656 160009345 /nfs/dbraw/zinc/00/93/45/160009345.db2.gz BIERNZZGTHPPEV-AEJSXWLSSA-N 0 0 308.300 0.674 10 0 DCAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@@H](CCO)C1 ZINC000408007672 160009871 /nfs/dbraw/zinc/00/98/71/160009871.db2.gz BIERNZZGTHPPEV-GUBZILKMSA-N 0 0 308.300 0.674 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010366 160010758 /nfs/dbraw/zinc/01/07/58/160010758.db2.gz UXRPKMAAGKJNQA-NEPJUHHUSA-N 0 0 305.444 0.150 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408014609 160011142 /nfs/dbraw/zinc/01/11/42/160011142.db2.gz QRIPPCNAVXKAJM-SNVBAGLBSA-N 0 0 319.427 0.072 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408017155 160011773 /nfs/dbraw/zinc/01/17/73/160011773.db2.gz LFXMKLJYWQLOCH-ZYHUDNBSSA-N 0 0 304.412 0.318 10 0 DCAERN CCCCS(=O)(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408025750 160014496 /nfs/dbraw/zinc/01/44/96/160014496.db2.gz DKKWHDYNKINVKI-NEPJUHHUSA-N 0 0 322.402 0.388 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000408028545 160015483 /nfs/dbraw/zinc/01/54/83/160015483.db2.gz PROLNIITHGVQTD-PWSUYJOCSA-N 0 0 320.411 0.273 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408032260 160016328 /nfs/dbraw/zinc/01/63/28/160016328.db2.gz UIRSHBOZDJZYBR-YFKTTZPYSA-N 0 0 323.386 0.453 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000408031349 160017126 /nfs/dbraw/zinc/01/71/26/160017126.db2.gz SWHMPUVCCCESFX-MCIONIFRSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408034861 160017683 /nfs/dbraw/zinc/01/76/83/160017683.db2.gz HHBCGNQOKAWGLS-RWMBFGLXSA-N 0 0 320.393 0.290 10 0 DCAERN Cn1ncc(N2C[C@@H](F)C[C@H]2CO)c(Br)c1=O ZINC000408035343 160018371 /nfs/dbraw/zinc/01/83/71/160018371.db2.gz XGFBTAUXWOXFDY-BQBZGAKWSA-N 0 0 306.135 0.452 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3ccccc3C2)C1 ZINC000408043819 160020217 /nfs/dbraw/zinc/02/02/17/160020217.db2.gz QXSVHBCWXBZBDV-KRWDZBQOSA-N 0 0 302.374 0.945 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@]2(O)CCSC2)CC1(C)C ZINC000408045297 160021417 /nfs/dbraw/zinc/02/14/17/160021417.db2.gz YWTIKPZCAHJYNO-CQSZACIVSA-N 0 0 300.424 0.712 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000408046171 160021479 /nfs/dbraw/zinc/02/14/79/160021479.db2.gz AZQTYTNIQZNOGX-INIZCTEOSA-N 0 0 320.393 0.209 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000408050089 160023852 /nfs/dbraw/zinc/02/38/52/160023852.db2.gz AKJJHFQDDZWMKL-KBPBESRZSA-N 0 0 300.424 0.762 10 0 DCAERN O=C(c1cscn1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408054096 160024265 /nfs/dbraw/zinc/02/42/65/160024265.db2.gz QSLAZHRLBNSVGC-KOLCDFICSA-N 0 0 313.354 0.555 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@](C)(O)C2)c2ccccc2c1=O ZINC000408052776 160024290 /nfs/dbraw/zinc/02/42/90/160024290.db2.gz DDJSHVDUCVKOHP-KRWDZBQOSA-N 0 0 315.373 0.849 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000408052685 160024357 /nfs/dbraw/zinc/02/43/57/160024357.db2.gz CQYCAXPNGGQIDD-SQWLQELKSA-N 0 0 312.410 0.680 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@]2(C)CCCC[C@@H]2O)C1 ZINC000408055574 160025083 /nfs/dbraw/zinc/02/50/83/160025083.db2.gz YSEGCKIATXQHBT-CWRNSKLLSA-N 0 0 312.410 0.417 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)C1 ZINC000408055337 160025165 /nfs/dbraw/zinc/02/51/65/160025165.db2.gz TXCYNVBSMOZISW-SQWLQELKSA-N 0 0 312.410 0.369 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CO1 ZINC000408055164 160025273 /nfs/dbraw/zinc/02/52/73/160025273.db2.gz WKKLHEFWALIPMN-RVMXOQNASA-N 0 0 314.357 0.209 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000408059308 160025903 /nfs/dbraw/zinc/02/59/03/160025903.db2.gz BZNXEFMSNMDUAV-JHJVBQTASA-N 0 0 324.377 0.035 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc(CO)c(F)c3)CC[C@@H]21 ZINC000408066249 160027405 /nfs/dbraw/zinc/02/74/05/160027405.db2.gz WMWFCPKGEPELEB-OLZOCXBDSA-N 0 0 307.325 0.556 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1 ZINC000408067182 160027559 /nfs/dbraw/zinc/02/75/59/160027559.db2.gz BANCVLNPDTXJCO-JTQLQIEISA-N 0 0 311.367 0.598 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@@H](C)O1 ZINC000408078010 160030945 /nfs/dbraw/zinc/03/09/45/160030945.db2.gz FVGYPEVELQVNTL-VXGBXAGGSA-N 0 0 311.426 0.598 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCS(=O)CC1 ZINC000408082971 160031606 /nfs/dbraw/zinc/03/16/06/160031606.db2.gz ZJGRWPHGFCQXIG-UHFFFAOYSA-N 0 0 324.406 0.514 10 0 DCAERN C[C@H]1SCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H]1C ZINC000408080704 160031913 /nfs/dbraw/zinc/03/19/13/160031913.db2.gz PINFEBKMNSGNPT-RKDXNWHRSA-N 0 0 315.420 0.695 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)C[C@H]1O ZINC000408087453 160032373 /nfs/dbraw/zinc/03/23/73/160032373.db2.gz DWKKHFKXOWBJCY-IINYFYTJSA-N 0 0 309.391 0.965 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C)[C@@H](O)C2)C1 ZINC000408090135 160033215 /nfs/dbraw/zinc/03/32/15/160033215.db2.gz BMHCQYAMMARDDW-AVGNSLFASA-N 0 0 318.439 0.277 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H]1O ZINC000408093693 160034348 /nfs/dbraw/zinc/03/43/48/160034348.db2.gz WISKTFDTUHLEEC-GXFFZTMASA-N 0 0 323.378 0.054 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408097104 160034884 /nfs/dbraw/zinc/03/48/84/160034884.db2.gz ILMPXEYDQAFYFI-QJPTWQEYSA-N 0 0 316.423 0.184 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NC2(CCO)CCCC2)CC1 ZINC000408099818 160035674 /nfs/dbraw/zinc/03/56/74/160035674.db2.gz QAVKEJISXAJCQW-UHFFFAOYSA-N 0 0 318.439 0.469 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000408104992 160036679 /nfs/dbraw/zinc/03/66/79/160036679.db2.gz GDEXHLFKDDFSKU-WCBMZHEXSA-N 0 0 301.368 0.399 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000408105907 160037283 /nfs/dbraw/zinc/03/72/83/160037283.db2.gz WHFZETQFGUJMNI-ZIAGYGMSSA-N 0 0 308.382 0.041 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000408111625 160038219 /nfs/dbraw/zinc/03/82/19/160038219.db2.gz DLFGCIJBOKAOGS-NWDGAFQWSA-N 0 0 311.363 0.123 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C)C[C@H]1C ZINC000408113347 160038642 /nfs/dbraw/zinc/03/86/42/160038642.db2.gz RPNJUFJAPVJXGD-CHWSQXEVSA-N 0 0 317.455 0.353 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)CCS1 ZINC000408115725 160039384 /nfs/dbraw/zinc/03/93/84/160039384.db2.gz QHZLIBQWMMENIZ-MRVPVSSYSA-N 0 0 301.393 0.307 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000408121087 160040969 /nfs/dbraw/zinc/04/09/69/160040969.db2.gz KVAZWHGRYIYIMX-HNNXBMFYSA-N 0 0 323.324 0.772 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408122512 160041825 /nfs/dbraw/zinc/04/18/25/160041825.db2.gz XYCXMYWMUMQSFT-MPEURRAXSA-N 0 0 317.455 0.843 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C)C2)CC1 ZINC000408131978 160044322 /nfs/dbraw/zinc/04/43/22/160044322.db2.gz HUIROQAESVNTQO-GFCCVEGCSA-N 0 0 303.428 0.373 10 0 DCAERN CC(C)(C)[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1O ZINC000408134891 160045287 /nfs/dbraw/zinc/04/52/87/160045287.db2.gz VHHKGOIRXMBZAJ-VXGBXAGGSA-N 0 0 306.428 0.292 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2CO)o1 ZINC000408137566 160045367 /nfs/dbraw/zinc/04/53/67/160045367.db2.gz JQAZUDGQQIHVKE-VHSXEESVSA-N 0 0 316.379 0.421 10 0 DCAERN C[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)[C@H]1CO ZINC000408139083 160045985 /nfs/dbraw/zinc/04/59/85/160045985.db2.gz NXYROSAJBJLRNZ-AAEUAGOBSA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408138498 160046259 /nfs/dbraw/zinc/04/62/59/160046259.db2.gz CJVJZZLYMNYTNV-BDAKNGLRSA-N 0 0 307.316 0.593 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000408144062 160047042 /nfs/dbraw/zinc/04/70/42/160047042.db2.gz GBVIZWVTPWVGBL-UHFFFAOYSA-N 0 0 303.428 0.517 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000408142779 160047096 /nfs/dbraw/zinc/04/70/96/160047096.db2.gz YIMDGSYXAWDOPO-SNVBAGLBSA-N 0 0 308.367 0.661 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)C3(C(=O)N(C)C)CC3)C2)n1 ZINC000408146061 160047771 /nfs/dbraw/zinc/04/77/71/160047771.db2.gz MTPMWEOSJRLHKZ-NSHDSACASA-N 0 0 306.366 0.952 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)o1 ZINC000408145673 160047789 /nfs/dbraw/zinc/04/77/89/160047789.db2.gz KHYIICYCOSGUJU-VIFPVBQESA-N 0 0 308.381 0.030 10 0 DCAERN CC(C)(C(=O)N1CCO[C@@H](c2nccs2)C1)S(C)(=O)=O ZINC000408151589 160048514 /nfs/dbraw/zinc/04/85/14/160048514.db2.gz WMTWGZVSRIPNFO-SECBINFHSA-N 0 0 318.420 0.866 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CCO1 ZINC000408160940 160050447 /nfs/dbraw/zinc/05/04/47/160050447.db2.gz YCQMTRMPWQFULV-IJLUTSLNSA-N 0 0 304.412 0.471 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000408166269 160051201 /nfs/dbraw/zinc/05/12/01/160051201.db2.gz XNGLZPXARBXDEI-JSGCOSHPSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC(=O)N1 ZINC000408164545 160051331 /nfs/dbraw/zinc/05/13/31/160051331.db2.gz ILZXIXGKTJXPLM-STQMWFEESA-N 0 0 317.389 0.956 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1)N1CCOCC1 ZINC000408169299 160052128 /nfs/dbraw/zinc/05/21/28/160052128.db2.gz MTAGIEYESOYMGO-RDBSUJKOSA-N 0 0 311.426 0.470 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@H](O)C3)CCC(=O)N2C)cn1 ZINC000408174234 160052607 /nfs/dbraw/zinc/05/26/07/160052607.db2.gz QKFAQUTZQDLDJC-KCQAQPDRSA-N 0 0 320.393 0.313 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@H](O)CC3)cnc12 ZINC000408178659 160053571 /nfs/dbraw/zinc/05/35/71/160053571.db2.gz SHWGFJJWYSGMNY-LBPRGKRZSA-N 0 0 301.346 0.990 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@H](O)CC1 ZINC000408178255 160053758 /nfs/dbraw/zinc/05/37/58/160053758.db2.gz PNCLGMDQLARNKJ-JTQLQIEISA-N 0 0 304.350 0.964 10 0 DCAERN COc1cc(C)nc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)n1 ZINC000408181161 160054171 /nfs/dbraw/zinc/05/41/71/160054171.db2.gz AAFSFPRELISKMC-CYBMUJFWSA-N 0 0 319.409 0.536 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000408187507 160055048 /nfs/dbraw/zinc/05/50/48/160055048.db2.gz ODGIWNIZVADLET-INTQDDNPSA-N 0 0 315.416 0.995 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000408187992 160056184 /nfs/dbraw/zinc/05/61/84/160056184.db2.gz BQTKPQONKYXEST-GHMZBOCLSA-N 0 0 302.396 0.856 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nc(C)n1 ZINC000408198955 160058595 /nfs/dbraw/zinc/05/85/95/160058595.db2.gz PNDQQQIPBVFQCP-ABAIWWIYSA-N 0 0 304.394 0.886 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408202662 160058974 /nfs/dbraw/zinc/05/89/74/160058974.db2.gz JILTYYDXPHUJCU-JTQLQIEISA-N 0 0 318.420 0.254 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)CC2 ZINC000408203323 160059475 /nfs/dbraw/zinc/05/94/75/160059475.db2.gz CTCKJJXGJBAHMS-NWDGAFQWSA-N 0 0 323.393 0.592 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408206771 160060191 /nfs/dbraw/zinc/06/01/91/160060191.db2.gz UQKJOJXXKXHGIB-BFHYXJOUSA-N 0 0 309.410 0.224 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)C3CCOCC3)CC2)n1 ZINC000408209229 160060899 /nfs/dbraw/zinc/06/08/99/160060899.db2.gz RNYJECVEMBSXAM-UHFFFAOYSA-N 0 0 319.409 0.618 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2[C@@H](C)COC[C@@H]2C)C1=O ZINC000408217250 160062314 /nfs/dbraw/zinc/06/23/14/160062314.db2.gz KQBZXXBGZNCLGF-QWRGUYRKSA-N 0 0 311.382 0.733 10 0 DCAERN C[C@H]1SCCN(S(=O)(=O)CCCS(C)(=O)=O)[C@H]1C ZINC000408217178 160062421 /nfs/dbraw/zinc/06/24/21/160062421.db2.gz DWPXDNKGRUFMBI-VHSXEESVSA-N 0 0 315.482 0.577 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCOCC(F)(F)F ZINC000408237059 160066360 /nfs/dbraw/zinc/06/63/60/160066360.db2.gz OYTLZQZZAZUGOT-BDAKNGLRSA-N 0 0 320.333 0.509 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)n1 ZINC000408246969 160068286 /nfs/dbraw/zinc/06/82/86/160068286.db2.gz QRCKCVOECHIYTB-UONOGXRCSA-N 0 0 308.382 0.691 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408246293 160068377 /nfs/dbraw/zinc/06/83/77/160068377.db2.gz IPSHSFLUSVKYAE-INIZCTEOSA-N 0 0 316.361 0.920 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)o1 ZINC000408249483 160069444 /nfs/dbraw/zinc/06/94/44/160069444.db2.gz XEGJIZIZBNGWAZ-ZJUUUORDSA-N 0 0 314.363 0.568 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408258598 160070685 /nfs/dbraw/zinc/07/06/85/160070685.db2.gz YSJOOMSAUADMJE-FQUUOJAGSA-N 0 0 308.378 0.655 10 0 DCAERN CO[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC[C@H]1C ZINC000408255440 160070913 /nfs/dbraw/zinc/07/09/13/160070913.db2.gz HVNNJMILUGYVRR-NSODJVPESA-N 0 0 323.393 0.590 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCOC2)C1)[S@@](C)=O ZINC000408274974 160074295 /nfs/dbraw/zinc/07/42/95/160074295.db2.gz QZDHRMLEMMPNPT-JNHSQIPHSA-N 0 0 304.412 0.344 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(C)(O)CC1 ZINC000408277946 160074966 /nfs/dbraw/zinc/07/49/66/160074966.db2.gz SZTFDLQXOLTFKO-UHFFFAOYSA-N 0 0 318.420 0.691 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000408291992 160077705 /nfs/dbraw/zinc/07/77/05/160077705.db2.gz AZMNGMKWXYHRDC-SNVBAGLBSA-N 0 0 306.366 0.558 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305211 160080931 /nfs/dbraw/zinc/08/09/31/160080931.db2.gz IABQVSWWYCQKFR-WCBMZHEXSA-N 0 0 315.313 0.337 10 0 DCAERN Cc1[nH]nc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1C ZINC000408306692 160081527 /nfs/dbraw/zinc/08/15/27/160081527.db2.gz QVRDSBNHJYXEAA-LBPRGKRZSA-N 0 0 306.366 0.536 10 0 DCAERN CCN(CC)C(=O)C1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000408306269 160081718 /nfs/dbraw/zinc/08/17/18/160081718.db2.gz CFOORBKKFXQKBN-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN COC1(CNC(=O)N2CCO[C@@H](CO)C2)CCC(C)CC1 ZINC000408311485 160083448 /nfs/dbraw/zinc/08/34/48/160083448.db2.gz ZFHJTCLAJDIHBP-JVWICGRDSA-N 0 0 300.399 0.984 10 0 DCAERN CC[C@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000408326222 160085618 /nfs/dbraw/zinc/08/56/18/160085618.db2.gz KHPHGWLZCUZMBJ-SMDDNHRTSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408331438 160087014 /nfs/dbraw/zinc/08/70/14/160087014.db2.gz XBTWROMKBGGSPB-DGCLKSJQSA-N 0 0 318.439 0.684 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000408341486 160088052 /nfs/dbraw/zinc/08/80/52/160088052.db2.gz RKLXUBXFGNFPON-MNOVXSKESA-N 0 0 317.411 0.089 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408350010 160089776 /nfs/dbraw/zinc/08/97/76/160089776.db2.gz NHTFHQNPJGWDMI-WBMJQRKESA-N 0 0 323.393 0.472 10 0 DCAERN CO[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C[C@@H]1OC ZINC000408363927 160092487 /nfs/dbraw/zinc/09/24/87/160092487.db2.gz COSJTXTUWNNPMS-AVGNSLFASA-N 0 0 313.398 0.441 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000408367811 160093143 /nfs/dbraw/zinc/09/31/43/160093143.db2.gz YIIQOFZNBSDEIB-HZSPNIEDSA-N 0 0 319.471 0.208 10 0 DCAERN Cc1cnc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(O)c1 ZINC000408365166 160093236 /nfs/dbraw/zinc/09/32/36/160093236.db2.gz HDCMFODEHINPLJ-JTQLQIEISA-N 0 0 313.379 0.249 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000408370332 160093919 /nfs/dbraw/zinc/09/39/19/160093919.db2.gz JLAXGCSEGXGSJZ-IAQYHMDHSA-N 0 0 323.418 0.909 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000408383908 160096503 /nfs/dbraw/zinc/09/65/03/160096503.db2.gz DMSDOIYWEUFOJO-ZDUSSCGKSA-N 0 0 319.361 0.559 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000408385905 160097358 /nfs/dbraw/zinc/09/73/58/160097358.db2.gz MWKUTKIVJKHTBF-AAEUAGOBSA-N 0 0 318.439 0.719 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408389487 160098498 /nfs/dbraw/zinc/09/84/98/160098498.db2.gz KVMBIWPEBBHUNY-VIFPVBQESA-N 0 0 313.301 0.591 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)Nc2ccnn2C)CCN1C ZINC000408393217 160099341 /nfs/dbraw/zinc/09/93/41/160099341.db2.gz HRCUVNVUERUUPA-NSHDSACASA-N 0 0 303.370 0.674 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1O ZINC000408410131 160102982 /nfs/dbraw/zinc/10/29/82/160102982.db2.gz JWETYSVUKSWOBG-VIFPVBQESA-N 0 0 311.359 0.854 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408435822 160107413 /nfs/dbraw/zinc/10/74/13/160107413.db2.gz PZPFRLDNWMIGLY-GRYCIOLGSA-N 0 0 310.485 0.913 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408435823 160107797 /nfs/dbraw/zinc/10/77/97/160107797.db2.gz PZPFRLDNWMIGLY-IJLUTSLNSA-N 0 0 310.485 0.913 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408434795 160107798 /nfs/dbraw/zinc/10/77/98/160107798.db2.gz SAQMDZIWIJVOFI-UMSGYPCISA-N 0 0 308.444 0.727 10 0 DCAERN CN(CC1(CO)CC1)S(=O)(=O)N1CCc2ccccc2C1 ZINC000408443982 160109021 /nfs/dbraw/zinc/10/90/21/160109021.db2.gz QBUHTTUOKPRSKY-UHFFFAOYSA-N 0 0 310.419 0.994 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000408452976 160111220 /nfs/dbraw/zinc/11/12/20/160111220.db2.gz PGOJUWWCFQXKFE-ZDUSSCGKSA-N 0 0 319.409 0.744 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408460154 160112757 /nfs/dbraw/zinc/11/27/57/160112757.db2.gz MAXIGUSGPDNWSH-IGQOVBAYSA-N 0 0 320.455 0.271 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000408464838 160114108 /nfs/dbraw/zinc/11/41/08/160114108.db2.gz FWXPUJSWPGDTLA-SECBINFHSA-N 0 0 320.212 0.972 10 0 DCAERN Cc1nnc([C@H](C)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)[nH]1 ZINC000408470107 160115262 /nfs/dbraw/zinc/11/52/62/160115262.db2.gz VDXZZBLWVAOWJO-INTQDDNPSA-N 0 0 301.416 0.624 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408470419 160115272 /nfs/dbraw/zinc/11/52/72/160115272.db2.gz UVENXMCUPKESJO-IGQOVBAYSA-N 0 0 322.405 0.781 10 0 DCAERN Cc1nn(CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(C)c1Cl ZINC000408469998 160115740 /nfs/dbraw/zinc/11/57/40/160115740.db2.gz PXLLKHIMNQNMKT-GHMZBOCLSA-N 0 0 301.774 0.762 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)Cc1nc[nH]n1 ZINC000408473827 160116038 /nfs/dbraw/zinc/11/60/38/160116038.db2.gz LDIPUZSQTFVQKH-VXGBXAGGSA-N 0 0 300.366 0.931 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)c2cnn3ccc(C)nc23)n1 ZINC000068676857 286908772 /nfs/dbraw/zinc/90/87/72/286908772.db2.gz JOQJZEDAUZOEDA-UHFFFAOYSA-N 0 0 314.305 0.660 10 0 DCAERN COC(=O)CCCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000073484192 286913038 /nfs/dbraw/zinc/91/30/38/286913038.db2.gz SXUIWNAZTNEJIJ-GFCCVEGCSA-N 0 0 323.397 0.641 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000074376123 286916222 /nfs/dbraw/zinc/91/62/22/286916222.db2.gz MELLNZYXEOBQOV-RYUDHWBXSA-N 0 0 310.398 0.260 10 0 DCAERN COCCN1C[C@H](C(=O)N(C)c2cccnc2N(C)C)CC1=O ZINC000079725977 286925228 /nfs/dbraw/zinc/92/52/28/286925228.db2.gz YKLINEXBORLENF-GFCCVEGCSA-N 0 0 320.393 0.605 10 0 DCAERN CC[C@@H](NC(=O)NCc1cccc(C)n1)C(=O)N1CCOCC1 ZINC000084433066 286930506 /nfs/dbraw/zinc/93/05/06/286930506.db2.gz WBRYBZBDTSXIKC-CQSZACIVSA-N 0 0 320.393 0.827 10 0 DCAERN CN1CC[C@@H](N2CCN(Cc3nccn3C(F)F)CC2)C1=O ZINC000081609927 286929583 /nfs/dbraw/zinc/92/95/83/286929583.db2.gz JFGAWAXAICOGND-LLVKDONJSA-N 0 0 313.352 0.627 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CC(C(=O)NCC)C1 ZINC000091414405 286935968 /nfs/dbraw/zinc/93/59/68/286935968.db2.gz KDWTZBIUUAFCSC-UHFFFAOYSA-N 0 0 321.381 0.216 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(C)c2)C1 ZINC000091414398 286936019 /nfs/dbraw/zinc/93/60/19/286936019.db2.gz CMRCDUMQSHRWKN-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132082385 287003543 /nfs/dbraw/zinc/00/35/43/287003543.db2.gz FIZKNJOLNWDFEG-LBPRGKRZSA-N 0 0 308.382 0.590 10 0 DCAERN C[C@@H](NC(=O)CCCS(=O)(=O)N1CCCC1)[C@H](C)CO ZINC000132161698 287003847 /nfs/dbraw/zinc/00/38/47/287003847.db2.gz NHHQRIDNOVBYBR-VXGBXAGGSA-N 0 0 306.428 0.325 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](C)[C@H](C)CO)c1C ZINC000131395996 287000047 /nfs/dbraw/zinc/00/00/47/287000047.db2.gz ZYYCRIREGZOUKR-KOLCDFICSA-N 0 0 314.407 0.698 10 0 DCAERN CN1C[C@H](NC(=O)CCNC(=O)c2ccsc2)CCC1=O ZINC000134096918 287015001 /nfs/dbraw/zinc/01/50/01/287015001.db2.gz UOLHYNXIHDAYEJ-LLVKDONJSA-N 0 0 309.391 0.605 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2[C@H](C)CC[C@H]2C)n(C)n1 ZINC000134289523 287015879 /nfs/dbraw/zinc/01/58/79/287015879.db2.gz WGPRUJYWQGPJCQ-GHMZBOCLSA-N 0 0 308.382 0.947 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)CCCc1ccc(F)c(F)c1 ZINC000135112567 287020527 /nfs/dbraw/zinc/02/05/27/287020527.db2.gz CCKGWKGIRNBXES-LBPRGKRZSA-N 0 0 301.289 0.938 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000135509807 287022793 /nfs/dbraw/zinc/02/27/93/287022793.db2.gz USGQPEMPSLIDLT-NEPJUHHUSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000141316248 287029537 /nfs/dbraw/zinc/02/95/37/287029537.db2.gz ZTVSOZWHIFPUOS-HTQZYQBOSA-N 0 0 302.318 0.725 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000150714570 287030439 /nfs/dbraw/zinc/03/04/39/287030439.db2.gz VWCGKHSXUOAGGU-OLZOCXBDSA-N 0 0 317.389 0.885 10 0 DCAERN Cn1cc(NC(=O)COc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000150745013 287030481 /nfs/dbraw/zinc/03/04/81/287030481.db2.gz NLBCXKLULLPLLZ-UHFFFAOYSA-N 0 0 307.281 0.241 10 0 DCAERN CCCNC(=O)CCNC(=O)C(=O)Nc1ccnn1CCC ZINC000151830781 287036477 /nfs/dbraw/zinc/03/64/77/287036477.db2.gz JTSWMWGYWKIYLC-UHFFFAOYSA-N 0 0 309.370 0.264 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000151878020 287036645 /nfs/dbraw/zinc/03/66/45/287036645.db2.gz BDGBNHZQURKHHJ-VIFPVBQESA-N 0 0 323.315 0.572 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1csc(-c2ccoc2)n1 ZINC000152131098 287038944 /nfs/dbraw/zinc/03/89/44/287038944.db2.gz YWQZSXFECXQHKI-MRVPVSSYSA-N 0 0 305.315 0.938 10 0 DCAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152129226 287039074 /nfs/dbraw/zinc/03/90/74/287039074.db2.gz RBMUSCINTDBWDH-RDDDGLTNSA-N 0 0 312.272 0.654 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3ncon3)cc2)O1 ZINC000152312600 287040620 /nfs/dbraw/zinc/04/06/20/287040620.db2.gz XQXMNDZKVUUVFB-NWDGAFQWSA-N 0 0 316.317 0.499 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000152936144 287045086 /nfs/dbraw/zinc/04/50/86/287045086.db2.gz UERPKSOMGPIJIN-NSHDSACASA-N 0 0 324.468 0.472 10 0 DCAERN CSC[C@H](CCO)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000153269945 287048754 /nfs/dbraw/zinc/04/87/54/287048754.db2.gz HLWZCAYQKJNLGB-JTQLQIEISA-N 0 0 309.391 0.560 10 0 DCAERN CCc1nc(CNS(=O)(=O)CCOCCOC)cs1 ZINC000153455940 287050088 /nfs/dbraw/zinc/05/00/88/287050088.db2.gz BEXCOWMDFWKSAK-UHFFFAOYSA-N 0 0 308.425 0.788 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000153450380 287050145 /nfs/dbraw/zinc/05/01/45/287050145.db2.gz FKMYDDRJKWVIGV-SNVBAGLBSA-N 0 0 317.276 0.202 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cn1 ZINC000179145661 287055261 /nfs/dbraw/zinc/05/52/61/287055261.db2.gz AHCJCHIIFYEPOE-PHIMTYICSA-N 0 0 303.366 0.596 10 0 DCAERN Cc1ccccc1-c1nnn(C[C@H](O)CN2CCOCC2)n1 ZINC000193398548 287060819 /nfs/dbraw/zinc/06/08/19/287060819.db2.gz MVOLQPVYNBVSND-CYBMUJFWSA-N 0 0 303.366 0.342 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245580206 287070896 /nfs/dbraw/zinc/07/08/96/287070896.db2.gz BCHIVGUVFOKZNX-GMXVVIOVSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000245692486 287072274 /nfs/dbraw/zinc/07/22/74/287072274.db2.gz WIWPFYYDGLVFST-QNWHQSFQSA-N 0 0 306.428 0.576 10 0 DCAERN CC[C@H]1CN([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736777 287072613 /nfs/dbraw/zinc/07/26/13/287072613.db2.gz KPLSNVBTRJNPHM-MNOVXSKESA-N 0 0 321.368 0.325 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246222355 287079650 /nfs/dbraw/zinc/07/96/50/287079650.db2.gz VDDQJDUKDKADFY-NQBHXWOUSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2nccs2)[C@@H](C)CO1 ZINC000246287794 287080725 /nfs/dbraw/zinc/08/07/25/287080725.db2.gz VYQYGHXRGAIPSX-VHSXEESVSA-N 0 0 305.425 0.629 10 0 DCAERN CC[C@@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000246479612 287084284 /nfs/dbraw/zinc/08/42/84/287084284.db2.gz OULCGXDLQHBFFZ-XJFOESAGSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000246376645 287082139 /nfs/dbraw/zinc/08/21/39/287082139.db2.gz MQUCFLDQSWPSNO-WDEREUQCSA-N 0 0 312.457 0.376 10 0 DCAERN CCN1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247383118 287093368 /nfs/dbraw/zinc/09/33/68/287093368.db2.gz PFDNMRVUABQSFL-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000247259945 287092452 /nfs/dbraw/zinc/09/24/52/287092452.db2.gz XOLBWUUQGCHOPR-CLLJXQQHSA-N 0 0 318.439 0.684 10 0 DCAERN CC(C)c1nnc2n1CCN([C@@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000248193282 287095943 /nfs/dbraw/zinc/09/59/43/287095943.db2.gz MXSHAISNGXZRSL-QWHCGFSZSA-N 0 0 321.425 0.901 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131493 287096105 /nfs/dbraw/zinc/09/61/05/287096105.db2.gz HZHFRDMCWHZBKP-MQYQWHSLSA-N 0 0 302.440 0.503 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000248657307 287099501 /nfs/dbraw/zinc/09/95/01/287099501.db2.gz XFLHYKVVFFAOGT-PWSUYJOCSA-N 0 0 303.428 0.549 10 0 DCAERN CCN(CCCNC(=O)[C@@H]1CCOC[C@H]1C)S(C)(=O)=O ZINC000248860037 287102296 /nfs/dbraw/zinc/10/22/96/287102296.db2.gz LUXPZUVJIYIHEG-VXGBXAGGSA-N 0 0 306.428 0.447 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000249391647 287109724 /nfs/dbraw/zinc/10/97/24/287109724.db2.gz BSAZZROCLMMOAP-SUNKGSAMSA-N 0 0 306.362 0.587 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000249526465 287113001 /nfs/dbraw/zinc/11/30/01/287113001.db2.gz JAOQEKZGCZJLIW-KGYLQXTDSA-N 0 0 305.382 0.791 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249555324 287113904 /nfs/dbraw/zinc/11/39/04/287113904.db2.gz LUVZARLIEWUWRF-GVXVVHGQSA-N 0 0 318.377 0.837 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@@H]1C(=O)NCC[C@H]1C)c1ccccc1 ZINC000249589313 287115343 /nfs/dbraw/zinc/11/53/43/287115343.db2.gz OVNMBZDTJHMOKA-XFJVYGCCSA-N 0 0 317.389 0.895 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCO[C@H]3C)C2=O)n(C)n1 ZINC000249616106 287116563 /nfs/dbraw/zinc/11/65/63/287116563.db2.gz POBGNWUALZHSFL-XQQFMLRXSA-N 0 0 320.393 0.765 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@H](C)O[C@H](COC)C2)cs1 ZINC000251632396 287119473 /nfs/dbraw/zinc/11/94/73/287119473.db2.gz GXLCSJQIOHMYKP-JQWIXIFHSA-N 0 0 313.423 0.667 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1C(=O)NCC[C@@H]1C)C(C)C ZINC000249606537 287116078 /nfs/dbraw/zinc/11/60/78/287116078.db2.gz RIEGXJRQDGUXNS-FPMFFAJLSA-N 0 0 311.426 0.814 10 0 DCAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@]2(CCOC2)O1 ZINC000408326131 287134951 /nfs/dbraw/zinc/13/49/51/287134951.db2.gz JDHYVDBBSOVJLB-TZMCWYRMSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000357267320 287204696 /nfs/dbraw/zinc/20/46/96/287204696.db2.gz UTIDRAVGRLFJEP-LLVKDONJSA-N 0 0 324.402 0.498 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H](CO)C2CC2)co1 ZINC000358307585 287206325 /nfs/dbraw/zinc/20/63/25/287206325.db2.gz IHBZHZGEXMIMMU-LLVKDONJSA-N 0 0 316.379 0.278 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)C[C@@]2(CCOC2)O1 ZINC000369612337 287203921 /nfs/dbraw/zinc/20/39/21/287203921.db2.gz HLBPINPWWDEVSY-YNEHKIRRSA-N 0 0 307.412 0.621 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000375116623 287227185 /nfs/dbraw/zinc/22/71/85/287227185.db2.gz WHHQQBDAQGAWNK-WFASDCNBSA-N 0 0 313.398 0.348 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000408061422 287233129 /nfs/dbraw/zinc/23/31/29/287233129.db2.gz JYWDFOPRYJKUQR-CMPLNLGQSA-N 0 0 320.411 0.273 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)CC1=O ZINC000608094492 412284500 /nfs/dbraw/zinc/28/45/00/412284500.db2.gz SGGBCRGEYOCRGS-WEDXCCLWSA-N 0 0 302.338 0.490 10 0 DCAERN O=S1(=O)C[C@@H](Nc2nccn3nnnc23)c2ccccc21 ZINC000545346950 412428374 /nfs/dbraw/zinc/42/83/74/412428374.db2.gz OPCUSCIVFHLGMH-SECBINFHSA-N 0 0 302.319 0.460 10 0 DCAERN C[C@@H](CNC(=O)c1csc(NC2CC2)n1)S(N)(=O)=O ZINC000543849683 412465425 /nfs/dbraw/zinc/46/54/25/412465425.db2.gz RFJSWLMSSGFUCX-LURJTMIESA-N 0 0 304.397 0.124 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000046331514 415260202 /nfs/dbraw/zinc/26/02/02/415260202.db2.gz QYWCNHIEYNHVBU-ZIAGYGMSSA-N 0 0 303.362 0.879 10 0 DCAERN C[C@H](NC(=O)NCC(=O)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000048038567 415283189 /nfs/dbraw/zinc/28/31/89/415283189.db2.gz DGBRTXKUNYCZMY-NSHDSACASA-N 0 0 316.365 0.716 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCCC1CCCC1)c2=O ZINC000044705988 415225197 /nfs/dbraw/zinc/22/51/97/415225197.db2.gz OKRYIYOKTYXVOQ-UHFFFAOYSA-N 0 0 303.366 0.827 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000070302962 415403948 /nfs/dbraw/zinc/40/39/48/415403948.db2.gz SLUVKHPVLOZBLM-LBPRGKRZSA-N 0 0 313.375 0.859 10 0 DCAERN c1ccc(-n2nnnc2NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000066745682 415364980 /nfs/dbraw/zinc/36/49/80/415364980.db2.gz JGQKGIWQBSUBHU-CQSZACIVSA-N 0 0 300.366 0.937 10 0 DCAERN COc1cc(OC)c(CNC(=O)[C@H]2CCC(=O)N2)c(OC)c1 ZINC000075013730 415434942 /nfs/dbraw/zinc/43/49/42/415434942.db2.gz XEAKWOJTDZAKFL-LLVKDONJSA-N 0 0 308.334 0.607 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@H]21 ZINC000332758779 415465384 /nfs/dbraw/zinc/46/53/84/415465384.db2.gz OMGMSXBUIYUZJH-KGLIPLIRSA-N 0 0 311.426 0.918 10 0 DCAERN Cn1ncc2c1nc(N1CCC(O)(C(F)(F)F)CC1)nc2N ZINC000276318751 415471772 /nfs/dbraw/zinc/47/17/72/415471772.db2.gz TZXGISJQKRRMHX-UHFFFAOYSA-N 0 0 316.287 0.839 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cn(CC(C)C)cn2)C1 ZINC000343138891 415472003 /nfs/dbraw/zinc/47/20/03/415472003.db2.gz ONQFXRGBHJRCGN-RYUDHWBXSA-N 0 0 317.411 0.309 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000332790189 415478856 /nfs/dbraw/zinc/47/88/56/415478856.db2.gz VXBFGQSSPSLWHZ-WDEREUQCSA-N 0 0 305.334 0.356 10 0 DCAERN CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000332989834 415522827 /nfs/dbraw/zinc/52/28/27/415522827.db2.gz JEKWGMHCZQNTLS-WCQYABFASA-N 0 0 318.377 0.770 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)NCC2CC(O)C2)cc1 ZINC000091416095 415536736 /nfs/dbraw/zinc/53/67/36/415536736.db2.gz UPEHWPGXMSIKOO-UHFFFAOYSA-N 0 0 312.391 0.486 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)N2CCc3cccc(C)c32)C1 ZINC000091414300 415536840 /nfs/dbraw/zinc/53/68/40/415536840.db2.gz LPPBZZLFWMAMOH-UHFFFAOYSA-N 0 0 315.373 0.479 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000333070676 415545964 /nfs/dbraw/zinc/54/59/64/415545964.db2.gz KFGWQVXVFGMXCA-SRVKXCTJSA-N 0 0 306.370 0.292 10 0 DCAERN CCOc1nc2ccccc2nc1N1CC[NH2+][C@H](C(=O)[O-])C1 ZINC000095091809 415549840 /nfs/dbraw/zinc/54/98/40/415549840.db2.gz LMCKOZMHRXMEAP-LBPRGKRZSA-N 0 0 302.334 0.891 10 0 DCAERN CC(=O)NC[C@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCO1 ZINC000333135463 415567069 /nfs/dbraw/zinc/56/70/69/415567069.db2.gz ILLSVQHCNSUZGK-ZOBORPQBSA-N 0 0 316.423 0.342 10 0 DCAERN O=S(=O)(c1cnn2c1OCCC2)N1CCO[C@@H](C2CC2)C1 ZINC000333142952 415570339 /nfs/dbraw/zinc/57/03/39/415570339.db2.gz JPYIBNLXRCXNMX-LLVKDONJSA-N 0 0 313.379 0.465 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333157339 415572962 /nfs/dbraw/zinc/57/29/62/415572962.db2.gz LIRUXXVDIXIORD-WRWGMCAJSA-N 0 0 322.452 0.258 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2nnc(-c3ccccc3)n2C)CCO1 ZINC000103147120 415608784 /nfs/dbraw/zinc/60/87/84/415608784.db2.gz YWTYAXJQQPNTSZ-ZDUSSCGKSA-N 0 0 316.361 0.856 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333364848 415626380 /nfs/dbraw/zinc/62/63/80/415626380.db2.gz YFTWALJXCHEJAX-ZIEJDFEHSA-N 0 0 306.362 0.815 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N[C@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276917 415597331 /nfs/dbraw/zinc/59/73/31/415597331.db2.gz DMFCRKFBNFSMNL-BNOWGMLFSA-N 0 0 324.402 0.889 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000333443514 415652274 /nfs/dbraw/zinc/65/22/74/415652274.db2.gz QDOBXFARKZECQT-GRYCIOLGSA-N 0 0 318.439 0.873 10 0 DCAERN c1cc(NCCCOC[C@H]2CCOC2)nc(N2CCOCC2)n1 ZINC000353949787 415697100 /nfs/dbraw/zinc/69/71/00/415697100.db2.gz FIDLELCBVCMCKW-CQSZACIVSA-N 0 0 322.409 1.168 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000118994202 415734466 /nfs/dbraw/zinc/73/44/66/415734466.db2.gz OKKBVQWYGMQVKE-VXGBXAGGSA-N 0 0 312.414 0.601 10 0 DCAERN COc1c(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)nn1C ZINC000112273439 415708834 /nfs/dbraw/zinc/70/88/34/415708834.db2.gz VZLXZWXXVFAYRQ-NSHDSACASA-N 0 0 318.381 0.885 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnn(-c2ccccn2)c1C ZINC000120348224 415762174 /nfs/dbraw/zinc/76/21/74/415762174.db2.gz MLXLOOQYDRLIMX-ZDUSSCGKSA-N 0 0 313.361 0.926 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120484236 415769228 /nfs/dbraw/zinc/76/92/28/415769228.db2.gz AOQJIKVREGQPPM-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCS1(=O)=O ZINC000122307493 415831064 /nfs/dbraw/zinc/83/10/64/415831064.db2.gz YGLAEHWHOTVDCQ-SMDDNHRTSA-N 0 0 322.386 0.825 10 0 DCAERN COCCOCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122416644 415832891 /nfs/dbraw/zinc/83/28/91/415832891.db2.gz SUCVMTRFMDDYQC-CQSZACIVSA-N 0 0 322.409 0.957 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000122398121 415833476 /nfs/dbraw/zinc/83/34/76/415833476.db2.gz MEDBJLVUWSWRLY-GHMZBOCLSA-N 0 0 304.437 0.824 10 0 DCAERN Cc1cc(C)n2nc(C(=O)Nc3ccc(C(N)=O)nc3)nc2n1 ZINC000122793738 415837045 /nfs/dbraw/zinc/83/70/45/415837045.db2.gz QYEDXJHWQJEGNO-UHFFFAOYSA-N 0 0 311.305 0.487 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000123878491 415846860 /nfs/dbraw/zinc/84/68/60/415846860.db2.gz JZAKQGVXAGXJTG-GFCCVEGCSA-N 0 0 314.430 0.169 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000120665919 415779773 /nfs/dbraw/zinc/77/97/73/415779773.db2.gz ZRIPBKXVNJFVRO-QMTHXVAHSA-N 0 0 321.406 0.861 10 0 DCAERN O=C(CSCC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000121354063 415799514 /nfs/dbraw/zinc/79/95/14/415799514.db2.gz QCLFXQDVHCWBAA-UHFFFAOYSA-N 0 0 306.387 0.951 10 0 DCAERN CC1(C)CCC[C@@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334102961 415806571 /nfs/dbraw/zinc/80/65/71/415806571.db2.gz WZTPMMHLFHAKCY-YWPYICTPSA-N 0 0 323.397 0.458 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)no2)c1 ZINC000121674801 415814215 /nfs/dbraw/zinc/81/42/15/415814215.db2.gz GKUYJBMUYUKHTL-GFCCVEGCSA-N 0 0 303.366 0.909 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122040205 415823890 /nfs/dbraw/zinc/82/38/90/415823890.db2.gz ZBFAXNNSPZOVPM-NWDGAFQWSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCS1(=O)=O ZINC000126026667 415869471 /nfs/dbraw/zinc/86/94/71/415869471.db2.gz CUCQPTMVDMCERJ-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN CCN(CCO)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126101754 415869624 /nfs/dbraw/zinc/86/96/24/415869624.db2.gz CFPDRRIYLQVLGN-LBPRGKRZSA-N 0 0 318.377 0.809 10 0 DCAERN NC(=O)NC(=O)Cn1cnc2sc3c(c2c1=O)CCCCC3 ZINC000126276864 415874046 /nfs/dbraw/zinc/87/40/46/415874046.db2.gz QAVJBOKZJDRAAL-UHFFFAOYSA-N 0 0 320.374 0.922 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1Cc1nnnn1-c1ccccc1 ZINC000344366217 415896584 /nfs/dbraw/zinc/89/65/84/415896584.db2.gz LMFGFGMCLIWOSC-KGLIPLIRSA-N 0 0 303.366 0.898 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000131072080 415927211 /nfs/dbraw/zinc/92/72/11/415927211.db2.gz WHFSVRSOLRKNFD-CHWSQXEVSA-N 0 0 314.430 0.393 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)ccc2o1 ZINC000125266357 415862678 /nfs/dbraw/zinc/86/26/78/415862678.db2.gz PYFNWELUVZJJFY-MRVPVSSYSA-N 0 0 316.317 0.422 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000134131203 415953306 /nfs/dbraw/zinc/95/33/06/415953306.db2.gz WMCHOEHGPGCBRI-NWDGAFQWSA-N 0 0 306.366 0.761 10 0 DCAERN Cc1ccc(Cn2nccc2NC(=O)C[C@@H]2NC(=O)NC2=O)o1 ZINC000134221839 415956631 /nfs/dbraw/zinc/95/66/31/415956631.db2.gz OOQZHGOJARIBPJ-JTQLQIEISA-N 0 0 317.305 0.369 10 0 DCAERN C[C@@H](CNC(=O)c1ncccc1Br)S(N)(=O)=O ZINC000356592040 415956774 /nfs/dbraw/zinc/95/67/74/415956774.db2.gz KCWAKBWJKLELHA-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc(-n2cccn2)ccn1 ZINC000134921963 415958432 /nfs/dbraw/zinc/95/84/32/415958432.db2.gz HWJQVBASBVABFY-NSHDSACASA-N 0 0 309.333 0.604 10 0 DCAERN Cc1cc(C)c(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(C)c1 ZINC000152667105 415968400 /nfs/dbraw/zinc/96/84/00/415968400.db2.gz SIPDGAOZLDOQLW-AWEZNQCLSA-N 0 0 301.390 0.754 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000152682979 415969561 /nfs/dbraw/zinc/96/95/61/415969561.db2.gz SFZYYFOKOJKVFO-SKDRFNHKSA-N 0 0 309.391 0.558 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000152747753 415969679 /nfs/dbraw/zinc/96/96/79/415969679.db2.gz XOZBLLMFKFTVRD-UONOGXRCSA-N 0 0 315.377 0.934 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCN(C)C(=O)C3)CC2=O)cc1 ZINC000152841625 415971600 /nfs/dbraw/zinc/97/16/00/415971600.db2.gz VHABFNYJXGFECH-ZDUSSCGKSA-N 0 0 315.373 0.649 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000153325773 415978859 /nfs/dbraw/zinc/97/88/59/415978859.db2.gz XPEZDAWDOIJTTE-KWQFWETISA-N 0 0 321.381 0.722 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000153376121 415980041 /nfs/dbraw/zinc/98/00/41/415980041.db2.gz YDXCUFXTMSZPOZ-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN CCOC(=O)[C@]1(C)CCN(c2nn3c(nccc3=O)s2)C1 ZINC000154922692 415990839 /nfs/dbraw/zinc/99/08/39/415990839.db2.gz JMMBIMWSHTYTJY-CYBMUJFWSA-N 0 0 308.363 0.931 10 0 DCAERN C[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1cccc(F)c1 ZINC000132763276 415934724 /nfs/dbraw/zinc/93/47/24/415934724.db2.gz MGEHXTPDYAKMSY-SWLSCSKDSA-N 0 0 310.369 0.739 10 0 DCAERN CN(CCc1nccs1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000132991541 415937719 /nfs/dbraw/zinc/93/77/19/415937719.db2.gz YLCVIZDPLKWAAD-JTQLQIEISA-N 0 0 306.395 0.934 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@H]1CCN(C)C1=O)c1ccccc1 ZINC000172544328 416047205 /nfs/dbraw/zinc/04/72/05/416047205.db2.gz QQCUIJRUCPIKGP-UONOGXRCSA-N 0 0 303.362 0.601 10 0 DCAERN Cn1cc(NC(=O)c2cc(F)c(F)c(F)c2)c(=O)n(C)c1=O ZINC000173086905 416052538 /nfs/dbraw/zinc/05/25/38/416052538.db2.gz SODZILIEESFZEJ-UHFFFAOYSA-N 0 0 313.235 0.754 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000173339360 416056578 /nfs/dbraw/zinc/05/65/78/416056578.db2.gz ZASFDAAHNFURQQ-YPMHNXCESA-N 0 0 303.362 0.775 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173471059 416058586 /nfs/dbraw/zinc/05/85/86/416058586.db2.gz VTGYPXPEMOAXKE-UWVGGRQHSA-N 0 0 303.428 0.922 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)CC(=O)N(C)C)ncn1 ZINC000173418319 416059028 /nfs/dbraw/zinc/05/90/28/416059028.db2.gz QVVTYNRJPSKEIY-LLVKDONJSA-N 0 0 320.397 0.082 10 0 DCAERN CC(C)(NCC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000173423805 416059327 /nfs/dbraw/zinc/05/93/27/416059327.db2.gz DEILFFVKOTVIJF-JTQLQIEISA-N 0 0 310.423 0.692 10 0 DCAERN CC(=O)N1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000357307506 416059526 /nfs/dbraw/zinc/05/95/26/416059526.db2.gz RGGYVAKWQNDVIM-TZMCWYRMSA-N 0 0 317.455 0.211 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173553042 416059620 /nfs/dbraw/zinc/05/96/20/416059620.db2.gz MRRWIKAYERBTCW-CYBMUJFWSA-N 0 0 323.397 0.710 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000173506374 416059758 /nfs/dbraw/zinc/05/97/58/416059758.db2.gz IEIRYFGUOWIMAE-CYBMUJFWSA-N 0 0 313.423 0.472 10 0 DCAERN CC(=O)N1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000357307497 416060505 /nfs/dbraw/zinc/06/05/05/416060505.db2.gz RGGYVAKWQNDVIM-GXTWGEPZSA-N 0 0 317.455 0.211 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)CCC(C)C)CCO2)[nH]1 ZINC000173734062 416063484 /nfs/dbraw/zinc/06/34/84/416063484.db2.gz OGMDFPDIQXMKSP-LLVKDONJSA-N 0 0 302.400 0.862 10 0 DCAERN COc1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000173906958 416066676 /nfs/dbraw/zinc/06/66/76/416066676.db2.gz VKKQUTQDWJVAFD-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173861690 416067127 /nfs/dbraw/zinc/06/71/27/416067127.db2.gz IQVBJQKWVVHXNO-MLGOLLRUSA-N 0 0 320.437 0.759 10 0 DCAERN CCn1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)ccc1=O ZINC000173873801 416067646 /nfs/dbraw/zinc/06/76/46/416067646.db2.gz WGJYHMDISKDGJT-AWEZNQCLSA-N 0 0 320.393 0.807 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000173935434 416069796 /nfs/dbraw/zinc/06/97/96/416069796.db2.gz RCAINQAFBWNGTM-XHSDSOJGSA-N 0 0 309.454 0.897 10 0 DCAERN CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000173941529 416069948 /nfs/dbraw/zinc/06/99/48/416069948.db2.gz INCXYZGUXFCSIM-CYBMUJFWSA-N 0 0 324.425 0.113 10 0 DCAERN CN(C)C(=O)CCNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000174025518 416072264 /nfs/dbraw/zinc/07/22/64/416072264.db2.gz NOGPYANVKFHHRG-GFCCVEGCSA-N 0 0 322.413 0.166 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000174136449 416073836 /nfs/dbraw/zinc/07/38/36/416073836.db2.gz CFHKDXDAEVXPRK-NSHDSACASA-N 0 0 303.370 0.926 10 0 DCAERN CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000356932309 416008008 /nfs/dbraw/zinc/00/80/08/416008008.db2.gz ZUAWAOZYXIAAEO-VIFPVBQESA-N 0 0 305.290 0.684 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)NCC1CCSCC1 ZINC000356968935 416012649 /nfs/dbraw/zinc/01/26/49/416012649.db2.gz VBCGHYORPMUKIG-UHFFFAOYSA-N 0 0 308.407 0.694 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2 ZINC000161589208 416014014 /nfs/dbraw/zinc/01/40/14/416014014.db2.gz YQCRGMKAQQNOBE-MNOVXSKESA-N 0 0 320.397 0.246 10 0 DCAERN CC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000163718355 416015155 /nfs/dbraw/zinc/01/51/55/416015155.db2.gz OPTCQPKSJQHIQW-DGCLKSJQSA-N 0 0 306.362 0.884 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000170690494 416029005 /nfs/dbraw/zinc/02/90/05/416029005.db2.gz OUTHFYLXEMLEJZ-NSHDSACASA-N 0 0 324.406 0.833 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000170683593 416029310 /nfs/dbraw/zinc/02/93/10/416029310.db2.gz IYDMYFWOXGCCLA-GFCCVEGCSA-N 0 0 311.769 0.725 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](OC)[C@H](C)CC ZINC000357128695 416036187 /nfs/dbraw/zinc/03/61/87/416036187.db2.gz RCYXJRLXBMSEMZ-NOOOWODRSA-N 0 0 316.398 0.620 10 0 DCAERN O=S(=O)(NCC1CC1)c1ccc(N2CCC[C@@H]2CO)nc1 ZINC000301354361 416082347 /nfs/dbraw/zinc/08/23/47/416082347.db2.gz KAVXRRYMSLKCPS-GFCCVEGCSA-N 0 0 311.407 0.731 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H]3CC(=O)N(C4CC4)C3)sc2n1 ZINC000301479117 416083710 /nfs/dbraw/zinc/08/37/10/416083710.db2.gz CTWMQSDFASDAKH-VIFPVBQESA-N 0 0 319.390 0.889 10 0 DCAERN NC(=O)c1cncc(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000301684257 416087732 /nfs/dbraw/zinc/08/77/32/416087732.db2.gz UWIUMFVYJKXRFC-NSHDSACASA-N 0 0 303.366 0.779 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](COC)C1)CC2 ZINC000174961310 416091759 /nfs/dbraw/zinc/09/17/59/416091759.db2.gz PKQINBPTPXUXAK-RYUDHWBXSA-N 0 0 323.397 0.212 10 0 DCAERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)[C@@H]1CNC(=O)C1 ZINC000174976796 416092330 /nfs/dbraw/zinc/09/23/30/416092330.db2.gz RCGWDZGKVZLERB-JTQLQIEISA-N 0 0 304.350 0.969 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174997515 416093089 /nfs/dbraw/zinc/09/30/89/416093089.db2.gz GNSJTBFNNYYITA-JHJVBQTASA-N 0 0 320.393 0.765 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnn(C)c3)C2=O)n(C)n1 ZINC000175021275 416094138 /nfs/dbraw/zinc/09/41/38/416094138.db2.gz YRPUZECPVFILIS-LBPRGKRZSA-N 0 0 316.365 0.387 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCN([C@H](C)C(N)=O)CC2)n1 ZINC000301947130 416098250 /nfs/dbraw/zinc/09/82/50/416098250.db2.gz HJSIYLBBAKMPNC-LLVKDONJSA-N 0 0 321.429 0.057 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)ccc2O)C1 ZINC000175240692 416101102 /nfs/dbraw/zinc/10/11/02/416101102.db2.gz CFLJZOSSPZGTMG-SECBINFHSA-N 0 0 302.327 0.295 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CC[C@H](CO)[C@H](O)C1 ZINC000302828514 416101658 /nfs/dbraw/zinc/10/16/58/416101658.db2.gz IUKLMXACDWGRSH-NOZJJQNGSA-N 0 0 307.325 0.957 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CC[C@@H](CO)[C@@H](O)C1 ZINC000302828517 416101876 /nfs/dbraw/zinc/10/18/76/416101876.db2.gz IUKLMXACDWGRSH-ZANVPECISA-N 0 0 307.325 0.957 10 0 DCAERN CNC(=O)[C@H](Nc1nc(C)c(S(N)(=O)=O)s1)C(C)C ZINC000338489013 416104503 /nfs/dbraw/zinc/10/45/03/416104503.db2.gz JKSJKDPJIZQUTB-SSDOTTSWSA-N 0 0 306.413 0.281 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H]3CCCOC3)CCO2)[nH]1 ZINC000178089122 416156027 /nfs/dbraw/zinc/15/60/27/416156027.db2.gz XGRLKQZKYFFCKW-GHMZBOCLSA-N 0 0 309.370 0.629 10 0 DCAERN Cc1nc(NCCc2cn(C)cn2)sc1S(N)(=O)=O ZINC000313465908 416107391 /nfs/dbraw/zinc/10/73/91/416107391.db2.gz DYEYXQMPPDRXEI-UHFFFAOYSA-N 0 0 301.397 0.487 10 0 DCAERN C[C@H]1CN(C(=O)NCC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175735045 416112721 /nfs/dbraw/zinc/11/27/21/416112721.db2.gz CDYOMAVYYWZIQN-ZFWWWQNUSA-N 0 0 311.426 0.775 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC(CO)CC3)C2)cn1 ZINC000175710048 416112883 /nfs/dbraw/zinc/11/28/83/416112883.db2.gz OGDFWVBDLVPQHL-CQSZACIVSA-N 0 0 321.425 0.803 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000175855297 416114865 /nfs/dbraw/zinc/11/48/65/416114865.db2.gz MCMHXCBCMQYUKA-SNVBAGLBSA-N 0 0 309.414 0.745 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000357715399 416119614 /nfs/dbraw/zinc/11/96/14/416119614.db2.gz ZKDKHPKNKWFAEQ-CYBMUJFWSA-N 0 0 306.366 0.824 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000176175117 416120845 /nfs/dbraw/zinc/12/08/45/416120845.db2.gz YUOHIQINJMHIIE-SNVBAGLBSA-N 0 0 324.768 0.620 10 0 DCAERN CCN1CCN(C(=O)Nc2ccn(C)n2)C[C@H]1c1nccn1C ZINC000328617681 416123270 /nfs/dbraw/zinc/12/32/70/416123270.db2.gz CZQNECUCYIBCOX-LBPRGKRZSA-N 0 0 317.397 1.064 10 0 DCAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)Cn1ccccc1=O ZINC000328617635 416123739 /nfs/dbraw/zinc/12/37/39/416123739.db2.gz CYDFZIBIHYELPW-ZDUSSCGKSA-N 0 0 300.362 0.766 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1c1nccc(N[C@H]2CCCOC2)n1 ZINC000328630592 416124535 /nfs/dbraw/zinc/12/45/35/416124535.db2.gz JOUQUFTWSYDVJB-STQMWFEESA-N 0 0 319.409 1.125 10 0 DCAERN O=C1C[C@H](Nc2nccc(N[C@H]3CCCOC3)n2)CN1C1CC1 ZINC000328636649 416124662 /nfs/dbraw/zinc/12/46/62/416124662.db2.gz OEHIVGYAYCLHHX-RYUDHWBXSA-N 0 0 317.393 1.243 10 0 DCAERN CCOc1cccnc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000176377674 416125668 /nfs/dbraw/zinc/12/56/68/416125668.db2.gz DXTOTDYHLKUPQW-UHFFFAOYSA-N 0 0 320.393 0.374 10 0 DCAERN CCOc1cccnc1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000176543516 416128032 /nfs/dbraw/zinc/12/80/32/416128032.db2.gz IEMBCRNQZQICDD-UHFFFAOYSA-N 0 0 314.345 0.773 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@]12CCOC2 ZINC000328708001 416128965 /nfs/dbraw/zinc/12/89/65/416128965.db2.gz MCIJLNKUBYWXTL-FZMZJTMJSA-N 0 0 314.407 0.316 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176604967 416130095 /nfs/dbraw/zinc/13/00/95/416130095.db2.gz QFNKRMXXQFBJOD-GFCCVEGCSA-N 0 0 308.386 0.087 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176606487 416130100 /nfs/dbraw/zinc/13/01/00/416130100.db2.gz DQPHJMADLDYREF-GHMZBOCLSA-N 0 0 306.370 0.279 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357785933 416131897 /nfs/dbraw/zinc/13/18/97/416131897.db2.gz HTKFCBUBCXSAGH-VXGBXAGGSA-N 0 0 312.414 0.553 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCC3CCOCC3)CCO2)[nH]1 ZINC000178037411 416156796 /nfs/dbraw/zinc/15/67/96/416156796.db2.gz APJLSLJGFLITAZ-LBPRGKRZSA-N 0 0 323.397 0.877 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccco3)C2)cn1 ZINC000176774454 416134798 /nfs/dbraw/zinc/13/47/98/416134798.db2.gz NJFOBJUTPDKASF-CYBMUJFWSA-N 0 0 301.302 0.987 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Nc3nnc(C)s3)CCO2)[nH]1 ZINC000176963951 416138267 /nfs/dbraw/zinc/13/82/67/416138267.db2.gz UKLPXVNKPFCTKT-QMMMGPOBSA-N 0 0 309.355 0.878 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177520311 416146768 /nfs/dbraw/zinc/14/67/68/416146768.db2.gz MILIJUJXDQGLDV-GFCCVEGCSA-N 0 0 319.365 0.206 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000177531391 416148450 /nfs/dbraw/zinc/14/84/50/416148450.db2.gz NDZVSGNCLAJSJR-WDEREUQCSA-N 0 0 307.350 0.023 10 0 DCAERN C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177668948 416150089 /nfs/dbraw/zinc/15/00/89/416150089.db2.gz PPWXJKGOXXEJKP-CHWSQXEVSA-N 0 0 319.409 0.753 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H]3CCCOC3)CCO2)[nH]1 ZINC000177978679 416154448 /nfs/dbraw/zinc/15/44/48/416154448.db2.gz CJAHLKHYPHATGE-VXGBXAGGSA-N 0 0 323.397 0.877 10 0 DCAERN Cc1cnoc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000174622653 416081019 /nfs/dbraw/zinc/08/10/19/416081019.db2.gz KTNCLTHKFYETAR-UHFFFAOYSA-N 0 0 307.350 0.694 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000357440017 416081249 /nfs/dbraw/zinc/08/12/49/416081249.db2.gz KYJDJQFBUIUOSY-LBPRGKRZSA-N 0 0 312.391 0.462 10 0 DCAERN Cc1ccnc2nc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3O)nn21 ZINC000178555185 416166527 /nfs/dbraw/zinc/16/65/27/416166527.db2.gz ZRLLZDJEPMGKSU-OLZOCXBDSA-N 0 0 309.329 0.821 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CCC(C)CC1 ZINC000329370185 416167054 /nfs/dbraw/zinc/16/70/54/416167054.db2.gz JRGNKYYYMVCSOD-CQSZACIVSA-N 0 0 319.471 0.664 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(C)C ZINC000178676861 416168939 /nfs/dbraw/zinc/16/89/39/416168939.db2.gz IFZBJUNHMYYQMR-CYBMUJFWSA-N 0 0 318.439 0.621 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(C)C ZINC000178679979 416169061 /nfs/dbraw/zinc/16/90/61/416169061.db2.gz FRVWHFUUYXGMCB-AWEZNQCLSA-N 0 0 305.378 0.823 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000178714354 416170402 /nfs/dbraw/zinc/17/04/02/416170402.db2.gz JHECEBPCXHMYBH-LBPRGKRZSA-N 0 0 312.414 0.267 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178724969 416171325 /nfs/dbraw/zinc/17/13/25/416171325.db2.gz TXDAFAJVZCECSE-YOEHRIQHSA-N 0 0 314.341 0.637 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccccc1Cn1cncn1)C(C)C ZINC000178861312 416173271 /nfs/dbraw/zinc/17/32/71/416173271.db2.gz RLWNQNBETBLJDU-CQSZACIVSA-N 0 0 315.377 0.827 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1F)C(C)C ZINC000178923122 416178162 /nfs/dbraw/zinc/17/81/62/416178162.db2.gz SZKZKFDKFAOBHP-NSHDSACASA-N 0 0 310.329 0.817 10 0 DCAERN O=C(CSc1ccc(O)cc1)NC[C@@H]1CN2CCN1CC2 ZINC000178969365 416179134 /nfs/dbraw/zinc/17/91/34/416179134.db2.gz VNNLAHHVWBZGGK-GFCCVEGCSA-N 0 0 307.419 0.600 10 0 DCAERN O=C(CSc1ccc(O)cc1)NC[C@H]1CN2CCN1CC2 ZINC000178969373 416179187 /nfs/dbraw/zinc/17/91/87/416179187.db2.gz VNNLAHHVWBZGGK-LBPRGKRZSA-N 0 0 307.419 0.600 10 0 DCAERN O=c1nc(CN2C[C@H](O)C[C@@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000179169501 416182350 /nfs/dbraw/zinc/18/23/50/416182350.db2.gz CGNXZEAFTBSPLQ-RKDXNWHRSA-N 0 0 321.402 0.401 10 0 DCAERN CN(C)CCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179212843 416184778 /nfs/dbraw/zinc/18/47/78/416184778.db2.gz ANGOWZXMCKQAGQ-LBPRGKRZSA-N 0 0 311.407 0.766 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)NCCS(C)(=O)=O)CCO2)o1 ZINC000179200472 416185402 /nfs/dbraw/zinc/18/54/02/416185402.db2.gz AKUSOTKOOSLNJF-GFCCVEGCSA-N 0 0 316.379 0.716 10 0 DCAERN COCCCOCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000179677405 416190354 /nfs/dbraw/zinc/19/03/54/416190354.db2.gz WGHUVYYFGIRWFT-GFCCVEGCSA-N 0 0 311.386 0.287 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCN1CC(F)F ZINC000179622253 416190748 /nfs/dbraw/zinc/19/07/48/416190748.db2.gz YVYSLQCYBKIRMU-WDEREUQCSA-N 0 0 320.384 0.834 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCc1cccc(Cl)c1 ZINC000179717119 416192001 /nfs/dbraw/zinc/19/20/01/416192001.db2.gz LTPYVZGZDQTPGS-NSHDSACASA-N 0 0 309.753 0.987 10 0 DCAERN C[C@]1(NC(=O)CCc2cncc(F)c2)CCS(=O)(=O)C1 ZINC000179991837 416194425 /nfs/dbraw/zinc/19/44/25/416194425.db2.gz LLIZZHRVQCQLJX-ZDUSSCGKSA-N 0 0 300.355 0.847 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(C)nc1CC)CC2 ZINC000180253336 416195113 /nfs/dbraw/zinc/19/51/13/416195113.db2.gz HKVBUMDAAQHEHS-JTQLQIEISA-N 0 0 302.382 0.881 10 0 DCAERN CCCCCN(CC(N)=O)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000180522049 416196782 /nfs/dbraw/zinc/19/67/82/416196782.db2.gz IIGFLRMZWAKVTC-LBPRGKRZSA-N 0 0 305.444 0.941 10 0 DCAERN Cn1cnn(CC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1=O ZINC000180850363 416200966 /nfs/dbraw/zinc/20/09/66/416200966.db2.gz ABRMAFOPUJARTC-LBPRGKRZSA-N 0 0 315.377 0.322 10 0 DCAERN O=C(C[C@@H]1CCOc2ccccc21)NCC(=O)N1CCOCC1 ZINC000181049103 416202936 /nfs/dbraw/zinc/20/29/36/416202936.db2.gz CVQVXPYOIIZWBF-ZDUSSCGKSA-N 0 0 318.373 0.918 10 0 DCAERN COCCCOCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000181126259 416205086 /nfs/dbraw/zinc/20/50/86/416205086.db2.gz LPFBNXULGJLKOU-ZIAGYGMSSA-N 0 0 300.399 0.219 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)Cc2cn3ccccc3n2)cn1 ZINC000181328086 416205605 /nfs/dbraw/zinc/20/56/05/416205605.db2.gz SEMMDGFYYGKTKM-HNNXBMFYSA-N 0 0 324.388 0.783 10 0 DCAERN Cc1nc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(=O)[nH]c1C ZINC000181383618 416206576 /nfs/dbraw/zinc/20/65/76/416206576.db2.gz WBLKBXZDOZPMQB-SNVBAGLBSA-N 0 0 302.338 0.872 10 0 DCAERN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)Cn1ncn(C)c1=O ZINC000181436757 416207702 /nfs/dbraw/zinc/20/77/02/416207702.db2.gz HJRHLEKSVNQUAX-JSGCOSHPSA-N 0 0 316.361 0.570 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181410428 416208189 /nfs/dbraw/zinc/20/81/89/416208189.db2.gz VATHIGWABXPZMJ-CYBMUJFWSA-N 0 0 323.397 0.371 10 0 DCAERN Cn1cnn(CC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)c1=O ZINC000182278224 416217024 /nfs/dbraw/zinc/21/70/24/416217024.db2.gz GMBQBLCSURYDPN-GXTWGEPZSA-N 0 0 302.334 0.228 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182380342 416221319 /nfs/dbraw/zinc/22/13/19/416221319.db2.gz UDJWESMPNDYOCI-QMMMGPOBSA-N 0 0 304.272 0.796 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)c1cccc(F)c1 ZINC000330643270 416221800 /nfs/dbraw/zinc/22/18/00/416221800.db2.gz RURZPYVSVWEAJW-CHWSQXEVSA-N 0 0 312.366 0.897 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H](CO)C3CC3)no2)c1 ZINC000358294681 416221971 /nfs/dbraw/zinc/22/19/71/416221971.db2.gz BKQYUEHSUIYWPJ-LBPRGKRZSA-N 0 0 304.350 0.976 10 0 DCAERN COc1n[nH]c(NC(=O)c2cc(Cl)ccc2-n2cnnn2)n1 ZINC000182988454 416234950 /nfs/dbraw/zinc/23/49/50/416234950.db2.gz PNTJYXFXHYTOPM-UHFFFAOYSA-N 0 0 320.700 0.695 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)C[S@](C)=O)no2)c1 ZINC000182775625 416230942 /nfs/dbraw/zinc/23/09/42/416230942.db2.gz KUHHEUDUAKMZQN-CWKPULSASA-N 0 0 310.379 0.725 10 0 DCAERN O=C(C1=CCCCO1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178232562 416159293 /nfs/dbraw/zinc/15/92/93/416159293.db2.gz ZWQZHCLRLYLUDD-GFCCVEGCSA-N 0 0 314.407 0.707 10 0 DCAERN O=S(=O)(CC1CCCC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000178344652 416163247 /nfs/dbraw/zinc/16/32/47/416163247.db2.gz VCSVCNUAGJZUBP-AWEZNQCLSA-N 0 0 302.440 0.959 10 0 DCAERN CC[C@](C)(CO)NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000183347288 416240060 /nfs/dbraw/zinc/24/00/60/416240060.db2.gz AORFCEAUGMUSFA-MRXNPFEDSA-N 0 0 322.409 0.979 10 0 DCAERN O=C(CNC(=O)NC[C@H]1C[C@@H]1c1ccccc1)N1CCOCC1 ZINC000183575289 416246107 /nfs/dbraw/zinc/24/61/07/416246107.db2.gz OXCXQAODLVCTBP-HUUCEWRRSA-N 0 0 317.389 0.948 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)N(C)Cc1noc(C)n1 ZINC000358510413 416246451 /nfs/dbraw/zinc/24/64/51/416246451.db2.gz RHXWSQJDSZHWPJ-SNVBAGLBSA-N 0 0 314.411 0.984 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)C[C@@H](C)O1 ZINC000185024591 416251786 /nfs/dbraw/zinc/25/17/86/416251786.db2.gz BPMOHXXPFGNOCV-YGRLFVJLSA-N 0 0 320.349 0.837 10 0 DCAERN CC(C)C[C@H](C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000184690589 416252771 /nfs/dbraw/zinc/25/27/71/416252771.db2.gz MQJOZLLYSQLJQN-NWDGAFQWSA-N 0 0 318.439 0.430 10 0 DCAERN C[C@@]1(O)CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000185798136 416253750 /nfs/dbraw/zinc/25/37/50/416253750.db2.gz VKYASVGFIZIXEW-XJKSGUPXSA-N 0 0 318.377 0.743 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000185789946 416253868 /nfs/dbraw/zinc/25/38/68/416253868.db2.gz FVVQHJSLHJVKDD-ZDUSSCGKSA-N 0 0 303.362 0.430 10 0 DCAERN Cc1c[nH]cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1=O ZINC000358595934 416259515 /nfs/dbraw/zinc/25/95/15/416259515.db2.gz WPVOGRWZDYXRRF-ZDUSSCGKSA-N 0 0 319.361 0.193 10 0 DCAERN C[C@H]1CN=C(N2CCN(C(=O)CCc3ccnn3C)CC2)S1 ZINC000187233454 416259894 /nfs/dbraw/zinc/25/98/94/416259894.db2.gz LPNWERNRUYUEEF-LBPRGKRZSA-N 0 0 321.450 0.988 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)Cc1cc[nH]n1 ZINC000331086274 416262545 /nfs/dbraw/zinc/26/25/45/416262545.db2.gz CYUOMHCOTCBZQG-WDEREUQCSA-N 0 0 301.368 0.513 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CC[C@H](N2CCOCC2)C1 ZINC000188042076 416262955 /nfs/dbraw/zinc/26/29/55/416262955.db2.gz ODOAOZRABYXHPR-XQLPTFJDSA-N 0 0 309.410 0.670 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCN1CCO ZINC000188804917 416264741 /nfs/dbraw/zinc/26/47/41/416264741.db2.gz ILPACUGCPYDZAR-UKRRQHHQSA-N 0 0 323.437 0.160 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189416816 416267113 /nfs/dbraw/zinc/26/71/13/416267113.db2.gz CEDMTLNWCFKVIJ-OAQYLSRUSA-N 0 0 306.387 0.775 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)Nc1ccccc1F ZINC000189596039 416268021 /nfs/dbraw/zinc/26/80/21/416268021.db2.gz PEWRRMZPYWUTFQ-TZMCWYRMSA-N 0 0 310.325 0.763 10 0 DCAERN O=C(NCCn1c(=O)oc2ccccc21)NC[C@H](CO)C1CC1 ZINC000358690653 416269943 /nfs/dbraw/zinc/26/99/43/416269943.db2.gz QHFAMVCDXHIQLD-GFCCVEGCSA-N 0 0 319.361 0.912 10 0 DCAERN CC(=O)NC1CCC(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000358807576 416276564 /nfs/dbraw/zinc/27/65/64/416276564.db2.gz ZTNDKLRSGJOIDO-QGLTVNCISA-N 0 0 324.425 0.696 10 0 DCAERN COCC1(CNC(=O)N(C)Cc2nnnn2C)CCCCC1 ZINC000358421075 416235183 /nfs/dbraw/zinc/23/51/83/416235183.db2.gz CTGHOIAKYNRERL-UHFFFAOYSA-N 0 0 310.402 0.948 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000183146775 416236484 /nfs/dbraw/zinc/23/64/84/416236484.db2.gz UALLCSHRMAFBGG-QWHCGFSZSA-N 0 0 323.397 0.564 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CCC(=O)N1 ZINC000192206735 416302196 /nfs/dbraw/zinc/30/21/96/416302196.db2.gz GDGNQHSTAZLDQW-STQMWFEESA-N 0 0 319.336 0.321 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000192550057 416308661 /nfs/dbraw/zinc/30/86/61/416308661.db2.gz HJMKFZZUPNULDD-AAEUAGOBSA-N 0 0 318.439 0.495 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000193488443 416317043 /nfs/dbraw/zinc/31/70/43/416317043.db2.gz DIKBVQMASYWQCZ-LBPRGKRZSA-N 0 0 317.267 0.854 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCc1cc(F)ccc1F ZINC000193991205 416320773 /nfs/dbraw/zinc/32/07/73/416320773.db2.gz JOVDZSXNVRPAQO-VIFPVBQESA-N 0 0 320.361 0.903 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000190515905 416280021 /nfs/dbraw/zinc/28/00/21/416280021.db2.gz PXFLEQFNZPOJQT-UHFFFAOYSA-N 0 0 305.309 0.671 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000190738417 416281616 /nfs/dbraw/zinc/28/16/16/416281616.db2.gz NQKLZMQHWYEKDY-IUCAKERBSA-N 0 0 324.406 0.756 10 0 DCAERN CC1(C)CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C(F)(F)F ZINC000190649399 416281781 /nfs/dbraw/zinc/28/17/81/416281781.db2.gz BJJNWTSMCHXPBM-MRVPVSSYSA-N 0 0 321.299 0.975 10 0 DCAERN COc1ccccc1COC[C@@H](O)CN1CC(NC(C)=O)C1 ZINC000191731306 416287845 /nfs/dbraw/zinc/28/78/45/416287845.db2.gz RQQDAHPCTQYNJT-HNNXBMFYSA-N 0 0 308.378 0.393 10 0 DCAERN CN[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cnn(C)c1 ZINC000262275941 416336363 /nfs/dbraw/zinc/33/63/63/416336363.db2.gz WJHNQLWGUHRVQM-CQSZACIVSA-N 0 0 315.333 0.650 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)c1 ZINC000359379662 416344587 /nfs/dbraw/zinc/34/45/87/416344587.db2.gz BECHRENZAWLSDU-YGRLFVJLSA-N 0 0 319.361 0.447 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000194345669 416323048 /nfs/dbraw/zinc/32/30/48/416323048.db2.gz XOYXJJDAZUXCFV-OPRDCNLKSA-N 0 0 308.300 0.938 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@@H]1COCCN1CC(F)(F)F ZINC000359778798 416357968 /nfs/dbraw/zinc/35/79/68/416357968.db2.gz RIPBOKWPQVNHBE-QWRGUYRKSA-N 0 0 310.316 0.384 10 0 DCAERN Cn1cc(NC(=O)NCC(C)(C)N2CCOCC2)ccc1=O ZINC000194732484 416324066 /nfs/dbraw/zinc/32/40/66/416324066.db2.gz QIPTWDCSIAABTI-UHFFFAOYSA-N 0 0 308.382 0.618 10 0 DCAERN C[C@@H](CN1CCC(C)(C)S(=O)(=O)CC1)CS(C)(=O)=O ZINC000194973540 416325104 /nfs/dbraw/zinc/32/51/04/416325104.db2.gz UZKSRBPUDYNGTG-NSHDSACASA-N 0 0 311.469 0.566 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178925 416325516 /nfs/dbraw/zinc/32/55/16/416325516.db2.gz HDAMRUSZHSJFIK-NSHDSACASA-N 0 0 319.413 0.714 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000195150503 416325558 /nfs/dbraw/zinc/32/55/58/416325558.db2.gz FTZCIGDGSKRCKE-ABAIWWIYSA-N 0 0 317.389 0.674 10 0 DCAERN Cc1csc2c1ncn(C[C@@H](O)CN1CCOCC1)c2=O ZINC000195253114 416325875 /nfs/dbraw/zinc/32/58/75/416325875.db2.gz XSDXLMXPQHSDJD-NSHDSACASA-N 0 0 309.391 0.460 10 0 DCAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237958688 416329324 /nfs/dbraw/zinc/32/93/24/416329324.db2.gz UPDHXLBGTAMDDN-HNNXBMFYSA-N 0 0 317.389 0.350 10 0 DCAERN CCc1cnc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)s1 ZINC000360098009 416369861 /nfs/dbraw/zinc/36/98/61/416369861.db2.gz LYWBKVMXRBUPPS-UWVGGRQHSA-N 0 0 311.407 0.551 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)N1CCCC1 ZINC000360851245 416414763 /nfs/dbraw/zinc/41/47/63/416414763.db2.gz DYGIFIBGLRTCEE-LBPRGKRZSA-N 0 0 323.315 0.708 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000360183040 416377797 /nfs/dbraw/zinc/37/77/97/416377797.db2.gz ZAVNUMXLJFNISN-HWPZZCPQSA-N 0 0 323.393 0.678 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000360205848 416379626 /nfs/dbraw/zinc/37/96/26/416379626.db2.gz FSCTZCYWKOKELU-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN CN1CN(CC(=O)NCCOc2cccc(Cl)c2)CC1=O ZINC000360502566 416393935 /nfs/dbraw/zinc/39/39/35/416393935.db2.gz FJDNGMZGHDPLRS-UHFFFAOYSA-N 0 0 311.769 0.567 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360702160 416405065 /nfs/dbraw/zinc/40/50/65/416405065.db2.gz SNKDVDNXPKZAIQ-LLVKDONJSA-N 0 0 302.338 0.515 10 0 DCAERN C[C@]1(C(N)=O)CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360716992 416405547 /nfs/dbraw/zinc/40/55/47/416405547.db2.gz XVQXAVPAFDCDOX-HNNXBMFYSA-N 0 0 301.350 0.970 10 0 DCAERN CC(C)NC(=O)CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000360821672 416412133 /nfs/dbraw/zinc/41/21/33/416412133.db2.gz MORBJKMPRIMXJI-LLVKDONJSA-N 0 0 311.304 0.610 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@H]2CCOC[C@H]2OC)n1 ZINC000458499944 416473486 /nfs/dbraw/zinc/47/34/86/416473486.db2.gz CEXCJEAOBCBKQQ-TZMCWYRMSA-N 0 0 323.393 0.983 10 0 DCAERN O=S(=O)(c1ccco1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616344 416478524 /nfs/dbraw/zinc/47/85/24/416478524.db2.gz HUXAWUWWGUFSGG-TUAOUCFPSA-N 0 0 301.364 0.830 10 0 DCAERN CC(C)n1cc([C@@]2(O)CCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000583616429 416478660 /nfs/dbraw/zinc/47/86/60/416478660.db2.gz PWKHKDCLLKNKDQ-GFCCVEGCSA-N 0 0 300.384 0.245 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@@H](c3nncn3CC)C2)n1 ZINC000583622065 416480509 /nfs/dbraw/zinc/48/05/09/416480509.db2.gz JGBRSOGSGCFYAG-GFCCVEGCSA-N 0 0 318.381 0.930 10 0 DCAERN O=C(CCc1cccc(C(F)(F)F)c1)NCC(=O)NCCO ZINC000361726513 416485457 /nfs/dbraw/zinc/48/54/57/416485457.db2.gz PZXOWTAQIDATSB-UHFFFAOYSA-N 0 0 318.295 0.863 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434673262 416489505 /nfs/dbraw/zinc/48/95/05/416489505.db2.gz PXBNPHRPZXEAGS-UHFFFAOYSA-N 0 0 322.365 0.697 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1C ZINC000361169003 416424112 /nfs/dbraw/zinc/42/41/12/416424112.db2.gz GTAXRDUJIPMLNI-UHFFFAOYSA-N 0 0 303.318 0.394 10 0 DCAERN COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H](O)C(F)F ZINC000435595070 416525078 /nfs/dbraw/zinc/52/50/78/416525078.db2.gz BBRQOMKIXPNBOG-VIFPVBQESA-N 0 0 324.305 0.159 10 0 DCAERN NS(=O)(=O)c1cnc(NCc2cn3c(n2)CCCC3)s1 ZINC000588897786 416525297 /nfs/dbraw/zinc/52/52/97/416525297.db2.gz KTQRMQMAUBSSAM-UHFFFAOYSA-N 0 0 313.408 0.935 10 0 DCAERN C[C@H](CN1CCOCC1)C(=O)N1CCSC[C@@H]1CCO ZINC000535797421 416532076 /nfs/dbraw/zinc/53/20/76/416532076.db2.gz DOGYKEQHKWAHTM-OLZOCXBDSA-N 0 0 302.440 0.281 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)c1cn(C)c2ccc(F)cc12 ZINC000435800527 416537605 /nfs/dbraw/zinc/53/76/05/416537605.db2.gz SNNDKTOVEBORQP-GFCCVEGCSA-N 0 0 308.309 0.971 10 0 DCAERN NC(=O)N[C@@H](CC(=O)N1CC[C@H](NC(N)=O)C1)c1ccccc1 ZINC000536525423 416541236 /nfs/dbraw/zinc/54/12/36/416541236.db2.gz IRIBWHRMIQQWCG-RYUDHWBXSA-N 0 0 319.365 0.055 10 0 DCAERN COC(=O)[C@](C)(NC[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000536605961 416545810 /nfs/dbraw/zinc/54/58/10/416545810.db2.gz VDSOXJQLJXQAQN-VNHYZAJKSA-N 0 0 301.383 0.474 10 0 DCAERN C[S@@](=O)c1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000436054828 416546339 /nfs/dbraw/zinc/54/63/39/416546339.db2.gz AGCKWZUQSHKSPE-OAQYLSRUSA-N 0 0 304.375 0.642 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCSC[C@@H]2CCO)C1 ZINC000536647883 416547234 /nfs/dbraw/zinc/54/72/34/416547234.db2.gz LLVQTWVVSQSMOD-QWRGUYRKSA-N 0 0 301.412 0.104 10 0 DCAERN CC(C)CCn1ccc(NC(=O)N(C)Cc2nnnn2C)n1 ZINC000361776201 416494465 /nfs/dbraw/zinc/49/44/65/416494465.db2.gz ZXWYTVMNGQHFMX-UHFFFAOYSA-N 0 0 306.374 1.117 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N(C)CC(N)=O)sc2C1 ZINC000434945672 416504938 /nfs/dbraw/zinc/50/49/38/416504938.db2.gz FAFORBQRMNCLNL-ZETCQYMHSA-N 0 0 310.379 0.150 10 0 DCAERN Cc1nc(CN(C)C(=O)Cc2ccc(-n3cnnn3)cc2)no1 ZINC000540843156 416593569 /nfs/dbraw/zinc/59/35/69/416593569.db2.gz IEALHFDFMNCJKZ-UHFFFAOYSA-N 0 0 313.321 0.555 10 0 DCAERN CCCc1nnc(NC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000364855889 416594421 /nfs/dbraw/zinc/59/44/21/416594421.db2.gz NPBLWLVVSHVIDC-JTQLQIEISA-N 0 0 311.411 1.039 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439045828 416606013 /nfs/dbraw/zinc/60/60/13/416606013.db2.gz YRBLHKWARWCDNP-SCZZXKLOSA-N 0 0 316.361 0.326 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C1=O ZINC000541507253 416609085 /nfs/dbraw/zinc/60/90/85/416609085.db2.gz UCAULPJAGSTRFS-SECBINFHSA-N 0 0 322.369 0.691 10 0 DCAERN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cn2cccnc2n1 ZINC000538934369 416576223 /nfs/dbraw/zinc/57/62/23/416576223.db2.gz QWFCVJKSCIHQHX-ABAIWWIYSA-N 0 0 302.334 0.797 10 0 DCAERN COC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 ZINC000437386639 416583917 /nfs/dbraw/zinc/58/39/17/416583917.db2.gz NULZULVTAHFCDL-LBPRGKRZSA-N 0 0 321.308 0.592 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000364298815 416584721 /nfs/dbraw/zinc/58/47/21/416584721.db2.gz ZNQBALBQJSTDMW-PWSUYJOCSA-N 0 0 306.366 0.382 10 0 DCAERN C[S@@](=O)C1(CNC(=O)NCc2nnc3ccccn32)CCC1 ZINC000437625458 416586326 /nfs/dbraw/zinc/58/63/26/416586326.db2.gz LGWMVHPNDXSJMK-JOCHJYFZSA-N 0 0 321.406 0.830 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC=C(C)C1 ZINC000437861008 416588402 /nfs/dbraw/zinc/58/84/02/416588402.db2.gz IIAHRHVZTICFKS-RYUDHWBXSA-N 0 0 311.382 0.804 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)NC[C@H](O)C(F)(F)F ZINC000441687398 416680175 /nfs/dbraw/zinc/68/01/75/416680175.db2.gz LPWDBQHPHNMENM-HLTSFMKQSA-N 0 0 300.277 0.403 10 0 DCAERN CC(C)[C@H](CNC(=O)c1cccc2ncnn21)N1CCOCC1 ZINC000542477638 416624463 /nfs/dbraw/zinc/62/44/63/416624463.db2.gz GMOYUZKCVREIBB-AWEZNQCLSA-N 0 0 317.393 0.816 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC(=O)N1C ZINC000367114075 416640401 /nfs/dbraw/zinc/64/04/01/416640401.db2.gz PTNGWZFYUJFCBS-IWSPIJDZSA-N 0 0 321.299 0.133 10 0 DCAERN CNc1ncc(C(=O)NC2CCN(c3nccn3C)CC2)s1 ZINC000367344351 416643219 /nfs/dbraw/zinc/64/32/19/416643219.db2.gz XAYUKWKOVHOYKP-UHFFFAOYSA-N 0 0 320.422 1.317 10 0 DCAERN COC[C@@H](O)CNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000607415205 416646303 /nfs/dbraw/zinc/64/63/03/416646303.db2.gz ILZJAZHRAHCMQO-NSHDSACASA-N 0 0 323.328 0.417 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc2ncnn21 ZINC000543848597 416650739 /nfs/dbraw/zinc/65/07/39/416650739.db2.gz HGFWUNAPFNTEEL-LLVKDONJSA-N 0 0 319.390 0.723 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000544672319 416659055 /nfs/dbraw/zinc/65/90/55/416659055.db2.gz YQZAYTBKKHTQHT-RYUDHWBXSA-N 0 0 305.396 0.911 10 0 DCAERN CNC(=O)Cc1noc(CN2C[C@@H](OC)Cc3ccccc32)n1 ZINC000368529014 416664813 /nfs/dbraw/zinc/66/48/13/416664813.db2.gz XDMLUEGQKSDENE-LBPRGKRZSA-N 0 0 316.361 0.936 10 0 DCAERN COc1cccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000368540417 416667513 /nfs/dbraw/zinc/66/75/13/416667513.db2.gz VQWAMIZCAFEDBZ-CQSZACIVSA-N 0 0 305.378 0.960 10 0 DCAERN O=C(NCCc1ccc(F)cc1)N[C@@H]1CCCN(CCO)C1=O ZINC000545312915 416672226 /nfs/dbraw/zinc/67/22/26/416672226.db2.gz RWRYZODAQLKPMC-CQSZACIVSA-N 0 0 323.368 0.651 10 0 DCAERN O=C(NCC[C@H]1CCCCO1)C(=O)N1CCOCC2(CC2)C1 ZINC000516801778 416746286 /nfs/dbraw/zinc/74/62/86/416746286.db2.gz YYRAIUCNIYCBIZ-CYBMUJFWSA-N 0 0 310.394 0.701 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000443354108 416752916 /nfs/dbraw/zinc/75/29/16/416752916.db2.gz SQEXEGQBBXGXQO-UHFFFAOYSA-N 0 0 321.312 0.186 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000368698042 416686420 /nfs/dbraw/zinc/68/64/20/416686420.db2.gz HEQJTXVIQCABME-GFCCVEGCSA-N 0 0 312.391 0.400 10 0 DCAERN COc1cccc(CCNC(=O)NCC2([S@](C)=O)CC2)n1 ZINC000442106980 416686496 /nfs/dbraw/zinc/68/64/96/416686496.db2.gz CWTYNIHWNYOGMM-NRFANRHFSA-N 0 0 311.407 0.843 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)no1 ZINC000442119022 416687672 /nfs/dbraw/zinc/68/76/72/416687672.db2.gz BPNLZKKBUAEMNL-SECBINFHSA-N 0 0 309.370 0.787 10 0 DCAERN C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCN1C ZINC000442292215 416691239 /nfs/dbraw/zinc/69/12/39/416691239.db2.gz FBJJUZNJYCFMCQ-VXGBXAGGSA-N 0 0 319.409 0.637 10 0 DCAERN O=C(NCCc1ccc(O)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000368821636 416696122 /nfs/dbraw/zinc/69/61/22/416696122.db2.gz CHYNENCNKLTART-AWEZNQCLSA-N 0 0 305.378 0.661 10 0 DCAERN COc1cccc(C[C@@H](O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000442683271 416704848 /nfs/dbraw/zinc/70/48/48/416704848.db2.gz VFMOIFILAUGQAN-BLLLJJGKSA-N 0 0 320.389 0.678 10 0 DCAERN COc1cccc(C[C@H](O)C(=O)N2CC(n3ccnn3)C2)c1 ZINC000442801469 416713050 /nfs/dbraw/zinc/71/30/50/416713050.db2.gz MURHAECZDOWICH-AWEZNQCLSA-N 0 0 302.334 0.274 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000369115882 416726573 /nfs/dbraw/zinc/72/65/73/416726573.db2.gz KBWDMSMTDBXGJI-JRPNMDOOSA-N 0 0 311.382 0.448 10 0 DCAERN COc1ccc2c(c1)[C@](O)(CNC(=O)c1cnnn1C)CCC2 ZINC000369195323 416732545 /nfs/dbraw/zinc/73/25/45/416732545.db2.gz AARASLYWEVNUBO-MRXNPFEDSA-N 0 0 316.361 0.778 10 0 DCAERN CC[C@]1(C)CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000443647069 416773727 /nfs/dbraw/zinc/77/37/27/416773727.db2.gz BZNDMCXIVREWGB-OAHLLOKOSA-N 0 0 323.397 0.999 10 0 DCAERN Cn1cc(OCC(=O)N2CCNC(=O)[C@H]2c2cccs2)cn1 ZINC000558595482 416780622 /nfs/dbraw/zinc/78/06/22/416780622.db2.gz XVPLJXHEJCEGDK-CYBMUJFWSA-N 0 0 320.374 0.560 10 0 DCAERN CCC(CC)(CNC(=O)N(C)Cc1nnnn1C)C(=O)OC ZINC000443870493 416789262 /nfs/dbraw/zinc/78/92/62/416789262.db2.gz SLCSANDJDMXAJM-UHFFFAOYSA-N 0 0 312.374 0.331 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@@](C)(O)CC2)CC1=O ZINC000369623892 416804914 /nfs/dbraw/zinc/80/49/14/416804914.db2.gz UZNZIHVDQGPENP-LMOYCYGVSA-N 0 0 309.410 0.942 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000369746783 416825024 /nfs/dbraw/zinc/82/50/24/416825024.db2.gz YTFBXDHCPWHJFB-CYBMUJFWSA-N 0 0 316.427 0.770 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000615547354 416859259 /nfs/dbraw/zinc/85/92/59/416859259.db2.gz ZEXFZASGWNSJJI-KVSVUVNWSA-N 0 0 317.407 0.767 10 0 DCAERN COCc1noc(CN2CCN([C@@H](C(=O)OC)C3CC3)CC2)n1 ZINC000444735864 416863699 /nfs/dbraw/zinc/86/36/99/416863699.db2.gz OFVPXKPBXAAUMJ-CQSZACIVSA-N 0 0 324.381 0.285 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121635 416887860 /nfs/dbraw/zinc/88/78/60/416887860.db2.gz LMGCUOXMRQLHLF-CJNGLKHVSA-N 0 0 309.410 0.226 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000623558818 416843286 /nfs/dbraw/zinc/84/32/86/416843286.db2.gz JSXAJPJGUHVBDG-HOTUBEGUSA-N 0 0 309.370 0.074 10 0 DCAERN Cn1ccnc1[C@H]1CN(c2cc(=O)n3ccccc3n2)CCN1C ZINC000373679908 416961331 /nfs/dbraw/zinc/96/13/31/416961331.db2.gz HOIOLTAFMPXKFN-CYBMUJFWSA-N 0 0 324.388 0.921 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC12CCC2 ZINC000445934818 416905983 /nfs/dbraw/zinc/90/59/83/416905983.db2.gz NXWOQQRRVQXQOS-SNVBAGLBSA-N 0 0 312.395 0.242 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000446071094 416912721 /nfs/dbraw/zinc/91/27/21/416912721.db2.gz OJLNCAJVHJZTBD-YNEHKIRRSA-N 0 0 311.426 0.611 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O ZINC000615939403 416939003 /nfs/dbraw/zinc/93/90/03/416939003.db2.gz WAGTWIAHEDNGSI-VNKGSWCUSA-N 0 0 301.412 0.683 10 0 DCAERN OC[C@@H]1C[C@@H](O)CN1c1nccc(N2Cc3ccccc3C2)n1 ZINC000624070110 416949766 /nfs/dbraw/zinc/94/97/66/416949766.db2.gz BSBWYXNLHXOZJT-LSDHHAIUSA-N 0 0 312.373 0.929 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N[C@@H](C)CCCO)c1 ZINC000446822803 416952905 /nfs/dbraw/zinc/95/29/05/416952905.db2.gz GXTUBDBPSMPIEE-JTQLQIEISA-N 0 0 315.395 0.877 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCOC2(CCOCC2)CC1 ZINC000375232541 416995956 /nfs/dbraw/zinc/99/59/56/416995956.db2.gz BWPWPUPAVWABFY-CYBMUJFWSA-N 0 0 318.439 0.987 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@H](O)COC[C@H]1CCCO1 ZINC000522224172 417057332 /nfs/dbraw/zinc/05/73/32/417057332.db2.gz WNFYSOFIMFPLIC-MELADBBJSA-N 0 0 323.455 0.298 10 0 DCAERN CO[C@@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@H](OC)[C@@H]1OC ZINC000616586668 417079969 /nfs/dbraw/zinc/07/99/69/417079969.db2.gz APZUEGZIJXFXRZ-QCODTGAPSA-N 0 0 312.362 0.965 10 0 DCAERN CCO[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616588246 417079993 /nfs/dbraw/zinc/07/99/93/417079993.db2.gz GQTBRWLGBGQJQH-QOVSZDDPSA-N 0 0 318.322 0.563 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCOC[C@H]1c1cn[nH]n1 ZINC000616599578 417083350 /nfs/dbraw/zinc/08/33/50/417083350.db2.gz WYLMWMLTPWSIBQ-ZDUSSCGKSA-N 0 0 308.363 0.957 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](n2ccc(N)n2)C1 ZINC000616647612 417087415 /nfs/dbraw/zinc/08/74/15/417087415.db2.gz WQFWTTPIWBSCNX-GFCCVEGCSA-N 0 0 311.386 0.821 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616646976 417087883 /nfs/dbraw/zinc/08/78/83/417087883.db2.gz HLXAOUNKRIWFRW-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(=O)Nc1ccccc1[C@@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616651506 417087931 /nfs/dbraw/zinc/08/79/31/417087931.db2.gz VCICTSFWSAGXGK-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN Nc1ccc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)cn1 ZINC000616682179 417093681 /nfs/dbraw/zinc/09/36/81/417093681.db2.gz FLNJUPHBEPTKHD-LBPRGKRZSA-N 0 0 305.363 0.841 10 0 DCAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1noc2c1CCCC2 ZINC000616770130 417107186 /nfs/dbraw/zinc/10/71/86/417107186.db2.gz VEMLVIKMDNVSJC-MISXGVKJSA-N 0 0 302.334 0.854 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC[C@]2(O)CCOC2)C1 ZINC000404190274 417119281 /nfs/dbraw/zinc/11/92/81/417119281.db2.gz FFHZVWDEKGJQKH-XQQFMLRXSA-N 0 0 306.428 0.340 10 0 DCAERN Cn1cc(CNC(=O)c2nscc2Br)nn1 ZINC000404901391 417119706 /nfs/dbraw/zinc/11/97/06/417119706.db2.gz QFIBGDHXMMHLND-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2occc2Br)C1 ZINC000431398812 417120915 /nfs/dbraw/zinc/12/09/15/417120915.db2.gz GOPZWBOIPQMQQH-SNVBAGLBSA-N 0 0 303.112 0.104 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408027254 417131571 /nfs/dbraw/zinc/13/15/71/417131571.db2.gz MJMUPRGMQRNAMJ-MROQNXINSA-N 0 0 322.427 0.076 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000408082017 417139843 /nfs/dbraw/zinc/13/98/43/417139843.db2.gz VGWWNNMOQQSFCI-GFCCVEGCSA-N 0 0 305.382 0.089 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408075260 417141243 /nfs/dbraw/zinc/14/12/43/417141243.db2.gz XMOXVHGKRJKPGD-JQWIXIFHSA-N 0 0 302.396 0.033 10 0 DCAERN CC(C)(C)[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408264674 417151192 /nfs/dbraw/zinc/15/11/92/417151192.db2.gz GMTDGXNAWZEDPC-JTQLQIEISA-N 0 0 311.382 0.590 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)C(=O)Nc2nccc(N(C)C)n2)C1 ZINC000432400604 417177409 /nfs/dbraw/zinc/17/74/09/417177409.db2.gz KASVZGDMNDGQEX-LBPRGKRZSA-N 0 0 320.397 0.875 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2cc(C(F)(F)F)n[nH]2)nn1 ZINC000450130450 417200193 /nfs/dbraw/zinc/20/01/93/417200193.db2.gz AZMYJEVVBGYSPF-UHFFFAOYSA-N 0 0 302.216 0.861 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(F)c2)C1 ZINC000450123175 417200613 /nfs/dbraw/zinc/20/06/13/417200613.db2.gz VSJLANMSJOWLTF-NSHDSACASA-N 0 0 309.341 0.994 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000527213629 417221791 /nfs/dbraw/zinc/22/17/91/417221791.db2.gz KZHUSOYXSQSWBP-SDDRHHMPSA-N 0 0 322.427 0.519 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)nn1 ZINC000450424429 417224745 /nfs/dbraw/zinc/22/47/45/417224745.db2.gz KSGINAUUQCUZIM-DGCLKSJQSA-N 0 0 308.382 0.736 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408457570 417163611 /nfs/dbraw/zinc/16/36/11/417163611.db2.gz POOOILCXJXBXDT-HZSPNIEDSA-N 0 0 320.455 0.536 10 0 DCAERN CCOCC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000620724489 417269077 /nfs/dbraw/zinc/26/90/77/417269077.db2.gz NKHOQCSVDIJRQS-INIZCTEOSA-N 0 0 305.422 0.955 10 0 DCAERN Cc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3C(N)=O)c21 ZINC000091784627 292589098 /nfs/dbraw/zinc/58/90/98/292589098.db2.gz JLNCVMXSRSUYIE-ZDUSSCGKSA-N 0 0 301.346 0.732 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccc3nc(C)nn3n2)CC12COC2 ZINC000450570562 417239739 /nfs/dbraw/zinc/23/97/39/417239739.db2.gz PHKHJOWNAHUSES-NSHDSACASA-N 0 0 317.349 0.449 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccnc(N(C)C)n2)CC12COC2 ZINC000450572459 417240297 /nfs/dbraw/zinc/24/02/97/417240297.db2.gz UBUHGSHUOKBUNF-NSHDSACASA-N 0 0 306.366 0.559 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2sccc2Cl)[C@@H]1C(N)=O ZINC000451532685 417356718 /nfs/dbraw/zinc/35/67/18/417356718.db2.gz LQPOPESRNXWSAZ-SVRRBLITSA-N 0 0 324.811 0.665 10 0 DCAERN CCCn1ncnc1CN1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451131641 417302856 /nfs/dbraw/zinc/30/28/56/417302856.db2.gz HMMUWGJNDYBVEW-LBPRGKRZSA-N 0 0 308.382 0.700 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132846 417303989 /nfs/dbraw/zinc/30/39/89/417303989.db2.gz JETOGCNGLYMDLZ-NSHDSACASA-N 0 0 309.318 0.357 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@H](C)C(=O)NCC(C)C)CC12COC2 ZINC000451144076 417306219 /nfs/dbraw/zinc/30/62/19/417306219.db2.gz XOUQYUBWNOXOCC-OLZOCXBDSA-N 0 0 312.410 0.659 10 0 DCAERN CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000451912880 417416168 /nfs/dbraw/zinc/41/61/68/417416168.db2.gz ADIXGVNIALPOCK-UHFFFAOYSA-N 0 0 321.395 0.942 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000633434496 417427488 /nfs/dbraw/zinc/42/74/88/417427488.db2.gz NTZAEJKRZAMAMO-UKRRQHHQSA-N 0 0 317.345 0.861 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CCCCF)CC12COC2 ZINC000451620412 417365297 /nfs/dbraw/zinc/36/52/97/417365297.db2.gz OHHLJKHPAAIQCI-LLVKDONJSA-N 0 0 323.386 0.577 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451672987 417380126 /nfs/dbraw/zinc/38/01/26/417380126.db2.gz RGLOWIVQWIQIQQ-LLVKDONJSA-N 0 0 317.389 0.970 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000571235115 417439339 /nfs/dbraw/zinc/43/93/39/417439339.db2.gz KNJAGAIGNPKUPZ-AAEUAGOBSA-N 0 0 316.361 0.940 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NCCn2cnccc2=O)c1 ZINC000633560112 417452694 /nfs/dbraw/zinc/45/26/94/417452694.db2.gz FJEYMDLPNZVHAN-UHFFFAOYSA-N 0 0 315.329 0.641 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000633582048 417458487 /nfs/dbraw/zinc/45/84/87/417458487.db2.gz PIVTVSZQNYFFMO-KGLIPLIRSA-N 0 0 306.366 0.331 10 0 DCAERN CN(C)C(=O)NCCN(C)c1nccc(N[C@H]2CCCOC2)n1 ZINC000572493459 417460296 /nfs/dbraw/zinc/46/02/96/417460296.db2.gz JCMQZNKSTFXDBM-LBPRGKRZSA-N 0 0 322.413 0.775 10 0 DCAERN CCc1nnc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)[nH]1 ZINC000452179967 417461033 /nfs/dbraw/zinc/46/10/33/417461033.db2.gz AAJZSNRYLGPUJT-SNVBAGLBSA-N 0 0 301.350 0.802 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCCn3nccc32)[C@@H](C)C1 ZINC000633599117 417461476 /nfs/dbraw/zinc/46/14/76/417461476.db2.gz CFJAUWOHSSFBJL-AAEUAGOBSA-N 0 0 305.382 0.980 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCO[C@H](C)C2)CC12COC2 ZINC000452269902 417464244 /nfs/dbraw/zinc/46/42/44/417464244.db2.gz YHVDZJADMAEXGX-AGIUHOORSA-N 0 0 311.378 0.840 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000623042669 417532759 /nfs/dbraw/zinc/53/27/59/417532759.db2.gz JOVZOHLZJAGZPB-GFCCVEGCSA-N 0 0 313.361 0.805 10 0 DCAERN CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000453953203 417538803 /nfs/dbraw/zinc/53/88/03/417538803.db2.gz BDXPMKPJWLFODH-CYBMUJFWSA-N 0 0 321.425 0.918 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2C2CCOCC2)CC(=O)N1 ZINC000644494209 417599702 /nfs/dbraw/zinc/59/97/02/417599702.db2.gz CKUPEAMVZNIASF-JTQLQIEISA-N 0 0 306.366 0.275 10 0 DCAERN CNC(=O)NCC(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000628275943 417602896 /nfs/dbraw/zinc/60/28/96/417602896.db2.gz KQLFWPXYGUULMH-VHSXEESVSA-N 0 0 323.353 0.212 10 0 DCAERN Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000530347836 417571133 /nfs/dbraw/zinc/57/11/33/417571133.db2.gz DYOCKPGFAWJYOH-PJXYFTJBSA-N 0 0 317.393 0.849 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@](O)(C(F)F)C1)C1CCCC1 ZINC000456122135 417627271 /nfs/dbraw/zinc/62/72/71/417627271.db2.gz VXMPRXWPXDWPFQ-BXUZGUMPSA-N 0 0 304.337 0.910 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@](O)(C(F)F)C1)C1CCCC1 ZINC000456122136 417627373 /nfs/dbraw/zinc/62/73/73/417627373.db2.gz VXMPRXWPXDWPFQ-FZMZJTMJSA-N 0 0 304.337 0.910 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000531842647 417644196 /nfs/dbraw/zinc/64/41/96/417644196.db2.gz VVXSBBLZOOCJCJ-BFHYXJOUSA-N 0 0 303.399 0.815 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000577090831 417662864 /nfs/dbraw/zinc/66/28/64/417662864.db2.gz WMAFYTJNALZAAU-HNNXBMFYSA-N 0 0 320.349 0.132 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1nnnn1C ZINC000532327019 417671730 /nfs/dbraw/zinc/67/17/30/417671730.db2.gz NKLZWCJGIPVOIH-LPWJVIDDSA-N 0 0 308.430 0.971 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000532324794 417671972 /nfs/dbraw/zinc/67/19/72/417671972.db2.gz NREHFDDZZCAVCP-UHFFFAOYSA-N 0 0 315.337 0.759 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCN[C@H](c3ccccc3)C2)nn1 ZINC000456993369 417676612 /nfs/dbraw/zinc/67/66/12/417676612.db2.gz NKFFHFYIRQDVGG-HNNXBMFYSA-N 0 0 313.361 0.654 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000629223403 417760827 /nfs/dbraw/zinc/76/08/27/417760827.db2.gz WRLUTUUZHIAZJN-GJZGRUSLSA-N 0 0 301.346 0.811 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCNc2cnccn2)c1 ZINC000457481800 417706052 /nfs/dbraw/zinc/70/60/52/417706052.db2.gz QXURYKRHVOBBKQ-UHFFFAOYSA-N 0 0 314.345 1.414 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCCCO2)CC12COC2 ZINC000457825616 417709082 /nfs/dbraw/zinc/70/90/82/417709082.db2.gz VVWRGYLYZRYYOK-IUODEOHRSA-N 0 0 311.378 0.984 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458118410 417721531 /nfs/dbraw/zinc/72/15/31/417721531.db2.gz AZCGETJUBJNVHD-GFCCVEGCSA-N 0 0 324.768 0.796 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458121063 417723496 /nfs/dbraw/zinc/72/34/96/417723496.db2.gz FPPCEYDTHKSZQX-ZDUSSCGKSA-N 0 0 304.350 0.533 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C12CC3CC(CC(C3)C1)C2 ZINC000458146522 417725223 /nfs/dbraw/zinc/72/52/23/417725223.db2.gz SBIOVOUQAIXEDF-MHCOZEDOSA-N 0 0 304.394 0.972 10 0 DCAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458138086 417725289 /nfs/dbraw/zinc/72/52/89/417725289.db2.gz MCMYKFYPHHVSKH-CMPLNLGQSA-N 0 0 324.768 0.876 10 0 DCAERN Cc1ccccc1OCCCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458154846 417725695 /nfs/dbraw/zinc/72/56/95/417725695.db2.gz ZQMCYIBTTHPVCY-CQSZACIVSA-N 0 0 318.377 0.923 10 0 DCAERN CC(C)Oc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cn1 ZINC000458154998 417726862 /nfs/dbraw/zinc/72/68/62/417726862.db2.gz ZVPYIELCEDMDMC-GFCCVEGCSA-N 0 0 305.338 0.251 10 0 DCAERN O=C(NC1(C(F)(F)F)CCC1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000640071036 417782520 /nfs/dbraw/zinc/78/25/20/417782520.db2.gz VFVCSLTYSBBCTC-RKDXNWHRSA-N 0 0 319.287 0.690 10 0 DCAERN O=C(NCCO)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000631516543 417895439 /nfs/dbraw/zinc/89/54/39/417895439.db2.gz UIMXKTUYGKTNRV-SECBINFHSA-N 0 0 318.299 0.977 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)C(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444564129 287427945 /nfs/dbraw/zinc/42/79/45/287427945.db2.gz XUCOEBJOPSIWKT-MEBBXXQBSA-N 0 0 312.366 0.128 10 0 DCAERN CCOC1CC(O)(CNC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000451210987 287459227 /nfs/dbraw/zinc/45/92/27/287459227.db2.gz HVABGNKFTTZUPW-UHFFFAOYSA-N 0 0 307.394 0.959 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000189879125 335083960 /nfs/dbraw/zinc/08/39/60/335083960.db2.gz ZLRXGCLBODXUGC-HNNXBMFYSA-N 0 0 306.366 0.518 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCCCO)c1 ZINC000452500870 287478154 /nfs/dbraw/zinc/47/81/54/287478154.db2.gz BKEAHNCSPRJDBV-LLVKDONJSA-N 0 0 314.407 0.876 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188734563 545918393 /nfs/dbraw/zinc/91/83/93/545918393.db2.gz ANRUDOWTEVXFQL-LLVKDONJSA-N 0 0 308.407 0.925 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000467308832 287515445 /nfs/dbraw/zinc/51/54/45/287515445.db2.gz RLQLEGWVFUSDMU-SWHJWPDWSA-N 0 0 312.391 0.902 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1coc(C2CCC2)n1 ZINC000195415596 545934298 /nfs/dbraw/zinc/93/42/98/545934298.db2.gz XLYCZVOPPSRXCD-LBPRGKRZSA-N 0 0 309.366 0.365 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)COC1CCCC1 ZINC000488313798 287549090 /nfs/dbraw/zinc/54/90/90/287549090.db2.gz XMXSGHCYAPBDBB-GHMZBOCLSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(O)cc1 ZINC000488261435 287547903 /nfs/dbraw/zinc/54/79/03/287547903.db2.gz XGFGCIURASBYIU-MNOVXSKESA-N 0 0 322.361 0.507 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](CO)C1 ZINC000298709079 228711894 /nfs/dbraw/zinc/71/18/94/228711894.db2.gz GHNPBZOAPNGWMT-UONOGXRCSA-N 0 0 319.409 0.859 10 0 DCAERN Cc1cc(C)n2cc(CN3CCC([C@H](O)C(N)=O)CC3)nc2n1 ZINC000299747861 229391422 /nfs/dbraw/zinc/39/14/22/229391422.db2.gz FJSPFQIAGWXVRW-AWEZNQCLSA-N 0 0 317.393 0.404 10 0 DCAERN Cn1ccnc1CN1CCN(c2ccncc2C(N)=O)CC1 ZINC000302033256 230049145 /nfs/dbraw/zinc/04/91/45/230049145.db2.gz OCMCPSOXFSYXHT-UHFFFAOYSA-N 0 0 300.366 0.236 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(c3ccncc3C(N)=O)CCO2)n1 ZINC000302038963 230056358 /nfs/dbraw/zinc/05/63/58/230056358.db2.gz QOGIYPIRYAZMSA-CYBMUJFWSA-N 0 0 315.377 0.899 10 0 DCAERN c1c(N2CCN(c3ccc4nnnn4n3)CC2)n[nH]c1C1CC1 ZINC000302448259 230250026 /nfs/dbraw/zinc/25/00/26/230250026.db2.gz RSVRIFSAFOVNKT-UHFFFAOYSA-N 0 0 311.353 0.446 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)NCCCN1CCCC1=O ZINC000027480294 261103659 /nfs/dbraw/zinc/10/36/59/261103659.db2.gz HADVGMBMVGVEQQ-NSHDSACASA-N 0 0 323.418 0.995 10 0 DCAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CCOC3)CC2)n1 ZINC000179171775 261111808 /nfs/dbraw/zinc/11/18/08/261111808.db2.gz QGGRSVRDWCTDKV-RYUDHWBXSA-N 0 0 323.397 0.809 10 0 DCAERN CCCCN(Cc1nc(N(C)C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000185274494 261119406 /nfs/dbraw/zinc/11/94/06/261119406.db2.gz QRCFRLCBCBWUFN-LLVKDONJSA-N 0 0 316.427 0.925 10 0 DCAERN COc1ncccc1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186477315 261121189 /nfs/dbraw/zinc/12/11/89/261121189.db2.gz KBOBYBBBXBUWJG-UHFFFAOYSA-N 0 0 311.301 0.652 10 0 DCAERN CO[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CC[C@H]1C ZINC000187414046 261124176 /nfs/dbraw/zinc/12/41/76/261124176.db2.gz VUXXMUYRTZVYKH-RKDXNWHRSA-N 0 0 311.304 0.731 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)NCc3cc(C(N)=O)co3)cc12 ZINC000187891479 261124921 /nfs/dbraw/zinc/12/49/21/261124921.db2.gz ZOEKGHGKTLRZSD-UHFFFAOYSA-N 0 0 313.317 0.899 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC[C@H]1C ZINC000187833699 261124972 /nfs/dbraw/zinc/12/49/72/261124972.db2.gz SOTFWECTSBODOF-ZYHUDNBSSA-N 0 0 319.365 0.013 10 0 DCAERN C[C@H]1CSCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000191217392 261136325 /nfs/dbraw/zinc/13/63/25/261136325.db2.gz VRPYDLUOYVLSOB-SNVBAGLBSA-N 0 0 321.406 0.342 10 0 DCAERN CC(C)(CNC(=O)NCCNC(=O)c1ccccc1)C(N)=O ZINC000193150134 261140604 /nfs/dbraw/zinc/14/06/04/261140604.db2.gz BYHGNIDEELALCT-UHFFFAOYSA-N 0 0 306.366 0.227 10 0 DCAERN CCCc1cc(NC[C@@H](O)CN2CCOCC2)n2ncnc2n1 ZINC000193515473 261142088 /nfs/dbraw/zinc/14/20/88/261142088.db2.gz PUQRDAKYGXZJLK-CYBMUJFWSA-N 0 0 320.397 0.182 10 0 DCAERN Cc1cc(COCC(=O)N[C@@H](C)C(=O)NCc2ccco2)on1 ZINC000193521223 261142290 /nfs/dbraw/zinc/14/22/90/261142290.db2.gz NKNGONAPDLWZSQ-NSHDSACASA-N 0 0 321.333 0.914 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193465301 261142678 /nfs/dbraw/zinc/14/26/78/261142678.db2.gz ZMHOPGNHXMRWSD-VIFPVBQESA-N 0 0 309.288 0.040 10 0 DCAERN O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1CNC(=O)C1 ZINC000194813681 261148832 /nfs/dbraw/zinc/14/88/32/261148832.db2.gz FOAIOEPURKWGKG-GFCCVEGCSA-N 0 0 312.329 0.366 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)NCCNC(=O)c1cccnc1 ZINC000195127872 261151040 /nfs/dbraw/zinc/15/10/40/261151040.db2.gz NIOXECZUMVKVON-ZDUSSCGKSA-N 0 0 305.382 0.205 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC(OC)CC1 ZINC000234594110 261155086 /nfs/dbraw/zinc/15/50/86/261155086.db2.gz PRJZCEHLFBDZSZ-VXGBXAGGSA-N 0 0 305.396 0.769 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(OCC(C)C)CC1 ZINC000354831592 261276599 /nfs/dbraw/zinc/27/65/99/261276599.db2.gz HADYGSCFHVXRPG-UKRRQHHQSA-N 0 0 312.410 0.632 10 0 DCAERN c1ccc(OC[C@@H]2CN(c3ccc4nnnn4n3)CCO2)cc1 ZINC000357757417 261581709 /nfs/dbraw/zinc/58/17/09/261581709.db2.gz QHSKDUBGWZHLCX-ZDUSSCGKSA-N 0 0 312.333 0.804 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2cnn(C)c2)no1 ZINC000358539165 261681865 /nfs/dbraw/zinc/68/18/65/261681865.db2.gz QMSWADUWAUPLLG-UHFFFAOYSA-N 0 0 321.337 0.929 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC(C)(CCOC)C1 ZINC000358669207 261689903 /nfs/dbraw/zinc/68/99/03/261689903.db2.gz RRPCMUFKWTVOOI-NSHDSACASA-N 0 0 306.428 0.878 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000358694409 261694843 /nfs/dbraw/zinc/69/48/43/261694843.db2.gz RSPRVQUALIMHMN-JSGCOSHPSA-N 0 0 309.410 0.857 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC(F)(F)C2)CCO1 ZINC000359451697 261745680 /nfs/dbraw/zinc/74/56/80/261745680.db2.gz COAZXVGVXFDZEP-VHSXEESVSA-N 0 0 305.325 0.721 10 0 DCAERN CCN(CC(=O)OC)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000359810450 261771328 /nfs/dbraw/zinc/77/13/28/261771328.db2.gz QWWSGZXUXAUBOH-UHFFFAOYSA-N 0 0 322.317 0.167 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](CO)C2CCOCC2)[nH]n1 ZINC000360247532 261814227 /nfs/dbraw/zinc/81/42/27/261814227.db2.gz ASXKKKNGMUANJD-YGRLFVJLSA-N 0 0 310.398 0.736 10 0 DCAERN COC(=O)c1cccc([C@H](C(=O)OC)N2CC(=O)N(C)C2)c1 ZINC000360490662 261837249 /nfs/dbraw/zinc/83/72/49/261837249.db2.gz KYWJKUGWSGBVQF-CYBMUJFWSA-N 0 0 306.318 0.419 10 0 DCAERN C[C@](O)(CNC(=O)NCc1nnc2ccccn21)C(F)(F)F ZINC000361247613 261908236 /nfs/dbraw/zinc/90/82/36/261908236.db2.gz YDLMFFMAHLKEKQ-NSHDSACASA-N 0 0 317.271 0.842 10 0 DCAERN CCNC(=O)COc1ccc(CN2CC(=O)N(C)C2)cc1OC ZINC000361263692 261909138 /nfs/dbraw/zinc/90/91/38/261909138.db2.gz VQEPUMMYOQYXKK-UHFFFAOYSA-N 0 0 321.377 0.442 10 0 DCAERN C/C=C\C[C@@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OCC ZINC000361533783 261936002 /nfs/dbraw/zinc/93/60/02/261936002.db2.gz RDALBXXDNZGNAR-RYWCDNDXSA-N 0 0 322.361 0.876 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000361738150 261956243 /nfs/dbraw/zinc/95/62/43/261956243.db2.gz UMGVJZJCTQONLA-SNVBAGLBSA-N 0 0 310.354 0.014 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000361905164 261975659 /nfs/dbraw/zinc/97/56/59/261975659.db2.gz HLTHLIKNYPRJEP-GHMZBOCLSA-N 0 0 308.382 0.711 10 0 DCAERN COC[C@](C)(NC(=O)CN1CCCS1(=O)=O)C(F)(F)F ZINC000362195714 262008618 /nfs/dbraw/zinc/00/86/18/262008618.db2.gz XFPWZCIHWDIXGA-VIFPVBQESA-N 0 0 318.317 0.106 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c1 ZINC000362230538 262012788 /nfs/dbraw/zinc/01/27/88/262012788.db2.gz ADLRXZGEPVPLFA-MRVPVSSYSA-N 0 0 311.313 0.366 10 0 DCAERN COCCOCCC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000362314543 262021715 /nfs/dbraw/zinc/02/17/15/262021715.db2.gz NVXFRPWOXWMYHH-UHFFFAOYSA-N 0 0 314.338 0.866 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCC[C@@H]1C ZINC000362621165 262053372 /nfs/dbraw/zinc/05/33/72/262053372.db2.gz ZAKBZOQZJFHGDV-RWMBFGLXSA-N 0 0 322.427 0.126 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncc(Cl)cn1 ZINC000362658234 262057665 /nfs/dbraw/zinc/05/76/65/262057665.db2.gz QROBXRAJRNVWAK-YUMQZZPRSA-N 0 0 300.746 0.998 10 0 DCAERN COC[C@H](CCO)NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362720922 262064570 /nfs/dbraw/zinc/06/45/70/262064570.db2.gz BRQFTQLYKMBOQB-QWHCGFSZSA-N 0 0 324.377 0.913 10 0 DCAERN Cn1ccc(N2CC[C@H](N(CCO)Cc3cccnc3)C2=O)n1 ZINC000362804228 262074823 /nfs/dbraw/zinc/07/48/23/262074823.db2.gz CMOQRHFDQVCFDY-AWEZNQCLSA-N 0 0 315.377 0.415 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C)c1nnc2n1CCCCC2 ZINC000363392025 262113869 /nfs/dbraw/zinc/11/38/69/262113869.db2.gz BTOGVOKXJNTERB-MNOVXSKESA-N 0 0 320.397 0.595 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000363867134 262135079 /nfs/dbraw/zinc/13/50/79/262135079.db2.gz KOFYKNNHWCZNKD-CYBMUJFWSA-N 0 0 304.350 0.334 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363860193 262135213 /nfs/dbraw/zinc/13/52/13/262135213.db2.gz GQZSPTHOHRUZEN-AWEZNQCLSA-N 0 0 321.352 0.099 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCC(=O)N[C@@H]2C)nc1C ZINC000392903210 262160837 /nfs/dbraw/zinc/16/08/37/262160837.db2.gz PPSNUFYRVZDSPV-SCZZXKLOSA-N 0 0 300.384 0.157 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@H](COC)OC)no1 ZINC000359035316 271093011 /nfs/dbraw/zinc/09/30/11/271093011.db2.gz VUPPJWUTQUDJHR-VHSXEESVSA-N 0 0 316.358 0.628 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCOC(C)(C)C2)n1 ZINC000359219412 271104867 /nfs/dbraw/zinc/10/48/67/271104867.db2.gz BOYQTEHDGDFTSN-UHFFFAOYSA-N 0 0 321.377 0.386 10 0 DCAERN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CCCO)c1 ZINC000359601575 271128941 /nfs/dbraw/zinc/12/89/41/271128941.db2.gz HHVZNBSCAQUUKS-ABAIWWIYSA-N 0 0 320.389 0.826 10 0 DCAERN Cn1cc(C(=O)Nc2cccc(CCCO)c2)c(=O)[nH]c1=O ZINC000359603141 271130822 /nfs/dbraw/zinc/13/08/22/271130822.db2.gz LKEZAOSGTGEBPY-UHFFFAOYSA-N 0 0 303.318 0.663 10 0 DCAERN C[C@H](O)CN(C)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000360917304 271164852 /nfs/dbraw/zinc/16/48/52/271164852.db2.gz BFQZEFBSPCGEKV-NSHDSACASA-N 0 0 311.382 0.423 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000363900011 271207564 /nfs/dbraw/zinc/20/75/64/271207564.db2.gz KDHZENLDUYKMII-DSZLRUIBSA-N 0 0 323.393 0.590 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434833221 271544820 /nfs/dbraw/zinc/54/48/20/271544820.db2.gz JLMQAIAPJGGVGK-GFCCVEGCSA-N 0 0 318.333 0.533 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000435176070 271554594 /nfs/dbraw/zinc/55/45/94/271554594.db2.gz FCNGZJGVELYROP-GXSJLCMTSA-N 0 0 309.370 0.698 10 0 DCAERN COCC1(C)CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000435282673 271559455 /nfs/dbraw/zinc/55/94/55/271559455.db2.gz WBKZFFAIQNBKSL-UHFFFAOYSA-N 0 0 306.366 0.581 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000448536153 271825813 /nfs/dbraw/zinc/82/58/13/271825813.db2.gz BKSHNJWZOROHJI-UHFFFAOYSA-N 0 0 324.284 0.353 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccnc3c2cnn3C)CC12COC2 ZINC000450557896 271874959 /nfs/dbraw/zinc/87/49/59/271874959.db2.gz BZEZYFPWHPSLBL-GFCCVEGCSA-N 0 0 316.361 0.984 10 0 DCAERN Cc1cccc(C)c1NCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458124926 271942821 /nfs/dbraw/zinc/94/28/21/271942821.db2.gz AWOPPCQTCMQLSQ-ZDUSSCGKSA-N 0 0 303.366 0.484 10 0 DCAERN Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458127910 271943401 /nfs/dbraw/zinc/94/34/01/271943401.db2.gz NKPJPVDITFSNFK-QWHCGFSZSA-N 0 0 304.350 0.531 10 0 DCAERN C[C@@H](OC1CCCCCC1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458134309 271943704 /nfs/dbraw/zinc/94/37/04/271943704.db2.gz JAXHYCYEVUVTJX-OLZOCXBDSA-N 0 0 310.398 0.883 10 0 DCAERN Cc1nccnc1N1CCN(C(=O)C(=O)N(C)CC2CC2)CC1 ZINC000460005478 272024453 /nfs/dbraw/zinc/02/44/53/272024453.db2.gz DLVVJQLZDJNJDG-UHFFFAOYSA-N 0 0 317.393 0.302 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CO[C@H](C)c1nccn1C ZINC000487033903 272036135 /nfs/dbraw/zinc/03/61/35/272036135.db2.gz MQRUSNYALGEGKJ-OLZOCXBDSA-N 0 0 309.366 0.704 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CC)ccn1 ZINC000487114658 272038314 /nfs/dbraw/zinc/03/83/14/272038314.db2.gz QCTNTUZFDGMQSO-MNOVXSKESA-N 0 0 321.377 0.830 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@@H]1COCCO1 ZINC000489162151 272057525 /nfs/dbraw/zinc/05/75/25/272057525.db2.gz WZMMYLKBZDHJOK-GFCCVEGCSA-N 0 0 319.365 0.377 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CCOC ZINC000494877149 272233391 /nfs/dbraw/zinc/23/33/91/272233391.db2.gz JHCUACMAWQVEIZ-AXFHLTTASA-N 0 0 317.386 0.167 10 0 DCAERN O=C(NCCc1cscn1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000494995737 272236106 /nfs/dbraw/zinc/23/61/06/272236106.db2.gz HEUIMHXAVTWEFP-AWEZNQCLSA-N 0 0 308.407 0.997 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](C)COC ZINC000495185989 272240779 /nfs/dbraw/zinc/24/07/79/272240779.db2.gz ATTCZJYVQUPCSW-VWYCJHECSA-N 0 0 317.386 0.024 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)CC1CC1 ZINC000495197431 272241466 /nfs/dbraw/zinc/24/14/66/272241466.db2.gz XRPZOFMWOMMTNG-MXWKQRLJSA-N 0 0 313.398 0.931 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC000495234438 272241884 /nfs/dbraw/zinc/24/18/84/272241884.db2.gz UIGBHMQJIFKWRE-GRYCIOLGSA-N 0 0 311.382 0.851 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[C@@H]3CCCN3C(C)=O)[C@H]2C1 ZINC000514970209 272414274 /nfs/dbraw/zinc/41/42/74/272414274.db2.gz SGKQVOIOGFCZGN-JONQDZQNSA-N 0 0 321.421 0.761 10 0 DCAERN COC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000522111258 272546503 /nfs/dbraw/zinc/54/65/03/272546503.db2.gz VJSXPMUMCKSJHI-CJNGLKHVSA-N 0 0 321.377 0.489 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000526057319 272589307 /nfs/dbraw/zinc/58/93/07/272589307.db2.gz OTQLJVBYCSPMDJ-HOTGVXAUSA-N 0 0 315.373 0.640 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC(CCO)CC1 ZINC000533135477 272802409 /nfs/dbraw/zinc/80/24/09/272802409.db2.gz WAHIBVCPGZGZII-UHFFFAOYSA-N 0 0 308.382 0.596 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000175882321 274028631 /nfs/dbraw/zinc/02/86/31/274028631.db2.gz HLLWOQFOSTYWSH-ZDUSSCGKSA-N 0 0 322.413 0.395 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000177537150 275816674 /nfs/dbraw/zinc/81/66/74/275816674.db2.gz MXWRYRZZBPALCN-QWRGUYRKSA-N 0 0 320.397 0.292 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000375984806 277014030 /nfs/dbraw/zinc/01/40/30/277014030.db2.gz MVAGVVIIBVWTKN-OCCSQVGLSA-N 0 0 314.407 0.316 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC(C)(C)O1 ZINC000328931976 277253599 /nfs/dbraw/zinc/25/35/99/277253599.db2.gz IDRUAHJUMCECHZ-MNOVXSKESA-N 0 0 308.382 0.562 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1O ZINC000273051947 277258384 /nfs/dbraw/zinc/25/83/84/277258384.db2.gz WXBALZSIOPJEMP-NWDGAFQWSA-N 0 0 318.377 0.892 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000286533203 277304545 /nfs/dbraw/zinc/30/45/45/277304545.db2.gz VYWPCACQUIPPHK-OLZOCXBDSA-N 0 0 305.382 0.372 10 0 DCAERN CC(C)CCn1cc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)nn1 ZINC000157560438 277368281 /nfs/dbraw/zinc/36/82/81/277368281.db2.gz UBHKNYNUHFFMGW-PWSUYJOCSA-N 0 0 309.370 0.039 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cccc3ncnn32)O1 ZINC000543421066 287957619 /nfs/dbraw/zinc/95/76/19/287957619.db2.gz TZQQBHFLWWRBNN-ZYHUDNBSSA-N 0 0 317.349 0.095 10 0 DCAERN NC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000543819796 287968361 /nfs/dbraw/zinc/96/83/61/287968361.db2.gz CLZNXLQTTFXZEQ-CQSZACIVSA-N 0 0 324.340 0.716 10 0 DCAERN NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 ZINC000543819794 287968385 /nfs/dbraw/zinc/96/83/85/287968385.db2.gz CLZNXLQTTFXZEQ-AWEZNQCLSA-N 0 0 324.340 0.716 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000545883522 288003619 /nfs/dbraw/zinc/00/36/19/288003619.db2.gz IFQMTZBQYFGFEG-GFCCVEGCSA-N 0 0 320.374 0.748 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C(C)(C)C1 ZINC000190406592 278042926 /nfs/dbraw/zinc/04/29/26/278042926.db2.gz XFUWBRQUVFMJRU-JQWIXIFHSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)C1 ZINC000328966040 278053782 /nfs/dbraw/zinc/05/37/82/278053782.db2.gz MQGWANGFSHLHFY-UONOGXRCSA-N 0 0 320.393 0.795 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1c1nncn1C ZINC000120426509 278065370 /nfs/dbraw/zinc/06/53/70/278065370.db2.gz FOUMAABJZWMMKA-QWRGUYRKSA-N 0 0 309.395 0.400 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000133467389 278077642 /nfs/dbraw/zinc/07/76/42/278077642.db2.gz NTYLHJCNKBCPNS-ZFWWWQNUSA-N 0 0 315.373 0.701 10 0 DCAERN CC(=O)NCCN(CC(=O)c1ccc[nH]1)CC(=O)c1ccc[nH]1 ZINC000047551384 278110193 /nfs/dbraw/zinc/11/01/93/278110193.db2.gz LVECNPDIFJNXTR-UHFFFAOYSA-N 0 0 316.361 0.847 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCc1nccc(N)n1)c1ccccc1 ZINC000120464057 278133885 /nfs/dbraw/zinc/13/38/85/278133885.db2.gz XTNBECCHXIVJDL-ZDUSSCGKSA-N 0 0 313.361 0.943 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246185824 278206781 /nfs/dbraw/zinc/20/67/81/278206781.db2.gz UUJJRSXSCMWHDA-GRYCIOLGSA-N 0 0 323.359 0.706 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1(C)C ZINC000366082182 278228057 /nfs/dbraw/zinc/22/80/57/278228057.db2.gz APDWPKJOZSNBOW-LYOVBCGYSA-N 0 0 321.377 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3nc[nH]c3cc2F)CCS1(=O)=O ZINC000329215096 288024796 /nfs/dbraw/zinc/02/47/96/288024796.db2.gz MDVFICCYGSWBMX-MRVPVSSYSA-N 0 0 311.338 0.961 10 0 DCAERN CC1(C)CN(C(=O)C[C@H]2CCCC[C@H]2O)CCS1(=O)=O ZINC000343759030 278299574 /nfs/dbraw/zinc/29/95/74/278299574.db2.gz GYTVPNAEFQTHPG-VXGBXAGGSA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CCS1(=O)=O ZINC000152663466 278664702 /nfs/dbraw/zinc/66/47/02/278664702.db2.gz QEVGBRXKYPZNCF-SNVBAGLBSA-N 0 0 312.395 0.798 10 0 DCAERN Cc1ccc(CCNC(=O)[C@](C)(O)Cn2ccccc2=O)cn1 ZINC000547732771 288073449 /nfs/dbraw/zinc/07/34/49/288073449.db2.gz OKFZIXPEGOEMLN-QGZVFWFLSA-N 0 0 315.373 0.662 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc3ncnn31)CCO2 ZINC000547764698 288076694 /nfs/dbraw/zinc/07/66/94/288076694.db2.gz QJRZDQGFLZNOKG-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN CC(C)CN1CCN(C(=O)c2cn3cccnc3n2)CC1=O ZINC000547985602 288099021 /nfs/dbraw/zinc/09/90/21/288099021.db2.gz JHHOFASTNMJURJ-UHFFFAOYSA-N 0 0 301.350 0.670 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372073356 279084708 /nfs/dbraw/zinc/08/47/08/279084708.db2.gz MLYPLXCWAGRCRD-UONOGXRCSA-N 0 0 316.467 1.000 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 ZINC000188525632 288108521 /nfs/dbraw/zinc/10/85/21/288108521.db2.gz NBYKCQTZQSOUMS-QLFBSQMISA-N 0 0 313.442 0.636 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000191530492 279434173 /nfs/dbraw/zinc/43/41/73/279434173.db2.gz SMVIFDUOXFSGMF-NSHDSACASA-N 0 0 304.350 0.845 10 0 DCAERN COc1ccc(N(C)C(=O)CN2CCOCC2=O)cc1OC ZINC000548388499 288138446 /nfs/dbraw/zinc/13/84/46/288138446.db2.gz UMPZNKAZVQMRKH-UHFFFAOYSA-N 0 0 308.334 0.525 10 0 DCAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2cccnn2)CC1 ZINC000170649609 279573636 /nfs/dbraw/zinc/57/36/36/279573636.db2.gz KOXFPLIJZYTLBC-OAHLLOKOSA-N 0 0 315.352 0.964 10 0 DCAERN CCO[C@H](CC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000548637705 288162128 /nfs/dbraw/zinc/16/21/28/288162128.db2.gz XOSBANNOYKPTBK-GFCCVEGCSA-N 0 0 300.399 0.897 10 0 DCAERN C[S@](=O)C[C@@H](NC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000548719484 288170654 /nfs/dbraw/zinc/17/06/54/288170654.db2.gz QKPPIMHIIQFIJO-DMZKTXOQSA-N 0 0 324.402 0.081 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1 ZINC000548783269 288176466 /nfs/dbraw/zinc/17/64/66/288176466.db2.gz IFFJWVFCLCJJQX-AWEZNQCLSA-N 0 0 314.345 0.721 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000548892244 288185354 /nfs/dbraw/zinc/18/53/54/288185354.db2.gz ZCCXNEQTPLESJS-BPLDGKMQSA-N 0 0 319.409 0.522 10 0 DCAERN CC(C)[C@@H]1N(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@]12CCCO2 ZINC000329478198 280055491 /nfs/dbraw/zinc/05/54/91/280055491.db2.gz UVCBLPFECALRMG-DYEKYZERSA-N 0 0 301.408 0.837 10 0 DCAERN CN(C)c1nc2cc(NC(=O)CN3CCOCC3=O)ccc2[nH]1 ZINC000549376712 288197335 /nfs/dbraw/zinc/19/73/35/288197335.db2.gz AFGGKRVRUJBRGN-UHFFFAOYSA-N 0 0 317.349 0.426 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000365249382 280093742 /nfs/dbraw/zinc/09/37/42/280093742.db2.gz WXVMZPMBORCCFN-CENBSLRLSA-N 0 0 323.393 0.542 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NC[C@]1(O)CCOC1 ZINC000549558613 288200119 /nfs/dbraw/zinc/20/01/19/288200119.db2.gz LKQONRRMCFCHFQ-BLLLJJGKSA-N 0 0 322.361 0.667 10 0 DCAERN O=C(c1cc[nH]c(=O)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000153639643 280176188 /nfs/dbraw/zinc/17/61/88/280176188.db2.gz FFLANEMTYGSHEB-CQSZACIVSA-N 0 0 305.378 0.702 10 0 DCAERN O=C1NC[C@H]2CN([C@@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836210 280295174 /nfs/dbraw/zinc/29/51/74/280295174.db2.gz JWYZFNWSFPDPQS-GXTWGEPZSA-N 0 0 300.362 0.649 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000294164414 280340639 /nfs/dbraw/zinc/34/06/39/280340639.db2.gz PGZYNBSJUBFIQA-ZJUUUORDSA-N 0 0 316.361 0.421 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000162553436 280613836 /nfs/dbraw/zinc/61/38/36/280613836.db2.gz WOXIQTHSXHTLBT-QWHCGFSZSA-N 0 0 318.416 0.742 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccoc1CC(N)=O ZINC000552181814 288268019 /nfs/dbraw/zinc/26/80/19/288268019.db2.gz AIBQYSGWDAGLAG-NSHDSACASA-N 0 0 308.334 0.864 10 0 DCAERN CC1(C)CN(C(=O)C2(O)CCOCC2)C[C@@]2(CCCOC2)O1 ZINC000333231214 281155146 /nfs/dbraw/zinc/15/51/46/281155146.db2.gz GSGVKFNSFGUEDI-OAHLLOKOSA-N 0 0 313.394 0.715 10 0 DCAERN CC1(C)CN(C(=O)CS(C)(=O)=O)C[C@]2(CCCOC2)O1 ZINC000408347158 281165526 /nfs/dbraw/zinc/16/55/26/281165526.db2.gz QLZQOTIZUMCTDC-ZDUSSCGKSA-N 0 0 305.396 0.218 10 0 DCAERN CC[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H](C)S1(=O)=O ZINC000553797187 288307611 /nfs/dbraw/zinc/30/76/11/288307611.db2.gz CSNFLOZKYMPMBI-ZYHUDNBSSA-N 0 0 315.395 0.223 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000554712458 288336210 /nfs/dbraw/zinc/33/62/10/288336210.db2.gz BJVADBLIFARWDY-LBPRGKRZSA-N 0 0 305.382 0.719 10 0 DCAERN C[C@@H]1CC(CCNC(=O)N(C)Cc2nnnn2C)C[C@@H](C)O1 ZINC000554950981 288341902 /nfs/dbraw/zinc/34/19/02/288341902.db2.gz WZKFRBVPYKTTJU-GHMZBOCLSA-N 0 0 310.402 0.945 10 0 DCAERN O=C(NCCOCC1CCC1)NCC1(CO)CCOCC1 ZINC000555249999 288347216 /nfs/dbraw/zinc/34/72/16/288347216.db2.gz BSTBOHRRBQFRDH-UHFFFAOYSA-N 0 0 300.399 0.891 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000556729138 288388350 /nfs/dbraw/zinc/38/83/50/288388350.db2.gz ZEDOSBMEQDXXLN-JKSUJKDBSA-N 0 0 320.389 0.623 10 0 DCAERN C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557384373 288418470 /nfs/dbraw/zinc/41/84/70/288418470.db2.gz IZALRULIHYJVHW-VXGBXAGGSA-N 0 0 316.361 0.892 10 0 DCAERN CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000558877940 288462111 /nfs/dbraw/zinc/46/21/11/288462111.db2.gz HXNFWZCNTRAORM-BLLLJJGKSA-N 0 0 319.409 0.908 10 0 DCAERN CCc1nnc(N2CCO[C@H](C(N)=O)C2)n1Cc1ccccc1 ZINC000558929179 288462645 /nfs/dbraw/zinc/46/26/45/288462645.db2.gz QKOGQOHUVVAQJC-ZDUSSCGKSA-N 0 0 315.377 0.579 10 0 DCAERN CN(C(=O)NCc1nnc2ccccn21)[C@@H]1CCN(C)C1=O ZINC000562202004 288558670 /nfs/dbraw/zinc/55/86/70/288558670.db2.gz XVMUYFFSXUHDOM-SNVBAGLBSA-N 0 0 302.338 0.101 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000562417931 288573854 /nfs/dbraw/zinc/57/38/54/288573854.db2.gz UUIPNIWNRARUQS-ZFWWWQNUSA-N 0 0 316.361 0.147 10 0 DCAERN CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)[C@@H]1CCOC1 ZINC000119925635 288877079 /nfs/dbraw/zinc/87/70/79/288877079.db2.gz CIOCGDURXSKVRH-UMVBOHGHSA-N 0 0 303.362 0.848 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)O1 ZINC000329260472 289025457 /nfs/dbraw/zinc/02/54/57/289025457.db2.gz AWLINVGBLHJQHZ-FHIRATQRSA-N 0 0 322.405 0.792 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408449627 289155501 /nfs/dbraw/zinc/15/55/01/289155501.db2.gz DHUNFOBTDFMUMG-CJNGLKHVSA-N 0 0 309.410 0.496 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000106901601 289366238 /nfs/dbraw/zinc/36/62/38/289366238.db2.gz FRPNABMVOAPFTR-LSDHHAIUSA-N 0 0 324.446 0.805 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC(=O)CC2)[C@H]1c1cccnc1 ZINC000272258786 289817245 /nfs/dbraw/zinc/81/72/45/289817245.db2.gz MMYAYMFLPTWKAE-UKRRQHHQSA-N 0 0 301.346 0.793 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cncc(O)c2)C1 ZINC000275752632 290076263 /nfs/dbraw/zinc/07/62/63/290076263.db2.gz QXZHDQQKDUDXEJ-OAHLLOKOSA-N 0 0 305.378 0.970 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000185404150 290366487 /nfs/dbraw/zinc/36/64/87/290366487.db2.gz FYNJOLOFBRXUNW-CQSZACIVSA-N 0 0 305.378 0.312 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279488682 293488852 /nfs/dbraw/zinc/48/88/52/293488852.db2.gz IKLGKEWYYAPWBL-INIZCTEOSA-N 0 0 313.361 0.698 10 0 DCAERN CO[C@@H]1O[C@H](COC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255969621 293981071 /nfs/dbraw/zinc/98/10/71/293981071.db2.gz DMXZHMAFWXQZAQ-NZEXEKPDSA-N 0 0 322.285 0.122 10 0 DCAERN Cc1oc(C(=O)N2CCC(=O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000275222721 294028431 /nfs/dbraw/zinc/02/84/31/294028431.db2.gz IBYYRDRYSRVJHD-SSDOTTSWSA-N 0 0 300.336 0.287 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408052718 294031354 /nfs/dbraw/zinc/03/13/54/294031354.db2.gz CTSFZEOOYUYDES-HBCZOZSTSA-N 0 0 312.410 0.536 10 0 DCAERN Cn1[nH]c(Cn2cnc3sc4c(c3c2=O)CCC4)nc1=O ZINC000329833536 294130423 /nfs/dbraw/zinc/13/04/23/294130423.db2.gz KUJRWIRQRODSLG-UHFFFAOYSA-N 0 0 303.347 0.417 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374731032 294295519 /nfs/dbraw/zinc/29/55/19/294295519.db2.gz ARIPUSHJPSFJGN-JHJVBQTASA-N 0 0 321.439 0.508 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000091782828 295158059 /nfs/dbraw/zinc/15/80/59/295158059.db2.gz QOCSOIULABUWCF-KGLIPLIRSA-N 0 0 304.346 0.403 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)s1 ZINC000091784248 295158951 /nfs/dbraw/zinc/15/89/51/295158951.db2.gz ONGOFTBWNPMEKX-ZCFIWIBFSA-N 0 0 319.180 0.837 10 0 DCAERN COc1cccc([C@H](C)CC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784451 295323798 /nfs/dbraw/zinc/32/37/98/295323798.db2.gz NBLNERCGLCVPRJ-RISCZKNCSA-N 0 0 306.362 0.902 10 0 DCAERN O=C(N1CCN([C@@H]2CCCCNC2=O)CC1)C1(O)CCCC1 ZINC000371091390 295572090 /nfs/dbraw/zinc/57/20/90/295572090.db2.gz VLAMOIKQVXRYKA-CYBMUJFWSA-N 0 0 309.410 0.104 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000364459288 297121426 /nfs/dbraw/zinc/12/14/26/297121426.db2.gz IZZRBOCQNSIFGB-YPMHNXCESA-N 0 0 311.382 0.197 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000184324485 297636586 /nfs/dbraw/zinc/63/65/86/297636586.db2.gz FLDHQURJOXSAQU-LEWSCRJBSA-N 0 0 324.402 0.406 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247239859 298197776 /nfs/dbraw/zinc/19/77/76/298197776.db2.gz XTWSXKWBWFVXCG-VXGBXAGGSA-N 0 0 310.423 0.877 10 0 DCAERN C[C@H](NC(=O)CN1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327379 299051549 /nfs/dbraw/zinc/05/15/49/299051549.db2.gz GHXLSBLUXPHMJA-AAEUAGOBSA-N 0 0 307.398 0.530 10 0 DCAERN C[C@H](NC(=O)CN1[C@@H](C)COC[C@@H]1C)C(=O)N1CCCCC1 ZINC000077368645 299058372 /nfs/dbraw/zinc/05/83/72/299058372.db2.gz MZSBVQLFGQBMQI-IHRRRGAJSA-N 0 0 311.426 0.613 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333116267 300374721 /nfs/dbraw/zinc/37/47/21/300374721.db2.gz FWRUWAHBUPYJLC-WHOHXGKFSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121252 300808310 /nfs/dbraw/zinc/80/83/10/300808310.db2.gz CNFFQWBULRCMPD-WCQYABFASA-N 0 0 306.428 0.483 10 0 DCAERN C[S@](=O)C1(CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)CCC1 ZINC000407985588 300883210 /nfs/dbraw/zinc/88/32/10/300883210.db2.gz OWCQSDIJNONVTA-UZJPJQLHSA-N 0 0 315.439 0.644 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000123790055 301251127 /nfs/dbraw/zinc/25/11/27/301251127.db2.gz XQUQVALWOLJXLL-CHWSQXEVSA-N 0 0 308.382 0.113 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000183699581 301323816 /nfs/dbraw/zinc/32/38/16/301323816.db2.gz RVGSJWKOUDLAQL-OCCSQVGLSA-N 0 0 319.336 0.412 10 0 DCAERN O=S(=O)(NCC1(N2CCOCC2)CC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333230534 304760382 /nfs/dbraw/zinc/76/03/82/304760382.db2.gz YDNRPTJXCBEZAC-HZSPNIEDSA-N 0 0 314.451 0.959 10 0 DCAERN O=S(=O)(NCCN1CCCS1(=O)=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333154175 304760782 /nfs/dbraw/zinc/76/07/82/304760782.db2.gz KWLZKHIVXPJRGQ-GRYCIOLGSA-N 0 0 322.452 0.130 10 0 DCAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000285316067 302728707 /nfs/dbraw/zinc/72/87/07/302728707.db2.gz KMYDAEGIOYLLOP-PWSUYJOCSA-N 0 0 308.382 0.661 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246238175 303644737 /nfs/dbraw/zinc/64/47/37/303644737.db2.gz XEZVFULDRKAYBK-CDGCEXEKSA-N 0 0 313.419 0.885 10 0 DCAERN O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408485220 303819089 /nfs/dbraw/zinc/81/90/89/303819089.db2.gz PUWFCQWIGHQYLI-VXGBXAGGSA-N 0 0 302.396 0.096 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)C[C@H](O)Cc2ccccc2)C1 ZINC000570730434 332807339 /nfs/dbraw/zinc/80/73/39/332807339.db2.gz SOTQELZEIXMAGL-HZPDHXFCSA-N 0 0 304.390 0.965 10 0 DCAERN COCCN1CN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000332739464 332860390 /nfs/dbraw/zinc/86/03/90/332860390.db2.gz ALXRVNXFKSJEKC-VXGBXAGGSA-N 0 0 313.398 0.648 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCOC1 ZINC000332801363 332874847 /nfs/dbraw/zinc/87/48/47/332874847.db2.gz XRUGGKZLMOTKMW-MROQNXINSA-N 0 0 309.370 0.332 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2=O)cn1 ZINC000332914034 332905794 /nfs/dbraw/zinc/90/57/94/332905794.db2.gz ULGFDVWBYWNEGJ-XJFOESAGSA-N 0 0 318.377 0.457 10 0 DCAERN COc1ccc(F)cc1CNC(=O)C(=O)Nc1cnn(C)c1 ZINC000189229722 333066615 /nfs/dbraw/zinc/06/66/15/333066615.db2.gz IMCSMNQMRGHLBG-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)NCCCn1ccnn1 ZINC000182935572 333181639 /nfs/dbraw/zinc/18/16/39/333181639.db2.gz LRVQHRWQKIVQOL-UHFFFAOYSA-N 0 0 300.384 0.142 10 0 DCAERN CN(C)c1nccc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)n1 ZINC000583568870 335734261 /nfs/dbraw/zinc/73/42/61/335734261.db2.gz AERMKIAFUFKQLF-NSHDSACASA-N 0 0 313.427 0.403 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1nc2cccnc2[nH]1 ZINC000190243821 336261685 /nfs/dbraw/zinc/26/16/85/336261685.db2.gz GYDZKFLDVJAMGX-UHFFFAOYSA-N 0 0 322.328 0.917 10 0 DCAERN C[C@]1(CCCC(=O)NCCOCC2CCC2)NC(=O)NC1=O ZINC000582639757 337113828 /nfs/dbraw/zinc/11/38/28/337113828.db2.gz GJRZWYRNHIAYIG-OAHLLOKOSA-N 0 0 311.382 0.688 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000584401618 337318885 /nfs/dbraw/zinc/31/88/85/337318885.db2.gz SINGUVSSKLVPIL-LLVKDONJSA-N 0 0 306.370 0.308 10 0 DCAERN NC(=O)c1cc(-c2cnn(C3CS(=O)(=O)C3)c2)ccc1O ZINC000584592231 337373628 /nfs/dbraw/zinc/37/36/28/337373628.db2.gz WYLHMANVDGBGIN-UHFFFAOYSA-N 0 0 307.331 0.324 10 0 DCAERN NS(=O)(=O)c1cccc(-c2cccnc2)c1-c1nn[nH]n1 ZINC000584597093 337374312 /nfs/dbraw/zinc/37/43/12/337374312.db2.gz ZFKNEOQKUNISTF-UHFFFAOYSA-N 0 0 302.319 0.576 10 0 DCAERN O=c1c(C2(F)COC2)cc(Br)cn1C[C@H](O)CO ZINC000584622008 337374959 /nfs/dbraw/zinc/37/49/59/337374959.db2.gz KJIOPHRKUVKAHL-QMMMGPOBSA-N 0 0 322.130 0.159 10 0 DCAERN CN(C)c1nc2nc(N(C)C)c(N(C)C)nc2c(N(C)C)n1 ZINC000584623193 337375155 /nfs/dbraw/zinc/37/51/55/337375155.db2.gz IPHCNEUKPILGBQ-UHFFFAOYSA-N 0 0 304.402 0.684 10 0 DCAERN COc1cc2c(ccnc2OC[C@@H]2COC(=O)N2)cc1C(N)=O ZINC000584639812 337379810 /nfs/dbraw/zinc/37/98/10/337379810.db2.gz UHJQLTVEVMMQKS-SECBINFHSA-N 0 0 317.301 0.830 10 0 DCAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000332947915 337668425 /nfs/dbraw/zinc/66/84/25/337668425.db2.gz SSFSVHYNWHPICA-WUHRBBMRSA-N 0 0 309.410 0.968 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000191938935 340743590 /nfs/dbraw/zinc/74/35/90/340743590.db2.gz SRHYNINJRUFGLE-LLVKDONJSA-N 0 0 313.361 0.971 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)N1C[C@@H](O)C[C@H]1CO ZINC000575181772 341783986 /nfs/dbraw/zinc/78/39/86/341783986.db2.gz RLYZSRVPCJOJAC-AVGNSLFASA-N 0 0 322.361 0.354 10 0 DCAERN Cn1cc(NC(=O)CCOc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000173086378 341812499 /nfs/dbraw/zinc/81/24/99/341812499.db2.gz CIIDZUHBCZGJEF-UHFFFAOYSA-N 0 0 321.308 0.631 10 0 DCAERN O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)NC1CC1 ZINC000580584505 341881850 /nfs/dbraw/zinc/88/18/50/341881850.db2.gz NELZILWJAPXYIC-JQWIXIFHSA-N 0 0 304.412 0.141 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000189217749 520261271 /nfs/dbraw/zinc/26/12/71/520261271.db2.gz HBSNDXSGKFTIEH-GFCCVEGCSA-N 0 0 302.400 0.473 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CC[C@@H](C)[C@H](O)C1 ZINC000301956091 533830809 /nfs/dbraw/zinc/83/08/09/533830809.db2.gz LBGSIZVCHPICEG-MWLCHTKSSA-N 0 0 305.338 0.206 10 0 DCAERN C[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCS1(=O)=O ZINC000172554695 533976059 /nfs/dbraw/zinc/97/60/59/533976059.db2.gz MTLAKKNEYADKRK-DTWKUNHWSA-N 0 0 314.329 0.269 10 0 DCAERN COc1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)c(C)n1 ZINC000189142049 534108798 /nfs/dbraw/zinc/10/87/98/534108798.db2.gz ISEWLLDGGLSTKQ-NSHDSACASA-N 0 0 308.382 0.929 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N(C)CC3(CO)CC3)n2)cc1 ZINC000189144479 534229055 /nfs/dbraw/zinc/22/90/55/534229055.db2.gz KWLOKZFLPXDUKA-UHFFFAOYSA-N 0 0 315.377 0.879 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)C[C@H]1CO ZINC000188929361 534310295 /nfs/dbraw/zinc/31/02/95/534310295.db2.gz RQLYMQMJUOUMGX-OLZOCXBDSA-N 0 0 311.426 0.905 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCSC(C)(C)CC1 ZINC000366413262 519636047 /nfs/dbraw/zinc/63/60/47/519636047.db2.gz JQEOTLWXLVTONX-VXGBXAGGSA-N 0 0 300.424 0.712 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000191349562 519647429 /nfs/dbraw/zinc/64/74/29/519647429.db2.gz KDURGDFGPGQGDI-UHFFFAOYSA-N 0 0 300.318 0.453 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000191502842 519649138 /nfs/dbraw/zinc/64/91/38/519649138.db2.gz AHJGYMRSDAMDDJ-UHFFFAOYSA-N 0 0 302.309 0.972 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C1 ZINC000195467737 519649647 /nfs/dbraw/zinc/64/96/47/519649647.db2.gz SAZQDIHYLBRKQP-UHFFFAOYSA-N 0 0 311.338 0.816 10 0 DCAERN CC(C)OC[C@@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000157590587 519772458 /nfs/dbraw/zinc/77/24/58/519772458.db2.gz KRKJOIXQJMHICW-LBPRGKRZSA-N 0 0 321.381 0.449 10 0 DCAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000155771943 519800383 /nfs/dbraw/zinc/80/03/83/519800383.db2.gz MIXXKLUUBCPTTH-AWEZNQCLSA-N 0 0 305.378 0.968 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000157029813 519800773 /nfs/dbraw/zinc/80/07/73/519800773.db2.gz RFIOSKPCPLXKPD-ZDUSSCGKSA-N 0 0 317.349 0.339 10 0 DCAERN CC(C)n1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000191683476 519935964 /nfs/dbraw/zinc/93/59/64/519935964.db2.gz QGBNZDJXVWLKSL-NSHDSACASA-N 0 0 300.384 0.228 10 0 DCAERN CCOCCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185678034 519937110 /nfs/dbraw/zinc/93/71/10/519937110.db2.gz JLIWJBJFAKFNEO-UHFFFAOYSA-N 0 0 309.370 0.875 10 0 DCAERN CCOCCOCCN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000188439986 519988924 /nfs/dbraw/zinc/98/89/24/519988924.db2.gz KTKCOJPVRAEDLQ-UHFFFAOYSA-N 0 0 321.377 0.841 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000189552852 520046609 /nfs/dbraw/zinc/04/66/09/520046609.db2.gz SKUDSDGHSFYBAS-JTQLQIEISA-N 0 0 314.411 0.687 10 0 DCAERN CC(C)n1nnnc1CN1CCNC(=O)[C@H]1c1ccccc1 ZINC000156288713 520141196 /nfs/dbraw/zinc/14/11/96/520141196.db2.gz LEBBMHGYXIYRIJ-CQSZACIVSA-N 0 0 300.366 0.927 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000191593607 520211691 /nfs/dbraw/zinc/21/16/91/520211691.db2.gz UBAMAFQUGPCZET-QMMMGPOBSA-N 0 0 318.420 0.748 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2cccnc2)[C@@H]2CCO[C@@H]21 ZINC000122138379 520653474 /nfs/dbraw/zinc/65/34/74/520653474.db2.gz BBATXMKCRPSJKC-YUTCNCBUSA-N 0 0 303.362 0.741 10 0 DCAERN CC1(CNC(=O)C(=O)N2CCc3c2cccc3F)OCCCO1 ZINC000190543204 520703850 /nfs/dbraw/zinc/70/38/50/520703850.db2.gz WCNLFQDSMXHZPK-UHFFFAOYSA-N 0 0 322.336 0.984 10 0 DCAERN CCCN(CC)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cn1 ZINC000153330410 521617498 /nfs/dbraw/zinc/61/74/98/521617498.db2.gz VTNSCYGZZPYBRH-GFCCVEGCSA-N 0 0 318.377 0.853 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000163763629 521732276 /nfs/dbraw/zinc/73/22/76/521732276.db2.gz ZGFSZOATELNKFA-UHFFFAOYSA-N 0 0 318.377 0.608 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155449092 521737987 /nfs/dbraw/zinc/73/79/87/521737987.db2.gz YIVPGNZFSHSJMM-JTQLQIEISA-N 0 0 308.386 0.152 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000127749286 521739685 /nfs/dbraw/zinc/73/96/85/521739685.db2.gz OKKNIXWTVMFWDZ-UHFFFAOYSA-N 0 0 305.382 0.707 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000166839833 521748373 /nfs/dbraw/zinc/74/83/73/521748373.db2.gz USLAAVWKRLIKGY-SECBINFHSA-N 0 0 310.741 0.411 10 0 DCAERN COc1c(CNc2cccc(S(N)(=O)=O)c2)c(C)nn1C ZINC000158311400 521832693 /nfs/dbraw/zinc/83/26/93/521832693.db2.gz SSNMJEXHXBWTPM-UHFFFAOYSA-N 0 0 310.379 0.997 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCN(C(=O)[C@H](C)O)CC1 ZINC000153134065 521868996 /nfs/dbraw/zinc/86/89/96/521868996.db2.gz MXXIQWOVQKAETJ-NSHDSACASA-N 0 0 324.352 0.637 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000189170500 522596458 /nfs/dbraw/zinc/59/64/58/522596458.db2.gz VNBBQTQWHISDHA-UHFFFAOYSA-N 0 0 318.421 0.435 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)CN(C)C(=O)COC)C1 ZINC000130762852 522596695 /nfs/dbraw/zinc/59/66/95/522596695.db2.gz WJVNIHXZTQQACW-ZDUSSCGKSA-N 0 0 322.409 0.714 10 0 DCAERN COCc1nc(C)cc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000266680241 523189466 /nfs/dbraw/zinc/18/94/66/523189466.db2.gz ACKBEQFTJSLAJG-JTQLQIEISA-N 0 0 300.384 0.059 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ncccc1O ZINC000132023394 523225966 /nfs/dbraw/zinc/22/59/66/523225966.db2.gz OVDOJQYTKQTEDO-SECBINFHSA-N 0 0 303.322 0.790 10 0 DCAERN COCCN1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C ZINC000117289323 523839372 /nfs/dbraw/zinc/83/93/72/523839372.db2.gz OGGRJVSMRHHJON-CABCVRRESA-N 0 0 314.426 0.751 10 0 DCAERN CN(C(=O)c1nccnc1N)[C@H]1CCN(c2ccccc2)C1=O ZINC000114690017 523965030 /nfs/dbraw/zinc/96/50/30/523965030.db2.gz WCMXHTUVPKTOPX-LBPRGKRZSA-N 0 0 311.345 0.936 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000364862170 523965327 /nfs/dbraw/zinc/96/53/27/523965327.db2.gz GJFBLURQPOBJEJ-YNEHKIRRSA-N 0 0 311.382 0.054 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)CCC1=O ZINC000187898288 524011477 /nfs/dbraw/zinc/01/14/77/524011477.db2.gz VULIBYBXOYVZLR-WCQYABFASA-N 0 0 302.334 0.312 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H](C)C2CCCC2)N(S(C)(=O)=O)C1 ZINC000366055392 524017029 /nfs/dbraw/zinc/01/70/29/524017029.db2.gz FWISBNANVVNLTR-KGYLQXTDSA-N 0 0 318.439 0.730 10 0 DCAERN COCCOc1cc(C)ccc1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000132162516 524039471 /nfs/dbraw/zinc/03/94/71/524039471.db2.gz DHSNAWPSXGNWHY-ZDUSSCGKSA-N 0 0 306.362 0.773 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000130707405 524042344 /nfs/dbraw/zinc/04/23/44/524042344.db2.gz IWNHGMNAPUCTCI-LLVKDONJSA-N 0 0 307.398 0.691 10 0 DCAERN COCCOc1ccc(CC(=O)N2CCNC(=O)CC2)cc1 ZINC000192052424 524044263 /nfs/dbraw/zinc/04/42/63/524044263.db2.gz UPFFJLVSRDODJQ-UHFFFAOYSA-N 0 0 306.362 0.603 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000265788837 524082501 /nfs/dbraw/zinc/08/25/01/524082501.db2.gz LCTGWYXMUKXZIU-LBPRGKRZSA-N 0 0 303.366 0.427 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000364209602 524123702 /nfs/dbraw/zinc/12/37/02/524123702.db2.gz ZXHFZBUBIOFCNY-NSHDSACASA-N 0 0 315.439 0.706 10 0 DCAERN COc1ccc(Cn2ccc(NC(=O)N[C@H](C)C(N)=O)n2)cc1 ZINC000189876455 524261370 /nfs/dbraw/zinc/26/13/70/524261370.db2.gz FXTBBLAQVISXMY-SNVBAGLBSA-N 0 0 317.349 0.935 10 0 DCAERN COc1ccc(F)cc1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000189320928 524310834 /nfs/dbraw/zinc/31/08/34/524310834.db2.gz GPUQEFREAYGYPE-UHFFFAOYSA-N 0 0 321.308 0.011 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000245671429 524571533 /nfs/dbraw/zinc/57/15/33/524571533.db2.gz FLNBCCIABLVACR-WOPDTQHZSA-N 0 0 323.397 0.232 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)CCS1(=O)=O ZINC000125514383 524754123 /nfs/dbraw/zinc/75/41/23/524754123.db2.gz RCRGUIAYZLHVJO-MRVPVSSYSA-N 0 0 302.377 0.332 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)no1 ZINC000268142017 524808187 /nfs/dbraw/zinc/80/81/87/524808187.db2.gz COEOAIBESPKSDR-VXGBXAGGSA-N 0 0 313.379 0.556 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000126867267 524814285 /nfs/dbraw/zinc/81/42/85/524814285.db2.gz MOBGLADSILKSOV-YUMQZZPRSA-N 0 0 320.798 0.734 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000246271946 524828634 /nfs/dbraw/zinc/82/86/34/524828634.db2.gz APFGYSAZKYVUFT-WCQYABFASA-N 0 0 312.391 0.306 10 0 DCAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC(C)(CO)CO)c1 ZINC000183523884 524841131 /nfs/dbraw/zinc/84/11/31/524841131.db2.gz SDDLCOAMZCJOEC-GWCFXTLKSA-N 0 0 306.362 0.754 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C[S@@](C)=O)c2)CCN1CCO ZINC000249786322 524872398 /nfs/dbraw/zinc/87/23/98/524872398.db2.gz DNFMGKLJFBGEBU-MCMMXHMISA-N 0 0 324.446 0.704 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)COCc2cccs2)CCS1(=O)=O ZINC000247422832 524964978 /nfs/dbraw/zinc/96/49/78/524964978.db2.gz VBLVMUGWMOBIHH-VXGBXAGGSA-N 0 0 319.448 0.745 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)C(=O)N(C)C ZINC000365137007 525029995 /nfs/dbraw/zinc/02/99/95/525029995.db2.gz DRTFDKYUUIPPEN-NSHDSACASA-N 0 0 323.372 0.529 10 0 DCAERN C[C@@H](NC(=O)CN1CCN(CCO)[C@@H](C)C1)c1cccs1 ZINC000249604044 525106338 /nfs/dbraw/zinc/10/63/38/525106338.db2.gz ZCPBVNMGFKBDED-QWHCGFSZSA-N 0 0 311.451 0.924 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3C[C@@H](O)C3(C)C)cnc12 ZINC000190523913 534839714 /nfs/dbraw/zinc/83/97/14/534839714.db2.gz ICZDBRXPBNHNPE-VXGBXAGGSA-N 0 0 301.346 0.892 10 0 DCAERN C[C@@H](NC(=O)Nc1cnc(N(C)C)nc1)C(=O)NC(C)(C)C ZINC000155136067 525251164 /nfs/dbraw/zinc/25/11/64/525251164.db2.gz MLRPBNYTSQXMAS-SECBINFHSA-N 0 0 308.386 0.967 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)Cn1cnc2ccccc2c1=O ZINC000126917660 525894272 /nfs/dbraw/zinc/89/42/72/525894272.db2.gz LIEREUMCGQHWNJ-GXFFZTMASA-N 0 0 321.402 0.625 10 0 DCAERN Cc1c2ccccc2oc1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000155973813 525982659 /nfs/dbraw/zinc/98/26/59/525982659.db2.gz HLESZKPBDPTYLG-JTQLQIEISA-N 0 0 301.302 0.956 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)CCc3ccncn3)CCO2)c1 ZINC000191244715 526264270 /nfs/dbraw/zinc/26/42/70/526264270.db2.gz HAPGYINOHKXHQL-HNNXBMFYSA-N 0 0 315.377 0.842 10 0 DCAERN O=C(C1=COCCC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119753827 526277491 /nfs/dbraw/zinc/27/74/91/526277491.db2.gz IDOFTJFDSYWGPK-CYBMUJFWSA-N 0 0 314.407 0.707 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188015736 526296288 /nfs/dbraw/zinc/29/62/88/526296288.db2.gz RSQOHEDSKNHAMD-UHFFFAOYSA-N 0 0 306.322 0.049 10 0 DCAERN Cc1nnc(CN2CCN(c3nc(C)cc(C)n3)CC2)n1C ZINC000131584005 526338534 /nfs/dbraw/zinc/33/85/34/526338534.db2.gz ODUMEVARKNBJBD-UHFFFAOYSA-N 0 0 301.398 0.853 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCNC(=O)CC1 ZINC000299300360 526508248 /nfs/dbraw/zinc/50/82/48/526508248.db2.gz NOVOCTQEEVLJKV-SDNWHVSQSA-N 0 0 301.346 0.512 10 0 DCAERN CC(=O)NC1(C(=O)N2CCN(CCO)[C@H](C)C2)CCCCC1 ZINC000188751873 526692509 /nfs/dbraw/zinc/69/25/09/526692509.db2.gz MBCHKQNLQDAALD-CYBMUJFWSA-N 0 0 311.426 0.350 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCOC[C@H]1c1ccccc1 ZINC000366169125 526790451 /nfs/dbraw/zinc/79/04/51/526790451.db2.gz HDICEAVITBVAKY-AWEZNQCLSA-N 0 0 304.346 0.445 10 0 DCAERN O=C(CN1CCO[C@@H](c2cccs2)C1)N1CCNC(=O)C1 ZINC000157376849 526794059 /nfs/dbraw/zinc/79/40/59/526794059.db2.gz KUQRCIBCTMEALY-LLVKDONJSA-N 0 0 309.391 0.080 10 0 DCAERN NC(=O)NC1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000163634987 526928544 /nfs/dbraw/zinc/92/85/44/526928544.db2.gz SJPJBYREQPPMTB-GFCCVEGCSA-N 0 0 316.361 0.499 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)O1 ZINC000365028600 526973330 /nfs/dbraw/zinc/97/33/30/526973330.db2.gz OPGRYSYKCDGDIT-VWYCJHECSA-N 0 0 309.391 0.882 10 0 DCAERN O=C1C[C@@H](Nc2cc(N3CCC[C@H]3CO)ncn2)CN1C1CC1 ZINC000267570661 527021125 /nfs/dbraw/zinc/02/11/25/527021125.db2.gz AAZYGBQHRRWCSS-YPMHNXCESA-N 0 0 317.393 0.613 10 0 DCAERN O=C1C[C@H](Nc2cc(N3CCC[C@H]3CO)ncn2)CN1C1CC1 ZINC000267570651 527030155 /nfs/dbraw/zinc/03/01/55/527030155.db2.gz AAZYGBQHRRWCSS-AAEUAGOBSA-N 0 0 317.393 0.613 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CNC(=O)C1 ZINC000157105957 527042682 /nfs/dbraw/zinc/04/26/82/527042682.db2.gz DHKRYKCAXGFHMN-STQMWFEESA-N 0 0 307.394 0.420 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)N1CCOCC1 ZINC000191473608 527045766 /nfs/dbraw/zinc/04/57/66/527045766.db2.gz JDFJDFLYBAHDCB-AWEZNQCLSA-N 0 0 321.352 0.968 10 0 DCAERN NC(=O)c1cccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000364611822 527079945 /nfs/dbraw/zinc/07/99/45/527079945.db2.gz DQGFTSUKYLHPFF-AWEZNQCLSA-N 0 0 318.377 0.012 10 0 DCAERN Cn1c2cccc(C(=O)N3CCO[C@]4(CCOC4)C3)c2oc1=O ZINC000186100742 527106832 /nfs/dbraw/zinc/10/68/32/527106832.db2.gz PCBQDNBAASHXFX-MRXNPFEDSA-N 0 0 318.329 0.763 10 0 DCAERN Cn1c2ncn(C[C@H](O)C3CCCCC3)c2c(=O)n(C)c1=O ZINC000191278192 527126353 /nfs/dbraw/zinc/12/63/53/527126353.db2.gz ONRPYUKSPPXZJN-NSHDSACASA-N 0 0 306.366 0.375 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246794673 527186430 /nfs/dbraw/zinc/18/64/30/527186430.db2.gz ARFKMILWNNUNRF-ZIAGYGMSSA-N 0 0 318.439 0.292 10 0 DCAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@H](CO)C1 ZINC000158003642 527264376 /nfs/dbraw/zinc/26/43/76/527264376.db2.gz FKWAUVLMMZWTHQ-VIFPVBQESA-N 0 0 315.782 0.991 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCOC[C@@H](O)C2)cc1 ZINC000295614986 527311482 /nfs/dbraw/zinc/31/14/82/527311482.db2.gz OAGOXAMMDGQHSN-ABAIWWIYSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCN(CCO)[C@@H](C)C2)c1 ZINC000187718761 527361281 /nfs/dbraw/zinc/36/12/81/527361281.db2.gz CRYMQKJGHSJVST-ZDUSSCGKSA-N 0 0 319.405 0.826 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)NCC3(C)COC3)C2=O)n1 ZINC000176703793 527362444 /nfs/dbraw/zinc/36/24/44/527362444.db2.gz ZLFSZIBXSNAIKM-LLVKDONJSA-N 0 0 321.381 0.251 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCOC[C@@H](O)C2)c1 ZINC000295784016 527367579 /nfs/dbraw/zinc/36/75/79/527367579.db2.gz ZFRAZMYUBSXULS-NHYWBVRUSA-N 0 0 306.362 0.909 10 0 DCAERN O=C(Nc1ccsc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188022410 527465843 /nfs/dbraw/zinc/46/58/43/527465843.db2.gz ZETNNIAPSSHDAG-UHFFFAOYSA-N 0 0 307.375 0.814 10 0 DCAERN O=C(NC1CC1)c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000163152568 527493627 /nfs/dbraw/zinc/49/36/27/527493627.db2.gz QMURKMPOIREASZ-UHFFFAOYSA-N 0 0 301.346 0.541 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000364167146 527564537 /nfs/dbraw/zinc/56/45/37/527564537.db2.gz GUZYPZJCMDFVSV-YUMQZZPRSA-N 0 0 309.750 0.411 10 0 DCAERN Cn1nccc1CCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000124127966 527603228 /nfs/dbraw/zinc/60/32/28/527603228.db2.gz SVPUGHDATOOOEF-SNVBAGLBSA-N 0 0 318.299 0.632 10 0 DCAERN Cn1nccc1CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000111561758 527609972 /nfs/dbraw/zinc/60/99/72/527609972.db2.gz XDIAXSNALICIRV-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000176546160 527738405 /nfs/dbraw/zinc/73/84/05/527738405.db2.gz VWODHCPVIGGVKK-VXGBXAGGSA-N 0 0 303.428 0.756 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000132828330 527944165 /nfs/dbraw/zinc/94/41/65/527944165.db2.gz BXTFDUABDKRMNH-RISCZKNCSA-N 0 0 300.424 0.762 10 0 DCAERN CC(C)OCCN1C(=O)N[C@H](Cc2cn(C(C)C)nn2)C1=O ZINC000328611286 527952357 /nfs/dbraw/zinc/95/23/57/527952357.db2.gz LBCGQJILZHZQSH-GFCCVEGCSA-N 0 0 309.370 0.951 10 0 DCAERN CCCN(C[C@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960569 528125547 /nfs/dbraw/zinc/12/55/47/528125547.db2.gz RPMSQRSZBBGABL-NWDGAFQWSA-N 0 0 311.469 0.566 10 0 DCAERN CCOc1cncc(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000301982083 528770904 /nfs/dbraw/zinc/77/09/04/528770904.db2.gz BGZZYDXINJWNRP-UHFFFAOYSA-N 0 0 314.411 0.408 10 0 DCAERN CCOCCOCC(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000158812184 528790309 /nfs/dbraw/zinc/79/03/09/528790309.db2.gz WYSDDXGKZKOFKQ-UHFFFAOYSA-N 0 0 311.382 0.564 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000331028525 528966495 /nfs/dbraw/zinc/96/64/95/528966495.db2.gz WVSGVTASKHEZNK-DOMZBBRYSA-N 0 0 323.397 0.745 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)NCc2cc(C(N)=O)co2)C1=O ZINC000187110965 529067676 /nfs/dbraw/zinc/06/76/76/529067676.db2.gz LQKGFNXHBRXXAG-LLVKDONJSA-N 0 0 308.338 0.187 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)S(C)(=O)=O)CC[S@]1=O ZINC000186717453 529072031 /nfs/dbraw/zinc/07/20/31/529072031.db2.gz YEVOGPOAGQIAEI-YPMLDQLKSA-N 0 0 309.453 0.569 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000177706151 529135317 /nfs/dbraw/zinc/13/53/17/529135317.db2.gz QICAKOKSFDDMQF-XQQFMLRXSA-N 0 0 324.425 0.729 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[C@@](O)(C(N)=O)C1 ZINC000285126682 534923882 /nfs/dbraw/zinc/92/38/82/534923882.db2.gz SDYNNSYYAMJQAQ-QFYYESIMSA-N 0 0 319.361 0.138 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCNC(=O)N(C)C)c1 ZINC000457696920 536881306 /nfs/dbraw/zinc/88/13/06/536881306.db2.gz PXPZYAUJAVCLGB-UHFFFAOYSA-N 0 0 307.350 0.783 10 0 DCAERN NC(=O)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 ZINC000036791216 545646752 /nfs/dbraw/zinc/64/67/52/545646752.db2.gz OMSRYFVTZXEYFX-AWEZNQCLSA-N 0 0 305.359 0.713 10 0 DCAERN CCOc1nccnc1N1CC[C@@H](N(C)C(=O)NCCOC)C1 ZINC000065268950 545659179 /nfs/dbraw/zinc/65/91/79/545659179.db2.gz TWADHMWRRWBIQG-GFCCVEGCSA-N 0 0 323.397 0.742 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]1C1CCC1)c2=O ZINC000102870502 545731223 /nfs/dbraw/zinc/73/12/23/545731223.db2.gz LTPBATBTMQFNJI-CYBMUJFWSA-N 0 0 315.377 0.921 10 0 DCAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130727835 545790104 /nfs/dbraw/zinc/79/01/04/545790104.db2.gz GFMVJWKOCDBJPL-DGCLKSJQSA-N 0 0 318.377 0.960 10 0 DCAERN CN(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC1=O ZINC000170315923 545881097 /nfs/dbraw/zinc/88/10/97/545881097.db2.gz OUBJCGNZWHEVAH-UHFFFAOYSA-N 0 0 317.389 0.774 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000173903549 545884465 /nfs/dbraw/zinc/88/44/65/545884465.db2.gz YXAHPHWLJUWBRV-CYBMUJFWSA-N 0 0 307.398 0.921 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000177468464 545891624 /nfs/dbraw/zinc/89/16/24/545891624.db2.gz SMMTYQWAUZKYRC-LLVKDONJSA-N 0 0 304.350 0.653 10 0 DCAERN CCOCCN1CCN(C(=O)c2cnn(C)c2N)C[C@H]1CC ZINC000184655988 545910923 /nfs/dbraw/zinc/91/09/23/545910923.db2.gz YSYKTPXUDKEJMY-GFCCVEGCSA-N 0 0 309.414 0.575 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NCCOC(C)C ZINC000185221873 545911735 /nfs/dbraw/zinc/91/17/35/545911735.db2.gz JMHDAWHHFXUVMH-UHFFFAOYSA-N 0 0 306.409 0.859 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccnn1 ZINC000185063754 545912121 /nfs/dbraw/zinc/91/21/21/545912121.db2.gz SJXFYMQUYUBCDL-UHFFFAOYSA-N 0 0 323.378 0.054 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)c1cccs1 ZINC000188953306 545919679 /nfs/dbraw/zinc/91/96/79/545919679.db2.gz DKRJFQJAPCQEGI-SNVBAGLBSA-N 0 0 309.391 0.605 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)O1 ZINC000189600106 545921989 /nfs/dbraw/zinc/92/19/89/545921989.db2.gz KPOOBBWDAZLGPD-MNOVXSKESA-N 0 0 304.412 0.484 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191546769 545925648 /nfs/dbraw/zinc/92/56/48/545925648.db2.gz IBJUQJIGCGGPII-ZDUSSCGKSA-N 0 0 321.425 0.890 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)C(=O)C2)cc1C ZINC000194189757 545931943 /nfs/dbraw/zinc/93/19/43/545931943.db2.gz HVMPGZCEKAMNLL-AWEZNQCLSA-N 0 0 317.389 0.770 10 0 DCAERN Cc1nc(Cn2cc(C(=O)NC[C@H]3CCCC[C@H]3O)nn2)no1 ZINC000333014451 546069374 /nfs/dbraw/zinc/06/93/74/546069374.db2.gz WQMAWUWJJGXWNH-ZYHUDNBSSA-N 0 0 320.353 0.299 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333118822 546071744 /nfs/dbraw/zinc/07/17/44/546071744.db2.gz GGEUJBINXXNMHY-VOAKCMCISA-N 0 0 300.424 0.963 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333383519 546079378 /nfs/dbraw/zinc/07/93/78/546079378.db2.gz BUNPEZRYXWDDFN-TUAOUCFPSA-N 0 0 311.407 0.611 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000333979702 546096949 /nfs/dbraw/zinc/09/69/49/546096949.db2.gz BDXCPOMSGNRYAE-CTTWBBHYSA-N 0 0 324.421 0.990 10 0 DCAERN CC1(C)CC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000395428626 546223357 /nfs/dbraw/zinc/22/33/57/546223357.db2.gz JXUJJMRVWANANK-UHFFFAOYSA-N 0 0 318.420 0.801 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000401869011 546226361 /nfs/dbraw/zinc/22/63/61/546226361.db2.gz ASITZMXUEFKKMI-STQMWFEESA-N 0 0 306.428 0.436 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2N)C1 ZINC000402951593 546227109 /nfs/dbraw/zinc/22/71/09/546227109.db2.gz RQOXTBIAVLBBOE-CYBMUJFWSA-N 0 0 300.380 0.431 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@@H]1CCC(=O)NC1 ZINC000532673463 546289542 /nfs/dbraw/zinc/28/95/42/546289542.db2.gz NRPWPDMSNKQEEM-SNVBAGLBSA-N 0 0 300.322 0.255 10 0 DCAERN CCc1ccc([C@H]2CCCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)o1 ZINC000668875529 546868763 /nfs/dbraw/zinc/86/87/63/546868763.db2.gz HINBOTWQPOJLPZ-IXYNUQLISA-N 0 0 321.373 0.918 10 0 DCAERN O=S1(=O)C[C@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 ZINC000675060712 547658754 /nfs/dbraw/zinc/65/87/54/547658754.db2.gz MQWWTKOTVRSWRF-UONOGXRCSA-N 0 0 308.359 0.468 10 0 DCAERN Cc1cccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)c1F ZINC000681820961 548299368 /nfs/dbraw/zinc/29/93/68/548299368.db2.gz LWISYGKKYVMRIG-SNVBAGLBSA-N 0 0 300.355 0.891 10 0 DCAERN CS(=O)(=O)c1cnn(C[C@H](C(N)=S)C(F)(F)F)c1 ZINC000725242324 548749200 /nfs/dbraw/zinc/74/92/00/548749200.db2.gz UJQUZSRPBTUHLW-ZCFIWIBFSA-N 0 0 301.315 0.751 10 0 DCAERN CCOC(=O)c1csc(-n2cc(S(C)(=O)=O)cn2)n1 ZINC000725250452 548748902 /nfs/dbraw/zinc/74/89/02/548748902.db2.gz FZTPGRXDXBWYRQ-UHFFFAOYSA-N 0 0 301.349 0.909 10 0 DCAERN Cc1ncn(CC(=O)N2CCCC2)c(=O)c1Br ZINC000090767092 1175433726 /nfs/dbraw/zinc/43/37/26/1175433726.db2.gz JGFPNRATNZQISM-UHFFFAOYSA-N 0 0 300.156 0.937 10 0 DCAERN CC(C)NC(=O)CNC(=S)NCC(=O)NC1CCCCC1 ZINC000727279695 662150520 /nfs/dbraw/zinc/15/05/20/662150520.db2.gz YDAYFWXFIYPIBE-UHFFFAOYSA-N 0 0 314.455 0.424 10 0 DCAERN CN(C)Cc1csc(CN[C@H]2CCCS(=O)(=O)C2)n1 ZINC000722392584 661109213 /nfs/dbraw/zinc/10/92/13/661109213.db2.gz BGTHHYYOMROBOU-JTQLQIEISA-N 0 0 303.453 0.872 10 0 DCAERN Cn1nnc(Br)c1C(=O)NCC[C@@H]1CCOC1 ZINC000310186986 661121966 /nfs/dbraw/zinc/12/19/66/661121966.db2.gz XTSFVBFXVAEBAX-SSDOTTSWSA-N 0 0 303.160 0.734 10 0 DCAERN Cc1ccc(CN(C)C(=O)c2cn([C@@H]3COC[C@H]3O)nn2)o1 ZINC000888093814 661158252 /nfs/dbraw/zinc/15/82/52/661158252.db2.gz VCJXOGYXKJWTSW-CHWSQXEVSA-N 0 0 306.322 0.384 10 0 DCAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCCC(F)(F)C1 ZINC000888094253 661159038 /nfs/dbraw/zinc/15/90/38/661159038.db2.gz BSKHJZOOROPERA-NXEZZACHSA-N 0 0 302.281 0.082 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)CC(C)(C)O)n(C)c1=O ZINC000888094988 661164123 /nfs/dbraw/zinc/16/41/23/661164123.db2.gz ORWKLMJWLUJUHT-VXGBXAGGSA-N 0 0 324.425 0.497 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cnn(C)c2N)cn1 ZINC000888095153 661165098 /nfs/dbraw/zinc/16/50/98/661165098.db2.gz RVIMBXVSPFCHQU-NWDGAFQWSA-N 0 0 304.354 0.466 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(=O)n2C)cn1 ZINC000888095341 661166015 /nfs/dbraw/zinc/16/60/15/661166015.db2.gz YUKUQVGRZMMIJT-CMPLNLGQSA-N 0 0 305.338 0.589 10 0 DCAERN CC(C)COc1ccc(S(=O)(=O)N[C@@H]2CNOC2)cc1 ZINC000722502352 661282867 /nfs/dbraw/zinc/28/28/67/661282867.db2.gz XGCJDKYZQKDCIC-LLVKDONJSA-N 0 0 300.380 0.903 10 0 DCAERN COC(=O)c1cn(CN2CCC(CC(=O)N(C)C)CC2)nn1 ZINC000180565838 665445464 /nfs/dbraw/zinc/44/54/64/665445464.db2.gz HEYYZTFLGFKBOI-UHFFFAOYSA-N 0 0 309.370 0.213 10 0 DCAERN COC(=O)c1nccc(NCC(C)(C)CS(C)(=O)=O)n1 ZINC000723852487 657655867 /nfs/dbraw/zinc/65/58/67/657655867.db2.gz STGWUYGNSFCJKP-UHFFFAOYSA-N 0 0 301.368 0.168 10 0 DCAERN CN(C)S(=O)(=O)CCNc1cnc(Br)cn1 ZINC000309510220 657699448 /nfs/dbraw/zinc/69/94/48/657699448.db2.gz SOWYATCTZQSOMW-UHFFFAOYSA-N 0 0 309.189 0.542 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1CN1C(=O)C(=O)N(C)C1=O ZINC000176078956 657803301 /nfs/dbraw/zinc/80/33/01/657803301.db2.gz DWIHULUMLXZUTC-NSHDSACASA-N 0 0 305.338 0.034 10 0 DCAERN CCC[C@H](OC)c1noc(C[C@@H]2CNCCS2(=O)=O)n1 ZINC000725016379 658021404 /nfs/dbraw/zinc/02/14/04/658021404.db2.gz PWXJZWKXHWHAMX-ZJUUUORDSA-N 0 0 303.384 0.486 10 0 DCAERN C[C@H](CC(=O)NCC1(S(N)(=O)=O)CCC1)C(F)(F)F ZINC000721567644 658049329 /nfs/dbraw/zinc/04/93/29/658049329.db2.gz NLTAMPROMGYOJP-SSDOTTSWSA-N 0 0 302.318 0.902 10 0 DCAERN Cc1cc(NC(=O)C[C@@H]2CNCCS2(=O)=O)ccc1F ZINC000725060056 658092669 /nfs/dbraw/zinc/09/26/69/658092669.db2.gz IZRXETFEFJOZIK-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN Cc1cc(NC(=O)C[C@H]2CNCCS2(=O)=O)ccc1F ZINC000725060058 658092891 /nfs/dbraw/zinc/09/28/91/658092891.db2.gz IZRXETFEFJOZIK-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CCN(C)C[C@H]1CO ZINC000725117838 658149859 /nfs/dbraw/zinc/14/98/59/658149859.db2.gz KRRYVVPTQRNKBI-NSHDSACASA-N 0 0 304.437 0.662 10 0 DCAERN C#CCOc1ccc(NC(=O)C(=O)NCc2noc(C)n2)cc1 ZINC000076416057 658315015 /nfs/dbraw/zinc/31/50/15/658315015.db2.gz HWTJRQHONBUHPU-UHFFFAOYSA-N 0 0 314.301 0.645 10 0 DCAERN COCCCOC1CN(C(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000091221870 658418091 /nfs/dbraw/zinc/41/80/91/658418091.db2.gz HKXADSYCYZFRKI-OAQYLSRUSA-N 0 0 320.455 0.981 10 0 DCAERN CS(=O)(=O)NCCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255662236 658450549 /nfs/dbraw/zinc/45/05/49/658450549.db2.gz JWEKLLGPLYIOEN-FLIBITNWSA-N 0 0 318.420 0.516 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2nncn2C2CC2)C1=O ZINC000888076443 658713498 /nfs/dbraw/zinc/71/34/98/658713498.db2.gz KRIMAHOSUMYWPS-LBPRGKRZSA-N 0 0 321.381 0.257 10 0 DCAERN CC(C)c1noc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076845 658718153 /nfs/dbraw/zinc/71/81/53/658718153.db2.gz LRKVTLWPOIAXLV-HNNXBMFYSA-N 0 0 320.397 0.891 10 0 DCAERN CCc1ncc(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)cn1 ZINC000888078359 658726746 /nfs/dbraw/zinc/72/67/46/658726746.db2.gz LPZAKVAPDDDOFY-GXTWGEPZSA-N 0 0 302.382 0.782 10 0 DCAERN COCC1(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)CCOCC1 ZINC000888079113 658730348 /nfs/dbraw/zinc/73/03/48/658730348.db2.gz ACUDWYMHTMSCCU-YNEHKIRRSA-N 0 0 309.366 0.117 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000178223872 659147024 /nfs/dbraw/zinc/14/70/24/659147024.db2.gz UIGRHMTXYZCYLN-CYBMUJFWSA-N 0 0 301.412 0.407 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCC1(C)CCOCC1)c2=O ZINC000185524714 659250809 /nfs/dbraw/zinc/25/08/09/659250809.db2.gz GRTKPUHVBKGWNL-UHFFFAOYSA-N 0 0 320.349 0.490 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000188397751 659335428 /nfs/dbraw/zinc/33/54/28/659335428.db2.gz ILJQSAJVBDRSEM-ZDUSSCGKSA-N 0 0 318.421 0.764 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(C=O)cc1 ZINC000053317108 659343686 /nfs/dbraw/zinc/34/36/86/659343686.db2.gz HMAYYVRCFOAJTC-DGCLKSJQSA-N 0 0 304.346 0.990 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000189048427 659354528 /nfs/dbraw/zinc/35/45/28/659354528.db2.gz CLSUNHLBPXCWEZ-CQSZACIVSA-N 0 0 315.377 0.280 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000333338575 659775324 /nfs/dbraw/zinc/77/53/24/659775324.db2.gz SHCKLZKUHBFVGN-KGLIPLIRSA-N 0 0 309.410 0.319 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)n1 ZINC000182282897 665769807 /nfs/dbraw/zinc/76/98/07/665769807.db2.gz PDGZKNOJPXIZBQ-CYBMUJFWSA-N 0 0 321.381 0.052 10 0 DCAERN C[C@H](O)CNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)on1 ZINC000222729843 661628243 /nfs/dbraw/zinc/62/82/43/661628243.db2.gz HOTRXHNELWUWJX-VIFPVBQESA-N 0 0 324.358 0.856 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(C)C ZINC000178930688 662029341 /nfs/dbraw/zinc/02/93/41/662029341.db2.gz AFXNVLWBYJTRKY-MRVPVSSYSA-N 0 0 322.818 0.431 10 0 DCAERN CC(C)NC(=O)C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000223213607 662067662 /nfs/dbraw/zinc/06/76/62/662067662.db2.gz DPHWQDQQLSLVRJ-UHFFFAOYSA-N 0 0 323.393 0.289 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)OCCn2cncn2)c1 ZINC000727050357 662105061 /nfs/dbraw/zinc/10/50/61/662105061.db2.gz BDYMOOINLAODSN-UHFFFAOYSA-N 0 0 310.335 0.043 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000179053780 662371200 /nfs/dbraw/zinc/37/12/00/662371200.db2.gz UABYLQHDPIMBCO-KGLIPLIRSA-N 0 0 308.403 0.628 10 0 DCAERN CON(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC000034093270 662481413 /nfs/dbraw/zinc/48/14/13/662481413.db2.gz NCVBKCREHYSFHY-VIFPVBQESA-N 0 0 324.399 0.334 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000075526323 663084297 /nfs/dbraw/zinc/08/42/97/663084297.db2.gz JVCVKEPLQBITEE-GXSJLCMTSA-N 0 0 307.375 0.592 10 0 DCAERN O=C(CN1CCCC1=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899071529 663123096 /nfs/dbraw/zinc/12/30/96/663123096.db2.gz HCUIPCZRPMHMIR-GFCCVEGCSA-N 0 0 303.366 0.551 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000900607648 663260835 /nfs/dbraw/zinc/26/08/35/663260835.db2.gz MJTAXAKJFXLIBL-OCCSQVGLSA-N 0 0 303.362 0.239 10 0 DCAERN CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000900895421 663290966 /nfs/dbraw/zinc/29/09/66/663290966.db2.gz PKBIBMPUTLHQGF-AGIUHOORSA-N 0 0 322.409 0.747 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCCC[C@H]2CNC(N)=O)[nH]1 ZINC000435682745 663297020 /nfs/dbraw/zinc/29/70/20/663297020.db2.gz FSCVLYKCPSHTSP-JTQLQIEISA-N 0 0 316.365 0.929 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000436593315 663510946 /nfs/dbraw/zinc/51/09/46/663510946.db2.gz DFIQUTTWYVYRTH-SECBINFHSA-N 0 0 306.318 0.814 10 0 DCAERN O=C(c1nccnc1Cl)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000908088946 663731482 /nfs/dbraw/zinc/73/14/82/663731482.db2.gz FBZPCNVTMCNDIG-ZDUSSCGKSA-N 0 0 322.756 0.389 10 0 DCAERN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)Nn1ccnn1 ZINC000908825675 663771004 /nfs/dbraw/zinc/77/10/04/663771004.db2.gz REGSVSUUCDGZLD-RISCZKNCSA-N 0 0 315.333 0.164 10 0 DCAERN COCc1cncc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c1 ZINC000909178839 663784019 /nfs/dbraw/zinc/78/40/19/663784019.db2.gz KCQWBQJAPYPIHD-HZSPNIEDSA-N 0 0 302.334 0.529 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1cc(C(F)(F)F)n[nH]1 ZINC000909187306 663784702 /nfs/dbraw/zinc/78/47/02/663784702.db2.gz SWGJHAPMOZFMCM-YNEQXMIYSA-N 0 0 315.255 0.729 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909161525 663784779 /nfs/dbraw/zinc/78/47/79/663784779.db2.gz LZJALKHLMRLEAG-MBNYWOFBSA-N 0 0 303.366 0.844 10 0 DCAERN CCNc1ncc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)s1 ZINC000909189798 663785993 /nfs/dbraw/zinc/78/59/93/663785993.db2.gz LFJFTAYGGFNDGE-WCABBAIRSA-N 0 0 307.379 0.876 10 0 DCAERN CC(C)[C@@H](O)CC(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O ZINC000910374851 663875785 /nfs/dbraw/zinc/87/57/85/663875785.db2.gz SOEQMRLMRJTKFW-QWRGUYRKSA-N 0 0 304.412 0.639 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCc2ncsc2C1 ZINC000910840978 663943795 /nfs/dbraw/zinc/94/37/95/663943795.db2.gz WLPGFMFGHNJFEA-JBLDHEPKSA-N 0 0 309.391 0.098 10 0 DCAERN O=C(c1ccnc(OCC(F)F)c1)N1CCOC[C@H]1CO ZINC000912418760 664173742 /nfs/dbraw/zinc/17/37/42/664173742.db2.gz OTJCJYSEJPPEFK-SNVBAGLBSA-N 0 0 302.277 0.559 10 0 DCAERN CN1C[C@@H](C(=O)N2CCOC[C@H]2CO)c2ccccc2C1=O ZINC000912426566 664174852 /nfs/dbraw/zinc/17/48/52/664174852.db2.gz ZAESYDFBRXJFCL-BXUZGUMPSA-N 0 0 304.346 0.076 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)c1ccncc1 ZINC000223625216 664418092 /nfs/dbraw/zinc/41/80/92/664418092.db2.gz CEXVKAOCYKAVGY-UHFFFAOYSA-N 0 0 319.405 0.940 10 0 DCAERN Cc1c(C(=O)NCCCN2CCOCC2)nn2c1OCCC2 ZINC000223770270 664422992 /nfs/dbraw/zinc/42/29/92/664422992.db2.gz NKPNIDRINJACLG-UHFFFAOYSA-N 0 0 308.382 0.426 10 0 DCAERN CC[C@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CCS1 ZINC000157478553 664476094 /nfs/dbraw/zinc/47/60/94/664476094.db2.gz YUKZBEJAWDTKQX-QWRGUYRKSA-N 0 0 306.453 0.117 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)c1nccnc1N)[C@@H]2C ZINC000440156122 664505509 /nfs/dbraw/zinc/50/55/09/664505509.db2.gz OEGZSFUPOOLFNR-SECBINFHSA-N 0 0 301.354 0.991 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CCOC[C@@H]1CO ZINC000168068774 664517452 /nfs/dbraw/zinc/51/74/52/664517452.db2.gz JUXYRMADFRQGOH-VIFPVBQESA-N 0 0 301.140 0.677 10 0 DCAERN O=C(CS(=O)(=O)Cc1ccccc1)N[C@@H]1CCSC1=O ZINC000059132663 664520718 /nfs/dbraw/zinc/52/07/18/664520718.db2.gz PDQCRUBQGMTWJL-LLVKDONJSA-N 0 0 313.400 0.750 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCOC[C@@H]1CO)c1cccs1 ZINC000168477729 664524037 /nfs/dbraw/zinc/52/40/37/664524037.db2.gz LEYIUYHMDSSJMV-NWDGAFQWSA-N 0 0 312.391 0.535 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC1CC(OC)C1 ZINC000230724695 664623903 /nfs/dbraw/zinc/62/39/03/664623903.db2.gz JXDVIJYCXLPCNQ-UHFFFAOYSA-N 0 0 303.340 0.042 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000172753688 664624870 /nfs/dbraw/zinc/62/48/70/664624870.db2.gz VGELXTVJSPSGMT-PHIMTYICSA-N 0 0 304.350 0.842 10 0 DCAERN Cc1oc(C)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1C(=O)[O-] ZINC000062966763 664625086 /nfs/dbraw/zinc/62/50/86/664625086.db2.gz DSSCXAFXRBPXBU-SNVBAGLBSA-N 0 0 316.379 0.919 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC2(C1)OCCO2 ZINC000174036572 664634807 /nfs/dbraw/zinc/63/48/07/664634807.db2.gz RFCCTKZBTXGUOE-UHFFFAOYSA-N 0 0 308.382 0.738 10 0 DCAERN O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000174606405 664640709 /nfs/dbraw/zinc/64/07/09/664640709.db2.gz ONOQAQKFBLOIIY-KGLIPLIRSA-N 0 0 316.357 0.714 10 0 DCAERN CC(C)C[C@H]1CC(=O)N(CN2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000245442706 664680918 /nfs/dbraw/zinc/68/09/18/664680918.db2.gz IFDXJNUVSUSACS-STQMWFEESA-N 0 0 302.440 0.957 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1cc(C)on1 ZINC000730306895 664681742 /nfs/dbraw/zinc/68/17/42/664681742.db2.gz LKHMMHSQEGNPCE-SECBINFHSA-N 0 0 313.335 0.386 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCc1cccc(C(N)=O)c1 ZINC000730312519 664684017 /nfs/dbraw/zinc/68/40/17/664684017.db2.gz SZZUWEZOXNXUSZ-GFCCVEGCSA-N 0 0 308.359 0.750 10 0 DCAERN C[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)CCS1(=O)=O ZINC000151609087 664708964 /nfs/dbraw/zinc/70/89/64/664708964.db2.gz NRPSAUUEHVLAOD-SNVBAGLBSA-N 0 0 308.359 0.359 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000351024072 664757820 /nfs/dbraw/zinc/75/78/20/664757820.db2.gz COINKHFGUHZRTP-HUUCEWRRSA-N 0 0 322.430 0.970 10 0 DCAERN O=C(C1=COCCC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000730770029 664805572 /nfs/dbraw/zinc/80/55/72/664805572.db2.gz YSKBVJKEMJYQKG-ZDUSSCGKSA-N 0 0 314.407 0.012 10 0 DCAERN CCCCCCOCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000730770366 664805845 /nfs/dbraw/zinc/80/58/45/664805845.db2.gz DWSZWADILKRPBC-LBPRGKRZSA-N 0 0 314.382 0.473 10 0 DCAERN C[C@@H](OC(=O)C1=COCCC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000730851469 664820509 /nfs/dbraw/zinc/82/05/09/664820509.db2.gz AOXRGDZILUIOMM-GHMZBOCLSA-N 0 0 310.350 0.336 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000741421376 664837037 /nfs/dbraw/zinc/83/70/37/664837037.db2.gz ACTYDKOSYAZVTD-JOCHJYFZSA-N 0 0 322.394 0.861 10 0 DCAERN Cc1cc(C(=O)OCCN(C)S(=O)(=O)N(C)C)c(C)[nH]1 ZINC000731144202 664840531 /nfs/dbraw/zinc/84/05/31/664840531.db2.gz CJZDWHVWYNUDGY-UHFFFAOYSA-N 0 0 303.384 0.527 10 0 DCAERN CCNC(=O)COC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731737630 664881244 /nfs/dbraw/zinc/88/12/44/664881244.db2.gz VJIBMWHWRUKMJF-UHFFFAOYSA-N 0 0 320.345 0.872 10 0 DCAERN C=CC(=O)NCCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000731881390 664887967 /nfs/dbraw/zinc/88/79/67/664887967.db2.gz BDKCVBLXLYHRRY-UHFFFAOYSA-N 0 0 319.386 0.544 10 0 DCAERN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CSC(=O)N1 ZINC000155119452 665242755 /nfs/dbraw/zinc/24/27/55/665242755.db2.gz CHIIQBMNNNZBKL-NSHDSACASA-N 0 0 303.347 0.709 10 0 DCAERN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000175372138 665323210 /nfs/dbraw/zinc/32/32/10/665323210.db2.gz JACKUWLDAPZNRX-ONGXEEELSA-N 0 0 310.375 0.699 10 0 DCAERN O=C(Nc1nn[nH]n1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000170852271 665386495 /nfs/dbraw/zinc/38/64/95/665386495.db2.gz WSBXREUIPPIJKG-UHFFFAOYSA-N 0 0 321.240 0.746 10 0 DCAERN CC(=O)NCCNC(=O)c1ccc(N)c(Br)c1 ZINC000071395266 666060151 /nfs/dbraw/zinc/06/01/51/666060151.db2.gz IUWRKWKSDNYGAI-UHFFFAOYSA-N 0 0 300.156 0.897 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000183968432 666161138 /nfs/dbraw/zinc/16/11/38/666161138.db2.gz ITSFFTOIFGSGKW-UHFFFAOYSA-N 0 0 303.362 0.947 10 0 DCAERN O=C1CCC(=O)N1CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000072991579 666537634 /nfs/dbraw/zinc/53/76/34/666537634.db2.gz SPPSSIRODHCMBZ-DHZHZOJOSA-N 0 0 308.359 0.726 10 0 DCAERN O=C(c1cc(Br)cnc1F)N1CCOC[C@@H]1CO ZINC000700847655 666773464 /nfs/dbraw/zinc/77/34/64/666773464.db2.gz HESYCVQILFXXNG-QMMMGPOBSA-N 0 0 319.130 0.817 10 0 DCAERN CC[C@H](NC(=O)c1cc(Br)cnc1F)C(N)=O ZINC000700910918 666779463 /nfs/dbraw/zinc/77/94/63/666779463.db2.gz NJPMETKHWPVVDK-ZETCQYMHSA-N 0 0 304.119 0.977 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000733878088 666823421 /nfs/dbraw/zinc/82/34/21/666823421.db2.gz DRFPRTZQMXBIIS-BJFPOWJFSA-N 0 0 314.407 0.046 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C)n(C)c1=O ZINC000362914905 666853088 /nfs/dbraw/zinc/85/30/88/666853088.db2.gz WRVASSDVIDKTJS-GFCCVEGCSA-N 0 0 309.391 0.231 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(c2cnccn2)CC1 ZINC000735109217 666947291 /nfs/dbraw/zinc/94/72/91/666947291.db2.gz DUZLAHLEZKULGZ-OAQYLSRUSA-N 0 0 311.411 0.077 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000735090357 666949878 /nfs/dbraw/zinc/94/98/78/666949878.db2.gz PSVSFVPURYTUAI-LRTDBIEQSA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1cccnc1-n1cccn1 ZINC000735098545 666951766 /nfs/dbraw/zinc/95/17/66/666951766.db2.gz VOMOAHWVKTWBRU-JOCHJYFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000735095978 666951848 /nfs/dbraw/zinc/95/18/48/666951848.db2.gz MBRNGIXCFZAJIM-WVDJIFEKSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000735112366 666954507 /nfs/dbraw/zinc/95/45/07/666954507.db2.gz VGJUQPGUKKYJAX-RAALSFIWSA-N 0 0 312.457 0.218 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000735110762 666954572 /nfs/dbraw/zinc/95/45/72/666954572.db2.gz LDVCAHKMUACSDZ-GSDQLPOLSA-N 0 0 315.361 0.691 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(c2ncccn2)CC1 ZINC000735114524 666955342 /nfs/dbraw/zinc/95/53/42/666955342.db2.gz YHDWAZJWIRFMEE-OAQYLSRUSA-N 0 0 311.411 0.077 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000735196480 666965646 /nfs/dbraw/zinc/96/56/46/666965646.db2.gz JRQWIFMAYDDENH-NRFANRHFSA-N 0 0 310.375 0.445 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1C ZINC000735201729 666968576 /nfs/dbraw/zinc/96/85/76/666968576.db2.gz XDTOVDBSOCOPHO-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702820714 667000229 /nfs/dbraw/zinc/00/02/29/667000229.db2.gz WMJBXOAMBRJQIV-ZYHUDNBSSA-N 0 0 324.381 0.676 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000702821257 667000455 /nfs/dbraw/zinc/00/04/55/667000455.db2.gz YBLBMIQPUDJWQM-NWDGAFQWSA-N 0 0 322.365 0.434 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000737214886 667102765 /nfs/dbraw/zinc/10/27/65/667102765.db2.gz OQAQLEIHCOSRKF-OAQYLSRUSA-N 0 0 307.375 0.991 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(N)(=O)=O)c(C)c1 ZINC000736558659 667194843 /nfs/dbraw/zinc/19/48/43/667194843.db2.gz WQZIUVFZNVPGQP-IBGZPJMESA-N 0 0 318.420 0.141 10 0 DCAERN COCc1nn(CN2CCC[C@@H]2Cn2ccnc2C)c(=O)o1 ZINC000119816540 667205599 /nfs/dbraw/zinc/20/55/99/667205599.db2.gz IHKWHVAJRGBYFH-GFCCVEGCSA-N 0 0 307.354 0.610 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCN1CCOCC1(C)C ZINC000736659188 667214522 /nfs/dbraw/zinc/21/45/22/667214522.db2.gz LWHLXFVNPZGQFF-HXUWFJFHSA-N 0 0 305.444 0.165 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NC[C@H]1CCCC12CC2 ZINC000706206991 667403616 /nfs/dbraw/zinc/40/36/16/667403616.db2.gz LZBZSCVAJCJUKU-NEPJUHHUSA-N 0 0 300.424 0.460 10 0 DCAERN CCOC[C@@H]1CN(S(=O)(=O)C2CCC(=O)CC2)CCO1 ZINC000708213090 667442361 /nfs/dbraw/zinc/44/23/61/667442361.db2.gz CFYRIFIZJYLYOF-LBPRGKRZSA-N 0 0 305.396 0.565 10 0 DCAERN Cc1ccccc1S(=O)(=O)NC(C)(C)CNS(C)(=O)=O ZINC000708292769 667442493 /nfs/dbraw/zinc/44/24/93/667442493.db2.gz MHSFFLHNEPKOBX-UHFFFAOYSA-N 0 0 320.436 0.601 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000709121136 667444118 /nfs/dbraw/zinc/44/41/18/667444118.db2.gz UJYQLYGZATUAIW-SECBINFHSA-N 0 0 321.761 0.773 10 0 DCAERN Cn1cc(C(=O)N2CCC=C(Br)C2)n(C)c1=O ZINC000710397221 667446178 /nfs/dbraw/zinc/44/61/78/667446178.db2.gz XMINUNVYAZQACY-UHFFFAOYSA-N 0 0 300.156 0.849 10 0 DCAERN COC[C@@H](CCNC(=O)c1cnn(C)c1Br)OC ZINC000710628684 667447011 /nfs/dbraw/zinc/44/70/11/667447011.db2.gz WZIPRFOSNMDZJX-MRVPVSSYSA-N 0 0 320.187 0.964 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C1=COCCO1 ZINC000135079405 667566854 /nfs/dbraw/zinc/56/68/54/667566854.db2.gz IIXOUMSZLNCXGA-LLVKDONJSA-N 0 0 315.329 0.789 10 0 DCAERN COc1cc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)cc(C)n1 ZINC000886031726 667725991 /nfs/dbraw/zinc/72/59/91/667725991.db2.gz PVRAESUWJFFGPU-HNNXBMFYSA-N 0 0 317.349 0.267 10 0 DCAERN CC(=O)N1C[C@@H](NC(=O)c2nnc[nH]2)CC[C@H]1C(F)(F)F ZINC000886051588 667727207 /nfs/dbraw/zinc/72/72/07/667727207.db2.gz HWTUFHVVONKEPT-YUMQZZPRSA-N 0 0 305.260 0.476 10 0 DCAERN CN(C)c1ncc(CN2CCC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000886056836 667727283 /nfs/dbraw/zinc/72/72/83/667727283.db2.gz MQIPLUHSZNOGSO-OAHLLOKOSA-N 0 0 317.397 0.161 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)Nc1ccc(C3CC3)nn1)N(C)C2 ZINC000886074585 667728949 /nfs/dbraw/zinc/72/89/49/667728949.db2.gz DKZUXZOBRRQQSI-GFCCVEGCSA-N 0 0 313.365 0.707 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cn(C)nn1 ZINC000886075486 667728962 /nfs/dbraw/zinc/72/89/62/667728962.db2.gz MRIWDRMIGGEYQW-GXTWGEPZSA-N 0 0 318.381 0.269 10 0 DCAERN CO[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1c1cn(C)nn1 ZINC000886075660 667729038 /nfs/dbraw/zinc/72/90/38/667729038.db2.gz SJVKLERFNDOMOV-GXTWGEPZSA-N 0 0 308.382 0.715 10 0 DCAERN Cc1c([C@H]2CN(c3ccc(F)cn3)C[C@@H]2C(N)=O)cnn1C ZINC000886080460 667729725 /nfs/dbraw/zinc/72/97/25/667729725.db2.gz SWTBMLDWYMCILJ-OLZOCXBDSA-N 0 0 303.341 0.968 10 0 DCAERN COc1nccnc1CN1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091796 667730990 /nfs/dbraw/zinc/73/09/90/667730990.db2.gz WZDUDHATNRASOX-OAHLLOKOSA-N 0 0 319.365 0.746 10 0 DCAERN Cc1cnc(N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC000886094871 667731387 /nfs/dbraw/zinc/73/13/87/667731387.db2.gz FSRHNPCWXUQLJN-OAHLLOKOSA-N 0 0 306.366 0.459 10 0 DCAERN COc1nc(C)cc(N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095223 667731413 /nfs/dbraw/zinc/73/14/13/667731413.db2.gz OGGFGLJFBAVFHS-HNNXBMFYSA-N 0 0 322.365 0.159 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000717383753 667737238 /nfs/dbraw/zinc/73/72/38/667737238.db2.gz GHFFENVDSNVKRO-YLWLKBPMSA-N 0 0 323.574 0.969 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000717385411 667744205 /nfs/dbraw/zinc/74/42/05/667744205.db2.gz MRCMINYOTBHFKL-SVGQVSJJSA-N 0 0 323.574 0.969 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000717385414 667744217 /nfs/dbraw/zinc/74/42/17/667744217.db2.gz MRCMINYOTBHFKL-XNCJUZBTSA-N 0 0 323.574 0.969 10 0 DCAERN CCOC(=O)N1CCCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000741422141 667770838 /nfs/dbraw/zinc/77/08/38/667770838.db2.gz GMZGNFGXVUZOFX-OAQYLSRUSA-N 0 0 319.427 0.629 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000741421955 667770904 /nfs/dbraw/zinc/77/09/04/667770904.db2.gz SELJFABNDBKRQS-WIUDPPPLSA-N 0 0 316.423 0.740 10 0 DCAERN CS(=O)(=O)CCOCCNC(=S)NCc1ccccc1 ZINC000741512047 667772348 /nfs/dbraw/zinc/77/23/48/667772348.db2.gz YGMIQUBQYZNRLS-UHFFFAOYSA-N 0 0 316.448 0.712 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](O)[C@H](C)O)cc1Br ZINC000717412382 667789382 /nfs/dbraw/zinc/78/93/82/667789382.db2.gz JKOXUBIIRBTJOZ-OIBJUYFYSA-N 0 0 318.167 0.929 10 0 DCAERN COc1ccc(C(=O)NC[C@H](O)[C@H](C)O)cc1Br ZINC000717412385 667789557 /nfs/dbraw/zinc/78/95/57/667789557.db2.gz JKOXUBIIRBTJOZ-XVKPBYJWSA-N 0 0 318.167 0.929 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccnc1-n1cncn1 ZINC000743133851 667803314 /nfs/dbraw/zinc/80/33/14/667803314.db2.gz WKGPNFZQTPZAOZ-NRFANRHFSA-N 0 0 308.367 0.552 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000222886011 667885253 /nfs/dbraw/zinc/88/52/53/667885253.db2.gz IYZJBNLOASFNIG-MBNYWOFBSA-N 0 0 314.407 0.664 10 0 DCAERN O=S(=O)(c1ccns1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000717789550 667958686 /nfs/dbraw/zinc/95/86/86/667958686.db2.gz RROIHKCEHVQRAL-ZETCQYMHSA-N 0 0 302.299 0.831 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C[C@@H](C)S1 ZINC000125098445 668206194 /nfs/dbraw/zinc/20/61/94/668206194.db2.gz ISDMRTULJOLKNQ-GMTAPVOTSA-N 0 0 306.453 0.116 10 0 DCAERN CCN(C(=O)C[C@@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126450926 668597808 /nfs/dbraw/zinc/59/78/08/668597808.db2.gz MIUMFUBLTVLFSP-GFCCVEGCSA-N 0 0 302.440 0.944 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1cccc(F)c1 ZINC000126477018 668600830 /nfs/dbraw/zinc/60/08/30/668600830.db2.gz HQYQVLYRCSVNLT-GFCCVEGCSA-N 0 0 300.355 0.219 10 0 DCAERN C[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000929384410 668681617 /nfs/dbraw/zinc/68/16/17/668681617.db2.gz YHBVOEHOGJNLOW-KOLCDFICSA-N 0 0 318.329 0.688 10 0 DCAERN Cc1cc(C)n([C@H]2CCCN(C(=O)C[C@@H]3CC(=O)NC3=O)C2)n1 ZINC000932122138 669321265 /nfs/dbraw/zinc/32/12/65/669321265.db2.gz NRQSZIORUIKQAX-STQMWFEESA-N 0 0 318.377 0.716 10 0 DCAERN O=S(=O)(NCC1(CO)COC1)c1cccc2ncccc21 ZINC000129086465 669354704 /nfs/dbraw/zinc/35/47/04/669354704.db2.gz UJIJHPNVAIFPFD-UHFFFAOYSA-N 0 0 308.359 0.522 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1N1CCOCC1 ZINC000933756114 669533112 /nfs/dbraw/zinc/53/31/12/669533112.db2.gz NPYXLMOPACLXFR-GXTWGEPZSA-N 0 0 307.398 0.481 10 0 DCAERN CNC(=O)CC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000187502953 669620216 /nfs/dbraw/zinc/62/02/16/669620216.db2.gz HGRCKJWQOIKAER-GFCCVEGCSA-N 0 0 304.268 0.689 10 0 DCAERN CO[C@H](C)COC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000155763931 669835423 /nfs/dbraw/zinc/83/54/23/669835423.db2.gz IJMBXSRWRBAPQN-MPKXVKKWSA-N 0 0 309.366 0.908 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC(O)(CC#N)C1 ZINC000189059339 670080110 /nfs/dbraw/zinc/08/01/10/670080110.db2.gz VYSWLAQWDNZMIP-UHFFFAOYSA-N 0 0 304.759 0.031 10 0 DCAERN COCCN1CCCN(Cn2ncc(Cl)c2C)CC1=O ZINC000189304216 670110240 /nfs/dbraw/zinc/11/02/40/670110240.db2.gz BLHDWSMXLHDGQV-UHFFFAOYSA-N 0 0 300.790 0.983 10 0 DCAERN Cn1cc(CN2CCC[C@@H](CO)[C@H]2CO)c(Br)n1 ZINC000714078245 670175862 /nfs/dbraw/zinc/17/58/62/670175862.db2.gz KGAGXZWULIGHKY-GXSJLCMTSA-N 0 0 318.215 0.748 10 0 DCAERN CNS(=O)(=O)c1ccccc1N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714249815 670182790 /nfs/dbraw/zinc/18/27/90/670182790.db2.gz GANJHGSLSXKITQ-MGCOHNPYSA-N 0 0 318.420 0.582 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000714440278 670188664 /nfs/dbraw/zinc/18/86/64/670188664.db2.gz WPJNBQKHOHKUMK-UHFFFAOYSA-N 0 0 305.664 0.978 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000714472378 670189738 /nfs/dbraw/zinc/18/97/38/670189738.db2.gz LXVRAANFVGXGDI-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1C ZINC000716626973 670267268 /nfs/dbraw/zinc/26/72/68/670267268.db2.gz AGPUMNLKQSDHIS-SNVBAGLBSA-N 0 0 300.384 0.310 10 0 DCAERN NC(=O)C1CC(NC(=O)c2csc(Br)n2)C1 ZINC000716744681 670271784 /nfs/dbraw/zinc/27/17/84/670271784.db2.gz GBKIMRLXWCPHOO-UHFFFAOYSA-N 0 0 304.169 0.899 10 0 DCAERN CCN1CN(S(=O)(=O)c2c(C)nn(C)c2Cl)CC1=O ZINC000190652036 670472982 /nfs/dbraw/zinc/47/29/82/670472982.db2.gz WQWPTFZIBUQVJT-UHFFFAOYSA-N 0 0 306.775 0.192 10 0 DCAERN Cn1cc(C(=O)C(=O)Nc2cc(Cl)ccc2C(N)=O)cn1 ZINC000195274227 670478449 /nfs/dbraw/zinc/47/84/49/670478449.db2.gz MLSSAOZCYMVCQJ-UHFFFAOYSA-N 0 0 306.709 0.994 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cn[nH]c1 ZINC000106753905 670532379 /nfs/dbraw/zinc/53/23/79/670532379.db2.gz VYNTUZPKRQXETG-MRVPVSSYSA-N 0 0 319.346 0.475 10 0 DCAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)c1 ZINC000112094467 670541610 /nfs/dbraw/zinc/54/16/10/670541610.db2.gz QKELMFZLIPRDCJ-ZDUSSCGKSA-N 0 0 316.427 0.477 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC2(C1)OCCO2 ZINC000108812478 670841340 /nfs/dbraw/zinc/84/13/40/670841340.db2.gz BSTVSLQYCNTRJE-UHFFFAOYSA-N 0 0 303.318 0.305 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ocnc2C)cn1 ZINC000818600781 671034281 /nfs/dbraw/zinc/03/42/81/671034281.db2.gz RGZIQLXCFLYZNF-NWDGAFQWSA-N 0 0 306.322 0.776 10 0 DCAERN CCCCC[C@H](C)NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891103 671137313 /nfs/dbraw/zinc/13/73/13/671137313.db2.gz AIBUWNQXQSECMR-STQMWFEESA-N 0 0 319.471 0.695 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N(C)C(C)C)C[C@@H]1C ZINC000117368716 671197737 /nfs/dbraw/zinc/19/77/37/671197737.db2.gz ZOFIVZQGFYVUFY-ZDUSSCGKSA-N 0 0 307.460 0.614 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892827 672247401 /nfs/dbraw/zinc/24/74/01/672247401.db2.gz LYSQWRAMBMYZAD-AWEZNQCLSA-N 0 0 315.439 0.717 10 0 DCAERN CCN1CC[C@H](NC(=O)Nc2ccc(C(=O)OC)nn2)C1=O ZINC000619802991 677762692 /nfs/dbraw/zinc/76/26/92/677762692.db2.gz UKJYNXDLWOCMJS-QMMMGPOBSA-N 0 0 307.310 0.006 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1O ZINC000388919321 685255995 /nfs/dbraw/zinc/25/59/95/685255995.db2.gz VIFJQBKSNURMGM-BDAKNGLRSA-N 0 0 315.782 0.989 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1O ZINC000388919326 685256657 /nfs/dbraw/zinc/25/66/57/685256657.db2.gz VIFJQBKSNURMGM-RKDXNWHRSA-N 0 0 315.782 0.989 10 0 DCAERN C[C@@H](CNC(=O)c1ccnc(Br)c1)S(N)(=O)=O ZINC000398311471 685274507 /nfs/dbraw/zinc/27/45/07/685274507.db2.gz ZIMIPYHNCNMZAN-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN O=S(=O)(N[C@H](CO)CC(F)(F)F)c1cccnc1F ZINC000717839502 685303755 /nfs/dbraw/zinc/30/37/55/685303755.db2.gz KCXTVUJKOBODKZ-LURJTMIESA-N 0 0 302.249 0.812 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1Cl ZINC000720845314 685315818 /nfs/dbraw/zinc/31/58/18/685315818.db2.gz QMVWRFLOAVCUII-NXEZZACHSA-N 0 0 318.830 0.931 10 0 DCAERN C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H]1CCCO1 ZINC000720540371 685313680 /nfs/dbraw/zinc/31/36/80/685313680.db2.gz IZRUKXBXIYKKHI-WCBMZHEXSA-N 0 0 318.420 0.827 10 0 DCAERN C[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCO1 ZINC000720540366 685313752 /nfs/dbraw/zinc/31/37/52/685313752.db2.gz IZRUKXBXIYKKHI-SCZZXKLOSA-N 0 0 318.420 0.827 10 0 DCAERN CO[C@@]1(CNC(=O)NCc2ccccc2)CCS(=O)(=O)C1 ZINC000720913155 685317407 /nfs/dbraw/zinc/31/74/07/685317407.db2.gz COMPVAAQXJZXIB-CQSZACIVSA-N 0 0 312.391 0.690 10 0 DCAERN CC1CCN(C(=O)NCC[C@@H]2CNCCS2(=O)=O)CC1 ZINC000721758746 685318840 /nfs/dbraw/zinc/31/88/40/685318840.db2.gz FVSVRUNWWPZFLM-GFCCVEGCSA-N 0 0 303.428 0.205 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1cncc(Br)c1 ZINC000722491523 685319714 /nfs/dbraw/zinc/31/97/14/685319714.db2.gz WTMVPHDOACUKPQ-ZETCQYMHSA-N 0 0 308.157 0.026 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccc2c(c1)OCCCO2 ZINC000722500220 685319744 /nfs/dbraw/zinc/31/97/44/685319744.db2.gz IILHTNMAHZWRIB-SECBINFHSA-N 0 0 300.336 0.030 10 0 DCAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000245614596 685157840 /nfs/dbraw/zinc/15/78/40/685157840.db2.gz MFTURNMITCIOGQ-DRXBFXEBSA-N 0 0 322.409 0.513 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000245730473 685158917 /nfs/dbraw/zinc/15/89/17/685158917.db2.gz CERJTYQCSGLOGT-SUHUHFCYSA-N 0 0 306.362 0.841 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H](O)c2cccc(F)c2)CCN1CCO ZINC000249489535 685180750 /nfs/dbraw/zinc/18/07/50/685180750.db2.gz DTEAFBYLWJLTIW-SWLSCSKDSA-N 0 0 310.369 0.774 10 0 DCAERN C[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCc2ccccc21 ZINC000249525939 685181301 /nfs/dbraw/zinc/18/13/01/685181301.db2.gz YGNMVYDQAGCIPR-GJZGRUSLSA-N 0 0 317.433 0.963 10 0 DCAERN CO[C@@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CC[C@H]1C ZINC000249770170 685184106 /nfs/dbraw/zinc/18/41/06/685184106.db2.gz JHBBXVPDHKXSSM-TZMCWYRMSA-N 0 0 303.366 0.743 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccnn2CC(F)F)CC1 ZINC000279015682 685196446 /nfs/dbraw/zinc/19/64/46/685196446.db2.gz UGPKVZDYHUZRLM-UHFFFAOYSA-N 0 0 300.309 0.843 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000372752447 685228476 /nfs/dbraw/zinc/22/84/76/685228476.db2.gz SBWJQZXPFKVMJW-IJLUTSLNSA-N 0 0 316.448 0.641 10 0 DCAERN O=C(NC1COCCOC1)c1ccc(Br)nc1 ZINC000383753666 685243303 /nfs/dbraw/zinc/24/33/03/685243303.db2.gz FIDZLSGEJUYQTI-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN CNC(=O)NCCNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000397382848 1158098459 /nfs/dbraw/zinc/09/84/59/1158098459.db2.gz XKDGBTDTEDIMFB-UHFFFAOYSA-N 0 0 310.738 0.081 10 0 DCAERN C[C@H](CCCCO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000398731852 1158130615 /nfs/dbraw/zinc/13/06/15/1158130615.db2.gz MRIRVCOJOROSHA-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN O=C(c1cccnc1Br)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396930541 1158343766 /nfs/dbraw/zinc/34/37/66/1158343766.db2.gz OTXIEEZDLBMQHY-PSASIEDQSA-N 0 0 315.167 0.659 10 0 DCAERN NC(=O)C1(O)CCN(C(=O)c2coc(Br)c2)CC1 ZINC000386160326 1158758921 /nfs/dbraw/zinc/75/89/21/1158758921.db2.gz FHNHZDNEGBCSHO-UHFFFAOYSA-N 0 0 317.139 0.495 10 0 DCAERN CC(=O)CC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC000346415594 1158863560 /nfs/dbraw/zinc/86/35/60/1158863560.db2.gz RNTJLAJWYZBOSQ-NSHDSACASA-N 0 0 302.396 0.286 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000025442495 1171410494 /nfs/dbraw/zinc/41/04/94/1171410494.db2.gz BLUARSMDMKULFI-JTQLQIEISA-N 0 0 307.350 0.525 10 0 DCAERN CCOc1ccccc1NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000044441079 1171568527 /nfs/dbraw/zinc/56/85/27/1171568527.db2.gz DUMOHOGYGXYDES-UHFFFAOYSA-N 0 0 303.318 0.952 10 0 DCAERN C=CCNC(=O)[C@@H](C)Sc1nnc(CN2CCCC2=O)o1 ZINC000052448837 1171778763 /nfs/dbraw/zinc/77/87/63/1171778763.db2.gz DBWIWSWRVUHMLJ-SECBINFHSA-N 0 0 310.379 0.975 10 0 DCAERN CCC(=O)NCC(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066941464 1173767851 /nfs/dbraw/zinc/76/78/51/1173767851.db2.gz LRZILXNNWBEAAM-UHFFFAOYSA-N 0 0 309.410 0.764 10 0 DCAERN CN1C[C@@H](C(=O)NCc2ccnc(OCC3CC3)c2)CC1=O ZINC000067333793 1173772276 /nfs/dbraw/zinc/77/22/76/1173772276.db2.gz RYIWLQBQKDHJJE-ZDUSSCGKSA-N 0 0 303.362 0.965 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000152757127 1180545305 /nfs/dbraw/zinc/54/53/05/1180545305.db2.gz XIGUMXCGMOEXMA-CHWSQXEVSA-N 0 0 309.410 0.523 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-n2cccn2)c(F)c1 ZINC000153516872 1180549205 /nfs/dbraw/zinc/54/92/05/1180549205.db2.gz VQVHSENEYDMIGW-LLVKDONJSA-N 0 0 316.292 0.546 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000154597344 1180551727 /nfs/dbraw/zinc/55/17/27/1180551727.db2.gz MLSUEJCAZYGEAC-UHFFFAOYSA-N 0 0 306.428 0.826 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000159501243 1180567014 /nfs/dbraw/zinc/56/70/14/1180567014.db2.gz LLKYCWFYWHEKOW-AWEZNQCLSA-N 0 0 303.362 0.496 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)CS(=O)(=O)C(C)(C)C)C1 ZINC000163212912 1182521772 /nfs/dbraw/zinc/52/17/72/1182521772.db2.gz CFOWYIVSCMRWNH-LBPRGKRZSA-N 0 0 318.439 0.574 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]1O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000245990580 1182968738 /nfs/dbraw/zinc/96/87/38/1182968738.db2.gz LPPRCYFEOOMTBN-BFHYXJOUSA-N 0 0 316.357 0.535 10 0 DCAERN Cc1noc([C@H](NC(=O)CCNS(C)(=O)=O)C(C)C)n1 ZINC000171824669 1183784455 /nfs/dbraw/zinc/78/44/55/1183784455.db2.gz IYMBSSRBZRIXKN-SNVBAGLBSA-N 0 0 304.372 0.131 10 0 DCAERN Cc1noc([C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000176817417 1184223038 /nfs/dbraw/zinc/22/30/38/1184223038.db2.gz CWZKJEZPEZJTDN-PSASIEDQSA-N 0 0 303.384 0.872 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)Cn2nnc3ccccc32)C1=O ZINC000178103174 1184363756 /nfs/dbraw/zinc/36/37/56/1184363756.db2.gz BTOCLCALNGMAMD-LLVKDONJSA-N 0 0 315.333 0.083 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)Cn2nnc3ccccc32)C1=O ZINC000178103162 1184364736 /nfs/dbraw/zinc/36/47/36/1184364736.db2.gz BTOCLCALNGMAMD-NSHDSACASA-N 0 0 315.333 0.083 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178766463 1185159245 /nfs/dbraw/zinc/15/92/45/1185159245.db2.gz AFRWJXRCTYNKBY-WJLOJVBCSA-N 0 0 303.424 0.978 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c(Cl)n1 ZINC000189417275 1187894142 /nfs/dbraw/zinc/89/41/42/1187894142.db2.gz KHABDFGYPYVTGZ-MRVPVSSYSA-N 0 0 303.771 0.682 10 0 DCAERN O=C(CCOCC(F)F)NCCNC(=O)c1ccccc1O ZINC000189547262 1187914088 /nfs/dbraw/zinc/91/40/88/1187914088.db2.gz BRSCCQMPOXEILN-UHFFFAOYSA-N 0 0 316.304 0.910 10 0 DCAERN CO[C@@H]1CCCC[C@@H]1OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000193654148 1188077033 /nfs/dbraw/zinc/07/70/33/1188077033.db2.gz QWYDJIRXDVEDJL-VSONXHSHSA-N 0 0 322.361 0.598 10 0 DCAERN CC(C)[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307895110 1190384243 /nfs/dbraw/zinc/38/42/43/1190384243.db2.gz OQRVHIIPRPSHOP-GFCCVEGCSA-N 0 0 300.380 0.419 10 0 DCAERN CN1C[C@H](NC(=O)c2cc(Br)ccc2N)CC1=O ZINC000311058840 1190390558 /nfs/dbraw/zinc/39/05/58/1190390558.db2.gz SAINDESEQNWIQI-MRVPVSSYSA-N 0 0 312.167 0.992 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NCCn1ncnn1 ZINC000379751961 1190699271 /nfs/dbraw/zinc/69/92/71/1190699271.db2.gz AJFNWNMTAAGTKD-UHFFFAOYSA-N 0 0 311.143 0.448 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(=O)[nH]1 ZINC000391350713 1190700896 /nfs/dbraw/zinc/70/08/96/1190700896.db2.gz HWDLTQFLLNYIHL-HNNXBMFYSA-N 0 0 318.333 0.218 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CC[C@H](O)[C@H](CO)C1 ZINC000396929550 1190703063 /nfs/dbraw/zinc/70/30/63/1190703063.db2.gz OHLGKZSRNSNOPC-UWVGGRQHSA-N 0 0 315.167 0.659 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000179614249 758128695 /nfs/dbraw/zinc/12/86/95/758128695.db2.gz BRDWQZWOZBDIPC-IIAWOOMASA-N 0 0 306.362 0.967 10 0 DCAERN COC(=O)NCCNC(=O)c1nscc1Br ZINC000404776439 774140728 /nfs/dbraw/zinc/14/07/28/774140728.db2.gz TWZDXPYKYCDSGL-UHFFFAOYSA-N 0 0 308.157 0.991 10 0 DCAERN O=C([O-])CC[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695041400 968954777 /nfs/dbraw/zinc/95/47/77/968954777.db2.gz WOWWHCTWABUVTQ-LBPRGKRZSA-N 0 0 304.412 0.599 10 0 DCAERN CS(=O)(=O)N1CCC([NH2+]Cc2csc(C(=O)[O-])c2)CC1 ZINC000689119667 976229135 /nfs/dbraw/zinc/22/91/35/976229135.db2.gz DIFIUCBQJXVSNL-UHFFFAOYSA-N 0 0 318.420 0.960 10 0 DCAERN CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694152234 976671206 /nfs/dbraw/zinc/67/12/06/976671206.db2.gz UQQZHTTZYJOACD-SNVBAGLBSA-N 0 0 302.352 0.740 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000696718608 976822065 /nfs/dbraw/zinc/82/20/65/976822065.db2.gz HNIRJVBMKIKROW-RVMXOQNASA-N 0 0 301.408 0.996 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)C3)CC2 ZINC000188424871 282115689 /nfs/dbraw/zinc/11/56/89/282115689.db2.gz UFJIRYGALQRHLO-LBPRGKRZSA-N 0 0 311.345 0.826 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000286565142 219056974 /nfs/dbraw/zinc/05/69/74/219056974.db2.gz SQXBFJDMYHUUFO-ZDUSSCGKSA-N 0 0 314.794 0.881 10 0 DCAERN COc1ccnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)n1 ZINC000328613437 231246237 /nfs/dbraw/zinc/24/62/37/231246237.db2.gz RZPZDBBFFSPBRX-IINYFYTJSA-N 0 0 316.365 0.850 10 0 DCAERN CCCc1cc(NC(=O)CN(C)S(=O)(=O)CC)n(C)n1 ZINC000090152732 185283970 /nfs/dbraw/zinc/28/39/70/185283970.db2.gz IRLNRQVETRFLQK-UHFFFAOYSA-N 0 0 302.400 0.593 10 0 DCAERN CC1(C)OCC2(C[C@H](n3cnc4c3ncnc4N)CO2)CO1 ZINC000090602405 185306043 /nfs/dbraw/zinc/30/60/43/185306043.db2.gz IQTIXSBPQMEZKI-VIFPVBQESA-N 0 0 305.338 0.892 10 0 DCAERN CN(C)S(=O)(=O)n1nccc1I ZINC000090560966 185303535 /nfs/dbraw/zinc/30/35/35/185303535.db2.gz YGWJTVDOQDCULZ-UHFFFAOYSA-N 0 0 301.109 0.142 10 0 DCAERN CC[C@@H](NC(=O)c1cnc2sc(C)cn2c1=O)C(=O)OC ZINC000092949823 185350334 /nfs/dbraw/zinc/35/03/34/185350334.db2.gz AQMUVHPEDJOPMZ-SECBINFHSA-N 0 0 309.347 0.746 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181409763 199292864 /nfs/dbraw/zinc/29/28/64/199292864.db2.gz DMGHMPGIYMFNOT-NSHDSACASA-N 0 0 322.413 0.540 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000181527639 199311452 /nfs/dbraw/zinc/31/14/52/199311452.db2.gz ZUGOCHHFVWKBHA-AWEZNQCLSA-N 0 0 309.414 0.371 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000097015064 185397324 /nfs/dbraw/zinc/39/73/24/185397324.db2.gz NUTCQMFINAKTIG-RYUDHWBXSA-N 0 0 314.411 0.910 10 0 DCAERN CCC(CC)n1nc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1C ZINC000181352079 282293421 /nfs/dbraw/zinc/29/34/21/282293421.db2.gz HWZWIWAJJJDUIN-CYBMUJFWSA-N 0 0 308.382 0.879 10 0 DCAERN CN1C[C@@H]2[C@@H](CCCN2Cc2nnnn2CC(F)(F)F)C1=O ZINC000299741510 529824054 /nfs/dbraw/zinc/82/40/54/529824054.db2.gz FLLPTTSQLWCMQF-RKDXNWHRSA-N 0 0 318.303 0.288 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(C)C ZINC000178587144 529898230 /nfs/dbraw/zinc/89/82/30/529898230.db2.gz GNJYWYRPUAXQCF-NSHDSACASA-N 0 0 319.365 0.070 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000179279986 529902913 /nfs/dbraw/zinc/90/29/13/529902913.db2.gz HTUZXHFCTICPQA-XQQFMLRXSA-N 0 0 324.425 0.696 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccc2[nH]ccc21)C(C)C ZINC000179081529 529918712 /nfs/dbraw/zinc/91/87/12/529918712.db2.gz FAJIZKJFSWCNNX-CYBMUJFWSA-N 0 0 316.361 0.993 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(C)C ZINC000179126576 529920491 /nfs/dbraw/zinc/92/04/91/529920491.db2.gz TVKWEFJGUMWANN-GFCCVEGCSA-N 0 0 302.338 0.163 10 0 DCAERN COC[C@@H](C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000103392272 185449615 /nfs/dbraw/zinc/44/96/15/185449615.db2.gz LCOMFNHRMQFGMM-LLVKDONJSA-N 0 0 317.349 0.605 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCc2cscn2)c(C)o1 ZINC000175910207 530025722 /nfs/dbraw/zinc/02/57/22/530025722.db2.gz LSFPUWXHSNGNGL-UHFFFAOYSA-N 0 0 315.376 0.883 10 0 DCAERN CCc1nc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cs1 ZINC000107615982 185485865 /nfs/dbraw/zinc/48/58/65/185485865.db2.gz OSMSJMKFPNMURB-UHFFFAOYSA-N 0 0 324.406 0.996 10 0 DCAERN COC(=O)c1ccc(N2CCO[C@@H](Cn3cccn3)C2)nn1 ZINC000108949304 185542407 /nfs/dbraw/zinc/54/24/07/185542407.db2.gz BCWOYQKYJWTHIF-LLVKDONJSA-N 0 0 303.322 0.365 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000181784067 199352169 /nfs/dbraw/zinc/35/21/69/199352169.db2.gz WOTQXVMIPQKHNS-AWEZNQCLSA-N 0 0 309.414 0.290 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N(C)CC(F)(F)F ZINC000408149245 295742382 /nfs/dbraw/zinc/74/23/82/295742382.db2.gz JTTAWZSNADAUME-IUCAKERBSA-N 0 0 316.345 0.515 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000234601309 201906525 /nfs/dbraw/zinc/90/65/25/201906525.db2.gz FIZAEADAABSZNI-MMVSWEMESA-N 0 0 305.396 0.361 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@@H]1CCCO1 ZINC000171183555 197893455 /nfs/dbraw/zinc/89/34/55/197893455.db2.gz PTTZXRZISTYFRM-OLZOCXBDSA-N 0 0 305.382 0.876 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171485847 186167205 /nfs/dbraw/zinc/16/72/05/186167205.db2.gz UQFNLNKDZKOHAK-NSHDSACASA-N 0 0 310.354 0.905 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(NC=O)cc2)C[C@H]1C ZINC000173291582 186172605 /nfs/dbraw/zinc/17/26/05/186172605.db2.gz QCDINXLCZGIIRE-CHWSQXEVSA-N 0 0 305.378 0.782 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000175678642 186187137 /nfs/dbraw/zinc/18/71/37/186187137.db2.gz PMMBYKDVYZKBPX-GXTWGEPZSA-N 0 0 307.398 0.282 10 0 DCAERN Cc1c([C@H](C)NC(=O)CNC(=O)c2ccccn2)cnn1C ZINC000172509422 198107707 /nfs/dbraw/zinc/10/77/07/198107707.db2.gz YJNKOBOOFYOVPE-JTQLQIEISA-N 0 0 301.350 0.731 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000172517459 198108877 /nfs/dbraw/zinc/10/88/77/198108877.db2.gz IXNMZOQEGOTLSQ-KGLIPLIRSA-N 0 0 303.362 0.981 10 0 DCAERN CCc1nc2nnc3c(ccn(CCc4c[nH]cn4)c3=O)n2n1 ZINC000072466716 191174840 /nfs/dbraw/zinc/17/48/40/191174840.db2.gz NJEWMULOCZVLLR-UHFFFAOYSA-N 0 0 310.321 0.362 10 0 DCAERN CCN(CCO)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173426553 198213619 /nfs/dbraw/zinc/21/36/19/198213619.db2.gz OHERPAQWVCXXND-LBPRGKRZSA-N 0 0 322.413 0.511 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000173476891 198218160 /nfs/dbraw/zinc/21/81/60/198218160.db2.gz KGWXAVIMKLZBLV-GWCFXTLKSA-N 0 0 324.402 0.687 10 0 DCAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000173508579 198222533 /nfs/dbraw/zinc/22/25/33/198222533.db2.gz HRCBEDZBNSCTHR-QWHCGFSZSA-N 0 0 316.357 0.910 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173801393 198253800 /nfs/dbraw/zinc/25/38/00/198253800.db2.gz NEGRTSNXJCGMKB-BXUZGUMPSA-N 0 0 306.410 0.830 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173801406 198254125 /nfs/dbraw/zinc/25/41/25/198254125.db2.gz NEGRTSNXJCGMKB-FZMZJTMJSA-N 0 0 306.410 0.830 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173837488 198258688 /nfs/dbraw/zinc/25/86/88/198258688.db2.gz YPKATDLIOMASIN-IAQYHMDHSA-N 0 0 306.410 0.748 10 0 DCAERN COc1ncccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173861870 198261827 /nfs/dbraw/zinc/26/18/27/198261827.db2.gz OFGFQJUFHXEVGC-OCCSQVGLSA-N 0 0 305.378 0.883 10 0 DCAERN Cc1cccc(OCCC(=O)N[C@H]2CCC(=O)NC2=O)c1C ZINC000174270616 198312632 /nfs/dbraw/zinc/31/26/32/198312632.db2.gz IIAYUZUBVMWEJR-LBPRGKRZSA-N 0 0 304.346 0.994 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185264175 290999926 /nfs/dbraw/zinc/99/99/26/290999926.db2.gz HAADGLBUMRLSRE-VIFPVBQESA-N 0 0 308.363 0.227 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)CCC1=O ZINC000175166412 198438327 /nfs/dbraw/zinc/43/83/27/198438327.db2.gz ACMOJQZRIXULLL-NWDGAFQWSA-N 0 0 306.370 0.245 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC(C)(C)C[C@@H](C)O)cn1 ZINC000175550196 198490432 /nfs/dbraw/zinc/49/04/32/198490432.db2.gz ZWQFLVTYMLGOMJ-SNVBAGLBSA-N 0 0 311.386 0.548 10 0 DCAERN CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014540 283047977 /nfs/dbraw/zinc/04/79/77/283047977.db2.gz IAMSSWBHTQAJAF-OCCSQVGLSA-N 0 0 320.784 0.888 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000247074054 283072388 /nfs/dbraw/zinc/07/23/88/283072388.db2.gz OLANFOBXXCHDKA-OLZOCXBDSA-N 0 0 305.444 0.226 10 0 DCAERN COCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000080659320 192180281 /nfs/dbraw/zinc/18/02/81/192180281.db2.gz PXYGLPRETMBKOI-LLVKDONJSA-N 0 0 309.370 0.170 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408238266 291061968 /nfs/dbraw/zinc/06/19/68/291061968.db2.gz UCAZAZHXIGHWTQ-GHMZBOCLSA-N 0 0 308.400 0.224 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCc2c1cccc2F ZINC000183758719 199639111 /nfs/dbraw/zinc/63/91/11/199639111.db2.gz IVWOJIFRKCMJFJ-UHFFFAOYSA-N 0 0 300.355 0.996 10 0 DCAERN CC(=O)OC[C@H]1O[C@H](F)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077292607 191688752 /nfs/dbraw/zinc/68/87/52/191688752.db2.gz OZIWIFNLCSFOGJ-OOCWMUITSA-N 0 0 310.249 0.445 10 0 in-vitro DCAERN COc1cc(OC)c(S(=O)(=O)CCO)cc1NC(C)=O ZINC000005160584 181212145 /nfs/dbraw/zinc/21/21/45/181212145.db2.gz ATBMYJLQRLENFC-UHFFFAOYSA-N 0 0 303.336 0.428 10 0 DCAERN Cc1nnsc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000005239300 181220283 /nfs/dbraw/zinc/22/02/83/181220283.db2.gz GCUNMTWGAMEBAK-UHFFFAOYSA-N 0 0 312.376 0.424 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@H]1CCCCO1 ZINC000081073390 192223085 /nfs/dbraw/zinc/22/30/85/192223085.db2.gz NMTWBYDDDKLVOG-NEPJUHHUSA-N 0 0 314.411 0.910 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)cn1 ZINC000177614240 198751309 /nfs/dbraw/zinc/75/13/09/198751309.db2.gz UOTPWDNVIANMEA-AAEUAGOBSA-N 0 0 317.393 0.682 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000177693423 198761935 /nfs/dbraw/zinc/76/19/35/198761935.db2.gz IHGNYSBWVCXGJD-UHFFFAOYSA-N 0 0 310.375 0.823 10 0 DCAERN O=C([O-])CCn1c(=O)c2ccccc2nc1N1CCC[NH2+]CC1 ZINC000040351842 304064777 /nfs/dbraw/zinc/06/47/77/304064777.db2.gz IELTYRNARUFBRH-UHFFFAOYSA-N 0 0 316.361 0.671 10 0 DCAERN CCC(CC)(CO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178994063 198965568 /nfs/dbraw/zinc/96/55/68/198965568.db2.gz GKUVDRJATUWKOM-UHFFFAOYSA-N 0 0 314.407 0.863 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCCC[C@H]1CO ZINC000179252494 199005745 /nfs/dbraw/zinc/00/57/45/199005745.db2.gz QSEVXYDGOIFVTL-DZGCQCFKSA-N 0 0 320.389 0.849 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000179353568 199020321 /nfs/dbraw/zinc/02/03/21/199020321.db2.gz IKFLNWHBMKDZQH-GFCCVEGCSA-N 0 0 310.423 0.690 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000179366795 199021937 /nfs/dbraw/zinc/02/19/37/199021937.db2.gz KLGPLYHDAMEWON-GFCCVEGCSA-N 0 0 317.349 0.653 10 0 DCAERN Cc1c(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000179335326 199017321 /nfs/dbraw/zinc/01/73/21/199017321.db2.gz WRZYENPRHKXHQC-IUODEOHRSA-N 0 0 321.425 0.591 10 0 DCAERN COC(=O)C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccccc1 ZINC000179399366 199029689 /nfs/dbraw/zinc/02/96/89/199029689.db2.gz XOJUCHGDZBRBNV-GFCCVEGCSA-N 0 0 318.333 0.002 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(O)cc2O)C[C@H]1N1CCOCC1 ZINC000179524247 199050467 /nfs/dbraw/zinc/05/04/67/199050467.db2.gz ZCRZKFUXOLEWLN-SMDDNHRTSA-N 0 0 306.362 0.891 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000179766581 199078107 /nfs/dbraw/zinc/07/81/07/199078107.db2.gz RYHGZAAJVBASOE-NWDGAFQWSA-N 0 0 321.377 0.300 10 0 DCAERN CCc1nnc(CSCc2cc(=O)n(C)c(=O)n2C)n1C ZINC000179809158 199082906 /nfs/dbraw/zinc/08/29/06/199082906.db2.gz JUWVHDAJRPDMRA-UHFFFAOYSA-N 0 0 309.395 0.208 10 0 DCAERN CCc1noc2ncc(C(=O)N3CCOC[C@@H]3C(N)=O)cc12 ZINC000180186752 199128129 /nfs/dbraw/zinc/12/81/29/199128129.db2.gz MOSRNSAMKPMXHL-LLVKDONJSA-N 0 0 304.306 0.112 10 0 DCAERN CCCCCOCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000180307214 199143796 /nfs/dbraw/zinc/14/37/96/199143796.db2.gz LWUHFCGMYXPCNN-LBPRGKRZSA-N 0 0 306.428 0.686 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1=O ZINC000180407206 199155202 /nfs/dbraw/zinc/15/52/02/199155202.db2.gz JNWAPCHUUGUHBP-CHWSQXEVSA-N 0 0 322.409 0.970 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417801 199156233 /nfs/dbraw/zinc/15/62/33/199156233.db2.gz XTHNWSNYEFZDHB-NEPJUHHUSA-N 0 0 307.398 0.137 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1F ZINC000180587842 199180696 /nfs/dbraw/zinc/18/06/96/199180696.db2.gz WDAUNHDCGGOZKC-LLVKDONJSA-N 0 0 309.341 0.519 10 0 DCAERN O=C(NCc1ccc(Cl)cn1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000180855416 199218832 /nfs/dbraw/zinc/21/88/32/199218832.db2.gz GRJLZLOOTPCJDL-LLVKDONJSA-N 0 0 309.757 0.654 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000280841056 215907902 /nfs/dbraw/zinc/90/79/02/215907902.db2.gz CGJHHRPWXBIUNU-UHFFFAOYSA-N 0 0 324.189 0.884 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cnn1C ZINC000152633372 237008434 /nfs/dbraw/zinc/00/84/34/237008434.db2.gz GXFTXBSNUOTBFB-VHSXEESVSA-N 0 0 302.400 0.172 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2(C)CC2)CC1 ZINC000157265482 237058631 /nfs/dbraw/zinc/05/86/31/237058631.db2.gz NOARAMQLIFQLIY-CYBMUJFWSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159202561 237072044 /nfs/dbraw/zinc/07/20/44/237072044.db2.gz UUMYDOJIEKPFHE-GHMZBOCLSA-N 0 0 307.354 0.272 10 0 DCAERN CCC1(CC)CN(C(=O)CCCS(C)(=O)=O)CC[S@]1=O ZINC000186736967 200000019 /nfs/dbraw/zinc/00/00/19/200000019.db2.gz DZGAENPLRGARFT-LJQANCHMSA-N 0 0 323.480 0.961 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)C[C@@H](C)O1 ZINC000162439214 237108335 /nfs/dbraw/zinc/10/83/35/237108335.db2.gz CQMFUZMKFUSEMN-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000163684431 237115757 /nfs/dbraw/zinc/11/57/57/237115757.db2.gz OFZTUDIDAXHMJJ-WPRPVWTQSA-N 0 0 322.365 0.596 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)[C@H](C)CO1 ZINC000173030526 237152827 /nfs/dbraw/zinc/15/28/27/237152827.db2.gz MZUGMGDYRXDSSU-UPJWGTAASA-N 0 0 318.439 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCn2cccn2)[C@H](C)CO1 ZINC000173138652 237154795 /nfs/dbraw/zinc/15/47/95/237154795.db2.gz YWEXDTZGXMGMQH-VXGBXAGGSA-N 0 0 302.400 0.169 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000280996360 216012451 /nfs/dbraw/zinc/01/24/51/216012451.db2.gz PEJKJRPTHKYEJI-UHFFFAOYSA-N 0 0 312.395 0.737 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187267537 200085799 /nfs/dbraw/zinc/08/57/99/200085799.db2.gz OKFABDMASJHBHT-LBPRGKRZSA-N 0 0 305.378 0.784 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCO)[C@H](C)C2)c1C ZINC000187291534 200089588 /nfs/dbraw/zinc/08/95/88/200089588.db2.gz FHILUUTVMRPBLZ-SNVBAGLBSA-N 0 0 307.394 0.973 10 0 DCAERN C[C@@H]1CC(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H](C)O1 ZINC000182090116 237273315 /nfs/dbraw/zinc/27/33/15/237273315.db2.gz DGIPBMQBPCUYHW-MHDGFBEUSA-N 0 0 312.410 0.942 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H](O)[C@H](C)C2)cc1 ZINC000186722122 237321578 /nfs/dbraw/zinc/32/15/78/237321578.db2.gz BRTUZODHGYQUHS-RISCZKNCSA-N 0 0 306.362 0.654 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186828855 237327201 /nfs/dbraw/zinc/32/72/01/237327201.db2.gz DIESNJLVTVBDAU-NEPJUHHUSA-N 0 0 306.362 0.635 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000187082500 237336869 /nfs/dbraw/zinc/33/68/69/237336869.db2.gz LUHWIYPEMAJBFG-SECBINFHSA-N 0 0 300.318 0.226 10 0 DCAERN COCCN1CCN(C(=O)NCc2cc(C(N)=O)co2)C[C@H]1C ZINC000188013174 237365035 /nfs/dbraw/zinc/36/50/35/237365035.db2.gz MFHQGRFGTIFYGW-LLVKDONJSA-N 0 0 324.381 0.241 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000188515617 237372564 /nfs/dbraw/zinc/37/25/64/237372564.db2.gz HWZIVPRDPHXJSB-MRVPVSSYSA-N 0 0 314.392 0.160 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](C)[C@H]2CO)cc1 ZINC000189462866 237398659 /nfs/dbraw/zinc/39/86/59/237398659.db2.gz VGUMITKULFUWPI-BXUZGUMPSA-N 0 0 306.362 0.654 10 0 DCAERN C[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@H](CO)O1 ZINC000187951305 200181801 /nfs/dbraw/zinc/18/18/01/200181801.db2.gz ASPBDRUNZKTJRH-WDEREUQCSA-N 0 0 311.382 0.908 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cnc12 ZINC000189265729 237394714 /nfs/dbraw/zinc/39/47/14/237394714.db2.gz WZSBINAHELEYQX-NWDGAFQWSA-N 0 0 319.361 0.207 10 0 DCAERN O=S(=O)(CCc1cccs1)NC[C@]1(CCO)CCOC1 ZINC000192026908 237460068 /nfs/dbraw/zinc/46/00/68/237460068.db2.gz BXEGPLGLYXODAX-ZDUSSCGKSA-N 0 0 319.448 0.999 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188692650 200289091 /nfs/dbraw/zinc/28/90/91/200289091.db2.gz YYWDNXDHZWHUEG-GFCCVEGCSA-N 0 0 309.410 0.867 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)cc1F ZINC000188727904 200296247 /nfs/dbraw/zinc/29/62/47/200296247.db2.gz MKGKTTHTUXLLFL-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCN(CCO)[C@H](C)C2)cs1 ZINC000188713850 200292180 /nfs/dbraw/zinc/29/21/80/200292180.db2.gz GCBZMJGKBWCEGR-SECBINFHSA-N 0 0 312.395 0.240 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000154013376 291210300 /nfs/dbraw/zinc/21/03/00/291210300.db2.gz GHNVKNZVSVZEKF-UHFFFAOYSA-N 0 0 317.411 0.890 10 0 DCAERN Cn1ncc2c1nnn(CC(=O)Nc1ccccc1F)c2=O ZINC000154451757 291213824 /nfs/dbraw/zinc/21/38/24/291213824.db2.gz NKDYXXRSPHFZMO-UHFFFAOYSA-N 0 0 302.269 0.303 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000155386953 291219699 /nfs/dbraw/zinc/21/96/99/291219699.db2.gz GRRIFPMBIIYVOH-ZIAGYGMSSA-N 0 0 313.419 0.854 10 0 DCAERN COCCCOc1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000155806963 291221653 /nfs/dbraw/zinc/22/16/53/291221653.db2.gz MPSOCVMLQLRMKE-CYBMUJFWSA-N 0 0 306.362 0.854 10 0 DCAERN O=S(=O)(NCC1(CCO)CC1)c1ccc2c(c1)OCCO2 ZINC000157293700 291227818 /nfs/dbraw/zinc/22/78/18/291227818.db2.gz CJDUYNRXKRCNIT-UHFFFAOYSA-N 0 0 313.375 0.899 10 0 DCAERN CCN(Cc1nsc(N(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000157424288 291228777 /nfs/dbraw/zinc/22/87/77/291228777.db2.gz LOOMJQPSUBMJQH-SECBINFHSA-N 0 0 304.441 0.613 10 0 DCAERN COCCS(=O)(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000158107402 291230496 /nfs/dbraw/zinc/23/04/96/291230496.db2.gz BNOWGVDUBVOJPM-LLVKDONJSA-N 0 0 310.379 0.894 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000158317493 291230983 /nfs/dbraw/zinc/23/09/83/291230983.db2.gz LVXBCCJLNKSZLB-QWHCGFSZSA-N 0 0 324.425 0.553 10 0 DCAERN CCC[C@H](C(=O)NCCCN(CC)S(C)(=O)=O)[NH+](C)C ZINC000161696526 291242070 /nfs/dbraw/zinc/24/20/70/291242070.db2.gz ACTNDKIDWFPLAS-GFCCVEGCSA-N 0 0 307.460 0.505 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000271920079 209324117 /nfs/dbraw/zinc/32/41/17/209324117.db2.gz KDNTWUUOLDIOIR-KPXOXKRLSA-N 0 0 318.381 0.584 10 0 DCAERN O=S(=O)(Cc1ncc(Cl)cc1Cl)C[C@H](O)CO ZINC000163485174 291246567 /nfs/dbraw/zinc/24/65/67/291246567.db2.gz GRGFCWDNMRBUKD-SSDOTTSWSA-N 0 0 300.163 0.656 10 0 DCAERN CN(C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CCC1 ZINC000281374280 216256987 /nfs/dbraw/zinc/25/69/87/216256987.db2.gz AEQYRRDAWYKMJZ-GFCCVEGCSA-N 0 0 319.409 0.943 10 0 DCAERN Cc1ccc(NC(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)nc1 ZINC000275897977 238314229 /nfs/dbraw/zinc/31/42/29/238314229.db2.gz IDVQVJRYRJIGHP-GFCCVEGCSA-N 0 0 321.381 0.040 10 0 DCAERN CNC(=O)CCCN(C)C(=O)NCc1cccnc1N(C)C ZINC000163680130 291247148 /nfs/dbraw/zinc/24/71/48/291247148.db2.gz LJUMDZMRIHIGIW-UHFFFAOYSA-N 0 0 307.398 0.815 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189770171 291248283 /nfs/dbraw/zinc/24/82/83/291248283.db2.gz XUHMKXSWHJDSFC-ABAIWWIYSA-N 0 0 304.346 0.906 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281468856 216323380 /nfs/dbraw/zinc/32/33/80/216323380.db2.gz HXODQJUSWBHWFM-IJLUTSLNSA-N 0 0 305.382 0.457 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)o1 ZINC000408396932 239268449 /nfs/dbraw/zinc/26/84/49/239268449.db2.gz VIUXPUABUADFJZ-QWRGUYRKSA-N 0 0 302.396 0.664 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)NCC(=O)NC(C)C)ccc2o1 ZINC000091191187 193017060 /nfs/dbraw/zinc/01/70/60/193017060.db2.gz VMYQDIXBPOWZCY-UHFFFAOYSA-N 0 0 318.333 0.716 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1([S@@](C)=O)CC1 ZINC000442934678 240551495 /nfs/dbraw/zinc/55/14/95/240551495.db2.gz LKDPJLDRSRETTD-WSVYEEACSA-N 0 0 308.403 0.832 10 0 DCAERN O=S(=O)(N1C[C@H](F)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000444277392 240563456 /nfs/dbraw/zinc/56/34/56/240563456.db2.gz LRRYIBLDUXOOAX-ZIAGYGMSSA-N 0 0 314.382 0.694 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091779006 193106160 /nfs/dbraw/zinc/10/61/60/193106160.db2.gz GEJKDRVVYOBXDR-NSHDSACASA-N 0 0 312.753 0.604 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000091782226 193106734 /nfs/dbraw/zinc/10/67/34/193106734.db2.gz HMRGJCFZRSQIMU-NSHDSACASA-N 0 0 316.329 0.770 10 0 DCAERN Cc1ccccc1OCCCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781003 193106970 /nfs/dbraw/zinc/10/69/70/193106970.db2.gz WRJKZBUVYZTDRS-CYBMUJFWSA-N 0 0 306.362 0.867 10 0 DCAERN COc1cccc([C@H](C)CC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784446 193107424 /nfs/dbraw/zinc/10/74/24/193107424.db2.gz NBLNERCGLCVPRJ-BXUZGUMPSA-N 0 0 306.362 0.902 10 0 DCAERN COc1ccc(CCC(=O)N2CCOC[C@H]2C(N)=O)cc1F ZINC000091784376 193107640 /nfs/dbraw/zinc/10/76/40/193107640.db2.gz VTSKISXISCXOJU-LBPRGKRZSA-N 0 0 310.325 0.480 10 0 DCAERN NC(=O)C1(CNC(=O)c2ccnc3ccncc32)CCOCC1 ZINC000567418665 291354408 /nfs/dbraw/zinc/35/44/08/291354408.db2.gz RJNWAWWCYAKFTH-UHFFFAOYSA-N 0 0 314.345 0.642 10 0 DCAERN Cn1cc(OCC(=O)Nc2cccc(N3CCNC3=O)c2)cn1 ZINC000567488788 291357961 /nfs/dbraw/zinc/35/79/61/291357961.db2.gz GWQLKTGDIKSVII-UHFFFAOYSA-N 0 0 315.333 0.967 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2CO)c1 ZINC000456792757 240935962 /nfs/dbraw/zinc/93/59/62/240935962.db2.gz BKPHXCFDWQJNCL-DGCLKSJQSA-N 0 0 312.391 0.486 10 0 DCAERN O=C(NCCOc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000457442200 241005221 /nfs/dbraw/zinc/00/52/21/241005221.db2.gz ROUQYNUDLBRANL-GFCCVEGCSA-N 0 0 305.338 0.017 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccnnc2)CC1 ZINC000459617389 241059529 /nfs/dbraw/zinc/05/95/29/241059529.db2.gz KOMNHJZYFAOUJF-UHFFFAOYSA-N 0 0 307.354 0.578 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000275314679 212266373 /nfs/dbraw/zinc/26/63/73/212266373.db2.gz BWYZTBOBTRJCLI-RRFJBIMHSA-N 0 0 305.378 0.749 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CN2CSCC2=O)cn1 ZINC000275301136 212258182 /nfs/dbraw/zinc/25/81/82/212258182.db2.gz BSSSZOBKUVGMLC-SMDDNHRTSA-N 0 0 324.406 0.289 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCCSCC1 ZINC000567941753 291392799 /nfs/dbraw/zinc/39/27/99/291392799.db2.gz HSFAHRYHEFGKPS-JTQLQIEISA-N 0 0 309.395 0.195 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC2CCS(=O)CC2)C1 ZINC000408200219 284018441 /nfs/dbraw/zinc/01/84/41/284018441.db2.gz ASTZTZUMIVTGJO-PXWBOVHXSA-N 0 0 301.408 0.993 10 0 DCAERN NC(=O)[C@H]1COCCN1CCCc1nc(-c2ccccc2)no1 ZINC000092229754 193177152 /nfs/dbraw/zinc/17/71/52/193177152.db2.gz YDLBVFZHSQNTBI-CYBMUJFWSA-N 0 0 316.361 0.855 10 0 DCAERN COCCCOc1cccc([C@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093883115 193322516 /nfs/dbraw/zinc/32/25/16/193322516.db2.gz MIIGESOCHWXDLP-CABCVRRESA-N 0 0 306.362 0.931 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(-n2cnnn2)cc1 ZINC000176133635 284191474 /nfs/dbraw/zinc/19/14/74/284191474.db2.gz CDJKTEPBHPJVJC-LBPRGKRZSA-N 0 0 310.321 0.519 10 0 DCAERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1COCCN1 ZINC000237783127 284197829 /nfs/dbraw/zinc/19/78/29/284197829.db2.gz JKAAQWOMNDYHRY-GWCFXTLKSA-N 0 0 311.332 0.648 10 0 DCAERN COCC(=O)N1CCC2(C[C@@H](c3cnn(C)c3)C(=O)N2)CC1 ZINC000096069632 193520184 /nfs/dbraw/zinc/52/01/84/193520184.db2.gz OWZXELZEXDAAQY-LBPRGKRZSA-N 0 0 306.366 0.031 10 0 DCAERN CNC(=O)CO[C@H]1COC2(C1)CCN(c1ccc(C)nn1)CC2 ZINC000096073127 193523711 /nfs/dbraw/zinc/52/37/11/193523711.db2.gz AVJBKBSTZCFZTF-CYBMUJFWSA-N 0 0 320.393 0.676 10 0 DCAERN COC[C@H]1Cn2ncnc2CN(C(=O)c2cccc(C)n2)C1 ZINC000096189198 193569610 /nfs/dbraw/zinc/56/96/10/193569610.db2.gz FDFYYOSHJWAONH-GFCCVEGCSA-N 0 0 301.350 0.900 10 0 DCAERN CC(=O)N1CC[C@@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]21 ZINC000096186593 193566883 /nfs/dbraw/zinc/56/68/83/193566883.db2.gz AUGJXZHUFJOHSV-KKUMJFAQSA-N 0 0 303.362 0.818 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408059981 284216681 /nfs/dbraw/zinc/21/66/81/284216681.db2.gz RJPNINAQSHGJJB-PEDHHIEDSA-N 0 0 310.394 0.506 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000365961831 284258409 /nfs/dbraw/zinc/25/84/09/284258409.db2.gz MELPQRGRGDKLPG-AGIUHOORSA-N 0 0 318.439 0.684 10 0 DCAERN O=S(=O)(CC1CC1)NCc1ccnc(N2CCOCC2)c1 ZINC000265090804 204391417 /nfs/dbraw/zinc/39/14/17/204391417.db2.gz MZJPERPNZFJZRI-UHFFFAOYSA-N 0 0 311.407 0.748 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000191146347 284321310 /nfs/dbraw/zinc/32/13/10/284321310.db2.gz PKNQFBQEPBCZSS-MNOVXSKESA-N 0 0 322.413 0.841 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC(=O)N1C ZINC000282797764 217258005 /nfs/dbraw/zinc/25/80/05/217258005.db2.gz RQGQETLKDQOGDE-SNVBAGLBSA-N 0 0 319.365 0.478 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC000408254908 291562200 /nfs/dbraw/zinc/56/22/00/291562200.db2.gz FZDIFPUPEQBHMZ-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN CCN1CN(C(=O)NCCC(=O)NC2CCCCC2)CC1=O ZINC000189774113 335024041 /nfs/dbraw/zinc/02/40/41/335024041.db2.gz RHBHNRRCKRLQSL-UHFFFAOYSA-N 0 0 310.398 0.657 10 0 DCAERN CCOc1ccccc1N=C(CC(=O)OC)C(=O)NCCO ZINC000021946243 182299476 /nfs/dbraw/zinc/29/94/76/182299476.db2.gz UGQYYRRFZYTFHP-BENRWUELSA-N 0 0 308.334 0.663 10 0 DCAERN O=C(C1CN(CC(F)(F)F)C1)N1CCC[C@H]1Cn1ccnn1 ZINC000573748728 291653330 /nfs/dbraw/zinc/65/33/30/291653330.db2.gz RTFVXFGVHWRJMX-NSHDSACASA-N 0 0 317.315 0.763 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000037926634 182938311 /nfs/dbraw/zinc/93/83/11/182938311.db2.gz TTYGGTLHWWPVBL-UHFFFAOYSA-N 0 0 308.381 0.317 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@@H](CC(C)C)NC(N)=O ZINC000038019898 182966348 /nfs/dbraw/zinc/96/63/48/182966348.db2.gz NNQNQEOEFZCLPH-LLVKDONJSA-N 0 0 301.387 0.871 10 0 DCAERN CCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000038085884 182987831 /nfs/dbraw/zinc/98/78/31/182987831.db2.gz UKIRMKLAVRJMNV-UHFFFAOYSA-N 0 0 311.356 0.287 10 0 DCAERN CCCC(=O)NCC(=O)NCC(=O)N1CCc2ccccc21 ZINC000101881280 193845994 /nfs/dbraw/zinc/84/59/94/193845994.db2.gz NWRVFANRJJNHKR-UHFFFAOYSA-N 0 0 303.362 0.608 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2N)CC1 ZINC000040319135 183054160 /nfs/dbraw/zinc/05/41/60/183054160.db2.gz AYGMBHQJFANDBP-UHFFFAOYSA-N 0 0 311.407 0.758 10 0 DCAERN CCN(CC)C(=O)CN1CCc2c(sc(N)c2C(N)=O)C1 ZINC000041583049 183207145 /nfs/dbraw/zinc/20/71/45/183207145.db2.gz QRBIORDIKONLRJ-UHFFFAOYSA-N 0 0 310.423 0.656 10 0 DCAERN CC(=O)N[C@@H]1[C@@H](O)[C@H](F)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000044699120 183433997 /nfs/dbraw/zinc/43/39/97/183433997.db2.gz HAJHAJQQMKGKKF-QRTUWBSPSA-N 0 0 313.325 0.124 10 0 DCAERN CN(Cc1nccn1C(F)F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104797619 194040871 /nfs/dbraw/zinc/04/08/71/194040871.db2.gz YNTLYWXCSVDCNT-JTQLQIEISA-N 0 0 317.340 0.750 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104797579 194041212 /nfs/dbraw/zinc/04/12/12/194041212.db2.gz NJHQWKBIRDKFEP-GJZGRUSLSA-N 0 0 307.394 0.658 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2ccc(F)cc2)C1 ZINC000104797727 194042049 /nfs/dbraw/zinc/04/20/49/194042049.db2.gz YLEPMXGHYFJEOH-KGLIPLIRSA-N 0 0 311.357 0.489 10 0 DCAERN O=C(NCCc1cn2ccccc2n1)N1CCNC(=O)CC1 ZINC000105101336 194073070 /nfs/dbraw/zinc/07/30/70/194073070.db2.gz GQAXCXGEMFOGOA-UHFFFAOYSA-N 0 0 301.350 0.408 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)C3(O)CCCC3)CC2)cn1 ZINC000105875060 194152883 /nfs/dbraw/zinc/15/28/83/194152883.db2.gz KSHNWAMBNSVOSF-UHFFFAOYSA-N 0 0 306.410 0.760 10 0 DCAERN C[C@@H](NC[C@@H]1CN(C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932401 194172964 /nfs/dbraw/zinc/17/29/64/194172964.db2.gz QMRGDOUKUPOJJG-TZMCWYRMSA-N 0 0 302.382 0.644 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000106458613 194217417 /nfs/dbraw/zinc/21/74/17/194217417.db2.gz SEOGOWXMUJTFGW-CQSZACIVSA-N 0 0 315.377 0.480 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000106744597 194248522 /nfs/dbraw/zinc/24/85/22/194248522.db2.gz RLBGXXMRPPRCMY-GXTWGEPZSA-N 0 0 319.409 0.964 10 0 DCAERN Cn1c2ccc(Cl)cc2nc1NC(=O)CN1CC(=O)NC1=O ZINC000109959881 194301303 /nfs/dbraw/zinc/30/13/03/194301303.db2.gz HAWUIWCKLRFXJB-UHFFFAOYSA-N 0 0 321.724 0.717 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673480 194348088 /nfs/dbraw/zinc/34/80/88/194348088.db2.gz OCDVIIQNEFRGMO-NEPJUHHUSA-N 0 0 310.423 0.559 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000110901446 194367855 /nfs/dbraw/zinc/36/78/55/194367855.db2.gz RIOQSMGPVPUYLN-AWEZNQCLSA-N 0 0 322.409 0.644 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2c1cccc2F)N1CCOCC1 ZINC000057020576 184025158 /nfs/dbraw/zinc/02/51/58/184025158.db2.gz LGBYSDQHUWLMDJ-CYBMUJFWSA-N 0 0 300.355 0.980 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1CCCSCC1 ZINC000060847001 184156435 /nfs/dbraw/zinc/15/64/35/184156435.db2.gz JKZONEDALLVQEL-UHFFFAOYSA-N 0 0 304.375 0.757 10 0 DCAERN COCCn1cc(S(=O)(=O)N2CCOCC[C@@H]2C)cn1 ZINC000362262109 262016214 /nfs/dbraw/zinc/01/62/14/262016214.db2.gz ROCOTRSULBMWIA-NSHDSACASA-N 0 0 303.384 0.329 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H](C)O)c2)no1 ZINC000064574735 184300538 /nfs/dbraw/zinc/30/05/38/184300538.db2.gz BWHZLDWEGKXBLT-MRVPVSSYSA-N 0 0 304.306 0.481 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112654215 194497888 /nfs/dbraw/zinc/49/78/88/194497888.db2.gz TYUQEXBSSGEJNK-CYBMUJFWSA-N 0 0 313.361 0.725 10 0 DCAERN CN(C)c1cccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116982220 194789890 /nfs/dbraw/zinc/78/98/90/194789890.db2.gz DWRZJWYKUZTORP-LBPRGKRZSA-N 0 0 311.407 0.516 10 0 DCAERN CC(C)(C)n1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cn1 ZINC000073107094 252584781 /nfs/dbraw/zinc/58/47/81/252584781.db2.gz BLINNLYCZLZDLV-UHFFFAOYSA-N 0 0 307.354 0.907 10 0 DCAERN CC(C)CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086431499 252588101 /nfs/dbraw/zinc/58/81/01/252588101.db2.gz BHRVYXUHMTWCMH-UHFFFAOYSA-N 0 0 302.338 0.763 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cnn1C ZINC000176637737 252603291 /nfs/dbraw/zinc/60/32/91/252603291.db2.gz IOCPEHLSKBHSES-UHFFFAOYSA-N 0 0 316.365 0.796 10 0 DCAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000333175950 252689790 /nfs/dbraw/zinc/68/97/90/252689790.db2.gz LLTFWONXIAEECN-LBPRGKRZSA-N 0 0 313.427 0.319 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000333176636 252690016 /nfs/dbraw/zinc/69/00/16/252690016.db2.gz OVDNCCQKKNJBAP-UONOGXRCSA-N 0 0 321.402 0.582 10 0 DCAERN CC(C)N1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333429223 252721805 /nfs/dbraw/zinc/72/18/05/252721805.db2.gz NGIMPHKECBUEMO-IJLUTSLNSA-N 0 0 304.412 0.483 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333453285 252725015 /nfs/dbraw/zinc/72/50/15/252725015.db2.gz ZCNOPNBRQHUEDP-RSXIPKFTSA-N 0 0 321.381 0.216 10 0 DCAERN C[C@H]1CN(c2cnc3c(n2)CCCC3)CCN1S(C)(=O)=O ZINC000333919556 252775852 /nfs/dbraw/zinc/77/58/52/252775852.db2.gz PFSSPPMRAAAZFP-NSHDSACASA-N 0 0 310.423 0.826 10 0 DCAERN C[C@H](O)[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1 ZINC000334049256 252788160 /nfs/dbraw/zinc/78/81/60/252788160.db2.gz RCDFXSKLLDEGHC-XQLPTFJDSA-N 0 0 312.410 0.238 10 0 DCAERN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000408334523 291841328 /nfs/dbraw/zinc/84/13/28/291841328.db2.gz BFSBEZSMBCDYNX-NWDGAFQWSA-N 0 0 317.407 0.505 10 0 DCAERN CC(=O)C1(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000339125899 253034219 /nfs/dbraw/zinc/03/42/19/253034219.db2.gz DLKSPUIWZVRSIT-LBPRGKRZSA-N 0 0 306.337 0.955 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC000408111127 291858110 /nfs/dbraw/zinc/85/81/10/291858110.db2.gz ZZTFMEKCRCQNNQ-MNOVXSKESA-N 0 0 317.407 0.611 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCOc2ccccc2F)C1 ZINC000286337002 218926333 /nfs/dbraw/zinc/92/63/33/218926333.db2.gz XFDPNRJOHGYILY-JQWIXIFHSA-N 0 0 310.325 0.696 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000343177837 253611874 /nfs/dbraw/zinc/61/18/74/253611874.db2.gz XQCFOZNKIVOZGI-NEPJUHHUSA-N 0 0 317.411 0.888 10 0 DCAERN COC[C@H](O)CN(C)c1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000302672100 533113681 /nfs/dbraw/zinc/11/36/81/533113681.db2.gz KZDCORMOWKJKER-ZCFIWIBFSA-N 0 0 305.260 0.815 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000346370722 254043385 /nfs/dbraw/zinc/04/33/85/254043385.db2.gz PZDYQLFIKRONBR-KBPBESRZSA-N 0 0 310.369 0.895 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)NC[C@@]1(CCO)CCOC1 ZINC000119246065 220445319 /nfs/dbraw/zinc/44/53/19/220445319.db2.gz ALZCKCLOJCLCHP-MRXNPFEDSA-N 0 0 324.352 0.461 10 0 DCAERN Cc1c(C(=O)N2C[C@H](F)C[C@@H]2C(N)=O)nnn1CC1CCCC1 ZINC000347248230 254142154 /nfs/dbraw/zinc/14/21/54/254142154.db2.gz DVLWNANOAZZWKK-VXGBXAGGSA-N 0 0 323.372 0.815 10 0 DCAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(F)cn2)C1=O ZINC000347560648 254167688 /nfs/dbraw/zinc/16/76/88/254167688.db2.gz BNFQKKPEWITDPH-CHWSQXEVSA-N 0 0 306.341 0.983 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)NC[C@@H]2CC[C@@H](CO)O2)c1 ZINC000349671784 254292298 /nfs/dbraw/zinc/29/22/98/254292298.db2.gz UJZKQBBMOUFTFZ-GJZGRUSLSA-N 0 0 320.389 0.635 10 0 DCAERN C[C@@H](CNC(=O)CCCOc1ccccc1)S(N)(=O)=O ZINC000350628065 254321375 /nfs/dbraw/zinc/32/13/75/254321375.db2.gz HNOGZKGRDYPYDK-NSHDSACASA-N 0 0 300.380 0.639 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000352028355 254391465 /nfs/dbraw/zinc/39/14/65/254391465.db2.gz PUPPFDHDAJCGER-QWRGUYRKSA-N 0 0 318.395 0.158 10 0 DCAERN O=c1[nH]c2cc(-c3nc([C@@H]4CN5CCN4CC5)no3)ccc2o1 ZINC000289564701 285198341 /nfs/dbraw/zinc/19/83/41/285198341.db2.gz FMVNHMFYVYUPTN-NSHDSACASA-N 0 0 313.317 0.843 10 0 DCAERN O=c1cc(N2CC[C@H](N3CCOCC3)C2)nc2ccccn12 ZINC000173975848 285219406 /nfs/dbraw/zinc/21/94/06/285219406.db2.gz XJTXHCCEKNGCQT-ZDUSSCGKSA-N 0 0 300.362 0.605 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CC[C@H](CO)[C@@H](O)C1 ZINC000302828515 533164831 /nfs/dbraw/zinc/16/48/31/533164831.db2.gz IUKLMXACDWGRSH-RNCFNFMXSA-N 0 0 307.325 0.957 10 0 DCAERN COc1ccnc(NC[C@H]2CCn3ncc(C(N)=O)c3C2)n1 ZINC000275556127 256625045 /nfs/dbraw/zinc/62/50/45/256625045.db2.gz NQTSKIUSAYAHLK-VIFPVBQESA-N 0 0 302.338 0.455 10 0 DCAERN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccncc1 ZINC000247849694 257116650 /nfs/dbraw/zinc/11/66/50/257116650.db2.gz OEWFFQQWIPEYTM-ZIAGYGMSSA-N 0 0 303.362 0.934 10 0 DCAERN Cc1cnc(C(=O)N2CCC3(CC2)OCC(=O)N[C@H]3C)cn1 ZINC000253601600 257104554 /nfs/dbraw/zinc/10/45/54/257104554.db2.gz UQFDHLYICRDFMQ-NSHDSACASA-N 0 0 304.350 0.295 10 0 DCAERN CSCC[C@@H](CO)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000127086228 533599624 /nfs/dbraw/zinc/59/96/24/533599624.db2.gz PZPFRLDNWMIGLY-TUAOUCFPSA-N 0 0 310.485 0.913 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CCCO3)C2)c1=O ZINC000275537405 130333560 /nfs/dbraw/zinc/33/35/60/130333560.db2.gz FBJVEMYIQLTGFP-VXGBXAGGSA-N 0 0 306.366 0.044 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)n(C)n1 ZINC000278502298 130697557 /nfs/dbraw/zinc/69/75/57/130697557.db2.gz WYDXLVIOFVZJCD-VXGBXAGGSA-N 0 0 305.382 0.092 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CSC3(C)C)C2=O)cn1 ZINC000283673359 131012416 /nfs/dbraw/zinc/01/24/16/131012416.db2.gz SMOARILDIJITCQ-MNOVXSKESA-N 0 0 323.422 0.719 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961399 131036265 /nfs/dbraw/zinc/03/62/65/131036265.db2.gz GNZHIOHRLILDON-HOTGVXAUSA-N 0 0 314.389 0.968 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)o1 ZINC000284411874 131078522 /nfs/dbraw/zinc/07/85/22/131078522.db2.gz DBLNLZHNFZINNL-KOLCDFICSA-N 0 0 302.352 0.160 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2nccn2-c2ccccc2)C1 ZINC000284445576 131081626 /nfs/dbraw/zinc/08/16/26/131081626.db2.gz AVVDJEGTAXAJSU-KBPBESRZSA-N 0 0 300.362 0.947 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284561368 131092387 /nfs/dbraw/zinc/09/23/87/131092387.db2.gz FAILUFYCJNFKKY-NSHDSACASA-N 0 0 305.334 0.901 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)O1 ZINC000284626227 131097572 /nfs/dbraw/zinc/09/75/72/131097572.db2.gz PWHOVEDIYAGZEF-SFYZRTLMSA-N 0 0 320.393 0.261 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)NC3CCCC3)nn2)C[C@H]1C(N)=O ZINC000284647550 131100049 /nfs/dbraw/zinc/10/00/49/131100049.db2.gz OKZZCNFWBWIROS-ZYHUDNBSSA-N 0 0 317.393 0.707 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)ccc1F ZINC000284656491 131101419 /nfs/dbraw/zinc/10/14/19/131101419.db2.gz GQPRMNNCVAFMGY-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2cccc(F)c2)[C@@H]1C(N)=O ZINC000284834194 131114284 /nfs/dbraw/zinc/11/42/84/131114284.db2.gz WCMACJOZEVVOMJ-KCJUWKMLSA-N 0 0 302.327 0.089 10 0 DCAERN Cc1ccc(-n2nnnc2N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000284980278 131127927 /nfs/dbraw/zinc/12/79/27/131127927.db2.gz KYEGHIKZZKDXKC-GJZGRUSLSA-N 0 0 314.393 0.880 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(c2cnccn2)CC(C)(C)O1 ZINC000285018893 131131570 /nfs/dbraw/zinc/13/15/70/131131570.db2.gz MSFFGKCHMDRUJE-LBPRGKRZSA-N 0 0 308.382 0.565 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000285508473 131175232 /nfs/dbraw/zinc/17/52/32/131175232.db2.gz MQJXWMYYLXITLN-WBMJQRKESA-N 0 0 303.362 0.340 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000285563267 131181570 /nfs/dbraw/zinc/18/15/70/131181570.db2.gz PJZAGXOMVGQMKL-INIZCTEOSA-N 0 0 318.377 0.356 10 0 DCAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285641897 131189398 /nfs/dbraw/zinc/18/93/98/131189398.db2.gz UAQFJRKACYUJIF-QGZVFWFLSA-N 0 0 320.389 0.855 10 0 DCAERN CC(C)COCCCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122456778 132166598 /nfs/dbraw/zinc/16/65/98/132166598.db2.gz GTRSEWWRYMFJRU-LBPRGKRZSA-N 0 0 306.428 0.878 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000113130303 132174938 /nfs/dbraw/zinc/17/49/38/132174938.db2.gz OGTPFOYMJULIGG-VXGBXAGGSA-N 0 0 318.439 0.573 10 0 DCAERN CC(C)[C@@H]1NC(=O)[C@H]2CN(Cc3ccccn3)CCN2C1=O ZINC000014538079 395689430 /nfs/dbraw/zinc/68/94/30/395689430.db2.gz NZJKJOCCWJTBMK-KGLIPLIRSA-N 0 0 302.378 0.249 10 0 DCAERN CCn1nc(C)cc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000085683418 395701631 /nfs/dbraw/zinc/70/16/31/395701631.db2.gz SMQZWLDSNVGJMX-JTQLQIEISA-N 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XNPBTMCZFVIISJ-CABCVRRESA-N 0 0 324.421 0.853 10 0 DCAERN O=S1(=O)CC[C@H](CNCc2cnn(-c3ccccc3)n2)C1 ZINC000038083152 395731278 /nfs/dbraw/zinc/73/12/78/395731278.db2.gz GAPJDDHZOIQHCG-GFCCVEGCSA-N 0 0 306.391 0.792 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C[C@@H]1O ZINC000093051709 395735786 /nfs/dbraw/zinc/73/57/86/395735786.db2.gz RXVSPPRVVPNHRA-YGRLFVJLSA-N 0 0 324.402 0.364 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(CC)CC(=O)OC ZINC000042528078 395745906 /nfs/dbraw/zinc/74/59/06/395745906.db2.gz TWDDMVQVHUQGMF-LLVKDONJSA-N 0 0 320.411 0.212 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000194082257 395787570 /nfs/dbraw/zinc/78/75/70/395787570.db2.gz KIPOHVCSYANOPV-GXSJLCMTSA-N 0 0 315.337 0.308 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)C1 ZINC000101564242 395765236 /nfs/dbraw/zinc/76/52/36/395765236.db2.gz HWSBRODJCCNMMN-LLVKDONJSA-N 0 0 321.429 0.401 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000102718678 395771371 /nfs/dbraw/zinc/77/13/71/395771371.db2.gz RMYSUPAADLEARV-UHFFFAOYSA-N 0 0 320.455 0.965 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)N1CCSCC1 ZINC000103467704 395773012 /nfs/dbraw/zinc/77/30/12/395773012.db2.gz PMHACMRCGVRIJG-NSHDSACASA-N 0 0 301.456 0.797 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000193677022 395776782 /nfs/dbraw/zinc/77/67/82/395776782.db2.gz QJLVJZVUQVLQII-UHFFFAOYSA-N 0 0 316.365 0.756 10 0 DCAERN O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193694659 395777417 /nfs/dbraw/zinc/77/74/17/395777417.db2.gz GXICWEGVERULBI-XHNCKOQMSA-N 0 0 304.268 0.792 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000194619075 395802774 /nfs/dbraw/zinc/80/27/74/395802774.db2.gz QOCZBEBIAYKXRF-AWEZNQCLSA-N 0 0 320.389 0.837 10 0 DCAERN COc1ccc(OCCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194631933 395802996 /nfs/dbraw/zinc/80/29/96/395802996.db2.gz OTSXPSXKPZQDEY-HNNXBMFYSA-N 0 0 308.378 0.911 10 0 DCAERN O=C(NCc1ncccn1)[C@H]1CN=C(c2cncnc2)S1 ZINC000118064770 395858218 /nfs/dbraw/zinc/85/82/18/395858218.db2.gz UGZCXCFCOXFLGX-SNVBAGLBSA-N 0 0 300.347 0.445 10 0 DCAERN C[C@H](O)C1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000111288417 395806238 /nfs/dbraw/zinc/80/62/38/395806238.db2.gz QPMAEMLITIJTPB-NSHDSACASA-N 0 0 305.378 0.817 10 0 DCAERN CN1CCO[C@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750007 395806788 /nfs/dbraw/zinc/80/67/88/395806788.db2.gz NCIDSUBLBARGIH-CYBMUJFWSA-N 0 0 309.341 0.002 10 0 DCAERN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CNC(=O)C1 ZINC000194777879 395807367 /nfs/dbraw/zinc/80/73/67/395807367.db2.gz YSFFIVRBBOTYOV-DGCLKSJQSA-N 0 0 313.361 0.923 10 0 DCAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000048112196 395808850 /nfs/dbraw/zinc/80/88/50/395808850.db2.gz FNZNDSFCTKODFY-ZWNOBZJWSA-N 0 0 301.346 0.853 10 0 DCAERN Cc1ccn(CC(=O)N[C@@H](C)c2nnc3n2CCCC3)c(=O)c1 ZINC000194860275 395810325 /nfs/dbraw/zinc/81/03/25/395810325.db2.gz PAVKSGXJSVXRSL-LBPRGKRZSA-N 0 0 315.377 0.962 10 0 DCAERN Cn1c2ccc(CN3CCN4C(=O)NC[C@@H]4C3)cc2sc1=O ZINC000195042791 395814108 /nfs/dbraw/zinc/81/41/08/395814108.db2.gz DGIMKUQUKBZITK-LLVKDONJSA-N 0 0 318.402 0.809 10 0 DCAERN CCc1nnc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049528 395814271 /nfs/dbraw/zinc/81/42/71/395814271.db2.gz LYHRSPNDOCUDEH-CYBMUJFWSA-N 0 0 321.425 0.448 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000048415540 395814807 /nfs/dbraw/zinc/81/48/07/395814807.db2.gz JGRCGNYXPVFORV-GFCCVEGCSA-N 0 0 305.382 0.719 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C ZINC000048430636 395815079 /nfs/dbraw/zinc/81/50/79/395815079.db2.gz UQOKZVKADFKSLI-LBPRGKRZSA-N 0 0 300.380 0.744 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112649286 395819878 /nfs/dbraw/zinc/81/98/78/395819878.db2.gz HMZMEWODSGWKJW-LLVKDONJSA-N 0 0 307.398 0.652 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)NC/C=C/c1ccccc1 ZINC000112725660 395823472 /nfs/dbraw/zinc/82/34/72/395823472.db2.gz NMDZXEDUEGKOFM-VMPITWQZSA-N 0 0 317.389 0.849 10 0 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0.850 10 0 DCAERN CCOc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000113293356 395829411 /nfs/dbraw/zinc/82/94/11/395829411.db2.gz YMUWLFPZXLVZME-UHFFFAOYSA-N 0 0 300.384 0.265 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517623 395830902 /nfs/dbraw/zinc/83/09/02/395830902.db2.gz SQQYZVCFDGFMEY-GFCCVEGCSA-N 0 0 323.397 0.868 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517921 395831068 /nfs/dbraw/zinc/83/10/68/395831068.db2.gz XDPRZDCNKUOPRF-GFCCVEGCSA-N 0 0 324.381 0.312 10 0 DCAERN O=C(N1CCO[C@H](c2nccs2)C1)[C@]1(O)CCSC1 ZINC000271022308 395831375 /nfs/dbraw/zinc/83/13/75/395831375.db2.gz UZVMKBVXKDRKNK-CABZTGNLSA-N 0 0 300.405 0.911 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000114735966 395836154 /nfs/dbraw/zinc/83/61/54/395836154.db2.gz YJISZQAZJRITAU-LLVKDONJSA-N 0 0 322.390 0.804 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000115958195 395841665 /nfs/dbraw/zinc/84/16/65/395841665.db2.gz UUAMTLFJBAMPOA-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN COc1ccc(F)cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116835173 395847742 /nfs/dbraw/zinc/84/77/42/395847742.db2.gz SNTPADZUSWSQAB-SNVBAGLBSA-N 0 0 316.354 0.598 10 0 DCAERN CC(C)CCO[C@H](C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116834904 395847958 /nfs/dbraw/zinc/84/79/58/395847958.db2.gz JUALEMACISMFDU-VXGBXAGGSA-N 0 0 306.428 0.588 10 0 DCAERN Cc1nc(-c2ccc(CNC(=O)C3=NNC(=O)CC3)cc2)no1 ZINC000220390083 395849027 /nfs/dbraw/zinc/84/90/27/395849027.db2.gz URLRJKSBQGDBKB-UHFFFAOYSA-N 0 0 313.317 0.927 10 0 DCAERN COCCN1CCN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1C ZINC000117285078 395851081 /nfs/dbraw/zinc/85/10/81/395851081.db2.gz KJWMXGRUMLBMFV-ZDUSSCGKSA-N 0 0 323.393 0.579 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1C ZINC000117285967 395851567 /nfs/dbraw/zinc/85/15/67/395851567.db2.gz HJXWPOVFKPEIDZ-ZDUSSCGKSA-N 0 0 305.378 0.804 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000117815517 395855208 /nfs/dbraw/zinc/85/52/08/395855208.db2.gz IRVNYQUKGWTCJV-GFCCVEGCSA-N 0 0 314.411 0.122 10 0 DCAERN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000270636654 395792582 /nfs/dbraw/zinc/79/25/82/395792582.db2.gz NLIAEUMQLJDUDG-PELKAZGASA-N 0 0 324.358 0.368 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccnc2ccnn21 ZINC000108715543 395792964 /nfs/dbraw/zinc/79/29/64/395792964.db2.gz YZDFQBWVRARYJJ-SECBINFHSA-N 0 0 305.363 0.979 10 0 DCAERN CN(Cc1nnn(C)n1)C[C@H](c1cccs1)N1CCOCC1 ZINC000194447545 395797128 /nfs/dbraw/zinc/79/71/28/395797128.db2.gz BMUPXUGMNFNKCS-GFCCVEGCSA-N 0 0 322.438 0.777 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000270687234 395797616 /nfs/dbraw/zinc/79/76/16/395797616.db2.gz VQQAVEWCEVMCSH-JTQLQIEISA-N 0 0 302.338 0.046 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000194477682 395798265 /nfs/dbraw/zinc/79/82/65/395798265.db2.gz KOJOSPVRDFTWSV-MNOVXSKESA-N 0 0 321.381 0.320 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)NCc1nnc2n1CCCC2 ZINC000194566115 395799672 /nfs/dbraw/zinc/79/96/72/395799672.db2.gz MACBWGYPHNAZBX-SECBINFHSA-N 0 0 321.410 0.540 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCNC(=O)c2cccs2)C1 ZINC000194629918 395802276 /nfs/dbraw/zinc/80/22/76/395802276.db2.gz IYGHDTVJFHWLGT-NSHDSACASA-N 0 0 311.407 0.315 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1ncc(C)o1 ZINC000234582421 395889647 /nfs/dbraw/zinc/88/96/47/395889647.db2.gz MHZNLRXKWHGIPY-ZJUUUORDSA-N 0 0 302.352 0.744 10 0 DCAERN CN1C[C@H](NC(=O)COCCOc2ccccc2)CCC1=O ZINC000133666051 395929589 /nfs/dbraw/zinc/92/95/89/395929589.db2.gz IAXWYROCPHVHEY-CYBMUJFWSA-N 0 0 306.362 0.819 10 0 DCAERN CCN(C)S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245460318 395929594 /nfs/dbraw/zinc/92/95/94/395929594.db2.gz LZLVCBJOAWZUOV-TUAOUCFPSA-N 0 0 304.412 0.989 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000125435016 395903149 /nfs/dbraw/zinc/90/31/49/395903149.db2.gz SMVKFBGVQGTOEX-LLVKDONJSA-N 0 0 311.407 0.866 10 0 DCAERN CC[C@@H](CO)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000273276920 395910820 /nfs/dbraw/zinc/91/08/20/395910820.db2.gz CSMLLYRNHWNZCG-ZDUSSCGKSA-N 0 0 312.435 0.983 10 0 DCAERN CC(C)(C)c1cc(C(=O)NC[C@H](O)CN2CCOCC2)[nH]n1 ZINC000126466206 395913879 /nfs/dbraw/zinc/91/38/79/395913879.db2.gz PUDYNDPROWOCDL-NSHDSACASA-N 0 0 310.398 0.130 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)C[C@H](C)O1 ZINC000055275508 395915531 /nfs/dbraw/zinc/91/55/31/395915531.db2.gz VMUNZUWOOLGEOT-BETUJISGSA-N 0 0 313.423 0.910 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)ccc1=O ZINC000238880572 395923122 /nfs/dbraw/zinc/92/31/22/395923122.db2.gz PDMFAYWWYOVZEN-LLVKDONJSA-N 0 0 300.318 0.469 10 0 DCAERN COC(=O)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000243091209 395923897 /nfs/dbraw/zinc/92/38/97/395923897.db2.gz IWMIZZIEILRSQB-VIFPVBQESA-N 0 0 304.302 0.350 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)CS(C)(=O)=O)cc1OC ZINC000244327748 395925233 /nfs/dbraw/zinc/92/52/33/395925233.db2.gz XMDOIFITZYRARC-SECBINFHSA-N 0 0 301.364 0.926 10 0 DCAERN CCCN(CC(=O)NC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000132269593 395926647 /nfs/dbraw/zinc/92/66/47/395926647.db2.gz YRUDCFQOBNXEOH-UHFFFAOYSA-N 0 0 304.350 0.314 10 0 DCAERN C[C@@H](O)CCNC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000118718800 395863560 /nfs/dbraw/zinc/86/35/60/395863560.db2.gz KDOJWJWRLNPSFK-GFCCVEGCSA-N 0 0 305.378 0.641 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271446516 395866265 /nfs/dbraw/zinc/86/62/65/395866265.db2.gz OZFNNIKSCQBUDW-CYBMUJFWSA-N 0 0 324.402 0.911 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCCSCC2)co1 ZINC000120085239 395880378 /nfs/dbraw/zinc/88/03/78/395880378.db2.gz YXJKLMXYZGPBGO-UHFFFAOYSA-N 0 0 304.393 0.767 10 0 DCAERN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1C(N)=O ZINC000120072143 395880615 /nfs/dbraw/zinc/88/06/15/395880615.db2.gz AEQSRXJAMXMAPK-LLVKDONJSA-N 0 0 314.349 0.822 10 0 DCAERN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C(N)=O)C(C)C ZINC000053395138 395882123 /nfs/dbraw/zinc/88/21/23/395882123.db2.gz XUHZNJNFYXOVRD-YPMHNXCESA-N 0 0 305.378 0.739 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245416276 395928655 /nfs/dbraw/zinc/92/86/55/395928655.db2.gz DZVCWGMSQCJQDI-RRFJBIMHSA-N 0 0 324.421 0.899 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000245442070 395928755 /nfs/dbraw/zinc/92/87/55/395928755.db2.gz VZAWCBRHQMYCOP-ZFWWWQNUSA-N 0 0 321.425 0.226 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000133427734 395928884 /nfs/dbraw/zinc/92/88/84/395928884.db2.gz AQKUUZCYZQRJBY-CABCVRRESA-N 0 0 317.389 0.991 10 0 DCAERN O=C(NCCO)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000056822438 395933774 /nfs/dbraw/zinc/93/37/74/395933774.db2.gz YKOPOPHSOIGAIQ-UHFFFAOYSA-N 0 0 301.346 0.688 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2ccc(Br)s2)C1 ZINC000276455935 395999065 /nfs/dbraw/zinc/99/90/65/395999065.db2.gz NRLYFPWARJVNCY-SNVBAGLBSA-N 0 0 305.197 0.933 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1C ZINC000246085192 395940703 /nfs/dbraw/zinc/94/07/03/395940703.db2.gz IGGCJJURGPMFDL-FRRDWIJNSA-N 0 0 306.410 0.743 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 ZINC000246081139 395940853 /nfs/dbraw/zinc/94/08/53/395940853.db2.gz ZVAHPRQLISSQRP-RYUDHWBXSA-N 0 0 305.382 0.031 10 0 DCAERN Cc1ccc([C@@H]2CN(CC(=O)N[C@H](C)C(=O)N(C)C)CCO2)o1 ZINC000246093729 395941380 /nfs/dbraw/zinc/94/13/80/395941380.db2.gz CORWVJLANCXAPO-OCCSQVGLSA-N 0 0 323.393 0.554 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCC[C@H]3O)C2)cn1 ZINC000246121418 395942267 /nfs/dbraw/zinc/94/22/67/395942267.db2.gz IKWOGVJTORWIRK-AEGPPILISA-N 0 0 321.425 0.992 10 0 DCAERN C[C@@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)[C@H]1CO ZINC000248881643 395999313 /nfs/dbraw/zinc/99/93/13/395999313.db2.gz DFVMGWMQZXPZPO-RISCZKNCSA-N 0 0 303.362 0.674 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2ccc(Br)s2)C1 ZINC000276455930 395999377 /nfs/dbraw/zinc/99/93/77/395999377.db2.gz NRLYFPWARJVNCY-JTQLQIEISA-N 0 0 305.197 0.933 10 0 DCAERN OC[C@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)ncn1 ZINC000246270931 395945454 /nfs/dbraw/zinc/94/54/54/395945454.db2.gz QPWOAWZISAJEMJ-NWDGAFQWSA-N 0 0 315.381 0.456 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248885193 395999436 /nfs/dbraw/zinc/99/94/36/395999436.db2.gz QEQJACFEESHQMB-STQMWFEESA-N 0 0 320.389 0.791 10 0 DCAERN CCCN(C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000057616232 395945676 /nfs/dbraw/zinc/94/56/76/395945676.db2.gz GTFNBYQJHNUUSK-UHFFFAOYSA-N 0 0 306.414 0.650 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000137068464 395949817 /nfs/dbraw/zinc/94/98/17/395949817.db2.gz BXVOLYHGLLYUKV-UHFFFAOYSA-N 0 0 313.304 0.989 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC)COC ZINC000246610924 395954224 /nfs/dbraw/zinc/95/42/24/395954224.db2.gz CJGOZYCJRZSVIW-NEPJUHHUSA-N 0 0 306.428 0.732 10 0 DCAERN CSC[C@H](CCO)Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000246843036 395959397 /nfs/dbraw/zinc/95/93/97/395959397.db2.gz CMNRZUMIOJFSMY-RYUDHWBXSA-N 0 0 312.439 0.964 10 0 DCAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246938269 395961685 /nfs/dbraw/zinc/96/16/85/395961685.db2.gz ISSYTUJAIYGFTK-GHMZBOCLSA-N 0 0 316.413 0.804 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000247014006 395963466 /nfs/dbraw/zinc/96/34/66/395963466.db2.gz ZFONWCCVIIBTEK-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CNC(=O)C1CCN(c2ccc(C(=O)OC)c(OC)n2)CC1 ZINC000274638926 395963695 /nfs/dbraw/zinc/96/36/95/395963695.db2.gz DYIULPSIWDULKE-UHFFFAOYSA-N 0 0 307.350 0.839 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000247074036 395965885 /nfs/dbraw/zinc/96/58/85/395965885.db2.gz OLANFOBXXCHDKA-CHWSQXEVSA-N 0 0 305.444 0.226 10 0 DCAERN CC(C)C[C@H](CO)N(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000274679726 395967042 /nfs/dbraw/zinc/96/70/42/395967042.db2.gz GYEJEOMAJZGWDB-SECBINFHSA-N 0 0 309.370 0.216 10 0 DCAERN CCOCCN1CCN([C@H](C)C(=O)NCCCOC)C[C@H]1C ZINC000247140833 395967965 /nfs/dbraw/zinc/96/79/65/395967965.db2.gz KZFYWNKSQGJAAV-HUUCEWRRSA-N 0 0 315.458 0.570 10 0 DCAERN Cn1cc(NC(=O)CCCOc2ccccc2)c(=O)n(C)c1=O ZINC000150744588 395972118 /nfs/dbraw/zinc/97/21/18/395972118.db2.gz OGTBZFYMRXNFAW-UHFFFAOYSA-N 0 0 317.345 0.882 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247427192 395973501 /nfs/dbraw/zinc/97/35/01/395973501.db2.gz NNMOOWILMMIMQA-SCRDCRAPSA-N 0 0 303.362 0.885 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC(c2nncn2CC)CC1 ZINC000152151826 396000934 /nfs/dbraw/zinc/00/09/34/396000934.db2.gz UDVZLUWFFCEZAE-NSHDSACASA-N 0 0 322.413 0.712 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCO[C@H]3CCOC3)c2n1 ZINC000150854323 395973934 /nfs/dbraw/zinc/97/39/34/395973934.db2.gz IHCPGNMGWFANBZ-LBPRGKRZSA-N 0 0 304.350 0.963 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CC1(C)OCCO1 ZINC000150890382 395974906 /nfs/dbraw/zinc/97/49/06/395974906.db2.gz QJFZZAOSFJAUBC-RYUDHWBXSA-N 0 0 323.397 0.681 10 0 DCAERN Cn1cc([C@@H]2CCN([C@H]3CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000247587374 395976603 /nfs/dbraw/zinc/97/66/03/395976603.db2.gz ZUXSGVLSHMULMM-DOMZBBRYSA-N 0 0 314.393 0.748 10 0 DCAERN Cc1ccc(N2CCC[C@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000247701131 395978081 /nfs/dbraw/zinc/97/80/81/395978081.db2.gz XWFVHMVPCBQPKM-LSDHHAIUSA-N 0 0 317.389 0.677 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@H]3CCCO3)CCO2)[nH]1 ZINC000151104137 395978847 /nfs/dbraw/zinc/97/88/47/395978847.db2.gz HBKXOVKTVBBXMO-WDEREUQCSA-N 0 0 309.370 0.629 10 0 DCAERN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000247996148 395981641 /nfs/dbraw/zinc/98/16/41/395981641.db2.gz JXQFJNILFGWMDS-PBHICJAKSA-N 0 0 323.437 0.352 10 0 DCAERN Cc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000248092370 395982633 /nfs/dbraw/zinc/98/26/33/395982633.db2.gz LRFJENVOCGUBBA-UHFFFAOYSA-N 0 0 317.433 0.971 10 0 DCAERN O=C(CCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CCOCC1 ZINC000151266537 395983112 /nfs/dbraw/zinc/98/31/12/395983112.db2.gz BMXNPAIFDUXIMS-WMLDXEAASA-N 0 0 324.421 0.779 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CN(C(C)=O)C1 ZINC000249081774 396001679 /nfs/dbraw/zinc/00/16/79/396001679.db2.gz SOQREIYNZBRIFI-UBHSHLNASA-N 0 0 308.378 0.797 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000151619648 395989145 /nfs/dbraw/zinc/98/91/45/395989145.db2.gz BUOYYQSVCFRSGZ-OLZOCXBDSA-N 0 0 312.410 0.681 10 0 DCAERN NC(=O)[C@H]1CN(C[C@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248589932 395990121 /nfs/dbraw/zinc/99/01/21/395990121.db2.gz ZAMIGZDVRYMSEF-NWDGAFQWSA-N 0 0 302.733 0.699 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCCNC(=O)[C@H]3C)ccc2O1 ZINC000248748332 395996402 /nfs/dbraw/zinc/99/64/02/395996402.db2.gz JWJJIENJJPDTAX-WDEREUQCSA-N 0 0 324.402 0.909 10 0 DCAERN CCCN1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000248779895 395996786 /nfs/dbraw/zinc/99/67/86/395996786.db2.gz QARSGJZGCMGUAQ-CYBMUJFWSA-N 0 0 317.455 0.907 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CN1CCCCC1=O ZINC000276700710 396022490 /nfs/dbraw/zinc/02/24/90/396022490.db2.gz PAJAABFOEGAWIJ-BLLLJJGKSA-N 0 0 320.393 0.626 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)o1 ZINC000154034970 396029667 /nfs/dbraw/zinc/02/96/67/396029667.db2.gz SXQQLJIGVMEVRJ-NSHDSACASA-N 0 0 308.334 0.613 10 0 DCAERN O=C(CCOc1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000154128020 396032397 /nfs/dbraw/zinc/03/23/97/396032397.db2.gz HXPUEBXDYJCLSA-AWEZNQCLSA-N 0 0 308.378 0.265 10 0 DCAERN CCN(CCS(C)(=O)=O)C[C@@H](O)COCc1ccccc1 ZINC000154252301 396035127 /nfs/dbraw/zinc/03/51/27/396035127.db2.gz RZXBGTXQNHGNAU-OAHLLOKOSA-N 0 0 315.435 0.931 10 0 DCAERN CN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)C1COC1 ZINC000276993321 396043199 /nfs/dbraw/zinc/04/31/99/396043199.db2.gz HCYSGYNKBFUAGG-CYBMUJFWSA-N 0 0 310.375 0.452 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@H](C)C2)on1 ZINC000155482243 396052562 /nfs/dbraw/zinc/05/25/62/396052562.db2.gz NCRQRHGHCWMKAI-ZJUUUORDSA-N 0 0 301.368 0.429 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)S(C)(=O)=O ZINC000155495203 396052617 /nfs/dbraw/zinc/05/26/17/396052617.db2.gz NZNHLEKDQMZJTL-WDEREUQCSA-N 0 0 322.390 0.878 10 0 DCAERN CC[C@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(=O)OC ZINC000155606101 396054722 /nfs/dbraw/zinc/05/47/22/396054722.db2.gz SZWPWGIYOPTOAG-NSHDSACASA-N 0 0 306.322 0.909 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000155630664 396055303 /nfs/dbraw/zinc/05/53/03/396055303.db2.gz PUGLVSITOVZDPT-QWRGUYRKSA-N 0 0 319.365 0.299 10 0 DCAERN C[C@H](C(=O)Nc1ccc(F)cc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000249375060 396006910 /nfs/dbraw/zinc/00/69/10/396006910.db2.gz XXEGBOBJSTVIKE-IEBDPFPHSA-N 0 0 300.305 0.719 10 0 DCAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC(=O)NC1CC1 ZINC000152559884 396012299 /nfs/dbraw/zinc/01/22/99/396012299.db2.gz DYFUKZOQESLBGT-ZDUSSCGKSA-N 0 0 304.350 0.523 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000249731329 396012312 /nfs/dbraw/zinc/01/23/12/396012312.db2.gz AIUQLJYNBGZBND-DCAQKATOSA-N 0 0 307.350 0.510 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000251437375 396016027 /nfs/dbraw/zinc/01/60/27/396016027.db2.gz CCUJHYRLHXLBKB-DCAQKATOSA-N 0 0 323.397 0.718 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000069141627 396070896 /nfs/dbraw/zinc/07/08/96/396070896.db2.gz IFSQMQHDBIXBCX-DTWKUNHWSA-N 0 0 318.420 0.953 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)N1CCN2C(=O)NC[C@@H]2C1 ZINC000152952338 396018570 /nfs/dbraw/zinc/01/85/70/396018570.db2.gz VCBCLBXADYJAKE-GFCCVEGCSA-N 0 0 324.331 0.926 10 0 DCAERN COCc1nc([C@H]2CCCN(C(=O)c3nccn3C)C2)no1 ZINC000169770897 396091163 /nfs/dbraw/zinc/09/11/63/396091163.db2.gz UPCHEUQKOORZFA-JTQLQIEISA-N 0 0 305.338 0.969 10 0 DCAERN COCCC(=O)N1CCC2(CN(C(C)=O)C[C@@H]2COC)CC1 ZINC000169783743 396092503 /nfs/dbraw/zinc/09/25/03/396092503.db2.gz RACDZXJUJGLASN-CQSZACIVSA-N 0 0 312.410 0.756 10 0 DCAERN COCCCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070302992 396100998 /nfs/dbraw/zinc/10/09/98/396100998.db2.gz HDQFLXCKHNSITL-UHFFFAOYSA-N 0 0 301.364 0.717 10 0 DCAERN Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2cnccn2)n1 ZINC000070456644 396102317 /nfs/dbraw/zinc/10/23/17/396102317.db2.gz CHUIBMXKOJKXML-UHFFFAOYSA-N 0 0 314.349 0.449 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)C1 ZINC000171094477 396106503 /nfs/dbraw/zinc/10/65/03/396106503.db2.gz FBAXHKOEBRNVAW-LLVKDONJSA-N 0 0 319.814 0.485 10 0 DCAERN COC(C)(C)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000171602203 396119622 /nfs/dbraw/zinc/11/96/22/396119622.db2.gz APKCGPUTGYSGQH-UHFFFAOYSA-N 0 0 322.409 0.814 10 0 DCAERN CC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000171638186 396121168 /nfs/dbraw/zinc/12/11/68/396121168.db2.gz OFNRYTWWNSORLQ-SWLSCSKDSA-N 0 0 307.398 0.906 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661794 396121380 /nfs/dbraw/zinc/12/13/80/396121380.db2.gz ARTGGYYHLBRNPI-AAEUAGOBSA-N 0 0 317.349 0.853 10 0 DCAERN C[C@H](O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000171672908 396122443 /nfs/dbraw/zinc/12/24/43/396122443.db2.gz DLVHYVULJGWUQA-SWLSCSKDSA-N 0 0 307.394 0.870 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCc2cccc(CO)c2)C1 ZINC000171711801 396123640 /nfs/dbraw/zinc/12/36/40/396123640.db2.gz VJEBQHJEKCSQDX-HNNXBMFYSA-N 0 0 305.378 0.989 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(CCOC)[C@H](CC)C1 ZINC000172263969 396129522 /nfs/dbraw/zinc/12/95/22/396129522.db2.gz UPCITEHTCRQPRG-CYBMUJFWSA-N 0 0 308.444 0.395 10 0 DCAERN CCOCCN1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1C ZINC000172219589 396129793 /nfs/dbraw/zinc/12/97/93/396129793.db2.gz KLEPZVBEUCWOSZ-LLVKDONJSA-N 0 0 322.409 0.570 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000072632769 396133176 /nfs/dbraw/zinc/13/31/76/396133176.db2.gz YRFHYYPLXLEWJN-FRRDWIJNSA-N 0 0 317.455 0.529 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)O ZINC000174845817 396139780 /nfs/dbraw/zinc/13/97/80/396139780.db2.gz VBLJWMXVVFHBBF-VIFPVBQESA-N 0 0 318.370 0.380 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000161957320 396078347 /nfs/dbraw/zinc/07/83/47/396078347.db2.gz VROLBSPBOLCOHD-CJNGLKHVSA-N 0 0 309.410 0.849 10 0 DCAERN [NH3+]C1(C(=O)NCCc2csc(N3CCCC3)n2)CCOCC1 ZINC000261952647 396083559 /nfs/dbraw/zinc/08/35/59/396083559.db2.gz ZIFPFNPOIYAXLM-UHFFFAOYSA-N 0 0 324.450 0.910 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cn(C)cn1 ZINC000178728084 396205757 /nfs/dbraw/zinc/20/57/57/396205757.db2.gz GXIRRVQFFGOVKR-CYBMUJFWSA-N 0 0 300.362 0.849 10 0 DCAERN CO[C@@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(F)(F)CN2)n1 ZINC000263203976 396205758 /nfs/dbraw/zinc/20/57/58/396205758.db2.gz JLYNAROIZNKPQU-YUMQZZPRSA-N 0 0 304.297 0.733 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000073958946 396154165 /nfs/dbraw/zinc/15/41/65/396154165.db2.gz ZEYNPEUDPLKRSN-UHFFFAOYSA-N 0 0 321.381 0.486 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCOC1 ZINC000176507260 396156791 /nfs/dbraw/zinc/15/67/91/396156791.db2.gz FSABIUSVTLVJAY-LLVKDONJSA-N 0 0 304.350 0.808 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)CCn1cncn1 ZINC000176575822 396157309 /nfs/dbraw/zinc/15/73/09/396157309.db2.gz CVBARMBZCXTXHB-OAHLLOKOSA-N 0 0 318.377 0.704 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000074490162 396167992 /nfs/dbraw/zinc/16/79/92/396167992.db2.gz VXIRAKXIDSRBDY-UPJWGTAASA-N 0 0 311.407 0.918 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177296865 396171199 /nfs/dbraw/zinc/17/11/99/396171199.db2.gz RTHQJGGIQUUNSS-HIFRSBDPSA-N 0 0 304.394 0.944 10 0 DCAERN CNC(=O)c1ccc(NCCC(=O)NCc2ccccc2)nn1 ZINC000074745168 396171373 /nfs/dbraw/zinc/17/13/73/396171373.db2.gz LWFRMOWVPNRJKK-UHFFFAOYSA-N 0 0 313.361 0.955 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](NC(=O)C(C)C)C2)nn1 ZINC000074745624 396171378 /nfs/dbraw/zinc/17/13/78/396171378.db2.gz DGEUREZUDMODGZ-LLVKDONJSA-N 0 0 305.382 0.577 10 0 DCAERN NS(=O)(=O)c1cnc(N2CC[C@@](O)(C(F)(F)F)C2)s1 ZINC000075053982 396175863 /nfs/dbraw/zinc/17/58/63/396175863.db2.gz CVHZKLKMESUANG-ZETCQYMHSA-N 0 0 317.314 0.294 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177607590 396179727 /nfs/dbraw/zinc/17/97/27/396179727.db2.gz AEIQRKZDWAZMMO-QWHCGFSZSA-N 0 0 320.393 0.242 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177626245 396180508 /nfs/dbraw/zinc/18/05/08/396180508.db2.gz WVHZPYVCJJFKOI-LBPRGKRZSA-N 0 0 313.361 0.910 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cnccc2C)CC1 ZINC000177911436 396185896 /nfs/dbraw/zinc/18/58/96/396185896.db2.gz SKBDVFOHFFMUBK-ZDUSSCGKSA-N 0 0 320.393 0.244 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)CC2 ZINC000263294190 396211920 /nfs/dbraw/zinc/21/19/20/396211920.db2.gz WCHGNITYHVEWRZ-UWVGGRQHSA-N 0 0 313.352 0.830 10 0 DCAERN CN(C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CCNC1=O ZINC000178199899 396190872 /nfs/dbraw/zinc/19/08/72/396190872.db2.gz KTYNJYYAGKDQIL-OLZOCXBDSA-N 0 0 309.435 0.942 10 0 DCAERN Cc1cc(N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)nc(C)n1 ZINC000178186291 396191123 /nfs/dbraw/zinc/19/11/23/396191123.db2.gz QBEBTEHWKCLFFD-GFCCVEGCSA-N 0 0 317.393 0.315 10 0 DCAERN CO[C@@H](C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000280308923 396192074 /nfs/dbraw/zinc/19/20/74/396192074.db2.gz NJDKIOYXRRPBGG-QWHCGFSZSA-N 0 0 320.393 0.290 10 0 DCAERN CC(=O)N(C)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000076247929 396199800 /nfs/dbraw/zinc/19/98/00/396199800.db2.gz WBLKTADSIQBUNS-CHWSQXEVSA-N 0 0 300.424 0.978 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)[C@H]1CC(F)(F)CN1 ZINC000263075094 396200575 /nfs/dbraw/zinc/20/05/75/396200575.db2.gz WZLVCGCLZCLKRG-SNVBAGLBSA-N 0 0 313.352 0.660 10 0 DCAERN COc1cc(C)ccc1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000077834181 396235189 /nfs/dbraw/zinc/23/51/89/396235189.db2.gz QGBOYQKBZQDQBY-UHFFFAOYSA-N 0 0 318.333 0.992 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282327423 396281511 /nfs/dbraw/zinc/28/15/11/396281511.db2.gz KCKYAWBMPBZBMW-NSHDSACASA-N 0 0 304.346 0.957 10 0 DCAERN CNC(=O)c1cccnc1N1CC[C@H](CN2CCOCC2)C1 ZINC000078405080 396244110 /nfs/dbraw/zinc/24/41/10/396244110.db2.gz FUCDKUSHDKGXPV-CYBMUJFWSA-N 0 0 304.394 0.600 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000182014576 396244835 /nfs/dbraw/zinc/24/48/35/396244835.db2.gz DNSKYGBJAJISCP-CYBMUJFWSA-N 0 0 312.439 0.784 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000182466296 396250639 /nfs/dbraw/zinc/25/06/39/396250639.db2.gz RZZYFOPGTRFOLV-KBPBESRZSA-N 0 0 301.350 0.626 10 0 DCAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000264075040 396254023 /nfs/dbraw/zinc/25/40/23/396254023.db2.gz XPZLLHAGJCURRP-CHWSQXEVSA-N 0 0 319.361 0.633 10 0 DCAERN CN(CC(=O)NCCCn1ccnn1)C(=O)c1cccs1 ZINC000182921988 396256440 /nfs/dbraw/zinc/25/64/40/396256440.db2.gz HVNIVGSASXBDBY-UHFFFAOYSA-N 0 0 307.379 0.618 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182911303 396256749 /nfs/dbraw/zinc/25/67/49/396256749.db2.gz PABSKZLCWGMDJT-QWHCGFSZSA-N 0 0 307.398 0.822 10 0 DCAERN NC(=O)c1ccc(OCCC(=O)NCCCn2ccnn2)cc1 ZINC000182926313 396256814 /nfs/dbraw/zinc/25/68/14/396256814.db2.gz YJAZBFCEVNFPLS-UHFFFAOYSA-N 0 0 317.349 0.352 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1CN(C)CCO1 ZINC000264299963 396268656 /nfs/dbraw/zinc/26/86/56/396268656.db2.gz IYXHJSMIGYUMOO-AAEUAGOBSA-N 0 0 307.398 0.427 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282183570 396270397 /nfs/dbraw/zinc/27/03/97/396270397.db2.gz ZNOVKRSDBGWCRO-SNVBAGLBSA-N 0 0 300.355 0.985 10 0 DCAERN NC(=O)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 ZINC000183572087 396270968 /nfs/dbraw/zinc/27/09/68/396270968.db2.gz SQQUGLFUQHUMOY-UHFFFAOYSA-N 0 0 302.338 0.267 10 0 DCAERN O=C(CNC(=O)N1CCO[C@@H](c2nccs2)C1)NCC1CC1 ZINC000183800066 396275318 /nfs/dbraw/zinc/27/53/18/396275318.db2.gz LNXHOLUDSGZTLY-LLVKDONJSA-N 0 0 324.406 0.752 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183841957 396276140 /nfs/dbraw/zinc/27/61/40/396276140.db2.gz PRVCSBCCNSESOQ-NWDGAFQWSA-N 0 0 306.366 0.559 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183968344 396279198 /nfs/dbraw/zinc/27/91/98/396279198.db2.gz XZDJWJCZQQDRPJ-SNVBAGLBSA-N 0 0 324.406 0.864 10 0 DCAERN NC(=O)COc1ccccc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000077148417 396213116 /nfs/dbraw/zinc/21/31/16/396213116.db2.gz VUFKMKWZYZWGKW-DGCLKSJQSA-N 0 0 306.362 0.832 10 0 DCAERN O=C(CSc1nnnn1C1CC1)NC[C@H]1CCCC[C@H]1O ZINC000077205083 396214625 /nfs/dbraw/zinc/21/46/25/396214625.db2.gz PTBRUZAFSILCEC-MWLCHTKSSA-N 0 0 311.411 0.767 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3ccon3)CC2)n1 ZINC000077283077 396217421 /nfs/dbraw/zinc/21/74/21/396217421.db2.gz KRGDWMWYJCUERK-UHFFFAOYSA-N 0 0 313.365 0.982 10 0 DCAERN CC(C)n1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000280833458 396224856 /nfs/dbraw/zinc/22/48/56/396224856.db2.gz VJITYZPUDGSNPQ-JTQLQIEISA-N 0 0 315.399 0.619 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCCC(=O)N(C)C)no2)c1 ZINC000179354299 396225644 /nfs/dbraw/zinc/22/56/44/396225644.db2.gz BNZAMIPTTUUQCT-UHFFFAOYSA-N 0 0 319.365 0.826 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(C2CCCCC2)n[nH]1 ZINC000179424896 396226630 /nfs/dbraw/zinc/22/66/30/396226630.db2.gz LRYCAANHIYGSTR-SNVBAGLBSA-N 0 0 304.350 0.992 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1F ZINC000180682122 396233397 /nfs/dbraw/zinc/23/33/97/396233397.db2.gz SSGPCXFACUQYAA-JTQLQIEISA-N 0 0 317.324 0.795 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCCNC(=O)N(C)C)c1ccccc1 ZINC000180629105 396233704 /nfs/dbraw/zinc/23/37/04/396233704.db2.gz QPRYTROPRHVKQE-CQSZACIVSA-N 0 0 320.393 0.641 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCCn1ccnn1 ZINC000185071995 396316107 /nfs/dbraw/zinc/31/61/07/396316107.db2.gz AJFOBXQBFOAIIG-UHFFFAOYSA-N 0 0 301.350 0.523 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCn1ccnn1 ZINC000185063022 396316194 /nfs/dbraw/zinc/31/61/94/396316194.db2.gz QJXOFKJOGWLDIV-UHFFFAOYSA-N 0 0 300.322 0.128 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000185124641 396318725 /nfs/dbraw/zinc/31/87/25/396318725.db2.gz BXELLRRPAQCDCJ-VIFPVBQESA-N 0 0 317.340 0.643 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC(=O)N1C ZINC000282423932 396289638 /nfs/dbraw/zinc/28/96/38/396289638.db2.gz QMZJTFVSUADENJ-GWCFXTLKSA-N 0 0 317.345 0.465 10 0 DCAERN COc1cc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)ncn1 ZINC000184320452 396291152 /nfs/dbraw/zinc/29/11/52/396291152.db2.gz ALVIJNHICQHNHI-LBPRGKRZSA-N 0 0 308.382 0.541 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H](C)S(C)(=O)=O)CC1(C)C ZINC000081241544 396295109 /nfs/dbraw/zinc/29/51/09/396295109.db2.gz CWBNUKGQJJTWMH-JTQLQIEISA-N 0 0 304.412 0.277 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184456413 396296176 /nfs/dbraw/zinc/29/61/76/396296176.db2.gz OWLAXYILLYYBFL-SZNDQCEHSA-N 0 0 318.439 0.735 10 0 DCAERN C[C@@H]1CCc2ccccc2N1C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185163203 396320100 /nfs/dbraw/zinc/32/01/00/396320100.db2.gz JPOKCYRCBAUABP-BPLDGKMQSA-N 0 0 304.390 0.782 10 0 DCAERN CN(C)c1noc(CSc2nnc(C(F)(F)F)n2N)n1 ZINC000184536065 396297959 /nfs/dbraw/zinc/29/79/59/396297959.db2.gz ZSVKBILAMJPZQR-UHFFFAOYSA-N 0 0 309.277 0.752 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1c(F)cccc1F ZINC000184732206 396303360 /nfs/dbraw/zinc/30/33/60/396303360.db2.gz RQLLOGXUPLKGKQ-GIPNMCIBSA-N 0 0 312.316 0.498 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000283067623 396303489 /nfs/dbraw/zinc/30/34/89/396303489.db2.gz UOXKTERPWFKAJG-KOLCDFICSA-N 0 0 300.366 0.837 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1Cl)N1C[C@H](O)C[C@@H]1CO ZINC000184743258 396304976 /nfs/dbraw/zinc/30/49/76/396304976.db2.gz AMBYORHASLTRNC-RAIGVLPGSA-N 0 0 312.797 0.772 10 0 DCAERN Cn1cccc1-c1nnc(N2CCO[C@]3(CCOC3)C2)n1C ZINC000283085091 396305922 /nfs/dbraw/zinc/30/59/22/396305922.db2.gz HSWGAOPMLUVABC-OAHLLOKOSA-N 0 0 303.366 0.816 10 0 DCAERN CCOC(=O)c1c(C)nn(C[C@H](O)CN2CCOCC2)c1C ZINC000184850550 396308874 /nfs/dbraw/zinc/30/88/74/396308874.db2.gz GDICOGWWTVJJGG-CYBMUJFWSA-N 0 0 311.382 0.370 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184896811 396310467 /nfs/dbraw/zinc/31/04/67/396310467.db2.gz KZTUIMAOFVDQNW-JGVFFNPUSA-N 0 0 315.317 0.741 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)Nc3ccnn3C)C2)cn1 ZINC000185411162 396327464 /nfs/dbraw/zinc/32/74/64/396327464.db2.gz FATKYZOFYYTRGV-NSHDSACASA-N 0 0 303.370 0.944 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)no1 ZINC000265497072 396321800 /nfs/dbraw/zinc/32/18/00/396321800.db2.gz YBCRYFRGRLYROJ-VHSXEESVSA-N 0 0 322.408 0.320 10 0 DCAERN CCC1(CC)CN(CCN2C(=O)CCC2=O)CC[S@]1=O ZINC000185255023 396323016 /nfs/dbraw/zinc/32/30/16/396323016.db2.gz CZLSXJQFNQNACU-HXUWFJFHSA-N 0 0 300.424 0.759 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000185274543 396323708 /nfs/dbraw/zinc/32/37/08/396323708.db2.gz LXMPFGAQZZRWRD-UHFFFAOYSA-N 0 0 314.288 0.875 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000185345891 396325070 /nfs/dbraw/zinc/32/50/70/396325070.db2.gz DDIIIXZYQRNFMJ-KBPBESRZSA-N 0 0 309.410 0.476 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000185706229 396333099 /nfs/dbraw/zinc/33/30/99/396333099.db2.gz QWCOLUVSVYJKID-ZDUSSCGKSA-N 0 0 316.427 0.747 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000185729634 396333954 /nfs/dbraw/zinc/33/39/54/396333954.db2.gz OYWUUGJWJAJONO-ZDUSSCGKSA-N 0 0 320.455 0.860 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186085534 396340610 /nfs/dbraw/zinc/34/06/10/396340610.db2.gz YPDLHAYKBHHDLN-IAQYHMDHSA-N 0 0 308.334 0.416 10 0 DCAERN CNC(=O)CC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000185934917 396337937 /nfs/dbraw/zinc/33/79/37/396337937.db2.gz FGLBOIOLMPUWOZ-SNVBAGLBSA-N 0 0 315.167 0.735 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186047739 396339781 /nfs/dbraw/zinc/33/97/81/396339781.db2.gz GCJWWSXUHHIHQV-ABAIWWIYSA-N 0 0 308.334 0.416 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)CNC(=O)c1ccccn1 ZINC000186076720 396340729 /nfs/dbraw/zinc/34/07/29/396340729.db2.gz GJMLCBBFNXNUGF-VIFPVBQESA-N 0 0 305.256 0.193 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@]4(CCOC4)C3)cc21 ZINC000186101745 396341254 /nfs/dbraw/zinc/34/12/54/396341254.db2.gz KLCLMQPIYMOKOR-OAHLLOKOSA-N 0 0 302.334 0.600 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186094764 396341292 /nfs/dbraw/zinc/34/12/92/396341292.db2.gz RJGUYMDNYQXAHA-UHFFFAOYSA-N 0 0 324.406 0.633 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCNC(=O)c1cccnc1 ZINC000186913476 396360178 /nfs/dbraw/zinc/36/01/78/396360178.db2.gz BQRCOEGEZBXAPM-UHFFFAOYSA-N 0 0 306.366 0.225 10 0 DCAERN O=C(c1ccccc1-n1ccnn1)N1CCO[C@@]2(CCOC2)C1 ZINC000187171857 396364328 /nfs/dbraw/zinc/36/43/28/396364328.db2.gz DBVUCECIBFKZGV-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187240698 396365424 /nfs/dbraw/zinc/36/54/24/396365424.db2.gz PTKMUGZBBJYKGR-AWEZNQCLSA-N 0 0 323.441 0.771 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)n[nH]1 ZINC000187268268 396365643 /nfs/dbraw/zinc/36/56/43/396365643.db2.gz XMNRBJNMXUZNBM-JTQLQIEISA-N 0 0 319.331 0.907 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)Cc2cc(C)on2)[C@H](C)C1 ZINC000268664999 396366042 /nfs/dbraw/zinc/36/60/42/396366042.db2.gz YEYWVCOTRBQYAF-SECBINFHSA-N 0 0 301.368 0.365 10 0 DCAERN CCS(=O)(=O)NCCCN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187274472 396366758 /nfs/dbraw/zinc/36/67/58/396366758.db2.gz NPOYYBHFKVDQSK-UHFFFAOYSA-N 0 0 315.443 0.170 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429318 396369310 /nfs/dbraw/zinc/36/93/10/396369310.db2.gz AMYGQRGKWLSIFQ-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCCC3(CC3)C2)n(C)n1 ZINC000187407336 396369506 /nfs/dbraw/zinc/36/95/06/396369506.db2.gz FDAVYVSBNIYGAE-UHFFFAOYSA-N 0 0 320.393 0.950 10 0 DCAERN COC[C@@H](C)CN1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000187448968 396369620 /nfs/dbraw/zinc/36/96/20/396369620.db2.gz HCIHAHCCXJZJKH-AWEZNQCLSA-N 0 0 322.471 0.641 10 0 DCAERN CO[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)CC[C@H]1C ZINC000187773031 396374121 /nfs/dbraw/zinc/37/41/21/396374121.db2.gz FITUZKROQVKVQK-YPMHNXCESA-N 0 0 309.366 0.962 10 0 DCAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)n[nH]1 ZINC000188329516 396381773 /nfs/dbraw/zinc/38/17/73/396381773.db2.gz GLMPYGINSJTMAG-UHFFFAOYSA-N 0 0 318.337 0.302 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1nnc(-c2ccccc2)n1C ZINC000188601504 396383716 /nfs/dbraw/zinc/38/37/16/396383716.db2.gz GGBICQGTDXPKAA-QWHCGFSZSA-N 0 0 316.361 0.590 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000188636126 396384209 /nfs/dbraw/zinc/38/42/09/396384209.db2.gz XBEOSKDFZWAJIZ-NGFQHRJXSA-N 0 0 312.410 0.680 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188747994 396386093 /nfs/dbraw/zinc/38/60/93/396386093.db2.gz CLTHKILLOZIVDM-UHFFFAOYSA-N 0 0 309.410 0.810 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188798953 396386827 /nfs/dbraw/zinc/38/68/27/396386827.db2.gz HLLMHRMXKLEYMR-GFCCVEGCSA-N 0 0 324.425 0.017 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000188837981 396387292 /nfs/dbraw/zinc/38/72/92/396387292.db2.gz VWGBIJQHYQEXJG-SNVBAGLBSA-N 0 0 300.322 0.013 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000188872251 396387943 /nfs/dbraw/zinc/38/79/43/396387943.db2.gz USBMSQBSDQHXFF-GFCCVEGCSA-N 0 0 309.410 0.810 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189131351 396391224 /nfs/dbraw/zinc/39/12/24/396391224.db2.gz ZKKVUHYERWJZOY-IRUJWGPZSA-N 0 0 324.352 0.993 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc2c1oc(=O)n2C ZINC000189238240 396391749 /nfs/dbraw/zinc/39/17/49/396391749.db2.gz VYZXVGOAZXFAPA-SECBINFHSA-N 0 0 303.318 0.482 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000269210680 396395354 /nfs/dbraw/zinc/39/53/54/396395354.db2.gz WAJAQOUCNYVWAT-OLZOCXBDSA-N 0 0 322.361 0.494 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCNC(=O)CC(C)C)CC2)n[nH]1 ZINC000189758820 396398225 /nfs/dbraw/zinc/39/82/25/396398225.db2.gz HZBNDKWQUJJFLB-UHFFFAOYSA-N 0 0 321.425 0.919 10 0 DCAERN O=C(CN1CCN(c2cc(C3CC3)[nH]n2)CC1)N1CCOCC1 ZINC000189745296 396398283 /nfs/dbraw/zinc/39/82/83/396398283.db2.gz LZISCYGHHRWPFL-UHFFFAOYSA-N 0 0 319.409 0.268 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189753645 396398394 /nfs/dbraw/zinc/39/83/94/396398394.db2.gz GDHZXJXUMYPTSM-UHFFFAOYSA-N 0 0 324.402 0.785 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H](CO)C3)ccc2O1 ZINC000269758752 396444120 /nfs/dbraw/zinc/44/41/20/396444120.db2.gz BPOMPDIGLJGGMV-CMPLNLGQSA-N 0 0 313.375 0.392 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](CO)C3)ccc2O1 ZINC000269758754 396444153 /nfs/dbraw/zinc/44/41/53/396444153.db2.gz BPOMPDIGLJGGMV-PWSUYJOCSA-N 0 0 313.375 0.392 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000189968746 396401132 /nfs/dbraw/zinc/40/11/32/396401132.db2.gz ZPVDCYGTLSJFAV-VHSXEESVSA-N 0 0 316.345 0.674 10 0 DCAERN O=C([C@@H]1CSC(=O)N1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189994917 396401333 /nfs/dbraw/zinc/40/13/33/396401333.db2.gz PVAGSAVOJPEPLO-NSHDSACASA-N 0 0 321.406 0.761 10 0 DCAERN CC(C)c1cc(NC(=O)N[C@H](C)C(N)=O)n(-c2ncccn2)n1 ZINC000189974401 396401583 /nfs/dbraw/zinc/40/15/83/396401583.db2.gz POXNUSKCHHGDTG-SECBINFHSA-N 0 0 317.353 0.781 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190209157 396402817 /nfs/dbraw/zinc/40/28/17/396402817.db2.gz JXHIYFAVLSXNNK-HBNTYKKESA-N 0 0 304.412 0.483 10 0 DCAERN NCC(F)(F)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000190195578 396403023 /nfs/dbraw/zinc/40/30/23/396403023.db2.gz MLKPEDOFQFUSAW-UHFFFAOYSA-N 0 0 311.292 0.774 10 0 DCAERN O=C(Cc1cnc2ccccc2c1)NC[C@H]1CN2CCN1CC2 ZINC000190240434 396403480 /nfs/dbraw/zinc/40/34/80/396403480.db2.gz NXJUDYCSEUVIOI-INIZCTEOSA-N 0 0 310.401 0.893 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1=O ZINC000190536856 396407941 /nfs/dbraw/zinc/40/79/41/396407941.db2.gz VWDCYRAAAQDINL-CYBMUJFWSA-N 0 0 322.409 0.562 10 0 DCAERN CN1CCCN(C(=O)c2cnc(-c3ncccn3)s2)CC1=O ZINC000190623710 396408869 /nfs/dbraw/zinc/40/88/69/396408869.db2.gz OAONSGNQYFVVDJ-UHFFFAOYSA-N 0 0 317.374 0.904 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190669521 396409689 /nfs/dbraw/zinc/40/96/89/396409689.db2.gz KEDDHUVZFHSDCF-LLVKDONJSA-N 0 0 303.362 0.925 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000190676783 396410546 /nfs/dbraw/zinc/41/05/46/396410546.db2.gz CAMKUZQPXAJMGK-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)[C@@H](C)OC)CCO2)[nH]1 ZINC000190706068 396410628 /nfs/dbraw/zinc/41/06/28/396410628.db2.gz QYCSTBQGHKPQSR-AXFHLTTASA-N 0 0 311.386 0.873 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000269420534 396413131 /nfs/dbraw/zinc/41/31/31/396413131.db2.gz HHYRPOMPVWEVJM-ZWNOBZJWSA-N 0 0 318.329 0.578 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191037686 396414371 /nfs/dbraw/zinc/41/43/71/396414371.db2.gz GJBSZXZVAWRZRD-UHFFFAOYSA-N 0 0 321.381 0.312 10 0 DCAERN COc1cccc(CNC(=O)[C@H](C)N2CCCN(C)C(=O)C2)c1 ZINC000191076745 396415212 /nfs/dbraw/zinc/41/52/12/396415212.db2.gz SSYPZFAQFSRHMQ-ZDUSSCGKSA-N 0 0 319.405 0.864 10 0 DCAERN COc1ccccc1N1CC[C@@H](N2CCCN(C)C(=O)C2)C1=O ZINC000191088848 396415347 /nfs/dbraw/zinc/41/53/47/396415347.db2.gz XBSJJIJVZJLETE-CQSZACIVSA-N 0 0 317.389 0.965 10 0 DCAERN CCS(=O)(=O)NCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191226129 396417432 /nfs/dbraw/zinc/41/74/32/396417432.db2.gz LNKZWIJPGSQEQP-RWMBFGLXSA-N 0 0 318.439 0.589 10 0 DCAERN CCN1CN(C[C@@H](O)COCc2cccc(OC)c2)CC1=O ZINC000191549382 396421551 /nfs/dbraw/zinc/42/15/51/396421551.db2.gz HKCMIFYLXRIGLY-CQSZACIVSA-N 0 0 308.378 0.694 10 0 DCAERN CCN1CN(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1=O ZINC000191569874 396422041 /nfs/dbraw/zinc/42/20/41/396422041.db2.gz ZJZUYTKQMFXDCF-UONOGXRCSA-N 0 0 311.426 0.820 10 0 DCAERN CN(CC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(N)=O ZINC000191576725 396422154 /nfs/dbraw/zinc/42/21/54/396422154.db2.gz NJFBVPQRPATVTC-GFCCVEGCSA-N 0 0 322.340 0.053 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191840351 396425672 /nfs/dbraw/zinc/42/56/72/396425672.db2.gz PVDRKDQCUQFMFX-UHFFFAOYSA-N 0 0 304.350 0.742 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000191934535 396427235 /nfs/dbraw/zinc/42/72/35/396427235.db2.gz NZHHJMCEPHYLPP-UHFFFAOYSA-N 0 0 306.366 0.854 10 0 DCAERN Cc1cccc(CNC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC000192156555 396430140 /nfs/dbraw/zinc/43/01/40/396430140.db2.gz YTUANYIAMAEWQV-NSHDSACASA-N 0 0 311.407 0.966 10 0 DCAERN O=C1NC(=O)[C@]2(CCCN(Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642187 396434243 /nfs/dbraw/zinc/43/42/43/396434243.db2.gz VTLMRCFWKGQTIB-OAHLLOKOSA-N 0 0 319.365 0.901 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCOCCO ZINC000192692667 396435987 /nfs/dbraw/zinc/43/59/87/396435987.db2.gz KGOKOKAMLZSEBR-ZFWWWQNUSA-N 0 0 322.405 0.956 10 0 DCAERN COCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000192754414 396436623 /nfs/dbraw/zinc/43/66/23/396436623.db2.gz DTXDJCCGGCAQMU-UHFFFAOYSA-N 0 0 316.361 0.327 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)COc1cccc(C)c1 ZINC000192845668 396439133 /nfs/dbraw/zinc/43/91/33/396439133.db2.gz GVTNKQLHLBMRMN-XNRPHZJLSA-N 0 0 320.389 0.860 10 0 DCAERN Cn1nccc1CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000192876552 396439835 /nfs/dbraw/zinc/43/98/35/396439835.db2.gz XLIBKFNXSZERDP-IUCAKERBSA-N 0 0 304.272 0.493 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000187919318 396376146 /nfs/dbraw/zinc/37/61/46/396376146.db2.gz WHOSMWGTNMGADV-CHWSQXEVSA-N 0 0 314.430 0.215 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979800 396376984 /nfs/dbraw/zinc/37/69/84/396376984.db2.gz SPQQZKXELWTCOM-UHFFFAOYSA-N 0 0 302.334 0.066 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000286166911 396378771 /nfs/dbraw/zinc/37/87/71/396378771.db2.gz OKXIRCJEYKWWNS-ZDUSSCGKSA-N 0 0 319.409 0.891 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCCN(C)C(=O)C2)s1 ZINC000188220147 396380173 /nfs/dbraw/zinc/38/01/73/396380173.db2.gz VTHSLIYGGRXZKR-UHFFFAOYSA-N 0 0 303.409 0.613 10 0 DCAERN O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1[C@H]1COc2ccc(F)cc2C1 ZINC000288788067 396447970 /nfs/dbraw/zinc/44/79/70/396447970.db2.gz XIZBDNZFXGKZMR-BZPMIXESSA-N 0 0 320.320 0.917 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000269891071 396453685 /nfs/dbraw/zinc/45/36/85/396453685.db2.gz BMIHUNFHVNGLHM-UHFFFAOYSA-N 0 0 305.382 0.282 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000289145705 396455653 /nfs/dbraw/zinc/45/56/53/396455653.db2.gz MOGMVIFMXUTYDJ-UHFFFAOYSA-N 0 0 311.407 0.949 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000270174443 396462393 /nfs/dbraw/zinc/46/23/93/396462393.db2.gz XZPHQUCXTXVQEL-WCQYABFASA-N 0 0 305.382 0.718 10 0 DCAERN COCCOc1cc(C(=O)N2CC(n3ccnn3)C2)ccn1 ZINC000371555651 396470453 /nfs/dbraw/zinc/47/04/53/396470453.db2.gz UZDSVEITHDDZHD-UHFFFAOYSA-N 0 0 303.322 0.395 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC000371800463 396476904 /nfs/dbraw/zinc/47/69/04/396476904.db2.gz ADPHHDFGDXKBRU-YXMPFFBPSA-N 0 0 316.357 0.952 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCc2sccc2C1 ZINC000371813902 396477513 /nfs/dbraw/zinc/47/75/13/396477513.db2.gz BTTPMCLXPVOAAU-AWEZNQCLSA-N 0 0 321.446 0.649 10 0 DCAERN CN(C)[C@@H](C(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000371868546 396479023 /nfs/dbraw/zinc/47/90/23/396479023.db2.gz BAIQNDLSLKTOPJ-HZPDHXFCSA-N 0 0 303.406 0.832 10 0 DCAERN O=C(NC[C@@H]1CCCCS1)C(=O)N1CCN(C2CC2)CC1 ZINC000580124039 396488914 /nfs/dbraw/zinc/48/89/14/396488914.db2.gz PDSIQEYGOYCBJV-ZDUSSCGKSA-N 0 0 311.451 0.695 10 0 DCAERN CO[C@@](C)(CO)CNc1ncc(I)cn1 ZINC000594590142 396489340 /nfs/dbraw/zinc/48/93/40/396489340.db2.gz USBVFUSERCFEIN-SECBINFHSA-N 0 0 323.134 0.891 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000372115658 396489535 /nfs/dbraw/zinc/48/95/35/396489535.db2.gz FRPAVZNGQNQHTL-ZYHUDNBSSA-N 0 0 321.381 0.272 10 0 DCAERN CN1C[C@@H](C(=O)N2CC(n3ccnn3)C2)c2ccccc2C1=O ZINC000373319314 396583760 /nfs/dbraw/zinc/58/37/60/396583760.db2.gz OBOVQNJWRZVYQE-CQSZACIVSA-N 0 0 311.345 0.531 10 0 DCAERN C[C@H](NC(=O)C(=O)N1CCN(C2CC2)CC1)C1CCOCC1 ZINC000581090881 396525664 /nfs/dbraw/zinc/52/56/64/396525664.db2.gz GYCLCEILOSPRFD-LBPRGKRZSA-N 0 0 309.410 0.224 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCCO[C@@H]1CC1(F)F ZINC000594840077 396525863 /nfs/dbraw/zinc/52/58/63/396525863.db2.gz KNCQSFWFQYDLJR-MRVPVSSYSA-N 0 0 301.311 0.283 10 0 DCAERN Cc1csc(NC(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1 ZINC000372736066 396541784 /nfs/dbraw/zinc/54/17/84/396541784.db2.gz GLQBJJKEUOPJRI-HOSYDEDBSA-N 0 0 308.407 0.976 10 0 DCAERN O=S(=O)(NCC[C@@H]1COc2ccccc2O1)[C@@H]1CCOC1 ZINC000581345291 396546256 /nfs/dbraw/zinc/54/62/56/396546256.db2.gz MSTQKOVOSHXAMU-VXGBXAGGSA-N 0 0 313.375 0.925 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)N2CC3(CC3)c3ccccc32)C1=O ZINC000374186878 396645796 /nfs/dbraw/zinc/64/57/96/396645796.db2.gz FPYUVOBBWJAYBY-UHFFFAOYSA-N 0 0 313.313 0.485 10 0 DCAERN CN1C(=O)[C@H]2CN(C(=O)c3ccoc3C3CC3)CCN2C1=O ZINC000374184516 396645834 /nfs/dbraw/zinc/64/58/34/396645834.db2.gz AASOZTFMAUIQKQ-LLVKDONJSA-N 0 0 303.318 0.875 10 0 DCAERN CC(C)CCO[C@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733268 396651466 /nfs/dbraw/zinc/65/14/66/396651466.db2.gz BICQZYYZXBWYGC-CYBMUJFWSA-N 0 0 320.455 0.979 10 0 DCAERN Cc1nccc(N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)n1 ZINC000373398121 396588970 /nfs/dbraw/zinc/58/89/70/396588970.db2.gz IETZIPYMHOHPQV-IYBDPMFKSA-N 0 0 317.437 0.770 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(OC)CCCC1 ZINC000581919987 396593137 /nfs/dbraw/zinc/59/31/37/396593137.db2.gz XZAYEGJNFXDCGD-GHMZBOCLSA-N 0 0 314.382 0.518 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373685656 396606951 /nfs/dbraw/zinc/60/69/51/396606951.db2.gz UUPBBIUQIOWFMZ-OCCSQVGLSA-N 0 0 318.439 0.985 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000374007002 396630107 /nfs/dbraw/zinc/63/01/07/396630107.db2.gz ZIKIWZXXERCPLG-VIFPVBQESA-N 0 0 316.354 0.724 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)C1 ZINC000374020848 396632178 /nfs/dbraw/zinc/63/21/78/396632178.db2.gz ZWNZFDSPPOUYHT-WQGACYEGSA-N 0 0 310.394 0.650 10 0 DCAERN NC(=S)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000374044327 396634931 /nfs/dbraw/zinc/63/49/31/396634931.db2.gz HVCIVJYUEONPND-CYBMUJFWSA-N 0 0 305.403 0.477 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000374367720 396657990 /nfs/dbraw/zinc/65/79/90/396657990.db2.gz RWOUXVPMVHXUEM-RYUDHWBXSA-N 0 0 308.407 0.657 10 0 DCAERN Cn1nnc(CNC(=O)NCC[C@H]2COc3ccccc3O2)n1 ZINC000562341678 396658269 /nfs/dbraw/zinc/65/82/69/396658269.db2.gz ITYSFCLSSLVTBQ-JTQLQIEISA-N 0 0 318.337 0.239 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374129693 396641425 /nfs/dbraw/zinc/64/14/25/396641425.db2.gz ICPOGXXKSVTLKJ-DNIRFERGSA-N 0 0 319.361 0.523 10 0 DCAERN COCCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000586594784 396661459 /nfs/dbraw/zinc/66/14/59/396661459.db2.gz KXZWUOREDMSHAU-UHFFFAOYSA-N 0 0 307.416 0.138 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC1CCSCC1 ZINC000587118471 396670674 /nfs/dbraw/zinc/67/06/74/396670674.db2.gz QAINQIVEXHAWOV-UHFFFAOYSA-N 0 0 321.468 0.607 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)CC1=O ZINC000374576155 396674001 /nfs/dbraw/zinc/67/40/01/396674001.db2.gz OTXXNINLFCYECE-POQQGIQPSA-N 0 0 309.410 0.846 10 0 DCAERN CCN1C[C@@H](NC(=O)c2cccc(C(=O)NC3CC3)c2)CC1=O ZINC000562782291 396679114 /nfs/dbraw/zinc/67/91/14/396679114.db2.gz WFWNGNSXOMVGOU-AWEZNQCLSA-N 0 0 315.373 0.929 10 0 DCAERN O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1c[nH]cn1 ZINC000374734364 396683430 /nfs/dbraw/zinc/68/34/30/396683430.db2.gz IOCUVQSEDQOUAX-JQWIXIFHSA-N 0 0 315.395 0.256 10 0 DCAERN COc1cncc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000374759753 396685859 /nfs/dbraw/zinc/68/58/59/396685859.db2.gz OAHPTVDIBBRZGI-BXUZGUMPSA-N 0 0 321.377 0.783 10 0 DCAERN COCCCOCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374846441 396691855 /nfs/dbraw/zinc/69/18/55/396691855.db2.gz ZIBYFMZCQZKCIN-UKRRQHHQSA-N 0 0 315.410 0.723 10 0 DCAERN Cc1nc(C2(NC[C@H](O)CN3CCOCC3)CCCC2)no1 ZINC000304291322 396728609 /nfs/dbraw/zinc/72/86/09/396728609.db2.gz JQVKUBVVPHHZNQ-ZDUSSCGKSA-N 0 0 310.398 0.430 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000375076649 396709779 /nfs/dbraw/zinc/70/97/79/396709779.db2.gz FJYSFWCAQIMCFD-KFWWJZLASA-N 0 0 323.437 0.424 10 0 DCAERN Cn1cc(C[N@@H+]2CCCN(c3ccncc3C(N)=O)CC2)cn1 ZINC000302218228 396718153 /nfs/dbraw/zinc/71/81/53/396718153.db2.gz KUBPIGRMNBBVMK-UHFFFAOYSA-N 0 0 314.393 0.626 10 0 DCAERN CCc1cc(=O)n2nc(NCc3nc(N(C)C)no3)sc2n1 ZINC000302259013 396718892 /nfs/dbraw/zinc/71/88/92/396718892.db2.gz CRKLPQWKDCRFPL-UHFFFAOYSA-N 0 0 321.366 0.775 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H]3CCN(C)C(=O)C3)sc2n1 ZINC000302739651 396722390 /nfs/dbraw/zinc/72/23/90/396722390.db2.gz CFNDYSNOPVEKAY-SECBINFHSA-N 0 0 307.379 0.746 10 0 DCAERN CN1C[C@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375603220 396779577 /nfs/dbraw/zinc/77/95/77/396779577.db2.gz OFSFZAICGDFQNZ-GHMZBOCLSA-N 0 0 304.350 0.741 10 0 DCAERN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)CC(=O)OCC ZINC000315253112 396789290 /nfs/dbraw/zinc/78/92/90/396789290.db2.gz VWTAQSKJGDFYAE-QMMMGPOBSA-N 0 0 301.368 0.984 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H](CO)C3)C2)cn1 ZINC000304412358 396731095 /nfs/dbraw/zinc/73/10/95/396731095.db2.gz VDFHQODISCXXHE-KGLIPLIRSA-N 0 0 321.425 0.803 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000610714493 396754529 /nfs/dbraw/zinc/75/45/29/396754529.db2.gz MBDVSTKBMMCGRG-RDBSUJKOSA-N 0 0 312.410 0.945 10 0 DCAERN CO[C@H]1CCCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000590352102 396761787 /nfs/dbraw/zinc/76/17/87/396761787.db2.gz AUUKAPUDWPIMKS-LBPRGKRZSA-N 0 0 319.427 0.232 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000633987783 396763797 /nfs/dbraw/zinc/76/37/97/396763797.db2.gz HUTMEWWUMPREPX-VHSXEESVSA-N 0 0 319.287 0.509 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCC[C@H](O)C(F)F)cc1 ZINC000633993009 396765137 /nfs/dbraw/zinc/76/51/37/396765137.db2.gz BSOYIPKIUDBAEG-JTQLQIEISA-N 0 0 307.318 0.836 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)CN1CCOCC1)[C@H]2C ZINC000375524819 396765714 /nfs/dbraw/zinc/76/57/14/396765714.db2.gz ITISXONYXKXFJS-LBPRGKRZSA-N 0 0 307.398 0.637 10 0 DCAERN CCOC(=O)C[C@H](O)CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659508 396766611 /nfs/dbraw/zinc/76/66/11/396766611.db2.gz GROZUDVBKKPKPL-RYUDHWBXSA-N 0 0 307.412 0.057 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000590671626 396823392 /nfs/dbraw/zinc/82/33/92/396823392.db2.gz ZUEDADNHMMNKSQ-OCCSQVGLSA-N 0 0 309.410 0.762 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CCn2ccnc2C1 ZINC000328639755 396828913 /nfs/dbraw/zinc/82/89/13/396828913.db2.gz XBYOFKCPQZLLNU-CHWSQXEVSA-N 0 0 313.423 0.934 10 0 DCAERN CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)C1(C)CC1 ZINC000625376025 396851109 /nfs/dbraw/zinc/85/11/09/396851109.db2.gz KXKCUOCWVSBIQM-AWEZNQCLSA-N 0 0 318.439 0.074 10 0 DCAERN CC(=O)CSCC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000376026728 396865367 /nfs/dbraw/zinc/86/53/67/396865367.db2.gz SZZJNVLINXBWRI-LLVKDONJSA-N 0 0 322.452 0.191 10 0 DCAERN CS[C@@H](C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000611040078 396809601 /nfs/dbraw/zinc/80/96/01/396809601.db2.gz CIXSYDNSSCMIJO-JTQLQIEISA-N 0 0 309.457 0.463 10 0 DCAERN CC(=O)CCCC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000634512816 396873536 /nfs/dbraw/zinc/87/35/36/396873536.db2.gz XEXIMCREIWRSKV-UHFFFAOYSA-N 0 0 304.394 0.923 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2occ3c2CCOC3)C1 ZINC000376135516 396881965 /nfs/dbraw/zinc/88/19/65/396881965.db2.gz YMAHZEJGEYDYCB-LLVKDONJSA-N 0 0 307.350 0.886 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629933229 396890331 /nfs/dbraw/zinc/89/03/31/396890331.db2.gz ZADMYYNJESOIRE-GXTWGEPZSA-N 0 0 307.394 0.515 10 0 DCAERN COC(=O)[C@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614004 396894693 /nfs/dbraw/zinc/89/46/93/396894693.db2.gz AAFNRHBDRCDBHE-SWLSCSKDSA-N 0 0 317.389 0.905 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000625509221 396903553 /nfs/dbraw/zinc/90/35/53/396903553.db2.gz IGWZCPGGUUGCRL-NGFQHRJXSA-N 0 0 321.421 0.618 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000376281146 396905620 /nfs/dbraw/zinc/90/56/20/396905620.db2.gz JYECIZTVMOJUSK-UHTWSYAYSA-N 0 0 312.435 0.917 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H]1CC1(C)C ZINC000625524478 396914271 /nfs/dbraw/zinc/91/42/71/396914271.db2.gz GQHUEXSDWYDODN-NSHDSACASA-N 0 0 311.426 0.958 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000625589534 396935382 /nfs/dbraw/zinc/93/53/82/396935382.db2.gz NFUCQNYBKMRJEK-TXEJJXNPSA-N 0 0 310.375 0.774 10 0 DCAERN CCOC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000611935069 396951436 /nfs/dbraw/zinc/95/14/36/396951436.db2.gz MTYUTUKSZUNCCA-UHFFFAOYSA-N 0 0 324.362 0.470 10 0 DCAERN Cc1cc(CCNC(=O)N2CCN(c3cnn(C)c3)CC2)on1 ZINC000376862620 396987926 /nfs/dbraw/zinc/98/79/26/396987926.db2.gz YSHQKBAOSRHEOS-UHFFFAOYSA-N 0 0 318.381 0.791 10 0 DCAERN CCOCn1nc(C)c(CC(=O)N[C@H]2CCC(=O)N[C@@H]2C)c1C ZINC000630392560 397009008 /nfs/dbraw/zinc/00/90/08/397009008.db2.gz YDPYAVPBJJHPKK-RISCZKNCSA-N 0 0 322.409 0.820 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccccc2F)CCN1S(C)(=O)=O ZINC000618679375 397011645 /nfs/dbraw/zinc/01/16/45/397011645.db2.gz BOSCFCCQDWKBLC-LLVKDONJSA-N 0 0 314.382 0.861 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)c1ccco1 ZINC000618718659 397016806 /nfs/dbraw/zinc/01/68/06/397016806.db2.gz FWDYKNKIZFJOLJ-VWYCJHECSA-N 0 0 310.350 0.956 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(CCSC3)C2)C1 ZINC000572122932 397023461 /nfs/dbraw/zinc/02/34/61/397023461.db2.gz XFFCCLQJWYBUBZ-GJZGRUSLSA-N 0 0 312.435 0.979 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000630495038 397032587 /nfs/dbraw/zinc/03/25/87/397032587.db2.gz UDUMZKXJDNBCFI-LSDHHAIUSA-N 0 0 309.410 0.321 10 0 DCAERN CCC[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000618882874 397036152 /nfs/dbraw/zinc/03/61/52/397036152.db2.gz CCOHLTUYXALKOS-VWYCJHECSA-N 0 0 302.371 0.110 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]nc1CC ZINC000618882912 397036229 /nfs/dbraw/zinc/03/62/29/397036229.db2.gz GRZSJKQIFSYEDL-DTWKUNHWSA-N 0 0 310.354 0.158 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000630629621 397067612 /nfs/dbraw/zinc/06/76/12/397067612.db2.gz JYRQZUSWROZJMI-CQSZACIVSA-N 0 0 322.409 0.357 10 0 DCAERN c1c([C@@H]2COCCN2)nnn1C[C@H]1COc2ccccc2O1 ZINC000630604378 397059044 /nfs/dbraw/zinc/05/90/44/397059044.db2.gz VZSJHRPWGFFOQG-AAEUAGOBSA-N 0 0 302.334 0.779 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000626274731 397126823 /nfs/dbraw/zinc/12/68/23/397126823.db2.gz YDZAMNXRPRFKQD-SECBINFHSA-N 0 0 323.397 0.396 10 0 DCAERN CC(C)(O)[C@@H]1CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000612731074 397129193 /nfs/dbraw/zinc/12/91/93/397129193.db2.gz NUGAUGHNNIYLHU-LBPRGKRZSA-N 0 0 323.397 0.331 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)cc1 ZINC000592359735 397158966 /nfs/dbraw/zinc/15/89/66/397158966.db2.gz GVNBLMNPJIHJIJ-ZDUSSCGKSA-N 0 0 319.361 0.903 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCc2nnc3ccccn32)C1 ZINC000377930362 397165253 /nfs/dbraw/zinc/16/52/53/397165253.db2.gz CPOPMNLZEGQLGS-HNNXBMFYSA-N 0 0 301.350 0.604 10 0 DCAERN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000597835103 397118022 /nfs/dbraw/zinc/11/80/22/397118022.db2.gz LVKFLFTWPPQIJU-WCQYABFASA-N 0 0 303.362 0.823 10 0 DCAERN C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000630853669 397118549 /nfs/dbraw/zinc/11/85/49/397118549.db2.gz YQZOMOYOFRESSH-XQQFMLRXSA-N 0 0 306.414 0.996 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C[C@H](C(N)=O)O1 ZINC000378498576 397247451 /nfs/dbraw/zinc/24/74/51/397247451.db2.gz QOEGQTAZULILBQ-MXWKQRLJSA-N 0 0 313.398 0.617 10 0 DCAERN CCN1CC[C@@H](NC(=O)Nc2cccc(CC(=O)OC)n2)C1=O ZINC000619801090 397195180 /nfs/dbraw/zinc/19/51/80/397195180.db2.gz KLSMRXRKFGOHLT-LLVKDONJSA-N 0 0 320.349 0.539 10 0 DCAERN C[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000378156498 397202365 /nfs/dbraw/zinc/20/23/65/397202365.db2.gz AQDUIYBYTXGVSK-MRXNPFEDSA-N 0 0 304.346 0.933 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000626621590 397208624 /nfs/dbraw/zinc/20/86/24/397208624.db2.gz XXXZKYYKJAFZHW-JTQLQIEISA-N 0 0 308.281 0.829 10 0 DCAERN COC(=O)c1cncc(C(=O)NC2(CCO)CCOCC2)c1 ZINC000613241178 397225734 /nfs/dbraw/zinc/22/57/34/397225734.db2.gz JIVIRJGOJLAEGR-UHFFFAOYSA-N 0 0 308.334 0.530 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3C[C@@H](F)C[C@H]3CO)cc2C1=O ZINC000364618673 397228210 /nfs/dbraw/zinc/22/82/10/397228210.db2.gz YXKHERDPKFAQNY-UWVGGRQHSA-N 0 0 306.293 0.457 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)c1cccc(-c2cnco2)c1 ZINC000613378057 397250168 /nfs/dbraw/zinc/25/01/68/397250168.db2.gz RQIKDTBRPKPNQR-UHFFFAOYSA-N 0 0 314.345 0.503 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1 ZINC000364697777 397235196 /nfs/dbraw/zinc/23/51/96/397235196.db2.gz FSLSAIXHQXEHGV-CQSZACIVSA-N 0 0 304.346 0.902 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N[C@](C)(CO)COC)c1 ZINC000613534039 397274564 /nfs/dbraw/zinc/27/45/64/397274564.db2.gz HXOWKRFOROUNRT-OAHLLOKOSA-N 0 0 310.350 0.694 10 0 DCAERN CC(C)OC[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCO1 ZINC000613608893 397287924 /nfs/dbraw/zinc/28/79/24/397287924.db2.gz YGGUMMKBXFSIIT-LLVKDONJSA-N 0 0 319.361 0.842 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000398577102 397313544 /nfs/dbraw/zinc/31/35/44/397313544.db2.gz RIFHROWOISHXMP-LEWSCRJBSA-N 0 0 300.424 0.964 10 0 DCAERN COCC1(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCC1 ZINC000407953493 397334790 /nfs/dbraw/zinc/33/47/90/397334790.db2.gz LXEHLEVZJDMOTC-NSHDSACASA-N 0 0 304.412 0.632 10 0 DCAERN CC(C)(C)n1ncnc1CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000407952739 397335032 /nfs/dbraw/zinc/33/50/32/397335032.db2.gz ANDXMNIUIXDLOC-OAHLLOKOSA-N 0 0 323.397 0.734 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3O[C@H](C)C[C@H]3C)CC2)n1 ZINC000407963603 397338971 /nfs/dbraw/zinc/33/89/71/397338971.db2.gz IGKULYQSXUYNSQ-JTNHKYCSSA-N 0 0 308.382 0.836 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000407962692 397339017 /nfs/dbraw/zinc/33/90/17/397339017.db2.gz NRUGLVBZODHOGD-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000407970207 397341761 /nfs/dbraw/zinc/34/17/61/397341761.db2.gz BDZPXKFRAHRNHY-ZDUSSCGKSA-N 0 0 305.444 0.416 10 0 DCAERN C[C@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CC(=O)N1C ZINC000407969309 397341771 /nfs/dbraw/zinc/34/17/71/397341771.db2.gz INQWXANQQOCAHF-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(CNC(=O)N1CCN(C2CC2)C(=O)C1)N1CCCCC1 ZINC000407971356 397342717 /nfs/dbraw/zinc/34/27/17/397342717.db2.gz PBEJCABPJLQMPM-UHFFFAOYSA-N 0 0 308.382 0.015 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)N3CCCC3)[C@@H]2C1 ZINC000407991344 397343752 /nfs/dbraw/zinc/34/37/52/397343752.db2.gz VBGBWFHCSUPKHH-JHJVBQTASA-N 0 0 304.412 0.595 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408062200 397344841 /nfs/dbraw/zinc/34/48/41/397344841.db2.gz MCIHZBASFFZRME-ZUDIRPEPSA-N 0 0 308.378 0.701 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@@H]1O ZINC000408093005 397346044 /nfs/dbraw/zinc/34/60/44/397346044.db2.gz MOOOJYWSTUZXLL-DOLQZWNJSA-N 0 0 308.300 0.673 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000408118269 397347523 /nfs/dbraw/zinc/34/75/23/397347523.db2.gz PJKPKFMJSRXPOM-ZIAGYGMSSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)N(C)C2(C(N)=O)CCCC2)CCO1 ZINC000408191229 397348901 /nfs/dbraw/zinc/34/89/01/397348901.db2.gz DWJLSOVKGKFNGM-WDEREUQCSA-N 0 0 304.412 0.614 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000408212927 397350576 /nfs/dbraw/zinc/35/05/76/397350576.db2.gz ARAMDKZIKZYGEI-SGTLLEGYSA-N 0 0 310.485 0.358 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CC(CC(N)=O)C1)CC2 ZINC000366542021 397372910 /nfs/dbraw/zinc/37/29/10/397372910.db2.gz IDYZFQGCXQCIHQ-LLVKDONJSA-N 0 0 304.394 0.972 10 0 DCAERN CCN([C@H]1CCCOC1)S(=O)(=O)N(C)CCC(=O)OC ZINC000402801832 397323253 /nfs/dbraw/zinc/32/32/53/397323253.db2.gz PSYVPHDHAQYQAS-NSHDSACASA-N 0 0 308.400 0.227 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCc2ncn(C)n2)no1 ZINC000577344264 397323754 /nfs/dbraw/zinc/32/37/54/397323754.db2.gz SLTLMLPXIRCSHU-UHFFFAOYSA-N 0 0 307.358 0.538 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CC[S@@](=O)C2)no1 ZINC000578406883 397431325 /nfs/dbraw/zinc/43/13/25/397431325.db2.gz JSIRHYDCGHTVQW-ZPWHCFADSA-N 0 0 300.384 0.687 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000369614881 397444396 /nfs/dbraw/zinc/44/43/96/397444396.db2.gz HTRUEKYJPCDMCA-DFBGVHRSSA-N 0 0 308.378 0.309 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000468267833 397447435 /nfs/dbraw/zinc/44/74/35/397447435.db2.gz JPVFJTDJJFDVOW-DCAQKATOSA-N 0 0 307.412 0.508 10 0 DCAERN Cn1ccc(CCNC(=O)C(=O)Nc2ccc3nccn3c2)n1 ZINC000578103494 397390219 /nfs/dbraw/zinc/39/02/19/397390219.db2.gz GFVKPHYJHWVBGN-UHFFFAOYSA-N 0 0 312.333 0.365 10 0 DCAERN O=C([C@@H]1CCCC[C@H]1C(=O)N1CCNC(=O)CC1)N1CCCC1 ZINC000112279344 304328310 /nfs/dbraw/zinc/32/83/10/304328310.db2.gz KRLJBARPRIYQKS-ZIAGYGMSSA-N 0 0 321.421 0.764 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ncnc3c2ncn3C)CC1 ZINC000614523918 397464078 /nfs/dbraw/zinc/46/40/78/397464078.db2.gz IUEQPFNZXYAPID-UHFFFAOYSA-N 0 0 318.381 0.437 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC1CC1 ZINC000487384276 397470783 /nfs/dbraw/zinc/47/07/83/397470783.db2.gz ZJQZHKAFUYSSSW-UWVGGRQHSA-N 0 0 320.411 0.162 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC000488305143 397489044 /nfs/dbraw/zinc/48/90/44/397489044.db2.gz DTJPARSDWCCFJU-COPLHBTASA-N 0 0 318.373 0.899 10 0 DCAERN CC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000579737386 397591679 /nfs/dbraw/zinc/59/16/79/397591679.db2.gz KBDWLMDBCGSLQX-ZDUSSCGKSA-N 0 0 308.378 0.453 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nccn3c2)o1 ZINC000603883640 397625594 /nfs/dbraw/zinc/62/55/94/397625594.db2.gz IAFIBBXRASGAST-UHFFFAOYSA-N 0 0 306.303 0.827 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc1 ZINC000604124106 397631570 /nfs/dbraw/zinc/63/15/70/397631570.db2.gz IYBKUVQKWLRHQM-SNVBAGLBSA-N 0 0 307.350 0.495 10 0 DCAERN C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)[C@@H]1CCOC1 ZINC000608421337 397729588 /nfs/dbraw/zinc/72/95/88/397729588.db2.gz XNDZGBIPYXQDMI-VXGBXAGGSA-N 0 0 319.427 0.136 10 0 DCAERN Cc1cc(C(=O)N2CCCn3nccc32)ccc1S(N)(=O)=O ZINC000605661972 397670872 /nfs/dbraw/zinc/67/08/72/397670872.db2.gz OJJCIOLXIAJBLL-UHFFFAOYSA-N 0 0 320.374 0.889 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(C)[nH]1 ZINC000606836993 397688683 /nfs/dbraw/zinc/68/86/83/397688683.db2.gz FUPCGEZSGLKRRP-LLVKDONJSA-N 0 0 314.411 0.277 10 0 DCAERN O=C(NCc1cc[nH]n1)N1CCCN(c2cccnn2)CC1 ZINC000606971701 397692127 /nfs/dbraw/zinc/69/21/27/397692127.db2.gz QATBKESLMNDPMW-UHFFFAOYSA-N 0 0 301.354 0.622 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000609890201 397796204 /nfs/dbraw/zinc/79/62/04/397796204.db2.gz IJGNAWVBASTQGM-MNOVXSKESA-N 0 0 303.380 0.364 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C(C)(C)S(C)(=O)=O ZINC000609890292 397796378 /nfs/dbraw/zinc/79/63/78/397796378.db2.gz OJZCIOWWWLESRP-JTQLQIEISA-N 0 0 305.396 0.752 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cccnc1N(C)C ZINC000193753910 296570691 /nfs/dbraw/zinc/57/06/91/296570691.db2.gz KUHCECRCCLPRQY-ZYHUDNBSSA-N 0 0 305.382 0.471 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCSC3(CCOCC3)C2)N(C)C1 ZINC000346358256 286083668 /nfs/dbraw/zinc/08/36/68/286083668.db2.gz HHGWOOOULVAHJN-STQMWFEESA-N 0 0 314.451 0.830 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000184872475 292324350 /nfs/dbraw/zinc/32/43/50/292324350.db2.gz XPAVAYXMVWZDDZ-UHFFFAOYSA-N 0 0 308.444 0.131 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N[C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000178342066 286588855 /nfs/dbraw/zinc/58/88/55/286588855.db2.gz SENKKULYLIMASQ-DZGCQCFKSA-N 0 0 323.414 0.976 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)Cc1nsc(N(C)C)n1 ZINC000163762499 286618359 /nfs/dbraw/zinc/61/83/59/286618359.db2.gz VOEADMFSFLOBRX-SECBINFHSA-N 0 0 306.457 0.859 10 0 DCAERN CC(=O)NCCCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000031242702 157985740 /nfs/dbraw/zinc/98/57/40/157985740.db2.gz MXNSTHAKNPOHMV-UHFFFAOYSA-N 0 0 305.378 0.676 10 0 DCAERN Cn1nccc1CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000046942075 158003218 /nfs/dbraw/zinc/00/32/18/158003218.db2.gz IXVNUOCVCZLLGZ-LBPRGKRZSA-N 0 0 315.381 0.678 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nncn1C ZINC000047633190 158004558 /nfs/dbraw/zinc/00/45/58/158004558.db2.gz DRBAZGKSPAZFFX-WDEREUQCSA-N 0 0 322.390 0.855 10 0 DCAERN C[C@@H](NC(=O)c1cnns1)c1ccc(S(N)(=O)=O)cc1 ZINC000048607968 158007416 /nfs/dbraw/zinc/00/74/16/158007416.db2.gz FWYPVPFZXMGTOW-SSDOTTSWSA-N 0 0 312.376 0.677 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCNC(=O)CC1 ZINC000054258133 158020315 /nfs/dbraw/zinc/02/03/15/158020315.db2.gz HUTLQVWTDAZWRN-VXGBXAGGSA-N 0 0 310.398 0.213 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000058987824 158027286 /nfs/dbraw/zinc/02/72/86/158027286.db2.gz BPZOTAAIQOPMLE-CYBMUJFWSA-N 0 0 321.421 0.906 10 0 DCAERN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)CO)CC2=O)cc1OC ZINC000062159496 158029430 /nfs/dbraw/zinc/02/94/30/158029430.db2.gz VMZTWMZJXLXYBL-QWRGUYRKSA-N 0 0 322.361 0.554 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000063685363 158031011 /nfs/dbraw/zinc/03/10/11/158031011.db2.gz DVEGKEXMPXECLI-LBPRGKRZSA-N 0 0 316.365 0.721 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000063768407 158031176 /nfs/dbraw/zinc/03/11/76/158031176.db2.gz ZTHXMISJXUNCHT-CHWSQXEVSA-N 0 0 317.389 0.837 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000064290188 158033215 /nfs/dbraw/zinc/03/32/15/158033215.db2.gz RVHFPOOQNSRXTB-LBPRGKRZSA-N 0 0 316.365 0.721 10 0 DCAERN COCCOCCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000067861912 158041014 /nfs/dbraw/zinc/04/10/14/158041014.db2.gz PSMLMCRAMWTJGI-UHFFFAOYSA-N 0 0 308.378 0.812 10 0 DCAERN O=S(=O)(/C=C/c1ccccc1)N1CCCN(CCO)CC1 ZINC000071349319 158051217 /nfs/dbraw/zinc/05/12/17/158051217.db2.gz NZVGXUVRSWVJNX-VGOFMYFVSA-N 0 0 310.419 0.987 10 0 DCAERN C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)N1CCOCC1 ZINC000073655530 158054859 /nfs/dbraw/zinc/05/48/59/158054859.db2.gz UTUJYJURQKFPKH-NSHDSACASA-N 0 0 316.361 0.374 10 0 DCAERN O=C(NCc1cccc(-n2cncn2)c1)[C@H]1CSC(=O)N1 ZINC000073797960 158056604 /nfs/dbraw/zinc/05/66/04/158056604.db2.gz RPNYUKMJMQLYQK-LLVKDONJSA-N 0 0 303.347 0.709 10 0 DCAERN O=C(CNC(=O)c1nc2ccccc2c(=O)[nH]1)N1CCCCC1 ZINC000076405248 158065300 /nfs/dbraw/zinc/06/53/00/158065300.db2.gz MWZBLWRMTQHCMJ-UHFFFAOYSA-N 0 0 314.345 0.665 10 0 DCAERN Cc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)n1 ZINC000077178180 158067903 /nfs/dbraw/zinc/06/79/03/158067903.db2.gz YRVGWTGFHQSSBE-UHFFFAOYSA-N 0 0 311.407 0.159 10 0 DCAERN O=C(C1CC=CC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000077736102 158069951 /nfs/dbraw/zinc/06/99/51/158069951.db2.gz RGUOCHGZYWQZMU-UHFFFAOYSA-N 0 0 321.402 0.881 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000078334078 158073407 /nfs/dbraw/zinc/07/34/07/158073407.db2.gz VVIMVBZBKKNTRL-CQSZACIVSA-N 0 0 324.469 0.530 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)N1CCOCC1 ZINC000079159038 158077727 /nfs/dbraw/zinc/07/77/27/158077727.db2.gz BJEYZFKRFYIOSZ-KCXAZCMYSA-N 0 0 319.405 0.665 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCNC(=O)CC1 ZINC000080441317 158081349 /nfs/dbraw/zinc/08/13/49/158081349.db2.gz CAEYCIQJODIOSG-JTQLQIEISA-N 0 0 307.398 0.499 10 0 DCAERN C[C@@H](O)CCNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000081761618 158085510 /nfs/dbraw/zinc/08/55/10/158085510.db2.gz IZDVUSZSBGEUQG-SECBINFHSA-N 0 0 309.757 0.881 10 0 DCAERN CC(C)C[C@H](C(=O)N1CCNC(=O)CC1)N1CCCCC1=O ZINC000087294247 158092111 /nfs/dbraw/zinc/09/21/11/158092111.db2.gz CNTCWQZREAXUFH-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN NC(=O)C[C@@H](N)C(=O)Nc1ccc(Br)c(F)c1 ZINC000088084057 158093623 /nfs/dbraw/zinc/09/36/23/158093623.db2.gz RDGKVNKVLULSDD-MRVPVSSYSA-N 0 0 304.119 0.729 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NC[C@](C)(O)CO)c1cccs1 ZINC000090287195 158103954 /nfs/dbraw/zinc/10/39/54/158103954.db2.gz OHVPRESXNNYDET-GWCFXTLKSA-N 0 0 300.380 0.175 10 0 DCAERN CNC(=O)c1ccc(CNC(=O)c2csc(CN)n2)cc1 ZINC000090931397 158104545 /nfs/dbraw/zinc/10/45/45/158104545.db2.gz QOYHTMIACWVXHW-UHFFFAOYSA-N 0 0 304.375 0.891 10 0 DCAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784805 158109528 /nfs/dbraw/zinc/10/95/28/158109528.db2.gz ANLFJNURALCTKP-PRHODGIISA-N 0 0 314.288 0.445 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cscn2)C1 ZINC000092483740 158114100 /nfs/dbraw/zinc/11/41/00/158114100.db2.gz SUHQVZQMWDPYSQ-JTQLQIEISA-N 0 0 318.424 0.366 10 0 DCAERN Cc1cc(C)n2c(CN3CCCN(C(N)=O)CC3)cnc2n1 ZINC000092754139 158115821 /nfs/dbraw/zinc/11/58/21/158115821.db2.gz YZYFNJYSELPOED-UHFFFAOYSA-N 0 0 302.382 0.933 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000093172541 158119449 /nfs/dbraw/zinc/11/94/49/158119449.db2.gz SMDJRTUUOYIVSX-UHFFFAOYSA-N 0 0 320.441 0.251 10 0 DCAERN C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000109264579 158136991 /nfs/dbraw/zinc/13/69/91/158136991.db2.gz VGAQXMLOCTWEKF-WFASDCNBSA-N 0 0 306.362 0.713 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)C1 ZINC000110882323 158139122 /nfs/dbraw/zinc/13/91/22/158139122.db2.gz KCOWRZQRYIEWLC-MNOVXSKESA-N 0 0 324.406 0.834 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCc2ncnn2C1)NC1CCCCC1 ZINC000112746826 158143734 /nfs/dbraw/zinc/14/37/34/158143734.db2.gz GRNKZQBRORCUCV-LBPRGKRZSA-N 0 0 320.397 0.341 10 0 DCAERN Cc1noc(COCC(=O)N2CCC(c3nncn3C)CC2)n1 ZINC000114317281 158151966 /nfs/dbraw/zinc/15/19/66/158151966.db2.gz WAEDXKPTIGIPTB-UHFFFAOYSA-N 0 0 320.353 0.429 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1=O ZINC000114436623 158153055 /nfs/dbraw/zinc/15/30/55/158153055.db2.gz MTPCIDAROPKBBV-KRWDZBQOSA-N 0 0 317.389 0.896 10 0 DCAERN C[C@H](NC(=O)CN1CCCC[C@@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000114482419 158155137 /nfs/dbraw/zinc/15/51/37/158155137.db2.gz GHXLSBLUXPHMJA-WCQYABFASA-N 0 0 307.398 0.530 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](NC(=O)OC)C(C)C)CC2 ZINC000114870881 158159230 /nfs/dbraw/zinc/15/92/30/158159230.db2.gz HYOOBHASZFJTNG-MFKMUULPSA-N 0 0 323.397 0.652 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2c2ccco2)nn1 ZINC000116042860 158162815 /nfs/dbraw/zinc/16/28/15/158162815.db2.gz XHDCWARSRYSYJP-LBPRGKRZSA-N 0 0 317.349 0.937 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000116899454 158168654 /nfs/dbraw/zinc/16/86/54/158168654.db2.gz BCFXMPNHZXUGDD-LBPRGKRZSA-N 0 0 301.416 0.413 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)C[C@H](C)O1 ZINC000119309446 158184978 /nfs/dbraw/zinc/18/49/78/158184978.db2.gz OGINISCMZTTWLS-QWRGUYRKSA-N 0 0 302.400 0.206 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000119562215 158189135 /nfs/dbraw/zinc/18/91/35/158189135.db2.gz SQBNCUCQKWCIKK-HOCLYGCPSA-N 0 0 320.389 0.662 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119877337 158190859 /nfs/dbraw/zinc/19/08/59/158190859.db2.gz JCGIKRHHKNIBHN-SNVBAGLBSA-N 0 0 318.333 0.904 10 0 DCAERN O=C(c1ccncc1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120033801 158192584 /nfs/dbraw/zinc/19/25/84/158192584.db2.gz KOXMWEYSTRHPNV-ZDUSSCGKSA-N 0 0 309.391 0.722 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000120314820 158195962 /nfs/dbraw/zinc/19/59/62/158195962.db2.gz ZXKJSEYTJGMUFM-CYBMUJFWSA-N 0 0 317.455 0.401 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000120497504 158199694 /nfs/dbraw/zinc/19/96/94/158199694.db2.gz KIBFDNPBARPJLN-FRRDWIJNSA-N 0 0 312.414 0.641 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000120625186 158201302 /nfs/dbraw/zinc/20/13/02/158201302.db2.gz VLHUMPGOEAIYGT-UHFFFAOYSA-N 0 0 313.304 0.934 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000120634659 158201997 /nfs/dbraw/zinc/20/19/97/158201997.db2.gz XOCPDHGRAXBYJB-JTQLQIEISA-N 0 0 301.416 0.332 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000120720969 158202418 /nfs/dbraw/zinc/20/24/18/158202418.db2.gz MHEPVGTYDFYNCI-VXGBXAGGSA-N 0 0 322.413 0.562 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2F)C1 ZINC000121263614 158208901 /nfs/dbraw/zinc/20/89/01/158208901.db2.gz NHAHMDKWCMIASJ-LLVKDONJSA-N 0 0 307.325 0.891 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000121639406 158213144 /nfs/dbraw/zinc/21/31/44/158213144.db2.gz RRFOTCVUBNBVNV-JTQLQIEISA-N 0 0 317.415 0.436 10 0 DCAERN CNc1ncc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000122365005 158220835 /nfs/dbraw/zinc/22/08/35/158220835.db2.gz ZJDRUUKQKXKYNJ-QMMMGPOBSA-N 0 0 308.367 0.825 10 0 DCAERN C[C@H](CNC(=O)N[C@H](CO)c1ccccc1)N1CCOCC1 ZINC000123118320 158226587 /nfs/dbraw/zinc/22/65/87/158226587.db2.gz WILUMYRAHWKCGQ-UKRRQHHQSA-N 0 0 307.394 0.740 10 0 DCAERN O=S(=O)(Cc1ccccc1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000123656676 158233011 /nfs/dbraw/zinc/23/30/11/158233011.db2.gz PPTJQPLQIIBCCL-OAHLLOKOSA-N 0 0 310.419 0.969 10 0 DCAERN COC(=O)[C@H]1CN([C@@H](C)C(=O)NCCC(C)C)C[C@@H](C)O1 ZINC000123771356 158234307 /nfs/dbraw/zinc/23/43/07/158234307.db2.gz XFPYAGUAIPTXCJ-FRRDWIJNSA-N 0 0 300.399 0.800 10 0 DCAERN CCOC(CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)OCC ZINC000124722923 158246672 /nfs/dbraw/zinc/24/66/72/158246672.db2.gz TUNQESISTYIOJQ-CYBMUJFWSA-N 0 0 320.455 0.885 10 0 DCAERN Cc1cnc(CCN(C)C(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000124860878 158248297 /nfs/dbraw/zinc/24/82/97/158248297.db2.gz ORGYGRACUCDQFP-UHFFFAOYSA-N 0 0 324.406 0.783 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CSC(=O)N1 ZINC000125049405 158250256 /nfs/dbraw/zinc/25/02/56/158250256.db2.gz XVZTTZBMSYOPLY-SCZZXKLOSA-N 0 0 310.354 0.741 10 0 DCAERN CN(C)c1ncc(NC(=O)Cn2c(=O)cnc3ccccc32)cn1 ZINC000125082770 158251152 /nfs/dbraw/zinc/25/11/52/158251152.db2.gz UWJFKFMTDQCIAO-UHFFFAOYSA-N 0 0 324.344 0.891 10 0 DCAERN C[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000127233786 158271479 /nfs/dbraw/zinc/27/14/79/158271479.db2.gz REXUJALSQINQQQ-YPMHNXCESA-N 0 0 306.362 0.884 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)CCO2)o1 ZINC000127411848 158273122 /nfs/dbraw/zinc/27/31/22/158273122.db2.gz DDCFVBVQCBEPIL-JQWIXIFHSA-N 0 0 316.379 0.426 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000127634712 158274524 /nfs/dbraw/zinc/27/45/24/158274524.db2.gz DRQRQSSGOYCOQY-NWDGAFQWSA-N 0 0 304.412 0.484 10 0 DCAERN O=C(CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458007 158280721 /nfs/dbraw/zinc/28/07/21/158280721.db2.gz GPFGBGUDEVRMJH-ZDUSSCGKSA-N 0 0 315.439 0.109 10 0 DCAERN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1COc2ccccc21 ZINC000128570087 158282629 /nfs/dbraw/zinc/28/26/29/158282629.db2.gz CWFWCTZSQYDBJU-PWSUYJOCSA-N 0 0 315.329 0.218 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC)n2)C1 ZINC000129054096 158284657 /nfs/dbraw/zinc/28/46/57/158284657.db2.gz XOXZCUCFQWYDPT-LBPRGKRZSA-N 0 0 306.366 0.900 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000129030509 158285191 /nfs/dbraw/zinc/28/51/91/158285191.db2.gz WTICHJSUNOKIIK-NSHDSACASA-N 0 0 314.411 0.655 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000129121595 158285702 /nfs/dbraw/zinc/28/57/02/158285702.db2.gz DZIYGJLUKADWML-IJLUTSLNSA-N 0 0 309.370 0.086 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cc(Cl)c(=O)n(C)c1 ZINC000129358651 158287564 /nfs/dbraw/zinc/28/75/64/158287564.db2.gz LLHWGCXDXQYSNV-UHFFFAOYSA-N 0 0 308.725 0.728 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000130031660 158293477 /nfs/dbraw/zinc/29/34/77/158293477.db2.gz KJFGLWCNLCDEOZ-CYBMUJFWSA-N 0 0 324.425 0.603 10 0 DCAERN CN(CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)c1cccs1 ZINC000132580024 158311261 /nfs/dbraw/zinc/31/12/61/158311261.db2.gz PTGQXGPTUJICDC-WDEREUQCSA-N 0 0 323.418 0.980 10 0 DCAERN CN(CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C(=O)c1cccs1 ZINC000132580216 158311600 /nfs/dbraw/zinc/31/16/00/158311600.db2.gz PTGQXGPTUJICDC-QWRGUYRKSA-N 0 0 323.418 0.980 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000134016631 158322906 /nfs/dbraw/zinc/32/29/06/158322906.db2.gz VQYZQIUVKYGXFB-LBPRGKRZSA-N 0 0 319.409 0.845 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000134007694 158323060 /nfs/dbraw/zinc/32/30/60/158323060.db2.gz YDNCVRVNUNOMPG-ZDUSSCGKSA-N 0 0 320.455 0.981 10 0 DCAERN O=S1(=O)CCC[C@H]1CNC1=NS(=O)(=O)c2ccccc21 ZINC000134177846 158324865 /nfs/dbraw/zinc/32/48/65/158324865.db2.gz GQTGTVBUPMZPLY-VIFPVBQESA-N 0 0 314.388 0.302 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134306219 158326472 /nfs/dbraw/zinc/32/64/72/158326472.db2.gz NCAJEJZJAPJPRM-WFASDCNBSA-N 0 0 322.409 0.608 10 0 DCAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000134364495 158326872 /nfs/dbraw/zinc/32/68/72/158326872.db2.gz BKBOLEKPCZFUEP-MELADBBJSA-N 0 0 322.409 0.023 10 0 DCAERN CC(C)[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(N)=O ZINC000134756590 158331078 /nfs/dbraw/zinc/33/10/78/158331078.db2.gz VUUBDJHMSKEVCK-CQSZACIVSA-N 0 0 319.409 0.860 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000136049864 158341194 /nfs/dbraw/zinc/34/11/94/158341194.db2.gz FHKDSGHTMJGDDZ-HIFRSBDPSA-N 0 0 304.390 0.965 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(C(C)=O)CC1 ZINC000136269640 158342607 /nfs/dbraw/zinc/34/26/07/158342607.db2.gz MISKIXREIRMLGK-CYBMUJFWSA-N 0 0 312.414 0.555 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNCC(F)(F)F)CC2 ZINC000136856805 158343751 /nfs/dbraw/zinc/34/37/51/158343751.db2.gz HMXHFIDJBLYYAF-VIFPVBQESA-N 0 0 319.331 0.984 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000155288563 158350621 /nfs/dbraw/zinc/35/06/21/158350621.db2.gz TXYZZVCVHKTTSE-VXGBXAGGSA-N 0 0 322.413 0.305 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000167138507 158367095 /nfs/dbraw/zinc/36/70/95/158367095.db2.gz DEHKBEPEFCBTDW-QMMMGPOBSA-N 0 0 304.368 0.419 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)[C@H](C)CO ZINC000167329936 158368241 /nfs/dbraw/zinc/36/82/41/158368241.db2.gz ACTCPTWYOIJICV-HTQZYQBOSA-N 0 0 319.379 0.978 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3COCCN3)CC2)n1 ZINC000169023009 158372662 /nfs/dbraw/zinc/37/26/62/158372662.db2.gz LUHATKSXAYQCHC-AWEZNQCLSA-N 0 0 304.394 0.463 10 0 DCAERN Cn1ncc(N2CCN(c3cccnn3)CC2)c(Cl)c1=O ZINC000170641043 158374727 /nfs/dbraw/zinc/37/47/27/158374727.db2.gz XHEJOCGQMVYGRD-UHFFFAOYSA-N 0 0 306.757 0.550 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000171275022 158380512 /nfs/dbraw/zinc/38/05/12/158380512.db2.gz WTNRSEVNJSAPAL-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000171308648 158382494 /nfs/dbraw/zinc/38/24/94/158382494.db2.gz WKYBQMMDNHMFRN-QMMMGPOBSA-N 0 0 310.335 0.613 10 0 DCAERN CC[C@@](C)(O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000171618484 158384227 /nfs/dbraw/zinc/38/42/27/158384227.db2.gz VLCSSTYZTVZMQP-CQSZACIVSA-N 0 0 304.354 0.623 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCCN(Cc2noc(C)n2)CC1 ZINC000171592617 158384241 /nfs/dbraw/zinc/38/42/41/158384241.db2.gz KUFIDZXNKGXOFJ-GFCCVEGCSA-N 0 0 309.414 0.800 10 0 DCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000171617945 158384356 /nfs/dbraw/zinc/38/43/56/158384356.db2.gz FPHSVGJEVYZESS-ZDUSSCGKSA-N 0 0 312.414 0.017 10 0 DCAERN CC(C)[C@](C)(O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000171929503 158388866 /nfs/dbraw/zinc/38/88/66/158388866.db2.gz WRZFZAJZXVYXBM-OAHLLOKOSA-N 0 0 318.381 0.869 10 0 DCAERN C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C1CCCC1 ZINC000172094877 158389967 /nfs/dbraw/zinc/38/99/67/158389967.db2.gz UOSPIINQTWPBCD-SNVBAGLBSA-N 0 0 303.366 0.825 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)C(C)C)CC2 ZINC000172041274 158390072 /nfs/dbraw/zinc/39/00/72/158390072.db2.gz IHHFBUSCZFETCQ-ABAIWWIYSA-N 0 0 309.414 0.862 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)CC2 ZINC000172262965 158392905 /nfs/dbraw/zinc/39/29/05/158392905.db2.gz VIMYTKZECVVZCY-NSHDSACASA-N 0 0 316.365 0.676 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000172506565 158395040 /nfs/dbraw/zinc/39/50/40/158395040.db2.gz KKMQZDYJVWTWMB-UHFFFAOYSA-N 0 0 312.285 0.885 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)Nc2cc(F)cc(F)c2)n1 ZINC000172683667 158398786 /nfs/dbraw/zinc/39/87/86/158398786.db2.gz XRIRTPOEZAYOLI-UHFFFAOYSA-N 0 0 323.255 0.947 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000172753159 158399052 /nfs/dbraw/zinc/39/90/52/158399052.db2.gz FAARWTQVHFQARY-CQSZACIVSA-N 0 0 305.338 0.388 10 0 DCAERN CCc1nc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)cs1 ZINC000172794526 158399689 /nfs/dbraw/zinc/39/96/89/158399689.db2.gz ZWQBWXNAWUVJDR-UHFFFAOYSA-N 0 0 310.379 0.652 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000172805141 158399713 /nfs/dbraw/zinc/39/97/13/158399713.db2.gz IGYGHZFPDNAELT-CYBMUJFWSA-N 0 0 303.362 0.729 10 0 DCAERN O=C([C@H]1Cc2ccccc2O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761704 158399882 /nfs/dbraw/zinc/39/98/82/158399882.db2.gz YEEHQFFWAWOGQV-GDBMZVCRSA-N 0 0 302.374 0.923 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)nn1 ZINC000173197690 158403832 /nfs/dbraw/zinc/40/38/32/158403832.db2.gz MCTPIBPQWZDDTG-UHFFFAOYSA-N 0 0 324.344 0.443 10 0 DCAERN CC(C)[C@H](NC(=O)CC1CCOCC1)C(=O)N1CCOCC1 ZINC000175298874 158426647 /nfs/dbraw/zinc/42/66/47/158426647.db2.gz HZABSYZWSQBZIP-HNNXBMFYSA-N 0 0 312.410 0.803 10 0 DCAERN O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCNC(=O)C1 ZINC000175730972 158429749 /nfs/dbraw/zinc/42/97/49/158429749.db2.gz OYOCNHDJBSIDDM-UHFFFAOYSA-N 0 0 306.272 0.723 10 0 DCAERN CC[C@H](NC(=O)c1ncncc1Cl)C(=O)N1CCOCC1 ZINC000176160956 158433319 /nfs/dbraw/zinc/43/33/19/158433319.db2.gz QYKCRIHMXXQDBB-JTQLQIEISA-N 0 0 312.757 0.497 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCNC(=O)C2CCC2)C1 ZINC000176912697 158443358 /nfs/dbraw/zinc/44/33/58/158443358.db2.gz HERXPUKRFMOGHK-LBPRGKRZSA-N 0 0 317.455 0.859 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000177038002 158444116 /nfs/dbraw/zinc/44/41/16/158444116.db2.gz SOCAEKVBZSXKCI-MRXNPFEDSA-N 0 0 303.362 0.836 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000177932836 158451107 /nfs/dbraw/zinc/45/11/07/158451107.db2.gz FKEWNOGYBWVDGY-AAEUAGOBSA-N 0 0 306.366 0.721 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1ccc(-n2cnnn2)cc1 ZINC000178092717 158453725 /nfs/dbraw/zinc/45/37/25/158453725.db2.gz HRHMEZGBVWQNKJ-HNNXBMFYSA-N 0 0 317.349 0.181 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000178840178 158464504 /nfs/dbraw/zinc/46/45/04/158464504.db2.gz CUFNNGJITLYQPD-LBPRGKRZSA-N 0 0 321.312 0.652 10 0 DCAERN Cn1ccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000183008446 158495890 /nfs/dbraw/zinc/49/58/90/158495890.db2.gz ZLWAGKNHORKSSQ-ZDUSSCGKSA-N 0 0 320.393 0.060 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184397576 158507847 /nfs/dbraw/zinc/50/78/47/158507847.db2.gz IIMNFHSEWLDPMV-INIZCTEOSA-N 0 0 322.409 0.780 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000185028345 158514243 /nfs/dbraw/zinc/51/42/43/158514243.db2.gz NTPIXTVPIJDKAZ-LBPRGKRZSA-N 0 0 314.411 0.521 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000187325086 158536910 /nfs/dbraw/zinc/53/69/10/158536910.db2.gz OBYFZBWEOGVVBR-DOMZBBRYSA-N 0 0 300.399 0.984 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000187994719 158541970 /nfs/dbraw/zinc/54/19/70/158541970.db2.gz DWPRFCNOBPKBDE-ZDUSSCGKSA-N 0 0 317.345 0.781 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000188511801 158544900 /nfs/dbraw/zinc/54/49/00/158544900.db2.gz QMYAAQHLUHWJEQ-MRVPVSSYSA-N 0 0 310.354 0.467 10 0 DCAERN O=C(NCC1(CCO)CC1)Nc1cccnc1-n1cncn1 ZINC000188800605 158546753 /nfs/dbraw/zinc/54/67/53/158546753.db2.gz HTGGZVDCTKJWHO-UHFFFAOYSA-N 0 0 302.338 0.946 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)CC2 ZINC000189146637 158550555 /nfs/dbraw/zinc/55/05/55/158550555.db2.gz VHKWNCKDRZUWEM-AGIUHOORSA-N 0 0 321.425 0.986 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1CO)CC2 ZINC000190554686 158561609 /nfs/dbraw/zinc/56/16/09/158561609.db2.gz QCPLUDQILZZLNU-TUAOUCFPSA-N 0 0 307.398 0.568 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccnc1Cl ZINC000190667429 158562282 /nfs/dbraw/zinc/56/22/82/158562282.db2.gz ADOXQUYYDWQNBW-MRVPVSSYSA-N 0 0 310.741 0.411 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C[C@@H](C)O1 ZINC000190894888 158563864 /nfs/dbraw/zinc/56/38/64/158563864.db2.gz CSUFACYNBIPENC-KGYLQXTDSA-N 0 0 323.397 0.867 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)C1 ZINC000191925589 158572770 /nfs/dbraw/zinc/57/27/70/158572770.db2.gz MNSRUDJCXDDHDG-OCCSQVGLSA-N 0 0 320.393 0.170 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000193478759 158585206 /nfs/dbraw/zinc/58/52/06/158585206.db2.gz SUNLTGCYCDGEBQ-TZMCWYRMSA-N 0 0 315.304 0.934 10 0 DCAERN CC(=O)CCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000194538897 158597257 /nfs/dbraw/zinc/59/72/57/158597257.db2.gz INWTWZGXUQFVIF-CQSZACIVSA-N 0 0 310.394 0.843 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2COc3ccccc32)cn1 ZINC000195196504 158607449 /nfs/dbraw/zinc/60/74/49/158607449.db2.gz VMVXBXVNZLILAU-LBPRGKRZSA-N 0 0 315.333 0.884 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)CCCC(F)(F)F)CCO1 ZINC000213788656 158613299 /nfs/dbraw/zinc/61/32/99/158613299.db2.gz PPOBRCOUNJRMTD-QMMMGPOBSA-N 0 0 319.301 0.533 10 0 DCAERN CCOC(=O)CCCNS(=O)(=O)c1c(Cl)cnn1C ZINC000228059705 158619525 /nfs/dbraw/zinc/61/95/25/158619525.db2.gz NEYVUDTYZCIJCX-UHFFFAOYSA-N 0 0 309.775 0.695 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CC1(O)CCCC1 ZINC000119823529 297157448 /nfs/dbraw/zinc/15/74/48/297157448.db2.gz BTBYNNALBAFXSH-NEPJUHHUSA-N 0 0 306.428 0.577 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)N1CCCC1=O ZINC000247247075 158679510 /nfs/dbraw/zinc/67/95/10/158679510.db2.gz ZQAZHCBPWWEQPQ-MBNYWOFBSA-N 0 0 309.410 0.794 10 0 DCAERN CC(C)n1cc2c(n1)C[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)CC2 ZINC000262362008 158804072 /nfs/dbraw/zinc/80/40/72/158804072.db2.gz VFFRYHMFZBHCDV-KYOSRNDESA-N 0 0 306.410 0.814 10 0 DCAERN COC(=O)[C@H]1COCCN1C[C@H](O)COCc1ccccc1 ZINC000269649158 158906141 /nfs/dbraw/zinc/90/61/41/158906141.db2.gz QBSNITSXCJKCJK-LSDHHAIUSA-N 0 0 309.362 0.438 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000285406164 158964787 /nfs/dbraw/zinc/96/47/87/158964787.db2.gz HEROEDUYHHZQFP-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000299914260 158978465 /nfs/dbraw/zinc/97/84/65/158978465.db2.gz FEDLJUWRIVVWDF-QWRGUYRKSA-N 0 0 308.400 0.083 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3CO)C2)cn1 ZINC000304421319 158985943 /nfs/dbraw/zinc/98/59/43/158985943.db2.gz XVAUSIXCUUXBGO-QWHCGFSZSA-N 0 0 307.398 0.555 10 0 DCAERN CN1CN(S(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1=O ZINC000328634437 159015284 /nfs/dbraw/zinc/01/52/84/159015284.db2.gz BLOUVKXYBMRWOE-UHFFFAOYSA-N 0 0 310.375 0.820 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000328657484 159017497 /nfs/dbraw/zinc/01/74/97/159017497.db2.gz PBWPGPRMPZAMDB-HUUCEWRRSA-N 0 0 322.430 0.906 10 0 DCAERN Cc1noc([C@@H](C)N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669555 159019570 /nfs/dbraw/zinc/01/95/70/159019570.db2.gz MBUUGFJJMLDBMN-RISCZKNCSA-N 0 0 319.409 0.820 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN(C2CC2)C(=O)C1 ZINC000328695268 159022278 /nfs/dbraw/zinc/02/22/78/159022278.db2.gz CZIULASCDSFBMZ-GOEBONIOSA-N 0 0 315.373 0.992 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@@H](c3noc(C)n3)C2)n1 ZINC000328722265 159024045 /nfs/dbraw/zinc/02/40/45/159024045.db2.gz XKMVMEXTCHYSED-GFCCVEGCSA-N 0 0 318.333 0.924 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@H](n2cccn2)C1 ZINC000328717309 159024224 /nfs/dbraw/zinc/02/42/24/159024224.db2.gz ULZVHTZFGWETMC-LBPRGKRZSA-N 0 0 300.384 0.097 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@]2(CCOC2)C1)N1CCCCC1=O ZINC000328733042 159025005 /nfs/dbraw/zinc/02/50/05/159025005.db2.gz HLBRQEUIKFFVRI-CZUORRHYSA-N 0 0 310.394 0.795 10 0 DCAERN C[C@@H](CC(=O)N1CCN2CCOC[C@H]2C1)N1CCCCC1=O ZINC000328753556 159026665 /nfs/dbraw/zinc/02/66/65/159026665.db2.gz NUNIXIDTNJVCAV-UONOGXRCSA-N 0 0 309.410 0.321 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1N1CCOCC1 ZINC000328766018 159028412 /nfs/dbraw/zinc/02/84/12/159028412.db2.gz GZXBKQNZAKNWGI-LALPHHSUSA-N 0 0 319.409 0.089 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCCN(C)C3=O)no2)c1 ZINC000328793988 159029646 /nfs/dbraw/zinc/02/96/46/159029646.db2.gz SFIXZVCFHYWGCA-LBPRGKRZSA-N 0 0 317.349 0.578 10 0 DCAERN CN1CCO[C@@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@H]21 ZINC000328840206 159033173 /nfs/dbraw/zinc/03/31/73/159033173.db2.gz OALYRDQMLNHAJL-VXGBXAGGSA-N 0 0 317.798 0.439 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000328874826 159036786 /nfs/dbraw/zinc/03/67/86/159036786.db2.gz RUIRPMHBQWPDDT-LLVKDONJSA-N 0 0 309.391 0.463 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328888406 159038045 /nfs/dbraw/zinc/03/80/45/159038045.db2.gz QBVLQRDTMQWCTN-KFWWJZLASA-N 0 0 306.410 0.992 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000328916300 159041268 /nfs/dbraw/zinc/04/12/68/159041268.db2.gz AIKTZQPNULTXJJ-QWRGUYRKSA-N 0 0 304.306 0.704 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@H]21 ZINC000328932292 159043137 /nfs/dbraw/zinc/04/31/37/159043137.db2.gz DHXKFUZBFZUAFT-HUUCEWRRSA-N 0 0 306.362 0.703 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CCC[C@H]1Cn1ccnn1 ZINC000328939643 159044946 /nfs/dbraw/zinc/04/49/46/159044946.db2.gz SAKZYPYAIFGVAG-NSHDSACASA-N 0 0 322.394 0.274 10 0 DCAERN O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329010528 159051536 /nfs/dbraw/zinc/05/15/36/159051536.db2.gz DMASUCPNGIXRKH-STQMWFEESA-N 0 0 320.393 0.720 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329056851 159056982 /nfs/dbraw/zinc/05/69/82/159056982.db2.gz YCYMZZLZUVZUEK-BXUZGUMPSA-N 0 0 319.409 0.769 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2cnccn2)C[C@@H](C)O1 ZINC000329132016 159065675 /nfs/dbraw/zinc/06/56/75/159065675.db2.gz YDDFDVYZSONTJM-VXGBXAGGSA-N 0 0 314.411 0.305 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)CN1CCCS1(=O)=O ZINC000329135958 159066753 /nfs/dbraw/zinc/06/67/53/159066753.db2.gz CMBRMUMGRDFIGQ-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN O=C(c1cc(F)cc2n[nH]nc21)N1CCC[C@H]1Cn1ccnn1 ZINC000329153194 159067113 /nfs/dbraw/zinc/06/71/13/159067113.db2.gz AZMJTGPZMMDKHS-JTQLQIEISA-N 0 0 315.312 0.993 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CCC[C@H](n2cncn2)C1 ZINC000329241518 159075630 /nfs/dbraw/zinc/07/56/30/159075630.db2.gz NQXNXUXULRYSSP-ZDUSSCGKSA-N 0 0 314.411 0.671 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329273212 159078227 /nfs/dbraw/zinc/07/82/27/159078227.db2.gz IWXJAFGWIANOMA-ZJUUUORDSA-N 0 0 308.338 0.736 10 0 DCAERN CN(C(=O)c1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCOC1 ZINC000329282308 159079028 /nfs/dbraw/zinc/07/90/28/159079028.db2.gz KVKWSRBIYSWYFM-CYBMUJFWSA-N 0 0 317.345 0.804 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@H]1CCCCNC1=O ZINC000329298710 159080273 /nfs/dbraw/zinc/08/02/73/159080273.db2.gz USPABSYCIDBEPA-GHMZBOCLSA-N 0 0 317.411 0.413 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@]2(CCCO2)[C@H]1C(C)C ZINC000329310567 159081581 /nfs/dbraw/zinc/08/15/81/159081581.db2.gz CGNYRMBNKICXGA-NHIYQJMISA-N 0 0 310.394 0.384 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000329326022 159082232 /nfs/dbraw/zinc/08/22/32/159082232.db2.gz TYKDGQGXCUZSOG-ZNMIVQPWSA-N 0 0 317.389 0.973 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@](C)(OC)C2)nn1 ZINC000329333887 159083165 /nfs/dbraw/zinc/08/31/65/159083165.db2.gz NSUQKZUHPQJCTO-NFAWXSAZSA-N 0 0 324.381 0.506 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000329376745 159086788 /nfs/dbraw/zinc/08/67/88/159086788.db2.gz LNMYETSRDITKMT-VXGBXAGGSA-N 0 0 316.423 0.628 10 0 DCAERN O=C(c1ccccn1)N1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329524744 159100042 /nfs/dbraw/zinc/10/00/42/159100042.db2.gz SGIXVVILFLIQSD-CFVMTHIKSA-N 0 0 315.373 0.791 10 0 DCAERN C[C@@H]1CN(C(=O)c2snnc2C2CC2)CCS1(=O)=O ZINC000329561399 159103167 /nfs/dbraw/zinc/10/31/67/159103167.db2.gz JEPMSGKGBYBIBG-SSDOTTSWSA-N 0 0 301.393 0.675 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CCN(C3CC3)CC2)c1C ZINC000329581535 159104963 /nfs/dbraw/zinc/10/49/63/159104963.db2.gz AEUOXVZMYJWTSJ-UHFFFAOYSA-N 0 0 312.439 0.989 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@](C)(OC)C1CC1)C2 ZINC000329634519 159108326 /nfs/dbraw/zinc/10/83/26/159108326.db2.gz TYOJIXBNEUOOOU-MRXNPFEDSA-N 0 0 305.378 0.963 10 0 DCAERN CC[C@@]1(C)COCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329658878 159110267 /nfs/dbraw/zinc/11/02/67/159110267.db2.gz NVQWJZKCNJXPKZ-NFAWXSAZSA-N 0 0 324.381 0.506 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2COCCN2C1=O ZINC000329702280 159113206 /nfs/dbraw/zinc/11/32/06/159113206.db2.gz HTPRXFIYKIOEKK-WCFLWFBJSA-N 0 0 320.349 0.161 10 0 DCAERN CN1CN(C(=O)CN2c3ccccc3CCCC2=O)CC1=O ZINC000329834683 159122970 /nfs/dbraw/zinc/12/29/70/159122970.db2.gz LEMCDKUHCWVGJS-UHFFFAOYSA-N 0 0 301.346 0.614 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@H](Oc2ccncc2)C1 ZINC000329870521 159124922 /nfs/dbraw/zinc/12/49/22/159124922.db2.gz ADJLWEWWXCJKGB-OCCSQVGLSA-N 0 0 312.391 0.901 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@H]1OC ZINC000329874489 159125083 /nfs/dbraw/zinc/12/50/83/159125083.db2.gz CWUFBIDOWZNYSC-CYZMBNFOSA-N 0 0 309.366 0.410 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@H](CO)O[C@@H](C)C2)cn1 ZINC000329972281 159133163 /nfs/dbraw/zinc/13/31/63/159133163.db2.gz YAODKXWYNXWXEX-PMOUVXMZSA-N 0 0 323.393 0.589 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)Cn1ncc(=O)c3ccccc31)C2 ZINC000330064655 159139386 /nfs/dbraw/zinc/13/93/86/159139386.db2.gz RICSLGPGWJLOBG-UHFFFAOYSA-N 0 0 324.344 0.339 10 0 DCAERN O=C(COc1ccc2c(c1)CCC(=O)N2)N1CC(O)(C2CC2)C1 ZINC000330079443 159140027 /nfs/dbraw/zinc/14/00/27/159140027.db2.gz IOUBDKRFQZTNKL-UHFFFAOYSA-N 0 0 316.357 0.933 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330089702 159141181 /nfs/dbraw/zinc/14/11/81/159141181.db2.gz WBKOZWHRFFWQQM-FAAHXZRKSA-N 0 0 320.393 0.039 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000330096496 159141617 /nfs/dbraw/zinc/14/16/17/159141617.db2.gz XMDVXPJTPYFNSX-CLWVCHIJSA-N 0 0 316.405 0.934 10 0 DCAERN COc1cccc(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000330136069 159145057 /nfs/dbraw/zinc/14/50/57/159145057.db2.gz TXWOLQPOHAYMHZ-DZGCQCFKSA-N 0 0 319.405 0.812 10 0 DCAERN CO[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C[C@@H]1OC ZINC000330175115 159147845 /nfs/dbraw/zinc/14/78/45/159147845.db2.gz IULQVGVZTUMSHF-MXAVVETBSA-N 0 0 323.393 0.678 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000330207344 159150626 /nfs/dbraw/zinc/15/06/26/159150626.db2.gz FZLFAFQHLDVHOJ-GZBFAFLISA-N 0 0 320.393 0.041 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@]2(O)CCSC2)C1 ZINC000330219630 159151542 /nfs/dbraw/zinc/15/15/42/159151542.db2.gz PRFHFJGOZLOCHP-BREBYQMCSA-N 0 0 313.379 0.534 10 0 DCAERN CO[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1OC ZINC000330231633 159152398 /nfs/dbraw/zinc/15/23/98/159152398.db2.gz WZFMAQBYIXUPDH-KBPBESRZSA-N 0 0 302.334 0.753 10 0 DCAERN Cc1nccn1-c1cncc(N2CCS(=O)(=O)C[C@H](C)C2)n1 ZINC000330331638 159160700 /nfs/dbraw/zinc/16/07/00/159160700.db2.gz OGIHEXLCQTZOIL-LLVKDONJSA-N 0 0 321.406 0.842 10 0 DCAERN Cn1ccc([C@@H]2NC(=O)N([C@H]3CC(=O)N(C(C)(C)C)C3)C2=O)n1 ZINC000330350146 159162440 /nfs/dbraw/zinc/16/24/40/159162440.db2.gz KSQPSIMXVZJNLU-CABZTGNLSA-N 0 0 319.365 0.617 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@H](COC)OC(C)(C)C1 ZINC000330387875 159166574 /nfs/dbraw/zinc/16/65/74/159166574.db2.gz CDYMEDHRCYUYKH-LLVKDONJSA-N 0 0 317.411 0.718 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)COCC(F)(F)F ZINC000330428248 159171799 /nfs/dbraw/zinc/17/17/99/159171799.db2.gz KYFXVVCMEHITJI-VXNVDRBHSA-N 0 0 314.329 0.991 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCC(=O)N(C)C1)CCC2 ZINC000332694226 159210870 /nfs/dbraw/zinc/21/08/70/159210870.db2.gz WULJYBYQWQZULQ-OLZOCXBDSA-N 0 0 319.409 0.989 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCC[C@H]2CCO[C@@H](C)C2)C1 ZINC000332794818 159213798 /nfs/dbraw/zinc/21/37/98/159213798.db2.gz PJBVBGKEDVAHJV-XDQVBPFNSA-N 0 0 300.399 0.983 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CN(c3ccccc3)C2=O)O1 ZINC000332847342 159215287 /nfs/dbraw/zinc/21/52/87/159215287.db2.gz PWLYVYJYIKNTPY-WOPDTQHZSA-N 0 0 303.318 0.601 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)C1 ZINC000332879112 159216494 /nfs/dbraw/zinc/21/64/94/159216494.db2.gz REUDJKYHSFHUQY-KBUPBQIOSA-N 0 0 324.421 0.803 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@H]3CCC[C@@H]32)C1 ZINC000332935181 159217099 /nfs/dbraw/zinc/21/70/99/159217099.db2.gz AJXQVPTUYPNMNI-AVGNSLFASA-N 0 0 310.398 0.753 10 0 DCAERN CN1CN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1=O ZINC000360474328 159270009 /nfs/dbraw/zinc/27/00/09/159270009.db2.gz OIXUEFUMVGWWGZ-UHFFFAOYSA-N 0 0 324.768 0.499 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2nc(C)c(C)s2)C[C@@H]1OC ZINC000362887086 159273135 /nfs/dbraw/zinc/27/31/35/159273135.db2.gz VBQLPGWTHDCWBE-UWVGGRQHSA-N 0 0 306.409 0.794 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000366813102 159289179 /nfs/dbraw/zinc/28/91/79/159289179.db2.gz WHPQTVZJHNWCKS-CHWSQXEVSA-N 0 0 306.410 0.745 10 0 DCAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CCCO)C2=O ZINC000367102225 159313558 /nfs/dbraw/zinc/31/35/58/159313558.db2.gz VIUHQHPRKXJXPK-ABAIWWIYSA-N 0 0 311.382 0.328 10 0 DCAERN CCOCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367250961 159324686 /nfs/dbraw/zinc/32/46/86/159324686.db2.gz BEJOGBXKRCAKQI-OLZOCXBDSA-N 0 0 300.399 0.890 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000367641001 159348695 /nfs/dbraw/zinc/34/86/95/159348695.db2.gz BIMWUJHWPGDATA-LLVKDONJSA-N 0 0 302.330 0.920 10 0 DCAERN C[C@H](NC(=O)CN1CCOCC[C@H]1C)C(=O)N1CCCCC1 ZINC000367662226 159349048 /nfs/dbraw/zinc/34/90/48/159349048.db2.gz NRYAWTVPHWJARA-KGLIPLIRSA-N 0 0 311.426 0.614 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000368143458 159378042 /nfs/dbraw/zinc/37/80/42/159378042.db2.gz DDIRXSHRSGGGGV-OLZOCXBDSA-N 0 0 317.455 0.547 10 0 DCAERN O=C(NCc1cccc2c1OCO2)N1CCN2CCOC[C@H]2C1 ZINC000368300661 159385865 /nfs/dbraw/zinc/38/58/65/159385865.db2.gz AGVQVXWKUIHFNE-CYBMUJFWSA-N 0 0 319.361 0.641 10 0 DCAERN CN1C[C@@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCN2C1=O ZINC000370104454 159497741 /nfs/dbraw/zinc/49/77/41/159497741.db2.gz VTUYSTJJROBWBB-GFCCVEGCSA-N 0 0 313.361 0.684 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000371690874 159581433 /nfs/dbraw/zinc/58/14/33/159581433.db2.gz ZRTHEDBRPNTEAX-STQMWFEESA-N 0 0 319.386 0.439 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 ZINC000372454460 159624648 /nfs/dbraw/zinc/62/46/48/159624648.db2.gz JQYHUWVHUCZNAC-NWDGAFQWSA-N 0 0 303.366 0.897 10 0 DCAERN CC(C)NS(=O)(=O)NCCNC(=O)N1CCCC12CCC2 ZINC000373208633 159667773 /nfs/dbraw/zinc/66/77/73/159667773.db2.gz ZXSAYCFNFCPLFW-UHFFFAOYSA-N 0 0 318.443 0.547 10 0 DCAERN COc1cncc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000374759759 159750513 /nfs/dbraw/zinc/75/05/13/159750513.db2.gz OAHPTVDIBBRZGI-SMDDNHRTSA-N 0 0 321.377 0.783 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374804934 159753322 /nfs/dbraw/zinc/75/33/22/159753322.db2.gz FNHMYSLUHUJGOO-YGRLFVJLSA-N 0 0 300.318 0.890 10 0 DCAERN O=C(c1cc(F)cc2nccnc21)N1CCN2CCOC[C@@H]2C1 ZINC000374961213 159762573 /nfs/dbraw/zinc/76/25/73/159762573.db2.gz HTAUPRPRODHNHU-LBPRGKRZSA-N 0 0 316.336 0.926 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC12CCC2 ZINC000377084495 159896867 /nfs/dbraw/zinc/89/68/67/159896867.db2.gz RUPYOZQUQYWLOW-UHFFFAOYSA-N 0 0 324.468 0.616 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1cccc(F)c1 ZINC000407957862 159996946 /nfs/dbraw/zinc/99/69/46/159996946.db2.gz PWAJHXVRBAIGJR-UHFFFAOYSA-N 0 0 300.355 0.866 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC(=O)N1C ZINC000407971607 159999959 /nfs/dbraw/zinc/99/99/59/159999959.db2.gz PYPLXMQSFKWAFN-YPMHNXCESA-N 0 0 307.394 0.324 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000407972036 160000009 /nfs/dbraw/zinc/00/00/09/160000009.db2.gz RRZHIWWEBPZWDP-GFCCVEGCSA-N 0 0 309.410 0.714 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000407971860 160000184 /nfs/dbraw/zinc/00/01/84/160000184.db2.gz JXBFZQLMTQFEFU-NWDGAFQWSA-N 0 0 304.412 0.486 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407976216 160000824 /nfs/dbraw/zinc/00/08/24/160000824.db2.gz ZEVKKFRNMKAGRN-MNOVXSKESA-N 0 0 321.425 0.840 10 0 DCAERN CC1(C)C[C@H](NS(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000407984147 160002315 /nfs/dbraw/zinc/00/23/15/160002315.db2.gz VYIKVXBMSLRAQL-SNVBAGLBSA-N 0 0 313.441 0.298 10 0 DCAERN O=C(NCCO)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000407983683 160002359 /nfs/dbraw/zinc/00/23/59/160002359.db2.gz DXAVSZSDDGHTBG-UHFFFAOYSA-N 0 0 315.439 0.412 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000407989922 160004135 /nfs/dbraw/zinc/00/41/35/160004135.db2.gz ZHBKUVPJYSDXAY-UHFFFAOYSA-N 0 0 311.430 0.574 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000407993388 160005021 /nfs/dbraw/zinc/00/50/21/160005021.db2.gz XYFTTWPSWAZPCQ-BLLLJJGKSA-N 0 0 307.394 0.374 10 0 DCAERN Cc1cc(CO)oc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000407994286 160005939 /nfs/dbraw/zinc/00/59/39/160005939.db2.gz BDHPPZPPXRRHNL-UHFFFAOYSA-N 0 0 316.379 0.188 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000407999761 160006768 /nfs/dbraw/zinc/00/67/68/160006768.db2.gz VPCXWISZPSRPQG-AWEZNQCLSA-N 0 0 323.418 0.325 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000407999461 160007215 /nfs/dbraw/zinc/00/72/15/160007215.db2.gz VZETVKNOQMLZCT-GRYCIOLGSA-N 0 0 305.444 0.617 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cn[nH]c2)CC1 ZINC000408002563 160008047 /nfs/dbraw/zinc/00/80/47/160008047.db2.gz DUBZPGILSQQXAO-JTQLQIEISA-N 0 0 315.399 0.148 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408004054 160008906 /nfs/dbraw/zinc/00/89/06/160008906.db2.gz LBWZXBNFIWNEPX-MGPQQGTHSA-N 0 0 309.410 0.923 10 0 DCAERN Cc1c(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cnn1C ZINC000408009892 160009807 /nfs/dbraw/zinc/00/98/07/160009807.db2.gz WXOLCGWPDZTUAM-OAHLLOKOSA-N 0 0 305.382 0.540 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010370 160010447 /nfs/dbraw/zinc/01/04/47/160010447.db2.gz UXRPKMAAGKJNQA-NWDGAFQWSA-N 0 0 305.444 0.150 10 0 DCAERN O=C(c1csnn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408014686 160010924 /nfs/dbraw/zinc/01/09/24/160010924.db2.gz YYHBPJUDKXTLOL-SNVBAGLBSA-N 0 0 310.379 0.249 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408016023 160011966 /nfs/dbraw/zinc/01/19/66/160011966.db2.gz HBWPRVORZXMAFT-STQMWFEESA-N 0 0 306.428 0.146 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408019818 160012824 /nfs/dbraw/zinc/01/28/24/160012824.db2.gz BBKRXGUPNKGERA-IACUBPJLSA-N 0 0 321.377 0.329 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408018273 160012947 /nfs/dbraw/zinc/01/29/47/160012947.db2.gz ZPHMFMYAFMVJJR-YNEHKIRRSA-N 0 0 306.428 0.146 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408019654 160013306 /nfs/dbraw/zinc/01/33/06/160013306.db2.gz YGMNVHFJRUCZHS-OCCSQVGLSA-N 0 0 318.439 0.710 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000408019188 160013338 /nfs/dbraw/zinc/01/33/38/160013338.db2.gz WZFRMQQHNWJHBI-QWRGUYRKSA-N 0 0 314.411 0.537 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408027172 160015098 /nfs/dbraw/zinc/01/50/98/160015098.db2.gz LXBFXDGPGSLBIF-RNJOBUHISA-N 0 0 322.427 0.076 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3COCCN3C)CCO2)cn1 ZINC000408029617 160015728 /nfs/dbraw/zinc/01/57/28/160015728.db2.gz IDEFUSUZSNUQKV-ZIAGYGMSSA-N 0 0 308.382 0.134 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)o1 ZINC000408030257 160016618 /nfs/dbraw/zinc/01/66/18/160016618.db2.gz YHWLRJZDTRUCDL-NWDGAFQWSA-N 0 0 300.380 0.682 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408031500 160016745 /nfs/dbraw/zinc/01/67/45/160016745.db2.gz UXJWZEBUXOBIMB-UHFFFAOYSA-N 0 0 318.439 0.876 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408035833 160018337 /nfs/dbraw/zinc/01/83/37/160018337.db2.gz NSLQPIGKMTUIHT-ZDUSSCGKSA-N 0 0 318.381 0.803 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)O1 ZINC000408035309 160018606 /nfs/dbraw/zinc/01/86/06/160018606.db2.gz KKAUVMNRZUDLIY-JHJVBQTASA-N 0 0 320.393 0.433 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1CCOC2(CCC2)C1 ZINC000408042805 160020818 /nfs/dbraw/zinc/02/08/18/160020818.db2.gz TZRIBIQNUTXJPK-UHFFFAOYSA-N 0 0 311.425 0.006 10 0 DCAERN CCS(=O)(=O)NCCN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046538 160021888 /nfs/dbraw/zinc/02/18/88/160021888.db2.gz XDXPLBZHKGEIGT-MGPQQGTHSA-N 0 0 320.455 0.178 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)NCC(=O)N(C)C2CCCCC2)C1 ZINC000408049396 160022480 /nfs/dbraw/zinc/02/24/80/160022480.db2.gz YYTJVRHVOBDXHT-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000408048201 160023078 /nfs/dbraw/zinc/02/30/78/160023078.db2.gz LTTWWNKIKZIRBE-LLVKDONJSA-N 0 0 316.405 0.872 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@]3(CCCOC3)C2)C1 ZINC000408052338 160023869 /nfs/dbraw/zinc/02/38/69/160023869.db2.gz LGFBETAABOXHND-DLBZAZTESA-N 0 0 324.421 0.779 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2C[C@@H](F)C[C@H]2CO)CC1 ZINC000408052754 160024468 /nfs/dbraw/zinc/02/44/68/160024468.db2.gz MGTUCEWUNBYOIZ-RYUDHWBXSA-N 0 0 301.362 0.311 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)nc1C ZINC000408058015 160025103 /nfs/dbraw/zinc/02/51/03/160025103.db2.gz DOOIWZQNCCENQN-SECBINFHSA-N 0 0 321.424 0.019 10 0 DCAERN Cc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1 ZINC000408055387 160025216 /nfs/dbraw/zinc/02/52/16/160025216.db2.gz XSHVGOMATOQYPC-NEPJUHHUSA-N 0 0 310.325 0.999 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(C)(OC)C1 ZINC000408057030 160025326 /nfs/dbraw/zinc/02/53/26/160025326.db2.gz OUTPBXWDSAIHCN-NSHDSACASA-N 0 0 304.412 0.438 10 0 DCAERN O=C(C[C@H]1CCOC1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408055429 160025397 /nfs/dbraw/zinc/02/53/97/160025397.db2.gz YBYHOBIPKPMOAZ-UPJWGTAASA-N 0 0 314.357 0.211 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408066409 160027321 /nfs/dbraw/zinc/02/73/21/160027321.db2.gz YAWDTHUKISCVOR-UPJWGTAASA-N 0 0 305.382 0.685 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408073353 160029307 /nfs/dbraw/zinc/02/93/07/160029307.db2.gz QGWXRZFCBRVVHY-NHCYSSNCSA-N 0 0 304.412 0.183 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3cc(C)cc(=O)[nH]3)CCN2C)n1 ZINC000408071748 160029475 /nfs/dbraw/zinc/02/94/75/160029475.db2.gz LHCDHRXLBQLVCT-LBPRGKRZSA-N 0 0 317.349 0.916 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](O)C[C@@H]2C)c(C)o1 ZINC000408079843 160031057 /nfs/dbraw/zinc/03/10/57/160031057.db2.gz KSYJVEZBOUKERN-WPRPVWTQSA-N 0 0 316.379 0.482 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)NC1CCS(=O)CC1 ZINC000408088226 160032542 /nfs/dbraw/zinc/03/25/42/160032542.db2.gz IIDDLCWPIJJEEH-UHFFFAOYSA-N 0 0 323.827 0.507 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000408094482 160034014 /nfs/dbraw/zinc/03/40/14/160034014.db2.gz SGPLFYLHUGTWLT-RAIGVLPGSA-N 0 0 312.435 0.917 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408094081 160034436 /nfs/dbraw/zinc/03/44/36/160034436.db2.gz FBFUWFHWYDNOQG-RYMFRWLXSA-N 0 0 311.378 0.574 10 0 DCAERN COC1(C)CN(S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)C1 ZINC000408107604 160037004 /nfs/dbraw/zinc/03/70/04/160037004.db2.gz OTRKNVHLQSYNRM-UHFFFAOYSA-N 0 0 315.395 0.136 10 0 DCAERN CC1(C)CCCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 ZINC000408116020 160039823 /nfs/dbraw/zinc/03/98/23/160039823.db2.gz NUADXMDHPYUGFW-UHFFFAOYSA-N 0 0 314.411 0.569 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@](F)(CO)C2)c(=O)c2ccccc21 ZINC000408119546 160040092 /nfs/dbraw/zinc/04/00/92/160040092.db2.gz KTGHFHIAUGRHML-INIZCTEOSA-N 0 0 319.336 0.870 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408128753 160043484 /nfs/dbraw/zinc/04/34/84/160043484.db2.gz LFUNAIRKIBJOTG-ZDUSSCGKSA-N 0 0 301.346 0.609 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000408133157 160044058 /nfs/dbraw/zinc/04/40/58/160044058.db2.gz NWQQLHYTSBBNSV-CYBMUJFWSA-N 0 0 316.427 0.626 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408136471 160045289 /nfs/dbraw/zinc/04/52/89/160045289.db2.gz FASBLYXMFFNIHJ-ZDUSSCGKSA-N 0 0 305.444 0.226 10 0 DCAERN O=C(c1cccn1C1CCCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408146348 160047564 /nfs/dbraw/zinc/04/75/64/160047564.db2.gz ZBDLVGJWZCVBIZ-CYBMUJFWSA-N 0 0 316.361 0.979 10 0 DCAERN Cc1noc(C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)n1 ZINC000408146390 160047599 /nfs/dbraw/zinc/04/75/99/160047599.db2.gz ZQXCIECIYDXWCL-UHFFFAOYSA-N 0 0 306.366 0.952 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H](C)N1CCOCC1)CC2 ZINC000408158894 160049662 /nfs/dbraw/zinc/04/96/62/160049662.db2.gz PBZABIFASHLKAT-CHWSQXEVSA-N 0 0 310.394 0.509 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1 ZINC000408163179 160050146 /nfs/dbraw/zinc/05/01/46/160050146.db2.gz BUEDFFXZGDGZIL-RKDXNWHRSA-N 0 0 303.318 0.985 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000408163910 160050290 /nfs/dbraw/zinc/05/02/90/160050290.db2.gz FMDHNVFWWJJQBA-LLVKDONJSA-N 0 0 316.423 0.281 10 0 DCAERN COc1cc(C)nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000408163576 160050635 /nfs/dbraw/zinc/05/06/35/160050635.db2.gz FRVQRWUEKHXKDE-CYBMUJFWSA-N 0 0 320.393 0.869 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408166218 160051227 /nfs/dbraw/zinc/05/12/27/160051227.db2.gz XIWUBKVUJRCKFP-NXEZZACHSA-N 0 0 309.395 0.381 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408167812 160051837 /nfs/dbraw/zinc/05/18/37/160051837.db2.gz CJAVWUBFVYSZAE-LLVKDONJSA-N 0 0 303.366 0.427 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408179492 160053689 /nfs/dbraw/zinc/05/36/89/160053689.db2.gz DRXVFWRWBIDFKD-SNVBAGLBSA-N 0 0 314.411 0.307 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000408184999 160055414 /nfs/dbraw/zinc/05/54/14/160055414.db2.gz GAHKKPLQHXNGJM-UHFFFAOYSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CCN1CCOC ZINC000408184447 160055427 /nfs/dbraw/zinc/05/54/27/160055427.db2.gz YFFCZNQNIAZBMT-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(C(C)=O)CC2(C)C)CC(=O)N1 ZINC000408188368 160055905 /nfs/dbraw/zinc/05/59/05/160055905.db2.gz FPZSKVGPOSXPQO-OLZOCXBDSA-N 0 0 309.410 0.761 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](C)O)CC2)o1 ZINC000408189991 160056371 /nfs/dbraw/zinc/05/63/71/160056371.db2.gz RIKMGBIVYSOKCC-VIFPVBQESA-N 0 0 316.379 0.421 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408198089 160057228 /nfs/dbraw/zinc/05/72/28/160057228.db2.gz PIODQYBQCIQGRP-QWRGUYRKSA-N 0 0 316.423 0.327 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 ZINC000408200152 160058288 /nfs/dbraw/zinc/05/82/88/160058288.db2.gz ZYVMTBBEKJPWJU-LLVKDONJSA-N 0 0 314.411 0.980 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC(=O)N1 ZINC000408200963 160058541 /nfs/dbraw/zinc/05/85/41/160058541.db2.gz CKPDIGUFZDWRHW-FRRDWIJNSA-N 0 0 317.393 0.476 10 0 DCAERN Cc1ccc(NC(=O)N2CC(=O)N(C)C2)cc1C(=O)N(C)C ZINC000408205527 160060381 /nfs/dbraw/zinc/06/03/81/160060381.db2.gz KNRXTXNBBQCDSE-UHFFFAOYSA-N 0 0 304.350 0.960 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CSCC(=O)N1CCOCC1 ZINC000408217920 160062566 /nfs/dbraw/zinc/06/25/66/160062566.db2.gz NUQUMGAJLXOFMR-VXGBXAGGSA-N 0 0 316.423 0.214 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219874 160063069 /nfs/dbraw/zinc/06/30/69/160063069.db2.gz RAKVWZKHEBHBKP-HZSPNIEDSA-N 0 0 316.467 0.857 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CC(=O)N(C)C)CC2)C1 ZINC000408235130 160066248 /nfs/dbraw/zinc/06/62/48/160066248.db2.gz IUYHWBGZQJXMHR-CYBMUJFWSA-N 0 0 323.437 0.962 10 0 DCAERN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408235060 160066281 /nfs/dbraw/zinc/06/62/81/160066281.db2.gz HACBTPVJBHJCRI-GRYCIOLGSA-N 0 0 302.400 0.215 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC000408241183 160066976 /nfs/dbraw/zinc/06/69/76/160066976.db2.gz IATYBJJLYUNCHW-CYBMUJFWSA-N 0 0 320.455 0.131 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408246295 160068311 /nfs/dbraw/zinc/06/83/11/160068311.db2.gz IPSHSFLUSVKYAE-MRXNPFEDSA-N 0 0 316.361 0.920 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H](C)N2CCOCC2)CC1(C)C ZINC000408248197 160068973 /nfs/dbraw/zinc/06/89/73/160068973.db2.gz SZIMTWIWBGXFGD-CYBMUJFWSA-N 0 0 311.426 0.565 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](CCO)C1)CC2 ZINC000408249228 160069059 /nfs/dbraw/zinc/06/90/59/160069059.db2.gz QVEVBZOLDVEISQ-NWDGAFQWSA-N 0 0 307.398 0.569 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000408249102 160069457 /nfs/dbraw/zinc/06/94/57/160069457.db2.gz OSGMOEZXSVWSDM-PHIMTYICSA-N 0 0 311.363 0.880 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000408256883 160070553 /nfs/dbraw/zinc/07/05/53/160070553.db2.gz PEWAJELTSDKCTE-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000408261682 160071425 /nfs/dbraw/zinc/07/14/25/160071425.db2.gz SLUXRTBUWFTMET-OAHLLOKOSA-N 0 0 307.419 0.907 10 0 DCAERN CC(C)N(C[C@@H](C)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408263871 160072213 /nfs/dbraw/zinc/07/22/13/160072213.db2.gz ZLCOUBYSKUXDCP-LLVKDONJSA-N 0 0 321.443 0.211 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1C ZINC000408272533 160073308 /nfs/dbraw/zinc/07/33/08/160073308.db2.gz FKYFZHJHPFTWPC-RYUDHWBXSA-N 0 0 308.382 0.193 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408275033 160074347 /nfs/dbraw/zinc/07/43/47/160074347.db2.gz SCMVDNJLKUMYLU-OLZOCXBDSA-N 0 0 311.426 0.456 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408286744 160076616 /nfs/dbraw/zinc/07/66/16/160076616.db2.gz NZNGNYNPNOHNQH-LOWVWBTDSA-N 0 0 303.428 0.420 10 0 DCAERN Cc1ccnc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000408288125 160076631 /nfs/dbraw/zinc/07/66/31/160076631.db2.gz VRHSHDUZVBFKSU-UHFFFAOYSA-N 0 0 324.406 0.471 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1C(=O)CCc2ccccc21 ZINC000408290922 160077598 /nfs/dbraw/zinc/07/75/98/160077598.db2.gz LZIBSSAXXOBZHN-GFCCVEGCSA-N 0 0 315.373 0.703 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000408290025 160077600 /nfs/dbraw/zinc/07/76/00/160077600.db2.gz HFRCFZVNFLYUQI-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN CC(C)[C@](C)(O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408296927 160079216 /nfs/dbraw/zinc/07/92/16/160079216.db2.gz GVGYTMSEZOHJJS-CJNGLKHVSA-N 0 0 312.410 0.491 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000408297042 160079411 /nfs/dbraw/zinc/07/94/11/160079411.db2.gz HTLUHIJTCAMWEC-QJPTWQEYSA-N 0 0 306.366 0.723 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](COC)C1 ZINC000408303391 160081049 /nfs/dbraw/zinc/08/10/49/160081049.db2.gz OWYZPYOIHNLWSG-GRYCIOLGSA-N 0 0 316.423 0.560 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000408309750 160082404 /nfs/dbraw/zinc/08/24/04/160082404.db2.gz YWDOPSPSVFBPQL-JQWIXIFHSA-N 0 0 319.427 0.135 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@]2(CCOC2)O1 ZINC000408326941 160085230 /nfs/dbraw/zinc/08/52/30/160085230.db2.gz QZRQVBDZFLHZBM-ABAIWWIYSA-N 0 0 308.334 0.416 10 0 DCAERN CCN(C1CCN(c2cncc3nncn32)CC1)S(C)(=O)=O ZINC000408327438 160086220 /nfs/dbraw/zinc/08/62/20/160086220.db2.gz DCTRIBWEAFPMSY-UHFFFAOYSA-N 0 0 324.410 0.375 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408331440 160086655 /nfs/dbraw/zinc/08/66/55/160086655.db2.gz XBTWROMKBGGSPB-YPMHNXCESA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408333201 160086951 /nfs/dbraw/zinc/08/69/51/160086951.db2.gz AYUPVLSTVWRUMR-CYDGBPFRSA-N 0 0 318.439 0.778 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408333202 160086966 /nfs/dbraw/zinc/08/69/66/160086966.db2.gz AYUPVLSTVWRUMR-RVMXOQNASA-N 0 0 318.439 0.778 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408333203 160087015 /nfs/dbraw/zinc/08/70/15/160087015.db2.gz AYUPVLSTVWRUMR-WUHRBBMRSA-N 0 0 318.439 0.778 10 0 DCAERN CC1=C(C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000408342482 160088390 /nfs/dbraw/zinc/08/83/90/160088390.db2.gz XMIWCWUUCQMJSR-UHFFFAOYSA-N 0 0 307.437 0.936 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000408348311 160089874 /nfs/dbraw/zinc/08/98/74/160089874.db2.gz FXGQUAZEFCEYAI-VXGBXAGGSA-N 0 0 310.398 0.165 10 0 DCAERN CCN(CC(C)(C)O)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408350812 160090193 /nfs/dbraw/zinc/09/01/93/160090193.db2.gz WVXLRAAPXWDTPA-NSHDSACASA-N 0 0 303.424 0.821 10 0 DCAERN C[C@H]1CN(Cc2ncnn2CC(F)F)CCN1S(C)(=O)=O ZINC000408359245 160091492 /nfs/dbraw/zinc/09/14/92/160091492.db2.gz LEGDIQSLAJRVNY-VIFPVBQESA-N 0 0 323.369 0.009 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408379056 160095199 /nfs/dbraw/zinc/09/51/99/160095199.db2.gz IOHLKPGETQUQFK-ZDUSSCGKSA-N 0 0 305.444 0.152 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000408378040 160095303 /nfs/dbraw/zinc/09/53/03/160095303.db2.gz BHWBODJRNZDWIC-SIILZVROSA-N 0 0 315.439 0.644 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408387163 160097345 /nfs/dbraw/zinc/09/73/45/160097345.db2.gz QRHKTCUJZXUWAC-SECBINFHSA-N 0 0 306.819 0.836 10 0 DCAERN CCn1nc(C(C)C)cc1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000408386459 160097340 /nfs/dbraw/zinc/09/73/40/160097340.db2.gz SZCSZTVNNMGWEF-NSHDSACASA-N 0 0 305.382 0.876 10 0 DCAERN CN(C)c1nc2ccc(NC(=O)N3C[C@H](O)[C@@H](O)C3)cc2o1 ZINC000408392333 160099199 /nfs/dbraw/zinc/09/91/99/160099199.db2.gz BIKBVWRKXNBYTP-QWRGUYRKSA-N 0 0 306.322 0.463 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)O1 ZINC000408393791 160099221 /nfs/dbraw/zinc/09/92/21/160099221.db2.gz GYHLBZOBXIPPTA-JHJVBQTASA-N 0 0 318.439 0.873 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)C1 ZINC000408406191 160102231 /nfs/dbraw/zinc/10/22/31/160102231.db2.gz LYFQQAKRDYLWKK-BBATYDOGSA-N 0 0 308.469 0.854 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(C)C)CC(=O)N1 ZINC000408413126 160103339 /nfs/dbraw/zinc/10/33/39/160103339.db2.gz CFORINORAFKKCJ-UPJWGTAASA-N 0 0 309.410 0.664 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC2([S@@](C)=O)CCC2)C1 ZINC000408414655 160103661 /nfs/dbraw/zinc/10/36/61/160103661.db2.gz HESPKVWHFZHPNN-XUSGNXJCSA-N 0 0 315.439 0.598 10 0 DCAERN CN1C[C@@H](NC(=O)NCC2([S@](C)=O)CCC2)CCC1=O ZINC000408418013 160104161 /nfs/dbraw/zinc/10/41/61/160104161.db2.gz YJVBAMBCQNZLNE-FVINQWEUSA-N 0 0 301.412 0.208 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](C)[C@@H]3CO)nc2n1 ZINC000408424146 160104764 /nfs/dbraw/zinc/10/47/64/160104764.db2.gz BTYJNOQDFRGTAT-SKDRFNHKSA-N 0 0 303.366 0.513 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000408429085 160106137 /nfs/dbraw/zinc/10/61/37/160106137.db2.gz WRLFICNERATSLB-YNEHKIRRSA-N 0 0 324.425 0.601 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)cn1 ZINC000408449256 160110496 /nfs/dbraw/zinc/11/04/96/160110496.db2.gz FNFOLWIUAKHZQE-AWEZNQCLSA-N 0 0 322.390 0.886 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N(C(C)C)C2CCC2)N(S(C)(=O)=O)C1 ZINC000408455712 160112099 /nfs/dbraw/zinc/11/20/99/160112099.db2.gz ZNENLZWOZNOASQ-QWHCGFSZSA-N 0 0 318.439 0.825 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408459598 160113029 /nfs/dbraw/zinc/11/30/29/160113029.db2.gz JDNOMHZGQKZXCG-STQMWFEESA-N 0 0 307.412 0.480 10 0 DCAERN Cc1nnc([C@H](C)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)[nH]1 ZINC000408470110 160115378 /nfs/dbraw/zinc/11/53/78/160115378.db2.gz VDXZZBLWVAOWJO-LSJOCFKGSA-N 0 0 301.416 0.624 10 0 DCAERN CC(C)COC1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000054328649 286896953 /nfs/dbraw/zinc/89/69/53/286896953.db2.gz QYWUAZSXJVCTLX-ZDUSSCGKSA-N 0 0 313.442 0.716 10 0 DCAERN CSc1ccc(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1 ZINC000073050520 286912551 /nfs/dbraw/zinc/91/25/51/286912551.db2.gz YDAAODYKNYBALU-UHFFFAOYSA-N 0 0 306.347 0.297 10 0 DCAERN CCc1cnc(CCNC(=O)[C@H](C)NS(C)(=O)=O)s1 ZINC000075181738 286917791 /nfs/dbraw/zinc/91/77/91/286917791.db2.gz NNPBLGPXNYCHCI-QMMMGPOBSA-N 0 0 305.425 0.302 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000120996260 286953590 /nfs/dbraw/zinc/95/35/90/286953590.db2.gz WLZBPRCHCOWIOU-GFCCVEGCSA-N 0 0 306.366 0.869 10 0 DCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121119506 286954066 /nfs/dbraw/zinc/95/40/66/286954066.db2.gz PWGYODPUAINYID-GFCCVEGCSA-N 0 0 322.409 0.931 10 0 DCAERN CC(C)C[C@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000124136012 286962401 /nfs/dbraw/zinc/96/24/01/286962401.db2.gz DKTLOWIUZIRKGV-MJBXVCDLSA-N 0 0 322.471 0.975 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000126498784 286972045 /nfs/dbraw/zinc/97/20/45/286972045.db2.gz LSHDVMTZDLBPQG-UHFFFAOYSA-N 0 0 301.412 0.774 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCC(C)(C)O ZINC000126639863 286973174 /nfs/dbraw/zinc/97/31/74/286973174.db2.gz NKWQLNMYHFYTNY-LLVKDONJSA-N 0 0 318.377 0.855 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000131490785 287000746 /nfs/dbraw/zinc/00/07/46/287000746.db2.gz XDANQRVQOHIBFD-CQSZACIVSA-N 0 0 305.378 0.314 10 0 DCAERN Cc1ccc2ncc(C(=O)Nc3ccc(C(N)=O)nc3)c(=O)n2c1 ZINC000133384648 287010550 /nfs/dbraw/zinc/01/05/50/287010550.db2.gz GQQANKBXQDNLDG-UHFFFAOYSA-N 0 0 323.312 0.749 10 0 DCAERN Cc1nnc([C@H](C)N2CC[C@H](S(=O)(=O)NC(C)C)C2)o1 ZINC000134317737 287015824 /nfs/dbraw/zinc/01/58/24/287015824.db2.gz JNIXXXUUIDSNEK-ONGXEEELSA-N 0 0 302.400 0.841 10 0 DCAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc2ncccc21 ZINC000134353013 287015853 /nfs/dbraw/zinc/01/58/53/287015853.db2.gz BQNFRHZMNJLHHW-SNVBAGLBSA-N 0 0 305.359 0.744 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000135566399 287023308 /nfs/dbraw/zinc/02/33/08/287023308.db2.gz MWAGMAOVAOHCQU-QJPTWQEYSA-N 0 0 304.412 0.471 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000151474919 287034030 /nfs/dbraw/zinc/03/40/30/287034030.db2.gz NCZVHVVIOJDYCO-UHFFFAOYSA-N 0 0 323.397 0.605 10 0 DCAERN CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000173117902 287052852 /nfs/dbraw/zinc/05/28/52/287052852.db2.gz QLEJBNLXHBKKDY-UPJWGTAASA-N 0 0 316.357 0.908 10 0 DCAERN Cn1nc(C(=O)NCCCn2ccnn2)cc1OC(F)F ZINC000186040952 287057588 /nfs/dbraw/zinc/05/75/88/287057588.db2.gz LLKVAFCSWYXHFA-UHFFFAOYSA-N 0 0 300.269 0.433 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cn[nH]c1 ZINC000229960102 287063731 /nfs/dbraw/zinc/06/37/31/287063731.db2.gz NHYYFBZNRRYTGQ-ZJUUUORDSA-N 0 0 300.384 0.259 10 0 DCAERN COC(=O)CCN1CCN(C[C@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000245904930 287074213 /nfs/dbraw/zinc/07/42/13/287074213.db2.gz SXJNTPRWWJMPAZ-QWHCGFSZSA-N 0 0 320.455 0.236 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000246131746 287077323 /nfs/dbraw/zinc/07/73/23/287077323.db2.gz FGYHOLUZPBYUDR-FRRDWIJNSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246424109 287083453 /nfs/dbraw/zinc/08/34/53/287083453.db2.gz CTLSEOQHXDKTFX-HBNTYKKESA-N 0 0 323.422 0.565 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246506989 287084506 /nfs/dbraw/zinc/08/45/06/287084506.db2.gz SXUODJLWHNETCA-HUUCEWRRSA-N 0 0 316.361 0.893 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCOC2)ncn1 ZINC000246515246 287084816 /nfs/dbraw/zinc/08/48/16/287084816.db2.gz IOCLEDOJNZQUDH-NWDGAFQWSA-N 0 0 320.397 0.575 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(C)(C)C)C[C@H](C)O1 ZINC000246329325 287081613 /nfs/dbraw/zinc/08/16/13/287081613.db2.gz ZTPRPQFUWHRFQZ-GRYCIOLGSA-N 0 0 308.444 0.727 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000246724890 287087232 /nfs/dbraw/zinc/08/72/32/287087232.db2.gz XWRCDCFTHOMEIR-FRRDWIJNSA-N 0 0 318.439 0.826 10 0 DCAERN C[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)[C@H](C)N1CCOCC1 ZINC000247347692 287093092 /nfs/dbraw/zinc/09/30/92/287093092.db2.gz KZVQFFSYDOPLFS-RDBSUJKOSA-N 0 0 313.442 0.898 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000248972119 287104332 /nfs/dbraw/zinc/10/43/32/287104332.db2.gz SYLHGBFFLXYCFM-RWMBFGLXSA-N 0 0 306.428 0.146 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000248763924 287101115 /nfs/dbraw/zinc/10/11/15/287101115.db2.gz KGWXTKJSUYJUSY-KGLIPLIRSA-N 0 0 312.410 0.756 10 0 DCAERN CCC1(CC)CN([C@H](C)C(=O)NC(=O)NC)CC[S@]1=O ZINC000249019101 287105416 /nfs/dbraw/zinc/10/54/16/287105416.db2.gz QFZGXQGIKRJGSZ-CFMSYZGJSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249562788 287114295 /nfs/dbraw/zinc/11/42/95/287114295.db2.gz MCUYVULIVMETBA-HZSPNIEDSA-N 0 0 309.410 0.319 10 0 DCAERN CCN(C(=O)N[C@H](C)[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000249514947 287112689 /nfs/dbraw/zinc/11/26/89/287112689.db2.gz BNLXKTFSIOZZPO-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN C[N@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCCO1 ZINC000249726316 287117785 /nfs/dbraw/zinc/11/77/85/287117785.db2.gz QDTOUVIYRVBCDX-CHWSQXEVSA-N 0 0 318.373 0.754 10 0 DCAERN CO[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CC[C@H]1C ZINC000252013804 287120192 /nfs/dbraw/zinc/12/01/92/287120192.db2.gz XYHUTFYZKJSOKH-DGCLKSJQSA-N 0 0 316.427 0.055 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)NCC[C@@H]1C)C(C)C ZINC000249606539 287116114 /nfs/dbraw/zinc/11/61/14/287116114.db2.gz RIEGXJRQDGUXNS-UBHSHLNASA-N 0 0 311.426 0.814 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](CC)OC ZINC000358125361 287206113 /nfs/dbraw/zinc/20/61/13/287206113.db2.gz ORFPXPMNQBYUES-OUAUKWLOSA-N 0 0 317.386 0.167 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)OC)C[C@]2(CCOC2)O1 ZINC000369612331 287203571 /nfs/dbraw/zinc/20/35/71/287203571.db2.gz HLBPINPWWDEVSY-UPJWGTAASA-N 0 0 307.412 0.621 10 0 DCAERN C[C@](O)(CNC(=O)NCCN1CCOCC1)C1CCCCC1 ZINC000358314215 287207216 /nfs/dbraw/zinc/20/72/16/287207216.db2.gz VEOMDGRFOPREIV-INIZCTEOSA-N 0 0 313.442 0.949 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)c2cn3cccnc3n2)cc1C ZINC000535770855 412321760 /nfs/dbraw/zinc/32/17/60/412321760.db2.gz FSJCHJKSPJFJEW-UHFFFAOYSA-N 0 0 313.321 0.233 10 0 DCAERN c1nnc2c(N[C@@H]3CCN(c4ccc5nncn5n4)C3)nccn12 ZINC000624533031 412436586 /nfs/dbraw/zinc/43/65/86/412436586.db2.gz ICUNJWIRIBHPEB-SNVBAGLBSA-N 0 0 322.336 0.253 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000328760981 287277964 /nfs/dbraw/zinc/27/79/64/287277964.db2.gz XPQSDTKKKUTMFI-FRRDWIJNSA-N 0 0 315.439 0.849 10 0 DCAERN O=C(NC1COCCOC1)c1ccnc(Br)c1 ZINC000383811575 685243122 /nfs/dbraw/zinc/24/31/22/685243122.db2.gz GDIOLAHEWMSBOP-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 ZINC000007023934 415136433 /nfs/dbraw/zinc/13/64/33/415136433.db2.gz XGCFXHNBGHHQRL-LBPRGKRZSA-N 0 0 303.318 0.510 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2cncn2)cc1 ZINC000025692375 415165863 /nfs/dbraw/zinc/16/58/63/415165863.db2.gz XTFWWQRFBAKQDV-NSHDSACASA-N 0 0 324.344 0.852 10 0 DCAERN CCN1C[C@H](C(=O)[O-])C(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000028643018 415176571 /nfs/dbraw/zinc/17/65/71/415176571.db2.gz NFGPPHBSSDCMOL-NSHDSACASA-N 0 0 321.352 0.959 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000331689833 415189186 /nfs/dbraw/zinc/18/91/86/415189186.db2.gz WQJAHOCHRQETJR-MWLCHTKSSA-N 0 0 319.390 0.828 10 0 DCAERN CNC(=O)c1ccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)nn1 ZINC000268420749 415210507 /nfs/dbraw/zinc/21/05/07/415210507.db2.gz XDNGMPPYAYTULB-OAHLLOKOSA-N 0 0 316.365 0.322 10 0 DCAERN CN(C)C(=O)CNC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000048041337 415283645 /nfs/dbraw/zinc/28/36/45/415283645.db2.gz OEWAMDCIRFFXJT-UHFFFAOYSA-N 0 0 301.350 0.760 10 0 DCAERN COc1cc(=O)n(C)c2c(OC[C@@H](O)[C@](C)(O)OC)cccc12 ZINC000044559696 415220975 /nfs/dbraw/zinc/22/09/75/415220975.db2.gz COMTYGQAMQKQCJ-CZUORRHYSA-N 0 0 323.345 0.642 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)CCn1c2ccccc2oc1=O ZINC000044646986 415226920 /nfs/dbraw/zinc/22/69/20/415226920.db2.gz NXPXYGZSTRYPSZ-NSHDSACASA-N 0 0 303.318 0.461 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000057018058 415338767 /nfs/dbraw/zinc/33/87/67/415338767.db2.gz QGRKSZCSBULCFR-NSHDSACASA-N 0 0 312.414 0.553 10 0 DCAERN CC(C)(NC(=O)CCCNC(=O)c1ccc(F)cc1)C(N)=O ZINC000057051446 415339356 /nfs/dbraw/zinc/33/93/56/415339356.db2.gz PYZDFGRSPUGNQA-UHFFFAOYSA-N 0 0 309.341 0.716 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2C)C1 ZINC000072616817 415416040 /nfs/dbraw/zinc/41/60/40/415416040.db2.gz UASFVKWHGHFIDF-LBPRGKRZSA-N 0 0 304.350 0.456 10 0 DCAERN O=C(Nc1ccncc1)N1CCN(c2cncc3ncnn32)CC1 ZINC000276077240 415426431 /nfs/dbraw/zinc/42/64/31/415426431.db2.gz VBNJGCPOJQHIPI-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000066919044 415368537 /nfs/dbraw/zinc/36/85/37/415368537.db2.gz HOWILNAFMJVSTG-NEPJUHHUSA-N 0 0 304.412 0.991 10 0 DCAERN C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)n1cncn1 ZINC000067200654 415375042 /nfs/dbraw/zinc/37/50/42/415375042.db2.gz BLCMCAJKHXGITE-TZMCWYRMSA-N 0 0 315.377 0.655 10 0 DCAERN COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067199643 415376312 /nfs/dbraw/zinc/37/63/12/415376312.db2.gz YRASXBCFRGUNOF-ZDUSSCGKSA-N 0 0 306.362 0.755 10 0 DCAERN CCc1cnc(CCNC(=O)[C@@H](C)NS(C)(=O)=O)s1 ZINC000075181737 415440141 /nfs/dbraw/zinc/44/01/41/415440141.db2.gz NNPBLGPXNYCHCI-MRVPVSSYSA-N 0 0 305.425 0.302 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332753505 415462236 /nfs/dbraw/zinc/46/22/36/415462236.db2.gz IHCOHZTZRFEOHH-XJFOESAGSA-N 0 0 324.425 0.016 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCCNC1=O ZINC000077280562 415463254 /nfs/dbraw/zinc/46/32/54/415463254.db2.gz XNQYPRMIJAASFC-LLVKDONJSA-N 0 0 302.334 0.115 10 0 DCAERN COCC1(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CCC1 ZINC000332761843 415464647 /nfs/dbraw/zinc/46/46/47/415464647.db2.gz UNORXHIBUAJVOE-UONOGXRCSA-N 0 0 311.426 0.918 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332755920 415465636 /nfs/dbraw/zinc/46/56/36/415465636.db2.gz KUIJYSCUTGIQNB-OWCLPIDISA-N 0 0 323.437 0.613 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCC3([S@@](C)=O)CC3)C[C@@H]21 ZINC000332761546 415465715 /nfs/dbraw/zinc/46/57/15/415465715.db2.gz STTZADZCQGZGFI-QLMNROTDSA-N 0 0 315.439 0.012 10 0 DCAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000332788165 415478949 /nfs/dbraw/zinc/47/89/49/415478949.db2.gz IUZFBJAKIGZIFR-DGAVXFQQSA-N 0 0 323.441 0.523 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@H]21 ZINC000332786872 415479001 /nfs/dbraw/zinc/47/90/01/415479001.db2.gz VDOFHIJHXBJHBS-GBJTYRQASA-N 0 0 311.426 0.652 10 0 DCAERN O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332937366 415507510 /nfs/dbraw/zinc/50/75/10/415507510.db2.gz NTMMQDVSMMUOGZ-BPLDGKMQSA-N 0 0 302.378 0.987 10 0 DCAERN CC(C)[C@H](C)CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088685207 415519155 /nfs/dbraw/zinc/51/91/55/415519155.db2.gz UWCZFVBBXJXMIC-SNVBAGLBSA-N 0 0 302.400 0.107 10 0 DCAERN CCOc1nc(N)nc2n[nH]c(I)c21 ZINC000089222889 415519659 /nfs/dbraw/zinc/51/96/59/415519659.db2.gz MDAHQHJFWXEEFU-UHFFFAOYSA-N 0 0 305.079 0.938 10 0 DCAERN COc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1Cl ZINC000089838854 415522746 /nfs/dbraw/zinc/52/27/46/415522746.db2.gz GBXOVKPYVWTQMV-UHFFFAOYSA-N 0 0 323.736 0.998 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2c(C)noc2CC)C1 ZINC000091414309 415534919 /nfs/dbraw/zinc/53/49/19/415534919.db2.gz YMOZQLHQWDLCDN-UHFFFAOYSA-N 0 0 308.338 0.078 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC(O)C2)o1 ZINC000091524289 415535936 /nfs/dbraw/zinc/53/59/36/415535936.db2.gz CNWDDYLZRHLNNI-UHFFFAOYSA-N 0 0 302.352 0.031 10 0 DCAERN O=C([O-])[C@@H]1CN(Cc2ccnc(Br)c2)CC[NH2+]1 ZINC000095078086 415549660 /nfs/dbraw/zinc/54/96/60/415549660.db2.gz XWDKKQLUUHCBNG-VIFPVBQESA-N 0 0 300.156 0.703 10 0 DCAERN CC1(C)C[C@@H]1c1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 ZINC000333168033 415576119 /nfs/dbraw/zinc/57/61/19/415576119.db2.gz JQOXWKAOTLBAHG-SECBINFHSA-N 0 0 313.379 0.383 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc2n[nH]nc2n1 ZINC000333100833 415555781 /nfs/dbraw/zinc/55/57/81/415555781.db2.gz CHENAHHOHSARMA-LDYMZIIASA-N 0 0 323.378 0.439 10 0 DCAERN COCCN1CC[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333094761 415556753 /nfs/dbraw/zinc/55/67/53/415556753.db2.gz BOVNCDPMHMLYFA-RFGFWPKPSA-N 0 0 302.440 0.815 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCC(=O)N[C@@H]2C)no1 ZINC000333095278 415557904 /nfs/dbraw/zinc/55/79/04/415557904.db2.gz OYVGRZFOXJBKPR-MIMYLULJSA-N 0 0 307.354 0.892 10 0 DCAERN CN(CC(=O)NC1(C(=O)N2CCN(C)CC2)CCCC1)C1CC1 ZINC000095963031 415567308 /nfs/dbraw/zinc/56/73/08/415567308.db2.gz HPSQNQQXXPZOQZ-UHFFFAOYSA-N 0 0 322.453 0.284 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)no1 ZINC000103044100 415605009 /nfs/dbraw/zinc/60/50/09/415605009.db2.gz OLEJYOHIHZPLSX-NEPJUHHUSA-N 0 0 306.366 0.637 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000104359297 415623546 /nfs/dbraw/zinc/62/35/46/415623546.db2.gz PWJWPSCBGAWKDX-CHWSQXEVSA-N 0 0 307.394 0.372 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C(N)=O)CC1 ZINC000104379229 415623915 /nfs/dbraw/zinc/62/39/15/415623915.db2.gz QCWFSMOHSPTZGH-GFCCVEGCSA-N 0 0 310.398 0.391 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000104745773 415625219 /nfs/dbraw/zinc/62/52/19/415625219.db2.gz XLNQIFODDMTAQR-DTORHVGOSA-N 0 0 305.425 0.895 10 0 DCAERN O=C(CNC(=O)N1CCNC(=O)CC1)Nc1ccc(Cl)cc1 ZINC000105177474 415630770 /nfs/dbraw/zinc/63/07/70/415630770.db2.gz BGUNQBGWQBQIRM-UHFFFAOYSA-N 0 0 324.768 0.810 10 0 DCAERN CC(=O)Nc1ccc(CCNC(=O)N2CCNC(=O)CC2)cc1 ZINC000105247180 415632209 /nfs/dbraw/zinc/63/22/09/415632209.db2.gz UKTCIYARYRYBKG-UHFFFAOYSA-N 0 0 318.377 0.719 10 0 DCAERN CN1CCN(C)[C@H](CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333192569 415580616 /nfs/dbraw/zinc/58/06/16/415580616.db2.gz SLZSCTXFXRUQCL-XJFOESAGSA-N 0 0 301.456 0.340 10 0 DCAERN C[C@@H]1CN(c2cc(C(F)(F)F)nc3ncnn32)CC(=O)N1C ZINC000283431497 415590678 /nfs/dbraw/zinc/59/06/78/415590678.db2.gz HISASKVUMOWCDF-SSDOTTSWSA-N 0 0 314.271 0.810 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000333273380 415597828 /nfs/dbraw/zinc/59/78/28/415597828.db2.gz NZTVBALKXNXGIT-NEPJUHHUSA-N 0 0 308.386 0.051 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](CC)O1 ZINC000333480515 415662668 /nfs/dbraw/zinc/66/26/68/415662668.db2.gz FNFXLMNFAYXTIV-XDQVBPFNSA-N 0 0 323.397 0.817 10 0 DCAERN O=C(CN1CCN(C(=O)C2CC2)C1)NC(=O)NC1CCCCC1 ZINC000333491237 415663454 /nfs/dbraw/zinc/66/34/54/415663454.db2.gz GTAVGWVVHLGRKM-UHFFFAOYSA-N 0 0 322.409 0.657 10 0 DCAERN CCn1cncc1S(=O)(=O)NCCc1cn2c(n1)CCCC2 ZINC000333531268 415674818 /nfs/dbraw/zinc/67/48/18/415674818.db2.gz YASBBCLNEBYGEX-UHFFFAOYSA-N 0 0 323.422 0.957 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000333559836 415685106 /nfs/dbraw/zinc/68/51/06/415685106.db2.gz KSVYXCFEVGQMAN-NWDGAFQWSA-N 0 0 323.422 0.753 10 0 DCAERN Cc1ccc(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000111356379 415693858 /nfs/dbraw/zinc/69/38/58/415693858.db2.gz QSXKBAFKPHDWBA-STQMWFEESA-N 0 0 313.423 0.876 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1cc2n(n1)CCCC2 ZINC000333612537 415694488 /nfs/dbraw/zinc/69/44/88/415694488.db2.gz SFQZXSJOFUEQBA-QWHCGFSZSA-N 0 0 302.338 0.181 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cc(C)nc(-c3ccncc3)n2)C1 ZINC000343729855 415703614 /nfs/dbraw/zinc/70/36/14/415703614.db2.gz YQEKQOVGNILLTB-STQMWFEESA-N 0 0 313.361 0.926 10 0 DCAERN C[C@H](NC(=O)NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000112111342 415703710 /nfs/dbraw/zinc/70/37/10/415703710.db2.gz SSIBGHQTXDIZQM-GXTWGEPZSA-N 0 0 320.393 0.643 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC(C)(C)O1 ZINC000343757390 415712512 /nfs/dbraw/zinc/71/25/12/415712512.db2.gz OSQMGMZKMVXXAG-NSHDSACASA-N 0 0 309.366 0.390 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCNC[C@@H]1c1ccncc1 ZINC000333842606 415749019 /nfs/dbraw/zinc/74/90/19/415749019.db2.gz LNXJDXNNOIOCGX-ZIAGYGMSSA-N 0 0 311.407 0.537 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H](CO)Cc1ccccc1 ZINC000120407136 415767384 /nfs/dbraw/zinc/76/73/84/415767384.db2.gz UNHHLBXVQPHMGA-HNNXBMFYSA-N 0 0 313.357 0.531 10 0 DCAERN Cc1nc2cc(NC(=O)NCCNS(C)(=O)=O)ccc2o1 ZINC000122994229 415838458 /nfs/dbraw/zinc/83/84/58/415838458.db2.gz PXFVZANOVHQZPS-UHFFFAOYSA-N 0 0 312.351 0.807 10 0 DCAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121194726 415796903 /nfs/dbraw/zinc/79/69/03/415796903.db2.gz IZVVCSTZPFZPCF-GFCCVEGCSA-N 0 0 320.393 1.000 10 0 DCAERN COCCOc1cccc(CC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000121392699 415804962 /nfs/dbraw/zinc/80/49/62/415804962.db2.gz SDRLBVFSNGMASS-MRXNPFEDSA-N 0 0 322.405 0.701 10 0 DCAERN Cn1ncc(Br)c1CNC[C@@H]1CN(C)CCO1 ZINC000336697457 415815128 /nfs/dbraw/zinc/81/51/28/415815128.db2.gz IYSMVQJCJCLULN-SECBINFHSA-N 0 0 303.204 0.603 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)CCS1(=O)=O ZINC000121965429 415823984 /nfs/dbraw/zinc/82/39/84/415823984.db2.gz CRGDHHCUUBMHFJ-SNVBAGLBSA-N 0 0 305.359 0.889 10 0 DCAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N1CC(CO)C1 ZINC000122204356 415826992 /nfs/dbraw/zinc/82/69/92/415826992.db2.gz NKDBILKQISFORA-UHFFFAOYSA-N 0 0 302.334 0.134 10 0 DCAERN Cc1ncsc1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000125776337 415869105 /nfs/dbraw/zinc/86/91/05/415869105.db2.gz IQDNRYWYZNBIBC-MRVPVSSYSA-N 0 0 303.409 0.780 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(c3ccccn3)CC2)CCC1=O ZINC000128673644 415901557 /nfs/dbraw/zinc/90/15/57/415901557.db2.gz ILBLBNAWJOAFCF-CYBMUJFWSA-N 0 0 317.393 0.534 10 0 DCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000129878239 415912912 /nfs/dbraw/zinc/91/29/12/415912912.db2.gz ARGGAKVDMVNYME-QWHCGFSZSA-N 0 0 312.414 0.016 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000131065714 415927042 /nfs/dbraw/zinc/92/70/42/415927042.db2.gz MJLDCMBXYBVZDN-NWDGAFQWSA-N 0 0 300.403 0.003 10 0 DCAERN O=C(C1CCN(CC(F)(F)F)CC1)N1CCNC(=O)CC1 ZINC000124619260 415853283 /nfs/dbraw/zinc/85/32/83/415853283.db2.gz IXGHPKJDDQJLIT-UHFFFAOYSA-N 0 0 307.316 0.609 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000133372448 415943348 /nfs/dbraw/zinc/94/33/48/415943348.db2.gz HXDZJPOOVTUDCI-OLZOCXBDSA-N 0 0 309.410 0.905 10 0 DCAERN CCc1cccc(C)c1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133748974 415950743 /nfs/dbraw/zinc/95/07/43/415950743.db2.gz MENMKZLNGBSWDB-UHFFFAOYSA-N 0 0 303.362 0.844 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000134024607 415954062 /nfs/dbraw/zinc/95/40/62/415954062.db2.gz CHQRUBOWCJOODW-CYBMUJFWSA-N 0 0 316.361 0.750 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCOC3(CCOCC3)C2)C1 ZINC000134694105 415958336 /nfs/dbraw/zinc/95/83/36/415958336.db2.gz DYTDOCONRWFGMI-ZDUSSCGKSA-N 0 0 318.439 0.845 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000150854553 415963112 /nfs/dbraw/zinc/96/31/12/415963112.db2.gz BKFYTDVFJDYDLX-GXTWGEPZSA-N 0 0 307.350 0.983 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2CO)CC1 ZINC000151086788 415963777 /nfs/dbraw/zinc/96/37/77/415963777.db2.gz XOYNVXQEXWRFKV-QWHCGFSZSA-N 0 0 318.439 0.325 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(N2CCCC2)nc1 ZINC000153254977 415978995 /nfs/dbraw/zinc/97/89/95/415978995.db2.gz NHNFJXIGGLJEIG-LLVKDONJSA-N 0 0 302.334 0.217 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000155117962 415993016 /nfs/dbraw/zinc/99/30/16/415993016.db2.gz XIUIVLNSPNZATK-RISCZKNCSA-N 0 0 308.378 0.948 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000155195715 415993963 /nfs/dbraw/zinc/99/39/63/415993963.db2.gz SJYUJLFOLNLVCC-KBPBESRZSA-N 0 0 317.389 0.885 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000133017843 415937601 /nfs/dbraw/zinc/93/76/01/415937601.db2.gz BRYLDUPQNFGQQS-UTUOFQBUSA-N 0 0 306.428 0.745 10 0 DCAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CNC(=O)C1 ZINC000171815573 416042571 /nfs/dbraw/zinc/04/25/71/416042571.db2.gz HMSAHANBDLHWHO-UONOGXRCSA-N 0 0 318.373 0.755 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000357209785 416045699 /nfs/dbraw/zinc/04/56/99/416045699.db2.gz YPGZUOGZBJEWIU-YPMHNXCESA-N 0 0 304.412 0.438 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC000172959026 416049370 /nfs/dbraw/zinc/04/93/70/416049370.db2.gz SVJGFBPTZYVKTQ-NSHDSACASA-N 0 0 317.349 0.099 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnn2C)ncn1 ZINC000173422273 416058789 /nfs/dbraw/zinc/05/87/89/416058789.db2.gz XLWSKAKHETVCSU-LLVKDONJSA-N 0 0 315.381 0.651 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)no1 ZINC000173547655 416060682 /nfs/dbraw/zinc/06/06/82/416060682.db2.gz FXOOUBRFQBMSQQ-NSHDSACASA-N 0 0 319.369 0.580 10 0 DCAERN CCN(C)S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000173506687 416060860 /nfs/dbraw/zinc/06/08/60/416060860.db2.gz HDVLBQQKGUQIAF-JTQLQIEISA-N 0 0 317.415 0.253 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173516148 416060883 /nfs/dbraw/zinc/06/08/83/416060883.db2.gz BZXPJWVCDRJUSZ-SNVBAGLBSA-N 0 0 309.370 0.175 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)[nH]1 ZINC000173549814 416060961 /nfs/dbraw/zinc/06/09/61/416060961.db2.gz UCNZVDFASMRRLA-LBPRGKRZSA-N 0 0 312.333 0.975 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CCO2)[nH]1 ZINC000173680901 416063216 /nfs/dbraw/zinc/06/32/16/416063216.db2.gz IGOHUYKUTXDFQC-MBNYWOFBSA-N 0 0 321.425 0.991 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000299746238 416064008 /nfs/dbraw/zinc/06/40/08/416064008.db2.gz VZHHCPUKTMSLRG-SKDRFNHKSA-N 0 0 321.287 0.444 10 0 DCAERN CCCNC(=O)CCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173845156 416065956 /nfs/dbraw/zinc/06/59/56/416065956.db2.gz COHPROUTMNNVOB-KBPBESRZSA-N 0 0 311.426 0.472 10 0 DCAERN CCc1nnsc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173840262 416066028 /nfs/dbraw/zinc/06/60/28/416066028.db2.gz YSLQLNGCKGYGGI-CMPLNLGQSA-N 0 0 310.423 0.893 10 0 DCAERN Cc1cnn(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173855932 416068476 /nfs/dbraw/zinc/06/84/76/416068476.db2.gz OTQPEBNDNZZNPB-CABCVRRESA-N 0 0 306.410 0.761 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976186 416069499 /nfs/dbraw/zinc/06/94/99/416069499.db2.gz BKCPCIDCJQXUJY-RYUDHWBXSA-N 0 0 312.414 0.506 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCNC(C)=O ZINC000173925643 416069722 /nfs/dbraw/zinc/06/97/22/416069722.db2.gz LNVSECGBUHLMRO-ZDUSSCGKSA-N 0 0 312.414 0.555 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)Nc3nncs3)C2=O)n(C)n1 ZINC000174130121 416074063 /nfs/dbraw/zinc/07/40/63/416074063.db2.gz NRTUWEUHFVMPPA-QMMMGPOBSA-N 0 0 321.366 0.507 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(C)C)c1 ZINC000158854353 416002722 /nfs/dbraw/zinc/00/27/22/416002722.db2.gz BFQQZPVSOVPYKN-LBPRGKRZSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000158820028 416003478 /nfs/dbraw/zinc/00/34/78/416003478.db2.gz HLIKCWOOQMHBSW-VHSXEESVSA-N 0 0 301.364 0.768 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000158899231 416004748 /nfs/dbraw/zinc/00/47/48/416004748.db2.gz RKKBMTSCBLNVPQ-KRWDZBQOSA-N 0 0 313.357 0.688 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCCc1nccs1 ZINC000356929596 416007830 /nfs/dbraw/zinc/00/78/30/416007830.db2.gz DPDCWBAIAQTWIT-HNNXBMFYSA-N 0 0 321.402 0.805 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)NCc1cccs1 ZINC000170650583 416026671 /nfs/dbraw/zinc/02/66/71/416026671.db2.gz SJMZMUJDHNKGSP-UHFFFAOYSA-N 0 0 317.418 0.977 10 0 DCAERN C/C=C/C[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145482 416036544 /nfs/dbraw/zinc/03/65/44/416036544.db2.gz BWZVDUAWJDSFAD-OKPNEXGHSA-N 0 0 315.395 0.905 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1C(=O)CN(C)C1=O ZINC000345086456 416041155 /nfs/dbraw/zinc/04/11/55/416041155.db2.gz SIFRNKXYSMAXDJ-UHFFFAOYSA-N 0 0 318.333 0.502 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)cn1 ZINC000357933629 416155299 /nfs/dbraw/zinc/15/52/99/416155299.db2.gz UXBCGJVGRXRBCO-JTQLQIEISA-N 0 0 305.334 0.561 10 0 DCAERN CCCCOCCNC(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000174746358 416086279 /nfs/dbraw/zinc/08/62/79/416086279.db2.gz MGEHGWKQNWWINB-GFCCVEGCSA-N 0 0 312.332 0.918 10 0 DCAERN CCc1nnc([C@@H]2CN(c3ncnc4n[nH]cc43)CCO2)[nH]1 ZINC000301717515 416089811 /nfs/dbraw/zinc/08/98/11/416089811.db2.gz NZHLUNNRROCPTO-VIFPVBQESA-N 0 0 300.326 0.611 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cn[nH]c3)C2=O)n(C)n1 ZINC000174997235 416092805 /nfs/dbraw/zinc/09/28/05/416092805.db2.gz CWNRBQGCBRMUCI-LLVKDONJSA-N 0 0 302.338 0.377 10 0 DCAERN Cc1cccc2c1ncnc2N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000301885310 416096509 /nfs/dbraw/zinc/09/65/09/416096509.db2.gz LYWZONCALJJKBJ-GFCCVEGCSA-N 0 0 300.362 0.968 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCO)ncn1 ZINC000175148641 416097887 /nfs/dbraw/zinc/09/78/87/416097887.db2.gz NFVPKYWYIXNNGU-NWDGAFQWSA-N 0 0 322.413 0.557 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000175174447 416099935 /nfs/dbraw/zinc/09/99/35/416099935.db2.gz MPGORXMGBUJOBG-NWDGAFQWSA-N 0 0 307.398 0.880 10 0 DCAERN CNC(=O)[C@@H](Nc1nc(C)c(S(N)(=O)=O)s1)C(C)C ZINC000338489014 416103862 /nfs/dbraw/zinc/10/38/62/416103862.db2.gz JKSJKDPJIZQUTB-ZETCQYMHSA-N 0 0 306.413 0.281 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCC[C@](O)(CO)C2)c1 ZINC000313630914 416107810 /nfs/dbraw/zinc/10/78/10/416107810.db2.gz PQROKTLIEZSIKQ-MRXNPFEDSA-N 0 0 306.362 0.647 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)cc1 ZINC000313684454 416109552 /nfs/dbraw/zinc/10/95/52/416109552.db2.gz LLIGASHZOAVYTO-ZDUSSCGKSA-N 0 0 301.364 0.203 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175604975 416111222 /nfs/dbraw/zinc/11/12/22/416111222.db2.gz LJQDMPYARVSULD-ZDUSSCGKSA-N 0 0 307.398 0.892 10 0 DCAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NC[C@](C)(O)CO)cc1 ZINC000338626485 416117953 /nfs/dbraw/zinc/11/79/53/416117953.db2.gz NLUWLOBRASLHOF-GUYCJALGSA-N 0 0 323.389 0.835 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000176098104 416119876 /nfs/dbraw/zinc/11/98/76/416119876.db2.gz QSBXUBNXQXPION-IUCAKERBSA-N 0 0 321.299 0.038 10 0 DCAERN Cc1c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cnn1C ZINC000178116110 416156407 /nfs/dbraw/zinc/15/64/07/416156407.db2.gz LFUCGDIUMNBTOV-MWLCHTKSSA-N 0 0 316.365 0.682 10 0 DCAERN CC(C)c1nc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c[nH]1 ZINC000328610479 416122954 /nfs/dbraw/zinc/12/29/54/416122954.db2.gz HYTBKBGYKMCFPQ-VIFPVBQESA-N 0 0 310.383 0.938 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000176291012 416124140 /nfs/dbraw/zinc/12/41/40/416124140.db2.gz DZPGCWICFXKGQT-MARXPDLDSA-N 0 0 304.346 0.811 10 0 DCAERN c1nc2n(n1)C[C@H](Nc1nccc(N[C@@H]3CCCOC3)n1)CC2 ZINC000328638564 416125378 /nfs/dbraw/zinc/12/53/78/416125378.db2.gz PECDNFQWICOMGX-VXGBXAGGSA-N 0 0 315.381 1.086 10 0 DCAERN CN(Cc1nnnn1C)C(=O)COC/C=C\c1ccccc1 ZINC000357748891 416125934 /nfs/dbraw/zinc/12/59/34/416125934.db2.gz LLKNCYIZOGYRCS-TWGQIWQCSA-N 0 0 301.350 0.899 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768363 416130401 /nfs/dbraw/zinc/13/04/01/416130401.db2.gz XKLZPVDTZIRKRQ-CYBMUJFWSA-N 0 0 303.366 0.693 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)n1 ZINC000178107031 416156767 /nfs/dbraw/zinc/15/67/67/416156767.db2.gz CRUMTENAVDYUGC-NEPJUHHUSA-N 0 0 306.366 0.713 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328874397 416135962 /nfs/dbraw/zinc/13/59/62/416135962.db2.gz JKAREAARDAWMFP-BFHYXJOUSA-N 0 0 323.437 0.565 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000177064275 416139780 /nfs/dbraw/zinc/13/97/80/416139780.db2.gz TUOYTZQRZRMCOS-MRXNPFEDSA-N 0 0 315.329 0.948 10 0 DCAERN CC(=O)NC[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000177094662 416139982 /nfs/dbraw/zinc/13/99/82/416139982.db2.gz PWEQCLCKJCIKHH-LLVKDONJSA-N 0 0 320.315 0.776 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)CN1CCCC1=O ZINC000177046497 416140593 /nfs/dbraw/zinc/14/05/93/416140593.db2.gz OLDQBWBLKUUDQD-NEPJUHHUSA-N 0 0 300.399 0.632 10 0 DCAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233623 416141679 /nfs/dbraw/zinc/14/16/79/416141679.db2.gz LARVBZPQZOAYLH-JSGCOSHPSA-N 0 0 305.426 0.845 10 0 DCAERN O=C(N[C@H]1CCOc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000177120850 416142112 /nfs/dbraw/zinc/14/21/12/416142112.db2.gz COVSWPBSDROTBD-AAEUAGOBSA-N 0 0 316.361 0.929 10 0 DCAERN C[C@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000177274574 416144160 /nfs/dbraw/zinc/14/41/60/416144160.db2.gz APEUGZXHFJNKIM-JKSUJKDBSA-N 0 0 309.454 0.897 10 0 DCAERN Cn1cc(N2CCN(C(=O)c3ncncc3Cl)CC2=O)cn1 ZINC000177841218 416152882 /nfs/dbraw/zinc/15/28/82/416152882.db2.gz RHWSLXNFYRMPOY-UHFFFAOYSA-N 0 0 320.740 0.353 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)[C@H](C)C1 ZINC000357926552 416154185 /nfs/dbraw/zinc/15/41/85/416154185.db2.gz IQWVABRPQZZDBA-SECBINFHSA-N 0 0 320.374 0.449 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)COC ZINC000177972614 416154429 /nfs/dbraw/zinc/15/44/29/416154429.db2.gz RBECXXHHWLRDTH-WDEREUQCSA-N 0 0 311.386 0.841 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc(-c2ccncc2)on1 ZINC000178651039 416167498 /nfs/dbraw/zinc/16/74/98/416167498.db2.gz XETCULGETMRNMO-ZDUSSCGKSA-N 0 0 313.361 0.466 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(C)C ZINC000178700722 416169008 /nfs/dbraw/zinc/16/90/08/416169008.db2.gz CYRAIMRMNCCERO-BXUZGUMPSA-N 0 0 309.410 0.664 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178724988 416170589 /nfs/dbraw/zinc/17/05/89/416170589.db2.gz TXDAFAJVZCECSE-WMLDXEAASA-N 0 0 314.341 0.637 10 0 DCAERN CCS(=O)(=O)NCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000178743482 416171003 /nfs/dbraw/zinc/17/10/03/416171003.db2.gz PDVLPUATEGYRQA-UHFFFAOYSA-N 0 0 310.335 0.614 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)ccc1F ZINC000178957898 416180083 /nfs/dbraw/zinc/18/00/83/416180083.db2.gz PNWQQITUVZFOGI-ZDUSSCGKSA-N 0 0 320.368 0.189 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N(C)Cc2cnccn2)c1 ZINC000358056508 416181438 /nfs/dbraw/zinc/18/14/38/416181438.db2.gz FQRBCNYIJZXVII-UHFFFAOYSA-N 0 0 313.361 0.709 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)C(C)C ZINC000179124562 416183605 /nfs/dbraw/zinc/18/36/05/416183605.db2.gz RDNCWTZUCWZZHW-ZDUSSCGKSA-N 0 0 309.341 0.442 10 0 DCAERN CCC[C@H](CCO)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179454265 416187083 /nfs/dbraw/zinc/18/70/83/416187083.db2.gz URYPAGKDGVFRCV-LLVKDONJSA-N 0 0 311.386 0.549 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000358072767 416187940 /nfs/dbraw/zinc/18/79/40/416187940.db2.gz ZJDHFIWZWWEXDF-CQSZACIVSA-N 0 0 324.402 0.711 10 0 DCAERN O[C@@H](COc1ccccc1)CN1CCN(Cc2c[nH]cn2)CC1 ZINC000179539622 416188788 /nfs/dbraw/zinc/18/87/88/416188788.db2.gz OQGPUGZXFBPWAU-MRXNPFEDSA-N 0 0 316.405 0.967 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cn1 ZINC000179557117 416190085 /nfs/dbraw/zinc/19/00/85/416190085.db2.gz FXUAAJIHJZBLDG-MGPQQGTHSA-N 0 0 321.377 0.881 10 0 DCAERN C[C@@H](NC(=O)N[C@@H](C(N)=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000179608358 416191135 /nfs/dbraw/zinc/19/11/35/416191135.db2.gz CFAOJMAFOQUXFI-KOLCDFICSA-N 0 0 322.413 0.875 10 0 DCAERN COc1cc(CN2CCN(c3cnn(C)c3)C(=O)C2)ccc1O ZINC000180084970 416194606 /nfs/dbraw/zinc/19/46/06/416194606.db2.gz IEUSCYLVLHAAKQ-UHFFFAOYSA-N 0 0 316.361 0.983 10 0 DCAERN O=C(NCCCOCCO)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000180386610 416195694 /nfs/dbraw/zinc/19/56/94/416195694.db2.gz KQPQQGZEVLQZQA-HNNXBMFYSA-N 0 0 320.389 0.806 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cnn3c2CCCC3)O1 ZINC000180663020 416199922 /nfs/dbraw/zinc/19/99/22/416199922.db2.gz PFVRJLLHGBYQEC-SMDDNHRTSA-N 0 0 320.393 0.585 10 0 DCAERN Cc1nc(CC(=O)N2CCNC[C@@H]2c2cnn(C)c2)cs1 ZINC000181347263 416206819 /nfs/dbraw/zinc/20/68/19/416206819.db2.gz RUORYDKJCFVLCW-CYBMUJFWSA-N 0 0 305.407 0.901 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000358189093 416206925 /nfs/dbraw/zinc/20/69/25/416206925.db2.gz UCSCJRAGWKCIBF-CQSZACIVSA-N 0 0 308.382 0.932 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1 ZINC000181444870 416208497 /nfs/dbraw/zinc/20/84/97/416208497.db2.gz ANKMMSAWZSDYKF-AWEZNQCLSA-N 0 0 301.350 0.738 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000358196060 416208806 /nfs/dbraw/zinc/20/88/06/416208806.db2.gz MOZIEXZCVFSWIL-UHFFFAOYSA-N 0 0 305.382 0.606 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181599673 416210402 /nfs/dbraw/zinc/21/04/02/416210402.db2.gz MTNGEDZMZYQRNH-AWEZNQCLSA-N 0 0 301.346 0.813 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(OC)CCC1 ZINC000182004635 416212999 /nfs/dbraw/zinc/21/29/99/416212999.db2.gz LATYAVPBHIXOAB-LBPRGKRZSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000182212678 416216399 /nfs/dbraw/zinc/21/63/99/416216399.db2.gz FPDTYSQGYDGMPE-ZYHUDNBSSA-N 0 0 302.334 0.543 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000358274587 416220348 /nfs/dbraw/zinc/22/03/48/416220348.db2.gz LWZLURSJKNYDDD-CQSZACIVSA-N 0 0 321.377 0.564 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCCOC2)CC1 ZINC000341663514 416221145 /nfs/dbraw/zinc/22/11/45/416221145.db2.gz XRWLSRLRDBUUCP-GFCCVEGCSA-N 0 0 320.411 0.275 10 0 DCAERN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H](CO)C1CC1 ZINC000358298051 416222270 /nfs/dbraw/zinc/22/22/70/416222270.db2.gz DJKJRSHDVFQDOQ-LBPRGKRZSA-N 0 0 323.393 0.376 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@H](CO)C1CC1 ZINC000358327941 416223389 /nfs/dbraw/zinc/22/33/89/416223389.db2.gz XRVNWHICOVZTRQ-CYBMUJFWSA-N 0 0 301.350 0.340 10 0 DCAERN Cc1ccc([C@H](C)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000182565316 416226425 /nfs/dbraw/zinc/22/64/25/416226425.db2.gz HONMTCSBPMDTFQ-VIFPVBQESA-N 0 0 317.349 0.713 10 0 DCAERN COCCN(CC(=O)OC)C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000358359839 416227673 /nfs/dbraw/zinc/22/76/73/416227673.db2.gz UMFVQZNGZGWELF-GFCCVEGCSA-N 0 0 322.361 0.453 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H](C)CN2CCCC2=O)n(C)n1 ZINC000178203673 416159588 /nfs/dbraw/zinc/15/95/88/416159588.db2.gz OJPOTZOSLSHOCM-NSHDSACASA-N 0 0 323.397 0.741 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C)c1ccccc1 ZINC000357961670 416160000 /nfs/dbraw/zinc/16/00/00/416160000.db2.gz WREXFOVFDFFUGD-CFVMTHIKSA-N 0 0 320.389 0.720 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000329269701 416160486 /nfs/dbraw/zinc/16/04/86/416160486.db2.gz FHBCFASIDGCWCE-BLLLJJGKSA-N 0 0 310.394 0.794 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CCC(=O)NC2CCCC2)n1 ZINC000357967881 416161717 /nfs/dbraw/zinc/16/17/17/416161717.db2.gz ZEUGIAZUVPWBGE-QWHCGFSZSA-N 0 0 308.382 0.935 10 0 DCAERN NS(=O)(=O)CCCN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000178405499 416163501 /nfs/dbraw/zinc/16/35/01/416163501.db2.gz GNQZSJOEOJMPBN-VXGBXAGGSA-N 0 0 318.395 0.083 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328890456 287326525 /nfs/dbraw/zinc/32/65/25/287326525.db2.gz RRLATVAYQNFAIN-XQQFMLRXSA-N 0 0 308.382 0.920 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000183551349 416245782 /nfs/dbraw/zinc/24/57/82/416245782.db2.gz JZZVKBRZGCJZBK-NSHDSACASA-N 0 0 309.366 0.432 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)Cc1ccc(Br)s1 ZINC000183981454 416250807 /nfs/dbraw/zinc/25/08/07/416250807.db2.gz VARQWBDSPFHLLE-ZETCQYMHSA-N 0 0 322.180 0.703 10 0 DCAERN C[C@@]1(O)CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000185798100 416253316 /nfs/dbraw/zinc/25/33/16/416253316.db2.gz VKYASVGFIZIXEW-CZUORRHYSA-N 0 0 318.377 0.743 10 0 DCAERN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(C)(C)O ZINC000358574048 416256314 /nfs/dbraw/zinc/25/63/14/416256314.db2.gz ZLGWRYKEOGMIPO-LBPRGKRZSA-N 0 0 314.407 0.874 10 0 DCAERN Cc1cc(N2CCN(CC(=O)N(C)CC(F)(F)F)CC2)n[nH]1 ZINC000187183023 416260844 /nfs/dbraw/zinc/26/08/44/416260844.db2.gz CFFWGKFJYRYFAC-UHFFFAOYSA-N 0 0 319.331 0.861 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000188282903 416261795 /nfs/dbraw/zinc/26/17/95/416261795.db2.gz OPTCQPKSJQHIQW-WCQYABFASA-N 0 0 306.362 0.884 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000358689354 416269186 /nfs/dbraw/zinc/26/91/86/416269186.db2.gz MGCSXSAJVAXMBO-JSGCOSHPSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCNC(=O)C1CCC1 ZINC000190227789 416276482 /nfs/dbraw/zinc/27/64/82/416276482.db2.gz ZGZAMYMDCVIHIY-PWSUYJOCSA-N 0 0 304.412 0.390 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCN(CCCO)CC2)s1 ZINC000359194563 416311757 /nfs/dbraw/zinc/31/17/57/416311757.db2.gz AFTGUALLHQIVDS-UHFFFAOYSA-N 0 0 319.452 0.394 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000193811147 416319624 /nfs/dbraw/zinc/31/96/24/416319624.db2.gz FWJKHJMDCLAEHD-ZYHUDNBSSA-N 0 0 308.382 0.899 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000193811174 416319722 /nfs/dbraw/zinc/31/97/22/416319722.db2.gz FWJKHJMDCLAEHD-PWSUYJOCSA-N 0 0 308.382 0.899 10 0 DCAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C1 ZINC000193968850 416320833 /nfs/dbraw/zinc/32/08/33/416320833.db2.gz XCYLYEWHCMZHAO-WOPDTQHZSA-N 0 0 305.444 0.111 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2ccncn2)C[C@@H]1C ZINC000191253122 416285351 /nfs/dbraw/zinc/28/53/51/416285351.db2.gz GZABXZFYSVXOOC-AWEZNQCLSA-N 0 0 306.410 0.978 10 0 DCAERN C[C@H](c1nnnn1C1CC1)N1CCN(c2cccnn2)CC1 ZINC000191981544 416293828 /nfs/dbraw/zinc/29/38/28/416293828.db2.gz NOTORUMYAUXCHP-LLVKDONJSA-N 0 0 300.370 0.681 10 0 DCAERN CSCCCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000352162915 416298229 /nfs/dbraw/zinc/29/82/29/416298229.db2.gz TWEUTMZEHSRHDH-SNVBAGLBSA-N 0 0 309.457 0.161 10 0 DCAERN Cc1[nH]nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c1C ZINC000265172794 416340235 /nfs/dbraw/zinc/34/02/35/416340235.db2.gz DGLFDRZXFLQVOI-UHFFFAOYSA-N 0 0 314.392 0.665 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H](CO)CC1CCC1 ZINC000359340710 416342288 /nfs/dbraw/zinc/34/22/88/416342288.db2.gz LMOGBSMYVQGHNQ-XJKSGUPXSA-N 0 0 308.378 0.267 10 0 DCAERN COCCOC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000359341766 416342496 /nfs/dbraw/zinc/34/24/96/416342496.db2.gz FFWKLRLGNLEQDN-QWHCGFSZSA-N 0 0 308.378 0.973 10 0 DCAERN Cn1ccc([C@H](NC(=O)NC(CO)CO)c2ccc(F)cc2)n1 ZINC000359372549 416344090 /nfs/dbraw/zinc/34/40/90/416344090.db2.gz MUEAYAMHWRVMRJ-CQSZACIVSA-N 0 0 322.340 0.301 10 0 DCAERN COc1cc(C)ccc1CNC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000359679736 416353456 /nfs/dbraw/zinc/35/34/56/416353456.db2.gz HMETUDMCKRIYPS-GXTWGEPZSA-N 0 0 320.389 0.849 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000216441393 416327598 /nfs/dbraw/zinc/32/75/98/416327598.db2.gz MPCCIHOSJOGHMQ-QWRGUYRKSA-N 0 0 308.400 0.225 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3csc(CN)n3)C2)cn1 ZINC000237691158 416328574 /nfs/dbraw/zinc/32/85/74/416328574.db2.gz HQWKKPZGAYTPJK-JTQLQIEISA-N 0 0 320.422 0.734 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245435271 416331211 /nfs/dbraw/zinc/33/12/11/416331211.db2.gz QGMCUVQGBAMVFH-NOLJZWGESA-N 0 0 305.378 0.878 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000246650563 416332115 /nfs/dbraw/zinc/33/21/15/416332115.db2.gz VJDWQCSHPQIUGN-MXWKQRLJSA-N 0 0 311.407 0.864 10 0 DCAERN O=C(NCCCOC[C@@H]1CCOC1)c1cccc2ncnn21 ZINC000359838246 416362145 /nfs/dbraw/zinc/36/21/45/416362145.db2.gz VKQUZBKKECCBER-LBPRGKRZSA-N 0 0 304.350 0.902 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000360883819 416415406 /nfs/dbraw/zinc/41/54/06/416415406.db2.gz FPECJCINHJGOPY-HNNXBMFYSA-N 0 0 315.373 0.873 10 0 DCAERN Cc1nc(CN(C)C(=O)CNC(=O)Cc2ccc(O)cc2)no1 ZINC000360936413 416416700 /nfs/dbraw/zinc/41/67/00/416416700.db2.gz FFXSTWBJUAELEJ-UHFFFAOYSA-N 0 0 318.333 0.401 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@H](C)COC ZINC000360467788 416392109 /nfs/dbraw/zinc/39/21/09/416392109.db2.gz KTFMTRBTNRERML-WYUUTHIRSA-N 0 0 316.398 0.478 10 0 DCAERN O=C(CN1C[C@H](O)C[C@H]1CO)NC12CC3CC(CC(C3)C1)C2 ZINC000360502843 416393842 /nfs/dbraw/zinc/39/38/42/416393842.db2.gz GPSLCERKELJLPA-ULRUDBTPSA-N 0 0 308.422 0.499 10 0 DCAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000360668941 416402656 /nfs/dbraw/zinc/40/26/56/416402656.db2.gz ATDNZAIXLTYTSZ-XZBIERFOSA-N 0 0 324.421 0.416 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711938 416405232 /nfs/dbraw/zinc/40/52/32/416405232.db2.gz HNKAMXPOGIKSFG-ZUZCIYMTSA-N 0 0 304.350 0.902 10 0 DCAERN O=C(c1ccc[nH]1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360797407 416411099 /nfs/dbraw/zinc/41/10/99/416411099.db2.gz BDEFXDPAKNNWDX-NSHDSACASA-N 0 0 311.407 0.949 10 0 DCAERN CC(C)OCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360823107 416412368 /nfs/dbraw/zinc/41/23/68/416412368.db2.gz CXNPUNDBIVZNKY-GFCCVEGCSA-N 0 0 318.439 0.732 10 0 DCAERN CN(C(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617946 416477653 /nfs/dbraw/zinc/47/76/53/416477653.db2.gz MLHVOMXTIBUMPF-MRXNPFEDSA-N 0 0 321.425 0.879 10 0 DCAERN CC(C)(C)CCNC(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618034 416477746 /nfs/dbraw/zinc/47/77/46/416477746.db2.gz WLXHISBOFDFCSC-HNNXBMFYSA-N 0 0 309.414 0.641 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCC(=O)N(C)C ZINC000361702692 416479238 /nfs/dbraw/zinc/47/92/38/416479238.db2.gz NZQHTEKENOFRKZ-UHFFFAOYSA-N 0 0 309.370 0.077 10 0 DCAERN Cc1ccccc1C1(C(=O)N2CCC[C@](O)(C(N)=O)C2)CC1 ZINC000583620913 416479701 /nfs/dbraw/zinc/47/97/01/416479701.db2.gz BTVFDQNMAWIPHS-QGZVFWFLSA-N 0 0 302.374 0.865 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCC(=O)OC(C)C)[C@H](C)C1 ZINC000361449099 416437241 /nfs/dbraw/zinc/43/72/41/416437241.db2.gz KHRKSCUUKDHPMX-GFCCVEGCSA-N 0 0 313.398 0.980 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361531723 416444927 /nfs/dbraw/zinc/44/49/27/416444927.db2.gz BIXUQHVRWMVDHS-ZSZRGSJWSA-N 0 0 303.380 0.435 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000361575704 416451456 /nfs/dbraw/zinc/45/14/56/416451456.db2.gz CPOLXRXIZNRIOT-LBPRGKRZSA-N 0 0 315.443 0.547 10 0 DCAERN O=C(Nc1cc[nH]n1)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000582642103 416455292 /nfs/dbraw/zinc/45/52/92/416455292.db2.gz HPIQKBVHYSOPPU-UHFFFAOYSA-N 0 0 315.333 0.824 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)n1 ZINC000361912912 416521557 /nfs/dbraw/zinc/52/15/57/416521557.db2.gz SWOVACLYMFOFQP-SECBINFHSA-N 0 0 318.324 0.610 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(=O)OC)c1 ZINC000435951105 416543252 /nfs/dbraw/zinc/54/32/52/416543252.db2.gz YMRCCGCZTDLUID-SECBINFHSA-N 0 0 314.363 0.228 10 0 DCAERN O=C1[C@@H]2C[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@@H]3C[C@@H]3C2=O)cc1 ZINC000534032229 416493631 /nfs/dbraw/zinc/49/36/31/416493631.db2.gz CXVVDOLVBFVHNZ-KPWCQOOUSA-N 0 0 324.336 0.696 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000534298377 416497320 /nfs/dbraw/zinc/49/73/20/416497320.db2.gz CHQBNSUIDSUMGC-GFCCVEGCSA-N 0 0 317.345 0.660 10 0 DCAERN CNS(=O)(=O)CC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000434866501 416500944 /nfs/dbraw/zinc/50/09/44/416500944.db2.gz CVDRNSPSJKGYNJ-UHFFFAOYSA-N 0 0 322.390 0.097 10 0 DCAERN CNC(=O)[C@@H](Nc1cnn(C)c(=O)c1Br)C(C)C ZINC000434957710 416506824 /nfs/dbraw/zinc/50/68/24/416506824.db2.gz HYEPCVXOTMKBLI-VIFPVBQESA-N 0 0 317.187 0.725 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cn3cccnc3n2)O1 ZINC000538227845 416565398 /nfs/dbraw/zinc/56/53/98/416565398.db2.gz KZUIPBWBFVNSGW-JQWIXIFHSA-N 0 0 317.349 0.095 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000365697068 416607617 /nfs/dbraw/zinc/60/76/17/416607617.db2.gz UVMAVDKOQQPTTQ-ITGUQSILSA-N 0 0 300.424 0.963 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1O ZINC000436713978 416566811 /nfs/dbraw/zinc/56/68/11/416566811.db2.gz GWROXMQUAUWKGA-GHMZBOCLSA-N 0 0 322.361 0.887 10 0 DCAERN CCOC(=O)c1cnc(SC[C@H](COC)OC)nc1N ZINC000594880395 416567931 /nfs/dbraw/zinc/56/79/31/416567931.db2.gz DPTXKPUAEKNHET-QMMMGPOBSA-N 0 0 301.368 0.989 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C[C@H]1O ZINC000439845666 416620805 /nfs/dbraw/zinc/62/08/05/416620805.db2.gz ZFBCLTWEXUAAQP-GXFFZTMASA-N 0 0 317.345 0.201 10 0 DCAERN NC(=O)c1cccc(C(=O)NCC(=O)NC2CCCCC2)n1 ZINC000542873585 416635038 /nfs/dbraw/zinc/63/50/38/416635038.db2.gz QRTNHNPPEHHGTO-UHFFFAOYSA-N 0 0 304.350 0.359 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000366852477 416636349 /nfs/dbraw/zinc/63/63/49/416636349.db2.gz HVWDUNFRLTXIBE-LBPRGKRZSA-N 0 0 317.324 1.356 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCOC[C@H]2c2cccn2C)n1 ZINC000366801167 416636423 /nfs/dbraw/zinc/63/64/23/416636423.db2.gz NNEQPTMBURGLOS-AWEZNQCLSA-N 0 0 315.377 1.379 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543389924 416639254 /nfs/dbraw/zinc/63/92/54/416639254.db2.gz ALGGQHPVBMBBRI-JTQLQIEISA-N 0 0 302.338 0.263 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ncn(C)n2)c1 ZINC000440700462 416644364 /nfs/dbraw/zinc/64/43/64/416644364.db2.gz XNJBCNAGFSUVFY-VIFPVBQESA-N 0 0 323.378 0.214 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ncn(C)n1 ZINC000440712498 416644699 /nfs/dbraw/zinc/64/46/99/416644699.db2.gz LSGYXWHXHAUBLO-GHMZBOCLSA-N 0 0 301.350 0.811 10 0 DCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1CCC(=O)NC1 ZINC000441427428 416672579 /nfs/dbraw/zinc/67/25/79/416672579.db2.gz GXDQBXFUYNAMKD-MRVPVSSYSA-N 0 0 318.299 0.924 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000441490874 416673882 /nfs/dbraw/zinc/67/38/82/416673882.db2.gz WZXWFLRHGIWWTN-GFCCVEGCSA-N 0 0 318.377 0.695 10 0 DCAERN C[C@H](C(=O)N(C)C[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000368901893 416704373 /nfs/dbraw/zinc/70/43/73/416704373.db2.gz QFIWYVDDNUTNET-VXGBXAGGSA-N 0 0 323.393 0.877 10 0 DCAERN COC1(CC(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)CCC1 ZINC000515574522 416705185 /nfs/dbraw/zinc/70/51/85/416705185.db2.gz KENGMFKXJBNMGA-GFCCVEGCSA-N 0 0 320.393 0.991 10 0 DCAERN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)NC3CC3)c2)n1 ZINC000442771917 416715076 /nfs/dbraw/zinc/71/50/76/416715076.db2.gz QFZPKPIZZCBJAM-UHFFFAOYSA-N 0 0 314.349 0.550 10 0 DCAERN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)CCCO ZINC000443004407 416724897 /nfs/dbraw/zinc/72/48/97/416724897.db2.gz SQIKDSWCWQPXHA-JTQLQIEISA-N 0 0 304.350 0.522 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1 ZINC000558577244 416778169 /nfs/dbraw/zinc/77/81/69/416778169.db2.gz HJWNOMASTCKMPR-NSHDSACASA-N 0 0 319.340 0.728 10 0 DCAERN Cn1cc(OCC(=O)N2CCSC3(CCOCC3)C2)cn1 ZINC000558643282 416782691 /nfs/dbraw/zinc/78/26/91/416782691.db2.gz TZVWYLDMWXROSA-UHFFFAOYSA-N 0 0 311.407 0.924 10 0 DCAERN CC=CC[C@H]1NC(=O)N(CCS(=O)(=O)NC(C)(C)C)C1=O ZINC000517212616 416785403 /nfs/dbraw/zinc/78/54/03/416785403.db2.gz RFKKKTSJOGLTCP-WWQCOOJYSA-N 0 0 317.411 0.591 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)nn1C ZINC000631900272 416785755 /nfs/dbraw/zinc/78/57/55/416785755.db2.gz MNYTVHUYFQRWNS-GFCCVEGCSA-N 0 0 316.365 0.770 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586436 416802602 /nfs/dbraw/zinc/80/26/02/416802602.db2.gz OBDGFQUQDAAUBH-GFCCVEGCSA-N 0 0 313.361 0.924 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CCO1 ZINC000517775386 416825348 /nfs/dbraw/zinc/82/53/48/416825348.db2.gz SNWQKIXKZRGPFE-QLFBSQMISA-N 0 0 324.421 0.944 10 0 DCAERN O=C(Nc1nnc(C2CC2)s1)N1CCN2CCOC[C@@H]2C1 ZINC000564313385 416890932 /nfs/dbraw/zinc/89/09/32/416890932.db2.gz VDUJIJHVTGNGJH-JTQLQIEISA-N 0 0 309.395 0.964 10 0 DCAERN CC(=O)CCc1ccc(OCCC(=O)N2CC(O)(CO)C2)cc1 ZINC000615427592 416826182 /nfs/dbraw/zinc/82/61/82/416826182.db2.gz RWNHXZIQWGFZGJ-UHFFFAOYSA-N 0 0 321.373 0.543 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)n1 ZINC000623556823 416843699 /nfs/dbraw/zinc/84/36/99/416843699.db2.gz AFKKHGNQVLIASI-LPEHRKFASA-N 0 0 312.395 0.797 10 0 DCAERN CN1C(=O)CN(NC(=O)[C@@H]2Cc3ccccc3N(C)C2)C1=O ZINC000369965536 416855468 /nfs/dbraw/zinc/85/54/68/416855468.db2.gz YJMVKUHCINFQRB-LLVKDONJSA-N 0 0 302.334 0.220 10 0 DCAERN CNc1nc(C)cc(C(=O)NCc2cc3n(n2)CCCO3)n1 ZINC000565295827 416961431 /nfs/dbraw/zinc/96/14/31/416961431.db2.gz UEUJUXJELXWEBA-UHFFFAOYSA-N 0 0 302.338 0.736 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000615819081 416917383 /nfs/dbraw/zinc/91/73/83/416917383.db2.gz ZTEHSYQEVHNCOS-SYQHCUMBSA-N 0 0 321.377 0.124 10 0 DCAERN COC[C@@H](OC)C(=O)NCc1nn(C)cc1Br ZINC000615831755 416918940 /nfs/dbraw/zinc/91/89/40/416918940.db2.gz JWVQAUDVNOZURP-SECBINFHSA-N 0 0 306.160 0.460 10 0 DCAERN Cn1cc([C@@H](NC(=O)N(CCO)CCCO)C(F)(F)F)cn1 ZINC000446473954 416930301 /nfs/dbraw/zinc/93/03/01/416930301.db2.gz BCVYCNQRRGLVTF-SNVBAGLBSA-N 0 0 324.303 0.410 10 0 DCAERN Cc1cc(CNC(=O)c2ccnnc2)ccc1S(N)(=O)=O ZINC000446721742 416941701 /nfs/dbraw/zinc/94/17/01/416941701.db2.gz XCIWGFXQYXZLDT-UHFFFAOYSA-N 0 0 306.347 0.362 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000624076250 416952173 /nfs/dbraw/zinc/95/21/73/416952173.db2.gz OIJJTGMWFSKQJB-QSLWVIQJSA-N 0 0 322.409 0.197 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H]2C[C@@H]2C)C1 ZINC000447694503 417017937 /nfs/dbraw/zinc/01/79/37/417017937.db2.gz IEPWGTKRCFCTQE-IGQOVBAYSA-N 0 0 300.399 0.698 10 0 DCAERN CCO[C@H](CC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C(C)C ZINC000447756084 417025000 /nfs/dbraw/zinc/02/50/00/417025000.db2.gz VJLZCOCKGKPWAR-IAQYHMDHSA-N 0 0 311.382 0.638 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCC(=O)N2CCCC2)c1 ZINC000447146047 416967103 /nfs/dbraw/zinc/96/71/03/416967103.db2.gz AYXWAHZHYCDLKC-UHFFFAOYSA-N 0 0 323.324 0.511 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n1 ZINC000447223531 416972893 /nfs/dbraw/zinc/97/28/93/416972893.db2.gz RTJAWLFGUCWNSM-LLVKDONJSA-N 0 0 309.391 0.655 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000624262161 416993312 /nfs/dbraw/zinc/99/33/12/416993312.db2.gz JMRRJPULYHZXQR-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN c1cnc(N2CCN(c3nc(C4CCOCC4)no3)CC2)nn1 ZINC000624444539 417038725 /nfs/dbraw/zinc/03/87/25/417038725.db2.gz GNGCZPHCWJJOFU-UHFFFAOYSA-N 0 0 317.353 0.475 10 0 DCAERN c1nc(-c2noc(-c3ccnc(N4CCOCC4)n3)n2)n[nH]1 ZINC000624555878 417060307 /nfs/dbraw/zinc/06/03/07/417060307.db2.gz DYRZPBFTINQERY-UHFFFAOYSA-N 0 0 300.282 0.148 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccc(-n2ccnc2)nn1 ZINC000523115870 417076646 /nfs/dbraw/zinc/07/66/46/417076646.db2.gz SCAZNWDCEFBLKS-UHFFFAOYSA-N 0 0 314.349 0.405 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2ccnnc2)C1 ZINC000616604599 417082941 /nfs/dbraw/zinc/08/29/41/417082941.db2.gz XDZNQBVFSROSKI-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)[C@H]1CCCCCN1S(=O)(=O)c1ccccc1 ZINC000616625832 417082957 /nfs/dbraw/zinc/08/29/57/417082957.db2.gz ZGSVQFYKXYTZJY-LBPRGKRZSA-N 0 0 318.420 0.866 10 0 DCAERN Cc1nc(C)c(CNc2nc(C)c(S(N)(=O)=O)s2)o1 ZINC000382204431 417086721 /nfs/dbraw/zinc/08/67/21/417086721.db2.gz MZRRPOJDMCEPJX-UHFFFAOYSA-N 0 0 302.381 1.316 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(N)(=O)=O)CC1 ZINC000616629056 417086693 /nfs/dbraw/zinc/08/66/93/417086693.db2.gz PUQMMEWNQPJVRF-SNVBAGLBSA-N 0 0 307.416 0.911 10 0 DCAERN CC(=O)Nc1ccc([C@@H]2COCCCN2S(N)(=O)=O)cc1 ZINC000616648496 417087226 /nfs/dbraw/zinc/08/72/26/417087226.db2.gz NHOQIXOJNLCYAN-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2c[nH]nc2N)C1 ZINC000616647092 417087263 /nfs/dbraw/zinc/08/72/63/417087263.db2.gz AUSOOBUUEGHCHJ-NSHDSACASA-N 0 0 311.386 0.890 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2cccnn2)C1 ZINC000616650962 417088209 /nfs/dbraw/zinc/08/82/09/417088209.db2.gz DZFUQPHIINVOHJ-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN CS(=O)(=O)N1CCCOC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616649096 417088707 /nfs/dbraw/zinc/08/87/07/417088707.db2.gz QYABPARWXVHVDG-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616664909 417091450 /nfs/dbraw/zinc/09/14/50/417091450.db2.gz FKSMEVQDCNLPGP-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN CC(=O)Nc1ccccc1[C@H]1CCOCCN1S(N)(=O)=O ZINC000616659844 417091481 /nfs/dbraw/zinc/09/14/81/417091481.db2.gz JCOHZYGPOBSJLJ-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN CO[C@H](CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)C(F)(F)F ZINC000616765761 417108466 /nfs/dbraw/zinc/10/84/66/417108466.db2.gz KGOQIMYOPCSNSA-LOKLDPHHSA-N 0 0 307.272 0.641 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000524579902 417109950 /nfs/dbraw/zinc/10/99/50/417109950.db2.gz DUJUZVVYJLHTPI-RYUDHWBXSA-N 0 0 311.382 0.720 10 0 DCAERN COC[C@@](C)(O)CNC(=O)CCc1nc2ccccc2oc1=O ZINC000524716268 417115789 /nfs/dbraw/zinc/11/57/89/417115789.db2.gz QWLNNGNEODDJOC-INIZCTEOSA-N 0 0 320.345 0.634 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC000404212493 417118165 /nfs/dbraw/zinc/11/81/65/417118165.db2.gz WRVGOABOZQQKEJ-CYBMUJFWSA-N 0 0 306.428 0.627 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000404190255 417118647 /nfs/dbraw/zinc/11/86/47/417118647.db2.gz FFHZVWDEKGJQKH-FRRDWIJNSA-N 0 0 306.428 0.340 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCCOCC1 ZINC000408006348 417132699 /nfs/dbraw/zinc/13/26/99/417132699.db2.gz YAIPCMKOCCHURJ-ZDUSSCGKSA-N 0 0 305.382 0.877 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000408029026 417133332 /nfs/dbraw/zinc/13/33/32/417133332.db2.gz VWTBKQYAMJIOFL-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029428 417133714 /nfs/dbraw/zinc/13/37/14/417133714.db2.gz BUFJZTLULHAISY-IHRRRGAJSA-N 0 0 314.426 0.748 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)CC1 ZINC000408071597 417138228 /nfs/dbraw/zinc/13/82/28/417138228.db2.gz CLMZZLJZJBSAHH-CABCVRRESA-N 0 0 311.426 0.303 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000431740551 417138275 /nfs/dbraw/zinc/13/82/75/417138275.db2.gz HHJRAFUMEANCMY-NXEZZACHSA-N 0 0 304.372 0.072 10 0 DCAERN Cn1nc(NC(=O)C(=O)N2CCCSCC2)cc1C1CC1 ZINC000568453956 417138338 /nfs/dbraw/zinc/13/83/38/417138338.db2.gz QLFFEWAVHBSJFK-UHFFFAOYSA-N 0 0 308.407 1.202 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408112365 417141030 /nfs/dbraw/zinc/14/10/30/417141030.db2.gz KEEKIPFKHOHOQA-OPRDCNLKSA-N 0 0 307.316 0.606 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2ccc(C(=O)OC)[nH]2)CC12COC2 ZINC000449356249 417146032 /nfs/dbraw/zinc/14/60/32/417146032.db2.gz BHWBQXQXCDCBKM-LBPRGKRZSA-N 0 0 322.361 0.813 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC000408229852 417148796 /nfs/dbraw/zinc/14/87/96/417148796.db2.gz YGSLPUJMNFKHHC-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN CO[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC[C@@H]1C ZINC000408255437 417150679 /nfs/dbraw/zinc/15/06/79/417150679.db2.gz HVNNJMILUGYVRR-KANYHAFZSA-N 0 0 323.393 0.590 10 0 DCAERN O=C(CCc1ccc(O)cc1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000568590378 417154146 /nfs/dbraw/zinc/15/41/46/417154146.db2.gz ZBYOKDWWXZWTCC-MRXNPFEDSA-N 0 0 317.345 0.525 10 0 DCAERN COCc1ncc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c(N)n1 ZINC000408305388 417154188 /nfs/dbraw/zinc/15/41/88/417154188.db2.gz JKQZUCQMWWYXJQ-RYUDHWBXSA-N 0 0 306.366 0.989 10 0 DCAERN C[C@@H]1[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000568833630 417181671 /nfs/dbraw/zinc/18/16/71/417181671.db2.gz NITVOYQPSMJCII-DTWKUNHWSA-N 0 0 304.393 0.363 10 0 DCAERN Cn1nccc1S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632670093 417221178 /nfs/dbraw/zinc/22/11/78/417221178.db2.gz JLGPLUYYQKBSOM-JGVFFNPUSA-N 0 0 313.301 0.211 10 0 DCAERN O=S(=O)(N1CCCC1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632670840 417222378 /nfs/dbraw/zinc/22/23/78/417222378.db2.gz CADTWRRMQWKRIU-DTWKUNHWSA-N 0 0 302.318 0.430 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000450419649 417223315 /nfs/dbraw/zinc/22/33/15/417223315.db2.gz OQAGMCBYRZLFNX-INIZCTEOSA-N 0 0 305.378 0.248 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H]1CCC(C)(C)O1 ZINC000408468741 417164464 /nfs/dbraw/zinc/16/44/64/417164464.db2.gz RIBMITNGBXTSCX-GHMZBOCLSA-N 0 0 305.396 0.216 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)c2ccccc2F)C1 ZINC000414209635 417266694 /nfs/dbraw/zinc/26/66/94/417266694.db2.gz NJLGXCBOZYNUDI-JTQLQIEISA-N 0 0 321.395 0.881 10 0 DCAERN CCCOc1nccnc1N1CC[C@H](S(=O)(=O)NC)C1 ZINC000527933956 417288147 /nfs/dbraw/zinc/28/81/47/417288147.db2.gz JPEAPCONVXONEP-JTQLQIEISA-N 0 0 300.384 0.393 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267966 417232890 /nfs/dbraw/zinc/23/28/90/417232890.db2.gz QXBGSDFGFTUDDH-KBPBESRZSA-N 0 0 324.425 0.160 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccc3nc(C)nn3n2)CC12COC2 ZINC000450570561 417238431 /nfs/dbraw/zinc/23/84/31/417238431.db2.gz PHKHJOWNAHUSES-LLVKDONJSA-N 0 0 317.349 0.449 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2nccn3cnnc23)CC12COC2 ZINC000450566516 417239055 /nfs/dbraw/zinc/23/90/55/417239055.db2.gz KVYXNDCTHYBUCF-JTQLQIEISA-N 0 0 303.322 0.140 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)NC2CCCC2)CC12COC2 ZINC000451138101 417306064 /nfs/dbraw/zinc/30/60/64/417306064.db2.gz PWDDBPQGXBVRPP-ZDUSSCGKSA-N 0 0 310.394 0.557 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)C[C@H](C)COCC)C1 ZINC000451308493 417331040 /nfs/dbraw/zinc/33/10/40/417331040.db2.gz CLMILYVGIRFKCN-NEPJUHHUSA-N 0 0 321.443 0.382 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CCn1c(C)csc1=O ZINC000643879721 417408578 /nfs/dbraw/zinc/40/85/78/417408578.db2.gz YZDAUZCKYQQIHT-CYBMUJFWSA-N 0 0 300.380 0.784 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000633363597 417416896 /nfs/dbraw/zinc/41/68/96/417416896.db2.gz JHSYIAACUQYFMW-CHWSQXEVSA-N 0 0 310.398 0.260 10 0 DCAERN COC1(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CCCC1 ZINC000452171249 417458452 /nfs/dbraw/zinc/45/84/52/417458452.db2.gz PDBFMSDXXAYMCU-HNNXBMFYSA-N 0 0 308.378 0.675 10 0 DCAERN CCOCC1(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000452224653 417460286 /nfs/dbraw/zinc/46/02/86/417460286.db2.gz PRCYUIBZGBKKAV-GFCCVEGCSA-N 0 0 311.378 0.841 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000633689025 417478229 /nfs/dbraw/zinc/47/82/29/417478229.db2.gz YIEPURKXGNFELC-QWHCGFSZSA-N 0 0 304.350 0.857 10 0 DCAERN CCn1nc(NC(=O)CN2CCCC[C@@H](O)C2=O)cc1C1CC1 ZINC000644384368 417559823 /nfs/dbraw/zinc/55/98/23/417559823.db2.gz SCDNGCSIDGVBHN-CYBMUJFWSA-N 0 0 320.393 1.092 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nccn1C ZINC000627757184 417498253 /nfs/dbraw/zinc/49/82/53/417498253.db2.gz RGKONPOCXFEAIO-UHFFFAOYSA-N 0 0 309.370 0.168 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000633868622 417500915 /nfs/dbraw/zinc/50/09/15/417500915.db2.gz ASZNHRTXWQTRAW-GHMZBOCLSA-N 0 0 317.345 0.474 10 0 DCAERN CCn1nnc(C)c1CNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000627876126 417522033 /nfs/dbraw/zinc/52/20/33/417522033.db2.gz HFWPGKDFCCJKHJ-UHFFFAOYSA-N 0 0 319.340 0.792 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)OC)CC12COC2 ZINC000454824543 417581562 /nfs/dbraw/zinc/58/15/62/417581562.db2.gz KLVRFMZOAIHNTQ-SRVKXCTJSA-N 0 0 314.382 0.631 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000455573596 417609295 /nfs/dbraw/zinc/60/92/95/417609295.db2.gz HBPYKHBZGIVHJU-PTRXPTGYSA-N 0 0 323.315 0.739 10 0 DCAERN COCc1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)o1 ZINC000628376304 417611485 /nfs/dbraw/zinc/61/14/85/417611485.db2.gz OQADVIKALWYJKL-HUUCEWRRSA-N 0 0 307.350 0.784 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2C(=O)Cn1cccn1 ZINC000456250555 417640597 /nfs/dbraw/zinc/64/05/97/417640597.db2.gz XYXUJYIHCOBZBR-UHFFFAOYSA-N 0 0 314.345 0.727 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ncn(C)n2)c1 ZINC000440700458 287405725 /nfs/dbraw/zinc/40/57/25/287405725.db2.gz XNJBCNAGFSUVFY-SECBINFHSA-N 0 0 323.378 0.214 10 0 DCAERN CC(C)(C)n1ncc2c1nc(NC[C@@H](O)C(F)F)[nH]c2=O ZINC000579189766 417689953 /nfs/dbraw/zinc/68/99/53/417689953.db2.gz SZDIRCBAYIHVPF-SSDOTTSWSA-N 0 0 301.297 1.325 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)CC1 ZINC000580348364 417700054 /nfs/dbraw/zinc/70/00/54/417700054.db2.gz NNMFRKQBNJNESU-LBPRGKRZSA-N 0 0 319.336 0.526 10 0 DCAERN O=C(NCc1cc[nH]n1)C(=O)Nc1cccc2c1OCCC2 ZINC000531867696 417646939 /nfs/dbraw/zinc/64/69/39/417646939.db2.gz BZBLWFCJKKAWDZ-UHFFFAOYSA-N 0 0 300.318 0.990 10 0 DCAERN CCO[C@@H]1CCC[C@H]1NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000456976111 417673330 /nfs/dbraw/zinc/67/33/30/417673330.db2.gz IOIGRUGNSPXCCQ-XJKCOSOUSA-N 0 0 308.378 0.673 10 0 DCAERN CCC(C)(C)OCCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000457365615 417706937 /nfs/dbraw/zinc/70/69/37/417706937.db2.gz WXUKQNFAANFQIX-INIZCTEOSA-N 0 0 310.394 0.921 10 0 DCAERN Cc1cc([C@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)c(C)o1 ZINC000458049115 417718109 /nfs/dbraw/zinc/71/81/09/417718109.db2.gz AVMQXYWXUQKSBE-CMPLNLGQSA-N 0 0 307.354 0.909 10 0 DCAERN O=C(CCSc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000458118430 417721936 /nfs/dbraw/zinc/72/19/36/417721936.db2.gz BEKLLTGDFFCRSF-LBPRGKRZSA-N 0 0 306.391 0.938 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923940 417727561 /nfs/dbraw/zinc/72/75/61/417727561.db2.gz AFIIJFPVSHAUIV-SECBINFHSA-N 0 0 302.172 0.838 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)O1 ZINC000628991360 417738233 /nfs/dbraw/zinc/73/82/33/417738233.db2.gz VQVRYNNNHJPJJW-KGYLQXTDSA-N 0 0 306.366 0.565 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1ccc2oc(=O)n(C)c2c1)C(C)C ZINC000629061888 417740762 /nfs/dbraw/zinc/74/07/62/417740762.db2.gz DSOCQXQBQVYECF-AWEZNQCLSA-N 0 0 319.361 0.908 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC(C)(C)C(=O)N1CCCC1)C(C)C ZINC000629066191 417741446 /nfs/dbraw/zinc/74/14/46/417741446.db2.gz QLMKNPIDZOISOG-ZDUSSCGKSA-N 0 0 311.426 0.912 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)NC[C@@H](CO)c1ccccc1 ZINC000444560377 287427893 /nfs/dbraw/zinc/42/78/93/287427893.db2.gz DGOXUZZKLYGQFG-ZDUSSCGKSA-N 0 0 319.361 0.211 10 0 DCAERN CCN1CCO[C@@H](CNc2nnc(C)o2)[C@@H]1c1cnn(C)c1 ZINC000664314306 418111577 /nfs/dbraw/zinc/11/15/77/418111577.db2.gz YXIOSWOXQYMKHV-STQMWFEESA-N 0 0 306.370 0.985 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1S(C)(=O)=O ZINC000664266788 418106609 /nfs/dbraw/zinc/10/66/09/418106609.db2.gz FPQSOLBHCPCKIN-WDEREUQCSA-N 0 0 319.404 0.314 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccncc1Br ZINC000664269044 418107599 /nfs/dbraw/zinc/10/75/99/418107599.db2.gz NWUKNIOZHCJDJR-VHSXEESVSA-N 0 0 321.196 0.490 10 0 DCAERN CC(C)c1[nH]nc(C(N)=O)c1NS(=O)(=O)N1CCC[C@@H]1C ZINC000451117703 287456433 /nfs/dbraw/zinc/45/64/33/287456433.db2.gz UXQJWQZFDYOGMQ-QMMMGPOBSA-N 0 0 315.399 0.773 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000179430511 545899195 /nfs/dbraw/zinc/89/91/95/545899195.db2.gz DWQHSVPGDFPYTM-VHSXEESVSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1cc([C@@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)c(C)o1 ZINC000458049123 287496711 /nfs/dbraw/zinc/49/67/11/287496711.db2.gz AVMQXYWXUQKSBE-PWSUYJOCSA-N 0 0 307.354 0.909 10 0 DCAERN CCCn1nccc1NC(=O)CCN1CCCS1(=O)=O ZINC000194175868 545932411 /nfs/dbraw/zinc/93/24/11/545932411.db2.gz IYSWBRPAQNFEIO-UHFFFAOYSA-N 0 0 300.384 0.657 10 0 DCAERN Cn1cc([C@H](CO)NCc2c(Br)cnn2C)cn1 ZINC000487536786 287538895 /nfs/dbraw/zinc/53/88/95/287538895.db2.gz LRZDXCBLEOFFKT-JTQLQIEISA-N 0 0 314.187 0.739 10 0 DCAERN C[C@@H](C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)n1cncn1 ZINC000487736460 287540340 /nfs/dbraw/zinc/54/03/40/287540340.db2.gz GHQYPSAPDXMMNB-CBAPKCEASA-N 0 0 302.260 0.992 10 0 DCAERN CCOc1cncc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742956 229378798 /nfs/dbraw/zinc/37/87/98/229378798.db2.gz LADWFWWOGPDQGH-NEPJUHHUSA-N 0 0 324.356 0.651 10 0 DCAERN CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc1CC ZINC000302672439 230343997 /nfs/dbraw/zinc/34/39/97/230343997.db2.gz KZRZJJUTJGGRCG-JTQLQIEISA-N 0 0 313.427 0.467 10 0 DCAERN C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccn1 ZINC000025405875 261103658 /nfs/dbraw/zinc/10/36/58/261103658.db2.gz NZKHLMOKDKFNNS-SNVBAGLBSA-N 0 0 312.333 0.402 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCOC3)CC2)n1 ZINC000179171574 261111820 /nfs/dbraw/zinc/11/18/20/261111820.db2.gz APOXZKIYZOTWSC-CMPLNLGQSA-N 0 0 309.370 0.555 10 0 DCAERN CN(C)C(=O)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000179331051 261113274 /nfs/dbraw/zinc/11/32/74/261113274.db2.gz RZYNJAOAJDKAIT-UHFFFAOYSA-N 0 0 304.393 0.360 10 0 DCAERN COCCN1CCN(C(=O)/C=C/c2cncc(O)c2)C[C@@H]1C ZINC000182026769 261115496 /nfs/dbraw/zinc/11/54/96/261115496.db2.gz WHCHAGHULATBNG-OOPCZODUSA-N 0 0 305.378 0.980 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CC[S@]1=O ZINC000186769834 261121891 /nfs/dbraw/zinc/12/18/91/261121891.db2.gz IDRKHGZFDWWBLQ-JEOXALJRSA-N 0 0 323.480 0.817 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187268059 261122735 /nfs/dbraw/zinc/12/27/35/261122735.db2.gz VFIMQYRLWNRPIJ-UONOGXRCSA-N 0 0 322.405 0.471 10 0 DCAERN CO[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)CC[C@@H]1C ZINC000187414028 261124179 /nfs/dbraw/zinc/12/41/79/261124179.db2.gz VUXXMUYRTZVYKH-IUCAKERBSA-N 0 0 311.304 0.731 10 0 DCAERN CO[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC[C@H]1C ZINC000187734047 261125158 /nfs/dbraw/zinc/12/51/58/261125158.db2.gz UBTUCXBBJYITGM-YPMHNXCESA-N 0 0 318.439 0.541 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@@H](CO)O1 ZINC000188615872 261129859 /nfs/dbraw/zinc/12/98/59/261129859.db2.gz GAGKTYQPGDCTQA-YPMHNXCESA-N 0 0 308.382 0.439 10 0 DCAERN Cc1cc(CCNC(=O)CN(C)S(C)(=O)=O)cc(C)c1O ZINC000188728882 261129879 /nfs/dbraw/zinc/12/98/79/261129879.db2.gz SXRCPYRSRHVUDG-UHFFFAOYSA-N 0 0 314.407 0.559 10 0 DCAERN Cn1cc(S(=O)(=O)NC[C@H]2CCC(C)(C)O2)cc1C(N)=O ZINC000188749184 261130222 /nfs/dbraw/zinc/13/02/22/261130222.db2.gz RPEISFVQLXKEGB-SECBINFHSA-N 0 0 315.395 0.360 10 0 DCAERN CCc1noc([C@H](C)N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189190182 261130412 /nfs/dbraw/zinc/13/04/12/261130412.db2.gz UDPBYXMGBVPLBH-QWRGUYRKSA-N 0 0 320.401 0.595 10 0 DCAERN COc1ccc(F)cc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000189372338 261132006 /nfs/dbraw/zinc/13/20/06/261132006.db2.gz CNMTZBVPSKTULN-UHFFFAOYSA-N 0 0 307.281 0.001 10 0 DCAERN COC(=O)c1ccc(CCC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190527394 261134337 /nfs/dbraw/zinc/13/43/37/261134337.db2.gz ITAAIIJNMDXERS-UHFFFAOYSA-N 0 0 304.346 0.753 10 0 DCAERN COCCN1CCCN(Cc2ccoc2C(=O)OC)CC1=O ZINC000190798457 261135667 /nfs/dbraw/zinc/13/56/67/261135667.db2.gz MGFQMCNWHVWBQW-UHFFFAOYSA-N 0 0 310.350 0.747 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000193142936 261140644 /nfs/dbraw/zinc/14/06/44/261140644.db2.gz AQSRUTUTOWFXBI-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)Nc2cnn(CC(N)=O)c2)n1 ZINC000193601685 261143262 /nfs/dbraw/zinc/14/32/62/261143262.db2.gz CKHQSBBAPFKVME-UHFFFAOYSA-N 0 0 320.353 0.620 10 0 DCAERN CCCCN(CC(N)=O)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000194106015 261144935 /nfs/dbraw/zinc/14/49/35/261144935.db2.gz DAHZTDGTNIOKFC-UHFFFAOYSA-N 0 0 304.350 0.444 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000194633505 261146496 /nfs/dbraw/zinc/14/64/96/261146496.db2.gz BAFNZIIUSXLBRI-MCIONIFRSA-N 0 0 321.421 0.762 10 0 DCAERN CCCCNC(=O)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194870927 261149299 /nfs/dbraw/zinc/14/92/99/261149299.db2.gz ABRGLRUVHIIQAZ-CQSZACIVSA-N 0 0 317.389 0.969 10 0 DCAERN CO[C@@]1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCOC1 ZINC000356093018 261390493 /nfs/dbraw/zinc/39/04/93/261390493.db2.gz JRMORPMTOIVJRQ-LBPRGKRZSA-N 0 0 300.336 0.078 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358179535 261644147 /nfs/dbraw/zinc/64/41/47/261644147.db2.gz AETJODYIHMZYEH-CQSZACIVSA-N 0 0 319.409 0.900 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000358303095 261656888 /nfs/dbraw/zinc/65/68/88/261656888.db2.gz ARMIJQXDTHULEX-AWEZNQCLSA-N 0 0 321.377 0.612 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000359519186 261752232 /nfs/dbraw/zinc/75/22/32/261752232.db2.gz UWEUUTKKPJESEH-DZGCQCFKSA-N 0 0 322.405 0.955 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360107556 261790961 /nfs/dbraw/zinc/79/09/61/261790961.db2.gz LAGWPKOBBBSDDQ-AWEZNQCLSA-N 0 0 314.407 0.963 10 0 DCAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000360668940 261859842 /nfs/dbraw/zinc/85/98/42/261859842.db2.gz ATDNZAIXLTYTSZ-SYEQVDHESA-N 0 0 324.421 0.416 10 0 DCAERN O=C(CNC(=O)c1cc(-c2cccnc2)on1)NCC(F)F ZINC000361369166 261917329 /nfs/dbraw/zinc/91/73/29/261917329.db2.gz IDWVDVJRGJBVHP-UHFFFAOYSA-N 0 0 310.260 0.848 10 0 DCAERN CC(C)O[C@H]1C[C@H](NC(=O)N(C)Cc2nnnn2C)C1(C)C ZINC000361821491 261964838 /nfs/dbraw/zinc/96/48/38/261964838.db2.gz RSGWVRZOPWHAIT-QWRGUYRKSA-N 0 0 310.402 0.944 10 0 DCAERN CCN1C[C@@H](C(=O)NC(C)(C)c2cc(C(=O)OC)on2)CC1=O ZINC000362312232 262021730 /nfs/dbraw/zinc/02/17/30/262021730.db2.gz IHGIVYICYRJAGD-VIFPVBQESA-N 0 0 323.349 0.681 10 0 DCAERN CN(C)c1noc(CCC(=O)NCC(=O)NC2CCCCC2)n1 ZINC000362339694 262023862 /nfs/dbraw/zinc/02/38/62/262023862.db2.gz MPIWXVOTZVPMIL-UHFFFAOYSA-N 0 0 323.397 0.633 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC(N)=O ZINC000362610322 262051969 /nfs/dbraw/zinc/05/19/69/262051969.db2.gz DAUTXXJBPLEXTF-UHFFFAOYSA-N 0 0 303.322 0.157 10 0 DCAERN O=C(NCc1ccccc1OCCO)N1CC[C@@H](CCO)C1 ZINC000362703129 262063340 /nfs/dbraw/zinc/06/33/40/262063340.db2.gz HKXLEKUWRQBYTP-ZDUSSCGKSA-N 0 0 308.378 0.972 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362818165 262075426 /nfs/dbraw/zinc/07/54/26/262075426.db2.gz SBAPWXRGCDIPBP-QWRGUYRKSA-N 0 0 307.350 0.780 10 0 DCAERN CCCNC(=O)c1ccc(N2CCN(CC(=O)OC)CC2)nc1 ZINC000362824337 262076945 /nfs/dbraw/zinc/07/69/45/262076945.db2.gz AQFJWBMJSULNKG-UHFFFAOYSA-N 0 0 320.393 0.516 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(n2cccn2)CC1 ZINC000363133619 262100650 /nfs/dbraw/zinc/10/06/50/262100650.db2.gz VKQIIYWHXOKEAP-CYBMUJFWSA-N 0 0 308.407 0.968 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000363246591 262108439 /nfs/dbraw/zinc/10/84/39/262108439.db2.gz ZEQUBMDWLVUFOU-VXGBXAGGSA-N 0 0 311.407 0.177 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CC2(CC2)c2ccccc21 ZINC000363557429 262120791 /nfs/dbraw/zinc/12/07/91/262120791.db2.gz ZLGLJRARVOOLDP-UHFFFAOYSA-N 0 0 309.391 0.797 10 0 DCAERN Cc1csc2nc(CN3CCN4CCOC[C@H]4C3)cc(=O)n12 ZINC000363787813 262129961 /nfs/dbraw/zinc/12/99/61/262129961.db2.gz AWKWZKCOEXJZPP-CYBMUJFWSA-N 0 0 320.418 0.581 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363812404 262132256 /nfs/dbraw/zinc/13/22/56/262132256.db2.gz DDJLJKLEWPZIOR-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN C/C(=C\C(=O)N1CC(n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000364015523 262140356 /nfs/dbraw/zinc/14/03/56/262140356.db2.gz VQMXIAAZTHKXTN-YRNVUSSQSA-N 0 0 311.345 0.864 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC(=O)N1C ZINC000374429269 262157893 /nfs/dbraw/zinc/15/78/93/262157893.db2.gz MJUJAVNLBXTKFE-NEPJUHHUSA-N 0 0 307.394 0.467 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccccc1F ZINC000155770835 533685840 /nfs/dbraw/zinc/68/58/40/533685840.db2.gz FXYGJVCLPSUFEY-VHSXEESVSA-N 0 0 307.325 0.877 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000358795180 271073486 /nfs/dbraw/zinc/07/34/86/271073486.db2.gz FTQAONZWYUAUPL-HZSPNIEDSA-N 0 0 309.410 0.761 10 0 DCAERN COC[C@@H]1CCN(C(=O)C(=O)NCCc2cccc(OC)n2)C1 ZINC000359237961 271110796 /nfs/dbraw/zinc/11/07/96/271110796.db2.gz NARWKFPQXLFICB-GFCCVEGCSA-N 0 0 321.377 0.244 10 0 DCAERN NC(=O)COc1ccc(NC(=O)c2cccc3ncnn32)cc1 ZINC000359661118 271138401 /nfs/dbraw/zinc/13/84/01/271138401.db2.gz ZZUFMSBAVZYRTP-UHFFFAOYSA-N 0 0 311.301 0.846 10 0 DCAERN C[C@H](CO)CS(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275981 271176566 /nfs/dbraw/zinc/17/65/66/271176566.db2.gz SVDXYFHEDOXAIP-SECBINFHSA-N 0 0 315.347 0.397 10 0 DCAERN C[C@@H](O)[C@H](C)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275298 271178009 /nfs/dbraw/zinc/17/80/09/271178009.db2.gz JVPIBMXRZBCTPV-BDAKNGLRSA-N 0 0 315.347 0.538 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CCC[C@H](O)C2)CC1 ZINC000439715433 271644580 /nfs/dbraw/zinc/64/45/80/271644580.db2.gz DZFJQSHQRIZRNY-OLZOCXBDSA-N 0 0 312.410 0.633 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@H](C)N(C3CC3)C2=O)c1 ZINC000445947234 271751465 /nfs/dbraw/zinc/75/14/65/271751465.db2.gz SDTKXNKGEDLETN-VIFPVBQESA-N 0 0 323.374 0.914 10 0 DCAERN COc1cccc(CCNC(=O)NCCc2ncn(C)n2)n1 ZINC000446749953 271767742 /nfs/dbraw/zinc/76/77/42/271767742.db2.gz CYXVBAKXHCXFGS-UHFFFAOYSA-N 0 0 304.354 0.303 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC(n3ccnn3)C2)c1 ZINC000447223757 271778920 /nfs/dbraw/zinc/77/89/20/271778920.db2.gz SMJDMVARKKNGKJ-UHFFFAOYSA-N 0 0 300.322 0.312 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCC[C@H](C)O)c1 ZINC000447620727 271793682 /nfs/dbraw/zinc/79/36/82/271793682.db2.gz VQSVJUKELDUMSU-JTQLQIEISA-N 0 0 300.380 0.486 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)c2cccn2C)CC12COC2 ZINC000452225802 271911486 /nfs/dbraw/zinc/91/14/86/271911486.db2.gz QZBXAOUBYMNVOF-LLVKDONJSA-N 0 0 320.345 0.246 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccc(O)cc2)CC12COC2 ZINC000452227846 271911489 /nfs/dbraw/zinc/91/14/89/271911489.db2.gz MDXUAZSVPFOHKD-CQSZACIVSA-N 0 0 319.357 0.973 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC2CCOCC2)CC12COC2 ZINC000452269305 271913105 /nfs/dbraw/zinc/91/31/05/271913105.db2.gz XQLOYAUCFKIUNH-ZDUSSCGKSA-N 0 0 311.378 0.841 10 0 DCAERN Cc1cc2ccccc2n1CC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458127699 271943411 /nfs/dbraw/zinc/94/34/11/271943411.db2.gz DBPZVPXQNHZWOV-AWEZNQCLSA-N 0 0 313.361 0.719 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C12CC3CC(CC(C3)C1)C2 ZINC000458146521 271944638 /nfs/dbraw/zinc/94/46/38/271944638.db2.gz SBIOVOUQAIXEDF-IXUJDMMCSA-N 0 0 304.394 0.972 10 0 DCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000458682566 271967866 /nfs/dbraw/zinc/96/78/66/271967866.db2.gz CSFKDSALXSCXOE-MXWKQRLJSA-N 0 0 307.416 0.181 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)NC[C@H](O)Cn1ccnn1)C(F)(F)F ZINC000459549162 272000290 /nfs/dbraw/zinc/00/02/90/272000290.db2.gz YQVLZGJXTGTQEW-GUBZILKMSA-N 0 0 323.319 0.915 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000459788640 272009092 /nfs/dbraw/zinc/00/90/92/272009092.db2.gz SCDCBXINUQYHJF-HUUCEWRRSA-N 0 0 320.389 0.235 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C)C1 ZINC000459840983 272015263 /nfs/dbraw/zinc/01/52/63/272015263.db2.gz YLNFWGQTYQEUGV-OLZOCXBDSA-N 0 0 309.410 0.905 10 0 DCAERN COC(=O)CCN1CCN(C(=O)N[C@@H](C)[C@H](C)OC)[C@H](C)C1 ZINC000466488585 272026999 /nfs/dbraw/zinc/02/69/99/272026999.db2.gz LYPPKVOKHOMCPF-AGIUHOORSA-N 0 0 315.414 0.689 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N(CCO)CCO)cc21 ZINC000489602975 272063696 /nfs/dbraw/zinc/06/36/96/272063696.db2.gz HFANURLXSLEPMK-UHFFFAOYSA-N 0 0 305.334 0.357 10 0 DCAERN CSC[C@H](O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000493108641 272169119 /nfs/dbraw/zinc/16/91/19/272169119.db2.gz WUGOTWAJNAXHGH-GFCCVEGCSA-N 0 0 305.407 0.880 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC2(CO)CCC2)c1 ZINC000494241569 272215400 /nfs/dbraw/zinc/21/54/00/272215400.db2.gz MOVYZFFWLXHORJ-UHFFFAOYSA-N 0 0 313.379 0.631 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)COC ZINC000495185984 272241431 /nfs/dbraw/zinc/24/14/31/272241431.db2.gz ATTCZJYVQUPCSW-AXFHLTTASA-N 0 0 317.386 0.024 10 0 DCAERN CC[C@H](C(=O)N1CCOCC1)N1C(=O)N[C@@H](CC2CC2)C1=O ZINC000521959969 272541841 /nfs/dbraw/zinc/54/18/41/272541841.db2.gz MYFAOXOAMJJCKW-NWDGAFQWSA-N 0 0 309.366 0.344 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3oc(C)nc3C)CC2)[nH]1 ZINC000531062957 272754629 /nfs/dbraw/zinc/75/46/29/272754629.db2.gz DMEPMRXMAAVDAO-UHFFFAOYSA-N 0 0 304.354 0.676 10 0 DCAERN COc1ccc2cc(C(=O)N(C)Cc3nnnn3C)[nH]c2c1 ZINC000531821396 272770015 /nfs/dbraw/zinc/77/00/15/272770015.db2.gz HOMBJQXYCOKJDM-UHFFFAOYSA-N 0 0 300.322 0.972 10 0 DCAERN Cc1ccccc1-n1cc(C(=O)N[C@H]2CCC(=O)NC2=O)cn1 ZINC000153376586 274805050 /nfs/dbraw/zinc/80/50/50/274805050.db2.gz YNNCXHPJUIPZJY-LBPRGKRZSA-N 0 0 312.329 0.716 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)NCC1(CO)COC1 ZINC000533477457 287790239 /nfs/dbraw/zinc/79/02/39/287790239.db2.gz GJJFFZCWKWMZRE-UHFFFAOYSA-N 0 0 302.334 0.070 10 0 DCAERN COC(=O)c1cc(F)ccc1NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000534225739 287806383 /nfs/dbraw/zinc/80/63/83/287806383.db2.gz YZNKVFRHKWUXAM-VIFPVBQESA-N 0 0 324.312 0.887 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)Nc2c[nH]c(=O)c(C)c2)cn1C ZINC000534498990 287816762 /nfs/dbraw/zinc/81/67/62/287816762.db2.gz SQRYINQUVDWBQW-UHFFFAOYSA-N 0 0 324.362 0.595 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)ccc1C ZINC000536525646 287855386 /nfs/dbraw/zinc/85/53/86/287855386.db2.gz SXVJKUCJMUSLPR-LBPRGKRZSA-N 0 0 304.350 0.836 10 0 DCAERN CCC(CO)(CO)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000536653925 287860635 /nfs/dbraw/zinc/86/06/35/287860635.db2.gz JSPSNFPROISKLQ-UHFFFAOYSA-N 0 0 323.393 0.778 10 0 DCAERN CN1CCN(C[C@@H](O)COC[C@@H]2CCCO2)c2cccnc21 ZINC000540865145 287906481 /nfs/dbraw/zinc/90/64/81/287906481.db2.gz CGZKZZFDEOSHOX-KGLIPLIRSA-N 0 0 307.394 0.894 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc3ncnn32)C(C)(C)C1 ZINC000541528767 287921321 /nfs/dbraw/zinc/92/13/21/287921321.db2.gz KTJDPKRFIIQVNO-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN CN1C(=O)C[C@H](N2CCn3c(nnc3-c3ccccc3)C2)C1=O ZINC000174899230 276878776 /nfs/dbraw/zinc/87/87/76/276878776.db2.gz WIBLFQVMUHOEDA-LBPRGKRZSA-N 0 0 311.345 0.518 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)C1 ZINC000176934797 277001254 /nfs/dbraw/zinc/00/12/54/277001254.db2.gz XAAXWONVYTYZEZ-HUUCEWRRSA-N 0 0 309.410 0.178 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2cc(F)ccc2F)CCC1=O ZINC000120510224 277202695 /nfs/dbraw/zinc/20/26/95/277202695.db2.gz XLEVGTWZKUTLFH-SECBINFHSA-N 0 0 311.288 0.640 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)N(C)C1 ZINC000408035623 277346920 /nfs/dbraw/zinc/34/69/20/277346920.db2.gz NCMXGBWOXBOJTO-XUXIUFHCSA-N 0 0 311.426 0.611 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@]1(O)CCCN(C(C)=O)C1 ZINC000286897797 277956023 /nfs/dbraw/zinc/95/60/23/277956023.db2.gz YXZROBRQLUILJJ-KRWDZBQOSA-N 0 0 318.373 0.958 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408075261 277995307 /nfs/dbraw/zinc/99/53/07/277995307.db2.gz XMOXVHGKRJKPGD-PWSUYJOCSA-N 0 0 302.396 0.033 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000162553592 278043745 /nfs/dbraw/zinc/04/37/45/278043745.db2.gz WOXIQTHSXHTLBT-STQMWFEESA-N 0 0 318.416 0.742 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CC1CCC1)[C@H](C)CO ZINC000332045112 278061348 /nfs/dbraw/zinc/06/13/48/278061348.db2.gz RSMVXDOVHLOASZ-ZWNOBZJWSA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376214044 278062263 /nfs/dbraw/zinc/06/22/63/278062263.db2.gz ULHGXQNMUVCQLK-JHJVBQTASA-N 0 0 314.407 0.314 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)n1 ZINC000545983423 288009300 /nfs/dbraw/zinc/00/93/00/288009300.db2.gz GDPKUYVKGRIYQN-ZDUSSCGKSA-N 0 0 311.363 0.408 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248856398 278090596 /nfs/dbraw/zinc/09/05/96/278090596.db2.gz RFJSWQJVPLOZSV-MGPQQGTHSA-N 0 0 307.394 0.864 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000126408069 278095899 /nfs/dbraw/zinc/09/58/99/278095899.db2.gz WONVKNWIPRLPRJ-UHFFFAOYSA-N 0 0 307.394 0.180 10 0 DCAERN O=C(Nc1nc2c(s1)CCC2)N[C@H]1CCCN(CCO)C1=O ZINC000546033671 288013833 /nfs/dbraw/zinc/01/38/33/288013833.db2.gz GEVJVXNBIVUALZ-JTQLQIEISA-N 0 0 324.406 0.737 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCS1(=O)=O ZINC000121622281 288020730 /nfs/dbraw/zinc/02/07/30/288020730.db2.gz NJSNOTWLAJHKAS-SNVBAGLBSA-N 0 0 324.402 0.513 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)c1cccc2ncnn21 ZINC000546704698 288027519 /nfs/dbraw/zinc/02/75/19/288027519.db2.gz IMMRGAYVGRHUSC-UHFFFAOYSA-N 0 0 311.349 0.977 10 0 DCAERN CC1(C)C[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000333559390 278360178 /nfs/dbraw/zinc/36/01/78/278360178.db2.gz WARZTXDZDKPVQC-RWMBFGLXSA-N 0 0 323.397 0.722 10 0 DCAERN CC(C)(C)OC(=O)C(=O)O[C@H]1N(C(=O)[O-])CC12CC[NH2+]CC2 ZINC000085346372 278370915 /nfs/dbraw/zinc/37/09/15/278370915.db2.gz KQAMCTRFUKFOIG-LLVKDONJSA-N 0 0 314.338 0.561 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCN(C3CCC3)CC2)C[C@H](C)O1 ZINC000172105497 278438502 /nfs/dbraw/zinc/43/85/02/278438502.db2.gz JCHFRCJOWZYGEO-STQMWFEESA-N 0 0 317.455 0.511 10 0 DCAERN O=C(Nc1ccc2c(c1)COC2)N[C@H]1CCCN(CCO)C1=O ZINC000547450403 288047665 /nfs/dbraw/zinc/04/76/65/288047665.db2.gz UZNGCZLMIWUUAR-AWEZNQCLSA-N 0 0 319.361 0.822 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccn(Cc2ccccc2)n1 ZINC000547481869 288051227 /nfs/dbraw/zinc/05/12/27/288051227.db2.gz LOMLKZSKPFBFLK-UHFFFAOYSA-N 0 0 311.349 0.727 10 0 DCAERN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(C)Cc1nnnn1C ZINC000547491624 288052719 /nfs/dbraw/zinc/05/27/19/288052719.db2.gz GLDJJTHTSGPKKK-NWDGAFQWSA-N 0 0 310.402 0.945 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)Cc2cncn2C)(C(=O)OC)C1(C)C ZINC000547728975 288073320 /nfs/dbraw/zinc/07/33/20/288073320.db2.gz MICVPVXPTLALSS-WBMJQRKESA-N 0 0 323.393 0.826 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)C1 ZINC000547809483 288081718 /nfs/dbraw/zinc/08/17/18/288081718.db2.gz DGGRSWPMFUFSAQ-SNVBAGLBSA-N 0 0 315.333 0.376 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H](C)C2 ZINC000183173705 278889987 /nfs/dbraw/zinc/88/99/87/278889987.db2.gz MFTBITKITUIINR-PRHODGIISA-N 0 0 314.345 0.617 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000548064362 288108465 /nfs/dbraw/zinc/10/84/65/288108465.db2.gz DOWGQZFUDMDWCV-VBQJREDUSA-N 0 0 320.389 0.673 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[C@H](OC)C3)CCN2C1=O ZINC000376997112 279250105 /nfs/dbraw/zinc/25/01/05/279250105.db2.gz KHDKDHNBSJQSIM-WOPDTQHZSA-N 0 0 324.381 0.232 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)C1 ZINC000192157983 279293938 /nfs/dbraw/zinc/29/39/38/279293938.db2.gz JGJPTRBSWFIANI-CHWSQXEVSA-N 0 0 317.455 0.547 10 0 DCAERN CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)CC1CC1 ZINC000408163338 279349055 /nfs/dbraw/zinc/34/90/55/279349055.db2.gz CJFVZAKZZVNCKE-LLVKDONJSA-N 0 0 306.453 0.968 10 0 DCAERN Nc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc(Cl)n1 ZINC000062985012 279695823 /nfs/dbraw/zinc/69/58/23/279695823.db2.gz UPQAYMNMDORMPR-NSHDSACASA-N 0 0 310.785 0.864 10 0 DCAERN COC(=O)[C@@H](NC(=O)CN1CCOCC1=O)C1CCCCC1 ZINC000548716262 288169803 /nfs/dbraw/zinc/16/98/03/288169803.db2.gz MKDDSEUJYYCGSW-AWEZNQCLSA-N 0 0 312.366 0.083 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000548747357 288172933 /nfs/dbraw/zinc/17/29/33/288172933.db2.gz ACZWNEKZDORKGS-UHFFFAOYSA-N 0 0 317.345 0.849 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1cccc(-n2cnnn2)c1 ZINC000177574038 279894655 /nfs/dbraw/zinc/89/46/55/279894655.db2.gz NKHFLVGAVAZULG-GFCCVEGCSA-N 0 0 310.321 0.519 10 0 DCAERN Cc1nnc([C@H]2CCCN(C(=O)COc3cnn(C)c3)C2)[nH]1 ZINC000548803576 288177742 /nfs/dbraw/zinc/17/77/42/288177742.db2.gz HPPIECXNXKDKDM-NSHDSACASA-N 0 0 304.354 0.632 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)NC2(C(F)F)CC2)s1 ZINC000548819676 288179372 /nfs/dbraw/zinc/17/93/72/288179372.db2.gz HNXYMGVDRFIAFY-UHFFFAOYSA-N 0 0 310.347 0.852 10 0 DCAERN Cn1cc(OCC(=O)NCc2cnn(CC(F)(F)F)c2)cn1 ZINC000548828238 288180570 /nfs/dbraw/zinc/18/05/70/288180570.db2.gz OTHVDZGCXTXAEG-UHFFFAOYSA-N 0 0 317.271 0.874 10 0 DCAERN Cc1ccccc1Cc1nnc(N(C)Cc2nnnn2C)n1C ZINC000548839935 288181308 /nfs/dbraw/zinc/18/13/08/288181308.db2.gz MMLQMZBPKSNLLT-UHFFFAOYSA-N 0 0 312.381 0.874 10 0 DCAERN CCn1ncnc1CNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000549050976 288190817 /nfs/dbraw/zinc/19/08/17/288190817.db2.gz JJKJJXYBXVBTSS-LLVKDONJSA-N 0 0 303.370 0.908 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1c1ncnc2[nH]ccc21)N1CCOCC1 ZINC000299743675 280108772 /nfs/dbraw/zinc/10/87/72/280108772.db2.gz OOTQRYVYPDMSIR-PWSUYJOCSA-N 0 0 319.340 0.734 10 0 DCAERN C[C@@H]1CN([C@H]2CCc3ccccc3NC2=O)C[C@H](C(N)=O)O1 ZINC000248905762 288254469 /nfs/dbraw/zinc/25/44/69/288254469.db2.gz WMLGOPPWESENIC-DDTOSNHZSA-N 0 0 303.362 0.515 10 0 DCAERN CCN1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000553040316 288284925 /nfs/dbraw/zinc/28/49/25/288284925.db2.gz ZJFROGYHDMXGOE-UHFFFAOYSA-N 0 0 301.350 0.437 10 0 DCAERN CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553049647 288285226 /nfs/dbraw/zinc/28/52/26/288285226.db2.gz FQTQTQLUAWGNRV-UHFFFAOYSA-N 0 0 318.333 0.731 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000553426238 288298992 /nfs/dbraw/zinc/29/89/92/288298992.db2.gz AEVJJMNIBXJQAE-LLVKDONJSA-N 0 0 302.334 0.961 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1C[C@H](C)O ZINC000408317137 281172375 /nfs/dbraw/zinc/17/23/75/281172375.db2.gz VOKBLGBWSRNQSU-UWVGGRQHSA-N 0 0 318.361 0.656 10 0 DCAERN CN(CCC(N)=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000554172743 288314471 /nfs/dbraw/zinc/31/44/71/288314471.db2.gz XCEFWUBQTSKSEL-UHFFFAOYSA-N 0 0 306.366 0.862 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)C1(O)Cc2ccccc2C1 ZINC000374706074 281378648 /nfs/dbraw/zinc/37/86/48/281378648.db2.gz TULLNMJMEGAGIY-ZDUSSCGKSA-N 0 0 302.374 0.690 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@]12CCCO2 ZINC000554528587 288326143 /nfs/dbraw/zinc/32/61/43/288326143.db2.gz BQFIVGSEAWEFKJ-NFAWXSAZSA-N 0 0 309.366 0.642 10 0 DCAERN Cc1cc(N2CCC(NC(=O)COc3cnn(C)c3)CC2)n[nH]1 ZINC000554582166 288331130 /nfs/dbraw/zinc/33/11/30/288331130.db2.gz XPEYBRJYTKKOES-UHFFFAOYSA-N 0 0 318.381 0.616 10 0 DCAERN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000555677435 288359885 /nfs/dbraw/zinc/35/98/85/288359885.db2.gz XLPBXDVOBSCPFA-BDAKNGLRSA-N 0 0 307.803 0.855 10 0 DCAERN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)C2CC2)CC1 ZINC000556696782 288384931 /nfs/dbraw/zinc/38/49/31/288384931.db2.gz VENZPCIRWYAWGB-LLVKDONJSA-N 0 0 318.443 0.355 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000558675608 288454860 /nfs/dbraw/zinc/45/48/60/288454860.db2.gz KNVHKWUTRNEJBB-INIZCTEOSA-N 0 0 312.377 0.984 10 0 DCAERN O=C(NCCOC[C@@H]1CCCO1)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000560765385 288518524 /nfs/dbraw/zinc/51/85/24/288518524.db2.gz SLCDYHPYXVELJY-KFWWJZLASA-N 0 0 324.421 0.947 10 0 DCAERN c1cnn(Cc2noc(-c3cn(C4CCOCC4)nn3)n2)c1 ZINC000562106241 288557482 /nfs/dbraw/zinc/55/74/82/288557482.db2.gz WJSFYDBFXNRCSN-UHFFFAOYSA-N 0 0 301.310 0.924 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC(c3nc(C)no3)C2)C1 ZINC000562447046 288576955 /nfs/dbraw/zinc/57/69/55/288576955.db2.gz ZQOOLGQJYKYRET-LLVKDONJSA-N 0 0 322.369 0.291 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCCN(C)C2=O)no1 ZINC000562520525 288581556 /nfs/dbraw/zinc/58/15/56/288581556.db2.gz FOMCELBDJUWSTP-SECBINFHSA-N 0 0 309.370 0.787 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408054342 288648981 /nfs/dbraw/zinc/64/89/81/288648981.db2.gz ZHMIZYYTOPJYSI-GLQYFDAESA-N 0 0 307.394 0.985 10 0 DCAERN Cc1cc(C(=O)N[C@@]2(C(N)=O)CCOC2)ccc1-n1cccn1 ZINC000563404417 288670421 /nfs/dbraw/zinc/67/04/21/288670421.db2.gz DEEHAJBSOIOADL-INIZCTEOSA-N 0 0 314.345 0.555 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CN2C(=O)CN(C3CCC3)C2=O)C1 ZINC000564519932 288747866 /nfs/dbraw/zinc/74/78/66/288747866.db2.gz QNFJSHZOQSYOKS-SNVBAGLBSA-N 0 0 315.395 0.085 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000565928655 288888143 /nfs/dbraw/zinc/88/81/43/288888143.db2.gz PLGCBJGBQUFHDN-NWDGAFQWSA-N 0 0 316.404 0.411 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2CCCC[C@H]2CC(N)=O)CC1 ZINC000119873381 288975449 /nfs/dbraw/zinc/97/54/49/288975449.db2.gz WOSRELDDYGRJPF-ZDUSSCGKSA-N 0 0 324.425 0.637 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000407960911 289003215 /nfs/dbraw/zinc/00/32/15/289003215.db2.gz YPUWFTMNQOFPAX-BFQNTYOBSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC000329503528 289047159 /nfs/dbraw/zinc/04/71/59/289047159.db2.gz AQYSDPQKAUPZGR-QLFBSQMISA-N 0 0 318.421 0.767 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC000330211468 289047896 /nfs/dbraw/zinc/04/78/96/289047896.db2.gz CZIYJRZNWYJSJD-ZYHUDNBSSA-N 0 0 316.365 0.288 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333104725 297060470 /nfs/dbraw/zinc/06/04/70/297060470.db2.gz CXDLYOTYGULKNQ-FVCCEPFGSA-N 0 0 321.464 0.871 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000373503959 299862330 /nfs/dbraw/zinc/86/23/30/299862330.db2.gz HIVDCAMORHBSPQ-FZMZJTMJSA-N 0 0 323.418 0.800 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000377048430 294648505 /nfs/dbraw/zinc/64/85/05/294648505.db2.gz SDMINHOHPJQKJH-WUHRBBMRSA-N 0 0 318.439 0.730 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000371942134 294867553 /nfs/dbraw/zinc/86/75/53/294867553.db2.gz IAHFIEDNVFNVMH-DZHLUBAWSA-N 0 0 313.398 0.474 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)NCCC(N)=O)C1 ZINC000177330180 295368616 /nfs/dbraw/zinc/36/86/16/295368616.db2.gz YZALKMKYQUOQRB-LLVKDONJSA-N 0 0 306.366 0.449 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 ZINC000373055024 297122653 /nfs/dbraw/zinc/12/26/53/297122653.db2.gz HMIMFYDSAMPOFO-KCXAZCMYSA-N 0 0 318.373 0.832 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000408194636 297291773 /nfs/dbraw/zinc/29/17/73/297291773.db2.gz ZFBZNTGPEUOCJH-GRYCIOLGSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329552049 297807284 /nfs/dbraw/zinc/80/72/84/297807284.db2.gz GAVGQTSXBAVOLP-LPWJVIDDSA-N 0 0 311.382 0.391 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[S@@](=O)[C@@H](C)C1 ZINC000408212186 298120995 /nfs/dbraw/zinc/12/09/95/298120995.db2.gz UYVFJBQSUQANTD-DCLVOVMVSA-N 0 0 303.428 0.452 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247208359 298147859 /nfs/dbraw/zinc/14/78/59/298147859.db2.gz UZTAUMJQGHALPV-GHMZBOCLSA-N 0 0 309.332 0.460 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160640 298189681 /nfs/dbraw/zinc/18/96/81/298189681.db2.gz LKRCKDBGWMRKJZ-KWCYVHTRSA-N 0 0 310.419 0.981 10 0 DCAERN O=C1C[C@H](C(F)(F)F)N(S(=O)(=O)c2cccnc2)CCN1 ZINC000180721726 304647674 /nfs/dbraw/zinc/64/76/74/304647674.db2.gz WKTOVULRGFZCQI-SECBINFHSA-N 0 0 323.296 0.523 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)C[C@H](C)O1 ZINC000329503508 300290441 /nfs/dbraw/zinc/29/04/41/300290441.db2.gz AQOFTGAXOHEOKN-UWVGGRQHSA-N 0 0 301.368 0.464 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@](F)(CO)C1)CS2 ZINC000376409257 300860436 /nfs/dbraw/zinc/86/04/36/300860436.db2.gz RISKLBIJMGHVJH-DDTOSNHZSA-N 0 0 316.398 0.763 10 0 DCAERN C[S@@](=O)CCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189031357 300880026 /nfs/dbraw/zinc/88/00/26/300880026.db2.gz NNLZJAPEOOKNAX-OAQYLSRUSA-N 0 0 304.375 0.942 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)nc(C(F)(F)F)n1 ZINC000187490140 301106395 /nfs/dbraw/zinc/10/63/95/301106395.db2.gz GHCNLAMUFRSWGS-QMMMGPOBSA-N 0 0 318.255 0.130 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(CC(C)(C)O)CC2)n1 ZINC000106400140 301251013 /nfs/dbraw/zinc/25/10/13/301251013.db2.gz CRMAXKAAXKLZAJ-CQSZACIVSA-N 0 0 308.426 0.976 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000377684518 301396493 /nfs/dbraw/zinc/39/64/93/301396493.db2.gz WVHQKLWRLYIWCW-NWDGAFQWSA-N 0 0 300.380 0.600 10 0 DCAERN O=S(=O)(N1CCO[C@@]2(CCOC2)C1)N1CCCCCC1 ZINC000184301370 304756677 /nfs/dbraw/zinc/75/66/77/304756677.db2.gz DEAREMOLZQPHPY-ZDUSSCGKSA-N 0 0 304.412 0.599 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1C(N)=O ZINC000408353179 303049295 /nfs/dbraw/zinc/04/92/95/303049295.db2.gz YTLZVDSSVDKEFY-MRVPVSSYSA-N 0 0 306.775 0.102 10 0 DCAERN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000123858712 303324362 /nfs/dbraw/zinc/32/43/62/303324362.db2.gz RNHPMLUHCWLORF-STQMWFEESA-N 0 0 324.425 0.732 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CCS1(=O)=O ZINC000332902532 332901250 /nfs/dbraw/zinc/90/12/50/332901250.db2.gz OXGWBWMUPMDEEQ-NWDGAFQWSA-N 0 0 316.423 0.917 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)CCNS(C)(=O)=O ZINC000170952466 332907131 /nfs/dbraw/zinc/90/71/31/332907131.db2.gz FSQRTFUKIGCZLX-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@@H](C)[C@@H](C)OC)c1 ZINC000570235383 332728541 /nfs/dbraw/zinc/72/85/41/332728541.db2.gz BMWYBIMVNSBIHJ-DTWKUNHWSA-N 0 0 302.352 0.570 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000187270637 332964949 /nfs/dbraw/zinc/96/49/49/332964949.db2.gz QTODHVNKAPSSJB-JTQLQIEISA-N 0 0 307.354 0.674 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000382179615 333215653 /nfs/dbraw/zinc/21/56/53/333215653.db2.gz LLISQBAVUCHFFK-SECBINFHSA-N 0 0 304.334 0.962 10 0 DCAERN Cn1ncnc1-c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 ZINC000190684144 336265503 /nfs/dbraw/zinc/26/55/03/336265503.db2.gz SIOAVPHVIBGPMB-AWEZNQCLSA-N 0 0 318.377 0.554 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000582462683 337092843 /nfs/dbraw/zinc/09/28/43/337092843.db2.gz LBBDFFVRUIJNDP-AGGWBTHJSA-N 0 0 322.409 0.165 10 0 DCAERN OCc1nnn(Cc2cccnc2)c1I ZINC000584613134 337372583 /nfs/dbraw/zinc/37/25/83/337372583.db2.gz FCKOTFBWFVBULO-UHFFFAOYSA-N 0 0 316.102 0.818 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)[C@H]1OC ZINC000333003691 341669422 /nfs/dbraw/zinc/66/94/22/341669422.db2.gz KVEMPPFYAUONJH-OKNSCYNVSA-N 0 0 323.393 0.806 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000172612800 341801718 /nfs/dbraw/zinc/80/17/18/341801718.db2.gz NEWHYNMQNZUQOR-NEPJUHHUSA-N 0 0 303.428 0.741 10 0 DCAERN CCOc1c(F)cccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000175218845 341836087 /nfs/dbraw/zinc/83/60/87/341836087.db2.gz OUKZBIHGFZDKHC-UHFFFAOYSA-N 0 0 321.308 0.874 10 0 DCAERN CN(C)C(=O)Cn1cc(NC(=O)NCCOCC2CCC2)cn1 ZINC000576323682 341840421 /nfs/dbraw/zinc/84/04/21/341840421.db2.gz LIHKVADJDGRCSW-UHFFFAOYSA-N 0 0 323.397 0.910 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000576425258 341845673 /nfs/dbraw/zinc/84/56/73/341845673.db2.gz IHDYFPHCLKBPCT-UKRRQHHQSA-N 0 0 323.437 0.613 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1C ZINC000192642608 341879094 /nfs/dbraw/zinc/87/90/94/341879094.db2.gz VCEIZENYWQJFIH-CABCVRRESA-N 0 0 320.389 0.235 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000177317020 341918580 /nfs/dbraw/zinc/91/85/80/341918580.db2.gz KYQOMMHYZUZVLF-GFCCVEGCSA-N 0 0 316.361 0.757 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000170689948 534215590 /nfs/dbraw/zinc/21/55/90/534215590.db2.gz GQEZPUIQLGXJOF-NEPJUHHUSA-N 0 0 317.393 0.803 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192028533 517478433 /nfs/dbraw/zinc/47/84/33/517478433.db2.gz NZVLVJRFSIXHCG-CMPLNLGQSA-N 0 0 308.382 0.926 10 0 DCAERN C[C@H](O)C(=O)N1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000305736433 518183611 /nfs/dbraw/zinc/18/36/11/518183611.db2.gz PUBZDMMKMHWFJY-NSHDSACASA-N 0 0 308.382 0.752 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)C[C@H](CO)O1 ZINC000191865481 534377161 /nfs/dbraw/zinc/37/71/61/534377161.db2.gz AVIUUVJIJQAASW-UTUOFQBUSA-N 0 0 311.407 0.720 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000365045363 519336033 /nfs/dbraw/zinc/33/60/33/519336033.db2.gz UIQZIEXMEODLPQ-HNNXBMFYSA-N 0 0 311.382 0.373 10 0 DCAERN CC(=O)NC1CN(C(=O)CCCNC(=O)c2ccccc2)C1 ZINC000190463686 519647814 /nfs/dbraw/zinc/64/78/14/519647814.db2.gz OOLMGIBTPVWGES-UHFFFAOYSA-N 0 0 303.362 0.544 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000190319102 519648301 /nfs/dbraw/zinc/64/83/01/519648301.db2.gz ORIYTSDGBOVXRH-NSHDSACASA-N 0 0 320.397 0.246 10 0 DCAERN CC(=O)NC1CN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000191731683 519649552 /nfs/dbraw/zinc/64/95/52/519649552.db2.gz RJFZIFOWBSXNOL-HNNXBMFYSA-N 0 0 306.362 0.449 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1=O ZINC000188854817 519687358 /nfs/dbraw/zinc/68/73/58/519687358.db2.gz RCGGGNQNIPKUKH-CYBMUJFWSA-N 0 0 322.409 0.306 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1ccccc1 ZINC000248790764 519695632 /nfs/dbraw/zinc/69/56/32/519695632.db2.gz SGQVZYHRIQIUIT-DAXOMENPSA-N 0 0 320.389 0.862 10 0 DCAERN CC(C)OC[C@H](O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105902396 519774257 /nfs/dbraw/zinc/77/42/57/519774257.db2.gz UHVGSJYVVOXVCJ-CYBMUJFWSA-N 0 0 320.397 0.032 10 0 DCAERN CC(C)[C@@H](C(=O)N1CC(CO)C1)N1C(=O)c2ccccc2C1=O ZINC000184222254 519788796 /nfs/dbraw/zinc/78/87/96/519788796.db2.gz CQZXEHHHDZHTBH-AWEZNQCLSA-N 0 0 316.357 0.758 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247133769 519866882 /nfs/dbraw/zinc/86/68/82/519866882.db2.gz QSYHJWIPMODCTF-JHJVBQTASA-N 0 0 309.410 0.938 10 0 DCAERN CCOCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111813239 519953373 /nfs/dbraw/zinc/95/33/73/519953373.db2.gz ZSFACGLGEWDUEO-CQSZACIVSA-N 0 0 310.398 0.947 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000187979393 520206930 /nfs/dbraw/zinc/20/69/30/520206930.db2.gz PZVGSHXNIFOBPC-STQMWFEESA-N 0 0 307.398 0.924 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC000248266295 520441233 /nfs/dbraw/zinc/44/12/33/520441233.db2.gz FBLCUOQVUXNOQI-NWDGAFQWSA-N 0 0 306.366 0.332 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172742156 534527303 /nfs/dbraw/zinc/52/73/03/534527303.db2.gz ZZDRVJNISXQXSN-AWEZNQCLSA-N 0 0 309.410 0.322 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)CCc1ccnn1C ZINC000122177664 521564327 /nfs/dbraw/zinc/56/43/27/521564327.db2.gz OHMLHCSFTQDJOD-UHFFFAOYSA-N 0 0 305.338 0.902 10 0 DCAERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000328637218 534600757 /nfs/dbraw/zinc/60/07/57/534600757.db2.gz OLYZKFHIQANFNU-CHWSQXEVSA-N 0 0 312.377 0.819 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@@H](C)CO)c1CC ZINC000158906437 522129340 /nfs/dbraw/zinc/12/93/40/522129340.db2.gz ALDWLHLPEUWWEJ-UWVGGRQHSA-N 0 0 310.398 0.711 10 0 DCAERN Cc1nc2c(c(N3CCN([C@@H](C)C(N)=O)CC3)n1)CCCC2 ZINC000302121612 534620823 /nfs/dbraw/zinc/62/08/23/534620823.db2.gz YFLHVAUHJBMBDA-NSHDSACASA-N 0 0 303.410 0.660 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(NC(C)=O)C1 ZINC000190245389 522509280 /nfs/dbraw/zinc/50/92/80/522509280.db2.gz HUVBTCYNNPZJAV-NSHDSACASA-N 0 0 306.370 0.205 10 0 DCAERN CN(CC1(CO)CC1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000189165117 522596403 /nfs/dbraw/zinc/59/64/03/522596403.db2.gz LBFXHGPVALLQAC-UHFFFAOYSA-N 0 0 301.346 0.627 10 0 DCAERN CN(CC1CC(O)C1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000190609661 522611628 /nfs/dbraw/zinc/61/16/28/522611628.db2.gz XIDFAKGTCRXDNO-UHFFFAOYSA-N 0 0 305.787 0.709 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000129227132 522717603 /nfs/dbraw/zinc/71/76/03/522717603.db2.gz KETOKJPIKWHTKV-GFCCVEGCSA-N 0 0 324.381 0.264 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000189200650 522756644 /nfs/dbraw/zinc/75/66/44/522756644.db2.gz AQCRYYILRXYNFP-HWKANZROSA-N 0 0 309.753 0.722 10 0 DCAERN COc1cc(S(=O)(=O)NCCCNC(C)=O)ccc1F ZINC000190501612 522897936 /nfs/dbraw/zinc/89/79/36/522897936.db2.gz DNEIMGOKYQQLMR-UHFFFAOYSA-N 0 0 304.343 0.639 10 0 DCAERN COC(=O)CC1(CC(=O)NC[C@H]2CN(C)CCO2)CCCC1 ZINC000189199545 522925422 /nfs/dbraw/zinc/92/54/22/522925422.db2.gz MJIZJNYBJRGYCS-ZDUSSCGKSA-N 0 0 312.410 0.947 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2c(C)noc2C)CC1 ZINC000184961291 522997721 /nfs/dbraw/zinc/99/77/21/522997721.db2.gz BHJRZQDOBZNXDH-CYBMUJFWSA-N 0 0 310.398 0.890 10 0 DCAERN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000130639482 523116235 /nfs/dbraw/zinc/11/62/35/523116235.db2.gz CKBHTPBKNZTMHA-ZIAGYGMSSA-N 0 0 318.373 0.803 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189176228 523183713 /nfs/dbraw/zinc/18/37/13/523183713.db2.gz ATHJLQNKQQHKEU-UHFFFAOYSA-N 0 0 316.427 0.597 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)CC2 ZINC000171342548 534700266 /nfs/dbraw/zinc/70/02/66/534700266.db2.gz JWLPGMXXSWAPCD-STQMWFEESA-N 0 0 319.409 0.665 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000192766640 523583555 /nfs/dbraw/zinc/58/35/55/523583555.db2.gz FHKXZVWAOHULIV-JQWIXIFHSA-N 0 0 308.309 0.335 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CC[C@H](O)C2)[C@H]1c1cccnc1 ZINC000191185447 523705313 /nfs/dbraw/zinc/70/53/13/523705313.db2.gz BBXCPUKXACYEJI-AOLWHUPESA-N 0 0 317.389 0.878 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@H](O)C2CC2)[C@H]1c1cccnc1 ZINC000268427835 523705918 /nfs/dbraw/zinc/70/59/18/523705918.db2.gz RMOCVXVOPTVBEF-KCQAQPDRSA-N 0 0 303.362 0.488 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1C ZINC000248992872 523711352 /nfs/dbraw/zinc/71/13/52/523711352.db2.gz YRDUDICGDOEGIZ-OWXSUUJWSA-N 0 0 304.412 0.594 10 0 DCAERN CN1C(=O)N[C@@]2(CCN(C(=O)C[C@@H](O)CC(C)(C)C)C2)C1=O ZINC000365958823 523719688 /nfs/dbraw/zinc/71/96/88/523719688.db2.gz AEBJFXOQPJWAET-MEBBXXQBSA-N 0 0 311.382 0.326 10 0 DCAERN CCn1nccc1S(=O)(=O)N[C@@H]1CCN(c2ccn(C)n2)C1 ZINC000364204044 523744882 /nfs/dbraw/zinc/74/48/82/523744882.db2.gz USUGQQAACYJUKR-LLVKDONJSA-N 0 0 324.410 0.194 10 0 DCAERN CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)[C@@H]1CCOC1 ZINC000161872885 523922931 /nfs/dbraw/zinc/92/29/31/523922931.db2.gz CFJYHIJSOOSMNZ-MRVPVSSYSA-N 0 0 302.327 0.334 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124874108 523938911 /nfs/dbraw/zinc/93/89/11/523938911.db2.gz KDAAHRXEQQKYEV-AWEZNQCLSA-N 0 0 301.350 0.328 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157463472 523983717 /nfs/dbraw/zinc/98/37/17/523983717.db2.gz AGLMIXCEFYTYST-UHFFFAOYSA-N 0 0 304.393 0.312 10 0 DCAERN CN(C)C(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000122513326 523993464 /nfs/dbraw/zinc/99/34/64/523993464.db2.gz NTPDMEJGDZJEPW-UHFFFAOYSA-N 0 0 311.285 0.467 10 0 DCAERN CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000132031185 524028139 /nfs/dbraw/zinc/02/81/39/524028139.db2.gz RHPBBAHBNZTPTC-CYBMUJFWSA-N 0 0 303.362 0.183 10 0 DCAERN CNC(=O)CCCN(C)C(=O)NCCNC(=O)c1ccccc1 ZINC000163470175 524062349 /nfs/dbraw/zinc/06/23/49/524062349.db2.gz IMJDUMJLSVIBJW-UHFFFAOYSA-N 0 0 320.393 0.584 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)cn1 ZINC000190355096 524076304 /nfs/dbraw/zinc/07/63/04/524076304.db2.gz GGRFCYYVWFTWRE-JQWIXIFHSA-N 0 0 309.370 0.518 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1C ZINC000166737998 524082169 /nfs/dbraw/zinc/08/21/69/524082169.db2.gz QSLOTOWUAPNSCZ-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCNC(=O)CC1 ZINC000299287629 534757146 /nfs/dbraw/zinc/75/71/46/534757146.db2.gz GWLIZYBLHKUXIG-GFCCVEGCSA-N 0 0 319.361 0.623 10 0 DCAERN Cc1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1F ZINC000268470952 524181018 /nfs/dbraw/zinc/18/10/18/524181018.db2.gz HHKMXTUAUCBBNR-SNVBAGLBSA-N 0 0 300.355 0.898 10 0 DCAERN C[C@H](CNC(=O)Nc1ccc(C(N)=O)nc1)Cn1cccn1 ZINC000159061083 524431521 /nfs/dbraw/zinc/43/15/21/524431521.db2.gz SMPNVXGEBSCNMW-SNVBAGLBSA-N 0 0 302.338 0.835 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCc2ccnn2C)c(C)n1 ZINC000126801770 524464418 /nfs/dbraw/zinc/46/44/18/524464418.db2.gz CXABZAGDSQILOQ-UHFFFAOYSA-N 0 0 303.322 0.387 10 0 DCAERN COc1ccccc1COC[C@H](O)CN1CC(NC(C)=O)C1 ZINC000191731322 524494923 /nfs/dbraw/zinc/49/49/23/524494923.db2.gz RQQDAHPCTQYNJT-OAHLLOKOSA-N 0 0 308.378 0.393 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)COC(C)C)CCO2)n1 ZINC000105904040 524535901 /nfs/dbraw/zinc/53/59/01/524535901.db2.gz UEABOIAKWCWSGY-JKSUJKDBSA-N 0 0 311.426 0.987 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC000188569186 524574922 /nfs/dbraw/zinc/57/49/22/524574922.db2.gz YFCYOWFFHHPHEE-AWEZNQCLSA-N 0 0 317.389 0.868 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COc2ccccc2F)CCS1(=O)=O ZINC000247449503 524603033 /nfs/dbraw/zinc/60/30/33/524603033.db2.gz YUYJKZMEMIFHTQ-NWDGAFQWSA-N 0 0 317.382 0.684 10 0 DCAERN C[C@@H](CN1CCNC(=O)[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000246432121 524620173 /nfs/dbraw/zinc/62/01/73/524620173.db2.gz CSMLISYYEFHKFB-GXTWGEPZSA-N 0 0 310.419 0.840 10 0 DCAERN Cc1ccc(CS(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1F ZINC000184235296 524634318 /nfs/dbraw/zinc/63/43/18/524634318.db2.gz GNEKFKAZOKPWOT-LBPRGKRZSA-N 0 0 316.354 0.150 10 0 DCAERN C[C@H]1CN(Cc2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000133409897 524651523 /nfs/dbraw/zinc/65/15/23/524651523.db2.gz YZNXEECOUVWMCJ-LBPRGKRZSA-N 0 0 306.391 0.886 10 0 DCAERN C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@@H]1N1CCOCC1 ZINC000246916474 524787276 /nfs/dbraw/zinc/78/72/76/524787276.db2.gz IPFBGEVGOFPSER-ILXRZTDVSA-N 0 0 312.410 0.219 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189252410 524849027 /nfs/dbraw/zinc/84/90/27/524849027.db2.gz OWGMLAJJCNQERN-GWCFXTLKSA-N 0 0 312.391 0.660 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc1 ZINC000157693249 524938916 /nfs/dbraw/zinc/93/89/16/524938916.db2.gz QYLIHGUESVPKKL-CYBMUJFWSA-N 0 0 316.405 0.953 10 0 DCAERN CS(=O)(=O)N1CCCc2cc(C(=O)N3CC(CO)C3)ccc21 ZINC000184218830 525172401 /nfs/dbraw/zinc/17/24/01/525172401.db2.gz CEMMJLGYUHVXMZ-UHFFFAOYSA-N 0 0 324.402 0.463 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCC(=O)N2CCCC2)c1 ZINC000158166816 525282144 /nfs/dbraw/zinc/28/21/44/525282144.db2.gz AQJUOUMDHZTXNY-UHFFFAOYSA-N 0 0 316.404 0.504 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130477588 525448028 /nfs/dbraw/zinc/44/80/28/525448028.db2.gz YXCJKQJIGGVQNQ-UWVGGRQHSA-N 0 0 304.350 0.509 10 0 DCAERN COc1ccc2[nH]c(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2c1 ZINC000188470902 525479927 /nfs/dbraw/zinc/47/99/27/525479927.db2.gz SKQOCNOUNLNBIA-LLVKDONJSA-N 0 0 301.302 0.712 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000159201747 525548706 /nfs/dbraw/zinc/54/87/06/525548706.db2.gz ARVUZZIOJUCXFA-VIFPVBQESA-N 0 0 309.434 0.864 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000134272711 525591569 /nfs/dbraw/zinc/59/15/69/525591569.db2.gz KSYLRLDNKORFSD-WRWORJQWSA-N 0 0 302.327 0.380 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2ncncc2Br)CC1 ZINC000270838758 525739885 /nfs/dbraw/zinc/73/98/85/525739885.db2.gz VTTRDUYUYDQPAT-MRVPVSSYSA-N 0 0 315.171 0.269 10 0 DCAERN C[C@H](O)[C@@](C)(CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 ZINC000192031955 525839179 /nfs/dbraw/zinc/83/91/79/525839179.db2.gz KFUMTJVKLRNKBG-DXCKQFNASA-N 0 0 304.390 0.869 10 0 DCAERN Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000186196028 525904794 /nfs/dbraw/zinc/90/47/94/525904794.db2.gz INXVSWHMJQMMBS-GFCCVEGCSA-N 0 0 312.329 0.716 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ccnn1C ZINC000124441544 526021135 /nfs/dbraw/zinc/02/11/35/526021135.db2.gz IVRWNEMTFIWGCE-GHMZBOCLSA-N 0 0 301.412 0.633 10 0 DCAERN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CC(CO)C1)C2=O ZINC000122543603 526142360 /nfs/dbraw/zinc/14/23/60/526142360.db2.gz JNCRWTTXEPZONH-SNVBAGLBSA-N 0 0 302.330 0.430 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3snnc3C)CCO2)c1 ZINC000190522979 526264988 /nfs/dbraw/zinc/26/49/88/526264988.db2.gz LRASLCAKRGRTNC-LLVKDONJSA-N 0 0 307.379 0.893 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)C2)c1 ZINC000267527393 526266266 /nfs/dbraw/zinc/26/62/66/526266266.db2.gz XVHOTDFJUHLPBO-CHWSQXEVSA-N 0 0 305.382 0.769 10 0 DCAERN O=C(NCC[S@](=O)Cc1ccccc1)N1CCNC(=O)CC1 ZINC000120445567 526390820 /nfs/dbraw/zinc/39/08/20/526390820.db2.gz PTPKWPRFYRDQIW-JOCHJYFZSA-N 0 0 323.418 0.467 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)[nH]1 ZINC000156528672 526534732 /nfs/dbraw/zinc/53/47/32/526534732.db2.gz DRXHFVKUQBZRMZ-JTQLQIEISA-N 0 0 318.337 0.027 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000330915505 526572958 /nfs/dbraw/zinc/57/29/58/526572958.db2.gz JWVTZYCAUZXDKG-LLVKDONJSA-N 0 0 304.412 0.327 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)n1 ZINC000128852123 526651681 /nfs/dbraw/zinc/65/16/81/526651681.db2.gz FTLONTIAJSBHES-NEPJUHHUSA-N 0 0 321.381 0.888 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cnc(N(C)C)n1C ZINC000330761938 526680693 /nfs/dbraw/zinc/68/06/93/526680693.db2.gz HKFQMEJOJCWHBT-NSHDSACASA-N 0 0 311.411 0.024 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCO[C@@]3(CCOC3)C2)c1C ZINC000186059067 526866655 /nfs/dbraw/zinc/86/66/55/526866655.db2.gz NSXRMZKAGLUMKT-AWEZNQCLSA-N 0 0 312.391 0.545 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190316253 526981657 /nfs/dbraw/zinc/98/16/57/526981657.db2.gz NUKISLXBSOECKD-AWEZNQCLSA-N 0 0 322.315 0.837 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cnc(Cl)cn1 ZINC000365503568 527045389 /nfs/dbraw/zinc/04/53/89/527045389.db2.gz HHVPCENFFVQPLE-JTQLQIEISA-N 0 0 324.768 0.640 10 0 DCAERN Cc1nc([C@@H]2CCCN2CC(=O)N2CCNC(=O)C2)cs1 ZINC000189783375 527051127 /nfs/dbraw/zinc/05/11/27/527051127.db2.gz QLKZBTWPAVNDPY-LBPRGKRZSA-N 0 0 308.407 0.547 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000112651485 527073180 /nfs/dbraw/zinc/07/31/80/527073180.db2.gz XJQBHANXKVKIDU-LBPRGKRZSA-N 0 0 311.345 0.908 10 0 DCAERN O=Cc1cccc(OCC(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000160449581 527152086 /nfs/dbraw/zinc/15/20/86/527152086.db2.gz LKPQHOKOYBFRHK-MRXNPFEDSA-N 0 0 318.373 0.857 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000174780524 527473890 /nfs/dbraw/zinc/47/38/90/527473890.db2.gz FHALYHJATNTJDA-CHWSQXEVSA-N 0 0 309.410 0.747 10 0 DCAERN Cn1nnnc1N1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000369442218 527657297 /nfs/dbraw/zinc/65/72/97/527657297.db2.gz XONFAJPNQWANAB-LBPRGKRZSA-N 0 0 314.349 0.035 10 0 DCAERN CC(C)(C)CS(=O)(=O)N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299743296 527690001 /nfs/dbraw/zinc/69/00/01/527690001.db2.gz NBFIRRWHWUJBIO-HTQZYQBOSA-N 0 0 316.345 0.958 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000184506535 528243672 /nfs/dbraw/zinc/24/36/72/528243672.db2.gz WUVNMNMCXLXKHT-CQSZACIVSA-N 0 0 323.437 0.962 10 0 DCAERN CC1(C)CCC(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000175108309 528906286 /nfs/dbraw/zinc/90/62/86/528906286.db2.gz JTOYTKQHGDSURT-UHFFFAOYSA-N 0 0 321.381 0.392 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCNC(=O)C2)CC[S@]1=O ZINC000186714597 529070764 /nfs/dbraw/zinc/07/07/64/529070764.db2.gz UFQGSCUXCHMBDO-GIPWTMENSA-N 0 0 300.424 0.662 10 0 DCAERN CC1(C)COCCN1CCNC(=O)NCc1cc(C(N)=O)co1 ZINC000186923209 529131739 /nfs/dbraw/zinc/13/17/39/529131739.db2.gz QDYKZFBXGMDBJV-UHFFFAOYSA-N 0 0 324.381 0.289 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)N1CCOCC1 ZINC000119664385 535312478 /nfs/dbraw/zinc/31/24/78/535312478.db2.gz UWHBMBDMZYGMCG-ZIAGYGMSSA-N 0 0 311.426 0.376 10 0 DCAERN CCN1C(=O)C[C@H](C(=O)N(C)CCCO)[C@H]1c1cccnc1 ZINC000451649431 535433764 /nfs/dbraw/zinc/43/37/64/535433764.db2.gz IBDMOCLKPNCPQO-DZGCQCFKSA-N 0 0 305.378 0.832 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCC[C@H](C)OC)CC12COC2 ZINC000454464779 535668460 /nfs/dbraw/zinc/66/84/60/535668460.db2.gz FZFGUOYTBRKAFE-NWDGAFQWSA-N 0 0 314.382 0.633 10 0 DCAERN COCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 ZINC000284459928 536609914 /nfs/dbraw/zinc/60/99/14/536609914.db2.gz ACIJUCAEXZZNDI-BXUZGUMPSA-N 0 0 306.362 0.905 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)NCCc2cccc(OC)n2)C1 ZINC000441442966 536799256 /nfs/dbraw/zinc/79/92/56/536799256.db2.gz CFWZQNSJBQZEDC-NSHDSACASA-N 0 0 307.350 0.837 10 0 DCAERN NC(=O)C1CCC(NS(=O)(=O)c2ccc(N)cc2F)CC1 ZINC000043592910 545649915 /nfs/dbraw/zinc/64/99/15/545649915.db2.gz DQTBVDFQTBHJBJ-UHFFFAOYSA-N 0 0 315.370 0.730 10 0 DCAERN C[NH2+][C@](C)(CCn1cc(I)cn1)C(=O)[O-] ZINC000070678652 545660635 /nfs/dbraw/zinc/66/06/35/545660635.db2.gz CEPAYHCVLYCWKD-SECBINFHSA-N 0 0 323.134 0.941 10 0 DCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NC1CC1 ZINC000073103126 545665112 /nfs/dbraw/zinc/66/51/12/545665112.db2.gz PUNGGVVIOVUKDK-SECBINFHSA-N 0 0 309.391 0.364 10 0 DCAERN CC(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCOCC1 ZINC000096539561 545729151 /nfs/dbraw/zinc/72/91/51/545729151.db2.gz SBCHDPFLNUWOOH-UHFFFAOYSA-N 0 0 304.302 0.656 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000123295962 545752877 /nfs/dbraw/zinc/75/28/77/545752877.db2.gz VFCFGACMZXIFJK-UONOGXRCSA-N 0 0 320.455 0.274 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128161049 545777822 /nfs/dbraw/zinc/77/78/22/545777822.db2.gz XNNSIBXFGDRRRA-BHYGNILZSA-N 0 0 318.417 0.908 10 0 DCAERN O=C(CC[C@H]1CCCCO1)NC[C@@H](O)CN1CCOCC1 ZINC000132359443 545793749 /nfs/dbraw/zinc/79/37/49/545793749.db2.gz RQRYIAWGVAAIND-ZIAGYGMSSA-N 0 0 300.399 0.145 10 0 DCAERN CC1(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)CCC1 ZINC000174991497 545885456 /nfs/dbraw/zinc/88/54/56/545885456.db2.gz YOPKLIIRCRIWQL-UHFFFAOYSA-N 0 0 308.426 0.782 10 0 DCAERN COCCCOC1CN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC000176506037 545887987 /nfs/dbraw/zinc/88/79/87/545887987.db2.gz CCQRZTRPNRNQDZ-UHFFFAOYSA-N 0 0 321.333 0.702 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177417027 545891193 /nfs/dbraw/zinc/89/11/93/545891193.db2.gz URSBTBNXUDPLSC-GFCCVEGCSA-N 0 0 319.409 0.642 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000178139526 545894834 /nfs/dbraw/zinc/89/48/34/545894834.db2.gz XBOLZTIVFQKHOI-LLVKDONJSA-N 0 0 319.361 0.223 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@H]1C(=O)NC ZINC000179240612 545898203 /nfs/dbraw/zinc/89/82/03/545898203.db2.gz JJYDLIWYKGNENU-LBPRGKRZSA-N 0 0 312.414 0.555 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)NCc1ccc(Cl)cn1 ZINC000180776722 545900792 /nfs/dbraw/zinc/90/07/92/545900792.db2.gz PQWVDBXCPPXLCG-UHFFFAOYSA-N 0 0 310.741 0.683 10 0 DCAERN O=C(NCC1(CO)CCC1)Nc1cnn(-c2ncccn2)c1 ZINC000183765859 545909970 /nfs/dbraw/zinc/90/99/70/545909970.db2.gz SSDCLHXJNKGNSA-UHFFFAOYSA-N 0 0 302.338 0.946 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000186192238 545913399 /nfs/dbraw/zinc/91/33/99/545913399.db2.gz PGPFOCOJAOMWMO-UHFFFAOYSA-N 0 0 319.336 0.771 10 0 DCAERN O=C(N[C@H]1CC[C@H](CO)CC1)c1cc2c(cn1)nc[nH]c2=O ZINC000186594034 545914314 /nfs/dbraw/zinc/91/43/14/545914314.db2.gz NRPAKIFACOICIZ-AOOOYVTPSA-N 0 0 302.334 0.599 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)c2ccn(C)c2C)CC1 ZINC000195033298 545933169 /nfs/dbraw/zinc/93/31/69/545933169.db2.gz BOVAREJXDBNXHT-UHFFFAOYSA-N 0 0 313.423 0.877 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)ccn1C ZINC000195284333 545934206 /nfs/dbraw/zinc/93/42/06/545934206.db2.gz XDOHLMMPLCETCA-CYBMUJFWSA-N 0 0 315.377 0.992 10 0 DCAERN O=C(c1cccnc1Br)N1CCO[C@@H](CO)C1 ZINC000225972826 545943508 /nfs/dbraw/zinc/94/35/08/545943508.db2.gz RBSKVPSBOIVDLZ-MRVPVSSYSA-N 0 0 301.140 0.677 10 0 DCAERN COc1nc(NC[C@H]2COCC[NH2+]2)ncc1Br ZINC000235043570 545949770 /nfs/dbraw/zinc/94/97/70/545949770.db2.gz PMECOCYIGZYVOZ-ZETCQYMHSA-N 0 0 303.160 0.648 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000246187196 545963721 /nfs/dbraw/zinc/96/37/21/545963721.db2.gz NZFXEFWRIFTNCY-GXTWGEPZSA-N 0 0 318.439 0.876 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510623 545993557 /nfs/dbraw/zinc/99/35/57/545993557.db2.gz AXOCGFKKVHTHIK-IUODEOHRSA-N 0 0 322.434 0.377 10 0 DCAERN C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)[C@H](C)CO ZINC000305429415 546020634 /nfs/dbraw/zinc/02/06/34/546020634.db2.gz DETHTSQCGAWPSF-RKDXNWHRSA-N 0 0 318.377 0.886 10 0 DCAERN O[C@H](CNc1ncnc2c1CCCCC2)CN1CCOCC1 ZINC000333489666 546083290 /nfs/dbraw/zinc/08/32/90/546083290.db2.gz URXDRVQXDUEFBV-CYBMUJFWSA-N 0 0 306.410 0.851 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NC[C@H]1CCCC[C@H]1O)CCCC2 ZINC000333538955 546084038 /nfs/dbraw/zinc/08/40/38/546084038.db2.gz KSIUHYURCMKPBI-DGCLKSJQSA-N 0 0 307.394 0.804 10 0 DCAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)[C@H]2CNC(=O)C2)[C@@H]1O ZINC000333785119 546092233 /nfs/dbraw/zinc/09/22/33/546092233.db2.gz WGMZDECONUTPNH-XXFPWJFMSA-N 0 0 310.375 0.573 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](F)C3)C2=O)n(C)n1 ZINC000333997315 546097291 /nfs/dbraw/zinc/09/72/91/546097291.db2.gz OSWBODGNQMGYOI-NWDGAFQWSA-N 0 0 323.372 0.977 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000390732981 546220352 /nfs/dbraw/zinc/22/03/52/546220352.db2.gz YVSUABKNWPAPMK-QGZVFWFLSA-N 0 0 313.357 0.599 10 0 DCAERN C[C@H](CNc1ccccc1S(=O)(=O)N(C)C)S(N)(=O)=O ZINC000398243282 546223897 /nfs/dbraw/zinc/22/38/97/546223897.db2.gz GVGTVIQBUJWALG-SECBINFHSA-N 0 0 321.424 0.026 10 0 DCAERN Nc1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c(F)c1 ZINC000404153632 546227380 /nfs/dbraw/zinc/22/73/80/546227380.db2.gz OSKIDOSUNMVNAS-LBPRGKRZSA-N 0 0 304.343 0.228 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000405326283 546230360 /nfs/dbraw/zinc/23/03/60/546230360.db2.gz XGIMKKVPHNHGGO-UONOGXRCSA-N 0 0 324.402 0.329 10 0 DCAERN CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000429186343 546249632 /nfs/dbraw/zinc/24/96/32/546249632.db2.gz XAHGUSVGFSAJGY-IJLUTSLNSA-N 0 0 319.427 0.277 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCc2cncn2C1 ZINC000606443577 546310480 /nfs/dbraw/zinc/31/04/80/546310480.db2.gz IDZGIVOUYDKETI-ZDUSSCGKSA-N 0 0 316.336 0.883 10 0 DCAERN COc1cccc(NC(=O)N2C[C@@H](OC)[C@H](c3cn[nH]n3)C2)n1 ZINC000667320704 546586899 /nfs/dbraw/zinc/58/68/99/546586899.db2.gz NAYDNRMTNHOKSV-GXSJLCMTSA-N 0 0 318.337 0.855 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671430979 547209979 /nfs/dbraw/zinc/20/99/79/547209979.db2.gz AIPOOHFWXHCENS-AWEZNQCLSA-N 0 0 322.390 0.412 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C[NH3+])c2C(=O)[O-])C1 ZINC000675053382 547657779 /nfs/dbraw/zinc/65/77/79/547657779.db2.gz NIGPEPASBWZJMF-MRVPVSSYSA-N 0 0 311.342 0.617 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722334278 660847649 /nfs/dbraw/zinc/84/76/49/660847649.db2.gz PQWCEEGKURCAFY-NWDGAFQWSA-N 0 0 305.396 0.817 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000178499521 660877820 /nfs/dbraw/zinc/87/78/20/660877820.db2.gz BCXGGDWRNMOAIL-GFCCVEGCSA-N 0 0 314.411 0.727 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C1=O ZINC000068239788 665407601 /nfs/dbraw/zinc/40/76/01/665407601.db2.gz NLIUCRPQESPFPE-NSHDSACASA-N 0 0 312.414 0.901 10 0 DCAERN CN(C)Cc1csc(CN[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000722392586 661109221 /nfs/dbraw/zinc/10/92/21/661109221.db2.gz BGTHHYYOMROBOU-SNVBAGLBSA-N 0 0 303.453 0.872 10 0 DCAERN Cc1ccnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888093828 661158241 /nfs/dbraw/zinc/15/82/41/661158241.db2.gz VZMAWKCYNOYFHH-NWDGAFQWSA-N 0 0 303.322 0.095 10 0 DCAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCCc2occc2C1 ZINC000888093594 661158675 /nfs/dbraw/zinc/15/86/75/661158675.db2.gz JBSLLAJVCNSACC-CHWSQXEVSA-N 0 0 318.333 0.392 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccc[nH]2)n(C)c1=O ZINC000888094640 661162188 /nfs/dbraw/zinc/16/21/88/661162188.db2.gz GSBMDGQAHRULGN-VXGBXAGGSA-N 0 0 317.393 0.978 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)C1 ZINC000888095231 661165586 /nfs/dbraw/zinc/16/55/86/661165586.db2.gz UQNGBBQWUUISMH-UONOGXRCSA-N 0 0 306.366 0.315 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CNOC2)ccc1Br ZINC000722501454 661282014 /nfs/dbraw/zinc/28/20/14/661282014.db2.gz PPIIMUSLMBIQTP-QMMMGPOBSA-N 0 0 321.196 0.939 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)N1CCc2ccccc21 ZINC000180267772 665429219 /nfs/dbraw/zinc/42/92/19/665429219.db2.gz CNPGVZHQSZYCNF-FZMZJTMJSA-N 0 0 303.362 0.150 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NCCCc1cc(=O)[nH][nH]1 ZINC000722638134 657804210 /nfs/dbraw/zinc/80/42/10/657804210.db2.gz ONKMOKDINVCXNT-NSHDSACASA-N 0 0 324.381 0.768 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCOC[C@@H]1CO ZINC000168499168 657911745 /nfs/dbraw/zinc/91/17/45/657911745.db2.gz ZQLVPIVUPSBMMI-NSHDSACASA-N 0 0 313.375 0.232 10 0 DCAERN O=S1(=O)CCNC[C@H]1Cc1nc(Cc2cccs2)no1 ZINC000725015463 658025762 /nfs/dbraw/zinc/02/57/62/658025762.db2.gz KFNBSMFWEMDRQD-SNVBAGLBSA-N 0 0 313.404 0.651 10 0 DCAERN Cc1c(S(=O)(=O)N[C@@H](CCO)C2CCCC2)cnn1C ZINC000725041882 658079151 /nfs/dbraw/zinc/07/91/51/658079151.db2.gz JOEDGBTWBKOXQR-LBPRGKRZSA-N 0 0 301.412 0.948 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000725113113 658144825 /nfs/dbraw/zinc/14/48/25/658144825.db2.gz VOIXGHYOJPPHMY-QWRGUYRKSA-N 0 0 305.421 0.729 10 0 DCAERN O=S(=O)(/C=C\c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000255695358 658475293 /nfs/dbraw/zinc/47/52/93/658475293.db2.gz MVCHHBWIHFNKEC-TWGQIWQCSA-N 0 0 301.389 0.718 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000310159125 658491745 /nfs/dbraw/zinc/49/17/45/658491745.db2.gz PKXZTVCJTMSEFW-SNVBAGLBSA-N 0 0 323.574 0.971 10 0 DCAERN CS(=O)(=O)CCNC(=O)NCCc1cc(F)ccc1F ZINC000176341434 658531431 /nfs/dbraw/zinc/53/14/31/658531431.db2.gz WXZPAFGWSFEICH-UHFFFAOYSA-N 0 0 306.334 0.851 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2ccccc2F)CC1=O ZINC000723354911 658643694 /nfs/dbraw/zinc/64/36/94/658643694.db2.gz YRRUCGOGQVZMEP-JTQLQIEISA-N 0 0 300.355 0.972 10 0 DCAERN Cn1c2ccncc2n(CN2CC[C@@H](N3CCOCC3)C2)c1=O ZINC000161395091 658682691 /nfs/dbraw/zinc/68/26/91/658682691.db2.gz HUDFPDIUHIIOOZ-CYBMUJFWSA-N 0 0 317.393 0.099 10 0 DCAERN Cc1ccncc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000888078086 658723332 /nfs/dbraw/zinc/72/33/32/658723332.db2.gz NDMBEQDIMYBPDZ-ZDUSSCGKSA-N 0 0 311.407 0.756 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCC(=O)N2CCN(C)CC2)C1 ZINC000888079202 658729887 /nfs/dbraw/zinc/72/98/87/658729887.db2.gz KOOKTDWWSIDBAQ-ZIAGYGMSSA-N 0 0 321.425 0.336 10 0 DCAERN CCOc1cc(C)nc(N2CCN(CC(OC)OC)CC2)n1 ZINC000160964618 658744768 /nfs/dbraw/zinc/74/47/68/658744768.db2.gz YXPFTORCFFOOAU-UHFFFAOYSA-N 0 0 310.398 0.925 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccnc(F)c1 ZINC000725759312 658752510 /nfs/dbraw/zinc/75/25/10/658752510.db2.gz QEBJWIAXFSXJOY-UHFFFAOYSA-N 0 0 301.343 0.376 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)OCc1ncc(Cl)n1C ZINC000181516700 665606793 /nfs/dbraw/zinc/60/67/93/665606793.db2.gz LYCAHUCIFRQDQW-UHFFFAOYSA-N 0 0 323.802 0.788 10 0 DCAERN CS[C@@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235126940 658764383 /nfs/dbraw/zinc/76/43/83/658764383.db2.gz UESIRVJUZLPMNS-HBNTYKKESA-N 0 0 306.453 0.163 10 0 DCAERN CN(CC(=O)N1CCOCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255333535 658766588 /nfs/dbraw/zinc/76/65/88/658766588.db2.gz BNIYZLGUIZTBFY-GHXNOFRVSA-N 0 0 324.402 0.778 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255888296 658853685 /nfs/dbraw/zinc/85/36/85/658853685.db2.gz SVKVTKKITLWDDA-AAEUAGOBSA-N 0 0 319.409 0.425 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255888299 658854062 /nfs/dbraw/zinc/85/40/62/658854062.db2.gz SVKVTKKITLWDDA-YPMHNXCESA-N 0 0 319.409 0.425 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000181616739 665628426 /nfs/dbraw/zinc/62/84/26/665628426.db2.gz OJEALPGAKSMLEE-KBPBESRZSA-N 0 0 312.410 0.897 10 0 DCAERN Cc1nnc([C@@H]2CN(CCS(=O)(=O)C(C)C)CCO2)[nH]1 ZINC000178234361 659237717 /nfs/dbraw/zinc/23/77/17/659237717.db2.gz DLBZAGCIQNFXBH-NSHDSACASA-N 0 0 302.400 0.310 10 0 DCAERN CC1(CCNC(=O)Cn2c3ccccc3[nH]c2=O)OCCO1 ZINC000185503143 659251048 /nfs/dbraw/zinc/25/10/48/659251048.db2.gz XUYBDOBNKAHSHR-UHFFFAOYSA-N 0 0 305.334 0.599 10 0 DCAERN Cn1cnnc1SCC(=O)NCCNC(=O)c1ccccc1 ZINC000053326246 659351190 /nfs/dbraw/zinc/35/11/90/659351190.db2.gz IYAXVXCOCOPYCU-UHFFFAOYSA-N 0 0 319.390 0.453 10 0 DCAERN CCCc1ccc(NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1 ZINC000191339629 659389846 /nfs/dbraw/zinc/38/98/46/659389846.db2.gz MWHVFMGZBPJXNE-UHFFFAOYSA-N 0 0 303.362 0.925 10 0 DCAERN CC1=C(C(=O)NCC2(CCO)CC2)[C@H](C)n2ncnc2N1C ZINC000192607530 659419073 /nfs/dbraw/zinc/41/90/73/659419073.db2.gz CKHOSYBJZLWFRX-NSHDSACASA-N 0 0 305.382 0.842 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC1=O ZINC000193525531 659447349 /nfs/dbraw/zinc/44/73/49/659447349.db2.gz FCJCSJATGRHFMX-UHFFFAOYSA-N 0 0 310.741 0.630 10 0 DCAERN O=C(OCCc1cn(-c2ccc(F)cc2)nn1)[C@@H]1CNC(=O)C1 ZINC000193895623 659466049 /nfs/dbraw/zinc/46/60/49/659466049.db2.gz QHEXDSLDMPTJOO-JTQLQIEISA-N 0 0 318.308 0.628 10 0 DCAERN CCN1C[C@@H](COC(=O)[C@H]2COCCN2CC(F)F)CC1=O ZINC000194941502 659524112 /nfs/dbraw/zinc/52/41/12/659524112.db2.gz DBFVAFQCUVUDBF-WDEREUQCSA-N 0 0 320.336 0.364 10 0 DCAERN Cc1c(C(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)ccn1C ZINC000194938834 659524239 /nfs/dbraw/zinc/52/42/39/659524239.db2.gz NMNMWERMGLHGEJ-UHFFFAOYSA-N 0 0 315.329 0.768 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000124169915 659652863 /nfs/dbraw/zinc/65/28/63/659652863.db2.gz YKEYPTBJYJHONG-CYBMUJFWSA-N 0 0 313.361 0.960 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000126124004 661451091 /nfs/dbraw/zinc/45/10/91/661451091.db2.gz SKBMYDKBYSCJFK-NSHDSACASA-N 0 0 311.338 0.805 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCC[C@@H](C2OCCO2)C1 ZINC000726371197 661657320 /nfs/dbraw/zinc/65/73/20/661657320.db2.gz BGMJDHXWSDVLPH-LLVKDONJSA-N 0 0 302.334 0.954 10 0 DCAERN COc1cccc(C(=O)COC(=O)C2CC(=O)NC(=O)C2)c1 ZINC000726820582 661675550 /nfs/dbraw/zinc/67/55/50/661675550.db2.gz HYTPTOJRZUZLSO-UHFFFAOYSA-N 0 0 305.286 0.474 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000188446205 661753009 /nfs/dbraw/zinc/75/30/09/661753009.db2.gz PRWNSYVXMZMVCU-INIZCTEOSA-N 0 0 305.378 0.849 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1 ZINC000261881888 661782356 /nfs/dbraw/zinc/78/23/56/661782356.db2.gz YQYQJJYSHXUHNH-UHFFFAOYSA-N 0 0 319.340 0.625 10 0 DCAERN NCc1nc(CN(CCN2CCOCC2)c2ccccc2)no1 ZINC000262208961 662168054 /nfs/dbraw/zinc/16/80/54/662168054.db2.gz LLBKQXPKEQKSJB-UHFFFAOYSA-N 0 0 317.393 0.867 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000341546200 662402534 /nfs/dbraw/zinc/40/25/34/662402534.db2.gz LHEIGIOJMMISNC-GFCCVEGCSA-N 0 0 307.375 0.574 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)OCCCS(C)(=O)=O ZINC000728612265 662407291 /nfs/dbraw/zinc/40/72/91/662407291.db2.gz OAYJFNUPNGESQC-NSHDSACASA-N 0 0 313.375 0.783 10 0 DCAERN COC[C@@H](NC(=S)NCCS(C)(=O)=O)c1ccccc1 ZINC000729159797 662640213 /nfs/dbraw/zinc/64/02/13/662640213.db2.gz XDFVRHHYZLZGOA-GFCCVEGCSA-N 0 0 316.448 0.883 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](O)c2ccccc2)C1 ZINC000263406151 662685858 /nfs/dbraw/zinc/68/58/58/662685858.db2.gz HVVRKVPTVPJRMW-SSDMNJCBSA-N 0 0 306.362 0.774 10 0 DCAERN CN(C[C@@H]1CCc2nccn2C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897472659 662769598 /nfs/dbraw/zinc/76/95/98/662769598.db2.gz KUWQZEYSINNUJN-ZFWWWQNUSA-N 0 0 318.421 0.625 10 0 DCAERN CC(=O)N[C@@H]1CCCN(c2nnnn2Cc2ccccc2)C1 ZINC000929059261 662805031 /nfs/dbraw/zinc/80/50/31/662805031.db2.gz PMDJPQMHEFDUFI-CQSZACIVSA-N 0 0 300.366 0.826 10 0 DCAERN CC(C)[C@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)N(C)C ZINC000729703085 662907774 /nfs/dbraw/zinc/90/77/74/662907774.db2.gz BKVRTPGOPRTHKR-AWEZNQCLSA-N 0 0 322.361 0.820 10 0 DCAERN CC(C)[C@@H](C)NC(=O)COC(=O)COc1ccccc1C(N)=O ZINC000729927235 662912263 /nfs/dbraw/zinc/91/22/63/662912263.db2.gz AQHHTKXQLXKOAI-LLVKDONJSA-N 0 0 322.361 0.868 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691959 663043033 /nfs/dbraw/zinc/04/30/33/663043033.db2.gz NRUHERDFPPPUDI-VIFPVBQESA-N 0 0 306.819 0.836 10 0 DCAERN O=S(=O)(N1CCNCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040861609 663050945 /nfs/dbraw/zinc/05/09/45/663050945.db2.gz DWOPUPBCVYLIIT-SECBINFHSA-N 0 0 301.334 0.411 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000435465648 663198953 /nfs/dbraw/zinc/19/89/53/663198953.db2.gz XBQAXDCJUDHVQP-UHFFFAOYSA-N 0 0 319.365 0.443 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000346480470 663200666 /nfs/dbraw/zinc/20/06/66/663200666.db2.gz UIKTVBBMAAYDOY-RKDXNWHRSA-N 0 0 306.409 0.302 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900602236 663259754 /nfs/dbraw/zinc/25/97/54/663259754.db2.gz PGKYTGUROTZQOV-ZDUSSCGKSA-N 0 0 306.410 0.676 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000436139175 663424334 /nfs/dbraw/zinc/42/43/34/663424334.db2.gz ZWVBWALOYIZNHC-UHFFFAOYSA-N 0 0 319.365 0.491 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccnc(Cl)c2Cl)C1 ZINC000907505208 663700545 /nfs/dbraw/zinc/70/05/45/663700545.db2.gz JWUHUZRSFSMILE-UHFFFAOYSA-N 0 0 318.160 0.975 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C)N1Cc2ccccc2C1=O ZINC000908006233 663727595 /nfs/dbraw/zinc/72/75/95/663727595.db2.gz ZPYJEVYJBJYJCG-JTNHKYCSSA-N 0 0 315.373 0.814 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)N1CCCC1 ZINC000908405943 663754131 /nfs/dbraw/zinc/75/41/31/663754131.db2.gz DEFZKSXJZRDPMB-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(COc1ccccc1F)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909148759 663783545 /nfs/dbraw/zinc/78/35/45/663783545.db2.gz MFQFPOOCWIMMEH-JMSVASOKSA-N 0 0 305.309 0.892 10 0 DCAERN COC(=O)C12CC(C(=O)N[C@@H]3C[C@H](O)[C@@H]3n3cccn3)(C1)C2 ZINC000909192357 663786221 /nfs/dbraw/zinc/78/62/21/663786221.db2.gz AQFSOTDICWCHIT-PDQOPDMNSA-N 0 0 305.334 0.017 10 0 DCAERN CO[C@@H](C)CCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174809969 663826285 /nfs/dbraw/zinc/82/62/85/663826285.db2.gz LIKCLMWMZBVGPF-JTQLQIEISA-N 0 0 306.318 0.658 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCOC[C@@H]2CO)c1)NC1CC1 ZINC000912421555 664174068 /nfs/dbraw/zinc/17/40/68/664174068.db2.gz KRZPAYNXSCYIBW-AWEZNQCLSA-N 0 0 319.361 0.804 10 0 DCAERN CN1CC[C@@](C)(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000912940112 664247446 /nfs/dbraw/zinc/24/74/46/664247446.db2.gz GGFFAFSFIQJTDB-BLLLJJGKSA-N 0 0 317.393 0.797 10 0 DCAERN C[C@](O)(CNC(=O)Nc1ccc(C(N)=O)nc1)c1ccco1 ZINC000163905050 664361834 /nfs/dbraw/zinc/36/18/34/664361834.db2.gz SREJWZWTJSCTIU-AWEZNQCLSA-N 0 0 304.306 0.803 10 0 DCAERN CC(C)OCC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000164683968 664385349 /nfs/dbraw/zinc/38/53/49/664385349.db2.gz LPWLYBWTCDAFOI-UHFFFAOYSA-N 0 0 314.407 0.808 10 0 DCAERN Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)ncn(C)c1=O ZINC000222944943 664396735 /nfs/dbraw/zinc/39/67/35/664396735.db2.gz BPISGOPZJHOTCI-UHFFFAOYSA-N 0 0 315.329 0.676 10 0 DCAERN CC(C)NC(=O)CCNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000223053813 664398991 /nfs/dbraw/zinc/39/89/91/664398991.db2.gz RMAIMIVKUVIEND-UHFFFAOYSA-N 0 0 302.338 0.307 10 0 DCAERN O=C(COCC(=O)N1CCCCCC1)NCC1(CO)CCC1 ZINC000223255136 664405230 /nfs/dbraw/zinc/40/52/30/664405230.db2.gz FBOICOJXZJGLOM-UHFFFAOYSA-N 0 0 312.410 0.684 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N[C@H]1CCc2ncnn2C1 ZINC000188379369 664437963 /nfs/dbraw/zinc/43/79/63/664437963.db2.gz VKEKJMOJLWDMIT-JTQLQIEISA-N 0 0 300.366 0.554 10 0 DCAERN C[C@@H](C(=O)N1Cc2ccccc2NC(=O)[C@H]1C)S(C)(=O)=O ZINC000168768721 664531555 /nfs/dbraw/zinc/53/15/55/664531555.db2.gz AVXMJNLYDCOKJK-ZJUUUORDSA-N 0 0 310.375 0.789 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C(=O)OC)[C@H](C)C2)nc1C ZINC000228800950 664577216 /nfs/dbraw/zinc/57/72/16/664577216.db2.gz ASZOBARUFRWLEL-KOLCDFICSA-N 0 0 315.395 0.641 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H]1CNC(=O)C1 ZINC000171045946 664601596 /nfs/dbraw/zinc/60/15/96/664601596.db2.gz RQTHVHLHAQBEJE-ZYHUDNBSSA-N 0 0 302.330 0.644 10 0 DCAERN COc1ccnc(N2CCN(C(=O)C3=CCCCO3)CC2)n1 ZINC000172712095 664624542 /nfs/dbraw/zinc/62/45/42/664624542.db2.gz GVRQKMSIVAPATD-UHFFFAOYSA-N 0 0 304.350 0.828 10 0 DCAERN CCCn1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cn1 ZINC000174273117 664638581 /nfs/dbraw/zinc/63/85/81/664638581.db2.gz AZZJNPDQHPBTBP-UHFFFAOYSA-N 0 0 315.337 0.375 10 0 DCAERN O=C(CCC(=O)N1CCOc2ccccc21)Nc1nn[nH]n1 ZINC000730278648 664674989 /nfs/dbraw/zinc/67/49/89/664674989.db2.gz UOGNHCLIEBKFOK-UHFFFAOYSA-N 0 0 302.294 0.344 10 0 DCAERN C[C@@H]1CN(Cn2nc(N(C)C)sc2=S)CCS1(=O)=O ZINC000151601646 664707484 /nfs/dbraw/zinc/70/74/84/664707484.db2.gz LFLQHTFMFLMSMY-MRVPVSSYSA-N 0 0 322.481 0.816 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)CNC(=O)c2cccnc2)c1 ZINC000153227757 664804450 /nfs/dbraw/zinc/80/44/50/664804450.db2.gz ZJHCVISHKWZFTH-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN O=C(NCCNS(=O)(=O)Cc1ccccc1)C1=COCCC1 ZINC000730745422 664804837 /nfs/dbraw/zinc/80/48/37/664804837.db2.gz JMKOVOQHAUUBNF-UHFFFAOYSA-N 0 0 324.402 0.917 10 0 DCAERN CCCCCCOCC(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000730771291 664805890 /nfs/dbraw/zinc/80/58/90/664805890.db2.gz ZZAJNYGDIPRLSS-UHFFFAOYSA-N 0 0 311.382 0.784 10 0 DCAERN COCCCN(C(=O)C1=COCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000730774210 664806316 /nfs/dbraw/zinc/80/63/16/664806316.db2.gz SBHRJPQVHAFKBN-CYBMUJFWSA-N 0 0 317.407 0.733 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)COc1ccccc1 ZINC000741421500 664837339 /nfs/dbraw/zinc/83/73/39/664837339.db2.gz QQYXCUWGIWMJTL-QKVFXAPYSA-N 0 0 314.407 0.494 10 0 DCAERN C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000732583002 664946845 /nfs/dbraw/zinc/94/68/45/664946845.db2.gz VZDGRKKBVKXCCC-LBPRGKRZSA-N 0 0 304.346 0.367 10 0 DCAERN CC(C)[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N(C)C ZINC000733027854 665050956 /nfs/dbraw/zinc/05/09/56/665050956.db2.gz LLEOIHCRPFQKFB-NSHDSACASA-N 0 0 305.396 0.467 10 0 DCAERN CC(C)(C)n1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)cn1 ZINC000154436352 665135715 /nfs/dbraw/zinc/13/57/15/665135715.db2.gz QOTYTBNUWBCGNM-NWDGAFQWSA-N 0 0 308.382 0.996 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CC[C@@H](O)c2ccccc21 ZINC000071379074 666058295 /nfs/dbraw/zinc/05/82/95/666058295.db2.gz GQXYOASDNJMTDC-GFCCVEGCSA-N 0 0 319.404 0.305 10 0 DCAERN CN(CC(=O)OC1CCN(CC(F)F)CC1)S(C)(=O)=O ZINC000183987688 666164822 /nfs/dbraw/zinc/16/48/22/666164822.db2.gz MVOQBZHGQIDCBD-UHFFFAOYSA-N 0 0 314.354 0.151 10 0 DCAERN CC[C@@H]1CC(=O)N(CN2CCN(c3cc(OC)ncn3)CC2)C1 ZINC000185607655 666528580 /nfs/dbraw/zinc/52/85/80/666528580.db2.gz RCEHSPFHAIZKAA-CYBMUJFWSA-N 0 0 319.409 0.823 10 0 DCAERN COC(=O)CCc1nc(COC(=O)Cn2nc(C)cc2C)no1 ZINC000733426148 666667256 /nfs/dbraw/zinc/66/72/56/666667256.db2.gz ROVAGKBOXPFYFF-UHFFFAOYSA-N 0 0 322.321 0.732 10 0 DCAERN Nc1nnc(CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000073392745 666708417 /nfs/dbraw/zinc/70/84/17/666708417.db2.gz NPPLVASNYGROGB-UHFFFAOYSA-N 0 0 306.307 0.721 10 0 DCAERN C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCC1=O ZINC000701202324 666818402 /nfs/dbraw/zinc/81/84/02/666818402.db2.gz WCJBGVSPPKBJEU-ZJUUUORDSA-N 0 0 305.421 0.344 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000733899279 666824516 /nfs/dbraw/zinc/82/45/16/666824516.db2.gz FHDPFOQZHGRFCY-IBGZPJMESA-N 0 0 321.420 0.751 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000733958795 666832339 /nfs/dbraw/zinc/83/23/39/666832339.db2.gz CWSKEVBAGANUBN-BIBXISHDSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)C1CCCCC1 ZINC000733964680 666833033 /nfs/dbraw/zinc/83/30/33/666833033.db2.gz STUHHXSQHAZQFR-HXUWFJFHSA-N 0 0 302.440 0.958 10 0 DCAERN C[S@](=O)CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000735052694 666943849 /nfs/dbraw/zinc/94/38/49/666943849.db2.gz XWPWJPFGJSYCSX-QFIPXVFZSA-N 0 0 324.402 0.687 10 0 DCAERN CCN(C(=O)NCC[S@](=O)CC)[C@@H](C)CS(C)(=O)=O ZINC000735109745 666950915 /nfs/dbraw/zinc/95/09/15/666950915.db2.gz JKLVIJJUWWCXAV-XTZNXHDOSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCN(C)CC(F)(F)F ZINC000735100988 666952420 /nfs/dbraw/zinc/95/24/20/666952420.db2.gz OGXDJUSNQWOCIC-LJQANCHMSA-N 0 0 303.350 0.548 10 0 DCAERN CCCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702816970 666999787 /nfs/dbraw/zinc/99/97/87/666999787.db2.gz RZEFZRNUWSTLGK-NEPJUHHUSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cncnc2)C1 ZINC000702818498 666999937 /nfs/dbraw/zinc/99/99/37/666999937.db2.gz JSOWCVOBKKJNIV-RYUDHWBXSA-N 0 0 322.365 0.434 10 0 DCAERN Cn1cnc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702820718 667000410 /nfs/dbraw/zinc/00/04/10/667000410.db2.gz WNGQCNHBGNFUII-ZYHUDNBSSA-N 0 0 324.381 0.378 10 0 DCAERN COC[C@@H](O)CNC(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000735580988 667007474 /nfs/dbraw/zinc/00/74/74/667007474.db2.gz FHYQKBFVDPGTPG-ZDUSSCGKSA-N 0 0 323.349 0.450 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C[C@@H](O)CN1CCCC1=O ZINC000119130169 667087492 /nfs/dbraw/zinc/08/74/92/667087492.db2.gz HMALYOHHNMFDHV-SNVBAGLBSA-N 0 0 300.790 0.489 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncoc2C2CC2)cn1 ZINC000862921838 667091969 /nfs/dbraw/zinc/09/19/69/667091969.db2.gz HZLPDJBUHWDQOQ-NWDGAFQWSA-N 0 0 318.333 0.862 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2nonc2C)c1 ZINC000736145762 667108697 /nfs/dbraw/zinc/10/86/97/667108697.db2.gz UANXMJUBUGRNSK-UHFFFAOYSA-N 0 0 310.335 0.216 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCN1CCOCC1(C)C ZINC000736659186 667214463 /nfs/dbraw/zinc/21/44/63/667214463.db2.gz LWHLXFVNPZGQFF-FQEVSTJZSA-N 0 0 305.444 0.165 10 0 DCAERN C[C@H](CNC(=O)c1cc(C(N)=O)cn1C)CC1(C)OCCO1 ZINC000120208256 667280653 /nfs/dbraw/zinc/28/06/53/667280653.db2.gz MWEOJWBJHUGPIC-JTQLQIEISA-N 0 0 309.366 0.643 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1csc(Br)n1 ZINC000707049376 667430941 /nfs/dbraw/zinc/43/09/41/667430941.db2.gz RKGCNLBJFGKUKU-FSPLSTOPSA-N 0 0 307.169 0.785 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(Cl)n1 ZINC000707203167 667436119 /nfs/dbraw/zinc/43/61/19/667436119.db2.gz DSJRAGYUVNCPNN-MRVPVSSYSA-N 0 0 303.771 0.546 10 0 DCAERN CC1(C)CN(S(=O)(=O)C2CCC(=O)CC2)C[C@@H](CO)O1 ZINC000708239668 667442297 /nfs/dbraw/zinc/44/22/97/667442297.db2.gz DVFVHYVFVPQBMP-NSHDSACASA-N 0 0 305.396 0.300 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)COc1cccc(Br)c1 ZINC000717304309 667544014 /nfs/dbraw/zinc/54/40/14/667544014.db2.gz MBOGJVGRUHBXPU-LDYMZIIASA-N 0 0 318.167 0.686 10 0 DCAERN CCN1C(=O)CN(CN2CCC[C@@H](Cc3noc(C)n3)C2)C1=O ZINC000122211377 667583790 /nfs/dbraw/zinc/58/37/90/667583790.db2.gz ZGQJIFYEMVIIHM-LBPRGKRZSA-N 0 0 321.381 0.874 10 0 DCAERN COc1ccnc(N2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886065614 667727734 /nfs/dbraw/zinc/72/77/34/667727734.db2.gz MMKRRLMAXLDEDO-CQSZACIVSA-N 0 0 304.354 0.188 10 0 DCAERN CCOC1CC(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)C1 ZINC000886077756 667729091 /nfs/dbraw/zinc/72/90/91/667729091.db2.gz FGORFNINMHYWFM-CXHDDBMJSA-N 0 0 308.382 0.571 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCOc3ncccc32)C1=O ZINC000886075472 667729216 /nfs/dbraw/zinc/72/92/16/667729216.db2.gz MMUBDPISUQNXBF-CYBMUJFWSA-N 0 0 319.361 0.835 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2nnnn2-c2ccccc2)c1 ZINC000886079224 667729746 /nfs/dbraw/zinc/72/97/46/667729746.db2.gz MUQBZRXBYGZIHO-BFHYXJOUSA-N 0 0 311.349 0.376 10 0 DCAERN CCn1ncc(CN2CCC[C@](O)(Cc3nc(C)no3)C2)n1 ZINC000886091750 667730567 /nfs/dbraw/zinc/73/05/67/667730567.db2.gz PZRGIOMZXDZYNE-AWEZNQCLSA-N 0 0 306.370 0.559 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)Cc1ccc(Br)cc1 ZINC000717381239 667735601 /nfs/dbraw/zinc/73/56/01/667735601.db2.gz XHUOHLJMJWMTQK-KWQFWETISA-N 0 0 302.168 0.850 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000741421954 667771064 /nfs/dbraw/zinc/77/10/64/667771064.db2.gz SELJFABNDBKRQS-MQJDWESPSA-N 0 0 316.423 0.740 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)OCCCS(N)(=O)=O ZINC000741815824 667777084 /nfs/dbraw/zinc/77/70/84/667777084.db2.gz KTHXZAWHIXISFM-JTQLQIEISA-N 0 0 314.363 0.027 10 0 DCAERN O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000123453977 667787105 /nfs/dbraw/zinc/78/71/05/667787105.db2.gz UZXDARSVIOKTTE-VXGBXAGGSA-N 0 0 302.330 0.719 10 0 DCAERN Cc1ccc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)s1 ZINC000125044860 668198119 /nfs/dbraw/zinc/19/81/19/668198119.db2.gz NANLDUKMSKEVOM-SNVBAGLBSA-N 0 0 302.421 0.449 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126560385 668622748 /nfs/dbraw/zinc/62/27/48/668622748.db2.gz AJUMVOZGOXSTDE-GXTWGEPZSA-N 0 0 310.419 0.949 10 0 DCAERN COc1cc(C)ccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126563797 668626724 /nfs/dbraw/zinc/62/67/24/668626724.db2.gz LJIBWNRJKXJWFC-NSHDSACASA-N 0 0 312.391 0.719 10 0 DCAERN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c(C)c1 ZINC000126745851 668654211 /nfs/dbraw/zinc/65/42/11/668654211.db2.gz VQCFLNHOVRFNDA-NSHDSACASA-N 0 0 312.391 0.719 10 0 DCAERN CN(CCc1cccs1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126853433 668670852 /nfs/dbraw/zinc/67/08/52/668670852.db2.gz IVCZJULNGMLPHT-NSHDSACASA-N 0 0 316.448 0.526 10 0 DCAERN C[C@@H]1CN(C(=O)NCC[S@](=O)C(C)(C)C)CCS1(=O)=O ZINC000126896882 668682200 /nfs/dbraw/zinc/68/22/00/668682200.db2.gz YMKRLBKYWKCKLI-GIGQVBGESA-N 0 0 324.468 0.362 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)O1 ZINC000128120504 669135296 /nfs/dbraw/zinc/13/52/96/669135296.db2.gz JCORQSSGFFBWSJ-PRHODGIISA-N 0 0 318.333 0.478 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)ncc1Cl ZINC000129140177 669361027 /nfs/dbraw/zinc/36/10/27/669361027.db2.gz GYIRVFAZORHTED-XRGYYRRGSA-N 0 0 304.133 0.449 10 0 DCAERN O=C(c1ccc2nccn2c1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794114616 669791618 /nfs/dbraw/zinc/79/16/18/669791618.db2.gz GVRRCEODWZXJKR-OAHLLOKOSA-N 0 0 312.333 0.576 10 0 DCAERN CCOC(=O)c1cnn(CN2CC[C@@H](N3CCOCC3)C2)c1 ZINC000133287803 669794947 /nfs/dbraw/zinc/79/49/47/669794947.db2.gz CAHRDBWUOGMUCK-CQSZACIVSA-N 0 0 308.382 0.424 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(N)ccc2C)C1 ZINC000040330194 669820726 /nfs/dbraw/zinc/82/07/26/669820726.db2.gz RBSUVXSEFOOJOE-ZDUSSCGKSA-N 0 0 311.407 0.866 10 0 DCAERN Cc1cccc(CCCOC(=O)CN(C)S(C)(=O)=O)n1 ZINC000075540099 670025522 /nfs/dbraw/zinc/02/55/22/670025522.db2.gz DKZJINCDSSGZOP-UHFFFAOYSA-N 0 0 300.380 0.757 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000188955938 670068979 /nfs/dbraw/zinc/06/89/79/670068979.db2.gz CQMMOCKWJONGEU-ZDUSSCGKSA-N 0 0 302.334 0.169 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000713250273 670155107 /nfs/dbraw/zinc/15/51/07/670155107.db2.gz HAVUJVIONCCNRX-YUTCNCBUSA-N 0 0 306.362 0.865 10 0 DCAERN CC[C@@H]1C(=O)NCCN1Cc1cn(C)nc1Br ZINC000713862735 670170775 /nfs/dbraw/zinc/17/07/75/670170775.db2.gz YWWKNFPSIHLMFO-SECBINFHSA-N 0 0 301.188 0.893 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000713966770 670172508 /nfs/dbraw/zinc/17/25/08/670172508.db2.gz FEYROWVLCRDPJJ-UHFFFAOYSA-N 0 0 302.783 0.820 10 0 DCAERN CC[C@H](CC(F)(F)F)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000714002432 670173998 /nfs/dbraw/zinc/17/39/98/670173998.db2.gz PAWWJHCXQCNEOT-SSDOTTSWSA-N 0 0 302.318 0.902 10 0 DCAERN CC(C)(C)n1nnc(CNCC[C@@H]2CCCS2(=O)=O)n1 ZINC000714342746 670184713 /nfs/dbraw/zinc/18/47/13/670184713.db2.gz RBURVECQXAWLBB-JTQLQIEISA-N 0 0 301.416 0.485 10 0 DCAERN CCOCCCNC(=S)NCC[C@@H]1CCCS1(=O)=O ZINC000714357688 670184783 /nfs/dbraw/zinc/18/47/83/670184783.db2.gz QMXAOCYITQEZBP-NSHDSACASA-N 0 0 308.469 0.844 10 0 DCAERN Cc1ccn(CC(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c(=O)c1 ZINC000192714614 670185437 /nfs/dbraw/zinc/18/54/37/670185437.db2.gz SCAQBAVOVNGCSP-GFCCVEGCSA-N 0 0 304.346 0.711 10 0 DCAERN CC(C)CCOCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000079389474 670185647 /nfs/dbraw/zinc/18/56/47/670185647.db2.gz LWSHBTBHPBHVED-UHFFFAOYSA-N 0 0 322.365 0.736 10 0 DCAERN CN(C)c1noc(CN(CCS(C)(=O)=O)C(C)(C)C)n1 ZINC000192748355 670186287 /nfs/dbraw/zinc/18/62/87/670186287.db2.gz NOZPYKZRLUTTDC-UHFFFAOYSA-N 0 0 304.416 0.781 10 0 DCAERN CN(C)c1noc(CN2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000192766387 670186995 /nfs/dbraw/zinc/18/69/95/670186995.db2.gz AJRZRZLLXYEYCF-ZDUSSCGKSA-N 0 0 320.397 0.815 10 0 DCAERN CC(=O)CCC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000192877124 670196997 /nfs/dbraw/zinc/19/69/97/670196997.db2.gz IVTSOLUSVRWCKQ-UHFFFAOYSA-N 0 0 310.394 0.843 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1ccns1 ZINC000715925696 670226235 /nfs/dbraw/zinc/22/62/35/670226235.db2.gz GHUGCEUVCZCFFD-MRVPVSSYSA-N 0 0 307.397 0.533 10 0 DCAERN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CC1(C)OCCO1 ZINC000715995784 670229867 /nfs/dbraw/zinc/22/98/67/670229867.db2.gz DMZYFGOMZWYYGF-JTQLQIEISA-N 0 0 311.386 0.947 10 0 DCAERN C[C@H](NCCS(=O)(=O)N1CCOCC1)c1ccns1 ZINC000716013691 670230923 /nfs/dbraw/zinc/23/09/23/670230923.db2.gz HDMYHRQSKSWCIF-JTQLQIEISA-N 0 0 305.425 0.456 10 0 DCAERN CC[C@@H](C[C@H](C)O)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000716858090 670270842 /nfs/dbraw/zinc/27/08/42/670270842.db2.gz XBZZTIKRKPXHAQ-JQWIXIFHSA-N 0 0 306.428 0.324 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H](O)c2ccccc2)cn1 ZINC000194179905 670408868 /nfs/dbraw/zinc/40/88/68/670408868.db2.gz KDGAKQJRVBAGCV-CYBMUJFWSA-N 0 0 317.349 0.484 10 0 DCAERN CC(C)c1nnnn1CC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081450442 670435887 /nfs/dbraw/zinc/43/58/87/670435887.db2.gz FLVYQJFOXCHNDF-SNVBAGLBSA-N 0 0 311.386 0.985 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081589392 670444711 /nfs/dbraw/zinc/44/47/11/670444711.db2.gz QZGLCIFJTYHVCK-WDEREUQCSA-N 0 0 309.395 0.459 10 0 DCAERN COC[C@@H](C)C(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000103815567 670953909 /nfs/dbraw/zinc/95/39/09/670953909.db2.gz SHANZJPKOMGDIO-LLVKDONJSA-N 0 0 320.345 0.906 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116087368 671003193 /nfs/dbraw/zinc/00/31/93/671003193.db2.gz WMNODQIMKLSWPU-GFCCVEGCSA-N 0 0 322.796 0.515 10 0 DCAERN CC(C)N1C(=O)C(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116259191 671029708 /nfs/dbraw/zinc/02/97/08/671029708.db2.gz ZPAANOCBPBJVPD-NSHDSACASA-N 0 0 319.365 0.366 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2coc(C)n2)cn1 ZINC000818600247 671034274 /nfs/dbraw/zinc/03/42/74/671034274.db2.gz WEROEIKAKKDTCC-WCQYABFASA-N 0 0 306.322 0.776 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000116892130 671137282 /nfs/dbraw/zinc/13/72/82/671137282.db2.gz RKYLTFITBHIGKE-OLZOCXBDSA-N 0 0 318.826 0.997 10 0 DCAERN CN(CCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC000105903282 672247781 /nfs/dbraw/zinc/24/77/81/672247781.db2.gz DCFQRLYHVCYJLR-UHFFFAOYSA-N 0 0 314.455 0.324 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC(=O)N1 ZINC000388977793 685256498 /nfs/dbraw/zinc/25/64/98/685256498.db2.gz XWTFSCZKRXDQGQ-QMMMGPOBSA-N 0 0 303.771 0.600 10 0 DCAERN COc1ncc(S(=O)(=O)N2CCC([C@@H](C)O)CC2)s1 ZINC000389158465 685257348 /nfs/dbraw/zinc/25/73/48/685257348.db2.gz YMPPNKVBRDYOOR-MRVPVSSYSA-N 0 0 306.409 0.933 10 0 DCAERN C[C@@H](CNC(=O)c1cccnc1Br)S(N)(=O)=O ZINC000398281640 685274711 /nfs/dbraw/zinc/27/47/11/685274711.db2.gz LOVLONICLSTSPR-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)NCc2cn[nH]n2)ccc1Cl ZINC000398331591 685274855 /nfs/dbraw/zinc/27/48/55/685274855.db2.gz GCPDQIGSMIMGPN-UHFFFAOYSA-N 0 0 314.754 0.792 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000456516673 685289134 /nfs/dbraw/zinc/28/91/34/685289134.db2.gz KWDYGEBHZIQDJB-NEPJUHHUSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@H]1CO[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000718557893 685305667 /nfs/dbraw/zinc/30/56/67/685305667.db2.gz HRYLCHJSGYXFEF-VXNVDRBHSA-N 0 0 304.393 0.437 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717275375 685303923 /nfs/dbraw/zinc/30/39/23/685303923.db2.gz JIMOBHPVLXNBQV-JTQLQIEISA-N 0 0 308.400 0.131 10 0 DCAERN Nc1cnc(C(=O)NCCOC(F)(F)C(F)(F)F)cn1 ZINC000720259945 685312771 /nfs/dbraw/zinc/31/27/71/685312771.db2.gz LCWSABUPLFLCEQ-UHFFFAOYSA-N 0 0 300.187 0.960 10 0 DCAERN Cn1cc(CNC(=O)CCn2cncn2)c(Br)n1 ZINC000720666748 685314390 /nfs/dbraw/zinc/31/43/90/685314390.db2.gz COXBHORQGPSYTK-UHFFFAOYSA-N 0 0 313.159 0.481 10 0 DCAERN Cn1cc(CNC(=O)CN2CCCC2=O)c(Br)n1 ZINC000720667809 685314917 /nfs/dbraw/zinc/31/49/17/685314917.db2.gz NBXCEBTVKOHZHD-UHFFFAOYSA-N 0 0 315.171 0.421 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC1(C)CC(F)(F)C1 ZINC000720984405 685317413 /nfs/dbraw/zinc/31/74/13/685317413.db2.gz GAQOKFZETXVDDW-UHFFFAOYSA-N 0 0 300.327 0.504 10 0 DCAERN CC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000722043911 685319296 /nfs/dbraw/zinc/31/92/96/685319296.db2.gz PQSYKCKYYJMXEX-NWDGAFQWSA-N 0 0 302.396 0.238 10 0 DCAERN O=C(Cc1ccc[nH]1)N1CCCN(C(=O)c2cnccn2)CC1 ZINC000075051041 685077717 /nfs/dbraw/zinc/07/77/17/685077717.db2.gz XWSGYHAYGBMWLZ-UHFFFAOYSA-N 0 0 313.361 0.722 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000245663093 685158001 /nfs/dbraw/zinc/15/80/01/685158001.db2.gz AHGXATPNLHBEGE-IOASZLSFSA-N 0 0 322.405 0.642 10 0 DCAERN COC(=O)[C@]1(C)CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000246616429 685165527 /nfs/dbraw/zinc/16/55/27/685165527.db2.gz VGMAYFPPRMFIFH-MQIPJXDCSA-N 0 0 306.362 0.780 10 0 DCAERN C[C@@H]1C[C@@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000248522671 685175565 /nfs/dbraw/zinc/17/55/65/685175565.db2.gz SDZADXSGTKHSPV-JGPRNRPPSA-N 0 0 320.349 0.629 10 0 DCAERN Cn1ncc(C(=O)N2CCO[C@@H](CO)C2)c1Br ZINC000379221961 685235576 /nfs/dbraw/zinc/23/55/76/685235576.db2.gz UHKWVTDAQJRRBL-SSDOTTSWSA-N 0 0 304.144 0.016 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000383694488 685243164 /nfs/dbraw/zinc/24/31/64/685243164.db2.gz RDKAVOREOMAEIP-KNVOCYPGSA-N 0 0 301.144 0.581 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2c(Br)nnn2C)C1 ZINC000385207932 685246069 /nfs/dbraw/zinc/24/60/69/685246069.db2.gz XANXUHZFHUIMPZ-ZCFIWIBFSA-N 0 0 317.143 0.213 10 0 DCAERN CC(C)(C)C(=O)CNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000086515543 1157874950 /nfs/dbraw/zinc/87/49/50/1157874950.db2.gz KYENWOBSYWYTHS-UHFFFAOYSA-N 0 0 311.425 0.098 10 0 DCAERN COc1cc(C(=O)NCCNC(=O)c2ccccc2)ncn1 ZINC000585357177 1158110763 /nfs/dbraw/zinc/11/07/63/1158110763.db2.gz RENDBXCCSMKYOY-UHFFFAOYSA-N 0 0 300.318 0.645 10 0 DCAERN O=C(NCCn1cnccc1=O)c1cc2ccccc2oc1=O ZINC000585237995 1158110798 /nfs/dbraw/zinc/11/07/98/1158110798.db2.gz CNBAJIKOFMGOET-UHFFFAOYSA-N 0 0 311.297 0.780 10 0 DCAERN Cn1ccc([C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC000585389572 1158111785 /nfs/dbraw/zinc/11/17/85/1158111785.db2.gz WVIWPKAPAZOVPS-LLVKDONJSA-N 0 0 304.350 0.275 10 0 DCAERN C[C@@]1(NC(=O)c2cc(F)c(F)cc2N)CCS(=O)(=O)C1 ZINC000050018124 1171714618 /nfs/dbraw/zinc/71/46/18/1171714618.db2.gz ZKIXFNFPALMNQY-GFCCVEGCSA-N 0 0 304.318 0.854 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2ccsc2)CC1 ZINC000055157535 1171867961 /nfs/dbraw/zinc/86/79/61/1171867961.db2.gz XOUJWLUXYMOBEH-UHFFFAOYSA-N 0 0 309.391 0.605 10 0 DCAERN Cn1ncc2c1nnn(Cc1cncc(Br)c1)c2=O ZINC000122234705 1175928729 /nfs/dbraw/zinc/92/87/29/1175928729.db2.gz RFYWFUBLAVHKJG-UHFFFAOYSA-N 0 0 321.138 0.731 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C(=O)N1 ZINC000123684932 1177057148 /nfs/dbraw/zinc/05/71/48/1177057148.db2.gz ACEGCGMFEXCANQ-QMMMGPOBSA-N 0 0 320.729 0.563 10 0 DCAERN Cc1nccn1CCCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000130461796 1177449682 /nfs/dbraw/zinc/44/96/82/1177449682.db2.gz NSITVLAHLAKBOU-LLVKDONJSA-N 0 0 307.354 0.076 10 0 DCAERN C[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000221789757 1180399502 /nfs/dbraw/zinc/39/95/02/1180399502.db2.gz WLWHEYLDOLLLJD-MXWKQRLJSA-N 0 0 307.437 0.136 10 0 DCAERN CS(=O)(=O)CCN1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000245498761 1182844721 /nfs/dbraw/zinc/84/47/21/1182844721.db2.gz WVVHGGORCLKGDG-WDNDVIMCSA-N 0 0 314.451 0.611 10 0 DCAERN COCCC(=O)NCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000169837613 1183609845 /nfs/dbraw/zinc/60/98/45/1183609845.db2.gz VDHUESVFPWDPKD-UHFFFAOYSA-N 0 0 310.350 0.586 10 0 DCAERN COCC(=O)NCCNC(=O)c1ccc(Br)o1 ZINC000169839446 1183610213 /nfs/dbraw/zinc/61/02/13/1183610213.db2.gz GZMIRXFPJHIWGI-UHFFFAOYSA-N 0 0 305.128 0.535 10 0 DCAERN CC(C)N1C[C@H](C(=O)NCCNC(=O)c2ccccn2)CC1=O ZINC000169840715 1183610281 /nfs/dbraw/zinc/61/02/81/1183610281.db2.gz FJZBBHVKRUAMBJ-GFCCVEGCSA-N 0 0 318.377 0.185 10 0 DCAERN Cc1cc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)no1 ZINC000169913918 1183623406 /nfs/dbraw/zinc/62/34/06/1183623406.db2.gz WWOCWWFVXVCEMV-LLVKDONJSA-N 0 0 322.365 0.086 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000174810956 1183996419 /nfs/dbraw/zinc/99/64/19/1183996419.db2.gz UGJCNKQWTWWSFI-UHFFFAOYSA-N 0 0 323.418 0.901 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@]12CCOC2=O ZINC000186498401 1187386600 /nfs/dbraw/zinc/38/66/00/1187386600.db2.gz DMHYIHWFDODMLI-OAHLLOKOSA-N 0 0 300.318 0.739 10 0 DCAERN Cc1cc(C)c2c(c1)CCN(C(=O)CN1C(=O)CNC1=O)C2 ZINC000186728780 1187414190 /nfs/dbraw/zinc/41/41/90/1187414190.db2.gz DVLFPDDXMTUAGC-UHFFFAOYSA-N 0 0 301.346 0.740 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3cnns3)CC2)n1 ZINC000187410156 1187492070 /nfs/dbraw/zinc/49/20/70/1187492070.db2.gz NSSLJJLJMBVBQN-UHFFFAOYSA-N 0 0 324.366 0.026 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC000189827376 1187953576 /nfs/dbraw/zinc/95/35/76/1187953576.db2.gz XXGJVLBEMZSNBB-INIZCTEOSA-N 0 0 315.377 0.949 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccc3cc[nH]c3c2)OCCO1 ZINC000193252972 1187998469 /nfs/dbraw/zinc/99/84/69/1187998469.db2.gz NPNZPQLYHJELTD-UHFFFAOYSA-N 0 0 303.318 0.986 10 0 DCAERN CCOCCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307910357 1190386151 /nfs/dbraw/zinc/38/61/51/1190386151.db2.gz ZGILRGPIOUTUIT-UHFFFAOYSA-N 0 0 300.380 0.829 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316615220 1190414555 /nfs/dbraw/zinc/41/45/55/1190414555.db2.gz WUDXDRHFOYBZHL-HQJQHLMTSA-N 0 0 315.167 0.457 10 0 DCAERN COC[C@]1(C(=O)[O-])CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000381055626 1190699127 /nfs/dbraw/zinc/69/91/27/1190699127.db2.gz IKZZAIDMBQTOHL-INIZCTEOSA-N 0 0 306.362 0.726 10 0 DCAERN Cc1nnc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)n1C ZINC000393139169 1190701513 /nfs/dbraw/zinc/70/15/13/1190701513.db2.gz GDSAZNSWSYIRMZ-UHFFFAOYSA-N 0 0 309.326 0.613 10 0 DCAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000588454810 747311214 /nfs/dbraw/zinc/31/12/14/747311214.db2.gz NNFCDBBNMVPRFN-MEJMFZKBSA-N 0 0 323.418 0.943 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1cnc(Cl)c(F)c1 ZINC000404219851 747442602 /nfs/dbraw/zinc/44/26/02/747442602.db2.gz KDRCECCTGGTZNA-LLVKDONJSA-N 0 0 324.761 0.694 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@H]1C(=O)NCC[C@H]1C ZINC000588617595 747553770 /nfs/dbraw/zinc/55/37/70/747553770.db2.gz OYASKCOIUTUTDF-HFAKWTLXSA-N 0 0 319.409 0.329 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000180796387 758201381 /nfs/dbraw/zinc/20/13/81/758201381.db2.gz NVAWRZSLHLUENO-PWSUYJOCSA-N 0 0 305.382 0.886 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000180796349 758201945 /nfs/dbraw/zinc/20/19/45/758201945.db2.gz NVAWRZSLHLUENO-ZYHUDNBSSA-N 0 0 305.382 0.886 10 0 DCAERN C[C@@]1(NS(=O)(=O)c2cccnc2F)CCS(=O)(=O)C1 ZINC000401830128 768656821 /nfs/dbraw/zinc/65/68/21/768656821.db2.gz MUDCSYLZLYTIGB-SNVBAGLBSA-N 0 0 308.356 0.076 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](Nc2cnc(Br)cn2)C1 ZINC000400183974 774022071 /nfs/dbraw/zinc/02/20/71/774022071.db2.gz IQJKNERQEDCIJZ-SSDOTTSWSA-N 0 0 321.200 0.107 10 0 DCAERN COC(=O)c1sccc1CN[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400177903 774022235 /nfs/dbraw/zinc/02/22/35/774022235.db2.gz FPNPCQJSZIDMCP-SNVBAGLBSA-N 0 0 318.420 0.658 10 0 DCAERN CON(C)C(=O)CNC(=O)c1nscc1Br ZINC000404779659 774140709 /nfs/dbraw/zinc/14/07/09/774140709.db2.gz MTGYEVOPUVRBTH-UHFFFAOYSA-N 0 0 308.157 0.655 10 0 DCAERN O=S(=O)(C1C[NH2+]C1)N1CC[C@H](COCc2ccccc2)C1 ZINC000405151125 774151801 /nfs/dbraw/zinc/15/18/01/774151801.db2.gz OUZFCWGCKZYVLG-AWEZNQCLSA-N 0 0 310.419 0.827 10 0 DCAERN CNC(=O)Cc1nc(CN(CCO)CCCOC)cs1 ZINC000189870729 774477560 /nfs/dbraw/zinc/47/75/60/774477560.db2.gz MHVXWLFKYUSPJQ-UHFFFAOYSA-N 0 0 301.412 0.262 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC000316235597 774935372 /nfs/dbraw/zinc/93/53/72/774935372.db2.gz UYSQOOMXWCPWHU-ANCZFUFASA-N 0 0 317.794 0.926 10 0 DCAERN O=C(N[C@@H]1CNOC1)c1ccccc1I ZINC000722480369 945149060 /nfs/dbraw/zinc/14/90/60/945149060.db2.gz LUPYMFYUZXGCIX-SSDOTTSWSA-N 0 0 318.114 0.924 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@@H]2CCC(C)(C)O2)c(=O)n(C)c1=O ZINC000588587180 939422417 /nfs/dbraw/zinc/42/24/17/939422417.db2.gz BXHOVCQUZKGVKP-FJOGCWAESA-N 0 0 322.361 0.598 10 0 DCAERN CO[C@@H](C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000713258306 941007674 /nfs/dbraw/zinc/00/76/74/941007674.db2.gz FGKQAPQZAMBQQV-CQSZACIVSA-N 0 0 306.362 0.867 10 0 DCAERN CCc1cccc(NC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000585120047 947834783 /nfs/dbraw/zinc/83/47/83/947834783.db2.gz JYNATEXEIOGDIL-CHWSQXEVSA-N 0 0 312.391 0.871 10 0 DCAERN CN(CCC(N)=O)C(=O)c1cc(Br)ccc1N ZINC000381976600 948731662 /nfs/dbraw/zinc/73/16/62/948731662.db2.gz DHNPYIRBOLMRCN-UHFFFAOYSA-N 0 0 300.156 0.979 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000690818323 976338493 /nfs/dbraw/zinc/33/84/93/976338493.db2.gz QWMLETUEEKXMEM-NWDGAFQWSA-N 0 0 304.412 0.597 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000692358819 976433622 /nfs/dbraw/zinc/43/36/22/976433622.db2.gz IYHOKBWPRNJTAW-ZWNOBZJWSA-N 0 0 302.396 0.174 10 0 DCAERN C[C@@H](CCCO)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000088499470 185254159 /nfs/dbraw/zinc/25/41/59/185254159.db2.gz HHPCMOMDIVMUGK-STQMWFEESA-N 0 0 307.398 0.906 10 0 DCAERN CCS(=O)(=O)CC(=O)Nc1c[nH]cc(Br)c1=O ZINC000089991259 185275305 /nfs/dbraw/zinc/27/53/05/185275305.db2.gz GGPHCCFKNFRJBS-UHFFFAOYSA-N 0 0 323.168 0.511 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CCNC(=O)CC1 ZINC000090548659 185302481 /nfs/dbraw/zinc/30/24/81/185302481.db2.gz KKXYLUPFGGCOPP-UHFFFAOYSA-N 0 0 317.389 0.426 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000182405590 529701478 /nfs/dbraw/zinc/70/14/78/529701478.db2.gz SRMFEEPVZPDEQP-AWEZNQCLSA-N 0 0 320.455 0.131 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000182407649 529701300 /nfs/dbraw/zinc/70/13/00/529701300.db2.gz DUULNWOFCZMFBH-UONOGXRCSA-N 0 0 320.455 0.274 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[C@H](C)CO ZINC000092837127 185345090 /nfs/dbraw/zinc/34/50/90/185345090.db2.gz WGEUEBIZZMWTDZ-GHMZBOCLSA-N 0 0 319.365 0.709 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000181424890 199295038 /nfs/dbraw/zinc/29/50/38/199295038.db2.gz PRJGLJBOZANPAR-ZDUSSCGKSA-N 0 0 303.318 0.444 10 0 DCAERN O=C(NCCCOCCO)NCc1cccnc1-n1ccnc1 ZINC000181468231 199301660 /nfs/dbraw/zinc/30/16/60/199301660.db2.gz DBGCAOLZYDGROR-UHFFFAOYSA-N 0 0 319.365 0.466 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877769 529851956 /nfs/dbraw/zinc/85/19/56/529851956.db2.gz GUIXNLXMZSDNQR-LLVKDONJSA-N 0 0 312.395 0.398 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCCNC(=O)C(C)C)C(C)C ZINC000179147791 529896911 /nfs/dbraw/zinc/89/69/11/529896911.db2.gz QZROHLBFDCOQOO-NSHDSACASA-N 0 0 300.403 0.219 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(C)C ZINC000178586616 529895798 /nfs/dbraw/zinc/89/57/98/529895798.db2.gz UTTBSQCQBDNBBE-LBPRGKRZSA-N 0 0 309.341 0.329 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C)c1)C(C)C ZINC000179077701 529895875 /nfs/dbraw/zinc/89/58/75/529895875.db2.gz ALJQTRMEYMLXHR-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000178412998 529920097 /nfs/dbraw/zinc/92/00/97/529920097.db2.gz JAHSSBUWKXOUKC-GHMZBOCLSA-N 0 0 308.386 0.491 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCCO1 ZINC000043571205 545649406 /nfs/dbraw/zinc/64/94/06/545649406.db2.gz YIGBJTQGUQEAQT-PELKAZGASA-N 0 0 316.354 0.770 10 0 DCAERN CC(C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)C(N)=O ZINC000107187282 185471022 /nfs/dbraw/zinc/47/10/22/185471022.db2.gz HAPAEDVSRXFMFL-NSHDSACASA-N 0 0 322.756 0.555 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)N2CCCC(C)(C)C2)CC1 ZINC000171867564 530067508 /nfs/dbraw/zinc/06/75/08/530067508.db2.gz LZCHEFZWRVCZPO-UHFFFAOYSA-N 0 0 310.442 0.982 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@@H](C)OC)CC[S@@]1=O ZINC000195457194 282375576 /nfs/dbraw/zinc/37/55/76/282375576.db2.gz OMPRHYITIHFOSH-ADLMAVQZSA-N 0 0 311.469 0.974 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000188913525 290756113 /nfs/dbraw/zinc/75/61/13/290756113.db2.gz JZGPOZFTYLCPJU-CHWSQXEVSA-N 0 0 312.391 0.464 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)c1cccc(-n2cncn2)c1 ZINC000115320911 185675633 /nfs/dbraw/zinc/67/56/33/185675633.db2.gz OCPUIWBDDJGFAO-UHFFFAOYSA-N 0 0 301.350 0.864 10 0 DCAERN Cc1c(NC(=O)N[C@H]2CCC(=O)NC2=O)cccc1N(C)C ZINC000183328038 199575427 /nfs/dbraw/zinc/57/54/27/199575427.db2.gz ZJMYRNQIFSBISM-NSHDSACASA-N 0 0 304.350 0.988 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000083607152 192375409 /nfs/dbraw/zinc/37/54/09/192375409.db2.gz ODWDJXUINCODCE-UHFFFAOYSA-N 0 0 309.391 0.684 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000083615048 192375628 /nfs/dbraw/zinc/37/56/28/192375628.db2.gz AFAASTOICBHYHM-LLVKDONJSA-N 0 0 322.390 0.599 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCS[C@@H](C)C1 ZINC000171512048 186170910 /nfs/dbraw/zinc/17/09/10/186170910.db2.gz MUKYCPXAKALCLX-VIFPVBQESA-N 0 0 306.391 0.837 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccnc1 ZINC000177847679 186192770 /nfs/dbraw/zinc/19/27/70/186192770.db2.gz FRIRIQJTFRZYML-GFCCVEGCSA-N 0 0 313.361 0.794 10 0 DCAERN C[C@@H](O)CN(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179706855 186208233 /nfs/dbraw/zinc/20/82/33/186208233.db2.gz YVDXBUFTZICDCJ-SSDOTTSWSA-N 0 0 313.155 0.945 10 0 DCAERN COCCn1c(C)cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179732619 186211253 /nfs/dbraw/zinc/21/12/53/186211253.db2.gz FUNVNRHEKVVDDC-CQSZACIVSA-N 0 0 323.393 0.120 10 0 DCAERN CS(=O)(=O)NCCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000253394903 186304504 /nfs/dbraw/zinc/30/45/04/186304504.db2.gz MNBUYJAAKXPWJJ-CHWSQXEVSA-N 0 0 302.371 0.483 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCCN3CCOC3=O)C2)cn1 ZINC000172184088 198053512 /nfs/dbraw/zinc/05/35/12/198053512.db2.gz ONJOFOOSTNLSJP-LBPRGKRZSA-N 0 0 321.381 0.761 10 0 DCAERN CN1CC[C@@H](NC(=O)NCc2cnn(-c3ccccc3)c2)C1=O ZINC000172343623 198083059 /nfs/dbraw/zinc/08/30/59/198083059.db2.gz POFCKMBPPBXICR-CQSZACIVSA-N 0 0 313.361 0.902 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172538023 198111513 /nfs/dbraw/zinc/11/15/13/198111513.db2.gz KNJGFKAKGRRMIB-SNVBAGLBSA-N 0 0 301.350 0.731 10 0 DCAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)C(=O)N(C)C ZINC000172548421 198113340 /nfs/dbraw/zinc/11/33/40/198113340.db2.gz QRCMSTOHHFLVPK-LLVKDONJSA-N 0 0 307.398 0.786 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)NCc1ccc(CO)c(F)c1 ZINC000172660758 198133786 /nfs/dbraw/zinc/13/37/86/198133786.db2.gz MSKOMLWGWQUJKM-NSHDSACASA-N 0 0 303.355 0.774 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CSC)CC2 ZINC000172675489 198135502 /nfs/dbraw/zinc/13/55/02/198135502.db2.gz GWAORQXYGQJDNH-UHFFFAOYSA-N 0 0 300.405 0.847 10 0 DCAERN CCc1nc2nc(C)c(C(=O)N3CCN(CC)CC3)cn2n1 ZINC000072466355 191174045 /nfs/dbraw/zinc/17/40/45/191174045.db2.gz POJCBMUOAZNLNZ-UHFFFAOYSA-N 0 0 302.382 0.773 10 0 DCAERN O=C(NCC[S@](=O)Cc1ccccc1)[C@@H]1CSC(=O)N1 ZINC000172799180 198150786 /nfs/dbraw/zinc/15/07/86/198150786.db2.gz FIASYTOKLZAACJ-YBTHPKLGSA-N 0 0 312.416 0.877 10 0 DCAERN Cn1cc(NC(=O)[C@H]2COc3ccccc32)c(=O)n(C)c1=O ZINC000173084506 198183932 /nfs/dbraw/zinc/18/39/32/198183932.db2.gz IZBUBDZJHCHCTP-JTQLQIEISA-N 0 0 301.302 0.199 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173452389 198216571 /nfs/dbraw/zinc/21/65/71/198216571.db2.gz UKAKFXHYXZNWTL-RTXFEEFZSA-N 0 0 316.357 0.908 10 0 DCAERN CNC(=O)NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173707711 198243695 /nfs/dbraw/zinc/24/36/95/198243695.db2.gz VVCDWDBAAWCVIM-UHFFFAOYSA-N 0 0 307.354 0.762 10 0 DCAERN CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000173882607 198263476 /nfs/dbraw/zinc/26/34/76/198263476.db2.gz SLCINQGXYIUVFZ-STQMWFEESA-N 0 0 316.357 0.862 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)NCc2ccc(F)cc2)c1 ZINC000173810447 198255212 /nfs/dbraw/zinc/25/52/12/198255212.db2.gz JGRKIIDULLXGPF-UHFFFAOYSA-N 0 0 304.325 0.763 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000174271408 198312465 /nfs/dbraw/zinc/31/24/65/198312465.db2.gz ARYBLQNPYOTJBR-LBPRGKRZSA-N 0 0 304.346 0.994 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000174271396 198312640 /nfs/dbraw/zinc/31/26/40/198312640.db2.gz ARYBLQNPYOTJBR-GFCCVEGCSA-N 0 0 304.346 0.994 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000333113607 295876047 /nfs/dbraw/zinc/87/60/47/295876047.db2.gz YCJBRDVVTCIGQU-OLZOCXBDSA-N 0 0 320.397 0.229 10 0 DCAERN CCOc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000074773762 191357577 /nfs/dbraw/zinc/35/75/77/191357577.db2.gz RAEDGJSSTJERKH-CYBMUJFWSA-N 0 0 314.407 0.694 10 0 DCAERN O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCN1CCOCC1 ZINC000073658329 191338343 /nfs/dbraw/zinc/33/83/43/191338343.db2.gz BPPQKDYUNARBLI-UHFFFAOYSA-N 0 0 309.753 0.675 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)N1CCN(C2CC2)CC1 ZINC000081082624 192224745 /nfs/dbraw/zinc/22/47/45/192224745.db2.gz BWUOIBFPFCEHFV-UHFFFAOYSA-N 0 0 313.365 0.974 10 0 DCAERN CC(=O)Nc1nc2ncc(COC(C)=O)nc2c(NC(C)=O)n1 ZINC000005726238 181277059 /nfs/dbraw/zinc/27/70/59/181277059.db2.gz TXSYJVCGQSKVNH-UHFFFAOYSA-N 0 0 318.293 0.400 10 0 DCAERN Cc1nc(SCC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n[nH]1 ZINC000081442991 192268305 /nfs/dbraw/zinc/26/83/05/192268305.db2.gz ZSIMJHJUQITLHR-VIFPVBQESA-N 0 0 310.301 0.731 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)cn1 ZINC000177614202 198751332 /nfs/dbraw/zinc/75/13/32/198751332.db2.gz UOTPWDNVIANMEA-DGCLKSJQSA-N 0 0 317.393 0.682 10 0 DCAERN O=C(Nc1cc(F)ccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629075 198753432 /nfs/dbraw/zinc/75/34/32/198753432.db2.gz JGTYWMOIOZINIX-SECBINFHSA-N 0 0 321.287 0.626 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000408145987 283194270 /nfs/dbraw/zinc/19/42/70/283194270.db2.gz WPQXTEMUOBCVET-LBPRGKRZSA-N 0 0 324.468 0.520 10 0 DCAERN CN1N=C(C(=O)N2CCCC[C@H]2CN2CCOCC2)CCC1=O ZINC000110959654 283257435 /nfs/dbraw/zinc/25/74/35/283257435.db2.gz LXSLAMAFGCTJAF-ZDUSSCGKSA-N 0 0 322.409 0.308 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000106921553 283287405 /nfs/dbraw/zinc/28/74/05/283287405.db2.gz SVTCPNMLIYPEOF-NWDGAFQWSA-N 0 0 306.428 0.732 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000179281276 199009401 /nfs/dbraw/zinc/00/94/01/199009401.db2.gz YQIBZKDXGGQXRF-CQSZACIVSA-N 0 0 315.373 0.929 10 0 DCAERN CN(CC(=O)N[C@H]1CCCC[C@@H]1CO)c1ncnc2nc[nH]c21 ZINC000179253737 199005562 /nfs/dbraw/zinc/00/55/62/199005562.db2.gz GSQAEVZYBRLBLU-MNOVXSKESA-N 0 0 318.381 0.456 10 0 DCAERN COc1n[nH]c(NC(=O)CCn2cnc3sccc3c2=O)n1 ZINC000179367931 199023596 /nfs/dbraw/zinc/02/35/96/199023596.db2.gz SBKUHFHIAQAKDS-UHFFFAOYSA-N 0 0 320.334 0.614 10 0 DCAERN CCC1(CO)CCN(C(=O)CNC(=O)c2ccccn2)CC1 ZINC000179375080 199024998 /nfs/dbraw/zinc/02/49/98/199024998.db2.gz QEIFDLVZICVYTL-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)c2cnn(CC)c2)CC1 ZINC000179399971 199029203 /nfs/dbraw/zinc/02/92/03/199029203.db2.gz VWZNZQOTRKXEMC-CYBMUJFWSA-N 0 0 308.382 0.001 10 0 DCAERN CCC[C@@H](O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180503630 199168352 /nfs/dbraw/zinc/16/83/52/199168352.db2.gz UMDXZKLTKNQLSC-SNVBAGLBSA-N 0 0 317.349 0.687 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCOC3)cc21 ZINC000180553365 199175080 /nfs/dbraw/zinc/17/50/80/199175080.db2.gz ALQROIWAUXQZHF-ZDUSSCGKSA-N 0 0 303.362 0.913 10 0 DCAERN O=C(NC[C@H]1CCCO1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180976008 199235531 /nfs/dbraw/zinc/23/55/31/199235531.db2.gz FMZBOORDOAQCAG-SNVBAGLBSA-N 0 0 315.333 0.705 10 0 DCAERN CSC[C@@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181209187 199265461 /nfs/dbraw/zinc/26/54/61/199265461.db2.gz WGXXKFVGYWMKFT-SECBINFHSA-N 0 0 319.452 0.757 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@]3(C)CCCO3)C2=O)n(C)n1 ZINC000153615853 237020978 /nfs/dbraw/zinc/02/09/78/237020978.db2.gz OTBWHKLDXCRYDD-NHYWBVRUSA-N 0 0 306.366 0.519 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CC1CCOCC1 ZINC000172994548 237152480 /nfs/dbraw/zinc/15/24/80/237152480.db2.gz LQCZGHBDLPNSDK-GFCCVEGCSA-N 0 0 304.412 0.295 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000174930101 237177392 /nfs/dbraw/zinc/17/73/92/237177392.db2.gz OTEQGMFGDGXIPT-UHFFFAOYSA-N 0 0 309.410 0.716 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)c1ncncc1Cl ZINC000176019134 237194583 /nfs/dbraw/zinc/19/45/83/237194583.db2.gz KXBZCRFOYXCAJG-MRVPVSSYSA-N 0 0 300.771 0.733 10 0 DCAERN Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)n1 ZINC000180304709 237254096 /nfs/dbraw/zinc/25/40/96/237254096.db2.gz JEOXYGTVFZLBQU-NSHDSACASA-N 0 0 311.407 0.804 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)C[C@H](C)O1 ZINC000178561365 237232418 /nfs/dbraw/zinc/23/24/18/237232418.db2.gz JRFUMPFRVTXMQX-TUAOUCFPSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186831010 237327165 /nfs/dbraw/zinc/32/71/65/237327165.db2.gz JTDWTXRZAGEBDK-RYUDHWBXSA-N 0 0 318.377 0.886 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000186912373 237330194 /nfs/dbraw/zinc/33/01/94/237330194.db2.gz QSAOWVMVWDFTQE-IINYFYTJSA-N 0 0 314.345 0.959 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000186969514 237333291 /nfs/dbraw/zinc/33/32/91/237333291.db2.gz CDFTZQXHTGMHMB-MNOVXSKESA-N 0 0 321.343 0.950 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCS[C@@H](C)C1 ZINC000281035653 216036991 /nfs/dbraw/zinc/03/69/91/216036991.db2.gz WWFPZGOQTULEGN-WFASDCNBSA-N 0 0 310.419 0.872 10 0 DCAERN COC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCCC1 ZINC000185444634 237300787 /nfs/dbraw/zinc/30/07/87/237300787.db2.gz UKFOXFIXRUUNSJ-LLVKDONJSA-N 0 0 304.412 0.486 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)N2CCCCCC2)C1 ZINC000187510891 237352449 /nfs/dbraw/zinc/35/24/49/237352449.db2.gz UKQAUSFIFOXGRJ-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2ccccc2F)CCN1CCO ZINC000187742474 237353396 /nfs/dbraw/zinc/35/33/96/237353396.db2.gz DKXBXEFZRVPTAN-ZDUSSCGKSA-N 0 0 309.385 0.440 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1)N1CCN(CCO)[C@H](C)C1 ZINC000187673355 237355660 /nfs/dbraw/zinc/35/56/60/237355660.db2.gz BXOYVEVLGVBIRF-CABCVRRESA-N 0 0 305.422 0.690 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCC3(CCO)CC3)c2=O)s1 ZINC000187918514 237360596 /nfs/dbraw/zinc/36/05/96/237360596.db2.gz UTQNQGBDSIUMIP-UHFFFAOYSA-N 0 0 307.375 0.957 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H](O)C2CCCCC2)C1 ZINC000188040811 237365685 /nfs/dbraw/zinc/36/56/85/237365685.db2.gz VCFXJLBGDVNWQK-RYUDHWBXSA-N 0 0 304.412 0.078 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC000188463738 237372528 /nfs/dbraw/zinc/37/25/28/237372528.db2.gz ZHXKZEDBMZFVFY-GXTWGEPZSA-N 0 0 300.399 0.984 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000187842034 200165384 /nfs/dbraw/zinc/16/53/84/200165384.db2.gz FVPRFMDXZACRDJ-LBPRGKRZSA-N 0 0 323.397 0.369 10 0 DCAERN CC1(CNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CCC1 ZINC000188267335 200219765 /nfs/dbraw/zinc/21/97/65/200219765.db2.gz ZPRHOLKPLGYFHS-UHFFFAOYSA-N 0 0 302.378 0.938 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000195489214 237515219 /nfs/dbraw/zinc/51/52/19/237515219.db2.gz XADZVVACAJPSHO-RNCFNFMXSA-N 0 0 314.345 0.747 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188730635 200295987 /nfs/dbraw/zinc/29/59/87/200295987.db2.gz ICIUJRXDHJRSNL-GFCCVEGCSA-N 0 0 314.407 0.382 10 0 DCAERN Cc1nc(C(=O)NCCCOC[C@H]2CCCO2)c(=O)[nH]c1C ZINC000155865904 291222843 /nfs/dbraw/zinc/22/28/43/291222843.db2.gz WPKBXXFYDAJACF-GFCCVEGCSA-N 0 0 309.366 0.702 10 0 DCAERN COCCc1noc(CN(C)C[C@@H](O)COC(C)(C)C)n1 ZINC000156877623 291226491 /nfs/dbraw/zinc/22/64/91/291226491.db2.gz QGSKHNQPFZQYCH-LLVKDONJSA-N 0 0 301.387 0.866 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000089896027 192899218 /nfs/dbraw/zinc/89/92/18/192899218.db2.gz QXNQCRJQHXVBGR-CMPLNLGQSA-N 0 0 323.397 0.932 10 0 DCAERN Cn1cnn(CC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)c1=O ZINC000275657306 238310321 /nfs/dbraw/zinc/31/03/21/238310321.db2.gz PVWBCZYCSJZPFP-GXTWGEPZSA-N 0 0 317.349 0.013 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1F ZINC000164289501 291247449 /nfs/dbraw/zinc/24/74/49/291247449.db2.gz KVZMRMAAAZHQPT-LBPRGKRZSA-N 0 0 307.325 0.674 10 0 DCAERN CC(=O)NC1CN(c2ncc(I)cn2)C1 ZINC000307689752 291251877 /nfs/dbraw/zinc/25/18/77/291251877.db2.gz GYJDNZYIOYVHMD-UHFFFAOYSA-N 0 0 318.118 0.406 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)c4ccco4)CC3)n2n1 ZINC000328655851 291259976 /nfs/dbraw/zinc/25/99/76/291259976.db2.gz YVJPLNZQRZNOOZ-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN Cc1csc2ncc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c(=O)n12 ZINC000271853624 209269731 /nfs/dbraw/zinc/26/97/31/209269731.db2.gz CNQRKKDDCVXYIV-SECBINFHSA-N 0 0 320.374 0.415 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N[C@H]1CCc2ncnn2C1 ZINC000408355716 239266472 /nfs/dbraw/zinc/26/64/72/239266472.db2.gz NVLMCMPRNRTZHD-MNOVXSKESA-N 0 0 301.354 0.173 10 0 DCAERN CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCCO)C(=O)[O-])cc1 ZINC000006595760 181359243 /nfs/dbraw/zinc/35/92/43/181359243.db2.gz GJABIFYLWPRUEA-CYBMUJFWSA-N 0 0 310.350 0.839 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@]2(CCOC2)C1 ZINC000274480171 296060982 /nfs/dbraw/zinc/06/09/82/296060982.db2.gz RACQCVBWPVCDQG-HOCLYGCPSA-N 0 0 305.330 0.844 10 0 DCAERN COc1cccc(CCNC(=O)NCC2([S@@](C)=O)CC2)n1 ZINC000442106981 240539507 /nfs/dbraw/zinc/53/95/07/240539507.db2.gz CWTYNIHWNYOGMM-OAQYLSRUSA-N 0 0 311.407 0.843 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)CC2CC(O)C2)cc1 ZINC000091489636 193062938 /nfs/dbraw/zinc/06/29/38/193062938.db2.gz OVETUAKLVRQFOL-UHFFFAOYSA-N 0 0 313.375 0.865 10 0 DCAERN COCCN1CCC[C@@]2(CCN(Cc3nncn3C)C2)C1=O ZINC000091663364 193086644 /nfs/dbraw/zinc/08/66/44/193086644.db2.gz AIMSUIMDLLLSOO-HNNXBMFYSA-N 0 0 307.398 0.276 10 0 DCAERN Cc1nn(C)c(CNC[C@@H]2CN(C)CCO2)c1Br ZINC000091670959 193088924 /nfs/dbraw/zinc/08/89/24/193088924.db2.gz CBZGAKQALJUNDA-SNVBAGLBSA-N 0 0 317.231 0.911 10 0 DCAERN Cc1cccc(OCCCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091782384 193107209 /nfs/dbraw/zinc/10/72/09/193107209.db2.gz WEEZXKRUJYZAMF-AWEZNQCLSA-N 0 0 306.362 0.867 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000091784987 193107660 /nfs/dbraw/zinc/10/76/60/193107660.db2.gz WFGVOBPYUQLZOX-NSHDSACASA-N 0 0 316.716 0.571 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000091810823 193110779 /nfs/dbraw/zinc/11/07/79/193110779.db2.gz ANMQWHBBWJZEEJ-ZDUSSCGKSA-N 0 0 302.334 0.139 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCCN2CCOCC2)cn1 ZINC000275311891 212264602 /nfs/dbraw/zinc/26/46/02/212264602.db2.gz OMYYGZAFOIDUMZ-LSDHHAIUSA-N 0 0 322.409 0.429 10 0 DCAERN Cc1ccc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc2c1 ZINC000092230019 193177514 /nfs/dbraw/zinc/17/75/14/193177514.db2.gz ZFWACPWFFYVKAO-CYBMUJFWSA-N 0 0 302.330 0.788 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000569192391 291465884 /nfs/dbraw/zinc/46/58/84/291465884.db2.gz KTAUHFWRNRGDCC-MJBXVCDLSA-N 0 0 323.418 0.863 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000372623485 296142988 /nfs/dbraw/zinc/14/29/88/296142988.db2.gz ANZYWIMMRMJWBV-XJKSGUPXSA-N 0 0 318.373 0.760 10 0 DCAERN CCN(C(=O)CN1CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000077382578 284150948 /nfs/dbraw/zinc/15/09/48/284150948.db2.gz MPTHKBOUDCKAAZ-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCN2CCOC[C@@H]2C1 ZINC000374959894 296153229 /nfs/dbraw/zinc/15/32/29/296153229.db2.gz FGJOKDGVEIFVCZ-DZGCQCFKSA-N 0 0 316.357 0.311 10 0 DCAERN Cc1cnc(C(=O)N2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cn1 ZINC000096082949 193530704 /nfs/dbraw/zinc/53/07/04/193530704.db2.gz QZCMBHDVTNGXAY-AAEUAGOBSA-N 0 0 312.329 0.975 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408260526 284235730 /nfs/dbraw/zinc/23/57/30/284235730.db2.gz VWAOJGNIKKRHBI-LRDDRELGSA-N 0 0 317.393 0.579 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1C(=O)COc1cnn(C)c1)C1CC1 ZINC000569989207 291506845 /nfs/dbraw/zinc/50/68/45/291506845.db2.gz VSWOGYJGBIXRSI-LBPRGKRZSA-N 0 0 324.406 0.321 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000408007075 291507465 /nfs/dbraw/zinc/50/74/65/291507465.db2.gz FSUVYJNFFDNITE-UWVGGRQHSA-N 0 0 308.425 0.654 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC ZINC000264738748 204117713 /nfs/dbraw/zinc/11/77/13/204117713.db2.gz JTDQLZAATJROQN-MNOVXSKESA-N 0 0 313.423 0.352 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1CSCN1C(=O)[C@H](C)CC ZINC000264738745 204118084 /nfs/dbraw/zinc/11/80/84/204118084.db2.gz JTDQLZAATJROQN-GHMZBOCLSA-N 0 0 313.423 0.352 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000264747993 204125596 /nfs/dbraw/zinc/12/55/96/204125596.db2.gz LZYIMPZZAQGTLV-SNVBAGLBSA-N 0 0 319.408 0.093 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000282652427 217154215 /nfs/dbraw/zinc/15/42/15/217154215.db2.gz UUBDQMHFNLNXIR-XCBNKYQSSA-N 0 0 304.318 0.910 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)[C@H]1CCC(=O)NC1 ZINC000571972616 291541732 /nfs/dbraw/zinc/54/17/32/291541732.db2.gz MGWYVCSSEUANBF-NWDGAFQWSA-N 0 0 304.346 0.859 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000282721810 217201315 /nfs/dbraw/zinc/20/13/15/217201315.db2.gz ZHQYOKUZTFRBOG-CABZTGNLSA-N 0 0 300.355 0.912 10 0 DCAERN CCCN(CC1CC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000017180247 182079492 /nfs/dbraw/zinc/07/94/92/182079492.db2.gz RMXAZVFKWKMABE-UHFFFAOYSA-N 0 0 303.366 0.779 10 0 DCAERN CC(C)c1nnc(CCC(=O)NC[C@H](C)N2CCOCC2)o1 ZINC000019714097 182137918 /nfs/dbraw/zinc/13/79/18/182137918.db2.gz JOLZHKAMMKSNAT-LBPRGKRZSA-N 0 0 310.398 0.963 10 0 DCAERN Cc1ncc(C(=O)N2CC(C(=O)N3CCOCC3)C2)c(C)n1 ZINC000019745222 182142433 /nfs/dbraw/zinc/14/24/33/182142433.db2.gz LJKVIQOOLDCUSN-UHFFFAOYSA-N 0 0 304.350 0.024 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3CCO[C@@H](CCO)C3)cc2C1=O ZINC000020639000 182241543 /nfs/dbraw/zinc/24/15/43/182241543.db2.gz XWJJFAMIYWCSBB-NSHDSACASA-N 0 0 318.329 0.136 10 0 DCAERN C[C@H](NC(=O)[C@H](C)N1CCN(CCO)CC1)c1ccccc1 ZINC000022944507 182343595 /nfs/dbraw/zinc/34/35/95/182343595.db2.gz AKCAJOOUJVKAEH-GJZGRUSLSA-N 0 0 305.422 0.862 10 0 DCAERN CC1(C)[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)[C@H]2CCO[C@H]21 ZINC000573396632 291629676 /nfs/dbraw/zinc/62/96/76/291629676.db2.gz HMYVXKIDQPLKNJ-JHJVBQTASA-N 0 0 322.405 0.555 10 0 DCAERN CC(=O)N(Cc1ccccc1)c1c(N)n(C)c(=O)n(C)c1=O ZINC000039125341 183013971 /nfs/dbraw/zinc/01/39/71/183013971.db2.gz VEBNEWLMJKYVQG-UHFFFAOYSA-N 0 0 302.334 0.219 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192809324 296260503 /nfs/dbraw/zinc/26/05/03/296260503.db2.gz SSWCKJDGTQYKNE-LLVKDONJSA-N 0 0 314.382 0.810 10 0 DCAERN CCCCOCCNS(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000040507488 183085373 /nfs/dbraw/zinc/08/53/73/183085373.db2.gz NZPCVZFTMGQBGF-UHFFFAOYSA-N 0 0 319.383 0.681 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCC2)s1 ZINC000041248332 183181666 /nfs/dbraw/zinc/18/16/66/183181666.db2.gz HTVOWHLAHRJXHC-JTQLQIEISA-N 0 0 318.420 0.582 10 0 DCAERN COC[C@H](O)CN(C)C(=O)c1cc(Br)cn1C ZINC000042483928 183276165 /nfs/dbraw/zinc/27/61/65/183276165.db2.gz WATLGSMMAZFINO-SECBINFHSA-N 0 0 305.172 0.867 10 0 DCAERN CC(=O)Nc1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104787028 194039712 /nfs/dbraw/zinc/03/97/12/194039712.db2.gz QUWMXIJHSAUBSU-HNNXBMFYSA-N 0 0 320.393 0.775 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCCNc2ccccn2)C1 ZINC000104797593 194042388 /nfs/dbraw/zinc/04/23/88/194042388.db2.gz SWWXWTJPRHZZQF-CYBMUJFWSA-N 0 0 307.398 0.513 10 0 DCAERN O=C(NCc1ccc(-n2cccn2)cc1)N1CCNC(=O)CC1 ZINC000105138900 194077720 /nfs/dbraw/zinc/07/77/20/194077720.db2.gz ZSIADQMKTIDFJS-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN Cc1cc(NC(=O)NC[C@@H](C)N2CCOCC2)ccc1C(N)=O ZINC000105344857 194099288 /nfs/dbraw/zinc/09/92/88/194099288.db2.gz SBLORGOEFZUVDQ-GFCCVEGCSA-N 0 0 320.393 0.936 10 0 DCAERN CN(C)C(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105280186 194092056 /nfs/dbraw/zinc/09/20/56/194092056.db2.gz XFMTTWBPAUHGDT-AWEZNQCLSA-N 0 0 320.393 0.841 10 0 DCAERN CCOC(=O)c1cnc2nc(C)ccc2c1N(CCO)CCO ZINC000047157949 183582187 /nfs/dbraw/zinc/58/21/87/183582187.db2.gz KEIFXMUCNCTQLO-UHFFFAOYSA-N 0 0 319.361 0.906 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)C3=COCCO3)CC2)cn1 ZINC000105828793 194140688 /nfs/dbraw/zinc/14/06/88/194140688.db2.gz BVGLYZPXNPZKAL-UHFFFAOYSA-N 0 0 320.393 0.826 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811289 194135096 /nfs/dbraw/zinc/13/50/96/194135096.db2.gz DLPZDOBXVPOGOK-CQSZACIVSA-N 0 0 322.409 0.957 10 0 DCAERN COCCOCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105816533 194135881 /nfs/dbraw/zinc/13/58/81/194135881.db2.gz VOTMBIDIOYHZLH-UHFFFAOYSA-N 0 0 322.409 0.957 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105867799 194150448 /nfs/dbraw/zinc/15/04/48/194150448.db2.gz LORHSRCNNMYTHR-UHFFFAOYSA-N 0 0 319.409 0.822 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000105916716 194169473 /nfs/dbraw/zinc/16/94/73/194169473.db2.gz KGSUCTSSKVTMBB-AWEZNQCLSA-N 0 0 307.442 0.631 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000106429630 194212518 /nfs/dbraw/zinc/21/25/18/194212518.db2.gz SBDNEYWVBNELFX-KBPBESRZSA-N 0 0 310.419 0.463 10 0 DCAERN CCNC(=O)NC(=O)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814601 194289826 /nfs/dbraw/zinc/28/98/26/194289826.db2.gz CROWIYQORCZDST-ZDUSSCGKSA-N 0 0 318.377 0.569 10 0 DCAERN CCOC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000110537478 194337741 /nfs/dbraw/zinc/33/77/41/194337741.db2.gz MHGSPGDMVTWHEQ-CQSZACIVSA-N 0 0 318.373 0.757 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1nncn1C1CC1 ZINC000110733819 194354472 /nfs/dbraw/zinc/35/44/72/194354472.db2.gz IHQMRCXFGQFSFA-UHFFFAOYSA-N 0 0 312.333 0.572 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408012897 296317925 /nfs/dbraw/zinc/31/79/25/296317925.db2.gz PJEOMWVVTVEZKT-IJLUTSLNSA-N 0 0 303.428 0.691 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)CCn3cncn3)CCO2)c1 ZINC000112060822 194427983 /nfs/dbraw/zinc/42/79/83/194427983.db2.gz KFOIKMIOLOJYBM-CYBMUJFWSA-N 0 0 304.354 0.101 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N(C)CCc1ccc(F)cc1 ZINC000056986893 184023684 /nfs/dbraw/zinc/02/36/84/184023684.db2.gz OETBOTCECZYBEI-UHFFFAOYSA-N 0 0 309.341 0.079 10 0 DCAERN NC(=S)c1ccccc1S(=O)(=O)NC[C@H]1CCOC1 ZINC000061147220 184162883 /nfs/dbraw/zinc/16/28/83/184162883.db2.gz QHCMCKHOPWPYOK-SECBINFHSA-N 0 0 300.405 0.636 10 0 DCAERN O=C1[C@H]2COCCN2C(=O)N1[C@@H]1CCN(c2ccccc2)C1 ZINC000272120736 285009541 /nfs/dbraw/zinc/00/95/41/285009541.db2.gz SENVPSMTTCGGSZ-ZIAGYGMSSA-N 0 0 301.346 0.928 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[nH]1 ZINC000333158513 252689444 /nfs/dbraw/zinc/68/94/44/252689444.db2.gz NAPKYYAFKSVCJF-VIFPVBQESA-N 0 0 323.378 0.030 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@](C)(F)C2)nn1 ZINC000333628411 252745571 /nfs/dbraw/zinc/74/55/71/252745571.db2.gz VIVXUQMZBONTOV-BZPMIXESSA-N 0 0 312.345 0.829 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2(O)CCOCC2)C1 ZINC000333764181 252761172 /nfs/dbraw/zinc/76/11/72/252761172.db2.gz WFVAXDOAQKALNV-LBPRGKRZSA-N 0 0 308.382 0.047 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2nnc(C(C)C)s2)C1 ZINC000286133036 218807340 /nfs/dbraw/zinc/80/73/40/218807340.db2.gz KEJOKJAVFIWXMB-ZDUSSCGKSA-N 0 0 312.395 0.973 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000408335947 291856094 /nfs/dbraw/zinc/85/60/94/291856094.db2.gz KONVBGMSYITLKM-NWDGAFQWSA-N 0 0 317.407 0.770 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000340596655 253282404 /nfs/dbraw/zinc/28/24/04/253282404.db2.gz OWBXTBZTHJLHOX-HLTSFMKQSA-N 0 0 320.333 0.243 10 0 DCAERN Cn1nc(C(C)(C)C)cc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286467627 219004186 /nfs/dbraw/zinc/00/41/86/219004186.db2.gz VHYKJJLCVFRESV-MNOVXSKESA-N 0 0 319.409 0.956 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC(C)(C)c1c(C)noc1C ZINC000344064817 253742190 /nfs/dbraw/zinc/74/21/90/253742190.db2.gz QXXFKAKMQHQCNL-VXGBXAGGSA-N 0 0 309.366 0.624 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000346565633 254069070 /nfs/dbraw/zinc/06/90/70/254069070.db2.gz GGPBKZUCZFHYOZ-MRXNPFEDSA-N 0 0 318.352 0.824 10 0 DCAERN C[C@@](O)(CNC(=O)c1ccc(Cl)cn1)CN1CCOCC1 ZINC000176490487 220450955 /nfs/dbraw/zinc/45/09/55/220450955.db2.gz VNNXFJMCMBSXSH-CQSZACIVSA-N 0 0 313.785 0.548 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1C[C@H](F)C[C@@H]1C(N)=O ZINC000347382696 254152740 /nfs/dbraw/zinc/15/27/40/254152740.db2.gz XCDNKIGIRNFRDA-NOZJJQNGSA-N 0 0 310.373 0.512 10 0 DCAERN CN(CC1(CO)CC1)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000187212976 220457632 /nfs/dbraw/zinc/45/76/32/220457632.db2.gz IIKYQZQLCSFGEE-ZDUSSCGKSA-N 0 0 321.425 0.803 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187231130 220458117 /nfs/dbraw/zinc/45/81/17/220458117.db2.gz QVVZIWFJQMFQRN-UHFFFAOYSA-N 0 0 308.386 0.076 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000174001110 296395758 /nfs/dbraw/zinc/39/57/58/296395758.db2.gz IQPMREJRBKJFDJ-KGLIPLIRSA-N 0 0 317.455 0.370 10 0 DCAERN C[C@H](CNC(=O)c1cncc(Br)c1)S(N)(=O)=O ZINC000350618983 254319317 /nfs/dbraw/zinc/31/93/17/254319317.db2.gz GPLIYHFRVVAZLM-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)c(C)c1 ZINC000350622192 254320102 /nfs/dbraw/zinc/32/01/02/254320102.db2.gz YMTAKOHESIRHRV-LLVKDONJSA-N 0 0 300.380 0.475 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CSc2ccccc21)S(N)(=O)=O ZINC000350621826 254320343 /nfs/dbraw/zinc/32/03/43/254320343.db2.gz VOEHKHGBPZPCKA-WPRPVWTQSA-N 0 0 300.405 0.669 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000351630487 254354226 /nfs/dbraw/zinc/35/42/26/254354226.db2.gz CCSCNLIGMBKYCE-BKGLOODYSA-N 0 0 323.397 0.886 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCCCO ZINC000351783385 254367909 /nfs/dbraw/zinc/36/79/09/254367909.db2.gz LSDVLUPQKCBFGK-LBPRGKRZSA-N 0 0 306.428 0.422 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2cccc(Cl)c2)n1 ZINC000158282589 533183730 /nfs/dbraw/zinc/18/37/30/533183730.db2.gz AKMASLMBUGNGCP-UHFFFAOYSA-N 0 0 309.713 0.835 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000120542657 195187888 /nfs/dbraw/zinc/18/78/88/195187888.db2.gz CKAWDEWIVSGPEN-ZDUSSCGKSA-N 0 0 304.346 0.856 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[C@@H](C)O)cc1 ZINC000120743186 195228950 /nfs/dbraw/zinc/22/89/50/195228950.db2.gz FZWANTSFDBATLR-GHMZBOCLSA-N 0 0 314.407 0.732 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@](C)(O)C3)C2)n(C)n1 ZINC000278437533 291935185 /nfs/dbraw/zinc/93/51/85/291935185.db2.gz VDXIAOMSFPMHCZ-BBRMVZONSA-N 0 0 321.425 0.864 10 0 DCAERN Cc1nc2ccc(NC(=O)N3CC(=O)N(C)[C@H](C)C3)cn2n1 ZINC000289716456 221174990 /nfs/dbraw/zinc/17/49/90/221174990.db2.gz PFCOSQMUNAMFJC-SECBINFHSA-N 0 0 302.338 0.732 10 0 DCAERN C[N@@H+]1C[C@@H]2CN(C(=O)c3cccs3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000248115509 257108230 /nfs/dbraw/zinc/10/82/30/257108230.db2.gz IMIZGBVOCAEMHQ-NWDGAFQWSA-N 0 0 323.418 0.521 10 0 DCAERN CC1=N[C@]2(CC[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]32)C(=O)N1C ZINC000248070386 257109790 /nfs/dbraw/zinc/10/97/90/257109790.db2.gz XJEARYOJSLLNLD-SUHUHFCYSA-N 0 0 311.407 0.450 10 0 DCAERN CC(C)NC(=O)[C@H]1CN(c2ncc(F)cn2)Cc2ncn(C)c21 ZINC000248060386 257111246 /nfs/dbraw/zinc/11/12/46/257111246.db2.gz UOCHIGQFTBWMEE-NSHDSACASA-N 0 0 318.356 0.978 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000247955448 257114309 /nfs/dbraw/zinc/11/43/09/257114309.db2.gz NYDZOIPVIRLKEA-UONOGXRCSA-N 0 0 321.352 0.097 10 0 DCAERN O=C(c1cnccn1)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000247813021 257116873 /nfs/dbraw/zinc/11/68/73/257116873.db2.gz BQGZEBZXXCBSIJ-UONOGXRCSA-N 0 0 323.356 0.602 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCC1(CO)CCC1 ZINC000331891933 533405737 /nfs/dbraw/zinc/40/57/37/533405737.db2.gz AKVDXIOLYPAGIO-WDEREUQCSA-N 0 0 305.396 0.410 10 0 DCAERN COc1ccc(CNC(=O)CN2CC[C@H](C)C[C@H]2C(N)=O)cc1 ZINC000187423971 533581572 /nfs/dbraw/zinc/58/15/72/533581572.db2.gz RKPLOIQOCUIXDW-WFASDCNBSA-N 0 0 319.405 0.897 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000155376878 533650933 /nfs/dbraw/zinc/65/09/33/533650933.db2.gz FEAIZQOSXGOEIG-GFCCVEGCSA-N 0 0 302.440 0.754 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000283619238 131008224 /nfs/dbraw/zinc/00/82/24/131008224.db2.gz AITKGKHSXIIUJV-NSHDSACASA-N 0 0 306.370 0.120 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000284053006 131044301 /nfs/dbraw/zinc/04/43/01/131044301.db2.gz KJXJTEYLOVFEET-UHFFFAOYSA-N 0 0 306.366 0.208 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000284395574 131077297 /nfs/dbraw/zinc/07/72/97/131077297.db2.gz BVIWPYVKXAHERJ-NXEZZACHSA-N 0 0 300.355 0.876 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000284417547 131079372 /nfs/dbraw/zinc/07/93/72/131079372.db2.gz COQSMDURRNJEQH-JTQLQIEISA-N 0 0 300.244 0.711 10 0 DCAERN COc1nc(N2C[C@@H](C)[C@H](C(N)=O)C2)ncc1Br ZINC000284475828 131084274 /nfs/dbraw/zinc/08/42/74/131084274.db2.gz BKJCYVBJKZICGN-RNFRBKRXSA-N 0 0 315.171 0.805 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(=O)[nH]1 ZINC000284530801 131089947 /nfs/dbraw/zinc/08/99/47/131089947.db2.gz PBDZHBSBQMJYCU-STQMWFEESA-N 0 0 305.378 0.949 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnc3ccccc3n2)C1 ZINC000284593810 131094970 /nfs/dbraw/zinc/09/49/70/131094970.db2.gz MOFHSSLDSNSZAH-ZANVPECISA-N 0 0 300.318 0.345 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000284634902 131099118 /nfs/dbraw/zinc/09/91/18/131099118.db2.gz NNCCFPTZCHQTPP-HNNXBMFYSA-N 0 0 305.382 0.284 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)sc1C ZINC000284888742 131119928 /nfs/dbraw/zinc/11/99/28/131119928.db2.gz ZVIJCTBNSDHOTK-KCJUWKMLSA-N 0 0 318.420 0.628 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000285592969 131184532 /nfs/dbraw/zinc/18/45/32/131184532.db2.gz CBBUYBIZSVOPGN-HNNXBMFYSA-N 0 0 306.318 0.727 10 0 DCAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285641892 131189123 /nfs/dbraw/zinc/18/91/23/131189123.db2.gz UAQFJRKACYUJIF-KRWDZBQOSA-N 0 0 320.389 0.855 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000121071289 132152072 /nfs/dbraw/zinc/15/20/72/132152072.db2.gz HIBDABOMQSROFK-DGCLKSJQSA-N 0 0 322.409 0.041 10 0 DCAERN C[C@H]1CCSCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408336339 300028311 /nfs/dbraw/zinc/02/83/11/300028311.db2.gz MZMDVEMYRWXERS-JTQLQIEISA-N 0 0 315.482 0.578 10 0 DCAERN CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C ZINC000013637066 395688829 /nfs/dbraw/zinc/68/88/29/395688829.db2.gz MLQNAOVBWCCFGU-CYBMUJFWSA-N 0 0 322.409 0.870 10 0 DCAERN CCNC(=O)CN(CC)C(=O)Cn1cnc2ccccc2c1=O ZINC000008152420 395684110 /nfs/dbraw/zinc/68/41/10/395684110.db2.gz WNJPLNBJVUULMH-UHFFFAOYSA-N 0 0 316.361 0.381 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684788 395701646 /nfs/dbraw/zinc/70/16/46/395701646.db2.gz JVLNMAMFVPNCOD-JQWIXIFHSA-N 0 0 312.391 0.940 10 0 DCAERN C[C@H]1CCC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000032029857 395708970 /nfs/dbraw/zinc/70/89/70/395708970.db2.gz LJRXZAYLDMPIDH-QWRGUYRKSA-N 0 0 303.366 0.825 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1O ZINC000089410732 395710944 /nfs/dbraw/zinc/71/09/44/395710944.db2.gz XXIGHCKBVSQCOV-ZWNOBZJWSA-N 0 0 302.334 0.021 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](C)[C@H](O)C3)nc2n1 ZINC000089429735 395711674 /nfs/dbraw/zinc/71/16/74/395711674.db2.gz SUVQNTALRGGMQN-BXKDBHETSA-N 0 0 303.366 0.513 10 0 DCAERN CC(=O)Nc1nc(C(=O)NCCCN2CCCC2=O)cs1 ZINC000032645550 395711971 /nfs/dbraw/zinc/71/19/71/395711971.db2.gz DRPCCRFMXFUDPH-UHFFFAOYSA-N 0 0 310.379 0.844 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000032819131 395713734 /nfs/dbraw/zinc/71/37/34/395713734.db2.gz UQTRJNVCMFLIDB-LLVKDONJSA-N 0 0 300.305 0.388 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093969405 395739554 /nfs/dbraw/zinc/73/95/54/395739554.db2.gz LIMQLCWUICMLBW-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](C(N)=O)C3)CC2=O)cc1 ZINC000041127354 395735764 /nfs/dbraw/zinc/73/57/64/395735764.db2.gz PVUONSIGMHHOOI-STQMWFEESA-N 0 0 315.373 0.682 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000095975835 395741108 /nfs/dbraw/zinc/74/11/08/395741108.db2.gz BOFQJGOAJTUYSV-VHSXEESVSA-N 0 0 305.382 0.581 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)N1CCOCC1 ZINC000042159257 395743512 /nfs/dbraw/zinc/74/35/12/395743512.db2.gz NUQMPCICVYPETF-CHWSQXEVSA-N 0 0 305.444 0.273 10 0 DCAERN CNC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000044351848 395756294 /nfs/dbraw/zinc/75/62/94/395756294.db2.gz QVQRIUCFQNKMPQ-UHFFFAOYSA-N 0 0 316.770 0.402 10 0 DCAERN COC(=O)C1(NC(=O)[C@@H]2CCS(=O)(=O)C2)CCC(C)CC1 ZINC000046823689 395779962 /nfs/dbraw/zinc/77/99/62/395779962.db2.gz XZKIVJPSARLSIU-IQLKVPPVSA-N 0 0 317.407 0.659 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000193926371 395782652 /nfs/dbraw/zinc/78/26/52/395782652.db2.gz SUMZGQIGOZFLOR-QWRGUYRKSA-N 0 0 314.411 0.016 10 0 DCAERN Cc1cc(CS(=O)(=O)NC[C@@](C)(O)C(F)(F)F)no1 ZINC000270554409 395782711 /nfs/dbraw/zinc/78/27/11/395782711.db2.gz NJZGLLDUJDQFPQ-MRVPVSSYSA-N 0 0 302.274 0.716 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(=O)N(C)C ZINC000046970201 395783879 /nfs/dbraw/zinc/78/38/79/395783879.db2.gz PDHXUZZVBJBAKE-RYUDHWBXSA-N 0 0 320.397 0.221 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)c1cccc2ncccc21 ZINC000108283408 395787956 /nfs/dbraw/zinc/78/79/56/395787956.db2.gz JHBVPAZAAIPORW-UHFFFAOYSA-N 0 0 312.329 0.907 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCC2=O)c1 ZINC000194114087 395788556 /nfs/dbraw/zinc/78/85/56/395788556.db2.gz BEEXNYAWFNJRSU-LLVKDONJSA-N 0 0 310.375 0.694 10 0 DCAERN COc1ccc(CNC(=O)CNC(N)=O)c(C(F)(F)F)c1 ZINC000102478452 395770529 /nfs/dbraw/zinc/77/05/29/395770529.db2.gz GZTUEVPMRZBCHP-UHFFFAOYSA-N 0 0 305.256 0.999 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000103979352 395776263 /nfs/dbraw/zinc/77/62/63/395776263.db2.gz OSSQIEGHNZCUMB-SVKHLYGUSA-N 0 0 305.378 0.887 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194637396 395803769 /nfs/dbraw/zinc/80/37/69/395803769.db2.gz HGZQNWBGESJDMD-TZMCWYRMSA-N 0 0 320.393 0.643 10 0 DCAERN COCCN(C)S(=O)(=O)NCCOc1ccc(F)cc1F ZINC000111341106 395807348 /nfs/dbraw/zinc/80/73/48/395807348.db2.gz NTRXEZOBCYGLMB-UHFFFAOYSA-N 0 0 324.349 0.756 10 0 DCAERN Cn1cc(NC(=O)NCCNC(=O)c2cccnc2)ccc1=O ZINC000194786011 395807956 /nfs/dbraw/zinc/80/79/56/395807956.db2.gz LFDPVCHAGVGABO-UHFFFAOYSA-N 0 0 315.333 0.332 10 0 DCAERN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CNC(=O)C1 ZINC000194777891 395807999 /nfs/dbraw/zinc/80/79/99/395807999.db2.gz YSFFIVRBBOTYOV-AAEUAGOBSA-N 0 0 313.361 0.923 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CNC(=O)C1 ZINC000194862009 395810184 /nfs/dbraw/zinc/81/01/84/395810184.db2.gz NQFIBRODYQJJTQ-ZDUSSCGKSA-N 0 0 315.373 0.544 10 0 DCAERN Cn1c2ccccc2n(CCC(=O)N2CCNC(=O)CC2)c1=O ZINC000194961623 395812610 /nfs/dbraw/zinc/81/26/10/395812610.db2.gz WYVXPGWUPTVUMB-UHFFFAOYSA-N 0 0 316.361 0.079 10 0 DCAERN O=C(NCCCCO)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000195010945 395813152 /nfs/dbraw/zinc/81/31/52/395813152.db2.gz HMKIJMPGHWQTAQ-CYBMUJFWSA-N 0 0 306.362 0.886 10 0 DCAERN Cc1noc(NC(=O)Cn2c(=O)onc2-c2ccncc2)n1 ZINC000195102248 395815956 /nfs/dbraw/zinc/81/59/56/395815956.db2.gz BEEQKASFGWIUFX-UHFFFAOYSA-N 0 0 302.250 0.228 10 0 DCAERN CC1(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)COC1 ZINC000112616265 395819659 /nfs/dbraw/zinc/81/96/59/395819659.db2.gz PVOPYFILMRGMSW-UHFFFAOYSA-N 0 0 324.402 0.894 10 0 DCAERN CC1(CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)COC1 ZINC000112622446 395820184 /nfs/dbraw/zinc/82/01/84/395820184.db2.gz AVROZDCPGVUJEA-UHFFFAOYSA-N 0 0 324.402 0.894 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195410906 395826328 /nfs/dbraw/zinc/82/63/28/395826328.db2.gz LVCXUSBKDJZBFG-UHFFFAOYSA-N 0 0 315.439 0.109 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000049062904 395827597 /nfs/dbraw/zinc/82/75/97/395827597.db2.gz XXRIFFWTHKEIFA-UHFFFAOYSA-N 0 0 320.411 0.070 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)c1coc(Br)c1 ZINC000113192398 395828455 /nfs/dbraw/zinc/82/84/55/395828455.db2.gz DZSAHTFPCXSHKR-UHFFFAOYSA-N 0 0 316.111 0.324 10 0 DCAERN C[C@@H](NC(=O)CN1CCC(c2ccnn2C)CC1)C(=O)N(C)C ZINC000195504134 395829568 /nfs/dbraw/zinc/82/95/68/395829568.db2.gz YJEYLVWYUYRETP-GFCCVEGCSA-N 0 0 321.425 0.192 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)no1 ZINC000195517798 395830767 /nfs/dbraw/zinc/83/07/67/395830767.db2.gz WWGFLAMWGJEVIG-ZDUSSCGKSA-N 0 0 308.382 0.491 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2nncs2)C1 ZINC000195520212 395831756 /nfs/dbraw/zinc/83/17/56/395831756.db2.gz USJXNZYQNFYAHB-JTQLQIEISA-N 0 0 321.410 0.968 10 0 DCAERN C[C@H](CNC(=O)NC[C@@](C)(O)c1ccccc1)N1CCOCC1 ZINC000114518387 395835522 /nfs/dbraw/zinc/83/55/22/395835522.db2.gz CGSUXVHDYVMXGF-RHSMWYFYSA-N 0 0 321.421 0.914 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1nccnc1N ZINC000114689638 395836183 /nfs/dbraw/zinc/83/61/83/395836183.db2.gz YRXLKPWIDBZJOD-GFCCVEGCSA-N 0 0 313.361 0.488 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000114869589 395837639 /nfs/dbraw/zinc/83/76/39/395837639.db2.gz HUHWLLKSXAMAOJ-NSHDSACASA-N 0 0 311.349 0.628 10 0 DCAERN NS(=O)(=O)c1ccc(NC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000116884300 395847932 /nfs/dbraw/zinc/84/79/32/395847932.db2.gz PNYDNHVFMYKVHP-QMMMGPOBSA-N 0 0 305.787 0.388 10 0 DCAERN COc1ccc(OCCN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116891886 395848903 /nfs/dbraw/zinc/84/89/03/395848903.db2.gz YBRMAIPVZBDELW-GFCCVEGCSA-N 0 0 314.407 0.698 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nn2cnc3ccccc32)C1 ZINC000116934681 395849407 /nfs/dbraw/zinc/84/94/07/395849407.db2.gz OWQBQKBDHAKYMN-JTQLQIEISA-N 0 0 323.378 0.323 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000116904255 395849820 /nfs/dbraw/zinc/84/98/20/395849820.db2.gz PNPUFPRKIYFHDT-SNVBAGLBSA-N 0 0 322.383 0.138 10 0 DCAERN O=C(c1ccc(=O)[nH]n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000221955427 395851216 /nfs/dbraw/zinc/85/12/16/395851216.db2.gz GJHZAVXOFMSYOU-MNOVXSKESA-N 0 0 309.391 0.897 10 0 DCAERN CC(C)(CNC(=O)CN1CC(=O)NC1=O)Cc1ccccc1 ZINC000117425475 395853115 /nfs/dbraw/zinc/85/31/15/395853115.db2.gz DNGQCDSNATZOPL-UHFFFAOYSA-N 0 0 303.362 0.923 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccnc(OC)c2)C[C@H]1C ZINC000117474576 395853326 /nfs/dbraw/zinc/85/33/26/395853326.db2.gz KHPMQBYXOQVMHT-CYBMUJFWSA-N 0 0 322.409 0.952 10 0 DCAERN Cc1cnn(CCNC(=O)c2cnc3cc(C)ccn3c2=O)c1 ZINC000117818594 395855357 /nfs/dbraw/zinc/85/53/57/395855357.db2.gz IJCQDEAFPNMYTN-UHFFFAOYSA-N 0 0 311.345 0.938 10 0 DCAERN Cc1oc2ncnc(NC(=O)CN(C)S(C)(=O)=O)c2c1C ZINC000118198360 395861258 /nfs/dbraw/zinc/86/12/58/395861258.db2.gz WEZXKPSNNUGRLU-UHFFFAOYSA-N 0 0 312.351 0.670 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109088105 395796413 /nfs/dbraw/zinc/79/64/13/395796413.db2.gz AOUJISYFRAMVMH-IUCAKERBSA-N 0 0 304.318 0.473 10 0 DCAERN COc1ccc(-c2noc(CCSc3nnnn3C)n2)cn1 ZINC000109591530 395797977 /nfs/dbraw/zinc/79/79/77/395797977.db2.gz MCYGVWDXIUJYTA-UHFFFAOYSA-N 0 0 319.350 0.999 10 0 DCAERN Cc1n[nH]cc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000194538835 395798785 /nfs/dbraw/zinc/79/87/85/395798785.db2.gz SKWMCHHRLBFMSA-LBPRGKRZSA-N 0 0 306.366 0.429 10 0 DCAERN C(c1nnnn1C1CC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000109820780 395799356 /nfs/dbraw/zinc/79/93/56/395799356.db2.gz PQPFMSVDWWNTHF-AWEZNQCLSA-N 0 0 306.414 0.695 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194608464 395801581 /nfs/dbraw/zinc/80/15/81/395801581.db2.gz FBSBNELHNBKEHI-ZDUSSCGKSA-N 0 0 317.393 0.715 10 0 DCAERN CC[S@](=O)c1ccccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194615576 395801788 /nfs/dbraw/zinc/80/17/88/395801788.db2.gz CJIMGCZDBSLQDU-GTJPDFRWSA-N 0 0 310.419 0.875 10 0 DCAERN Cc1cccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000123754389 395896406 /nfs/dbraw/zinc/89/64/06/395896406.db2.gz VPNKIUUIMOPUOY-UHFFFAOYSA-N 0 0 312.395 0.177 10 0 DCAERN CNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C(=O)OC)C2)cc1 ZINC000123785032 395897272 /nfs/dbraw/zinc/89/72/72/395897272.db2.gz JCPNEHABBLAIOQ-RISCZKNCSA-N 0 0 306.362 0.809 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@@H]1COCCN1)Cc1cccc(C)c1 ZINC000237082521 395902189 /nfs/dbraw/zinc/90/21/89/395902189.db2.gz AYENCOKIMZXDFD-CABCVRRESA-N 0 0 320.389 0.431 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@@H]1COCCN1)Cc1cccc(C)c1 ZINC000237112687 395903057 /nfs/dbraw/zinc/90/30/57/395903057.db2.gz AYENCOKIMZXDFD-GJZGRUSLSA-N 0 0 320.389 0.431 10 0 DCAERN C[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000125867043 395907902 /nfs/dbraw/zinc/90/79/02/395907902.db2.gz LQMBZSJGGMGEPH-ZJUUUORDSA-N 0 0 318.370 0.380 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000126712370 395913327 /nfs/dbraw/zinc/91/33/27/395913327.db2.gz DPGUVYXBJSQKJK-NXEZZACHSA-N 0 0 316.379 0.337 10 0 DCAERN NC(=O)NCCNc1ncc(I)cn1 ZINC000128000050 395916699 /nfs/dbraw/zinc/91/66/99/395916699.db2.gz QZTDTZTUDRJAAC-UHFFFAOYSA-N 0 0 307.095 0.161 10 0 DCAERN CCOC(=O)CN(C)C(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128095383 395917631 /nfs/dbraw/zinc/91/76/31/395917631.db2.gz DGYIORXSEQFQKC-KBPBESRZSA-N 0 0 322.409 0.978 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000131904659 395925568 /nfs/dbraw/zinc/92/55/68/395925568.db2.gz ULMJTHLCQKUTBC-UONOGXRCSA-N 0 0 310.442 0.187 10 0 DCAERN Cn1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1=O ZINC000118670772 395863129 /nfs/dbraw/zinc/86/31/29/395863129.db2.gz PKDCPVATOSUEPS-CYBMUJFWSA-N 0 0 313.361 0.574 10 0 DCAERN COc1ccc(CN2C[C@H](C(=O)NCC[C@@H](C)O)CC2=O)cc1 ZINC000118720690 395863760 /nfs/dbraw/zinc/86/37/60/395863760.db2.gz RDESDNGJGHBCLB-TZMCWYRMSA-N 0 0 320.389 0.931 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000119164541 395867918 /nfs/dbraw/zinc/86/79/18/395867918.db2.gz FWUDGWXMTKJSGQ-GFCCVEGCSA-N 0 0 323.441 0.675 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)CC2)c1 ZINC000119752908 395875019 /nfs/dbraw/zinc/87/50/19/395875019.db2.gz JELBDKNWULHIQR-UHFFFAOYSA-N 0 0 310.375 0.442 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000119816219 395876422 /nfs/dbraw/zinc/87/64/22/395876422.db2.gz PWNLXPOAVLXHRN-ZDUSSCGKSA-N 0 0 318.377 0.329 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c1Cl ZINC000230149578 395878649 /nfs/dbraw/zinc/87/86/49/395878649.db2.gz PJFFVZUSZCYSAV-RKDXNWHRSA-N 0 0 307.803 0.903 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@H]2CCOC2)cs1 ZINC000230168905 395878984 /nfs/dbraw/zinc/87/89/84/395878984.db2.gz JAVNLMVSPMFSMC-QMMMGPOBSA-N 0 0 304.393 0.552 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000053380108 395881405 /nfs/dbraw/zinc/88/14/05/395881405.db2.gz XKALFBFDQCATJV-KBPBESRZSA-N 0 0 314.345 0.571 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000230833816 395882328 /nfs/dbraw/zinc/88/23/28/395882328.db2.gz CNUUUOLMINFJLI-QMMMGPOBSA-N 0 0 323.802 0.234 10 0 DCAERN CN(C)S(=O)(=O)CCNc1ncncc1Br ZINC000231012001 395883782 /nfs/dbraw/zinc/88/37/82/395883782.db2.gz PCRXRYLBDALSHQ-UHFFFAOYSA-N 0 0 309.189 0.542 10 0 DCAERN O=C(CN1CCCN(C(=O)C2CC2)CC1)Nc1ccncc1 ZINC000121182518 395883935 /nfs/dbraw/zinc/88/39/35/395883935.db2.gz WDBCZMNRRCBFSV-UHFFFAOYSA-N 0 0 302.378 0.964 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000245684625 395934261 /nfs/dbraw/zinc/93/42/61/395934261.db2.gz AEBTXVAABHIQMB-AUTRQRHGSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000245673538 395934428 /nfs/dbraw/zinc/93/44/28/395934428.db2.gz FKGFTKOUGKUYAL-SCVCMEIPSA-N 0 0 312.391 0.605 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000248852132 395998784 /nfs/dbraw/zinc/99/87/84/395998784.db2.gz JPMSWELVJPULDF-NFAWXSAZSA-N 0 0 323.437 0.470 10 0 DCAERN CCS(=O)(=O)NCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246043452 395940113 /nfs/dbraw/zinc/94/01/13/395940113.db2.gz SEAWOEMSBVFWRZ-XQQFMLRXSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1ccc(CN(C)C(=O)C2=NN(CCO)C(=O)CC2)cc1 ZINC000136093954 395944303 /nfs/dbraw/zinc/94/43/03/395944303.db2.gz MWYDNUBPGKZLDF-UHFFFAOYSA-N 0 0 303.362 0.924 10 0 DCAERN CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246219084 395944445 /nfs/dbraw/zinc/94/44/45/395944445.db2.gz FJAFWJRKKXTSLA-WCQYABFASA-N 0 0 312.391 0.567 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486437 395951332 /nfs/dbraw/zinc/95/13/32/395951332.db2.gz NMLDNOZIRSHLRX-MQYQWHSLSA-N 0 0 311.426 0.598 10 0 DCAERN Cc1ccc(N2CC[C@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246796144 395957933 /nfs/dbraw/zinc/95/79/33/395957933.db2.gz PGQINHHSWMYEJA-UONOGXRCSA-N 0 0 303.362 0.286 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000249037010 396002337 /nfs/dbraw/zinc/00/23/37/396002337.db2.gz SUMZGQIGOZFLOR-GHMZBOCLSA-N 0 0 314.411 0.016 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1 ZINC000247001675 395963470 /nfs/dbraw/zinc/96/34/70/395963470.db2.gz GRHSWJIPHDUNEV-CHWSQXEVSA-N 0 0 314.407 0.050 10 0 DCAERN COCCN1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C[C@@H]1C ZINC000247052256 395964935 /nfs/dbraw/zinc/96/49/35/395964935.db2.gz JQNXSVFQFVZKJW-KKUMJFAQSA-N 0 0 314.426 0.750 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247125148 395966468 /nfs/dbraw/zinc/96/64/68/395966468.db2.gz UZJVFJBIQGBJOF-MBNYWOFBSA-N 0 0 303.424 0.821 10 0 DCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000248982340 396001170 /nfs/dbraw/zinc/00/11/70/396001170.db2.gz VVJFGVUIHFQIQI-MGPQQGTHSA-N 0 0 319.409 0.906 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000151084022 395978531 /nfs/dbraw/zinc/97/85/31/395978531.db2.gz CAESTZHVIVNKHR-CYBMUJFWSA-N 0 0 315.320 0.779 10 0 DCAERN C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H](C)CO ZINC000151139977 395979681 /nfs/dbraw/zinc/97/96/81/395979681.db2.gz CXLQYFVRKZGYKF-HTQZYQBOSA-N 0 0 307.375 0.959 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000248391340 395985055 /nfs/dbraw/zinc/98/50/55/395985055.db2.gz UXCZTUROKQGXAT-NSHDSACASA-N 0 0 318.399 0.728 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000275523441 395985124 /nfs/dbraw/zinc/98/51/24/395985124.db2.gz CIKGBYSBEQSYRR-IHRRRGAJSA-N 0 0 319.409 0.870 10 0 DCAERN Cn1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)ccc1=O ZINC000151584089 395988738 /nfs/dbraw/zinc/98/87/38/395988738.db2.gz CHABBTZLBFIRPK-RYUDHWBXSA-N 0 0 304.350 0.660 10 0 DCAERN CN(CCCCO)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000276157310 395989660 /nfs/dbraw/zinc/98/96/60/395989660.db2.gz AJXPMTFIFJVAFU-UHFFFAOYSA-N 0 0 321.420 0.483 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC[C@H]2c2nc[nH]n2)C1 ZINC000248549736 395989875 /nfs/dbraw/zinc/98/98/75/395989875.db2.gz KEEWIPXBKTWXGH-NEPJUHHUSA-N 0 0 320.397 0.056 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000248646762 395991911 /nfs/dbraw/zinc/99/19/11/395991911.db2.gz PMKOTZVWFFRLIZ-VXGBXAGGSA-N 0 0 303.428 0.597 10 0 DCAERN COCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(N)n1 ZINC000065310962 395992044 /nfs/dbraw/zinc/99/20/44/395992044.db2.gz VTFZXUMCLUDRSZ-UHFFFAOYSA-N 0 0 306.297 0.750 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C12CCOCC2 ZINC000248650076 395993108 /nfs/dbraw/zinc/99/31/08/395993108.db2.gz WJNVNIZOBWUJPK-MELADBBJSA-N 0 0 324.421 0.945 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCc2nnc(C)n2C1)C1CCCC1 ZINC000065606102 395995086 /nfs/dbraw/zinc/99/50/86/395995086.db2.gz DGTOJDNSJBLZNS-HIFRSBDPSA-N 0 0 319.409 0.712 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000248743488 395996124 /nfs/dbraw/zinc/99/61/24/395996124.db2.gz RWMDTJNCUXVRGQ-AAEUAGOBSA-N 0 0 303.428 0.168 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153349038 396024071 /nfs/dbraw/zinc/02/40/71/396024071.db2.gz SIOFCMWDOMZBTP-ZJUUUORDSA-N 0 0 314.363 0.091 10 0 DCAERN CN(C)c1nc(CN2CCC[C@@H]2CN2CCOCC2)ns1 ZINC000153869890 396027381 /nfs/dbraw/zinc/02/73/81/396027381.db2.gz OAQQGSILAVWZQY-GFCCVEGCSA-N 0 0 311.455 0.901 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153987862 396028206 /nfs/dbraw/zinc/02/82/06/396028206.db2.gz DFYJINUSTNBWSZ-FXQIFTODSA-N 0 0 307.272 0.822 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000067617656 396029294 /nfs/dbraw/zinc/02/92/94/396029294.db2.gz QOSVCUQUWVCHBA-LBPRGKRZSA-N 0 0 308.382 0.454 10 0 DCAERN CCO[C@@H]1C[C@](O)(CNc2ccc(C(=O)NC)nn2)C1(C)C ZINC000276810908 396029369 /nfs/dbraw/zinc/02/93/69/396029369.db2.gz CHPSWIVFPLYESY-ABAIWWIYSA-N 0 0 308.382 0.814 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)o1 ZINC000154035088 396029878 /nfs/dbraw/zinc/02/98/78/396029878.db2.gz SXQQLJIGVMEVRJ-LLVKDONJSA-N 0 0 308.334 0.613 10 0 DCAERN CCOc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154109778 396031448 /nfs/dbraw/zinc/03/14/48/396031448.db2.gz FSDIJVHHJLGKHD-AWEZNQCLSA-N 0 0 308.378 0.508 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154133416 396032209 /nfs/dbraw/zinc/03/22/09/396032209.db2.gz DPAYPYXHOCAFKW-CQSZACIVSA-N 0 0 308.378 0.183 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc(-n2cncn2)c1 ZINC000154369329 396037521 /nfs/dbraw/zinc/03/75/21/396037521.db2.gz WUMGTZAEMZVKTM-ZDUSSCGKSA-N 0 0 320.374 0.574 10 0 DCAERN CO[C@@H]1CN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978147 396041307 /nfs/dbraw/zinc/04/13/07/396041307.db2.gz YYCVPPHKSBKIQB-UPJWGTAASA-N 0 0 308.382 0.179 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155399482 396051121 /nfs/dbraw/zinc/05/11/21/396051121.db2.gz NRLNEROXRFKCRZ-OLZOCXBDSA-N 0 0 302.440 0.752 10 0 DCAERN CN1CC[C@@H](NC(=O)NCC[C@@H]2c3ccccc3NC2=O)C1=O ZINC000155439645 396051636 /nfs/dbraw/zinc/05/16/36/396051636.db2.gz KUUDDZAJCWPUET-DGCLKSJQSA-N 0 0 316.361 0.642 10 0 DCAERN Cc1cccc2nc(CNC(=O)C[C@@H]3NC(=O)NC3=O)n(C)c21 ZINC000155418844 396051922 /nfs/dbraw/zinc/05/19/22/396051922.db2.gz RAPRJBNPMGOTIM-JTQLQIEISA-N 0 0 315.333 0.096 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(=O)NC1CC1)CC2 ZINC000155541599 396053087 /nfs/dbraw/zinc/05/30/87/396053087.db2.gz QAPRMBVRIAHMLN-LLVKDONJSA-N 0 0 320.397 0.294 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)c1 ZINC000261676216 396055684 /nfs/dbraw/zinc/05/56/84/396055684.db2.gz JNODSMHGWDKRMW-LBPRGKRZSA-N 0 0 307.379 0.150 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155851382 396058649 /nfs/dbraw/zinc/05/86/49/396058649.db2.gz FRNBFQDJUKEKPN-WDEREUQCSA-N 0 0 301.350 0.969 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)C1 ZINC000158791731 396065923 /nfs/dbraw/zinc/06/59/23/396065923.db2.gz PJQLGSCCWWNQAG-SDDRHHMPSA-N 0 0 322.427 0.113 10 0 DCAERN Cc1nc(C(=O)N2CCOC3(CCOCC3)C2)c(=O)[nH]c1C ZINC000159301256 396066740 /nfs/dbraw/zinc/06/67/40/396066740.db2.gz LQWGCOBENMOEKO-UHFFFAOYSA-N 0 0 307.350 0.408 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1noc(CN)n1 ZINC000261814947 396068936 /nfs/dbraw/zinc/06/89/36/396068936.db2.gz RWOALNALQDEFLI-UHFFFAOYSA-N 0 0 311.292 0.877 10 0 DCAERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000152209805 396002628 /nfs/dbraw/zinc/00/26/28/396002628.db2.gz SUYUKIVMENFUSI-WDEREUQCSA-N 0 0 308.309 0.905 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NOC[C@H]3CCOC3)C2)cn1 ZINC000249091142 396003176 /nfs/dbraw/zinc/00/31/76/396003176.db2.gz UQEYVFQEEKBTKZ-QWHCGFSZSA-N 0 0 323.397 0.656 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCCN1c1ccccc1F ZINC000249352065 396006572 /nfs/dbraw/zinc/00/65/72/396006572.db2.gz QBXFBAGPBDSYJA-TYNCELHUSA-N 0 0 308.353 0.749 10 0 DCAERN O=C(CN1CCC[C@]12CCOC2=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000249557009 396009409 /nfs/dbraw/zinc/00/94/09/396009409.db2.gz KDYWOMLNRVESOO-GRDNDAEWSA-N 0 0 322.405 0.938 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)CCSC)c(C)o1 ZINC000152678363 396013965 /nfs/dbraw/zinc/01/39/65/396013965.db2.gz QDBRIVPNTSAHOC-UHFFFAOYSA-N 0 0 306.409 0.931 10 0 DCAERN CSCCN(C)C(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000152670036 396014465 /nfs/dbraw/zinc/01/44/65/396014465.db2.gz NTMQNJMJVSGMLE-NSHDSACASA-N 0 0 308.469 0.868 10 0 DCAERN Cc1noc(C2CCC(NC(=O)[C@H]3NCCO[C@@H]3C)CC2)n1 ZINC000261972831 396085836 /nfs/dbraw/zinc/08/58/36/396085836.db2.gz QSUKVWNEMGIXCD-QWCHVHKLSA-N 0 0 308.382 0.897 10 0 DCAERN CC1(O)CN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)C1 ZINC000277763045 396086297 /nfs/dbraw/zinc/08/62/97/396086297.db2.gz OVBDPCRBUHBHSY-LBPRGKRZSA-N 0 0 306.387 0.795 10 0 DCAERN COC(=O)c1sccc1NC(=O)CN1CCOC[C@@H]1CO ZINC000168898416 396090222 /nfs/dbraw/zinc/09/02/22/396090222.db2.gz BWXJHVNPCNHWCE-VIFPVBQESA-N 0 0 314.363 0.166 10 0 DCAERN CCn1ccc(C(=O)NC[C@H]2Cn3cccc3C(=O)N2C)n1 ZINC000169778788 396090930 /nfs/dbraw/zinc/09/09/30/396090930.db2.gz SVFGPUYOVPCLLL-NSHDSACASA-N 0 0 301.350 0.589 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C(=O)N2CCC[C@H](C)C2)n1 ZINC000277888346 396093286 /nfs/dbraw/zinc/09/32/86/396093286.db2.gz FJRAVBKZOHXEND-MVWJERBFSA-N 0 0 322.365 0.271 10 0 DCAERN Nc1cc[nH+]cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262075400 396096551 /nfs/dbraw/zinc/09/65/51/396096551.db2.gz BZWNWAUFXPXSMU-HTQZYQBOSA-N 0 0 303.240 0.999 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000170850867 396098835 /nfs/dbraw/zinc/09/88/35/396098835.db2.gz SXGIGBCPKOSQBT-AWEZNQCLSA-N 0 0 305.378 0.449 10 0 DCAERN CCOC(=O)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303053 396101065 /nfs/dbraw/zinc/10/10/65/396101065.db2.gz YFJCGGMUZOTNSY-UHFFFAOYSA-N 0 0 315.347 0.244 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000170924218 396101727 /nfs/dbraw/zinc/10/17/27/396101727.db2.gz YJBAKVLCVSPELB-ZIAGYGMSSA-N 0 0 307.398 0.597 10 0 DCAERN COc1ccccc1[C@H]1C[NH2+]CCN1CCNS(C)(=O)=O ZINC000262208773 396110494 /nfs/dbraw/zinc/11/04/94/396110494.db2.gz LKNTYIKXHRLDLH-CYBMUJFWSA-N 0 0 313.423 0.191 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H](O)C1CC1 ZINC000071304602 396112488 /nfs/dbraw/zinc/11/24/88/396112488.db2.gz GHMAIPLUUAFMTO-JTQLQIEISA-N 0 0 317.363 0.732 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000171744830 396124685 /nfs/dbraw/zinc/12/46/85/396124685.db2.gz DMMVTRDXMARXQS-RYUDHWBXSA-N 0 0 323.343 0.698 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172261970 396129545 /nfs/dbraw/zinc/12/95/45/396129545.db2.gz NUQYHIQWYRYLOQ-KBPBESRZSA-N 0 0 320.455 0.538 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172362289 396131245 /nfs/dbraw/zinc/13/12/45/396131245.db2.gz NOSFEOAOYMPZTN-HWYHXSKPSA-N 0 0 323.422 0.720 10 0 DCAERN CN1C[C@@H](NC(=O)NCCCOCC(F)(F)F)CCC1=O ZINC000172354989 396131361 /nfs/dbraw/zinc/13/13/61/396131361.db2.gz BWTWJJDQYPZPJO-VIFPVBQESA-N 0 0 311.304 0.875 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172690185 396133222 /nfs/dbraw/zinc/13/32/22/396133222.db2.gz WGZSLCXWGPXHMK-RYUDHWBXSA-N 0 0 304.346 0.766 10 0 DCAERN CS(=O)(=O)NCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173707196 396136162 /nfs/dbraw/zinc/13/61/62/396136162.db2.gz YRUFXWIAVPTXEP-UHFFFAOYSA-N 0 0 314.411 0.855 10 0 DCAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCCNC1=O ZINC000069333488 396075355 /nfs/dbraw/zinc/07/53/55/396075355.db2.gz DXBPMSJXHUHFKP-JQWIXIFHSA-N 0 0 319.386 0.884 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)CNC(=O)c1ccccc1C ZINC000162794246 396083723 /nfs/dbraw/zinc/08/37/23/396083723.db2.gz SFSQSIDZUWKHLI-UHFFFAOYSA-N 0 0 305.378 0.613 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263232479 396207281 /nfs/dbraw/zinc/20/72/81/396207281.db2.gz NNXRBONICHIOJZ-GHMZBOCLSA-N 0 0 303.353 0.747 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263232482 396207917 /nfs/dbraw/zinc/20/79/17/396207917.db2.gz NNXRBONICHIOJZ-WDEREUQCSA-N 0 0 303.353 0.747 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176083371 396149780 /nfs/dbraw/zinc/14/97/80/396149780.db2.gz TZEJWTJAIDRKKI-UFBFGSQYSA-N 0 0 307.325 0.991 10 0 DCAERN CC(C)C[C@H](CNS(=O)(=O)N1CCCC1)N1CCOCC1 ZINC000073770147 396150285 /nfs/dbraw/zinc/15/02/85/396150285.db2.gz NQFSLWKDTVVLAO-CQSZACIVSA-N 0 0 319.471 0.664 10 0 DCAERN CC[C@@H](NC(=O)c1cnc2cc(C)ccn2c1=O)C(=O)OC ZINC000176197707 396151683 /nfs/dbraw/zinc/15/16/83/396151683.db2.gz DQLVHRZODMGCBZ-LLVKDONJSA-N 0 0 303.318 0.684 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cnc2ccccc2n1 ZINC000176443026 396155822 /nfs/dbraw/zinc/15/58/22/396155822.db2.gz MJNBCYVANXCJGK-GFCCVEGCSA-N 0 0 316.361 0.053 10 0 DCAERN Cn1cc(CNC(=O)N2CCNC(=O)C2)c(C(F)(F)F)n1 ZINC000178802328 396210131 /nfs/dbraw/zinc/21/01/31/396210131.db2.gz BWLCKRYRLRNANM-UHFFFAOYSA-N 0 0 305.260 0.080 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000177074950 396165676 /nfs/dbraw/zinc/16/56/76/396165676.db2.gz JLSMOQJQZMKHNB-LLVKDONJSA-N 0 0 302.386 0.970 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178848201 396210909 /nfs/dbraw/zinc/21/09/09/396210909.db2.gz ICHURTDZRKVTEK-PWSUYJOCSA-N 0 0 312.391 0.710 10 0 DCAERN Cc1cccc(NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000177366724 396172588 /nfs/dbraw/zinc/17/25/88/396172588.db2.gz PFZFKGADBZBVBY-MRXNPFEDSA-N 0 0 321.421 0.558 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177343848 396172903 /nfs/dbraw/zinc/17/29/03/396172903.db2.gz OYXXAXHZOYHAHI-MNOVXSKESA-N 0 0 308.386 0.717 10 0 DCAERN COc1ccncc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177391681 396173298 /nfs/dbraw/zinc/17/32/98/396173298.db2.gz VPNPBTJIHJKAID-LBPRGKRZSA-N 0 0 318.377 0.725 10 0 DCAERN Cc1cccc(N2CCN(C(=O)CSC[C@@H](O)CO)CC2)c1 ZINC000177414899 396174537 /nfs/dbraw/zinc/17/45/37/396174537.db2.gz XJBQNHWWCLJDAQ-HNNXBMFYSA-N 0 0 324.446 0.730 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000279488801 396178342 /nfs/dbraw/zinc/17/83/42/396178342.db2.gz FTNAXWYTOHLKKM-KKUMJFAQSA-N 0 0 324.400 0.970 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000177603771 396179721 /nfs/dbraw/zinc/17/97/21/396179721.db2.gz WQYVMFIIFASENH-OLZOCXBDSA-N 0 0 317.393 0.878 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)[C@H](C)CO ZINC000177797820 396183718 /nfs/dbraw/zinc/18/37/18/396183718.db2.gz BPRYOBWVHIEXHE-HTQZYQBOSA-N 0 0 314.411 0.907 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccnc2C)CC1 ZINC000177911581 396185448 /nfs/dbraw/zinc/18/54/48/396185448.db2.gz IRRLYSLZJZYTKX-ZDUSSCGKSA-N 0 0 320.393 0.244 10 0 DCAERN C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 ZINC000076015711 396192220 /nfs/dbraw/zinc/19/22/20/396192220.db2.gz KTSWNTUEWBGFEV-ZWNOBZJWSA-N 0 0 302.330 0.966 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)CC2 ZINC000263294192 396212171 /nfs/dbraw/zinc/21/21/71/396212171.db2.gz WCHGNITYHVEWRZ-ZJUUUORDSA-N 0 0 313.352 0.830 10 0 DCAERN O=C(NC1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1)C1CC1 ZINC000262999562 396197146 /nfs/dbraw/zinc/19/71/46/396197146.db2.gz OOVFVBWPLDDEAN-NSHDSACASA-N 0 0 301.337 0.501 10 0 DCAERN CCCN(CCO)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181215297 396238049 /nfs/dbraw/zinc/23/80/49/396238049.db2.gz WDHPYUPSLGVVBY-UHFFFAOYSA-N 0 0 317.411 0.120 10 0 DCAERN O=S(=O)(CCc1ccccc1)NC[C@@]1(CCO)CCOC1 ZINC000181401059 396238675 /nfs/dbraw/zinc/23/86/75/396238675.db2.gz CCUNYAFFSMXURW-OAHLLOKOSA-N 0 0 313.419 0.938 10 0 DCAERN CCOCCN(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181409483 396239142 /nfs/dbraw/zinc/23/91/42/396239142.db2.gz HPYJFFPYPNFHRB-UHFFFAOYSA-N 0 0 317.411 0.384 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1cc[nH]n1)CC2 ZINC000181489148 396239522 /nfs/dbraw/zinc/23/95/22/396239522.db2.gz AXJHDLVCOJNDDN-NSHDSACASA-N 0 0 303.370 0.939 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)Cn1cnc2ccccc2c1=O ZINC000181686388 396241254 /nfs/dbraw/zinc/24/12/54/396241254.db2.gz WBHLZUFORYKISA-UZJPJQLHSA-N 0 0 307.375 0.280 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181781195 396242299 /nfs/dbraw/zinc/24/22/99/396242299.db2.gz PGMWTXCWUPWJIX-UHFFFAOYSA-N 0 0 301.350 0.986 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000181970214 396245294 /nfs/dbraw/zinc/24/52/94/396245294.db2.gz UIHOAWFOSMJWJS-STQMWFEESA-N 0 0 301.456 0.980 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)c1nnc2ccccn21 ZINC000182141395 396246941 /nfs/dbraw/zinc/24/69/41/396246941.db2.gz SLPDXFKMHVLVCG-LLVKDONJSA-N 0 0 314.353 0.771 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@H]1N1CCOCC1 ZINC000182788011 396254239 /nfs/dbraw/zinc/25/42/39/396254239.db2.gz FWZSHVKZRUPCBM-SMDDNHRTSA-N 0 0 315.377 0.751 10 0 DCAERN O=C(NCCCn1ccnn1)c1cccnc1N1CCOCC1 ZINC000182936989 396256726 /nfs/dbraw/zinc/25/67/26/396256726.db2.gz QRZLIUUMVKWHHU-UHFFFAOYSA-N 0 0 316.365 0.330 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000264148615 396258106 /nfs/dbraw/zinc/25/81/06/396258106.db2.gz GOJMRWKNWDNOJS-AWEZNQCLSA-N 0 0 315.373 0.839 10 0 DCAERN COC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000183377556 396268104 /nfs/dbraw/zinc/26/81/04/396268104.db2.gz BTCYZWYCTMTZCW-CYBMUJFWSA-N 0 0 304.346 0.367 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000264302042 396268625 /nfs/dbraw/zinc/26/86/25/396268625.db2.gz VEMUAJDVOYMMNA-NEPJUHHUSA-N 0 0 317.349 0.853 10 0 DCAERN CCNS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183677469 396273394 /nfs/dbraw/zinc/27/33/94/396273394.db2.gz ABWSPMILACUFRU-LBPRGKRZSA-N 0 0 315.370 0.461 10 0 DCAERN CCNS(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183755585 396274661 /nfs/dbraw/zinc/27/46/61/396274661.db2.gz KTGWKVQJZYSNTR-UHFFFAOYSA-N 0 0 318.374 0.001 10 0 DCAERN COC(=O)c1coc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000183813082 396276025 /nfs/dbraw/zinc/27/60/25/396276025.db2.gz SQERVVZDQRYCNS-WCQYABFASA-N 0 0 322.361 0.859 10 0 DCAERN Cc1cnn(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000080209317 396276218 /nfs/dbraw/zinc/27/62/18/396276218.db2.gz KHQZNHSPPHEXDJ-UHFFFAOYSA-N 0 0 322.390 0.545 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnc2ccc(F)cc2c1 ZINC000179424589 396226516 /nfs/dbraw/zinc/22/65/16/396226516.db2.gz MXPWUJMYMXKKKZ-GFCCVEGCSA-N 0 0 301.277 0.909 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)C ZINC000179558418 396228473 /nfs/dbraw/zinc/22/84/73/396228473.db2.gz MIEYDGJVNPBJPE-UHFFFAOYSA-N 0 0 310.354 0.467 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000184962034 396312516 /nfs/dbraw/zinc/31/25/16/396312516.db2.gz YBCNPXVLWZDLOA-SECBINFHSA-N 0 0 317.340 0.643 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000283158722 396313463 /nfs/dbraw/zinc/31/34/63/396313463.db2.gz GFSGZRDCFJVVHO-ZJUUUORDSA-N 0 0 316.365 0.647 10 0 DCAERN CC(=O)NCCNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184100889 396285084 /nfs/dbraw/zinc/28/50/84/396285084.db2.gz KAYBBDHONMKAPH-UHFFFAOYSA-N 0 0 310.379 0.242 10 0 DCAERN COc1cc(N2CCN(C[C@H](O)COCC(C)C)CC2)ncn1 ZINC000184094807 396285093 /nfs/dbraw/zinc/28/50/93/396285093.db2.gz ZBHUMSJAQZGTBG-AWEZNQCLSA-N 0 0 324.425 0.641 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NC)C2)c1 ZINC000080752774 396285313 /nfs/dbraw/zinc/28/53/13/396285313.db2.gz DSIHELZNVOVNJU-JTQLQIEISA-N 0 0 300.384 0.050 10 0 DCAERN O=c1[nH]c(CCN2CCO[C@]3(CCOC3)C2)nc2ccccc21 ZINC000185151811 396319432 /nfs/dbraw/zinc/31/94/32/396319432.db2.gz GRHRIXINLVJJQI-QGZVFWFLSA-N 0 0 315.373 0.957 10 0 DCAERN Cc1cc(CN2CCN(c3cncc(C(N)=O)n3)CC2)no1 ZINC000080764776 396286364 /nfs/dbraw/zinc/28/63/64/396286364.db2.gz AEALOMUBCODLRO-UHFFFAOYSA-N 0 0 302.338 0.194 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)CC(=O)N1C ZINC000282385585 396286617 /nfs/dbraw/zinc/28/66/17/396286617.db2.gz NYUZJWRQQQTXJB-SNVBAGLBSA-N 0 0 310.375 0.393 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CC(=O)N1C ZINC000282398872 396287368 /nfs/dbraw/zinc/28/73/68/396287368.db2.gz OWTBLCRPVCZAOJ-LLVKDONJSA-N 0 0 303.362 0.691 10 0 DCAERN CNC(=O)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000184301572 396290025 /nfs/dbraw/zinc/29/00/25/396290025.db2.gz WHXKZYRCXWBNCW-UHFFFAOYSA-N 0 0 320.349 0.231 10 0 DCAERN COCCN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@H]1C ZINC000184323824 396291085 /nfs/dbraw/zinc/29/10/85/396291085.db2.gz VZRVOWAFSOVEKD-GFCCVEGCSA-N 0 0 318.381 0.914 10 0 DCAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCOCC1 ZINC000081187347 396294935 /nfs/dbraw/zinc/29/49/35/396294935.db2.gz PHMRWFKRDPEJFQ-OLZOCXBDSA-N 0 0 314.411 0.533 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184478580 396296696 /nfs/dbraw/zinc/29/66/96/396296696.db2.gz OTPNJRWEKHVIAU-AXFHLTTASA-N 0 0 300.384 0.839 10 0 DCAERN CCc1c(C(=O)CN2C[C@@H](O)C[C@@H]2CO)[nH]c(C)c1C(C)=O ZINC000184734636 396303940 /nfs/dbraw/zinc/30/39/40/396303940.db2.gz PCRZRORNBCKYNQ-NEPJUHHUSA-N 0 0 308.378 0.698 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CCC(=O)NC(N)=O ZINC000184740615 396304431 /nfs/dbraw/zinc/30/44/31/396304431.db2.gz OBMMJOSCGMAVKY-CYBMUJFWSA-N 0 0 322.340 0.192 10 0 DCAERN CNC(=O)CC(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000185182035 396321202 /nfs/dbraw/zinc/32/12/02/396321202.db2.gz BNAYQZMQXLBJCC-AWEZNQCLSA-N 0 0 304.325 0.901 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185180665 396321222 /nfs/dbraw/zinc/32/12/22/396321222.db2.gz ZUXQWDNNGOGWHY-KOLCDFICSA-N 0 0 301.350 0.694 10 0 DCAERN Cn1cc(N2CCC[C@@H](N3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205147 396321812 /nfs/dbraw/zinc/32/18/12/396321812.db2.gz AMPVYVSVUPLMOP-GDBMZVCRSA-N 0 0 320.393 0.407 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000185237704 396322559 /nfs/dbraw/zinc/32/25/59/396322559.db2.gz PTHLATGSFWYDAM-GFCCVEGCSA-N 0 0 324.429 0.168 10 0 DCAERN C/C=C/C[C@@H](CO)NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185269753 396323874 /nfs/dbraw/zinc/32/38/74/396323874.db2.gz NBQKQOSOKLRZJZ-MOVJSRMASA-N 0 0 307.803 0.987 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)C1 ZINC000185302446 396324557 /nfs/dbraw/zinc/32/45/57/396324557.db2.gz UDHUZLODNKKRSO-CABCVRRESA-N 0 0 318.373 0.772 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc21 ZINC000185309925 396324731 /nfs/dbraw/zinc/32/47/31/396324731.db2.gz XMWFRBPQAHPWCN-CYBMUJFWSA-N 0 0 315.377 0.515 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(Cl)n1 ZINC000185476338 396328904 /nfs/dbraw/zinc/32/89/04/396328904.db2.gz HABDRJGKKYCHLG-SNVBAGLBSA-N 0 0 319.814 0.652 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265679946 396336741 /nfs/dbraw/zinc/33/67/41/396336741.db2.gz IZTYAGPPVJHOAC-GHMZBOCLSA-N 0 0 300.384 0.100 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCS1(=O)=O ZINC000265698482 396337952 /nfs/dbraw/zinc/33/79/52/396337952.db2.gz PYVVIABEIAYXLV-JTQLQIEISA-N 0 0 311.359 0.717 10 0 DCAERN Nc1ccc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000186020113 396339487 /nfs/dbraw/zinc/33/94/87/396339487.db2.gz PHYYWPKXWYAQHV-CYBMUJFWSA-N 0 0 311.407 0.410 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC2Cc3ccccc3C2)C1 ZINC000185809966 396334905 /nfs/dbraw/zinc/33/49/05/396334905.db2.gz AXKBDFFAXSEHOT-UHFFFAOYSA-N 0 0 303.362 0.310 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000284596502 396346298 /nfs/dbraw/zinc/34/62/98/396346298.db2.gz KZCHIPCKKUIGNY-UONOGXRCSA-N 0 0 310.369 0.832 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCC1=O ZINC000186573783 396352735 /nfs/dbraw/zinc/35/27/35/396352735.db2.gz HISKVBHQQVRWSI-LLVKDONJSA-N 0 0 306.337 0.922 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000186607138 396353280 /nfs/dbraw/zinc/35/32/80/396353280.db2.gz VPUKEPABRGNLIO-ILXRZTDVSA-N 0 0 323.437 0.328 10 0 DCAERN COCc1cc(NC(=O)C(=O)N2CCCC3(CC3)C2)ncn1 ZINC000187420385 396369443 /nfs/dbraw/zinc/36/94/43/396369443.db2.gz GPUBGWRWADIXOZ-UHFFFAOYSA-N 0 0 304.350 0.964 10 0 DCAERN CCS(=O)(=O)CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187595404 396371711 /nfs/dbraw/zinc/37/17/11/396371711.db2.gz GYHRYYBHQRPMBV-RYUDHWBXSA-N 0 0 317.432 0.717 10 0 DCAERN CN1N=C(C(=O)N2CCCN(c3ccccn3)CC2)CCC1=O ZINC000186393672 396349409 /nfs/dbraw/zinc/34/94/09/396349409.db2.gz YOXKNTRWZAUAKU-UHFFFAOYSA-N 0 0 315.377 0.729 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208139 396381165 /nfs/dbraw/zinc/38/11/65/396381165.db2.gz BYBZSMZLXIZBJU-KBPBESRZSA-N 0 0 303.362 0.331 10 0 DCAERN COCCN1CCCN(C(=O)NCCc2ccccn2)CC1=O ZINC000188427733 396382502 /nfs/dbraw/zinc/38/25/02/396382502.db2.gz PJZDBQZUOMUIAF-UHFFFAOYSA-N 0 0 320.393 0.514 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000188835499 396387092 /nfs/dbraw/zinc/38/70/92/396387092.db2.gz DVLSBOKGDZGOIN-CQSZACIVSA-N 0 0 306.362 0.729 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCN1CCO ZINC000188819235 396387119 /nfs/dbraw/zinc/38/71/19/396387119.db2.gz XYNKDDQHVNFJAS-ZDUSSCGKSA-N 0 0 319.405 0.527 10 0 DCAERN C[C@@H](CC(=O)N1CCCNC(=O)[C@H]1C)NC(=O)C1CCCC1 ZINC000188919324 396388755 /nfs/dbraw/zinc/38/87/55/396388755.db2.gz WTFJPWAHVXXYQB-NWDGAFQWSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nnc(C3CC3)o2)C[C@H](C)O1 ZINC000189067316 396390342 /nfs/dbraw/zinc/39/03/42/396390342.db2.gz RQWBSHCSELQTEM-DTORHVGOSA-N 0 0 316.383 0.391 10 0 DCAERN COc1ccccc1CCNC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189313851 396393229 /nfs/dbraw/zinc/39/32/29/396393229.db2.gz DKXSLPRFMIMCSD-CYBMUJFWSA-N 0 0 319.405 0.564 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000189339466 396394143 /nfs/dbraw/zinc/39/41/43/396394143.db2.gz NZAPGZDELLVUJC-DGCLKSJQSA-N 0 0 318.439 0.684 10 0 DCAERN CCOC[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)C ZINC000189640632 396397191 /nfs/dbraw/zinc/39/71/91/396397191.db2.gz MJWJTLDYQTUSQW-NWDGAFQWSA-N 0 0 306.428 0.876 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(c3cc(C)[nH]n3)CC2)n1 ZINC000189703770 396397473 /nfs/dbraw/zinc/39/74/73/396397473.db2.gz AREGRKJGXBAAGU-UHFFFAOYSA-N 0 0 302.382 0.880 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000189750261 396398137 /nfs/dbraw/zinc/39/81/37/396398137.db2.gz RMUDKQFSDGVWGA-LBPRGKRZSA-N 0 0 319.361 0.319 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189723812 396398498 /nfs/dbraw/zinc/39/84/98/396398498.db2.gz LQUSFYMYJOMJNA-UHFFFAOYSA-N 0 0 323.397 0.893 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccn(CCOC)n1)CC2 ZINC000189815093 396400248 /nfs/dbraw/zinc/40/02/48/396400248.db2.gz GKMRBVLXTCBEQL-LLVKDONJSA-N 0 0 318.381 0.428 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)N1CCCN(C)C(=O)C1 ZINC000189963842 396400933 /nfs/dbraw/zinc/40/09/33/396400933.db2.gz OPUYIRQLONGFDE-GFCCVEGCSA-N 0 0 307.398 0.701 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000190164311 396402850 /nfs/dbraw/zinc/40/28/50/396402850.db2.gz PUAGBWITGVREAS-LLVKDONJSA-N 0 0 320.397 0.246 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190237466 396403588 /nfs/dbraw/zinc/40/35/88/396403588.db2.gz YMSITODMJPMKKK-VXGBXAGGSA-N 0 0 323.397 0.984 10 0 DCAERN CN1CCCN(C(=O)NCc2ccn3ccnc3c2)CC1=O ZINC000190255200 396404444 /nfs/dbraw/zinc/40/44/44/396404444.db2.gz BBPAIANYVNUNSQ-UHFFFAOYSA-N 0 0 301.350 0.708 10 0 DCAERN CCN1CN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1=O ZINC000190538539 396407907 /nfs/dbraw/zinc/40/79/07/396407907.db2.gz ZYZZXIQCUGVKFH-GFCCVEGCSA-N 0 0 304.346 0.895 10 0 DCAERN CC[C@@H](CO)N1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190606410 396408797 /nfs/dbraw/zinc/40/87/97/396408797.db2.gz ZLFIXVRNWALDRL-HNNXBMFYSA-N 0 0 320.499 0.980 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000190671395 396409647 /nfs/dbraw/zinc/40/96/47/396409647.db2.gz QEZCXFZMFDPIDR-MRVPVSSYSA-N 0 0 311.288 0.640 10 0 DCAERN COCCN1CCCN(C[C@@H](O)COCC(C)C)CC1=O ZINC000190809357 396411993 /nfs/dbraw/zinc/41/19/93/396411993.db2.gz WWBZTKKYXXIVSF-CQSZACIVSA-N 0 0 302.415 0.201 10 0 DCAERN Cc1oc2nc(CN(C[C@@H](C)O)[C@@H](C)CO)nc(N)c2c1C ZINC000190823515 396412049 /nfs/dbraw/zinc/41/20/49/396412049.db2.gz UHIALMIXKFCQED-DTWKUNHWSA-N 0 0 308.382 0.985 10 0 DCAERN Cn1nccc1CNC(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000190867580 396412382 /nfs/dbraw/zinc/41/23/82/396412382.db2.gz QPVODRHDKJPMCI-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN Cn1cc(-c2cc(CSCCCS(N)(=O)=O)on2)cn1 ZINC000191020622 396414053 /nfs/dbraw/zinc/41/40/53/396414053.db2.gz PXJWNQRMQIHAIX-UHFFFAOYSA-N 0 0 316.408 0.987 10 0 DCAERN Cn1ncnc1S(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000191076174 396415151 /nfs/dbraw/zinc/41/51/51/396415151.db2.gz SPMQVWMTMAGVIC-UHFFFAOYSA-N 0 0 316.289 0.506 10 0 DCAERN CC(=O)N1CC(C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191159710 396416871 /nfs/dbraw/zinc/41/68/71/396416871.db2.gz NZSIVBGATPIHLJ-UHFFFAOYSA-N 0 0 316.405 0.953 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3ncccc3c2)CC1=O ZINC000191506876 396420557 /nfs/dbraw/zinc/42/05/57/396420557.db2.gz LDEXKDOYBRNROC-UHFFFAOYSA-N 0 0 312.329 0.822 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)[nH]1 ZINC000191550819 396421229 /nfs/dbraw/zinc/42/12/29/396421229.db2.gz OUCCFZVULBUKID-LLVKDONJSA-N 0 0 305.382 0.551 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)OC)CC2)[nH]1 ZINC000191589772 396421724 /nfs/dbraw/zinc/42/17/24/396421724.db2.gz OMYGABFBVVKBMY-WDEREUQCSA-N 0 0 306.366 0.882 10 0 DCAERN CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC000193170668 396445560 /nfs/dbraw/zinc/44/55/60/396445560.db2.gz AJQLFXVNVBTONT-XLKFXECMSA-N 0 0 305.338 0.581 10 0 DCAERN Cc1ccn(CC(=O)Nc2cc(-c3nccn3C)[nH]n2)c(=O)c1 ZINC000192490964 396431299 /nfs/dbraw/zinc/43/12/99/396431299.db2.gz WXYLGOCRRDYDPP-UHFFFAOYSA-N 0 0 312.333 0.919 10 0 DCAERN Cc1ccn(CC(=O)N2CC(=O)Nc3c(C)ccnc32)c(=O)c1 ZINC000192548737 396432015 /nfs/dbraw/zinc/43/20/15/396432015.db2.gz CNZAQCVBHOALEP-UHFFFAOYSA-N 0 0 312.329 0.845 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCC(=O)NC(C)(C)C ZINC000192745317 396436352 /nfs/dbraw/zinc/43/63/52/396436352.db2.gz VTWGQAYVYJMGIO-UHFFFAOYSA-N 0 0 309.414 0.793 10 0 DCAERN CO[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC[C@@H]1C ZINC000187892190 396375963 /nfs/dbraw/zinc/37/59/63/396375963.db2.gz BBEPBCHYNUUODR-QWRGUYRKSA-N 0 0 318.381 0.673 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)cs1 ZINC000188107262 396378828 /nfs/dbraw/zinc/37/88/28/396378828.db2.gz AFDLAYGKTHAEIF-WCBMZHEXSA-N 0 0 308.363 0.713 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](COC(C)C)C1 ZINC000372174568 396495116 /nfs/dbraw/zinc/49/51/16/396495116.db2.gz ZEPOFMDGLXAIAY-STQMWFEESA-N 0 0 316.423 0.560 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cnnn1 ZINC000291587606 396500618 /nfs/dbraw/zinc/50/06/18/396500618.db2.gz WZFCVQUQDZSUAD-ZDUSSCGKSA-N 0 0 300.322 0.612 10 0 DCAERN CC[C@@H]1CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000291860249 396516456 /nfs/dbraw/zinc/51/64/56/396516456.db2.gz FDMPNGDZIVNCAN-MRVPVSSYSA-N 0 0 324.362 0.207 10 0 DCAERN CN1CC[C@@H](N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000372344684 396509596 /nfs/dbraw/zinc/50/95/96/396509596.db2.gz GRWSBUXZVZGURX-GFCCVEGCSA-N 0 0 303.410 0.814 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000193458096 396451514 /nfs/dbraw/zinc/45/15/14/396451514.db2.gz QFAYUBKKJRROTQ-LBPRGKRZSA-N 0 0 306.341 0.856 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000289028955 396453421 /nfs/dbraw/zinc/45/34/21/396453421.db2.gz WISMPERRMSUXDK-UHFFFAOYSA-N 0 0 321.402 0.573 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000371466918 396467494 /nfs/dbraw/zinc/46/74/94/396467494.db2.gz UBBZFOXQYWLXDS-ZDUSSCGKSA-N 0 0 300.318 0.199 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@@H](O)C[C@@H]1CO ZINC000371519878 396469256 /nfs/dbraw/zinc/46/92/56/396469256.db2.gz OCVZHFMCMAHXDZ-SFYZADRCSA-N 0 0 301.140 0.412 10 0 DCAERN O=C1[C@@H](Nc2ncnc3nc[nH]c32)CCN1C1CCOCC1 ZINC000371825395 396477970 /nfs/dbraw/zinc/47/79/70/396477970.db2.gz TYTZAKOPOFMWKH-JTQLQIEISA-N 0 0 302.338 0.545 10 0 DCAERN COC(=O)c1cn([C@H]2CCN(C(=O)c3cccc(O)c3)C2)nn1 ZINC000371854696 396478866 /nfs/dbraw/zinc/47/88/66/396478866.db2.gz YULLCJNKTGFMDB-NSHDSACASA-N 0 0 316.317 0.858 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000372514924 396523966 /nfs/dbraw/zinc/52/39/66/396523966.db2.gz SKKXIQDAVDFGBW-NSHDSACASA-N 0 0 306.366 0.724 10 0 DCAERN CCOC(=O)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000527391541 396534411 /nfs/dbraw/zinc/53/44/11/396534411.db2.gz ARLPRWAAEWSOLD-QMMMGPOBSA-N 0 0 300.336 0.472 10 0 DCAERN CCO[C@@H]1C[C@]2(NC(=O)N([C@H]3CCCN(C)C3=O)C2=O)C1(C)C ZINC000581406470 396551560 /nfs/dbraw/zinc/55/15/60/396551560.db2.gz NOFHQRDJUJILGH-LYOVBCGYSA-N 0 0 323.393 0.733 10 0 DCAERN CC[C@@H]1CCN1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000292694134 396563819 /nfs/dbraw/zinc/56/38/19/396563819.db2.gz QHNKYPFSRJUZME-CHWSQXEVSA-N 0 0 319.409 0.943 10 0 DCAERN CC1(C)c2ccc(C(=O)NCC(=O)NC3CC3)cc2NC1=O ZINC000292716050 396565443 /nfs/dbraw/zinc/56/54/43/396565443.db2.gz HSRKNDMXJYGGOE-UHFFFAOYSA-N 0 0 301.346 0.925 10 0 DCAERN COc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)nn1 ZINC000373375369 396586823 /nfs/dbraw/zinc/58/68/23/396586823.db2.gz ZYRSOQUTOCUJRJ-UHFFFAOYSA-N 0 0 303.293 0.968 10 0 DCAERN O=S1(=O)CCCN1CCCNc1cncc(-n2cccn2)n1 ZINC000585744705 396651935 /nfs/dbraw/zinc/65/19/35/396651935.db2.gz ODYVATIUHCXCIA-UHFFFAOYSA-N 0 0 322.394 0.500 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)[C@H](C)OC)C1 ZINC000562255854 396653565 /nfs/dbraw/zinc/65/35/65/396653565.db2.gz GORYZPHKBRJEJF-VWYCJHECSA-N 0 0 307.416 0.133 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC000373727113 396610171 /nfs/dbraw/zinc/61/01/71/396610171.db2.gz KNAVHIKHRDVMLS-NEPJUHHUSA-N 0 0 305.382 0.366 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000560485019 396616850 /nfs/dbraw/zinc/61/68/50/396616850.db2.gz NFFBKNIZEHTPNP-JONQDZQNSA-N 0 0 315.410 0.423 10 0 DCAERN Cc1onc(-c2cccnc2)c1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000560616391 396621570 /nfs/dbraw/zinc/62/15/70/396621570.db2.gz FCNQBAWKLDQVCC-NSHDSACASA-N 0 0 315.333 0.928 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000374112365 396640344 /nfs/dbraw/zinc/64/03/44/396640344.db2.gz VXIRAKXIDSRBDY-XQQFMLRXSA-N 0 0 311.407 0.918 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374129691 396641386 /nfs/dbraw/zinc/64/13/86/396641386.db2.gz ICPOGXXKSVTLKJ-DJIHRAIXSA-N 0 0 319.361 0.523 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC(C1CC1)C1CC1 ZINC000586585249 396661702 /nfs/dbraw/zinc/66/17/02/396661702.db2.gz ZPUHALPEATUOOK-UHFFFAOYSA-N 0 0 315.439 0.900 10 0 DCAERN NC(=O)c1cc(NC(=O)Cc2cccc(O)c2)cc(C(N)=O)c1 ZINC000586749312 396662332 /nfs/dbraw/zinc/66/23/32/396662332.db2.gz QGINJQHGVLRJIN-UHFFFAOYSA-N 0 0 313.313 0.771 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC(c3nc(C)no3)C2)C1 ZINC000562447047 396665039 /nfs/dbraw/zinc/66/50/39/396665039.db2.gz ZQOOLGQJYKYRET-NSHDSACASA-N 0 0 322.369 0.291 10 0 DCAERN CC(C)NS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374657617 396678433 /nfs/dbraw/zinc/67/84/33/396678433.db2.gz MFKDRPGGYIWUOP-NEPJUHHUSA-N 0 0 306.428 0.387 10 0 DCAERN O=S(=O)(CCCF)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374737896 396683440 /nfs/dbraw/zinc/68/34/40/396683440.db2.gz QCOJDMCUZPXTAS-VXGBXAGGSA-N 0 0 309.403 0.833 10 0 DCAERN O=C(CNCC(F)(F)F)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374752355 396684662 /nfs/dbraw/zinc/68/46/62/396684662.db2.gz PUENJSOYAUZALZ-ZYHUDNBSSA-N 0 0 324.343 0.822 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000374804078 396689406 /nfs/dbraw/zinc/68/94/06/396689406.db2.gz YGSFWKIHLDNNFF-RYUDHWBXSA-N 0 0 305.382 0.699 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000374941490 396700442 /nfs/dbraw/zinc/70/04/42/396700442.db2.gz BXISPOGSYGPCTM-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN COc1ccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000374968356 396702293 /nfs/dbraw/zinc/70/22/93/396702293.db2.gz CHTIJIDHTHGHSG-ZDUSSCGKSA-N 0 0 306.362 0.617 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000375211740 396718345 /nfs/dbraw/zinc/71/83/45/396718345.db2.gz RBNYXBOOUQKYEL-LLVKDONJSA-N 0 0 302.421 0.762 10 0 DCAERN Cc1cc(N2CCN(c3ccncc3C(N)=O)CC2)nc(C)n1 ZINC000302228681 396718737 /nfs/dbraw/zinc/71/87/37/396718737.db2.gz QVBXMZOGHCPKBJ-UHFFFAOYSA-N 0 0 312.377 0.914 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cncnc1CC ZINC000562349561 396659121 /nfs/dbraw/zinc/65/91/21/396659121.db2.gz DAPKOINTXCXFDW-NXEZZACHSA-N 0 0 322.365 0.225 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCCCF)cc21 ZINC000562372881 396659822 /nfs/dbraw/zinc/65/98/22/396659822.db2.gz JUAXWGLQFTZFIR-UHFFFAOYSA-N 0 0 305.309 0.953 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625124063 396778614 /nfs/dbraw/zinc/77/86/14/396778614.db2.gz URDQUJDTXQPINV-NEPJUHHUSA-N 0 0 305.396 0.564 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375604634 396779995 /nfs/dbraw/zinc/77/99/95/396779995.db2.gz WJHFOMQTSIBFMQ-NSHDSACASA-N 0 0 320.349 0.122 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375657473 396790209 /nfs/dbraw/zinc/79/02/09/396790209.db2.gz MFQOJHYAERMGLG-LBPRGKRZSA-N 0 0 301.339 0.448 10 0 DCAERN COc1ncccc1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375412192 396739235 /nfs/dbraw/zinc/73/92/35/396739235.db2.gz CLYBFNNPZVCXPE-ZDUSSCGKSA-N 0 0 306.366 0.316 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C2CC2)on1 ZINC000600127548 396742259 /nfs/dbraw/zinc/74/22/59/396742259.db2.gz BQKURQLGDKOIMQ-NSHDSACASA-N 0 0 320.349 0.019 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@H](CC(N)=O)C2)c1 ZINC000629407669 396748743 /nfs/dbraw/zinc/74/87/43/396748743.db2.gz HSHNCOSLIGDVIV-CQSZACIVSA-N 0 0 320.345 0.371 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000312470146 396764845 /nfs/dbraw/zinc/76/48/45/396764845.db2.gz GMFJSSLBXWGDLW-QWRGUYRKSA-N 0 0 307.318 0.735 10 0 DCAERN CC(C)c1nnc2n1CCN(CCCOC(=O)NC(N)=O)[C@H]2C ZINC000375526644 396765385 /nfs/dbraw/zinc/76/53/85/396765385.db2.gz SAOPUUZJDOEUIH-JTQLQIEISA-N 0 0 324.385 0.973 10 0 DCAERN CCOC(=O)COCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312661100 396766670 /nfs/dbraw/zinc/76/66/70/396766670.db2.gz HHQAKOBZWRRBSX-GFCCVEGCSA-N 0 0 307.412 0.323 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCCO[C@H]2CC2(F)F)CC1 ZINC000596399922 396768459 /nfs/dbraw/zinc/76/84/59/396768459.db2.gz IXGLPWKMYPTOKB-NSHDSACASA-N 0 0 322.377 0.835 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cn1nc(C)cc1C ZINC000610840394 396770543 /nfs/dbraw/zinc/77/05/43/396770543.db2.gz WLQWCKMUDFNPTF-CYBMUJFWSA-N 0 0 311.382 0.925 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137875 396822300 /nfs/dbraw/zinc/82/23/00/396822300.db2.gz CWHHQLFGFXRLGE-KBPBESRZSA-N 0 0 321.352 0.922 10 0 DCAERN NC(=O)[C@H]1CCN(CC(=O)NC(=O)NC2CC2)c2ccccc21 ZINC000611154141 396824509 /nfs/dbraw/zinc/82/45/09/396824509.db2.gz AMFAMTZGJNMWEM-LBPRGKRZSA-N 0 0 316.361 0.454 10 0 DCAERN CCN1CCN(C(=O)c2cn(C)nc2C)C[C@@H]1c1nccn1C ZINC000328624428 396824917 /nfs/dbraw/zinc/82/49/17/396824917.db2.gz JWHQGEOOHZHJCR-CQSZACIVSA-N 0 0 316.409 0.981 10 0 DCAERN Cc1ccc(CC(=O)N(CC(N)=O)C[C@@H]2CN(C)CCO2)cn1 ZINC000328621439 396825513 /nfs/dbraw/zinc/82/55/13/396825513.db2.gz ALQRHRNMVABLSZ-AWEZNQCLSA-N 0 0 320.393 0.627 10 0 DCAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2ccnn2C)C1 ZINC000328630688 396827138 /nfs/dbraw/zinc/82/71/38/396827138.db2.gz QEIMIGNPAGKIKD-LBPRGKRZSA-N 0 0 322.390 0.966 10 0 DCAERN Cn1ncc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)c1N ZINC000328632256 396827330 /nfs/dbraw/zinc/82/73/30/396827330.db2.gz LGGJRFMNBZCMGB-LBPRGKRZSA-N 0 0 307.398 0.185 10 0 DCAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654148 396831205 /nfs/dbraw/zinc/83/12/05/396831205.db2.gz XGNIZHISRCCPDG-CYBMUJFWSA-N 0 0 309.366 0.907 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)C1 ZINC000634295990 396835379 /nfs/dbraw/zinc/83/53/79/396835379.db2.gz LGTAYPDOHPJNQZ-MRXNPFEDSA-N 0 0 308.353 0.714 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000375935217 396847344 /nfs/dbraw/zinc/84/73/44/396847344.db2.gz QLCCYWGNDGWRAQ-UHFFFAOYSA-N 0 0 315.373 0.863 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000329725123 396849367 /nfs/dbraw/zinc/84/93/67/396849367.db2.gz DKEKTLRUCYPOPM-GXTWGEPZSA-N 0 0 317.455 0.558 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@H]1CCCC[C@@H]1O ZINC000590871625 396852205 /nfs/dbraw/zinc/85/22/05/396852205.db2.gz FKGXVSFSQIIZQX-RYUDHWBXSA-N 0 0 319.427 0.015 10 0 DCAERN COCCCS(=O)(=O)NCCN1CCC[C@H]1c1cc[nH]n1 ZINC000375728167 396805924 /nfs/dbraw/zinc/80/59/24/396805924.db2.gz YIENLSHEUXPMHO-ZDUSSCGKSA-N 0 0 316.427 0.503 10 0 DCAERN CC1(C)CN(CC(=O)NC(=O)NC2CC2)C[C@]2(CCOC2)O1 ZINC000564141991 396810692 /nfs/dbraw/zinc/81/06/92/396810692.db2.gz RPFKPFHNFMBUJN-HNNXBMFYSA-N 0 0 311.382 0.245 10 0 DCAERN NC(=O)C1(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000591070524 396873166 /nfs/dbraw/zinc/87/31/66/396873166.db2.gz IVWJCAIYZVSHMI-UHFFFAOYSA-N 0 0 322.409 0.438 10 0 DCAERN C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000376154172 396885347 /nfs/dbraw/zinc/88/53/47/396885347.db2.gz DCEPLAHSZZNAGT-UKRRQHHQSA-N 0 0 318.373 0.809 10 0 DCAERN CC(=O)N1CCN(C(=O)CS[C@H]2COC(C)(C)C2)CC1 ZINC000600573379 396891785 /nfs/dbraw/zinc/89/17/85/396891785.db2.gz HNWFFVZAATUQJN-GFCCVEGCSA-N 0 0 300.424 0.978 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332762584 396893152 /nfs/dbraw/zinc/89/31/52/396893152.db2.gz WNAOOMAVFJEXRO-HZSPNIEDSA-N 0 0 324.425 0.112 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000332783429 396893604 /nfs/dbraw/zinc/89/36/04/396893604.db2.gz LFROSDYSFNXAQF-FQUUOJAGSA-N 0 0 321.381 0.475 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C[C@@H]21 ZINC000332841130 396896857 /nfs/dbraw/zinc/89/68/57/396896857.db2.gz CTDIEWQKWAYFOT-TUKIKUTGSA-N 0 0 319.409 0.382 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(C(=O)c2cccn2C)CC1 ZINC000611661413 396905125 /nfs/dbraw/zinc/90/51/25/396905125.db2.gz YSLXRJOITBZTIF-CQSZACIVSA-N 0 0 305.378 0.735 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCCCCC1 ZINC000042747547 300035459 /nfs/dbraw/zinc/03/54/59/300035459.db2.gz KHKPNCXRITUSPS-NWDGAFQWSA-N 0 0 303.428 0.693 10 0 DCAERN C[C@@H](CC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)c1cccnc1 ZINC000630014254 396917982 /nfs/dbraw/zinc/91/79/82/396917982.db2.gz JECYBHAMGPWPGW-IACUBPJLSA-N 0 0 301.350 0.611 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C1CC1 ZINC000333650906 396929777 /nfs/dbraw/zinc/92/97/77/396929777.db2.gz KIOQLQVOFYZBOO-MHEUCROKSA-N 0 0 311.426 0.914 10 0 DCAERN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000611935363 396951328 /nfs/dbraw/zinc/95/13/28/396951328.db2.gz OSHVWVYHFZAHHE-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@H](CC(N)=O)C2)ccc1O ZINC000376640669 396955787 /nfs/dbraw/zinc/95/57/87/396955787.db2.gz OIKCMNOTABOOFO-LLVKDONJSA-N 0 0 307.350 0.808 10 0 DCAERN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NCc2cn(C)nn2)C1 ZINC000611951180 396957536 /nfs/dbraw/zinc/95/75/36/396957536.db2.gz MIGXTRGGASFSAS-LLVKDONJSA-N 0 0 323.397 0.936 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376721330 396968879 /nfs/dbraw/zinc/96/88/79/396968879.db2.gz CZZXMOIWPKGILC-YPMHNXCESA-N 0 0 307.398 0.735 10 0 DCAERN c1cnc(N2CCN(Cc3nnc4n3CCCC4)CC2)nn1 ZINC000625643000 396964227 /nfs/dbraw/zinc/96/42/27/396964227.db2.gz BYRWQFAFCWMTCC-UHFFFAOYSA-N 0 0 300.370 0.122 10 0 DCAERN CCCn1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000376868283 396989042 /nfs/dbraw/zinc/98/90/42/396989042.db2.gz FDTJTQFLDMUMME-AWEZNQCLSA-N 0 0 320.393 0.803 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000408034188 292102776 /nfs/dbraw/zinc/10/27/76/292102776.db2.gz CNUTYRYZPYFYQI-GXFFZTMASA-N 0 0 306.366 0.187 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cscn2)[C@H](C)C1 ZINC000612137342 397005496 /nfs/dbraw/zinc/00/54/96/397005496.db2.gz MNYNYWJLOUVSLH-ZJUUUORDSA-N 0 0 324.406 0.400 10 0 DCAERN COc1ccsc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618678854 397011726 /nfs/dbraw/zinc/01/17/26/397011726.db2.gz PNFUERIEVIKVBN-SECBINFHSA-N 0 0 318.420 0.863 10 0 DCAERN C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CCN1S(C)(=O)=O ZINC000618680753 397012778 /nfs/dbraw/zinc/01/27/78/397012778.db2.gz AKPXZLWAXBJESP-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(F)F ZINC000618753524 397023170 /nfs/dbraw/zinc/02/31/70/397023170.db2.gz XUBLQUGLWZQPKC-IUCAKERBSA-N 0 0 308.325 0.994 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C)CCOCC1 ZINC000618756652 397024468 /nfs/dbraw/zinc/02/44/68/397024468.db2.gz UGQBZWOCCVDIFA-GHMZBOCLSA-N 0 0 314.382 0.376 10 0 DCAERN Cn1nncc1CC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000612465843 397065609 /nfs/dbraw/zinc/06/56/09/397065609.db2.gz LMUJGBINLLIWEM-UONOGXRCSA-N 0 0 307.398 0.117 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H](C)CC(F)F ZINC000592067241 397080805 /nfs/dbraw/zinc/08/08/05/397080805.db2.gz AMPIJZQRDVIRSH-MRVPVSSYSA-N 0 0 302.343 0.607 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)NCCCn1ccnn1)CC2 ZINC000612389084 397042114 /nfs/dbraw/zinc/04/21/14/397042114.db2.gz BYTFQWPHIGBJFA-LBPRGKRZSA-N 0 0 321.381 0.653 10 0 DCAERN COCCN(CC(=O)[O-])C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630571410 397048562 /nfs/dbraw/zinc/04/85/62/397048562.db2.gz WGRIOHVAFTXMIF-AWEZNQCLSA-N 0 0 323.393 0.005 10 0 DCAERN CSCc1ccccc1NC(=O)C(=O)NCc1cn(C)nn1 ZINC000612728519 397129414 /nfs/dbraw/zinc/12/94/14/397129414.db2.gz LOFRNMBZVDROLW-UHFFFAOYSA-N 0 0 319.390 0.933 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCc1ccc[nH]1 ZINC000626307260 397133820 /nfs/dbraw/zinc/13/38/20/397133820.db2.gz TUJFHXWHPQFTSP-UHFFFAOYSA-N 0 0 322.409 0.483 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)c2ccccc21 ZINC000613019050 397179491 /nfs/dbraw/zinc/17/94/91/397179491.db2.gz RFHKOSUIWXMVIS-CHWSQXEVSA-N 0 0 316.361 0.624 10 0 DCAERN c1c(CNCCNc2cnccn2)nnn1C[C@H]1CCOC1 ZINC000631090670 397168774 /nfs/dbraw/zinc/16/87/74/397168774.db2.gz MCWKHLPFGLKMKH-GFCCVEGCSA-N 0 0 303.370 0.306 10 0 DCAERN CCN1CCO[C@H](C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000364341775 397185982 /nfs/dbraw/zinc/18/59/82/397185982.db2.gz TVDFWDQIRFABGA-HNNXBMFYSA-N 0 0 304.390 0.353 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCC2(C(=O)OC)CCCC2)C1=O ZINC000619800734 397194803 /nfs/dbraw/zinc/19/48/03/397194803.db2.gz MHXKYCVEWQFKNP-LLVKDONJSA-N 0 0 311.382 0.640 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CN1CCCC1=O ZINC000364423375 397199412 /nfs/dbraw/zinc/19/94/12/397199412.db2.gz LBEZLCTVZJGMAS-ZDUSSCGKSA-N 0 0 320.393 0.559 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000631281870 397200278 /nfs/dbraw/zinc/20/02/78/397200278.db2.gz LMDCLVBETMZWID-CQSZACIVSA-N 0 0 303.362 0.903 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCCN1C(C)=O ZINC000364453434 397206173 /nfs/dbraw/zinc/20/61/73/397206173.db2.gz KWKSOWZMANNQHR-DGAVXFQQSA-N 0 0 308.378 0.797 10 0 DCAERN Cc1cnccc1CC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000573825399 397212228 /nfs/dbraw/zinc/21/22/28/397212228.db2.gz NTDWUFMCCONGAN-HNNXBMFYSA-N 0 0 302.334 0.085 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CC(F)(F)C1 ZINC000626663447 397214554 /nfs/dbraw/zinc/21/45/54/397214554.db2.gz QUKVSMVFVWXQIG-UHFFFAOYSA-N 0 0 319.352 0.710 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 ZINC000573974318 397224893 /nfs/dbraw/zinc/22/48/93/397224893.db2.gz VHQJAFXUUMLTCP-CYBMUJFWSA-N 0 0 315.439 0.515 10 0 DCAERN CC1(C(N)=O)CN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000574043644 397230325 /nfs/dbraw/zinc/23/03/25/397230325.db2.gz ZDPJEFKHSANQCA-UHFFFAOYSA-N 0 0 302.309 0.959 10 0 DCAERN CCCCCS(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000365518630 397290086 /nfs/dbraw/zinc/29/00/86/397290086.db2.gz BMWREFRLJGKLOR-GFCCVEGCSA-N 0 0 303.384 0.180 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)nn1 ZINC000389984265 397298556 /nfs/dbraw/zinc/29/85/56/397298556.db2.gz LDHLVWUWIZVLNP-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN Cc1ccccc1[C@H]1CN(C(=O)CN2CCOCC2=O)CCO1 ZINC000365598028 397299204 /nfs/dbraw/zinc/29/92/04/397299204.db2.gz KAYWDTOJYFTZAH-OAHLLOKOSA-N 0 0 318.373 0.754 10 0 DCAERN CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000613718942 397307834 /nfs/dbraw/zinc/30/78/34/397307834.db2.gz IZDWKTGOWCLZFY-MNOVXSKESA-N 0 0 308.400 0.225 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)CCN1 ZINC000396725226 397311980 /nfs/dbraw/zinc/31/19/80/397311980.db2.gz YCURNBITXUANPD-QMMMGPOBSA-N 0 0 304.318 0.912 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378546305 397255348 /nfs/dbraw/zinc/25/53/48/397255348.db2.gz GOJXOMHDJYSVSU-CHWSQXEVSA-N 0 0 319.409 0.946 10 0 DCAERN O=S(=O)(NC1CC1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000574341491 397259274 /nfs/dbraw/zinc/25/92/74/397259274.db2.gz IKORJONGWDSIKH-UHFFFAOYSA-N 0 0 320.378 0.153 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N2CCN(C3CC3)C(=O)C2)CCC1 ZINC000407952846 397334493 /nfs/dbraw/zinc/33/44/93/397334493.db2.gz JTERGWQTERGJTQ-OAQYLSRUSA-N 0 0 313.423 0.304 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000407956727 397335673 /nfs/dbraw/zinc/33/56/73/397335673.db2.gz LAKACKDKAMBNKT-UHFFFAOYSA-N 0 0 322.409 0.213 10 0 DCAERN CO[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000407959173 397336766 /nfs/dbraw/zinc/33/67/66/397336766.db2.gz RCCMZYFYBAMUPV-UKRRQHHQSA-N 0 0 306.366 0.236 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000407961587 397337732 /nfs/dbraw/zinc/33/77/32/397337732.db2.gz ILRLRYYKBGZHID-ZDUSSCGKSA-N 0 0 302.378 0.517 10 0 DCAERN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000407961034 397338291 /nfs/dbraw/zinc/33/82/91/397338291.db2.gz ZXZZYYDBOFYRHS-NWDGAFQWSA-N 0 0 324.425 0.409 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H](CO)Oc3ccccc32)c[nH]1 ZINC000366122364 397339961 /nfs/dbraw/zinc/33/99/61/397339961.db2.gz ZMURBRJOKHWWNF-SNVBAGLBSA-N 0 0 309.347 0.667 10 0 DCAERN C[C@H]1CN(C(=O)NCCC(=O)NC2CCCCC2)CC(=O)N1C ZINC000407972475 397342691 /nfs/dbraw/zinc/34/26/91/397342691.db2.gz MBBDTPCEMZRTOL-LBPRGKRZSA-N 0 0 324.425 0.698 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043391 397344891 /nfs/dbraw/zinc/34/48/91/397344891.db2.gz KFUKPKYLLLZUCR-TUVASFSCSA-N 0 0 319.467 0.919 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408170340 397349031 /nfs/dbraw/zinc/34/90/31/397349031.db2.gz TWHJVWWKCCPDPR-VXGBXAGGSA-N 0 0 303.428 0.564 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408198662 397349436 /nfs/dbraw/zinc/34/94/36/397349436.db2.gz URIXLTUMWGEHMP-NXEZZACHSA-N 0 0 313.423 0.786 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000408208947 397350310 /nfs/dbraw/zinc/35/03/10/397350310.db2.gz YJQYIPCKNZWOIH-LREIFRQCSA-N 0 0 301.412 0.158 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000408240906 397351230 /nfs/dbraw/zinc/35/12/30/397351230.db2.gz GOHYPCNFSXEAPK-DGCLKSJQSA-N 0 0 312.391 0.360 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1CO ZINC000621309003 397370982 /nfs/dbraw/zinc/37/09/82/397370982.db2.gz ULHJDYJPABDHHC-BDAKNGLRSA-N 0 0 307.803 0.713 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(=O)[nH]c1 ZINC000365815301 397320015 /nfs/dbraw/zinc/32/00/15/397320015.db2.gz KUGKVSRVJMZKID-GFCCVEGCSA-N 0 0 305.334 0.297 10 0 DCAERN Cc1cccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000365815836 397320484 /nfs/dbraw/zinc/32/04/84/397320484.db2.gz LEUQZRLEKYPFPP-CQSZACIVSA-N 0 0 303.362 0.900 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593710474 397431028 /nfs/dbraw/zinc/43/10/28/397431028.db2.gz HOAJYOJWKSKXKQ-UTWWPYJBSA-N 0 0 320.370 0.560 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000468425495 397446878 /nfs/dbraw/zinc/44/68/78/397446878.db2.gz AJXWSBCPXYNTDT-XJKCOSOUSA-N 0 0 308.378 0.267 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599460315 397447176 /nfs/dbraw/zinc/44/71/76/397447176.db2.gz VZKLNOXRFXNFTC-WDCWCFNPSA-N 0 0 308.400 0.128 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CO[C@H](C)CC ZINC000487096818 397465643 /nfs/dbraw/zinc/46/56/43/397465643.db2.gz OBPCZEJPYRVHHW-MXWKQRLJSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](CO)OC[C@H]2C)s1 ZINC000602786922 397485306 /nfs/dbraw/zinc/48/53/06/397485306.db2.gz MSHJBTGFKOZFLP-ZJUUUORDSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C)cn1 ZINC000488573378 397495016 /nfs/dbraw/zinc/49/50/16/397495016.db2.gz NWAGEDNDVIXTAI-QWRGUYRKSA-N 0 0 322.365 0.968 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cncc(C)c1 ZINC000488156314 397486896 /nfs/dbraw/zinc/48/68/96/397486896.db2.gz BHJQEUHZUHEWOP-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(C)nc1 ZINC000488251103 397488062 /nfs/dbraw/zinc/48/80/62/397488062.db2.gz LTTSAIAWPXBMFG-RYUDHWBXSA-N 0 0 321.377 0.505 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000603152161 397576054 /nfs/dbraw/zinc/57/60/54/397576054.db2.gz BPYXVXCGDGWUSR-IAUXLLLPSA-N 0 0 300.424 0.803 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000579905138 397597162 /nfs/dbraw/zinc/59/71/62/397597162.db2.gz YQDDCGZFDYGJTH-KKZNHRDASA-N 0 0 317.349 0.847 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)Nc1ccc2nccn2c1 ZINC000603883905 397625401 /nfs/dbraw/zinc/62/54/01/397625401.db2.gz IRIZUFSGADKRAO-UHFFFAOYSA-N 0 0 308.363 0.698 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063692 397659798 /nfs/dbraw/zinc/65/97/98/397659798.db2.gz RUOUGQFOWZFDCW-KOLCDFICSA-N 0 0 301.346 0.683 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCc2nnnn2C2CC2)cn1 ZINC000608197630 397720680 /nfs/dbraw/zinc/72/06/80/397720680.db2.gz NPTSJEUXUHUYBO-UHFFFAOYSA-N 0 0 317.353 0.459 10 0 DCAERN COC[C@H]1CCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000606977063 397692536 /nfs/dbraw/zinc/69/25/36/397692536.db2.gz RKKZKNAQSXPKSD-LBPRGKRZSA-N 0 0 319.427 0.090 10 0 DCAERN C[C@@H]1CC(=O)NCCN1C(=O)CN(C)c1ccc(Cl)cn1 ZINC000607926079 397707067 /nfs/dbraw/zinc/70/70/67/397707067.db2.gz RRZLYJOPAIBHEV-SNVBAGLBSA-N 0 0 310.785 0.908 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N(C)CC2CC2)C(=O)N1c1cnn(C)c1 ZINC000608731803 397751176 /nfs/dbraw/zinc/75/11/76/397751176.db2.gz IAZMXZOKYFDIDX-MFKMUULPSA-N 0 0 305.382 0.965 10 0 DCAERN COC(=O)[C@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CCO1 ZINC000609133664 397762107 /nfs/dbraw/zinc/76/21/07/397762107.db2.gz NIBVETSAGSGMOL-GFCCVEGCSA-N 0 0 322.390 0.917 10 0 DCAERN Cc1ccc(N2C(=O)N[C@@H]3CCN(S(C)(=O)=O)[C@@H]3C2=O)cc1 ZINC000004236388 292127298 /nfs/dbraw/zinc/12/72/98/292127298.db2.gz KEIOPVRZIPOKAN-NEPJUHHUSA-N 0 0 323.374 0.454 10 0 biogenic DCAERN CCOC[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(C)C ZINC000189640590 286137327 /nfs/dbraw/zinc/13/73/27/286137327.db2.gz MJWJTLDYQTUSQW-VXGBXAGGSA-N 0 0 306.428 0.876 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444285826 286310412 /nfs/dbraw/zinc/31/04/12/286310412.db2.gz MHSIYAPSPFHOCH-BXKDBHETSA-N 0 0 308.400 0.129 10 0 DCAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000193567012 286463492 /nfs/dbraw/zinc/46/34/92/286463492.db2.gz XAZJDDREWRZWOO-TUVASFSCSA-N 0 0 324.421 0.774 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000047953090 158005395 /nfs/dbraw/zinc/00/53/95/158005395.db2.gz MMODUOZELPJNOF-VWYCJHECSA-N 0 0 308.400 0.081 10 0 DCAERN NC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000055251900 158023117 /nfs/dbraw/zinc/02/31/17/158023117.db2.gz GAQUGDHFTVZBBX-LBPRGKRZSA-N 0 0 323.418 0.663 10 0 DCAERN CC(C)NC(=O)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000055382675 158023232 /nfs/dbraw/zinc/02/32/32/158023232.db2.gz QXHIKEMTOHYOLV-UHFFFAOYSA-N 0 0 317.349 0.705 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)COCCOCC)CC1 ZINC000056970457 158023824 /nfs/dbraw/zinc/02/38/24/158023824.db2.gz HTXOEIKNKQGOQY-UHFFFAOYSA-N 0 0 300.399 0.804 10 0 DCAERN CCOCCOCC(=O)NCCc1nnc2n1CCCCC2 ZINC000056974362 158024360 /nfs/dbraw/zinc/02/43/60/158024360.db2.gz XJSNDNOBAVUVKE-UHFFFAOYSA-N 0 0 310.398 0.716 10 0 DCAERN CCCC(=O)NCC(=O)Nc1cccnc1N1CCOCC1 ZINC000064864191 158032989 /nfs/dbraw/zinc/03/29/89/158032989.db2.gz TYRJBRLSVYLTOJ-UHFFFAOYSA-N 0 0 306.366 0.773 10 0 DCAERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCNC(=O)CC1 ZINC000065902709 158034370 /nfs/dbraw/zinc/03/43/70/158034370.db2.gz FNMPUPFVMPKLHA-CYBMUJFWSA-N 0 0 305.309 0.667 10 0 DCAERN Cc1cccc(OCCCNC(=O)CN2CCNC(=O)CC2)c1 ZINC000065954557 158034449 /nfs/dbraw/zinc/03/44/49/158034449.db2.gz WZBOPLNIJJPMMJ-UHFFFAOYSA-N 0 0 319.405 0.702 10 0 DCAERN CC(C)C(=O)Nc1nc(CC(=O)N2CCNC(=O)CC2)cs1 ZINC000065902086 158035160 /nfs/dbraw/zinc/03/51/60/158035160.db2.gz BZIRBNFNBIKQPQ-UHFFFAOYSA-N 0 0 324.406 0.629 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000068017186 158040741 /nfs/dbraw/zinc/04/07/41/158040741.db2.gz JVNHJRBQYIBARD-NEPJUHHUSA-N 0 0 320.397 0.399 10 0 DCAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCNC(=O)CC1 ZINC000068258399 158042389 /nfs/dbraw/zinc/04/23/89/158042389.db2.gz WBEFOUJWOJKAHV-CYBMUJFWSA-N 0 0 323.418 0.851 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCNC(=O)CC2)c1 ZINC000068465488 158043550 /nfs/dbraw/zinc/04/35/50/158043550.db2.gz UFXUZHDDGVINRL-UHFFFAOYSA-N 0 0 303.362 0.382 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000072751967 158051871 /nfs/dbraw/zinc/05/18/71/158051871.db2.gz HCKOKHFEGWVHBP-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000074366861 158058207 /nfs/dbraw/zinc/05/82/07/158058207.db2.gz DSRFFZYRUCKPBP-STQMWFEESA-N 0 0 324.425 0.650 10 0 DCAERN Cc1noc(COCC(=O)NCc2nnc3n2CCCCC3)n1 ZINC000074691245 158060052 /nfs/dbraw/zinc/06/00/52/158060052.db2.gz WAAPJIJVMIDMEK-UHFFFAOYSA-N 0 0 320.353 0.529 10 0 DCAERN CSC[C@H](CCO)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000077513080 158068038 /nfs/dbraw/zinc/06/80/38/158068038.db2.gz RJLGULLOMJDCSA-VIFPVBQESA-N 0 0 307.375 0.767 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)CCO1 ZINC000077719750 158068680 /nfs/dbraw/zinc/06/86/80/158068680.db2.gz HOGKXTIRQXUENO-JTQLQIEISA-N 0 0 316.317 0.922 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)CC1)C(=O)N1CCCC[C@@H]1C ZINC000077619237 158068759 /nfs/dbraw/zinc/06/87/59/158068759.db2.gz MKKXUXMZQNJQIT-NWDGAFQWSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)(NC(=O)CCN1c2ccccc2CCC1=O)C(N)=O ZINC000078122895 158071447 /nfs/dbraw/zinc/07/14/47/158071447.db2.gz VMRCIUJXGAYOEQ-UHFFFAOYSA-N 0 0 303.362 0.736 10 0 DCAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCNC(=O)CC1 ZINC000077853769 158071892 /nfs/dbraw/zinc/07/18/92/158071892.db2.gz WABMZNXYVVLXET-CQSZACIVSA-N 0 0 305.378 0.684 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 ZINC000078325506 158073004 /nfs/dbraw/zinc/07/30/04/158073004.db2.gz SBKYXDHDVCTOIV-CQSZACIVSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1ccc([C@H]2C[C@H]2C(=O)NCCN2C(=O)CNC2=O)s1 ZINC000078693209 158073783 /nfs/dbraw/zinc/07/37/83/158073783.db2.gz OACLXBPMBDNSTI-VHSXEESVSA-N 0 0 307.375 0.828 10 0 DCAERN CCOc1c(F)cccc1C(=O)NCCCNS(C)(=O)=O ZINC000079462074 158078411 /nfs/dbraw/zinc/07/84/11/158078411.db2.gz RJQLWSJQPKGBBY-UHFFFAOYSA-N 0 0 318.370 0.894 10 0 DCAERN CSc1ccc(CNC(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000079727168 158078527 /nfs/dbraw/zinc/07/85/27/158078527.db2.gz IXCZAEWGXIPKLB-UHFFFAOYSA-N 0 0 305.363 0.415 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)c1cn(CC(N)=O)nn1 ZINC000079813408 158079983 /nfs/dbraw/zinc/07/99/83/158079983.db2.gz ZGFBSULHLKASJY-UHFFFAOYSA-N 0 0 316.365 0.253 10 0 DCAERN O=C(NC1CCN(c2ccccn2)CC1)N1CCNC(=O)C1 ZINC000080007046 158080293 /nfs/dbraw/zinc/08/02/93/158080293.db2.gz WFLDBPOXVVDKBH-UHFFFAOYSA-N 0 0 303.366 0.192 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1nccs1 ZINC000081187797 158082560 /nfs/dbraw/zinc/08/25/60/158082560.db2.gz YYOTZBJJEQJMBU-ZJUUUORDSA-N 0 0 305.425 0.929 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000081074137 158082742 /nfs/dbraw/zinc/08/27/42/158082742.db2.gz VJUQCVXSQWOHHF-CMPLNLGQSA-N 0 0 313.427 0.988 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081476057 158084703 /nfs/dbraw/zinc/08/47/03/158084703.db2.gz RZQPCSIUHXAVJM-KCJUWKMLSA-N 0 0 309.288 0.364 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCc1ccc(C(N)=O)o1 ZINC000083180144 158087044 /nfs/dbraw/zinc/08/70/44/158087044.db2.gz MYGMQHCNKCUOAS-UHFFFAOYSA-N 0 0 317.349 0.839 10 0 DCAERN O=C(c1ccc(Cl)cc1O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796737 158088927 /nfs/dbraw/zinc/08/89/27/158088927.db2.gz CKGUOCNSHRSBMY-CYBMUJFWSA-N 0 0 309.709 0.470 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCN1CCOCC1 ZINC000086990720 158091956 /nfs/dbraw/zinc/09/19/56/158091956.db2.gz HPHNBOFPGIHEOB-GFCCVEGCSA-N 0 0 322.413 0.307 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1 ZINC000089165401 158096405 /nfs/dbraw/zinc/09/64/05/158096405.db2.gz VOWXCKVAIDNMIU-AAEUAGOBSA-N 0 0 313.375 0.913 10 0 DCAERN COc1ccc(C(=O)NC[C@](C)(O)CO)cc1Br ZINC000090285810 158102880 /nfs/dbraw/zinc/10/28/80/158102880.db2.gz MTXJPUAJYNTBTF-LBPRGKRZSA-N 0 0 318.167 0.931 10 0 DCAERN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CNC(=O)C1 ZINC000090501052 158103643 /nfs/dbraw/zinc/10/36/43/158103643.db2.gz MVBOOYJFBUVLIQ-KBPBESRZSA-N 0 0 315.373 0.430 10 0 DCAERN Cc1c(CNC(=O)c2cnc3c(C)cccn3c2=O)cnn1C ZINC000091079790 158106423 /nfs/dbraw/zinc/10/64/23/158106423.db2.gz DTPNIBVXCDLOPF-UHFFFAOYSA-N 0 0 311.345 0.975 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cnc12 ZINC000091077228 158107045 /nfs/dbraw/zinc/10/70/45/158107045.db2.gz ZEKAFRLIRVIWCX-MRXNPFEDSA-N 0 0 318.377 0.045 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CC[C@H](O)C1 ZINC000091259488 158107936 /nfs/dbraw/zinc/10/79/36/158107936.db2.gz IFCJESDZTJZHBH-NSHDSACASA-N 0 0 302.290 0.268 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)C1 ZINC000091394850 158108303 /nfs/dbraw/zinc/10/83/03/158108303.db2.gz NJFZPUURDNZLGS-LBPRGKRZSA-N 0 0 315.439 0.565 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701135 158120477 /nfs/dbraw/zinc/12/04/77/158120477.db2.gz CFNFPRBXMGBSFX-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN COCc1cc(NC(=O)N[C@H]2CCc3nc(C)nn3C2)ncn1 ZINC000093311150 158121529 /nfs/dbraw/zinc/12/15/29/158121529.db2.gz HONRPOLBKCBXNJ-JTQLQIEISA-N 0 0 317.353 0.659 10 0 DCAERN CCCNC(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869523 158130265 /nfs/dbraw/zinc/13/02/65/158130265.db2.gz VSPLIZIMQRJWCD-AWEZNQCLSA-N 0 0 307.442 0.843 10 0 DCAERN OC[C@@H]1CCCN(c2cc(N3CCN(C4CC4)CC3)ncn2)C1 ZINC000105788727 158130997 /nfs/dbraw/zinc/13/09/97/158130997.db2.gz ISHXPNVCRHWDBV-CQSZACIVSA-N 0 0 317.437 0.970 10 0 DCAERN C[C@H](NC(=O)CN1CCC(Cn2cccn2)CC1)C(=O)N(C)C ZINC000105887176 158132126 /nfs/dbraw/zinc/13/21/26/158132126.db2.gz HBIKKTYCIKIJOR-ZDUSSCGKSA-N 0 0 321.425 0.188 10 0 DCAERN CCNC(=O)N1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000111196156 158140088 /nfs/dbraw/zinc/14/00/88/158140088.db2.gz NPTHZHRLMQLZIU-UHFFFAOYSA-N 0 0 323.397 0.811 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000110986727 158140489 /nfs/dbraw/zinc/14/04/89/158140489.db2.gz FWQQHKKFBCPEMN-LLVKDONJSA-N 0 0 301.350 0.636 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCO2 ZINC000113298818 158146802 /nfs/dbraw/zinc/14/68/02/158146802.db2.gz FGXZCZBTOONTAY-LLVKDONJSA-N 0 0 320.374 0.506 10 0 DCAERN CCN(C(=O)NCC1(C)COC1)[C@@H](C)CS(=O)(=O)CC ZINC000113392799 158147882 /nfs/dbraw/zinc/14/78/82/158147882.db2.gz MENZFLBQBVRHAN-NSHDSACASA-N 0 0 306.428 0.878 10 0 DCAERN CCc1nc(CNC(=O)NCCN2C(=O)CCC2=O)cs1 ZINC000113975000 158150483 /nfs/dbraw/zinc/15/04/83/158150483.db2.gz YJKOCBZFJIRFDU-UHFFFAOYSA-N 0 0 310.379 0.654 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@@H](c3nncn3C)C2)n1 ZINC000114317670 158151797 /nfs/dbraw/zinc/15/17/97/158151797.db2.gz ZRCQLMKKFWVCQO-LLVKDONJSA-N 0 0 320.353 0.429 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC)C1)CC2 ZINC000114869957 158158966 /nfs/dbraw/zinc/15/89/66/158158966.db2.gz ZJLNKONJEBHWKN-QWRGUYRKSA-N 0 0 305.382 0.140 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CC(=O)N(C)C3)CC2)n1 ZINC000116669374 158166360 /nfs/dbraw/zinc/16/63/60/158166360.db2.gz HHTFVQWHPVKPIL-CYBMUJFWSA-N 0 0 316.405 0.953 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCC[S@](C)=O)c1 ZINC000117925100 158174590 /nfs/dbraw/zinc/17/45/90/158174590.db2.gz WIYMEOJMQUSISL-GOSISDBHSA-N 0 0 305.421 0.883 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 ZINC000117951720 158174690 /nfs/dbraw/zinc/17/46/90/158174690.db2.gz TZMOICBKOCPHAD-UHFFFAOYSA-N 0 0 313.317 0.897 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000117927407 158174821 /nfs/dbraw/zinc/17/48/21/158174821.db2.gz IWMIVIQGXHJNKX-TXEJJXNPSA-N 0 0 302.400 0.135 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccncc1)C1CC1 ZINC000118778500 158179565 /nfs/dbraw/zinc/17/95/65/158179565.db2.gz IUJCFKWEHQAVEA-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000119881752 158191249 /nfs/dbraw/zinc/19/12/49/158191249.db2.gz PLVDAXRNULVRQF-KGLIPLIRSA-N 0 0 321.421 0.892 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119932817 158191890 /nfs/dbraw/zinc/19/18/90/158191890.db2.gz RBVCGNCPYKWYEV-OCCSQVGLSA-N 0 0 318.439 0.422 10 0 DCAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cc[nH]n3)CC2)C1 ZINC000121072203 158206805 /nfs/dbraw/zinc/20/68/05/158206805.db2.gz QJCSLQHBVWXFJO-MRXNPFEDSA-N 0 0 307.442 0.637 10 0 DCAERN NC(=O)Cn1cc(-c2nc(COc3ccc(F)cc3)no2)nn1 ZINC000121443636 158210334 /nfs/dbraw/zinc/21/03/34/158210334.db2.gz RKTZFGIJVNVPKD-UHFFFAOYSA-N 0 0 318.268 0.532 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121684083 158212724 /nfs/dbraw/zinc/21/27/24/158212724.db2.gz BJBITORFPYZWBE-GFCCVEGCSA-N 0 0 322.413 0.316 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000121639220 158213499 /nfs/dbraw/zinc/21/34/99/158213499.db2.gz RRFOTCVUBNBVNV-SNVBAGLBSA-N 0 0 317.415 0.436 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122298997 158220101 /nfs/dbraw/zinc/22/01/01/158220101.db2.gz WWDQKRLOGTUXDC-RYUDHWBXSA-N 0 0 316.423 0.423 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000122714937 158223170 /nfs/dbraw/zinc/22/31/70/158223170.db2.gz DWCPQXBRYFCCOU-OLZOCXBDSA-N 0 0 318.439 0.874 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H](Oc3cccnc3)C2)ccc1=O ZINC000123266995 158228372 /nfs/dbraw/zinc/22/83/72/158228372.db2.gz HLFLGVKVMJXEOT-LBPRGKRZSA-N 0 0 300.318 0.469 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000123336291 158229521 /nfs/dbraw/zinc/22/95/21/158229521.db2.gz NBOAYSBFJGFINF-VXGBXAGGSA-N 0 0 305.382 0.574 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](N3CCOCC3)C2)[nH]n1 ZINC000124822640 158247866 /nfs/dbraw/zinc/24/78/66/158247866.db2.gz XJUPSPQDIHZUDL-SWLSCSKDSA-N 0 0 321.425 0.765 10 0 DCAERN CNc1c(Cl)ncnc1NC[C@](C)(O)CN1CCOCC1 ZINC000124999448 158249253 /nfs/dbraw/zinc/24/92/53/158249253.db2.gz GKEDFVPRQOKNOH-ZDUSSCGKSA-N 0 0 315.805 0.667 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000125056341 158251136 /nfs/dbraw/zinc/25/11/36/158251136.db2.gz HEXALRZOCIWVBM-ZDUSSCGKSA-N 0 0 304.394 0.916 10 0 DCAERN CN(C(=O)N[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000125322354 158253974 /nfs/dbraw/zinc/25/39/74/158253974.db2.gz QLYXTIKVVPAMCF-ZYHUDNBSSA-N 0 0 310.375 0.949 10 0 DCAERN CC[C@H]1CN(C(=O)CS(=O)(=O)CC)CCN1CC(F)F ZINC000125756581 158259015 /nfs/dbraw/zinc/25/90/15/158259015.db2.gz UHDWTBJVUDCUBX-JTQLQIEISA-N 0 0 312.382 0.609 10 0 DCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000126234210 158263446 /nfs/dbraw/zinc/26/34/46/158263446.db2.gz FIXZRPHEMDBUIS-IVZWLZJFSA-N 0 0 301.387 0.916 10 0 DCAERN C[C@@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126687753 158268088 /nfs/dbraw/zinc/26/80/88/158268088.db2.gz IKESDAABLPMOBC-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127019692 158270043 /nfs/dbraw/zinc/27/00/43/158270043.db2.gz XTJJZQVEHKZGLU-CQSZACIVSA-N 0 0 314.407 0.705 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000126992523 158270575 /nfs/dbraw/zinc/27/05/75/158270575.db2.gz ZMFXNMZLNFYSOK-ZDUSSCGKSA-N 0 0 306.410 0.954 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc[nH]c1=O ZINC000127142068 158271822 /nfs/dbraw/zinc/27/18/22/158271822.db2.gz XTCADMJSJVQHKD-JTQLQIEISA-N 0 0 303.322 0.790 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127406596 158272367 /nfs/dbraw/zinc/27/23/67/158272367.db2.gz MYDBFZAHINTGPH-OAHLLOKOSA-N 0 0 317.389 0.396 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000127348546 158273259 /nfs/dbraw/zinc/27/32/59/158273259.db2.gz ONUGGESCYJUMGH-AWEZNQCLSA-N 0 0 317.397 0.905 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000127889427 158276708 /nfs/dbraw/zinc/27/67/08/158276708.db2.gz LROKDRXXPNNZEK-ZDUSSCGKSA-N 0 0 319.409 0.615 10 0 DCAERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000129073975 158284740 /nfs/dbraw/zinc/28/47/40/158284740.db2.gz SMSFUAABEOXANE-CYBMUJFWSA-N 0 0 324.425 0.607 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000129122919 158286684 /nfs/dbraw/zinc/28/66/84/158286684.db2.gz FZDMLJHNNMXLBN-DGCLKSJQSA-N 0 0 317.349 0.969 10 0 DCAERN C[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)[C@H](C)CO ZINC000131721972 158304763 /nfs/dbraw/zinc/30/47/63/158304763.db2.gz CUDLBSTZKCGCDH-RKDXNWHRSA-N 0 0 304.368 0.277 10 0 DCAERN O=C(CCC(=O)N1CCO[C@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000132385171 158310643 /nfs/dbraw/zinc/31/06/43/158310643.db2.gz KMHKNCPWXQVCAT-KBPBESRZSA-N 0 0 310.394 0.795 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000132356181 158310730 /nfs/dbraw/zinc/31/07/30/158310730.db2.gz OEEFJXZBVVMAAT-LLVKDONJSA-N 0 0 324.381 0.612 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000132604655 158312888 /nfs/dbraw/zinc/31/28/88/158312888.db2.gz WHDWGZQGDHSULH-MNOVXSKESA-N 0 0 306.366 0.380 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc(-n2cncn2)c1 ZINC000133318018 158317857 /nfs/dbraw/zinc/31/78/57/158317857.db2.gz ORURBTDEPWRRME-NSHDSACASA-N 0 0 322.390 0.820 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)o1 ZINC000133976035 158323280 /nfs/dbraw/zinc/32/32/80/158323280.db2.gz GXEDADCQHKFZGI-ZDUSSCGKSA-N 0 0 303.318 0.895 10 0 DCAERN NC(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134784098 158330769 /nfs/dbraw/zinc/33/07/69/158330769.db2.gz UVVSEXIGYPYREW-VIFPVBQESA-N 0 0 311.773 0.488 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@H]1CNC(=O)C1 ZINC000134800760 158330806 /nfs/dbraw/zinc/33/08/06/158330806.db2.gz LDKSERFNMNFDLC-ZJUUUORDSA-N 0 0 308.769 0.566 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)c1 ZINC000134768014 158331385 /nfs/dbraw/zinc/33/13/85/158331385.db2.gz ITASYHUKWZGBKB-NSHDSACASA-N 0 0 302.400 0.314 10 0 DCAERN CNC(=O)NCC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000134831670 158331386 /nfs/dbraw/zinc/33/13/86/158331386.db2.gz FIDIWWZIOMYYAA-CYBMUJFWSA-N 0 0 309.341 0.963 10 0 DCAERN Nc1ccnc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135164537 158333484 /nfs/dbraw/zinc/33/34/84/158333484.db2.gz JSIMJQOOTQJDBO-NSHDSACASA-N 0 0 311.411 0.059 10 0 DCAERN C[C@H](NC(=O)CN1CSCC1=O)c1nnc2n1CCCC2 ZINC000135276194 158335261 /nfs/dbraw/zinc/33/52/61/158335261.db2.gz WQHIZUKMPWTKTJ-VIFPVBQESA-N 0 0 309.395 0.325 10 0 DCAERN CN1C[C@@H](C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1=O ZINC000135419433 158335990 /nfs/dbraw/zinc/33/59/90/158335990.db2.gz ADOXYJOYOJFYAM-GXTWGEPZSA-N 0 0 304.346 0.770 10 0 DCAERN CC(=O)c1cnc(NC(=O)Cn2nc3ccccn3c2=O)s1 ZINC000135436987 158336082 /nfs/dbraw/zinc/33/60/82/158336082.db2.gz RUUBTHXSVWNXTF-UHFFFAOYSA-N 0 0 317.330 0.794 10 0 DCAERN CCN(CC)C(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716063 158340206 /nfs/dbraw/zinc/34/02/06/158340206.db2.gz VRSJYLPKPJVMLU-CYBMUJFWSA-N 0 0 317.455 0.355 10 0 DCAERN NC(=O)COCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000136027664 158341460 /nfs/dbraw/zinc/34/14/60/158341460.db2.gz WNLPHLZPLULBNF-UHFFFAOYSA-N 0 0 322.752 0.757 10 0 DCAERN COCCOCCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000138441681 158346542 /nfs/dbraw/zinc/34/65/42/158346542.db2.gz NVSGRNCYCBYBKV-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN NC(=O)COc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000151023944 158348629 /nfs/dbraw/zinc/34/86/29/158348629.db2.gz CLKZIGLGDPTRHN-JSGCOSHPSA-N 0 0 306.362 0.832 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000166720251 158366854 /nfs/dbraw/zinc/36/68/54/158366854.db2.gz RRABHASQMORPLN-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1C ZINC000166871311 158366923 /nfs/dbraw/zinc/36/69/23/158366923.db2.gz HKXLPORVSFYKBA-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN COc1ccc(CCNC(=O)[C@]2(C)CNC(=O)C2)cc1OC ZINC000170246814 158374462 /nfs/dbraw/zinc/37/44/62/158374462.db2.gz KBOCEXCNDPEKMW-INIZCTEOSA-N 0 0 306.362 0.889 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)CC2 ZINC000170737756 158376115 /nfs/dbraw/zinc/37/61/15/158376115.db2.gz PNCGXSIYAGNQSN-JQWIXIFHSA-N 0 0 313.427 0.468 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@@H]2C1 ZINC000171584977 158384547 /nfs/dbraw/zinc/38/45/47/158384547.db2.gz KYGZRFVSKFJCLC-VXGBXAGGSA-N 0 0 318.464 0.213 10 0 DCAERN O=C(NCCNC(=O)N1CCN(C2CC2)CC1)c1cccs1 ZINC000171629782 158384881 /nfs/dbraw/zinc/38/48/81/158384881.db2.gz VODOBBOQJDNWKA-UHFFFAOYSA-N 0 0 322.434 0.968 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)c1cnn(C)c1 ZINC000171837355 158387253 /nfs/dbraw/zinc/38/72/53/158387253.db2.gz NZILWUCLECIEQP-GFCCVEGCSA-N 0 0 306.366 0.462 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171834674 158387327 /nfs/dbraw/zinc/38/73/27/158387327.db2.gz LOAFVXVGSPEUOC-CYBMUJFWSA-N 0 0 317.411 0.259 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000171902364 158388322 /nfs/dbraw/zinc/38/83/22/158388322.db2.gz GHVQTGGNSYRIBK-LBPRGKRZSA-N 0 0 320.397 0.223 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172359685 158393676 /nfs/dbraw/zinc/39/36/76/158393676.db2.gz RUMCULPUISDMSG-NNQSOWQGSA-N 0 0 313.361 0.895 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H]1CCC[C@H](C(N)=O)C1)N1CCCC1=O ZINC000172438779 158394039 /nfs/dbraw/zinc/39/40/39/158394039.db2.gz ZQAZHCBPWWEQPQ-SGMGOOAPSA-N 0 0 309.410 0.794 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172543103 158395588 /nfs/dbraw/zinc/39/55/88/158395588.db2.gz RGYLSNRJZQPDBS-FRRDWIJNSA-N 0 0 312.414 0.050 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172542087 158395772 /nfs/dbraw/zinc/39/57/72/158395772.db2.gz ZZISAPLVQLNCOL-DGCLKSJQSA-N 0 0 319.409 0.991 10 0 DCAERN CC(C)[C@H](C)CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000172580744 158396383 /nfs/dbraw/zinc/39/63/83/158396383.db2.gz JJEFEZJWZQDODM-SNVBAGLBSA-N 0 0 302.400 0.107 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)CCC1=O ZINC000172619285 158396666 /nfs/dbraw/zinc/39/66/66/158396666.db2.gz OIMLVXQUEVXWLE-KYOSRNDESA-N 0 0 303.362 0.565 10 0 DCAERN COC[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000172624466 158396791 /nfs/dbraw/zinc/39/67/91/158396791.db2.gz YJOUXUOOBQNQNT-CQSZACIVSA-N 0 0 302.334 0.755 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172742052 158398825 /nfs/dbraw/zinc/39/88/25/158398825.db2.gz RLAVZKDVNZZCOQ-HNNXBMFYSA-N 0 0 317.389 0.867 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)C1 ZINC000173033190 158402277 /nfs/dbraw/zinc/40/22/77/158402277.db2.gz HCYSOPDXSYKPPR-ZDUSSCGKSA-N 0 0 307.350 0.381 10 0 DCAERN CC(C)COC1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1 ZINC000173168785 158403982 /nfs/dbraw/zinc/40/39/82/158403982.db2.gz DEULCVPTVYHKTF-UHFFFAOYSA-N 0 0 320.455 0.978 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173130187 158404148 /nfs/dbraw/zinc/40/41/48/158404148.db2.gz LKDWCAVWFLTKAH-JQWIXIFHSA-N 0 0 321.352 0.554 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000174195986 158415720 /nfs/dbraw/zinc/41/57/20/158415720.db2.gz VMKFWQKBGFULGU-UHFFFAOYSA-N 0 0 320.397 0.410 10 0 DCAERN CCc1nnc2ccc(N3CCO[C@@H](c4nnc(C)[nH]4)C3)nn21 ZINC000175777936 158430258 /nfs/dbraw/zinc/43/02/58/158430258.db2.gz ASSGAPMHCWPVIR-SNVBAGLBSA-N 0 0 314.353 0.691 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000176710785 158441137 /nfs/dbraw/zinc/44/11/37/158441137.db2.gz SCACTOCSFKBIIZ-JTQLQIEISA-N 0 0 319.365 0.405 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000178899619 158465182 /nfs/dbraw/zinc/46/51/82/158465182.db2.gz BVZFSGJWKVXNPK-JTQLQIEISA-N 0 0 306.370 0.675 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000179168565 158469113 /nfs/dbraw/zinc/46/91/13/158469113.db2.gz QRXQRJOIAMMZGX-AAEUAGOBSA-N 0 0 306.366 0.695 10 0 DCAERN C[C@@H](NC(=O)NCCS(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000179200608 158469251 /nfs/dbraw/zinc/46/92/51/158469251.db2.gz ZODJQIAPGGCIQQ-ZYHUDNBSSA-N 0 0 312.391 0.895 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ncn(-c2ccccc2)n1)C(C)C ZINC000179453113 158471752 /nfs/dbraw/zinc/47/17/52/158471752.db2.gz FIFGSTOSOQQBCA-GFCCVEGCSA-N 0 0 301.350 0.768 10 0 DCAERN CCOCCS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180966900 158482382 /nfs/dbraw/zinc/48/23/82/158482382.db2.gz OQAZOCBXFSQAAJ-GFCCVEGCSA-N 0 0 302.400 0.356 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000182832937 158494017 /nfs/dbraw/zinc/49/40/17/158494017.db2.gz HWYTVJFDRIRCGP-BLLLJJGKSA-N 0 0 312.410 0.681 10 0 DCAERN CN1CC(=O)N(CC(=O)N2Cc3ccccc3C3(CC3)C2)C1=O ZINC000184597309 158509393 /nfs/dbraw/zinc/50/93/93/158509393.db2.gz YWOBWTPMQMZEDH-UHFFFAOYSA-N 0 0 313.357 0.954 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCN(c3cccs3)C(=O)C2)C1=O ZINC000184662130 158510224 /nfs/dbraw/zinc/51/02/24/158510224.db2.gz MRMBWVZNKGWFPW-JTQLQIEISA-N 0 0 322.390 0.337 10 0 DCAERN CCN(Cc1nc(N(C)C)no1)[C@@H](C)CS(=O)(=O)CC ZINC000185261525 158518676 /nfs/dbraw/zinc/51/86/76/158518676.db2.gz NHLDZNKVLMTZFA-JTQLQIEISA-N 0 0 304.416 0.781 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187387931 158538158 /nfs/dbraw/zinc/53/81/58/158538158.db2.gz LFWBNQPFTONODX-LBPRGKRZSA-N 0 0 311.426 0.951 10 0 DCAERN O=C(c1cc[nH]c(=O)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188091475 158542977 /nfs/dbraw/zinc/54/29/77/158542977.db2.gz UNGPFEARQRRGMX-UHFFFAOYSA-N 0 0 313.361 0.938 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)n[nH]1 ZINC000189716580 158554535 /nfs/dbraw/zinc/55/45/35/158554535.db2.gz KGXFPSQNMATEFW-NSHDSACASA-N 0 0 308.386 0.026 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)n[nH]1 ZINC000189756619 158554750 /nfs/dbraw/zinc/55/47/50/158554750.db2.gz HLGJNRQKKWTCJS-ZIAGYGMSSA-N 0 0 322.409 0.951 10 0 DCAERN CC[C@@H](C(=O)N1CCN(c2cc(C)[nH]n2)CC1)N1CCCC1=O ZINC000189772480 158555796 /nfs/dbraw/zinc/55/57/96/158555796.db2.gz GIIDWDLDUAPTML-ZDUSSCGKSA-N 0 0 319.409 0.768 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2ccccc2)CC1=O ZINC000190782925 158563677 /nfs/dbraw/zinc/56/36/77/158563677.db2.gz SOQNHQUCWGNFKH-UHFFFAOYSA-N 0 0 305.378 0.806 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CC1=O ZINC000191507950 158568735 /nfs/dbraw/zinc/56/87/35/158568735.db2.gz WVZMWCFEZFZSFD-UHFFFAOYSA-N 0 0 301.346 0.762 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000191518115 158569295 /nfs/dbraw/zinc/56/92/95/158569295.db2.gz IZMPFMCBGOSQTM-OLZOCXBDSA-N 0 0 317.393 0.580 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nc(N(C)C)no1 ZINC000193883973 158590141 /nfs/dbraw/zinc/59/01/41/158590141.db2.gz ZPSVCQPYTJEFDN-LLVKDONJSA-N 0 0 311.386 0.253 10 0 DCAERN Cn1cc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC000194777811 158600779 /nfs/dbraw/zinc/60/07/79/158600779.db2.gz DWWKNJRNYKUAII-UHFFFAOYSA-N 0 0 320.393 0.060 10 0 DCAERN CCCOC(=O)[C@@H](C)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246939691 158674668 /nfs/dbraw/zinc/67/46/68/158674668.db2.gz NNHUCZVTIFHBOL-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000247007965 158675900 /nfs/dbraw/zinc/67/59/00/158675900.db2.gz ZBIPQYYRZJLCIU-GUBZILKMSA-N 0 0 320.436 0.548 10 0 DCAERN COc1nc(N2C[C@H](OC)C[C@H]2CO)ncc1Br ZINC000284648452 158962522 /nfs/dbraw/zinc/96/25/22/158962522.db2.gz WNYQXFRAWRCHOZ-JGVFFNPUSA-N 0 0 318.171 0.834 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328601578 159014269 /nfs/dbraw/zinc/01/42/69/159014269.db2.gz FRUBYRXBGKICAV-AAEUAGOBSA-N 0 0 315.439 0.011 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328638211 159016683 /nfs/dbraw/zinc/01/66/83/159016683.db2.gz DCUOFHWZBHGRFG-GHMZBOCLSA-N 0 0 317.411 0.555 10 0 DCAERN C[C@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)N1CCN(C)CC1 ZINC000328642393 159016800 /nfs/dbraw/zinc/01/68/00/159016800.db2.gz DVDFDMUSWHMCNS-GDBMZVCRSA-N 0 0 317.437 0.190 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1)N1CCCCC1=O ZINC000328681939 159020565 /nfs/dbraw/zinc/02/05/65/159020565.db2.gz OLIJPYULDKNURA-TZMCWYRMSA-N 0 0 322.405 0.984 10 0 DCAERN CO[C@@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1OC ZINC000328688001 159021670 /nfs/dbraw/zinc/02/16/70/159021670.db2.gz ZLJLZYJTDZRSBJ-MGPQQGTHSA-N 0 0 308.382 0.261 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328686602 159021743 /nfs/dbraw/zinc/02/17/43/159021743.db2.gz YIGCAMFTHXUMJJ-WDEREUQCSA-N 0 0 317.411 0.426 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@H]1c1ncon1)N1CCCCC1=O ZINC000328712304 159023247 /nfs/dbraw/zinc/02/32/47/159023247.db2.gz BNNUCOWSAAGROQ-RYUDHWBXSA-N 0 0 322.365 0.761 10 0 DCAERN COCCN1CN(C(=O)C[C@H](C)N2CCCCC2=O)CC1=O ZINC000328754325 159026792 /nfs/dbraw/zinc/02/67/92/159026792.db2.gz SGQRQVBHGRRROV-LBPRGKRZSA-N 0 0 311.382 0.052 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)N(C)C1 ZINC000328954797 159045573 /nfs/dbraw/zinc/04/55/73/159045573.db2.gz NACLREJQLXZUCW-OFQRWUPVSA-N 0 0 322.409 0.213 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328953852 159046185 /nfs/dbraw/zinc/04/61/85/159046185.db2.gz MPEVBWREEZQPPN-VIFPVBQESA-N 0 0 324.366 0.254 10 0 DCAERN CCOc1nnc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)s1 ZINC000329158610 159068743 /nfs/dbraw/zinc/06/87/43/159068743.db2.gz DONPEDBMGIRRSI-DTWKUNHWSA-N 0 0 303.409 0.556 10 0 DCAERN CS(=O)(=O)c1nnc(CN2CCO[C@@H](C3CC3)C2)s1 ZINC000329167105 159069709 /nfs/dbraw/zinc/06/97/09/159069709.db2.gz ICDPDVWGIYGIGX-SECBINFHSA-N 0 0 303.409 0.552 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)nc1 ZINC000329169929 159069955 /nfs/dbraw/zinc/06/99/55/159069955.db2.gz JKTMOFGJTUKRNG-GJZGRUSLSA-N 0 0 305.378 0.564 10 0 DCAERN CN(C)c1nc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ns1 ZINC000329200316 159072776 /nfs/dbraw/zinc/07/27/76/159072776.db2.gz WFYHIASQKNIYBO-DTWKUNHWSA-N 0 0 302.425 0.223 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@H](c3nccs3)C2)c(=O)[nH]c1=O ZINC000329213480 159074313 /nfs/dbraw/zinc/07/43/13/159074313.db2.gz JNIMIWCVYVKHMH-VIFPVBQESA-N 0 0 320.374 0.962 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H](C3CC3)C2)nn1 ZINC000329304410 159080864 /nfs/dbraw/zinc/08/08/64/159080864.db2.gz AGWCWNOBVUOWMY-HZSPNIEDSA-N 0 0 322.365 0.115 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(C)CCCOC3)CCO2)n1 ZINC000329342697 159083748 /nfs/dbraw/zinc/08/37/48/159083748.db2.gz PSVGWEUTTDESRX-GOEBONIOSA-N 0 0 322.409 0.939 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NC[C@@H]2CCc3nccn3C2)CCO1 ZINC000329369161 159085958 /nfs/dbraw/zinc/08/59/58/159085958.db2.gz AJAAVNWJLMSIDM-FRRDWIJNSA-N 0 0 313.423 0.932 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000329382962 159087139 /nfs/dbraw/zinc/08/71/39/159087139.db2.gz OQNZMXZNAXRQQF-RQJABVFESA-N 0 0 306.366 0.359 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000329376743 159087295 /nfs/dbraw/zinc/08/72/95/159087295.db2.gz LNMYETSRDITKMT-NWDGAFQWSA-N 0 0 316.423 0.628 10 0 DCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329416102 159090943 /nfs/dbraw/zinc/09/09/43/159090943.db2.gz GDRZMQPKCJXJOZ-FRRDWIJNSA-N 0 0 319.423 0.606 10 0 DCAERN Cc1nnc2n1C[C@@H](CN1C(=O)N3CCC[C@]3(C)C1=O)CC2 ZINC000329515730 159099030 /nfs/dbraw/zinc/09/90/30/159099030.db2.gz YPBQKABOLISPON-XHDPSFHLSA-N 0 0 303.366 0.966 10 0 DCAERN O=S(=O)(c1ccc2c(c1)COC2)N1CC(n2ccnn2)C1 ZINC000329513563 159099087 /nfs/dbraw/zinc/09/90/87/159099087.db2.gz CNYNDNUKGYCYOV-UHFFFAOYSA-N 0 0 306.347 0.554 10 0 DCAERN c1[nH]nc([C@@H]2CCOC2)c1-c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329579498 159103629 /nfs/dbraw/zinc/10/36/29/159103629.db2.gz KTZHKOPGBRJAIA-ZYHUDNBSSA-N 0 0 316.365 0.636 10 0 DCAERN C[C@]12CCCN1C[C@H](c1noc(CN3CCOCC3=O)n1)OC2 ZINC000329653056 159108856 /nfs/dbraw/zinc/10/88/56/159108856.db2.gz DPBUIAVGAASLQS-IAQYHMDHSA-N 0 0 322.365 0.354 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329695750 159113198 /nfs/dbraw/zinc/11/31/98/159113198.db2.gz XPWWRIPXQCWPRF-KBPBESRZSA-N 0 0 305.382 0.528 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329727625 159115278 /nfs/dbraw/zinc/11/52/78/159115278.db2.gz FGSGBJPLSSGRPN-ZKYQVNSYSA-N 0 0 314.345 0.021 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1N1CCOCC1 ZINC000329754195 159117543 /nfs/dbraw/zinc/11/75/43/159117543.db2.gz XDLFWMVQOIHVOU-RBSFLKMASA-N 0 0 323.437 0.424 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC(=O)N(C)C1 ZINC000329796595 159120351 /nfs/dbraw/zinc/12/03/51/159120351.db2.gz WXXMKNAETVGIBZ-OAHLLOKOSA-N 0 0 315.373 0.781 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)N(S(C)(=O)=O)C1 ZINC000329825266 159122006 /nfs/dbraw/zinc/12/20/06/159122006.db2.gz BVFOCONKELRLKC-NNYUYHANSA-N 0 0 316.423 0.150 10 0 DCAERN CCN1CCN(C[C@@H](O)CN2CCCC2=O)C[C@@H]1c1ncc[nH]1 ZINC000329892298 159126895 /nfs/dbraw/zinc/12/68/95/159126895.db2.gz ADPDJXXQMPGKSY-ZIAGYGMSSA-N 0 0 321.425 0.072 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@]2(OC)CCOC2)C[C@@H]1N1CCOCC1 ZINC000329943986 159129944 /nfs/dbraw/zinc/12/99/44/159129944.db2.gz WNPACCLBUCXBBY-IJEWVQPXSA-N 0 0 312.410 0.361 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](CO)O1 ZINC000329935395 159130536 /nfs/dbraw/zinc/13/05/36/159130536.db2.gz CMUDICGYZAWTQI-GFQSEFKGSA-N 0 0 309.366 0.106 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](CO)O1 ZINC000329935397 159130630 /nfs/dbraw/zinc/13/06/30/159130630.db2.gz CMUDICGYZAWTQI-HKUMRIAESA-N 0 0 309.366 0.106 10 0 DCAERN CCN1CCN([C@H]2CCN(C3CC3)C2=O)C[C@H]1c1ncc[nH]1 ZINC000329964550 159131840 /nfs/dbraw/zinc/13/18/40/159131840.db2.gz UNKXGWMOCDMSRX-KBPBESRZSA-N 0 0 303.410 0.852 10 0 DCAERN CCN1CCN(S(=O)(=O)c2cnnn2C)c2ccccc21 ZINC000330090415 159140775 /nfs/dbraw/zinc/14/07/75/159140775.db2.gz WUJVIUKAICBSRH-UHFFFAOYSA-N 0 0 307.379 0.850 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CC(O)(C2CC2)C1 ZINC000330086583 159140969 /nfs/dbraw/zinc/14/09/69/159140969.db2.gz MKCDNJVARAQGGS-LBPRGKRZSA-N 0 0 310.419 0.671 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000330101194 159141500 /nfs/dbraw/zinc/14/15/00/159141500.db2.gz FHXTVYBWFQOJSK-NTZNESFSSA-N 0 0 304.412 0.451 10 0 DCAERN O=C1CCCN1[C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)C1 ZINC000330159104 159146128 /nfs/dbraw/zinc/14/61/28/159146128.db2.gz QJECCVCAXXUZAG-NWDGAFQWSA-N 0 0 302.396 0.192 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@H]1OC ZINC000330177551 159148075 /nfs/dbraw/zinc/14/80/75/159148075.db2.gz KVYXPWQCRGBQJI-HZPDHXFCSA-N 0 0 317.389 0.969 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1C1CCN(c2ccccn2)CC1 ZINC000330280063 159155966 /nfs/dbraw/zinc/15/59/66/159155966.db2.gz RYMPSTRYIWCWSL-INIZCTEOSA-N 0 0 316.361 0.966 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000330302047 159158504 /nfs/dbraw/zinc/15/85/04/159158504.db2.gz OBNUSPUIGUBCTD-CYBMUJFWSA-N 0 0 303.362 0.930 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000330328249 159160674 /nfs/dbraw/zinc/16/06/74/159160674.db2.gz LMTINERQGRKIGN-LSDHHAIUSA-N 0 0 303.362 0.554 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@@H](OC)C[C@H]1CO ZINC000330512800 159184377 /nfs/dbraw/zinc/18/43/77/159184377.db2.gz JXAYHCRQXMUQCQ-QWRGUYRKSA-N 0 0 301.364 0.466 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330511995 159184532 /nfs/dbraw/zinc/18/45/32/159184532.db2.gz JZTZACNEVKZYST-LLVKDONJSA-N 0 0 304.412 0.661 10 0 DCAERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000332751340 159212295 /nfs/dbraw/zinc/21/22/95/159212295.db2.gz CCMUSSYZOSRWSR-BJJXKVORSA-N 0 0 307.394 0.866 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CCO1 ZINC000332762977 159213597 /nfs/dbraw/zinc/21/35/97/159213597.db2.gz XJQXITRPGQWQLM-SGMGOOAPSA-N 0 0 311.382 0.100 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000332862446 159215110 /nfs/dbraw/zinc/21/51/10/159215110.db2.gz QXAUOUZMHBBDJN-AGIUHOORSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)[C@H]1CCOC1 ZINC000332867177 159215243 /nfs/dbraw/zinc/21/52/43/159215243.db2.gz UCTBOZYCNZWMAD-APIJFGDWSA-N 0 0 311.426 0.916 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000332869056 159215609 /nfs/dbraw/zinc/21/56/09/159215609.db2.gz GOOXLIVZTQWIHP-NEPJUHHUSA-N 0 0 305.382 0.126 10 0 DCAERN CCCCN(CCO)C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359250744 159256079 /nfs/dbraw/zinc/25/60/79/159256079.db2.gz WMHFEJMAZSGHPW-UHFFFAOYSA-N 0 0 323.393 0.370 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCCS(=O)(=O)CC1 ZINC000364206615 159273772 /nfs/dbraw/zinc/27/37/72/159273772.db2.gz KXBKEZMELIOLRJ-UHFFFAOYSA-N 0 0 307.375 0.683 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(c2ccnc(C(N)=O)c2)C1 ZINC000366788354 159287350 /nfs/dbraw/zinc/28/73/50/159287350.db2.gz OAOOFCMCKKPYTL-ZDUSSCGKSA-N 0 0 312.377 0.681 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)Cn2cncn2)[C@]12CCCO2 ZINC000368715409 159413827 /nfs/dbraw/zinc/41/38/27/159413827.db2.gz KSVNREIEGPIBQQ-RMRHIDDWSA-N 0 0 323.397 0.692 10 0 DCAERN C[S@](=O)c1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000370102345 159497768 /nfs/dbraw/zinc/49/77/68/159497768.db2.gz CBQYADLAXGSIJP-FPTDNZKUSA-N 0 0 322.430 0.510 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000370237229 159506129 /nfs/dbraw/zinc/50/61/29/159506129.db2.gz YKMLESQTLXZJAE-CHWSQXEVSA-N 0 0 324.406 0.241 10 0 DCAERN O=C(c1ccnnc1)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000373281734 159672498 /nfs/dbraw/zinc/67/24/98/159672498.db2.gz AMPVQIGGCQXJKX-CYBMUJFWSA-N 0 0 300.293 0.929 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374842073 159755110 /nfs/dbraw/zinc/75/51/10/159755110.db2.gz RONQHFIAWHLEDX-LLVKDONJSA-N 0 0 309.395 0.363 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1=O ZINC000375246619 159779414 /nfs/dbraw/zinc/77/94/14/159779414.db2.gz WWXLGSWRCAXCPM-CYBMUJFWSA-N 0 0 321.377 0.907 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000377010305 159889911 /nfs/dbraw/zinc/88/99/11/159889911.db2.gz SCKYFUUADNSMCZ-NSHDSACASA-N 0 0 322.413 0.966 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](O)C3)C2)nn1 ZINC000377801637 159941343 /nfs/dbraw/zinc/94/13/43/159941343.db2.gz ZVFJPVUFPOMKTJ-KGLIPLIRSA-N 0 0 319.409 0.920 10 0 DCAERN CN(C(=O)[C@]1(O)CCSC1)C1CCN(c2ncccn2)CC1 ZINC000378333878 159978127 /nfs/dbraw/zinc/97/81/27/159978127.db2.gz ZFLZZMYAPXONOC-HNNXBMFYSA-N 0 0 322.434 0.772 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000407965402 159998606 /nfs/dbraw/zinc/99/86/06/159998606.db2.gz LYPNVLKWLJUKLW-GSRULGPHSA-N 0 0 311.382 0.670 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407968343 159999401 /nfs/dbraw/zinc/99/94/01/159999401.db2.gz FVYLCRNMFFIPST-GHMZBOCLSA-N 0 0 306.410 0.905 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)NC2CCCCC2)CC(=O)N1C ZINC000407974024 160000656 /nfs/dbraw/zinc/00/06/56/160000656.db2.gz ZUEMUHRUANQUFC-NSHDSACASA-N 0 0 310.398 0.307 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C ZINC000407976401 160000826 /nfs/dbraw/zinc/00/08/26/160000826.db2.gz ZQUVFOOQZJNISM-CHWSQXEVSA-N 0 0 306.410 0.747 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)C2)[nH]n1 ZINC000407980466 160001573 /nfs/dbraw/zinc/00/15/73/160001573.db2.gz IZTCEPQNTUPAFM-RTXFEEFZSA-N 0 0 306.366 0.457 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC(C)(O)C2)[C@@H]1c1cnn(C)c1 ZINC000407982875 160002801 /nfs/dbraw/zinc/00/28/01/160002801.db2.gz ABEIHFIOJIETHJ-JSGCOSHPSA-N 0 0 320.393 0.313 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000407987598 160003606 /nfs/dbraw/zinc/00/36/06/160003606.db2.gz QKFQSELUNVCXPE-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407987189 160003891 /nfs/dbraw/zinc/00/38/91/160003891.db2.gz WXQZOPQGOQQPER-ZLMDCXFVSA-N 0 0 301.412 0.254 10 0 DCAERN C[C@H](NC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCC[C@@H]1C ZINC000407989085 160004545 /nfs/dbraw/zinc/00/45/45/160004545.db2.gz WLURNIJUGRNQDW-STQMWFEESA-N 0 0 324.425 0.698 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000407989169 160004624 /nfs/dbraw/zinc/00/46/24/160004624.db2.gz IHCPYIKBFBNSHS-MNOVXSKESA-N 0 0 320.397 0.595 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1nnc2n1CCCCC2 ZINC000407989122 160004826 /nfs/dbraw/zinc/00/48/26/160004826.db2.gz IBMHNZSOCBSKPK-NSHDSACASA-N 0 0 320.397 0.425 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC1 ZINC000407990999 160005058 /nfs/dbraw/zinc/00/50/58/160005058.db2.gz RZXHNRZAYKEWBN-NWDGAFQWSA-N 0 0 309.410 0.808 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)c2coc(C3CCCC3)n2)C1 ZINC000407993607 160005313 /nfs/dbraw/zinc/00/53/13/160005313.db2.gz ZIGPOKFLCMAXIS-SNVBAGLBSA-N 0 0 313.379 0.835 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1 ZINC000407991388 160005537 /nfs/dbraw/zinc/00/55/37/160005537.db2.gz UXRITFUFCFZLAO-LXTVHRRPSA-N 0 0 324.421 0.633 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000408000237 160006714 /nfs/dbraw/zinc/00/67/14/160006714.db2.gz YRLUGTGZQODIIM-UPJWGTAASA-N 0 0 307.350 0.398 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408012233 160010193 /nfs/dbraw/zinc/01/01/93/160010193.db2.gz DDCFNJNENSLGGW-GMSGAONNSA-N 0 0 301.368 0.566 10 0 DCAERN C[C@@H]1C[C@@H](N(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCN1C ZINC000408016543 160012322 /nfs/dbraw/zinc/01/23/22/160012322.db2.gz ICGHYTIJZVLPGU-FRRDWIJNSA-N 0 0 317.455 0.640 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000408022588 160013817 /nfs/dbraw/zinc/01/38/17/160013817.db2.gz URHYYYRJWLTKNE-MNOVXSKESA-N 0 0 313.423 0.425 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408022155 160014248 /nfs/dbraw/zinc/01/42/48/160014248.db2.gz RJRBNPPOHJLSJD-UONOGXRCSA-N 0 0 305.378 0.944 10 0 DCAERN CC(C)(C)CS(=O)(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000408026670 160015020 /nfs/dbraw/zinc/01/50/20/160015020.db2.gz GDFYCNAWUDOTJU-CYBMUJFWSA-N 0 0 316.427 0.481 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)C[C@H]1C(N)=O ZINC000408029088 160016058 /nfs/dbraw/zinc/01/60/58/160016058.db2.gz BEHHIZCESOAGKH-QMTHXVAHSA-N 0 0 308.403 0.917 10 0 DCAERN Cn1cnc2cc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)ccc21 ZINC000408032139 160016367 /nfs/dbraw/zinc/01/63/67/160016367.db2.gz RYYITJRAZGXCFE-UWVGGRQHSA-N 0 0 313.354 0.667 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)CC(C)(C)O1 ZINC000408030919 160016445 /nfs/dbraw/zinc/01/64/45/160016445.db2.gz JGYDXTPOBBNMQV-RYUDHWBXSA-N 0 0 316.423 0.560 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CCO1 ZINC000408030325 160016545 /nfs/dbraw/zinc/01/65/45/160016545.db2.gz FYGUFSVNOFYCFG-NWDGAFQWSA-N 0 0 312.366 0.034 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000408034195 160017325 /nfs/dbraw/zinc/01/73/25/160017325.db2.gz CQEJZFXANNTRLZ-ZIAGYGMSSA-N 0 0 311.426 0.328 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3cc(C)n(C)n3)CCN2C)n1 ZINC000408035019 160017782 /nfs/dbraw/zinc/01/77/82/160017782.db2.gz IYYSSTLCBMKSPD-GFCCVEGCSA-N 0 0 304.354 0.549 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408033645 160018003 /nfs/dbraw/zinc/01/80/03/160018003.db2.gz OWHWLQFVMCDXNL-OAHLLOKOSA-N 0 0 322.409 0.266 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2COCCN2C)CC1 ZINC000408036851 160018825 /nfs/dbraw/zinc/01/88/25/160018825.db2.gz WKAQQFLOWFKCRC-AWEZNQCLSA-N 0 0 311.426 0.424 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC000408037738 160019394 /nfs/dbraw/zinc/01/93/94/160019394.db2.gz DPVWBPAXLZZNPM-MGPQQGTHSA-N 0 0 311.426 0.517 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)C1 ZINC000408048779 160023023 /nfs/dbraw/zinc/02/30/23/160023023.db2.gz PTQLPJDZNVWPKO-HZSPNIEDSA-N 0 0 309.410 0.618 10 0 DCAERN CN(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc1 ZINC000408053511 160024270 /nfs/dbraw/zinc/02/42/70/160024270.db2.gz VJXRMDZSCKAFJF-OLZOCXBDSA-N 0 0 303.366 0.386 10 0 DCAERN CN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C(C)(C)C1 ZINC000408052926 160024358 /nfs/dbraw/zinc/02/43/58/160024358.db2.gz WKMMZVQJAVMGCG-UHFFFAOYSA-N 0 0 314.389 0.949 10 0 DCAERN CO[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC[C@@H]1C ZINC000408059079 160025906 /nfs/dbraw/zinc/02/59/06/160025906.db2.gz BOYJYTYIXMSXFF-NWDGAFQWSA-N 0 0 319.423 0.464 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408073255 160029666 /nfs/dbraw/zinc/02/96/66/160029666.db2.gz KECVILDOBXMASO-UPJWGTAASA-N 0 0 306.428 0.841 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC000408074573 160030021 /nfs/dbraw/zinc/03/00/21/160030021.db2.gz WWKAAQKCRNECBF-LLVKDONJSA-N 0 0 305.444 0.667 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000408074905 160030438 /nfs/dbraw/zinc/03/04/38/160030438.db2.gz XUCVWZNFQXLVHL-UHFFFAOYSA-N 0 0 315.395 0.129 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)c1ccc(=O)n(C)c1)C2 ZINC000408091118 160033559 /nfs/dbraw/zinc/03/35/59/160033559.db2.gz NUSKZZZTDXOECU-UHFFFAOYSA-N 0 0 301.350 0.756 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)o1 ZINC000408097258 160035046 /nfs/dbraw/zinc/03/50/46/160035046.db2.gz JGZIYJFFFSPCIY-UHFFFAOYSA-N 0 0 315.395 0.158 10 0 DCAERN CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408099445 160035891 /nfs/dbraw/zinc/03/58/91/160035891.db2.gz ZXDGFPUXVOKFBU-IJLUTSLNSA-N 0 0 316.423 0.232 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)o1 ZINC000408099967 160035897 /nfs/dbraw/zinc/03/58/97/160035897.db2.gz ZRRCKYRVSSQGEF-MNOVXSKESA-N 0 0 302.396 0.664 10 0 DCAERN CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408099450 160036010 /nfs/dbraw/zinc/03/60/10/160036010.db2.gz ZXDGFPUXVOKFBU-TUAOUCFPSA-N 0 0 316.423 0.232 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408106682 160037178 /nfs/dbraw/zinc/03/71/78/160037178.db2.gz YZQROXVUSSRDHX-ZDUSSCGKSA-N 0 0 305.444 0.106 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000408109005 160037211 /nfs/dbraw/zinc/03/72/11/160037211.db2.gz WUCAAXJZLWWWGI-LBPRGKRZSA-N 0 0 303.366 0.427 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N(C)C)n2)C1 ZINC000408108965 160037305 /nfs/dbraw/zinc/03/73/05/160037305.db2.gz VMTRSBMFWCGBEM-LLVKDONJSA-N 0 0 313.427 0.609 10 0 DCAERN C[C@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CC[S@@]1=O ZINC000408109772 160037773 /nfs/dbraw/zinc/03/77/73/160037773.db2.gz HRLNGHUSYIZDDY-YPMLDQLKSA-N 0 0 302.421 0.832 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C)C[C@@H]2C)C1 ZINC000408111731 160037801 /nfs/dbraw/zinc/03/78/01/160037801.db2.gz DLVQKXHSHIZYNZ-STQMWFEESA-N 0 0 317.455 0.211 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)NC2CCC(C(N)=O)CC2)CC1=O ZINC000408109503 160037901 /nfs/dbraw/zinc/03/79/01/160037901.db2.gz XAINIMZKGKNOAF-MOENNCHZSA-N 0 0 309.410 0.794 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408113432 160038660 /nfs/dbraw/zinc/03/86/60/160038660.db2.gz SHGYWUFPTRBVRM-RDBSUJKOSA-N 0 0 321.421 0.714 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](C)C1 ZINC000408118716 160040019 /nfs/dbraw/zinc/04/00/19/160040019.db2.gz WDQHVCKJMDPDDB-GHMZBOCLSA-N 0 0 309.370 0.690 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408117924 160040162 /nfs/dbraw/zinc/04/01/62/160040162.db2.gz JRFZLIFXEWALCY-TXEJJXNPSA-N 0 0 321.443 0.141 10 0 DCAERN C[C@H](C(=O)N1CCO[C@H](c2nccs2)C1)N1CCOCC1 ZINC000408128175 160042610 /nfs/dbraw/zinc/04/26/10/160042610.db2.gz IHECZGOPBNXACW-NEPJUHHUSA-N 0 0 311.407 0.764 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)C1 ZINC000408126989 160042794 /nfs/dbraw/zinc/04/27/94/160042794.db2.gz UHGIIYMNDIKTAN-CYBMUJFWSA-N 0 0 324.425 0.459 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCSC[C@H]1CCO ZINC000408125758 160043039 /nfs/dbraw/zinc/04/30/39/160043039.db2.gz FEHDFFDVFDMDHN-GHMZBOCLSA-N 0 0 318.464 0.624 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000408139331 160046237 /nfs/dbraw/zinc/04/62/37/160046237.db2.gz GHWJFTVLSSJIHI-UPJWGTAASA-N 0 0 300.424 0.917 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)CC1 ZINC000408143662 160046807 /nfs/dbraw/zinc/04/68/07/160046807.db2.gz XENQJFHLEVOIIE-CYBMUJFWSA-N 0 0 313.427 0.892 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000408142472 160046894 /nfs/dbraw/zinc/04/68/94/160046894.db2.gz XAEZFMQLTODQIT-GFCCVEGCSA-N 0 0 313.427 0.114 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000408149301 160048611 /nfs/dbraw/zinc/04/86/11/160048611.db2.gz KTJIABXAFYYPML-GHMZBOCLSA-N 0 0 314.382 0.916 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C2 ZINC000408156702 160049185 /nfs/dbraw/zinc/04/91/85/160049185.db2.gz AYTKVVWYRBSQOG-WDEREUQCSA-N 0 0 304.394 0.748 10 0 DCAERN Cc1cn2nc(N3CCC[C@@H]3CS(N)(=O)=O)sc2n1 ZINC000408155503 160049347 /nfs/dbraw/zinc/04/93/47/160049347.db2.gz RLCWDHKATNRPFA-MRVPVSSYSA-N 0 0 301.397 0.357 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000408153865 160049348 /nfs/dbraw/zinc/04/93/48/160049348.db2.gz GSVVKIRQGZBBPM-NSHDSACASA-N 0 0 303.428 0.564 10 0 DCAERN O=C(C1=CCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000408158003 160049887 /nfs/dbraw/zinc/04/98/87/160049887.db2.gz MHGWWDPHCACMPB-CYBMUJFWSA-N 0 0 314.407 0.360 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)on1 ZINC000408182117 160054589 /nfs/dbraw/zinc/05/45/89/160054589.db2.gz HSPMODOQSFQJQM-SECBINFHSA-N 0 0 301.368 0.562 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000408184249 160054869 /nfs/dbraw/zinc/05/48/69/160054869.db2.gz AKPMRWBZIMDVQI-RYUDHWBXSA-N 0 0 316.423 0.628 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cs1 ZINC000408186760 160054930 /nfs/dbraw/zinc/05/49/30/160054930.db2.gz JBOHKXKBUHEIAE-SFGNSQDASA-N 0 0 316.404 0.238 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000408186433 160055454 /nfs/dbraw/zinc/05/54/54/160055454.db2.gz HUNDFSOFHOKDEW-LBPRGKRZSA-N 0 0 304.412 0.153 10 0 DCAERN CCN(C1CCN(c2ccc(=O)n(C)n2)CC1)S(C)(=O)=O ZINC000408190362 160055819 /nfs/dbraw/zinc/05/58/19/160055819.db2.gz XKRYNWFEHOERHR-UHFFFAOYSA-N 0 0 314.411 0.031 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000408187997 160056254 /nfs/dbraw/zinc/05/62/54/160056254.db2.gz BQTKPQONKYXEST-QWRGUYRKSA-N 0 0 302.396 0.856 10 0 DCAERN O=C(CN1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187837 160056376 /nfs/dbraw/zinc/05/63/76/160056376.db2.gz ANYURIPEDHLGKL-NSHDSACASA-N 0 0 309.288 0.364 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408197060 160057287 /nfs/dbraw/zinc/05/72/87/160057287.db2.gz FXLZRJQPOKKCRC-UWVGGRQHSA-N 0 0 307.316 0.608 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H](C(=O)NC2CCS(=O)CC2)C1 ZINC000408200217 160057993 /nfs/dbraw/zinc/05/79/93/160057993.db2.gz ASTZTZUMIVTGJO-ISKNWUBFSA-N 0 0 301.408 0.993 10 0 DCAERN Cn1c(CN2CCC[C@@H](S(N)(=O)=O)C2)nnc1C1CCC1 ZINC000408199700 160058435 /nfs/dbraw/zinc/05/84/35/160058435.db2.gz VWVFMBQDDOYTCS-LLVKDONJSA-N 0 0 313.427 0.336 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000408202972 160059079 /nfs/dbraw/zinc/05/90/79/160059079.db2.gz OOSFFORDNNVXLH-UHFFFAOYSA-N 0 0 303.428 0.373 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)CC2 ZINC000408203324 160059278 /nfs/dbraw/zinc/05/92/78/160059278.db2.gz CTCKJJXGJBAHMS-RYUDHWBXSA-N 0 0 323.393 0.592 10 0 DCAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(=O)N1 ZINC000408205580 160060384 /nfs/dbraw/zinc/06/03/84/160060384.db2.gz QYWLTOYBFANULO-DTWKUNHWSA-N 0 0 303.318 0.985 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC000408210006 160060635 /nfs/dbraw/zinc/06/06/35/160060635.db2.gz XGXXMWZZVBOREY-LBPRGKRZSA-N 0 0 305.382 0.228 10 0 DCAERN C[C@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC[S@]1=O ZINC000408212797 160061510 /nfs/dbraw/zinc/06/15/10/160061510.db2.gz ZPDSAIYZOIILRG-WIUDPPPLSA-N 0 0 315.439 0.598 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218632 160062402 /nfs/dbraw/zinc/06/24/02/160062402.db2.gz JCVGOKPHVMALFQ-ZIAGYGMSSA-N 0 0 316.467 1.000 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408219875 160062864 /nfs/dbraw/zinc/06/28/64/160062864.db2.gz RAKVWZKHEBHBKP-MCIONIFRSA-N 0 0 316.467 0.857 10 0 DCAERN NC(=O)NC1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000408228793 160063842 /nfs/dbraw/zinc/06/38/42/160063842.db2.gz JNJPDJNKGSWAHO-NSHDSACASA-N 0 0 323.422 0.771 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCC(C)CC2)c(C)nn1C ZINC000408230985 160064786 /nfs/dbraw/zinc/06/47/86/160064786.db2.gz JWJGOLQGMPJHCF-UHFFFAOYSA-N 0 0 316.427 0.803 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000408232118 160064997 /nfs/dbraw/zinc/06/49/97/160064997.db2.gz LXYZCDKELYYWDS-UKRRQHHQSA-N 0 0 319.405 0.568 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@H](S(C)(=O)=O)C2)n1C ZINC000408233455 160065190 /nfs/dbraw/zinc/06/51/90/160065190.db2.gz UTJPNMUXOYDTQS-NSHDSACASA-N 0 0 300.428 0.948 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)[C@H](C)CO1 ZINC000408237664 160065891 /nfs/dbraw/zinc/06/58/91/160065891.db2.gz RGQLOCXRBNHCNH-GHMZBOCLSA-N 0 0 321.443 0.187 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408237266 160066536 /nfs/dbraw/zinc/06/65/36/160066536.db2.gz RXZSACNUSJLQJC-AGIUHOORSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)no1 ZINC000408241794 160067875 /nfs/dbraw/zinc/06/78/75/160067875.db2.gz MIOLIPCZQPWRHH-ZJUUUORDSA-N 0 0 301.368 0.573 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000408245585 160068320 /nfs/dbraw/zinc/06/83/20/160068320.db2.gz HAJZRYXPJPYNEY-BBRMVZONSA-N 0 0 307.394 0.374 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408245536 160068577 /nfs/dbraw/zinc/06/85/77/160068577.db2.gz GUUKSJLDVCJHEC-MRXNPFEDSA-N 0 0 301.346 0.528 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408247231 160069029 /nfs/dbraw/zinc/06/90/29/160069029.db2.gz MWYBWIRUTHLWSH-QWHCGFSZSA-N 0 0 306.428 0.148 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408252427 160070016 /nfs/dbraw/zinc/07/00/16/160070016.db2.gz QJZMNYQRMLEPRL-IUODEOHRSA-N 0 0 305.382 0.583 10 0 DCAERN CNC(=O)N[C@H]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257035 160070663 /nfs/dbraw/zinc/07/06/63/160070663.db2.gz NZSFUAYCAYHNQT-VHSXEESVSA-N 0 0 322.331 0.543 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCS1 ZINC000408263279 160071948 /nfs/dbraw/zinc/07/19/48/160071948.db2.gz UKXRSLYYTROTGO-ZYHUDNBSSA-N 0 0 321.468 0.605 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)N(C(C)=O)C1 ZINC000408272586 160073314 /nfs/dbraw/zinc/07/33/14/160073314.db2.gz GFDFYSFXJPYGNL-BYNSBNAKSA-N 0 0 312.410 0.942 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCO2)c1 ZINC000408288322 160077082 /nfs/dbraw/zinc/07/70/82/160077082.db2.gz WXIIIIKGPAEMFP-UHFFFAOYSA-N 0 0 320.392 0.440 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000408292939 160077756 /nfs/dbraw/zinc/07/77/56/160077756.db2.gz FFPSYZVQQGFQPI-STQMWFEESA-N 0 0 304.350 0.332 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000408293932 160078361 /nfs/dbraw/zinc/07/83/61/160078361.db2.gz JGBUNGBANNUTIC-VXGBXAGGSA-N 0 0 303.362 0.913 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000408305279 160080923 /nfs/dbraw/zinc/08/09/23/160080923.db2.gz ITJOWWQLRDUXOT-FZMZJTMJSA-N 0 0 300.424 0.618 10 0 DCAERN COCCCCS(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000408308034 160081315 /nfs/dbraw/zinc/08/13/15/160081315.db2.gz IIDCDUWKSDUIMC-GHMZBOCLSA-N 0 0 313.441 0.250 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC1 ZINC000408307555 160081671 /nfs/dbraw/zinc/08/16/71/160081671.db2.gz FCABDYNYWPPLHC-PRWKNARSSA-N 0 0 302.396 0.492 10 0 DCAERN CC1CCC(OCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000408314359 160082977 /nfs/dbraw/zinc/08/29/77/160082977.db2.gz TWHCWBBCHPPLJY-CPCZMJQVSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000408311551 160083346 /nfs/dbraw/zinc/08/33/46/160083346.db2.gz YENAIXTVRCUFQC-SNVBAGLBSA-N 0 0 302.396 0.081 10 0 DCAERN C[C@@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000408346344 160088842 /nfs/dbraw/zinc/08/88/42/160088842.db2.gz KGLBVLSOBLLRNH-GFCCVEGCSA-N 0 0 302.327 0.070 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](OC)C1 ZINC000408345076 160088960 /nfs/dbraw/zinc/08/89/60/160088960.db2.gz FGSSFZLAIWXDIV-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnn2)C[C@@]2(CCCOC2)O1 ZINC000408348934 160089687 /nfs/dbraw/zinc/08/96/87/160089687.db2.gz LMIBBPVQYSPDOO-DZGCQCFKSA-N 0 0 323.397 0.648 10 0 DCAERN CCNC(=O)N1CCN(C(=O)C2CN(CC(F)(F)F)C2)CC1 ZINC000408351386 160090175 /nfs/dbraw/zinc/09/01/75/160090175.db2.gz DLWSFQSDHMLSIA-UHFFFAOYSA-N 0 0 322.331 0.354 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H](c2nnc[nH]2)C1)N1CCCC1 ZINC000408352936 160090226 /nfs/dbraw/zinc/09/02/26/160090226.db2.gz WOCMSRIGSWLBFD-NSHDSACASA-N 0 0 306.370 0.316 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)sc1C ZINC000408366641 160093327 /nfs/dbraw/zinc/09/33/27/160093327.db2.gz MQOKHVXCRBJWIN-VIFPVBQESA-N 0 0 319.452 0.447 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2nn(C)c(=O)c3ccccc32)CC[C@H]1O ZINC000408378479 160095328 /nfs/dbraw/zinc/09/53/28/160095328.db2.gz VQIHNTQRMVHOAQ-IAQYHMDHSA-N 0 0 315.373 0.705 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408381744 160095833 /nfs/dbraw/zinc/09/58/33/160095833.db2.gz NOLAGDHNQWNMOF-WDEREUQCSA-N 0 0 309.366 0.344 10 0 DCAERN Cn1cnnc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000408381613 160096113 /nfs/dbraw/zinc/09/61/13/160096113.db2.gz MEYIJMWFKWBXPL-UHFFFAOYSA-N 0 0 320.353 0.351 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1nc(C)c(C)s1 ZINC000408407011 160102248 /nfs/dbraw/zinc/10/22/48/160102248.db2.gz WBZPJDFHBLABGR-VIFPVBQESA-N 0 0 303.409 0.659 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(C)C)CC(=O)N1 ZINC000408413127 160103434 /nfs/dbraw/zinc/10/34/34/160103434.db2.gz CFORINORAFKKCJ-XQQFMLRXSA-N 0 0 309.410 0.664 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCNC(=O)[C@H]2CC(C)C)CC(=O)N1 ZINC000408413128 160103558 /nfs/dbraw/zinc/10/35/58/160103558.db2.gz CFORINORAFKKCJ-YNEHKIRRSA-N 0 0 309.410 0.664 10 0 DCAERN CN1C[C@H](NC(=O)NCC2([S@](C)=O)CCC2)CCC1=O ZINC000408418014 160104199 /nfs/dbraw/zinc/10/41/99/160104199.db2.gz YJVBAMBCQNZLNE-SBKAZYGRSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CO1 ZINC000408421387 160104266 /nfs/dbraw/zinc/10/42/66/160104266.db2.gz JLPDSKDIBJTUNG-NOOOWODRSA-N 0 0 304.412 0.388 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000408424296 160104908 /nfs/dbraw/zinc/10/49/08/160104908.db2.gz UVGLQUHVEVVYIR-AXFHLTTASA-N 0 0 308.300 0.912 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cn(C)cn1 ZINC000408448669 160110000 /nfs/dbraw/zinc/11/00/00/160110000.db2.gz ZGYHEMZJLKQXBM-SNVBAGLBSA-N 0 0 324.410 0.948 10 0 DCAERN CNS(=O)(=O)NCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000408450279 160110624 /nfs/dbraw/zinc/11/06/24/160110624.db2.gz DPPWTOGXNCLYEU-UHFFFAOYSA-N 0 0 315.439 0.323 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000408454907 160111975 /nfs/dbraw/zinc/11/19/75/160111975.db2.gz WOPMUNCYFZRVLZ-GRYCIOLGSA-N 0 0 303.428 0.515 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@H](C)c2cccc(O)c21 ZINC000408456896 160112440 /nfs/dbraw/zinc/11/24/40/160112440.db2.gz MBCQFSDUZDAGJI-VIFPVBQESA-N 0 0 313.379 0.286 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](CF)C1 ZINC000408463707 160113805 /nfs/dbraw/zinc/11/38/05/160113805.db2.gz CLPAXHVPKCZVBX-VXGBXAGGSA-N 0 0 322.402 0.388 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](CF)C1 ZINC000408463691 160113885 /nfs/dbraw/zinc/11/38/85/160113885.db2.gz CLPAXHVPKCZVBX-NEPJUHHUSA-N 0 0 322.402 0.388 10 0 DCAERN COc1ccc(N2CCN(C(=O)[C@@]3(O)CCSC3)CC2)nc1 ZINC000408466615 160114359 /nfs/dbraw/zinc/11/43/59/160114359.db2.gz MMOSSXABCLEVGF-OAHLLOKOSA-N 0 0 323.418 0.607 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C[C@H]1C(N)=O ZINC000408473884 160116169 /nfs/dbraw/zinc/11/61/69/160116169.db2.gz PASXQBQCRUQMLC-BXKDBHETSA-N 0 0 317.324 0.600 10 0 DCAERN CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303022 286910200 /nfs/dbraw/zinc/91/02/00/286910200.db2.gz HBBPMQAACLUNRA-NSHDSACASA-N 0 0 301.364 0.451 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000091414381 286935942 /nfs/dbraw/zinc/93/59/42/286935942.db2.gz RPYHWRUMTZVXKM-UHFFFAOYSA-N 0 0 309.753 0.873 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1F ZINC000119440216 286947966 /nfs/dbraw/zinc/94/79/66/286947966.db2.gz ABZINKCFZKSZRU-JTQLQIEISA-N 0 0 305.309 0.862 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000122958747 286959180 /nfs/dbraw/zinc/95/91/80/286959180.db2.gz IUXKQOGAAZKHPU-NEPJUHHUSA-N 0 0 306.428 0.589 10 0 DCAERN COc1cccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1 ZINC000129599605 286989232 /nfs/dbraw/zinc/98/92/32/286989232.db2.gz XVCZLFUNPKPHHS-UHFFFAOYSA-N 0 0 303.362 0.940 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000130307178 286993192 /nfs/dbraw/zinc/99/31/92/286993192.db2.gz VMYRBLOCTIUJQL-UHFFFAOYSA-N 0 0 302.256 0.704 10 0 DCAERN CC(C)(C)c1ccc(OCC(=O)NCCOCC(N)=O)cc1 ZINC000131251533 286999401 /nfs/dbraw/zinc/99/94/01/286999401.db2.gz PTRGVOWLXDDNKF-UHFFFAOYSA-N 0 0 308.378 0.981 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@H](C)[C@@H](C)CO)n2)cc1 ZINC000131931416 287002981 /nfs/dbraw/zinc/00/29/81/287002981.db2.gz ZUFMCUQYMKQNLY-NWDGAFQWSA-N 0 0 303.366 0.782 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000132065050 287003528 /nfs/dbraw/zinc/00/35/28/287003528.db2.gz ISCIMSXOPXQVOU-AVGNSLFASA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H](NC(=O)CCNC(=O)c1[nH]nc2ccccc21)[C@H](C)CO ZINC000132359685 287005415 /nfs/dbraw/zinc/00/54/15/287005415.db2.gz UQBWLRASJXNONW-GHMZBOCLSA-N 0 0 318.377 0.816 10 0 DCAERN CC(C)C(=O)NCCN(C)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000132528441 287005759 /nfs/dbraw/zinc/00/57/59/287005759.db2.gz SQSGFYYYXXCQKS-UHFFFAOYSA-N 0 0 316.361 0.767 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000131705338 287001794 /nfs/dbraw/zinc/00/17/94/287001794.db2.gz LUXPOSDTAITKLE-UHFFFAOYSA-N 0 0 315.333 0.278 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000135059455 287019821 /nfs/dbraw/zinc/01/98/21/287019821.db2.gz CIFQJFQEYAZRIU-IHRRRGAJSA-N 0 0 309.410 0.795 10 0 DCAERN COC[C@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000150023596 287030466 /nfs/dbraw/zinc/03/04/66/287030466.db2.gz FSEKQRGIYJRHFA-SNVBAGLBSA-N 0 0 305.334 0.089 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000151643644 287034946 /nfs/dbraw/zinc/03/49/46/287034946.db2.gz RJBYZMQETPDTHO-LBPRGKRZSA-N 0 0 321.381 0.359 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCN1CCCCCC1=O ZINC000151646810 287035046 /nfs/dbraw/zinc/03/50/46/287035046.db2.gz IXTOSGPQBIHTBJ-UHFFFAOYSA-N 0 0 320.393 0.647 10 0 DCAERN CCc1nc(CNS(=O)(=O)C[C@H](C)C(=O)OC)cs1 ZINC000151985633 287037385 /nfs/dbraw/zinc/03/73/85/287037385.db2.gz SXZWWAPJPKJATL-QMMMGPOBSA-N 0 0 306.409 0.934 10 0 DCAERN C[C@]1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCCO1 ZINC000153017008 287045944 /nfs/dbraw/zinc/04/59/44/287045944.db2.gz CUNASBJYZFHHQC-CZUORRHYSA-N 0 0 305.378 0.951 10 0 DCAERN CC(C)(CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCOCC1 ZINC000177356841 287054580 /nfs/dbraw/zinc/05/45/80/287054580.db2.gz JESCLAWDEDSVEM-GFCCVEGCSA-N 0 0 322.413 0.523 10 0 DCAERN O=C1CCN(CCS(=O)(=O)c2ccc(F)cc2)CCN1 ZINC000192571344 287059140 /nfs/dbraw/zinc/05/91/40/287059140.db2.gz ABGURMYVRNXCHY-UHFFFAOYSA-N 0 0 300.355 0.421 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CNC(=O)C1 ZINC000194769195 287062374 /nfs/dbraw/zinc/06/23/74/287062374.db2.gz SPPMKUOTMKEVIP-GFCCVEGCSA-N 0 0 321.352 0.427 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245430589 287069311 /nfs/dbraw/zinc/06/93/11/287069311.db2.gz ZVIWECISXBUMDU-RYUDHWBXSA-N 0 0 303.428 0.551 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCC(C)CC1 ZINC000408354612 292511234 /nfs/dbraw/zinc/51/12/34/292511234.db2.gz LXOCRSTZRGNMMH-CYBMUJFWSA-N 0 0 306.428 0.700 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)[C@@H](C)CO1 ZINC000245566950 287070921 /nfs/dbraw/zinc/07/09/21/287070921.db2.gz FGPLXCQBDMUXBD-TUAOUCFPSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C[C@H](C)O1 ZINC000245702979 287072273 /nfs/dbraw/zinc/07/22/73/287072273.db2.gz RRPPFDRITQAUHA-WRWGMCAJSA-N 0 0 304.412 0.771 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)[C@@H](C)CO1 ZINC000246228287 287079669 /nfs/dbraw/zinc/07/96/69/287079669.db2.gz WPMZEXSFFXXCHW-TUAOUCFPSA-N 0 0 308.444 0.727 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000246173422 287078181 /nfs/dbraw/zinc/07/81/81/287078181.db2.gz FXQCFZJYWCVODF-GHMZBOCLSA-N 0 0 312.457 0.376 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000246436055 287083714 /nfs/dbraw/zinc/08/37/14/287083714.db2.gz UBXRNPGIIFTLJP-FOGDFJRCSA-N 0 0 310.316 0.621 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246478484 287084044 /nfs/dbraw/zinc/08/40/44/287084044.db2.gz WOLXLIMVRWAMDV-NXEZZACHSA-N 0 0 316.427 0.481 10 0 DCAERN Cc1cc(NC(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)n(C)n1 ZINC000246499324 287084490 /nfs/dbraw/zinc/08/44/90/287084490.db2.gz HKLJDXKINJJSGF-VXGBXAGGSA-N 0 0 305.382 0.410 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C1 ZINC000246717876 287087160 /nfs/dbraw/zinc/08/71/60/287087160.db2.gz LEKFOSHYSBPLGA-YDHLFZDLSA-N 0 0 311.426 0.158 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C1 ZINC000246580122 287085798 /nfs/dbraw/zinc/08/57/98/287085798.db2.gz ZGPQVCNSWOLAJS-IHRRRGAJSA-N 0 0 311.426 0.158 10 0 DCAERN C[C@H](O)C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000246593767 287085938 /nfs/dbraw/zinc/08/59/38/287085938.db2.gz GVKHBFUVVARSAA-WUHRBBMRSA-N 0 0 306.428 0.576 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247412284 287093692 /nfs/dbraw/zinc/09/36/92/287093692.db2.gz SVDFTWMYWUWMQE-QJPTWQEYSA-N 0 0 312.414 0.635 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246972533 287089698 /nfs/dbraw/zinc/08/96/98/287089698.db2.gz DXVCRVWVLRSRRC-STQMWFEESA-N 0 0 306.428 0.005 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000247051669 287090654 /nfs/dbraw/zinc/09/06/54/287090654.db2.gz VJLNNCMAFXXQBJ-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000247219237 287092049 /nfs/dbraw/zinc/09/20/49/287092049.db2.gz BRISZDHSKRFBLX-YVECIDJPSA-N 0 0 306.428 0.840 10 0 DCAERN COCCN1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@H]1C ZINC000248506714 287098043 /nfs/dbraw/zinc/09/80/43/287098043.db2.gz WYDPHBQCDLECJI-FKANQGBASA-N 0 0 305.444 0.116 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CCCCC(=O)N1 ZINC000248686832 287099959 /nfs/dbraw/zinc/09/99/59/287099959.db2.gz UXOVKVBFUOIJTJ-CHWSQXEVSA-N 0 0 317.393 0.620 10 0 DCAERN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CNC(=O)C1 ZINC000249295446 287108688 /nfs/dbraw/zinc/10/86/88/287108688.db2.gz BDSPSMJQNWZADK-SBMIAAHKSA-N 0 0 308.300 0.722 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCN(CCO)[C@@H](C)C2)c1 ZINC000249547553 287113383 /nfs/dbraw/zinc/11/33/83/287113383.db2.gz GQSWMYLGLFELOT-HNNXBMFYSA-N 0 0 305.422 0.610 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000249555325 287113890 /nfs/dbraw/zinc/11/38/90/287113890.db2.gz LUVZARLIEWUWRF-MDZLAQPJSA-N 0 0 318.377 0.837 10 0 DCAERN C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCN1CCO ZINC000249589469 287115276 /nfs/dbraw/zinc/11/52/76/287115276.db2.gz UZCCGOLGHKECNQ-MNOVXSKESA-N 0 0 309.332 0.148 10 0 DCAERN CCN(C(=O)N[C@H](C)[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000249514946 287112671 /nfs/dbraw/zinc/11/26/71/287112671.db2.gz BNLXKTFSIOZZPO-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN CNC(=O)[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249737554 287117779 /nfs/dbraw/zinc/11/77/79/287117779.db2.gz FZEFUBGLDLIFQF-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)NC/C=C\c1ccccc1 ZINC000255693823 287126293 /nfs/dbraw/zinc/12/62/93/287126293.db2.gz NMDZXEDUEGKOFM-YVMONPNESA-N 0 0 317.389 0.849 10 0 DCAERN C[C@@H](c1ccc(F)cc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246749876 287137272 /nfs/dbraw/zinc/13/72/72/287137272.db2.gz XIDQQMKFNNDEIS-ONGXEEELSA-N 0 0 309.316 0.668 10 0 DCAERN CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000246571236 287198488 /nfs/dbraw/zinc/19/84/88/287198488.db2.gz NZRZGVNSBNMQJP-BFHYXJOUSA-N 0 0 306.472 0.444 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404151854 287232320 /nfs/dbraw/zinc/23/23/20/287232320.db2.gz MNENQQCLWFXQKE-NWDGAFQWSA-N 0 0 300.355 0.577 10 0 DCAERN CCNC(=O)C1(CNS(=O)(=O)N2CCC[C@H](C)C2)CCC1 ZINC000408355349 287233896 /nfs/dbraw/zinc/23/38/96/287233896.db2.gz RQKPTYWBXCUNRO-LBPRGKRZSA-N 0 0 317.455 0.859 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)no1 ZINC000408061002 287233222 /nfs/dbraw/zinc/23/32/22/287233222.db2.gz VFRVVPRYRPWIHD-QWRGUYRKSA-N 0 0 309.322 0.006 10 0 DCAERN O=S(=O)(NCC[C@@H]1CNc2ccccc21)N1CCOCC1 ZINC000021501641 415155036 /nfs/dbraw/zinc/15/50/36/415155036.db2.gz PZUQOTCMBGPNPT-GFCCVEGCSA-N 0 0 311.407 0.752 10 0 DCAERN C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCCO1 ZINC000027905129 415172173 /nfs/dbraw/zinc/17/21/73/415172173.db2.gz SMHNJYYEXWCJOC-WCBMZHEXSA-N 0 0 318.420 0.622 10 0 DCAERN Cn1nccc1CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000030652060 415183397 /nfs/dbraw/zinc/18/33/97/415183397.db2.gz ZYPNRBKLUPYELS-STQMWFEESA-N 0 0 318.377 0.602 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000331689829 415187192 /nfs/dbraw/zinc/18/71/92/415187192.db2.gz WQJAHOCHRQETJR-GXSJLCMTSA-N 0 0 319.390 0.828 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)NCCC(=O)N1CCCCC1 ZINC000045104979 415244035 /nfs/dbraw/zinc/24/40/35/415244035.db2.gz HJRRMOZLCQCJSP-UHFFFAOYSA-N 0 0 312.414 0.603 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000046827121 415263279 /nfs/dbraw/zinc/26/32/79/415263279.db2.gz IFYNBRZETCWYQB-MNOVXSKESA-N 0 0 306.366 0.790 10 0 DCAERN C[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1F)N1CCOCC1 ZINC000047875164 415279873 /nfs/dbraw/zinc/27/98/73/415279873.db2.gz KEUMOCOPHHKPTM-SNVBAGLBSA-N 0 0 324.356 0.767 10 0 DCAERN O=C(CNC(=O)NC1CCN(c2ccccn2)CC1)NC1CC1 ZINC000048178705 415285935 /nfs/dbraw/zinc/28/59/35/415285935.db2.gz IKODBTLGQIGDAW-UHFFFAOYSA-N 0 0 317.393 0.628 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)NCc2cscn2)CC1 ZINC000051750993 415317688 /nfs/dbraw/zinc/31/76/88/415317688.db2.gz XILFAUOUZAKOAS-UHFFFAOYSA-N 0 0 311.411 0.106 10 0 DCAERN Cc1cc(C)nc(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1 ZINC000274230351 415338568 /nfs/dbraw/zinc/33/85/68/415338568.db2.gz XTOQMWBSSWEBKJ-HNNXBMFYSA-N 0 0 317.349 0.856 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000058144935 415340986 /nfs/dbraw/zinc/34/09/86/415340986.db2.gz SPXUODSRKJAQFI-ZDUSSCGKSA-N 0 0 320.393 0.154 10 0 DCAERN Cc1ccc(OCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)cc1 ZINC000067839559 415390648 /nfs/dbraw/zinc/39/06/48/415390648.db2.gz LRYPETYYKCDDEK-GFCCVEGCSA-N 0 0 314.407 0.770 10 0 DCAERN CNS(=O)(=O)CC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000083615097 415487078 /nfs/dbraw/zinc/48/70/78/415487078.db2.gz MKCMKBHMSHDLIC-QMMMGPOBSA-N 0 0 306.334 0.734 10 0 DCAERN CC(=O)NC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332828407 415488059 /nfs/dbraw/zinc/48/80/59/415488059.db2.gz MYMPQGVTSCDPSS-NRXISQOPSA-N 0 0 308.426 0.923 10 0 DCAERN CC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)OC ZINC000084278670 415496991 /nfs/dbraw/zinc/49/69/91/415496991.db2.gz CRFDFHILSWRVJA-GFCCVEGCSA-N 0 0 317.345 0.854 10 0 DCAERN CC[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)OC ZINC000084371107 415497805 /nfs/dbraw/zinc/49/78/05/415497805.db2.gz YTXAAFCDNPRATL-LLVKDONJSA-N 0 0 303.322 0.408 10 0 DCAERN CCOCCNC(=O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000084694611 415501064 /nfs/dbraw/zinc/50/10/64/415501064.db2.gz RINJRIYYCPEINT-OAHLLOKOSA-N 0 0 319.405 0.876 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCC(=O)NC3CCCC3)C[C@@H]21 ZINC000332760124 415464094 /nfs/dbraw/zinc/46/40/94/415464094.db2.gz YQCYFZGFWPBDMW-GJZGRUSLSA-N 0 0 323.437 0.757 10 0 DCAERN CCCn1nccc1NC(=O)NCCNS(=O)(=O)CC ZINC000078485962 415467935 /nfs/dbraw/zinc/46/79/35/415467935.db2.gz JICCJTNKGWLBGO-UHFFFAOYSA-N 0 0 303.388 0.354 10 0 DCAERN C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332768270 415470507 /nfs/dbraw/zinc/47/05/07/415470507.db2.gz CLMWQBPLKJKNPB-FQUUOJAGSA-N 0 0 308.382 0.930 10 0 DCAERN CCCC(=O)NCC(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990456 415525043 /nfs/dbraw/zinc/52/50/43/415525043.db2.gz KCFUIINGTMCDKF-UHFFFAOYSA-N 0 0 316.155 0.992 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000091414215 415537066 /nfs/dbraw/zinc/53/70/66/415537066.db2.gz GGDQXKFQCNLUBM-UHFFFAOYSA-N 0 0 315.333 0.096 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(N)=O)[nH]n2)cc1 ZINC000091783939 415537799 /nfs/dbraw/zinc/53/77/99/415537799.db2.gz OSVRKFLPCDIUSD-AWEZNQCLSA-N 0 0 314.345 0.711 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCNC1=O ZINC000333068837 415545876 /nfs/dbraw/zinc/54/58/76/415545876.db2.gz JRNSLMPLYHFNIH-OUAUKWLOSA-N 0 0 313.423 0.329 10 0 DCAERN CC[C@@H](CCO)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000094960371 415550144 /nfs/dbraw/zinc/55/01/44/415550144.db2.gz JGQZOPYDSXAEBH-NSHDSACASA-N 0 0 314.407 0.733 10 0 DCAERN CS(=O)(=O)CC1(CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333110093 415560308 /nfs/dbraw/zinc/56/03/08/415560308.db2.gz DVYJRUZUVNYMNA-GRYCIOLGSA-N 0 0 321.464 0.919 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(OCCO)CC1 ZINC000333159271 415571692 /nfs/dbraw/zinc/57/16/92/415571692.db2.gz LRIJQCKAQIAAHJ-DYEKYZERSA-N 0 0 303.424 0.978 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000343362039 415573828 /nfs/dbraw/zinc/57/38/28/415573828.db2.gz XTMRALDAQPEBPU-HOTGVXAUSA-N 0 0 315.373 0.878 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCn3cncc3C2)cn1 ZINC000333322553 415610014 /nfs/dbraw/zinc/61/00/14/415610014.db2.gz BFWIHFKGEVPSEN-KGLIPLIRSA-N 0 0 316.365 0.672 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000104359304 415623306 /nfs/dbraw/zinc/62/33/06/415623306.db2.gz PWJWPSCBGAWKDX-QWHCGFSZSA-N 0 0 307.394 0.372 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000104361782 415624158 /nfs/dbraw/zinc/62/41/58/415624158.db2.gz ATUNLMGVYHXVFF-OCCSQVGLSA-N 0 0 318.373 0.983 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)OCO3)CC(=O)N1C ZINC000282808658 415584131 /nfs/dbraw/zinc/58/41/31/415584131.db2.gz KRTBLEWJCJXJSA-SNVBAGLBSA-N 0 0 305.334 0.787 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000102751682 415599147 /nfs/dbraw/zinc/59/91/47/415599147.db2.gz IVDMXZHCHVYXBT-VXGBXAGGSA-N 0 0 318.439 0.704 10 0 DCAERN CC(C)[C@H](NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)C(N)=O ZINC000107185268 415660955 /nfs/dbraw/zinc/66/09/55/415660955.db2.gz DSUCDNSCHVBPFS-LRDDRELGSA-N 0 0 304.346 0.784 10 0 DCAERN CC(C)(CNC(=O)c1ccc2c(c1)CCN2)NS(C)(=O)=O ZINC000109040430 415683724 /nfs/dbraw/zinc/68/37/24/415683724.db2.gz BLPKTYPFGGJYJK-UHFFFAOYSA-N 0 0 311.407 0.712 10 0 DCAERN COCCN1CCN(CC(=O)NCc2cccnc2)C[C@@H]1C ZINC000111228019 415693831 /nfs/dbraw/zinc/69/38/31/415693831.db2.gz ISOVKGGMWZOXJQ-AWEZNQCLSA-N 0 0 306.410 0.350 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000333609809 415695608 /nfs/dbraw/zinc/69/56/08/415695608.db2.gz GLWVZLBEHBUNJU-QWHCGFSZSA-N 0 0 320.393 0.877 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(O)CCCC1)CC2 ZINC000114975693 415725039 /nfs/dbraw/zinc/72/50/39/415725039.db2.gz DPKFDNQBRJMGKM-LLVKDONJSA-N 0 0 307.398 0.760 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112196529 415707322 /nfs/dbraw/zinc/70/73/22/415707322.db2.gz QTORXFFHUOUBSB-MRVPVSSYSA-N 0 0 305.363 0.504 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@@H](OC)C[C@@H]2CO)c(F)c1 ZINC000343746791 415708028 /nfs/dbraw/zinc/70/80/28/415708028.db2.gz UJBJCWZIQYOSRQ-ZJUUUORDSA-N 0 0 318.370 0.320 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000343745022 415709771 /nfs/dbraw/zinc/70/97/71/415709771.db2.gz RPLMCAZRYGIREG-CHWSQXEVSA-N 0 0 320.393 0.735 10 0 DCAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112654111 415713361 /nfs/dbraw/zinc/71/33/61/415713361.db2.gz WORGWSOVZXYIBM-VXGBXAGGSA-N 0 0 321.381 0.578 10 0 DCAERN CC(C)(CNC(=O)C[C@H]1CCCCO1)N1CCS(=O)CC1 ZINC000333761989 415734733 /nfs/dbraw/zinc/73/47/33/415734733.db2.gz VYDANDWHKGRSDP-CYBMUJFWSA-N 0 0 316.467 0.905 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1C ZINC000119025525 415734966 /nfs/dbraw/zinc/73/49/66/415734966.db2.gz MMGJCGOPWRGBAO-LBPRGKRZSA-N 0 0 322.409 0.307 10 0 DCAERN Cn1nnc2c1C[C@@H](C(=O)NCc1cn3c(n1)CCCC3)CC2 ZINC000290186512 415774091 /nfs/dbraw/zinc/77/40/91/415774091.db2.gz UFXTXRLXXORCIO-NSHDSACASA-N 0 0 314.393 0.769 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCS1(=O)=O ZINC000122306739 415829360 /nfs/dbraw/zinc/82/93/60/415829360.db2.gz YGLAEHWHOTVDCQ-RISCZKNCSA-N 0 0 322.386 0.825 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121394949 415804775 /nfs/dbraw/zinc/80/47/75/415804775.db2.gz 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/nfs/dbraw/zinc/90/02/33/415900233.db2.gz LMFGFGMCLIWOSC-ZIAGYGMSSA-N 0 0 303.366 0.898 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000128763075 415901205 /nfs/dbraw/zinc/90/12/05/415901205.db2.gz YYMCFBKNNRHDBW-HUUCEWRRSA-N 0 0 324.402 0.593 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1C ZINC000130330959 415917027 /nfs/dbraw/zinc/91/70/27/415917027.db2.gz PNDSQVBIYWMIPV-AWEZNQCLSA-N 0 0 317.389 0.852 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3ccc(=O)[nH]c3)CCN2C)n1 ZINC000344445042 415918076 /nfs/dbraw/zinc/91/80/76/415918076.db2.gz IPPBNOPBVJGZLY-LLVKDONJSA-N 0 0 303.322 0.608 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)co1 ZINC000153109841 415974732 /nfs/dbraw/zinc/97/47/32/415974732.db2.gz DMSWLQZYXSWRGW-ONGXEEELSA-N 0 0 316.379 0.469 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158395988 415999572 /nfs/dbraw/zinc/99/95/72/415999572.db2.gz PKXYJCAWVGAQSX-HZSPNIEDSA-N 0 0 320.455 0.584 10 0 DCAERN 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GYOMFVNZVIUIAG-VXGBXAGGSA-N 0 0 316.427 0.343 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnn2C)ncn1 ZINC000173422290 416059067 /nfs/dbraw/zinc/05/90/67/416059067.db2.gz XLWSKAKHETVCSU-NSHDSACASA-N 0 0 315.381 0.651 10 0 DCAERN CC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173424288 416059338 /nfs/dbraw/zinc/05/93/38/416059338.db2.gz GNUJZAYTYYHTMP-VXGBXAGGSA-N 0 0 322.413 0.557 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000173524657 416059956 /nfs/dbraw/zinc/05/99/56/416059956.db2.gz KMFGOXMGZDOYPT-CYBMUJFWSA-N 0 0 321.402 0.420 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000173503064 416060270 /nfs/dbraw/zinc/06/02/70/416060270.db2.gz VTAXAKUDTBYXBI-GWCFXTLKSA-N 0 0 306.410 0.953 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173644929 416062379 /nfs/dbraw/zinc/06/23/79/416062379.db2.gz XFRNONAJPNEZKK-CQSZACIVSA-N 0 0 318.439 0.149 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)Cn1cccn1 ZINC000173788200 416066459 /nfs/dbraw/zinc/06/64/59/416066459.db2.gz DFGWBUUHHKIUCI-CABCVRRESA-N 0 0 321.425 0.635 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000173893346 416066965 /nfs/dbraw/zinc/06/69/65/416066965.db2.gz HXQKHKOATCZUMG-ZIAGYGMSSA-N 0 0 324.425 0.112 10 0 DCAERN CCCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174043237 416072844 /nfs/dbraw/zinc/07/28/44/416072844.db2.gz XWVPHAQRPOTCHR-LLVKDONJSA-N 0 0 314.411 0.553 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CC=C(c2cccs2)CC1 ZINC000161570087 416012786 /nfs/dbraw/zinc/01/27/86/416012786.db2.gz YBVYBLNZHGCTGR-JTQLQIEISA-N 0 0 305.359 0.962 10 0 DCAERN O=C(NCc1ccnc(OC(F)F)c1)C(=O)NCC(F)F ZINC000356973417 416015131 /nfs/dbraw/zinc/01/51/31/416015131.db2.gz CMKGEAOLXWCDCE-UHFFFAOYSA-N 0 0 309.219 0.681 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)NCC(F)(F)F ZINC000170650496 416027823 /nfs/dbraw/zinc/02/78/23/416027823.db2.gz YZPKIWYZEDSVLL-UHFFFAOYSA-N 0 0 303.288 0.277 10 0 DCAERN CNC(=O)CNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000170675046 416029378 /nfs/dbraw/zinc/02/93/78/416029378.db2.gz WPNKDXSKQGCIAH-LBPRGKRZSA-N 0 0 320.393 0.567 10 0 DCAERN C[C@H](C(=O)Nc1ncccn1)N1CCN(c2cccnn2)CC1 ZINC000170836572 416033643 /nfs/dbraw/zinc/03/36/43/416033643.db2.gz UQZXOCRGAHBCMY-GFCCVEGCSA-N 0 0 313.365 0.416 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC000301523416 416085124 /nfs/dbraw/zinc/08/51/24/416085124.db2.gz FBLCUOQVUXNOQI-RYUDHWBXSA-N 0 0 306.366 0.332 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCc2ncc[nH]2)[C@H]1c1cccnc1 ZINC000174755185 416086173 /nfs/dbraw/zinc/08/61/73/416086173.db2.gz MGOFCURQVXGZGN-IUODEOHRSA-N 0 0 313.361 0.683 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000357934423 416155368 /nfs/dbraw/zinc/15/53/68/416155368.db2.gz VTRKGKKZIVQMRW-GFCCVEGCSA-N 0 0 313.361 0.960 10 0 DCAERN Cc1nc(CNC(=O)Nc2ccc(C)c(-n3cnnn3)c2)no1 ZINC000174860965 416088167 /nfs/dbraw/zinc/08/81/67/416088167.db2.gz VLPUYWSQVHRPPU-UHFFFAOYSA-N 0 0 314.309 0.984 10 0 DCAERN 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319.365 0.189 10 0 DCAERN CC(C)(C)OC(=O)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175122540 416097981 /nfs/dbraw/zinc/09/79/81/416097981.db2.gz YXYFGYJFAHNODW-SNVBAGLBSA-N 0 0 309.370 0.624 10 0 DCAERN C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000312467198 416106351 /nfs/dbraw/zinc/10/63/51/416106351.db2.gz FGWVVISLRQYNPR-QMMMGPOBSA-N 0 0 303.359 0.670 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)s1 ZINC000313652509 416109329 /nfs/dbraw/zinc/10/93/29/416109329.db2.gz TVWXPHFBMVDUGU-LBPRGKRZSA-N 0 0 305.421 0.818 10 0 DCAERN O=S(=O)(c1ccc(F)cc1F)N1CCC[C@](O)(CO)C1 ZINC000313662492 416109331 /nfs/dbraw/zinc/10/93/31/416109331.db2.gz KTMPFFUDLYAFIY-GFCCVEGCSA-N 0 0 307.318 0.473 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCNC(=O)C2CCC2)[C@@H](C)C1 ZINC000357644037 416109781 /nfs/dbraw/zinc/10/97/81/416109781.db2.gz MDVDJLKMXRBNKI-LBPRGKRZSA-N 0 0 324.425 0.555 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCn2ncnc21 ZINC000175714999 416112280 /nfs/dbraw/zinc/11/22/80/416112280.db2.gz ZICIWYLMUKUQPN-ZDUSSCGKSA-N 0 0 313.361 0.968 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C(C)C)C1CCOCC1 ZINC000175893577 416116072 /nfs/dbraw/zinc/11/60/72/416116072.db2.gz SEFRYRTWHQYHIQ-UHFFFAOYSA-N 0 0 306.428 0.684 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000176175102 416120540 /nfs/dbraw/zinc/12/05/40/416120540.db2.gz YUOHIQINJMHIIE-JTQLQIEISA-N 0 0 324.768 0.620 10 0 DCAERN CCC(=O)N1CC[C@@H](Nc2nccc(N[C@@H]3CCCOC3)n2)C1 ZINC000328622261 416123649 /nfs/dbraw/zinc/12/36/49/416123649.db2.gz BAYSDVLPFNGAMN-CHWSQXEVSA-N 0 0 319.409 1.490 10 0 DCAERN O=C1c2ccc(F)cc2C(=O)N1C[C@H](O)CN1CCOCC1 ZINC000176381466 416125892 /nfs/dbraw/zinc/12/58/92/416125892.db2.gz SCJFEWSQUPCHSN-LLVKDONJSA-N 0 0 308.309 0.115 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CCCn4ccnc43)CCO2)[nH]1 ZINC000176473278 416126015 /nfs/dbraw/zinc/12/60/15/416126015.db2.gz HTGJDPPXBKIUFX-NEPJUHHUSA-N 0 0 316.365 0.787 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)CC2 ZINC000176710475 416132450 /nfs/dbraw/zinc/13/24/50/416132450.db2.gz RTXCSUQUUPTCHV-VIFPVBQESA-N 0 0 302.338 0.012 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1C ZINC000176755169 416133245 /nfs/dbraw/zinc/13/32/45/416133245.db2.gz ODHSKDMJSLKZOP-LLVKDONJSA-N 0 0 308.382 0.296 10 0 DCAERN C[C@@H](Nc1nnc(-c2ccon2)s1)C1(S(C)(=O)=O)CC1 ZINC000329213022 416156812 /nfs/dbraw/zinc/15/68/12/416156812.db2.gz ITQYPRWONSFSLM-SSDOTTSWSA-N 0 0 314.392 1.571 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000176860274 416135999 /nfs/dbraw/zinc/13/59/99/416135999.db2.gz IATPAOCHWMNVRL-QWHCGFSZSA-N 0 0 320.455 0.236 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@H](C)C1 ZINC000357839405 416139480 /nfs/dbraw/zinc/13/94/80/416139480.db2.gz YBTFMTUYBAHSHC-HBJVGIJOSA-N 0 0 322.409 0.258 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NCCc2cc(F)ccc2F)c1=O ZINC000177096460 416140050 /nfs/dbraw/zinc/14/00/50/416140050.db2.gz QDURHYHXRMVCBY-UHFFFAOYSA-N 0 0 323.299 0.184 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C)C1 ZINC000357939637 416157181 /nfs/dbraw/zinc/15/71/81/416157181.db2.gz QZLDNAYYYHGOKD-WCQYABFASA-N 0 0 309.410 0.713 10 0 DCAERN C[C@H](SC[C@H](O)CO)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177414834 416143859 /nfs/dbraw/zinc/14/38/59/416143859.db2.gz LRRBFFOSSOUKRI-DZGCQCFKSA-N 0 0 324.446 0.810 10 0 DCAERN COCc1ccc(C(=O)NCC2(CS(C)(=O)=O)CC2)o1 ZINC000177259837 416144456 /nfs/dbraw/zinc/14/44/56/416144456.db2.gz YZHRCXOJDMXACN-UHFFFAOYSA-N 0 0 301.364 0.981 10 0 DCAERN COCCOC[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357880783 416146631 /nfs/dbraw/zinc/14/66/31/416146631.db2.gz QPESYDKTYDJVON-NEPJUHHUSA-N 0 0 301.387 0.300 10 0 DCAERN CN1C[C@H](NC(=O)NCc2ccc3cc[nH]c3n2)CCC1=O ZINC000357988771 416168243 /nfs/dbraw/zinc/16/82/43/416168243.db2.gz MOUVJCOLSYWLDN-GFCCVEGCSA-N 0 0 301.350 0.983 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCNC(=O)c1cccs1)C(C)C ZINC000178700790 416169123 /nfs/dbraw/zinc/16/91/23/416169123.db2.gz CDERKAQOIROKNS-LBPRGKRZSA-N 0 0 311.407 0.755 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000178689105 416169647 /nfs/dbraw/zinc/16/96/47/416169647.db2.gz COBKMXTXFLSNBU-UONOGXRCSA-N 0 0 312.410 0.633 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCC[C@H]1Cn1ccnn1 ZINC000329469103 416171128 /nfs/dbraw/zinc/17/11/28/416171128.db2.gz XVKUTAJIXVAOOX-ZDUSSCGKSA-N 0 0 315.381 1.507 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC(C)(C)O ZINC000358046099 416176132 /nfs/dbraw/zinc/17/61/32/416176132.db2.gz IHBJNJAEISFTGD-UHFFFAOYSA-N 0 0 321.377 0.885 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178960598 416179350 /nfs/dbraw/zinc/17/93/50/416179350.db2.gz NMFMIBUDHIRRRS-AWEZNQCLSA-N 0 0 316.405 0.358 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)NCC1(O)CCCCCC1 ZINC000179140574 416182490 /nfs/dbraw/zinc/18/24/90/416182490.db2.gz OWDCPDPZMDAXPY-UHFFFAOYSA-N 0 0 308.382 0.869 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000179479202 416188041 /nfs/dbraw/zinc/18/80/41/416188041.db2.gz IAZOVVBRQLKYJI-LBPRGKRZSA-N 0 0 323.418 0.563 10 0 DCAERN COC[C@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)OC ZINC000358096200 416191544 /nfs/dbraw/zinc/19/15/44/416191544.db2.gz FEUMYKMDZDSPFK-GXSJLCMTSA-N 0 0 314.304 0.747 10 0 DCAERN COCCCOCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000180635598 416199707 /nfs/dbraw/zinc/19/97/07/416199707.db2.gz VOXIUPXWSNZFJS-OAHLLOKOSA-N 0 0 314.426 0.753 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358140437 416201182 /nfs/dbraw/zinc/20/11/82/416201182.db2.gz LGZJDGYDGFKXKA-BXKDBHETSA-N 0 0 301.350 0.887 10 0 DCAERN CC(=O)c1ccc(NCC(=O)N2CCNC(=O)C2)cc1Cl ZINC000181037473 416203040 /nfs/dbraw/zinc/20/30/40/416203040.db2.gz UXIZGHLUZYJASH-UHFFFAOYSA-N 0 0 309.753 0.913 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000181043279 416203248 /nfs/dbraw/zinc/20/32/48/416203248.db2.gz UKIWNPSQZFURPV-YPMHNXCESA-N 0 0 306.362 0.654 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181354819 416205936 /nfs/dbraw/zinc/20/59/36/416205936.db2.gz ZMUJFQITKXXWOW-UWVGGRQHSA-N 0 0 300.384 0.539 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CCOC[C@@H]2CCCO2)cn1 ZINC000181376253 416206590 /nfs/dbraw/zinc/20/65/90/416206590.db2.gz FGBHBGFVXOYFLS-LSDHHAIUSA-N 0 0 322.409 0.479 10 0 DCAERN CC(C)C(=O)NC1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000358202523 416211208 /nfs/dbraw/zinc/21/12/08/416211208.db2.gz WNFCBKKHBSXWED-UHFFFAOYSA-N 0 0 307.398 0.898 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000182013898 416213099 /nfs/dbraw/zinc/21/30/99/416213099.db2.gz FFOJXQJCRSOYHZ-SWLSCSKDSA-N 0 0 323.441 0.747 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)C2 ZINC000182208866 416216075 /nfs/dbraw/zinc/21/60/75/416216075.db2.gz ROKBXDWMEPXKGY-XHDPSFHLSA-N 0 0 300.362 0.940 10 0 DCAERN COCc1nc(CNc2cc(-n3cnnn3)ccc2F)no1 ZINC000182493635 416223934 /nfs/dbraw/zinc/22/39/34/416223934.db2.gz STLQHDRZTFINEV-UHFFFAOYSA-N 0 0 305.273 0.943 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000358341346 416224924 /nfs/dbraw/zinc/22/49/24/416224924.db2.gz BIQUEEYOSSQCES-UHFFFAOYSA-N 0 0 309.410 0.764 10 0 DCAERN CCc1cnccc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000182584116 416225857 /nfs/dbraw/zinc/22/58/57/416225857.db2.gz URJZVTYIVMJBFX-NSHDSACASA-N 0 0 311.407 0.655 10 0 DCAERN O=C(NCCCOCCO)c1cnn(CCC(F)(F)F)c1 ZINC000182590997 416226393 /nfs/dbraw/zinc/22/63/93/416226393.db2.gz CKJYBSYABVDDTL-UHFFFAOYSA-N 0 0 309.288 0.964 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000182832916 416232536 /nfs/dbraw/zinc/23/25/36/416232536.db2.gz HWYTVJFDRIRCGP-WBMJQRKESA-N 0 0 312.410 0.681 10 0 DCAERN COC[C@H](NC(=O)C(=O)NCCc1cccc(OC)n1)C1CC1 ZINC000357970445 416162923 /nfs/dbraw/zinc/16/29/23/416162923.db2.gz IRTPFRSURGQFQR-ZDUSSCGKSA-N 0 0 321.377 0.290 10 0 DCAERN COC(=O)c1coc(C(=O)NCCN2CCOC(C)(C)C2)c1 ZINC000183491568 416241255 /nfs/dbraw/zinc/24/12/55/416241255.db2.gz NUSIQJQDZXJRAT-UHFFFAOYSA-N 0 0 310.350 0.907 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000183544208 416245674 /nfs/dbraw/zinc/24/56/74/416245674.db2.gz QCJWAZMDAXJNJC-GHMZBOCLSA-N 0 0 310.350 0.905 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)c1cc(-c2cccnc2)on1 ZINC000358527019 416250552 /nfs/dbraw/zinc/25/05/52/416250552.db2.gz GBPZFHDUODOXDK-AWEZNQCLSA-N 0 0 305.290 0.390 10 0 DCAERN COCc1noc(CN2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000189612553 416268258 /nfs/dbraw/zinc/26/82/58/416268258.db2.gz NCYWJWFSZUIROH-SECBINFHSA-N 0 0 324.303 0.257 10 0 DCAERN Cc1cccn(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1=O ZINC000190015074 416273717 /nfs/dbraw/zinc/27/37/17/416273717.db2.gz ZURXEGLZLFLZDP-DZGCQCFKSA-N 0 0 316.361 0.537 10 0 DCAERN Cn1ccc(CC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000183049733 416235570 /nfs/dbraw/zinc/23/55/70/416235570.db2.gz LZKKRVMHVICHCP-AWEZNQCLSA-N 0 0 313.361 0.669 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000192890251 416311105 /nfs/dbraw/zinc/31/11/05/416311105.db2.gz CRYNUJSWRYBHFZ-UHFFFAOYSA-N 0 0 313.354 0.976 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)C(=O)c1c(C)nn(C)c1C ZINC000193305490 416315104 /nfs/dbraw/zinc/31/51/04/416315104.db2.gz RKMQRUXQIDILMN-UHFFFAOYSA-N 0 0 317.393 0.929 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190706035 416281984 /nfs/dbraw/zinc/28/19/84/416281984.db2.gz UWQBRUBLRILYJA-MRVPVSSYSA-N 0 0 316.345 0.973 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000358847850 416283463 /nfs/dbraw/zinc/28/34/63/416283463.db2.gz HKBWSHKVRUFRDH-XVIXHAIJSA-N 0 0 324.421 0.536 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(C)(C)O)CC1 ZINC000191802646 416289862 /nfs/dbraw/zinc/28/98/62/416289862.db2.gz ZRMWDMWKLUTLDR-LBPRGKRZSA-N 0 0 311.426 0.349 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)C1 ZINC000191835535 416290207 /nfs/dbraw/zinc/29/02/07/416290207.db2.gz VFFWHFKEJJEJLN-GFCCVEGCSA-N 0 0 317.393 0.797 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000192016408 416296475 /nfs/dbraw/zinc/29/64/75/416296475.db2.gz FRGTZHVVGWQEEC-WOPDTQHZSA-N 0 0 304.412 0.436 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cn1 ZINC000247195104 416332514 /nfs/dbraw/zinc/33/25/14/416332514.db2.gz ZRDDXBVVIAEWFC-RAIGVLPGSA-N 0 0 321.381 0.564 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)NC[C@@H](CO)C2CC2)c(=O)c1 ZINC000359779786 416358357 /nfs/dbraw/zinc/35/83/57/416358357.db2.gz ZBSJMWHEVKUMEN-BBRMVZONSA-N 0 0 308.378 0.042 10 0 DCAERN Cc1noc([C@@H]2C[C@H](O)CN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000359436515 416345632 /nfs/dbraw/zinc/34/56/32/416345632.db2.gz XLXXOGDYEXZFLA-ONGXEEELSA-N 0 0 304.306 0.323 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000359519188 416349172 /nfs/dbraw/zinc/34/91/72/416349172.db2.gz UWEUUTKKPJESEH-UKRRQHHQSA-N 0 0 322.405 0.955 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000359525783 416349377 /nfs/dbraw/zinc/34/93/77/416349377.db2.gz PWAGIVVFBRHXRB-GHMZBOCLSA-N 0 0 311.382 0.781 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000359522816 416349807 /nfs/dbraw/zinc/34/98/07/416349807.db2.gz FJQKMQHXCMPZOH-GHMZBOCLSA-N 0 0 311.382 0.781 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)CN1CCCC1=O ZINC000194312915 416322889 /nfs/dbraw/zinc/32/28/89/416322889.db2.gz PRMNSKBWAOCXMY-LLVKDONJSA-N 0 0 321.425 0.890 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000195318612 416326230 /nfs/dbraw/zinc/32/62/30/416326230.db2.gz BVAVJBSFKUWOSS-MCIONIFRSA-N 0 0 310.394 0.509 10 0 DCAERN C[C@@H](CN(C)CCN1C[C@@H](C)O[C@@H](C)C1)CS(C)(=O)=O ZINC000195318670 416326243 /nfs/dbraw/zinc/32/62/43/416326243.db2.gz XIHJVFWCPDOPIM-MELADBBJSA-N 0 0 306.472 0.708 10 0 DCAERN CCCN(CC(=O)OCC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000216451691 416327371 /nfs/dbraw/zinc/32/73/71/416327371.db2.gz GPRJKJCIIDQQPC-RYUDHWBXSA-N 0 0 322.427 0.616 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NC1(CCO)CCCC1 ZINC000241446978 416330107 /nfs/dbraw/zinc/33/01/07/416330107.db2.gz NQDYJQXOTUBLOL-UHFFFAOYSA-N 0 0 304.412 0.223 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)[C@H](C)COC)C1 ZINC000246738422 416332151 /nfs/dbraw/zinc/33/21/51/416332151.db2.gz QJVSFCKTFQQZSW-VXGBXAGGSA-N 0 0 316.427 0.842 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@H](CO)C1CC1)C2=O ZINC000359823396 416360741 /nfs/dbraw/zinc/36/07/41/416360741.db2.gz PBIOTYXBVWDSRB-GFCCVEGCSA-N 0 0 316.357 0.726 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](CO)C1CC1 ZINC000359822803 416360805 /nfs/dbraw/zinc/36/08/05/416360805.db2.gz NTXLBKJLDGWQNY-ZIAGYGMSSA-N 0 0 305.378 0.401 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@H](CO)C2CCOCC2)[nH]n1 ZINC000360247529 416382078 /nfs/dbraw/zinc/38/20/78/416382078.db2.gz ASXKKKNGMUANJD-IINYFYTJSA-N 0 0 310.398 0.736 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@@H](C)CCO)no1 ZINC000360437657 416389997 /nfs/dbraw/zinc/38/99/97/416389997.db2.gz NNUSAEKNSARQOD-UWVGGRQHSA-N 0 0 300.359 0.985 10 0 DCAERN CO[C@]1(CNC(=O)NC[C@H](CO)c2ccccc2)CCOC1 ZINC000360465707 416391958 /nfs/dbraw/zinc/39/19/58/416391958.db2.gz FAVNOFTXSWVIOV-ZBFHGGJFSA-N 0 0 308.378 0.867 10 0 DCAERN CC[C@@H](CNC(=O)N1CCC(CNS(C)(=O)=O)CC1)OC ZINC000360585040 416397985 /nfs/dbraw/zinc/39/79/85/416397985.db2.gz SQQFEODGXJEMCV-LBPRGKRZSA-N 0 0 321.443 0.382 10 0 DCAERN CN(C(=O)NCc1ccc2cc[nH]c2n1)[C@H]1CCN(C)C1=O ZINC000360700418 416404916 /nfs/dbraw/zinc/40/49/16/416404916.db2.gz MDZGORSMAVNIBQ-LBPRGKRZSA-N 0 0 301.350 0.935 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000532984255 416464564 /nfs/dbraw/zinc/46/45/64/416464564.db2.gz ANXQCEIQHPRXPO-QWRGUYRKSA-N 0 0 312.395 0.315 10 0 DCAERN Cc1ccc(CCNC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458424809 416465649 /nfs/dbraw/zinc/46/56/49/416465649.db2.gz VRDSTNSLJCZSAL-AWEZNQCLSA-N 0 0 303.366 0.489 10 0 DCAERN C[C@H]1C[C@H](O)CN(C(=O)NCc2ccccc2OCCO)C1 ZINC000458428152 416469623 /nfs/dbraw/zinc/46/96/23/416469623.db2.gz NNKZOQLCTMLNPJ-JSGCOSHPSA-N 0 0 308.378 0.970 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)C1CC1 ZINC000583615655 416479180 /nfs/dbraw/zinc/47/91/80/416479180.db2.gz YQQYOWDKZHMPKO-CHWSQXEVSA-N 0 0 307.398 0.833 10 0 DCAERN Cc1ccsc1CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458630425 416485267 /nfs/dbraw/zinc/48/52/67/416485267.db2.gz TWDPUEXHYIXPQY-LLVKDONJSA-N 0 0 309.395 0.551 10 0 DCAERN CC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000533346580 416485909 /nfs/dbraw/zinc/48/59/09/416485909.db2.gz QMTXZLNUXZILNU-NSHDSACASA-N 0 0 310.398 0.307 10 0 DCAERN CC(=O)NCCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434654121 416489060 /nfs/dbraw/zinc/48/90/60/416489060.db2.gz DAVMWNMGUGEVAS-UHFFFAOYSA-N 0 0 322.365 0.697 10 0 DCAERN NC(=O)[C@@H](NC(=O)c1cccc2ncnn21)c1ccc(F)cc1 ZINC000362066713 416553542 /nfs/dbraw/zinc/55/35/42/416553542.db2.gz KBUOCKLQWHMHIF-ZDUSSCGKSA-N 0 0 313.292 0.825 10 0 DCAERN CC(C)COCCCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000436294676 416555110 /nfs/dbraw/zinc/55/51/10/416555110.db2.gz GHABMUHWROTDKR-INIZCTEOSA-N 0 0 310.394 0.778 10 0 DCAERN COc1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 ZINC000436439909 416558971 /nfs/dbraw/zinc/55/89/71/416558971.db2.gz QINZGAVZZTWLNV-INIZCTEOSA-N 0 0 317.345 0.319 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598547891 416603481 /nfs/dbraw/zinc/60/34/81/416603481.db2.gz MZLODYWGMHJVKQ-UHFFFAOYSA-N 0 0 310.354 0.642 10 0 DCAERN O=C(c1cccc2ncnn21)N1CC[C@H](CN2CCOCC2)C1 ZINC000541083781 416604772 /nfs/dbraw/zinc/60/47/72/416604772.db2.gz ZAPYENNRRNNPCF-CYBMUJFWSA-N 0 0 315.377 0.524 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1O ZINC000436719042 416568584 /nfs/dbraw/zinc/56/85/84/416568584.db2.gz YPHAXKIJIORQRG-VHSXEESVSA-N 0 0 308.334 0.578 10 0 DCAERN CCOC(=O)c1coc(NCC2(S(=O)(=O)CC)CC2)n1 ZINC000596521650 416583522 /nfs/dbraw/zinc/58/35/22/416583522.db2.gz QZVDDFHQOAUPBL-UHFFFAOYSA-N 0 0 302.352 1.231 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)CS(=O)(=O)C(C)C)no1 ZINC000441723009 416679649 /nfs/dbraw/zinc/67/96/49/416679649.db2.gz FELIVQIGAFHRGN-UHFFFAOYSA-N 0 0 303.384 0.807 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1C[C@H](F)C[C@H]1CO ZINC000366675833 416635155 /nfs/dbraw/zinc/63/51/55/416635155.db2.gz CNLPNQXIODTEPL-KXNHARMFSA-N 0 0 312.341 0.093 10 0 DCAERN Cc1ccc(N2CCN(Cc3nnc4n3CCOC4)CC2=O)o1 ZINC000366671072 416635206 /nfs/dbraw/zinc/63/52/06/416635206.db2.gz UNAVAKPFJSZVIP-UHFFFAOYSA-N 0 0 317.349 0.559 10 0 DCAERN Cc1nccnc1N1CCN(CC(=O)N(C)CC2CC2)CC1 ZINC000440502672 416636911 /nfs/dbraw/zinc/63/69/11/416636911.db2.gz GUOUVVRLYZWASI-UHFFFAOYSA-N 0 0 303.410 0.775 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)[nH]c2=O)[C@@H](C)C1 ZINC000440585201 416641620 /nfs/dbraw/zinc/64/16/20/416641620.db2.gz YQGGGGXDINJTOS-JTQLQIEISA-N 0 0 320.349 0.113 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)COCCOC)(C(=O)OC)C1(C)C ZINC000440868467 416652784 /nfs/dbraw/zinc/65/27/84/416652784.db2.gz UOJWKFBHLRJSGH-IAQYHMDHSA-N 0 0 317.382 0.512 10 0 DCAERN C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544210303 416653024 /nfs/dbraw/zinc/65/30/24/416653024.db2.gz AORMIBDWMVFEAS-WDEREUQCSA-N 0 0 323.397 0.591 10 0 DCAERN O=C(Nc1cccc(F)c1F)C(=O)N1CC(n2ccnn2)C1 ZINC000441312931 416667630 /nfs/dbraw/zinc/66/76/30/416667630.db2.gz RCOJCRDQMUMRTA-UHFFFAOYSA-N 0 0 307.260 0.578 10 0 DCAERN CC(C)OC[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)CCO1 ZINC000545324094 416673067 /nfs/dbraw/zinc/67/30/67/416673067.db2.gz FZOCJQZVPQPYHM-XHSDSOJGSA-N 0 0 317.426 0.669 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCOCC2(CC2)C1 ZINC000514757561 416675550 /nfs/dbraw/zinc/67/55/50/416675550.db2.gz WGQBLPIQOWHREE-CYBMUJFWSA-N 0 0 322.405 0.843 10 0 DCAERN CC[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1ccncc1 ZINC000557623673 416743979 /nfs/dbraw/zinc/74/39/79/416743979.db2.gz CWJUEBQKLXIBQK-SNVBAGLBSA-N 0 0 301.354 0.796 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000443324547 416749753 /nfs/dbraw/zinc/74/97/53/416749753.db2.gz DFDXRQCNTSLMJW-UHFFFAOYSA-N 0 0 308.260 0.218 10 0 DCAERN CS(=O)(=O)CCCCNc1ncncc1Br ZINC000425263498 416687991 /nfs/dbraw/zinc/68/79/91/416687991.db2.gz LKBQJMDNQGFGFJ-UHFFFAOYSA-N 0 0 308.201 1.476 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000442122400 416688201 /nfs/dbraw/zinc/68/82/01/416688201.db2.gz XCEVPALSXRFCGL-PWSUYJOCSA-N 0 0 306.366 0.599 10 0 DCAERN CN(CC(N)=O)C(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000442410651 416692683 /nfs/dbraw/zinc/69/26/83/416692683.db2.gz NAGIEUGHCRSJJA-CYBMUJFWSA-N 0 0 313.361 0.542 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442390421 416693770 /nfs/dbraw/zinc/69/37/70/416693770.db2.gz LBSGJZUQRJCNKW-UHFFFAOYSA-N 0 0 319.321 0.687 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000368816429 416694613 /nfs/dbraw/zinc/69/46/13/416694613.db2.gz KAZTXDJRADQGGC-CQSZACIVSA-N 0 0 318.377 0.351 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN3CCOC[C@@H]3C2)cc1F ZINC000368826702 416695578 /nfs/dbraw/zinc/69/55/78/416695578.db2.gz SBDWSZAPTSSFSM-HNNXBMFYSA-N 0 0 321.396 0.767 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)Nc1ccc(Cl)cn1 ZINC000368826591 416696174 /nfs/dbraw/zinc/69/61/74/416696174.db2.gz RQXQZVZUAPZZKS-LBPRGKRZSA-N 0 0 310.785 0.690 10 0 DCAERN C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000442591562 416697622 /nfs/dbraw/zinc/69/76/22/416697622.db2.gz IQCFJZQDSRJRJT-LBPRGKRZSA-N 0 0 320.393 0.755 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000515550134 416704140 /nfs/dbraw/zinc/70/41/40/416704140.db2.gz SINIGJUDFXCKDM-SMDDNHRTSA-N 0 0 306.337 0.913 10 0 DCAERN CCN(C(=O)[C@@H](C)NC(=O)c1ccccc1)[C@@H]1CCNC1=O ZINC000443041746 416728151 /nfs/dbraw/zinc/72/81/51/416728151.db2.gz XYSJMJOJQJOOLJ-DGCLKSJQSA-N 0 0 303.362 0.542 10 0 DCAERN COC(=O)c1ccc(NC(=O)NCc2cn(C)nn2)c(OC)c1 ZINC000614938108 416728845 /nfs/dbraw/zinc/72/88/45/416728845.db2.gz RSEGBMPTERJAML-UHFFFAOYSA-N 0 0 319.321 0.932 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]n1 ZINC000557455485 416733501 /nfs/dbraw/zinc/73/35/01/416733501.db2.gz DKLOIQFRWCWULO-SYEHKZFSSA-N 0 0 322.409 0.838 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@@H](c3nccs3)C2)cn1 ZINC000558631400 416780889 /nfs/dbraw/zinc/78/08/89/416780889.db2.gz QZGNETGAPHHHKF-LLVKDONJSA-N 0 0 308.363 0.856 10 0 DCAERN Cc1cccnc1-c1nnc(N2CCN3CCOC[C@@H]3C2)n1C ZINC000558679821 416786147 /nfs/dbraw/zinc/78/61/47/416786147.db2.gz LRQXMHZMBAMXOV-ZDUSSCGKSA-N 0 0 314.393 0.706 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000427047184 416796382 /nfs/dbraw/zinc/79/63/82/416796382.db2.gz ZSHPKBLQGQEFCA-ABAIWWIYSA-N 0 0 306.362 0.891 10 0 DCAERN O=C(NCCn1cncn1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000558895736 416798867 /nfs/dbraw/zinc/79/88/67/416798867.db2.gz OOBSVQLJRFWRDE-STQMWFEESA-N 0 0 323.397 0.145 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NC(=O)NCCOCC1CCC1 ZINC000517451979 416804607 /nfs/dbraw/zinc/80/46/07/416804607.db2.gz CPSVSGDFEJVLSF-LLVKDONJSA-N 0 0 306.428 0.926 10 0 DCAERN CN1C(=O)CN(NC(=O)[C@H]2COc3ccc(Cl)cc32)C1=O ZINC000369738381 416825148 /nfs/dbraw/zinc/82/51/48/416825148.db2.gz XFOKTPXNFZRSTL-VIFPVBQESA-N 0 0 309.709 0.741 10 0 DCAERN CN(C(=O)Nc1ccc(N2CCC2=O)cc1)[C@@H]1CCNC1=O ZINC000559714090 416819940 /nfs/dbraw/zinc/81/99/40/416819940.db2.gz VFUSZQYCOSUZPP-GFCCVEGCSA-N 0 0 302.334 0.776 10 0 DCAERN CNc1nnc(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)s1 ZINC000562057411 416861220 /nfs/dbraw/zinc/86/12/20/416861220.db2.gz CVQCFFMSVSBVOX-ZETCQYMHSA-N 0 0 323.344 0.875 10 0 DCAERN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C2=COCCC2)C1=O ZINC000370039786 416870614 /nfs/dbraw/zinc/87/06/14/416870614.db2.gz ZYHUHRCRFSXVNX-ABAIWWIYSA-N 0 0 307.350 0.517 10 0 DCAERN O=C(NCc1ccoc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370055128 416877362 /nfs/dbraw/zinc/87/73/62/416877362.db2.gz HGLXZDGJVLWSPN-CYBMUJFWSA-N 0 0 307.350 0.859 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000519042699 416888032 /nfs/dbraw/zinc/88/80/32/416888032.db2.gz QVVDJMDTHVHSDG-AXFHLTTASA-N 0 0 307.416 0.085 10 0 DCAERN O=S(=O)(c1ccc2c(c1)COC2)N1C[C@@H](F)C[C@@H]1CO ZINC000444281678 416825621 /nfs/dbraw/zinc/82/56/21/416825621.db2.gz WHRZMJIVZJZCSB-NWDGAFQWSA-N 0 0 301.339 0.810 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278757 416825637 /nfs/dbraw/zinc/82/56/37/416825637.db2.gz UVJLBXLNFSMHPR-ZWNOBZJWSA-N 0 0 323.411 0.299 10 0 DCAERN CCO[C@H]1C[C@](NS(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289975 416830266 /nfs/dbraw/zinc/83/02/66/416830266.db2.gz TYMIXCIWIZMHOL-GWCFXTLKSA-N 0 0 322.427 0.519 10 0 DCAERN CC(C)n1cnc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000369855528 416838331 /nfs/dbraw/zinc/83/83/31/416838331.db2.gz HCIREYMRFNMLNH-CYBMUJFWSA-N 0 0 320.393 0.974 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC2(C)C)ccn1 ZINC000444506084 416845681 /nfs/dbraw/zinc/84/56/81/416845681.db2.gz MEPTYYIPBJVLAL-LLVKDONJSA-N 0 0 304.350 0.637 10 0 DCAERN Cn1nccc1[C@H](CO)NC(=O)c1csc(NC2CC2)n1 ZINC000560502356 416854581 /nfs/dbraw/zinc/85/45/81/416854581.db2.gz ZNPTUQPLZTUWST-VIFPVBQESA-N 0 0 307.379 0.914 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2ncccc21 ZINC000447127496 416965691 /nfs/dbraw/zinc/96/56/91/416965691.db2.gz DJBBBVXQKMANDH-VHSXEESVSA-N 0 0 317.349 0.893 10 0 DCAERN COC1(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)CCCC1 ZINC000519536613 416911664 /nfs/dbraw/zinc/91/16/64/416911664.db2.gz UJPKZQUBXQBEKD-UHFFFAOYSA-N 0 0 307.398 0.717 10 0 DCAERN Cn1cc([C@H](NC(=O)N[C@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000446308732 416919565 /nfs/dbraw/zinc/91/95/65/416919565.db2.gz ZBWYUJYUSPZRKM-WPRPVWTQSA-N 0 0 319.287 0.601 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000446545590 416932153 /nfs/dbraw/zinc/93/21/53/416932153.db2.gz CWUVKGUIIXHESL-NSHDSACASA-N 0 0 322.340 0.676 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000519739501 416933765 /nfs/dbraw/zinc/93/37/65/416933765.db2.gz RTIWMENBYOOTFJ-SNVBAGLBSA-N 0 0 302.338 0.225 10 0 DCAERN O=C(NC1CCN(c2cccnn2)CC1)c1cn2cccnc2n1 ZINC000521949511 417034490 /nfs/dbraw/zinc/03/44/90/417034490.db2.gz BAUQJKNEFXTYFC-UHFFFAOYSA-N 0 0 323.360 0.918 10 0 DCAERN C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2N)CCS1(=O)=O ZINC000388868949 417096564 /nfs/dbraw/zinc/09/65/64/417096564.db2.gz FDLFQBBIKGUIBM-PSASIEDQSA-N 0 0 304.393 0.123 10 0 DCAERN CC(=O)c1ccc(N[C@H]2C[C@H](C(N)=O)C2)c(S(N)(=O)=O)c1 ZINC000624541644 417058547 /nfs/dbraw/zinc/05/85/47/417058547.db2.gz UTIQUEANHWFALY-MGCOHNPYSA-N 0 0 311.363 0.212 10 0 DCAERN Nc1ccn([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)n1 ZINC000616604366 417082761 /nfs/dbraw/zinc/08/27/61/417082761.db2.gz WNHUZMGHCMJDLR-CYBMUJFWSA-N 0 0 308.363 0.685 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3cnccc32)C1 ZINC000616594868 417083989 /nfs/dbraw/zinc/08/39/89/417083989.db2.gz ROUQHONZCXMYRT-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN CCOC(=O)c1cccc([C@H]2CN(S(N)(=O)=O)CCO2)c1 ZINC000616645537 417086953 /nfs/dbraw/zinc/08/69/53/417086953.db2.gz JTXGMLPLELJPDO-GFCCVEGCSA-N 0 0 314.363 0.440 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616647395 417088127 /nfs/dbraw/zinc/08/81/27/417088127.db2.gz WIBPHAYQADKNFO-NSHDSACASA-N 0 0 305.377 0.078 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1nc[nH]n1 ZINC000616646957 417088138 /nfs/dbraw/zinc/08/81/38/417088138.db2.gz DBAFELLSJRDMGE-GFCCVEGCSA-N 0 0 308.363 0.957 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cncc3ccccc32)C1 ZINC000616661895 417090382 /nfs/dbraw/zinc/09/03/82/417090382.db2.gz BMJZFNKXECGIAE-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616661318 417091519 /nfs/dbraw/zinc/09/15/19/417091519.db2.gz ZXPZFXWJYIYDRY-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1cccc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)n1 ZINC000616690930 417094084 /nfs/dbraw/zinc/09/40/84/417094084.db2.gz VKLGXEOWZYBIOF-AWEZNQCLSA-N 0 0 304.375 0.815 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616666699 417094799 /nfs/dbraw/zinc/09/47/99/417094799.db2.gz RRSUTXQMHQDHCD-JTQLQIEISA-N 0 0 308.400 0.861 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCNC2=O)cc1F ZINC000295640697 225073593 /nfs/dbraw/zinc/07/35/93/225073593.db2.gz DHXAFIUBGCZHFO-JTQLQIEISA-N 0 0 304.318 0.830 10 0 DCAERN O=S1(=O)CCC(CN2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000407947539 417129039 /nfs/dbraw/zinc/12/90/39/417129039.db2.gz FYTFWRYGHXVYNP-JTQLQIEISA-N 0 0 301.330 0.810 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000408018222 417133743 /nfs/dbraw/zinc/13/37/43/417133743.db2.gz YYDUPJBXTYXHBP-SNVBAGLBSA-N 0 0 303.388 0.011 10 0 DCAERN CC(=O)N1CCCN(C(=O)C2CN(CC(F)(F)F)C2)CC1 ZINC000431629375 417137668 /nfs/dbraw/zinc/13/76/68/417137668.db2.gz WNBXFTLTTUSZLE-UHFFFAOYSA-N 0 0 307.316 0.561 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2n[nH]cc2Br)C1 ZINC000408069789 417138084 /nfs/dbraw/zinc/13/80/84/417138084.db2.gz DCUAVFHBGKPBPC-ZETCQYMHSA-N 0 0 301.144 0.979 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408154599 417142915 /nfs/dbraw/zinc/14/29/15/417142915.db2.gz LDLSIKNWWBUWDB-CYBMUJFWSA-N 0 0 307.460 0.208 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H]2CCCCN2C(C)=O)CC1 ZINC000408071601 417136315 /nfs/dbraw/zinc/13/63/15/417136315.db2.gz CLMZZLJZJBSAHH-HUUCEWRRSA-N 0 0 311.426 0.303 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000408429870 417160764 /nfs/dbraw/zinc/16/07/64/417160764.db2.gz ZYEKGDMUCYOUFQ-STQMWFEESA-N 0 0 324.425 0.553 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408203534 417145589 /nfs/dbraw/zinc/14/55/89/417145589.db2.gz DCXNAGCAJOJFTF-UWVGGRQHSA-N 0 0 317.411 0.983 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1(F)F ZINC000408230425 417148570 /nfs/dbraw/zinc/14/85/70/417148570.db2.gz GHUHIQMGBUXETB-VWYCJHECSA-N 0 0 322.377 0.219 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)Nc2nncs2)CCN1C ZINC000408332550 417156900 /nfs/dbraw/zinc/15/69/00/417156900.db2.gz UZRUIYNIPINBKN-VIFPVBQESA-N 0 0 307.383 0.792 10 0 DCAERN CCC[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000437790394 287364538 /nfs/dbraw/zinc/36/45/38/287364538.db2.gz ZOQIHTIMTQKDLL-LLVKDONJSA-N 0 0 315.395 0.877 10 0 DCAERN COC[C@@H](CCNC(=O)c1c(Br)cnn1C)OC ZINC000617243355 417187028 /nfs/dbraw/zinc/18/70/28/417187028.db2.gz TZZHZVKLRNDYDD-MRVPVSSYSA-N 0 0 320.187 0.964 10 0 DCAERN COC[C@@H](CCNC(=O)c1nn(C)cc1Br)OC ZINC000617241700 417187988 /nfs/dbraw/zinc/18/79/88/417187988.db2.gz LDPPDFZFTUWOSU-MRVPVSSYSA-N 0 0 320.187 0.964 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1cn3cccnc3n1)CCO2 ZINC000527186313 417219873 /nfs/dbraw/zinc/21/98/73/417219873.db2.gz DXNHKJMAMKRTGB-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN COc1ccc(C(=O)C[C@@H](C)C(=O)N[C@@H]2CNC(=O)C2)cc1 ZINC000450448898 417226929 /nfs/dbraw/zinc/22/69/29/417226929.db2.gz CLNMTOWROIHSDP-PWSUYJOCSA-N 0 0 304.346 0.909 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@H](C2CC2)O1 ZINC000525944193 417164505 /nfs/dbraw/zinc/16/45/05/417164505.db2.gz DJSMRINRXNLFHP-SUYBPPKGSA-N 0 0 320.389 0.625 10 0 DCAERN CO[C@H](Cc1ccccc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000450588733 417244006 /nfs/dbraw/zinc/24/40/06/417244006.db2.gz WEAHFDIHRCHENG-JKSUJKDBSA-N 0 0 304.390 0.787 10 0 DCAERN Cc1nc(Cn2cc(C(=O)NCCOCC3CCC3)nn2)no1 ZINC000569419739 417251732 /nfs/dbraw/zinc/25/17/32/417251732.db2.gz MKHYCEVZAQLLIJ-UHFFFAOYSA-N 0 0 320.353 0.564 10 0 DCAERN CCOC(=O)[C@H]1CN([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139238 417305591 /nfs/dbraw/zinc/30/55/91/417305591.db2.gz RWUYARDFJKVFFR-CMPLNLGQSA-N 0 0 321.381 0.581 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(CC)n1 ZINC000451251211 417326204 /nfs/dbraw/zinc/32/62/04/417326204.db2.gz YUILQMRTPORRBH-MNOVXSKESA-N 0 0 321.377 0.830 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]1C(F)F ZINC000633255114 417396976 /nfs/dbraw/zinc/39/69/76/417396976.db2.gz CHLHVAFRCFETSS-SECBINFHSA-N 0 0 319.352 0.662 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000633267499 417398754 /nfs/dbraw/zinc/39/87/54/417398754.db2.gz QFLHBWXPWPYKPU-APIJFGDWSA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC000633297558 417401705 /nfs/dbraw/zinc/40/17/05/417401705.db2.gz UQNQJODAJJKBJD-WCQYABFASA-N 0 0 319.365 0.208 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC000633295958 417403163 /nfs/dbraw/zinc/40/31/63/417403163.db2.gz YSVGSHKMTSVDRG-OLZOCXBDSA-N 0 0 314.407 0.033 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CCC1=O ZINC000529072068 417413514 /nfs/dbraw/zinc/41/35/14/417413514.db2.gz WHYFYOBZBRSJKX-QWRGUYRKSA-N 0 0 302.396 0.096 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1c1cn[nH]n1 ZINC000622169605 417413795 /nfs/dbraw/zinc/41/37/95/417413795.db2.gz SIZNOGROJQVDKW-WCQYABFASA-N 0 0 312.333 0.936 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000633439840 417431079 /nfs/dbraw/zinc/43/10/79/417431079.db2.gz LDZFLDLQBRZXBC-LBPRGKRZSA-N 0 0 316.423 0.328 10 0 DCAERN CCn1ccnc1CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000452571526 417490759 /nfs/dbraw/zinc/49/07/59/417490759.db2.gz COTHVBMQRIAEQU-UHFFFAOYSA-N 0 0 322.390 0.741 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccncc2C)CC12COC2 ZINC000452614032 417492818 /nfs/dbraw/zinc/49/28/18/417492818.db2.gz OVCRTNMPDMAIEU-CQSZACIVSA-N 0 0 318.373 0.971 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCn2cccn2)CC12COC2 ZINC000452221609 417459878 /nfs/dbraw/zinc/45/98/78/417459878.db2.gz JIPQTNWHJLPZFC-LBPRGKRZSA-N 0 0 307.350 0.311 10 0 DCAERN CCc1nnc(CNC(=O)[C@H](C)NC(=O)c2ccccc2)[nH]1 ZINC000452179966 417460090 /nfs/dbraw/zinc/46/00/90/417460090.db2.gz AAJZSNRYLGPUJT-JTQLQIEISA-N 0 0 301.350 0.802 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CC12COC2 ZINC000452269277 417463422 /nfs/dbraw/zinc/46/34/22/417463422.db2.gz XNOYAVSDMDYHBU-RYUDHWBXSA-N 0 0 324.377 0.083 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c[nH]c(C3CC3)n2)CC12COC2 ZINC000452269229 417463936 /nfs/dbraw/zinc/46/39/36/417463936.db2.gz XIIONQVJTYWZER-LLVKDONJSA-N 0 0 319.361 0.939 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c(O)cccc2O)CC12COC2 ZINC000452265510 417464112 /nfs/dbraw/zinc/46/41/12/417464112.db2.gz QQGJRIKQIOJZDT-JTQLQIEISA-N 0 0 321.329 0.750 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@H]2CCCn3nccc32)CC1 ZINC000633625448 417466654 /nfs/dbraw/zinc/46/66/54/417466654.db2.gz NSIGYOJMXPRRIQ-ZDUSSCGKSA-N 0 0 305.382 0.982 10 0 DCAERN CC[C@H](COCC(F)(F)F)NC(=O)CN1CCOCC1=O ZINC000452334291 417467005 /nfs/dbraw/zinc/46/70/05/417467005.db2.gz HKOZHMWZCMZAAF-SECBINFHSA-N 0 0 312.288 0.319 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN1CC(F)F ZINC000633677792 417476081 /nfs/dbraw/zinc/47/60/81/417476081.db2.gz QWVBTRUGTJJYAT-NEPJUHHUSA-N 0 0 303.353 0.843 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000633866861 417501160 /nfs/dbraw/zinc/50/11/60/417501160.db2.gz FEWUGAHWQSLSJN-VXGBXAGGSA-N 0 0 304.346 0.784 10 0 DCAERN CC1(C)CN(CCN2CCCS2(=O)=O)C[C@@]2(CCOC2)O1 ZINC000575181786 417520304 /nfs/dbraw/zinc/52/03/04/417520304.db2.gz WSBARSGMKKGNTP-CQSZACIVSA-N 0 0 318.439 0.292 10 0 DCAERN Cc1cc(C(=O)NCc2nnnn2C)c(C)n1[C@H]1CCOC1 ZINC000530269141 417561649 /nfs/dbraw/zinc/56/16/49/417561649.db2.gz SHNPATMAODNIRK-NSHDSACASA-N 0 0 304.354 0.520 10 0 DCAERN C[C@@H](Cc1cnn(C)c1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000455126650 417593532 /nfs/dbraw/zinc/59/35/32/417593532.db2.gz FARSZFMTTVOBHP-JTQLQIEISA-N 0 0 305.386 1.519 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCN(c3nccnn3)CC2)n(C)c1 ZINC000628377753 417612777 /nfs/dbraw/zinc/61/27/77/417612777.db2.gz IEAUKLKHVSEBJW-UHFFFAOYSA-N 0 0 314.349 0.375 10 0 DCAERN CCc1ncc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)cn1 ZINC000644399069 417564619 /nfs/dbraw/zinc/56/46/19/417564619.db2.gz SZCCZRDDKJCIEB-LLVKDONJSA-N 0 0 301.354 0.392 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000530340381 417568144 /nfs/dbraw/zinc/56/81/44/417568144.db2.gz OSCTVJCOWQTNLC-JGVFFNPUSA-N 0 0 304.343 0.626 10 0 DCAERN Cn1cnc(NC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000576732480 417633048 /nfs/dbraw/zinc/63/30/48/417633048.db2.gz ZXCMSOIXGJQXNE-HNNXBMFYSA-N 0 0 303.366 1.103 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000577002451 417652685 /nfs/dbraw/zinc/65/26/85/417652685.db2.gz HCBZPIJYTDPEBW-BONVTDFDSA-N 0 0 305.334 0.137 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000532063532 417655764 /nfs/dbraw/zinc/65/57/64/417655764.db2.gz HWQLFQNTSKWBCG-QWHCGFSZSA-N 0 0 300.366 0.983 10 0 DCAERN CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1nnnn1C ZINC000532072549 417658567 /nfs/dbraw/zinc/65/85/67/417658567.db2.gz HTIGTJBUMWKBBE-CHWSQXEVSA-N 0 0 306.414 0.823 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC000577162700 417667775 /nfs/dbraw/zinc/66/77/75/417667775.db2.gz MIAXZWQNIMFVMJ-DCAQKATOSA-N 0 0 324.381 0.096 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc2nnnn2c1 ZINC000532319782 417672364 /nfs/dbraw/zinc/67/23/64/417672364.db2.gz JVTHZBZOLLESQS-ZDUSSCGKSA-N 0 0 322.328 0.660 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cn1 ZINC000577381058 417678734 /nfs/dbraw/zinc/67/87/34/417678734.db2.gz PQCVBLREUZSPPS-NSHDSACASA-N 0 0 316.365 0.577 10 0 DCAERN C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458134308 417722735 /nfs/dbraw/zinc/72/27/35/417722735.db2.gz JAXHYCYEVUVTJX-CHWSQXEVSA-N 0 0 310.398 0.883 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458127909 417723060 /nfs/dbraw/zinc/72/30/60/417723060.db2.gz NKPJPVDITFSNFK-OLZOCXBDSA-N 0 0 304.350 0.531 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458133073 417723382 /nfs/dbraw/zinc/72/33/82/417723382.db2.gz PVSFGVSPWOWKGL-ZDUSSCGKSA-N 0 0 318.333 0.164 10 0 DCAERN Cc1cc(C)c(OCC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000458138201 417725013 /nfs/dbraw/zinc/72/50/13/417725013.db2.gz ZXDBBFDIBMNZSW-AWEZNQCLSA-N 0 0 318.377 0.759 10 0 DCAERN C[C@H](CCOc1ccccc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458151263 417725883 /nfs/dbraw/zinc/72/58/83/417725883.db2.gz WLBCKLMQBFLVBC-ZIAGYGMSSA-N 0 0 318.377 0.860 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926699 417731092 /nfs/dbraw/zinc/73/10/92/417731092.db2.gz XMRGGUFSDJTBBO-NSHDSACASA-N 0 0 314.183 0.905 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)C(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444564128 287427778 /nfs/dbraw/zinc/42/77/78/287427778.db2.gz XUCOEBJOPSIWKT-BONVTDFDSA-N 0 0 312.366 0.128 10 0 DCAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C(N)=O ZINC000227869886 545945887 /nfs/dbraw/zinc/94/58/87/545945887.db2.gz FTZROYMRVSYYCM-HZGVNTEJSA-N 0 0 321.160 0.723 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000249630609 287614181 /nfs/dbraw/zinc/61/41/81/287614181.db2.gz VCWJTKYEKOBCEO-JXFSHQFZSA-N 0 0 309.410 0.848 10 0 DCAERN O=S1(=O)CCN(CCCNc2nc(C3CC3)ns2)CC1 ZINC000301996189 230027216 /nfs/dbraw/zinc/02/72/16/230027216.db2.gz HPIHMEHEUHHRCD-UHFFFAOYSA-N 0 0 316.452 0.948 10 0 DCAERN COC(=O)[C@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)CC(C)C ZINC000179438850 261113342 /nfs/dbraw/zinc/11/33/42/261113342.db2.gz YBIYYTPDPVXRMA-NSHDSACASA-N 0 0 309.366 0.952 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)ccc1C ZINC000180640228 261113993 /nfs/dbraw/zinc/11/39/93/261113993.db2.gz DOGOCTQWFSPGRD-MRXNPFEDSA-N 0 0 306.362 0.764 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)NCCCc1ccccn1 ZINC000179757259 261113998 /nfs/dbraw/zinc/11/39/98/261113998.db2.gz XZQQTXCRAKUFMO-UHFFFAOYSA-N 0 0 324.344 0.586 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](CO)Cc1cccc(C)c1)C(C)C ZINC000188366732 261127079 /nfs/dbraw/zinc/12/70/79/261127079.db2.gz FJLPODYBIWFSAJ-HUUCEWRRSA-N 0 0 321.421 0.968 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC000188450289 261127550 /nfs/dbraw/zinc/12/75/50/261127550.db2.gz IQTNWZCPDPJURN-OCCSQVGLSA-N 0 0 311.426 0.862 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000188439796 261127618 /nfs/dbraw/zinc/12/76/18/261127618.db2.gz RQEDZGMDNOJWSN-SECBINFHSA-N 0 0 317.349 0.280 10 0 DCAERN CC[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1CC(F)F ZINC000188625436 261129392 /nfs/dbraw/zinc/12/93/92/261129392.db2.gz HQPTVJSVEKLGNA-LBPRGKRZSA-N 0 0 303.353 0.653 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000188747607 261130361 /nfs/dbraw/zinc/13/03/61/261130361.db2.gz ROKMNZSMSRUNES-UHFFFAOYSA-N 0 0 300.380 0.217 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000190184476 261134748 /nfs/dbraw/zinc/13/47/48/261134748.db2.gz PWGYUUASNRYSDH-UHFFFAOYSA-N 0 0 318.377 0.119 10 0 DCAERN COC(=O)[C@H]1CCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000192535216 261138801 /nfs/dbraw/zinc/13/88/01/261138801.db2.gz ZJGOCJDBVCYAAB-CYBMUJFWSA-N 0 0 315.329 0.561 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc32)CC1 ZINC000192988907 261139803 /nfs/dbraw/zinc/13/98/03/261139803.db2.gz XOKRAOYCZCLCEM-JTQLQIEISA-N 0 0 319.336 0.972 10 0 DCAERN Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CNC(=O)C3)cn2)n1 ZINC000194809218 261148250 /nfs/dbraw/zinc/14/82/50/261148250.db2.gz KIQMVKIUSUPENK-CYBMUJFWSA-N 0 0 313.361 0.636 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000194783454 261148737 /nfs/dbraw/zinc/14/87/37/261148737.db2.gz JCLIBVCAOWWXMZ-KCJUWKMLSA-N 0 0 300.318 0.178 10 0 DCAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194865902 261149510 /nfs/dbraw/zinc/14/95/10/261149510.db2.gz WTRLIWVQIYSHBF-LBPRGKRZSA-N 0 0 322.409 0.309 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCOC[C@@H]3C)CC2)ncn1 ZINC000194878270 261149696 /nfs/dbraw/zinc/14/96/96/261149696.db2.gz LAQJEQVKQUBLBQ-QWHCGFSZSA-N 0 0 320.393 0.806 10 0 DCAERN CCCCNC(=O)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000194870937 261149941 /nfs/dbraw/zinc/14/99/41/261149941.db2.gz ABRGLRUVHIIQAZ-AWEZNQCLSA-N 0 0 317.389 0.969 10 0 DCAERN COC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000228059677 261153354 /nfs/dbraw/zinc/15/33/54/261153354.db2.gz YQWAZTIKKUGCQI-QMMMGPOBSA-N 0 0 307.759 0.400 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H](CO)C1 ZINC000234558989 261154708 /nfs/dbraw/zinc/15/47/08/261154708.db2.gz VQYGEGBUWJGBEY-UTUOFQBUSA-N 0 0 305.396 0.362 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(OC)CC1 ZINC000234594263 261154840 /nfs/dbraw/zinc/15/48/40/261154840.db2.gz PRJZCEHLFBDZSZ-NEPJUHHUSA-N 0 0 305.396 0.769 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000317007490 261176734 /nfs/dbraw/zinc/17/67/34/261176734.db2.gz UKQMZWFCNJXMER-OLZOCXBDSA-N 0 0 308.378 0.657 10 0 DCAERN O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(O)c1 ZINC000357419117 261538552 /nfs/dbraw/zinc/53/85/52/261538552.db2.gz AMCMSIINCRFVBD-UHFFFAOYSA-N 0 0 321.358 0.496 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CCN(Cc2cscn2)CC1 ZINC000358195371 261646653 /nfs/dbraw/zinc/64/66/53/261646653.db2.gz LXEHZVUHGVIMAS-UHFFFAOYSA-N 0 0 320.422 0.936 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](COC)OC)C1 ZINC000358407822 261664568 /nfs/dbraw/zinc/66/45/68/261664568.db2.gz VUUXFCRSYUWWNB-RYUDHWBXSA-N 0 0 301.387 0.348 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(F)(F)[C@H](CO)C2)c1 ZINC000360269267 261817467 /nfs/dbraw/zinc/81/74/67/261817467.db2.gz UCQLJULSTXREDN-VIFPVBQESA-N 0 0 309.338 0.541 10 0 DCAERN C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(C)Cc2cnccn2)CCO1 ZINC000360912718 261887961 /nfs/dbraw/zinc/88/79/61/261887961.db2.gz DCGOMHIPCUGONE-OLZOCXBDSA-N 0 0 320.393 0.756 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000361095434 261896027 /nfs/dbraw/zinc/89/60/27/261896027.db2.gz AAXPNJIDEWSUBW-RFQIPJPRSA-N 0 0 312.410 0.992 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000361104647 261896807 /nfs/dbraw/zinc/89/68/07/261896807.db2.gz QYUISSBAXOLLCA-YRGRVCCFSA-N 0 0 314.407 0.362 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCNC(=O)C1CC1 ZINC000361677690 261950022 /nfs/dbraw/zinc/95/00/22/261950022.db2.gz IXZMAKVHDZMIHT-UHFFFAOYSA-N 0 0 321.381 0.124 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000361872717 261971988 /nfs/dbraw/zinc/97/19/88/261971988.db2.gz INYBKXMRACVOPN-WDEREUQCSA-N 0 0 324.381 0.090 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n1 ZINC000361953094 261983280 /nfs/dbraw/zinc/98/32/80/261983280.db2.gz RQRZOEPVEZLACY-VIFPVBQESA-N 0 0 315.420 0.716 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2nc(C)ccc2OC)CC1 ZINC000362108205 262000401 /nfs/dbraw/zinc/00/04/01/262000401.db2.gz BPEHDGBKVXYDLN-UHFFFAOYSA-N 0 0 322.365 0.721 10 0 DCAERN COCC1(C)CN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)C1 ZINC000362123534 262001575 /nfs/dbraw/zinc/00/15/75/262001575.db2.gz FWJUPNPWBJRDMZ-UHFFFAOYSA-N 0 0 308.382 0.977 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)cn1 ZINC000362126201 262001865 /nfs/dbraw/zinc/00/18/65/262001865.db2.gz RCKCDOZCMSVKSH-QWRGUYRKSA-N 0 0 306.366 0.768 10 0 DCAERN CN(CCCO)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000362218885 262011100 /nfs/dbraw/zinc/01/11/00/262011100.db2.gz VDQFMJQWOKTHSF-LLVKDONJSA-N 0 0 309.341 0.955 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000362240844 262014553 /nfs/dbraw/zinc/01/45/53/262014553.db2.gz UJRSQSQHGNOLEL-QWHCGFSZSA-N 0 0 319.409 0.843 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2ccc(OC)nn2)no1 ZINC000362313111 262021867 /nfs/dbraw/zinc/02/18/67/262021867.db2.gz KHAMRMRVLJXSJB-UHFFFAOYSA-N 0 0 320.305 0.925 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nnc2ccccn21 ZINC000362558556 262046090 /nfs/dbraw/zinc/04/60/90/262046090.db2.gz ICSDVJCGJXOSRG-OAHLLOKOSA-N 0 0 313.317 0.281 10 0 DCAERN COC[C@@](C)(NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)OC ZINC000362615255 262052998 /nfs/dbraw/zinc/05/29/98/262052998.db2.gz SBGSKUBWMKGWSU-MEDUHNTESA-N 0 0 322.361 0.499 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)nc2ncnn21 ZINC000362668512 262058149 /nfs/dbraw/zinc/05/81/49/262058149.db2.gz HWJZDBMEZARVMM-VHSXEESVSA-N 0 0 320.353 0.301 10 0 DCAERN COCC(C)(C)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000362695712 262062190 /nfs/dbraw/zinc/06/21/90/262062190.db2.gz VDJBFGBMDILLGD-LBPRGKRZSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000362860902 262082319 /nfs/dbraw/zinc/08/23/19/262082319.db2.gz WWGFKJZTIPMWPR-STQMWFEESA-N 0 0 322.413 0.414 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000362961047 262089374 /nfs/dbraw/zinc/08/93/74/262089374.db2.gz CNIHPVWYNNJEFZ-QWHCGFSZSA-N 0 0 305.382 0.516 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000363246590 262108741 /nfs/dbraw/zinc/10/87/41/262108741.db2.gz ZEQUBMDWLVUFOU-RYUDHWBXSA-N 0 0 311.407 0.177 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H]2CCCC[C@H]2O)C1=O ZINC000363553965 262120558 /nfs/dbraw/zinc/12/05/58/262120558.db2.gz ZJBSWFKRDVNFRU-NSODJVPESA-N 0 0 323.393 0.374 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000363791808 262130062 /nfs/dbraw/zinc/13/00/62/262130062.db2.gz DSEDUDWVYHVCSI-CQSZACIVSA-N 0 0 324.425 0.161 10 0 DCAERN O=Cc1ccc(OCCC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000363853220 262134179 /nfs/dbraw/zinc/13/41/79/262134179.db2.gz KCQRNONUMIZMFO-OAHLLOKOSA-N 0 0 318.373 0.811 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](CO)c2cnn(C)c2)cc1 ZINC000426987570 262559925 /nfs/dbraw/zinc/55/99/25/262559925.db2.gz UIUXHBUJGLBTNE-HNNXBMFYSA-N 0 0 316.361 0.866 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359601942 271129485 /nfs/dbraw/zinc/12/94/85/271129485.db2.gz UFNMLHYNQFYRRL-CYBMUJFWSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000359612397 271132039 /nfs/dbraw/zinc/13/20/39/271132039.db2.gz ROTUXHCSHZXPME-OAHLLOKOSA-N 0 0 317.389 0.859 10 0 DCAERN C[C@@H](CNC(=O)c1snnc1C(C)(C)C)S(N)(=O)=O ZINC000398359398 271217848 /nfs/dbraw/zinc/21/78/48/271217848.db2.gz FBEYILAFONQDET-LURJTMIESA-N 0 0 306.413 0.242 10 0 DCAERN CC(=O)[C@H](C)SCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000434834314 271544520 /nfs/dbraw/zinc/54/45/20/271544520.db2.gz POLCZSPRGICSGH-NSHDSACASA-N 0 0 302.396 0.014 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434825436 271545330 /nfs/dbraw/zinc/54/53/30/271545330.db2.gz IURGYCFLZUNUGS-YUMQZZPRSA-N 0 0 324.406 0.587 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000435176072 271555084 /nfs/dbraw/zinc/55/50/84/271555084.db2.gz FCNGZJGVELYROP-MWLCHTKSSA-N 0 0 309.370 0.698 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000443325916 271708010 /nfs/dbraw/zinc/70/80/10/271708010.db2.gz IPCKRGGEVXVOJB-UHFFFAOYSA-N 0 0 317.349 0.261 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCCn2cccn2)CC12COC2 ZINC000452269955 271913163 /nfs/dbraw/zinc/91/31/63/271913163.db2.gz YMDMWERLFJXEAA-CYBMUJFWSA-N 0 0 321.377 0.701 10 0 DCAERN CCO[C@H](CCNC(=O)NC[C@@H](O)Cn1ccnn1)C(C)C ZINC000458526507 271961769 /nfs/dbraw/zinc/96/17/69/271961769.db2.gz XOPUNLAQWDDETH-CHWSQXEVSA-N 0 0 313.402 0.389 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](SC)C2)C1 ZINC000458552220 271962170 /nfs/dbraw/zinc/96/21/70/271962170.db2.gz VGFFPCYWSTWZAQ-MNOVXSKESA-N 0 0 300.428 0.937 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000461267429 272026296 /nfs/dbraw/zinc/02/62/96/272026296.db2.gz CERXJMMSTGNLAI-KBXIAJHMSA-N 0 0 324.421 0.967 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000471672802 272029796 /nfs/dbraw/zinc/02/97/96/272029796.db2.gz YSEGRJYRYHFDTC-RYUDHWBXSA-N 0 0 322.427 0.015 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)n1 ZINC000487104261 272038177 /nfs/dbraw/zinc/03/81/77/272038177.db2.gz POYGCWLZZHECEN-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000487113327 272038257 /nfs/dbraw/zinc/03/82/57/272038257.db2.gz FUOIAYYQZZNPSU-IUCAKERBSA-N 0 0 322.365 0.473 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1nc(C)cc1C ZINC000487165895 272038615 /nfs/dbraw/zinc/03/86/15/272038615.db2.gz ZMWSKTAMSROCGO-RYUDHWBXSA-N 0 0 324.381 0.072 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncc1C ZINC000488579339 272047067 /nfs/dbraw/zinc/04/70/67/272047067.db2.gz IHOGYZKUDHHLGM-QWRGUYRKSA-N 0 0 322.365 0.390 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)CCCC(=O)OC)c1 ZINC000488603812 272047201 /nfs/dbraw/zinc/04/72/01/272047201.db2.gz CIYYZQHKPGPHDT-UHFFFAOYSA-N 0 0 314.363 0.877 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@H]1CCOC1 ZINC000489364252 272060633 /nfs/dbraw/zinc/06/06/33/272060633.db2.gz MEWAZRQPSCEFQV-GFCCVEGCSA-N 0 0 303.366 0.998 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H](O)C(F)F)c1 ZINC000489612353 272064510 /nfs/dbraw/zinc/06/45/10/272064510.db2.gz RNLTUQXYOWDROL-LLVKDONJSA-N 0 0 315.320 0.514 10 0 DCAERN COc1ncnc(OC)c1C(=O)NC[C@@H](CO)c1cccnc1 ZINC000490097632 272069698 /nfs/dbraw/zinc/06/96/98/272069698.db2.gz WOSZSXVPGWWOKZ-NSHDSACASA-N 0 0 318.333 0.395 10 0 DCAERN CCCCNC(=O)[C@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494415805 272221756 /nfs/dbraw/zinc/22/17/56/272221756.db2.gz RZGYBEDVNJNANV-ZDUSSCGKSA-N 0 0 313.442 0.860 10 0 DCAERN COC(=O)C1(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000516614709 272440029 /nfs/dbraw/zinc/44/00/29/272440029.db2.gz QFFQOVBONBWOQH-ZJUUUORDSA-N 0 0 309.322 0.620 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2cc(CC)no2)C1 ZINC000531860814 272771839 /nfs/dbraw/zinc/77/18/39/272771839.db2.gz DCHAVYSEQNVAJO-NSHDSACASA-N 0 0 309.370 0.840 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCSC[C@@H]2CCO)on1 ZINC000534316057 287811932 /nfs/dbraw/zinc/81/19/32/287811932.db2.gz ITOSWCDSVUWADZ-JTQLQIEISA-N 0 0 306.409 0.613 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000534963506 287822058 /nfs/dbraw/zinc/82/20/58/287822058.db2.gz CVQKZFCMDOHHRF-LBPRGKRZSA-N 0 0 319.365 0.711 10 0 DCAERN COc1ccc2c(c1)OC[C@H]2CC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000535713094 287837376 /nfs/dbraw/zinc/83/73/76/287837376.db2.gz FPABPNUETREJPV-MNOVXSKESA-N 0 0 319.361 0.831 10 0 DCAERN CC1(C)c2ccc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)cc2NC1=O ZINC000293943352 276165973 /nfs/dbraw/zinc/16/59/73/276165973.db2.gz OJTWKLQIFYGALQ-SKDRFNHKSA-N 0 0 319.336 0.954 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000156411427 276540520 /nfs/dbraw/zinc/54/05/20/276540520.db2.gz HNAIDQDNRCWIAM-OAHLLOKOSA-N 0 0 314.389 0.833 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000408054552 276984860 /nfs/dbraw/zinc/98/48/60/276984860.db2.gz SHJAKJJZLMOZRN-DZGCQCFKSA-N 0 0 314.451 0.960 10 0 DCAERN CN1C[C@H](NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CCC1=O ZINC000150734652 276986322 /nfs/dbraw/zinc/98/63/22/276986322.db2.gz UPRXOMVBBBKIJO-SJKOYZFVSA-N 0 0 316.357 0.895 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408257529 277005448 /nfs/dbraw/zinc/00/54/48/277005448.db2.gz QLSKRAKXEJPRSB-RFQIPJPRSA-N 0 0 310.442 0.883 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3COc4ccccc4C3)CC[C@@H]21 ZINC000286323394 277017160 /nfs/dbraw/zinc/01/71/60/277017160.db2.gz NZUPYFJIAOTUEI-MCIONIFRSA-N 0 0 315.373 0.862 10 0 DCAERN Cc1nc([C@@H]2CN(C(=O)NCC(=O)N3CCCC3)CCO2)no1 ZINC000541900437 287932135 /nfs/dbraw/zinc/93/21/35/287932135.db2.gz XOKWILFGHPYPKT-NSHDSACASA-N 0 0 323.353 0.083 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN([C@@H](C)C(=O)NC(N)=O)CC2 ZINC000378261363 277114203 /nfs/dbraw/zinc/11/42/03/277114203.db2.gz BJUZTOORWGVHEJ-JTQLQIEISA-N 0 0 303.362 0.873 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1=O ZINC000284680290 277157715 /nfs/dbraw/zinc/15/77/15/277157715.db2.gz WPPRBBCAKUVUFQ-ZJUUUORDSA-N 0 0 305.382 0.425 10 0 DCAERN CC(C)(C)N1C[C@@H](c2nc([C@@H]3CN4CCN3CC4)no2)CC1=O ZINC000329701283 277158583 /nfs/dbraw/zinc/15/85/83/277158583.db2.gz HHZTUJJDQYFQAS-RYUDHWBXSA-N 0 0 319.409 0.856 10 0 DCAERN COC1CCN(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000408284486 277193777 /nfs/dbraw/zinc/19/37/77/277193777.db2.gz ZWNPQQLVLBQLFL-UHFFFAOYSA-N 0 0 305.382 0.829 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000408103693 277270241 /nfs/dbraw/zinc/27/02/41/277270241.db2.gz IVMCYEVPJJTHLI-MNOVXSKESA-N 0 0 304.394 0.890 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)N1CCCCC1=O ZINC000188896978 277767690 /nfs/dbraw/zinc/76/76/90/277767690.db2.gz IJENHCOFCPYXGH-IUODEOHRSA-N 0 0 309.410 0.761 10 0 DCAERN CCOC(=O)CN(C(=O)Cn1nnnc1C(C)C)C1CCC1 ZINC000545218121 287989361 /nfs/dbraw/zinc/98/93/61/287989361.db2.gz OEBIJHDNYZKGEA-UHFFFAOYSA-N 0 0 309.370 0.741 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2nnnn2C)[C@]12CCCO2 ZINC000545356277 287997827 /nfs/dbraw/zinc/99/78/27/287997827.db2.gz SBLGIIBJNVIKJM-JTNHKYCSSA-N 0 0 324.385 0.078 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000329862140 278008310 /nfs/dbraw/zinc/00/83/10/278008310.db2.gz QVYBFWNIUHTHGW-KLZCAUPSSA-N 0 0 310.394 0.792 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000329311588 278068737 /nfs/dbraw/zinc/06/87/37/278068737.db2.gz CRIQSWVLDAOAEP-DSJMHWKBSA-N 0 0 308.378 0.138 10 0 DCAERN CC(C)c1noc(CCC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000157465550 278110969 /nfs/dbraw/zinc/11/09/69/278110969.db2.gz KQLCBCZGUVIBKW-ZJUUUORDSA-N 0 0 310.354 0.227 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000408088797 278128067 /nfs/dbraw/zinc/12/80/67/278128067.db2.gz KRHQKFQWIMOBBU-GWCFXTLKSA-N 0 0 308.382 0.461 10 0 DCAERN Cc1nnc2n1C[C@H](CNS(=O)(=O)N1CCC[C@H]1C)CC2 ZINC000546731950 288028714 /nfs/dbraw/zinc/02/87/14/288028714.db2.gz WWUAMUKANNNPCE-PWSUYJOCSA-N 0 0 313.427 0.468 10 0 DCAERN C[C@]1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCO[C@@H]1C1CC1 ZINC000546657061 288023930 /nfs/dbraw/zinc/02/39/30/288023930.db2.gz FWCVLDMTUUPZSN-ZMSDIMECSA-N 0 0 323.437 0.918 10 0 DCAERN CN(C)c1noc(-c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)n1 ZINC000547300475 288036743 /nfs/dbraw/zinc/03/67/43/288036743.db2.gz JBIPXHTWJPDENR-UHFFFAOYSA-N 0 0 314.305 0.948 10 0 DCAERN CC1(C)CN(c2cncc(C(N)=O)n2)C[C@]2(CCCOC2)O1 ZINC000408337165 278344559 /nfs/dbraw/zinc/34/45/59/278344559.db2.gz FAHQDOCETVREID-HNNXBMFYSA-N 0 0 306.366 0.740 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000126496148 278683242 /nfs/dbraw/zinc/68/32/42/278683242.db2.gz QJFIZRWVZGRKBT-NWDGAFQWSA-N 0 0 318.439 0.573 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000408016471 278833265 /nfs/dbraw/zinc/83/32/65/278833265.db2.gz KODLXONVTCAQST-YPMHNXCESA-N 0 0 303.428 0.466 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nc2nccc(C)n2n1 ZINC000081586818 279136934 /nfs/dbraw/zinc/13/69/34/279136934.db2.gz MBJWQKOKIGVJTJ-SNVBAGLBSA-N 0 0 312.337 0.598 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3)CC2 ZINC000188424845 279143504 /nfs/dbraw/zinc/14/35/04/279143504.db2.gz UFJIRYGALQRHLO-GFCCVEGCSA-N 0 0 311.345 0.826 10 0 DCAERN CCOC(=O)c1ccc(NC(=O)CN2CCOCC2=O)cn1 ZINC000548065392 288108624 /nfs/dbraw/zinc/10/86/24/288108624.db2.gz INRJQIYCXAEDED-UHFFFAOYSA-N 0 0 307.306 0.056 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cn12 ZINC000284320296 279235026 /nfs/dbraw/zinc/23/50/26/279235026.db2.gz BCSVDKMYWVDIGY-ZIAGYGMSSA-N 0 0 315.377 0.583 10 0 DCAERN COC(=O)c1ccc(N2CCN(C3CC3)C(=O)C2)nc1OC ZINC000548154616 288116851 /nfs/dbraw/zinc/11/68/51/288116851.db2.gz WADMEIYRSYZMDC-UHFFFAOYSA-N 0 0 305.334 0.688 10 0 DCAERN Cn1c([C@H]2NC(=O)[C@H]3CCCCN32)nc2c1c(=O)[nH]c(=O)n2C ZINC000329575561 279314814 /nfs/dbraw/zinc/31/48/14/279314814.db2.gz BCAYCVSTSUPMHB-HQJQHLMTSA-N 0 0 318.337 0.196 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000246819447 279580050 /nfs/dbraw/zinc/58/00/50/279580050.db2.gz RHZYSBPOWSXWBD-GOEBONIOSA-N 0 0 317.389 0.440 10 0 DCAERN O=S(=O)(NC1CC1)N1CCN(c2ccc(F)cn2)CC1 ZINC000548451559 288144456 /nfs/dbraw/zinc/14/44/56/288144456.db2.gz UYPBAOMTJMNQTP-UHFFFAOYSA-N 0 0 300.359 0.340 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173625331 279587189 /nfs/dbraw/zinc/58/71/89/279587189.db2.gz GZQLLXAWINXNMK-GHMZBOCLSA-N 0 0 322.413 0.888 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000548636578 288161710 /nfs/dbraw/zinc/16/17/10/288161710.db2.gz UCOKRRYZFAGAML-HOTGVXAUSA-N 0 0 314.385 0.943 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cc(C)on2)CC1 ZINC000548653467 288163607 /nfs/dbraw/zinc/16/36/07/288163607.db2.gz QLXWOPNZEPXSAN-UHFFFAOYSA-N 0 0 324.381 0.762 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000548719654 288170625 /nfs/dbraw/zinc/17/06/25/288170625.db2.gz DENMTOVKOGUUDP-KEYYUXOJSA-N 0 0 320.389 0.484 10 0 DCAERN C[C@H]1CN(C(C)(C)CNC(=O)COc2cnn(C)c2)C[C@H](C)O1 ZINC000548847573 288182018 /nfs/dbraw/zinc/18/20/18/288182018.db2.gz XDYMUBKKFOCIKJ-STQMWFEESA-N 0 0 324.425 0.803 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N1CC[C@@H](N2CCOCC2)C1 ZINC000251860153 279933430 /nfs/dbraw/zinc/93/34/30/279933430.db2.gz ODOAOZRABYXHPR-BARDWOONSA-N 0 0 309.410 0.670 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)cn1 ZINC000548863554 288182618 /nfs/dbraw/zinc/18/26/18/288182618.db2.gz WZXVLCBZMYUFJW-CHWSQXEVSA-N 0 0 307.350 0.396 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cn1 ZINC000548863556 288182735 /nfs/dbraw/zinc/18/27/35/288182735.db2.gz WZXVLCBZMYUFJW-QWHCGFSZSA-N 0 0 307.350 0.396 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCN[C@@H](c2ccncc2)C1 ZINC000548887151 288184902 /nfs/dbraw/zinc/18/49/02/288184902.db2.gz VWPABDQWCUVFKM-CYBMUJFWSA-N 0 0 308.345 0.911 10 0 DCAERN Cn1cc(OCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cn1 ZINC000549523657 288199545 /nfs/dbraw/zinc/19/95/45/288199545.db2.gz DIULGVLKQUPMDS-SWLSCSKDSA-N 0 0 323.393 0.483 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1[C@@H]1COc2ccc(F)cc2C1 ZINC000288689058 280298442 /nfs/dbraw/zinc/29/84/42/280298442.db2.gz JSFBARLTNBCLOE-XHDPSFHLSA-N 0 0 306.293 0.840 10 0 DCAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000265596639 280364400 /nfs/dbraw/zinc/36/44/00/280364400.db2.gz BODBGJGXRYTGGO-APPZFPTMSA-N 0 0 302.334 0.079 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1F ZINC000120483197 280594009 /nfs/dbraw/zinc/59/40/09/280594009.db2.gz OVTLQBFPTVUFEQ-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)c1 ZINC000120505870 280890040 /nfs/dbraw/zinc/89/00/40/280890040.db2.gz NSYCEYVIMDTEDI-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@]3(CCCOC3)C2)C1 ZINC000553020357 288284752 /nfs/dbraw/zinc/28/47/52/288284752.db2.gz VRSSHPWNUDGIOF-JKSUJKDBSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1ccc2ncc(C(=O)N[C@@H]3CCc4ncnn4C3)c(=O)n2c1 ZINC000112651727 281166890 /nfs/dbraw/zinc/16/68/90/281166890.db2.gz MBGKAZXSXOIFSM-LLVKDONJSA-N 0 0 324.344 0.339 10 0 DCAERN CS(=O)(=O)NCC1CCN(c2ccc3nccnc3n2)CC1 ZINC000553604503 288303853 /nfs/dbraw/zinc/30/38/53/288303853.db2.gz QBFDIVUIQTUCFW-UHFFFAOYSA-N 0 0 321.406 0.790 10 0 DCAERN CC(C)N(Cc1ccccn1)C(=O)C(=O)NCc1ccn(C)n1 ZINC000553879989 288309566 /nfs/dbraw/zinc/30/95/66/288309566.db2.gz AJCJSNNCRZTPFD-UHFFFAOYSA-N 0 0 315.377 0.869 10 0 DCAERN CCc1c(Cl)nc(S(C)(=O)=O)nc1N1CCN(C)CC1 ZINC000091366073 281369819 /nfs/dbraw/zinc/36/98/19/281369819.db2.gz RFMPKLSYCUWQQS-UHFFFAOYSA-N 0 0 318.830 0.848 10 0 DCAERN CCc1nc(C(C)(C)NCCC(=O)N2CCN(C)CC2)no1 ZINC000554849568 288339369 /nfs/dbraw/zinc/33/93/69/288339369.db2.gz ZTHQBUZYTYNGAQ-UHFFFAOYSA-N 0 0 309.414 0.621 10 0 DCAERN C[C@@H]1COCCN1c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000152136637 288349715 /nfs/dbraw/zinc/34/97/15/288349715.db2.gz QJRCDEDTSYJLRT-VXGBXAGGSA-N 0 0 303.362 0.986 10 0 DCAERN CN1C(=O)CN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1=O ZINC000555557089 288355497 /nfs/dbraw/zinc/35/54/97/288355497.db2.gz PDBYMQMTYDGSAU-UHFFFAOYSA-N 0 0 304.350 0.898 10 0 DCAERN COc1ncc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833401 288363503 /nfs/dbraw/zinc/36/35/03/288363503.db2.gz DAHCFZLNTOZQBY-CQSZACIVSA-N 0 0 324.768 0.918 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2Cc3cccnc3C2)CC1 ZINC000556087904 288369769 /nfs/dbraw/zinc/36/97/69/288369769.db2.gz FWACECAGAGOXOJ-LBPRGKRZSA-N 0 0 302.378 0.476 10 0 DCAERN C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557384372 288418571 /nfs/dbraw/zinc/41/85/71/288418571.db2.gz IZALRULIHYJVHW-RYUDHWBXSA-N 0 0 316.361 0.892 10 0 DCAERN CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000558877944 288461946 /nfs/dbraw/zinc/46/19/46/288461946.db2.gz HXNFWZCNTRAORM-MLGOLLRUSA-N 0 0 319.409 0.908 10 0 DCAERN COC[C@@H](NC(=O)C(=O)NCc1nnc2ccccn21)C(C)C ZINC000559293135 288471609 /nfs/dbraw/zinc/47/16/09/288471609.db2.gz IZSQKQFNMJDFKS-LLVKDONJSA-N 0 0 319.365 0.133 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408019652 288478310 /nfs/dbraw/zinc/47/83/10/288478310.db2.gz YGMNVHFJRUCZHS-JSGCOSHPSA-N 0 0 318.439 0.710 10 0 DCAERN CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCOCC1=O ZINC000562297709 288563970 /nfs/dbraw/zinc/56/39/70/288563970.db2.gz NVYUZDHMDPPPRV-UHFFFAOYSA-N 0 0 320.345 0.275 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCN1C(C)=O ZINC000408446912 288633784 /nfs/dbraw/zinc/63/37/84/288633784.db2.gz SIQSYBFMSUJIJS-NWDGAFQWSA-N 0 0 305.382 0.803 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)CS(C)(=O)=O ZINC000087563274 288635032 /nfs/dbraw/zinc/63/50/32/288635032.db2.gz YAZJOQXJACVJGH-NXEZZACHSA-N 0 0 314.411 0.472 10 0 DCAERN C[C@H](F)CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000563900555 288714036 /nfs/dbraw/zinc/71/40/36/288714036.db2.gz ILQZCJXMKQVPME-QMMMGPOBSA-N 0 0 310.372 0.360 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279604071 288932792 /nfs/dbraw/zinc/93/27/92/288932792.db2.gz VXFYWFMNHANKKM-KCTSRDHCSA-N 0 0 316.357 0.954 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@@](C)(O)C3)cnc12 ZINC000180537056 292709304 /nfs/dbraw/zinc/70/93/04/292709304.db2.gz ZIPGIAQWYVFWMC-MRXNPFEDSA-N 0 0 301.346 0.990 10 0 DCAERN C[C@H](C(=O)N1CCC(=O)[C@@H](C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000377095262 289260405 /nfs/dbraw/zinc/26/04/05/289260405.db2.gz RHVVCHMGXAFTFW-WDEREUQCSA-N 0 0 321.377 0.677 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000329169692 289265216 /nfs/dbraw/zinc/26/52/16/289265216.db2.gz JSZBOLKCTKQZMV-XQHKEYJVSA-N 0 0 316.423 0.294 10 0 DCAERN Cc1ccn(-c2ccc(N3CCO[C@]4(CCOC4)C3)nn2)n1 ZINC000302214206 292730061 /nfs/dbraw/zinc/73/00/61/292730061.db2.gz GKASLXBULDCPHA-OAHLLOKOSA-N 0 0 301.350 0.966 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCCn2ncnc21)Cn1cccn1 ZINC000177320008 289671661 /nfs/dbraw/zinc/67/16/61/289671661.db2.gz VCFAIRBMHCAKHR-NEPJUHHUSA-N 0 0 303.370 0.945 10 0 DCAERN CN1CCCN(C(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000189769254 289934495 /nfs/dbraw/zinc/93/44/95/289934495.db2.gz RWMJZAPUHIHKOW-UHFFFAOYSA-N 0 0 310.375 0.394 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C(C)(C)C1=O ZINC000333610531 290039213 /nfs/dbraw/zinc/03/92/13/290039213.db2.gz GROXWCQSYMDPKO-UONOGXRCSA-N 0 0 323.437 0.709 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@@H]21 ZINC000285532475 290082163 /nfs/dbraw/zinc/08/21/63/290082163.db2.gz NSYGEMAVVPSXES-MELADBBJSA-N 0 0 319.409 0.902 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)CCC1=O ZINC000151785780 290306087 /nfs/dbraw/zinc/30/60/87/290306087.db2.gz BLUZFFDNOJIGIP-GRYCIOLGSA-N 0 0 310.398 0.341 10 0 DCAERN COC[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)C1CC1 ZINC000126685891 293129200 /nfs/dbraw/zinc/12/92/00/293129200.db2.gz GZVCYZNGMZROFK-NSHDSACASA-N 0 0 304.412 0.630 10 0 DCAERN Cc1nc(-c2ccco2)ccc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180271333 293144640 /nfs/dbraw/zinc/14/46/40/293144640.db2.gz UOLMFBBUHUWZFG-CYBMUJFWSA-N 0 0 315.329 0.976 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000133633721 297051432 /nfs/dbraw/zinc/05/14/32/297051432.db2.gz QMEROECNRDXBGS-VXGBXAGGSA-N 0 0 304.412 0.595 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000408197675 294044209 /nfs/dbraw/zinc/04/42/09/294044209.db2.gz LWEIROQUDZPFMH-SECBINFHSA-N 0 0 318.333 0.186 10 0 DCAERN CO[C@@]1(C)C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000375085680 294157251 /nfs/dbraw/zinc/15/72/51/294157251.db2.gz UCZKHXLSHBNDGY-ZWUHOBOKSA-N 0 0 312.410 0.630 10 0 DCAERN Cn1c2cccc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)c2oc1=O ZINC000128935420 294183487 /nfs/dbraw/zinc/18/34/87/294183487.db2.gz BYFRBQCQWHVMBN-STQMWFEESA-N 0 0 317.345 0.287 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CCOC(C)(C)C1)C2 ZINC000408323613 294462534 /nfs/dbraw/zinc/46/25/34/294462534.db2.gz ABYXXIQDRGIACR-LLVKDONJSA-N 0 0 320.393 0.806 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074463731 297121619 /nfs/dbraw/zinc/12/16/19/297121619.db2.gz YSPBQBJSJGWUAN-UXIGCNINSA-N 0 0 303.362 0.848 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333116268 297172282 /nfs/dbraw/zinc/17/22/82/297172282.db2.gz FWRUWAHBUPYJLC-WISYIIOYSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCSCC1)n1cncn1 ZINC000369283828 298039687 /nfs/dbraw/zinc/03/96/87/298039687.db2.gz FHZLEDQHDXIBIP-NEPJUHHUSA-N 0 0 323.422 0.406 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)n1nnnc1C(C)(C)C ZINC000408141629 298100701 /nfs/dbraw/zinc/10/07/01/298100701.db2.gz VCDFTMDDHMSSNC-GMTAPVOTSA-N 0 0 322.413 0.644 10 0 DCAERN C[C@H](CC(=O)N1CCC[C@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000407983781 298291084 /nfs/dbraw/zinc/29/10/84/298291084.db2.gz RMVVAFLZOIIZEW-OLZOCXBDSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)N1CCOCC1 ZINC000172121252 298721928 /nfs/dbraw/zinc/72/19/28/298721928.db2.gz SYSOQKIMLZSTSP-JKXDFHQYSA-N 0 0 311.426 0.510 10 0 DCAERN 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/nfs/dbraw/zinc/86/74/27/332867427.db2.gz FBHXYTFYXVQTTE-FIQHERPVSA-N 0 0 307.354 0.676 10 0 DCAERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCO[C@@H](C2CC2)C1 ZINC000332824750 332880602 /nfs/dbraw/zinc/88/06/02/332880602.db2.gz STQMVPYLGHEAEY-WCQYABFASA-N 0 0 316.423 0.632 10 0 DCAERN CO[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC000187684812 332982533 /nfs/dbraw/zinc/98/25/33/332982533.db2.gz QQQORLFNSUDTNN-AAEUAGOBSA-N 0 0 318.439 0.878 10 0 DCAERN O=C(CN1CSCC1=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188252994 333040656 /nfs/dbraw/zinc/04/06/56/333040656.db2.gz RBTLBORBIOGUTN-UHFFFAOYSA-N 0 0 317.374 0.798 10 0 DCAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CNC(N)=O ZINC000188593200 333049856 /nfs/dbraw/zinc/04/98/56/333049856.db2.gz KGRXDLLUXYKFLX-UHFFFAOYSA-N 0 0 304.350 0.742 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000188617838 333050658 /nfs/dbraw/zinc/05/06/58/333050658.db2.gz CGYHBANPWXWFKV-JTQLQIEISA-N 0 0 309.391 0.730 10 0 DCAERN CCc1ccc([C@H](COC)NC[C@H](O)CN2CCOCC2)o1 ZINC000184800647 333201447 /nfs/dbraw/zinc/20/14/47/333201447.db2.gz LZZYENIWZGGORZ-ZFWWWQNUSA-N 0 0 312.410 0.812 10 0 DCAERN Cc1cnn(CCNC(=O)c2c(C)nn(C)c2-n2cccn2)c1 ZINC000189662498 333224685 /nfs/dbraw/zinc/22/46/85/333224685.db2.gz SJFRWYKEZFQLFI-UHFFFAOYSA-N 0 0 313.365 0.849 10 0 DCAERN COC(C)(C)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000170966971 334103582 /nfs/dbraw/zinc/10/35/82/334103582.db2.gz FJSGMXFNRIWUGU-UHFFFAOYSA-N 0 0 317.349 0.747 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000582539830 337106769 /nfs/dbraw/zinc/10/67/69/337106769.db2.gz FIYXXMAUYHCASU-MNOVXSKESA-N 0 0 302.334 0.909 10 0 DCAERN C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C1(C(=O)[O-])CCCC1 ZINC000583036206 337232252 /nfs/dbraw/zinc/23/22/52/337232252.db2.gz CORYXDWYVFTLDC-NSHDSACASA-N 0 0 304.412 0.597 10 0 DCAERN Cn1c2nnc(C(Cl)(Cl)Cl)nc2c(=O)n(C)c1=O ZINC000584659176 337378206 /nfs/dbraw/zinc/37/82/06/337378206.db2.gz ZIMQXVREYRCTCI-UHFFFAOYSA-N 0 0 310.528 0.249 10 0 DCAERN 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0.964 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187304189 533960852 /nfs/dbraw/zinc/96/08/52/533960852.db2.gz JDCQDHOPTBOXPC-GFCCVEGCSA-N 0 0 306.362 0.403 10 0 DCAERN C[C@H](O)C1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000172576179 534049516 /nfs/dbraw/zinc/04/95/16/534049516.db2.gz YHXSTTFRCCEFHP-ZDUSSCGKSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1ccc(NC(=O)N2CCN(CCO)[C@H](C)C2)cc1C(N)=O ZINC000188849685 534180816 /nfs/dbraw/zinc/18/08/16/534180816.db2.gz GQBIKHWVUJLZBK-GFCCVEGCSA-N 0 0 320.393 0.624 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nccnc2OC(C)C)C1 ZINC000302594953 517742870 /nfs/dbraw/zinc/74/28/70/517742870.db2.gz XFIURAIQLHRQMB-UHFFFAOYSA-N 0 0 314.411 0.957 10 0 DCAERN CC(C)C[C@H](CNC(=O)N1CC[C@H](CO)C1)N1CCOCC1 ZINC000119147699 519349212 /nfs/dbraw/zinc/34/92/12/519349212.db2.gz JEQPEMCLMBOGRH-LSDHHAIUSA-N 0 0 313.442 0.757 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000191349912 519647126 /nfs/dbraw/zinc/64/71/26/519647126.db2.gz ZYFWHEBQSKZQLA-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/47/79/57/534477957.db2.gz MTLAKKNEYADKRK-RKDXNWHRSA-N 0 0 314.329 0.269 10 0 DCAERN CCN(C)S(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000189165376 520263627 /nfs/dbraw/zinc/26/36/27/520263627.db2.gz BRXNCCWTDOQPRA-UHFFFAOYSA-N 0 0 309.395 0.800 10 0 DCAERN CC1(C)CN(CC(=O)NCc2ccccc2)CCS1(=O)=O ZINC000155249316 520464278 /nfs/dbraw/zinc/46/42/78/520464278.db2.gz WRLZDRVMKSSHAF-UHFFFAOYSA-N 0 0 310.419 0.812 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000112982352 520530819 /nfs/dbraw/zinc/53/08/19/520530819.db2.gz ACJYUTMGWAJPEX-ZDUSSCGKSA-N 0 0 317.393 0.855 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1ccnn1C)CC2 ZINC000161974043 520580236 /nfs/dbraw/zinc/58/02/36/520580236.db2.gz WWZNCUWGHAXBNW-KBPBESRZSA-N 0 0 322.409 0.882 10 0 DCAERN O=C(CN1C(=O)CSc2ccccc21)N1CCS(=O)CC1 ZINC000171659860 534512118 /nfs/dbraw/zinc/51/21/18/534512118.db2.gz DZTBWJUVNVGBPI-UHFFFAOYSA-N 0 0 324.427 0.716 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000113234059 521651935 /nfs/dbraw/zinc/65/19/35/521651935.db2.gz CSOFGVJPNGWBAW-VHSXEESVSA-N 0 0 316.379 0.337 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000267185917 521754203 /nfs/dbraw/zinc/75/42/03/521754203.db2.gz WFTACJQILDHFHE-RFAUZJTJSA-N 0 0 318.381 0.728 10 0 DCAERN CCc1ccccc1CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000188515544 521819360 /nfs/dbraw/zinc/81/93/60/521819360.db2.gz DWFSPHYVWJKLKU-AWEZNQCLSA-N 0 0 310.419 0.942 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2ccnn2C)c(C)o1 ZINC000166931562 521911707 /nfs/dbraw/zinc/91/17/07/521911707.db2.gz XDXGTBSOVZPCQA-UHFFFAOYSA-N 0 0 313.335 0.587 10 0 DCAERN CCc1nc(C2(NC(=O)CN3CC(=O)NC3=O)CCCC2)no1 ZINC000267351998 522242092 /nfs/dbraw/zinc/24/20/92/522242092.db2.gz CVRIIFMQBDECBR-UHFFFAOYSA-N 0 0 321.337 0.069 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCc1cccnc1-n1ccnc1 ZINC000131517092 522386018 /nfs/dbraw/zinc/38/60/18/522386018.db2.gz AXSGUWIUGJXMIY-ZDUSSCGKSA-N 0 0 319.365 0.464 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000267930354 522516508 /nfs/dbraw/zinc/51/65/08/522516508.db2.gz DNPDNDWMCWOPSM-VHSXEESVSA-N 0 0 306.370 0.205 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000189452210 522810192 /nfs/dbraw/zinc/81/01/92/522810192.db2.gz MRNMWFSLRFLWTE-HNNXBMFYSA-N 0 0 319.405 0.849 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@H](C)C1 ZINC000189993637 523077074 /nfs/dbraw/zinc/07/70/74/523077074.db2.gz GVWLTQIWXAALCF-MGPQQGTHSA-N 0 0 312.410 0.897 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246989317 523138180 /nfs/dbraw/zinc/13/81/80/523138180.db2.gz HSCZAYPZRHDEDB-MGPQQGTHSA-N 0 0 309.410 0.367 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@@H](O)C2)[C@H]1c1ccccc1 ZINC000368940066 523693648 /nfs/dbraw/zinc/69/36/48/523693648.db2.gz UMARJTGQIPZUPX-YUELXQCFSA-N 0 0 304.346 0.178 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@H](O)C(C)(C)C ZINC000324477830 523704426 /nfs/dbraw/zinc/70/44/26/523704426.db2.gz IGJGAUZYSIOGDY-MXWKQRLJSA-N 0 0 307.412 0.655 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000298149547 534745821 /nfs/dbraw/zinc/74/58/21/534745821.db2.gz MOGKOAVKPCVSOB-LBPRGKRZSA-N 0 0 319.386 0.160 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000130088750 523965095 /nfs/dbraw/zinc/96/50/95/523965095.db2.gz VKHRAJSYAKQAAW-CYBMUJFWSA-N 0 0 305.382 0.535 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@@H]1C ZINC000191310665 524004490 /nfs/dbraw/zinc/00/44/90/524004490.db2.gz MGLZAKIMJWZOJH-JQWIXIFHSA-N 0 0 307.350 0.207 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191477509 524015668 /nfs/dbraw/zinc/01/56/68/524015668.db2.gz QZYICJRQJLFQAD-KGLIPLIRSA-N 0 0 316.361 0.654 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)CCC1=O ZINC000128779598 524022477 /nfs/dbraw/zinc/02/24/77/524022477.db2.gz MEUPJUJMBAYNGE-CQSZACIVSA-N 0 0 319.409 0.926 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)cn1 ZINC000190355129 524076332 /nfs/dbraw/zinc/07/63/32/524076332.db2.gz GGRFCYYVWFTWRE-CMPLNLGQSA-N 0 0 309.370 0.518 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000154919888 524081857 /nfs/dbraw/zinc/08/18/57/524081857.db2.gz ODTMDVPDFQVSLT-SNVBAGLBSA-N 0 0 306.370 0.533 10 0 DCAERN O=C(c1ccncc1F)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000172824559 534765202 /nfs/dbraw/zinc/76/52/02/534765202.db2.gz WSRPBZOJYVNXCO-GFCCVEGCSA-N 0 0 321.352 0.932 10 0 DCAERN C[C@@H](CC(=O)N1CCCNC(=O)[C@@H]1C)NC(=O)C1CCCC1 ZINC000188919342 524351900 /nfs/dbraw/zinc/35/19/00/524351900.db2.gz WTFJPWAHVXXYQB-RYUDHWBXSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1ccc(CNC(=O)[C@H](C)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000249581630 524548466 /nfs/dbraw/zinc/54/84/66/524548466.db2.gz RHMWEXXXUSJVSF-HOTGVXAUSA-N 0 0 319.449 0.998 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCn1cnc2ccccc2c1=O ZINC000151918458 524568465 /nfs/dbraw/zinc/56/84/65/524568465.db2.gz IYMHCELDJHDBIG-NEPJUHHUSA-N 0 0 303.362 0.920 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245693798 524573878 /nfs/dbraw/zinc/57/38/78/524573878.db2.gz VBXOGTZCWSNEIA-OICBVUGWSA-N 0 0 305.378 0.734 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H](C)O1 ZINC000186169634 524663144 /nfs/dbraw/zinc/66/31/44/524663144.db2.gz GPRXEIIRBVSXSX-IUCAKERBSA-N 0 0 309.338 0.946 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C[C@H](C(N)=O)O1 ZINC000364876569 524821762 /nfs/dbraw/zinc/82/17/62/524821762.db2.gz BQFXSQRWPMEJIW-OJAKKHQRSA-N 0 0 311.382 0.228 10 0 DCAERN Cc1cccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000157783827 524889054 /nfs/dbraw/zinc/88/90/54/524889054.db2.gz JIBZACQBMAMEPE-NWDGAFQWSA-N 0 0 302.334 0.652 10 0 DCAERN Cc1cccc2c(CCNC(=O)CN3CC(=O)NC3=O)c[nH]c21 ZINC000128712297 524935043 /nfs/dbraw/zinc/93/50/43/524935043.db2.gz UNXREYJSMFMOEO-UHFFFAOYSA-N 0 0 314.345 0.687 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)N3CC(CO)C3)CC2)nc1 ZINC000189246329 524939849 /nfs/dbraw/zinc/93/98/49/524939849.db2.gz MNSQACZNUROFCU-UHFFFAOYSA-N 0 0 304.394 0.993 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000135324682 525048836 /nfs/dbraw/zinc/04/88/36/525048836.db2.gz XBYFIZCWKMXGID-ZWNOBZJWSA-N 0 0 324.402 0.916 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000156744526 525123542 /nfs/dbraw/zinc/12/35/42/525123542.db2.gz DGGFZRLSWBLIKA-NHYWBVRUSA-N 0 0 304.346 0.214 10 0 DCAERN CS(=O)(=O)CCc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000133785128 525135127 /nfs/dbraw/zinc/13/51/27/525135127.db2.gz YNAXEOKDBFMTEY-NSHDSACASA-N 0 0 310.375 0.348 10 0 DCAERN C[C@](O)(CO)CNc1ncccc1I ZINC000307298361 525183830 /nfs/dbraw/zinc/18/38/30/525183830.db2.gz QUBMEKRPZNAOCH-SECBINFHSA-N 0 0 308.119 0.841 10 0 DCAERN COc1ccc([C@H](C)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000181040257 525287356 /nfs/dbraw/zinc/28/73/56/525287356.db2.gz NFTXDDUSFCSQSS-LBPRGKRZSA-N 0 0 306.362 0.774 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@]12CCOC2=O ZINC000186542911 525356265 /nfs/dbraw/zinc/35/62/65/525356265.db2.gz XYNDMOYFXHDJRG-MEBBXXQBSA-N 0 0 306.318 0.706 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186047704 525365175 /nfs/dbraw/zinc/36/51/75/525365175.db2.gz GCJWWSXUHHIHQV-IAQYHMDHSA-N 0 0 308.334 0.416 10 0 DCAERN C[S@](=O)CCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000154840806 525381909 /nfs/dbraw/zinc/38/19/09/525381909.db2.gz ZCCDQWINAXMWSI-RNODOKPDSA-N 0 0 320.480 0.079 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C)s1 ZINC000131462015 525407866 /nfs/dbraw/zinc/40/78/66/525407866.db2.gz OEPKWJSSSFMRNO-UWVGGRQHSA-N 0 0 318.420 0.676 10 0 DCAERN Cc1ccc(S(=O)(=O)NCC2(CCO)CC2)cc1C(N)=O ZINC000157273012 525567203 /nfs/dbraw/zinc/56/72/03/525567203.db2.gz UUYAKLKFJCMWQD-UHFFFAOYSA-N 0 0 312.391 0.535 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C ZINC000188231778 525593858 /nfs/dbraw/zinc/59/38/58/525593858.db2.gz SYTRLMNEIKDMNB-GMXVVIOVSA-N 0 0 302.396 0.979 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@]34CCOC4=O)c2n1 ZINC000186549089 525622558 /nfs/dbraw/zinc/62/25/58/525622558.db2.gz WQHBBPZVRLEAPG-OAHLLOKOSA-N 0 0 300.318 0.959 10 0 DCAERN C[C@H](O)CCN(C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000181044684 525716917 /nfs/dbraw/zinc/71/69/17/525716917.db2.gz DVUFQNBOFQUJAV-JTQLQIEISA-N 0 0 317.349 0.640 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104892039 526207046 /nfs/dbraw/zinc/20/70/46/526207046.db2.gz CLZUFWYBBUWJBF-QMMMGPOBSA-N 0 0 320.740 0.276 10 0 DCAERN COc1cccc(O[C@H](C)CNC(=O)N2CCO[C@@H](CO)C2)c1 ZINC000267531679 526240564 /nfs/dbraw/zinc/24/05/64/526240564.db2.gz AGIPAGLGLWUMDH-IUODEOHRSA-N 0 0 324.377 0.865 10 0 DCAERN O=C(NCCNC(=O)N1CCC[C@H](CO)C1)c1ccccc1 ZINC000122751130 526325496 /nfs/dbraw/zinc/32/54/96/526325496.db2.gz MMHZBDSBYMGGEN-ZDUSSCGKSA-N 0 0 305.378 0.830 10 0 DCAERN O=C(NCCOc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000364174558 526362559 /nfs/dbraw/zinc/36/25/59/526362559.db2.gz VWZHRGIVUZFHSV-CQSZACIVSA-N 0 0 305.378 0.791 10 0 DCAERN Cc1noc(C)c1[C@H](C)CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000156874772 526572709 /nfs/dbraw/zinc/57/27/09/526572709.db2.gz LEHIGUDVPGPWME-MRVPVSSYSA-N 0 0 320.349 0.821 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCCc3c(C(N)=O)cccc32)C1 ZINC000175565637 526641892 /nfs/dbraw/zinc/64/18/92/526641892.db2.gz SAPRWBRMOASJMT-GFCCVEGCSA-N 0 0 315.373 0.933 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(N(C)C)c2)C1 ZINC000330974390 526651278 /nfs/dbraw/zinc/65/12/78/526651278.db2.gz LHAKHLLPXBYRFI-GFCCVEGCSA-N 0 0 311.407 0.652 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C)C2)n1 ZINC000365025540 526655390 /nfs/dbraw/zinc/65/53/90/526655390.db2.gz FKUTUJWCEHNXOQ-JQWIXIFHSA-N 0 0 322.365 0.536 10 0 DCAERN Cc1oc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000131875067 526759617 /nfs/dbraw/zinc/75/96/17/526759617.db2.gz MXVOWUJIKFFITP-IUCAKERBSA-N 0 0 318.395 0.585 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)N[C@H]1CCCC[C@H]1CO ZINC000150988588 526840712 /nfs/dbraw/zinc/84/07/12/526840712.db2.gz RMVIVHAQASFPCG-AAEUAGOBSA-N 0 0 309.366 0.746 10 0 DCAERN Cc1nc(CNC(=O)CN2C(=O)c3ccc(C)cc3C2=O)no1 ZINC000134991149 526877690 /nfs/dbraw/zinc/87/76/90/526877690.db2.gz MSXWWWYLBDYLMU-UHFFFAOYSA-N 0 0 314.301 0.599 10 0 DCAERN O=C(c1cnn2cc(Br)cnc12)N1CCOCC1 ZINC000124370485 526891363 /nfs/dbraw/zinc/89/13/63/526891363.db2.gz DZWALVRXRSTZCP-UHFFFAOYSA-N 0 0 311.139 0.964 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CNC(=O)C1 ZINC000157106112 526917019 /nfs/dbraw/zinc/91/70/19/526917019.db2.gz DHKRYKCAXGFHMN-QWHCGFSZSA-N 0 0 307.394 0.420 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)C2)no1 ZINC000267701252 526922216 /nfs/dbraw/zinc/92/22/16/526922216.db2.gz RNUFNLBLPKAATJ-NEPJUHHUSA-N 0 0 321.381 0.573 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000191641586 526957753 /nfs/dbraw/zinc/95/77/53/526957753.db2.gz HLELYPORHVEFSZ-DGCLKSJQSA-N 0 0 312.333 0.297 10 0 DCAERN O=C(COc1ccc2c(c1)CCCC2)N[C@H]1CCC(=O)NC1=O ZINC000153309406 526969963 /nfs/dbraw/zinc/96/99/63/526969963.db2.gz CYABKCDQGQGQPG-AWEZNQCLSA-N 0 0 316.357 0.866 10 0 DCAERN O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CCC(=O)NC1=O ZINC000153309291 526970252 /nfs/dbraw/zinc/97/02/52/526970252.db2.gz CYABKCDQGQGQPG-CQSZACIVSA-N 0 0 316.357 0.866 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nc1 ZINC000121024703 527038447 /nfs/dbraw/zinc/03/84/47/527038447.db2.gz NQLOGQBUSWCTLD-WBMJQRKESA-N 0 0 303.362 0.948 10 0 DCAERN NC(=O)c1ccc(C(=O)NC[C@]2(O)CCc3ccccc32)cn1 ZINC000158405947 527041298 /nfs/dbraw/zinc/04/12/98/527041298.db2.gz MDLYZPDIJXBSOM-QGZVFWFLSA-N 0 0 311.341 0.744 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)ccc2o1 ZINC000125266117 527123495 /nfs/dbraw/zinc/12/34/95/527123495.db2.gz PYFNWELUVZJJFY-QMMMGPOBSA-N 0 0 316.317 0.422 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)CC2 ZINC000245397509 527194171 /nfs/dbraw/zinc/19/41/71/527194171.db2.gz PNCGXSIYAGNQSN-PWSUYJOCSA-N 0 0 313.427 0.468 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)/C=C/c3cncc(O)c3)C2)cn1 ZINC000365025405 527253032 /nfs/dbraw/zinc/25/30/32/527253032.db2.gz YTDXQFHBFXBKQM-YWVDXFKGSA-N 0 0 313.361 0.929 10 0 DCAERN O=C(Cc1cccc(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000128060108 527259579 /nfs/dbraw/zinc/25/95/79/527259579.db2.gz TXVASHRBUBJASJ-AWEZNQCLSA-N 0 0 312.797 0.692 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC(=O)N(C)C3)CCO2)cn1 ZINC000267577171 527303149 /nfs/dbraw/zinc/30/31/49/527303149.db2.gz IKHGMVYBNQKZEM-STQMWFEESA-N 0 0 321.381 0.124 10 0 DCAERN Cn1cnc2cc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)ccc21 ZINC000129547204 527496857 /nfs/dbraw/zinc/49/68/57/527496857.db2.gz WHOMXZPQRBQOAP-LLVKDONJSA-N 0 0 322.390 0.337 10 0 DCAERN O=C(NC1CCCC1)c1ccc(NC[C@@]2(O)CCOC2)nn1 ZINC000269959907 527510822 /nfs/dbraw/zinc/51/08/22/527510822.db2.gz IXNJCDQDBWKBGF-HNNXBMFYSA-N 0 0 306.366 0.712 10 0 DCAERN CC(C)OCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000190204574 527962401 /nfs/dbraw/zinc/96/24/01/527962401.db2.gz DAKNXQXCQQVXEP-ZIAGYGMSSA-N 0 0 320.455 0.536 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000151772612 528385991 /nfs/dbraw/zinc/38/59/91/528385991.db2.gz MVUNSYVIFCKXFH-IJLUTSLNSA-N 0 0 300.424 0.965 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC000176286899 528428633 /nfs/dbraw/zinc/42/86/33/528428633.db2.gz QJROTRYPYWMOJS-KGLIPLIRSA-N 0 0 309.410 0.620 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC000176286867 528429070 /nfs/dbraw/zinc/42/90/70/528429070.db2.gz QJROTRYPYWMOJS-ZIAGYGMSSA-N 0 0 309.410 0.620 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173059750 528680180 /nfs/dbraw/zinc/68/01/80/528680180.db2.gz DGHOHYXQFKTGLV-AVGNSLFASA-N 0 0 306.428 0.841 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000400295986 528806655 /nfs/dbraw/zinc/80/66/55/528806655.db2.gz QOZQTBSJQQDPFW-XQQFMLRXSA-N 0 0 318.439 0.420 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000186481325 528890333 /nfs/dbraw/zinc/89/03/33/528890333.db2.gz WEOJIJBSHKSXFC-NEPJUHHUSA-N 0 0 308.382 0.899 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178898142 528890636 /nfs/dbraw/zinc/89/06/36/528890636.db2.gz NZODSWSGPWKMRH-LLVKDONJSA-N 0 0 309.370 0.118 10 0 DCAERN CC1(C)CN(CCNC(=O)NCc2cc(C(N)=O)co2)CCO1 ZINC000186747834 529118682 /nfs/dbraw/zinc/11/86/82/529118682.db2.gz UUTRXAQQFNHZNN-UHFFFAOYSA-N 0 0 324.381 0.289 10 0 DCAERN CC/C=C/CNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000459029725 535236926 /nfs/dbraw/zinc/23/69/26/535236926.db2.gz YEPATSBHCYHISF-SNAWJCMRSA-N 0 0 303.428 0.923 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000457577945 536882274 /nfs/dbraw/zinc/88/22/74/536882274.db2.gz MRXRXXIKDGCKPM-JTQLQIEISA-N 0 0 313.375 0.945 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CCCS2)C1 ZINC000408246603 546230992 /nfs/dbraw/zinc/23/09/92/546230992.db2.gz NSRQZDHFFLUCRQ-NXEZZACHSA-N 0 0 307.441 0.215 10 0 DCAERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000024229907 545643276 /nfs/dbraw/zinc/64/32/76/545643276.db2.gz NBTFYAHJZSETFX-HLTSFMKQSA-N 0 0 311.304 0.872 10 0 DCAERN O=C(CN1CCNC(=O)CC1)NCCOc1cccc(F)c1 ZINC000065954654 545659134 /nfs/dbraw/zinc/65/91/34/545659134.db2.gz KABLDYWHCPZAGB-UHFFFAOYSA-N 0 0 309.341 0.143 10 0 DCAERN COC(=O)[C@](C)([NH3+])CCn1cc(I)cn1 ZINC000070678539 545661362 /nfs/dbraw/zinc/66/13/62/545661362.db2.gz YSRYFLGYVUNLEJ-SECBINFHSA-N 0 0 323.134 0.768 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1C ZINC000074812604 545671334 /nfs/dbraw/zinc/67/13/34/545671334.db2.gz YXUJPBKAFNWFMN-UHFFFAOYSA-N 0 0 324.402 0.999 10 0 DCAERN COc1ccccc1OCC(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000074774726 545671477 /nfs/dbraw/zinc/67/14/77/545671477.db2.gz KRUYEGRXWVFSOD-CYBMUJFWSA-N 0 0 308.378 0.863 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000077207585 545679326 /nfs/dbraw/zinc/67/93/26/545679326.db2.gz GVLYNEAWBCNHBO-AVGNSLFASA-N 0 0 318.439 0.325 10 0 DCAERN [NH3+][C@]1(C(=O)[O-])CC[C@H](n2cc(I)cn2)C1 ZINC000086627123 545706732 /nfs/dbraw/zinc/70/67/32/545706732.db2.gz TZNXQNLVEHZKMV-IONNQARKSA-N 0 0 321.118 0.995 10 0 DCAERN CN(C[C@@H]1CCCOC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000107649278 545733141 /nfs/dbraw/zinc/73/31/41/545733141.db2.gz WFPKVPLGZOAIFQ-NSHDSACASA-N 0 0 319.365 0.015 10 0 DCAERN O=C(CCCc1ccccn1)NC[C@H](O)CN1CCOCC1 ZINC000128063929 545779435 /nfs/dbraw/zinc/77/94/35/545779435.db2.gz CNVZUMNQXLIKPH-HNNXBMFYSA-N 0 0 307.394 0.214 10 0 DCAERN COCCc1cc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n(C)n1 ZINC000128346670 545780562 /nfs/dbraw/zinc/78/05/62/545780562.db2.gz PBYVCQHAQVAZGM-NSHDSACASA-N 0 0 321.381 0.494 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCCC1=CCCC1)c2=O ZINC000131244345 545789117 /nfs/dbraw/zinc/78/91/17/545789117.db2.gz PZKXBMORHABYDP-UHFFFAOYSA-N 0 0 301.350 0.747 10 0 DCAERN CN1CCN(C(=O)NCc2ccn(C3CCCC3)n2)CC1=O ZINC000152344793 545823577 /nfs/dbraw/zinc/82/35/77/545823577.db2.gz UZSUUZHJUCIHBR-UHFFFAOYSA-N 0 0 305.382 0.982 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)no2)c1 ZINC000152781642 545828831 /nfs/dbraw/zinc/82/88/31/545828831.db2.gz LRLIVLDOLCAVQM-LLVKDONJSA-N 0 0 317.349 0.578 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCNc1ccccn1 ZINC000156071886 545846017 /nfs/dbraw/zinc/84/60/17/545846017.db2.gz KBBWTRXFFCQVLT-GFCCVEGCSA-N 0 0 305.382 0.804 10 0 DCAERN CNC(=O)[C@H](NC(=O)C[C@@H]1c2ccccc2NC1=O)C(C)C ZINC000178697633 545896156 /nfs/dbraw/zinc/89/61/56/545896156.db2.gz UTSXOMAQHGXBQQ-BXUZGUMPSA-N 0 0 303.362 0.999 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCNC(=O)CC1 ZINC000179765436 545900159 /nfs/dbraw/zinc/90/01/59/545900159.db2.gz ATEGOHDRBJTOFJ-UHFFFAOYSA-N 0 0 307.398 0.501 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000179686886 545900189 /nfs/dbraw/zinc/90/01/89/545900189.db2.gz SAIBRFUDMZHTCA-SNVBAGLBSA-N 0 0 322.745 0.354 10 0 DCAERN COc1ccc([C@@H](C)NCc2nc(N)nc(N)n2)cc1OC ZINC000180861163 545902416 /nfs/dbraw/zinc/90/24/16/545902416.db2.gz FWPHDSHMXQBAFO-MRVPVSSYSA-N 0 0 304.354 0.904 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000183530233 545908541 /nfs/dbraw/zinc/90/85/41/545908541.db2.gz KRQKKVPCAWZQPH-QMMMGPOBSA-N 0 0 317.139 0.629 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000188483526 545917059 /nfs/dbraw/zinc/91/70/59/545917059.db2.gz BMOGJWGKQMUQJT-LBPRGKRZSA-N 0 0 303.362 0.483 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C)C(=O)C1)C(C)C ZINC000188726882 545918378 /nfs/dbraw/zinc/91/83/78/545918378.db2.gz KJBBAOCCUNWJKZ-SWLSCSKDSA-N 0 0 311.426 0.910 10 0 DCAERN CCN1CCCN(C(=O)CCNC(=O)c2cccs2)CC1=O ZINC000190460901 545923943 /nfs/dbraw/zinc/92/39/43/545923943.db2.gz SQULFYFJCTVXMD-UHFFFAOYSA-N 0 0 323.418 0.949 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000191306443 545925749 /nfs/dbraw/zinc/92/57/49/545925749.db2.gz HCAUDZBVKUEVMG-OAHLLOKOSA-N 0 0 323.437 0.350 10 0 DCAERN CCN1CN(C(=O)Nc2cc(-n3cnnn3)ccc2C)CC1=O ZINC000191520745 545926276 /nfs/dbraw/zinc/92/62/76/545926276.db2.gz XYNJWHPZKKRVBR-UHFFFAOYSA-N 0 0 315.337 0.624 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)nn1-c1ccccc1 ZINC000191988589 545926631 /nfs/dbraw/zinc/92/66/31/545926631.db2.gz HGPXIIVPDDVUKP-XJKSGUPXSA-N 0 0 315.373 0.996 10 0 DCAERN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)(C)C ZINC000193917891 545931292 /nfs/dbraw/zinc/93/12/92/545931292.db2.gz WMPKWXJOKFAFCN-SNVBAGLBSA-N 0 0 314.473 0.622 10 0 DCAERN CN1C(=O)CO[C@@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccccc1 ZINC000223224583 545942381 /nfs/dbraw/zinc/94/23/81/545942381.db2.gz WXUJGKPGOVCCPX-LSDHHAIUSA-N 0 0 318.373 0.474 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000246087624 545963144 /nfs/dbraw/zinc/96/31/44/545963144.db2.gz IZMQIHYXFWPKKV-MELADBBJSA-N 0 0 320.455 0.272 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282177829 545998564 /nfs/dbraw/zinc/99/85/64/545998564.db2.gz ZESMORQJIJVJCW-SNVBAGLBSA-N 0 0 310.375 0.740 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000305429413 546019712 /nfs/dbraw/zinc/01/97/12/546019712.db2.gz DETHTSQCGAWPSF-DTWKUNHWSA-N 0 0 318.377 0.886 10 0 DCAERN COC[C@@]1(CNS(=O)(=O)Cc2cc(C)on2)CCC[NH2+]1 ZINC000312424614 546023126 /nfs/dbraw/zinc/02/31/26/546023126.db2.gz KWUACCVFYKGIEH-LBPRGKRZSA-N 0 0 303.384 0.171 10 0 DCAERN COc1cccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1 ZINC000313688158 546024557 /nfs/dbraw/zinc/02/45/57/546024557.db2.gz POAISXCNXMIXPY-CYBMUJFWSA-N 0 0 301.364 0.203 10 0 DCAERN O=C(c1cn2ccccc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000329756611 546054958 /nfs/dbraw/zinc/05/49/58/546054958.db2.gz YTBBDHMVDOBQOM-ZDUSSCGKSA-N 0 0 300.362 0.881 10 0 DCAERN CC[C@@H](C(=O)N1CCOCC1)N1C(=O)N2CCC[C@]2(C)C1=O ZINC000330301609 546057039 /nfs/dbraw/zinc/05/70/39/546057039.db2.gz NXIRIQVXJYCOIJ-XHDPSFHLSA-N 0 0 309.366 0.441 10 0 DCAERN CN(C)c1nccc(CNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)n1 ZINC000332854696 546063146 /nfs/dbraw/zinc/06/31/46/546063146.db2.gz QDAVPHZUHKIKLV-KGYLQXTDSA-N 0 0 306.366 0.210 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000333414283 546080981 /nfs/dbraw/zinc/08/09/81/546080981.db2.gz DRHBEBUEKBDDSJ-UMVBOHGHSA-N 0 0 322.409 0.023 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000333543892 546083855 /nfs/dbraw/zinc/08/38/55/546083855.db2.gz ORADWSCVRULMBY-WDEREUQCSA-N 0 0 301.368 0.254 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1=O ZINC000333554556 546084761 /nfs/dbraw/zinc/08/47/61/546084761.db2.gz VDWBYTJJPFFWFJ-IZXSPOQTSA-N 0 0 303.362 0.994 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCC(=O)N1 ZINC000333602714 546086676 /nfs/dbraw/zinc/08/66/76/546086676.db2.gz CZGLBGWQGRZYHV-WQVCFCJDSA-N 0 0 309.410 0.992 10 0 DCAERN O=C1N[C@@H](CC2CC2)C(=O)N1Cc1ncc2c(n1)CCOC2 ZINC000348369719 546153784 /nfs/dbraw/zinc/15/37/84/546153784.db2.gz QQGQMHBCNNWZLI-LBPRGKRZSA-N 0 0 302.334 0.770 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(N)c2)C1 ZINC000402871386 546227333 /nfs/dbraw/zinc/22/73/33/546227333.db2.gz AWDSRJTWDSDMGZ-ZDUSSCGKSA-N 0 0 300.380 0.431 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000405267429 546228405 /nfs/dbraw/zinc/22/84/05/546228405.db2.gz MQQKBWGEYIZPNY-NWDGAFQWSA-N 0 0 316.448 0.804 10 0 DCAERN CC(C)Cn1ncnc1CN1CC[C@](O)(Cn2ccnn2)C1 ZINC000671550802 547244609 /nfs/dbraw/zinc/24/46/09/547244609.db2.gz HIVPDIABJQHHBH-CQSZACIVSA-N 0 0 305.386 0.163 10 0 DCAERN CNS(=O)(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000725272200 548750052 /nfs/dbraw/zinc/75/00/52/548750052.db2.gz ACARLMXLBFQECW-UHFFFAOYSA-N 0 0 316.383 0.542 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000248708647 660630332 /nfs/dbraw/zinc/63/03/32/660630332.db2.gz IBWCNBWGCNFLRO-SRVKXCTJSA-N 0 0 304.412 0.294 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2ccnn2C)cn1 ZINC000888095229 661165462 /nfs/dbraw/zinc/16/54/62/661165462.db2.gz UOZXLAJIKXRRPW-UONOGXRCSA-N 0 0 303.366 0.812 10 0 DCAERN CC(C)N1C(=S)N=NC1CNC(=O)c1cc(C(N)=O)cn1C ZINC000153485354 665426816 /nfs/dbraw/zinc/42/68/16/665426816.db2.gz KFCDTUBTPDQTHM-UHFFFAOYSA-N 0 0 322.394 0.515 10 0 DCAERN CC(C)CO[C@H]1C[C@H](OC(=O)Cn2ncn(C)c2=O)C1(C)C ZINC000180368658 665436534 /nfs/dbraw/zinc/43/65/34/665436534.db2.gz STKVLRRYWBWVLD-RYUDHWBXSA-N 0 0 311.382 0.965 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCN1CCOC(C)(C)C1 ZINC000741085264 667758845 /nfs/dbraw/zinc/75/88/45/667758845.db2.gz NXUUIZHWZRQORV-HXUWFJFHSA-N 0 0 305.444 0.165 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)C[C@H](C(N)=O)O1 ZINC000255369281 657512583 /nfs/dbraw/zinc/51/25/83/657512583.db2.gz XVCKHXDHXADSIQ-FZJVHEGESA-N 0 0 310.375 0.562 10 0 DCAERN C=CCNC(=O)CN1CCN(CC(=C)Br)CC1 ZINC000052439844 657584066 /nfs/dbraw/zinc/58/40/66/657584066.db2.gz UQFSVCCFVGNBQM-UHFFFAOYSA-N 0 0 302.216 0.815 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000178227037 657591193 /nfs/dbraw/zinc/59/11/93/657591193.db2.gz LYXJRRDVMXAQLL-JTQLQIEISA-N 0 0 302.400 0.631 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2c(F)cccc2F)CCC1 ZINC000721535714 657599683 /nfs/dbraw/zinc/59/96/83/657599683.db2.gz MUWZUHYUIAUKCJ-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cc(F)cc(F)c2)CCC1 ZINC000721535875 657600095 /nfs/dbraw/zinc/60/00/95/657600095.db2.gz ORIRYAJYCNKCQG-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC2(CCC2)CC1 ZINC000308705064 657848397 /nfs/dbraw/zinc/84/83/97/657848397.db2.gz YLDRCCQFUMFDKC-GFCCVEGCSA-N 0 0 300.424 0.556 10 0 DCAERN CCc1cnc(CCNC(=O)NCCS(=O)(=O)CC)s1 ZINC000176033892 657867776 /nfs/dbraw/zinc/86/77/76/657867776.db2.gz KNTPKSQTGYXSAO-UHFFFAOYSA-N 0 0 319.452 0.982 10 0 DCAERN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN(C)[C@H](C)CO)c1 ZINC000255585538 657972234 /nfs/dbraw/zinc/97/22/34/657972234.db2.gz IVYUWVIXOARTDK-CQSZACIVSA-N 0 0 316.405 0.913 10 0 DCAERN CN(C(=O)C[C@H]1CNCCS1(=O)=O)C1CCCCCC1 ZINC000725016360 658021286 /nfs/dbraw/zinc/02/12/86/658021286.db2.gz FURWCXOZTXRUGN-ZDUSSCGKSA-N 0 0 302.440 0.944 10 0 DCAERN CCC[C@@H](OC)c1noc(C[C@@H]2CNCCS2(=O)=O)n1 ZINC000725016367 658021475 /nfs/dbraw/zinc/02/14/75/658021475.db2.gz PWXJZWKXHWHAMX-NXEZZACHSA-N 0 0 303.384 0.486 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@@H](O)C[C@]1(C)CO ZINC000725118059 658149296 /nfs/dbraw/zinc/14/92/96/658149296.db2.gz PZOOOXNZIGRZHB-CMPLNLGQSA-N 0 0 305.421 0.871 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@@H](O)C[C@@]1(C)CO ZINC000725118060 658149732 /nfs/dbraw/zinc/14/97/32/658149732.db2.gz PZOOOXNZIGRZHB-JQWIXIFHSA-N 0 0 305.421 0.871 10 0 DCAERN CCOCCCNC(=S)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724334004 658191154 /nfs/dbraw/zinc/19/11/54/658191154.db2.gz CCXNXKPINAJMRH-YOGCLGLASA-N 0 0 320.480 0.985 10 0 DCAERN C/C(=C/C(=O)NNC(=O)[C@@H]1COCCO1)c1cccc(F)c1 ZINC000073985158 658196299 /nfs/dbraw/zinc/19/62/99/658196299.db2.gz BTIRHCYROIBRNB-SZNGSJQDSA-N 0 0 308.309 0.792 10 0 DCAERN CN1CCO[C@@H](CNc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000892139525 658218964 /nfs/dbraw/zinc/21/89/64/658218964.db2.gz BCPGDPAEIHIDLK-QMMMGPOBSA-N 0 0 320.802 0.125 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000276003756 658277455 /nfs/dbraw/zinc/27/74/55/658277455.db2.gz OYJWONNNRWKXCO-UHFFFAOYSA-N 0 0 318.420 0.256 10 0 DCAERN COCCCOC1CN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000091221871 658418079 /nfs/dbraw/zinc/41/80/79/658418079.db2.gz HKXADSYCYZFRKI-NRFANRHFSA-N 0 0 320.455 0.981 10 0 DCAERN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(F)c1 ZINC000724547498 658444453 /nfs/dbraw/zinc/44/44/53/658444453.db2.gz PDNHTQYHVSKIDN-CDMKHQONSA-N 0 0 301.339 0.908 10 0 DCAERN CCCn1cc(NC(=O)Nc2cnn(CC(=O)NC)c2)cn1 ZINC000179446275 658498303 /nfs/dbraw/zinc/49/83/03/658498303.db2.gz LLVKRQNRVMKCBC-UHFFFAOYSA-N 0 0 305.342 0.880 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(Cn2nc3cnccn3c2=O)C1 ZINC000179484271 658508139 /nfs/dbraw/zinc/50/81/39/658508139.db2.gz YMZHCULUEKCGDR-LLVKDONJSA-N 0 0 319.365 0.512 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2noc(C)n2)C1=O ZINC000888076481 658713429 /nfs/dbraw/zinc/71/34/29/658713429.db2.gz NYBMZBNMRCGVLM-LLVKDONJSA-N 0 0 310.354 0.364 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2c(C)nn(C)c2C)C1=O ZINC000888076590 658713519 /nfs/dbraw/zinc/71/35/19/658713519.db2.gz WWQMRNAPYXTRLV-CQSZACIVSA-N 0 0 322.409 0.681 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@](O)(Cc3nncn3C)C2)[nH]1 ZINC000888077756 658720401 /nfs/dbraw/zinc/72/04/01/658720401.db2.gz SMCDAMKEFPWXCA-HNNXBMFYSA-N 0 0 319.413 0.626 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1CC1(Cl)Cl ZINC000725760736 658769864 /nfs/dbraw/zinc/76/98/64/658769864.db2.gz KQEYWLITCCYGKB-QMMMGPOBSA-N 0 0 315.222 0.722 10 0 DCAERN Nc1nc(Cl)cc(NCCCN2CCCS2(=O)=O)n1 ZINC000725790738 658907869 /nfs/dbraw/zinc/90/78/69/658907869.db2.gz CDJURJQVDVPPPM-UHFFFAOYSA-N 0 0 305.791 0.550 10 0 DCAERN O=C(NCCCF)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000181554210 665614612 /nfs/dbraw/zinc/61/46/12/665614612.db2.gz XHNNLUYZLUOPCN-NWDGAFQWSA-N 0 0 315.301 0.648 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)N1CCc2ccccc21 ZINC000180267734 658967746 /nfs/dbraw/zinc/96/77/46/658967746.db2.gz CNPGVZHQSZYCNF-SMDDNHRTSA-N 0 0 303.362 0.150 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCc2ccc(C(N)=O)nc2)[nH]1 ZINC000436171647 659060326 /nfs/dbraw/zinc/06/03/26/659060326.db2.gz MDCLCWATSZGJIZ-UHFFFAOYSA-N 0 0 310.317 0.690 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NCCc1c(C)nn(C)c1C ZINC000069693710 665650972 /nfs/dbraw/zinc/65/09/72/665650972.db2.gz AAQJLOMWEUWXBC-UHFFFAOYSA-N 0 0 316.427 0.313 10 0 DCAERN Cc1nc(Cl)sc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000085729833 659282497 /nfs/dbraw/zinc/28/24/97/659282497.db2.gz GBEAPXXMRKGJNR-UHFFFAOYSA-N 0 0 314.754 0.755 10 0 DCAERN Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000189337546 659362221 /nfs/dbraw/zinc/36/22/21/659362221.db2.gz ZXDJAJVTUDPWLW-UHFFFAOYSA-N 0 0 313.340 0.981 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(OC)s2)C[C@H]1C ZINC000312572580 659364860 /nfs/dbraw/zinc/36/48/60/659364860.db2.gz OQHWUOKFJGIUAD-SFYZADRCSA-N 0 0 320.392 0.581 10 0 DCAERN COc1ccc([C@H](C)NS(=O)(=O)C2C[NH2+]C2)cc1OC ZINC000722225697 659386417 /nfs/dbraw/zinc/38/64/17/659386417.db2.gz RLHGJRVJWLLOHQ-VIFPVBQESA-N 0 0 300.380 0.656 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000311903098 659390978 /nfs/dbraw/zinc/39/09/78/659390978.db2.gz ASNYPXOJQGXRFH-NSHDSACASA-N 0 0 304.133 0.451 10 0 DCAERN CC(=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000123833448 659427302 /nfs/dbraw/zinc/42/73/02/659427302.db2.gz LKYJWJFAHJDWHP-UHFFFAOYSA-N 0 0 311.407 0.435 10 0 DCAERN Cc1cc(COCC(=O)N(CCS(C)(=O)=O)C(C)C)on1 ZINC000193804973 659461765 /nfs/dbraw/zinc/46/17/65/659461765.db2.gz SLHWGJJKZYBEBP-UHFFFAOYSA-N 0 0 318.395 0.781 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N1C[C@H](O)[C@@H](O)C1 ZINC000311300876 659479860 /nfs/dbraw/zinc/47/98/60/659479860.db2.gz VWPGWJIXOPLIGR-YGABWQLJSA-N 0 0 303.767 0.678 10 0 DCAERN Cn1cc(/C=C\C(=O)OCC[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000299735521 659618884 /nfs/dbraw/zinc/61/88/84/659618884.db2.gz YSPVEDMBRNYEOY-FOQNGQEVSA-N 0 0 308.334 0.210 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCC[C@@H]2C(=O)N(C)C)[nH]1 ZINC000333275130 659778097 /nfs/dbraw/zinc/77/80/97/659778097.db2.gz OHHUTXNPZWJRDG-LLVKDONJSA-N 0 0 301.350 0.959 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000124852778 659789179 /nfs/dbraw/zinc/78/91/79/659789179.db2.gz ZMLMFHGGCFURAQ-CYBMUJFWSA-N 0 0 310.394 0.999 10 0 DCAERN O=C1[C@H](N2CCO[C@@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063919 659808790 /nfs/dbraw/zinc/80/87/90/659808790.db2.gz KKCUPLSZGPVHDZ-WBVHZDCISA-N 0 0 324.421 0.648 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000726770967 661667636 /nfs/dbraw/zinc/66/76/36/661667636.db2.gz RKNCWSDTCRATDU-UHFFFAOYSA-N 0 0 301.350 0.798 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCO[C@H](c3cnn(C)c3)C2)n1 ZINC000333401521 661864693 /nfs/dbraw/zinc/86/46/93/661864693.db2.gz FMZJDKWUIFPXQC-ZDUSSCGKSA-N 0 0 313.365 0.983 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cc2c(cc1N)OCO2 ZINC000429572284 662165089 /nfs/dbraw/zinc/16/50/89/662165089.db2.gz GXHZRHNVUFQDRD-SNVBAGLBSA-N 0 0 309.347 0.857 10 0 DCAERN Cc1cc(N2CCOC[C@@H]2CO)n2nc(C(F)(F)F)nc2n1 ZINC000895936221 662231045 /nfs/dbraw/zinc/23/10/45/662231045.db2.gz QPSKQAMTPQIFLZ-QMMMGPOBSA-N 0 0 317.271 0.649 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)Cc1ccncc1 ZINC000357015159 665848073 /nfs/dbraw/zinc/84/80/73/665848073.db2.gz OLHHXNSLFSDMEK-STQMWFEESA-N 0 0 309.391 0.023 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCN1CCOCC1(C)C ZINC000728282711 662374319 /nfs/dbraw/zinc/37/43/19/662374319.db2.gz SKRIKYKVECUMEW-GFCCVEGCSA-N 0 0 315.439 0.135 10 0 DCAERN CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCCCNC1=O ZINC000728704460 662411976 /nfs/dbraw/zinc/41/19/76/662411976.db2.gz KLMIQMXLDDOCGI-GFCCVEGCSA-N 0 0 320.393 0.948 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000728703917 662412871 /nfs/dbraw/zinc/41/28/71/662412871.db2.gz SMARJJALCJUHQH-UHFFFAOYSA-N 0 0 314.363 0.278 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000341557014 662415583 /nfs/dbraw/zinc/41/55/83/662415583.db2.gz NXBSQYFNCCUKLA-GFCCVEGCSA-N 0 0 323.374 0.411 10 0 DCAERN FC(F)n1ccnc1CN1CCN(CC2OCCO2)CC1 ZINC000182683114 665878172 /nfs/dbraw/zinc/87/81/72/665878172.db2.gz OZEXZZFLGPGRTL-UHFFFAOYSA-N 0 0 302.325 0.769 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC(F)(F)CN1 ZINC000263086868 662627199 /nfs/dbraw/zinc/62/71/99/662627199.db2.gz YBJWEQZEBPTAQK-GHMZBOCLSA-N 0 0 311.336 0.559 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000040691961 663043050 /nfs/dbraw/zinc/04/30/50/663043050.db2.gz NRUHERDFPPPUDI-SECBINFHSA-N 0 0 306.819 0.836 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000346514658 663205954 /nfs/dbraw/zinc/20/59/54/663205954.db2.gz PVKHHPPTUFXGPF-RNFRBKRXSA-N 0 0 319.155 0.657 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@H](Cc3ccccc3)C2)nn1 ZINC000182954677 665940380 /nfs/dbraw/zinc/94/03/80/665940380.db2.gz LHTGUULTCHIFQS-CQSZACIVSA-N 0 0 316.361 0.966 10 0 DCAERN CS(=O)(=O)N1CC(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000900712660 663274481 /nfs/dbraw/zinc/27/44/81/663274481.db2.gz VNWGFOUGXZDYQM-GFCCVEGCSA-N 0 0 312.395 0.355 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912187515 664147255 /nfs/dbraw/zinc/14/72/55/664147255.db2.gz JIWOAHDQACTONE-ZIAGYGMSSA-N 0 0 308.378 0.330 10 0 DCAERN COc1cc(C(=O)N2CCOC[C@H]2CO)cc2c1O[C@@H](C)C2 ZINC000912425967 664174866 /nfs/dbraw/zinc/17/48/66/664174866.db2.gz AGMZMEIJZJJLPT-GXFFZTMASA-N 0 0 307.346 0.852 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3CO)CC2=O)cc1 ZINC000912428063 664175438 /nfs/dbraw/zinc/17/54/38/664175438.db2.gz SGAZWUCHKVGHBP-DZGCQCFKSA-N 0 0 318.373 0.568 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC000913084791 664266911 /nfs/dbraw/zinc/26/69/11/664266911.db2.gz HFIWZTVQAGHVCW-OUCADQQQSA-N 0 0 320.393 0.509 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1cc(=O)[nH]cn1 ZINC000222923612 664393444 /nfs/dbraw/zinc/39/34/44/664393444.db2.gz LZXMVNAJWQZLRG-SNVBAGLBSA-N 0 0 303.322 0.585 10 0 DCAERN C[C@]1(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CCCS1 ZINC000156922943 664395095 /nfs/dbraw/zinc/39/50/95/664395095.db2.gz MSRMCZRMBNZUIJ-CMPLNLGQSA-N 0 0 306.453 0.165 10 0 DCAERN CON(C)C(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223370785 664408047 /nfs/dbraw/zinc/40/80/47/664408047.db2.gz VVTHVMMSPQQXQJ-LLVKDONJSA-N 0 0 306.318 0.926 10 0 DCAERN C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223359255 664408052 /nfs/dbraw/zinc/40/80/52/664408052.db2.gz ZTPZCUZVNDTNFT-PWSUYJOCSA-N 0 0 320.345 0.403 10 0 DCAERN Cc1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)on1 ZINC000223613080 664417487 /nfs/dbraw/zinc/41/74/87/664417487.db2.gz PUHSXPXJULAVHB-UHFFFAOYSA-N 0 0 323.393 0.842 10 0 DCAERN Cc1cc2c(nc(N(C)C)nc2NCC(=O)N2CCOCC2)[nH]1 ZINC000223898340 664425903 /nfs/dbraw/zinc/42/59/03/664425903.db2.gz NSCOWUVAENBBDU-UHFFFAOYSA-N 0 0 318.381 0.603 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1cccc(OC)c1O ZINC000225274437 664471128 /nfs/dbraw/zinc/47/11/28/664471128.db2.gz ZXJFNIRMXHDJKD-UHFFFAOYSA-N 0 0 302.352 0.070 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226570266 664516742 /nfs/dbraw/zinc/51/67/42/664516742.db2.gz JGYUDUZEDFPWIG-AVGNSLFASA-N 0 0 300.424 0.554 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1CCOC[C@@H]1CO ZINC000168203889 664521123 /nfs/dbraw/zinc/52/11/23/664521123.db2.gz GPGZUUCMXCFXAL-VIFPVBQESA-N 0 0 316.151 0.988 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCOC[C@@H]1CO ZINC000168506147 664524784 /nfs/dbraw/zinc/52/47/84/664524784.db2.gz OXQLGYNFKXGLQP-JTQLQIEISA-N 0 0 308.359 0.564 10 0 DCAERN COC(=O)N[C@H]1CCN(C(=O)c2ccc(C(N)=S)cc2)C1 ZINC000228262134 664552604 /nfs/dbraw/zinc/55/26/04/664552604.db2.gz LOZJWASZWSAGCT-NSHDSACASA-N 0 0 307.375 0.891 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@H](C)[C@@H](C(=O)OC)C2)c1 ZINC000228790179 664576827 /nfs/dbraw/zinc/57/68/27/664576827.db2.gz XHKUHDBSJRDWRH-UWVGGRQHSA-N 0 0 301.368 0.333 10 0 DCAERN CCOC(=O)c1cn(CN2CC[C@H](N3CCOCC3)C2)nc1C ZINC000172962409 664626231 /nfs/dbraw/zinc/62/62/31/664626231.db2.gz FLXFVCRLBYKCPM-AWEZNQCLSA-N 0 0 322.409 0.732 10 0 DCAERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)CCS(C)(=O)=O ZINC000173157400 664627194 /nfs/dbraw/zinc/62/71/94/664627194.db2.gz YIZKFSJMFBNGRC-NSHDSACASA-N 0 0 320.436 0.839 10 0 DCAERN C=CCNC(=O)NC(=O)COC(=O)c1c(O)cc(F)cc1F ZINC000063543560 664630473 /nfs/dbraw/zinc/63/04/73/664630473.db2.gz VVDVMPOTTDLALC-UHFFFAOYSA-N 0 0 314.244 0.839 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCC2(C1)OCCO2 ZINC000173839813 664632582 /nfs/dbraw/zinc/63/25/82/664632582.db2.gz SOEFLCRCDCEJST-UHFFFAOYSA-N 0 0 306.366 0.806 10 0 DCAERN C[C@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000063783326 664635108 /nfs/dbraw/zinc/63/51/08/664635108.db2.gz JFPLMLIEJRWJFC-GZMMTYOYSA-N 0 0 316.354 0.770 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCC[C@@H](C)C1 ZINC000730307269 664681939 /nfs/dbraw/zinc/68/19/39/664681939.db2.gz BEWZLAAVQORAIK-PWSUYJOCSA-N 0 0 314.407 0.710 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(Cn3ncn(C)c3=S)CC2)n1 ZINC000152641726 664767452 /nfs/dbraw/zinc/76/74/52/664767452.db2.gz MSKHJFLTFNBOAR-SNVBAGLBSA-N 0 0 323.426 0.979 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CN3CCOC3=S)CC2)n1 ZINC000152641625 664767458 /nfs/dbraw/zinc/76/74/58/664767458.db2.gz BBZSQULFMOXLSX-JTQLQIEISA-N 0 0 311.411 0.631 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000152683581 664769122 /nfs/dbraw/zinc/76/91/22/664769122.db2.gz ZUARKFANYHPUBR-UHFFFAOYSA-N 0 0 310.329 0.532 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000152949098 664779515 /nfs/dbraw/zinc/77/95/15/664779515.db2.gz NSWRIUZJXROTKB-GFCCVEGCSA-N 0 0 304.354 0.864 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)Cc2ccc(C)s2)CC1 ZINC000064191214 664781474 /nfs/dbraw/zinc/78/14/74/664781474.db2.gz NQNSXVFMGFYRDV-UHFFFAOYSA-N 0 0 324.402 0.833 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000741417558 664833939 /nfs/dbraw/zinc/83/39/39/664833939.db2.gz KNNLVTQMFIRXNC-OAQYLSRUSA-N 0 0 311.407 0.865 10 0 DCAERN CN(C)c1cc(C(=O)NCCCS(N)(=O)=O)cc(Cl)n1 ZINC000733136158 665076826 /nfs/dbraw/zinc/07/68/26/665076826.db2.gz UFLQMVMKFUTNFI-UHFFFAOYSA-N 0 0 320.802 0.209 10 0 DCAERN CCCOCC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175179637 665315537 /nfs/dbraw/zinc/31/55/37/665315537.db2.gz JWIYNLXKBOXLST-UHFFFAOYSA-N 0 0 312.410 0.901 10 0 DCAERN CO[C@@H](C)CC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175180684 665315552 /nfs/dbraw/zinc/31/55/52/665315552.db2.gz JTILUAJYESHECV-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)NCCCn1ccnn1 ZINC000183545654 666067805 /nfs/dbraw/zinc/06/78/05/666067805.db2.gz GDMYQIXPZOMDDW-UHFFFAOYSA-N 0 0 311.777 0.897 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)NCCCn2ccnn2)cc1 ZINC000183571428 666069730 /nfs/dbraw/zinc/06/97/30/666069730.db2.gz HFGMNXLYDYTSES-CQSZACIVSA-N 0 0 319.365 0.710 10 0 DCAERN O=C1C[C@H](c2ccccn2)CN1CN1CCO[C@]2(CCOC2)C1 ZINC000184281995 666193697 /nfs/dbraw/zinc/19/36/97/666193697.db2.gz LMZVLGGIVXTZKR-WMLDXEAASA-N 0 0 317.389 0.846 10 0 DCAERN CCOC(=O)[C@]1(C)CC(=O)N(CN2CCC([C@@H](C)O)CC2)C1 ZINC000184874459 666297023 /nfs/dbraw/zinc/29/70/23/666297023.db2.gz MOUFQAKGYZATSS-MLGOLLRUSA-N 0 0 312.410 0.838 10 0 DCAERN O=C(Cc1ccoc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000185106367 666334216 /nfs/dbraw/zinc/33/42/16/666334216.db2.gz QJDLQDVOGDSFEQ-UKRRQHHQSA-N 0 0 320.301 0.941 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(OCCCOC)nc1 ZINC000733881118 666823618 /nfs/dbraw/zinc/82/36/18/666823618.db2.gz ZJNMGOTUKZSFGZ-OAQYLSRUSA-N 0 0 314.407 0.995 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000733961428 666832367 /nfs/dbraw/zinc/83/23/67/666832367.db2.gz TVEVDSAYAFKNLW-VQXVYSPMSA-N 0 0 314.329 0.328 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000733960590 666832378 /nfs/dbraw/zinc/83/23/78/666832378.db2.gz JIBIYQPRASJLHK-QFIPXVFZSA-N 0 0 324.402 0.687 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)NCC[S@](=O)CC)cc1 ZINC000733964728 666832968 /nfs/dbraw/zinc/83/29/68/666832968.db2.gz UOUMVTCPMAAQKM-OAQYLSRUSA-N 0 0 308.403 0.987 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000735112290 666954671 /nfs/dbraw/zinc/95/46/71/666954671.db2.gz UAWRCSKAGAUWCA-YUNKPMOVSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)c1cccc(OC)c1 ZINC000735110913 666954462 /nfs/dbraw/zinc/95/44/62/666954462.db2.gz OPAIVLASRAYRPW-YEJXKQKISA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000735112327 666954658 /nfs/dbraw/zinc/95/46/58/666954658.db2.gz URIPGXSJODCZAZ-YPMLDQLKSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(Cc2ccco2)CC1 ZINC000735110749 666954683 /nfs/dbraw/zinc/95/46/83/666954683.db2.gz LAOWVMIIBOCPCH-OAQYLSRUSA-N 0 0 313.423 0.875 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000735112520 666954736 /nfs/dbraw/zinc/95/47/36/666954736.db2.gz QJIFWFAVUVVFBG-ASSNKEHSSA-N 0 0 319.471 0.411 10 0 DCAERN CNC(=O)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000118978275 667051304 /nfs/dbraw/zinc/05/13/04/667051304.db2.gz IVYGVBCUWGJAJK-FZMZJTMJSA-N 0 0 308.309 0.634 10 0 DCAERN COCc1nn(CN2CCC(c3ccnn3C)CC2)c(=O)o1 ZINC000119730476 667197675 /nfs/dbraw/zinc/19/76/75/667197675.db2.gz FQQRRNKGPVAOBC-UHFFFAOYSA-N 0 0 307.354 0.553 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1CCSC1 ZINC000704895932 667268151 /nfs/dbraw/zinc/26/81/51/667268151.db2.gz HRIAKCVGDMGJSD-SNVBAGLBSA-N 0 0 310.441 0.459 10 0 DCAERN O=S(=O)(CCN1C[C@H](CO)[C@H](CO)C1)C1CCCCC1 ZINC000705337114 667305402 /nfs/dbraw/zinc/30/54/02/667305402.db2.gz SAHWJQQJDKTITC-BETUJISGSA-N 0 0 305.440 0.267 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000705620071 667351847 /nfs/dbraw/zinc/35/18/47/667351847.db2.gz HDJPKCDOTQNVPZ-VHSXEESVSA-N 0 0 308.400 0.560 10 0 DCAERN C[C@H](C(=O)NCCC1SCCS1)N1CCNCC1=O ZINC000705736032 667370250 /nfs/dbraw/zinc/37/02/50/667370250.db2.gz JRWFYKOWNAMPQW-SECBINFHSA-N 0 0 303.453 0.119 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000121611625 667405086 /nfs/dbraw/zinc/40/50/86/667405086.db2.gz REMZADWBMLWOSV-CQSZACIVSA-N 0 0 307.375 0.823 10 0 DCAERN Cc1cccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c1O ZINC000708261739 667442482 /nfs/dbraw/zinc/44/24/82/667442482.db2.gz DDIUFLWGBYNDGU-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN CC1(C)CC(=O)NCCN1S(=O)(=O)c1cncc(F)c1 ZINC000708143510 667441994 /nfs/dbraw/zinc/44/19/94/667441994.db2.gz BOSQFWBFNBDAAZ-UHFFFAOYSA-N 0 0 301.343 0.510 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1cccnc1F ZINC000709500769 667445045 /nfs/dbraw/zinc/44/50/45/667445045.db2.gz CWFRTVSXFIARFE-JTQLQIEISA-N 0 0 303.359 0.172 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)nn1 ZINC000711709114 667532073 /nfs/dbraw/zinc/53/20/73/667532073.db2.gz IRLBWZRYEIOFGW-SECBINFHSA-N 0 0 311.285 0.473 10 0 DCAERN CC(=O)CCN(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000135588207 667612908 /nfs/dbraw/zinc/61/29/08/667612908.db2.gz JAFAALFWKQDMMZ-UHFFFAOYSA-N 0 0 303.318 0.127 10 0 DCAERN COc1ccnc(N2CCC[C@](O)(Cc3nc(C)no3)C2)n1 ZINC000886027151 667725465 /nfs/dbraw/zinc/72/54/65/667725465.db2.gz JUDYALBRIJCPNL-AWEZNQCLSA-N 0 0 305.338 0.751 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886031720 667726240 /nfs/dbraw/zinc/72/62/40/667726240.db2.gz PDBGLGUVBKTBTD-BDAKNGLRSA-N 0 0 302.318 0.868 10 0 DCAERN COc1nc(C)nc(N2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)c1C ZINC000886038287 667726503 /nfs/dbraw/zinc/72/65/03/667726503.db2.gz PXCYRGVVSNBART-ZIAGYGMSSA-N 0 0 320.393 0.928 10 0 DCAERN CO[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1c1cn(C)nn1 ZINC000886071867 667728727 /nfs/dbraw/zinc/72/87/27/667728727.db2.gz FRNZWCPQNDONPJ-CMPLNLGQSA-N 0 0 320.401 0.171 10 0 DCAERN COCCN1CN(C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1=O ZINC000886078134 667729711 /nfs/dbraw/zinc/72/97/11/667729711.db2.gz NATHMIPCAJENPG-OCCSQVGLSA-N 0 0 322.365 0.152 10 0 DCAERN CCc1ncnc(N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1F ZINC000886079907 667729767 /nfs/dbraw/zinc/72/97/67/667729767.db2.gz BZOUMZLPLWTQFN-JOYOIKCWSA-N 0 0 306.345 0.925 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)Nc1nccn1CC(C)C)N(C)C2 ZINC000886082284 667729987 /nfs/dbraw/zinc/72/99/87/667729987.db2.gz SIEVTKOXOZDVKG-LBPRGKRZSA-N 0 0 317.397 0.892 10 0 DCAERN CC1(C)C(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)C1(C)C ZINC000886096374 667731772 /nfs/dbraw/zinc/73/17/72/667731772.db2.gz CSZWHPJPKMTIEO-QGZVFWFLSA-N 0 0 323.437 0.457 10 0 DCAERN O=C(NCCCc1cccc(F)c1)C1=NN(CCO)C(=O)CC1 ZINC000137018707 667734157 /nfs/dbraw/zinc/73/41/57/667734157.db2.gz IGLQEHILALAXSW-UHFFFAOYSA-N 0 0 321.352 0.845 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000741089175 667758627 /nfs/dbraw/zinc/75/86/27/667758627.db2.gz MMDQFUDEHFGZSS-ZSMADZGOSA-N 0 0 317.455 0.701 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(CC[S@](C)=O)CC2)n1 ZINC000741305619 667767073 /nfs/dbraw/zinc/76/70/73/667767073.db2.gz ZSQMPCPUOISCIZ-NRFANRHFSA-N 0 0 312.439 0.023 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000741419930 667770407 /nfs/dbraw/zinc/77/04/07/667770407.db2.gz FFKHFIZTELOWMC-LJQANCHMSA-N 0 0 318.420 0.980 10 0 DCAERN C[S@@](=O)CCN1CCN(C(=O)Cc2cccs2)CC1 ZINC000742182071 667782433 /nfs/dbraw/zinc/78/24/33/667782433.db2.gz ISKRAKXBEFNQMC-LJQANCHMSA-N 0 0 300.449 0.813 10 0 DCAERN N=C1NC(=O)C(CC(=O)NCC(=O)NC2CCCCC2)S1 ZINC000742594586 667794542 /nfs/dbraw/zinc/79/45/42/667794542.db2.gz CNGDVGBETXFIAP-SECBINFHSA-N 0 0 312.395 0.108 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H](CO)C1CCC1 ZINC000717596219 667868960 /nfs/dbraw/zinc/86/89/60/667868960.db2.gz TWFAIWQTYHRAKF-WDEREUQCSA-N 0 0 307.437 0.184 10 0 DCAERN O=C1CC[C@H]2CN(S(=O)(=O)c3ccns3)CC[C@H]2N1 ZINC000717687093 667876054 /nfs/dbraw/zinc/87/60/54/667876054.db2.gz FQXCKHQZFNVOEW-DTWKUNHWSA-N 0 0 301.393 0.432 10 0 DCAERN O=S(=O)(c1ccns1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000717803471 667985395 /nfs/dbraw/zinc/98/53/95/667985395.db2.gz YHLIXNZSGZQDEC-NKWVEPMBSA-N 0 0 316.326 0.934 10 0 DCAERN CCN(Cc1ccccn1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126868821 668672426 /nfs/dbraw/zinc/67/24/26/668672426.db2.gz SLOMOYGSVONASQ-CYBMUJFWSA-N 0 0 311.407 0.207 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000127418357 668952896 /nfs/dbraw/zinc/95/28/96/668952896.db2.gz SWCDICLXHRUYMI-ZDUSSCGKSA-N 0 0 305.309 0.727 10 0 DCAERN CC[C@H]1CN(CN2CC(=O)N(CC)C2=O)CCN1CC(F)F ZINC000129302907 669406981 /nfs/dbraw/zinc/40/69/81/669406981.db2.gz JQHGFWKWDNQUBF-NSHDSACASA-N 0 0 318.368 0.889 10 0 DCAERN Cc1nc2[nH]cnn2c(=O)c1CCOC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000130321783 669615664 /nfs/dbraw/zinc/61/56/64/669615664.db2.gz KPIRUMBRZDUONK-NWDGAFQWSA-N 0 0 302.334 0.858 10 0 DCAERN NC(=O)c1ccc(C(=O)Nc2cnc(Br)cn2)nc1 ZINC000132920487 669755516 /nfs/dbraw/zinc/75/55/16/669755516.db2.gz SPZNMEXXAOXRSC-UHFFFAOYSA-N 0 0 322.122 0.985 10 0 DCAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000717212518 669759479 /nfs/dbraw/zinc/75/94/79/669759479.db2.gz HPQDGUNIQMQXDS-BNDIWNMDSA-N 0 0 300.424 0.948 10 0 DCAERN CCCn1cc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)cn1 ZINC000794114531 669791693 /nfs/dbraw/zinc/79/16/93/669791693.db2.gz GILFUXGZJPOLRR-CQSZACIVSA-N 0 0 304.354 0.535 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000040334407 669820675 /nfs/dbraw/zinc/82/06/75/669820675.db2.gz LCCLYSKTYCIIDO-WDEREUQCSA-N 0 0 311.407 0.852 10 0 DCAERN C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000157350359 669921793 /nfs/dbraw/zinc/92/17/93/669921793.db2.gz JUWMNXYDSQURIM-YPMHNXCESA-N 0 0 304.346 0.761 10 0 DCAERN O=C(CCn1cncn1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000158973222 669931938 /nfs/dbraw/zinc/93/19/38/669931938.db2.gz BFGOIGMRHDDLJG-STQMWFEESA-N 0 0 320.349 0.612 10 0 DCAERN COC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000049062776 669945292 /nfs/dbraw/zinc/94/52/92/669945292.db2.gz VMICNSZRTMMQEE-NEPJUHHUSA-N 0 0 315.395 0.849 10 0 DCAERN COC(=O)c1cn(CN2CCN(Cc3cc(C)no3)CC2)nn1 ZINC000075666171 670040599 /nfs/dbraw/zinc/04/05/99/670040599.db2.gz ZVOFTURVVKARGV-UHFFFAOYSA-N 0 0 320.353 0.136 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCO[C@H](Cn3nc(C)cc3C)C2)C1 ZINC000189146354 670093460 /nfs/dbraw/zinc/09/34/60/670093460.db2.gz OERSETXTKLKARQ-CABCVRRESA-N 0 0 322.409 0.406 10 0 DCAERN CN(CCS(C)(=O)=O)S(=O)(=O)/C=C/c1ccccc1 ZINC000076387737 670123854 /nfs/dbraw/zinc/12/38/54/670123854.db2.gz OGPRIJJVLZZBMY-CSKARUKUSA-N 0 0 303.405 0.964 10 0 DCAERN Cn1nc(CN2CCC(C(=O)NCCO)CC2)cc1Cl ZINC000712681842 670149510 /nfs/dbraw/zinc/14/95/10/670149510.db2.gz XZCNQSXCYFHBCV-UHFFFAOYSA-N 0 0 300.790 0.394 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OCCN2CCCCC2=O)n1 ZINC000192432364 670164181 /nfs/dbraw/zinc/16/41/81/670164181.db2.gz ZZWRBCFHGQNMHT-UHFFFAOYSA-N 0 0 310.310 0.981 10 0 DCAERN Cn1cc(CN2CCN(C)S2(=O)=O)c(Br)n1 ZINC000713844204 670170043 /nfs/dbraw/zinc/17/00/43/670170043.db2.gz KKRJMFUOHKLIDY-UHFFFAOYSA-N 0 0 309.189 0.175 10 0 DCAERN CN(Cc1cn(C)nc1Br)C[C@H]1CN(C)CCO1 ZINC000713821822 670170438 /nfs/dbraw/zinc/17/04/38/670170438.db2.gz NGSOKACLYLXLHC-LLVKDONJSA-N 0 0 317.231 0.945 10 0 DCAERN C[C@@H]1CC(=O)NCCN1Cc1cn(C)nc1Br ZINC000713862341 670170734 /nfs/dbraw/zinc/17/07/34/670170734.db2.gz ATAXDLFYIRLMNW-MRVPVSSYSA-N 0 0 301.188 0.893 10 0 DCAERN Cn1cc(Cn2nnc3c(cnn3C)c2=O)c(Br)n1 ZINC000713851811 670171234 /nfs/dbraw/zinc/17/12/34/670171234.db2.gz HVLRTFHMUJTDCM-UHFFFAOYSA-N 0 0 324.142 0.069 10 0 DCAERN C[C@@H]1CN(Cc2cn(C)nc2Br)S(=O)(=O)C1 ZINC000713858133 670171245 /nfs/dbraw/zinc/17/12/45/670171245.db2.gz CSABKNSIVNDHTI-SSDOTTSWSA-N 0 0 308.201 0.964 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CSc2ccccc2)CC1 ZINC000713967942 670172866 /nfs/dbraw/zinc/17/28/66/670172866.db2.gz NEGZINBHSZVNAA-UHFFFAOYSA-N 0 0 300.405 0.716 10 0 DCAERN Cn1cc(CN2CC[C@@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082315 670177693 /nfs/dbraw/zinc/17/76/93/670177693.db2.gz NZWMEKASSGZKKA-VHSXEESVSA-N 0 0 304.188 0.358 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000714497245 670190390 /nfs/dbraw/zinc/19/03/90/670190390.db2.gz RFQBDRVASRFCDR-UHFFFAOYSA-N 0 0 305.117 0.748 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@@H]1COCCN1 ZINC000714942476 670196817 /nfs/dbraw/zinc/19/68/17/670196817.db2.gz FGISCRJCFOEEPF-LURJTMIESA-N 0 0 306.185 0.510 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@@H]2CSC(=O)N2)n1 ZINC000036815794 670197183 /nfs/dbraw/zinc/19/71/83/670197183.db2.gz HWNOCJLXBWYMOX-LURJTMIESA-N 0 0 301.349 0.622 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190258542 670403513 /nfs/dbraw/zinc/40/35/13/670403513.db2.gz DCMOKGOJDWIEBM-DTWKUNHWSA-N 0 0 318.337 0.597 10 0 DCAERN O=C(COC(=O)[C@@H]1CNC(=O)C1)N1CCCc2ccccc21 ZINC000194646563 670447319 /nfs/dbraw/zinc/44/73/19/670447319.db2.gz OOEKBCJFFRCEEG-LBPRGKRZSA-N 0 0 302.330 0.645 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)nc1 ZINC000194769456 670456195 /nfs/dbraw/zinc/45/61/95/670456195.db2.gz VDUFYJWEOXBDPK-LLVKDONJSA-N 0 0 314.773 0.550 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2nccc2-c2ccncc2)C1 ZINC000116869219 671132236 /nfs/dbraw/zinc/13/22/36/671132236.db2.gz WDQDTIZCCZFETF-CYBMUJFWSA-N 0 0 321.406 0.526 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892084 671136979 /nfs/dbraw/zinc/13/69/79/671136979.db2.gz QNBSDCMRYVAVCC-MFKMUULPSA-N 0 0 320.361 0.622 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Br)n1 ZINC000821492574 671281893 /nfs/dbraw/zinc/28/18/93/671281893.db2.gz TYYRVONBMKMDFN-LURJTMIESA-N 0 0 320.168 0.232 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000388935537 685256661 /nfs/dbraw/zinc/25/66/61/685256661.db2.gz MKBVBANHSRGCSM-ZJUUUORDSA-N 0 0 307.437 0.279 10 0 DCAERN CNC(=O)c1cc(NCc2nn(C)cc2Br)ccn1 ZINC000393337692 685263765 /nfs/dbraw/zinc/26/37/65/685263765.db2.gz MANUXLHQRQKMPL-UHFFFAOYSA-N 0 0 324.182 0.971 10 0 DCAERN Cn1cc(Br)c(CNC(=O)[C@@H]2CSC(=O)N2)n1 ZINC000393636759 685264913 /nfs/dbraw/zinc/26/49/13/685264913.db2.gz XKYAJWJYIUUPME-ZETCQYMHSA-N 0 0 319.184 0.624 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)C1 ZINC000719050380 685307763 /nfs/dbraw/zinc/30/77/63/685307763.db2.gz NRMZDJNPNRMZKV-VXGBXAGGSA-N 0 0 304.412 0.658 10 0 DCAERN O=C(NCc1cnc(Br)s1)[C@@H]1CNC(=O)C1 ZINC000718842455 685307169 /nfs/dbraw/zinc/30/71/69/685307169.db2.gz OTNGJVZZRPWANH-YFKPBYRVSA-N 0 0 304.169 0.658 10 0 DCAERN CNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CC1 ZINC000077613028 685081296 /nfs/dbraw/zinc/08/12/96/685081296.db2.gz MYGLXVYXGDGZEA-CVEARBPZSA-N 0 0 315.417 0.989 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)c1cccc(-n2cncn2)c1 ZINC000089386396 685097547 /nfs/dbraw/zinc/09/75/47/685097547.db2.gz KDQQOUHOJJSJPR-UHFFFAOYSA-N 0 0 322.390 0.774 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091238769 685104586 /nfs/dbraw/zinc/10/45/86/685104586.db2.gz MCNXJZVMVJOGKD-DTWKUNHWSA-N 0 0 324.768 0.834 10 0 DCAERN C#CCN(C(=O)N[C@@H](C)CCSC)[C@H]1CCS(=O)(=O)C1 ZINC000091222317 685104650 /nfs/dbraw/zinc/10/46/50/685104650.db2.gz IUFSZDDHIOPATF-RYUDHWBXSA-N 0 0 318.464 0.960 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)CC1CCCC1 ZINC000157867949 685136815 /nfs/dbraw/zinc/13/68/15/685136815.db2.gz XWOPLZXDNHATCC-CYBMUJFWSA-N 0 0 324.425 0.603 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247043382 685169491 /nfs/dbraw/zinc/16/94/91/685169491.db2.gz QANOGSPZQPVWDQ-TUAOUCFPSA-N 0 0 304.412 0.294 10 0 DCAERN CCC[C@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000247384686 685171686 /nfs/dbraw/zinc/17/16/86/685171686.db2.gz FWIMWJHYCFBDEE-NWDGAFQWSA-N 0 0 303.428 0.216 10 0 DCAERN C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000273063844 685193225 /nfs/dbraw/zinc/19/32/25/685193225.db2.gz JIZOEWAHSVSUTE-GJZGRUSLSA-N 0 0 306.410 0.842 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CCO[C@@]2(CCOC2)C1 ZINC000329579227 685219895 /nfs/dbraw/zinc/21/98/95/685219895.db2.gz PIFYDHGNNBZEPC-HNNXBMFYSA-N 0 0 300.318 0.656 10 0 DCAERN CC(C)(C)CCc1noc(C[C@@H]2CS(=O)(=O)CCN2)n1 ZINC000379669317 685235392 /nfs/dbraw/zinc/23/53/92/685235392.db2.gz CULFVVCAQKOPEM-SNVBAGLBSA-N 0 0 301.412 0.977 10 0 DCAERN CC[C@@H](NC(=O)c1cnn(C)c1Br)C(=O)OC ZINC000383129853 685241813 /nfs/dbraw/zinc/24/18/13/685241813.db2.gz VAIZDWDTHICQPO-SSDOTTSWSA-N 0 0 304.144 0.864 10 0 DCAERN CCOC(=O)c1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)on1 ZINC000398840851 1157375945 /nfs/dbraw/zinc/37/59/45/1157375945.db2.gz JIOZNSUARXDSHZ-SQFXPLBJSA-N 0 0 302.352 0.690 10 0 DCAERN CCC(=O)NC1CCN(S(=O)(=O)c2cccc(N)c2)CC1 ZINC000040329724 1157394546 /nfs/dbraw/zinc/39/45/46/1157394546.db2.gz XAGOBKGDNGTFTG-UHFFFAOYSA-N 0 0 311.407 0.948 10 0 DCAERN O=C(NCCNS(=O)(=O)c1c[nH]cn1)NC1CCCCC1 ZINC000585230287 1158110510 /nfs/dbraw/zinc/11/05/10/1158110510.db2.gz HFAFQCUGYZVPQV-UHFFFAOYSA-N 0 0 315.399 0.320 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1C(=O)c1c(Br)nnn1C ZINC000385645617 1158236092 /nfs/dbraw/zinc/23/60/92/1158236092.db2.gz DNQSFGPHTBXKQJ-SFYZADRCSA-N 0 0 317.187 0.811 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333014093 1158259652 /nfs/dbraw/zinc/25/96/52/1158259652.db2.gz BUAPRNWDURZDRY-SECBINFHSA-N 0 0 322.398 0.217 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCCOCCCO)cc1C ZINC000356842036 1159101450 /nfs/dbraw/zinc/10/14/50/1159101450.db2.gz TWWISFFAEUNIRR-UHFFFAOYSA-N 0 0 322.361 0.651 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000402595812 1159120161 /nfs/dbraw/zinc/12/01/61/1159120161.db2.gz OGWJNDLGNREZDI-LBPRGKRZSA-N 0 0 320.798 0.897 10 0 DCAERN C[C@H](O)C1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC000075738004 1173935314 /nfs/dbraw/zinc/93/53/14/1173935314.db2.gz SASKBDONZBDBQX-VIFPVBQESA-N 0 0 303.384 0.207 10 0 DCAERN C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1c[nH]cn1 ZINC000087888033 1175226972 /nfs/dbraw/zinc/22/69/72/1175226972.db2.gz KOJTXRDMENFYAS-SECBINFHSA-N 0 0 306.347 0.941 10 0 DCAERN O=C(CCOc1cccc(Br)c1)NC[C@@H](O)CO ZINC000090280764 1175390777 /nfs/dbraw/zinc/39/07/77/1175390777.db2.gz ACCYCPHVEXYGME-SNVBAGLBSA-N 0 0 318.167 0.687 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NCCOCCO ZINC000094045148 1175693765 /nfs/dbraw/zinc/69/37/65/1175693765.db2.gz ZNZUBEMTVDGKNF-UHFFFAOYSA-N 0 0 303.156 0.770 10 0 DCAERN CNC(=O)CN(C)C(=O)c1cc(Br)ccc1N ZINC000123693585 1177057664 /nfs/dbraw/zinc/05/76/64/1177057664.db2.gz JYXKGJQHOUIOHO-UHFFFAOYSA-N 0 0 300.156 0.849 10 0 DCAERN COC[C@@H](O)CCNC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000133509870 1177527771 /nfs/dbraw/zinc/52/77/71/1177527771.db2.gz ODKIYOBZDDJAKA-WDEREUQCSA-N 0 0 300.359 0.772 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2cccc(Cl)c2N)CC1 ZINC000155896631 1180555795 /nfs/dbraw/zinc/55/57/95/1180555795.db2.gz MJLRTCZZGAXTBP-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(F)c2N)C1 ZINC000156104050 1180556065 /nfs/dbraw/zinc/55/60/65/1180556065.db2.gz PHSRRALKQACSNV-VIFPVBQESA-N 0 0 315.370 0.562 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2c(C)nn(C)c2C)CC1 ZINC000158091984 1180563116 /nfs/dbraw/zinc/56/31/16/1180563116.db2.gz KKPDRSFIOLKJGF-UHFFFAOYSA-N 0 0 322.409 0.794 10 0 DCAERN CC(=O)NCCCCCC(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000163499020 1182607912 /nfs/dbraw/zinc/60/79/12/1182607912.db2.gz HKBZVRRDGQBDPV-CYBMUJFWSA-N 0 0 300.399 0.681 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000174011046 1183953904 /nfs/dbraw/zinc/95/39/04/1183953904.db2.gz MYTRNEJDLXFTOD-QPUJVOFHSA-N 0 0 321.381 0.072 10 0 DCAERN C[C@H](Cc1ccsc1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000175107739 1184037126 /nfs/dbraw/zinc/03/71/26/1184037126.db2.gz UFBJWEWQGSZLTM-LLVKDONJSA-N 0 0 321.402 0.698 10 0 DCAERN Cn1cncc1CCC(=O)NCCNC(=O)c1ccccc1O ZINC000189886054 1187954120 /nfs/dbraw/zinc/95/41/20/1187954120.db2.gz VUWKNRIWGKWRRN-UHFFFAOYSA-N 0 0 316.361 0.605 10 0 DCAERN C[C@H]1CC(O)C[C@H](C)N1Cc1nc(CS(C)(=O)=O)no1 ZINC000191251719 1187958624 /nfs/dbraw/zinc/95/86/24/1187958624.db2.gz RRYYQXZRHPPUTN-IUCAKERBSA-N 0 0 303.384 0.348 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)c3ccc[nH]3)c2)NC(=O)NC1=O ZINC000195006602 1188197019 /nfs/dbraw/zinc/19/70/19/1188197019.db2.gz PPKKDQQBDUVWNY-INIZCTEOSA-N 0 0 312.329 0.999 10 0 DCAERN CC[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1N)OC ZINC000307909479 1190385996 /nfs/dbraw/zinc/38/59/96/1190385996.db2.gz WWKVINBOPSIKTD-SECBINFHSA-N 0 0 300.380 0.827 10 0 DCAERN NC(=O)[C@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000310333309 1190390076 /nfs/dbraw/zinc/39/00/76/1190390076.db2.gz ZHFSEDGCFDERIR-ZCFIWIBFSA-N 0 0 322.546 0.074 10 0 DCAERN O=C(c1cccnc1Br)N1C[C@H](O)[C@@H](CO)C1 ZINC000316439167 1190414826 /nfs/dbraw/zinc/41/48/26/1190414826.db2.gz DVTOPXIQRKEBHJ-APPZFPTMSA-N 0 0 301.140 0.269 10 0 DCAERN C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000588563027 747443986 /nfs/dbraw/zinc/44/39/86/747443986.db2.gz CPGWWUIICHDXJD-OJIASSBASA-N 0 0 305.309 0.975 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000179614274 758128111 /nfs/dbraw/zinc/12/81/11/758128111.db2.gz BRDWQZWOZBDIPC-SQWLQELKSA-N 0 0 306.362 0.967 10 0 DCAERN COC(=O)N1CCN(S(=O)(=O)c2cccnc2F)CC1 ZINC000401810988 774067460 /nfs/dbraw/zinc/06/74/60/774067460.db2.gz FIZPZWHIOPEPIO-UHFFFAOYSA-N 0 0 303.315 0.293 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CNC(=O)c1ccc(C)s1 ZINC000701190057 949747537 /nfs/dbraw/zinc/74/75/37/949747537.db2.gz NRVBSWZTIGDUMZ-SECBINFHSA-N 0 0 300.380 0.910 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(=O)[O-])s2)C1 ZINC000690728476 968904484 /nfs/dbraw/zinc/90/44/84/968904484.db2.gz VCNIOTRUWUZVCJ-SECBINFHSA-N 0 0 318.420 0.817 10 0 DCAERN CSCC[C@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000697123123 976832827 /nfs/dbraw/zinc/83/28/27/976832827.db2.gz NBFPSKDUQUXQOM-VIFPVBQESA-N 0 0 300.384 0.722 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)Nc2cn(C)c(=O)cc2C)CC1 ZINC000181227210 199267754 /nfs/dbraw/zinc/26/77/54/199267754.db2.gz DISNABXPRGOJHC-ZDUSSCGKSA-N 0 0 322.409 0.614 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCc4c(ncn(C)c4=O)C3)ccc21 ZINC000328615698 231247432 /nfs/dbraw/zinc/24/74/32/231247432.db2.gz BAROAPIOXQWIPZ-UHFFFAOYSA-N 0 0 323.356 0.866 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N[C@@](C)(CCO)COC)CC1=O ZINC000182822247 282189930 /nfs/dbraw/zinc/18/99/30/282189930.db2.gz ROKKRDIEEAPHHV-LRDDRELGSA-N 0 0 314.426 0.927 10 0 DCAERN CC[C@H](NC(=O)NCc1cscn1)C(=O)N1CCOCC1 ZINC000176468070 529516036 /nfs/dbraw/zinc/51/60/36/529516036.db2.gz WVLAQCGUEZDREC-NSHDSACASA-N 0 0 312.395 0.580 10 0 DCAERN CC[C@@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000131801800 529534825 /nfs/dbraw/zinc/53/48/25/529534825.db2.gz TUXZGPRNYFYGAO-WBMJQRKESA-N 0 0 309.410 0.618 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000088198056 185241634 /nfs/dbraw/zinc/24/16/34/185241634.db2.gz XXCYROUBKHOEGD-LLVKDONJSA-N 0 0 301.350 0.804 10 0 DCAERN CCc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)s1 ZINC000090699020 185310328 /nfs/dbraw/zinc/31/03/28/185310328.db2.gz DJPSFJCJURTESF-NSHDSACASA-N 0 0 315.464 0.589 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ncccc1C(F)(F)F ZINC000092519511 185323924 /nfs/dbraw/zinc/32/39/24/185323924.db2.gz FJBYWICUWBVJNC-SSDOTTSWSA-N 0 0 301.224 0.635 10 0 DCAERN Cc1ccccc1CS(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000181412899 199293111 /nfs/dbraw/zinc/29/31/11/199293111.db2.gz CUMICRWZLUSGIS-RYUDHWBXSA-N 0 0 304.389 0.068 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000181424908 199295147 /nfs/dbraw/zinc/29/51/47/199295147.db2.gz PRJGLJBOZANPAR-CYBMUJFWSA-N 0 0 303.318 0.444 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000162750913 529839702 /nfs/dbraw/zinc/83/97/02/529839702.db2.gz KJSUPTAKWTWGOT-UHFFFAOYSA-N 0 0 302.334 0.425 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169906 529851987 /nfs/dbraw/zinc/85/19/87/529851987.db2.gz BDEMEQBTELDDRP-CQSZACIVSA-N 0 0 309.410 0.521 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCNC(=O)c1ccccc1 ZINC000186863577 529853760 /nfs/dbraw/zinc/85/37/60/529853760.db2.gz VTVXAIGAZQSRON-UHFFFAOYSA-N 0 0 305.378 0.830 10 0 DCAERN CNC(=O)NCC(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000275646281 529884447 /nfs/dbraw/zinc/88/44/47/529884447.db2.gz NXMKDODAMNOPSW-NSHDSACASA-N 0 0 321.381 0.056 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C)cc1F)C(C)C ZINC000179077389 529918800 /nfs/dbraw/zinc/91/88/00/529918800.db2.gz BNDCFDMQSCNQJH-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(C)C ZINC000178838988 529919011 /nfs/dbraw/zinc/91/90/11/529919011.db2.gz BCVLFVHAMZHRNP-GFCCVEGCSA-N 0 0 304.412 0.231 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccccc1)C(C)C ZINC000178447057 529919657 /nfs/dbraw/zinc/91/96/57/529919657.db2.gz TYEWVOBDSICFID-CYBMUJFWSA-N 0 0 320.393 0.486 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)nc2c1cnn2C ZINC000175704638 529924186 /nfs/dbraw/zinc/92/41/86/529924186.db2.gz WZDZXIXBCUCKFR-GFCCVEGCSA-N 0 0 301.350 0.627 10 0 DCAERN Cn1c(CN2CCS(=O)(=O)CC2)nnc1-c1ccccc1 ZINC000103266465 185442891 /nfs/dbraw/zinc/44/28/91/185442891.db2.gz AEIRCGQNYRRPTI-UHFFFAOYSA-N 0 0 306.391 0.713 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2COc3ccccc3C2)CC(=O)N1C ZINC000282169452 290725968 /nfs/dbraw/zinc/72/59/68/290725968.db2.gz KQLWRXFXBVBQCL-WCQYABFASA-N 0 0 303.362 0.862 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000187851640 530016022 /nfs/dbraw/zinc/01/60/22/530016022.db2.gz DMCOPQLSCXGZLQ-QMMMGPOBSA-N 0 0 317.333 0.520 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2cnn(C)c2)CC[S@]1=O ZINC000184304287 282377331 /nfs/dbraw/zinc/37/73/31/282377331.db2.gz UKHZDULDUDQVAU-IBGZPJMESA-N 0 0 319.452 0.732 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC(c2nncn2C)CC1)C(C)C ZINC000108257358 185505578 /nfs/dbraw/zinc/50/55/78/185505578.db2.gz OCSPHUWTALOEEE-GFCCVEGCSA-N 0 0 323.397 0.902 10 0 DCAERN CO[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@H]1C ZINC000330941683 232189812 /nfs/dbraw/zinc/18/98/12/232189812.db2.gz FTDWAXDUVGTFOL-NEPJUHHUSA-N 0 0 311.382 0.544 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000286824033 219183747 /nfs/dbraw/zinc/18/37/47/219183747.db2.gz JCMFNCZLEURZEF-SNVBAGLBSA-N 0 0 319.814 0.652 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1F ZINC000183363725 199582197 /nfs/dbraw/zinc/58/21/97/199582197.db2.gz KVKOZNABIFNQLP-SNVBAGLBSA-N 0 0 320.317 0.148 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@H](O)COC[C@@H]1CCCO1)C2 ZINC000069815944 190824122 /nfs/dbraw/zinc/82/41/22/190824122.db2.gz IEIKAOSGCSCBSS-KBPBESRZSA-N 0 0 324.425 0.774 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC(C)(O)CC2)[C@@H]1c1cccnc1 ZINC000177789563 282628580 /nfs/dbraw/zinc/62/85/80/282628580.db2.gz GKAHWTQLWNSHEJ-HIFRSBDPSA-N 0 0 317.389 0.974 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000287106212 219316782 /nfs/dbraw/zinc/31/67/82/219316782.db2.gz ZHNIJZGNINKVLG-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CSCC1=O)CC2 ZINC000150713984 186059116 /nfs/dbraw/zinc/05/91/16/186059116.db2.gz UVBLYCYCBMOCCR-SNVBAGLBSA-N 0 0 323.422 0.365 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H]1N1CCOCC1 ZINC000175711525 186190902 /nfs/dbraw/zinc/19/09/02/186190902.db2.gz IZLYMMIJSCKLDA-GXTWGEPZSA-N 0 0 307.398 0.282 10 0 DCAERN COCCn1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000179732634 186211301 /nfs/dbraw/zinc/21/13/01/186211301.db2.gz FUNVNRHEKVVDDC-AWEZNQCLSA-N 0 0 323.393 0.120 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171515359 197935123 /nfs/dbraw/zinc/93/51/23/197935123.db2.gz NFIGFKQGPOJMGU-GFCCVEGCSA-N 0 0 314.411 0.701 10 0 DCAERN O=C(N[C@@H]1[C@@H](C2CCCCC2)C[C@@H](O)[C@H]1O)c1cncnc1 ZINC000072321605 191121069 /nfs/dbraw/zinc/12/10/69/191121069.db2.gz FVCNHPWRRFYSOJ-KBUPBQIOSA-N 0 0 305.378 0.897 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cncc(O)c3)CC2)n1 ZINC000171871854 197998758 /nfs/dbraw/zinc/99/87/58/197998758.db2.gz AWLSLMPFCBNXQB-JTQLQIEISA-N 0 0 317.349 0.998 10 0 DCAERN COC[C@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000172101489 198039603 /nfs/dbraw/zinc/03/96/03/198039603.db2.gz ASSKGEGUZUZLBQ-NSHDSACASA-N 0 0 312.391 0.833 10 0 DCAERN CC(C)(NC(=O)CNC(=O)N1CCc2ccccc2C1)C(N)=O ZINC000172280218 198070138 /nfs/dbraw/zinc/07/01/38/198070138.db2.gz OGBPFRRGTAJDOA-UHFFFAOYSA-N 0 0 318.377 0.134 10 0 DCAERN CCN(C(=O)NCCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000172292163 198071472 /nfs/dbraw/zinc/07/14/72/198071472.db2.gz WDVAIVCSWSORBQ-LBPRGKRZSA-N 0 0 314.411 0.410 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1CO ZINC000172472133 198102315 /nfs/dbraw/zinc/10/23/15/198102315.db2.gz SXGMEDNRJFEPMR-CHWSQXEVSA-N 0 0 305.382 0.612 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172529230 198111217 /nfs/dbraw/zinc/11/12/17/198111217.db2.gz UIMCOQLLNRADHM-GHMZBOCLSA-N 0 0 306.366 0.231 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)CCC1=O ZINC000172618132 198125470 /nfs/dbraw/zinc/12/54/70/198125470.db2.gz UOJQXDXGZCPAQS-KGLIPLIRSA-N 0 0 305.378 0.510 10 0 DCAERN COC[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCO1 ZINC000172618419 198125711 /nfs/dbraw/zinc/12/57/11/198125711.db2.gz KBYXMYQBCXOPMD-NSHDSACASA-N 0 0 305.334 0.203 10 0 DCAERN CCOCCS(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000172679613 198135100 /nfs/dbraw/zinc/13/51/00/198135100.db2.gz IXYROWCHJTUWLR-UHFFFAOYSA-N 0 0 314.411 0.719 10 0 DCAERN CCOC(=O)c1nnc2nc(SC)nn2c1/C=C/N(C)C ZINC000072452345 191171325 /nfs/dbraw/zinc/17/13/25/191171325.db2.gz CRCPSUKTAYLWCX-VOTSOKGWSA-N 0 0 308.367 0.950 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1c(C(C)=O)c(C)nn12 ZINC000072462384 191172165 /nfs/dbraw/zinc/17/21/65/191172165.db2.gz HIZRIFAKYINUOU-UHFFFAOYSA-N 0 0 302.294 0.238 10 0 DCAERN COC(=O)Cc1nn(-c2ccccc2)c2c1nnc1nc(C)nn12 ZINC000072461523 191172459 /nfs/dbraw/zinc/17/24/59/191172459.db2.gz KBCRKMDZJHFFLF-UHFFFAOYSA-N 0 0 323.316 0.882 10 0 DCAERN COC(=O)c1c(C)nn2c1ncc1c2ccn(CCO)c1=O ZINC000072465455 191174037 /nfs/dbraw/zinc/17/40/37/191174037.db2.gz NQDWGTJOUOLTIM-UHFFFAOYSA-N 0 0 302.290 0.132 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172714875 198140431 /nfs/dbraw/zinc/14/04/31/198140431.db2.gz NVLWHYFXHLAYCB-IUODEOHRSA-N 0 0 318.377 0.196 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000172734475 198142919 /nfs/dbraw/zinc/14/29/19/198142919.db2.gz UQHZEEXMZDSUQN-OCCSQVGLSA-N 0 0 315.373 0.743 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000072610243 191201163 /nfs/dbraw/zinc/20/11/63/191201163.db2.gz ZXPPNPYTKMHWFK-NSHDSACASA-N 0 0 323.368 0.910 10 0 DCAERN COCCOC[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000173158753 198190389 /nfs/dbraw/zinc/19/03/89/198190389.db2.gz MEMKOMFVWLXSFT-CHWSQXEVSA-N 0 0 324.377 0.909 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)COC)ncn1 ZINC000173428126 198213407 /nfs/dbraw/zinc/21/34/07/198213407.db2.gz MJXCJWHRJDMTET-VXGBXAGGSA-N 0 0 307.398 0.886 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173565447 198227804 /nfs/dbraw/zinc/22/78/04/198227804.db2.gz IHKZRZLRKGPVEP-NWDGAFQWSA-N 0 0 323.397 0.294 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)NCc2noc(C)n2)C1 ZINC000173568041 198228075 /nfs/dbraw/zinc/22/80/75/198228075.db2.gz MAQQRWGBNQUQHM-NSHDSACASA-N 0 0 309.370 0.826 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173697179 198241772 /nfs/dbraw/zinc/24/17/72/198241772.db2.gz JDYSBIQXMWRRLN-LBPRGKRZSA-N 0 0 314.349 0.784 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173700566 198242239 /nfs/dbraw/zinc/24/22/39/198242239.db2.gz SNFJNRQCTKJLKK-GFCCVEGCSA-N 0 0 308.386 0.539 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1N1CCOCC1 ZINC000173854060 198260830 /nfs/dbraw/zinc/26/08/30/198260830.db2.gz YTUCRNLRUBGYTC-TZMCWYRMSA-N 0 0 305.378 0.178 10 0 DCAERN Cc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]1 ZINC000173855067 198261046 /nfs/dbraw/zinc/26/10/46/198261046.db2.gz HFNJCJDULOHXFR-SMDDNHRTSA-N 0 0 305.378 0.476 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1N1CCOCC1 ZINC000173958172 198272669 /nfs/dbraw/zinc/27/26/69/198272669.db2.gz HBKOWKQFIFQFNU-UKRRQHHQSA-N 0 0 317.389 0.804 10 0 DCAERN CCOC(=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1C ZINC000173820358 198256361 /nfs/dbraw/zinc/25/63/61/198256361.db2.gz CSGJBFPBWYECSY-CYBMUJFWSA-N 0 0 317.349 0.792 10 0 DCAERN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CNC(=O)C1 ZINC000174347915 198323179 /nfs/dbraw/zinc/32/31/79/198323179.db2.gz ZXPIEEFJLVRREL-LLVKDONJSA-N 0 0 316.336 0.806 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067085 283009322 /nfs/dbraw/zinc/00/93/22/283009322.db2.gz UDGDQZRBVWQDOK-ZJIFWQFVSA-N 0 0 317.389 0.701 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)CCN1CCCS1(=O)=O ZINC000182729063 199481456 /nfs/dbraw/zinc/48/14/56/199481456.db2.gz BGHNPCNRGOOUER-NSHDSACASA-N 0 0 314.411 0.365 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000075977095 191545521 /nfs/dbraw/zinc/54/55/21/191545521.db2.gz LSTHEVHMKPQIPK-WCQYABFASA-N 0 0 311.407 0.814 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cc1-n1cnnn1 ZINC000076099193 191579619 /nfs/dbraw/zinc/57/96/19/191579619.db2.gz MIGNPQBTMYOHKW-MWLCHTKSSA-N 0 0 300.322 0.434 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000077776163 191773733 /nfs/dbraw/zinc/77/37/33/191773733.db2.gz ZXXZPHVXHUYYCR-WDEREUQCSA-N 0 0 314.407 0.906 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CCC1=O ZINC000078982339 283198460 /nfs/dbraw/zinc/19/84/60/283198460.db2.gz MIIOQTXXGLPDBQ-WDEREUQCSA-N 0 0 310.398 0.306 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389213 290554486 /nfs/dbraw/zinc/55/44/86/290554486.db2.gz ZJOBAMKUSBYBMF-VIFPVBQESA-N 0 0 320.802 0.363 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)no1 ZINC000120150731 535365107 /nfs/dbraw/zinc/36/51/07/535365107.db2.gz JNYOSFKUFCEIPC-OAHLLOKOSA-N 0 0 311.382 0.611 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cn1 ZINC000179446794 199037424 /nfs/dbraw/zinc/03/74/24/199037424.db2.gz QQOYQWAZPFPGES-CMPLNLGQSA-N 0 0 309.370 0.302 10 0 DCAERN CS[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000179479185 199043126 /nfs/dbraw/zinc/04/31/26/199043126.db2.gz RJFHHZPDAGCGFV-HUUCEWRRSA-N 0 0 324.446 0.900 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000180255366 199137394 /nfs/dbraw/zinc/13/73/94/199137394.db2.gz WOIHLYWNEMMRII-OCCSQVGLSA-N 0 0 318.377 0.199 10 0 DCAERN Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)n1 ZINC000180485347 199165346 /nfs/dbraw/zinc/16/53/46/199165346.db2.gz KIJUQVONAQUQSP-ABAIWWIYSA-N 0 0 304.394 0.886 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1F ZINC000180728874 199202979 /nfs/dbraw/zinc/20/29/79/199202979.db2.gz PBCBQZDOVNKMCN-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN COCCCOCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000180908363 199226785 /nfs/dbraw/zinc/22/67/85/199226785.db2.gz CFPIOVRFXDBXFT-AWEZNQCLSA-N 0 0 322.409 0.957 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181129109 199255687 /nfs/dbraw/zinc/25/56/87/199255687.db2.gz KFJYZZVUXGOWKH-MNOVXSKESA-N 0 0 316.365 0.844 10 0 DCAERN C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCS1(=O)=O ZINC000155539281 237042536 /nfs/dbraw/zinc/04/25/36/237042536.db2.gz YMHHWAFZBURSRF-LLVKDONJSA-N 0 0 307.375 0.313 10 0 DCAERN Cc1cc(N2CC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000153616168 237019796 /nfs/dbraw/zinc/01/97/96/237019796.db2.gz OTBWHKLDXCRYDD-IAQYHMDHSA-N 0 0 306.366 0.519 10 0 DCAERN CCc1nsc(N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000174321612 237171337 /nfs/dbraw/zinc/17/13/37/237171337.db2.gz AGOBHVITAPRNDR-UHFFFAOYSA-N 0 0 322.442 0.990 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCSC(C)(C)C1)c2=O ZINC000176458401 237198248 /nfs/dbraw/zinc/19/82/48/237198248.db2.gz NGHGWSDLORVDCI-UHFFFAOYSA-N 0 0 321.406 0.484 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cnccn1 ZINC000177238020 237210830 /nfs/dbraw/zinc/21/08/30/237210830.db2.gz IBEACTMLEYEYBI-LLVKDONJSA-N 0 0 305.382 0.034 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000179231125 237250088 /nfs/dbraw/zinc/25/00/88/237250088.db2.gz KZESPVJMRPTITN-LLVKDONJSA-N 0 0 304.412 0.153 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCN1CCO ZINC000187274954 200087673 /nfs/dbraw/zinc/08/76/73/200087673.db2.gz MUCNARVYHUUWBJ-NSHDSACASA-N 0 0 303.366 0.107 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187326180 200095742 /nfs/dbraw/zinc/09/57/42/200095742.db2.gz XIQZXKDKPWDODL-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN CCc1onc(C)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000186588077 237317533 /nfs/dbraw/zinc/31/75/33/237317533.db2.gz GISZSWKALJMQGI-VIFPVBQESA-N 0 0 301.368 0.309 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@H](OCCO)C1 ZINC000187396138 200106757 /nfs/dbraw/zinc/10/67/57/200106757.db2.gz HFDPWSLURGKNCM-AWEZNQCLSA-N 0 0 322.409 0.831 10 0 DCAERN COCCN1CCN(C(=O)NCc2cc(C(N)=O)co2)C[C@@H]1C ZINC000188013200 237365473 /nfs/dbraw/zinc/36/54/73/237365473.db2.gz MFHQGRFGTIFYGW-NSHDSACASA-N 0 0 324.381 0.241 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCN1CCO ZINC000187732242 200150378 /nfs/dbraw/zinc/15/03/78/200150378.db2.gz DTRWEYBQRUCODR-GFCCVEGCSA-N 0 0 324.425 0.909 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1CCO ZINC000187301064 237346864 /nfs/dbraw/zinc/34/68/64/237346864.db2.gz VJVKSGLKYNGRQM-ZDUSSCGKSA-N 0 0 316.401 0.883 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000193925152 237494633 /nfs/dbraw/zinc/49/46/33/237494633.db2.gz SRHYVHSEZPJYMS-RYUDHWBXSA-N 0 0 318.377 0.749 10 0 DCAERN CC(C)CN1CCN(C(=O)c2cc(C(N)=O)cn2C)CC1=O ZINC000188668004 200284342 /nfs/dbraw/zinc/28/43/42/200284342.db2.gz SKKOLYCKNAPDGV-UHFFFAOYSA-N 0 0 306.366 0.064 10 0 DCAERN NC(=O)c1cc(Cl)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000153537357 291207291 /nfs/dbraw/zinc/20/72/91/291207291.db2.gz RPWVDZKTSNUJIK-NSHDSACASA-N 0 0 314.769 0.511 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153708747 291208213 /nfs/dbraw/zinc/20/82/13/291208213.db2.gz TVIHGCWKEJGLRZ-LLVKDONJSA-N 0 0 320.384 0.884 10 0 DCAERN CC(C)c1noc(CCC(=O)N2CCN(CCO)[C@@H](C)C2)n1 ZINC000188699618 200290360 /nfs/dbraw/zinc/29/03/60/200290360.db2.gz NUCWLXKYTXZWQZ-LBPRGKRZSA-N 0 0 310.398 0.651 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000154010533 291210239 /nfs/dbraw/zinc/21/02/39/291210239.db2.gz XDLDPWVLJURITM-JTQLQIEISA-N 0 0 310.317 0.842 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000154124147 291210694 /nfs/dbraw/zinc/21/06/94/291210694.db2.gz MMYUJRGCRGTMSO-YPMHNXCESA-N 0 0 313.361 0.971 10 0 DCAERN Cn1nccc1NC(=O)C(=O)NCCc1cc(F)ccc1F ZINC000154276810 291211896 /nfs/dbraw/zinc/21/18/96/291211896.db2.gz GLHKUSYSUMMDEE-UHFFFAOYSA-N 0 0 308.288 0.996 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000154875092 291216081 /nfs/dbraw/zinc/21/60/81/291216081.db2.gz IVLDDCGFCWSLIE-VHSXEESVSA-N 0 0 306.370 0.708 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000154875400 291216264 /nfs/dbraw/zinc/21/62/64/291216264.db2.gz IVLDDCGFCWSLIE-ZJUUUORDSA-N 0 0 306.370 0.708 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000156447722 291225107 /nfs/dbraw/zinc/22/51/07/291225107.db2.gz SBKGYYYGYPJLEC-MWLCHTKSSA-N 0 0 317.349 0.109 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000157164634 291227412 /nfs/dbraw/zinc/22/74/12/291227412.db2.gz TVWGCIKACWWHIM-ZDUSSCGKSA-N 0 0 318.377 0.783 10 0 DCAERN NC(=O)C1(NC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000157675310 291229220 /nfs/dbraw/zinc/22/92/20/291229220.db2.gz ZITFSRKXLPYGGK-UHFFFAOYSA-N 0 0 303.240 0.770 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)nn1 ZINC000157746576 291229745 /nfs/dbraw/zinc/22/97/45/291229745.db2.gz UXJBLHHUTWKEMF-GFCCVEGCSA-N 0 0 317.324 0.710 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@H]1CC(=O)c1ccco1 ZINC000158308744 291231036 /nfs/dbraw/zinc/23/10/36/291231036.db2.gz DOBPOISLGGALPU-GFCCVEGCSA-N 0 0 322.361 0.996 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1cccn1 ZINC000184399379 291235129 /nfs/dbraw/zinc/23/51/29/291235129.db2.gz BMLQSQAHSKSYLP-DGCLKSJQSA-N 0 0 322.390 0.864 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162812492 291245439 /nfs/dbraw/zinc/24/54/39/291245439.db2.gz MKOBFSGIQRUEOW-SWLSCSKDSA-N 0 0 320.389 0.929 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000163623599 291246535 /nfs/dbraw/zinc/24/65/35/291246535.db2.gz ZPDYNGOPTHXDRB-MNOVXSKESA-N 0 0 304.350 0.441 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H]3CCO[C@H]3C)CCO2)c1 ZINC000270676053 291250721 /nfs/dbraw/zinc/25/07/21/291250721.db2.gz ROCVFGUBODHTIO-IHRRRGAJSA-N 0 0 308.382 0.779 10 0 DCAERN O=C(NC1CC1)c1noc([C@@H]2CCCN2CCn2cccn2)n1 ZINC000328625893 291259582 /nfs/dbraw/zinc/25/95/82/291259582.db2.gz DQSXCJOYZSCOQH-LBPRGKRZSA-N 0 0 316.365 0.995 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328651131 291259977 /nfs/dbraw/zinc/25/99/77/291259977.db2.gz VWGZTRHOQDWCKF-ZDUSSCGKSA-N 0 0 312.439 0.975 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408247696 296036185 /nfs/dbraw/zinc/03/61/85/296036185.db2.gz PSEXWQRBCJBTJZ-BZNIZROVSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281494600 216340088 /nfs/dbraw/zinc/34/00/88/216340088.db2.gz JWLBCPBCSWAWEB-STQMWFEESA-N 0 0 319.409 0.943 10 0 DCAERN Cn1cc([C@H](CO)NC(=O)N[C@@H]2CCCc3nn(C)cc32)cn1 ZINC000566725739 291319962 /nfs/dbraw/zinc/31/99/62/291319962.db2.gz TVDNUDDAJXSLDN-OCCSQVGLSA-N 0 0 318.381 0.564 10 0 DCAERN COC(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179435790 283821501 /nfs/dbraw/zinc/82/15/01/283821501.db2.gz NIZQQRRWWHYOPJ-WFASDCNBSA-N 0 0 322.336 0.977 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000091489735 193063072 /nfs/dbraw/zinc/06/30/72/193063072.db2.gz KNNNKZLZJOIPQJ-KYHHOPLUSA-N 0 0 308.300 0.627 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)C2(C)CC2)CC12COC2 ZINC000451621897 240666827 /nfs/dbraw/zinc/66/68/27/240666827.db2.gz YEABKKFZLRLZMS-JTQLQIEISA-N 0 0 303.380 0.380 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667870 193087517 /nfs/dbraw/zinc/08/75/17/193087517.db2.gz MFWCAYJHTPBLRO-SNVBAGLBSA-N 0 0 314.183 0.905 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000091781193 193106997 /nfs/dbraw/zinc/10/69/97/193106997.db2.gz XHLCOCVTCWRGDJ-NSHDSACASA-N 0 0 316.279 0.961 10 0 DCAERN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783570 193107593 /nfs/dbraw/zinc/10/75/93/193107593.db2.gz IWHRSGNHOPAPID-CABZTGNLSA-N 0 0 312.753 0.820 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784861 193107776 /nfs/dbraw/zinc/10/77/76/193107776.db2.gz GDHCWKJZXRQUTQ-MWLCHTKSSA-N 0 0 312.753 0.820 10 0 DCAERN O=C(NCCc1cccc(Cl)c1)NC[C@@H](O)Cn1ccnn1 ZINC000457483998 241007265 /nfs/dbraw/zinc/00/72/65/241007265.db2.gz VNQYVOCZDANKJB-CYBMUJFWSA-N 0 0 323.784 0.834 10 0 DCAERN CC(C)(CNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000457733703 241031701 /nfs/dbraw/zinc/03/17/01/241031701.db2.gz NIJGEMMPFPKYCO-CQSZACIVSA-N 0 0 317.393 0.916 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@]1(C)CCCCO1 ZINC000457747807 241034561 /nfs/dbraw/zinc/03/45/61/241034561.db2.gz AGWKIOXUFKIPMS-ZETOZRRWSA-N 0 0 314.382 0.518 10 0 DCAERN CNC(=O)CCNC(=O)NCCCc1nnc2ccccn21 ZINC000489312153 241092621 /nfs/dbraw/zinc/09/26/21/241092621.db2.gz INDRXNCZLJAVPS-UHFFFAOYSA-N 0 0 304.354 0.097 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000489934872 241102953 /nfs/dbraw/zinc/10/29/53/241102953.db2.gz JPMLFAWNEUCCJH-UHFFFAOYSA-N 0 0 314.773 0.909 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C[C@H](O)COc2ccccc2)n1 ZINC000275267814 212235253 /nfs/dbraw/zinc/23/52/53/212235253.db2.gz IWHCRGMDSZQQPX-VNHYZAJKSA-N 0 0 319.361 0.926 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)no1 ZINC000568015730 291397889 /nfs/dbraw/zinc/39/78/89/291397889.db2.gz PMTNOTCRJUUPQL-SECBINFHSA-N 0 0 306.366 0.994 10 0 DCAERN Cc1cc(C(=O)CN2CCOC[C@H]2C(N)=O)c(C)n1C1CC1 ZINC000092228734 193176294 /nfs/dbraw/zinc/17/62/94/193176294.db2.gz FRKUGWKRTQMVKJ-AWEZNQCLSA-N 0 0 305.378 0.809 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1nc2ccccc2s1 ZINC000092229261 193177445 /nfs/dbraw/zinc/17/74/45/193177445.db2.gz JWYVKJJUPKXQTR-JTQLQIEISA-N 0 0 320.374 0.421 10 0 DCAERN Nc1nc2c(nnn2Cc2ccccc2)c(N2CCOCC2)n1 ZINC000253560235 202900649 /nfs/dbraw/zinc/90/06/49/202900649.db2.gz ANUCHCXNHJLXBJ-UHFFFAOYSA-N 0 0 311.349 0.688 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N(C)CCCO)ccc2n1C ZINC000568711273 291442079 /nfs/dbraw/zinc/44/20/79/291442079.db2.gz YTWLMPIIADGZJR-UHFFFAOYSA-N 0 0 304.350 0.661 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@@H](O)C1CCOCC1 ZINC000569050149 291459378 /nfs/dbraw/zinc/45/93/78/291459378.db2.gz DBUZJOCBFBLCIV-CQSZACIVSA-N 0 0 300.399 0.890 10 0 DCAERN CC(C)(CNC1=NS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000093524230 193264120 /nfs/dbraw/zinc/26/41/20/193264120.db2.gz SOBCFNLPERBDIR-UHFFFAOYSA-N 0 0 316.404 0.548 10 0 DCAERN COc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1OC ZINC000093531146 193265038 /nfs/dbraw/zinc/26/50/38/193265038.db2.gz LTEDVKOUJPSLTL-GFCCVEGCSA-N 0 0 314.407 0.827 10 0 DCAERN COc1ccc(NC(=O)CN2CCO[C@H](CO)C2)cc1Cl ZINC000094267624 193355016 /nfs/dbraw/zinc/35/50/16/193355016.db2.gz CFGMDNAXGLEWEZ-NSHDSACASA-N 0 0 314.769 0.980 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CC(=O)N1C ZINC000282398873 216964813 /nfs/dbraw/zinc/96/48/13/216964813.db2.gz OWTBLCRPVCZAOJ-NSHDSACASA-N 0 0 303.362 0.691 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000249370159 284202104 /nfs/dbraw/zinc/20/21/04/284202104.db2.gz OWAOTTHDQMNMAR-JLLWLGSASA-N 0 0 305.334 0.403 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282460196 217011384 /nfs/dbraw/zinc/01/13/84/217011384.db2.gz TVXHLQZRGKXTNR-VIFPVBQESA-N 0 0 305.334 0.653 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408420192 291507493 /nfs/dbraw/zinc/50/74/93/291507493.db2.gz SLXWOKKPDLBWQT-UWVGGRQHSA-N 0 0 308.425 0.511 10 0 DCAERN COCCNC(=O)c1ccc(NC(=O)CCC(=O)OC)cc1 ZINC000013617129 181868917 /nfs/dbraw/zinc/86/89/17/181868917.db2.gz ASXRNKYFOXDDJO-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H](C)CCO ZINC000097444740 193721456 /nfs/dbraw/zinc/72/14/56/193721456.db2.gz IXNFVZLTYBZWRI-MRVPVSSYSA-N 0 0 319.379 0.980 10 0 DCAERN CN(Cc1cccc(O)c1)C(=O)C(=O)NCc1ccn(C)n1 ZINC000572390779 291565687 /nfs/dbraw/zinc/56/56/87/291565687.db2.gz XPMLGTGBKLBPDS-UHFFFAOYSA-N 0 0 302.334 0.401 10 0 DCAERN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389265 296203352 /nfs/dbraw/zinc/20/33/52/296203352.db2.gz ZYFPLWYBSGJURD-PSASIEDQSA-N 0 0 307.803 0.998 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000408258254 291630832 /nfs/dbraw/zinc/63/08/32/291630832.db2.gz ZCHCELAMISAWBH-XQHKEYJVSA-N 0 0 317.407 0.769 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000358355584 261661342 /nfs/dbraw/zinc/66/13/42/261661342.db2.gz AMLUSKMKFRZGHB-WDEREUQCSA-N 0 0 321.443 0.475 10 0 DCAERN CCNC(=O)CN(CC)S(=O)(=O)c1ccnc(Cl)c1 ZINC000038104184 182990394 /nfs/dbraw/zinc/99/03/94/182990394.db2.gz WNTQMSIWFSCJAU-UHFFFAOYSA-N 0 0 305.787 0.882 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2COCCO2)c1 ZINC000038062479 182985127 /nfs/dbraw/zinc/98/51/27/182985127.db2.gz RPCVNRBAXUQCMJ-SECBINFHSA-N 0 0 306.771 0.616 10 0 DCAERN O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040789282 183133772 /nfs/dbraw/zinc/13/37/72/183133772.db2.gz HAPXEJZGHQQCSU-CABZTGNLSA-N 0 0 324.358 0.080 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](CO)CC(C)C)cc1 ZINC000040794816 183135157 /nfs/dbraw/zinc/13/51/57/183135157.db2.gz DPFCITQHAQAQPU-LBPRGKRZSA-N 0 0 314.407 0.732 10 0 DCAERN NC(=S)CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000041539448 183200422 /nfs/dbraw/zinc/20/04/22/183200422.db2.gz OGMNEEUJJWPKHB-UHFFFAOYSA-N 0 0 307.375 0.459 10 0 DCAERN CC[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278551 183248949 /nfs/dbraw/zinc/24/89/49/183248949.db2.gz MZIJMRWDTWKVGS-ZETCQYMHSA-N 0 0 310.372 0.550 10 0 DCAERN COC(=O)CCS(=O)(=O)N(C)c1ccccc1C(=O)OC ZINC000042317591 183253620 /nfs/dbraw/zinc/25/36/20/183253620.db2.gz NHUFPQGKGJUEQI-UHFFFAOYSA-N 0 0 315.347 0.802 10 0 DCAERN CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C[C@@H]4CCCO4)C(=O)[C@@H]13)O2 ZINC000043727067 183384255 /nfs/dbraw/zinc/38/42/55/183384255.db2.gz ODFODHMLWHLQBT-CGEFAEBTSA-N 0 0 321.373 0.899 10 0 DCAERN Cc1nnc2ccc(-c3nc([C@@H]4CN5CCN4CC5)no3)cn12 ZINC000273983544 211240891 /nfs/dbraw/zinc/24/08/91/211240891.db2.gz LCEOVOHTWXNCKQ-LBPRGKRZSA-N 0 0 311.349 0.760 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104797099 194042383 /nfs/dbraw/zinc/04/23/83/194042383.db2.gz SUWPNFIQGPOCRK-AWEZNQCLSA-N 0 0 320.393 0.176 10 0 DCAERN C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCNC(=O)CC1 ZINC000105202026 194084559 /nfs/dbraw/zinc/08/45/59/194084559.db2.gz SISZBSLYYMYLMV-ZDUSSCGKSA-N 0 0 316.405 0.969 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892281 194160491 /nfs/dbraw/zinc/16/04/91/194160491.db2.gz WUHYLIVYGHDCFV-LSDHHAIUSA-N 0 0 324.425 0.434 10 0 DCAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)NCC(F)(F)F ZINC000105882817 194156211 /nfs/dbraw/zinc/15/62/11/194156211.db2.gz XFOVSBHGJUHVKD-JTQLQIEISA-N 0 0 305.304 0.669 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000127559116 296293142 /nfs/dbraw/zinc/29/31/42/296293142.db2.gz KKCOQVKCVMKOBM-CYBMUJFWSA-N 0 0 304.394 0.766 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000106397842 194205485 /nfs/dbraw/zinc/20/54/85/194205485.db2.gz NBFUIJHJRLUZDD-AWEZNQCLSA-N 0 0 305.378 0.314 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000273772883 211045090 /nfs/dbraw/zinc/04/50/90/211045090.db2.gz WDCFJTMUWVZKGJ-CYBMUJFWSA-N 0 0 323.393 0.626 10 0 DCAERN O=C(c1n[nH]c2c1CCCCC2)N1CCN2CCOC[C@@H]2C1 ZINC000373708098 296300964 /nfs/dbraw/zinc/30/09/64/296300964.db2.gz NLWYZFQCPSUSLM-LBPRGKRZSA-N 0 0 304.394 0.835 10 0 DCAERN CCCCN(CCO)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000049011573 183701757 /nfs/dbraw/zinc/70/17/57/183701757.db2.gz UPMJNOWQLATQFF-UHFFFAOYSA-N 0 0 314.407 0.829 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N(C)Cc1ccc(F)cc1 ZINC000109949237 194299668 /nfs/dbraw/zinc/29/96/68/194299668.db2.gz LECNLUNAHJNPPR-UHFFFAOYSA-N 0 0 323.368 0.817 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000110347916 194323321 /nfs/dbraw/zinc/32/33/21/194323321.db2.gz IGPMSIFZGGCADP-MWLCHTKSSA-N 0 0 310.375 0.403 10 0 DCAERN O=C(NCCCNC(=O)[C@H]1CNC(=O)C1)c1cccc(F)c1 ZINC000110358677 194324669 /nfs/dbraw/zinc/32/46/69/194324669.db2.gz BROAJUVNZOVQBX-LLVKDONJSA-N 0 0 307.325 0.198 10 0 DCAERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H]1CNC(=O)C1 ZINC000110352294 194324914 /nfs/dbraw/zinc/32/49/14/194324914.db2.gz HWQBNYLYNUBYHI-ZCFIWIBFSA-N 0 0 309.709 0.746 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110453184 194330886 /nfs/dbraw/zinc/33/08/86/194330886.db2.gz SRURTJYGIISJEF-CHWSQXEVSA-N 0 0 301.346 0.848 10 0 DCAERN CCS(=O)(=O)CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110888100 194366973 /nfs/dbraw/zinc/36/69/73/194366973.db2.gz GMWYVWPJUKYQLI-CYBMUJFWSA-N 0 0 324.402 0.685 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000111078323 194389462 /nfs/dbraw/zinc/38/94/62/194389462.db2.gz MJHVHDPAJBDKTE-GJZGRUSLSA-N 0 0 320.393 0.369 10 0 DCAERN O=C(CCCNC(=O)[C@@H]1CNC(=O)C1)N1CCc2ccccc21 ZINC000111141086 194394130 /nfs/dbraw/zinc/39/41/30/194394130.db2.gz QGJNMLLFTYVALQ-ZDUSSCGKSA-N 0 0 315.373 0.608 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000328760980 296319203 /nfs/dbraw/zinc/31/92/03/296319203.db2.gz XPQSDTKKKUTMFI-AGIUHOORSA-N 0 0 315.439 0.849 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112093944 194431938 /nfs/dbraw/zinc/43/19/38/194431938.db2.gz COUPWUNFZGXAQP-CYBMUJFWSA-N 0 0 316.427 0.479 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@@](C)(COC)C(F)(F)F ZINC000362201523 262008811 /nfs/dbraw/zinc/00/88/11/262008811.db2.gz GZPHMSSPGXOBMN-VIFPVBQESA-N 0 0 305.318 0.895 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000362232020 262013642 /nfs/dbraw/zinc/01/36/42/262013642.db2.gz AQHCYQZYHSOHGG-QMMMGPOBSA-N 0 0 304.393 0.647 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083750183 295616013 /nfs/dbraw/zinc/61/60/13/295616013.db2.gz FEODECBDHRNQQM-GWCFXTLKSA-N 0 0 313.427 0.835 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cccn1 ZINC000067199976 184454299 /nfs/dbraw/zinc/45/42/99/184454299.db2.gz GTRWOOHDKYDKMC-CQSZACIVSA-N 0 0 300.362 0.699 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCNC(=O)C2CC2)cc1F ZINC000179084196 252610930 /nfs/dbraw/zinc/61/09/30/252610930.db2.gz VAMVNJIMSAWXBR-UHFFFAOYSA-N 0 0 321.352 0.969 10 0 DCAERN O=C1CN(S(=O)(=O)c2cnc3n2CCC3)CN1CC1CC1 ZINC000333043972 252674383 /nfs/dbraw/zinc/67/43/83/252674383.db2.gz PCHDSBBSKRJXOH-UHFFFAOYSA-N 0 0 310.379 0.030 10 0 DCAERN COC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CCCO1 ZINC000333320327 252705927 /nfs/dbraw/zinc/70/59/27/252705927.db2.gz PHKDCLFBMCEIMT-AYRXBEOTSA-N 0 0 323.393 0.808 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000156855637 532988066 /nfs/dbraw/zinc/98/80/66/532988066.db2.gz VNKZCNVNLQZOHA-JOYOIKCWSA-N 0 0 324.299 0.007 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1 ZINC000339218167 253042113 /nfs/dbraw/zinc/04/21/13/253042113.db2.gz QBZJFVJKSJFNDO-HNNXBMFYSA-N 0 0 306.362 0.312 10 0 DCAERN Cn1cc(Br)c(C(=O)N[C@@H]2CCCNC2=O)n1 ZINC000339532245 253100560 /nfs/dbraw/zinc/10/05/60/253100560.db2.gz BUFSXFIYIQAKOC-SSDOTTSWSA-N 0 0 301.144 0.191 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cs1 ZINC000340293482 253231995 /nfs/dbraw/zinc/23/19/95/253231995.db2.gz WHAOZFBHAMYQAE-SNVBAGLBSA-N 0 0 316.404 0.844 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC1(CCO)CC1 ZINC000342639937 253519679 /nfs/dbraw/zinc/51/96/79/253519679.db2.gz UGQKERZHOGKCNY-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H]2CC[C@H]2C)CC1 ZINC000344787003 253832741 /nfs/dbraw/zinc/83/27/41/253832741.db2.gz HQDNPXCDKJTCDD-DGCLKSJQSA-N 0 0 310.398 0.165 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC[C@H](C)[S@](C)=O)on1 ZINC000346158384 254017405 /nfs/dbraw/zinc/01/74/05/254017405.db2.gz UOQQHYLUFZDBHX-FHZGZLOMSA-N 0 0 302.352 0.738 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN2CCS(=O)(=O)CC2)s1 ZINC000346344969 254039815 /nfs/dbraw/zinc/03/98/15/254039815.db2.gz YYZFLCZYBNUFKO-UHFFFAOYSA-N 0 0 317.392 0.015 10 0 DCAERN Cc1ccc(S(=O)(=O)N(C)CCCCO)cc1C(N)=O ZINC000349971551 254306678 /nfs/dbraw/zinc/30/66/78/254306678.db2.gz UYXRSBXDLUARJR-UHFFFAOYSA-N 0 0 300.380 0.487 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350615741 254319007 /nfs/dbraw/zinc/31/90/07/254319007.db2.gz JNLVUEPILBOIEG-SECBINFHSA-N 0 0 320.798 0.820 10 0 DCAERN CSCc1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350615293 254319012 /nfs/dbraw/zinc/31/90/12/254319012.db2.gz DFOBOLNHNBUFCF-VIFPVBQESA-N 0 0 302.421 0.956 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350627941 254321348 /nfs/dbraw/zinc/32/13/48/254321348.db2.gz GVRKBKCLCOFSAZ-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)[C@@H](C)N1CCOCC1 ZINC000187033220 533181839 /nfs/dbraw/zinc/18/18/39/533181839.db2.gz DBDKAJZEXHXXKZ-GHMZBOCLSA-N 0 0 324.381 0.287 10 0 DCAERN C[C@H]1CN(c2nccnc2OC(F)F)CCN1S(C)(=O)=O ZINC000289692969 221158885 /nfs/dbraw/zinc/15/88/85/221158885.db2.gz QKMFQJXSTOGWKP-QMMMGPOBSA-N 0 0 322.337 0.548 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@@H]1COC2(CN(C)C2)CN1C ZINC000248151600 257108605 /nfs/dbraw/zinc/10/86/05/257108605.db2.gz XPWUOGUHLQUIHU-AWEZNQCLSA-N 0 0 304.394 0.055 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2N1C ZINC000248070548 257109636 /nfs/dbraw/zinc/10/96/36/257109636.db2.gz XMPDNYPEAADFMI-FPMFFAJLSA-N 0 0 305.378 0.787 10 0 DCAERN CCS(=O)(=O)N1C[C@@H]2OC[C@@H](Cc3nc(C)no3)[C@@H]2C1 ZINC000248026105 257110623 /nfs/dbraw/zinc/11/06/23/257110623.db2.gz NVJNXBHJZLXSAP-VWYCJHECSA-N 0 0 301.368 0.217 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)c2ocnc2C)C3)n1 ZINC000248058036 257110676 /nfs/dbraw/zinc/11/06/76/257110676.db2.gz ZAZQQGBRGKRTRE-HZMBPMFUSA-N 0 0 304.306 0.715 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)c2ncccn2)C3)n1 ZINC000248022163 257111050 /nfs/dbraw/zinc/11/10/50/257111050.db2.gz JIXFYFSSLPQNBW-HZMBPMFUSA-N 0 0 301.306 0.208 10 0 DCAERN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2c2ccc(C)nn2)O1 ZINC000247949752 257113015 /nfs/dbraw/zinc/11/30/15/257113015.db2.gz XWPKSHJXXRZIPU-IHRRRGAJSA-N 0 0 320.393 0.674 10 0 DCAERN O=C1CCCN1C[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12 ZINC000247813172 257116976 /nfs/dbraw/zinc/11/69/76/257116976.db2.gz CALKIOYGHYQUOF-WXHSDQCUSA-N 0 0 306.341 0.689 10 0 DCAERN O=C([C@@H]1CN(Cc2ccoc2)Cc2cncn21)N1CCOCC1 ZINC000247804951 257118272 /nfs/dbraw/zinc/11/82/72/257118272.db2.gz AEBSIFZEQYMTLG-HNNXBMFYSA-N 0 0 316.361 0.892 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(Cc3ccncc3)C[C@H]21 ZINC000247548037 257118933 /nfs/dbraw/zinc/11/89/33/257118933.db2.gz VCWRJUAASAUJAV-ZIAGYGMSSA-N 0 0 311.407 0.316 10 0 DCAERN Cc1cnc(C(=O)N2C[C@@H]3CN(CC4CC4)C(=O)[C@@H]3C2)cn1 ZINC000253600950 257104589 /nfs/dbraw/zinc/10/45/89/257104589.db2.gz FCCXWWBBSDOWQU-QWHCGFSZSA-N 0 0 300.362 0.725 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCC1(CO)CCC1 ZINC000331891907 533401640 /nfs/dbraw/zinc/40/16/40/533401640.db2.gz AKVDXIOLYPAGIO-QWRGUYRKSA-N 0 0 305.396 0.410 10 0 DCAERN CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CC1=O ZINC000127557958 285448208 /nfs/dbraw/zinc/44/82/08/285448208.db2.gz CKGRQQPHYPQJNE-YIYPIFLZSA-N 0 0 310.394 0.650 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CCO1 ZINC000275643967 130353068 /nfs/dbraw/zinc/35/30/68/130353068.db2.gz NVWLCRAKZZUNEG-HZSPNIEDSA-N 0 0 321.425 0.986 10 0 DCAERN O=C([C@@H]1CCCCO1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275683754 130362538 /nfs/dbraw/zinc/36/25/38/130362538.db2.gz MNGZNSHLDSKFHQ-LBPRGKRZSA-N 0 0 316.365 0.342 10 0 DCAERN Cc1ccc(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)s1 ZINC000283907977 131032074 /nfs/dbraw/zinc/03/20/74/131032074.db2.gz GFIHVJULZIZHRV-HNNXBMFYSA-N 0 0 324.402 0.691 10 0 DCAERN Cc1c(S(=O)(=O)N2CCO[C@H](CO)C2)c2ccccc2n1C ZINC000284212261 131059326 /nfs/dbraw/zinc/05/93/26/131059326.db2.gz IEJSIFXRQYYERD-LBPRGKRZSA-N 0 0 324.402 0.869 10 0 DCAERN Cc1c(S(=O)(=O)N2CCO[C@@H](CO)C2)c2ccccc2n1C ZINC000284210294 131059634 /nfs/dbraw/zinc/05/96/34/131059634.db2.gz IEJSIFXRQYYERD-GFCCVEGCSA-N 0 0 324.402 0.869 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000284230570 131061500 /nfs/dbraw/zinc/06/15/00/131061500.db2.gz VSMQUKGWIDYXHH-KGLIPLIRSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(=O)[nH]1 ZINC000284530787 131089768 /nfs/dbraw/zinc/08/97/68/131089768.db2.gz PBDZHBSBQMJYCU-OLZOCXBDSA-N 0 0 305.378 0.949 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284697009 131104753 /nfs/dbraw/zinc/10/47/53/131104753.db2.gz ZNOQEVLWXCPECG-KWQFWETISA-N 0 0 300.790 0.711 10 0 DCAERN COC(=O)c1sc(N2CCC[C@@](O)(C(N)=O)C2)nc1Cl ZINC000284700248 131105666 /nfs/dbraw/zinc/10/56/66/131105666.db2.gz SNBFJHXONFPGFJ-NSHDSACASA-N 0 0 319.770 0.400 10 0 DCAERN C[C@H]1OCCN(Cc2ccn(-c3ccccc3)n2)[C@@H]1C(N)=O ZINC000284717151 131106866 /nfs/dbraw/zinc/10/68/66/131106866.db2.gz VOFYEAKPKQQJFS-DOMZBBRYSA-N 0 0 300.362 0.947 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000284804356 131112564 /nfs/dbraw/zinc/11/25/64/131112564.db2.gz KSWJOMPMEMVSFV-SGMGOOAPSA-N 0 0 322.361 0.236 10 0 DCAERN COc1ccc(F)cc1C(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284843016 131115147 /nfs/dbraw/zinc/11/51/47/131115147.db2.gz PVRWBOZSYCMTHN-CQSZACIVSA-N 0 0 306.297 0.686 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cccc(F)c2F)C1 ZINC000284950850 131125495 /nfs/dbraw/zinc/12/54/95/131125495.db2.gz JVCUHYWDSWGVCL-CBAPKCEASA-N 0 0 320.317 0.228 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H]1C(N)=O ZINC000285644450 131188789 /nfs/dbraw/zinc/18/87/89/131188789.db2.gz UDGIZFPHQCINGM-IUODEOHRSA-N 0 0 317.389 0.717 10 0 DCAERN O=C([C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1)N1CCCC1 ZINC000014054198 395689042 /nfs/dbraw/zinc/68/90/42/395689042.db2.gz GUKZSSMRIQSEJF-LBPRGKRZSA-N 0 0 303.362 0.850 10 0 DCAERN O=C(CN1CSCC1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000023307729 395692391 /nfs/dbraw/zinc/69/23/91/395692391.db2.gz YKKCUNFTHYNELD-UHFFFAOYSA-N 0 0 322.390 0.390 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)N(C)C)cc1C ZINC000008096447 395684040 /nfs/dbraw/zinc/68/40/40/395684040.db2.gz RYVZDJXEVYBRGF-UHFFFAOYSA-N 0 0 305.378 0.580 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)N3CC[C@H](C)[C@@H](O)C3)cnc12 ZINC000089400677 395710921 /nfs/dbraw/zinc/71/09/21/395710921.db2.gz LGGMEZKUZBFCCL-FZMZJTMJSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C[C@H]1O ZINC000089407622 395710923 /nfs/dbraw/zinc/71/09/23/395710923.db2.gz XMGHOOKBJXURQE-XKVFNRALSA-N 0 0 317.389 0.830 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1O ZINC000089408186 395710962 /nfs/dbraw/zinc/71/09/62/395710962.db2.gz HHGSKBLYNUWRLL-IAQYHMDHSA-N 0 0 301.346 0.626 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H](C)[C@H](O)C3)nc2n1 ZINC000089429734 395711755 /nfs/dbraw/zinc/71/17/55/395711755.db2.gz SUVQNTALRGGMQN-JOYOIKCWSA-N 0 0 303.366 0.513 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)o1 ZINC000089427139 395711799 /nfs/dbraw/zinc/71/17/99/395711799.db2.gz PVHRIYJOYLVARD-RKDXNWHRSA-N 0 0 302.352 0.031 10 0 DCAERN CO[C@@H]1C[C@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H](CO)O1 ZINC000035645067 395721336 /nfs/dbraw/zinc/72/13/36/395721336.db2.gz MXBHVTZBVDMMDC-AJNGGQMLSA-N 0 0 323.345 0.470 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC(O)CC1 ZINC000035612151 395721409 /nfs/dbraw/zinc/72/14/09/395721409.db2.gz DJKKJOIBXBKYLM-UHFFFAOYSA-N 0 0 317.363 0.828 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](C)[C@@H](O)C3)cnc12 ZINC000091083409 395721807 /nfs/dbraw/zinc/72/18/07/395721807.db2.gz BQZVIZNMFYARRV-MFKMUULPSA-N 0 0 301.346 0.846 10 0 DCAERN C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccnc1 ZINC000028878347 395696301 /nfs/dbraw/zinc/69/63/01/395696301.db2.gz KBVOKWHTAQSPBW-NSHDSACASA-N 0 0 324.340 0.962 10 0 DCAERN Cc1cc(Br)c2c(c1)c(=O)oc(=O)n2CC(N)=O ZINC000039289025 395732559 /nfs/dbraw/zinc/73/25/59/395732559.db2.gz KQIYMDMIRPQBAJ-UHFFFAOYSA-N 0 0 313.107 0.511 10 0 DCAERN O=C(c1cccnc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000037142019 395726288 /nfs/dbraw/zinc/72/62/88/395726288.db2.gz HLLXHFSHIBFBAF-AWEZNQCLSA-N 0 0 303.362 0.793 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000092412517 395730875 /nfs/dbraw/zinc/73/08/75/395730875.db2.gz SNSYFPMSJVMMAP-QWHCGFSZSA-N 0 0 319.409 0.616 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000042647155 395747462 /nfs/dbraw/zinc/74/74/62/395747462.db2.gz FHUHGYFPXMALAX-ZDUSSCGKSA-N 0 0 315.333 0.830 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC(=O)N2CCCC2)C1 ZINC000044326147 395755956 /nfs/dbraw/zinc/75/59/56/395755956.db2.gz ZEFLQBNJBHIZNW-RYUDHWBXSA-N 0 0 303.428 0.421 10 0 DCAERN CC(C)[C@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000043066698 395751759 /nfs/dbraw/zinc/75/17/59/395751759.db2.gz SWQGRBQWPLZFFS-ZDUSSCGKSA-N 0 0 324.425 0.507 10 0 DCAERN CCc1noc([C@H](C)N2CCN(Cc3nncn3C)CC2)n1 ZINC000105865498 395780964 /nfs/dbraw/zinc/78/09/64/395780964.db2.gz RQKYUJNHSVNSFO-NSHDSACASA-N 0 0 305.386 0.639 10 0 DCAERN CC(C)NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046886006 395781976 /nfs/dbraw/zinc/78/19/76/395781976.db2.gz UAWZSSQQQNMWFL-UHFFFAOYSA-N 0 0 312.395 0.506 10 0 DCAERN CC[C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938961 395782596 /nfs/dbraw/zinc/78/25/96/395782596.db2.gz BSYWSFIBVGBGDD-BDAKNGLRSA-N 0 0 305.425 0.990 10 0 DCAERN CS[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000106383676 395782793 /nfs/dbraw/zinc/78/27/93/395782793.db2.gz JOLBZRHXWOHZNS-AMIZFAKSSA-N 0 0 320.363 0.889 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC000194047700 395787023 /nfs/dbraw/zinc/78/70/23/395787023.db2.gz SPBMXSVQYAEEBC-UHFFFAOYSA-N 0 0 322.409 0.940 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000194082245 395787363 /nfs/dbraw/zinc/78/73/63/395787363.db2.gz KIPOHVCSYANOPV-MWLCHTKSSA-N 0 0 315.337 0.308 10 0 DCAERN CN1C(=O)Cc2cc(NC(=O)N[C@H]3CCC(=O)N(C)C3)ccc21 ZINC000194103364 395788695 /nfs/dbraw/zinc/78/86/95/395788695.db2.gz NQZRFGBTLIVPDZ-LBPRGKRZSA-N 0 0 316.361 0.948 10 0 DCAERN COc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NS(C)(=O)=O ZINC000097942227 395761485 /nfs/dbraw/zinc/76/14/85/395761485.db2.gz JPOHANRTEXMACQ-GVXVVHGQSA-N 0 0 324.402 0.847 10 0 DCAERN CN1C(=O)Cc2cc(NC(=O)NC[C@@H]3CN(C)CCO3)ccc21 ZINC000194134777 395789348 /nfs/dbraw/zinc/78/93/48/395789348.db2.gz TWEVOBGRYQRKFZ-CYBMUJFWSA-N 0 0 318.377 0.658 10 0 DCAERN COCCN(C(=O)NCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000193549609 395772142 /nfs/dbraw/zinc/77/21/42/395772142.db2.gz GCOPCFZLMSZGQP-LLVKDONJSA-N 0 0 306.428 0.878 10 0 DCAERN CC(C)NC(=O)CCN1CCN(CC(=O)N2CCCC2)CC1 ZINC000046503168 395777656 /nfs/dbraw/zinc/77/76/56/395777656.db2.gz QAADJPWTNJYDQQ-UHFFFAOYSA-N 0 0 310.442 0.141 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000193750641 395778164 /nfs/dbraw/zinc/77/81/64/395778164.db2.gz ACBNEEMJICZRNT-DGCLKSJQSA-N 0 0 318.377 0.240 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000194633217 395802830 /nfs/dbraw/zinc/80/28/30/395802830.db2.gz WLCBRBFWYWMKJP-HOTGVXAUSA-N 0 0 319.405 0.701 10 0 DCAERN O=C(CS(=O)(=O)c1ncccc1Cl)NC[C@H]1CCCO1 ZINC000047961927 395804711 /nfs/dbraw/zinc/80/47/11/395804711.db2.gz JISVOPFHJRGKKN-SECBINFHSA-N 0 0 318.782 0.804 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@](O)(C(F)(F)F)C2)c(=O)c1 ZINC000194746891 395806973 /nfs/dbraw/zinc/80/69/73/395806973.db2.gz AMNJHWKHFDHSFX-GFCCVEGCSA-N 0 0 304.268 0.682 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c(=O)c1 ZINC000194763931 395807761 /nfs/dbraw/zinc/80/77/61/395807761.db2.gz BVBUFBULSDYLED-CQSZACIVSA-N 0 0 305.378 0.090 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000111556659 395808801 /nfs/dbraw/zinc/80/88/01/395808801.db2.gz HQQAAUPZKYINMV-UHFFFAOYSA-N 0 0 316.361 0.773 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)NCc2ccnn2C)c1 ZINC000111451197 395809084 /nfs/dbraw/zinc/80/90/84/395809084.db2.gz YGHMXXDMZLTXNV-CQSZACIVSA-N 0 0 304.350 0.962 10 0 DCAERN O=C(NCCCCO)c1cnn2cc(Br)cnc12 ZINC000195010899 395813312 /nfs/dbraw/zinc/81/33/12/395813312.db2.gz OEFAYGIOYOJMDQ-UHFFFAOYSA-N 0 0 313.155 0.994 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195049702 395814231 /nfs/dbraw/zinc/81/42/31/395814231.db2.gz MQALDILYVKUBJW-CYBMUJFWSA-N 0 0 322.413 0.325 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195049680 395814311 /nfs/dbraw/zinc/81/43/11/395814311.db2.gz MQALDILYVKUBJW-ZDUSSCGKSA-N 0 0 322.413 0.325 10 0 DCAERN O=C(CCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCC[C@H]1O ZINC000048524082 395816529 /nfs/dbraw/zinc/81/65/29/395816529.db2.gz CHSVACQCGHTHRB-SYQHCUMBSA-N 0 0 312.410 0.606 10 0 DCAERN CC(C)CN(C1CC1)S(=O)(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000225392423 395859160 /nfs/dbraw/zinc/85/91/60/395859160.db2.gz NJYUFJNYIUEHMN-LLVKDONJSA-N 0 0 309.453 0.871 10 0 DCAERN COC(=O)C1=[N+]([O-])O[C@@H](C(=O)OC)[C@H]1c1c[nH]c2ccccc21 ZINC000225385551 395859163 /nfs/dbraw/zinc/85/91/63/395859163.db2.gz PKXQSVAMHZSAJN-WCQYABFASA-O 0 0 319.293 0.754 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270898415 395820483 /nfs/dbraw/zinc/82/04/83/395820483.db2.gz QWHMAEYWQYKHSO-QWRGUYRKSA-N 0 0 303.366 0.524 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CC(c2ccccc2)=NO1 ZINC000112650955 395820693 /nfs/dbraw/zinc/82/06/93/395820693.db2.gz UWMORWSFUTVXGD-GXTWGEPZSA-N 0 0 311.345 0.902 10 0 DCAERN CC1(CNC(=O)NCCNC(=O)c2ccc(F)cc2)COC1 ZINC000112720297 395822220 /nfs/dbraw/zinc/82/22/20/395822220.db2.gz JKPWIHQMLBIGDW-UHFFFAOYSA-N 0 0 309.341 0.891 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1C ZINC000112895059 395825562 /nfs/dbraw/zinc/82/55/62/395825562.db2.gz SBBSFWIYSPHQRR-MNOVXSKESA-N 0 0 304.350 0.544 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@]1(O)CCSC1 ZINC000270966255 395827179 /nfs/dbraw/zinc/82/71/79/395827179.db2.gz IHFVUWNXXVIZFX-SMDDNHRTSA-N 0 0 308.407 0.430 10 0 DCAERN CCn1cc(C2CCN(Cc3nc(N)nc(N)n3)CC2)cn1 ZINC000195499906 395829731 /nfs/dbraw/zinc/82/97/31/395829731.db2.gz GPAMNUDWTFVCRC-UHFFFAOYSA-N 0 0 302.386 0.632 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)N3CCNC3=O)C2)no1 ZINC000195517849 395830256 /nfs/dbraw/zinc/83/02/56/395830256.db2.gz NVFDVVFLWGPPEX-LLVKDONJSA-N 0 0 307.354 0.184 10 0 DCAERN COCCN1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000195514178 395830585 /nfs/dbraw/zinc/83/05/85/395830585.db2.gz NWYGJNFUFHPXBA-UHFFFAOYSA-N 0 0 310.398 0.728 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518137 395830863 /nfs/dbraw/zinc/83/08/63/395830863.db2.gz JPVMSZLLRWWQTN-CMPLNLGQSA-N 0 0 324.381 0.310 10 0 DCAERN C[C@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)N(C)C ZINC000195507227 395830894 /nfs/dbraw/zinc/83/08/94/395830894.db2.gz IGVQQYOQGQEADI-NSHDSACASA-N 0 0 307.398 0.182 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000198355904 395832912 /nfs/dbraw/zinc/83/29/12/395832912.db2.gz BAOSNPGPVXGVMU-ZDUSSCGKSA-N 0 0 324.469 0.576 10 0 DCAERN Cc1cc(Nc2cc(N[C@H](C)C(N)=O)cnc2C(N)=O)sn1 ZINC000210855854 395835470 /nfs/dbraw/zinc/83/54/70/395835470.db2.gz BVFVCLXRPIFKAG-SSDOTTSWSA-N 0 0 320.378 0.975 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C)CC1)C2=O ZINC000050079709 395836255 /nfs/dbraw/zinc/83/62/55/395836255.db2.gz VEPQPGMPUGIPOP-UHFFFAOYSA-N 0 0 322.409 0.261 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115575 395860307 /nfs/dbraw/zinc/86/03/07/395860307.db2.gz QZKDCLIPPOLNDW-GFCCVEGCSA-N 0 0 309.341 0.519 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)CCNC(N)=O)CC1 ZINC000115717869 395840813 /nfs/dbraw/zinc/84/08/13/395840813.db2.gz JBYDNBSHDSEKBF-UHFFFAOYSA-N 0 0 324.356 0.541 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCCN3CCOCC3)C2)cn1 ZINC000116519755 395844573 /nfs/dbraw/zinc/84/45/73/395844573.db2.gz LWOIJCIXORRKTF-CQSZACIVSA-N 0 0 321.425 0.641 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC000116780101 395845611 /nfs/dbraw/zinc/84/56/11/395845611.db2.gz LJYKSZIIWCBKEB-AWEZNQCLSA-N 0 0 319.409 0.756 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000116832396 395847133 /nfs/dbraw/zinc/84/71/33/395847133.db2.gz IZFRGRBNZPBIGD-CQSZACIVSA-N 0 0 308.403 0.939 10 0 DCAERN COC(=O)c1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116892343 395848439 /nfs/dbraw/zinc/84/84/39/395848439.db2.gz VAIDZUMMLWYPHN-ZDUSSCGKSA-N 0 0 312.391 0.597 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n(C)n1 ZINC000117007793 395850786 /nfs/dbraw/zinc/85/07/86/395850786.db2.gz JHNKLRFKSOSVBH-SNVBAGLBSA-N 0 0 315.399 0.138 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000117815280 395855018 /nfs/dbraw/zinc/85/50/18/395855018.db2.gz JVBANKVWKGMRPD-CYBMUJFWSA-N 0 0 316.361 0.949 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000194359382 395794852 /nfs/dbraw/zinc/79/48/52/395794852.db2.gz MORRGKUJXLKNHQ-UHFFFAOYSA-N 0 0 316.361 0.374 10 0 DCAERN NC(=O)c1cnc(N2CCO[C@@H](Cn3cccn3)C2)c(Cl)c1 ZINC000108949846 395795435 /nfs/dbraw/zinc/79/54/35/395795435.db2.gz CMCYZNVQTSWDHE-LLVKDONJSA-N 0 0 321.768 0.936 10 0 DCAERN CN1CCO[C@@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 ZINC000108945646 395795461 /nfs/dbraw/zinc/79/54/61/395795461.db2.gz UOWMBBPRYDWZMU-JTQLQIEISA-N 0 0 320.397 0.617 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nccn1C(F)F ZINC000194601869 395800440 /nfs/dbraw/zinc/80/04/40/395800440.db2.gz QLRNPZRKHXGOIT-QMMMGPOBSA-N 0 0 304.322 0.816 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1cccn1C ZINC000234580824 395888668 /nfs/dbraw/zinc/88/86/68/395888668.db2.gz ZKXZJPHIPHGBDL-NEPJUHHUSA-N 0 0 300.380 0.786 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000122731416 395888901 /nfs/dbraw/zinc/88/89/01/395888901.db2.gz KZLIDTLWVLTBLT-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCn1cccc1 ZINC000234617066 395890029 /nfs/dbraw/zinc/89/00/29/395890029.db2.gz QXDSDAMNHPSAMW-VXGBXAGGSA-N 0 0 300.380 0.749 10 0 DCAERN CCC[C@@](C)(O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000122884505 395890297 /nfs/dbraw/zinc/89/02/97/395890297.db2.gz UWXBYYLMKWYQLT-OAHLLOKOSA-N 0 0 308.382 0.685 10 0 DCAERN CC1(C)CN(C(=O)NCCn2ccnc2)CCS1(=O)=O ZINC000123069646 395891796 /nfs/dbraw/zinc/89/17/96/395891796.db2.gz QQKMVVVDYIEWOZ-UHFFFAOYSA-N 0 0 300.384 0.102 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNC(=O)CC1 ZINC000054258112 395896201 /nfs/dbraw/zinc/89/62/01/395896201.db2.gz CUOFZUDVSZZYQM-HNNXBMFYSA-N 0 0 317.389 0.125 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)CCO)cc1 ZINC000123612848 395896345 /nfs/dbraw/zinc/89/63/45/395896345.db2.gz ZITURACBZSIOTC-JTQLQIEISA-N 0 0 301.364 0.451 10 0 DCAERN CCCCN(C)C(=O)C1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000236704659 395897049 /nfs/dbraw/zinc/89/70/49/395897049.db2.gz LMUQCFGAGRIEOB-CQSZACIVSA-N 0 0 311.426 0.472 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCNCC2)c(Cl)c1 ZINC000237250721 395908610 /nfs/dbraw/zinc/90/86/10/395908610.db2.gz MYWPZHSVVAZGAJ-UHFFFAOYSA-N 0 0 318.782 0.721 10 0 DCAERN CCc1nnc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)o1 ZINC000054994411 395908891 /nfs/dbraw/zinc/90/88/91/395908891.db2.gz VYTPHCOLQQIMBJ-GFCCVEGCSA-N 0 0 308.382 0.703 10 0 DCAERN Cn1nnc2cc(C(=O)NCc3cn4c(n3)CCCC4)cnc21 ZINC000273281842 395911504 /nfs/dbraw/zinc/91/15/04/395911504.db2.gz HALQZZCVHQGTMM-UHFFFAOYSA-N 0 0 311.349 0.826 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000126294657 395911765 /nfs/dbraw/zinc/91/17/65/395911765.db2.gz UOZPPWNMUXTBCY-CYBMUJFWSA-N 0 0 317.349 0.578 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000056017307 395926142 /nfs/dbraw/zinc/92/61/42/395926142.db2.gz BTBJDKQBOVEZEW-ONGXEEELSA-N 0 0 317.345 0.744 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCOc3cc(F)ccc32)C1 ZINC000118533416 395862957 /nfs/dbraw/zinc/86/29/57/395862957.db2.gz HKHYWEYKFHWKBU-LLVKDONJSA-N 0 0 321.352 0.748 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N(CC(N)=O)[C@H](C)c1ccccc1 ZINC000119200665 395868296 /nfs/dbraw/zinc/86/82/96/395868296.db2.gz UNISTLRGCOWZQA-WXHSDQCUSA-N 0 0 304.346 0.871 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1c(F)cccc1F ZINC000119312035 395869059 /nfs/dbraw/zinc/86/90/59/395869059.db2.gz QQKMAXLBSFMFJJ-SNVBAGLBSA-N 0 0 315.320 0.779 10 0 DCAERN C[C@@H](CCNS(=O)(=O)c1ccc(N)cc1F)[S@@](C)=O ZINC000229778531 395876449 /nfs/dbraw/zinc/87/64/49/395876449.db2.gz IOIMDTGFUXQXJD-DCXZOGHSSA-N 0 0 308.400 0.843 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000119844355 395877586 /nfs/dbraw/zinc/87/75/86/395877586.db2.gz HROQMDOUTYAKAI-LBPRGKRZSA-N 0 0 312.395 0.060 10 0 DCAERN CCS(=O)(=O)NCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248832525 395998270 /nfs/dbraw/zinc/99/82/70/395998270.db2.gz LNKZWIJPGSQEQP-XQQFMLRXSA-N 0 0 318.439 0.589 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135051895 395936986 /nfs/dbraw/zinc/93/69/86/395936986.db2.gz HATNIDHERVWROR-SNVBAGLBSA-N 0 0 303.370 0.629 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@](O)(C(N)=O)C2)cc1 ZINC000276456180 395998861 /nfs/dbraw/zinc/99/88/61/395998861.db2.gz NUHQUORKTORYEJ-QLJPJBMISA-N 0 0 319.361 0.138 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135288972 395938918 /nfs/dbraw/zinc/93/89/18/395938918.db2.gz HLACNALNYGAXDL-LBPRGKRZSA-N 0 0 300.366 0.917 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](CC)CCO ZINC000246172949 395943043 /nfs/dbraw/zinc/94/30/43/395943043.db2.gz FTXNFAYYPVZMCT-CHWSQXEVSA-N 0 0 320.455 0.715 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000246346179 395948218 /nfs/dbraw/zinc/94/82/18/395948218.db2.gz FHZIVNIIXFIUCX-JYILRKAJSA-N 0 0 304.346 0.700 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CCCN1c1nccs1 ZINC000246629478 395954219 /nfs/dbraw/zinc/95/42/19/395954219.db2.gz VJIVBJPVIQVOBK-QWRGUYRKSA-N 0 0 318.406 0.835 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H](C)COC)C[C@H]1CC ZINC000246664665 395955097 /nfs/dbraw/zinc/95/50/97/395955097.db2.gz HDWKYXUPWOTPTB-ZIAGYGMSSA-N 0 0 322.471 0.784 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000274520382 395955341 /nfs/dbraw/zinc/95/53/41/395955341.db2.gz SDBBKZXODYQFNC-CHWSQXEVSA-N 0 0 305.382 0.700 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CCN(CC(F)F)CC1 ZINC000139684844 395955318 /nfs/dbraw/zinc/95/53/18/395955318.db2.gz FGPBEOUTZUPJQC-JTQLQIEISA-N 0 0 304.341 0.247 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)CO ZINC000246865117 395959505 /nfs/dbraw/zinc/95/95/05/395959505.db2.gz UKLLUAFDWXETCX-IJLUTSLNSA-N 0 0 306.428 0.324 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246977132 395962483 /nfs/dbraw/zinc/96/24/83/395962483.db2.gz JKYYWHQUPDQQDU-QWHCGFSZSA-N 0 0 306.428 0.436 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000246974870 395962645 /nfs/dbraw/zinc/96/26/45/395962645.db2.gz ZQODBRASYPWWCR-SDDRHHMPSA-N 0 0 307.398 0.974 10 0 DCAERN CCOC(OCC)[C@@](O)(CO)[C@@H](O)c1ccc(OC)cc1 ZINC000145295913 395963957 /nfs/dbraw/zinc/96/39/57/395963957.db2.gz JYZUPSTWTSBMNO-DZGCQCFKSA-N 0 0 300.351 0.851 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 ZINC000247120859 395966653 /nfs/dbraw/zinc/96/66/53/395966653.db2.gz WTMIDZQQESGCCS-WXHSDQCUSA-N 0 0 307.350 0.522 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)[C@H]1CCCO1 ZINC000247163177 395967691 /nfs/dbraw/zinc/96/76/91/395967691.db2.gz QHBRZXCNXZGDJV-IRCOFANPSA-N 0 0 304.412 0.771 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C)cc1 ZINC000149325830 395969443 /nfs/dbraw/zinc/96/94/43/395969443.db2.gz LZFYTXNWONUNOR-ZWNOBZJWSA-N 0 0 313.375 0.858 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C)cc1 ZINC000149326034 395969528 /nfs/dbraw/zinc/96/95/28/395969528.db2.gz LZFYTXNWONUNOR-GXFFZTMASA-N 0 0 313.375 0.858 10 0 DCAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)CN1CCOCC1 ZINC000150716620 395971209 /nfs/dbraw/zinc/97/12/09/395971209.db2.gz GFEJDIDISCLSJJ-CHWSQXEVSA-N 0 0 323.393 0.482 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247320998 395971456 /nfs/dbraw/zinc/97/14/56/395971456.db2.gz IQOSVINPAPFOOJ-XQQFMLRXSA-N 0 0 316.361 0.570 10 0 DCAERN Cn1cc(-c2csc(NC(=O)CSCC(N)=O)n2)cn1 ZINC000150730002 395971555 /nfs/dbraw/zinc/97/15/55/395971555.db2.gz VAOUDRLWXLIWGM-UHFFFAOYSA-N 0 0 311.392 0.701 10 0 DCAERN Cc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(N)=O)C2=O)cc1 ZINC000150887515 395973890 /nfs/dbraw/zinc/97/38/90/395973890.db2.gz QOQXQCNLROMJGE-ZYHUDNBSSA-N 0 0 304.350 0.273 10 0 DCAERN C[C@@H]1CCN(Cc2nc(N)nc(N(C)C)n2)C[C@H]1n1ccnc1 ZINC000247779300 395978766 /nfs/dbraw/zinc/97/87/66/395978766.db2.gz XHNMYSNMNCDQOS-VXGBXAGGSA-N 0 0 316.413 0.799 10 0 DCAERN CCCN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000063678941 395980157 /nfs/dbraw/zinc/98/01/57/395980157.db2.gz QOZGCPVGMCGQJA-JTQLQIEISA-N 0 0 309.391 0.982 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)nn1-c1ccccc1 ZINC000152138273 396001320 /nfs/dbraw/zinc/00/13/20/396001320.db2.gz GAMBDOGTUUALSC-GFCCVEGCSA-N 0 0 312.329 0.716 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1=O ZINC000247982538 395981448 /nfs/dbraw/zinc/98/14/48/395981448.db2.gz MZQZRHPHCLWOSG-JKIFEVAISA-N 0 0 324.421 0.635 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCCN(c2cccnn2)CC1 ZINC000151379827 395984366 /nfs/dbraw/zinc/98/43/66/395984366.db2.gz MUQPEJWFIGZUPP-UHFFFAOYSA-N 0 0 313.427 0.574 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000151403746 395984900 /nfs/dbraw/zinc/98/49/00/395984900.db2.gz FBVHVGWHNLVZNE-WOPDTQHZSA-N 0 0 306.370 0.119 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N2CCN(CCO)CC2)c1 ZINC000151526508 395987414 /nfs/dbraw/zinc/98/74/14/395987414.db2.gz LKCZSXWSIORKLO-UHFFFAOYSA-N 0 0 320.393 0.811 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000276325302 395989358 /nfs/dbraw/zinc/98/93/58/395989358.db2.gz OCMOHMDQEOKSQB-NSHDSACASA-N 0 0 322.745 0.090 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248572511 395989947 /nfs/dbraw/zinc/98/99/47/395989947.db2.gz GLICCVHSGHTYJZ-JJRVBVJISA-N 0 0 323.437 0.886 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](CO)SC ZINC000248621804 395991061 /nfs/dbraw/zinc/99/10/61/395991061.db2.gz AVPCEJLWGKVMIX-XQQFMLRXSA-N 0 0 304.456 0.716 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCn1cnc2ccccc2c1=O ZINC000151918201 395996853 /nfs/dbraw/zinc/99/68/53/395996853.db2.gz IYMHCELDJHDBIG-NWDGAFQWSA-N 0 0 303.362 0.920 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NCC(F)(F)F ZINC000248771896 395996953 /nfs/dbraw/zinc/99/69/53/395996953.db2.gz ALGWMPOSZKBDSS-QXEWZRGKSA-N 0 0 308.300 0.938 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971176 395997185 /nfs/dbraw/zinc/99/71/85/395997185.db2.gz XUDOJVREMLTHPU-SNVBAGLBSA-N 0 0 321.303 0.898 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000151959002 395997208 /nfs/dbraw/zinc/99/72/08/395997208.db2.gz HZRVLSYQWGGBQO-ZJUUUORDSA-N 0 0 300.380 0.341 10 0 DCAERN COc1ccccc1N1CC[C@H](N2CCNC(=O)[C@H]2C)C1=O ZINC000248799442 395997783 /nfs/dbraw/zinc/99/77/83/395997783.db2.gz ZUWQALOLMNMBEQ-YPMHNXCESA-N 0 0 303.362 0.621 10 0 DCAERN O=C(NCCN1CCOCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000153279926 396023078 /nfs/dbraw/zinc/02/30/78/396023078.db2.gz IFEQTCLEPAWTNX-CQSZACIVSA-N 0 0 307.398 0.979 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000252662495 396023813 /nfs/dbraw/zinc/02/38/13/396023813.db2.gz ZSOAXOZYOOOQCY-IJLUTSLNSA-N 0 0 304.412 0.704 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@]3(O)CCSC3)CCO2)cn1 ZINC000276832716 396031039 /nfs/dbraw/zinc/03/10/39/396031039.db2.gz LBKQYWKIUNPNLZ-GXTWGEPZSA-N 0 0 311.407 0.671 10 0 DCAERN C[C@@H](Oc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154119409 396031189 /nfs/dbraw/zinc/03/11/89/396031189.db2.gz FGTKTFCHBWPRFN-KGLIPLIRSA-N 0 0 308.378 0.263 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(F)cc1Cl ZINC000154118247 396031209 /nfs/dbraw/zinc/03/12/09/396031209.db2.gz PGSRANHHEKFBDX-NSHDSACASA-N 0 0 316.760 0.902 10 0 DCAERN CCOc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154109895 396031616 /nfs/dbraw/zinc/03/16/16/396031616.db2.gz FSDIJVHHJLGKHD-CQSZACIVSA-N 0 0 308.378 0.508 10 0 DCAERN Cc1cccc(OCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154124498 396032352 /nfs/dbraw/zinc/03/23/52/396032352.db2.gz CMQMEPXODBSLHZ-AWEZNQCLSA-N 0 0 308.378 0.183 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154364841 396037722 /nfs/dbraw/zinc/03/77/22/396037722.db2.gz NGSCZWFMSXUZKV-LBPRGKRZSA-N 0 0 302.382 0.861 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@]3(O)CCSC3)no2)c1 ZINC000154836705 396043213 /nfs/dbraw/zinc/04/32/13/396043213.db2.gz KRWQQXUJDLASGR-AWEZNQCLSA-N 0 0 322.390 0.826 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2cscn2)CC1 ZINC000261856822 396072481 /nfs/dbraw/zinc/07/24/81/396072481.db2.gz ADSZUEPZSSKGCA-LLVKDONJSA-N 0 0 316.377 0.785 10 0 DCAERN C[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCS1(=O)=O ZINC000155409031 396051137 /nfs/dbraw/zinc/05/11/37/396051137.db2.gz OQDSVYQLULYDJP-GFCCVEGCSA-N 0 0 317.432 0.579 10 0 DCAERN C[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCS1(=O)=O ZINC000155672544 396055836 /nfs/dbraw/zinc/05/58/36/396055836.db2.gz VIOVJXZCJNSZHW-SNVBAGLBSA-N 0 0 300.424 0.410 10 0 DCAERN O=C(Cn1ncc(I)cc1=O)NC1CC1 ZINC000158597513 396064903 /nfs/dbraw/zinc/06/49/03/396064903.db2.gz CGYIZZOOVIOQIU-UHFFFAOYSA-N 0 0 319.102 0.127 10 0 DCAERN CC(C)NC(=O)Cn1ncc(I)cc1=O ZINC000158597672 396065004 /nfs/dbraw/zinc/06/50/04/396065004.db2.gz JAPITYWFLXRROW-UHFFFAOYSA-N 0 0 321.118 0.373 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000069113103 396069987 /nfs/dbraw/zinc/06/99/87/396069987.db2.gz QTXZYIMXXWSGEF-GHMZBOCLSA-N 0 0 324.402 0.991 10 0 DCAERN O=C(CN1CCOC[C@]12CCOC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000249607148 396010216 /nfs/dbraw/zinc/01/02/16/396010216.db2.gz RLEKOCPAYZRXIT-HLLBOEOZSA-N 0 0 324.421 0.648 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000249653486 396011411 /nfs/dbraw/zinc/01/14/11/396011411.db2.gz YWGARRGGYKQTSL-JHJVBQTASA-N 0 0 306.428 0.004 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000249853967 396013115 /nfs/dbraw/zinc/01/31/15/396013115.db2.gz CSEZDOMOZHXUNI-NXEZZACHSA-N 0 0 312.395 0.669 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000251933862 396018515 /nfs/dbraw/zinc/01/85/15/396018515.db2.gz UCMGPKSCCQYWDO-WOPDTQHZSA-N 0 0 306.428 0.876 10 0 DCAERN CCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)C2 ZINC000069652133 396086218 /nfs/dbraw/zinc/08/62/18/396086218.db2.gz OJGQMTSSWCMUJO-SNVBAGLBSA-N 0 0 303.366 0.194 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCOCC3)C2)n(C)n1 ZINC000277782429 396086605 /nfs/dbraw/zinc/08/66/05/396086605.db2.gz GQQLFWGRAGRORG-ZDUSSCGKSA-N 0 0 307.398 0.739 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CCn1cncn1 ZINC000261990669 396087231 /nfs/dbraw/zinc/08/72/31/396087231.db2.gz OZDUMHJXTHYDAQ-AWEZNQCLSA-N 0 0 315.377 0.850 10 0 DCAERN COC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)cc1[O-] ZINC000168390462 396089654 /nfs/dbraw/zinc/08/96/54/396089654.db2.gz SDEVHROUMFWCDU-UHFFFAOYSA-N 0 0 306.274 0.742 10 0 DCAERN CC(C)CCC(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O ZINC000169779378 396091768 /nfs/dbraw/zinc/09/17/68/396091768.db2.gz DJXAYLHFOCZCTM-UHFFFAOYSA-N 0 0 316.423 0.628 10 0 DCAERN CNC(=O)c1cc[nH]c1[C@@H]1CCCN(C(=O)NCCOC)C1 ZINC000169789365 396093310 /nfs/dbraw/zinc/09/33/10/396093310.db2.gz PDOHTCLKMXMNPN-LLVKDONJSA-N 0 0 308.382 0.910 10 0 DCAERN O[C@H](COCc1ccco1)CN1CCO[C@H](Cn2cncn2)C1 ZINC000069969417 396096105 /nfs/dbraw/zinc/09/61/05/396096105.db2.gz YJPVEXXILYLQJC-ZFWWWQNUSA-N 0 0 322.365 0.150 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(Nc2nccn(C)c2=O)CC1 ZINC000278019469 396100881 /nfs/dbraw/zinc/10/08/81/396100881.db2.gz OXYDFSIBZLPZNY-UHFFFAOYSA-N 0 0 314.411 0.395 10 0 DCAERN COC(C)(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000170961543 396102284 /nfs/dbraw/zinc/10/22/84/396102284.db2.gz SRGREPRMMKGXDY-UHFFFAOYSA-N 0 0 314.407 0.978 10 0 DCAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCCOC1 ZINC000170937019 396102399 /nfs/dbraw/zinc/10/23/99/396102399.db2.gz YXKKPZZPEHZCHK-GFCCVEGCSA-N 0 0 312.391 0.650 10 0 DCAERN O=C(NCCc1ccccn1)N1CCN(c2cccnn2)CC1 ZINC000171002281 396103189 /nfs/dbraw/zinc/10/31/89/396103189.db2.gz WPQHYHHQKSJEFV-UHFFFAOYSA-N 0 0 312.377 0.946 10 0 DCAERN O=C(NCCCNC(=O)C1CCC1)N[C@H]1CCc2ncnn2C1 ZINC000175787820 396142063 /nfs/dbraw/zinc/14/20/63/396142063.db2.gz ILUFTCVKQZGUME-LBPRGKRZSA-N 0 0 320.397 0.199 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000171096334 396106102 /nfs/dbraw/zinc/10/61/02/396106102.db2.gz GMYOXSGDEZVRGR-JTQLQIEISA-N 0 0 323.422 0.542 10 0 DCAERN Cn1ncc2c1nc(N1CCN(C(=O)C(C)(C)C)CC1)nc2N ZINC000278139278 396108240 /nfs/dbraw/zinc/10/82/40/396108240.db2.gz ANOFYQSYWNQIJC-UHFFFAOYSA-N 0 0 317.397 0.640 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)NCc1ccnn1C ZINC000071062903 396109365 /nfs/dbraw/zinc/10/93/65/396109365.db2.gz PGQOZRAANHWWHT-UHFFFAOYSA-N 0 0 303.322 0.469 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(Cc2noc(CN)n2)CC1 ZINC000262194045 396109961 /nfs/dbraw/zinc/10/99/61/396109961.db2.gz JXFIRTLNGUYWAD-UHFFFAOYSA-N 0 0 319.413 0.196 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)NCc1cccnc1-n1ccnc1 ZINC000171417547 396117025 /nfs/dbraw/zinc/11/70/25/396117025.db2.gz VMOXOFQDIJPATL-ZDUSSCGKSA-N 0 0 322.390 0.866 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CCS1 ZINC000171575679 396118860 /nfs/dbraw/zinc/11/88/60/396118860.db2.gz AKZNCLBJLBCPOB-QWRGUYRKSA-N 0 0 306.453 0.764 10 0 DCAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCS(=O)(=O)CC1 ZINC000171588757 396119375 /nfs/dbraw/zinc/11/93/75/396119375.db2.gz UNKDXLKELBMFOI-GFCCVEGCSA-N 0 0 310.375 0.950 10 0 DCAERN [NH3+]C1(C(=O)N2CCN(Cc3ccccn3)CC2)CCOCC1 ZINC000262298383 396119508 /nfs/dbraw/zinc/11/95/08/396119508.db2.gz OEGIJFLCLJQRQC-UHFFFAOYSA-N 0 0 304.394 0.234 10 0 DCAERN CN(CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ncnc2nc[nH]c21 ZINC000171586595 396119882 /nfs/dbraw/zinc/11/98/82/396119882.db2.gz QDKNWWAWILGENH-LLVKDONJSA-N 0 0 315.381 0.096 10 0 DCAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171624101 396120862 /nfs/dbraw/zinc/12/08/62/396120862.db2.gz HVUAFKBAMDUCAU-LBPRGKRZSA-N 0 0 315.333 0.501 10 0 DCAERN C[C@@H](CNC(=O)NCc1cccc(CO)c1)N1CCOCC1 ZINC000171620412 396120865 /nfs/dbraw/zinc/12/08/65/396120865.db2.gz QEHJZNSWUSHKTC-ZDUSSCGKSA-N 0 0 307.394 0.699 10 0 DCAERN CC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171638168 396121373 /nfs/dbraw/zinc/12/13/73/396121373.db2.gz OFNRYTWWNSORLQ-DOMZBBRYSA-N 0 0 307.398 0.906 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3COCCO3)CCO2)n1 ZINC000171859453 396126781 /nfs/dbraw/zinc/12/67/81/396126781.db2.gz HMMOGVWFEJUEIH-UONOGXRCSA-N 0 0 309.366 0.143 10 0 DCAERN O=C(NCCCOCC(F)(F)F)N[C@H]1CCc2ncnn2C1 ZINC000171867692 396126946 /nfs/dbraw/zinc/12/69/46/396126946.db2.gz QVSNHMUOZQCQIC-VIFPVBQESA-N 0 0 321.303 0.861 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)CCc2ccccc2O)CCO1 ZINC000172134121 396128495 /nfs/dbraw/zinc/12/84/95/396128495.db2.gz QRCRYPHJMFDBJJ-CQSZACIVSA-N 0 0 306.362 0.688 10 0 DCAERN CC(=O)NC[C@@H]1CN(C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185032 396129786 /nfs/dbraw/zinc/12/97/86/396129786.db2.gz HPFOFWMEWJCUDE-NVXWUHKLSA-N 0 0 322.405 0.572 10 0 DCAERN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccon1)N1CCCC1 ZINC000072534424 396131415 /nfs/dbraw/zinc/13/14/15/396131415.db2.gz GHCXMLWFHLIQCX-LBPRGKRZSA-N 0 0 307.350 0.918 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)N[C@@H]1CCCCNC1=O ZINC000072559955 396132547 /nfs/dbraw/zinc/13/25/47/396132547.db2.gz WVPJWBYUFVIIFW-LLVKDONJSA-N 0 0 315.337 0.453 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000072795402 396135923 /nfs/dbraw/zinc/13/59/23/396135923.db2.gz MOSJBGRBCCZTKZ-NSHDSACASA-N 0 0 312.414 0.552 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1N1CCOCC1 ZINC000173979717 396137012 /nfs/dbraw/zinc/13/70/12/396137012.db2.gz FEFAYASBNHMTBE-XJKSGUPXSA-N 0 0 318.421 0.940 10 0 DCAERN CN(C(=O)CN1CC[C@H](N2CCOCC2)C1)c1nccs1 ZINC000173949277 396137060 /nfs/dbraw/zinc/13/70/60/396137060.db2.gz VDQXGZPZXIRGPA-LBPRGKRZSA-N 0 0 310.423 0.512 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000173971081 396137092 /nfs/dbraw/zinc/13/70/92/396137092.db2.gz NNDGEMGOYKPQBU-WFASDCNBSA-N 0 0 317.389 0.578 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000175574307 396140578 /nfs/dbraw/zinc/14/05/78/396140578.db2.gz FMBIJUJLZKXBMM-ZFWWWQNUSA-N 0 0 324.402 0.668 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000162513028 396080989 /nfs/dbraw/zinc/08/09/89/396080989.db2.gz QEXIMCXFJAEGFX-ZDUSSCGKSA-N 0 0 304.394 0.680 10 0 DCAERN COC(=O)NCCC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162577801 396082248 /nfs/dbraw/zinc/08/22/48/396082248.db2.gz GSDXWDVRPIHAOK-UHFFFAOYSA-N 0 0 308.382 0.947 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000162981190 396085216 /nfs/dbraw/zinc/08/52/16/396085216.db2.gz RTDXIBGDABIZNU-QWHCGFSZSA-N 0 0 315.439 0.551 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000263228096 396207492 /nfs/dbraw/zinc/20/74/92/396207492.db2.gz NBODRWNARKBHRK-MNOVXSKESA-N 0 0 300.309 0.108 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000175963598 396146880 /nfs/dbraw/zinc/14/68/80/396146880.db2.gz YIFNSJXIYRGQTC-HNNXBMFYSA-N 0 0 324.425 0.353 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176094456 396149732 /nfs/dbraw/zinc/14/97/32/396149732.db2.gz LIHOUBQOVPHPCC-KWQFWETISA-N 0 0 319.287 0.302 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(C)(C)C(N)=O ZINC000073752552 396150124 /nfs/dbraw/zinc/15/01/24/396150124.db2.gz BAEKAQXUYYQUOI-SECBINFHSA-N 0 0 309.414 0.779 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCCNC(=O)C1CC1 ZINC000176286413 396153870 /nfs/dbraw/zinc/15/38/70/396153870.db2.gz XLRASWGKFFVEFO-LBPRGKRZSA-N 0 0 305.382 0.844 10 0 DCAERN CS(=O)(=O)NCCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000176309195 396154111 /nfs/dbraw/zinc/15/41/11/396154111.db2.gz SFPSJSKTKTXHGP-UHFFFAOYSA-N 0 0 320.361 0.953 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000177217311 396169299 /nfs/dbraw/zinc/16/92/99/396169299.db2.gz OABHMSRDRULSJY-ZETCQYMHSA-N 0 0 322.308 0.868 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000074746191 396171215 /nfs/dbraw/zinc/17/12/15/396171215.db2.gz GXDYEGPPNFDBSG-LBPRGKRZSA-N 0 0 319.409 0.969 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccnc1N1CCOCC1)C(C)C ZINC000178845181 396211087 /nfs/dbraw/zinc/21/10/87/396211087.db2.gz JEKBHVDPKASDAL-CYBMUJFWSA-N 0 0 320.393 0.419 10 0 DCAERN CN(CCCNC(=O)CSC[C@H](O)CO)c1ccccc1 ZINC000177433270 396175435 /nfs/dbraw/zinc/17/54/35/396175435.db2.gz FMIUEZIAWLJATB-CQSZACIVSA-N 0 0 312.435 0.716 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626236 396180169 /nfs/dbraw/zinc/18/01/69/396180169.db2.gz WVHZPYVCJJFKOI-GFCCVEGCSA-N 0 0 313.361 0.910 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633307 396180436 /nfs/dbraw/zinc/18/04/36/396180436.db2.gz RSIBFPSNRIVBGZ-NSHDSACASA-N 0 0 317.324 0.795 10 0 DCAERN Cn1c(=O)cc(CN2CCO[C@@H](c3cccs3)C2)n(C)c1=O ZINC000177745737 396182297 /nfs/dbraw/zinc/18/22/97/396182297.db2.gz DBJRUHPNSVBNCR-GFCCVEGCSA-N 0 0 321.402 0.719 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNC(=O)CNC(=O)c1ccccn1 ZINC000178872761 396211639 /nfs/dbraw/zinc/21/16/39/396211639.db2.gz HJXPWKGMCNZBDW-AWEZNQCLSA-N 0 0 307.394 0.971 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000075940813 396190309 /nfs/dbraw/zinc/19/03/09/396190309.db2.gz ZACOCIZFGIWEDQ-ZDUSSCGKSA-N 0 0 310.375 0.616 10 0 DCAERN CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178872485 396211946 /nfs/dbraw/zinc/21/19/46/396211946.db2.gz HCYPAFUSQRZLRJ-GFCCVEGCSA-N 0 0 314.407 0.813 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000262942856 396193101 /nfs/dbraw/zinc/19/31/01/396193101.db2.gz IYCWUTMSYLRXOM-RYUDHWBXSA-N 0 0 300.305 0.842 10 0 DCAERN O=C(CCNC(=O)[C@H]1CC(F)(F)CN1)NCc1ccccc1 ZINC000262975795 396195459 /nfs/dbraw/zinc/19/54/59/396195459.db2.gz MGRMQMRCZLDIBN-GFCCVEGCSA-N 0 0 311.332 0.806 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)C1(S(C)(=O)=O)CCC1 ZINC000280379668 396196704 /nfs/dbraw/zinc/19/67/04/396196704.db2.gz PISLPPDLDPSGLJ-UHFFFAOYSA-N 0 0 308.363 0.944 10 0 DCAERN O=C(CCNC(=O)[C@H]1CC(F)(F)CN1)NC1CCCCC1 ZINC000263009426 396197854 /nfs/dbraw/zinc/19/78/54/396197854.db2.gz PNVVBQBNZJEWJE-LLVKDONJSA-N 0 0 303.353 0.939 10 0 DCAERN CC[C@H]1CN(c2ccccc2)CCN1CC(=O)NCC(=O)OC ZINC000184006811 396281001 /nfs/dbraw/zinc/28/10/01/396281001.db2.gz POWUACKEGSBEOZ-AWEZNQCLSA-N 0 0 319.405 0.876 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)[C@@H]2CCCc3n[nH]cc32)cn1 ZINC000181382329 396238887 /nfs/dbraw/zinc/23/88/87/396238887.db2.gz KKBCDLRGIFIPSH-IUODEOHRSA-N 0 0 314.393 0.736 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)Cn1cnc2ccccc2c1=O ZINC000181686368 396241458 /nfs/dbraw/zinc/24/14/58/396241458.db2.gz WBHLZUFORYKISA-CWKPULSASA-N 0 0 307.375 0.280 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cccs2)cn1 ZINC000181692385 396241584 /nfs/dbraw/zinc/24/15/84/396241584.db2.gz XYLKUDHGJZYCDE-LLVKDONJSA-N 0 0 312.420 0.817 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cccc2cccnc21 ZINC000181779314 396242353 /nfs/dbraw/zinc/24/23/53/396242353.db2.gz VCVLSJXEDBPQCQ-UHFFFAOYSA-N 0 0 324.344 0.971 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)C2CCOCC2)CC1 ZINC000181998188 396244932 /nfs/dbraw/zinc/24/49/32/396244932.db2.gz KTNFQOAWWLLGOJ-DZGCQCFKSA-N 0 0 313.442 0.900 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@@H]1CCC[C@@H]1O ZINC000078497781 396245901 /nfs/dbraw/zinc/24/59/01/396245901.db2.gz RJOLQVYISIWDQE-ONGXEEELSA-N 0 0 305.338 0.572 10 0 DCAERN O=C(CCNC(=O)NCCCn1ccnn1)N1CCCCC1 ZINC000182212489 396247664 /nfs/dbraw/zinc/24/76/64/396247664.db2.gz SPQPGOKLIDKAFE-UHFFFAOYSA-N 0 0 308.386 0.370 10 0 DCAERN Cc1cc2c(cc1F)ncn(C[C@@H](O)CN1CCOCC1)c2=O ZINC000182318307 396249554 /nfs/dbraw/zinc/24/95/54/396249554.db2.gz NGBVXEGNXMEMFP-LBPRGKRZSA-N 0 0 321.352 0.537 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@H]1c2ccccc2C[C@H]1O ZINC000182466314 396250608 /nfs/dbraw/zinc/25/06/08/396250608.db2.gz RZZYFOPGTRFOLV-KGLIPLIRSA-N 0 0 301.350 0.626 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000182466273 396250916 /nfs/dbraw/zinc/25/09/16/396250916.db2.gz RZZYFOPGTRFOLV-ZIAGYGMSSA-N 0 0 301.350 0.626 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2CC(=O)NCC2(C)C)cn1 ZINC000281968138 396252912 /nfs/dbraw/zinc/25/29/12/396252912.db2.gz JTZMIZPLHNMPBZ-UHFFFAOYSA-N 0 0 300.384 0.363 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1 ZINC000182986926 396258218 /nfs/dbraw/zinc/25/82/18/396258218.db2.gz ALTVVCZHCXMKAE-CRCLSJGQSA-N 0 0 307.232 0.209 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282077871 396261222 /nfs/dbraw/zinc/26/12/22/396261222.db2.gz CHCPYCYIFQTKCA-LLVKDONJSA-N 0 0 313.357 0.802 10 0 DCAERN CC(C)OCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000183095998 396261302 /nfs/dbraw/zinc/26/13/02/396261302.db2.gz DIPHBQGCMIQNCC-UHFFFAOYSA-N 0 0 317.349 0.951 10 0 DCAERN Cc1cc2ncc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c(C)n2n1 ZINC000282117662 396264451 /nfs/dbraw/zinc/26/44/51/396264451.db2.gz GFKVEDCLHDLVOD-JTQLQIEISA-N 0 0 301.350 0.649 10 0 DCAERN CN1CCc2ccc(NC(=O)N[C@@H]3CCC(=O)NC3=O)cc21 ZINC000183328517 396267462 /nfs/dbraw/zinc/26/74/62/396267462.db2.gz JVHHXSBQHMNPLS-LLVKDONJSA-N 0 0 302.334 0.606 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000264302047 396268540 /nfs/dbraw/zinc/26/85/40/396268540.db2.gz VEMUAJDVOYMMNA-NWDGAFQWSA-N 0 0 317.349 0.853 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000183580043 396271429 /nfs/dbraw/zinc/27/14/29/396271429.db2.gz ZPMXRBHCLCPAIE-LLVKDONJSA-N 0 0 303.366 0.487 10 0 DCAERN CCNC(=O)NC(=O)CN1CCCN(c2ccccn2)CC1 ZINC000183777761 396274518 /nfs/dbraw/zinc/27/45/18/396274518.db2.gz PDQTWUITAJXBGG-UHFFFAOYSA-N 0 0 305.382 0.439 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000184073245 396283287 /nfs/dbraw/zinc/28/32/87/396283287.db2.gz YTAAAMRROHDZOG-HUUCEWRRSA-N 0 0 317.389 0.902 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)Cn1cncn1 ZINC000077251120 396216164 /nfs/dbraw/zinc/21/61/64/396216164.db2.gz FPRSORINCVXHGD-NSHDSACASA-N 0 0 311.345 0.910 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCN(C)C3=O)no2)c1 ZINC000178945874 396216163 /nfs/dbraw/zinc/21/61/63/396216163.db2.gz GLEYBJZUFIAAPQ-LLVKDONJSA-N 0 0 303.322 0.188 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(C)C ZINC000179127653 396222114 /nfs/dbraw/zinc/22/21/14/396222114.db2.gz VDMJBVXGMDKMFR-HNNXBMFYSA-N 0 0 315.373 0.957 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183015 396224299 /nfs/dbraw/zinc/22/42/99/396224299.db2.gz OXZGHSXXWCWRMM-BDAKNGLRSA-N 0 0 308.363 0.779 10 0 DCAERN O=C(NCCCc1ccccn1)N[C@H]1CCc2ncnn2C1 ZINC000179231135 396224672 /nfs/dbraw/zinc/22/46/72/396224672.db2.gz KKZPSOGQPVXCFK-ZDUSSCGKSA-N 0 0 300.366 0.920 10 0 DCAERN CC(=O)CCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000184942853 396311620 /nfs/dbraw/zinc/31/16/20/396311620.db2.gz YMJMTXIUFSILGV-CYBMUJFWSA-N 0 0 316.423 0.772 10 0 DCAERN Cc1cnc([C@H](C)NCC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000185008504 396314184 /nfs/dbraw/zinc/31/41/84/396314184.db2.gz KXXILQQOECENCN-WDEREUQCSA-N 0 0 310.423 0.826 10 0 DCAERN Nc1nccnc1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185032180 396315066 /nfs/dbraw/zinc/31/50/66/396315066.db2.gz JEQNNADYGOPTPQ-LLVKDONJSA-N 0 0 312.333 0.379 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1F)NCCCn1ccnn1 ZINC000185080185 396316861 /nfs/dbraw/zinc/31/68/61/396316861.db2.gz FNPBVVXQSVOKMG-UHFFFAOYSA-N 0 0 323.303 0.493 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2ccccc2C)C1 ZINC000185092748 396317662 /nfs/dbraw/zinc/31/76/62/396317662.db2.gz ZBEILNOQYAAEHB-AWEZNQCLSA-N 0 0 308.378 0.182 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184095251 396285040 /nfs/dbraw/zinc/28/50/40/396285040.db2.gz WOYPVTBLCMSWHZ-UHFFFAOYSA-N 0 0 309.391 0.840 10 0 DCAERN O=C(NCc1ncc(-c2ccccc2)cn1)C1CC(=O)NC(=O)C1 ZINC000184139973 396286982 /nfs/dbraw/zinc/28/69/82/396286982.db2.gz IMICKCZGLOHPMF-UHFFFAOYSA-N 0 0 324.340 0.813 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCC(F)(F)CO ZINC000184232812 396288435 /nfs/dbraw/zinc/28/84/35/396288435.db2.gz VEXXOJOFLJEWKG-UHFFFAOYSA-N 0 0 301.293 0.343 10 0 DCAERN O=C(NC[C@H](O)CO)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184252529 396289227 /nfs/dbraw/zinc/28/92/27/396289227.db2.gz BSCTWDIDLYSVPL-QWRGUYRKSA-N 0 0 306.284 0.812 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)NCC(F)(F)CO ZINC000184274218 396289435 /nfs/dbraw/zinc/28/94/35/396289435.db2.gz VXGIVVRULLVZKP-UHFFFAOYSA-N 0 0 311.292 0.694 10 0 DCAERN O=S(=O)(N1CCO[C@]2(CCOC2)C1)N1CCCCCC1 ZINC000184301349 396289863 /nfs/dbraw/zinc/28/98/63/396289863.db2.gz DEAREMOLZQPHPY-CYBMUJFWSA-N 0 0 304.412 0.599 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657604 396291316 /nfs/dbraw/zinc/29/13/16/396291316.db2.gz VDHSEVFOTHEYCJ-CPCISQLKSA-N 0 0 304.318 0.910 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2nc3ccccn3n2)C1 ZINC000184418473 396294689 /nfs/dbraw/zinc/29/46/89/396294689.db2.gz IYRZLMVLRCATMC-ZJUUUORDSA-N 0 0 302.338 0.895 10 0 DCAERN O=S(=O)(N[C@H]1CCCC[C@H]1n1cccn1)N1CCOCC1 ZINC000081187342 396295248 /nfs/dbraw/zinc/29/52/48/396295248.db2.gz PHMRWFKRDPEJFQ-QWHCGFSZSA-N 0 0 314.411 0.533 10 0 DCAERN COC[C@]1(C)NC(=O)N(Cc2cc(-c3cnn(C)c3)no2)C1=O ZINC000184430095 396295298 /nfs/dbraw/zinc/29/52/98/396295298.db2.gz WWBBXZFZOWHFMH-AWEZNQCLSA-N 0 0 319.321 0.532 10 0 DCAERN O=C(NCC(F)(F)CO)N[C@H]1CCCN(c2ncccn2)C1 ZINC000184473103 396295850 /nfs/dbraw/zinc/29/58/50/396295850.db2.gz GXHMDVVDSWFYOP-JTQLQIEISA-N 0 0 315.324 0.372 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474684 396296644 /nfs/dbraw/zinc/29/66/44/396296644.db2.gz DGNNAKCGMOCTMC-GFCCVEGCSA-N 0 0 309.366 0.496 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000283003533 396298365 /nfs/dbraw/zinc/29/83/65/396298365.db2.gz VUMJUVUHRGYEQU-JTQLQIEISA-N 0 0 305.382 0.774 10 0 DCAERN CCN(Cc1cccc(F)c1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185169277 396320490 /nfs/dbraw/zinc/32/04/90/396320490.db2.gz FOZYYMRCCIOQCW-CABCVRRESA-N 0 0 310.369 0.602 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000184803229 396307241 /nfs/dbraw/zinc/30/72/41/396307241.db2.gz STYREGYMWKPFBQ-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185174102 396320604 /nfs/dbraw/zinc/32/06/04/396320604.db2.gz UITLMOBCJWUFIU-NXEZZACHSA-N 0 0 318.826 0.787 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc12 ZINC000265364708 396310263 /nfs/dbraw/zinc/31/02/63/396310263.db2.gz YOPAKCGAOPXNPR-JTQLQIEISA-N 0 0 323.378 0.030 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000185404129 396326807 /nfs/dbraw/zinc/32/68/07/396326807.db2.gz FYNJOLOFBRXUNW-AWEZNQCLSA-N 0 0 305.378 0.312 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1Cc1cc(=O)n2ccsc2n1 ZINC000185961157 396338540 /nfs/dbraw/zinc/33/85/40/396338540.db2.gz ZOAOFEDGCJQCHV-CQSZACIVSA-N 0 0 306.391 0.986 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCS(=O)(=O)[C@H](C)C1 ZINC000186232717 396345476 /nfs/dbraw/zinc/34/54/76/396345476.db2.gz PMAQWNDUGQBYFR-SNVBAGLBSA-N 0 0 315.395 0.216 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC000186138422 396341751 /nfs/dbraw/zinc/34/17/51/396341751.db2.gz VKRCIHUREWNPDZ-LBPRGKRZSA-N 0 0 324.425 0.506 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCc3cnn(C)c3C)CC2)n[nH]1 ZINC000186767264 396357360 /nfs/dbraw/zinc/35/73/60/396357360.db2.gz TVIUSUGGDXLXDG-UHFFFAOYSA-N 0 0 317.397 0.792 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000186912353 396359692 /nfs/dbraw/zinc/35/96/92/396359692.db2.gz QSAOWVMVWDFTQE-YGRLFVJLSA-N 0 0 314.345 0.959 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)cs1 ZINC000187006900 396361716 /nfs/dbraw/zinc/36/17/16/396361716.db2.gz UAPRLULKOLKNEF-NSHDSACASA-N 0 0 320.378 0.506 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)NCC(F)(F)F)CC2)n[nH]1 ZINC000187268288 396365749 /nfs/dbraw/zinc/36/57/49/396365749.db2.gz XMNRBJNMXUZNBM-SNVBAGLBSA-N 0 0 319.331 0.907 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000187490042 396370633 /nfs/dbraw/zinc/37/06/33/396370633.db2.gz MMIKPAIBDHJVHU-CQSZACIVSA-N 0 0 306.362 0.729 10 0 DCAERN CCc1cccc(S(=O)(=O)N2CC(NC(=O)COC)C2)c1 ZINC000187712576 396372643 /nfs/dbraw/zinc/37/26/43/396372643.db2.gz AQLQKKSKUVNFLQ-UHFFFAOYSA-N 0 0 312.391 0.385 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cnc2nc(C)ccc2c1O ZINC000186431841 396349973 /nfs/dbraw/zinc/34/99/73/396349973.db2.gz YZTOTPDOVGIFEZ-UHFFFAOYSA-N 0 0 302.334 0.852 10 0 DCAERN CNC(=O)CC(=O)NCc1nccn1CCc1ccccc1 ZINC000187792258 396374146 /nfs/dbraw/zinc/37/41/46/396374146.db2.gz VTUJLUBDGNGPEY-UHFFFAOYSA-N 0 0 300.362 0.878 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2coc(Br)c2)C1 ZINC000285742204 396352378 /nfs/dbraw/zinc/35/23/78/396352378.db2.gz YZEAUEXIWOZUQJ-LLVKDONJSA-N 0 0 317.139 0.495 10 0 DCAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3nocc3C)CC2)n[nH]1 ZINC000188327662 396381239 /nfs/dbraw/zinc/38/12/39/396381239.db2.gz HBPDJBFTPCCDDR-UHFFFAOYSA-N 0 0 318.337 0.302 10 0 DCAERN Cc1nc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(C)s1 ZINC000269750298 396443076 /nfs/dbraw/zinc/44/30/76/396443076.db2.gz CVQKUGDBVICNFZ-UHFFFAOYSA-N 0 0 310.423 0.782 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC000286235048 396382775 /nfs/dbraw/zinc/38/27/75/396382775.db2.gz KONCQFLCQDIODN-YOEHRIQHSA-N 0 0 318.373 0.869 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)C1 ZINC000188591352 396383702 /nfs/dbraw/zinc/38/37/02/396383702.db2.gz DHZQDNLJYLVVPA-ZDUSSCGKSA-N 0 0 304.394 0.680 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000188655496 396384332 /nfs/dbraw/zinc/38/43/32/396384332.db2.gz SUCHTVDLMLCVGM-HUUCEWRRSA-N 0 0 320.364 0.955 10 0 DCAERN O=C(CCCNC(=O)N1CC(NC(=O)C2CCC2)C1)NC1CC1 ZINC000188804403 396386643 /nfs/dbraw/zinc/38/66/43/396386643.db2.gz NEOHCCPVUOJPFU-UHFFFAOYSA-N 0 0 322.409 0.355 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1CCO ZINC000188811085 396387369 /nfs/dbraw/zinc/38/73/69/396387369.db2.gz QIMPSKXWCFVXQC-WFASDCNBSA-N 0 0 318.373 0.293 10 0 DCAERN Cc1nc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)no1 ZINC000188935489 396388774 /nfs/dbraw/zinc/38/87/74/396388774.db2.gz OAHKOMMTNAZKHG-JTQLQIEISA-N 0 0 311.386 0.365 10 0 DCAERN COCCOCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000188999022 396389848 /nfs/dbraw/zinc/38/98/48/396389848.db2.gz OCOJZRISYZIWMY-UHFFFAOYSA-N 0 0 302.334 0.836 10 0 DCAERN NC(=O)CSCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189000654 396390012 /nfs/dbraw/zinc/39/00/12/396390012.db2.gz ADUZCOHYEMQGND-UHFFFAOYSA-N 0 0 317.374 0.392 10 0 DCAERN COCCN1CCCN(C(=O)CCCc2nc(C)no2)CC1=O ZINC000189055540 396390459 /nfs/dbraw/zinc/39/04/59/396390459.db2.gz IVGYHWCAQAILJZ-UHFFFAOYSA-N 0 0 324.381 0.408 10 0 DCAERN CN(C)c1noc(C2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000189055972 396390474 /nfs/dbraw/zinc/39/04/74/396390474.db2.gz UQEKDAAHVSGHNR-UHFFFAOYSA-N 0 0 300.384 0.807 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000189179063 396391035 /nfs/dbraw/zinc/39/10/35/396391035.db2.gz JWSNOMNLRWZOQT-LBPRGKRZSA-N 0 0 314.411 0.349 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000189220564 396392207 /nfs/dbraw/zinc/39/22/07/396392207.db2.gz LHMUDWVFORPMEM-ZDUSSCGKSA-N 0 0 316.427 0.863 10 0 DCAERN c1nc(N2CCOCC2)cc(N2CCO[C@@]3(CCCOC3)C2)n1 ZINC000286393681 396392394 /nfs/dbraw/zinc/39/23/94/396392394.db2.gz GVHIXGQWIKVPPZ-INIZCTEOSA-N 0 0 320.393 0.699 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCOc1cccc(F)c1 ZINC000189297804 396392536 /nfs/dbraw/zinc/39/25/36/396392536.db2.gz FBLRTDUDQFVXMA-GFCCVEGCSA-N 0 0 323.368 0.531 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)CC1=O ZINC000189311142 396393441 /nfs/dbraw/zinc/39/34/41/396393441.db2.gz SDRCEKWBGZLWEJ-OCCSQVGLSA-N 0 0 310.394 0.699 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000193079841 396443787 /nfs/dbraw/zinc/44/37/87/396443787.db2.gz PNUDQUYWQVBMCF-NWDGAFQWSA-N 0 0 305.382 0.390 10 0 DCAERN COCc1cc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)no1 ZINC000189722176 396397930 /nfs/dbraw/zinc/39/79/30/396397930.db2.gz AFBQYHKUKUPLKI-UHFFFAOYSA-N 0 0 305.338 0.815 10 0 DCAERN CCN1CN(C(=O)NC2CCN(c3ccccn3)CC2)CC1=O ZINC000189771887 396398768 /nfs/dbraw/zinc/39/87/68/396398768.db2.gz GHIKEDHNICLFQE-UHFFFAOYSA-N 0 0 317.393 0.882 10 0 DCAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCN(C2CC2)CC1 ZINC000193110241 396444048 /nfs/dbraw/zinc/44/40/48/396444048.db2.gz UDFSNFDWJCHMMQ-UHFFFAOYSA-N 0 0 308.769 0.980 10 0 DCAERN CN1CCCN(C(=O)CCCNC(=O)c2ccsc2)CC1=O ZINC000189791615 396399516 /nfs/dbraw/zinc/39/95/16/396399516.db2.gz JCXIUMQWTIVUQS-UHFFFAOYSA-N 0 0 323.418 0.949 10 0 DCAERN CN1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1=O ZINC000189803378 396399580 /nfs/dbraw/zinc/39/95/80/396399580.db2.gz HKHZFYSMIPEEDA-UHFFFAOYSA-N 0 0 316.404 0.456 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000189974489 396401259 /nfs/dbraw/zinc/40/12/59/396401259.db2.gz JRKOBFCJHLNAIW-AWEZNQCLSA-N 0 0 319.409 0.266 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC2=O)cc1 ZINC000190006689 396401704 /nfs/dbraw/zinc/40/17/04/396401704.db2.gz JAVZKOIAALDXDL-NSHDSACASA-N 0 0 310.375 0.694 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1nc(-c2ccncc2)no1 ZINC000189972816 396401777 /nfs/dbraw/zinc/40/17/77/396401777.db2.gz QJHWUTAYEKFAEO-KOLCDFICSA-N 0 0 324.362 0.728 10 0 DCAERN CCN1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1=O ZINC000190213529 396402730 /nfs/dbraw/zinc/40/27/30/396402730.db2.gz IUZJIXHPAACRNL-LSDHHAIUSA-N 0 0 323.437 0.711 10 0 DCAERN COCCn1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)n1 ZINC000190167788 396402957 /nfs/dbraw/zinc/40/29/57/396402957.db2.gz CKBHWYSEGLXHDQ-LLVKDONJSA-N 0 0 318.381 0.948 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCCN(C)C(=O)C2)c1C ZINC000190363068 396405865 /nfs/dbraw/zinc/40/58/65/396405865.db2.gz ZRVDFFKEBWMIFQ-UHFFFAOYSA-N 0 0 307.350 0.722 10 0 DCAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190367841 396405957 /nfs/dbraw/zinc/40/59/57/396405957.db2.gz SHIPVWSOVJFMCS-LBPRGKRZSA-N 0 0 304.346 0.957 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)CCOC)CC2)[nH]1 ZINC000190487617 396407096 /nfs/dbraw/zinc/40/70/96/396407096.db2.gz FPJBQMVWINWCCU-UHFFFAOYSA-N 0 0 302.400 0.523 10 0 DCAERN CCN1CN(C(=O)Cc2cccc(OCCOC)c2)CC1=O ZINC000190509980 396407120 /nfs/dbraw/zinc/40/71/20/396407120.db2.gz IPXVVIUHCSFMKL-UHFFFAOYSA-N 0 0 306.362 0.903 10 0 DCAERN CCc1nc(C2CCN([C@H](C)C(=O)NC(=O)NC)CC2)n[nH]1 ZINC000190670941 396409613 /nfs/dbraw/zinc/40/96/13/396409613.db2.gz AXKDMUJQPDKYKF-SECBINFHSA-N 0 0 308.386 0.391 10 0 DCAERN COCCN1CCCN(CC(=O)N(C)Cc2ccco2)CC1=O ZINC000190755554 396411277 /nfs/dbraw/zinc/41/12/77/396411277.db2.gz RZVQGELWAVNCPG-UHFFFAOYSA-N 0 0 323.393 0.419 10 0 DCAERN COCCN1CCCN(Cc2nnc(C(C)C)n2C)CC1=O ZINC000190801958 396411680 /nfs/dbraw/zinc/41/16/80/396411680.db2.gz UMJFDLIGTNKFDZ-UHFFFAOYSA-N 0 0 309.414 0.619 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccncn3)CCO2)[nH]1 ZINC000191267008 396417438 /nfs/dbraw/zinc/41/74/38/396417438.db2.gz PZXFKEGBYJDCRC-GFCCVEGCSA-N 0 0 302.338 0.436 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCN1CCOCC1(C)C ZINC000191413387 396418691 /nfs/dbraw/zinc/41/86/91/396418691.db2.gz VDXYULSTCZUFLD-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191427163 396418877 /nfs/dbraw/zinc/41/88/77/396418877.db2.gz FFAKQJMJQDNXLC-GXFFZTMASA-N 0 0 321.425 0.888 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000191435144 396419671 /nfs/dbraw/zinc/41/96/71/396419671.db2.gz FRXZBUYJLQWFPF-LBPRGKRZSA-N 0 0 313.317 0.717 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000191518090 396420701 /nfs/dbraw/zinc/42/07/01/396420701.db2.gz IZMPFMCBGOSQTM-CHWSQXEVSA-N 0 0 317.393 0.580 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000191518129 396420905 /nfs/dbraw/zinc/42/09/05/396420905.db2.gz IZMPFMCBGOSQTM-STQMWFEESA-N 0 0 317.393 0.580 10 0 DCAERN Cn1cc([C@@H]2CSCCN2C(=O)CCc2nnc[nH]2)cn1 ZINC000192008467 396427622 /nfs/dbraw/zinc/42/76/22/396427622.db2.gz GEQXUCSGVJPPHO-NSHDSACASA-N 0 0 306.395 0.788 10 0 DCAERN Cc1ccc(CS(=O)(=O)NC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000192018965 396428404 /nfs/dbraw/zinc/42/84/04/396428404.db2.gz NLVPSGUBUQHZBG-CYBMUJFWSA-N 0 0 316.398 0.884 10 0 DCAERN Cc1cccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000192652519 396433813 /nfs/dbraw/zinc/43/38/13/396433813.db2.gz XUBLPZKWGVSFTN-MRXNPFEDSA-N 0 0 316.361 0.608 10 0 DCAERN O=C1NC(=O)[C@@]2(CCCN(Cc3nc(C4CCCC4)no3)C2)N1 ZINC000192642199 396433830 /nfs/dbraw/zinc/43/38/30/396433830.db2.gz VTLMRCFWKGQTIB-HNNXBMFYSA-N 0 0 319.365 0.901 10 0 DCAERN Cn1c(N[C@@H]2CCCCC[C@H]2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000288302458 396446174 /nfs/dbraw/zinc/44/61/74/396446174.db2.gz SPABWRUQIIEALS-RKDXNWHRSA-N 0 0 307.354 0.478 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccn(CCOC)n1 ZINC000187873283 396376007 /nfs/dbraw/zinc/37/60/07/396376007.db2.gz ZXLCSQCGBSHSMR-LLVKDONJSA-N 0 0 318.381 0.948 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187930425 396376521 /nfs/dbraw/zinc/37/65/21/396376521.db2.gz SVVYALRFNRHZBE-JTQLQIEISA-N 0 0 301.412 0.174 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000188088753 396379205 /nfs/dbraw/zinc/37/92/05/396379205.db2.gz NPTTZLNRQJQUMP-GFCCVEGCSA-N 0 0 303.362 0.082 10 0 DCAERN CN1CCCN(C(=O)NCCCNc2ccccn2)CC1=O ZINC000188143183 396379625 /nfs/dbraw/zinc/37/96/25/396379625.db2.gz GMGNTTRRENZZNB-UHFFFAOYSA-N 0 0 305.382 0.757 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000193305939 396448807 /nfs/dbraw/zinc/44/88/07/396448807.db2.gz UPNDIFVGZZRWCF-CQSZACIVSA-N 0 0 306.410 0.954 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)n1 ZINC000193511111 396452634 /nfs/dbraw/zinc/45/26/34/396452634.db2.gz NLPLJXNBDHTLTD-SECBINFHSA-N 0 0 324.406 0.942 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1F ZINC000269906830 396454463 /nfs/dbraw/zinc/45/44/63/396454463.db2.gz ZPVDYCJLSRFEIW-SECBINFHSA-N 0 0 307.318 0.655 10 0 DCAERN CN1C[C@H](NS(=O)(=O)c2cncc(Cl)c2)CCC1=O ZINC000269929742 396455286 /nfs/dbraw/zinc/45/52/86/396455286.db2.gz CQPAZEZCKXLIJA-SECBINFHSA-N 0 0 303.771 0.634 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CN(C)C(=O)c1cccs1 ZINC000289212782 396456743 /nfs/dbraw/zinc/45/67/43/396456743.db2.gz YMUHEHAZTFDXNF-VIFPVBQESA-N 0 0 300.380 0.944 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCO[C@H](CO)C1 ZINC000270113528 396461662 /nfs/dbraw/zinc/46/16/62/396461662.db2.gz ZZWCLQWMVARCNP-STQMWFEESA-N 0 0 306.366 0.063 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000371709518 396475120 /nfs/dbraw/zinc/47/51/20/396475120.db2.gz VTAVPUNJCQLAJN-ZQJOYCHOSA-N 0 0 324.402 0.833 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371790245 396476788 /nfs/dbraw/zinc/47/67/88/396476788.db2.gz WHUYDKSSFBQITH-ZDUSSCGKSA-N 0 0 320.389 0.789 10 0 DCAERN COC(=O)c1cn([C@@H]2CCN(C(=O)c3cccc(O)c3)C2)nn1 ZINC000371854695 396478715 /nfs/dbraw/zinc/47/87/15/396478715.db2.gz YULLCJNKTGFMDB-LLVKDONJSA-N 0 0 316.317 0.858 10 0 DCAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN2CCOC[C@H]2C1 ZINC000371868926 396479076 /nfs/dbraw/zinc/47/90/76/396479076.db2.gz CPLSBTXFHWWKNY-CQSZACIVSA-N 0 0 313.361 0.628 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C1(C)C ZINC000371942137 396480686 /nfs/dbraw/zinc/48/06/86/396480686.db2.gz IAHFIEDNVFNVMH-YYHMBLRTSA-N 0 0 313.398 0.474 10 0 DCAERN COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372004211 396482489 /nfs/dbraw/zinc/48/24/89/396482489.db2.gz NXJFSGGGHVNHDC-GFCCVEGCSA-N 0 0 322.361 0.464 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000372161139 396493917 /nfs/dbraw/zinc/49/39/17/396493917.db2.gz SZHHYCBPCWHXDM-RYUDHWBXSA-N 0 0 304.412 0.991 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2nnn(C)n2)C[C@H](c2ccccc2)O1 ZINC000373337317 396585305 /nfs/dbraw/zinc/58/53/05/396585305.db2.gz MOBKMEKHZJSMEB-DGCLKSJQSA-N 0 0 316.365 0.882 10 0 DCAERN COC[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000372762977 396544324 /nfs/dbraw/zinc/54/43/24/396544324.db2.gz GUOLNTQMMVZVCA-ONGXEEELSA-N 0 0 322.365 0.908 10 0 DCAERN CCO[C@@H]1C[C@@]2(NC(=O)N([C@@H]3CCCN(C)C3=O)C2=O)C1(C)C ZINC000581406472 396551726 /nfs/dbraw/zinc/55/17/26/396551726.db2.gz NOFHQRDJUJILGH-UVWXRNBGSA-N 0 0 323.393 0.733 10 0 DCAERN CNS(=O)(=O)C1CCN(c2nc(C)nc(OC)c2C)CC1 ZINC000292819123 396570675 /nfs/dbraw/zinc/57/06/75/396570675.db2.gz OVSJOLIYNSBWLC-UHFFFAOYSA-N 0 0 314.411 0.620 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)C1 ZINC000374218473 396648058 /nfs/dbraw/zinc/64/80/58/396648058.db2.gz SEJVFQCVOZREIH-ILXRZTDVSA-N 0 0 308.353 0.791 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2c(c1)COC2 ZINC000585733322 396651453 /nfs/dbraw/zinc/65/14/53/396651453.db2.gz GLTFRMSLHMQLNQ-UHFFFAOYSA-N 0 0 324.402 0.872 10 0 DCAERN Cc1cc(C(=O)NCCCN2CCCS2(=O)=O)c(C)n1C ZINC000585736742 396651868 /nfs/dbraw/zinc/65/18/68/396651868.db2.gz SBGUSBCBVXUKKY-UHFFFAOYSA-N 0 0 313.423 0.797 10 0 DCAERN O=C(NC[C@@H]1CC[C@H](O)C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000373711119 396608569 /nfs/dbraw/zinc/60/85/69/396608569.db2.gz AKNIYZJXQPKANI-KGYLQXTDSA-N 0 0 312.435 0.965 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373809254 396615093 /nfs/dbraw/zinc/61/50/93/396615093.db2.gz IHWVRYRKMXHGJN-DUVNUKRYSA-N 0 0 310.394 0.794 10 0 DCAERN Cn1nccc1CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000561118953 396630446 /nfs/dbraw/zinc/63/04/46/396630446.db2.gz ULHAULJZHFVJNV-QGZVFWFLSA-N 0 0 312.373 0.884 10 0 DCAERN CC[C@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)CCO1 ZINC000586595278 396661612 /nfs/dbraw/zinc/66/16/12/396661612.db2.gz OKLYHAZWAISMPG-LBPRGKRZSA-N 0 0 319.427 0.232 10 0 DCAERN COCCCN(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000587122455 396671313 /nfs/dbraw/zinc/67/13/13/396671313.db2.gz AJTHXMAXEWBOCP-UHFFFAOYSA-N 0 0 307.416 0.090 10 0 DCAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000294385332 396671541 /nfs/dbraw/zinc/67/15/41/396671541.db2.gz JAYUTTHZPMGKJA-GHMZBOCLSA-N 0 0 317.353 0.688 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000588232076 396682034 /nfs/dbraw/zinc/68/20/34/396682034.db2.gz UAEXMDRYZWNDJE-OBJOEFQTSA-N 0 0 309.410 0.903 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374731029 396683337 /nfs/dbraw/zinc/68/33/37/396683337.db2.gz ARIPUSHJPSFJGN-AGIUHOORSA-N 0 0 321.439 0.508 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CC(n4ccnn4)C3)ccc21 ZINC000374804897 396689300 /nfs/dbraw/zinc/68/93/00/396689300.db2.gz FJEMMJLSFOSFPF-UHFFFAOYSA-N 0 0 311.345 0.884 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374842080 396691786 /nfs/dbraw/zinc/69/17/86/396691786.db2.gz RONQHFIAWHLEDX-NSHDSACASA-N 0 0 309.395 0.363 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000375027153 396704938 /nfs/dbraw/zinc/70/49/38/396704938.db2.gz KGYXPINXZSJCTP-TZMCWYRMSA-N 0 0 322.409 0.980 10 0 DCAERN Cc1cc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C ZINC000299739867 396713346 /nfs/dbraw/zinc/71/33/46/396713346.db2.gz SOAMHDOSVAFVJE-NSHDSACASA-N 0 0 301.354 0.625 10 0 DCAERN O=C(Cn1cnnn1)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000589455120 396715457 /nfs/dbraw/zinc/71/54/57/396715457.db2.gz CCESWXUEIOAHEE-NSHDSACASA-N 0 0 318.362 0.213 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@H](Cn2cccn2)C1 ZINC000301403846 396716620 /nfs/dbraw/zinc/71/66/20/396716620.db2.gz KMZUDYKPHXIPPJ-LBPRGKRZSA-N 0 0 301.350 0.543 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nnnn2-c2ccccc2)C1 ZINC000302596830 396721441 /nfs/dbraw/zinc/72/14/41/396721441.db2.gz XPQDXMCCHBWNKP-UHFFFAOYSA-N 0 0 322.394 0.356 10 0 DCAERN CS(=O)(=O)c1cccnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000302755101 396722825 /nfs/dbraw/zinc/72/28/25/396722825.db2.gz VRJRPHZSMWDCDY-SNVBAGLBSA-N 0 0 310.297 0.989 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610701336 396751576 /nfs/dbraw/zinc/75/15/76/396751576.db2.gz AJSGGORYBVUWII-MNOVXSKESA-N 0 0 300.380 0.914 10 0 DCAERN O=C([O-])COCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714193 396758065 /nfs/dbraw/zinc/75/80/65/396758065.db2.gz KFXOZCTULWSGPV-AWEZNQCLSA-N 0 0 321.377 0.661 10 0 DCAERN C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCOCC(=O)[O-] ZINC000309761841 396760471 /nfs/dbraw/zinc/76/04/71/396760471.db2.gz YHMWYUMVOKMRTF-ZDUSSCGKSA-N 0 0 323.393 0.907 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCCNC(=O)[C@H]2C)NC1=O ZINC000375515617 396763870 /nfs/dbraw/zinc/76/38/70/396763870.db2.gz TWQSESOVSYGVQN-ZJUUUORDSA-N 0 0 317.345 0.757 10 0 DCAERN CC1(C)CN(CC(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000633987133 396764292 /nfs/dbraw/zinc/76/42/92/396764292.db2.gz JYWSJYPNIWAHEI-VIFPVBQESA-N 0 0 305.304 0.840 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000625086888 396768612 /nfs/dbraw/zinc/76/86/12/396768612.db2.gz BQDVCWHOHKSVEW-QWHCGFSZSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H](NC[C@H](O)COC[C@@H]1CCCO1)C(C)(C)C ZINC000610989646 396797826 /nfs/dbraw/zinc/79/78/26/396797826.db2.gz RMUNLKGFZMEAEO-RWMBFGLXSA-N 0 0 303.399 0.720 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@]23CCOC3)[nH]1 ZINC000375582713 396775759 /nfs/dbraw/zinc/77/57/59/396775759.db2.gz HDMCIJHKBUWMOG-OAHLLOKOSA-N 0 0 302.334 0.898 10 0 DCAERN Cc1n[nH]cc1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000375835205 396829377 /nfs/dbraw/zinc/82/93/77/396829377.db2.gz RYIFQAFUTOOTQA-UHFFFAOYSA-N 0 0 306.366 0.283 10 0 DCAERN CCc1nnc2n1CCN(C1CN(c3ncc(Cl)cn3)C1)C2 ZINC000328656016 396831264 /nfs/dbraw/zinc/83/12/64/396831264.db2.gz YZIBBSXRDFHWLK-UHFFFAOYSA-N 0 0 319.800 0.988 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1)C(C)C ZINC000629783433 396832005 /nfs/dbraw/zinc/83/20/05/396832005.db2.gz IOIWWIJCOFCUBX-UTUOFQBUSA-N 0 0 310.354 0.485 10 0 DCAERN O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329488380 396845916 /nfs/dbraw/zinc/84/59/16/396845916.db2.gz ULBGJFVSRBMODL-ZDUSSCGKSA-N 0 0 314.345 0.950 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000375938604 396847300 /nfs/dbraw/zinc/84/73/00/396847300.db2.gz TTZJJHNBQSEVMR-ISUDXETCSA-N 0 0 301.306 0.519 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000625376377 396851402 /nfs/dbraw/zinc/85/14/02/396851402.db2.gz HIVBWSGESNVHCA-HNNXBMFYSA-N 0 0 321.421 0.930 10 0 DCAERN CC(=O)N[C@H](C(=O)NC1CN(c2ccncn2)C1)C1CCCC1 ZINC000634450878 396852706 /nfs/dbraw/zinc/85/27/06/396852706.db2.gz MLCLVRDGIJGSCH-HNNXBMFYSA-N 0 0 317.393 0.476 10 0 DCAERN N[C@@H](C(=O)NCc1n[nH]cc1Br)C(F)(F)F ZINC000564797331 396870387 /nfs/dbraw/zinc/87/03/87/396870387.db2.gz SIDPRHKIOCFTPI-YFKPBYRVSA-N 0 0 301.066 0.678 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)N2CCCn3nccc32)cc1 ZINC000596966320 396866270 /nfs/dbraw/zinc/86/62/70/396866270.db2.gz RHAUVAKVUWOGLL-UHFFFAOYSA-N 0 0 320.374 0.510 10 0 DCAERN Cn1c(C(=O)N2CC(n3ccnn3)C2)cc2ccccc2c1=O ZINC000376049300 396867343 /nfs/dbraw/zinc/86/73/43/396867343.db2.gz AMWSQAUKIKIKDX-UHFFFAOYSA-N 0 0 309.329 0.827 10 0 DCAERN COC[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)C(=O)OC ZINC000611507945 396876443 /nfs/dbraw/zinc/87/64/43/396876443.db2.gz GLZARDKCJIWEIY-JTQLQIEISA-N 0 0 315.757 0.475 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629924986 396887989 /nfs/dbraw/zinc/88/79/89/396887989.db2.gz OOUXWOKTFIHVFK-CZUORRHYSA-N 0 0 307.394 0.515 10 0 DCAERN CC(=O)NCCN(C[C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576311 396889310 /nfs/dbraw/zinc/88/93/10/396889310.db2.gz PEACPYSXGGBBHV-NEPJUHHUSA-N 0 0 302.415 0.783 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629933230 396891025 /nfs/dbraw/zinc/89/10/25/396891025.db2.gz ZADMYYNJESOIRE-JSGCOSHPSA-N 0 0 307.394 0.515 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(NC(=O)C3CC3)CC2)CCC1=O ZINC000332905694 396901632 /nfs/dbraw/zinc/90/16/32/396901632.db2.gz WBKHAPZHWJLUAI-ZDUSSCGKSA-N 0 0 322.409 0.307 10 0 DCAERN CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(N)cc1F ZINC000625516425 396907884 /nfs/dbraw/zinc/90/78/84/396907884.db2.gz VQHLDCWSGKWPKA-JTQLQIEISA-N 0 0 303.359 0.017 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@H]1c1nc[nH]n1 ZINC000333159899 396919995 /nfs/dbraw/zinc/91/99/95/396919995.db2.gz LSJKFCXEVCYYMJ-NOOOWODRSA-N 0 0 312.395 0.696 10 0 DCAERN c1c(CN2CCN(c3nccnn3)CC2)nnn1CC1CC1 ZINC000625647937 396966705 /nfs/dbraw/zinc/96/67/05/396966705.db2.gz ZSFSMEAQRPGLSD-UHFFFAOYSA-N 0 0 300.370 0.195 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000376428890 396927723 /nfs/dbraw/zinc/92/77/23/396927723.db2.gz QKZJJTRMNGQFTH-FDYHWXHSSA-N 0 0 307.394 0.370 10 0 DCAERN O=C(NC[C@@H]1CCCC1(F)F)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333561524 396928486 /nfs/dbraw/zinc/92/84/86/396928486.db2.gz WJORBOJPRDEKJZ-GARJFASQSA-N 0 0 315.324 0.953 10 0 DCAERN C[C@H]1CCC[C@@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000591587471 396931898 /nfs/dbraw/zinc/93/18/98/396931898.db2.gz ZHYXINUZTWBWSP-RYUDHWBXSA-N 0 0 303.428 0.900 10 0 DCAERN COC(=O)c1ccccc1CS(=O)(=O)NCc1cn(C)nn1 ZINC000611934707 396951469 /nfs/dbraw/zinc/95/14/69/396951469.db2.gz CNJKSTNKMHUVKY-UHFFFAOYSA-N 0 0 324.362 0.221 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000376608487 396952558 /nfs/dbraw/zinc/95/25/58/396952558.db2.gz DRGJTZSSUKXYOA-CYBMUJFWSA-N 0 0 324.425 0.686 10 0 DCAERN CCOC(=O)c1ccc(CNC(=O)NCc2cn(C)nn2)cc1 ZINC000611941189 396953073 /nfs/dbraw/zinc/95/30/73/396953073.db2.gz GTNVUANJDREMIU-UHFFFAOYSA-N 0 0 317.349 0.991 10 0 DCAERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cn(C)nn2)C1 ZINC000611941683 396953249 /nfs/dbraw/zinc/95/32/49/396953249.db2.gz ANMOOSIJSUYMNG-FPQVQZPGSA-N 0 0 313.427 0.694 10 0 DCAERN CN(CCCNC(=O)N1CC[C@@H](CC(N)=O)C1)CC(F)(F)F ZINC000376628918 396954711 /nfs/dbraw/zinc/95/47/11/396954711.db2.gz LPEFPAJKHLTGML-JTQLQIEISA-N 0 0 324.347 0.778 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H]2CCc3nc(C)nn3C2)on1 ZINC000376860281 396987782 /nfs/dbraw/zinc/98/77/82/396987782.db2.gz OMECHPPVDHHOFB-LLVKDONJSA-N 0 0 304.354 0.740 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000625735855 396990528 /nfs/dbraw/zinc/99/05/28/396990528.db2.gz PHJPSCLDYZONFV-DHGKCCLASA-N 0 0 311.426 0.644 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2nccnc21 ZINC000618622376 396999670 /nfs/dbraw/zinc/99/96/70/396999670.db2.gz KEJVZONAEVYOPV-DTWKUNHWSA-N 0 0 318.337 0.288 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)ccc2O)CCN1S(C)(=O)=O ZINC000618676839 397010098 /nfs/dbraw/zinc/01/00/98/397010098.db2.gz ZCYCHZAYWRPJEW-SECBINFHSA-N 0 0 316.354 0.637 10 0 DCAERN COc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cn1 ZINC000618680999 397012460 /nfs/dbraw/zinc/01/24/60/397012460.db2.gz GGDIGRMJAHCPNU-SNVBAGLBSA-N 0 0 313.379 0.196 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618680998 397012593 /nfs/dbraw/zinc/01/25/93/397012593.db2.gz GFHHXCXMHNZNGW-SECBINFHSA-N 0 0 314.411 0.143 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cccs2)CCN1S(C)(=O)=O ZINC000618681533 397012903 /nfs/dbraw/zinc/01/29/03/397012903.db2.gz HZRPRLNFMMFSAD-SNVBAGLBSA-N 0 0 302.421 0.783 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1coc(C2CC2)n1 ZINC000618754190 397023028 /nfs/dbraw/zinc/02/30/28/397023028.db2.gz JTSSCLXFUGFJRR-RKDXNWHRSA-N 0 0 323.349 0.738 10 0 DCAERN CCC[C@H](C)NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000618795096 397025857 /nfs/dbraw/zinc/02/58/57/397025857.db2.gz BFSLFCSNSLHHMU-HBNTYKKESA-N 0 0 301.387 0.931 10 0 DCAERN O=C(NCCn1ncnn1)Nc1ccc(N2CCC2=O)cc1 ZINC000571667141 396976314 /nfs/dbraw/zinc/97/63/14/396976314.db2.gz YRXZAODAOIZLSO-UHFFFAOYSA-N 0 0 301.310 0.232 10 0 DCAERN C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccnc3c2ncn3C)CC1 ZINC000377327980 397067057 /nfs/dbraw/zinc/06/70/57/397067057.db2.gz VJYYIRXRFDSHBS-GFCCVEGCSA-N 0 0 317.393 0.497 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)Cc1ccc[nH]1 ZINC000625974146 397044391 /nfs/dbraw/zinc/04/43/91/397044391.db2.gz NFLZYOKWHBULHK-UHFFFAOYSA-N 0 0 322.409 0.783 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@@H](N3CCOCC3)[C@H]2C)on1 ZINC000377697081 397126824 /nfs/dbraw/zinc/12/68/24/397126824.db2.gz KBHCTIATFARDCP-CHWSQXEVSA-N 0 0 308.382 0.717 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCOCC[C@H]1C ZINC000364056773 397178173 /nfs/dbraw/zinc/17/81/73/397178173.db2.gz METLTINZSSUOOH-LLVKDONJSA-N 0 0 307.416 0.135 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000626420731 397158404 /nfs/dbraw/zinc/15/84/04/397158404.db2.gz RFFCPIXPEZGBMM-KGLIPLIRSA-N 0 0 305.378 0.960 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000626420733 397159793 /nfs/dbraw/zinc/15/97/93/397159793.db2.gz RFFCPIXPEZGBMM-ZIAGYGMSSA-N 0 0 305.378 0.960 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000377930137 397165071 /nfs/dbraw/zinc/16/50/71/397165071.db2.gz BWOIZCBRONYXQP-GFCCVEGCSA-N 0 0 305.353 0.999 10 0 DCAERN COCC1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCOCC1 ZINC000377923505 397165968 /nfs/dbraw/zinc/16/59/68/397165968.db2.gz QDWQSTOTCDICTK-GFCCVEGCSA-N 0 0 311.300 0.955 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)c2ccccc21 ZINC000613019051 397179693 /nfs/dbraw/zinc/17/96/93/397179693.db2.gz RFHKOSUIWXMVIS-OLZOCXBDSA-N 0 0 316.361 0.624 10 0 DCAERN CS(=O)(=O)CCCC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000377616398 397114099 /nfs/dbraw/zinc/11/40/99/397114099.db2.gz SXCZNIWIHGFNHQ-CYBMUJFWSA-N 0 0 324.402 0.733 10 0 DCAERN COC(=O)C12CCC(C(=O)N3C[C@@H]4COC[C@H](C3)O4)(CC1)C2 ZINC000619775482 397190925 /nfs/dbraw/zinc/19/09/25/397190925.db2.gz MDRQCFGMRAMOLW-RJAIZQQDSA-N 0 0 309.362 0.736 10 0 DCAERN CCOC(=O)c1cc(NC(=O)N[C@H]2CCN(CC)C2=O)cn1C ZINC000619795376 397193715 /nfs/dbraw/zinc/19/37/15/397193715.db2.gz NRIRETVIZCDAKS-NSHDSACASA-N 0 0 322.365 0.944 10 0 DCAERN Cn1cc(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)nn1 ZINC000619795384 397194035 /nfs/dbraw/zinc/19/40/35/397194035.db2.gz PPIOQPQIQVCVDP-UHFFFAOYSA-N 0 0 318.337 0.490 10 0 DCAERN CCN1CC[C@H](NC(=O)NCC(CC)(CC)C(=O)OC)C1=O ZINC000619800871 397195128 /nfs/dbraw/zinc/19/51/28/397195128.db2.gz GYXCSNHEEGURPR-NSHDSACASA-N 0 0 313.398 0.886 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N[C@@H]2CCN(CC)C2=O)c1 ZINC000619825288 397197235 /nfs/dbraw/zinc/19/72/35/397197235.db2.gz LARDTXUYDCTPMZ-CYBMUJFWSA-N 0 0 319.361 0.917 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O ZINC000619825660 397197424 /nfs/dbraw/zinc/19/74/24/397197424.db2.gz WSRHHHHPHDGHPO-SNVBAGLBSA-N 0 0 307.350 0.769 10 0 DCAERN CCOC1CC(CCNC(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000364494380 397210428 /nfs/dbraw/zinc/21/04/28/397210428.db2.gz XINBRQGWSVRQQS-SLTAFYQDSA-N 0 0 311.426 0.918 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000573891520 397216524 /nfs/dbraw/zinc/21/65/24/397216524.db2.gz SFNXTDBOAZKTRO-VWYCJHECSA-N 0 0 307.416 0.133 10 0 DCAERN c1cnnc(N2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000378442395 397240214 /nfs/dbraw/zinc/24/02/14/397240214.db2.gz NAWPQBCHUQMBNO-GASCZTMLSA-N 0 0 303.410 0.462 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000365436578 397279922 /nfs/dbraw/zinc/27/99/22/397279922.db2.gz JCIRVFHLRPYABG-UTUOFQBUSA-N 0 0 306.366 0.280 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000385892580 397286190 /nfs/dbraw/zinc/28/61/90/397286190.db2.gz DMYBUNZVRSLCJV-NSHDSACASA-N 0 0 316.155 0.230 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)[C@@H](C)O ZINC000386907992 397290688 /nfs/dbraw/zinc/29/06/88/397290688.db2.gz PQHDRUOIMIMZLS-BXKDBHETSA-N 0 0 301.364 0.911 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@@H](C)O1 ZINC000395105379 397309700 /nfs/dbraw/zinc/30/97/00/397309700.db2.gz OWKQLMFKUNTQJW-ZXFLCMHBSA-N 0 0 304.393 0.691 10 0 DCAERN CCN1CN(C(=O)[C@H]2COc3c(cccc3OC)C2)CC1=O ZINC000365264223 397256466 /nfs/dbraw/zinc/25/64/66/397256466.db2.gz FGFZMFPGPLUXPX-GFCCVEGCSA-N 0 0 304.346 0.895 10 0 DCAERN CN(Cc1cc[nH]n1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000400033888 397314886 /nfs/dbraw/zinc/31/48/86/397314886.db2.gz IMGCEJMMOIYITJ-LLVKDONJSA-N 0 0 300.384 0.182 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000407956278 397336344 /nfs/dbraw/zinc/33/63/44/397336344.db2.gz UWZGRUHHAGPOKS-DCAQKATOSA-N 0 0 305.400 0.016 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1=O ZINC000407958348 397336623 /nfs/dbraw/zinc/33/66/23/397336623.db2.gz QGOBLUIVESWPAF-BFHYXJOUSA-N 0 0 306.362 0.685 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N1CCC[C@H](O)C1 ZINC000366145519 397341624 /nfs/dbraw/zinc/34/16/24/397341624.db2.gz BQQVIZQRLPNAGF-LBPRGKRZSA-N 0 0 304.346 0.933 10 0 DCAERN Cc1[nH]n(C)c2nnc(NC(=O)C(=O)N3CCC[C@@H](C)C3)c1-2 ZINC000407990547 397342363 /nfs/dbraw/zinc/34/23/63/397342363.db2.gz LUIDGUBQNWKNRQ-MRVPVSSYSA-N 0 0 304.354 0.802 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CC(=O)N1C ZINC000407973331 397342649 /nfs/dbraw/zinc/34/26/49/397342649.db2.gz XUCLZFMIYPTFTF-LLVKDONJSA-N 0 0 304.346 0.689 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCOCC1 ZINC000408023035 397344950 /nfs/dbraw/zinc/34/49/50/397344950.db2.gz OLMDQRZDDZDMON-NWDGAFQWSA-N 0 0 306.428 0.889 10 0 DCAERN Cn1[nH]cnc1=NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000577611159 397345988 /nfs/dbraw/zinc/34/59/88/397345988.db2.gz MFXUANYHVZPGRA-SNVBAGLBSA-N 0 0 303.322 0.589 10 0 DCAERN C[C@@H](C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)n1nnnc1C(C)(C)C ZINC000408141632 397348504 /nfs/dbraw/zinc/34/85/04/397348504.db2.gz VCDFTMDDHMSSNC-VWYCJHECSA-N 0 0 322.413 0.644 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000408207883 397350323 /nfs/dbraw/zinc/35/03/23/397350323.db2.gz YACDIQSZCFSDLC-XQQFMLRXSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408205424 397350418 /nfs/dbraw/zinc/35/04/18/397350418.db2.gz YALBCUBCUVLSBW-ZJUUUORDSA-N 0 0 319.427 0.118 10 0 DCAERN Cn1ccc(N2CC[C@H](NC(=O)c3cccc(CO)c3)C2)n1 ZINC000365882287 397329269 /nfs/dbraw/zinc/32/92/69/397329269.db2.gz UYWABBLWSWSNKO-AWEZNQCLSA-N 0 0 300.362 0.921 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C)Cc1ccns1 ZINC000404598333 397329401 /nfs/dbraw/zinc/32/94/01/397329401.db2.gz GALRCXAEIOUOGK-UHFFFAOYSA-N 0 0 307.397 0.315 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042825 397431060 /nfs/dbraw/zinc/43/10/60/397431060.db2.gz XEFKMUJXNGTTDI-WBIUFABUSA-N 0 0 316.361 0.796 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3nccn3c2)CCN1C ZINC000578422395 397433170 /nfs/dbraw/zinc/43/31/70/397433170.db2.gz TYRWRSPRIPCBMB-NEPJUHHUSA-N 0 0 315.377 0.824 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000599429186 397439244 /nfs/dbraw/zinc/43/92/44/397439244.db2.gz QCQGKMNNDRJLCB-YPMHNXCESA-N 0 0 313.375 0.779 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)SC ZINC000487137692 397467294 /nfs/dbraw/zinc/46/72/94/397467294.db2.gz MZARBTUUBLNKHI-UTLUCORTSA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)c1ncc(CN2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000602777584 397482135 /nfs/dbraw/zinc/48/21/35/397482135.db2.gz GVMXDZRIBSSAHM-VIFPVBQESA-N 0 0 318.420 0.939 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1csnc1C ZINC000488291710 397489323 /nfs/dbraw/zinc/48/93/23/397489323.db2.gz IPEMVCIOAMXNAQ-BDAKNGLRSA-N 0 0 313.379 0.638 10 0 DCAERN Cc1nnc2n1C[C@@H](CN1C(=O)CN(C3CCC3)C1=O)CC2 ZINC000578835424 397490739 /nfs/dbraw/zinc/49/07/39/397490739.db2.gz JGQJOKLMUOEBEY-NSHDSACASA-N 0 0 303.366 0.966 10 0 DCAERN C[C@H](Cn1cncn1)Nc1cnn(C)c(=O)c1Br ZINC000602849343 397500977 /nfs/dbraw/zinc/50/09/77/397500977.db2.gz FUGSLUPGMKFDCP-SSDOTTSWSA-N 0 0 313.159 0.635 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000578976740 397507630 /nfs/dbraw/zinc/50/76/30/397507630.db2.gz ACRKFVSXHRCMRF-UWVGGRQHSA-N 0 0 317.345 0.753 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)NC[C@](C)(O)CO ZINC000579428219 397565502 /nfs/dbraw/zinc/56/55/02/397565502.db2.gz RWJZSODTQCHVQF-HNNXBMFYSA-N 0 0 307.350 0.460 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000371353705 397575176 /nfs/dbraw/zinc/57/51/76/397575176.db2.gz JPKSUEPRXPMWJB-OUJBWJOFSA-N 0 0 310.300 0.735 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](O)C[C@]2(C)CO)s1 ZINC000602898128 397517290 /nfs/dbraw/zinc/51/72/90/397517290.db2.gz LRUXLOYIXPNGKK-NOZJJQNGSA-N 0 0 300.380 0.637 10 0 DCAERN Cn1nccc1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000579902936 397597049 /nfs/dbraw/zinc/59/70/49/397597049.db2.gz QDFRPOYJNKXXHF-OAHLLOKOSA-N 0 0 306.410 0.676 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000603481113 397613229 /nfs/dbraw/zinc/61/32/29/397613229.db2.gz UDTLBTFTXFZKQC-SECBINFHSA-N 0 0 300.384 0.126 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000603553338 397615706 /nfs/dbraw/zinc/61/57/06/397615706.db2.gz LMDCLVBETMZWID-AWEZNQCLSA-N 0 0 303.362 0.903 10 0 DCAERN C[C@@H]1CC[C@@H](CCC(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000608360159 397727163 /nfs/dbraw/zinc/72/71/63/397727163.db2.gz BYYSWIHUKQPKQH-OLZOCXBDSA-N 0 0 318.439 0.876 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000606417084 397680564 /nfs/dbraw/zinc/68/05/64/397680564.db2.gz KSZJOMXHTBYODX-RKDXNWHRSA-N 0 0 324.410 0.260 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1c1cnn(C)c1 ZINC000608731801 397750966 /nfs/dbraw/zinc/75/09/66/397750966.db2.gz IAZMXZOKYFDIDX-GXFFZTMASA-N 0 0 305.382 0.965 10 0 DCAERN C[C@H]1C[C@H](NC(=O)N(C)CC2CC2)C(=O)N1c1cnn(C)c1 ZINC000608731800 397751214 /nfs/dbraw/zinc/75/12/14/397751214.db2.gz IAZMXZOKYFDIDX-GWCFXTLKSA-N 0 0 305.382 0.965 10 0 DCAERN COCC(=O)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2C ZINC000096261824 292178445 /nfs/dbraw/zinc/17/84/45/292178445.db2.gz FYUWOGRXALPYMH-CQSZACIVSA-N 0 0 310.375 0.395 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cn3ccc(C)cc3n2)C1 ZINC000344961602 286089447 /nfs/dbraw/zinc/08/94/47/286089447.db2.gz BIXJFHPEUWPALG-JQWIXIFHSA-N 0 0 302.334 0.358 10 0 DCAERN COc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(C)n1 ZINC000408022678 286198155 /nfs/dbraw/zinc/19/81/55/286198155.db2.gz NDWJQHWJPCIPAA-ZIAGYGMSSA-N 0 0 305.378 0.944 10 0 DCAERN COc1ccc(CN(C)C(=O)CN2CCNC(=O)CC2)cc1 ZINC000073350345 286301862 /nfs/dbraw/zinc/30/18/62/286301862.db2.gz DTMZDDUNORLIQN-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN COCCCCS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000408308097 292324140 /nfs/dbraw/zinc/32/41/40/292324140.db2.gz IIDCDUWKSDUIMC-MNOVXSKESA-N 0 0 313.441 0.250 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000329537365 304404984 /nfs/dbraw/zinc/40/49/84/304404984.db2.gz UXNHBCSNYIUEGM-GUDRVLHUSA-N 0 0 309.284 0.564 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329082558 304406836 /nfs/dbraw/zinc/40/68/36/304406836.db2.gz SFPWAHXDEMUKJP-LOUJCGABSA-N 0 0 322.405 0.387 10 0 DCAERN Cn1cnnc1C1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 ZINC000030857973 157984457 /nfs/dbraw/zinc/98/44/57/157984457.db2.gz ZQOFFBYLQGOYAP-UHFFFAOYSA-N 0 0 307.398 0.683 10 0 DCAERN O=C(C1=NNC(=O)CC1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000037841390 157989331 /nfs/dbraw/zinc/98/93/31/157989331.db2.gz UNKVNVZZTWHDJD-MNOVXSKESA-N 0 0 311.407 0.766 10 0 DCAERN CCOC(=O)CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000046422876 158001371 /nfs/dbraw/zinc/00/13/71/158001371.db2.gz YFUHBFASESJKME-LBPRGKRZSA-N 0 0 306.366 0.905 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](O)C1 ZINC000047102178 158002699 /nfs/dbraw/zinc/00/26/99/158002699.db2.gz BPAZHVLLEJVQQC-STQMWFEESA-N 0 0 305.382 0.612 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(=O)N(C)C ZINC000046970199 158003366 /nfs/dbraw/zinc/00/33/66/158003366.db2.gz PDHXUZZVBJBAKE-VXGBXAGGSA-N 0 0 320.397 0.221 10 0 DCAERN O=C(CNC(=O)NCc1cnn(-c2ccccc2)c1)NC1CC1 ZINC000055076906 158021366 /nfs/dbraw/zinc/02/13/66/158021366.db2.gz VWMVIHGQPFLYNS-UHFFFAOYSA-N 0 0 313.361 0.950 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000058898176 158027172 /nfs/dbraw/zinc/02/71/72/158027172.db2.gz VLLZBEMFVHGNNZ-UHFFFAOYSA-N 0 0 302.338 0.826 10 0 DCAERN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)CO)CC2=O)cc1OC ZINC000062159494 158030295 /nfs/dbraw/zinc/03/02/95/158030295.db2.gz VMZTWMZJXLXYBL-WDEREUQCSA-N 0 0 322.361 0.554 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000064316539 158033412 /nfs/dbraw/zinc/03/34/12/158033412.db2.gz RLHMLVYANGJPMI-ZDUSSCGKSA-N 0 0 317.389 0.982 10 0 DCAERN O=C(CCCNC(=O)c1ccsc1)N1CCNC(=O)CC1 ZINC000065903239 158034363 /nfs/dbraw/zinc/03/43/63/158034363.db2.gz WTBQHPWUPQBVCV-UHFFFAOYSA-N 0 0 309.391 0.607 10 0 DCAERN O=C(CN1CCNC(=O)CC1)NCCCOC1CCCCC1 ZINC000065954641 158034908 /nfs/dbraw/zinc/03/49/08/158034908.db2.gz FJOQTPNHYHGWNR-UHFFFAOYSA-N 0 0 311.426 0.664 10 0 DCAERN NC(=O)[C@@H]1Cc2ccccc2N1Cc1cc(=O)n2nccc2[nH]1 ZINC000066497147 158036671 /nfs/dbraw/zinc/03/66/71/158036671.db2.gz XWJQDGAJLLLMKB-ZDUSSCGKSA-N 0 0 309.329 0.439 10 0 DCAERN CCCCN(C(=O)CNC(=O)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000068384171 158043867 /nfs/dbraw/zinc/04/38/67/158043867.db2.gz ROWUKDJGOUFQHD-LBPRGKRZSA-N 0 0 318.439 0.719 10 0 DCAERN O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1c[nH]cn1 ZINC000070417616 158048180 /nfs/dbraw/zinc/04/81/80/158048180.db2.gz WYMCMWZPCKJXKS-SNVBAGLBSA-N 0 0 308.367 0.147 10 0 DCAERN O=C([C@H]1CSC(=O)N1)N1CCCN(CC(F)(F)F)CC1 ZINC000073086405 158053424 /nfs/dbraw/zinc/05/34/24/158053424.db2.gz CDGOOOSZERTTQK-MRVPVSSYSA-N 0 0 311.329 0.908 10 0 DCAERN O=C(CNC(=O)c1cnc2ccccc2c1O)NCC(F)F ZINC000073161610 158054032 /nfs/dbraw/zinc/05/40/32/158054032.db2.gz QJQOJIHOGGKXPY-UHFFFAOYSA-N 0 0 309.272 0.639 10 0 DCAERN NC(=O)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000073655573 158055829 /nfs/dbraw/zinc/05/58/29/158055829.db2.gz MRKMMXYMSFJKBT-UHFFFAOYSA-N 0 0 322.324 0.952 10 0 DCAERN Cc1nc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)no1 ZINC000074611702 158059903 /nfs/dbraw/zinc/05/99/03/158059903.db2.gz FXOYVZUDTINGFN-CYBMUJFWSA-N 0 0 323.397 0.774 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708636 158064514 /nfs/dbraw/zinc/06/45/14/158064514.db2.gz MOZHYFNQNHEDMK-ZFWWWQNUSA-N 0 0 310.442 0.140 10 0 DCAERN C[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H](C)CO ZINC000077700496 158068728 /nfs/dbraw/zinc/06/87/28/158068728.db2.gz XYICMEIPZAKINO-RKDXNWHRSA-N 0 0 308.317 0.940 10 0 DCAERN CCc1cnc(NC(=O)Cn2cnc3c(cnn3C)c2=O)s1 ZINC000081231538 158083629 /nfs/dbraw/zinc/08/36/29/158083629.db2.gz WAPUTNNJOGRYDD-UHFFFAOYSA-N 0 0 318.362 0.788 10 0 DCAERN O=c1[nH]c2ccccc2c(=O)n1Cc1nc(-c2cnccn2)no1 ZINC000084512461 158089236 /nfs/dbraw/zinc/08/92/36/158089236.db2.gz MIKSAWIONHSSOV-UHFFFAOYSA-N 0 0 322.284 0.578 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN[C@H](C)C1 ZINC000088059631 158093455 /nfs/dbraw/zinc/09/34/55/158093455.db2.gz MYWMEFIXXLRKBH-MRVPVSSYSA-N 0 0 316.379 0.665 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCN1C(=O)CCC1=O ZINC000087562866 158093629 /nfs/dbraw/zinc/09/36/29/158093629.db2.gz YOBVQWHGCYQEFH-JTQLQIEISA-N 0 0 319.365 0.331 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)C2CCOCC2)C1 ZINC000092569784 158114813 /nfs/dbraw/zinc/11/48/13/158114813.db2.gz HSNJHJWWZZNVOT-DGCLKSJQSA-N 0 0 318.439 0.589 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)no1 ZINC000093171824 158118201 /nfs/dbraw/zinc/11/82/01/158118201.db2.gz QEDHRUISQSGESP-AWEZNQCLSA-N 0 0 321.425 0.407 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](CC)CCO ZINC000094959268 158124092 /nfs/dbraw/zinc/12/40/92/158124092.db2.gz FTXNFAYYPVZMCT-STQMWFEESA-N 0 0 320.455 0.715 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)[C@@H](CCSC)NC(N)=O)C[C@H]1C ZINC000094853924 158124133 /nfs/dbraw/zinc/12/41/33/158124133.db2.gz UOEKNRYNLOINHN-OPRDCNLKSA-N 0 0 317.411 0.044 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCCOCC(F)(F)F ZINC000097118857 158125515 /nfs/dbraw/zinc/12/55/15/158125515.db2.gz CUDPXTZGTHNAFS-UHFFFAOYSA-N 0 0 311.304 0.877 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCC(F)F)CO2 ZINC000098005409 158125546 /nfs/dbraw/zinc/12/55/46/158125546.db2.gz JPALPRXYSLYUSW-QMMMGPOBSA-N 0 0 320.317 0.266 10 0 DCAERN C[C@H](NS(=O)(=O)CC1CCCCC1)C(=O)N1CCOCC1 ZINC000101575114 158127697 /nfs/dbraw/zinc/12/76/97/158127697.db2.gz CCZVGWOMXZEODK-LBPRGKRZSA-N 0 0 318.439 0.733 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 ZINC000105857804 158131561 /nfs/dbraw/zinc/13/15/61/158131561.db2.gz VFCYNDCIMBTNFN-GFCCVEGCSA-N 0 0 301.350 0.763 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484139 158138537 /nfs/dbraw/zinc/13/85/37/158138537.db2.gz FLLGGKQDSZZQLP-LLVKDONJSA-N 0 0 314.183 0.905 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNC(=O)C1(C)C ZINC000110707264 158138555 /nfs/dbraw/zinc/13/85/55/158138555.db2.gz XKTKSXMYNCIBIK-UHFFFAOYSA-N 0 0 318.377 0.442 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC000113600743 158149177 /nfs/dbraw/zinc/14/91/77/158149177.db2.gz RFWJEKBTGPUTAK-QWHCGFSZSA-N 0 0 319.471 0.935 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccnc1OC)CC2 ZINC000114861908 158157419 /nfs/dbraw/zinc/15/74/19/158157419.db2.gz CYXRZTRSRSTDDC-SNVBAGLBSA-N 0 0 301.350 0.989 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114857770 158157640 /nfs/dbraw/zinc/15/76/40/158157640.db2.gz MZZGBQKWWVAGLU-AWEZNQCLSA-N 0 0 306.410 0.559 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114836795 158158208 /nfs/dbraw/zinc/15/82/08/158158208.db2.gz RYHBLFBJEBXUPA-STQMWFEESA-N 0 0 324.425 0.696 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1nc(C)no1)CC2 ZINC000114868608 158159192 /nfs/dbraw/zinc/15/91/92/158159192.db2.gz HKEYFXOYWBLXJT-JTQLQIEISA-N 0 0 304.354 0.596 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)NCc2cccc(OC)n2)C1 ZINC000114949695 158160162 /nfs/dbraw/zinc/16/01/62/158160162.db2.gz OJYVEMQMABLZKV-NSHDSACASA-N 0 0 306.366 0.758 10 0 DCAERN COc1cccc(CNC(=O)N2CCNC(=O)[C@H]2C(C)C)n1 ZINC000114949683 158160458 /nfs/dbraw/zinc/16/04/58/158160458.db2.gz XUMRIDTXXJKCSI-CYBMUJFWSA-N 0 0 306.366 0.756 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N1CCC[C@H]1c1ccco1 ZINC000116432569 158165940 /nfs/dbraw/zinc/16/59/40/158165940.db2.gz XRTISGRZNYGRJE-JTQLQIEISA-N 0 0 306.322 0.678 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1CC ZINC000116770673 158167439 /nfs/dbraw/zinc/16/74/39/158167439.db2.gz IMCOAQLNMNBOML-CHWSQXEVSA-N 0 0 320.455 0.379 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CC=C(c2cccs2)CC1 ZINC000117856804 158174593 /nfs/dbraw/zinc/17/45/93/158174593.db2.gz CBYAIQHBUUBGKX-UHFFFAOYSA-N 0 0 317.370 0.914 10 0 DCAERN CC[C@@H](COC)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000118957076 158181345 /nfs/dbraw/zinc/18/13/45/158181345.db2.gz FDIKRWGMSQNFIL-QWRGUYRKSA-N 0 0 311.386 0.984 10 0 DCAERN NC(=O)c1ccc(NC(=O)NC[C@H](O)Cc2ccccc2)cn1 ZINC000119021166 158181520 /nfs/dbraw/zinc/18/15/20/158181520.db2.gz YAJXOPBCCGCPPV-CYBMUJFWSA-N 0 0 314.345 0.906 10 0 DCAERN Cn1ncc(C(=O)NC[C@@]2(CCO)CCOC2)c1-n1cccc1 ZINC000119156134 158183991 /nfs/dbraw/zinc/18/39/91/158183991.db2.gz QZDPWEQEKXSEIT-MRXNPFEDSA-N 0 0 318.377 0.730 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCn3ccnc3)no2)c1 ZINC000119490290 158187993 /nfs/dbraw/zinc/18/79/93/158187993.db2.gz KQMJIZHXLMZUOJ-UHFFFAOYSA-N 0 0 300.322 0.854 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000119512831 158188975 /nfs/dbraw/zinc/18/89/75/158188975.db2.gz JXLZZPLVRYWGIA-NSHDSACASA-N 0 0 316.423 0.281 10 0 DCAERN CN(C)C(=O)CN(CCOc1ccccc1)CC(=O)N(C)C ZINC000119732805 158190932 /nfs/dbraw/zinc/19/09/32/158190932.db2.gz KNMHIPOFSAAPHZ-UHFFFAOYSA-N 0 0 307.394 0.544 10 0 DCAERN COCc1ccc(CN(CC(=O)N(C)C)CC(=O)N(C)C)cc1 ZINC000120015760 158192127 /nfs/dbraw/zinc/19/21/27/158192127.db2.gz HKVNOCMMLYZKHL-UHFFFAOYSA-N 0 0 321.421 0.811 10 0 DCAERN COCCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119949955 158192190 /nfs/dbraw/zinc/19/21/90/158192190.db2.gz CPZMSIVZIAZGPR-GFCCVEGCSA-N 0 0 304.412 0.440 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000120223197 158194604 /nfs/dbraw/zinc/19/46/04/158194604.db2.gz OTAPTIHILTZDNC-UHFFFAOYSA-N 0 0 309.410 0.906 10 0 DCAERN CCN(C1CCN([C@@H]2CCCCNC2=O)CC1)S(C)(=O)=O ZINC000120315119 158196749 /nfs/dbraw/zinc/19/67/49/158196749.db2.gz GBBXJQFNCDNAGP-CYBMUJFWSA-N 0 0 317.455 0.401 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000120347999 158198208 /nfs/dbraw/zinc/19/82/08/158198208.db2.gz AFKKHGNQVLIASI-BBBLOLIVSA-N 0 0 312.395 0.797 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CCC(n2cncn2)CC1 ZINC000120428545 158198335 /nfs/dbraw/zinc/19/83/35/158198335.db2.gz CLKPMVRYGKCVDT-UHFFFAOYSA-N 0 0 317.349 0.855 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCN(C)C1=O ZINC000120714749 158202083 /nfs/dbraw/zinc/20/20/83/158202083.db2.gz UBKFCPNQCMDSDI-QWRGUYRKSA-N 0 0 320.397 0.766 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000120821881 158204392 /nfs/dbraw/zinc/20/43/92/158204392.db2.gz ZRDDXBVVIAEWFC-RTXFEEFZSA-N 0 0 321.381 0.564 10 0 DCAERN CC(C)N(C)S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121744043 158214638 /nfs/dbraw/zinc/21/46/38/158214638.db2.gz STMKVBOVAYJNHC-JTQLQIEISA-N 0 0 301.416 0.850 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCc2ccsc2C1 ZINC000121724186 158214641 /nfs/dbraw/zinc/21/46/41/158214641.db2.gz LRXOTXIAVHXKSX-UHFFFAOYSA-N 0 0 318.420 0.846 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000122662987 158223276 /nfs/dbraw/zinc/22/32/76/158223276.db2.gz CAUKICVDXSMWII-RYUDHWBXSA-N 0 0 311.407 0.920 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCc1nnc[nH]1)CC2 ZINC000122836652 158224474 /nfs/dbraw/zinc/22/44/74/158224474.db2.gz DGQQMEONVDOTRZ-JTQLQIEISA-N 0 0 303.370 0.583 10 0 DCAERN COCCn1cc(NC(=O)NCCCN2CCCC2=O)cn1 ZINC000123599431 158231726 /nfs/dbraw/zinc/23/17/26/158231726.db2.gz UMGXQGQWRBBGBY-UHFFFAOYSA-N 0 0 309.370 0.664 10 0 DCAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1cccc(F)c1 ZINC000123683800 158233161 /nfs/dbraw/zinc/23/31/61/158233161.db2.gz YMLBYTSZHARAPR-CYBMUJFWSA-N 0 0 314.382 0.967 10 0 DCAERN Cn1nccc1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000124149700 158238430 /nfs/dbraw/zinc/23/84/30/158238430.db2.gz PZOXGKYDFXFFEF-OAHLLOKOSA-N 0 0 320.437 0.924 10 0 DCAERN Cn1nccc1C1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000124949389 158249135 /nfs/dbraw/zinc/24/91/35/158249135.db2.gz CSZLLXASDCQEKU-UHFFFAOYSA-N 0 0 301.350 0.534 10 0 DCAERN Cn1cccc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000125100959 158250602 /nfs/dbraw/zinc/25/06/02/158250602.db2.gz BCGNEYZZQIIUDV-ZDUSSCGKSA-N 0 0 305.378 0.736 10 0 DCAERN CCOCCOCC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000125078841 158250895 /nfs/dbraw/zinc/25/08/95/158250895.db2.gz GPJUMQBGEVZGMY-OAHLLOKOSA-N 0 0 306.362 0.739 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000125265029 158254176 /nfs/dbraw/zinc/25/41/76/158254176.db2.gz YJZBGWGMVWPIRM-NWDGAFQWSA-N 0 0 317.411 0.142 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@@H](C)C1CCOCC1 ZINC000125370996 158254566 /nfs/dbraw/zinc/25/45/66/158254566.db2.gz QWXPVYKKYKCSBP-NSHDSACASA-N 0 0 306.428 0.495 10 0 DCAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)CC)CCN1CC(F)F ZINC000125756374 158259558 /nfs/dbraw/zinc/25/95/58/158259558.db2.gz UHDWTBJVUDCUBX-SNVBAGLBSA-N 0 0 312.382 0.609 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C ZINC000125868636 158260380 /nfs/dbraw/zinc/26/03/80/158260380.db2.gz YLQLFQKXBRGZAF-GMTAPVOTSA-N 0 0 322.427 0.660 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCCC2)CCS1(=O)=O ZINC000127247215 158271775 /nfs/dbraw/zinc/27/17/75/158271775.db2.gz ZAWFCCQGGVZOHV-DGCLKSJQSA-N 0 0 300.424 0.506 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@]2(CCO)CCOC2)n1 ZINC000127386392 158273008 /nfs/dbraw/zinc/27/30/08/158273008.db2.gz YINOCNMYRQAVGJ-INIZCTEOSA-N 0 0 324.425 0.978 10 0 DCAERN CCCCN(CCO)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000128052029 158278725 /nfs/dbraw/zinc/27/87/25/158278725.db2.gz KZBGKXPHTPLARJ-UHFFFAOYSA-N 0 0 319.361 0.311 10 0 DCAERN O=C(CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCCC1 ZINC000128458238 158280782 /nfs/dbraw/zinc/28/07/82/158280782.db2.gz GPFGBGUDEVRMJH-CYBMUJFWSA-N 0 0 315.439 0.109 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](CC)CCO)CC2 ZINC000128582911 158282923 /nfs/dbraw/zinc/28/29/23/158282923.db2.gz WVRUGRWSYNPYNK-VXGBXAGGSA-N 0 0 309.414 0.863 10 0 DCAERN O=C(N1CCN(Cc2nccn2C(F)F)CC1)C1(O)CCC1 ZINC000133846955 158322327 /nfs/dbraw/zinc/32/23/27/158322327.db2.gz WHMXKVQMXMCFJT-UHFFFAOYSA-N 0 0 314.336 0.837 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000134011791 158323054 /nfs/dbraw/zinc/32/30/54/158323054.db2.gz SJYZIGUCEQUVMA-UONOGXRCSA-N 0 0 320.389 0.723 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000134043645 158324045 /nfs/dbraw/zinc/32/40/45/158324045.db2.gz AHLJBRBGNALYNR-NWDGAFQWSA-N 0 0 319.409 0.701 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000134062510 158324258 /nfs/dbraw/zinc/32/42/58/158324258.db2.gz NNMGRQPJCIFKHE-GFCCVEGCSA-N 0 0 301.364 0.923 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)C[C@@H](C)O1 ZINC000134544176 158328275 /nfs/dbraw/zinc/32/82/75/158328275.db2.gz GLCYVCZGZVCXHL-CHWSQXEVSA-N 0 0 316.427 0.559 10 0 DCAERN CN(Cc1nc2ccccc2n1C)C(=O)CN1CC(=O)NC1=O ZINC000134909742 158332204 /nfs/dbraw/zinc/33/22/04/158332204.db2.gz FDTRKMRQUGGAOE-UHFFFAOYSA-N 0 0 315.333 0.084 10 0 DCAERN Cc1nc(C(=O)NCc2cccnc2-n2ccnc2)c(=O)[nH]c1C ZINC000135005351 158332729 /nfs/dbraw/zinc/33/27/29/158332729.db2.gz HMGZABBCPGOLFR-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154591 158333686 /nfs/dbraw/zinc/33/36/86/158333686.db2.gz BLSSMPGLZASMRU-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN C[C@H](NC(=O)CN1CCCCC1=O)c1nnc2n1CCCC2 ZINC000135246001 158335138 /nfs/dbraw/zinc/33/51/38/158335138.db2.gz JXTWYZKKQDWMHI-NSHDSACASA-N 0 0 305.382 0.804 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135290229 158335226 /nfs/dbraw/zinc/33/52/26/158335226.db2.gz UEWZNYSZCJQQRG-SNVBAGLBSA-N 0 0 314.411 0.616 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135265081 158335415 /nfs/dbraw/zinc/33/54/15/158335415.db2.gz BFVXLTWRIISBPW-KGLIPLIRSA-N 0 0 320.393 0.615 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1CC ZINC000135768252 158340012 /nfs/dbraw/zinc/34/00/12/158340012.db2.gz LVILQYKADNJSPJ-UWVGGRQHSA-N 0 0 320.393 0.669 10 0 DCAERN CCc1nnc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)o1 ZINC000135734009 158340237 /nfs/dbraw/zinc/34/02/37/158340237.db2.gz RCKKKGUMPKSQOC-LLVKDONJSA-N 0 0 314.411 0.632 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000161597562 158357635 /nfs/dbraw/zinc/35/76/35/158357635.db2.gz CZWZVYSGQBPTTG-WDEREUQCSA-N 0 0 320.397 0.246 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000161639956 158359122 /nfs/dbraw/zinc/35/91/22/158359122.db2.gz YCQGFTQRDVFWNU-UHFFFAOYSA-N 0 0 309.366 0.235 10 0 DCAERN COC(=O)C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)CCO1 ZINC000168135787 158370922 /nfs/dbraw/zinc/37/09/22/158370922.db2.gz JVTPCSUYRJFRKG-VXGBXAGGSA-N 0 0 320.411 0.227 10 0 DCAERN Cn1nc(C(=O)NCCOc2ccc(F)cc2F)ccc1=O ZINC000170951884 158378121 /nfs/dbraw/zinc/37/81/21/158378121.db2.gz ZDZNCVGADBXSPE-UHFFFAOYSA-N 0 0 309.272 0.867 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCC1(O)CCOCC1 ZINC000171421988 158381616 /nfs/dbraw/zinc/38/16/16/158381616.db2.gz DXQIEPNMIBWBMR-UHFFFAOYSA-N 0 0 308.382 0.488 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 ZINC000171351306 158382345 /nfs/dbraw/zinc/38/23/45/158382345.db2.gz DKEGXWOARNKLNN-YPMHNXCESA-N 0 0 305.382 0.874 10 0 DCAERN C[C@H]1CN(C(=O)NCCNC(=O)c2cccnc2)CCS1 ZINC000171421874 158382508 /nfs/dbraw/zinc/38/25/08/158382508.db2.gz HBFRQMMKJITLER-NSHDSACASA-N 0 0 308.407 0.958 10 0 DCAERN CN(C)C(=O)CCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000171939097 158389015 /nfs/dbraw/zinc/38/90/15/158389015.db2.gz WIOFUGRFEOIRNV-UHFFFAOYSA-N 0 0 307.379 0.752 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N[C@@H](C)C1CCCC1 ZINC000172166266 158390887 /nfs/dbraw/zinc/39/08/87/158390887.db2.gz XUDMTKMDHNDECM-LBPRGKRZSA-N 0 0 308.444 0.994 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000172624462 158396848 /nfs/dbraw/zinc/39/68/48/158396848.db2.gz YJOUXUOOBQNQNT-AWEZNQCLSA-N 0 0 302.334 0.755 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)C1 ZINC000173212105 158404066 /nfs/dbraw/zinc/40/40/66/158404066.db2.gz SZYAWQVABNTKMO-HNNXBMFYSA-N 0 0 315.373 0.638 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000173339404 158404632 /nfs/dbraw/zinc/40/46/32/158404632.db2.gz ZASFDAAHNFURQQ-WCQYABFASA-N 0 0 303.362 0.775 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@@H](O)C1 ZINC000174585416 158418452 /nfs/dbraw/zinc/41/84/52/158418452.db2.gz AUMMUIZWLNDQKS-MNOVXSKESA-N 0 0 310.300 0.911 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000175442500 158427568 /nfs/dbraw/zinc/42/75/68/158427568.db2.gz OUQVNWQKMFHMKO-ZDUSSCGKSA-N 0 0 318.377 0.725 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(C)C ZINC000178721052 158462071 /nfs/dbraw/zinc/46/20/71/158462071.db2.gz KEPVMNRVEBOGCN-AWEZNQCLSA-N 0 0 315.377 0.827 10 0 DCAERN CNC(=O)[C@H](Nc1ccc(C(=O)NCCOC)cn1)C(C)C ZINC000178842570 158464661 /nfs/dbraw/zinc/46/46/61/158464661.db2.gz KHTNHTGXBJUSDB-CYBMUJFWSA-N 0 0 308.382 0.640 10 0 DCAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C12CCCC2 ZINC000179513935 158473267 /nfs/dbraw/zinc/47/32/67/158473267.db2.gz QHVZZLDNIYLPOE-CHWSQXEVSA-N 0 0 322.409 0.778 10 0 DCAERN O=C(CCc1ccccc1O)NCCNC(=O)c1ccn[nH]1 ZINC000180920944 158481160 /nfs/dbraw/zinc/48/11/60/158481160.db2.gz JBMQQRXKKKYGMV-UHFFFAOYSA-N 0 0 302.334 0.594 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(=O)NCC1CC1 ZINC000181240597 158484006 /nfs/dbraw/zinc/48/40/06/158484006.db2.gz XPJJABXVUMXULI-SNVBAGLBSA-N 0 0 321.425 0.793 10 0 DCAERN CCN(C(=O)COc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000181779467 158488223 /nfs/dbraw/zinc/48/82/23/158488223.db2.gz LUGBNWPWDCNFCA-LBPRGKRZSA-N 0 0 312.391 0.804 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185180680 158516352 /nfs/dbraw/zinc/51/63/52/158516352.db2.gz ZUXQWDNNGOGWHY-ONGXEEELSA-N 0 0 301.350 0.694 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CCCNC(=O)[C@H]2C)CC1=O ZINC000188907236 158548510 /nfs/dbraw/zinc/54/85/10/158548510.db2.gz MQVKBKRKNYZZPF-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc(C)[nH]c2=O)CC1=O ZINC000189056149 158549880 /nfs/dbraw/zinc/54/98/80/158549880.db2.gz RAYZJRLMQASFNV-UHFFFAOYSA-N 0 0 307.350 0.004 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cccnc1N1CCOCC1 ZINC000189233794 158550992 /nfs/dbraw/zinc/55/09/92/158550992.db2.gz GGFQAQJODADQSE-LBPRGKRZSA-N 0 0 318.377 0.269 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000189593282 158553618 /nfs/dbraw/zinc/55/36/18/158553618.db2.gz XMNURAIBZZOOHB-LBPRGKRZSA-N 0 0 309.414 0.562 10 0 DCAERN Cc1nn(C)cc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000189707495 158554395 /nfs/dbraw/zinc/55/43/95/158554395.db2.gz UHHYOCNWYXURKU-RISCZKNCSA-N 0 0 307.398 0.913 10 0 DCAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Cn1cccn1 ZINC000190394539 158559978 /nfs/dbraw/zinc/55/99/78/158559978.db2.gz FLRLFLBAPCGFCE-LLVKDONJSA-N 0 0 305.382 0.439 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c(C)c1 ZINC000191043035 158565235 /nfs/dbraw/zinc/56/52/35/158565235.db2.gz TYXXLDWHLVRPJX-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(CCO)CC(F)F)cc1 ZINC000194369979 158596054 /nfs/dbraw/zinc/59/60/54/158596054.db2.gz YVJRNQMOFYSZOI-UHFFFAOYSA-N 0 0 316.304 0.511 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCC(n2cncn2)CC1 ZINC000194710718 158600183 /nfs/dbraw/zinc/60/01/83/158600183.db2.gz UUJWRCHLSMFCHJ-UHFFFAOYSA-N 0 0 312.337 0.122 10 0 DCAERN CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000246279003 158660410 /nfs/dbraw/zinc/66/04/10/158660410.db2.gz UDICPIXIQSCLCQ-YDHLFZDLSA-N 0 0 305.378 0.878 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nc(N)nc(N(C)C)n3)[C@@H]2C1 ZINC000247080954 158676620 /nfs/dbraw/zinc/67/66/20/158676620.db2.gz VYEVSGMPGNEPAX-UTUOFQBUSA-N 0 0 322.413 0.288 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000247559284 158684515 /nfs/dbraw/zinc/68/45/15/158684515.db2.gz UPGIKLAQLBNBBM-XUXIUFHCSA-N 0 0 312.410 0.944 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000249288610 158704586 /nfs/dbraw/zinc/70/45/86/158704586.db2.gz JSSUPSSJDJOHPD-RWMBFGLXSA-N 0 0 303.424 0.941 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250655634 158712380 /nfs/dbraw/zinc/71/23/80/158712380.db2.gz BEHRVFICINRWBI-GXTWGEPZSA-N 0 0 319.423 0.896 10 0 DCAERN CCc1cnc(N2CCN(Cc3noc(CN)n3)CC2)s1 ZINC000261883417 158750254 /nfs/dbraw/zinc/75/02/54/158750254.db2.gz YVABAHJGPMBRDI-UHFFFAOYSA-N 0 0 308.411 0.869 10 0 DCAERN Nc1nccnc1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262197843 158784443 /nfs/dbraw/zinc/78/44/43/158784443.db2.gz HRRSULVXUUQHIA-LBPRGKRZSA-N 0 0 311.345 0.984 10 0 DCAERN COC(=O)CN1CCC([NH2+]C[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000263098177 158856276 /nfs/dbraw/zinc/85/62/76/158856276.db2.gz WAZJKNQDLCCHFT-LBPRGKRZSA-N 0 0 300.399 0.960 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000300158379 158978410 /nfs/dbraw/zinc/97/84/10/158978410.db2.gz CJZNBWPWUCONHB-YFKTTZPYSA-N 0 0 305.396 0.361 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000323363818 159012488 /nfs/dbraw/zinc/01/24/88/159012488.db2.gz XVWHYXUNTQNQIY-QGZVFWFLSA-N 0 0 313.357 0.930 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCN(C2CC2)C(=O)C1 ZINC000328646349 159016640 /nfs/dbraw/zinc/01/66/40/159016640.db2.gz AYRGBPTXNPEPSO-UHFFFAOYSA-N 0 0 313.317 0.177 10 0 DCAERN Cc1cc(CN2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)on1 ZINC000328681707 159020294 /nfs/dbraw/zinc/02/02/94/159020294.db2.gz VGIOWGFJBGBLLX-OAHLLOKOSA-N 0 0 304.394 0.864 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@@H]1c1ncon1)N1CCCCC1=O ZINC000328712305 159023061 /nfs/dbraw/zinc/02/30/61/159023061.db2.gz BNNUCOWSAAGROQ-VXGBXAGGSA-N 0 0 322.365 0.761 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867531 159035997 /nfs/dbraw/zinc/03/59/97/159035997.db2.gz GZTKFQUBCQOUNA-UWVGGRQHSA-N 0 0 309.391 0.392 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872306 159036282 /nfs/dbraw/zinc/03/62/82/159036282.db2.gz DVFXKUAOIOCZRV-LSDHHAIUSA-N 0 0 323.437 0.711 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000329143129 159066231 /nfs/dbraw/zinc/06/62/31/159066231.db2.gz VKYAXCPSQROXGH-NEPJUHHUSA-N 0 0 304.350 0.462 10 0 DCAERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000329176440 159070338 /nfs/dbraw/zinc/07/03/38/159070338.db2.gz MVVUSGBEYBYMMU-WDEREUQCSA-N 0 0 317.411 0.378 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000329187730 159071505 /nfs/dbraw/zinc/07/15/05/159071505.db2.gz QETCINLCSBTDCJ-JTQLQIEISA-N 0 0 313.321 0.920 10 0 DCAERN CN(Cc1ccccc1)C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329197272 159072095 /nfs/dbraw/zinc/07/20/95/159072095.db2.gz VFSHRKDHJKZUSP-LSDHHAIUSA-N 0 0 322.430 0.764 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC=C(c2ccncc2)C1 ZINC000329213573 159074465 /nfs/dbraw/zinc/07/44/65/159074465.db2.gz JQPMTRAEQDZOLP-JKSUJKDBSA-N 0 0 315.373 0.679 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NCc1ccnc2ccnn21 ZINC000329229088 159074972 /nfs/dbraw/zinc/07/49/72/159074972.db2.gz CISBXVNLPXKEPK-LLVKDONJSA-N 0 0 309.395 0.938 10 0 DCAERN CCn1nc(C(=O)N2CC(n3ccnn3)C2)c(=O)c2ccccc21 ZINC000329251493 159076511 /nfs/dbraw/zinc/07/65/11/159076511.db2.gz BLCMQYLVFVKUOT-UHFFFAOYSA-N 0 0 324.344 0.705 10 0 DCAERN O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251386 159076691 /nfs/dbraw/zinc/07/66/91/159076691.db2.gz XZVKVCHIWCBKRE-ZBFHGGJFSA-N 0 0 314.401 0.810 10 0 DCAERN C[C@H]1C(=O)N([C@H]2CCCN(c3nccn(C)c3=O)C2)C(=O)N1C ZINC000329273337 159078485 /nfs/dbraw/zinc/07/84/85/159078485.db2.gz IEFJXZUBNMRMLS-QWRGUYRKSA-N 0 0 319.365 0.032 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329306811 159081668 /nfs/dbraw/zinc/08/16/68/159081668.db2.gz BHCXPAZRTWUDEG-ZDUSSCGKSA-N 0 0 308.382 0.107 10 0 DCAERN c1cn2c(n1)C[C@@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329371273 159086006 /nfs/dbraw/zinc/08/60/06/159086006.db2.gz AWRKAKFMDFIXCT-RYUDHWBXSA-N 0 0 300.366 0.668 10 0 DCAERN Cc1nnc([C@@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)[nH]1 ZINC000329436288 159092834 /nfs/dbraw/zinc/09/28/34/159092834.db2.gz JUUAPNCZEGNRHP-DGCLKSJQSA-N 0 0 307.398 0.540 10 0 DCAERN O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000329443997 159093224 /nfs/dbraw/zinc/09/32/24/159093224.db2.gz BALRRTQZSBUIDA-NSHDSACASA-N 0 0 302.338 0.419 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)COC[C@@H]1CCOC1 ZINC000329565619 159103232 /nfs/dbraw/zinc/10/32/32/159103232.db2.gz OKNUAVSBJKAOIX-MNOVXSKESA-N 0 0 302.396 0.029 10 0 DCAERN C[C@@H](CNS(=O)(=O)[C@H]1CCO[C@H](C)C1)N1CCOCC1 ZINC000329596740 159105455 /nfs/dbraw/zinc/10/54/55/159105455.db2.gz PGDHWKBKVBSJQT-XQQFMLRXSA-N 0 0 306.428 0.194 10 0 DCAERN O=C(Cc1noc([C@H]2CCCN2C2CC2)n1)N1CCOCC1 ZINC000329683312 159111817 /nfs/dbraw/zinc/11/18/17/159111817.db2.gz SWRGMPAYCRYUSH-GFCCVEGCSA-N 0 0 306.366 0.770 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000329709652 159114347 /nfs/dbraw/zinc/11/43/47/159114347.db2.gz NFDRXVMDWGJTSU-ZDUSSCGKSA-N 0 0 322.390 0.736 10 0 DCAERN CN1CN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1=O ZINC000329801197 159120348 /nfs/dbraw/zinc/12/03/48/159120348.db2.gz YRGSDVPFEIRAOF-GFCCVEGCSA-N 0 0 321.402 0.540 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000329864584 159124047 /nfs/dbraw/zinc/12/40/47/159124047.db2.gz SSIDYRQBMFSBRK-PWSUYJOCSA-N 0 0 304.350 0.580 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329935275 159130059 /nfs/dbraw/zinc/13/00/59/159130059.db2.gz QXBDBVLPYMRSIS-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN CC[C@H]1CN(C(=O)C2(O)CCOCC2)C[C@@H]1N1CCOCC1 ZINC000330001147 159134356 /nfs/dbraw/zinc/13/43/56/159134356.db2.gz AANALLFWCOWSAP-KBPBESRZSA-N 0 0 312.410 0.097 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3(O)CCOCC3)CCO2)n1 ZINC000330006237 159135410 /nfs/dbraw/zinc/13/54/10/159135410.db2.gz DVSZYQSXICNIGK-CQSZACIVSA-N 0 0 323.393 0.269 10 0 DCAERN C[C@@H](CC(=O)N(C)CCN1CCOCC1)N1CCCCC1=O ZINC000330034315 159136961 /nfs/dbraw/zinc/13/69/61/159136961.db2.gz WHEJZSGYACTMIA-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN C[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)N1CCOCC1 ZINC000330073044 159139209 /nfs/dbraw/zinc/13/92/09/159139209.db2.gz ZNEHFMROIPAXCY-CZUORRHYSA-N 0 0 312.410 0.504 10 0 DCAERN O=C(CS(=O)(=O)[C@@H]1CCOC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000330135114 159144989 /nfs/dbraw/zinc/14/49/89/159144989.db2.gz MQGRHMMKAXSDQA-JHJVBQTASA-N 0 0 317.407 0.360 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H]1CCCOC1 ZINC000330170245 159147070 /nfs/dbraw/zinc/14/70/70/159147070.db2.gz BSESLASFRCVIHU-KGLIPLIRSA-N 0 0 318.439 0.876 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCOCC(F)(F)F ZINC000330412273 159170501 /nfs/dbraw/zinc/17/05/01/159170501.db2.gz BDHCPBSVQDJLJQ-MRVPVSSYSA-N 0 0 300.302 0.603 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccccc2F)C1 ZINC000330508905 159183317 /nfs/dbraw/zinc/18/33/17/159183317.db2.gz GYQBPLAVAKCVHW-RYUDHWBXSA-N 0 0 303.355 0.737 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000330527674 159187075 /nfs/dbraw/zinc/18/70/75/159187075.db2.gz XNPZNXZXWZJDNV-IUCAKERBSA-N 0 0 307.318 0.735 10 0 DCAERN C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)[C@H]1CCCCO1 ZINC000332755146 159212764 /nfs/dbraw/zinc/21/27/64/159212764.db2.gz KHRLGWLTFHSEJT-RWMBFGLXSA-N 0 0 323.397 0.856 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)COC[C@@H]2CCOC2)C1 ZINC000332928541 159217320 /nfs/dbraw/zinc/21/73/20/159217320.db2.gz OBPIKTJASOCXSW-ZIAGYGMSSA-N 0 0 322.409 0.558 10 0 DCAERN C[C@@H](CNC(=O)N1CCO[C@@H](C2CC2)C1)CN1CCOCC1 ZINC000332959355 159218062 /nfs/dbraw/zinc/21/80/62/159218062.db2.gz BJZYBJQQUKBSJF-DZGCQCFKSA-N 0 0 311.426 0.775 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)NCCc2cn[nH]c2)C[C@@H](C)O1 ZINC000360295520 159265628 /nfs/dbraw/zinc/26/56/28/159265628.db2.gz GABWMGVOYIHNGE-CHWSQXEVSA-N 0 0 309.414 0.703 10 0 DCAERN CCn1nccc1C=CC(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000366789336 159287741 /nfs/dbraw/zinc/28/77/41/159287741.db2.gz QCPWBCPDFYBJOY-GJBLVYBDSA-N 0 0 317.393 0.932 10 0 DCAERN COCC1(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000367075811 159311227 /nfs/dbraw/zinc/31/12/27/159311227.db2.gz XUZJLMGARTZVJX-CYBMUJFWSA-N 0 0 310.394 0.699 10 0 DCAERN CN(CCCO)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000367092716 159312052 /nfs/dbraw/zinc/31/20/52/159312052.db2.gz GVYYRJOHLIUTKU-UHFFFAOYSA-N 0 0 304.412 0.031 10 0 DCAERN COCCS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367230994 159322988 /nfs/dbraw/zinc/32/29/88/159322988.db2.gz LRQGPIAJCBSMPI-NWDGAFQWSA-N 0 0 307.412 0.120 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000367486874 159340587 /nfs/dbraw/zinc/34/05/87/159340587.db2.gz VLHCDMJKLHZWFP-UTUOFQBUSA-N 0 0 304.412 0.340 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2ccc(F)cn2)CC1 ZINC000367659476 159349058 /nfs/dbraw/zinc/34/90/58/159349058.db2.gz LSUWXYCISFCANR-AWEZNQCLSA-N 0 0 322.384 0.326 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCO1 ZINC000368151889 159379066 /nfs/dbraw/zinc/37/90/66/159379066.db2.gz ODXSJYNUPIUMMZ-XQQFMLRXSA-N 0 0 312.366 0.527 10 0 DCAERN CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)N1CCCC1=O ZINC000369816737 159479775 /nfs/dbraw/zinc/47/97/75/159479775.db2.gz GXDWOLXOMVVWOY-LOWDOPEQSA-N 0 0 307.394 0.513 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000371239918 159554518 /nfs/dbraw/zinc/55/45/18/159554518.db2.gz AIDZRGRGQNHVHM-TUAOUCFPSA-N 0 0 319.427 0.276 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@@H]3O)C2)cn1 ZINC000371839012 159589959 /nfs/dbraw/zinc/58/99/59/159589959.db2.gz PCMNPCYQEGVXPB-IPYPFGDCSA-N 0 0 321.425 0.849 10 0 DCAERN Cn1cc(S(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000373670793 159692308 /nfs/dbraw/zinc/69/23/08/159692308.db2.gz IFPZXOHQDNSEQF-CYBMUJFWSA-N 0 0 315.395 0.379 10 0 DCAERN C[C@H]1CN(Cc2nc(CC(F)(F)F)no2)CCS1(=O)=O ZINC000407951216 159995184 /nfs/dbraw/zinc/99/51/84/159995184.db2.gz JRRFWOYVNUVBLG-ZETCQYMHSA-N 0 0 313.301 0.793 10 0 DCAERN C[C@@H]1CC(CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000407955249 159996623 /nfs/dbraw/zinc/99/66/23/159996623.db2.gz QRDLCZKLYTXWLZ-FOGDFJRCSA-N 0 0 319.427 0.262 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407962292 159998108 /nfs/dbraw/zinc/99/81/08/159998108.db2.gz ADRZDBCFYAKVBP-NSHDSACASA-N 0 0 307.394 0.515 10 0 DCAERN C[C@H]1CN(C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1C ZINC000407972967 160000239 /nfs/dbraw/zinc/00/02/39/160000239.db2.gz OPHWQPIOXIYPFU-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407976219 160001009 /nfs/dbraw/zinc/00/10/09/160001009.db2.gz ZEVKKFRNMKAGRN-QWRGUYRKSA-N 0 0 321.425 0.840 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)NCCC(=O)N1CCCCC1 ZINC000407984262 160002404 /nfs/dbraw/zinc/00/24/04/160002404.db2.gz IJZQAPGDGSBETG-GFCCVEGCSA-N 0 0 324.425 0.745 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC(C)(O)C1)C2=O ZINC000407983417 160002656 /nfs/dbraw/zinc/00/26/56/160002656.db2.gz CRZABHCSJFFIHF-UHFFFAOYSA-N 0 0 309.366 0.080 10 0 DCAERN C[C@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000407983775 160002862 /nfs/dbraw/zinc/00/28/62/160002862.db2.gz RMVVAFLZOIIZEW-CHWSQXEVSA-N 0 0 309.410 0.857 10 0 DCAERN O=C(CCNC(=O)N[C@@H]1CCCNC1=O)N1CCCCCC1 ZINC000407985142 160003414 /nfs/dbraw/zinc/00/34/14/160003414.db2.gz LULBGLMJBLGLEM-GFCCVEGCSA-N 0 0 310.398 0.357 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@@H]2C1 ZINC000407989599 160004240 /nfs/dbraw/zinc/00/42/40/160004240.db2.gz IAKRZMMDOASYQB-UTUOFQBUSA-N 0 0 315.395 0.377 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000407990689 160004524 /nfs/dbraw/zinc/00/45/24/160004524.db2.gz QDMRMIDEFXBNFJ-OCCSQVGLSA-N 0 0 323.437 0.912 10 0 DCAERN CN1C[C@@H](NC(=O)C2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000407995169 160006084 /nfs/dbraw/zinc/00/60/84/160006084.db2.gz GPNVHNUKAZZSSQ-NSHDSACASA-N 0 0 321.343 0.998 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407993798 160006286 /nfs/dbraw/zinc/00/62/86/160006286.db2.gz UNAFTRAGFMBAPE-SECBINFHSA-N 0 0 316.383 0.701 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000407999466 160007014 /nfs/dbraw/zinc/00/70/14/160007014.db2.gz VZETVKNOQMLZCT-SDDRHHMPSA-N 0 0 305.444 0.617 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@]2(C)CCCO2)CC1 ZINC000408003293 160007804 /nfs/dbraw/zinc/00/78/04/160007804.db2.gz JGZYIGFDCGWHQD-CYBMUJFWSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cn[nH]c1 ZINC000408005990 160009077 /nfs/dbraw/zinc/00/90/77/160009077.db2.gz UUPZLRFDCLBJLV-JTQLQIEISA-N 0 0 315.399 0.148 10 0 DCAERN CN1C(=O)CCc2cc(C(=O)N[C@H]3CCCNC3=O)ccc21 ZINC000408007598 160009494 /nfs/dbraw/zinc/00/94/94/160009494.db2.gz JDBMJTLYXCNYIG-LBPRGKRZSA-N 0 0 301.346 0.604 10 0 DCAERN C[C@H](O)[C@H]1C[C@H](C)CCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015559 160010953 /nfs/dbraw/zinc/01/09/53/160010953.db2.gz CIAONWUOXPCCSR-YVECIDJPSA-N 0 0 318.439 0.707 10 0 DCAERN CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)N1CCCCC1 ZINC000408015187 160011303 /nfs/dbraw/zinc/01/13/03/160011303.db2.gz BATGCAWINXRLMD-RYUDHWBXSA-N 0 0 308.444 0.465 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1 ZINC000408015087 160011387 /nfs/dbraw/zinc/01/13/87/160011387.db2.gz AAJGHDZXGWDKDB-NEPJUHHUSA-N 0 0 300.380 0.682 10 0 DCAERN CN(C(=O)NC[C@]1(C)CCCC[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000408020028 160013470 /nfs/dbraw/zinc/01/34/70/160013470.db2.gz YSPXBDBRLOTOIF-BZPMIXESSA-N 0 0 318.439 0.756 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000408021815 160013765 /nfs/dbraw/zinc/01/37/65/160013765.db2.gz OUDLDKMAGKWIOC-HNNXBMFYSA-N 0 0 317.349 0.315 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408022158 160014221 /nfs/dbraw/zinc/01/42/21/160014221.db2.gz RJRBNPPOHJLSJD-ZIAGYGMSSA-N 0 0 305.378 0.944 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408024419 160014724 /nfs/dbraw/zinc/01/47/24/160014724.db2.gz AOJJIURSQSCJIH-LBPRGKRZSA-N 0 0 319.427 0.231 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cn1 ZINC000408028557 160015506 /nfs/dbraw/zinc/01/55/06/160015506.db2.gz PUUMCSXVRNIFRL-KBPBESRZSA-N 0 0 311.407 0.484 10 0 DCAERN COC[C@@H]1CN(c2nc3c(cnn3C)c(=O)[nH]2)CC(C)(C)O1 ZINC000408029084 160015916 /nfs/dbraw/zinc/01/59/16/160015916.db2.gz BBQCJLLWNMWCLJ-VIFPVBQESA-N 0 0 307.354 0.699 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CCSC3)C2)c1=O ZINC000408036279 160018338 /nfs/dbraw/zinc/01/83/38/160018338.db2.gz QVSVKTFJZOXXOJ-VXGBXAGGSA-N 0 0 322.434 0.618 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408040591 160019380 /nfs/dbraw/zinc/01/93/80/160019380.db2.gz CGKOVUOXGNMSSL-PRHODGIISA-N 0 0 318.299 0.825 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408040562 160019866 /nfs/dbraw/zinc/01/98/66/160019866.db2.gz CEFWNRPOQZVSLI-JHJVBQTASA-N 0 0 309.414 0.790 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC000408042289 160020787 /nfs/dbraw/zinc/02/07/87/160020787.db2.gz RDZYEKIVIIIFLL-NJEYBTAUSA-N 0 0 302.440 0.513 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cnc3n[nH]c(C)c3c2)C1 ZINC000408046167 160021927 /nfs/dbraw/zinc/02/19/27/160021927.db2.gz AYTQMEKXHJQQBG-OAHLLOKOSA-N 0 0 317.349 0.578 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCC2)[C@@H]1c1nc(C2CC2)no1 ZINC000408047019 160022618 /nfs/dbraw/zinc/02/26/18/160022618.db2.gz OFGWSBUWADMGST-MFKMUULPSA-N 0 0 306.366 0.941 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@@H](F)C[C@H]3CO)cnc12 ZINC000408049845 160023358 /nfs/dbraw/zinc/02/33/58/160023358.db2.gz AXBXCGKLNNHCRR-QWRGUYRKSA-N 0 0 305.309 0.548 10 0 DCAERN CSC1(CNC(=O)[C@@H]2CCN(C(C)=O)C2)CCOCC1 ZINC000408049652 160023538 /nfs/dbraw/zinc/02/35/38/160023538.db2.gz CLUSSUVVHNRPFD-GFCCVEGCSA-N 0 0 300.424 0.883 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(OCC3CC3)CC2)C1 ZINC000408053784 160024336 /nfs/dbraw/zinc/02/43/36/160024336.db2.gz PNVWWIFZIUIKDZ-QGZVFWFLSA-N 0 0 324.421 0.777 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000408054826 160024395 /nfs/dbraw/zinc/02/43/95/160024395.db2.gz UXMJYJPBJLPAEA-SQWLQELKSA-N 0 0 312.410 0.537 10 0 DCAERN O=C(c1ccccn1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052657 160024647 /nfs/dbraw/zinc/02/46/47/160024647.db2.gz LSKDSDQNNMCDSS-YPMHNXCESA-N 0 0 307.325 0.493 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)nc1C ZINC000408058817 160025716 /nfs/dbraw/zinc/02/57/16/160025716.db2.gz MJMZKNLCWLDXNY-MWLCHTKSSA-N 0 0 314.411 0.486 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2COCCO2)C1 ZINC000408058856 160025939 /nfs/dbraw/zinc/02/59/39/160025939.db2.gz NGTAZWGFHZGYSB-MXWKQRLJSA-N 0 0 324.299 0.460 10 0 DCAERN CSC1(CNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCC1 ZINC000408062330 160026562 /nfs/dbraw/zinc/02/65/62/160026562.db2.gz YRLKSTCUEXUOFX-CQSZACIVSA-N 0 0 300.424 0.762 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000408073764 160030050 /nfs/dbraw/zinc/03/00/50/160030050.db2.gz MXZFRIXHSJNFSP-GHMZBOCLSA-N 0 0 305.444 0.856 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000408076536 160030371 /nfs/dbraw/zinc/03/03/71/160030371.db2.gz KDSXKEZWTZMNLE-STQMWFEESA-N 0 0 305.444 0.273 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408083232 160031817 /nfs/dbraw/zinc/03/18/17/160031817.db2.gz IOWPBJYAVDHURH-MYPMTAMASA-N 0 0 311.426 0.469 10 0 DCAERN C[C@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C[C@H]1O ZINC000408093303 160034274 /nfs/dbraw/zinc/03/42/74/160034274.db2.gz AUKRIJLPPVVXKK-GXTWGEPZSA-N 0 0 305.378 0.761 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCOCC1 ZINC000408092319 160034307 /nfs/dbraw/zinc/03/43/07/160034307.db2.gz YQMSCYUPEOKAQH-UHFFFAOYSA-N 0 0 313.379 0.801 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000408094485 160034483 /nfs/dbraw/zinc/03/44/83/160034483.db2.gz SGPLFYLHUGTWLT-WXHSDQCUSA-N 0 0 312.435 0.917 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCOC2)cn1C ZINC000408100115 160035884 /nfs/dbraw/zinc/03/58/84/160035884.db2.gz PXWUSNYIDHDUSJ-JTQLQIEISA-N 0 0 315.395 0.136 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000408106679 160037363 /nfs/dbraw/zinc/03/73/63/160037363.db2.gz YZQROXVUSSRDHX-CYBMUJFWSA-N 0 0 305.444 0.106 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000408111911 160037831 /nfs/dbraw/zinc/03/78/31/160037831.db2.gz IRXZAUSXHRXSTC-RYUDHWBXSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000408112346 160038513 /nfs/dbraw/zinc/03/85/13/160038513.db2.gz KALUDFNDWWAMIF-RISCZKNCSA-N 0 0 303.362 0.939 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408112168 160038756 /nfs/dbraw/zinc/03/87/56/160038756.db2.gz ITEBDEXEGSDSFU-NSHDSACASA-N 0 0 310.398 0.260 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@](F)(CO)C2)C1 ZINC000408120051 160040113 /nfs/dbraw/zinc/04/01/13/160040113.db2.gz SDDGQUQUSIKOAR-DOMZBBRYSA-N 0 0 300.374 0.958 10 0 DCAERN C[C@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)[S@@](C)=O ZINC000408120915 160041255 /nfs/dbraw/zinc/04/12/55/160041255.db2.gz BBWXUASELYEDKB-MLCYQJTMSA-N 0 0 312.457 0.089 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC000408128483 160042950 /nfs/dbraw/zinc/04/29/50/160042950.db2.gz JNWNNBOJVRUJHE-UHFFFAOYSA-N 0 0 312.414 0.507 10 0 DCAERN CC(C)C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CO)C2)CCO1 ZINC000408130775 160043728 /nfs/dbraw/zinc/04/37/28/160043728.db2.gz FHBRWKRCHPFELR-MCIONIFRSA-N 0 0 300.399 0.983 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000408132090 160044168 /nfs/dbraw/zinc/04/41/68/160044168.db2.gz JGOMYVYBSNKTGP-ZIAGYGMSSA-N 0 0 319.471 0.472 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1O ZINC000408133893 160044232 /nfs/dbraw/zinc/04/42/32/160044232.db2.gz QDZKLKVFKVCRBV-NWDGAFQWSA-N 0 0 310.394 0.781 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408132418 160044428 /nfs/dbraw/zinc/04/44/28/160044428.db2.gz JSLKQCOLIRTPFN-OLZOCXBDSA-N 0 0 317.455 0.954 10 0 DCAERN CC(C)[C@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCO1 ZINC000408138266 160045639 /nfs/dbraw/zinc/04/56/39/160045639.db2.gz JJQKDBHRTZVMIN-JHJVBQTASA-N 0 0 306.428 0.697 10 0 DCAERN CN(C[C@H]1CCCC[C@H]1O)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408140558 160046032 /nfs/dbraw/zinc/04/60/32/160046032.db2.gz KFMFPPPVWVPBOF-GHMZBOCLSA-N 0 0 311.382 0.326 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000408160700 160049784 /nfs/dbraw/zinc/04/97/84/160049784.db2.gz JTWOELPRVBQRHJ-CIUDSAMLSA-N 0 0 304.372 0.383 10 0 DCAERN CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)CC1CC1 ZINC000408163339 160050486 /nfs/dbraw/zinc/05/04/86/160050486.db2.gz CJFVZAKZZVNCKE-NSHDSACASA-N 0 0 306.453 0.968 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000408169104 160051731 /nfs/dbraw/zinc/05/17/31/160051731.db2.gz LFULFVCGFBKYON-STQMWFEESA-N 0 0 309.410 0.759 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000408180982 160054200 /nfs/dbraw/zinc/05/42/00/160054200.db2.gz YOMFIDUUYDWOIN-VIFPVBQESA-N 0 0 312.347 0.179 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189817 160055848 /nfs/dbraw/zinc/05/58/48/160055848.db2.gz QJSRJCCTJHHFMK-GZMMTYOYSA-N 0 0 311.304 0.610 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408187905 160055861 /nfs/dbraw/zinc/05/58/61/160055861.db2.gz QOODNGXRHNHZLN-YPMHNXCESA-N 0 0 304.412 0.031 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC([C@H](C)O)CC3)nc2n1 ZINC000408188754 160056268 /nfs/dbraw/zinc/05/62/68/160056268.db2.gz ITCBYJIEFHXQCN-LBPRGKRZSA-N 0 0 317.393 0.903 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)c1 ZINC000408200518 160058394 /nfs/dbraw/zinc/05/83/94/160058394.db2.gz CQYLHZOYXJMTID-KBPBESRZSA-N 0 0 316.405 0.953 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CC(=O)N1 ZINC000408200995 160058500 /nfs/dbraw/zinc/05/85/00/160058500.db2.gz CRLLSQLTVWEVJY-RFQIPJPRSA-N 0 0 311.426 0.205 10 0 DCAERN C[C@H]1N(C(=O)Cn2ccc(=O)[nH]c2=O)CCC12CCOCC2 ZINC000408198936 160058694 /nfs/dbraw/zinc/05/86/94/160058694.db2.gz PIBIEEWYRCTBSJ-LLVKDONJSA-N 0 0 307.350 0.367 10 0 DCAERN Cc1cc(C(=O)N2CCN(c3nccn3C)CC2)nc(C)n1 ZINC000408203375 160058967 /nfs/dbraw/zinc/05/89/67/160058967.db2.gz QCTSMXTZOADYSU-UHFFFAOYSA-N 0 0 300.366 0.789 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCC1=O ZINC000408204971 160059236 /nfs/dbraw/zinc/05/92/36/160059236.db2.gz INCRDCULBVSDIV-GFCCVEGCSA-N 0 0 324.425 0.507 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC(=O)N1 ZINC000408206247 160060088 /nfs/dbraw/zinc/06/00/88/160060088.db2.gz SYHBLBVSRTVOPW-JHJVBQTASA-N 0 0 319.409 0.420 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408218555 160062325 /nfs/dbraw/zinc/06/23/25/160062325.db2.gz SSAADTHSDXQWCI-QWHCGFSZSA-N 0 0 310.398 0.306 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408217975 160062552 /nfs/dbraw/zinc/06/25/52/160062552.db2.gz OKNHTIIDCLGSKY-SECBINFHSA-N 0 0 316.383 0.830 10 0 DCAERN CN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C1CC(O)C1 ZINC000408220646 160063309 /nfs/dbraw/zinc/06/33/09/160063309.db2.gz YGXGIDXHLDJPPI-UHFFFAOYSA-N 0 0 323.393 0.565 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(F)F ZINC000408233897 160065471 /nfs/dbraw/zinc/06/54/71/160065471.db2.gz YHSBRBBJBWNRLN-LDYMZIIASA-N 0 0 322.377 0.960 10 0 DCAERN O=S(=O)(N(C[C@H]1CCCO1)C1CCCC1)N1CCOCC1 ZINC000408235116 160066087 /nfs/dbraw/zinc/06/60/87/160066087.db2.gz HCVHQAAKPRUPCW-CQSZACIVSA-N 0 0 318.439 0.987 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000408236318 160066292 /nfs/dbraw/zinc/06/62/92/160066292.db2.gz HXULRQWQVJZKFA-VHSXEESVSA-N 0 0 322.377 0.774 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cnns1 ZINC000408240441 160066788 /nfs/dbraw/zinc/06/67/88/160066788.db2.gz CVJGPDLKJWOWPK-YUMQZZPRSA-N 0 0 304.397 0.128 10 0 DCAERN CN(C)c1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc(=O)[nH]1 ZINC000408242432 160067698 /nfs/dbraw/zinc/06/76/98/160067698.db2.gz UMEPXBATJOKGPX-MWLCHTKSSA-N 0 0 319.365 0.131 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCC[C@H](S(C)(=O)=O)C1 ZINC000408247645 160069016 /nfs/dbraw/zinc/06/90/16/160069016.db2.gz PMVQHQMLLOOXCA-JTQLQIEISA-N 0 0 301.416 0.437 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252426 160069771 /nfs/dbraw/zinc/06/97/71/160069771.db2.gz QJZMNYQRMLEPRL-DOMZBBRYSA-N 0 0 305.382 0.583 10 0 DCAERN CNC(=O)N[C@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256100 160070644 /nfs/dbraw/zinc/07/06/44/160070644.db2.gz KGRSMRLQOZEQNE-DTWKUNHWSA-N 0 0 308.304 0.153 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 ZINC000408262199 160072037 /nfs/dbraw/zinc/07/20/37/160072037.db2.gz HGIQUBFVWFXSDL-PWSUYJOCSA-N 0 0 302.334 0.064 10 0 DCAERN Cn1nc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC(F)F ZINC000408265954 160072290 /nfs/dbraw/zinc/07/22/90/160072290.db2.gz VXQONCPLERMJHB-NRPADANISA-N 0 0 301.293 0.864 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408269468 160072740 /nfs/dbraw/zinc/07/27/40/160072740.db2.gz JTGCRSOFIRVOIM-JTQLQIEISA-N 0 0 313.379 0.249 10 0 DCAERN Cn1cc(C[C@@H](O)C(=O)N2CCC[C@@]3(CCCOC3)C2)cn1 ZINC000408274871 160074444 /nfs/dbraw/zinc/07/44/44/160074444.db2.gz PXJNAHUTOJEVPH-GDBMZVCRSA-N 0 0 307.394 0.743 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408276606 160074644 /nfs/dbraw/zinc/07/46/44/160074644.db2.gz JSXAJPJGUHVBDG-LNLATYFQSA-N 0 0 309.370 0.074 10 0 DCAERN C[C@@H](C(=O)N1CCOc2ccc(F)cc2C1)S(C)(=O)=O ZINC000408279971 160075259 /nfs/dbraw/zinc/07/52/59/160075259.db2.gz MCNMBFNGBHXWRD-VIFPVBQESA-N 0 0 301.339 0.980 10 0 DCAERN Cc1ccnc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000408292271 160077332 /nfs/dbraw/zinc/07/73/32/160077332.db2.gz RRTGTLANZVOMJJ-MNOVXSKESA-N 0 0 312.395 0.375 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408290301 160077523 /nfs/dbraw/zinc/07/75/23/160077523.db2.gz IMXADWGEHAKPEK-RBOXIYTFSA-N 0 0 308.378 0.137 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCN(C(C)=O)CC1(C)C ZINC000408291512 160077678 /nfs/dbraw/zinc/07/76/78/160077678.db2.gz YZDUMDDFEBUAFS-UHFFFAOYSA-N 0 0 314.411 0.534 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)CNC(=O)c1ccco1)CCO2 ZINC000408298834 160079191 /nfs/dbraw/zinc/07/91/91/160079191.db2.gz RANOBEIIPHUCMX-NHYWBVRUSA-N 0 0 308.334 0.416 10 0 DCAERN C[C@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000408297773 160079379 /nfs/dbraw/zinc/07/93/79/160079379.db2.gz KIYGDKPZMWIWKT-XHDPSFHLSA-N 0 0 313.398 0.491 10 0 DCAERN CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408301857 160080007 /nfs/dbraw/zinc/08/00/07/160080007.db2.gz CVHUWDDZDXAFOD-HZSPNIEDSA-N 0 0 319.471 0.803 10 0 DCAERN CN1CCc2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc2C1=O ZINC000408300910 160080143 /nfs/dbraw/zinc/08/01/43/160080143.db2.gz LGTRSTNLWSIOAG-CYBMUJFWSA-N 0 0 319.361 0.540 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000408300342 160080231 /nfs/dbraw/zinc/08/02/31/160080231.db2.gz YNOIJIFTVRNJRQ-ZJUUUORDSA-N 0 0 300.384 0.178 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cc(C(N)=O)co2)C[C@@]2(CCOC2)O1 ZINC000408306456 160081423 /nfs/dbraw/zinc/08/14/23/160081423.db2.gz QERYIYLACXYLBH-MEBBXXQBSA-N 0 0 323.349 0.468 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000408307421 160081761 /nfs/dbraw/zinc/08/17/61/160081761.db2.gz DSQCDXJCHFESGR-LBPRGKRZSA-N 0 0 319.409 0.847 10 0 DCAERN CC(C)N1C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](C)C1 ZINC000408315915 160083322 /nfs/dbraw/zinc/08/33/22/160083322.db2.gz MGZYIWNDUVVZAG-RYUDHWBXSA-N 0 0 302.440 0.799 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)C3(O)CCOCC3)C2)cn1 ZINC000408323263 160085078 /nfs/dbraw/zinc/08/50/78/160085078.db2.gz XWYZHDYCTMSIAQ-GFCCVEGCSA-N 0 0 308.382 0.047 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000408324190 160085227 /nfs/dbraw/zinc/08/52/27/160085227.db2.gz JFOXQDBUSAZJDK-XQQFMLRXSA-N 0 0 318.439 0.730 10 0 DCAERN CSc1c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cnn1C ZINC000408330759 160086328 /nfs/dbraw/zinc/08/63/28/160086328.db2.gz TWDKPGWFSCTABD-YPMHNXCESA-N 0 0 324.450 0.935 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)CC1CC1 ZINC000408331954 160086737 /nfs/dbraw/zinc/08/67/37/160086737.db2.gz PLYRMFDNIUMJOX-LLVKDONJSA-N 0 0 310.441 0.130 10 0 DCAERN CSc1c(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cnn1C ZINC000408332345 160087047 /nfs/dbraw/zinc/08/70/47/160087047.db2.gz SGIIRZIZTIOLIJ-QMMMGPOBSA-N 0 0 318.424 0.035 10 0 DCAERN Cc1nc(CN(C)[C@@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337329 160087632 /nfs/dbraw/zinc/08/76/32/160087632.db2.gz BWNVZUWHHREAOC-LLVKDONJSA-N 0 0 302.400 0.624 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408339445 160088372 /nfs/dbraw/zinc/08/83/72/160088372.db2.gz BZPVKIWAXAQJMI-GZBFAFLISA-N 0 0 304.394 0.804 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408344979 160088997 /nfs/dbraw/zinc/08/89/97/160088997.db2.gz CZCSYQJPHBMSSH-TZMCWYRMSA-N 0 0 318.439 0.758 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000408351193 160090443 /nfs/dbraw/zinc/09/04/43/160090443.db2.gz CJPPEUUBAKGVSM-UHFFFAOYSA-N 0 0 306.819 0.788 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408354314 160090904 /nfs/dbraw/zinc/09/09/04/160090904.db2.gz JMMXAPPPJQRZGK-XQQFMLRXSA-N 0 0 322.427 0.078 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000408354156 160090996 /nfs/dbraw/zinc/09/09/96/160090996.db2.gz IFNAZSHHSOXQHG-QWHCGFSZSA-N 0 0 306.428 0.843 10 0 DCAERN CO[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1OC ZINC000408363891 160092173 /nfs/dbraw/zinc/09/21/73/160092173.db2.gz BZUNQGGPTDUWEH-QWRGUYRKSA-N 0 0 305.396 0.216 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408381741 160096163 /nfs/dbraw/zinc/09/61/63/160096163.db2.gz NOLAGDHNQWNMOF-GHMZBOCLSA-N 0 0 309.366 0.344 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2nc3c(s2)CN(C)CC3)CC1 ZINC000408385238 160096527 /nfs/dbraw/zinc/09/65/27/160096527.db2.gz JKFVQSMAEQVCPD-UHFFFAOYSA-N 0 0 308.407 0.938 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@H](CO)C1)C(=O)N1CCCC[C@H]1C ZINC000408384176 160097008 /nfs/dbraw/zinc/09/70/08/160097008.db2.gz YYDLVSWENPSWLF-AGIUHOORSA-N 0 0 313.398 0.179 10 0 DCAERN CC(C)[C@](C)(O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000408402619 160101068 /nfs/dbraw/zinc/10/10/68/160101068.db2.gz IXFBXSVBXXJBKM-HNNXBMFYSA-N 0 0 318.381 0.180 10 0 DCAERN Cc1ocnc1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000408400851 160101369 /nfs/dbraw/zinc/10/13/69/160101369.db2.gz XYSDGVGRISEOIK-JTQLQIEISA-N 0 0 301.368 0.525 10 0 DCAERN CC1(C)CCC[C@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000408416909 160103341 /nfs/dbraw/zinc/10/33/41/160103341.db2.gz PGFWLSPHRCPNOV-CQSZACIVSA-N 0 0 318.439 0.469 10 0 DCAERN CNC(=O)CN1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408413794 160103406 /nfs/dbraw/zinc/10/34/06/160103406.db2.gz WGBDECQACXTRDR-UHFFFAOYSA-N 0 0 303.410 0.614 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](O)C1CCCCC1 ZINC000408413621 160103499 /nfs/dbraw/zinc/10/34/99/160103499.db2.gz CLFYAVNWCMWQFB-AAEUAGOBSA-N 0 0 303.424 0.821 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CO1 ZINC000408419077 160104117 /nfs/dbraw/zinc/10/41/17/160104117.db2.gz GQAGAAUSHLSIQM-GRYCIOLGSA-N 0 0 306.366 0.280 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000408418123 160104475 /nfs/dbraw/zinc/10/44/75/160104475.db2.gz UWSGPUFQBKXWHB-CFMSYZGJSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC(=O)N1 ZINC000408442668 160108425 /nfs/dbraw/zinc/10/84/25/160108425.db2.gz MJAUXVRAYXUHOM-WOPDTQHZSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000408464306 160113454 /nfs/dbraw/zinc/11/34/54/160113454.db2.gz DUGRSCUCXPIYBJ-MRCXROJRSA-N 0 0 322.336 0.860 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408472572 160115145 /nfs/dbraw/zinc/11/51/45/160115145.db2.gz VVSSQFMSTDKRQQ-GHMZBOCLSA-N 0 0 317.415 0.303 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccccc2)C[C@H](C)O1 ZINC000063000967 286902281 /nfs/dbraw/zinc/90/22/81/286902281.db2.gz XVPACIOMYHLLOQ-OBJOEFQTSA-N 0 0 314.407 0.664 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2ccnn2C)cn1C ZINC000074966707 286917525 /nfs/dbraw/zinc/91/75/25/286917525.db2.gz RKUSQSCIKULURV-UHFFFAOYSA-N 0 0 312.351 0.024 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000075437874 286917793 /nfs/dbraw/zinc/91/77/93/286917793.db2.gz OSDVNWXNGSDPEJ-PSASIEDQSA-N 0 0 316.427 0.022 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1 ZINC000091524847 286936037 /nfs/dbraw/zinc/93/60/37/286936037.db2.gz OFDAFGUBQLZWRH-UHFFFAOYSA-N 0 0 312.391 0.372 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000124217796 286963000 /nfs/dbraw/zinc/96/30/00/286963000.db2.gz HBOMXECNXNMEMU-VXNVDRBHSA-N 0 0 310.379 0.502 10 0 DCAERN CN(C)c1ncc(NC(=O)Cn2nnc(-c3ccccc3)n2)cn1 ZINC000125744439 286967793 /nfs/dbraw/zinc/96/77/93/286967793.db2.gz QEYARNHJSVJKIL-UHFFFAOYSA-N 0 0 324.348 0.835 10 0 DCAERN CCc1cc(NC(=O)C(=O)N(CCO)CCOC)ccc1C ZINC000129522988 286988627 /nfs/dbraw/zinc/98/86/27/286988627.db2.gz ORJHTSMVIWSIBB-UHFFFAOYSA-N 0 0 308.378 0.963 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000135583722 287023740 /nfs/dbraw/zinc/02/37/40/287023740.db2.gz JFDRWHBFJJFWHT-QMMMGPOBSA-N 0 0 314.748 0.842 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN(CCC)CC1 ZINC000151909023 287036667 /nfs/dbraw/zinc/03/66/67/287036667.db2.gz SHWQKYIDBSYPDV-UHFFFAOYSA-N 0 0 307.398 0.786 10 0 DCAERN CC(C)(C)c1noc(CCCC(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC000152166604 287039423 /nfs/dbraw/zinc/03/94/23/287039423.db2.gz DZPVPZKRQBIEGB-SECBINFHSA-N 0 0 322.365 0.611 10 0 DCAERN O=C([C@@H]1CSCCS1)N1CC[C@H](N2CCOCC2)C1 ZINC000177347406 287054340 /nfs/dbraw/zinc/05/43/40/287054340.db2.gz WSEMXJZDCBIHFW-RYUDHWBXSA-N 0 0 302.465 0.768 10 0 DCAERN O=C(CNC(=O)c1cc2c(cn1)nc[nH]c2=O)Nc1ccccc1 ZINC000186954076 287058229 /nfs/dbraw/zinc/05/82/29/287058229.db2.gz LNCADYRHKURNRF-UHFFFAOYSA-N 0 0 323.312 0.687 10 0 DCAERN O=C(Cn1cccn1)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000192570106 287059044 /nfs/dbraw/zinc/05/90/44/287059044.db2.gz JSKDEAOQISEMOJ-JTQLQIEISA-N 0 0 305.363 0.969 10 0 DCAERN COC(=O)CCN1CCN(Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC000192787116 287060212 /nfs/dbraw/zinc/06/02/12/287060212.db2.gz ICLJVMIDFSOFJG-LLVKDONJSA-N 0 0 311.386 0.205 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000246030501 287075395 /nfs/dbraw/zinc/07/53/95/287075395.db2.gz NNWNMDNSMUKXDF-AGIUHOORSA-N 0 0 320.393 0.908 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246056444 287075701 /nfs/dbraw/zinc/07/57/01/287075701.db2.gz CVYAWFQGEOPLGE-NWDGAFQWSA-N 0 0 316.427 0.596 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000246075816 287076169 /nfs/dbraw/zinc/07/61/69/287076169.db2.gz SOMQKRQOBITENY-YPMHNXCESA-N 0 0 318.439 0.826 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)[C@@H](C)CO1 ZINC000246220107 287079387 /nfs/dbraw/zinc/07/93/87/287079387.db2.gz UTKNHHQYDWTCJO-RYUDHWBXSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)[C@H](C)CO1 ZINC000246211780 287079427 /nfs/dbraw/zinc/07/94/27/287079427.db2.gz RXXLLTXIAVCRPL-SYQHCUMBSA-N 0 0 320.455 0.871 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@H](C)CO1 ZINC000246486013 287084276 /nfs/dbraw/zinc/08/42/76/287084276.db2.gz WZJACVMDWJVLFZ-UJPOAAIJSA-N 0 0 318.439 0.744 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000246763315 287087947 /nfs/dbraw/zinc/08/79/47/287087947.db2.gz OWKUTEMUOMPOBV-QNWHQSFQSA-N 0 0 306.428 0.433 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000246869444 287088723 /nfs/dbraw/zinc/08/87/23/287088723.db2.gz AISNSQBKWMWBCM-JHJVBQTASA-N 0 0 321.421 0.938 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000246651383 287086436 /nfs/dbraw/zinc/08/64/36/287086436.db2.gz OHBOVRGQZMPDJY-MXWKQRLJSA-N 0 0 308.382 0.093 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)COCc2ccco2)CCS1(=O)=O ZINC000247410978 287093716 /nfs/dbraw/zinc/09/37/16/287093716.db2.gz STCDXIAYFIVGEQ-VXGBXAGGSA-N 0 0 303.380 0.276 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247105922 287090777 /nfs/dbraw/zinc/09/07/77/287090777.db2.gz QTWHNPWCWBLJMF-KBPBESRZSA-N 0 0 319.405 0.847 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000247083488 287091051 /nfs/dbraw/zinc/09/10/51/287091051.db2.gz XTXWJEBHAWMJIN-HZSPNIEDSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000248695597 287100275 /nfs/dbraw/zinc/10/02/75/287100275.db2.gz JPASBIDBDNCZTJ-AGIUHOORSA-N 0 0 305.444 0.102 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@H]2CCOC2)CC[S@]1=O ZINC000249014749 287105418 /nfs/dbraw/zinc/10/54/18/287105418.db2.gz PIVAYOIHMNKTSQ-HXPMCKFVSA-N 0 0 323.480 0.976 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249534785 287113021 /nfs/dbraw/zinc/11/30/21/287113021.db2.gz CDFTZQXHTGMHMB-GHMZBOCLSA-N 0 0 321.343 0.950 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000249601052 287116106 /nfs/dbraw/zinc/11/61/06/287116106.db2.gz QMQHVSOTZPEPRG-XLDPMVHQSA-N 0 0 309.288 0.220 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccnc(N2CCCC2)n1 ZINC000267809698 415147431 /nfs/dbraw/zinc/14/74/31/415147431.db2.gz BTLUBWRROZTXOQ-NSHDSACASA-N 0 0 313.365 0.933 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](CO)C1 ZINC000035217188 415189702 /nfs/dbraw/zinc/18/97/02/415189702.db2.gz WGQJUELIFXMGFT-STQMWFEESA-N 0 0 318.439 0.422 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C)n2)CC1 ZINC000268365944 415202156 /nfs/dbraw/zinc/20/21/56/415202156.db2.gz VIRWRJGNPVEOJV-UHFFFAOYSA-N 0 0 321.381 0.267 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[C@@H](O)C1 ZINC000352584594 415238613 /nfs/dbraw/zinc/23/86/13/415238613.db2.gz WMZBJXBNKFWKFV-LLVKDONJSA-N 0 0 305.334 0.201 10 0 DCAERN C[C@]1(NS(=O)(=O)c2ccccc2N)CCS(=O)(=O)C1 ZINC000044886558 415229120 /nfs/dbraw/zinc/22/91/20/415229120.db2.gz WZELEEIGEZEMIW-NSHDSACASA-N 0 0 304.393 0.124 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)NCc1cccnc1N(C)C ZINC000048229274 415287853 /nfs/dbraw/zinc/28/78/53/415287853.db2.gz RAFDEZMZEVCYGL-UHFFFAOYSA-N 0 0 313.423 0.835 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)NC[C@@H]1CN(C)CCO1)C2 ZINC000049993835 415307895 /nfs/dbraw/zinc/30/78/95/415307895.db2.gz SXIHFQUUWOHBBC-UKRRQHHQSA-N 0 0 320.389 0.693 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000050842299 415315058 /nfs/dbraw/zinc/31/50/58/415315058.db2.gz FAVVFGKTDISJMJ-ILXRZTDVSA-N 0 0 318.373 0.867 10 0 DCAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)n1 ZINC000274176794 415332156 /nfs/dbraw/zinc/33/21/56/415332156.db2.gz JCCWKIDZZYDUBI-WCQYABFASA-N 0 0 305.382 0.794 10 0 DCAERN COC[C@@H](C)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303122 415406782 /nfs/dbraw/zinc/40/67/82/415406782.db2.gz VJLLFHTZFIANBK-NSHDSACASA-N 0 0 315.391 0.963 10 0 DCAERN COc1nc(C)nc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1C ZINC000274642054 415361994 /nfs/dbraw/zinc/36/19/94/415361994.db2.gz FOFBVNQFCCPZSS-VIFPVBQESA-N 0 0 314.411 0.572 10 0 DCAERN CC[C@@H](NC(=O)CCc1c(C)nc2ncnn2c1C)C(=O)OC ZINC000084277821 415497034 /nfs/dbraw/zinc/49/70/34/415497034.db2.gz BIUSTHUQQSGHCX-GFCCVEGCSA-N 0 0 319.365 0.742 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@H]21 ZINC000332755923 415466495 /nfs/dbraw/zinc/46/64/95/415466495.db2.gz KUIXMWBODSDWFS-NEPJUHHUSA-N 0 0 321.381 0.562 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000277020891 415477757 /nfs/dbraw/zinc/47/77/57/415477757.db2.gz MVNBFJZRWHEMOC-UONOGXRCSA-N 0 0 320.393 0.801 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2=O)O1 ZINC000332946160 415510409 /nfs/dbraw/zinc/51/04/09/415510409.db2.gz VHYQDAVOKMDPGB-WXHSDQCUSA-N 0 0 306.366 0.599 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CC[C@]4(CNC(=O)C4)C3)C2=O)n(C)n1 ZINC000278928427 415513878 /nfs/dbraw/zinc/51/38/78/415513878.db2.gz SKCPTWLHSKHTGK-WBMJQRKESA-N 0 0 317.393 0.046 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 ZINC000087233443 415514596 /nfs/dbraw/zinc/51/45/96/415514596.db2.gz OFTGXFPNZBPZHU-ZDUSSCGKSA-N 0 0 315.329 0.768 10 0 DCAERN CN(CCOCC1CC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000088223028 415514968 /nfs/dbraw/zinc/51/49/68/415514968.db2.gz YCSUYMSYIQCZIQ-UHFFFAOYSA-N 0 0 319.365 0.015 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000088775926 415519391 /nfs/dbraw/zinc/51/93/91/415519391.db2.gz FXQCFZJYWCVODF-MNOVXSKESA-N 0 0 312.457 0.376 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Br)cc1 ZINC000089751647 415523345 /nfs/dbraw/zinc/52/33/45/415523345.db2.gz LPCQTAJHFUWPDE-VIFPVBQESA-N 0 0 311.135 0.984 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCC(=O)NC(C)C ZINC000091596466 415537083 /nfs/dbraw/zinc/53/70/83/415537083.db2.gz RAAKXWPFBKUZMC-UHFFFAOYSA-N 0 0 309.414 0.793 10 0 DCAERN COc1c(CN2CCS(=O)(=O)C(C)(C)C2)c(C)nn1C ZINC000093735513 415546200 /nfs/dbraw/zinc/54/62/00/415546200.db2.gz ZRDRLNUHQYKHNB-UHFFFAOYSA-N 0 0 301.412 0.746 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1=O ZINC000333136293 415567336 /nfs/dbraw/zinc/56/73/36/415567336.db2.gz IOWKGMOCYOXPDZ-FRRDWIJNSA-N 0 0 316.423 0.295 10 0 DCAERN O=S(=O)(NCCN1CCCS1(=O)=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333154179 415572547 /nfs/dbraw/zinc/57/25/47/415572547.db2.gz KWLZKHIVXPJRGQ-WOPDTQHZSA-N 0 0 322.452 0.130 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccccc1N ZINC000343455978 415603980 /nfs/dbraw/zinc/60/39/80/415603980.db2.gz CPTIMMOOPZGAFO-VIFPVBQESA-N 0 0 306.409 0.322 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)C3(C)CC3)CCO2)[nH]1 ZINC000333298380 415604419 /nfs/dbraw/zinc/60/44/19/415604419.db2.gz PRFWWCBJJGBMMB-SECBINFHSA-N 0 0 300.384 0.623 10 0 DCAERN COc1ccccc1C[N@H+](CCO)C[C@H](O)CN1CCOCC1 ZINC000103228579 415614131 /nfs/dbraw/zinc/61/41/31/415614131.db2.gz IBXMVZYAPLRZCK-MRXNPFEDSA-N 0 0 324.421 0.183 10 0 DCAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000103427796 415616291 /nfs/dbraw/zinc/61/62/91/415616291.db2.gz QKAQADFYFDOADG-NXEZZACHSA-N 0 0 300.380 0.794 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000333374683 415628912 /nfs/dbraw/zinc/62/89/12/415628912.db2.gz DQUYZGNYCBZQRP-QRTARXTBSA-N 0 0 304.390 0.917 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333379795 415629734 /nfs/dbraw/zinc/62/97/34/415629734.db2.gz XHUZXDLDNMQGDT-QWRGUYRKSA-N 0 0 300.384 0.493 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000333387349 415632692 /nfs/dbraw/zinc/63/26/92/415632692.db2.gz LKEQZKHJTHZIHF-AVGNSLFASA-N 0 0 315.439 0.885 10 0 DCAERN NC(=O)NCC(=O)NCCOc1ccccc1C(F)(F)F ZINC000106918710 415655318 /nfs/dbraw/zinc/65/53/18/415655318.db2.gz QPGDHJHDWQBHSZ-UHFFFAOYSA-N 0 0 305.256 0.869 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H](C)O1 ZINC000333467189 415659563 /nfs/dbraw/zinc/65/95/63/415659563.db2.gz HPWYFRZUWKDBOW-RXGFPQBGSA-N 0 0 309.370 0.331 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCOC2)C[C@@H](C)O1 ZINC000107705329 415672695 /nfs/dbraw/zinc/67/26/95/415672695.db2.gz VLHWZQSSEFWCHQ-UPJWGTAASA-N 0 0 306.428 0.699 10 0 DCAERN Cc1cc(COCC(=O)N2CC(n3nc(C)nc3C)C2)on1 ZINC000333532781 415675308 /nfs/dbraw/zinc/67/53/08/415675308.db2.gz YLRXFDQLCSGAGE-UHFFFAOYSA-N 0 0 305.338 0.791 10 0 DCAERN O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000333534314 415676602 /nfs/dbraw/zinc/67/66/02/415676602.db2.gz YNJKVHPNJAULMC-KKZNHRDASA-N 0 0 308.300 0.817 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCOC2(C)C)nn1 ZINC000333591752 415690863 /nfs/dbraw/zinc/69/08/63/415690863.db2.gz PFMDTASFOMCPNX-IJLUTSLNSA-N 0 0 310.354 0.162 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)N2CC[C@@](C)(O)C2)C1 ZINC000333742792 415727529 /nfs/dbraw/zinc/72/75/29/415727529.db2.gz RPZSCZVYAXQIOM-IUODEOHRSA-N 0 0 307.398 0.555 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CCc3ncnn3C1)c2=O ZINC000112657666 415713483 /nfs/dbraw/zinc/71/34/83/415713483.db2.gz XRUNTDWSFJMVBS-LLVKDONJSA-N 0 0 324.344 0.339 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)NC[C@]1(CCO)CCOC1 ZINC000119245986 415741012 /nfs/dbraw/zinc/74/10/12/415741012.db2.gz ALZCKCLOJCLCHP-INIZCTEOSA-N 0 0 324.352 0.461 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCCc1cc(F)ccc1F ZINC000119234880 415742441 /nfs/dbraw/zinc/74/24/41/415742441.db2.gz ODICDKBQXVTDKX-UHFFFAOYSA-N 0 0 306.334 0.563 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCNC[C@H]1c1ccncc1 ZINC000333842603 415747409 /nfs/dbraw/zinc/74/74/09/415747409.db2.gz LNXJDXNNOIOCGX-KGLIPLIRSA-N 0 0 311.407 0.537 10 0 DCAERN C[C@@H](CO)NC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000118965148 415736509 /nfs/dbraw/zinc/73/65/09/415736509.db2.gz DVVXVNCBWZWYJI-VIFPVBQESA-N 0 0 300.355 0.994 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NC(C)(C)CN2CCOCC2)CCO1 ZINC000333923429 415764593 /nfs/dbraw/zinc/76/45/93/415764593.db2.gz SDXPOLPNDPYGQS-CHWSQXEVSA-N 0 0 320.455 0.584 10 0 DCAERN C[C@H]1CN(C(=O)Cn2ncc3ccccc32)CCS1(=O)=O ZINC000122391323 415831565 /nfs/dbraw/zinc/83/15/65/415831565.db2.gz SQVMARNQUTZHPP-NSHDSACASA-N 0 0 307.375 0.682 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(CC)CC)CCN1C[C@@H](C)O ZINC000122740003 415835252 /nfs/dbraw/zinc/83/52/52/415835252.db2.gz IXKUOSAZYBCESS-OLZOCXBDSA-N 0 0 307.460 0.350 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000123037660 415840092 /nfs/dbraw/zinc/84/00/92/415840092.db2.gz HRFQUQISFROTRX-SECBINFHSA-N 0 0 305.318 0.740 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)NCc2cccc(C)n2)CC1 ZINC000123860019 415846942 /nfs/dbraw/zinc/84/69/42/415846942.db2.gz KKVWXYXCYUMVGS-UHFFFAOYSA-N 0 0 319.409 0.400 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCCO1 ZINC000334077828 415799025 /nfs/dbraw/zinc/79/90/25/415799025.db2.gz KKDQEMRDTLTWAS-MJBXVCDLSA-N 0 0 323.397 0.675 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000121261909 415800715 /nfs/dbraw/zinc/80/07/15/415800715.db2.gz YMCZKZVQTWFHDU-UHFFFAOYSA-N 0 0 314.411 0.410 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000121323784 415801631 /nfs/dbraw/zinc/80/16/31/415801631.db2.gz NWKVVLQBZNNUSZ-UHFFFAOYSA-N 0 0 300.358 0.953 10 0 DCAERN COc1ccc(CNC(=O)C[S@](=O)Cc2ccnn2C)cc1 ZINC000121391158 415805142 /nfs/dbraw/zinc/80/51/42/415805142.db2.gz POBKJCXGHAOXBI-QFIPXVFZSA-N 0 0 321.402 0.994 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121969895 415821977 /nfs/dbraw/zinc/82/19/77/415821977.db2.gz OTDOLCGNEPBZTL-NXEZZACHSA-N 0 0 314.363 0.043 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000291334630 415828669 /nfs/dbraw/zinc/82/86/69/415828669.db2.gz LUDYBLUJIGATNP-LBPRGKRZSA-N 0 0 314.349 0.920 10 0 DCAERN CCc1cc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000126395498 415875240 /nfs/dbraw/zinc/87/52/40/415875240.db2.gz CWOQIALLMLISMM-SNVBAGLBSA-N 0 0 300.380 0.914 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)CNC(C)=O)Cc1ccccc1 ZINC000127651078 415888341 /nfs/dbraw/zinc/88/83/41/415888341.db2.gz VABHCILRBPQUEQ-CQSZACIVSA-N 0 0 306.362 0.661 10 0 DCAERN O=C(COc1ccccc1)NCC(=O)N1CCN(C2CC2)CC1 ZINC000127720801 415890944 /nfs/dbraw/zinc/89/09/44/415890944.db2.gz UIGLULPEDRVIHO-UHFFFAOYSA-N 0 0 317.389 0.488 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000128794518 415900791 /nfs/dbraw/zinc/90/07/91/415900791.db2.gz RVJKAUKLAQIUMZ-LSDHHAIUSA-N 0 0 324.402 0.593 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C(N)=O)cn1C ZINC000128639136 415902577 /nfs/dbraw/zinc/90/25/77/415902577.db2.gz VAGUTIRJQZUHLV-SECBINFHSA-N 0 0 309.366 0.926 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000128963221 415902987 /nfs/dbraw/zinc/90/29/87/415902987.db2.gz FXHCKJWEBIZIMX-CQSZACIVSA-N 0 0 313.361 0.699 10 0 DCAERN Cc1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C)n1 ZINC000129176150 415906267 /nfs/dbraw/zinc/90/62/67/415906267.db2.gz KKWJOXWWGJYROR-LBPRGKRZSA-N 0 0 311.407 0.710 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000129602466 415910069 /nfs/dbraw/zinc/91/00/69/415910069.db2.gz DGBYSQVNFQAVBQ-UHFFFAOYSA-N 0 0 303.362 0.940 10 0 DCAERN CN1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129828198 415911605 /nfs/dbraw/zinc/91/16/05/415911605.db2.gz FHWYSZGJCPVURA-GFCCVEGCSA-N 0 0 317.455 0.211 10 0 DCAERN CCOC(=O)CN(CC(=O)NC1CCOCC1)C(C)(C)C ZINC000130736568 415920871 /nfs/dbraw/zinc/92/08/71/415920871.db2.gz GTACBYSTSARTDF-UHFFFAOYSA-N 0 0 300.399 0.945 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000133334107 415943017 /nfs/dbraw/zinc/94/30/17/415943017.db2.gz GVDDTXUOCMBWMN-JSGCOSHPSA-N 0 0 324.402 0.451 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000133733919 415949471 /nfs/dbraw/zinc/94/94/71/415949471.db2.gz GODXVWYALGGKLU-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CC(c3ccccc3)=NO2)CCC1=O ZINC000133662737 415949680 /nfs/dbraw/zinc/94/96/80/415949680.db2.gz UKIPYTCVOQVFAB-TZMCWYRMSA-N 0 0 301.346 0.917 10 0 DCAERN C[C@H]1CN(c2ccc(NC(=O)[C@H]3CNC(=O)C3)cc2)CCO1 ZINC000134853838 415957505 /nfs/dbraw/zinc/95/75/05/415957505.db2.gz SSGFEVBFVCDUOI-NWDGAFQWSA-N 0 0 303.362 0.986 10 0 DCAERN Cc1noc(CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000151067357 415963522 /nfs/dbraw/zinc/96/35/22/415963522.db2.gz DXLOLCVBHKWSOP-CYBMUJFWSA-N 0 0 321.425 0.897 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCS1(=O)=O ZINC000152111366 415966859 /nfs/dbraw/zinc/96/68/59/415966859.db2.gz PSNJCZKRWARAKN-RNCFNFMXSA-N 0 0 313.350 0.775 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C)C3=O)CC2=O)cc1 ZINC000152597720 415968572 /nfs/dbraw/zinc/96/85/72/415968572.db2.gz MQNCCQPLJYDNRD-TZMCWYRMSA-N 0 0 315.373 0.695 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000153100851 415974694 /nfs/dbraw/zinc/97/46/94/415974694.db2.gz WCMZBHIYTLNRQY-GDBMZVCRSA-N 0 0 322.405 0.089 10 0 DCAERN CC[C@H]1CN(Cc2nc(N)nc(N)n2)CCN1CC(F)F ZINC000153612186 415984576 /nfs/dbraw/zinc/98/45/76/415984576.db2.gz ZAKGWAKDGHEMSX-QMMMGPOBSA-N 0 0 301.345 0.197 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000155118067 415992975 /nfs/dbraw/zinc/99/29/75/415992975.db2.gz XIUIVLNSPNZATK-FZMZJTMJSA-N 0 0 308.378 0.948 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000172005140 416044002 /nfs/dbraw/zinc/04/40/02/416044002.db2.gz BRQQZEMZZYVAIA-ZDUSSCGKSA-N 0 0 303.362 0.082 10 0 DCAERN Cn1ccnc1CN1CCN(CC(=O)Nc2nncs2)CC1 ZINC000172072628 416044048 /nfs/dbraw/zinc/04/40/48/416044048.db2.gz AAPOSNAFBWTPKA-UHFFFAOYSA-N 0 0 321.410 0.028 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000357203846 416045156 /nfs/dbraw/zinc/04/51/56/416045156.db2.gz MOTPDOBSSNTLRJ-LBPRGKRZSA-N 0 0 321.377 0.994 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000172612006 416046558 /nfs/dbraw/zinc/04/65/58/416046558.db2.gz IQOPAOKGFJPDIJ-NWDGAFQWSA-N 0 0 324.402 0.944 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000172814861 416047923 /nfs/dbraw/zinc/04/79/23/416047923.db2.gz PWYIFYGRASYZBE-CYBMUJFWSA-N 0 0 303.362 0.777 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000173245569 416055363 /nfs/dbraw/zinc/05/53/63/416055363.db2.gz CPKWYVPPJWZQTD-GXFFZTMASA-N 0 0 321.425 0.888 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000173465733 416058045 /nfs/dbraw/zinc/05/80/45/416058045.db2.gz ZUENNAANUPCLSL-HNNXBMFYSA-N 0 0 303.366 0.726 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCN(Cc2ccon2)CC1 ZINC000173628550 416061623 /nfs/dbraw/zinc/06/16/23/416061623.db2.gz XKIVZTVUZLXQTH-UHFFFAOYSA-N 0 0 320.315 0.813 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C ZINC000173787461 416065451 /nfs/dbraw/zinc/06/54/51/416065451.db2.gz IKPOCFSIJHIQCA-GXTWGEPZSA-N 0 0 321.425 0.906 10 0 DCAERN Cc1cnn(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173855920 416067806 /nfs/dbraw/zinc/06/78/06/416067806.db2.gz OTQPEBNDNZZNPB-GJZGRUSLSA-N 0 0 306.410 0.761 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000357387023 416070681 /nfs/dbraw/zinc/07/06/81/416070681.db2.gz WJRAFUJYKAGFBK-WUHRBBMRSA-N 0 0 300.424 0.759 10 0 DCAERN CCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173969003 416070753 /nfs/dbraw/zinc/07/07/53/416070753.db2.gz XDWDVZCJSIRYGU-ZIAGYGMSSA-N 0 0 311.426 0.472 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000300555891 416073211 /nfs/dbraw/zinc/07/32/11/416073211.db2.gz XCHJOUDOCOZDPN-KXNHARMFSA-N 0 0 305.396 0.815 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000158854896 416003316 /nfs/dbraw/zinc/00/33/16/416003316.db2.gz JSPBHJJGSPPKGP-UHFFFAOYSA-N 0 0 311.323 0.437 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158813619 416003794 /nfs/dbraw/zinc/00/37/94/416003794.db2.gz WLGLJDVHMVZVLL-ZCFIWIBFSA-N 0 0 305.256 0.823 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)NCc2ccnn2C)c(O)c1 ZINC000170826833 416034199 /nfs/dbraw/zinc/03/41/99/416034199.db2.gz SZQAKAVTWTUXGV-UHFFFAOYSA-N 0 0 316.361 0.870 10 0 DCAERN Cc1ccc([C@@H](CNC(=O)CC(=O)N(C)C)N2CCOCC2)o1 ZINC000174482318 416079286 /nfs/dbraw/zinc/07/92/86/416079286.db2.gz COYWCVVPZWCJRW-CYBMUJFWSA-N 0 0 323.393 0.556 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000174649458 416083698 /nfs/dbraw/zinc/08/36/98/416083698.db2.gz DCPHEOZFUXTOKJ-GFCCVEGCSA-N 0 0 322.413 0.214 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)N[C@H]3CCCOC3)CC2)no1 ZINC000174774992 416085515 /nfs/dbraw/zinc/08/55/15/416085515.db2.gz QDEQMVIOWVWYOC-ZDUSSCGKSA-N 0 0 323.397 0.774 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)CC1 ZINC000174874552 416087933 /nfs/dbraw/zinc/08/79/33/416087933.db2.gz YPJGYNWQPPBRIM-SNVBAGLBSA-N 0 0 306.366 0.615 10 0 DCAERN O=C(Cn1cnnn1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175000285 416094130 /nfs/dbraw/zinc/09/41/30/416094130.db2.gz OBXYDNRZTINTNU-UHFFFAOYSA-N 0 0 303.326 0.519 10 0 DCAERN COC(=O)C[C@H]1NC(=O)N(Cc2ccc3cc[nH]c3n2)C1=O ZINC000357592783 416102218 /nfs/dbraw/zinc/10/22/18/416102218.db2.gz HMHAYROJYLASHL-SNVBAGLBSA-N 0 0 302.290 0.546 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000175488659 416107779 /nfs/dbraw/zinc/10/77/79/416107779.db2.gz HDISPABAWVMQPO-VXGBXAGGSA-N 0 0 318.439 0.662 10 0 DCAERN Cc1nn(C)c(CN2CCC[C@](O)(CO)C2)c1Br ZINC000313659834 416109409 /nfs/dbraw/zinc/10/94/09/416109409.db2.gz PGLWAYDVPRDMFK-GFCCVEGCSA-N 0 0 318.215 0.810 10 0 DCAERN Cc1nn(C)c(CN2CCC[C@@](O)(CO)C2)c1Br ZINC000313659837 416109651 /nfs/dbraw/zinc/10/96/51/416109651.db2.gz PGLWAYDVPRDMFK-LBPRGKRZSA-N 0 0 318.215 0.810 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000175618260 416110950 /nfs/dbraw/zinc/11/09/50/416110950.db2.gz YKRCGHUYZXLPND-NWDGAFQWSA-N 0 0 322.413 0.165 10 0 DCAERN CCn1nccc1NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000357674822 416114816 /nfs/dbraw/zinc/11/48/16/416114816.db2.gz MFOSLEGRBHQYIE-UHFFFAOYSA-N 0 0 302.338 0.941 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000175918639 416116983 /nfs/dbraw/zinc/11/69/83/416116983.db2.gz WIEKBVOIBYEOFS-LLVKDONJSA-N 0 0 311.304 0.610 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCc2cccn2C)CCO1 ZINC000176033974 416119459 /nfs/dbraw/zinc/11/94/59/416119459.db2.gz SBJJOABEQHEZCC-OCCSQVGLSA-N 0 0 323.393 0.930 10 0 DCAERN Cc1cc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)[nH]n1 ZINC000176173485 416120435 /nfs/dbraw/zinc/12/04/35/416120435.db2.gz INANPVRJXYJVPB-UHFFFAOYSA-N 0 0 320.393 0.358 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000324464593 416121943 /nfs/dbraw/zinc/12/19/43/416121943.db2.gz ZBCYSHGANWJQNR-WDEREUQCSA-N 0 0 306.428 0.181 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NCCN1C(=O)CCC1=O ZINC000176766193 416134878 /nfs/dbraw/zinc/13/48/78/416134878.db2.gz YBLKLQKLFNURGI-UHFFFAOYSA-N 0 0 321.381 0.487 10 0 DCAERN COCCCOC1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000176909636 416136906 /nfs/dbraw/zinc/13/69/06/416136906.db2.gz NDVPWKAGXBBYBB-AWEZNQCLSA-N 0 0 324.421 0.899 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCNC(=O)C2CCC2)C1 ZINC000176912684 416138642 /nfs/dbraw/zinc/13/86/42/416138642.db2.gz HERXPUKRFMOGHK-GFCCVEGCSA-N 0 0 317.455 0.859 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCO1 ZINC000357872722 416144757 /nfs/dbraw/zinc/14/47/57/416144757.db2.gz ZVLXXNYLDUXIKM-QMMMGPOBSA-N 0 0 302.327 0.334 10 0 DCAERN COC(=O)[C@]1(C)CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000177420857 416145445 /nfs/dbraw/zinc/14/54/45/416145445.db2.gz KHDNGHRJCIAMRD-BLLLJJGKSA-N 0 0 320.393 0.719 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@@H](C)C2)c1 ZINC000357903409 416149924 /nfs/dbraw/zinc/14/99/24/416149924.db2.gz BVRBZPZVDQZMAO-JTQLQIEISA-N 0 0 315.395 0.562 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1COc2ccccc2C1 ZINC000177880112 416153995 /nfs/dbraw/zinc/15/39/95/416153995.db2.gz VSWSLYWAUGYXRA-CQSZACIVSA-N 0 0 311.341 0.931 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)Sc2nncn2C)[C@H](C)C1 ZINC000357924184 416154535 /nfs/dbraw/zinc/15/45/35/416154535.db2.gz HCEJDCWZWZDJLU-ZJUUUORDSA-N 0 0 311.411 0.375 10 0 DCAERN CNC(=O)c1cccnc1NCCN1CCN(C(C)=O)CC1 ZINC000301376922 416081145 /nfs/dbraw/zinc/08/11/45/416081145.db2.gz WHSBDMJFUCRMTO-UHFFFAOYSA-N 0 0 305.382 0.017 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000182835317 416233011 /nfs/dbraw/zinc/23/30/11/416233011.db2.gz KRWFHVNIOYUPTM-OAHLLOKOSA-N 0 0 319.365 0.244 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CN2CCN1CC2)C(C)C ZINC000178650588 416167609 /nfs/dbraw/zinc/16/76/09/416167609.db2.gz HYUMQMQDRZSZRT-GOEBONIOSA-N 0 0 324.469 0.289 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(C)C ZINC000178713280 416170870 /nfs/dbraw/zinc/17/08/70/416170870.db2.gz TXIUDNQFTZXBSJ-GFCCVEGCSA-N 0 0 311.407 0.707 10 0 DCAERN CN(CCCO)C(=O)C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000358008013 416171561 /nfs/dbraw/zinc/17/15/61/416171561.db2.gz ALCZDVABNVEQSK-CYBMUJFWSA-N 0 0 306.362 0.857 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000179155776 416182628 /nfs/dbraw/zinc/18/26/28/416182628.db2.gz WHEVYWSMAHIIMV-LBPRGKRZSA-N 0 0 305.382 0.364 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000179159451 416183398 /nfs/dbraw/zinc/18/33/98/416183398.db2.gz SMKQJGJEPILIBT-ZDUSSCGKSA-N 0 0 318.333 0.860 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(C)C ZINC000179127385 416183719 /nfs/dbraw/zinc/18/37/19/416183719.db2.gz MFCQDDCFZXMVAG-HNNXBMFYSA-N 0 0 319.405 0.920 10 0 DCAERN CSC[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000151102717 196630122 /nfs/dbraw/zinc/63/01/22/196630122.db2.gz FIXFGLDSVVGEJN-BXUZGUMPSA-N 0 0 302.440 0.864 10 0 DCAERN Cn1cc(CC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cn1 ZINC000183074031 416233817 /nfs/dbraw/zinc/23/38/17/416233817.db2.gz ZKPNTUQKMGXAPE-CQSZACIVSA-N 0 0 313.361 0.669 10 0 DCAERN COc1n[nH]c(NC(=O)Cn2cnc3ccccc3c2=O)n1 ZINC000179702874 416192924 /nfs/dbraw/zinc/19/29/24/416192924.db2.gz AIKBTCQLGGFWFN-UHFFFAOYSA-N 0 0 300.278 0.162 10 0 DCAERN COCc1ccsc1C(=O)NCCCNS(C)(=O)=O ZINC000180245993 416195483 /nfs/dbraw/zinc/19/54/83/416195483.db2.gz BQPRHTQBUPTVIO-UHFFFAOYSA-N 0 0 306.409 0.564 10 0 DCAERN CCCCNC(=O)C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180252750 416195917 /nfs/dbraw/zinc/19/59/17/416195917.db2.gz MBNNAAISWFRKCQ-IBGZPJMESA-N 0 0 304.441 0.769 10 0 DCAERN O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000180514589 416198049 /nfs/dbraw/zinc/19/80/49/416198049.db2.gz VRZDWKUJYZGURD-MRXNPFEDSA-N 0 0 319.405 0.641 10 0 DCAERN COCCCOCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000180635615 416199728 /nfs/dbraw/zinc/19/97/28/416199728.db2.gz VOXIUPXWSNZFJS-HNNXBMFYSA-N 0 0 314.426 0.753 10 0 DCAERN COc1ccc(C(=O)NCc2ccnn2C)cc1-n1cnnn1 ZINC000180645098 416199811 /nfs/dbraw/zinc/19/98/11/416199811.db2.gz LPMHGIHGMLJEFN-UHFFFAOYSA-N 0 0 313.321 0.334 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC(=O)Nc3c(C)ccnc32)cn1 ZINC000180861971 416201711 /nfs/dbraw/zinc/20/17/11/416201711.db2.gz ATOUHRWYGIREAM-UHFFFAOYSA-N 0 0 313.317 0.774 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCCC[C@@H]2c2nc[nH]n2)CC1=O ZINC000181381519 416205434 /nfs/dbraw/zinc/20/54/34/416205434.db2.gz MOEHOFVFGCKPCJ-VXGBXAGGSA-N 0 0 321.381 0.353 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000181400519 416206262 /nfs/dbraw/zinc/20/62/62/416206262.db2.gz IZIAFWILOLWVQL-HZPDHXFCSA-N 0 0 313.405 0.983 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)C(=O)Nc2ccccc2)cn1 ZINC000181363721 416206832 /nfs/dbraw/zinc/20/68/32/416206832.db2.gz LACCWQKVGXIAHC-AWEZNQCLSA-N 0 0 313.361 0.532 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cn[nH]c1 ZINC000358182004 416208237 /nfs/dbraw/zinc/20/82/37/416208237.db2.gz DMHOKOOZLLYEHL-NXEZZACHSA-N 0 0 302.400 0.415 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)Cc2ccccc2)cn1 ZINC000181693250 416211583 /nfs/dbraw/zinc/21/15/83/416211583.db2.gz PNYKNBZPBODVCI-HNNXBMFYSA-N 0 0 320.418 0.896 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729725 416212195 /nfs/dbraw/zinc/21/21/95/416212195.db2.gz QGDJBDKBOORXSU-WDEREUQCSA-N 0 0 316.427 0.671 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)NC[C@@H](CO)C1CC1 ZINC000358330786 416222946 /nfs/dbraw/zinc/22/29/46/416222946.db2.gz FXCDIELPOMKCBG-ZDUSSCGKSA-N 0 0 318.439 0.327 10 0 DCAERN O=C(NCc1ccccc1OCCO)N[C@@H]1C=C[C@@H](CO)C1 ZINC000358325180 416223209 /nfs/dbraw/zinc/22/32/09/416223209.db2.gz POVAPWDJQJVDPX-TZMCWYRMSA-N 0 0 306.362 0.794 10 0 DCAERN COCc1nc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)no1 ZINC000182449776 416223317 /nfs/dbraw/zinc/22/33/17/416223317.db2.gz RJLRZNFTIXTROK-ZDUSSCGKSA-N 0 0 321.381 0.930 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)cc21 ZINC000182540992 416226345 /nfs/dbraw/zinc/22/63/45/416226345.db2.gz BGDJWRWODHHLTL-ZDUSSCGKSA-N 0 0 313.361 0.852 10 0 DCAERN C[C@H](C(=O)NC[C@@H](CO)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000358364391 416229428 /nfs/dbraw/zinc/22/94/28/416229428.db2.gz YSYUKKQOMHNACA-PWSUYJOCSA-N 0 0 323.393 0.374 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182829308 416231819 /nfs/dbraw/zinc/23/18/19/416231819.db2.gz BRFPNZYMEBCXRK-MLGOLLRUSA-N 0 0 324.377 0.532 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000178124421 416157787 /nfs/dbraw/zinc/15/77/87/416157787.db2.gz JUTBIDAXJRJIKD-UHFFFAOYSA-N 0 0 313.357 0.596 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1 ZINC000178251916 416159646 /nfs/dbraw/zinc/15/96/46/416159646.db2.gz ZJECNIATXZUVCO-LLVKDONJSA-N 0 0 302.338 0.084 10 0 DCAERN COC[C@H](NC(=O)C(=O)NCc1ccn(C)n1)c1ccccc1 ZINC000357958710 416160332 /nfs/dbraw/zinc/16/03/32/416160332.db2.gz LBKPTAWJGJDPLF-AWEZNQCLSA-N 0 0 316.361 0.540 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@]1(CO)CCOC1 ZINC000329326199 416163080 /nfs/dbraw/zinc/16/30/80/416163080.db2.gz WLYLCPFGVRZTAQ-FMKPAKJESA-N 0 0 312.410 0.240 10 0 DCAERN C[C@@H](CO)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183514607 416243153 /nfs/dbraw/zinc/24/31/53/416243153.db2.gz OWXZHOAAESDNTR-DGCLKSJQSA-N 0 0 306.366 0.505 10 0 DCAERN O=C(Nc1ccon1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000183524689 416244532 /nfs/dbraw/zinc/24/45/32/416244532.db2.gz JBSWOJMGVLKQKP-JTQLQIEISA-N 0 0 314.367 0.706 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183547372 416245301 /nfs/dbraw/zinc/24/53/01/416245301.db2.gz HVRGWLKJLFGOCM-UHFFFAOYSA-N 0 0 314.411 0.207 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CCNC(=O)CC3)ccc21 ZINC000341871461 416245939 /nfs/dbraw/zinc/24/59/39/416245939.db2.gz XTYYVBYUQUPXLQ-UHFFFAOYSA-N 0 0 301.346 0.558 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)N1CCCCC1 ZINC000341933863 416253590 /nfs/dbraw/zinc/25/35/90/416253590.db2.gz VYQLGCUYXPRBQH-OLZOCXBDSA-N 0 0 313.467 0.941 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000358587561 416257632 /nfs/dbraw/zinc/25/76/32/416257632.db2.gz MFARDGGBIKHQFA-SNVBAGLBSA-N 0 0 304.341 0.295 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)CCN1CCO ZINC000187291508 416260651 /nfs/dbraw/zinc/26/06/51/416260651.db2.gz XLHIATRYDOVZFP-NSHDSACASA-N 0 0 311.407 0.003 10 0 DCAERN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N(C)Cc1cnccn1 ZINC000358616604 416261098 /nfs/dbraw/zinc/26/10/98/416261098.db2.gz PXCRCVPJWADKQS-WCQYABFASA-N 0 0 306.366 0.366 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188691263 416264388 /nfs/dbraw/zinc/26/43/88/416264388.db2.gz KIVVSVXSIJGHCP-GFCCVEGCSA-N 0 0 300.399 0.491 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cc1nc2ccccc2c(=O)n1C ZINC000189305207 416266009 /nfs/dbraw/zinc/26/60/09/416266009.db2.gz XCFSVJOUHZTITA-LLVKDONJSA-N 0 0 300.362 0.644 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000189819461 416271908 /nfs/dbraw/zinc/27/19/08/416271908.db2.gz BQMGLOUGIHFOSO-IUCAKERBSA-N 0 0 321.299 0.134 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cc2ccc(OCCOC)cc2)C1 ZINC000192152393 416300554 /nfs/dbraw/zinc/30/05/54/416300554.db2.gz NTUVJBSZIPLGPV-UHFFFAOYSA-N 0 0 320.389 0.849 10 0 DCAERN CC1=C(C(=O)NC[C@H]2CN(C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197356 416302024 /nfs/dbraw/zinc/30/20/24/416302024.db2.gz ORAJMJILDQXNBG-NEPJUHHUSA-N 0 0 320.397 0.010 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000192277000 416304026 /nfs/dbraw/zinc/30/40/26/416304026.db2.gz FWYLQTQMBSCWRS-YUMQZZPRSA-N 0 0 323.358 0.776 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000192492195 416306748 /nfs/dbraw/zinc/30/67/48/416306748.db2.gz OKHNCZXYAQOICI-NSHDSACASA-N 0 0 305.444 0.989 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000193030878 416312764 /nfs/dbraw/zinc/31/27/64/416312764.db2.gz GHNXJBXXRGJSNS-NSHDSACASA-N 0 0 308.313 0.286 10 0 DCAERN CCN(CC(C)(C)O)C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359243337 416314768 /nfs/dbraw/zinc/31/47/68/416314768.db2.gz QSEWAMITTLXGDA-UHFFFAOYSA-N 0 0 323.393 0.368 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000193368305 416316168 /nfs/dbraw/zinc/31/61/68/416316168.db2.gz NCPDXDZAUBYQEP-CYBMUJFWSA-N 0 0 318.377 0.262 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000193374357 416316315 /nfs/dbraw/zinc/31/63/15/416316315.db2.gz DGLUHMDBYBXIST-BPLDGKMQSA-N 0 0 320.389 0.860 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193461087 416318137 /nfs/dbraw/zinc/31/81/37/416318137.db2.gz DOCMWFKKFKBJBX-SNVBAGLBSA-N 0 0 316.361 0.947 10 0 DCAERN CNS(=O)(=O)c1cccc(CN[C@H](C(=O)OC)C2CC2)c1 ZINC000358824833 416279925 /nfs/dbraw/zinc/27/99/25/416279925.db2.gz XDTJHKRJOIOONF-ZDUSSCGKSA-N 0 0 312.391 0.636 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1cccc2c1OCCC2)OC ZINC000358832263 416280645 /nfs/dbraw/zinc/28/06/45/416280645.db2.gz SAGWKTRRBOHXIT-GFCCVEGCSA-N 0 0 322.361 0.728 10 0 DCAERN COCCN1CCCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000190807915 416282400 /nfs/dbraw/zinc/28/24/00/416282400.db2.gz RUOMXFSHGFRIGZ-WBVHZDCISA-N 0 0 304.390 0.825 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000331199862 416284944 /nfs/dbraw/zinc/28/49/44/416284944.db2.gz YKSTUCNBGKHNBB-ZDUSSCGKSA-N 0 0 304.390 0.957 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000331213219 416287653 /nfs/dbraw/zinc/28/76/53/416287653.db2.gz TXSOGNLXJDEYIL-ZDUSSCGKSA-N 0 0 319.405 0.808 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)C(=O)N(C)C)no2)c1 ZINC000191807169 416289477 /nfs/dbraw/zinc/28/94/77/416289477.db2.gz RUBMKIJCJSOWTH-JTQLQIEISA-N 0 0 305.338 0.434 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cc1ccc(OCCOC)cc1 ZINC000192008704 416294639 /nfs/dbraw/zinc/29/46/39/416294639.db2.gz MYDAHSGSHMWCAL-OAHLLOKOSA-N 0 0 320.389 0.991 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000192085732 416298177 /nfs/dbraw/zinc/29/81/77/416298177.db2.gz VPSBJCIPYWIZRG-NXEZZACHSA-N 0 0 319.365 0.140 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2ccn(C)n2)no1 ZINC000358962224 416298286 /nfs/dbraw/zinc/29/82/86/416298286.db2.gz XTDAPUCVBNRSRI-UHFFFAOYSA-N 0 0 321.337 0.929 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1C[C@H](C)O ZINC000247069530 416332588 /nfs/dbraw/zinc/33/25/88/416332588.db2.gz ZRGYTLRIIVGSME-JQWIXIFHSA-N 0 0 324.381 0.225 10 0 DCAERN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NCC(=O)N1CCCC1 ZINC000247997059 416333096 /nfs/dbraw/zinc/33/30/96/416333096.db2.gz JXQFJNILFGWMDS-RHSMWYFYSA-N 0 0 323.437 0.352 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCCC1=O ZINC000250123689 416334506 /nfs/dbraw/zinc/33/45/06/416334506.db2.gz VUZHWRCUSSCGID-ZFWWWQNUSA-N 0 0 311.426 0.158 10 0 DCAERN Cc1cc2cn[nH]c2c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000265229488 416341175 /nfs/dbraw/zinc/34/11/75/416341175.db2.gz BICTUXLVUXUVDX-LLVKDONJSA-N 0 0 322.390 0.635 10 0 DCAERN CCCCOCCNC(=O)C[S@](=O)Cc1ccnc(C)n1 ZINC000359332264 416341624 /nfs/dbraw/zinc/34/16/24/416341624.db2.gz LIQBGJSEYFVJDX-OAQYLSRUSA-N 0 0 313.423 0.967 10 0 DCAERN Cc1c(C(=O)NC[C@H](CO)C2CC2)nnn1Cc1ccncc1 ZINC000359779870 416358722 /nfs/dbraw/zinc/35/87/22/416358722.db2.gz ZSYXCOKABZAEOM-CQSZACIVSA-N 0 0 315.377 0.778 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)N[C@H]1CC[S@](=O)C1)c2O ZINC000359445377 416346085 /nfs/dbraw/zinc/34/60/85/416346085.db2.gz XAFXNKZUAILGPP-AUADJRAKSA-N 0 0 320.370 0.788 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000359799821 416358921 /nfs/dbraw/zinc/35/89/21/416358921.db2.gz OTGATDXCXCJUAN-UHFFFAOYSA-N 0 0 324.402 0.366 10 0 DCAERN COc1cc(N2CCN(C(=O)C3CCC(O)CC3)CC2)ncn1 ZINC000194583310 416323597 /nfs/dbraw/zinc/32/35/97/416323597.db2.gz CRCMMGOBSPJCRA-UHFFFAOYSA-N 0 0 320.393 0.685 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCOC1 ZINC000194431175 416323792 /nfs/dbraw/zinc/32/37/92/416323792.db2.gz NPYLBYSDSRZSDP-UONOGXRCSA-N 0 0 305.378 0.809 10 0 DCAERN COCCN1C[C@H](C(=O)Nc2nccn2CC(C)C)CC1=O ZINC000194956944 416325188 /nfs/dbraw/zinc/32/51/88/416325188.db2.gz QGMGWAOVQQOKLO-GFCCVEGCSA-N 0 0 308.382 0.973 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000195150125 416325548 /nfs/dbraw/zinc/32/55/48/416325548.db2.gz KNICDJSWYQRREH-GHMZBOCLSA-N 0 0 312.391 0.725 10 0 DCAERN CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515629 416326446 /nfs/dbraw/zinc/32/64/46/416326446.db2.gz HQMCPJWVMWRYQT-GFCCVEGCSA-N 0 0 305.382 0.661 10 0 DCAERN O=C([C@H]1COCCN1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000237765787 416328485 /nfs/dbraw/zinc/32/84/85/416328485.db2.gz VUTHJSXRQVGCRC-SECBINFHSA-N 0 0 313.295 0.019 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000246486460 416331930 /nfs/dbraw/zinc/33/19/30/416331930.db2.gz NMLDNOZIRSHLRX-SYQHCUMBSA-N 0 0 311.426 0.598 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359818867 416360579 /nfs/dbraw/zinc/36/05/79/416360579.db2.gz HCAYAEIZJGBDDU-LBPRGKRZSA-N 0 0 312.391 0.806 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H](CO)C1CC1 ZINC000359822796 416360657 /nfs/dbraw/zinc/36/06/57/416360657.db2.gz NTXLBKJLDGWQNY-KGLIPLIRSA-N 0 0 305.378 0.401 10 0 DCAERN C[C@H]1C[C@H](CCNC(=O)C(=O)N(C)Cc2cnccn2)CCO1 ZINC000360912720 416415970 /nfs/dbraw/zinc/41/59/70/416415970.db2.gz DCGOMHIPCUGONE-QWHCGFSZSA-N 0 0 320.393 0.756 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)C(=O)N(C)C ZINC000360301260 416384917 /nfs/dbraw/zinc/38/49/17/416384917.db2.gz RPLUJVGXCMAONL-KCJUWKMLSA-N 0 0 311.304 0.562 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000360324358 416386135 /nfs/dbraw/zinc/38/61/35/416386135.db2.gz KGSGCAIXMCWUHW-ZIAGYGMSSA-N 0 0 321.421 0.928 10 0 DCAERN Cc1cnc(N[C@@H]2CCCN(CCN3CCOCC3)C2=O)nc1 ZINC000360435756 416389620 /nfs/dbraw/zinc/38/96/20/416389620.db2.gz HXBFKAXJNPKDJX-CQSZACIVSA-N 0 0 319.409 0.520 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(C)C1=O)C(=O)NCc1ccco1 ZINC000360418218 416389742 /nfs/dbraw/zinc/38/97/42/416389742.db2.gz XPQNIGHGPZKWIM-JQWIXIFHSA-N 0 0 322.365 0.204 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N2CCNC(=O)[C@@H]2C)no1 ZINC000360437018 416390041 /nfs/dbraw/zinc/39/00/41/416390041.db2.gz KWWXMBSHTCTNJD-BDAKNGLRSA-N 0 0 311.342 0.197 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H](CO)C2CCOCC2)n1 ZINC000360562883 416396197 /nfs/dbraw/zinc/39/61/97/416396197.db2.gz AQRINDIODXCFRY-CQSZACIVSA-N 0 0 323.393 0.719 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000360738040 416406799 /nfs/dbraw/zinc/40/67/99/416406799.db2.gz KMBMOMPDGWXZJQ-VXGBXAGGSA-N 0 0 305.382 0.563 10 0 DCAERN C[C@H](CNC(=O)c1cc(-c2cccnc2)on1)S(C)(=O)=O ZINC000532823067 416460962 /nfs/dbraw/zinc/46/09/62/416460962.db2.gz DVWANMOKNUBIQH-SECBINFHSA-N 0 0 309.347 0.900 10 0 DCAERN CC(C)[C@H](CO)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361708252 416482176 /nfs/dbraw/zinc/48/21/76/416482176.db2.gz YSPSBSVOCKSEGV-AWEZNQCLSA-N 0 0 322.409 0.734 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)Cc1cnn(C)c1 ZINC000361743951 416488703 /nfs/dbraw/zinc/48/87/03/416488703.db2.gz DUOMKPDEOYZGJR-UHFFFAOYSA-N 0 0 318.381 0.874 10 0 DCAERN CC(C)OC(=O)CCCNC(=O)NC[C@H](O)C(F)(F)F ZINC000361449607 416437111 /nfs/dbraw/zinc/43/71/11/416437111.db2.gz OOUOCYXGHOXBRZ-QMMMGPOBSA-N 0 0 300.277 0.941 10 0 DCAERN O=S(=O)(NCC1CC1)c1ccc(NC[C@H](O)C(F)F)nc1 ZINC000435602715 416526096 /nfs/dbraw/zinc/52/60/96/416526096.db2.gz WNHDMOQLWXHRIA-JTQLQIEISA-N 0 0 321.349 0.808 10 0 DCAERN Cn1ccc(CNS(=O)(=O)c2cccc3c2OCCO3)n1 ZINC000535736442 416527419 /nfs/dbraw/zinc/52/74/19/416527419.db2.gz KHUQIZKBHGVMBB-UHFFFAOYSA-N 0 0 309.347 0.670 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(Cc2cnnn2CC)CC1 ZINC000459281321 416532039 /nfs/dbraw/zinc/53/20/39/416532039.db2.gz CCDRMXUMFKKBGV-ZDUSSCGKSA-N 0 0 308.430 0.330 10 0 DCAERN C/C=C/C[C@@H](NS(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957498 416534736 /nfs/dbraw/zinc/53/47/36/416534736.db2.gz KXOBPBBGTKAUMW-OKPNEXGHSA-N 0 0 308.400 0.297 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2cnn(C(F)F)c2)CC1 ZINC000361970721 416536186 /nfs/dbraw/zinc/53/61/86/416536186.db2.gz JBSPIPCARVHXKA-UHFFFAOYSA-N 0 0 317.296 0.601 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCCC[C@H]2[C@H](O)C(F)(F)F)C1=O ZINC000459371838 416536334 /nfs/dbraw/zinc/53/63/34/416536334.db2.gz ITEDHEJRKLAQAG-GUBZILKMSA-N 0 0 323.315 0.704 10 0 DCAERN CCn1nncc1CN1CCN(S(=O)(=O)CC)C[C@H]1C ZINC000459486063 416543456 /nfs/dbraw/zinc/54/34/56/416543456.db2.gz WEQIXDMUTWXVBO-LLVKDONJSA-N 0 0 301.416 0.154 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCC1CC(O)C1 ZINC000362013795 416545972 /nfs/dbraw/zinc/54/59/72/416545972.db2.gz KEQQVRPFILFRGK-UHFFFAOYSA-N 0 0 308.382 0.759 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000362055926 416552683 /nfs/dbraw/zinc/55/26/83/416552683.db2.gz KAQZXAICKHFAEO-LBPRGKRZSA-N 0 0 305.313 0.585 10 0 DCAERN COC(=O)c1cccc(NC(=O)COc2cnn(C)c2)c1O ZINC000436497318 416560153 /nfs/dbraw/zinc/56/01/53/416560153.db2.gz SDJXMRSTPDGBCX-UHFFFAOYSA-N 0 0 305.290 0.930 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744470 416493989 /nfs/dbraw/zinc/49/39/89/416493989.db2.gz HELGYRJRKPYLNM-QWHCGFSZSA-N 0 0 316.423 0.438 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H]1CCCN1C(C)=O ZINC000361777010 416494170 /nfs/dbraw/zinc/49/41/70/416494170.db2.gz QSCPVHUIUDYPLA-VXGBXAGGSA-N 0 0 313.423 0.377 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000534264963 416494461 /nfs/dbraw/zinc/49/44/61/416494461.db2.gz ACQYSZOYFLEYOQ-NEPJUHHUSA-N 0 0 316.361 0.309 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@H](NC(N)=O)C2)ccc1O ZINC000534255864 416495049 /nfs/dbraw/zinc/49/50/49/416495049.db2.gz FVFPXGKFHVXFAA-JTQLQIEISA-N 0 0 308.338 0.353 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)n1 ZINC000534287856 416497481 /nfs/dbraw/zinc/49/74/81/416497481.db2.gz JQVMSURRUSGFPM-CYBMUJFWSA-N 0 0 300.366 0.893 10 0 DCAERN C[C@@H]1CN(Cc2ncccn2)CCN1c1nccn2cnnc12 ZINC000361864854 416511665 /nfs/dbraw/zinc/51/16/65/416511665.db2.gz GHNMDEKQVAHFIQ-GFCCVEGCSA-N 0 0 310.365 0.625 10 0 DCAERN CN(C)S(=O)(=O)NCCNC(=O)NCC1CCCCCC1 ZINC000458999691 416518793 /nfs/dbraw/zinc/51/87/93/416518793.db2.gz BJBJWNURWUOGRB-UHFFFAOYSA-N 0 0 320.459 0.652 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)CCOC1 ZINC000361908938 416519601 /nfs/dbraw/zinc/51/96/01/416519601.db2.gz WSTWQGOZADJUAW-HNNXBMFYSA-N 0 0 324.381 0.404 10 0 DCAERN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000540579603 416592746 /nfs/dbraw/zinc/59/27/46/416592746.db2.gz UFUDBUSQPAIKAU-INIZCTEOSA-N 0 0 323.393 0.513 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)nn1C ZINC000439422605 416612751 /nfs/dbraw/zinc/61/27/51/416612751.db2.gz LOQZTZDDHIDRLD-UHFFFAOYSA-N 0 0 316.365 0.796 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ccc(O)cc3O)CC2)[nH]1 ZINC000436619505 416565846 /nfs/dbraw/zinc/56/58/46/416565846.db2.gz PLGPYOMTRWUSMR-UHFFFAOYSA-N 0 0 317.349 0.482 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1nnc(CC)c(CC)n1 ZINC000362669448 416568407 /nfs/dbraw/zinc/56/84/07/416568407.db2.gz UTECNPBXDJXQHM-VHSXEESVSA-N 0 0 323.397 0.865 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccnc(C(C)C)n1 ZINC000362670682 416569243 /nfs/dbraw/zinc/56/92/43/416569243.db2.gz WOWBBQRADAMTHC-QWRGUYRKSA-N 0 0 308.382 1.468 10 0 DCAERN NC(=O)N[C@H](CO)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437302966 416582634 /nfs/dbraw/zinc/58/26/34/416582634.db2.gz GMXAGXRJYCTRAR-RRFJBIMHSA-N 0 0 313.357 0.841 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)cn1 ZINC000540313621 416590858 /nfs/dbraw/zinc/59/08/58/416590858.db2.gz KUPVQQNDLJHPQO-UMSPYCQHSA-N 0 0 306.366 0.506 10 0 DCAERN Cn1ncc2c1nnn(Cc1nccn1Cc1ccccc1)c2=O ZINC000441828088 416681150 /nfs/dbraw/zinc/68/11/50/416681150.db2.gz XKFCIGJKQVFXCD-UHFFFAOYSA-N 0 0 321.344 0.818 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)OCC ZINC000440089166 416625552 /nfs/dbraw/zinc/62/55/52/416625552.db2.gz CUBXBYOEBDLEAB-PYIHCCSZSA-N 0 0 321.395 0.613 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)c1cccc2ncnn21 ZINC000543388629 416639400 /nfs/dbraw/zinc/63/94/00/416639400.db2.gz FDTAUULHZBGEDG-UHFFFAOYSA-N 0 0 314.349 0.964 10 0 DCAERN C[C@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544210302 416653428 /nfs/dbraw/zinc/65/34/28/416653428.db2.gz AORMIBDWMVFEAS-QWRGUYRKSA-N 0 0 323.397 0.591 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440902655 416654282 /nfs/dbraw/zinc/65/42/82/416654282.db2.gz HTMRTKHVQOLNFF-GHMZBOCLSA-N 0 0 315.439 0.898 10 0 DCAERN O=C(CNC(=O)[C@H]1CCCCS1(=O)=O)NC1CCCCC1 ZINC000544379737 416655367 /nfs/dbraw/zinc/65/53/67/416655367.db2.gz XPQHNUFCICKYLW-GFCCVEGCSA-N 0 0 316.423 0.519 10 0 DCAERN CN(CCCO)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000440953759 416656165 /nfs/dbraw/zinc/65/61/65/416656165.db2.gz LLHAFPDIFCHHEX-UHFFFAOYSA-N 0 0 308.317 0.054 10 0 DCAERN CCc1nc(C(C)(C)NCCC(=O)N(C)CC(=O)OC)no1 ZINC000441240128 416665696 /nfs/dbraw/zinc/66/56/96/416665696.db2.gz AJLQJDLEEGDQIB-UHFFFAOYSA-N 0 0 312.370 0.478 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)c1F ZINC000441281687 416669025 /nfs/dbraw/zinc/66/90/25/416669025.db2.gz GOJFXRSEAPZDKU-UHFFFAOYSA-N 0 0 303.297 0.748 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@H](O)C2CCOCC2)n1 ZINC000441479832 416673374 /nfs/dbraw/zinc/67/33/74/416673374.db2.gz RDHFXSRXUPPPCI-CQSZACIVSA-N 0 0 323.393 0.719 10 0 DCAERN NC(=O)COc1cccc(NC(=O)C(=O)N2CCC23CCC3)c1 ZINC000441530474 416675235 /nfs/dbraw/zinc/67/52/35/416675235.db2.gz QVHCJVHCQZSFQS-UHFFFAOYSA-N 0 0 317.345 0.644 10 0 DCAERN Cc1cc(CCNC(=O)c2sccc2-n2cnnn2)on1 ZINC000557677549 416746787 /nfs/dbraw/zinc/74/67/87/416746787.db2.gz ZTRUXYYEMJSULS-UHFFFAOYSA-N 0 0 304.335 0.993 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000443276777 416748787 /nfs/dbraw/zinc/74/87/87/416748787.db2.gz YXJANCWYYUDKAW-UHFFFAOYSA-N 0 0 317.349 0.106 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000368938508 416707061 /nfs/dbraw/zinc/70/70/61/416707061.db2.gz WJKJVRBCGNDJPK-KBPBESRZSA-N 0 0 316.467 1.000 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000623148284 416756569 /nfs/dbraw/zinc/75/65/69/416756569.db2.gz RYNYMURZJUYPMY-JHJVBQTASA-N 0 0 320.393 0.625 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccccc2S(C)(=O)=O)cn1 ZINC000443460153 416759114 /nfs/dbraw/zinc/75/91/14/416759114.db2.gz JVPILLWGPGTYFJ-UHFFFAOYSA-N 0 0 309.347 0.841 10 0 DCAERN C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000559764445 416824073 /nfs/dbraw/zinc/82/40/73/416824073.db2.gz FSVHCUOUIQGMSW-MGUXCZDKSA-N 0 0 322.390 0.498 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000558595054 416780694 /nfs/dbraw/zinc/78/06/94/416780694.db2.gz HSGDZLJAJQYFKQ-PWSUYJOCSA-N 0 0 315.395 0.271 10 0 DCAERN O=C(CNC(=O)C1CC1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000558922600 416798130 /nfs/dbraw/zinc/79/81/30/416798130.db2.gz FJUOCSJMAUDOOZ-JSGCOSHPSA-N 0 0 310.394 0.197 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@@H]1CCOC1 ZINC000517772834 416824976 /nfs/dbraw/zinc/82/49/76/416824976.db2.gz OFKNOAGOOACGJG-YVECIDJPSA-N 0 0 310.394 0.554 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1c1nc(C(F)(F)F)ns1 ZINC000517603015 416815104 /nfs/dbraw/zinc/81/51/04/416815104.db2.gz QEODHFZADCTWEK-YFKPBYRVSA-N 0 0 316.330 0.814 10 0 DCAERN CCOC[C@H](O)CN[C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444766070 416867526 /nfs/dbraw/zinc/86/75/26/416867526.db2.gz KTORHTSXQZDHFS-JMSVASOKSA-N 0 0 303.399 0.720 10 0 DCAERN CCOC[C@H](O)CN[C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444766071 416870344 /nfs/dbraw/zinc/87/03/44/416870344.db2.gz KTORHTSXQZDHFS-LALPHHSUSA-N 0 0 303.399 0.720 10 0 DCAERN C[S@@](=O)c1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000370102352 416881927 /nfs/dbraw/zinc/88/19/27/416881927.db2.gz CBQYADLAXGSIJP-RCDICMHDSA-N 0 0 322.430 0.510 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370119279 416887258 /nfs/dbraw/zinc/88/72/58/416887258.db2.gz DRDXUKBRTKVIRV-CZUORRHYSA-N 0 0 310.394 0.794 10 0 DCAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC(O)(CO)C2)cc1 ZINC000615426797 416827407 /nfs/dbraw/zinc/82/74/07/416827407.db2.gz MWEIICMCUUCXKT-ZDUSSCGKSA-N 0 0 321.373 0.541 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289976 416828992 /nfs/dbraw/zinc/82/89/92/416828992.db2.gz TYMIXCIWIZMHOL-GXFFZTMASA-N 0 0 322.427 0.519 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nccs1 ZINC000623575382 416847245 /nfs/dbraw/zinc/84/72/45/416847245.db2.gz XUIQVJYMFSAUTM-UHFFFAOYSA-N 0 0 312.395 0.891 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CC1(C)C ZINC000445992418 416907686 /nfs/dbraw/zinc/90/76/86/416907686.db2.gz PJAUOZHLKCWROY-WCBMZHEXSA-N 0 0 300.384 0.002 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CCOC(C)(C)C)[C@@H](C)C1 ZINC000632106945 416909826 /nfs/dbraw/zinc/90/98/26/416909826.db2.gz OJGYOMFIVPGZLG-NSHDSACASA-N 0 0 306.428 0.684 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000615819074 416915778 /nfs/dbraw/zinc/91/57/78/416915778.db2.gz ZTEHSYQEVHNCOS-CRWXNKLISA-N 0 0 321.377 0.124 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519581550 416920656 /nfs/dbraw/zinc/92/06/56/416920656.db2.gz VIXUKEYPHSPXCO-NSHDSACASA-N 0 0 301.350 0.435 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2c1cnn2CCO ZINC000632139739 416925685 /nfs/dbraw/zinc/92/56/85/416925685.db2.gz UTQMZKSRVJOKGD-DZGCQCFKSA-N 0 0 320.393 0.380 10 0 DCAERN CCn1cc(-c2nn(C)cc2C(=O)N2CCC23COC3)cn1 ZINC000615923992 416932175 /nfs/dbraw/zinc/93/21/75/416932175.db2.gz XCHADHIEELBKLR-UHFFFAOYSA-N 0 0 301.350 0.918 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)c2ncsc2Br)C1=O ZINC000565203796 416944011 /nfs/dbraw/zinc/94/40/11/416944011.db2.gz KZCDPTWITZWLNW-SCSAIBSYSA-N 0 0 318.152 0.393 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)CCOC(C)(C)C ZINC000632200238 416953409 /nfs/dbraw/zinc/95/34/09/416953409.db2.gz BNZDGPYKELXVLS-LBPRGKRZSA-N 0 0 307.412 0.811 10 0 DCAERN COc1ccccc1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000447899840 417035644 /nfs/dbraw/zinc/03/56/44/417035644.db2.gz XGRIDGZWLAQJNL-QGZVFWFLSA-N 0 0 316.357 0.924 10 0 DCAERN c1cnc(-c2noc(-c3ccnc(N4CCOCC4)n3)n2)nc1 ZINC000624446469 417039592 /nfs/dbraw/zinc/03/95/92/417039592.db2.gz NJHFOZDOCKZYQR-UHFFFAOYSA-N 0 0 311.305 0.820 10 0 DCAERN c1cc(Cc2noc(-c3ccnc(N4CCOCC4)n3)n2)no1 ZINC000624519633 417052612 /nfs/dbraw/zinc/05/26/12/417052612.db2.gz LIJNMDJARFXFDE-UHFFFAOYSA-N 0 0 314.305 0.942 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000522224171 417055965 /nfs/dbraw/zinc/05/59/65/417055965.db2.gz WNFYSOFIMFPLIC-IHRRRGAJSA-N 0 0 323.455 0.298 10 0 DCAERN c1cc(-c2noc(-c3ccnc(N4CCOCC4)n3)n2)ncn1 ZINC000624600429 417065398 /nfs/dbraw/zinc/06/53/98/417065398.db2.gz MQFWFAAUYFLORJ-UHFFFAOYSA-N 0 0 311.305 0.820 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3cnc(C)cn3)CC2)[nH]1 ZINC000522857236 417069268 /nfs/dbraw/zinc/06/92/68/417069268.db2.gz OWXRFIACZWELSX-UHFFFAOYSA-N 0 0 301.354 0.170 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616602427 417083702 /nfs/dbraw/zinc/08/37/02/417083702.db2.gz JZQNJZCNLRPGHM-CYBMUJFWSA-N 0 0 308.363 0.869 10 0 DCAERN NS(=O)(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000616620813 417085338 /nfs/dbraw/zinc/08/53/38/417085338.db2.gz SUFNOHVPGGDIHE-UHFFFAOYSA-N 0 0 304.393 0.128 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1cccnn1 ZINC000616638847 417086750 /nfs/dbraw/zinc/08/67/50/417086750.db2.gz JCJKNMMHMDMHMU-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN COc1ccccc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC000404196951 417118312 /nfs/dbraw/zinc/11/83/12/417118312.db2.gz ITNLOYSJEVAUKP-CYBMUJFWSA-N 0 0 301.364 0.515 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1cc(F)ccc1F ZINC000404153619 417118838 /nfs/dbraw/zinc/11/88/38/417118838.db2.gz ORZXNIFSOARDIL-GFCCVEGCSA-N 0 0 307.318 0.785 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1cc(F)ccc1F ZINC000404153620 417119141 /nfs/dbraw/zinc/11/91/41/417119141.db2.gz ORZXNIFSOARDIL-LBPRGKRZSA-N 0 0 307.318 0.785 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC000404212495 417119401 /nfs/dbraw/zinc/11/94/01/417119401.db2.gz WRVGOABOZQQKEJ-ZDUSSCGKSA-N 0 0 306.428 0.627 10 0 DCAERN C[C@H]1CN(C(=O)c2nscc2Br)CC(=O)N1 ZINC000404808175 417121724 /nfs/dbraw/zinc/12/17/24/417121724.db2.gz VGKMARSRWHCZHZ-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000407989229 417130821 /nfs/dbraw/zinc/13/08/21/417130821.db2.gz GLOJQDBDYKNDRG-ILXRZTDVSA-N 0 0 323.437 0.709 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)C1=O ZINC000407985812 417130471 /nfs/dbraw/zinc/13/04/71/417130471.db2.gz PYEDPKIBLXUSPM-QWRGUYRKSA-N 0 0 310.398 0.352 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408084530 417140004 /nfs/dbraw/zinc/14/00/04/417140004.db2.gz RAVNYPGXBKMTSQ-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000408078104 417141222 /nfs/dbraw/zinc/14/12/22/417141222.db2.gz ATZNLJOQCWZLTQ-GMTAPVOTSA-N 0 0 303.380 0.079 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000408273583 417151491 /nfs/dbraw/zinc/15/14/91/417151491.db2.gz RASSGWLEASAECQ-ZUEPYMLJSA-N 0 0 311.378 0.984 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408393514 417158212 /nfs/dbraw/zinc/15/82/12/417158212.db2.gz MXNWFJHKAKVRPM-VXGBXAGGSA-N 0 0 323.393 0.590 10 0 DCAERN CN(C)c1nc(N)nc(C(=O)NC[C@H]2COc3ccccc32)n1 ZINC000568762393 417174212 /nfs/dbraw/zinc/17/42/12/417174212.db2.gz JBFXZLVWPMYJSA-VIFPVBQESA-N 0 0 314.349 0.426 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)s1 ZINC000632576867 417175422 /nfs/dbraw/zinc/17/54/22/417175422.db2.gz BYFYYJXWOADOIV-SNVBAGLBSA-N 0 0 304.437 0.608 10 0 DCAERN CN(C[C@H](O)CO)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000527209419 417223048 /nfs/dbraw/zinc/22/30/48/417223048.db2.gz SNJHFLIHTHNNAH-AWEZNQCLSA-N 0 0 309.366 0.340 10 0 DCAERN CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000525969284 417164927 /nfs/dbraw/zinc/16/49/27/417164927.db2.gz ILLSMCKTCFRVSV-IUCAKERBSA-N 0 0 314.363 0.719 10 0 DCAERN CC1=CCN(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)CC1 ZINC000525969879 417166338 /nfs/dbraw/zinc/16/63/38/417166338.db2.gz LVSUSFJEWXZTDR-ZDUSSCGKSA-N 0 0 315.439 0.467 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@H](c1nc(C)cs1)C1CC1 ZINC000569575025 417267002 /nfs/dbraw/zinc/26/70/02/417267002.db2.gz SYEMUCYYGPXMPU-JTQLQIEISA-N 0 0 318.424 0.073 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccc(C(N)=O)cn2)CC12COC2 ZINC000450553385 417234724 /nfs/dbraw/zinc/23/47/24/417234724.db2.gz BQDGKDWGVXCYOD-LLVKDONJSA-N 0 0 305.334 0.196 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccc3nnc(C)n3n2)CC12COC2 ZINC000450565385 417238022 /nfs/dbraw/zinc/23/80/22/417238022.db2.gz QJPAMMPPHITWFZ-NSHDSACASA-N 0 0 317.349 0.449 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cc(C)nc(OC)n2)CC12COC2 ZINC000450571025 417239843 /nfs/dbraw/zinc/23/98/43/417239843.db2.gz PSJMQWCYDPYDJM-NSHDSACASA-N 0 0 307.350 0.810 10 0 DCAERN CC1(C)C[C@H](C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C(C)(C)O1 ZINC000528535994 417356074 /nfs/dbraw/zinc/35/60/74/417356074.db2.gz VLSJLFURUYXKQO-NXEZZACHSA-N 0 0 304.412 0.470 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)NCCc2cc(C)no2)CC1 ZINC000451538565 417357589 /nfs/dbraw/zinc/35/75/89/417357589.db2.gz WNSIXBYDDZBAOT-UHFFFAOYSA-N 0 0 316.379 0.931 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N2CCCCCC2)CC12COC2 ZINC000451124448 417303451 /nfs/dbraw/zinc/30/34/51/417303451.db2.gz IFAXBHKGKMBXNJ-CQSZACIVSA-N 0 0 324.421 0.901 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000570220248 417326370 /nfs/dbraw/zinc/32/63/70/417326370.db2.gz LKBJONJXUGGBAD-CMPLNLGQSA-N 0 0 302.334 0.957 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000633360575 417417032 /nfs/dbraw/zinc/41/70/32/417417032.db2.gz UWCQMDUXFUOLFF-RWMBFGLXSA-N 0 0 314.407 0.175 10 0 DCAERN CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)CC2CC2)CC1 ZINC000451987901 417427171 /nfs/dbraw/zinc/42/71/71/417427171.db2.gz OWMHOCARQZJSKB-UHFFFAOYSA-N 0 0 310.486 0.861 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC(CO)(c2ccccc2)C1 ZINC000633430623 417427210 /nfs/dbraw/zinc/42/72/10/417427210.db2.gz RONPRVYDQGFHGZ-OAHLLOKOSA-N 0 0 302.374 0.770 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CC(=O)N1CCCC1 ZINC000451673610 417377190 /nfs/dbraw/zinc/37/71/90/417377190.db2.gz UIRKTDAMIZDGGZ-UHFFFAOYSA-N 0 0 317.389 0.926 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCn1cnccc1=O)C1CCCC1 ZINC000633560373 417452963 /nfs/dbraw/zinc/45/29/63/417452963.db2.gz UZMVVSFNHQFYCI-AWEZNQCLSA-N 0 0 306.366 0.054 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)COCCCOC)CC12COC2 ZINC000452264359 417462813 /nfs/dbraw/zinc/46/28/13/417462813.db2.gz OCNSPKCPDNQNQW-LBPRGKRZSA-N 0 0 315.366 0.078 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CCCn3nccc32)CC1 ZINC000633625447 417464899 /nfs/dbraw/zinc/46/48/99/417464899.db2.gz NSIGYOJMXPRRIQ-CYBMUJFWSA-N 0 0 305.382 0.982 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000633625799 417468362 /nfs/dbraw/zinc/46/83/62/417468362.db2.gz ITPJSBVKHPQMBF-USWWRNFRSA-N 0 0 302.396 0.079 10 0 DCAERN COC(=O)c1ccc(CCC(=O)c2c(N)nc(N)[nH]c2=O)cc1 ZINC000575417837 417535669 /nfs/dbraw/zinc/53/56/69/417535669.db2.gz YDYZXSXSUYUFOT-UHFFFAOYSA-N 0 0 316.317 0.949 10 0 DCAERN O=C([C@@H](O)C1CCOCC1)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530075321 417538321 /nfs/dbraw/zinc/53/83/21/417538321.db2.gz HSLLLFQQYHPEBH-OCCSQVGLSA-N 0 0 307.350 0.633 10 0 DCAERN CO[C@@](C)(CNC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000452759854 417499974 /nfs/dbraw/zinc/49/99/74/417499974.db2.gz UGMZJYFNKZMBNV-INIZCTEOSA-N 0 0 306.362 0.523 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000627839481 417514710 /nfs/dbraw/zinc/51/47/10/417514710.db2.gz OTGGIXQEJSNEGN-ZSBIGDGJSA-N 0 0 309.410 0.711 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)Nc2cnn3c2CCCC3)CC1 ZINC000634578683 417519515 /nfs/dbraw/zinc/51/95/15/417519515.db2.gz NQYQYVPVNBCRLK-LBPRGKRZSA-N 0 0 319.409 0.711 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CCN(Cc3nc(C)no3)CC2)C1 ZINC000530513586 417581553 /nfs/dbraw/zinc/58/15/53/417581553.db2.gz HCLHPPDAZPGBKY-STQMWFEESA-N 0 0 323.397 0.773 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1C[C@H]1CC ZINC000454878087 417583747 /nfs/dbraw/zinc/58/37/47/417583747.db2.gz PFLSCNAYZZSBLU-YFKTTZPYSA-N 0 0 313.398 0.788 10 0 DCAERN CNC(=O)C[C@@H](C)NC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000455515305 417607842 /nfs/dbraw/zinc/60/78/42/417607842.db2.gz KFFDLBLHFJKNCA-LLVKDONJSA-N 0 0 323.372 0.577 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000530288612 417563393 /nfs/dbraw/zinc/56/33/93/417563393.db2.gz SPYOKNRWTBNULI-NWDGAFQWSA-N 0 0 307.394 0.858 10 0 DCAERN CN1CCC[C@H](NC(=O)NCC(=O)NC2CCCCC2)C1=O ZINC000531366327 417619642 /nfs/dbraw/zinc/61/96/42/417619642.db2.gz GTZXPCROCZJHJR-LBPRGKRZSA-N 0 0 310.398 0.355 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC000440174603 287393708 /nfs/dbraw/zinc/39/37/08/287393708.db2.gz XRJDYMAESIVZOK-IHWYPQMZSA-N 0 0 300.355 0.894 10 0 DCAERN CN(C)C(=O)C1(NC(=O)COc2cnn(C)c2)CCCCC1 ZINC000456090734 417625776 /nfs/dbraw/zinc/62/57/76/417625776.db2.gz YGVWMELVQXOXFE-UHFFFAOYSA-N 0 0 308.382 0.706 10 0 DCAERN COC(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c[nH]1 ZINC000457264543 417700597 /nfs/dbraw/zinc/70/05/97/417700597.db2.gz HSYRMBKJGHHANX-GHMZBOCLSA-N 0 0 305.334 0.685 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cc2c(cn1)OCCO2 ZINC000644716594 417648974 /nfs/dbraw/zinc/64/89/74/417648974.db2.gz HSZIEGFQIQZOOD-LBPRGKRZSA-N 0 0 305.334 0.640 10 0 DCAERN CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000577012477 417657226 /nfs/dbraw/zinc/65/72/26/417657226.db2.gz AUWZUTATVYCHEV-OAHLLOKOSA-N 0 0 304.350 0.940 10 0 DCAERN COC(=O)c1cc(C)nc(NC[C@@H](C)N2CCCCC2=O)n1 ZINC000577762274 417679581 /nfs/dbraw/zinc/67/95/81/417679581.db2.gz JWVOHSPSPDOCIW-LLVKDONJSA-N 0 0 306.366 1.385 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)(C)C ZINC000443200961 287414452 /nfs/dbraw/zinc/41/44/52/287414452.db2.gz UPUSZMSFISVUBT-VHSXEESVSA-N 0 0 322.427 0.408 10 0 DCAERN CCc1nnc(CNC(=O)NCC(=O)NC2CCCCC2)[nH]1 ZINC000458111640 417721286 /nfs/dbraw/zinc/72/12/86/417721286.db2.gz OYJJNXJYSURJRJ-UHFFFAOYSA-N 0 0 308.386 0.615 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458135684 417723106 /nfs/dbraw/zinc/72/31/06/417723106.db2.gz WXKBQGMHPBCSHO-ZDUSSCGKSA-N 0 0 304.350 0.451 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148814 417725001 /nfs/dbraw/zinc/72/50/01/417725001.db2.gz UDSDCDHMUIXUHM-GFCCVEGCSA-N 0 0 324.768 0.660 10 0 DCAERN COc1cc(Cl)cc(C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458151799 417725034 /nfs/dbraw/zinc/72/50/34/417725034.db2.gz XADMTVFADLFMTP-LLVKDONJSA-N 0 0 310.741 0.731 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000664270744 418107612 /nfs/dbraw/zinc/10/76/12/418107612.db2.gz SYFMDSQLFSRXNY-NKWVEPMBSA-N 0 0 311.285 0.719 10 0 DCAERN COC(=O)CN1CCN(c2ccc3c(n2)CCCC3=O)CC1 ZINC000450247554 287442242 /nfs/dbraw/zinc/44/22/42/287442242.db2.gz YOXWZHSBIKXNBR-UHFFFAOYSA-N 0 0 303.362 0.896 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cn1 ZINC000182165339 545904155 /nfs/dbraw/zinc/90/41/55/545904155.db2.gz BSRFQJNUDLAJIB-LLVKDONJSA-N 0 0 317.798 0.775 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)CSC ZINC000488332657 287549544 /nfs/dbraw/zinc/54/95/44/287549544.db2.gz SOJCVJNCSPNMAD-UTLUCORTSA-N 0 0 304.412 0.558 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)C(F)(F)F ZINC000488269778 287548210 /nfs/dbraw/zinc/54/82/10/287548210.db2.gz ZYJZIYRMXCWIAJ-RNJXMRFFSA-N 0 0 312.288 0.757 10 0 DCAERN CN1CCN(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000489503211 287554437 /nfs/dbraw/zinc/55/44/37/287554437.db2.gz WRAZUWUWOUHZAL-UHFFFAOYSA-N 0 0 302.382 0.619 10 0 DCAERN O=C(Cc1ccccc1)NCC(=O)N1CCSC[C@@H]1CCO ZINC000494943426 287582455 /nfs/dbraw/zinc/58/24/55/287582455.db2.gz WOTHIZOWRIAAFL-AWEZNQCLSA-N 0 0 322.430 0.672 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)CCc1cccc2c1OCO2 ZINC000299745930 229387557 /nfs/dbraw/zinc/38/75/57/229387557.db2.gz UDQSILLLQSHCQO-MNOVXSKESA-N 0 0 308.309 0.772 10 0 DCAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C(N)=O ZINC000227869903 545945721 /nfs/dbraw/zinc/94/57/21/545945721.db2.gz FTZROYMRVSYYCM-MUWHJKNJSA-N 0 0 321.160 0.723 10 0 DCAERN COCCCNC(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105921228 261107959 /nfs/dbraw/zinc/10/79/59/261107959.db2.gz WPFDISAUSDVDLS-AWEZNQCLSA-N 0 0 310.398 0.045 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000179265806 261112061 /nfs/dbraw/zinc/11/20/61/261112061.db2.gz CXWGOYZTMXLQSE-LLVKDONJSA-N 0 0 302.400 0.513 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CCOC1 ZINC000179194854 261112091 /nfs/dbraw/zinc/11/20/91/261112091.db2.gz IKNUJIUSHILBNN-INIZCTEOSA-N 0 0 303.406 0.709 10 0 DCAERN CN(C(=O)N[C@@H]1CCOC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000179170139 261112254 /nfs/dbraw/zinc/11/22/54/261112254.db2.gz AXGXJHFFYPGTDV-OLZOCXBDSA-N 0 0 305.382 0.876 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(C)C ZINC000179706483 261113585 /nfs/dbraw/zinc/11/35/85/261113585.db2.gz YQJPXGVZSBTNAG-SNVBAGLBSA-N 0 0 318.420 0.652 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCCCOC(C)C)cn1 ZINC000182270197 261115778 /nfs/dbraw/zinc/11/57/78/261115778.db2.gz ZCJXBWORNHJFTK-UHFFFAOYSA-N 0 0 311.386 0.956 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(F)(F)CO ZINC000183905298 261117702 /nfs/dbraw/zinc/11/77/02/261117702.db2.gz GFPLJHRXYRSPHJ-SECBINFHSA-N 0 0 301.293 0.940 10 0 DCAERN CCC1(CC)CN(CCC(=O)N2CCOCC2)CC[S@]1=O ZINC000185268947 261119369 /nfs/dbraw/zinc/11/93/69/261119369.db2.gz GLFWGIZVBCFUGJ-OAQYLSRUSA-N 0 0 316.467 0.858 10 0 DCAERN NC(=O)c1coc(CNC(=O)CNC(=O)c2cccc(F)c2)c1 ZINC000186681061 261121449 /nfs/dbraw/zinc/12/14/49/261121449.db2.gz CLGNHZOOPHEKSX-UHFFFAOYSA-N 0 0 319.292 0.564 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NCc1cc(C(N)=O)co1 ZINC000187855697 261125008 /nfs/dbraw/zinc/12/50/08/261125008.db2.gz YSZQJCQWVMKWDL-UHFFFAOYSA-N 0 0 316.379 0.600 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000187879051 261125033 /nfs/dbraw/zinc/12/50/33/261125033.db2.gz CTDXAXCAEDAGOC-VXGBXAGGSA-N 0 0 306.428 0.541 10 0 DCAERN NC(=O)c1coc(CNS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000188242541 261126085 /nfs/dbraw/zinc/12/60/85/261126085.db2.gz KQBZXJGTOZDPPV-UHFFFAOYSA-N 0 0 322.342 0.792 10 0 DCAERN Cc1nc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)c(=O)[nH]c1C ZINC000188999779 261131053 /nfs/dbraw/zinc/13/10/53/261131053.db2.gz QJXVSGKKBXRZTG-LLVKDONJSA-N 0 0 306.366 0.373 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000190052185 261133306 /nfs/dbraw/zinc/13/33/06/261133306.db2.gz VZDVMFJZDPFMLR-UHFFFAOYSA-N 0 0 313.304 0.874 10 0 DCAERN CCOC(=O)[C@H](CC)N(C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000190688479 261135458 /nfs/dbraw/zinc/13/54/58/261135458.db2.gz WMMVFQZZOYOLBT-KGLIPLIRSA-N 0 0 312.410 0.776 10 0 DCAERN CCOC(=O)[C@H](CC)N(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190611788 261135510 /nfs/dbraw/zinc/13/55/10/261135510.db2.gz ICSGCNQVSPLJHP-CABCVRRESA-N 0 0 314.426 0.486 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000191345184 261137034 /nfs/dbraw/zinc/13/70/34/261137034.db2.gz QBXXCYHSDLINQL-UHFFFAOYSA-N 0 0 314.345 0.762 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000191348935 261137052 /nfs/dbraw/zinc/13/70/52/261137052.db2.gz SAKUNSGJVBESHW-UHFFFAOYSA-N 0 0 306.322 0.146 10 0 DCAERN Cc1cc(COCC(=O)N2c3ccccc3C[C@H]2C(N)=O)on1 ZINC000193529210 261142522 /nfs/dbraw/zinc/14/25/22/261142522.db2.gz ACMPDLGGEAFYNS-AWEZNQCLSA-N 0 0 315.329 0.943 10 0 DCAERN O=C(Nc1ccc2c(c1)CCO2)C(=O)N1CCN(C2CC2)CC1 ZINC000194576963 261146816 /nfs/dbraw/zinc/14/68/16/261146816.db2.gz GTHSAWGWWFVLST-UHFFFAOYSA-N 0 0 315.373 0.867 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000194679187 261147381 /nfs/dbraw/zinc/14/73/81/261147381.db2.gz UGCOFWDZVNDWOO-ZDUSSCGKSA-N 0 0 318.439 0.733 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)c2cccnn2)cc1 ZINC000194770731 261148163 /nfs/dbraw/zinc/14/81/63/261148163.db2.gz SDVYAYOISDATLI-UHFFFAOYSA-N 0 0 306.347 0.661 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194770518 261148585 /nfs/dbraw/zinc/14/85/85/261148585.db2.gz OBCJVNBLZUGHQE-BETUJISGSA-N 0 0 307.394 0.865 10 0 DCAERN O=C(c1cccnc1N1CCOCC1)N1CCN(C2CC2)CC1 ZINC000195128303 261150472 /nfs/dbraw/zinc/15/04/72/261150472.db2.gz ABXOHSYFKKKDFC-UHFFFAOYSA-N 0 0 316.405 0.838 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 ZINC000221268743 261152115 /nfs/dbraw/zinc/15/21/15/261152115.db2.gz UKALAJPJVFRBGQ-GWCFXTLKSA-N 0 0 312.391 0.438 10 0 DCAERN CCNC(=O)[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C(C)C ZINC000354229934 261193642 /nfs/dbraw/zinc/19/36/42/261193642.db2.gz GTIADXYSAHAPGG-MRVWCRGKSA-N 0 0 322.409 0.775 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000354892587 261282352 /nfs/dbraw/zinc/28/23/52/261282352.db2.gz FCYJNFFWTSVFAF-FVQBIDKESA-N 0 0 318.373 0.832 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000355268989 261323804 /nfs/dbraw/zinc/32/38/04/261323804.db2.gz BURAQPBXJJPEIR-YUELXQCFSA-N 0 0 306.337 0.911 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@@]1(CCO)CCOC1)C1CCCC1 ZINC000356014902 261382995 /nfs/dbraw/zinc/38/29/95/261382995.db2.gz CPBNZWFUZXUSOW-GDBMZVCRSA-N 0 0 312.410 0.587 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)NCc1nnc(C)n1C ZINC000357534780 261552269 /nfs/dbraw/zinc/55/22/69/261552269.db2.gz XTMNHPZYUCAKDI-UHFFFAOYSA-N 0 0 322.390 0.847 10 0 DCAERN COC[C@H](CNC(=O)NCCCc1nnc2ccccn21)OC ZINC000358138116 261638485 /nfs/dbraw/zinc/63/84/85/261638485.db2.gz PEEZOQIFRSEZBG-LBPRGKRZSA-N 0 0 321.381 0.623 10 0 DCAERN CN(C)C(=O)CC1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000358179588 261644343 /nfs/dbraw/zinc/64/43/43/261644343.db2.gz AICQPGXHHOMYRK-UHFFFAOYSA-N 0 0 307.398 0.852 10 0 DCAERN CC(C)CN1CCN(C(=O)NCCc2cn[nH]c2)[C@H](C)C1=O ZINC000358199383 261647810 /nfs/dbraw/zinc/64/78/10/261647810.db2.gz RKPSVFWOOHXPHL-GFCCVEGCSA-N 0 0 307.398 0.851 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cn1 ZINC000361852923 261968581 /nfs/dbraw/zinc/96/85/81/261968581.db2.gz ZMRTXKHKJNHBQU-IUCAKERBSA-N 0 0 307.354 0.309 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000362127148 262002327 /nfs/dbraw/zinc/00/23/27/262002327.db2.gz XQHHMSDLMBMTSA-MEBBXXQBSA-N 0 0 324.381 0.138 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000362235714 262013632 /nfs/dbraw/zinc/01/36/32/262013632.db2.gz ILNJSMOWTKEGRB-BONVTDFDSA-N 0 0 309.366 0.344 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2cc(OC)n(C)n2)no1 ZINC000362313125 262021514 /nfs/dbraw/zinc/02/15/14/262021514.db2.gz KMELTUHEWPKMEW-UHFFFAOYSA-N 0 0 322.321 0.868 10 0 DCAERN c1nnc2c(N3CCCC[C@H]3CN3CCOCC3)nccn12 ZINC000362319939 262022711 /nfs/dbraw/zinc/02/27/11/262022711.db2.gz QGJVCRPZNCRHRQ-ZDUSSCGKSA-N 0 0 302.382 0.815 10 0 DCAERN CN(CC(=O)N1CCOC[C@H]1C1CC1)C1(C(N)=O)CCCC1 ZINC000362338998 262023635 /nfs/dbraw/zinc/02/36/35/262023635.db2.gz DOHCFPBBYVOUID-ZDUSSCGKSA-N 0 0 309.410 0.354 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)CCOCC(C)C ZINC000362459324 262037854 /nfs/dbraw/zinc/03/78/54/262037854.db2.gz VZILIQMJFHGSCR-UONOGXRCSA-N 0 0 303.399 0.986 10 0 DCAERN CN1CCN(C(=O)C2CCN(C(=O)C3=COCCC3)CC2)CC1 ZINC000363490334 262116980 /nfs/dbraw/zinc/11/69/80/262116980.db2.gz ZEBOKKYBWIZXHA-UHFFFAOYSA-N 0 0 321.421 0.693 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC(OC2CCCC2)CC1 ZINC000364017243 262140174 /nfs/dbraw/zinc/14/01/74/262140174.db2.gz ZZKFSDBGNACHMH-UHFFFAOYSA-N 0 0 310.394 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC(=O)N1C ZINC000374429272 262158064 /nfs/dbraw/zinc/15/80/64/262158064.db2.gz MJUJAVNLBXTKFE-VXGBXAGGSA-N 0 0 307.394 0.467 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](O)CC1 ZINC000393227563 262161284 /nfs/dbraw/zinc/16/12/84/262161284.db2.gz UHIFNWGLDBDWRL-OLZOCXBDSA-N 0 0 318.439 0.564 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC2(C(=O)N(C)C)CC2)cc1 ZINC000416586782 262232844 /nfs/dbraw/zinc/23/28/44/262232844.db2.gz KPQYDHYOONRJSZ-UHFFFAOYSA-N 0 0 310.375 0.788 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](CO)CC(F)F ZINC000429906327 262610043 /nfs/dbraw/zinc/61/00/43/262610043.db2.gz XCBVQQGPPSCOFN-RXMQYKEDSA-N 0 0 303.718 0.368 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCCc2ccn(C)n2)no1 ZINC000359187430 271102242 /nfs/dbraw/zinc/10/22/42/271102242.db2.gz DNXYPDMDTDGUCQ-JTQLQIEISA-N 0 0 322.369 0.943 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(C)[C@@H]2CCSC2)n1 ZINC000359221054 271106021 /nfs/dbraw/zinc/10/60/21/271106021.db2.gz CNSOJZAKNRFKER-GFCCVEGCSA-N 0 0 323.418 0.713 10 0 DCAERN CCCCn1cc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1 ZINC000359238273 271110892 /nfs/dbraw/zinc/11/08/92/271110892.db2.gz IWGAHMILBAOMMR-CYBMUJFWSA-N 0 0 322.413 0.944 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC000359963000 271152296 /nfs/dbraw/zinc/15/22/96/271152296.db2.gz HYJAPNXHIRDLGN-LBPRGKRZSA-N 0 0 323.397 0.372 10 0 DCAERN CNC(=O)[C@@H]1CCN(c2ncc(Br)c(OC)n2)C1 ZINC000398559717 271219032 /nfs/dbraw/zinc/21/90/32/271219032.db2.gz LJANRSFYZLRLPU-SSDOTTSWSA-N 0 0 315.171 0.820 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2cccc3c2OCO3)no1 ZINC000442393661 271669072 /nfs/dbraw/zinc/66/90/72/271669072.db2.gz ILAYXNIJYBVJRT-UHFFFAOYSA-N 0 0 318.289 0.704 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445947643 271751884 /nfs/dbraw/zinc/75/18/84/271751884.db2.gz VQLUNFWFYZXDBA-VSQXVHSFSA-N 0 0 323.374 0.986 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2nc(C)oc2C)CC12COC2 ZINC000452222630 271911564 /nfs/dbraw/zinc/91/15/64/271911564.db2.gz NBFYMNNECIEBJM-NSHDSACASA-N 0 0 308.334 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2(CCOC)CC2)CC12COC2 ZINC000452249853 271912166 /nfs/dbraw/zinc/91/21/66/271912166.db2.gz BZXXNFGNEWFHJA-GFCCVEGCSA-N 0 0 311.378 0.841 10 0 DCAERN CCCn1cc(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)cn1 ZINC000452267895 271913176 /nfs/dbraw/zinc/91/31/76/271913176.db2.gz WCSLKHFESDGRQL-CYBMUJFWSA-N 0 0 321.377 0.945 10 0 DCAERN O=C(COc1ccccc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458131103 271943882 /nfs/dbraw/zinc/94/38/82/271943882.db2.gz QZQXACOBWCTJSQ-JTQLQIEISA-N 0 0 310.741 0.488 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CC3CC2(C(F)(F)F)C3)CC1 ZINC000459794181 272009047 /nfs/dbraw/zinc/00/90/47/272009047.db2.gz MKRULQJVJDCGOX-UHFFFAOYSA-N 0 0 319.327 0.704 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000459930789 272020802 /nfs/dbraw/zinc/02/08/02/272020802.db2.gz ACOKAHXYMFURHU-UHFFFAOYSA-N 0 0 321.343 0.951 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@H](C)COC ZINC000487165302 272038979 /nfs/dbraw/zinc/03/89/79/272038979.db2.gz YSSFTVWLCBKLEZ-AXFHLTTASA-N 0 0 302.371 0.232 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)CC1CC1 ZINC000489582028 272063430 /nfs/dbraw/zinc/06/34/30/272063430.db2.gz UBVIYVRBGORIGP-JQWIXIFHSA-N 0 0 303.428 0.898 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000492257775 272119007 /nfs/dbraw/zinc/11/90/07/272119007.db2.gz LGPUGOXFIPZULU-UHFFFAOYSA-N 0 0 320.455 0.932 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2ccccc2C(=O)OC)n1 ZINC000505571100 272391952 /nfs/dbraw/zinc/39/19/52/272391952.db2.gz UXFMUCPQXBRJRA-UHFFFAOYSA-N 0 0 302.286 0.865 10 0 DCAERN NC(=O)NC[C@@H]1CCCN(C(=O)NCCOCC2CCC2)C1 ZINC000516944192 272451957 /nfs/dbraw/zinc/45/19/57/272451957.db2.gz SISSZWFDIHFXFN-ZDUSSCGKSA-N 0 0 312.414 0.893 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CCC1=O ZINC000529072066 272671171 /nfs/dbraw/zinc/67/11/71/272671171.db2.gz WHYFYOBZBRSJKX-MNOVXSKESA-N 0 0 302.396 0.096 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1occc1Br ZINC000529778255 272711874 /nfs/dbraw/zinc/71/18/74/272711874.db2.gz GMMNTWQSPXVADL-VDTYLAMSSA-N 0 0 303.112 0.103 10 0 DCAERN CC(=O)[C@H]1CC(C(=O)NCC2COC2)=NN1c1ccccc1 ZINC000530114928 287743925 /nfs/dbraw/zinc/74/39/25/287743925.db2.gz IJXQOCZBGQPSMB-OAHLLOKOSA-N 0 0 301.346 0.973 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 ZINC000530411107 287747630 /nfs/dbraw/zinc/74/76/30/287747630.db2.gz ACYANOYFKXMQHB-FRRDWIJNSA-N 0 0 310.398 0.799 10 0 DCAERN CN(CC(=O)N[C@@H]1CCOc2ccccc21)Cc1nnnn1C ZINC000531562673 287781852 /nfs/dbraw/zinc/78/18/52/287781852.db2.gz AYBHUZZPRVWMAA-GFCCVEGCSA-N 0 0 316.365 0.282 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)ccc1O ZINC000534255865 287806730 /nfs/dbraw/zinc/80/67/30/287806730.db2.gz FVFPXGKFHVXFAA-SNVBAGLBSA-N 0 0 308.338 0.353 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](O)C2)nn1-c1nc(C)cc(C)n1 ZINC000534278491 287808716 /nfs/dbraw/zinc/80/87/16/287808716.db2.gz NCFJYTTZXRJMOY-GFCCVEGCSA-N 0 0 301.350 0.794 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000534264965 287807549 /nfs/dbraw/zinc/80/75/49/287807549.db2.gz ACQYSZOYFLEYOQ-RYUDHWBXSA-N 0 0 316.361 0.309 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@H](O)COc2ccccc2)n1 ZINC000535032648 287825412 /nfs/dbraw/zinc/82/54/12/287825412.db2.gz RVDFDEVDQVUPFA-ZDUSSCGKSA-N 0 0 304.350 0.659 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000535727330 287839075 /nfs/dbraw/zinc/83/90/75/287839075.db2.gz BQVRIXRRQNKBIY-UHFFFAOYSA-N 0 0 314.393 0.975 10 0 DCAERN CSc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cn1 ZINC000536505371 287854853 /nfs/dbraw/zinc/85/48/53/287854853.db2.gz YBOIWVRWGAFXRC-SECBINFHSA-N 0 0 323.378 0.011 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC(CCO)C1 ZINC000537216277 287864443 /nfs/dbraw/zinc/86/44/43/287864443.db2.gz LIQGYWSVCOYHKN-INIZCTEOSA-N 0 0 302.374 0.801 10 0 DCAERN CN1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3)CCC1=O ZINC000133331361 276986583 /nfs/dbraw/zinc/98/65/83/276986583.db2.gz GGQUNPZZEYPVFR-LLVKDONJSA-N 0 0 303.362 0.604 10 0 DCAERN CN1C(=O)CC[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1=O ZINC000333377793 277006674 /nfs/dbraw/zinc/00/66/74/277006674.db2.gz BAUDQOBSSMBQGZ-ZYHUDNBSSA-N 0 0 315.329 0.376 10 0 DCAERN CN1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1=O ZINC000189784667 277051134 /nfs/dbraw/zinc/05/11/34/277051134.db2.gz YJPOUDWPACFBQK-UHFFFAOYSA-N 0 0 317.324 0.711 10 0 DCAERN COC(=O)[C@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000368645194 277136792 /nfs/dbraw/zinc/13/67/92/277136792.db2.gz ZUNNNUOCBKKAJP-GFCCVEGCSA-N 0 0 317.301 0.751 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCc3ncnn3C2)CC1=O ZINC000177537106 277162861 /nfs/dbraw/zinc/16/28/61/277162861.db2.gz MXWRYRZZBPALCN-GHMZBOCLSA-N 0 0 320.397 0.292 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)CCC1=O ZINC000120530390 277192656 /nfs/dbraw/zinc/19/26/56/277192656.db2.gz KZAPWEGUJRFACY-AWEZNQCLSA-N 0 0 315.373 0.851 10 0 DCAERN C[C@H]1Oc2ccc(C(=O)Cn3cnn(C)c3=O)cc2NC1=O ZINC000542829060 287950018 /nfs/dbraw/zinc/95/00/18/287950018.db2.gz ATEIRVRVFKKJLK-MRVPVSSYSA-N 0 0 302.290 0.184 10 0 DCAERN COC(=O)[C@H](N1CCN(c2cccnn2)CC1)C1(OC)CCC1 ZINC000289963944 277384342 /nfs/dbraw/zinc/38/43/42/277384342.db2.gz IUNATXGEPLPIAQ-AWEZNQCLSA-N 0 0 320.393 0.709 10 0 DCAERN CC(C)c1ccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)cc1 ZINC000092229676 278040115 /nfs/dbraw/zinc/04/01/15/278040115.db2.gz VLXVAVDPAZJLLT-CQSZACIVSA-N 0 0 305.378 0.935 10 0 DCAERN CC(C)c1ccc(NC(=O)CN2CCOC[C@H]2C(N)=O)cc1 ZINC000092229677 278040492 /nfs/dbraw/zinc/04/04/92/278040492.db2.gz VLXVAVDPAZJLLT-AWEZNQCLSA-N 0 0 305.378 0.935 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCCC[C@H]1C[C@@H](C)O ZINC000329379839 278068090 /nfs/dbraw/zinc/06/80/90/278068090.db2.gz NDPILQHHGMSLHE-UQOMUDLDSA-N 0 0 312.410 0.510 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000329135447 278068720 /nfs/dbraw/zinc/06/87/20/278068720.db2.gz CEBNXAUHMVEEJA-SRRSOLGSSA-N 0 0 302.321 0.472 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000408088800 278162990 /nfs/dbraw/zinc/16/29/90/278162990.db2.gz KRHQKFQWIMOBBU-ZWNOBZJWSA-N 0 0 308.382 0.461 10 0 DCAERN C[C@@H](Cc1ccsc1)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000097528855 278299043 /nfs/dbraw/zinc/29/90/43/278299043.db2.gz SMIYNHKLBVVTHE-NSHDSACASA-N 0 0 309.435 0.993 10 0 DCAERN CCOC(=O)CN(C(=O)c1ccc2nnnn2c1)C1CCC1 ZINC000547339457 288039511 /nfs/dbraw/zinc/03/95/11/288039511.db2.gz NRXZIFKLZAWTOL-UHFFFAOYSA-N 0 0 303.322 0.682 10 0 DCAERN CC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)[C@H](C)n2ncnc2N1C ZINC000192235448 278485958 /nfs/dbraw/zinc/48/59/58/278485958.db2.gz QKUABZAOVPMTNQ-TUAOUCFPSA-N 0 0 305.382 0.983 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)c1cccc2ncnn21 ZINC000547603065 288061705 /nfs/dbraw/zinc/06/17/05/288061705.db2.gz LUUDESFYLVURHK-YPMHNXCESA-N 0 0 320.349 0.280 10 0 DCAERN CCOc1cc(C)ccc1CNC(=O)CN1CCOCC1=O ZINC000547733020 288073505 /nfs/dbraw/zinc/07/35/05/288073505.db2.gz KKNGXROXAYDKTG-UHFFFAOYSA-N 0 0 306.362 0.869 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000547734534 288073932 /nfs/dbraw/zinc/07/39/32/288073932.db2.gz HVGJIGHPXQXZOR-ZDUSSCGKSA-N 0 0 302.330 0.606 10 0 DCAERN CC[C@H](C)c1nnc([C@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC000547735906 288074209 /nfs/dbraw/zinc/07/42/09/288074209.db2.gz BENRFWQFMZNCAM-UWVGGRQHSA-N 0 0 309.370 0.354 10 0 DCAERN CC(C)CN(C(=O)CN1CCS(=O)(=O)C[C@H]1C)C(C)C ZINC000172630328 278810114 /nfs/dbraw/zinc/81/01/14/278810114.db2.gz QPSFLKBQFUNRSG-CYBMUJFWSA-N 0 0 304.456 0.998 10 0 DCAERN Cn1cc(NC(=O)NCc2cccc(N3CCOCC3)n2)cn1 ZINC000547826802 288083011 /nfs/dbraw/zinc/08/30/11/288083011.db2.gz KMZLGDIJWVYZKY-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCCCn1ccnc1 ZINC000548060915 288107557 /nfs/dbraw/zinc/10/75/57/288107557.db2.gz JWJDSIKMNFIKSS-INIZCTEOSA-N 0 0 318.377 0.392 10 0 DCAERN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)CN2CCOCC2=O)c1 ZINC000548064113 288108248 /nfs/dbraw/zinc/10/82/48/288108248.db2.gz XBJLOYIRODQHCY-GJZGRUSLSA-N 0 0 318.373 0.916 10 0 DCAERN COCC1=CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000548064425 288108342 /nfs/dbraw/zinc/10/83/42/288108342.db2.gz DCTOEDOYXSJGNG-INIZCTEOSA-N 0 0 306.362 0.404 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1ccc(OC(F)F)cn1 ZINC000548065344 288108662 /nfs/dbraw/zinc/10/86/62/288108662.db2.gz ZMNKZWCGBDVJKO-UHFFFAOYSA-N 0 0 315.276 0.158 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)NC1(CO)CCC1 ZINC000548189274 288118931 /nfs/dbraw/zinc/11/89/31/288118931.db2.gz UAJYFORPWYUYIH-UHFFFAOYSA-N 0 0 320.393 0.632 10 0 DCAERN Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000378033914 279329862 /nfs/dbraw/zinc/32/98/62/279329862.db2.gz FTIDSASDEIQXHF-UONOGXRCSA-N 0 0 316.361 0.835 10 0 DCAERN COCc1noc(CN2CCN(C(=O)NC[C@H]3C[C@@H]3C)CC2)n1 ZINC000548363608 288135894 /nfs/dbraw/zinc/13/58/94/288135894.db2.gz NNOKAURRKBFLMJ-NWDGAFQWSA-N 0 0 323.397 0.699 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000548414431 288141169 /nfs/dbraw/zinc/14/11/69/288141169.db2.gz YJTGXSNQFGAFKA-ZDUSSCGKSA-N 0 0 315.373 0.777 10 0 DCAERN Cn1ccc(CNc2cc(N3CCN(C)C(=O)C3)ncn2)n1 ZINC000548490760 288148174 /nfs/dbraw/zinc/14/81/74/288148174.db2.gz KUQOKYPCWFXDLR-UHFFFAOYSA-N 0 0 301.354 0.101 10 0 DCAERN C[C@H](CNC(=O)Nc1ccnn1[C@H](C)C1CC1)S(N)(=O)=O ZINC000548504305 288149244 /nfs/dbraw/zinc/14/92/44/288149244.db2.gz MQWAYJIMMNVHQW-RKDXNWHRSA-N 0 0 315.399 0.653 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCC1=O ZINC000122018906 279772440 /nfs/dbraw/zinc/77/24/40/279772440.db2.gz GHDDMPRRQCZTRO-AAEUAGOBSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548667058 288165238 /nfs/dbraw/zinc/16/52/38/288165238.db2.gz YCOCSEZEDIORFN-YRGRVCCFSA-N 0 0 303.366 0.899 10 0 DCAERN Cc1ccc(CCNC(=O)[C@](C)(O)Cn2ccccc2=O)o1 ZINC000548716682 288170086 /nfs/dbraw/zinc/17/00/86/288170086.db2.gz SFPLHJRNPJBFOJ-MRXNPFEDSA-N 0 0 304.346 0.860 10 0 DCAERN Cn1cc(C[C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)cn1 ZINC000548763892 288174457 /nfs/dbraw/zinc/17/44/57/288174457.db2.gz CNRCNZDDVPOCFS-LBPRGKRZSA-N 0 0 303.366 0.624 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC000548807768 288178168 /nfs/dbraw/zinc/17/81/68/288178168.db2.gz DWMHVBUSGIHHKF-UHFFFAOYSA-N 0 0 318.377 0.854 10 0 DCAERN Cn1cc(OCC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cn1 ZINC000549523653 288199652 /nfs/dbraw/zinc/19/96/52/288199652.db2.gz DIULGVLKQUPMDS-DOMZBBRYSA-N 0 0 323.393 0.483 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NC[C@@]1(O)CCOC1 ZINC000549558616 288200378 /nfs/dbraw/zinc/20/03/78/288200378.db2.gz LKQONRRMCFCHFQ-WBMJQRKESA-N 0 0 322.361 0.667 10 0 DCAERN CCc1cc(CNC(=O)C(=O)N(C)Cc2cc(C)on2)on1 ZINC000549794827 288206343 /nfs/dbraw/zinc/20/63/43/288206343.db2.gz OLYFKBKEVIITFD-UHFFFAOYSA-N 0 0 306.322 0.808 10 0 DCAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000265596644 280364348 /nfs/dbraw/zinc/36/43/48/280364348.db2.gz BODBGJGXRYTGGO-CBAPKCEASA-N 0 0 302.334 0.079 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000551786791 288235539 /nfs/dbraw/zinc/23/55/39/288235539.db2.gz GONMPUXNKBTKTD-WPRPVWTQSA-N 0 0 324.406 0.145 10 0 DCAERN O=C(CN1CCCC1=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885140 288240472 /nfs/dbraw/zinc/24/04/72/288240472.db2.gz BQSKOCNKUNSOJG-LLVKDONJSA-N 0 0 304.350 0.885 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)ccc1F ZINC000120483374 280596108 /nfs/dbraw/zinc/59/61/08/280596108.db2.gz OVTLQBFPTVUFEQ-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CC[S@](=O)C1 ZINC000277570387 288257533 /nfs/dbraw/zinc/25/75/33/288257533.db2.gz BAYAPTSIAIONFW-VJBOLBCHSA-N 0 0 324.450 0.643 10 0 DCAERN O=C(NCCSCCCO)C(=O)Nc1ccc2nccn2c1 ZINC000553072387 288286199 /nfs/dbraw/zinc/28/61/99/288286199.db2.gz ILGVHAGEQRCOGV-UHFFFAOYSA-N 0 0 322.390 0.505 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)CC(C)C)CCN1C[C@H](C)O ZINC000408136651 288294582 /nfs/dbraw/zinc/29/45/82/288294582.db2.gz GJBXPTYXCBSXBM-KBPBESRZSA-N 0 0 321.487 0.596 10 0 DCAERN CC1(C)CN(CC(F)(F)F)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000180956325 281232836 /nfs/dbraw/zinc/23/28/36/281232836.db2.gz HHRGWAPTHZKBBB-VIFPVBQESA-N 0 0 307.316 0.608 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CSC[C@@H]2C)C1 ZINC000553968116 288311324 /nfs/dbraw/zinc/31/13/24/288311324.db2.gz HKMZUPVESGXMJD-DCAQKATOSA-N 0 0 300.428 0.841 10 0 DCAERN Cn1cc(OCC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cn1 ZINC000554529396 288326639 /nfs/dbraw/zinc/32/66/39/288326639.db2.gz JQNVKJZIKCAYBO-LLVKDONJSA-N 0 0 317.271 0.952 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)NCCOCC1CCC1 ZINC000555227974 288346642 /nfs/dbraw/zinc/34/66/42/288346642.db2.gz PASALKOVUMACPX-UHFFFAOYSA-N 0 0 304.350 0.429 10 0 DCAERN CC[C@@H](C(=O)N1CCOCC1)N1C(=O)CN(C2CCC2)C1=O ZINC000555733400 288361059 /nfs/dbraw/zinc/36/10/59/288361059.db2.gz PIOQOYAQVBEJIQ-LBPRGKRZSA-N 0 0 309.366 0.441 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000556729128 288388427 /nfs/dbraw/zinc/38/84/27/288388427.db2.gz ZEDOSBMEQDXXLN-CVEARBPZSA-N 0 0 320.389 0.623 10 0 DCAERN C[C@H](NC(=O)COc1cnn(C)c1)C(=O)Nc1ccccc1 ZINC000558607444 288450226 /nfs/dbraw/zinc/45/02/26/288450226.db2.gz OQAYXTKAAHPAGH-NSHDSACASA-N 0 0 302.334 0.942 10 0 DCAERN CN1CCN(C(=O)c2ncsc2Br)CC1=O ZINC000561256349 288536254 /nfs/dbraw/zinc/53/62/54/288536254.db2.gz CGHMJAHEGHCGBT-UHFFFAOYSA-N 0 0 304.169 0.820 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H](C)S1(=O)=O ZINC000561803901 288552143 /nfs/dbraw/zinc/55/21/43/288552143.db2.gz HLLRGEHAJWZRQE-QWRGUYRKSA-N 0 0 322.390 0.767 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cncnc1CC ZINC000562349567 288567842 /nfs/dbraw/zinc/56/78/42/288567842.db2.gz DAPKOINTXCXFDW-VHSXEESVSA-N 0 0 322.365 0.225 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2COc3ccccc3C2=O)cn1 ZINC000562742298 288594913 /nfs/dbraw/zinc/59/49/13/288594913.db2.gz CZMMSFCXVZCFHN-GFCCVEGCSA-N 0 0 301.302 0.559 10 0 DCAERN CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000563708339 288699170 /nfs/dbraw/zinc/69/91/70/288699170.db2.gz LFOUWCMXHWCNCU-CQSZACIVSA-N 0 0 322.390 0.503 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000408010509 288702462 /nfs/dbraw/zinc/70/24/62/288702462.db2.gz OWEPHWGFCZIKAI-NXEZZACHSA-N 0 0 300.384 0.178 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000564625102 288753697 /nfs/dbraw/zinc/75/36/97/288753697.db2.gz SZRREVIYIKWGFJ-MRXNPFEDSA-N 0 0 303.362 0.930 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCCC[C@H]2c2ncon2)O1 ZINC000329298441 289024566 /nfs/dbraw/zinc/02/45/66/289024566.db2.gz UOGBQLNYRYMKRZ-TUAOUCFPSA-N 0 0 322.365 0.759 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000075019197 289254730 /nfs/dbraw/zinc/25/47/30/289254730.db2.gz PDPLEQNCALIHOB-UHFFFAOYSA-N 0 0 305.444 0.763 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@@H]21 ZINC000328841457 290114853 /nfs/dbraw/zinc/11/48/53/290114853.db2.gz PMFUTNIKJDYEDC-KBPBESRZSA-N 0 0 317.455 0.512 10 0 DCAERN CNC(=O)CC(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185916108 290367548 /nfs/dbraw/zinc/36/75/48/290367548.db2.gz HRPSLOQNIPFHGJ-SECBINFHSA-N 0 0 312.395 0.749 10 0 DCAERN Cc1nc2c(cnn2C)c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000176705280 293414178 /nfs/dbraw/zinc/41/41/78/293414178.db2.gz UAGUJWOOQUILIU-BXUZGUMPSA-N 0 0 316.409 0.829 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000365551219 297059017 /nfs/dbraw/zinc/05/90/17/297059017.db2.gz WBZNHSBKVYKWRJ-LBELIVKGSA-N 0 0 318.439 0.744 10 0 DCAERN Cn1cc(N2CCC[C@@H](N3CCN(C(=O)C4CC4)C3)C2=O)cn1 ZINC000333486708 294245633 /nfs/dbraw/zinc/24/56/33/294245633.db2.gz GHWBPTHNVCGVMY-CQSZACIVSA-N 0 0 317.393 0.427 10 0 DCAERN Cn1cc(N2CC[C@@H]([N@@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)C2=O)cn1 ZINC000262143259 294252956 /nfs/dbraw/zinc/25/29/56/294252956.db2.gz MDSJKIFQGQWFBY-NORZTCDRSA-N 0 0 318.377 0.712 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@@H]2CCCc3n[nH]cc32)cn1 ZINC000181382310 294282191 /nfs/dbraw/zinc/28/21/91/294282191.db2.gz KKBCDLRGIFIPSH-DOMZBBRYSA-N 0 0 314.393 0.736 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[S@@]1=O ZINC000408424055 297074569 /nfs/dbraw/zinc/07/45/69/297074569.db2.gz BYNDQOKAGZXVAO-SMDDFHAHSA-N 0 0 310.423 0.368 10 0 DCAERN Cn1cncc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000329655164 294477823 /nfs/dbraw/zinc/47/78/23/294477823.db2.gz FRCCXYJCVCTCRH-CYBMUJFWSA-N 0 0 320.393 0.664 10 0 DCAERN Cn1nccc1[C@H]1[C@H](N[C@H]2CCNC2=O)CC(=O)N1C1CC1 ZINC000328952490 294625843 /nfs/dbraw/zinc/62/58/43/294625843.db2.gz CXDSYZFJHRKYBB-MISXGVKJSA-N 0 0 303.366 0.543 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000179687982 295159785 /nfs/dbraw/zinc/15/97/85/295159785.db2.gz BXLXDVKGKWDJOX-CQSZACIVSA-N 0 0 322.386 0.490 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000261996424 295392926 /nfs/dbraw/zinc/39/29/26/295392926.db2.gz PODNCPJXHULWJD-OLZOCXBDSA-N 0 0 303.362 0.447 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329170174 298014949 /nfs/dbraw/zinc/01/49/49/298014949.db2.gz JZIARGNAFOQMQS-FRRDWIJNSA-N 0 0 300.424 0.506 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2OCCc3ccccc32)[C@@H]1C(N)=O ZINC000285203708 300594216 /nfs/dbraw/zinc/59/42/16/300594216.db2.gz DVAADIZAWPIPFS-DDTOSNHZSA-N 0 0 304.346 0.402 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(C)s1 ZINC000179687474 301387556 /nfs/dbraw/zinc/38/75/56/301387556.db2.gz KXMTXKDNMCJUAA-SECBINFHSA-N 0 0 304.393 0.240 10 0 DCAERN Cc1ncc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c(C(C)C)n1 ZINC000177713312 302693342 /nfs/dbraw/zinc/69/33/42/302693342.db2.gz HAUKYJGBFIZVLV-BXKDBHETSA-N 0 0 306.366 0.623 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(F)(F)CO ZINC000184995824 302742181 /nfs/dbraw/zinc/74/21/81/302742181.db2.gz QWSLWQODNKTHJX-MRVPVSSYSA-N 0 0 304.341 0.895 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](N2C(=O)N[C@H](C)C2=O)CC(=O)N1C ZINC000330348097 302780593 /nfs/dbraw/zinc/78/05/93/302780593.db2.gz IJESBUAKMVIGQZ-ZDSQKVDBSA-N 0 0 319.365 0.453 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000195476157 302783021 /nfs/dbraw/zinc/78/30/21/302783021.db2.gz BHBLWJYBQSXHQB-POYBYMJQSA-N 0 0 320.802 0.185 10 0 DCAERN Cn1cc([C@@H]2CCCCN2C(=O)Cn2cccnc2=O)cn1 ZINC000333396758 302921854 /nfs/dbraw/zinc/92/18/54/302921854.db2.gz DTQXCYVWXQPURC-ZDUSSCGKSA-N 0 0 301.350 0.731 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000128598117 302935599 /nfs/dbraw/zinc/93/55/99/302935599.db2.gz PZJGHHRZACRBSD-CHWSQXEVSA-N 0 0 305.382 0.887 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccccc1C(N)=O ZINC000190996410 303034658 /nfs/dbraw/zinc/03/46/58/303034658.db2.gz XGQPHASLVIZSRO-ZDUSSCGKSA-N 0 0 313.361 0.820 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N1CCOC[C@@H]1C1CC1)c2O ZINC000119449038 303060078 /nfs/dbraw/zinc/06/00/78/303060078.db2.gz UHNZBEGXJQICOH-GFCCVEGCSA-N 0 0 302.334 0.925 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N[C@@H]2CCSC2)CC(=O)N1C ZINC000366421089 303092423 /nfs/dbraw/zinc/09/24/23/303092423.db2.gz NYVNXZDXCOGOPN-GBIKHYSHSA-N 0 0 308.407 0.561 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000284443777 303101132 /nfs/dbraw/zinc/10/11/32/303101132.db2.gz KBDOEPINXXZWHE-GXTWGEPZSA-N 0 0 314.345 0.719 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)cc1 ZINC000091784937 303333679 /nfs/dbraw/zinc/33/36/79/303333679.db2.gz JVEOMHZLVGPTKU-SNVBAGLBSA-N 0 0 313.151 0.775 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000285618610 303337777 /nfs/dbraw/zinc/33/77/77/303337777.db2.gz SDKCCSPDJXWIJM-IOASZLSFSA-N 0 0 306.337 0.768 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@]2(CCCCO2)C1 ZINC000369695210 303352534 /nfs/dbraw/zinc/35/25/34/303352534.db2.gz PYPVWGRBWDXODC-HNNXBMFYSA-N 0 0 304.350 0.751 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1)C1CC1 ZINC000251843351 303747512 /nfs/dbraw/zinc/74/75/12/303747512.db2.gz OIBIVHCMQSXCPY-MCIONIFRSA-N 0 0 307.394 0.864 10 0 DCAERN Cn1cc(NC(=O)Cc2cnc3ccccc3c2)c(=O)n(C)c1=O ZINC000188845375 333056858 /nfs/dbraw/zinc/05/68/58/333056858.db2.gz CQDZXJFFKQXZEO-UHFFFAOYSA-N 0 0 324.340 0.813 10 0 DCAERN Cc1ccc(CCNC(=O)c2cc3c(cn2)nc[nH]c3=O)cn1 ZINC000189414298 333084138 /nfs/dbraw/zinc/08/41/38/333084138.db2.gz SFLYZJFCLBUFGH-UHFFFAOYSA-N 0 0 309.329 0.994 10 0 DCAERN O=C(Cn1ncc2ccccc21)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000575181358 333275377 /nfs/dbraw/zinc/27/53/77/333275377.db2.gz OWDDYNRPWRUQHN-KGLIPLIRSA-N 0 0 303.362 0.798 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@@H]2CCCCS2(=O)=O)no1 ZINC000583063291 337234532 /nfs/dbraw/zinc/23/45/32/337234532.db2.gz NXEOUWGFSOGSCQ-VIFPVBQESA-N 0 0 315.395 0.951 10 0 DCAERN Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2CO)c1 ZINC000584654482 337377687 /nfs/dbraw/zinc/37/76/87/337377687.db2.gz KCZFRELOSRIWJI-AWEZNQCLSA-N 0 0 302.334 0.757 10 0 DCAERN COc1cc2c(ccnc2OC[C@H]2COC(=O)N2)cc1C(N)=O ZINC000584639813 337379848 /nfs/dbraw/zinc/37/98/48/337379848.db2.gz UHJQLTVEVMMQKS-VIFPVBQESA-N 0 0 317.301 0.830 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCOC1 ZINC000576622247 341855448 /nfs/dbraw/zinc/85/54/48/341855448.db2.gz HVUNQKHCTOUELZ-XQHKEYJVSA-N 0 0 308.378 0.308 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000576875937 341867579 /nfs/dbraw/zinc/86/75/79/341867579.db2.gz GXVGEDGUMSBCOT-KGLIPLIRSA-N 0 0 317.393 0.890 10 0 DCAERN Cc1nnc(CN(C)C[C@@H](O)CN2CCOCC2)n1C1CC1 ZINC000177351995 341918964 /nfs/dbraw/zinc/91/89/64/341918964.db2.gz SKICUFVJYUKUNY-CQSZACIVSA-N 0 0 309.414 0.046 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)N1CCOCC2(CC2)C1 ZINC000577945432 341953844 /nfs/dbraw/zinc/95/38/44/341953844.db2.gz ZZFOMVFTVRYMKM-MGPQQGTHSA-N 0 0 322.405 0.699 10 0 DCAERN COCCS(=O)(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000193943957 521762272 /nfs/dbraw/zinc/76/22/72/521762272.db2.gz LMFJZBFYWKUVDC-SNVBAGLBSA-N 0 0 306.409 0.801 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2ccc(F)cc2)CCN1CCO ZINC000187667360 533906310 /nfs/dbraw/zinc/90/63/10/533906310.db2.gz VVXUBXFFCDBOBZ-AWEZNQCLSA-N 0 0 323.412 0.783 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)CC1(CO)CC1 ZINC000189147733 534030346 /nfs/dbraw/zinc/03/03/46/534030346.db2.gz XATBXQRACKZCNF-SECBINFHSA-N 0 0 311.411 0.720 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000192550083 534040874 /nfs/dbraw/zinc/04/08/74/534040874.db2.gz HJMKFZZUPNULDD-WCQYABFASA-N 0 0 318.439 0.495 10 0 DCAERN Cc1ccn(CC(=O)N2CCC[C@H]2Cn2ccnn2)c(=O)c1 ZINC000299746445 534328109 /nfs/dbraw/zinc/32/81/09/534328109.db2.gz XKPISWAONAENOS-ZDUSSCGKSA-N 0 0 301.350 0.439 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000181388838 534343193 /nfs/dbraw/zinc/34/31/93/534343193.db2.gz NLADTSGNYZRGKW-DTORHVGOSA-N 0 0 304.372 0.164 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000186666799 519215818 /nfs/dbraw/zinc/21/58/18/519215818.db2.gz OCDDEBXATUDZOQ-JTQLQIEISA-N 0 0 319.365 0.307 10 0 DCAERN CC(=O)N(C)c1cccc(NS(=O)(=O)N2CCOCC2)c1 ZINC000268788766 519458080 /nfs/dbraw/zinc/45/80/80/519458080.db2.gz SVTSGGSKJRGBCV-UHFFFAOYSA-N 0 0 313.379 0.658 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000188431677 519487355 /nfs/dbraw/zinc/48/73/55/519487355.db2.gz YYERTUDVOZMZDD-OAHLLOKOSA-N 0 0 320.393 0.206 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2nc3ccccc3n2C)C1 ZINC000189732062 519648542 /nfs/dbraw/zinc/64/85/42/519648542.db2.gz MRTCZVUSRFXNOD-UHFFFAOYSA-N 0 0 301.350 0.603 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000191500601 519649144 /nfs/dbraw/zinc/64/91/44/519649144.db2.gz CTHWCGOKERENRO-INIZCTEOSA-N 0 0 317.389 0.234 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCc1nnc2n1CCCCC2 ZINC000153184183 519800855 /nfs/dbraw/zinc/80/08/55/519800855.db2.gz QKDUWMVKCFEMSO-LBPRGKRZSA-N 0 0 309.414 0.863 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000154489647 519823336 /nfs/dbraw/zinc/82/33/36/519823336.db2.gz FXFDLDDXHYLEMP-CQSZACIVSA-N 0 0 305.378 0.892 10 0 DCAERN CCCN1CCCN(C(=O)NCCc2nc(C)no2)CC1=O ZINC000190152805 519849157 /nfs/dbraw/zinc/84/91/57/519849157.db2.gz ABJVHFOKGGYYML-UHFFFAOYSA-N 0 0 309.370 0.574 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@@H](F)C[C@@H]2CO)C1 ZINC000372500847 519867918 /nfs/dbraw/zinc/86/79/18/519867918.db2.gz CQIDFRVRJUWSDF-RWMBFGLXSA-N 0 0 300.374 0.956 10 0 DCAERN CCNC(=O)c1ccc(N2CCC(F)(F)[C@@H](CO)C2)nn1 ZINC000359966740 519893186 /nfs/dbraw/zinc/89/31/86/519893186.db2.gz RBHAMACPWOIJDH-SECBINFHSA-N 0 0 300.309 0.680 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000187278122 520167091 /nfs/dbraw/zinc/16/70/91/520167091.db2.gz FCWWMPCSWXUXLL-IUODEOHRSA-N 0 0 318.377 0.196 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000187843243 520194191 /nfs/dbraw/zinc/19/41/91/520194191.db2.gz AGLBHAZUJPCPLL-NEPJUHHUSA-N 0 0 308.386 0.491 10 0 DCAERN CCCCN(C)C(=O)CS(=O)(=O)CC(=O)NC(C)(C)C ZINC000154446249 520372706 /nfs/dbraw/zinc/37/27/06/520372706.db2.gz ZHEUQKPAQWLRIX-UHFFFAOYSA-N 0 0 306.428 0.574 10 0 DCAERN CC1(C)CN(C(=O)Cn2cnc3c2ncnc3N)CCS1 ZINC000267677903 520432522 /nfs/dbraw/zinc/43/25/22/520432522.db2.gz MIGRHTNDGSEGGP-UHFFFAOYSA-N 0 0 306.395 0.763 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000189666987 520433000 /nfs/dbraw/zinc/43/30/00/520433000.db2.gz SKGQGPSXDCRZBI-RYUDHWBXSA-N 0 0 304.346 0.895 10 0 DCAERN CCc1cccc2c(CC(=O)NCCOCC(N)=O)c[nH]c21 ZINC000131257643 521791106 /nfs/dbraw/zinc/79/11/06/521791106.db2.gz ZJYLPXTVNVQUGV-UHFFFAOYSA-N 0 0 303.362 0.891 10 0 DCAERN CNC(=O)c1ccc(N2CCC(Cn3cccn3)CC2)nn1 ZINC000266865528 521830845 /nfs/dbraw/zinc/83/08/45/521830845.db2.gz YKOGCFMLLWABNR-UHFFFAOYSA-N 0 0 300.366 0.949 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CC2(CO)CC2)cc1 ZINC000188969423 521855773 /nfs/dbraw/zinc/85/57/73/521855773.db2.gz PWBBICITLCNKHI-UHFFFAOYSA-N 0 0 312.391 0.439 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1c1ncnc2nc[nH]c21)N1CCOCC1 ZINC000299740564 534600007 /nfs/dbraw/zinc/60/00/07/534600007.db2.gz AAPZBAIXTMQGNG-ZJUUUORDSA-N 0 0 320.328 0.129 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)NCc1ccnn1C ZINC000190771100 522015055 /nfs/dbraw/zinc/01/50/55/522015055.db2.gz KOGAUHSCYUQCCX-UHFFFAOYSA-N 0 0 316.361 0.864 10 0 DCAERN CCc1nnc([C@@H]2CN(Cc3c(C)nn(C)c3OC)CCO2)[nH]1 ZINC000129108567 522138258 /nfs/dbraw/zinc/13/82/58/522138258.db2.gz ISZMNYKMBGCYLO-LBPRGKRZSA-N 0 0 320.397 0.991 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCCn2cc(C)cn2)co1 ZINC000152357625 522265109 /nfs/dbraw/zinc/26/51/09/522265109.db2.gz MFUCIPBTEYCQFP-UHFFFAOYSA-N 0 0 312.351 0.123 10 0 DCAERN CN(CC(=O)NCC1(C)COC1)S(=O)(=O)c1ccccc1 ZINC000112617050 522470447 /nfs/dbraw/zinc/47/04/47/522470447.db2.gz HXKKABQKVFGQNS-UHFFFAOYSA-N 0 0 312.391 0.460 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000131268372 522556447 /nfs/dbraw/zinc/55/64/47/522556447.db2.gz LIHSYKNPTUPLTL-NSHDSACASA-N 0 0 314.817 0.911 10 0 DCAERN COC[C@H](NC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000124133608 522700955 /nfs/dbraw/zinc/70/09/55/522700955.db2.gz UQKKOJCLFVRVLL-LBPRGKRZSA-N 0 0 303.318 0.908 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)C1 ZINC000189199607 522762534 /nfs/dbraw/zinc/76/25/34/522762534.db2.gz JFZCKUZUABHJPK-SJCJKPOMSA-N 0 0 320.389 0.515 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000132101478 522986784 /nfs/dbraw/zinc/98/67/84/522986784.db2.gz YQUUNFQLHIRZPH-ZDUSSCGKSA-N 0 0 317.349 0.578 10 0 DCAERN CC[C@@H](O)CCNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000156828976 522987614 /nfs/dbraw/zinc/98/76/14/522987614.db2.gz BFJFWCHUWJSCAV-LLVKDONJSA-N 0 0 300.380 0.486 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)NCc3ccnn3C)CCO2)cn1 ZINC000191099679 523463571 /nfs/dbraw/zinc/46/35/71/523463571.db2.gz QMAFZBSQBMUYNW-AWEZNQCLSA-N 0 0 318.381 0.920 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)C3(C(=O)OC)CC3)CCO2)cn1 ZINC000191738998 523463988 /nfs/dbraw/zinc/46/39/88/523463988.db2.gz YFCCOMNDKXVNOS-LBPRGKRZSA-N 0 0 307.350 0.756 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CCn3cncn3)CCO2)cn1 ZINC000191743652 523464576 /nfs/dbraw/zinc/46/45/76/523464576.db2.gz OROYTSOJCVPPOX-ZDUSSCGKSA-N 0 0 304.354 0.485 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccnc3)[C@@H]2C1 ZINC000158074023 523708260 /nfs/dbraw/zinc/70/82/60/523708260.db2.gz SMWFNOFHARFZIO-OAGGEKHMSA-N 0 0 319.405 0.966 10 0 DCAERN O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(C2CC2)CC1 ZINC000299366320 534730376 /nfs/dbraw/zinc/73/03/76/534730376.db2.gz QCQXGBLWFDOKBF-UHFFFAOYSA-N 0 0 319.380 0.791 10 0 DCAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC(C)(C)C)C1=O ZINC000126833848 523747919 /nfs/dbraw/zinc/74/79/19/523747919.db2.gz RMEVTLJPPHZBHU-HNNXBMFYSA-N 0 0 321.381 0.492 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C)sc1C ZINC000226574034 523766208 /nfs/dbraw/zinc/76/62/08/523766208.db2.gz KWJREXALCVUVMQ-ZJUUUORDSA-N 0 0 319.404 0.662 10 0 DCAERN COCCN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@@H]1C ZINC000186016755 523859167 /nfs/dbraw/zinc/85/91/67/523859167.db2.gz IUXZSYURFNXIPE-LBPRGKRZSA-N 0 0 313.423 0.610 10 0 DCAERN COCCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190214254 523906334 /nfs/dbraw/zinc/90/63/34/523906334.db2.gz YMTKAKWGHSFUSB-CYBMUJFWSA-N 0 0 309.341 0.872 10 0 DCAERN CCc1ccc(CN2CCN(CC(=O)NC(N)=O)CC2)s1 ZINC000156817477 523927612 /nfs/dbraw/zinc/92/76/12/523927612.db2.gz SKZDCODQSYRIPM-UHFFFAOYSA-N 0 0 310.423 0.623 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(OCC(F)F)n2)C1 ZINC000124855508 523937803 /nfs/dbraw/zinc/93/78/03/523937803.db2.gz POBOYKMWTPDXSW-JTQLQIEISA-N 0 0 315.320 0.786 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666337 523938730 /nfs/dbraw/zinc/93/87/30/523938730.db2.gz NDCKUUQZBWNJTK-ZDUSSCGKSA-N 0 0 319.340 0.467 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C1=O ZINC000163824421 523984363 /nfs/dbraw/zinc/98/43/63/523984363.db2.gz XWSUGSFQQQZBFH-VHSXEESVSA-N 0 0 310.379 0.457 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1COC(=O)C1 ZINC000121523992 524009700 /nfs/dbraw/zinc/00/97/00/524009700.db2.gz AGQIHJLOXMOYTB-UONOGXRCSA-N 0 0 318.373 0.755 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1COC(=O)C1 ZINC000121523834 524014774 /nfs/dbraw/zinc/01/47/74/524014774.db2.gz AGQIHJLOXMOYTB-KGLIPLIRSA-N 0 0 318.373 0.755 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000131545697 524075122 /nfs/dbraw/zinc/07/51/22/524075122.db2.gz KTLHAWCZPBAXJL-VXGBXAGGSA-N 0 0 308.378 0.487 10 0 DCAERN C[C@@H](C(=O)N1CCCNC(=O)[C@@H]1C)n1nnnc1C(C)(C)C ZINC000365087605 524111290 /nfs/dbraw/zinc/11/12/90/524111290.db2.gz GHWFVOHLMOYYQD-UWVGGRQHSA-N 0 0 308.386 0.269 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC(C)(C)O1 ZINC000188626418 524526313 /nfs/dbraw/zinc/52/63/13/524526313.db2.gz KGORNHBNKSFVHL-VIFPVBQESA-N 0 0 302.334 0.958 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC2CC2)C1 ZINC000191903526 524568230 /nfs/dbraw/zinc/56/82/30/524568230.db2.gz NTKHURNJVBPWDV-CYBMUJFWSA-N 0 0 317.389 0.916 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC000156727332 524570288 /nfs/dbraw/zinc/57/02/88/524570288.db2.gz YRQAIODDRCEXRH-DGCLKSJQSA-N 0 0 305.378 0.915 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2ccco2)CCS1(=O)=O ZINC000155732010 524578538 /nfs/dbraw/zinc/57/85/38/524578538.db2.gz VPHQWPMSBSGXRP-NSHDSACASA-N 0 0 300.380 0.357 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)[C@@H](C)CO1 ZINC000246220636 524655488 /nfs/dbraw/zinc/65/54/88/524655488.db2.gz PYIWBMRUNPQPEL-RYUDHWBXSA-N 0 0 316.427 0.296 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000157187994 524656506 /nfs/dbraw/zinc/65/65/06/524656506.db2.gz CAKDZIDARVXESR-UZJPJQLHSA-N 0 0 309.391 0.555 10 0 DCAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(CO)CO)cc1 ZINC000183523841 524950871 /nfs/dbraw/zinc/95/08/71/524950871.db2.gz IDIAJVCSRVYHGQ-GXFFZTMASA-N 0 0 306.362 0.754 10 0 DCAERN Cc1cc(N2CCC(NC(=O)CC[S@@](C)=O)CC2)nc(C)n1 ZINC000156829780 525057913 /nfs/dbraw/zinc/05/79/13/525057913.db2.gz PWWGJZUDYZLJSF-QFIPXVFZSA-N 0 0 324.450 0.947 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000131187354 525144176 /nfs/dbraw/zinc/14/41/76/525144176.db2.gz YLFXUKWEKNVWOW-VXGBXAGGSA-N 0 0 303.362 0.976 10 0 DCAERN Cc1ccccc1CNC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421177 525160785 /nfs/dbraw/zinc/16/07/85/525160785.db2.gz JVBPRFWSTPBBOB-VNHYZAJKSA-N 0 0 319.405 0.574 10 0 DCAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648299 525255358 /nfs/dbraw/zinc/25/53/58/525255358.db2.gz NVTIMDIRUUTMBX-ZJUUUORDSA-N 0 0 309.370 0.622 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247007006 525256593 /nfs/dbraw/zinc/25/65/93/525256593.db2.gz IUGIIPMRJXVBFD-HOSYDEDBSA-N 0 0 307.350 0.558 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H](CO)C3)ccc2O1 ZINC000269758755 525522298 /nfs/dbraw/zinc/52/22/98/525522298.db2.gz BPOMPDIGLJGGMV-ZYHUDNBSSA-N 0 0 313.375 0.392 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000130261894 525573420 /nfs/dbraw/zinc/57/34/20/525573420.db2.gz PBSBCGUULDRXOE-ZFWWWQNUSA-N 0 0 321.425 0.815 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000162126638 525585356 /nfs/dbraw/zinc/58/53/56/525585356.db2.gz HQMUVIZKFCGQCG-NXEZZACHSA-N 0 0 318.420 0.586 10 0 DCAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)C2 ZINC000152175595 525596925 /nfs/dbraw/zinc/59/69/25/525596925.db2.gz KGMXFWVBCDZUSY-AAEUAGOBSA-N 0 0 302.330 0.528 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000165926271 525768270 /nfs/dbraw/zinc/76/82/70/525768270.db2.gz SJYSINJWRBCBAZ-OAHLLOKOSA-N 0 0 303.318 0.428 10 0 DCAERN COc1cccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1F ZINC000129699968 525789268 /nfs/dbraw/zinc/78/92/68/525789268.db2.gz RJCJTIBVNQUEPY-SNVBAGLBSA-N 0 0 306.293 0.854 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187978654 525804882 /nfs/dbraw/zinc/80/48/82/525804882.db2.gz OFFRYMGPTJROPJ-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000249971473 525903708 /nfs/dbraw/zinc/90/37/08/525903708.db2.gz KLNPWTIKPJDFAD-ILXRZTDVSA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000192044571 526208203 /nfs/dbraw/zinc/20/82/03/526208203.db2.gz WOYCBJKFUAUXJT-SNVBAGLBSA-N 0 0 319.365 0.093 10 0 DCAERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)N1CCCCC1=O ZINC000249159244 526244788 /nfs/dbraw/zinc/24/47/88/526244788.db2.gz YANFVUKDRXEQJJ-JHJVBQTASA-N 0 0 309.410 0.938 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)CC1=O ZINC000187452209 526293324 /nfs/dbraw/zinc/29/33/24/526293324.db2.gz LUJGUEVCDNQYDU-JTQLQIEISA-N 0 0 322.365 0.577 10 0 DCAERN Cc1csc([C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)n1 ZINC000156400631 526414779 /nfs/dbraw/zinc/41/47/79/526414779.db2.gz ILTJNDGILBICJV-WPRPVWTQSA-N 0 0 308.363 0.617 10 0 DCAERN O=C(CCOCC(F)F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191590054 526521023 /nfs/dbraw/zinc/52/10/23/526521023.db2.gz KOQWVHSRXQGYDM-LLVKDONJSA-N 0 0 303.309 0.782 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000330899669 526592905 /nfs/dbraw/zinc/59/29/05/526592905.db2.gz ABNPEJGFCABZNX-NHYWBVRUSA-N 0 0 314.382 0.206 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@@H]2c2nncn2C)n1 ZINC000119963168 526623859 /nfs/dbraw/zinc/62/38/59/526623859.db2.gz ZXFNGQSWEOOGTA-SNVBAGLBSA-N 0 0 306.326 0.387 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000174997151 526641423 /nfs/dbraw/zinc/64/14/23/526641423.db2.gz IJAUFYLOFZWAOS-CQSZACIVSA-N 0 0 317.389 0.909 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000176890314 526644524 /nfs/dbraw/zinc/64/45/24/526644524.db2.gz NYNDHYJPMXRGRO-KGLIPLIRSA-N 0 0 319.409 0.374 10 0 DCAERN Cc1nc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)[nH]c1C ZINC000156535761 526645143 /nfs/dbraw/zinc/64/51/43/526645143.db2.gz NTCVXCYSWNJKRO-GWCFXTLKSA-N 0 0 320.393 0.179 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000105903300 526660934 /nfs/dbraw/zinc/66/09/34/526660934.db2.gz UMNYMIDDGFOVKO-JSGCOSHPSA-N 0 0 312.414 0.843 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000330913085 526678333 /nfs/dbraw/zinc/67/83/33/526678333.db2.gz HEZXUDOTFSGUJA-SNVBAGLBSA-N 0 0 322.452 0.237 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000364828359 526791141 /nfs/dbraw/zinc/79/11/41/526791141.db2.gz FBQYEIKLUYVNCD-CQSZACIVSA-N 0 0 303.362 0.558 10 0 DCAERN O=C(NN1CCOCC1)c1cccc(OCC(F)(F)F)n1 ZINC000154931232 526843785 /nfs/dbraw/zinc/84/37/85/526843785.db2.gz ACCHBRINBREEAJ-UHFFFAOYSA-N 0 0 305.256 1.000 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000157031413 526866299 /nfs/dbraw/zinc/86/62/99/526866299.db2.gz KYUVRKUYLFBXSF-GFCCVEGCSA-N 0 0 317.267 0.337 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H](O)C1CCCCC1 ZINC000364837999 526921284 /nfs/dbraw/zinc/92/12/84/526921284.db2.gz BXXBTWSJYDBJSI-CABCVRRESA-N 0 0 324.421 0.824 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCOCC(F)F)c1 ZINC000190962205 527088607 /nfs/dbraw/zinc/08/86/07/527088607.db2.gz LAVOLHQCJOONCY-UHFFFAOYSA-N 0 0 308.306 0.346 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000154838101 527115564 /nfs/dbraw/zinc/11/55/64/527115564.db2.gz ADKXZVNCZOTKDY-QPUJVOFHSA-N 0 0 304.350 0.823 10 0 DCAERN CC(=O)c1cnccc1NC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000410734280 527182424 /nfs/dbraw/zinc/18/24/24/527182424.db2.gz SWTVTJXGYBNJMO-UHFFFAOYSA-N 0 0 314.345 0.795 10 0 DCAERN Cn1cc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)cn1 ZINC000104316454 527213043 /nfs/dbraw/zinc/21/30/43/527213043.db2.gz MIXHEGWKALCZNP-UHFFFAOYSA-N 0 0 317.740 0.979 10 0 DCAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1c[nH]c2ncccc12 ZINC000267605629 527238224 /nfs/dbraw/zinc/23/82/24/527238224.db2.gz GDOJHOZJLKLQHW-SNVBAGLBSA-N 0 0 318.362 0.968 10 0 DCAERN CC(=O)c1ccc(NC(=O)CCN2CCOC[C@@H](O)C2)cc1 ZINC000295639269 527297140 /nfs/dbraw/zinc/29/71/40/527297140.db2.gz PKHGRDJIZWTWNV-HNNXBMFYSA-N 0 0 306.362 0.911 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C[C@@H](O)CN1CCCC1=O ZINC000249265445 527412038 /nfs/dbraw/zinc/41/20/38/527412038.db2.gz ISDKCXHZZAEJBO-UKRRQHHQSA-N 0 0 307.394 0.382 10 0 DCAERN O=C(/C=C/c1cccc(O)c1)NC[C@H](O)CN1CCOCC1 ZINC000127419903 527628015 /nfs/dbraw/zinc/62/80/15/527628015.db2.gz HSTXAXODCBVLIX-RGDDUWESSA-N 0 0 306.362 0.215 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccnnc2)CC1 ZINC000131788132 527630383 /nfs/dbraw/zinc/63/03/83/527630383.db2.gz GPKAEKMFGICXET-UHFFFAOYSA-N 0 0 314.393 0.785 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCCNC(=O)[C@H]3C)cc12 ZINC000188921361 527684689 /nfs/dbraw/zinc/68/46/89/527684689.db2.gz QGCYGBUEHDSCFF-SNVBAGLBSA-N 0 0 301.350 0.627 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCCCc2ccccn2)C1=O ZINC000178597535 527785846 /nfs/dbraw/zinc/78/58/46/527785846.db2.gz YCUOZKNZLUQBGE-UHFFFAOYSA-N 0 0 304.350 0.461 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178410116 528007111 /nfs/dbraw/zinc/00/71/11/528007111.db2.gz XRVUZHVMTHNMNO-CYBMUJFWSA-N 0 0 314.430 0.705 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000188378739 528011062 /nfs/dbraw/zinc/01/10/62/528011062.db2.gz OCRJFRRFZYDZJE-CYBMUJFWSA-N 0 0 317.455 0.763 10 0 DCAERN CCNC(=O)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151801302 528101148 /nfs/dbraw/zinc/10/11/48/528101148.db2.gz YRJOPUNESKYLBC-UHFFFAOYSA-N 0 0 307.276 0.374 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000185039313 528128966 /nfs/dbraw/zinc/12/89/66/528128966.db2.gz ZUEXBYXLHWNMGK-UHFFFAOYSA-N 0 0 305.382 0.889 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000153331485 528616822 /nfs/dbraw/zinc/61/68/22/528616822.db2.gz MUADUVYBYWFOME-JTQLQIEISA-N 0 0 300.384 0.363 10 0 DCAERN CCC(CC)(CO)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000159214662 528706280 /nfs/dbraw/zinc/70/62/80/528706280.db2.gz CJXXZOZKIKFTTI-TXEJJXNPSA-N 0 0 308.444 0.729 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000299738687 528715765 /nfs/dbraw/zinc/71/57/65/528715765.db2.gz FGNAJVBSQFSGOW-SNVBAGLBSA-N 0 0 315.399 0.144 10 0 DCAERN CC(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000176431096 528949324 /nfs/dbraw/zinc/94/93/24/528949324.db2.gz GXDPZYJFEKXDRZ-MNOVXSKESA-N 0 0 316.427 0.495 10 0 DCAERN CCC1(CC)CN(C(=O)CN2CCCC2=O)CC[S@@]1=O ZINC000186773721 529064887 /nfs/dbraw/zinc/06/48/87/529064887.db2.gz UYXFAKYXWXFDLK-HXUWFJFHSA-N 0 0 300.424 0.759 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)S(C)(=O)=O)CC[S@@]1=O ZINC000186717438 529068888 /nfs/dbraw/zinc/06/88/88/529068888.db2.gz YEVOGPOAGQIAEI-MLCYQJTMSA-N 0 0 309.453 0.569 10 0 DCAERN CC[C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)N1CCCC1=O ZINC000162936753 529277972 /nfs/dbraw/zinc/27/79/72/529277972.db2.gz USVWTUXUPWKPDI-NSHDSACASA-N 0 0 316.423 0.423 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ncoc2C)CC12COC2 ZINC000454737630 535667839 /nfs/dbraw/zinc/66/78/39/535667839.db2.gz GBMBOAARSSCJOG-LLVKDONJSA-N 0 0 323.349 0.704 10 0 DCAERN CCN1C[C@H](NC(=O)NC[C@H](CO)c2ccccc2)CC1=O ZINC000459031201 535782543 /nfs/dbraw/zinc/78/25/43/535782543.db2.gz QEXXEWBDKMDPDI-ZIAGYGMSSA-N 0 0 305.378 0.683 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000285220738 536786758 /nfs/dbraw/zinc/78/67/58/536786758.db2.gz WXPBEODLYSOLJS-DTWKUNHWSA-N 0 0 306.771 0.505 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@@H](C)C(=O)NCCF)c1 ZINC000457785374 536882026 /nfs/dbraw/zinc/88/20/26/536882026.db2.gz ZUBIDRBTRNPRJM-JTQLQIEISA-N 0 0 310.325 0.986 10 0 DCAERN O=C([O-])[C@H](Cn1cc(I)cn1)[NH2+]C1CC1 ZINC000070678602 545660851 /nfs/dbraw/zinc/66/08/51/545660851.db2.gz JCDMLVDQDDWINX-QMMMGPOBSA-N 0 0 321.118 0.693 10 0 DCAERN O[C@@H](CSc1nnnn1C1CCCC1)CN1CCOCC1 ZINC000070869649 545663945 /nfs/dbraw/zinc/66/39/45/545663945.db2.gz MEBUOTIMVALZNT-GFCCVEGCSA-N 0 0 313.427 0.573 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCCOCC2)[C@@H]1c1cccnc1 ZINC000074535466 545669821 /nfs/dbraw/zinc/66/98/21/545669821.db2.gz BVOZNWKJAMPYNH-HIFRSBDPSA-N 0 0 303.362 0.850 10 0 DCAERN Cn1nnnc1CCNC(=O)c1ccccc1Br ZINC000082354037 545696122 /nfs/dbraw/zinc/69/61/22/545696122.db2.gz QCRUNRGJPXQTFZ-UHFFFAOYSA-N 0 0 310.155 0.945 10 0 DCAERN C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000083722737 545698292 /nfs/dbraw/zinc/69/82/92/545698292.db2.gz QHOKXXPAVFRGNI-CHWSQXEVSA-N 0 0 301.431 0.756 10 0 DCAERN O=C(Cc1cn2ccsc2n1)N[C@H]1CCc2ncnn2C1 ZINC000112725355 545735314 /nfs/dbraw/zinc/73/53/14/545735314.db2.gz NAVAXBVPYKADCO-VIFPVBQESA-N 0 0 302.363 0.661 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCC(=O)Nc2ccccc21 ZINC000121975654 545749129 /nfs/dbraw/zinc/74/91/29/545749129.db2.gz SWCIXBHRVVLSMJ-GFCCVEGCSA-N 0 0 303.362 0.819 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000121918082 545750235 /nfs/dbraw/zinc/75/02/35/545750235.db2.gz SQMCZHDYFLIDJW-UONOGXRCSA-N 0 0 318.439 0.292 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000132908169 545794516 /nfs/dbraw/zinc/79/45/16/545794516.db2.gz BQXRBBRBTBYKFZ-HIFRSBDPSA-N 0 0 314.426 0.581 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CO)CCCCC2)C[C@H](C)O1 ZINC000157663911 545853512 /nfs/dbraw/zinc/85/35/12/545853512.db2.gz XOGRSXUPDLECBF-BETUJISGSA-N 0 0 320.455 0.873 10 0 DCAERN O=C(CCNS(=O)(=O)c1cccs1)NC1(CO)CC1 ZINC000162150690 545869359 /nfs/dbraw/zinc/86/93/59/545869359.db2.gz VEUMAWJTPSRWAD-UHFFFAOYSA-N 0 0 304.393 0.058 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1C ZINC000173013659 545882703 /nfs/dbraw/zinc/88/27/03/545882703.db2.gz LENMLXBECLTVDE-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cn2c(C)nc3ccccc32)C1 ZINC000176103910 545887556 /nfs/dbraw/zinc/88/75/56/545887556.db2.gz PFCRFXGGISGJNR-UHFFFAOYSA-N 0 0 300.362 0.939 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000177940943 545893675 /nfs/dbraw/zinc/89/36/75/545893675.db2.gz YMALFUBBGDGMJJ-UHFFFAOYSA-N 0 0 316.365 0.553 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)n1 ZINC000178778131 545896915 /nfs/dbraw/zinc/89/69/15/545896915.db2.gz TXOYQKWWIHAJOO-LLVKDONJSA-N 0 0 307.398 0.855 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000182920584 545906351 /nfs/dbraw/zinc/90/63/51/545906351.db2.gz MYDRTDIKZOPWAT-CYBMUJFWSA-N 0 0 305.382 0.433 10 0 DCAERN CCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n[nH]1 ZINC000184465882 545911012 /nfs/dbraw/zinc/91/10/12/545911012.db2.gz QERJCQBKJVUBMV-UHFFFAOYSA-N 0 0 323.378 0.870 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(C(F)F)cc1 ZINC000184686195 545911110 /nfs/dbraw/zinc/91/11/10/545911110.db2.gz RHGRUCBEUPVFPR-UHFFFAOYSA-N 0 0 309.272 0.791 10 0 DCAERN C[C@H](Nc1cnn(CC2CC2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000186368372 545913190 /nfs/dbraw/zinc/91/31/90/545913190.db2.gz JCICAINCMYIUON-NSHDSACASA-N 0 0 319.409 0.831 10 0 DCAERN CC(C)OCCS(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189200041 545920617 /nfs/dbraw/zinc/92/06/17/545920617.db2.gz QHHPJUQVRWACHN-QWHCGFSZSA-N 0 0 317.411 0.595 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654332 545962097 /nfs/dbraw/zinc/96/20/97/545962097.db2.gz DDPPXTPXDGNEOC-VXGBXAGGSA-N 0 0 323.359 0.538 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)cn1 ZINC000249551259 545972088 /nfs/dbraw/zinc/97/20/88/545972088.db2.gz HZTMANDWWUXFCO-STQMWFEESA-N 0 0 322.409 0.793 10 0 DCAERN O=C1N[C@H](CF)C(=O)N1[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329457673 546050291 /nfs/dbraw/zinc/05/02/91/546050291.db2.gz QTLGKNFTHCHVNU-NXEZZACHSA-N 0 0 312.322 0.999 10 0 DCAERN c1cnn(-c2cncc(N3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000329739344 546055033 /nfs/dbraw/zinc/05/50/33/546055033.db2.gz NHWRNYOOTQRNOT-CYBMUJFWSA-N 0 0 300.366 0.573 10 0 DCAERN O=C(C[C@@H]1CCCS(=O)(=O)C1)NC[C@H]1CCCC[C@H]1O ZINC000332759034 546059139 /nfs/dbraw/zinc/05/91/39/546059139.db2.gz UCCZBLHZMHIICZ-YNEHKIRRSA-N 0 0 303.424 0.869 10 0 DCAERN C[C@@]12CN(C(=O)NCC(=O)N3CCOCC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333060547 546070718 /nfs/dbraw/zinc/07/07/18/546070718.db2.gz DSGDLMFYFJMARK-FHIRATQRSA-N 0 0 321.421 0.923 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333118821 546071691 /nfs/dbraw/zinc/07/16/91/546071691.db2.gz GGEUJBINXXNMHY-MROQNXINSA-N 0 0 300.424 0.963 10 0 DCAERN C[C@@H]1CCCc2nc(S(=O)(=O)N[C@@H]3CCCNC3=O)cn21 ZINC000333171599 546073577 /nfs/dbraw/zinc/07/35/77/546073577.db2.gz NVRCRHDPFZECGO-NXEZZACHSA-N 0 0 312.395 0.337 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333214627 546074267 /nfs/dbraw/zinc/07/42/67/546074267.db2.gz VGABJBSXXUEFLD-MROQNXINSA-N 0 0 300.424 0.961 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000333311650 546076989 /nfs/dbraw/zinc/07/69/89/546076989.db2.gz DYPKUULQERIIEO-CHWSQXEVSA-N 0 0 307.350 0.659 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000401878612 546226144 /nfs/dbraw/zinc/22/61/44/546226144.db2.gz GUAIALVHRNHPGC-ZDUSSCGKSA-N 0 0 303.355 0.988 10 0 DCAERN CNC(=O)C1(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CC1 ZINC000533185894 546289606 /nfs/dbraw/zinc/28/96/06/546289606.db2.gz LIRBCBFNPLRBPX-UHFFFAOYSA-N 0 0 300.322 0.255 10 0 DCAERN COc1nc(C)ccc1C(=O)N1C[C@@H](OC)[C@H](c2cn[nH]n2)C1 ZINC000622166297 546324344 /nfs/dbraw/zinc/32/43/44/546324344.db2.gz HPMZGGIYDFMABF-WCQYABFASA-N 0 0 317.349 0.771 10 0 DCAERN COCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008380997 661029957 /nfs/dbraw/zinc/02/99/57/661029957.db2.gz IIFMRTDPUMXZMA-KPKJPENVSA-N 0 0 324.402 0.778 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)cnn1-c1ccncc1 ZINC000888092918 661151420 /nfs/dbraw/zinc/15/14/20/661151420.db2.gz NEQCHCSEVCCDAR-IINYFYTJSA-N 0 0 313.361 0.973 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093813 661158016 /nfs/dbraw/zinc/15/80/16/661158016.db2.gz UWQDLSDNOBGPBV-QWHCGFSZSA-N 0 0 318.333 0.405 10 0 DCAERN Cc1noc(C)c1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094262 661159003 /nfs/dbraw/zinc/15/90/03/661159003.db2.gz GZUCQVPFOMSLBF-UONOGXRCSA-N 0 0 320.349 0.530 10 0 DCAERN Cc1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)cn1 ZINC000888094204 661160738 /nfs/dbraw/zinc/16/07/38/661160738.db2.gz FEGKYXQJTJFJGA-LSDHHAIUSA-N 0 0 316.361 0.629 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)N2CCOCC2)C1 ZINC000888102708 661182824 /nfs/dbraw/zinc/18/28/24/661182824.db2.gz HWCKYZVQVPENDK-KGLIPLIRSA-N 0 0 322.409 0.647 10 0 DCAERN COC(=O)c1cn(CN2CCC(c3nc(C)no3)CC2)nn1 ZINC000068966405 665456145 /nfs/dbraw/zinc/45/61/45/665456145.db2.gz DRMRLEWOABLUIL-UHFFFAOYSA-N 0 0 306.326 0.593 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2cccc(F)c2)CCC1 ZINC000721521618 657554355 /nfs/dbraw/zinc/55/43/55/657554355.db2.gz OKGMZOQYVLAJSE-UHFFFAOYSA-N 0 0 300.355 0.696 10 0 DCAERN COC(=O)c1cnc(NCC(C)(C)CS(C)(=O)=O)cn1 ZINC000723874454 657692443 /nfs/dbraw/zinc/69/24/43/657692443.db2.gz PJMMHHCESXPTBL-UHFFFAOYSA-N 0 0 301.368 0.746 10 0 DCAERN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@H](C)O)c1 ZINC000344874588 657918885 /nfs/dbraw/zinc/91/88/85/657918885.db2.gz CNRAQXIVRXHQJW-UWVGGRQHSA-N 0 0 301.364 0.829 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CCOC[C@@H]1CO ZINC000168673457 657964544 /nfs/dbraw/zinc/96/45/44/657964544.db2.gz CCIXDDAGQFADMG-NSHDSACASA-N 0 0 301.364 0.385 10 0 DCAERN COc1cc(Br)ccc1C(=O)NCCNC(N)=O ZINC000096731279 658018408 /nfs/dbraw/zinc/01/84/08/658018408.db2.gz AFKZJNFEQMEQFC-UHFFFAOYSA-N 0 0 316.155 0.856 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC000725121967 658194546 /nfs/dbraw/zinc/19/45/46/658194546.db2.gz KCKWLDUVTYCMDJ-QWRGUYRKSA-N 0 0 305.421 0.586 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@]2(C)CCCO2)c(=O)n(C)c1=O ZINC000255029208 658310520 /nfs/dbraw/zinc/31/05/20/658310520.db2.gz RVSABJMXUZRUMW-YVACAVLKSA-N 0 0 308.334 0.210 10 0 DCAERN O=C(CN1CCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160720135 658369593 /nfs/dbraw/zinc/36/95/93/658369593.db2.gz MLTADDRALAWSHX-UONOGXRCSA-N 0 0 310.394 0.605 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000191854122 658540835 /nfs/dbraw/zinc/54/08/35/658540835.db2.gz IBWCNBWGCNFLRO-QJPTWQEYSA-N 0 0 304.412 0.294 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2cnn(C)c2)C1=O ZINC000888076399 658713245 /nfs/dbraw/zinc/71/32/45/658713245.db2.gz GFQVWUKZEFFBTF-CYBMUJFWSA-N 0 0 308.382 0.406 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC(C)(CO)CO ZINC000255862795 658716846 /nfs/dbraw/zinc/71/68/46/658716846.db2.gz RHOXOKWQLSNSRH-GFCCVEGCSA-N 0 0 324.425 0.137 10 0 DCAERN C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCC1 ZINC000177280327 658729194 /nfs/dbraw/zinc/72/91/94/658729194.db2.gz DYORZLZAWVDGGG-VIFPVBQESA-N 0 0 317.345 0.978 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000888079270 658729756 /nfs/dbraw/zinc/72/97/56/658729756.db2.gz QRIBGTWNEDFEFE-GHMZBOCLSA-N 0 0 321.381 0.502 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(C)C ZINC000178715380 658780274 /nfs/dbraw/zinc/78/02/74/658780274.db2.gz HYFMEWQZADUYQV-QWHCGFSZSA-N 0 0 304.346 0.655 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C(C)(C)O)CC1 ZINC000394016790 659082675 /nfs/dbraw/zinc/08/26/75/659082675.db2.gz BQEAPQCUWLNFQU-SNVBAGLBSA-N 0 0 306.428 0.324 10 0 DCAERN O=C(OCCc1cnccn1)[C@H]1COCCN1CC(F)F ZINC000194901837 659521873 /nfs/dbraw/zinc/52/18/73/659521873.db2.gz DJPNHXBKIOKMGB-LLVKDONJSA-N 0 0 301.293 0.528 10 0 DCAERN O=C(c1cc(Br)ccc1O)N1CCOC[C@H]1CO ZINC000236515528 661372419 /nfs/dbraw/zinc/37/24/19/661372419.db2.gz ZRTHSEXUQBSGCX-SECBINFHSA-N 0 0 316.151 0.988 10 0 DCAERN CCCC(=O)NCC(=O)NCCc1n[nH]c(=S)n1C1CC1 ZINC000067079444 661436610 /nfs/dbraw/zinc/43/66/10/661436610.db2.gz AUIKRTGYXYXTNA-UHFFFAOYSA-N 0 0 311.411 0.851 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(CO)CCC2)[C@H]1c1cccnc1 ZINC000182301273 665775913 /nfs/dbraw/zinc/77/59/13/665775913.db2.gz GMEGHEFQIMKMKC-UKRRQHHQSA-N 0 0 317.389 0.880 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000049084765 662034356 /nfs/dbraw/zinc/03/43/56/662034356.db2.gz NJVOBFCTNKHQBV-CQSZACIVSA-N 0 0 304.346 0.857 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)c1c(Br)nnn1C ZINC000310427890 662064935 /nfs/dbraw/zinc/06/49/35/662064935.db2.gz PMCPGIVBRMHQCQ-ZETCQYMHSA-N 0 0 303.160 0.829 10 0 DCAERN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CSC(=O)N1 ZINC000098018142 662268022 /nfs/dbraw/zinc/26/80/22/662268022.db2.gz WDCBGAAMYOROTF-UWVGGRQHSA-N 0 0 316.379 0.382 10 0 DCAERN COc1ccccc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262972387 662608627 /nfs/dbraw/zinc/60/86/27/662608627.db2.gz RZPRGQZQZRAVPW-GFCCVEGCSA-N 0 0 322.361 0.553 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](O)c2ccccc2)C1 ZINC000263406148 662685765 /nfs/dbraw/zinc/68/57/65/662685765.db2.gz HVVRKVPTVPJRMW-PIMMBPRGSA-N 0 0 306.362 0.774 10 0 DCAERN Cn1cc([C@@H]2CCCN(C(=O)c3cccn4nnnc34)C2)cn1 ZINC000897434907 662711045 /nfs/dbraw/zinc/71/10/45/662711045.db2.gz BGNSWLCUSXJGDT-LLVKDONJSA-N 0 0 311.349 0.878 10 0 DCAERN O=C(CO)NNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000182756798 665904162 /nfs/dbraw/zinc/90/41/62/665904162.db2.gz OOIJEBRAFGCPMS-UHFFFAOYSA-N 0 0 312.123 0.684 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000343568590 662843576 /nfs/dbraw/zinc/84/35/76/662843576.db2.gz AFQKOHJTYWXOBC-PSASIEDQSA-N 0 0 302.396 0.754 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000729448863 662888737 /nfs/dbraw/zinc/88/87/37/662888737.db2.gz DPDLOZACRMVVOY-NTZNESFSSA-N 0 0 315.439 0.133 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cc1nnc(-c2ccccc2)n1C ZINC000739580591 662893760 /nfs/dbraw/zinc/89/37/60/662893760.db2.gz RDRGOVAOLIYTMM-JOCHJYFZSA-N 0 0 320.418 0.909 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](CO)COC(C)C ZINC000432625999 662915675 /nfs/dbraw/zinc/91/56/75/662915675.db2.gz DZUSRXVPQWZPAA-VXGBXAGGSA-N 0 0 304.412 0.152 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)[C@@H](C)O ZINC000344879279 663079710 /nfs/dbraw/zinc/07/97/10/663079710.db2.gz JGSGTRITCUCNOO-HTQZYQBOSA-N 0 0 307.393 0.891 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1OC ZINC000344913372 663080668 /nfs/dbraw/zinc/08/06/68/663080668.db2.gz GSNYWXBZMNGUKW-HTQZYQBOSA-N 0 0 307.343 0.891 10 0 DCAERN CN(C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O)[C@H]1CCN(C)C1=O ZINC000900782213 663279823 /nfs/dbraw/zinc/27/98/23/663279823.db2.gz JFMLEJSPYCUKGF-YATPEIPISA-N 0 0 310.419 0.634 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000900869793 663291609 /nfs/dbraw/zinc/29/16/09/663291609.db2.gz GJHSCPGQWXHZPC-OCCSQVGLSA-N 0 0 306.362 0.565 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900958354 663297652 /nfs/dbraw/zinc/29/76/52/663297652.db2.gz HRJYGLBFEFQRDE-FMKGYKFTSA-N 0 0 308.382 0.765 10 0 DCAERN COC(=O)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000906585822 663621949 /nfs/dbraw/zinc/62/19/49/663621949.db2.gz CXLMNLAGSAIHCH-AWEZNQCLSA-N 0 0 306.362 0.427 10 0 DCAERN O=C(Cc1ccc(O)c(F)c1)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909185716 663784501 /nfs/dbraw/zinc/78/45/01/663784501.db2.gz BXXFLJDABFVBPF-OSAQELSMSA-N 0 0 305.309 0.761 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@H]1OCCc2ccccc21 ZINC000909165155 663785100 /nfs/dbraw/zinc/78/51/00/663785100.db2.gz BWQBBZXFAIKCLT-QXSJWSMHSA-N 0 0 313.357 0.988 10 0 DCAERN CCOC1(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)CCOCC1 ZINC000909190838 663786099 /nfs/dbraw/zinc/78/60/99/663786099.db2.gz PYBMPRQOJNYULX-JHJVBQTASA-N 0 0 309.366 0.259 10 0 DCAERN Cc1ccc(C(=O)N2CCOC[C@@H]2CO)cc1S(C)(=O)=O ZINC000912422349 664174322 /nfs/dbraw/zinc/17/43/22/664174322.db2.gz OYKAYBHODPUSOC-LBPRGKRZSA-N 0 0 313.375 0.232 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCOC[C@@H]1CO ZINC000912428286 664175426 /nfs/dbraw/zinc/17/54/26/664175426.db2.gz WEYBTAJXCXKTRZ-NEPJUHHUSA-N 0 0 322.336 0.398 10 0 DCAERN C[C@H](NC(=O)[C@@H]1OCC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000156075674 664191058 /nfs/dbraw/zinc/19/10/58/664191058.db2.gz MXFGWZWZQSEFRR-OUJBWJOFSA-N 0 0 312.391 0.936 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NC[C@@](C)(O)CCC(C)C ZINC000151413957 664330434 /nfs/dbraw/zinc/33/04/34/664330434.db2.gz GDFMRGVIHMPOON-ZDUSSCGKSA-N 0 0 308.444 0.908 10 0 DCAERN CC(C)CNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000157480306 664476430 /nfs/dbraw/zinc/47/64/30/664476430.db2.gz PGZAVEMTKOWRNT-SNVBAGLBSA-N 0 0 309.391 0.886 10 0 DCAERN C[C@@H](C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C)S(C)(=O)=O ZINC000168768810 664531509 /nfs/dbraw/zinc/53/15/09/664531509.db2.gz AVXMJNLYDCOKJK-UWVGGRQHSA-N 0 0 310.375 0.789 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000059693298 664531609 /nfs/dbraw/zinc/53/16/09/664531609.db2.gz FVHYBMMFEJNKKQ-GHMZBOCLSA-N 0 0 309.309 0.953 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683622 664586392 /nfs/dbraw/zinc/58/63/92/664586392.db2.gz IYONSUGKXNTDEC-LBPRGKRZSA-N 0 0 301.350 0.328 10 0 DCAERN CC(C)n1nnnc1CN1C(=O)c2ccccc2CS1(=O)=O ZINC000171020342 664600183 /nfs/dbraw/zinc/60/01/83/664600183.db2.gz ZRLSQIUUULMSSL-UHFFFAOYSA-N 0 0 321.362 0.740 10 0 DCAERN COc1ccc(CCNC(=O)[C@H]2COC(=O)N2C)cc1OC ZINC000062632724 664622160 /nfs/dbraw/zinc/62/21/60/664622160.db2.gz NACHFWDTZQECPS-LLVKDONJSA-N 0 0 308.334 0.813 10 0 DCAERN COc1ccc2c(c1)N(CN1CC[N@@H+]3CCC[C@@H]3C1)C(=O)C2=O ZINC000172502595 664622245 /nfs/dbraw/zinc/62/22/45/664622245.db2.gz IWAPOOSQNYPVSD-GFCCVEGCSA-N 0 0 315.373 0.962 10 0 DCAERN CCn1cnc(S(=O)(=O)NC[C@H](O)c2ccsc2)c1 ZINC000230723230 664623911 /nfs/dbraw/zinc/62/39/11/664623911.db2.gz WKVNTOZGGBFMNP-JTQLQIEISA-N 0 0 301.393 0.976 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000172961989 664625925 /nfs/dbraw/zinc/62/59/25/664625925.db2.gz DEDFHCRAAYWMGZ-SOUVJXGZSA-N 0 0 319.405 0.302 10 0 DCAERN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000174606415 664640632 /nfs/dbraw/zinc/64/06/32/664640632.db2.gz ONOQAQKFBLOIIY-KBPBESRZSA-N 0 0 316.357 0.714 10 0 DCAERN CNC(=O)CN(C)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730273541 664673655 /nfs/dbraw/zinc/67/36/55/664673655.db2.gz XHYCXEDLXPULDW-UHFFFAOYSA-N 0 0 319.361 0.397 10 0 DCAERN CN(C)c1ncccc1CNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000151547339 664680656 /nfs/dbraw/zinc/68/06/56/664680656.db2.gz SAUOEQMUYVTOAK-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN C[C@@H]1CN(Cn2nc(C(C)(C)C)[nH]c2=S)CCS1(=O)=O ZINC000151598566 664708252 /nfs/dbraw/zinc/70/82/52/664708252.db2.gz JZHMOKAZZPVAAG-SECBINFHSA-N 0 0 318.468 0.941 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730639518 664798985 /nfs/dbraw/zinc/79/89/85/664798985.db2.gz UMRUTMIROSSRIM-SNVBAGLBSA-N 0 0 318.333 0.814 10 0 DCAERN CCCCCCOCC(=O)OCc1cc(=O)n(C)c(=O)n1C ZINC000730857324 664820959 /nfs/dbraw/zinc/82/09/59/664820959.db2.gz AUILUHIGYSZUNV-UHFFFAOYSA-N 0 0 312.366 0.724 10 0 DCAERN O=C1CNC(=O)N1CCCNC(=S)NCc1ccccc1 ZINC000730952298 664828799 /nfs/dbraw/zinc/82/87/99/664828799.db2.gz ZYTUYRUJJSBNPD-UHFFFAOYSA-N 0 0 306.391 0.593 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C ZINC000732100874 664903776 /nfs/dbraw/zinc/90/37/76/664903776.db2.gz WCZWPIWENPPSPT-AWEZNQCLSA-N 0 0 318.377 0.254 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C ZINC000732100876 664903922 /nfs/dbraw/zinc/90/39/22/664903922.db2.gz WCZWPIWENPPSPT-CQSZACIVSA-N 0 0 318.377 0.254 10 0 DCAERN C=CC(=O)NCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000732659179 664950152 /nfs/dbraw/zinc/95/01/52/664950152.db2.gz UZFXBINFQXCWCH-UHFFFAOYSA-N 0 0 305.363 0.576 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000354136221 666152908 /nfs/dbraw/zinc/15/29/08/666152908.db2.gz HNYQDXNNKWXISY-STQMWFEESA-N 0 0 316.423 0.467 10 0 DCAERN C[C@@H]1CC(OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)O1 ZINC000184322704 666196552 /nfs/dbraw/zinc/19/65/52/666196552.db2.gz BCXXJBBEPFCAOM-XIJCSBCJSA-N 0 0 322.361 0.596 10 0 DCAERN C[C@H]1OCC[C@H]1OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000184705534 666260916 /nfs/dbraw/zinc/26/09/16/666260916.db2.gz GAUGMHBRSLYUPH-ZIAGYGMSSA-N 0 0 305.378 0.924 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC000447715889 666358847 /nfs/dbraw/zinc/35/88/47/666358847.db2.gz ABUPIHCRAHJFHA-JSGCOSHPSA-N 0 0 306.387 0.858 10 0 DCAERN C[C@H]1CN=C(N2CCN(Cc3nc(N(C)C)no3)CC2)S1 ZINC000185276170 666396300 /nfs/dbraw/zinc/39/63/00/666396300.db2.gz QFANKWMJYYQVSJ-JTQLQIEISA-N 0 0 310.427 0.745 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCCCN1CCCC1=O ZINC000733487517 666748901 /nfs/dbraw/zinc/74/89/01/666748901.db2.gz CQRLGKPQQZRLGW-LLVKDONJSA-N 0 0 300.380 0.464 10 0 DCAERN COC(=O)NCCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000733545219 666758821 /nfs/dbraw/zinc/75/88/21/666758821.db2.gz NDZLMIJEYRCTEX-UHFFFAOYSA-N 0 0 324.289 0.643 10 0 DCAERN O=C(c1cc(Br)cnc1F)N1CCOC[C@H]1CO ZINC000700847653 666773769 /nfs/dbraw/zinc/77/37/69/666773769.db2.gz HESYCVQILFXXNG-MRVPVSSYSA-N 0 0 319.130 0.817 10 0 DCAERN C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCC1=O ZINC000701202316 666818412 /nfs/dbraw/zinc/81/84/12/666818412.db2.gz WCJBGVSPPKBJEU-NXEZZACHSA-N 0 0 305.421 0.344 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000733882564 666823794 /nfs/dbraw/zinc/82/37/94/666823794.db2.gz OBGHMJWJILUGSD-OAQYLSRUSA-N 0 0 309.391 0.225 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000733883258 666824158 /nfs/dbraw/zinc/82/41/58/666824158.db2.gz YHZNWPLSYAGBBJ-SFHVURJKSA-N 0 0 303.405 0.589 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000733883322 666824177 /nfs/dbraw/zinc/82/41/77/666824177.db2.gz ZIGUCWAWSADGLI-YBYGRFCBSA-N 0 0 317.436 0.732 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000733958996 666832275 /nfs/dbraw/zinc/83/22/75/666832275.db2.gz CWSKEVBAGANUBN-GIPWTMENSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000733963138 666832633 /nfs/dbraw/zinc/83/26/33/666832633.db2.gz QLVJNRXQRXOTDP-QFIPXVFZSA-N 0 0 322.386 0.476 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NCC[S@@](=O)CC ZINC000733963689 666832635 /nfs/dbraw/zinc/83/26/35/666832635.db2.gz HCLNZNBPAJAUIS-OVWNDWIMSA-N 0 0 306.453 0.573 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000733963128 666832797 /nfs/dbraw/zinc/83/27/97/666832797.db2.gz URODXMDTGBBHDJ-JOCHJYFZSA-N 0 0 319.386 0.940 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000733965728 666833133 /nfs/dbraw/zinc/83/31/33/666833133.db2.gz IJSBFDJVDTWPLG-PRWKNARSSA-N 0 0 300.424 0.662 10 0 DCAERN CCc1nnc(CN[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000701637523 666861596 /nfs/dbraw/zinc/86/15/96/666861596.db2.gz NNLMSKXUUIUALZ-VIFPVBQESA-N 0 0 304.441 0.614 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC[S@@](C)=O ZINC000735052873 666944199 /nfs/dbraw/zinc/94/41/99/666944199.db2.gz PBWFLYHCZNSXJS-JOCHJYFZSA-N 0 0 322.390 0.660 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000735097935 666951709 /nfs/dbraw/zinc/95/17/09/666951709.db2.gz WQLJUCHUNLBJQU-VERVWZFWSA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000735100951 666952345 /nfs/dbraw/zinc/95/23/45/666952345.db2.gz NCCDHGNQUZUQLQ-OAQYLSRUSA-N 0 0 317.455 0.703 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000735116562 666956028 /nfs/dbraw/zinc/95/60/28/666956028.db2.gz PFWUFCQCAPMKHB-OAQYLSRUSA-N 0 0 318.345 0.579 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCCC2(CC2)CC1 ZINC000702491389 666960679 /nfs/dbraw/zinc/96/06/79/666960679.db2.gz LUDDNASMVXWCDO-LBPRGKRZSA-N 0 0 300.424 0.556 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C)cc1F ZINC000735199158 666966206 /nfs/dbraw/zinc/96/62/06/666966206.db2.gz KRANCLHGPOVNEN-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(OC)cc1C ZINC000735201014 666968212 /nfs/dbraw/zinc/96/82/12/666968212.db2.gz OPXMTGVDUSCXJM-NRFANRHFSA-N 0 0 312.391 0.827 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(F)ccc1F ZINC000735202067 666968221 /nfs/dbraw/zinc/96/82/21/666968221.db2.gz YRLYPYTWAOWVNT-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC000702812136 666998832 /nfs/dbraw/zinc/99/88/32/666998832.db2.gz CLEMELIKHRFWSU-TUAOUCFPSA-N 0 0 314.382 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C(C)(F)F)[C@H](O)C1 ZINC000702811848 666999162 /nfs/dbraw/zinc/99/91/62/666999162.db2.gz IASCJVXQXIABKG-RKDXNWHRSA-N 0 0 308.325 0.986 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(Cl)n1 ZINC000703122447 667060821 /nfs/dbraw/zinc/06/08/21/667060821.db2.gz WESYZAJCBMYESQ-VIFPVBQESA-N 0 0 317.798 0.807 10 0 DCAERN C[C@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncn(C)n1 ZINC000391898832 1157723211 /nfs/dbraw/zinc/72/32/11/1157723211.db2.gz GDDYHIPXVFTODA-QWRGUYRKSA-N 0 0 301.416 0.137 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000736658665 667213417 /nfs/dbraw/zinc/21/34/17/667213417.db2.gz DSMUXPKPXIAVKT-HTGLOVNISA-N 0 0 305.444 0.163 10 0 DCAERN C[C@@H]1CN(Cn2nccc2-c2cccnc2)C[C@@H](C(N)=O)O1 ZINC000120213405 667280727 /nfs/dbraw/zinc/28/07/27/667280727.db2.gz WWUBSKZBZYEXQP-RISCZKNCSA-N 0 0 301.350 0.477 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(O)CCCC1(C)C ZINC000355816946 667323317 /nfs/dbraw/zinc/32/33/17/667323317.db2.gz UWRJDKBBBOJOAH-BXUZGUMPSA-N 0 0 300.424 0.965 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)NCCn1cc(C)cn1 ZINC000121180412 667387872 /nfs/dbraw/zinc/38/78/72/667387872.db2.gz JBVYRDYMVGRMRQ-UHFFFAOYSA-N 0 0 302.400 0.268 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)nc1 ZINC000706798364 667423654 /nfs/dbraw/zinc/42/36/54/667423654.db2.gz BLGZCFALEZRRAJ-BDAKNGLRSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CC=CCC1 ZINC000706834915 667425622 /nfs/dbraw/zinc/42/56/22/667425622.db2.gz DBIWGJBCMZBRCR-OLZOCXBDSA-N 0 0 300.424 0.626 10 0 DCAERN CC1(C)CC(=O)NCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000708099737 667442006 /nfs/dbraw/zinc/44/20/06/667442006.db2.gz IXHDQAZNAGIICQ-JTQLQIEISA-N 0 0 302.396 0.081 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708242051 667442523 /nfs/dbraw/zinc/44/25/23/667442523.db2.gz VQYGEFTVZYTJSF-UHFFFAOYSA-N 0 0 304.412 0.628 10 0 DCAERN CC(C)N1CC[C@H](NS(=O)(=O)C2CCC(=O)CC2)C1=O ZINC000709103065 667444111 /nfs/dbraw/zinc/44/41/11/667444111.db2.gz LIXQTXWHOBRPTK-LBPRGKRZSA-N 0 0 302.396 0.427 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000711090321 667448942 /nfs/dbraw/zinc/44/89/42/667448942.db2.gz MSXNKOPYVMELNH-SSDOTTSWSA-N 0 0 316.770 0.482 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc(Br)c1 ZINC000711184874 667452315 /nfs/dbraw/zinc/45/23/15/667452315.db2.gz IVNRHWYXZBFBCZ-ZETCQYMHSA-N 0 0 321.196 0.943 10 0 DCAERN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1nc(Br)c[nH]1 ZINC000711679761 667528725 /nfs/dbraw/zinc/52/87/25/667528725.db2.gz HVKPOKNAELYUJH-RQJHMYQMSA-N 0 0 308.201 0.695 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000134702172 667551089 /nfs/dbraw/zinc/55/10/89/667551089.db2.gz RYPCTNDGGUSVJE-SECBINFHSA-N 0 0 322.818 0.073 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc2ncccc21 ZINC000187225547 667613208 /nfs/dbraw/zinc/61/32/08/667613208.db2.gz OAIJSIMMDQHYDH-QMTHXVAHSA-N 0 0 300.314 0.983 10 0 DCAERN CCN(CC(=O)OC)Cn1cc(I)cn1 ZINC000738039865 667650212 /nfs/dbraw/zinc/65/02/12/667650212.db2.gz HUTHTFKHGCWAMY-UHFFFAOYSA-N 0 0 323.134 0.940 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)c1ccnc(-n2cncn2)c1 ZINC000738629249 667679490 /nfs/dbraw/zinc/67/94/90/667679490.db2.gz TZEAXCWWIBMYMX-UHFFFAOYSA-N 0 0 315.333 0.688 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc2nccn2c1 ZINC000738950539 667688649 /nfs/dbraw/zinc/68/86/49/667688649.db2.gz GSYBUAVQJFKBPU-UHFFFAOYSA-N 0 0 317.349 0.657 10 0 DCAERN COCCN(Cn1nc(C(=O)OC)ccc1=O)C1CCCC1 ZINC000739844315 667721408 /nfs/dbraw/zinc/72/14/08/667721408.db2.gz CWHFNKYNMFOODI-UHFFFAOYSA-N 0 0 309.366 0.878 10 0 DCAERN COc1ccccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026746 667725508 /nfs/dbraw/zinc/72/55/08/667725508.db2.gz TWQBEPFWUMMPRW-QGZVFWFLSA-N 0 0 319.405 0.457 10 0 DCAERN CC(C)n1ncnc1CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071895 667728334 /nfs/dbraw/zinc/72/83/34/667728334.db2.gz OWTMOECFEZJFJE-OAHLLOKOSA-N 0 0 323.397 0.220 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1cnc(C2CC2)o1 ZINC000886078135 667729450 /nfs/dbraw/zinc/72/94/50/667729450.db2.gz NDLMOCBSAIJYOR-GFCCVEGCSA-N 0 0 307.350 0.542 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cnnn1C ZINC000886081999 667730287 /nfs/dbraw/zinc/73/02/87/667730287.db2.gz QZAPABWFKXXZHZ-RISCZKNCSA-N 0 0 318.381 0.673 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2nccn2C)C1=O ZINC000886088363 667731041 /nfs/dbraw/zinc/73/10/41/667731041.db2.gz PTLSVQRULOWJFH-LBPRGKRZSA-N 0 0 308.382 0.406 10 0 DCAERN Cc1cnc(N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)nc1C ZINC000886094870 667731421 /nfs/dbraw/zinc/73/14/21/667731421.db2.gz FSRHNPCWXUQLJN-HNNXBMFYSA-N 0 0 306.366 0.459 10 0 DCAERN COc1ncc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)s1 ZINC000717381562 667735864 /nfs/dbraw/zinc/73/58/64/667735864.db2.gz ZDAXSEHTJUMKMP-YFKPBYRVSA-N 0 0 320.314 0.743 10 0 DCAERN CCOC(=O)N1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000741419977 667770450 /nfs/dbraw/zinc/77/04/50/667770450.db2.gz GKFLFLAGMPTXGQ-FQEVSTJZSA-N 0 0 305.400 0.239 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H](CO)c1ccccc1OC ZINC000741422379 667771024 /nfs/dbraw/zinc/77/10/24/667771024.db2.gz HMOINPJRYHZUJG-LAJNKCICSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000742658062 667796242 /nfs/dbraw/zinc/79/62/42/667796242.db2.gz KFIIORODQPXGNQ-RKFFSXRUSA-N 0 0 321.406 0.786 10 0 DCAERN Cc1nccc(CCC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)n1 ZINC000887000051 667831141 /nfs/dbraw/zinc/83/11/41/667831141.db2.gz XIZQQOAGNNTYIF-ZIAGYGMSSA-N 0 0 305.378 0.764 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000125828430 668430384 /nfs/dbraw/zinc/43/03/84/668430384.db2.gz GTZABCZDMZVKJX-UHFFFAOYSA-N 0 0 323.437 0.568 10 0 DCAERN CC(C)n1nccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126435127 668582133 /nfs/dbraw/zinc/58/21/33/668582133.db2.gz VPAVLDYZAJICLD-SNVBAGLBSA-N 0 0 300.384 0.179 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126459834 668599086 /nfs/dbraw/zinc/59/90/86/668599086.db2.gz UDAJGJXPADLEHM-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN COC(=O)c1cn(CN2CCC(N3CCCCC3=O)CC2)nn1 ZINC000126602551 668632591 /nfs/dbraw/zinc/63/25/91/668632591.db2.gz NMRCHEVYMLQTQH-UHFFFAOYSA-N 0 0 321.381 0.499 10 0 DCAERN Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126674288 668639634 /nfs/dbraw/zinc/63/96/34/668639634.db2.gz RMLVPDOLEMDUBT-QWHCGFSZSA-N 0 0 310.419 0.949 10 0 DCAERN Cc1ccccc1[C@@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126674093 668640002 /nfs/dbraw/zinc/64/00/02/668640002.db2.gz RMLVPDOLEMDUBT-CHWSQXEVSA-N 0 0 310.419 0.949 10 0 DCAERN CC1(C)CCC(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126790907 668658818 /nfs/dbraw/zinc/65/88/18/668658818.db2.gz YUHIBRKSMOUXKK-GFCCVEGCSA-N 0 0 302.440 0.848 10 0 DCAERN O=c1n(CN2CCC(Cn3cccn3)CC2)nc2cnccn21 ZINC000133045583 669775086 /nfs/dbraw/zinc/77/50/86/669775086.db2.gz MZGYAXCUIUQBNJ-UHFFFAOYSA-N 0 0 313.365 0.457 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 ZINC000040808935 669821968 /nfs/dbraw/zinc/82/19/68/669821968.db2.gz LPJBYZLVFGWBHL-SNVBAGLBSA-N 0 0 309.347 0.836 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cn1 ZINC000156140082 669838183 /nfs/dbraw/zinc/83/81/83/669838183.db2.gz KNUYTWNKAKIZPG-UHFFFAOYSA-N 0 0 305.382 0.538 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)c1cccs1 ZINC000156454118 669840415 /nfs/dbraw/zinc/84/04/15/669840415.db2.gz QIJUNDMHDVLXDY-GXFFZTMASA-N 0 0 314.432 0.993 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000158916531 669930810 /nfs/dbraw/zinc/93/08/10/669930810.db2.gz VHBGVZKHZONBKF-SECBINFHSA-N 0 0 318.160 0.902 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(Br)nn2C)C1 ZINC000192152403 670130487 /nfs/dbraw/zinc/13/04/87/670130487.db2.gz QYIREXNOOZTKAG-UHFFFAOYSA-N 0 0 315.171 0.391 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000712680304 670149304 /nfs/dbraw/zinc/14/93/04/670149304.db2.gz JSHFSIWWEKEAJN-NEPJUHHUSA-N 0 0 304.412 0.752 10 0 DCAERN CN(Cc1cn(C)nc1Br)[C@@H]1CCN(C)C1=O ZINC000713872551 670170815 /nfs/dbraw/zinc/17/08/15/670170815.db2.gz PLPYXOJCTMDYQE-SECBINFHSA-N 0 0 301.188 0.845 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2c(F)cccc2F)CC1 ZINC000713977630 670173214 /nfs/dbraw/zinc/17/32/14/670173214.db2.gz ADSFFWJHMAQZSV-UHFFFAOYSA-N 0 0 304.318 0.445 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(Cc2cn(C)nc2Br)C1 ZINC000714076558 670175233 /nfs/dbraw/zinc/17/52/33/670175233.db2.gz NBNPGVWNOVQJRA-UWVGGRQHSA-N 0 0 304.188 0.764 10 0 DCAERN Cn1ncc(NCC[C@@H]2CCCS2(=O)=O)c(Cl)c1=O ZINC000714383995 670186655 /nfs/dbraw/zinc/18/66/55/670186655.db2.gz XLYZNBFNSZOWLB-QMMMGPOBSA-N 0 0 305.787 0.813 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000714495222 670190231 /nfs/dbraw/zinc/19/02/31/670190231.db2.gz IJGSJOBEELFKBC-UHFFFAOYSA-N 0 0 305.117 0.748 10 0 DCAERN CCN1C[C@H](C(=O)NC[C@@H](O)c2ccccc2OC)CC1=O ZINC000193218266 670253371 /nfs/dbraw/zinc/25/33/71/670253371.db2.gz HWQMEOAGOLVZFQ-DGCLKSJQSA-N 0 0 306.362 0.713 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c1 ZINC000080736958 670375584 /nfs/dbraw/zinc/37/55/84/670375584.db2.gz LWOZRRGWABTDNH-NSHDSACASA-N 0 0 315.395 0.677 10 0 DCAERN CN(C)c1noc(CSc2nnc(-c3ccccn3)n2N)n1 ZINC000194688076 670450682 /nfs/dbraw/zinc/45/06/82/670450682.db2.gz GXJOYMZGFDPEOA-UHFFFAOYSA-N 0 0 318.366 0.795 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cn1nc(N(C)C)sc1=S ZINC000190700345 670481168 /nfs/dbraw/zinc/48/11/68/670481168.db2.gz USCZOPPTURFCHF-MRVPVSSYSA-N 0 0 301.441 0.908 10 0 DCAERN O=C([C@@H]1CSCCS1)N1CCN(c2cccnn2)CC1 ZINC000195378875 670487849 /nfs/dbraw/zinc/48/78/49/670487849.db2.gz UXPPEDVPONZXKN-NSHDSACASA-N 0 0 310.448 0.974 10 0 DCAERN CC(C)[C@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116869255 671132021 /nfs/dbraw/zinc/13/20/21/671132021.db2.gz LWOXOIXLRRRAAF-RYUDHWBXSA-N 0 0 303.428 0.072 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCNC(=O)CC1 ZINC000396746567 685271815 /nfs/dbraw/zinc/27/18/15/685271815.db2.gz ZJDACLISILJQNN-VIFPVBQESA-N 0 0 317.798 0.990 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)C1CC2(CSC2)C1 ZINC000718422382 685305539 /nfs/dbraw/zinc/30/55/39/685305539.db2.gz BFEAEESZKUQOQX-UHFFFAOYSA-N 0 0 301.364 0.304 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccccc2F)CCS(=O)(=O)C1 ZINC000720846759 685315527 /nfs/dbraw/zinc/31/55/27/685315527.db2.gz QECSANGDLFMUJD-CYBMUJFWSA-N 0 0 301.339 0.759 10 0 DCAERN CO[C@]1(CNC(=O)c2cncc(Cl)n2)CCS(=O)(=O)C1 ZINC000720849437 685316302 /nfs/dbraw/zinc/31/63/02/685316302.db2.gz XJDAFRIOXIOWDG-NSHDSACASA-N 0 0 319.770 0.064 10 0 DCAERN CN(CCS(N)(=O)=O)C(=O)c1coc(Br)c1 ZINC000719735562 685311428 /nfs/dbraw/zinc/31/14/28/685311428.db2.gz NZKWMTSCDKYOQN-UHFFFAOYSA-N 0 0 311.157 0.403 10 0 DCAERN O=C(NCCOC(F)(F)C(F)(F)F)[C@@H]1CCC(=O)NC1 ZINC000720313348 685312221 /nfs/dbraw/zinc/31/22/21/685312221.db2.gz RDFQKFYJAHABCX-ZCFIWIBFSA-N 0 0 304.215 0.801 10 0 DCAERN CC(=O)N(C)CC(=O)NCc1cn(C)nc1Br ZINC000720095578 685312283 /nfs/dbraw/zinc/31/22/83/685312283.db2.gz CQMRAWRLAOCJHB-UHFFFAOYSA-N 0 0 303.160 0.277 10 0 DCAERN C[C@H](Nc1cnn(C)c(=O)c1Br)c1cn(C)nn1 ZINC000720538068 685313585 /nfs/dbraw/zinc/31/35/85/685313585.db2.gz YBNRMHIZMFNPHT-LURJTMIESA-N 0 0 313.159 0.844 10 0 DCAERN Cn1cc(CNC(=O)c2csnn2)c(Br)n1 ZINC000720663049 685314301 /nfs/dbraw/zinc/31/43/01/685314301.db2.gz NIFRCHZYVIVLGH-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN CCC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OCC ZINC000720874931 685316663 /nfs/dbraw/zinc/31/66/63/685316663.db2.gz RABHHWOUEQGSHV-YPMHNXCESA-N 0 0 307.412 0.512 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)NCC(=O)N3CCCC3)nc2n1 ZINC000078805705 685081246 /nfs/dbraw/zinc/08/12/46/685081246.db2.gz KLFCGHNUZMMSIJ-UHFFFAOYSA-N 0 0 316.365 0.022 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000135359154 685121424 /nfs/dbraw/zinc/12/14/24/685121424.db2.gz LMMSHYHIOGKVRR-UHFFFAOYSA-N 0 0 318.439 0.422 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000195520242 685154890 /nfs/dbraw/zinc/15/48/90/685154890.db2.gz CVILHVFZRKVQDP-ZIAGYGMSSA-N 0 0 321.425 0.725 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCN1CC(F)F ZINC000245747233 685158570 /nfs/dbraw/zinc/15/85/70/685158570.db2.gz NDOYEJLBKSGZDH-DTWKUNHWSA-N 0 0 307.366 0.999 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@H](C(N)=O)O1 ZINC000246562264 685164970 /nfs/dbraw/zinc/16/49/70/685164970.db2.gz RIRHYDRCQIVIHY-MRVWCRGKSA-N 0 0 303.362 0.492 10 0 DCAERN COC(=O)c1cn(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)nn1 ZINC000246777358 685166161 /nfs/dbraw/zinc/16/61/61/685166161.db2.gz WZBFPAATKNYNGB-DGCLKSJQSA-N 0 0 304.354 0.802 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000246996095 685168633 /nfs/dbraw/zinc/16/86/33/685168633.db2.gz LNXRERBXNBJOJX-UONOGXRCSA-N 0 0 323.418 0.541 10 0 DCAERN COC(=O)C[C@H](C)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000248162597 685174024 /nfs/dbraw/zinc/17/40/24/685174024.db2.gz MMYSYMRXESPJFJ-WCQYABFASA-N 0 0 317.349 0.525 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1nnnn1C1CC1 ZINC000249339542 685178931 /nfs/dbraw/zinc/17/89/31/685178931.db2.gz DFPWWXLCCLYITD-VHSXEESVSA-N 0 0 314.415 0.635 10 0 DCAERN CN(C)S(=O)(=O)CCNCc1nc(Br)c[nH]1 ZINC000380769456 685237787 /nfs/dbraw/zinc/23/77/87/685237787.db2.gz YJUMBNOIQJBUDF-UHFFFAOYSA-N 0 0 311.205 0.153 10 0 DCAERN Cn1ncc(C(=O)NC2COCCOC2)c1Br ZINC000383089566 685241934 /nfs/dbraw/zinc/24/19/34/685241934.db2.gz LAHXVLBDVSIDGM-UHFFFAOYSA-N 0 0 304.144 0.328 10 0 DCAERN COCCN(Cc1ccccc1)S(=O)(=O)c1cnc(N)nc1 ZINC000384407441 685244293 /nfs/dbraw/zinc/24/42/93/685244293.db2.gz HIKCLSHJZAXOPN-UHFFFAOYSA-N 0 0 322.390 0.726 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cnc(OC)s1 ZINC000385626817 685247009 /nfs/dbraw/zinc/24/70/09/685247009.db2.gz HXFROUHMCWYZMG-DTWKUNHWSA-N 0 0 306.409 0.933 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cnc(OC)s1 ZINC000385626821 685247447 /nfs/dbraw/zinc/24/74/47/685247447.db2.gz HXFROUHMCWYZMG-RKDXNWHRSA-N 0 0 306.409 0.933 10 0 DCAERN CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)on1 ZINC000398840525 1157375614 /nfs/dbraw/zinc/37/56/14/1157375614.db2.gz JIOZNSUARXDSHZ-FFVOIRBGSA-N 0 0 302.352 0.690 10 0 DCAERN NC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000040331862 1157394665 /nfs/dbraw/zinc/39/46/65/1157394665.db2.gz JMBVITOBNONRMQ-UHFFFAOYSA-N 0 0 310.785 0.555 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCOC2(C)C)cc1S(N)(=O)=O ZINC000328387523 1157796489 /nfs/dbraw/zinc/79/64/89/1157796489.db2.gz MNTKFXPUMYGNMQ-SNVBAGLBSA-N 0 0 302.352 0.533 10 0 DCAERN CCOc1n[nH]c(NC(=O)c2c(C)[nH]c(=O)nc2SC)n1 ZINC000228789399 1158067792 /nfs/dbraw/zinc/06/77/92/1158067792.db2.gz QKLLTHPLPRXHCF-UHFFFAOYSA-N 0 0 310.339 0.569 10 0 DCAERN Cn1ccc([C@H]2CCCN(C(=O)c3nc4ncccn4n3)C2)n1 ZINC000585388632 1158111433 /nfs/dbraw/zinc/11/14/33/1158111433.db2.gz KCFZRXYKTUPQKL-NSHDSACASA-N 0 0 311.349 0.878 10 0 DCAERN C[C@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@@H]1O ZINC000333317191 1158291063 /nfs/dbraw/zinc/29/10/63/1158291063.db2.gz OZXPSRCNYAOBON-WFASDCNBSA-N 0 0 305.378 0.761 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NCCOCCCO)ccc21 ZINC000353112604 1159096466 /nfs/dbraw/zinc/09/64/66/1159096466.db2.gz REDKOJQUISQUIO-UHFFFAOYSA-N 0 0 306.362 0.724 10 0 DCAERN NC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000049523854 1171696295 /nfs/dbraw/zinc/69/62/95/1171696295.db2.gz UCLLLCCBAAGGPX-UHFFFAOYSA-N 0 0 307.325 0.279 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000050017747 1171714651 /nfs/dbraw/zinc/71/46/51/1171714651.db2.gz PHHLIABLHUFAGH-SSDOTTSWSA-N 0 0 304.318 0.712 10 0 DCAERN NC(=O)[C@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000054551217 1171845290 /nfs/dbraw/zinc/84/52/90/1171845290.db2.gz OTZXEVYKHQRPBJ-OAHLLOKOSA-N 0 0 309.329 0.774 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1ccc(Cl)cc1N ZINC000061876336 1172265344 /nfs/dbraw/zinc/26/53/44/1172265344.db2.gz PITCFZTUPVAYJW-UHFFFAOYSA-N 0 0 314.725 0.710 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000075900956 1173938379 /nfs/dbraw/zinc/93/83/79/1173938379.db2.gz VPNYOFYEXNFJLK-UHFFFAOYSA-N 0 0 321.352 0.588 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000133822309 1177529249 /nfs/dbraw/zinc/52/92/49/1177529249.db2.gz STUQQSARRRKHMS-ZETCQYMHSA-N 0 0 304.318 0.854 10 0 DCAERN COC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1Cl ZINC000234816926 1180565821 /nfs/dbraw/zinc/56/58/21/1180565821.db2.gz JICZXTZFPCFXMR-SECBINFHSA-N 0 0 300.742 0.193 10 0 DCAERN Cc1ccccc1C(=O)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC000169842326 1183610178 /nfs/dbraw/zinc/61/01/78/1183610178.db2.gz FLFJZMWOKCNCDO-UHFFFAOYSA-N 0 0 300.318 0.238 10 0 DCAERN COC(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000169909669 1183623303 /nfs/dbraw/zinc/62/33/03/1183623303.db2.gz KBXUEBDLAIYVAR-UHFFFAOYSA-N 0 0 312.322 0.798 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccc(C)cc1 ZINC000175235176 1184063657 /nfs/dbraw/zinc/06/36/57/1184063657.db2.gz JCUIHQBLTWRNEJ-ZDUSSCGKSA-N 0 0 314.407 0.426 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN[C@H](c1nc(C)no1)C(C)C ZINC000179865572 1185168673 /nfs/dbraw/zinc/16/86/73/1185168673.db2.gz GRWGTHUMRMNTGU-ZDUSSCGKSA-N 0 0 312.370 0.686 10 0 DCAERN CC(C)C(=O)NCCNC(=O)c1cccc(-n2ccnc2)n1 ZINC000181209762 1185178403 /nfs/dbraw/zinc/17/84/03/1185178403.db2.gz QNGOYLBBEOTWNN-UHFFFAOYSA-N 0 0 301.350 0.769 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000185957711 1187332586 /nfs/dbraw/zinc/33/25/86/1187332586.db2.gz JAJISOXXTYYYFU-NWDGAFQWSA-N 0 0 304.350 0.430 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C)s2)CC1 ZINC000198230260 1188320042 /nfs/dbraw/zinc/32/00/42/1188320042.db2.gz FYFFXNLMDFCRPV-UHFFFAOYSA-N 0 0 323.418 0.913 10 0 DCAERN CO[C@]1(CO)CCCN(c2ccc(S(N)(=O)=O)cc2)C1 ZINC000401954149 1190080663 /nfs/dbraw/zinc/08/06/63/1190080663.db2.gz WSLVXCQXDHPCOP-CYBMUJFWSA-N 0 0 300.380 0.312 10 0 DCAERN Nc1ncnc(NC[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000311767735 1190392345 /nfs/dbraw/zinc/39/23/45/1190392345.db2.gz GWZQCEMWOMSVBF-ZDUSSCGKSA-N 0 0 300.366 0.767 10 0 DCAERN O=C(c1cccnc1Br)N1C[C@@H](O)[C@H](CO)C1 ZINC000316439171 1190414967 /nfs/dbraw/zinc/41/49/67/1190414967.db2.gz DVTOPXIQRKEBHJ-IONNQARKSA-N 0 0 301.140 0.269 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccon1)[C@H]2C ZINC000443761136 1190446259 /nfs/dbraw/zinc/44/62/59/1190446259.db2.gz SKJVPQMOTBEISZ-VIFPVBQESA-N 0 0 318.337 0.353 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(F)F ZINC000390430885 1190700751 /nfs/dbraw/zinc/70/07/51/1190700751.db2.gz CRHKMNVZSPPGAB-LURJTMIESA-N 0 0 314.335 0.266 10 0 DCAERN C[C@@H]1CC(OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000588449077 747308551 /nfs/dbraw/zinc/30/85/51/747308551.db2.gz BCXXJBBEPFCAOM-AKQGSYQISA-N 0 0 322.361 0.596 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC1(CO)CC1 ZINC000588544985 747425236 /nfs/dbraw/zinc/42/52/36/747425236.db2.gz YEWYPPQWVQLCHR-GFCCVEGCSA-N 0 0 306.410 0.919 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1cccnc1Cl ZINC000404229702 774126978 /nfs/dbraw/zinc/12/69/78/774126978.db2.gz NRMSZOZEBXGDFO-LLVKDONJSA-N 0 0 306.771 0.555 10 0 DCAERN O[C@@H](CN1CCOCC1)CN1CCC=C(Br)C1 ZINC000404406467 774131569 /nfs/dbraw/zinc/13/15/69/774131569.db2.gz MERCIXJVVKMDSE-LBPRGKRZSA-N 0 0 305.216 0.664 10 0 DCAERN Nc1c(F)cccc1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721607583 944847754 /nfs/dbraw/zinc/84/77/54/944847754.db2.gz VPSJNJCGAVFFAB-UHFFFAOYSA-N 0 0 301.343 0.349 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000690832430 954678975 /nfs/dbraw/zinc/67/89/75/954678975.db2.gz RTZMQJHEAAGAPW-WOPDTQHZSA-N 0 0 304.412 0.453 10 0 DCAERN COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000692333236 976423689 /nfs/dbraw/zinc/42/36/89/976423689.db2.gz VZJMIKQDJJSAHC-ZDUSSCGKSA-N 0 0 307.412 0.765 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000692360924 976435299 /nfs/dbraw/zinc/43/52/99/976435299.db2.gz ZSOLTVQQYQXYOS-UPJWGTAASA-N 0 0 301.408 0.996 10 0 DCAERN CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694173724 976674668 /nfs/dbraw/zinc/67/46/68/976674668.db2.gz UYWFJWPFYCATGV-UHFFFAOYSA-N 0 0 302.352 0.693 10 0 DCAERN CN1C(=O)COc2cc(NC(=O)N3CCOC[C@@H](O)C3)ccc21 ZINC000095499283 185374701 /nfs/dbraw/zinc/37/47/01/185374701.db2.gz XWZGCUXNEGFPBZ-NSHDSACASA-N 0 0 321.333 0.267 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000088199990 185241725 /nfs/dbraw/zinc/24/17/25/185241725.db2.gz VDAXMPPJALNBED-VIFPVBQESA-N 0 0 302.338 0.532 10 0 DCAERN CN1C[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)CC1=O ZINC000089990574 185275333 /nfs/dbraw/zinc/27/53/33/185275333.db2.gz FLTIHAAHVWRCEU-ZCFIWIBFSA-N 0 0 314.139 0.554 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCCn1ccnc1)CC2 ZINC000181353091 199284288 /nfs/dbraw/zinc/28/42/88/199284288.db2.gz YBRNCWBHNGLVHG-GFCCVEGCSA-N 0 0 317.397 0.912 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185106255 529701427 /nfs/dbraw/zinc/70/14/27/529701427.db2.gz ADOFRTYUNWIUHT-STQMWFEESA-N 0 0 305.444 0.104 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(CC)CC ZINC000157071541 529750177 /nfs/dbraw/zinc/75/01/77/529750177.db2.gz ZYJIZNIWXPBCRT-JTQLQIEISA-N 0 0 301.416 0.852 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)C[C@H](C)O1 ZINC000097013435 185396836 /nfs/dbraw/zinc/39/68/36/185396836.db2.gz FLGRMXIHKJGBSB-OUAUKWLOSA-N 0 0 315.399 0.057 10 0 DCAERN C[C@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCS1(=O)=O ZINC000163389522 290696869 /nfs/dbraw/zinc/69/68/69/290696869.db2.gz XWDXNOAKHVBHOG-WFASDCNBSA-N 0 0 311.403 0.930 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822545 529852280 /nfs/dbraw/zinc/85/22/80/529852280.db2.gz UUVWODAFCLOROI-CQSZACIVSA-N 0 0 317.393 0.181 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(C)C ZINC000179127932 529898593 /nfs/dbraw/zinc/89/85/93/529898593.db2.gz QTCPNMYZHYRZMA-NSHDSACASA-N 0 0 302.334 0.424 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(F)c1C)C(C)C ZINC000179081252 529895820 /nfs/dbraw/zinc/89/58/20/529895820.db2.gz CKVQVXIIQIGRAY-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1F)C(C)C ZINC000179077381 529896015 /nfs/dbraw/zinc/89/60/15/529896015.db2.gz BNDCFDMQSCNQJH-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C)cc(F)c1)C(C)C ZINC000179083122 529918447 /nfs/dbraw/zinc/91/84/47/529918447.db2.gz XRZVUEAAHFVYKU-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN 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0.589 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(c2ccnc(C)n2)CC1 ZINC000302106925 529951583 /nfs/dbraw/zinc/95/15/83/529951583.db2.gz AEYIJEAMIHNVFQ-UHFFFAOYSA-N 0 0 312.377 0.866 10 0 DCAERN COC[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000103364436 185448236 /nfs/dbraw/zinc/44/82/36/185448236.db2.gz SXQCFLBQACVOAF-GFCCVEGCSA-N 0 0 314.407 0.672 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCC(=O)N1CCCCC1 ZINC000046520101 190675865 /nfs/dbraw/zinc/67/58/65/190675865.db2.gz DNZBGOYLLMZJRA-UHFFFAOYSA-N 0 0 312.414 0.555 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)CNC(=O)c1ccccn1 ZINC000181764146 199348689 /nfs/dbraw/zinc/34/86/89/199348689.db2.gz PTHKUJCRMQCXIK-UHFFFAOYSA-N 0 0 321.768 0.857 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@]2(CCO)CCOC2)c(C)o1 ZINC000183330398 199575900 /nfs/dbraw/zinc/57/59/00/199575900.db2.gz TYYONBFIMCUBJR-ZDUSSCGKSA-N 0 0 303.380 0.964 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)Cc1cc[nH]n1 ZINC000331086272 232506736 /nfs/dbraw/zinc/50/67/36/232506736.db2.gz CYUOMHCOTCBZQG-MNOVXSKESA-N 0 0 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/nfs/dbraw/zinc/08/42/02/198084202.db2.gz IVKBUUCSBKUMIO-UHFFFAOYSA-N 0 0 314.345 0.433 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000172756380 198146105 /nfs/dbraw/zinc/14/61/05/198146105.db2.gz PCIITZJGSLCMFT-ZDUSSCGKSA-N 0 0 302.382 0.905 10 0 DCAERN OCCCSCCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000172823289 198153839 /nfs/dbraw/zinc/15/38/39/198153839.db2.gz GBUGXUWQLVLTRE-LBPRGKRZSA-N 0 0 312.439 0.965 10 0 DCAERN CC(C)c1nc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cs1 ZINC000173083105 198183665 /nfs/dbraw/zinc/18/36/65/198183665.db2.gz HZUBOEWRQWKWDL-UHFFFAOYSA-N 0 0 308.363 0.916 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCOC3)C2=O)n1 ZINC000173187438 198193838 /nfs/dbraw/zinc/19/38/38/198193838.db2.gz JOZWQCRPFJXRAC-RYUDHWBXSA-N 0 0 321.381 0.394 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnccn2)ncn1 ZINC000173443085 198216150 /nfs/dbraw/zinc/21/61/50/198216150.db2.gz GRHLFPOMFBSDSS-LLVKDONJSA-N 0 0 313.365 0.707 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173452360 198217025 /nfs/dbraw/zinc/21/70/25/198217025.db2.gz UKAKFXHYXZNWTL-RAIGVLPGSA-N 0 0 316.357 0.908 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)[nH]1 ZINC000331907054 234260807 /nfs/dbraw/zinc/26/08/07/234260807.db2.gz XZWIKKUDSPGYAF-NSHDSACASA-N 0 0 316.365 0.799 10 0 DCAERN COCCN1CCN(C(=O)NCc2c(C)nn(C)c2C)C[C@@H]1C ZINC000173486731 198220257 /nfs/dbraw/zinc/22/02/57/198220257.db2.gz RQXFVJWSQGJBKA-LBPRGKRZSA-N 0 0 323.441 0.899 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(=O)[nH]c3)CCO2)[nH]1 ZINC000173582323 198230060 /nfs/dbraw/zinc/23/00/60/198230060.db2.gz ORLKAEGISIMZKR-SNVBAGLBSA-N 0 0 303.322 0.681 10 0 DCAERN CCN(CCO)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173568161 198228218 /nfs/dbraw/zinc/22/82/18/198228218.db2.gz NETHVCGEYBZKAE-LBPRGKRZSA-N 0 0 323.397 0.248 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H](n2cncn2)C1)N1CCCCC1 ZINC000173868257 198262016 /nfs/dbraw/zinc/26/20/16/198262016.db2.gz SVOZZMMNCPKOFD-CYBMUJFWSA-N 0 0 320.397 0.637 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174156941 198299448 /nfs/dbraw/zinc/29/94/48/198299448.db2.gz SHQIPPPMUBKBBB-STQMWFEESA-N 0 0 322.413 0.929 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000174619248 198360996 /nfs/dbraw/zinc/36/09/96/198360996.db2.gz WUYZPRJHALZGPH-CQSZACIVSA-N 0 0 317.397 0.991 10 0 DCAERN CC[C@H]1CN(C(=O)c2c(C)nn(C)c2OC)CCN1C[C@@H](C)O ZINC000174625259 198362111 /nfs/dbraw/zinc/36/21/11/198362111.db2.gz LKVSMXSJMLLADC-YPMHNXCESA-N 0 0 324.425 0.654 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000175221345 198446851 /nfs/dbraw/zinc/44/68/51/198446851.db2.gz FLNBCCIABLVACR-GRYCIOLGSA-N 0 0 323.397 0.232 10 0 DCAERN COCC(=O)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000004270853 181089918 /nfs/dbraw/zinc/08/99/18/181089918.db2.gz KYNPYZHXOVULFI-GFCCVEGCSA-N 0 0 309.366 0.441 10 0 DCAERN CC(C)(C)CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000080190913 192010882 /nfs/dbraw/zinc/01/08/82/192010882.db2.gz AEBBLACAEJUTPC-UHFFFAOYSA-N 0 0 320.436 0.800 10 0 DCAERN Cc1ccc(CS(=O)(=O)N2CCNC(=O)CC2)cc1F ZINC000184137843 199677981 /nfs/dbraw/zinc/67/79/81/199677981.db2.gz QAOQWJHZZHPMLL-UHFFFAOYSA-N 0 0 300.355 0.786 10 0 DCAERN C[C@](O)(CNC(=O)c1cc(F)cc(F)c1)CN1CCOCC1 ZINC000080893569 192198985 /nfs/dbraw/zinc/19/89/85/192198985.db2.gz ZKWSVOKSDGUWGO-HNNXBMFYSA-N 0 0 314.332 0.778 10 0 DCAERN COCC(=O)N[C@H](C(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000081580064 192296297 /nfs/dbraw/zinc/29/62/97/192296297.db2.gz KUCADLUQXMCDCN-AAEUAGOBSA-N 0 0 323.397 0.325 10 0 DCAERN COC(=O)N[C@H](C(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000081579294 192296614 /nfs/dbraw/zinc/29/66/14/192296614.db2.gz QLVFLBIIELXKKK-MNOVXSKESA-N 0 0 309.370 0.918 10 0 DCAERN COCCN1CCN(C(=O)NCCCc2ccccn2)CC1 ZINC000178432140 198866554 /nfs/dbraw/zinc/86/65/54/198866554.db2.gz XAUBQFWXLLKFSS-UHFFFAOYSA-N 0 0 306.410 0.988 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)NCCCc1ccccn1 ZINC000178597274 198893504 /nfs/dbraw/zinc/89/35/04/198893504.db2.gz ONANOUYXPOWHGY-UHFFFAOYSA-N 0 0 311.345 0.640 10 0 DCAERN C[C@H]1CCN(c2cnn(C)c(=O)c2Br)C[C@H]1O ZINC000301965795 290593499 /nfs/dbraw/zinc/59/34/99/290593499.db2.gz XHQIWAXDQRIEMF-IONNQARKSA-N 0 0 302.172 0.750 10 0 DCAERN Cc1cnn(CCNC(=O)c2cnc3sc(C)cn3c2=O)c1 ZINC000179942371 199096893 /nfs/dbraw/zinc/09/68/93/199096893.db2.gz RRGQIKDYGRGMOR-UHFFFAOYSA-N 0 0 317.374 0.999 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cc(=O)oc2cc(O)ccc12 ZINC000180230019 199133272 /nfs/dbraw/zinc/13/32/72/199133272.db2.gz IAORINJAJKURFW-LBPRGKRZSA-N 0 0 304.302 0.185 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000180423139 199157683 /nfs/dbraw/zinc/15/76/83/199157683.db2.gz FQJZMSMETLSASZ-CYBMUJFWSA-N 0 0 310.419 0.996 10 0 DCAERN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CCCc2n[nH]cc21 ZINC000180819268 199213035 /nfs/dbraw/zinc/21/30/35/199213035.db2.gz IVTAVSIFWDLNFY-VXGBXAGGSA-N 0 0 321.377 0.868 10 0 DCAERN COC1(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCC1 ZINC000180863150 199219683 /nfs/dbraw/zinc/21/96/83/199219683.db2.gz LIIHNJSUUFAYHT-CYBMUJFWSA-N 0 0 305.378 0.951 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000153063979 237016763 /nfs/dbraw/zinc/01/67/63/237016763.db2.gz UULHMNNGAMGIBW-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1ccccc1CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000159200170 237073031 /nfs/dbraw/zinc/07/30/31/237073031.db2.gz XMBYYINOKHDEAR-LBPRGKRZSA-N 0 0 317.432 0.944 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)[C@H](C)CO1 ZINC000162434277 237106528 /nfs/dbraw/zinc/10/65/28/237106528.db2.gz WELCEQIWQMMYOG-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN O=C(NCc1cc(F)cc(F)c1)N1CCS(=O)(=O)CC1 ZINC000171586283 237133915 /nfs/dbraw/zinc/13/39/15/237133915.db2.gz ZZUMBYMDMMVKQS-UHFFFAOYSA-N 0 0 304.318 0.905 10 0 DCAERN COCCN1CCN(C(=O)CCOC2CCOCC2)C[C@@H]1C ZINC000175423905 237185788 /nfs/dbraw/zinc/18/57/88/237185788.db2.gz VNOZAVFACUNEDV-AWEZNQCLSA-N 0 0 314.426 0.751 10 0 DCAERN CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)(C)C ZINC000174411213 237172374 /nfs/dbraw/zinc/17/23/74/237172374.db2.gz BGTQAVUONRAYMN-QWRGUYRKSA-N 0 0 306.428 0.876 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@H]3CCC[C@@H]31)c2=O ZINC000174285502 237172682 /nfs/dbraw/zinc/17/26/82/237172682.db2.gz NTJYFSHOZZPYLU-YPMHNXCESA-N 0 0 315.377 0.921 10 0 DCAERN C[C@H]1NC(=S)N([C@@H]2CCCN(c3cccnc3)C2=O)C1=O ZINC000181282605 291188195 /nfs/dbraw/zinc/18/81/95/291188195.db2.gz LFRVKSMIYMMTTP-MWLCHTKSSA-N 0 0 304.375 0.682 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2(O)CCC2)CC1 ZINC000186480040 237318059 /nfs/dbraw/zinc/31/80/59/237318059.db2.gz QDPHFLQKKPVOAE-UHFFFAOYSA-N 0 0 306.410 0.596 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000187444194 200112932 /nfs/dbraw/zinc/11/29/32/200112932.db2.gz CSLSNLFLTTVHBC-LBPRGKRZSA-N 0 0 306.362 0.948 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)[C@H](C)CO1 ZINC000188916892 237383531 /nfs/dbraw/zinc/38/35/31/237383531.db2.gz MAKPRLXMTSCKPG-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCOC[C@@H]3C)C2=O)n(C)n1 ZINC000194518261 237503037 /nfs/dbraw/zinc/50/30/37/237503037.db2.gz SGFCLMSUAUVUQZ-UHTWSYAYSA-N 0 0 320.393 0.623 10 0 DCAERN CCn1c(C)nnc1CN1CCCN(S(C)(=O)=O)CC1 ZINC000195053164 237506783 /nfs/dbraw/zinc/50/67/83/237506783.db2.gz ZSTIWNIUIJVJPM-UHFFFAOYSA-N 0 0 301.416 0.074 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153611756 291207594 /nfs/dbraw/zinc/20/75/94/291207594.db2.gz PIEUCCZOWXRLCA-NSHDSACASA-N 0 0 301.350 0.923 10 0 DCAERN CN(CCN(C)c1ccccc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000153630175 291207831 /nfs/dbraw/zinc/20/78/31/291207831.db2.gz KTHDMMGZXWSRRQ-LBPRGKRZSA-N 0 0 304.350 0.179 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)c2cn3ccnc3s2)CC1 ZINC000188626315 200276830 /nfs/dbraw/zinc/27/68/30/200276830.db2.gz QRLANACXOLHVPG-UHFFFAOYSA-N 0 0 321.406 0.290 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)ccc1F ZINC000188724282 200293957 /nfs/dbraw/zinc/29/39/57/200293957.db2.gz XVCSSDGODUQZAB-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c(F)c1 ZINC000188727313 200295903 /nfs/dbraw/zinc/29/59/03/200295903.db2.gz UCAQWUSOWPAMQD-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1cccc(-c2ncco2)c1 ZINC000154996411 291217451 /nfs/dbraw/zinc/21/74/51/291217451.db2.gz CWFVXPAZHYBCIR-UHFFFAOYSA-N 0 0 300.274 0.832 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000154911142 291216983 /nfs/dbraw/zinc/21/69/83/291216983.db2.gz JCSYVZNFBRJMIM-HNNXBMFYSA-N 0 0 306.366 0.871 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000155337685 291219011 /nfs/dbraw/zinc/21/90/11/291219011.db2.gz CZZVXLTWNDBNAU-UHFFFAOYSA-N 0 0 304.368 0.717 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000155284848 291219268 /nfs/dbraw/zinc/21/92/68/291219268.db2.gz SBBZCMWJVPWQFZ-LBPRGKRZSA-N 0 0 319.336 0.962 10 0 DCAERN Cc1nc(C(=O)NCCCOC[C@@H]2CCCO2)c(=O)[nH]c1C ZINC000155865771 291222620 /nfs/dbraw/zinc/22/26/20/291222620.db2.gz WPKBXXFYDAJACF-LBPRGKRZSA-N 0 0 309.366 0.702 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@@H](C)CN2CCOCC2)n1 ZINC000158462831 291231658 /nfs/dbraw/zinc/23/16/58/291231658.db2.gz UAAYTJNQOSPYBB-LLVKDONJSA-N 0 0 311.386 0.188 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)CCS1(=O)=O ZINC000159189238 291233826 /nfs/dbraw/zinc/23/38/26/291233826.db2.gz GYLKQOAFEVEDPX-WDEREUQCSA-N 0 0 310.441 0.082 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1CCO[C@H](CO)C1)OCO2 ZINC000281410135 216280591 /nfs/dbraw/zinc/28/05/91/216280591.db2.gz HUKQRGXUXKXIIV-JTQLQIEISA-N 0 0 315.347 0.106 10 0 DCAERN Cn1nncc1CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328640808 291259990 /nfs/dbraw/zinc/25/99/90/291259990.db2.gz QEZYGCAFVNFNNE-NSHDSACASA-N 0 0 317.353 0.427 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000283545170 296047595 /nfs/dbraw/zinc/04/75/95/296047595.db2.gz UQPFGEJVTRBVGO-CDMKHQONSA-N 0 0 303.366 0.179 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000408356509 239266956 /nfs/dbraw/zinc/26/69/56/239266956.db2.gz YTRXDSVPWOESOJ-WDEREUQCSA-N 0 0 317.436 0.798 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408396871 239268294 /nfs/dbraw/zinc/26/82/94/239268294.db2.gz RGVIOGDZFQSDPO-OAHLLOKOSA-N 0 0 302.334 0.529 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CCC1=O ZINC000281690081 216475820 /nfs/dbraw/zinc/47/58/20/216475820.db2.gz VFVHHDBECGARNM-VIFPVBQESA-N 0 0 314.363 0.581 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000038104087 291328287 /nfs/dbraw/zinc/32/82/87/291328287.db2.gz WTHQRTZGTWFPNZ-QMMMGPOBSA-N 0 0 321.786 0.790 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408317796 291334761 /nfs/dbraw/zinc/33/47/61/291334761.db2.gz XTTDWTYGMDENPO-LPWJVIDDSA-N 0 0 319.423 0.751 10 0 DCAERN CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1c(Cl)cnn1C ZINC000429860700 240378626 /nfs/dbraw/zinc/37/86/26/240378626.db2.gz NNRGIQBCQPIMEJ-PSASIEDQSA-N 0 0 307.803 0.855 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCOc1ccccc1Cl ZINC000091784091 193107867 /nfs/dbraw/zinc/10/78/67/193107867.db2.gz MMJFAVYYOWZBNK-LLVKDONJSA-N 0 0 312.753 0.822 10 0 DCAERN NC(=O)CN1CCC(C(=O)N2CC(c3cccnc3)C2)CC1 ZINC000091793678 193109145 /nfs/dbraw/zinc/10/91/45/193109145.db2.gz LTDQBKXGQUCUTJ-UHFFFAOYSA-N 0 0 302.378 0.205 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3)sc2C1 ZINC000454066152 240768481 /nfs/dbraw/zinc/76/84/81/240768481.db2.gz LJXQSLPAVLANJR-XHNCKOQMSA-N 0 0 309.391 0.846 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CSC(C)C ZINC000567538938 291360334 /nfs/dbraw/zinc/36/03/34/291360334.db2.gz GPTOLJHXWPKFIN-UWVGGRQHSA-N 0 0 304.412 0.701 10 0 DCAERN Cc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)cc1F ZINC000457549277 241013010 /nfs/dbraw/zinc/01/30/10/241013010.db2.gz CJGLAFIQRMHGFD-GFCCVEGCSA-N 0 0 307.329 0.586 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457768457 241033242 /nfs/dbraw/zinc/03/32/42/241033242.db2.gz SICBWFDSIGYOOF-IIRVCBMXSA-N 0 0 324.377 0.174 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cnc(C)o2)CC1 ZINC000459249335 241056944 /nfs/dbraw/zinc/05/69/44/241056944.db2.gz PRIOLLFVWKVOGM-UHFFFAOYSA-N 0 0 324.381 0.762 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H]1CCc2nccn2C1)N1CCOCC1 ZINC000275307627 212263132 /nfs/dbraw/zinc/26/31/32/212263132.db2.gz HPHWTFBPWISPRM-UONOGXRCSA-N 0 0 321.425 0.465 10 0 DCAERN COC1(CNC(=O)N2CCC([C@H](C)O)CC2)CCOCC1 ZINC000126390573 545768020 /nfs/dbraw/zinc/76/80/20/545768020.db2.gz BOOBBYCZDLDHTH-LBPRGKRZSA-N 0 0 300.399 0.984 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@H](CO)c2ccnn2C)cc1 ZINC000568264127 291419029 /nfs/dbraw/zinc/41/90/29/291419029.db2.gz UZOLVAPWLIZNQL-CYBMUJFWSA-N 0 0 323.374 0.635 10 0 DCAERN CCc1cccc(CC)c1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092229524 193177233 /nfs/dbraw/zinc/17/72/33/193177233.db2.gz HTQIYOZVMZBAKH-CQSZACIVSA-N 0 0 319.405 0.936 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000194178292 261145131 /nfs/dbraw/zinc/14/51/31/261145131.db2.gz CXNPFLKAAMKQKH-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182711340 296142561 /nfs/dbraw/zinc/14/25/61/296142561.db2.gz HPVKCRYZOKKAAV-SECBINFHSA-N 0 0 315.399 0.660 10 0 DCAERN CS(=O)(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096065936 193517130 /nfs/dbraw/zinc/51/71/30/193517130.db2.gz GCNOSWQLDLEZAB-MCIONIFRSA-N 0 0 312.391 0.790 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000264119654 203721748 /nfs/dbraw/zinc/72/17/48/203721748.db2.gz CBZDHCAJMHDJOZ-BXKDBHETSA-N 0 0 317.345 0.757 10 0 DCAERN Cc1nnc2ccc(N3CCCN(c4cccnn4)CC3)nn12 ZINC000265819902 204901218 /nfs/dbraw/zinc/90/12/18/204901218.db2.gz NQQOUFNYISIUBL-UHFFFAOYSA-N 0 0 310.365 0.939 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1N1CCOCC1 ZINC000266109361 205103953 /nfs/dbraw/zinc/10/39/53/205103953.db2.gz AHLAOUGZDANORZ-OCCSQVGLSA-N 0 0 315.377 0.522 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CSC1(C)C ZINC000282807120 217264589 /nfs/dbraw/zinc/26/45/89/217264589.db2.gz ZTNYEMVJQNWIDV-MRVPVSSYSA-N 0 0 319.408 0.759 10 0 DCAERN COCCCNC(=O)CSc1nnnn1-c1ccccc1 ZINC000016222671 182037231 /nfs/dbraw/zinc/03/72/31/182037231.db2.gz SVXBDJRCCZZZLT-UHFFFAOYSA-N 0 0 307.379 0.907 10 0 DCAERN CNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 ZINC000016975764 182067458 /nfs/dbraw/zinc/06/74/58/182067458.db2.gz AJMFRKSOSHYKKD-UHFFFAOYSA-N 0 0 306.362 0.606 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCO1 ZINC000407989919 284391387 /nfs/dbraw/zinc/39/13/87/284391387.db2.gz JARPYYLEZAHQLH-GHMZBOCLSA-N 0 0 300.355 0.527 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000020309559 182204920 /nfs/dbraw/zinc/20/49/20/182204920.db2.gz XHAYYOUSHZYHBE-SECBINFHSA-N 0 0 313.379 0.736 10 0 DCAERN CC1(C)CN(C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@@]2(CCOC2)O1 ZINC000572931894 291599324 /nfs/dbraw/zinc/59/93/24/291599324.db2.gz JODNWAJZYDVPPD-HQHPYACNSA-N 0 0 316.423 0.487 10 0 DCAERN NC(=O)CCS(=O)(=O)CCSc1ccc(N)cc1F ZINC000037194078 182871645 /nfs/dbraw/zinc/87/16/45/182871645.db2.gz KELFSZNLCHMIKQ-UHFFFAOYSA-N 0 0 306.384 0.790 10 0 DCAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCNC(=O)C1 ZINC000158060610 284570059 /nfs/dbraw/zinc/57/00/59/284570059.db2.gz GMADIQXXTOJUFN-ZETCQYMHSA-N 0 0 316.283 0.492 10 0 DCAERN NC(=S)c1cccc(CS(=O)(=O)N2CCC(O)CC2)c1 ZINC000038005214 182959621 /nfs/dbraw/zinc/95/96/21/182959621.db2.gz DAPWBQUFOVXBMT-UHFFFAOYSA-N 0 0 314.432 0.607 10 0 DCAERN O=C1C(=O)N(CCOCCO)c2cc(Br)ccc21 ZINC000040229127 183047846 /nfs/dbraw/zinc/04/78/46/183047846.db2.gz DDYYIGYFTNPIRK-UHFFFAOYSA-N 0 0 314.135 0.987 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000374900895 291672168 /nfs/dbraw/zinc/67/21/68/291672168.db2.gz IWYVPHHRVLCEKS-NHYWBVRUSA-N 0 0 323.393 0.782 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N(CC)C[C@H](C)C(N)=S ZINC000042443869 183271036 /nfs/dbraw/zinc/27/10/36/183271036.db2.gz XBUAEAYPYQOYNA-VIFPVBQESA-N 0 0 310.441 0.514 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N(CCC(N)=S)C1CC1 ZINC000042531390 183281649 /nfs/dbraw/zinc/28/16/49/183281649.db2.gz BEHSQGMEYGKEGP-UHFFFAOYSA-N 0 0 302.425 0.856 10 0 DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000042483618 183276298 /nfs/dbraw/zinc/27/62/98/183276298.db2.gz FBDMXMMTGSZPPU-SECBINFHSA-N 0 0 308.787 0.550 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCn1ccc2ccccc21 ZINC000042848200 183314105 /nfs/dbraw/zinc/31/41/05/183314105.db2.gz RDJLLMHPULDOFT-LBPRGKRZSA-N 0 0 314.345 0.746 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000274127349 211379564 /nfs/dbraw/zinc/37/95/64/211379564.db2.gz VTTBAERWWRFFAC-DLOVCJGASA-N 0 0 310.375 0.992 10 0 DCAERN COc1ccccc1CCN(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000104708851 194028724 /nfs/dbraw/zinc/02/87/24/194028724.db2.gz BVDDCPVEVMJPMF-CYBMUJFWSA-N 0 0 321.421 0.762 10 0 DCAERN CC(C)(CNC(=O)N1CCN(C2CC2)CC1)N1CCOCC1 ZINC000105079199 194070568 /nfs/dbraw/zinc/07/05/68/194070568.db2.gz VXCBSQVRARRAKT-UHFFFAOYSA-N 0 0 310.442 0.587 10 0 DCAERN O=C(NCc1nncn1-c1ccccc1)N1CCNC(=O)CC1 ZINC000105145396 194079627 /nfs/dbraw/zinc/07/96/27/194079627.db2.gz ZJZQZDFUYQNCPH-UHFFFAOYSA-N 0 0 314.349 0.299 10 0 DCAERN O=C(NCc1nnc2ccccn21)N1CCN(C2CC2)CC1 ZINC000105086247 194072111 /nfs/dbraw/zinc/07/21/11/194072111.db2.gz TVOZNSNDXGEEGT-UHFFFAOYSA-N 0 0 300.366 0.719 10 0 DCAERN O=C(NCCCn1cnc2ccccc21)N1CCNC(=O)CC1 ZINC000105088862 194072456 /nfs/dbraw/zinc/07/24/56/194072456.db2.gz HZZPYIXRBXTJSR-UHFFFAOYSA-N 0 0 315.377 0.958 10 0 DCAERN O=C(NCc1ccccc1-n1cccn1)N1CCNC(=O)CC1 ZINC000105201300 194085320 /nfs/dbraw/zinc/08/53/20/194085320.db2.gz DIMNLJHQTOPAGX-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ncccc2C)cn1 ZINC000105288202 194094710 /nfs/dbraw/zinc/09/47/10/194094710.db2.gz FBSYHZOOSGUKRW-UHFFFAOYSA-N 0 0 302.338 0.654 10 0 DCAERN Cc1cc(NC(=O)NC[C@H](C)N2CCOCC2)ccc1C(N)=O ZINC000105344858 194099436 /nfs/dbraw/zinc/09/94/36/194099436.db2.gz SBLORGOEFZUVDQ-LBPRGKRZSA-N 0 0 320.393 0.936 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000105598771 194114131 /nfs/dbraw/zinc/11/41/31/194114131.db2.gz BVCRRGSFENJOJW-JTQLQIEISA-N 0 0 304.354 0.427 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cs1 ZINC000105819606 194136557 /nfs/dbraw/zinc/13/65/57/194136557.db2.gz QMFKXQOJVNHSJN-LBPRGKRZSA-N 0 0 322.434 0.622 10 0 DCAERN CCOCCN1CCN(Cc2nc(CCOC)no2)C[C@@H]1C ZINC000105835671 194143034 /nfs/dbraw/zinc/14/30/34/194143034.db2.gz MUHKVEIWQHIKTI-ZDUSSCGKSA-N 0 0 312.414 0.801 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105855910 194147946 /nfs/dbraw/zinc/14/79/46/194147946.db2.gz UVYYVSGTSOFVAL-NEPJUHHUSA-N 0 0 323.422 0.753 10 0 DCAERN CCCCNC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869048 194150992 /nfs/dbraw/zinc/15/09/92/194150992.db2.gz NLSQWBYKDUCTKH-UHFFFAOYSA-N 0 0 307.442 0.844 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900516 194164948 /nfs/dbraw/zinc/16/49/48/194164948.db2.gz FQEYYZMRHZCLLJ-CYBMUJFWSA-N 0 0 308.382 0.508 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)NC[C@@H]1CCCO1 ZINC000105909351 194166470 /nfs/dbraw/zinc/16/64/70/194166470.db2.gz PUGDILUWQVQOQD-AWEZNQCLSA-N 0 0 319.409 0.284 10 0 DCAERN CCOc1ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F ZINC000106290404 194193848 /nfs/dbraw/zinc/19/38/48/194193848.db2.gz CSUJPXQVYPWJDG-SECBINFHSA-N 0 0 318.370 0.778 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000106393122 194205987 /nfs/dbraw/zinc/20/59/87/194205987.db2.gz CKAJMPQFWXDJNO-CQSZACIVSA-N 0 0 305.378 0.540 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000273772888 211046424 /nfs/dbraw/zinc/04/64/24/211046424.db2.gz WDCFJTMUWVZKGJ-ZDUSSCGKSA-N 0 0 323.393 0.626 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000106753390 194249547 /nfs/dbraw/zinc/24/95/47/194249547.db2.gz QTNKZPXTGCKHPP-KOLCDFICSA-N 0 0 314.407 0.756 10 0 DCAERN COCCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360825913 261880932 /nfs/dbraw/zinc/88/09/32/261880932.db2.gz QKJRBLNVJYAVSW-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111081824 194389326 /nfs/dbraw/zinc/38/93/26/194389326.db2.gz JCHXXNNOLQPHOA-AWEZNQCLSA-N 0 0 314.345 0.749 10 0 DCAERN C[C@H](NC(=O)NCc1ccnn1C)C(=O)NCc1ccccc1 ZINC000056759503 184018858 /nfs/dbraw/zinc/01/88/58/184018858.db2.gz CONCPRATNOOFOG-LBPRGKRZSA-N 0 0 315.377 0.924 10 0 DCAERN COc1nc(OC)nc(-n2cc(Br)c(N)n2)n1 ZINC000061452473 184171295 /nfs/dbraw/zinc/17/12/95/184171295.db2.gz MHCCCKIXJFCISE-UHFFFAOYSA-N 0 0 301.104 0.419 10 0 DCAERN COC(=O)CS(=O)(=O)N(C)c1ccc(C(N)=S)cc1 ZINC000061952382 184198432 /nfs/dbraw/zinc/19/84/32/184198432.db2.gz VXWRCMDJMMEDQS-UHFFFAOYSA-N 0 0 302.377 0.260 10 0 DCAERN NC(=S)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000061886684 184192009 /nfs/dbraw/zinc/19/20/09/184192009.db2.gz YBYFXUCAXHUPLC-NXEZZACHSA-N 0 0 303.384 0.954 10 0 DCAERN CC1(CNC(=O)N2CCN(C(=O)c3ccco3)CC2)COC1 ZINC000112723615 194512303 /nfs/dbraw/zinc/51/23/03/194512303.db2.gz UISDYOKHMKCPHG-UHFFFAOYSA-N 0 0 307.350 0.784 10 0 DCAERN COCCc1cc(NC(=O)N[C@H](C)CN2CCCC2=O)n(C)n1 ZINC000178203688 252606714 /nfs/dbraw/zinc/60/67/14/252606714.db2.gz OJPOTZOSLSHOCM-LLVKDONJSA-N 0 0 323.397 0.741 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)C[C@H](C)O1 ZINC000088793054 252590227 /nfs/dbraw/zinc/59/02/27/252590227.db2.gz VQVISRUCJGSBHT-TXEJJXNPSA-N 0 0 306.428 0.699 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCCOC1)C2=O ZINC000171694839 252593484 /nfs/dbraw/zinc/59/34/84/252593484.db2.gz PNFPKUWLYMSJOK-NSHDSACASA-N 0 0 302.330 0.886 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313674129 252643489 /nfs/dbraw/zinc/64/34/89/252643489.db2.gz ZENKPMHFMTZSIU-ZDUSSCGKSA-N 0 0 306.428 0.315 10 0 DCAERN CN1CCN(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1=O ZINC000333096648 252679961 /nfs/dbraw/zinc/67/99/61/252679961.db2.gz DRIJJSQUSVIZCO-OAHLLOKOSA-N 0 0 323.437 0.711 10 0 DCAERN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CCS1(=O)=O ZINC000333373924 252713859 /nfs/dbraw/zinc/71/38/59/252713859.db2.gz WHNYDYMJBNUWAS-SECBINFHSA-N 0 0 323.378 0.069 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCCOCC1 ZINC000333423139 252721184 /nfs/dbraw/zinc/72/11/84/252721184.db2.gz GKLZKKWHPFUBOD-WDEREUQCSA-N 0 0 305.400 0.018 10 0 DCAERN COC(=O)[C@H](C)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000119612789 195002720 /nfs/dbraw/zinc/00/27/20/195002720.db2.gz KPGHHDLKVXCYKA-ZDUSSCGKSA-N 0 0 311.426 0.424 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000171400695 533012147 /nfs/dbraw/zinc/01/21/47/533012147.db2.gz LYAVKXRSRPNRKU-LBPRGKRZSA-N 0 0 314.288 0.777 10 0 DCAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)NC[C@@](C)(O)CO)cc1 ZINC000338626478 252975801 /nfs/dbraw/zinc/97/58/01/252975801.db2.gz NLUWLOBRASLHOF-CXAGYDPISA-N 0 0 323.389 0.835 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000408051017 296364426 /nfs/dbraw/zinc/36/44/26/296364426.db2.gz HMBAABSIUBIXFS-BARDWOONSA-N 0 0 324.421 0.633 10 0 DCAERN NC(=O)Cn1cc(NC(=O)c2coc(Br)c2)cn1 ZINC000339360665 253073362 /nfs/dbraw/zinc/07/33/62/253073362.db2.gz MLKGAUZRTIYGSV-UHFFFAOYSA-N 0 0 313.111 0.976 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)O)c1 ZINC000340850216 253313355 /nfs/dbraw/zinc/31/33/55/253313355.db2.gz IBHDPSJWJXDOHB-QWRGUYRKSA-N 0 0 321.377 0.883 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000272002502 209375541 /nfs/dbraw/zinc/37/55/41/209375541.db2.gz WECCAYIWFPRGLF-QWRGUYRKSA-N 0 0 321.308 0.754 10 0 DCAERN COCCOCCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000178841537 533080835 /nfs/dbraw/zinc/08/08/35/533080835.db2.gz GPMOYVQSCNLUNS-UHFFFAOYSA-N 0 0 324.303 0.901 10 0 DCAERN CCN(Cc1nnnn1C(C)C)[C@H](C)CS(=O)(=O)CC ZINC000113000656 285131686 /nfs/dbraw/zinc/13/16/86/285131686.db2.gz BQVAKSWUETVYFS-LLVKDONJSA-N 0 0 303.432 0.899 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000345106204 253884225 /nfs/dbraw/zinc/88/42/25/253884225.db2.gz IQHPMVKDHNAWDV-CHWSQXEVSA-N 0 0 320.393 0.953 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC000345524314 253937234 /nfs/dbraw/zinc/93/72/34/253937234.db2.gz QKGFAGSQJZKIES-QWRGUYRKSA-N 0 0 304.350 0.797 10 0 DCAERN COc1ccccc1CNC(=O)CN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346062542 254004517 /nfs/dbraw/zinc/00/45/17/254004517.db2.gz LFIIQAYYZPOPAN-VXGBXAGGSA-N 0 0 309.341 0.209 10 0 DCAERN COc1ccccc1CNC(=O)CN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346062540 254004724 /nfs/dbraw/zinc/00/47/24/254004724.db2.gz LFIIQAYYZPOPAN-NWDGAFQWSA-N 0 0 309.341 0.209 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@H](C)CS(C)(=O)=O)on1 ZINC000346142127 254014990 /nfs/dbraw/zinc/01/49/90/254014990.db2.gz BIHQKIMSGRNIJV-SSDOTTSWSA-N 0 0 304.324 0.014 10 0 DCAERN NS(=O)(=O)c1ccc(OCCN2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346355036 254040442 /nfs/dbraw/zinc/04/04/42/254040442.db2.gz HHILEPZKQFMBHO-QWRGUYRKSA-N 0 0 318.370 0.118 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000346908494 254111885 /nfs/dbraw/zinc/11/18/85/254111885.db2.gz KWNPCBHPCICBHE-LERXQTSPSA-N 0 0 322.409 0.306 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2CCCC2)[C@@H](C)C1 ZINC000347386926 254153102 /nfs/dbraw/zinc/15/31/02/254153102.db2.gz NDFQESBERZQLHU-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN NC(=O)[C@H]1C[C@H](F)CN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000347243724 254141829 /nfs/dbraw/zinc/14/18/29/254141829.db2.gz CLZILSHCJIGMHF-GXSJLCMTSA-N 0 0 308.313 0.303 10 0 DCAERN C[C@@H](CNC(=O)c1cncc(Br)c1)S(N)(=O)=O ZINC000350618982 254319310 /nfs/dbraw/zinc/31/93/10/254319310.db2.gz GPLIYHFRVVAZLM-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1ccccc1F)S(N)(=O)=O ZINC000350618369 254319512 /nfs/dbraw/zinc/31/95/12/254319512.db2.gz DJQUIZAATZEMST-BDAKNGLRSA-N 0 0 304.343 0.386 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350622285 254320415 /nfs/dbraw/zinc/32/04/15/254320415.db2.gz ZAHRTIJNXDOUHJ-DTWKUNHWSA-N 0 0 304.343 0.386 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350627694 254321380 /nfs/dbraw/zinc/32/13/80/254321380.db2.gz FIWNUDUQGHSOBO-GHMZBOCLSA-N 0 0 300.380 0.556 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(Br)cn1)S(N)(=O)=O ZINC000350629917 254321924 /nfs/dbraw/zinc/32/19/24/254321924.db2.gz UIIKXMGKOYJICT-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN CN(C[C@@H]1C[C@@H](F)CN1Cc1nccn1C)C(=O)[C@H]1CCCO1 ZINC000351946729 254382790 /nfs/dbraw/zinc/38/27/90/254382790.db2.gz HXPWGTYCSKLOFC-HZSPNIEDSA-N 0 0 324.400 0.970 10 0 DCAERN COC(=O)[C@@]12CCC[C@H]1CN(c1nn3c(nccc3=O)s1)C2 ZINC000302150113 533154791 /nfs/dbraw/zinc/15/47/91/533154791.db2.gz HLJKPNCMKMAFAO-LKFCYVNXSA-N 0 0 320.374 0.931 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000185057170 296408394 /nfs/dbraw/zinc/40/83/94/296408394.db2.gz LJLGFOVALXBRKX-SNVBAGLBSA-N 0 0 310.441 0.225 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373727048 296409577 /nfs/dbraw/zinc/40/95/77/296409577.db2.gz KCOJTBDPWDBRKZ-NOOOWODRSA-N 0 0 301.412 0.301 10 0 DCAERN COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C)sc1C ZINC000135576565 291918499 /nfs/dbraw/zinc/91/84/99/291918499.db2.gz AQZYBANJVRAIJI-SNVBAGLBSA-N 0 0 319.404 0.927 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC000247412460 285265134 /nfs/dbraw/zinc/26/51/34/285265134.db2.gz QEHVXIJVQDUJMT-AVGNSLFASA-N 0 0 319.471 0.934 10 0 DCAERN CO[C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1Cc1cnn(C)c1 ZINC000248147718 257108044 /nfs/dbraw/zinc/10/80/44/257108044.db2.gz SKYNXXVFYABBJD-ZIAGYGMSSA-N 0 0 301.350 0.682 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)cn1 ZINC000248098472 257109440 /nfs/dbraw/zinc/10/94/40/257109440.db2.gz NDHQTQYNMKQJGH-QWHCGFSZSA-N 0 0 309.391 0.638 10 0 DCAERN Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)n1 ZINC000248109720 257109952 /nfs/dbraw/zinc/10/99/52/257109952.db2.gz QHYFDVGDIBTWMJ-QWHCGFSZSA-N 0 0 309.391 0.638 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2N1C ZINC000248050320 257110092 /nfs/dbraw/zinc/11/00/92/257110092.db2.gz QRAPSDUWZGPGII-MELADBBJSA-N 0 0 302.378 0.281 10 0 DCAERN O=C(c1cccnc1)N1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000247967978 257113035 /nfs/dbraw/zinc/11/30/35/257113035.db2.gz ZYUXZVGEVPNRHM-UONOGXRCSA-N 0 0 321.402 0.863 10 0 DCAERN CC(=O)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC000247942985 257113881 /nfs/dbraw/zinc/11/38/81/257113881.db2.gz NUWLGUHRKMHHFT-WFASDCNBSA-N 0 0 304.350 0.376 10 0 DCAERN O=C([C@@H]1CN(c2ncccn2)C[C@@H]2OCC[C@@H]21)N1CCCC1 ZINC000247791621 257116698 /nfs/dbraw/zinc/11/66/98/257116698.db2.gz OPULKKOCBNGPAY-MCIONIFRSA-N 0 0 302.378 0.940 10 0 DCAERN CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(Cc2cccnc2OC)C1 ZINC000247849044 257117109 /nfs/dbraw/zinc/11/71/09/257117109.db2.gz OALHSMOQPLSJDP-RDBSUJKOSA-N 0 0 305.378 0.816 10 0 DCAERN O=C(CO)N1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC000247740144 257118603 /nfs/dbraw/zinc/11/86/03/257118603.db2.gz NIQKSXRFUNMNEB-AAEUAGOBSA-N 0 0 324.402 0.430 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)O[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000255990044 257104680 /nfs/dbraw/zinc/10/46/80/257104680.db2.gz NKCNUNUEQRYLNZ-VYDRJRHOSA-N 0 0 310.346 0.801 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCCc1ncccc1C ZINC000295931993 533398739 /nfs/dbraw/zinc/39/87/39/533398739.db2.gz GBOZZPFMQWBDSB-UHFFFAOYSA-N 0 0 300.380 0.805 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCCO3)C2)c1=O ZINC000275537404 130331956 /nfs/dbraw/zinc/33/19/56/130331956.db2.gz FBJVEMYIQLTGFP-RYUDHWBXSA-N 0 0 306.366 0.044 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c1=O ZINC000275727090 130371744 /nfs/dbraw/zinc/37/17/44/130371744.db2.gz OSGLJNKURNSJCR-STQMWFEESA-N 0 0 320.393 0.434 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275771035 130381613 /nfs/dbraw/zinc/38/16/13/130381613.db2.gz SFQMIVADBBSFSU-TUAOUCFPSA-N 0 0 321.381 0.628 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CC(C)(C)O)c1 ZINC000276084971 130437504 /nfs/dbraw/zinc/43/75/04/130437504.db2.gz WVFVWCNMPMGECF-UHFFFAOYSA-N 0 0 321.377 0.837 10 0 DCAERN Cc1cc(CO)oc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000283291627 130978685 /nfs/dbraw/zinc/97/86/85/130978685.db2.gz FDBBNDPKPQJMSO-JTQLQIEISA-N 0 0 316.379 0.186 10 0 DCAERN CS(=O)(=O)c1ccccc1CC(=O)N1CCN(C2CC2)CC1 ZINC000284002379 131040485 /nfs/dbraw/zinc/04/04/85/131040485.db2.gz QIHFZTBKZLKCHE-UHFFFAOYSA-N 0 0 322.430 0.939 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284111443 131050020 /nfs/dbraw/zinc/05/00/20/131050020.db2.gz BVFQXBNRMGADQJ-LBPRGKRZSA-N 0 0 304.350 0.616 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2ccon2)CC(C)(C)O1 ZINC000284456669 131082665 /nfs/dbraw/zinc/08/26/65/131082665.db2.gz DJSMMUCFGHSJTR-ZDUSSCGKSA-N 0 0 311.382 0.759 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@H](C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)O1 ZINC000284626218 131098209 /nfs/dbraw/zinc/09/82/09/131098209.db2.gz PWHOVEDIYAGZEF-NBUWXKEQSA-N 0 0 320.393 0.261 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)C[C@H]1C(N)=O ZINC000284685290 131104089 /nfs/dbraw/zinc/10/40/89/131104089.db2.gz ITNFERJVYKRAGY-HTQZYQBOSA-N 0 0 304.318 0.707 10 0 DCAERN COCc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000284711581 131105406 /nfs/dbraw/zinc/10/54/06/131105406.db2.gz KTMOIHILXDJYDM-ZWNOBZJWSA-N 0 0 312.391 0.575 10 0 DCAERN COc1cccc(CCC(=O)N2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284770690 131110239 /nfs/dbraw/zinc/11/02/39/131110239.db2.gz JRRAYCSWPCNVNF-MRXNPFEDSA-N 0 0 316.361 0.866 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284931079 131123896 /nfs/dbraw/zinc/12/38/96/131123896.db2.gz JBCAOKLNKBWNFI-CQSZACIVSA-N 0 0 322.390 0.494 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(c2ncccn2)CC(C)(C)O1 ZINC000285048379 131134442 /nfs/dbraw/zinc/13/44/42/131134442.db2.gz OCBHEUPFENDJTH-LBPRGKRZSA-N 0 0 308.382 0.565 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000285313816 131157311 /nfs/dbraw/zinc/15/73/11/131157311.db2.gz HRVUGLBYLJBRTH-TUKIKUTGSA-N 0 0 321.425 0.904 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285554170 131180089 /nfs/dbraw/zinc/18/00/89/131180089.db2.gz VHEZRVROBOYNCA-GJZGRUSLSA-N 0 0 321.425 0.651 10 0 DCAERN O=C(NCCCc1nc(=O)[nH][nH]1)[C@H]1CCCN1c1nccs1 ZINC000164350644 132150918 /nfs/dbraw/zinc/15/09/18/132150918.db2.gz ZNQXILBNRUWKKQ-SECBINFHSA-N 0 0 322.394 0.272 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2cccs2)CCS1(=O)=O ZINC000121982880 132162074 /nfs/dbraw/zinc/16/20/74/132162074.db2.gz JMIGNDOYRXTHIA-VIFPVBQESA-N 0 0 316.404 0.123 10 0 DCAERN O=S1(=O)N=C(N2CCO[C@]3(CCOC3)C2)c2ccccc21 ZINC000302232945 296494118 /nfs/dbraw/zinc/49/41/18/296494118.db2.gz YUNYNIVPMBSQSJ-CQSZACIVSA-N 0 0 308.359 0.627 10 0 DCAERN O[C@@H]1CCN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000012595717 395687926 /nfs/dbraw/zinc/68/79/26/395687926.db2.gz CMYSDWYUQBVNTK-MRVPVSSYSA-N 0 0 308.367 0.137 10 0 DCAERN CC(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014950608 395689762 /nfs/dbraw/zinc/68/97/62/395689762.db2.gz REXNPDYWUANMIX-XJFOESAGSA-N 0 0 314.290 0.283 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccc(-n2cnnn2)cc1 ZINC000002095438 395681272 /nfs/dbraw/zinc/68/12/72/395681272.db2.gz STWBYXTUGULYAU-UHFFFAOYSA-N 0 0 314.349 0.405 10 0 DCAERN Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684795 395701622 /nfs/dbraw/zinc/70/16/22/395701622.db2.gz JVLNMAMFVPNCOD-ZYHUDNBSSA-N 0 0 312.391 0.940 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085988441 395702601 /nfs/dbraw/zinc/70/26/01/395702601.db2.gz XYOWCHHSEIOVLQ-AAEUAGOBSA-N 0 0 312.391 0.615 10 0 DCAERN Clc1nc(N2CCOCC2)nc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000088284871 395707369 /nfs/dbraw/zinc/70/73/69/395707369.db2.gz DPQVIXWUSUOQIF-AOOOYVTPSA-N 0 0 311.773 0.729 10 0 DCAERN C[C@@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1O ZINC000089410055 395710866 /nfs/dbraw/zinc/71/08/66/395710866.db2.gz ZWWFYWHBYDYHDH-OCCSQVGLSA-N 0 0 304.394 0.922 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C[C@H]1O ZINC000089423969 395711671 /nfs/dbraw/zinc/71/16/71/395711671.db2.gz STBJAUUSVISXEM-YRGRVCCFSA-N 0 0 306.362 0.857 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@H](C)O1 ZINC000029107173 395697024 /nfs/dbraw/zinc/69/70/24/395697024.db2.gz JBLFNWZXLDPHCD-TXEJJXNPSA-N 0 0 308.382 0.407 10 0 DCAERN Nc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1 ZINC000029416138 395698256 /nfs/dbraw/zinc/69/82/56/395698256.db2.gz PEKBXLPDMLWTFU-UHFFFAOYSA-N 0 0 307.379 0.969 10 0 DCAERN CCc1nn(C)c(OC)c1CNc1ccc(C(=O)NC)nn1 ZINC000092962367 395734856 /nfs/dbraw/zinc/73/48/56/395734856.db2.gz FVURUBUBYADFDU-UHFFFAOYSA-N 0 0 304.354 0.753 10 0 DCAERN Cc1ccc(S(=O)(=O)/N=c2\ccccn2CC(N)=O)cc1 ZINC000094992575 395740558 /nfs/dbraw/zinc/74/05/58/395740558.db2.gz VWSFQTLEXQGJRJ-JQIJEIRASA-N 0 0 305.359 0.571 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000042010801 395741339 /nfs/dbraw/zinc/74/13/39/395741339.db2.gz QRJJXLZWMCMLKT-GFCCVEGCSA-N 0 0 307.350 0.694 10 0 DCAERN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)[nH]1 ZINC000044171602 395755355 /nfs/dbraw/zinc/75/53/55/395755355.db2.gz VFNSWNMQOZPXBE-DTWKUNHWSA-N 0 0 321.337 0.384 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000044738093 395758257 /nfs/dbraw/zinc/75/82/57/395758257.db2.gz JHDVEOZTIXMGPW-AWEZNQCLSA-N 0 0 323.437 0.568 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cccc(Br)c1 ZINC000042849037 395749463 /nfs/dbraw/zinc/74/94/63/395749463.db2.gz DUIDXYLBCSWOEC-QMMMGPOBSA-N 0 0 312.123 0.986 10 0 DCAERN Cc1cnc(CCN(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C)s1 ZINC000194038335 395786939 /nfs/dbraw/zinc/78/69/39/395786939.db2.gz ATPZCPNHYFPZDM-JTQLQIEISA-N 0 0 319.452 0.732 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000101563687 395765222 /nfs/dbraw/zinc/76/52/22/395765222.db2.gz BRZHECOVZXMLSK-LBPRGKRZSA-N 0 0 324.425 0.698 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1c2ccccc2C[C@H]1C(N)=O ZINC000101547955 395765225 /nfs/dbraw/zinc/76/52/25/395765225.db2.gz KNXMROSGGVVDKI-LBPRGKRZSA-N 0 0 318.377 0.527 10 0 DCAERN Cc1noc(CCNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000101617988 395765666 /nfs/dbraw/zinc/76/56/66/395765666.db2.gz RKBALVUBFKTPSI-UHFFFAOYSA-N 0 0 323.397 0.820 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193572360 395771871 /nfs/dbraw/zinc/77/18/71/395771871.db2.gz LVLULUONRKICQK-SECBINFHSA-N 0 0 310.741 0.411 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000193597112 395773846 /nfs/dbraw/zinc/77/38/46/395773846.db2.gz REHMKBBUBZJZQE-GFCCVEGCSA-N 0 0 316.365 0.802 10 0 DCAERN CN1CC[C@@H](CNC(=O)CSCC(N)=O)c2ccccc21 ZINC000193663876 395776409 /nfs/dbraw/zinc/77/64/09/395776409.db2.gz JCEZGLSLUCYZKD-NSHDSACASA-N 0 0 307.419 0.945 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCOC2CCCC2)cn1 ZINC000193779634 395778806 /nfs/dbraw/zinc/77/88/06/395778806.db2.gz VKQRUTRFORQSJZ-UHFFFAOYSA-N 0 0 309.370 0.710 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194637414 395803716 /nfs/dbraw/zinc/80/37/16/395803716.db2.gz HGZQNWBGESJDMD-JSGCOSHPSA-N 0 0 320.393 0.643 10 0 DCAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1cccnc1 ZINC000111229295 395803787 /nfs/dbraw/zinc/80/37/87/395803787.db2.gz XZCYJKHXWKFHPA-HNNXBMFYSA-N 0 0 315.377 0.295 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCCCNC1=O ZINC000047972112 395804369 /nfs/dbraw/zinc/80/43/69/395804369.db2.gz FZNBMTAPEAGFRH-ZDUSSCGKSA-N 0 0 314.345 0.181 10 0 DCAERN CCc1[nH]c(C(=O)NC[C@H]2CN(C)CCO2)c(C)c1C(=O)OC ZINC000194725060 395806073 /nfs/dbraw/zinc/80/60/73/395806073.db2.gz CQMUZAFQZGEOOV-NSHDSACASA-N 0 0 323.393 0.733 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN(CCO)CC(F)F)C1 ZINC000194855587 395810362 /nfs/dbraw/zinc/81/03/62/395810362.db2.gz UHDRUWOUSXPBMY-JTQLQIEISA-N 0 0 300.371 0.217 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccnc(C)n3)CCO2)c1 ZINC000112061008 395815275 /nfs/dbraw/zinc/81/52/75/395815275.db2.gz LKQJBWGULZSLFR-ZDUSSCGKSA-N 0 0 301.350 0.831 10 0 DCAERN CC(C)(C)NC(=O)CN(CCO)CCOCC(F)(F)F ZINC000112412724 395818002 /nfs/dbraw/zinc/81/80/02/395818002.db2.gz YSYGQHCOMJCPMZ-UHFFFAOYSA-N 0 0 300.321 0.774 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1)[C@H](C)CO ZINC000195293143 395823834 /nfs/dbraw/zinc/82/38/34/395823834.db2.gz CIOJFENOIJJJPN-GHMZBOCLSA-N 0 0 314.407 0.684 10 0 DCAERN CC1(CNC(=O)NC[C@@H](O)COc2ccc(F)cc2)COC1 ZINC000112753270 395824154 /nfs/dbraw/zinc/82/41/54/395824154.db2.gz GBDHWTJCBXUVOU-GFCCVEGCSA-N 0 0 312.341 0.901 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccccc2-n2cccn2)COC1 ZINC000112757990 395824226 /nfs/dbraw/zinc/82/42/26/395824226.db2.gz HCMREDMTTUYEAS-UHFFFAOYSA-N 0 0 314.345 0.964 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)COC1 ZINC000112758112 395825002 /nfs/dbraw/zinc/82/50/02/395825002.db2.gz RGNROBUDFBCEKS-UHFFFAOYSA-N 0 0 314.345 0.964 10 0 DCAERN Cc1csc([C@H]2CN(CC(=O)N3CCNC3=O)CCO2)n1 ZINC000195392576 395826083 /nfs/dbraw/zinc/82/60/83/395826083.db2.gz WCUOQPBQQFYIHI-SNVBAGLBSA-N 0 0 310.379 0.377 10 0 DCAERN COC(=O)C1=[N+]([O-])O[C@@H](C(=O)OC)[C@@H]1c1c[nH]c2ccccc21 ZINC000225385632 395859507 /nfs/dbraw/zinc/85/95/07/395859507.db2.gz PKXQSVAMHZSAJN-DGCLKSJQSA-O 0 0 319.293 0.754 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000049213493 395828848 /nfs/dbraw/zinc/82/88/48/395828848.db2.gz QTELWMJWXTZFPW-LLVKDONJSA-N 0 0 306.453 0.766 10 0 DCAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000113298337 395829323 /nfs/dbraw/zinc/82/93/23/395829323.db2.gz DVZWMYQUUUODIL-JTQLQIEISA-N 0 0 314.317 0.850 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000113298484 395829374 /nfs/dbraw/zinc/82/93/74/395829374.db2.gz LBDPUGORTLQAIL-NSHDSACASA-N 0 0 322.390 0.970 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000113298839 395829414 /nfs/dbraw/zinc/82/94/14/395829414.db2.gz RFETXZGYBOOLNJ-SECBINFHSA-N 0 0 314.317 0.850 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115842 395859731 /nfs/dbraw/zinc/85/97/31/395859731.db2.gz JNJDEAIAUVKJIN-JTQLQIEISA-N 0 0 313.304 0.350 10 0 DCAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000118115814 395859933 /nfs/dbraw/zinc/85/99/33/395859933.db2.gz BRMMNHBAKBXODG-AWEZNQCLSA-N 0 0 319.405 0.997 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115355 395860003 /nfs/dbraw/zinc/86/00/03/395860003.db2.gz RQLRAARSNWYUSL-GFCCVEGCSA-N 0 0 309.341 0.519 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000114841603 395836778 /nfs/dbraw/zinc/83/67/78/395836778.db2.gz GQEHPKAXFDDIPL-SNVBAGLBSA-N 0 0 303.322 0.093 10 0 DCAERN CN(CC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570339 395840777 /nfs/dbraw/zinc/84/07/77/395840777.db2.gz FNUVRMKEIHMRLS-LBPRGKRZSA-N 0 0 304.350 0.309 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000118115272 395860380 /nfs/dbraw/zinc/86/03/80/395860380.db2.gz MVYMQFSVDUDAOU-NSHDSACASA-N 0 0 309.341 0.519 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000116782221 395845414 /nfs/dbraw/zinc/84/54/14/395845414.db2.gz HDOLMHPGOXCDJO-UONOGXRCSA-N 0 0 319.409 0.612 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ncc(Br)cn2)C1 ZINC000116872934 395847694 /nfs/dbraw/zinc/84/76/94/395847694.db2.gz PFXJORYEVDBYSU-QMMMGPOBSA-N 0 0 321.200 0.367 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892079 395849066 /nfs/dbraw/zinc/84/90/66/395849066.db2.gz VOERAMHDFJEOFL-MFKMUULPSA-N 0 0 320.361 0.622 10 0 DCAERN CCN(CCCNC(=O)NCc1cscn1)S(C)(=O)=O ZINC000051310006 395849906 /nfs/dbraw/zinc/84/99/06/395849906.db2.gz OWVWAUCRQMDDML-UHFFFAOYSA-N 0 0 320.440 0.614 10 0 DCAERN CO[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CC[C@@H]1C ZINC000221262644 395850737 /nfs/dbraw/zinc/85/07/37/395850737.db2.gz LQLJBECFYBBVQM-WPRPVWTQSA-N 0 0 318.420 0.893 10 0 DCAERN COCCN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC000117424991 395853006 /nfs/dbraw/zinc/85/30/06/395853006.db2.gz XFYNNNCKORHBST-CYBMUJFWSA-N 0 0 306.410 0.940 10 0 DCAERN COCCN1CCN(C(=O)NCCc2ccccn2)C[C@@H]1C ZINC000117467500 395853222 /nfs/dbraw/zinc/85/32/22/395853222.db2.gz BFRXXEHUOCEQKH-AWEZNQCLSA-N 0 0 306.410 0.986 10 0 DCAERN Cc1cnn(CCNC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000117815520 395855129 /nfs/dbraw/zinc/85/51/29/395855129.db2.gz LEKBEGKVSOHGQX-UHFFFAOYSA-N 0 0 311.345 0.718 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)COC[C@H]1CCOC1)CC2 ZINC000117806548 395855307 /nfs/dbraw/zinc/85/53/07/395855307.db2.gz YZSJNXJWEFGEPH-NWDGAFQWSA-N 0 0 308.382 0.325 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc(CNC(N)=O)cc2)c1 ZINC000117819013 395855368 /nfs/dbraw/zinc/85/53/68/395855368.db2.gz CBCBYEPLMNNUJE-UHFFFAOYSA-N 0 0 301.350 0.790 10 0 DCAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000194359363 395794884 /nfs/dbraw/zinc/79/48/84/395794884.db2.gz ATIHAZKCDODGTJ-UHFFFAOYSA-N 0 0 322.752 0.411 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194629021 395802158 /nfs/dbraw/zinc/80/21/58/395802158.db2.gz WBJDTMNDLYKTQO-CYBMUJFWSA-N 0 0 305.378 0.172 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626729 395802237 /nfs/dbraw/zinc/80/22/37/395802237.db2.gz RQXCZRUICRMBQJ-MRXNPFEDSA-N 0 0 314.389 0.992 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCC1(O)CCCC1 ZINC000234613112 395889487 /nfs/dbraw/zinc/88/94/87/395889487.db2.gz AFVMONAWQLDLBN-WDEREUQCSA-N 0 0 305.396 0.553 10 0 DCAERN CC(C)(C)NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000053813963 395889649 /nfs/dbraw/zinc/88/96/49/395889649.db2.gz GKYMXNCYBDONLZ-UHFFFAOYSA-N 0 0 311.407 0.611 10 0 DCAERN Cc1ccoc1C(=O)NCCCNC(=O)NCc1ccnn1C ZINC000122773925 395889688 /nfs/dbraw/zinc/88/96/88/395889688.db2.gz AUJSWZROVPELJO-UHFFFAOYSA-N 0 0 319.365 0.941 10 0 DCAERN CC[C@H](CO)NC(=O)c1cnn2cc(Br)cnc12 ZINC000123754799 395896899 /nfs/dbraw/zinc/89/68/99/395896899.db2.gz RUQOEMKIWPGZHN-MRVPVSSYSA-N 0 0 313.155 0.993 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H](C)O1 ZINC000124054049 395900124 /nfs/dbraw/zinc/90/01/24/395900124.db2.gz ZTHJDQAEPCVIBR-BDAKNGLRSA-N 0 0 312.288 0.269 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000237017157 395901043 /nfs/dbraw/zinc/90/10/43/395901043.db2.gz QGCCXTZGXUHGKJ-IHRRRGAJSA-N 0 0 311.426 0.518 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000054814444 395905995 /nfs/dbraw/zinc/90/59/95/395905995.db2.gz DCMFLDRSDRBHGX-GFCCVEGCSA-N 0 0 317.345 0.710 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000125922552 395907532 /nfs/dbraw/zinc/90/75/32/395907532.db2.gz PORNDPOWROKBKL-UHFFFAOYSA-N 0 0 311.769 0.503 10 0 DCAERN C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCNC(=O)CC1 ZINC000054867682 395907773 /nfs/dbraw/zinc/90/77/73/395907773.db2.gz ZJOGNYOGEYUQFL-GFCCVEGCSA-N 0 0 307.369 0.695 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cn2ccnn2)C1)C(C)C ZINC000126145114 395910451 /nfs/dbraw/zinc/91/04/51/395910451.db2.gz KUFCVDLOUBTBNP-CHWSQXEVSA-N 0 0 323.397 0.897 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000126332022 395911737 /nfs/dbraw/zinc/91/17/37/395911737.db2.gz QJHYKNOGUZJWFX-LBPRGKRZSA-N 0 0 303.366 0.503 10 0 DCAERN Cn1ncc(C(=O)NC[C@@H]2CN(C)CCO2)c1Br ZINC000273289250 395912262 /nfs/dbraw/zinc/91/22/62/395912262.db2.gz XTVSSDQHQIWZJE-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000056414032 395930694 /nfs/dbraw/zinc/93/06/94/395930694.db2.gz UMTGHRFKVTYIIH-UHFFFAOYSA-N 0 0 305.382 0.409 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(F)cc2[nH]cnc21 ZINC000129395848 395919543 /nfs/dbraw/zinc/91/95/43/395919543.db2.gz CSJNAXBMQAELQR-NSHDSACASA-N 0 0 322.340 0.125 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000129247152 395919787 /nfs/dbraw/zinc/91/97/87/395919787.db2.gz AWVMFOXWPPQHAI-OAHLLOKOSA-N 0 0 322.405 0.898 10 0 DCAERN CSC[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000132679829 395927569 /nfs/dbraw/zinc/92/75/69/395927569.db2.gz YYDNNHJBVPFTBA-VXGBXAGGSA-N 0 0 302.440 0.864 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2CO)cc1 ZINC000227142849 395868172 /nfs/dbraw/zinc/86/81/72/395868172.db2.gz XEAFBSJOYJXIHS-MFKMUULPSA-N 0 0 312.391 0.438 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000228060258 395870578 /nfs/dbraw/zinc/87/05/78/395870578.db2.gz QNHGUCKUZLUPMH-SSDOTTSWSA-N 0 0 307.759 0.257 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000119879595 395878284 /nfs/dbraw/zinc/87/82/84/395878284.db2.gz KTEANAVUSYYSPW-GFCCVEGCSA-N 0 0 309.366 0.700 10 0 DCAERN Cc1cccc(N2N=C(C(=O)N[C@@H](C)C(N)=O)CCC2=O)c1 ZINC000053327831 395880278 /nfs/dbraw/zinc/88/02/78/395880278.db2.gz MUBKPWWDSZQCAS-JTQLQIEISA-N 0 0 302.334 0.468 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)[C@@H]1CCCO1 ZINC000120367595 395881231 /nfs/dbraw/zinc/88/12/31/395881231.db2.gz OQVDREHJLVUWEG-CABZTGNLSA-N 0 0 304.350 0.976 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000121625927 395884846 /nfs/dbraw/zinc/88/48/46/395884846.db2.gz VMHNMMYNDYNWDL-LLVKDONJSA-N 0 0 308.407 0.706 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCS1(=O)=O ZINC000122395156 395886497 /nfs/dbraw/zinc/88/64/97/395886497.db2.gz FXAVQOWPEXEEFE-LBPRGKRZSA-N 0 0 323.418 0.941 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cn1 ZINC000134451267 395931533 /nfs/dbraw/zinc/93/15/33/395931533.db2.gz YIVDJKQYUCLCGK-ZDUSSCGKSA-N 0 0 314.393 0.912 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663676 395933403 /nfs/dbraw/zinc/93/34/03/395933403.db2.gz IEQIMBSOHWEDTL-ZFWWWQNUSA-N 0 0 311.332 0.962 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NCc1cccnc1 ZINC000248859940 395998584 /nfs/dbraw/zinc/99/85/84/395998584.db2.gz RXSFSLLTNZOVFM-LZWOXQAQSA-N 0 0 317.389 0.971 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(CC)c2)C[C@@H]1C ZINC000135094447 395937227 /nfs/dbraw/zinc/93/72/27/395937227.db2.gz ZLVMKAYSQZHIGJ-ZDUSSCGKSA-N 0 0 322.409 0.655 10 0 DCAERN CNC(=O)c1cccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 ZINC000135510634 395940234 /nfs/dbraw/zinc/94/02/34/395940234.db2.gz IUSDYSOJEHDXEU-ZWNOBZJWSA-N 0 0 312.391 0.643 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)[C@@H]1CCCN1c1nccs1 ZINC000246074277 395941114 /nfs/dbraw/zinc/94/11/14/395941114.db2.gz DTXWIXICTUAQTP-STQMWFEESA-N 0 0 321.450 0.228 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000246144050 395942530 /nfs/dbraw/zinc/94/25/30/395942530.db2.gz CVRVLWZPIBKHAS-JHJVBQTASA-N 0 0 321.377 0.501 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000246360502 395948057 /nfs/dbraw/zinc/94/80/57/395948057.db2.gz FBWYYQIRYHYRGN-BPLDGKMQSA-N 0 0 305.378 0.275 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCCC[C@H]1C(=O)NC ZINC000274463153 395950433 /nfs/dbraw/zinc/95/04/33/395950433.db2.gz KSAIIULWGHUHFD-JTQLQIEISA-N 0 0 300.384 0.192 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)N1CCCCCC1 ZINC000058557314 395954840 /nfs/dbraw/zinc/95/48/40/395954840.db2.gz STPKLCNSLULAEE-GFCCVEGCSA-N 0 0 303.428 0.660 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000140241570 395956202 /nfs/dbraw/zinc/95/62/02/395956202.db2.gz WLIDLURNPWNGGU-QWHCGFSZSA-N 0 0 321.425 0.910 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)N1CCOCC1 ZINC000246924032 395960827 /nfs/dbraw/zinc/96/08/27/395960827.db2.gz KMBBRZKCBBOBTH-QLFBSQMISA-N 0 0 311.426 0.918 10 0 DCAERN Cn1cc(N2CCC[C@H](N3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248902525 396000347 /nfs/dbraw/zinc/00/03/47/396000347.db2.gz AMPVYVSVUPLMOP-HOCLYGCPSA-N 0 0 320.393 0.407 10 0 DCAERN CN(CC(=O)NC[C@H]1CCCC[C@H]1O)c1ncnc2nc[nH]c21 ZINC000246981724 395962912 /nfs/dbraw/zinc/96/29/12/395962912.db2.gz LXCVYWPWNXSUSM-GHMZBOCLSA-N 0 0 318.381 0.456 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000247002807 395963461 /nfs/dbraw/zinc/96/34/61/395963461.db2.gz KSAWVTDYXDMXFX-WDEREUQCSA-N 0 0 310.441 0.130 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1C ZINC000247212802 395969090 /nfs/dbraw/zinc/96/90/90/395969090.db2.gz UVANOGFSDOCWSJ-KBPBESRZSA-N 0 0 311.426 0.424 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)N1CCN(CC(F)F)CC1 ZINC000061776298 395970461 /nfs/dbraw/zinc/97/04/61/395970461.db2.gz FGPBEOUTZUPJQC-SNVBAGLBSA-N 0 0 304.341 0.247 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264105 395970929 /nfs/dbraw/zinc/97/09/29/395970929.db2.gz VORLECSLBXAIBF-NWDGAFQWSA-N 0 0 302.465 0.814 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247446205 395973592 /nfs/dbraw/zinc/97/35/92/395973592.db2.gz OPFOHWPTGQPBBB-BFHYXJOUSA-N 0 0 306.362 0.936 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866716 395974286 /nfs/dbraw/zinc/97/42/86/395974286.db2.gz JCEYHLABXOWRTL-VXGBXAGGSA-N 0 0 308.382 0.704 10 0 DCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000248982335 396001080 /nfs/dbraw/zinc/00/10/80/396001080.db2.gz VVJFGVUIHFQIQI-HZSPNIEDSA-N 0 0 319.409 0.906 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CSCC1=O ZINC000151073697 395978039 /nfs/dbraw/zinc/97/80/39/395978039.db2.gz MFPJEOANHASFEO-VIFPVBQESA-N 0 0 309.395 0.325 10 0 DCAERN CCS(=O)(=O)NCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247917085 395979403 /nfs/dbraw/zinc/97/94/03/395979403.db2.gz BFUDCRNCPCPOMV-UMVBOHGHSA-N 0 0 308.403 0.628 10 0 DCAERN CCCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000248106496 395982184 /nfs/dbraw/zinc/98/21/84/395982184.db2.gz LSOGZGMADVQUNB-CYBMUJFWSA-N 0 0 317.389 0.990 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCCNC3=O)c12 ZINC000064098697 395984784 /nfs/dbraw/zinc/98/47/84/395984784.db2.gz JMMMFJDMSDFKKG-NSHDSACASA-N 0 0 301.350 0.594 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2Cl)CCO1 ZINC000248572216 395989369 /nfs/dbraw/zinc/98/93/69/395989369.db2.gz RNYASSXDZMXEHJ-OLZOCXBDSA-N 0 0 316.760 0.959 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000248646761 395992014 /nfs/dbraw/zinc/99/20/14/395992014.db2.gz PMKOTZVWFFRLIZ-NEPJUHHUSA-N 0 0 303.428 0.597 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000151808217 395993401 /nfs/dbraw/zinc/99/34/01/395993401.db2.gz UJLHLGFMWVQCIM-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@H]2C1 ZINC000248664524 395993939 /nfs/dbraw/zinc/99/39/39/395993939.db2.gz JXXZYYUDEJCATP-KGLIPLIRSA-N 0 0 301.456 0.438 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC000276412663 395994550 /nfs/dbraw/zinc/99/45/50/395994550.db2.gz PKQKPKHPNGXHRF-PEXQALLHSA-N 0 0 306.318 0.792 10 0 DCAERN CC[C@H]1CN([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386432 396024153 /nfs/dbraw/zinc/02/41/53/396024153.db2.gz HZCAUYBPJQWJLY-UWVGGRQHSA-N 0 0 306.357 0.492 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000153440687 396024744 /nfs/dbraw/zinc/02/47/44/396024744.db2.gz SADQKJJRDWIRNZ-AWEZNQCLSA-N 0 0 318.439 0.828 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCNC[C@@H]1c1cccnc1 ZINC000261837632 396071193 /nfs/dbraw/zinc/07/11/93/396071193.db2.gz ZLCMJTTUEAAEEC-CQSZACIVSA-N 0 0 322.365 0.951 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000276743026 396025291 /nfs/dbraw/zinc/02/52/91/396025291.db2.gz ROZSXUGCRDSMKP-MRVWCRGKSA-N 0 0 320.393 0.868 10 0 DCAERN Cn1cc(CNC(=O)CCn2cncn2)c(C(F)(F)F)n1 ZINC000154016628 396028979 /nfs/dbraw/zinc/02/89/79/396028979.db2.gz UWLCJSNPBPHISJ-UHFFFAOYSA-N 0 0 302.260 0.737 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000067611737 396029229 /nfs/dbraw/zinc/02/92/29/396029229.db2.gz HCOSNDFZESGONB-ZIAGYGMSSA-N 0 0 323.418 0.829 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C)cn1 ZINC000154120929 396032049 /nfs/dbraw/zinc/03/20/49/396032049.db2.gz YJOHOKVRMSCFMS-WDEREUQCSA-N 0 0 321.381 0.215 10 0 DCAERN O=C(CCCOc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000154127930 396032067 /nfs/dbraw/zinc/03/20/67/396032067.db2.gz SOSQMGQGIYRETE-OAHLLOKOSA-N 0 0 322.405 0.655 10 0 DCAERN N#CC(=NNc1ccc(S(=O)(=O)N2CCCC2)cc1)C(N)=O ZINC000254658259 396032167 /nfs/dbraw/zinc/03/21/67/396032167.db2.gz MZVWWXDREQBHSQ-UHFFFAOYSA-N 0 0 321.362 0.248 10 0 DCAERN Cc1ccccc1SCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154131221 396032443 /nfs/dbraw/zinc/03/24/43/396032443.db2.gz HHMQEEIWHLIQCZ-AWEZNQCLSA-N 0 0 324.446 0.896 10 0 DCAERN O=C(C/C=C\c1ccc(F)cc1)NCCN1C(=O)CNC1=O ZINC000255891815 396032822 /nfs/dbraw/zinc/03/28/22/396032822.db2.gz YQJPBCGGGMPCPF-UPHRSURJSA-N 0 0 305.309 0.897 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000276974609 396040519 /nfs/dbraw/zinc/04/05/19/396040519.db2.gz XKNUTZFWGFTDPT-LBPRGKRZSA-N 0 0 304.350 0.524 10 0 DCAERN CC1(C)CN([C@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000155341327 396050418 /nfs/dbraw/zinc/05/04/18/396050418.db2.gz MYOXPURELNAKGH-LBPRGKRZSA-N 0 0 314.382 0.861 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@H](C)C2)on1 ZINC000155482148 396052153 /nfs/dbraw/zinc/05/21/53/396052153.db2.gz NCRQRHGHCWMKAI-NXEZZACHSA-N 0 0 301.368 0.429 10 0 DCAERN C[C@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCS1(=O)=O ZINC000155481546 396052421 /nfs/dbraw/zinc/05/24/21/396052421.db2.gz RLPSMKKQWIASPH-AAEUAGOBSA-N 0 0 317.382 0.684 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000155610437 396054981 /nfs/dbraw/zinc/05/49/81/396054981.db2.gz LRBKUTMKIFFOLH-CYBMUJFWSA-N 0 0 322.430 0.690 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155642000 396055884 /nfs/dbraw/zinc/05/58/84/396055884.db2.gz VKVUBUKOSHUQCP-LLVKDONJSA-N 0 0 324.402 0.947 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000155790742 396057199 /nfs/dbraw/zinc/05/71/99/396057199.db2.gz IHUMPHNKXMOREM-RBZFPXEDSA-N 0 0 302.440 0.468 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@H](O)C(C)C)c1 ZINC000155736613 396057295 /nfs/dbraw/zinc/05/72/95/396057295.db2.gz MSLSVCQPUZSHGP-AWEZNQCLSA-N 0 0 307.394 0.905 10 0 DCAERN CS(=O)(=O)CCN(C(=O)c1cnn2c1CCCC2)C1CC1 ZINC000155763751 396057493 /nfs/dbraw/zinc/05/74/93/396057493.db2.gz DOTXJDSGTQWCFP-UHFFFAOYSA-N 0 0 311.407 0.869 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCN(c4cccnn4)CC3)c2n1 ZINC000068675904 396061694 /nfs/dbraw/zinc/06/16/94/396061694.db2.gz BKOHYLAYPJOPII-UHFFFAOYSA-N 0 0 323.360 0.790 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@H]3CCOC3)CCO2)n1 ZINC000276489605 396003010 /nfs/dbraw/zinc/00/30/10/396003010.db2.gz AZTPUZPOFMIYBD-AAEUAGOBSA-N 0 0 306.366 0.479 10 0 DCAERN NC(=O)[C@@H]1CCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000249734099 396012332 /nfs/dbraw/zinc/01/23/32/396012332.db2.gz VFXJMZDFGYLUMW-HNNXBMFYSA-N 0 0 316.405 0.115 10 0 DCAERN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCO[C@@H](C(N)=O)C1 ZINC000250416909 396014226 /nfs/dbraw/zinc/01/42/26/396014226.db2.gz ASTJAHKQAOTNEE-CMPLNLGQSA-N 0 0 302.334 0.984 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc2c(c1)OCCCO2 ZINC000066775289 396014541 /nfs/dbraw/zinc/01/45/41/396014541.db2.gz VEOVSQAIKLMLOU-JTQLQIEISA-N 0 0 319.317 0.062 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251511136 396016684 /nfs/dbraw/zinc/01/66/84/396016684.db2.gz CDJQPKNEKJHZCK-QJPTWQEYSA-N 0 0 304.412 0.630 10 0 DCAERN CC(C)C[C@H](CNC(=O)c1cc[nH]c(=O)c1)N1CCOCC1 ZINC000152888938 396017921 /nfs/dbraw/zinc/01/79/21/396017921.db2.gz LGSWGQOZSNFFRD-CQSZACIVSA-N 0 0 307.394 0.852 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000153045357 396019437 /nfs/dbraw/zinc/01/94/37/396019437.db2.gz ZKRVCDLXPCFEEE-RHSMWYFYSA-N 0 0 317.389 0.905 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000153088263 396020413 /nfs/dbraw/zinc/02/04/13/396020413.db2.gz LNWBDBBPQNIWIQ-LDYMZIIASA-N 0 0 307.375 0.765 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000163685384 396086993 /nfs/dbraw/zinc/08/69/93/396086993.db2.gz AXOYBLLQXUUIDM-OCCSQVGLSA-N 0 0 318.373 0.755 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000163322371 396087010 /nfs/dbraw/zinc/08/70/10/396087010.db2.gz ZFONWCCVIIBTEK-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN O[C@@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000277845271 396090767 /nfs/dbraw/zinc/09/07/67/396090767.db2.gz QLXLHPMVLGCFCS-LBPRGKRZSA-N 0 0 318.299 0.817 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278930003 396141194 /nfs/dbraw/zinc/14/11/94/396141194.db2.gz JWMMEOTUINVTOW-KRWDZBQOSA-N 0 0 300.358 0.903 10 0 DCAERN CC(C)CN1C(=O)c2cccn2C[C@@H]1C(=O)N1CCN(C)CC1 ZINC000169780874 396091887 /nfs/dbraw/zinc/09/18/87/396091887.db2.gz CXZSUKDMBHRJBK-OAHLLOKOSA-N 0 0 318.421 0.743 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000170791564 396097780 /nfs/dbraw/zinc/09/77/80/396097780.db2.gz MMPLCYLURZJXSR-SNVBAGLBSA-N 0 0 315.329 0.948 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2csc(-c3cnccn3)n2)C1 ZINC000170853807 396098528 /nfs/dbraw/zinc/09/85/28/396098528.db2.gz LATABQWNGDEXPO-JTQLQIEISA-N 0 0 319.390 0.661 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000170857445 396098694 /nfs/dbraw/zinc/09/86/94/396098694.db2.gz HADZGVJTAIUVMZ-CYBMUJFWSA-N 0 0 312.391 0.726 10 0 DCAERN O=C(C[C@@H]1C[NH2+]CCO1)NC1CCN(c2ccccn2)CC1 ZINC000262143698 396103309 /nfs/dbraw/zinc/10/33/09/396103309.db2.gz MPVNVPUGJHZTAL-CQSZACIVSA-N 0 0 304.394 0.545 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)n1 ZINC000171030879 396103972 /nfs/dbraw/zinc/10/39/72/396103972.db2.gz ROPBBNVPYCRVAW-ZYHUDNBSSA-N 0 0 304.350 0.467 10 0 DCAERN COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171368621 396115382 /nfs/dbraw/zinc/11/53/82/396115382.db2.gz PHGUETLGUYWBLL-CQSZACIVSA-N 0 0 309.414 0.845 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000171400391 396116347 /nfs/dbraw/zinc/11/63/47/396116347.db2.gz XNHCWDGLMCSQLE-CYBMUJFWSA-N 0 0 311.451 0.995 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000171650330 396121336 /nfs/dbraw/zinc/12/13/36/396121336.db2.gz YJFVHXNMEYFNEL-CYBMUJFWSA-N 0 0 321.352 0.221 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(C)=O)C1 ZINC000278392927 396122430 /nfs/dbraw/zinc/12/24/30/396122430.db2.gz VGAMYZVLFUAKRA-HRCADAONSA-N 0 0 320.389 0.342 10 0 DCAERN CCOC(=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000171755983 396124289 /nfs/dbraw/zinc/12/42/89/396124289.db2.gz HBXLHCOCOCJQCT-CYBMUJFWSA-N 0 0 306.362 0.755 10 0 DCAERN CCc1nnc(CN(CCC(=O)OC)C[C@H]2CCCO2)n1C ZINC000172178500 396129437 /nfs/dbraw/zinc/12/94/37/396129437.db2.gz YPMCWCNXTPGSPV-GFCCVEGCSA-N 0 0 310.398 0.922 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2noc(C)n2)c1 ZINC000172314528 396130198 /nfs/dbraw/zinc/13/01/98/396130198.db2.gz HUCNEBXRHRCVLA-UHFFFAOYSA-N 0 0 324.362 0.525 10 0 DCAERN Cn1c(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)nc2ccccc21 ZINC000172523927 396132309 /nfs/dbraw/zinc/13/23/09/396132309.db2.gz PBPBNTZMJCIXPD-LLVKDONJSA-N 0 0 315.377 0.993 10 0 DCAERN COc1ccnc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173880121 396136102 /nfs/dbraw/zinc/13/61/02/396136102.db2.gz BTCVEKQSSCVJFG-WFASDCNBSA-N 0 0 305.378 0.883 10 0 DCAERN Cc1cnn(CC2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1 ZINC000262412023 396137551 /nfs/dbraw/zinc/13/75/51/396137551.db2.gz ZHLMFNRDLZOUCC-HIFRSBDPSA-N 0 0 306.410 0.807 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665552 396137944 /nfs/dbraw/zinc/13/79/44/396137944.db2.gz FPPXNQXZPZTMIY-LBPRGKRZSA-N 0 0 305.382 0.123 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC(=O)N1CCCC1 ZINC000174752057 396139292 /nfs/dbraw/zinc/13/92/92/396139292.db2.gz VQGHXYJWZRAKKL-LLVKDONJSA-N 0 0 321.425 0.890 10 0 DCAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCNC(=O)CC1 ZINC000163030410 396085103 /nfs/dbraw/zinc/08/51/03/396085103.db2.gz BZYPNUYJWRXZBI-YUTCNCBUSA-N 0 0 307.394 0.866 10 0 DCAERN NC(=O)COc1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077148410 396212831 /nfs/dbraw/zinc/21/28/31/396212831.db2.gz VUFKMKWZYZWGKW-AAEUAGOBSA-N 0 0 306.362 0.832 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263232481 396207876 /nfs/dbraw/zinc/20/78/76/396207876.db2.gz NNXRBONICHIOJZ-QWRGUYRKSA-N 0 0 303.353 0.747 10 0 DCAERN NC(=O)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000176205772 396151309 /nfs/dbraw/zinc/15/13/09/396151309.db2.gz YNNDAGBJIVPHBY-MWLCHTKSSA-N 0 0 309.753 0.509 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCCn2ncnc21 ZINC000176323100 396153984 /nfs/dbraw/zinc/15/39/84/396153984.db2.gz NIURQGCUUSPWQO-LBPRGKRZSA-N 0 0 317.324 0.798 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)NCC(=O)N(C)C)C1 ZINC000176416456 396154950 /nfs/dbraw/zinc/15/49/50/396154950.db2.gz NXGVSDNAWFGHLZ-LBPRGKRZSA-N 0 0 320.393 0.661 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)c(C)n1 ZINC000176537804 396156559 /nfs/dbraw/zinc/15/65/59/396156559.db2.gz DVCNWFKBJULPFP-UHFFFAOYSA-N 0 0 318.377 0.766 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NCCc1cc(F)ccc1F ZINC000177120418 396167270 /nfs/dbraw/zinc/16/72/70/396167270.db2.gz PKFXBZBGWSTCSE-QMMMGPOBSA-N 0 0 306.334 0.561 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000177210795 396168813 /nfs/dbraw/zinc/16/88/13/396168813.db2.gz VPHDRZFJGAPUBH-LBPRGKRZSA-N 0 0 316.413 0.689 10 0 DCAERN CCc1cc(N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)ncn1 ZINC000177185938 396169345 /nfs/dbraw/zinc/16/93/45/396169345.db2.gz JASLNZQTYFDYTA-SNVBAGLBSA-N 0 0 320.397 0.181 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC000074750611 396171294 /nfs/dbraw/zinc/17/12/94/396171294.db2.gz ORJWHUOKGGXBAL-LBPRGKRZSA-N 0 0 317.393 0.675 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@H](C)CO[C@H]3CCOC3)c2n1 ZINC000177374863 396173237 /nfs/dbraw/zinc/17/32/37/396173237.db2.gz HBQMVKSUACERCU-RYUDHWBXSA-N 0 0 304.350 0.962 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177380312 396173332 /nfs/dbraw/zinc/17/33/32/396173332.db2.gz JSAOUMPONZQTKV-HBNTYKKESA-N 0 0 308.386 0.715 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177437229 396175724 /nfs/dbraw/zinc/17/57/24/396175724.db2.gz ZRVDMSBMGXFSNK-VXGBXAGGSA-N 0 0 319.361 0.640 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000177605397 396179625 /nfs/dbraw/zinc/17/96/25/396179625.db2.gz YCYJXOGELLGTOB-NWDGAFQWSA-N 0 0 323.368 0.678 10 0 DCAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177633240 396180364 /nfs/dbraw/zinc/18/03/64/396180364.db2.gz XVTCCCYYTLUMAQ-LBPRGKRZSA-N 0 0 324.344 0.829 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633296 396180553 /nfs/dbraw/zinc/18/05/53/396180553.db2.gz RSIBFPSNRIVBGZ-LLVKDONJSA-N 0 0 317.324 0.795 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000177793241 396183815 /nfs/dbraw/zinc/18/38/15/396183815.db2.gz AGSJBDUYIWXSEA-RYUDHWBXSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000177804475 396184069 /nfs/dbraw/zinc/18/40/69/396184069.db2.gz VVTAVLRMYIDUGH-QWRGUYRKSA-N 0 0 317.349 0.339 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)[C@H](C)CO ZINC000177789763 396184097 /nfs/dbraw/zinc/18/40/97/396184097.db2.gz OYKRZRWKAOARSB-GHMZBOCLSA-N 0 0 305.378 0.704 10 0 DCAERN O=C(CNC(=O)[C@@H]1CC(F)(F)CN1)NCCc1ccccc1 ZINC000262905165 396190779 /nfs/dbraw/zinc/19/07/79/396190779.db2.gz FBJRCJPWQWCTDJ-LBPRGKRZSA-N 0 0 311.332 0.459 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000075980211 396190974 /nfs/dbraw/zinc/19/09/74/396190974.db2.gz LVACZLQUEBFFBL-IONNQARKSA-N 0 0 303.409 0.864 10 0 DCAERN O=C1NCC[C@H]1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000178204450 396191316 /nfs/dbraw/zinc/19/13/16/396191316.db2.gz YXOPJBBQRWXIKC-CYBMUJFWSA-N 0 0 307.781 0.873 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)[nH]1 ZINC000262960293 396194552 /nfs/dbraw/zinc/19/45/52/396194552.db2.gz KRVBEFZGXZXGRE-BDAKNGLRSA-N 0 0 301.297 0.010 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1 ZINC000076099724 396196606 /nfs/dbraw/zinc/19/66/06/396196606.db2.gz OLVYAHFVOBEWGS-PELKAZGASA-N 0 0 300.322 0.434 10 0 DCAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC(F)(F)CN1 ZINC000263097202 396201277 /nfs/dbraw/zinc/20/12/77/396201277.db2.gz YZKFVUPVUKLFDP-BDAKNGLRSA-N 0 0 315.286 0.984 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076397911 396203287 /nfs/dbraw/zinc/20/32/87/396203287.db2.gz BDHZFHQEWVKEPU-SNVBAGLBSA-N 0 0 302.338 0.104 10 0 DCAERN Cc1cccc(CNC(=O)NCCNC(=O)c2ccn[nH]2)n1 ZINC000181031138 396236206 /nfs/dbraw/zinc/23/62/06/396236206.db2.gz XRPDVBZNWROVGJ-UHFFFAOYSA-N 0 0 302.338 0.342 10 0 DCAERN CC(C)[C@@H](CNC(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000182148230 396246848 /nfs/dbraw/zinc/24/68/48/396246848.db2.gz YILIPIWKUXQMJO-CQSZACIVSA-N 0 0 324.429 0.324 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000264119665 396256019 /nfs/dbraw/zinc/25/60/19/396256019.db2.gz CBZDHCAJMHDJOZ-JOYOIKCWSA-N 0 0 317.345 0.757 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000078876540 396256372 /nfs/dbraw/zinc/25/63/72/396256372.db2.gz BWMFJEDLESCPNO-MELADBBJSA-N 0 0 310.394 0.509 10 0 DCAERN CCC[C@@H](C)N1C[C@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182911282 396256789 /nfs/dbraw/zinc/25/67/89/396256789.db2.gz PABSKZLCWGMDJT-CHWSQXEVSA-N 0 0 307.398 0.822 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000182957754 396257495 /nfs/dbraw/zinc/25/74/95/396257495.db2.gz HMNBXMCMEPJZLV-AWEZNQCLSA-N 0 0 311.426 0.864 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NCCCn3ccnn3)nc2n1 ZINC000182945714 396257651 /nfs/dbraw/zinc/25/76/51/396257651.db2.gz YVVKPBVTJQMTSY-UHFFFAOYSA-N 0 0 300.326 0.153 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1COc2ccccc2C1 ZINC000282132429 396265819 /nfs/dbraw/zinc/26/58/19/396265819.db2.gz HEABIYBVXIDFBK-WCFLWFBJSA-N 0 0 303.362 0.956 10 0 DCAERN CS(=O)(=O)c1ccccc1NC(=O)NCCCn1ccnn1 ZINC000183325290 396267446 /nfs/dbraw/zinc/26/74/46/396267446.db2.gz QVCIXFFWOLFKHE-UHFFFAOYSA-N 0 0 323.378 0.893 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2noc(-c3ccccc3C)n2)CCO1 ZINC000184051605 396282944 /nfs/dbraw/zinc/28/29/44/396282944.db2.gz ZBGKMNPPNCGMEO-ZDUSSCGKSA-N 0 0 316.361 0.992 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)c(C)c1 ZINC000183784034 396274670 /nfs/dbraw/zinc/27/46/70/396274670.db2.gz DBVODMFHOCIVQA-GWCFXTLKSA-N 0 0 308.309 0.601 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H]1CN1CCOCC1)NCC1CC1 ZINC000183775208 396274674 /nfs/dbraw/zinc/27/46/74/396274674.db2.gz OBDVWSGQCSWCBZ-CQSZACIVSA-N 0 0 324.425 0.019 10 0 DCAERN O=C(Cc1ccccc1)NCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000183828152 396275951 /nfs/dbraw/zinc/27/59/51/396275951.db2.gz YYOFOVDWIRIKSA-KRWDZBQOSA-N 0 0 318.373 0.363 10 0 DCAERN CCN(CCC(=O)OC)C(=O)Cn1cnc2ccccc2c1=O ZINC000077381088 396220188 /nfs/dbraw/zinc/22/01/88/396220188.db2.gz MFNCIJBJARHMEU-UHFFFAOYSA-N 0 0 317.345 0.808 10 0 DCAERN COc1cccc(C(=O)NCCS(=O)(=O)NC(C)C)c1F ZINC000179170268 396223280 /nfs/dbraw/zinc/22/32/80/396223280.db2.gz PAPJWAKVVUJSSC-UHFFFAOYSA-N 0 0 318.370 0.892 10 0 DCAERN COC(=O)CCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000179217496 396225133 /nfs/dbraw/zinc/22/51/33/396225133.db2.gz MWEGCHXRCMFYIR-UHFFFAOYSA-N 0 0 306.322 0.911 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](O)C2)[C@H]1c1cccnc1 ZINC000077612447 396227146 /nfs/dbraw/zinc/22/71/46/396227146.db2.gz IEMRNDNSRMPDKT-KCQAQPDRSA-N 0 0 303.362 0.584 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000280882665 396227582 /nfs/dbraw/zinc/22/75/82/396227582.db2.gz FRDCLGBVRWRORW-UHFFFAOYSA-N 0 0 324.402 0.301 10 0 DCAERN COc1cccc(F)c1[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC000179936144 396229697 /nfs/dbraw/zinc/22/96/97/396229697.db2.gz PLOAPSHCYUKDNF-JTQLQIEISA-N 0 0 309.341 0.443 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(C)C(=O)C1 ZINC000179775332 396229900 /nfs/dbraw/zinc/22/99/00/396229900.db2.gz HPLQDONFSIQXSN-UHFFFAOYSA-N 0 0 307.398 0.453 10 0 DCAERN CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000077778120 396232868 /nfs/dbraw/zinc/23/28/68/396232868.db2.gz VPVNCGYKPSHJSE-STQMWFEESA-N 0 0 307.398 0.906 10 0 DCAERN O=C(NCCCN1CCOCC1)NCc1cn2c(n1)CCCC2 ZINC000263806375 396233259 /nfs/dbraw/zinc/23/32/59/396233259.db2.gz XWICQKSDFIEHKJ-UHFFFAOYSA-N 0 0 321.425 0.741 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H](C)C[S@](C)=O)cc1 ZINC000185052623 396315942 /nfs/dbraw/zinc/31/59/42/396315942.db2.gz VUKULZAQXFLSIH-UZJPJQLHSA-N 0 0 312.391 0.308 10 0 DCAERN CCc1cccc(OC[C@H](O)CN2CC(NC(=O)COC)C2)c1 ZINC000185087329 396316899 /nfs/dbraw/zinc/31/68/99/396316899.db2.gz LBQQHCYVXYHMGQ-OAHLLOKOSA-N 0 0 322.405 0.436 10 0 DCAERN CSC[C@](C)(O)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083750186 396317430 /nfs/dbraw/zinc/31/74/30/396317430.db2.gz FEODECBDHRNQQM-ZWNOBZJWSA-N 0 0 313.427 0.835 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190929 396321074 /nfs/dbraw/zinc/32/10/74/396321074.db2.gz CIJUOCDFNVHOFO-NEPJUHHUSA-N 0 0 310.398 0.313 10 0 DCAERN CCOC(=O)[C@@H](CC)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184074905 396284051 /nfs/dbraw/zinc/28/40/51/396284051.db2.gz RXKNGILOCUZQDY-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN CCc1nnc(CN2CCN(c3cc(OC)ncn3)CC2)n1C ZINC000184081027 396284586 /nfs/dbraw/zinc/28/45/86/396284586.db2.gz FAXOWIHQQRELGT-UHFFFAOYSA-N 0 0 317.397 0.498 10 0 DCAERN CN1CCO[C@@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514675 396286779 /nfs/dbraw/zinc/28/67/79/396286779.db2.gz OFNZKXOGVDYLEK-QMMMGPOBSA-N 0 0 316.287 0.886 10 0 DCAERN NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cn1 ZINC000184211860 396287661 /nfs/dbraw/zinc/28/76/61/396287661.db2.gz UYWWWUGJEWXBCK-UHFFFAOYSA-N 0 0 316.292 0.688 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC2Cc3ccccc3C2)cn1 ZINC000184231986 396288362 /nfs/dbraw/zinc/28/83/62/396288362.db2.gz HEUQBCHGQUTTHH-UHFFFAOYSA-N 0 0 313.361 0.918 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC(=O)N1C ZINC000282423935 396289319 /nfs/dbraw/zinc/28/93/19/396289319.db2.gz QMZJTFVSUADENJ-GXFFZTMASA-N 0 0 317.345 0.465 10 0 DCAERN O=C(NCC(F)(F)CO)NC1CCN(c2ccccn2)CC1 ZINC000184380170 396293137 /nfs/dbraw/zinc/29/31/37/396293137.db2.gz BZFJFMJACJCAAD-UHFFFAOYSA-N 0 0 314.336 0.977 10 0 DCAERN O=S1(=O)CC[C@H](N2CCN(c3ccnc(C4CC4)n3)CC2)C1 ZINC000264618483 396295831 /nfs/dbraw/zinc/29/58/31/396295831.db2.gz HNBWEYNFSABETP-ZDUSSCGKSA-N 0 0 322.434 0.663 10 0 DCAERN COC[C@@H](N[C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546817 396298512 /nfs/dbraw/zinc/29/85/12/396298512.db2.gz OIVZFVCNXXKQOZ-DGCLKSJQSA-N 0 0 323.393 0.682 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NC(C)(C)CC(N)=O)s2)cn1 ZINC000184616167 396300337 /nfs/dbraw/zinc/30/03/37/396300337.db2.gz PASWMCRHOMLFFW-UHFFFAOYSA-N 0 0 307.379 0.927 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000184749107 396305161 /nfs/dbraw/zinc/30/51/61/396305161.db2.gz ZRSQMHXAZXJLHM-CYBMUJFWSA-N 0 0 308.444 0.395 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184787469 396305384 /nfs/dbraw/zinc/30/53/84/396305384.db2.gz FSYDACWWWWXFRW-ZYHUDNBSSA-N 0 0 304.350 0.892 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000185171509 396320569 /nfs/dbraw/zinc/32/05/69/396320569.db2.gz ZSYUEQJOSMHCFZ-GHMZBOCLSA-N 0 0 316.361 0.863 10 0 DCAERN CC1(C)CN(C(=O)CCCCc2c[nH]nn2)CCS1(=O)=O ZINC000184862244 396308765 /nfs/dbraw/zinc/30/87/65/396308765.db2.gz IVOWMACEVSMSKS-UHFFFAOYSA-N 0 0 314.411 0.553 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc21 ZINC000184868498 396309455 /nfs/dbraw/zinc/30/94/55/396309455.db2.gz AILIAFBAKXWLFJ-CABCVRRESA-N 0 0 316.361 0.988 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000185452493 396328090 /nfs/dbraw/zinc/32/80/90/396328090.db2.gz HGNRDKWOWHDJCI-UONOGXRCSA-N 0 0 312.410 0.612 10 0 DCAERN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185241237 396323276 /nfs/dbraw/zinc/32/32/76/396323276.db2.gz YPAPXKHECILUPS-DGCLKSJQSA-N 0 0 308.382 0.548 10 0 DCAERN CCNC(=O)NC(=O)CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185279873 396323992 /nfs/dbraw/zinc/32/39/92/396323992.db2.gz PRKSKNKOYCBPMC-HXUWFJFHSA-N 0 0 303.428 0.455 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000185408732 396326928 /nfs/dbraw/zinc/32/69/28/396326928.db2.gz DFMDSVPKPJMLSA-ZDUSSCGKSA-N 0 0 317.389 0.873 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC(F)F ZINC000185545043 396330057 /nfs/dbraw/zinc/33/00/57/396330057.db2.gz OAANNJNQONKLRT-SSDOTTSWSA-N 0 0 312.280 0.358 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000185677244 396332748 /nfs/dbraw/zinc/33/27/48/396332748.db2.gz ZCZFKGDCQRELTK-RYUDHWBXSA-N 0 0 306.428 0.612 10 0 DCAERN COc1cc(N2CCN(C(=O)c3nnc(C)s3)CC2)ncn1 ZINC000185906694 396336617 /nfs/dbraw/zinc/33/66/17/396336617.db2.gz JUKCXFIGTGNVBB-UHFFFAOYSA-N 0 0 320.378 0.608 10 0 DCAERN CCN(C)C(=O)CNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185992306 396338261 /nfs/dbraw/zinc/33/82/61/396338261.db2.gz MOFBPANMKISIEX-UHFFFAOYSA-N 0 0 308.791 0.139 10 0 DCAERN C[C@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265708560 396338474 /nfs/dbraw/zinc/33/84/74/396338474.db2.gz VBYLUFUUFGEOFS-GHMZBOCLSA-N 0 0 300.384 0.100 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000265671852 396335447 /nfs/dbraw/zinc/33/54/47/396335447.db2.gz GTASFWMWPJWOKK-JQWIXIFHSA-N 0 0 305.382 0.718 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000186232739 396345616 /nfs/dbraw/zinc/34/56/16/396345616.db2.gz PMAQWNDUGQBYFR-JTQLQIEISA-N 0 0 315.395 0.216 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)N1CCN(C2CC2)CC1 ZINC000186254011 396345973 /nfs/dbraw/zinc/34/59/73/396345973.db2.gz UKGFWHAXBZIPHB-UHFFFAOYSA-N 0 0 317.455 0.691 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1CC ZINC000186125149 396341606 /nfs/dbraw/zinc/34/16/06/396341606.db2.gz IKNYYLXRSRPSIN-LBPRGKRZSA-N 0 0 324.381 0.572 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000186693314 396355265 /nfs/dbraw/zinc/35/52/65/396355265.db2.gz ZIGMXHZYBCVHKH-UHFFFAOYSA-N 0 0 308.378 0.930 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c(C)n1 ZINC000186686536 396355485 /nfs/dbraw/zinc/35/54/85/396355485.db2.gz OYLCJTJDMZCRHY-AWEZNQCLSA-N 0 0 316.405 0.735 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000187029099 396362176 /nfs/dbraw/zinc/36/21/76/396362176.db2.gz FUIGJVDEUPASCH-KGLIPLIRSA-N 0 0 320.393 0.973 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962630 396365750 /nfs/dbraw/zinc/36/57/50/396365750.db2.gz NNHZGDSAOUOTPN-AXFHLTTASA-N 0 0 307.354 0.408 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)Nc3ncccn3)CC2)n[nH]1 ZINC000187263944 396366099 /nfs/dbraw/zinc/36/60/99/396366099.db2.gz VUYTUOJKHOHCCB-GFCCVEGCSA-N 0 0 315.381 0.657 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)o1 ZINC000265908174 396349101 /nfs/dbraw/zinc/34/91/01/396349101.db2.gz XPKBXHWYFUZXGR-DTORHVGOSA-N 0 0 302.352 0.437 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186395710 396349213 /nfs/dbraw/zinc/34/92/13/396349213.db2.gz VNCSSCJENYUYSQ-CQSZACIVSA-N 0 0 316.405 0.989 10 0 DCAERN C[C@H](C(=O)N1CCCN(c2ccccn2)CC1)S(C)(=O)=O ZINC000186394908 396349257 /nfs/dbraw/zinc/34/92/57/396349257.db2.gz KVBDDCFRDAPYCI-GFCCVEGCSA-N 0 0 311.407 0.553 10 0 DCAERN CC1(CO)CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000186393849 396349513 /nfs/dbraw/zinc/34/95/13/396349513.db2.gz WSYUJIPJRHSCJE-UHFFFAOYSA-N 0 0 312.391 0.569 10 0 DCAERN CNC(=O)C1(C(=O)N2CCCN(c3ccccn3)CC2)CC1 ZINC000186446610 396349910 /nfs/dbraw/zinc/34/99/10/396349910.db2.gz FXJWZNHNTQHWRR-UHFFFAOYSA-N 0 0 302.378 0.647 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2CCCc3c(O)cccc32)[C@@H]1C(N)=O ZINC000285674525 396351266 /nfs/dbraw/zinc/35/12/66/396351266.db2.gz YLZYPGBUKPBOIW-DGFSRKRXSA-N 0 0 318.373 0.913 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)C1 ZINC000188558008 396383732 /nfs/dbraw/zinc/38/37/32/396383732.db2.gz ZSRKXIFCLYPTLA-OAHLLOKOSA-N 0 0 310.394 0.651 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1oc(CC(C)C)nc1C ZINC000188732705 396385022 /nfs/dbraw/zinc/38/50/22/396385022.db2.gz IOWANRSKKWJUBM-UHFFFAOYSA-N 0 0 317.411 0.851 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188834287 396387103 /nfs/dbraw/zinc/38/71/03/396387103.db2.gz LARPVYDCDATPRK-UHFFFAOYSA-N 0 0 324.425 0.459 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)CC1=O ZINC000188858215 396388155 /nfs/dbraw/zinc/38/81/55/396388155.db2.gz PNIDBDURZRRQIW-RWMBFGLXSA-N 0 0 309.410 0.761 10 0 DCAERN CSC1(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000189030839 396389994 /nfs/dbraw/zinc/38/99/94/396389994.db2.gz LGENYZVWSXZYDB-NSHDSACASA-N 0 0 318.464 0.909 10 0 DCAERN O=S(=O)(CCc1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000189616499 396397077 /nfs/dbraw/zinc/39/70/77/396397077.db2.gz IEBGCILOXZXTMM-JTQLQIEISA-N 0 0 312.420 0.817 10 0 DCAERN Cc1nn(C)cc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000189707478 396397885 /nfs/dbraw/zinc/39/78/85/396397885.db2.gz UHHYOCNWYXURKU-FZMZJTMJSA-N 0 0 307.398 0.913 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1=O ZINC000189758875 396398484 /nfs/dbraw/zinc/39/84/84/396398484.db2.gz SUJHIAPLZDUXKH-SECBINFHSA-N 0 0 321.299 0.088 10 0 DCAERN CCN1CN(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000189879977 396400191 /nfs/dbraw/zinc/40/01/91/396400191.db2.gz PNEWULHSZDWVCY-SNVBAGLBSA-N 0 0 307.398 0.799 10 0 DCAERN CCN1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1=O ZINC000190032694 396402330 /nfs/dbraw/zinc/40/23/30/396402330.db2.gz LMQPUJJVCLWWPS-LBPRGKRZSA-N 0 0 303.366 0.492 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190222374 396403273 /nfs/dbraw/zinc/40/32/73/396403273.db2.gz BKIRLJAYIFOUSE-CYBMUJFWSA-N 0 0 324.402 0.921 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190354415 396405142 /nfs/dbraw/zinc/40/51/42/396405142.db2.gz NBSZLDXCZDVUBM-GFCCVEGCSA-N 0 0 306.362 0.637 10 0 DCAERN CCN1CN(C(=O)[C@H]2COc3ccc(OC)cc3C2)CC1=O ZINC000190480691 396406497 /nfs/dbraw/zinc/40/64/97/396406497.db2.gz JWGRWMJBDSOMNE-GFCCVEGCSA-N 0 0 304.346 0.895 10 0 DCAERN CCN1CN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)CC1=O ZINC000190480708 396406585 /nfs/dbraw/zinc/40/65/85/396406585.db2.gz JWGRWMJBDSOMNE-LBPRGKRZSA-N 0 0 304.346 0.895 10 0 DCAERN CCN1CN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1=O ZINC000190514654 396407245 /nfs/dbraw/zinc/40/72/45/396407245.db2.gz WJOOXQAMEPNWAY-ZDUSSCGKSA-N 0 0 307.350 0.682 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 ZINC000190506040 396407329 /nfs/dbraw/zinc/40/73/29/396407329.db2.gz YATVAAXZBCADCS-QRJNDHJOSA-N 0 0 321.421 0.761 10 0 DCAERN CCN1CN(C(=O)C[C@H](NC(C)=O)c2ccccc2)CC1=O ZINC000190577254 396408345 /nfs/dbraw/zinc/40/83/45/396408345.db2.gz NGQVPASWSJEIGJ-AWEZNQCLSA-N 0 0 303.362 0.902 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190675949 396409594 /nfs/dbraw/zinc/40/95/94/396409594.db2.gz NIEJMPCKSPQDFO-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1c(F)cccc1F ZINC000190680326 396410179 /nfs/dbraw/zinc/41/01/79/396410179.db2.gz FWHRXFVVUZSPCM-MRVPVSSYSA-N 0 0 311.288 0.640 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)N1CCCNC(=O)[C@H]1C)CC2 ZINC000190683226 396410236 /nfs/dbraw/zinc/41/02/36/396410236.db2.gz LBWCLMZTKVYNHD-GFCCVEGCSA-N 0 0 315.373 0.621 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCCC[C@H]2C)CC1=O ZINC000190764324 396411072 /nfs/dbraw/zinc/41/10/72/396411072.db2.gz WERBALUMBRBMAH-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2cc(C)on2)CC1=O ZINC000190780975 396411270 /nfs/dbraw/zinc/41/12/70/396411270.db2.gz MZYYZSXSHKYACF-UHFFFAOYSA-N 0 0 310.354 0.102 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)N3CCOCC3)CCO2)cn1 ZINC000190797670 396411665 /nfs/dbraw/zinc/41/16/65/396411665.db2.gz TWRMXZVQOBSPOF-CQSZACIVSA-N 0 0 308.382 0.135 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000190986843 396413836 /nfs/dbraw/zinc/41/38/36/396413836.db2.gz PCPMQDGRSBHMBC-SSDOTTSWSA-N 0 0 318.786 0.216 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCN3CCC2CC3)c1Cl ZINC000191091799 396415087 /nfs/dbraw/zinc/41/50/87/396415087.db2.gz AFCJWJNDHPKRLS-UHFFFAOYSA-N 0 0 304.803 0.542 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)CCNS(C)(=O)=O ZINC000191448963 396419822 /nfs/dbraw/zinc/41/98/22/396419822.db2.gz YQFHTPJKEIJGMH-GFCCVEGCSA-N 0 0 312.391 0.874 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)CC1=O ZINC000191517232 396420605 /nfs/dbraw/zinc/42/06/05/396420605.db2.gz BTEBDCIQAJJMHU-UHFFFAOYSA-N 0 0 316.361 0.219 10 0 DCAERN CCN1CN(C[C@H](O)COCc2cccc(OC)c2)CC1=O ZINC000191549369 396421509 /nfs/dbraw/zinc/42/15/09/396421509.db2.gz HKCMIFYLXRIGLY-AWEZNQCLSA-N 0 0 308.378 0.694 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000191568396 396422156 /nfs/dbraw/zinc/42/21/56/396422156.db2.gz HQOAAWYAINRNMD-LBPRGKRZSA-N 0 0 305.378 0.708 10 0 DCAERN CCN1CN(CC(=O)N2CC(=O)Nc3ccccc32)CC1=O ZINC000191570307 396422193 /nfs/dbraw/zinc/42/21/93/396422193.db2.gz CWOXKKWOXHFNFJ-UHFFFAOYSA-N 0 0 302.334 0.093 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)NCC1CC1 ZINC000191753305 396424091 /nfs/dbraw/zinc/42/40/91/396424091.db2.gz WUYGQTGYRLNRHV-AGIUHOORSA-N 0 0 308.378 0.845 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000191856270 396425809 /nfs/dbraw/zinc/42/58/09/396425809.db2.gz CLRUHVINGHHKPS-ZDUSSCGKSA-N 0 0 303.366 0.040 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCc2c1cc(F)cc2F ZINC000191935887 396426894 /nfs/dbraw/zinc/42/68/94/396426894.db2.gz JEVUADYEMSWBPO-UHFFFAOYSA-N 0 0 323.299 0.825 10 0 DCAERN COC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000192676879 396435157 /nfs/dbraw/zinc/43/51/57/396435157.db2.gz XMDPGSLEKIMIDI-LBPRGKRZSA-N 0 0 304.346 0.979 10 0 DCAERN COCCN1CCCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1=O ZINC000192809132 396437992 /nfs/dbraw/zinc/43/79/92/396437992.db2.gz VBMWUDIPIJDJLY-GFCCVEGCSA-N 0 0 308.382 0.732 10 0 DCAERN COc1ccnc(NC2CCN(Cc3ncnn3C)CC2)n1 ZINC000192861994 396438700 /nfs/dbraw/zinc/43/87/00/396438700.db2.gz IZRXRHXFKIADDR-UHFFFAOYSA-N 0 0 303.370 0.690 10 0 DCAERN CN1CCCN(C(=O)Nc2cccc(-n3ccnn3)c2)CC1=O ZINC000188102120 396379251 /nfs/dbraw/zinc/37/92/51/396379251.db2.gz WIGVFPPSVFYNHY-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C[C@@H]2C(N)=O)cn1 ZINC000286191207 396379900 /nfs/dbraw/zinc/37/99/00/396379900.db2.gz AWDPRLYXJJCGAU-SEBNEYGDSA-N 0 0 316.405 0.884 10 0 DCAERN CC(C)OC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCO1 ZINC000372212420 396497343 /nfs/dbraw/zinc/49/73/43/396497343.db2.gz SFVYKQCKMJAVGM-OLZOCXBDSA-N 0 0 306.428 0.841 10 0 DCAERN CN(c1nc(CN2CCC[C@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145692 396499768 /nfs/dbraw/zinc/49/97/68/396499768.db2.gz AHVKCJSSMMBUMX-CQSZACIVSA-N 0 0 310.423 0.554 10 0 DCAERN CN(c1nc(CN2CCC[C@@](O)(C(N)=O)C2)cs1)C1CC1 ZINC000515145691 396499941 /nfs/dbraw/zinc/49/99/41/396499941.db2.gz AHVKCJSSMMBUMX-AWEZNQCLSA-N 0 0 310.423 0.554 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1C[C@@]12CCOC2 ZINC000372256861 396500395 /nfs/dbraw/zinc/50/03/95/396500395.db2.gz YMFZOPLESQPRSI-WMLDXEAASA-N 0 0 317.389 0.961 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000289007590 396452496 /nfs/dbraw/zinc/45/24/96/396452496.db2.gz UOFJPNBLVFOQRB-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@@H](C)S1(=O)=O ZINC000289452441 396460353 /nfs/dbraw/zinc/46/03/53/396460353.db2.gz GBHXSWIBKKKVLY-NXEZZACHSA-N 0 0 318.420 0.465 10 0 DCAERN O=C(NC[C@H](O)C1CC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000371803432 396477115 /nfs/dbraw/zinc/47/71/15/396477115.db2.gz PKXOPPMYZZXRHL-KBPBESRZSA-N 0 0 318.377 0.647 10 0 DCAERN Cc1nc(SCCC(=O)N2CCN3CCOC[C@@H]3C2)n[nH]1 ZINC000371863995 396479158 /nfs/dbraw/zinc/47/91/58/396479158.db2.gz JTKZMUIRSYEXAQ-NSHDSACASA-N 0 0 311.411 0.138 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2)C1 ZINC000372719514 396539941 /nfs/dbraw/zinc/53/99/41/396539941.db2.gz QYUMFHWFWDJDOI-MBNYWOFBSA-N 0 0 307.398 0.866 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528472387 396554971 /nfs/dbraw/zinc/55/49/71/396554971.db2.gz SIDZJNJQSRXXPT-AWEZNQCLSA-N 0 0 321.421 0.764 10 0 DCAERN Cc1nc([C@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)CCO2)no1 ZINC000373075676 396564573 /nfs/dbraw/zinc/56/45/73/396564573.db2.gz XZOAYQUBARYAJK-CMPLNLGQSA-N 0 0 322.365 0.536 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000531010544 396586858 /nfs/dbraw/zinc/58/68/58/396586858.db2.gz GSHYKPNCIPTTEC-KGLIPLIRSA-N 0 0 314.451 0.896 10 0 DCAERN COc1ccc(OC)c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000373245917 396578527 /nfs/dbraw/zinc/57/85/27/396578527.db2.gz STALXXYDKOUEQW-GFCCVEGCSA-N 0 0 306.362 0.860 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000531013534 396587431 /nfs/dbraw/zinc/58/74/31/396587431.db2.gz BBQIVOZZYQJOKQ-IQMDTDKHSA-N 0 0 308.382 0.662 10 0 DCAERN CCOC(=O)C1=NN=C2C=C(Br)C=CN2[C@@H]1O ZINC000585656187 396648083 /nfs/dbraw/zinc/64/80/83/396648083.db2.gz SIXRCQZNPPZXNR-SECBINFHSA-N 0 0 300.112 0.744 10 0 DCAERN Cc1noc(C)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000585736297 396651794 /nfs/dbraw/zinc/65/17/94/396651794.db2.gz JADZEFMNUIMOAK-UHFFFAOYSA-N 0 0 301.368 0.447 10 0 DCAERN CCCCn1nnnc1C[S@](=O)CC(=O)N(C)CC1CC1 ZINC000531640112 396599171 /nfs/dbraw/zinc/59/91/71/396599171.db2.gz QCORCXCWDUFPOQ-NRFANRHFSA-N 0 0 313.427 0.590 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCOC1(C)C ZINC000595392295 396601169 /nfs/dbraw/zinc/60/11/69/396601169.db2.gz LHCPMBKRJXKYFR-SNVBAGLBSA-N 0 0 308.400 0.131 10 0 DCAERN Cn1ccnc1[C@H]1CN(c2ccnc(C(N)=O)c2)CCN1C ZINC000373669620 396606516 /nfs/dbraw/zinc/60/65/16/396606516.db2.gz CJJZWULGTVBYFH-CYBMUJFWSA-N 0 0 300.366 0.407 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC000373727117 396610319 /nfs/dbraw/zinc/61/03/19/396610319.db2.gz KNAVHIKHRDVMLS-VXGBXAGGSA-N 0 0 305.382 0.366 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ncsc2Br)C[C@H]1O ZINC000582429873 396611003 /nfs/dbraw/zinc/61/10/03/396611003.db2.gz IFJBCDTZCFUYGA-PHDIDXHHSA-N 0 0 307.169 0.737 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC000373838537 396617855 /nfs/dbraw/zinc/61/78/55/396617855.db2.gz YZUNDRXPNJRPKA-ZCFIWIBFSA-N 0 0 309.800 0.690 10 0 DCAERN CCCOC[C@H]1CCN(C(=O)C2CCN(CC(N)=O)CC2)C1 ZINC000584899804 396636434 /nfs/dbraw/zinc/63/64/34/396636434.db2.gz QSDKTGTTXDUYAS-ZDUSSCGKSA-N 0 0 311.426 0.459 10 0 DCAERN Cc1cc(CNC(=O)NCCCN2CCCS2(=O)=O)no1 ZINC000587119646 396671327 /nfs/dbraw/zinc/67/13/27/396671327.db2.gz XSWXQZOMMCEWOM-UHFFFAOYSA-N 0 0 316.383 0.208 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374639666 396677610 /nfs/dbraw/zinc/67/76/10/396677610.db2.gz IJMSWVQQPQUNJQ-STQMWFEESA-N 0 0 320.455 0.730 10 0 DCAERN CCOCCONC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374669695 396679062 /nfs/dbraw/zinc/67/90/62/396679062.db2.gz OTGZADXSRWZKCX-CHWSQXEVSA-N 0 0 316.398 0.821 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000563272861 396719304 /nfs/dbraw/zinc/71/93/04/396719304.db2.gz HLNXCOFBAAJVLN-SECBINFHSA-N 0 0 305.313 0.695 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1c[nH]ccc1=O ZINC000625148026 396787177 /nfs/dbraw/zinc/78/71/77/396787177.db2.gz WYEYCLMHCCPVEY-UHFFFAOYSA-N 0 0 322.365 0.123 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000375419450 396741317 /nfs/dbraw/zinc/74/13/17/396741317.db2.gz HJVQYJQMEWGLTE-LJISPDSOSA-N 0 0 312.410 0.238 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000375461171 396749279 /nfs/dbraw/zinc/74/92/79/396749279.db2.gz RJBQBSOENUZAHD-LBPRGKRZSA-N 0 0 321.425 0.479 10 0 DCAERN COCCCNC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464030 396752545 /nfs/dbraw/zinc/75/25/45/396752545.db2.gz HKCYSPCFNRWWNJ-LBPRGKRZSA-N 0 0 308.382 0.889 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000375472746 396754455 /nfs/dbraw/zinc/75/44/55/396754455.db2.gz LMUNUWZFLBUZEM-BFVZDQMLSA-N 0 0 311.407 0.177 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000312715318 396766662 /nfs/dbraw/zinc/76/66/62/396766662.db2.gz QCGSIRWTCNZRNX-RYUDHWBXSA-N 0 0 303.355 0.904 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCOCC[C@@H]2C)ccc1=O ZINC000375527346 396767783 /nfs/dbraw/zinc/76/77/83/396767783.db2.gz XQGITMBIJSKNNZ-NSHDSACASA-N 0 0 307.350 0.444 10 0 DCAERN CO[C@@](C)(CNC(=O)[C@H]1CNC(=O)C1)COCc1ccccc1 ZINC000617676937 396768966 /nfs/dbraw/zinc/76/89/66/396768966.db2.gz CKIFPCOIHMBMEQ-PBHICJAKSA-N 0 0 320.389 0.861 10 0 DCAERN C[C@@H]1NC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501541 396772684 /nfs/dbraw/zinc/77/26/84/396772684.db2.gz BFYUYXRDENGQBE-WCQYABFASA-N 0 0 304.350 0.223 10 0 DCAERN CN(C)c1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccn1 ZINC000328624511 396825122 /nfs/dbraw/zinc/82/51/22/396825122.db2.gz CKZWUQCBUYCRAV-LLVKDONJSA-N 0 0 316.365 0.967 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCc2nccn2C1 ZINC000328630881 396826836 /nfs/dbraw/zinc/82/68/36/396826836.db2.gz QJOAIRJZHVVAEH-CHWSQXEVSA-N 0 0 313.423 0.934 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C[C@H](O)CN2CCCC2=O)[nH]1 ZINC000328670495 396830962 /nfs/dbraw/zinc/83/09/62/396830962.db2.gz MQUCULRSTGNYMA-STQMWFEESA-N 0 0 307.398 0.623 10 0 DCAERN CC1(C)CN(C(=O)c2ccoc2CC(N)=O)C[C@]2(CCOC2)O1 ZINC000375864839 396835516 /nfs/dbraw/zinc/83/55/16/396835516.db2.gz DGMSXBMUXJYAOK-INIZCTEOSA-N 0 0 322.361 0.718 10 0 DCAERN O=C(N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)[C@@]1(O)CCSC1 ZINC000328942755 396835975 /nfs/dbraw/zinc/83/59/75/396835975.db2.gz AFSCDCHATOMIFW-AXAPSJFSSA-N 0 0 324.446 0.856 10 0 DCAERN COC(=O)c1cccc(N2CC(=O)N(C[C@H](C)CO)C2=O)c1 ZINC000611225982 396840253 /nfs/dbraw/zinc/84/02/53/396840253.db2.gz NWSLFWQZPYJSPR-JTQLQIEISA-N 0 0 306.318 0.870 10 0 DCAERN C[C@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)S(C)(=O)=O ZINC000375904160 396840230 /nfs/dbraw/zinc/84/02/30/396840230.db2.gz QHSXPOVQDMOCLC-SECBINFHSA-N 0 0 301.339 0.289 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375938605 396847668 /nfs/dbraw/zinc/84/76/68/396847668.db2.gz TTZJJHNBQSEVMR-YYRQZUAOSA-N 0 0 301.306 0.519 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@]2(CCOC2)C1 ZINC000333134843 396918667 /nfs/dbraw/zinc/91/86/67/396918667.db2.gz IKPDPCSQMAODCL-XJFOESAGSA-N 0 0 301.408 0.996 10 0 DCAERN O=S(=O)(Cc1ccccc1Cl)N[C@H]1CCOC[C@@H]1O ZINC000625594733 396940999 /nfs/dbraw/zinc/94/09/99/396940999.db2.gz VSJFFOCQNDBFLW-RYUDHWBXSA-N 0 0 305.783 0.909 10 0 DCAERN COC(=O)c1ccccc1CCC(=O)NCc1cn(C)nn1 ZINC000611946868 396955558 /nfs/dbraw/zinc/95/55/58/396955558.db2.gz FJLVDNKNLQLFOV-UHFFFAOYSA-N 0 0 302.334 0.851 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C)CCN1S(C)(=O)=O ZINC000618677150 397010243 /nfs/dbraw/zinc/01/02/43/397010243.db2.gz CYLLLJHCMUZGHU-WOPDTQHZSA-N 0 0 304.412 0.294 10 0 DCAERN CCc1occc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677060 397010451 /nfs/dbraw/zinc/01/04/51/397010451.db2.gz WPNIRKWBHIORFU-SNVBAGLBSA-N 0 0 300.380 0.948 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)OCC(C)C ZINC000618754145 397022722 /nfs/dbraw/zinc/02/27/22/397022722.db2.gz DHSISOKFHCAZSB-SRVKXCTJSA-N 0 0 316.398 0.620 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)nnc1C ZINC000618754401 397023000 /nfs/dbraw/zinc/02/30/00/397023000.db2.gz ACKKNLIHTHJTLV-QWRGUYRKSA-N 0 0 322.365 0.280 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1C ZINC000618882924 397036259 /nfs/dbraw/zinc/03/62/59/397036259.db2.gz IZRYFUUKLPCHHG-SDDRHHMPSA-N 0 0 313.398 0.043 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2c3ccccc3CC2=O)[C@H](C)C1 ZINC000612467847 397065770 /nfs/dbraw/zinc/06/57/70/397065770.db2.gz SFPDXKKHDGJQAE-GFCCVEGCSA-N 0 0 315.373 0.655 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000377930138 397165649 /nfs/dbraw/zinc/16/56/49/397165649.db2.gz BWOIZCBRONYXQP-LBPRGKRZSA-N 0 0 305.353 0.999 10 0 DCAERN O=C1[C@H](NS(=O)(=O)c2ccccc2)CCN1C1CCOCC1 ZINC000377966671 397172551 /nfs/dbraw/zinc/17/25/51/397172551.db2.gz XWXKOGLWLIERDR-CQSZACIVSA-N 0 0 324.402 0.745 10 0 DCAERN O=C1[C@@H](NS(=O)(=O)c2ccccc2)CCN1C1CCOCC1 ZINC000377966668 397172556 /nfs/dbraw/zinc/17/25/56/397172556.db2.gz XWXKOGLWLIERDR-AWEZNQCLSA-N 0 0 324.402 0.745 10 0 DCAERN COc1cc(C)c(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1OC ZINC000364072333 397180208 /nfs/dbraw/zinc/18/02/08/397180208.db2.gz ZYDAUSMXSXLAHD-NSHDSACASA-N 0 0 319.361 0.862 10 0 DCAERN Cc1nc(CN2CCC[C@@H](NC(=O)C3(O)CCCC3)C2)no1 ZINC000377663757 397121253 /nfs/dbraw/zinc/12/12/53/397121253.db2.gz CPMKZWOVBPELDP-GFCCVEGCSA-N 0 0 308.382 0.764 10 0 DCAERN COC(=O)CN1CCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000619744696 397187219 /nfs/dbraw/zinc/18/72/19/397187219.db2.gz UNHNIAWDYAQTOF-VIFPVBQESA-N 0 0 300.384 0.541 10 0 DCAERN CCN1CC[C@H](NC(=O)NCC2([S@](C)=O)CCC2)C1=O ZINC000619801865 397195148 /nfs/dbraw/zinc/19/51/48/397195148.db2.gz FEIZUPXHOMQNPF-FVINQWEUSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000378185813 397207663 /nfs/dbraw/zinc/20/76/63/397207663.db2.gz YSPKGZRSXRVOCP-NSHDSACASA-N 0 0 312.377 0.823 10 0 DCAERN CCOC[C@H]1CN(c2c(F)cccc2S(N)(=O)=O)CCO1 ZINC000631389667 397208298 /nfs/dbraw/zinc/20/82/98/397208298.db2.gz WESXSUVJYXSUKP-SNVBAGLBSA-N 0 0 318.370 0.715 10 0 DCAERN C=CC(=O)NCCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000378217756 397214407 /nfs/dbraw/zinc/21/44/07/397214407.db2.gz MEIJFBHQLNRDRV-ZDUSSCGKSA-N 0 0 301.346 0.118 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000364723258 397238548 /nfs/dbraw/zinc/23/85/48/397238548.db2.gz RVILXDCYDPCFMO-ZDUSSCGKSA-N 0 0 303.362 0.477 10 0 DCAERN O=S(=O)(Cc1ccon1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000364766843 397245289 /nfs/dbraw/zinc/24/52/89/397245289.db2.gz CSJKPCGOGFUZHH-UHFFFAOYSA-N 0 0 312.322 0.847 10 0 DCAERN C[C@@H](C(=O)N(C)CC1(O)CCC1)n1cnc2c1ncnc2N ZINC000613498803 397267947 /nfs/dbraw/zinc/26/79/47/397267947.db2.gz PGXSQKZWCHCUOL-VIFPVBQESA-N 0 0 304.354 0.343 10 0 DCAERN CCc1[nH]c(C(=O)N[C@@](C)(CO)COC)c(C)c1C(=O)OC ZINC000613534750 397275024 /nfs/dbraw/zinc/27/50/24/397275024.db2.gz SQVUKZMZRAZZEW-HNNXBMFYSA-N 0 0 312.366 0.799 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cn(CC)c(C)n1 ZINC000385660900 397285254 /nfs/dbraw/zinc/28/52/54/397285254.db2.gz MAFTXWPZZVUXEB-RYUDHWBXSA-N 0 0 301.412 0.993 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC(CCO)CC2)cn1 ZINC000592952927 397299545 /nfs/dbraw/zinc/29/95/45/397299545.db2.gz KEKNZOYDQUUXFL-UHFFFAOYSA-N 0 0 320.393 0.707 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cc1 ZINC000592972048 397308853 /nfs/dbraw/zinc/30/88/53/397308853.db2.gz LFXQJKLLYAMDQK-CQSZACIVSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)cc1 ZINC000396668989 397310603 /nfs/dbraw/zinc/31/06/03/397310603.db2.gz DVTUUVMASQTYIT-LBPRGKRZSA-N 0 0 310.375 0.836 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)c1 ZINC000396663870 397310983 /nfs/dbraw/zinc/31/09/83/397310983.db2.gz BRESAVHVLHQYBG-LBPRGKRZSA-N 0 0 310.375 0.836 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCNC(=O)CC2)C1 ZINC000396702497 397311637 /nfs/dbraw/zinc/31/16/37/397311637.db2.gz JCGVBOBUWHVTQX-IJLUTSLNSA-N 0 0 303.428 0.467 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000378555037 397255405 /nfs/dbraw/zinc/25/54/05/397255405.db2.gz ZNCWYQZHHRPMDB-CYBMUJFWSA-N 0 0 305.382 0.843 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cn1 ZINC000407955145 397335798 /nfs/dbraw/zinc/33/57/98/397335798.db2.gz IRRLYRLYPCYVOH-VXGBXAGGSA-N 0 0 318.377 0.558 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407957526 397336305 /nfs/dbraw/zinc/33/63/05/397336305.db2.gz ZFMCGDLQWMBJKP-SRVKXCTJSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000407963669 397339114 /nfs/dbraw/zinc/33/91/14/397339114.db2.gz DFIAZXOJULAEBP-NXEZZACHSA-N 0 0 307.441 0.073 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)CC(=O)N1C ZINC000407968035 397340803 /nfs/dbraw/zinc/34/08/03/397340803.db2.gz FBEASNLLLWBULT-VIFPVBQESA-N 0 0 319.390 0.846 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000407969933 397341553 /nfs/dbraw/zinc/34/15/53/397341553.db2.gz AFAMWTCTNBPZQG-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN COCCn1cc([C@@H]2[C@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1 ZINC000407975883 397342731 /nfs/dbraw/zinc/34/27/31/397342731.db2.gz PUNFFCQJFXHZEM-DGCLKSJQSA-N 0 0 308.382 0.703 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@H]1OCCc2ccccc21 ZINC000366154129 397344558 /nfs/dbraw/zinc/34/45/58/397344558.db2.gz BXNVJXHYJCWIQE-CQSZACIVSA-N 0 0 304.346 0.275 10 0 DCAERN C[C@H]1OCCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)[C@@H]1C(N)=O ZINC000408044602 397345139 /nfs/dbraw/zinc/34/51/39/397345139.db2.gz AKVNFXLPLTVGQK-XFMPKHEZSA-N 0 0 311.426 0.598 10 0 DCAERN O=C(CN1CCOCC1)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408050663 397345259 /nfs/dbraw/zinc/34/52/59/397345259.db2.gz FGJUVVQBCDZPTR-ZNMIVQPWSA-N 0 0 312.410 0.097 10 0 DCAERN C[C@H](O)C[C@H]1CCCCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408105827 397347208 /nfs/dbraw/zinc/34/72/08/397347208.db2.gz QTYZPNSPNBPHOQ-NWDGAFQWSA-N 0 0 306.428 0.420 10 0 DCAERN C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000577765037 397359712 /nfs/dbraw/zinc/35/97/12/397359712.db2.gz ZXMGZKKMOXGJGN-QWHCGFSZSA-N 0 0 321.421 0.905 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000602154563 397326461 /nfs/dbraw/zinc/32/64/61/397326461.db2.gz XMKXAEOMICPPAH-UHFFFAOYSA-N 0 0 304.354 0.622 10 0 DCAERN COCc1nc2n(n1)C[C@@H](N1C(=O)N[C@@H](CC3CC3)C1=O)CC2 ZINC000578595172 397456944 /nfs/dbraw/zinc/45/69/44/397456944.db2.gz NYDKNMAUDGPUNV-QWRGUYRKSA-N 0 0 319.365 0.460 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](CC(F)(F)F)C2)C1 ZINC000621526365 397393486 /nfs/dbraw/zinc/39/34/86/397393486.db2.gz OWPMACADJYPMFD-GHMZBOCLSA-N 0 0 323.315 0.970 10 0 DCAERN COc1ccc(OCC(=O)N(C)Cc2nnnn2C)cc1C ZINC000488089473 397485368 /nfs/dbraw/zinc/48/53/68/397485368.db2.gz OGJPRLNHTSOFAG-UHFFFAOYSA-N 0 0 305.338 0.565 10 0 DCAERN CCCn1cc(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)nn1 ZINC000614649456 397490990 /nfs/dbraw/zinc/49/09/90/397490990.db2.gz LCSHLVNRVHVKAY-UHFFFAOYSA-N 0 0 323.397 0.398 10 0 DCAERN CCc1c(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cnn1C ZINC000614651245 397492655 /nfs/dbraw/zinc/49/26/55/397492655.db2.gz FRGNXKWJEIOBED-UHFFFAOYSA-N 0 0 322.409 0.692 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)co1 ZINC000370607030 397508163 /nfs/dbraw/zinc/50/81/63/397508163.db2.gz SCOWSOXZBMDBGG-LLVKDONJSA-N 0 0 324.362 0.888 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000371353702 397575310 /nfs/dbraw/zinc/57/53/10/397575310.db2.gz JPKSUEPRXPMWJB-CWSCBRNRSA-N 0 0 310.300 0.735 10 0 DCAERN C[C@]1(C2CCN(C(=O)C3=COCCC3)CC2)NC(=O)NC1=O ZINC000371082606 397541474 /nfs/dbraw/zinc/54/14/74/397541474.db2.gz XKRMJQJRGDJNRX-OAHLLOKOSA-N 0 0 307.350 0.517 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)Nc1ccc2nccn2c1 ZINC000603884533 397625297 /nfs/dbraw/zinc/62/52/97/397625297.db2.gz HXVOUASBTFWXBS-UHFFFAOYSA-N 0 0 301.306 0.605 10 0 DCAERN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(C2CC2)CC1 ZINC000604473499 397641049 /nfs/dbraw/zinc/64/10/49/397641049.db2.gz URYSBTWNFCHNQI-OAHLLOKOSA-N 0 0 323.437 0.711 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000606417081 397680584 /nfs/dbraw/zinc/68/05/84/397680584.db2.gz KSZJOMXHTBYODX-BDAKNGLRSA-N 0 0 324.410 0.260 10 0 DCAERN CN(CC(=O)N(C)[C@H]1CCN(C)C1=O)c1ccc(Cl)cn1 ZINC000606407908 397680639 /nfs/dbraw/zinc/68/06/39/397680639.db2.gz ZQXBULJRYFQYDD-NSHDSACASA-N 0 0 310.785 0.860 10 0 DCAERN CCc1n[nH]cc1C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000607701271 397705045 /nfs/dbraw/zinc/70/50/45/397705045.db2.gz RGAYFVSJDRDYBC-UHFFFAOYSA-N 0 0 320.353 0.184 10 0 DCAERN CN(CC(=O)N1CCS(=O)CC1)c1ccc(Cl)cn1 ZINC000609380007 397773297 /nfs/dbraw/zinc/77/32/97/397773297.db2.gz ORXWMDYTRGKKFI-UHFFFAOYSA-N 0 0 301.799 0.762 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(C)[nH]1 ZINC000608591375 397738866 /nfs/dbraw/zinc/73/88/66/397738866.db2.gz MHIMIPHIKOHIEU-MEBBXXQBSA-N 0 0 304.350 0.740 10 0 DCAERN CCOC(=O)C1(O)CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000610538392 397829751 /nfs/dbraw/zinc/82/97/51/397829751.db2.gz PUHMGODXNVVCAA-UHFFFAOYSA-N 0 0 308.382 0.811 10 0 DCAERN COC(=O)c1cn(CC(=O)N2CCC[C@@]3(CCCOC3)C2)nn1 ZINC000610474004 397825387 /nfs/dbraw/zinc/82/53/87/397825387.db2.gz RRMSIGXMPGWSJA-OAHLLOKOSA-N 0 0 322.365 0.484 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000407989175 286119518 /nfs/dbraw/zinc/11/95/18/286119518.db2.gz GCXWYNVQYNICQQ-YNEHKIRRSA-N 0 0 307.412 0.621 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1CCC[C@@](F)(CO)C1 ZINC000376420734 304371836 /nfs/dbraw/zinc/37/18/36/304371836.db2.gz LINLTVAMFIXWRZ-GWCFXTLKSA-N 0 0 310.316 0.275 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)Nc2ncnn2C)C12CCOCC2 ZINC000184552579 286483419 /nfs/dbraw/zinc/48/34/19/286483419.db2.gz BFWNFLRTMBTSRL-MNOVXSKESA-N 0 0 309.370 0.911 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1COCCO1 ZINC000261912621 286512099 /nfs/dbraw/zinc/51/20/99/286512099.db2.gz HUAZKQHCRDLILL-ZFWWWQNUSA-N 0 0 306.362 0.584 10 0 DCAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000193566983 286516023 /nfs/dbraw/zinc/51/60/23/286516023.db2.gz XAZJDDREWRZWOO-KBXIAJHMSA-N 0 0 324.421 0.774 10 0 DCAERN Cc1ccc2c(c1)N(C)N=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000065183352 292333588 /nfs/dbraw/zinc/33/35/88/292333588.db2.gz UDVIXTHIGGAIFA-UHFFFAOYSA-N 0 0 323.374 0.391 10 0 DCAERN CC(=O)NCCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000047822835 158004066 /nfs/dbraw/zinc/00/40/66/158004066.db2.gz ZYPQSFMTHGCTTN-UHFFFAOYSA-N 0 0 305.382 0.486 10 0 DCAERN C[C@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000048541826 158007045 /nfs/dbraw/zinc/00/70/45/158007045.db2.gz GVWPYWXSWBVYLC-NXEZZACHSA-N 0 0 300.380 0.831 10 0 DCAERN CC(C)c1ccccc1OC[C@@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000051581883 158015000 /nfs/dbraw/zinc/01/50/00/158015000.db2.gz GKHQWPSMKZHZLF-BBRMVZONSA-N 0 0 322.405 0.736 10 0 DCAERN O=c1cc(CN2CCNC(=O)CC2)nc2ccc(Cl)cn12 ZINC000054258823 158019953 /nfs/dbraw/zinc/01/99/53/158019953.db2.gz HAQRYKPIMWEAAD-UHFFFAOYSA-N 0 0 306.753 0.670 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2CCNC(=O)CC2)c1 ZINC000054258424 158020475 /nfs/dbraw/zinc/02/04/75/158020475.db2.gz MBLWQFXKKMDGTH-UHFFFAOYSA-N 0 0 305.378 0.312 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000055143013 158022096 /nfs/dbraw/zinc/02/20/96/158022096.db2.gz KKUGLVGOXOWURN-NEPJUHHUSA-N 0 0 316.423 0.279 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000058482576 158026829 /nfs/dbraw/zinc/02/68/29/158026829.db2.gz KIANSOLCNAOKEH-LLVKDONJSA-N 0 0 310.375 0.954 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)NCc1cccnc1-n1cccn1 ZINC000064290768 158033330 /nfs/dbraw/zinc/03/33/30/158033330.db2.gz ILRTWJFPTQYNBE-LBPRGKRZSA-N 0 0 316.365 0.721 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)CCN2CCOCC2)C1 ZINC000066104075 158034011 /nfs/dbraw/zinc/03/40/11/158034011.db2.gz NTMWLRMJDYBFFR-ZDUSSCGKSA-N 0 0 305.444 0.227 10 0 DCAERN CCOCc1ccccc1CNC(=O)CN1CCNC(=O)CC1 ZINC000065954617 158034445 /nfs/dbraw/zinc/03/44/45/158034445.db2.gz PXMZJICEBALUEV-UHFFFAOYSA-N 0 0 319.405 0.661 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000066919050 158038244 /nfs/dbraw/zinc/03/82/44/158038244.db2.gz BGSMJXPUIWXGDE-NEPJUHHUSA-N 0 0 304.412 0.848 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Cc1ccccc1 ZINC000067266668 158038788 /nfs/dbraw/zinc/03/87/88/158038788.db2.gz CDLOUHRJODHHDM-ZIAGYGMSSA-N 0 0 318.373 0.803 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000072712288 158052386 /nfs/dbraw/zinc/05/23/86/158052386.db2.gz QTTUVOABUDWAJA-NSHDSACASA-N 0 0 301.416 0.175 10 0 DCAERN CCN1CCO[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000072844881 158054127 /nfs/dbraw/zinc/05/41/27/158054127.db2.gz ZQMFBVQGVXXIPY-CQSZACIVSA-N 0 0 320.393 0.577 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1 ZINC000074725003 158059253 /nfs/dbraw/zinc/05/92/53/158059253.db2.gz KSXLWPZIXVABBU-UHFFFAOYSA-N 0 0 305.359 0.588 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000075981729 158063502 /nfs/dbraw/zinc/06/35/02/158063502.db2.gz LOFAJQHOQIEAOF-DGCLKSJQSA-N 0 0 324.406 0.506 10 0 DCAERN O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077650249 158068642 /nfs/dbraw/zinc/06/86/42/158068642.db2.gz IXMRFSWWKHTQKH-LBPRGKRZSA-N 0 0 316.317 0.970 10 0 DCAERN CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000077606439 158069203 /nfs/dbraw/zinc/06/92/03/158069203.db2.gz FCQPAKSPKKHOFG-UHFFFAOYSA-N 0 0 308.363 0.340 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000078481536 158073271 /nfs/dbraw/zinc/07/32/71/158073271.db2.gz AHQSJDBHYJTHTD-UHFFFAOYSA-N 0 0 324.402 0.785 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2ccc(C(N)=O)o2)C1 ZINC000080822866 158082711 /nfs/dbraw/zinc/08/27/11/158082711.db2.gz SDWSIBKXUOGMET-VIFPVBQESA-N 0 0 301.368 0.445 10 0 DCAERN CCc1cnc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000081205567 158083693 /nfs/dbraw/zinc/08/36/93/158083693.db2.gz LFIZSVCYWBZPIE-UHFFFAOYSA-N 0 0 324.406 0.695 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000081424726 158084551 /nfs/dbraw/zinc/08/45/51/158084551.db2.gz AJXHUGUQZRWODD-QWHCGFSZSA-N 0 0 320.455 0.978 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081486859 158084653 /nfs/dbraw/zinc/08/46/53/158084653.db2.gz AEGFKFDCMOHUCJ-JOYOIKCWSA-N 0 0 323.315 0.706 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C)Cc1ccc(C)o1 ZINC000088768089 158094794 /nfs/dbraw/zinc/09/47/94/158094794.db2.gz MSBWSVOYJWLEBI-UHFFFAOYSA-N 0 0 304.368 0.760 10 0 DCAERN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CCNC(=O)C1 ZINC000088668731 158094920 /nfs/dbraw/zinc/09/49/20/158094920.db2.gz LZELVUAYWXURER-SNVBAGLBSA-N 0 0 324.331 0.685 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)C(C)C ZINC000088787159 158095785 /nfs/dbraw/zinc/09/57/85/158095785.db2.gz PYKOVEZNQJOGKW-JTQLQIEISA-N 0 0 301.416 0.850 10 0 DCAERN COCCOCCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091038201 158106605 /nfs/dbraw/zinc/10/66/05/158106605.db2.gz RFTSCJAWWZNYLN-UHFFFAOYSA-N 0 0 305.334 0.396 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCc3csc(=O)[nH]3)cnc12 ZINC000091248857 158107709 /nfs/dbraw/zinc/10/77/09/158107709.db2.gz MTRHHCDFFNAYMV-UHFFFAOYSA-N 0 0 316.342 0.683 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000091783778 158109470 /nfs/dbraw/zinc/10/94/70/158109470.db2.gz VQFQZNIWVSSAMT-ZDUSSCGKSA-N 0 0 300.318 0.199 10 0 DCAERN CC(C)CO[C@H](C)c1noc(CN2CCOC[C@@H]2C(N)=O)n1 ZINC000092230043 158111984 /nfs/dbraw/zinc/11/19/84/158111984.db2.gz NSTDMJWFJQYLFJ-GHMZBOCLSA-N 0 0 312.370 0.489 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)N3CCN(C)CC3)C2)no1 ZINC000093171826 158118590 /nfs/dbraw/zinc/11/85/90/158118590.db2.gz QEDHRUISQSGESP-CQSZACIVSA-N 0 0 321.425 0.407 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000108404261 158136151 /nfs/dbraw/zinc/13/61/51/158136151.db2.gz LNBRKDWONYTPMP-OLZOCXBDSA-N 0 0 317.455 0.954 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnns3)CC2)no1 ZINC000110945382 158138119 /nfs/dbraw/zinc/13/81/19/158138119.db2.gz SRZTTYJRRJSABT-UHFFFAOYSA-N 0 0 308.367 0.578 10 0 DCAERN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000112676271 158143491 /nfs/dbraw/zinc/14/34/91/158143491.db2.gz LFYXJBRWKUXOQE-RYUDHWBXSA-N 0 0 309.410 0.523 10 0 DCAERN COC[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000113295228 158146754 /nfs/dbraw/zinc/14/67/54/158146754.db2.gz LQFDODBOVYOWMF-XQQFMLRXSA-N 0 0 306.428 0.699 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)[C@H]1CCCN1c1nccs1 ZINC000113902327 158149841 /nfs/dbraw/zinc/14/98/41/158149841.db2.gz YIYDUWSIEFAZIY-SNVBAGLBSA-N 0 0 322.390 0.377 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114442689 158153456 /nfs/dbraw/zinc/15/34/56/158153456.db2.gz OJPMLOMIYVFTRU-PWSUYJOCSA-N 0 0 304.350 0.355 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000114737216 158156101 /nfs/dbraw/zinc/15/61/01/158156101.db2.gz VJBNVFLLMQEONF-NSHDSACASA-N 0 0 322.390 0.852 10 0 DCAERN O=C(Cc1cn2ccccc2n1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114854587 158157899 /nfs/dbraw/zinc/15/78/99/158157899.db2.gz ATUKEDBBUSBVBK-OAHLLOKOSA-N 0 0 314.389 0.856 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCOc2ccccc2)C1 ZINC000116831398 158167547 /nfs/dbraw/zinc/16/75/47/158167547.db2.gz VWGMWMCXLXSMDA-LBPRGKRZSA-N 0 0 312.391 0.606 10 0 DCAERN CCC(CC)NC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890953 158168744 /nfs/dbraw/zinc/16/87/44/158168744.db2.gz FUXWFSWFIISZBZ-JQWIXIFHSA-N 0 0 305.444 0.303 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000116899451 158168784 /nfs/dbraw/zinc/16/87/84/158168784.db2.gz BCFXMPNHZXUGDD-GFCCVEGCSA-N 0 0 301.416 0.413 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOC)C[C@H]1CC ZINC000116898925 158168798 /nfs/dbraw/zinc/16/87/98/158168798.db2.gz UFZBSYOABLLVRI-CYBMUJFWSA-N 0 0 308.444 0.395 10 0 DCAERN CCC(CC)NC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890951 158169039 /nfs/dbraw/zinc/16/90/39/158169039.db2.gz FUXWFSWFIISZBZ-PWSUYJOCSA-N 0 0 305.444 0.303 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117277104 158170528 /nfs/dbraw/zinc/17/05/28/158170528.db2.gz QRLMOJKTKSXWFT-LBPRGKRZSA-N 0 0 308.382 0.172 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000117274363 158170539 /nfs/dbraw/zinc/17/05/39/158170539.db2.gz DNVNARPYBSJWAO-CQSZACIVSA-N 0 0 313.442 0.862 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000118686638 158177652 /nfs/dbraw/zinc/17/76/52/158177652.db2.gz NJNQFUOPRRMGSD-LLVKDONJSA-N 0 0 310.375 0.548 10 0 DCAERN O=C(CNC(=O)N1CCO[C@@H](c2ccco2)C1)N1CCCC1 ZINC000119034874 158181375 /nfs/dbraw/zinc/18/13/75/158181375.db2.gz BPCNOXIXDHOGPV-CYBMUJFWSA-N 0 0 307.350 0.985 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)N2CCC3(CCC3)C2)cn1 ZINC000119368665 158185148 /nfs/dbraw/zinc/18/51/48/158185148.db2.gz ZVLLQKPYAYSJGB-UHFFFAOYSA-N 0 0 303.366 0.884 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H]1CCCCNC1=O ZINC000119361942 158186167 /nfs/dbraw/zinc/18/61/67/158186167.db2.gz QUSSUBXMVPKRQB-NWDGAFQWSA-N 0 0 312.414 0.649 10 0 DCAERN CSCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120101729 158193397 /nfs/dbraw/zinc/19/33/97/158193397.db2.gz YGTGJTBVPUPFGC-NSHDSACASA-N 0 0 306.453 0.766 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000120173258 158194617 /nfs/dbraw/zinc/19/46/17/158194617.db2.gz GJEKWIJZQSLREZ-MJBXVCDLSA-N 0 0 320.455 0.588 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCC(n3cncn3)CC2)c1C ZINC000120367162 158197690 /nfs/dbraw/zinc/19/76/90/158197690.db2.gz RDVVJVIZVYNEBP-UHFFFAOYSA-N 0 0 321.406 0.982 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1c1nncn1C ZINC000120426211 158198413 /nfs/dbraw/zinc/19/84/13/158198413.db2.gz FOUMAABJZWMMKA-MNOVXSKESA-N 0 0 309.395 0.400 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000120480805 158198860 /nfs/dbraw/zinc/19/88/60/158198860.db2.gz ZOPDVBOOIODEBP-NXEZZACHSA-N 0 0 300.380 0.940 10 0 DCAERN CCc1nc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cs1 ZINC000120748685 158203676 /nfs/dbraw/zinc/20/36/76/158203676.db2.gz UMLMLBZDVJQIGM-ZJUUUORDSA-N 0 0 312.395 0.538 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1=O ZINC000120870559 158205012 /nfs/dbraw/zinc/20/50/12/158205012.db2.gz LEYQVXRQHPHERB-WBMJQRKESA-N 0 0 318.373 0.868 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCC1(CO)CCOCC1 ZINC000120939033 158205497 /nfs/dbraw/zinc/20/54/97/158205497.db2.gz XBSLYNBXXAABCD-UHFFFAOYSA-N 0 0 320.389 0.630 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000120930669 158205609 /nfs/dbraw/zinc/20/56/09/158205609.db2.gz PAUTVQPUCKRFKW-CYBMUJFWSA-N 0 0 318.395 0.844 10 0 DCAERN COc1ccccc1CCN(C)CC(=O)N1CCN(C)CC1 ZINC000120980422 158206352 /nfs/dbraw/zinc/20/63/52/158206352.db2.gz UXHVQJIMNYCNEA-UHFFFAOYSA-N 0 0 305.422 0.944 10 0 DCAERN O=C([C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCOCC1 ZINC000122823701 158224216 /nfs/dbraw/zinc/22/42/16/158224216.db2.gz RHMNYWSEGGRVHX-LLVKDONJSA-N 0 0 302.396 0.049 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123355199 158229227 /nfs/dbraw/zinc/22/92/27/158229227.db2.gz KNSLJGSPVQUMMZ-JSGCOSHPSA-N 0 0 324.402 0.886 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000123947603 158236111 /nfs/dbraw/zinc/23/61/11/158236111.db2.gz GNBUMJFCYFGZCO-UONOGXRCSA-N 0 0 310.394 0.653 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000124044336 158236925 /nfs/dbraw/zinc/23/69/25/158236925.db2.gz XATDINSTEKFBOV-SNVBAGLBSA-N 0 0 316.365 0.543 10 0 DCAERN Cc1cncc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000124976081 158249128 /nfs/dbraw/zinc/24/91/28/158249128.db2.gz RRHXUGCUPLJTAL-UHFFFAOYSA-N 0 0 312.333 0.150 10 0 DCAERN CN(C)c1ncc(NC(=O)c2sccc2-n2cnnn2)cn1 ZINC000125212817 158252514 /nfs/dbraw/zinc/25/25/14/158252514.db2.gz UZIPXANFKXWYBJ-UHFFFAOYSA-N 0 0 316.350 0.832 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(Cl)s1 ZINC000125281611 158253664 /nfs/dbraw/zinc/25/36/64/158253664.db2.gz DCZJFGQFOPXYSH-SSDOTTSWSA-N 0 0 317.798 0.783 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cs1 ZINC000125362938 158255019 /nfs/dbraw/zinc/25/50/19/158255019.db2.gz RNAIQGULJMFAAM-IONNQARKSA-N 0 0 310.379 0.828 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000126106979 158262103 /nfs/dbraw/zinc/26/21/03/158262103.db2.gz HIHBBDKRDXPFLB-OLZOCXBDSA-N 0 0 323.422 0.438 10 0 DCAERN C[C@H]1CN(C[C@H](O)CN2CCOCC2)c2ccccc2NC1=O ZINC000126608615 158266776 /nfs/dbraw/zinc/26/67/76/158266776.db2.gz UBKZTAFMTWTEOU-UONOGXRCSA-N 0 0 319.405 0.774 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000127154258 158271665 /nfs/dbraw/zinc/27/16/65/158271665.db2.gz SBCNOPAJKJWXAL-HNNXBMFYSA-N 0 0 308.378 0.918 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000129496595 158290080 /nfs/dbraw/zinc/29/00/80/158290080.db2.gz MNLZAPMSCWGSOC-NSHDSACASA-N 0 0 305.444 0.715 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000130754129 158297059 /nfs/dbraw/zinc/29/70/59/158297059.db2.gz QMURMQXIMODEEP-UHFFFAOYSA-N 0 0 323.397 0.274 10 0 DCAERN COC(=O)CCCC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000131174407 158300995 /nfs/dbraw/zinc/30/09/95/158300995.db2.gz KPBIVRWDSMLZSG-UHFFFAOYSA-N 0 0 324.381 0.756 10 0 DCAERN CCNC(=O)CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000131606311 158304796 /nfs/dbraw/zinc/30/47/96/158304796.db2.gz VAYDZLHBDUFERT-UHFFFAOYSA-N 0 0 305.256 0.889 10 0 DCAERN CN(CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)c1cccs1 ZINC000132580630 158311265 /nfs/dbraw/zinc/31/12/65/158311265.db2.gz PTGQXGPTUJICDC-MNOVXSKESA-N 0 0 323.418 0.980 10 0 DCAERN COC(=O)C1(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000132790578 158313620 /nfs/dbraw/zinc/31/36/20/158313620.db2.gz ZCPQJOWRLAPOJQ-GFCCVEGCSA-N 0 0 318.377 0.857 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000132970522 158315411 /nfs/dbraw/zinc/31/54/11/158315411.db2.gz NWZBTRQMTPRFTQ-CMPLNLGQSA-N 0 0 324.402 0.864 10 0 DCAERN COCCCCS(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000133591967 158320509 /nfs/dbraw/zinc/32/05/09/158320509.db2.gz WBXHKUHROYGSMR-UHFFFAOYSA-N 0 0 306.306 0.011 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133785670 158322279 /nfs/dbraw/zinc/32/22/79/158322279.db2.gz ZWWLFNQRRFNENS-NSHDSACASA-N 0 0 307.398 0.749 10 0 DCAERN CCCNC(=O)CNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134605547 158328860 /nfs/dbraw/zinc/32/88/60/158328860.db2.gz LWFKJJRYHDTZDF-CYBMUJFWSA-N 0 0 306.366 0.771 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C(N)=O)C(C)C)CC2 ZINC000135296210 158335211 /nfs/dbraw/zinc/33/52/11/158335211.db2.gz XZPXJICLHHWJAR-JQWIXIFHSA-N 0 0 322.413 0.525 10 0 DCAERN Cc1noc(COCC(=O)N[C@H](C)c2nnc3n2CCCC3)n1 ZINC000135415392 158336200 /nfs/dbraw/zinc/33/62/00/158336200.db2.gz ZJIYXCWRMHVWHZ-SECBINFHSA-N 0 0 320.353 0.700 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152466417 158349948 /nfs/dbraw/zinc/34/99/48/158349948.db2.gz YSKMUSKCXZSPIP-QWRGUYRKSA-N 0 0 320.397 0.637 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1COCCN1)c1cn(-c2ccccc2)nn1 ZINC000163149951 158362199 /nfs/dbraw/zinc/36/21/99/158362199.db2.gz BRTGGSZVNKKAKQ-RISCZKNCSA-N 0 0 301.350 0.433 10 0 DCAERN O=C(Nc1cccc(CN2CCOCC2)c1)[C@H]1COCCN1 ZINC000165948055 158366085 /nfs/dbraw/zinc/36/60/85/158366085.db2.gz NMFYVRHBUXXCDX-OAHLLOKOSA-N 0 0 305.378 0.446 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000166646315 158366949 /nfs/dbraw/zinc/36/69/49/158366949.db2.gz IGMZZOJLHWJYHH-LLVKDONJSA-N 0 0 321.381 0.218 10 0 DCAERN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2n[nH]nc2C1 ZINC000170240221 158373657 /nfs/dbraw/zinc/37/36/57/158373657.db2.gz NPVBOXCXVZQIAV-SNVBAGLBSA-N 0 0 300.318 0.955 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCC[C@H]1O ZINC000170194314 158373665 /nfs/dbraw/zinc/37/36/65/158373665.db2.gz WAYJLHOUXWDENV-QWHCGFSZSA-N 0 0 302.330 0.702 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000170193862 158373895 /nfs/dbraw/zinc/37/38/95/158373895.db2.gz TVJHEEHXNJFCNC-GFCCVEGCSA-N 0 0 302.330 0.654 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000170631782 158374567 /nfs/dbraw/zinc/37/45/67/158374567.db2.gz VAWOOJPTVYSMGK-LBPRGKRZSA-N 0 0 320.397 0.352 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)c1c(C)c(C)nn(C)c1=O ZINC000170824438 158376922 /nfs/dbraw/zinc/37/69/22/158376922.db2.gz DPZSYNDEYZGQBL-UHFFFAOYSA-N 0 0 317.393 0.720 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCC(c2nncn2C)CC1 ZINC000171019648 158379927 /nfs/dbraw/zinc/37/99/27/158379927.db2.gz YIMGIRTVRXGKAS-UHFFFAOYSA-N 0 0 321.410 0.442 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)N[C@@H]1CCCOC1 ZINC000171595060 158384439 /nfs/dbraw/zinc/38/44/39/158384439.db2.gz UGMCSIURQFWZMP-CYBMUJFWSA-N 0 0 305.382 0.924 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1)N1CCOCC1 ZINC000171715925 158386616 /nfs/dbraw/zinc/38/66/16/158386616.db2.gz UIEGYGIUWNVCEE-LSDHHAIUSA-N 0 0 324.469 0.975 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)N1CCNC(=O)C1 ZINC000172079817 158390412 /nfs/dbraw/zinc/39/04/12/158390412.db2.gz XWRHOLVWROMQCS-ZDUSSCGKSA-N 0 0 316.361 0.323 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000172199033 158392137 /nfs/dbraw/zinc/39/21/37/158392137.db2.gz JWWGRAUWHROJMA-CQSZACIVSA-N 0 0 321.425 0.888 10 0 DCAERN CN1CC[C@H](NC(=O)NC2CCN(c3ccccn3)CC2)C1=O ZINC000172356321 158393955 /nfs/dbraw/zinc/39/39/55/158393955.db2.gz NSCHIKCJFLHRAZ-ZDUSSCGKSA-N 0 0 317.393 0.580 10 0 DCAERN O=C(NCCNC(=O)N1CCC(Cn2cccn2)CC1)C1CC1 ZINC000172353114 158394203 /nfs/dbraw/zinc/39/42/03/158394203.db2.gz IGSFTFWMBKDUDT-UHFFFAOYSA-N 0 0 319.409 0.831 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000172603736 158396551 /nfs/dbraw/zinc/39/65/51/158396551.db2.gz XFJNSTXBGSGWIH-NEPJUHHUSA-N 0 0 315.381 0.905 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000172630364 158397659 /nfs/dbraw/zinc/39/76/59/158397659.db2.gz AFGIYGUOVMKTMQ-JSGCOSHPSA-N 0 0 310.394 0.651 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000174971114 158423084 /nfs/dbraw/zinc/42/30/84/158423084.db2.gz YSOHQNNSIRWFFR-NSHDSACASA-N 0 0 321.381 0.314 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nc(C)cs2)C1 ZINC000175891538 158431338 /nfs/dbraw/zinc/43/13/38/158431338.db2.gz AOCDBEMSYXLUFG-SNVBAGLBSA-N 0 0 310.379 0.517 10 0 DCAERN O=C(CN1CCCS1(=O)=O)NCCc1cc(F)ccc1F ZINC000177091654 158444864 /nfs/dbraw/zinc/44/48/64/158444864.db2.gz USINMHNWINCHQY-UHFFFAOYSA-N 0 0 318.345 0.659 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(C)C ZINC000178713267 158462413 /nfs/dbraw/zinc/46/24/13/158462413.db2.gz TXIUDNQFTZXBSJ-LBPRGKRZSA-N 0 0 311.407 0.707 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000178907391 158466055 /nfs/dbraw/zinc/46/60/55/158466055.db2.gz GXBICAQKRJFZBY-GFCCVEGCSA-N 0 0 306.366 0.938 10 0 DCAERN Cn1cnn(CC(=O)N2CCC[C@@H](c3nccs3)C2)c1=O ZINC000179499950 158473538 /nfs/dbraw/zinc/47/35/38/158473538.db2.gz CTPUNOQKVKFJAP-SNVBAGLBSA-N 0 0 307.379 0.445 10 0 DCAERN CCO[C@H]1C[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C12CCCC2 ZINC000179513928 158473691 /nfs/dbraw/zinc/47/36/91/158473691.db2.gz QHVZZLDNIYLPOE-STQMWFEESA-N 0 0 322.409 0.778 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000179686943 158475609 /nfs/dbraw/zinc/47/56/09/158475609.db2.gz NRHXYPDSHRNVIN-AWEZNQCLSA-N 0 0 324.402 0.440 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1sccc1COC ZINC000181203182 158484096 /nfs/dbraw/zinc/48/40/96/158484096.db2.gz NWZUIZJRXYHJCB-UHFFFAOYSA-N 0 0 320.436 0.954 10 0 DCAERN CNC(=O)[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000181502082 158486446 /nfs/dbraw/zinc/48/64/46/158486446.db2.gz YPIIIKHMRZOOEC-UTSBKAFOSA-N 0 0 310.375 0.434 10 0 DCAERN C[C@H](CO)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183514592 158499813 /nfs/dbraw/zinc/49/98/13/158499813.db2.gz OWXZHOAAESDNTR-WCQYABFASA-N 0 0 306.366 0.505 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1nc2ccccn2n1 ZINC000184432442 158508197 /nfs/dbraw/zinc/50/81/97/158508197.db2.gz ZOBQWYMXCZQLNG-NXEZZACHSA-N 0 0 302.338 0.847 10 0 DCAERN Cc1cnn(CCNC(=O)c2cn(CC3(C)COC3)nn2)c1 ZINC000184908772 158511870 /nfs/dbraw/zinc/51/18/70/158511870.db2.gz DEUSFOOGVGJZQO-UHFFFAOYSA-N 0 0 304.354 0.250 10 0 DCAERN CCc1noc(CC)c1CNC(=O)N1CC(NC(=O)COC)C1 ZINC000185626021 158522168 /nfs/dbraw/zinc/52/21/68/158522168.db2.gz CNNUZDJQRDMHQY-UHFFFAOYSA-N 0 0 324.381 0.456 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000186636173 158533073 /nfs/dbraw/zinc/53/30/73/158533073.db2.gz POHFLAKSCZRLOW-CYBMUJFWSA-N 0 0 322.409 0.248 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188067514 158542744 /nfs/dbraw/zinc/54/27/44/158542744.db2.gz NRHFEGPYLQPPJH-CYBMUJFWSA-N 0 0 317.389 0.770 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CC(NC(=O)C3CCC3)C2)[nH]n1 ZINC000188900845 158548473 /nfs/dbraw/zinc/54/84/73/158548473.db2.gz VDWGEDKANQOSIJ-JTQLQIEISA-N 0 0 319.409 0.959 10 0 DCAERN CCOCCOCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000189713968 158554431 /nfs/dbraw/zinc/55/44/31/158554431.db2.gz QBMPYJDSDOEIKH-GFCCVEGCSA-N 0 0 311.386 0.287 10 0 DCAERN CCN1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000189773219 158555628 /nfs/dbraw/zinc/55/56/28/158555628.db2.gz AYZVIBVSJDNHDR-LBPRGKRZSA-N 0 0 318.381 0.277 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCCN(C)C(=O)C1 ZINC000189808356 158555938 /nfs/dbraw/zinc/55/59/38/158555938.db2.gz IFITVSVLYBLUJZ-UHFFFAOYSA-N 0 0 324.402 0.785 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190176188 158557945 /nfs/dbraw/zinc/55/79/45/158557945.db2.gz OZPBPPAWYFRRTJ-QWRGUYRKSA-N 0 0 309.370 0.423 10 0 DCAERN CCCCOC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190806052 158563304 /nfs/dbraw/zinc/56/33/04/158563304.db2.gz RQWZBQRCPPJFSM-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000191013884 158564635 /nfs/dbraw/zinc/56/46/35/158564635.db2.gz XEPMFGUUIFEEBA-ONGXEEELSA-N 0 0 308.386 0.587 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CC1=O ZINC000191042066 158565119 /nfs/dbraw/zinc/56/51/19/158565119.db2.gz UDOHSFFPUDKBAB-UHFFFAOYSA-N 0 0 311.288 0.594 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C3CN(C(C)=O)C3)CC2)[nH]1 ZINC000191508343 158568276 /nfs/dbraw/zinc/56/82/76/158568276.db2.gz GNJPVZVCUWPLKJ-UHFFFAOYSA-N 0 0 305.382 0.551 10 0 DCAERN CCOC1CC(CNC(=O)C(C)(C)OC)(N2CCOCC2)C1 ZINC000195183826 158605712 /nfs/dbraw/zinc/60/57/12/158605712.db2.gz YBTDBPJMLGKDRZ-UHFFFAOYSA-N 0 0 314.426 0.798 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000195277746 158608369 /nfs/dbraw/zinc/60/83/69/158608369.db2.gz XIUMSCHXJMOBDQ-GFCCVEGCSA-N 0 0 319.409 0.845 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000195456903 158610984 /nfs/dbraw/zinc/61/09/84/158610984.db2.gz JIPIFCHYMTZLMH-SNVBAGLBSA-N 0 0 318.420 0.761 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2COc3ccccc32)C1 ZINC000245527224 158648439 /nfs/dbraw/zinc/64/84/39/158648439.db2.gz WFDZCFQNCWRKGG-YPMHNXCESA-N 0 0 324.402 0.560 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246260503 158660711 /nfs/dbraw/zinc/66/07/11/158660711.db2.gz ZDNMPRFLPOWVDV-RAIGVLPGSA-N 0 0 318.377 0.741 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccccc1Cl ZINC000246770750 158669966 /nfs/dbraw/zinc/66/99/66/158669966.db2.gz PWYUMWZHYVPCSX-JQWIXIFHSA-N 0 0 314.769 0.266 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)[C@H]2CCO[C@H]21 ZINC000251556508 158713103 /nfs/dbraw/zinc/71/31/03/158713103.db2.gz GDIGJAHMDSZAMM-JHJVBQTASA-N 0 0 307.394 0.720 10 0 DCAERN COc1c(C)cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1C ZINC000285739955 158966344 /nfs/dbraw/zinc/96/63/44/158966344.db2.gz YWPAPZPNZDTMND-MRXNPFEDSA-N 0 0 306.362 0.764 10 0 DCAERN Cc1cc(Br)cnc1N1CCC[C@@](O)(C(N)=O)C1 ZINC000311011204 158994761 /nfs/dbraw/zinc/99/47/61/158994761.db2.gz LYBMMTLLUJTOLK-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCCOc2ccccc2)C1 ZINC000320759715 159010395 /nfs/dbraw/zinc/01/03/95/159010395.db2.gz VQDDXLXDTAUQAA-ZFWWWQNUSA-N 0 0 308.378 0.263 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000328673532 159019284 /nfs/dbraw/zinc/01/92/84/159019284.db2.gz JBLUKCKXLCWIJK-STQMWFEESA-N 0 0 323.393 0.440 10 0 DCAERN Cc1noc([C@H](C)N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669554 159019543 /nfs/dbraw/zinc/01/95/43/159019543.db2.gz MBUUGFJJMLDBMN-FZMZJTMJSA-N 0 0 319.409 0.820 10 0 DCAERN C[C@@H](CC(=O)N1CCS(=O)(=O)CC1)N1CCCCC1=O ZINC000328764715 159028254 /nfs/dbraw/zinc/02/82/54/159028254.db2.gz OUGKGEYEKIIFNA-NSHDSACASA-N 0 0 302.396 0.035 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000328795712 159030514 /nfs/dbraw/zinc/03/05/14/159030514.db2.gz CNASXUSTHIYLAR-LLVKDONJSA-N 0 0 309.453 0.873 10 0 DCAERN CN1CCO[C@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@@H]21 ZINC000328839890 159033051 /nfs/dbraw/zinc/03/30/51/159033051.db2.gz OALYRDQMLNHAJL-RYUDHWBXSA-N 0 0 317.798 0.439 10 0 DCAERN Cc1nnc(N2CCS(=O)(=O)[C@@H](C)C2)n1C[C@@H]1CCCO1 ZINC000328840599 159034363 /nfs/dbraw/zinc/03/43/63/159034363.db2.gz OHJCOTRJOQLWAJ-JQWIXIFHSA-N 0 0 314.411 0.389 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000328841204 159034382 /nfs/dbraw/zinc/03/43/82/159034382.db2.gz PIICOFYOHDPVMP-UONOGXRCSA-N 0 0 317.455 0.368 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328888410 159038093 /nfs/dbraw/zinc/03/80/93/159038093.db2.gz QBVLQRDTMQWCTN-RBSFLKMASA-N 0 0 306.410 0.992 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328900065 159038554 /nfs/dbraw/zinc/03/85/54/159038554.db2.gz XYBJCTHSNVIPIW-UONOGXRCSA-N 0 0 322.409 0.347 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328902152 159039355 /nfs/dbraw/zinc/03/93/55/159039355.db2.gz GGXHQUAXBIVESS-KKUMJFAQSA-N 0 0 323.437 0.567 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@H]1Cn1ccnn1 ZINC000328907827 159039949 /nfs/dbraw/zinc/03/99/49/159039949.db2.gz CKLCUIMJTWFOSV-NEPJUHHUSA-N 0 0 300.384 0.109 10 0 DCAERN FC(F)(F)c1cc(CN[C@H]2COC[C@H]2n2ccnn2)[nH]n1 ZINC000328923694 159041916 /nfs/dbraw/zinc/04/19/16/159041916.db2.gz DARJMPJOUTVQPX-DTWKUNHWSA-N 0 0 302.260 0.750 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)ccc21 ZINC000328923505 159042043 /nfs/dbraw/zinc/04/20/43/159042043.db2.gz UXNZZZMOIGVTSI-GJZGRUSLSA-N 0 0 315.377 0.513 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328958014 159046846 /nfs/dbraw/zinc/04/68/46/159046846.db2.gz OHEDAMWFCVBYCT-KGLIPLIRSA-N 0 0 305.378 0.564 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986230 159050191 /nfs/dbraw/zinc/05/01/91/159050191.db2.gz ZWXNEVGMIUMFTC-KBPBESRZSA-N 0 0 323.437 0.614 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329047032 159054628 /nfs/dbraw/zinc/05/46/28/159054628.db2.gz QECFBJZWQKOPDK-QLFBSQMISA-N 0 0 321.421 0.463 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000329058334 159057131 /nfs/dbraw/zinc/05/71/31/159057131.db2.gz UAVVDAVQNHDCHU-SNVBAGLBSA-N 0 0 322.438 0.795 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000329164294 159069797 /nfs/dbraw/zinc/06/97/97/159069797.db2.gz GWSACKVEYHUISE-JTQLQIEISA-N 0 0 322.398 0.148 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000329198835 159072691 /nfs/dbraw/zinc/07/26/91/159072691.db2.gz WSIUZVQGMVYQCM-MNOVXSKESA-N 0 0 316.365 0.579 10 0 DCAERN O=C1NC2(CCOCC2)C(=O)N1[C@@H]1CCN(c2ccccn2)C1 ZINC000329193212 159072810 /nfs/dbraw/zinc/07/28/10/159072810.db2.gz TZVONPQQRTVLHH-GFCCVEGCSA-N 0 0 316.361 0.966 10 0 DCAERN Cc1nccc(CCC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000329210660 159073498 /nfs/dbraw/zinc/07/34/98/159073498.db2.gz ZSEVQPHQKALVTL-GJZGRUSLSA-N 0 0 304.394 0.649 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)CCSc2nnnn2C)no1 ZINC000329368429 159086359 /nfs/dbraw/zinc/08/63/59/159086359.db2.gz JEABXYVLHXYITH-SECBINFHSA-N 0 0 323.382 0.747 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC2(C1)CCCOC2 ZINC000329452188 159094704 /nfs/dbraw/zinc/09/47/04/159094704.db2.gz MCLIJTMRYXYEED-UHFFFAOYSA-N 0 0 316.361 0.513 10 0 DCAERN C[C@@H]1CN(CCc2nnnn2-c2ccccc2)CCS1(=O)=O ZINC000329460894 159094951 /nfs/dbraw/zinc/09/49/51/159094951.db2.gz SEHWLOVVIXQGBI-GFCCVEGCSA-N 0 0 321.406 0.324 10 0 DCAERN CC1(Cn2cc(C(=O)N3CC4(C3)CCCOC4)nn2)COC1 ZINC000329484278 159096538 /nfs/dbraw/zinc/09/65/38/159096538.db2.gz WTWLYRTXSXHHNO-UHFFFAOYSA-N 0 0 306.366 0.567 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C[C@H]2CCOC2)C2CC2)O1 ZINC000329551695 159102334 /nfs/dbraw/zinc/10/23/34/159102334.db2.gz PLDIJVQELSHDPF-BNOWGMLFSA-N 0 0 310.394 0.650 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@@H]1N1CCOCC1 ZINC000329757027 159117776 /nfs/dbraw/zinc/11/77/76/159117776.db2.gz ZBUVYAFJCADDQZ-OAGGEKHMSA-N 0 0 323.437 0.567 10 0 DCAERN O=C1CC[C@H]2CN(S(=O)(=O)NCc3ccccc3)CCN12 ZINC000329836429 159122896 /nfs/dbraw/zinc/12/28/96/159122896.db2.gz LSSIRGRKXIFQQE-ZDUSSCGKSA-N 0 0 309.391 0.328 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)sc1C ZINC000329897950 159127719 /nfs/dbraw/zinc/12/77/19/159127719.db2.gz LRXCTDPDCIAMIL-LBPRGKRZSA-N 0 0 318.420 0.940 10 0 DCAERN C[C@H](C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)N1CCOCC1 ZINC000329935325 159130188 /nfs/dbraw/zinc/13/01/88/159130188.db2.gz QYDALIJMNCTILA-CJNGLKHVSA-N 0 0 322.409 0.215 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000330092455 159141144 /nfs/dbraw/zinc/14/11/44/159141144.db2.gz YSLKKMWJRHEUSW-LBPRGKRZSA-N 0 0 314.411 0.785 10 0 DCAERN O=C([C@@H]1CCCO1)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090966 159141146 /nfs/dbraw/zinc/14/11/46/159141146.db2.gz XHPFHWZRTKFNSA-KGLIPLIRSA-N 0 0 307.394 0.073 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)COC2CCOCC2)n(C)n1 ZINC000330131530 159144133 /nfs/dbraw/zinc/14/41/33/159144133.db2.gz PTBXTTSUQYVSMU-UHFFFAOYSA-N 0 0 319.365 0.955 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000330131483 159144235 /nfs/dbraw/zinc/14/42/35/159144235.db2.gz KZHGURKYYYDFOW-SNVBAGLBSA-N 0 0 302.338 0.046 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)Cc2cc(C)on2)CC(C)(C)O1 ZINC000330519980 159185105 /nfs/dbraw/zinc/18/51/05/159185105.db2.gz PWJUHSSONIAPBQ-GFCCVEGCSA-N 0 0 318.395 0.939 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330547477 159190890 /nfs/dbraw/zinc/19/08/90/159190890.db2.gz ZVCLUBCYPQIVAS-JQWIXIFHSA-N 0 0 309.366 0.535 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1C)CCC2 ZINC000332696202 159210793 /nfs/dbraw/zinc/21/07/93/159210793.db2.gz YBPMAAWEWVOIGZ-NWDGAFQWSA-N 0 0 305.382 0.599 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000332815360 159214556 /nfs/dbraw/zinc/21/45/56/159214556.db2.gz ZFGZGHIBZGSVNB-MELADBBJSA-N 0 0 311.426 0.613 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCCO[C@H](C)C2)n1 ZINC000359248997 159256599 /nfs/dbraw/zinc/25/65/99/159256599.db2.gz UXGSBIJZXIMZLB-GFCCVEGCSA-N 0 0 321.377 0.386 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO)OCO2 ZINC000366860778 159293858 /nfs/dbraw/zinc/29/38/58/159293858.db2.gz CQHRMUOWXCMVCN-UWVGGRQHSA-N 0 0 317.338 0.817 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000366927623 159299054 /nfs/dbraw/zinc/29/90/54/159299054.db2.gz ZINXHSLZQWWJDH-JTQLQIEISA-N 0 0 323.378 0.859 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000367599118 159346572 /nfs/dbraw/zinc/34/65/72/159346572.db2.gz XPROUFZKLWZAJZ-FOGDFJRCSA-N 0 0 322.386 0.947 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000367741833 159354697 /nfs/dbraw/zinc/35/46/97/159354697.db2.gz VTYGLPVVMAZHCE-GFCCVEGCSA-N 0 0 301.350 0.972 10 0 DCAERN Cc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2=O)o1 ZINC000367948697 159366132 /nfs/dbraw/zinc/36/61/32/159366132.db2.gz WCPHLIUKQJMELD-NSHDSACASA-N 0 0 305.334 0.384 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000368353950 159388813 /nfs/dbraw/zinc/38/88/13/159388813.db2.gz FKYSDVFMYJOXLV-FVCCEPFGSA-N 0 0 318.439 0.802 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CC(=O)N(C)C1)[C@H]2C ZINC000368465581 159396699 /nfs/dbraw/zinc/39/66/99/159396699.db2.gz LZYRNQOXJNNKPT-WDEREUQCSA-N 0 0 320.397 0.718 10 0 DCAERN O=C(CCNC(=O)N1CCN2CCOC[C@H]2C1)N1CCCCC1 ZINC000368906742 159425537 /nfs/dbraw/zinc/42/55/37/159425537.db2.gz SUQVRPQWAFCNBH-CQSZACIVSA-N 0 0 324.425 0.115 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000370510466 159523351 /nfs/dbraw/zinc/52/33/51/159523351.db2.gz ZOVIXVZNDRZVLF-AVGNSLFASA-N 0 0 305.378 0.970 10 0 DCAERN CC(C)OC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCO1 ZINC000372212422 159608864 /nfs/dbraw/zinc/60/88/64/159608864.db2.gz SFVYKQCKMJAVGM-STQMWFEESA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000374963762 159762777 /nfs/dbraw/zinc/76/27/77/159762777.db2.gz PFWTVLNOYOUOFG-NSHDSACASA-N 0 0 303.370 0.724 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCN4CCOC[C@H]4C3)cc12 ZINC000374971855 159763429 /nfs/dbraw/zinc/76/34/29/159763429.db2.gz SVVHOFXQVXUIQO-CYBMUJFWSA-N 0 0 315.377 0.433 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375025811 159765921 /nfs/dbraw/zinc/76/59/21/159765921.db2.gz UREBFVZKMSKMJZ-SNVBAGLBSA-N 0 0 315.366 0.536 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375287133 159781665 /nfs/dbraw/zinc/78/16/65/159781665.db2.gz NGVJXQJWVCPXHJ-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN COc1ccnc(N2CCCN(C(=O)[C@](C)(O)C3CC3)CC2)n1 ZINC000376106667 159839507 /nfs/dbraw/zinc/83/95/07/159839507.db2.gz LBEXEJVTFTZVLD-MRXNPFEDSA-N 0 0 320.393 0.685 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCOC[C@@H](C)C2)c1 ZINC000378263123 159972732 /nfs/dbraw/zinc/97/27/32/159972732.db2.gz YHFSSLYTNAKIEF-PCAWENJQSA-N 0 0 303.362 0.949 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407957261 159996204 /nfs/dbraw/zinc/99/62/04/159996204.db2.gz MUDFMRBGKMYTHY-UHFFFAOYSA-N 0 0 301.412 0.270 10 0 DCAERN NC(=O)c1cn(C2CN(C(=O)[C@H]3CCCC(F)(F)C3)C2)nn1 ZINC000407966054 159998467 /nfs/dbraw/zinc/99/84/67/159998467.db2.gz MAVJSQZVNBKSQX-QMMMGPOBSA-N 0 0 313.308 0.586 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C(N)=O)O3)C2)[nH]n1 ZINC000407980465 160001286 /nfs/dbraw/zinc/00/12/86/160001286.db2.gz IZTCEPQNTUPAFM-RAIGVLPGSA-N 0 0 306.366 0.457 10 0 DCAERN CS(=O)(=O)N1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000407979777 160001871 /nfs/dbraw/zinc/00/18/71/160001871.db2.gz AWKQOARPADJQRH-ZDUSSCGKSA-N 0 0 306.428 0.497 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC000407990371 160004130 /nfs/dbraw/zinc/00/41/30/160004130.db2.gz NPTHZLROZAUJNL-QWRGUYRKSA-N 0 0 310.354 0.257 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000407989170 160004144 /nfs/dbraw/zinc/00/41/44/160004144.db2.gz IHCPYIKBFBNSHS-QWRGUYRKSA-N 0 0 320.397 0.595 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000407988730 160004380 /nfs/dbraw/zinc/00/43/80/160004380.db2.gz CYUILCCQBQMFRD-OLZOCXBDSA-N 0 0 313.423 0.876 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c[nH]1 ZINC000407996036 160006534 /nfs/dbraw/zinc/00/65/34/160006534.db2.gz KLNMGBJQNGVHKG-LBPRGKRZSA-N 0 0 306.366 0.429 10 0 DCAERN O=C(C1CCN(CC(F)(F)F)CC1)N1CCO[C@@H](CO)C1 ZINC000407999178 160007016 /nfs/dbraw/zinc/00/70/16/160007016.db2.gz UZFJUIVBTBAXGB-LLVKDONJSA-N 0 0 310.316 0.480 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCC[C@@H]3COCC[C@@H]32)C1=O ZINC000408002206 160007812 /nfs/dbraw/zinc/00/78/12/160007812.db2.gz DIRHVTKLYHBHRZ-OLZOCXBDSA-N 0 0 323.393 0.688 10 0 DCAERN CNC(=O)C1CCC(NC(=O)N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000408004933 160008581 /nfs/dbraw/zinc/00/85/81/160008581.db2.gz PXWQEIJWTNGIKM-JXQTWKCFSA-N 0 0 324.425 0.601 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408006803 160009509 /nfs/dbraw/zinc/00/95/09/160009509.db2.gz BUJYLKOWYFKDQD-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN C[C@@H](Cn1cncn1)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408007208 160009524 /nfs/dbraw/zinc/00/95/24/160009524.db2.gz GNQAWTSQRYRZQG-TUAOUCFPSA-N 0 0 301.416 0.479 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408019655 160012780 /nfs/dbraw/zinc/01/27/80/160012780.db2.gz YGMNVHFJRUCZHS-TZMCWYRMSA-N 0 0 318.439 0.710 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408019745 160012844 /nfs/dbraw/zinc/01/28/44/160012844.db2.gz ANIXEPFBOCTPQZ-VXGBXAGGSA-N 0 0 313.398 0.300 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000408018164 160013091 /nfs/dbraw/zinc/01/30/91/160013091.db2.gz YKXXPUQNJWSILO-SNVBAGLBSA-N 0 0 312.395 0.113 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCO[C@@H]1C ZINC000408026255 160014498 /nfs/dbraw/zinc/01/44/98/160014498.db2.gz DAGWTHOXKPXVRV-MXWKQRLJSA-N 0 0 306.384 0.026 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000408027858 160016022 /nfs/dbraw/zinc/01/60/22/160016022.db2.gz MYULZCWJBIGXES-NDBYEHHHSA-N 0 0 306.428 0.291 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)NCc2nnc3n2CCCCC3)N(C)C1 ZINC000408032554 160016511 /nfs/dbraw/zinc/01/65/11/160016511.db2.gz YQLPGIZUNPZSBV-RYUDHWBXSA-N 0 0 307.398 0.340 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000408031358 160016692 /nfs/dbraw/zinc/01/66/92/160016692.db2.gz MKSFZKDIGUYUCK-SGMGOOAPSA-N 0 0 313.423 0.617 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)ncn3C)C[C@H]1C(N)=O ZINC000408031277 160016741 /nfs/dbraw/zinc/01/67/41/160016741.db2.gz LVZRNQSMOQIBNO-MWLCHTKSSA-N 0 0 322.390 0.315 10 0 DCAERN O=C(N1CCCC1)[C@]1(O)CCCN(S(=O)(=O)CCCF)C1 ZINC000408031202 160017158 /nfs/dbraw/zinc/01/71/58/160017158.db2.gz RBWLZCHRHMGELN-ZDUSSCGKSA-N 0 0 322.402 0.125 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)N(C)C1 ZINC000408035621 160018837 /nfs/dbraw/zinc/01/88/37/160018837.db2.gz NCMXGBWOXBOJTO-RFGFWPKPSA-N 0 0 311.426 0.611 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CC2 ZINC000408038249 160019515 /nfs/dbraw/zinc/01/95/15/160019515.db2.gz LQBVJVRTYIINRM-MNOVXSKESA-N 0 0 318.377 0.711 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3COCC[C@H]32)co1 ZINC000408038663 160019637 /nfs/dbraw/zinc/01/96/37/160019637.db2.gz ONNBKHIHEBUZTD-MWLCHTKSSA-N 0 0 314.363 0.568 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000408042366 160020392 /nfs/dbraw/zinc/02/03/92/160020392.db2.gz KSWZLWFKSUKUOR-QWQWKMKNSA-N 0 0 322.409 0.210 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043388 160020709 /nfs/dbraw/zinc/02/07/09/160020709.db2.gz KFUKPKYLLLZUCR-KBUPBQIOSA-N 0 0 319.467 0.919 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000408042363 160020739 /nfs/dbraw/zinc/02/07/39/160020739.db2.gz KSWZLWFKSUKUOR-KVSVUVNWSA-N 0 0 322.409 0.210 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000408044410 160021404 /nfs/dbraw/zinc/02/14/04/160021404.db2.gz NOQMOPOLLVLTOG-SWLSCSKDSA-N 0 0 302.374 0.768 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2cnc3n[nH]c(C)c3c2)C1 ZINC000408046166 160021789 /nfs/dbraw/zinc/02/17/89/160021789.db2.gz AYTQMEKXHJQQBG-HNNXBMFYSA-N 0 0 317.349 0.578 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408047207 160022345 /nfs/dbraw/zinc/02/23/45/160022345.db2.gz FRXZXTBPHONDPM-VXGBXAGGSA-N 0 0 313.423 0.235 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(C)o1 ZINC000408048309 160022866 /nfs/dbraw/zinc/02/28/66/160022866.db2.gz MBJUUEGMVVHTNA-MNOVXSKESA-N 0 0 315.395 0.882 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 ZINC000408048202 160023171 /nfs/dbraw/zinc/02/31/71/160023171.db2.gz LTTWWNKIKZIRBE-NSHDSACASA-N 0 0 316.405 0.872 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000408055061 160025062 /nfs/dbraw/zinc/02/50/62/160025062.db2.gz QERGIPXXXIGXIH-MLGOLLRUSA-N 0 0 312.410 0.822 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000408054996 160025163 /nfs/dbraw/zinc/02/51/63/160025163.db2.gz VVWMHUQRGORBME-GDBMZVCRSA-N 0 0 322.361 0.553 10 0 DCAERN O=C(CC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000408057586 160025176 /nfs/dbraw/zinc/02/51/76/160025176.db2.gz WSIYWILQGGJWFA-ZDUSSCGKSA-N 0 0 307.394 0.374 10 0 DCAERN CN1CCc2ccc(C(=O)N3CCC(O)(C(N)=O)CC3)cc21 ZINC000408069651 160028359 /nfs/dbraw/zinc/02/83/59/160028359.db2.gz DZAIFKLNXXLDDD-UHFFFAOYSA-N 0 0 303.362 0.131 10 0 DCAERN COC(=O)c1cnc(C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000408078451 160031210 /nfs/dbraw/zinc/03/12/10/160031210.db2.gz CAELNKKSWAKFOL-NSHDSACASA-N 0 0 304.350 0.574 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)CC1)c1nnc2ccccn21 ZINC000408083185 160031509 /nfs/dbraw/zinc/03/15/09/160031509.db2.gz IJZRJTTWWJGVIW-SNVBAGLBSA-N 0 0 302.338 0.322 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082432 160032043 /nfs/dbraw/zinc/03/20/43/160032043.db2.gz PTTLMQXUQPKCOJ-HNNXBMFYSA-N 0 0 305.378 0.791 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@@H]1O ZINC000408086936 160032383 /nfs/dbraw/zinc/03/23/83/160032383.db2.gz AMHDZNQLMSZIFN-MNOVXSKESA-N 0 0 313.375 0.849 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c1 ZINC000408088813 160033209 /nfs/dbraw/zinc/03/32/09/160033209.db2.gz KUCMMXFEFQABIH-RYUDHWBXSA-N 0 0 301.412 0.931 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)[C@H](C)CO1 ZINC000408093770 160034244 /nfs/dbraw/zinc/03/42/44/160034244.db2.gz XEWBYJGEJFPXOU-VXGBXAGGSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408098086 160035237 /nfs/dbraw/zinc/03/52/37/160035237.db2.gz DCWDBKNSUAFWOT-SNVBAGLBSA-N 0 0 315.395 0.136 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1O ZINC000408096121 160035274 /nfs/dbraw/zinc/03/52/74/160035274.db2.gz VWRPQHOPEWURQR-NEPJUHHUSA-N 0 0 323.393 0.470 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)o1 ZINC000408099454 160035632 /nfs/dbraw/zinc/03/56/32/160035632.db2.gz WDPBZDLYWZJDJC-CYBMUJFWSA-N 0 0 314.407 0.931 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C)C[C@H]1C ZINC000408112000 160037968 /nfs/dbraw/zinc/03/79/68/160037968.db2.gz HRXYVPARVLGOJF-LLVKDONJSA-N 0 0 316.409 0.836 10 0 DCAERN NC(=O)N1CCCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000408124460 160041743 /nfs/dbraw/zinc/04/17/43/160041743.db2.gz PQBGRVRLXBJHPL-LLVKDONJSA-N 0 0 323.422 0.725 10 0 DCAERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000408128019 160042717 /nfs/dbraw/zinc/04/27/17/160042717.db2.gz ZLWCGWOHKWQVTE-NWDGAFQWSA-N 0 0 305.382 0.701 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000408127050 160042915 /nfs/dbraw/zinc/04/29/15/160042915.db2.gz VDJNNHZDGBUKNX-GHMZBOCLSA-N 0 0 303.366 0.455 10 0 DCAERN O=C(CN1CCCC1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408128328 160042966 /nfs/dbraw/zinc/04/29/66/160042966.db2.gz IUFLVMBAZNZXBZ-CYBMUJFWSA-N 0 0 307.394 0.470 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000408131914 160044351 /nfs/dbraw/zinc/04/43/51/160044351.db2.gz IPTRKDDNRJKEJR-CHWSQXEVSA-N 0 0 317.455 0.906 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408136405 160044882 /nfs/dbraw/zinc/04/48/82/160044882.db2.gz DMMKENROBJVTKB-QJPTWQEYSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000408137279 160044884 /nfs/dbraw/zinc/04/48/84/160044884.db2.gz DETMCTDGCUXLIO-LERXQTSPSA-N 0 0 303.362 0.816 10 0 DCAERN CC(C)(C)[C@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1O ZINC000408134890 160044976 /nfs/dbraw/zinc/04/49/76/160044976.db2.gz VHHKGOIRXMBZAJ-RYUDHWBXSA-N 0 0 306.428 0.292 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H]1CO ZINC000408140570 160045708 /nfs/dbraw/zinc/04/57/08/160045708.db2.gz RPCOGVSBYSSZRQ-MQYQWHSLSA-N 0 0 322.405 0.781 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408143814 160047056 /nfs/dbraw/zinc/04/70/56/160047056.db2.gz CQNASPYAGPSPOJ-LLVKDONJSA-N 0 0 310.441 0.130 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000408142473 160047109 /nfs/dbraw/zinc/04/71/09/160047109.db2.gz XAEZFMQLTODQIT-LBPRGKRZSA-N 0 0 313.427 0.114 10 0 DCAERN O=C(c1cccn1C1CCCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000408146349 160047517 /nfs/dbraw/zinc/04/75/17/160047517.db2.gz ZBDLVGJWZCVBIZ-ZDUSSCGKSA-N 0 0 316.361 0.979 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1 ZINC000408164511 160051154 /nfs/dbraw/zinc/05/11/54/160051154.db2.gz IFAPBLDKWJGSMD-NEPJUHHUSA-N 0 0 309.410 0.666 10 0 DCAERN COC1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408174324 160052625 /nfs/dbraw/zinc/05/26/25/160052625.db2.gz IZEWQADBMPWZBN-OCCSQVGLSA-N 0 0 306.366 0.187 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)[C@@H](C)O)C1 ZINC000408172876 160052747 /nfs/dbraw/zinc/05/27/47/160052747.db2.gz BLPRCUNCIIQILC-MNOVXSKESA-N 0 0 306.428 0.324 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(CCCO)CC1 ZINC000408178276 160053701 /nfs/dbraw/zinc/05/37/01/160053701.db2.gz WSZCLSWRJXSYBF-ZDUSSCGKSA-N 0 0 300.424 0.919 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408183778 160054405 /nfs/dbraw/zinc/05/44/05/160054405.db2.gz UEYFKARSQATKAY-UONOGXRCSA-N 0 0 319.471 0.758 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCN(C)c2cc(F)ccc21 ZINC000408185572 160055068 /nfs/dbraw/zinc/05/50/68/160055068.db2.gz KZDAIHZHEPJFRU-UHFFFAOYSA-N 0 0 315.370 0.500 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000408185842 160055401 /nfs/dbraw/zinc/05/54/01/160055401.db2.gz NHDCGNFRMOAIFA-LLVKDONJSA-N 0 0 300.384 0.355 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)NC1CC1 ZINC000408193442 160056833 /nfs/dbraw/zinc/05/68/33/160056833.db2.gz CJEALSQDBMVIEG-USWWRNFRSA-N 0 0 302.396 0.789 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CC(=O)N1 ZINC000408197624 160057541 /nfs/dbraw/zinc/05/75/41/160057541.db2.gz KZYSDARKVQTGEE-STQMWFEESA-N 0 0 305.378 0.839 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)CC(=O)N1 ZINC000408197623 160057547 /nfs/dbraw/zinc/05/75/47/160057547.db2.gz KZYSDARKVQTGEE-QWHCGFSZSA-N 0 0 305.378 0.839 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@@H](S(N)(=O)=O)C2)n1C ZINC000408196577 160057674 /nfs/dbraw/zinc/05/76/74/160057674.db2.gz DQHPKAYTQUYIFB-SNVBAGLBSA-N 0 0 301.416 0.191 10 0 DCAERN Cn1c(CN2CCC[C@H](S(N)(=O)=O)C2)nnc1C1CCC1 ZINC000408199701 160058355 /nfs/dbraw/zinc/05/83/55/160058355.db2.gz VWVFMBQDDOYTCS-NSHDSACASA-N 0 0 313.427 0.336 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)CC2 ZINC000408202113 160059107 /nfs/dbraw/zinc/05/91/07/160059107.db2.gz HOLXAHZGQBZGEC-WOPDTQHZSA-N 0 0 308.378 0.703 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000408202911 160059322 /nfs/dbraw/zinc/05/93/22/160059322.db2.gz JXGZGZSLQTZDEJ-HZSPNIEDSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)CC(=O)N1 ZINC000408205444 160060038 /nfs/dbraw/zinc/06/00/38/160060038.db2.gz YCUGVAPXBMGLKR-NWDGAFQWSA-N 0 0 320.368 0.784 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000408205458 160060132 /nfs/dbraw/zinc/06/01/32/160060132.db2.gz YHKYBGGNTYIVMQ-ZDUSSCGKSA-N 0 0 317.455 0.810 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(C)nc(C)n1 ZINC000408208213 160060638 /nfs/dbraw/zinc/06/06/38/160060638.db2.gz ZISIXCZUBRUZAK-NSHDSACASA-N 0 0 312.395 0.247 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000408211167 160060662 /nfs/dbraw/zinc/06/06/62/160060662.db2.gz MZQSNAQQULMWCA-PWSUYJOCSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208346 160060741 /nfs/dbraw/zinc/06/07/41/160060741.db2.gz VZUVMXLWYAQMPB-RYUDHWBXSA-N 0 0 305.444 0.150 10 0 DCAERN C[C@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[S@]1=O ZINC000408211075 160060868 /nfs/dbraw/zinc/06/08/68/160060868.db2.gz MOYDSRMRPYOIDP-WVDJIFEKSA-N 0 0 301.412 0.160 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408217062 160062528 /nfs/dbraw/zinc/06/25/28/160062528.db2.gz DMYNAGCPZFPSHE-VIFPVBQESA-N 0 0 301.455 0.188 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000408218234 160062538 /nfs/dbraw/zinc/06/25/38/160062538.db2.gz HLLUZYAYXFQXJK-XKGSQUFQSA-N 0 0 300.424 0.916 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000408222924 160062930 /nfs/dbraw/zinc/06/29/30/160062930.db2.gz RZYVAIACCXHYFA-MEBBXXQBSA-N 0 0 311.382 0.232 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000408222649 160063259 /nfs/dbraw/zinc/06/32/59/160063259.db2.gz DSXTXDYLKZCYLS-GFCCVEGCSA-N 0 0 324.425 0.553 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N(CCO)[C@@H]1CCCSC1 ZINC000408224750 160063586 /nfs/dbraw/zinc/06/35/86/160063586.db2.gz HZPNAMSSERZELK-VXGBXAGGSA-N 0 0 309.453 0.685 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000408224612 160064213 /nfs/dbraw/zinc/06/42/13/160064213.db2.gz GVVDAMYXWMVARP-PWSUYJOCSA-N 0 0 304.412 0.294 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2[C@@H](C)C2(F)F)C1 ZINC000408231258 160064411 /nfs/dbraw/zinc/06/44/11/160064411.db2.gz LSVPBWWHUCVQSM-OPRDCNLKSA-N 0 0 310.366 0.816 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000408229853 160064784 /nfs/dbraw/zinc/06/47/84/160064784.db2.gz YIPAYNLBMWMPFX-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@@H](S(C)(=O)=O)C2)n1C ZINC000408233454 160065834 /nfs/dbraw/zinc/06/58/34/160065834.db2.gz UTJPNMUXOYDTQS-LLVKDONJSA-N 0 0 300.428 0.948 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N[C@H]2CCCNC2=O)c1C ZINC000408236764 160066089 /nfs/dbraw/zinc/06/60/89/160066089.db2.gz QSIGKFLWIHVLNM-JTQLQIEISA-N 0 0 300.384 0.077 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)N2CCCC[C@@H]2C)CC1=O ZINC000408235873 160066204 /nfs/dbraw/zinc/06/62/04/160066204.db2.gz GMNQNDFAMBCMER-VOAKCMCISA-N 0 0 315.439 0.705 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1C ZINC000408239466 160066957 /nfs/dbraw/zinc/06/69/57/160066957.db2.gz YYNDZPRJORUABN-NSHDSACASA-N 0 0 314.411 0.419 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408239305 160067104 /nfs/dbraw/zinc/06/71/04/160067104.db2.gz WMKIJOQPOOIVAK-MNOVXSKESA-N 0 0 301.412 0.838 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CC1CCOCC1 ZINC000408242759 160067581 /nfs/dbraw/zinc/06/75/81/160067581.db2.gz XWOVHCCLMKHIGW-QWHCGFSZSA-N 0 0 318.439 0.780 10 0 DCAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000408242322 160067650 /nfs/dbraw/zinc/06/76/50/160067650.db2.gz SHSJGAMPSNYJII-QWRGUYRKSA-N 0 0 305.382 0.557 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)no1 ZINC000408241792 160067668 /nfs/dbraw/zinc/06/76/68/160067668.db2.gz MIOLIPCZQPWRHH-UWVGGRQHSA-N 0 0 301.368 0.573 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CC(F)(F)F ZINC000408242498 160067819 /nfs/dbraw/zinc/06/78/19/160067819.db2.gz VFCJMHGUWBEAFV-JGVFFNPUSA-N 0 0 302.318 0.915 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000408245589 160068328 /nfs/dbraw/zinc/06/83/28/160068328.db2.gz HAJZRYXPJPYNEY-CZUORRHYSA-N 0 0 307.394 0.374 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 ZINC000408246042 160068513 /nfs/dbraw/zinc/06/85/13/160068513.db2.gz KDAPSAUCQIGWHL-CYBMUJFWSA-N 0 0 318.381 0.478 10 0 DCAERN COCC[C@@H](C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408249101 160069270 /nfs/dbraw/zinc/06/92/70/160069270.db2.gz YRUMZEBFDCYJRA-RKDXNWHRSA-N 0 0 305.318 0.740 10 0 DCAERN CN(C)C(=O)CCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248720 160069461 /nfs/dbraw/zinc/06/94/61/160069461.db2.gz IHVNRQLOADNXSB-UHFFFAOYSA-N 0 0 304.412 0.281 10 0 DCAERN Cn1cccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1=O ZINC000408250792 160069767 /nfs/dbraw/zinc/06/97/67/160069767.db2.gz RGDVTPXFWRVOLB-UHFFFAOYSA-N 0 0 313.379 0.426 10 0 DCAERN CO[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CC[C@@H]1C ZINC000408256769 160070577 /nfs/dbraw/zinc/07/05/77/160070577.db2.gz MWRQZMYAJCVTOP-QWHCGFSZSA-N 0 0 313.398 0.302 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256095 160070618 /nfs/dbraw/zinc/07/06/18/160070618.db2.gz KGRSMRLQOZEQNE-BDAKNGLRSA-N 0 0 308.304 0.153 10 0 DCAERN CC(C)(C(N)=O)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000408258792 160071366 /nfs/dbraw/zinc/07/13/66/160071366.db2.gz BEHCANSAINIFSI-NSHDSACASA-N 0 0 319.409 0.238 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000408266379 160072841 /nfs/dbraw/zinc/07/28/41/160072841.db2.gz ZHWADPUMDWIJHH-GWCFXTLKSA-N 0 0 302.396 0.856 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2cn(C)cn2)CC[S@]1=O ZINC000408270181 160072885 /nfs/dbraw/zinc/07/28/85/160072885.db2.gz OHEDELFOWZUPPT-LJQANCHMSA-N 0 0 319.452 0.732 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CCN(CC(F)F)CC1 ZINC000408270843 160073625 /nfs/dbraw/zinc/07/36/25/160073625.db2.gz SWZTZSVGOYXRFY-UHFFFAOYSA-N 0 0 300.309 0.689 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000408274340 160074319 /nfs/dbraw/zinc/07/43/19/160074319.db2.gz KMGZVGWVVAEXNO-DGCLKSJQSA-N 0 0 320.411 0.011 10 0 DCAERN O=C(CC(=O)N1CCO[C@]2(CCOC2)C1)NCC(F)(F)F ZINC000408278277 160074903 /nfs/dbraw/zinc/07/49/03/160074903.db2.gz DOIXWDMEIVKVHO-LLVKDONJSA-N 0 0 310.272 0.073 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408277412 160075135 /nfs/dbraw/zinc/07/51/35/160075135.db2.gz OXNGMVMWDQENLR-BJOHPYRUSA-N 0 0 311.382 0.637 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000408288344 160076715 /nfs/dbraw/zinc/07/67/15/160076715.db2.gz XFQMHQHUECQXSS-SNVBAGLBSA-N 0 0 300.384 0.363 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000408290021 160077465 /nfs/dbraw/zinc/07/74/65/160077465.db2.gz HFRCFZVNFLYUQI-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)C1CCC(O)CC1 ZINC000408293761 160078329 /nfs/dbraw/zinc/07/83/29/160078329.db2.gz ZUMHEVIYZZKPRA-TUUUFIMRSA-N 0 0 318.439 0.514 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C)C1 ZINC000408293066 160078433 /nfs/dbraw/zinc/07/84/33/160078433.db2.gz WMBTVZNCCQVHEG-OLZOCXBDSA-N 0 0 317.455 0.952 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408295746 160078838 /nfs/dbraw/zinc/07/88/38/160078838.db2.gz WLHJTCBPOQNKHE-STQMWFEESA-N 0 0 304.350 0.332 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000408296063 160079280 /nfs/dbraw/zinc/07/92/80/160079280.db2.gz AGVIWDIYPKBTOB-NEPJUHHUSA-N 0 0 311.382 0.449 10 0 DCAERN C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)[S@](C)=O ZINC000408305115 160080867 /nfs/dbraw/zinc/08/08/67/160080867.db2.gz HEGHPOIFTMZOKR-WNMKIVHNSA-N 0 0 318.439 0.733 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)cc1F ZINC000408303337 160081003 /nfs/dbraw/zinc/08/10/03/160081003.db2.gz NZCDIZPWKLCWGA-VIFPVBQESA-N 0 0 302.327 0.070 10 0 DCAERN CC(C)Cc1nc(=N[C@@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000408311311 160082275 /nfs/dbraw/zinc/08/22/75/160082275.db2.gz YSKKIQVTXSMYTK-SNVBAGLBSA-N 0 0 318.468 0.994 10 0 DCAERN CNC(=O)CC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000408310607 160082464 /nfs/dbraw/zinc/08/24/64/160082464.db2.gz SVZVICMVHMSGRU-UHFFFAOYSA-N 0 0 309.410 0.810 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000408312752 160083458 /nfs/dbraw/zinc/08/34/58/160083458.db2.gz CAEWEOJLVQXOEN-VHSXEESVSA-N 0 0 302.396 0.114 10 0 DCAERN COC1(CNC(=O)N2CCO[C@H](CO)C2)CCC(C)CC1 ZINC000408311488 160083460 /nfs/dbraw/zinc/08/34/60/160083460.db2.gz ZFHJTCLAJDIHBP-OWYJLGKBSA-N 0 0 300.399 0.984 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318482 160084181 /nfs/dbraw/zinc/08/41/81/160084181.db2.gz ZMHIEUUTYPWWHZ-IUCAKERBSA-N 0 0 304.334 0.265 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CCOC(C)(C)C1)C2 ZINC000408323614 160084812 /nfs/dbraw/zinc/08/48/12/160084812.db2.gz ABYXXIQDRGIACR-NSHDSACASA-N 0 0 320.393 0.806 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)O1 ZINC000408321249 160084999 /nfs/dbraw/zinc/08/49/99/160084999.db2.gz ONSHLRJKHDHYKH-CMPLNLGQSA-N 0 0 304.412 0.436 10 0 DCAERN Cn1nc(CC(=O)N2CC[C@@](C)(O)C2)c2ccccc2c1=O ZINC000408327239 160085687 /nfs/dbraw/zinc/08/56/87/160085687.db2.gz APTJUZUPMMNIED-MRXNPFEDSA-N 0 0 301.346 0.459 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000408337480 160087414 /nfs/dbraw/zinc/08/74/14/160087414.db2.gz GNFZMLDPTWYNFK-BONVTDFDSA-N 0 0 311.382 0.374 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)O1 ZINC000408337572 160087822 /nfs/dbraw/zinc/08/78/22/160087822.db2.gz CKOFIXCMZVWDHF-IJLUTSLNSA-N 0 0 306.366 0.599 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[S@](C)=O ZINC000408339326 160088119 /nfs/dbraw/zinc/08/81/19/160088119.db2.gz PKRQDCCEHAABFU-ACQVZOFHSA-N 0 0 312.457 0.087 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408353386 160090058 /nfs/dbraw/zinc/09/00/58/160090058.db2.gz AXQUJQWBIKWYQB-FRRDWIJNSA-N 0 0 322.427 0.078 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)C(C)C)C[C@H]1OC ZINC000408358744 160091576 /nfs/dbraw/zinc/09/15/76/160091576.db2.gz PWSRUXGEZMLSJK-MGPQQGTHSA-N 0 0 312.410 0.896 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CCN1CCO ZINC000408366629 160093401 /nfs/dbraw/zinc/09/34/01/160093401.db2.gz MNEZEHBGHAHIRC-ZDUSSCGKSA-N 0 0 319.471 0.494 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000408374793 160094522 /nfs/dbraw/zinc/09/45/22/160094522.db2.gz MMIMPDHSXXZVGC-JSGCOSHPSA-N 0 0 300.424 0.919 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1OC ZINC000408386561 160097694 /nfs/dbraw/zinc/09/76/94/160097694.db2.gz PCAHHKYDHKFDQZ-IUCAKERBSA-N 0 0 309.775 0.108 10 0 DCAERN CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)N1CCOCC1 ZINC000408386226 160097734 /nfs/dbraw/zinc/09/77/34/160097734.db2.gz OVALYFOILOARPR-UHFFFAOYSA-N 0 0 314.411 0.228 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000408390169 160098112 /nfs/dbraw/zinc/09/81/12/160098112.db2.gz RNBRXGJDZTUEMW-AUZPSNTRSA-N 0 0 322.409 0.990 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000408391528 160098157 /nfs/dbraw/zinc/09/81/57/160098157.db2.gz CPIFISJQOXGRHU-KKUMJFAQSA-N 0 0 324.421 0.897 10 0 DCAERN CC(C)[C@H](O)C1(CNC(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000408392394 160099046 /nfs/dbraw/zinc/09/90/46/160099046.db2.gz BVTXWAAYBCIYAC-NSHDSACASA-N 0 0 304.412 0.224 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408394884 160099918 /nfs/dbraw/zinc/09/99/18/160099918.db2.gz RKGLQRPNMYRERX-RNJOBUHISA-N 0 0 322.427 0.124 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@]1(O)CCSC1 ZINC000408404228 160101353 /nfs/dbraw/zinc/10/13/53/160101353.db2.gz FTPAHOKFXYILHX-GXFFZTMASA-N 0 0 311.411 0.589 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CCO1 ZINC000408403779 160101393 /nfs/dbraw/zinc/10/13/93/160101393.db2.gz CPKQJEWLYGARNL-GHMZBOCLSA-N 0 0 323.353 0.005 10 0 DCAERN CS(=O)(=O)N1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408412187 160102504 /nfs/dbraw/zinc/10/25/04/160102504.db2.gz OOQLJLAQSMLZQQ-UHFFFAOYSA-N 0 0 310.423 0.827 10 0 DCAERN CN1CCN(CC(=O)NC[C@@]2(O)CCCC(C)(C)C2)CC1=O ZINC000408412761 160103395 /nfs/dbraw/zinc/10/33/95/160103395.db2.gz AIFCFMGDFXVAKV-MRXNPFEDSA-N 0 0 311.426 0.208 10 0 DCAERN CC(C)N(C)C(=O)CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408414437 160103602 /nfs/dbraw/zinc/10/36/02/160103602.db2.gz YFNNBWHAXREIPJ-UHFFFAOYSA-N 0 0 305.444 0.209 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H](O)C2CCCCC2)n1 ZINC000408413551 160103762 /nfs/dbraw/zinc/10/37/62/160103762.db2.gz DICALXULFJFVSI-YNEHKIRRSA-N 0 0 309.366 0.954 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408421543 160104258 /nfs/dbraw/zinc/10/42/58/160104258.db2.gz LKSGOXWMRKMCTH-NEPJUHHUSA-N 0 0 313.423 0.924 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000408429078 160105789 /nfs/dbraw/zinc/10/57/89/160105789.db2.gz WRLFICNERATSLB-JHJVBQTASA-N 0 0 324.425 0.601 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408431798 160106785 /nfs/dbraw/zinc/10/67/85/160106785.db2.gz BYWYXSIRDJUOLD-GARJFASQSA-N 0 0 312.457 0.044 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408435680 160107473 /nfs/dbraw/zinc/10/74/73/160107473.db2.gz ZDCDDRIBSBUKSC-MPKXVKKWSA-N 0 0 323.418 0.992 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@]3(C)CCCO3)CCO2)n1 ZINC000408444318 160109042 /nfs/dbraw/zinc/10/90/42/160109042.db2.gz URLMAJKFBIFNNL-HIFRSBDPSA-N 0 0 308.382 0.691 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449982 160110810 /nfs/dbraw/zinc/11/08/10/160110810.db2.gz CONXRNQFAPKVRB-QWHCGFSZSA-N 0 0 302.440 0.754 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408450780 160110898 /nfs/dbraw/zinc/11/08/98/160110898.db2.gz GFPBLQXPTLGVCZ-ZYANWLCNSA-N 0 0 301.412 0.077 10 0 DCAERN CNS(=O)(=O)N1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000408457051 160112917 /nfs/dbraw/zinc/11/29/17/160112917.db2.gz NGLYGVZARPAYQD-CYBMUJFWSA-N 0 0 321.443 0.002 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408460817 160113408 /nfs/dbraw/zinc/11/34/08/160113408.db2.gz RLPAOEAOBYYBCW-MELADBBJSA-N 0 0 320.455 0.394 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000408463468 160113720 /nfs/dbraw/zinc/11/37/20/160113720.db2.gz BWSZCUHBTRMMCY-NSHDSACASA-N 0 0 301.416 0.925 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1NC(=O)CC12CCCCC2 ZINC000408469039 160114101 /nfs/dbraw/zinc/11/41/01/160114101.db2.gz SCQQZRMGTMICBH-UHFFFAOYSA-N 0 0 310.398 0.908 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408466568 160114471 /nfs/dbraw/zinc/11/44/71/160114471.db2.gz MLPRTEZXWXRRNU-RYUDHWBXSA-N 0 0 323.393 0.470 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CC2CC2)CC1 ZINC000408466839 160114574 /nfs/dbraw/zinc/11/45/74/160114574.db2.gz MONRMKCFYQCZCB-JTQLQIEISA-N 0 0 318.443 0.403 10 0 DCAERN COc1ccc(N2CCN(C(=O)[C@]3(O)CCSC3)CC2)nc1 ZINC000408466609 160115027 /nfs/dbraw/zinc/11/50/27/160115027.db2.gz MMOSSXABCLEVGF-HNNXBMFYSA-N 0 0 323.418 0.607 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000408470292 160115148 /nfs/dbraw/zinc/11/51/48/160115148.db2.gz QNHJJFBYTBIICD-LLVKDONJSA-N 0 0 311.411 0.205 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NCc3ccnn3C)n2)cc1 ZINC000073746192 286914322 /nfs/dbraw/zinc/91/43/22/286914322.db2.gz XVUXLPMEYBCXKR-UHFFFAOYSA-N 0 0 311.349 0.698 10 0 DCAERN COCCN1C[C@H](C(=O)NC[C@@](C)(O)CCC(C)C)CC1=O ZINC000075130021 286917474 /nfs/dbraw/zinc/91/74/74/286917474.db2.gz PWHNYAFZTUWOQY-CJNGLKHVSA-N 0 0 314.426 0.785 10 0 DCAERN CN(C)c1cc(CNC(=O)CNC(N)=O)c2ccccc2n1 ZINC000075560662 286918111 /nfs/dbraw/zinc/91/81/11/286918111.db2.gz QOIZXHSUWMZDQY-UHFFFAOYSA-N 0 0 301.350 0.585 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CCNC(=O)C1 ZINC000089991339 286933833 /nfs/dbraw/zinc/93/38/33/286933833.db2.gz FCOBAJJYDSQCHL-LURJTMIESA-N 0 0 314.139 0.602 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)c[nH]1 ZINC000091783455 286936693 /nfs/dbraw/zinc/93/66/93/286936693.db2.gz NDLSFUUDSJLDCY-MRVPVSSYSA-N 0 0 302.128 0.104 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000126446771 286971531 /nfs/dbraw/zinc/97/15/31/286971531.db2.gz JLILCZMFQMLZCI-NSHDSACASA-N 0 0 322.365 0.611 10 0 DCAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)NCc1ccco1 ZINC000128761978 286984553 /nfs/dbraw/zinc/98/45/53/286984553.db2.gz KBKJOGSUEQLBRE-VIFPVBQESA-N 0 0 318.333 0.152 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(C)(C)C)C[C@H](C)O1 ZINC000128755814 286984718 /nfs/dbraw/zinc/98/47/18/286984718.db2.gz ZTPRPQFUWHRFQZ-TUAOUCFPSA-N 0 0 308.444 0.727 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccco2)C1 ZINC000132221412 287004194 /nfs/dbraw/zinc/00/41/94/287004194.db2.gz ONSORMJUWRNLJO-WDEREUQCSA-N 0 0 322.365 0.239 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC000132297789 287004854 /nfs/dbraw/zinc/00/48/54/287004854.db2.gz SYAHMKCUKQOBKF-MNOVXSKESA-N 0 0 307.350 0.560 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000131394258 287000044 /nfs/dbraw/zinc/00/00/44/287000044.db2.gz GAQQSMABBNUPPU-UHFFFAOYSA-N 0 0 319.336 0.919 10 0 DCAERN CCS(=O)(=O)NCCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000133361287 287010118 /nfs/dbraw/zinc/01/01/18/287010118.db2.gz QNVHJYWCLBHLFZ-NSHDSACASA-N 0 0 308.444 0.978 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000135610010 287023986 /nfs/dbraw/zinc/02/39/86/287023986.db2.gz OPZVHAQEALSGPB-QWHCGFSZSA-N 0 0 306.428 0.148 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCN(C)CC(F)(F)F ZINC000135519196 287022752 /nfs/dbraw/zinc/02/27/52/287022752.db2.gz NMQAENBMMIMVOQ-ZJUUUORDSA-N 0 0 318.361 0.967 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000152708293 287043563 /nfs/dbraw/zinc/04/35/63/287043563.db2.gz ZKJZANPJSASUJY-UHFFFAOYSA-N 0 0 314.430 0.705 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC000152827109 287044555 /nfs/dbraw/zinc/04/45/55/287044555.db2.gz RTWKKQSXXNVZSS-DLOVCJGASA-N 0 0 307.398 0.992 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCCCCC2)CCS1(=O)=O ZINC000152938870 287045090 /nfs/dbraw/zinc/04/50/90/287045090.db2.gz KDCHLLHIOYVTOY-UHFFFAOYSA-N 0 0 324.468 0.616 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2ncon2)cc1 ZINC000153249514 287048501 /nfs/dbraw/zinc/04/85/01/287048501.db2.gz BSVCUDBDRBHLFC-JTQLQIEISA-N 0 0 300.274 0.272 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000153479234 287050625 /nfs/dbraw/zinc/05/06/25/287050625.db2.gz RVANSYKZXUTYDI-RWMBFGLXSA-N 0 0 302.330 0.720 10 0 DCAERN Cn1cnc2cc(C(=O)NCCN3CCOC(C)(C)C3)cnc21 ZINC000181009036 287056008 /nfs/dbraw/zinc/05/60/08/287056008.db2.gz XGJDXHRKHYKARX-UHFFFAOYSA-N 0 0 317.393 0.809 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H](C)O1 ZINC000245597888 287071167 /nfs/dbraw/zinc/07/11/67/287071167.db2.gz DFUSLYLDYPCWDN-RVMXOQNASA-N 0 0 318.439 0.682 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)C(C)(C)C)[C@@H](C)CO1 ZINC000246228279 287079645 /nfs/dbraw/zinc/07/96/45/287079645.db2.gz WPMZEXSFFXXCHW-QJPTWQEYSA-N 0 0 308.444 0.727 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246226272 287079662 /nfs/dbraw/zinc/07/96/62/287079662.db2.gz VZIZVLHMVXYHFQ-QWHCGFSZSA-N 0 0 308.444 0.130 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246418969 287083104 /nfs/dbraw/zinc/08/31/04/287083104.db2.gz VKRYCYNMHQNTMZ-OLZOCXBDSA-N 0 0 317.455 0.114 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246506982 287084537 /nfs/dbraw/zinc/08/45/37/287084537.db2.gz SXUODJLWHNETCA-CABCVRRESA-N 0 0 316.361 0.893 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000247152603 287091398 /nfs/dbraw/zinc/09/13/98/287091398.db2.gz UHYZQQLMKUUIHI-CHWSQXEVSA-N 0 0 312.410 0.945 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000248644633 287099121 /nfs/dbraw/zinc/09/91/21/287099121.db2.gz NYEVDLGBBHPBDP-JTQLQIEISA-N 0 0 310.441 0.082 10 0 DCAERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000248781472 287101545 /nfs/dbraw/zinc/10/15/45/287101545.db2.gz BWMITJUWSNQABP-ZZPLEAIBSA-N 0 0 315.439 0.596 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000248980928 287104528 /nfs/dbraw/zinc/10/45/28/287104528.db2.gz VIJLTSDHZSIBCS-YNEHKIRRSA-N 0 0 306.428 0.194 10 0 DCAERN CN(C)c1noc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)n1 ZINC000249554715 287113908 /nfs/dbraw/zinc/11/39/08/287113908.db2.gz LRIVZNDJGNBQSQ-WDEREUQCSA-N 0 0 316.427 0.923 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)[C@@H](C)CO1 ZINC000249449642 287110919 /nfs/dbraw/zinc/11/09/19/287110919.db2.gz MAKPRLXMTSCKPG-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000249489179 287111906 /nfs/dbraw/zinc/11/19/06/287111906.db2.gz XWPJUXSUZBWCBL-MJBXVCDLSA-N 0 0 320.455 0.825 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000249518370 287112615 /nfs/dbraw/zinc/11/26/15/287112615.db2.gz KTLQHXDJMFDLFX-NEPJUHHUSA-N 0 0 309.414 0.560 10 0 DCAERN C[C@@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)C(=O)N1CCCCC1 ZINC000249705068 287117381 /nfs/dbraw/zinc/11/73/81/287117381.db2.gz AENHHNDUCPCYCO-MGPQQGTHSA-N 0 0 311.426 0.613 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@@]2(CCOC2)O1 ZINC000330067112 287167178 /nfs/dbraw/zinc/16/71/78/287167178.db2.gz UEIMAAKYLCKFPD-IIAWOOMASA-N 0 0 310.394 0.794 10 0 DCAERN CC(C)[C@@H](C(=O)NC[C@H](CO)C1CC1)N1CCCS1(=O)=O ZINC000358309380 287206751 /nfs/dbraw/zinc/20/67/51/287206751.db2.gz PSHDOMIIJOYRGW-OLZOCXBDSA-N 0 0 318.439 0.181 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1nnc2cc(C)ccn21 ZINC000088253456 411890123 /nfs/dbraw/zinc/89/01/23/411890123.db2.gz ZKFMREPULMEKQU-UHFFFAOYSA-N 0 0 311.367 0.258 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccn(C)n1 ZINC000623583103 412289296 /nfs/dbraw/zinc/28/92/96/412289296.db2.gz SOPQSDBNOZOROZ-UHFFFAOYSA-N 0 0 309.370 0.168 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)Nc2cnn(CC(N)=O)c2)n1 ZINC000543365729 412307428 /nfs/dbraw/zinc/30/74/28/412307428.db2.gz FEGJRZYOGVUCQD-UHFFFAOYSA-N 0 0 306.330 0.359 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408204739 287268473 /nfs/dbraw/zinc/26/84/73/287268473.db2.gz OQZYUJWRTPXNSV-LNLATYFQSA-N 0 0 308.300 0.817 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](C(=O)OC)[C@H](C)C2)CC(=O)N1 ZINC000408323518 287292012 /nfs/dbraw/zinc/29/20/12/287292012.db2.gz ZFBUNMVDKYQFFB-YVECIDJPSA-N 0 0 310.394 0.949 10 0 DCAERN CC1CC(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000268067131 415151862 /nfs/dbraw/zinc/15/18/62/415151862.db2.gz VJDRVQYZGDIQHX-UHFFFAOYSA-N 0 0 315.381 0.754 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000267709801 415149487 /nfs/dbraw/zinc/14/94/87/415149487.db2.gz QUCVNUQUMVJKAX-VXGBXAGGSA-N 0 0 317.393 0.804 10 0 DCAERN Cc1cc(C)n2c(nnc2SC[C@H](O)CN2CCOCC2)n1 ZINC000038391749 415193873 /nfs/dbraw/zinc/19/38/73/415193873.db2.gz IVMJBKGWOZYXJS-GFCCVEGCSA-N 0 0 323.422 0.526 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CCSC[C@H]1CCO ZINC000342481948 415189556 /nfs/dbraw/zinc/18/95/56/415189556.db2.gz AWYKGMGIYBEXCT-SNVBAGLBSA-N 0 0 302.421 0.757 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CCSC[C@@H]1CCO ZINC000342481945 415190026 /nfs/dbraw/zinc/19/00/26/415190026.db2.gz AWYKGMGIYBEXCT-JTQLQIEISA-N 0 0 302.421 0.757 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccc(C(N)=O)cc1)N1CCOCC1 ZINC000043712329 415214820 /nfs/dbraw/zinc/21/48/20/415214820.db2.gz VRORLIASJAYGBW-NSHDSACASA-N 0 0 306.366 0.628 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000268531559 415236510 /nfs/dbraw/zinc/23/65/10/415236510.db2.gz DHBDEZUIGQJHOV-MXWKQRLJSA-N 0 0 316.365 0.482 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000276033328 415416783 /nfs/dbraw/zinc/41/67/83/415416783.db2.gz DWCJTYUSYWYBMT-SCVCMEIPSA-N 0 0 313.379 0.382 10 0 DCAERN O=C(N[C@H]1CCCc2c[nH]nc21)N1CCO[C@@]2(CCOC2)C1 ZINC000274619963 415361050 /nfs/dbraw/zinc/36/10/50/415361050.db2.gz FPJHLTYEPZQPRP-WFASDCNBSA-N 0 0 306.366 0.988 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067198113 415375498 /nfs/dbraw/zinc/37/54/98/415375498.db2.gz MSKZRPHBTIBRKN-AWEZNQCLSA-N 0 0 305.378 0.280 10 0 DCAERN CNC(=O)Cc1nc(CN2CCCC[C@@H]2C(=O)OC)cs1 ZINC000081646838 415482721 /nfs/dbraw/zinc/48/27/21/415482721.db2.gz OHYDQFPEGQMFRC-LLVKDONJSA-N 0 0 311.407 0.959 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081048121 415485255 /nfs/dbraw/zinc/48/52/55/415485255.db2.gz WYJCVPDYTGFVQO-LDYMZIIASA-N 0 0 311.304 0.608 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCOC[C@@H]2C)nn1 ZINC000332833285 415489258 /nfs/dbraw/zinc/48/92/58/415489258.db2.gz UCUZOFCUDMVZCO-YRRQLQLVSA-N 0 0 310.354 0.019 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000332859131 415497062 /nfs/dbraw/zinc/49/70/62/415497062.db2.gz BQKXQKGYZOUOOZ-UTUOFQBUSA-N 0 0 320.411 0.009 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000332691409 415440434 /nfs/dbraw/zinc/44/04/34/415440434.db2.gz SPHSKKCUXQJLEP-QJPTWQEYSA-N 0 0 305.382 0.412 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000332768954 415469897 /nfs/dbraw/zinc/46/98/97/415469897.db2.gz FBHXYTFYXVQTTE-WHOHXGKFSA-N 0 0 307.354 0.676 10 0 DCAERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000276334276 415470389 /nfs/dbraw/zinc/47/03/89/415470389.db2.gz LLTGGXNRNOFSQQ-NKWVEPMBSA-N 0 0 307.272 0.774 10 0 DCAERN CN(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCNC1=O ZINC000332799901 415479483 /nfs/dbraw/zinc/47/94/83/415479483.db2.gz RCDJXQRYILDPMX-WCQYABFASA-N 0 0 322.409 0.450 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)C2CC(O)C2)c1 ZINC000353338195 415509741 /nfs/dbraw/zinc/50/97/41/415509741.db2.gz OXDUPWWJLFLRJJ-UHFFFAOYSA-N 0 0 319.361 0.590 10 0 DCAERN CCCCCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086431354 415510095 /nfs/dbraw/zinc/51/00/95/415510095.db2.gz GTKGLNDJSSMULF-UHFFFAOYSA-N 0 0 302.338 0.907 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(C)C ZINC000089797367 415521313 /nfs/dbraw/zinc/52/13/13/415521313.db2.gz DDGQIFLSYBKPFI-GFCCVEGCSA-N 0 0 317.349 0.761 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000333030346 415534589 /nfs/dbraw/zinc/53/45/89/415534589.db2.gz CBCMLOUNRCUGQH-CMPLNLGQSA-N 0 0 305.382 0.686 10 0 DCAERN O=C(COC[C@H]1CCOC1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333028427 415535368 /nfs/dbraw/zinc/53/53/68/415535368.db2.gz GWOHGDYMRLQNIX-ZNMIVQPWSA-N 0 0 324.421 0.947 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)c2ccc3c(n2)CCCC3)CCO1 ZINC000333062342 415543767 /nfs/dbraw/zinc/54/37/67/415543767.db2.gz ISKUMXUWCNYQAE-AWEZNQCLSA-N 0 0 317.389 0.938 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 ZINC000092970093 415544572 /nfs/dbraw/zinc/54/45/72/415544572.db2.gz WQVYLVWQOSVIJT-UHFFFAOYSA-N 0 0 315.391 0.794 10 0 DCAERN CN1CCN(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1=O ZINC000333096647 415556808 /nfs/dbraw/zinc/55/68/08/415556808.db2.gz DRIJJSQUSVIZCO-HNNXBMFYSA-N 0 0 323.437 0.711 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333107739 415556917 /nfs/dbraw/zinc/55/69/17/415556917.db2.gz WQZCQPZXFPJKBT-ILXRZTDVSA-N 0 0 321.421 0.905 10 0 DCAERN Cc1cc2c(cc1C)[C@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)CO2 ZINC000284939744 415603013 /nfs/dbraw/zinc/60/30/13/415603013.db2.gz CMYRLAOOGXYTDP-KYOSRNDESA-N 0 0 318.373 0.881 10 0 DCAERN COC[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CC(C)(C)O1 ZINC000343546787 415631753 /nfs/dbraw/zinc/63/17/53/415631753.db2.gz WZFFKSPXUDSGKU-ZDUSSCGKSA-N 0 0 322.409 0.943 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000343548632 415633582 /nfs/dbraw/zinc/63/35/82/415633582.db2.gz ZKYLXRMAQNCWAL-LBPRGKRZSA-N 0 0 318.439 0.909 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCCOCC1 ZINC000333423135 415643382 /nfs/dbraw/zinc/64/33/82/415643382.db2.gz GKLZKKWHPFUBOD-MNOVXSKESA-N 0 0 305.400 0.018 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333218891 415585278 /nfs/dbraw/zinc/58/52/78/415585278.db2.gz WCJSHNLNGMIFRP-NDBYEHHHSA-N 0 0 316.423 0.030 10 0 DCAERN C[C@@H]1CN(c2nnc(-c3cccn3C)n2C)CCS1(=O)=O ZINC000283331729 415589266 /nfs/dbraw/zinc/58/92/66/415589266.db2.gz ZOTUPDGSPDYDCJ-SNVBAGLBSA-N 0 0 309.395 0.444 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cc21 ZINC000284167702 415592378 /nfs/dbraw/zinc/59/23/78/415592378.db2.gz RJJHHXRXOSQDFP-CABCVRRESA-N 0 0 315.377 0.513 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cn12 ZINC000284320283 415593698 /nfs/dbraw/zinc/59/36/98/415593698.db2.gz BCSVDKMYWVDIGY-KBPBESRZSA-N 0 0 315.377 0.583 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)N2CC(=O)N(CC3CC3)C2)CCO1 ZINC000333268995 415599362 /nfs/dbraw/zinc/59/93/62/415599362.db2.gz CDMWUGJJQFZZAG-JQWIXIFHSA-N 0 0 302.396 0.395 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000333453168 415652904 /nfs/dbraw/zinc/65/29/04/415652904.db2.gz ZAJDCPOFHIRLKS-LLVKDONJSA-N 0 0 304.358 0.741 10 0 DCAERN C[C@H]1C[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CO1 ZINC000333463222 415655160 /nfs/dbraw/zinc/65/51/60/415655160.db2.gz QAGMORJRQYOQMU-RYUDHWBXSA-N 0 0 302.440 0.371 10 0 DCAERN CC(C)(C)c1noc(OCC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000107421839 415668035 /nfs/dbraw/zinc/66/80/35/415668035.db2.gz XKRZXIHZCAEQEY-SECBINFHSA-N 0 0 310.354 0.470 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CC[C@@](C)(O)C3)O2)n1 ZINC000333511939 415670867 /nfs/dbraw/zinc/67/08/67/415670867.db2.gz FIZSHLYMYFKPJW-UHIISALHSA-N 0 0 310.354 0.764 10 0 DCAERN Cc1cc(N(C)C)nc(NC(=O)N2CCN(C(=O)C3CC3)C2)n1 ZINC000333520527 415672529 /nfs/dbraw/zinc/67/25/29/415672529.db2.gz KONFULBQLJOJCC-UHFFFAOYSA-N 0 0 318.381 0.895 10 0 DCAERN CCn1c(CN2CCN(CC(N)=O)CC2)nc2cc(F)ccc21 ZINC000107676822 415673155 /nfs/dbraw/zinc/67/31/55/415673155.db2.gz AKTDYPRCLRUQQC-UHFFFAOYSA-N 0 0 319.384 0.798 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000333592008 415689431 /nfs/dbraw/zinc/68/94/31/415689431.db2.gz LIERPOVANOUXBI-AGIUHOORSA-N 0 0 323.397 0.949 10 0 DCAERN CC(C)Cn1ccnc(NCC(C)(C)NS(C)(=O)=O)c1=O ZINC000111773933 415696086 /nfs/dbraw/zinc/69/60/86/415696086.db2.gz WQOOPOLVWLGKLI-UHFFFAOYSA-N 0 0 316.427 0.639 10 0 DCAERN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C1CC1 ZINC000333623012 415697200 /nfs/dbraw/zinc/69/72/00/415697200.db2.gz YUJKBBHNMBIPML-NEPJUHHUSA-N 0 0 300.424 0.649 10 0 DCAERN CC(C)n1nnnc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000111302383 415692974 /nfs/dbraw/zinc/69/29/74/415692974.db2.gz OBECPADTOKDRJE-AWEZNQCLSA-N 0 0 308.430 0.941 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N[C@@H]3CCc4ncnn4C3)cnc2n1 ZINC000112725432 415716237 /nfs/dbraw/zinc/71/62/37/415716237.db2.gz VQIZBVRBFNEBSB-SNVBAGLBSA-N 0 0 324.344 0.980 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCOC(C)(C)C1)CC2 ZINC000114978447 415724395 /nfs/dbraw/zinc/72/43/95/415724395.db2.gz LZCWEZPSVGCTQG-LLVKDONJSA-N 0 0 307.398 0.976 10 0 DCAERN CCCCN(CCO)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114977512 415724585 /nfs/dbraw/zinc/72/45/85/415724585.db2.gz JECZQLBVVPGWKJ-LBPRGKRZSA-N 0 0 309.414 0.959 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000333651302 415706168 /nfs/dbraw/zinc/70/61/68/415706168.db2.gz VULCGSZTJOAIKV-FZMZJTMJSA-N 0 0 300.378 0.340 10 0 DCAERN O=C([C@H]1CCCC[C@@H]1C(=O)N1CCNC(=O)CC1)N1CCCC1 ZINC000112279346 415709678 /nfs/dbraw/zinc/70/96/78/415709678.db2.gz KRLJBARPRIYQKS-KBPBESRZSA-N 0 0 321.421 0.764 10 0 DCAERN CN(CC(=O)N[C@@H]1CCc2ncnn2C1)C(=O)OC(C)(C)C ZINC000112661864 415713545 /nfs/dbraw/zinc/71/35/45/415713545.db2.gz IYJHBXCWUDBUFW-SNVBAGLBSA-N 0 0 309.370 0.576 10 0 DCAERN CCOCCN1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000118983294 415736689 /nfs/dbraw/zinc/73/66/89/415736689.db2.gz WCRKFFQAQXEVNW-KGLIPLIRSA-N 0 0 306.472 0.710 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOCC1CCOCC1 ZINC000120236961 415760824 /nfs/dbraw/zinc/76/08/24/415760824.db2.gz JPPRQXAUXQJGOP-UHFFFAOYSA-N 0 0 323.393 0.687 10 0 DCAERN O=S(=O)(N[C@H]1CCc2nnnn2CC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333897443 415761574 /nfs/dbraw/zinc/76/15/74/415761574.db2.gz YMOFOROIVDYXJP-RHYQMDGZSA-N 0 0 311.411 0.486 10 0 DCAERN O=C1NC[C@@H]2CN(Cc3ccccc3OC3CC3)CCN2C1=O ZINC000290164269 415771514 /nfs/dbraw/zinc/77/15/14/415771514.db2.gz XVUYYAQPVQKMOB-CYBMUJFWSA-N 0 0 315.373 0.370 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1(C(N)=O)CCCC1 ZINC000120107000 415756871 /nfs/dbraw/zinc/75/68/71/415756871.db2.gz FJLZHKOUELXPOV-KBPBESRZSA-N 0 0 323.437 0.886 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000122527880 415837054 /nfs/dbraw/zinc/83/70/54/415837054.db2.gz WJGGILUBMHZXQD-NSHDSACASA-N 0 0 318.333 0.874 10 0 DCAERN CNC(=O)Cc1nc(CNC2(C(N)=O)CCCCC2)cs1 ZINC000123054049 415839949 /nfs/dbraw/zinc/83/99/49/415839949.db2.gz YGOCTGSJDLSRKC-UHFFFAOYSA-N 0 0 310.423 0.709 10 0 DCAERN C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1F ZINC000123356143 415842996 /nfs/dbraw/zinc/84/29/96/415842996.db2.gz HHQCWACUNSCDAV-HQJQHLMTSA-N 0 0 311.288 0.783 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)O1 ZINC000123901354 415844502 /nfs/dbraw/zinc/84/45/02/415844502.db2.gz LDHABPRZYWRKBN-KBPBESRZSA-N 0 0 309.410 0.321 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)O1 ZINC000123900935 415845352 /nfs/dbraw/zinc/84/53/52/415845352.db2.gz LDHABPRZYWRKBN-UONOGXRCSA-N 0 0 309.410 0.321 10 0 DCAERN COCCN1CCN(C(=O)c2cccc(OC)c2F)CC1=O ZINC000120923877 415784018 /nfs/dbraw/zinc/78/40/18/415784018.db2.gz HGWKWOALRSMDBC-UHFFFAOYSA-N 0 0 310.325 0.765 10 0 DCAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N1CCC[C@H]1CO ZINC000120908224 415784265 /nfs/dbraw/zinc/78/42/65/415784265.db2.gz LTPCIWSARDSOKY-NSHDSACASA-N 0 0 315.333 0.189 10 0 DCAERN Cc1cccc2nc(CNC(=O)CN3CC(=O)NC3=O)n(C)c21 ZINC000120827167 415785161 /nfs/dbraw/zinc/78/51/61/415785161.db2.gz XTPWFLVEUOIEAK-UHFFFAOYSA-N 0 0 315.333 0.050 10 0 DCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000121416176 415805982 /nfs/dbraw/zinc/80/59/82/415805982.db2.gz GUAYANKLDSACLG-UMNHJUIQSA-N 0 0 301.368 0.300 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C)cc1 ZINC000121970827 415820928 /nfs/dbraw/zinc/82/09/28/415820928.db2.gz PWVRJFJYLRGERU-MNOVXSKESA-N 0 0 312.391 0.844 10 0 DCAERN CCC[C@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000126180151 415874385 /nfs/dbraw/zinc/87/43/85/415874385.db2.gz GDBXWVBYCAFFRV-RYUDHWBXSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@@H](CNC(=O)N1CCC(CC(N)=O)CC1)N1CCOCC1 ZINC000126512443 415877343 /nfs/dbraw/zinc/87/73/43/415877343.db2.gz CFRQHXJNVWIBON-LBPRGKRZSA-N 0 0 312.414 0.004 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000126789045 415878817 /nfs/dbraw/zinc/87/88/17/415878817.db2.gz NZUWDPCXYIJOCT-MRVPVSSYSA-N 0 0 322.287 0.613 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000128255243 415895502 /nfs/dbraw/zinc/89/55/02/415895502.db2.gz LVSWKALOYSQUNY-QWHCGFSZSA-N 0 0 322.409 0.452 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000128474793 415898764 /nfs/dbraw/zinc/89/87/64/415898764.db2.gz GRLSFNMTCARUKA-ZYHUDNBSSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H](CO)NC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000129234716 415907743 /nfs/dbraw/zinc/90/77/43/415907743.db2.gz DVVXVNCBWZWYJI-SECBINFHSA-N 0 0 300.355 0.994 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000130475404 415918548 /nfs/dbraw/zinc/91/85/48/415918548.db2.gz BWNKVSUQYHMPRL-RYUDHWBXSA-N 0 0 308.378 0.787 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000131061938 415925570 /nfs/dbraw/zinc/92/55/70/415925570.db2.gz FXELRQBJLXFJSO-QWHCGFSZSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000125376450 415864894 /nfs/dbraw/zinc/86/48/94/415864894.db2.gz BJTOTOVDBBRJHT-SNVBAGLBSA-N 0 0 300.322 0.612 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)NCCNC(C)=O)C1 ZINC000133413452 415945684 /nfs/dbraw/zinc/94/56/84/415945684.db2.gz IILZBQCMFAPKRL-ZDUSSCGKSA-N 0 0 320.393 0.709 10 0 DCAERN Cc1ccc(Cl)c(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC000133729014 415948780 /nfs/dbraw/zinc/94/87/80/415948780.db2.gz PSENVUVOJFRGEQ-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133729224 415949676 /nfs/dbraw/zinc/94/96/76/415949676.db2.gz OPMAXRXAKIMVMV-UHFFFAOYSA-N 0 0 310.741 0.330 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCCC[C@@H]1CO ZINC000151114466 415963758 /nfs/dbraw/zinc/96/37/58/415963758.db2.gz DZIUIRMOJZTJCF-MQYQWHSLSA-N 0 0 322.405 0.829 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCN1CCC1 ZINC000337521461 415971194 /nfs/dbraw/zinc/97/11/94/415971194.db2.gz XYNAOLNKTLOYJC-UHFFFAOYSA-N 0 0 318.377 0.430 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1C ZINC000152944950 415972974 /nfs/dbraw/zinc/97/29/74/415972974.db2.gz OWZNVDRYWFLHHB-UHFFFAOYSA-N 0 0 319.409 0.765 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC000153381359 415981415 /nfs/dbraw/zinc/98/14/15/415981415.db2.gz DWRWBFLLFHXZDB-VIFPVBQESA-N 0 0 321.381 0.676 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000153864416 415987745 /nfs/dbraw/zinc/98/77/45/415987745.db2.gz WFGUFIRKDSDOPG-CQSZACIVSA-N 0 0 307.394 0.961 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041432 415992830 /nfs/dbraw/zinc/99/28/30/415992830.db2.gz DZQFEPYQDGPPLF-CYBMUJFWSA-N 0 0 301.350 0.328 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2nc(C)no2)n1 ZINC000155369317 415996676 /nfs/dbraw/zinc/99/66/76/415996676.db2.gz OGXZATLAQLKDFQ-LBPRGKRZSA-N 0 0 305.338 0.791 10 0 DCAERN C[C@@H]1[C@@H](O)CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000296829061 415935045 /nfs/dbraw/zinc/93/50/45/415935045.db2.gz HNIZJWXAZUKJKW-KOLCDFICSA-N 0 0 307.375 0.830 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC000172435331 416044860 /nfs/dbraw/zinc/04/48/60/416044860.db2.gz QSWFHVOOQOKABY-CHWSQXEVSA-N 0 0 303.362 0.577 10 0 DCAERN COC[C@@H](C)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000357206591 416045011 /nfs/dbraw/zinc/04/50/11/416045011.db2.gz RRDALIHWAXZJIB-GFCCVEGCSA-N 0 0 308.382 0.752 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000357203845 416045362 /nfs/dbraw/zinc/04/53/62/416045362.db2.gz MOTPDOBSSNTLRJ-GFCCVEGCSA-N 0 0 321.377 0.994 10 0 DCAERN O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1ccnnc1 ZINC000357243283 416051039 /nfs/dbraw/zinc/05/10/39/416051039.db2.gz NHEITSJHCUTJMG-UHFFFAOYSA-N 0 0 321.358 0.173 10 0 DCAERN O=C(Cc1ccc(NC(=O)C2CC2)cc1)N1CCNC(=O)CC1 ZINC000173051121 416052175 /nfs/dbraw/zinc/05/21/75/416052175.db2.gz PSBPRVKYKIXKLV-UHFFFAOYSA-N 0 0 315.373 0.926 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@]3(CC=CCC3)C2)nn1 ZINC000173465747 416058834 /nfs/dbraw/zinc/05/88/34/416058834.db2.gz ZUENNAANUPCLSL-OAHLLOKOSA-N 0 0 303.366 0.726 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1CC(=O)NC1=O ZINC000345194334 416060082 /nfs/dbraw/zinc/06/00/82/416060082.db2.gz XUHCEMFHBJFRMA-UHFFFAOYSA-N 0 0 304.306 0.160 10 0 DCAERN CC1(CNC(=O)CN2CCN(c3ccccn3)CC2)COC1 ZINC000173560776 416062131 /nfs/dbraw/zinc/06/21/31/416062131.db2.gz FKIPSPBUPAARHM-UHFFFAOYSA-N 0 0 304.394 0.356 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCC(C)(C)O)C2=O)n(C)n1 ZINC000173569196 416062153 /nfs/dbraw/zinc/06/21/53/416062153.db2.gz FFJMWVVADNMLFN-NSHDSACASA-N 0 0 323.397 0.294 10 0 DCAERN COCCCNC(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173626800 416062790 /nfs/dbraw/zinc/06/27/90/416062790.db2.gz VXVIOLQZFXRRNB-RYUDHWBXSA-N 0 0 309.414 0.806 10 0 DCAERN Cc1csc(=O)n1CCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173667413 416062886 /nfs/dbraw/zinc/06/28/86/416062886.db2.gz QFSAKEDSUGTUJW-NSHDSACASA-N 0 0 309.395 0.718 10 0 DCAERN NS(=O)(=O)CCCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173712013 416063766 /nfs/dbraw/zinc/06/37/66/416063766.db2.gz MZDSYBUKUAYYOW-UHFFFAOYSA-N 0 0 314.411 0.985 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173795647 416066378 /nfs/dbraw/zinc/06/63/78/416066378.db2.gz SXAJDACKSJJPME-HNNXBMFYSA-N 0 0 321.425 0.767 10 0 DCAERN Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173965023 416069116 /nfs/dbraw/zinc/06/91/16/416069116.db2.gz ZBDKDRKBVVPNEJ-DGCLKSJQSA-N 0 0 308.382 0.490 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@@H]1COc2ccccc2C1 ZINC000174090510 416072752 /nfs/dbraw/zinc/07/27/52/416072752.db2.gz MCCYGNBWRXQTFX-LBPRGKRZSA-N 0 0 301.350 0.916 10 0 DCAERN CCOc1ccccc1CCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000174269585 416075856 /nfs/dbraw/zinc/07/58/56/416075856.db2.gz AOKUQPFAKOZHJF-GFCCVEGCSA-N 0 0 304.346 0.939 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000174338963 416076342 /nfs/dbraw/zinc/07/63/42/416076342.db2.gz SPWVFADONZCGOA-ZDUSSCGKSA-N 0 0 322.413 0.120 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@]2(C)CCCOC2)cn1C ZINC000357416719 416077313 /nfs/dbraw/zinc/07/73/13/416077313.db2.gz BLUALPLGKUGZEG-CYBMUJFWSA-N 0 0 315.395 0.232 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000174370750 416077862 /nfs/dbraw/zinc/07/78/62/416077862.db2.gz UOPYHCUJSVZMSI-BDAKNGLRSA-N 0 0 318.370 0.949 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000158988535 416005015 /nfs/dbraw/zinc/00/50/15/416005015.db2.gz YXEUDJLAPBUZQJ-GOEBONIOSA-N 0 0 320.414 0.858 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@H]1CCCN1c1nccs1 ZINC000159106222 416007755 /nfs/dbraw/zinc/00/77/55/416007755.db2.gz DTXWIXICTUAQTP-CHWSQXEVSA-N 0 0 321.450 0.228 10 0 DCAERN CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C)CC1 ZINC000337800423 416010910 /nfs/dbraw/zinc/01/09/10/416010910.db2.gz YQAOBOIOJDVUFJ-UHFFFAOYSA-N 0 0 300.366 0.469 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2 ZINC000161589322 416013611 /nfs/dbraw/zinc/01/36/11/416013611.db2.gz YQCRGMKAQQNOBE-QWRGUYRKSA-N 0 0 320.397 0.246 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCCN1CCOCC1 ZINC000170685618 416028871 /nfs/dbraw/zinc/02/88/71/416028871.db2.gz NOZOJHQNUFGDDA-KGLIPLIRSA-N 0 0 311.426 0.601 10 0 DCAERN CNC(=O)CNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000170675049 416029039 /nfs/dbraw/zinc/02/90/39/416029039.db2.gz WPNKDXSKQGCIAH-GFCCVEGCSA-N 0 0 320.393 0.567 10 0 DCAERN CN(CCNS(C)(=O)=O)c1ncc(Br)cn1 ZINC000301268404 416079186 /nfs/dbraw/zinc/07/91/86/416079186.db2.gz IWVKWIKCOFRAST-UHFFFAOYSA-N 0 0 309.189 0.225 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2COC[C@H](C1)O2 ZINC000338367061 416086950 /nfs/dbraw/zinc/08/69/50/416086950.db2.gz OKGMELSJLWUFFJ-BETUJISGSA-N 0 0 304.346 0.927 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175125333 416097548 /nfs/dbraw/zinc/09/75/48/416097548.db2.gz RAIQZXHCKLLNNT-STQMWFEESA-N 0 0 309.414 0.937 10 0 DCAERN CNS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000175205228 416098560 /nfs/dbraw/zinc/09/85/60/416098560.db2.gz RYCSFFAHWJYMTL-WCQYABFASA-N 0 0 312.391 0.524 10 0 DCAERN CNC(=O)c1cccnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000302862437 416100579 /nfs/dbraw/zinc/10/05/79/416100579.db2.gz RCOUEXJNYXYLQG-BETUJISGSA-N 0 0 306.410 0.987 10 0 DCAERN O=C(NC1COCCOC1)c1ccc(Br)cn1 ZINC000310571004 416105911 /nfs/dbraw/zinc/10/59/11/416105911.db2.gz NXRTYSQVCXHSQU-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCC[C@@](O)(CO)C2)c1 ZINC000313630909 416107110 /nfs/dbraw/zinc/10/71/10/416107110.db2.gz PQROKTLIEZSIKQ-INIZCTEOSA-N 0 0 306.362 0.647 10 0 DCAERN CCC1(NC(=O)CNS(=O)(=O)CCOC(C)C)CCC1 ZINC000175468585 416107429 /nfs/dbraw/zinc/10/74/29/416107429.db2.gz QPMZIYHKPSDGMI-UHFFFAOYSA-N 0 0 306.428 0.780 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)c2cnn(C)c2n1 ZINC000175478729 416107801 /nfs/dbraw/zinc/10/78/01/416107801.db2.gz NAWPYVWZQNVWHA-NSHDSACASA-N 0 0 303.366 0.337 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCF ZINC000175567456 416110373 /nfs/dbraw/zinc/11/03/73/416110373.db2.gz WBFRVUKJOJBCPD-ZDUSSCGKSA-N 0 0 316.398 0.965 10 0 DCAERN O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@](O)(CO)C1 ZINC000313798375 416110784 /nfs/dbraw/zinc/11/07/84/416110784.db2.gz LTSJSDUNSPXKNG-GFCCVEGCSA-N 0 0 323.773 0.987 10 0 DCAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@@H](C(N)=O)C3)nc21 ZINC000175960511 416117837 /nfs/dbraw/zinc/11/78/37/416117837.db2.gz NZMHIHHJAXNWGM-GFCCVEGCSA-N 0 0 316.361 0.517 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCCC(=O)NC(N)=O ZINC000176113507 416120715 /nfs/dbraw/zinc/12/07/15/416120715.db2.gz AUAFOCAFDCPZIZ-UHFFFAOYSA-N 0 0 323.397 0.400 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000176184416 416120888 /nfs/dbraw/zinc/12/08/88/416120888.db2.gz OYIFOXYCPITLDK-UHFFFAOYSA-N 0 0 307.325 0.150 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1O ZINC000328606237 416123046 /nfs/dbraw/zinc/12/30/46/416123046.db2.gz QUHAEIZQJZJCMJ-LXTVHRRPSA-N 0 0 318.373 0.378 10 0 DCAERN CCN1CCN(C(=O)Nc2ccon2)C[C@@H]1c1nccn1C ZINC000328624356 416123284 /nfs/dbraw/zinc/12/32/84/416123284.db2.gz JTVYXDHGYCNXEN-LLVKDONJSA-N 0 0 304.354 1.319 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)N[C@H]1CCCn2ncnc21 ZINC000176366743 416123799 /nfs/dbraw/zinc/12/37/99/416123799.db2.gz JGFOMJAKAUBZER-STQMWFEESA-N 0 0 323.397 0.998 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCCNC(=O)c2ccsc2)C1 ZINC000178128540 416157555 /nfs/dbraw/zinc/15/75/55/416157555.db2.gz WGLFMKQZIYOQHH-UHFFFAOYSA-N 0 0 323.418 0.853 10 0 DCAERN Cc1cc(NC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nn1C ZINC000328651885 416124491 /nfs/dbraw/zinc/12/44/91/416124491.db2.gz WDGJGAYCXGEZDM-CQSZACIVSA-N 0 0 321.425 1.303 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)nn1C ZINC000176491025 416127730 /nfs/dbraw/zinc/12/77/30/416127730.db2.gz OZSKSUXSEZYZQQ-MRXNPFEDSA-N 0 0 324.425 0.357 10 0 DCAERN COCCCN(CCOC)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176609625 416130288 /nfs/dbraw/zinc/13/02/88/416130288.db2.gz UQENHIJVHVNWOW-LBPRGKRZSA-N 0 0 311.386 0.808 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357802568 416134355 /nfs/dbraw/zinc/13/43/55/416134355.db2.gz XTCUTWASLRTVEU-TUAOUCFPSA-N 0 0 312.414 0.552 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)Cc1c(C)noc1C ZINC000176814514 416135460 /nfs/dbraw/zinc/13/54/60/416135460.db2.gz LJRCEECTPSJWQV-SECBINFHSA-N 0 0 317.411 0.620 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CCO1 ZINC000357819299 416137106 /nfs/dbraw/zinc/13/71/06/416137106.db2.gz WBQLDPHXCPQXJT-OSAQELSMSA-N 0 0 320.393 0.577 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ccc(C=O)[nH]3)C2)cn1 ZINC000177075458 416139037 /nfs/dbraw/zinc/13/90/37/416139037.db2.gz UDVMWUJOJKVVPU-NSHDSACASA-N 0 0 301.350 0.960 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Cn1nnnc1C(C)C ZINC000177168474 416141374 /nfs/dbraw/zinc/14/13/74/416141374.db2.gz MITZHUSMWZROOO-ZDUSSCGKSA-N 0 0 317.397 0.993 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3ncncc3Cl)CCO2)[nH]1 ZINC000177524358 416147684 /nfs/dbraw/zinc/14/76/84/416147684.db2.gz JEEYDPAJUBMDMB-SECBINFHSA-N 0 0 308.729 0.770 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070715 416147842 /nfs/dbraw/zinc/14/78/42/416147842.db2.gz YPNMNZGUCXHMGY-NWDGAFQWSA-N 0 0 322.413 0.970 10 0 DCAERN CCc1nc(C2(NS(=O)(=O)CCOC)CCCC2)no1 ZINC000177606828 416147957 /nfs/dbraw/zinc/14/79/57/416147957.db2.gz YAWFCPXLHOMJNT-UHFFFAOYSA-N 0 0 303.384 0.967 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCCC(C)(C)O)CC2)n1 ZINC000357901431 416150682 /nfs/dbraw/zinc/15/06/82/416150682.db2.gz DDBXMFULJDJLBY-UHFFFAOYSA-N 0 0 311.386 0.366 10 0 DCAERN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ncc(C)cn1 ZINC000358034026 416173171 /nfs/dbraw/zinc/17/31/71/416173171.db2.gz MMGUNXKGNUEVTK-ZDUSSCGKSA-N 0 0 321.425 0.767 10 0 DCAERN CN(CCC(=O)NCC(=O)c1ccccc1)Cc1nnnn1C ZINC000358027845 416173780 /nfs/dbraw/zinc/17/37/80/416173780.db2.gz CYJGMSRIOUVZAP-UHFFFAOYSA-N 0 0 316.365 0.031 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)c(F)c1 ZINC000178957406 416179553 /nfs/dbraw/zinc/17/95/53/416179553.db2.gz WVWVITHVVNZBOC-LLVKDONJSA-N 0 0 324.331 0.019 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000179168552 416183354 /nfs/dbraw/zinc/18/33/54/416183354.db2.gz QRXQRJOIAMMZGX-WCQYABFASA-N 0 0 306.366 0.695 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@@H](C)[C@@H](C)CO)CC2)n1 ZINC000179430913 416186757 /nfs/dbraw/zinc/18/67/57/416186757.db2.gz WBMCGLWFZKKREM-RYUDHWBXSA-N 0 0 322.409 0.835 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000179563156 416190304 /nfs/dbraw/zinc/19/03/04/416190304.db2.gz GTIQKVRNEVGPMB-UWVGGRQHSA-N 0 0 304.412 0.360 10 0 DCAERN COc1cccc(CS(=O)(=O)NCC(=O)NCC2CC2)c1 ZINC000179908272 416194311 /nfs/dbraw/zinc/19/43/11/416194311.db2.gz DEFWTAUIXINDFX-UHFFFAOYSA-N 0 0 312.391 0.641 10 0 DCAERN Cc1cccnc1CNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000358128367 416197878 /nfs/dbraw/zinc/19/78/78/416197878.db2.gz JZABCDWXFMGLKK-GFCCVEGCSA-N 0 0 323.418 0.333 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H]([C@H](C)O)C2)cc1 ZINC000181043223 416202550 /nfs/dbraw/zinc/20/25/50/416202550.db2.gz UKIWNPSQZFURPV-WCQYABFASA-N 0 0 306.362 0.654 10 0 DCAERN Cn1c(CSCc2nc(N)nc(N)n2)nnc1C1CCC1 ZINC000181471995 416208564 /nfs/dbraw/zinc/20/85/64/416208564.db2.gz KAXYRFBKQMAPTF-UHFFFAOYSA-N 0 0 306.399 0.865 10 0 DCAERN CCN(C(=O)NCCc1cn[nH]c1)[C@H](C)CS(C)(=O)=O ZINC000358195326 416209016 /nfs/dbraw/zinc/20/90/16/416209016.db2.gz LOULOEBBXUXLHT-SNVBAGLBSA-N 0 0 302.400 0.417 10 0 DCAERN O=C(CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)NCC(F)(F)F ZINC000182134293 416213080 /nfs/dbraw/zinc/21/30/80/416213080.db2.gz SRVULDNZBMTIAH-MFKMUULPSA-N 0 0 316.279 0.830 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000182013918 416214462 /nfs/dbraw/zinc/21/44/62/416214462.db2.gz FFOJXQJCRSOYHZ-DOMZBBRYSA-N 0 0 323.441 0.747 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000341619052 416216178 /nfs/dbraw/zinc/21/61/78/416216178.db2.gz GRCOPVIDOHAJIF-MNOVXSKESA-N 0 0 306.384 0.027 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)N(C)C1 ZINC000330581970 416216801 /nfs/dbraw/zinc/21/68/01/416216801.db2.gz QWXUHBURPRWGNC-IUCAKERBSA-N 0 0 306.288 1.103 10 0 DCAERN C[C@H](NC(=O)NCc1cccnc1-n1cccn1)c1nc[nH]n1 ZINC000182322829 416219473 /nfs/dbraw/zinc/21/94/73/416219473.db2.gz RVFNAORLXGLJOZ-JTQLQIEISA-N 0 0 312.337 0.946 10 0 DCAERN O=C(CSCC(=O)N1CCCCC1)NC[C@@H](CO)C1CC1 ZINC000358333060 416223356 /nfs/dbraw/zinc/22/33/56/416223356.db2.gz FNUGGQRZGBJTCZ-ZDUSSCGKSA-N 0 0 314.451 0.867 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)NC[C@H](CO)C1CC1 ZINC000358327095 416223434 /nfs/dbraw/zinc/22/34/34/416223434.db2.gz WTLCEPBRQNMUIJ-PSASIEDQSA-N 0 0 311.411 0.623 10 0 DCAERN CS(=O)(=O)c1ccccc1CC(=O)NC[C@H](CO)C1CC1 ZINC000358326466 416223831 /nfs/dbraw/zinc/22/38/31/416223831.db2.gz WEZZIPSFXDMRMD-CYBMUJFWSA-N 0 0 311.403 0.767 10 0 DCAERN O=C(Cn1cc(Br)cn1)NC[C@@H](CO)C1CC1 ZINC000358337128 416224476 /nfs/dbraw/zinc/22/44/76/416224476.db2.gz LPYADRSXQGUSNC-VIFPVBQESA-N 0 0 302.172 0.780 10 0 DCAERN CC[C@H](NC(=O)N1CCO[C@H](C(=O)NC)C1)c1nccs1 ZINC000182676291 416227554 /nfs/dbraw/zinc/22/75/54/416227554.db2.gz VNILVPKDWRBKJA-UWVGGRQHSA-N 0 0 312.395 0.751 10 0 DCAERN Cc1nnc([C@@H]2CN(Cc3ncnn3CC(C)C)CCO2)[nH]1 ZINC000182814239 416231877 /nfs/dbraw/zinc/23/18/77/416231877.db2.gz CNUWPKBFOXYHNQ-LBPRGKRZSA-N 0 0 305.386 0.934 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000182839347 416232595 /nfs/dbraw/zinc/23/25/95/416232595.db2.gz RGLCZFPIBTZNTH-HNNXBMFYSA-N 0 0 304.350 0.989 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCC[C@H](Cn2cncn2)C1 ZINC000178228358 416158811 /nfs/dbraw/zinc/15/88/11/416158811.db2.gz OHCJWFOHIYVZOZ-ZDUSSCGKSA-N 0 0 300.428 0.813 10 0 DCAERN Cc1noc([C@@H]2C[C@@H](O)CN2CCC(=O)NC2CCCC2)n1 ZINC000357967877 416162175 /nfs/dbraw/zinc/16/21/75/416162175.db2.gz ZEUGIAZUVPWBGE-OLZOCXBDSA-N 0 0 308.382 0.935 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)NC[C@H](CO)C1CC1 ZINC000358483611 416242981 /nfs/dbraw/zinc/24/29/81/416242981.db2.gz XDUUBUHEFXAOQG-KGLIPLIRSA-N 0 0 300.399 0.890 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000183678698 416249157 /nfs/dbraw/zinc/24/91/57/416249157.db2.gz OSKYUELGUQCFAX-LLVKDONJSA-N 0 0 302.334 0.994 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1F)NC[C@@H](CO)C1CC1 ZINC000358534430 416252342 /nfs/dbraw/zinc/25/23/42/416252342.db2.gz MXOSEZPTYMJMPA-LBPRGKRZSA-N 0 0 323.368 0.873 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)ncn1 ZINC000190270250 416278192 /nfs/dbraw/zinc/27/81/92/416278192.db2.gz ZROMJPNZZPUOIP-QWHCGFSZSA-N 0 0 320.393 0.949 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@]1(O)CCSC1 ZINC000331098361 416263552 /nfs/dbraw/zinc/26/35/52/416263552.db2.gz NGPGQCKAKPZXLH-FOGDFJRCSA-N 0 0 323.436 0.116 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc(CC(=O)OC)c1 ZINC000188905028 416264823 /nfs/dbraw/zinc/26/48/23/416264823.db2.gz HZQVAYQTQIFEOJ-CYBMUJFWSA-N 0 0 304.346 0.753 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N(C)Cc2cnccc2C)CC1 ZINC000331102687 416265188 /nfs/dbraw/zinc/26/51/88/416265188.db2.gz CXZPUDKLQNYMHW-CQSZACIVSA-N 0 0 318.421 0.901 10 0 DCAERN COCCOC[C@H](C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000358727278 416273756 /nfs/dbraw/zinc/27/37/56/416273756.db2.gz VFRNUCLPLDUXEQ-NSHDSACASA-N 0 0 311.382 0.989 10 0 DCAERN COCCC1(C)CN(C(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000358725541 416274034 /nfs/dbraw/zinc/27/40/34/416274034.db2.gz STQSGQJCLZFRJU-UHFFFAOYSA-N 0 0 311.382 0.594 10 0 DCAERN CCC(CC)[C@H](C(=O)Nc1nc(OC)n[nH]1)N1CCOCC1 ZINC000183002803 416235550 /nfs/dbraw/zinc/23/55/50/416235550.db2.gz JWKRUVSOUJDFRR-LLVKDONJSA-N 0 0 311.386 0.889 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)CC2 ZINC000183118763 416236384 /nfs/dbraw/zinc/23/63/84/416236384.db2.gz ZHINYSCGFZOBOZ-OLZOCXBDSA-N 0 0 321.425 0.822 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1=O ZINC000192103265 416300070 /nfs/dbraw/zinc/30/00/70/416300070.db2.gz BYAFKPPFMARSAN-SNVBAGLBSA-N 0 0 319.365 0.441 10 0 DCAERN COCCOCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192221028 416301496 /nfs/dbraw/zinc/30/14/96/416301496.db2.gz XVUDXLLPDJOXFX-CQSZACIVSA-N 0 0 324.352 0.706 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000192276996 416303677 /nfs/dbraw/zinc/30/36/77/416303677.db2.gz FWYLQTQMBSCWRS-SFYZADRCSA-N 0 0 323.358 0.776 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@H]21 ZINC000352198648 416304178 /nfs/dbraw/zinc/30/41/78/416304178.db2.gz YFCSGMKBLQGZOP-HUUCEWRRSA-N 0 0 313.361 0.422 10 0 DCAERN CC[C@H](O)CCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000359064983 416304527 /nfs/dbraw/zinc/30/45/27/416304527.db2.gz GQPNEDRBYHKOTF-QWHCGFSZSA-N 0 0 313.398 0.227 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cncc(F)c1 ZINC000359069435 416305714 /nfs/dbraw/zinc/30/57/14/416305714.db2.gz WXLRJVRCIABRFW-KWQFWETISA-N 0 0 301.343 0.768 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)NCC[C@@H](C)O)ccc21 ZINC000359177564 416310550 /nfs/dbraw/zinc/31/05/50/416310550.db2.gz VGMSXJUPYYAXCC-SNVBAGLBSA-N 0 0 319.361 0.421 10 0 DCAERN CCCNc1nnc(S(=O)(=O)Cc2ccnc(C)n2)s1 ZINC000359192605 416310612 /nfs/dbraw/zinc/31/06/12/416310612.db2.gz PWEPRJFQDZOPNJ-UHFFFAOYSA-N 0 0 313.408 1.432 10 0 DCAERN CC[C@@H]1COCCN1C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359244751 416316153 /nfs/dbraw/zinc/31/61/53/416316153.db2.gz RMYNJEABFYYRJW-CYBMUJFWSA-N 0 0 321.377 0.386 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC1(CO)CCOCC1 ZINC000331190585 416282040 /nfs/dbraw/zinc/28/20/40/416282040.db2.gz PMDBSUAQVMVMQC-UHFFFAOYSA-N 0 0 323.802 0.141 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cnn(C)c2)C1 ZINC000191983579 416293796 /nfs/dbraw/zinc/29/37/96/416293796.db2.gz XFTCBWOXXQKQJO-ZDUSSCGKSA-N 0 0 310.398 0.272 10 0 DCAERN Cn1nc(Br)cc1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000192131386 416299374 /nfs/dbraw/zinc/29/93/74/416299374.db2.gz PIVCGBUTWWJTTL-SSDOTTSWSA-N 0 0 315.171 0.533 10 0 DCAERN C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCN1CCO ZINC000249596454 416334433 /nfs/dbraw/zinc/33/44/33/416334433.db2.gz WZBKISOIJXCZFM-ZBFHGGJFSA-N 0 0 303.406 0.790 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCn2cccc2)c1 ZINC000359426322 416344849 /nfs/dbraw/zinc/34/48/49/416344849.db2.gz FCHIBTNZSZIPHL-UHFFFAOYSA-N 0 0 307.375 0.826 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C[C@H]1O ZINC000359431107 416345478 /nfs/dbraw/zinc/34/54/78/416345478.db2.gz WRDGOBLFUOFQFM-ZWNOBZJWSA-N 0 0 304.346 0.789 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000359480356 416347524 /nfs/dbraw/zinc/34/75/24/416347524.db2.gz JZUAWGWMSBTLIG-WCBMZHEXSA-N 0 0 307.354 0.710 10 0 DCAERN CC(C)c1nnc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C ZINC000195021422 416325142 /nfs/dbraw/zinc/32/51/42/416325142.db2.gz OZWBXLAVYPEKLX-ZDUSSCGKSA-N 0 0 321.425 0.762 10 0 DCAERN COC(=O)CNC(=O)c1ccc(NCc2cncnc2)cc1 ZINC000195071554 416325206 /nfs/dbraw/zinc/32/52/06/416325206.db2.gz JNDROKSKFYEBDO-UHFFFAOYSA-N 0 0 300.318 0.992 10 0 DCAERN CCCCOC[C@@H](O)CN1CCN(Cc2noc(C)n2)CC1 ZINC000195188335 416325411 /nfs/dbraw/zinc/32/54/11/416325411.db2.gz MZSDNJZUFJSMHA-AWEZNQCLSA-N 0 0 312.414 0.673 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000195200978 416325575 /nfs/dbraw/zinc/32/55/75/416325575.db2.gz YEEGJIOFUQLSDH-GHMZBOCLSA-N 0 0 312.391 0.725 10 0 DCAERN C[C@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000195166607 416325598 /nfs/dbraw/zinc/32/55/98/416325598.db2.gz RQPNIOXAWKBYJU-GXFFZTMASA-N 0 0 312.391 0.772 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCC([C@@H](C)O)CC2)cn1 ZINC000195284922 416325924 /nfs/dbraw/zinc/32/59/24/416325924.db2.gz ASROMHWTCZLFRM-SNVBAGLBSA-N 0 0 300.380 0.872 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000195489211 416326600 /nfs/dbraw/zinc/32/66/00/416326600.db2.gz XADZVVACAJPSHO-TVQRCGJNSA-N 0 0 314.345 0.747 10 0 DCAERN CC(C)[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245711292 416331389 /nfs/dbraw/zinc/33/13/89/416331389.db2.gz CJOVQAXKWDUSBI-GOEBONIOSA-N 0 0 319.405 0.686 10 0 DCAERN CC[C@@H]1CN(CCCS(=O)(=O)C(C)C)CCN1C[C@H](C)O ZINC000246651028 416332059 /nfs/dbraw/zinc/33/20/59/416332059.db2.gz PIJMZGYHQGZNIC-LSDHHAIUSA-N 0 0 320.499 0.977 10 0 DCAERN C[C@H](C(=O)NC[C@@H](CO)C1CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000359819830 416360624 /nfs/dbraw/zinc/36/06/24/416360624.db2.gz IYMYNIBCEFEKGL-CABNGKKXSA-N 0 0 322.405 0.685 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359825173 416360733 /nfs/dbraw/zinc/36/07/33/416360733.db2.gz VDTRZDXYXKPDCK-ZDUSSCGKSA-N 0 0 312.391 0.223 10 0 DCAERN O=C(CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)N1CCCC1 ZINC000360851244 416414665 /nfs/dbraw/zinc/41/46/65/416414665.db2.gz DYGIFIBGLRTCEE-GFCCVEGCSA-N 0 0 323.315 0.708 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)C1 ZINC000360895319 416415457 /nfs/dbraw/zinc/41/54/57/416415457.db2.gz IGMDBBGRNZNYNG-CQSZACIVSA-N 0 0 315.373 0.730 10 0 DCAERN C[C@H]1C[C@@H](CCNC(=O)C(=O)N(C)Cc2cnccn2)CCO1 ZINC000360912722 416416391 /nfs/dbraw/zinc/41/63/91/416416391.db2.gz DCGOMHIPCUGONE-STQMWFEESA-N 0 0 320.393 0.756 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000360188921 416378291 /nfs/dbraw/zinc/37/82/91/416378291.db2.gz IWWJSJCURGFRLT-CYZMBNFOSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1nc(N[C@H](C)C(=O)OC(C)(C)C)sc1S(N)(=O)=O ZINC000418911875 416394163 /nfs/dbraw/zinc/39/41/63/416394163.db2.gz CDSCXVDFAIOTDX-ZCFIWIBFSA-N 0 0 321.424 1.241 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000360524158 416394550 /nfs/dbraw/zinc/39/45/50/416394550.db2.gz FXGIXVRFWVYNBT-JTQLQIEISA-N 0 0 308.386 1.152 10 0 DCAERN COCCn1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)c(C)n1 ZINC000360532161 416394705 /nfs/dbraw/zinc/39/47/05/416394705.db2.gz ILHVAFIPZSFDQT-NSHDSACASA-N 0 0 308.382 0.531 10 0 DCAERN CCN1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1=O ZINC000360699759 416405035 /nfs/dbraw/zinc/40/50/35/416405035.db2.gz JEQJERRHUCLTML-UHFFFAOYSA-N 0 0 301.350 0.937 10 0 DCAERN CSCC[C@H](NC(=O)COc1cnn(C)c1)C(=O)N(C)C ZINC000360798541 416410719 /nfs/dbraw/zinc/41/07/19/416410719.db2.gz QLMMAQXTPGORMS-NSHDSACASA-N 0 0 314.411 0.125 10 0 DCAERN CCc1ccccc1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458441835 416467018 /nfs/dbraw/zinc/46/70/18/416467018.db2.gz HYOZOEFIPJHZGO-AWEZNQCLSA-N 0 0 303.366 0.701 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@H](O)COC1CCOCC1 ZINC000533059159 416469560 /nfs/dbraw/zinc/46/95/60/416469560.db2.gz SYLLMXDPXFJJJZ-ZFWWWQNUSA-N 0 0 315.410 0.959 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CC1=O ZINC000583621041 416480389 /nfs/dbraw/zinc/48/03/89/416480389.db2.gz OWRVDDFLDDSDCE-VXGBXAGGSA-N 0 0 305.382 0.093 10 0 DCAERN CC(=O)NCCNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434658113 416488278 /nfs/dbraw/zinc/48/82/78/416488278.db2.gz ZZOUHHPQEYOMTO-QMMMGPOBSA-N 0 0 324.406 0.459 10 0 DCAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361120738 416422419 /nfs/dbraw/zinc/42/24/19/416422419.db2.gz SIJQCIWYVLDTOC-KBPBESRZSA-N 0 0 314.426 0.927 10 0 DCAERN CC(C)(CNC(=O)C(=O)Nc1cccc2c1OCCC2)C(N)=O ZINC000361330357 416429496 /nfs/dbraw/zinc/42/94/96/416429496.db2.gz FTQGPFHGBQYXFZ-UHFFFAOYSA-N 0 0 319.361 0.578 10 0 DCAERN C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000361503422 416441652 /nfs/dbraw/zinc/44/16/52/416441652.db2.gz MWRWBUMCVMOQHN-GRYCIOLGSA-N 0 0 323.393 0.875 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccn(C)n2)c1 ZINC000458310794 416450747 /nfs/dbraw/zinc/45/07/47/416450747.db2.gz XNCLZBVRGBWWRV-JTQLQIEISA-N 0 0 322.390 0.819 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000532705685 416451729 /nfs/dbraw/zinc/45/17/29/416451729.db2.gz IVJFYVKANLBKAD-ZNMIVQPWSA-N 0 0 315.410 0.959 10 0 DCAERN CC(C)Oc1ncccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459367901 416537454 /nfs/dbraw/zinc/53/74/54/416537454.db2.gz VRCZKZOBOHHOPP-LLVKDONJSA-N 0 0 320.353 0.643 10 0 DCAERN NS(=O)(=O)CCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361987821 416540827 /nfs/dbraw/zinc/54/08/27/416540827.db2.gz UMLPOEFQTZZRSE-CQSZACIVSA-N 0 0 314.407 0.445 10 0 DCAERN O=C(NCc1cc[nH]n1)N1CCN(c2ccc(F)cn2)CC1 ZINC000537026841 416553263 /nfs/dbraw/zinc/55/32/63/416553263.db2.gz WIMIHJGLHRPIKC-UHFFFAOYSA-N 0 0 304.329 0.976 10 0 DCAERN CC(C)OC(=O)CCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000436405430 416556458 /nfs/dbraw/zinc/55/64/58/416556458.db2.gz BCIYFYWACZALSA-OAHLLOKOSA-N 0 0 310.350 0.057 10 0 DCAERN CO[C@@](C)(CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C1CC1 ZINC000361821486 416502362 /nfs/dbraw/zinc/50/23/62/416502362.db2.gz RQZLZZZRJMIMOX-HNNXBMFYSA-N 0 0 323.397 0.903 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cn1 ZINC000361852921 416510860 /nfs/dbraw/zinc/51/08/60/416510860.db2.gz ZMRTXKHKJNHBQU-BDAKNGLRSA-N 0 0 307.354 0.309 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000534963502 416511473 /nfs/dbraw/zinc/51/14/73/416511473.db2.gz CVQKZFCMDOHHRF-GFCCVEGCSA-N 0 0 319.365 0.711 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000435208058 416512988 /nfs/dbraw/zinc/51/29/88/416512988.db2.gz PJBATVXLKTWEPL-IJLUTSLNSA-N 0 0 305.444 0.569 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000535023070 416513965 /nfs/dbraw/zinc/51/39/65/416513965.db2.gz LDPOOQJWTHBGGU-HUUCEWRRSA-N 0 0 321.425 0.863 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCSC[C@@H]2CCO)CC1=O ZINC000459018565 416518305 /nfs/dbraw/zinc/51/83/05/416518305.db2.gz HORIWCMBUCRTRY-MNOVXSKESA-N 0 0 301.412 0.117 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)CC2)[nH]1 ZINC000439260021 416610780 /nfs/dbraw/zinc/61/07/80/416610780.db2.gz OIVZKCNJTBGBCI-CHWSQXEVSA-N 0 0 307.398 0.308 10 0 DCAERN O=C1NC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]12 ZINC000538712057 416573869 /nfs/dbraw/zinc/57/38/69/416573869.db2.gz HLMVINWOAHCPTH-LLVKDONJSA-N 0 0 303.318 0.194 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)c2cccc3ncnn32)n1 ZINC000547649001 416679021 /nfs/dbraw/zinc/67/90/21/416679021.db2.gz NOXZGWBTWBPRPW-JTQLQIEISA-N 0 0 300.322 1.386 10 0 DCAERN CS(=O)(=O)N1CCCc2cc(C(=O)NC3(CO)CC3)ccc21 ZINC000514839299 416679093 /nfs/dbraw/zinc/67/90/93/416679093.db2.gz SODRUAHBODGEIK-UHFFFAOYSA-N 0 0 324.402 0.654 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@H](C(N)=O)c2ccccc2)n1 ZINC000547761947 416681192 /nfs/dbraw/zinc/68/11/92/416681192.db2.gz KXNOIOFKXYMKGR-NSHDSACASA-N 0 0 316.365 1.381 10 0 DCAERN Cc1cc(C[C@@H](C)N2C(=O)N[C@H](C3CCOCC3)C2=O)[nH]n1 ZINC000514905716 416681430 /nfs/dbraw/zinc/68/14/30/416681430.db2.gz MIOGSXIJXVZZSA-ZWNOBZJWSA-N 0 0 306.366 0.996 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H]1C ZINC000440378899 416631785 /nfs/dbraw/zinc/63/17/85/416631785.db2.gz HBDJWMHWNZNABY-VHSXEESVSA-N 0 0 309.370 0.607 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCOC[C@@H]2c2cccn2C)n1 ZINC000366801168 416636398 /nfs/dbraw/zinc/63/63/98/416636398.db2.gz NNEQPTMBURGLOS-CQSZACIVSA-N 0 0 315.377 1.379 10 0 DCAERN COc1cccc(CCNC(=O)NCCN2CCOCC2)n1 ZINC000440509368 416638163 /nfs/dbraw/zinc/63/81/63/416638163.db2.gz GAMYMDJCKWOVPJ-UHFFFAOYSA-N 0 0 308.382 0.264 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)cn1 ZINC000440676408 416643417 /nfs/dbraw/zinc/64/34/17/416643417.db2.gz CBEPFENRDCSLAF-LLVKDONJSA-N 0 0 324.406 0.022 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@](C)(O)C2CC2)[C@H]1c1cccnc1 ZINC000608472291 416650329 /nfs/dbraw/zinc/65/03/29/416650329.db2.gz 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/nfs/dbraw/zinc/74/90/71/416749071.db2.gz FUBVDSQIRBPEIQ-BNOWGMLFSA-N 0 0 318.377 0.832 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442056739 416685327 /nfs/dbraw/zinc/68/53/27/416685327.db2.gz LHRPBHFKWQIZRJ-NSHDSACASA-N 0 0 309.391 0.655 10 0 DCAERN Cc1noc(C)c1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442107745 416686259 /nfs/dbraw/zinc/68/62/59/416686259.db2.gz JCKMPSQNVGLLAT-JTQLQIEISA-N 0 0 313.379 0.556 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccn(CC(F)(F)F)n2)cn1 ZINC000548828968 416692449 /nfs/dbraw/zinc/69/24/49/416692449.db2.gz VBKWAJYBGFCBOM-UHFFFAOYSA-N 0 0 303.244 1.196 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccnn2CC(C)C)no1 ZINC000442420399 416694572 /nfs/dbraw/zinc/69/45/72/416694572.db2.gz BFVRGZPZTUYCIW-UHFFFAOYSA-N 0 0 320.353 0.828 10 0 DCAERN COC(=O)c1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)cn1C ZINC000368809194 416695609 /nfs/dbraw/zinc/69/56/09/416695609.db2.gz HGCFGVIQXTXSIZ-LBPRGKRZSA-N 0 0 322.365 0.360 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCCCc1nnc2ccccn21 ZINC000443016087 416725463 /nfs/dbraw/zinc/72/54/63/416725463.db2.gz VFSPYQIWWAMGOC-LLVKDONJSA-N 0 0 312.395 0.616 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2cnc(C3CC3)nc2N)C1 ZINC000614930486 416725816 /nfs/dbraw/zinc/72/58/16/416725816.db2.gz PYMCBENSBPTUFB-JTQLQIEISA-N 0 0 303.366 0.534 10 0 DCAERN COCCn1cc2c(n1)[C@H](NC(=O)N(C)CCCO)CCC2 ZINC000369122104 416726374 /nfs/dbraw/zinc/72/63/74/416726374.db2.gz NFQNBRUEYLEWIH-CYBMUJFWSA-N 0 0 310.398 0.931 10 0 DCAERN C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557384370 416732709 /nfs/dbraw/zinc/73/27/09/416732709.db2.gz IZALRULIHYJVHW-NEPJUHHUSA-N 0 0 316.361 0.892 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@@H](C)S1(=O)=O ZINC000558031592 416757332 /nfs/dbraw/zinc/75/73/32/416757332.db2.gz PMAIBRWFURZJNL-GHMZBOCLSA-N 0 0 322.390 0.767 10 0 DCAERN COCCOc1ccc(CNC(=O)C(=O)N(C)CC2CC2)cn1 ZINC000559817288 416823721 /nfs/dbraw/zinc/82/37/21/416823721.db2.gz DONNWTMYHWCMBJ-UHFFFAOYSA-N 0 0 321.377 0.591 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@H](CO)c1ccccc1 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/nfs/dbraw/zinc/93/37/02/416933702.db2.gz XHFGSUACCPKTOU-STQMWFEESA-N 0 0 310.394 0.293 10 0 DCAERN C[C@@H](NC(=O)COc1cnn(C)c1)c1nnc2ccccn21 ZINC000520235380 416950606 /nfs/dbraw/zinc/95/06/06/416950606.db2.gz ZGVDJXSPWOKWKK-SNVBAGLBSA-N 0 0 300.322 0.719 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2ncccc21 ZINC000447127498 416965551 /nfs/dbraw/zinc/96/55/51/416965551.db2.gz DJBBBVXQKMANDH-ZJUUUORDSA-N 0 0 317.349 0.893 10 0 DCAERN COC[C@@H]1NC(=O)N([C@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000521747265 417025341 /nfs/dbraw/zinc/02/53/41/417025341.db2.gz RWXWKICEIXLFBD-RYUDHWBXSA-N 0 0 303.318 0.359 10 0 DCAERN O=S1(=O)C[C@@H](Nc2nccn3cnnc23)c2ccccc21 ZINC000376304510 417027991 /nfs/dbraw/zinc/02/79/91/417027991.db2.gz FQNIFKVUEWPRJW-SNVBAGLBSA-N 0 0 301.331 1.065 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000447224518 416972135 /nfs/dbraw/zinc/97/21/35/416972135.db2.gz XLRQEHJUZSFVFO-GFCCVEGCSA-N 0 0 323.418 0.963 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(CCO)C[C@@H]2C)cc1O ZINC000616154893 416975859 /nfs/dbraw/zinc/97/58/59/416975859.db2.gz HTYCGQZGWPRLEC-NSHDSACASA-N 0 0 306.362 0.733 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(CCO)C[C@H]2C)cc1O ZINC000616154892 416978013 /nfs/dbraw/zinc/97/80/13/416978013.db2.gz HTYCGQZGWPRLEC-LLVKDONJSA-N 0 0 306.362 0.733 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCc2nnc3ccccn32)c(C)n1 ZINC000447253899 416979497 /nfs/dbraw/zinc/97/94/97/416979497.db2.gz CROFELOSNSCKRF-UHFFFAOYSA-N 0 0 324.344 0.996 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000375220159 416997953 /nfs/dbraw/zinc/99/79/53/416997953.db2.gz IWNLDVJYMJOMFZ-OLZOCXBDSA-N 0 0 303.428 0.122 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccnc(C)c1 ZINC000447569573 417008990 /nfs/dbraw/zinc/00/89/90/417008990.db2.gz CJRQSMYQNGVTGH-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000375783868 417010629 /nfs/dbraw/zinc/01/06/29/417010629.db2.gz FXHADZRAVMRZNO-STQMWFEESA-N 0 0 321.381 0.414 10 0 DCAERN CC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000616583296 417080189 /nfs/dbraw/zinc/08/01/89/417080189.db2.gz PHWOTSJWWWEKMS-HHHUOAJASA-N 0 0 302.323 0.946 10 0 DCAERN Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)[nH]n1 ZINC000616602545 417082565 /nfs/dbraw/zinc/08/25/65/417082565.db2.gz LFVBOMJXNGPAHH-LBPRGKRZSA-N 0 0 307.379 0.327 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1c[nH]nc1N ZINC000616640446 417086328 /nfs/dbraw/zinc/08/63/28/417086328.db2.gz ZDMQNHXCPOIOLA-LLVKDONJSA-N 0 0 311.386 0.890 10 0 DCAERN Nc1cc([C@H]2COCCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616641454 417086501 /nfs/dbraw/zinc/08/65/01/417086501.db2.gz JEUBJGCTMTZDAW-GFCCVEGCSA-N 0 0 308.363 0.754 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616651781 417086722 /nfs/dbraw/zinc/08/67/22/417086722.db2.gz RTOXPAAPAPMZRM-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2occc2Br)C1 ZINC000431398811 417120399 /nfs/dbraw/zinc/12/03/99/417120399.db2.gz GOPZWBOIPQMQQH-JTQLQIEISA-N 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IOONGYKZMWJWSN-CHWSQXEVSA-N 0 0 307.460 0.206 10 0 DCAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)[C@H](C)[C@@H](C)O1 ZINC000408443689 417160881 /nfs/dbraw/zinc/16/08/81/417160881.db2.gz OQBGQKRBKSMDKB-IWSPIJDZSA-N 0 0 307.354 0.375 10 0 DCAERN COC(=O)C1(NS(=O)(=O)[C@H]2CCO[C@H](C)C2)CCCC1 ZINC000408193611 417147509 /nfs/dbraw/zinc/14/75/09/417147509.db2.gz SYYLLQXLPKXNAT-MNOVXSKESA-N 0 0 305.396 0.959 10 0 DCAERN CNC(=O)CN(C)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000408335224 417156949 /nfs/dbraw/zinc/15/69/49/417156949.db2.gz GLFJUVBXUIBJDI-UHFFFAOYSA-N 0 0 317.455 0.955 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)[C@H](C)C1 ZINC000408397617 417159354 /nfs/dbraw/zinc/15/93/54/417159354.db2.gz YXCLKVLHZKBHED-BDAKNGLRSA-N 0 0 304.334 0.265 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CO)s1 ZINC000632576866 417172819 /nfs/dbraw/zinc/17/28/19/417172819.db2.gz BYFYYJXWOADOIV-JTQLQIEISA-N 0 0 304.437 0.608 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)c(C)s1 ZINC000632577015 417173948 /nfs/dbraw/zinc/17/39/48/417173948.db2.gz IRQXIARPWUTPJT-LLVKDONJSA-N 0 0 304.437 0.662 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)CCCC(=O)C3CC3)CC2)[nH]1 ZINC000449884371 417183700 /nfs/dbraw/zinc/18/37/00/417183700.db2.gz PBVZSMDFINIYOF-UHFFFAOYSA-N 0 0 319.409 0.907 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC000620724368 417270378 /nfs/dbraw/zinc/27/03/78/417270378.db2.gz LABGBGOTRBDUEE-CQSZACIVSA-N 0 0 314.393 0.351 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000632843880 417280679 /nfs/dbraw/zinc/28/06/79/417280679.db2.gz YUIDBXYFYXEGRQ-MNOVXSKESA-N 0 0 308.338 0.492 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CC12COC2 ZINC000451125876 417301437 /nfs/dbraw/zinc/30/14/37/417301437.db2.gz ORDPJFVFXHAXTJ-KGLIPLIRSA-N 0 0 324.421 0.756 10 0 DCAERN CCOC(=O)[C@H]1CN([C@H](C)C(=O)NCC(C)C)CC12COC2 ZINC000451144075 417304874 /nfs/dbraw/zinc/30/48/74/417304874.db2.gz XOUQYUBWNOXOCC-CHWSQXEVSA-N 0 0 312.410 0.659 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000570251017 417330975 /nfs/dbraw/zinc/33/09/75/417330975.db2.gz HYJDJLXOMPKUQG-HUUCEWRRSA-N 0 0 318.373 0.832 10 0 DCAERN CC[C@@](C)(CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)OC ZINC000451803979 417401607 /nfs/dbraw/zinc/40/16/07/417401607.db2.gz SUJFKXMKXXYROH-ZDUSSCGKSA-N 0 0 317.411 0.478 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000633363603 417415035 /nfs/dbraw/zinc/41/50/35/417415035.db2.gz JHSYIAACUQYFMW-STQMWFEESA-N 0 0 310.398 0.260 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 ZINC000633362772 417415955 /nfs/dbraw/zinc/41/59/55/417415955.db2.gz SJZFZFGAGAHMTN-HBNTYKKESA-N 0 0 323.315 0.419 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CC(=O)NCC1CC1 ZINC000451672258 417380501 /nfs/dbraw/zinc/38/05/01/417380501.db2.gz OMLQQLWQZSCRCP-UHFFFAOYSA-N 0 0 317.389 0.830 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cccc(CO)c2)CC12COC2 ZINC000452610377 417492447 /nfs/dbraw/zinc/49/24/47/417492447.db2.gz FCURNPNBBRCOBU-AWEZNQCLSA-N 0 0 319.357 0.831 10 0 DCAERN c1coc(CN(CCN2CCOCC2)C[C@@H]2COCCO2)c1 ZINC000452048742 417434850 /nfs/dbraw/zinc/43/48/50/417434850.db2.gz NUIYPHIHMNAVGN-MRXNPFEDSA-N 0 0 310.394 0.829 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(OC)cn2)CC12COC2 ZINC000452220423 417459358 /nfs/dbraw/zinc/45/93/58/417459358.db2.gz KJVMLZSQVCTGNC-GFCCVEGCSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CC12COC2 ZINC000452228359 417459893 /nfs/dbraw/zinc/45/98/93/417459893.db2.gz NKGFNCUUAMGFOU-OLZOCXBDSA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)CC12COC2 ZINC000452232447 417460206 /nfs/dbraw/zinc/46/02/06/417460206.db2.gz WNVGTKBKPCCJPJ-NEPJUHHUSA-N 0 0 307.350 0.482 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)CC12COC2 ZINC000452253131 417462030 /nfs/dbraw/zinc/46/20/30/417462030.db2.gz DRWWIRQAWSDSCD-LBPRGKRZSA-N 0 0 320.345 0.335 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ncoc2CC)CC12COC2 ZINC000452258819 417462385 /nfs/dbraw/zinc/46/23/85/417462385.db2.gz IVEHUUJXAJNCFI-JTQLQIEISA-N 0 0 308.334 0.889 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(NC)nc2)CC12COC2 ZINC000452266334 417464299 /nfs/dbraw/zinc/46/42/99/417464299.db2.gz SCAMGWVDLFEPIG-LBPRGKRZSA-N 0 0 319.361 0.775 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccnn2C)CC12COC2 ZINC000452265246 417464905 /nfs/dbraw/zinc/46/49/05/417464905.db2.gz PYPGUXZKPNQYEV-LBPRGKRZSA-N 0 0 307.350 0.001 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000633659260 417472546 /nfs/dbraw/zinc/47/25/46/417472546.db2.gz LPCACRDTJJICFH-KGLIPLIRSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000633688302 417479474 /nfs/dbraw/zinc/47/94/74/417479474.db2.gz RYKLPQIATQPVNE-CABCVRRESA-N 0 0 315.373 0.940 10 0 DCAERN CC[C@@H](NC(=O)C(=O)Nc1cccc(N(C)C)c1C)C(N)=O ZINC000453791368 417531509 /nfs/dbraw/zinc/53/15/09/417531509.db2.gz HQSSYFFAFQXCEX-SNVBAGLBSA-N 0 0 306.366 0.380 10 0 DCAERN COC(=O)c1c(N)nn2cc(I)cnc12 ZINC000575441055 417537669 /nfs/dbraw/zinc/53/76/69/417537669.db2.gz QSOFQYUUYWKKFD-UHFFFAOYSA-N 0 0 318.074 0.703 10 0 DCAERN Cc1cn2cc(NC(=O)CN3CCCC[C@H](O)C3=O)ccc2n1 ZINC000644339427 417542525 /nfs/dbraw/zinc/54/25/25/417542525.db2.gz ACTRFVUNJMEWRU-ZDUSSCGKSA-N 0 0 316.361 0.955 10 0 DCAERN CC[C@H](NC(=O)C(=O)Nc1cccc(N(C)C)c1C)C(=O)NC ZINC000454108348 417547275 /nfs/dbraw/zinc/54/72/75/417547275.db2.gz RVNUNIRDNLIDAC-NSHDSACASA-N 0 0 320.393 0.640 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1nc2ccccc2[nH]1 ZINC000644285367 417523688 /nfs/dbraw/zinc/52/36/88/417523688.db2.gz OYWIWAPFFBQOEK-GFCCVEGCSA-N 0 0 302.334 0.875 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644459739 417585496 /nfs/dbraw/zinc/58/54/96/417585496.db2.gz SXGNNTQHIHELGI-LBPRGKRZSA-N 0 0 308.382 0.855 10 0 DCAERN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)CCCO ZINC000576338506 417600613 /nfs/dbraw/zinc/60/06/13/417600613.db2.gz BDDMSNFNTKYYFJ-UHFFFAOYSA-N 0 0 312.297 0.392 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N1CCOCC13CCCC3)N(C)C2 ZINC000644407866 417569311 /nfs/dbraw/zinc/56/93/11/417569311.db2.gz NYDZZNPGOPZNAQ-CYBMUJFWSA-N 0 0 319.409 0.572 10 0 DCAERN O=C(NCCCCCO)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440040848 287392663 /nfs/dbraw/zinc/39/26/63/287392663.db2.gz ZZVJBBAWMKWULM-UHFFFAOYSA-N 0 0 319.361 0.641 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)s1 ZINC000440304778 287397855 /nfs/dbraw/zinc/39/78/55/287397855.db2.gz QAJZSJZLURYNSO-SECBINFHSA-N 0 0 324.406 0.642 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1N1CCO[C@H](CO)C1 ZINC000167753963 545878913 /nfs/dbraw/zinc/87/89/13/545878913.db2.gz GTHZOCCMIKCMOJ-NSHDSACASA-N 0 0 300.380 0.134 10 0 DCAERN O=C(CN1CCOC[C@@H]1CO)Nc1nc2ccccc2s1 ZINC000168891107 545879606 /nfs/dbraw/zinc/87/96/06/545879606.db2.gz BDYLAZOJWQEOAA-JTQLQIEISA-N 0 0 307.375 0.928 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000531633196 417632603 /nfs/dbraw/zinc/63/26/03/417632603.db2.gz XWEZBYCAQJVUML-UHFFFAOYSA-N 0 0 312.337 0.127 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCO)C[C@H]2C)c1C ZINC000457134737 417689707 /nfs/dbraw/zinc/68/97/07/417689707.db2.gz UERYBOOAOJRBFP-SNVBAGLBSA-N 0 0 307.394 0.973 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000532082668 417657314 /nfs/dbraw/zinc/65/73/14/417657314.db2.gz WGLAOGOCJWSKBY-STQMWFEESA-N 0 0 319.409 0.967 10 0 DCAERN COCC1(CNC(=O)[C@](C)(O)Cn2ccccc2=O)CCCC1 ZINC000456866022 417667714 /nfs/dbraw/zinc/66/77/14/417667714.db2.gz HBVVOEGNOQQUFU-MRXNPFEDSA-N 0 0 322.405 0.922 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)n1 ZINC000456899007 417670639 /nfs/dbraw/zinc/67/06/39/417670639.db2.gz IEBIAJYJZATWRV-ZDUSSCGKSA-N 0 0 307.398 0.762 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)CSc2nncs2)C1 ZINC000532374513 417675658 /nfs/dbraw/zinc/67/56/58/417675658.db2.gz HBYHWOXGOOJCFG-MRVPVSSYSA-N 0 0 315.424 0.550 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@]2(CO)CCCC(C)(C)C2)nn1 ZINC000628809746 417701820 /nfs/dbraw/zinc/70/18/20/417701820.db2.gz ONHXBISATIGELV-HNNXBMFYSA-N 0 0 308.382 0.928 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1C ZINC000458127015 417722766 /nfs/dbraw/zinc/72/27/66/417722766.db2.gz LZKOVYKIHVFKHX-CYBMUJFWSA-N 0 0 304.350 0.451 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1ncccc1Br ZINC000628921853 417727492 /nfs/dbraw/zinc/72/74/92/417727492.db2.gz LYPBIXHFFGCDMR-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1cncc(Br)c1 ZINC000628926698 417730409 /nfs/dbraw/zinc/73/04/09/417730409.db2.gz XMRGGUFSDJTBBO-LLVKDONJSA-N 0 0 314.183 0.905 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCc2cccnn2)c1 ZINC000444850507 287432143 /nfs/dbraw/zinc/43/21/43/287432143.db2.gz ONWKTJNGHUTGAC-UHFFFAOYSA-N 0 0 321.362 0.706 10 0 DCAERN COC(=O)[C@@]1(NC(=O)[C@@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000446636642 287439501 /nfs/dbraw/zinc/43/95/01/287439501.db2.gz GUUYBUORNOUHRH-BDJLRTHQSA-N 0 0 320.345 0.253 10 0 DCAERN COc1ccc(-c2noc(N3CC[C@H](NC(N)=O)C3)n2)cc1 ZINC000450411280 287448581 /nfs/dbraw/zinc/44/85/81/287448581.db2.gz NIZKFKRLKQOWLU-JTQLQIEISA-N 0 0 303.322 0.992 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NC[C@]1(O)CCOC1 ZINC000179793116 545900412 /nfs/dbraw/zinc/90/04/12/545900412.db2.gz BBAYCBZUPAFVHN-OAHLLOKOSA-N 0 0 310.398 0.420 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CO[C@@H](C)CC ZINC000487096816 287531855 /nfs/dbraw/zinc/53/18/55/287531855.db2.gz OBPCZEJPYRVHHW-DCAQKATOSA-N 0 0 302.371 0.374 10 0 DCAERN CCCCCNC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000492153160 287567060 /nfs/dbraw/zinc/56/70/60/287567060.db2.gz PWCRILMSJMIJJS-GHMZBOCLSA-N 0 0 301.387 0.932 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC(CO)C2)no1 ZINC000612420990 544732059 /nfs/dbraw/zinc/73/20/59/544732059.db2.gz BBDHSBCLTYBQTB-VIFPVBQESA-N 0 0 313.379 0.494 10 0 DCAERN COCc1cc(NCc2ccnc3ccnn32)n2ncnc2n1 ZINC000302045888 230059966 /nfs/dbraw/zinc/05/99/66/230059966.db2.gz NABYZGADPPVTDX-UHFFFAOYSA-N 0 0 310.321 0.926 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000110727214 261108096 /nfs/dbraw/zinc/10/80/96/261108096.db2.gz OGSONKBQLUIULD-UHFFFAOYSA-N 0 0 319.409 0.822 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000183513609 261116216 /nfs/dbraw/zinc/11/62/16/261116216.db2.gz WLXYDRBWVQTXLF-LLVKDONJSA-N 0 0 318.377 0.839 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187846834 261124775 /nfs/dbraw/zinc/12/47/75/261124775.db2.gz OTDAUEKGNFSPAG-VHSXEESVSA-N 0 0 308.334 0.974 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000188045246 261125745 /nfs/dbraw/zinc/12/57/45/261125745.db2.gz HMPUMYXIMNQXIO-CVEARBPZSA-N 0 0 321.421 0.528 10 0 DCAERN CO[C@H]1CN(C(=O)CSc2nnnn2C2CC2)CC[C@H]1C ZINC000188001947 261125889 /nfs/dbraw/zinc/12/58/89/261125889.db2.gz PSYYDIJMGVVBST-KOLCDFICSA-N 0 0 311.411 0.984 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)[C@H]1CCCN1c1nccs1 ZINC000188517655 261128268 /nfs/dbraw/zinc/12/82/68/261128268.db2.gz SPLMDMAESFEQMS-WDEREUQCSA-N 0 0 308.407 0.801 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)CCc1nc(C(C)(C)C)no1 ZINC000188549763 261128390 /nfs/dbraw/zinc/12/83/90/261128390.db2.gz BYZDNOSNOXRBCO-SNVBAGLBSA-N 0 0 308.382 0.989 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)s1 ZINC000188610503 261129319 /nfs/dbraw/zinc/12/93/19/261129319.db2.gz VFVOJHXNYFNCMB-VIFPVBQESA-N 0 0 309.391 0.687 10 0 DCAERN Cc1noc([C@H](C)N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189189366 261130670 /nfs/dbraw/zinc/13/06/70/261130670.db2.gz FUXGUTBGSXZOKJ-UWVGGRQHSA-N 0 0 306.374 0.341 10 0 DCAERN CC(=O)NC1CN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C1 ZINC000190463537 261134922 /nfs/dbraw/zinc/13/49/22/261134922.db2.gz WQLLGHDVWKFEDH-NSHDSACASA-N 0 0 303.362 0.542 10 0 DCAERN COCCN1CCCN(CCC(=O)Nc2cc(C)on2)CC1=O ZINC000190772199 261135360 /nfs/dbraw/zinc/13/53/60/261135360.db2.gz YSMOKCPEVHDAMW-UHFFFAOYSA-N 0 0 324.381 0.492 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC[C@H]1C ZINC000190692550 261135719 /nfs/dbraw/zinc/13/57/19/261135719.db2.gz UMXFARYWNLJXCO-RAIGVLPGSA-N 0 0 307.398 0.968 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000192470420 261138422 /nfs/dbraw/zinc/13/84/22/261138422.db2.gz REJQOYMJZVYYGS-NWDGAFQWSA-N 0 0 304.412 0.153 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H](C)Cn2cccn2)cn1 ZINC000193804900 261144071 /nfs/dbraw/zinc/14/40/71/261144071.db2.gz OQKBAQVZZZDOTF-NSHDSACASA-N 0 0 319.369 0.283 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)s1 ZINC000194230054 261144937 /nfs/dbraw/zinc/14/49/37/261144937.db2.gz ONQOYAIYNCEHLW-PELKAZGASA-N 0 0 309.391 0.639 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@H](C)n1nc(C)cc1C ZINC000194642729 261147036 /nfs/dbraw/zinc/14/70/36/261147036.db2.gz LRPIDIDEKNILMY-NSHDSACASA-N 0 0 302.400 0.116 10 0 DCAERN O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194861033 261148261 /nfs/dbraw/zinc/14/82/61/261148261.db2.gz UCMUOHYAEDBQBM-NWDGAFQWSA-N 0 0 323.418 0.374 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CNC(=O)C1 ZINC000194826562 261148349 /nfs/dbraw/zinc/14/83/49/261148349.db2.gz NFDTXNJCLNOOKB-ZDUSSCGKSA-N 0 0 303.362 0.287 10 0 DCAERN CCOCCOCC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000194858911 261148836 /nfs/dbraw/zinc/14/88/36/261148836.db2.gz WSFOGJLLLZSTEB-CYBMUJFWSA-N 0 0 308.378 0.861 10 0 DCAERN O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194866113 261149426 /nfs/dbraw/zinc/14/94/26/261149426.db2.gz TXSJXIUFOBLRQS-AWEZNQCLSA-N 0 0 321.421 0.764 10 0 DCAERN CCC(CC)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)N1CCOCC1 ZINC000194867475 261149879 /nfs/dbraw/zinc/14/98/79/261149879.db2.gz MGXCAMIPGJZBBY-ZIAGYGMSSA-N 0 0 311.426 0.376 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCn2ccnc2C1 ZINC000234608482 261154494 /nfs/dbraw/zinc/15/44/94/261154494.db2.gz SNODNBKQSNZXIS-GHMZBOCLSA-N 0 0 313.379 0.370 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2cnnn2C)c1 ZINC000358121404 261634786 /nfs/dbraw/zinc/63/47/86/261634786.db2.gz DCBXTZNXNLPFGC-UHFFFAOYSA-N 0 0 307.285 0.218 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000358189092 261644958 /nfs/dbraw/zinc/64/49/58/261644958.db2.gz UCSCJRAGWKCIBF-AWEZNQCLSA-N 0 0 308.382 0.932 10 0 DCAERN Cc1cn2c(ncc(C(=O)NC[C@H](CO)C3CC3)c2=O)s1 ZINC000358296690 261656207 /nfs/dbraw/zinc/65/62/07/261656207.db2.gz DWPPDCUTEDLFGW-SNVBAGLBSA-N 0 0 307.375 0.813 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCCc2cnn(C)c2)no1 ZINC000358564446 261682291 /nfs/dbraw/zinc/68/22/91/261682291.db2.gz GRBIIRNRSCIEMR-SNVBAGLBSA-N 0 0 322.369 0.943 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000358674533 261691148 /nfs/dbraw/zinc/69/11/48/261691148.db2.gz ZRCWLFUSRCXEHL-UWVGGRQHSA-N 0 0 323.315 0.467 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)CCc1nc2ccccc2oc1=O ZINC000361036621 261893496 /nfs/dbraw/zinc/89/34/96/261893496.db2.gz HOYCOSMKOSNMIE-SECBINFHSA-N 0 0 303.318 0.501 10 0 DCAERN CCOC(=O)C[C@H](C)S(=O)(=O)CC(=O)N(C)CC1CC1 ZINC000361075970 261894387 /nfs/dbraw/zinc/89/43/87/261894387.db2.gz VSRPGBUAPRPZHM-JTQLQIEISA-N 0 0 305.396 0.611 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)OCC ZINC000361551145 261937778 /nfs/dbraw/zinc/93/77/78/261937778.db2.gz OMVMYGZVRGUGOY-UMGRQFOVSA-N 0 0 311.426 0.636 10 0 DCAERN CO[C@@H]1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000361705227 261952352 /nfs/dbraw/zinc/95/23/52/261952352.db2.gz JVATYWPCCSIZLD-CQSZACIVSA-N 0 0 320.393 0.849 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000361900461 261974502 /nfs/dbraw/zinc/97/45/02/261974502.db2.gz GWHOYEGCWGFDKO-ZYHUDNBSSA-N 0 0 308.382 0.711 10 0 DCAERN COC(=O)C[C@@]1(NCC(=O)Nc2nc(C)cs2)CCOC1 ZINC000362277989 262018141 /nfs/dbraw/zinc/01/81/41/262018141.db2.gz JHTSZXGIHYFRRY-ZDUSSCGKSA-N 0 0 313.379 0.702 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2cc3n(n2)CCO3)no1 ZINC000362311935 262020623 /nfs/dbraw/zinc/02/06/23/262020623.db2.gz HNEXMROUDAEBQX-UHFFFAOYSA-N 0 0 320.305 0.715 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 ZINC000362464452 262038429 /nfs/dbraw/zinc/03/84/29/262038429.db2.gz KKICMWXZIKHREN-RKDXNWHRSA-N 0 0 323.349 0.403 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC(F)(F)F ZINC000362470796 262038868 /nfs/dbraw/zinc/03/88/68/262038868.db2.gz ZACOTWVYXJVWRU-RQJHMYQMSA-N 0 0 313.276 0.304 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000362534494 262044597 /nfs/dbraw/zinc/04/45/97/262044597.db2.gz QMFHEXPEQXKHOX-KGLIPLIRSA-N 0 0 319.361 0.432 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000362676052 262059852 /nfs/dbraw/zinc/05/98/52/262059852.db2.gz XLEMBJDEVQYDEB-ZWNOBZJWSA-N 0 0 304.346 0.873 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000362783820 262072062 /nfs/dbraw/zinc/07/20/62/262072062.db2.gz XVYKKFUGMSKBNJ-AWEZNQCLSA-N 0 0 324.402 0.976 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000363269327 262109248 /nfs/dbraw/zinc/10/92/48/262109248.db2.gz YAZILJZYWIKDOU-MMWGEVLESA-N 0 0 323.422 0.421 10 0 DCAERN CN1CC(=O)N(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)C1=O ZINC000363577372 262123063 /nfs/dbraw/zinc/12/30/63/262123063.db2.gz MJNISACAPAYJQK-UHFFFAOYSA-N 0 0 314.305 0.304 10 0 DCAERN CC(C)(C(=O)N1CC[C@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000394205457 262161740 /nfs/dbraw/zinc/16/17/40/262161740.db2.gz TUIWUDQRDBPSTO-SECBINFHSA-N 0 0 303.302 0.335 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@@H]([C@H](C)O)C2)cc1 ZINC000412090593 262182063 /nfs/dbraw/zinc/18/20/63/262182063.db2.gz PRAYJVLPTVOBIW-SWLSCSKDSA-N 0 0 306.362 0.909 10 0 DCAERN CSC[C@@H](C)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328654395 533687218 /nfs/dbraw/zinc/68/72/18/533687218.db2.gz XJMMWCHBODWMDB-MNOVXSKESA-N 0 0 303.428 0.680 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000176993127 270951335 /nfs/dbraw/zinc/95/13/35/270951335.db2.gz SPHIDWJBGQSTFM-AGIUHOORSA-N 0 0 306.428 0.004 10 0 DCAERN CCOC(=O)[C@H](NS(=O)(=O)CCCOC)[C@H]1CCCOC1 ZINC000358499653 271053272 /nfs/dbraw/zinc/05/32/72/271053272.db2.gz LPUAFTIAIXQKJS-NWDGAFQWSA-N 0 0 323.411 0.301 10 0 DCAERN Cn1cccc1[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC000358547153 271056301 /nfs/dbraw/zinc/05/63/01/271056301.db2.gz LRRXOPRVCGYMNW-OAHLLOKOSA-N 0 0 318.421 0.853 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)Nc2cccc(C(N)=O)n2)cn1 ZINC000358545996 271056312 /nfs/dbraw/zinc/05/63/12/271056312.db2.gz ZORHDIKHSDYBQL-UHFFFAOYSA-N 0 0 315.333 0.953 10 0 DCAERN COC(=O)[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)C1CC1 ZINC000358797784 271073845 /nfs/dbraw/zinc/07/38/45/271073845.db2.gz APHGBYXQOIQMDC-LBPRGKRZSA-N 0 0 323.393 0.782 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@H](CO)C1CC1 ZINC000359012758 271089383 /nfs/dbraw/zinc/08/93/83/271089383.db2.gz YEVPRURNDTZSKO-LLVKDONJSA-N 0 0 310.398 0.809 10 0 DCAERN Cc1c(NC(=O)NCCN2CCNC(=O)C2)cccc1N(C)C ZINC000359019680 271089555 /nfs/dbraw/zinc/08/95/55/271089555.db2.gz PCHKWBVWYMKRFX-UHFFFAOYSA-N 0 0 319.409 0.614 10 0 DCAERN O=C(NCCc1cn2c(n1)SCC2)NC[C@@H](CO)C1CC1 ZINC000359157194 271100272 /nfs/dbraw/zinc/10/02/72/271100272.db2.gz JTDSBLCHNNHUTC-NSHDSACASA-N 0 0 310.423 0.849 10 0 DCAERN COC(=O)c1ccc(CN2CCN(Cc3nc(C)no3)CC2)[nH]1 ZINC000359238488 271110777 /nfs/dbraw/zinc/11/07/77/271110777.db2.gz RDDJVTMQUDVWJB-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN COC(=O)c1cn(CC(=O)Nc2cccc(CCCO)c2)nn1 ZINC000359609772 271130921 /nfs/dbraw/zinc/13/09/21/271130921.db2.gz LKHBFYLHLKJXKQ-UHFFFAOYSA-N 0 0 318.333 0.628 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](CO)C1CC1 ZINC000359772012 271142211 /nfs/dbraw/zinc/14/22/11/271142211.db2.gz CMCJRFIDAAPRLO-GHMZBOCLSA-N 0 0 306.428 0.085 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)NCCc2nnc(C)[nH]2)s1 ZINC000440098196 271649682 /nfs/dbraw/zinc/64/96/82/271649682.db2.gz DLAPJADEYFOQQW-UHFFFAOYSA-N 0 0 322.394 0.738 10 0 DCAERN COCCCN(CCO)C(=O)NCCc1cccc(OC)n1 ZINC000446677035 271764199 /nfs/dbraw/zinc/76/41/99/271764199.db2.gz NUPOFTRVMDYPCS-UHFFFAOYSA-N 0 0 311.382 0.673 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1ccc(-n2nnnc2C)cc1F ZINC000448903118 271835583 /nfs/dbraw/zinc/83/55/83/271835583.db2.gz FMLPUJALPLZHLG-UHFFFAOYSA-N 0 0 321.312 0.745 10 0 DCAERN CCN(CC(=O)OC)S(=O)(=O)CCc1scnc1C ZINC000451165691 271891157 /nfs/dbraw/zinc/89/11/57/271891157.db2.gz NTMMVYQKVSLFPO-UHFFFAOYSA-N 0 0 306.409 0.819 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)[C@@H](C)COC)CC12COC2 ZINC000452218166 271911112 /nfs/dbraw/zinc/91/11/12/271911112.db2.gz FEXJMMFYWAJEEV-AVGNSLFASA-N 0 0 313.394 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc[nH]c2=O)CC12COC2 ZINC000452231626 271911606 /nfs/dbraw/zinc/91/16/06/271911606.db2.gz UOGJZFYPFOGVAA-LLVKDONJSA-N 0 0 306.318 0.439 10 0 DCAERN CCN1C[C@H](NC(=O)c2ccc(-n3cncn3)c(C)c2)CC1=O ZINC000452953880 271924774 /nfs/dbraw/zinc/92/47/74/271924774.db2.gz MWGFJTFJABQADS-CYBMUJFWSA-N 0 0 313.361 0.926 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458144057 271944684 /nfs/dbraw/zinc/94/46/84/271944684.db2.gz PTMNGLXAYWWXFQ-PWSUYJOCSA-N 0 0 308.313 0.362 10 0 DCAERN Cc1cccc(C)c1OCCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458152805 271945107 /nfs/dbraw/zinc/94/51/07/271945107.db2.gz XTTDUMNAXWNPMP-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)OC ZINC000466497731 272027140 /nfs/dbraw/zinc/02/71/40/272027140.db2.gz UNUQZQUPMWVFTN-UMSGYPCISA-N 0 0 304.387 0.530 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000471851346 272031994 /nfs/dbraw/zinc/03/19/94/272031994.db2.gz YIJOWRSAWNYYSJ-RYUDHWBXSA-N 0 0 319.427 0.277 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)c1cccnc1 ZINC000490074466 272070263 /nfs/dbraw/zinc/07/02/63/272070263.db2.gz JDEKIVWGKFCLST-LSDHHAIUSA-N 0 0 305.378 0.675 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(C)C ZINC000492046516 272114150 /nfs/dbraw/zinc/11/41/50/272114150.db2.gz NFPHXRZETIGCLP-GHMZBOCLSA-N 0 0 301.387 0.788 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000492658898 272141031 /nfs/dbraw/zinc/14/10/31/272141031.db2.gz AQCRYYILRXYNFP-HYXAFXHYSA-N 0 0 309.753 0.722 10 0 DCAERN CSC[C@@H](O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000493108642 272168753 /nfs/dbraw/zinc/16/87/53/272168753.db2.gz WUGOTWAJNAXHGH-LBPRGKRZSA-N 0 0 305.407 0.880 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC000495234441 272242033 /nfs/dbraw/zinc/24/20/33/272242033.db2.gz UIGBHMQJIFKWRE-WOPDTQHZSA-N 0 0 311.382 0.851 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000526061896 272589474 /nfs/dbraw/zinc/58/94/74/272589474.db2.gz KRTMKBHTHBNULP-IUCAKERBSA-N 0 0 303.384 0.418 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000526924616 272594494 /nfs/dbraw/zinc/59/44/94/272594494.db2.gz VXHYLMSPDSKACN-UHFFFAOYSA-N 0 0 320.374 0.613 10 0 DCAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(C)Cc1nnnn1C ZINC000532062484 272776950 /nfs/dbraw/zinc/77/69/50/272776950.db2.gz FKFNPZTZCUUSAO-AAEUAGOBSA-N 0 0 310.402 0.803 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)N(C)Cc1nnnn1C)C2 ZINC000532318468 272783794 /nfs/dbraw/zinc/78/37/94/272783794.db2.gz STHRGCXZWIEALG-NSHDSACASA-N 0 0 316.369 0.007 10 0 DCAERN CC(=O)N1c2ccc(S(=O)(=O)NCC3COC3)cc2C[C@@H]1C ZINC000528563820 287719888 /nfs/dbraw/zinc/71/98/88/287719888.db2.gz LGLQMLFSNGJTPV-JTQLQIEISA-N 0 0 324.402 0.909 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000072897139 274314594 /nfs/dbraw/zinc/31/45/94/274314594.db2.gz CZWCUDOQBAZPQD-VHSXEESVSA-N 0 0 320.393 0.757 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC23CCC3)C1 ZINC000530725493 287755950 /nfs/dbraw/zinc/75/59/50/287755950.db2.gz AHZXRZYZAVMDLX-NSHDSACASA-N 0 0 301.412 0.748 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000531550036 287780958 /nfs/dbraw/zinc/78/09/58/287780958.db2.gz IIXQHRPZGIIEMA-UHFFFAOYSA-N 0 0 318.337 0.323 10 0 DCAERN CC(C)CCn1nccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000535032040 287825401 /nfs/dbraw/zinc/82/54/01/287825401.db2.gz UDFDFDRIZAQIFH-UHFFFAOYSA-N 0 0 318.381 0.918 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328727272 275763739 /nfs/dbraw/zinc/76/37/39/275763739.db2.gz VASKARZXVPRSAI-HUUCEWRRSA-N 0 0 302.378 0.565 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000536527765 287855331 /nfs/dbraw/zinc/85/53/31/287855331.db2.gz UPSCRBSNAYIDOD-SSDOTTSWSA-N 0 0 301.144 0.660 10 0 DCAERN NC(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000541870769 287929804 /nfs/dbraw/zinc/92/98/04/287929804.db2.gz RKMSEUGFVKFNAU-JTQLQIEISA-N 0 0 319.333 0.537 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000371510310 277014839 /nfs/dbraw/zinc/01/48/39/277014839.db2.gz LCWPZVVJNDMDGX-CYBMUJFWSA-N 0 0 322.434 0.800 10 0 DCAERN CC(C)(C)Oc1ccc(C(=O)N2CCOC[C@@H]2CC(N)=O)nc1 ZINC000457033645 277219443 /nfs/dbraw/zinc/21/94/43/277219443.db2.gz JGMAIOLLZOIIMM-NSHDSACASA-N 0 0 321.377 0.975 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@@H]1C ZINC000329529336 277224474 /nfs/dbraw/zinc/22/44/74/277224474.db2.gz TVEQYCRLOQTRGW-BYNSBNAKSA-N 0 0 312.410 0.217 10 0 DCAERN CNC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000266040694 277258602 /nfs/dbraw/zinc/25/86/02/277258602.db2.gz UXVPPDLYKFIESB-UHFFFAOYSA-N 0 0 315.333 0.392 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2nnc(C)[nH]2)N(C)C1 ZINC000329126650 277345709 /nfs/dbraw/zinc/34/57/09/277345709.db2.gz MSYZILSTRIRFTQ-AVGNSLFASA-N 0 0 307.398 0.886 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000408137216 277374714 /nfs/dbraw/zinc/37/47/14/277374714.db2.gz IOONGYKZMWJWSN-QWHCGFSZSA-N 0 0 307.460 0.206 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000543604828 287960737 /nfs/dbraw/zinc/96/07/37/287960737.db2.gz FKRISKGQPMTKPX-HUUCEWRRSA-N 0 0 323.437 0.567 10 0 DCAERN O=C(CCNC(=O)c1cccc2ncnn21)N1CCCCC1 ZINC000543866075 287969320 /nfs/dbraw/zinc/96/93/20/287969320.db2.gz CAPSLIRUJCOUKP-UHFFFAOYSA-N 0 0 301.350 0.862 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCC1=O ZINC000294472201 277856040 /nfs/dbraw/zinc/85/60/40/277856040.db2.gz IXAZASBWPKCFOD-SECBINFHSA-N 0 0 315.329 0.420 10 0 DCAERN O=C(Nc1cccc2c1OCO2)N[C@@H]1CCCN(CCO)C1=O ZINC000545330082 287997089 /nfs/dbraw/zinc/99/70/89/287997089.db2.gz ZQIGBEDXEDHEPY-LLVKDONJSA-N 0 0 321.333 0.520 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000172766198 278019332 /nfs/dbraw/zinc/01/93/32/278019332.db2.gz PHQPNFNROLRITD-LSDHHAIUSA-N 0 0 309.410 0.178 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@]3(CCCOC3)C2)C1 ZINC000408052345 278031270 /nfs/dbraw/zinc/03/12/70/278031270.db2.gz LGFBETAABOXHND-IAGOWNOFSA-N 0 0 324.421 0.779 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)C1 ZINC000329321080 278032125 /nfs/dbraw/zinc/03/21/25/278032125.db2.gz GNGWTTMNVAOXGA-DJIMGWMZSA-N 0 0 324.421 0.776 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000545894985 288005095 /nfs/dbraw/zinc/00/50/95/288005095.db2.gz VIAALGSDNKXBPC-BFHYXJOUSA-N 0 0 321.439 0.052 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCC(C)(C)C(N)=O)n1 ZINC000192598149 278067517 /nfs/dbraw/zinc/06/75/17/278067517.db2.gz GBHQJUCIYHWPAD-UHFFFAOYSA-N 0 0 312.395 0.833 10 0 DCAERN CC(C)c1ncncc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324687 278084245 /nfs/dbraw/zinc/08/42/45/278084245.db2.gz PUAJQPNLBXUCIU-UHFFFAOYSA-N 0 0 313.361 0.892 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000546025180 288012819 /nfs/dbraw/zinc/01/28/19/288012819.db2.gz FNXQLVPRBHUXDV-QWHCGFSZSA-N 0 0 314.407 0.745 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171086606 278143875 /nfs/dbraw/zinc/14/38/75/278143875.db2.gz UABLKBHGEPTSIF-CHWSQXEVSA-N 0 0 320.397 0.211 10 0 DCAERN CC1(C)CN(c2cncc(C(N)=O)n2)C[C@@]2(CCCOC2)O1 ZINC000408337166 278344565 /nfs/dbraw/zinc/34/45/65/278344565.db2.gz FAHQDOCETVREID-OAHLLOKOSA-N 0 0 306.366 0.740 10 0 DCAERN CC1(C)[C@H](NC(=O)NCc2cccnc2-n2cncn2)C[C@@H]1O ZINC000190187774 278439927 /nfs/dbraw/zinc/43/99/27/278439927.db2.gz LWTJHLQTVAHTOT-NEPJUHHUSA-N 0 0 316.365 0.621 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000547438937 288045825 /nfs/dbraw/zinc/04/58/25/288045825.db2.gz WTABSHOMTPQKFQ-CMPLNLGQSA-N 0 0 316.427 0.251 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000068096729 278563195 /nfs/dbraw/zinc/56/31/95/278563195.db2.gz QHAIVPNVXNQQKK-XQQFMLRXSA-N 0 0 309.410 0.747 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121394788 278632972 /nfs/dbraw/zinc/63/29/72/278632972.db2.gz FGZFCVQPYUGZDT-BXUZGUMPSA-N 0 0 318.439 0.468 10 0 DCAERN CN(C[C@@H]1CCCOC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000547732434 288073420 /nfs/dbraw/zinc/07/34/20/288073420.db2.gz ZTXNLMXOXWWIAW-XJKSGUPXSA-N 0 0 308.378 0.484 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000407978523 278833990 /nfs/dbraw/zinc/83/39/90/278833990.db2.gz ZINQKOIOYLEJQQ-NWDGAFQWSA-N 0 0 303.428 0.562 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000548064361 288108420 /nfs/dbraw/zinc/10/84/20/288108420.db2.gz DOWGQZFUDMDWCV-KEYYUXOJSA-N 0 0 320.389 0.673 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000548079748 288109772 /nfs/dbraw/zinc/10/97/72/288109772.db2.gz OUYADBYPHFSRQT-UHFFFAOYSA-N 0 0 316.405 0.594 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000249380087 279293910 /nfs/dbraw/zinc/29/39/10/279293910.db2.gz UZOGQPILKBHBRW-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ccncc2C(N)=O)CC1 ZINC000548288933 288129020 /nfs/dbraw/zinc/12/90/20/288129020.db2.gz MHAFPCAGLMXXCD-UHFFFAOYSA-N 0 0 306.366 0.254 10 0 DCAERN CN(CCN(C)c1ccccc1)C(=O)CN1CCOCC1=O ZINC000548388433 288138525 /nfs/dbraw/zinc/13/85/25/288138525.db2.gz FIOBPOQBGRNOJR-UHFFFAOYSA-N 0 0 305.378 0.440 10 0 DCAERN O=C(C1CCCCC1)N1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000548451321 288144432 /nfs/dbraw/zinc/14/44/32/288144432.db2.gz BDGBFGGTSYHEPH-UHFFFAOYSA-N 0 0 315.439 0.708 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NCC(F)(F)CO)C12CCOCC2 ZINC000185698737 279807078 /nfs/dbraw/zinc/80/70/78/279807078.db2.gz OTPPIQIOVJJDOF-GHMZBOCLSA-N 0 0 322.352 0.887 10 0 DCAERN COC[C@H](NC(=O)CN1CCOCC1=O)c1ccc(F)cc1 ZINC000548717021 288170347 /nfs/dbraw/zinc/17/03/47/288170347.db2.gz CEARHJFTTNHMCJ-ZDUSSCGKSA-N 0 0 310.325 0.488 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCCc2n[nH]cc21 ZINC000548720457 288170599 /nfs/dbraw/zinc/17/05/99/288170599.db2.gz MVMYNSHLNKINED-HNNXBMFYSA-N 0 0 302.334 0.302 10 0 DCAERN CC(C)CN1CCN(C(=O)COc2cnn(C)c2)[C@@H](C)C1=O ZINC000548762270 288173814 /nfs/dbraw/zinc/17/38/14/288173814.db2.gz NDQHXDCUJDFUMJ-LBPRGKRZSA-N 0 0 308.382 0.514 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CCC(C2CCOCC2)CC1 ZINC000548792978 288176671 /nfs/dbraw/zinc/17/66/71/288176671.db2.gz IQXKAYPGJXLJHO-UHFFFAOYSA-N 0 0 323.393 0.594 10 0 DCAERN CC[C@H]1CCCCCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000190639723 288182587 /nfs/dbraw/zinc/18/25/87/288182587.db2.gz VRFFJTDVDPZPAA-LBPRGKRZSA-N 0 0 321.381 0.488 10 0 DCAERN C[C@@H](CNC(=O)NC1(CCO)CCCCC1)S(C)(=O)=O ZINC000549161075 288193967 /nfs/dbraw/zinc/19/39/67/288193967.db2.gz KRJANLNWYFVALP-NSHDSACASA-N 0 0 306.428 0.804 10 0 DCAERN O=C(c1ccc2c(n1)CCCC2)N1CCN2C(=O)NC[C@@H]2C1 ZINC000333416198 280198609 /nfs/dbraw/zinc/19/86/09/280198609.db2.gz FDJBSFIBVGJUHA-GFCCVEGCSA-N 0 0 300.362 0.810 10 0 DCAERN CC[C@@H](O)CN1CCN(c2ncccc2S(C)(=O)=O)CC1 ZINC000302759904 280209309 /nfs/dbraw/zinc/20/93/09/280209309.db2.gz WWXXREAEKUZGMK-GFCCVEGCSA-N 0 0 313.423 0.378 10 0 DCAERN Cc1cc(CNC(=O)C(=O)Nc2ccc3nccn3c2)n(C)n1 ZINC000551745266 288234454 /nfs/dbraw/zinc/23/44/54/288234454.db2.gz LITRODXTMMCEOF-UHFFFAOYSA-N 0 0 312.333 0.631 10 0 DCAERN O=S(=O)(N1CCC1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000552098353 288264465 /nfs/dbraw/zinc/26/44/65/288264465.db2.gz YLPWFJKBZIOXFD-CQSZACIVSA-N 0 0 312.391 0.717 10 0 DCAERN COCCN(C(=O)C(=O)Nc1ccc2nccn2c1)C1CC1 ZINC000552711086 288279667 /nfs/dbraw/zinc/27/96/67/288279667.db2.gz IPOBXKYXQVLYDE-UHFFFAOYSA-N 0 0 302.334 0.910 10 0 DCAERN COC[C@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000553082335 288286265 /nfs/dbraw/zinc/28/62/65/288286265.db2.gz AGGPFZQBPDYGSQ-NSHDSACASA-N 0 0 302.334 0.768 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC(=O)N1 ZINC000408202770 281223478 /nfs/dbraw/zinc/22/34/78/281223478.db2.gz NXUBAAXFGBBERZ-MNOVXSKESA-N 0 0 316.423 0.327 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000282041175 281278195 /nfs/dbraw/zinc/27/81/95/281278195.db2.gz OTOFTLKDFGEVJK-UHFFFAOYSA-N 0 0 324.402 0.911 10 0 DCAERN C[C@@H]1CN(C(=O)COc2cnn(C)c2)CC2(CCOCC2)O1 ZINC000554579614 288330705 /nfs/dbraw/zinc/33/07/05/288330705.db2.gz ALQSQXOMEUHWRP-GFCCVEGCSA-N 0 0 309.366 0.595 10 0 DCAERN CCn1c([C@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000555149734 288345001 /nfs/dbraw/zinc/34/50/01/288345001.db2.gz QAEIPIXLHPGEFA-QWHCGFSZSA-N 0 0 307.398 0.323 10 0 DCAERN Cc1cnc(C)c(N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000273850555 281583045 /nfs/dbraw/zinc/58/30/45/281583045.db2.gz JSSRMBQQGZVBSB-UHFFFAOYSA-N 0 0 310.365 0.858 10 0 DCAERN CC1=C(C(=O)N2CC(n3ccnn3)C2)[C@@H](C)n2ncnc2N1C ZINC000366975529 281623168 /nfs/dbraw/zinc/62/31/68/281623168.db2.gz WJROZSGCRHVNDE-SNVBAGLBSA-N 0 0 314.353 0.238 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000191276470 288345360 /nfs/dbraw/zinc/34/53/60/288345360.db2.gz XPGCZLYYXXFTEW-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN CC1CCC(N2C[C@@H](C(=O)N3CCNC(=O)CC3)CC2=O)CC1 ZINC000066831023 281742744 /nfs/dbraw/zinc/74/27/44/281742744.db2.gz UOZNPABKEZPTKX-MOKVOYLWSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)Cn1nnc2ccccc2c1=O ZINC000131259952 288372173 /nfs/dbraw/zinc/37/21/73/288372173.db2.gz NAXDWNCFBHGUDJ-GHMZBOCLSA-N 0 0 302.334 0.427 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCCCCn2ccnc2)C1 ZINC000556654588 288380837 /nfs/dbraw/zinc/38/08/37/288380837.db2.gz IBCMJELEBVQOLE-STQMWFEESA-N 0 0 308.382 0.463 10 0 DCAERN O=C(CN1CCCNC1=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000556747416 288390316 /nfs/dbraw/zinc/39/03/16/288390316.db2.gz NVUXJWZYOJKKGC-NSHDSACASA-N 0 0 319.365 0.678 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H](CO)CC1CCC1 ZINC000557339062 288417869 /nfs/dbraw/zinc/41/78/69/288417869.db2.gz DFMLHHBZWNIYER-ZDUSSCGKSA-N 0 0 316.361 0.940 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000370473406 288467388 /nfs/dbraw/zinc/46/73/88/288467388.db2.gz RISNDNAFMDWMRU-KCQAQPDRSA-N 0 0 314.451 0.754 10 0 DCAERN CN(C(=O)Nc1ccc(N2CCC2=O)cc1)[C@H]1CCNC1=O ZINC000559714091 288477828 /nfs/dbraw/zinc/47/78/28/288477828.db2.gz VFUSZQYCOSUZPP-LBPRGKRZSA-N 0 0 302.334 0.776 10 0 DCAERN CC(C)SCC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000561091606 288525868 /nfs/dbraw/zinc/52/58/68/288525868.db2.gz XJZDIMUVELNZGY-UHFFFAOYSA-N 0 0 308.469 0.916 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H](C)S(C)(=O)=O)cc1 ZINC000564891180 288783474 /nfs/dbraw/zinc/78/34/74/288783474.db2.gz PPCWEMQCZRXKTJ-JTQLQIEISA-N 0 0 312.391 0.832 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)[C@H]1CCOC1 ZINC000329655765 288880304 /nfs/dbraw/zinc/88/03/04/288880304.db2.gz FYAXNCYLLWJBJW-GUTXKFCHSA-N 0 0 320.393 0.577 10 0 DCAERN C[C@@]1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)CCC(=O)NC1 ZINC000332679466 289148988 /nfs/dbraw/zinc/14/89/88/289148988.db2.gz DGKHILBCANWRQM-BLLLJJGKSA-N 0 0 301.346 0.434 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC2(CCOCC2)C1 ZINC000408186516 289228112 /nfs/dbraw/zinc/22/81/12/289228112.db2.gz UVFXGUAFMPNQLH-UHFFFAOYSA-N 0 0 304.412 0.297 10 0 DCAERN CN1CCOC[C@@H]1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000408036244 290069219 /nfs/dbraw/zinc/06/92/19/290069219.db2.gz QPSFRQBYIJWKRT-SECBINFHSA-N 0 0 316.155 0.819 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000170785177 290395363 /nfs/dbraw/zinc/39/53/63/290395363.db2.gz LIHABJANMSJOIK-ZDUSSCGKSA-N 0 0 317.389 0.942 10 0 DCAERN CO[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC[C@H]1C ZINC000408255443 293808815 /nfs/dbraw/zinc/80/88/15/293808815.db2.gz HVNNJMILUGYVRR-SIVJFFJCSA-N 0 0 323.393 0.590 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCC[C@H]3C2)C[C@@H](C)O1 ZINC000247329740 297054210 /nfs/dbraw/zinc/05/42/10/297054210.db2.gz GVFVSOVKDNBCSW-MQYQWHSLSA-N 0 0 318.439 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@@](=O)CC2(C)C)C[C@H](C)O1 ZINC000189178923 297055005 /nfs/dbraw/zinc/05/50/05/297055005.db2.gz FACGLIWIKNWFAD-RMDKCXRXSA-N 0 0 324.468 0.183 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCN1C ZINC000275386671 294419433 /nfs/dbraw/zinc/41/94/33/294419433.db2.gz AJGHAOFMYMQMNZ-KGLIPLIRSA-N 0 0 321.425 0.987 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000451891358 299859670 /nfs/dbraw/zinc/85/96/70/299859670.db2.gz OIIHWHACJIEYBW-RYUDHWBXSA-N 0 0 324.468 0.615 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H](N3CCOCC3)C1)CC2 ZINC000328817774 294560982 /nfs/dbraw/zinc/56/09/82/294560982.db2.gz OBKWCRPPYOOMBX-ZFWWWQNUSA-N 0 0 318.421 0.458 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)C2(O)CCCCC2)C[C@H]1C(F)(F)F ZINC000299740483 295117095 /nfs/dbraw/zinc/11/70/95/295117095.db2.gz BBTQMMXOFNBXGT-RKDXNWHRSA-N 0 0 308.300 0.804 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000178766933 295189142 /nfs/dbraw/zinc/18/91/42/295189142.db2.gz BXLGHCJNSXPROC-ONXXMXGDSA-N 0 0 324.402 0.567 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000056100580 295378452 /nfs/dbraw/zinc/37/84/52/295378452.db2.gz GXUCQLPHCUFCHN-WDEREUQCSA-N 0 0 312.391 0.970 10 0 DCAERN O=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000330562811 295526058 /nfs/dbraw/zinc/52/60/58/295526058.db2.gz JIHLDZBXKWATFK-GMTAPVOTSA-N 0 0 311.300 0.954 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000376196822 297265012 /nfs/dbraw/zinc/26/50/12/297265012.db2.gz MSSPTGSLIFNVEX-KFWWJZLASA-N 0 0 324.421 0.851 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000192324512 297308967 /nfs/dbraw/zinc/30/89/67/297308967.db2.gz SUCWIAHZFBARHZ-ADEWGFFLSA-N 0 0 312.395 0.310 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000056100494 297361192 /nfs/dbraw/zinc/36/11/92/297361192.db2.gz OPLIGEKHFTVVEH-RNJOBUHISA-N 0 0 317.455 0.795 10 0 DCAERN C[C@H](C(=O)N1CCSC[C@H]1c1cnn(C)c1)N1CCOCC1 ZINC000330162703 298070793 /nfs/dbraw/zinc/07/07/93/298070793.db2.gz UTJFKAMZUFXRRI-OCCSQVGLSA-N 0 0 324.450 0.757 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1nc2ccccn2n1 ZINC000184432458 300034015 /nfs/dbraw/zinc/03/40/15/300034015.db2.gz ZOBQWYMXCZQLNG-VHSXEESVSA-N 0 0 302.338 0.847 10 0 DCAERN C[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCS1 ZINC000175508972 300141042 /nfs/dbraw/zinc/14/10/42/300141042.db2.gz NYCKKFGJEMUTDC-JTQLQIEISA-N 0 0 306.453 0.958 10 0 DCAERN C[C@H]1CN(C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939212 300213607 /nfs/dbraw/zinc/21/36/07/300213607.db2.gz JSGPNMNLMCGHOC-NSHDSACASA-N 0 0 308.407 0.835 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000179686857 301194851 /nfs/dbraw/zinc/19/48/51/301194851.db2.gz DBUCGXATVJILPN-LBPRGKRZSA-N 0 0 312.391 0.487 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000183740859 301323855 /nfs/dbraw/zinc/32/38/55/301323855.db2.gz WUGKAQLTBSPXHB-YGRLFVJLSA-N 0 0 319.336 0.270 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000408228470 302291597 /nfs/dbraw/zinc/29/15/97/302291597.db2.gz XPCUCHBPMMEASS-OLZOCXBDSA-N 0 0 313.423 0.466 10 0 DCAERN Cc1nc2c(cccc2C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)o1 ZINC000285318237 302650847 /nfs/dbraw/zinc/65/08/47/302650847.db2.gz KSCOJNSSXFTTPN-OQPBUACISA-N 0 0 303.318 0.851 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccnc2)cn1 ZINC000181698545 302925261 /nfs/dbraw/zinc/92/52/61/302925261.db2.gz YVAOASAFJADOHD-ZDUSSCGKSA-N 0 0 307.379 0.150 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)N[C@H]2CCCOCC2)CCN1C ZINC000275386675 303007052 /nfs/dbraw/zinc/00/70/52/303007052.db2.gz AJGHAOFMYMQMNZ-UONOGXRCSA-N 0 0 321.425 0.987 10 0 DCAERN NC(=O)N1CCCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085769 303264363 /nfs/dbraw/zinc/26/43/63/303264363.db2.gz PYNNEYGOHJEURK-JTQLQIEISA-N 0 0 322.331 0.626 10 0 DCAERN NC(=O)[C@@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408079413 303294256 /nfs/dbraw/zinc/29/42/56/303294256.db2.gz IXWYLUQFSGWCPA-NSHDSACASA-N 0 0 303.318 0.498 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1nc(Cl)ccc1Cl ZINC000126751652 303334279 /nfs/dbraw/zinc/33/42/79/303334279.db2.gz RNYJCGPYZCEVBX-SSDOTTSWSA-N 0 0 304.133 0.715 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329318947 303660463 /nfs/dbraw/zinc/66/04/63/303660463.db2.gz DMFOIFAGOLYUTD-NSHDSACASA-N 0 0 303.322 0.426 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](C2CC2)O1 ZINC000332819300 332878337 /nfs/dbraw/zinc/87/83/37/332878337.db2.gz XPWIMUUFQAVZAS-SCUASFONSA-N 0 0 321.381 0.427 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@H]2CCO[C@H]2C(C)C)N(C(C)=O)C1 ZINC000332922253 332908031 /nfs/dbraw/zinc/90/80/31/332908031.db2.gz OJBZECRYBXJBQW-BARDWOONSA-N 0 0 312.410 0.800 10 0 DCAERN CCC1(CC)CN(C(=O)CCNS(C)(=O)=O)CC[S@@]1=O ZINC000186762740 332944125 /nfs/dbraw/zinc/94/41/25/332944125.db2.gz AWERTUBHWDNCNC-IBGZPJMESA-N 0 0 324.468 0.075 10 0 DCAERN C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCS1(=O)=O ZINC000172372060 332670654 /nfs/dbraw/zinc/67/06/54/332670654.db2.gz DHZWKEUKEIMOIN-NSHDSACASA-N 0 0 318.439 0.574 10 0 DCAERN C[C@@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)Cn1cccn1 ZINC000188351992 333044818 /nfs/dbraw/zinc/04/48/18/333044818.db2.gz YRTDJCSSJWMXJK-JTQLQIEISA-N 0 0 312.333 0.581 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccn(C)n2)C[C@]2(CCCOC2)O1 ZINC000570993952 333477658 /nfs/dbraw/zinc/47/76/58/333477658.db2.gz XZRIDLROJARFCA-WFASDCNBSA-N 0 0 308.382 0.900 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCOCC2CCC2)co1 ZINC000582819401 337199650 /nfs/dbraw/zinc/19/96/50/337199650.db2.gz HYIYQRNNAWIFIQ-UHFFFAOYSA-N 0 0 302.352 0.474 10 0 DCAERN CC(=O)N1CCN(c2nnc(-c3scnc3C)n2C)CC1 ZINC000574988491 337669944 /nfs/dbraw/zinc/66/99/44/337669944.db2.gz AEEXELTYDFFCEM-UHFFFAOYSA-N 0 0 306.395 0.916 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000176100664 341859553 /nfs/dbraw/zinc/85/95/53/341859553.db2.gz KCZPRAVNEPAWMM-UHFFFAOYSA-N 0 0 309.753 0.873 10 0 DCAERN C[C@@H](CN1CCN(CC(F)(F)F)CC1)CS(C)(=O)=O ZINC000176956522 533844912 /nfs/dbraw/zinc/84/49/12/533844912.db2.gz YWVJNXACSWBMFL-JTQLQIEISA-N 0 0 302.362 0.847 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCCc2c1cnn2C ZINC000299578763 534273593 /nfs/dbraw/zinc/27/35/93/534273593.db2.gz BHRIFTZACFNTQC-JQWIXIFHSA-N 0 0 303.370 0.777 10 0 DCAERN NC(=O)NC(=O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932313 534385646 /nfs/dbraw/zinc/38/56/46/534385646.db2.gz MVRRYQSQBFAOBH-UHFFFAOYSA-N 0 0 309.341 0.390 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCOCC2)c1 ZINC000266762241 519453630 /nfs/dbraw/zinc/45/36/30/519453630.db2.gz QFBAMNCOKJFDHU-UHFFFAOYSA-N 0 0 305.334 0.467 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccnc(OC(C)C)c1 ZINC000366410355 519636234 /nfs/dbraw/zinc/63/62/34/519636234.db2.gz YRQARSYDWKVIBB-ZIAGYGMSSA-N 0 0 321.377 0.467 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000190500876 519648999 /nfs/dbraw/zinc/64/89/99/519648999.db2.gz MHFJOZCFOOIWST-ZDUSSCGKSA-N 0 0 315.373 0.695 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000156577499 519658437 /nfs/dbraw/zinc/65/84/37/519658437.db2.gz QFEWUIAELYEQCC-UHFFFAOYSA-N 0 0 307.398 0.835 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000153306693 519800907 /nfs/dbraw/zinc/80/09/07/519800907.db2.gz HMBRUBLISXZLQF-ZDUSSCGKSA-N 0 0 307.398 0.762 10 0 DCAERN CCN(CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000243254556 520330773 /nfs/dbraw/zinc/33/07/73/520330773.db2.gz KRRDNVBTXRBIJD-ZDUSSCGKSA-N 0 0 302.440 0.944 10 0 DCAERN CCN(CC(N)=O)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000189675550 520435573 /nfs/dbraw/zinc/43/55/73/520435573.db2.gz WZMIRJZLNLATTL-UHFFFAOYSA-N 0 0 305.256 0.970 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@@H](C)[C@H](CO)C3)cc12 ZINC000328616005 534492228 /nfs/dbraw/zinc/49/22/28/534492228.db2.gz ZKQQXXCXGUJIHD-SCZZXKLOSA-N 0 0 311.363 0.780 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)NCc2ccnn2C)C1(C)C ZINC000187482777 520450096 /nfs/dbraw/zinc/45/00/96/520450096.db2.gz CIRKOYBXWXDFHF-IUODEOHRSA-N 0 0 310.398 0.785 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(CCO)CC1 ZINC000157565901 520520551 /nfs/dbraw/zinc/52/05/51/520520551.db2.gz SPYKFLVFLPURIO-GFCCVEGCSA-N 0 0 318.439 0.469 10 0 DCAERN CC1(CNC(=O)CNC(=O)Cc2cccc(F)c2)OCCCO1 ZINC000191135393 520706320 /nfs/dbraw/zinc/70/63/20/520706320.db2.gz JZLSBYLBNKOCMU-UHFFFAOYSA-N 0 0 324.352 0.754 10 0 DCAERN CCCCOCCNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105899077 520766566 /nfs/dbraw/zinc/76/65/66/520766566.db2.gz UQWXMVUUUXAGMN-AWEZNQCLSA-N 0 0 309.414 0.848 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742159 534527132 /nfs/dbraw/zinc/52/71/32/534527132.db2.gz ZZDRVJNISXQXSN-CQSZACIVSA-N 0 0 309.410 0.322 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000119723458 521199428 /nfs/dbraw/zinc/19/94/28/521199428.db2.gz MTORCHNWXNPWEW-NSHDSACASA-N 0 0 306.370 0.675 10 0 DCAERN CCCc1ccccc1NC(=O)C(=O)N1CC(NC(C)=O)C1 ZINC000191339766 521432429 /nfs/dbraw/zinc/43/24/29/521432429.db2.gz ZTQZHCUUKXVVRW-UHFFFAOYSA-N 0 0 303.362 0.925 10 0 DCAERN CCCc1noc(CCCC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000157351953 521578610 /nfs/dbraw/zinc/57/86/10/521578610.db2.gz ZMQACEDFVYACHH-MNOVXSKESA-N 0 0 324.381 0.446 10 0 DCAERN CCOC(C)(C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000188643687 521627001 /nfs/dbraw/zinc/62/70/01/521627001.db2.gz ZCORVQIFSYKDQB-UHFFFAOYSA-N 0 0 300.380 0.879 10 0 DCAERN CCN1CCC[C@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)C1 ZINC000246389178 521645460 /nfs/dbraw/zinc/64/54/60/521645460.db2.gz OEXCXNWFCJZWEI-NEPJUHHUSA-N 0 0 305.444 0.593 10 0 DCAERN CCCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1C ZINC000157557678 521665357 /nfs/dbraw/zinc/66/53/57/521665357.db2.gz UJRIVTIUYGNFHD-BXKDBHETSA-N 0 0 308.382 0.625 10 0 DCAERN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000267589325 521712790 /nfs/dbraw/zinc/71/27/90/521712790.db2.gz KPHPKXHNAUTVAX-CMPLNLGQSA-N 0 0 308.382 0.288 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245724184 521741480 /nfs/dbraw/zinc/74/14/80/521741480.db2.gz IAQRWCTYUDDFKO-MNOVXSKESA-N 0 0 320.384 0.882 10 0 DCAERN CC[C@H](C)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000131608232 521750063 /nfs/dbraw/zinc/75/00/63/521750063.db2.gz UMBWCHIULDGQOD-JTQLQIEISA-N 0 0 300.380 0.765 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)CCOC)nc1 ZINC000191259027 521752608 /nfs/dbraw/zinc/75/26/08/521752608.db2.gz GSEDKQBAPXQJTH-CQSZACIVSA-N 0 0 306.410 0.875 10 0 DCAERN COCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000128403185 521761612 /nfs/dbraw/zinc/76/16/12/521761612.db2.gz DMCMXCGZLWVIDK-GFCCVEGCSA-N 0 0 314.411 0.353 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCn2cc(C)cn2)cc1 ZINC000117927854 521857686 /nfs/dbraw/zinc/85/76/86/521857686.db2.gz KSNCPPZREPJTMT-UHFFFAOYSA-N 0 0 322.390 0.530 10 0 DCAERN CCc1ccccc1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249482344 521928336 /nfs/dbraw/zinc/92/83/36/521928336.db2.gz VVTOKWHDXFGYLW-ZDUSSCGKSA-N 0 0 312.435 0.936 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cccc(C(=O)NC)c2)CC1 ZINC000131476301 522205495 /nfs/dbraw/zinc/20/54/95/522205495.db2.gz ZBNVHBOETMXKFT-OAHLLOKOSA-N 0 0 319.405 0.575 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000189845552 522356398 /nfs/dbraw/zinc/35/63/98/522356398.db2.gz WJQKZIFYIQPDOB-GHMZBOCLSA-N 0 0 310.350 0.593 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000128040282 522718938 /nfs/dbraw/zinc/71/89/38/522718938.db2.gz VAUJLTJUZNEJEO-STQMWFEESA-N 0 0 324.377 0.799 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000185238590 522756671 /nfs/dbraw/zinc/75/66/71/522756671.db2.gz VOOBGWYNJVUDIL-UHFFFAOYSA-N 0 0 324.352 0.958 10 0 DCAERN CN(CCc1nccs1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000157991395 522991649 /nfs/dbraw/zinc/99/16/49/522991649.db2.gz SCOOUBJZNNITCY-NSHDSACASA-N 0 0 310.423 0.341 10 0 DCAERN COC(=O)CCCCCS(=O)(=O)NCc1ccnn1C ZINC000189409073 522996049 /nfs/dbraw/zinc/99/60/49/522996049.db2.gz CHZLLLXRHHHLGI-UHFFFAOYSA-N 0 0 303.384 0.573 10 0 DCAERN CC[C@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000366044664 523082743 /nfs/dbraw/zinc/08/27/43/523082743.db2.gz AIKXBXKNAXPFCI-RWMBFGLXSA-N 0 0 318.439 0.684 10 0 DCAERN CN(Cc1cc(Br)cn1C)C(=O)CNC(N)=O ZINC000156666306 523162806 /nfs/dbraw/zinc/16/28/06/523162806.db2.gz GLAPNQJJMYTUIS-UHFFFAOYSA-N 0 0 303.160 0.414 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000132302185 523316484 /nfs/dbraw/zinc/31/64/84/523316484.db2.gz HXAYSMSLUTYERM-FZMZJTMJSA-N 0 0 323.393 0.927 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CCn3cncn3)CCO2)cn1 ZINC000191743667 523480817 /nfs/dbraw/zinc/48/08/17/523480817.db2.gz OROYTSOJCVPPOX-CYBMUJFWSA-N 0 0 304.354 0.485 10 0 DCAERN COc1ccc(CC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)nc1 ZINC000366029325 523896105 /nfs/dbraw/zinc/89/61/05/523896105.db2.gz BPXMGYDPWITHMA-ZDUSSCGKSA-N 0 0 317.349 0.659 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC1(CO)CC1 ZINC000190016218 524249421 /nfs/dbraw/zinc/24/94/21/524249421.db2.gz QWOWMWUUUMOXEA-NSHDSACASA-N 0 0 305.378 0.817 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247434964 524324277 /nfs/dbraw/zinc/32/42/77/524324277.db2.gz WXXLCGZGHDVIBR-UTUOFQBUSA-N 0 0 310.398 0.341 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000190437747 524544406 /nfs/dbraw/zinc/54/44/06/524544406.db2.gz FLWOWDZAGYGFMX-MNOVXSKESA-N 0 0 314.357 0.591 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NCC3(C)OCCCO3)nc2n1 ZINC000191086217 524566426 /nfs/dbraw/zinc/56/64/26/524566426.db2.gz LBAHDMVBTUGROZ-UHFFFAOYSA-N 0 0 305.338 0.624 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CCN(Cc2ccon2)CC1 ZINC000173948829 534800024 /nfs/dbraw/zinc/80/00/24/534800024.db2.gz HOHQGNBXHYPGLP-ZDUSSCGKSA-N 0 0 321.381 0.171 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000265909228 524736420 /nfs/dbraw/zinc/73/64/20/524736420.db2.gz YCAWYACQGLYRIE-YUMQZZPRSA-N 0 0 304.393 0.645 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2ccccn2)CCS1(=O)=O ZINC000121828119 524790124 /nfs/dbraw/zinc/79/01/24/524790124.db2.gz SQIYHJDXFUMEBF-LLVKDONJSA-N 0 0 314.432 0.960 10 0 DCAERN COc1ccnc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)n1 ZINC000191482204 524841845 /nfs/dbraw/zinc/84/18/45/524841845.db2.gz KNIVXVKNUNISLK-AWEZNQCLSA-N 0 0 321.425 0.328 10 0 DCAERN COc1ccnc(N2CCN(Cc3ccnc(N)c3)CC2)n1 ZINC000191482167 524843807 /nfs/dbraw/zinc/84/38/07/524843807.db2.gz MWLCCQOGKBLZPY-UHFFFAOYSA-N 0 0 300.366 0.785 10 0 DCAERN C[C@H]1Sc2ccc(C(=O)N3CCO[C@@H](CO)C3)cc2NC1=O ZINC000269121708 525076193 /nfs/dbraw/zinc/07/61/93/525076193.db2.gz HTFFKLDTYNMQDW-MWLCHTKSSA-N 0 0 322.386 0.953 10 0 DCAERN C[C@@H](NC(=O)CN1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870085 525103941 /nfs/dbraw/zinc/10/39/41/525103941.db2.gz JIMRKLAOLGKPAS-VXGBXAGGSA-N 0 0 324.450 0.915 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@@H]1CCOC(C)(C)C1)c2=O ZINC000153683646 534838189 /nfs/dbraw/zinc/83/81/89/534838189.db2.gz GMWBFTGSEUMDAT-SNVBAGLBSA-N 0 0 319.365 0.204 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2cccc(F)c2)C1 ZINC000116940820 525208286 /nfs/dbraw/zinc/20/82/86/525208286.db2.gz KIOQLEYTYXXHLO-GFCCVEGCSA-N 0 0 315.370 0.659 10 0 DCAERN Cc1ccccc1OC[C@@H](O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155415709 525308778 /nfs/dbraw/zinc/30/87/78/525308778.db2.gz PBYRRCLRYBHVAH-KGLIPLIRSA-N 0 0 313.419 0.854 10 0 DCAERN C[S@@](=O)CCC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000154840705 525362804 /nfs/dbraw/zinc/36/28/04/525362804.db2.gz ZCCDQWINAXMWSI-RBZFPXEDSA-N 0 0 320.480 0.079 10 0 DCAERN Cc1cc(S(=O)(=O)N(C)CC(C)(CO)CO)c(C)s1 ZINC000128852949 525390634 /nfs/dbraw/zinc/39/06/34/525390634.db2.gz KVJNOXQHAVITTG-UHFFFAOYSA-N 0 0 307.437 0.976 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000188978845 525559325 /nfs/dbraw/zinc/55/93/25/525559325.db2.gz WEKITUULZNFUIF-WCQYABFASA-N 0 0 306.366 0.410 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000126873390 525765244 /nfs/dbraw/zinc/76/52/44/525765244.db2.gz AZRQEVJVWQMSGX-LLVKDONJSA-N 0 0 302.334 0.698 10 0 DCAERN Cc1ccc([C@@H]2CN(CC(=O)N[C@@H](C)C(=O)N(C)C)CCO2)o1 ZINC000159045477 525837119 /nfs/dbraw/zinc/83/71/19/525837119.db2.gz CORWVJLANCXAPO-JSGCOSHPSA-N 0 0 323.393 0.554 10 0 DCAERN Cc1cnc(CCN(C)C(=O)NCCN2CCOCC2)s1 ZINC000162645886 525991833 /nfs/dbraw/zinc/99/18/33/525991833.db2.gz JBNGULNBKYEQQQ-UHFFFAOYSA-N 0 0 312.439 0.968 10 0 DCAERN Cc1cnc(CCN(C)CC(=O)NCC(=O)N2CCCC2)s1 ZINC000157820038 525993190 /nfs/dbraw/zinc/99/31/90/525993190.db2.gz SCJPKWSQKOTWPI-UHFFFAOYSA-N 0 0 324.450 0.664 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000268318578 526206928 /nfs/dbraw/zinc/20/69/28/526206928.db2.gz YXKSPTPXRAIZKZ-MRVPVSSYSA-N 0 0 304.306 0.370 10 0 DCAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccco3)CCO2)c1 ZINC000188685088 526265069 /nfs/dbraw/zinc/26/50/69/526265069.db2.gz XDJOKQWNEGXNKN-LBPRGKRZSA-N 0 0 311.363 0.874 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCCOCC(F)F ZINC000191181841 526331923 /nfs/dbraw/zinc/33/19/23/526331923.db2.gz DCOXUKGSOHAFPJ-UHFFFAOYSA-N 0 0 315.320 0.997 10 0 DCAERN O=C(NCCNc1nccc(C(F)(F)F)n1)N1CC(CO)C1 ZINC000189150615 526341719 /nfs/dbraw/zinc/34/17/19/526341719.db2.gz XJDARRKUTWSSMX-UHFFFAOYSA-N 0 0 319.287 0.541 10 0 DCAERN O=C(NCCOCC(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000190280342 526350487 /nfs/dbraw/zinc/35/04/87/526350487.db2.gz UMEQQJVBROIKLP-SNVBAGLBSA-N 0 0 303.313 0.906 10 0 DCAERN O=C(CCNC(=O)c1cnn2c1CCCC2)N1CCOCC1 ZINC000127343215 526510561 /nfs/dbraw/zinc/51/05/61/526510561.db2.gz DATFDKHDIKTFKS-UHFFFAOYSA-N 0 0 306.366 0.198 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000176274091 526569356 /nfs/dbraw/zinc/56/93/56/526569356.db2.gz QEJSUAFGSFUANG-KGLIPLIRSA-N 0 0 315.377 0.668 10 0 DCAERN Cc1noc(CCC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000154026994 526595535 /nfs/dbraw/zinc/59/55/35/526595535.db2.gz VMZKSGFUBWTGDQ-LBPRGKRZSA-N 0 0 318.381 0.829 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000189962286 526706940 /nfs/dbraw/zinc/70/69/40/526706940.db2.gz KBENMZWFTGKGOI-UHFFFAOYSA-N 0 0 310.398 0.309 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000366174566 526791757 /nfs/dbraw/zinc/79/17/57/526791757.db2.gz YYIJYHUHQANWEB-KRWDZBQOSA-N 0 0 316.357 0.503 10 0 DCAERN NC(=O)NCc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000364724459 526937788 /nfs/dbraw/zinc/93/77/88/526937788.db2.gz XJYZDZHYVHDSSN-AWEZNQCLSA-N 0 0 318.377 0.012 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000119976079 527039298 /nfs/dbraw/zinc/03/92/98/527039298.db2.gz ZDFCYBVYYZDPOG-LRDDRELGSA-N 0 0 303.362 0.948 10 0 DCAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N1CCC[C@@H]1CO ZINC000121219290 527150622 /nfs/dbraw/zinc/15/06/22/527150622.db2.gz SBDOTBSIYXIGOG-GFCCVEGCSA-N 0 0 315.333 0.189 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000126592840 527193968 /nfs/dbraw/zinc/19/39/68/527193968.db2.gz HSQBKXCDPUUBCU-NSHDSACASA-N 0 0 300.366 0.864 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000190142703 527366531 /nfs/dbraw/zinc/36/65/31/527366531.db2.gz NLGSJSAAYKXHCU-LLVKDONJSA-N 0 0 302.338 0.836 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188748974 527371344 /nfs/dbraw/zinc/37/13/44/527371344.db2.gz YEGWMONRFFCWRA-CYBMUJFWSA-N 0 0 320.389 0.793 10 0 DCAERN O=C(Cn1cccn1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159163533 527387509 /nfs/dbraw/zinc/38/75/09/527387509.db2.gz JOYSWXYABIJESJ-CHWSQXEVSA-N 0 0 305.334 0.827 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000174780543 527473233 /nfs/dbraw/zinc/47/32/33/527473233.db2.gz FHALYHJATNTJDA-QWHCGFSZSA-N 0 0 309.410 0.747 10 0 DCAERN CC(C)C1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000176040537 527605290 /nfs/dbraw/zinc/60/52/90/527605290.db2.gz CQNLHAYCAGOGQC-NSHDSACASA-N 0 0 303.428 0.756 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)CCN1CCCS1(=O)=O ZINC000174476678 527860862 /nfs/dbraw/zinc/86/08/62/527860862.db2.gz ZEPRYSNBTSWQJL-AWEZNQCLSA-N 0 0 320.455 0.715 10 0 DCAERN CC1(C)c2ccc(C(=O)N3CC[C@@H](NC(N)=O)C3)cc2NC1=O ZINC000294743596 527896793 /nfs/dbraw/zinc/89/67/93/527896793.db2.gz YNUIVNQLXRFXAM-SNVBAGLBSA-N 0 0 316.361 0.799 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000176593412 528053064 /nfs/dbraw/zinc/05/30/64/528053064.db2.gz OEVFRTONCJUMCG-KBPBESRZSA-N 0 0 309.410 0.714 10 0 DCAERN CC(C)Oc1nccnc1NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000302148164 528289343 /nfs/dbraw/zinc/28/93/43/528289343.db2.gz KJQPPRLZYXZBJC-NSHDSACASA-N 0 0 314.411 0.957 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000183762452 528331021 /nfs/dbraw/zinc/33/10/21/528331021.db2.gz CZVVTVPCWUIOSB-UHFFFAOYSA-N 0 0 317.455 0.763 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000163657586 528679719 /nfs/dbraw/zinc/67/97/19/528679719.db2.gz DCXDBTMRTMZJLR-QWRGUYRKSA-N 0 0 321.381 0.515 10 0 DCAERN CCCc1noc(CCCC(=O)N2CCN(CCO)[C@H](C)C2)n1 ZINC000188786849 528782778 /nfs/dbraw/zinc/78/27/78/528782778.db2.gz BQDNTLMSEYXEND-CYBMUJFWSA-N 0 0 324.425 0.870 10 0 DCAERN CCN1CCN(Cc2csc(CC(=O)NC)n2)C(C)(C)C1=O ZINC000186517997 529150055 /nfs/dbraw/zinc/15/00/55/529150055.db2.gz VWWIYOMTCTWKPC-UHFFFAOYSA-N 0 0 324.450 0.874 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccn(C)n2)CC12COC2 ZINC000454737885 535667971 /nfs/dbraw/zinc/66/79/71/535667971.db2.gz MJQSWQHYGOSIEY-GFCCVEGCSA-N 0 0 322.365 0.141 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCC(C)(C)OC)CC12COC2 ZINC000454573579 535668786 /nfs/dbraw/zinc/66/87/86/535668786.db2.gz WDFJHZZVPVUEJY-LLVKDONJSA-N 0 0 314.382 0.633 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000457625358 536879722 /nfs/dbraw/zinc/87/97/22/536879722.db2.gz HXBSCXLYAWLHOL-ZDUSSCGKSA-N 0 0 317.345 0.631 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000457669575 536882351 /nfs/dbraw/zinc/88/23/51/536882351.db2.gz XNIULDRJFCTIOQ-CHWSQXEVSA-N 0 0 320.345 0.544 10 0 DCAERN CC(=O)NCCCNS(=O)(=O)CCc1ccccc1F ZINC000040669013 545647638 /nfs/dbraw/zinc/64/76/38/545647638.db2.gz VLSUGVQQWQJIDY-UHFFFAOYSA-N 0 0 302.371 0.814 10 0 DCAERN C[NH2+][C@@](C)(CCn1cc(I)cn1)C(=O)[O-] ZINC000070678654 545661647 /nfs/dbraw/zinc/66/16/47/545661647.db2.gz CEPAYHCVLYCWKD-VIFPVBQESA-N 0 0 323.134 0.941 10 0 DCAERN C[NH2+][C@](C)(Cn1cc(I)cn1)C(=O)[O-] ZINC000070678594 545661529 /nfs/dbraw/zinc/66/15/29/545661529.db2.gz DQMHVQFQAPVWCT-MRVPVSSYSA-N 0 0 309.107 0.550 10 0 DCAERN COc1cccc(C(=O)NCC(C)(C)S(C)(=O)=O)c1O ZINC000093534774 545728130 /nfs/dbraw/zinc/72/81/30/545728130.db2.gz ZGGRCIMTXCPENR-UHFFFAOYSA-N 0 0 301.364 0.954 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000119422596 545738116 /nfs/dbraw/zinc/73/81/16/545738116.db2.gz IVUPSRWZVLBKMH-YPMHNXCESA-N 0 0 318.439 0.589 10 0 DCAERN NC(=O)C1(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000119551531 545739436 /nfs/dbraw/zinc/73/94/36/545739436.db2.gz HJFKXNUQBXEIKS-QWRGUYRKSA-N 0 0 302.330 0.695 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000121263554 545747383 /nfs/dbraw/zinc/74/73/83/545747383.db2.gz VLDASZVYBHUVSU-WOPDTQHZSA-N 0 0 304.412 0.519 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000121918240 545749478 /nfs/dbraw/zinc/74/94/78/545749478.db2.gz SQMCZHDYFLIDJW-KBPBESRZSA-N 0 0 318.439 0.292 10 0 DCAERN Cc1c(C(=O)N2CCOC[C@H]2C2CC2)cccc1S(N)(=O)=O ZINC000128440332 545780250 /nfs/dbraw/zinc/78/02/50/545780250.db2.gz UGOXXZKCAHJBHM-ZDUSSCGKSA-N 0 0 324.402 0.893 10 0 DCAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130728056 545788689 /nfs/dbraw/zinc/78/86/89/545788689.db2.gz GFMVJWKOCDBJPL-YPMHNXCESA-N 0 0 318.377 0.960 10 0 DCAERN O=C(CC[C@H]1CCCCO1)NC[C@H](O)CN1CCOCC1 ZINC000132359004 545792818 /nfs/dbraw/zinc/79/28/18/545792818.db2.gz RQRYIAWGVAAIND-UONOGXRCSA-N 0 0 300.399 0.145 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)CNS(=O)(=O)CC ZINC000151573190 545819004 /nfs/dbraw/zinc/81/90/04/545819004.db2.gz NJWOETBPSGZNJE-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000154991008 545841700 /nfs/dbraw/zinc/84/17/00/545841700.db2.gz GTVNXESTXJKISY-LBPRGKRZSA-N 0 0 304.350 0.930 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc(C)n1 ZINC000155124744 545844132 /nfs/dbraw/zinc/84/41/32/545844132.db2.gz MQDILZWTQJSJTQ-SNVBAGLBSA-N 0 0 302.338 0.788 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC2(CO)CCCCC2)C[C@H](C)O1 ZINC000157664060 545853334 /nfs/dbraw/zinc/85/33/34/545853334.db2.gz XOGRSXUPDLECBF-STQMWFEESA-N 0 0 320.455 0.873 10 0 DCAERN O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1COCCN1 ZINC000164704374 545876824 /nfs/dbraw/zinc/87/68/24/545876824.db2.gz JPNUGLXRKXQYIJ-JTQLQIEISA-N 0 0 319.283 0.627 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@H]1Cc2ccccc21 ZINC000174061871 545884702 /nfs/dbraw/zinc/88/47/02/545884702.db2.gz WCPACEJUBZNGGJ-LLVKDONJSA-N 0 0 301.346 0.773 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 ZINC000176099882 545888474 /nfs/dbraw/zinc/88/84/74/545888474.db2.gz HOTLXXVWTBBSGP-QMTHXVAHSA-N 0 0 304.346 0.809 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)n1 ZINC000178781692 545896772 /nfs/dbraw/zinc/89/67/72/545896772.db2.gz DRIVBASYIUVHHY-AWEZNQCLSA-N 0 0 306.410 0.999 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000179067550 545897977 /nfs/dbraw/zinc/89/79/77/545897977.db2.gz ILIZVKWKEIDALA-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)NCC(=O)N2CCOCC2)c1 ZINC000181064161 545902078 /nfs/dbraw/zinc/90/20/78/545902078.db2.gz BIWXBRGKFDAXTB-HUUCEWRRSA-N 0 0 318.373 0.774 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)NCCCn3ccnn3)C2)n1 ZINC000183519427 545908344 /nfs/dbraw/zinc/90/83/44/545908344.db2.gz OBOPMHQKMGNQEJ-GFCCVEGCSA-N 0 0 319.369 0.949 10 0 DCAERN CCN1CCCN(C(=O)NCCCN2CCCC2=O)CC1=O ZINC000188402689 545917178 /nfs/dbraw/zinc/91/71/78/545917178.db2.gz AKKOSAXOWQFHAK-UHFFFAOYSA-N 0 0 310.398 0.263 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188456228 545917421 /nfs/dbraw/zinc/91/74/21/545917421.db2.gz LFWNSKJFCHGMAR-NSHDSACASA-N 0 0 308.407 0.925 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccnc1N1CCOCC1 ZINC000189233773 545920938 /nfs/dbraw/zinc/92/09/38/545920938.db2.gz GGFQAQJODADQSE-GFCCVEGCSA-N 0 0 318.377 0.269 10 0 DCAERN Cc1cc(COCC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)on1 ZINC000193762424 545931247 /nfs/dbraw/zinc/93/12/47/545931247.db2.gz JZOARKYJTJFRBD-UONOGXRCSA-N 0 0 310.350 0.906 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)CN2C)C1 ZINC000328976437 546041958 /nfs/dbraw/zinc/04/19/58/546041958.db2.gz CZNAIRSOLKHTFT-RNJOBUHISA-N 0 0 324.381 0.386 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)[C@H](C)C1=O ZINC000329597822 546051807 /nfs/dbraw/zinc/05/18/07/546051807.db2.gz WHBJXOHEGZCXRK-LXTVHRRPSA-N 0 0 324.421 0.753 10 0 DCAERN CC(=O)N1CC[C@H](Nc2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000330354239 546057506 /nfs/dbraw/zinc/05/75/06/546057506.db2.gz PJLTZAIBYISCQL-ZDUSSCGKSA-N 0 0 317.393 1.182 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)CN1CCCC1=O ZINC000332760287 546059464 /nfs/dbraw/zinc/05/94/64/546059464.db2.gz ZBTZTXAMHSAJHR-QWRGUYRKSA-N 0 0 313.423 0.425 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCCN1CCOC[C@@H]1C ZINC000332787900 546060409 /nfs/dbraw/zinc/06/04/09/546060409.db2.gz OQBNQDNLFNTJHY-RYUDHWBXSA-N 0 0 315.439 0.135 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@@H](C)[C@H]2CCCO2)n1 ZINC000332934418 546066403 /nfs/dbraw/zinc/06/64/03/546066403.db2.gz KQMMNKSPGWOKAT-JTLRNRKASA-N 0 0 310.354 0.763 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000332964770 546067398 /nfs/dbraw/zinc/06/73/98/546067398.db2.gz JKQCBPPQUZNYHI-CHWSQXEVSA-N 0 0 316.467 0.761 10 0 DCAERN CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332963495 546067432 /nfs/dbraw/zinc/06/74/32/546067432.db2.gz OZYKTMRTBWCGHX-UXLLHSPISA-N 0 0 324.469 0.569 10 0 DCAERN O=C(NCc1nc[nH]n1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000333323458 546078121 /nfs/dbraw/zinc/07/81/21/546078121.db2.gz QDMIFFKINSPWCF-LURJTMIESA-N 0 0 314.271 0.968 10 0 DCAERN C[C@@]12CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333530549 546084088 /nfs/dbraw/zinc/08/40/88/546084088.db2.gz PYYZDZWNAQWHSX-YRORDHRNSA-N 0 0 305.378 0.823 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2cc(F)cc(F)c2)CCN1 ZINC000396710610 546223211 /nfs/dbraw/zinc/22/32/11/546223211.db2.gz NRVYNQLEFLQWFD-JTQLQIEISA-N 0 0 304.318 0.912 10 0 DCAERN O=C(CCc1c[nH]cn1)NCc1cccc(N2CCOCC2)n1 ZINC000530297105 546288539 /nfs/dbraw/zinc/28/85/39/546288539.db2.gz KVRMKYXXXDPSEC-UHFFFAOYSA-N 0 0 315.377 0.890 10 0 DCAERN CCOc1ncccc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671604636 547265765 /nfs/dbraw/zinc/26/57/65/547265765.db2.gz DGBKYPZEBBXMTP-OAHLLOKOSA-N 0 0 317.349 0.349 10 0 DCAERN O=C(N1CC[C@](O)(Cn2ccnn2)C1)C1(c2ccccc2)CC1 ZINC000671605254 547265876 /nfs/dbraw/zinc/26/58/76/547265876.db2.gz WYGNVBTZQPZFJW-MRXNPFEDSA-N 0 0 312.373 0.973 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000709830765 667445623 /nfs/dbraw/zinc/44/56/23/667445623.db2.gz CZYWCDPFKMHYKB-JGVFFNPUSA-N 0 0 313.301 0.509 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)Cc2cncn2C)n1 ZINC000526062995 660717183 /nfs/dbraw/zinc/71/71/83/660717183.db2.gz NNCCZKQDNQOYCM-UHFFFAOYSA-N 0 0 322.390 0.955 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000036131168 661111207 /nfs/dbraw/zinc/11/12/07/661111207.db2.gz KQUNWYAFRJHGMD-GFCCVEGCSA-N 0 0 311.407 0.819 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501530 661281845 /nfs/dbraw/zinc/28/18/45/661281845.db2.gz QUYZLRPXYQQXQN-WDEREUQCSA-N 0 0 322.427 0.950 10 0 DCAERN COc1nn(C)cc1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000238874925 665495544 /nfs/dbraw/zinc/49/55/44/665495544.db2.gz NUOKRPGKDGJOOH-UHFFFAOYSA-N 0 0 301.346 0.688 10 0 DCAERN Cc1ncsc1COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255384270 657623629 /nfs/dbraw/zinc/62/36/29/657623629.db2.gz GZBMLVBYTIZHKL-PLNGDYQASA-N 0 0 321.358 0.606 10 0 DCAERN CNC(=O)CCCN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000254926965 657839447 /nfs/dbraw/zinc/83/94/47/657839447.db2.gz QSPFFVUFZHUCQF-GFCCVEGCSA-N 0 0 321.425 0.673 10 0 DCAERN CN1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046382 657918406 /nfs/dbraw/zinc/91/84/06/657918406.db2.gz CKERKODTGWSQJP-BDAKNGLRSA-N 0 0 306.275 0.543 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCCSC(F)(F)F ZINC000725006408 658019474 /nfs/dbraw/zinc/01/94/74/658019474.db2.gz QCQOLOYTLAYFKW-SSDOTTSWSA-N 0 0 320.358 0.132 10 0 DCAERN CCC[C@H](OC)c1noc(C[C@H]2CNCCS2(=O)=O)n1 ZINC000725016372 658020719 /nfs/dbraw/zinc/02/07/19/658020719.db2.gz PWXJZWKXHWHAMX-UWVGGRQHSA-N 0 0 303.384 0.486 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OC ZINC000724193149 658044130 /nfs/dbraw/zinc/04/41/30/658044130.db2.gz NMHQSMJWKMCLSC-JGVFFNPUSA-N 0 0 320.392 0.728 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccccc1F ZINC000725060403 658094932 /nfs/dbraw/zinc/09/49/32/658094932.db2.gz KLVSRAWDDHIVMS-NSHDSACASA-N 0 0 300.355 0.219 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000725108878 658141561 /nfs/dbraw/zinc/14/15/61/658141561.db2.gz GTQILEJUMMMVPN-DTORHVGOSA-N 0 0 314.388 0.258 10 0 DCAERN CCO[C@H](C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000176861808 658156332 /nfs/dbraw/zinc/15/63/32/658156332.db2.gz BCTNKFLHXPHYMN-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000077138699 658198903 /nfs/dbraw/zinc/19/89/03/658198903.db2.gz ROMUKBDZLWFHQI-QWRGUYRKSA-N 0 0 312.391 0.892 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000158387547 658453308 /nfs/dbraw/zinc/45/33/08/658453308.db2.gz OYFJFKKZURBXBL-ZDUSSCGKSA-N 0 0 323.397 0.021 10 0 DCAERN N[C@H](CS(=O)(=O)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000757150978 658582393 /nfs/dbraw/zinc/58/23/93/658582393.db2.gz LQVVSJFJJXJOCJ-ZCFIWIBFSA-N 0 0 312.260 0.173 10 0 DCAERN CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc(F)cc1N ZINC000090925583 658597831 /nfs/dbraw/zinc/59/78/31/658597831.db2.gz LBCZOHZEKDAVGW-NSHDSACASA-N 0 0 318.395 0.968 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1)C(F)(F)F ZINC000177106780 658649326 /nfs/dbraw/zinc/64/93/26/658649326.db2.gz YTXGKFGHXBZJBO-YUMQZZPRSA-N 0 0 311.329 0.906 10 0 DCAERN COCC[C@H](COC)NC(=O)c1csc(C(=O)OC)n1 ZINC000721427287 658687681 /nfs/dbraw/zinc/68/76/81/658687681.db2.gz NWGKJIJBSMGNSP-MRVPVSSYSA-N 0 0 302.352 0.711 10 0 DCAERN COc1nccnc1CN1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000888078312 658726071 /nfs/dbraw/zinc/72/60/71/658726071.db2.gz IJBYWMAKFMGPCN-GXFFZTMASA-N 0 0 304.354 0.228 10 0 DCAERN CCn1nc(C)c(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078338 658726714 /nfs/dbraw/zinc/72/67/14/658726714.db2.gz KIUDHFXOFYRDLD-SMDDNHRTSA-N 0 0 305.386 0.349 10 0 DCAERN O=C(/C=C/c1cccnc1)NCCCN1CCCS1(=O)=O ZINC000725761706 658774017 /nfs/dbraw/zinc/77/40/17/658774017.db2.gz TVHLTCWUEFDATF-AATRIKPKSA-N 0 0 309.391 0.637 10 0 DCAERN COC[C@@H](C)COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000185703706 659255855 /nfs/dbraw/zinc/25/58/55/659255855.db2.gz CNTCPIRBUJVMFE-SNVBAGLBSA-N 0 0 306.318 0.516 10 0 DCAERN Cc1nc([C@@H]2CCCN2CN2C(=O)C(=O)N(C)C2=O)cs1 ZINC000186856402 659287291 /nfs/dbraw/zinc/28/72/91/659287291.db2.gz ZOZRZHVRYPHFBN-JTQLQIEISA-N 0 0 308.363 0.967 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2cnc(Br)cn2)C1 ZINC000310275591 659301555 /nfs/dbraw/zinc/30/15/55/659301555.db2.gz JMVQDKUYIQLFRG-SNVBAGLBSA-N 0 0 301.144 0.056 10 0 DCAERN O=C(NCCCN1CCOC1=O)c1ccn(CC(F)F)n1 ZINC000194024968 659474073 /nfs/dbraw/zinc/47/40/73/659474073.db2.gz FMJDNJYTDOUMSI-UHFFFAOYSA-N 0 0 302.281 0.720 10 0 DCAERN CCOC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000725912428 659508138 /nfs/dbraw/zinc/50/81/38/659508138.db2.gz UDESFFNGYORSGL-SECBINFHSA-N 0 0 315.347 0.703 10 0 DCAERN O=C(OCCNc1ncccn1)[C@@H]1COCCN1CC(F)F ZINC000194921726 659522973 /nfs/dbraw/zinc/52/29/73/659522973.db2.gz IJLQRVWKPQMFMN-JTQLQIEISA-N 0 0 316.308 0.398 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)[nH]1 ZINC000333136528 659771261 /nfs/dbraw/zinc/77/12/61/659771261.db2.gz JLWAQNSYXWQTRR-WDEREUQCSA-N 0 0 317.393 0.793 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C)C1 ZINC000333129214 659771374 /nfs/dbraw/zinc/77/13/74/659771374.db2.gz JJEQYMRWZGTULP-NMWPEEMBSA-N 0 0 324.421 0.897 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@H]1C ZINC000095017209 661317863 /nfs/dbraw/zinc/31/78/63/661317863.db2.gz DSBTYFGDRDGPPZ-SCZZXKLOSA-N 0 0 316.354 0.838 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)no1 ZINC000261658395 661354867 /nfs/dbraw/zinc/35/48/67/661354867.db2.gz GSBABTRKIAVXNV-UHFFFAOYSA-N 0 0 319.340 0.625 10 0 DCAERN COC(=O)[C@@H](O)CNS(=O)(=O)c1c(C)sc(C)c1C ZINC000722573133 661414901 /nfs/dbraw/zinc/41/49/01/661414901.db2.gz QDMDARNPAOUXAQ-VIFPVBQESA-N 0 0 307.393 0.486 10 0 DCAERN CC(C)/C=C\C(=O)N1CCC[C@H](CNS(=O)(=O)N(C)C)C1 ZINC000056635817 665761010 /nfs/dbraw/zinc/76/10/10/665761010.db2.gz VAHAOMMYTLGHMH-MEJMFZKBSA-N 0 0 317.455 0.833 10 0 DCAERN COC(=O)N1CCC[C@H](NC(=O)c2cn3cccnc3n2)C1 ZINC000726558938 661660375 /nfs/dbraw/zinc/66/03/75/661660375.db2.gz ZKVMHIVHODOOHZ-JTQLQIEISA-N 0 0 303.322 0.690 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCNC[C@@H]1c1cccnc1 ZINC000261828697 661732758 /nfs/dbraw/zinc/73/27/58/661732758.db2.gz YMPKCBSHIDQIQB-ZIAGYGMSSA-N 0 0 311.407 0.537 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2noc(CN)n2)c2ccccc2O1 ZINC000262041288 661978914 /nfs/dbraw/zinc/97/89/14/661978914.db2.gz HQPBZNPRKAAEHV-LLVKDONJSA-N 0 0 303.322 0.042 10 0 DCAERN COc1ccc(OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000054188531 662099376 /nfs/dbraw/zinc/09/93/76/662099376.db2.gz SWAWAIDPVSEWLN-RUDMXATFSA-N 0 0 316.313 0.711 10 0 DCAERN O=C(Nc1cccc(C(=O)OCCOCCO)c1)[C@H]1CCCO1 ZINC000740199104 662100731 /nfs/dbraw/zinc/10/07/31/662100731.db2.gz MDFBXJZXJIQWSE-CQSZACIVSA-N 0 0 323.345 0.970 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCC(=O)Nc1cccnc1 ZINC000727171499 662143956 /nfs/dbraw/zinc/14/39/56/662143956.db2.gz UONAIEUNRZOANX-LBPRGKRZSA-N 0 0 322.390 0.448 10 0 DCAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC(F)(F)CN1 ZINC000263021806 662617794 /nfs/dbraw/zinc/61/77/94/662617794.db2.gz QZOWVVYBDZPFAL-NSHDSACASA-N 0 0 307.304 0.881 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263086871 662627056 /nfs/dbraw/zinc/62/70/56/662627056.db2.gz YBJWEQZEBPTAQK-MNOVXSKESA-N 0 0 311.336 0.559 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000193219175 662819863 /nfs/dbraw/zinc/81/98/63/662819863.db2.gz DCTZQNNRQKJJRC-WCQYABFASA-N 0 0 306.362 0.713 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000127700310 662841818 /nfs/dbraw/zinc/84/18/18/662841818.db2.gz SYMMLLBRVARHLF-UHFFFAOYSA-N 0 0 323.802 0.954 10 0 DCAERN CC(C)[C@@H](OC(=O)COc1ccc(C(N)=O)cc1)C(=O)N(C)C ZINC000729709318 662907594 /nfs/dbraw/zinc/90/75/94/662907594.db2.gz RWZAUNVJTQOOIT-CQSZACIVSA-N 0 0 322.361 0.820 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000344884258 663079629 /nfs/dbraw/zinc/07/96/29/663079629.db2.gz NNTIOZZDUFPCAR-ZJUUUORDSA-N 0 0 300.380 0.370 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](C)[C@H](C)O ZINC000344957663 663081577 /nfs/dbraw/zinc/08/15/77/663081577.db2.gz UCFZUVGSHWWCNF-YUMQZZPRSA-N 0 0 305.327 0.660 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000075526316 663084251 /nfs/dbraw/zinc/08/42/51/663084251.db2.gz JVCVKEPLQBITEE-KOLCDFICSA-N 0 0 307.375 0.592 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435461297 663198130 /nfs/dbraw/zinc/19/81/30/663198130.db2.gz WCTMCVPGJMZNRM-QMMMGPOBSA-N 0 0 310.379 0.819 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC(c3nccs3)CC2)C1=O ZINC000900510709 663251368 /nfs/dbraw/zinc/25/13/68/663251368.db2.gz GJWDNDZLWYBLJS-NSHDSACASA-N 0 0 309.391 0.706 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)n(C)c1=O ZINC000900608804 663260656 /nfs/dbraw/zinc/26/06/56/663260656.db2.gz XQUBFLRELAAJIF-GFCCVEGCSA-N 0 0 300.362 0.733 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ccccc3)C2)C1=O ZINC000900607646 663260763 /nfs/dbraw/zinc/26/07/63/663260763.db2.gz MJTAXAKJFXLIBL-GXTWGEPZSA-N 0 0 303.362 0.239 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000900869794 663291581 /nfs/dbraw/zinc/29/15/81/663291581.db2.gz GJHSCPGQWXHZPC-TZMCWYRMSA-N 0 0 306.362 0.565 10 0 DCAERN CC(C)(O)[C@H](O)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000901247877 663333285 /nfs/dbraw/zinc/33/32/85/663333285.db2.gz YFJIOXMNBRXTEA-TVYUQYBPSA-N 0 0 315.316 0.731 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@H](O)COCC2CC2)[nH]1 ZINC000436179707 663432317 /nfs/dbraw/zinc/43/23/17/663432317.db2.gz AFMACMTVGDGDAQ-NSHDSACASA-N 0 0 304.350 0.784 10 0 DCAERN C/C=C\[C@H](O)C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000908315409 663748467 /nfs/dbraw/zinc/74/84/67/663748467.db2.gz YXJLGHHYVBCMAL-DQOJRVPBSA-N 0 0 301.350 0.679 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc(Cl)nc1 ZINC000149626363 663760739 /nfs/dbraw/zinc/76/07/39/663760739.db2.gz VVGZDWVOFBBOAI-VIFPVBQESA-N 0 0 303.771 0.450 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)CC1=O ZINC000909159706 663782575 /nfs/dbraw/zinc/78/25/75/663782575.db2.gz OZVYZBGGEXJBEV-BYNQJWBRSA-N 0 0 320.393 0.321 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cc(C(F)(F)F)n[nH]1 ZINC000909187304 663784607 /nfs/dbraw/zinc/78/46/07/663784607.db2.gz SWGJHAPMOZFMCM-KDILMLJESA-N 0 0 315.255 0.729 10 0 DCAERN C[C@H]1CN(C)C[C@@H](C(=O)Nc2cncnc2-n2cccn2)O1 ZINC000911971498 664128751 /nfs/dbraw/zinc/12/87/51/664128751.db2.gz YAQKFOOEXFARQH-JQWIXIFHSA-N 0 0 302.338 0.320 10 0 DCAERN COc1cc(C(=O)N2CCOC[C@@H]2CO)cc2c1O[C@H](C)C2 ZINC000912425968 664174818 /nfs/dbraw/zinc/17/48/18/664174818.db2.gz AGMZMEIJZJJLPT-MFKMUULPSA-N 0 0 307.346 0.852 10 0 DCAERN COC(CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221552 664291480 /nfs/dbraw/zinc/29/14/80/664291480.db2.gz UQIXZDGTTNAEOO-UKRRQHHQSA-N 0 0 322.405 0.968 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CCNC(=O)c1cccs1 ZINC000701232500 666819470 /nfs/dbraw/zinc/81/94/70/666819470.db2.gz RNIXPWNIMIEWEW-SECBINFHSA-N 0 0 300.380 0.992 10 0 DCAERN CN(CCO)C(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223366761 664407436 /nfs/dbraw/zinc/40/74/36/664407436.db2.gz PTPCAWCRKDIJML-GFCCVEGCSA-N 0 0 320.345 0.357 10 0 DCAERN CNC(=O)CCNc1nc(N2CCOCC2)nc2[nH]c(C)cc21 ZINC000223942610 664427838 /nfs/dbraw/zinc/42/78/38/664427838.db2.gz LVDXSQSNISPEPJ-UHFFFAOYSA-N 0 0 318.381 0.651 10 0 DCAERN CCC[C@H](OC)c1noc(C[C@H]2CS(=O)(=O)CCN2)n1 ZINC000227316401 664533051 /nfs/dbraw/zinc/53/30/51/664533051.db2.gz BWXRDOFTXSGPJV-UWVGGRQHSA-N 0 0 303.384 0.486 10 0 DCAERN C[C@H]1CN(Cn2nc(CCC(N)=O)n(C)c2=S)CCS1 ZINC000171606229 664610710 /nfs/dbraw/zinc/61/07/10/664610710.db2.gz CFYASWDWRJUXSM-VIFPVBQESA-N 0 0 315.468 0.764 10 0 DCAERN COC(C)(C)CCOC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000230421145 664619735 /nfs/dbraw/zinc/61/97/35/664619735.db2.gz ISRLTDBCNNGTAK-UHFFFAOYSA-N 0 0 304.368 0.644 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000172757748 664624889 /nfs/dbraw/zinc/62/48/89/664624889.db2.gz IIPXVQNQCGRNLA-LLVKDONJSA-N 0 0 300.384 0.481 10 0 DCAERN O=C1c2ccccc2N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961618 664626068 /nfs/dbraw/zinc/62/60/68/664626068.db2.gz CQQPJPCOHBNCJZ-ZDUSSCGKSA-N 0 0 315.373 0.580 10 0 DCAERN CC(C)C[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000174078423 664635401 /nfs/dbraw/zinc/63/54/01/664635401.db2.gz IFDXJNUVSUSACS-QWHCGFSZSA-N 0 0 302.440 0.957 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN(C2CC2)CC1 ZINC000074813583 664657239 /nfs/dbraw/zinc/65/72/39/664657239.db2.gz URWKJYFWTFXPNL-UHFFFAOYSA-N 0 0 317.455 0.689 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@H](n3cc(C)cn3)C2)nn1 ZINC000152922394 664779316 /nfs/dbraw/zinc/77/93/16/664779316.db2.gz VXHLTELMGSXYCU-LBPRGKRZSA-N 0 0 304.354 0.864 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000741422457 664839706 /nfs/dbraw/zinc/83/97/06/664839706.db2.gz WFQARNJTLGEDRE-NRFANRHFSA-N 0 0 311.363 0.908 10 0 DCAERN CN1CCCc2cc(NC(=O)CC[C@H]3NC(=O)NC3=O)ccc21 ZINC000731658121 664876432 /nfs/dbraw/zinc/87/64/32/664876432.db2.gz AYWBKUDBJCMJGI-GFCCVEGCSA-N 0 0 316.361 0.996 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC000732359754 664918293 /nfs/dbraw/zinc/91/82/93/664918293.db2.gz BJQGVAOQSVCSMA-CABZTGNLSA-N 0 0 319.317 0.441 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CNC(=O)N1 ZINC000732361749 664921609 /nfs/dbraw/zinc/92/16/09/664921609.db2.gz QUTQMEWYCNMMKB-JOYOIKCWSA-N 0 0 319.317 0.441 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)N1CCOCC1 ZINC000153621811 664924297 /nfs/dbraw/zinc/92/42/97/664924297.db2.gz KDGVDOJMZFVSHZ-AAEUAGOBSA-N 0 0 313.423 0.801 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000399083144 1157528102 /nfs/dbraw/zinc/52/81/02/1157528102.db2.gz UJAIDJKBULXYOG-VIFPVBQESA-N 0 0 300.355 0.975 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182498 665315433 /nfs/dbraw/zinc/31/54/33/665315433.db2.gz XVQDIUJSMXIFBA-LSDHHAIUSA-N 0 0 324.421 0.899 10 0 DCAERN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000175372156 665323090 /nfs/dbraw/zinc/32/30/90/665323090.db2.gz JACKUWLDAPZNRX-KOLCDFICSA-N 0 0 310.375 0.699 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000733180515 665339499 /nfs/dbraw/zinc/33/94/99/665339499.db2.gz YYHDZXFESKWRJN-ZDUSSCGKSA-N 0 0 321.402 0.814 10 0 DCAERN COC(CN(CCCO)Cc1nnc(C(C)C)n1C)OC ZINC000183665316 666092316 /nfs/dbraw/zinc/09/23/16/666092316.db2.gz BWEJLJBPGYXQKW-UHFFFAOYSA-N 0 0 300.403 0.742 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCC[C@H]1CCCO1)c2=O ZINC000184385070 666199775 /nfs/dbraw/zinc/19/97/75/666199775.db2.gz YVWMOSXAKNQADF-LLVKDONJSA-N 0 0 320.349 0.632 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000184910553 666302150 /nfs/dbraw/zinc/30/21/50/666302150.db2.gz NKPQSOMSKAEADL-VXGBXAGGSA-N 0 0 314.345 0.976 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC000447715887 666358856 /nfs/dbraw/zinc/35/88/56/666358856.db2.gz ABUPIHCRAHJFHA-GXTWGEPZSA-N 0 0 306.387 0.858 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)O[C@H](C)CCS(C)(=O)=O ZINC000185702986 666550057 /nfs/dbraw/zinc/55/00/57/666550057.db2.gz AENGMTLTQDCKDH-SECBINFHSA-N 0 0 302.396 0.946 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCc1cccnc1)c2=O ZINC000073299532 666651515 /nfs/dbraw/zinc/65/15/15/666651515.db2.gz BQYUKXTTYUCCIZ-UHFFFAOYSA-N 0 0 313.317 0.311 10 0 DCAERN Cn1ncc(C(=O)NC[C@@H]2COCCN2C)c1Br ZINC000700141922 666685627 /nfs/dbraw/zinc/68/56/27/666685627.db2.gz BTRNMVNBMYPFOC-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1cccc(Br)n1 ZINC000700218566 666695928 /nfs/dbraw/zinc/69/59/28/666695928.db2.gz ROTFTNQMUQNKLC-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)CC1CCCCC1 ZINC000733878837 666823377 /nfs/dbraw/zinc/82/33/77/666823377.db2.gz LBDOELNHOYAJPO-HXUWFJFHSA-N 0 0 302.440 0.958 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000733900118 666824869 /nfs/dbraw/zinc/82/48/69/666824869.db2.gz UKICPVXRSVIXKK-LJQANCHMSA-N 0 0 319.404 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000733964430 666832748 /nfs/dbraw/zinc/83/27/48/666832748.db2.gz PEUUKZYGTOVXJS-GTJPDFRWSA-N 0 0 310.375 0.661 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000733965670 666833038 /nfs/dbraw/zinc/83/30/38/666833038.db2.gz HGABXQVNEIAALT-JOCHJYFZSA-N 0 0 321.406 0.533 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cn[nH]n1 ZINC000734361772 666868899 /nfs/dbraw/zinc/86/88/99/666868899.db2.gz RCTURJASOKEZNH-OAHLLOKOSA-N 0 0 313.361 0.957 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000735091071 666950009 /nfs/dbraw/zinc/95/00/09/666950009.db2.gz VTCRSSLZFDADSQ-QRQYBIJMSA-N 0 0 319.471 0.554 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000735090623 666950090 /nfs/dbraw/zinc/95/00/90/666950090.db2.gz FOAIMIAKRQTTRF-OAQYLSRUSA-N 0 0 312.439 0.830 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000735091372 666950701 /nfs/dbraw/zinc/95/07/01/666950701.db2.gz ZCRKTWFEZSRGRR-CHNSCGDPSA-N 0 0 309.395 0.858 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000735112414 666954719 /nfs/dbraw/zinc/95/47/19/666954719.db2.gz VLCCOKIZSAUGAE-GTJPDFRWSA-N 0 0 310.423 0.710 10 0 DCAERN CC[S@@](=O)CCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000735112324 666954892 /nfs/dbraw/zinc/95/48/92/666954892.db2.gz URIPGXSJODCZAZ-MLCYQJTMSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccccc1COC ZINC000735197748 666966117 /nfs/dbraw/zinc/96/61/17/666966117.db2.gz ALANOUVPXPWWSY-NRFANRHFSA-N 0 0 312.391 0.656 10 0 DCAERN CC(C)OCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702811440 666999222 /nfs/dbraw/zinc/99/92/22/666999222.db2.gz AICRGXMPBRAPAU-VXGBXAGGSA-N 0 0 316.398 0.755 10 0 DCAERN Cn1cncc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702819282 667000594 /nfs/dbraw/zinc/00/05/94/667000594.db2.gz OQVSSUYKKFGNBH-JQWIXIFHSA-N 0 0 324.381 0.378 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCn2cc[nH]c(=O)c2=O)s1 ZINC000736153475 667110672 /nfs/dbraw/zinc/11/06/72/667110672.db2.gz PYZXZENIXAWOCP-UHFFFAOYSA-N 0 0 308.319 0.225 10 0 DCAERN CSCC[C@@H](C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000736382495 667159125 /nfs/dbraw/zinc/15/91/25/667159125.db2.gz WVILXDDUCPAEBZ-LLVKDONJSA-N 0 0 323.484 0.853 10 0 DCAERN CSCC[C@H](C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000736382496 667159343 /nfs/dbraw/zinc/15/93/43/667159343.db2.gz WVILXDDUCPAEBZ-NSHDSACASA-N 0 0 323.484 0.853 10 0 DCAERN O=C1OCC[C@H]1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000120466779 667316728 /nfs/dbraw/zinc/31/67/28/667316728.db2.gz AAHNYOOZWJSAHY-GFCCVEGCSA-N 0 0 316.365 0.200 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CCS1 ZINC000707348211 667437838 /nfs/dbraw/zinc/43/78/38/667437838.db2.gz QLPIRYQZZHRZDG-RYUDHWBXSA-N 0 0 320.480 0.363 10 0 DCAERN CC(C)(C)[C@H]1CN(S(=O)(=O)c2cnc(N)nc2)CCO1 ZINC000709073951 667443823 /nfs/dbraw/zinc/44/38/23/667443823.db2.gz PDKSISGTJYKJFJ-SNVBAGLBSA-N 0 0 300.384 0.494 10 0 DCAERN O=S(=O)(N1CC[C@@H](c2nccs2)C1)N1CCNCC1 ZINC000710535700 667445823 /nfs/dbraw/zinc/44/58/23/667445823.db2.gz CMLLNHGITLAUQS-SNVBAGLBSA-N 0 0 302.425 0.082 10 0 DCAERN O=c1n(CN2CCO[C@H](c3cccs3)C2)nc2cnccn21 ZINC000133720267 667474322 /nfs/dbraw/zinc/47/43/22/667474322.db2.gz OKZJFGZJPZSJBO-NSHDSACASA-N 0 0 317.374 0.984 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCC3(C2)OCCO3)c1 ZINC000133962505 667497723 /nfs/dbraw/zinc/49/77/23/667497723.db2.gz LYFMVFSZMKYZAF-UHFFFAOYSA-N 0 0 301.368 0.431 10 0 DCAERN COc1cc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)cc(C)n1 ZINC000886031728 667726215 /nfs/dbraw/zinc/72/62/15/667726215.db2.gz PVRAESUWJFFGPU-OAHLLOKOSA-N 0 0 317.349 0.267 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@](F)(CO)C2)c1 ZINC000886039174 667726819 /nfs/dbraw/zinc/72/68/19/667726819.db2.gz OCZPVKBHPZFERZ-QGZUEGPWSA-N 0 0 321.352 0.777 10 0 DCAERN COc1ccccc1/C(C)=C\C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000886066038 667727879 /nfs/dbraw/zinc/72/78/79/667727879.db2.gz NIZKNRIEOVBZJN-XSLBHYSZSA-N 0 0 318.373 0.937 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2cc(C)on2)C1=O ZINC000886074747 667729191 /nfs/dbraw/zinc/72/91/91/667729191.db2.gz SVJUMPPYQOJCNX-CYBMUJFWSA-N 0 0 309.366 0.969 10 0 DCAERN CO[C@@H]1CN(C(=O)C2=C(C)OCCC2)C[C@H]1c1cn(C)nn1 ZINC000886084778 667730284 /nfs/dbraw/zinc/73/02/84/667730284.db2.gz GYMDAEAFXZWWCO-GXTWGEPZSA-N 0 0 306.366 0.840 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1O ZINC000717385400 667743970 /nfs/dbraw/zinc/74/39/70/667743970.db2.gz MNUQCVXRPSNKHU-QUBYGPBYSA-N 0 0 304.140 0.626 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCOC[C@H]1CCOC1 ZINC000740917271 667754352 /nfs/dbraw/zinc/75/43/52/667754352.db2.gz MYUVKGUKQSSOJV-MPBGBICISA-N 0 0 306.428 0.497 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000741077650 667758169 /nfs/dbraw/zinc/75/81/69/667758169.db2.gz SMNOEPAZPGVMJK-OAQYLSRUSA-N 0 0 313.379 0.441 10 0 DCAERN COc1ccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)cc1 ZINC000741141925 667759896 /nfs/dbraw/zinc/75/98/96/667759896.db2.gz NABHFCUYDHUASS-OAQYLSRUSA-N 0 0 310.419 0.832 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000741423844 667771116 /nfs/dbraw/zinc/77/11/16/667771116.db2.gz XAISWVBKSSGMEM-YBTHPKLGSA-N 0 0 304.412 0.550 10 0 DCAERN COC(=O)/C(C)=C/CSc1nnc(N2CCOCC2)n1C ZINC000742207244 667783612 /nfs/dbraw/zinc/78/36/12/667783612.db2.gz YEAJZKTVWAGFOM-ONNFQVAWSA-N 0 0 312.395 0.863 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nccn1C ZINC000123652655 667828173 /nfs/dbraw/zinc/82/81/73/667828173.db2.gz XAQHVONNYHSRPU-LLVKDONJSA-N 0 0 315.395 0.668 10 0 DCAERN Cc1nc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)sc1C ZINC000125024039 668192716 /nfs/dbraw/zinc/19/27/16/668192716.db2.gz KYOUQQPECMTDPJ-VIFPVBQESA-N 0 0 303.409 0.475 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCF ZINC000126484955 668611728 /nfs/dbraw/zinc/61/17/28/668611728.db2.gz SAKOHNXINNIDHY-VIFPVBQESA-N 0 0 313.354 0.589 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCCc1ccccc1 ZINC000126554611 668622732 /nfs/dbraw/zinc/62/27/32/668622732.db2.gz VVOSMDBPRJMYHL-AWEZNQCLSA-N 0 0 310.419 0.512 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NC[C@H]1Cc2ccccc21 ZINC000126549564 668622827 /nfs/dbraw/zinc/62/28/27/668622827.db2.gz VVHINVUODGHSNP-OLZOCXBDSA-N 0 0 308.403 0.219 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCC1CCCCC1 ZINC000126556046 668622892 /nfs/dbraw/zinc/62/28/92/668622892.db2.gz UTOLROWYCMCKFR-ZDUSSCGKSA-N 0 0 302.440 0.850 10 0 DCAERN CC(C)c1csc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)n1 ZINC000126691967 668645579 /nfs/dbraw/zinc/64/55/79/668645579.db2.gz CQOCYMYBIYWKAS-VIFPVBQESA-N 0 0 317.436 0.982 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)[C@H](C)C1 ZINC000126782683 668658683 /nfs/dbraw/zinc/65/86/83/668658683.db2.gz NXVWPUSRBHSNBI-LPWJVIDDSA-N 0 0 302.440 0.704 10 0 DCAERN CCN(Cc1ccccn1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126869069 668672483 /nfs/dbraw/zinc/67/24/83/668672483.db2.gz SLOMOYGSVONASQ-ZDUSSCGKSA-N 0 0 311.407 0.207 10 0 DCAERN Cc1nn(C)c(C)c1CCOC(=O)CCC(=O)N1CCOCC1 ZINC000127135295 668730177 /nfs/dbraw/zinc/73/01/77/668730177.db2.gz XLWNDXUZSGCTFE-UHFFFAOYSA-N 0 0 323.393 0.762 10 0 DCAERN C[C@@H](c1ccc(F)nc1)N1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786749 669080697 /nfs/dbraw/zinc/08/06/97/669080697.db2.gz FICWEERPZNEDSX-ONGXEEELSA-N 0 0 304.329 0.919 10 0 DCAERN CCn1ncc2c1CCC[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000934074569 669565061 /nfs/dbraw/zinc/56/50/61/669565061.db2.gz YHGIXJZDGAVHAR-KOLCDFICSA-N 0 0 304.350 0.449 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000157027405 669841467 /nfs/dbraw/zinc/84/14/67/669841467.db2.gz OZFHOTGKCGEWTC-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN CC[C@@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CCS1 ZINC000157478410 669922566 /nfs/dbraw/zinc/92/25/66/669922566.db2.gz YUKZBEJAWDTKQX-WDEREUQCSA-N 0 0 306.453 0.117 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cn1 ZINC000158288468 669924240 /nfs/dbraw/zinc/92/42/40/669924240.db2.gz QIFGMKHUQBCUEG-AAEUAGOBSA-N 0 0 308.382 0.899 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1ccc(F)cc1 ZINC000047613610 669929945 /nfs/dbraw/zinc/92/99/45/669929945.db2.gz HRHKYHURJMWKKX-UHFFFAOYSA-N 0 0 315.348 0.127 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159012050 669932155 /nfs/dbraw/zinc/93/21/55/669932155.db2.gz KSKCRFJQAOFHKM-OLZOCXBDSA-N 0 0 305.334 0.896 10 0 DCAERN CCN(CCS(C)(=O)=O)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000159256060 669935148 /nfs/dbraw/zinc/93/51/48/669935148.db2.gz GTWUAIIPBSJLCU-NSHDSACASA-N 0 0 312.457 0.330 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)CC1=O ZINC000191514974 670048578 /nfs/dbraw/zinc/04/85/78/670048578.db2.gz BHKUSYMNSSXYGD-UHFFFAOYSA-N 0 0 318.377 0.648 10 0 DCAERN Cn1cc(CNC[C@H]2CN(C)CCO2)c(Br)n1 ZINC000712490605 670149658 /nfs/dbraw/zinc/14/96/58/670149658.db2.gz HWKXSMBQBLCGKD-JTQLQIEISA-N 0 0 303.204 0.603 10 0 DCAERN COC[C@H]1CN(CN2Cc3ccc(OC)cc3C2=O)CCO1 ZINC000189744936 670154525 /nfs/dbraw/zinc/15/45/25/670154525.db2.gz SAIIWRUXFJNZFH-CQSZACIVSA-N 0 0 306.362 0.956 10 0 DCAERN C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000189868996 670171036 /nfs/dbraw/zinc/17/10/36/670171036.db2.gz CPGWWUIICHDXJD-LZGFCCKTSA-N 0 0 305.309 0.975 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2cccc(Cl)c2)CC1 ZINC000713967437 670172844 /nfs/dbraw/zinc/17/28/44/670172844.db2.gz JZCOFCNYEACVFB-UHFFFAOYSA-N 0 0 302.783 0.820 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000713980780 670173249 /nfs/dbraw/zinc/17/32/49/670173249.db2.gz RTDBTWRMXLHNBO-UHFFFAOYSA-N 0 0 304.318 0.445 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000714004919 670174224 /nfs/dbraw/zinc/17/42/24/670174224.db2.gz PRIDRDFHVBKTSZ-UHFFFAOYSA-N 0 0 308.281 0.655 10 0 DCAERN CC1=C(C(=O)NCCCn2ccnn2)[C@H](C)n2ncnc2N1C ZINC000192586236 670184012 /nfs/dbraw/zinc/18/40/12/670184012.db2.gz NLOZTDWWKQDCKV-NSHDSACASA-N 0 0 316.369 0.361 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCCC2(CC2)C1 ZINC000714308018 670184194 /nfs/dbraw/zinc/18/41/94/670184194.db2.gz CCBJPWWYMUEBFE-NSHDSACASA-N 0 0 301.412 0.223 10 0 DCAERN C[C@H](NC(N)=O)C(=O)NCc1ncc(Br)s1 ZINC000714655781 670192318 /nfs/dbraw/zinc/19/23/18/670192318.db2.gz XKTBRZSMGBPZBE-BYPYZUCNSA-N 0 0 307.173 0.579 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@H]1CCCS1 ZINC000715939806 670226372 /nfs/dbraw/zinc/22/63/72/670226372.db2.gz AXKLVZLDEXPHDN-GHMZBOCLSA-N 0 0 306.453 0.165 10 0 DCAERN O=C1CCC(S(=O)(=O)N[C@H]2CCCC23OCCO3)CC1 ZINC000715964848 670226968 /nfs/dbraw/zinc/22/69/68/670226968.db2.gz HMNGZIQJTFKHRH-LBPRGKRZSA-N 0 0 303.380 0.713 10 0 DCAERN Cn1cc(Br)c(CNC2CC(S(C)(=O)=O)C2)n1 ZINC000716140874 670228589 /nfs/dbraw/zinc/22/85/89/670228589.db2.gz XRWQSFHMXOTRNB-UHFFFAOYSA-N 0 0 322.228 0.848 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000193219190 670253382 /nfs/dbraw/zinc/25/33/82/670253382.db2.gz DCTZQNNRQKJJRC-DGCLKSJQSA-N 0 0 306.362 0.713 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000716858094 670271089 /nfs/dbraw/zinc/27/10/89/670271089.db2.gz XBZZTIKRKPXHAQ-ZYHUDNBSSA-N 0 0 306.428 0.324 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000716831491 670273177 /nfs/dbraw/zinc/27/31/77/670273177.db2.gz UVRZIEZIEHDNBP-GMTAPVOTSA-N 0 0 309.453 0.572 10 0 DCAERN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@H](C(F)F)C1 ZINC000193584673 670305910 /nfs/dbraw/zinc/30/59/10/670305910.db2.gz SAMPOFROYTVDOR-QMMMGPOBSA-N 0 0 302.237 0.559 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ccc(Cl)nc2)cn1 ZINC000193758739 670341197 /nfs/dbraw/zinc/34/11/97/670341197.db2.gz XVXKTSUHJKTBOI-UHFFFAOYSA-N 0 0 322.756 0.999 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000190301016 670413009 /nfs/dbraw/zinc/41/30/09/670413009.db2.gz CSMJFPZXIKBFKM-PWSUYJOCSA-N 0 0 320.397 0.832 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CCO[C@H](C(F)F)C1 ZINC000194282794 670420967 /nfs/dbraw/zinc/42/09/67/670420967.db2.gz GARKEZAJDIOFAW-IUCAKERBSA-N 0 0 301.297 0.789 10 0 DCAERN CCN1CN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC1=O ZINC000190647953 670472907 /nfs/dbraw/zinc/47/29/07/670472907.db2.gz POXUZHDNGSLHOT-UHFFFAOYSA-N 0 0 303.771 0.854 10 0 DCAERN CCN1CCN(CC(=O)OCCc2ccc(F)cc2)C(=O)C1=O ZINC000111992810 670532126 /nfs/dbraw/zinc/53/21/26/670532126.db2.gz BUQJIBDXECVOAX-UHFFFAOYSA-N 0 0 322.336 0.602 10 0 DCAERN Cc1nc(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)no1 ZINC000109187272 670896936 /nfs/dbraw/zinc/89/69/36/670896936.db2.gz LQUZPJCVIFYCSB-UHFFFAOYSA-N 0 0 316.273 0.125 10 0 DCAERN CCn1c(C)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S ZINC000116869484 671132226 /nfs/dbraw/zinc/13/22/26/671132226.db2.gz NUZIKJUIUJLNHZ-SNVBAGLBSA-N 0 0 319.456 0.323 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111360161 671233360 /nfs/dbraw/zinc/23/33/60/671233360.db2.gz XIRVPLQJXQLTKJ-GFCCVEGCSA-N 0 0 302.400 0.169 10 0 DCAERN CC(C)[C@@](C)(CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000398599668 685274869 /nfs/dbraw/zinc/27/48/69/685274869.db2.gz ZJVXALSIXYIROX-CMPLNLGQSA-N 0 0 309.453 0.430 10 0 DCAERN O=S(=O)(N[C@]12C[C@H]1COC2)c1cncc(Br)c1 ZINC000717998131 685304299 /nfs/dbraw/zinc/30/42/99/685304299.db2.gz GETGYRMSPDIEGB-XVKPBYJWSA-N 0 0 319.180 0.911 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1)C1CC1 ZINC000718004657 685304770 /nfs/dbraw/zinc/30/47/70/685304770.db2.gz JJZSHBIPAAXTMK-DGCLKSJQSA-N 0 0 305.440 0.818 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000719105961 685308336 /nfs/dbraw/zinc/30/83/36/685308336.db2.gz YXKNXCDLPLGJAP-NSHDSACASA-N 0 0 323.411 0.063 10 0 DCAERN CN(CCS(N)(=O)=O)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000719396959 685310226 /nfs/dbraw/zinc/31/02/26/685310226.db2.gz NMISMHHCWVEZKV-LLVKDONJSA-N 0 0 318.782 0.390 10 0 DCAERN CO[C@]1(CNC(=O)c2csc(Cl)n2)CCS(=O)(=O)C1 ZINC000720860653 685316567 /nfs/dbraw/zinc/31/65/67/685316567.db2.gz GGBSMXZAAQQOSO-JTQLQIEISA-N 0 0 324.811 0.730 10 0 DCAERN CO[C@]1(CNCc2c(Cl)cnn2C)CCS(=O)(=O)C1 ZINC000721229650 685318300 /nfs/dbraw/zinc/31/83/00/685318300.db2.gz NJOGDRHKAZOGCS-NSHDSACASA-N 0 0 307.803 0.367 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2CNOC2)cc1 ZINC000722501780 685319620 /nfs/dbraw/zinc/31/96/20/685319620.db2.gz SRCGWDGYNNNKJE-SNVBAGLBSA-N 0 0 300.336 0.045 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2c(C)sc(C)c2C)C1 ZINC000722573552 685319963 /nfs/dbraw/zinc/31/99/63/685319963.db2.gz VOICTNVSELVSEM-UHFFFAOYSA-N 0 0 319.404 0.582 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000037991745 685056519 /nfs/dbraw/zinc/05/65/19/685056519.db2.gz SFLWPBHXQCMKEW-JGVFFNPUSA-N 0 0 320.802 0.348 10 0 DCAERN CC(C)c1ccc(NC(=O)CN2CCN(C(=O)CO)CC2)cc1 ZINC000089422779 685099446 /nfs/dbraw/zinc/09/94/46/685099446.db2.gz XXZWLZQTUYSARM-UHFFFAOYSA-N 0 0 319.405 0.885 10 0 DCAERN C#CCCN1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 ZINC000091041641 685103050 /nfs/dbraw/zinc/10/30/50/685103050.db2.gz BIFCRCINWGGUFZ-UHFFFAOYSA-N 0 0 324.384 0.784 10 0 DCAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CSC(=O)N1 ZINC000155261223 685135408 /nfs/dbraw/zinc/13/54/08/685135408.db2.gz CAHZCTBTEFXOFF-SFYZADRCSA-N 0 0 311.329 0.812 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000246217072 685162737 /nfs/dbraw/zinc/16/27/37/685162737.db2.gz PLBUNWSWSNPLJA-XTWCZFFVSA-N 0 0 304.325 0.770 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cn3nc4ccccn4c3=O)[C@H]2C1 ZINC000246747124 685166278 /nfs/dbraw/zinc/16/62/78/685166278.db2.gz OLUKEZNODYPQEJ-HZSPNIEDSA-N 0 0 318.377 0.722 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)C)C2=O)C1 ZINC000249705965 685183718 /nfs/dbraw/zinc/18/37/18/685183718.db2.gz NWMXSIUXPDXMMA-DOMZBBRYSA-N 0 0 310.398 0.511 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]2C ZINC000364150218 685221868 /nfs/dbraw/zinc/22/18/68/685221868.db2.gz XXZBICWBHIWCJX-GHMZBOCLSA-N 0 0 305.382 0.783 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCCS(=O)(=O)C(C)C ZINC000382365322 685240679 /nfs/dbraw/zinc/24/06/79/685240679.db2.gz NNMICQZMTWEONX-UHFFFAOYSA-N 0 0 309.413 0.128 10 0 DCAERN Cn1nnc(Br)c1C(=O)NCC[C@H]1CCCO1 ZINC000383495729 685242328 /nfs/dbraw/zinc/24/23/28/685242328.db2.gz DBXLJJURPLFEFN-SSDOTTSWSA-N 0 0 303.160 0.877 10 0 DCAERN O=C(NCCn1cnccc1=O)c1cc(-c2ccco2)on1 ZINC000585238128 1158110807 /nfs/dbraw/zinc/11/08/07/1158110807.db2.gz NHAYGCOVXRHKOK-UHFFFAOYSA-N 0 0 300.274 0.921 10 0 DCAERN C[C@@H](CNC(=O)c1sc2ncccc2c1N)S(N)(=O)=O ZINC000398254748 1158114821 /nfs/dbraw/zinc/11/48/21/1158114821.db2.gz QIEKTZVWRLHBHX-LURJTMIESA-N 0 0 314.392 0.285 10 0 DCAERN Cn1cc(CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)nn1 ZINC000389820153 1158219102 /nfs/dbraw/zinc/21/91/02/1158219102.db2.gz CFZQKTLSZMOOOE-LBPRGKRZSA-N 0 0 310.354 0.963 10 0 DCAERN CCS(=O)(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000036134731 1170210071 /nfs/dbraw/zinc/21/00/71/1170210071.db2.gz ONNXPXZJXSYGQA-UHFFFAOYSA-N 0 0 306.409 0.206 10 0 DCAERN CN(C(=O)c1cc(F)c(F)cc1N)[C@H]1CCS(=O)(=O)C1 ZINC000050016950 1171713941 /nfs/dbraw/zinc/71/39/41/1171713941.db2.gz UFXDKOZFBGJTAM-ZETCQYMHSA-N 0 0 304.318 0.806 10 0 DCAERN CC(=O)NCCNC(=O)NCCCNC(=O)c1ccccc1F ZINC000063316692 1173070466 /nfs/dbraw/zinc/07/04/66/1173070466.db2.gz KIJSXLUBBRFRBF-UHFFFAOYSA-N 0 0 324.356 0.381 10 0 DCAERN CC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068177702 1173784870 /nfs/dbraw/zinc/78/48/70/1173784870.db2.gz BVQHAJZVNVDAGD-UHFFFAOYSA-N 0 0 309.326 0.227 10 0 DCAERN CN(Cc1nc2c(s1)CCCC2)C(=O)CN1C(=O)CNC1=O ZINC000083012320 1174759699 /nfs/dbraw/zinc/75/96/99/1174759699.db2.gz KRINZQNKQGKMDW-UHFFFAOYSA-N 0 0 322.390 0.532 10 0 DCAERN Cn1cnc(S(=O)(=O)N2Cc3ccccc3NC(=O)C2)c1 ZINC000087887965 1175226929 /nfs/dbraw/zinc/22/69/29/1175226929.db2.gz IOINJPXYDOAXSW-UHFFFAOYSA-N 0 0 306.347 0.563 10 0 DCAERN COC(CNC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)OC ZINC000096565940 1175883909 /nfs/dbraw/zinc/88/39/09/1175883909.db2.gz NDRRWUQYJXACDE-NSHDSACASA-N 0 0 322.361 0.926 10 0 DCAERN COC(CNC(=O)c1ccc(NS(C)(=O)=O)cc1)OC ZINC000096594892 1175885928 /nfs/dbraw/zinc/88/59/28/1175885928.db2.gz YXRQFFGVLRBOSJ-UHFFFAOYSA-N 0 0 302.352 0.407 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ncc[nH]2)cn1C ZINC000141466971 1180011720 /nfs/dbraw/zinc/01/17/20/1180011720.db2.gz USUJOFBNTRVKMA-MRVPVSSYSA-N 0 0 311.367 0.147 10 0 DCAERN Cc1noc(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2)n1 ZINC000152136417 1180544957 /nfs/dbraw/zinc/54/49/57/1180544957.db2.gz NTTUYDGSZXEMQD-NSHDSACASA-N 0 0 314.301 0.580 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC(=O)NC2=O)cnn1C1CCCC1 ZINC000161599358 1181093543 /nfs/dbraw/zinc/09/35/43/1181093543.db2.gz ZNZORUBSWYGNFG-LBPRGKRZSA-N 0 0 304.350 0.842 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cnn1C1CCCC1 ZINC000161599227 1181093806 /nfs/dbraw/zinc/09/38/06/1181093806.db2.gz ZNZORUBSWYGNFG-GFCCVEGCSA-N 0 0 304.350 0.842 10 0 DCAERN CC(C)CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000169834339 1183608725 /nfs/dbraw/zinc/60/87/25/1183608725.db2.gz NCLKJSSNYZNJET-GFCCVEGCSA-N 0 0 311.426 0.912 10 0 DCAERN COCCOCC(=O)N1CCC(NC(=O)C(C)(C)C)CC1 ZINC000169878279 1183616514 /nfs/dbraw/zinc/61/65/14/1183616514.db2.gz VIWVVQNZRRLCRP-UHFFFAOYSA-N 0 0 300.399 0.803 10 0 DCAERN Cc1noc([C@@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000172267041 1183829287 /nfs/dbraw/zinc/82/92/87/1183829287.db2.gz POEYARABJARFSB-SCZZXKLOSA-N 0 0 318.399 0.807 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCSC(F)(F)F ZINC000176012155 1184122491 /nfs/dbraw/zinc/12/24/91/1184122491.db2.gz YDRXSHAHTHUTOD-UHFFFAOYSA-N 0 0 308.347 0.637 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178243717 1184405095 /nfs/dbraw/zinc/40/50/95/1184405095.db2.gz VDHNEKIWBZAPTJ-FXJUQPSGSA-N 0 0 316.423 0.366 10 0 DCAERN Cc1nn(C)c(Cl)c1CC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000181132542 1185178140 /nfs/dbraw/zinc/17/81/40/1185178140.db2.gz LNRUMMMRNBLXKL-UHFFFAOYSA-N 0 0 324.772 0.194 10 0 DCAERN Nc1ncc(S(=O)(=O)NCCOCC2CCCC2)cn1 ZINC000313233996 1190395316 /nfs/dbraw/zinc/39/53/16/1190395316.db2.gz DMTLHCYGDZQAOP-UHFFFAOYSA-N 0 0 300.384 0.544 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@H]([C@H](C)O)C1 ZINC000588411503 747254367 /nfs/dbraw/zinc/25/43/67/747254367.db2.gz WWMICVMRZGSMOK-DYEKYZERSA-N 0 0 306.410 0.917 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000588553608 747435377 /nfs/dbraw/zinc/43/53/77/747435377.db2.gz DJQAXWUXNDDYGN-BZPMIXESSA-N 0 0 306.410 0.917 10 0 DCAERN C[S@@](=N)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000404731158 747476160 /nfs/dbraw/zinc/47/61/60/747476160.db2.gz VHNYAVYFYMTRPI-SFHVURJKSA-N 0 0 303.409 0.584 10 0 DCAERN CCCNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000171002196 769561953 /nfs/dbraw/zinc/56/19/53/769561953.db2.gz WTNAZLNZOCYMBD-OAHLLOKOSA-N 0 0 304.350 0.950 10 0 DCAERN COC(CNC(=O)CCN1C(=O)COc2ccccc21)OC ZINC000075217675 772150209 /nfs/dbraw/zinc/15/02/09/772150209.db2.gz SBJVYCUUDFQZTC-UHFFFAOYSA-N 0 0 308.334 0.537 10 0 DCAERN NC(=O)CN1CCC(NC(=O)c2cccc(Cl)c2N)CC1 ZINC000155910329 772253467 /nfs/dbraw/zinc/25/34/67/772253467.db2.gz ZZKNWAQPRVBTDK-UHFFFAOYSA-N 0 0 310.785 0.602 10 0 DCAERN O=C(NCC[C@H]1CNCCS1(=O)=O)c1ccc(Cl)nc1 ZINC000721775696 944910653 /nfs/dbraw/zinc/91/06/53/944910653.db2.gz HELWBSLTXIXULE-JTQLQIEISA-N 0 0 317.798 0.242 10 0 DCAERN O=C(c1cc(Cl)ncc1Cl)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388112121 948976125 /nfs/dbraw/zinc/97/61/25/948976125.db2.gz CRFUJRLMLIVFFC-KNVOCYPGSA-N 0 0 314.128 0.733 10 0 DCAERN CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000699104848 954847397 /nfs/dbraw/zinc/84/73/97/954847397.db2.gz YBISURDCFBAPQN-LBPRGKRZSA-N 0 0 306.428 0.845 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000690818321 976338877 /nfs/dbraw/zinc/33/88/77/976338877.db2.gz QWMLETUEEKXMEM-NEPJUHHUSA-N 0 0 304.412 0.597 10 0 DCAERN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000692360923 976433300 /nfs/dbraw/zinc/43/33/00/976433300.db2.gz ZSOLTVQQYQXYOS-AVGNSLFASA-N 0 0 301.408 0.996 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C)cc1 ZINC000121971164 290629714 /nfs/dbraw/zinc/62/97/14/290629714.db2.gz PWVRJFJYLRGERU-GHMZBOCLSA-N 0 0 312.391 0.844 10 0 DCAERN CN1CCN(C(=O)CN2c3ccccc3SCC2=O)CC1 ZINC000078944321 185133325 /nfs/dbraw/zinc/13/33/25/185133325.db2.gz NTWSEHJAMJSQIU-UHFFFAOYSA-N 0 0 305.403 0.899 10 0 DCAERN Cc1cc(Br)cnc1N1CC[C@@](O)(C(N)=O)C1 ZINC000278745335 214371366 /nfs/dbraw/zinc/37/13/66/214371366.db2.gz MDMBDVRMGAYQSE-NSHDSACASA-N 0 0 300.156 0.579 10 0 DCAERN CCc1cnccc1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328641672 529669960 /nfs/dbraw/zinc/66/99/60/529669960.db2.gz QRWZQTHEZIJBBU-ZDUSSCGKSA-N 0 0 320.393 0.952 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)N(CC)CC)CCO2)[nH]1 ZINC000173739485 529701823 /nfs/dbraw/zinc/70/18/23/529701823.db2.gz ARESACDZGYZPNF-SNVBAGLBSA-N 0 0 317.415 0.327 10 0 DCAERN COCCN1CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1=O ZINC000092590619 185327812 /nfs/dbraw/zinc/32/78/12/185327812.db2.gz KGFSAUQAILKCMP-CYBMUJFWSA-N 0 0 308.382 0.378 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000181382254 199287672 /nfs/dbraw/zinc/28/76/72/199287672.db2.gz SJJWNZBEIBVQLP-NSHDSACASA-N 0 0 304.350 0.815 10 0 DCAERN CCc1nc(CN2CCN(C(=O)[C@]3(C)CCCO3)CC2)no1 ZINC000153067230 529736538 /nfs/dbraw/zinc/73/65/38/529736538.db2.gz ASDUDCUDLBLZOA-HNNXBMFYSA-N 0 0 308.382 0.845 10 0 DCAERN CN(C)c1nc(CN2CCN(c3cnccn3)CC2)ns1 ZINC000156345327 529802381 /nfs/dbraw/zinc/80/23/81/529802381.db2.gz WOMTYPAXJLFPHL-UHFFFAOYSA-N 0 0 305.411 0.716 10 0 DCAERN CN1C[C@@H](NC(=O)NCCC(=O)N2CCCCC2)CCC1=O ZINC000172351137 529820334 /nfs/dbraw/zinc/82/03/34/529820334.db2.gz BOVWOJZMADRZHQ-LBPRGKRZSA-N 0 0 310.398 0.309 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427654 529852505 /nfs/dbraw/zinc/85/25/05/529852505.db2.gz LSHGCGWWYKIOQT-ZDUSSCGKSA-N 0 0 323.368 0.013 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(C)C ZINC000178412897 529896978 /nfs/dbraw/zinc/89/69/78/529896978.db2.gz VRKAOUDMJFXXGT-OLZOCXBDSA-N 0 0 314.430 0.025 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)C(C)C ZINC000179083348 529918456 /nfs/dbraw/zinc/91/84/56/529918456.db2.gz ABRGHHAJRLAEGB-LLVKDONJSA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCC(C)(C)N1CCOCC1)C(C)C ZINC000178440707 529919354 /nfs/dbraw/zinc/91/93/54/529919354.db2.gz BXRSCQUNRLBWFS-GFCCVEGCSA-N 0 0 314.430 0.167 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000302168376 529951466 /nfs/dbraw/zinc/95/14/66/529951466.db2.gz PIYQRZBFZNPNEZ-UHFFFAOYSA-N 0 0 315.381 0.190 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1C ZINC000286734415 219135750 /nfs/dbraw/zinc/13/57/50/219135750.db2.gz TVMJKJGLAQWNGQ-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 ZINC000108459904 185514367 /nfs/dbraw/zinc/51/43/67/185514367.db2.gz JFBLOOWFCGDVJS-ZJUUUORDSA-N 0 0 310.375 0.888 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000108459623 185514511 /nfs/dbraw/zinc/51/45/11/185514511.db2.gz USYJUEVTYPEYOL-QMMMGPOBSA-N 0 0 307.331 0.391 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cnn(C)c1)CC2 ZINC000181734985 199345415 /nfs/dbraw/zinc/34/54/15/199345415.db2.gz LAVNNCPNKKBQRV-SNVBAGLBSA-N 0 0 324.410 0.428 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000272728481 210131311 /nfs/dbraw/zinc/13/13/11/210131311.db2.gz AMTBQBQLHYPYMW-CHWSQXEVSA-N 0 0 324.764 0.617 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)COCc1ccnn1C ZINC000286796120 219170819 /nfs/dbraw/zinc/17/08/19/219170819.db2.gz NZFPXSYYWMRGDP-ZLDLUXBVSA-N 0 0 321.377 0.737 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000286815524 219179355 /nfs/dbraw/zinc/17/93/55/219179355.db2.gz ILBNXRYFMHGDDX-UHFFFAOYSA-N 0 0 303.771 0.554 10 0 DCAERN CN1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1=O ZINC000183273651 199565966 /nfs/dbraw/zinc/56/59/66/199565966.db2.gz PSPVCKWOMQTFES-UHFFFAOYSA-N 0 0 304.272 0.750 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNC(=O)C(C)(C)C ZINC000083716720 192379730 /nfs/dbraw/zinc/37/97/30/192379730.db2.gz DKCZAUUGOYBUPC-NSHDSACASA-N 0 0 322.413 0.883 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000180326702 282659724 /nfs/dbraw/zinc/65/97/24/282659724.db2.gz GXKXJOUOSCXOOX-LLVKDONJSA-N 0 0 309.366 0.902 10 0 DCAERN NC(=O)NCCC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000150749263 186063044 /nfs/dbraw/zinc/06/30/44/186063044.db2.gz VZXPEFFOQKSBCF-SECBINFHSA-N 0 0 312.320 0.718 10 0 DCAERN Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2cnccn2)cc1 ZINC000072321677 191121937 /nfs/dbraw/zinc/12/19/37/191121937.db2.gz LWLVIVBMQNYFSC-DTZQCDIJSA-N 0 0 313.357 0.793 10 0 DCAERN O=C(NCc1cccc(CO)c1)N[C@@H]1CCc2ncnn2C1 ZINC000171870741 197998165 /nfs/dbraw/zinc/99/81/65/197998165.db2.gz QTYOTNFUACXWSX-CYBMUJFWSA-N 0 0 301.350 0.585 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCNC(=O)[C@H]2C(C)C)CC1 ZINC000179492669 290933117 /nfs/dbraw/zinc/93/31/17/290933117.db2.gz VNRDFEBRCAUXID-WXRRBKDZSA-N 0 0 310.394 0.949 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCOC[C@@]23CCOC3)CC1 ZINC000337722774 290932997 /nfs/dbraw/zinc/93/29/97/290932997.db2.gz KVSDCMJIVVFVTN-ZUEPYMLJSA-N 0 0 311.378 0.984 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@@H]2COc3ccccc3C2)CCC1=O ZINC000172391121 198089046 /nfs/dbraw/zinc/08/90/46/198089046.db2.gz OEGGGBCAUYVIAW-STQMWFEESA-N 0 0 303.362 0.910 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1ccccn1)c1cccs1 ZINC000172416396 198093996 /nfs/dbraw/zinc/09/39/96/198093996.db2.gz MZUUPTTUKWHXLL-OAHLLOKOSA-N 0 0 319.386 0.897 10 0 DCAERN O=C(CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)NC1CC1 ZINC000172700392 198138391 /nfs/dbraw/zinc/13/83/91/198138391.db2.gz CWBVJKWIZQJUCI-CHWSQXEVSA-N 0 0 316.357 0.956 10 0 DCAERN CC(=O)NCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172711911 198139854 /nfs/dbraw/zinc/13/98/54/198139854.db2.gz HWGOCHCPQMZSFB-UKRRQHHQSA-N 0 0 318.377 0.243 10 0 DCAERN CCSc1nc2n(n1)CC(C(=O)N1CCOCC1)=C(C)N2 ZINC000072466301 191174126 /nfs/dbraw/zinc/17/41/26/191174126.db2.gz VBNSWVZQCZNGDB-UHFFFAOYSA-N 0 0 309.395 0.948 10 0 DCAERN Cc1cc(C)cc(C[C@@H](C)NC(=O)CN2CC(=O)NC2=O)c1 ZINC000172853591 198158268 /nfs/dbraw/zinc/15/82/68/198158268.db2.gz GDJURXYQXRKJQC-GFCCVEGCSA-N 0 0 303.362 0.902 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922277 198168314 /nfs/dbraw/zinc/16/83/14/198168314.db2.gz LJQYOSYYCTYZMG-CQSZACIVSA-N 0 0 315.377 0.387 10 0 DCAERN C[C@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1cccc(F)c1 ZINC000173086487 198183780 /nfs/dbraw/zinc/18/37/80/198183780.db2.gz AGBTYXNUJADKJD-VIFPVBQESA-N 0 0 305.309 0.965 10 0 DCAERN CC(C)(NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(N)=O ZINC000173034571 198179608 /nfs/dbraw/zinc/17/96/08/198179608.db2.gz IAEQNVQQKGRAFW-QWRGUYRKSA-N 0 0 304.346 0.941 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@@]4(CCOC4)C3)cc21 ZINC000186101769 282897821 /nfs/dbraw/zinc/89/78/21/282897821.db2.gz KLCLMQPIYMOKOR-HNNXBMFYSA-N 0 0 302.334 0.600 10 0 DCAERN COCC[C@](C)(O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000174864011 198394572 /nfs/dbraw/zinc/39/45/72/198394572.db2.gz ZHZCIAGTYBGJRS-INIZCTEOSA-N 0 0 319.361 0.300 10 0 DCAERN CCCn1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000182601300 199463715 /nfs/dbraw/zinc/46/37/15/199463715.db2.gz BFWGVJMFAHUQSN-UHFFFAOYSA-N 0 0 322.390 0.871 10 0 DCAERN C[C@@H](CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)CS(C)(=O)=O ZINC000119062705 295888800 /nfs/dbraw/zinc/88/88/00/295888800.db2.gz NJAYQMDDVAUTLV-CMPLNLGQSA-N 0 0 309.453 0.319 10 0 DCAERN COC(=O)CCNC(=O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106370694 291040556 /nfs/dbraw/zinc/04/05/56/291040556.db2.gz HRCHILSNSGNSHO-UHFFFAOYSA-N 0 0 322.409 0.581 10 0 DCAERN O=C([O-])C[NH+]1CCN(c2nc3ccccc3n3cnnc23)CC1 ZINC000073737108 191349894 /nfs/dbraw/zinc/34/98/94/191349894.db2.gz FQRQMBCXRQDHPK-UHFFFAOYSA-N 0 0 312.333 0.484 10 0 DCAERN O=C(C/C=C/c1ccc(F)cc1)NCCN1C(=O)CNC1=O ZINC000081727140 192317347 /nfs/dbraw/zinc/31/73/47/192317347.db2.gz YQJPBCGGGMPCPF-OWOJBTEDSA-N 0 0 305.309 0.897 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000408071929 291113021 /nfs/dbraw/zinc/11/30/21/291113021.db2.gz DQIYBMKBQWIJAU-JBLDHEPKSA-N 0 0 312.366 0.080 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000177911885 198787024 /nfs/dbraw/zinc/78/70/24/198787024.db2.gz KFLOGMWEKROIMW-MRXNPFEDSA-N 0 0 317.345 0.741 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCCC(=O)N1CCCCC1 ZINC000177992923 198800912 /nfs/dbraw/zinc/80/09/12/198800912.db2.gz ADXPDKHWZOEVNL-UHFFFAOYSA-N 0 0 318.377 0.330 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCC1=O ZINC000081497620 283237773 /nfs/dbraw/zinc/23/77/73/283237773.db2.gz KWVHPHQTJAEJNE-KCJUWKMLSA-N 0 0 309.288 0.316 10 0 DCAERN C[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)C[C@H](C)O ZINC000178790986 198931939 /nfs/dbraw/zinc/93/19/39/198931939.db2.gz UPPGBUPDWBECEQ-ZJUUUORDSA-N 0 0 300.380 0.471 10 0 DCAERN O=C(CN1CCOCC1)Nc1ccc(N[C@@H]2CCNC2=O)cc1 ZINC000179061219 198975999 /nfs/dbraw/zinc/97/59/99/198975999.db2.gz IXOOTOZBIHCGAE-CQSZACIVSA-N 0 0 318.377 0.258 10 0 DCAERN Cc1nc(C(=O)NCCS(=O)(=O)NC(C)C)c(C)s1 ZINC000179271036 199007979 /nfs/dbraw/zinc/00/79/79/199007979.db2.gz SXZQGWCFSGMHOZ-UHFFFAOYSA-N 0 0 305.425 0.818 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000179453625 199038108 /nfs/dbraw/zinc/03/81/08/199038108.db2.gz IOPLIVAGLIDKIQ-QWHCGFSZSA-N 0 0 312.391 0.508 10 0 DCAERN O=S(=O)(NN[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000005895935 181293596 /nfs/dbraw/zinc/29/35/96/181293596.db2.gz WGZMXDITLPEUGY-VIFPVBQESA-N 0 0 324.811 0.310 10 0 DCAERN O=C(Nc1ccc(Cl)cc1)N[C@H]1CS(=O)(=O)C[C@H]1O ZINC000005895612 181293764 /nfs/dbraw/zinc/29/37/64/181293764.db2.gz YENZQJMWSCJDCZ-VHSXEESVSA-N 0 0 304.755 0.619 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCOC3)cc21 ZINC000180553343 199174796 /nfs/dbraw/zinc/17/47/96/199174796.db2.gz ALQROIWAUXQZHF-CYBMUJFWSA-N 0 0 303.362 0.913 10 0 DCAERN COCc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)o1 ZINC000180650265 199190814 /nfs/dbraw/zinc/19/08/14/199190814.db2.gz LADUSZUCDUHMML-ZWNOBZJWSA-N 0 0 310.350 0.792 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCCCCCO)c1 ZINC000180665086 199193476 /nfs/dbraw/zinc/19/34/76/199193476.db2.gz CUIZICOIQVMWDD-UHFFFAOYSA-N 0 0 300.380 0.617 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@H]1COc2ccccc21 ZINC000181129610 199255280 /nfs/dbraw/zinc/25/52/80/199255280.db2.gz FGSULRZILLPJGW-LBPRGKRZSA-N 0 0 315.333 0.572 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135260647 295987427 /nfs/dbraw/zinc/98/74/27/295987427.db2.gz IAOSGYNILCMZBN-UWVGGRQHSA-N 0 0 314.411 0.472 10 0 DCAERN C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1CCCC1 ZINC000172137030 237144089 /nfs/dbraw/zinc/14/40/89/237144089.db2.gz BBAYFRNJGOZTKN-JTQLQIEISA-N 0 0 303.428 0.597 10 0 DCAERN COC(C)(C)C(=O)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171591867 237132839 /nfs/dbraw/zinc/13/28/39/237132839.db2.gz LBZLQXQWOPZKDI-UHFFFAOYSA-N 0 0 318.381 0.506 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)CC2 ZINC000171342553 237135530 /nfs/dbraw/zinc/13/55/30/237135530.db2.gz JWLPGMXXSWAPCD-CHWSQXEVSA-N 0 0 319.409 0.665 10 0 DCAERN CO[C@@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(C)(C)C ZINC000174411201 237170398 /nfs/dbraw/zinc/17/03/98/237170398.db2.gz BGTQAVUONRAYMN-MNOVXSKESA-N 0 0 306.428 0.876 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000176108795 237192825 /nfs/dbraw/zinc/19/28/25/237192825.db2.gz AMYNYSKIXQMDMA-VXGBXAGGSA-N 0 0 303.428 0.852 10 0 DCAERN COc1cc(N2CCN(C(=O)C3(O)CCCC3)CC2)ncn1 ZINC000184319773 237285290 /nfs/dbraw/zinc/28/52/90/237285290.db2.gz DCBHGWQUYVEJFY-UHFFFAOYSA-N 0 0 306.366 0.439 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCN1CCO ZINC000187274935 200087539 /nfs/dbraw/zinc/08/75/39/200087539.db2.gz MUCNARVYHUUWBJ-LLVKDONJSA-N 0 0 303.366 0.107 10 0 DCAERN Cc1nnc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C1CC1 ZINC000181586108 237265003 /nfs/dbraw/zinc/26/50/03/237265003.db2.gz FJGWBZQOARIGFA-JTQLQIEISA-N 0 0 313.427 0.387 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187340194 200098026 /nfs/dbraw/zinc/09/80/26/200098026.db2.gz DHHJDQWTDJOWLL-SECBINFHSA-N 0 0 316.379 0.923 10 0 DCAERN COCc1noc([C@H](C)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000181995007 237271628 /nfs/dbraw/zinc/27/16/28/237271628.db2.gz MVERWFFQBZBZGD-VIFPVBQESA-N 0 0 303.384 0.786 10 0 DCAERN COc1ccc(C(=O)NCC2(CCO)CC2)cc1-n1cnnn1 ZINC000187917184 237361037 /nfs/dbraw/zinc/36/10/37/237361037.db2.gz JPDSLAZBECPYHS-UHFFFAOYSA-N 0 0 317.349 0.563 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)NCC1(CCO)CC1 ZINC000188029439 237364190 /nfs/dbraw/zinc/36/41/90/237364190.db2.gz FGFKNXVWECTJNR-UHFFFAOYSA-N 0 0 301.350 0.619 10 0 DCAERN NC(=O)c1coc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000187980326 200186067 /nfs/dbraw/zinc/18/60/67/200186067.db2.gz DVZDUXJYSNODCB-NSHDSACASA-N 0 0 321.255 0.587 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCNC(=O)C1CCC1 ZINC000190227754 237424218 /nfs/dbraw/zinc/42/42/18/237424218.db2.gz ZGZAMYMDCVIHIY-ZYHUDNBSSA-N 0 0 304.412 0.390 10 0 DCAERN COc1cccc(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000188203476 200209232 /nfs/dbraw/zinc/20/92/32/200209232.db2.gz CCUWTBSFNDGILI-ZDUSSCGKSA-N 0 0 303.362 0.902 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)C1(O)CCC1 ZINC000281109974 216085774 /nfs/dbraw/zinc/08/57/74/216085774.db2.gz DVPKZJSLTQSUKO-RYUDHWBXSA-N 0 0 308.357 0.767 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H](C)C[S@@](C)=O)cc1C ZINC000154016653 291210213 /nfs/dbraw/zinc/21/02/13/291210213.db2.gz ULFIQDKUMDOEPP-GTJPDFRWSA-N 0 0 310.419 0.916 10 0 DCAERN CN(CCC1CC1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000154147431 291211406 /nfs/dbraw/zinc/21/14/06/291211406.db2.gz RDUSZPKSIDFSHE-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN CCN1C(=O)[C@@H](CC(N)=O)N(NC(=O)c2ccccc2)C1=S ZINC000005952503 181299828 /nfs/dbraw/zinc/29/98/28/181299828.db2.gz SOKQYYXEGCOVTC-SNVBAGLBSA-N 0 0 320.374 0.024 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000154472605 291214031 /nfs/dbraw/zinc/21/40/31/291214031.db2.gz ARSSQVLXNNLMSQ-ZDUSSCGKSA-N 0 0 319.409 0.928 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000155158976 291217947 /nfs/dbraw/zinc/21/79/47/291217947.db2.gz YOYUJAFORUDYSX-LBPRGKRZSA-N 0 0 311.426 0.912 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000155159094 291218087 /nfs/dbraw/zinc/21/80/87/291218087.db2.gz YOYUJAFORUDYSX-GFCCVEGCSA-N 0 0 311.426 0.912 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000156051356 291223380 /nfs/dbraw/zinc/22/33/80/291223380.db2.gz CIUHDSJQDWSPAU-GFCCVEGCSA-N 0 0 311.426 0.470 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246694301 238160134 /nfs/dbraw/zinc/16/01/34/238160134.db2.gz MYOHLLWHGFNYPE-YNEHKIRRSA-N 0 0 306.428 0.194 10 0 DCAERN COCCN(CC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000161608951 291242144 /nfs/dbraw/zinc/24/21/44/291242144.db2.gz CBJBQFFIVQZBAV-LLVKDONJSA-N 0 0 306.428 0.037 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000163623313 291246358 /nfs/dbraw/zinc/24/63/58/291246358.db2.gz ZPDYNGOPTHXDRB-WDEREUQCSA-N 0 0 304.350 0.441 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCCc2ccsc2)cn1 ZINC000163506458 291246194 /nfs/dbraw/zinc/24/61/94/291246194.db2.gz QSKZIVUDSXRKKR-UHFFFAOYSA-N 0 0 319.390 0.902 10 0 DCAERN CN(C)c1nc(N)nc(COc2ccccc2-c2nc[nH]n2)n1 ZINC000165361478 291248300 /nfs/dbraw/zinc/24/83/00/291248300.db2.gz JTOPCZTUEDJJMZ-UHFFFAOYSA-N 0 0 312.337 0.884 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c1 ZINC000408356508 239266351 /nfs/dbraw/zinc/26/63/51/239266351.db2.gz YTRXDSVPWOESOJ-QWRGUYRKSA-N 0 0 317.436 0.798 10 0 DCAERN O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000247868544 202695455 /nfs/dbraw/zinc/69/54/55/202695455.db2.gz PTYNUYXSZRYWDI-KGLIPLIRSA-N 0 0 309.329 0.892 10 0 DCAERN Cn1cc(NC(=O)[C@H]2CCCC(F)(F)C2)c(=O)n(C)c1=O ZINC000281782988 216541565 /nfs/dbraw/zinc/54/15/65/216541565.db2.gz DXVRINCOJHQMNL-QMMMGPOBSA-N 0 0 301.293 0.848 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1 ZINC000281800643 216552431 /nfs/dbraw/zinc/55/24/31/216552431.db2.gz LRKWSYZLSHFJQN-YGRLFVJLSA-N 0 0 303.362 0.924 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1[C@H]1CCOC1 ZINC000275406230 212312943 /nfs/dbraw/zinc/31/29/43/212312943.db2.gz BCMVOURFGPMBIC-VHSXEESVSA-N 0 0 304.350 0.407 10 0 DCAERN Cn1cccc(NC(=O)C(=O)NCCOCC2CCC2)c1=O ZINC000567015719 291333161 /nfs/dbraw/zinc/33/31/61/291333161.db2.gz VSMVXLANIVGZNK-UHFFFAOYSA-N 0 0 307.350 0.257 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1cnn(C)c1 ZINC000442130037 240539859 /nfs/dbraw/zinc/53/98/59/240539859.db2.gz WZXXKQHAGQHAAA-SNVBAGLBSA-N 0 0 316.365 0.697 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CCCO ZINC000443002502 240554607 /nfs/dbraw/zinc/55/46/07/240554607.db2.gz UVDXQOMBBKHTEL-NSHDSACASA-N 0 0 300.380 0.194 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](OC)[C@H](C)C2)C1 ZINC000454680321 240802803 /nfs/dbraw/zinc/80/28/03/240802803.db2.gz OLMSHDCNCLFLAM-AGIUHOORSA-N 0 0 312.414 0.857 10 0 DCAERN Cc1nc(CNC(=O)C2CCN(CC(N)=O)CC2)sc1C ZINC000091849161 193116939 /nfs/dbraw/zinc/11/69/39/193116939.db2.gz FZCGJDGPTOWPDM-UHFFFAOYSA-N 0 0 310.423 0.573 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@H](C)O2)c1 ZINC000457429972 241006130 /nfs/dbraw/zinc/00/61/30/241006130.db2.gz JRWKVWRPKCUIQU-JQWIXIFHSA-N 0 0 312.391 0.892 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCCCO2)CC12COC2 ZINC000457825620 241042132 /nfs/dbraw/zinc/04/21/32/241042132.db2.gz VVWRGYLYZRYYOK-WFASDCNBSA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccnnc2)CC12COC2 ZINC000459629429 241058255 /nfs/dbraw/zinc/05/82/55/241058255.db2.gz NSBVWEBEMUESCU-LLVKDONJSA-N 0 0 306.322 0.520 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCN(c2ncccc2F)CC1 ZINC000408270703 296102020 /nfs/dbraw/zinc/10/20/20/296102020.db2.gz JCXMUIXIRKZEKN-CYBMUJFWSA-N 0 0 320.368 0.928 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000170046194 283993674 /nfs/dbraw/zinc/99/36/74/283993674.db2.gz MWTILYFTYJRIPQ-QMMMGPOBSA-N 0 0 316.335 0.095 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CC(=O)N1C ZINC000282084417 216748655 /nfs/dbraw/zinc/74/86/55/216748655.db2.gz CRSIZSFVEHQVIW-LBPRGKRZSA-N 0 0 302.378 0.985 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189369304 296140351 /nfs/dbraw/zinc/14/03/51/296140351.db2.gz HTJGXHBMPMHYTB-LLVKDONJSA-N 0 0 318.439 0.874 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(CC(=O)N2CCN(C)CC2)C1 ZINC000093170426 193210097 /nfs/dbraw/zinc/21/00/97/193210097.db2.gz XJTLNLPXNDLKEZ-AWEZNQCLSA-N 0 0 310.442 0.141 10 0 DCAERN C[C@@H]1CN(C(=O)c2csc(S(C)(=O)=O)c2)CC(=O)N1C ZINC000282489553 217033602 /nfs/dbraw/zinc/03/36/02/217033602.db2.gz WEDKVPMIUOXSDF-MRVPVSSYSA-N 0 0 316.404 0.454 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000265475006 204640679 /nfs/dbraw/zinc/64/06/79/204640679.db2.gz ZWNCZWYEUHZDBU-ZETCQYMHSA-N 0 0 319.412 0.256 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)Cc1ccccc1F ZINC000282607507 217121339 /nfs/dbraw/zinc/12/13/39/217121339.db2.gz RFLFCARGFIBCOI-BXKDBHETSA-N 0 0 300.355 0.912 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000374707900 284321520 /nfs/dbraw/zinc/32/15/20/284321520.db2.gz SPICRKSEBJJREZ-QWRGUYRKSA-N 0 0 310.398 0.354 10 0 DCAERN O=S(=O)(N1CCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000265901270 204955129 /nfs/dbraw/zinc/95/51/29/204955129.db2.gz UTNYXZROSIJNLK-UHFFFAOYSA-N 0 0 311.411 0.694 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000266116244 205111281 /nfs/dbraw/zinc/11/12/81/205111281.db2.gz NUPKVIZKNBLMJL-AGIUHOORSA-N 0 0 316.357 0.908 10 0 DCAERN O=CN1CCN(CC(=O)N2N=CC[C@@H]2c2ccccc2)CC1 ZINC000017024955 182068432 /nfs/dbraw/zinc/06/84/32/182068432.db2.gz DAKVXDIBVRSYRR-OAHLLOKOSA-N 0 0 300.362 0.720 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H](C)O1 ZINC000158016392 284395197 /nfs/dbraw/zinc/39/51/97/284395197.db2.gz IFKCJIQIWUJEPO-BXKDBHETSA-N 0 0 307.350 0.691 10 0 DCAERN CNC(=O)[C@@H](C)Sc1nnc2n1c1ccccc1c(=O)n2C ZINC000027816851 182492581 /nfs/dbraw/zinc/49/25/81/182492581.db2.gz GMLGACWBNUJTPJ-MRVPVSSYSA-N 0 0 317.374 0.808 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2ccnc3c2nnn3C)no1 ZINC000573813043 291657196 /nfs/dbraw/zinc/65/71/96/291657196.db2.gz UNLGTNUECUKSCE-UHFFFAOYSA-N 0 0 315.337 0.974 10 0 DCAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000408429799 296262908 /nfs/dbraw/zinc/26/29/08/296262908.db2.gz MNMVLMVWSZLMHD-SSDOTTSWSA-N 0 0 323.296 0.609 10 0 DCAERN CN1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 ZINC000040563495 183103097 /nfs/dbraw/zinc/10/30/97/183103097.db2.gz ZPRGAOPQGHNEDR-UHFFFAOYSA-N 0 0 300.362 0.630 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(C)(C(N)=O)C1 ZINC000574160770 291677473 /nfs/dbraw/zinc/67/74/73/291677473.db2.gz LEFKJDONFCMDBM-CQSZACIVSA-N 0 0 315.373 0.294 10 0 DCAERN COC(=O)C1(NCc2cccs2)CCS(=O)(=O)CC1 ZINC000042333057 183255008 /nfs/dbraw/zinc/25/50/08/183255008.db2.gz VYBAPNVSTKBXIR-UHFFFAOYSA-N 0 0 303.405 0.958 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N(CCC(N)=S)C1CC1 ZINC000042531332 183281997 /nfs/dbraw/zinc/28/19/97/183281997.db2.gz NJNWEKZYDAHKOW-UHFFFAOYSA-N 0 0 308.425 0.410 10 0 DCAERN CN(CCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042811556 183311219 /nfs/dbraw/zinc/31/12/19/183311219.db2.gz FEACJGBKKJQZCE-LBPRGKRZSA-N 0 0 304.350 0.227 10 0 DCAERN COc1cc(=O)n(C)c2c(OC[C@H](O)[C@](C)(O)OC)cccc12 ZINC000044559700 183422802 /nfs/dbraw/zinc/42/28/02/183422802.db2.gz COMTYGQAMQKQCJ-XJKSGUPXSA-N 0 0 323.345 0.642 10 0 DCAERN COCCCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000044983785 183473690 /nfs/dbraw/zinc/47/36/90/183473690.db2.gz PQIMIUZQZNNELD-JTQLQIEISA-N 0 0 300.380 0.938 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCCCNc2ccccn2)C1 ZINC000105279818 194092506 /nfs/dbraw/zinc/09/25/06/194092506.db2.gz DCOIYIJSMCGIJR-AWEZNQCLSA-N 0 0 321.425 0.904 10 0 DCAERN CC(C)(C)NC(=O)C[S@](=O)Cc1nnnn1-c1ccccc1 ZINC000105672901 194119268 /nfs/dbraw/zinc/11/92/68/194119268.db2.gz FFIPBKHLVUTRFB-QFIPXVFZSA-N 0 0 321.406 0.826 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)NCc1ccco1 ZINC000105798403 194130015 /nfs/dbraw/zinc/13/00/15/194130015.db2.gz AXJXKUDECVMAJJ-UHFFFAOYSA-N 0 0 315.377 0.898 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1nncs1 ZINC000105799861 194132669 /nfs/dbraw/zinc/13/26/69/194132669.db2.gz XUEZUIOQDGFTPP-UHFFFAOYSA-N 0 0 319.394 0.479 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CCN3C(=O)CCC3=O)CC2)n1 ZINC000105864556 194150727 /nfs/dbraw/zinc/15/07/27/194150727.db2.gz BCMGKPPBSSNGJK-LLVKDONJSA-N 0 0 321.381 0.206 10 0 DCAERN CCOc1ccnc(N2CCN(CCS(C)(=O)=O)CC2)n1 ZINC000105903454 194167054 /nfs/dbraw/zinc/16/70/54/194167054.db2.gz TUPXOSANHSUHMJ-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000106504397 194219763 /nfs/dbraw/zinc/21/97/63/194219763.db2.gz NIUPKLBLRCNXCF-NSHDSACASA-N 0 0 300.318 0.274 10 0 DCAERN C[C@@H]1CCCCCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000408170497 296302405 /nfs/dbraw/zinc/30/24/05/296302405.db2.gz WVEFLJWELOIHHB-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000110341944 194323311 /nfs/dbraw/zinc/32/33/11/194323311.db2.gz WDGOIIWEGGDEHB-VIFPVBQESA-N 0 0 311.363 0.012 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3=COCCO3)CCO2)n1 ZINC000110900130 194368128 /nfs/dbraw/zinc/36/81/28/194368128.db2.gz AVVTVJWRNKNWAB-ZDUSSCGKSA-N 0 0 307.350 0.616 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083395 194390274 /nfs/dbraw/zinc/39/02/74/194390274.db2.gz TXZXVEFAIRIZNV-GJZGRUSLSA-N 0 0 323.393 0.696 10 0 DCAERN CN(C)c1nc(Cl)nc(N[C@@]2(C)CCS(=O)(=O)C2)n1 ZINC000061541044 184174047 /nfs/dbraw/zinc/17/40/47/184174047.db2.gz ORGOOQNQHHYDTO-JTQLQIEISA-N 0 0 305.791 0.580 10 0 DCAERN CCN1CCN(C(=O)Cn2nc(C)c3c(C)onc3c2=O)CC1 ZINC000064842230 184304510 /nfs/dbraw/zinc/30/45/10/184304510.db2.gz DRUGIGVUMWIEJH-UHFFFAOYSA-N 0 0 319.365 0.165 10 0 DCAERN CN(C)c1nc(C(=O)NCc2ccccn2)nc2c1cnn2C ZINC000065312155 184324668 /nfs/dbraw/zinc/32/46/68/184324668.db2.gz YOVWLMSWIWJNBE-UHFFFAOYSA-N 0 0 311.349 0.754 10 0 DCAERN CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccnc2ccccc12 ZINC000065434147 184344259 /nfs/dbraw/zinc/34/42/59/184344259.db2.gz SKLAOSXLAPDPLQ-HNNXBMFYSA-N 0 0 312.373 0.671 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000112890100 194532376 /nfs/dbraw/zinc/53/23/76/194532376.db2.gz JGWUNFVXTOJGGI-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)C(N)=O ZINC000112907011 194534299 /nfs/dbraw/zinc/53/42/99/194534299.db2.gz SEJNFVFMYAIDAP-PWSUYJOCSA-N 0 0 306.366 0.823 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNC(=O)C1CC1 ZINC000175329891 252601594 /nfs/dbraw/zinc/60/15/94/252601594.db2.gz QUAPVYZZFPANJM-JTQLQIEISA-N 0 0 321.425 0.793 10 0 DCAERN COCCN1CCCN(C(=O)CCc2c(C)noc2C)CC1=O ZINC000191234348 285014765 /nfs/dbraw/zinc/01/47/65/285014765.db2.gz AUWIEKGAVSNVQF-UHFFFAOYSA-N 0 0 323.393 0.931 10 0 DCAERN C[C@@H](CNC(=O)c1c2n(c(=O)n1C)CCCC2)Cn1cccn1 ZINC000333171108 252689677 /nfs/dbraw/zinc/68/96/77/252689677.db2.gz KIEVQTTZJBOIJB-LBPRGKRZSA-N 0 0 317.393 0.786 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@]2(C)C[C@H]2F)C[C@@H]1c1cnn(C)c1 ZINC000333236629 252696563 /nfs/dbraw/zinc/69/65/63/252696563.db2.gz DCIUAGNYGADCFB-NWJSVONSSA-N 0 0 308.357 0.456 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000156855873 532989272 /nfs/dbraw/zinc/98/92/72/532989272.db2.gz VNKZCNVNLQZOHA-CABZTGNLSA-N 0 0 324.299 0.007 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccc(Br)o2)C1 ZINC000336714440 252795568 /nfs/dbraw/zinc/79/55/68/252795568.db2.gz RYRRMIQZIVAZET-JTQLQIEISA-N 0 0 303.112 0.104 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000337764945 252891753 /nfs/dbraw/zinc/89/17/53/252891753.db2.gz GLWFHOPQOSQKIZ-LDYMZIIASA-N 0 0 317.349 0.374 10 0 DCAERN Cn1c2ccccc2c(Cl)c1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000286438600 218989211 /nfs/dbraw/zinc/98/92/11/218989211.db2.gz HUHXHFVDJXLWQX-HNNXBMFYSA-N 0 0 321.764 0.894 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000286480149 219012577 /nfs/dbraw/zinc/01/25/77/219012577.db2.gz LONUVUPSELXACQ-LLVKDONJSA-N 0 0 304.133 0.451 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1C(=O)c1ccc2nnc(C)n2c1 ZINC000344629414 253809782 /nfs/dbraw/zinc/80/97/82/253809782.db2.gz MXYBMUNRYHSHER-CHWSQXEVSA-N 0 0 304.350 0.914 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000345306596 253908665 /nfs/dbraw/zinc/90/86/65/253908665.db2.gz KSRIALFTOHQXBP-KBPBESRZSA-N 0 0 316.361 0.553 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC[C@H](C)[S@@](C)=O)on1 ZINC000346158382 254017423 /nfs/dbraw/zinc/01/74/23/254017423.db2.gz UOQQHYLUFZDBHX-FFVOIRBGSA-N 0 0 302.352 0.738 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cc(C)cnc2N)[C@H](C)C1 ZINC000347189606 254137197 /nfs/dbraw/zinc/13/71/97/254137197.db2.gz HLMVXRFPENITJW-SNVBAGLBSA-N 0 0 312.395 0.214 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](F)C[C@@H]2C(N)=O)nnn1CC1CCCC1 ZINC000347248215 254141693 /nfs/dbraw/zinc/14/16/93/254141693.db2.gz DVLWNANOAZZWKK-NWDGAFQWSA-N 0 0 323.372 0.815 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000347267698 254143321 /nfs/dbraw/zinc/14/33/21/254143321.db2.gz UDFJQPWAYLZZGI-KBPBESRZSA-N 0 0 316.336 0.969 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000350009836 254308399 /nfs/dbraw/zinc/30/83/99/254308399.db2.gz KLEIVMFJFGZXSM-HLTSFMKQSA-N 0 0 320.333 0.243 10 0 DCAERN CCn1nc(C(C)C)cc1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350615071 254318995 /nfs/dbraw/zinc/31/89/95/254318995.db2.gz ARSWKZXWKWNLCC-SECBINFHSA-N 0 0 302.400 0.433 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)S(N)(=O)=O ZINC000350620807 254320013 /nfs/dbraw/zinc/32/00/13/254320013.db2.gz OPUFNQDREPMRFY-CPCISQLKSA-N 0 0 318.782 0.437 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000328665448 296410851 /nfs/dbraw/zinc/41/08/51/296410851.db2.gz CEVCUWQYOXHGLQ-WOPDTQHZSA-N 0 0 301.412 0.459 10 0 DCAERN COc1cc2nc(NCCn3ccnn3)nc(N)c2cc1OC ZINC000302181907 533178224 /nfs/dbraw/zinc/17/82/24/533178224.db2.gz OAKVQJBKNALCDZ-UHFFFAOYSA-N 0 0 315.337 0.933 10 0 DCAERN C[C@H](CNC(=O)CNC(=O)c1cccnc1)Cn1cccn1 ZINC000152165142 196782007 /nfs/dbraw/zinc/78/20/07/196782007.db2.gz GPGOKHGOLNYBQR-GFCCVEGCSA-N 0 0 301.350 0.460 10 0 DCAERN Cc1ccn(-c2ccccc2CNC(=O)[C@H](C)NC(N)=O)n1 ZINC000151960444 196752400 /nfs/dbraw/zinc/75/24/00/196752400.db2.gz WGECEFPHCZNVGV-NSHDSACASA-N 0 0 301.350 0.854 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2N1C ZINC000248005732 257111320 /nfs/dbraw/zinc/11/13/20/257111320.db2.gz BUORFLIEKVPECN-MELADBBJSA-N 0 0 302.378 0.281 10 0 DCAERN CNC(=O)C[C@@H]1CN(C(=O)c2cc(C)ccn2)Cc2ccnn21 ZINC000247826539 257116844 /nfs/dbraw/zinc/11/68/44/257116844.db2.gz JHGULBCXRJBDEO-CYBMUJFWSA-N 0 0 313.361 0.920 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(c3ncccn3)C[C@H]2O1 ZINC000247817559 257117129 /nfs/dbraw/zinc/11/71/29/257117129.db2.gz BVUPHYNUPZFXPP-FRRDWIJNSA-N 0 0 306.366 0.223 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)CC3CC3)C[C@H]21 ZINC000247541075 257118311 /nfs/dbraw/zinc/11/83/11/257118311.db2.gz SGTLSJBKZWZLIY-VXGBXAGGSA-N 0 0 302.396 0.048 10 0 DCAERN CS(=O)(=O)N1CC[C@H]2OCCN(Cc3ccncc3)[C@@H]2C1 ZINC000247487122 257119124 /nfs/dbraw/zinc/11/91/24/257119124.db2.gz AIDBOGWXHPOEAZ-ZIAGYGMSSA-N 0 0 311.407 0.316 10 0 DCAERN O=S1(=O)CC[C@H](COCC2CC2)C12CN(c1ncccn1)C2 ZINC000247335863 257120126 /nfs/dbraw/zinc/12/01/26/257120126.db2.gz QSRYPAIEFXBZJD-CYBMUJFWSA-N 0 0 323.418 0.897 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2cccs2)C1 ZINC000189828704 335063805 /nfs/dbraw/zinc/06/38/05/335063805.db2.gz YTLQKSLOLCELMB-UHFFFAOYSA-N 0 0 310.379 0.008 10 0 DCAERN COCCCCS(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000184607503 533271315 /nfs/dbraw/zinc/27/13/15/533271315.db2.gz OUEDKUJFRGJWPM-ZDUSSCGKSA-N 0 0 317.411 0.340 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000312614924 533288146 /nfs/dbraw/zinc/28/81/46/533288146.db2.gz ZYSBVJQSHIUVIC-STQMWFEESA-N 0 0 303.355 0.737 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1cc(C(N)=O)co1 ZINC000187712852 533426471 /nfs/dbraw/zinc/42/64/71/533426471.db2.gz FOYAGWZMPVGQMZ-VXGBXAGGSA-N 0 0 300.380 0.824 10 0 DCAERN COc1ccc(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)cn1 ZINC000299739936 533558725 /nfs/dbraw/zinc/55/87/25/533558725.db2.gz TWSIJNKCGKRLHP-LBPRGKRZSA-N 0 0 316.365 0.618 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)c1=O ZINC000275727080 130370278 /nfs/dbraw/zinc/37/02/78/130370278.db2.gz OSGLJNKURNSJCR-CHWSQXEVSA-N 0 0 320.393 0.434 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000275834124 130394866 /nfs/dbraw/zinc/39/48/66/130394866.db2.gz SUEHFSMQMOIQMP-AWEZNQCLSA-N 0 0 319.405 0.949 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)nc1 ZINC000283646457 131010394 /nfs/dbraw/zinc/01/03/94/131010394.db2.gz CFUJVXIIVMTOGW-LLVKDONJSA-N 0 0 305.338 0.760 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000283942385 131035478 /nfs/dbraw/zinc/03/54/78/131035478.db2.gz JURZUFGTUGKVOY-GJZGRUSLSA-N 0 0 321.425 0.696 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214083 131059786 /nfs/dbraw/zinc/05/97/86/131059786.db2.gz ZRLKFGGLBZBCLI-CABCVRRESA-N 0 0 304.394 0.739 10 0 DCAERN C[C@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000284238972 131062006 /nfs/dbraw/zinc/06/20/06/131062006.db2.gz FMSAPTRRLNUHPN-DZGCQCFKSA-N 0 0 322.409 0.116 10 0 DCAERN Cc1c(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cnn1CC(C)C ZINC000284464992 131082981 /nfs/dbraw/zinc/08/29/81/131082981.db2.gz AWGARLRPIOJPQI-OAHLLOKOSA-N 0 0 318.381 0.699 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2COc3ccccc3C2)C1 ZINC000284607671 131097087 /nfs/dbraw/zinc/09/70/87/131097087.db2.gz CBYHHRMZXJNNKF-PBHICJAKSA-N 0 0 318.373 0.480 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2ccc(Br)cn2)C1 ZINC000284645647 131099642 /nfs/dbraw/zinc/09/96/42/131099642.db2.gz OJCCDKXRRDENQB-LLVKDONJSA-N 0 0 300.156 0.661 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2cccc(C)c2)C1 ZINC000284645590 131099774 /nfs/dbraw/zinc/09/97/74/131099774.db2.gz PBJIWSNOQVFJBF-GOEBONIOSA-N 0 0 322.405 0.572 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000284770418 131110078 /nfs/dbraw/zinc/11/00/78/131110078.db2.gz PPBVQSBDIAOIGS-BXKDBHETSA-N 0 0 300.355 0.876 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000284825036 131114072 /nfs/dbraw/zinc/11/40/72/131114072.db2.gz CEOGQYVXSNEFIL-UVWXRNBGSA-N 0 0 324.327 0.907 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854354 131116549 /nfs/dbraw/zinc/11/65/49/131116549.db2.gz HUHCYMJFJYDNGT-ZIAGYGMSSA-N 0 0 318.377 0.722 10 0 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PWWXKVMZKDJMSZ-IUCAKERBSA-N 0 0 312.320 0.717 10 0 DCAERN Cc1ccc(CNC(=O)C(=O)NCCCN2CCCC2=O)cc1 ZINC000009908633 395685709 /nfs/dbraw/zinc/68/57/09/395685709.db2.gz PKZJVNHCLXAWJL-UHFFFAOYSA-N 0 0 317.389 0.740 10 0 DCAERN CC(=O)NCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000026188470 395694089 /nfs/dbraw/zinc/69/40/89/395694089.db2.gz BRUBTYCEDGQTGM-UHFFFAOYSA-N 0 0 318.421 0.057 10 0 DCAERN O=C([O-])c1cn(NC(=O)C2CC[NH2+]CC2)c(=O)c2ccccc12 ZINC000000269729 395680217 /nfs/dbraw/zinc/68/02/17/395680217.db2.gz JBWNJHCVQAJXFJ-UHFFFAOYSA-N 0 0 315.329 0.769 10 0 DCAERN CC(=O)O[C@@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]12 ZINC000005481141 395682804 /nfs/dbraw/zinc/68/28/04/395682804.db2.gz QZKDRLZSJSWQPS-PZWNZHSQSA-N 0 0 302.323 0.946 10 0 DCAERN O=C(CNC(=O)c1cccs1)NCC(=O)NCc1ccco1 ZINC000007952638 395683674 /nfs/dbraw/zinc/68/36/74/395683674.db2.gz IOMQMEHHFANUJW-UHFFFAOYSA-N 0 0 321.358 0.504 10 0 DCAERN Cn1cnc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000085985527 395702692 /nfs/dbraw/zinc/70/26/92/395702692.db2.gz OCUDNQQPZAPZCB-IUCAKERBSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000032029856 395708745 /nfs/dbraw/zinc/70/87/45/395708745.db2.gz LJRXZAYLDMPIDH-MNOVXSKESA-N 0 0 303.366 0.825 10 0 DCAERN C[C@H](CNC=C1C(=O)NC(=O)c2ccccc21)N1CCOCC1 ZINC000032080277 395708950 /nfs/dbraw/zinc/70/89/50/395708950.db2.gz IJKATUPCMWWFFM-PKVLTRFUSA-N 0 0 315.373 0.608 10 0 DCAERN C[C@H]1c2cccn2CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000032489191 395710965 /nfs/dbraw/zinc/71/09/65/395710965.db2.gz TUDNRFDHGVEKST-QWHCGFSZSA-N 0 0 304.394 0.589 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 ZINC000089401019 395711000 /nfs/dbraw/zinc/71/10/00/395711000.db2.gz AMRVSRRWOIBINC-GWCFXTLKSA-N 0 0 312.391 0.438 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c(C)o1 ZINC000089419314 395711243 /nfs/dbraw/zinc/71/12/43/395711243.db2.gz LMPOKMHKRUFFEQ-LDYMZIIASA-N 0 0 316.379 0.339 10 0 DCAERN 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HBFUSZWCBFYMEL-UHFFFAOYSA-N 0 0 304.375 0.707 10 0 DCAERN COC[C@H](C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000103519760 395773513 /nfs/dbraw/zinc/77/35/13/395773513.db2.gz IOKCLCIXAGYUSQ-ZFWWWQNUSA-N 0 0 319.405 0.640 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000193759700 395778864 /nfs/dbraw/zinc/77/88/64/395778864.db2.gz DRXNOBWIKVIZFY-LBPRGKRZSA-N 0 0 310.398 0.298 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1COCCN1C1CCCC1 ZINC000193800191 395778970 /nfs/dbraw/zinc/77/89/70/395778970.db2.gz WZSGQUWXSMDISW-AWEZNQCLSA-N 0 0 307.398 0.428 10 0 DCAERN Cc1ccc2ncc(C(=O)NC[C@@H]3CCC[N@H+]3C)c(=O)n2c1 ZINC000194707491 395804247 /nfs/dbraw/zinc/80/42/47/395804247.db2.gz WRDRWHBXFWMFRR-LBPRGKRZSA-N 0 0 300.362 0.827 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000111339704 395807763 /nfs/dbraw/zinc/80/77/63/395807763.db2.gz AEYIMDASPHHHHJ-LBPRGKRZSA-N 0 0 302.400 0.380 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000194863966 395810571 /nfs/dbraw/zinc/81/05/71/395810571.db2.gz PAFLBEANYLAMHP-AWEZNQCLSA-N 0 0 319.380 0.996 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000111613299 395810578 /nfs/dbraw/zinc/81/05/78/395810578.db2.gz RTVDQDWZRRQFSG-NSHDSACASA-N 0 0 319.365 0.161 10 0 DCAERN CN1CCO[C@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000112548671 395818764 /nfs/dbraw/zinc/81/87/64/395818764.db2.gz HLPJAGLFVTTZPK-CVEARBPZSA-N 0 0 303.406 0.927 10 0 DCAERN CC1(CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)COC1 ZINC000112617643 395819626 /nfs/dbraw/zinc/81/96/26/395819626.db2.gz HTCIFUQBKBJZIB-UHFFFAOYSA-N 0 0 314.345 0.738 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650594 395819884 /nfs/dbraw/zinc/81/98/84/395819884.db2.gz GQHPEXJENXAAKH-ZDUSSCGKSA-N 0 0 319.409 0.796 10 0 DCAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112650793 395820726 /nfs/dbraw/zinc/82/07/26/395820726.db2.gz RCPZKURIMICUMQ-JQWIXIFHSA-N 0 0 311.345 0.835 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N[C@H]3CCc4ncnn4C3)cc12 ZINC000112651359 395820778 /nfs/dbraw/zinc/82/07/78/395820778.db2.gz XHEOBZKCUYGDGJ-NSHDSACASA-N 0 0 311.349 0.613 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000195192724 395821050 /nfs/dbraw/zinc/82/10/50/395821050.db2.gz KUBZPIMVCWWUJL-UHFFFAOYSA-N 0 0 323.418 0.395 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112739040 395823433 /nfs/dbraw/zinc/82/34/33/395823433.db2.gz LAQAMEFPRNLWIQ-LBPRGKRZSA-N 0 0 303.370 0.556 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195289155 395824107 /nfs/dbraw/zinc/82/41/07/395824107.db2.gz LBBPRNHWELPYRR-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN OCCn1ncc2c1nc(Cl)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000113008084 395826606 /nfs/dbraw/zinc/82/66/06/395826606.db2.gz GIVZAUZDQRQKIM-DTORHVGOSA-N 0 0 309.757 0.840 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000195466017 395827716 /nfs/dbraw/zinc/82/77/16/395827716.db2.gz HNETVUWRHJMZHG-LLVKDONJSA-N 0 0 302.400 0.205 10 0 DCAERN O=C(c1ccccc1N1CCOCC1)N1CCNC(=O)CC1 ZINC000195492667 395829987 /nfs/dbraw/zinc/82/99/87/395829987.db2.gz JTKIVSTWIQFJCO-UHFFFAOYSA-N 0 0 303.362 0.485 10 0 DCAERN COCCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000049264845 395830533 /nfs/dbraw/zinc/83/05/33/395830533.db2.gz PCJZMQUXXZAMJS-UHFFFAOYSA-N 0 0 301.368 0.170 10 0 DCAERN Cn1nccc1C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000195513301 395830788 /nfs/dbraw/zinc/83/07/88/395830788.db2.gz BMNCTEPCMOAHPJ-CQSZACIVSA-N 0 0 306.410 0.895 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC(=O)NCc1ccco1)C1CCCC1 ZINC000198766004 395834314 /nfs/dbraw/zinc/83/43/14/395834314.db2.gz OAKVKEKTOHGUHN-HNNXBMFYSA-N 0 0 321.377 0.707 10 0 DCAERN CCOCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115660191 395840926 /nfs/dbraw/zinc/84/09/26/395840926.db2.gz ASZJLMNBKUVGON-UHFFFAOYSA-N 0 0 323.441 0.901 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115274 395860447 /nfs/dbraw/zinc/86/04/47/395860447.db2.gz PSEVTEWBKNMHSE-CYBMUJFWSA-N 0 0 305.378 0.689 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCN3CCOCC3)C2)cn1 ZINC000116416238 395844087 /nfs/dbraw/zinc/84/40/87/395844087.db2.gz PLBGRDMGLVXJGU-ZDUSSCGKSA-N 0 0 307.398 0.251 10 0 DCAERN COc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000116761632 395844592 /nfs/dbraw/zinc/84/45/92/395844592.db2.gz QODRTJHNXZZYMY-LLVKDONJSA-N 0 0 315.333 0.356 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000116836051 395847655 /nfs/dbraw/zinc/84/76/55/395847655.db2.gz HIEMSININNAPIN-ZDUSSCGKSA-N 0 0 314.382 0.908 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117522750 395853085 /nfs/dbraw/zinc/85/30/85/395853085.db2.gz JNRPVUAQBRWYLD-LBPRGKRZSA-N 0 0 306.366 0.199 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCCNS(C)(=O)=O ZINC000117751751 395854308 /nfs/dbraw/zinc/85/43/08/395854308.db2.gz GJRSIONCTRGJKY-GXFFZTMASA-N 0 0 312.391 0.607 10 0 DCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000270666118 395795680 /nfs/dbraw/zinc/79/56/80/395795680.db2.gz VDMSTELMANIIPO-WPRPVWTQSA-N 0 0 312.347 0.587 10 0 DCAERN COCCOc1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000194604090 395800572 /nfs/dbraw/zinc/80/05/72/395800572.db2.gz QWFAIPGIEOHRBN-OAHLLOKOSA-N 0 0 308.378 0.772 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245456353 395929507 /nfs/dbraw/zinc/92/95/07/395929507.db2.gz ITLNZAGCDDUXTA-NSHDSACASA-N 0 0 302.400 0.829 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000272519766 395896793 /nfs/dbraw/zinc/89/67/93/395896793.db2.gz ZEMYXSPBAHNILK-GXSJLCMTSA-N 0 0 315.395 0.183 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000054455706 395899667 /nfs/dbraw/zinc/89/96/67/395899667.db2.gz QZGDKGTUBJFQNV-RYUDHWBXSA-N 0 0 304.412 0.486 10 0 DCAERN CCCCCNC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000124028863 395900141 /nfs/dbraw/zinc/90/01/41/395900141.db2.gz WYXGCZDAQVQXQK-UPJWGTAASA-N 0 0 300.399 0.944 10 0 DCAERN Cc1ccccc1SCC(=O)N1CCN(CC(N)=O)CC1 ZINC000054481542 395900369 /nfs/dbraw/zinc/90/03/69/395900369.db2.gz MCMRPXSOLMECMD-UHFFFAOYSA-N 0 0 307.419 0.717 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126574370 395913878 /nfs/dbraw/zinc/91/38/78/395913878.db2.gz NKIVHWOAZQHPEA-DGCLKSJQSA-N 0 0 318.377 0.855 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000127074977 395914357 /nfs/dbraw/zinc/91/43/57/395914357.db2.gz AGOYLAIIGIKPGE-GFCCVEGCSA-N 0 0 304.350 0.870 10 0 DCAERN O=C(Cn1cc(NC(=O)N2CCOCC2)cn1)NC1CCCC1 ZINC000127392416 395915809 /nfs/dbraw/zinc/91/58/09/395915809.db2.gz LOPMXPFMULHQOO-UHFFFAOYSA-N 0 0 321.381 0.806 10 0 DCAERN Cc1nc(CNC(=O)CCn2cnc3ccccc3c2=O)no1 ZINC000118646309 395863033 /nfs/dbraw/zinc/86/30/33/395863033.db2.gz OPJANVJQDDPSBW-UHFFFAOYSA-N 0 0 313.317 0.794 10 0 DCAERN CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119384947 395870961 /nfs/dbraw/zinc/87/09/61/395870961.db2.gz BCWPQPPBJBYAFJ-ZWNOBZJWSA-N 0 0 314.407 0.732 10 0 DCAERN O=C(COc1ccc(Cl)c2cccnc12)NC(CO)CO ZINC000119597291 395873153 /nfs/dbraw/zinc/87/31/53/395873153.db2.gz LLMDVBMQDMXZAD-UHFFFAOYSA-N 0 0 310.737 0.736 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000119635896 395873365 /nfs/dbraw/zinc/87/33/65/395873365.db2.gz IPYDYLVHONAVLR-MRVPVSSYSA-N 0 0 320.271 0.448 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(C)=O)[C@@H]2C1 ZINC000120296613 395881641 /nfs/dbraw/zinc/88/16/41/395881641.db2.gz KEJMXLDPPMKYJD-LXTVHRRPSA-N 0 0 310.394 0.792 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1nnnn1C1CC1 ZINC000053635821 395886885 /nfs/dbraw/zinc/88/68/85/395886885.db2.gz HOXOIHKODZFXOX-IUCAKERBSA-N 0 0 324.410 0.213 10 0 DCAERN CCCc1cc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)n[nH]1 ZINC000134632683 395933149 /nfs/dbraw/zinc/93/31/49/395933149.db2.gz ZMGAIZQOOKLEMS-JTQLQIEISA-N 0 0 300.384 0.725 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000245715231 395935441 /nfs/dbraw/zinc/93/54/41/395935441.db2.gz GKWAPBGJQWXIQZ-HUBLWGQQSA-N 0 0 318.373 0.603 10 0 DCAERN Cn1cc(CN2CCCN(Cc3nccc(N)n3)CC2)cn1 ZINC000135053329 395937479 /nfs/dbraw/zinc/93/74/79/395937479.db2.gz BTMRCZBAXMGTBD-UHFFFAOYSA-N 0 0 301.398 0.500 10 0 DCAERN CC(C)COCCCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246085856 395940722 /nfs/dbraw/zinc/94/07/22/395940722.db2.gz GFSWLURGPSTLJB-QWHCGFSZSA-N 0 0 308.444 0.993 10 0 DCAERN NC(=O)CCn1ncc(Br)c(Br)c1=O ZINC000135895187 395943032 /nfs/dbraw/zinc/94/30/32/395943032.db2.gz UQSMBWWCZPQJIT-UHFFFAOYSA-N 0 0 324.960 0.644 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000274436749 395948404 /nfs/dbraw/zinc/94/84/04/395948404.db2.gz FZZBOWFKJHWLMO-JTQLQIEISA-N 0 0 300.384 0.144 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246430762 395950125 /nfs/dbraw/zinc/95/01/25/395950125.db2.gz GWMBQGIHHXDEJA-QWHCGFSZSA-N 0 0 305.444 0.224 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)CC2 ZINC000246593158 395953320 /nfs/dbraw/zinc/95/33/20/395953320.db2.gz PWFZTSTZSHINCA-GRYCIOLGSA-N 0 0 323.397 0.342 10 0 DCAERN C[C@@H]1CN(c2cc(=O)n3ccccc3n2)C[C@H]1N1CCOCC1 ZINC000246575757 395953355 /nfs/dbraw/zinc/95/33/55/395953355.db2.gz SWZOEQZSLQTJPK-ZIAGYGMSSA-N 0 0 314.389 0.851 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246618476 395954485 /nfs/dbraw/zinc/95/44/85/395954485.db2.gz NNHKEXATCJPQDI-NWDGAFQWSA-N 0 0 310.350 0.457 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc([S@](C)=O)cc2)C[C@H]1C ZINC000246656681 395954909 /nfs/dbraw/zinc/95/49/09/395954909.db2.gz GVWJYNBYHIVQCA-IFMYKAFSSA-N 0 0 324.446 0.951 10 0 DCAERN C[C@H](NC(=O)COC[C@H]1CCOC1)C(=O)N1CCCC[C@@H]1C ZINC000246680332 395955888 /nfs/dbraw/zinc/95/58/88/395955888.db2.gz JFMFJMOITHYPHJ-IHRRRGAJSA-N 0 0 312.410 0.945 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221638 395969582 /nfs/dbraw/zinc/96/95/82/395969582.db2.gz VOERAMHDFJEOFL-ZWNOBZJWSA-N 0 0 320.361 0.622 10 0 DCAERN CN1C[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)CCC1=O ZINC000150732709 395971572 /nfs/dbraw/zinc/97/15/72/395971572.db2.gz ZFXASJHQUWIREL-ZDUSSCGKSA-N 0 0 313.361 0.677 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000150773536 395972392 /nfs/dbraw/zinc/97/23/92/395972392.db2.gz DAXVRJYUNALWFM-SECBINFHSA-N 0 0 315.395 0.061 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247478345 395974113 /nfs/dbraw/zinc/97/41/13/395974113.db2.gz QUSWGGNDHCMNIJ-TUAOUCFPSA-N 0 0 301.350 0.741 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151228951 395981813 /nfs/dbraw/zinc/98/18/13/395981813.db2.gz FKGYBNRXIKMOFV-YRGRVCCFSA-N 0 0 316.423 0.510 10 0 DCAERN C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151244097 395982802 /nfs/dbraw/zinc/98/28/02/395982802.db2.gz XSKKVGKTURPBTE-VHSXEESVSA-N 0 0 302.338 0.501 10 0 DCAERN CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000248156472 395983186 /nfs/dbraw/zinc/98/31/86/395983186.db2.gz IUYJPCYEPNPWNL-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248156466 395983886 /nfs/dbraw/zinc/98/38/86/395983886.db2.gz IUYJPCYEPNPWNL-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[C@@H]1CO ZINC000249029927 396001635 /nfs/dbraw/zinc/00/16/35/396001635.db2.gz BDVWNNNCBOBEJZ-HZSPNIEDSA-N 0 0 319.409 0.858 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCn1nnc2ccccc2c1=O ZINC000151894497 395995737 /nfs/dbraw/zinc/99/57/37/395995737.db2.gz FPKDDHSFOYAITA-QWRGUYRKSA-N 0 0 304.350 0.315 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000248807201 395997926 /nfs/dbraw/zinc/99/79/26/395997926.db2.gz HCFDGBKVTRLLNO-JAAXMTQOSA-N 0 0 324.421 0.896 10 0 DCAERN Cc1cc(F)ccc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000153421802 396023855 /nfs/dbraw/zinc/02/38/55/396023855.db2.gz YYSCPGLVYLGCTM-MRXNPFEDSA-N 0 0 310.369 0.947 10 0 DCAERN C[C@@H](CNC(=O)c1ncn(-c2ccccc2)n1)N1CCOCC1 ZINC000154029308 396029763 /nfs/dbraw/zinc/02/97/63/396029763.db2.gz KDASHLLDFVHWTA-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN C[C@H](CNC(=O)c1ncn(-c2ccccc2)n1)N1CCOCC1 ZINC000154029389 396029943 /nfs/dbraw/zinc/02/99/43/396029943.db2.gz KDASHLLDFVHWTA-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN COc1ccccc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154139515 396032029 /nfs/dbraw/zinc/03/20/29/396032029.db2.gz XLCWQCVLPUEPFV-CQSZACIVSA-N 0 0 308.378 0.047 10 0 DCAERN O=C(CCc1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000154151580 396032855 /nfs/dbraw/zinc/03/28/55/396032855.db2.gz ACHXXCIKFGZOAE-HNNXBMFYSA-N 0 0 310.369 0.568 10 0 DCAERN CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)C1CCC1)CC2 ZINC000257194018 396035820 /nfs/dbraw/zinc/03/58/20/396035820.db2.gz SJHUYMBWJKSQMS-OLZOCXBDSA-N 0 0 319.409 0.200 10 0 DCAERN Cc1[nH][nH]c(=O)c1CC(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000067847359 396036453 /nfs/dbraw/zinc/03/64/53/396036453.db2.gz SUQWSGYSYKGWJY-OAHLLOKOSA-N 0 0 306.366 0.437 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1S(N)(=O)=O ZINC000154409405 396037494 /nfs/dbraw/zinc/03/74/94/396037494.db2.gz PNNYCROWDOOBAN-LLVKDONJSA-N 0 0 300.380 0.988 10 0 DCAERN COc1cccc([C@H]2CN(S(=O)(=O)C3COC3)CCO2)c1 ZINC000277056375 396047297 /nfs/dbraw/zinc/04/72/97/396047297.db2.gz MSLVRPMSBAHBQZ-CQSZACIVSA-N 0 0 313.375 0.797 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000155264801 396048427 /nfs/dbraw/zinc/04/84/27/396048427.db2.gz WBDCJFOFWIPLPB-KXUCPTDWSA-N 0 0 318.420 0.590 10 0 DCAERN CCc1nnc2ccc(N3CCN(C(=O)C(C)C)CC3)nn21 ZINC000068659259 396061341 /nfs/dbraw/zinc/06/13/41/396061341.db2.gz GLCILMJETZCZCU-UHFFFAOYSA-N 0 0 302.382 0.991 10 0 DCAERN CCC[C@@H](O)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000158702801 396064823 /nfs/dbraw/zinc/06/48/23/396064823.db2.gz CEVMGSZYORMMSZ-GFCCVEGCSA-N 0 0 315.391 0.841 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H](O)C[C@@H]2CO)c1C ZINC000249380095 396006823 /nfs/dbraw/zinc/00/68/23/396006823.db2.gz ZUOJZNDMXOGQBJ-UHTWSYAYSA-N 0 0 308.378 0.833 10 0 DCAERN COC(=O)CCCCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000069124504 396070326 /nfs/dbraw/zinc/07/03/26/396070326.db2.gz NPSAGZOAQPGUCV-UHFFFAOYSA-N 0 0 301.387 0.886 10 0 DCAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC[C@@H]1CCCO1 ZINC000152432955 396009187 /nfs/dbraw/zinc/00/91/87/396009187.db2.gz UMDPUPALWJGWKT-DZGCQCFKSA-N 0 0 305.378 0.830 10 0 DCAERN C[C@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)CCN1CCO ZINC000249575272 396009446 /nfs/dbraw/zinc/00/94/46/396009446.db2.gz PJSLVXQGPDLGQO-BBRMVZONSA-N 0 0 321.396 0.929 10 0 DCAERN NC(=O)[C@@H]1CCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000066560539 396009461 /nfs/dbraw/zinc/00/94/61/396009461.db2.gz OMBIWOVKECFKPO-AWEZNQCLSA-N 0 0 300.362 0.573 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276582947 396012548 /nfs/dbraw/zinc/01/25/48/396012548.db2.gz NIYHSHIJSWUZMU-VNQPRFMTSA-N 0 0 319.405 0.996 10 0 DCAERN O=C(CN1CCN(C[C@H]2CCCCO2)CC1)N1CCOCC1 ZINC000066695930 396012829 /nfs/dbraw/zinc/01/28/29/396012829.db2.gz GKTHANYFHWJRKW-OAHLLOKOSA-N 0 0 311.426 0.032 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000251677971 396016434 /nfs/dbraw/zinc/01/64/34/396016434.db2.gz IUFURWPFVCEMFG-LXTVHRRPSA-N 0 0 324.421 0.561 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1)C1CC1 ZINC000251707114 396017496 /nfs/dbraw/zinc/01/74/96/396017496.db2.gz JWBIZQFXUZDHTJ-MGPQQGTHSA-N 0 0 319.405 0.864 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1=O ZINC000163244566 396085657 /nfs/dbraw/zinc/08/56/57/396085657.db2.gz RCYIWNUBYDUQSJ-MCIONIFRSA-N 0 0 310.394 0.509 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000277771686 396086082 /nfs/dbraw/zinc/08/60/82/396086082.db2.gz SWZMJXMPFQSBIB-BFHYXJOUSA-N 0 0 322.361 0.470 10 0 DCAERN C[C@@H](c1nc(I)no1)S(C)(=O)=O ZINC000167890749 396089805 /nfs/dbraw/zinc/08/98/05/396089805.db2.gz FRZGNDZGILKSNZ-VKHMYHEASA-N 0 0 302.093 0.780 10 0 DCAERN NC(=O)c1cc[nH]c1[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000169789260 396093263 /nfs/dbraw/zinc/09/32/63/396093263.db2.gz TXTPGRBDXFDTSU-LBPRGKRZSA-N 0 0 320.393 0.152 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000170857443 396098559 /nfs/dbraw/zinc/09/85/59/396098559.db2.gz HADZGVJTAIUVMZ-ZDUSSCGKSA-N 0 0 312.391 0.726 10 0 DCAERN COC[C@H](C)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070302975 396100429 /nfs/dbraw/zinc/10/04/29/396100429.db2.gz XSCIRLRNUVYWBJ-JTQLQIEISA-N 0 0 301.364 0.715 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000170924223 396101320 /nfs/dbraw/zinc/10/13/20/396101320.db2.gz YJBAKVLCVSPELB-UONOGXRCSA-N 0 0 307.398 0.597 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000070666717 396102681 /nfs/dbraw/zinc/10/26/81/396102681.db2.gz ORZHRIKLQGQWRB-LHRNQBEKSA-N 0 0 316.405 0.901 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCCc1nc(C)no1 ZINC000171224782 396111601 /nfs/dbraw/zinc/11/16/01/396111601.db2.gz TUKRSGJGBYFPMR-GFCCVEGCSA-N 0 0 320.349 0.962 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000171372928 396115181 /nfs/dbraw/zinc/11/51/81/396115181.db2.gz NGZRNELINNUHPJ-RYUDHWBXSA-N 0 0 300.318 0.693 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000172489650 396131966 /nfs/dbraw/zinc/13/19/66/396131966.db2.gz QWTZKGFJLUIAKT-RWSFTLGLSA-N 0 0 304.346 0.952 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173872577 396136371 /nfs/dbraw/zinc/13/63/71/396136371.db2.gz IBOBGBQFQLJNKC-GJZGRUSLSA-N 0 0 323.437 0.568 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000174481493 396138600 /nfs/dbraw/zinc/13/86/00/396138600.db2.gz ZLBOYONLMDMDJL-GXTWGEPZSA-N 0 0 320.455 0.714 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716909 396077626 /nfs/dbraw/zinc/07/76/26/396077626.db2.gz ZCJXHLHMNVGGPJ-LBPRGKRZSA-N 0 0 320.384 0.299 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)CC2 ZINC000162195618 396078984 /nfs/dbraw/zinc/07/89/84/396078984.db2.gz DEZMQONXBSVPKI-IAQYHMDHSA-N 0 0 307.398 0.712 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCO[C@@H](c3cccs3)C2)nn1 ZINC000162215232 396079279 /nfs/dbraw/zinc/07/92/79/396079279.db2.gz QABDOEXEZVILLJ-SNVBAGLBSA-N 0 0 321.362 0.039 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)[nH]1 ZINC000162337663 396080593 /nfs/dbraw/zinc/08/05/93/396080593.db2.gz PSLGAAPYLHVARL-VIFPVBQESA-N 0 0 316.308 0.563 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCC(n2cncn2)CC1 ZINC000162515289 396081171 /nfs/dbraw/zinc/08/11/71/396081171.db2.gz ACKVHPYYDHIQIV-UHFFFAOYSA-N 0 0 307.398 0.994 10 0 DCAERN CC1(O)CN(C(=O)c2cnn3cc(Br)cnc23)C1 ZINC000277754791 396085498 /nfs/dbraw/zinc/08/54/98/396085498.db2.gz NUVWBLSDHDBPCF-UHFFFAOYSA-N 0 0 311.139 0.699 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000178746750 396207067 /nfs/dbraw/zinc/20/70/67/396207067.db2.gz VACZISYYCBWXAT-CYBMUJFWSA-N 0 0 321.381 0.989 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000175941360 396145854 /nfs/dbraw/zinc/14/58/54/396145854.db2.gz CEVFRHRSWQBQOM-GFCCVEGCSA-N 0 0 313.423 0.978 10 0 DCAERN O=S(=O)(Cc1cn2cc(Cl)ccc2n1)C[C@H](O)CO ZINC000176708977 396158973 /nfs/dbraw/zinc/15/89/73/396158973.db2.gz AORIWXFHXVAAPD-SNVBAGLBSA-N 0 0 304.755 0.256 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000176875716 396161822 /nfs/dbraw/zinc/16/18/22/396161822.db2.gz WWZANIQFXICJMS-LLVKDONJSA-N 0 0 313.423 0.807 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCC(C)(C)OC)CCO2)[nH]1 ZINC000178164703 396190377 /nfs/dbraw/zinc/19/03/77/396190377.db2.gz CNVZYDMKAOUPGI-SNVBAGLBSA-N 0 0 311.386 0.875 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)N1CCN(CCO)CC1 ZINC000178219386 396192225 /nfs/dbraw/zinc/19/22/25/396192225.db2.gz KZNUJJGRBKYNOG-UHFFFAOYSA-N 0 0 317.349 0.878 10 0 DCAERN CCCCN(CCO)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178556691 396199508 /nfs/dbraw/zinc/19/95/08/396199508.db2.gz APCNMDRVBLQTBQ-UHFFFAOYSA-N 0 0 300.380 0.569 10 0 DCAERN CCCn1nccc1NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000178582363 396199878 /nfs/dbraw/zinc/19/98/78/396199878.db2.gz JHEASQJDESNLED-SNVBAGLBSA-N 0 0 300.384 0.992 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H](C)O1 ZINC000080462025 396281074 /nfs/dbraw/zinc/28/10/74/396281074.db2.gz WLNVWUHKCINPPZ-DTORHVGOSA-N 0 0 316.354 0.723 10 0 DCAERN CC(C)(NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000078114597 396239837 /nfs/dbraw/zinc/23/98/37/396239837.db2.gz ACANLBROFKBTOZ-CYBMUJFWSA-N 0 0 305.378 0.268 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCn1ccnc1 ZINC000181620432 396240667 /nfs/dbraw/zinc/24/06/67/396240667.db2.gz UPCFKUIPVKCIAI-UHFFFAOYSA-N 0 0 300.322 0.603 10 0 DCAERN COCc1noc([C@H](C)N2CCN(c3cccnn3)CC2)n1 ZINC000181674731 396240676 /nfs/dbraw/zinc/24/06/76/396240676.db2.gz IICIPSHCNVDEBS-NSHDSACASA-N 0 0 304.354 0.889 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCCc1nc2c(s1)CCCC2 ZINC000078600005 396248217 /nfs/dbraw/zinc/24/82/17/396248217.db2.gz NBDMJGODCBIYDS-UHFFFAOYSA-N 0 0 322.390 0.232 10 0 DCAERN COCCOCC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078678757 396251965 /nfs/dbraw/zinc/25/19/65/396251965.db2.gz PWZNCWJETWDLRE-CQSZACIVSA-N 0 0 306.362 0.913 10 0 DCAERN COc1n[nH]c(NC(=O)CN(CCc2ccccc2)C(C)=O)n1 ZINC000183002713 396258277 /nfs/dbraw/zinc/25/82/77/396258277.db2.gz MSOONERUWJUVQI-UHFFFAOYSA-N 0 0 317.349 0.843 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)cc12 ZINC000282062911 396259854 /nfs/dbraw/zinc/25/98/54/396259854.db2.gz BEQPXYBMTAAPOA-VIFPVBQESA-N 0 0 301.350 0.579 10 0 DCAERN CC(CO)(CO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000183517788 396270711 /nfs/dbraw/zinc/27/07/11/396270711.db2.gz MRYZEUQUKWUFOV-UHFFFAOYSA-N 0 0 309.753 0.999 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)NCCCN1CCCC1=O ZINC000183779632 396274429 /nfs/dbraw/zinc/27/44/29/396274429.db2.gz HTQPFOYTGQVASQ-UHFFFAOYSA-N 0 0 303.428 0.565 10 0 DCAERN Nc1n[nH]c(SCC(=O)NCCN2CCc3ccccc32)n1 ZINC000080061418 396274476 /nfs/dbraw/zinc/27/44/76/396274476.db2.gz ZPKCZCXSDXAMGQ-UHFFFAOYSA-N 0 0 318.406 0.658 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnnc3)C2=O)n(C)n1 ZINC000178997683 396218036 /nfs/dbraw/zinc/21/80/36/396218036.db2.gz PXXSTLKCDUZGQX-GFCCVEGCSA-N 0 0 314.349 0.444 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CCOC2)cc1C ZINC000179087455 396221528 /nfs/dbraw/zinc/22/15/28/396221528.db2.gz MHGZWWBOYPVDAG-INIZCTEOSA-N 0 0 306.362 0.301 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)c2cnc3ccsc3c2)C1 ZINC000280858687 396225914 /nfs/dbraw/zinc/22/59/14/396225914.db2.gz DKEBVUHRZVRRGD-UHFFFAOYSA-N 0 0 311.388 0.792 10 0 DCAERN COCC(=O)N(C)CC(=O)NCc1ccn(C2CCCC2)n1 ZINC000179386393 396226485 /nfs/dbraw/zinc/22/64/85/396226485.db2.gz OCIYAZSBWWAFIR-UHFFFAOYSA-N 0 0 308.382 0.719 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN([C@@H](CC)CO)CC2)C1 ZINC000179407263 396226737 /nfs/dbraw/zinc/22/67/37/396226737.db2.gz IUJLCIMSXVGGGE-KBPBESRZSA-N 0 0 311.426 0.160 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000180180661 396232169 /nfs/dbraw/zinc/23/21/69/396232169.db2.gz GCCGWQBFTOINIZ-LLVKDONJSA-N 0 0 303.366 0.487 10 0 DCAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2nccs2)n1 ZINC000185072889 396316146 /nfs/dbraw/zinc/31/61/46/396316146.db2.gz NYBFQYPYDVKINX-SECBINFHSA-N 0 0 309.351 0.847 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099688 396317334 /nfs/dbraw/zinc/31/73/34/396317334.db2.gz JTFOHYBERJIZGJ-CYBMUJFWSA-N 0 0 301.350 0.532 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000283194272 396317948 /nfs/dbraw/zinc/31/79/48/396317948.db2.gz FZVLIEMVMSAYMI-NWDGAFQWSA-N 0 0 319.409 0.982 10 0 DCAERN CCn1c(C)nnc1CN1CCN(c2cc(OC)ncn2)CC1 ZINC000184074026 396284322 /nfs/dbraw/zinc/28/43/22/396284322.db2.gz VISLXTJZCLNYGR-UHFFFAOYSA-N 0 0 317.397 0.727 10 0 DCAERN COc1cc(N2CCN(Cc3nnc(C)n3C)CC2)ncn1 ZINC000184094113 396284955 /nfs/dbraw/zinc/28/49/55/396284955.db2.gz OFZPAZYGHXSALO-UHFFFAOYSA-N 0 0 303.370 0.244 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c2=O)s1 ZINC000282378264 396286115 /nfs/dbraw/zinc/28/61/15/396286115.db2.gz NMMWGNBRIAZTMV-QMMMGPOBSA-N 0 0 320.374 0.367 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282383172 396286813 /nfs/dbraw/zinc/28/68/13/396286813.db2.gz NUUYSISRCPEIFC-QMMMGPOBSA-N 0 0 318.333 0.138 10 0 DCAERN CCOCCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000184177647 396287841 /nfs/dbraw/zinc/28/78/41/396287841.db2.gz VXCAUEAPJDOJFQ-UHFFFAOYSA-N 0 0 317.349 0.953 10 0 DCAERN COc1cccc(CNC(=O)CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000185145037 396319699 /nfs/dbraw/zinc/31/96/99/396319699.db2.gz JIOYYJXMFAGCIO-KRWDZBQOSA-N 0 0 320.389 0.803 10 0 DCAERN O=S(=O)(CCN1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000185143352 396319829 /nfs/dbraw/zinc/31/98/29/396319829.db2.gz QKYNGQAVSLEMIL-HNNXBMFYSA-N 0 0 311.403 0.952 10 0 DCAERN Cc1ccccc1Cc1noc(CN2C[C@H](O)C[C@@H]2CO)n1 ZINC000185145854 396319918 /nfs/dbraw/zinc/31/99/18/396319918.db2.gz CZRPQLAYFZQXCM-ZIAGYGMSSA-N 0 0 303.362 0.896 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cccs2)C(=O)C1)C(=O)N(C)C ZINC000184462664 396295819 /nfs/dbraw/zinc/29/58/19/396295819.db2.gz NJBXBTYAHATOIF-JTQLQIEISA-N 0 0 324.406 0.583 10 0 DCAERN CCOCc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185180575 396320207 /nfs/dbraw/zinc/32/02/07/396320207.db2.gz ARASBUSQAUUITH-HZPDHXFCSA-N 0 0 322.405 0.267 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCOC(C)C)CC1 ZINC000184696032 396302721 /nfs/dbraw/zinc/30/27/21/396302721.db2.gz XUVSMUOXFWLARY-AWEZNQCLSA-N 0 0 301.431 0.900 10 0 DCAERN C[C@H](C(=O)Nc1cc(F)ccc1F)N1C[C@H](O)C[C@@H]1CO ZINC000184733355 396304046 /nfs/dbraw/zinc/30/40/46/396304046.db2.gz JXVYATSFWRFXNS-FBIMIBRVSA-N 0 0 300.305 0.719 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184787504 396305458 /nfs/dbraw/zinc/30/54/58/396305458.db2.gz FSYDACWWWWXFRW-PWSUYJOCSA-N 0 0 304.350 0.892 10 0 DCAERN O=C1CCCN1c1ccc(S(=O)(=O)N2CC(CO)C2)cc1 ZINC000184900527 396310291 /nfs/dbraw/zinc/31/02/91/396310291.db2.gz RYGQOHSTVBBVFP-UHFFFAOYSA-N 0 0 310.375 0.426 10 0 DCAERN Cn1nccc1CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000184919521 396311019 /nfs/dbraw/zinc/31/10/19/396311019.db2.gz UKDWYFIXSQTQLF-CYBMUJFWSA-N 0 0 302.334 0.913 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000185207620 396321692 /nfs/dbraw/zinc/32/16/92/396321692.db2.gz YEKSFPUUFCPWGV-UKRRQHHQSA-N 0 0 300.399 0.409 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000185220463 396321737 /nfs/dbraw/zinc/32/17/37/396321737.db2.gz KMTONPARRBKYHS-LBPRGKRZSA-N 0 0 306.387 0.849 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000185308880 396324403 /nfs/dbraw/zinc/32/44/03/396324403.db2.gz IULDBPNVBHTJSF-OLZOCXBDSA-N 0 0 311.407 0.768 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000185345951 396325331 /nfs/dbraw/zinc/32/53/31/396325331.db2.gz DDIIIXZYQRNFMJ-ZIAGYGMSSA-N 0 0 309.410 0.476 10 0 DCAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)CC(=O)NC ZINC000185521535 396329476 /nfs/dbraw/zinc/32/94/76/396329476.db2.gz AQTHSWMPQIKYEB-NSHDSACASA-N 0 0 312.391 0.491 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@@](C)(O)C3)C2)cn1 ZINC000185527160 396330064 /nfs/dbraw/zinc/33/00/64/396330064.db2.gz DKXGMTLTYRUNOD-IUODEOHRSA-N 0 0 307.398 0.555 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@](C)(O)C3)C2)cn1 ZINC000185527141 396330070 /nfs/dbraw/zinc/33/00/70/396330070.db2.gz DKXGMTLTYRUNOD-DOMZBBRYSA-N 0 0 307.398 0.555 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000185550279 396330669 /nfs/dbraw/zinc/33/06/69/396330669.db2.gz PIHBIINSPRYDTO-HNNXBMFYSA-N 0 0 308.309 0.782 10 0 DCAERN CCCc1nc(CS(=O)(=O)C[C@@H](O)C(F)(F)F)no1 ZINC000185701659 396333392 /nfs/dbraw/zinc/33/33/92/396333392.db2.gz JIGRTQZZDUXOLM-ZCFIWIBFSA-N 0 0 302.274 0.860 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]1C(C)C ZINC000185452452 396328371 /nfs/dbraw/zinc/32/83/71/396328371.db2.gz HGNRDKWOWHDJCI-KBPBESRZSA-N 0 0 312.410 0.612 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2c(C)noc2C)C1 ZINC000185480562 396328863 /nfs/dbraw/zinc/32/88/63/396328863.db2.gz VHZXNUJRGLRONE-VIFPVBQESA-N 0 0 324.381 0.379 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NCc1ccco1 ZINC000185930637 396338029 /nfs/dbraw/zinc/33/80/29/396338029.db2.gz IPPAKIIRPNVNCI-HNNXBMFYSA-N 0 0 322.365 0.335 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)c(C)n2n1 ZINC000265709371 396338325 /nfs/dbraw/zinc/33/83/25/396338325.db2.gz UTHKRIJSEMQETB-JTQLQIEISA-N 0 0 322.390 0.605 10 0 DCAERN C[C@@H](c1nccs1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000185784044 396334991 /nfs/dbraw/zinc/33/49/91/396334991.db2.gz PHNMHMQMSSXJKY-QWRGUYRKSA-N 0 0 308.407 0.484 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000185852258 396336041 /nfs/dbraw/zinc/33/60/41/396336041.db2.gz VFHCAKIZYLEZBN-UONOGXRCSA-N 0 0 317.389 0.810 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000284842830 396346824 /nfs/dbraw/zinc/34/68/24/396346824.db2.gz DENKZBBNJQCMPQ-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000284842827 396347118 /nfs/dbraw/zinc/34/71/18/396347118.db2.gz DENKZBBNJQCMPQ-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186132654 396341991 /nfs/dbraw/zinc/34/19/91/396341991.db2.gz VULDRCDUFHTUQM-WDEREUQCSA-N 0 0 323.397 0.855 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CCC1=O ZINC000186596580 396353394 /nfs/dbraw/zinc/35/33/94/396353394.db2.gz YHYQFQKJUNTORJ-SECBINFHSA-N 0 0 300.314 0.964 10 0 DCAERN CN(CC1(c2ccccc2)CC1)C(=O)CN1CC(=O)NC1=O ZINC000186760685 396357282 /nfs/dbraw/zinc/35/72/82/396357282.db2.gz JXMREZRPHLFTEN-UHFFFAOYSA-N 0 0 301.346 0.728 10 0 DCAERN CN(CC(=O)N1CC(=O)Nc2ccccc21)CC1(CO)CC1 ZINC000186775663 396357731 /nfs/dbraw/zinc/35/77/31/396357731.db2.gz VQXCKOGXHUXHGN-UHFFFAOYSA-N 0 0 303.362 0.676 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(CCO)CC1)CC2 ZINC000187115063 396363674 /nfs/dbraw/zinc/36/36/74/396363674.db2.gz XXRMYMHJMJOLPV-LLVKDONJSA-N 0 0 307.398 0.617 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(c3cc(C)[nH]n3)CC2)on1 ZINC000187260197 396365789 /nfs/dbraw/zinc/36/57/89/396365789.db2.gz QPRYOIJNGMYCKB-UHFFFAOYSA-N 0 0 304.354 0.775 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)O1 ZINC000187329138 396367120 /nfs/dbraw/zinc/36/71/20/396367120.db2.gz XFQSRBRLTXSSBO-PWSUYJOCSA-N 0 0 306.366 0.836 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)N2CCCC3(CC3)C2)cn1 ZINC000187406525 396369325 /nfs/dbraw/zinc/36/93/25/396369325.db2.gz OUYNLOZVRIKIPC-UHFFFAOYSA-N 0 0 303.366 0.884 10 0 DCAERN COCCCS(=O)(=O)N1CCN(C[C@H](C)COC)CC1 ZINC000187471321 396369932 /nfs/dbraw/zinc/36/99/32/396369932.db2.gz ILPHIJGJQJRGCT-ZDUSSCGKSA-N 0 0 308.444 0.253 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186445054 396349874 /nfs/dbraw/zinc/34/98/74/396349874.db2.gz IXHGSMYVYRARQH-QWHCGFSZSA-N 0 0 303.362 0.929 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000285424744 396350240 /nfs/dbraw/zinc/35/02/40/396350240.db2.gz ICVPHOKQIOQKCB-IUODEOHRSA-N 0 0 324.764 0.482 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@]12CCOC2=O ZINC000186542877 396352176 /nfs/dbraw/zinc/35/21/76/396352176.db2.gz XYNDMOYFXHDJRG-BMIGLBTASA-N 0 0 306.318 0.706 10 0 DCAERN O=C(NCCCO)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188303215 396381288 /nfs/dbraw/zinc/38/12/88/396381288.db2.gz YSNZGPXCRNLQFV-ZDUSSCGKSA-N 0 0 309.341 0.608 10 0 DCAERN C[C@](O)(CCNC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000188350272 396381821 /nfs/dbraw/zinc/38/18/21/396381821.db2.gz DCRPBGJGETWEEE-INIZCTEOSA-N 0 0 305.378 0.816 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000188682433 396385026 /nfs/dbraw/zinc/38/50/26/396385026.db2.gz UVFWOAZPJHYXDW-MELADBBJSA-N 0 0 312.410 0.897 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NCCCN1C(=O)CNC1=O ZINC000188781124 396386638 /nfs/dbraw/zinc/38/66/38/396386638.db2.gz QDCIRJZPPUMYTD-UHFFFAOYSA-N 0 0 322.365 0.853 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188814695 396387017 /nfs/dbraw/zinc/38/70/17/396387017.db2.gz SLKWFGHWLCLFOE-LLVKDONJSA-N 0 0 324.425 0.601 10 0 DCAERN CO[C@]1(C(=O)NCCn2cc(Br)cn2)CCOC1 ZINC000286323144 396388192 /nfs/dbraw/zinc/38/81/92/396388192.db2.gz FWSXJHLIAFMZMF-LLVKDONJSA-N 0 0 318.171 0.567 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000189043451 396389724 /nfs/dbraw/zinc/38/97/24/396389724.db2.gz VWRJZWYMXYXRDU-ZDUSSCGKSA-N 0 0 306.410 0.911 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189158924 396391344 /nfs/dbraw/zinc/39/13/44/396391344.db2.gz WWWXVVNRFLRIAM-KBXIAJHMSA-N 0 0 324.421 0.822 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189249664 396392356 /nfs/dbraw/zinc/39/23/56/396392356.db2.gz ZEMBWJZXMWTTFP-STQMWFEESA-N 0 0 309.410 0.905 10 0 DCAERN COCCN1CCCN(C(=O)CCc2ccncc2)CC1=O ZINC000189306630 396393393 /nfs/dbraw/zinc/39/33/93/396393393.db2.gz GYKBDKAELOHLLP-UHFFFAOYSA-N 0 0 305.378 0.722 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189309698 396393455 /nfs/dbraw/zinc/39/34/55/396393455.db2.gz BDOIRBISUIITJU-UHFFFAOYSA-N 0 0 309.366 0.866 10 0 DCAERN COc1ccc(CNC(=O)CN2CCCNC(=O)[C@@H]2C)cc1 ZINC000189322179 396393473 /nfs/dbraw/zinc/39/34/73/396393473.db2.gz GYBCXGAGUALKKD-LBPRGKRZSA-N 0 0 305.378 0.522 10 0 DCAERN COCCn1ccc(C(=O)N2CCC(n3cncn3)CC2)n1 ZINC000189502090 396396060 /nfs/dbraw/zinc/39/60/60/396396060.db2.gz YCBZVQGKIMDHQW-UHFFFAOYSA-N 0 0 304.354 0.598 10 0 DCAERN Cc1c(C(=O)N2CCCN(C)C(=O)C2)cnn1C1CCOCC1 ZINC000189740922 396398219 /nfs/dbraw/zinc/39/82/19/396398219.db2.gz KKLFSEZLWQGVRQ-UHFFFAOYSA-N 0 0 320.393 0.847 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H](C)OC[C@H]3CCCO3)CC2)n[nH]1 ZINC000189756632 396398450 /nfs/dbraw/zinc/39/84/50/396398450.db2.gz HLGJNRQKKWTCJS-UONOGXRCSA-N 0 0 322.409 0.951 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189768173 396398977 /nfs/dbraw/zinc/39/89/77/396398977.db2.gz WYSDQPJUQWRVQY-ZDUSSCGKSA-N 0 0 309.410 0.858 10 0 DCAERN NC(=O)[C@H]1COCCN1CCOCC(F)(F)C(F)(F)F ZINC000189805586 396399298 /nfs/dbraw/zinc/39/92/98/396399298.db2.gz FJDGOKLNUPFBDE-SSDOTTSWSA-N 0 0 306.231 0.387 10 0 DCAERN CN1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000189780103 396399768 /nfs/dbraw/zinc/39/97/68/396399768.db2.gz CZGRDLXAHXGYCA-UHFFFAOYSA-N 0 0 301.346 0.876 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1n[nH]c2c1CCCCC2 ZINC000190101443 396401974 /nfs/dbraw/zinc/40/19/74/396401974.db2.gz RIOLFZUZFOFDFA-GFCCVEGCSA-N 0 0 322.409 0.102 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)n[nH]1 ZINC000190544074 396407935 /nfs/dbraw/zinc/40/79/35/396407935.db2.gz IHWZQPMSRAYCNL-RYUDHWBXSA-N 0 0 314.411 0.347 10 0 DCAERN COCCCN(C)C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000190779164 396411244 /nfs/dbraw/zinc/41/12/44/396411244.db2.gz LPIPUHJTYDEKGV-ZDUSSCGKSA-N 0 0 320.393 0.974 10 0 DCAERN CCn1cc([C@H]2CN(CCCS(C)(=O)=O)CCO2)cn1 ZINC000190733900 396411345 /nfs/dbraw/zinc/41/13/45/396411345.db2.gz OWQJVQXNXGGBNB-CYBMUJFWSA-N 0 0 301.412 0.711 10 0 DCAERN CNC(=O)c1ccc(CN2CCCN(CCOC)C(=O)C2)cc1 ZINC000190796271 396412066 /nfs/dbraw/zinc/41/20/66/396412066.db2.gz GZLDAGFDUAJXQR-UHFFFAOYSA-N 0 0 319.405 0.727 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2CCO[C@H]2C)s1 ZINC000287689530 396416238 /nfs/dbraw/zinc/41/62/38/396416238.db2.gz FDNQHDGISYEZQX-POYBYMJQSA-N 0 0 305.381 0.557 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCCN(CCOC)C(=O)C2)CCO1 ZINC000191276479 396418363 /nfs/dbraw/zinc/41/83/63/396418363.db2.gz XPGCZLYYXXFTEW-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1snnc1C(C)(C)C ZINC000191398951 396419041 /nfs/dbraw/zinc/41/90/41/396419041.db2.gz OUGAFNGYEMDTOQ-UHFFFAOYSA-N 0 0 320.440 0.505 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CCN3CCO[C@H](C)C3)CCO2)n1 ZINC000191486881 396420412 /nfs/dbraw/zinc/42/04/12/396420412.db2.gz RTLIAZLJSHWNRJ-SJORKVTESA-N 0 0 322.453 0.921 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)N[C@@H](CF)C3=O)C2)n(C)n1 ZINC000287798795 396424202 /nfs/dbraw/zinc/42/42/02/396424202.db2.gz TZIXVJRHZFXGJO-QWRGUYRKSA-N 0 0 309.345 0.587 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CCc3nnc[nH]3)CCO2)cn1 ZINC000191790403 396425135 /nfs/dbraw/zinc/42/51/35/396425135.db2.gz VTLBOZRTANFXBH-LBPRGKRZSA-N 0 0 304.354 0.554 10 0 DCAERN COc1c(CN2CCS(=O)(=O)C[C@@H](C)C2)c(C)nn1C ZINC000192065934 396429180 /nfs/dbraw/zinc/42/91/80/396429180.db2.gz JRHMUPSQCUGKJJ-JTQLQIEISA-N 0 0 301.412 0.604 10 0 DCAERN COc1ccnc(N2CCN(Cc3nc(N(C)C)no3)CC2)c1 ZINC000192710844 396435683 /nfs/dbraw/zinc/43/56/83/396435683.db2.gz IUBUDKIYUGOSRY-UHFFFAOYSA-N 0 0 318.381 0.861 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187929622 396376419 /nfs/dbraw/zinc/37/64/19/396376419.db2.gz XIVPDSMCCDTPBK-UHFFFAOYSA-N 0 0 324.402 0.984 10 0 DCAERN COCCOCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188065226 396378304 /nfs/dbraw/zinc/37/83/04/396378304.db2.gz SFSJGYAHVBKQJA-UHFFFAOYSA-N 0 0 308.382 0.599 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000188102342 396379215 /nfs/dbraw/zinc/37/92/15/396379215.db2.gz OMKVJLMDGNDTEZ-ZWNMCFTASA-N 0 0 316.361 0.191 10 0 DCAERN Cn1cc(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)cn1 ZINC000188261309 396380541 /nfs/dbraw/zinc/38/05/41/396380541.db2.gz JIRGUWKDSXYCSR-UHFFFAOYSA-N 0 0 310.317 0.881 10 0 DCAERN O=C(C[C@@H](O)Cc1ccccc1)N1CCO[C@]2(CCOC2)C1 ZINC000580809522 396500569 /nfs/dbraw/zinc/50/05/69/396500569.db2.gz SMYSGVGDIRDGSW-DOTOQJQBSA-N 0 0 305.374 0.998 10 0 DCAERN O=C(NCC[C@H]1CCOC1)C(=O)N1CCOCC2(CCC2)C1 ZINC000515322308 396502472 /nfs/dbraw/zinc/50/24/72/396502472.db2.gz SUOREXHACFBNRU-ZDUSSCGKSA-N 0 0 310.394 0.558 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cn3)C2)cn1 ZINC000193272954 396447439 /nfs/dbraw/zinc/44/74/39/396447439.db2.gz ZXJPMDMUCPSGBU-JTQLQIEISA-N 0 0 317.324 0.909 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193328352 396449176 /nfs/dbraw/zinc/44/91/76/396449176.db2.gz AKZBZZBDRICFJL-PSASIEDQSA-N 0 0 324.768 0.834 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000193471404 396452044 /nfs/dbraw/zinc/45/20/44/396452044.db2.gz NVVLWBPSYBZTHJ-WDEREUQCSA-N 0 0 324.356 0.073 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2cncc(Cl)c2)CCC1=O ZINC000269929744 396455371 /nfs/dbraw/zinc/45/53/71/396455371.db2.gz CQPAZEZCKXLIJA-VIFPVBQESA-N 0 0 303.771 0.634 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000289180846 396456146 /nfs/dbraw/zinc/45/61/46/396456146.db2.gz VWJNSXLAXVPAAT-BDAKNGLRSA-N 0 0 300.380 0.990 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)N1CCN(C2CC2)CC1 ZINC000269971908 396456907 /nfs/dbraw/zinc/45/69/07/396456907.db2.gz SXIVVUYAFWMRAJ-UHFFFAOYSA-N 0 0 320.397 0.863 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CC(=O)N(C)C3)no2)c1 ZINC000270119331 396461666 /nfs/dbraw/zinc/46/16/66/396461666.db2.gz VEPKSIYCCKQVLI-SNVBAGLBSA-N 0 0 303.322 0.188 10 0 DCAERN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCO[C@@H](CO)C1 ZINC000270169982 396462432 /nfs/dbraw/zinc/46/24/32/396462432.db2.gz KYYVGSVVQBJEMG-SNVBAGLBSA-N 0 0 309.746 0.861 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cn[nH]c1 ZINC000270327546 396464601 /nfs/dbraw/zinc/46/46/01/396464601.db2.gz LQMPBADZHNXXPG-MBNYWOFBSA-N 0 0 307.398 0.833 10 0 DCAERN CCS(=O)(=O)NCC(=O)NC1(c2nc(C)cs2)CCC1 ZINC000270353075 396464792 /nfs/dbraw/zinc/46/47/92/396464792.db2.gz VSJRCELPKIXYJG-UHFFFAOYSA-N 0 0 317.436 0.886 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000371559161 396470869 /nfs/dbraw/zinc/47/08/69/396470869.db2.gz FRYUEWLCUXUWDD-YUKKFKLSSA-N 0 0 303.362 0.734 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291471032 396492564 /nfs/dbraw/zinc/49/25/64/396492564.db2.gz FEBJBIIPCWUDKP-AMIZOPFISA-N 0 0 305.334 0.946 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@H](F)C[C@@H]1CO ZINC000372428674 396517396 /nfs/dbraw/zinc/51/73/96/396517396.db2.gz VHDQTEKAZIGIOY-RKDXNWHRSA-N 0 0 303.311 0.509 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1cscn1 ZINC000594818296 396520836 /nfs/dbraw/zinc/52/08/36/396520836.db2.gz DZARVBMHXMVDBB-QMMMGPOBSA-N 0 0 307.397 0.533 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)COc2cnn(C)c2)CC1 ZINC000581082812 396525409 /nfs/dbraw/zinc/52/54/09/396525409.db2.gz SZIGLWZSXRKGNN-UHFFFAOYSA-N 0 0 318.381 0.817 10 0 DCAERN O=C(c1cn(Cc2ccccc2)nn1)N1CC(n2ccnn2)C1 ZINC000372580432 396529186 /nfs/dbraw/zinc/52/91/86/396529186.db2.gz BCNVGBDTIROZLT-UHFFFAOYSA-N 0 0 309.333 0.615 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000372973804 396558303 /nfs/dbraw/zinc/55/83/03/396558303.db2.gz KIDXGZIRKANPJZ-ZDUSSCGKSA-N 0 0 307.398 0.263 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC000292877261 396573685 /nfs/dbraw/zinc/57/36/85/396573685.db2.gz YMBQHYJLAGZVFV-MNOVXSKESA-N 0 0 313.365 0.764 10 0 DCAERN CCc1cc(NCCCN2CCCS2(=O)=O)n2ncnc2n1 ZINC000585744778 396651912 /nfs/dbraw/zinc/65/19/12/396651912.db2.gz YUOXCKBKYCYCIY-UHFFFAOYSA-N 0 0 324.410 0.524 10 0 DCAERN CCc1noc(C)c1C(=O)NCCCN1CCCS1(=O)=O ZINC000585736017 396652127 /nfs/dbraw/zinc/65/21/27/396652127.db2.gz DVZLSUDVLWMPFJ-UHFFFAOYSA-N 0 0 315.395 0.701 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1CC(F)(F)F ZINC000374273691 396652495 /nfs/dbraw/zinc/65/24/95/396652495.db2.gz NPJGQSFPROXRDZ-MFKMUULPSA-N 0 0 321.343 0.998 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)NC1CC(CO)C1 ZINC000595400159 396602652 /nfs/dbraw/zinc/60/26/52/396602652.db2.gz ATKKNIRFVDXFBQ-UHFFFAOYSA-N 0 0 319.404 0.892 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373626888 396604082 /nfs/dbraw/zinc/60/40/82/396604082.db2.gz DWTPZDMGGXRQEB-AWEZNQCLSA-N 0 0 319.423 0.608 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N2CC(C)(C(N)=O)C2)cc1 ZINC000582362818 396606035 /nfs/dbraw/zinc/60/60/35/396606035.db2.gz WQVQAXPRBHLIRF-UHFFFAOYSA-N 0 0 318.373 0.921 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)c1nc[nH]n1 ZINC000373669128 396606723 /nfs/dbraw/zinc/60/67/23/396606723.db2.gz XBTGVCHNYVPHEI-SECBINFHSA-N 0 0 315.333 0.946 10 0 DCAERN CC(C)(C)OC(=O)N1CCC(C[C@@H](O)C[NH3+])(C(=O)[O-])CC1 ZINC000584881644 396631363 /nfs/dbraw/zinc/63/13/63/396631363.db2.gz YQHPKYAQTKPUCA-SNVBAGLBSA-N 0 0 302.371 0.798 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)N1CCCC1=O ZINC000374141740 396641797 /nfs/dbraw/zinc/64/17/97/396641797.db2.gz MOJHAHQXHCEJEE-BRXULGCHSA-N 0 0 321.421 0.759 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000408229913 292087130 /nfs/dbraw/zinc/08/71/30/292087130.db2.gz ZCMMLJZZDTXIKO-UHFFFAOYSA-N 0 0 308.363 0.805 10 0 DCAERN CCOC(=O)C1(C(=O)N2CC(=O)N(CC3CC3)C2)CCOCC1 ZINC000586816097 396667722 /nfs/dbraw/zinc/66/77/22/396667722.db2.gz RYOXQBFAHHELRV-UHFFFAOYSA-N 0 0 324.377 0.385 10 0 DCAERN COCCCS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374728940 396683149 /nfs/dbraw/zinc/68/31/49/396683149.db2.gz HFENNHCGUANWCI-STQMWFEESA-N 0 0 321.439 0.510 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000374900893 396696516 /nfs/dbraw/zinc/69/65/16/396696516.db2.gz IWYVPHHRVLCEKS-ABAIWWIYSA-N 0 0 323.393 0.782 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374928707 396698960 /nfs/dbraw/zinc/69/89/60/396698960.db2.gz OTNFMGKIUMIGBT-OAHLLOKOSA-N 0 0 323.437 0.616 10 0 DCAERN Cn1c(=O)cccc1C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375014186 396703855 /nfs/dbraw/zinc/70/38/55/396703855.db2.gz FYTWUIINBWBEHL-UHFFFAOYSA-N 0 0 302.305 0.868 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC[C@H](OCCO)C1 ZINC000375027150 396705258 /nfs/dbraw/zinc/70/52/58/396705258.db2.gz KGYXPINXZSJCTP-GXTWGEPZSA-N 0 0 322.409 0.980 10 0 DCAERN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000375085679 396710584 /nfs/dbraw/zinc/71/05/84/396710584.db2.gz UCZKHXLSHBNDGY-VPWBDBDCSA-N 0 0 312.410 0.630 10 0 DCAERN Cc1ccc(N2CCN(C[C@H](O)Cn3cccn3)CC2=O)o1 ZINC000375102182 396711804 /nfs/dbraw/zinc/71/18/04/396711804.db2.gz WITWVYDXVBLOGX-ZDUSSCGKSA-N 0 0 304.350 0.494 10 0 DCAERN Cn1cc(OCC(=O)NCc2ccc3c(c2)OCCO3)cn1 ZINC000563872613 396787201 /nfs/dbraw/zinc/78/72/01/396787201.db2.gz BQTXYRMWSSLDJZ-UHFFFAOYSA-N 0 0 303.318 0.887 10 0 DCAERN Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)c(=O)n1C ZINC000563888756 396789379 /nfs/dbraw/zinc/78/93/79/396789379.db2.gz KLCZXNNQFSQISS-CYBMUJFWSA-N 0 0 300.362 0.769 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000625166089 396792959 /nfs/dbraw/zinc/79/29/59/396792959.db2.gz CTKKWKYRVWPDNV-OLZOCXBDSA-N 0 0 318.439 0.732 10 0 DCAERN Nc1ncnc(N[C@H]2CCN(C3CCOCC3)C2=O)c1Cl ZINC000375428053 396744137 /nfs/dbraw/zinc/74/41/37/396744137.db2.gz SAPNFCXZFOKHNO-VIFPVBQESA-N 0 0 311.773 0.904 10 0 DCAERN Nc1c(I)cnn1Cc1csnn1 ZINC000306198413 396754474 /nfs/dbraw/zinc/75/44/74/396754474.db2.gz PMESKGRIJQMSFH-UHFFFAOYSA-N 0 0 307.120 0.970 10 0 DCAERN O=C([O-])COCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309714194 396758006 /nfs/dbraw/zinc/75/80/06/396758006.db2.gz KFXOZCTULWSGPV-CQSZACIVSA-N 0 0 321.377 0.661 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000625067684 396763919 /nfs/dbraw/zinc/76/39/19/396763919.db2.gz UGAXQDWVBYTMOF-JQWIXIFHSA-N 0 0 304.412 0.436 10 0 DCAERN CCOC(=O)C[C@H](O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000312709848 396766450 /nfs/dbraw/zinc/76/64/50/396766450.db2.gz PENXOEGDCWSLFB-LBPRGKRZSA-N 0 0 307.412 0.057 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)NCC[C@H](O)C(F)F ZINC000633994266 396766658 /nfs/dbraw/zinc/76/66/58/396766658.db2.gz MTYPMFPRXCZFTC-YUMQZZPRSA-N 0 0 306.334 0.999 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000375783867 396819164 /nfs/dbraw/zinc/81/91/64/396819164.db2.gz FXHADZRAVMRZNO-QWHCGFSZSA-N 0 0 321.381 0.414 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)NC[C@H]1CCn2ccnc2C1 ZINC000328618981 396824039 /nfs/dbraw/zinc/82/40/39/396824039.db2.gz FJSGEWHWFPUYBN-STQMWFEESA-N 0 0 313.423 0.934 10 0 DCAERN Cc1ccc(CC(=O)N(CC(N)=O)C[C@H]2CN(C)CCO2)cn1 ZINC000328621440 396824157 /nfs/dbraw/zinc/82/41/57/396824157.db2.gz ALQRHRNMVABLSZ-CQSZACIVSA-N 0 0 320.393 0.627 10 0 DCAERN CN(C)c1cc(CN2CCC[C@H]2c2nc(C(N)=O)no2)ccn1 ZINC000328624512 396824451 /nfs/dbraw/zinc/82/44/51/396824451.db2.gz CKZWUQCBUYCRAV-NSHDSACASA-N 0 0 316.365 0.967 10 0 DCAERN Cn1cnnc1[C@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629245 396826010 /nfs/dbraw/zinc/82/60/10/396826010.db2.gz IATSTYFFOPKWIF-LSDHHAIUSA-N 0 0 302.378 0.792 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1 ZINC000328629243 396827173 /nfs/dbraw/zinc/82/71/73/396827173.db2.gz IATSTYFFOPKWIF-GJZGRUSLSA-N 0 0 302.378 0.792 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1c1nccn1C ZINC000328643394 396828427 /nfs/dbraw/zinc/82/84/27/396828427.db2.gz YWBZIRCYPRLFPZ-QWHCGFSZSA-N 0 0 319.409 0.104 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccncc1Br ZINC000625282590 396829106 /nfs/dbraw/zinc/82/91/06/396829106.db2.gz YPMPDQIUFJRPJS-JTQLQIEISA-N 0 0 300.156 0.530 10 0 DCAERN CN(C)S(=O)(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000625321716 396837675 /nfs/dbraw/zinc/83/76/75/396837675.db2.gz MNWNLBDSIRTAHR-VHSXEESVSA-N 0 0 316.383 0.563 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)CC(C)(C)CC(=O)OC)C1 ZINC000611423816 396864827 /nfs/dbraw/zinc/86/48/27/396864827.db2.gz SNFYTRIWNZSSKL-NSHDSACASA-N 0 0 313.398 0.886 10 0 DCAERN CCCC[C@H](C(=O)OC)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611430792 396866343 /nfs/dbraw/zinc/86/63/43/396866343.db2.gz BTQTZMCTWDPZCY-CYBMUJFWSA-N 0 0 309.414 0.963 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000610995379 396799708 /nfs/dbraw/zinc/79/97/08/396799708.db2.gz BIJTWTNTKGYKKX-AWEZNQCLSA-N 0 0 308.382 0.667 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CN2C(=O)N[C@@H](CC3CC3)C2=O)O1 ZINC000564770658 396866826 /nfs/dbraw/zinc/86/68/26/396866826.db2.gz GSWQUBSAMDCHSG-SRVKXCTJSA-N 0 0 309.366 0.343 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N2CC(n3ccnn3)C2)nc1C ZINC000375774895 396815468 /nfs/dbraw/zinc/81/54/68/396815468.db2.gz CNFRDEUPILVENZ-UHFFFAOYSA-N 0 0 315.333 0.855 10 0 DCAERN CCOC(=O)c1sc(N2CCC[C@@](O)(CO)C2)nc1C ZINC000591173621 396882762 /nfs/dbraw/zinc/88/27/62/396882762.db2.gz KEUZEUSPRMLCSD-ZDUSSCGKSA-N 0 0 300.380 0.952 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000625509287 396903083 /nfs/dbraw/zinc/90/30/83/396903083.db2.gz KAJHDPFXWCOOLR-ZFWWWQNUSA-N 0 0 321.421 0.928 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000333481286 396926276 /nfs/dbraw/zinc/92/62/76/396926276.db2.gz SJHSBNBQJZLDQR-KGYLQXTDSA-N 0 0 316.423 0.773 10 0 DCAERN CCn1c(-c2nnn(C)c2C)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635032865 396929691 /nfs/dbraw/zinc/92/96/91/396929691.db2.gz OGUAPWWFSPNDLP-PHIMTYICSA-N 0 0 303.370 0.485 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@](F)(CO)C1)n1nnnc1C(C)(C)C ZINC000376576362 396947610 /nfs/dbraw/zinc/94/76/10/396947610.db2.gz ZSUPEDXLQADZBC-YGRLFVJLSA-N 0 0 313.377 0.855 10 0 DCAERN OC[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CCC1(F)F ZINC000571701996 396981173 /nfs/dbraw/zinc/98/11/73/396981173.db2.gz TUYYAUARYXQMGC-NSHDSACASA-N 0 0 314.336 0.767 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCC(C)CC2)n1 ZINC000376908223 396995980 /nfs/dbraw/zinc/99/59/80/396995980.db2.gz CVSIMCUEAAVPDG-CHWSQXEVSA-N 0 0 308.382 0.744 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cscn2)[C@@H](C)C1 ZINC000612137341 397006044 /nfs/dbraw/zinc/00/60/44/397006044.db2.gz MNYNYWJLOUVSLH-VHSXEESVSA-N 0 0 324.406 0.400 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000618665764 397007219 /nfs/dbraw/zinc/00/72/19/397007219.db2.gz DPDPFFYBPYMLPC-WDEREUQCSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618675720 397009143 /nfs/dbraw/zinc/00/91/43/397009143.db2.gz GVAVFKGYWCQHOW-FRRDWIJNSA-N 0 0 317.455 0.352 10 0 DCAERN CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1 ZINC000572250422 397038429 /nfs/dbraw/zinc/03/84/29/397038429.db2.gz SUQHNGCPCUWMJX-SRVKXCTJSA-N 0 0 301.408 0.996 10 0 DCAERN Cc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1O ZINC000618681660 397012949 /nfs/dbraw/zinc/01/29/49/397012949.db2.gz QIHBJEPGUBSPRJ-LLVKDONJSA-N 0 0 312.391 0.807 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCn1cccc1 ZINC000618753804 397022486 /nfs/dbraw/zinc/02/24/86/397022486.db2.gz WGGQKOOOEDDOBC-RYUDHWBXSA-N 0 0 309.366 0.451 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)OCC1CC1 ZINC000618754162 397023245 /nfs/dbraw/zinc/02/32/45/397023245.db2.gz FLCJRRFGNDDXAC-GARJFASQSA-N 0 0 314.382 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCSC ZINC000618811148 397028162 /nfs/dbraw/zinc/02/81/62/397028162.db2.gz YRFOISIOWFCDQI-IUCAKERBSA-N 0 0 305.400 0.105 10 0 DCAERN CCCc1cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)[nH]n1 ZINC000618883039 397036075 /nfs/dbraw/zinc/03/60/75/397036075.db2.gz SQCBKHARKFPDSZ-ZJUUUORDSA-N 0 0 324.381 0.548 10 0 DCAERN CCC[C@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000618882872 397036500 /nfs/dbraw/zinc/03/65/00/397036500.db2.gz CCOHLTUYXALKOS-DCAQKATOSA-N 0 0 302.371 0.110 10 0 DCAERN CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630666042 397076218 /nfs/dbraw/zinc/07/62/18/397076218.db2.gz OCBAFLVFZYQSJI-ZIAGYGMSSA-N 0 0 308.378 0.872 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(N)=O)C2)cc1 ZINC000626182465 397105153 /nfs/dbraw/zinc/10/51/53/397105153.db2.gz LOVZTKPKVKOJAR-CYBMUJFWSA-N 0 0 305.334 0.997 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC[C@@H](C)O ZINC000625973777 397043801 /nfs/dbraw/zinc/04/38/01/397043801.db2.gz OQFBUQNZHYNIFP-SNVBAGLBSA-N 0 0 315.414 0.025 10 0 DCAERN C[C@@H](C(=O)[O-])N(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000630574440 397050148 /nfs/dbraw/zinc/05/01/48/397050148.db2.gz PPCHGWIQZNFFIP-SWLSCSKDSA-N 0 0 319.405 0.910 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCOC[C@H]2O)c1 ZINC000626417982 397158216 /nfs/dbraw/zinc/15/82/16/397158216.db2.gz QTOJABQUSJDMOK-ZIAGYGMSSA-N 0 0 307.350 0.941 10 0 DCAERN CC1(C)[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)[C@@H]2CCO[C@@H]21 ZINC000573396641 397162894 /nfs/dbraw/zinc/16/28/94/397162894.db2.gz HMYVXKIDQPLKNJ-XQQFMLRXSA-N 0 0 322.405 0.555 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Cc2cnnn2C)c2ccccc21 ZINC000613018313 397180239 /nfs/dbraw/zinc/18/02/39/397180239.db2.gz NONCSJCGAOXHEX-CQSZACIVSA-N 0 0 313.361 0.972 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)c2ccccc21 ZINC000613019053 397180293 /nfs/dbraw/zinc/18/02/93/397180293.db2.gz RFHKOSUIWXMVIS-STQMWFEESA-N 0 0 316.361 0.624 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CN1CCCCC1=O ZINC000378039009 397184077 /nfs/dbraw/zinc/18/40/77/397184077.db2.gz KEJOWUFASPCFFZ-ZIAGYGMSSA-N 0 0 309.410 0.321 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@@H](C(N)=O)O1 ZINC000378498577 397247937 /nfs/dbraw/zinc/24/79/37/397247937.db2.gz QOEGQTAZULILBQ-OUAUKWLOSA-N 0 0 313.398 0.617 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCc2cccc(C(=O)OC)c2)C1=O ZINC000619803704 397196178 /nfs/dbraw/zinc/19/61/78/397196178.db2.gz XHVLEYQPMREVOA-CYBMUJFWSA-N 0 0 319.361 0.893 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000364500129 397211221 /nfs/dbraw/zinc/21/12/21/397211221.db2.gz BCLWMFWQKNYUJY-CQSZACIVSA-N 0 0 324.402 0.726 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000378217985 397215067 /nfs/dbraw/zinc/21/50/67/397215067.db2.gz PHMWMBYRCGPOMY-CYBMUJFWSA-N 0 0 307.394 0.682 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)NCc2nnn(C)n2)c1 ZINC000573897679 397217583 /nfs/dbraw/zinc/21/75/83/397217583.db2.gz PHLMAKQKNXOALA-UHFFFAOYSA-N 0 0 303.326 0.515 10 0 DCAERN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCOCC[C@H]1C ZINC000378512078 397250166 /nfs/dbraw/zinc/25/01/66/397250166.db2.gz YQNCSDVKIMMKIG-LLVKDONJSA-N 0 0 324.381 0.646 10 0 DCAERN N#Cc1ccc(S(=O)(=O)NC2COCCOC2)c(Cl)c1 ZINC000383625022 397278255 /nfs/dbraw/zinc/27/82/55/397278255.db2.gz SRNDTGTVQCDARS-UHFFFAOYSA-N 0 0 316.766 0.905 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1COCC1(C)C ZINC000384772157 397281375 /nfs/dbraw/zinc/28/13/75/397281375.db2.gz HIIFAQBXLYAWMP-UHFFFAOYSA-N 0 0 303.340 0.343 10 0 DCAERN CN(CCCCO)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000385015828 397282584 /nfs/dbraw/zinc/28/25/84/397282584.db2.gz JNYZGHQILJMGTK-UHFFFAOYSA-N 0 0 320.436 0.647 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cn(CC)c(C)n1 ZINC000385660898 397285092 /nfs/dbraw/zinc/28/50/92/397285092.db2.gz MAFTXWPZZVUXEB-NEPJUHHUSA-N 0 0 301.412 0.993 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2C)cc1 ZINC000386258686 397286973 /nfs/dbraw/zinc/28/69/73/397286973.db2.gz KAOHGDXADRZQNS-JQWIXIFHSA-N 0 0 312.391 0.438 10 0 DCAERN CN1CCN(C(=O)CN2CCOCC2=O)c2ccccc2C1 ZINC000365759244 397312567 /nfs/dbraw/zinc/31/25/67/397312567.db2.gz GSKASNKYEHAMJK-UHFFFAOYSA-N 0 0 303.362 0.324 10 0 DCAERN C[C@@H](C(=O)OCc1ccn(C)n1)N1C(=O)NC2(CCCC2)C1=O ZINC000378541709 397254105 /nfs/dbraw/zinc/25/41/05/397254105.db2.gz GILMHKCJDRYMPH-JTQLQIEISA-N 0 0 320.349 0.716 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1(C)C ZINC000407959678 397337162 /nfs/dbraw/zinc/33/71/62/397337162.db2.gz SNDRLZJHDOTLOY-INIZCTEOSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H](C(=O)N1CCN[C@H](c2ccncc2)C1)N1CCN(C)CC1 ZINC000407965579 397339986 /nfs/dbraw/zinc/33/99/86/397339986.db2.gz LTIACEWOMFRTJB-ZBFHGGJFSA-N 0 0 317.437 0.190 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CC(=O)N(C)[C@H](C)C1)c2=O ZINC000407967550 397340728 /nfs/dbraw/zinc/34/07/28/397340728.db2.gz CYRCDXLBKKZFTK-LLVKDONJSA-N 0 0 314.345 0.306 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC(=O)N1C ZINC000407968764 397341669 /nfs/dbraw/zinc/34/16/69/397341669.db2.gz HATNINKXRVJLEQ-RKDXNWHRSA-N 0 0 321.299 0.086 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)o1 ZINC000408015090 397343891 /nfs/dbraw/zinc/34/38/91/397343891.db2.gz AAJGHDZXGWDKDB-VXGBXAGGSA-N 0 0 300.380 0.682 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CS(C)(=O)=O ZINC000408041293 397344644 /nfs/dbraw/zinc/34/46/44/397344644.db2.gz GAKLGZSBDVWAJO-XJFOESAGSA-N 0 0 305.440 0.529 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCOCC1 ZINC000408023038 397344930 /nfs/dbraw/zinc/34/49/30/397344930.db2.gz OLMDQRZDDZDMON-VXGBXAGGSA-N 0 0 306.428 0.889 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)CS(C)(=O)=O ZINC000408043387 397345288 /nfs/dbraw/zinc/34/52/88/397345288.db2.gz KFUKPKYLLLZUCR-BARDWOONSA-N 0 0 319.467 0.919 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000408151472 397348267 /nfs/dbraw/zinc/34/82/67/397348267.db2.gz QOBNUTZAWPOXGT-GXFFZTMASA-N 0 0 321.343 0.998 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408183777 397348905 /nfs/dbraw/zinc/34/89/05/397348905.db2.gz UEYFKARSQATKAY-KGLIPLIRSA-N 0 0 319.471 0.758 10 0 DCAERN CC(=O)NCCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366222473 397352567 /nfs/dbraw/zinc/35/25/67/397352567.db2.gz IFZBGLLPOXZGHD-HNNXBMFYSA-N 0 0 313.398 0.492 10 0 DCAERN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)CCN1C ZINC000408381999 397355748 /nfs/dbraw/zinc/35/57/48/397355748.db2.gz AZIGXJMVLBGHDB-RKDXNWHRSA-N 0 0 306.819 0.787 10 0 DCAERN C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408426719 397356664 /nfs/dbraw/zinc/35/66/64/397356664.db2.gz LFDYDWVKRDTNAA-IKOXMDCHSA-N 0 0 320.455 0.822 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](N2CCCNS2(=O)=O)C1 ZINC000409434586 397359365 /nfs/dbraw/zinc/35/93/65/397359365.db2.gz YKPMARNMESZJBV-JTQLQIEISA-N 0 0 305.400 0.536 10 0 DCAERN c1ncn(-c2cncc(N[C@H]3CCCN(c4ncccn4)C3)n2)n1 ZINC000620930175 397323140 /nfs/dbraw/zinc/32/31/40/397323140.db2.gz BFHSEGXXZPOBNQ-LBPRGKRZSA-N 0 0 323.364 0.928 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccncc1Br ZINC000599385932 397424650 /nfs/dbraw/zinc/42/46/50/397424650.db2.gz JFDAVYXCBZISGY-ONGXEEELSA-N 0 0 315.167 0.952 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)[C@@H](C)OC)C1 ZINC000461289541 397444902 /nfs/dbraw/zinc/44/49/02/397444902.db2.gz GEIZKIQQRAEZOH-IJLUTSLNSA-N 0 0 306.428 0.588 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)C1 ZINC000621526545 397393935 /nfs/dbraw/zinc/39/39/35/397393935.db2.gz VUFCEGQZJANOIK-JHJVBQTASA-N 0 0 311.382 0.195 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)C1 ZINC000621578413 397400624 /nfs/dbraw/zinc/40/06/24/397400624.db2.gz OJMHYKHRKCCRBJ-MXWKQRLJSA-N 0 0 323.315 0.562 10 0 DCAERN C[C@@](O)(CO)CNC(=O)Cc1ccc(Br)cc1F ZINC000614300778 397417120 /nfs/dbraw/zinc/41/71/20/397417120.db2.gz CEIZRGSGGIDYGX-LBPRGKRZSA-N 0 0 320.158 0.990 10 0 DCAERN CCOC(=O)c1ncc(CN(C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000602758974 397479041 /nfs/dbraw/zinc/47/90/41/397479041.db2.gz IRGRFCLUJPVPTM-SECBINFHSA-N 0 0 318.420 0.939 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)[nH]n1 ZINC000487535858 397475964 /nfs/dbraw/zinc/47/59/64/397475964.db2.gz JMBMFDPOCLYAMC-ONGXEEELSA-N 0 0 316.427 0.724 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1coc(CC)n1 ZINC000488296915 397489300 /nfs/dbraw/zinc/48/93/00/397489300.db2.gz OSTLQLPICQBMRB-IUCAKERBSA-N 0 0 311.338 0.423 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000370445762 397486700 /nfs/dbraw/zinc/48/67/00/397486700.db2.gz XQMOIXSHTKPGKP-XFMPKHEZSA-N 0 0 320.393 0.623 10 0 DCAERN C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)N1CCCC[C@H]1C ZINC000370527419 397496905 /nfs/dbraw/zinc/49/69/05/397496905.db2.gz IWTIEQCNKCTUOW-WQGACYEGSA-N 0 0 309.410 0.808 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000371353703 397575336 /nfs/dbraw/zinc/57/53/36/397575336.db2.gz JPKSUEPRXPMWJB-KWBADKCTSA-N 0 0 310.300 0.735 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1C[C@@H](O)Cc2ccccc21 ZINC000579548983 397578356 /nfs/dbraw/zinc/57/83/56/397578356.db2.gz DTOJGPJREPFPEB-JYJNAYRXSA-N 0 0 307.390 0.967 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000370943282 397527247 /nfs/dbraw/zinc/52/72/47/397527247.db2.gz WVYHMWAQDDWEHI-MRXNPFEDSA-N 0 0 316.401 0.891 10 0 DCAERN Cn1cc([C@H](CO)NCC(=O)Nc2ccc3c(c2)OCO3)cn1 ZINC000494811313 397533203 /nfs/dbraw/zinc/53/32/03/397533203.db2.gz QLAZUBJMDZJMKC-LBPRGKRZSA-N 0 0 318.333 0.411 10 0 DCAERN COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1CO ZINC000494806209 397533553 /nfs/dbraw/zinc/53/35/53/397533553.db2.gz AJUPXBSHCLNGLU-UHFFFAOYSA-N 0 0 306.318 0.665 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)C(COC)COC ZINC000603307280 397595887 /nfs/dbraw/zinc/59/58/87/397595887.db2.gz BFOVIIUOFXFXQA-LLVKDONJSA-N 0 0 309.384 0.005 10 0 DCAERN COC(=O)c1ccnc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000603407945 397607612 /nfs/dbraw/zinc/60/76/12/397607612.db2.gz JLUBGWMBKRVQSQ-NXEZZACHSA-N 0 0 300.336 0.092 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2cc(C)n[nH]2)c1 ZINC000603490352 397613775 /nfs/dbraw/zinc/61/37/75/397613775.db2.gz JBDIUCCOIDTMQQ-UHFFFAOYSA-N 0 0 308.363 0.556 10 0 DCAERN C[C@@]1(CNC(=O)NCCCN2CCCS2(=O)=O)CCOC1 ZINC000603532339 397615176 /nfs/dbraw/zinc/61/51/76/397615176.db2.gz RWOBRJNLYYHEGR-ZDUSSCGKSA-N 0 0 319.427 0.138 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000603883658 397625434 /nfs/dbraw/zinc/62/54/34/397625434.db2.gz IONJGDGQDQNZGS-UHFFFAOYSA-N 0 0 323.378 0.188 10 0 DCAERN CN(CC(=O)N[C@H]1CCN(C(N)=O)C1)c1ccc(Cl)cn1 ZINC000603892997 397626156 /nfs/dbraw/zinc/62/61/56/397626156.db2.gz CTUYMGMQVAEPKZ-JTQLQIEISA-N 0 0 311.773 0.440 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000604188237 397633021 /nfs/dbraw/zinc/63/30/21/397633021.db2.gz SCUIJVBTXWMGBG-NWDGAFQWSA-N 0 0 321.443 0.118 10 0 DCAERN C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCOC1 ZINC000608421336 397729640 /nfs/dbraw/zinc/72/96/40/397729640.db2.gz XNDZGBIPYXQDMI-RYUDHWBXSA-N 0 0 319.427 0.136 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)CCn3cccn3)CC2)[nH]1 ZINC000605526985 397666961 /nfs/dbraw/zinc/66/69/61/397666961.db2.gz CSMYQBMDLXMUKR-UHFFFAOYSA-N 0 0 303.370 0.044 10 0 DCAERN CCC(C)(C)[C@H](O)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC000606444868 397681282 /nfs/dbraw/zinc/68/12/82/397681282.db2.gz BYVZHASKCADMFI-SWLSCSKDSA-N 0 0 323.437 0.954 10 0 DCAERN CCc1ocnc1C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000606845153 397688611 /nfs/dbraw/zinc/68/86/11/397688611.db2.gz PTHHDUXFICRLMF-UHFFFAOYSA-N 0 0 304.354 0.622 10 0 DCAERN CCCc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)n2ncnc2n1 ZINC000607148359 397697436 /nfs/dbraw/zinc/69/74/36/397697436.db2.gz RPQUHYJOCJRTKJ-LLVKDONJSA-N 0 0 323.422 0.948 10 0 DCAERN C[C@@H](CO)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000608090524 397715954 /nfs/dbraw/zinc/71/59/54/397715954.db2.gz FZJAYZSYRZUFGW-LLVKDONJSA-N 0 0 318.377 0.644 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)N[C@H]1CC1(C)C ZINC000608648004 397743258 /nfs/dbraw/zinc/74/32/58/397743258.db2.gz VSAYKAQDGNKCMH-ILXRZTDVSA-N 0 0 324.469 0.831 10 0 DCAERN CCOC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000376098514 285992275 /nfs/dbraw/zinc/99/22/75/285992275.db2.gz BEFOUBYIWRRCNL-CQSZACIVSA-N 0 0 309.366 0.536 10 0 DCAERN CCOCCS(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000178727089 286123220 /nfs/dbraw/zinc/12/32/20/286123220.db2.gz WRROJMGUGAXHDT-UHFFFAOYSA-N 0 0 315.317 0.895 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)C12CCOCC2 ZINC000186450971 286474414 /nfs/dbraw/zinc/47/44/14/286474414.db2.gz BRNUGYMJHTVFSB-NEPJUHHUSA-N 0 0 310.394 0.603 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000046867489 158001797 /nfs/dbraw/zinc/00/17/97/158001797.db2.gz HISTUUHQSBZEOF-SWLSCSKDSA-N 0 0 317.389 0.790 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H](C)C2CC2)cc1-n1cnnn1 ZINC000049087174 158009356 /nfs/dbraw/zinc/00/93/56/158009356.db2.gz AHFYCXJVNNJFJD-SNVBAGLBSA-N 0 0 314.349 0.824 10 0 DCAERN CC1CCN(C(=O)C2CCN(CC(=O)NC(N)=O)CC2)CC1 ZINC000052158321 158016965 /nfs/dbraw/zinc/01/69/65/158016965.db2.gz JRZADVLOWYBFPV-UHFFFAOYSA-N 0 0 310.398 0.152 10 0 DCAERN CC(C)(C)OC[C@@H](O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000053402679 158017799 /nfs/dbraw/zinc/01/77/99/158017799.db2.gz GFSRPCZSZVRHQW-AWEZNQCLSA-N 0 0 313.442 0.059 10 0 DCAERN C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C(N)=O ZINC000053329747 158018288 /nfs/dbraw/zinc/01/82/88/158018288.db2.gz KNEPHGPROFNFKZ-SECBINFHSA-N 0 0 309.391 0.590 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N(C)CC(=O)NC1CC1)c1ccccc1 ZINC000060962879 158028543 /nfs/dbraw/zinc/02/85/43/158028543.db2.gz DQXWRKTUEMFVLO-HNNXBMFYSA-N 0 0 317.389 0.991 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000063768669 158031555 /nfs/dbraw/zinc/03/15/55/158031555.db2.gz XRPLXYUMPAQCRT-PWSUYJOCSA-N 0 0 314.349 0.388 10 0 DCAERN NC(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)nc1 ZINC000063537495 158031765 /nfs/dbraw/zinc/03/17/65/158031765.db2.gz IKKRGDVZEBFHPS-UHFFFAOYSA-N 0 0 322.328 0.691 10 0 DCAERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCNC(=O)CC1 ZINC000068257055 158041732 /nfs/dbraw/zinc/04/17/32/158041732.db2.gz AQCJBHUIMHSKHE-SNVBAGLBSA-N 0 0 323.780 0.807 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000068100627 158042169 /nfs/dbraw/zinc/04/21/69/158042169.db2.gz PENBYGKSTXAHLA-ZWNOBZJWSA-N 0 0 318.377 0.581 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)CCc1nc(-c2ccncc2)no1 ZINC000073418557 158055776 /nfs/dbraw/zinc/05/57/76/158055776.db2.gz ICDUHNKFPXPWSF-UHFFFAOYSA-N 0 0 317.349 0.611 10 0 DCAERN CCc1nnc(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)[nH]1 ZINC000073929677 158056650 /nfs/dbraw/zinc/05/66/50/158056650.db2.gz QJHDCQWLFFZLQR-MRVPVSSYSA-N 0 0 311.411 0.585 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)C1=NNC(=O)CC1 ZINC000075057781 158061066 /nfs/dbraw/zinc/06/10/66/158061066.db2.gz QGWKIDXLNRSANC-UHFFFAOYSA-N 0 0 318.333 0.266 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000076322998 158065271 /nfs/dbraw/zinc/06/52/71/158065271.db2.gz ONMOEVNUMRDEMB-OAHLLOKOSA-N 0 0 318.421 0.841 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000077829224 158069947 /nfs/dbraw/zinc/06/99/47/158069947.db2.gz SRCDGICEGQSOSP-WCQYABFASA-N 0 0 308.444 0.906 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC(n2cncn2)CC1 ZINC000079055082 158076248 /nfs/dbraw/zinc/07/62/48/158076248.db2.gz JKMWSJZRACOXCT-NSHDSACASA-N 0 0 318.381 0.388 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCC(=O)N2CCCCC2)C1 ZINC000079237303 158077308 /nfs/dbraw/zinc/07/73/08/158077308.db2.gz MXBMMUZGPNBKFJ-CQSZACIVSA-N 0 0 324.425 0.699 10 0 DCAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000079537952 158078438 /nfs/dbraw/zinc/07/84/38/158078438.db2.gz KUHXQHLZMOFYPH-IJLUTSLNSA-N 0 0 307.398 0.954 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)N1CCOCC1 ZINC000083700427 158087140 /nfs/dbraw/zinc/08/71/40/158087140.db2.gz QVLZPOLZBDVAAX-AAEUAGOBSA-N 0 0 322.413 0.441 10 0 DCAERN O=C(CSc1ccccc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856505 158088515 /nfs/dbraw/zinc/08/85/15/158088515.db2.gz WQHHACNWKONXAH-CQSZACIVSA-N 0 0 305.359 0.589 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089543100 158097355 /nfs/dbraw/zinc/09/73/55/158097355.db2.gz BWBYUXLTDSAKFA-STQMWFEESA-N 0 0 321.377 0.391 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1F ZINC000089666407 158098747 /nfs/dbraw/zinc/09/87/47/158098747.db2.gz DZDHJUYZNLBWEE-UHFFFAOYSA-N 0 0 301.339 0.980 10 0 DCAERN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CNC(=O)C1 ZINC000090501050 158103861 /nfs/dbraw/zinc/10/38/61/158103861.db2.gz MVBOOYJFBUVLIQ-ZIAGYGMSSA-N 0 0 315.373 0.430 10 0 DCAERN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1CN2CCN1CC2 ZINC000090698572 158104656 /nfs/dbraw/zinc/10/46/56/158104656.db2.gz CZFZXASBWZSRNY-PMUGQKEBSA-N 0 0 315.373 0.545 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C)CC(=O)NC(C)C)cnc12 ZINC000090996686 158106549 /nfs/dbraw/zinc/10/65/49/158106549.db2.gz UNSDYSFGVATVBS-UHFFFAOYSA-N 0 0 316.361 0.600 10 0 DCAERN COC[C@H](O)CCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091082240 158106755 /nfs/dbraw/zinc/10/67/55/158106755.db2.gz KIGQUPHOPKGTSM-LLVKDONJSA-N 0 0 305.334 0.130 10 0 DCAERN Cc1nc(C(=O)N[C@@H](CO)Cc2ccccc2)c(=O)[nH]c1C ZINC000092530589 158115879 /nfs/dbraw/zinc/11/58/79/158115879.db2.gz XKJNCGKESNQPCR-CYBMUJFWSA-N 0 0 301.346 0.720 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NN1CCOCC1 ZINC000098097043 158126487 /nfs/dbraw/zinc/12/64/87/158126487.db2.gz RZAHYBSNMWSDRD-CYBMUJFWSA-N 0 0 323.418 0.645 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105798162 158131449 /nfs/dbraw/zinc/13/14/49/158131449.db2.gz NZRWJMSQHAZOHE-LBPRGKRZSA-N 0 0 320.397 0.223 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1Cc1noc(C2CCOCC2)n1 ZINC000108860756 158137343 /nfs/dbraw/zinc/13/73/43/158137343.db2.gz JFKXUGWCFJIQLU-ZDUSSCGKSA-N 0 0 308.382 0.920 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000110605157 158138487 /nfs/dbraw/zinc/13/84/87/158138487.db2.gz TVFRPFYPIWXBNR-WDEREUQCSA-N 0 0 308.407 0.836 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnn(C)c3)CC2)no1 ZINC000110945733 158139014 /nfs/dbraw/zinc/13/90/14/158139014.db2.gz HHBFXXWUOVHODP-UHFFFAOYSA-N 0 0 304.354 0.460 10 0 DCAERN O=C(CCn1cncn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110958421 158140608 /nfs/dbraw/zinc/14/06/08/158140608.db2.gz XOZSJYKHVGCGBN-CQSZACIVSA-N 0 0 307.398 0.382 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CSCC(N)=O ZINC000112559569 158142454 /nfs/dbraw/zinc/14/24/54/158142454.db2.gz WECGBGDFXHHCTL-NSHDSACASA-N 0 0 310.423 0.919 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112655008 158143789 /nfs/dbraw/zinc/14/37/89/158143789.db2.gz GZPHQZXCSJVXNU-BDAKNGLRSA-N 0 0 307.383 0.018 10 0 DCAERN CN(CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O)C(N)=O ZINC000114559203 158154630 /nfs/dbraw/zinc/15/46/30/158154630.db2.gz KVZBTRVROCJJJR-LBPRGKRZSA-N 0 0 304.350 0.309 10 0 DCAERN CC(C)CCC(=O)NCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114858037 158158167 /nfs/dbraw/zinc/15/81/67/158158167.db2.gz QNGMBEQCDVSKLT-AWEZNQCLSA-N 0 0 311.426 0.518 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CC2 ZINC000114869895 158158962 /nfs/dbraw/zinc/15/89/62/158158962.db2.gz FSJCSMASFYDILF-QWRGUYRKSA-N 0 0 305.382 0.140 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)CC2 ZINC000114869894 158159197 /nfs/dbraw/zinc/15/91/97/158159197.db2.gz FSJCSMASFYDILF-WDEREUQCSA-N 0 0 305.382 0.140 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CSCN1C(C)=O)CC2 ZINC000114865308 158159220 /nfs/dbraw/zinc/15/92/20/158159220.db2.gz QRJBNVBXSISEGW-GHMZBOCLSA-N 0 0 323.422 0.193 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCn1ccnc1)CC2 ZINC000114907999 158159254 /nfs/dbraw/zinc/15/92/54/158159254.db2.gz INNATKCSKPHITE-LBPRGKRZSA-N 0 0 317.397 0.741 10 0 DCAERN CCN(C(=O)c1cccc(-n2cncn2)c1)[C@H]1CC(=O)NC1=O ZINC000115352963 158161609 /nfs/dbraw/zinc/16/16/09/158161609.db2.gz KLDKURRAZFLKPK-LBPRGKRZSA-N 0 0 313.317 0.145 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000116739835 158165277 /nfs/dbraw/zinc/16/52/77/158165277.db2.gz BYTASDDUABETRS-OAHLLOKOSA-N 0 0 300.362 0.933 10 0 DCAERN O=C1NCCc2ccc(S(=O)(=O)NCc3cscn3)cc21 ZINC000116336545 158166004 /nfs/dbraw/zinc/16/60/04/158166004.db2.gz YYKCBBBXTRARLG-UHFFFAOYSA-N 0 0 323.399 0.908 10 0 DCAERN CCOCCN1CCN(C(=O)CS(=O)(=O)CC)C[C@H]1CC ZINC000116766817 158167572 /nfs/dbraw/zinc/16/75/72/158167572.db2.gz AQEUPFBJRVOZBI-CYBMUJFWSA-N 0 0 320.455 0.380 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000116890685 158168613 /nfs/dbraw/zinc/16/86/13/158168613.db2.gz DHEBTMYRJFGHSP-GFCCVEGCSA-N 0 0 303.428 0.059 10 0 DCAERN CC1CCC(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000116890030 158169030 /nfs/dbraw/zinc/16/90/30/158169030.db2.gz RQDMAFCDVMPZKV-BPCQOVAHSA-N 0 0 317.455 0.305 10 0 DCAERN COCCN1CCN(C(=O)CCCC(=O)NC(C)C)C[C@@H]1C ZINC000117285503 158170602 /nfs/dbraw/zinc/17/06/02/158170602.db2.gz HQLJSQQAOKMGFJ-AWEZNQCLSA-N 0 0 313.442 0.860 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1C ZINC000117278307 158170667 /nfs/dbraw/zinc/17/06/67/158170667.db2.gz PVKWNNVLNAIXGH-LBPRGKRZSA-N 0 0 320.393 0.363 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000117927412 158174459 /nfs/dbraw/zinc/17/44/59/158174459.db2.gz IWMIVIQGXHJNKX-RYUDHWBXSA-N 0 0 302.400 0.135 10 0 DCAERN CCS(=O)(=O)CCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000118399791 158177405 /nfs/dbraw/zinc/17/74/05/158177405.db2.gz AYPRKFCPQDIOCW-JTQLQIEISA-N 0 0 317.436 0.981 10 0 DCAERN CCc1nc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)cs1 ZINC000118885222 158180147 /nfs/dbraw/zinc/18/01/47/158180147.db2.gz HJSBCVSFQMGTIY-UHFFFAOYSA-N 0 0 324.406 0.695 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC000119015494 158181430 /nfs/dbraw/zinc/18/14/30/158181430.db2.gz HCPWVOIAEOVDAY-UONOGXRCSA-N 0 0 317.389 0.328 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000119871395 158191157 /nfs/dbraw/zinc/19/11/57/158191157.db2.gz YJIZUYDRANKGBD-LBPRGKRZSA-N 0 0 324.402 0.643 10 0 DCAERN O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2nc(C3CC3)no2)C1 ZINC000120392173 158198170 /nfs/dbraw/zinc/19/81/70/158198170.db2.gz WPWUSHOVHABEPT-LLVKDONJSA-N 0 0 312.395 0.603 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCN(C)C1=O ZINC000120714407 158202533 /nfs/dbraw/zinc/20/25/33/158202533.db2.gz UBKFCPNQCMDSDI-WDEREUQCSA-N 0 0 320.397 0.766 10 0 DCAERN CC(CO)(CO)NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000120649430 158202754 /nfs/dbraw/zinc/20/27/54/158202754.db2.gz XGPHEFXFXFWEIV-UHFFFAOYSA-N 0 0 311.288 0.624 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1C ZINC000121030776 158206918 /nfs/dbraw/zinc/20/69/18/158206918.db2.gz XFFSBIYNGOYEHP-WCBMZHEXSA-N 0 0 300.384 0.003 10 0 DCAERN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000121682558 158212986 /nfs/dbraw/zinc/21/29/86/158212986.db2.gz DBMNZLVLCSJKJY-HOTGVXAUSA-N 0 0 309.454 0.897 10 0 DCAERN COC(=O)c1cc(Cn2nc(C(N)=O)ccc2=O)c(C)s1 ZINC000122030466 158217392 /nfs/dbraw/zinc/21/73/92/158217392.db2.gz FUJGOLONMMOWIM-UHFFFAOYSA-N 0 0 307.331 0.547 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000122111830 158219104 /nfs/dbraw/zinc/21/91/04/158219104.db2.gz NVBWZQSLOVOTSM-GFCCVEGCSA-N 0 0 301.412 0.651 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122243081 158220066 /nfs/dbraw/zinc/22/00/66/158220066.db2.gz MASNDBPHDIQOBT-JTQLQIEISA-N 0 0 310.375 0.904 10 0 DCAERN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CC(CO)C2)C1 ZINC000122718451 158222715 /nfs/dbraw/zinc/22/27/15/158222715.db2.gz FQMOYKRXBWVAII-MRXNPFEDSA-N 0 0 316.401 0.918 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000122714753 158222847 /nfs/dbraw/zinc/22/28/47/158222847.db2.gz DWCPQXBRYFCCOU-CHWSQXEVSA-N 0 0 318.439 0.874 10 0 DCAERN Cc1csc(=O)n1CCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000122615983 158223069 /nfs/dbraw/zinc/22/30/69/158223069.db2.gz HVCXCDLFFYXZNJ-UHFFFAOYSA-N 0 0 306.347 0.741 10 0 DCAERN COCCNC(=O)c1ccc(N(C)CC(=O)NC(C)(C)C)nc1 ZINC000122967675 158225343 /nfs/dbraw/zinc/22/53/43/158225343.db2.gz VCYYLMQSLCGTDX-UHFFFAOYSA-N 0 0 322.409 0.809 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123354941 158229264 /nfs/dbraw/zinc/22/92/64/158229264.db2.gz KNSLJGSPVQUMMZ-GXTWGEPZSA-N 0 0 324.402 0.886 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000124598598 158244109 /nfs/dbraw/zinc/24/41/09/158244109.db2.gz GBNBWDBSCDFUHK-HNNXBMFYSA-N 0 0 317.389 0.934 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125056890 158250746 /nfs/dbraw/zinc/25/07/46/158250746.db2.gz IQETYRADRHVHGH-NSHDSACASA-N 0 0 305.338 0.104 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCC2=CCCC2)C1 ZINC000125957391 158261233 /nfs/dbraw/zinc/26/12/33/158261233.db2.gz LOWCKQGSKRGUJG-LBPRGKRZSA-N 0 0 301.412 0.820 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1Cc1nc(C2CCCC2)no1 ZINC000126301110 158263681 /nfs/dbraw/zinc/26/36/81/158263681.db2.gz JKTYBNOCXMALHN-AWEZNQCLSA-N 0 0 306.322 0.938 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@@H]2C1 ZINC000127144406 158271877 /nfs/dbraw/zinc/27/18/77/158271877.db2.gz TWIOLTTZOSTVTG-RTXFEEFZSA-N 0 0 307.350 0.189 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)NC[C@H]3CN(C4CC4)CCO3)cc12 ZINC000127391176 158272188 /nfs/dbraw/zinc/27/21/88/158272188.db2.gz DYSOTRHTQYLTBI-ZDUSSCGKSA-N 0 0 315.377 0.859 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000127288095 158273323 /nfs/dbraw/zinc/27/33/23/158273323.db2.gz LEQWKNXHZQZLNU-UHFFFAOYSA-N 0 0 321.377 0.394 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)C(C)C ZINC000127720955 158275810 /nfs/dbraw/zinc/27/58/10/158275810.db2.gz JRIDWTQLFWQMJW-CHWSQXEVSA-N 0 0 323.397 0.897 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000128671927 158282797 /nfs/dbraw/zinc/28/27/97/158282797.db2.gz WDMJMFURQLVWPC-KRWDZBQOSA-N 0 0 322.405 0.937 10 0 DCAERN C[C@@H](O)CNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000128629004 158282900 /nfs/dbraw/zinc/28/29/00/158282900.db2.gz AGBHFPWQXCHBPC-SECBINFHSA-N 0 0 300.355 0.994 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000129122026 158285776 /nfs/dbraw/zinc/28/57/76/158285776.db2.gz DZIYGJLUKADWML-UTUOFQBUSA-N 0 0 309.370 0.086 10 0 DCAERN CCCCS(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129386183 158289055 /nfs/dbraw/zinc/28/90/55/158289055.db2.gz CJHARVZHUFNNBD-SNVBAGLBSA-N 0 0 302.400 0.979 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000130537231 158296067 /nfs/dbraw/zinc/29/60/67/158296067.db2.gz XYGMYHKMTKDKNX-IJLUTSLNSA-N 0 0 304.412 0.484 10 0 DCAERN CN(CC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C(N)=O ZINC000131081967 158299039 /nfs/dbraw/zinc/29/90/39/158299039.db2.gz CAQKNEHLHFGKPQ-UHFFFAOYSA-N 0 0 305.313 0.638 10 0 DCAERN COCCN1C[C@@H](C(=O)NCc2nccn2CC(C)C)CC1=O ZINC000131494359 158303318 /nfs/dbraw/zinc/30/33/18/158303318.db2.gz SZLNTZVAXLHDME-ZDUSSCGKSA-N 0 0 322.409 0.650 10 0 DCAERN CNC(=O)c1ccc(CN(C)c2cncc(OCCO)n2)cc1 ZINC000133025113 158315389 /nfs/dbraw/zinc/31/53/89/158315389.db2.gz NHERUHVHRCPIDP-UHFFFAOYSA-N 0 0 316.361 0.844 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)CO)CC1 ZINC000133471842 158319535 /nfs/dbraw/zinc/31/95/35/158319535.db2.gz KIEVBMCKYFAWKD-MNOVXSKESA-N 0 0 306.428 0.181 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2)o1 ZINC000133405183 158319714 /nfs/dbraw/zinc/31/97/14/158319714.db2.gz VAPBJZNSLNZWDJ-ZYHUDNBSSA-N 0 0 301.364 0.921 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000133639382 158321009 /nfs/dbraw/zinc/32/10/09/158321009.db2.gz SRHXNQNJGBISHP-UHFFFAOYSA-N 0 0 321.352 0.175 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133785448 158321320 /nfs/dbraw/zinc/32/13/20/158321320.db2.gz ZWWLFNQRRFNENS-LLVKDONJSA-N 0 0 307.398 0.749 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CN1CCCC1=O)CC2 ZINC000133715245 158322214 /nfs/dbraw/zinc/32/22/14/158322214.db2.gz NFOFRNFPFOEDKB-NSHDSACASA-N 0 0 305.382 0.455 10 0 DCAERN O=C(CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)NCC(F)(F)F ZINC000133753456 158322440 /nfs/dbraw/zinc/32/24/40/158322440.db2.gz AJHYJDVIEMHVEG-NXEZZACHSA-N 0 0 323.315 0.875 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000134062285 158323978 /nfs/dbraw/zinc/32/39/78/158323978.db2.gz NNMGRQPJCIFKHE-LBPRGKRZSA-N 0 0 301.364 0.923 10 0 DCAERN CCC(C)(C)[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000134113735 158324020 /nfs/dbraw/zinc/32/40/20/158324020.db2.gz CNHIQWZGPMBQRT-GFCCVEGCSA-N 0 0 307.394 0.974 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)c1nc2ccccc2c(=O)[nH]1 ZINC000134178781 158324529 /nfs/dbraw/zinc/32/45/29/158324529.db2.gz JECMXGNGODXAQS-LLVKDONJSA-N 0 0 317.345 0.849 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000135752501 158339896 /nfs/dbraw/zinc/33/98/96/158339896.db2.gz OEGXNWVHWAOOKB-TZMCWYRMSA-N 0 0 318.377 0.852 10 0 DCAERN CCn1ccnc1CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135691743 158340168 /nfs/dbraw/zinc/34/01/68/158340168.db2.gz YRFOZLDPCCQWQQ-ZDUSSCGKSA-N 0 0 312.439 0.903 10 0 DCAERN Cc1c(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C ZINC000136088886 158341752 /nfs/dbraw/zinc/34/17/52/158341752.db2.gz DFFPMZNWBWHMRA-OAHLLOKOSA-N 0 0 306.410 0.594 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)c1cnn(C)c1)CC2 ZINC000136844605 158343843 /nfs/dbraw/zinc/34/38/43/158343843.db2.gz DDHCLKJTWWVMOM-NSHDSACASA-N 0 0 316.365 0.449 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CSC(=O)N1)CC2 ZINC000136842331 158344305 /nfs/dbraw/zinc/34/43/05/158344305.db2.gz SRNUHZPWRLGBRC-DTWKUNHWSA-N 0 0 309.395 0.658 10 0 DCAERN c1ccc(-c2n[nH]c(CCNc3ccc4nnnn4n3)n2)cc1 ZINC000162141188 158358528 /nfs/dbraw/zinc/35/85/28/158358528.db2.gz BLHKPIWDDLPABW-UHFFFAOYSA-N 0 0 307.321 0.959 10 0 DCAERN COc1cc(NC(=O)N2CCN(Cc3ccon3)CC2)ncn1 ZINC000161822218 158359129 /nfs/dbraw/zinc/35/91/29/158359129.db2.gz QNGOVPKYMKGUOF-UHFFFAOYSA-N 0 0 318.337 0.823 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1 ZINC000166554323 158365994 /nfs/dbraw/zinc/36/59/94/158365994.db2.gz ZCTSNCLOGWPGKV-CYBMUJFWSA-N 0 0 318.377 0.880 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000167583363 158370164 /nfs/dbraw/zinc/37/01/64/158370164.db2.gz VMMHWHWGMYRZRH-WCQYABFASA-N 0 0 314.407 0.964 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)O)C2)cc1 ZINC000168231304 158370596 /nfs/dbraw/zinc/37/05/96/158370596.db2.gz DURCVLCVLRBYNH-JQWIXIFHSA-N 0 0 312.391 0.438 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1F ZINC000171171259 158380360 /nfs/dbraw/zinc/38/03/60/158380360.db2.gz SFZJPYOORFOSRK-MRVPVSSYSA-N 0 0 304.285 0.184 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccnc1-n1cncn1 ZINC000171377694 158382068 /nfs/dbraw/zinc/38/20/68/158382068.db2.gz QMGIRMBYEQIULG-GHMZBOCLSA-N 0 0 301.306 0.088 10 0 DCAERN COCCCNC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503757 158382840 /nfs/dbraw/zinc/38/28/40/158382840.db2.gz ZXCMNHMRACYIPW-ZDUSSCGKSA-N 0 0 310.398 0.785 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1cccn1 ZINC000171710688 158386672 /nfs/dbraw/zinc/38/66/72/158386672.db2.gz KQTWVCFVQFLGDF-LLVKDONJSA-N 0 0 314.349 0.297 10 0 DCAERN O=C(CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)NC1CC1 ZINC000172122796 158391019 /nfs/dbraw/zinc/39/10/19/158391019.db2.gz KGFJJVNVKRCNJJ-ODOQXGPZSA-N 0 0 309.410 0.848 10 0 DCAERN CC[C@@H](NC(=O)NCCNS(C)(=O)=O)c1nccs1 ZINC000172347266 158394175 /nfs/dbraw/zinc/39/41/75/158394175.db2.gz MOOXWJIAETZSSC-MRVPVSSYSA-N 0 0 306.413 0.443 10 0 DCAERN CNC(=O)c1ccc(NC(=O)CNC(=O)c2ccccn2)cc1 ZINC000172494155 158395007 /nfs/dbraw/zinc/39/50/07/158395007.db2.gz QRRZPERPDRHAOZ-UHFFFAOYSA-N 0 0 312.329 0.810 10 0 DCAERN CC(C)[C@H](C)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000172441716 158395062 /nfs/dbraw/zinc/39/50/62/158395062.db2.gz CDXJOZUPDJKGSD-SNVBAGLBSA-N 0 0 318.377 0.654 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172557592 158395525 /nfs/dbraw/zinc/39/55/25/158395525.db2.gz WXXLCGZGHDVIBR-WOPDTQHZSA-N 0 0 310.398 0.341 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)CCc2ccc(C)cc2)n1 ZINC000172671663 158398165 /nfs/dbraw/zinc/39/81/65/158398165.db2.gz KQMBWEPXACVKGM-UHFFFAOYSA-N 0 0 301.350 0.904 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172744393 158398332 /nfs/dbraw/zinc/39/83/32/158398332.db2.gz PBVYSWSYTLMOHK-NSHDSACASA-N 0 0 312.801 0.929 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)n(C)c1 ZINC000172766785 158399418 /nfs/dbraw/zinc/39/94/18/158399418.db2.gz URHFNTNRZBCIQX-AWEZNQCLSA-N 0 0 305.378 0.774 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172767153 158399524 /nfs/dbraw/zinc/39/95/24/158399524.db2.gz VWFDXFBSYQEQFM-AWEZNQCLSA-N 0 0 303.362 0.558 10 0 DCAERN COCc1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)no1 ZINC000173807429 158410868 /nfs/dbraw/zinc/41/08/68/158410868.db2.gz VUDGPWHBFJWJAW-NSHDSACASA-N 0 0 319.365 0.953 10 0 DCAERN CCOc1ccccc1CCC(=O)N[C@H]1CCC(=O)NC1=O ZINC000174269596 158416458 /nfs/dbraw/zinc/41/64/58/158416458.db2.gz AOKUQPFAKOZHJF-LBPRGKRZSA-N 0 0 304.346 0.939 10 0 DCAERN CC(C)c1nc(C2(NC(=O)Cn3cnnn3)CCCC2)no1 ZINC000175190762 158424940 /nfs/dbraw/zinc/42/49/40/158424940.db2.gz GEXGAGFKGAMWAP-UHFFFAOYSA-N 0 0 305.342 0.765 10 0 DCAERN Cc1cc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)n(C)n1 ZINC000175616065 158428621 /nfs/dbraw/zinc/42/86/21/158428621.db2.gz JKQYPGTXOARJND-ZDUSSCGKSA-N 0 0 323.397 0.733 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000176898142 158442557 /nfs/dbraw/zinc/44/25/57/158442557.db2.gz NQDLUPRZCRPWPQ-IINYFYTJSA-N 0 0 306.410 0.953 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NCCc1cc(F)ccc1F ZINC000177124524 158445247 /nfs/dbraw/zinc/44/52/47/158445247.db2.gz PIRRXJDIDUIULJ-UHFFFAOYSA-N 0 0 311.288 0.565 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178707852 158462338 /nfs/dbraw/zinc/46/23/38/158462338.db2.gz NYEHADMRFHYSFF-UONOGXRCSA-N 0 0 321.402 0.974 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCCF)CC2 ZINC000181723895 158488211 /nfs/dbraw/zinc/48/82/11/158488211.db2.gz SKIQTJCNXAZHPT-JTQLQIEISA-N 0 0 304.391 0.995 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)CCC(C)C)n1 ZINC000183767858 158502868 /nfs/dbraw/zinc/50/28/68/158502868.db2.gz VOJQMONXFJLBDU-LBPRGKRZSA-N 0 0 324.381 0.830 10 0 DCAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2nccs2)n1 ZINC000185072873 158514220 /nfs/dbraw/zinc/51/42/20/158514220.db2.gz NYBFQYPYDVKINX-VIFPVBQESA-N 0 0 309.351 0.847 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N1CCO[C@@]2(CCOC2)C1 ZINC000186024732 158526117 /nfs/dbraw/zinc/52/61/17/158526117.db2.gz SKHJFHPGJRRBRA-KRWDZBQOSA-N 0 0 316.357 0.742 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000189756594 158555106 /nfs/dbraw/zinc/55/51/06/158555106.db2.gz HLGJNRQKKWTCJS-KGLIPLIRSA-N 0 0 322.409 0.951 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189807674 158555918 /nfs/dbraw/zinc/55/59/18/158555918.db2.gz GTCMBTZSWLPGFY-CYBMUJFWSA-N 0 0 309.410 0.716 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccc(C)cc1 ZINC000189866975 158556124 /nfs/dbraw/zinc/55/61/24/158556124.db2.gz PLEPFQAXYWWTIG-UKRRQHHQSA-N 0 0 306.362 0.472 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CO[C@@H]2CCCc3c[nH]nc32)C1 ZINC000190163599 158558271 /nfs/dbraw/zinc/55/82/71/158558271.db2.gz ARTUEMXVCRKECJ-NWDGAFQWSA-N 0 0 306.366 0.528 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190286903 158559039 /nfs/dbraw/zinc/55/90/39/158559039.db2.gz CDNJXMLGTAHYDH-CABZTGNLSA-N 0 0 312.391 0.824 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCC(=O)N1CCCCC1 ZINC000191213642 158566661 /nfs/dbraw/zinc/56/66/61/158566661.db2.gz LEPQHMLVYQMPRQ-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191195479 158566720 /nfs/dbraw/zinc/56/67/20/158566720.db2.gz YBBIHFUIWBIJJQ-GFCCVEGCSA-N 0 0 307.398 0.499 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H](C)n3cncn3)CC2)[nH]1 ZINC000191484449 158568273 /nfs/dbraw/zinc/56/82/73/158568273.db2.gz HOSWUQDFKMVPCP-JTQLQIEISA-N 0 0 303.370 0.926 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)CC1=O ZINC000191513174 158568690 /nfs/dbraw/zinc/56/86/90/158568690.db2.gz CXIRDDUPDKBUQS-UHFFFAOYSA-N 0 0 315.251 0.691 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000191582659 158569845 /nfs/dbraw/zinc/56/98/45/158569845.db2.gz POVSCIHCBZGGTL-NSHDSACASA-N 0 0 301.350 0.864 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194615562 158599017 /nfs/dbraw/zinc/59/90/17/158599017.db2.gz CJIMGCZDBSLQDU-XUSGNXJCSA-N 0 0 310.419 0.875 10 0 DCAERN C[C@H]1CO[C@H](CO)CN1S(=O)(=O)CCCC(F)(F)F ZINC000213787077 158613787 /nfs/dbraw/zinc/61/37/87/158613787.db2.gz JQPOBAPFZHQUSH-IUCAKERBSA-N 0 0 305.318 0.740 10 0 DCAERN COCCOC[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000246091881 158656917 /nfs/dbraw/zinc/65/69/17/158656917.db2.gz GRFNIDXPPUWEJU-UONOGXRCSA-N 0 0 320.455 0.948 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C[C@H](C)CS(C)(=O)=O)C1CC1 ZINC000246478301 158664463 /nfs/dbraw/zinc/66/44/63/158664463.db2.gz HHWCCCJMSSIQMT-WDEREUQCSA-N 0 0 311.469 0.565 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CN3CCCCC3=O)[C@H]2C1 ZINC000246553574 158667527 /nfs/dbraw/zinc/66/75/27/158667527.db2.gz LKXWDJWUZVZEEP-RDBSUJKOSA-N 0 0 310.394 0.794 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)CC2 ZINC000248983410 158700858 /nfs/dbraw/zinc/70/08/58/158700858.db2.gz WCEKVRCTPXNAHT-QJPTWQEYSA-N 0 0 307.398 0.616 10 0 DCAERN Cc1cc(C(=O)N2CCN(C(=O)CO)CC2)c(C)n1C1CC1 ZINC000305786429 158992786 /nfs/dbraw/zinc/99/27/86/158992786.db2.gz BCGXCOMSDJBSHF-UHFFFAOYSA-N 0 0 305.378 0.717 10 0 DCAERN O=C1[C@@H](N2CCC[C@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609216 159014620 /nfs/dbraw/zinc/01/46/20/159014620.db2.gz MOCFBNORXDXUKK-GJZGRUSLSA-N 0 0 319.409 0.695 10 0 DCAERN CN(C(=O)C[C@@H]1CCCCNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000328745720 159025621 /nfs/dbraw/zinc/02/56/21/159025621.db2.gz AGUANYAKWIBQMH-WDEREUQCSA-N 0 0 302.396 0.779 10 0 DCAERN C[C@H](CC(=O)N1CCn2cnnc2[C@@H]1C)N1CCCCC1=O ZINC000328744524 159025736 /nfs/dbraw/zinc/02/57/36/159025736.db2.gz OAWYWIBUIHUBRY-NEPJUHHUSA-N 0 0 305.382 0.972 10 0 DCAERN COc1cc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)ccc1F ZINC000328735904 159025929 /nfs/dbraw/zinc/02/59/29/159025929.db2.gz KWDGMKJQQJXFMU-AOOOYVTPSA-N 0 0 317.338 0.623 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328754229 159026437 /nfs/dbraw/zinc/02/64/37/159026437.db2.gz DSOIOTFFKDTOCW-QWRGUYRKSA-N 0 0 317.411 0.283 10 0 DCAERN O=C1C[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@@H]2CCCCN12 ZINC000328752716 159026586 /nfs/dbraw/zinc/02/65/86/159026586.db2.gz RZENEMXHCHXHJE-WOPDTQHZSA-N 0 0 302.396 0.096 10 0 DCAERN CCn1nccc1CN(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000328791042 159030074 /nfs/dbraw/zinc/03/00/74/159030074.db2.gz ZBIQUZFRLBHVCK-GFCCVEGCSA-N 0 0 314.411 0.574 10 0 DCAERN Cc1cc(CS(=O)(=O)NC[C@@H](C)CN2CCOCC2)no1 ZINC000328830921 159033063 /nfs/dbraw/zinc/03/30/63/159033063.db2.gz KCYRNFNYKKEVLC-LLVKDONJSA-N 0 0 317.411 0.371 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC3CCOCC3)C[C@H]21 ZINC000328858567 159034865 /nfs/dbraw/zinc/03/48/65/159034865.db2.gz DORYZHBAIGWORD-HUUCEWRRSA-N 0 0 312.410 0.504 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@@H]21 ZINC000328911003 159040856 /nfs/dbraw/zinc/04/08/56/159040856.db2.gz NVOLZMURZPFUKJ-KBPBESRZSA-N 0 0 302.378 0.899 10 0 DCAERN CN1CCO[C@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@@H]21 ZINC000328926895 159042544 /nfs/dbraw/zinc/04/25/44/159042544.db2.gz WSFRUBCHISBPFZ-UWVGGRQHSA-N 0 0 320.319 0.140 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000329011236 159052028 /nfs/dbraw/zinc/05/20/28/159052028.db2.gz IFFKYLKMRVHVSK-JOYOIKCWSA-N 0 0 319.390 0.966 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329044588 159054682 /nfs/dbraw/zinc/05/46/82/159054682.db2.gz ULGGGRWOFNSRDX-NWDGAFQWSA-N 0 0 316.365 0.034 10 0 DCAERN C[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)N1CCOCC1 ZINC000329092460 159061345 /nfs/dbraw/zinc/06/13/45/159061345.db2.gz JWECSDWOMNADME-CYBMUJFWSA-N 0 0 309.410 0.321 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 ZINC000329143034 159066270 /nfs/dbraw/zinc/06/62/70/159066270.db2.gz LTOKWMPHDMELIJ-HNNXBMFYSA-N 0 0 321.425 0.608 10 0 DCAERN Cc1nccn1-c1cncc(N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000329135547 159066700 /nfs/dbraw/zinc/06/67/00/159066700.db2.gz GLBBDYHMRAHHSC-UHFFFAOYSA-N 0 0 323.360 0.627 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)nc1 ZINC000329169931 159069738 /nfs/dbraw/zinc/06/97/38/159069738.db2.gz JKTMOFGJTUKRNG-LSDHHAIUSA-N 0 0 305.378 0.564 10 0 DCAERN O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198096 159072629 /nfs/dbraw/zinc/07/26/29/159072629.db2.gz AGYBUGVYYYZSHS-GOEBONIOSA-N 0 0 314.401 0.953 10 0 DCAERN CS(=O)(=O)CC1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000329232732 159075274 /nfs/dbraw/zinc/07/52/74/159075274.db2.gz LMRPZGJIZXKUEF-JHJVBQTASA-N 0 0 301.408 0.695 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(S(C)(=O)=O)cn1 ZINC000329258207 159077639 /nfs/dbraw/zinc/07/76/39/159077639.db2.gz ACVGRBQRSKFEBR-WCBMZHEXSA-N 0 0 304.393 0.330 10 0 DCAERN Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc(=O)n(C)[nH]3)C2=O)cc1 ZINC000329315524 159082556 /nfs/dbraw/zinc/08/25/56/159082556.db2.gz BAMDJRLWKMVORD-OAHLLOKOSA-N 0 0 315.333 0.588 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC(=O)Nc3cnccc32)O1 ZINC000329345031 159083843 /nfs/dbraw/zinc/08/38/43/159083843.db2.gz UNANWWHLMJDGIE-NEPJUHHUSA-N 0 0 318.333 0.652 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCSC[C@@H]2C)nn1 ZINC000329349430 159084338 /nfs/dbraw/zinc/08/43/38/159084338.db2.gz WLPJDTKENYJJRZ-MVWJERBFSA-N 0 0 312.395 0.442 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NC[C@H]2CCc3nccn3C2)CCO1 ZINC000329369162 159086072 /nfs/dbraw/zinc/08/60/72/159086072.db2.gz AJAAVNWJLMSIDM-JHJVBQTASA-N 0 0 313.423 0.932 10 0 DCAERN CN1CN(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1=O ZINC000329450295 159094810 /nfs/dbraw/zinc/09/48/10/159094810.db2.gz ORQCTJOZKSVALP-UHFFFAOYSA-N 0 0 302.334 0.842 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H](OC)C[C@H]1CO ZINC000329470570 159095329 /nfs/dbraw/zinc/09/53/29/159095329.db2.gz YHCJWUKGHCIXFA-REWJHTLYSA-N 0 0 323.393 0.589 10 0 DCAERN C[C@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000329469138 159095587 /nfs/dbraw/zinc/09/55/87/159095587.db2.gz XHFFWBPUFXSYHK-RYUDHWBXSA-N 0 0 321.464 0.934 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)O1 ZINC000329535031 159100617 /nfs/dbraw/zinc/10/06/17/159100617.db2.gz ZAIQSHNLGKLWQQ-CKIKVBCHSA-N 0 0 323.393 0.785 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329608706 159106428 /nfs/dbraw/zinc/10/64/28/159106428.db2.gz CQLUWEKRQHJGHU-GFCCVEGCSA-N 0 0 319.409 0.556 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H]3CCC[C@H]32)nn1 ZINC000329614788 159106994 /nfs/dbraw/zinc/10/69/94/159106994.db2.gz DAHSYSBRYYIMLO-YIYPIFLZSA-N 0 0 322.365 0.258 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H](C)[C@@H]2C)nn1 ZINC000329663013 159109894 /nfs/dbraw/zinc/10/98/94/159109894.db2.gz PRJHFOYJNFXUSI-YRRQLQLVSA-N 0 0 310.354 0.114 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCN2C(=O)N=NC2C1)c1ccccc1 ZINC000329808164 159121059 /nfs/dbraw/zinc/12/10/59/159121059.db2.gz ANEWJEMUOFKBPD-LLVKDONJSA-N 0 0 322.390 0.933 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC1CC1 ZINC000329906083 159127647 /nfs/dbraw/zinc/12/76/47/159127647.db2.gz JYFFTXRIEFNQID-JTQLQIEISA-N 0 0 300.384 0.589 10 0 DCAERN CCc1nc(C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)co1 ZINC000330009884 159135401 /nfs/dbraw/zinc/13/54/01/159135401.db2.gz HQZAJZULUMMUQI-LBPRGKRZSA-N 0 0 319.365 0.987 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)cn1 ZINC000330153219 159145884 /nfs/dbraw/zinc/14/58/84/159145884.db2.gz MOBRMSVNFIDCDN-ZDUSSCGKSA-N 0 0 317.349 0.060 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000330158804 159146156 /nfs/dbraw/zinc/14/61/56/159146156.db2.gz QGKFHURKMRCSKS-LLVKDONJSA-N 0 0 300.366 0.887 10 0 DCAERN CCN1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC1=O ZINC000330161187 159146600 /nfs/dbraw/zinc/14/66/00/159146600.db2.gz STXWVKAAYJREFP-UHFFFAOYSA-N 0 0 300.318 0.045 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H]1CCCOC1 ZINC000330170244 159147305 /nfs/dbraw/zinc/14/73/05/159147305.db2.gz BSESLASFRCVIHU-KBPBESRZSA-N 0 0 318.439 0.876 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000330165562 159147489 /nfs/dbraw/zinc/14/74/89/159147489.db2.gz UQGRPOJBCLJJQJ-GHMZBOCLSA-N 0 0 310.383 0.474 10 0 DCAERN COc1cc(C(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)on1 ZINC000330187862 159148745 /nfs/dbraw/zinc/14/87/45/159148745.db2.gz KSCJIGCEWPPWTN-IUCAKERBSA-N 0 0 308.294 0.977 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@]3(C)CCCNC3=O)CC2=O)cn1 ZINC000330239997 159153098 /nfs/dbraw/zinc/15/30/98/159153098.db2.gz INLHMCLFJWOWTM-OAHLLOKOSA-N 0 0 319.365 0.352 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@H]1OC ZINC000330261765 159154984 /nfs/dbraw/zinc/15/49/84/159154984.db2.gz PICRSAWWMZQLEV-HUUCEWRRSA-N 0 0 321.377 0.404 10 0 DCAERN CC(=O)CCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000330386129 159167089 /nfs/dbraw/zinc/16/70/89/159167089.db2.gz UOUKNXQTEGDDPU-AWEZNQCLSA-N 0 0 323.437 0.947 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)C(C)(C)C ZINC000330414262 159169904 /nfs/dbraw/zinc/16/99/04/159169904.db2.gz WEJFTBAPHAKUIO-SNVBAGLBSA-N 0 0 301.412 0.186 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2ncccn2)CC(C)(C)O1 ZINC000330508147 159183298 /nfs/dbraw/zinc/18/32/98/159183298.db2.gz AFWQKCYWRJDLRX-CYBMUJFWSA-N 0 0 322.409 0.561 10 0 DCAERN COCc1cccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1 ZINC000330527437 159186839 /nfs/dbraw/zinc/18/68/39/159186839.db2.gz LDSJVLRUFJYMIR-RYUDHWBXSA-N 0 0 303.355 0.926 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000330609316 159202137 /nfs/dbraw/zinc/20/21/37/159202137.db2.gz NTJSURPMTVERNE-IHRRRGAJSA-N 0 0 314.426 0.519 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000330627742 159204707 /nfs/dbraw/zinc/20/47/07/159204707.db2.gz KNVZCPGUXRRHRG-QJPTWQEYSA-N 0 0 318.439 0.182 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000332723411 159211021 /nfs/dbraw/zinc/21/10/21/159211021.db2.gz PCEXZBBWGXQXOS-VXGBXAGGSA-N 0 0 319.409 0.802 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@]1(O)CCOC1)CCC2 ZINC000332748963 159212376 /nfs/dbraw/zinc/21/23/76/159212376.db2.gz YDAMVQJLHGFMSS-IUODEOHRSA-N 0 0 308.382 0.520 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)CCO1 ZINC000332759646 159213546 /nfs/dbraw/zinc/21/35/46/159213546.db2.gz VNMVQBLZELUNJQ-HZSPNIEDSA-N 0 0 311.382 0.100 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000332990502 159218282 /nfs/dbraw/zinc/21/82/82/159218282.db2.gz RENQVNFUTOEIBJ-HQRZJTNHSA-N 0 0 318.373 0.649 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@H](C)OC[C@H]2C)n1 ZINC000359253389 159257772 /nfs/dbraw/zinc/25/77/72/159257772.db2.gz YPCYJLVDSDYLME-NEPJUHHUSA-N 0 0 321.377 0.385 10 0 DCAERN C[C@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)N(C)C ZINC000361417491 159272000 /nfs/dbraw/zinc/27/20/00/159272000.db2.gz XBDHIAKEICFAHL-NSHDSACASA-N 0 0 318.381 0.438 10 0 DCAERN Cc1c(/C=C/C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cnn1C ZINC000366753342 159283626 /nfs/dbraw/zinc/28/36/26/159283626.db2.gz BPCZOBLSKOBPNZ-BTDICHCPSA-N 0 0 312.395 0.021 10 0 DCAERN CN(C)c1ncnc(Cl)c1CN1CCN2CCOC[C@H]2C1 ZINC000366978413 159301797 /nfs/dbraw/zinc/30/17/97/159301797.db2.gz YQJORJCRTZVNOT-LLVKDONJSA-N 0 0 311.817 0.712 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000367175563 159319203 /nfs/dbraw/zinc/31/92/03/159319203.db2.gz YKXADHWISQMQJW-QWRGUYRKSA-N 0 0 314.382 0.367 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000367265150 159326094 /nfs/dbraw/zinc/32/60/94/159326094.db2.gz SNTNWWGLANWGOD-HZMBPMFUSA-N 0 0 320.361 0.459 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000367330109 159331288 /nfs/dbraw/zinc/33/12/88/159331288.db2.gz LJQLTNRCJKNHKQ-WCQYABFASA-N 0 0 308.407 0.835 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000367344612 159332286 /nfs/dbraw/zinc/33/22/86/159332286.db2.gz ZIESDOJBGDSDNC-SNVBAGLBSA-N 0 0 319.365 0.244 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000368435222 159393938 /nfs/dbraw/zinc/39/39/38/159393938.db2.gz YKCOITKJUHPPNH-UTUOFQBUSA-N 0 0 313.427 0.925 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1)n1cncn1 ZINC000369283830 159447401 /nfs/dbraw/zinc/44/74/01/159447401.db2.gz FHZLEDQHDXIBIP-NWDGAFQWSA-N 0 0 323.422 0.406 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000369381079 159454153 /nfs/dbraw/zinc/45/41/53/159454153.db2.gz ZGKUSULGGVMNQT-JTQLQIEISA-N 0 0 313.350 0.290 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000370237234 159505559 /nfs/dbraw/zinc/50/55/59/159505559.db2.gz YKMLESQTLXZJAE-STQMWFEESA-N 0 0 324.406 0.241 10 0 DCAERN Cn1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1=O ZINC000373373021 159677656 /nfs/dbraw/zinc/67/76/56/159677656.db2.gz MJHQDLKDCRQTKH-UHFFFAOYSA-N 0 0 302.305 0.868 10 0 DCAERN CCN(C)S(=O)(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375247418 159779241 /nfs/dbraw/zinc/77/92/41/159779241.db2.gz FWODJCUGJJQTRT-SNVBAGLBSA-N 0 0 300.384 0.933 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC(Cc2cccnc2)CC1 ZINC000375692946 159811235 /nfs/dbraw/zinc/81/12/35/159811235.db2.gz QDRXHGLPPHGAAC-UHFFFAOYSA-N 0 0 317.389 0.722 10 0 DCAERN CC(=O)CCCC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000376027776 159833927 /nfs/dbraw/zinc/83/39/27/159833927.db2.gz YWTVJJSVBVYVJQ-LBPRGKRZSA-N 0 0 304.412 0.628 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cncnc1-n1cccn1 ZINC000376179013 159842529 /nfs/dbraw/zinc/84/25/29/159842529.db2.gz WMGQFFQNIFMTAO-LLVKDONJSA-N 0 0 318.362 0.522 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000407971207 160000050 /nfs/dbraw/zinc/00/00/50/160000050.db2.gz HIEVEWVEKLWFIE-QWHCGFSZSA-N 0 0 304.412 0.486 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407971696 160000271 /nfs/dbraw/zinc/00/02/71/160000271.db2.gz QMJCCNZJOABXFF-OLZOCXBDSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000407975172 160000459 /nfs/dbraw/zinc/00/04/59/160000459.db2.gz WFAGPXNCNGMFCQ-IJLUTSLNSA-N 0 0 304.412 0.471 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000407978810 160001533 /nfs/dbraw/zinc/00/15/33/160001533.db2.gz HQCBDBRUJRHSQP-DGCLKSJQSA-N 0 0 309.410 0.522 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCCNC2=O)C1 ZINC000407978851 160001567 /nfs/dbraw/zinc/00/15/67/160001567.db2.gz ILFTVXBTIAASRQ-AVGNSLFASA-N 0 0 309.410 0.666 10 0 DCAERN CS(=O)(=O)N1CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000407979775 160001607 /nfs/dbraw/zinc/00/16/07/160001607.db2.gz AWKQOARPADJQRH-CYBMUJFWSA-N 0 0 306.428 0.497 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000407979107 160001715 /nfs/dbraw/zinc/00/17/15/160001715.db2.gz PEWOFBJAQGIGII-HUUCEWRRSA-N 0 0 324.469 0.386 10 0 DCAERN Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cccc1S(N)(=O)=O ZINC000407980654 160001754 /nfs/dbraw/zinc/00/17/54/160001754.db2.gz LJHYRDZPWYSARD-PHIMTYICSA-N 0 0 310.375 0.646 10 0 DCAERN C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000407983785 160002854 /nfs/dbraw/zinc/00/28/54/160002854.db2.gz RMVVAFLZOIIZEW-QWHCGFSZSA-N 0 0 309.410 0.857 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)C(=O)N2CCC[C@H](C)C2)n1 ZINC000407987817 160003261 /nfs/dbraw/zinc/00/32/61/160003261.db2.gz FJRAVBKZOHXEND-ZMLRMANQSA-N 0 0 322.365 0.271 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1 ZINC000407991386 160004948 /nfs/dbraw/zinc/00/49/48/160004948.db2.gz UXRITFUFCFZLAO-BARDWOONSA-N 0 0 324.421 0.633 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NC1CCC(C(=O)NC)CC1 ZINC000407991599 160005042 /nfs/dbraw/zinc/00/50/42/160005042.db2.gz VZOZCYGWKUNOMB-HTAVTVPLSA-N 0 0 310.398 0.211 10 0 DCAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@@H](CO)C1 ZINC000408003404 160007809 /nfs/dbraw/zinc/00/78/09/160007809.db2.gz RPIAOZLAOBTANI-GHMZBOCLSA-N 0 0 310.316 0.480 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000408005322 160008823 /nfs/dbraw/zinc/00/88/23/160008823.db2.gz UMWNYNLMEDLUHB-VHSXEESVSA-N 0 0 307.316 0.656 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000408007120 160009786 /nfs/dbraw/zinc/00/97/86/160009786.db2.gz FJYBHKQUYQYPNX-VIFPVBQESA-N 0 0 318.333 0.747 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)CC2 ZINC000408011433 160010607 /nfs/dbraw/zinc/01/06/07/160010607.db2.gz QXCXUXTYSLKSPY-SRVKXCTJSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000408017458 160011876 /nfs/dbraw/zinc/01/18/76/160011876.db2.gz SFDLSSHTXSLPCI-VXGBXAGGSA-N 0 0 314.411 0.340 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408017384 160012551 /nfs/dbraw/zinc/01/25/51/160012551.db2.gz RQYMVRPQQDYBHD-OLZOCXBDSA-N 0 0 305.444 0.368 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2sc(C)nc2C)C1 ZINC000408026378 160014557 /nfs/dbraw/zinc/01/45/57/160014557.db2.gz DOUNBFLVPQPOIZ-UWVGGRQHSA-N 0 0 306.409 0.530 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CCO[C@H](CO)C3)(CC1)CC2 ZINC000408026451 160014568 /nfs/dbraw/zinc/01/45/68/160014568.db2.gz FBLBWQWELLXRPD-JQRITLKVSA-N 0 0 311.378 0.720 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024013 160014974 /nfs/dbraw/zinc/01/49/74/160014974.db2.gz WYQIADXTDKFQQI-OLZOCXBDSA-N 0 0 311.426 0.470 10 0 DCAERN CN1CC[C@@H]2OCCN(S(=O)(=O)c3cncc(F)c3)[C@H]2C1 ZINC000408026394 160015060 /nfs/dbraw/zinc/01/50/60/160015060.db2.gz DQVXGUCGUPALQR-STQMWFEESA-N 0 0 315.370 0.314 10 0 DCAERN NC(=O)N[C@@H]1CCN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000408024061 160015094 /nfs/dbraw/zinc/01/50/94/160015094.db2.gz XQLMBIJHEFSWNN-VHSXEESVSA-N 0 0 322.331 0.530 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)CC1CCOCC1 ZINC000408025508 160015171 /nfs/dbraw/zinc/01/51/71/160015171.db2.gz CDUPBFOEGKTRDS-STQMWFEESA-N 0 0 307.412 0.479 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408028798 160015563 /nfs/dbraw/zinc/01/55/63/160015563.db2.gz QPQDKQJDPNJECH-KOLCDFICSA-N 0 0 318.399 0.031 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2cnn(C)c(=O)c2Br)C1 ZINC000408032391 160017047 /nfs/dbraw/zinc/01/70/47/160017047.db2.gz WGQFCFLRQXPQLE-JGVFFNPUSA-N 0 0 318.171 0.129 10 0 DCAERN Cc1noc([C@@H]2CN([C@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033903 160017307 /nfs/dbraw/zinc/01/73/07/160017307.db2.gz BRYFNSFKYZJFCU-PWSUYJOCSA-N 0 0 309.414 0.970 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@H]1C(N)=O ZINC000408037729 160019310 /nfs/dbraw/zinc/01/93/10/160019310.db2.gz DOEGGJFTAZRPSQ-PSASIEDQSA-N 0 0 303.318 0.325 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000408041801 160020375 /nfs/dbraw/zinc/02/03/75/160020375.db2.gz IJXXEUKHYBBANW-CABCVRRESA-N 0 0 306.362 0.623 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000408041825 160020832 /nfs/dbraw/zinc/02/08/32/160020832.db2.gz IPEGCORVRNYMAY-HNNXBMFYSA-N 0 0 314.451 0.961 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCO[C@H]3CCC[C@H]32)cn1 ZINC000408045916 160021239 /nfs/dbraw/zinc/02/12/39/160021239.db2.gz UMMKBQMJSCOMFK-NEPJUHHUSA-N 0 0 307.354 0.414 10 0 DCAERN Cc1cncc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000408050901 160023361 /nfs/dbraw/zinc/02/33/61/160023361.db2.gz GDLVDPCPGRPESO-KGLIPLIRSA-N 0 0 321.352 0.801 10 0 DCAERN O=C(CN1CCOCC1)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408050661 160023588 /nfs/dbraw/zinc/02/35/88/160023588.db2.gz FGJUVVQBCDZPTR-RBSFLKMASA-N 0 0 312.410 0.097 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000408050989 160023839 /nfs/dbraw/zinc/02/38/39/160023839.db2.gz MJRIQVKLOYYFLD-CYBMUJFWSA-N 0 0 309.410 0.713 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCOC3(CCCC3)C2)C1 ZINC000408051564 160023885 /nfs/dbraw/zinc/02/38/85/160023885.db2.gz IFHXLTHJDMRICP-INIZCTEOSA-N 0 0 310.394 0.531 10 0 DCAERN Cc1cnccc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050340 160023911 /nfs/dbraw/zinc/02/39/11/160023911.db2.gz DBZZFZZKQZLSFZ-OCCSQVGLSA-N 0 0 321.352 0.801 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408054346 160024595 /nfs/dbraw/zinc/02/45/95/160024595.db2.gz ZHMIZYYTOPJYSI-NILFDRSVSA-N 0 0 307.394 0.985 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(C(C)=O)CC2)CCOCC1 ZINC000408058594 160025858 /nfs/dbraw/zinc/02/58/58/160025858.db2.gz CHWFENJQQOPPSB-UHFFFAOYSA-N 0 0 312.366 0.037 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000408059334 160025927 /nfs/dbraw/zinc/02/59/27/160025927.db2.gz CBRRTSIGUYIABQ-MNOVXSKESA-N 0 0 316.423 0.504 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cn12 ZINC000408061614 160026531 /nfs/dbraw/zinc/02/65/31/160026531.db2.gz KUAYCGCIKTVFPH-AWEZNQCLSA-N 0 0 315.377 0.584 10 0 DCAERN CC(C)[C@@H]1C[C@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CCO1 ZINC000408061768 160026604 /nfs/dbraw/zinc/02/66/04/160026604.db2.gz GBDXSIPFLWITFY-CXTNEJHOSA-N 0 0 312.410 0.929 10 0 DCAERN O=C(Cc1cncnc1)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408066401 160027554 /nfs/dbraw/zinc/02/75/54/160027554.db2.gz YADMRNFAQAJBKO-KFWWJZLASA-N 0 0 305.378 0.798 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408073355 160029182 /nfs/dbraw/zinc/02/91/82/160029182.db2.gz QGWXRZFCBRVVHY-UMNHJUIQSA-N 0 0 304.412 0.183 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408075807 160030451 /nfs/dbraw/zinc/03/04/51/160030451.db2.gz XUJSWTSGGFSOTN-CPCZMJQVSA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCCC1)c1nnc2n1CCCCC2 ZINC000408079595 160031032 /nfs/dbraw/zinc/03/10/32/160031032.db2.gz HXXPXDUHTZYQSI-LLVKDONJSA-N 0 0 313.427 0.996 10 0 DCAERN C[C@H]1SCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)[C@H]1C ZINC000408080696 160032122 /nfs/dbraw/zinc/03/21/22/160032122.db2.gz PINFEBKMNSGNPT-DTWKUNHWSA-N 0 0 315.420 0.695 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408093564 160034226 /nfs/dbraw/zinc/03/42/26/160034226.db2.gz OUSHKJIIQLGFRS-QJPTWQEYSA-N 0 0 300.424 0.917 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408097105 160035260 /nfs/dbraw/zinc/03/52/60/160035260.db2.gz ILMPXEYDQAFYFI-SDDRHHMPSA-N 0 0 316.423 0.184 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000408104991 160036345 /nfs/dbraw/zinc/03/63/45/160036345.db2.gz GDEXHLFKDDFSKU-SCZZXKLOSA-N 0 0 301.368 0.399 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000408103694 160036744 /nfs/dbraw/zinc/03/67/44/160036744.db2.gz IVMCYEVPJJTHLI-QWRGUYRKSA-N 0 0 304.394 0.890 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000408105905 160037254 /nfs/dbraw/zinc/03/72/54/160037254.db2.gz WHFZETQFGUJMNI-UONOGXRCSA-N 0 0 308.382 0.041 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408127177 160042879 /nfs/dbraw/zinc/04/28/79/160042879.db2.gz DHVUFDUBUCKWES-QWHCGFSZSA-N 0 0 307.394 0.326 10 0 DCAERN Nc1nccnc1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408130113 160043402 /nfs/dbraw/zinc/04/34/02/160043402.db2.gz CLWMOPMIMOJTDA-NSHDSACASA-N 0 0 303.366 0.533 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408136100 160044999 /nfs/dbraw/zinc/04/49/99/160044999.db2.gz BDKIEGHAZFKCII-ZDUSSCGKSA-N 0 0 324.425 0.509 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000408143216 160047120 /nfs/dbraw/zinc/04/71/20/160047120.db2.gz ZSNAYWBGJPMIHT-LBPRGKRZSA-N 0 0 305.444 0.810 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000408150948 160048271 /nfs/dbraw/zinc/04/82/71/160048271.db2.gz NRDWHCFOUANLNR-AWEZNQCLSA-N 0 0 319.409 0.312 10 0 DCAERN CS(=O)(=O)C1(C(=O)NC2CCC(C(N)=O)CC2)CCCC1 ZINC000408148928 160048331 /nfs/dbraw/zinc/04/83/31/160048331.db2.gz FONMUPYJCWDOQW-UHFFFAOYSA-N 0 0 316.423 0.504 10 0 DCAERN COc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nn1C ZINC000408151705 160048424 /nfs/dbraw/zinc/04/84/24/160048424.db2.gz SCKDUQSXNDLWMR-UHFFFAOYSA-N 0 0 301.368 0.078 10 0 DCAERN Cc1nn(C)cc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408151649 160048665 /nfs/dbraw/zinc/04/86/65/160048665.db2.gz RLOGEZMJMRHQRX-ZDUSSCGKSA-N 0 0 322.434 0.909 10 0 DCAERN CC[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000408169593 160051868 /nfs/dbraw/zinc/05/18/68/160051868.db2.gz RJXFMJQAHPRCQC-HIFRSBDPSA-N 0 0 319.405 0.866 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000408179921 160054671 /nfs/dbraw/zinc/05/46/71/160054671.db2.gz KLARXIXMBDRJFD-MRVPVSSYSA-N 0 0 304.397 0.080 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408184838 160054992 /nfs/dbraw/zinc/05/49/92/160054992.db2.gz AATVOSJSYVVZDH-BXKDBHETSA-N 0 0 304.350 0.820 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408189054 160056101 /nfs/dbraw/zinc/05/61/01/160056101.db2.gz VHBYWGNYXRJWFR-RFQIPJPRSA-N 0 0 324.446 0.917 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(=O)N1 ZINC000408190825 160056221 /nfs/dbraw/zinc/05/62/21/160056221.db2.gz AYUJIPAXUJMVPO-AVGNSLFASA-N 0 0 309.410 0.808 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408192498 160057023 /nfs/dbraw/zinc/05/70/23/160057023.db2.gz NOUFHAOVIWTHHU-OUAUKWLOSA-N 0 0 306.428 0.777 10 0 DCAERN CNS(=O)(=O)N1CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000408197341 160057217 /nfs/dbraw/zinc/05/72/17/160057217.db2.gz HYDSDGZMJWDGPK-CYBMUJFWSA-N 0 0 305.444 0.009 10 0 DCAERN CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC000408197782 160057353 /nfs/dbraw/zinc/05/73/53/160057353.db2.gz JVKSYMCUPHFFDX-RBSFLKMASA-N 0 0 300.443 0.408 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000408204363 160059179 /nfs/dbraw/zinc/05/91/79/160059179.db2.gz UUYWTQGYGKJIHZ-AXFHLTTASA-N 0 0 305.382 0.706 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000408207925 160059814 /nfs/dbraw/zinc/05/98/14/160059814.db2.gz YKUNOOPMXAYOFI-XDQVBPFNSA-N 0 0 311.426 0.205 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408206984 160059930 /nfs/dbraw/zinc/05/99/30/160059930.db2.gz VAPAYTUTSHKXIH-OLZOCXBDSA-N 0 0 324.425 0.540 10 0 DCAERN O=S1CCC(NS(=O)(=O)c2cncc(Cl)c2)CC1 ZINC000408206660 160060120 /nfs/dbraw/zinc/06/01/20/160060120.db2.gz CUBKXXXWUOPLHW-UHFFFAOYSA-N 0 0 308.812 0.924 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCS(=O)(=O)C[C@@H]2C)cnn1C ZINC000408213076 160061387 /nfs/dbraw/zinc/06/13/87/160061387.db2.gz CKFSRKWHVHSHIK-VHSXEESVSA-N 0 0 314.411 0.618 10 0 DCAERN O=C(c1cncnc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408218048 160062530 /nfs/dbraw/zinc/06/25/30/160062530.db2.gz GTIHRNZMZINVJG-GFCCVEGCSA-N 0 0 304.350 0.188 10 0 DCAERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000408224304 160063007 /nfs/dbraw/zinc/06/30/07/160063007.db2.gz WEMWJLKKPYMVHK-SMDDNHRTSA-N 0 0 320.455 0.571 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000408222650 160063046 /nfs/dbraw/zinc/06/30/46/160063046.db2.gz DSXTXDYLKZCYLS-LBPRGKRZSA-N 0 0 324.425 0.553 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000408224438 160064174 /nfs/dbraw/zinc/06/41/74/160064174.db2.gz WOSVQFLJAYTRQI-QWHCGFSZSA-N 0 0 324.425 0.459 10 0 DCAERN Cc1cnc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(O)c1 ZINC000408229689 160065025 /nfs/dbraw/zinc/06/50/25/160065025.db2.gz VSIWSXQCRWCOML-ZDUSSCGKSA-N 0 0 319.361 0.559 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCCC[C@@H]2C)CC1=O ZINC000408235876 160066094 /nfs/dbraw/zinc/06/60/94/160066094.db2.gz GMNQNDFAMBCMER-XQHKEYJVSA-N 0 0 315.439 0.705 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408237269 160066232 /nfs/dbraw/zinc/06/62/32/160066232.db2.gz RXZSACNUSJLQJC-XQQFMLRXSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)no1 ZINC000408236979 160066393 /nfs/dbraw/zinc/06/63/93/160066393.db2.gz RCVATEHTJCLSSZ-DTWKUNHWSA-N 0 0 318.399 0.557 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)nn1C ZINC000408241061 160066940 /nfs/dbraw/zinc/06/69/40/160066940.db2.gz HILKZIOAZBNUER-MNOVXSKESA-N 0 0 314.411 0.319 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCF ZINC000408242476 160067531 /nfs/dbraw/zinc/06/75/31/160067531.db2.gz VBEKMQSWBMUSRD-UWVGGRQHSA-N 0 0 316.420 0.126 10 0 DCAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000408242320 160067556 /nfs/dbraw/zinc/06/75/56/160067556.db2.gz SHSJGAMPSNYJII-GHMZBOCLSA-N 0 0 305.382 0.557 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)C(C)(C)S(C)(=O)=O)CC1(C)C ZINC000408246711 160068429 /nfs/dbraw/zinc/06/84/29/160068429.db2.gz KXBNKHQEIZCBGT-UHFFFAOYSA-N 0 0 318.439 0.667 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408251377 160069820 /nfs/dbraw/zinc/06/98/20/160069820.db2.gz ACYSIYPLVWORRW-MRXNPFEDSA-N 0 0 324.425 0.460 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000408258918 160071476 /nfs/dbraw/zinc/07/14/76/160071476.db2.gz DDVZERSQOXASBB-CHWSQXEVSA-N 0 0 324.425 0.600 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000408269203 160072648 /nfs/dbraw/zinc/07/26/48/160072648.db2.gz BCLJDQRTUJAMSD-MRVPVSSYSA-N 0 0 307.272 0.236 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)CCS1(=O)=O ZINC000408268399 160073039 /nfs/dbraw/zinc/07/30/39/160073039.db2.gz MRPWVGSKWHJGEG-MRVPVSSYSA-N 0 0 307.322 0.407 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000408274287 160073413 /nfs/dbraw/zinc/07/34/13/160073413.db2.gz KBVDJTFJRJPDFK-KZVDOYCCSA-N 0 0 307.394 0.276 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000408271132 160073577 /nfs/dbraw/zinc/07/35/77/160073577.db2.gz VBDKWWLVGCMTDO-HNNXBMFYSA-N 0 0 305.334 0.809 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@@]2(CCOC2)C1)[S@](C)=O ZINC000408274976 160074121 /nfs/dbraw/zinc/07/41/21/160074121.db2.gz QZDHRMLEMMPNPT-RZZGRXHGSA-N 0 0 304.412 0.344 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](O)C[C@@H]1C ZINC000408292995 160077345 /nfs/dbraw/zinc/07/73/45/160077345.db2.gz FIXBITIWMCYBBF-JGVFFNPUSA-N 0 0 304.393 0.299 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)C1 ZINC000408292600 160077761 /nfs/dbraw/zinc/07/77/61/160077761.db2.gz DIRIXQRJJOMJMP-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408293913 160078326 /nfs/dbraw/zinc/07/83/26/160078326.db2.gz JBOCDAHPIXIGRO-CBAPKCEASA-N 0 0 302.327 0.068 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3CCSC3)CC2)n1 ZINC000408302600 160079981 /nfs/dbraw/zinc/07/99/81/160079981.db2.gz HGGARXLEKBAKBL-LLVKDONJSA-N 0 0 308.407 0.887 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408304901 160080855 /nfs/dbraw/zinc/08/08/55/160080855.db2.gz FDYMFNLVZZKQCM-KWQFWETISA-N 0 0 309.288 0.445 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](COC)O[C@@H](C)C1 ZINC000408303393 160080889 /nfs/dbraw/zinc/08/08/89/160080889.db2.gz OWYZPYOIHNLWSG-QJPTWQEYSA-N 0 0 316.423 0.560 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408304661 160080953 /nfs/dbraw/zinc/08/09/53/160080953.db2.gz BYWZSQAXFQVGSE-PWSUYJOCSA-N 0 0 308.300 0.913 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)O1 ZINC000408320072 160083841 /nfs/dbraw/zinc/08/38/41/160083841.db2.gz JRCVTPLNWSTZAF-GBIKHYSHSA-N 0 0 306.366 0.782 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318486 160083962 /nfs/dbraw/zinc/08/39/62/160083962.db2.gz ZMHIEUUTYPWWHZ-RKDXNWHRSA-N 0 0 304.334 0.265 10 0 DCAERN CC(C)n1nccc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408323837 160085527 /nfs/dbraw/zinc/08/55/27/160085527.db2.gz DFWXTDPDWFVPDT-UHFFFAOYSA-N 0 0 301.350 0.756 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000408324188 160085698 /nfs/dbraw/zinc/08/56/98/160085698.db2.gz JFOXQDBUSAZJDK-JHJVBQTASA-N 0 0 318.439 0.730 10 0 DCAERN CC(=O)N[C@@H](C)C1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000408329715 160086361 /nfs/dbraw/zinc/08/63/61/160086361.db2.gz FXFBVEUOTYYERI-HZMBPMFUSA-N 0 0 300.424 0.618 10 0 DCAERN CC(C)N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408333309 160087070 /nfs/dbraw/zinc/08/70/70/160087070.db2.gz CFNFSRQBJWBFRO-UHFFFAOYSA-N 0 0 312.457 0.328 10 0 DCAERN Cc1nc(CN(C)[C@H]2CCCN(S(C)(=O)=O)CC2)no1 ZINC000408337331 160087758 /nfs/dbraw/zinc/08/77/58/160087758.db2.gz BWNVZUWHHREAOC-NSHDSACASA-N 0 0 302.400 0.624 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000408347231 160088977 /nfs/dbraw/zinc/08/89/77/160088977.db2.gz XYBJCHFOZABGMY-VIFPVBQESA-N 0 0 317.436 0.432 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408349630 160089838 /nfs/dbraw/zinc/08/98/38/160089838.db2.gz LCTGGFLDYXACDA-BONVTDFDSA-N 0 0 304.350 0.343 10 0 DCAERN COC(=O)C1(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000408353740 160090628 /nfs/dbraw/zinc/09/06/28/160090628.db2.gz DHRHRGKOXYSEAN-AWEZNQCLSA-N 0 0 309.366 0.251 10 0 DCAERN CCCNS(=O)(=O)N1CCC(c2nncn2CC)CC1 ZINC000408357048 160091638 /nfs/dbraw/zinc/09/16/38/160091638.db2.gz IRLWGKLECJIFCQ-UHFFFAOYSA-N 0 0 301.416 0.722 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)O1 ZINC000408362462 160092111 /nfs/dbraw/zinc/09/21/11/160092111.db2.gz OQFFIMGGJXFGOA-WDEREUQCSA-N 0 0 319.427 0.277 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000408371156 160093854 /nfs/dbraw/zinc/09/38/54/160093854.db2.gz VUOFAFKWDDJHEY-AWEZNQCLSA-N 0 0 304.346 0.429 10 0 DCAERN C[C@H]1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@H](C(N)=O)C1 ZINC000408372448 160094681 /nfs/dbraw/zinc/09/46/81/160094681.db2.gz CBJDHVRSNVYZMN-CABZTGNLSA-N 0 0 317.345 0.744 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](CO)C1)CC2 ZINC000408380590 160095878 /nfs/dbraw/zinc/09/58/78/160095878.db2.gz AUPFQYFVCPFZFU-RYUDHWBXSA-N 0 0 323.397 0.119 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(CC)o2)C1 ZINC000408385572 160096713 /nfs/dbraw/zinc/09/67/13/160096713.db2.gz LDRDFECMAPZAJO-JTQLQIEISA-N 0 0 318.399 0.592 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408387971 160097558 /nfs/dbraw/zinc/09/75/58/160097558.db2.gz TYPHEGSEWAHRCL-UHFFFAOYSA-N 0 0 320.802 0.396 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CCC1CCOCC1 ZINC000408385906 160097633 /nfs/dbraw/zinc/09/76/33/160097633.db2.gz MWKUTKIVJKHTBF-DGCLKSJQSA-N 0 0 318.439 0.719 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)O1 ZINC000408393788 160099091 /nfs/dbraw/zinc/09/90/91/160099091.db2.gz GYHLBZOBXIPPTA-AGIUHOORSA-N 0 0 318.439 0.873 10 0 DCAERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)N1CCS(=O)(=O)CC1 ZINC000408395090 160099572 /nfs/dbraw/zinc/09/95/72/160099572.db2.gz LUYOULNRCVKAPQ-STQMWFEESA-N 0 0 318.439 0.758 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c1C ZINC000408395913 160099844 /nfs/dbraw/zinc/09/98/44/160099844.db2.gz OASRHIVSQUOEIN-CABZTGNLSA-N 0 0 317.411 0.495 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)nn1C ZINC000408399523 160100305 /nfs/dbraw/zinc/10/03/05/160100305.db2.gz IHKHONZCIRZSEK-NSHDSACASA-N 0 0 314.411 0.271 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000408408473 160102595 /nfs/dbraw/zinc/10/25/95/160102595.db2.gz VXEMRUNHFDPQAM-RYUDHWBXSA-N 0 0 320.397 0.589 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000408407910 160102884 /nfs/dbraw/zinc/10/28/84/160102884.db2.gz XDSCVRNGGRKFFV-BNOWGMLFSA-N 0 0 309.410 0.808 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3C[C@H](O)C[C@@H]3CO)c(O)c2O1 ZINC000408410307 160102913 /nfs/dbraw/zinc/10/29/13/160102913.db2.gz NPMCVOHWKOMHRW-GHMZBOCLSA-N 0 0 307.346 0.673 10 0 DCAERN C[C@@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)[C@H]1CO ZINC000408424813 160105396 /nfs/dbraw/zinc/10/53/96/160105396.db2.gz DGASLIDGAHFDJY-MFKMUULPSA-N 0 0 301.346 0.776 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[S@@](=O)[C@@H](C)C3)C2=O)n(C)n1 ZINC000408427121 160105712 /nfs/dbraw/zinc/10/57/12/160105712.db2.gz ZPFCNQYWMDNHJS-QSRBQVKKSA-N 0 0 310.423 0.287 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000408429228 160106052 /nfs/dbraw/zinc/10/60/52/160106052.db2.gz XIPHCIGZYCZWKU-UHFFFAOYSA-N 0 0 311.382 0.733 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c1 ZINC000408431866 160106943 /nfs/dbraw/zinc/10/69/43/160106943.db2.gz KAUBTSVIERESTO-LBPRGKRZSA-N 0 0 301.368 0.083 10 0 DCAERN CCS(=O)(=O)C1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000408440006 160108805 /nfs/dbraw/zinc/10/88/05/160108805.db2.gz XKGARBVCUAEPAN-LBPRGKRZSA-N 0 0 317.455 0.689 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](CO)C1 ZINC000408446230 160109058 /nfs/dbraw/zinc/10/90/58/160109058.db2.gz ILBKGFOOPWZSLM-MNOVXSKESA-N 0 0 309.370 0.078 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C[C@@H]1O ZINC000408446377 160110251 /nfs/dbraw/zinc/11/02/51/160110251.db2.gz KLBGHRRLBMNCSH-RDBSUJKOSA-N 0 0 321.425 0.801 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000408447902 160110254 /nfs/dbraw/zinc/11/02/54/160110254.db2.gz KHCZUSIMRPEDEZ-UHFFFAOYSA-N 0 0 300.384 0.144 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000408454915 160111707 /nfs/dbraw/zinc/11/17/07/160111707.db2.gz WOPMUNCYFZRVLZ-SDDRHHMPSA-N 0 0 303.428 0.515 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1CCC(C)CC1 ZINC000408467233 160114268 /nfs/dbraw/zinc/11/42/68/160114268.db2.gz KMXNTIJCUWPQIQ-UHFFFAOYSA-N 0 0 301.416 0.925 10 0 DCAERN Cn1c2cccc(F)c2nc1N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408473140 160115210 /nfs/dbraw/zinc/11/52/10/160115210.db2.gz ZBKMZAYSPUUUCH-SECBINFHSA-N 0 0 312.370 0.840 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CCO1 ZINC000408472756 160115683 /nfs/dbraw/zinc/11/56/83/160115683.db2.gz WUOKFINSXCRJHK-IDTSFGKNSA-N 0 0 307.346 0.823 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000176486225 286886144 /nfs/dbraw/zinc/88/61/44/286886144.db2.gz FRLQOLXEAKHBNN-JTQLQIEISA-N 0 0 314.411 0.301 10 0 DCAERN Cn1nccc1CNC(=O)NCCNC(=O)c1ccccc1F ZINC000050100255 286892920 /nfs/dbraw/zinc/89/29/20/286892920.db2.gz XNKFNSUVZPVOBA-UHFFFAOYSA-N 0 0 319.340 0.788 10 0 DCAERN CCOCCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000053581659 286896222 /nfs/dbraw/zinc/89/62/22/286896222.db2.gz QOAOMINXBHONQH-UHFFFAOYSA-N 0 0 307.354 0.063 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000061625760 286902006 /nfs/dbraw/zinc/90/20/06/286902006.db2.gz NMMNMDVFXOOLSY-GFCCVEGCSA-N 0 0 313.423 0.800 10 0 DCAERN Cn1c2ccccc2n(CCC(=O)NC(C)(C)C(N)=O)c1=O ZINC000057050597 286899449 /nfs/dbraw/zinc/89/94/49/286899449.db2.gz HGTLWOUTRDXEED-UHFFFAOYSA-N 0 0 304.350 0.110 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N(C)CC(=O)NC2CC2)s1 ZINC000067030818 286905775 /nfs/dbraw/zinc/90/57/75/286905775.db2.gz IVEHDXNGAJRKAN-UHFFFAOYSA-N 0 0 309.391 0.735 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000068157590 286907806 /nfs/dbraw/zinc/90/78/06/286907806.db2.gz JMBDUYJYUUVRAW-MRVPVSSYSA-N 0 0 307.354 0.236 10 0 DCAERN COC[C@H](C)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303123 286910106 /nfs/dbraw/zinc/91/01/06/286910106.db2.gz VJLLFHTZFIANBK-LLVKDONJSA-N 0 0 315.391 0.963 10 0 DCAERN CN1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1=O ZINC000119234238 286947142 /nfs/dbraw/zinc/94/71/42/286947142.db2.gz HJDQZYUTNDYCDC-UHFFFAOYSA-N 0 0 318.402 0.747 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000116950081 286945413 /nfs/dbraw/zinc/94/54/13/286945413.db2.gz BTURYMSHZNPFMO-MCIONIFRSA-N 0 0 323.418 0.876 10 0 DCAERN CN(C)c1ncc(NC(=O)CCNC(=O)c2ccco2)cn1 ZINC000126124650 286969675 /nfs/dbraw/zinc/96/96/75/286969675.db2.gz GOJBVYORLJORBT-UHFFFAOYSA-N 0 0 303.322 0.894 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1(C)CCC1 ZINC000127254275 286976907 /nfs/dbraw/zinc/97/69/07/286976907.db2.gz GNCWEPUSGXRNBY-JTQLQIEISA-N 0 0 314.411 0.393 10 0 DCAERN CCC1(CNC(=O)C(=O)Nc2cc(CCOC)nn2C)CC1 ZINC000128070141 286981223 /nfs/dbraw/zinc/98/12/23/286981223.db2.gz XBHUKPRBRMYMGP-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000128916773 286985518 /nfs/dbraw/zinc/98/55/18/286985518.db2.gz XFIVDGFKUVBNLZ-XQHKEYJVSA-N 0 0 306.428 0.433 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1C ZINC000130330735 286993295 /nfs/dbraw/zinc/99/32/95/286993295.db2.gz PNDSQVBIYWMIPV-CQSZACIVSA-N 0 0 317.389 0.852 10 0 DCAERN Cc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)n1 ZINC000130477907 286994165 /nfs/dbraw/zinc/99/41/65/286994165.db2.gz VFBYEKDOTDPGTD-UHFFFAOYSA-N 0 0 311.407 0.678 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000131704419 287001699 /nfs/dbraw/zinc/00/16/99/287001699.db2.gz QFIGQFLGWZVOTH-ZIAGYGMSSA-N 0 0 302.415 0.343 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000131704245 287001751 /nfs/dbraw/zinc/00/17/51/287001751.db2.gz QFIGQFLGWZVOTH-KGLIPLIRSA-N 0 0 302.415 0.343 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCCN1CCOCC1 ZINC000132941303 287007890 /nfs/dbraw/zinc/00/78/90/287007890.db2.gz CSZCKEMVSOXONR-UHFFFAOYSA-N 0 0 323.397 0.070 10 0 DCAERN CC(C)[C@H](NC(=O)NCCCN1CCCCCC1=O)C(N)=O ZINC000134473238 287016475 /nfs/dbraw/zinc/01/64/75/287016475.db2.gz MZPBEBKPUMMZLV-ZDUSSCGKSA-N 0 0 312.414 0.588 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(CC(F)F)CC2)C1 ZINC000135074728 287020236 /nfs/dbraw/zinc/02/02/36/287020236.db2.gz RJOWNJQKANNSJO-LLVKDONJSA-N 0 0 318.368 0.590 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000135509774 287022933 /nfs/dbraw/zinc/02/29/33/287022933.db2.gz USGQPEMPSLIDLT-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)N2CCCCC2)c(=O)[nH]c1C ZINC000136564035 287026847 /nfs/dbraw/zinc/02/68/47/287026847.db2.gz LINZBWQPVGDJMX-UHFFFAOYSA-N 0 0 306.366 0.519 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccccc1OC(F)(F)F ZINC000151158411 287032151 /nfs/dbraw/zinc/03/21/51/287032151.db2.gz SQQIDJWFNZCHAC-UHFFFAOYSA-N 0 0 305.256 0.912 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)C1CC1 ZINC000151478542 287034051 /nfs/dbraw/zinc/03/40/51/287034051.db2.gz CAJQRMSMJWKWMO-RKDXNWHRSA-N 0 0 300.384 0.002 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN(C(C)C)CC1 ZINC000151558140 287034375 /nfs/dbraw/zinc/03/43/75/287034375.db2.gz DVOFRNVNBGGBOO-UHFFFAOYSA-N 0 0 307.398 0.784 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccon2)C[C@@H]1C ZINC000185822375 287057353 /nfs/dbraw/zinc/05/73/53/287057353.db2.gz SQJHANYAWCXHPV-NSHDSACASA-N 0 0 310.354 0.182 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(N)=O)C2)cc1C ZINC000192579662 287059138 /nfs/dbraw/zinc/05/91/38/287059138.db2.gz IIZKRHVNTWEVJP-AWEZNQCLSA-N 0 0 317.389 0.757 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194769206 287062380 /nfs/dbraw/zinc/06/23/80/287062380.db2.gz SPPMKUOTMKEVIP-LBPRGKRZSA-N 0 0 321.352 0.427 10 0 DCAERN COc1cccc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)c1 ZINC000194769767 287062430 /nfs/dbraw/zinc/06/24/30/287062430.db2.gz IQAREYFSOHARNW-GFCCVEGCSA-N 0 0 303.362 0.480 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000228154726 287063606 /nfs/dbraw/zinc/06/36/06/287063606.db2.gz UTYHTAOQOZEDDA-VXGBXAGGSA-N 0 0 320.411 0.370 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408356528 292511671 /nfs/dbraw/zinc/51/16/71/292511671.db2.gz ZDTCHKYFJYGSSU-QWHCGFSZSA-N 0 0 306.428 0.700 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)C(C)(C)C)[C@H](C)CO1 ZINC000246228275 287079654 /nfs/dbraw/zinc/07/96/54/287079654.db2.gz WPMZEXSFFXXCHW-IJLUTSLNSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)[C@@H](C)CO1 ZINC000246232008 287079680 /nfs/dbraw/zinc/07/96/80/287079680.db2.gz RBWXLSTZMTVRBA-QWHCGFSZSA-N 0 0 313.423 0.910 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)[C@@H](C)CO1 ZINC000246323761 287080944 /nfs/dbraw/zinc/08/09/44/287080944.db2.gz YZQNHAWMBMSGRV-RYUDHWBXSA-N 0 0 306.428 0.625 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)C[C@@H](C)O1 ZINC000246318932 287081108 /nfs/dbraw/zinc/08/11/08/287081108.db2.gz YGTLNVJEKNKGJW-YRGRVCCFSA-N 0 0 320.455 0.871 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000246528529 287085092 /nfs/dbraw/zinc/08/50/92/287085092.db2.gz UQWGODWENAFSCX-UPJWGTAASA-N 0 0 316.423 0.991 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201238 287092019 /nfs/dbraw/zinc/09/20/19/287092019.db2.gz TUWSSFBFYVBXSG-WCQYABFASA-N 0 0 317.455 0.447 10 0 DCAERN COCCN1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@@H]1C ZINC000248506717 287098078 /nfs/dbraw/zinc/09/80/78/287098078.db2.gz WYDPHBQCDLECJI-XAAFQQQXSA-N 0 0 305.444 0.116 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000248933246 287103607 /nfs/dbraw/zinc/10/36/07/287103607.db2.gz MWAGMAOVAOHCQU-SDDRHHMPSA-N 0 0 304.412 0.471 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000248983205 287104523 /nfs/dbraw/zinc/10/45/23/287104523.db2.gz VWBZYUFPMROLND-UPJWGTAASA-N 0 0 318.439 0.874 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248695600 287100236 /nfs/dbraw/zinc/10/02/36/287100236.db2.gz JPASBIDBDNCZTJ-AVGNSLFASA-N 0 0 305.444 0.102 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000249192140 287108045 /nfs/dbraw/zinc/10/80/45/287108045.db2.gz ALYYLQFGHSJJFI-WCQYABFASA-N 0 0 304.412 0.991 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000249412969 287110243 /nfs/dbraw/zinc/11/02/43/287110243.db2.gz YIFMIQHAVVDLRG-CHWSQXEVSA-N 0 0 317.455 0.810 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000249526466 287113151 /nfs/dbraw/zinc/11/31/51/287113151.db2.gz JAOQEKZGCZJLIW-WXHSDQCUSA-N 0 0 305.382 0.791 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@H](C)OC)CC[S@@]1=O ZINC000249586824 287114963 /nfs/dbraw/zinc/11/49/63/287114963.db2.gz OMPRHYITIHFOSH-VOJFVSQTSA-N 0 0 311.469 0.974 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)[C@H](C)CO1 ZINC000249449639 287110967 /nfs/dbraw/zinc/11/09/67/287110967.db2.gz MAKPRLXMTSCKPG-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000249735547 287117576 /nfs/dbraw/zinc/11/75/76/287117576.db2.gz FBZQOWIPSDOKIH-KCJUWKMLSA-N 0 0 314.411 0.311 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCC[C@H]2CO)nc2ncnn21 ZINC000252009455 287120411 /nfs/dbraw/zinc/12/04/11/287120411.db2.gz XLPQUDITDXOYSY-NWDGAFQWSA-N 0 0 318.381 0.047 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 ZINC000253204288 287121022 /nfs/dbraw/zinc/12/10/22/287121022.db2.gz NBYKCQTZQSOUMS-SOUVJXGZSA-N 0 0 313.442 0.636 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)NCC[C@H]1C)C(C)C ZINC000249606540 287116102 /nfs/dbraw/zinc/11/61/02/287116102.db2.gz RIEGXJRQDGUXNS-XBFCOCLRSA-N 0 0 311.426 0.814 10 0 DCAERN COCCN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1=O ZINC000543363179 412396161 /nfs/dbraw/zinc/39/61/61/412396161.db2.gz HCGFQARBVRTASK-UHFFFAOYSA-N 0 0 324.385 0.356 10 0 DCAERN Cc1cccc(NC(=O)CN(C)CC(=O)N2CCOCC2)c1 ZINC000007607483 415139610 /nfs/dbraw/zinc/13/96/10/415139610.db2.gz AVFUMLYDGRDHFD-UHFFFAOYSA-N 0 0 305.378 0.724 10 0 DCAERN C[C@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268153500 415169267 /nfs/dbraw/zinc/16/92/67/415169267.db2.gz PGENRJFBZNWYAB-LLVKDONJSA-N 0 0 314.411 0.490 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)sc1C ZINC000272033681 415272393 /nfs/dbraw/zinc/27/23/93/415272393.db2.gz XGYIUQCRNWYZNW-VIFPVBQESA-N 0 0 304.393 0.240 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000274147052 415326249 /nfs/dbraw/zinc/32/62/49/415326249.db2.gz KKXCCKPTOLARPO-MNOVXSKESA-N 0 0 311.407 0.865 10 0 DCAERN COC(=O)CCN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000063996413 415349217 /nfs/dbraw/zinc/34/92/17/415349217.db2.gz YEDQRRPBGGNOPU-CYBMUJFWSA-N 0 0 311.426 0.614 10 0 DCAERN C[C@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)cc1F ZINC000074178820 415430476 /nfs/dbraw/zinc/43/04/76/415430476.db2.gz BLUMKTKYAQNTSI-ZCFIWIBFSA-N 0 0 324.287 0.457 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000066919046 415368261 /nfs/dbraw/zinc/36/82/61/415368261.db2.gz HOWILNAFMJVSTG-RYUDHWBXSA-N 0 0 304.412 0.991 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cncn1 ZINC000067331403 415374607 /nfs/dbraw/zinc/37/46/07/415374607.db2.gz UGLXRSGYQLGAAG-AWEZNQCLSA-N 0 0 315.377 0.484 10 0 DCAERN CCCCN1C(=O)N=NC1S(=O)(=O)Cc1nccn1CC ZINC000081532798 415485014 /nfs/dbraw/zinc/48/50/14/415485014.db2.gz ZFQVWNLQTYQKAU-UHFFFAOYSA-N 0 0 313.383 0.974 10 0 DCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@H]1CCCC[C@H]1O ZINC000332859475 415495144 /nfs/dbraw/zinc/49/51/44/415495144.db2.gz FXGCGMNQXBCWQT-SDDRHHMPSA-N 0 0 304.412 0.556 10 0 DCAERN c1cc(NCCCO[C@H]2CCOC2)nc(N2CCOCC2)n1 ZINC000353292359 415499013 /nfs/dbraw/zinc/49/90/13/415499013.db2.gz LDXFMZAKIHZXGK-ZDUSSCGKSA-N 0 0 308.382 0.921 10 0 DCAERN CC1(C)CCCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000077353972 415462954 /nfs/dbraw/zinc/46/29/54/415462954.db2.gz LKWIOOTWCRFPHA-UHFFFAOYSA-N 0 0 309.391 0.885 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCn4ncnc43)C[C@H]21 ZINC000332760270 415465405 /nfs/dbraw/zinc/46/54/05/415465405.db2.gz QEFJKWHWPQUVEG-YNEHKIRRSA-N 0 0 320.397 0.228 10 0 DCAERN CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCc2cncnc2C1 ZINC000332776370 415471712 /nfs/dbraw/zinc/47/17/12/415471712.db2.gz LGHKJBGXZFBVKC-NWDGAFQWSA-N 0 0 303.366 0.459 10 0 DCAERN Cc1ccc(C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)s1 ZINC000276549333 415477026 /nfs/dbraw/zinc/47/70/26/415477026.db2.gz RYWRQSFEWUYNGP-LLVKDONJSA-N 0 0 311.407 0.315 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000332932206 415507418 /nfs/dbraw/zinc/50/74/18/415507418.db2.gz YXMVOTVJZOZNTC-OLZOCXBDSA-N 0 0 319.409 0.374 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000087022185 415510381 /nfs/dbraw/zinc/51/03/81/415510381.db2.gz TYTUCBYQKGWBBC-UHFFFAOYSA-N 0 0 321.358 0.780 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000333001206 415526657 /nfs/dbraw/zinc/52/66/57/415526657.db2.gz UIFCDRHVUHBTPV-BARDWOONSA-N 0 0 311.426 0.916 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000091414211 415536939 /nfs/dbraw/zinc/53/69/39/415536939.db2.gz SYIPBVPYWQAVJP-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108663 415559625 /nfs/dbraw/zinc/55/96/25/415559625.db2.gz DOZOQGVPBQLHON-QPSCCSFWSA-N 0 0 316.467 0.893 10 0 DCAERN Cn1ccc(N2CCC[C@@H](N3CCN(C(=O)C4CC4)C3)C2=O)n1 ZINC000333131790 415565252 /nfs/dbraw/zinc/56/52/52/415565252.db2.gz BBFRWQGBIIRZII-CYBMUJFWSA-N 0 0 317.393 0.427 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)CC1=O ZINC000333147225 415569356 /nfs/dbraw/zinc/56/93/56/415569356.db2.gz FHSYNNKVQNBOAH-LLVKDONJSA-N 0 0 304.350 0.476 10 0 DCAERN C[C@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333327424 415612500 /nfs/dbraw/zinc/61/25/00/415612500.db2.gz CAYHWFULUZGSOR-ASEORRQLSA-N 0 0 308.382 0.805 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)C[C@H]21 ZINC000285532462 415615584 /nfs/dbraw/zinc/61/55/84/415615584.db2.gz NSYGEMAVVPSXES-BFHYXJOUSA-N 0 0 319.409 0.902 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H]2CC[C@@H](CO)C2)cn1 ZINC000333372168 415629255 /nfs/dbraw/zinc/62/92/55/415629255.db2.gz JEVXOFPQUAKEES-CABNGKKXSA-N 0 0 308.382 0.710 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286552997 415630379 /nfs/dbraw/zinc/63/03/79/415630379.db2.gz XJSYGFHYTDBLOO-KBPBESRZSA-N 0 0 313.361 0.570 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(Cc2nccn2C)CC1)C(C)C ZINC000106033108 415635401 /nfs/dbraw/zinc/63/54/01/415635401.db2.gz NUKJJLKGUNDVTG-HNNXBMFYSA-N 0 0 321.425 0.225 10 0 DCAERN Cc1nnc(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C ZINC000105928169 415635768 /nfs/dbraw/zinc/63/57/68/415635768.db2.gz CAOIBXCPBYORLZ-CYBMUJFWSA-N 0 0 320.441 0.252 10 0 DCAERN CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCOC1 ZINC000106841613 415649024 /nfs/dbraw/zinc/64/90/24/415649024.db2.gz WTBBYVGJZGJDDL-CYBMUJFWSA-N 0 0 324.402 0.988 10 0 DCAERN Cc1cc(-c2nc(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)no2)nn1C ZINC000333251965 415595195 /nfs/dbraw/zinc/59/51/95/415595195.db2.gz YPRGWDVEFPQJAJ-PHIMTYICSA-N 0 0 319.365 0.957 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000333592429 415691148 /nfs/dbraw/zinc/69/11/48/415691148.db2.gz LIERPOVANOUXBI-XQQFMLRXSA-N 0 0 323.397 0.949 10 0 DCAERN O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000333534307 415676314 /nfs/dbraw/zinc/67/63/14/415676314.db2.gz YNJKVHPNJAULMC-FXPVBKGRSA-N 0 0 308.300 0.817 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN2CCN(C(=O)C3CC3)C2)C1 ZINC000333540589 415678600 /nfs/dbraw/zinc/67/86/00/415678600.db2.gz NVESATNHAAOXOU-GFCCVEGCSA-N 0 0 315.439 0.170 10 0 DCAERN C[C@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000333555342 415679667 /nfs/dbraw/zinc/67/96/67/415679667.db2.gz VHTPBLKRJKQSLI-DCDXPUDHSA-N 0 0 317.389 0.830 10 0 DCAERN C[C@H]1C[C@H](O)CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000333555346 415681623 /nfs/dbraw/zinc/68/16/23/415681623.db2.gz VHTPBLKRJKQSLI-ZIEJDFEHSA-N 0 0 317.389 0.830 10 0 DCAERN Cc1c(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)nnn1-c1cnn(C)c1 ZINC000333577747 415688827 /nfs/dbraw/zinc/68/88/27/415688827.db2.gz QUGOWLZGZFWWNT-PHIMTYICSA-N 0 0 317.397 0.474 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC000112667558 415716340 /nfs/dbraw/zinc/71/63/40/415716340.db2.gz DMIFNJVVNPOENV-LLVKDONJSA-N 0 0 304.394 0.907 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCn2cccn2)C1 ZINC000114970597 415724978 /nfs/dbraw/zinc/72/49/78/415724978.db2.gz WHDIGCBSLHFRRI-CYBMUJFWSA-N 0 0 307.398 0.973 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000115329157 415726813 /nfs/dbraw/zinc/72/68/13/415726813.db2.gz RDWXJHBJRSGFGQ-VIFPVBQESA-N 0 0 308.363 0.351 10 0 DCAERN C[C@H]1CN(Cc2cn(CC3CC3)nn2)CCN1S(C)(=O)=O ZINC000333633820 415701220 /nfs/dbraw/zinc/70/12/20/415701220.db2.gz ATIUTWQZUFUCKN-NSHDSACASA-N 0 0 313.427 0.154 10 0 DCAERN Cn1ccc(=NC(=O)CNc2nc(C3CC3)nc3c2CCC3)[nH]1 ZINC000333667691 415712630 /nfs/dbraw/zinc/71/26/30/415712630.db2.gz IFDHGBUVKASJMF-UHFFFAOYSA-N 0 0 312.377 0.471 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1C[C@@H](C)O ZINC000119134241 415740260 /nfs/dbraw/zinc/74/02/60/415740260.db2.gz UXVPXXGLTCJILZ-VXGBXAGGSA-N 0 0 324.381 0.225 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000120514557 415771267 /nfs/dbraw/zinc/77/12/67/415771267.db2.gz QXLZRTSHPRQIQS-UWVGGRQHSA-N 0 0 312.391 0.268 10 0 DCAERN CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)COC)cc1 ZINC000120580611 415773447 /nfs/dbraw/zinc/77/34/47/415773447.db2.gz MRDKUIPLKXQAQI-LLVKDONJSA-N 0 0 314.407 0.884 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000120653921 415777650 /nfs/dbraw/zinc/77/76/50/415777650.db2.gz DJSHONSCKJCPRY-GFCCVEGCSA-N 0 0 317.267 0.854 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000123286369 415840172 /nfs/dbraw/zinc/84/01/72/415840172.db2.gz JETLKGMIOQUBSC-CQSZACIVSA-N 0 0 319.471 0.496 10 0 DCAERN Cn1cc(Br)c(C(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000292608445 415849943 /nfs/dbraw/zinc/84/99/43/415849943.db2.gz GQBKIYFZCJPDON-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCC[C@@H]3CO)ccc21 ZINC000121236818 415795801 /nfs/dbraw/zinc/79/58/01/415795801.db2.gz RZFKZOJFUVPQPD-SNVBAGLBSA-N 0 0 319.317 0.053 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NCc1cscn1 ZINC000126347982 415875424 /nfs/dbraw/zinc/87/54/24/415875424.db2.gz KRBZSEBCRDYYPI-UHFFFAOYSA-N 0 0 305.363 0.767 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000126502586 415876807 /nfs/dbraw/zinc/87/68/07/415876807.db2.gz IDRYPZZYZWFABH-RYUDHWBXSA-N 0 0 318.443 0.357 10 0 DCAERN Cc1nccc(N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000126775138 415878913 /nfs/dbraw/zinc/87/89/13/415878913.db2.gz UTXKAOVMJLZTDS-CYBMUJFWSA-N 0 0 319.409 0.154 10 0 DCAERN Cc1nc(C(=O)NCC(=O)Nc2cccc(F)c2)c(=O)[nH]c1C ZINC000127036706 415882889 /nfs/dbraw/zinc/88/28/89/415882889.db2.gz SQICCQQAYBBBLQ-UHFFFAOYSA-N 0 0 318.308 0.894 10 0 DCAERN CC[C@@H](NC(=O)c1nn(C)cc1Br)C(=O)OC ZINC000295122228 415883291 /nfs/dbraw/zinc/88/32/91/415883291.db2.gz ZMNODMUYEUJFSW-SSDOTTSWSA-N 0 0 304.144 0.864 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCOC[C@H](O)C1 ZINC000295431135 415891200 /nfs/dbraw/zinc/89/12/00/415891200.db2.gz DAPQYVJDEIEFTM-WCQYABFASA-N 0 0 306.362 0.909 10 0 DCAERN CCn1cc(NC(=O)C(=O)NCc2cccc(OC)n2)cn1 ZINC000129157751 415906084 /nfs/dbraw/zinc/90/60/84/415906084.db2.gz KMAROMIXOKHSAE-UHFFFAOYSA-N 0 0 303.322 0.562 10 0 DCAERN CN1C[C@H](NC(=O)CS(=O)(=O)C2CCCC2)CCC1=O ZINC000133506035 415944998 /nfs/dbraw/zinc/94/49/98/415944998.db2.gz XYLQMYURMFBQGN-SNVBAGLBSA-N 0 0 302.396 0.081 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000133681470 415947755 /nfs/dbraw/zinc/94/77/55/415947755.db2.gz OQVKOLKRDVABRH-UHFFFAOYSA-N 0 0 312.391 0.892 10 0 DCAERN Cc1nc2ccc(NC(=O)C(=O)N3CCNC(=O)CC3)cc2o1 ZINC000133784070 415950626 /nfs/dbraw/zinc/95/06/26/415950626.db2.gz NDUQCQVIIAGMER-UHFFFAOYSA-N 0 0 316.317 0.423 10 0 DCAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CCNC(=O)CC1 ZINC000133805515 415952909 /nfs/dbraw/zinc/95/29/09/415952909.db2.gz CIBROMIFGTXCLH-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CC1(C)OCCO1 ZINC000150890434 415962015 /nfs/dbraw/zinc/96/20/15/415962015.db2.gz QJFZZAOSFJAUBC-NEPJUHHUSA-N 0 0 323.397 0.681 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C2 ZINC000152175500 415966253 /nfs/dbraw/zinc/96/62/53/415966253.db2.gz KGMXFWVBCDZUSY-DGCLKSJQSA-N 0 0 302.330 0.528 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000344650107 415966606 /nfs/dbraw/zinc/96/66/06/415966606.db2.gz OHLPXUSHABNHRN-SOUVJXGZSA-N 0 0 324.421 0.897 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCc3ncnn3C2)[nH]n1 ZINC000152750921 415969141 /nfs/dbraw/zinc/96/91/41/415969141.db2.gz MRFIMXYVRXPVBN-GXSJLCMTSA-N 0 0 303.370 0.555 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000153227633 415977508 /nfs/dbraw/zinc/97/75/08/415977508.db2.gz DSXQPXLYEGZFPT-KGLIPLIRSA-N 0 0 301.431 0.659 10 0 DCAERN C[C@H](C(=O)N1CCO[C@H](c2cnn(C)c2)C1)N1CCSCC1 ZINC000153446842 415981248 /nfs/dbraw/zinc/98/12/48/415981248.db2.gz YUMTVCKDKBZCNI-OCCSQVGLSA-N 0 0 324.450 0.757 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)ccc1-n1cncn1 ZINC000153524865 415981915 /nfs/dbraw/zinc/98/19/15/415981915.db2.gz ASJJFZQZTYBBKL-NSHDSACASA-N 0 0 313.317 0.111 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cnn(-c2ccccc2F)c1 ZINC000153705195 415985348 /nfs/dbraw/zinc/98/53/48/415985348.db2.gz SCQSWIMWTVPJRU-JTQLQIEISA-N 0 0 317.280 0.548 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000155112484 415993272 /nfs/dbraw/zinc/99/32/72/415993272.db2.gz ZVFCVVFIFVTJMZ-CHWSQXEVSA-N 0 0 316.467 1.000 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)CC2 ZINC000155014927 415993562 /nfs/dbraw/zinc/99/35/62/415993562.db2.gz WIOSJAQMHMHUSM-SNVBAGLBSA-N 0 0 316.369 0.579 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000155310135 415996098 /nfs/dbraw/zinc/99/60/98/415996098.db2.gz GJTLBUDQYMCTLD-ZWNOBZJWSA-N 0 0 319.361 0.213 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1cccnc1 ZINC000155836321 415998068 /nfs/dbraw/zinc/99/80/68/415998068.db2.gz WWRNQYHVMIIMME-JSGCOSHPSA-N 0 0 321.402 0.192 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000172332901 416045508 /nfs/dbraw/zinc/04/55/08/416045508.db2.gz QFXFKSDQUSUHHC-WDEREUQCSA-N 0 0 309.370 0.695 10 0 DCAERN COc1cccc([C@@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000173085661 416052219 /nfs/dbraw/zinc/05/22/19/416052219.db2.gz JNQKYAXSALZGMW-SNVBAGLBSA-N 0 0 317.345 0.835 10 0 DCAERN C[C@@H](Cc1ccccc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084421 416052264 /nfs/dbraw/zinc/05/22/64/416052264.db2.gz KGFLTAPVWYJJDM-NSHDSACASA-N 0 0 301.346 0.901 10 0 DCAERN CCc1cnc(CCNC(=O)CN(C)S(C)(=O)=O)s1 ZINC000173036146 416053097 /nfs/dbraw/zinc/05/30/97/416053097.db2.gz NEKLNBMPJVNZLL-UHFFFAOYSA-N 0 0 305.425 0.256 10 0 DCAERN CCSCC[C@H](C)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000173287433 416056191 /nfs/dbraw/zinc/05/61/91/416056191.db2.gz KJZZVTRFBYRKBR-JTQLQIEISA-N 0 0 323.422 0.778 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000173339079 416057288 /nfs/dbraw/zinc/05/72/88/416057288.db2.gz DGOHRQKGSRCMEZ-CQSZACIVSA-N 0 0 315.377 0.636 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CN(C)CCO1)N1CCOCC1 ZINC000174508802 416080010 /nfs/dbraw/zinc/08/00/10/416080010.db2.gz RGJXWULMOAAXRI-HUUCEWRRSA-N 0 0 313.442 0.180 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173477489 416058860 /nfs/dbraw/zinc/05/88/60/416058860.db2.gz VUXAHMRLHMBQOU-JTQLQIEISA-N 0 0 303.428 0.924 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4nccn4c3)CCO2)[nH]1 ZINC000173549912 416059788 /nfs/dbraw/zinc/05/97/88/416059788.db2.gz UCNZVDFASMRRLA-GFCCVEGCSA-N 0 0 312.333 0.975 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)c1cccn2c(=O)[nH]nc12 ZINC000357301699 416060063 /nfs/dbraw/zinc/06/00/63/416060063.db2.gz GCUFBRHBSWHTIX-GFCCVEGCSA-N 0 0 312.329 0.941 10 0 DCAERN Cc1nc(CNC(=O)N2CCN(CC(F)(F)F)CC2)no1 ZINC000173548800 416060702 /nfs/dbraw/zinc/06/07/02/416060702.db2.gz OLJLTVWJOQPUDQ-UHFFFAOYSA-N 0 0 307.276 0.768 10 0 DCAERN CCNC(=O)CN(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000299453757 416061660 /nfs/dbraw/zinc/06/16/60/416061660.db2.gz WXRYEVJHQDHJQG-KBPBESRZSA-N 0 0 311.405 0.400 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)[nH]1 ZINC000173733472 416063131 /nfs/dbraw/zinc/06/31/31/416063131.db2.gz MTFAZDOQGWIHLE-GFCCVEGCSA-N 0 0 308.363 0.875 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(=O)NC1CC1 ZINC000173737563 416063477 /nfs/dbraw/zinc/06/34/77/416063477.db2.gz YZBQJVFRMVDXCX-VIFPVBQESA-N 0 0 307.398 0.546 10 0 DCAERN NC(=O)COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000151042460 196621265 /nfs/dbraw/zinc/62/12/65/196621265.db2.gz BXSQDJQDOXWUGV-GXTWGEPZSA-N 0 0 306.362 0.832 10 0 DCAERN COC(=O)C1CCC2(CC1)NC(=O)N([C@H]1CCCOC1)C2=O ZINC000345267134 416069552 /nfs/dbraw/zinc/06/95/52/416069552.db2.gz PCAHXTOUCYQGHZ-VTWZXRTESA-N 0 0 310.350 0.819 10 0 DCAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NC(C1CC1)C1CC1 ZINC000173985863 416069833 /nfs/dbraw/zinc/06/98/33/416069833.db2.gz SRHZUSPBEFTZGM-OAHLLOKOSA-N 0 0 307.438 0.698 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCN(Cc3ccon3)CC2)C[C@H](C)O1 ZINC000173936779 416069973 /nfs/dbraw/zinc/06/99/73/416069973.db2.gz PDRGBQISMMPSOJ-OKILXGFUSA-N 0 0 322.409 0.428 10 0 DCAERN Cn1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)cn1 ZINC000173920126 416070047 /nfs/dbraw/zinc/07/00/47/416070047.db2.gz PKFPEMSCERBLMO-UHFFFAOYSA-N 0 0 310.361 0.755 10 0 DCAERN CCNC(=O)CCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173969016 416070082 /nfs/dbraw/zinc/07/00/82/416070082.db2.gz XDWDVZCJSIRYGU-KBPBESRZSA-N 0 0 311.426 0.472 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1C(N)=O ZINC000158824280 416002684 /nfs/dbraw/zinc/00/26/84/416002684.db2.gz LBWRGHCLJJLYOR-ZJUUUORDSA-N 0 0 300.380 0.389 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCN3CCCC[C@@H]3C2)s1 ZINC000301220711 416078396 /nfs/dbraw/zinc/07/83/96/416078396.db2.gz BJZBEMGCJVJKNJ-SECBINFHSA-N 0 0 302.425 0.465 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCC2CCSCC2)C1 ZINC000356957295 416011501 /nfs/dbraw/zinc/01/15/01/416011501.db2.gz HFUYHEKMWUIEDI-RYUDHWBXSA-N 0 0 300.424 0.930 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1=O ZINC000163875037 416016885 /nfs/dbraw/zinc/01/68/85/416016885.db2.gz HBZACZCGOHPXFZ-LBPRGKRZSA-N 0 0 305.382 0.540 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000166714012 416021532 /nfs/dbraw/zinc/02/15/32/416021532.db2.gz CJWHLDFXQCMVQI-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)ccc1=O ZINC000170705657 416030135 /nfs/dbraw/zinc/03/01/35/416030135.db2.gz VCJCPKCWQYZVPC-LBPRGKRZSA-N 0 0 304.350 0.660 10 0 DCAERN O=C(CN1CCC[C@H](n2cncn2)C1)NC(=O)NC1CCCC1 ZINC000171615517 416040977 /nfs/dbraw/zinc/04/09/77/416040977.db2.gz RGEIKLDFSWIGSS-ZDUSSCGKSA-N 0 0 320.397 0.683 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174901153 416090649 /nfs/dbraw/zinc/09/06/49/416090649.db2.gz PMEQGSVICZUFJH-RYUDHWBXSA-N 0 0 301.412 0.075 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN(C)CC2)c1 ZINC000175076427 416095544 /nfs/dbraw/zinc/09/55/44/416095544.db2.gz UCTPZBLNDKXBED-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(N)(=O)=O ZINC000175213217 416099086 /nfs/dbraw/zinc/09/90/86/416099086.db2.gz OQILRSYNUSJMGU-JTQLQIEISA-N 0 0 305.425 0.257 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(N)=O ZINC000175444674 416106239 /nfs/dbraw/zinc/10/62/39/416106239.db2.gz LGEOCTXFGUVDPP-SMDDNHRTSA-N 0 0 305.378 0.823 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175588304 416110748 /nfs/dbraw/zinc/11/07/48/416110748.db2.gz UUJJRSXSCMWHDA-WOPDTQHZSA-N 0 0 323.359 0.706 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1N1CCOCC1 ZINC000175656943 416112893 /nfs/dbraw/zinc/11/28/93/416112893.db2.gz SOEQIKMKEQIKOU-HUUCEWRRSA-N 0 0 321.425 0.635 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051869 416118509 /nfs/dbraw/zinc/11/85/09/416118509.db2.gz PZMSDJUDVKZJMT-MWLCHTKSSA-N 0 0 311.304 0.026 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC(OCC(C)C)CC1 ZINC000176086042 416118589 /nfs/dbraw/zinc/11/85/89/416118589.db2.gz OVYLSCLDNJXXRU-UHFFFAOYSA-N 0 0 320.455 0.932 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@H]1CN(Cc2nc3c(cccc3F)[nH]2)C[C@H]1O ZINC000328603544 416123995 /nfs/dbraw/zinc/12/39/95/416123995.db2.gz GKKTXSSMSCQZJD-NWDGAFQWSA-N 0 0 322.340 0.264 10 0 DCAERN NC(=O)[C@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCO1 ZINC000328655807 416124870 /nfs/dbraw/zinc/12/48/70/416124870.db2.gz YSHBRTKVFCOAQU-WDEREUQCSA-N 0 0 307.354 0.808 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCOCC1 ZINC000176396002 416126409 /nfs/dbraw/zinc/12/64/09/416126409.db2.gz QNNQZFIYMAYABD-VXGBXAGGSA-N 0 0 308.386 0.133 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)CN1CCOCC1 ZINC000176537849 416128463 /nfs/dbraw/zinc/12/84/63/416128463.db2.gz QLIRKUWYSWYLBD-QWHCGFSZSA-N 0 0 322.413 0.381 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176587024 416130045 /nfs/dbraw/zinc/13/00/45/416130045.db2.gz CRRJWDZLSAUBPQ-VXGBXAGGSA-N 0 0 311.386 0.446 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccco3)C2)cn1 ZINC000176774438 416135258 /nfs/dbraw/zinc/13/52/58/416135258.db2.gz NJFOBJUTPDKASF-ZDUSSCGKSA-N 0 0 301.302 0.987 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@H](C)CS(C)(=O)=O ZINC000176898595 416136846 /nfs/dbraw/zinc/13/68/46/416136846.db2.gz LRMWRZVVPBVPGF-LLVKDONJSA-N 0 0 301.412 0.836 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC000357828668 416138750 /nfs/dbraw/zinc/13/87/50/416138750.db2.gz ABXQBLZLDAIHNO-WCQYABFASA-N 0 0 310.398 0.260 10 0 DCAERN Cc1cc(Cn2nnc(C(=O)NC[C@H](CO)C3CC3)c2C)on1 ZINC000357834226 416139268 /nfs/dbraw/zinc/13/92/68/416139268.db2.gz ZZKAHFFSSIXADK-GFCCVEGCSA-N 0 0 319.365 0.680 10 0 DCAERN O=C(NCCCN1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177338290 416143649 /nfs/dbraw/zinc/14/36/49/416143649.db2.gz NJZAWQGQMODJGW-OAHLLOKOSA-N 0 0 321.425 0.779 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177382035 416144977 /nfs/dbraw/zinc/14/49/77/416144977.db2.gz XMLGMQMKBGLEAV-CYBMUJFWSA-N 0 0 307.398 0.972 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CCO1 ZINC000357891479 416148316 /nfs/dbraw/zinc/14/83/16/416148316.db2.gz JIOAWZBXKDDLHV-DAXOMENPSA-N 0 0 318.373 0.832 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)ccn1 ZINC000357900115 416149847 /nfs/dbraw/zinc/14/98/47/416149847.db2.gz NZHUKRRVHAQCFT-JTQLQIEISA-N 0 0 305.334 0.561 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCN3CCCC[C@@H]3C2)C1 ZINC000329146343 416153099 /nfs/dbraw/zinc/15/30/99/416153099.db2.gz XEVSOKUQHURBJJ-GDBMZVCRSA-N 0 0 309.410 0.057 10 0 DCAERN CCNC(=O)CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178686584 416169237 /nfs/dbraw/zinc/16/92/37/416169237.db2.gz NXWIAWOHTFHKSA-UHFFFAOYSA-N 0 0 307.398 0.520 10 0 DCAERN CC(C)Oc1cccnc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178720201 416170701 /nfs/dbraw/zinc/17/07/01/416170701.db2.gz RXVDRZYCHOFMNR-CYBMUJFWSA-N 0 0 304.394 0.598 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCN1C[C@@H](C)O ZINC000178815148 416173844 /nfs/dbraw/zinc/17/38/44/416173844.db2.gz OMJGARAGYXUWIY-MCIONIFRSA-N 0 0 320.455 0.272 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)s1 ZINC000178884197 416175703 /nfs/dbraw/zinc/17/57/03/416175703.db2.gz HFFVJNLUHQBPSX-CQSZACIVSA-N 0 0 312.414 0.797 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000178918742 416175867 /nfs/dbraw/zinc/17/58/67/416175867.db2.gz GDCPPLZACZPNEA-WMLDXEAASA-N 0 0 318.373 0.559 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)Cc1cccc(OC)c1)C(C)C ZINC000178930335 416177221 /nfs/dbraw/zinc/17/72/21/416177221.db2.gz MCVRSHHFAZPTDZ-CYBMUJFWSA-N 0 0 314.407 0.885 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000179259315 416184751 /nfs/dbraw/zinc/18/47/51/416184751.db2.gz YIBSYIPLVISLFI-UHFFFAOYSA-N 0 0 304.306 0.780 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000179428089 416186985 /nfs/dbraw/zinc/18/69/85/416186985.db2.gz MBOOQYOBPZMPMA-UHFFFAOYSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1O ZINC000179498267 416189168 /nfs/dbraw/zinc/18/91/68/416189168.db2.gz NQVVPYQZKMHIBI-GHMZBOCLSA-N 0 0 315.377 0.983 10 0 DCAERN C[N@@H+]1CC[C@H](NC(=O)NCC2(CO)COC2)[C@@H]1c1ccccc1 ZINC000179488198 416189806 /nfs/dbraw/zinc/18/98/06/416189806.db2.gz DMYBZADKRVMYOM-GJZGRUSLSA-N 0 0 319.405 0.740 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000179593294 416190105 /nfs/dbraw/zinc/19/01/05/416190105.db2.gz HBHIHUSZKCCEOO-UHFFFAOYSA-N 0 0 322.394 0.545 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)N1CCO[C@@H](CO)C1 ZINC000329805179 416191137 /nfs/dbraw/zinc/19/11/37/416191137.db2.gz AMHJRSTXOZALCO-GFCCVEGCSA-N 0 0 309.370 1.008 10 0 DCAERN COC[C@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)OC ZINC000358096206 416191600 /nfs/dbraw/zinc/19/16/00/416191600.db2.gz FEUMYKMDZDSPFK-ONGXEEELSA-N 0 0 314.304 0.747 10 0 DCAERN COc1c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)nn1C ZINC000180113484 416193721 /nfs/dbraw/zinc/19/37/21/416193721.db2.gz CLQHUIUFIPCTPJ-GFCCVEGCSA-N 0 0 306.370 0.737 10 0 DCAERN O=C(Nc1ccon1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000180494739 416196725 /nfs/dbraw/zinc/19/67/25/416196725.db2.gz PUDGTLKVQCIGJH-LLVKDONJSA-N 0 0 308.338 0.777 10 0 DCAERN CC(=O)N1CCC[C@H](CNc2nccn(C(F)F)c2=O)C1 ZINC000340916939 416197345 /nfs/dbraw/zinc/19/73/45/416197345.db2.gz YOBBBTYRMAHQBA-SNVBAGLBSA-N 0 0 300.309 1.309 10 0 DCAERN COC(=O)[C@@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000348203059 416234070 /nfs/dbraw/zinc/23/40/70/416234070.db2.gz NSNUIUQGTNCQBN-JQWIXIFHSA-N 0 0 304.412 0.199 10 0 DCAERN CC[C@@H](CCO)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180602345 416200120 /nfs/dbraw/zinc/20/01/20/416200120.db2.gz LAGBNOFMRBGFNG-JTQLQIEISA-N 0 0 317.349 0.687 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)COCC(F)(F)F)cn1 ZINC000181377260 416205875 /nfs/dbraw/zinc/20/58/75/416205875.db2.gz REKNBIOESNTZFH-JTQLQIEISA-N 0 0 306.288 0.472 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)cn1 ZINC000181413680 416208756 /nfs/dbraw/zinc/20/87/56/416208756.db2.gz MGLVTWXHDGDRPL-CQSZACIVSA-N 0 0 314.393 0.668 10 0 DCAERN Cn1ccc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000181549531 416210229 /nfs/dbraw/zinc/21/02/29/416210229.db2.gz VNVLEEBSRGIGSS-CYBMUJFWSA-N 0 0 302.382 0.481 10 0 DCAERN Cn1ccc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000181549548 416210488 /nfs/dbraw/zinc/21/04/88/416210488.db2.gz VNVLEEBSRGIGSS-ZDUSSCGKSA-N 0 0 302.382 0.481 10 0 DCAERN COC1(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CCC1 ZINC000181806337 416212139 /nfs/dbraw/zinc/21/21/39/416212139.db2.gz KMNCZWMZFCOJMI-KBPBESRZSA-N 0 0 311.426 0.918 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccn(C)n1 ZINC000181729807 416212150 /nfs/dbraw/zinc/21/21/50/416212150.db2.gz IKBMNRAWGUUMOD-LLVKDONJSA-N 0 0 304.354 0.352 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181703272 416212482 /nfs/dbraw/zinc/21/24/82/416212482.db2.gz AHNWKVZCQGNKQU-LBPRGKRZSA-N 0 0 324.410 0.095 10 0 DCAERN O=C(CC(=O)N[C@H]1Cc2ccccc2[C@H]1O)NCC(F)(F)F ZINC000182134239 416213472 /nfs/dbraw/zinc/21/34/72/416213472.db2.gz SRVULDNZBMTIAH-GXFFZTMASA-N 0 0 316.279 0.830 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000182055146 416214336 /nfs/dbraw/zinc/21/43/36/416214336.db2.gz QYOXQUPXKBPJAB-VSZDKKFSSA-N 0 0 303.362 0.734 10 0 DCAERN CNc1nnc(SC[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000330721962 416234466 /nfs/dbraw/zinc/23/44/66/416234466.db2.gz HJCBISWICKFLPT-ZETCQYMHSA-N 0 0 308.454 0.953 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000182007468 416214525 /nfs/dbraw/zinc/21/45/25/416214525.db2.gz DSSLQFVKRHUNQD-KBPBESRZSA-N 0 0 321.425 0.365 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)Cn2ncn(C)c2=O)c1 ZINC000182261287 416217363 /nfs/dbraw/zinc/21/73/63/416217363.db2.gz PSYGCIDISBDZDR-UHFFFAOYSA-N 0 0 303.322 0.203 10 0 DCAERN COCc1noc(CN2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000182368866 416219599 /nfs/dbraw/zinc/21/95/99/416219599.db2.gz HHFRBWZLPNQUEX-CYBMUJFWSA-N 0 0 310.398 0.903 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)C2CC2)c(C)o1 ZINC000358296540 416221413 /nfs/dbraw/zinc/22/14/13/416221413.db2.gz DJZYWGDZAKSMDW-JTQLQIEISA-N 0 0 316.379 0.244 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000182461469 416222104 /nfs/dbraw/zinc/22/21/04/416222104.db2.gz DJZNVQFOXUGFRW-LBPRGKRZSA-N 0 0 309.370 0.653 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)NC[C@H](CO)C1CC1 ZINC000358302184 416222449 /nfs/dbraw/zinc/22/24/49/416222449.db2.gz JJKQIYLRMQOHGO-CYBMUJFWSA-N 0 0 306.362 0.316 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@H](O)C1 ZINC000182520945 416224540 /nfs/dbraw/zinc/22/45/40/416224540.db2.gz QSAUWYQEBUSTOM-KBPBESRZSA-N 0 0 318.377 0.743 10 0 DCAERN COc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1-n1cnnn1 ZINC000358335453 416224568 /nfs/dbraw/zinc/22/45/68/416224568.db2.gz HQVRNVWNJVSZMN-GFCCVEGCSA-N 0 0 317.349 0.419 10 0 DCAERN O=C(COCCNC(=O)c1ccccc1)NC[C@@H](CO)C1CC1 ZINC000358334149 416224898 /nfs/dbraw/zinc/22/48/98/416224898.db2.gz IRGHEXZUGFDUSS-HNNXBMFYSA-N 0 0 320.389 0.568 10 0 DCAERN O=C(CNC(=O)NCc1ccc(CO)c(F)c1)NCC1CC1 ZINC000182553452 416225817 /nfs/dbraw/zinc/22/58/17/416225817.db2.gz DIPNXOFBRJEKAN-UHFFFAOYSA-N 0 0 309.341 0.643 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@H]1CO ZINC000182538898 416226488 /nfs/dbraw/zinc/22/64/88/416226488.db2.gz LCGPJSTUZUVFQQ-UONOGXRCSA-N 0 0 318.377 0.743 10 0 DCAERN Cc1ccc([C@@H](C)NCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000182565301 416226541 /nfs/dbraw/zinc/22/65/41/416226541.db2.gz HONMTCSBPMDTFQ-SECBINFHSA-N 0 0 317.349 0.713 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H](C)COC)CCO2)[nH]1 ZINC000178141537 416157734 /nfs/dbraw/zinc/15/77/34/416157734.db2.gz JPJOFDBBCHZSLM-QWRGUYRKSA-N 0 0 311.386 0.733 10 0 DCAERN NS(=O)(=O)CCCN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000178405520 416163261 /nfs/dbraw/zinc/16/32/61/416163261.db2.gz GNQZSJOEOJMPBN-NWDGAFQWSA-N 0 0 318.395 0.083 10 0 DCAERN COCCCNC(=O)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178521915 416164381 /nfs/dbraw/zinc/16/43/81/416164381.db2.gz HIYXXMHZFWCSNK-GFCCVEGCSA-N 0 0 300.399 0.803 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)c2ccn(C)n2)c1 ZINC000358450077 416240200 /nfs/dbraw/zinc/24/02/00/416240200.db2.gz PZSBFZLQWVAALI-UHFFFAOYSA-N 0 0 308.363 0.605 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)c2cnccc2N(C)C)n1 ZINC000183519677 416243297 /nfs/dbraw/zinc/24/32/97/416243297.db2.gz CLMARNJQNVHFDG-UHFFFAOYSA-N 0 0 303.322 0.769 10 0 DCAERN O=C(Nc1ccon1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000183524709 416243326 /nfs/dbraw/zinc/24/33/26/416243326.db2.gz JBSWOJMGVLKQKP-SNVBAGLBSA-N 0 0 314.367 0.706 10 0 DCAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC(C)(CO)CO)c1 ZINC000183523900 416243696 /nfs/dbraw/zinc/24/36/96/416243696.db2.gz SDDLCOAMZCJOEC-ZWNOBZJWSA-N 0 0 306.362 0.754 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1cc(OC)ccc1F)OC ZINC000358818141 416278122 /nfs/dbraw/zinc/27/81/22/416278122.db2.gz CJOHVSQSHGSMOQ-SNVBAGLBSA-N 0 0 314.313 0.550 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)N2CCCC2)C1 ZINC000358584001 416257423 /nfs/dbraw/zinc/25/74/23/416257423.db2.gz IBJJEDCBQRSTRP-NSHDSACASA-N 0 0 304.416 0.063 10 0 DCAERN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189809195 416270992 /nfs/dbraw/zinc/27/09/92/416270992.db2.gz JCZZACHBWQJWJN-CQSZACIVSA-N 0 0 321.377 0.725 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000190115340 416276320 /nfs/dbraw/zinc/27/63/20/416276320.db2.gz DUQFUUCECXSOAL-LLVKDONJSA-N 0 0 321.377 0.706 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CC(n3ccnn3)C2)c1 ZINC000358430844 416236930 /nfs/dbraw/zinc/23/69/30/416236930.db2.gz DWLZNQRILHSQKO-UHFFFAOYSA-N 0 0 304.285 0.605 10 0 DCAERN CCC[C@@H]1C[C@H](C(=O)NC[C@H](O)CN2CCOCC2)CCO1 ZINC000183202112 416238423 /nfs/dbraw/zinc/23/84/23/416238423.db2.gz LGPGQDHOVPOUSB-QLFBSQMISA-N 0 0 314.426 0.391 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c(C)o1 ZINC000183245658 416238778 /nfs/dbraw/zinc/23/87/78/416238778.db2.gz IMYOHOTVPIUCGQ-ZDUSSCGKSA-N 0 0 314.407 0.992 10 0 DCAERN CC1=C(C(=O)NC[C@H]2CN(C)CCO2)[C@H](C)n2ncnc2N1C ZINC000192197361 416300868 /nfs/dbraw/zinc/30/08/68/416300868.db2.gz ORAJMJILDQXNBG-RYUDHWBXSA-N 0 0 320.397 0.010 10 0 DCAERN CCN1CN(C(=O)Nc2cccc(-n3ccnn3)c2)CC1=O ZINC000192342169 416302878 /nfs/dbraw/zinc/30/28/78/416302878.db2.gz YSZDLVBLMZYETR-UHFFFAOYSA-N 0 0 300.322 0.921 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000192481470 416305404 /nfs/dbraw/zinc/30/54/04/416305404.db2.gz KGWXTKJSUYJUSY-KBPBESRZSA-N 0 0 312.410 0.756 10 0 DCAERN C[C@@H](NC(=O)N1CCN(CCS(N)(=O)=O)CC1)C(C)(C)C ZINC000192468518 416305697 /nfs/dbraw/zinc/30/56/97/416305697.db2.gz IIWLSROVIHMRBK-LLVKDONJSA-N 0 0 320.459 0.037 10 0 DCAERN CC1(C)Cc2cccc(S(=O)(=O)N3CCNC(=O)CC3)c2O1 ZINC000192625921 416308570 /nfs/dbraw/zinc/30/85/70/416308570.db2.gz IYHMVLHISOABEI-UHFFFAOYSA-N 0 0 324.402 0.911 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000192671015 416309535 /nfs/dbraw/zinc/30/95/35/416309535.db2.gz HRDGYAIQAAOEMV-TZMCWYRMSA-N 0 0 308.378 0.994 10 0 DCAERN COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cn2)n1 ZINC000193151257 416312580 /nfs/dbraw/zinc/31/25/80/416312580.db2.gz NUSABOXSCNCUHA-UHFFFAOYSA-N 0 0 304.281 0.879 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193030717 416313130 /nfs/dbraw/zinc/31/31/30/416313130.db2.gz HRWMTHJBZNDBGA-ZDUSSCGKSA-N 0 0 318.377 0.764 10 0 DCAERN O=C(Nc1ccc2cc[nH]c2c1)C(=O)N1CCN(CCO)CC1 ZINC000193249944 416314031 /nfs/dbraw/zinc/31/40/31/416314031.db2.gz QWZQDBHBLCREDT-UHFFFAOYSA-N 0 0 316.361 0.243 10 0 DCAERN Cc1cccc(CNC(=O)NCCC(=O)N2CCN(C)CC2)n1 ZINC000193444236 416316660 /nfs/dbraw/zinc/31/66/60/416316660.db2.gz QXKLOZPRDGEFNO-UHFFFAOYSA-N 0 0 319.409 0.353 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)C[C@H](C)O1 ZINC000193880398 416319925 /nfs/dbraw/zinc/31/99/25/416319925.db2.gz KPWSLQPNZSKVGS-HZSPNIEDSA-N 0 0 317.455 0.511 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358820192 416279724 /nfs/dbraw/zinc/27/97/24/416279724.db2.gz IQYZZACMJJUQRX-CQSZACIVSA-N 0 0 305.378 0.646 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)NCCCn2ccnn2)s1 ZINC000190711026 416281266 /nfs/dbraw/zinc/28/12/66/416281266.db2.gz BFZUDHQTONFTGM-UHFFFAOYSA-N 0 0 322.394 0.832 10 0 DCAERN NC(=O)COc1cccc(CNC(=O)NCCc2cn[nH]c2)c1 ZINC000358845426 416283862 /nfs/dbraw/zinc/28/38/62/416283862.db2.gz OBMAUJASNZVPAW-UHFFFAOYSA-N 0 0 317.349 0.316 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCS1 ZINC000191345716 416287558 /nfs/dbraw/zinc/28/75/58/416287558.db2.gz IXFBHOBZTJRWSW-JTQLQIEISA-N 0 0 321.406 0.484 10 0 DCAERN CCN(CC(N)=O)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000191697363 416288554 /nfs/dbraw/zinc/28/85/54/416288554.db2.gz CPLDCFNRJAHJPM-UHFFFAOYSA-N 0 0 306.391 0.781 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)cn1 ZINC000191797185 416290271 /nfs/dbraw/zinc/29/02/71/416290271.db2.gz DPJRGNBZTLLUHV-CQSZACIVSA-N 0 0 316.361 0.815 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246790439 416332267 /nfs/dbraw/zinc/33/22/67/416332267.db2.gz PKXYJCAWVGAQSX-MELADBBJSA-N 0 0 320.455 0.584 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000248874223 416333830 /nfs/dbraw/zinc/33/38/30/416333830.db2.gz DYSIOHAAUQAFLS-KCPJHIHWSA-N 0 0 317.389 0.886 10 0 DCAERN C[C@@H](CN1CCN(CC(C)(C)O)[C@@H](C)C1)CS(C)(=O)=O ZINC000249379116 416334290 /nfs/dbraw/zinc/33/42/90/416334290.db2.gz OSLIVXMDCBKQES-STQMWFEESA-N 0 0 306.472 0.444 10 0 DCAERN CN[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cnn(C)c1 ZINC000262275940 416336450 /nfs/dbraw/zinc/33/64/50/416336450.db2.gz WJHNQLWGUHRVQM-AWEZNQCLSA-N 0 0 315.333 0.650 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCOC1 ZINC000359471868 416347178 /nfs/dbraw/zinc/34/71/78/416347178.db2.gz WZJNTPWLXYVTRI-OAHLLOKOSA-N 0 0 309.366 0.743 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000359519187 416348820 /nfs/dbraw/zinc/34/88/20/416348820.db2.gz UWEUUTKKPJESEH-HIFRSBDPSA-N 0 0 322.405 0.955 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000359525785 416349429 /nfs/dbraw/zinc/34/94/29/416349429.db2.gz PWAGIVVFBRHXRB-MNOVXSKESA-N 0 0 311.382 0.781 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000359522819 416349474 /nfs/dbraw/zinc/34/94/74/416349474.db2.gz FJQKMQHXCMPZOH-QWRGUYRKSA-N 0 0 311.382 0.781 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)N1CCc2sccc2C1 ZINC000194797974 416324543 /nfs/dbraw/zinc/32/45/43/416324543.db2.gz DYMPKXRKCCUMKC-CMPLNLGQSA-N 0 0 307.419 0.747 10 0 DCAERN CCn1c(CCNC(=O)[C@@H]2CNC(=O)C2)nc2ccccc21 ZINC000194883870 416324955 /nfs/dbraw/zinc/32/49/55/416324955.db2.gz TVBWWLSLVQRQIN-NSHDSACASA-N 0 0 300.362 0.851 10 0 DCAERN Cc1csc2c1ncn(C[C@H](O)CN1CCOCC1)c2=O ZINC000195253104 416325690 /nfs/dbraw/zinc/32/56/90/416325690.db2.gz XSDXLMXPQHSDJD-LLVKDONJSA-N 0 0 309.391 0.460 10 0 DCAERN O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@H]1COCCN1 ZINC000237909417 416329288 /nfs/dbraw/zinc/32/92/88/416329288.db2.gz KKCYFIPEKXWLPS-HZPDHXFCSA-N 0 0 319.405 0.165 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246322742 416331880 /nfs/dbraw/zinc/33/18/80/416331880.db2.gz DDJBNFJSXIXZJS-VXGBXAGGSA-N 0 0 323.359 0.660 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)SC)C1 ZINC000360135762 416373968 /nfs/dbraw/zinc/37/39/68/416373968.db2.gz REJLSZFWTGTAMH-GHMZBOCLSA-N 0 0 315.439 0.371 10 0 DCAERN NC(=O)N1CCC[C@@H](CNC(=O)Cn2ncc3ccccc32)C1 ZINC000360254845 416382820 /nfs/dbraw/zinc/38/28/20/416382820.db2.gz DWJTXYLVSXXJMF-LBPRGKRZSA-N 0 0 315.377 0.943 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(F)(F)[C@@H](CO)C2)C1 ZINC000360285923 416384106 /nfs/dbraw/zinc/38/41/06/416384106.db2.gz VKCNCRUQKCXBRV-WDEREUQCSA-N 0 0 312.382 0.913 10 0 DCAERN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CC(=O)N(C)C1 ZINC000360466949 416391630 /nfs/dbraw/zinc/39/16/30/416391630.db2.gz IOSWETTXCHSYBV-CQSZACIVSA-N 0 0 308.334 0.649 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC(N)=O)c(C)c1 ZINC000360506593 416394032 /nfs/dbraw/zinc/39/40/32/416394032.db2.gz FZOBHSJBDPYEKW-VIFPVBQESA-N 0 0 314.363 0.324 10 0 DCAERN O=C(Cn1ncc2ccccc21)N[C@@H](CO)C1CCOCC1 ZINC000360677848 416403004 /nfs/dbraw/zinc/40/30/04/416403004.db2.gz TVWYTRDRAJIUPZ-AWEZNQCLSA-N 0 0 303.362 0.940 10 0 DCAERN Cc1nc(NC(=O)[C@@H](C)N(C)Cc2nnnn2C)sc1C ZINC000533024285 416469647 /nfs/dbraw/zinc/46/96/47/416469647.db2.gz RVLTVGGFVZULFX-MRVPVSSYSA-N 0 0 309.399 0.742 10 0 DCAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cnns2)o1 ZINC000583621722 416479975 /nfs/dbraw/zinc/47/99/75/416479975.db2.gz BCZXPJIZFPHNPD-YUMQZZPRSA-N 0 0 312.330 0.576 10 0 DCAERN O=C(C1CCC1)N1CCN(CCNc2ncc(F)cn2)CC1 ZINC000533468004 416488487 /nfs/dbraw/zinc/48/84/87/416488487.db2.gz FNHFKZIAFKWRGI-UHFFFAOYSA-N 0 0 307.373 0.972 10 0 DCAERN COC(=O)[C@@H]1CCCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000361190692 416424635 /nfs/dbraw/zinc/42/46/35/416424635.db2.gz ZQWJTMNRJGJMSE-SSDOTTSWSA-N 0 0 305.381 0.180 10 0 DCAERN O=C(NCCn1cccn1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361193750 416425116 /nfs/dbraw/zinc/42/51/16/416425116.db2.gz JGDXHTXLEMVYBO-LLVKDONJSA-N 0 0 306.288 0.982 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000361205124 416425384 /nfs/dbraw/zinc/42/53/84/416425384.db2.gz PVCAXPSYWFCUJV-WUHRBBMRSA-N 0 0 313.398 0.489 10 0 DCAERN C/C=C/C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC ZINC000361420899 416435084 /nfs/dbraw/zinc/43/50/84/416435084.db2.gz QAKZJLMLGSULGB-DUMNWFOQSA-N 0 0 301.368 0.596 10 0 DCAERN C/C=C/C[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OCC ZINC000361538792 416445060 /nfs/dbraw/zinc/44/50/60/416445060.db2.gz SUVMAKLKQFJOQJ-PYEVWLCESA-N 0 0 305.334 0.808 10 0 DCAERN C/C=C/C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OCC ZINC000361538791 416445115 /nfs/dbraw/zinc/44/51/15/416445115.db2.gz SUVMAKLKQFJOQJ-OGOUPESXSA-N 0 0 305.334 0.808 10 0 DCAERN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000361913820 416521756 /nfs/dbraw/zinc/52/17/56/416521756.db2.gz ZBHXXLGAGPPXIS-UHFFFAOYSA-N 0 0 312.333 0.860 10 0 DCAERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000535713096 416525360 /nfs/dbraw/zinc/52/53/60/416525360.db2.gz FPABPNUETREJPV-WDEREUQCSA-N 0 0 319.361 0.831 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000361952965 416533125 /nfs/dbraw/zinc/53/31/25/416533125.db2.gz VCJVUNOZXYPNAD-VIFPVBQESA-N 0 0 309.370 0.075 10 0 DCAERN O=C(CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCOCC1 ZINC000151266596 196657569 /nfs/dbraw/zinc/65/75/69/196657569.db2.gz BMXNPAIFDUXIMS-PBHICJAKSA-N 0 0 324.421 0.779 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCO[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000362077218 416557566 /nfs/dbraw/zinc/55/75/66/416557566.db2.gz IVYHUQDKGABQKA-OUAUKWLOSA-N 0 0 309.366 0.533 10 0 DCAERN O=C1Nc2ccccc2CC[C@H]1N1CCN2CCOC[C@H]2C1 ZINC000361769976 416493911 /nfs/dbraw/zinc/49/39/11/416493911.db2.gz VEDQSZGRDCTKAF-GDBMZVCRSA-N 0 0 301.390 0.956 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000534264475 416494381 /nfs/dbraw/zinc/49/43/81/416494381.db2.gz OTSSZTVZICLUAZ-RYUDHWBXSA-N 0 0 322.409 0.437 10 0 DCAERN O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)NCCc1cccc2cccnc21 ZINC000534766135 416509576 /nfs/dbraw/zinc/50/95/76/416509576.db2.gz DFPDTNGPWPFYFD-OKILXGFUSA-N 0 0 323.352 0.898 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000435208056 416512914 /nfs/dbraw/zinc/51/29/14/416512914.db2.gz PJBATVXLKTWEPL-GRYCIOLGSA-N 0 0 305.444 0.569 10 0 DCAERN C[S@](=O)C1(CNC(=O)N2CCSC[C@H]2CCO)CCC1 ZINC000438599961 416599416 /nfs/dbraw/zinc/59/94/16/416599416.db2.gz SUIKUPBYIZBMEJ-GIPWTMENSA-N 0 0 320.480 0.797 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000541548319 416608710 /nfs/dbraw/zinc/60/87/10/416608710.db2.gz BMOCJXAABJARFD-DGCLKSJQSA-N 0 0 314.345 0.940 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC000364286779 416582841 /nfs/dbraw/zinc/58/28/41/416582841.db2.gz DVPFHBUUMKSUBJ-JQWIXIFHSA-N 0 0 305.382 0.796 10 0 DCAERN Cc1nc(CN(C)C(=O)c2ccc(OCC(N)=O)cc2)no1 ZINC000539784800 416583740 /nfs/dbraw/zinc/58/37/40/416583740.db2.gz ZDUQKVLMVXWGGQ-UHFFFAOYSA-N 0 0 304.306 0.514 10 0 DCAERN Cc1ccc(-c2noc(CN3CC[C@@H](S(N)(=O)=O)C3)n2)cc1 ZINC000540062259 416587176 /nfs/dbraw/zinc/58/71/76/416587176.db2.gz QZKHXOUSOHOIGR-GFCCVEGCSA-N 0 0 322.390 0.908 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000540309271 416590009 /nfs/dbraw/zinc/59/00/09/416590009.db2.gz QXSXRRPSJDHXOQ-JTQLQIEISA-N 0 0 305.334 0.561 10 0 DCAERN CC1(C)CN(C(=O)CCc2nnc[nH]2)C[C@]2(CCCOC2)O1 ZINC000366432985 416625981 /nfs/dbraw/zinc/62/59/81/416625981.db2.gz RHGVQUWSGPNTHB-HNNXBMFYSA-N 0 0 308.382 0.924 10 0 DCAERN O=C(c1c[nH]nc1-c1cccnc1)N1CCN2CCOC[C@@H]2C1 ZINC000542684963 416628279 /nfs/dbraw/zinc/62/82/79/416628279.db2.gz LCKBAMBIDPPUEL-ZDUSSCGKSA-N 0 0 313.361 0.628 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440378900 416632586 /nfs/dbraw/zinc/63/25/86/416632586.db2.gz HBDJWMHWNZNABY-ZJUUUORDSA-N 0 0 309.370 0.607 10 0 DCAERN CNC(=O)C1CCN(C(=O)Nc2ccn(CCCOC)n2)CC1 ZINC000605934167 416642892 /nfs/dbraw/zinc/64/28/92/416642892.db2.gz OSNYFDYLQXCUHC-UHFFFAOYSA-N 0 0 323.397 0.910 10 0 DCAERN COC[C@@H](NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C(C)C ZINC000544159483 416651630 /nfs/dbraw/zinc/65/16/30/416651630.db2.gz KLDRRHCMCGKPHM-SNVBAGLBSA-N 0 0 311.386 0.759 10 0 DCAERN O=C(c1cc(Br)c[nH]1)N1CCN2CCOC[C@@H]2C1 ZINC000544580948 416657738 /nfs/dbraw/zinc/65/77/38/416657738.db2.gz GYPBVGNSFHYEBQ-JTQLQIEISA-N 0 0 314.183 0.934 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCN2CCOC[C@H]2C1 ZINC000544650355 416658410 /nfs/dbraw/zinc/65/84/10/416658410.db2.gz KVVUMTFFMPWQHB-ZIAGYGMSSA-N 0 0 309.410 0.814 10 0 DCAERN COc1cccc(CCNC(=O)NCCNC(=O)C2CC2)n1 ZINC000441246811 416666476 /nfs/dbraw/zinc/66/64/76/416666476.db2.gz QBXADSISNBXQIF-UHFFFAOYSA-N 0 0 306.366 0.458 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000545229125 416666593 /nfs/dbraw/zinc/66/65/93/416666593.db2.gz GGBNTAWVDOGVMA-OCCSQVGLSA-N 0 0 308.386 0.557 10 0 DCAERN CCc1nc(C(C)(C)NCCCNS(=O)(=O)CC)no1 ZINC000441283753 416667957 /nfs/dbraw/zinc/66/79/57/416667957.db2.gz WSSDYOBDRJXBTH-UHFFFAOYSA-N 0 0 304.416 0.786 10 0 DCAERN COC(=O)C[C@]1(NC(=O)c2cn3cccnc3n2)CCOC1 ZINC000545243112 416668479 /nfs/dbraw/zinc/66/84/79/416668479.db2.gz DACWIIOIABGFHZ-CQSZACIVSA-N 0 0 304.306 0.181 10 0 DCAERN COc1cccc(CCNC(=O)NCCNC(=O)C(C)C)n1 ZINC000441437794 416671327 /nfs/dbraw/zinc/67/13/27/416671327.db2.gz QMRUVNRSZAOVDZ-UHFFFAOYSA-N 0 0 308.382 0.704 10 0 DCAERN CCO[C@@H]1C[C@@H](Nc2nccn3nnnc23)C12CCOCC2 ZINC000546030104 416675951 /nfs/dbraw/zinc/67/59/51/416675951.db2.gz LROZKXOMGCATQA-GHMZBOCLSA-N 0 0 304.354 0.905 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C ZINC000623095348 416744687 /nfs/dbraw/zinc/74/46/87/416744687.db2.gz QDTHBPITDHTCTN-JHJVBQTASA-N 0 0 318.381 0.835 10 0 DCAERN Cc1c(CNC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)cnn1C ZINC000623101247 416746175 /nfs/dbraw/zinc/74/61/75/416746175.db2.gz FZDRFIXBOWNMBE-CHWSQXEVSA-N 0 0 318.381 0.791 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000442109805 416686528 /nfs/dbraw/zinc/68/65/28/416686528.db2.gz LQHZIIPNWLVDFT-GFCCVEGCSA-N 0 0 309.391 0.655 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H](C)C[S@](C)=O)no1 ZINC000442651277 416702498 /nfs/dbraw/zinc/70/24/98/416702498.db2.gz QCBHAQCOMUBIGO-FHZGZLOMSA-N 0 0 302.400 0.933 10 0 DCAERN Cc1nc([C@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C2CC2)no1 ZINC000515533994 416703157 /nfs/dbraw/zinc/70/31/57/416703157.db2.gz NLSHUOYIZUNAAS-JVXZTZIISA-N 0 0 316.383 0.057 10 0 DCAERN CCOCC1(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000442772901 416713841 /nfs/dbraw/zinc/71/38/41/416713841.db2.gz WCRYVMKXIDMKOX-UHFFFAOYSA-N 0 0 312.410 0.899 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)Cn2cncn2)(C(=O)OC)C1(C)C ZINC000614903474 416721904 /nfs/dbraw/zinc/72/19/04/416721904.db2.gz RCQMBBOXDZTTLC-IINYFYTJSA-N 0 0 310.354 0.141 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N(CCO)Cc1cccnc1 ZINC000369199233 416732068 /nfs/dbraw/zinc/73/20/68/416732068.db2.gz UHRCSRBTSJUFKO-CQSZACIVSA-N 0 0 305.378 0.709 10 0 DCAERN CN(C(=O)COc1cnn(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000443415808 416758414 /nfs/dbraw/zinc/75/84/14/416758414.db2.gz GUVJCLKSVKOODY-UHFFFAOYSA-N 0 0 323.374 0.865 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CCc3ncnn3C2)no1 ZINC000517117049 416780757 /nfs/dbraw/zinc/78/07/57/416780757.db2.gz LOAWZPBUECCKBJ-VIFPVBQESA-N 0 0 319.369 0.773 10 0 DCAERN Cn1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)n1 ZINC000558922998 416798166 /nfs/dbraw/zinc/79/81/66/416798166.db2.gz POYSVYHTGPJNOM-SWLSCSKDSA-N 0 0 307.394 0.647 10 0 DCAERN CSc1ccccc1S(=O)(=O)N(C)Cc1nnnn1C ZINC000444076048 416800818 /nfs/dbraw/zinc/80/08/18/416800818.db2.gz WVCADQOKNXCCMU-UHFFFAOYSA-N 0 0 313.408 0.753 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000369594034 416802254 /nfs/dbraw/zinc/80/22/54/416802254.db2.gz IEFZUBYJMMIJEU-SDDRHHMPSA-N 0 0 306.366 0.280 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000369594036 416802479 /nfs/dbraw/zinc/80/24/79/416802479.db2.gz IEFZUBYJMMIJEU-TUAOUCFPSA-N 0 0 306.366 0.280 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](COC)C1 ZINC000369631580 416808768 /nfs/dbraw/zinc/80/87/68/416808768.db2.gz ZMZMLVIMYRGTGP-QWRGUYRKSA-N 0 0 302.396 0.172 10 0 DCAERN O=C(CC1(O)CCCCC1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000369991929 416865063 /nfs/dbraw/zinc/86/50/63/416865063.db2.gz XSWLNOCPAMWZLD-CQSZACIVSA-N 0 0 324.421 0.968 10 0 DCAERN c1cc(NC[C@H]2COC3(CCCC3)O2)nc(N2CCOCC2)n1 ZINC000370374854 416894525 /nfs/dbraw/zinc/89/45/25/416894525.db2.gz PJMJCGVGRVZCRO-ZDUSSCGKSA-N 0 0 320.393 1.411 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000518818410 416878455 /nfs/dbraw/zinc/87/84/55/416878455.db2.gz BLWOOMNNRDXKBX-WCQYABFASA-N 0 0 301.346 0.434 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](CO)C(C)C ZINC000428203598 416881913 /nfs/dbraw/zinc/88/19/13/416881913.db2.gz GYKUKICUIKJSJX-CYBMUJFWSA-N 0 0 321.377 0.741 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN3CCOC[C@H]3C2)[nH]1 ZINC000370104946 416882828 /nfs/dbraw/zinc/88/28/28/416882828.db2.gz LMQVKYSICUCPOE-LLVKDONJSA-N 0 0 301.350 0.423 10 0 DCAERN COCC[C@]1(NC(=O)Nc2ncn(C(C)(C)C)n2)CCOC1 ZINC000559861377 416827374 /nfs/dbraw/zinc/82/73/74/416827374.db2.gz XBAMQUMSYOHFSH-AWEZNQCLSA-N 0 0 311.386 1.350 10 0 DCAERN CCn1c(-c2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000518222548 416846861 /nfs/dbraw/zinc/84/68/61/416846861.db2.gz XKNZEWYVGKMOQM-CYBMUJFWSA-N 0 0 314.393 0.881 10 0 DCAERN O=C(C1CCN(c2cnccn2)CC1)N1C[C@H](F)C[C@@H]1CO ZINC000444553590 416847273 /nfs/dbraw/zinc/84/72/73/416847273.db2.gz RRUNQRDVXFOUIA-CHWSQXEVSA-N 0 0 308.357 0.624 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@@H](C)C1 ZINC000623618624 416851784 /nfs/dbraw/zinc/85/17/84/416851784.db2.gz YPRWFGJSYIHJBU-JTQLQIEISA-N 0 0 313.398 0.043 10 0 DCAERN CN1CCN(CC(=O)Nc2nc(C(F)(F)F)cs2)CC1=O ZINC000444652904 416856693 /nfs/dbraw/zinc/85/66/93/416856693.db2.gz YOYMJMTWFOGUAI-UHFFFAOYSA-N 0 0 322.312 0.874 10 0 DCAERN O=C1CNC(=O)N1CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000519264395 416899005 /nfs/dbraw/zinc/89/90/05/416899005.db2.gz WSGLWRMQANACRX-CQSZACIVSA-N 0 0 319.361 0.318 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)Cc2cc(C)n[nH]2)c1 ZINC000445829211 416899042 /nfs/dbraw/zinc/89/90/42/416899042.db2.gz ZHQIYLOUYGPJEQ-UHFFFAOYSA-N 0 0 308.363 0.807 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H](O)Cc1cnn(C)c1)CC2 ZINC000615763880 416902007 /nfs/dbraw/zinc/90/20/07/416902007.db2.gz WQSXOBQFBHHKLZ-OLZOCXBDSA-N 0 0 321.377 0.125 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)NC3(CCC3)C2=O)c1 ZINC000445942389 416904195 /nfs/dbraw/zinc/90/41/95/416904195.db2.gz SFCLSNJQCAMEJT-UHFFFAOYSA-N 0 0 309.347 0.574 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ncns2)CC1 ZINC000615803562 416914180 /nfs/dbraw/zinc/91/41/80/416914180.db2.gz AFCNRLPJINUONT-GFCCVEGCSA-N 0 0 323.422 0.588 10 0 DCAERN O=C(N[C@H]1CCC[C@@H]1CCO)C(=O)N1CCOCC2(CC2)C1 ZINC000519728834 416933203 /nfs/dbraw/zinc/93/32/03/416933203.db2.gz XHFGSUACCPKTOU-OLZOCXBDSA-N 0 0 310.394 0.293 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000375867370 417014375 /nfs/dbraw/zinc/01/43/75/417014375.db2.gz FVZXVXBURWLFDZ-IATRGZMQSA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C)nn1C ZINC000624371437 417019415 /nfs/dbraw/zinc/01/94/15/417019415.db2.gz NQWCYSIAYFNMFT-UHFFFAOYSA-N 0 0 323.397 0.477 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)C1 ZINC000376125278 417020487 /nfs/dbraw/zinc/02/04/87/417020487.db2.gz JALYEEFFOOWARV-NSHDSACASA-N 0 0 303.366 0.243 10 0 DCAERN CC(=O)c1cccc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000565565646 416993235 /nfs/dbraw/zinc/99/32/35/416993235.db2.gz ICWBWSQNGYTMAH-UHFFFAOYSA-N 0 0 317.345 0.836 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000624262158 416993460 /nfs/dbraw/zinc/99/34/60/416993460.db2.gz JMRRJPULYHZXQR-QJPTWQEYSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@H](O)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000389111176 417096195 /nfs/dbraw/zinc/09/61/95/417096195.db2.gz MYSQDCTWYVFXIH-NSHDSACASA-N 0 0 301.346 0.928 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000566892890 417054882 /nfs/dbraw/zinc/05/48/82/417054882.db2.gz STCWQZZLXOKSAV-GFCCVEGCSA-N 0 0 322.413 1.413 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCC[C@H]1S(N)(=O)=O ZINC000616616475 417083080 /nfs/dbraw/zinc/08/30/80/417083080.db2.gz PTMCRCPZJYBJSW-SNVBAGLBSA-N 0 0 307.416 0.612 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616595527 417084418 /nfs/dbraw/zinc/08/44/18/417084418.db2.gz WUMKZQJNDXDBSN-SNVBAGLBSA-N 0 0 308.363 0.249 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NC[C@](C)(O)COC ZINC000382561212 417084877 /nfs/dbraw/zinc/08/48/77/417084877.db2.gz LBJNKPDXOKQXHN-ZDUSSCGKSA-N 0 0 302.396 0.794 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccnnc1 ZINC000616604087 417085318 /nfs/dbraw/zinc/08/53/18/417085318.db2.gz KHSFQBHDHUTNBL-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2cccc3nnccc32)C1 ZINC000616651204 417087130 /nfs/dbraw/zinc/08/71/30/417087130.db2.gz LOKIDBRHRPTEOA-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616629381 417087805 /nfs/dbraw/zinc/08/78/05/417087805.db2.gz JAURAWDUXZUMAP-SNVBAGLBSA-N 0 0 307.416 0.911 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(S(N)(=O)=O)CC1 ZINC000616631262 417088311 /nfs/dbraw/zinc/08/83/11/417088311.db2.gz VDUVINBMMVBJTQ-JTQLQIEISA-N 0 0 307.416 0.817 10 0 DCAERN CC(=O)C1(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 ZINC000632446437 417091664 /nfs/dbraw/zinc/09/16/64/417091664.db2.gz HOPATBQLPSCBJP-UHFFFAOYSA-N 0 0 314.363 0.690 10 0 DCAERN Nc1cccc([C@H]2c3ccccc3CCN2S(N)(=O)=O)n1 ZINC000616681143 417094243 /nfs/dbraw/zinc/09/42/43/417094243.db2.gz VKLGXEOWZYBIOF-CQSZACIVSA-N 0 0 304.375 0.815 10 0 DCAERN COC(=O)c1nc(N[C@@H]2CCN(S(C)(=O)=O)C2)sc1C ZINC000400320685 417109217 /nfs/dbraw/zinc/10/92/17/417109217.db2.gz YBRSDWDNHLZOFE-MRVPVSSYSA-N 0 0 319.408 0.684 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1nscc1Br ZINC000404720463 417121698 /nfs/dbraw/zinc/12/16/98/417121698.db2.gz DEHDDNFTFOQTOB-SECBINFHSA-N 0 0 307.169 0.787 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408004491 417133148 /nfs/dbraw/zinc/13/31/48/417133148.db2.gz XXEHQNPGWJAQOS-VXGBXAGGSA-N 0 0 317.393 0.803 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)C[C@@H](C)S1=O ZINC000407990527 417134103 /nfs/dbraw/zinc/13/41/03/417134103.db2.gz LQTBFTGUYYUQAG-RKDXNWHRSA-N 0 0 312.395 0.230 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)Nc2n[nH]cc2Br)C1 ZINC000408069787 417135222 /nfs/dbraw/zinc/13/52/22/417135222.db2.gz DCUAVFHBGKPBPC-SSDOTTSWSA-N 0 0 301.144 0.979 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408074808 417140839 /nfs/dbraw/zinc/14/08/39/417140839.db2.gz WOWFCRBGFNIMLO-CMPLNLGQSA-N 0 0 308.300 0.913 10 0 DCAERN CC(=O)N(CCC(=O)N[C@H]1CCNC1=O)Cc1ccccc1 ZINC000616965081 417141397 /nfs/dbraw/zinc/14/13/97/417141397.db2.gz VBRIFEMIXKRRBT-AWEZNQCLSA-N 0 0 303.362 0.430 10 0 DCAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1 ZINC000616965934 417142658 /nfs/dbraw/zinc/14/26/58/417142658.db2.gz FOKVOOJUUXDZGW-WFASDCNBSA-N 0 0 318.373 0.980 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1Cc1nnc2n1CCCCC2 ZINC000408169487 417146162 /nfs/dbraw/zinc/14/61/62/417146162.db2.gz RIGGMQQISRZUGW-NSHDSACASA-N 0 0 313.427 0.257 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408202628 417146804 /nfs/dbraw/zinc/14/68/04/417146804.db2.gz JGUGNPHYTDVURS-LNLATYFQSA-N 0 0 308.300 0.817 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000408207753 417149069 /nfs/dbraw/zinc/14/90/69/417149069.db2.gz XUMVBTHOEIZXKP-SNVBAGLBSA-N 0 0 315.313 0.479 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCN(c3nc(N)ns3)CC2)C1(F)F ZINC000408233419 417149665 /nfs/dbraw/zinc/14/96/65/417149665.db2.gz UNRCKWBBAHHSIV-RQJHMYQMSA-N 0 0 303.338 0.670 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@H](CO)C2CCOCC2)n1 ZINC000568560301 417151298 /nfs/dbraw/zinc/15/12/98/417151298.db2.gz SCRJDNBCHUSXQP-LLVKDONJSA-N 0 0 311.386 0.942 10 0 DCAERN O=S1(=O)CCCN1[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408402057 417158629 /nfs/dbraw/zinc/15/86/29/417158629.db2.gz JRMRNAGSINNVHD-NXEZZACHSA-N 0 0 316.345 0.410 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000526057318 417177305 /nfs/dbraw/zinc/17/73/05/417177305.db2.gz OTQLJVBYCSPMDJ-CVEARBPZSA-N 0 0 315.373 0.640 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H]1C ZINC000568833631 417178896 /nfs/dbraw/zinc/17/88/96/417178896.db2.gz NITVOYQPSMJCII-IUCAKERBSA-N 0 0 304.393 0.363 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCCC(=O)OC)c1 ZINC000437791112 287364615 /nfs/dbraw/zinc/36/46/15/287364615.db2.gz XZBPUWMFDUUBDX-UHFFFAOYSA-N 0 0 315.351 0.279 10 0 DCAERN C[C@@H]1CN(C(=O)C2CC(C)(O)C2)CCN1C(=O)C1CC(C)(O)C1 ZINC000449973355 417188604 /nfs/dbraw/zinc/18/86/04/417188604.db2.gz QQLVEGORULCPRM-XLDYSFCISA-N 0 0 324.421 0.368 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C1CCC1 ZINC000617299384 417197380 /nfs/dbraw/zinc/19/73/80/417197380.db2.gz HNSNXPLQPLBJFS-VXGBXAGGSA-N 0 0 304.412 0.078 10 0 DCAERN CC1(C)CN(C(=O)c2cccc(C(N)=O)n2)C[C@@]2(CCOC2)O1 ZINC000527026516 417202518 /nfs/dbraw/zinc/20/25/18/417202518.db2.gz DIUMRPLWEQSGSS-MRXNPFEDSA-N 0 0 319.361 0.591 10 0 DCAERN CO[C@H](C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000620721363 417268253 /nfs/dbraw/zinc/26/82/53/417268253.db2.gz BXOVKNKJSXQIGV-GDBMZVCRSA-N 0 0 305.422 0.954 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000438415535 287369918 /nfs/dbraw/zinc/36/99/18/287369918.db2.gz AKLWXTTYQGQOMX-LLVKDONJSA-N 0 0 302.334 0.931 10 0 DCAERN C[C@H](O)CCN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581312 417240238 /nfs/dbraw/zinc/24/02/38/417240238.db2.gz DXBCICWFFKFBNP-STQMWFEESA-N 0 0 318.373 0.754 10 0 DCAERN CO[C@@H](Cc1ccccc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000450588724 417243678 /nfs/dbraw/zinc/24/36/78/417243678.db2.gz WEAHFDIHRCHENG-CVEARBPZSA-N 0 0 304.390 0.787 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000451503699 417355645 /nfs/dbraw/zinc/35/56/45/417355645.db2.gz RDJIGAPOJBKJLB-OLZOCXBDSA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2nnnn2C2CC2)CC12COC2 ZINC000451125740 417302737 /nfs/dbraw/zinc/30/27/37/417302737.db2.gz NZSLOUKMUJURQP-NSHDSACASA-N 0 0 307.354 0.020 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2nc(C3CC3)no2)CC12COC2 ZINC000451129586 417303969 /nfs/dbraw/zinc/30/39/69/417303969.db2.gz CYUDGCQUPFWCND-NSHDSACASA-N 0 0 307.350 0.959 10 0 DCAERN Cn1nccc1COCC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000570062582 417309077 /nfs/dbraw/zinc/30/90/77/417309077.db2.gz PJBODUVGNAOYAN-JTQLQIEISA-N 0 0 320.315 0.690 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)C2CC2)CC1 ZINC000451250790 417326478 /nfs/dbraw/zinc/32/64/78/417326478.db2.gz XVYSZXYUWBECDN-UWVGGRQHSA-N 0 0 324.377 0.318 10 0 DCAERN Cc1nnc(N2CCC[C@H]2C(=O)N(C)C)n1C[C@@H]1CCCO1 ZINC000528347765 417327019 /nfs/dbraw/zinc/32/70/19/417327019.db2.gz DCTDSUAGZZFSTO-STQMWFEESA-N 0 0 307.398 0.823 10 0 DCAERN C[C@](O)(CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781280 417392269 /nfs/dbraw/zinc/39/22/69/417392269.db2.gz LRHWLDLREQURLS-UTLUCORTSA-N 0 0 301.330 0.951 10 0 DCAERN Cc1cn2nc(N[C@H]3CCN(C(=O)c4ccon4)C3)ccc2n1 ZINC000570833887 417396253 /nfs/dbraw/zinc/39/62/53/417396253.db2.gz JTKSKVPCMIZRLB-NSHDSACASA-N 0 0 312.333 1.352 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1Cc1cn(CC2CC2)nn1 ZINC000643830000 417396644 /nfs/dbraw/zinc/39/66/44/417396644.db2.gz UZFAAXKVKBFVOV-OAHLLOKOSA-N 0 0 307.398 0.415 10 0 DCAERN Cn1cnnc1CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000571026975 417415801 /nfs/dbraw/zinc/41/58/01/417415801.db2.gz DNMKUCYLPMEKNB-UHFFFAOYSA-N 0 0 300.322 0.874 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000633840910 417494233 /nfs/dbraw/zinc/49/42/33/417494233.db2.gz GKHZHXZETHGHDC-GRYCIOLGSA-N 0 0 304.412 0.078 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000633463315 417434599 /nfs/dbraw/zinc/43/45/99/417434599.db2.gz PSFJVCBWQROXNZ-ZDUSSCGKSA-N 0 0 312.410 0.681 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)s1 ZINC000439199900 287383531 /nfs/dbraw/zinc/38/35/31/287383531.db2.gz PCKANMIKPQFANH-MRVPVSSYSA-N 0 0 310.379 0.299 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)n2cccn2)CC12COC2 ZINC000452232450 417459786 /nfs/dbraw/zinc/45/97/86/417459786.db2.gz WNVGTKBKPCCJPJ-VXGBXAGGSA-N 0 0 307.350 0.482 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(C)noc2C)CC12COC2 ZINC000452233189 417461994 /nfs/dbraw/zinc/46/19/94/417461994.db2.gz YPGFBJQXRKNLST-LLVKDONJSA-N 0 0 308.334 0.943 10 0 DCAERN CNc1ccc(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)cn1 ZINC000644121307 417475318 /nfs/dbraw/zinc/47/53/18/417475318.db2.gz GDUUXNDSLSHJQN-NEPJUHHUSA-N 0 0 301.350 1.449 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000623051589 417532261 /nfs/dbraw/zinc/53/22/61/417532261.db2.gz BKUIJHMVTCWVBV-UHFFFAOYSA-N 0 0 323.374 0.502 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@H]2CC(=O)N(CC)C2)s1 ZINC000453933556 417538158 /nfs/dbraw/zinc/53/81/58/417538158.db2.gz PTNHUVXXLJIYJM-VIFPVBQESA-N 0 0 324.406 0.689 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3)no2)CCCC1 ZINC000454075311 417545661 /nfs/dbraw/zinc/54/56/61/417545661.db2.gz YJDYNIAVVXZRBG-MGCOHNPYSA-N 0 0 307.350 1.084 10 0 DCAERN CCN1CCCN(CCn2nc3ccccn3c2=O)CC1=O ZINC000575800852 417549935 /nfs/dbraw/zinc/54/99/35/417549935.db2.gz AYZYSXBKTWRXRU-UHFFFAOYSA-N 0 0 303.366 0.050 10 0 DCAERN Cc1cc(C(=O)NCc2nnnn2C)c(C)n1[C@@H]1CCOC1 ZINC000530269140 417560493 /nfs/dbraw/zinc/56/04/93/417560493.db2.gz SHNPATMAODNIRK-LLVKDONJSA-N 0 0 304.354 0.520 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)C1 ZINC000623002775 417523512 /nfs/dbraw/zinc/52/35/12/417523512.db2.gz ATLHPHYOIFZKFU-AWEZNQCLSA-N 0 0 322.386 0.251 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000644451101 417582684 /nfs/dbraw/zinc/58/26/84/417582684.db2.gz IOIOJUHQWUJZGT-ZDUSSCGKSA-N 0 0 319.361 0.045 10 0 DCAERN O=C(NCC[C@@H]1CCOC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000576135563 417583357 /nfs/dbraw/zinc/58/33/57/417583357.db2.gz KJHORUBMJWOTDU-KGLIPLIRSA-N 0 0 309.410 0.226 10 0 DCAERN CC(=O)N1CCC[C@H](CNc2ccnc(N3CCOCC3)n2)C1 ZINC000530537999 417583681 /nfs/dbraw/zinc/58/36/81/417583681.db2.gz WBAYGSRLGVYVSD-CQSZACIVSA-N 0 0 319.409 0.984 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](CC)OC)CC12COC2 ZINC000454971777 417586810 /nfs/dbraw/zinc/58/68/10/417586810.db2.gz AKHKXMALZRGYAU-NEPJUHHUSA-N 0 0 314.382 0.633 10 0 DCAERN Cc1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)nn1C(C)C ZINC000644500860 417603140 /nfs/dbraw/zinc/60/31/40/417603140.db2.gz BQZGJEJMPXKEOD-GFCCVEGCSA-N 0 0 308.382 1.084 10 0 DCAERN CCN1C[C@H](NC(=O)NCC(=O)NC2CCCCC2)CC1=O ZINC000455426343 417603408 /nfs/dbraw/zinc/60/34/08/417603408.db2.gz ZDDNQNOFQRBZRU-GFCCVEGCSA-N 0 0 310.398 0.355 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@]2(CCOC2)O1 ZINC000530314210 417566864 /nfs/dbraw/zinc/56/68/64/417566864.db2.gz REXVCMVVOCUPIQ-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H](C)[C@@H](C)OC ZINC000576039353 417573271 /nfs/dbraw/zinc/57/32/71/417573271.db2.gz UNUQZQUPMWVFTN-FDYHWXHSSA-N 0 0 304.387 0.530 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000440183477 287393640 /nfs/dbraw/zinc/39/36/40/287393640.db2.gz GJPKOGHJRNPZJZ-JTQLQIEISA-N 0 0 321.381 0.103 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)N3CCC34CCC4)C2=O)cn1 ZINC000531439334 417624141 /nfs/dbraw/zinc/62/41/41/417624141.db2.gz ZFHCDJWWWIIPGD-GFCCVEGCSA-N 0 0 303.366 0.863 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)C(F)F)cc1 ZINC000635269995 417624692 /nfs/dbraw/zinc/62/46/92/417624692.db2.gz LTXVYOMKYACULE-NSHDSACASA-N 0 0 314.288 0.960 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000531610948 417629453 /nfs/dbraw/zinc/62/94/53/417629453.db2.gz NTZHXSOZJLRUPC-JQWIXIFHSA-N 0 0 318.443 0.355 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2cc(C)cn(C)c2=O)C1 ZINC000532533574 417682684 /nfs/dbraw/zinc/68/26/84/417682684.db2.gz WSOTYSZTMMBPHM-LLVKDONJSA-N 0 0 321.381 0.619 10 0 DCAERN COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000531867254 417643883 /nfs/dbraw/zinc/64/38/83/417643883.db2.gz LWLMGIDVZIIDOS-MRXNPFEDSA-N 0 0 322.361 0.464 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000296829064 226548890 /nfs/dbraw/zinc/54/88/90/226548890.db2.gz HNIZJWXAZUKJKW-MWLCHTKSSA-N 0 0 307.375 0.830 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccccn2)CC12COC2 ZINC000457389649 417707380 /nfs/dbraw/zinc/70/73/80/417707380.db2.gz RFDMMWSQZQDWLU-ZDUSSCGKSA-N 0 0 319.361 0.803 10 0 DCAERN COc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccc1Cl ZINC000458135567 417723584 /nfs/dbraw/zinc/72/35/84/417723584.db2.gz KAYZQYBKIGNNOR-JTQLQIEISA-N 0 0 310.741 0.731 10 0 DCAERN CC(C)c1cccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458126141 417724156 /nfs/dbraw/zinc/72/41/56/417724156.db2.gz BQBHWYSTYVFLQS-CQSZACIVSA-N 0 0 318.377 0.958 10 0 DCAERN C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148688 417724930 /nfs/dbraw/zinc/72/49/30/417724930.db2.gz TZMQBGOEFQUUAZ-BXUZGUMPSA-N 0 0 306.341 0.773 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000629141429 417746825 /nfs/dbraw/zinc/74/68/25/417746825.db2.gz VANAPFOWVHKKQM-VHSXEESVSA-N 0 0 316.404 0.693 10 0 DCAERN COCCS(=O)(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000261822137 292609122 /nfs/dbraw/zinc/60/91/22/292609122.db2.gz YADDOXZFVRLGCX-ZDUSSCGKSA-N 0 0 314.407 0.618 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@H]2C)o1 ZINC000487384248 287535624 /nfs/dbraw/zinc/53/56/24/287535624.db2.gz ZCVNHUIBWAETJH-ZJUUUORDSA-N 0 0 317.363 0.848 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000487096004 287531827 /nfs/dbraw/zinc/53/18/27/287531827.db2.gz MOJLTUNHTDBFEP-MNOVXSKESA-N 0 0 324.352 0.941 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC000487135655 287533118 /nfs/dbraw/zinc/53/31/18/287533118.db2.gz WLYFYDUYZXENTA-DTWKUNHWSA-N 0 0 310.354 0.158 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ncccc1CC ZINC000488268479 287548215 /nfs/dbraw/zinc/54/82/15/287548215.db2.gz XCEZORRCOQQBGQ-MNOVXSKESA-N 0 0 321.377 0.830 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000174001119 299847999 /nfs/dbraw/zinc/84/79/99/299847999.db2.gz IQPMREJRBKJFDJ-KBPBESRZSA-N 0 0 317.455 0.370 10 0 DCAERN COc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1CO ZINC000494808103 287581142 /nfs/dbraw/zinc/58/11/42/287581142.db2.gz KXJYLJWPVSFBNS-UHFFFAOYSA-N 0 0 307.306 0.020 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)CC2)cs1 ZINC000299524762 229181024 /nfs/dbraw/zinc/18/10/24/229181024.db2.gz XHXHMSJSPMYBQP-UHFFFAOYSA-N 0 0 315.420 0.316 10 0 DCAERN C[C@H](NC(=O)CN1CCC([C@@H](O)C(N)=O)CC1)c1ccccc1 ZINC000299749931 229393994 /nfs/dbraw/zinc/39/39/94/229393994.db2.gz MDCHZIFXMLJZST-BLLLJJGKSA-N 0 0 319.405 0.422 10 0 DCAERN C[C@H](C(=O)N1CCNC(=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111584545 261108611 /nfs/dbraw/zinc/10/86/11/261108611.db2.gz FOEYRDVPPVZVPY-CYBMUJFWSA-N 0 0 301.390 0.782 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCOC1 ZINC000179363230 261113119 /nfs/dbraw/zinc/11/31/19/261113119.db2.gz LBULTXHWQGFKDV-YPMHNXCESA-N 0 0 316.361 0.873 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)[C@@H](C)COC)CC[S@]1=O ZINC000184305527 261118605 /nfs/dbraw/zinc/11/86/05/261118605.db2.gz YZMWHKWIRODPLR-BBATYDOGSA-N 0 0 311.469 0.974 10 0 DCAERN Cc1ccc(CCC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000187292472 261123625 /nfs/dbraw/zinc/12/36/25/261123625.db2.gz NJDDEANUMXQLKH-UHFFFAOYSA-N 0 0 310.419 0.935 10 0 DCAERN Cc1cc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc(C)c1O ZINC000188750687 261130306 /nfs/dbraw/zinc/13/03/06/261130306.db2.gz ZCXITXGFTODTKI-NSHDSACASA-N 0 0 314.407 0.605 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@H](CO)C2)cc1F ZINC000189609277 261132583 /nfs/dbraw/zinc/13/25/83/261132583.db2.gz LEDXNPHHSOVCFB-GWCFXTLKSA-N 0 0 324.352 0.935 10 0 DCAERN CCOC(=O)[C@@H](CC)N(C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000190688494 261135200 /nfs/dbraw/zinc/13/52/00/261135200.db2.gz WMMVFQZZOYOLBT-ZIAGYGMSSA-N 0 0 312.410 0.776 10 0 DCAERN CCc1nc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)sc1C ZINC000193001171 261140682 /nfs/dbraw/zinc/14/06/82/261140682.db2.gz PPMIEHQCBQNAIN-VIFPVBQESA-N 0 0 324.406 0.689 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000193142922 261140939 /nfs/dbraw/zinc/14/09/39/261140939.db2.gz AQSRUTUTOWFXBI-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)c1cn[nH]n1)Cc1ccccc1 ZINC000195063502 261150396 /nfs/dbraw/zinc/15/03/96/261150396.db2.gz BLTSAWVUIFFGGR-GFCCVEGCSA-N 0 0 302.334 0.957 10 0 DCAERN CC(C)CCOCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195236269 261151555 /nfs/dbraw/zinc/15/15/55/261151555.db2.gz FDYPSAPVDORMQU-BETUJISGSA-N 0 0 308.444 0.993 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000228063227 261153312 /nfs/dbraw/zinc/15/33/12/261153312.db2.gz AYZXTGIJWLMQOK-MRVPVSSYSA-N 0 0 307.803 0.855 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@](C)(O)C1 ZINC000234605812 261155058 /nfs/dbraw/zinc/15/50/58/261155058.db2.gz FBEOTXCJXLPLGL-NQBHXWOUSA-N 0 0 305.396 0.505 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000234608319 261155151 /nfs/dbraw/zinc/15/51/51/261155151.db2.gz RWINOWUCXIYQMB-CHWSQXEVSA-N 0 0 316.423 0.438 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)N2CCc3ccccc3C2)CC1 ZINC000242759259 261165806 /nfs/dbraw/zinc/16/58/06/261165806.db2.gz DLLNRCHOTQJARP-UHFFFAOYSA-N 0 0 323.418 0.742 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000250092265 261166804 /nfs/dbraw/zinc/16/68/04/261166804.db2.gz QJDSOMHYJXEEAH-MELADBBJSA-N 0 0 312.410 0.491 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000316855135 261175561 /nfs/dbraw/zinc/17/55/61/261175561.db2.gz IDSIFYFXFLRQLM-FPMFFAJLSA-N 0 0 324.402 0.901 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000319228833 261177432 /nfs/dbraw/zinc/17/74/32/261177432.db2.gz REFGXKKAJQLYAE-ZIAGYGMSSA-N 0 0 322.386 0.788 10 0 DCAERN CCNC(=O)[C@H](NC(=O)c1cncc(-n2ccnn2)c1)C(C)C ZINC000354230148 261193566 /nfs/dbraw/zinc/19/35/66/261193566.db2.gz IONSDYHBTNJVPE-CYBMUJFWSA-N 0 0 316.365 0.553 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000354545340 261235034 /nfs/dbraw/zinc/23/50/34/261235034.db2.gz NQDHEAAOUQPGFH-LLVKDONJSA-N 0 0 303.405 0.742 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC(C)C2)c1 ZINC000356156478 261397753 /nfs/dbraw/zinc/39/77/53/261397753.db2.gz WWFQSPCWUSKTFF-UHFFFAOYSA-N 0 0 310.375 0.646 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1COCCN1CC(F)(F)F ZINC000356428523 261422493 /nfs/dbraw/zinc/42/24/93/261422493.db2.gz ZHZLXGRPBHMCST-MXWKQRLJSA-N 0 0 310.316 0.669 10 0 DCAERN NC(=O)[C@H](NC(=O)NCCc1cn[nH]c1)c1ccc(F)cc1 ZINC000358186625 261645375 /nfs/dbraw/zinc/64/53/75/261645375.db2.gz NXUZKYFVCPQEJK-GFCCVEGCSA-N 0 0 305.313 0.617 10 0 DCAERN NS(=O)(=O)c1ccccc1CNC(=O)NCCc1cn[nH]c1 ZINC000358202583 261647575 /nfs/dbraw/zinc/64/75/75/261647575.db2.gz WVCRMVILCLYNJH-UHFFFAOYSA-N 0 0 323.378 0.099 10 0 DCAERN COC(=O)[C@H](NCc1cccc(N2CCOCC2)n1)C1CC1 ZINC000358258453 261653783 /nfs/dbraw/zinc/65/37/83/261653783.db2.gz ARZBANPMZGODPO-OAHLLOKOSA-N 0 0 305.378 0.959 10 0 DCAERN O=C(CSCC(=O)N1CCCCC1)NC[C@H](CO)C1CC1 ZINC000358333059 261658786 /nfs/dbraw/zinc/65/87/86/261658786.db2.gz FNUGGQRZGBJTCZ-CYBMUJFWSA-N 0 0 314.451 0.867 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCCc2cnn(C)c2)no1 ZINC000358564445 261682742 /nfs/dbraw/zinc/68/27/42/261682742.db2.gz GRBIIRNRSCIEMR-JTQLQIEISA-N 0 0 322.369 0.943 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H](CO)C2CCOCC2)[nH]n1 ZINC000360247525 261814493 /nfs/dbraw/zinc/81/44/93/261814493.db2.gz ASXKKKNGMUANJD-HZMBPMFUSA-N 0 0 310.398 0.736 10 0 DCAERN O=C(NCCc1cn[nH]c1)N(CCCO)Cc1ccccn1 ZINC000360266797 261816071 /nfs/dbraw/zinc/81/60/71/261816071.db2.gz KDSXLUBDOPJUNK-UHFFFAOYSA-N 0 0 303.366 0.941 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360301230 261820941 /nfs/dbraw/zinc/82/09/41/261820941.db2.gz RGHVXPAGMFKQCM-UHFFFAOYSA-N 0 0 310.442 0.981 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@](C)(OC)C1CC1 ZINC000360464114 261834557 /nfs/dbraw/zinc/83/45/57/261834557.db2.gz BJQXWWLRSISZJP-AMJWSMQMSA-N 0 0 314.382 0.374 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCSC[C@H]2CCO)CCOC1 ZINC000360472162 261835198 /nfs/dbraw/zinc/83/51/98/261835198.db2.gz FASURFBJZSDKBK-DGCLKSJQSA-N 0 0 304.412 0.301 10 0 DCAERN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CC(=O)N(C)C2)c1 ZINC000360488379 261836963 /nfs/dbraw/zinc/83/69/63/261836963.db2.gz CEKGGSFAZPATIX-LLVKDONJSA-N 0 0 319.361 0.840 10 0 DCAERN CC(=O)Nc1ccc(OC[C@H](O)CN2CC(=O)N(C)C2)cc1 ZINC000360502859 261839959 /nfs/dbraw/zinc/83/99/59/261839959.db2.gz GSFLBRXBYYHKDG-CYBMUJFWSA-N 0 0 307.350 0.116 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H](CO)O1 ZINC000360697666 261863343 /nfs/dbraw/zinc/86/33/43/261863343.db2.gz AUUUMQNSSWAFHK-MFKMUULPSA-N 0 0 304.350 0.854 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)Cn1nc(C)cc1C ZINC000360741167 261868510 /nfs/dbraw/zinc/86/85/10/261868510.db2.gz RGDJQPVDDHTIKQ-OLZOCXBDSA-N 0 0 309.366 0.679 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000361104645 261896813 /nfs/dbraw/zinc/89/68/13/261896813.db2.gz QYUISSBAXOLLCA-OUCADQQQSA-N 0 0 314.407 0.362 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000361777009 261960206 /nfs/dbraw/zinc/96/02/06/261960206.db2.gz QSCPVHUIUDYPLA-RYUDHWBXSA-N 0 0 313.423 0.377 10 0 DCAERN COC[C@@](C)(NC(=O)c1cn(C)c(=O)[nH]c1=O)C(F)(F)F ZINC000362198862 262008619 /nfs/dbraw/zinc/00/86/19/262008619.db2.gz BESMHRUOEHFWIY-SNVBAGLBSA-N 0 0 309.244 0.183 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000362224246 262011871 /nfs/dbraw/zinc/01/18/71/262011871.db2.gz UTSHLFJHKIHIAH-YABSGUDNSA-N 0 0 317.345 0.369 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCOCC[C@H]1C ZINC000362234705 262013152 /nfs/dbraw/zinc/01/31/52/262013152.db2.gz IPLZXCKGFCPPHH-CHWSQXEVSA-N 0 0 300.399 0.801 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccco1 ZINC000362463421 262037458 /nfs/dbraw/zinc/03/74/58/262037458.db2.gz HFCRYJYQWXNHPV-UWVGGRQHSA-N 0 0 311.338 0.535 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000362474187 262038891 /nfs/dbraw/zinc/03/88/91/262038891.db2.gz RDQUMNITPGQPCT-RKDXNWHRSA-N 0 0 303.318 0.805 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000363561374 262120428 /nfs/dbraw/zinc/12/04/28/262120428.db2.gz YLQPBCGARPJPTJ-YFKTTZPYSA-N 0 0 312.366 0.383 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCN4CCOC[C@@H]4C3)nc12 ZINC000363794079 262129869 /nfs/dbraw/zinc/12/98/69/262129869.db2.gz KJKTXCBYOCSXLA-HNNXBMFYSA-N 0 0 314.389 0.519 10 0 DCAERN COc1ccc(NC(=O)CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000363791413 262130113 /nfs/dbraw/zinc/13/01/13/262130113.db2.gz COZCTPDQBCHQHH-AWEZNQCLSA-N 0 0 305.378 0.650 10 0 DCAERN Cc1csc2nc(CN3CCN4CCOC[C@@H]4C3)cc(=O)n12 ZINC000363787814 262130413 /nfs/dbraw/zinc/13/04/13/262130413.db2.gz AWKWZKCOEXJZPP-ZDUSSCGKSA-N 0 0 320.418 0.581 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN2CCOC[C@@H]2C1 ZINC000363791080 262130499 /nfs/dbraw/zinc/13/04/99/262130499.db2.gz CIBPAFCFHKNACR-NEPJUHHUSA-N 0 0 312.414 0.016 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCN2CCOC[C@H]2C1 ZINC000363796480 262131322 /nfs/dbraw/zinc/13/13/22/262131322.db2.gz RJLAUIYIJZQROJ-MRXNPFEDSA-N 0 0 321.396 0.801 10 0 DCAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363861459 262134820 /nfs/dbraw/zinc/13/48/20/262134820.db2.gz WSWPBVXRYILKND-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)Nc1nc(C)cs1 ZINC000370410591 262145877 /nfs/dbraw/zinc/14/58/77/262145877.db2.gz PWKUABLSAGSHPD-MWLCHTKSSA-N 0 0 313.379 0.388 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000412954107 262197723 /nfs/dbraw/zinc/19/77/23/262197723.db2.gz RUTIOVWMXXATBF-AWEZNQCLSA-N 0 0 305.353 0.999 10 0 DCAERN CCCn1c(=O)[nH]nc1SCCn1nc2ccccn2c1=O ZINC000358873688 271075375 /nfs/dbraw/zinc/07/53/75/271075375.db2.gz ODYBRQJIKIQVHR-UHFFFAOYSA-N 0 0 320.378 0.995 10 0 DCAERN COc1cccc(O[C@H](C)CNC(=O)C(=O)N(C)CCCO)c1 ZINC000359104764 271094701 /nfs/dbraw/zinc/09/47/01/271094701.db2.gz VHIQIKAUSSQOSL-GFCCVEGCSA-N 0 0 324.377 0.420 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000359393900 271113894 /nfs/dbraw/zinc/11/38/94/271113894.db2.gz XIOSGZORRBXXPW-YGRLFVJLSA-N 0 0 319.361 0.447 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359604113 271131477 /nfs/dbraw/zinc/13/14/77/271131477.db2.gz WFBFNMUOCDOLGQ-ZIAGYGMSSA-N 0 0 310.394 0.507 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359611384 271132240 /nfs/dbraw/zinc/13/22/40/271132240.db2.gz PFMGRJOSIJMRDT-WFASDCNBSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H](CO)CS(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275983 271177176 /nfs/dbraw/zinc/17/71/76/271177176.db2.gz SVDXYFHEDOXAIP-VIFPVBQESA-N 0 0 315.347 0.397 10 0 DCAERN COC[C@@H](O)CN1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000361465433 271181490 /nfs/dbraw/zinc/18/14/90/271181490.db2.gz RCFVZJOKWINFEH-SWLSCSKDSA-N 0 0 318.377 0.123 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@@H](COC)OC)no1 ZINC000442646861 271674396 /nfs/dbraw/zinc/67/43/96/271674396.db2.gz IGVHAXPYZOPSOL-VIFPVBQESA-N 0 0 300.359 0.828 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCOCCOC)CC12COC2 ZINC000452270693 271913246 /nfs/dbraw/zinc/91/32/46/271913246.db2.gz ZRZRRFXBYRDVTN-LBPRGKRZSA-N 0 0 315.366 0.078 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCCOC2)CC12COC2 ZINC000452265773 271913318 /nfs/dbraw/zinc/91/33/18/271913318.db2.gz RAOCFRKQBIGQJC-DOMZBBRYSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)c2ccc[nH]2)CC12COC2 ZINC000454277825 271935431 /nfs/dbraw/zinc/93/54/31/271935431.db2.gz ZCXWNZCBMHTGLO-JTQLQIEISA-N 0 0 306.318 0.236 10 0 DCAERN CS[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458125536 271943218 /nfs/dbraw/zinc/94/32/18/271943218.db2.gz BNAJCUOZKOJSKV-OLZOCXBDSA-N 0 0 306.391 0.860 10 0 DCAERN Cc1ccc(-c2cc(C(=O)NC[C@H](O)Cn3ccnn3)[nH]n2)o1 ZINC000458131484 271943820 /nfs/dbraw/zinc/94/38/20/271943820.db2.gz GLJUDRUFUWFAPD-JTQLQIEISA-N 0 0 316.321 0.361 10 0 DCAERN C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000460021664 272025170 /nfs/dbraw/zinc/02/51/70/272025170.db2.gz OMCWTZJMRFXZKR-CABZTGNLSA-N 0 0 324.299 0.150 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CC[C@H](OC)C2)C1=O ZINC000471675198 272029628 /nfs/dbraw/zinc/02/96/28/272029628.db2.gz BHFUBSZBIKZAHW-MNOVXSKESA-N 0 0 311.382 0.781 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CC(F)(F)C1 ZINC000487108540 272037897 /nfs/dbraw/zinc/03/78/97/272037897.db2.gz GELWRAMRNFQKEH-YUMQZZPRSA-N 0 0 306.309 0.604 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCCO1 ZINC000487168151 272039176 /nfs/dbraw/zinc/03/91/76/272039176.db2.gz VBRZRPGIUMEDDN-GARJFASQSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC(C)C ZINC000487367381 272040359 /nfs/dbraw/zinc/04/03/59/272040359.db2.gz MUDZAZRHXWKVHX-GHMZBOCLSA-N 0 0 322.427 0.408 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnns1 ZINC000488719155 272048491 /nfs/dbraw/zinc/04/84/91/272048491.db2.gz YYYXWTMERIJDFR-NKWVEPMBSA-N 0 0 315.355 0.116 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)CC1CC1 ZINC000489582029 272064089 /nfs/dbraw/zinc/06/40/89/272064089.db2.gz UBVIYVRBGORIGP-PWSUYJOCSA-N 0 0 303.428 0.898 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)c1 ZINC000490050034 272068636 /nfs/dbraw/zinc/06/86/36/272068636.db2.gz PLBPZFWJLIOHDI-JTQLQIEISA-N 0 0 315.333 0.624 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C ZINC000492315490 272122627 /nfs/dbraw/zinc/12/26/27/272122627.db2.gz XNVRAFHMYWBBLV-RKDXNWHRSA-N 0 0 304.334 0.961 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000494445838 272222389 /nfs/dbraw/zinc/22/23/89/272222389.db2.gz KXWWXLHWBCMTKQ-ZDUSSCGKSA-N 0 0 313.442 0.716 10 0 DCAERN COC(=O)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC1 ZINC000507229336 272394535 /nfs/dbraw/zinc/39/45/35/272394535.db2.gz LPQIPPPKRMTKTQ-HUORLRHWSA-N 0 0 323.437 0.611 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000513376011 272398768 /nfs/dbraw/zinc/39/87/68/272398768.db2.gz FTQAONZWYUAUPL-IHRRRGAJSA-N 0 0 309.410 0.761 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCn3nncc3C2)cn1 ZINC000516088776 272429616 /nfs/dbraw/zinc/42/96/16/272429616.db2.gz PKMYFRRAPFUHQT-UHFFFAOYSA-N 0 0 309.351 0.276 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C1 ZINC000516638242 272441173 /nfs/dbraw/zinc/44/11/73/272441173.db2.gz BTURYMSHZNPFMO-RDBSUJKOSA-N 0 0 323.418 0.876 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000526061854 272589577 /nfs/dbraw/zinc/58/95/77/272589577.db2.gz JBAOOGSKQZUQHH-YUMQZZPRSA-N 0 0 306.409 0.478 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000530460675 272742175 /nfs/dbraw/zinc/74/21/75/272742175.db2.gz FQHZTBHLEUJCDV-UTUOFQBUSA-N 0 0 319.427 0.277 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N(C)Cc3nnnn3C)c12 ZINC000532322440 272784762 /nfs/dbraw/zinc/78/47/62/272784762.db2.gz CXFCXYWPYUCNSW-UHFFFAOYSA-N 0 0 301.310 0.635 10 0 DCAERN CN(Cc1cnccn1)C(=O)c1cc(N2CCOCC2)ccn1 ZINC000526131887 287689284 /nfs/dbraw/zinc/68/92/84/287689284.db2.gz OYHFVSJFFFYMBX-UHFFFAOYSA-N 0 0 313.361 0.980 10 0 DCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)NCC3COC3)cc21 ZINC000528565968 287720333 /nfs/dbraw/zinc/72/03/33/287720333.db2.gz XZDGCSWSECBFEL-UHFFFAOYSA-N 0 0 324.402 0.910 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000534224258 287806367 /nfs/dbraw/zinc/80/63/67/287806367.db2.gz NOFVYTYYXDTUJU-GFCCVEGCSA-N 0 0 304.350 0.574 10 0 DCAERN CCn1nc(C)c(CNC(=O)N2CC[C@H](NC(N)=O)C2)c1C ZINC000534224551 287806414 /nfs/dbraw/zinc/80/64/14/287806414.db2.gz LLNPOTNHNFEMQI-NSHDSACASA-N 0 0 308.386 0.472 10 0 DCAERN Cn1nncc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000538517941 287879530 /nfs/dbraw/zinc/87/95/30/287879530.db2.gz DDDFFFPFERMVAD-LBPRGKRZSA-N 0 0 317.374 0.969 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2ncccc2C)CC1 ZINC000181714396 276596092 /nfs/dbraw/zinc/59/60/92/276596092.db2.gz MMRVMDBHIKNBSX-AWEZNQCLSA-N 0 0 306.410 0.988 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCOC[C@@H]2c2cccn2C)C1 ZINC000408055284 277006309 /nfs/dbraw/zinc/00/63/09/277006309.db2.gz SIBPZTCCSSLRFC-DZGCQCFKSA-N 0 0 305.378 0.793 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000408074708 277224439 /nfs/dbraw/zinc/22/44/39/277224439.db2.gz VKYYOHDMMWAYIV-DZGCQCFKSA-N 0 0 311.426 0.567 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@@H]1C ZINC000191310695 277297508 /nfs/dbraw/zinc/29/75/08/277297508.db2.gz MGLZAKIMJWZOJH-CMPLNLGQSA-N 0 0 307.350 0.207 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000330247649 287960815 /nfs/dbraw/zinc/96/08/15/287960815.db2.gz LVPPNLHISKMYOL-RTWAVKEYSA-N 0 0 320.393 0.575 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@]3(CCCOC3)C2)C1 ZINC000408052353 278017758 /nfs/dbraw/zinc/01/77/58/278017758.db2.gz LGFBETAABOXHND-SJORKVTESA-N 0 0 324.421 0.779 10 0 DCAERN CC(=O)NC1(C(=O)N2CCN(CCO)[C@@H](C)C2)CCCCC1 ZINC000188751899 278080074 /nfs/dbraw/zinc/08/00/74/278080074.db2.gz MBCHKQNLQDAALD-ZDUSSCGKSA-N 0 0 311.426 0.350 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1nnc2n1CCCCC2 ZINC000547451850 288047556 /nfs/dbraw/zinc/04/75/56/288047556.db2.gz ICVPYVWTXSNDOW-GHMZBOCLSA-N 0 0 320.397 0.595 10 0 DCAERN C[C@H]1OCCN(Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1C(N)=O ZINC000294776624 278515948 /nfs/dbraw/zinc/51/59/48/278515948.db2.gz UBQTUJFSCANCDZ-OTYXRUKQSA-N 0 0 305.334 0.092 10 0 DCAERN CCC1(CC)CN(C(=O)c2cnns2)CCS1(=O)=O ZINC000408180548 278628816 /nfs/dbraw/zinc/62/88/16/278628816.db2.gz SCIQPFKRJGDWII-UHFFFAOYSA-N 0 0 303.409 0.968 10 0 DCAERN CCN1CCN(C(=O)c2cn3cccnc3n2)C(C)(C)C1=O ZINC000547663757 288066669 /nfs/dbraw/zinc/06/66/69/288066669.db2.gz OJOIXUHQXSFNDF-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN COCC1(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000547862216 288085309 /nfs/dbraw/zinc/08/53/09/288085309.db2.gz FQLUIKYNPSYKEQ-UHFFFAOYSA-N 0 0 320.393 0.896 10 0 DCAERN O=C(NC1CC1)c1noc([C@H]2CCCN2CCn2ccnc2)n1 ZINC000548025219 288103139 /nfs/dbraw/zinc/10/31/39/288103139.db2.gz ZFBJAKVTGYUTJX-GFCCVEGCSA-N 0 0 316.365 0.995 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2ccn(Cc3ccccc3)n2)C1 ZINC000548135116 288115326 /nfs/dbraw/zinc/11/53/26/288115326.db2.gz FLAUKJDDZDZTHR-ZDUSSCGKSA-N 0 0 313.361 0.814 10 0 DCAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784754 279308535 /nfs/dbraw/zinc/30/85/35/279308535.db2.gz CJQVWWQDWZBTFI-QMMMGPOBSA-N 0 0 306.149 0.658 10 0 DCAERN C[C@H](C(=O)NCc1cccc(N2CCOCC2)n1)n1cncn1 ZINC000548501471 288148872 /nfs/dbraw/zinc/14/88/72/288148872.db2.gz ATXLXQINCDZLRY-GFCCVEGCSA-N 0 0 316.365 0.387 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 ZINC000548582619 288157195 /nfs/dbraw/zinc/15/71/95/288157195.db2.gz ZQYLLPBUGTWIHS-YPMHNXCESA-N 0 0 320.349 0.280 10 0 DCAERN Cn1cc(OCC(=O)NC[C@H](O)COc2ccccc2)cn1 ZINC000548870293 288183274 /nfs/dbraw/zinc/18/32/74/288183274.db2.gz ATTOFQQWHBUQBG-LBPRGKRZSA-N 0 0 305.334 0.355 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CCSC[C@@H]1CCO ZINC000549039724 288190328 /nfs/dbraw/zinc/19/03/28/288190328.db2.gz QBHYHOVXGCEUQS-LBPRGKRZSA-N 0 0 319.390 0.602 10 0 DCAERN CCCN(C(=O)c1cccc2ncnn21)[C@H]1CC(=O)N(C)C1=O ZINC000549123173 288192794 /nfs/dbraw/zinc/19/27/94/288192794.db2.gz ZJLDPIDXIBJWQI-NSHDSACASA-N 0 0 315.333 0.339 10 0 DCAERN CCOCCCn1c(CC)nnc1N1CCN2CCOC[C@H]2C1 ZINC000549377781 288197326 /nfs/dbraw/zinc/19/73/26/288197326.db2.gz ORPBFKXFZHHLOC-CQSZACIVSA-N 0 0 323.441 0.788 10 0 DCAERN O=C1NC(=O)[C@@]2(CCCN(c3nc(C(F)(F)F)ns3)C2)N1 ZINC000367826697 280280234 /nfs/dbraw/zinc/28/02/34/280280234.db2.gz PJUUUABDVGGIFF-VIFPVBQESA-N 0 0 321.284 0.735 10 0 DCAERN O=C1[C@@H]2COCCN2C(=O)N1[C@@H]1CCN(c2ccccc2)C1 ZINC000272120734 280318223 /nfs/dbraw/zinc/31/82/23/280318223.db2.gz SENVPSMTTCGGSZ-KGLIPLIRSA-N 0 0 301.346 0.928 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000294164387 280340628 /nfs/dbraw/zinc/34/06/28/280340628.db2.gz PGZYNBSJUBFIQA-NXEZZACHSA-N 0 0 316.361 0.421 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408459136 280363397 /nfs/dbraw/zinc/36/33/97/280363397.db2.gz XBIADCJSORRLEI-WOPDTQHZSA-N 0 0 304.412 0.340 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000551873128 288239227 /nfs/dbraw/zinc/23/92/27/288239227.db2.gz KMJJHTKHOSSXQC-SNVBAGLBSA-N 0 0 301.293 0.630 10 0 DCAERN CC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@]2(CCOC2)O1 ZINC000408326129 288258881 /nfs/dbraw/zinc/25/88/81/288258881.db2.gz JDHYVDBBSOVJLB-JSGCOSHPSA-N 0 0 319.423 0.606 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCNC(=O)CC1 ZINC000552445445 288275369 /nfs/dbraw/zinc/27/53/69/288275369.db2.gz RUXKYVBLDJSPRV-HNNXBMFYSA-N 0 0 315.373 0.308 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ncsc1Br ZINC000553197825 288290520 /nfs/dbraw/zinc/29/05/20/288290520.db2.gz FPLNJWSHHSKUHW-SCSAIBSYSA-N 0 0 318.152 0.441 10 0 DCAERN CC[C@H]1CN(c2ccc(C(=O)NC)nn2)C[C@@H](C)S1(=O)=O ZINC000286469021 281177003 /nfs/dbraw/zinc/17/70/03/281177003.db2.gz PYRRQXQLRRDCSQ-ZJUUUORDSA-N 0 0 312.395 0.238 10 0 DCAERN CC1(C)CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000366169508 281215262 /nfs/dbraw/zinc/21/52/62/281215262.db2.gz IJTZXMPFADDXCS-VXGBXAGGSA-N 0 0 312.435 0.917 10 0 DCAERN CNC(=O)c1sc2[nH]c(-c3cnc(N)cn3)nc(=O)c2c1C ZINC000554521893 288325880 /nfs/dbraw/zinc/32/58/80/288325880.db2.gz XOMCAPPOHZKFFM-UHFFFAOYSA-N 0 0 316.346 0.692 10 0 DCAERN Cn1cc(OCC(=O)N2CCSC[C@@H]2c2cnn(C)c2)cn1 ZINC000554529647 288326603 /nfs/dbraw/zinc/32/66/03/288326603.db2.gz LWZJYHKIXMLCCF-CYBMUJFWSA-N 0 0 321.406 0.849 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)[nH]c1=O)CC2 ZINC000114865610 281529132 /nfs/dbraw/zinc/52/91/32/281529132.db2.gz TVPJTJMSOBEPOC-SNVBAGLBSA-N 0 0 301.350 0.582 10 0 DCAERN CCOCc1nnc(N2CCN3CCOC[C@H]3C2)n1CC(C)C ZINC000555354562 288349941 /nfs/dbraw/zinc/34/99/41/288349941.db2.gz XASBSVPPUYTTLO-CQSZACIVSA-N 0 0 323.441 0.991 10 0 DCAERN COc1ccccc1OCCNC(=O)C(=O)N(C)CCCO ZINC000555656080 288359555 /nfs/dbraw/zinc/35/95/55/288359555.db2.gz PCVFUWRUAQUVGP-UHFFFAOYSA-N 0 0 310.350 0.031 10 0 DCAERN O=C1[C@H](N2CCn3nnc(CO)c3C2)CCN1c1ccccc1 ZINC000555878885 288364255 /nfs/dbraw/zinc/36/42/55/288364255.db2.gz PXASOWUYBCWKSL-CQSZACIVSA-N 0 0 313.361 0.392 10 0 DCAERN CC[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1N1CCOCC1 ZINC000556393094 288376033 /nfs/dbraw/zinc/37/60/33/288376033.db2.gz CDGUFNVBGPDBEW-JSGCOSHPSA-N 0 0 320.393 0.668 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000176800519 282017164 /nfs/dbraw/zinc/01/71/64/282017164.db2.gz FSODODPFSKZZII-UHFFFAOYSA-N 0 0 309.395 0.685 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc2ncnn21 ZINC000558332842 288439758 /nfs/dbraw/zinc/43/97/58/288439758.db2.gz JKGKDHBKFDGQHM-SNVBAGLBSA-N 0 0 305.363 0.333 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC(=O)N1 ZINC000408200965 288459902 /nfs/dbraw/zinc/45/99/02/288459902.db2.gz CKPDIGUFZDWRHW-UPJWGTAASA-N 0 0 317.393 0.476 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000560011223 288483761 /nfs/dbraw/zinc/48/37/61/288483761.db2.gz IKQMVYTYAUWEDG-MNOVXSKESA-N 0 0 320.411 0.209 10 0 DCAERN Cc1cc(CCNC(=O)N2CC(=O)N(CC(F)(F)F)C2)on1 ZINC000561954797 288554293 /nfs/dbraw/zinc/55/42/93/288554293.db2.gz GXCIMFUQHLBOHG-UHFFFAOYSA-N 0 0 320.271 0.899 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@](C)(O)CC2)CC1=O ZINC000369623888 288592348 /nfs/dbraw/zinc/59/23/48/288592348.db2.gz UZNZIHVDQGPENP-DVZHBHJUSA-N 0 0 309.410 0.942 10 0 DCAERN C[C@@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCCO1 ZINC000562863120 288604837 /nfs/dbraw/zinc/60/48/37/288604837.db2.gz WKGZYXKJJXGHSW-HNNXBMFYSA-N 0 0 302.334 0.958 10 0 DCAERN NC(=O)C1(C(=O)N2CCO[C@@H](COc3ccccc3)C2)CCC1 ZINC000563804779 288704834 /nfs/dbraw/zinc/70/48/34/288704834.db2.gz VGFVFHYCNLKNHT-CQSZACIVSA-N 0 0 318.373 0.948 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCC1(c2ccccn2)CCC1 ZINC000563987911 288720880 /nfs/dbraw/zinc/72/08/80/288720880.db2.gz ZIHSTISVYVXOHW-UHFFFAOYSA-N 0 0 315.381 0.868 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cncc(C(N)=O)n3)[C@@H]2C1 ZINC000565267976 288839964 /nfs/dbraw/zinc/83/99/64/288839964.db2.gz ZSQHNDALHZBHEW-QJPTWQEYSA-N 0 0 303.366 0.634 10 0 DCAERN C[C@@]1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C(=O)O1 ZINC000068258016 289131164 /nfs/dbraw/zinc/13/11/64/289131164.db2.gz MDERTUDTXQIIKH-INIZCTEOSA-N 0 0 302.330 0.507 10 0 DCAERN CN(CC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)S(C)(=O)=O ZINC000408132799 289467332 /nfs/dbraw/zinc/46/73/32/289467332.db2.gz LRKBAOXTOFZGKI-QWRGUYRKSA-N 0 0 306.428 0.133 10 0 DCAERN CN1CCC(=O)Nc2cc(C(=O)N3CCNC(=O)CC3)ccc21 ZINC000174591953 289868060 /nfs/dbraw/zinc/86/80/60/289868060.db2.gz NYLMOLCESGUEKB-UHFFFAOYSA-N 0 0 316.361 0.427 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000170921755 290108882 /nfs/dbraw/zinc/10/88/82/290108882.db2.gz GMYLUZYZOMDUMR-CYBMUJFWSA-N 0 0 312.414 0.019 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871417 290113252 /nfs/dbraw/zinc/11/32/52/290113252.db2.gz IJGWUARMUKIVII-STQMWFEESA-N 0 0 306.366 0.211 10 0 DCAERN CN1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)CC1=O ZINC000249062782 290297333 /nfs/dbraw/zinc/29/73/33/290297333.db2.gz RMLHYUULTDJZEK-AGIUHOORSA-N 0 0 312.435 0.978 10 0 DCAERN C[C@H]1C(=O)NCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000112697603 290311900 /nfs/dbraw/zinc/31/19/00/290311900.db2.gz FODOXXXRPPBTBO-VIFPVBQESA-N 0 0 308.407 0.781 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)N(C)C(C)C)[C@@H]2C1 ZINC000246243540 293799586 /nfs/dbraw/zinc/79/95/86/293799586.db2.gz GJICMLKXBOPYKL-JHJVBQTASA-N 0 0 306.428 0.840 10 0 DCAERN Cc1oc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1S(N)(=O)=O ZINC000408189332 294030311 /nfs/dbraw/zinc/03/03/11/294030311.db2.gz WNKDJCYKRBRQGM-GUBZILKMSA-N 0 0 314.363 0.078 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)C(C)(C)C)C[C@@H](C)O1 ZINC000178561383 297057807 /nfs/dbraw/zinc/05/78/07/297057807.db2.gz JRFUMPFRVTXMQX-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000375085678 294138820 /nfs/dbraw/zinc/13/88/20/294138820.db2.gz UCZKHXLSHBNDGY-VLXAULBPSA-N 0 0 312.410 0.630 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274472939 294549793 /nfs/dbraw/zinc/54/97/93/294549793.db2.gz ZOWKBMPBIIQQCI-BBRMVZONSA-N 0 0 320.393 0.998 10 0 DCAERN COc1cc2c(c(C)c1)NC(=O)[C@]21NC(=O)[C@H]2CSCCN21 ZINC000273347835 295029267 /nfs/dbraw/zinc/02/92/67/295029267.db2.gz PCQGCMAWSFMQLO-ABAIWWIYSA-N 0 0 319.386 0.656 10 0 DCAERN NC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000131383652 295118146 /nfs/dbraw/zinc/11/81/46/295118146.db2.gz XCPNHHVFPALQIF-VIFPVBQESA-N 0 0 322.745 0.354 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)ncc1Cl ZINC000129396339 295158804 /nfs/dbraw/zinc/15/88/04/295158804.db2.gz QWOFYNFIVSNDGZ-MRVPVSSYSA-N 0 0 304.133 0.715 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000408150734 297357910 /nfs/dbraw/zinc/35/79/10/297357910.db2.gz NNIPDFPCMYVRAJ-PHIMTYICSA-N 0 0 309.453 0.871 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CCO1 ZINC000333396679 297456720 /nfs/dbraw/zinc/45/67/20/297456720.db2.gz HZQXPTASEHNLID-FDYHWXHSSA-N 0 0 316.423 0.627 10 0 DCAERN C[C@H](C(=O)N1CCN2CCOC[C@H]2C1)n1nnnc1C(C)(C)C ZINC000371864664 298053790 /nfs/dbraw/zinc/05/37/90/298053790.db2.gz NCNIQDGZHCFGKG-VXGBXAGGSA-N 0 0 322.413 0.075 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1cccnc1N(C)C ZINC000193753955 299996610 /nfs/dbraw/zinc/99/66/10/299996610.db2.gz KUHCECRCCLPRQY-JQWIXIFHSA-N 0 0 305.382 0.471 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000332903368 300379274 /nfs/dbraw/zinc/37/92/74/300379274.db2.gz QUZXRCDJHOZFDE-QNWHQSFQSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000332879036 300380338 /nfs/dbraw/zinc/38/03/38/300380338.db2.gz BRTSETBTBXVQCV-DJIHRAIXSA-N 0 0 316.423 0.628 10 0 DCAERN C[C@H]1OCC[C@]12CN(S(=O)(=O)N1CCC[C@@H]1C)C[C@@H](C)O2 ZINC000375926871 300642632 /nfs/dbraw/zinc/64/26/32/300642632.db2.gz JLBZKVFOVGJCOP-DGAVXFQQSA-N 0 0 318.439 0.984 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CC(=O)N(C)C ZINC000408095202 302777612 /nfs/dbraw/zinc/77/76/12/302777612.db2.gz LZDCAVBGLIVOCC-GFCCVEGCSA-N 0 0 308.382 0.415 10 0 DCAERN Cn1cnnc1[C@H]1CCCN1C(=O)Cc1ccccc1C(N)=O ZINC000190996428 303038108 /nfs/dbraw/zinc/03/81/08/303038108.db2.gz XGQPHASLVIZSRO-CYBMUJFWSA-N 0 0 313.361 0.820 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000408382516 303049761 /nfs/dbraw/zinc/04/97/61/303049761.db2.gz DCVHDSRLGCARJO-UHFFFAOYSA-N 0 0 320.802 0.315 10 0 DCAERN Cn1nccc1[C@H]1[C@H](CNS(C)(=O)=O)CCCN1C1CC1 ZINC000343659386 303095970 /nfs/dbraw/zinc/09/59/70/303095970.db2.gz OMHVRFMNOQKBNN-SMDDNHRTSA-N 0 0 312.439 0.885 10 0 DCAERN NC(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190860462 303246757 /nfs/dbraw/zinc/24/67/57/303246757.db2.gz BEUHUFRGINSYSS-LBPRGKRZSA-N 0 0 322.340 0.101 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccncc1Br ZINC000286753173 303312380 /nfs/dbraw/zinc/31/23/80/303312380.db2.gz HSUUFJOBBIXDMT-MUWHJKNJSA-N 0 0 316.130 0.882 10 0 DCAERN O=C(CS(=O)(=O)[C@@H]1CCOC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000330135115 303635637 /nfs/dbraw/zinc/63/56/37/303635637.db2.gz MQGRHMMKAXSDQA-UPJWGTAASA-N 0 0 317.407 0.360 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCCC2(C1)OCCO2 ZINC000133988366 303896077 /nfs/dbraw/zinc/89/60/77/303896077.db2.gz WRFPWPLBEIRJAS-LLVKDONJSA-N 0 0 307.354 0.141 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccon1 ZINC000186191560 332917224 /nfs/dbraw/zinc/91/72/24/332917224.db2.gz XSFPEZZMUZUEBQ-JTQLQIEISA-N 0 0 308.338 0.473 10 0 DCAERN c1ccc(OC[C@@H]2CN(c3nccn4nnnc34)CCO2)cc1 ZINC000583415992 332394548 /nfs/dbraw/zinc/39/45/48/332394548.db2.gz RTSNYZCZMSWQPI-ZDUSSCGKSA-N 0 0 312.333 0.804 10 0 DCAERN CO[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@H]1C ZINC000187684797 332982530 /nfs/dbraw/zinc/98/25/30/332982530.db2.gz QQQORLFNSUDTNN-YPMHNXCESA-N 0 0 318.439 0.878 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)COCCCOC)C1 ZINC000180198824 333159649 /nfs/dbraw/zinc/15/96/49/333159649.db2.gz CEJNZZRAZBBOBC-ZDUSSCGKSA-N 0 0 300.399 0.947 10 0 DCAERN C=Cn1cc(CN2CCN(c3nccn(C)c3=O)CC2)cn1 ZINC000582825221 337204841 /nfs/dbraw/zinc/20/48/41/337204841.db2.gz APYKZIIGXFOJBB-UHFFFAOYSA-N 0 0 300.366 0.400 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)N1CCc2ccccc2C1 ZINC000584433665 337325440 /nfs/dbraw/zinc/32/54/40/337325440.db2.gz KXRRKCLEAVMKDO-UHFFFAOYSA-N 0 0 321.406 0.561 10 0 DCAERN NS(=O)(=O)c1cccc(-c2ccccn2)c1-c1nn[nH]n1 ZINC000584596969 337374302 /nfs/dbraw/zinc/37/43/02/337374302.db2.gz REVHKONLSLUULI-UHFFFAOYSA-N 0 0 302.319 0.576 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)NCCOCC1CCC1 ZINC000576203736 341832899 /nfs/dbraw/zinc/83/28/99/341832899.db2.gz HICGDJQGYFQABV-NSHDSACASA-N 0 0 304.412 0.632 10 0 DCAERN C[C@@H]1c2nncn2CCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000577883851 341946375 /nfs/dbraw/zinc/94/63/75/341946375.db2.gz UZEJPZFQOBLJLT-MCIONIFRSA-N 0 0 319.409 0.825 10 0 DCAERN C[C@H]1COCC[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000302024080 534048545 /nfs/dbraw/zinc/04/85/45/534048545.db2.gz KSVHLJWUFVTTBH-IONNQARKSA-N 0 0 304.393 0.550 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000128108758 518319071 /nfs/dbraw/zinc/31/90/71/518319071.db2.gz YOPNMAKICDVBPM-OAHLLOKOSA-N 0 0 306.362 0.312 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@@H](C)C[C@@H]3C(N)=O)c2n1 ZINC000188485720 534369786 /nfs/dbraw/zinc/36/97/86/534369786.db2.gz MPIMJHIRTXOVCR-BXKDBHETSA-N 0 0 301.350 0.764 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000188465470 519485333 /nfs/dbraw/zinc/48/53/33/519485333.db2.gz SRVUKUQLRKWISO-CQSZACIVSA-N 0 0 319.409 0.612 10 0 DCAERN CC(=O)NC1CN(C(=O)c2c(C)nn3c2nc(C)cc3C)C1 ZINC000190497469 519648651 /nfs/dbraw/zinc/64/86/51/519648651.db2.gz GJRJKLBKYSAJOZ-UHFFFAOYSA-N 0 0 301.350 0.615 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)C1 ZINC000190524348 519649128 /nfs/dbraw/zinc/64/91/28/519649128.db2.gz NXCYWXBCZYPULU-UHFFFAOYSA-N 0 0 324.402 0.667 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000186068124 519675886 /nfs/dbraw/zinc/67/58/86/519675886.db2.gz KKKHEIPXJGOUFV-KRWDZBQOSA-N 0 0 318.373 0.954 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000154883130 519871326 /nfs/dbraw/zinc/87/13/26/519871326.db2.gz FUYZTCMVBBIFSP-ZDUSSCGKSA-N 0 0 320.393 0.900 10 0 DCAERN CC(C)n1nnnc1CN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156288606 520141819 /nfs/dbraw/zinc/14/18/19/520141819.db2.gz LEBBMHGYXIYRIJ-AWEZNQCLSA-N 0 0 300.366 0.927 10 0 DCAERN CC(C)n1nnnc1CN1CCc2cc(S(N)(=O)=O)ccc21 ZINC000154769745 520143405 /nfs/dbraw/zinc/14/34/05/520143405.db2.gz HZKXZWGWYMIMCN-UHFFFAOYSA-N 0 0 322.394 0.464 10 0 DCAERN CC1(C)CN(C(=O)NCCc2cccnc2)CCS1(=O)=O ZINC000157005152 520435474 /nfs/dbraw/zinc/43/54/74/520435474.db2.gz HYLIJFXVVMBFLE-UHFFFAOYSA-N 0 0 311.407 0.843 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000366169506 520444499 /nfs/dbraw/zinc/44/44/99/520444499.db2.gz IJTZXMPFADDXCS-RYUDHWBXSA-N 0 0 312.435 0.917 10 0 DCAERN CCCCNC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189952757 520635327 /nfs/dbraw/zinc/63/53/27/520635327.db2.gz LNUFLFXWFDKZCZ-LBPRGKRZSA-N 0 0 314.411 0.701 10 0 DCAERN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC(CO)C1 ZINC000184221314 520736212 /nfs/dbraw/zinc/73/62/12/520736212.db2.gz FMZTWJKILAGDKZ-OAHLLOKOSA-N 0 0 304.390 0.965 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000189155840 521217867 /nfs/dbraw/zinc/21/78/67/521217867.db2.gz DXSNENZNBPWRTR-SECBINFHSA-N 0 0 320.271 0.958 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117285720 521232064 /nfs/dbraw/zinc/23/20/64/521232064.db2.gz FUOXZYVRJZRFMF-OLZOCXBDSA-N 0 0 314.430 0.393 10 0 DCAERN CCN1CCCN(C(=O)c2ccc3nnn(C)c3c2)CC1=O ZINC000190463584 521611055 /nfs/dbraw/zinc/61/10/55/521611055.db2.gz LEOKVTARHSFFDQ-UHFFFAOYSA-N 0 0 301.350 0.663 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC(OCC(C)C)CC1 ZINC000157156949 521669775 /nfs/dbraw/zinc/66/97/75/521669775.db2.gz WACRNGVQOAPKJV-UHFFFAOYSA-N 0 0 306.428 0.589 10 0 DCAERN CCN1C[C@@H](C(=O)NCc2cn(C)nc2C(F)(F)F)CC1=O ZINC000153977871 521726455 /nfs/dbraw/zinc/72/64/55/521726455.db2.gz FFILNPQNDIPYEX-QMMMGPOBSA-N 0 0 318.299 0.924 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000190895438 521750217 /nfs/dbraw/zinc/75/02/17/521750217.db2.gz YSGPFWLCSUUDKE-OLZOCXBDSA-N 0 0 302.334 0.312 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189466441 522194779 /nfs/dbraw/zinc/19/47/79/522194779.db2.gz HJOHDGFLOQUORP-UHFFFAOYSA-N 0 0 302.330 0.824 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000365694626 522247341 /nfs/dbraw/zinc/24/73/41/522247341.db2.gz DAZDJLRFLPSHCA-WUHRBBMRSA-N 0 0 300.424 0.963 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C)C(=O)C1 ZINC000153351081 522510142 /nfs/dbraw/zinc/51/01/42/522510142.db2.gz BFHKOGIIZHHCGH-JTQLQIEISA-N 0 0 306.370 0.159 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)C(=O)NCCCc1ccccc1 ZINC000182867581 522520834 /nfs/dbraw/zinc/52/08/34/522520834.db2.gz FBZIGUVSHIKJES-QGZVFWFLSA-N 0 0 322.405 0.639 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000182880954 522523455 /nfs/dbraw/zinc/52/34/55/522523455.db2.gz XVOINKFYEHYNSM-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN CNc1nnc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)s1 ZINC000190682157 522719549 /nfs/dbraw/zinc/71/95/49/522719549.db2.gz IYUKTNLXPDGWRL-HOTUBEGUSA-N 0 0 324.406 0.922 10 0 DCAERN CC[C@@H](NC(=O)NCCn1cc(C)cn1)C(=O)N1CCOCC1 ZINC000176527119 522727428 /nfs/dbraw/zinc/72/74/28/522727428.db2.gz ONBPWHSYRVOMCJ-CYBMUJFWSA-N 0 0 323.397 0.128 10 0 DCAERN CC[C@@H](NC(=O)c1cnn2c1CCCC2)C(=O)N1CCOCC1 ZINC000127458088 522801204 /nfs/dbraw/zinc/80/12/04/522801204.db2.gz BMQKQIHSBPFHHZ-CYBMUJFWSA-N 0 0 320.393 0.587 10 0 DCAERN COC(=O)CCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000163624164 522952637 /nfs/dbraw/zinc/95/26/37/522952637.db2.gz CWFINKWWFBKWOZ-UHFFFAOYSA-N 0 0 306.366 0.859 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)c1c(Cl)cnn1C ZINC000228059994 523139277 /nfs/dbraw/zinc/13/92/77/523139277.db2.gz AZTJAXAIDRWLMR-UHFFFAOYSA-N 0 0 309.775 0.646 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)CC2 ZINC000171342543 534705837 /nfs/dbraw/zinc/70/58/37/534705837.db2.gz JWLPGMXXSWAPCD-OLZOCXBDSA-N 0 0 319.409 0.665 10 0 DCAERN Cc1cccc(CN2CCO[C@H](CN(C)CC(N)=O)C2)c1C ZINC000275769680 534709170 /nfs/dbraw/zinc/70/91/70/534709170.db2.gz RECGRJYBDFIDAA-MRXNPFEDSA-N 0 0 305.422 0.921 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000190776321 523465770 /nfs/dbraw/zinc/46/57/70/523465770.db2.gz VZOBWERPWGVEBF-GJZGRUSLSA-N 0 0 322.409 0.572 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)cn1 ZINC000191718914 523479701 /nfs/dbraw/zinc/47/97/01/523479701.db2.gz UUECAELVWAAFMO-CQSZACIVSA-N 0 0 303.366 0.779 10 0 DCAERN COCCN(C)CCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190913534 523608099 /nfs/dbraw/zinc/60/80/99/523608099.db2.gz OOXORKLTFCDTIN-UHFFFAOYSA-N 0 0 320.386 0.691 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCCCCO)[C@@H]1c1cccnc1 ZINC000193280177 523696808 /nfs/dbraw/zinc/69/68/08/523696808.db2.gz PWDMAMJQSBKUIS-HIFRSBDPSA-N 0 0 305.378 0.880 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCCCCO)[C@H]1c1cccnc1 ZINC000193280164 523697861 /nfs/dbraw/zinc/69/78/61/523697861.db2.gz PWDMAMJQSBKUIS-UKRRQHHQSA-N 0 0 305.378 0.880 10 0 DCAERN CN1C(=O)Cc2cc(NC(=O)N[C@@H]3CCC(=O)N(C)C3)ccc21 ZINC000194103345 523713852 /nfs/dbraw/zinc/71/38/52/523713852.db2.gz NQZRFGBTLIVPDZ-GFCCVEGCSA-N 0 0 316.361 0.948 10 0 DCAERN CN(C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116887960 523822704 /nfs/dbraw/zinc/82/27/04/523822704.db2.gz ZKOHEOSVIUMCLL-GFCCVEGCSA-N 0 0 311.407 0.273 10 0 DCAERN COc1ccc(CCC(=O)N2CC(NC(C)=O)C2)cc1OC ZINC000190479374 523916552 /nfs/dbraw/zinc/91/65/52/523916552.db2.gz UFTRMWUHYMTBHG-UHFFFAOYSA-N 0 0 306.362 0.983 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854517 523939025 /nfs/dbraw/zinc/93/90/25/523939025.db2.gz FAAFRAANLWXKRP-JTQLQIEISA-N 0 0 315.320 0.786 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H](O)c2ccccc2F)CCC1=O ZINC000128611145 524024148 /nfs/dbraw/zinc/02/41/48/524024148.db2.gz ZNWORAWXTNDBCT-MFKMUULPSA-N 0 0 309.341 0.779 10 0 DCAERN CN1C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCC1=O ZINC000131091043 524024755 /nfs/dbraw/zinc/02/47/55/524024755.db2.gz WNYUHSWUZROGBW-OLZOCXBDSA-N 0 0 318.377 0.003 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)nn1-c1ccccc1 ZINC000152138375 524149936 /nfs/dbraw/zinc/14/99/36/524149936.db2.gz GAMBDOGTUUALSC-LBPRGKRZSA-N 0 0 312.329 0.716 10 0 DCAERN Cc1cc(C)c2c(c1)CN(C(=O)CN1CC(=O)NC1=O)CC2 ZINC000188653258 524343804 /nfs/dbraw/zinc/34/38/04/524343804.db2.gz NWTILAVRDIEWOU-UHFFFAOYSA-N 0 0 301.346 0.740 10 0 DCAERN C[C@H]1CN(C(=O)Nn2cnc3ccccc32)CCS1(=O)=O ZINC000121869331 524515637 /nfs/dbraw/zinc/51/56/37/524515637.db2.gz HXPYFHCIUCHSAA-JTQLQIEISA-N 0 0 308.363 0.819 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC000156727471 524576962 /nfs/dbraw/zinc/57/69/62/524576962.db2.gz YRQAIODDRCEXRH-AAEUAGOBSA-N 0 0 305.378 0.915 10 0 DCAERN C[C@@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188298941 524804725 /nfs/dbraw/zinc/80/47/25/524804725.db2.gz RELQULBJPYDFCN-GXFFZTMASA-N 0 0 309.341 0.607 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C(N)=O)nc2)[nH]n1 ZINC000162957341 524825319 /nfs/dbraw/zinc/82/53/19/524825319.db2.gz LILRDCVDUOEMFC-MRVPVSSYSA-N 0 0 302.338 0.965 10 0 DCAERN C[C@@H]1CN(C(=O)c2occc2Br)C[C@@H](C(N)=O)O1 ZINC000157374937 524888632 /nfs/dbraw/zinc/88/86/32/524888632.db2.gz VSALFWSTXGQTRS-SVRRBLITSA-N 0 0 317.139 0.757 10 0 DCAERN Cc1cc(F)ccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000134210597 524966855 /nfs/dbraw/zinc/96/68/55/524966855.db2.gz WWQKWMHJKJFPKV-LLVKDONJSA-N 0 0 300.355 0.898 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c(C)c1 ZINC000187979113 524993982 /nfs/dbraw/zinc/99/39/82/524993982.db2.gz CDQWINAZYIPOJQ-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)[C@@H](C)CO1 ZINC000246729970 525043366 /nfs/dbraw/zinc/04/33/66/525043366.db2.gz GDDXMXIRVOLPJB-QWHCGFSZSA-N 0 0 316.427 0.559 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)[C@@H](C)CO1 ZINC000245780476 525046115 /nfs/dbraw/zinc/04/61/15/525046115.db2.gz CADFJSWFOCUHGH-NWDGAFQWSA-N 0 0 314.407 0.623 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000157106293 525047608 /nfs/dbraw/zinc/04/76/08/525047608.db2.gz JKOMOIJZVJKSCN-RDDDGLTNSA-N 0 0 318.782 0.895 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCCNC(=O)C2CC2)c1 ZINC000157145057 525281801 /nfs/dbraw/zinc/28/18/01/525281801.db2.gz YZMDIWNTSIRAKM-UHFFFAOYSA-N 0 0 316.404 0.408 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000245425876 525521042 /nfs/dbraw/zinc/52/10/42/525521042.db2.gz ULDWKZSGSZCRKO-DRZSPHRISA-N 0 0 312.391 0.571 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000152935141 525738468 /nfs/dbraw/zinc/73/84/68/525738468.db2.gz YMCJWFJTTPCLQK-YGRLFVJLSA-N 0 0 314.332 0.523 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000181044704 525760760 /nfs/dbraw/zinc/76/07/60/525760760.db2.gz DVUFQNBOFQUJAV-SNVBAGLBSA-N 0 0 317.349 0.640 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1C ZINC000163474905 525789164 /nfs/dbraw/zinc/78/91/64/525789164.db2.gz KKTSXFKMTKVBPW-WDEREUQCSA-N 0 0 324.356 0.073 10 0 DCAERN Cc1cnc(CCN(C)C(=O)Cn2ccc(=O)n(C)c2=O)s1 ZINC000124841611 525991433 /nfs/dbraw/zinc/99/14/33/525991433.db2.gz KJZQEHJCDVXMHU-UHFFFAOYSA-N 0 0 322.390 0.013 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCc2ccccc2C1 ZINC000111587842 526072377 /nfs/dbraw/zinc/07/23/77/526072377.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 0 0 317.433 0.880 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000180425454 526457782 /nfs/dbraw/zinc/45/77/82/526457782.db2.gz DFPZNJUNMRHAPD-YPMHNXCESA-N 0 0 304.412 0.643 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCOCC1 ZINC000330849307 526484332 /nfs/dbraw/zinc/48/43/32/526484332.db2.gz PTESBLYUOQAZSD-UHFFFAOYSA-N 0 0 305.334 0.467 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000187888532 526529254 /nfs/dbraw/zinc/52/92/54/526529254.db2.gz MFWJGPMHIXUMOK-DOMZBBRYSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000330905018 526679402 /nfs/dbraw/zinc/67/94/02/526679402.db2.gz AQVZNWHOFQROMB-ONGXEEELSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1nnc2ccccn21 ZINC000331689830 526680296 /nfs/dbraw/zinc/68/02/96/526680296.db2.gz WQJAHOCHRQETJR-KOLCDFICSA-N 0 0 319.390 0.828 10 0 DCAERN Cc1noc2ncc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cc12 ZINC000157509811 526684627 /nfs/dbraw/zinc/68/46/27/526684627.db2.gz ZUGADCWAZLSYAF-HQJQHLMTSA-N 0 0 304.306 0.246 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCCC[C@H]1O ZINC000130362848 526692453 /nfs/dbraw/zinc/69/24/53/526692453.db2.gz QHFGCTJUDKZDML-UONOGXRCSA-N 0 0 316.361 0.601 10 0 DCAERN Cc1nsc(N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000119505438 526712268 /nfs/dbraw/zinc/71/22/68/526712268.db2.gz FWLHJSHXBMVSCN-SNVBAGLBSA-N 0 0 318.468 0.649 10 0 DCAERN Cc1nc(CNC(=O)N2CCCN(CC(F)F)CC2)no1 ZINC000162664494 526879691 /nfs/dbraw/zinc/87/96/91/526879691.db2.gz RXIQUZCCQHJWGQ-UHFFFAOYSA-N 0 0 303.313 0.860 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000137095687 526924260 /nfs/dbraw/zinc/92/42/60/526924260.db2.gz PRHKXYIMKSLMSX-RKDXNWHRSA-N 0 0 311.288 0.770 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCC(F)F ZINC000191542563 526942452 /nfs/dbraw/zinc/94/24/52/526942452.db2.gz RPNOFOPKSCDLNI-NSHDSACASA-N 0 0 315.320 0.664 10 0 DCAERN Cn1c2cccc(C(=O)NC[C@@H]3CN(C)CCO3)c2oc1=O ZINC000161679051 527106482 /nfs/dbraw/zinc/10/64/82/527106482.db2.gz ZGFUDKLIZIMHPS-SNVBAGLBSA-N 0 0 305.334 0.192 10 0 DCAERN Cn1c2cccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2oc1=O ZINC000122928695 527108498 /nfs/dbraw/zinc/10/84/98/527108498.db2.gz RFNKKNYZBVPEHT-SECBINFHSA-N 0 0 303.318 0.482 10 0 DCAERN O=C(Cc1cccc(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000128060325 527260273 /nfs/dbraw/zinc/26/02/73/527260273.db2.gz TXVASHRBUBJASJ-CQSZACIVSA-N 0 0 312.797 0.692 10 0 DCAERN O=S(=O)(c1cccc2ncccc21)N1CCO[C@@H](CO)C1 ZINC000158958642 527285943 /nfs/dbraw/zinc/28/59/43/527285943.db2.gz KTRBEKIDPSMOFU-LLVKDONJSA-N 0 0 308.359 0.617 10 0 DCAERN O=C(NC(CO)CO)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000122607035 527465536 /nfs/dbraw/zinc/46/55/36/527465536.db2.gz JOAYXYIIRJHDRD-LLVKDONJSA-N 0 0 306.284 0.812 10 0 DCAERN Cn1cnc(CNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000120269932 527483367 /nfs/dbraw/zinc/48/33/67/527483367.db2.gz XSKGAYCPZTWVOT-SNVBAGLBSA-N 0 0 309.370 0.688 10 0 DCAERN O=C(Nc1n[nH]c2cccc(F)c21)C1CC2(C1)NC(=O)NC2=O ZINC000156446349 527497214 /nfs/dbraw/zinc/49/72/14/527497214.db2.gz KPGLIMYSVJASCW-UHFFFAOYSA-N 0 0 317.280 0.629 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOC2(CCCC2)C1 ZINC000268998084 527576152 /nfs/dbraw/zinc/57/61/52/527576152.db2.gz IWLKMPCZXKHAQF-UHFFFAOYSA-N 0 0 316.365 0.580 10 0 DCAERN Cn1nccc1C1CCN(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000159152811 527597937 /nfs/dbraw/zinc/59/79/37/527597937.db2.gz NKKOKMRHKAVMNH-AWEZNQCLSA-N 0 0 321.425 0.640 10 0 DCAERN O=C(C(=O)N1CCNC(=O)CC1)N1CCc2c1cccc2F ZINC000190434110 527665310 /nfs/dbraw/zinc/66/53/10/527665310.db2.gz JNFTXQIGPFSUCP-UHFFFAOYSA-N 0 0 305.309 0.063 10 0 DCAERN Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cc12 ZINC000157479413 527687824 /nfs/dbraw/zinc/68/78/24/527687824.db2.gz QOCBJIPPXGAFAB-XCBNKYQSSA-N 0 0 322.390 0.658 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000183908479 528332422 /nfs/dbraw/zinc/33/24/22/528332422.db2.gz NYEVDLGBBHPBDP-SNVBAGLBSA-N 0 0 310.441 0.082 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181593245 528546593 /nfs/dbraw/zinc/54/65/93/528546593.db2.gz QABKYEQYIJVYFB-NSHDSACASA-N 0 0 305.444 0.257 10 0 DCAERN COc1nccc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000285227237 537146857 /nfs/dbraw/zinc/14/68/57/537146857.db2.gz PTHCBWMZZWHTEW-GHMZBOCLSA-N 0 0 307.354 0.422 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)COC[C@H]3CCOC3)CCO2)c1 ZINC000117800753 545736605 /nfs/dbraw/zinc/73/66/05/545736605.db2.gz HCRDLZLNFURWGE-LSDHHAIUSA-N 0 0 323.393 0.472 10 0 DCAERN CCOc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1C ZINC000132326208 545793735 /nfs/dbraw/zinc/79/37/35/545793735.db2.gz POYWLJRCSJRRAF-OAHLLOKOSA-N 0 0 322.405 0.817 10 0 DCAERN COCCC1(C(=O)NC[C@H](O)CN2CCOCC2)CCC1 ZINC000132900959 545795319 /nfs/dbraw/zinc/79/53/19/545795319.db2.gz OMSVIIOSXAUPHT-ZDUSSCGKSA-N 0 0 300.399 0.003 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccnn3)CCO2)c1 ZINC000151769923 545820346 /nfs/dbraw/zinc/82/03/46/545820346.db2.gz GRRDEEJNUYZZBU-GFCCVEGCSA-N 0 0 302.338 0.914 10 0 DCAERN C[C@@H](O)CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000154312244 545838042 /nfs/dbraw/zinc/83/80/42/545838042.db2.gz YCYPDNXDSSXSEK-SECBINFHSA-N 0 0 312.391 0.966 10 0 DCAERN Cc1cccc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n1 ZINC000154769846 545840526 /nfs/dbraw/zinc/84/05/26/545840526.db2.gz XUVSLTSKWQVBFR-LBPRGKRZSA-N 0 0 313.423 0.970 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC1CCC(CO)CC1 ZINC000181028981 545902431 /nfs/dbraw/zinc/90/24/31/545902431.db2.gz MVUNSYVIFCKXFH-HTAVTVPLSA-N 0 0 300.424 0.965 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000182920605 545906697 /nfs/dbraw/zinc/90/66/97/545906697.db2.gz MYDRTDIKZOPWAT-ZDUSSCGKSA-N 0 0 305.382 0.433 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1CCN(C)C(=O)C1)C(C)C ZINC000188726861 545918081 /nfs/dbraw/zinc/91/80/81/545918081.db2.gz KJBBAOCCUNWJKZ-WFASDCNBSA-N 0 0 311.426 0.910 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CCN1CCO ZINC000188879726 545918107 /nfs/dbraw/zinc/91/81/07/545918107.db2.gz RTYWRUVOYVAXNL-LLVKDONJSA-N 0 0 305.382 0.884 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000189893787 545923412 /nfs/dbraw/zinc/92/34/12/545923412.db2.gz YWAPZOHRKCEURY-NWDGAFQWSA-N 0 0 308.382 0.402 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ncc(Br)s2)C1 ZINC000192553073 545928368 /nfs/dbraw/zinc/92/83/68/545928368.db2.gz UKBKEDGOIMOUER-UHFFFAOYSA-N 0 0 304.169 0.866 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000193918543 545931338 /nfs/dbraw/zinc/93/13/38/545931338.db2.gz SDPYIDBTFCPRRK-BDAKNGLRSA-N 0 0 309.395 0.926 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(N2CCCCC2)ncn1 ZINC000238869986 545960221 /nfs/dbraw/zinc/96/02/21/545960221.db2.gz MQZFPVPWYYGFEG-NSHDSACASA-N 0 0 324.406 0.384 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000252191986 545974772 /nfs/dbraw/zinc/97/47/72/545974772.db2.gz RTQMRGJLUQMCCV-FRRDWIJNSA-N 0 0 315.439 0.564 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000333137267 546072638 /nfs/dbraw/zinc/07/26/38/546072638.db2.gz JPKXHWBQHFXNEM-AEGPPILISA-N 0 0 311.426 0.916 10 0 DCAERN COc1cccc(CNC(=O)c2c3n(c(=O)n2C)CCCC3)n1 ZINC000333516681 546083079 /nfs/dbraw/zinc/08/30/79/546083079.db2.gz GEKITEOMFZKCIK-UHFFFAOYSA-N 0 0 316.361 0.857 10 0 DCAERN Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)N(C)CCCO ZINC000443355102 546256433 /nfs/dbraw/zinc/25/64/33/546256433.db2.gz YOYRCZGTJLNBGN-UHFFFAOYSA-N 0 0 316.361 0.960 10 0 DCAERN CC1CCC(OCC(=O)N2CC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000671498596 547226824 /nfs/dbraw/zinc/22/68/24/547226824.db2.gz DWRWWKSPMJGOON-ZBCRRDGASA-N 0 0 322.409 0.837 10 0 DCAERN COC(=O)Nc1nc2cc(S(=O)(=O)C[C@@H](C)O)ccc2[nH]1 ZINC000005115938 560200758 /nfs/dbraw/zinc/20/07/58/560200758.db2.gz HXRHOFREEVMBGY-SSDOTTSWSA-N 0 0 313.335 0.318 10 0 in-vitro DCAERN CN(C)Cc1csc(CNS(=O)(=O)c2c[nH]cn2)n1 ZINC000722396676 661113299 /nfs/dbraw/zinc/11/32/99/661113299.db2.gz QSANTQLGGPKQAR-UHFFFAOYSA-N 0 0 301.397 0.406 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)nn1 ZINC000888093503 661158444 /nfs/dbraw/zinc/15/84/44/661158444.db2.gz AOYOZOQLWYKMSC-QWHCGFSZSA-N 0 0 303.322 0.095 10 0 DCAERN Cc1ncccc1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888095083 661164760 /nfs/dbraw/zinc/16/47/60/661164760.db2.gz IFDSBCYKOVJZNX-VBQJREDUSA-N 0 0 317.389 0.875 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1sccc1Br ZINC000722486110 661271951 /nfs/dbraw/zinc/27/19/51/661271951.db2.gz LHTUKCQMAOWHME-RXMQYKEDSA-N 0 0 313.198 0.692 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCn1cccn1 ZINC000068506651 665425663 /nfs/dbraw/zinc/42/56/63/665425663.db2.gz HXQRGYAJHUUQKF-LBPRGKRZSA-N 0 0 315.395 0.631 10 0 DCAERN Cc1cccnc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000180280171 665430221 /nfs/dbraw/zinc/43/02/21/665430221.db2.gz WEBHIABLMJGHOL-UHFFFAOYSA-N 0 0 313.317 0.577 10 0 DCAERN C[C@H](O)CCNC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255105394 657484770 /nfs/dbraw/zinc/48/47/70/657484770.db2.gz FZIYSALXUFQCAR-OFSNVTPPSA-N 0 0 312.391 0.958 10 0 DCAERN CCOC(=O)CN(CC(=O)N1CCO[C@H](C)C1)C(C)(C)C ZINC000178213157 657576657 /nfs/dbraw/zinc/57/66/57/657576657.db2.gz ZHWOCWYDUKPYHM-GFCCVEGCSA-N 0 0 300.399 0.897 10 0 DCAERN COC(=O)c1ccc(NCC(C)(C)CS(C)(=O)=O)nn1 ZINC000723851925 657655405 /nfs/dbraw/zinc/65/54/05/657655405.db2.gz NKHFUUPUOYOEHI-UHFFFAOYSA-N 0 0 301.368 0.746 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000233973891 657655562 /nfs/dbraw/zinc/65/55/62/657655562.db2.gz CSPBZZVCFCBFDY-GRYCIOLGSA-N 0 0 320.480 0.554 10 0 DCAERN CCOC(CC(=O)NCC(C)(C)CS(C)(=O)=O)OCC ZINC000723863458 657678816 /nfs/dbraw/zinc/67/88/16/657678816.db2.gz FJJAQXUGJIBSQU-UHFFFAOYSA-N 0 0 309.428 0.963 10 0 DCAERN CC(=O)[C@H]1CC(C(=O)NC2(CO)CC2)=NN1c1ccccc1 ZINC000160338640 657717842 /nfs/dbraw/zinc/71/78/42/657717842.db2.gz RGBUDZXCXBWBFL-CQSZACIVSA-N 0 0 301.346 0.851 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)N1CCC(=O)C[C@H]1C1CC1)N(C)C2 ZINC000891807856 657776201 /nfs/dbraw/zinc/77/62/01/657776201.db2.gz KFLMHHBIJSYRFH-KBPBESRZSA-N 0 0 317.393 0.371 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000356356539 665519369 /nfs/dbraw/zinc/51/93/69/665519369.db2.gz VKHJOWQTFAJRCC-CHWSQXEVSA-N 0 0 312.366 0.897 10 0 DCAERN COC(=O)C1(O)CN(C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724049716 657922995 /nfs/dbraw/zinc/92/29/95/657922995.db2.gz UGORKIJAJCZYQL-ZETCQYMHSA-N 0 0 307.215 0.155 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)N(Cc1ccccc1)C1CC1 ZINC000725011821 658025119 /nfs/dbraw/zinc/02/51/19/658025119.db2.gz QZEQZPSTUNNMHD-HNNXBMFYSA-N 0 0 322.430 0.954 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)C2CC3(CSC3)C2)CCC1 ZINC000721563742 658035213 /nfs/dbraw/zinc/03/52/13/658035213.db2.gz CAMPKDBFBXNSLM-UHFFFAOYSA-N 0 0 304.437 0.457 10 0 DCAERN COCCN([C@H](C)C(N)=O)S(=O)(=O)/C=C\c1ccccc1 ZINC000255008318 658200613 /nfs/dbraw/zinc/20/06/13/658200613.db2.gz CYJYZQCFJFOJLI-NXIHDVOMSA-N 0 0 312.391 0.809 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255473167 658224995 /nfs/dbraw/zinc/22/49/95/658224995.db2.gz OSSQIEGHNZCUMB-ANECEYIJSA-N 0 0 305.378 0.887 10 0 DCAERN NC(=O)[C@H]1CCN1c1ncncc1I ZINC000757140108 658459130 /nfs/dbraw/zinc/45/91/30/658459130.db2.gz AOHXCKODUGCEOU-ZCFIWIBFSA-N 0 0 304.091 0.145 10 0 DCAERN C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cccnc1 ZINC000255285637 658477726 /nfs/dbraw/zinc/47/77/26/658477726.db2.gz OZRJFIFVEDDPAO-JMEBYUIHSA-N 0 0 315.329 0.797 10 0 DCAERN NC(=O)Cn1cc(NS(=O)(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000176688082 658505351 /nfs/dbraw/zinc/50/53/51/658505351.db2.gz FFRJSXWWIBKWMT-AATRIKPKSA-N 0 0 324.337 0.920 10 0 DCAERN Cn1cnn(CN2CCN(c3nc4ccccc4o3)CC2)c1=O ZINC000179480443 658506596 /nfs/dbraw/zinc/50/65/96/658506596.db2.gz SKRIMSOYHNCLDA-UHFFFAOYSA-N 0 0 314.349 0.503 10 0 DCAERN Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)CC2 ZINC000220612116 658544851 /nfs/dbraw/zinc/54/48/51/658544851.db2.gz SBQYWJNTNNQLMU-QMMMGPOBSA-N 0 0 319.390 0.946 10 0 DCAERN CCCc1noc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000888076882 658718531 /nfs/dbraw/zinc/71/85/31/658718531.db2.gz RTKJFDWFLOJZHD-HNNXBMFYSA-N 0 0 320.397 0.720 10 0 DCAERN Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(C)o1 ZINC000888078361 658726856 /nfs/dbraw/zinc/72/68/56/658726856.db2.gz LRQDEWQUFNQPFQ-MRXNPFEDSA-N 0 0 321.377 0.299 10 0 DCAERN CCCCN(CC(N)=O)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255872516 658781770 /nfs/dbraw/zinc/78/17/70/658781770.db2.gz ISMGJKDAHKRJGB-GFCCVEGCSA-N 0 0 321.425 0.802 10 0 DCAERN CCCCN(CC(N)=O)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255872517 658782152 /nfs/dbraw/zinc/78/21/52/658782152.db2.gz ISMGJKDAHKRJGB-LBPRGKRZSA-N 0 0 321.425 0.802 10 0 DCAERN COC(=O)C(C)(C)C(=O)Cn1cncc(Br)c1=O ZINC000310667774 658787717 /nfs/dbraw/zinc/78/77/17/658787717.db2.gz GTSDIMDSQZWOLS-UHFFFAOYSA-N 0 0 317.139 0.774 10 0 DCAERN COC(=O)[C@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000176763529 658871724 /nfs/dbraw/zinc/87/17/24/658871724.db2.gz WNAMKSIPUFFDPR-ZDUSSCGKSA-N 0 0 310.394 0.858 10 0 DCAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)C(C)(C)O ZINC000394011500 659079702 /nfs/dbraw/zinc/07/97/02/659079702.db2.gz JCXTUDICZPQELM-SECBINFHSA-N 0 0 320.436 0.692 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000125339274 659117103 /nfs/dbraw/zinc/11/71/03/659117103.db2.gz VQMREAHZJFRHGY-AAEUAGOBSA-N 0 0 313.361 0.993 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 ZINC000186636931 659282747 /nfs/dbraw/zinc/28/27/47/659282747.db2.gz VMPWVVLJBRSKIL-ZDUSSCGKSA-N 0 0 314.297 0.776 10 0 DCAERN CCc1nc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)cs1 ZINC000328220453 659524848 /nfs/dbraw/zinc/52/48/48/659524848.db2.gz LIPPDRHHUIMRLV-SECBINFHSA-N 0 0 317.436 0.098 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCc1cn[nH]c1 ZINC000178448792 659730831 /nfs/dbraw/zinc/73/08/31/659730831.db2.gz ARNAPPVWCKLTNC-LBPRGKRZSA-N 0 0 315.395 0.700 10 0 DCAERN O=CN1CCC(OC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000181959496 665699898 /nfs/dbraw/zinc/69/98/98/665699898.db2.gz MGVCXUKABYAXPH-GFCCVEGCSA-N 0 0 320.345 0.792 10 0 DCAERN CN(CCO)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)on1 ZINC000222730639 661631751 /nfs/dbraw/zinc/63/17/51/661631751.db2.gz SJOFBUZYVQSJNS-UHFFFAOYSA-N 0 0 324.358 0.809 10 0 DCAERN CC(=O)NC(C)(C)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000726835911 661677056 /nfs/dbraw/zinc/67/70/56/661677056.db2.gz BZWAOIFNRVHCFG-UHFFFAOYSA-N 0 0 322.317 0.812 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261798266 661698943 /nfs/dbraw/zinc/69/89/43/661698943.db2.gz VQQKTYHBSRPYDS-CYBMUJFWSA-N 0 0 321.406 0.633 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)c1c(Br)nnn1C ZINC000310427889 662065115 /nfs/dbraw/zinc/06/51/15/662065115.db2.gz PMCPGIVBRMHQCQ-SSDOTTSWSA-N 0 0 303.160 0.829 10 0 DCAERN Cn1nccc1CCNC(=O)NCCNC(=O)c1ccccc1 ZINC000186476666 665849596 /nfs/dbraw/zinc/84/95/96/665849596.db2.gz UJOMNLSUSVJHHJ-UHFFFAOYSA-N 0 0 315.377 0.692 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000728709060 662413281 /nfs/dbraw/zinc/41/32/81/662413281.db2.gz NUUQJBXAPQYGLJ-UHFFFAOYSA-N 0 0 311.338 0.172 10 0 DCAERN CCOCC[N@@H+]1CCN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1CC ZINC000152200636 662489398 /nfs/dbraw/zinc/48/93/98/662489398.db2.gz KMNFUSHEFOVMAB-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)nc1C ZINC000721841284 662562043 /nfs/dbraw/zinc/56/20/43/662562043.db2.gz YDZDYRYDZKUFHB-LLVKDONJSA-N 0 0 301.412 0.993 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)C(F)(F)C(F)F)CCO1 ZINC000262924275 662599665 /nfs/dbraw/zinc/59/96/65/662599665.db2.gz LFUCSDVVTPMJNR-SSDOTTSWSA-N 0 0 316.251 0.131 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000342961278 662636793 /nfs/dbraw/zinc/63/67/93/662636793.db2.gz HCHOKPDNZYZXJT-NSHDSACASA-N 0 0 308.338 0.984 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC000729263265 662761519 /nfs/dbraw/zinc/76/15/19/662761519.db2.gz VIPORKWCJWZYKQ-LBPRGKRZSA-N 0 0 302.396 0.611 10 0 DCAERN COc1ccc(Br)cc1CC(=O)NNC(=O)CO ZINC000182769049 665901112 /nfs/dbraw/zinc/90/11/12/665901112.db2.gz CDRDQJFSWKLUCI-UHFFFAOYSA-N 0 0 317.139 0.140 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081589388 662898336 /nfs/dbraw/zinc/89/83/36/662898336.db2.gz QZGLCIFJTYHVCK-QWRGUYRKSA-N 0 0 309.395 0.459 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000729544383 662902279 /nfs/dbraw/zinc/90/22/79/662902279.db2.gz NPSBDYVUNRNPNP-ONGXEEELSA-N 0 0 313.354 0.163 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N(C)C ZINC000729704204 662907743 /nfs/dbraw/zinc/90/77/43/662907743.db2.gz OUWJNXNTYDZILO-SNVBAGLBSA-N 0 0 318.351 0.197 10 0 DCAERN COC[C@H]1CN(C(=O)c2cccn3nnnc23)CC(C)(C)O1 ZINC000897700443 662921152 /nfs/dbraw/zinc/92/11/52/662921152.db2.gz NJJJLUGNUPPTER-SNVBAGLBSA-N 0 0 305.338 0.390 10 0 DCAERN C[C@@H](O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000344896990 663079805 /nfs/dbraw/zinc/07/98/05/663079805.db2.gz FAQXOZBMXZQCMX-VHSXEESVSA-N 0 0 301.364 0.896 10 0 DCAERN COCCOc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000344945115 663080980 /nfs/dbraw/zinc/08/09/80/663080980.db2.gz OSJVNFDHRHFARR-MNOVXSKESA-N 0 0 303.380 0.759 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000345452018 663087416 /nfs/dbraw/zinc/08/74/16/663087416.db2.gz RMPXUQIFCOLJIY-KGLIPLIRSA-N 0 0 321.402 0.983 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900939600 663295976 /nfs/dbraw/zinc/29/59/76/663295976.db2.gz AJXKQCATVIOMIS-HFAKWTLXSA-N 0 0 300.399 0.630 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000901065028 663313374 /nfs/dbraw/zinc/31/33/74/663313374.db2.gz KPPQRJXIPVPPJW-INIZCTEOSA-N 0 0 320.393 0.529 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccnc(Cl)c1Cl ZINC000901291060 663338227 /nfs/dbraw/zinc/33/82/27/663338227.db2.gz LTBXMRPVQUZAKC-SSDOTTSWSA-N 0 0 304.133 0.715 10 0 DCAERN CN(C)C(=O)C1CCN(Cn2nnc3ccccc3c2=O)CC1 ZINC000042912719 663514497 /nfs/dbraw/zinc/51/44/97/663514497.db2.gz AFAGTLYIWNTYAL-UHFFFAOYSA-N 0 0 315.377 0.549 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000437177591 663672065 /nfs/dbraw/zinc/67/20/65/663672065.db2.gz AAPWUNHFEUZRHN-LLVKDONJSA-N 0 0 322.365 0.410 10 0 DCAERN CN(C(=O)[C@@H]1OCCN(C)C1=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000908098161 663733191 /nfs/dbraw/zinc/73/31/91/663733191.db2.gz OZAUWUFYQMIVEN-BFHYXJOUSA-N 0 0 319.361 0.227 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1=O ZINC000908107502 663733896 /nfs/dbraw/zinc/73/38/96/663733896.db2.gz KPYOUZPHFRJLCV-QDEZUTFSSA-N 0 0 324.421 0.776 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909173026 663785680 /nfs/dbraw/zinc/78/56/80/663785680.db2.gz LUOBWKUUVGXJJL-YRGRVCCFSA-N 0 0 319.365 0.103 10 0 DCAERN O=C(c1ccc(Cn2ccnn2)cc1)N1CCOC[C@@H]1CO ZINC000912416913 664173587 /nfs/dbraw/zinc/17/35/87/664173587.db2.gz PSTLAANSBLJHLC-AWEZNQCLSA-N 0 0 302.334 0.160 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N2CCOC[C@@H]2CO)c1 ZINC000912418383 664173862 /nfs/dbraw/zinc/17/38/62/664173862.db2.gz MOKIBGRQGPGBBV-LBPRGKRZSA-N 0 0 308.334 0.400 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCOC[C@@H]1CO ZINC000912421794 664174353 /nfs/dbraw/zinc/17/43/53/664174353.db2.gz SAKGQGHDYRECGY-LBPRGKRZSA-N 0 0 306.362 0.889 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912428075 664175397 /nfs/dbraw/zinc/17/53/97/664175397.db2.gz SGAZWUCHKVGHBP-ZFWWWQNUSA-N 0 0 318.373 0.568 10 0 DCAERN Cc1nc(CC(=O)NCc2ccc3c(c2)OCO3)c(C)c(=O)[nH]1 ZINC000222936519 664395507 /nfs/dbraw/zinc/39/55/07/664395507.db2.gz RABOQFSTEKRMIO-UHFFFAOYSA-N 0 0 315.329 0.974 10 0 DCAERN CCn1cc(Cl)cc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000167941813 664514302 /nfs/dbraw/zinc/51/43/02/664514302.db2.gz JGRYIAMPEOYGGW-ZDUSSCGKSA-N 0 0 310.741 0.586 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCOC[C@H]1CO ZINC000168176288 664521096 /nfs/dbraw/zinc/52/10/96/664521096.db2.gz VEGFPUVSCJWCLC-SECBINFHSA-N 0 0 303.156 0.621 10 0 DCAERN CCS(=O)(=O)CCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000229553195 664605414 /nfs/dbraw/zinc/60/54/14/664605414.db2.gz OOHZRDBFEGSLKN-GFCCVEGCSA-N 0 0 317.432 0.929 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCc1ccc(C(N)=O)cc1 ZINC000730305249 664681078 /nfs/dbraw/zinc/68/10/78/664681078.db2.gz KMRHZEWCFZCAOZ-LBPRGKRZSA-N 0 0 308.359 0.750 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)NC1CCCC1 ZINC000730307171 664681914 /nfs/dbraw/zinc/68/19/14/664681914.db2.gz AVJOUXAROOJOGR-SKDRFNHKSA-N 0 0 314.407 0.898 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCC[C@H](C)C1 ZINC000730307265 664681929 /nfs/dbraw/zinc/68/19/29/664681929.db2.gz BEWZLAAVQORAIK-CMPLNLGQSA-N 0 0 314.407 0.710 10 0 DCAERN COC(=O)c1cn(CN2CCC(c3ccnn3C)CC2)nn1 ZINC000152200025 664740152 /nfs/dbraw/zinc/74/01/52/664740152.db2.gz WUBLTZDUHISBTL-UHFFFAOYSA-N 0 0 304.354 0.635 10 0 DCAERN CCN1C(=O)CN(CN2CCC(c3ccnn3C)CC2)C1=O ZINC000152200213 664740168 /nfs/dbraw/zinc/74/01/68/664740168.db2.gz OSDBIXXTFBNQMP-UHFFFAOYSA-N 0 0 305.382 0.841 10 0 DCAERN CCN1C(=S)N=NC1Cn1c(=O)[nH]c2ccccc2c1=O ZINC000153358549 664823316 /nfs/dbraw/zinc/82/33/16/664823316.db2.gz PZMOQCOWUJHXPV-UHFFFAOYSA-N 0 0 303.347 0.638 10 0 DCAERN O=C(NCCNc1cc[nH+]cc1)c1n[n-]c2ccccc2c1=O ZINC000732274612 664911053 /nfs/dbraw/zinc/91/10/53/664911053.db2.gz WUOPCHKVTUDRKW-UHFFFAOYSA-N 0 0 309.329 0.994 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CNC(=O)N1 ZINC000732361747 664921696 /nfs/dbraw/zinc/92/16/96/664921696.db2.gz QUTQMEWYCNMMKB-BXKDBHETSA-N 0 0 319.317 0.441 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)cn1 ZINC000153716047 664939855 /nfs/dbraw/zinc/93/98/55/664939855.db2.gz UZXQORDAWVRXHX-UHFFFAOYSA-N 0 0 323.397 0.605 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)N2CCC3(CC2)OCCO3)c1=O ZINC000154568904 665149685 /nfs/dbraw/zinc/14/96/85/665149685.db2.gz BBNDNLZUTAHSKP-UHFFFAOYSA-N 0 0 324.381 0.165 10 0 DCAERN CCC(CC)(CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)SC ZINC000232896321 665170867 /nfs/dbraw/zinc/17/08/67/665170867.db2.gz ZUYUMWUVXHSBGT-LLVKDONJSA-N 0 0 322.496 0.801 10 0 DCAERN O=C(NCCS(=O)(=O)N1CCCC1)c1csc(Cl)n1 ZINC000721938162 665996186 /nfs/dbraw/zinc/99/61/86/665996186.db2.gz CWMMIWGSZITAMN-UHFFFAOYSA-N 0 0 323.827 0.952 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ncc(Cl)n1C ZINC000183226292 666005590 /nfs/dbraw/zinc/00/55/90/666005590.db2.gz PCZURRWUBXUDMZ-SECBINFHSA-N 0 0 316.814 0.953 10 0 DCAERN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CC(CO)C2)cc1 ZINC000184216371 666191338 /nfs/dbraw/zinc/19/13/38/666191338.db2.gz SNTVTHFCOATHOQ-UHFFFAOYSA-N 0 0 318.402 0.993 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000733878089 666823475 /nfs/dbraw/zinc/82/34/75/666823475.db2.gz DRFPRTZQMXBIIS-FLCAKIMKSA-N 0 0 314.407 0.046 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000733893451 666827102 /nfs/dbraw/zinc/82/71/02/666827102.db2.gz XGYGWWRDJLZVHQ-AOUSDQRYSA-N 0 0 310.375 0.904 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000733961440 666832208 /nfs/dbraw/zinc/83/22/08/666832208.db2.gz UMZYZEMOOOVVHK-QKKBWIMNSA-N 0 0 308.403 0.849 10 0 DCAERN CCCCC(=O)N1CSC[C@H]1C(=O)NCC[S@@](=O)CC ZINC000733959913 666832249 /nfs/dbraw/zinc/83/22/49/666832249.db2.gz PFMGXKPYJYXMCC-YBTHPKLGSA-N 0 0 320.480 0.963 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000733962320 666832346 /nfs/dbraw/zinc/83/23/46/666832346.db2.gz LFVDPIUGYUJLQL-LJQANCHMSA-N 0 0 317.432 0.897 10 0 DCAERN CCc1nnc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000701637521 666861349 /nfs/dbraw/zinc/86/13/49/666861349.db2.gz NNLMSKXUUIUALZ-SECBINFHSA-N 0 0 304.441 0.614 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCOC[C@H]1CCCO1 ZINC000734449387 666876979 /nfs/dbraw/zinc/87/69/79/666876979.db2.gz YJUHIPUGXDGEQA-VXGBXAGGSA-N 0 0 302.396 0.220 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000702365911 666945690 /nfs/dbraw/zinc/94/56/90/666945690.db2.gz QEZKPLNDJDJZFZ-SOUVJXGZSA-N 0 0 319.405 0.815 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cccc(COC)c1 ZINC000735081385 666948589 /nfs/dbraw/zinc/94/85/89/666948589.db2.gz QISBOINURSEDQP-SFHVURJKSA-N 0 0 305.421 0.880 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000735091070 666949787 /nfs/dbraw/zinc/94/97/87/666949787.db2.gz VTCRSSLZFDADSQ-BYVOGVQKSA-N 0 0 319.471 0.554 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000735095972 666951801 /nfs/dbraw/zinc/95/18/01/666951801.db2.gz LUXFWBUWMCGWPL-IDFMNXDXSA-N 0 0 317.455 0.844 10 0 DCAERN CO[C@](C)(CO)CNC(=O)c1cnn(C)c1Br ZINC000702501696 666959251 /nfs/dbraw/zinc/95/92/51/666959251.db2.gz HUYKGFGLCCTIAL-JTQLQIEISA-N 0 0 306.160 0.310 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000735201198 666968359 /nfs/dbraw/zinc/96/83/59/666968359.db2.gz UXYRTJQHBBJVHR-NRFANRHFSA-N 0 0 311.407 0.576 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000735200447 666968384 /nfs/dbraw/zinc/96/83/84/666968384.db2.gz RETGRJIKIRHPRI-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CC(C)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702837198 667001718 /nfs/dbraw/zinc/00/17/18/667001718.db2.gz IHHFMVVLXNDVJC-GHMZBOCLSA-N 0 0 301.387 0.922 10 0 DCAERN CC(C)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702837199 667002272 /nfs/dbraw/zinc/00/22/72/667002272.db2.gz IHHFMVVLXNDVJC-MNOVXSKESA-N 0 0 301.387 0.922 10 0 DCAERN CS(=O)(=O)NC1CN(C(=O)c2coc(Br)c2)C1 ZINC000703131794 667061646 /nfs/dbraw/zinc/06/16/46/667061646.db2.gz HCROOJIVDLHICK-UHFFFAOYSA-N 0 0 323.168 0.416 10 0 DCAERN C[C@H](CN[C@@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306775 667080793 /nfs/dbraw/zinc/08/07/93/667080793.db2.gz UHXGDSKCUGNXQH-ZJUUUORDSA-N 0 0 308.400 0.560 10 0 DCAERN C[C@@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncn(C)n1 ZINC000391898831 1157722949 /nfs/dbraw/zinc/72/29/49/1157722949.db2.gz GDDYHIPXVFTODA-MNOVXSKESA-N 0 0 301.416 0.137 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@H]1CCSC1 ZINC000704895931 667268495 /nfs/dbraw/zinc/26/84/95/667268495.db2.gz HRIAKCVGDMGJSD-JTQLQIEISA-N 0 0 310.441 0.459 10 0 DCAERN O=S(=O)(NC[C@]1(CCO)CCOC1)c1ccc(Cl)nc1 ZINC000120160748 667273456 /nfs/dbraw/zinc/27/34/56/667273456.db2.gz SEVRCSSFWKMLHO-LBPRGKRZSA-N 0 0 320.798 0.802 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000120645414 667335073 /nfs/dbraw/zinc/33/50/73/667335073.db2.gz HJKZDNYFHNDVMH-DTWKUNHWSA-N 0 0 324.768 0.834 10 0 DCAERN O=C(N[C@@H]1CCOC[C@H]1O)c1ncsc1Br ZINC000706709628 667421326 /nfs/dbraw/zinc/42/13/26/667421326.db2.gz OPXSUMKQUSBNCP-PHDIDXHHSA-N 0 0 307.169 0.785 10 0 DCAERN C[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)CCS1(=O)=O ZINC000707306276 667437811 /nfs/dbraw/zinc/43/78/11/667437811.db2.gz MFXIUOZTHNTWDO-ZCFIWIBFSA-N 0 0 301.759 0.630 10 0 DCAERN C[C@@H](CN1CCCC1=O)NS(=O)(=O)C1CCC(=O)CC1 ZINC000708187673 667442248 /nfs/dbraw/zinc/44/22/48/667442248.db2.gz MUJJOSDTXWJUCQ-JTQLQIEISA-N 0 0 302.396 0.428 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)C1CCC(=O)CC1 ZINC000708241201 667442457 /nfs/dbraw/zinc/44/24/57/667442457.db2.gz NDEMRAAFAFPYPF-UHFFFAOYSA-N 0 0 304.412 0.674 10 0 DCAERN CNc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cs1 ZINC000708836820 667443969 /nfs/dbraw/zinc/44/39/69/667443969.db2.gz PYDUAMGFWYUSMO-BDAKNGLRSA-N 0 0 315.420 0.977 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)COc1cccc(Br)c1 ZINC000717304304 667543777 /nfs/dbraw/zinc/54/37/77/667543777.db2.gz MBOGJVGRUHBXPU-GZMMTYOYSA-N 0 0 318.167 0.686 10 0 DCAERN C[C@H]1c2sccc2CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000712275949 667582719 /nfs/dbraw/zinc/58/27/19/667582719.db2.gz GCNHNUQNFRAIRX-JTQLQIEISA-N 0 0 301.437 0.817 10 0 DCAERN Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1nc(N(C)C)no1 ZINC000886031232 667726007 /nfs/dbraw/zinc/72/60/07/667726007.db2.gz QXZLYHOKRQQQAN-WCQYABFASA-N 0 0 306.370 0.797 10 0 DCAERN CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2cnnn2C)cn1 ZINC000886079118 667729626 /nfs/dbraw/zinc/72/96/26/667729626.db2.gz LKKPOZYLLZHRHU-SMDDNHRTSA-N 0 0 318.381 0.929 10 0 DCAERN CCn1ccnc(N2CCC[C@@](O)(Cc3nc(C)no3)C2)c1=O ZINC000886079358 667729761 /nfs/dbraw/zinc/72/97/61/667729761.db2.gz URAKICGSLGJYFK-OAHLLOKOSA-N 0 0 319.365 0.529 10 0 DCAERN C[C@@H](Oc1ccccn1)C(=O)N1CC(c2cc(CO)on2)C1 ZINC000886085697 667730125 /nfs/dbraw/zinc/73/01/25/667730125.db2.gz KSDFUBXIRUTKPI-SNVBAGLBSA-N 0 0 303.318 0.955 10 0 DCAERN C/C(=C/C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096905 667731874 /nfs/dbraw/zinc/73/18/74/667731874.db2.gz OBELPBRGIDRZKE-DMIOIOJGSA-N 0 0 308.378 0.731 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC1CCC2(CC1)OCCO2 ZINC000741078081 667758265 /nfs/dbraw/zinc/75/82/65/667758265.db2.gz SNZOQNOFAVISOS-HXUWFJFHSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC1CCC(C(=O)OC)CC1 ZINC000741086354 667758716 /nfs/dbraw/zinc/75/87/16/667758716.db2.gz HBHQRCPPMMQCKY-DMHKYTTOSA-N 0 0 304.412 0.786 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000134033273 668165776 /nfs/dbraw/zinc/16/57/76/668165776.db2.gz UCAXLMJVBULTDY-QMMMGPOBSA-N 0 0 319.770 0.854 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)c1cc(C(N)=O)cn1C ZINC000125619109 668383887 /nfs/dbraw/zinc/38/38/87/668383887.db2.gz BXSAIQXKEXJZLW-CYBMUJFWSA-N 0 0 317.345 0.596 10 0 DCAERN C[C@H](c1ccc(F)nc1)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000930330548 668996984 /nfs/dbraw/zinc/99/69/84/668996984.db2.gz ZUMCUFFSEWOMBI-DGCLKSJQSA-N 0 0 310.373 0.400 10 0 DCAERN Cn1cnn(CN2CCC(NC(=O)C3CCCCC3)CC2)c1=O ZINC000131622570 669675670 /nfs/dbraw/zinc/67/56/70/669675670.db2.gz LWTAOYXGYOINCY-UHFFFAOYSA-N 0 0 321.425 0.700 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(Cn2nc3cnccn3c2=O)C1 ZINC000132206945 669709145 /nfs/dbraw/zinc/70/91/45/669709145.db2.gz ONEJDRWUBJBPJY-GFCCVEGCSA-N 0 0 318.381 0.229 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159012331 669932206 /nfs/dbraw/zinc/93/22/06/669932206.db2.gz KSKCRFJQAOFHKM-STQMWFEESA-N 0 0 305.334 0.896 10 0 DCAERN COC(=O)Cn1cc(CCn2nnc(-c3cccs3)n2)nn1 ZINC000159382745 669936733 /nfs/dbraw/zinc/93/67/33/669936733.db2.gz KWVBLHUDMYGGTK-UHFFFAOYSA-N 0 0 319.350 0.409 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C(N)=O)C(C)C)c(Cl)n1 ZINC000190871443 669941677 /nfs/dbraw/zinc/94/16/77/669941677.db2.gz ANSWLIIHLYDMMA-VIFPVBQESA-N 0 0 305.787 0.832 10 0 DCAERN O=c1c2ccccc2nnn1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000191421482 670021161 /nfs/dbraw/zinc/02/11/61/670021161.db2.gz DAAJWNGGZCKNCM-GFCCVEGCSA-N 0 0 314.267 0.748 10 0 DCAERN C#CCN(CC#C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000076185491 670106636 /nfs/dbraw/zinc/10/66/36/670106636.db2.gz GRTKDHPDNAHEIS-UHFFFAOYSA-N 0 0 304.371 0.597 10 0 DCAERN COC(=O)N(C)CCNCc1cn(C)nc1Br ZINC000712461526 670148824 /nfs/dbraw/zinc/14/88/24/670148824.db2.gz ZGQQUNHDXZHIDR-UHFFFAOYSA-N 0 0 305.176 0.970 10 0 DCAERN COCCOC[C@@H](O)CN1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712804789 670150791 /nfs/dbraw/zinc/15/07/91/670150791.db2.gz ZAAQSZGQWBHUKO-WDEREUQCSA-N 0 0 301.305 0.664 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1cn(C)nc1Br ZINC000713822458 670170475 /nfs/dbraw/zinc/17/04/75/670170475.db2.gz QKPKPCJWNUPKFR-DTWKUNHWSA-N 0 0 318.171 0.291 10 0 DCAERN Cn1cc(CN2CCS(=O)(=O)CC2)c(Br)n1 ZINC000713862622 670171037 /nfs/dbraw/zinc/17/10/37/670171037.db2.gz BOKYXZFDCQEHSW-UHFFFAOYSA-N 0 0 308.201 0.413 10 0 DCAERN CCc1ccsc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714300684 670183284 /nfs/dbraw/zinc/18/32/84/670183284.db2.gz YWRWHGNNNUAMKD-UHFFFAOYSA-N 0 0 303.409 0.190 10 0 DCAERN COC(=O)C1(O)CN(c2ccc(Br)c(C)n2)C1 ZINC000714462513 670189134 /nfs/dbraw/zinc/18/91/34/670189134.db2.gz PBKZEUPSMGXLCU-UHFFFAOYSA-N 0 0 301.140 0.877 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000714471002 670189677 /nfs/dbraw/zinc/18/96/77/670189677.db2.gz BUWXFTSBEOLVAM-UHFFFAOYSA-N 0 0 323.729 0.388 10 0 DCAERN COCc1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1 ZINC000192941234 670206936 /nfs/dbraw/zinc/20/69/36/670206936.db2.gz WJFQPNVANUIUJU-UHFFFAOYSA-N 0 0 302.334 0.821 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCCCC23OCCO3)nn1 ZINC000716015558 670231062 /nfs/dbraw/zinc/23/10/62/670231062.db2.gz MIUZIUBNTKGFHG-NSHDSACASA-N 0 0 313.379 0.749 10 0 DCAERN CCO[C@H]1C[C@@H]1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000193180666 670250353 /nfs/dbraw/zinc/25/03/53/670250353.db2.gz MFDRXBSYLJWGCE-KOLCDFICSA-N 0 0 306.322 0.098 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1C ZINC000716626964 670267498 /nfs/dbraw/zinc/26/74/98/670267498.db2.gz AGPUMNLKQSDHIS-JTQLQIEISA-N 0 0 300.384 0.310 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1ccnc(Br)c1 ZINC000716805755 670273671 /nfs/dbraw/zinc/27/36/71/670273671.db2.gz YAINKBUJSLJSAW-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000190188204 670390869 /nfs/dbraw/zinc/39/08/69/670390869.db2.gz LDTIRQPVBOCYOE-ZDUSSCGKSA-N 0 0 300.322 0.373 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1C ZINC000190605401 670466148 /nfs/dbraw/zinc/46/61/48/670466148.db2.gz UZTDQORAKOVMLH-HUUCEWRRSA-N 0 0 322.430 0.936 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@H]2CCC(C)(C)O2)c(=O)n(C)c1=O ZINC000190653906 670472850 /nfs/dbraw/zinc/47/28/50/670472850.db2.gz BXHOVCQUZKGVKP-BTDICHCPSA-N 0 0 322.361 0.598 10 0 DCAERN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000109220352 670903791 /nfs/dbraw/zinc/90/37/91/670903791.db2.gz ULDCJMIKYPJROO-UONOGXRCSA-N 0 0 316.357 0.857 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)OC[C@@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000115737793 670964530 /nfs/dbraw/zinc/96/45/30/670964530.db2.gz VWAWUAOIPMNRII-ZLDLUXBVSA-N 0 0 321.377 0.909 10 0 DCAERN COCCN1CCN(CN2c3ccccc3C(=O)C2=O)C[C@@H]1C ZINC000117323199 671192847 /nfs/dbraw/zinc/19/28/47/671192847.db2.gz MKJLECJGVHSKLL-ZDUSSCGKSA-N 0 0 317.389 0.826 10 0 DCAERN C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)O1 ZINC000398075541 1158113373 /nfs/dbraw/zinc/11/33/73/1158113373.db2.gz INXZNLXMLLKURQ-BDAKNGLRSA-N 0 0 318.420 0.622 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C(C)C)C1 ZINC000101580549 671773881 /nfs/dbraw/zinc/77/38/81/671773881.db2.gz RSBTVJYBBGIHBO-LBPRGKRZSA-N 0 0 305.444 0.952 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCOc2ccc(C=O)cc2)C1 ZINC000121441792 671826356 /nfs/dbraw/zinc/82/63/56/671826356.db2.gz JFONUZCGEMZYJC-UHFFFAOYSA-N 0 0 304.346 0.863 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1ccccc1C(N)=O ZINC000104074869 671906092 /nfs/dbraw/zinc/90/60/92/671906092.db2.gz JTYVTEJMMWHZGS-QWRGUYRKSA-N 0 0 318.377 0.310 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000389251603 685256959 /nfs/dbraw/zinc/25/69/59/685256959.db2.gz DGRHTBIZVUCIKZ-GOSISDBHSA-N 0 0 301.393 0.309 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000412816077 685276813 /nfs/dbraw/zinc/27/68/13/685276813.db2.gz BQSVZIMSAJMCKV-BBBLOLIVSA-N 0 0 308.350 0.573 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416352974 685278484 /nfs/dbraw/zinc/27/84/84/685278484.db2.gz WAFNLZPHCVQGAF-UWVGGRQHSA-N 0 0 307.366 0.363 10 0 DCAERN C[C@@H]1CO[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000718557879 685305352 /nfs/dbraw/zinc/30/53/52/685305352.db2.gz HRYLCHJSGYXFEF-CBAPKCEASA-N 0 0 304.393 0.437 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2c[nH]cn2)c(Br)n1 ZINC000720101393 685312358 /nfs/dbraw/zinc/31/23/58/685312358.db2.gz URDIUUOZNNAPPS-UHFFFAOYSA-N 0 0 320.172 0.384 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCO[C@H](C)CC1 ZINC000720409317 685313486 /nfs/dbraw/zinc/31/34/86/685313486.db2.gz LGMBVZBXSOIMEU-MRVPVSSYSA-N 0 0 320.392 0.729 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CCC(=O)N2)c(Br)n1 ZINC000720666620 685314569 /nfs/dbraw/zinc/31/45/69/685314569.db2.gz BBOXXMAOCVJUNY-SSDOTTSWSA-N 0 0 301.144 0.077 10 0 DCAERN Cn1cc(CNC(=O)c2cnn(C)c2N)c(Br)n1 ZINC000720631592 685314583 /nfs/dbraw/zinc/31/45/83/685314583.db2.gz FWEOTIBXVRREPQ-UHFFFAOYSA-N 0 0 313.159 0.428 10 0 DCAERN CCOc1nccnc1NC[C@@]1(OC)CCS(=O)(=O)C1 ZINC000721188747 685318255 /nfs/dbraw/zinc/31/82/55/685318255.db2.gz ZAVAXBWTNWDGQC-LBPRGKRZSA-N 0 0 301.368 0.491 10 0 DCAERN CC(C)COCCC(=O)Oc1cccc(C(=O)NCC(N)=O)c1 ZINC000734717237 685323143 /nfs/dbraw/zinc/32/31/43/685323143.db2.gz HHEUMUREHADTHO-UHFFFAOYSA-N 0 0 322.361 0.870 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000037991742 685056572 /nfs/dbraw/zinc/05/65/72/685056572.db2.gz SFLWPBHXQCMKEW-SFYZADRCSA-N 0 0 320.802 0.348 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CSC(=O)N2)cc1 ZINC000040378186 685057931 /nfs/dbraw/zinc/05/79/31/685057931.db2.gz DFZFUOBYGLZYBH-MRVPVSSYSA-N 0 0 301.349 0.098 10 0 DCAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CCC(=O)NC1=O ZINC000089333077 685093825 /nfs/dbraw/zinc/09/38/25/685093825.db2.gz YNCIEEJXAIVFRD-QWRGUYRKSA-N 0 0 310.737 0.685 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCC[C@@H]1CCCO1 ZINC000177945722 685150143 /nfs/dbraw/zinc/15/01/43/685150143.db2.gz WHAUSXYYOXPEGU-NSHDSACASA-N 0 0 318.329 0.802 10 0 DCAERN CC(C)C[C@@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000245442916 685157000 /nfs/dbraw/zinc/15/70/00/685157000.db2.gz IJGKNBCEPNFWHJ-CHWSQXEVSA-N 0 0 317.455 0.462 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCN1CC(F)(F)F ZINC000245761379 685158768 /nfs/dbraw/zinc/15/87/68/685158768.db2.gz ZPHIBJZRRIEPGQ-JGVFFNPUSA-N 0 0 311.329 0.906 10 0 DCAERN CCCCC[C@H](C)NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246900788 685167507 /nfs/dbraw/zinc/16/75/07/685167507.db2.gz AIBUWNQXQSECMR-QWHCGFSZSA-N 0 0 319.471 0.695 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000248227749 685174093 /nfs/dbraw/zinc/17/40/93/685174093.db2.gz QBLSAZXEDPNHES-RAIGVLPGSA-N 0 0 310.350 0.455 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCO[C@@H](C)C2)CC[S@@]1=O ZINC000248907193 685177296 /nfs/dbraw/zinc/17/72/96/685177296.db2.gz BINPVNHZRPPDTL-ZSEKCTLFSA-N 0 0 316.467 0.857 10 0 DCAERN CC(C)[C@]1(C)CC(=O)N(CN2CCO[C@@]3(CCOC3)C2)C1=O ZINC000248918141 685177721 /nfs/dbraw/zinc/17/77/21/685177721.db2.gz DOJQRIUDJHUGPZ-HOTGVXAUSA-N 0 0 310.394 0.856 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCO[C@H]2c2ccccc2)C1 ZINC000283529527 685200801 /nfs/dbraw/zinc/20/08/01/685200801.db2.gz GIYHRVFLKFPNNU-KBPBESRZSA-N 0 0 318.377 0.839 10 0 DCAERN Cc1nc(C)c(CNCCS(=O)(=O)N2CCOCC2)o1 ZINC000380463794 685238002 /nfs/dbraw/zinc/23/80/02/685238002.db2.gz PRQAZBBYTAESLZ-UHFFFAOYSA-N 0 0 303.384 0.043 10 0 DCAERN COc1cc(=NS(=O)(=O)c2cnc(Cl)c(F)c2)[nH]n1C ZINC000380831887 685238102 /nfs/dbraw/zinc/23/81/02/685238102.db2.gz TZAVAZFGNWNIGJ-UHFFFAOYSA-N 0 0 320.733 0.839 10 0 DCAERN COCC[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000381962714 685239654 /nfs/dbraw/zinc/23/96/54/685239654.db2.gz HOWOOBDEWUBSFG-HOTGVXAUSA-N 0 0 321.421 0.367 10 0 DCAERN CCC(=O)NC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000040329725 1157395000 /nfs/dbraw/zinc/39/50/00/1157395000.db2.gz SUEPXCDDPHIVEU-UHFFFAOYSA-N 0 0 311.407 0.948 10 0 DCAERN NC(=O)CN1CCC(NC(=O)c2ccc(Cl)cc2N)CC1 ZINC000040335989 1157395458 /nfs/dbraw/zinc/39/54/58/1157395458.db2.gz KWFZMNXEGDSZBL-UHFFFAOYSA-N 0 0 310.785 0.602 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040335285 1157395707 /nfs/dbraw/zinc/39/57/07/1157395707.db2.gz KXZWUFDDICGGLQ-UHFFFAOYSA-N 0 0 317.798 0.640 10 0 DCAERN CNC(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000397398019 1158099176 /nfs/dbraw/zinc/09/91/76/1158099176.db2.gz HOJZFUJSJXKBCB-UHFFFAOYSA-N 0 0 300.702 0.907 10 0 DCAERN Cn1ccc([C@@H]2CCCN(C(=O)c3nc4ncccn4n3)C2)n1 ZINC000585388631 1158111419 /nfs/dbraw/zinc/11/14/19/1158111419.db2.gz KCFZRXYKTUPQKL-LLVKDONJSA-N 0 0 311.349 0.878 10 0 DCAERN CC(=O)N(CCCNC(=O)Cc1nc2ncccn2n1)C(C)C ZINC000044617233 1171572826 /nfs/dbraw/zinc/57/28/26/1171572826.db2.gz BBLNCQCXZAWQID-UHFFFAOYSA-N 0 0 318.381 0.430 10 0 DCAERN C#CCN(C(=S)NC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000054974973 1171861600 /nfs/dbraw/zinc/86/16/00/1171861600.db2.gz GPYKZWOEDSODNV-VXGBXAGGSA-N 0 0 316.448 0.162 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1nnc2ccccc21 ZINC000066649817 1173763001 /nfs/dbraw/zinc/76/30/01/1173763001.db2.gz VAQPPEUYXKMYTC-LBPRGKRZSA-N 0 0 319.390 0.421 10 0 DCAERN O=C(CNC(=O)c1ccccc1Cl)NCCc1nnc[nH]1 ZINC000080580228 1174479469 /nfs/dbraw/zinc/47/94/69/1174479469.db2.gz NRVZJRRBYVVGBT-UHFFFAOYSA-N 0 0 307.741 0.547 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)[C@H](O)C2)c1CC ZINC000090147018 1175385010 /nfs/dbraw/zinc/38/50/10/1175385010.db2.gz UCQBUQWBUSEYIP-QMTHXVAHSA-N 0 0 322.409 0.807 10 0 DCAERN CCc1cc(C(=O)NCCNC(=O)c2ccccc2O)[nH]n1 ZINC000097667450 1175931329 /nfs/dbraw/zinc/93/13/29/1175931329.db2.gz JLDAOQDLUKQHSB-UHFFFAOYSA-N 0 0 302.334 0.838 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1cc(Br)ccc1N ZINC000123753091 1177066792 /nfs/dbraw/zinc/06/67/92/1177066792.db2.gz WFRUGOWFZJSPAY-UHFFFAOYSA-N 0 0 321.196 0.806 10 0 DCAERN COC[C@@H](CO)NC(=O)c1ccc(Br)cc1N ZINC000229124770 1177520323 /nfs/dbraw/zinc/52/03/23/1177520323.db2.gz VGYSBIPRENGSCO-MRVPVSSYSA-N 0 0 303.156 0.768 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1cc(Cl)ccc1N ZINC000224024739 1180537853 /nfs/dbraw/zinc/53/78/53/1180537853.db2.gz XNHNKRWDGHHLGG-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1cccc(Cl)c1N ZINC000155928026 1180556439 /nfs/dbraw/zinc/55/64/39/1180556439.db2.gz ONRXGMGNHPZTIP-UHFFFAOYSA-N 0 0 314.725 0.710 10 0 DCAERN O=C(CNC(=O)c1ccccc1Cl)NCC(F)(F)CO ZINC000231902642 1180557322 /nfs/dbraw/zinc/55/73/22/1180557322.db2.gz IGTVHPKDZYZULI-UHFFFAOYSA-N 0 0 306.696 0.814 10 0 DCAERN NC(=O)[C@@H]1CCN(C(=O)c2cc(Br)ccc2N)C1 ZINC000236254817 1180567112 /nfs/dbraw/zinc/56/71/12/1180567112.db2.gz QGHVPDYCHZWMPF-SSDOTTSWSA-N 0 0 312.167 0.979 10 0 DCAERN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OC ZINC000238322815 1182239331 /nfs/dbraw/zinc/23/93/31/1182239331.db2.gz DGEZNFGBRYPCBX-VHSXEESVSA-N 0 0 318.370 0.594 10 0 DCAERN CC(=O)Nc1cccc(C(=O)NCCNC(=O)[C@H]2CCCO2)c1 ZINC000169841704 1183609780 /nfs/dbraw/zinc/60/97/80/1183609780.db2.gz WVBKZRTXBWWKRM-CQSZACIVSA-N 0 0 319.361 0.670 10 0 DCAERN CC(C)N1C[C@@H](C(=O)NCCNC(=O)c2ccccn2)CC1=O ZINC000169840714 1183609964 /nfs/dbraw/zinc/60/99/64/1183609964.db2.gz FJZBBHVKRUAMBJ-LBPRGKRZSA-N 0 0 318.377 0.185 10 0 DCAERN Cc1noc([C@@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000172267033 1183829983 /nfs/dbraw/zinc/82/99/83/1183829983.db2.gz POEYARABJARFSB-WPRPVWTQSA-N 0 0 318.399 0.807 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCOC[C@@H]1CCOC1 ZINC000172561560 1183859842 /nfs/dbraw/zinc/85/98/42/1183859842.db2.gz WHTQZXLPVSEJMV-ZDUSSCGKSA-N 0 0 318.377 0.991 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccccc1F ZINC000175417261 1184092360 /nfs/dbraw/zinc/09/23/60/1184092360.db2.gz ODOMIFPPEGNYNG-GFCCVEGCSA-N 0 0 318.370 0.257 10 0 DCAERN Cc1noc([C@H](NC(=O)NCC(=O)NCC2CC2)C(C)C)n1 ZINC000182019636 1185184472 /nfs/dbraw/zinc/18/44/72/1185184472.db2.gz GHRMVRHUYXOFCW-GFCCVEGCSA-N 0 0 309.370 0.901 10 0 DCAERN CN(C[C@@H]1CCCOC1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189329988 1187889999 /nfs/dbraw/zinc/88/99/99/1187889999.db2.gz KSQLIIOCPHDAAR-JTQLQIEISA-N 0 0 302.334 0.817 10 0 DCAERN CCOC[C@@H]1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000190078740 1187955074 /nfs/dbraw/zinc/95/50/74/1187955074.db2.gz GEJRANMOPXUNHJ-SNVBAGLBSA-N 0 0 302.334 0.817 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307895122 1190384298 /nfs/dbraw/zinc/38/42/98/1190384298.db2.gz OTOOFNSJEWHBME-QMMMGPOBSA-N 0 0 300.380 0.562 10 0 DCAERN Nc1ccc(Cl)cc1C(=O)NCCCCS(N)(=O)=O ZINC000311914313 1190393134 /nfs/dbraw/zinc/39/31/34/1190393134.db2.gz RMTKKINEGKHUGW-UHFFFAOYSA-N 0 0 305.787 0.721 10 0 DCAERN NC(=O)[C@@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000380067351 1190699126 /nfs/dbraw/zinc/69/91/26/1190699126.db2.gz PPYUPRLGPSNJLR-LURJTMIESA-N 0 0 322.546 0.074 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)N1CCNC(=O)C1 ZINC000380977644 1190699258 /nfs/dbraw/zinc/69/92/58/1190699258.db2.gz BWSRBHGPBOLDEC-UHFFFAOYSA-N 0 0 316.130 0.742 10 0 DCAERN O=C(c1cccn1Cc1ccccc1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388079933 1190699928 /nfs/dbraw/zinc/69/99/28/1190699928.db2.gz IJUZYWWOEOEMIF-OKILXGFUSA-N 0 0 323.352 0.881 10 0 DCAERN CN1C[C@@H](NC(=O)c2cc(Br)ccc2N)C(=O)N1 ZINC000393917662 1190702000 /nfs/dbraw/zinc/70/20/00/1190702000.db2.gz YFILHQOJHRWTSV-SECBINFHSA-N 0 0 313.155 0.106 10 0 DCAERN NC(=O)c1coc(CNC=C2C(=O)NC(=O)c3ccccc32)c1 ZINC000588523054 747402539 /nfs/dbraw/zinc/40/25/39/747402539.db2.gz VLHBVPMXHXSCEY-QPEQYQDCSA-N 0 0 311.297 0.779 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](C)[C@@H]1CO ZINC000588553609 747435579 /nfs/dbraw/zinc/43/55/79/747435579.db2.gz DJQAXWUXNDDYGN-DYEKYZERSA-N 0 0 306.410 0.917 10 0 DCAERN C[C@H](NC(=O)/C=C\c1cncc(O)c1)c1nnnn1C1CC1 ZINC000588586557 747500721 /nfs/dbraw/zinc/50/07/21/747500721.db2.gz CGVUZUMQDYXBLV-ANTNXHBISA-N 0 0 300.322 0.999 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)c1cc(Br)ccc1N ZINC000123918370 768648376 /nfs/dbraw/zinc/64/83/76/768648376.db2.gz XTDQBXBDSXQHAS-ZCFIWIBFSA-N 0 0 300.156 0.896 10 0 DCAERN COC1(CO)CCN(S(=O)(=O)c2cccnc2F)CC1 ZINC000402872720 774093557 /nfs/dbraw/zinc/09/35/57/774093557.db2.gz WMEKLAJWJMLGSO-UHFFFAOYSA-N 0 0 304.343 0.383 10 0 DCAERN CCOC(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)OCC ZINC000407407731 774261775 /nfs/dbraw/zinc/26/17/75/774261775.db2.gz URODWAJQJICNRZ-LLVKDONJSA-N 0 0 307.412 0.811 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725005703 950704123 /nfs/dbraw/zinc/70/41/23/950704123.db2.gz LFQIAJKIACLHES-SECBINFHSA-N 0 0 317.798 0.759 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000690816779 954676929 /nfs/dbraw/zinc/67/69/29/954676929.db2.gz DZOMBIICMWAAHN-NWDGAFQWSA-N 0 0 304.412 0.455 10 0 DCAERN COC[C@@]1(C(=O)[O-])CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000696833179 954818799 /nfs/dbraw/zinc/81/87/99/954818799.db2.gz QPIIDSGYFCGFLU-CYBMUJFWSA-N 0 0 305.396 0.234 10 0 DCAERN C[C@@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C(=O)[O-] ZINC000690820618 968905390 /nfs/dbraw/zinc/90/53/90/968905390.db2.gz XLJDUCCKLBAYIA-WOPDTQHZSA-N 0 0 304.412 0.453 10 0 DCAERN C[C@]1(C(=O)[O-])CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000690819723 976337864 /nfs/dbraw/zinc/33/78/64/976337864.db2.gz WPTQGYVHCWPRCT-AAEUAGOBSA-N 0 0 304.412 0.455 10 0 DCAERN CC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000074612843 185002987 /nfs/dbraw/zinc/00/29/87/185002987.db2.gz LIOLVSQBBBOFSW-DOMZBBRYSA-N 0 0 309.414 0.849 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)c(C)o1 ZINC000081782802 192322349 /nfs/dbraw/zinc/32/23/49/192322349.db2.gz MNUNRMBZPJCISG-RKDXNWHRSA-N 0 0 316.379 0.746 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000079129321 185159520 /nfs/dbraw/zinc/15/95/20/185159520.db2.gz DGPZHJWXONBMPY-LBPRGKRZSA-N 0 0 309.414 0.671 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)nc(C)n1 ZINC000328633310 231269689 /nfs/dbraw/zinc/26/96/89/231269689.db2.gz SLGPATYWKOZULC-AWEZNQCLSA-N 0 0 314.393 0.956 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000179397115 529508414 /nfs/dbraw/zinc/50/84/14/529508414.db2.gz KCOSEJRAWPTERC-CABCVRRESA-N 0 0 311.426 0.160 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000090063347 185280324 /nfs/dbraw/zinc/28/03/24/185280324.db2.gz ASWDGVPVBMIWLT-LLVKDONJSA-N 0 0 306.366 0.319 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CSCC(F)(F)F)C1 ZINC000090634446 185307362 /nfs/dbraw/zinc/30/73/62/185307362.db2.gz RGQVJFPAEBXYIY-SSDOTTSWSA-N 0 0 320.358 0.432 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)NCC1CC1 ZINC000181470863 199302121 /nfs/dbraw/zinc/30/21/21/199302121.db2.gz IQHSQSGOSQODQY-NSHDSACASA-N 0 0 320.397 0.501 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)OCC(C)C)CC2)n1 ZINC000181450312 199298884 /nfs/dbraw/zinc/29/88/84/199298884.db2.gz KKEJVHTZJWUQBC-UHFFFAOYSA-N 0 0 308.382 0.806 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H]2CCC(C)(C)O2)cn1 ZINC000189276689 529876680 /nfs/dbraw/zinc/87/66/80/529876680.db2.gz UEFNNJHOSOHLAT-LLVKDONJSA-N 0 0 309.370 0.708 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C)C(C)C ZINC000179079831 529895859 /nfs/dbraw/zinc/89/58/59/529895859.db2.gz KPGMARCJLCOUGH-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000329152201 282309594 /nfs/dbraw/zinc/30/95/94/282309594.db2.gz ANBFLXPFYHKAND-QWHCGFSZSA-N 0 0 305.382 0.088 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000158739280 529923853 /nfs/dbraw/zinc/92/38/53/529923853.db2.gz FVZDLLSAIXASAV-NWDGAFQWSA-N 0 0 310.398 0.307 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000050638425 190680408 /nfs/dbraw/zinc/68/04/08/190680408.db2.gz XIGNHGMUEZILBS-CYBMUJFWSA-N 0 0 307.325 0.891 10 0 DCAERN CCN(C(=O)c1ccc(-c2ncon2)cc1)[C@H]1CC(=O)NC1=O ZINC000107239196 185472808 /nfs/dbraw/zinc/47/28/08/185472808.db2.gz YUUINPDWPVBUKX-NSHDSACASA-N 0 0 314.301 0.614 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)NC(C)=O)CCS1(=O)=O ZINC000408378384 282362794 /nfs/dbraw/zinc/36/27/94/282362794.db2.gz DNNPFURAYQYKOM-SNVBAGLBSA-N 0 0 304.412 0.327 10 0 DCAERN CCOCCN(CC)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000107495478 185482283 /nfs/dbraw/zinc/48/22/83/185482283.db2.gz LKDCSEOZAZOOGO-UHFFFAOYSA-N 0 0 307.354 0.015 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCCO1 ZINC000157144769 299113722 /nfs/dbraw/zinc/11/37/22/299113722.db2.gz UTOKBUHKVZRNAO-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000272645868 210051252 /nfs/dbraw/zinc/05/12/52/210051252.db2.gz JCFNRKABVFVXDW-QWRGUYRKSA-N 0 0 320.397 0.246 10 0 DCAERN CNC(=O)CN1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000286952974 219241646 /nfs/dbraw/zinc/24/16/46/219241646.db2.gz MRAGEBHNTPCOOZ-UHFFFAOYSA-N 0 0 303.341 0.637 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCCCOCc1ccccc1 ZINC000083601198 192375698 /nfs/dbraw/zinc/37/56/98/192375698.db2.gz FWQKPFYLGLLFBK-UHFFFAOYSA-N 0 0 314.407 0.649 10 0 DCAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000371612068 282636654 /nfs/dbraw/zinc/63/66/54/282636654.db2.gz QNBBVSYJUCZSMA-GFCCVEGCSA-N 0 0 323.422 0.753 10 0 DCAERN O=C(Nc1ccc(CCc2ccccn2)cc1)[C@@H]1CNCC(=O)N1 ZINC000071765352 191027550 /nfs/dbraw/zinc/02/75/50/191027550.db2.gz AMVWQKODMGIQOL-INIZCTEOSA-N 0 0 324.384 0.893 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)CCNC(N)=O)CC1 ZINC000150248661 186055966 /nfs/dbraw/zinc/05/59/66/186055966.db2.gz LFIVTYQMFKQWAH-UHFFFAOYSA-N 0 0 320.393 0.839 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC[C@H]2c2cnn(C)c2)n1 ZINC000173315060 186175428 /nfs/dbraw/zinc/17/54/28/186175428.db2.gz AXUZYIXAWUEWRV-NSHDSACASA-N 0 0 302.386 0.590 10 0 DCAERN C[C@H]1CN(C(=O)NCCc2cccnc2)C[C@H]1N1CCOCC1 ZINC000175653248 186185129 /nfs/dbraw/zinc/18/51/29/186185129.db2.gz UGVMNZTYNZZRMU-GOEBONIOSA-N 0 0 318.421 0.986 10 0 DCAERN O[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc3nnnn3n2)C1 ZINC000253396614 186305444 /nfs/dbraw/zinc/30/54/44/186305444.db2.gz PSVUCDIDDVVYBD-NWDGAFQWSA-N 0 0 300.297 0.971 10 0 DCAERN CC[C@@H](C(=O)OC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000171629169 197956723 /nfs/dbraw/zinc/95/67/23/197956723.db2.gz VDTUPVMGPWJLRJ-NSHDSACASA-N 0 0 304.354 0.198 10 0 DCAERN CCN1CC(=O)N([C@@H]2CCCN(c3cc(C)nn3C)C2)C1=O ZINC000280071967 215354172 /nfs/dbraw/zinc/35/41/72/215354172.db2.gz LBKHNUFGRXIOOB-GFCCVEGCSA-N 0 0 305.382 0.981 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000172011076 198025341 /nfs/dbraw/zinc/02/53/41/198025341.db2.gz JJMCXTIVBSWBJX-UHFFFAOYSA-N 0 0 321.425 0.633 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000172034970 198029209 /nfs/dbraw/zinc/02/92/09/198029209.db2.gz SCKRCYLUEPDFDE-NSHDSACASA-N 0 0 318.420 0.307 10 0 DCAERN Cc1cnc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000172048771 198031018 /nfs/dbraw/zinc/03/10/18/198031018.db2.gz HHARLAZSNUGEBI-MRVPVSSYSA-N 0 0 304.397 0.607 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000172533936 198110864 /nfs/dbraw/zinc/11/08/64/198110864.db2.gz JKGGBVGDRRVMIS-NSHDSACASA-N 0 0 318.333 0.999 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cc[nH]n1 ZINC000172801563 198150797 /nfs/dbraw/zinc/15/07/97/198150797.db2.gz NDBUMIHCNNNGNE-AWEZNQCLSA-N 0 0 300.362 0.768 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173217469 198196817 /nfs/dbraw/zinc/19/68/17/198196817.db2.gz PJLTYJAIOXEXMD-ZDUSSCGKSA-N 0 0 322.336 0.996 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Cc3cc[nH]n3)CCO2)n1 ZINC000173273124 198204918 /nfs/dbraw/zinc/20/49/18/198204918.db2.gz FMFAINHEUSDLMS-AWEZNQCLSA-N 0 0 303.366 0.693 10 0 DCAERN CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000173235147 198198631 /nfs/dbraw/zinc/19/86/31/198198631.db2.gz VDYMUGKJEZJZRI-JTQLQIEISA-N 0 0 312.391 0.720 10 0 DCAERN CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000173235136 198198754 /nfs/dbraw/zinc/19/87/54/198198754.db2.gz VDYMUGKJEZJZRI-SNVBAGLBSA-N 0 0 312.391 0.720 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173700549 198242718 /nfs/dbraw/zinc/24/27/18/198242718.db2.gz SNFJNRQCTKJLKK-LBPRGKRZSA-N 0 0 308.386 0.539 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCC([C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727138 198245324 /nfs/dbraw/zinc/24/53/24/198245324.db2.gz BZRZQHBOECUEOK-TZMCWYRMSA-N 0 0 306.410 0.927 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCC([C@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727161 198245464 /nfs/dbraw/zinc/24/54/64/198245464.db2.gz BZRZQHBOECUEOK-GXTWGEPZSA-N 0 0 306.410 0.927 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000174269433 198313144 /nfs/dbraw/zinc/31/31/44/198313144.db2.gz PUGIBTVOVWVEJL-CYBMUJFWSA-N 0 0 304.346 0.994 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000174816042 198389043 /nfs/dbraw/zinc/38/90/43/198389043.db2.gz XIWMQXVINSOHIO-IJLUTSLNSA-N 0 0 306.366 0.689 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NCC(F)F)CC2)n1 ZINC000073148971 191284029 /nfs/dbraw/zinc/28/40/29/191284029.db2.gz NRUOPFZBRXDEHC-UHFFFAOYSA-N 0 0 301.297 0.582 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1SCCc2sccc21 ZINC000153526515 303831237 /nfs/dbraw/zinc/83/12/37/303831237.db2.gz VDRLBLMVYQZUAZ-KCJUWKMLSA-N 0 0 310.400 1.000 10 0 DCAERN CCOC(=O)c1c(C)csc1NC(=O)Cn1ncn(C)c1=O ZINC000182475789 199446997 /nfs/dbraw/zinc/44/69/97/199446997.db2.gz RDJJDXJIKPFGBH-UHFFFAOYSA-N 0 0 324.362 0.767 10 0 DCAERN CN1CCO[C@H](CN[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000245444118 283025012 /nfs/dbraw/zinc/02/50/12/283025012.db2.gz JJHJSCCFIUUFTR-OCCSQVGLSA-N 0 0 310.419 0.825 10 0 DCAERN Cn1nccc1CNC(=O)N(CCO)CCOCC(F)(F)F ZINC000073714129 191345877 /nfs/dbraw/zinc/34/58/77/191345877.db2.gz QWXSIVVEIXWUAZ-UHFFFAOYSA-N 0 0 324.303 0.503 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000074854048 191373397 /nfs/dbraw/zinc/37/33/97/191373397.db2.gz CIRPSZZUPFQNRY-GXTWGEPZSA-N 0 0 307.398 0.819 10 0 DCAERN CO[C@H]1CN(C(=O)c2c(Br)cnn2C)C[C@@H]1OC ZINC000332663093 235257478 /nfs/dbraw/zinc/25/74/78/235257478.db2.gz GNQMQFOSGBHDIM-IUCAKERBSA-N 0 0 318.171 0.668 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1F ZINC000076351567 191627013 /nfs/dbraw/zinc/62/70/13/191627013.db2.gz DVLGUBZQIZYIDR-LBPRGKRZSA-N 0 0 300.355 0.866 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1F ZINC000076351572 191627467 /nfs/dbraw/zinc/62/74/67/191627467.db2.gz DVLGUBZQIZYIDR-GFCCVEGCSA-N 0 0 300.355 0.866 10 0 DCAERN COc1ccc(CNC(=O)CS(=O)(=O)Cc2ccon2)cc1 ZINC000077654684 191750473 /nfs/dbraw/zinc/75/04/73/191750473.db2.gz NMGGZBJFMOPNRR-UHFFFAOYSA-N 0 0 324.358 0.914 10 0 DCAERN CC(C)N1C(=O)C(=O)N(Cc2cc(-c3cnn(C)c3)no2)C1=O ZINC000183947129 199654530 /nfs/dbraw/zinc/65/45/30/199654530.db2.gz ZMDJIOKOKARNBE-UHFFFAOYSA-N 0 0 317.305 0.774 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@H](C)CO[C@H]3CCOC3)c2n1 ZINC000177374878 198712991 /nfs/dbraw/zinc/71/29/91/198712991.db2.gz HBQMVKSUACERCU-NEPJUHHUSA-N 0 0 304.350 0.962 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc(F)ccc1F)CN1CCOCC1 ZINC000080894305 192199896 /nfs/dbraw/zinc/19/98/96/192199896.db2.gz LRIOJFFUEFPRKX-OAHLLOKOSA-N 0 0 314.332 0.778 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@H](O)COC(=O)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000005645043 181267348 /nfs/dbraw/zinc/26/73/48/181267348.db2.gz YZTNJMSUDMOQJM-WPLOAARJSA-N 0 0 324.329 0.442 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000081608609 192301490 /nfs/dbraw/zinc/30/14/90/192301490.db2.gz POMXRYKAJJSMOG-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@H](O)c1ccccc1OC ZINC000178600245 198894720 /nfs/dbraw/zinc/89/47/20/198894720.db2.gz QHLRGPXPQVZTEO-LBPRGKRZSA-N 0 0 302.396 0.905 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1 ZINC000178630086 198900856 /nfs/dbraw/zinc/90/08/56/198900856.db2.gz UNUMZNUASXLBIT-UHFFFAOYSA-N 0 0 312.391 0.759 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1nc(C)sc1C ZINC000179285840 199009651 /nfs/dbraw/zinc/00/96/51/199009651.db2.gz GDNGHSAABQIWGC-UHFFFAOYSA-N 0 0 305.425 0.819 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(C)CCc1ncc(C)s1 ZINC000179556208 199053889 /nfs/dbraw/zinc/05/38/89/199053889.db2.gz ITCCJAXWKLDFAW-UHFFFAOYSA-N 0 0 305.425 0.392 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)NCC(=O)N1CCOCC1 ZINC000179780571 199080251 /nfs/dbraw/zinc/08/02/51/199080251.db2.gz GDGDBCAVXHPVFL-UHFFFAOYSA-N 0 0 323.368 0.868 10 0 DCAERN Cc1cc(C)c(OCC(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000180219594 199132274 /nfs/dbraw/zinc/13/22/74/199132274.db2.gz SVKRFOVMTBGAEY-CYBMUJFWSA-N 0 0 306.362 0.703 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180337716 199147217 /nfs/dbraw/zinc/14/72/17/199147217.db2.gz VJOJVWFCMYMNOW-OLZOCXBDSA-N 0 0 309.414 0.843 10 0 DCAERN Cc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)s1 ZINC000180316415 199144447 /nfs/dbraw/zinc/14/44/47/199144447.db2.gz PQOKZBYFYUQOIS-QMMMGPOBSA-N 0 0 317.436 0.866 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@H]1CCCOC1 ZINC000180474988 199164538 /nfs/dbraw/zinc/16/45/38/199164538.db2.gz DGRSSABXNLFQIU-JTQLQIEISA-N 0 0 315.333 0.705 10 0 DCAERN COCCOCCS(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180593485 199181167 /nfs/dbraw/zinc/18/11/67/199181167.db2.gz ZSCHWZNHQFZOJB-UHFFFAOYSA-N 0 0 308.787 0.817 10 0 DCAERN CCCc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)n(C)n1 ZINC000180685617 199196580 /nfs/dbraw/zinc/19/65/80/199196580.db2.gz FJFSNJSBXFJUGV-UHFFFAOYSA-N 0 0 318.381 0.632 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ncncc2Cl)O1 ZINC000180703453 199199119 /nfs/dbraw/zinc/19/91/19/199199119.db2.gz IDDVYWRMUCFELA-SCZZXKLOSA-N 0 0 312.757 0.496 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(Cl)cn1 ZINC000180911385 199226867 /nfs/dbraw/zinc/22/68/67/199226867.db2.gz OUYUNGAITQDGDY-MRVPVSSYSA-N 0 0 305.787 0.967 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)N1CCOCC1 ZINC000181084318 199249768 /nfs/dbraw/zinc/24/97/68/199249768.db2.gz VFUQOUYUEZPYSH-OAHLLOKOSA-N 0 0 319.405 0.134 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293136 295980955 /nfs/dbraw/zinc/98/09/55/295980955.db2.gz CIOJFENOIJJJPN-WDEREUQCSA-N 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/nfs/dbraw/zinc/15/67/91/237156791.db2.gz VYQYGHXRGAIPSX-ZJUUUORDSA-N 0 0 305.425 0.629 10 0 DCAERN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@](C)(O)C1 ZINC000175441412 237185290 /nfs/dbraw/zinc/18/52/90/237185290.db2.gz JFWHRBDUTVGQRL-AWEZNQCLSA-N 0 0 302.338 0.959 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)n1 ZINC000186984575 200043373 /nfs/dbraw/zinc/04/33/73/200043373.db2.gz GRXAAHUVMXNEBA-RRFJBIMHSA-N 0 0 308.426 0.974 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCS[C@@H](C(C)C)C1 ZINC000176967681 237205835 /nfs/dbraw/zinc/20/58/35/237205835.db2.gz KFXCLUPTGABRNL-LLVKDONJSA-N 0 0 308.469 0.868 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@@]2(CCOC2)O1 ZINC000281005326 216016228 /nfs/dbraw/zinc/01/62/28/216016228.db2.gz OIZQGOLXIIAHGP-BXUZGUMPSA-N 0 0 312.391 0.837 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCN1CCO ZINC000188871662 237379914 /nfs/dbraw/zinc/37/99/14/237379914.db2.gz VWFGVDFHMBJOMW-SNVBAGLBSA-N 0 0 324.356 0.455 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188773683 237380119 /nfs/dbraw/zinc/38/01/19/237380119.db2.gz MQVGSFLTYLXQJB-LBPRGKRZSA-N 0 0 320.393 0.624 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000187900631 200173008 /nfs/dbraw/zinc/17/30/08/200173008.db2.gz XLWTYCHEUPBBSC-GFCCVEGCSA-N 0 0 307.350 0.786 10 0 DCAERN CC(C)n1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)cn1 ZINC000188107442 200195080 /nfs/dbraw/zinc/19/50/80/200195080.db2.gz AFDWVAVWPANHBT-OAHLLOKOSA-N 0 0 310.398 0.277 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000195150523 237507105 /nfs/dbraw/zinc/50/71/05/237507105.db2.gz FTZCIGDGSKRCKE-NHYWBVRUSA-N 0 0 317.389 0.674 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153650002 291207612 /nfs/dbraw/zinc/20/76/12/291207612.db2.gz CIUHJSLNXLHQIN-MNOVXSKESA-N 0 0 301.350 0.969 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188721657 200294750 /nfs/dbraw/zinc/29/47/50/200294750.db2.gz VXGADWKZQCVSTN-SNVBAGLBSA-N 0 0 320.436 0.444 10 0 DCAERN Cc1nn(CC(=O)N2CCN(CCO)[C@@H](C)C2)c(C)c1Cl ZINC000188729812 200295840 /nfs/dbraw/zinc/29/58/40/200295840.db2.gz CCLYTVMSOXDBHI-JTQLQIEISA-N 0 0 314.817 0.678 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(-c2ncco2)cc1 ZINC000153853684 291208736 /nfs/dbraw/zinc/20/87/36/291208736.db2.gz PIKPHMBAKKFZPB-JTQLQIEISA-N 0 0 300.274 0.878 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000154123969 291211071 /nfs/dbraw/zinc/21/10/71/291211071.db2.gz MMYUJRGCRGTMSO-DGCLKSJQSA-N 0 0 313.361 0.971 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000154542011 291214339 /nfs/dbraw/zinc/21/43/39/291214339.db2.gz OYAMPJHZZACIQN-ZDUSSCGKSA-N 0 0 322.413 0.463 10 0 DCAERN CCOCCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCOCC ZINC000154551578 291214799 /nfs/dbraw/zinc/21/47/99/291214799.db2.gz MXBLNWPRFXDEBI-STQMWFEESA-N 0 0 300.399 0.708 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000154878910 291216053 /nfs/dbraw/zinc/21/60/53/291216053.db2.gz OELBOVFBSMHEDW-DGCLKSJQSA-N 0 0 307.398 0.994 10 0 DCAERN CC(C)[C@H](O)CC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000156489140 291225041 /nfs/dbraw/zinc/22/50/41/291225041.db2.gz WOPDNCUSUBZRNJ-CQSZACIVSA-N 0 0 321.425 0.122 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1cc2ccccc2o1 ZINC000156250790 291224040 /nfs/dbraw/zinc/22/40/40/291224040.db2.gz ZAVLGDBSAXPEPY-NSHDSACASA-N 0 0 301.302 0.690 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000158914583 291232682 /nfs/dbraw/zinc/23/26/82/291232682.db2.gz CXOUIXQFORJXQQ-YPMHNXCESA-N 0 0 313.361 0.971 10 0 DCAERN Cc1nc2ccc(C(=O)N3CCN(C(=O)[C@H](C)O)CC3)cc2o1 ZINC000281442516 216303020 /nfs/dbraw/zinc/30/30/20/216303020.db2.gz FGTXRRQOWRBKKV-JTQLQIEISA-N 0 0 317.345 0.801 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000408101358 283748650 /nfs/dbraw/zinc/74/86/50/283748650.db2.gz LGKDBIVJZSOIHL-MCIGGMRASA-N 0 0 309.366 0.202 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000454966373 240819579 /nfs/dbraw/zinc/81/95/79/240819579.db2.gz JBFYSOWISSWXQA-GRYCIOLGSA-N 0 0 300.403 0.855 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(Br)c1 ZINC000091782068 193106640 /nfs/dbraw/zinc/10/66/40/193106640.db2.gz IGGWBQSSZDUXFC-SSDOTTSWSA-N 0 0 319.180 0.837 10 0 DCAERN Cc1nc(-c2c[nH]c(C(=O)N3CCOC[C@@H]3C(N)=O)c2)cs1 ZINC000091783459 193107963 /nfs/dbraw/zinc/10/79/63/193107963.db2.gz JGOKFYDVARWYEA-GFCCVEGCSA-N 0 0 320.374 0.773 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3cc(F)ccc3C2)C1 ZINC000091891570 193122982 /nfs/dbraw/zinc/12/29/82/193122982.db2.gz ORTSTDQOHZGWDJ-CQSZACIVSA-N 0 0 319.380 0.908 10 0 DCAERN O=C(NCc1cccc(Cl)c1)NC[C@@H](O)Cn1ccnn1 ZINC000457406037 241002855 /nfs/dbraw/zinc/00/28/55/241002855.db2.gz UAOWNQZFXICKEH-GFCCVEGCSA-N 0 0 309.757 0.792 10 0 DCAERN CCC(C)(C)OCC(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000457569163 241018345 /nfs/dbraw/zinc/01/83/45/241018345.db2.gz IFRUGNKTONBASF-UHFFFAOYSA-N 0 0 309.414 0.963 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000489929254 241100867 /nfs/dbraw/zinc/10/08/67/241100867.db2.gz WAIKUIXXUVNOAB-UHFFFAOYSA-N 0 0 304.354 0.427 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000489936736 241102155 /nfs/dbraw/zinc/10/21/55/241102155.db2.gz MLHFRZAFURSRNR-UHFFFAOYSA-N 0 0 318.381 0.506 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@]12CCOC2 ZINC000568015201 291397830 /nfs/dbraw/zinc/39/78/30/291397830.db2.gz OVLBKDUFWHHDDJ-SOUVJXGZSA-N 0 0 301.383 0.034 10 0 DCAERN Cc1ccc(NC(=O)CN2CCOC[C@H]2C(N)=O)c(Cl)c1 ZINC000092228504 193176752 /nfs/dbraw/zinc/17/67/52/193176752.db2.gz UPWLZWOLESAFNI-LBPRGKRZSA-N 0 0 311.769 0.773 10 0 DCAERN CCc1cccc(CC)c1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092229525 193177269 /nfs/dbraw/zinc/17/72/69/193177269.db2.gz HTQIYOZVMZBAKH-AWEZNQCLSA-N 0 0 319.405 0.936 10 0 DCAERN Cc1ccc(Cl)cc1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092230005 193177458 /nfs/dbraw/zinc/17/74/58/193177458.db2.gz DYCNWEMALYGEBU-GFCCVEGCSA-N 0 0 311.769 0.773 10 0 DCAERN COc1cc(N[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)ncn1 ZINC000568581257 291435138 /nfs/dbraw/zinc/43/51/38/291435138.db2.gz ZYRLTHWTPXJQIJ-ABAIWWIYSA-N 0 0 316.365 0.911 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[S@]1=O ZINC000186769867 261121939 /nfs/dbraw/zinc/12/19/39/261121939.db2.gz IDRKHGZFDWWBLQ-NSPYISDASA-N 0 0 323.480 0.817 10 0 DCAERN COC(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000228059689 261153435 /nfs/dbraw/zinc/15/34/35/261153435.db2.gz YQWAZTIKKUGCQI-MRVPVSSYSA-N 0 0 307.759 0.400 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCC([C@H](C)O)CC2)n(C)n1 ZINC000093209495 193216072 /nfs/dbraw/zinc/21/60/72/193216072.db2.gz HWPFHCPSTHQPAZ-NSHDSACASA-N 0 0 322.409 0.931 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)n(C)n1 ZINC000093223335 193217870 /nfs/dbraw/zinc/21/78/70/193217870.db2.gz YFUABIMXZRDLKC-NSHDSACASA-N 0 0 321.381 0.048 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c2=O)s1 ZINC000282378257 216949491 /nfs/dbraw/zinc/94/94/91/216949491.db2.gz NMMWGNBRIAZTMV-MRVPVSSYSA-N 0 0 320.374 0.367 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)CC1=O ZINC000264780637 204150992 /nfs/dbraw/zinc/15/09/92/204150992.db2.gz PRLRDLUREDHVOC-NWDGAFQWSA-N 0 0 317.393 0.797 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCCCCC1 ZINC000288243922 220040408 /nfs/dbraw/zinc/04/04/08/220040408.db2.gz OLSQOYJHWKTANE-LBPRGKRZSA-N 0 0 305.382 0.940 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CC2 ZINC000408038248 284312526 /nfs/dbraw/zinc/31/25/26/284312526.db2.gz LQBVJVRTYIINRM-GHMZBOCLSA-N 0 0 318.377 0.711 10 0 DCAERN CS(=O)(=O)N1CCCN(c2nccnc2OC(F)F)CC1 ZINC000288261786 220049019 /nfs/dbraw/zinc/04/90/19/220049019.db2.gz YMZSBJPJILMZNL-UHFFFAOYSA-N 0 0 322.337 0.550 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCN(c2ccccc2F)CC1 ZINC000015433568 182001641 /nfs/dbraw/zinc/00/16/41/182001641.db2.gz LUVLIXJGIFRNSY-UHFFFAOYSA-N 0 0 304.325 0.740 10 0 DCAERN COC(=O)CCNC(=O)CN(C)CCOc1ccc(C)cc1 ZINC000016422034 182043844 /nfs/dbraw/zinc/04/38/44/182043844.db2.gz GWFPJISDLFBMDO-UHFFFAOYSA-N 0 0 308.378 0.985 10 0 DCAERN [NH3+][C@@H](CS[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O)C(=O)[O-] ZINC000016900360 182063134 /nfs/dbraw/zinc/06/31/34/182063134.db2.gz OKTSLBHSWJQDNJ-UWVGGRQHSA-N 0 0 310.331 0.169 10 0 DCAERN C[C@@H](Oc1ccc(Br)cc1CO)C(=O)NC(N)=O ZINC000020483060 182223157 /nfs/dbraw/zinc/22/31/57/182223157.db2.gz GVYLHGJYUCLRNY-ZCFIWIBFSA-N 0 0 317.139 0.904 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000274476841 211646637 /nfs/dbraw/zinc/64/66/37/211646637.db2.gz MBJIXHXZZBXANM-CYBMUJFWSA-N 0 0 317.393 0.384 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](C)n1nc(C)cc1C ZINC000249352631 291639517 /nfs/dbraw/zinc/63/95/17/291639517.db2.gz KPLZAGODLUYTJP-UPJWGTAASA-N 0 0 309.366 0.586 10 0 DCAERN COc1cncc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000573837718 291658135 /nfs/dbraw/zinc/65/81/35/291658135.db2.gz XOUJICDRNYDJJQ-HIFRSBDPSA-N 0 0 323.368 0.861 10 0 DCAERN C[C@@H](NC(=O)[C@H](N)CC(N)=O)c1cccc(Br)c1 ZINC000037626927 182915039 /nfs/dbraw/zinc/91/50/39/182915039.db2.gz SRFNCZCGDYFUIM-GMSGAONNSA-N 0 0 314.183 0.829 10 0 DCAERN CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796958 183022604 /nfs/dbraw/zinc/02/26/04/183022604.db2.gz YOKVEHGYYQEQOP-GHMZBOCLSA-N 0 0 301.387 0.092 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@@H](O)COCC(C)C)n1 ZINC000102035145 193856549 /nfs/dbraw/zinc/85/65/49/193856549.db2.gz QYVNRERSCUDZQQ-LLVKDONJSA-N 0 0 300.359 0.253 10 0 DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000042483555 183276300 /nfs/dbraw/zinc/27/63/00/183276300.db2.gz VNUINAGRILWXDN-SECBINFHSA-N 0 0 308.787 0.550 10 0 DCAERN CCN(CCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000042816165 183312132 /nfs/dbraw/zinc/31/21/32/183312132.db2.gz GUFFCOAXUWVNTP-ZDUSSCGKSA-N 0 0 318.377 0.617 10 0 DCAERN COc1ccccc1CCN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000104708847 194029720 /nfs/dbraw/zinc/02/97/20/194029720.db2.gz BVDDCPVEVMJPMF-ZDUSSCGKSA-N 0 0 321.421 0.762 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCOc2cccc(F)c2)C1 ZINC000104782814 194039573 /nfs/dbraw/zinc/03/95/73/194039573.db2.gz BYGILRPANJSPLP-CQSZACIVSA-N 0 0 311.357 0.834 10 0 DCAERN Cc1nn(C)c(C)c1Cc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000273928627 211184333 /nfs/dbraw/zinc/18/43/33/211184333.db2.gz HJWSDXSXCDRKLX-ZDUSSCGKSA-N 0 0 302.382 0.683 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC000408220915 296286256 /nfs/dbraw/zinc/28/62/56/296286256.db2.gz ATTIMODVTGLIMR-BXUZGUMPSA-N 0 0 320.455 0.571 10 0 DCAERN O=C([O-])[C@]12C[NH2+]C[C@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC000067804718 304216096 /nfs/dbraw/zinc/21/60/96/304216096.db2.gz MDAHFTUAKSNILP-VFZGTOFNSA-N 0 0 304.350 0.035 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(CC(=O)N1CCOCC1)C2 ZINC000106372313 194202908 /nfs/dbraw/zinc/20/29/08/194202908.db2.gz XAWPKKCLECJHNG-UHFFFAOYSA-N 0 0 306.410 0.760 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1[C@H](C)COC[C@H]1C ZINC000077657838 291741773 /nfs/dbraw/zinc/74/17/73/291741773.db2.gz ZQOONYUWEVADMM-UPJWGTAASA-N 0 0 300.399 0.800 10 0 DCAERN CCS(=O)(=O)CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000110888103 194367062 /nfs/dbraw/zinc/36/70/62/194367062.db2.gz GMWYVWPJUKYQLI-ZDUSSCGKSA-N 0 0 324.402 0.685 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3=COCCO3)CCO2)n1 ZINC000110900132 194367588 /nfs/dbraw/zinc/36/75/88/194367588.db2.gz AVVTVJWRNKNWAB-CYBMUJFWSA-N 0 0 307.350 0.616 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000110954267 194373032 /nfs/dbraw/zinc/37/30/32/194373032.db2.gz SKWDSIFYQKMKTA-HNNXBMFYSA-N 0 0 323.437 0.712 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000111078331 194389138 /nfs/dbraw/zinc/38/91/38/194389138.db2.gz MJHVHDPAJBDKTE-HUUCEWRRSA-N 0 0 320.393 0.369 10 0 DCAERN O=C(NC[C@@]1(O)CCSC1)c1cnc(OCC2CC2)cn1 ZINC000286030885 218756093 /nfs/dbraw/zinc/75/60/93/218756093.db2.gz JENXHBDZBCVZES-AWEZNQCLSA-N 0 0 309.391 0.863 10 0 DCAERN CCN(CC)C(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000060941533 184158307 /nfs/dbraw/zinc/15/83/07/184158307.db2.gz YWTVDYKYEMBLLP-UHFFFAOYSA-N 0 0 312.458 0.387 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000061145418 184162829 /nfs/dbraw/zinc/16/28/29/184162829.db2.gz PRSRHYANRVJJTH-UHFFFAOYSA-N 0 0 316.354 0.607 10 0 DCAERN CS(=O)(=O)c1ccc(S[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000063131456 184272245 /nfs/dbraw/zinc/27/22/45/184272245.db2.gz YTDMNFSTDIZSLX-WDEREUQCSA-N 0 0 322.429 0.340 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000112747105 194517906 /nfs/dbraw/zinc/51/79/06/194517906.db2.gz AGSYFONEPFUWKU-LLVKDONJSA-N 0 0 302.338 0.496 10 0 DCAERN CC[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)N1CCOCC1 ZINC000084218037 252586467 /nfs/dbraw/zinc/58/64/67/252586467.db2.gz ORGXZASVJMSGPT-KBPBESRZSA-N 0 0 322.409 0.815 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)NCc1cscn1 ZINC000175810216 252602426 /nfs/dbraw/zinc/60/24/26/252602426.db2.gz AZPCNLJBOILOGS-UHFFFAOYSA-N 0 0 317.418 0.977 10 0 DCAERN CN1C[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)Cc2ccccc21 ZINC000333011348 252670505 /nfs/dbraw/zinc/67/05/05/252670505.db2.gz BDHWBICRAMZLHE-DOMZBBRYSA-N 0 0 316.405 0.954 10 0 DCAERN CCOC(=O)CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000119614038 195002450 /nfs/dbraw/zinc/00/24/50/195002450.db2.gz WSJLOQNUKSCCOT-UHFFFAOYSA-N 0 0 311.426 0.426 10 0 DCAERN C[C@H](F)CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000339035590 253023998 /nfs/dbraw/zinc/02/39/98/253023998.db2.gz PURIRQBGNLGCBE-QMMMGPOBSA-N 0 0 310.372 0.360 10 0 DCAERN Cn1cc(Br)c(C(=O)N[C@H]2CCC(=O)N(C)C2)n1 ZINC000340581667 253280367 /nfs/dbraw/zinc/28/03/67/253280367.db2.gz SXYYPWUVIPUWNO-ZETCQYMHSA-N 0 0 315.171 0.533 10 0 DCAERN CCn1cnc(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)c1 ZINC000340598206 253282287 /nfs/dbraw/zinc/28/22/87/253282287.db2.gz XALDHDBUCLGPGG-MRVPVSSYSA-N 0 0 301.290 0.495 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000340970313 253329628 /nfs/dbraw/zinc/32/96/28/253329628.db2.gz VBJYHNGPSIPVJW-GFCCVEGCSA-N 0 0 311.382 0.594 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253395674 285122193 /nfs/dbraw/zinc/12/21/93/285122193.db2.gz ZRQYTHSVXXFAPY-STQMWFEESA-N 0 0 303.355 0.910 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCO)C2CC2)c1 ZINC000343711933 253689635 /nfs/dbraw/zinc/68/96/35/253689635.db2.gz ATNGTTWBFUYCOK-UHFFFAOYSA-N 0 0 319.361 0.591 10 0 DCAERN O=C1N[C@@H](c2cc(Cl)c3c(c2)OCCO3)N2CCOC[C@H]12 ZINC000093883564 296387697 /nfs/dbraw/zinc/38/76/97/296387697.db2.gz KNPFIOUPBNYDGW-ZWNOBZJWSA-N 0 0 310.737 0.940 10 0 DCAERN CC(=O)CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346414430 254048427 /nfs/dbraw/zinc/04/84/27/254048427.db2.gz RGFBHZHBOOVGKL-GFCCVEGCSA-N 0 0 319.427 0.133 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000115334089 220443400 /nfs/dbraw/zinc/44/34/00/220443400.db2.gz IZYXHEPZZHZCRC-NEPJUHHUSA-N 0 0 309.366 0.977 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1 ZINC000347449195 254157746 /nfs/dbraw/zinc/15/77/46/254157746.db2.gz OESGYCHHNUNGIS-GFCCVEGCSA-N 0 0 319.361 0.903 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCCOC1)N1CCOCC1 ZINC000347262335 254143434 /nfs/dbraw/zinc/14/34/34/254143434.db2.gz PGZXNIWPOVHRPR-UPJWGTAASA-N 0 0 314.357 0.211 10 0 DCAERN COc1cncc(N2CCN(c3cc(Cl)nc(N)n3)CC2)n1 ZINC000301309665 533131296 /nfs/dbraw/zinc/13/12/96/533131296.db2.gz XVWJRGFCOYRFGJ-UHFFFAOYSA-N 0 0 321.772 0.837 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC[C@H](O)C(F)(F)F)C1 ZINC000349968276 254306682 /nfs/dbraw/zinc/30/66/82/254306682.db2.gz HEBRLTCLYUNVBU-BDAKNGLRSA-N 0 0 304.334 0.866 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)C[C@@H](C)O1 ZINC000350009838 254308431 /nfs/dbraw/zinc/30/84/31/254308431.db2.gz KLEIVMFJFGZXSM-IWSPIJDZSA-N 0 0 320.333 0.243 10 0 DCAERN Cc1nn(C)c2sc(C(=O)NC[C@H](C)S(N)(=O)=O)cc12 ZINC000350615087 254318914 /nfs/dbraw/zinc/31/89/14/254318914.db2.gz AWVFSLHAIIUJED-LURJTMIESA-N 0 0 316.408 0.350 10 0 DCAERN C[C@@H](CNC(=O)c1ccccc1OC(F)F)S(N)(=O)=O ZINC000350619970 254319670 /nfs/dbraw/zinc/31/96/70/254319670.db2.gz LLLBOKPEXDHICK-ZETCQYMHSA-N 0 0 308.306 0.695 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1)S(N)(=O)=O ZINC000350627276 254320662 /nfs/dbraw/zinc/32/06/62/254320662.db2.gz DFHRDPFDWVCGLS-LURJTMIESA-N 0 0 311.285 0.507 10 0 DCAERN C[C@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000351893180 254378682 /nfs/dbraw/zinc/37/86/82/254378682.db2.gz YENCMPWEEAGGID-JTQLQIEISA-N 0 0 324.402 0.571 10 0 DCAERN COC(=O)c1ccc(CN(C)[C@H](C)CS(C)(=O)=O)nc1 ZINC000352024439 254390338 /nfs/dbraw/zinc/39/03/38/254390338.db2.gz GTDAKMUOBXFRGI-SNVBAGLBSA-N 0 0 300.380 0.733 10 0 DCAERN Cc1cc(N2CCN(C(=O)C3(O)CCSCC3)CC2)n[nH]1 ZINC000189724207 291936192 /nfs/dbraw/zinc/93/61/92/291936192.db2.gz ZGXJFGZFCBNMDO-UHFFFAOYSA-N 0 0 310.423 0.625 10 0 DCAERN CCOC(=O)NCCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000151664383 196710158 /nfs/dbraw/zinc/71/01/58/196710158.db2.gz AMQKBIIOZJBNEY-LLVKDONJSA-N 0 0 323.397 0.798 10 0 DCAERN CN1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000248152287 257108478 /nfs/dbraw/zinc/10/84/78/257108478.db2.gz UMGZSJBYEIKKHX-NEPJUHHUSA-N 0 0 308.407 0.403 10 0 DCAERN Cn1cc(C[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2ccccc2)cn1 ZINC000248126531 257108807 /nfs/dbraw/zinc/10/88/07/257108807.db2.gz LTOXOQWOFRUBFB-CABCVRRESA-N 0 0 321.402 0.787 10 0 DCAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)c2ccccn2)cn1 ZINC000248101915 257109965 /nfs/dbraw/zinc/10/99/65/257109965.db2.gz FADPRUJUGSYFGA-KGLIPLIRSA-N 0 0 311.345 0.835 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CCOC12CN(Cc1ccccn1)C2 ZINC000248009285 257112198 /nfs/dbraw/zinc/11/21/98/257112198.db2.gz OZKYSDHMZNRRRS-AWEZNQCLSA-N 0 0 319.405 0.777 10 0 DCAERN COC[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)o1)C2 ZINC000247943797 257114374 /nfs/dbraw/zinc/11/43/74/257114374.db2.gz VMYFJRKCMIDHKT-LLVKDONJSA-N 0 0 313.375 0.864 10 0 DCAERN COCCNC(=O)[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247847944 257117040 /nfs/dbraw/zinc/11/70/40/257117040.db2.gz NORLHOSBSXSRRF-CQSZACIVSA-N 0 0 308.382 0.181 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC000247761561 257118609 /nfs/dbraw/zinc/11/86/09/257118609.db2.gz HVSMWNULIUYOMC-XJKSGUPXSA-N 0 0 316.361 0.611 10 0 DCAERN COc1cccc(CNC(=O)NCc2cc(C(N)=O)co2)n1 ZINC000186694948 533498567 /nfs/dbraw/zinc/49/85/67/533498567.db2.gz DFPUMEPOAAATKH-UHFFFAOYSA-N 0 0 304.306 0.782 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCCC1 ZINC000172069239 533603255 /nfs/dbraw/zinc/60/32/55/533603255.db2.gz PPLIVMHHBVMPBN-CMPLNLGQSA-N 0 0 303.428 0.898 10 0 DCAERN Cn1ccnc(N2CCC[C@H](Nc3ncc(F)cn3)C2)c1=O ZINC000275579642 130340231 /nfs/dbraw/zinc/34/02/31/130340231.db2.gz JMFMWQGULKVTHQ-NSHDSACASA-N 0 0 304.329 0.790 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)CCO1 ZINC000275643982 130352780 /nfs/dbraw/zinc/35/27/80/130352780.db2.gz NVWLCRAKZZUNEG-RDBSUJKOSA-N 0 0 321.425 0.986 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000275830954 130393896 /nfs/dbraw/zinc/39/38/96/130393896.db2.gz VIECMQDKYHLCMP-WCQYABFASA-N 0 0 304.394 0.911 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000276673093 130534396 /nfs/dbraw/zinc/53/43/96/130534396.db2.gz JMXSJHPFCQINRW-LSDHHAIUSA-N 0 0 303.362 0.850 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)CC(=O)N1C ZINC000283799737 131024305 /nfs/dbraw/zinc/02/43/05/131024305.db2.gz NNBZDLQFNWHWJP-NSHDSACASA-N 0 0 301.350 0.706 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)N1CCOC2(CCCCC2)C1 ZINC000284155885 131053406 /nfs/dbraw/zinc/05/34/06/131053406.db2.gz PPAHYIJNZVMSAL-UHFFFAOYSA-N 0 0 320.393 0.598 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@H]21 ZINC000284485994 131085218 /nfs/dbraw/zinc/08/52/18/131085218.db2.gz MRTJSUJOHUXWMK-CABCVRRESA-N 0 0 314.389 0.808 10 0 DCAERN C[C@H]1OCCN(Cc2cnn(-c3ccccc3)n2)[C@@H]1C(N)=O ZINC000284629161 131098565 /nfs/dbraw/zinc/09/85/65/131098565.db2.gz NRBDIUICPKSKDA-RISCZKNCSA-N 0 0 301.350 0.342 10 0 DCAERN CO[C@H]1C[C@@H](CN(C)c2nc3c(cnn3C)c(N)n2)[N@H+](C)C1 ZINC000284632763 131098587 /nfs/dbraw/zinc/09/85/87/131098587.db2.gz VBWFYUWKSUZNEN-UWVGGRQHSA-N 0 0 305.386 0.101 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2cncn2C)CC(C)(C)O1 ZINC000284626893 131098966 /nfs/dbraw/zinc/09/89/66/131098966.db2.gz UGYAVWFTOAPLTN-CQSZACIVSA-N 0 0 324.425 0.504 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000284645023 131100155 /nfs/dbraw/zinc/10/01/55/131100155.db2.gz DULWCKCZYOPWSK-TZMCWYRMSA-N 0 0 318.377 0.536 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1c1cnn(C)c1 ZINC000284663829 131101710 /nfs/dbraw/zinc/10/17/10/131101710.db2.gz UROAWULCEPWFNO-RDBSUJKOSA-N 0 0 320.393 0.277 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)C[C@H]1C(N)=O ZINC000284813851 131113269 /nfs/dbraw/zinc/11/32/69/131113269.db2.gz UEEHWWXEHAOMFW-HTQZYQBOSA-N 0 0 304.318 0.707 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000284854340 131116513 /nfs/dbraw/zinc/11/65/13/131116513.db2.gz HUHCYMJFJYDNGT-KGLIPLIRSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)ccc1F ZINC000284963783 131126503 /nfs/dbraw/zinc/12/65/03/131126503.db2.gz KIOZTPPNXDBDPT-KCJUWKMLSA-N 0 0 304.318 0.721 10 0 DCAERN C[C@H]1OCCN(Cc2nc(Cc3ccccc3)no2)[C@@H]1C(N)=O ZINC000285168698 131144292 /nfs/dbraw/zinc/14/42/92/131144292.db2.gz MBERGRQYVOZUKT-ABAIWWIYSA-N 0 0 316.361 0.735 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381666 131162645 /nfs/dbraw/zinc/16/26/45/131162645.db2.gz XVGXREBZUBMODY-ZIAGYGMSSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cnn1C ZINC000285422514 131166767 /nfs/dbraw/zinc/16/67/67/131166767.db2.gz NHRHAGKZRGYXND-UONOGXRCSA-N 0 0 307.398 0.343 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2nc3cccnc3n2C)C1 ZINC000285432781 131167788 /nfs/dbraw/zinc/16/77/88/131167788.db2.gz ILGSXVHZWGJABQ-HNNXBMFYSA-N 0 0 317.349 0.280 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000285514306 131176313 /nfs/dbraw/zinc/17/63/13/131176313.db2.gz MXCDWAQETKCRHV-MRXNPFEDSA-N 0 0 318.377 0.134 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCCc3c(O)cccc32)C1 ZINC000285538220 131178383 /nfs/dbraw/zinc/17/83/83/131178383.db2.gz NZUHSSIUJLWZIP-SUMWQHHRSA-N 0 0 318.373 0.651 10 0 DCAERN CCc1ccccc1OCC(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285610495 131185984 /nfs/dbraw/zinc/18/59/84/131185984.db2.gz RTDZYDBAQUZZBN-INIZCTEOSA-N 0 0 306.362 0.467 10 0 DCAERN CC1(C)c2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cc2NC1=O ZINC000292971126 131695596 /nfs/dbraw/zinc/69/55/96/131695596.db2.gz KGYVDBIXPYADLR-LBPRGKRZSA-N 0 0 317.345 0.243 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2C[C@@H](CO)c3ccccc32)C1 ZINC000293932458 131784628 /nfs/dbraw/zinc/78/46/28/131784628.db2.gz OGVCUTSZZFKQLF-GUYCJALGSA-N 0 0 318.373 0.483 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(C2CCOCC2)CC1 ZINC000366706786 132008953 /nfs/dbraw/zinc/00/89/53/132008953.db2.gz DRUHCQNATXCFKT-CYBMUJFWSA-N 0 0 323.393 0.640 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000119700278 132135323 /nfs/dbraw/zinc/13/53/23/132135323.db2.gz NGILYIKBXMUUEM-SNVBAGLBSA-N 0 0 314.407 0.987 10 0 DCAERN CCc1oc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1C ZINC000121744966 132158797 /nfs/dbraw/zinc/15/87/97/132158797.db2.gz NVKMIQNYKXKDMT-SNVBAGLBSA-N 0 0 308.334 0.654 10 0 DCAERN C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)CCS1(=O)=O ZINC000121836248 132159606 /nfs/dbraw/zinc/15/96/06/132159606.db2.gz XPBKHNNYLGISGS-SECBINFHSA-N 0 0 319.329 0.989 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCc1cn2ccccc2n1 ZINC000121913627 132160174 /nfs/dbraw/zinc/16/01/74/132160174.db2.gz ZWAZEEPJTGALOV-CYBMUJFWSA-N 0 0 318.402 0.914 10 0 DCAERN C[C@@H](C(=O)NCCC1=CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122418296 132166070 /nfs/dbraw/zinc/16/60/70/132166070.db2.gz LNOPSXSJBHREGM-VNHYZAJKSA-N 0 0 323.437 0.956 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(=O)N(C)C ZINC000046970197 134747497 /nfs/dbraw/zinc/74/74/97/134747497.db2.gz PDHXUZZVBJBAKE-NWDGAFQWSA-N 0 0 320.397 0.221 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783478 292047592 /nfs/dbraw/zinc/04/75/92/292047592.db2.gz PNSORECYOKIGID-CYBMUJFWSA-N 0 0 304.346 0.671 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@@H](O)COC(=O)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000001107821 395680727 /nfs/dbraw/zinc/68/07/27/395680727.db2.gz YZTNJMSUDMOQJM-RLPMIEJPSA-N 0 0 324.329 0.442 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[C@H](O)C1 ZINC000085381143 395700163 /nfs/dbraw/zinc/70/01/63/395700163.db2.gz BLYDXSKIJWJLQG-RNCFNFMXSA-N 0 0 310.300 0.911 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@H](C)[C@@H](O)C1)N1CCCS1(=O)=O ZINC000089403251 395710998 /nfs/dbraw/zinc/71/09/98/395710998.db2.gz BCUYZCSDJXEFFZ-RWMBFGLXSA-N 0 0 318.439 0.276 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC000089401018 395711034 /nfs/dbraw/zinc/71/10/34/395711034.db2.gz AMRVSRRWOIBINC-MFKMUULPSA-N 0 0 312.391 0.438 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3ncccc3F)CC2)nn1 ZINC000090144142 395718351 /nfs/dbraw/zinc/71/83/51/395718351.db2.gz BHRHNXQQHJANJN-UHFFFAOYSA-N 0 0 316.340 0.697 10 0 DCAERN O=C1N[C@@]2(C(=O)Nc3cc(F)c(Cl)cc32)N2CCOC[C@@H]12 ZINC000093885470 395739286 /nfs/dbraw/zinc/73/92/86/395739286.db2.gz TYCCUFUJDKAEBK-GXFFZTMASA-N 0 0 311.700 0.415 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NCc2ccnn2C)c1 ZINC000041880349 395739999 /nfs/dbraw/zinc/73/99/99/395739999.db2.gz IYSNEPWOPGMIHD-UHFFFAOYSA-N 0 0 300.318 0.878 10 0 DCAERN CN1CCN(C(=O)CCc2nnc(-c3ccccn3)o2)CC1 ZINC000041183345 395736070 /nfs/dbraw/zinc/73/60/70/395736070.db2.gz SMJCQJGNUMMWHS-UHFFFAOYSA-N 0 0 301.350 0.838 10 0 DCAERN C[C@@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1O ZINC000093344447 395738096 /nfs/dbraw/zinc/73/80/96/395738096.db2.gz KTVNCIBDUFPNHB-RISCZKNCSA-N 0 0 303.362 0.674 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000041601188 395738594 /nfs/dbraw/zinc/73/85/94/395738594.db2.gz GURBECQXXAQGDU-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCCCCC1 ZINC000042747544 395748758 /nfs/dbraw/zinc/74/87/58/395748758.db2.gz KHKPNCXRITUSPS-VXGBXAGGSA-N 0 0 303.428 0.693 10 0 DCAERN CSCC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044704789 395758141 /nfs/dbraw/zinc/75/81/41/395758141.db2.gz HYPLGZRCCBPJPN-ZDUSSCGKSA-N 0 0 313.467 0.895 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000043072319 395751789 /nfs/dbraw/zinc/75/17/89/395751789.db2.gz ZLYSOLLZSCWFGH-CQSZACIVSA-N 0 0 324.402 0.717 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000106398004 395782612 /nfs/dbraw/zinc/78/26/12/395782612.db2.gz ZKIBEQJUPIJFHZ-JLCFBVMHSA-N 0 0 324.446 0.953 10 0 DCAERN COC(=O)N[C@@H](C(=O)N[C@H]1CCc2nc(C)nn2C1)C(C)C ZINC000108166671 395786405 /nfs/dbraw/zinc/78/64/05/395786405.db2.gz OZHYRNGCVJRHFQ-CMPLNLGQSA-N 0 0 309.370 0.398 10 0 DCAERN Cc1cnc(CCN(C)S(=O)(=O)[C@H](C)C(=O)N(C)C)s1 ZINC000194038355 395787158 /nfs/dbraw/zinc/78/71/58/395787158.db2.gz ATPZCPNHYFPZDM-SNVBAGLBSA-N 0 0 319.452 0.732 10 0 DCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000270606101 395788849 /nfs/dbraw/zinc/78/88/49/395788849.db2.gz GUAYANKLDSACLG-NHCYSSNCSA-N 0 0 301.368 0.300 10 0 DCAERN CCn1c(C)nnc1CSc1n[nH]c(=O)n1CCCOC ZINC000194673700 395803927 /nfs/dbraw/zinc/80/39/27/395803927.db2.gz ALXAHIIHVDLDRP-UHFFFAOYSA-N 0 0 312.399 0.820 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@]3(O)CCSC3)CC2)n1 ZINC000270796410 395809350 /nfs/dbraw/zinc/80/93/50/395809350.db2.gz MRYYVMRMDGIJBZ-AWEZNQCLSA-N 0 0 324.406 0.002 10 0 DCAERN CC(C)CN(C1CC1)S(=O)(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000225392473 395858729 /nfs/dbraw/zinc/85/87/29/395858729.db2.gz NJYUFJNYIUEHMN-NSHDSACASA-N 0 0 309.453 0.871 10 0 DCAERN CCc1nnc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C ZINC000195058874 395815132 /nfs/dbraw/zinc/81/51/32/395815132.db2.gz YQBYCSWEIXAULW-ZDUSSCGKSA-N 0 0 322.457 0.410 10 0 DCAERN COC(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccco1 ZINC000048435048 395815654 /nfs/dbraw/zinc/81/56/54/395815654.db2.gz JGQWZMYYNLOGAC-LLVKDONJSA-N 0 0 308.334 0.954 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225515341 395861431 /nfs/dbraw/zinc/86/14/31/395861431.db2.gz GVKSXEMSIJZUPF-ZIAGYGMSSA-N 0 0 316.398 0.873 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCc2ncnn2C1 ZINC000112647145 395820270 /nfs/dbraw/zinc/82/02/70/395820270.db2.gz NNGCNSITKIWJTR-LBPRGKRZSA-N 0 0 324.348 0.063 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2COc3ccccc32)cn1 ZINC000195196492 395821053 /nfs/dbraw/zinc/82/10/53/395821053.db2.gz VMVXBXVNZLILAU-GFCCVEGCSA-N 0 0 315.333 0.884 10 0 DCAERN CC1(CNC(=O)CN2CCN(Cc3ccccc3)CC2)COC1 ZINC000112693427 395821526 /nfs/dbraw/zinc/82/15/26/395821526.db2.gz RCDRLJZRZLMALK-UHFFFAOYSA-N 0 0 317.433 0.957 10 0 DCAERN O=C(NCCc1cccc(O)c1)N[C@H]1CCc2ncnn2C1 ZINC000112748109 395824115 /nfs/dbraw/zinc/82/41/15/395824115.db2.gz SZTBQJSBAPUFSC-LBPRGKRZSA-N 0 0 301.350 0.840 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429027 395826317 /nfs/dbraw/zinc/82/63/17/395826317.db2.gz YNRKSRAGYFKAGN-NXEZZACHSA-N 0 0 317.415 0.472 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195433786 395827332 /nfs/dbraw/zinc/82/73/32/395827332.db2.gz ZLMIBNLNTNFPIB-JTQLQIEISA-N 0 0 300.380 0.390 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298479 395829205 /nfs/dbraw/zinc/82/92/05/395829205.db2.gz VKDQQFXJFDOMJD-SNVBAGLBSA-N 0 0 308.363 0.580 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)nc1 ZINC000113298506 395829301 /nfs/dbraw/zinc/82/93/01/395829301.db2.gz ORVFHUVXUHWJHG-MRVPVSSYSA-N 0 0 313.770 0.620 10 0 DCAERN O=c1c2cnccc2c(I)cn1CCO ZINC000113384817 395829760 /nfs/dbraw/zinc/82/97/60/395829760.db2.gz FNZCZMLOMTVIHI-UHFFFAOYSA-N 0 0 316.098 0.993 10 0 DCAERN CCn1ccnc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195514228 395830678 /nfs/dbraw/zinc/83/06/78/395830678.db2.gz OWIBRKXOTACFNE-CQSZACIVSA-N 0 0 306.410 0.974 10 0 DCAERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000049372005 395831154 /nfs/dbraw/zinc/83/11/54/395831154.db2.gz MJHOWKMAVHHWDX-UWVGGRQHSA-N 0 0 300.380 0.936 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000118115212 395859820 /nfs/dbraw/zinc/85/98/20/395859820.db2.gz NFYQETMUSPLNHG-OAHLLOKOSA-N 0 0 317.389 0.561 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000114608627 395835507 /nfs/dbraw/zinc/83/55/07/395835507.db2.gz AJEAACHBZGFWCP-BXKDBHETSA-N 0 0 310.375 0.862 10 0 DCAERN C[C@@H](O)CCNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000114823326 395837058 /nfs/dbraw/zinc/83/70/58/395837058.db2.gz IANNUEOBBKZCDM-SNVBAGLBSA-N 0 0 300.380 0.660 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000050856721 395842492 /nfs/dbraw/zinc/84/24/92/395842492.db2.gz FQYFRDHIHUUGIR-NWDGAFQWSA-N 0 0 310.737 0.356 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCCCNC3=O)C2)cn1 ZINC000116425586 395843908 /nfs/dbraw/zinc/84/39/08/395843908.db2.gz PTYSOGMZRNFGKE-WCQYABFASA-N 0 0 305.382 0.588 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@@H]1CC ZINC000116769922 395845671 /nfs/dbraw/zinc/84/56/71/395845671.db2.gz HSWUGWZPGVMZMK-AWEZNQCLSA-N 0 0 322.409 0.562 10 0 DCAERN CCn1c(C)cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C ZINC000116832146 395846960 /nfs/dbraw/zinc/84/69/60/395846960.db2.gz QLVHIALFQWQTNK-LBPRGKRZSA-N 0 0 313.423 0.889 10 0 DCAERN CCOc1ccccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116832850 395847118 /nfs/dbraw/zinc/84/71/18/395847118.db2.gz JQLDIYCUPJCVOO-NSHDSACASA-N 0 0 312.391 0.849 10 0 DCAERN CCc1ccc(O)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116982209 395850598 /nfs/dbraw/zinc/85/05/98/395850598.db2.gz LHOAUAOLGMSRKA-LLVKDONJSA-N 0 0 312.391 0.718 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000271245576 395851074 /nfs/dbraw/zinc/85/10/74/395851074.db2.gz JJKICQAXHMYEJQ-OLZOCXBDSA-N 0 0 305.382 0.876 10 0 DCAERN NNC(=O)Cn1nc(I)c2ccccc21 ZINC000222370638 395852630 /nfs/dbraw/zinc/85/26/30/395852630.db2.gz LPIMINSXKDNQJA-UHFFFAOYSA-N 0 0 316.102 0.631 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000117818839 395855355 /nfs/dbraw/zinc/85/53/55/395855355.db2.gz IXNQLDGMYDWIRV-SMDDNHRTSA-N 0 0 308.407 0.762 10 0 DCAERN COC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000117884464 395856030 /nfs/dbraw/zinc/85/60/30/395856030.db2.gz GDSNVVIXEIOSOC-STQMWFEESA-N 0 0 312.391 0.524 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000194360017 395794672 /nfs/dbraw/zinc/79/46/72/395794672.db2.gz NFUDGYIPDZFFAB-UHFFFAOYSA-N 0 0 316.361 0.456 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)C3=COCCO3)C2)n1 ZINC000194453403 395797273 /nfs/dbraw/zinc/79/72/73/395797273.db2.gz QGGFNGINOXUILO-SNVBAGLBSA-N 0 0 308.338 0.730 10 0 DCAERN Cc1cnn(CCNC(=O)NCc2nnc3n2CCCC3)c1 ZINC000118062513 395857974 /nfs/dbraw/zinc/85/79/74/395857974.db2.gz ZQGLNWBYAICZDM-UHFFFAOYSA-N 0 0 303.370 0.619 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000053701189 395887404 /nfs/dbraw/zinc/88/74/04/395887404.db2.gz MNZNTIARGRKHHD-LLVKDONJSA-N 0 0 314.411 0.278 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCCCCO)cc1 ZINC000234541426 395888482 /nfs/dbraw/zinc/88/84/82/395888482.db2.gz ZXAYBVKNAPNHCO-UHFFFAOYSA-N 0 0 301.364 0.453 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC(C)(C)C(=O)OC ZINC000234608745 395889463 /nfs/dbraw/zinc/88/94/63/395889463.db2.gz XHFOHEMTURXLFN-RKDXNWHRSA-N 0 0 307.368 0.199 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ccnn1C ZINC000234585511 395889528 /nfs/dbraw/zinc/88/95/28/395889528.db2.gz HDJUEFTVGODINS-QWRGUYRKSA-N 0 0 301.368 0.181 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CC)CC1 ZINC000054483319 395901260 /nfs/dbraw/zinc/90/12/60/395901260.db2.gz HFEHKOVOZXNUFO-CYBMUJFWSA-N 0 0 317.455 0.355 10 0 DCAERN O=C(CN1CCO[C@H](c2ccsc2)C1)N1CCNC(=O)C1 ZINC000125742035 395905306 /nfs/dbraw/zinc/90/53/06/395905306.db2.gz PLSAYFPWXQYUGJ-LBPRGKRZSA-N 0 0 309.391 0.080 10 0 DCAERN O=C(CN1CCO[C@@H](c2ccsc2)C1)N1CCNC(=O)C1 ZINC000125742204 395905734 /nfs/dbraw/zinc/90/57/34/395905734.db2.gz PLSAYFPWXQYUGJ-GFCCVEGCSA-N 0 0 309.391 0.080 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000055098450 395911518 /nfs/dbraw/zinc/91/15/18/395911518.db2.gz NADUGEIZIMESTP-QWHCGFSZSA-N 0 0 309.410 0.714 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126573891 395913387 /nfs/dbraw/zinc/91/33/87/395913387.db2.gz NKIVHWOAZQHPEA-WCQYABFASA-N 0 0 318.377 0.855 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CCSc1nnnn1C ZINC000126951520 395914520 /nfs/dbraw/zinc/91/45/20/395914520.db2.gz VWAQYEUEHKRDIV-UHFFFAOYSA-N 0 0 323.426 0.402 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000055247125 395915022 /nfs/dbraw/zinc/91/50/22/395915022.db2.gz JYUYADFFMHMGDF-ZDUSSCGKSA-N 0 0 312.391 0.984 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)C[C@@H](C)O1 ZINC000055290145 395916391 /nfs/dbraw/zinc/91/63/91/395916391.db2.gz ZHGCBRJGDKMDRI-VXGBXAGGSA-N 0 0 324.406 0.778 10 0 DCAERN COCCc1cc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)n(C)n1 ZINC000128237775 395917467 /nfs/dbraw/zinc/91/74/67/395917467.db2.gz DRVSQXLUURGZBN-RYUDHWBXSA-N 0 0 323.397 0.775 10 0 DCAERN CSCCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000244153939 395924495 /nfs/dbraw/zinc/92/44/95/395924495.db2.gz UWNILNFWOKCYAE-NSHDSACASA-N 0 0 308.469 0.317 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245529487 395931211 /nfs/dbraw/zinc/93/12/11/395931211.db2.gz RNECGQOQILWPHK-RYUDHWBXSA-N 0 0 302.400 0.355 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000052291992 395861813 /nfs/dbraw/zinc/86/18/13/395861813.db2.gz JFIJSBLFNHNYEZ-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN Cc1nc(S(=O)(=O)Nc2cc(Cl)c(=O)n(C)c2)cn1C ZINC000118957891 395865291 /nfs/dbraw/zinc/86/52/91/395865291.db2.gz YCPBMQLGKHLUIR-UHFFFAOYSA-N 0 0 316.770 0.881 10 0 DCAERN COC(=O)C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)CCO1 ZINC000226579813 395866729 /nfs/dbraw/zinc/86/67/29/395866729.db2.gz JVTPCSUYRJFRKG-NEPJUHHUSA-N 0 0 320.411 0.227 10 0 DCAERN C[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000119371518 395870067 /nfs/dbraw/zinc/87/00/67/395870067.db2.gz UNALFMRBHLZFRV-HZSPNIEDSA-N 0 0 316.467 1.000 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000228060796 395870678 /nfs/dbraw/zinc/87/06/78/395870678.db2.gz KAGQVQMAERTHIB-MRVPVSSYSA-N 0 0 321.786 0.647 10 0 DCAERN Cc1noc(CCNC(=O)c2cnc3ccc(C)cn3c2=O)n1 ZINC000119645355 395874272 /nfs/dbraw/zinc/87/42/72/395874272.db2.gz YIURLXNNNWNYLC-UHFFFAOYSA-N 0 0 313.317 0.667 10 0 DCAERN CCS(=O)(=O)CC(=O)NCCc1nnc2n1CCCCC2 ZINC000053029142 395875906 /nfs/dbraw/zinc/87/59/06/395875906.db2.gz VGIQQDIBYDGPJL-UHFFFAOYSA-N 0 0 314.411 0.098 10 0 DCAERN CC(C)c1nnnn1CC(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119856962 395877315 /nfs/dbraw/zinc/87/73/15/395877315.db2.gz AJGGCERVBFLCAR-UHFFFAOYSA-N 0 0 315.341 0.559 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1c1nncn1C ZINC000120121854 395881483 /nfs/dbraw/zinc/88/14/83/395881483.db2.gz OMPMYPQTBYYIIL-GHMZBOCLSA-N 0 0 323.422 0.790 10 0 DCAERN CCc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[nH]1 ZINC000120708731 395882094 /nfs/dbraw/zinc/88/20/94/395882094.db2.gz FLWRZYHKBSHVSE-UHFFFAOYSA-N 0 0 313.317 0.614 10 0 DCAERN CN1C[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CCC1=O ZINC000121260258 395883890 /nfs/dbraw/zinc/88/38/90/395883890.db2.gz ZTCXPLGVJPDUMS-SECBINFHSA-N 0 0 300.318 0.274 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCc2cccc(C)n2)n(C)n1 ZINC000121917941 395885218 /nfs/dbraw/zinc/88/52/18/395885218.db2.gz ZWIQGTINAHQTKV-UHFFFAOYSA-N 0 0 301.350 0.941 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H]3C)CCO2)c1 ZINC000134470741 395931606 /nfs/dbraw/zinc/93/16/06/395931606.db2.gz ROCVFGUBODHTIO-HZSPNIEDSA-N 0 0 308.382 0.779 10 0 DCAERN O=C1NCC[C@@H]1N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000245675347 395934235 /nfs/dbraw/zinc/93/42/35/395934235.db2.gz GWIWEVPETKBTTD-LBPRGKRZSA-N 0 0 305.382 0.343 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)CSc2ccccc2Cl)C1 ZINC000276455089 395998957 /nfs/dbraw/zinc/99/89/57/395998957.db2.gz HMRWGEJHSYEDAD-CYBMUJFWSA-N 0 0 314.794 0.881 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000246153975 395942502 /nfs/dbraw/zinc/94/25/02/395942502.db2.gz QNPXRIQRVFGXGQ-MVWJERBFSA-N 0 0 304.350 0.432 10 0 DCAERN Cc1cc(C(=O)NCCOCC(N)=O)nn1-c1ccccc1 ZINC000136033254 395943858 /nfs/dbraw/zinc/94/38/58/395943858.db2.gz AKGCKIOSSGBXEU-UHFFFAOYSA-N 0 0 302.334 0.412 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000152052265 395999446 /nfs/dbraw/zinc/99/94/46/395999446.db2.gz QSMPODKNNCZZPS-LBPRGKRZSA-N 0 0 305.382 0.951 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000136331702 395945943 /nfs/dbraw/zinc/94/59/43/395945943.db2.gz FMDUXEIZVMFGPC-NSHDSACASA-N 0 0 316.357 0.902 10 0 DCAERN CC(C)S(=O)(=O)CCN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246295168 395946032 /nfs/dbraw/zinc/94/60/32/395946032.db2.gz BIMCOUUEJVOJTA-UONOGXRCSA-N 0 0 304.456 0.462 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)NC[C@H](C)N1CCOCC1 ZINC000136361463 395946012 /nfs/dbraw/zinc/94/60/12/395946012.db2.gz ZTCBUDRSXCNTKU-LBPRGKRZSA-N 0 0 300.399 0.803 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@@]3(CCOC3)C2)ncn1 ZINC000274434498 395947727 /nfs/dbraw/zinc/94/77/27/395947727.db2.gz SNNVDJQLFVQELR-BBRMVZONSA-N 0 0 320.393 0.433 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246467649 395950661 /nfs/dbraw/zinc/95/06/61/395950661.db2.gz AKYNVVQATMVUML-SCRDCRAPSA-N 0 0 318.377 0.790 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246464043 395950728 /nfs/dbraw/zinc/95/07/28/395950728.db2.gz JUGUPVMWRZYJQO-QWHCGFSZSA-N 0 0 322.413 0.680 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CNC(=O)C1 ZINC000246531389 395951960 /nfs/dbraw/zinc/95/19/60/395951960.db2.gz LDKSERFNMNFDLC-VHSXEESVSA-N 0 0 308.769 0.566 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CCCN1c1nccs1 ZINC000246629482 395954465 /nfs/dbraw/zinc/95/44/65/395954465.db2.gz VJIVBJPVIQVOBK-WDEREUQCSA-N 0 0 318.406 0.835 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000274517461 395954931 /nfs/dbraw/zinc/95/49/31/395954931.db2.gz XWUGWOSHMONKNU-INIZCTEOSA-N 0 0 318.377 0.708 10 0 DCAERN O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1nncs1 ZINC000246799909 395957614 /nfs/dbraw/zinc/95/76/14/395957614.db2.gz JASXXMUEVMLVCA-BDAKNGLRSA-N 0 0 300.409 0.683 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903475 395961118 /nfs/dbraw/zinc/96/11/18/395961118.db2.gz HDNNRNMAKFMLIK-HOTGVXAUSA-N 0 0 321.421 0.782 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cn1 ZINC000274639210 395963854 /nfs/dbraw/zinc/96/38/54/395963854.db2.gz KAFOJVBFFUORQJ-AOOOYVTPSA-N 0 0 313.379 0.239 10 0 DCAERN CCOCCN1CCN(Cc2nc(CCOC)no2)C[C@H]1C ZINC000247169146 395968044 /nfs/dbraw/zinc/96/80/44/395968044.db2.gz MUHKVEIWQHIKTI-CYBMUJFWSA-N 0 0 312.414 0.801 10 0 DCAERN C[C@H](Oc1ccccc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150742719 395971747 /nfs/dbraw/zinc/97/17/47/395971747.db2.gz XHNROLVIWBSEDM-JTQLQIEISA-N 0 0 303.318 0.490 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247402421 395973204 /nfs/dbraw/zinc/97/32/04/395973204.db2.gz YQJCJEIKKDTHNL-LSDHHAIUSA-N 0 0 324.425 0.515 10 0 DCAERN C[C@H](NCCNS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000150864205 395974387 /nfs/dbraw/zinc/97/43/87/395974387.db2.gz OANIVJQUOIBLRP-NSHDSACASA-N 0 0 309.395 0.467 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COc2ccccc2F)CCS1(=O)=O ZINC000151054997 395978048 /nfs/dbraw/zinc/97/80/48/395978048.db2.gz YUYJKZMEMIFHTQ-NEPJUHHUSA-N 0 0 317.382 0.684 10 0 DCAERN CC[C@@H](COC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000151274120 395983165 /nfs/dbraw/zinc/98/31/65/395983165.db2.gz OVVKCSUWDDAYPI-JTQLQIEISA-N 0 0 305.334 0.231 10 0 DCAERN C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248234871 395984538 /nfs/dbraw/zinc/98/45/38/395984538.db2.gz SEKLRELGMBBSMB-KYOSRNDESA-N 0 0 305.378 0.878 10 0 DCAERN CC(=O)NCCCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151579865 395988028 /nfs/dbraw/zinc/98/80/28/395988028.db2.gz RSCFIGXPCZLJQH-UHFFFAOYSA-N 0 0 321.303 0.764 10 0 DCAERN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000151644401 395989750 /nfs/dbraw/zinc/98/97/50/395989750.db2.gz NSNKLMWEJBCVBO-NEPJUHHUSA-N 0 0 303.428 0.347 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248675739 395994015 /nfs/dbraw/zinc/99/40/15/395994015.db2.gz CVNSPMRGZZRTKT-UONOGXRCSA-N 0 0 319.471 0.758 10 0 DCAERN COCCN(CCO)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000151912032 395995840 /nfs/dbraw/zinc/99/58/40/395995840.db2.gz VOIVEDPHOJSNKF-GFCCVEGCSA-N 0 0 310.325 0.719 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCNC(C)=O)C1 ZINC000151905843 395995852 /nfs/dbraw/zinc/99/58/52/395995852.db2.gz FNSZQVAQLPJDFH-CYBMUJFWSA-N 0 0 307.398 0.928 10 0 DCAERN C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@@H](C)C1 ZINC000248733562 395996145 /nfs/dbraw/zinc/99/61/45/395996145.db2.gz MBCHMIQEYVMXPY-RYUDHWBXSA-N 0 0 308.382 0.304 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC[C@H]1C ZINC000248732842 395996436 /nfs/dbraw/zinc/99/64/36/395996436.db2.gz QIHRYRIYJPZISX-GHMZBOCLSA-N 0 0 313.427 0.994 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@]4(CCOC4)C3)nc2n1 ZINC000153305773 396023465 /nfs/dbraw/zinc/02/34/65/396023465.db2.gz WCOCAMPAXKKDMW-MRXNPFEDSA-N 0 0 315.377 0.923 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153349273 396024422 /nfs/dbraw/zinc/02/44/22/396024422.db2.gz SIOFCMWDOMZBTP-NXEZZACHSA-N 0 0 314.363 0.091 10 0 DCAERN COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)N1CCSCC1 ZINC000253414600 396027715 /nfs/dbraw/zinc/02/77/15/396027715.db2.gz XYDHDHMYIMTRDR-QWHCGFSZSA-N 0 0 322.434 0.751 10 0 DCAERN Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154136182 396032304 /nfs/dbraw/zinc/03/23/04/396032304.db2.gz FKSDIBUTTOSSHB-LSDHHAIUSA-N 0 0 322.405 0.572 10 0 DCAERN CCn1ncc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)c1C ZINC000257179112 396034355 /nfs/dbraw/zinc/03/43/55/396034355.db2.gz CJHYBEFQQLVHBR-JKSUJKDBSA-N 0 0 320.437 0.920 10 0 DCAERN Cc1csc([C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000067866255 396037064 /nfs/dbraw/zinc/03/70/64/396037064.db2.gz AMFJRVURKSPTFI-QMMMGPOBSA-N 0 0 310.379 0.959 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)c1cccc(-n2cncn2)c1 ZINC000154369439 396037466 /nfs/dbraw/zinc/03/74/66/396037466.db2.gz WUMGTZAEMZVKTM-CYBMUJFWSA-N 0 0 320.374 0.574 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000277020898 396044455 /nfs/dbraw/zinc/04/44/55/396044455.db2.gz MVNBFJZRWHEMOC-ZIAGYGMSSA-N 0 0 320.393 0.801 10 0 DCAERN NC(=O)[C@@H]1CC(C(=O)N2CCCO2)=NN1c1ccc(F)cc1 ZINC000154908835 396044857 /nfs/dbraw/zinc/04/48/57/396044857.db2.gz QYSPUHGYIIBMCZ-LBPRGKRZSA-N 0 0 306.297 0.410 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)C(C)(C)C ZINC000155411715 396051071 /nfs/dbraw/zinc/05/10/71/396051071.db2.gz RCOOAJSRPPOPQW-JTQLQIEISA-N 0 0 314.411 0.751 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000155835142 396058162 /nfs/dbraw/zinc/05/81/62/396058162.db2.gz NVQDYMCAEAVPKG-XCLFUZPHSA-N 0 0 302.440 0.326 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000156697090 396061665 /nfs/dbraw/zinc/06/16/65/396061665.db2.gz CKHUVYRWZAQCSR-RDDDGLTNSA-N 0 0 302.327 0.380 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000152255460 396004680 /nfs/dbraw/zinc/00/46/80/396004680.db2.gz IGQJIIZOQONCET-LEWSCRJBSA-N 0 0 306.362 0.948 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCN(C)C(=O)C1)c1ccccc1 ZINC000152697623 396015190 /nfs/dbraw/zinc/01/51/90/396015190.db2.gz WOBOZTPCZOFYAG-AWEZNQCLSA-N 0 0 303.362 0.555 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000251437388 396015478 /nfs/dbraw/zinc/01/54/78/396015478.db2.gz CCUJHYRLHXLBKB-HBNTYKKESA-N 0 0 323.397 0.718 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)C1 ZINC000152792733 396015532 /nfs/dbraw/zinc/01/55/32/396015532.db2.gz HXZYPFOTHFCHDM-LLVKDONJSA-N 0 0 304.350 0.497 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CCCO)C1 ZINC000250963547 396015938 /nfs/dbraw/zinc/01/59/38/396015938.db2.gz YERLQAHUGQWXDO-STQMWFEESA-N 0 0 318.439 0.422 10 0 DCAERN CNS(=O)(=O)CC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000152997614 396018943 /nfs/dbraw/zinc/01/89/43/396018943.db2.gz NXUMWDQISQOIQE-UHFFFAOYSA-N 0 0 319.386 0.914 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)S(N)(=O)=O ZINC000252478156 396020266 /nfs/dbraw/zinc/02/02/66/396020266.db2.gz AENOUEYLCTZLOA-IUCAKERBSA-N 0 0 308.404 0.191 10 0 DCAERN CNC(=O)c1cc[nH]c1[C@H]1CCCN(C(=O)NCCOC)C1 ZINC000169789366 396093441 /nfs/dbraw/zinc/09/34/41/396093441.db2.gz PDOHTCLKMXMNPN-NSHDSACASA-N 0 0 308.382 0.910 10 0 DCAERN COC(=O)c1cn(C[C@H](O)c2ccc(OC)c(OC)c2)nn1 ZINC000070459920 396101816 /nfs/dbraw/zinc/10/18/16/396101816.db2.gz FAZQMPWNUNABQB-NSHDSACASA-N 0 0 307.306 0.816 10 0 DCAERN COC(=O)c1cn(CC(=O)c2ccc(OC)c(OC)c2)nn1 ZINC000070459859 396101915 /nfs/dbraw/zinc/10/19/15/396101915.db2.gz VSFJTAYWWGHPBR-UHFFFAOYSA-N 0 0 305.290 0.965 10 0 DCAERN COCCOCC(=O)NC1CCC(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000171047170 396104542 /nfs/dbraw/zinc/10/45/42/396104542.db2.gz ITSRWECSBIPYBH-RYSNWHEDSA-N 0 0 312.410 0.849 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171063436 396105710 /nfs/dbraw/zinc/10/57/10/396105710.db2.gz OBCHGIQDZZGWAQ-GXTWGEPZSA-N 0 0 313.357 0.583 10 0 DCAERN Cc1noc(CCNC(=O)NCCC(=O)N2CCCCC2)n1 ZINC000171186226 396109525 /nfs/dbraw/zinc/10/95/25/396109525.db2.gz ZYWZFMRZOAZBCA-UHFFFAOYSA-N 0 0 309.370 0.622 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCS1 ZINC000171712131 396123303 /nfs/dbraw/zinc/12/33/03/396123303.db2.gz WZVONGKNWULVFZ-QMMMGPOBSA-N 0 0 303.409 0.250 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)N2CCNC(=O)C2)[C@H]1c1ccccc1 ZINC000171790386 396125404 /nfs/dbraw/zinc/12/54/04/396125404.db2.gz DGNVJFJPFDIBKL-CZUORRHYSA-N 0 0 315.373 0.555 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000172382494 396131432 /nfs/dbraw/zinc/13/14/32/396131432.db2.gz UNIAQEBCTRRQMJ-UHFFFAOYSA-N 0 0 300.384 0.055 10 0 DCAERN CCNS(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000172458668 396132288 /nfs/dbraw/zinc/13/22/88/396132288.db2.gz KRHGCSDMRLNRHD-UHFFFAOYSA-N 0 0 317.386 0.811 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@H](N4CCOCC4)C3)ccc21 ZINC000172743188 396132871 /nfs/dbraw/zinc/13/28/71/396132871.db2.gz GYRPBBHOBXPXJX-ZDUSSCGKSA-N 0 0 315.377 0.515 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174422887 396137962 /nfs/dbraw/zinc/13/79/62/396137962.db2.gz YTDAUDXBYNBRQO-CYBMUJFWSA-N 0 0 321.377 0.487 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000174481526 396138464 /nfs/dbraw/zinc/13/84/64/396138464.db2.gz ZLBOYONLMDMDJL-TZMCWYRMSA-N 0 0 320.455 0.714 10 0 DCAERN O=C(CN1C(=O)CSc2ccccc21)N[C@@H]1CCCNC1=O ZINC000069332106 396075276 /nfs/dbraw/zinc/07/52/76/396075276.db2.gz AFJUVFZSMAPERX-SNVBAGLBSA-N 0 0 319.386 0.520 10 0 DCAERN C[C@H](c1ccccn1)N(C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000162425497 396081348 /nfs/dbraw/zinc/08/13/48/396081348.db2.gz KCXLRZYAEVUZEB-GFCCVEGCSA-N 0 0 323.422 0.786 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1)C(F)(F)F ZINC000261949024 396082460 /nfs/dbraw/zinc/08/24/60/396082460.db2.gz JXZBZLZLADWPFA-ZYHUDNBSSA-N 0 0 323.359 0.835 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@](C)(O)C3)C2)cn1 ZINC000162665805 396083118 /nfs/dbraw/zinc/08/31/18/396083118.db2.gz HXUKNJHEKRCIME-CJNGLKHVSA-N 0 0 321.425 0.945 10 0 DCAERN C[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1cn(-c2ccccc2)nn1 ZINC000261952227 396083181 /nfs/dbraw/zinc/08/31/81/396083181.db2.gz OMDPFUUPJVWRPI-JMSVASOKSA-N 0 0 315.377 0.821 10 0 DCAERN Cc1cc(CN2CCN(C(=O)C3([NH3+])CCOCC3)CC2)no1 ZINC000261952559 396083656 /nfs/dbraw/zinc/08/36/56/396083656.db2.gz ZFMLAVLQXLIJAB-UHFFFAOYSA-N 0 0 308.382 0.135 10 0 DCAERN COC(=O)Cn1cc(CCn2cnc3ccsc3c2=O)nn1 ZINC000178751154 396207474 /nfs/dbraw/zinc/20/74/74/396207474.db2.gz MAVRJHMWRPFVLT-UHFFFAOYSA-N 0 0 319.346 0.465 10 0 DCAERN CC(C)(C)C[C@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178778196 396209185 /nfs/dbraw/zinc/20/91/85/396209185.db2.gz XHWAVRMQVDZPEN-NSHDSACASA-N 0 0 314.407 0.861 10 0 DCAERN COC(=O)C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000178802341 396209623 /nfs/dbraw/zinc/20/96/23/396209623.db2.gz QITLZWBBPLAKBC-GHMZBOCLSA-N 0 0 308.334 0.952 10 0 DCAERN Cc1nc(CNC(=O)NCC(=O)N2CCc3ccccc32)no1 ZINC000176246260 396152922 /nfs/dbraw/zinc/15/29/22/396152922.db2.gz DWIXXJLFUWDTJL-UHFFFAOYSA-N 0 0 315.333 0.767 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000176293808 396153913 /nfs/dbraw/zinc/15/39/13/396153913.db2.gz KXSYXVCDUASRLY-ONGXEEELSA-N 0 0 317.349 0.949 10 0 DCAERN CSc1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000176439414 396155797 /nfs/dbraw/zinc/15/57/97/396155797.db2.gz HQJCUHBGWVBOHT-GFCCVEGCSA-N 0 0 310.419 0.831 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000177000955 396164548 /nfs/dbraw/zinc/16/45/48/396164548.db2.gz VKDPMHYQVRGALV-JOYOIKCWSA-N 0 0 314.349 0.823 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N(C)Cc1ccc(C)o1 ZINC000177411147 396174341 /nfs/dbraw/zinc/17/43/41/396174341.db2.gz ULLDPRFZQKUXEC-UHFFFAOYSA-N 0 0 324.424 0.289 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(CNC(=O)NC2CCCCC2)n1 ZINC000263283218 396211332 /nfs/dbraw/zinc/21/13/32/396211332.db2.gz UPISDRLYEJNAAY-LBPRGKRZSA-N 0 0 322.413 0.778 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1C ZINC000177628030 396180567 /nfs/dbraw/zinc/18/05/67/396180567.db2.gz TUOOKVMAGPGIHX-ZDUSSCGKSA-N 0 0 313.361 0.965 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000075525208 396180759 /nfs/dbraw/zinc/18/07/59/396180759.db2.gz RLZQDJUIJXDNFH-MWLCHTKSSA-N 0 0 313.379 0.174 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1nccs1 ZINC000075516782 396180815 /nfs/dbraw/zinc/18/08/15/396180815.db2.gz ZYCPSJUDZXTAMS-ZJUUUORDSA-N 0 0 315.420 0.415 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000177789816 396183978 /nfs/dbraw/zinc/18/39/78/396183978.db2.gz BJHHQJOLHXPHGM-NWDGAFQWSA-N 0 0 320.393 0.753 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)[C@@H]2C)cc1C ZINC000075640486 396184178 /nfs/dbraw/zinc/18/41/78/396184178.db2.gz HDRSXEQTDYIIIF-LBPRGKRZSA-N 0 0 303.362 0.380 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H]2C)s1 ZINC000075980209 396191068 /nfs/dbraw/zinc/19/10/68/396191068.db2.gz LVACZLQUEBFFBL-VXNVDRBHSA-N 0 0 303.409 0.864 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178326775 396193785 /nfs/dbraw/zinc/19/37/85/396193785.db2.gz CBNRSNKJILWKGD-DYVFJYSZSA-N 0 0 317.389 0.965 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000178389992 396194989 /nfs/dbraw/zinc/19/49/89/396194989.db2.gz DDAJZOODPMBTOD-LBPRGKRZSA-N 0 0 321.381 0.218 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263294189 396212153 /nfs/dbraw/zinc/21/21/53/396212153.db2.gz WCHGNITYHVEWRZ-NXEZZACHSA-N 0 0 313.352 0.830 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000076099723 396196635 /nfs/dbraw/zinc/19/66/35/396196635.db2.gz OLVYAHFVOBEWGS-PRHODGIISA-N 0 0 300.322 0.434 10 0 DCAERN COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263072382 396200732 /nfs/dbraw/zinc/20/07/32/396200732.db2.gz WQVRHLFHMOPDBH-MNOVXSKESA-N 0 0 319.352 0.079 10 0 DCAERN C[C@H]1OCC[C@]12CN(S(=O)(=O)c1ccccc1N)CCO2 ZINC000280483798 396203910 /nfs/dbraw/zinc/20/39/10/396203910.db2.gz NXJNFOZXZINJTD-RISCZKNCSA-N 0 0 312.391 0.837 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CC(F)(F)CN2)c1CC ZINC000263164801 396204212 /nfs/dbraw/zinc/20/42/12/396204212.db2.gz FCOOCTRYALWUFC-LLVKDONJSA-N 0 0 314.336 0.508 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1 ZINC000180984730 396236150 /nfs/dbraw/zinc/23/61/50/396236150.db2.gz FNBYWGJORUVENY-STQMWFEESA-N 0 0 323.397 0.127 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCC(=O)NC1CC1 ZINC000181305128 396238153 /nfs/dbraw/zinc/23/81/53/396238153.db2.gz IKRYJKJIJKAHBT-UHFFFAOYSA-N 0 0 307.398 0.547 10 0 DCAERN COCc1noc([C@@H](C)N2CCN(c3cccnn3)CC2)n1 ZINC000181674753 396240890 /nfs/dbraw/zinc/24/08/90/396240890.db2.gz IICIPSHCNVDEBS-LLVKDONJSA-N 0 0 304.354 0.889 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281802103 396241186 /nfs/dbraw/zinc/24/11/86/396241186.db2.gz CRDKMYRAIVKVCG-YPMHNXCESA-N 0 0 301.339 0.662 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(F)cc1F ZINC000281831779 396243214 /nfs/dbraw/zinc/24/32/14/396243214.db2.gz ADEXOTOUKVRXLU-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN CN1CCc2ccc(NC(=O)CN3C(=O)NC(C)(C)C3=O)cc21 ZINC000181950793 396244263 /nfs/dbraw/zinc/24/42/63/396244263.db2.gz AVAJDQZCIUQELN-UHFFFAOYSA-N 0 0 316.361 0.948 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)c1nnc2ccccn21 ZINC000182141374 396246769 /nfs/dbraw/zinc/24/67/69/396246769.db2.gz SLPDXFKMHVLVCG-NSHDSACASA-N 0 0 314.353 0.771 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCC[S@](C)=O ZINC000182445281 396250644 /nfs/dbraw/zinc/25/06/44/396250644.db2.gz LIRXLWARJNPLRW-NRFANRHFSA-N 0 0 310.379 0.475 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000182626084 396252326 /nfs/dbraw/zinc/25/23/26/396252326.db2.gz WOHJIIRJBVYGJI-NSHDSACASA-N 0 0 317.349 0.328 10 0 DCAERN C[C@@H](NS(=O)(=O)CC1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000078739310 396252749 /nfs/dbraw/zinc/25/27/49/396252749.db2.gz SUSBTEGJQUPHGP-SECBINFHSA-N 0 0 318.420 0.724 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000281972974 396252863 /nfs/dbraw/zinc/25/28/63/396252863.db2.gz KCKUHZQMAHKWJH-UHFFFAOYSA-N 0 0 304.393 0.656 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCO[C@H](CO)C1 ZINC000079030109 396259867 /nfs/dbraw/zinc/25/98/67/396259867.db2.gz UHRRSWJAQLBKLH-BFHYXJOUSA-N 0 0 308.382 0.770 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000183078483 396260441 /nfs/dbraw/zinc/26/04/41/396260441.db2.gz UQWOSSUEJBGEBP-DGCLKSJQSA-N 0 0 321.377 0.300 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 ZINC000183158812 396263063 /nfs/dbraw/zinc/26/30/63/396263063.db2.gz KICRQHRIQAELMV-UHFFFAOYSA-N 0 0 323.378 0.605 10 0 DCAERN COc1ccc(S(=O)(=O)NCCCn2ccnn2)c(C)c1 ZINC000183164164 396264148 /nfs/dbraw/zinc/26/41/48/396264148.db2.gz VLSRUCGRPJCVKO-UHFFFAOYSA-N 0 0 310.379 0.964 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccnc2N2CCOCC2)CC(=O)N1C ZINC000282111130 396264562 /nfs/dbraw/zinc/26/45/62/396264562.db2.gz FQTWNIFLOMPANO-GFCCVEGCSA-N 0 0 318.377 0.221 10 0 DCAERN COC(=O)C1(CNC(=O)[C@@H]2CCCc3n[nH]cc32)CCOCC1 ZINC000183805681 396275356 /nfs/dbraw/zinc/27/53/56/396275356.db2.gz IHWXVJACQCUKIM-LLVKDONJSA-N 0 0 321.377 0.916 10 0 DCAERN COc1cc(N2CCN(C(=O)c3cnns3)CC2)ncn1 ZINC000183820448 396275906 /nfs/dbraw/zinc/27/59/06/396275906.db2.gz ZUVUXORUWPSCKN-UHFFFAOYSA-N 0 0 306.351 0.299 10 0 DCAERN Cc1c(N[C@@H]2CCNC2=O)cccc1S(=O)(=O)NC1CC1 ZINC000179047222 396219812 /nfs/dbraw/zinc/21/98/12/396219812.db2.gz XIACQWGNTSTASH-GFCCVEGCSA-N 0 0 309.391 0.736 10 0 DCAERN COc1cccc(-c2nnc(S[C@H]3CCNC3=O)n2N)c1 ZINC000179094034 396221394 /nfs/dbraw/zinc/22/13/94/396221394.db2.gz XNOKZOJMPWJGJM-JTQLQIEISA-N 0 0 305.363 0.648 10 0 DCAERN Cc1c(CNC(=O)NCCNC(=O)c2ccccc2)cnn1C ZINC000179098502 396221563 /nfs/dbraw/zinc/22/15/63/396221563.db2.gz PWUBZUACPAOUPI-UHFFFAOYSA-N 0 0 315.377 0.958 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](O)C2)[C@@H]1c1cccnc1 ZINC000077612448 396227354 /nfs/dbraw/zinc/22/73/54/396227354.db2.gz IEMRNDNSRMPDKT-YDHLFZDLSA-N 0 0 303.362 0.584 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(CCc1nccs1)C(C)C ZINC000179549359 396227541 /nfs/dbraw/zinc/22/75/41/396227541.db2.gz RCGUCSOOQDGBPQ-UHFFFAOYSA-N 0 0 319.452 0.862 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1CC(CC(N)=O)C1)OCO2 ZINC000280894902 396228144 /nfs/dbraw/zinc/22/81/44/396228144.db2.gz GKBKHMDYTDMPBZ-UHFFFAOYSA-N 0 0 312.347 0.220 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc2nncn2c1 ZINC000179628977 396228675 /nfs/dbraw/zinc/22/86/75/396228675.db2.gz SEIZGLGZVZYCEP-JTQLQIEISA-N 0 0 305.363 0.979 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CCCOCC1 ZINC000180157926 396232020 /nfs/dbraw/zinc/23/20/20/396232020.db2.gz POGIAOKMKDTCCX-NSHDSACASA-N 0 0 317.345 0.375 10 0 DCAERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2F)CCS1(=O)=O ZINC000280959667 396232201 /nfs/dbraw/zinc/23/22/01/396232201.db2.gz JNPOFPZAKJYXMM-SSDOTTSWSA-N 0 0 305.302 0.930 10 0 DCAERN O=C(NCCC[N@@H+]1CC[C@H](N2CCOCC2)C1)C(F)(F)F ZINC000180688153 396233949 /nfs/dbraw/zinc/23/39/49/396233949.db2.gz WBNDCRXESAGXKI-NSHDSACASA-N 0 0 309.332 0.462 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000184943727 396311517 /nfs/dbraw/zinc/31/15/17/396311517.db2.gz ZYQAOXFFHNRABN-CYBMUJFWSA-N 0 0 306.428 0.149 10 0 DCAERN COCCN1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184980031 396312601 /nfs/dbraw/zinc/31/26/01/396312601.db2.gz XBNUIDCPHFAMMQ-UHFFFAOYSA-N 0 0 305.382 0.839 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1csnn1 ZINC000184996187 396313222 /nfs/dbraw/zinc/31/32/22/396313222.db2.gz UBUCAKROTDVUFM-UHFFFAOYSA-N 0 0 323.353 0.839 10 0 DCAERN C[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCS1(=O)=O ZINC000185007843 396313835 /nfs/dbraw/zinc/31/38/35/396313835.db2.gz CQMFRVZXEHCNSQ-JTQLQIEISA-N 0 0 310.379 0.694 10 0 DCAERN COC(=O)Cc1csc(NC(=O)CN(C)c2cnn(C)c2)n1 ZINC000185035545 396315416 /nfs/dbraw/zinc/31/54/16/396315416.db2.gz MHWRVMCWSBLCGU-UHFFFAOYSA-N 0 0 323.378 0.667 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000083598146 396315651 /nfs/dbraw/zinc/31/56/51/396315651.db2.gz VZGZIFYKRTUHFQ-ZETCQYMHSA-N 0 0 303.409 0.756 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)NCCCn1ccnn1 ZINC000185062361 396316049 /nfs/dbraw/zinc/31/60/49/396316049.db2.gz IZRFDWPTAHEYQJ-UHFFFAOYSA-N 0 0 308.386 0.416 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185088337 396316873 /nfs/dbraw/zinc/31/68/73/396316873.db2.gz HAOZZCRJKBZAOV-QWHCGFSZSA-N 0 0 312.410 0.993 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000185091291 396317695 /nfs/dbraw/zinc/31/76/95/396317695.db2.gz VAKIYBDRBRVCKZ-HNNXBMFYSA-N 0 0 322.405 0.490 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000185091959 396317968 /nfs/dbraw/zinc/31/79/68/396317968.db2.gz LBFZAZIEFQDAAZ-HNNXBMFYSA-N 0 0 322.405 0.490 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137381 396318517 /nfs/dbraw/zinc/31/85/17/396318517.db2.gz FGCFMWQPOJWDSO-DZGCQCFKSA-N 0 0 306.366 0.017 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184065040 396283881 /nfs/dbraw/zinc/28/38/81/396283881.db2.gz PXRJYAOWTSPHBZ-LLVKDONJSA-N 0 0 321.402 0.792 10 0 DCAERN COc1cc(N2CCN(CCC(=O)OC(C)C)CC2)ncn1 ZINC000184086081 396285703 /nfs/dbraw/zinc/28/57/03/396285703.db2.gz OLOVZEMIEZFVAU-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@H]1CN(C(C)(C)CNc2cncc(C(N)=O)n2)C[C@H](C)O1 ZINC000080766873 396286082 /nfs/dbraw/zinc/28/60/82/396286082.db2.gz HCUZILMGMNWMCT-QWRGUYRKSA-N 0 0 307.398 0.875 10 0 DCAERN O=c1c2ccccc2ncn1CCN1CCO[C@]2(CCOC2)C1 ZINC000185154564 396319575 /nfs/dbraw/zinc/31/95/75/396319575.db2.gz NLTDFHHTYNBIGE-QGZVFWFLSA-N 0 0 315.373 0.888 10 0 DCAERN C[C@@H]1CN(c2nnc(CNC(=O)c3ccco3)n2C)C[C@H](C)O1 ZINC000282402906 396288011 /nfs/dbraw/zinc/28/80/11/396288011.db2.gz HUGLXBTXXSTERH-PHIMTYICSA-N 0 0 319.365 0.952 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccnc(-n2cccn2)c1 ZINC000184371829 396293018 /nfs/dbraw/zinc/29/30/18/396293018.db2.gz UAKXGNZZLBVFLT-YPMHNXCESA-N 0 0 322.390 0.864 10 0 DCAERN OC[C@H]1C[C@H](O)CN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147493 396319908 /nfs/dbraw/zinc/31/99/08/396319908.db2.gz OPIYWITVKVBBRX-NEPJUHHUSA-N 0 0 323.324 0.715 10 0 DCAERN CCc1onc(C)c1C(=O)NCCCNS(=O)(=O)CC ZINC000184412218 396294659 /nfs/dbraw/zinc/29/46/59/396294659.db2.gz OVUNSIAVBHIAAV-UHFFFAOYSA-N 0 0 303.384 0.605 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184456456 396296184 /nfs/dbraw/zinc/29/61/84/396296184.db2.gz OWLAXYILLYYBFL-QKKBWIMNSA-N 0 0 318.439 0.735 10 0 DCAERN Nc1ccccc1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000283002020 396297519 /nfs/dbraw/zinc/29/75/19/396297519.db2.gz CYPMPPVIVJMMGB-LBPRGKRZSA-N 0 0 309.391 0.748 10 0 DCAERN COC[C@@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546799 396298937 /nfs/dbraw/zinc/29/89/37/396298937.db2.gz OIVZFVCNXXKQOZ-WCQYABFASA-N 0 0 323.393 0.682 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000185171454 396320216 /nfs/dbraw/zinc/32/02/16/396320216.db2.gz ZSYUEQJOSMHCFZ-QWRGUYRKSA-N 0 0 316.361 0.863 10 0 DCAERN Cc1nc(CNC(=O)N2CCN(c3cccs3)C(=O)C2)no1 ZINC000184673213 396301205 /nfs/dbraw/zinc/30/12/05/396301205.db2.gz BARBUWJOBXCOCM-UHFFFAOYSA-N 0 0 321.362 0.998 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C)n2)cn1 ZINC000184719234 396302748 /nfs/dbraw/zinc/30/27/48/396302748.db2.gz QIVPFMZUNVISBG-UHFFFAOYSA-N 0 0 320.374 0.623 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)CC(C)C)CC1 ZINC000184768117 396305698 /nfs/dbraw/zinc/30/56/98/396305698.db2.gz OPZRHIXXTPGTHE-CYBMUJFWSA-N 0 0 311.426 0.866 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncnc3cccc(F)c32)C1 ZINC000265307965 396306464 /nfs/dbraw/zinc/30/64/64/396306464.db2.gz DIMBUUSGTNASDY-SECBINFHSA-N 0 0 310.354 0.897 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000265568090 396327332 /nfs/dbraw/zinc/32/73/32/396327332.db2.gz NSDFHNCMPIUIGD-NEPJUHHUSA-N 0 0 315.381 0.612 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)CCS1(=O)=O ZINC000265613346 396330254 /nfs/dbraw/zinc/33/02/54/396330254.db2.gz CSVFFFBEXOLMSR-GFCCVEGCSA-N 0 0 323.418 0.941 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)N[C@H]1CCOC1 ZINC000185565704 396330459 /nfs/dbraw/zinc/33/04/59/396330459.db2.gz IMFDJLUFWLNYJT-LBPRGKRZSA-N 0 0 324.356 0.645 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCc2ccccc2[C@H]1CO ZINC000185642929 396332119 /nfs/dbraw/zinc/33/21/19/396332119.db2.gz DNNOTEZUNRIZHC-OAHLLOKOSA-N 0 0 313.357 0.856 10 0 DCAERN CCOC(=O)N1CC[C@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000185735320 396333766 /nfs/dbraw/zinc/33/37/66/396333766.db2.gz SUDHUAFIBLKHPV-LBPRGKRZSA-N 0 0 309.370 0.722 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(Cl)n1 ZINC000185476358 396328479 /nfs/dbraw/zinc/32/84/79/396328479.db2.gz HABDRJGKKYCHLG-JTQLQIEISA-N 0 0 319.814 0.652 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)NCCOc1ccccc1 ZINC000185954628 396337574 /nfs/dbraw/zinc/33/75/74/396337574.db2.gz UMOKPVPPPQKXMI-KRWDZBQOSA-N 0 0 319.405 0.912 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949639 396337581 /nfs/dbraw/zinc/33/75/81/396337581.db2.gz NOHFVFDMKWQBMP-MRXNPFEDSA-N 0 0 324.425 0.875 10 0 DCAERN O=C(NCCc1nnc2n1CCCC2)c1ccc2n[nH]nc2c1 ZINC000186033409 396339821 /nfs/dbraw/zinc/33/98/21/396339821.db2.gz NXMAZBRWWIWFLC-UHFFFAOYSA-N 0 0 311.349 0.858 10 0 DCAERN CCNC(=O)NC(=O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186077421 396340734 /nfs/dbraw/zinc/34/07/34/396340734.db2.gz VDDLZFNQSAOFNY-UHFFFAOYSA-N 0 0 310.379 0.242 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCC1=O ZINC000265730657 396340457 /nfs/dbraw/zinc/34/04/57/396340457.db2.gz BKTPBGWERXAERM-RYUDHWBXSA-N 0 0 305.382 0.920 10 0 DCAERN O=C(C1=COCCO1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186249992 396346291 /nfs/dbraw/zinc/34/62/91/396346291.db2.gz DZHPUOVIHDNFPA-UHFFFAOYSA-N 0 0 304.350 0.824 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC(F)(F)CO)[C@H]1c1cccnc1 ZINC000186101493 396341204 /nfs/dbraw/zinc/34/12/04/396341204.db2.gz GTIBHAMSLWYVQU-CMPLNLGQSA-N 0 0 313.304 0.345 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nc[nH]n2)cc1 ZINC000186134995 396341854 /nfs/dbraw/zinc/34/18/54/396341854.db2.gz FOBZSJKGXLKMBZ-MRXNPFEDSA-N 0 0 316.361 0.991 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186177831 396343406 /nfs/dbraw/zinc/34/34/06/396343406.db2.gz ISBVDSFEGIOGPN-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN O=C(c1cccc(-n2cncn2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000186695348 396355389 /nfs/dbraw/zinc/35/53/89/396355389.db2.gz QMZXAGVWJFSRPS-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN COc1ccc(C(=O)[N-]C(=O)C[N@H+](C)CC2(CO)CC2)cc1 ZINC000186776111 396357495 /nfs/dbraw/zinc/35/74/95/396357495.db2.gz HLQIIMJIQKMAGC-UHFFFAOYSA-N 0 0 306.362 0.656 10 0 DCAERN O=C(NC1CN(C(=O)NCc2cccc(CO)c2)C1)C1CC1 ZINC000187029838 396362181 /nfs/dbraw/zinc/36/21/81/396362181.db2.gz ZTGMKVDRPOJXLJ-UHFFFAOYSA-N 0 0 303.362 0.599 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000187056631 396362544 /nfs/dbraw/zinc/36/25/44/396362544.db2.gz PAPSJDUPXALCSJ-INIZCTEOSA-N 0 0 305.378 0.823 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000187325064 396367256 /nfs/dbraw/zinc/36/72/56/396367256.db2.gz OBYFZBWEOGVVBR-WFASDCNBSA-N 0 0 300.399 0.984 10 0 DCAERN CCN(C[C@@H]1CCN(C(=O)CC(=O)NC)C1)CC(F)(F)F ZINC000187660672 396372351 /nfs/dbraw/zinc/37/23/51/396372351.db2.gz UMNFRZHGLSDEEB-JTQLQIEISA-N 0 0 309.332 0.855 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000285424748 396349989 /nfs/dbraw/zinc/34/99/89/396349989.db2.gz ICVPHOKQIOQKCB-WFASDCNBSA-N 0 0 324.764 0.482 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccoc2Br)C1 ZINC000285424842 396350551 /nfs/dbraw/zinc/35/05/51/396350551.db2.gz IDSFEYFGQACJTB-LLVKDONJSA-N 0 0 317.139 0.495 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccoc2Br)C1 ZINC000285424843 396350555 /nfs/dbraw/zinc/35/05/55/396350555.db2.gz IDSFEYFGQACJTB-NSHDSACASA-N 0 0 317.139 0.495 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000186478105 396350677 /nfs/dbraw/zinc/35/06/77/396350677.db2.gz DYRLWPALDKQDRE-UHFFFAOYSA-N 0 0 316.361 0.918 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000285607330 396351151 /nfs/dbraw/zinc/35/11/51/396351151.db2.gz XWMDHFGHJKXXKP-LSDHHAIUSA-N 0 0 322.409 0.948 10 0 DCAERN CO[C@@]1(C(=O)NCCn2cc(Br)cn2)CCOC1 ZINC000286323147 396387730 /nfs/dbraw/zinc/38/77/30/396387730.db2.gz FWSXJHLIAFMZMF-NSHDSACASA-N 0 0 318.171 0.567 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)N1CC(CO)C1 ZINC000188968645 396389424 /nfs/dbraw/zinc/38/94/24/396389424.db2.gz VXDFFFXWHHFCOU-AWEZNQCLSA-N 0 0 303.362 0.816 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000189011657 396389896 /nfs/dbraw/zinc/38/98/96/396389896.db2.gz YJFOMMFENWQOKT-UXIGCNINSA-N 0 0 306.362 0.552 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1=O ZINC000189054120 396390723 /nfs/dbraw/zinc/39/07/23/396390723.db2.gz WWWBHNSGCVOMDD-GFCCVEGCSA-N 0 0 320.393 0.537 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189491399 396395813 /nfs/dbraw/zinc/39/58/13/396395813.db2.gz OZNOHWQQDZPKEB-AWEZNQCLSA-N 0 0 304.346 0.466 10 0 DCAERN COCCn1ccc(C(=O)N2CC(=O)Nc3c(C)ccnc32)n1 ZINC000189770486 396398808 /nfs/dbraw/zinc/39/88/08/396398808.db2.gz LHNFULAJZPEDOR-UHFFFAOYSA-N 0 0 315.333 0.832 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)CNC(=O)c1ccccn1 ZINC000189762825 396398882 /nfs/dbraw/zinc/39/88/82/396398882.db2.gz FKMKTGOLDCNZRT-JTQLQIEISA-N 0 0 319.283 0.583 10 0 DCAERN CN1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1=O ZINC000189772335 396398911 /nfs/dbraw/zinc/39/89/11/396398911.db2.gz CKGXYIYYTBBEIC-UHFFFAOYSA-N 0 0 310.375 0.394 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1=O ZINC000189798501 396399532 /nfs/dbraw/zinc/39/95/32/396399532.db2.gz PPFUNUZMLOXTLE-ZDUSSCGKSA-N 0 0 323.437 0.962 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C1 ZINC000190506018 396407220 /nfs/dbraw/zinc/40/72/20/396407220.db2.gz YATVAAXZBCADCS-GLWUULTISA-N 0 0 321.421 0.761 10 0 DCAERN CO[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000190829302 396411504 /nfs/dbraw/zinc/41/15/04/396411504.db2.gz WXBMFADXTJXGCE-DGCLKSJQSA-N 0 0 306.366 0.911 10 0 DCAERN COCCN1CCCN(C(=O)Nc2cc(C)nn2C)CC1=O ZINC000190968489 396413272 /nfs/dbraw/zinc/41/32/72/396413272.db2.gz SZAIZRHAXOJRTN-UHFFFAOYSA-N 0 0 309.370 0.441 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000191045789 396414229 /nfs/dbraw/zinc/41/42/29/396414229.db2.gz JLDLZGLCFYPLDB-UHFFFAOYSA-N 0 0 303.362 0.878 10 0 DCAERN CCCCCS(=O)(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191391447 396418688 /nfs/dbraw/zinc/41/86/88/396418688.db2.gz YJDXIHIPVVHATF-UHFFFAOYSA-N 0 0 306.428 0.687 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000191402977 396418887 /nfs/dbraw/zinc/41/88/87/396418887.db2.gz SDVDWNRSJDFYOO-CFMSYZGJSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CCCNC(=O)[C@H]1C)N1CCOCC1 ZINC000191413872 396419098 /nfs/dbraw/zinc/41/90/98/396419098.db2.gz WZLHOAMKZVESEC-YNEHKIRRSA-N 0 0 312.414 0.016 10 0 DCAERN CCN1CN([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1=O ZINC000191554411 396421155 /nfs/dbraw/zinc/42/11/55/396421155.db2.gz VGQVDROOGFBORB-NSHDSACASA-N 0 0 318.377 0.495 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)OC)CC2)[nH]1 ZINC000191589742 396422101 /nfs/dbraw/zinc/42/21/01/396422101.db2.gz OMYGABFBVVKBMY-QWRGUYRKSA-N 0 0 306.366 0.882 10 0 DCAERN CCN1CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000191570498 396422205 /nfs/dbraw/zinc/42/22/05/396422205.db2.gz JXPTYCKMVXGBPH-SNVBAGLBSA-N 0 0 304.350 0.234 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193169972 396445347 /nfs/dbraw/zinc/44/53/47/396445347.db2.gz HIEAATGFTAFJAE-SNVBAGLBSA-N 0 0 324.406 0.942 10 0 DCAERN Cc1ccnc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000192545937 396432024 /nfs/dbraw/zinc/43/20/24/396432024.db2.gz SPQKBPNELTZGTG-UHFFFAOYSA-N 0 0 311.301 0.427 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000192715396 396435580 /nfs/dbraw/zinc/43/55/80/396435580.db2.gz FXBBAFGINHLTJB-AWEZNQCLSA-N 0 0 303.362 0.544 10 0 DCAERN COCCN1CCCN([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1=O ZINC000192809142 396438138 /nfs/dbraw/zinc/43/81/38/396438138.db2.gz VBMWUDIPIJDJLY-LBPRGKRZSA-N 0 0 308.382 0.732 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000192987491 396441849 /nfs/dbraw/zinc/44/18/49/396441849.db2.gz MTJXRQNBSUBMLN-LBPRGKRZSA-N 0 0 304.346 0.867 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000187877876 396375845 /nfs/dbraw/zinc/37/58/45/396375845.db2.gz NTRLJSUMNIJTEH-CYBMUJFWSA-N 0 0 316.361 0.219 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)o1 ZINC000187890018 396375922 /nfs/dbraw/zinc/37/59/22/396375922.db2.gz LYETWBNDSVGGEX-KOLCDFICSA-N 0 0 316.379 0.685 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CCCN(C)C(=O)C3)c(=O)n2c1 ZINC000188162785 396379868 /nfs/dbraw/zinc/37/98/68/396379868.db2.gz NZIYXPBDPKLFCM-UHFFFAOYSA-N 0 0 314.345 0.307 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)[C@H](C)CO)N1C(=O)NC2(CCCC2)C1=O ZINC000372303368 396504872 /nfs/dbraw/zinc/50/48/72/396504872.db2.gz UVWMXJOYCYYSQK-OUAUKWLOSA-N 0 0 311.382 0.373 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)c(C2CC2)n1 ZINC000291716258 396509227 /nfs/dbraw/zinc/50/92/27/396509227.db2.gz JUZPIPXKMLHUKP-HNNXBMFYSA-N 0 0 306.366 0.609 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)c1c[nH]nc1C(C)C ZINC000193418753 396450944 /nfs/dbraw/zinc/45/09/44/396450944.db2.gz ZJZYTXZIKDMKJY-UHFFFAOYSA-N 0 0 316.427 0.935 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1 ZINC000289011858 396453171 /nfs/dbraw/zinc/45/31/71/396453171.db2.gz UXUUSHXKKWSFAQ-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN O=C(NCCCNc1ccccn1)N1CCN2CCOC[C@@H]2C1 ZINC000371877073 396479239 /nfs/dbraw/zinc/47/92/39/396479239.db2.gz RXPLDLQAFQAQCM-AWEZNQCLSA-N 0 0 319.409 0.610 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000372115655 396489571 /nfs/dbraw/zinc/48/95/71/396489571.db2.gz FRPAVZNGQNQHTL-CMPLNLGQSA-N 0 0 321.381 0.272 10 0 DCAERN O=C(Nc1c(F)cccc1F)C(=O)N1CC(n2ccnn2)C1 ZINC000372653180 396534663 /nfs/dbraw/zinc/53/46/63/396534663.db2.gz KFCORUDUPDEBAH-UHFFFAOYSA-N 0 0 307.260 0.578 10 0 DCAERN CC(=O)CC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292644622 396561082 /nfs/dbraw/zinc/56/10/82/396561082.db2.gz HODWRCFMXUGFHV-UHFFFAOYSA-N 0 0 300.380 0.624 10 0 DCAERN Cc1nc([C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)CCO2)no1 ZINC000373075679 396564790 /nfs/dbraw/zinc/56/47/90/396564790.db2.gz XZOAYQUBARYAJK-ZYHUDNBSSA-N 0 0 322.365 0.536 10 0 DCAERN COC(=O)c1ccc(=O)n(C[C@H]2COc3ccccc3O2)n1 ZINC000585732046 396651581 /nfs/dbraw/zinc/65/15/81/396651581.db2.gz RUNPJMSPZISRRE-JTQLQIEISA-N 0 0 302.286 0.870 10 0 DCAERN Cc1cc(C)n(CC(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000585736292 396651859 /nfs/dbraw/zinc/65/18/59/396651859.db2.gz SMGSMMKJTMRDPT-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cn2ccccc2n1 ZINC000585736027 396651992 /nfs/dbraw/zinc/65/19/92/396651992.db2.gz NQRXHRUUHKXJBS-UHFFFAOYSA-N 0 0 322.390 0.490 10 0 DCAERN CC(=O)c1ncc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)s1 ZINC000581948647 396596120 /nfs/dbraw/zinc/59/61/20/396596120.db2.gz VFWQBKFWQHGILV-MRVPVSSYSA-N 0 0 320.378 0.864 10 0 DCAERN CCn1nncc1C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000293334938 396601366 /nfs/dbraw/zinc/60/13/66/396601366.db2.gz KQBUNEKGGGBEOI-LLVKDONJSA-N 0 0 305.382 0.961 10 0 DCAERN O=C(NCCC1CC(O)C1)C(=O)Nc1ccc2nccn2c1 ZINC000562419371 396663050 /nfs/dbraw/zinc/66/30/50/396663050.db2.gz NHQAEUJIPRZJMF-UHFFFAOYSA-N 0 0 302.334 0.550 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000374653802 396678288 /nfs/dbraw/zinc/67/82/88/396678288.db2.gz DQMWHWHAUOZMCE-LSDHHAIUSA-N 0 0 318.377 0.816 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000374932279 396699432 /nfs/dbraw/zinc/69/94/32/396699432.db2.gz QBXSWEQMWQIYRQ-LBPRGKRZSA-N 0 0 311.407 0.070 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCC(=O)NCC(F)F ZINC000374961928 396701647 /nfs/dbraw/zinc/70/16/47/396701647.db2.gz KGPUBJGKXYRJSY-VIFPVBQESA-N 0 0 315.324 0.478 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000374991519 396702562 /nfs/dbraw/zinc/70/25/62/396702562.db2.gz RTAIPTYQSJOKMB-LBPRGKRZSA-N 0 0 323.393 0.879 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000298619092 396710832 /nfs/dbraw/zinc/71/08/32/396710832.db2.gz OXLWXPYNJSCOQY-XYHOJCAOSA-N 0 0 320.345 0.316 10 0 DCAERN NC(=O)[C@H](O)C1CCN(c2ncc(Br)cn2)CC1 ZINC000299739702 396713321 /nfs/dbraw/zinc/71/33/21/396713321.db2.gz ACIQWNHFBVUKGZ-SECBINFHSA-N 0 0 315.171 0.302 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2ccc3nnc(C)n3n2)C1 ZINC000302552513 396720385 /nfs/dbraw/zinc/72/03/85/396720385.db2.gz KGIRZPYFRSPKQZ-UHFFFAOYSA-N 0 0 310.383 0.126 10 0 DCAERN COC[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 ZINC000302545389 396720662 /nfs/dbraw/zinc/72/06/62/396720662.db2.gz ISJZTTSBFAZODC-MNOVXSKESA-N 0 0 310.375 0.871 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c(F)c1 ZINC000375240459 396721064 /nfs/dbraw/zinc/72/10/64/396721064.db2.gz XIAQXXUHSXYDOY-GFCCVEGCSA-N 0 0 321.352 0.616 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H]3CCN(C)C(=O)C3)sc2n1 ZINC000302739652 396722538 /nfs/dbraw/zinc/72/25/38/396722538.db2.gz CFNDYSNOPVEKAY-VIFPVBQESA-N 0 0 307.379 0.746 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC2(CCOCC2)CC1 ZINC000375284973 396724108 /nfs/dbraw/zinc/72/41/08/396724108.db2.gz XQLQMYMQVIIILC-LLVKDONJSA-N 0 0 309.366 0.394 10 0 DCAERN CCOC(=O)c1coc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000596437933 396777625 /nfs/dbraw/zinc/77/76/25/396777625.db2.gz YHGRYLKORRTUJW-RKDXNWHRSA-N 0 0 304.324 0.075 10 0 DCAERN CN1C[C@H](C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375603223 396779728 /nfs/dbraw/zinc/77/97/28/396779728.db2.gz OFSFZAICGDFQNZ-WDEREUQCSA-N 0 0 304.350 0.741 10 0 DCAERN O=C(NC[C@@]1(OCCO)CCOC1)[C@@H]1COc2ccccc2O1 ZINC000617717454 396788553 /nfs/dbraw/zinc/78/85/53/396788553.db2.gz HTTPBUXAFPYNGT-HOCLYGCPSA-N 0 0 323.345 0.111 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@@H](CC(N)=O)C2)c1 ZINC000629407668 396749025 /nfs/dbraw/zinc/74/90/25/396749025.db2.gz HSHNCOSLIGDVIV-AWEZNQCLSA-N 0 0 320.345 0.371 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2sccc2F)C1 ZINC000312524794 396764859 /nfs/dbraw/zinc/76/48/59/396764859.db2.gz IWYQPLSXONIGPC-QMMMGPOBSA-N 0 0 321.399 0.533 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](O)C(C)(C)C2)C[C@H](C)O1 ZINC000312827710 396767594 /nfs/dbraw/zinc/76/75/94/396767594.db2.gz LVMOFKNMTPYRRC-TUAOUCFPSA-N 0 0 306.428 0.433 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@]23CCOC3)cs1 ZINC000312855195 396767791 /nfs/dbraw/zinc/76/77/91/396767791.db2.gz QZUDWWKRFYOLKN-GFCCVEGCSA-N 0 0 316.404 0.791 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)CC(=O)N(C)CC1CC1 ZINC000610827903 396769412 /nfs/dbraw/zinc/76/94/12/396769412.db2.gz ANXFRHQLSYWCRP-ZDUSSCGKSA-N 0 0 300.399 0.753 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)CC1=O ZINC000375577789 396774816 /nfs/dbraw/zinc/77/48/16/396774816.db2.gz HPFHNLYHDHYZQI-SFTQSGBHSA-N 0 0 308.378 0.655 10 0 DCAERN Cc1nnc(CN(C)[C@@H]2CN(Cc3cnc(C)s3)C[C@H]2O)o1 ZINC000328626535 396824815 /nfs/dbraw/zinc/82/48/15/396824815.db2.gz FEVBHZUPFNNZOJ-CHWSQXEVSA-N 0 0 323.422 0.820 10 0 DCAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329305203 396842993 /nfs/dbraw/zinc/84/29/93/396842993.db2.gz OQPRKOBQLJISBS-KQBRZWLDSA-N 0 0 322.405 0.504 10 0 DCAERN c1nc(N2CCSCC2)cc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000375943531 396848850 /nfs/dbraw/zinc/84/88/50/396848850.db2.gz VQYHIXZDQBGGRK-ZDUSSCGKSA-N 0 0 321.450 0.551 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)[C@H]2CCCN2C1=O ZINC000330300438 396856582 /nfs/dbraw/zinc/85/65/82/396856582.db2.gz ILUXVHJXYARRIL-GMTAPVOTSA-N 0 0 300.380 0.769 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1onc2c1CCCC2 ZINC000617891702 396865980 /nfs/dbraw/zinc/86/59/80/396865980.db2.gz BBEADYNIJYPNDT-MNOVXSKESA-N 0 0 314.363 0.095 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000375771979 396816003 /nfs/dbraw/zinc/81/60/03/396816003.db2.gz FWNOLHSTPZADSB-JJRVBVJISA-N 0 0 318.373 0.638 10 0 DCAERN CCSc1nccnc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000376128289 396881352 /nfs/dbraw/zinc/88/13/52/396881352.db2.gz GHRSFYOOYWWFMN-LLVKDONJSA-N 0 0 308.407 0.745 10 0 DCAERN CC(=O)NCCN(C[C@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C ZINC000611576318 396888879 /nfs/dbraw/zinc/88/88/79/396888879.db2.gz PEACPYSXGGBBHV-RYUDHWBXSA-N 0 0 302.415 0.783 10 0 DCAERN COCCC1(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000332760805 396891285 /nfs/dbraw/zinc/89/12/85/396891285.db2.gz RFGTVTAPBUKRST-ZIAGYGMSSA-N 0 0 311.426 0.918 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N[C@H]1CCOC[C@@H]1O ZINC000600585005 396893521 /nfs/dbraw/zinc/89/35/21/396893521.db2.gz LXODYZKCFYHJDR-RYUDHWBXSA-N 0 0 300.380 0.791 10 0 DCAERN COC(=O)[C@@H](N[C@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614005 396894222 /nfs/dbraw/zinc/89/42/22/396894222.db2.gz AAFNRHBDRCDBHE-WFASDCNBSA-N 0 0 317.389 0.905 10 0 DCAERN CN(C[C@H]1CCC[C@H]1O)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332820842 396895326 /nfs/dbraw/zinc/89/53/26/396895326.db2.gz AQBUHSNRKQUVTG-YVECIDJPSA-N 0 0 309.370 0.020 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000618188678 396919162 /nfs/dbraw/zinc/91/91/62/396919162.db2.gz GULQPSWZEHNBFL-SDQBBNPISA-N 0 0 301.412 0.459 10 0 DCAERN C[C@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000376428893 396927579 /nfs/dbraw/zinc/92/75/79/396927579.db2.gz QKZJJTRMNGQFTH-XQHKEYJVSA-N 0 0 307.394 0.370 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1F ZINC000625596665 396942317 /nfs/dbraw/zinc/94/23/17/396942317.db2.gz LMFQUGPTVUXLPY-UWVGGRQHSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)Cc1csc(NC(=O)NCc2cn(C)nn2)n1 ZINC000611912977 396947116 /nfs/dbraw/zinc/94/71/16/396947116.db2.gz HZFKRWPGZDFMFP-UHFFFAOYSA-N 0 0 310.339 0.309 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)NCc2cn(C)nn2)cc1 ZINC000611935439 396951631 /nfs/dbraw/zinc/95/16/31/396951631.db2.gz RHKQNBBBWXYKLC-UHFFFAOYSA-N 0 0 324.362 0.221 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)Cc1cn[nH]c1 ZINC000625616183 396952008 /nfs/dbraw/zinc/95/20/08/396952008.db2.gz GHJDPXPOKGRJCP-UHFFFAOYSA-N 0 0 323.397 0.178 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2cc(-n3cccc3)ccn2)CCO1 ZINC000376724161 396968568 /nfs/dbraw/zinc/96/85/68/396968568.db2.gz WPIPDDUMORHVPD-ZDUSSCGKSA-N 0 0 300.318 0.199 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000376611623 396952651 /nfs/dbraw/zinc/95/26/51/396952651.db2.gz QZJFQHJIOHGBLB-LBPRGKRZSA-N 0 0 324.425 0.732 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376602903 396953167 /nfs/dbraw/zinc/95/31/67/396953167.db2.gz UQDLPOXRXMGYID-GFCCVEGCSA-N 0 0 312.414 0.542 10 0 DCAERN CN(CCCNC(=O)N1CC[C@H](CC(N)=O)C1)CC(F)(F)F ZINC000376628919 396953868 /nfs/dbraw/zinc/95/38/68/396953868.db2.gz LPEFPAJKHLTGML-SNVBAGLBSA-N 0 0 324.347 0.778 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000376630301 396954094 /nfs/dbraw/zinc/95/40/94/396954094.db2.gz ZOAPHBFPHJZMNG-JTQLQIEISA-N 0 0 304.394 0.842 10 0 DCAERN CCOC(=O)c1ccc(C(=O)NCc2cn(C)nn2)nc1C ZINC000611945738 396955461 /nfs/dbraw/zinc/95/54/61/396955461.db2.gz AOKRIQKRUABGRR-UHFFFAOYSA-N 0 0 303.322 0.625 10 0 DCAERN CS(=O)(=O)N1C[C@H](C(=O)N2CCCO2)Oc2ccccc21 ZINC000376910056 396995615 /nfs/dbraw/zinc/99/56/15/396995615.db2.gz IAHUNCFAWCBSTN-GFCCVEGCSA-N 0 0 312.347 0.378 10 0 DCAERN CCc1nc(CCNC(=O)NCc2nnc3ccccn32)no1 ZINC000591822949 397005454 /nfs/dbraw/zinc/00/54/54/397005454.db2.gz DYVOQUUOBDDFQN-UHFFFAOYSA-N 0 0 315.337 0.717 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCO1 ZINC000618675800 397009220 /nfs/dbraw/zinc/00/92/20/397009220.db2.gz JYMKCWNVEMKTOL-UTUOFQBUSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](O)C2CCCCC2)CCN1S(C)(=O)=O ZINC000618677116 397010176 /nfs/dbraw/zinc/01/01/76/397010176.db2.gz CEVLEARBHXNLCC-DGCLKSJQSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCN1S(C)(=O)=O ZINC000618680210 397011253 /nfs/dbraw/zinc/01/12/53/397011253.db2.gz QEGMDNQZADGYHM-RISCZKNCSA-N 0 0 324.402 0.482 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCSC ZINC000618811150 397028971 /nfs/dbraw/zinc/02/89/71/397028971.db2.gz YRFOISIOWFCDQI-RKDXNWHRSA-N 0 0 305.400 0.105 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000377106125 397030710 /nfs/dbraw/zinc/03/07/10/397030710.db2.gz YIJUIRDTUBEIOK-PSASIEDQSA-N 0 0 305.356 0.116 10 0 DCAERN CCCc1cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)[nH]n1 ZINC000618883031 397036139 /nfs/dbraw/zinc/03/61/39/397036139.db2.gz SQCBKHARKFPDSZ-NXEZZACHSA-N 0 0 324.381 0.548 10 0 DCAERN Cc1nn(CC(=O)OC(C)C)c(C)c1CNCc1cn(C)nn1 ZINC000611984193 396971896 /nfs/dbraw/zinc/97/18/96/396971896.db2.gz UVLUHCVNXBTYRG-UHFFFAOYSA-N 0 0 320.397 0.870 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000612489748 397070620 /nfs/dbraw/zinc/07/06/20/397070620.db2.gz IMONANRGYVPVBP-LRTDBIEQSA-N 0 0 308.403 0.581 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000377361169 397071694 /nfs/dbraw/zinc/07/16/94/397071694.db2.gz WLHJTCBPOQNKHE-QWHCGFSZSA-N 0 0 304.350 0.332 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc(C)nc3C2)[C@@H](C)C1 ZINC000626138516 397088275 /nfs/dbraw/zinc/08/82/75/397088275.db2.gz YXBRTHJHBHUKQU-GXTWGEPZSA-N 0 0 304.394 0.833 10 0 DCAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCNC(=O)CC1)N1CCCC1 ZINC000112279342 304326344 /nfs/dbraw/zinc/32/63/44/304326344.db2.gz KRLJBARPRIYQKS-KGLIPLIRSA-N 0 0 321.421 0.764 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377213869 397048254 /nfs/dbraw/zinc/04/82/54/397048254.db2.gz JPDNWFXANSGTTE-MGPQQGTHSA-N 0 0 309.410 0.224 10 0 DCAERN C[C@H](C(=O)[O-])N(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000630574435 397050877 /nfs/dbraw/zinc/05/08/77/397050877.db2.gz PPCHGWIQZNFFIP-DOMZBBRYSA-N 0 0 319.405 0.910 10 0 DCAERN CC(=O)N1CCCc2cc(NC(=O)C3CS(=O)(=O)C3)ccc21 ZINC000630873316 397125670 /nfs/dbraw/zinc/12/56/70/397125670.db2.gz GQQABVSTCZJEAY-UHFFFAOYSA-N 0 0 322.386 0.969 10 0 DCAERN COc1ccc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cn1 ZINC000626279523 397128158 /nfs/dbraw/zinc/12/81/58/397128158.db2.gz ASVFNAFRQRVTLL-GHMZBOCLSA-N 0 0 304.310 0.131 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1(C)C ZINC000573312651 397155408 /nfs/dbraw/zinc/15/54/08/397155408.db2.gz MNYOYJZKSZPYSO-OGHNNQOOSA-N 0 0 324.421 0.944 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2onc(C)c21 ZINC000619697910 397175862 /nfs/dbraw/zinc/17/58/62/397175862.db2.gz WYOLCXIADLLUMH-RKDXNWHRSA-N 0 0 321.337 0.794 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000619744988 397188054 /nfs/dbraw/zinc/18/80/54/397188054.db2.gz MWRYIJFCHOQMSY-WPRPVWTQSA-N 0 0 315.395 0.996 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000364561579 397221463 /nfs/dbraw/zinc/22/14/63/397221463.db2.gz DOZREMYZPQVNGS-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@H]2CCCO2)CCS1(=O)=O ZINC000574018878 397227188 /nfs/dbraw/zinc/22/71/88/397227188.db2.gz YXIPRRGCJDIUTC-HZSPNIEDSA-N 0 0 321.439 0.052 10 0 DCAERN Cn1c(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc(Cl)c1Cl ZINC000380495239 397269495 /nfs/dbraw/zinc/26/94/95/397269495.db2.gz NEQHDCNQVYJGDD-LBPRGKRZSA-N 0 0 320.176 0.784 10 0 DCAERN O=C(CCNS(=O)(=O)c1cccs1)NC1CC(CO)C1 ZINC000620889363 397315922 /nfs/dbraw/zinc/31/59/22/397315922.db2.gz RRTUCVNXQDZBQO-UHFFFAOYSA-N 0 0 318.420 0.304 10 0 DCAERN Cc1cc(CCNC(=O)c2cnc3n(c2=O)CCS3)on1 ZINC000574830261 397304301 /nfs/dbraw/zinc/30/43/01/397304301.db2.gz JNEDZYFSWVQKTL-UHFFFAOYSA-N 0 0 306.347 0.618 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000378562217 397256293 /nfs/dbraw/zinc/25/62/93/397256293.db2.gz QKDJTFXHSPVBDO-UHFFFAOYSA-N 0 0 313.361 0.708 10 0 DCAERN CC(C)n1nnnc1CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000407950435 397333693 /nfs/dbraw/zinc/33/36/93/397333693.db2.gz GRVWJRVFXPQFJN-UHFFFAOYSA-N 0 0 316.431 0.110 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)C[C@H]1C ZINC000407957254 397336222 /nfs/dbraw/zinc/33/62/22/397336222.db2.gz YMRCTSIJERYZOE-JNIYBQFBSA-N 0 0 311.382 0.494 10 0 DCAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407958835 397337082 /nfs/dbraw/zinc/33/70/82/397337082.db2.gz TWBIQMIJINXFDR-CYBMUJFWSA-N 0 0 319.405 0.468 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407958978 397337236 /nfs/dbraw/zinc/33/72/36/397337236.db2.gz SMTWAYCUZXLVAK-TXEJJXNPSA-N 0 0 315.439 0.516 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000407963673 397339013 /nfs/dbraw/zinc/33/90/13/397339013.db2.gz DFIAZXOJULAEBP-ZJUUUORDSA-N 0 0 307.441 0.073 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CC(=O)N(C)[C@@H](C)C1)c2=O ZINC000407967552 397340779 /nfs/dbraw/zinc/34/07/79/397340779.db2.gz CYRCDXLBKKZFTK-NSHDSACASA-N 0 0 314.345 0.306 10 0 DCAERN C[C@H]1CN(C(=O)NCCCN2CCCCC2=O)CC(=O)N1C ZINC000407970159 397341577 /nfs/dbraw/zinc/34/15/77/397341577.db2.gz KKZCWTLIWNNZCD-LBPRGKRZSA-N 0 0 310.398 0.261 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000408070783 397346656 /nfs/dbraw/zinc/34/66/56/397346656.db2.gz KKUDDJFFKDQWTH-IUCAKERBSA-N 0 0 303.302 0.758 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCOCC23CCC3)nc1 ZINC000408116529 397347553 /nfs/dbraw/zinc/34/75/53/397347553.db2.gz QUMHXAWCZRTMAB-UHFFFAOYSA-N 0 0 311.363 0.124 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189819 397348980 /nfs/dbraw/zinc/34/89/80/397348980.db2.gz QJSRJCCTJHHFMK-KWQFWETISA-N 0 0 311.304 0.610 10 0 DCAERN CNC(=O)[C@@H]1CCCN1[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449797 397357432 /nfs/dbraw/zinc/35/74/32/397357432.db2.gz DRLMVUOBTJJHOT-UWVGGRQHSA-N 0 0 307.316 0.750 10 0 DCAERN CC1(C)CS(=O)(=O)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000577897648 397370585 /nfs/dbraw/zinc/37/05/85/397370585.db2.gz PUANLAWKYFGGHM-OLZOCXBDSA-N 0 0 321.439 0.052 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)C1 ZINC000614092087 397381783 /nfs/dbraw/zinc/38/17/83/397381783.db2.gz CMDATVHDFXETQW-YCPHGPKFSA-N 0 0 311.401 0.890 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100561 397326244 /nfs/dbraw/zinc/32/62/44/397326244.db2.gz LCKGSTMBKZVVHE-KLOGBUTCSA-N 0 0 323.414 0.834 10 0 DCAERN C[S@@](=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000613811575 397327481 /nfs/dbraw/zinc/32/74/81/397327481.db2.gz AXASVHAKZCFOLM-LRTDBIEQSA-N 0 0 308.403 0.581 10 0 DCAERN COCCN(Cc1cccs1)C(=O)C(=O)N(C)CCCO ZINC000459864872 397437165 /nfs/dbraw/zinc/43/71/65/397437165.db2.gz IRRZDQQKNRBNML-UHFFFAOYSA-N 0 0 314.407 0.564 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2c[nH]nc2C)CC1 ZINC000471640043 397448083 /nfs/dbraw/zinc/44/80/83/397448083.db2.gz ULLCQQZFEWRVEB-UHFFFAOYSA-N 0 0 323.397 0.497 10 0 DCAERN COCc1nc2n(n1)C[C@H](N1C(=O)N[C@H](CC3CC3)C1=O)CC2 ZINC000578595170 397456889 /nfs/dbraw/zinc/45/68/89/397456889.db2.gz NYDKNMAUDGPUNV-GHMZBOCLSA-N 0 0 319.365 0.460 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccsc1 ZINC000487097752 397465787 /nfs/dbraw/zinc/46/57/87/397465787.db2.gz PTUMRZHPDNZRNZ-VHSXEESVSA-N 0 0 312.391 0.863 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)C1CCSCC1 ZINC000602764036 397479448 /nfs/dbraw/zinc/47/94/48/397479448.db2.gz LEZTXWGQZYZRNG-UHFFFAOYSA-N 0 0 306.453 0.671 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)COC1CCCC1 ZINC000488313808 397489505 /nfs/dbraw/zinc/48/95/05/397489505.db2.gz XMXSGHCYAPBDBB-QWRGUYRKSA-N 0 0 314.382 0.518 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC000614647297 397490103 /nfs/dbraw/zinc/49/01/03/397490103.db2.gz FBFJIWSDNBMVKT-UHFFFAOYSA-N 0 0 321.377 0.800 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc2c1OCCC2 ZINC000370494237 397494182 /nfs/dbraw/zinc/49/41/82/397494182.db2.gz AWVJIPRNIWUMSB-UHFFFAOYSA-N 0 0 301.302 0.913 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000578795233 397486758 /nfs/dbraw/zinc/48/67/58/397486758.db2.gz YCPHUAJLXMTDMK-IFWUJCSASA-N 0 0 300.424 0.963 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccnc1OC ZINC000488287728 397487904 /nfs/dbraw/zinc/48/79/04/397487904.db2.gz QVRSKBOLVOSZEB-UWVGGRQHSA-N 0 0 323.349 0.276 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000370554170 397500351 /nfs/dbraw/zinc/50/03/51/397500351.db2.gz AKTQMABUQSKFIP-LBPRGKRZSA-N 0 0 314.345 0.813 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000603152160 397575905 /nfs/dbraw/zinc/57/59/05/397575905.db2.gz BPYXVXCGDGWUSR-GKYBTWCOSA-N 0 0 300.424 0.803 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000603152163 397576600 /nfs/dbraw/zinc/57/66/00/397576600.db2.gz BPYXVXCGDGWUSR-WUVMZXDYSA-N 0 0 300.424 0.803 10 0 DCAERN O=C(C(=O)N1C[C@@H]2COC[C@H](C1)O2)c1ccc2c(c1)CCC2 ZINC000579497925 397576827 /nfs/dbraw/zinc/57/68/27/397576827.db2.gz JDXUZYLEQQWTAN-GASCZTMLSA-N 0 0 301.342 0.984 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)CN1C[C@@H](O)Cc2ccccc21 ZINC000579548982 397578217 /nfs/dbraw/zinc/57/82/17/397578217.db2.gz DTOJGPJREPFPEB-HRCADAONSA-N 0 0 307.390 0.967 10 0 DCAERN COC[C@@H](C)OC[C@@H](O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000579579755 397580921 /nfs/dbraw/zinc/58/09/21/397580921.db2.gz BGJQNZHJPNKZET-RDBSUJKOSA-N 0 0 303.399 0.815 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000579174962 397531596 /nfs/dbraw/zinc/53/15/96/397531596.db2.gz CAXVTUJLJCGGAX-WOPDTQHZSA-N 0 0 321.443 0.381 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)NCCOCC2CCC2)C1 ZINC000579260287 397546774 /nfs/dbraw/zinc/54/67/74/397546774.db2.gz KLHXTJIJNJJIME-LBPRGKRZSA-N 0 0 319.427 0.266 10 0 DCAERN CN1CC(=O)N(CCCC(=O)Nc2ccc3nccn3c2)C1=O ZINC000603809156 397621909 /nfs/dbraw/zinc/62/19/09/397621909.db2.gz QLVUOIQFGFBLEQ-UHFFFAOYSA-N 0 0 315.333 0.947 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000604188238 397632661 /nfs/dbraw/zinc/63/26/61/397632661.db2.gz SCUIJVBTXWMGBG-RYUDHWBXSA-N 0 0 321.443 0.118 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608205613 397720318 /nfs/dbraw/zinc/72/03/18/397720318.db2.gz GXNUZYIZPNNFBW-WCQYABFASA-N 0 0 315.377 0.877 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608205611 397720584 /nfs/dbraw/zinc/72/05/84/397720584.db2.gz GXNUZYIZPNNFBW-AAEUAGOBSA-N 0 0 315.377 0.877 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000608246026 397723281 /nfs/dbraw/zinc/72/32/81/397723281.db2.gz XNOOSEZZHIBEFI-HZSPNIEDSA-N 0 0 308.382 0.547 10 0 DCAERN NS(=O)(=O)c1cnn(CCC(=O)NCCCC2CC2)c1 ZINC000605562191 397667924 /nfs/dbraw/zinc/66/79/24/397667924.db2.gz UMYQSNDFAMXDSD-UHFFFAOYSA-N 0 0 300.384 0.227 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CC=CCC1 ZINC000605970208 397676105 /nfs/dbraw/zinc/67/61/05/397676105.db2.gz WDLFXHSCGVUBFX-GFCCVEGCSA-N 0 0 301.412 0.820 10 0 DCAERN C[C@H]1CSCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000606497734 397682809 /nfs/dbraw/zinc/68/28/09/397682809.db2.gz RIHLMKJGQAEVJE-NSHDSACASA-N 0 0 321.468 0.559 10 0 DCAERN CSCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000610475569 397825229 /nfs/dbraw/zinc/82/52/29/397825229.db2.gz GXXZBIFWDSBWRS-NSHDSACASA-N 0 0 301.412 0.429 10 0 DCAERN COC1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408174325 292170276 /nfs/dbraw/zinc/17/02/76/292170276.db2.gz IZEWQADBMPWZBN-TZMCWYRMSA-N 0 0 306.366 0.187 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000333481289 296614354 /nfs/dbraw/zinc/61/43/54/296614354.db2.gz SJHSBNBQJZLDQR-WXHSDQCUSA-N 0 0 316.423 0.773 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C12CCOCC2 ZINC000187137281 286271956 /nfs/dbraw/zinc/27/19/56/286271956.db2.gz WJNVNIZOBWUJPK-MGPQQGTHSA-N 0 0 324.421 0.945 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408236091 292267692 /nfs/dbraw/zinc/26/76/92/292267692.db2.gz NDJWXBBNCADUKC-NWDGAFQWSA-N 0 0 306.428 0.699 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)N2CCOCC2)(C(=O)OC)C1(C)C ZINC000444277417 286417925 /nfs/dbraw/zinc/41/79/25/286417925.db2.gz LWKHDLDFMFOORV-ABAIWWIYSA-N 0 0 314.382 0.775 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@@H](N2CCCC2)C1)S(C)(=O)=O ZINC000107526467 298019838 /nfs/dbraw/zinc/01/98/38/298019838.db2.gz GNFYNFGRKFCKQS-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN CCO[C@H]1C[C@](NS(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282591 286549689 /nfs/dbraw/zinc/54/96/89/286549689.db2.gz XTKKUXZLTZGVFQ-GWCFXTLKSA-N 0 0 305.396 0.815 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000329537366 304405070 /nfs/dbraw/zinc/40/50/70/304405070.db2.gz UXNHBCSNYIUEGM-UXCLJVHYSA-N 0 0 309.284 0.564 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cn(C)nc1C ZINC000176434417 286652518 /nfs/dbraw/zinc/65/25/18/286652518.db2.gz IRLUXOUOEMHAGG-VIFPVBQESA-N 0 0 302.400 0.187 10 0 DCAERN COCCCNC(=O)CS(=O)(=O)c1ccc(F)c(F)c1 ZINC000047660705 158004088 /nfs/dbraw/zinc/00/40/88/158004088.db2.gz PBRFGWBPXKWYDP-UHFFFAOYSA-N 0 0 307.318 0.891 10 0 DCAERN CN(CCCNC(=O)CN1CCNC(=O)CC1)c1ccccc1 ZINC000054258568 158020400 /nfs/dbraw/zinc/02/04/00/158020400.db2.gz QZLJDUGSDFLASH-UHFFFAOYSA-N 0 0 318.421 0.451 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000055129388 158021392 /nfs/dbraw/zinc/02/13/92/158021392.db2.gz UAPURDLYJSOEQE-LBPRGKRZSA-N 0 0 323.418 0.486 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cn2c(C)c(C)sc2=O)CC1 ZINC000056970009 158024289 /nfs/dbraw/zinc/02/42/89/158024289.db2.gz FWJRIBMLOJTHDG-UHFFFAOYSA-N 0 0 311.407 0.607 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)Cc1ccccc1 ZINC000067266663 158038893 /nfs/dbraw/zinc/03/88/93/158038893.db2.gz CDLOUHRJODHHDM-KBPBESRZSA-N 0 0 318.373 0.803 10 0 DCAERN COCCOCC(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067192921 158039176 /nfs/dbraw/zinc/03/91/76/158039176.db2.gz IVLQHNZAVFJFHO-UHFFFAOYSA-N 0 0 300.399 0.756 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000068016288 158040884 /nfs/dbraw/zinc/04/08/84/158040884.db2.gz MWHZSPXRKKTTPM-NSHDSACASA-N 0 0 317.353 0.746 10 0 DCAERN Cc1ccn2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)c2n1 ZINC000072565365 158050198 /nfs/dbraw/zinc/05/01/98/158050198.db2.gz KAYZGFYYRNLMEG-MNOVXSKESA-N 0 0 301.350 0.764 10 0 DCAERN CCCNC(=O)CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000072780536 158051958 /nfs/dbraw/zinc/05/19/58/158051958.db2.gz NHXJMTBRWCVTGH-LLVKDONJSA-N 0 0 306.366 0.839 10 0 DCAERN Cc1cc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000074623978 158059386 /nfs/dbraw/zinc/05/93/86/158059386.db2.gz AHUQSGMBXOKHFO-UHFFFAOYSA-N 0 0 309.347 0.489 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1C ZINC000074675069 158059642 /nfs/dbraw/zinc/05/96/42/158059642.db2.gz KOTIJGSAEVBPCB-BXKDBHETSA-N 0 0 307.398 0.498 10 0 DCAERN O=C(c1ccco1)N1CCCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000075034865 158060787 /nfs/dbraw/zinc/06/07/87/158060787.db2.gz CYWRUUQBOGZOMJ-UHFFFAOYSA-N 0 0 318.333 0.220 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)C1 ZINC000075656284 158061721 /nfs/dbraw/zinc/06/17/21/158061721.db2.gz BQTJWSSNERNZMG-LBPRGKRZSA-N 0 0 317.455 0.763 10 0 DCAERN Cc1noc(COCC(=O)N[C@H]2CCCn3nc(C)nc32)n1 ZINC000081584805 158085247 /nfs/dbraw/zinc/08/52/47/158085247.db2.gz LETXQCYIBPEPQZ-JTQLQIEISA-N 0 0 306.326 0.446 10 0 DCAERN Cn1nc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)ccc1=O ZINC000081651475 158085883 /nfs/dbraw/zinc/08/58/83/158085883.db2.gz IRTOREQCPQAFIN-CYBMUJFWSA-N 0 0 321.377 0.581 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083734037 158088442 /nfs/dbraw/zinc/08/84/42/158088442.db2.gz YBPQCVHKCJZIKI-JMJZKYOTSA-N 0 0 313.427 0.833 10 0 DCAERN O=C(c1ccc(Cl)cc1F)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856605 158088596 /nfs/dbraw/zinc/08/85/96/158088596.db2.gz WTAXIYNKDIKJTL-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN O=C(Cc1ccc(Cl)cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856848 158089176 /nfs/dbraw/zinc/08/91/76/158089176.db2.gz MHZJXQKESDHYER-AWEZNQCLSA-N 0 0 307.737 0.693 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000088200103 158093251 /nfs/dbraw/zinc/09/32/51/158093251.db2.gz AEPYZUSHRSTOSZ-WDEREUQCSA-N 0 0 320.397 0.582 10 0 DCAERN CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)c1nccs1 ZINC000088773029 158095586 /nfs/dbraw/zinc/09/55/86/158095586.db2.gz DHWPVHCJPYFTJA-SECBINFHSA-N 0 0 321.424 0.924 10 0 DCAERN NS(=O)(=O)c1ccc(OCCN2CC(O)(C3CC3)C2)cc1 ZINC000089679179 158098385 /nfs/dbraw/zinc/09/83/85/158098385.db2.gz VCAHHWFFSVJZJC-UHFFFAOYSA-N 0 0 312.391 0.170 10 0 DCAERN COCCN(C(=O)N[C@H](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000091205034 158108167 /nfs/dbraw/zinc/10/81/67/158108167.db2.gz JZJMTDDGFUFLNH-NEPJUHHUSA-N 0 0 306.428 0.876 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000091783776 158109215 /nfs/dbraw/zinc/10/92/15/158109215.db2.gz VQFQZNIWVSSAMT-CYBMUJFWSA-N 0 0 300.318 0.199 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1cccc2ccccc21 ZINC000092230341 158112216 /nfs/dbraw/zinc/11/22/16/158112216.db2.gz KURGYDCGOULDCZ-OAHLLOKOSA-N 0 0 313.357 0.964 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C2)nc1C ZINC000095019496 158124136 /nfs/dbraw/zinc/12/41/36/158124136.db2.gz ZUYCCLVJBKSHLE-JTQLQIEISA-N 0 0 301.368 0.395 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000102659330 158128230 /nfs/dbraw/zinc/12/82/30/158128230.db2.gz SJMSFZVTRHLLRR-LLVKDONJSA-N 0 0 324.362 0.430 10 0 DCAERN COC(=O)NCC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280846 158128467 /nfs/dbraw/zinc/12/84/67/158128467.db2.gz OZZPSNASIYWTJG-LBPRGKRZSA-N 0 0 303.322 0.675 10 0 DCAERN CNC(=O)[C@@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1 ZINC000111269317 158139637 /nfs/dbraw/zinc/13/96/37/158139637.db2.gz NFVWOFLKVDHLJI-GFCCVEGCSA-N 0 0 308.382 0.922 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112725403 158143947 /nfs/dbraw/zinc/14/39/47/158143947.db2.gz CQWJGBYPPRMUQH-GFCCVEGCSA-N 0 0 313.361 0.448 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112743034 158144275 /nfs/dbraw/zinc/14/42/75/158144275.db2.gz QOYSBHWOWLPJKK-LBPRGKRZSA-N 0 0 315.381 0.553 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000113212514 158145261 /nfs/dbraw/zinc/14/52/61/158145261.db2.gz QHZVRKXHJVOQLG-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN CC(C)n1nnnc1CN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113263105 158146322 /nfs/dbraw/zinc/14/63/22/158146322.db2.gz JNTPGLKWQOBMGW-SNVBAGLBSA-N 0 0 301.416 0.652 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114836791 158157646 /nfs/dbraw/zinc/15/76/46/158157646.db2.gz RYHBLFBJEBXUPA-QWHCGFSZSA-N 0 0 324.425 0.696 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000116830893 158166990 /nfs/dbraw/zinc/16/69/90/158166990.db2.gz SGQPHMPBMCSHRZ-RYUDHWBXSA-N 0 0 304.412 0.486 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCOc2ccccc2)C1 ZINC000116831397 158167656 /nfs/dbraw/zinc/16/76/56/158167656.db2.gz VWGMWMCXLXSMDA-GFCCVEGCSA-N 0 0 312.391 0.606 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116899492 158168585 /nfs/dbraw/zinc/16/85/85/158168585.db2.gz RCXXBAOHVOIIRB-CYBMUJFWSA-N 0 0 316.427 0.583 10 0 DCAERN CCOCCN1CCN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C ZINC000117277556 158170474 /nfs/dbraw/zinc/17/04/74/158170474.db2.gz BATWYYAOFPBWIY-CYBMUJFWSA-N 0 0 319.405 0.968 10 0 DCAERN O=C(COC[C@H]1CCOC1)NCc1nnc2n1CCCCC2 ZINC000117749638 158173278 /nfs/dbraw/zinc/17/32/78/158173278.db2.gz HBOHGTSTAAEBSE-LBPRGKRZSA-N 0 0 308.382 0.674 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000117918184 158174213 /nfs/dbraw/zinc/17/42/13/158174213.db2.gz SZOGMDPBXRGSNV-CMPLNLGQSA-N 0 0 317.411 0.997 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)[C@@H](C)COC)C1 ZINC000117919559 158174776 /nfs/dbraw/zinc/17/47/76/158174776.db2.gz QJVSFCKTFQQZSW-RYUDHWBXSA-N 0 0 316.427 0.842 10 0 DCAERN CN(C)[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccco1 ZINC000118756014 158179701 /nfs/dbraw/zinc/17/97/01/158179701.db2.gz KHYFFOTUPQHRMC-JTQLQIEISA-N 0 0 322.365 0.329 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@@]2(CCO)CCOC2)nn1 ZINC000119045733 158182637 /nfs/dbraw/zinc/18/26/37/158182637.db2.gz DTIJTUILZGOXRB-OAHLLOKOSA-N 0 0 310.398 0.843 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000119469863 158187235 /nfs/dbraw/zinc/18/72/35/158187235.db2.gz QMRUYYZEVKWCLL-GFCCVEGCSA-N 0 0 317.393 0.809 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120154333 158194621 /nfs/dbraw/zinc/19/46/21/158194621.db2.gz KKFULCLFWZRPTO-NEPJUHHUSA-N 0 0 302.396 0.049 10 0 DCAERN CN1CCN(C(=O)CN2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000121217030 158208822 /nfs/dbraw/zinc/20/88/22/158208822.db2.gz YBXDUWZZUMIICC-HNNXBMFYSA-N 0 0 304.394 0.309 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCc2ncnc(OC)c2C1 ZINC000121357113 158209842 /nfs/dbraw/zinc/20/98/42/158209842.db2.gz RWCNLZOUPDRXFQ-UHFFFAOYSA-N 0 0 300.384 0.430 10 0 DCAERN C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H](C)O1 ZINC000121657003 158213244 /nfs/dbraw/zinc/21/32/44/158213244.db2.gz SYADLHCQBISCDD-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)[C@H](C)CO1 ZINC000121716832 158213998 /nfs/dbraw/zinc/21/39/98/158213998.db2.gz UTKNHHQYDWTCJO-VXGBXAGGSA-N 0 0 308.444 0.729 10 0 DCAERN CCC1(CO)CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000121783866 158215454 /nfs/dbraw/zinc/21/54/54/158215454.db2.gz JGDDOERZZIEEBO-LBPRGKRZSA-N 0 0 307.398 0.787 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000122111603 158218462 /nfs/dbraw/zinc/21/84/62/158218462.db2.gz NVBWZQSLOVOTSM-LBPRGKRZSA-N 0 0 301.412 0.651 10 0 DCAERN COC(=O)c1cc(F)ccc1Cn1nc2cnccn2c1=O ZINC000122657604 158222823 /nfs/dbraw/zinc/22/28/23/158222823.db2.gz RYMRJCXWIQMWRU-UHFFFAOYSA-N 0 0 302.265 0.865 10 0 DCAERN O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CC(CO)C1 ZINC000122800851 158224103 /nfs/dbraw/zinc/22/41/03/158224103.db2.gz NPXQUFCMXAEGOF-HNNXBMFYSA-N 0 0 302.374 0.528 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)N(CC(C)C)C2CC2)C[C@@H](C)O1 ZINC000124102981 158238075 /nfs/dbraw/zinc/23/80/75/158238075.db2.gz JRFPSAKWODCPDX-TZMCWYRMSA-N 0 0 312.410 0.896 10 0 DCAERN O=C(NCc1csc(=O)[nH]1)c1cccc(-n2cncn2)c1 ZINC000124367438 158240715 /nfs/dbraw/zinc/24/07/15/158240715.db2.gz IOCVXWQGQXWGMN-UHFFFAOYSA-N 0 0 301.331 0.947 10 0 DCAERN Cn1nccc1C1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1 ZINC000124328168 158241101 /nfs/dbraw/zinc/24/11/01/158241101.db2.gz ISYDFRFOSKDGTA-ZDUSSCGKSA-N 0 0 304.394 0.995 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(C2CC2)CC1 ZINC000124631855 158244666 /nfs/dbraw/zinc/24/46/66/158244666.db2.gz LHKSAIIMEQSPOQ-LBPRGKRZSA-N 0 0 301.412 0.053 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)N1CCN(C2CC2)CC1 ZINC000124710702 158246270 /nfs/dbraw/zinc/24/62/70/158246270.db2.gz RBWWNUWVRBGSGK-UHFFFAOYSA-N 0 0 300.424 0.650 10 0 DCAERN CC[C@H]1CN(C(=O)CCc2nnc[nH]2)CCN1CC(F)F ZINC000125148965 158252081 /nfs/dbraw/zinc/25/20/81/158252081.db2.gz GJADJADWLHOZNL-JTQLQIEISA-N 0 0 301.341 0.925 10 0 DCAERN CC[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCN1CC(F)F ZINC000125427648 158254713 /nfs/dbraw/zinc/25/47/13/158254713.db2.gz IVDKOZOHVWISQK-SNVBAGLBSA-N 0 0 316.352 0.783 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cs1 ZINC000125362202 158254839 /nfs/dbraw/zinc/25/48/39/158254839.db2.gz RNAIQGULJMFAAM-APPZFPTMSA-N 0 0 310.379 0.828 10 0 DCAERN O=C(CN1CCCCC1=O)NCc1ccnc(-n2ccnc2)c1 ZINC000125937904 158260372 /nfs/dbraw/zinc/26/03/72/158260372.db2.gz PRDVQKQBCVXYAB-UHFFFAOYSA-N 0 0 313.361 0.896 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126106611 158262117 /nfs/dbraw/zinc/26/21/17/158262117.db2.gz HIHBBDKRDXPFLB-STQMWFEESA-N 0 0 323.422 0.438 10 0 DCAERN O=C(CN1CCO[C@H](c2cccc(O)c2)C1)N1CCOCC1 ZINC000126439532 158265095 /nfs/dbraw/zinc/26/50/95/158265095.db2.gz CRVXZBVAOWBDQM-HNNXBMFYSA-N 0 0 306.362 0.624 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127106238 158269892 /nfs/dbraw/zinc/26/98/92/158269892.db2.gz JGUOJCLEAHYTHB-KBPBESRZSA-N 0 0 310.398 0.958 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cn1 ZINC000127190804 158271403 /nfs/dbraw/zinc/27/14/03/158271403.db2.gz ZBQJYBMUWVDOQO-CQSZACIVSA-N 0 0 323.374 0.888 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127154482 158271506 /nfs/dbraw/zinc/27/15/06/158271506.db2.gz SBCNOPAJKJWXAL-OAHLLOKOSA-N 0 0 308.378 0.918 10 0 DCAERN CN(C)c1ccnc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000127574731 158274343 /nfs/dbraw/zinc/27/43/43/158274343.db2.gz XITVTBKTBUHYPR-CQSZACIVSA-N 0 0 304.394 0.741 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)n(C)n1 ZINC000128237579 158279456 /nfs/dbraw/zinc/27/94/56/158279456.db2.gz DRVSQXLUURGZBN-NWDGAFQWSA-N 0 0 323.397 0.775 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420476 158280857 /nfs/dbraw/zinc/28/08/57/158280857.db2.gz GBBNOQCTAGNEEA-NSHDSACASA-N 0 0 301.437 0.823 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](CO)C1 ZINC000128578271 158282386 /nfs/dbraw/zinc/28/23/86/158282386.db2.gz KDGFBBOEKLPLSE-LBPRGKRZSA-N 0 0 301.346 0.627 10 0 DCAERN COc1cccc(CCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000129038928 158284909 /nfs/dbraw/zinc/28/49/09/158284909.db2.gz YOWWWBBAPLOEJN-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccnc2ccccc21 ZINC000129074439 158285122 /nfs/dbraw/zinc/28/51/22/158285122.db2.gz UEOHPBPFZFMOBS-CYBMUJFWSA-N 0 0 315.373 0.658 10 0 DCAERN CCOC(=O)c1cnc2c(cnn2C)c1NCCn1ccnn1 ZINC000129122832 158286371 /nfs/dbraw/zinc/28/63/71/158286371.db2.gz XKWRITVYUCXBEO-UHFFFAOYSA-N 0 0 315.337 0.849 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CCC(=O)N1CCOCC1 ZINC000131159001 158301180 /nfs/dbraw/zinc/30/11/80/158301180.db2.gz LMRAVPLIUQZMOW-UHFFFAOYSA-N 0 0 322.409 0.794 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000131352559 158302271 /nfs/dbraw/zinc/30/22/71/158302271.db2.gz FUKUNZUWYXMNMI-UHFFFAOYSA-N 0 0 321.381 0.486 10 0 DCAERN C[C@@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000131922053 158306561 /nfs/dbraw/zinc/30/65/61/158306561.db2.gz SZJYRHJAUSUSGC-MBNYWOFBSA-N 0 0 311.426 0.741 10 0 DCAERN CCc1nc(CN2CCN([C@H]3CCCCNC3=O)CC2)no1 ZINC000131913758 158307155 /nfs/dbraw/zinc/30/71/55/158307155.db2.gz LPESWBZGNALOPX-LBPRGKRZSA-N 0 0 307.398 0.418 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000132261601 158309445 /nfs/dbraw/zinc/30/94/45/158309445.db2.gz WUQGOLUSORTFIF-GHMZBOCLSA-N 0 0 324.402 0.864 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)CN(C)S(C)(=O)=O ZINC000132946827 158315064 /nfs/dbraw/zinc/31/50/64/158315064.db2.gz MXSLFXQGARYZDC-UHFFFAOYSA-N 0 0 319.452 0.814 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)COC[C@@H]1C)C(=O)OC ZINC000133208776 158317030 /nfs/dbraw/zinc/31/70/30/158317030.db2.gz IWVCTYASWWGCQB-FMSGJZPZSA-N 0 0 300.399 0.800 10 0 DCAERN CN1C[C@H](NC(=O)CCc2nc(-c3ccco3)no2)CCC1=O ZINC000133260390 158317244 /nfs/dbraw/zinc/31/72/44/158317244.db2.gz TYJDYSLSZUBMOF-SNVBAGLBSA-N 0 0 318.333 0.999 10 0 DCAERN OCCOc1cncc(N2CCC[C@H](Cn3cncn3)C2)n1 ZINC000133360874 158318193 /nfs/dbraw/zinc/31/81/93/158318193.db2.gz KGXPNVBSXOZOTR-LBPRGKRZSA-N 0 0 304.354 0.356 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2snnc2C(C)(C)C)CCO1 ZINC000133503140 158319632 /nfs/dbraw/zinc/31/96/32/158319632.db2.gz HTBJHIVDFRPQDD-MRVPVSSYSA-N 0 0 313.379 0.850 10 0 DCAERN CN(C)c1ncccc1CNC(=O)CNC(=O)c1cccnc1 ZINC000133934754 158322719 /nfs/dbraw/zinc/32/27/19/158322719.db2.gz HBEPOUZBWYPGLG-UHFFFAOYSA-N 0 0 313.361 0.589 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365156 158327248 /nfs/dbraw/zinc/32/72/48/158327248.db2.gz HGIFLDCNWIPFEO-CHWSQXEVSA-N 0 0 315.439 0.152 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000135392205 158336028 /nfs/dbraw/zinc/33/60/28/158336028.db2.gz BLFBPCUUHQGPKJ-NSHDSACASA-N 0 0 314.411 0.350 10 0 DCAERN CC(C)CNC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135743826 158339622 /nfs/dbraw/zinc/33/96/22/158339622.db2.gz OBGVIHYNKOJLFN-CYBMUJFWSA-N 0 0 317.455 0.259 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000136087802 158341122 /nfs/dbraw/zinc/34/11/22/158341122.db2.gz BLWGGQNYISPDLH-ZDUSSCGKSA-N 0 0 306.366 0.019 10 0 DCAERN CC(C)n1nnnc1CN1CCN(Cc2ccncc2)CC1 ZINC000162338860 158360915 /nfs/dbraw/zinc/36/09/15/158360915.db2.gz ZEFGPFKHXKXQBR-UHFFFAOYSA-N 0 0 301.398 0.967 10 0 DCAERN COCc1nn(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(=O)o1 ZINC000164465673 158363843 /nfs/dbraw/zinc/36/38/43/158363843.db2.gz MQFPKMQXKSVEGX-MRVPVSSYSA-N 0 0 323.271 0.784 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nncn1C(C)C ZINC000170597853 158374926 /nfs/dbraw/zinc/37/49/26/158374926.db2.gz RXVXUJHQGMWNJR-CYBMUJFWSA-N 0 0 309.414 0.976 10 0 DCAERN Cc1cc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c(C)o1 ZINC000171115558 158381380 /nfs/dbraw/zinc/38/13/80/158381380.db2.gz ZYKWMEXKWNBXJA-UHFFFAOYSA-N 0 0 301.368 0.294 10 0 DCAERN O=C(c1cscn1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000171270496 158381401 /nfs/dbraw/zinc/38/14/01/158381401.db2.gz SXYVUKLRUJSNNU-UHFFFAOYSA-N 0 0 309.391 0.854 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(N)=O)C2)cn1 ZINC000171351311 158381484 /nfs/dbraw/zinc/38/14/84/158381484.db2.gz DKEGXWOARNKLNN-DGCLKSJQSA-N 0 0 305.382 0.874 10 0 DCAERN COC[C@H](C)N(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171925362 158388684 /nfs/dbraw/zinc/38/86/84/158388684.db2.gz BAELECNZBQUPLG-DTWKUNHWSA-N 0 0 311.304 0.826 10 0 DCAERN CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172311141 158393007 /nfs/dbraw/zinc/39/30/07/158393007.db2.gz IEAMAJOGIWHROV-OLZOCXBDSA-N 0 0 307.398 0.906 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000172423585 158394108 /nfs/dbraw/zinc/39/41/08/158394108.db2.gz QLUQIXWPXHFWDV-GXFFZTMASA-N 0 0 321.352 0.716 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172439198 158394168 /nfs/dbraw/zinc/39/41/68/158394168.db2.gz CSXGUKXLJNQGLR-QWRGUYRKSA-N 0 0 304.412 0.218 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000172441709 158394813 /nfs/dbraw/zinc/39/48/13/158394813.db2.gz CDXJOZUPDJKGSD-JTQLQIEISA-N 0 0 318.377 0.654 10 0 DCAERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)N[C@@H]1CCc2ncnn2C1 ZINC000172605134 158396618 /nfs/dbraw/zinc/39/66/18/158396618.db2.gz WSACTSNPWHDPQR-UXIGCNINSA-N 0 0 313.361 0.550 10 0 DCAERN CCc1cnc(CCNC(=O)CN2CCCS2(=O)=O)s1 ZINC000173036240 158402342 /nfs/dbraw/zinc/40/23/42/158402342.db2.gz XVYAAFFJFLVMAV-UHFFFAOYSA-N 0 0 317.436 0.400 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000173027598 158402367 /nfs/dbraw/zinc/40/23/67/158402367.db2.gz XKXWIRANACRVIP-NEPJUHHUSA-N 0 0 318.439 0.717 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOC1CCOCC1)CC2 ZINC000175418006 158427795 /nfs/dbraw/zinc/42/77/95/158427795.db2.gz GEIDUFAACFCASM-LBPRGKRZSA-N 0 0 322.409 0.857 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1nc2ccccc2n1C ZINC000176187829 158434473 /nfs/dbraw/zinc/43/44/73/158434473.db2.gz IFFRKPGBOSBQTP-UHFFFAOYSA-N 0 0 311.345 0.941 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)c2cccs2)C1 ZINC000176924333 158443631 /nfs/dbraw/zinc/44/36/31/158443631.db2.gz MBSPUFCDUWQQTQ-UHFFFAOYSA-N 0 0 312.391 0.742 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2[nH]c(CC)c(C(=O)OC)c2C)C1 ZINC000178127642 158454707 /nfs/dbraw/zinc/45/47/07/158454707.db2.gz JUOBQQVPUOXDFV-UHFFFAOYSA-N 0 0 321.377 0.880 10 0 DCAERN CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179340002 158471422 /nfs/dbraw/zinc/47/14/22/158471422.db2.gz PMHHGKVCSRPSDR-LBPRGKRZSA-N 0 0 312.391 0.710 10 0 DCAERN CCCNC(=O)[C@@H](C)[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180250659 158477474 /nfs/dbraw/zinc/47/74/74/158477474.db2.gz QLIVGWOHNGCZOP-LILOVNGRSA-N 0 0 304.441 0.768 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000184563952 158509842 /nfs/dbraw/zinc/50/98/42/158509842.db2.gz JKXPRPHCPJWPKJ-UHFFFAOYSA-N 0 0 307.379 0.752 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186095337 158527212 /nfs/dbraw/zinc/52/72/12/158527212.db2.gz GRWYWFQALHHMBH-KRWDZBQOSA-N 0 0 318.373 0.743 10 0 DCAERN COc1cc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)ccc1C ZINC000189103359 158549960 /nfs/dbraw/zinc/54/99/60/158549960.db2.gz RUOBGJALFJDBMX-HUUCEWRRSA-N 0 0 320.389 0.644 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)n[nH]1 ZINC000189183139 158550309 /nfs/dbraw/zinc/55/03/09/158550309.db2.gz LAPJRYQWFNZSOE-GFCCVEGCSA-N 0 0 314.411 0.206 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1=O ZINC000189705321 158554369 /nfs/dbraw/zinc/55/43/69/158554369.db2.gz MOERFZRACKBTCT-LBPRGKRZSA-N 0 0 305.382 0.235 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000190169150 158558381 /nfs/dbraw/zinc/55/83/81/158558381.db2.gz IUFURWPFVCEMFG-BARDWOONSA-N 0 0 324.421 0.561 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cn1 ZINC000246960478 158674629 /nfs/dbraw/zinc/67/46/29/158674629.db2.gz IUXHEWFLETYSSB-RYUDHWBXSA-N 0 0 306.366 0.458 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CCCCO)cc1 ZINC000276267338 158925143 /nfs/dbraw/zinc/92/51/43/158925143.db2.gz ULFSUQKYWNGCFQ-UHFFFAOYSA-N 0 0 300.380 0.439 10 0 DCAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC(CO)CO ZINC000285178972 158963896 /nfs/dbraw/zinc/96/38/96/158963896.db2.gz MTJUNBOVHDDFPE-TZMCWYRMSA-N 0 0 311.382 0.401 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)C[C@H](C)O1 ZINC000312236709 158995391 /nfs/dbraw/zinc/99/53/91/158995391.db2.gz AWDBXZASCZVMKB-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CCN1CCO ZINC000328641078 159016564 /nfs/dbraw/zinc/01/65/64/159016564.db2.gz CZVJSKJOVHPNRQ-VIFPVBQESA-N 0 0 307.329 0.236 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000328657482 159017378 /nfs/dbraw/zinc/01/73/78/159017378.db2.gz PBWPGPRMPZAMDB-CABCVRRESA-N 0 0 322.430 0.906 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673297 159019573 /nfs/dbraw/zinc/01/95/73/159019573.db2.gz OZWGHDIQWQALNF-CVEARBPZSA-N 0 0 318.421 0.964 10 0 DCAERN CCc1nnc(CN2CCN(Cc3nccn3C)CC2)n1C ZINC000328678224 159020324 /nfs/dbraw/zinc/02/03/24/159020324.db2.gz SRIPMUHBDXMUQT-UHFFFAOYSA-N 0 0 303.414 0.429 10 0 DCAERN C[C@@H](CC(=O)N1CCN2C(=O)N=NC2C1)N1CCCCC1=O ZINC000328745538 159025778 /nfs/dbraw/zinc/02/57/78/159025778.db2.gz KYSSDDFUXALMBN-JTQLQIEISA-N 0 0 307.354 0.117 10 0 DCAERN C[C@H](CC(=O)N1CCN2CCOC[C@H]2C1)N1CCCCC1=O ZINC000328753559 159026251 /nfs/dbraw/zinc/02/62/51/159026251.db2.gz NUNIXIDTNJVCAV-ZIAGYGMSSA-N 0 0 309.410 0.321 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000328770436 159028225 /nfs/dbraw/zinc/02/82/25/159028225.db2.gz IXRVSINZRBZIMH-NEPJUHHUSA-N 0 0 311.382 0.185 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)no1 ZINC000328839377 159033089 /nfs/dbraw/zinc/03/30/89/159033089.db2.gz OGODFDZWXVNEBU-STQMWFEESA-N 0 0 315.395 0.218 10 0 DCAERN O=S(=O)(CC1CC1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000328835575 159033252 /nfs/dbraw/zinc/03/32/52/159033252.db2.gz MJHZCSXXOJGAAG-GFCCVEGCSA-N 0 0 300.384 0.147 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3csc4cncn43)C[C@@H]21 ZINC000328884747 159038201 /nfs/dbraw/zinc/03/82/01/159038201.db2.gz OAQOJQMIJBGAAW-JQWIXIFHSA-N 0 0 306.391 0.941 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000328907146 159039636 /nfs/dbraw/zinc/03/96/36/159039636.db2.gz LHMRKWSTYJDJIB-SUNKGSAMSA-N 0 0 306.366 0.187 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC(=O)N1C ZINC000328903933 159040124 /nfs/dbraw/zinc/04/01/24/159040124.db2.gz IPERLNHSLGRGGJ-OXIQGZBJSA-N 0 0 318.377 0.329 10 0 DCAERN Cn1cnn(CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O ZINC000328952249 159046009 /nfs/dbraw/zinc/04/60/09/159046009.db2.gz XPFYLHAISBWLAZ-IUODEOHRSA-N 0 0 308.382 0.126 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2CC[C@H](CCO)C2)CC(=O)N1C ZINC000328953847 159046020 /nfs/dbraw/zinc/04/60/20/159046020.db2.gz MPBIROQZVYEESU-TYNCELHUSA-N 0 0 320.393 0.170 10 0 DCAERN CCc1nnc([C@H](C)N2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985440 159050237 /nfs/dbraw/zinc/05/02/37/159050237.db2.gz ZRURFMPGGXGVSE-FZMZJTMJSA-N 0 0 306.370 0.812 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329047033 159054523 /nfs/dbraw/zinc/05/45/23/159054523.db2.gz QECFBJZWQKOPDK-RBSFLKMASA-N 0 0 321.421 0.463 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC(=O)N1 ZINC000329131755 159065574 /nfs/dbraw/zinc/06/55/74/159065574.db2.gz XYQMIVNXBLVUGB-LLVKDONJSA-N 0 0 323.374 0.603 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000329163286 159068735 /nfs/dbraw/zinc/06/87/35/159068735.db2.gz GEZITBRYFOHHDJ-RTXFEEFZSA-N 0 0 323.397 0.122 10 0 DCAERN C[C@H]1C[C@H](C)CN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)C1 ZINC000329194451 159072326 /nfs/dbraw/zinc/07/23/26/159072326.db2.gz SXOQANDNHPKUFM-XDQVBPFNSA-N 0 0 314.451 0.610 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2)C[C@@H](C)S1(=O)=O ZINC000329251056 159076495 /nfs/dbraw/zinc/07/64/95/159076495.db2.gz XWJOXFBPUDNTCO-MXWKQRLJSA-N 0 0 302.396 0.920 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000329256663 159076854 /nfs/dbraw/zinc/07/68/54/159076854.db2.gz XQYRIPWKHUTCIQ-QWHCGFSZSA-N 0 0 314.411 0.814 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2 ZINC000329285358 159079294 /nfs/dbraw/zinc/07/92/94/159079294.db2.gz LSLKJLCIIMRCMZ-WDEREUQCSA-N 0 0 313.427 0.852 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000329295233 159080655 /nfs/dbraw/zinc/08/06/55/159080655.db2.gz JXPBRECUDBWIGX-STQMWFEESA-N 0 0 306.366 0.869 10 0 DCAERN CN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@H]1CCOC1 ZINC000329325239 159082158 /nfs/dbraw/zinc/08/21/58/159082158.db2.gz STDFPVKUVMJLCZ-YNEHKIRRSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCS1(=O)=O ZINC000329403242 159089813 /nfs/dbraw/zinc/08/98/13/159089813.db2.gz CBKPZOSSXFIWOZ-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329453592 159094841 /nfs/dbraw/zinc/09/48/41/159094841.db2.gz NQIYQDKLWXXKQD-QWRGUYRKSA-N 0 0 311.407 0.672 10 0 DCAERN CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000329478881 159096142 /nfs/dbraw/zinc/09/61/42/159096142.db2.gz QHEMKOGDUNJIOV-XQHKEYJVSA-N 0 0 301.408 0.695 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)O1 ZINC000329535033 159101020 /nfs/dbraw/zinc/10/10/20/159101020.db2.gz ZAIQSHNLGKLWQQ-QWQWKMKNSA-N 0 0 323.393 0.785 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000329592338 159105675 /nfs/dbraw/zinc/10/56/75/159105675.db2.gz UICGEGRNYOLCRN-QLFBSQMISA-N 0 0 324.421 0.776 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000329594224 159105712 /nfs/dbraw/zinc/10/57/12/159105712.db2.gz ONFYPUALNVIRKN-UPJWGTAASA-N 0 0 306.428 0.194 10 0 DCAERN CN1CCOC[C@@H]1c1nc(Cc2nnc3n2CCCCC3)no1 ZINC000329693054 159113232 /nfs/dbraw/zinc/11/32/32/159113232.db2.gz AVGCXXFVHBOMJE-LLVKDONJSA-N 0 0 318.381 0.981 10 0 DCAERN O=S(=O)(N[C@H]1CCCC[C@H]1O)c1cnn2c1OCCC2 ZINC000329740988 159115880 /nfs/dbraw/zinc/11/58/80/159115880.db2.gz VRYFIGWJZJSAMP-VHSXEESVSA-N 0 0 301.368 0.247 10 0 DCAERN Cn1[nH]c(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)nc1=O ZINC000329792740 159120361 /nfs/dbraw/zinc/12/03/61/159120361.db2.gz VGKAUXUUMVAQOJ-LBPRGKRZSA-N 0 0 307.335 0.342 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329889613 159126628 /nfs/dbraw/zinc/12/66/28/159126628.db2.gz DUXYSWLNSMXGAJ-BXUZGUMPSA-N 0 0 314.407 0.316 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000329954819 159131491 /nfs/dbraw/zinc/13/14/91/159131491.db2.gz NYSDSTRCHDZCDA-SOUVJXGZSA-N 0 0 320.393 0.041 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@H](c2ncon2)C1)N1CCCCC1=O ZINC000330018829 159136256 /nfs/dbraw/zinc/13/62/56/159136256.db2.gz UDRLLCAHRMPMAE-RYUDHWBXSA-N 0 0 322.365 0.761 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCN1CCO ZINC000330056406 159139019 /nfs/dbraw/zinc/13/90/19/159139019.db2.gz VUZVVZXIRFMYDX-CWRNSKLLSA-N 0 0 319.405 0.684 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330191859 159148725 /nfs/dbraw/zinc/14/87/25/159148725.db2.gz XKBMHHIQXQSHQF-NEPJUHHUSA-N 0 0 314.411 0.883 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H]1CCCO1 ZINC000330198029 159149738 /nfs/dbraw/zinc/14/97/38/159149738.db2.gz SQAYTWZNAMMKTE-UONOGXRCSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1c(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)cnn1C ZINC000330211351 159150338 /nfs/dbraw/zinc/15/03/38/159150338.db2.gz JDJBGQBFQDBPGV-NSHDSACASA-N 0 0 310.383 0.173 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@@H](COC)OC(C)(C)C1 ZINC000330387876 159167259 /nfs/dbraw/zinc/16/72/59/159167259.db2.gz CDYMEDHRCYUYKH-NSHDSACASA-N 0 0 317.411 0.718 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330547476 159190514 /nfs/dbraw/zinc/19/05/14/159190514.db2.gz ZVCLUBCYPQIVAS-CMPLNLGQSA-N 0 0 309.366 0.535 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000330602143 159200894 /nfs/dbraw/zinc/20/08/94/159200894.db2.gz ITKIFEOJCNZLSR-CQSZACIVSA-N 0 0 319.409 0.902 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000332797619 159213379 /nfs/dbraw/zinc/21/33/79/159213379.db2.gz MIZKNPUOBNSKGN-OLZOCXBDSA-N 0 0 307.394 0.562 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000332932205 159217133 /nfs/dbraw/zinc/21/71/33/159217133.db2.gz YXMVOTVJZOZNTC-CHWSQXEVSA-N 0 0 319.409 0.374 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@@]2(CNC(=O)C2)C1)NC(=O)C1CCCC1 ZINC000332918995 159217377 /nfs/dbraw/zinc/21/73/77/159217377.db2.gz AWQVFLXXVJHBPN-YVEFUNNKSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000332995212 159218874 /nfs/dbraw/zinc/21/88/74/159218874.db2.gz CNYWOBYCYNNDQA-CMPLNLGQSA-N 0 0 320.397 0.912 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000332995214 159219001 /nfs/dbraw/zinc/21/90/01/159219001.db2.gz CNYWOBYCYNNDQA-JQWIXIFHSA-N 0 0 320.397 0.912 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000359248315 159256662 /nfs/dbraw/zinc/25/66/62/159256662.db2.gz GOTFBWRFNQJYIR-YWDSYVAPSA-N 0 0 310.394 0.827 10 0 DCAERN Cn1cc(C[C@@H]2CCN(c3nc4c(cnn4C)c(N)n3)C2)cn1 ZINC000364972824 159277001 /nfs/dbraw/zinc/27/70/01/159277001.db2.gz OMNURFNYEVKCDU-JTQLQIEISA-N 0 0 312.381 0.748 10 0 DCAERN CN(CCCO)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000367030751 159306742 /nfs/dbraw/zinc/30/67/42/159306742.db2.gz QQWBGLBEBCGPIY-AWEZNQCLSA-N 0 0 305.378 0.775 10 0 DCAERN CN(CCCO)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367037492 159308202 /nfs/dbraw/zinc/30/82/02/159308202.db2.gz SUBALXDBSZYTEV-NSHDSACASA-N 0 0 302.371 0.463 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCCN(CC(F)F)CC1 ZINC000367263888 159326379 /nfs/dbraw/zinc/32/63/79/159326379.db2.gz WLDSOIDFCWEVRE-LLVKDONJSA-N 0 0 321.393 0.707 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)on1 ZINC000367757686 159354561 /nfs/dbraw/zinc/35/45/61/159354561.db2.gz AVEAPVKLCQGZIP-NDMJEZRESA-N 0 0 306.366 0.834 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC[C@@](F)(CO)C1)N1CCCC1=O ZINC000367862191 159360770 /nfs/dbraw/zinc/36/07/70/159360770.db2.gz HBOQCZNDHBRWKN-ZFWWWQNUSA-N 0 0 300.374 0.956 10 0 DCAERN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cccc(O)c2)C1=O ZINC000367998873 159369913 /nfs/dbraw/zinc/36/99/13/159369913.db2.gz IIHNUROZGKWHPZ-BZNIZROVSA-N 0 0 317.345 0.843 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000368211249 159382048 /nfs/dbraw/zinc/38/20/48/159382048.db2.gz CRQQWBXOOPXPSS-MRXNPFEDSA-N 0 0 303.406 0.628 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368834690 159422245 /nfs/dbraw/zinc/42/22/45/159422245.db2.gz PEHUVTDZQAQMAX-INIZCTEOSA-N 0 0 318.421 0.979 10 0 DCAERN O=C(CCCc1nc(C2CC2)no1)N1CCN2CCOC[C@H]2C1 ZINC000371794116 159586478 /nfs/dbraw/zinc/58/64/78/159586478.db2.gz DRLWIKLHJNSSJZ-CYBMUJFWSA-N 0 0 320.393 0.813 10 0 DCAERN O=C([C@H](O)CCc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000371870733 159591530 /nfs/dbraw/zinc/59/15/30/159591530.db2.gz SMBPDEPNFZSLJN-JKSUJKDBSA-N 0 0 304.390 0.523 10 0 DCAERN O=C(c1ccc(N2CCCC2)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000371870270 159591683 /nfs/dbraw/zinc/59/16/83/159591683.db2.gz OWDYMJKLYPTZCX-HNNXBMFYSA-N 0 0 316.405 0.838 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC000373180772 159666926 /nfs/dbraw/zinc/66/69/26/159666926.db2.gz WKIMGLYXMDOTRX-YNEHKIRRSA-N 0 0 318.439 0.730 10 0 DCAERN COc1ccc(C)nc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373334452 159676203 /nfs/dbraw/zinc/67/62/03/159676203.db2.gz UPYAWUNAJHLYFA-LBPRGKRZSA-N 0 0 306.366 0.947 10 0 DCAERN CCOC(=O)NCCC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000373372674 159677872 /nfs/dbraw/zinc/67/78/72/159677872.db2.gz IVNNHBZKUDHWCR-UHFFFAOYSA-N 0 0 310.325 0.992 10 0 DCAERN CCOCCC1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000373389335 159678334 /nfs/dbraw/zinc/67/83/34/159678334.db2.gz BOPICACPQHGBOJ-AWEZNQCLSA-N 0 0 311.426 0.919 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCCNC(=O)[C@H]2C)cnn1C ZINC000373694180 159693528 /nfs/dbraw/zinc/69/35/28/159693528.db2.gz FCDQUEHGKAOWAD-DYEKYZERSA-N 0 0 320.393 0.543 10 0 DCAERN C[C@H]1CCOCCN1C(=O)NCCNC(=O)c1cccnc1 ZINC000374990784 159764440 /nfs/dbraw/zinc/76/44/40/159764440.db2.gz VEMDGGSXQSPBLX-LBPRGKRZSA-N 0 0 306.366 0.632 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000375214710 159778063 /nfs/dbraw/zinc/77/80/63/159778063.db2.gz KYQDUBCGBVPFFU-OAHLLOKOSA-N 0 0 310.419 0.841 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000407952870 159995002 /nfs/dbraw/zinc/99/50/02/159995002.db2.gz JWDRXISDEBQHER-OCCSQVGLSA-N 0 0 309.410 0.664 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)O1 ZINC000407959765 159997271 /nfs/dbraw/zinc/99/72/71/159997271.db2.gz SYZCFMHGJHEFRX-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC(=O)N1C ZINC000407973604 159999691 /nfs/dbraw/zinc/99/96/91/159999691.db2.gz YRRPRRPBYIUSPZ-QWHCGFSZSA-N 0 0 323.437 0.960 10 0 DCAERN CO[C@@H](C)c1nsc(N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000407973807 160000125 /nfs/dbraw/zinc/00/01/25/160000125.db2.gz BHPLEQJKLMFLNN-JGVFFNPUSA-N 0 0 306.413 0.503 10 0 DCAERN C[C@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CC(=O)N1C ZINC000407970714 160000180 /nfs/dbraw/zinc/00/01/80/160000180.db2.gz LTJVNTICTNTQRW-JTQLQIEISA-N 0 0 302.396 0.033 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@H](C)C1)C(=O)N1CCCC[C@H]1C ZINC000407972060 160000225 /nfs/dbraw/zinc/00/02/25/160000225.db2.gz RVQKPXRWVGPEJA-UPJWGTAASA-N 0 0 324.425 0.648 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407976448 160000529 /nfs/dbraw/zinc/00/05/29/160000529.db2.gz ZYECOUCXHCYSBY-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000407978522 160001633 /nfs/dbraw/zinc/00/16/33/160001633.db2.gz ZINQKOIOYLEJQQ-NEPJUHHUSA-N 0 0 303.428 0.562 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000407979426 160001901 /nfs/dbraw/zinc/00/19/01/160001901.db2.gz ZPGSGAIWOWWYIZ-TZMCWYRMSA-N 0 0 323.437 0.864 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)C1 ZINC000407987281 160003591 /nfs/dbraw/zinc/00/35/91/160003591.db2.gz XLFGGUGPMGHSRT-HBNTYKKESA-N 0 0 311.382 0.685 10 0 DCAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000407985619 160003708 /nfs/dbraw/zinc/00/37/08/160003708.db2.gz PDMFFEAQBQSLLX-CYBMUJFWSA-N 0 0 324.425 0.601 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986311 160003758 /nfs/dbraw/zinc/00/37/58/160003758.db2.gz SPJRPBLVEDEDDL-NWDGAFQWSA-N 0 0 310.394 0.697 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCO1 ZINC000407989923 160004100 /nfs/dbraw/zinc/00/41/00/160004100.db2.gz JARPYYLEZAHQLH-MNOVXSKESA-N 0 0 300.355 0.527 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000407993046 160005129 /nfs/dbraw/zinc/00/51/29/160005129.db2.gz WIBFPAXOYFYPOF-AWEZNQCLSA-N 0 0 311.426 0.160 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000407992148 160005213 /nfs/dbraw/zinc/00/52/13/160005213.db2.gz ZSQQQYYWVVOFKN-NEPJUHHUSA-N 0 0 309.410 0.666 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000407997444 160006786 /nfs/dbraw/zinc/00/67/86/160006786.db2.gz OVZXPKNSZIGQOU-GFCCVEGCSA-N 0 0 314.411 0.133 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000407999372 160006864 /nfs/dbraw/zinc/00/68/64/160006864.db2.gz VQQUDZJXMTXLKV-UHFFFAOYSA-N 0 0 323.418 0.899 10 0 DCAERN COC(=O)C12CCC(C(=O)N[C@H]3CCC(=O)NC3)(CC1)CC2 ZINC000408000645 160007810 /nfs/dbraw/zinc/00/78/10/160007810.db2.gz FNYMKOVNQCHIFW-SOISORPOSA-N 0 0 308.378 0.895 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408004055 160008605 /nfs/dbraw/zinc/00/86/05/160008605.db2.gz LBWZXBNFIWNEPX-RDBSUJKOSA-N 0 0 309.410 0.923 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000408011457 160010314 /nfs/dbraw/zinc/01/03/14/160010314.db2.gz RFKUGYUFFXZGPI-STQMWFEESA-N 0 0 318.439 0.279 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000408011455 160010485 /nfs/dbraw/zinc/01/04/85/160010485.db2.gz RFKUGYUFFXZGPI-OLZOCXBDSA-N 0 0 318.439 0.279 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cnc(N(C)C)nc2)[C@@H](C)C1 ZINC000408014052 160010919 /nfs/dbraw/zinc/01/09/19/160010919.db2.gz QWLQKOZYEUXJCV-JTQLQIEISA-N 0 0 306.370 0.627 10 0 DCAERN CC[C@@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@H]1O ZINC000408018413 160013322 /nfs/dbraw/zinc/01/33/22/160013322.db2.gz RJIPJDGIHLTTPD-ZWNOBZJWSA-N 0 0 301.346 0.776 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408022170 160013509 /nfs/dbraw/zinc/01/35/09/160013509.db2.gz KPJALNHZOVRLAF-KBPBESRZSA-N 0 0 321.377 0.249 10 0 DCAERN NS(=O)(=O)N1CCN(Cc2nc3cccnc3s2)CC1 ZINC000408023082 160013620 /nfs/dbraw/zinc/01/36/20/160013620.db2.gz OTVYWCKHDPXONO-UHFFFAOYSA-N 0 0 313.408 0.012 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)NC ZINC000408022592 160013688 /nfs/dbraw/zinc/01/36/88/160013688.db2.gz URHYYYRJWLTKNE-WDEREUQCSA-N 0 0 313.423 0.425 10 0 DCAERN Cc1noc([C@H]2CN(S(=O)(=O)CCCF)CCN2C)n1 ZINC000408026423 160014648 /nfs/dbraw/zinc/01/46/48/160014648.db2.gz DWZMRAAKSZITHE-SNVBAGLBSA-N 0 0 306.363 0.356 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408026446 160015066 /nfs/dbraw/zinc/01/50/66/160015066.db2.gz DYYKYLQMPNJLKY-JQWIXIFHSA-N 0 0 319.427 0.229 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408027888 160015645 /nfs/dbraw/zinc/01/56/45/160015645.db2.gz PMVQZHTXDROXDL-MQYQWHSLSA-N 0 0 320.455 0.945 10 0 DCAERN C[C@@H]1CN(c2cnn(C)c(=O)c2Br)C[C@H]1C(N)=O ZINC000408034328 160017452 /nfs/dbraw/zinc/01/74/52/160017452.db2.gz FGASNEVBNKWWKE-RNFRBKRXSA-N 0 0 315.171 0.100 10 0 DCAERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccc(C(N)=O)cn1 ZINC000408033815 160018046 /nfs/dbraw/zinc/01/80/46/160018046.db2.gz QDYQTSLMAAYOCL-XEZPLFJOSA-N 0 0 305.378 0.937 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408040564 160019429 /nfs/dbraw/zinc/01/94/29/160019429.db2.gz CEFWNRPOQZVSLI-XQQFMLRXSA-N 0 0 309.414 0.790 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000408037984 160019497 /nfs/dbraw/zinc/01/94/97/160019497.db2.gz HQDDZQRKIGSETQ-LBPRGKRZSA-N 0 0 304.394 0.775 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCCN2C)C1 ZINC000408042286 160020345 /nfs/dbraw/zinc/02/03/45/160020345.db2.gz RDZYEKIVIIIFLL-GKYBTWCOSA-N 0 0 302.440 0.513 10 0 DCAERN Cc1cn2cc(C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)sc2n1 ZINC000408043934 160021288 /nfs/dbraw/zinc/02/12/88/160021288.db2.gz LOKKOFZKVQQRFG-SNVBAGLBSA-N 0 0 322.390 0.369 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000408044408 160021793 /nfs/dbraw/zinc/02/17/93/160021793.db2.gz NOQMOPOLLVLTOG-DOMZBBRYSA-N 0 0 302.374 0.768 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1=O ZINC000408047404 160023248 /nfs/dbraw/zinc/02/32/48/160023248.db2.gz GSOUTGZHTHPCSJ-BXUZGUMPSA-N 0 0 306.366 0.536 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)C1CCN(CC(F)(F)F)CC1 ZINC000408051686 160023383 /nfs/dbraw/zinc/02/33/83/160023383.db2.gz IPJWSXVQJKKEKQ-SNVBAGLBSA-N 0 0 307.316 0.656 10 0 DCAERN CC[C@@H](OC)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050060 160023725 /nfs/dbraw/zinc/02/37/25/160023725.db2.gz CDXGXHVDDSSQPC-GRYCIOLGSA-N 0 0 302.346 0.209 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NC[C@@]2(C)CCCS2)C1 ZINC000408050090 160023809 /nfs/dbraw/zinc/02/38/09/160023809.db2.gz AKJJHFQDDZWMKL-KGLIPLIRSA-N 0 0 300.424 0.762 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCS1 ZINC000408054363 160024337 /nfs/dbraw/zinc/02/43/37/160024337.db2.gz RMLBOKXOOVLNED-TZMCWYRMSA-N 0 0 300.424 0.714 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408055527 160025222 /nfs/dbraw/zinc/02/52/22/160025222.db2.gz VOMOPRUYXUAPKV-JHJVBQTASA-N 0 0 309.410 0.605 10 0 DCAERN Cc1ccn2cc(C(=O)N3CCC[C@@](O)(C(N)=O)C3)nc2c1 ZINC000408057335 160025287 /nfs/dbraw/zinc/02/52/87/160025287.db2.gz SVNKCSRHBHGSJW-HNNXBMFYSA-N 0 0 302.334 0.095 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408054995 160025296 /nfs/dbraw/zinc/02/52/96/160025296.db2.gz VVGTZUJXCRPUDT-WQVCFCJDSA-N 0 0 312.410 0.680 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](NC(C)=O)C2)nc1C ZINC000408059597 160025845 /nfs/dbraw/zinc/02/58/45/160025845.db2.gz RAWULXPREKPCLB-LBPRGKRZSA-N 0 0 314.411 0.501 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408064954 160026566 /nfs/dbraw/zinc/02/65/66/160026566.db2.gz MUPZUUPGORCAMW-FPCVCCKLSA-N 0 0 324.421 0.776 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000408063712 160026613 /nfs/dbraw/zinc/02/66/13/160026613.db2.gz RXTNCIVMWHSZKD-STQMWFEESA-N 0 0 305.382 0.700 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408066322 160027077 /nfs/dbraw/zinc/02/70/77/160027077.db2.gz XDKYSVSNANOZTL-BFHYXJOUSA-N 0 0 310.394 0.291 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@H]3CCO[C@H](C)C3)nc2n1 ZINC000408077332 160030860 /nfs/dbraw/zinc/03/08/60/160030860.db2.gz WJDZAKBHRQVQMY-NEPJUHHUSA-N 0 0 303.366 0.967 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408080694 160031468 /nfs/dbraw/zinc/03/14/68/160031468.db2.gz PINFEBKMNSGNPT-BDAKNGLRSA-N 0 0 315.420 0.695 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)C[C@@H]1O ZINC000408087457 160032631 /nfs/dbraw/zinc/03/26/31/160032631.db2.gz DWKKHFKXOWBJCY-YGRLFVJLSA-N 0 0 309.391 0.965 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1C ZINC000408087601 160032790 /nfs/dbraw/zinc/03/27/90/160032790.db2.gz FDNLZXZXFAFWKZ-SKDRFNHKSA-N 0 0 316.379 0.203 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H]1O ZINC000408089798 160033495 /nfs/dbraw/zinc/03/34/95/160033495.db2.gz AKNWQIOXOQIUSA-LDYMZIIASA-N 0 0 316.354 0.316 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C[C@@H]1O ZINC000408091868 160034194 /nfs/dbraw/zinc/03/41/94/160034194.db2.gz QRRZATOEWHUDDU-WTIISPKJSA-N 0 0 318.439 0.755 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1O ZINC000408091625 160034424 /nfs/dbraw/zinc/03/44/24/160034424.db2.gz VSFCTYPMFPYYKY-ZWNOBZJWSA-N 0 0 323.378 0.054 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](C)[C@@H](O)C2)C1=O ZINC000408094680 160034487 /nfs/dbraw/zinc/03/44/87/160034487.db2.gz TXAHJYUUHMCGDI-QWRGUYRKSA-N 0 0 311.382 0.326 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408097421 160035203 /nfs/dbraw/zinc/03/52/03/160035203.db2.gz NEJKERJMCHJDRU-LBPRGKRZSA-N 0 0 307.398 0.921 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)C2)c(Cl)c1 ZINC000408099397 160035946 /nfs/dbraw/zinc/03/59/46/160035946.db2.gz KSANLAUXPOSYJO-MRVPVSSYSA-N 0 0 318.782 0.584 10 0 DCAERN C[C@H]1CC[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000408102761 160035947 /nfs/dbraw/zinc/03/59/47/160035947.db2.gz CQJVZFUQICGKQS-XYPYZODXSA-N 0 0 303.366 0.825 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000408099594 160035982 /nfs/dbraw/zinc/03/59/82/160035982.db2.gz XDXXOKCKIIFHPE-CYBMUJFWSA-N 0 0 321.381 0.033 10 0 DCAERN C[C@H]1CCCCCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000408115616 160039608 /nfs/dbraw/zinc/03/96/08/160039608.db2.gz PEEWXDZWXUVXRV-JTQLQIEISA-N 0 0 300.384 0.322 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000408118469 160040274 /nfs/dbraw/zinc/04/02/74/160040274.db2.gz SAAJPQRQGLJXPD-NSHDSACASA-N 0 0 321.377 0.030 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC[C@](F)(CO)C1 ZINC000408121088 160041011 /nfs/dbraw/zinc/04/10/11/160041011.db2.gz KVAZWHGRYIYIMX-OAHLLOKOSA-N 0 0 323.324 0.772 10 0 DCAERN CC1CCN(S(=O)(=O)NC2CCC(C(N)=O)CC2)CC1 ZINC000408122656 160041895 /nfs/dbraw/zinc/04/18/95/160041895.db2.gz YKUYKRZIIORYOB-UHFFFAOYSA-N 0 0 303.428 0.597 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000408129454 160043387 /nfs/dbraw/zinc/04/33/87/160043387.db2.gz PPHOHYMQPAKMNW-QWRGUYRKSA-N 0 0 313.423 0.283 10 0 DCAERN Nc1nccnc1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408130110 160043530 /nfs/dbraw/zinc/04/35/30/160043530.db2.gz CLWMOPMIMOJTDA-LLVKDONJSA-N 0 0 303.366 0.533 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@H]1C ZINC000408134250 160044036 /nfs/dbraw/zinc/04/40/36/160044036.db2.gz RNVGGFRTBAJPGW-QWHCGFSZSA-N 0 0 305.444 0.226 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408134299 160044144 /nfs/dbraw/zinc/04/41/44/160044144.db2.gz SVFOIWDZSUNCPF-GFCCVEGCSA-N 0 0 316.423 0.282 10 0 DCAERN C[C@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H]1CO ZINC000408136632 160045182 /nfs/dbraw/zinc/04/51/82/160045182.db2.gz GHFFYVPIJZNBOM-ONGXEEELSA-N 0 0 309.391 0.582 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408150753 160048149 /nfs/dbraw/zinc/04/81/49/160048149.db2.gz RPKVVTYADUUPQI-ZYHUDNBSSA-N 0 0 313.423 0.077 10 0 DCAERN O=C(NC1CCS(=O)CC1)[C@@H]1COCCN1C1CCCC1 ZINC000408154672 160049310 /nfs/dbraw/zinc/04/93/10/160049310.db2.gz MISCGNNKUPZYCF-BJJGWYPJSA-N 0 0 314.451 0.657 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@H](c2noc(C)n2)C1 ZINC000408153030 160049355 /nfs/dbraw/zinc/04/93/55/160049355.db2.gz HSMDTVWPVSKTFU-JTQLQIEISA-N 0 0 304.372 0.338 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C(=O)N1CCCC[C@H]1C ZINC000408162842 160050397 /nfs/dbraw/zinc/05/03/97/160050397.db2.gz ZWVQGWVDFAZJRP-NDBYEHHHSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1)C(F)(F)F ZINC000408165024 160050945 /nfs/dbraw/zinc/05/09/45/160050945.db2.gz KRBZAROQQYAMRQ-OUAUKWLOSA-N 0 0 321.343 0.996 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)cn1 ZINC000408171784 160052805 /nfs/dbraw/zinc/05/28/05/160052805.db2.gz NSKOBZVZOJIQOC-JQWIXIFHSA-N 0 0 300.380 0.872 10 0 DCAERN CCn1cc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000408181901 160054488 /nfs/dbraw/zinc/05/44/88/160054488.db2.gz GCSRMXVWNFFDJF-SECBINFHSA-N 0 0 301.372 0.058 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000408187509 160055526 /nfs/dbraw/zinc/05/55/26/160055526.db2.gz ODGIWNIZVADLET-LSJOCFKGSA-N 0 0 315.416 0.995 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)CC(=O)N1 ZINC000408200692 160058706 /nfs/dbraw/zinc/05/87/06/160058706.db2.gz DOBMLBCPICSMJE-VWYCJHECSA-N 0 0 321.343 0.996 10 0 DCAERN CCc1c(C(=O)N2CCN3CCOC[C@@H]3C2)[nH]c(C)c1C(N)=O ZINC000408203080 160058957 /nfs/dbraw/zinc/05/89/57/160058957.db2.gz OWNBJMNWWDMGSR-NSHDSACASA-N 0 0 320.393 0.141 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)N1CCN(C)CC1 ZINC000408201975 160059098 /nfs/dbraw/zinc/05/90/98/160059098.db2.gz HCTGMESNFYHERY-CABCVRRESA-N 0 0 320.441 0.153 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000408202913 160059165 /nfs/dbraw/zinc/05/91/65/160059165.db2.gz JXGZGZSLQTZDEJ-MCIONIFRSA-N 0 0 321.421 0.762 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408205449 160059754 /nfs/dbraw/zinc/05/97/54/160059754.db2.gz YGEZDXMVJOXNDV-SNVBAGLBSA-N 0 0 319.404 0.503 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000408206238 160060171 /nfs/dbraw/zinc/06/01/71/160060171.db2.gz SXHDMSRUARGRRV-QWHCGFSZSA-N 0 0 324.425 0.507 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000408208372 160060844 /nfs/dbraw/zinc/06/08/44/160060844.db2.gz WBKUONLALUJNGN-GFCCVEGCSA-N 0 0 311.382 0.592 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000408211165 160060967 /nfs/dbraw/zinc/06/09/67/160060967.db2.gz MZQSNAQQULMWCA-CMPLNLGQSA-N 0 0 304.412 0.366 10 0 DCAERN O=S1(=O)CCN(C[C@H](O)C(F)(F)F)[C@@H]2CCCC[C@H]21 ZINC000408232012 160064470 /nfs/dbraw/zinc/06/44/70/160064470.db2.gz LCWYTUCKKAZGCA-BBBLOLIVSA-N 0 0 301.330 0.951 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCCC[C@H]2C)c(C)nn1C ZINC000408229976 160064598 /nfs/dbraw/zinc/06/45/98/160064598.db2.gz ACQQOAWHSNFTLW-SNVBAGLBSA-N 0 0 316.427 0.946 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000408232116 160064798 /nfs/dbraw/zinc/06/47/98/160064798.db2.gz LXYZCDKELYYWDS-HIFRSBDPSA-N 0 0 319.405 0.568 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1(F)F ZINC000408232527 160065187 /nfs/dbraw/zinc/06/51/87/160065187.db2.gz UMUMSOSZSFPZSE-SCZZXKLOSA-N 0 0 310.366 0.770 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408238696 160066793 /nfs/dbraw/zinc/06/67/93/160066793.db2.gz VVBNPSLOLPDCDZ-RYUDHWBXSA-N 0 0 321.443 0.141 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000408247959 160068941 /nfs/dbraw/zinc/06/89/41/160068941.db2.gz QUTKZBFJXXPVTN-REWJHTLYSA-N 0 0 321.421 0.759 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)CC1=O ZINC000408258245 160070534 /nfs/dbraw/zinc/07/05/34/160070534.db2.gz ZBVZPZFNNBSWSD-UPJWGTAASA-N 0 0 324.425 0.729 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CCO1 ZINC000408258039 160070785 /nfs/dbraw/zinc/07/07/85/160070785.db2.gz XIQAISICYOUTMF-FIXISWKDSA-N 0 0 314.382 0.773 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000408265317 160072242 /nfs/dbraw/zinc/07/22/42/160072242.db2.gz QIALEYLQMNPMSR-RTXFEEFZSA-N 0 0 323.397 0.603 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H](O)C(C)(C)C3)nc2n1 ZINC000408266682 160072714 /nfs/dbraw/zinc/07/27/14/160072714.db2.gz RLQLGKJRIJQQPC-LLVKDONJSA-N 0 0 303.366 0.513 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000408269204 160072825 /nfs/dbraw/zinc/07/28/25/160072825.db2.gz BCLJDQRTUJAMSD-QMMMGPOBSA-N 0 0 307.272 0.236 10 0 DCAERN CC[C@]1(C)CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000408268105 160073021 /nfs/dbraw/zinc/07/30/21/160073021.db2.gz JHWOVASZADLYTL-OUCADQQQSA-N 0 0 318.439 0.684 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC[S@@]1=O ZINC000408273017 160073408 /nfs/dbraw/zinc/07/34/08/160073408.db2.gz MHJVHJHUYCYOEH-WYRIXSBYSA-N 0 0 321.464 0.571 10 0 DCAERN COC1CCN(C(=O)N2CCN(Cc3nc(C)no3)CC2)CC1 ZINC000408284335 160075908 /nfs/dbraw/zinc/07/59/08/160075908.db2.gz XCTKBUIJFCTKLA-UHFFFAOYSA-N 0 0 323.397 0.726 10 0 DCAERN COC1CCN(C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000408283812 160076203 /nfs/dbraw/zinc/07/62/03/160076203.db2.gz PKFJBQYEYCNYHP-UHFFFAOYSA-N 0 0 321.425 0.769 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1C ZINC000408291618 160077325 /nfs/dbraw/zinc/07/73/25/160077325.db2.gz ZTDUVFFVDHLFLG-QWRGUYRKSA-N 0 0 309.370 0.690 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000408292014 160077805 /nfs/dbraw/zinc/07/78/05/160077805.db2.gz BCYBLMODZXZQDI-YZUGKSJVSA-N 0 0 323.393 0.469 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)C1(N3CCOCC3)CCC1)CCO2 ZINC000408298770 160078847 /nfs/dbraw/zinc/07/88/47/160078847.db2.gz QKBVPKWFVXUNHD-PBHICJAKSA-N 0 0 324.421 0.648 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 ZINC000408300501 160079799 /nfs/dbraw/zinc/07/97/99/160079799.db2.gz HPFWBHLFHGZUBJ-ZJUUUORDSA-N 0 0 321.424 0.099 10 0 DCAERN CCn1cnc(S(=O)(=O)NC2CCN(C(C)=O)CC2)c1 ZINC000408302493 160080082 /nfs/dbraw/zinc/08/00/82/160080082.db2.gz ZRQDJSPUUGTHAE-UHFFFAOYSA-N 0 0 300.384 0.192 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CCN1C ZINC000408302817 160080251 /nfs/dbraw/zinc/08/02/51/160080251.db2.gz JHIZONUTQDHIRL-XJKSGUPXSA-N 0 0 321.425 0.845 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408308343 160082590 /nfs/dbraw/zinc/08/25/90/160082590.db2.gz VPNOASWULVEHKV-XQQFMLRXSA-N 0 0 324.425 0.729 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000408317696 160084188 /nfs/dbraw/zinc/08/41/88/160084188.db2.gz HNJVDRSGPDAJTP-MWLCHTKSSA-N 0 0 311.363 0.193 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)c1 ZINC000408323713 160085051 /nfs/dbraw/zinc/08/50/51/160085051.db2.gz BLGCPYKMOYOGAO-UHFFFAOYSA-N 0 0 319.386 0.836 10 0 DCAERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2(O)CCC2)C1 ZINC000408324416 160085349 /nfs/dbraw/zinc/08/53/49/160085349.db2.gz LYTGCOXLZUAYCF-NSHDSACASA-N 0 0 306.366 0.989 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000408324209 160085416 /nfs/dbraw/zinc/08/54/16/160085416.db2.gz JLCBZXXPWUPAQV-WNYYMSAVSA-N 0 0 311.382 0.671 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCc3c(ncn(C)c3=O)C2)n1 ZINC000408325228 160085676 /nfs/dbraw/zinc/08/56/76/160085676.db2.gz XWDMTXGAANNTFW-LBPRGKRZSA-N 0 0 315.377 0.740 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1C ZINC000408330552 160085991 /nfs/dbraw/zinc/08/59/91/160085991.db2.gz NFXJDNZVIFMQTG-OAHLLOKOSA-N 0 0 319.365 0.477 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000408343957 160088895 /nfs/dbraw/zinc/08/88/95/160088895.db2.gz UKXRUSRAFIPYLC-LLVKDONJSA-N 0 0 300.384 0.192 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](OC)C1 ZINC000408345078 160088919 /nfs/dbraw/zinc/08/89/19/160088919.db2.gz FGSSFZLAIWXDIV-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000408345555 160089026 /nfs/dbraw/zinc/08/90/26/160089026.db2.gz LOLXWYMFDABUOZ-UHFFFAOYSA-N 0 0 310.375 0.281 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2(O)CCCC2)C1=O ZINC000408343694 160089039 /nfs/dbraw/zinc/08/90/39/160089039.db2.gz RROFRLZTUKVEBX-NSHDSACASA-N 0 0 306.366 0.337 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408351571 160090474 /nfs/dbraw/zinc/09/04/74/160090474.db2.gz GJSMIIAEOZZAAF-VIFPVBQESA-N 0 0 320.802 0.315 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000408359438 160091623 /nfs/dbraw/zinc/09/16/23/160091623.db2.gz MOAMMFSJPXUXDI-RYUDHWBXSA-N 0 0 304.412 0.198 10 0 DCAERN CCCNS(=O)(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000408362127 160092558 /nfs/dbraw/zinc/09/25/58/160092558.db2.gz LUAOJYMYLAQDGY-NWDGAFQWSA-N 0 0 306.428 0.795 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000408368534 160093759 /nfs/dbraw/zinc/09/37/59/160093759.db2.gz JSYLLBNFRKMSNS-HCWSGVFWSA-N 0 0 311.382 0.814 10 0 DCAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(=O)N1 ZINC000408373347 160094460 /nfs/dbraw/zinc/09/44/60/160094460.db2.gz KZCIGZIDCPRKCV-GXSJLCMTSA-N 0 0 316.361 0.981 10 0 DCAERN CCC1(CC)CN(C(=O)c2csnn2)CCS1(=O)=O ZINC000408378246 160095182 /nfs/dbraw/zinc/09/51/82/160095182.db2.gz CLTZKFIERGQUFN-UHFFFAOYSA-N 0 0 303.409 0.968 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408380583 160095958 /nfs/dbraw/zinc/09/59/58/160095958.db2.gz ARHJDNPKAMIFHA-WPGAZNDASA-N 0 0 318.439 0.469 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCC1=O ZINC000408385886 160097310 /nfs/dbraw/zinc/09/73/10/160097310.db2.gz MPXBLRRFMQLSTC-SNVBAGLBSA-N 0 0 300.318 0.229 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408388453 160097486 /nfs/dbraw/zinc/09/74/86/160097486.db2.gz CIYXZJAKHVBXQA-VIFPVBQESA-N 0 0 302.318 0.572 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2CCCCCC2)n1 ZINC000408389950 160098136 /nfs/dbraw/zinc/09/81/36/160098136.db2.gz PRGIRBKWMSYETO-QWHCGFSZSA-N 0 0 308.382 0.888 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC000408388986 160098476 /nfs/dbraw/zinc/09/84/76/160098476.db2.gz YDQVEMHAFNMLSK-UHFFFAOYSA-N 0 0 320.802 0.350 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000408392810 160099127 /nfs/dbraw/zinc/09/91/27/160099127.db2.gz DAQKPWWNMKLYMQ-INIZCTEOSA-N 0 0 301.346 0.398 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)[C@H](C)CO1 ZINC000408408996 160102644 /nfs/dbraw/zinc/10/26/44/160102644.db2.gz ZBACBFSPMKNHHP-XCJKDKRRSA-N 0 0 324.468 0.231 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CO1 ZINC000408420592 160104420 /nfs/dbraw/zinc/10/44/20/160104420.db2.gz YBZMQEYPWBYVSW-GMTAPVOTSA-N 0 0 306.366 0.640 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408433479 160106698 /nfs/dbraw/zinc/10/66/98/160106698.db2.gz BDHCUNFJELCHFM-OUAUKWLOSA-N 0 0 312.457 0.044 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408431752 160106872 /nfs/dbraw/zinc/10/68/72/160106872.db2.gz BKHBRWBKLVCKQO-ZIAGYGMSSA-N 0 0 319.471 0.494 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 ZINC000408440460 160108649 /nfs/dbraw/zinc/10/86/49/160108649.db2.gz CARFAVFPEYIIFL-LLVKDONJSA-N 0 0 316.423 0.298 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000408439943 160108672 /nfs/dbraw/zinc/10/86/72/160108672.db2.gz WTFITSSSZJOQNV-HZSPNIEDSA-N 0 0 319.471 0.208 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCC[C@@H]2O)N(C(C)=O)C1 ZINC000408443492 160109512 /nfs/dbraw/zinc/10/95/12/160109512.db2.gz OCDXVSMMLNSGSD-KNCOVGOOSA-N 0 0 312.410 0.680 10 0 DCAERN Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c(-c2ccoc2)n1 ZINC000408447514 160110195 /nfs/dbraw/zinc/11/01/95/160110195.db2.gz FTIDSASDEIQXHF-KGLIPLIRSA-N 0 0 316.361 0.835 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](CO)C1 ZINC000408447575 160110213 /nfs/dbraw/zinc/11/02/13/160110213.db2.gz YMVOZZBZXOXXGP-NWDGAFQWSA-N 0 0 323.397 0.639 10 0 DCAERN CCC(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000408453239 160111675 /nfs/dbraw/zinc/11/16/75/160111675.db2.gz PWRAYOMVYMKJCT-ZDUSSCGKSA-N 0 0 322.405 0.843 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000408455388 160111808 /nfs/dbraw/zinc/11/18/08/160111808.db2.gz XNYNKDNZUZVDFO-MRXNPFEDSA-N 0 0 318.377 0.559 10 0 DCAERN CNS(=O)(=O)N1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000408457052 160112581 /nfs/dbraw/zinc/11/25/81/160112581.db2.gz NGLYGVZARPAYQD-ZDUSSCGKSA-N 0 0 321.443 0.002 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408459632 160113003 /nfs/dbraw/zinc/11/30/03/160113003.db2.gz JNCCRZPPVGIEBE-BBBLOLIVSA-N 0 0 309.409 0.432 10 0 DCAERN COCC1(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000408462419 160113435 /nfs/dbraw/zinc/11/34/35/160113435.db2.gz YVNXGJNSVWNCFZ-MNOVXSKESA-N 0 0 302.396 0.238 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408461052 160113571 /nfs/dbraw/zinc/11/35/71/160113571.db2.gz SWNSCBOVKRPNMA-WDEREUQCSA-N 0 0 300.380 0.872 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408464826 160114210 /nfs/dbraw/zinc/11/42/10/160114210.db2.gz FWTMKALZNHHWEI-QWRGUYRKSA-N 0 0 322.365 0.930 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)NCc1cccc(C)n1 ZINC000051710466 286894634 /nfs/dbraw/zinc/89/46/34/286894634.db2.gz APROBVRJDMPZIW-UHFFFAOYSA-N 0 0 314.411 0.519 10 0 DCAERN CC(C)c1noc(CCCNC(=O)CCNS(C)(=O)=O)n1 ZINC000061457257 286901881 /nfs/dbraw/zinc/90/18/81/286901881.db2.gz URVWPFKRONLDNP-UHFFFAOYSA-N 0 0 318.399 0.181 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000068634203 286908780 /nfs/dbraw/zinc/90/87/80/286908780.db2.gz CZISEULKYVDJDB-GHMZBOCLSA-N 0 0 314.430 0.846 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000246232118 297172207 /nfs/dbraw/zinc/17/22/07/297172207.db2.gz SJKAAJJFKZKPSL-WDEREUQCSA-N 0 0 310.441 0.082 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)cc(F)c2)C1 ZINC000091414238 286935965 /nfs/dbraw/zinc/93/59/65/286935965.db2.gz WPHSJYXAKYJIEQ-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)n1 ZINC000121225366 286954360 /nfs/dbraw/zinc/95/43/60/286954360.db2.gz CFMFVCYFTKGYKW-GFCCVEGCSA-N 0 0 308.382 0.851 10 0 DCAERN CCCCNC(=O)Cc1noc(-c2cc(C(N)=O)cn2C)n1 ZINC000128921643 286985560 /nfs/dbraw/zinc/98/55/60/286985560.db2.gz KJQCJWOMMKALIH-UHFFFAOYSA-N 0 0 305.338 0.633 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132267467 287004593 /nfs/dbraw/zinc/00/45/93/287004593.db2.gz KIVSGKHGKIATCT-CYBMUJFWSA-N 0 0 322.409 0.980 10 0 DCAERN CCOC(=O)C(C)(C)NC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131760879 287002011 /nfs/dbraw/zinc/00/20/11/287002011.db2.gz VZZDROGLMYBEOH-NSHDSACASA-N 0 0 306.428 0.589 10 0 DCAERN C[C@@H](Nc1cncc(OCCO)n1)C(=O)NCc1ccccc1 ZINC000131765795 287002028 /nfs/dbraw/zinc/00/20/28/287002028.db2.gz RVFMRQWQHGZWNR-GFCCVEGCSA-N 0 0 316.361 0.965 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000173210073 292491760 /nfs/dbraw/zinc/49/17/60/292491760.db2.gz MEFOHDFSNRLBIR-OLZOCXBDSA-N 0 0 308.444 0.946 10 0 DCAERN Cn1c2cccc(C(=O)Nc3ccc(C(N)=O)nc3)c2oc1=O ZINC000133548278 287011492 /nfs/dbraw/zinc/01/14/92/287011492.db2.gz WWLWKUATFBXLDH-UHFFFAOYSA-N 0 0 312.285 0.878 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000135512695 287022841 /nfs/dbraw/zinc/02/28/41/287022841.db2.gz OMAVRLFHRCUMDB-AAEUAGOBSA-N 0 0 301.412 0.676 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000137079009 287027395 /nfs/dbraw/zinc/02/73/95/287027395.db2.gz UBHHMWJQUWMCJS-UHFFFAOYSA-N 0 0 318.308 0.931 10 0 DCAERN C[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CCS1 ZINC000153503028 287050481 /nfs/dbraw/zinc/05/04/81/287050481.db2.gz TVXPFNYORKPKSR-JTQLQIEISA-N 0 0 306.453 0.958 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245540529 287070564 /nfs/dbraw/zinc/07/05/64/287070564.db2.gz KHYYETCLPGZJMS-UPJWGTAASA-N 0 0 322.471 0.973 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)C1 ZINC000246388265 287082568 /nfs/dbraw/zinc/08/25/68/287082568.db2.gz JOUUINKVNUORER-AVGNSLFASA-N 0 0 317.455 0.688 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000246690747 287086758 /nfs/dbraw/zinc/08/67/58/287086758.db2.gz MVRTTZFYZRDXIV-SDDRHHMPSA-N 0 0 300.424 0.965 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CCOC[C@H]3C)CCO2)[nH]1 ZINC000248831598 287102071 /nfs/dbraw/zinc/10/20/71/287102071.db2.gz MGAHKQOOQWBEJR-WOPDTQHZSA-N 0 0 308.382 0.940 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000248877092 287102585 /nfs/dbraw/zinc/10/25/85/287102585.db2.gz QZKPNAVJFJTMBD-UPJWGTAASA-N 0 0 320.393 0.704 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000248906666 287103040 /nfs/dbraw/zinc/10/30/40/287103040.db2.gz IEEGCZRIFQXHIM-RFQIPJPRSA-N 0 0 320.455 0.583 10 0 DCAERN CO[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@H](C)OC ZINC000248936522 287103780 /nfs/dbraw/zinc/10/37/80/287103780.db2.gz NHODJEKHOUAQAT-MPZDIEGVSA-N 0 0 300.399 0.705 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000248983210 287104658 /nfs/dbraw/zinc/10/46/58/287104658.db2.gz VWBZYUFPMROLND-YNEHKIRRSA-N 0 0 318.439 0.874 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248690605 287100280 /nfs/dbraw/zinc/10/02/80/287100280.db2.gz JCXGRGQTIDEMEH-UTUOFQBUSA-N 0 0 323.397 0.467 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248741952 287100823 /nfs/dbraw/zinc/10/08/23/287100823.db2.gz YOKWKPZAIMGRLO-MISXGVKJSA-N 0 0 324.425 0.759 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1F ZINC000249547263 287113361 /nfs/dbraw/zinc/11/33/61/287113361.db2.gz GOVVDYJBDSACAH-AWEZNQCLSA-N 0 0 323.412 0.749 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751112 287117726 /nfs/dbraw/zinc/11/77/26/287117726.db2.gz CXNPFLKAAMKQKH-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000249725182 287117731 /nfs/dbraw/zinc/11/77/31/287117731.db2.gz KJPSHCMUUBRMDE-XBFCOCLRSA-N 0 0 321.421 0.747 10 0 DCAERN COC[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000251980531 287120294 /nfs/dbraw/zinc/12/02/94/287120294.db2.gz VJOVPYGTVYOZSG-RDBSUJKOSA-N 0 0 320.455 0.394 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000249601051 287116112 /nfs/dbraw/zinc/11/61/12/287116112.db2.gz QMQHVSOTZPEPRG-FYBVGQRMSA-N 0 0 309.288 0.220 10 0 DCAERN COC(=O)[C@@H]1CN(c2c(C)c(C)nc3ncnn32)C[C@@H](C)O1 ZINC000301616382 287141671 /nfs/dbraw/zinc/14/16/71/287141671.db2.gz BXNSSRVDLMVQDW-KCJUWKMLSA-N 0 0 305.338 0.508 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000354189327 287167882 /nfs/dbraw/zinc/16/78/82/287167882.db2.gz LSQIIWQXGAALGF-UNIPXTFRSA-N 0 0 318.439 0.634 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CC[C@@H](C)O ZINC000355429155 287181892 /nfs/dbraw/zinc/18/18/92/287181892.db2.gz XYQIADLRNDHMKN-LLVKDONJSA-N 0 0 321.377 0.837 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC(CCO)CC1 ZINC000400956224 287231378 /nfs/dbraw/zinc/23/13/78/287231378.db2.gz HGONLYYYRQMEKN-UHFFFAOYSA-N 0 0 307.803 0.857 10 0 DCAERN Cc1cccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000134177429 196368244 /nfs/dbraw/zinc/36/82/44/196368244.db2.gz IQDJBTAYPUFDMA-CYBMUJFWSA-N 0 0 311.407 0.820 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2)cc1 ZINC000021517189 415155019 /nfs/dbraw/zinc/15/50/19/415155019.db2.gz KPCPPBSNGYEUQX-UHFFFAOYSA-N 0 0 306.343 0.970 10 0 DCAERN COC(=O)c1ccc(N2CCO[C@](C)(c3cnn(C)c3)C2)nn1 ZINC000268410495 415211015 /nfs/dbraw/zinc/21/10/15/415211015.db2.gz SUWWSGUDZCZKQX-HNNXBMFYSA-N 0 0 317.349 0.749 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1 ZINC000046165437 415253561 /nfs/dbraw/zinc/25/35/61/415253561.db2.gz XVWDZVLEQRDAHG-AAEUAGOBSA-N 0 0 313.361 0.923 10 0 DCAERN Cc1nn(C)c(=O)c(-c2nc([C@H]3CN4CCN3CC4)no2)c1C ZINC000274138357 415325599 /nfs/dbraw/zinc/32/55/99/415325599.db2.gz WNECXPJBWITVEE-LLVKDONJSA-N 0 0 316.365 0.119 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnn(C)c1Br ZINC000274254723 415343798 /nfs/dbraw/zinc/34/37/98/415343798.db2.gz UFIDMOZCNYVPMW-QMMMGPOBSA-N 0 0 315.171 0.533 10 0 DCAERN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNCc1csnn1 ZINC000275862066 415381159 /nfs/dbraw/zinc/38/11/59/415381159.db2.gz XNYPHYMNTIDIKW-JQWIXIFHSA-N 0 0 310.402 0.974 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000343181254 415489643 /nfs/dbraw/zinc/48/96/43/415489643.db2.gz OTLSCUPRAZDUFZ-RKDXNWHRSA-N 0 0 323.802 0.498 10 0 DCAERN CSC[C@](C)(O)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083750185 415491825 /nfs/dbraw/zinc/49/18/25/415491825.db2.gz FEODECBDHRNQQM-GXFFZTMASA-N 0 0 313.427 0.835 10 0 DCAERN Cc1nnc2ccc(N(CC3CC3)C[C@H]3CN(C)CCO3)nn12 ZINC000278857143 415500277 /nfs/dbraw/zinc/50/02/77/415500277.db2.gz XZDDBDNQIOFFCZ-CQSZACIVSA-N 0 0 316.409 0.980 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@](C)(O)CO ZINC000332675735 415435097 /nfs/dbraw/zinc/43/50/97/415435097.db2.gz KBYTVJFBPHGREX-WBVHZDCISA-N 0 0 320.389 0.382 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332755917 415465273 /nfs/dbraw/zinc/46/52/73/415465273.db2.gz KUIJYSCUTGIQNB-BZUAXINKSA-N 0 0 323.437 0.613 10 0 DCAERN COCCOCC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000079832596 415474056 /nfs/dbraw/zinc/47/40/56/415474056.db2.gz QAFCYUQMQMCRMN-UHFFFAOYSA-N 0 0 317.345 0.893 10 0 DCAERN CC(=O)N[C@@H](CC(=O)Nc1nccn(C)c1=O)c1ccccc1 ZINC000085733141 415506712 /nfs/dbraw/zinc/50/67/12/415506712.db2.gz PNIYHZCIYJQKCF-ZDUSSCGKSA-N 0 0 314.345 0.986 10 0 DCAERN CN(CC1CCC1)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086460253 415508906 /nfs/dbraw/zinc/50/89/06/415508906.db2.gz UJCVUHOVZSEETJ-UHFFFAOYSA-N 0 0 314.349 0.859 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)n(C)n1 ZINC000278928424 415511187 /nfs/dbraw/zinc/51/11/87/415511187.db2.gz SKCPTWLHSKHTGK-MLGOLLRUSA-N 0 0 317.393 0.046 10 0 DCAERN COC(=O)[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 ZINC000087233445 415515079 /nfs/dbraw/zinc/51/50/79/415515079.db2.gz OFTGXFPNZBPZHU-CYBMUJFWSA-N 0 0 315.329 0.768 10 0 DCAERN Nc1nccnc1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990427 415527889 /nfs/dbraw/zinc/52/78/89/415527889.db2.gz YHSVQEIZSSVXFS-UHFFFAOYSA-N 0 0 310.111 0.762 10 0 DCAERN Cn1ncc2c1nc(NC1CCN(C(=O)C3CC3)CC1)nc2N ZINC000333052005 415540825 /nfs/dbraw/zinc/54/08/25/415540825.db2.gz LKHCCGHUKRDMQH-UHFFFAOYSA-N 0 0 315.381 0.758 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)COC)s1 ZINC000103429312 415616934 /nfs/dbraw/zinc/61/69/34/415616934.db2.gz NPVUEGBPXLQSIH-MRVPVSSYSA-N 0 0 306.409 0.555 10 0 DCAERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@H]1CCNC1=O ZINC000333359976 415621250 /nfs/dbraw/zinc/62/12/50/415621250.db2.gz XFTCZAHZXBQHFP-MELADBBJSA-N 0 0 309.410 0.367 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000343548631 415633491 /nfs/dbraw/zinc/63/34/91/415633491.db2.gz ZKYLXRMAQNCWAL-GFCCVEGCSA-N 0 0 318.439 0.909 10 0 DCAERN CNC(=O)NCCC(=O)N(C)[C@H]1CCO[C@H]1c1cccnc1 ZINC000353725179 415638866 /nfs/dbraw/zinc/63/88/66/415638866.db2.gz WCSCEJMWAWFDFC-JSGCOSHPSA-N 0 0 306.366 0.689 10 0 DCAERN CN(CC1(O)CCOCC1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333181124 415579881 /nfs/dbraw/zinc/57/98/81/415579881.db2.gz PUBRDPVTCZWQSA-AGIUHOORSA-N 0 0 303.424 0.978 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000333439778 415650314 /nfs/dbraw/zinc/65/03/14/415650314.db2.gz VYKFMJXERSLXJU-UHFFFAOYSA-N 0 0 320.319 0.993 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000343430209 415597996 /nfs/dbraw/zinc/59/79/96/415597996.db2.gz ANUTTWFSKMDYFE-NSHDSACASA-N 0 0 316.361 0.380 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N[C@@H]2CN(c3ccccc3)C2=O)CCO1 ZINC000333276918 415598943 /nfs/dbraw/zinc/59/89/43/415598943.db2.gz DMFCRKFBNFSMNL-KWCYVHTRSA-N 0 0 324.402 0.889 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@H]21 ZINC000333470238 415659401 /nfs/dbraw/zinc/65/94/01/415659401.db2.gz NLAPPWYTPITIOQ-KGLIPLIRSA-N 0 0 318.439 0.148 10 0 DCAERN Cc1ncc(CN2CCN(CCNS(C)(=O)=O)CC2)s1 ZINC000107303957 415664950 /nfs/dbraw/zinc/66/49/50/415664950.db2.gz QTFHWIJNFKRQTO-UHFFFAOYSA-N 0 0 318.468 0.118 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000333559838 415684144 /nfs/dbraw/zinc/68/41/44/415684144.db2.gz KSVYXCFEVGQMAN-VXGBXAGGSA-N 0 0 323.422 0.753 10 0 DCAERN COC1(CCNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CCC1 ZINC000333565648 415686404 /nfs/dbraw/zinc/68/64/04/415686404.db2.gz XEVUMUHYKHOHBI-LLVKDONJSA-N 0 0 304.412 0.774 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@H](CO)c1ccccc1)CCCC2 ZINC000333575760 415688624 /nfs/dbraw/zinc/68/86/24/415688624.db2.gz QLINTYNLUPHPDY-CYBMUJFWSA-N 0 0 315.373 0.987 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCCNC1=O ZINC000333767858 415734370 /nfs/dbraw/zinc/73/43/70/415734370.db2.gz XDMVZQDVYNNLCY-GHMZBOCLSA-N 0 0 320.397 0.814 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1c1nc(C)c(S(N)(=O)=O)s1 ZINC000343727047 415699623 /nfs/dbraw/zinc/69/96/23/415699623.db2.gz XHGISYLVZHOAOC-IUCAKERBSA-N 0 0 321.424 0.339 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCc3ncnn3C1)CS2 ZINC000112662787 415715110 /nfs/dbraw/zinc/71/51/10/415715110.db2.gz ZTUYELCFWGQMCM-RULNRJAQSA-N 0 0 321.406 0.163 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOCC(F)(F)F ZINC000119239043 415740409 /nfs/dbraw/zinc/74/04/09/415740409.db2.gz HCYMBCPHXXEUOO-UHFFFAOYSA-N 0 0 307.272 0.823 10 0 DCAERN CCCOC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000119130298 415742772 /nfs/dbraw/zinc/74/27/72/415742772.db2.gz JPQYBABTRADJDV-GFCCVEGCSA-N 0 0 318.381 0.588 10 0 DCAERN Cn1c(=O)c2cc(NC(=O)N3CC4(CC4)C3)cnc2n(C)c1=O ZINC000333801040 415743034 /nfs/dbraw/zinc/74/30/34/415743034.db2.gz GCJMQEDAVFJFCW-UHFFFAOYSA-N 0 0 315.333 0.260 10 0 DCAERN CCC(CC)(NC(=O)c1cc(S(C)(=O)=O)cs1)C(N)=O ZINC000120434651 415766078 /nfs/dbraw/zinc/76/60/78/415766078.db2.gz FHNITKAKOHZMDY-UHFFFAOYSA-N 0 0 318.420 0.926 10 0 DCAERN Cc1nccn1CC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333959614 415770906 /nfs/dbraw/zinc/77/09/06/415770906.db2.gz KFRKKIUKQRDGFM-OAHLLOKOSA-N 0 0 306.410 0.761 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120472633 415771337 /nfs/dbraw/zinc/77/13/37/415771337.db2.gz QHGRTWHIMVQUSR-LBPRGKRZSA-N 0 0 303.362 0.979 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000120601434 415773760 /nfs/dbraw/zinc/77/37/60/415773760.db2.gz FILZPAYVIJAKPA-QWHCGFSZSA-N 0 0 320.393 0.242 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2CC(N)=O)C1 ZINC000119855476 415750586 /nfs/dbraw/zinc/75/05/86/415750586.db2.gz ZWRSZYRMZUGFPI-OLZOCXBDSA-N 0 0 309.410 0.892 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000119904820 415752974 /nfs/dbraw/zinc/75/29/74/415752974.db2.gz OLAUFPCQWSDGHL-AWEZNQCLSA-N 0 0 323.441 0.944 10 0 DCAERN NC(=O)c1csc(CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000122312537 415830264 /nfs/dbraw/zinc/83/02/64/415830264.db2.gz XAZUMPDHUBUZDV-LBPRGKRZSA-N 0 0 306.391 0.945 10 0 DCAERN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC(CO)C1 ZINC000122324700 415832744 /nfs/dbraw/zinc/83/27/44/415832744.db2.gz ITEAQFXACHJJQR-SNVBAGLBSA-N 0 0 315.366 0.686 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CCN1C[C@@H](C)O ZINC000122673230 415834845 /nfs/dbraw/zinc/83/48/45/415834845.db2.gz DLFDCVSQBPUMRC-ZIAGYGMSSA-N 0 0 319.471 0.494 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C[C@H](C(N)=O)O1 ZINC000122951870 415837011 /nfs/dbraw/zinc/83/70/11/415837011.db2.gz NMLDNOZIRSHLRX-REWJHTLYSA-N 0 0 311.426 0.598 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000121621124 415814004 /nfs/dbraw/zinc/81/40/04/415814004.db2.gz KRLKNQPVCIYWPZ-GFCCVEGCSA-N 0 0 317.389 0.790 10 0 DCAERN CCNC(=O)CN(CC)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000121592560 415814119 /nfs/dbraw/zinc/81/41/19/415814119.db2.gz NCOIQWMLQBDLHT-UHFFFAOYSA-N 0 0 319.365 0.826 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cn1 ZINC000121982380 415824484 /nfs/dbraw/zinc/82/44/84/415824484.db2.gz KCCUIZVIQQGPNE-JHJVBQTASA-N 0 0 321.381 0.708 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)NC3(CO)CC3)ccc21 ZINC000354877785 415829236 /nfs/dbraw/zinc/82/92/36/415829236.db2.gz OOZJNAVGMZJXBS-UHFFFAOYSA-N 0 0 317.345 0.175 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000127343552 415885225 /nfs/dbraw/zinc/88/52/25/415885225.db2.gz XXDIYWOKVOYTDX-FRRDWIJNSA-N 0 0 315.439 0.852 10 0 DCAERN COc1cccc(CNC(=O)NCCNC(=O)c2ccco2)n1 ZINC000129256200 415907620 /nfs/dbraw/zinc/90/76/20/415907620.db2.gz NCAAWHPVGXHKCV-UHFFFAOYSA-N 0 0 318.333 0.912 10 0 DCAERN CCc1ncsc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000133336676 415944552 /nfs/dbraw/zinc/94/45/52/415944552.db2.gz FFLWGADWKDZHDX-MRVPVSSYSA-N 0 0 303.409 0.469 10 0 DCAERN Cc1nc(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000133722064 415948852 /nfs/dbraw/zinc/94/88/52/415948852.db2.gz MGULPCYVWBXMMY-AWEZNQCLSA-N 0 0 316.361 0.895 10 0 DCAERN COC(=O)CCNC(=O)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158608787 416001240 /nfs/dbraw/zinc/00/12/40/416001240.db2.gz INOWJALESZUNOT-ZDUSSCGKSA-N 0 0 310.350 0.641 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COCc2ccco2)CCS1(=O)=O ZINC000151055388 415964833 /nfs/dbraw/zinc/96/48/33/415964833.db2.gz STCDXIAYFIVGEQ-NEPJUHHUSA-N 0 0 303.380 0.276 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCNC(=O)CC1 ZINC000153192714 415976371 /nfs/dbraw/zinc/97/63/71/415976371.db2.gz NJWIUWNRDAMUKC-GFCCVEGCSA-N 0 0 303.366 0.192 10 0 DCAERN O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCC(=O)NC1=O ZINC000153270024 415979713 /nfs/dbraw/zinc/97/97/13/415979713.db2.gz VFOVZBOBWJGXAT-JTQLQIEISA-N 0 0 300.236 0.568 10 0 DCAERN COc1ccc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cc1OC ZINC000153923361 415989899 /nfs/dbraw/zinc/98/98/99/415989899.db2.gz IXXVMUVHMXBNHF-JTQLQIEISA-N 0 0 320.349 0.476 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(C(F)(F)F)n1 ZINC000153998331 415990339 /nfs/dbraw/zinc/99/03/39/415990339.db2.gz IGZNPCXITAJIBV-SSDOTTSWSA-N 0 0 304.272 0.533 10 0 DCAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H]1CNC(=O)C1 ZINC000171815572 416041502 /nfs/dbraw/zinc/04/15/02/416041502.db2.gz HMSAHANBDLHWHO-KGLIPLIRSA-N 0 0 318.373 0.755 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC000172435324 416044910 /nfs/dbraw/zinc/04/49/10/416044910.db2.gz QSWFHVOOQOKABY-QWHCGFSZSA-N 0 0 303.362 0.577 10 0 DCAERN C[C@@H](CO)CS(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000172876961 416050095 /nfs/dbraw/zinc/05/00/95/416050095.db2.gz ONTICQBTHSVDTK-QMMMGPOBSA-N 0 0 307.318 0.947 10 0 DCAERN Cn1cc(NC(=O)c2ccnc3ccccc32)c(=O)n(C)c1=O ZINC000173088206 416053122 /nfs/dbraw/zinc/05/31/22/416053122.db2.gz KRORLRTWFPFZND-UHFFFAOYSA-N 0 0 310.313 0.885 10 0 DCAERN NC(=O)Cn1cc(C(=O)NCCCc2cccc(F)c2)nn1 ZINC000173284136 416056132 /nfs/dbraw/zinc/05/61/32/416056132.db2.gz BCFIANRWZLEQFF-UHFFFAOYSA-N 0 0 305.313 0.265 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173625320 416061972 /nfs/dbraw/zinc/06/19/72/416061972.db2.gz GZQLLXAWINXNMK-QWRGUYRKSA-N 0 0 322.413 0.888 10 0 DCAERN COCCCNC(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173626813 416062405 /nfs/dbraw/zinc/06/24/05/416062405.db2.gz VXVIOLQZFXRRNB-NEPJUHHUSA-N 0 0 309.414 0.806 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173908743 416068567 /nfs/dbraw/zinc/06/85/67/416068567.db2.gz QCABSCDJLRBHRZ-MRXNPFEDSA-N 0 0 319.405 0.795 10 0 DCAERN CCOCCOCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173877892 416068830 /nfs/dbraw/zinc/06/88/30/416068830.db2.gz HKSVSBAAFXOQNP-ZIAGYGMSSA-N 0 0 300.399 0.219 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976200 416069814 /nfs/dbraw/zinc/06/98/14/416069814.db2.gz BKCPCIDCJQXUJY-NWDGAFQWSA-N 0 0 312.414 0.506 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC000174006214 416071698 /nfs/dbraw/zinc/07/16/98/416071698.db2.gz LNVIXWSDSKTXNT-VIFPVBQESA-N 0 0 315.377 0.892 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174305775 416075248 /nfs/dbraw/zinc/07/52/48/416075248.db2.gz SNTCDRZBDXZDKO-UPJWGTAASA-N 0 0 314.430 0.127 10 0 DCAERN COc1ccccc1N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174348242 416077445 /nfs/dbraw/zinc/07/74/45/416077445.db2.gz ZPHRWMVLNQBYOT-UHFFFAOYSA-N 0 0 305.378 0.822 10 0 DCAERN COCCCCCNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000356998214 416017853 /nfs/dbraw/zinc/01/78/53/416017853.db2.gz ALIKDXNCNLXWAC-LBPRGKRZSA-N 0 0 318.439 0.246 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000166767371 416022736 /nfs/dbraw/zinc/02/27/36/416022736.db2.gz RUJOYTWKYCDXSE-SNVBAGLBSA-N 0 0 324.768 0.719 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000166767472 416023185 /nfs/dbraw/zinc/02/31/85/416023185.db2.gz RUJOYTWKYCDXSE-JTQLQIEISA-N 0 0 324.768 0.719 10 0 DCAERN Cc1ccc(N2CCC[N@H+](CCCC(=O)NC(N)=O)CC2)nn1 ZINC000171550532 416041153 /nfs/dbraw/zinc/04/11/53/416041153.db2.gz UPGBEYBZNYXIES-UHFFFAOYSA-N 0 0 320.397 0.272 10 0 DCAERN COc1ccc([C@@H](CC(=O)N2CC[C@@H](O)C2)NC(C)=O)cc1 ZINC000174586454 416081834 /nfs/dbraw/zinc/08/18/34/416081834.db2.gz HGNJLIQYAUTACH-UKRRQHHQSA-N 0 0 306.362 0.856 10 0 DCAERN CCCCN(C(=O)CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000174735598 416085464 /nfs/dbraw/zinc/08/54/64/416085464.db2.gz PTDZSIONKZZMTJ-LLVKDONJSA-N 0 0 304.412 0.281 10 0 DCAERN CCc1cc(N2CCC[C@@H](NC(=O)CC(=O)N(C)C)C2)ncn1 ZINC000174814463 416087643 /nfs/dbraw/zinc/08/76/43/416087643.db2.gz OARGCYXRVRHGLM-CYBMUJFWSA-N 0 0 319.409 0.602 10 0 DCAERN O=C(NCC1(O)CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000174815732 416088064 /nfs/dbraw/zinc/08/80/64/416088064.db2.gz XVRMMZURMRFMNL-NSHDSACASA-N 0 0 311.407 0.770 10 0 DCAERN Cc1noc(CCNS(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000174992733 416091937 /nfs/dbraw/zinc/09/19/37/416091937.db2.gz PPTNAEUKWDGHDC-UHFFFAOYSA-N 0 0 313.383 0.752 10 0 DCAERN CNC(=O)[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)ncn1)C(C)C ZINC000301784087 416092633 /nfs/dbraw/zinc/09/26/33/416092633.db2.gz OGMPDHKWWNLRHA-DOMZBBRYSA-N 0 0 321.425 0.868 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)Cn3cccn3)C2=O)n(C)n1 ZINC000175014628 416093661 /nfs/dbraw/zinc/09/36/61/416093661.db2.gz AIPTVJDFBBBSQE-GFCCVEGCSA-N 0 0 316.365 0.237 10 0 DCAERN Cn1c(=O)c2ccc(C(=O)NCC3(C)CCC3)nc2n(C)c1=O ZINC000175103724 416095558 /nfs/dbraw/zinc/09/55/58/416095558.db2.gz LAIMTWKKBPFPDH-UHFFFAOYSA-N 0 0 316.361 0.552 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000357933085 416155739 /nfs/dbraw/zinc/15/57/39/416155739.db2.gz YLYZRHYRAQBTPG-NSHDSACASA-N 0 0 320.393 0.900 10 0 DCAERN Cc1ccc([C@@H](CNS(C)(=O)=O)N2CCOCC2)s1 ZINC000175216708 416098612 /nfs/dbraw/zinc/09/86/12/416098612.db2.gz GJVNNHAEZRFZQE-LLVKDONJSA-N 0 0 304.437 0.979 10 0 DCAERN CS(=O)(=O)c1cccnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000302732583 416099576 /nfs/dbraw/zinc/09/95/76/416099576.db2.gz NEKQRDKLNOORRE-GFCCVEGCSA-N 0 0 311.407 0.396 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000302885592 416101388 /nfs/dbraw/zinc/10/13/88/416101388.db2.gz MMSBVGSLDASJJH-SNVBAGLBSA-N 0 0 317.397 0.687 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2ccc3nncn3n2)CC1)C1CC1 ZINC000175346266 416104060 /nfs/dbraw/zinc/10/40/60/416104060.db2.gz CUKVJESKKFJWRD-LLVKDONJSA-N 0 0 300.366 0.819 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)[C@@H](C)C1 ZINC000357621207 416107230 /nfs/dbraw/zinc/10/72/30/416107230.db2.gz NHXADJOQBYNYMI-NSHDSACASA-N 0 0 323.418 0.600 10 0 DCAERN C[C@H]1CN(C(=O)c2ncccc2Cl)CCN1S(C)(=O)=O ZINC000345518845 416107398 /nfs/dbraw/zinc/10/73/98/416107398.db2.gz CGJSQONKXOXGKM-VIFPVBQESA-N 0 0 317.798 0.841 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178085093 416156143 /nfs/dbraw/zinc/15/61/43/416156143.db2.gz FCHGCHWTLJPAGJ-JTQLQIEISA-N 0 0 321.381 0.136 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3CO)C2)cn1 ZINC000175716140 416112511 /nfs/dbraw/zinc/11/25/11/416112511.db2.gz XVAUSIXCUUXBGO-OLZOCXBDSA-N 0 0 307.398 0.555 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000357678305 416114221 /nfs/dbraw/zinc/11/42/21/416114221.db2.gz YPALJHRTZYWJJI-ZJUUUORDSA-N 0 0 307.416 0.133 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000357678303 416114454 /nfs/dbraw/zinc/11/44/54/416114454.db2.gz YPALJHRTZYWJJI-UWVGGRQHSA-N 0 0 307.416 0.133 10 0 DCAERN CCc1nc(C2(NC(=O)CSCC(N)=O)CCCC2)no1 ZINC000175796094 416114496 /nfs/dbraw/zinc/11/44/96/416114496.db2.gz VHZWLVOUCMBYKA-UHFFFAOYSA-N 0 0 312.395 0.736 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)N[C@@H]1CCCn2ncnc21 ZINC000175821307 416115315 /nfs/dbraw/zinc/11/53/15/416115315.db2.gz VAECELGFGPHHQP-CYBMUJFWSA-N 0 0 313.361 0.588 10 0 DCAERN COC(=O)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000176074585 416118762 /nfs/dbraw/zinc/11/87/62/416118762.db2.gz WGBMUHYNUXZNKP-UHFFFAOYSA-N 0 0 315.329 0.841 10 0 DCAERN CSCCCCCNC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000357728482 416122822 /nfs/dbraw/zinc/12/28/22/416122822.db2.gz LAPIYJCFBZRLQS-NEPJUHHUSA-N 0 0 302.440 0.865 10 0 DCAERN O=S1(=O)CC[C@H](Nc2nccc(N[C@@H]3CCCOC3)n2)C1 ZINC000328627066 416122982 /nfs/dbraw/zinc/12/29/82/416122982.db2.gz FTVDMRVTZIQTEH-MNOVXSKESA-N 0 0 312.395 0.667 10 0 DCAERN COC[C@@H]1CN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CCO1 ZINC000176636406 416131893 /nfs/dbraw/zinc/13/18/93/416131893.db2.gz IRTITEHUQARIBY-HNNXBMFYSA-N 0 0 320.389 0.907 10 0 DCAERN C[C@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1N1CCOCC1 ZINC000176705126 416133524 /nfs/dbraw/zinc/13/35/24/416133524.db2.gz RCKZZFAFWANNBL-AAEUAGOBSA-N 0 0 302.382 0.520 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC000176715664 416133639 /nfs/dbraw/zinc/13/36/39/416133639.db2.gz JUNDISHDYQZAOS-RYUDHWBXSA-N 0 0 318.439 0.574 10 0 DCAERN COCCCOC1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C1 ZINC000176908792 416135996 /nfs/dbraw/zinc/13/59/96/416135996.db2.gz CEFXVKIRLVDTBC-LLVKDONJSA-N 0 0 310.350 0.662 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000176852291 416136925 /nfs/dbraw/zinc/13/69/25/416136925.db2.gz OAPPONJNJMSZIZ-LOWVWBTDSA-N 0 0 306.366 0.430 10 0 DCAERN Cc1cc(NC(=O)CN(C)C[C@H](C)CS(C)(=O)=O)no1 ZINC000176955973 416137564 /nfs/dbraw/zinc/13/75/64/416137564.db2.gz SLTZDTBVQDTNOT-VIFPVBQESA-N 0 0 303.384 0.534 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000357829207 416137755 /nfs/dbraw/zinc/13/77/55/416137755.db2.gz MPNIKZOXHDZXLW-UHFFFAOYSA-N 0 0 322.413 0.323 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@]1(O)CCSC1 ZINC000176926431 416137935 /nfs/dbraw/zinc/13/79/35/416137935.db2.gz JWCRKCYXXBAGQU-OAHLLOKOSA-N 0 0 308.403 0.709 10 0 DCAERN COC(=O)C[C@@H](C)N1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000177031326 416140980 /nfs/dbraw/zinc/14/09/80/416140980.db2.gz HHHVWJRILNAZET-GFCCVEGCSA-N 0 0 321.377 0.393 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)O1 ZINC000357852564 416141967 /nfs/dbraw/zinc/14/19/67/416141967.db2.gz XBCFIKCAIZYSDY-NWDGAFQWSA-N 0 0 317.349 0.395 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@](C)(C(=O)OC)C2)cs1 ZINC000177443691 416146941 /nfs/dbraw/zinc/14/69/41/416146941.db2.gz MIZPAOPACFGMLX-AWEZNQCLSA-N 0 0 311.407 0.817 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCN1C(=O)CCC1=O ZINC000177492344 416147226 /nfs/dbraw/zinc/14/72/26/416147226.db2.gz MTNFYEFTEPACSL-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN CN1CCC[C@@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1=O ZINC000357882709 416147636 /nfs/dbraw/zinc/14/76/36/416147636.db2.gz FCBAISAIQUVCQW-GFCCVEGCSA-N 0 0 301.350 0.983 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CCO1 ZINC000357891483 416148632 /nfs/dbraw/zinc/14/86/32/416148632.db2.gz JIOAWZBXKDDLHV-WQVCFCJDSA-N 0 0 318.373 0.832 10 0 DCAERN CCC[C@H](NC(=O)CNC(=O)c1ccccc1C)c1nnn[n-]1 ZINC000177652807 416149344 /nfs/dbraw/zinc/14/93/44/416149344.db2.gz MFDGHLBOLWZVTD-LBPRGKRZSA-N 0 0 316.365 0.896 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000177629262 416149741 /nfs/dbraw/zinc/14/97/41/416149741.db2.gz XAOVHUIMTPMZLN-SRVKXCTJSA-N 0 0 310.398 0.341 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC1(CO)CCCC1 ZINC000177688654 416149796 /nfs/dbraw/zinc/14/97/96/416149796.db2.gz CJDZQDXRLRHKQG-LLVKDONJSA-N 0 0 323.397 0.864 10 0 DCAERN CC(=O)N1CCN(C(=O)CSc2nnnn2C2CC2)[C@H](C)C1 ZINC000357905052 416150837 /nfs/dbraw/zinc/15/08/37/416150837.db2.gz CCCGEFTWJZCGIU-SECBINFHSA-N 0 0 324.410 0.179 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC(=O)NC(C)(C)C ZINC000177749411 416151518 /nfs/dbraw/zinc/15/15/18/416151518.db2.gz HINGUDHAJHGTFK-NSHDSACASA-N 0 0 312.414 0.600 10 0 DCAERN CCC[C@@H](O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000177859859 416152399 /nfs/dbraw/zinc/15/23/99/416152399.db2.gz SVFFRQCIFPIWRP-CQSZACIVSA-N 0 0 308.426 0.909 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000357919050 416152918 /nfs/dbraw/zinc/15/29/18/416152918.db2.gz CBJVERFMAUAYFJ-LBPRGKRZSA-N 0 0 324.425 0.698 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(CC(=O)NC2CCOCC2)C1 ZINC000178530496 416166658 /nfs/dbraw/zinc/16/66/58/416166658.db2.gz SERFDIFUUZUIEW-LBPRGKRZSA-N 0 0 312.410 0.945 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178616794 416166729 /nfs/dbraw/zinc/16/67/29/416166729.db2.gz LOUSCTJATXUTTA-PVAVHDDUSA-N 0 0 315.417 0.915 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1cccc(CO)c1 ZINC000178691722 416168709 /nfs/dbraw/zinc/16/87/09/416168709.db2.gz CADFJSWFOCUHGH-NEPJUHHUSA-N 0 0 314.407 0.623 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178702889 416169090 /nfs/dbraw/zinc/16/90/90/416169090.db2.gz DPEXDLHBWJPDSY-RYUDHWBXSA-N 0 0 312.391 0.089 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCN1C(=O)CCC1=O ZINC000178713818 416170367 /nfs/dbraw/zinc/17/03/67/416170367.db2.gz JIGYNIBJZNWKDE-AVGNSLFASA-N 0 0 308.378 0.942 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000178809548 416174052 /nfs/dbraw/zinc/17/40/52/416174052.db2.gz XQCUPLGJOIFEHQ-JTQLQIEISA-N 0 0 307.354 0.017 10 0 DCAERN CN(C)c1ncc(NC(=O)NCCNC(=O)c2ccco2)cn1 ZINC000178899297 416175528 /nfs/dbraw/zinc/17/55/28/416175528.db2.gz RXCDCUBPNKUWTC-UHFFFAOYSA-N 0 0 318.337 0.687 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NC)C(C)C)cc1 ZINC000178907295 416175811 /nfs/dbraw/zinc/17/58/11/416175811.db2.gz UANAIAUVHPUCER-LBPRGKRZSA-N 0 0 306.366 0.938 10 0 DCAERN O=C(N[C@@H]1CCOC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178939055 416177419 /nfs/dbraw/zinc/17/74/19/416177419.db2.gz FJYYYYWVYXXELS-PWSUYJOCSA-N 0 0 310.375 0.993 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1c(F)cccc1F ZINC000178965861 416178810 /nfs/dbraw/zinc/17/88/10/416178810.db2.gz OLCBPIXCAUXXOG-JTQLQIEISA-N 0 0 324.331 0.019 10 0 DCAERN CCc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178963342 416179317 /nfs/dbraw/zinc/17/93/17/416179317.db2.gz VBPWYDXUYQNZHQ-OAHLLOKOSA-N 0 0 316.405 0.304 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1 ZINC000178960207 416179505 /nfs/dbraw/zinc/17/95/05/416179505.db2.gz HNWYMCNHGJQLHS-OAHLLOKOSA-N 0 0 316.405 0.304 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178960274 416179610 /nfs/dbraw/zinc/17/96/10/416179610.db2.gz FLNFLPBYGBJUED-LBPRGKRZSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178958599 416179943 /nfs/dbraw/zinc/17/99/43/416179943.db2.gz IOGUPVROVNYFOW-CYBMUJFWSA-N 0 0 320.368 0.189 10 0 DCAERN O[C@H](COc1ccccc1)CN1CCN(Cc2c[nH]cn2)CC1 ZINC000179539638 416189355 /nfs/dbraw/zinc/18/93/55/416189355.db2.gz OQGPUGZXFBPWAU-INIZCTEOSA-N 0 0 316.405 0.967 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCSC(C)(C)C2)cn1 ZINC000179462941 416189749 /nfs/dbraw/zinc/18/97/49/416189749.db2.gz BAXWENKQHPAHCY-UHFFFAOYSA-N 0 0 311.411 0.988 10 0 DCAERN CC[C@H](C)NC(=O)C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180262490 416195691 /nfs/dbraw/zinc/19/56/91/416195691.db2.gz FWGSQWFGNMLKLJ-WPCRTTGESA-N 0 0 304.441 0.768 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000180433556 416195739 /nfs/dbraw/zinc/19/57/39/416195739.db2.gz SVJMTVOKXWIGIR-GFCCVEGCSA-N 0 0 316.361 0.503 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000330291166 416200236 /nfs/dbraw/zinc/20/02/36/416200236.db2.gz CRGQEWPIEFBODR-JTQLQIEISA-N 0 0 310.423 0.992 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358140442 416201499 /nfs/dbraw/zinc/20/14/99/416201499.db2.gz LGZJDGYDGFKXKA-SKDRFNHKSA-N 0 0 301.350 0.887 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180978661 416202523 /nfs/dbraw/zinc/20/25/23/416202523.db2.gz PLAYPVSHQORTNP-CYBMUJFWSA-N 0 0 315.443 0.967 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180932339 416202823 /nfs/dbraw/zinc/20/28/23/416202823.db2.gz NJNCQNCVUBSIMB-IINYFYTJSA-N 0 0 314.345 0.820 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ncnn1C)CC2 ZINC000181262993 416203992 /nfs/dbraw/zinc/20/39/92/416203992.db2.gz RXWYMZOGPYWSSV-VIFPVBQESA-N 0 0 304.358 0.667 10 0 DCAERN CCc1nc(CNC(=O)NCCNC(=O)c2ccn[nH]2)cs1 ZINC000181250733 416204798 /nfs/dbraw/zinc/20/47/98/416204798.db2.gz XITNVAWKYZOKGO-UHFFFAOYSA-N 0 0 322.394 0.658 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181370177 416206375 /nfs/dbraw/zinc/20/63/75/416206375.db2.gz TZQGLWLANHGOJC-SNVBAGLBSA-N 0 0 312.337 0.539 10 0 DCAERN COC(=O)NCCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181384484 416206676 /nfs/dbraw/zinc/20/66/76/416206676.db2.gz LSRWRKUZGKWQOY-GFCCVEGCSA-N 0 0 309.370 0.029 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cn[nH]c1 ZINC000358182005 416207370 /nfs/dbraw/zinc/20/73/70/416207370.db2.gz DMHOKOOZLLYEHL-UWVGGRQHSA-N 0 0 302.400 0.415 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181699004 416211309 /nfs/dbraw/zinc/21/13/09/416211309.db2.gz ATYMZJXUKZCKJP-ZDUSSCGKSA-N 0 0 300.428 0.742 10 0 DCAERN COC1(CNC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CCC1 ZINC000181817595 416212353 /nfs/dbraw/zinc/21/23/53/416212353.db2.gz SAPYGCFHYKVYKB-NSHDSACASA-N 0 0 309.370 0.765 10 0 DCAERN CC(=O)N1CCCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000181967204 416214729 /nfs/dbraw/zinc/21/47/29/416214729.db2.gz YFIHLELKCPQFCX-UHFFFAOYSA-N 0 0 315.373 0.805 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000182236694 416215531 /nfs/dbraw/zinc/21/55/31/416215531.db2.gz GFEQBNPAEXNOCT-CYBMUJFWSA-N 0 0 306.410 0.954 10 0 DCAERN O=C(N[C@@H]1CCOC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183049156 416234607 /nfs/dbraw/zinc/23/46/07/416234607.db2.gz JBJXXZOGIOXYJT-DGCLKSJQSA-N 0 0 304.350 0.665 10 0 DCAERN Cc1nc(CN(C)C(=O)Nc2nc3nc(C)cc(C)n3n2)no1 ZINC000358347721 416225858 /nfs/dbraw/zinc/22/58/58/416225858.db2.gz KYPLIOVEGYMVOP-UHFFFAOYSA-N 0 0 316.325 1.096 10 0 DCAERN Cn1ccc(CC(=O)NCCc2nnc3n2CCCCC3)n1 ZINC000183015304 416234974 /nfs/dbraw/zinc/23/49/74/416234974.db2.gz QTZGGCXIGGAUDN-UHFFFAOYSA-N 0 0 302.382 0.639 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@]1(CO)CCOC1 ZINC000182889916 416232810 /nfs/dbraw/zinc/23/28/10/416232810.db2.gz FLFFAKBELQFTKX-MRXNPFEDSA-N 0 0 309.410 0.966 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000178188270 416159457 /nfs/dbraw/zinc/15/94/57/416159457.db2.gz QNHOMPQNNKOFGP-TZMCWYRMSA-N 0 0 303.362 0.839 10 0 DCAERN CCC[C@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178524116 416164096 /nfs/dbraw/zinc/16/40/96/416164096.db2.gz LDKCTEAUNKJCDF-WBMJQRKESA-N 0 0 322.409 0.891 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1Cl ZINC000183365245 416240564 /nfs/dbraw/zinc/24/05/64/416240564.db2.gz WDDUILCPOBJGRM-VIFPVBQESA-N 0 0 318.782 0.523 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000183720803 416249144 /nfs/dbraw/zinc/24/91/44/416249144.db2.gz RPCYYNSNJLOYBD-ZDUSSCGKSA-N 0 0 309.341 0.853 10 0 DCAERN O=C(NC1CN(C(=O)NCc2ccc(O)c(F)c2)C1)C1CC1 ZINC000187212314 416259961 /nfs/dbraw/zinc/25/99/61/416259961.db2.gz DDIHZGNQBGGNDC-UHFFFAOYSA-N 0 0 307.325 0.951 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCC1=O ZINC000190035088 416273416 /nfs/dbraw/zinc/27/34/16/416273416.db2.gz GLOZSIDIIDGOHF-KOLCDFICSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000190149821 416276621 /nfs/dbraw/zinc/27/66/21/416276621.db2.gz JUAIYXXSDPTUPU-MNOVXSKESA-N 0 0 310.398 0.306 10 0 DCAERN O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[C@H]1CCO ZINC000190238255 416276768 /nfs/dbraw/zinc/27/67/68/416276768.db2.gz MGQKSZAGFKANQZ-LSDHHAIUSA-N 0 0 313.442 0.949 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)o1 ZINC000183244000 416238901 /nfs/dbraw/zinc/23/89/01/416238901.db2.gz DTHUEXFEQIRSRH-GHMZBOCLSA-N 0 0 316.423 0.972 10 0 DCAERN CC[C@H](O)CCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000359064985 416304267 /nfs/dbraw/zinc/30/42/67/416304267.db2.gz GQPNEDRBYHKOTF-STQMWFEESA-N 0 0 313.398 0.227 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192653556 416310274 /nfs/dbraw/zinc/31/02/74/416310274.db2.gz BDLXIPXZWGNYEI-TVYUQYBPSA-N 0 0 312.391 0.936 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)[C@H]1CO ZINC000190598679 416282022 /nfs/dbraw/zinc/28/20/22/416282022.db2.gz LWTOAWWLIVCJAM-XVSSEFHLSA-N 0 0 318.439 0.755 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000190790558 416283565 /nfs/dbraw/zinc/28/35/65/416283565.db2.gz MTTWPTOASVETSC-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](OC)C2)cn1 ZINC000191307189 416286347 /nfs/dbraw/zinc/28/63/47/416286347.db2.gz WTTHVXBSHAIOSW-PWSUYJOCSA-N 0 0 306.366 0.861 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC1 ZINC000191840370 416290655 /nfs/dbraw/zinc/29/06/55/416290655.db2.gz GRAMNSXDIZBTGJ-AWEZNQCLSA-N 0 0 317.389 0.328 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(OCCOC)cc1 ZINC000192008698 416294876 /nfs/dbraw/zinc/29/48/76/416294876.db2.gz MYDAHSGSHMWCAL-HNNXBMFYSA-N 0 0 320.389 0.991 10 0 DCAERN O=C(NCCCOC1CCOCC1)NC[C@@H](CO)C1CC1 ZINC000358952207 416297298 /nfs/dbraw/zinc/29/72/98/416297298.db2.gz XFNDNWHMWKTXID-ZDUSSCGKSA-N 0 0 300.399 0.890 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@H]2CCCCO2)C[C@@H](C)O1 ZINC000248519109 416333543 /nfs/dbraw/zinc/33/35/43/416333543.db2.gz AWIOVQPBJQLTEK-JHJVBQTASA-N 0 0 306.428 0.889 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000248657794 416333675 /nfs/dbraw/zinc/33/36/75/416333675.db2.gz FRGTZHVVGWQEEC-GRYCIOLGSA-N 0 0 304.412 0.436 10 0 DCAERN Cc1nnc(NCCN2CCN(C(=O)C3CCC3)CC2)nc1C ZINC000359617175 416351959 /nfs/dbraw/zinc/35/19/59/416351959.db2.gz HZJZRSSSVIWOKF-UHFFFAOYSA-N 0 0 318.425 0.845 10 0 DCAERN CCn1c(C)nnc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000195021456 416325241 /nfs/dbraw/zinc/32/52/41/416325241.db2.gz FMJZVIJAOGYBSE-ZDUSSCGKSA-N 0 0 307.398 0.430 10 0 DCAERN C[C@@H](CO)S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195051747 416325266 /nfs/dbraw/zinc/32/52/66/416325266.db2.gz YDXQCVKFRKFLSM-DTWKUNHWSA-N 0 0 317.329 0.583 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@@H]1COCCN1 ZINC000237678953 416328698 /nfs/dbraw/zinc/32/86/98/416328698.db2.gz PBBHAMRMJBRANN-JQWIXIFHSA-N 0 0 310.785 0.418 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360114619 416371130 /nfs/dbraw/zinc/37/11/30/416371130.db2.gz HWXKRRWVZPYMSQ-CYBMUJFWSA-N 0 0 300.380 0.621 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1ccc(N2CCNC2=O)cc1 ZINC000359814886 416359962 /nfs/dbraw/zinc/35/99/62/416359962.db2.gz AQOINYDGAYPIQV-ZDUSSCGKSA-N 0 0 303.362 0.965 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NC[C@@H](CO)C1CC1 ZINC000359821463 416360828 /nfs/dbraw/zinc/36/08/28/416360828.db2.gz LHEWGQJSNQEPKM-NSHDSACASA-N 0 0 312.316 0.829 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@@H]2C1 ZINC000359829144 416361192 /nfs/dbraw/zinc/36/11/92/416361192.db2.gz QFNWOBLNVLOJNW-XGUBFFRZSA-N 0 0 311.426 0.950 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000360752983 416408162 /nfs/dbraw/zinc/40/81/62/416408162.db2.gz DKFGDQYRGFIQGD-UHFFFAOYSA-N 0 0 310.398 0.437 10 0 DCAERN O=C(c1cc[nH]n1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360822668 416412299 /nfs/dbraw/zinc/41/22/99/416412299.db2.gz BXDAESXQTSGZGY-JTQLQIEISA-N 0 0 312.395 0.344 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)COC1CCOCC1 ZINC000533059158 416469851 /nfs/dbraw/zinc/46/98/51/416469851.db2.gz SYLLMXDPXFJJJZ-HIFRSBDPSA-N 0 0 315.410 0.959 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@]2(O)CCO[C@H]2C)n1 ZINC000434302169 416470035 /nfs/dbraw/zinc/47/00/35/416470035.db2.gz TYRRRQWFRZPEOO-NHYWBVRUSA-N 0 0 309.366 0.472 10 0 DCAERN CC(C)Cn1c(N)c(C(=O)CN2CCC23CCC3)c(=O)[nH]c1=O ZINC000533023185 416471323 /nfs/dbraw/zinc/47/13/23/416471323.db2.gz AHTIYQOHQUSBSS-UHFFFAOYSA-N 0 0 320.393 0.998 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@H]2CCOC[C@@H]2OC)n1 ZINC000458499937 416473907 /nfs/dbraw/zinc/47/39/07/416473907.db2.gz CEXCJEAOBCBKQQ-JSGCOSHPSA-N 0 0 323.393 0.983 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)c2cccc3ncnn32)C[C@H](C)O1 ZINC000583604532 416475621 /nfs/dbraw/zinc/47/56/21/416475621.db2.gz JVKNFBKZRSNKKI-BETUJISGSA-N 0 0 317.393 0.911 10 0 DCAERN O=C(CN1CC[C@@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618422 416479244 /nfs/dbraw/zinc/47/92/44/416479244.db2.gz VGYDSWPRFUYCEO-INIZCTEOSA-N 0 0 321.425 0.785 10 0 DCAERN Cn1ccnc(NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)c1=O ZINC000583617557 416479284 /nfs/dbraw/zinc/47/92/84/416479284.db2.gz ULMLFUYVNBTNFB-GJZGRUSLSA-N 0 0 314.389 1.264 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](SC)C2)C1 ZINC000458552222 416480240 /nfs/dbraw/zinc/48/02/40/416480240.db2.gz VGFFPCYWSTWZAQ-WDEREUQCSA-N 0 0 300.428 0.937 10 0 DCAERN CC[C@H](NC(=O)C(=O)N[C@H]1CC[C@@H](OC)C1)C1CCOCC1 ZINC000361105167 416421330 /nfs/dbraw/zinc/42/13/30/416421330.db2.gz VGBOMQWOXVQLJP-MJBXVCDLSA-N 0 0 312.410 0.992 10 0 DCAERN CC(C)(C)n1cc(CN2CCC[C@@H](CS(N)(=O)=O)C2)nn1 ZINC000361556575 416449220 /nfs/dbraw/zinc/44/92/20/416449220.db2.gz IPRLPWLNTKEOOW-LLVKDONJSA-N 0 0 315.443 0.534 10 0 DCAERN COCCN(C)c1ccc(CN(C)Cc2nnnn2C)cn1 ZINC000361556355 416449945 /nfs/dbraw/zinc/44/99/45/416449945.db2.gz GLLUJWRXTAMWID-UHFFFAOYSA-N 0 0 305.386 0.320 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@H](O)C(F)F)sc2n1 ZINC000435585462 416525576 /nfs/dbraw/zinc/52/55/76/416525576.db2.gz SBKMBUPVBQRFFZ-ZETCQYMHSA-N 0 0 304.322 1.141 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)c1cn(C)c2ccc(F)cc12 ZINC000435800528 416538175 /nfs/dbraw/zinc/53/81/75/416538175.db2.gz SNNDKTOVEBORQP-LBPRGKRZSA-N 0 0 308.309 0.971 10 0 DCAERN CNC(=O)CCCC(=O)NCCCc1nnc2ccccn21 ZINC000436286031 416553423 /nfs/dbraw/zinc/55/34/23/416553423.db2.gz QLPJOKRCGDXIML-UHFFFAOYSA-N 0 0 303.366 0.694 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744468 416493380 /nfs/dbraw/zinc/49/33/80/416493380.db2.gz HELGYRJRKPYLNM-OLZOCXBDSA-N 0 0 316.423 0.438 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000361788234 416495510 /nfs/dbraw/zinc/49/55/10/416495510.db2.gz QWBLEPAAMUSZPJ-JBLDHEPKSA-N 0 0 304.412 0.277 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000534291807 416497581 /nfs/dbraw/zinc/49/75/81/416497581.db2.gz LQKXSQVNRGUQMA-JQWIXIFHSA-N 0 0 314.411 0.575 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)C1 ZINC000535000700 416512136 /nfs/dbraw/zinc/51/21/36/416512136.db2.gz OEWNSOCPWNAXII-GFCCVEGCSA-N 0 0 323.324 0.504 10 0 DCAERN O=S1(=O)CC[C@H](N(Cc2ncccn2)C[C@@H]2CCCO2)C1 ZINC000361861068 416512457 /nfs/dbraw/zinc/51/24/57/416512457.db2.gz USHKBGKWNVTVGT-STQMWFEESA-N 0 0 311.407 0.645 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccn(C(C)C)n2)[nH]n1 ZINC000361867451 416513144 /nfs/dbraw/zinc/51/31/44/416513144.db2.gz GUTLPSHVVUTTJO-JTQLQIEISA-N 0 0 318.381 1.181 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000361872716 416514775 /nfs/dbraw/zinc/51/47/75/416514775.db2.gz INYBKXMRACVOPN-QWRGUYRKSA-N 0 0 324.381 0.090 10 0 DCAERN Cc1noc(CCNc2nccc(N[C@@H]3CCCOC3)n2)n1 ZINC000435334791 416518044 /nfs/dbraw/zinc/51/80/44/416518044.db2.gz CKARMUSJVCBURH-LLVKDONJSA-N 0 0 304.354 1.414 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)[nH]1 ZINC000439260022 416610125 /nfs/dbraw/zinc/61/01/25/416610125.db2.gz OIVZKCNJTBGBCI-OLZOCXBDSA-N 0 0 307.398 0.308 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000541755933 416612733 /nfs/dbraw/zinc/61/27/33/416612733.db2.gz ZLTKPYPODIUATE-CYBMUJFWSA-N 0 0 305.334 0.025 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)ccc1O ZINC000436713987 416566776 /nfs/dbraw/zinc/56/67/76/416566776.db2.gz GWROXMQUAUWKGA-WDEREUQCSA-N 0 0 322.361 0.887 10 0 DCAERN COCc1cncc(C(=O)N[C@]2(CC(=O)OC)CCOC2)c1 ZINC000613359707 416678257 /nfs/dbraw/zinc/67/82/57/416678257.db2.gz CTUWMSZCYMCOGN-HNNXBMFYSA-N 0 0 308.334 0.680 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)N(C)Cc2cnccn2)n1 ZINC000547689354 416681253 /nfs/dbraw/zinc/68/12/53/416681253.db2.gz ONCYOTACPCEWOU-LLVKDONJSA-N 0 0 304.354 1.544 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N(C)Cc1nc[nH]n1)c2=O ZINC000439511553 416616201 /nfs/dbraw/zinc/61/62/01/416616201.db2.gz JGUAKYAGPFEFCQ-UHFFFAOYSA-N 0 0 313.317 0.927 10 0 DCAERN C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439862934 416622472 /nfs/dbraw/zinc/62/24/72/416622472.db2.gz WITSVVMKSPIDHQ-QWRGUYRKSA-N 0 0 319.361 0.637 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)[C@@H]2CCCCS2(=O)=O)n1 ZINC000543430040 416640980 /nfs/dbraw/zinc/64/09/80/416640980.db2.gz YHPIIEUPVDQHAS-VIFPVBQESA-N 0 0 300.384 0.939 10 0 DCAERN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)Nc1cccnn1 ZINC000367232708 416643179 /nfs/dbraw/zinc/64/31/79/416643179.db2.gz UWNXHXNQRLXIRT-YPMHNXCESA-N 0 0 306.366 1.166 10 0 DCAERN CN(C)c1nccc(NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000607058367 416645867 /nfs/dbraw/zinc/64/58/67/416645867.db2.gz KCGYGUXHAZGXOY-UHFFFAOYSA-N 0 0 317.397 0.739 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000367675063 416650108 /nfs/dbraw/zinc/65/01/08/416650108.db2.gz OYLQDSCGLZMASL-JZRPKSSGSA-N 0 0 309.362 0.986 10 0 DCAERN CCOCC1(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)CC1 ZINC000440868688 416652773 /nfs/dbraw/zinc/65/27/73/416652773.db2.gz POOUECJGPBJHSY-MNOVXSKESA-N 0 0 314.382 0.376 10 0 DCAERN CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257100 416653655 /nfs/dbraw/zinc/65/36/55/416653655.db2.gz IUHPSLWGBRRJOK-STQMWFEESA-N 0 0 302.440 0.944 10 0 DCAERN CCCN(C(=O)[C@H](C)N(C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946984 416653809 /nfs/dbraw/zinc/65/38/09/416653809.db2.gz WWLGJWYMZRKGRX-QWHCGFSZSA-N 0 0 320.455 0.115 10 0 DCAERN O=C(NCC(F)F)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000544389770 416655606 /nfs/dbraw/zinc/65/56/06/416655606.db2.gz HDSPMYJBRBZTKF-ZCFIWIBFSA-N 0 0 303.231 0.121 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCCN(C)C2=O)n1 ZINC000441455178 416672641 /nfs/dbraw/zinc/67/26/41/416672641.db2.gz VIPAYHYEAXMSMT-LBPRGKRZSA-N 0 0 306.366 0.553 10 0 DCAERN c1nn2ccccc2c1CNc1ccnc(N2CCOCC2)n1 ZINC000557694718 416748925 /nfs/dbraw/zinc/74/89/25/416748925.db2.gz IKSKDDGTKZHJIS-UHFFFAOYSA-N 0 0 310.361 1.573 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@H]2CCCN(C(N)=O)C2)no1 ZINC000443354221 416753415 /nfs/dbraw/zinc/75/34/15/416753415.db2.gz WGWUIAOYBIVKDP-VIFPVBQESA-N 0 0 309.370 0.774 10 0 DCAERN CN(CCCO)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000442131755 416687202 /nfs/dbraw/zinc/68/72/02/416687202.db2.gz HEKRKSHDTUFMHN-UHFFFAOYSA-N 0 0 311.357 0.969 10 0 DCAERN CN(C(=O)C(=O)Nc1ccc2c(c1)CCCO2)[C@H]1CCNC1=O ZINC000442253982 416688881 /nfs/dbraw/zinc/68/88/81/416688881.db2.gz IFMXTZPSWUNWSI-LBPRGKRZSA-N 0 0 317.345 0.297 10 0 DCAERN CN(C(=O)C(=O)Nc1ccc2c(c1)CCCO2)[C@@H]1CCNC1=O ZINC000442253975 416689922 /nfs/dbraw/zinc/68/99/22/416689922.db2.gz IFMXTZPSWUNWSI-GFCCVEGCSA-N 0 0 317.345 0.297 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@H](O)C2(CC2)C1 ZINC000368785931 416691733 /nfs/dbraw/zinc/69/17/33/416691733.db2.gz GPYNFBOTNADVHA-YPMHNXCESA-N 0 0 304.346 0.611 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(NCC2CC2)nc1 ZINC000548821928 416692484 /nfs/dbraw/zinc/69/24/84/416692484.db2.gz DMPPHLCDZGMIQJ-UHFFFAOYSA-N 0 0 301.354 0.699 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000368815443 416694859 /nfs/dbraw/zinc/69/48/59/416694859.db2.gz COQMGJPRSIZTIY-ZDUSSCGKSA-N 0 0 309.435 0.689 10 0 DCAERN O=C(NCCc1ccc(O)cc1)N1CCN2CCOC[C@H]2C1 ZINC000368821638 416696205 /nfs/dbraw/zinc/69/62/05/416696205.db2.gz CHYNENCNKLTART-CQSZACIVSA-N 0 0 305.378 0.661 10 0 DCAERN Cc1nnc2c(NC[C@H]3CCC4(CCOCC4)[C@H]3O)nccn12 ZINC000556969363 416722645 /nfs/dbraw/zinc/72/26/45/416722645.db2.gz DNADOQXNYBMOPQ-OLZOCXBDSA-N 0 0 317.393 1.412 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)Cn2cncn2)(C(=O)OC)C1(C)C ZINC000614903475 416722672 /nfs/dbraw/zinc/72/26/72/416722672.db2.gz RCQMBBOXDZTTLC-QMTHXVAHSA-N 0 0 310.354 0.141 10 0 DCAERN CN1C(=O)CN(NC(=O)[C@@H]2COc3ccc(Cl)cc32)C1=O ZINC000369738380 416823488 /nfs/dbraw/zinc/82/34/88/416823488.db2.gz XFOKTPXNFZRSTL-SECBINFHSA-N 0 0 309.709 0.741 10 0 DCAERN Cc1ccc(-n2nnnc2N2CCN3CCOC[C@H]3C2)cc1 ZINC000369408412 416766522 /nfs/dbraw/zinc/76/65/22/416766522.db2.gz LMFOKDJHVYQBSJ-CQSZACIVSA-N 0 0 300.366 0.492 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@H](c3nccs3)C2)cn1 ZINC000558631401 416779805 /nfs/dbraw/zinc/77/98/05/416779805.db2.gz QZGNETGAPHHHKF-NSHDSACASA-N 0 0 308.363 0.856 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2c3ccccc3CN(C)C2=O)C1 ZINC000623269749 416785456 /nfs/dbraw/zinc/78/54/56/416785456.db2.gz RNIXDNHZGRMKRL-CQSZACIVSA-N 0 0 301.346 0.294 10 0 DCAERN C[C@H](C1CC1)N(C)S(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000558683125 416789730 /nfs/dbraw/zinc/78/97/30/416789730.db2.gz HFRSELNVCVGRJC-NWDGAFQWSA-N 0 0 317.455 0.952 10 0 DCAERN CC(=O)N1CC(C(=O)N2Cc3ccccc3N(C)C(=O)C2)C1 ZINC000623279971 416790394 /nfs/dbraw/zinc/79/03/94/416790394.db2.gz JAZUQVKAYZRJHL-UHFFFAOYSA-N 0 0 301.346 0.470 10 0 DCAERN Cn1nnc(CNC(=O)NCc2ccccc2-n2cccn2)n1 ZINC000369569077 416796932 /nfs/dbraw/zinc/79/69/32/416796932.db2.gz JPLCILGILPFTKR-UHFFFAOYSA-N 0 0 312.337 0.395 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](COC)C1)CC2 ZINC000369606419 416802167 /nfs/dbraw/zinc/80/21/67/416802167.db2.gz BAFXDAJJWHTIEW-RYUDHWBXSA-N 0 0 307.398 0.833 10 0 DCAERN O=C(CNC(=O)N1CCC2(C1)CCOCC2)NCC(F)(F)F ZINC000369752586 416825067 /nfs/dbraw/zinc/82/50/67/416825067.db2.gz HVCWZOAQGSYNGZ-UHFFFAOYSA-N 0 0 323.315 0.877 10 0 DCAERN CN1C(=O)CN(NC(=O)[C@H]2Cc3ccccc3N(C)C2)C1=O ZINC000369965537 416861133 /nfs/dbraw/zinc/86/11/33/416861133.db2.gz YJMVKUHCINFQRB-NSHDSACASA-N 0 0 302.334 0.220 10 0 DCAERN COc1ncccc1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370015652 416866967 /nfs/dbraw/zinc/86/69/67/416866967.db2.gz FCXJPUMFMFTGNV-CYBMUJFWSA-N 0 0 319.361 0.600 10 0 DCAERN CCO[C@H]1C[C@](NCCCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000444765123 416868991 /nfs/dbraw/zinc/86/89/91/416868991.db2.gz YHNFPCGYNJFZQF-FZMZJTMJSA-N 0 0 321.439 0.758 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ncccc1O ZINC000370057617 416875751 /nfs/dbraw/zinc/87/57/51/416875751.db2.gz YODBYUIQNPSXDA-NSHDSACASA-N 0 0 305.334 0.297 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCCC(N)=O)cc1Cl ZINC000445938686 416904548 /nfs/dbraw/zinc/90/45/48/416904548.db2.gz QEFPTJFTIXMUJW-UHFFFAOYSA-N 0 0 311.725 0.473 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)[C@@H](C)C1 ZINC000632106612 416908797 /nfs/dbraw/zinc/90/87/97/416908797.db2.gz KKRNAJUTPPQNEZ-ONGXEEELSA-N 0 0 310.366 0.914 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)c2ccccc21 ZINC000632133721 416921315 /nfs/dbraw/zinc/92/13/15/416921315.db2.gz HPODTBJNIJIFHW-CYBMUJFWSA-N 0 0 322.386 0.645 10 0 DCAERN CCc1nc(C)cc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000376404938 417028364 /nfs/dbraw/zinc/02/83/64/417028364.db2.gz BNHZAABEIBSAJO-ZDUSSCGKSA-N 0 0 304.394 1.539 10 0 DCAERN O=C(Cc1ccccc1)N1CC[C@@H](Nc2nccn3cnnc23)C1 ZINC000376484079 417029952 /nfs/dbraw/zinc/02/99/52/417029952.db2.gz ILYCMYCBPRLBSP-CQSZACIVSA-N 0 0 322.372 1.380 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN([C@@H](C(=O)OC)C2CC2)C1 ZINC000447395259 416998452 /nfs/dbraw/zinc/99/84/52/416998452.db2.gz NLZGQOKGGMWLSG-IACUBPJLSA-N 0 0 301.383 0.284 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000565627023 417000468 /nfs/dbraw/zinc/00/04/68/417000468.db2.gz ORWQPCAYUAOXQJ-RFGFWPKPSA-N 0 0 321.439 0.050 10 0 DCAERN COC(=O)c1nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)sc1C ZINC000389219204 417097046 /nfs/dbraw/zinc/09/70/46/417097046.db2.gz VYIBQAJCGCIJJQ-HTQZYQBOSA-N 0 0 304.393 1.226 10 0 DCAERN Nc1ncc2c(n1)CCN(C(=O)Cn1ncc3ccccc31)C2 ZINC000521949711 417036424 /nfs/dbraw/zinc/03/64/24/417036424.db2.gz CDIUJPHPTPAPEQ-UHFFFAOYSA-N 0 0 308.345 0.993 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000567213535 417058514 /nfs/dbraw/zinc/05/85/14/417058514.db2.gz GJUQQDGTWZJMIW-HNNXBMFYSA-N 0 0 302.334 0.839 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H](C)C1CC1 ZINC000624593748 417065081 /nfs/dbraw/zinc/06/50/81/417065081.db2.gz BEWURZWDPRELOK-SNVBAGLBSA-N 0 0 311.426 0.958 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccoc1 ZINC000624599007 417065835 /nfs/dbraw/zinc/06/58/35/417065835.db2.gz QVYMDYQONDSDQF-UHFFFAOYSA-N 0 0 309.366 0.705 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)s1 ZINC000448448086 417076866 /nfs/dbraw/zinc/07/68/66/417076866.db2.gz ZKLLAJNKMZCNOL-UHFFFAOYSA-N 0 0 322.390 0.743 10 0 DCAERN Nc1cc([C@H]2c3ccccc3CCN2S(N)(=O)=O)ccn1 ZINC000616583991 417079897 /nfs/dbraw/zinc/07/98/97/417079897.db2.gz HFJBXFXTLFXDDJ-AWEZNQCLSA-N 0 0 304.375 0.815 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616593211 417082928 /nfs/dbraw/zinc/08/29/28/417082928.db2.gz IJYVUAWHYKNIHU-NSHDSACASA-N 0 0 308.363 0.249 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3cccnc32)C1 ZINC000616596212 417083482 /nfs/dbraw/zinc/08/34/82/417083482.db2.gz ZWTAXUOZCJVHRT-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCC[C@@H]1S(N)(=O)=O ZINC000616615027 417084526 /nfs/dbraw/zinc/08/45/26/417084526.db2.gz PTMCRCPZJYBJSW-JTQLQIEISA-N 0 0 307.416 0.612 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CCCCN1S(N)(=O)=O ZINC000616614937 417084547 /nfs/dbraw/zinc/08/45/47/417084547.db2.gz APCNHMVHAKCUAV-SNVBAGLBSA-N 0 0 307.416 0.959 10 0 DCAERN CS(=O)(=O)[C@H]1COCCCN1S(=O)(=O)c1ccccc1 ZINC000616649334 417087488 /nfs/dbraw/zinc/08/74/88/417087488.db2.gz VGXPRSBBNAMBQX-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN CC(=O)Nc1ccc([C@@H]2COCCN(S(N)(=O)=O)C2)cc1 ZINC000616662063 417090718 /nfs/dbraw/zinc/09/07/18/417090718.db2.gz FPLYBHNRPJOMDE-LBPRGKRZSA-N 0 0 313.379 0.264 10 0 DCAERN CCOC(=O)[C@H]1CN(CCNC(=O)OC(C)(C)C)CCN1 ZINC000616653798 417090982 /nfs/dbraw/zinc/09/09/82/417090982.db2.gz KNKMZXWXOHPTQC-LLVKDONJSA-N 0 0 301.387 0.348 10 0 DCAERN Nc1cccc([C@H]2CNc3ccccc3N2S(N)(=O)=O)n1 ZINC000616682023 417092486 /nfs/dbraw/zinc/09/24/86/417092486.db2.gz CJWTZEGLWHGRQM-GFCCVEGCSA-N 0 0 305.363 0.841 10 0 DCAERN O=C(NCCN1CCOCC1)c1nscc1Br ZINC000404880831 417122053 /nfs/dbraw/zinc/12/20/53/417122053.db2.gz FXYWYUSQSKWGDX-UHFFFAOYSA-N 0 0 320.212 0.968 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)cc(C)c1F ZINC000295703955 225143213 /nfs/dbraw/zinc/14/32/13/225143213.db2.gz KDTNTWXQUZKRSB-NSHDSACASA-N 0 0 300.355 0.999 10 0 DCAERN O=S1(=O)CCC(CN2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000407947540 417128471 /nfs/dbraw/zinc/12/84/71/417128471.db2.gz FYTFWRYGHXVYNP-SNVBAGLBSA-N 0 0 301.330 0.810 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCN[C@H](c2ccncc2)C1 ZINC000407967751 417131028 /nfs/dbraw/zinc/13/10/28/417131028.db2.gz RGOKWPHVXDZJNU-KGLIPLIRSA-N 0 0 302.378 0.613 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408074941 417140341 /nfs/dbraw/zinc/14/03/41/417140341.db2.gz WOWFCRBGFNIMLO-ZYHUDNBSSA-N 0 0 308.300 0.913 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000408207750 417148985 /nfs/dbraw/zinc/14/89/85/417148985.db2.gz XUMVBTHOEIZXKP-JTQLQIEISA-N 0 0 315.313 0.479 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408325146 417154645 /nfs/dbraw/zinc/15/46/45/417154645.db2.gz WSAPJTMWUPTNAT-UHFFFAOYSA-N 0 0 319.386 0.836 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)Nc2nncs2)CCN1C ZINC000408332548 417156815 /nfs/dbraw/zinc/15/68/15/417156815.db2.gz UZRUIYNIPINBKN-SECBINFHSA-N 0 0 307.383 0.792 10 0 DCAERN O=C(Cc1ccc2c[nH]nc2c1)N1CCN2CCOC[C@@H]2C1 ZINC000527256057 417229283 /nfs/dbraw/zinc/22/92/83/417229283.db2.gz MPCGCFNBHWWZDN-AWEZNQCLSA-N 0 0 300.362 0.648 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1C(=O)N[C@H]1CCN(C)C1=O)C1CC1 ZINC000432313073 417170361 /nfs/dbraw/zinc/17/03/61/417170361.db2.gz JDCYCROZZMBQPI-KGLIPLIRSA-N 0 0 322.409 0.402 10 0 DCAERN CC(=O)N[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC000526034618 417175854 /nfs/dbraw/zinc/17/58/54/417175854.db2.gz HIHWZXKVLAEMRL-BBRMVZONSA-N 0 0 312.410 0.944 10 0 DCAERN CC(=O)CCC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000617457255 417223113 /nfs/dbraw/zinc/22/31/13/417223113.db2.gz XBFIWGFXSUXLCO-IUCAKERBSA-N 0 0 315.313 0.790 10 0 DCAERN COC[C@](C)(O)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000569659464 417279311 /nfs/dbraw/zinc/27/93/11/417279311.db2.gz CTQBFZNOIXDSHM-HNNXBMFYSA-N 0 0 319.365 0.669 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000632843884 417281371 /nfs/dbraw/zinc/28/13/71/417281371.db2.gz YUIDBXYFYXEGRQ-WDEREUQCSA-N 0 0 308.338 0.492 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1C ZINC000569278511 417234469 /nfs/dbraw/zinc/23/44/69/417234469.db2.gz CDYYDDSCACQFMA-IUCAKERBSA-N 0 0 302.334 0.113 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncnc3c2cnn3C)CC12COC2 ZINC000450569459 417238529 /nfs/dbraw/zinc/23/85/29/417238529.db2.gz WPIPKIVMYSIWJQ-LLVKDONJSA-N 0 0 317.349 0.379 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)N[C@@H]3CN(C)NC3=O)cnc21 ZINC000450612863 417249311 /nfs/dbraw/zinc/24/93/11/417249311.db2.gz LMVHRJHALVUKOL-GFCCVEGCSA-N 0 0 316.365 0.162 10 0 DCAERN C[C@H](CN1C(=O)N[C@@H](CCOC(C)(C)C)C1=O)S(C)(=O)=O ZINC000570471532 417360126 /nfs/dbraw/zinc/36/01/26/417360126.db2.gz JSDSNBSECHMNGM-ZJUUUORDSA-N 0 0 320.411 0.545 10 0 DCAERN CCOC(=O)[C@H]1CN([C@H](C(N)=O)c2ccccc2)CC12COC2 ZINC000451135380 417305779 /nfs/dbraw/zinc/30/57/79/417305779.db2.gz MLJMJMTUVKFQEE-KGLIPLIRSA-N 0 0 318.373 0.725 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)CC1 ZINC000632989577 417309144 /nfs/dbraw/zinc/30/91/44/417309144.db2.gz AKQYZCSNQDPIJN-UHFFFAOYSA-N 0 0 318.377 0.597 10 0 DCAERN CC[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000570117269 417314559 /nfs/dbraw/zinc/31/45/59/417314559.db2.gz LTLKWYBTSARPFU-QWHCGFSZSA-N 0 0 321.421 0.905 10 0 DCAERN O=C(c1cc(O)cc(Br)c1)N1CCO[C@H](CO)C1 ZINC000528861958 417399902 /nfs/dbraw/zinc/39/99/02/417399902.db2.gz LJFCAGPFCPNKBD-NSHDSACASA-N 0 0 316.151 0.988 10 0 DCAERN C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000129088540 299048205 /nfs/dbraw/zinc/04/82/05/299048205.db2.gz DIGNPAVYVUSAHV-JQWIXIFHSA-N 0 0 312.391 0.559 10 0 DCAERN Brc1cncnc1NCC1(N2CCOCC2)CC1 ZINC000572582072 417460347 /nfs/dbraw/zinc/46/03/47/417460347.db2.gz QQHRXNKLBCGEPB-UHFFFAOYSA-N 0 0 313.199 1.516 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc3n(n2)CCC3)CC12COC2 ZINC000452230474 417460261 /nfs/dbraw/zinc/46/02/61/417460261.db2.gz XWOWKSVXVRYNHE-GFCCVEGCSA-N 0 0 319.361 0.481 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)CC12COC2 ZINC000452230475 417460624 /nfs/dbraw/zinc/46/06/24/417460624.db2.gz XWOWKSVXVRYNHE-LBPRGKRZSA-N 0 0 319.361 0.481 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@](C)(O)C2CC2)CC12COC2 ZINC000452264977 417462950 /nfs/dbraw/zinc/46/29/50/417462950.db2.gz PJXMWQXRJYSUMX-DOMZBBRYSA-N 0 0 311.378 0.576 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)CC12COC2 ZINC000452267497 417464233 /nfs/dbraw/zinc/46/42/33/417464233.db2.gz VOCGRWXMSPRLAB-STQMWFEESA-N 0 0 311.378 0.984 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000633625800 417467860 /nfs/dbraw/zinc/46/78/60/417467860.db2.gz ITPJSBVKHPQMBF-WCQGTBRESA-N 0 0 302.396 0.079 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000633659261 417471494 /nfs/dbraw/zinc/47/14/94/417471494.db2.gz LPCACRDTJJICFH-UONOGXRCSA-N 0 0 309.410 0.761 10 0 DCAERN CN(C)c1nccc(N[C@@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000573981916 417478299 /nfs/dbraw/zinc/47/82/99/417478299.db2.gz JVPIYYVSOUIUOV-LLVKDONJSA-N 0 0 315.381 0.884 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2cccnc2)CC12COC2 ZINC000454182743 417548562 /nfs/dbraw/zinc/54/85/62/417548562.db2.gz WVMPFRUFATZPPR-CYBMUJFWSA-N 0 0 319.361 0.803 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)s1 ZINC000633886301 417511581 /nfs/dbraw/zinc/51/15/81/417511581.db2.gz XZNCSQWBVHFKQN-ZIAGYGMSSA-N 0 0 321.358 0.471 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2cc(C)nnc2N(C)C)nn1 ZINC000622908080 417518057 /nfs/dbraw/zinc/51/80/57/417518057.db2.gz ARTWMKAQEPMDPX-UHFFFAOYSA-N 0 0 303.326 0.284 10 0 DCAERN CCc1noc(C)c1CNC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000454782679 417579225 /nfs/dbraw/zinc/57/92/25/417579225.db2.gz ZHLJQSLMHMAFLS-UHFFFAOYSA-N 0 0 320.353 0.498 10 0 DCAERN O=C(NCC[C@H]1CCOC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000576135562 417584674 /nfs/dbraw/zinc/58/46/74/417584674.db2.gz KJHORUBMJWOTDU-KBPBESRZSA-N 0 0 309.410 0.226 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCCc1ccc(F)c(F)c1 ZINC000530325190 417566053 /nfs/dbraw/zinc/56/60/53/417566053.db2.gz ZUPQDSSJVVYJRH-UHFFFAOYSA-N 0 0 310.308 0.872 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H](CC)COC)CC12COC2 ZINC000454554566 417568552 /nfs/dbraw/zinc/56/85/52/417568552.db2.gz YNOXWWDIUMAMBU-NEPJUHHUSA-N 0 0 314.382 0.633 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1 ZINC000530357949 417572462 /nfs/dbraw/zinc/57/24/62/417572462.db2.gz QNWLNWUVOIRRDJ-GFCCVEGCSA-N 0 0 301.346 0.707 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCC[C@H]2CCOC2)C1 ZINC000454679241 417575796 /nfs/dbraw/zinc/57/57/96/417575796.db2.gz NYZNZPKGDCGYSO-STQMWFEESA-N 0 0 312.414 0.906 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NCC[C@@H](O)C(F)F)c1 ZINC000635269145 417624852 /nfs/dbraw/zinc/62/48/52/417624852.db2.gz HWTGZGNPQOEBBN-LLVKDONJSA-N 0 0 314.288 0.960 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC2(C)COC2)c1 ZINC000635323968 417637044 /nfs/dbraw/zinc/63/70/44/417637044.db2.gz BCLGZNMPAQJTLQ-UHFFFAOYSA-N 0 0 305.334 0.513 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN(CCO)C[C@@H]2C)cc1 ZINC000457142706 417693062 /nfs/dbraw/zinc/69/30/62/417693062.db2.gz ZKGOUARFQAFESA-ZDUSSCGKSA-N 0 0 304.390 0.957 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N(C)Cc1nnnn1C ZINC000531812049 417642111 /nfs/dbraw/zinc/64/21/11/417642111.db2.gz FVOJIKRWBAVIIG-UHFFFAOYSA-N 0 0 310.383 0.707 10 0 DCAERN Cn1cnc(CCNC(=O)Cn2cc(-c3ccccc3)nn2)n1 ZINC000531887153 417647222 /nfs/dbraw/zinc/64/72/22/417647222.db2.gz BOXBDOYRBXAXSX-UHFFFAOYSA-N 0 0 311.349 0.433 10 0 DCAERN Cn1ncc2c1nnn(Cc1cn(-c3ccccc3)nn1)c2=O ZINC000440840219 287409485 /nfs/dbraw/zinc/40/94/85/287409485.db2.gz AWLRYALSHFKFTC-UHFFFAOYSA-N 0 0 308.305 0.154 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000532165295 417665210 /nfs/dbraw/zinc/66/52/10/417665210.db2.gz SEGYABIGFQWPAL-CABZTGNLSA-N 0 0 316.404 0.507 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(O)cc2)[C@@H](C)C1 ZINC000532184203 417666769 /nfs/dbraw/zinc/66/67/69/417666769.db2.gz SMQSTWKJSADNQV-NSHDSACASA-N 0 0 319.361 0.201 10 0 DCAERN COc1c(F)cc(CC(=O)NCCCF)cc1S(N)(=O)=O ZINC000532268821 417669315 /nfs/dbraw/zinc/66/93/15/417669315.db2.gz ICMBOSCOSRESRR-UHFFFAOYSA-N 0 0 322.333 0.500 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1cncc(Br)c1 ZINC000629218973 417760794 /nfs/dbraw/zinc/76/07/94/417760794.db2.gz YCGKPIWZLPOCDA-VHSXEESVSA-N 0 0 301.140 0.724 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458121553 417723729 /nfs/dbraw/zinc/72/37/29/417723729.db2.gz FZWMPXUGPQNMBB-CHWSQXEVSA-N 0 0 304.350 0.531 10 0 DCAERN CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458130016 417723952 /nfs/dbraw/zinc/72/39/52/417723952.db2.gz FNVZHCRKZANBSE-WCQYABFASA-N 0 0 322.340 0.752 10 0 DCAERN C[C@H](CCOc1ccccc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458151261 417725357 /nfs/dbraw/zinc/72/53/57/417725357.db2.gz WLBCKLMQBFLVBC-KGLIPLIRSA-N 0 0 318.377 0.860 10 0 DCAERN O[C@@H]1CN(c2ccc(Br)cn2)C[C@H]1n1ccnn1 ZINC000631404899 417873679 /nfs/dbraw/zinc/87/36/79/417873679.db2.gz FNZHTMRVMCIZPO-NXEZZACHSA-N 0 0 310.155 0.858 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)C(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444564130 287427771 /nfs/dbraw/zinc/42/77/71/287427771.db2.gz XUCOEBJOPSIWKT-ZUZCIYMTSA-N 0 0 312.366 0.128 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000640803453 417918229 /nfs/dbraw/zinc/91/82/29/417918229.db2.gz VNKBDVQQSNOHCN-IJLUTSLNSA-N 0 0 304.412 0.172 10 0 DCAERN Cc1c[nH]cc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)c1=O ZINC000665651664 418230488 /nfs/dbraw/zinc/23/04/88/418230488.db2.gz GFWGDOHZVWHXLG-XHDPSFHLSA-N 0 0 316.361 0.924 10 0 DCAERN CC(C)[C@@H](CO)[C@H](NC(=O)CN1CCOCC1=O)C(C)C ZINC000452908034 287490276 /nfs/dbraw/zinc/49/02/76/287490276.db2.gz DCYXNQTVAKVGAP-IUODEOHRSA-N 0 0 300.399 0.251 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000460077826 287513438 /nfs/dbraw/zinc/51/34/38/287513438.db2.gz QRRJTCHTYAVNRX-GUYCJALGSA-N 0 0 321.421 0.764 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)nc1 ZINC000487090756 287531484 /nfs/dbraw/zinc/53/14/84/287531484.db2.gz DOOKDKLYQBDXCV-UWVGGRQHSA-N 0 0 323.349 0.276 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](CO)[C@@H]2C)oc1C ZINC000487401404 287536340 /nfs/dbraw/zinc/53/63/40/287536340.db2.gz FAJLOULAZKVUOE-WCBMZHEXSA-N 0 0 317.363 0.766 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CO[C@H](C)CC ZINC000487096819 287531832 /nfs/dbraw/zinc/53/18/32/287531832.db2.gz OBPCZEJPYRVHHW-VWYCJHECSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(SC)CCC1 ZINC000488304077 287548842 /nfs/dbraw/zinc/54/88/42/287548842.db2.gz BWOVJWZTWKHWSK-UWVGGRQHSA-N 0 0 316.423 0.845 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1OC ZINC000488321510 287549548 /nfs/dbraw/zinc/54/95/48/287549548.db2.gz PZCOTRMFWUAFIE-QWRGUYRKSA-N 0 0 322.361 0.881 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557387 296952965 /nfs/dbraw/zinc/95/29/65/296952965.db2.gz KXRMDTTWYLTYOQ-VXGBXAGGSA-N 0 0 302.440 0.752 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@H](C(N)=O)C1 ZINC000408379022 287575334 /nfs/dbraw/zinc/57/53/34/287575334.db2.gz YDKIGSBSFJXLBA-SKDRFNHKSA-N 0 0 301.350 0.694 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2O)cc1 ZINC000021010672 261104359 /nfs/dbraw/zinc/10/43/59/261104359.db2.gz BPKTYDXDVCKDKP-UHFFFAOYSA-N 0 0 306.343 0.970 10 0 DCAERN Cn1cnn(-c2ccc(NC(=O)NC3(CO)CC3)cc2)c1=O ZINC000179416373 261113016 /nfs/dbraw/zinc/11/30/16/261113016.db2.gz UYNSHSPRZWSBRT-UHFFFAOYSA-N 0 0 303.322 0.217 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@H]1CCOC1 ZINC000179363223 261113076 /nfs/dbraw/zinc/11/30/76/261113076.db2.gz LBULTXHWQGFKDV-AAEUAGOBSA-N 0 0 316.361 0.873 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)C(C)C ZINC000179758467 261113790 /nfs/dbraw/zinc/11/37/90/261113790.db2.gz QYLAGYZSSRGKMO-SMDDNHRTSA-N 0 0 308.378 0.833 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CN(C)CCO2)CC[S@]1=O ZINC000183850637 261117664 /nfs/dbraw/zinc/11/76/64/261117664.db2.gz ABYIHVILFWIBNC-FKIZINRSSA-N 0 0 302.440 0.467 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCc1cc(C(N)=O)co1 ZINC000186655985 261121164 /nfs/dbraw/zinc/12/11/64/261121164.db2.gz JKRNBBWUIUOFFF-UHFFFAOYSA-N 0 0 315.329 0.733 10 0 DCAERN NC(=O)c1coc(CNC(=O)CNC(=O)c2ccccc2)c1 ZINC000186682263 261121286 /nfs/dbraw/zinc/12/12/86/261121286.db2.gz OBGKRQHCDBBUIH-UHFFFAOYSA-N 0 0 301.302 0.425 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)NCc1cc(C(N)=O)co1 ZINC000186655882 261121501 /nfs/dbraw/zinc/12/15/01/261121501.db2.gz OCGGQWYVPJEBJV-UHFFFAOYSA-N 0 0 309.366 0.937 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H](OC)C1)C(C)C ZINC000187707389 261124833 /nfs/dbraw/zinc/12/48/33/261124833.db2.gz ATEOVWSHGBNUIP-SCRDCRAPSA-N 0 0 300.399 0.657 10 0 DCAERN CO[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC[C@@H]1C ZINC000187734066 261124913 /nfs/dbraw/zinc/12/49/13/261124913.db2.gz UBTUCXBBJYITGM-AAEUAGOBSA-N 0 0 318.439 0.541 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)c1 ZINC000187894231 261125080 /nfs/dbraw/zinc/12/50/80/261125080.db2.gz BJJFIELCVUEZBU-UHFFFAOYSA-N 0 0 315.329 0.876 10 0 DCAERN COC(=O)[C@]1(C)CCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000188207661 261126188 /nfs/dbraw/zinc/12/61/88/261126188.db2.gz ALYYLQFGHSJJFI-AAEUAGOBSA-N 0 0 304.412 0.991 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)c1cn2ccnc2s1 ZINC000188305309 261126637 /nfs/dbraw/zinc/12/66/37/261126637.db2.gz LVKFPMFQIAVOIC-UHFFFAOYSA-N 0 0 315.358 0.951 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)NCCCn1ccnn1 ZINC000188464158 261127702 /nfs/dbraw/zinc/12/77/02/261127702.db2.gz XEVBCABTRWYPKZ-OAHLLOKOSA-N 0 0 317.393 0.879 10 0 DCAERN Cc1cc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)cc(C)c1O ZINC000188682831 261129910 /nfs/dbraw/zinc/12/99/10/261129910.db2.gz BPATVELNTDYVNR-UHFFFAOYSA-N 0 0 317.345 0.218 10 0 DCAERN CN(C)c1ncc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)cn1 ZINC000188782564 261130241 /nfs/dbraw/zinc/13/02/41/261130241.db2.gz YWIYYNVEDRHKJU-UHFFFAOYSA-N 0 0 311.305 0.426 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2c1 ZINC000189464161 261131706 /nfs/dbraw/zinc/13/17/06/261131706.db2.gz OSVIPKCIDLFEBZ-FZMZJTMJSA-N 0 0 317.345 0.939 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(C)cc1 ZINC000190521624 261134275 /nfs/dbraw/zinc/13/42/75/261134275.db2.gz HLIHQASGDNOZHT-INIZCTEOSA-N 0 0 317.389 0.909 10 0 DCAERN COCCOc1cccc(CC(=O)N2CC(NC(C)=O)C2)c1 ZINC000190445657 261134473 /nfs/dbraw/zinc/13/44/73/261134473.db2.gz ZUSAEQOELCKTME-UHFFFAOYSA-N 0 0 306.362 0.601 10 0 DCAERN COCCN(C)S(=O)(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000191067994 261136701 /nfs/dbraw/zinc/13/67/01/261136701.db2.gz GWMQNUJYRYKYSC-UHFFFAOYSA-N 0 0 316.423 0.964 10 0 DCAERN COc1ccc(COC[C@@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191730083 261138516 /nfs/dbraw/zinc/13/85/16/261138516.db2.gz WXEIIMQDGRMOCE-HNNXBMFYSA-N 0 0 308.378 0.393 10 0 DCAERN CCn1ncnc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000193335823 261141437 /nfs/dbraw/zinc/14/14/37/261141437.db2.gz AUWBRYHQJWDPID-UHFFFAOYSA-N 0 0 313.369 0.058 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000194283204 261146012 /nfs/dbraw/zinc/14/60/12/261146012.db2.gz BVZJESSSMLBATF-LDYMZIIASA-N 0 0 319.390 0.798 10 0 DCAERN O=C(CC1CCCCC1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194888321 261149492 /nfs/dbraw/zinc/14/94/92/261149492.db2.gz GEUQEFKOLFJPNM-CQSZACIVSA-N 0 0 321.421 0.764 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](CO)C1 ZINC000221054097 261152271 /nfs/dbraw/zinc/15/22/71/261152271.db2.gz WGQJUELIFXMGFT-OLZOCXBDSA-N 0 0 318.439 0.422 10 0 DCAERN O=S(=O)(N1CC[C@@H](CCO)C1)N1CCc2ccccc2C1 ZINC000227064056 261153061 /nfs/dbraw/zinc/15/30/61/261153061.db2.gz RVIMONGMMRWGFN-ZDUSSCGKSA-N 0 0 310.419 0.994 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)C(C)(C)C)C[C@H](C)O1 ZINC000228540020 261154043 /nfs/dbraw/zinc/15/40/43/261154043.db2.gz JRFUMPFRVTXMQX-GRYCIOLGSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCC1=O ZINC000276364700 261170583 /nfs/dbraw/zinc/17/05/83/261170583.db2.gz MLDWAJQFOONCOE-ZETCQYMHSA-N 0 0 302.377 0.447 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000357384188 261534284 /nfs/dbraw/zinc/53/42/84/261534284.db2.gz SWZMJXMPFQSBIB-HZSPNIEDSA-N 0 0 322.361 0.470 10 0 DCAERN COCCN(C(=O)N[C@@H](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000357524859 261551128 /nfs/dbraw/zinc/55/11/28/261551128.db2.gz VPXCJMVILHSHCN-CMPLNLGQSA-N 0 0 304.412 0.630 10 0 DCAERN CSc1cc(CNC(=O)N2CC[C@H](NC(N)=O)C2)ccn1 ZINC000357643578 261565621 /nfs/dbraw/zinc/56/56/21/261565621.db2.gz FXKXAVMGUXDZFU-JTQLQIEISA-N 0 0 309.395 0.756 10 0 DCAERN CC(C)NC(=O)CN(C)CC(=O)Nc1cn(C)nc1C(C)C ZINC000357677575 261570254 /nfs/dbraw/zinc/57/02/54/261570254.db2.gz VKEQKVJALSIJRH-UHFFFAOYSA-N 0 0 309.414 0.938 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H](C)CCS(C)(=O)=O)[C@@H](C)C1 ZINC000357831849 261590232 /nfs/dbraw/zinc/59/02/32/261590232.db2.gz GNRDDKZAPSUANQ-MNOVXSKESA-N 0 0 319.427 0.072 10 0 DCAERN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1ccnnc1 ZINC000358113058 261632848 /nfs/dbraw/zinc/63/28/48/261632848.db2.gz RCYSFRRBFBIPPO-UHFFFAOYSA-N 0 0 307.331 0.495 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCc1cn[nH]c1 ZINC000358201758 261647307 /nfs/dbraw/zinc/64/73/07/261647307.db2.gz VGMOEMHQYIPFKW-JTQLQIEISA-N 0 0 302.400 0.417 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)NC[C@H](CO)C1CC1 ZINC000358483613 261673527 /nfs/dbraw/zinc/67/35/27/261673527.db2.gz XDUUBUHEFXAOQG-ZIAGYGMSSA-N 0 0 300.399 0.890 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000358506036 261675446 /nfs/dbraw/zinc/67/54/46/261675446.db2.gz BZTWEPVIOHRFDQ-RYUDHWBXSA-N 0 0 303.428 0.709 10 0 DCAERN Cc1cccc(C(C)C)c1NC(=O)C(=O)NCCn1ncnn1 ZINC000359370521 261740515 /nfs/dbraw/zinc/74/05/15/261740515.db2.gz BVUHFYTTWOOYSD-UHFFFAOYSA-N 0 0 316.365 0.860 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000359777334 261767167 /nfs/dbraw/zinc/76/71/67/261767167.db2.gz HBMWLTJNYIIRTO-LBPRGKRZSA-N 0 0 312.391 0.343 10 0 DCAERN CS[C@@H](C)CNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000360118878 261793388 /nfs/dbraw/zinc/79/33/88/261793388.db2.gz RUUNZVVRNRELLL-UWVGGRQHSA-N 0 0 306.453 0.181 10 0 DCAERN C[C@]1(C2CCN(C(=O)c3cccc(O)c3)CC2)NC(=O)NC1=O ZINC000360466582 261835174 /nfs/dbraw/zinc/83/51/74/261835174.db2.gz MTCLVTHHVYMFPC-MRXNPFEDSA-N 0 0 317.345 0.843 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502201 261839506 /nfs/dbraw/zinc/83/95/06/261839506.db2.gz CCGHXHSEXGPXQM-ZIAGYGMSSA-N 0 0 315.377 0.787 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360558856 261844919 /nfs/dbraw/zinc/84/49/19/261844919.db2.gz DBFPLFOLJILPPT-CYBMUJFWSA-N 0 0 324.402 0.511 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)CCc3ccccn3)CCN2C1=O ZINC000360915276 261887884 /nfs/dbraw/zinc/88/78/84/261887884.db2.gz XIFCYJRHBJRDJW-ZDUSSCGKSA-N 0 0 316.361 0.509 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C)C1CCOCC1 ZINC000361102185 261897165 /nfs/dbraw/zinc/89/71/65/261897165.db2.gz NNEPEKIPCUIFOH-BNOWGMLFSA-N 0 0 312.410 0.537 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000362177204 262006845 /nfs/dbraw/zinc/00/68/45/262006845.db2.gz HWLGWKGUMGUFAF-CYBMUJFWSA-N 0 0 320.345 0.621 10 0 DCAERN COC[C@](C)(NC(=O)CS(=O)(=O)C(C)C)C(F)(F)F ZINC000362207399 262009619 /nfs/dbraw/zinc/00/96/19/262009619.db2.gz KEXRNUWBWUMUHJ-VIFPVBQESA-N 0 0 305.318 0.893 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000362234368 262013583 /nfs/dbraw/zinc/01/35/83/262013583.db2.gz MIHZNGMGUSWKQC-SNVBAGLBSA-N 0 0 319.361 0.543 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1CCCC1 ZINC000362467351 262038928 /nfs/dbraw/zinc/03/89/28/262038928.db2.gz RQFCJFORFVXLSD-WDEREUQCSA-N 0 0 313.398 0.932 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000362566957 262047441 /nfs/dbraw/zinc/04/74/41/262047441.db2.gz GXGVIMMUOJDKNA-CQSZACIVSA-N 0 0 313.442 0.454 10 0 DCAERN COc1ccc(NC(=O)[C@H](CO)NC(=O)C(C)C)cc1CO ZINC000362938405 262088489 /nfs/dbraw/zinc/08/84/89/262088489.db2.gz MGFBEYDARQMWNO-LBPRGKRZSA-N 0 0 310.350 0.259 10 0 DCAERN O=C(NC[C@H](O)C1CC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000362961046 262089871 /nfs/dbraw/zinc/08/98/71/262089871.db2.gz CNIHPVWYNNJEFZ-OLZOCXBDSA-N 0 0 305.382 0.516 10 0 DCAERN COc1cccc(N2C[C@@H](NC(=O)c3ccnn3C)CC2=O)c1 ZINC000363102787 262099172 /nfs/dbraw/zinc/09/91/72/262099172.db2.gz VKQGGXOVMPMKKP-NSHDSACASA-N 0 0 314.345 0.964 10 0 DCAERN CN(C)c1ccc(NC(=O)N2CCCS(=O)(=O)CC2)cn1 ZINC000363550733 262120889 /nfs/dbraw/zinc/12/08/89/262120889.db2.gz FNEMXRQLKBCWSI-UHFFFAOYSA-N 0 0 312.395 0.800 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000363681036 262127375 /nfs/dbraw/zinc/12/73/75/262127375.db2.gz YMCZRGAIWRUYNH-OAHLLOKOSA-N 0 0 323.437 0.568 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793259 262130393 /nfs/dbraw/zinc/13/03/93/262130393.db2.gz HUAJYRVCXKVUFX-HNNXBMFYSA-N 0 0 323.824 0.973 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N1CCC(O)CC1 ZINC000363849721 262134255 /nfs/dbraw/zinc/13/42/55/262134255.db2.gz VWSVEIJVAKAXAG-UHFFFAOYSA-N 0 0 304.346 0.933 10 0 DCAERN O=C(C[C@H](O)c1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000363863827 262135114 /nfs/dbraw/zinc/13/51/14/262135114.db2.gz CAGQHLYVABEXBD-CABCVRRESA-N 0 0 308.353 0.792 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000420698551 262380669 /nfs/dbraw/zinc/38/06/69/262380669.db2.gz LNMHODWRCZHKCF-BETUJISGSA-N 0 0 306.428 0.887 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(c3nnc(C4CC4)s3)C2)n1 ZINC000431419559 262632643 /nfs/dbraw/zinc/63/26/43/262632643.db2.gz FOFHMYKTUWTCII-VIFPVBQESA-N 0 0 319.394 0.947 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cnc2n[nH]nc2c1 ZINC000357119242 271044640 /nfs/dbraw/zinc/04/46/40/271044640.db2.gz TZFJMPMGWROFPJ-GFCCVEGCSA-N 0 0 322.328 0.888 10 0 DCAERN CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C ZINC000358663322 271065164 /nfs/dbraw/zinc/06/51/64/271065164.db2.gz KCIAFCAESATIAL-UWVGGRQHSA-N 0 0 317.415 0.133 10 0 DCAERN COCCN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000358920399 271080054 /nfs/dbraw/zinc/08/00/54/271080054.db2.gz CGWQPXVCIDXCEX-UHFFFAOYSA-N 0 0 321.377 0.618 10 0 DCAERN COC(=O)[C@H](Sc1nnc(N2CCOCC2)n1C)C1CC1 ZINC000358926977 271082375 /nfs/dbraw/zinc/08/23/75/271082375.db2.gz UIAXPFGGMUEMTE-SNVBAGLBSA-N 0 0 312.395 0.695 10 0 DCAERN CN(C)c1noc(CNC(=O)NC[C@@H](CO)c2ccccc2)n1 ZINC000359002494 271087273 /nfs/dbraw/zinc/08/72/73/271087273.db2.gz ROYZCXJVUJNPSS-LBPRGKRZSA-N 0 0 319.365 0.711 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)n1 ZINC000359223475 271107044 /nfs/dbraw/zinc/10/70/44/271107044.db2.gz DJSGLBKAWMAXJE-QWHCGFSZSA-N 0 0 321.377 0.433 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000359227283 271108024 /nfs/dbraw/zinc/10/80/24/271108024.db2.gz NDKTVJOFXKPHKG-RDBSUJKOSA-N 0 0 321.421 0.692 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000359393899 271113158 /nfs/dbraw/zinc/11/31/58/271113158.db2.gz XIOSGZORRBXXPW-QMTHXVAHSA-N 0 0 319.361 0.447 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CO)C1CCCC1 ZINC000359608809 271130345 /nfs/dbraw/zinc/13/03/45/271130345.db2.gz FPTNQCNACSHDQO-XJKSGUPXSA-N 0 0 308.378 0.267 10 0 DCAERN O=C(Nc1cccnc1-n1cncn1)c1cccc2ncnn21 ZINC000359649888 271137050 /nfs/dbraw/zinc/13/70/50/271137050.db2.gz WAEWUQQJTUQGEO-UHFFFAOYSA-N 0 0 306.289 0.957 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000359768024 271141146 /nfs/dbraw/zinc/14/11/46/271141146.db2.gz OMTZZDCVBOEZHU-DGCLKSJQSA-N 0 0 315.373 0.684 10 0 DCAERN CC(=O)N(C)CC(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000361057254 271175765 /nfs/dbraw/zinc/17/57/65/271175765.db2.gz ZSVKQPUPRZUQMH-LBPRGKRZSA-N 0 0 314.332 0.710 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC(n3cc(C)cn3)C2)CC1=O ZINC000363473014 271192510 /nfs/dbraw/zinc/19/25/10/271192510.db2.gz XIYNVTNFXDIDPN-GFCCVEGCSA-N 0 0 306.366 0.070 10 0 DCAERN COc1ccc(C(=O)C[C@@H](C)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 ZINC000363704433 271200072 /nfs/dbraw/zinc/20/00/72/271200072.db2.gz UMCDCLJIEBBSSG-KWCYVHTRSA-N 0 0 321.373 0.858 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399062636 271218686 /nfs/dbraw/zinc/21/86/86/271218686.db2.gz JNMBGDJQZAXEGH-IVZWLZJFSA-N 0 0 319.814 0.855 10 0 DCAERN O=S(=O)(NCC1CC1)c1ccc(NC[C@@H](O)C(F)F)nc1 ZINC000435602716 271569096 /nfs/dbraw/zinc/56/90/96/271569096.db2.gz WNHDMOQLWXHRIA-SNVBAGLBSA-N 0 0 321.349 0.808 10 0 DCAERN CCCN(C(=O)Cc1cn(C)nc1C)[C@@H]1CC(=O)N(C)C1=O ZINC000451509803 271900798 /nfs/dbraw/zinc/90/07/98/271900798.db2.gz ZIQAIZCNVWBYQX-GFCCVEGCSA-N 0 0 306.366 0.267 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2O[C@H](C)C[C@H]2C)CC12COC2 ZINC000452224791 271911618 /nfs/dbraw/zinc/91/16/18/271911618.db2.gz PSMVREOZXSMLAC-FVCCEPFGSA-N 0 0 311.378 0.838 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cncnc2C)CC12COC2 ZINC000452268291 271913354 /nfs/dbraw/zinc/91/33/54/271913354.db2.gz WOPJXGQWQCTTQG-LBPRGKRZSA-N 0 0 305.334 0.437 10 0 DCAERN CCOc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000457975364 271939683 /nfs/dbraw/zinc/93/96/83/271939683.db2.gz DKSXGLXZLWVUSZ-ZDUSSCGKSA-N 0 0 319.365 0.537 10 0 DCAERN COc1cc(C)cc(C(=O)NC[C@@H](O)Cn2ccnn2)c1O ZINC000458151251 271944780 /nfs/dbraw/zinc/94/47/80/271944780.db2.gz WKLYYTJYNAAYNG-SNVBAGLBSA-N 0 0 306.322 0.092 10 0 DCAERN CCOc1cccc(CCNC(=O)N2C[C@H](O)[C@H](CO)C2)c1 ZINC000458562743 271963557 /nfs/dbraw/zinc/96/35/57/271963557.db2.gz DEFLGOVYKZIBLG-ZFWWWQNUSA-N 0 0 308.378 0.622 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000458555039 271963780 /nfs/dbraw/zinc/96/37/80/271963780.db2.gz YBAIRFMBUDTYTA-JQWIXIFHSA-N 0 0 321.381 0.951 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCO1 ZINC000459890928 272016930 /nfs/dbraw/zinc/01/69/30/272016930.db2.gz GQHRPQRGCPHDSS-JOYOIKCWSA-N 0 0 324.299 0.150 10 0 DCAERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000471924140 272032545 /nfs/dbraw/zinc/03/25/45/272032545.db2.gz LHLSVGFMIZVYKN-YUMQZZPRSA-N 0 0 322.287 0.521 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CC)ccn1 ZINC000487114662 272038179 /nfs/dbraw/zinc/03/81/79/272038179.db2.gz QCTNTUZFDGMQSO-QWRGUYRKSA-N 0 0 321.377 0.830 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccccn1 ZINC000487154265 272038843 /nfs/dbraw/zinc/03/88/43/272038843.db2.gz PUFMTZLMLDXDRY-NEPJUHHUSA-N 0 0 321.377 0.587 10 0 DCAERN c1cnc(OC2CCN(Cc3nnnn3C3CC3)CC2)cn1 ZINC000488738481 272050024 /nfs/dbraw/zinc/05/00/24/272050024.db2.gz ZHZUVYGXSPFORN-UHFFFAOYSA-N 0 0 301.354 0.841 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](CO)c1cccnc1 ZINC000490074465 272069587 /nfs/dbraw/zinc/06/95/87/272069587.db2.gz JDEKIVWGKFCLST-HUUCEWRRSA-N 0 0 305.378 0.675 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000494389689 272220386 /nfs/dbraw/zinc/22/03/86/272220386.db2.gz XHCJVTKDRHKYJH-CYBMUJFWSA-N 0 0 311.426 0.565 10 0 DCAERN CCCS(=O)(=O)CC(=O)Nc1ccc(OC)c(CO)c1 ZINC000494778647 272231198 /nfs/dbraw/zinc/23/11/98/272231198.db2.gz IGJDNOHQMXBAGE-UHFFFAOYSA-N 0 0 301.364 0.951 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CCOC ZINC000494877150 272233402 /nfs/dbraw/zinc/23/34/02/272233402.db2.gz JHCUACMAWQVEIZ-DCAQKATOSA-N 0 0 317.386 0.167 10 0 DCAERN CN(Cc1nnnn1C)Cc1c(Br)cnn1C ZINC000494999128 272236092 /nfs/dbraw/zinc/23/60/92/272236092.db2.gz RJSLRTUNKIYSIE-UHFFFAOYSA-N 0 0 300.164 0.338 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CC1CC1 ZINC000495197429 272240890 /nfs/dbraw/zinc/24/08/90/272240890.db2.gz XRPZOFMWOMMTNG-AXFHLTTASA-N 0 0 313.398 0.931 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](CC)COC ZINC000495179363 272241049 /nfs/dbraw/zinc/24/10/49/272241049.db2.gz BONNVCIYWDEAJK-DCAQKATOSA-N 0 0 317.386 0.167 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@H](C3CCOCC3)C2=O)[nH]n1 ZINC000514905714 272411736 /nfs/dbraw/zinc/41/17/36/272411736.db2.gz MIOGSXIJXVZZSA-GXFFZTMASA-N 0 0 306.366 0.996 10 0 DCAERN CCc1nc(CCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)no1 ZINC000525255286 272573585 /nfs/dbraw/zinc/57/35/85/272573585.db2.gz QUAQFONXMAAYDN-OAHLLOKOSA-N 0 0 321.381 0.486 10 0 DCAERN C[C@@H](CNC(=O)C1(C(=O)NC2CC2)CCC1)N1CCCCC1=O ZINC000527009235 272598407 /nfs/dbraw/zinc/59/84/07/272598407.db2.gz GQYHUNFNSNIRKS-LBPRGKRZSA-N 0 0 321.421 0.953 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000531610949 272765339 /nfs/dbraw/zinc/76/53/39/272765339.db2.gz NTZHXSOZJLRUPC-PWSUYJOCSA-N 0 0 318.443 0.355 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000531863734 272772329 /nfs/dbraw/zinc/77/23/29/272772329.db2.gz UCEBJIBRMYPCSX-QWHCGFSZSA-N 0 0 324.425 0.411 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000171262079 287895017 /nfs/dbraw/zinc/89/50/17/287895017.db2.gz BNGKFIHXJMWCQZ-LLVKDONJSA-N 0 0 317.345 0.327 10 0 DCAERN CC[C@H]1CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000294001019 276613393 /nfs/dbraw/zinc/61/33/93/276613393.db2.gz MDTMSLRBJIBPQU-VIFPVBQESA-N 0 0 302.334 0.257 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCS1(=O)=O ZINC000246915751 287923316 /nfs/dbraw/zinc/92/33/16/287923316.db2.gz FGRJXHAJOLEMOR-XQHKEYJVSA-N 0 0 316.423 0.773 10 0 DCAERN CC(C)CN1C[C@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000541755079 287925785 /nfs/dbraw/zinc/92/57/85/287925785.db2.gz IDIVQIOXJFVZDX-ZIAGYGMSSA-N 0 0 309.410 0.034 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328727271 276982083 /nfs/dbraw/zinc/98/20/83/276982083.db2.gz VASKARZXVPRSAI-GJZGRUSLSA-N 0 0 302.378 0.565 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccn(C)n2)[C@@]12CCCO2 ZINC000541842399 287928065 /nfs/dbraw/zinc/92/80/65/287928065.db2.gz KWUTXSFHMUNGAR-NFAWXSAZSA-N 0 0 308.382 0.946 10 0 DCAERN CN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)c2ccccc21 ZINC000081386936 277090098 /nfs/dbraw/zinc/09/00/98/277090098.db2.gz DOERZOQKCDLFLR-UHFFFAOYSA-N 0 0 316.361 0.800 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1=O ZINC000407986564 277162869 /nfs/dbraw/zinc/16/28/69/277162869.db2.gz UWXKFQMVOBPDGT-MNOVXSKESA-N 0 0 324.425 0.742 10 0 DCAERN CN1C[C@H](NC(=O)c2ccnc(N3CCCC3)n2)CCC1=O ZINC000265693107 277204327 /nfs/dbraw/zinc/20/43/27/277204327.db2.gz ANDCOBXGQAPMNM-LLVKDONJSA-N 0 0 303.366 0.427 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc3ncnn32)O1 ZINC000543421063 287957611 /nfs/dbraw/zinc/95/76/11/287957611.db2.gz TZQQBHFLWWRBNN-JQWIXIFHSA-N 0 0 317.349 0.095 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000177064264 277377954 /nfs/dbraw/zinc/37/79/54/277377954.db2.gz TUOYTZQRZRMCOS-INIZCTEOSA-N 0 0 315.329 0.948 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc3nccnc32)C1 ZINC000543690281 287962665 /nfs/dbraw/zinc/96/26/65/287962665.db2.gz DPQBYEDBYXILQA-SNVBAGLBSA-N 0 0 320.374 0.394 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000329825863 278008120 /nfs/dbraw/zinc/00/81/20/278008120.db2.gz CCAMERFEAQRVRE-TZMCWYRMSA-N 0 0 310.394 0.794 10 0 DCAERN CC(C)c1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)nn1C ZINC000328626720 278011991 /nfs/dbraw/zinc/01/19/91/278011991.db2.gz MABZFDJKFYNKNR-UHFFFAOYSA-N 0 0 315.377 0.836 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCSC[C@H](C)C2)C1 ZINC000408056038 278017934 /nfs/dbraw/zinc/01/79/34/278017934.db2.gz BZICBABPPDWLLG-RISCZKNCSA-N 0 0 300.424 0.571 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCSC[C@@H](C)C2)C1 ZINC000408056039 278031587 /nfs/dbraw/zinc/03/15/87/278031587.db2.gz BZICBABPPDWLLG-SMDDNHRTSA-N 0 0 300.424 0.571 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000545894986 288005101 /nfs/dbraw/zinc/00/51/01/288005101.db2.gz VIAALGSDNKXBPC-HZSPNIEDSA-N 0 0 321.439 0.052 10 0 DCAERN CC(C)c1nnc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)n1C ZINC000126689528 278099330 /nfs/dbraw/zinc/09/93/30/278099330.db2.gz GGXZLIYOGOVONL-QWRGUYRKSA-N 0 0 300.428 0.946 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524439 278240390 /nfs/dbraw/zinc/24/03/90/278240390.db2.gz TXJOLGDODMOHMA-YUTCNCBUSA-N 0 0 307.398 0.596 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)NCc1nnnn1CC1CC1 ZINC000546742826 288029996 /nfs/dbraw/zinc/02/99/96/288029996.db2.gz XCPXWFNESRNBHR-UHFFFAOYSA-N 0 0 304.358 0.755 10 0 DCAERN CC(C)(C)[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408264676 278549468 /nfs/dbraw/zinc/54/94/68/278549468.db2.gz GMTDGXNAWZEDPC-SNVBAGLBSA-N 0 0 311.382 0.590 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000547674983 288067453 /nfs/dbraw/zinc/06/74/53/288067453.db2.gz LYTGNPZMORDIKN-QWHCGFSZSA-N 0 0 319.409 0.898 10 0 DCAERN CC[C@H](O)CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000408450586 288096230 /nfs/dbraw/zinc/09/62/30/288096230.db2.gz FWHMSJBOIWWCPJ-WDEREUQCSA-N 0 0 318.464 0.624 10 0 DCAERN Cc1csc(NC(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1 ZINC000372736069 279043247 /nfs/dbraw/zinc/04/32/47/279043247.db2.gz GLQBJJKEUOPJRI-JBLDHEPKSA-N 0 0 308.407 0.976 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N1CCOCC1 ZINC000187064999 279158419 /nfs/dbraw/zinc/15/84/19/279158419.db2.gz AWNFKGUZILQZJF-KGLIPLIRSA-N 0 0 311.426 0.470 10 0 DCAERN COC(=O)C1(CSc2nnc(N3CCOCC3)n2C)CC1 ZINC000548091160 288110591 /nfs/dbraw/zinc/11/05/91/288110591.db2.gz AZGWALJDYBIRSX-UHFFFAOYSA-N 0 0 312.395 0.697 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246185833 279223009 /nfs/dbraw/zinc/22/30/09/279223009.db2.gz UUJJRSXSCMWHDA-IJLUTSLNSA-N 0 0 323.359 0.706 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000548719656 288170610 /nfs/dbraw/zinc/17/06/10/288170610.db2.gz DENMTOVKOGUUDP-ZQIUZPCESA-N 0 0 320.389 0.484 10 0 DCAERN C[C@H](O)[C@@H]1CCCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000548720685 288170617 /nfs/dbraw/zinc/17/06/17/288170617.db2.gz ICGAPPOKGCUJAH-ZENOOKHLSA-N 0 0 308.378 0.219 10 0 DCAERN Cn1cc(OCC(=O)N2CSC[C@H]2C(=O)N2CCCC2)cn1 ZINC000548795733 288176695 /nfs/dbraw/zinc/17/66/95/288176695.db2.gz IUAPWAYTJAAVFP-LBPRGKRZSA-N 0 0 324.406 0.323 10 0 DCAERN CN(CC(=O)OC(C)(C)C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000548909119 288186453 /nfs/dbraw/zinc/18/64/53/288186453.db2.gz UBFRUBPYTFBQIQ-STQMWFEESA-N 0 0 303.399 0.816 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCN(C)C1=O ZINC000549043787 288190324 /nfs/dbraw/zinc/19/03/24/288190324.db2.gz GPFQZQQXMBYRNJ-AAEUAGOBSA-N 0 0 305.382 0.718 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H]2CCCCN2C(C)=O)CC1 ZINC000408071603 280148407 /nfs/dbraw/zinc/14/84/07/280148407.db2.gz CLMZZLJZJBSAHH-LSDHHAIUSA-N 0 0 311.426 0.303 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000181281053 280205284 /nfs/dbraw/zinc/20/52/84/280205284.db2.gz XKJJSLSCEGZKRY-CYBMUJFWSA-N 0 0 322.413 0.463 10 0 DCAERN COC1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCOCC1 ZINC000550663868 288217754 /nfs/dbraw/zinc/21/77/54/288217754.db2.gz OFKQPOADFVJFHA-JTQLQIEISA-N 0 0 310.316 0.935 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCS1(=O)=O ZINC000121624754 288241235 /nfs/dbraw/zinc/24/12/35/288241235.db2.gz DNFVNIXNYNDTSM-SECBINFHSA-N 0 0 304.393 0.076 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885386 288240427 /nfs/dbraw/zinc/24/04/27/288240427.db2.gz SIDILOFRRMFPAD-STQMWFEESA-N 0 0 320.393 0.984 10 0 DCAERN CC1(C)C[S@](=O)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000551985877 288255149 /nfs/dbraw/zinc/25/51/49/288255149.db2.gz ORFHMHVGPFXSRR-VFGMZZLHSA-N 0 0 305.440 0.386 10 0 DCAERN CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000552744462 288279743 /nfs/dbraw/zinc/27/97/43/288279743.db2.gz YZBJRPGQERRTKS-GFCCVEGCSA-N 0 0 302.334 0.910 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000552779493 288280542 /nfs/dbraw/zinc/28/05/42/288280542.db2.gz DZNCHVJAKNAEQB-QWRGUYRKSA-N 0 0 302.334 0.957 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@]3(CCCOC3)C2)C1 ZINC000553020355 288284682 /nfs/dbraw/zinc/28/46/82/288284682.db2.gz VRSSHPWNUDGIOF-HOTGVXAUSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1ccc2c(c1O)N[C@H](O)[C@H]1CC(/C=C/C(N)=O)=CN1C2=O ZINC000011677306 281136350 /nfs/dbraw/zinc/13/63/50/281136350.db2.gz VGQOVCHZGQWAOI-VQZOTTGWSA-N 0 0 315.329 0.584 10 0 in-man DCAERN CCNC(=O)N1CC[C@H](NC(=O)CC(C)(C)C(=O)OCC)C1 ZINC000553975204 288311578 /nfs/dbraw/zinc/31/15/78/288311578.db2.gz NCGOPOWIIQNNBM-NSHDSACASA-N 0 0 313.398 0.886 10 0 DCAERN CCOCCCn1c(CC)nnc1N(C)Cc1nnnn1C ZINC000555309850 288348540 /nfs/dbraw/zinc/34/85/40/288348540.db2.gz DHEAQLJQAONODE-UHFFFAOYSA-N 0 0 308.390 0.427 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248814 281863496 /nfs/dbraw/zinc/86/34/96/281863496.db2.gz XETQWOFZAKYJQD-CXAGYDPISA-N 0 0 321.421 0.906 10 0 DCAERN Cn1nnc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)n1 ZINC000555919471 288365939 /nfs/dbraw/zinc/36/59/39/288365939.db2.gz JAYMWCFVJMBUOS-UHFFFAOYSA-N 0 0 301.310 0.269 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986806 288965060 /nfs/dbraw/zinc/96/50/60/288965060.db2.gz ZPUPWTMQIZGZMO-CZUORRHYSA-N 0 0 317.389 0.801 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2CCCN(C)C(=O)C2)CC1 ZINC000189799025 288975773 /nfs/dbraw/zinc/97/57/73/288975773.db2.gz BOYMJFOLAILOMZ-UHFFFAOYSA-N 0 0 310.398 0.071 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000408267417 289003137 /nfs/dbraw/zinc/00/31/37/289003137.db2.gz APIXZQXQWXGUNH-FRRDWIJNSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)O1 ZINC000330190493 289024598 /nfs/dbraw/zinc/02/45/98/289024598.db2.gz WDGAEGWVWHODLZ-VIRABCJISA-N 0 0 322.405 0.982 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)O1 ZINC000330190392 289024663 /nfs/dbraw/zinc/02/46/63/289024663.db2.gz WDGAEGWVWHODLZ-OSRDXIQISA-N 0 0 322.405 0.982 10 0 DCAERN C[C@@]1(O)CCN(C(=O)NC2CCN(c3ncccn3)CC2)C1 ZINC000188317652 289210484 /nfs/dbraw/zinc/21/04/84/289210484.db2.gz BKKPBBIPVQNZIY-OAHLLOKOSA-N 0 0 305.382 0.612 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293166 289710262 /nfs/dbraw/zinc/71/02/62/289710262.db2.gz CIOJFENOIJJJPN-MNOVXSKESA-N 0 0 314.407 0.684 10 0 DCAERN CN1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1=O ZINC000190239864 289927884 /nfs/dbraw/zinc/92/78/84/289927884.db2.gz KZELYNWONYSYSK-NSHDSACASA-N 0 0 310.398 0.260 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]21 ZINC000408021107 290079598 /nfs/dbraw/zinc/07/95/98/290079598.db2.gz GWARUGHWDDTQOY-NWDGAFQWSA-N 0 0 318.439 0.131 10 0 DCAERN CN1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1=O ZINC000293245022 290144051 /nfs/dbraw/zinc/14/40/51/290144051.db2.gz UIOXIOCVYLUTLF-LLVKDONJSA-N 0 0 301.346 0.877 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000378324905 290505002 /nfs/dbraw/zinc/50/50/02/290505002.db2.gz ZEOPYLAIOHCNBV-MRVPVSSYSA-N 0 0 311.367 0.002 10 0 DCAERN Cc1csc2c1ncnc2N1CCN2CCN(C)C(=O)[C@@H]2C1 ZINC000065526825 293068956 /nfs/dbraw/zinc/06/89/56/293068956.db2.gz NIMVYARNODVFAO-NSHDSACASA-N 0 0 317.418 0.962 10 0 DCAERN C[C@@H]1CN(CCN2C(=O)NC3(CCCC3)C2=O)CC[S@@]1=O ZINC000408222454 297000585 /nfs/dbraw/zinc/00/05/85/297000585.db2.gz CQUNFSLJWMFLKW-WSVYEEACSA-N 0 0 313.423 0.304 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@@H](C)O1 ZINC000154981079 297014031 /nfs/dbraw/zinc/01/40/31/297014031.db2.gz GNWPPUXILCOBDJ-UWPRPCKVSA-N 0 0 316.467 0.855 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000175884500 293501494 /nfs/dbraw/zinc/50/14/94/293501494.db2.gz WAKXSGDOILIQKV-RYUDHWBXSA-N 0 0 320.397 0.587 10 0 DCAERN Cc1noc([C@@H]2COCCN2CCn2c(C)csc2=O)n1 ZINC000185070383 293967355 /nfs/dbraw/zinc/96/73/55/293967355.db2.gz HKZLUMXRZNRGKY-NSHDSACASA-N 0 0 310.379 0.983 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000089781858 297051961 /nfs/dbraw/zinc/05/19/61/297051961.db2.gz XTDQGEYJKDXFTQ-NQBHXWOUSA-N 0 0 304.412 0.451 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)C1(C)C ZINC000371983256 294015845 /nfs/dbraw/zinc/01/58/45/294015845.db2.gz FXAYFSIGEVKHBW-ZOBORPQBSA-N 0 0 311.426 0.772 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)C[C@@H](C)O1 ZINC000329503506 297068595 /nfs/dbraw/zinc/06/85/95/297068595.db2.gz AQOFTGAXOHEOKN-NXEZZACHSA-N 0 0 301.368 0.464 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[S@@]1=O ZINC000408225825 297074956 /nfs/dbraw/zinc/07/49/56/297074956.db2.gz XKQKJANWZUAEOC-FKQSZABXSA-N 0 0 310.423 0.368 10 0 DCAERN NC(=O)[C@@H]1CC(C(=O)N[C@H]2CCCOC2)=NN1c1ccccc1 ZINC000171686529 295100920 /nfs/dbraw/zinc/10/09/20/295100920.db2.gz LZNMVNJBAUXIQA-FZMZJTMJSA-N 0 0 316.361 0.402 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000091780892 295120321 /nfs/dbraw/zinc/12/03/21/295120321.db2.gz QVLYAIMLDDRMIB-QMMMGPOBSA-N 0 0 303.240 0.427 10 0 DCAERN COc1cccc(CNC(=O)CS(=O)(=O)C(C)(C)C)n1 ZINC000120166130 295298671 /nfs/dbraw/zinc/29/86/71/295298671.db2.gz QBKZIUPQBFLNJY-UHFFFAOYSA-N 0 0 300.380 0.920 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csnn1 ZINC000408278215 295537061 /nfs/dbraw/zinc/53/70/61/295537061.db2.gz UQXYZIIYDDTMII-YUMQZZPRSA-N 0 0 304.397 0.128 10 0 DCAERN O=C(N1CCO[C@H](c2nccs2)C1)[C@@]1(O)CCSC1 ZINC000271022310 295576139 /nfs/dbraw/zinc/57/61/39/295576139.db2.gz UZVMKBVXKDRKNK-JOYOIKCWSA-N 0 0 300.405 0.911 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000329432674 297809064 /nfs/dbraw/zinc/80/90/64/297809064.db2.gz KYOXZCRNBBEYBA-HZSPNIEDSA-N 0 0 318.439 0.148 10 0 DCAERN Cc1c(C(=O)N2CC[C@H](O)[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000408378988 300930509 /nfs/dbraw/zinc/93/05/09/300930509.db2.gz YCPMNCIAQBOAMS-CABZTGNLSA-N 0 0 312.391 0.485 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)oc2c1C(=O)CCC2 ZINC000178519547 300940411 /nfs/dbraw/zinc/94/04/11/300940411.db2.gz BHQXJWRCKPRNAD-MRVPVSSYSA-N 0 0 304.302 0.642 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@H](C)NC(N)=O ZINC000183736689 301323942 /nfs/dbraw/zinc/32/39/42/301323942.db2.gz MQQIFTKWZVILDZ-CABZTGNLSA-N 0 0 322.340 0.190 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccn(C)c1=O ZINC000408406507 302673954 /nfs/dbraw/zinc/67/39/54/302673954.db2.gz UJQUFXHMFSDKTF-JTQLQIEISA-N 0 0 302.338 0.942 10 0 DCAERN Cn1cc(NC(=O)N2CCC[C@H]2CN2CCOCC2)ccc1=O ZINC000173266338 302915657 /nfs/dbraw/zinc/91/56/57/302915657.db2.gz AYUUYEPOZZJHHK-AWEZNQCLSA-N 0 0 320.393 0.714 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329080647 303227946 /nfs/dbraw/zinc/22/79/46/303227946.db2.gz CSQKZNSGGHVNOM-RWMBFGLXSA-N 0 0 311.382 0.392 10 0 DCAERN CCCC(=O)NCC(=O)NCCN1c2ccccc2CC1=O ZINC000170634003 332860890 /nfs/dbraw/zinc/86/08/90/332860890.db2.gz VKNAIKFWIACIBD-UHFFFAOYSA-N 0 0 303.362 0.608 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332785542 332870665 /nfs/dbraw/zinc/87/06/65/332870665.db2.gz RCMPXEBXVWSYTP-KIJLLGNVSA-N 0 0 323.397 0.577 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000332794184 332872642 /nfs/dbraw/zinc/87/26/42/332872642.db2.gz ORIUYANLFLIZPE-YIYPIFLZSA-N 0 0 324.425 0.855 10 0 DCAERN COCC1=CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000186762324 332944232 /nfs/dbraw/zinc/94/42/32/332944232.db2.gz JPDGHIJWAJNUTP-VXGBXAGGSA-N 0 0 304.412 0.619 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NS(=O)(=O)CC3CC3)[C@H]2C1 ZINC000570239800 332730004 /nfs/dbraw/zinc/73/00/04/332730004.db2.gz GPOZBOBILZUJON-MELADBBJSA-N 0 0 300.424 0.963 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000580258288 333042552 /nfs/dbraw/zinc/04/25/52/333042552.db2.gz WFCYGMXMPVXVFO-ZDUSSCGKSA-N 0 0 321.421 0.511 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000180718148 333164429 /nfs/dbraw/zinc/16/44/29/333164429.db2.gz IBONVPASAAFCQL-LBPRGKRZSA-N 0 0 318.439 0.573 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000387932004 333185826 /nfs/dbraw/zinc/18/58/26/333185826.db2.gz CWMLKWAQFVWMMR-OUAUKWLOSA-N 0 0 305.396 0.361 10 0 DCAERN CC(C)CN1CCO[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000189987461 336258420 /nfs/dbraw/zinc/25/84/20/336258420.db2.gz UKGAHKDEDRSSAE-MCIONIFRSA-N 0 0 320.455 0.440 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000582853935 337210709 /nfs/dbraw/zinc/21/07/09/337210709.db2.gz PFUKNPNVJSADKT-LLVKDONJSA-N 0 0 311.426 0.912 10 0 DCAERN C[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584508391 337351478 /nfs/dbraw/zinc/35/14/78/337351478.db2.gz LQPRQWMPJAJGAL-HNNXBMFYSA-N 0 0 302.334 0.646 10 0 DCAERN CNC(=O)C1CN(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000577256297 341900605 /nfs/dbraw/zinc/90/06/05/341900605.db2.gz DIPPGFAMKWHJMD-UHFFFAOYSA-N 0 0 314.345 0.748 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCCNC3=O)ccc2O1 ZINC000295871904 534062929 /nfs/dbraw/zinc/06/29/29/534062929.db2.gz YXUBIRYPTFZNDZ-SKDRFNHKSA-N 0 0 310.375 0.567 10 0 DCAERN COC(=O)c1ccc(N2CCN([C@H](C)C(N)=O)CC2)nc1C ZINC000301972694 534189446 /nfs/dbraw/zinc/18/94/46/534189446.db2.gz UHAFJWOZGGTKKL-LLVKDONJSA-N 0 0 306.366 0.172 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)O1 ZINC000177934158 534207043 /nfs/dbraw/zinc/20/70/43/534207043.db2.gz ZOKRCRRJACZPPB-TZMCWYRMSA-N 0 0 310.394 0.651 10 0 DCAERN Cc1cccnc1CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000192854630 518191195 /nfs/dbraw/zinc/19/11/95/518191195.db2.gz GWAVPQIXTNPVBP-LLVKDONJSA-N 0 0 312.395 0.223 10 0 DCAERN CC(=O)c1ccccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000266896189 518464720 /nfs/dbraw/zinc/46/47/20/518464720.db2.gz OBJDODRLQFGVFT-NSHDSACASA-N 0 0 310.375 0.653 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127822196 518572027 /nfs/dbraw/zinc/57/20/27/518572027.db2.gz NITWCLBAAYHZPF-LBPRGKRZSA-N 0 0 307.398 0.679 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000267547598 519533143 /nfs/dbraw/zinc/53/31/43/519533143.db2.gz AOGRSUQSJLMLOY-HIFRSBDPSA-N 0 0 320.393 0.579 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)C1 ZINC000191344406 519647302 /nfs/dbraw/zinc/64/73/02/519647302.db2.gz TULGAZVPONQSTG-UHFFFAOYSA-N 0 0 318.377 0.346 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000188779360 519754596 /nfs/dbraw/zinc/75/45/96/519754596.db2.gz SADHSKXWCKWTTC-GFCCVEGCSA-N 0 0 306.366 0.903 10 0 DCAERN CC(C)OC[C@H](O)Cn1cnc2c1ncnc2N1CCOCC1 ZINC000157590438 519774298 /nfs/dbraw/zinc/77/42/98/519774298.db2.gz KRKJOIXQJMHICW-GFCCVEGCSA-N 0 0 321.381 0.449 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC(=O)N(C)C1)C2 ZINC000267505441 519869147 /nfs/dbraw/zinc/86/91/47/519869147.db2.gz OGGISCJQPBJDPJ-LLVKDONJSA-N 0 0 319.409 0.842 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)C(N)=O)CC2 ZINC000156959884 519871579 /nfs/dbraw/zinc/87/15/79/519871579.db2.gz SRRSCLKOLUTXFP-JTQLQIEISA-N 0 0 322.413 0.527 10 0 DCAERN CCOCCN1CCN(C(=O)CN2CCCCC2=O)C[C@H]1C ZINC000117274831 519913017 /nfs/dbraw/zinc/91/30/17/519913017.db2.gz JALBPPAZFMWROZ-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000172447831 534456410 /nfs/dbraw/zinc/45/64/10/534456410.db2.gz UQQDJQNPTLCDNG-QWHCGFSZSA-N 0 0 309.410 0.939 10 0 DCAERN CC1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCC1 ZINC000267361335 520217924 /nfs/dbraw/zinc/21/79/24/520217924.db2.gz HBVMNAYIFYVDOZ-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCN(c2cccnn2)CC1 ZINC000130536868 520446512 /nfs/dbraw/zinc/44/65/12/520446512.db2.gz DBKKNXCKANPSML-UHFFFAOYSA-N 0 0 319.409 0.774 10 0 DCAERN CCCCN(CCCO)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187539979 520505538 /nfs/dbraw/zinc/50/55/38/520505538.db2.gz XPQQLZKLTQDLFM-UHFFFAOYSA-N 0 0 304.350 0.943 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CCN(C4CC4)CC3)c(=O)n2c1 ZINC000299343826 534511300 /nfs/dbraw/zinc/51/13/00/534511300.db2.gz KVRKBVXYAIAJGB-UHFFFAOYSA-N 0 0 312.373 0.923 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000267538245 520777349 /nfs/dbraw/zinc/77/73/49/520777349.db2.gz OGGMCGBUELVWII-LBPRGKRZSA-N 0 0 302.400 0.380 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245732162 520812995 /nfs/dbraw/zinc/81/29/95/520812995.db2.gz JOHQZJNPHJLELS-RBSFLKMASA-N 0 0 323.437 0.757 10 0 DCAERN CCOc1ccc(CNC(=O)CNS(=O)(=O)CC)cc1F ZINC000130878553 520985510 /nfs/dbraw/zinc/98/55/10/520985510.db2.gz DQWARLLFSIDWPY-UHFFFAOYSA-N 0 0 318.370 0.780 10 0 DCAERN CCCc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)n2ncnc2n1 ZINC000116872834 521368650 /nfs/dbraw/zinc/36/86/50/521368650.db2.gz UIBUMRTYHUKUIH-LLVKDONJSA-N 0 0 324.410 0.205 10 0 DCAERN CCOc1ccnc(N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189197241 521596786 /nfs/dbraw/zinc/59/67/86/521596786.db2.gz PCQPHQXSKBNQQT-NSHDSACASA-N 0 0 318.385 0.282 10 0 DCAERN CCCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)c1C ZINC000157557535 521665211 /nfs/dbraw/zinc/66/52/11/521665211.db2.gz UJRIVTIUYGNFHD-SKDRFNHKSA-N 0 0 308.382 0.625 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000190641748 521748390 /nfs/dbraw/zinc/74/83/90/521748390.db2.gz VSEZKEQNKDFDCC-SECBINFHSA-N 0 0 324.406 0.942 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C(N)=O ZINC000253609692 521853164 /nfs/dbraw/zinc/85/31/64/521853164.db2.gz RTQNDIDFVOEZHG-DMDPSCGWSA-N 0 0 305.378 0.821 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)OC)cc1 ZINC000188530468 521859268 /nfs/dbraw/zinc/85/92/68/521859268.db2.gz UQYKBQCVAQZWFB-VHSXEESVSA-N 0 0 300.380 0.748 10 0 DCAERN CCc1ccccc1S(=O)(=O)N1CC(NC(=O)COC)C1 ZINC000187813518 521927064 /nfs/dbraw/zinc/92/70/64/521927064.db2.gz YYDVKGWLRTUEDY-UHFFFAOYSA-N 0 0 312.391 0.385 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189402180 521948624 /nfs/dbraw/zinc/94/86/24/521948624.db2.gz FYBRYJJJVNXCLV-UHFFFAOYSA-N 0 0 302.330 0.824 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](OC)C2)C1 ZINC000364988952 522231578 /nfs/dbraw/zinc/23/15/78/522231578.db2.gz XOSFHSVJMROPCZ-IJLUTSLNSA-N 0 0 319.427 0.277 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H](C)CO ZINC000158836332 522291087 /nfs/dbraw/zinc/29/10/87/522291087.db2.gz HEHQABDKGPINMW-UWVGGRQHSA-N 0 0 301.364 0.768 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000189347236 522648564 /nfs/dbraw/zinc/64/85/64/522648564.db2.gz FKBZVVHYTGIYRU-YGRLFVJLSA-N 0 0 322.409 0.189 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H](c2ccco2)N(C)C)C1 ZINC000188174654 522758666 /nfs/dbraw/zinc/75/86/66/522758666.db2.gz ILRGANVXYLTKQN-GFCCVEGCSA-N 0 0 324.381 0.039 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(C)cc2C)C1 ZINC000188449325 522759538 /nfs/dbraw/zinc/75/95/38/522759538.db2.gz FHGRHMMZNCFTHW-UHFFFAOYSA-N 0 0 305.378 0.960 10 0 DCAERN COCCCN(CCO)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000189041656 523244588 /nfs/dbraw/zinc/24/45/88/523244588.db2.gz SYZSLDCNPZFLFM-UHFFFAOYSA-N 0 0 322.365 0.699 10 0 DCAERN COC(=O)C[C@@H](NC(=O)C1CN(C(C)=O)C1)c1ccccc1 ZINC000188250410 523271373 /nfs/dbraw/zinc/27/13/73/523271373.db2.gz UTIWPFIIADVPNN-CQSZACIVSA-N 0 0 304.346 0.885 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000368464772 523618756 /nfs/dbraw/zinc/61/87/56/523618756.db2.gz HXGVCXXTOJGEPK-NFFDBFGFSA-N 0 0 309.410 0.942 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@H](O)C2)[C@H]1c1ccccc1 ZINC000365199693 523692604 /nfs/dbraw/zinc/69/26/04/523692604.db2.gz UMARJTGQIPZUPX-CFVMTHIKSA-N 0 0 304.346 0.178 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000365041524 523708436 /nfs/dbraw/zinc/70/84/36/523708436.db2.gz RNUHUOMAMAIEGZ-JHJVBQTASA-N 0 0 313.398 0.158 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163711793 523799887 /nfs/dbraw/zinc/79/98/87/523799887.db2.gz GUBJCZCRWLHFSG-VXGBXAGGSA-N 0 0 314.345 0.940 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060120 523863979 /nfs/dbraw/zinc/86/39/79/523863979.db2.gz SNWVEYORZIMGRB-SSDOTTSWSA-N 0 0 309.775 0.503 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000192766634 523904227 /nfs/dbraw/zinc/90/42/27/523904227.db2.gz FHKXZVWAOHULIV-ZYHUDNBSSA-N 0 0 308.309 0.335 10 0 DCAERN COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000266275226 523952198 /nfs/dbraw/zinc/95/21/98/523952198.db2.gz SACSWKPVQPYTPH-STQMWFEESA-N 0 0 320.393 0.827 10 0 DCAERN CN(C)C(=O)CC(=O)Nc1c[nH]cc(Br)c1=O ZINC000129659529 523972341 /nfs/dbraw/zinc/97/23/41/523972341.db2.gz LWWMLIVIBYNHKG-UHFFFAOYSA-N 0 0 302.128 0.967 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000154286518 523989022 /nfs/dbraw/zinc/98/90/22/523989022.db2.gz VNKMRAYOPJSOND-SNVBAGLBSA-N 0 0 324.406 0.054 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)nn1 ZINC000163260180 523998894 /nfs/dbraw/zinc/99/88/94/523998894.db2.gz VLTARMVVVLLPOH-AAEUAGOBSA-N 0 0 321.381 0.007 10 0 DCAERN COc1ccc(CNC(=O)CN(CCO)CC(F)F)cc1 ZINC000193416164 524049370 /nfs/dbraw/zinc/04/93/70/524049370.db2.gz KXPUDZXMWCCCHT-UHFFFAOYSA-N 0 0 302.321 0.871 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154125412 524165563 /nfs/dbraw/zinc/16/55/63/524165563.db2.gz QLICWMHVYGPNQD-OAHLLOKOSA-N 0 0 322.405 0.492 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000163642080 534764378 /nfs/dbraw/zinc/76/43/78/534764378.db2.gz RBRMLCAQLTXIEV-ONGXEEELSA-N 0 0 304.350 0.441 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC000156953441 524569845 /nfs/dbraw/zinc/56/98/45/524569845.db2.gz PUCVIEIIVPSBFB-WDEREUQCSA-N 0 0 306.366 0.447 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCN(CCO)CC1)c1ccccc1 ZINC000149455952 524596972 /nfs/dbraw/zinc/59/69/72/524596972.db2.gz JUMZPEQZCHBTMO-CQSZACIVSA-N 0 0 312.435 0.730 10 0 DCAERN C[C@@H](CN1CCNC(=O)[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000119318319 524620271 /nfs/dbraw/zinc/62/02/71/524620271.db2.gz CSMLISYYEFHKFB-JSGCOSHPSA-N 0 0 310.419 0.840 10 0 DCAERN C[C@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCS1(=O)=O ZINC000247171039 524664874 /nfs/dbraw/zinc/66/48/74/524664874.db2.gz UCJKXGFNUZXFHA-GXTWGEPZSA-N 0 0 310.419 0.935 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@H](C(N)=O)O1 ZINC000157422439 524852421 /nfs/dbraw/zinc/85/24/21/524852421.db2.gz MCBKJBMEKBRKQD-NOZJJQNGSA-N 0 0 316.317 0.451 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000185006024 524880736 /nfs/dbraw/zinc/88/07/36/524880736.db2.gz PIVFEDFURUCPRT-LXGOIASLSA-N 0 0 302.371 0.884 10 0 DCAERN C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCS1(=O)=O ZINC000185007822 524981875 /nfs/dbraw/zinc/98/18/75/524981875.db2.gz CQMFRVZXEHCNSQ-SNVBAGLBSA-N 0 0 310.379 0.694 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000158186892 524983716 /nfs/dbraw/zinc/98/37/16/524983716.db2.gz OZSITUKXVJYQDH-UHFFFAOYSA-N 0 0 310.335 0.610 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000188335530 525014499 /nfs/dbraw/zinc/01/44/99/525014499.db2.gz YOSMYYUZBHHNNM-RISCZKNCSA-N 0 0 306.362 0.982 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCCO[C@@H]3C)C2=O)n(C)n1 ZINC000188366318 525092914 /nfs/dbraw/zinc/09/29/14/525092914.db2.gz POBGNWUALZHSFL-AGIUHOORSA-N 0 0 320.393 0.765 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000366394987 525096965 /nfs/dbraw/zinc/09/69/65/525096965.db2.gz UBMYMUBDFFYQGD-LBPRGKRZSA-N 0 0 322.386 0.485 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121970078 525355794 /nfs/dbraw/zinc/35/57/94/525355794.db2.gz OTDOLCGNEPBZTL-VHSXEESVSA-N 0 0 314.363 0.043 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C)s1 ZINC000131461613 525410591 /nfs/dbraw/zinc/41/05/91/525410591.db2.gz OEPKWJSSSFMRNO-VHSXEESVSA-N 0 0 318.420 0.676 10 0 DCAERN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000162554489 525630182 /nfs/dbraw/zinc/63/01/82/525630182.db2.gz QDBZXSOOXJRLJU-RYUDHWBXSA-N 0 0 304.389 0.235 10 0 DCAERN CSCc1noc(CCC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189407472 525769087 /nfs/dbraw/zinc/76/90/87/525769087.db2.gz TXUURFSFDAARDM-UHFFFAOYSA-N 0 0 324.406 0.602 10 0 DCAERN COc1cccc(CO[C@@H](C)C(=O)N2CC(NC(C)=O)C2)c1 ZINC000190486251 526055607 /nfs/dbraw/zinc/05/56/07/526055607.db2.gz SVOIIOMFCZKFND-NSHDSACASA-N 0 0 306.362 0.947 10 0 DCAERN C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136306 526185963 /nfs/dbraw/zinc/18/59/63/526185963.db2.gz IMXSDROBYTWUPI-NWDGAFQWSA-N 0 0 302.386 0.662 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)c1 ZINC000163826047 526267956 /nfs/dbraw/zinc/26/79/56/526267956.db2.gz BCAOKWZUXOAHDE-STQMWFEESA-N 0 0 305.382 0.769 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000113193263 526297684 /nfs/dbraw/zinc/29/76/84/526297684.db2.gz FQEGSZUOQOPYOB-ZJUUUORDSA-N 0 0 323.299 0.736 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCC2(C)CCC2)CC1 ZINC000176622095 526607761 /nfs/dbraw/zinc/60/77/61/526607761.db2.gz DUBANGLNDFYXJT-UHFFFAOYSA-N 0 0 324.425 0.557 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n1 ZINC000120432647 526609283 /nfs/dbraw/zinc/60/92/83/526609283.db2.gz JFGBJVUVHQANAK-SNVBAGLBSA-N 0 0 318.399 0.001 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000176890279 526659259 /nfs/dbraw/zinc/65/92/59/526659259.db2.gz NYNDHYJPMXRGRO-UONOGXRCSA-N 0 0 319.409 0.374 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CCO[C@H](CO)C1 ZINC000167908436 526663038 /nfs/dbraw/zinc/66/30/38/526663038.db2.gz HNYSQGGLOQDDPE-VIFPVBQESA-N 0 0 301.140 0.677 10 0 DCAERN O=C(c1cccc(OCC(F)(F)F)n1)N1CCNC(=O)CC1 ZINC000121128447 526775161 /nfs/dbraw/zinc/77/51/61/526775161.db2.gz MWHREYQMOSBHGZ-UHFFFAOYSA-N 0 0 317.267 0.985 10 0 DCAERN NC(=O)CSCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187668496 526899012 /nfs/dbraw/zinc/89/90/12/526899012.db2.gz GDLHJVOFFXRPNM-QWRGUYRKSA-N 0 0 314.432 0.501 10 0 DCAERN NC(=O)C[C@H](N)C(=O)Nc1ccc(F)c(Br)c1 ZINC000158244368 526906424 /nfs/dbraw/zinc/90/64/24/526906424.db2.gz MQKMGSOLCLYWTK-QMMMGPOBSA-N 0 0 304.119 0.729 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)Nc3ccncn3)CC2)cn1 ZINC000190698123 527200317 /nfs/dbraw/zinc/20/03/17/527200317.db2.gz WLQLNIXQFOJFNU-UHFFFAOYSA-N 0 0 315.381 0.950 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000163401186 527218501 /nfs/dbraw/zinc/21/85/01/527218501.db2.gz UPECMWYJTWGRNH-GFCCVEGCSA-N 0 0 306.341 0.856 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CN3CCCCC3=O)C2)cn1 ZINC000154453439 527244933 /nfs/dbraw/zinc/24/49/33/527244933.db2.gz KUUXFDBWIFYVEP-ZDUSSCGKSA-N 0 0 319.409 0.518 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)c3ccc(=O)n(C)c3)CCO2)cn1 ZINC000127363071 527311059 /nfs/dbraw/zinc/31/10/59/527311059.db2.gz JJTLRHUHLVUZIJ-MRXNPFEDSA-N 0 0 316.361 0.507 10 0 DCAERN Cn1cc([C@]2(C)NC(=O)N(C[C@@H](O)C(F)(F)F)C2=O)cn1 ZINC000158334778 527326462 /nfs/dbraw/zinc/32/64/62/527326462.db2.gz GTPSCACMHSVONJ-XCBNKYQSSA-N 0 0 306.244 0.110 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCO[C@@H]3C)cc12 ZINC000121459840 527687307 /nfs/dbraw/zinc/68/73/07/527687307.db2.gz RZJYWVFLLCXNAD-SKDRFNHKSA-N 0 0 310.379 0.732 10 0 DCAERN CCN(C1CCN(C(=O)C(C)(C)OC)CC1)S(C)(=O)=O ZINC000170999526 527874593 /nfs/dbraw/zinc/87/45/93/527874593.db2.gz UFLDINKEDTYUPN-UHFFFAOYSA-N 0 0 306.428 0.684 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178921602 528017772 /nfs/dbraw/zinc/01/77/72/528017772.db2.gz LBHOPRAZUJTFSZ-JTQLQIEISA-N 0 0 300.403 0.219 10 0 DCAERN CC(C)CNC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176566018 528053363 /nfs/dbraw/zinc/05/33/63/528053363.db2.gz BBRNBXFQRWZSOC-SBKAZYGRSA-N 0 0 301.416 0.663 10 0 DCAERN CC(C)Oc1nccnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000302041826 528288358 /nfs/dbraw/zinc/28/83/58/528288358.db2.gz RTVZKPTYFILAGY-UHFFFAOYSA-N 0 0 316.365 0.851 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177527628 528314379 /nfs/dbraw/zinc/31/43/79/528314379.db2.gz KGVSENXSPCICSF-NWDGAFQWSA-N 0 0 305.382 0.878 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000163721501 528362202 /nfs/dbraw/zinc/36/22/02/528362202.db2.gz NMPVWCDLYGFSCD-JOYOIKCWSA-N 0 0 308.300 0.771 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)N2CCSCC2)C1 ZINC000151893132 528418325 /nfs/dbraw/zinc/41/83/25/528418325.db2.gz VFHCUJDIDRIZOO-OLZOCXBDSA-N 0 0 313.467 0.941 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000178053786 528811390 /nfs/dbraw/zinc/81/13/90/528811390.db2.gz IAFFBXIPLPWWRJ-DGCLKSJQSA-N 0 0 318.439 0.874 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CC(=O)NC(C)C ZINC000178791516 528886193 /nfs/dbraw/zinc/88/61/93/528886193.db2.gz OYEYURDUTHHPLN-UHFFFAOYSA-N 0 0 309.370 0.215 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000186481338 528891255 /nfs/dbraw/zinc/89/12/55/528891255.db2.gz WEOJIJBSHKSXFC-NWDGAFQWSA-N 0 0 308.382 0.899 10 0 DCAERN CC1(C)CCC[C@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000176614127 528990921 /nfs/dbraw/zinc/99/09/21/528990921.db2.gz DFIMETSTGQLTFX-GHMZBOCLSA-N 0 0 303.428 0.898 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)C(=O)N1CCOCC1 ZINC000189107188 529104189 /nfs/dbraw/zinc/10/41/89/529104189.db2.gz JTSHKQUESYASTL-MCIONIFRSA-N 0 0 312.410 0.801 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)[C@H](C)COC)CCN1CCOC ZINC000246712940 529299937 /nfs/dbraw/zinc/29/99/37/529299937.db2.gz NFOCWNNJPNLGBL-OLZOCXBDSA-N 0 0 308.444 0.394 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000299739876 529338607 /nfs/dbraw/zinc/33/86/07/529338607.db2.gz SPEOEGWLTVOXOC-IJLUTSLNSA-N 0 0 321.381 0.498 10 0 DCAERN CC(C)(O)C1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000275763875 535275984 /nfs/dbraw/zinc/27/59/84/535275984.db2.gz SDOXGVJKPNOYFU-CYBMUJFWSA-N 0 0 319.409 0.858 10 0 DCAERN CCOc1cncc(N2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000489931628 535563553 /nfs/dbraw/zinc/56/35/53/535563553.db2.gz DVYZHUJGZYLZKK-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000284625669 536088188 /nfs/dbraw/zinc/08/81/88/536088188.db2.gz PPQBGDHBPRCVHU-QJPTWQEYSA-N 0 0 319.409 0.673 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000120338213 536358688 /nfs/dbraw/zinc/35/86/88/536358688.db2.gz CWBXKRFAMPDXAP-LBPRGKRZSA-N 0 0 316.423 0.471 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[S@](=O)C2)c1 ZINC000441196508 536602254 /nfs/dbraw/zinc/60/22/54/536602254.db2.gz JSVINGPWUGCXII-ZEDNOMKYSA-N 0 0 314.338 0.410 10 0 DCAERN COCc1cccc(CC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)c1 ZINC000284782288 536799548 /nfs/dbraw/zinc/79/95/48/536799548.db2.gz IDYADGRKHQQYCK-KBPBESRZSA-N 0 0 306.362 0.477 10 0 DCAERN C[C@@]([NH3+])(CCCn1cc(I)cn1)C(N)=O ZINC000070678714 545660621 /nfs/dbraw/zinc/66/06/21/545660621.db2.gz WIRYXZHWDGTFPC-SECBINFHSA-N 0 0 322.150 0.471 10 0 DCAERN O=c1nc(Cn2cc(C[NH2+]C3CC3)nn2)[n-]c2ccsc21 ZINC000090297670 545715344 /nfs/dbraw/zinc/71/53/44/545715344.db2.gz OLOPEMDVWJCDDE-UHFFFAOYSA-N 0 0 302.363 0.876 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cscn2)O1 ZINC000091630616 545718494 /nfs/dbraw/zinc/71/84/94/545718494.db2.gz AHOGGOZDXYXTAW-WDEREUQCSA-N 0 0 312.395 0.578 10 0 DCAERN COCc1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 ZINC000097286405 545729058 /nfs/dbraw/zinc/72/90/58/545729058.db2.gz LIOOFBSYFZFBRZ-JTQLQIEISA-N 0 0 316.379 0.580 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N[C@H]1CCc2ncnn2C1 ZINC000120587174 545743682 /nfs/dbraw/zinc/74/36/82/545743682.db2.gz FMLLGOJDIXGFLS-WDEREUQCSA-N 0 0 300.384 0.081 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC000126918292 545773076 /nfs/dbraw/zinc/77/30/76/545773076.db2.gz RPKZYDGPARXYEK-UHFFFAOYSA-N 0 0 303.318 0.340 10 0 DCAERN O=C(CC[C@@H]1CCCCO1)NC[C@@H](O)CN1CCOCC1 ZINC000132359226 545793154 /nfs/dbraw/zinc/79/31/54/545793154.db2.gz RQRYIAWGVAAIND-KGLIPLIRSA-N 0 0 300.399 0.145 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000157097470 545849607 /nfs/dbraw/zinc/84/96/07/545849607.db2.gz QHVYEYQUZAUMPJ-MFKMUULPSA-N 0 0 312.391 0.560 10 0 DCAERN CN(C)c1nc(CN2CCC[C@@H](NS(C)(=O)=O)C2)ns1 ZINC000163728593 545873894 /nfs/dbraw/zinc/87/38/94/545873894.db2.gz VGULMONMDDFCMZ-SECBINFHSA-N 0 0 319.456 0.118 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(CCO)Cc2ccccc2)C[C@@H](C)O1 ZINC000170331939 545880747 /nfs/dbraw/zinc/88/07/47/545880747.db2.gz NJSGFHSILAHVEP-ZIAGYGMSSA-N 0 0 320.389 0.643 10 0 DCAERN COCCN1CCN(Cc2nnc(C3CCC3)n2C)CC1=O ZINC000181534445 545903330 /nfs/dbraw/zinc/90/33/30/545903330.db2.gz HQYYOYCUQCYNOB-UHFFFAOYSA-N 0 0 307.398 0.373 10 0 DCAERN COc1cc(CCNC(=O)NCCCn2ccnn2)ccc1O ZINC000181767104 545904556 /nfs/dbraw/zinc/90/45/56/545904556.db2.gz ZINLPQJDLDIJCK-UHFFFAOYSA-N 0 0 319.365 0.924 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)C(=O)N1CCCC[C@H]1C ZINC000182411028 545904895 /nfs/dbraw/zinc/90/48/95/545904895.db2.gz CHXANMWRPKBZPQ-OLZOCXBDSA-N 0 0 322.413 0.757 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000182403121 545905222 /nfs/dbraw/zinc/90/52/22/545905222.db2.gz GTDNGIMRMMBDPR-UONOGXRCSA-N 0 0 320.455 0.274 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000186317407 545913851 /nfs/dbraw/zinc/91/38/51/545913851.db2.gz HXHWPUDKXWVCDL-UHFFFAOYSA-N 0 0 306.297 0.289 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CC[C@H]2CCCO2)C1)C1CCC1 ZINC000186185691 545913923 /nfs/dbraw/zinc/91/39/23/545913923.db2.gz PBLBTMISDIJTMB-CYBMUJFWSA-N 0 0 316.423 0.486 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000189185130 545920251 /nfs/dbraw/zinc/92/02/51/545920251.db2.gz FKBGYOCQAATTAB-APPZFPTMSA-N 0 0 307.803 0.631 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)c1ccn(C)c1C)CC2 ZINC000192521532 545927849 /nfs/dbraw/zinc/92/78/49/545927849.db2.gz HXCXXXJWRMBHDE-NSHDSACASA-N 0 0 303.366 0.816 10 0 DCAERN Cc1c(C(=O)NCCNS(=O)(=O)c2cccnc2)ccn1C ZINC000192547247 545927948 /nfs/dbraw/zinc/92/79/48/545927948.db2.gz DVNHZESUYXGZPW-UHFFFAOYSA-N 0 0 322.390 0.437 10 0 DCAERN Cn1cc(NC(=O)c2coc(C3CCC3)n2)c(=O)n(C)c1=O ZINC000194406937 545933323 /nfs/dbraw/zinc/93/33/23/545933323.db2.gz GQYKGDOKKOKEMF-UHFFFAOYSA-N 0 0 304.306 0.592 10 0 DCAERN COc1nc(NC[C@@H]2COCC[NH2+]2)ncc1Br ZINC000235041588 545950053 /nfs/dbraw/zinc/95/00/53/545950053.db2.gz PMECOCYIGZYVOZ-SSDOTTSWSA-N 0 0 303.160 0.648 10 0 DCAERN CC[C@@]1(C)CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994310 545970046 /nfs/dbraw/zinc/97/00/46/545970046.db2.gz XSJVFBODXLEUAS-WBMJQRKESA-N 0 0 311.426 0.613 10 0 DCAERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCC[C@@H]1O ZINC000332878673 546064265 /nfs/dbraw/zinc/06/42/65/546064265.db2.gz MGBLBGGDKNHJNF-TUAOUCFPSA-N 0 0 304.412 0.414 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2CCOCC2)nn1 ZINC000332897496 546065191 /nfs/dbraw/zinc/06/51/91/546065191.db2.gz KKJFNAFZWQTJRP-BXUZGUMPSA-N 0 0 308.382 0.911 10 0 DCAERN C[C@H](CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333143693 546073346 /nfs/dbraw/zinc/07/33/46/546073346.db2.gz JTRLVUJWPOWGAG-MQYQWHSLSA-N 0 0 302.440 0.815 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000333213967 546074603 /nfs/dbraw/zinc/07/46/03/546074603.db2.gz CBTLLRDSDDTMFC-JTQLQIEISA-N 0 0 303.409 0.659 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2C[C@H](F)C[C@H]2CO)cn1 ZINC000333380157 546079509 /nfs/dbraw/zinc/07/95/09/546079509.db2.gz KJJUQPACRZKUAD-XQHKEYJVSA-N 0 0 312.345 0.364 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCc2cccnc21 ZINC000333416369 546080736 /nfs/dbraw/zinc/08/07/36/546080736.db2.gz IEFUBCURBPPZJL-VXGBXAGGSA-N 0 0 309.391 0.391 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](N[C@H]1CCCOC1)C(F)(F)F ZINC000336811425 546097866 /nfs/dbraw/zinc/09/78/66/546097866.db2.gz MXLFTAZAARFKRO-IUCAKERBSA-N 0 0 304.334 0.577 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N(CCO)CCN1CCOCC1 ZINC000338213729 546105177 /nfs/dbraw/zinc/10/51/77/546105177.db2.gz FYTCQOIVBQUHTG-UHFFFAOYSA-N 0 0 314.426 0.535 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2cccc(N)c2)C1 ZINC000402871383 546227275 /nfs/dbraw/zinc/22/72/75/546227275.db2.gz AWDSRJTWDSDMGZ-CYBMUJFWSA-N 0 0 300.380 0.431 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCc2n[nH]cc2C1 ZINC000404738042 546228231 /nfs/dbraw/zinc/22/82/31/546228231.db2.gz VDSWULROIFZAJY-UHFFFAOYSA-N 0 0 315.786 0.934 10 0 DCAERN CCNC(=O)N1CC[C@H](Nc2cc(OC)nc(COC)n2)C1 ZINC000443496922 546256372 /nfs/dbraw/zinc/25/63/72/546256372.db2.gz FFTVUWUDUJWVBT-JTQLQIEISA-N 0 0 309.370 0.847 10 0 DCAERN O=S1(=O)CCCN1CCCNc1ncnc2ccsc21 ZINC000585744876 546304180 /nfs/dbraw/zinc/30/41/80/546304180.db2.gz NKHLLTYFWIUFMP-UHFFFAOYSA-N 0 0 312.420 1.529 10 0 DCAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCNC(=O)CC1 ZINC000668173351 546705268 /nfs/dbraw/zinc/70/52/68/546705268.db2.gz FELGUNDQGGBBME-TZMCWYRMSA-N 0 0 320.393 0.719 10 0 DCAERN CCOC1(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)CCCC1 ZINC000671603810 547264596 /nfs/dbraw/zinc/26/45/96/547264596.db2.gz JJVLQTPZHSQISC-AWEZNQCLSA-N 0 0 308.382 0.591 10 0 DCAERN CCOC(=O)[C@@H](C)n1cc(C2(S(N)(=O)=O)CCC2)nn1 ZINC000725241688 548748768 /nfs/dbraw/zinc/74/87/68/548748768.db2.gz MQRAJSYYDXRQEV-MRVPVSSYSA-N 0 0 302.356 0.070 10 0 DCAERN CN1C(=O)N=NC1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000685945672 548749013 /nfs/dbraw/zinc/74/90/13/548749013.db2.gz VPQCDOGFYBVWBJ-IVZWLZJFSA-N 0 0 312.370 0.900 10 0 DCAERN Cc1cc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)on1 ZINC000888094267 661158959 /nfs/dbraw/zinc/15/89/59/661158959.db2.gz DHDRSUDBPRSAGW-QWHCGFSZSA-N 0 0 306.322 0.222 10 0 DCAERN Cn1cnc2cc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)cnc21 ZINC000888094798 661162609 /nfs/dbraw/zinc/16/26/09/661162609.db2.gz JVTZJLVPGKDZDA-CHWSQXEVSA-N 0 0 316.361 0.628 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000337052918 661214117 /nfs/dbraw/zinc/21/41/17/661214117.db2.gz SSMIBRXUCHJEBY-HTQZYQBOSA-N 0 0 300.302 0.337 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccccc1Br ZINC000722488816 661273771 /nfs/dbraw/zinc/27/37/71/661273771.db2.gz FOEIINIEYWVBCN-ZETCQYMHSA-N 0 0 307.169 0.631 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)c1ccsc1 ZINC000356250299 665422631 /nfs/dbraw/zinc/42/26/31/665422631.db2.gz HBYGLQUTITZMJA-WDEREUQCSA-N 0 0 300.405 0.819 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCCS(C)(=O)=O)ccc1C ZINC000180601105 665446145 /nfs/dbraw/zinc/44/61/45/665446145.db2.gz OELKZKASAFFHAP-UHFFFAOYSA-N 0 0 312.391 0.657 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)OCC ZINC000049497584 657469582 /nfs/dbraw/zinc/46/95/82/657469582.db2.gz ZSWDTAJXEFONLT-WDEREUQCSA-N 0 0 320.411 0.258 10 0 DCAERN Cc1cccc(CCCOC(=O)CN2CCCS2(=O)=O)n1 ZINC000121090601 657710349 /nfs/dbraw/zinc/71/03/49/657710349.db2.gz IKTSBEWJMZWKBC-UHFFFAOYSA-N 0 0 312.391 0.901 10 0 DCAERN C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@H]1CCOC1 ZINC000255138838 657749368 /nfs/dbraw/zinc/74/93/68/657749368.db2.gz UUVXDURYTVXXNI-CKUGJSDZSA-N 0 0 308.334 0.065 10 0 DCAERN CCCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1 ZINC000168665016 657962701 /nfs/dbraw/zinc/96/27/01/657962701.db2.gz YGHJDYTWBUEIHB-LBPRGKRZSA-N 0 0 315.391 0.857 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCCc1cccs1 ZINC000725005687 658018582 /nfs/dbraw/zinc/01/85/82/658018582.db2.gz LABYKLDVHDHYMY-LLVKDONJSA-N 0 0 302.421 0.184 10 0 DCAERN CC(C)CCN(C(=O)C[C@H]1CNCCS1(=O)=O)C1CC1 ZINC000725017208 658023466 /nfs/dbraw/zinc/02/34/66/658023466.db2.gz KAFSLMLQVKXULA-ZDUSSCGKSA-N 0 0 302.440 0.800 10 0 DCAERN Cc1c(S(=O)(=O)N[C@H](CCO)C2CCCC2)cnn1C ZINC000725041880 658079160 /nfs/dbraw/zinc/07/91/60/658079160.db2.gz JOEDGBTWBKOXQR-GFCCVEGCSA-N 0 0 301.412 0.948 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000255475365 658234071 /nfs/dbraw/zinc/23/40/71/658234071.db2.gz RABQRSOEBCEXGA-IYKSTZQJSA-N 0 0 311.341 0.961 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ncccc1C ZINC000180750536 658334997 /nfs/dbraw/zinc/33/49/97/658334997.db2.gz AOFOCWUKXCDQOK-LBPRGKRZSA-N 0 0 306.366 0.702 10 0 DCAERN Cn1cnc(S(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1Cl ZINC000724549202 658450616 /nfs/dbraw/zinc/45/06/16/658450616.db2.gz YPAPODFUZKOUJG-HLTSFMKQSA-N 0 0 321.786 0.156 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724549253 658450730 /nfs/dbraw/zinc/45/07/30/658450730.db2.gz YUOTVJCPVSGMRY-MXWKQRLJSA-N 0 0 301.368 0.109 10 0 DCAERN NC(=O)[C@@H]1CCN1c1ccc(I)cn1 ZINC000757140162 658458101 /nfs/dbraw/zinc/45/81/01/658458101.db2.gz ATMLABLMDBYBTP-ZETCQYMHSA-N 0 0 303.103 0.750 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCC[C@H]1CO ZINC000300407992 658468285 /nfs/dbraw/zinc/46/82/85/658468285.db2.gz AAIIZEXXNJDTDA-TUAOUCFPSA-N 0 0 321.464 0.574 10 0 DCAERN CC[C@H](c1ccccc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000181442381 665583958 /nfs/dbraw/zinc/58/39/58/665583958.db2.gz GZZVFHXNEVBSNN-XQQFMLRXSA-N 0 0 318.416 0.710 10 0 DCAERN NC(=O)[C@H]1CCN1c1ccc(I)cc1N ZINC000757143597 658498722 /nfs/dbraw/zinc/49/87/22/658498722.db2.gz IBOZCNKJECLCKQ-SECBINFHSA-N 0 0 317.130 0.937 10 0 DCAERN COCCCNC(=O)Cn1cncc(Br)c1=O ZINC000090765248 658539147 /nfs/dbraw/zinc/53/91/47/658539147.db2.gz AINUQLRKZAHWJM-UHFFFAOYSA-N 0 0 304.144 0.159 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2cccnc2F)CC1=O ZINC000723352600 658639934 /nfs/dbraw/zinc/63/99/34/658639934.db2.gz NVNBCJLMIJRVFY-VIFPVBQESA-N 0 0 301.343 0.367 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2cccnc2Cl)CC1=O ZINC000723354618 658642904 /nfs/dbraw/zinc/64/29/04/658642904.db2.gz XOZXWAZRSBPGKA-VIFPVBQESA-N 0 0 317.798 0.882 10 0 DCAERN C[C@H]1CN(C(=O)c2c(Br)nnn2C)CCC1=O ZINC000310464138 658647450 /nfs/dbraw/zinc/64/74/50/658647450.db2.gz YUPGOWXGDKTQIC-LURJTMIESA-N 0 0 301.144 0.629 10 0 DCAERN O=C(Cc1nc2ncccn2n1)OCCN1CCSCC1 ZINC000177172419 658710681 /nfs/dbraw/zinc/71/06/81/658710681.db2.gz UYGDKWQALQQAQF-UHFFFAOYSA-N 0 0 307.379 0.259 10 0 DCAERN Cc1c(CCC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cnn1C ZINC000888079454 658732524 /nfs/dbraw/zinc/73/25/24/658732524.db2.gz MXLGFIHPDGNQPS-GZBFAFLISA-N 0 0 303.366 0.348 10 0 DCAERN O=S1(=O)CCC[C@@H]1CNCc1nc(Br)c[nH]1 ZINC000309297702 658831164 /nfs/dbraw/zinc/83/11/64/658831164.db2.gz XKVWSSNKCJUATF-SSDOTTSWSA-N 0 0 308.201 0.839 10 0 DCAERN C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)C1CCCC1 ZINC000176773713 658924746 /nfs/dbraw/zinc/92/47/46/658924746.db2.gz SGGYXPAIDYHNFY-LLVKDONJSA-N 0 0 306.428 0.926 10 0 DCAERN O=S(=O)(Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000181422219 659047560 /nfs/dbraw/zinc/04/75/60/659047560.db2.gz OITXPYUSXXWFPW-GHMZBOCLSA-N 0 0 324.807 0.413 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)OCC(F)(F)F)n(C)c1 ZINC000182504611 659124580 /nfs/dbraw/zinc/12/45/80/659124580.db2.gz CWIIGBRYSJHCFG-UHFFFAOYSA-N 0 0 314.285 0.995 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000125377767 659170807 /nfs/dbraw/zinc/17/08/07/659170807.db2.gz XAROJPNJIQOFCZ-AAEUAGOBSA-N 0 0 313.361 0.993 10 0 DCAERN COc1cc(N2CCN(C(=O)c3ccc(C=O)[nH]3)CC2)ncn1 ZINC000184319737 659218310 /nfs/dbraw/zinc/21/83/10/659218310.db2.gz XSAYXNPXDUZYEL-UHFFFAOYSA-N 0 0 315.333 0.588 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCN([C@H](C)c3nc(C)no3)CC2)C1 ZINC000189145279 659356163 /nfs/dbraw/zinc/35/61/63/659356163.db2.gz PVGRQSOYBDPHAG-DGCLKSJQSA-N 0 0 323.397 0.261 10 0 DCAERN NC(=O)NCCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000053351812 659361388 /nfs/dbraw/zinc/36/13/88/659361388.db2.gz CBBHEIKRMNQKAS-UHFFFAOYSA-N 0 0 318.377 0.878 10 0 DCAERN CC1(C)CN(C(=O)c2ccn(CC(F)F)n2)CCS1(=O)=O ZINC000194305277 659494298 /nfs/dbraw/zinc/49/42/98/659494298.db2.gz AXQWPOKPCWECAH-UHFFFAOYSA-N 0 0 321.349 0.797 10 0 DCAERN Cc1nn[nH]c1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000194599410 659510099 /nfs/dbraw/zinc/51/00/99/659510099.db2.gz QFKQEDYREMVKER-LBPRGKRZSA-N 0 0 317.324 0.783 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCO[C@@H](c3cnn(C)c3)C2)n1 ZINC000333401519 659775908 /nfs/dbraw/zinc/77/59/08/659775908.db2.gz FMZJDKWUIFPXQC-CYBMUJFWSA-N 0 0 313.365 0.983 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000338948011 662093096 /nfs/dbraw/zinc/09/30/96/662093096.db2.gz AFGNMKNWDMUGGE-NEPJUHHUSA-N 0 0 307.375 0.251 10 0 DCAERN NC(=O)CNC(=S)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000727069446 662113680 /nfs/dbraw/zinc/11/36/80/662113680.db2.gz ZOBMMPJYUGNIIH-UHFFFAOYSA-N 0 0 312.439 0.071 10 0 DCAERN CCS(=O)(=O)CCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000727718394 662230172 /nfs/dbraw/zinc/23/01/72/662230172.db2.gz LTSLGAUMHCQRGN-UHFFFAOYSA-N 0 0 315.395 0.372 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000896212653 662252770 /nfs/dbraw/zinc/25/27/70/662252770.db2.gz MHBRKWIFPFVLDN-AWEZNQCLSA-N 0 0 308.426 0.842 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)Cc1ccncc1 ZINC000357015157 665847719 /nfs/dbraw/zinc/84/77/19/665847719.db2.gz OLHHXNSLFSDMEK-OLZOCXBDSA-N 0 0 309.391 0.023 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@@H]1N1CCOCC1 ZINC000262690562 662531434 /nfs/dbraw/zinc/53/14/34/662531434.db2.gz AEMSXAGMAVGIJD-UTUOFQBUSA-N 0 0 303.353 0.163 10 0 DCAERN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(F)(F)CN1 ZINC000262927467 662599920 /nfs/dbraw/zinc/59/99/20/662599920.db2.gz HOIBBPQTKXUAIO-CMPLNLGQSA-N 0 0 309.316 0.905 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1OC ZINC000344913375 663080633 /nfs/dbraw/zinc/08/06/33/663080633.db2.gz GSNYWXBZMNGUKW-JGVFFNPUSA-N 0 0 307.343 0.891 10 0 DCAERN C[C@H](O)[C@H](C)NS(=O)(=O)c1cncc(Br)c1 ZINC000344925634 663081024 /nfs/dbraw/zinc/08/10/24/663081024.db2.gz XUJCTLLOPOWHMT-BQBZGAKWSA-N 0 0 309.185 0.892 10 0 DCAERN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@]2(OC)CCOC2)C1 ZINC000898546073 663095066 /nfs/dbraw/zinc/09/50/66/663095066.db2.gz GNGDFXGPJZYFIO-JTNHKYCSSA-N 0 0 303.330 0.542 10 0 DCAERN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@@H]2CN(C)C[C@H](C)O2)C1 ZINC000898558171 663095534 /nfs/dbraw/zinc/09/55/34/663095534.db2.gz XGAHAAJEALIYBP-ZDEQEGDKSA-N 0 0 316.373 0.455 10 0 DCAERN Cc1nc2c(nccc2C(=O)N(C)[C@H](C)CS(C)(=O)=O)[nH]1 ZINC000435446963 663197943 /nfs/dbraw/zinc/19/79/43/663197943.db2.gz DKMUAOOFBTZQIY-MRVPVSSYSA-N 0 0 310.379 0.771 10 0 DCAERN Cc1nc2c(nccc2C(=O)N=c2ccn(CCC(N)=O)[nH]2)[nH]1 ZINC000435462916 663198441 /nfs/dbraw/zinc/19/84/41/663198441.db2.gz JAAKNRQWBJJCOC-UHFFFAOYSA-N 0 0 313.321 0.012 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900959063 663297614 /nfs/dbraw/zinc/29/76/14/663297614.db2.gz JTYWXLOKUGEBGV-CHWSQXEVSA-N 0 0 306.366 0.040 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cn(C)c(=O)n1C ZINC000900961763 663297832 /nfs/dbraw/zinc/29/78/32/663297832.db2.gz ZLNLMWGZOQVZIJ-GFCCVEGCSA-N 0 0 303.366 0.534 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCC(=O)NCC(F)(F)F)[nH]1 ZINC000436120893 663416846 /nfs/dbraw/zinc/41/68/46/663416846.db2.gz BFJXFANPSFTVIL-UHFFFAOYSA-N 0 0 315.255 0.675 10 0 DCAERN O=C(c1nccnc1Cl)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000908088945 663731461 /nfs/dbraw/zinc/73/14/61/663731461.db2.gz FBZPCNVTMCNDIG-CYBMUJFWSA-N 0 0 322.756 0.389 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155555907 663773898 /nfs/dbraw/zinc/77/38/98/663773898.db2.gz QXIKZCJDPUMLAR-KGLIPLIRSA-N 0 0 306.362 0.808 10 0 DCAERN O=C(COc1ccccc1F)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909148764 663783588 /nfs/dbraw/zinc/78/35/88/663783588.db2.gz MFQFPOOCWIMMEH-TYNCELHUSA-N 0 0 305.309 0.892 10 0 DCAERN CCNc1ncc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)s1 ZINC000909189796 663786100 /nfs/dbraw/zinc/78/61/00/663786100.db2.gz LFJFTAYGGFNDGE-FXPVBKGRSA-N 0 0 307.379 0.876 10 0 DCAERN O=C(Cc1cnn2ccccc12)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909193052 663786156 /nfs/dbraw/zinc/78/61/56/663786156.db2.gz HPWPHPNAWSBJLR-INWMFGNUSA-N 0 0 311.345 0.564 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1cc(O)c(F)cc1F ZINC000909987908 663830470 /nfs/dbraw/zinc/83/04/70/663830470.db2.gz NUODVPPTIRKZDH-NSHDSACASA-N 0 0 314.288 0.982 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CCNC1=O)N1Cc2ccccc2C1=O ZINC000912277644 664160026 /nfs/dbraw/zinc/16/00/26/664160026.db2.gz DNEYMVOZWQNYNZ-ZIAGYGMSSA-N 0 0 315.373 0.672 10 0 DCAERN CNS(=O)(=O)c1ccc2oc(C(=O)NC[C@H](C)O)cc2c1 ZINC000222811799 664390310 /nfs/dbraw/zinc/39/03/10/664390310.db2.gz QBSQMZCUDZMCEN-QMMMGPOBSA-N 0 0 312.347 0.452 10 0 DCAERN Cc1c(CC(=O)Nc2ccc3c(c2)OCO3)ncn(C)c1=O ZINC000222943777 664395378 /nfs/dbraw/zinc/39/53/78/664395378.db2.gz YVAULJLPQNQCHT-UHFFFAOYSA-N 0 0 301.302 0.999 10 0 DCAERN Cc1c(C(=O)N[C@@H](CO)Cc2ccccc2)nn2c1OCC2 ZINC000223828764 664423836 /nfs/dbraw/zinc/42/38/36/664423836.db2.gz FXNUUXCCMPZARU-CYBMUJFWSA-N 0 0 301.346 0.917 10 0 DCAERN Cn1cc(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000046280888 664501577 /nfs/dbraw/zinc/50/15/77/664501577.db2.gz UIMSEKSFQUYAHZ-UHFFFAOYSA-N 0 0 314.301 0.167 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000170196524 664574219 /nfs/dbraw/zinc/57/42/19/664574219.db2.gz VCLRWWPIBOVHMH-HUUCEWRRSA-N 0 0 318.373 0.255 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1ccc(-n2ccnc2)cc1 ZINC000171867121 664613649 /nfs/dbraw/zinc/61/36/49/664613649.db2.gz VUDOTHIZVKQWEE-UHFFFAOYSA-N 0 0 313.317 0.040 10 0 DCAERN CN1C(=O)OC[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000062632204 664622135 /nfs/dbraw/zinc/62/21/35/664622135.db2.gz NKQRDYRHUWJADE-AWEZNQCLSA-N 0 0 303.362 0.781 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cc(C)on1 ZINC000730306896 664681687 /nfs/dbraw/zinc/68/16/87/664681687.db2.gz LKHMMHSQEGNPCE-VIFPVBQESA-N 0 0 313.335 0.386 10 0 DCAERN CCOC(=O)c1cn(CN2CCS(=O)(=O)[C@@H](C)C2)nc1C ZINC000151581042 664707453 /nfs/dbraw/zinc/70/74/53/664707453.db2.gz DTKSYGYGTMGWQN-JTQLQIEISA-N 0 0 315.395 0.445 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1c(Cl)nc2ccccn21 ZINC000152167247 664738019 /nfs/dbraw/zinc/73/80/19/664738019.db2.gz AGKWABMRPJPYDY-SSDOTTSWSA-N 0 0 306.709 0.523 10 0 DCAERN COC(=O)C1CCN(C(=O)COC(=O)C2=COCCC2)CC1 ZINC000730852144 664820425 /nfs/dbraw/zinc/82/04/25/664820425.db2.gz IHHVBGAPZJQNAG-UHFFFAOYSA-N 0 0 311.334 0.636 10 0 DCAERN C[C@H]1Oc2ccc(C(=O)COC(=O)[C@H](O)C3CC3)cc2NC1=O ZINC000730876968 664824134 /nfs/dbraw/zinc/82/41/34/664824134.db2.gz BVJZWZSDPUHKNT-XLKFXECMSA-N 0 0 319.313 0.903 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000741421854 664838051 /nfs/dbraw/zinc/83/80/51/664838051.db2.gz RFEQTRHOSLNYBD-ZSEKCTLFSA-N 0 0 317.455 0.261 10 0 DCAERN CCN(CC(=O)OC)C(=O)COc1ccc(C=O)cc1OC ZINC000731631553 664875625 /nfs/dbraw/zinc/87/56/25/664875625.db2.gz VDVWUHSACQYWQO-UHFFFAOYSA-N 0 0 309.318 0.908 10 0 DCAERN CC[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000731736417 664881026 /nfs/dbraw/zinc/88/10/26/664881026.db2.gz PIVNHSUKAULUHA-LBPRGKRZSA-N 0 0 320.345 0.999 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CNC(=O)N1 ZINC000732361748 664921721 /nfs/dbraw/zinc/92/17/21/664921721.db2.gz QUTQMEWYCNMMKB-CABZTGNLSA-N 0 0 319.317 0.441 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000255559307 664955446 /nfs/dbraw/zinc/95/54/46/664955446.db2.gz RFGXGABZLODUMC-CHWSQXEVSA-N 0 0 302.415 0.389 10 0 DCAERN CCC(CC)(CNC(=O)C[C@H]1CS(=O)(=O)CCN1)SC ZINC000232896780 665171109 /nfs/dbraw/zinc/17/11/09/665171109.db2.gz ZUYUMWUVXHSBGT-NSHDSACASA-N 0 0 322.496 0.801 10 0 DCAERN C#CCNC(=O)CN(CCCC1CCCC1)CC(=O)NCC#C ZINC000031462936 665330582 /nfs/dbraw/zinc/33/05/82/665330582.db2.gz ZERCRQADKSIMSW-UHFFFAOYSA-N 0 0 317.433 0.758 10 0 DCAERN O=C(NC1(CO)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183312796 666020895 /nfs/dbraw/zinc/02/08/95/666020895.db2.gz FRFYRCJNJIEMQP-LBPRGKRZSA-N 0 0 305.290 0.729 10 0 DCAERN COc1ccc(C(=O)NCC(=O)OCCc2cn[nH]c2)cc1 ZINC000183313863 666021902 /nfs/dbraw/zinc/02/19/02/666021902.db2.gz PFNCFQMLFAVVQE-UHFFFAOYSA-N 0 0 303.318 0.934 10 0 DCAERN CC(C)(C)c1ccc(=O)n(CN2CCO[C@]3(CCOC3)C2)n1 ZINC000184289548 666194679 /nfs/dbraw/zinc/19/46/79/666194679.db2.gz OHQCFKSFFHRQTG-MRXNPFEDSA-N 0 0 307.394 0.990 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000184497176 666218020 /nfs/dbraw/zinc/21/80/20/666218020.db2.gz PMIROQYDSQMQTO-JTQLQIEISA-N 0 0 304.268 0.991 10 0 DCAERN O[C@H](Cn1ccnc1[C@@H](O)c1ccccc1)CN1CCOCC1 ZINC000184748610 666269471 /nfs/dbraw/zinc/26/94/71/666269471.db2.gz MSWMARQDSZLMHR-HOTGVXAUSA-N 0 0 317.389 0.658 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000184910489 666301737 /nfs/dbraw/zinc/30/17/37/666301737.db2.gz NKPQSOMSKAEADL-RYUDHWBXSA-N 0 0 314.345 0.976 10 0 DCAERN NC(=O)c1ccc(=O)n(C[C@@H](O)c2ccc(F)cc2Cl)n1 ZINC000184980131 666315302 /nfs/dbraw/zinc/31/53/02/666315302.db2.gz FXYMFSXJFUZFGE-LLVKDONJSA-N 0 0 311.700 0.868 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733246538 666358376 /nfs/dbraw/zinc/35/83/76/666358376.db2.gz OPKQPKWPIULGCO-MRVPVSSYSA-N 0 0 319.814 0.964 10 0 DCAERN C[C@@H]1CN=C(N2CCN(Cc3nc(N(C)C)no3)CC2)S1 ZINC000185276153 666396430 /nfs/dbraw/zinc/39/64/30/666396430.db2.gz QFANKWMJYYQVSJ-SNVBAGLBSA-N 0 0 310.427 0.745 10 0 DCAERN Cc1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1S(N)(=O)=O ZINC000073923081 666598246 /nfs/dbraw/zinc/59/82/46/666598246.db2.gz PTCISHJHCIVUME-PHIMTYICSA-N 0 0 312.391 0.892 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1cccnc1Br ZINC000700216746 666695960 /nfs/dbraw/zinc/69/59/60/666695960.db2.gz LNBWSENFRQBKSU-SECBINFHSA-N 0 0 314.183 0.905 10 0 DCAERN COC(=O)N[C@H](C(=O)OCC(=O)N(C)CC1CC1)C(C)C ZINC000733554502 666762351 /nfs/dbraw/zinc/76/23/51/666762351.db2.gz VAOZUSMIMWGELF-LBPRGKRZSA-N 0 0 300.355 0.779 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000733879841 666823712 /nfs/dbraw/zinc/82/37/12/666823712.db2.gz QWFNRWYOCIJPEW-LJQANCHMSA-N 0 0 318.420 0.093 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1c2ccccc2CCC1=O ZINC000733961543 666832331 /nfs/dbraw/zinc/83/23/31/666832331.db2.gz CFISMRHMHJINTO-NRFANRHFSA-N 0 0 308.403 0.851 10 0 DCAERN CCCCC(=O)N1CSC[C@@H]1C(=O)NCC[S@@](=O)CC ZINC000733959911 666832393 /nfs/dbraw/zinc/83/23/93/666832393.db2.gz PFMGXKPYJYXMCC-GIPWTMENSA-N 0 0 320.480 0.963 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)NCC[S@](=O)CC ZINC000733963111 666832652 /nfs/dbraw/zinc/83/26/52/666832652.db2.gz UKGUCMPECHAHJV-APBUJDDRSA-N 0 0 308.469 0.519 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)NCC[S@](=O)CC)CC1=O ZINC000733964921 666833238 /nfs/dbraw/zinc/83/32/38/666833238.db2.gz WLNZIFZXCDTEDD-JOOBJXAISA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)COc1ccccc1 ZINC000734357902 666870897 /nfs/dbraw/zinc/87/08/97/666870897.db2.gz IBJASTZVDNLARO-NRFANRHFSA-N 0 0 312.391 0.066 10 0 DCAERN CC[S@@](=O)CCNC(=O)COc1cc(OC)ccc1C=O ZINC000734436955 666875337 /nfs/dbraw/zinc/87/53/37/666875337.db2.gz HEBCVPLWLNWBGG-OAQYLSRUSA-N 0 0 313.375 0.771 10 0 DCAERN CC[S@@](=O)CCNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000735075472 666941992 /nfs/dbraw/zinc/94/19/92/666941992.db2.gz IYTQJUSVZLQXCB-LAJNKCICSA-N 0 0 312.439 0.866 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000735108534 666947216 /nfs/dbraw/zinc/94/72/16/666947216.db2.gz ANAIHQDNHXKCHO-FQEVSTJZSA-N 0 0 315.361 0.645 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCNC(=O)c1cccs1 ZINC000735096446 666951549 /nfs/dbraw/zinc/95/15/49/666951549.db2.gz CHYJMKAVWHKAOM-FQEVSTJZSA-N 0 0 317.436 0.546 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000735097933 666951916 /nfs/dbraw/zinc/95/19/16/666951916.db2.gz WQLJUCHUNLBJQU-IPQOISQHSA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000735110404 666954117 /nfs/dbraw/zinc/95/41/17/666954117.db2.gz KSLUITRLLWHQIP-NRFANRHFSA-N 0 0 317.455 0.655 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccncn2)C1 ZINC000702797546 666994189 /nfs/dbraw/zinc/99/41/89/666994189.db2.gz QYLJMYCERIXNGK-PWSUYJOCSA-N 0 0 322.365 0.434 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC000702830308 667001320 /nfs/dbraw/zinc/00/13/20/667001320.db2.gz JYQPVFVTQLXLMB-NWDGAFQWSA-N 0 0 324.381 0.227 10 0 DCAERN NC(=O)N1CCC[C@H]1COC(=O)c1cccc(-n2cncn2)c1 ZINC000118901837 667039109 /nfs/dbraw/zinc/03/91/09/667039109.db2.gz LODONWYBWTXRDL-ZDUSSCGKSA-N 0 0 315.333 0.967 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COCC(F)(F)F)cn1 ZINC000862922450 667092435 /nfs/dbraw/zinc/09/24/35/667092435.db2.gz DNOXDTXEFVIECN-VHSXEESVSA-N 0 0 323.271 0.261 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000736274149 667136893 /nfs/dbraw/zinc/13/68/93/667136893.db2.gz RKUSELIMUSBRJK-NWDGAFQWSA-N 0 0 314.407 0.850 10 0 DCAERN COCc1nn(CN2CCC[C@H](n3cc(C)cn3)C2)c(=O)o1 ZINC000119738113 667200280 /nfs/dbraw/zinc/20/02/80/667200280.db2.gz IJTRDRYFMOAWHL-LBPRGKRZSA-N 0 0 307.354 0.782 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000736658667 667213843 /nfs/dbraw/zinc/21/38/43/667213843.db2.gz DSMUXPKPXIAVKT-JGRMJRGVSA-N 0 0 305.444 0.163 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)Cn1nc(CO)n(C)c1=S ZINC000120590214 667328448 /nfs/dbraw/zinc/32/84/48/667328448.db2.gz MUSUDPHPHHKIQR-VIFPVBQESA-N 0 0 302.400 0.673 10 0 DCAERN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](CO)C1 ZINC000710042737 667445854 /nfs/dbraw/zinc/44/58/54/667445854.db2.gz PDMGSKKHPYYRAL-MGNBDDOMSA-N 0 0 312.457 0.832 10 0 DCAERN C[C@H](C(N)=O)N(C)C(=O)c1cc(Br)cnc1F ZINC000711040923 667448616 /nfs/dbraw/zinc/44/86/16/667448616.db2.gz JZUGKMGWLGNQNN-RXMQYKEDSA-N 0 0 304.119 0.929 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCCC3(C2)OCCO3)C1 ZINC000133944226 667494202 /nfs/dbraw/zinc/49/42/02/667494202.db2.gz PGWSFZYTXXFNMA-LBPRGKRZSA-N 0 0 304.412 0.802 10 0 DCAERN Brc1nc(Br)n(CCn2cnnn2)n1 ZINC000711900634 667551672 /nfs/dbraw/zinc/55/16/72/667551672.db2.gz DZKILCZYAUCPGA-UHFFFAOYSA-N 0 0 322.952 0.490 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000888530224 667688937 /nfs/dbraw/zinc/68/89/37/667688937.db2.gz CIRLOHBMXBZJQF-LLVKDONJSA-N 0 0 304.358 0.489 10 0 DCAERN COCCN(Cn1nc(C(=O)OC)ccc1=O)CC(F)(F)F ZINC000739844220 667721253 /nfs/dbraw/zinc/72/12/53/667721253.db2.gz CDXRIXIOWSWIGR-UHFFFAOYSA-N 0 0 323.271 0.498 10 0 DCAERN COc1nc(C)nc(N2CC[C@H]3OCCN(C(C)=O)[C@H]3C2)c1C ZINC000886038286 667726761 /nfs/dbraw/zinc/72/67/61/667726761.db2.gz PXCYRGVVSNBART-UONOGXRCSA-N 0 0 320.393 0.928 10 0 DCAERN Cc1cnc(C)c(N2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886065455 667727850 /nfs/dbraw/zinc/72/78/50/667727850.db2.gz FSKCQWADIJKVCL-OAHLLOKOSA-N 0 0 302.382 0.796 10 0 DCAERN CCOc1cc(N2CCC[C@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065786 667728134 /nfs/dbraw/zinc/72/81/34/667728134.db2.gz UMRIEMRWLGHMDO-HNNXBMFYSA-N 0 0 318.381 0.578 10 0 DCAERN CO[C@@H]1CN(Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1c1cn(C)nn1 ZINC000886072141 667728664 /nfs/dbraw/zinc/72/86/64/667728664.db2.gz VTBNVQSASBAQMD-CMPLNLGQSA-N 0 0 319.413 0.845 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCCCCC2)C[C@H]1c1cn(C)nn1 ZINC000886074505 667729132 /nfs/dbraw/zinc/72/91/32/667729132.db2.gz ICHAGLNQONVSJR-DZGCQCFKSA-N 0 0 321.425 0.632 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCn3cncc3C2)C1=O ZINC000886077643 667729280 /nfs/dbraw/zinc/72/92/80/667729280.db2.gz DIJIRCRXBCVMDU-CYBMUJFWSA-N 0 0 306.366 0.253 10 0 DCAERN O=C(c1c[nH]nc1C1CCOCC1)N1CCN2CCOC[C@H]2C1 ZINC000886074567 667729294 /nfs/dbraw/zinc/72/92/94/667729294.db2.gz CWCNJSMHXBQWTI-CYBMUJFWSA-N 0 0 320.393 0.460 10 0 DCAERN CO[C@@H]1CN(c2cc(NC3CC3)ncn2)C[C@H]1c1cn(C)nn1 ZINC000886079428 667729735 /nfs/dbraw/zinc/72/97/35/667729735.db2.gz XWITVBXJKQPEMK-WCQYABFASA-N 0 0 315.381 0.798 10 0 DCAERN CO[C@@H]1CN(c2nc(C)nc(C)c2F)C[C@H]1c1cn(C)nn1 ZINC000886079994 667729837 /nfs/dbraw/zinc/72/98/37/667729837.db2.gz IVLIGONDNZIRHW-CMPLNLGQSA-N 0 0 306.345 0.980 10 0 DCAERN CCOCC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C ZINC000886084765 667730005 /nfs/dbraw/zinc/73/00/05/667730005.db2.gz FWGDVGQLYPVYLL-IUODEOHRSA-N 0 0 320.393 0.767 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)no1 ZINC000886084822 667730414 /nfs/dbraw/zinc/73/04/14/667730414.db2.gz KDFIJLUUQWOWBS-ZWNOBZJWSA-N 0 0 317.349 0.808 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCCn3nccc32)C1=O ZINC000886088490 667730839 /nfs/dbraw/zinc/73/08/39/667730839.db2.gz HRLQKPFFVATFFL-GFCCVEGCSA-N 0 0 306.366 0.647 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)COC2CCCC2)C1 ZINC000886095269 667731456 /nfs/dbraw/zinc/73/14/56/667731456.db2.gz PKBXJIDOZNWJFX-INIZCTEOSA-N 0 0 322.409 0.670 10 0 DCAERN NC(=O)[C@@]1(N2CCN(c3ccncc3Cl)CC2)CCOC1 ZINC000886094982 667731641 /nfs/dbraw/zinc/73/16/41/667731641.db2.gz JFKIJUVTGAWWMN-CQSZACIVSA-N 0 0 310.785 0.501 10 0 DCAERN CN1CC[C@@H]1CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000712355909 667743971 /nfs/dbraw/zinc/74/39/71/667743971.db2.gz HYEJHLVPQVHPKC-SECBINFHSA-N 0 0 314.798 0.970 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000741419929 667770372 /nfs/dbraw/zinc/77/03/72/667770372.db2.gz FFKHFIZTELOWMC-IBGZPJMESA-N 0 0 318.420 0.980 10 0 DCAERN COc1ccc(C(=O)NC[C@H](O)[C@@H](C)O)cc1Br ZINC000717412384 667789532 /nfs/dbraw/zinc/78/95/32/667789532.db2.gz JKOXUBIIRBTJOZ-XCBNKYQSSA-N 0 0 318.167 0.929 10 0 DCAERN Cn1cc([C@H](O)CNC(=O)Nc2ccc3nccn3c2)cn1 ZINC000743168740 667804562 /nfs/dbraw/zinc/80/45/62/667804562.db2.gz DFYWFMWWZABZCQ-GFCCVEGCSA-N 0 0 300.322 0.923 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207955 667805020 /nfs/dbraw/zinc/80/50/20/667805020.db2.gz ZIDBAXUKILZGIX-ZJUUUORDSA-N 0 0 300.384 0.705 10 0 DCAERN C[C@@H](CCNS(=O)(=O)c1ncn(C)c1Cl)[S@](C)=O ZINC000123972930 667871461 /nfs/dbraw/zinc/87/14/61/667871461.db2.gz JIWLGQCVNZNDDH-BWKAKNAASA-N 0 0 313.832 0.509 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(Cl)s1 ZINC000125100442 668205808 /nfs/dbraw/zinc/20/58/08/668205808.db2.gz OUXKACHWWFRDNW-QMMMGPOBSA-N 0 0 322.839 0.794 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000187297940 668250679 /nfs/dbraw/zinc/25/06/79/668250679.db2.gz JCJOTYLYSJZRKK-IUODEOHRSA-N 0 0 308.378 0.254 10 0 DCAERN C[C@@H]1CCC[C@H](N(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000126685247 668645945 /nfs/dbraw/zinc/64/59/45/668645945.db2.gz QURTZWUAZDZKCW-UPJWGTAASA-N 0 0 302.440 0.800 10 0 DCAERN Cc1ccccc1CCNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126856700 668672111 /nfs/dbraw/zinc/67/21/11/668672111.db2.gz RWNFDNRJCORBPR-AWEZNQCLSA-N 0 0 310.419 0.430 10 0 DCAERN Cn1cc([C@]2(C)NC(=O)N(CC3(O)CCCCC3)C2=O)cn1 ZINC000127856661 669068892 /nfs/dbraw/zinc/06/88/92/669068892.db2.gz VYJYJKFWJSJMOP-AWEZNQCLSA-N 0 0 306.366 0.882 10 0 DCAERN NS(=O)(=O)c1ccc(NCC(=O)NCC(F)(F)F)cc1 ZINC000393699847 1157874555 /nfs/dbraw/zinc/87/45/55/1157874555.db2.gz WKPBFJFJDHIBHJ-UHFFFAOYSA-N 0 0 311.285 0.424 10 0 DCAERN Cc1cc2nccc(NC(=O)NC[C@@H]3CC(=O)N(C)C3)n2n1 ZINC000932454588 669367779 /nfs/dbraw/zinc/36/77/79/669367779.db2.gz LNRIEYYRLPGTMI-JTQLQIEISA-N 0 0 302.338 0.638 10 0 DCAERN CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000717151124 669744494 /nfs/dbraw/zinc/74/44/94/669744494.db2.gz SBXDEAJOIJSUSE-WDEREUQCSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000717212520 669758973 /nfs/dbraw/zinc/75/89/73/669758973.db2.gz HPQDGUNIQMQXDS-NAWOPXAZSA-N 0 0 300.424 0.948 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2=O)cc1 ZINC000075158664 669985424 /nfs/dbraw/zinc/98/54/24/669985424.db2.gz MFFIKQAHMAIODJ-GFCCVEGCSA-N 0 0 304.350 0.275 10 0 DCAERN NC(=O)C1CCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 ZINC000075303717 669999306 /nfs/dbraw/zinc/99/93/06/669999306.db2.gz YHFYFKDIEMSTPB-UHFFFAOYSA-N 0 0 304.325 0.740 10 0 DCAERN Cc1ccn(CN2CC[C@](O)(C(F)(F)F)C2)c(=O)c1C#N ZINC000191432651 670023810 /nfs/dbraw/zinc/02/38/10/670023810.db2.gz MXOIXLABWOTPEA-GFCCVEGCSA-N 0 0 301.268 0.985 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@H](C)c2nnnn2C2CC2)c1 ZINC000191634313 670076740 /nfs/dbraw/zinc/07/67/40/670076740.db2.gz DLLIKIJVNWSMJG-SSDOTTSWSA-N 0 0 305.294 0.879 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000713191250 670153917 /nfs/dbraw/zinc/15/39/17/670153917.db2.gz QZHFILOKLOGQPM-KBPBESRZSA-N 0 0 306.362 0.867 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC(=O)N(CC)C2)n1 ZINC000192433118 670164180 /nfs/dbraw/zinc/16/41/80/670164180.db2.gz FBEGNYPVXCPAAF-VIFPVBQESA-N 0 0 310.310 0.836 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccccc2Br)C1 ZINC000714457388 670189000 /nfs/dbraw/zinc/18/90/00/670189000.db2.gz JHINQXYUFYEQKY-UHFFFAOYSA-N 0 0 314.135 0.809 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCCC12OCCO2 ZINC000715936972 670226308 /nfs/dbraw/zinc/22/63/08/670226308.db2.gz GPOJIUVHFKJGRH-VIFPVBQESA-N 0 0 321.786 0.647 10 0 DCAERN Cn1nc(C(=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000757179953 670358414 /nfs/dbraw/zinc/35/84/14/670358414.db2.gz PELWIBVWRQQVTJ-ZJUUUORDSA-N 0 0 310.354 0.874 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000194204006 670412446 /nfs/dbraw/zinc/41/24/46/670412446.db2.gz SUMGLXRFLYLKPZ-RKDXNWHRSA-N 0 0 308.350 0.790 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)C[C@H]1CO ZINC000190566816 670460961 /nfs/dbraw/zinc/46/09/61/670460961.db2.gz VXDXZVJZDIMQQJ-KOLCDFICSA-N 0 0 304.350 0.379 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)OCCc2ccc(F)cc2)nn1 ZINC000111991860 670532418 /nfs/dbraw/zinc/53/24/18/670532418.db2.gz CSXCGFIBTIBIJS-UHFFFAOYSA-N 0 0 320.324 0.905 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000112299974 670580541 /nfs/dbraw/zinc/58/05/41/670580541.db2.gz AJBAPIWYZDUDJV-GIGQVBGESA-N 0 0 306.453 0.571 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@@H](CNC(=O)C(C)C)C2)nn1 ZINC000101903904 671787474 /nfs/dbraw/zinc/78/74/74/671787474.db2.gz BMQRTIMBRZICGN-LBPRGKRZSA-N 0 0 323.397 0.506 10 0 DCAERN COC[C@H](C)OC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000586474091 1158179548 /nfs/dbraw/zinc/17/95/48/1158179548.db2.gz FMFPVKIOFSKHFY-JTQLQIEISA-N 0 0 316.379 0.638 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NC[C@@]1(O)CCOC1 ZINC000227151137 1158267826 /nfs/dbraw/zinc/26/78/26/1158267826.db2.gz KMMMJSZJBWHWGI-LBPRGKRZSA-N 0 0 315.167 0.913 10 0 DCAERN Nc1nc(NC[C@@H]2CSCCS2)nc(C(F)(F)F)n1 ZINC000388809386 685255294 /nfs/dbraw/zinc/25/52/94/685255294.db2.gz QTAAPBGQKZZWIF-RXMQYKEDSA-N 0 0 311.358 0.985 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416352973 685278509 /nfs/dbraw/zinc/27/85/09/685278509.db2.gz WAFNLZPHCVQGAF-NXEZZACHSA-N 0 0 307.366 0.363 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000717996968 685304868 /nfs/dbraw/zinc/30/48/68/685304868.db2.gz ZHHXFFDGXBOIGD-UHFFFAOYSA-N 0 0 305.396 0.362 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1cnc(Br)s1 ZINC000718804377 685305566 /nfs/dbraw/zinc/30/55/66/685305566.db2.gz PNNMBOWEHCUSLY-SCSAIBSYSA-N 0 0 307.173 0.579 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)nn1 ZINC000719020485 685306605 /nfs/dbraw/zinc/30/66/05/685306605.db2.gz LQEASQCFTPXLJH-UHFFFAOYSA-N 0 0 313.379 0.559 10 0 DCAERN CO[C@]1(CNC(=O)c2ccc(F)cc2)CCS(=O)(=O)C1 ZINC000720845996 685315733 /nfs/dbraw/zinc/31/57/33/685315733.db2.gz OGUAAADRIJNNPV-ZDUSSCGKSA-N 0 0 301.339 0.759 10 0 DCAERN Cn1cc(CNCc2ncc(Cl)s2)c(=O)n(C)c1=O ZINC000719440671 685310919 /nfs/dbraw/zinc/31/09/19/685310919.db2.gz JYYKWGSVFMQINU-UHFFFAOYSA-N 0 0 300.771 0.484 10 0 DCAERN CCc1ccc(S(=O)(=O)N(C)CCS(N)(=O)=O)s1 ZINC000719472396 685311195 /nfs/dbraw/zinc/31/11/95/685311195.db2.gz WJRXWKDLSAEBIL-UHFFFAOYSA-N 0 0 312.438 0.220 10 0 DCAERN O=S(=O)(N[C@@H]1CCCN2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485131 685313218 /nfs/dbraw/zinc/31/32/18/685313218.db2.gz TVZSNRSOFIYQGP-ZJUUUORDSA-N 0 0 302.425 0.268 10 0 DCAERN CO[C@@]1(CNc2ccnc(N(C)C)n2)CCS(=O)(=O)C1 ZINC000721211639 685318039 /nfs/dbraw/zinc/31/80/39/685318039.db2.gz OCIWEZIMZHVVHC-GFCCVEGCSA-N 0 0 300.384 0.158 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000038092145 685057825 /nfs/dbraw/zinc/05/78/25/685057825.db2.gz YWZLIZZRLJVTOK-UHFFFAOYSA-N 0 0 300.384 0.349 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3CCCCNC3=O)nc2n1 ZINC000077280142 685080172 /nfs/dbraw/zinc/08/01/72/685080172.db2.gz YNNBAKCTOWQGCR-LLVKDONJSA-N 0 0 316.365 0.069 10 0 DCAERN C#CCN(C(=O)N[C@H](C)CCSC)[C@@H]1CCS(=O)(=O)C1 ZINC000091222316 685103754 /nfs/dbraw/zinc/10/37/54/685103754.db2.gz IUFSZDDHIOPATF-VXGBXAGGSA-N 0 0 318.464 0.960 10 0 DCAERN CNc1ncc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)s1 ZINC000153915895 685134779 /nfs/dbraw/zinc/13/47/79/685134779.db2.gz RNKBSUSDOLVUFJ-UHFFFAOYSA-N 0 0 303.409 0.834 10 0 DCAERN COC(=O)[C@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CCO1 ZINC000245848031 685158848 /nfs/dbraw/zinc/15/88/48/685158848.db2.gz KEWSSIGOKPUURL-CHWSQXEVSA-N 0 0 301.289 0.872 10 0 DCAERN CCOCCN1CCN(CC(=O)N2CCO[C@@H](C)C2)C[C@@H]1C ZINC000247116650 685169473 /nfs/dbraw/zinc/16/94/73/685169473.db2.gz JHNCKMVZEWORIG-GJZGRUSLSA-N 0 0 313.442 0.276 10 0 DCAERN COC(=O)C[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000248162595 685174122 /nfs/dbraw/zinc/17/41/22/685174122.db2.gz MMYSYMRXESPJFJ-DGCLKSJQSA-N 0 0 317.349 0.525 10 0 DCAERN C[C@H]1C[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C[C@@H](C)C1 ZINC000251673956 685185562 /nfs/dbraw/zinc/18/55/62/685185562.db2.gz AFKAWXREZAPPKH-MROQNXINSA-N 0 0 302.440 0.704 10 0 DCAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(C(=O)CO)CC1 ZINC000305642028 685215596 /nfs/dbraw/zinc/21/55/96/685215596.db2.gz KJEKOBCHIJPJIC-BENRWUELSA-N 0 0 306.337 0.892 10 0 DCAERN CN1C(=O)CC[C@@H](NCc2nc(Br)c[nH]2)C1=O ZINC000383297085 685242844 /nfs/dbraw/zinc/24/28/44/685242844.db2.gz OFVKCNWVFMRCAI-ZCFIWIBFSA-N 0 0 301.144 0.409 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@H](CO)[C@@H](C)O)c1cccs1 ZINC000387591605 685252971 /nfs/dbraw/zinc/25/29/71/685252971.db2.gz SVSMEOVWFUMQEJ-FBIMIBRVSA-N 0 0 300.380 0.173 10 0 DCAERN C[C@H](C(=O)NCc1nn(C)cc1Br)S(C)(=O)=O ZINC000393636249 1157805544 /nfs/dbraw/zinc/80/55/44/1157805544.db2.gz UWWXHMOUVGPRRF-ZCFIWIBFSA-N 0 0 324.200 0.232 10 0 DCAERN CC(=O)N(CCCNC(=O)CS(=O)(=O)CC(C)C)C(C)C ZINC000048316101 1171653718 /nfs/dbraw/zinc/65/37/18/1171653718.db2.gz YFUJKZYMOVYGDB-UHFFFAOYSA-N 0 0 320.455 0.820 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@@H]2Cc3ccccc3O2)cn1 ZINC000051087892 1171748939 /nfs/dbraw/zinc/74/89/39/1171748939.db2.gz TZGOOCRXXUCVOK-JTQLQIEISA-N 0 0 306.347 0.341 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1O)c1ccc(=O)[nH]n1 ZINC000055379546 1171878505 /nfs/dbraw/zinc/87/85/05/1171878505.db2.gz NXSNOUCGNSQKGW-UHFFFAOYSA-N 0 0 302.290 0.048 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)NCCCCC(=O)OC ZINC000069244888 1173801240 /nfs/dbraw/zinc/80/12/40/1173801240.db2.gz SYAMBVOSWBUYKC-NSHDSACASA-N 0 0 301.387 0.934 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1N ZINC000123996190 1177092129 /nfs/dbraw/zinc/09/21/29/1177092129.db2.gz PVFXUENRDONODR-SSDOTTSWSA-N 0 0 312.167 0.992 10 0 DCAERN CC(=O)N1CCC(C(=O)NNC(=O)NCc2ccco2)CC1 ZINC000138986070 1179153032 /nfs/dbraw/zinc/15/30/32/1179153032.db2.gz OKSFTERSXMQXTP-UHFFFAOYSA-N 0 0 308.338 0.369 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC000153426352 1180549210 /nfs/dbraw/zinc/54/92/10/1180549210.db2.gz YVXQMOALKLRZJJ-VIFPVBQESA-N 0 0 321.381 0.676 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000245775160 1182934194 /nfs/dbraw/zinc/93/41/94/1182934194.db2.gz AFRWJXRCTYNKBY-RBKKPWLPSA-N 0 0 303.424 0.978 10 0 DCAERN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1nc(CS(C)(=O)=O)no1 ZINC000249075165 1183452375 /nfs/dbraw/zinc/45/23/75/1183452375.db2.gz RRYYQXZRHPPUTN-ILWJIGKKSA-N 0 0 303.384 0.348 10 0 DCAERN CC(C)CC(=O)NCCNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000169834342 1183609100 /nfs/dbraw/zinc/60/91/00/1183609100.db2.gz NCLKJSSNYZNJET-LBPRGKRZSA-N 0 0 311.426 0.912 10 0 DCAERN CC(=O)N1CCC(CNC(=O)[C@H](C)NC(=O)c2ccoc2)CC1 ZINC000170895989 1183694643 /nfs/dbraw/zinc/69/46/43/1183694643.db2.gz ILMGDJFYGLCQJN-NSHDSACASA-N 0 0 321.377 0.773 10 0 DCAERN CC(C)NC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000171002187 1183704067 /nfs/dbraw/zinc/70/40/67/1183704067.db2.gz ZAOYEDCQUJMKEP-HNNXBMFYSA-N 0 0 304.350 0.949 10 0 DCAERN O=C(CCNC(=O)Cn1nnc2ccccc21)Nc1ccncc1 ZINC000171006692 1183705415 /nfs/dbraw/zinc/70/54/15/1183705415.db2.gz XNQYVXQBIOOJPF-UHFFFAOYSA-N 0 0 324.344 0.971 10 0 DCAERN C[C@@H](CNC(=O)Cn1nnc2ccccc21)CN1CCOCC1 ZINC000172461710 1183850633 /nfs/dbraw/zinc/85/06/33/1183850633.db2.gz VUKXZEDCHMTNND-ZDUSSCGKSA-N 0 0 317.393 0.516 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccccc1C ZINC000175273677 1184070276 /nfs/dbraw/zinc/07/02/76/1184070276.db2.gz SSWBGEICIUWSAW-CYBMUJFWSA-N 0 0 314.407 0.426 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)NCCCF)c2)NC(=O)NC1=O ZINC000178364111 1184457716 /nfs/dbraw/zinc/45/77/16/1184457716.db2.gz ZPIJPXNTDZHTKX-OAHLLOKOSA-N 0 0 322.340 0.900 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC000189087699 1187870019 /nfs/dbraw/zinc/87/00/19/1187870019.db2.gz VZEWKRPDDLVIDH-AWEZNQCLSA-N 0 0 315.377 0.804 10 0 DCAERN C[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nnnn1C ZINC000189817505 1187953602 /nfs/dbraw/zinc/95/36/02/1187953602.db2.gz WYTHBXHBFFEOFQ-IUCAKERBSA-N 0 0 310.383 0.269 10 0 DCAERN Cc1nc(Cl)c(Cl)cc1C(=O)NCCS(N)(=O)=O ZINC000311186623 1190391166 /nfs/dbraw/zinc/39/11/66/1190391166.db2.gz CFMCUVXQSKZFEE-UHFFFAOYSA-N 0 0 312.178 0.715 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N[C@@H]1COC[C@@H]1O ZINC000323307332 1190445310 /nfs/dbraw/zinc/44/53/10/1190445310.db2.gz QVIAZBFKHZPOGQ-ZJUUUORDSA-N 0 0 301.140 0.521 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(Br)ccc2N)CC(=O)N1 ZINC000386887134 1190699439 /nfs/dbraw/zinc/69/94/39/1190699439.db2.gz JNPXXYFHHYUUIP-ZETCQYMHSA-N 0 0 312.167 0.992 10 0 DCAERN O=S(=O)(NCCCCCCO)C1CCS(=O)(=O)CC1 ZINC000224484932 763423344 /nfs/dbraw/zinc/42/33/44/763423344.db2.gz IKFRRIIKWZBZFP-UHFFFAOYSA-N 0 0 313.441 0.036 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1csc([C@@H](C)N)n1 ZINC000090950633 773742863 /nfs/dbraw/zinc/74/28/63/773742863.db2.gz UVIFDFQBJSRIBI-SECBINFHSA-N 0 0 314.411 0.388 10 0 DCAERN COCCOCCCCNS(=O)(=O)c1cccnc1F ZINC000401805507 774066543 /nfs/dbraw/zinc/06/65/43/774066543.db2.gz BLNWOUDLJNJDJU-UHFFFAOYSA-N 0 0 306.359 0.942 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC000404173981 774125375 /nfs/dbraw/zinc/12/53/75/774125375.db2.gz ZMQSOKROLXHCNV-CYBMUJFWSA-N 0 0 300.380 0.397 10 0 DCAERN Nc1c(F)cccc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000707385441 939251958 /nfs/dbraw/zinc/25/19/58/939251958.db2.gz GIHSWVIFUHSSND-QMMMGPOBSA-N 0 0 301.343 0.301 10 0 DCAERN O=C(c1nc(Cl)ccc1Cl)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388136162 948977378 /nfs/dbraw/zinc/97/73/78/948977378.db2.gz XTBZREZKIWJULR-OLQVQODUSA-N 0 0 314.128 0.733 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000717296134 951413503 /nfs/dbraw/zinc/41/35/03/951413503.db2.gz ULUAVOYNUUKWDT-LDWIPMOCSA-N 0 0 303.156 0.503 10 0 DCAERN C[C@@H](C[NH2+]CCOc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000697554306 976848407 /nfs/dbraw/zinc/84/84/07/976848407.db2.gz OLYGLTONYURDLC-JTQLQIEISA-N 0 0 301.364 0.786 10 0 DCAERN CNC(=O)c1ccc(N(CC2CC2)C[C@H]2CN(C)CCO2)nn1 ZINC000278745414 214371146 /nfs/dbraw/zinc/37/11/46/214371146.db2.gz MFTHZLIHWYNQCY-CYBMUJFWSA-N 0 0 319.409 0.383 10 0 DCAERN Cc1nccc(N2CCN(CC3CCS(=O)(=O)CC3)CC2)n1 ZINC000273768013 282187096 /nfs/dbraw/zinc/18/70/96/282187096.db2.gz VLSHDKAXVLRDDH-UHFFFAOYSA-N 0 0 324.450 0.732 10 0 DCAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)[C@H]1CCCO1 ZINC000087896334 185235755 /nfs/dbraw/zinc/23/57/55/185235755.db2.gz NMHGLLJEPUWEAO-PRHODGIISA-N 0 0 316.354 0.770 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n(C)n1 ZINC000155759121 529538825 /nfs/dbraw/zinc/53/88/25/529538825.db2.gz DWXLXHQIXKXBTC-ZJUUUORDSA-N 0 0 321.381 0.033 10 0 DCAERN C[C@H](CCCO)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000088499471 185254053 /nfs/dbraw/zinc/25/40/53/185254053.db2.gz HHPCMOMDIVMUGK-OLZOCXBDSA-N 0 0 307.398 0.906 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2cn(C)cn2)C1 ZINC000088694421 185262341 /nfs/dbraw/zinc/26/23/41/185262341.db2.gz IHFUZIOBQJGBPH-GHMZBOCLSA-N 0 0 314.411 0.345 10 0 DCAERN COCCN1CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1=O ZINC000092590617 185327893 /nfs/dbraw/zinc/32/78/93/185327893.db2.gz KGFSAUQAILKCMP-ZDUSSCGKSA-N 0 0 308.382 0.378 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000092771179 185339506 /nfs/dbraw/zinc/33/95/06/185339506.db2.gz QKQDRXNCODRPOI-AAEUAGOBSA-N 0 0 311.407 0.725 10 0 DCAERN O=S(=O)(CCCc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181431764 199295497 /nfs/dbraw/zinc/29/54/97/199295497.db2.gz RDXGSTWMVHDRRS-QWHCGFSZSA-N 0 0 318.416 0.192 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)CC2 ZINC000246736704 529751433 /nfs/dbraw/zinc/75/14/33/529751433.db2.gz IEXJPIOAKSGHSN-GRYCIOLGSA-N 0 0 307.398 0.758 10 0 DCAERN CSCC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181566962 199318562 /nfs/dbraw/zinc/31/85/62/199318562.db2.gz WDDVYVYTUXHWME-UHFFFAOYSA-N 0 0 308.469 0.916 10 0 DCAERN CCc1nn(C)c(OC)c1CNS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000190393523 529768173 /nfs/dbraw/zinc/76/81/73/529768173.db2.gz WPXZJAZAPKXGBV-CABZTGNLSA-N 0 0 317.411 0.588 10 0 DCAERN O=C(NCCCOCCO)NCc1ccc(CO)c(F)c1 ZINC000181541964 199315030 /nfs/dbraw/zinc/31/50/30/199315030.db2.gz SWTPZHLQWUVEJI-UHFFFAOYSA-N 0 0 300.330 0.516 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015727 185397119 /nfs/dbraw/zinc/39/71/19/185397119.db2.gz CICSSJDBJWKIKX-OCCSQVGLSA-N 0 0 312.391 0.901 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)NCC1(CCO)CC1 ZINC000186542073 529795432 /nfs/dbraw/zinc/79/54/32/529795432.db2.gz OYTXQOMNYHOGFG-UHFFFAOYSA-N 0 0 305.378 0.970 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000190206098 529846668 /nfs/dbraw/zinc/84/66/68/529846668.db2.gz JKVAFPUINRKNGO-CMPLNLGQSA-N 0 0 304.412 0.342 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000178430708 529897495 /nfs/dbraw/zinc/89/74/95/529897495.db2.gz BRUSUVPZHHCUHF-PWSUYJOCSA-N 0 0 312.414 0.456 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCCc3c2cnn3C)CC(=O)N1C ZINC000282606278 290722849 /nfs/dbraw/zinc/72/28/49/290722849.db2.gz QRXHGLQJPDELEZ-JQWIXIFHSA-N 0 0 305.382 0.670 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(F)cc1F ZINC000106918823 185463586 /nfs/dbraw/zinc/46/35/86/185463586.db2.gz NXJCBFMEIYAGBL-MRVPVSSYSA-N 0 0 322.333 0.398 10 0 DCAERN COCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000109136214 185553615 /nfs/dbraw/zinc/55/36/15/185553615.db2.gz PCERSHFPKXCVJR-CYBMUJFWSA-N 0 0 314.407 0.252 10 0 DCAERN C[C@@H](C(=O)N1CCN2CCOC[C@H]2C1)n1nnnc1C(C)(C)C ZINC000371864662 295736265 /nfs/dbraw/zinc/73/62/65/295736265.db2.gz NCNIQDGZHCFGKG-NWDGAFQWSA-N 0 0 322.413 0.075 10 0 DCAERN C[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000181804780 199354684 /nfs/dbraw/zinc/35/46/84/199354684.db2.gz GSABXHGMUCIDTG-WCQYABFASA-N 0 0 306.366 0.647 10 0 DCAERN Cc1csc(C2(NC(=O)CN3CCOCC3=O)CCC2)n1 ZINC000279858874 215185755 /nfs/dbraw/zinc/18/57/55/215185755.db2.gz PRQDHCGCSLXHEU-UHFFFAOYSA-N 0 0 309.391 0.806 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCC(=O)NCC2CC2)cn1 ZINC000182021677 199375362 /nfs/dbraw/zinc/37/53/62/199375362.db2.gz RBONYMKFRZVEFK-CYBMUJFWSA-N 0 0 305.382 0.793 10 0 DCAERN Cn1ccnc1[C@@H]1CN(Cc2nnnn2C2CC2)CCN1C ZINC000279918072 215236825 /nfs/dbraw/zinc/23/68/25/215236825.db2.gz FGHCWEDUWHUXBS-LBPRGKRZSA-N 0 0 302.386 0.230 10 0 DCAERN O=C(Nc1ccc(CCc2ccccn2)cc1)[C@H]1CNCC(=O)N1 ZINC000071765353 191027457 /nfs/dbraw/zinc/02/74/57/191027457.db2.gz AMVWQKODMGIQOL-MRXNPFEDSA-N 0 0 324.384 0.893 10 0 DCAERN CNC(=O)c1ccc(N(CCO)Cc2ccccc2OC)nn1 ZINC000080605701 192172124 /nfs/dbraw/zinc/17/21/24/192172124.db2.gz IOXMVOYSMLZSCN-UHFFFAOYSA-N 0 0 316.361 0.844 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000141513800 186029933 /nfs/dbraw/zinc/02/99/33/186029933.db2.gz PGJIUQXTBRMIEI-XJKCOSOUSA-N 0 0 319.409 0.930 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000150323033 186056664 /nfs/dbraw/zinc/05/66/64/186056664.db2.gz YIABOXAQODKEHR-WCBMZHEXSA-N 0 0 302.334 0.582 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCn1cncn1)CC2 ZINC000150712653 186059100 /nfs/dbraw/zinc/05/91/00/186059100.db2.gz BWTCJMFRBFKKOK-LLVKDONJSA-N 0 0 303.370 0.514 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171486502 186167453 /nfs/dbraw/zinc/16/74/53/186167453.db2.gz URMKNLBWLFAFQK-KOLCDFICSA-N 0 0 300.384 0.021 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C1CCOCC1 ZINC000177871969 186197045 /nfs/dbraw/zinc/19/70/45/186197045.db2.gz DZNVJYMQFROGLX-SNVBAGLBSA-N 0 0 312.391 0.879 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1nnc2n1CCCCC2 ZINC000171361835 197923862 /nfs/dbraw/zinc/92/38/62/197923862.db2.gz IPVDPIOQOOTTJS-QWRGUYRKSA-N 0 0 306.366 0.472 10 0 DCAERN CCOc1ccnc(N2CCN(CCOCCOC)CC2)n1 ZINC000175650017 186184467 /nfs/dbraw/zinc/18/44/67/186184467.db2.gz XQOJWDNXVFCYKF-UHFFFAOYSA-N 0 0 310.398 0.660 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 ZINC000177909260 186202478 /nfs/dbraw/zinc/20/24/78/186202478.db2.gz YSLHAICMKKYUTB-LBPRGKRZSA-N 0 0 323.368 0.679 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172200400 198057341 /nfs/dbraw/zinc/05/73/41/198057341.db2.gz GPOHOVCPZQLZJD-VXGBXAGGSA-N 0 0 314.411 0.400 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 ZINC000172352820 198084660 /nfs/dbraw/zinc/08/46/60/198084660.db2.gz KJWKOUJTBINXSD-VXGBXAGGSA-N 0 0 314.411 0.409 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C1CC1 ZINC000172507970 198107104 /nfs/dbraw/zinc/10/71/04/198107104.db2.gz SFGAJQPCMKLGHC-MRVPVSSYSA-N 0 0 318.312 0.655 10 0 DCAERN COC[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172713764 198140226 /nfs/dbraw/zinc/14/02/26/198140226.db2.gz IESSRVFUGQUWEW-UXIGCNINSA-N 0 0 305.378 1.000 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CNC(=O)C3)C2=O)cc1 ZINC000172734479 198142532 /nfs/dbraw/zinc/14/25/32/198142532.db2.gz UQHZEEXMZDSUQN-TZMCWYRMSA-N 0 0 315.373 0.743 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000072616252 191202245 /nfs/dbraw/zinc/20/22/45/191202245.db2.gz FVPGEAKLJFKMCN-UHFFFAOYSA-N 0 0 320.393 0.994 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000072618478 191203068 /nfs/dbraw/zinc/20/30/68/191203068.db2.gz GZLCTFKIWXYSIM-GWCFXTLKSA-N 0 0 318.377 0.650 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000298207576 303270020 /nfs/dbraw/zinc/27/00/20/303270020.db2.gz JJKHXAQTYUPJCY-LLVKDONJSA-N 0 0 320.397 0.379 10 0 DCAERN C[C@@H]1c2cccn2CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822016 191232843 /nfs/dbraw/zinc/23/28/43/191232843.db2.gz TUDNRFDHGVEKST-OLZOCXBDSA-N 0 0 304.394 0.589 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CC1 ZINC000173110224 198185545 /nfs/dbraw/zinc/18/55/45/198185545.db2.gz LIDSVTPXNITJIH-SECBINFHSA-N 0 0 310.375 0.474 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173435206 198214718 /nfs/dbraw/zinc/21/47/18/198214718.db2.gz CHQOBXZDWMAEJM-LBPRGKRZSA-N 0 0 308.386 0.397 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n[nH]2)ncn1 ZINC000173446787 198216019 /nfs/dbraw/zinc/21/60/19/198216019.db2.gz MKYKPZPMUMPTHR-LLVKDONJSA-N 0 0 315.381 0.949 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC000173531276 198224255 /nfs/dbraw/zinc/22/42/55/198224255.db2.gz YJDLSVKYYHNPCJ-NSHDSACASA-N 0 0 318.345 0.657 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000173963158 198274221 /nfs/dbraw/zinc/27/42/21/198274221.db2.gz UXTMAKKZCLDQTM-CMPLNLGQSA-N 0 0 322.365 0.101 10 0 DCAERN COCCn1ccc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)n1 ZINC000174097698 198291631 /nfs/dbraw/zinc/29/16/31/198291631.db2.gz FCSPPHCTEHIQPL-GFCCVEGCSA-N 0 0 318.381 0.789 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCN(CCOC(C)C)CC2)c1 ZINC000174270278 198313092 /nfs/dbraw/zinc/31/30/92/198313092.db2.gz HDJAXYJBTUKHJG-UHFFFAOYSA-N 0 0 323.441 0.944 10 0 DCAERN COC[C@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)CCO1 ZINC000174514940 198344310 /nfs/dbraw/zinc/34/43/10/198344310.db2.gz CCEPYWRXHTUTTB-CYBMUJFWSA-N 0 0 312.341 0.875 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNc2nccn(C)c2=O)ncn1 ZINC000174730782 198377174 /nfs/dbraw/zinc/37/71/74/198377174.db2.gz RVVUXDMUDCXQER-NSHDSACASA-N 0 0 315.381 0.693 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCCC[C@H]1O ZINC000252846494 291015164 /nfs/dbraw/zinc/01/51/64/291015164.db2.gz CQMHRWMNQZZYGW-WDEREUQCSA-N 0 0 308.400 0.009 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105895202 291038871 /nfs/dbraw/zinc/03/88/71/291038871.db2.gz MRHZVWGLDWDZHM-ZDUSSCGKSA-N 0 0 322.409 0.853 10 0 DCAERN COC(=O)c1cccc(NC(=O)CSc2nncn2N)c1 ZINC000005580920 181260010 /nfs/dbraw/zinc/26/00/10/181260010.db2.gz NFAZKQFWDMKIGT-UHFFFAOYSA-N 0 0 307.335 0.509 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCCCCC1=O ZINC000081585670 192297664 /nfs/dbraw/zinc/29/76/64/192297664.db2.gz AIEGMEHEQIAQOS-GFCCVEGCSA-N 0 0 305.382 0.940 10 0 DCAERN CN1C[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1=O ZINC000298315314 283190920 /nfs/dbraw/zinc/19/09/20/283190920.db2.gz TZXGDRXMNVFALP-CMPLNLGQSA-N 0 0 322.386 0.500 10 0 DCAERN C[C@H](CNC(=O)NCc1ccn2ccnc2c1)N1CCOCC1 ZINC000177920859 198789252 /nfs/dbraw/zinc/78/92/52/198789252.db2.gz JQYJZGGIIHMRDB-CYBMUJFWSA-N 0 0 317.393 0.854 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179235990 199003576 /nfs/dbraw/zinc/00/35/76/199003576.db2.gz VJSIZLZMJPYOKF-BXUZGUMPSA-N 0 0 316.357 0.950 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(CO)c(F)c1 ZINC000179267593 199006791 /nfs/dbraw/zinc/00/67/91/199006791.db2.gz GIMDTHJDXAPJJA-CYBMUJFWSA-N 0 0 309.341 0.738 10 0 DCAERN NC(=O)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000174926135 283305671 /nfs/dbraw/zinc/30/56/71/283305671.db2.gz DYJHSJYMHKWBQH-UONOGXRCSA-N 0 0 324.425 0.289 10 0 DCAERN NC(=O)N[C@H]1CCN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000408024062 283308073 /nfs/dbraw/zinc/30/80/73/283308073.db2.gz XQLMBIJHEFSWNN-ZJUUUORDSA-N 0 0 322.331 0.530 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Br)cs1 ZINC000180207917 199130759 /nfs/dbraw/zinc/13/07/59/199130759.db2.gz SINOALQJRFJXQX-SSDOTTSWSA-N 0 0 319.180 0.837 10 0 DCAERN C[C@H](CNC(=O)N(C)[C@H](C)c1cnn(C)c1)N1CCOCC1 ZINC000180322973 199145760 /nfs/dbraw/zinc/14/57/60/199145760.db2.gz ZKPUVOYLXQFLPT-CHWSQXEVSA-N 0 0 309.414 0.843 10 0 DCAERN CC[C@@H](COC)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180575769 199178783 /nfs/dbraw/zinc/17/87/83/199178783.db2.gz CAPCYYAAQITZQR-JTQLQIEISA-N 0 0 317.349 0.951 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180602167 199182929 /nfs/dbraw/zinc/18/29/29/199182929.db2.gz PSAJBZOXVNKEQP-ZJUUUORDSA-N 0 0 317.349 0.543 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ncncc2Cl)O1 ZINC000180703482 199198984 /nfs/dbraw/zinc/19/89/84/199198984.db2.gz IDDVYWRMUCFELA-WPRPVWTQSA-N 0 0 312.757 0.496 10 0 DCAERN COc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000180737454 199202945 /nfs/dbraw/zinc/20/29/45/199202945.db2.gz CZEGUCOUGACQMZ-LBPRGKRZSA-N 0 0 317.349 0.922 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc(Cl)cn1 ZINC000180911370 199226508 /nfs/dbraw/zinc/22/65/08/199226508.db2.gz OUYUNGAITQDGDY-QMMMGPOBSA-N 0 0 305.787 0.967 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000151510650 237000266 /nfs/dbraw/zinc/00/02/66/237000266.db2.gz LEZAJFKXGQYPLK-KBPBESRZSA-N 0 0 323.418 0.446 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)CCS1(=O)=O ZINC000159180650 237071214 /nfs/dbraw/zinc/07/12/14/237071214.db2.gz AZISDXXWFYVBCE-SNVBAGLBSA-N 0 0 321.395 0.774 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000176108781 237192565 /nfs/dbraw/zinc/19/25/65/237192565.db2.gz AMYNYSKIXQMDMA-RYUDHWBXSA-N 0 0 303.428 0.852 10 0 DCAERN C[C@H](CN1CCN(CC(F)(F)F)CC1)CS(C)(=O)=O ZINC000176956538 237207470 /nfs/dbraw/zinc/20/74/70/237207470.db2.gz YWVJNXACSWBMFL-SNVBAGLBSA-N 0 0 302.362 0.847 10 0 DCAERN C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCSCC2)C[C@@H]1C ZINC000185856053 237305686 /nfs/dbraw/zinc/30/56/86/237305686.db2.gz SESXZBUBENYUAH-NWDGAFQWSA-N 0 0 301.456 0.979 10 0 DCAERN C[C@@H]1CN(CC(=O)NC(=O)Nc2ccccc2)CCN1CCO ZINC000187659508 237348722 /nfs/dbraw/zinc/34/87/22/237348722.db2.gz MDSRGQPUVVBOEB-CYBMUJFWSA-N 0 0 320.393 0.333 10 0 DCAERN C[C@H](O)CN(C(=O)CCc1nc(C(C)(C)C)no1)[C@@H](C)CO ZINC000189272690 237395301 /nfs/dbraw/zinc/39/53/01/237395301.db2.gz MHSYJCVARUFPIQ-QWRGUYRKSA-N 0 0 313.398 0.890 10 0 DCAERN CO[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CC[C@H]1C ZINC000189309664 237395945 /nfs/dbraw/zinc/39/59/45/237395945.db2.gz XYHUTFYZKJSOKH-YPMHNXCESA-N 0 0 316.427 0.055 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188729544 200295475 /nfs/dbraw/zinc/29/54/75/200295475.db2.gz AYZNJNAQWOCDDC-CQSZACIVSA-N 0 0 312.435 0.823 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000154087580 291210707 /nfs/dbraw/zinc/21/07/07/291210707.db2.gz WPDJJMCSZXNWDZ-CQSZACIVSA-N 0 0 322.409 0.759 10 0 DCAERN NC(=O)NCC(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000154094697 291210771 /nfs/dbraw/zinc/21/07/71/291210771.db2.gz FVZZAVCFPLFVHT-UHFFFAOYSA-N 0 0 306.244 0.264 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1(C)C ZINC000154085623 291211086 /nfs/dbraw/zinc/21/10/86/291211086.db2.gz RYLRLDDICFTATF-ZMLRMANQSA-N 0 0 301.408 0.883 10 0 DCAERN NC(=O)Cn1cc(-c2nc(-c3ccc4c(c3)CCO4)no2)nn1 ZINC000154771350 291215537 /nfs/dbraw/zinc/21/55/37/291215537.db2.gz KDAVPYYZMXSUFJ-UHFFFAOYSA-N 0 0 312.289 0.415 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CCNC(=O)C(C)C ZINC000154762288 291215579 /nfs/dbraw/zinc/21/55/79/291215579.db2.gz MYCIUYSCJBIFBD-UHFFFAOYSA-N 0 0 323.397 0.462 10 0 DCAERN CN(C)c1ncc(NC(=O)NCCCN2CCCC2=O)cn1 ZINC000154977264 291217420 /nfs/dbraw/zinc/21/74/20/291217420.db2.gz JEOFZJSCTFTVRG-UHFFFAOYSA-N 0 0 306.370 0.677 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)C1=O ZINC000155180812 291218034 /nfs/dbraw/zinc/21/80/34/291218034.db2.gz NHLIHMVFOPIWMU-TXEJJXNPSA-N 0 0 324.425 0.648 10 0 DCAERN Cc1cc(S(=O)(=O)NCCOCC(N)=O)c(Cl)cc1F ZINC000156042544 291223174 /nfs/dbraw/zinc/22/31/74/291223174.db2.gz KNDDRFKOQVMNQB-UHFFFAOYSA-N 0 0 324.761 0.568 10 0 DCAERN CCc1cccc(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c1 ZINC000156794231 291225712 /nfs/dbraw/zinc/22/57/12/291225712.db2.gz HCTWJOSEHHUBEY-AWEZNQCLSA-N 0 0 318.373 0.682 10 0 DCAERN CCn1c(N)c(C(=O)CN2C[C@H](C)CC[C@@H]2C)c(=O)[nH]c1=O ZINC000157089039 291226883 /nfs/dbraw/zinc/22/68/83/291226883.db2.gz OUULJNSAXKACDM-ZJUUUORDSA-N 0 0 308.382 0.442 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000287931540 219813364 /nfs/dbraw/zinc/81/33/64/219813364.db2.gz PVIMOFGACIUWRP-DMDPSCGWSA-N 0 0 306.366 0.030 10 0 DCAERN CC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000157790002 291229683 /nfs/dbraw/zinc/22/96/83/291229683.db2.gz MDAMCKYKRZMIRK-QNWHQSFQSA-N 0 0 306.428 0.888 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000157836781 291229738 /nfs/dbraw/zinc/22/97/38/291229738.db2.gz FAUUQMRVKDOCJD-AVGNSLFASA-N 0 0 300.399 0.847 10 0 DCAERN COC[C@H](O)CCNC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000161587793 291242346 /nfs/dbraw/zinc/24/23/46/291242346.db2.gz NFZGTSOIXKCYPG-TZMCWYRMSA-N 0 0 302.415 0.687 10 0 DCAERN O[C@H](Cn1nnnc1/C=C/c1ccccc1)CN1CCOCC1 ZINC000164173295 291247809 /nfs/dbraw/zinc/24/78/09/291247809.db2.gz RZRNFCVRJABSEF-LFAOLKIESA-N 0 0 315.377 0.537 10 0 DCAERN Cn1nccc1CN1C[C@@H](F)C[C@H]1CNCc1csnn1 ZINC000328626241 291259442 /nfs/dbraw/zinc/25/94/42/291259442.db2.gz DXNDQIWACUHMNA-GWCFXTLKSA-N 0 0 310.402 0.974 10 0 DCAERN COCCn1cc([C@H]2[C@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1 ZINC000407975890 239257469 /nfs/dbraw/zinc/25/74/69/239257469.db2.gz PUNFFCQJFXHZEM-YPMHNXCESA-N 0 0 308.382 0.703 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000408101357 283748647 /nfs/dbraw/zinc/74/86/47/283748647.db2.gz LGKDBIVJZSOIHL-HTAVTVPLSA-N 0 0 309.366 0.202 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000408156941 291304257 /nfs/dbraw/zinc/30/42/57/291304257.db2.gz FFAREHJZWAOPNZ-STQMWFEESA-N 0 0 308.378 0.799 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000566713584 291319427 /nfs/dbraw/zinc/31/94/27/291319427.db2.gz HFWBKZPEKGZGBE-GXTWGEPZSA-N 0 0 318.439 0.843 10 0 DCAERN CS(=O)(=O)CCCCNS(=O)(=O)c1ccccc1N ZINC000425180009 240301368 /nfs/dbraw/zinc/30/13/68/240301368.db2.gz RGTJFJKXSYDNIJ-UHFFFAOYSA-N 0 0 306.409 0.372 10 0 DCAERN CN(CCCO)C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C)CCCO ZINC000443002699 240554188 /nfs/dbraw/zinc/55/41/88/240554188.db2.gz PYRYBBZHWFARHN-ZIAGYGMSSA-N 0 0 314.426 0.474 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000091244611 193025972 /nfs/dbraw/zinc/02/59/72/193025972.db2.gz LZALKFUTHNQVJG-NEPJUHHUSA-N 0 0 321.377 0.300 10 0 DCAERN Cc1nn(C)c(C)c1[C@H](C)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091663143 193087366 /nfs/dbraw/zinc/08/73/66/193087366.db2.gz LVCQALNRMJWMRW-JTQLQIEISA-N 0 0 321.425 0.411 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3cc(F)ccc3C2)C1 ZINC000091891565 193122916 /nfs/dbraw/zinc/12/29/16/193122916.db2.gz ORTSTDQOHZGWDJ-AWEZNQCLSA-N 0 0 319.380 0.908 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOc1ccc(F)cc1 ZINC000091784161 193107426 /nfs/dbraw/zinc/10/74/26/193107426.db2.gz KBHKLAVGCAEUAG-ZDUSSCGKSA-N 0 0 310.325 0.697 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@](C)(CC)OC)C1 ZINC000454691845 240805013 /nfs/dbraw/zinc/80/50/13/240805013.db2.gz ZXUFAULQBYCMKK-FZMZJTMJSA-N 0 0 300.403 0.905 10 0 DCAERN COCC(COC)NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000455396394 240844382 /nfs/dbraw/zinc/84/43/82/240844382.db2.gz AGEHVEVFSYVLQO-CQSZACIVSA-N 0 0 321.377 0.753 10 0 DCAERN CNC(=O)C[C@@H](C)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000456513980 240912816 /nfs/dbraw/zinc/91/28/16/240912816.db2.gz QKMODTUBCMRAMC-LLVKDONJSA-N 0 0 301.350 0.586 10 0 DCAERN O=C(NCCOc1ccccc1F)NC[C@H](O)Cn1ccnn1 ZINC000457452448 241007328 /nfs/dbraw/zinc/00/73/28/241007328.db2.gz WGTARZHVZSXKNP-NSHDSACASA-N 0 0 323.328 0.156 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC12COC2 ZINC000457826475 241040765 /nfs/dbraw/zinc/04/07/65/241040765.db2.gz WMZYJRWBSXKUJC-UMSGYPCISA-N 0 0 321.373 0.640 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000457852698 241043222 /nfs/dbraw/zinc/04/32/22/241043222.db2.gz IFTHICZIQYHDSB-PWSUYJOCSA-N 0 0 314.769 0.843 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000457852695 241043524 /nfs/dbraw/zinc/04/35/24/241043524.db2.gz IFTHICZIQYHDSB-CMPLNLGQSA-N 0 0 314.769 0.843 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CCCOCC1 ZINC000313263302 291384344 /nfs/dbraw/zinc/38/43/44/291384344.db2.gz ZETNAGWNEDUIDE-UTUOFQBUSA-N 0 0 305.396 0.817 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000366504224 291384514 /nfs/dbraw/zinc/38/45/14/291384514.db2.gz JRAOJTDCALZCHD-VEGXAWMVSA-N 0 0 317.407 0.815 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCc3ccccc3C2=O)CC(=O)N1C ZINC000282048994 216722388 /nfs/dbraw/zinc/72/23/88/216722388.db2.gz AKRVFWJLXFDPTM-LBPRGKRZSA-N 0 0 315.373 0.374 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C2(O)CCSCC2)C[C@H]1C ZINC000408316830 284027183 /nfs/dbraw/zinc/02/71/83/284027183.db2.gz DNQDEAGVEOGRMU-GHMZBOCLSA-N 0 0 301.408 0.902 10 0 DCAERN CC(C)c1cccc(NC(=O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000092229855 193177525 /nfs/dbraw/zinc/17/75/25/193177525.db2.gz PHAVZTYRIJCKEV-AWEZNQCLSA-N 0 0 305.378 0.935 10 0 DCAERN CCC1(CC)CN(CCCC(=O)NC(N)=O)CC[S@@]1=O ZINC000185239009 261119657 /nfs/dbraw/zinc/11/96/57/261119657.db2.gz XSCJRZHTWSXJDC-FQEVSTJZSA-N 0 0 303.428 0.585 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1ncsc1Br ZINC000569000277 291457703 /nfs/dbraw/zinc/45/77/03/291457703.db2.gz KZTHEZMLGMQTFR-BYPYZUCNSA-N 0 0 309.141 0.169 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC000408272862 284204275 /nfs/dbraw/zinc/20/42/75/284204275.db2.gz KFYSHBHNRFWJAV-KSFQGOMNSA-N 0 0 308.378 0.701 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902197 284206974 /nfs/dbraw/zinc/20/69/74/284206974.db2.gz NUFVAEKODGDULR-LOWDOPEQSA-N 0 0 301.408 0.695 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000286842714 284208802 /nfs/dbraw/zinc/20/88/02/284208802.db2.gz SSXAOPXOBQRCPM-DEKYYXRVSA-N 0 0 318.377 0.710 10 0 DCAERN CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2cccnc2)C1 ZINC000096188675 193568879 /nfs/dbraw/zinc/56/88/79/193568879.db2.gz BNQZEIZNWBTQPQ-CYBMUJFWSA-N 0 0 313.361 0.686 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CC[C@H]3C(=O)NCCO[C@H]3C2)c1 ZINC000096208928 193582458 /nfs/dbraw/zinc/58/24/58/193582458.db2.gz KSRFIOMEAKFXAY-KGLIPLIRSA-N 0 0 324.402 0.521 10 0 DCAERN CC[C@@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccncc1 ZINC000009782384 181640840 /nfs/dbraw/zinc/64/08/40/181640840.db2.gz CIMLPANSXLWXKV-YPMHNXCESA-N 0 0 319.361 0.754 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)C(=O)N1CCN(C2CC2)CC1 ZINC000571684322 291527766 /nfs/dbraw/zinc/52/77/66/291527766.db2.gz HHQCIIVOLGULFZ-RBSFLKMASA-N 0 0 321.421 0.367 10 0 DCAERN Cc1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1S(C)(=O)=O ZINC000282508709 217049752 /nfs/dbraw/zinc/04/97/52/217049752.db2.gz XVMZSUFLDFSJIU-LLVKDONJSA-N 0 0 324.402 0.701 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)[nH]n1 ZINC000282554066 217085142 /nfs/dbraw/zinc/08/51/42/217085142.db2.gz XLBHSTQUQXSICQ-ZIAGYGMSSA-N 0 0 321.425 0.938 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282608532 217123372 /nfs/dbraw/zinc/12/33/72/217123372.db2.gz DVXFCAACOHCZBR-CVEARBPZSA-N 0 0 320.393 0.410 10 0 DCAERN Cc1cc(NC(=O)CN2CC(=O)NC2=O)ccc1C(=O)N(C)C ZINC000265861472 204931028 /nfs/dbraw/zinc/93/10/28/204931028.db2.gz GOIPSIJKNZTVEF-UHFFFAOYSA-N 0 0 318.333 0.187 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1N1CCOCC1 ZINC000266109366 205103961 /nfs/dbraw/zinc/10/39/61/205103961.db2.gz AHLAOUGZDANORZ-TZMCWYRMSA-N 0 0 315.377 0.522 10 0 DCAERN CCN(C1CCN(C(=O)[C@@]2(C)CCCO2)CC1)S(C)(=O)=O ZINC000153453907 284375440 /nfs/dbraw/zinc/37/54/40/284375440.db2.gz VNHJLWINUWWHHT-CQSZACIVSA-N 0 0 318.439 0.828 10 0 DCAERN Cn1ccc(CC(=O)N2CCC[C@H](Cn3cc(CO)nn3)C2)c1 ZINC000019732577 182139683 /nfs/dbraw/zinc/13/96/83/182139683.db2.gz QLQILHQOWCEDON-AWEZNQCLSA-N 0 0 317.393 0.590 10 0 DCAERN Nc1nnc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000020202526 182197292 /nfs/dbraw/zinc/19/72/92/182197292.db2.gz YQKIOXRJVXPUKL-SECBINFHSA-N 0 0 317.374 0.790 10 0 DCAERN C[C@H](Oc1ccc(Br)cc1CO)C(=O)NC(N)=O ZINC000020483061 182223004 /nfs/dbraw/zinc/22/30/04/182223004.db2.gz GVYLHGJYUCLRNY-LURJTMIESA-N 0 0 317.139 0.904 10 0 DCAERN Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H](O)CO)CC1 ZINC000022056917 182307048 /nfs/dbraw/zinc/30/70/48/182307048.db2.gz LDEJNELBMSFPDJ-OAHLLOKOSA-N 0 0 321.421 0.213 10 0 in-vitro DCAERN CCc1nc(C(C)(C)NC(=O)Cn2nnnc2C(C)C)no1 ZINC000573189838 291615980 /nfs/dbraw/zinc/61/59/80/291615980.db2.gz SXKNGQLJMPDALF-UHFFFAOYSA-N 0 0 307.358 0.793 10 0 DCAERN O=C(CN1CCCCC1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000030557236 182592481 /nfs/dbraw/zinc/59/24/81/182592481.db2.gz IUOMXWWFINZZIH-UHFFFAOYSA-N 0 0 318.377 0.869 10 0 DCAERN Cn1nccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000030651726 182594520 /nfs/dbraw/zinc/59/45/20/182594520.db2.gz ZIGOJKKSPYRCAL-UHFFFAOYSA-N 0 0 307.375 0.895 10 0 DCAERN CCOC(=O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037563842 182908838 /nfs/dbraw/zinc/90/88/38/182908838.db2.gz AQFYTVSAFXLFAV-UHFFFAOYSA-N 0 0 317.754 0.829 10 0 DCAERN C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000330021456 296254552 /nfs/dbraw/zinc/25/45/52/296254552.db2.gz XVWMUHDZTQHVPG-GARJFASQSA-N 0 0 302.396 0.271 10 0 DCAERN COC(=O)c1cc(Nc2ncnc(N)c2N)cc(C(=O)OC)c1 ZINC000040705593 183121294 /nfs/dbraw/zinc/12/12/94/183121294.db2.gz JUKHQIJKQMNGPC-UHFFFAOYSA-N 0 0 317.305 0.958 10 0 DCAERN COCCN(CCOC)c1ncnc(-n2nc(C)cc2C)c1N ZINC000040752088 183128873 /nfs/dbraw/zinc/12/88/73/183128873.db2.gz UMVZEZGBOUEMEW-UHFFFAOYSA-N 0 0 320.397 0.961 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2N)CC1 ZINC000041662846 183214034 /nfs/dbraw/zinc/21/40/34/183214034.db2.gz NVYFRZXYAKKWFP-UHFFFAOYSA-N 0 0 312.395 0.305 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000042483553 183276323 /nfs/dbraw/zinc/27/63/23/183276323.db2.gz VNUINAGRILWXDN-VIFPVBQESA-N 0 0 308.787 0.550 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)Cc2ccccc2)C1 ZINC000104797883 194041549 /nfs/dbraw/zinc/04/15/49/194041549.db2.gz QOKWNQYWUXXOCT-HUUCEWRRSA-N 0 0 307.394 0.220 10 0 DCAERN O=C(CCNC(=O)N1CCN(C2CC2)CC1)N1CCCCC1 ZINC000105123561 194076754 /nfs/dbraw/zinc/07/67/54/194076754.db2.gz KEEHBHKHLQMVKE-UHFFFAOYSA-N 0 0 308.426 0.879 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)N2CCNC(=O)CC2)c1 ZINC000105149427 194079467 /nfs/dbraw/zinc/07/94/67/194079467.db2.gz ZJYKVFINXSZWRK-UHFFFAOYSA-N 0 0 304.350 0.078 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000183743761 284746704 /nfs/dbraw/zinc/74/67/04/284746704.db2.gz HFBWVFDSRXOCME-JTQLQIEISA-N 0 0 304.372 0.338 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cn1 ZINC000105830796 194140643 /nfs/dbraw/zinc/14/06/43/194140643.db2.gz HPBILTNXKHZDPY-AWEZNQCLSA-N 0 0 319.409 0.073 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC(c2nncn2CC)CC1 ZINC000105929712 194173235 /nfs/dbraw/zinc/17/32/35/194173235.db2.gz ZBVGOGXLNXUBFN-UHFFFAOYSA-N 0 0 308.386 0.323 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000106393389 194205577 /nfs/dbraw/zinc/20/55/77/194205577.db2.gz YIPLIPBGDFVVJV-OLZOCXBDSA-N 0 0 314.430 0.129 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000106686913 194243890 /nfs/dbraw/zinc/24/38/90/194243890.db2.gz QCKVYWNSNLGNFW-CYBMUJFWSA-N 0 0 314.345 0.134 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)nc(C(F)(F)F)n1 ZINC000286596552 291744930 /nfs/dbraw/zinc/74/49/30/291744930.db2.gz APILHRCTSMWIQB-SVRRBLITSA-N 0 0 320.246 0.842 10 0 DCAERN CCNc1ncccc1S(=O)(=O)N1CCS(=O)CC1 ZINC000050671295 183797530 /nfs/dbraw/zinc/79/75/30/183797530.db2.gz FOSPSJQKQGBATG-UHFFFAOYSA-N 0 0 303.409 0.266 10 0 DCAERN CN(C(=O)c1cnc(N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000050704132 183800945 /nfs/dbraw/zinc/80/09/45/183800945.db2.gz NNEYIFACZMAOFQ-QMMMGPOBSA-N 0 0 303.771 0.576 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](O)C1 ZINC000366514274 295545625 /nfs/dbraw/zinc/54/56/25/295545625.db2.gz CRGVRXXSNCDXHD-QJPTWQEYSA-N 0 0 304.412 0.509 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000110703436 194351715 /nfs/dbraw/zinc/35/17/15/194351715.db2.gz GECLOZZYQHAAER-CQSZACIVSA-N 0 0 317.389 0.770 10 0 DCAERN CCN1C[C@H](C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000110787377 194358355 /nfs/dbraw/zinc/35/83/55/194358355.db2.gz FIANRYFVSOQGTF-GFCCVEGCSA-N 0 0 314.349 0.351 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)on1 ZINC000175002369 291760571 /nfs/dbraw/zinc/76/05/71/291760571.db2.gz DAOGJXROUZENAE-LLVKDONJSA-N 0 0 317.349 0.950 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000111050345 194387824 /nfs/dbraw/zinc/38/78/24/194387824.db2.gz QCBWVBJLTGXMNW-ZIAGYGMSSA-N 0 0 303.362 0.159 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)C1 ZINC000056100493 184004821 /nfs/dbraw/zinc/00/48/21/184004821.db2.gz OPLIGEKHFTVVEH-XQHKEYJVSA-N 0 0 317.455 0.795 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCOC)CC2)n1 ZINC000112130394 194434232 /nfs/dbraw/zinc/43/42/32/194434232.db2.gz DVPZGUHLPQJPLD-LLVKDONJSA-N 0 0 311.386 0.667 10 0 DCAERN COCCn1cc(S(=O)(=O)N2CCOCC[C@H]2C)cn1 ZINC000362262108 262016217 /nfs/dbraw/zinc/01/62/17/262016217.db2.gz ROCOTRSULBMWIA-LLVKDONJSA-N 0 0 303.384 0.329 10 0 DCAERN NC(=S)c1ccccc1S(=O)(=O)N1CCCOCC1 ZINC000061932491 184196744 /nfs/dbraw/zinc/19/67/44/184196744.db2.gz OTBYVHURCAICBW-UHFFFAOYSA-N 0 0 300.405 0.732 10 0 DCAERN Cc1nnc(-c2coc(S(=O)(=O)N3CCN(C)CC3)c2)o1 ZINC000065246503 184318181 /nfs/dbraw/zinc/31/81/81/184318181.db2.gz YFRFSQUQLBYGOX-UHFFFAOYSA-N 0 0 312.351 0.574 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112654218 194497417 /nfs/dbraw/zinc/49/74/17/194497417.db2.gz TYUQEXBSSGEJNK-ZDUSSCGKSA-N 0 0 313.361 0.725 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457702440 535471564 /nfs/dbraw/zinc/47/15/64/535471564.db2.gz FLDNVKAODAFZMO-GFCCVEGCSA-N 0 0 309.318 0.435 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000333155445 252687601 /nfs/dbraw/zinc/68/76/01/252687601.db2.gz MJMLSQZYQNZMIP-APPZFPTMSA-N 0 0 303.302 0.350 10 0 DCAERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cnnn1C ZINC000333340492 252708597 /nfs/dbraw/zinc/70/85/97/252708597.db2.gz SSPMPLPNFVNQCF-YPMHNXCESA-N 0 0 322.390 0.966 10 0 DCAERN CCC(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000333709040 252754640 /nfs/dbraw/zinc/75/46/40/252754640.db2.gz ICKWIIPTSIINQQ-UONOGXRCSA-N 0 0 309.410 0.668 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000338789050 291844427 /nfs/dbraw/zinc/84/44/27/291844427.db2.gz QFXNCRMHBUFTAI-RYUDHWBXSA-N 0 0 323.393 0.782 10 0 DCAERN Cc1cc(CS(=O)(=O)NCC[C@H](O)C(F)(F)F)no1 ZINC000340852425 253314609 /nfs/dbraw/zinc/31/46/09/253314609.db2.gz ZNZABUMFHINTFW-QMMMGPOBSA-N 0 0 302.274 0.716 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)NCc2cccs2)n1 ZINC000341110883 253345231 /nfs/dbraw/zinc/34/52/31/253345231.db2.gz VAQOKQHOAJXVLR-CMPLNLGQSA-N 0 0 322.390 0.864 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)CC1 ZINC000341493060 253386350 /nfs/dbraw/zinc/38/63/50/253386350.db2.gz VIKCJRZABDHWAZ-KGLIPLIRSA-N 0 0 324.425 0.731 10 0 DCAERN COCCOc1cccc(CN2CCO[C@@H](C)[C@@H]2C(N)=O)c1 ZINC000344826069 253838226 /nfs/dbraw/zinc/83/82/26/253838226.db2.gz KLZZFTZEZVSLJI-SWLSCSKDSA-N 0 0 308.378 0.786 10 0 DCAERN C[C@@H](NC(=O)N1CCC([C@H](C)O)CC1)[C@@H](C)N1CCOCC1 ZINC000159203651 533115664 /nfs/dbraw/zinc/11/56/64/533115664.db2.gz KZVQFFSYDOPLFS-MCIONIFRSA-N 0 0 313.442 0.898 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)on1 ZINC000346161148 254017025 /nfs/dbraw/zinc/01/70/25/254017025.db2.gz WZDPGAVETZTKIJ-FFVOIRBGSA-N 0 0 302.352 0.738 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187203646 220457019 /nfs/dbraw/zinc/45/70/19/220457019.db2.gz TZTRVVUMKMFGML-KXMPLOMGSA-N 0 0 317.345 0.133 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000347563548 254168017 /nfs/dbraw/zinc/16/80/17/254168017.db2.gz HKFZNLNFYGLNDL-WDEREUQCSA-N 0 0 300.380 0.385 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2C)c1 ZINC000351049675 254332633 /nfs/dbraw/zinc/33/26/33/254332633.db2.gz BSJDKUTZGKCPMR-IINYFYTJSA-N 0 0 319.361 0.590 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@H](CO)CN1CCOCC1 ZINC000351484112 254338273 /nfs/dbraw/zinc/33/82/73/254338273.db2.gz QOMBMPCCOWIRSF-ZFWWWQNUSA-N 0 0 314.426 0.581 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000349978799 254306785 /nfs/dbraw/zinc/30/67/85/254306785.db2.gz UTCSFLCTEVWREI-ZCFIWIBFSA-N 0 0 321.708 0.665 10 0 DCAERN C[C@H](CNC(=O)c1ccc(OC(F)F)cc1)S(N)(=O)=O ZINC000350620401 254319992 /nfs/dbraw/zinc/31/99/92/254319992.db2.gz NJJZBUZKDOILRK-SSDOTTSWSA-N 0 0 308.306 0.695 10 0 DCAERN C[C@@H](CNC(=O)c1ccncc1Br)S(N)(=O)=O ZINC000350627512 254321118 /nfs/dbraw/zinc/32/11/18/254321118.db2.gz FCLSHWLYETYZHB-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN C[C@H](CNC(=O)CCCOc1ccccc1)S(N)(=O)=O ZINC000350628064 254321346 /nfs/dbraw/zinc/32/13/46/254321346.db2.gz HNOGZKGRDYPYDK-LLVKDONJSA-N 0 0 300.380 0.639 10 0 DCAERN Cc1ccccc1SCC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350629920 254321716 /nfs/dbraw/zinc/32/17/16/254321716.db2.gz UIPPCZALMBBPEA-SNVBAGLBSA-N 0 0 302.421 0.880 10 0 DCAERN Cn1ccnc1CN1C[C@H](F)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000351632902 254355013 /nfs/dbraw/zinc/35/50/13/254355013.db2.gz KXQMISNJGASUMJ-FRRDWIJNSA-N 0 0 310.373 0.628 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000353248828 254449458 /nfs/dbraw/zinc/44/94/58/254449458.db2.gz LEDWLKOIBUFZLT-HRHAQSILSA-N 0 0 307.398 0.782 10 0 DCAERN CNC(=O)NCCC(=O)N(C)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000353725184 254466942 /nfs/dbraw/zinc/46/69/42/254466942.db2.gz WCSCEJMWAWFDFC-TZMCWYRMSA-N 0 0 306.366 0.689 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)NCCN1CCOCC1 ZINC000187820788 533144929 /nfs/dbraw/zinc/14/49/29/533144929.db2.gz WHOZBINPZZKYRV-LBPRGKRZSA-N 0 0 308.382 0.783 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000289040120 220644473 /nfs/dbraw/zinc/64/44/73/220644473.db2.gz XECHYECXSFEFNG-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000185031053 296409274 /nfs/dbraw/zinc/40/92/74/296409274.db2.gz BKAMKLUOZDQIIN-RKDXNWHRSA-N 0 0 302.318 0.715 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[C@H](C)O)cc1 ZINC000120743387 195228876 /nfs/dbraw/zinc/22/88/76/195228876.db2.gz FZWANTSFDBATLR-MNOVXSKESA-N 0 0 314.407 0.732 10 0 DCAERN C[C@@H](C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)c1ccccc1 ZINC000276658167 533212058 /nfs/dbraw/zinc/21/20/58/533212058.db2.gz YPLQLHQJMFQQNC-HIFRSBDPSA-N 0 0 319.405 0.435 10 0 DCAERN CCCS(=O)(=O)N1CC[C@H]2CN(C(C)=O)CCO[C@H]2C1 ZINC000249689786 257107352 /nfs/dbraw/zinc/10/73/52/257107352.db2.gz JUUAZHJPCAPEQW-STQMWFEESA-N 0 0 304.412 0.295 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2c1cnn2C ZINC000248016680 257111319 /nfs/dbraw/zinc/11/13/19/257111319.db2.gz GOFGWSFGZKUAPL-LLVKDONJSA-N 0 0 322.390 0.750 10 0 DCAERN CC(=O)N1CC[C@]2(C(=O)N3CCCC3)CCN(C(C)=O)CC[C@H]12 ZINC000247958447 257112770 /nfs/dbraw/zinc/11/27/70/257112770.db2.gz UGKWGCVCZJRZSI-DOTOQJQBSA-N 0 0 321.421 0.858 10 0 DCAERN COC[C@H]1CCS(=O)(=O)C12CN(c1nnc(C)s1)C2 ZINC000247994285 257113058 /nfs/dbraw/zinc/11/30/58/257113058.db2.gz CAZWEIIVYNWYMV-SECBINFHSA-N 0 0 303.409 0.486 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247962284 257113165 /nfs/dbraw/zinc/11/31/65/257113165.db2.gz RATVVZQWECCBII-ZDUSSCGKSA-N 0 0 314.345 0.915 10 0 DCAERN CN(C)C(=O)COCC[C@@H]1CO[C@@H]2CN(c3ncccn3)C[C@H]12 ZINC000247967227 257113274 /nfs/dbraw/zinc/11/32/74/257113274.db2.gz GSMHAZQQBAMCOD-MGPQQGTHSA-N 0 0 320.393 0.423 10 0 DCAERN Cc1noc(C[C@@H]2C[C@@H]3CN(C(=O)c4ccncn4)C[C@@H]3O2)n1 ZINC000247926723 257113742 /nfs/dbraw/zinc/11/37/42/257113742.db2.gz AYLJOCGHGLUMGE-MDZLAQPJSA-N 0 0 315.333 0.640 10 0 DCAERN COCCN1CC[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C1=O ZINC000247909328 257114294 /nfs/dbraw/zinc/11/42/94/257114294.db2.gz XYERXDLHDRWEIF-VXGBXAGGSA-N 0 0 304.350 0.044 10 0 DCAERN CC(=O)N1CC2(C1)OCC[C@@H]2CCNS(=O)(=O)C1CC1 ZINC000247944028 257114574 /nfs/dbraw/zinc/11/45/74/257114574.db2.gz ODKFUFUXJVKSEL-NSHDSACASA-N 0 0 302.396 0.096 10 0 DCAERN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccnc1 ZINC000247817037 257117465 /nfs/dbraw/zinc/11/74/65/257117465.db2.gz BTISXGKJEZXWAX-ZIAGYGMSSA-N 0 0 303.362 0.934 10 0 DCAERN O=C([C@@H]1CCCO1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC000247752889 257118632 /nfs/dbraw/zinc/11/86/32/257118632.db2.gz BUXVIFALSHGFPX-KBPBESRZSA-N 0 0 315.377 0.917 10 0 DCAERN COc1ccc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)nn1 ZINC000276383548 533287389 /nfs/dbraw/zinc/28/73/89/533287389.db2.gz JINHANCLTQJBOK-CYBMUJFWSA-N 0 0 320.393 0.668 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CC1(CO)CC1 ZINC000275775476 130385049 /nfs/dbraw/zinc/38/50/49/130385049.db2.gz FXPYHTPSEXAPEJ-UHFFFAOYSA-N 0 0 317.393 0.905 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000278548953 130700714 /nfs/dbraw/zinc/70/07/14/130700714.db2.gz ICOPTPKJTPLOFX-ZIAGYGMSSA-N 0 0 320.393 0.369 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1c1nc(C)c(S(N)(=O)=O)s1 ZINC000343727050 285468770 /nfs/dbraw/zinc/46/87/70/285468770.db2.gz XHGISYLVZHOAOC-RKDXNWHRSA-N 0 0 321.424 0.339 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@@H]2CCc3nccn3C2)CC(=O)N1C ZINC000283568429 131004327 /nfs/dbraw/zinc/00/43/27/131004327.db2.gz QFRRYTCHJUVASL-NEPJUHHUSA-N 0 0 305.382 0.318 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000284417548 131079268 /nfs/dbraw/zinc/07/92/68/131079268.db2.gz COQSMDURRNJEQH-SNVBAGLBSA-N 0 0 300.244 0.711 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3[nH]cnc3c2)C1 ZINC000284613459 131097106 /nfs/dbraw/zinc/09/71/06/131097106.db2.gz BGKNFEQEYYSEES-HNNXBMFYSA-N 0 0 302.334 0.875 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)O1 ZINC000284626212 131098266 /nfs/dbraw/zinc/09/82/66/131098266.db2.gz PWHOVEDIYAGZEF-MYALOSSISA-N 0 0 320.393 0.261 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc3c(c2)CCC3)[C@@H]1C(N)=O ZINC000284793130 131112105 /nfs/dbraw/zinc/11/21/05/131112105.db2.gz RORUIXWYTNDRND-YGRLFVJLSA-N 0 0 324.402 0.439 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000285405352 131165336 /nfs/dbraw/zinc/16/53/36/131165336.db2.gz MJZDCYNHNQNBRQ-ZIAGYGMSSA-N 0 0 308.382 0.906 10 0 DCAERN CN1CCN(C(=O)c2cnc(OCC3CC3)cn2)C(C)(C)C1=O ZINC000285515078 131175625 /nfs/dbraw/zinc/17/56/25/131175625.db2.gz SNLDUHMTPNDLKL-UHFFFAOYSA-N 0 0 318.377 0.958 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000366705467 131978380 /nfs/dbraw/zinc/97/83/80/131978380.db2.gz VSMKHKFKELEPQX-FVINQWEUSA-N 0 0 301.412 0.208 10 0 DCAERN CC(C)C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)N1CCOCC1 ZINC000119664219 132135835 /nfs/dbraw/zinc/13/58/35/132135835.db2.gz UWHBMBDMZYGMCG-KGLIPLIRSA-N 0 0 311.426 0.376 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N(C)C[C@@H]2CCCCO2)n1C ZINC000121435869 132155775 /nfs/dbraw/zinc/15/57/75/132155775.db2.gz ZLPINQAGBQKRIE-ZDUSSCGKSA-N 0 0 309.414 0.583 10 0 DCAERN C[NH+](C)CCc1nc2ccccc2c(N[C@H](CO)C(=O)[O-])n1 ZINC000001316822 395680754 /nfs/dbraw/zinc/68/07/54/395680754.db2.gz KVSTZXYHPWUNBB-GFCCVEGCSA-N 0 0 304.350 0.591 10 0 DCAERN CS(=O)(=O)N1CCCN(CC(=O)NC2CCCCC2)CC1 ZINC000030702065 395703907 /nfs/dbraw/zinc/70/39/07/395703907.db2.gz QLBGCLCWNFJJSS-UHFFFAOYSA-N 0 0 317.455 0.403 10 0 DCAERN Cn1nccc1CNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000031054455 395705011 /nfs/dbraw/zinc/70/50/11/395705011.db2.gz ALVAFHRCOVWDTO-UHFFFAOYSA-N 0 0 309.351 0.389 10 0 DCAERN O=C1CN(S(=O)(=O)N2CCOCC2)Cc2ccccc2N1 ZINC000087888002 395706990 /nfs/dbraw/zinc/70/69/90/395706990.db2.gz REMSBZMJTMFRQQ-UHFFFAOYSA-N 0 0 311.363 0.018 10 0 DCAERN O=C1CN(S(=O)(=O)C[C@@H]2CCCO2)Cc2ccccc2N1 ZINC000087887974 395707015 /nfs/dbraw/zinc/70/70/15/395707015.db2.gz HKLVPGAKVXWWRH-LBPRGKRZSA-N 0 0 310.375 0.950 10 0 DCAERN COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1C(=O)OC ZINC000032152585 395709609 /nfs/dbraw/zinc/70/96/09/395709609.db2.gz QDJPGDCRLZYJGQ-UHFFFAOYSA-N 0 0 310.258 0.833 10 0 DCAERN CCOC(=O)C1=C(N)C(=O)N(C2CCCCC2)[C@@H]1C(=O)OCC ZINC000032105580 395709638 /nfs/dbraw/zinc/70/96/38/395709638.db2.gz KCAWLGVFEVLIBL-ZDUSSCGKSA-N 0 0 324.377 0.869 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1O ZINC000089408185 395710973 /nfs/dbraw/zinc/71/09/73/395710973.db2.gz HHGSKBLYNUWRLL-NHYWBVRUSA-N 0 0 301.346 0.626 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC000089415762 395711413 /nfs/dbraw/zinc/71/14/13/395711413.db2.gz ZPTZGDPGZGWALU-WCBMZHEXSA-N 0 0 318.420 0.499 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1 ZINC000089418935 395711434 /nfs/dbraw/zinc/71/14/34/395711434.db2.gz APQLQJTZGOCZMK-GWCFXTLKSA-N 0 0 312.391 0.438 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c(C)o1 ZINC000089419318 395711470 /nfs/dbraw/zinc/71/14/70/395711470.db2.gz LMPOKMHKRUFFEQ-KCJUWKMLSA-N 0 0 316.379 0.339 10 0 DCAERN COc1ccc(SCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089753173 395714493 /nfs/dbraw/zinc/71/44/93/395714493.db2.gz NZYQXMYAONTGJM-NSHDSACASA-N 0 0 308.359 0.709 10 0 DCAERN C[C@H](CNC(=O)c1ccc(-n2ccnn2)cc1)N1CCOCC1 ZINC000089707939 395714503 /nfs/dbraw/zinc/71/45/03/395714503.db2.gz SRUKXKYNLKWOGD-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000089754904 395714931 /nfs/dbraw/zinc/71/49/31/395714931.db2.gz PHPBFUXWLKJDAB-SNVBAGLBSA-N 0 0 314.313 0.978 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000028010962 395695681 /nfs/dbraw/zinc/69/56/81/395695681.db2.gz DQLANGSKYMBNTC-WDEREUQCSA-N 0 0 301.350 0.969 10 0 DCAERN O=C1CCCN1CCCNC=C1C(=O)NC(=O)c2ccccc21 ZINC000029184714 395697217 /nfs/dbraw/zinc/69/72/17/395697217.db2.gz WMMQCFHZQKJSTQ-SDNWHVSQSA-N 0 0 313.357 0.900 10 0 DCAERN CC(=O)Oc1ccc(C[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1 ZINC000038236850 395731710 /nfs/dbraw/zinc/73/17/10/395731710.db2.gz RSNOGWYWILWBOI-LLVKDONJSA-N 0 0 300.223 0.940 10 0 DCAERN Cn1cc([C@H]2NC(=O)[C@@H]3COCCN32)c(-c2cccs2)n1 ZINC000093883023 395739566 /nfs/dbraw/zinc/73/95/66/395739566.db2.gz XHWTWIZKEVBGKZ-GWCFXTLKSA-N 0 0 304.375 0.978 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000040446258 395733870 /nfs/dbraw/zinc/73/38/70/395733870.db2.gz AYXFMELJOKXHEO-CYBMUJFWSA-N 0 0 310.375 0.788 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041601639 395738662 /nfs/dbraw/zinc/73/86/62/395738662.db2.gz AWAJFJWKDBHVMN-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@@H](C)O1 ZINC000042242411 395743606 /nfs/dbraw/zinc/74/36/06/395743606.db2.gz DRVCCSNEKCKSNN-ZIAGYGMSSA-N 0 0 319.409 0.234 10 0 DCAERN O=C(NCCn1ccnc1)NCc1cccnc1-n1ccnc1 ZINC000043311233 395752769 /nfs/dbraw/zinc/75/27/69/395752769.db2.gz LOUOOQNKZKBSRP-UHFFFAOYSA-N 0 0 311.349 0.963 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)Nc2nncs2)CC1 ZINC000043137888 395752135 /nfs/dbraw/zinc/75/21/35/395752135.db2.gz FLDJZOBVROYBNQ-UHFFFAOYSA-N 0 0 305.385 0.037 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105923008 395781004 /nfs/dbraw/zinc/78/10/04/395781004.db2.gz GGJKEGNTKCIFOB-GFCCVEGCSA-N 0 0 303.370 0.894 10 0 DCAERN OC[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106384331 395782570 /nfs/dbraw/zinc/78/25/70/395782570.db2.gz CVAOQMBKGUKOIZ-DGXTUMSLSA-N 0 0 306.314 0.019 10 0 DCAERN CCCCC(=O)O[C@H]1O[C@H]([C@H](O)CO)[C@H]2OC(C)(C)O[C@H]12 ZINC000106382094 395782620 /nfs/dbraw/zinc/78/26/20/395782620.db2.gz GBOXGZJXWIPQOH-XTAFZBPGSA-N 0 0 304.339 0.318 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000193928381 395783063 /nfs/dbraw/zinc/78/30/63/395783063.db2.gz CVAFCJPAFJKJBM-ZDUSSCGKSA-N 0 0 319.471 0.757 10 0 DCAERN Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCCCC(=O)N2)nc1 ZINC000193966326 395783995 /nfs/dbraw/zinc/78/39/95/395783995.db2.gz XPQTYWMQYJJXEO-GFCCVEGCSA-N 0 0 318.377 0.894 10 0 DCAERN CN1N=C(C(=O)NCc2cccnc2-n2ccnc2)CCC1=O ZINC000044912052 395759843 /nfs/dbraw/zinc/75/98/43/395759843.db2.gz GWCLRPQUTNWCEC-UHFFFAOYSA-N 0 0 312.333 0.492 10 0 DCAERN O=C(c1ccccn1)N1CC[C@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000097940707 395761471 /nfs/dbraw/zinc/76/14/71/395761471.db2.gz MBVAZCYTHMYORN-JTQLQIEISA-N 0 0 310.317 0.602 10 0 DCAERN CC(C)N1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000045429543 395763084 /nfs/dbraw/zinc/76/30/84/395763084.db2.gz WQUOEGDIHMEEFH-UHFFFAOYSA-N 0 0 314.389 0.949 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)CCNC(=O)c2ccsc2)C1 ZINC000108459404 395790159 /nfs/dbraw/zinc/79/01/59/395790159.db2.gz KTLYYHJHIDDTQK-JTQLQIEISA-N 0 0 310.375 0.890 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CSc2nccn3ccnc23)C1 ZINC000193572026 395772369 /nfs/dbraw/zinc/77/23/69/395772369.db2.gz NDXXUJBDFSIWAL-SNVBAGLBSA-N 0 0 319.390 0.545 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCn1cc(C)cn1 ZINC000118079438 395858364 /nfs/dbraw/zinc/85/83/64/395858364.db2.gz MGFBDQKNRYRSGB-GFCCVEGCSA-N 0 0 316.427 0.656 10 0 DCAERN COCCCS(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000111339597 395807553 /nfs/dbraw/zinc/80/75/53/395807553.db2.gz PBYBURVOSNNTED-GFCCVEGCSA-N 0 0 317.411 0.999 10 0 DCAERN COCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111345604 395807625 /nfs/dbraw/zinc/80/76/25/395807625.db2.gz OJGYHECKZBLCQY-CYBMUJFWSA-N 0 0 317.411 0.177 10 0 DCAERN O=C(NCCn1ccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111787782 395813083 /nfs/dbraw/zinc/81/30/83/395813083.db2.gz RNDLLAOMBXJHGT-CYBMUJFWSA-N 0 0 304.354 0.190 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2C(N)=O)cc1C ZINC000194997632 395813217 /nfs/dbraw/zinc/81/32/17/395813217.db2.gz XCXMJDZQJAWLTE-CQSZACIVSA-N 0 0 317.389 0.900 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000112303352 395815139 /nfs/dbraw/zinc/81/51/39/395815139.db2.gz NGMMBXJOMDLQEU-QFIPXVFZSA-N 0 0 323.418 0.993 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000112294503 395815308 /nfs/dbraw/zinc/81/53/08/395815308.db2.gz OKWCLDFUBDFFSU-LBPRGKRZSA-N 0 0 310.398 0.266 10 0 DCAERN COC(=O)C1=[N+]([O-])O[C@H](C(=O)OC)[C@@H]1c1c[nH]c2ccccc21 ZINC000225385665 395858857 /nfs/dbraw/zinc/85/88/57/395858857.db2.gz PKXQSVAMHZSAJN-YPMHNXCESA-O 0 0 319.293 0.754 10 0 DCAERN CC1(CNC(=O)CCCS(=O)(=O)N2CCCC2)COC1 ZINC000112620115 395820117 /nfs/dbraw/zinc/82/01/17/395820117.db2.gz OVFQOILQAWMEJW-UHFFFAOYSA-N 0 0 304.412 0.345 10 0 DCAERN CC1CCC(NS(=O)(=O)CC(=O)NCC2(C)COC2)CC1 ZINC000112693745 395821473 /nfs/dbraw/zinc/82/14/73/395821473.db2.gz GTOMKRJTEBNXFQ-UHFFFAOYSA-N 0 0 318.439 0.637 10 0 DCAERN O=C(CCNC(=O)N[C@@H]1CCc2ncnn2C1)N1CCCCC1 ZINC000112742917 395824014 /nfs/dbraw/zinc/82/40/14/395824014.db2.gz GDRHRSUPEIDNCW-GFCCVEGCSA-N 0 0 320.397 0.295 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293207 395824091 /nfs/dbraw/zinc/82/40/91/395824091.db2.gz TZCCJLDCFSENMG-ZDUSSCGKSA-N 0 0 314.407 0.684 10 0 DCAERN O=C(NCc1cccc2c1OCO2)N[C@H]1CCc2ncnn2C1 ZINC000112745355 395824139 /nfs/dbraw/zinc/82/41/39/395824139.db2.gz UCWIRJIMDUCFMT-NSHDSACASA-N 0 0 315.333 0.821 10 0 DCAERN CC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)COC1 ZINC000112753341 395824149 /nfs/dbraw/zinc/82/41/49/395824149.db2.gz KIDBOGLAJFDRFH-CYBMUJFWSA-N 0 0 303.362 0.906 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000195359247 395825411 /nfs/dbraw/zinc/82/54/11/395825411.db2.gz JPMSWELVJPULDF-VNHYZAJKSA-N 0 0 323.437 0.470 10 0 DCAERN COC[C@@H](C)NC(=O)NC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195506253 395829934 /nfs/dbraw/zinc/82/99/34/395829934.db2.gz RJXCPVXKUGRJBN-LLVKDONJSA-N 0 0 323.397 0.450 10 0 DCAERN CCn1cc(C2CCN(CC(=O)NCC(=O)OC)CC2)cn1 ZINC000195513088 395830655 /nfs/dbraw/zinc/83/06/55/395830655.db2.gz IPASLUBXZHHCTG-UHFFFAOYSA-N 0 0 308.382 0.372 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccccc1)N1CCOCC1 ZINC000114518385 395835539 /nfs/dbraw/zinc/83/55/39/395835539.db2.gz CGSUXVHDYVMXGF-WMLDXEAASA-N 0 0 321.421 0.914 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C2)cn1 ZINC000116518649 395844793 /nfs/dbraw/zinc/84/47/93/395844793.db2.gz QRKVGFOGXWJKLY-CYBMUJFWSA-N 0 0 319.409 0.932 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CNC(=O)C3)C2)n1 ZINC000116778198 395845529 /nfs/dbraw/zinc/84/55/29/395845529.db2.gz GUZRSEHXBLWPMA-STQMWFEESA-N 0 0 305.382 0.270 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000116831739 395847054 /nfs/dbraw/zinc/84/70/54/395847054.db2.gz JSJYAXPWPXFTCX-MRVPVSSYSA-N 0 0 322.308 0.868 10 0 DCAERN NS(=O)(=O)c1ccc(OC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000116885458 395847663 /nfs/dbraw/zinc/84/76/63/395847663.db2.gz BFHYPCSJXSFJJF-QMMMGPOBSA-N 0 0 306.771 0.355 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)COc2ccccc2)C1 ZINC000116889807 395848415 /nfs/dbraw/zinc/84/84/15/395848415.db2.gz GRHSWJIPHDUNEV-STQMWFEESA-N 0 0 314.407 0.050 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000116904480 395849476 /nfs/dbraw/zinc/84/94/76/395849476.db2.gz IQFBQIXAMQRHBK-LBPRGKRZSA-N 0 0 318.420 0.140 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CCO1 ZINC000051467388 395850386 /nfs/dbraw/zinc/85/03/86/395850386.db2.gz KNNOPMBTMZBCAV-AWEZNQCLSA-N 0 0 304.346 0.597 10 0 DCAERN C[C@H]1C[C@H](NC(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000271245577 395851339 /nfs/dbraw/zinc/85/13/39/395851339.db2.gz JJKICQAXHMYEJQ-QWHCGFSZSA-N 0 0 305.382 0.876 10 0 DCAERN CCCOc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 ZINC000047462466 395792985 /nfs/dbraw/zinc/79/29/85/395792985.db2.gz OMRGUXCGRNCIJU-UHFFFAOYSA-N 0 0 312.391 0.986 10 0 DCAERN COC(=O)c1ccc(N2CCO[C@H](Cn3cc(C)cn3)C2)nn1 ZINC000108949942 395795673 /nfs/dbraw/zinc/79/56/73/395795673.db2.gz OYUNUAXVUBVYKN-LBPRGKRZSA-N 0 0 317.349 0.674 10 0 DCAERN Cn1cc(/C=C/c2nc(-c3ccccn3)no2)c(=O)n(C)c1=O ZINC000109502191 395798211 /nfs/dbraw/zinc/79/82/11/395798211.db2.gz KBVMQDFQIPTARX-VOTSOKGWSA-N 0 0 311.301 0.699 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)NCc1nnc2n1CCCC2 ZINC000194566099 395799826 /nfs/dbraw/zinc/79/98/26/395799826.db2.gz MACBWGYPHNAZBX-VIFPVBQESA-N 0 0 321.410 0.540 10 0 DCAERN CN1CC[C@H](NC(=O)NCc2cccnc2-n2ccnc2)C1=O ZINC000122722137 395889088 /nfs/dbraw/zinc/88/90/88/395889088.db2.gz WMSAPCNHECRNRV-LBPRGKRZSA-N 0 0 314.349 0.297 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@@H](C)O1 ZINC000123977556 395899487 /nfs/dbraw/zinc/89/94/87/395899487.db2.gz DPXLATIGHWPTKK-YPMHNXCESA-N 0 0 310.350 0.500 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCOCC ZINC000054457288 395900551 /nfs/dbraw/zinc/90/05/51/395900551.db2.gz TUTIQJFELCAXMJ-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN CSCCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000126054465 395909166 /nfs/dbraw/zinc/90/91/66/395909166.db2.gz AXUOPWDUCHPVOR-NSHDSACASA-N 0 0 308.469 0.917 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCNC(=O)CC1 ZINC000126184370 395911135 /nfs/dbraw/zinc/91/11/35/395911135.db2.gz CORYYGHLWJWSPE-JSGCOSHPSA-N 0 0 317.389 0.837 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000126294896 395911861 /nfs/dbraw/zinc/91/18/61/395911861.db2.gz UOZPPWNMUXTBCY-ZDUSSCGKSA-N 0 0 317.349 0.578 10 0 DCAERN C[C@H](NC(=O)[C@@H]1COCCN1)c1ccc(N2CCCC2=O)cc1 ZINC000237462865 395913568 /nfs/dbraw/zinc/91/35/68/395913568.db2.gz FAQVMDGKHONRSC-WFASDCNBSA-N 0 0 317.389 0.979 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000129373921 395919791 /nfs/dbraw/zinc/91/97/91/395919791.db2.gz XVGYSWJGAMVJIF-FOGDFJRCSA-N 0 0 302.396 0.031 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000129991190 395921169 /nfs/dbraw/zinc/92/11/69/395921169.db2.gz UDVRWQRTHDGPMN-ZDUSSCGKSA-N 0 0 319.405 0.637 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)CN2CC(=O)NC2=O)cc1 ZINC000129924372 395921368 /nfs/dbraw/zinc/92/13/68/395921368.db2.gz ZJDVKEXHDKDCNL-LBPRGKRZSA-N 0 0 303.362 0.936 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCCOC1 ZINC000055924487 395923763 /nfs/dbraw/zinc/92/37/63/395923763.db2.gz SLJKYUGIBYBIPE-NSHDSACASA-N 0 0 317.345 0.233 10 0 DCAERN CN1N=C(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CCC1=O ZINC000118674729 395862658 /nfs/dbraw/zinc/86/26/58/395862658.db2.gz SVCHYBJBJIGMAU-NSHDSACASA-N 0 0 316.365 0.170 10 0 DCAERN Cc1nc(CNC(=O)CCn2cnc3sccc3c2=O)no1 ZINC000118646773 395862986 /nfs/dbraw/zinc/86/29/86/395862986.db2.gz FBXJMQVEPJFCMY-UHFFFAOYSA-N 0 0 319.346 0.856 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCOc3cc(F)ccc32)C1 ZINC000118533414 395863097 /nfs/dbraw/zinc/86/30/97/395863097.db2.gz HKHYWEYKFHWKBU-NSHDSACASA-N 0 0 321.352 0.748 10 0 DCAERN C[C@H]1COCCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000052607819 395866555 /nfs/dbraw/zinc/86/65/55/395866555.db2.gz NWAHFTUJLBWBMK-ZDUSSCGKSA-N 0 0 306.410 0.879 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ncc(C)o1 ZINC000226555487 395866765 /nfs/dbraw/zinc/86/67/65/395866765.db2.gz GPKZEFRTTHWXPR-VIFPVBQESA-N 0 0 305.356 0.373 10 0 DCAERN CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000228065889 395870392 /nfs/dbraw/zinc/87/03/92/395870392.db2.gz YJVKPXKPJJSAEB-XPUUQOCRSA-N 0 0 313.832 0.464 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000119515895 395872436 /nfs/dbraw/zinc/87/24/36/395872436.db2.gz HTFXFUJGUJEDQG-GFCCVEGCSA-N 0 0 319.336 0.769 10 0 DCAERN C[C@H](CCNC(=O)c1ccc(S(N)(=O)=O)cc1)[S@@](C)=O ZINC000229857996 395876819 /nfs/dbraw/zinc/87/68/19/395876819.db2.gz UUKLTGWASGQIDK-AYLIAGHASA-N 0 0 318.420 0.221 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)c2ccc(C(N)=O)nc2)n[nH]1 ZINC000119872894 395878110 /nfs/dbraw/zinc/87/81/10/395878110.db2.gz MCWPXADUHHFBIQ-UHFFFAOYSA-N 0 0 311.305 0.556 10 0 DCAERN O=C(c1ccccn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119874527 395878260 /nfs/dbraw/zinc/87/82/60/395878260.db2.gz IAIOMGJBBBRWLE-LBPRGKRZSA-N 0 0 309.391 0.722 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000119954550 395879099 /nfs/dbraw/zinc/87/90/99/395879099.db2.gz FPMNYIGPDNCBHB-MRVPVSSYSA-N 0 0 313.304 0.394 10 0 DCAERN CCS[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)C(C)C ZINC000133076023 395928444 /nfs/dbraw/zinc/92/84/44/395928444.db2.gz WQDWYAQVZCKEBG-QWHCGFSZSA-N 0 0 304.456 0.573 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCN(C)C(=O)C3)cnc2n1 ZINC000120352507 395881681 /nfs/dbraw/zinc/88/16/81/395881681.db2.gz XDJRDMMYUXPZPZ-UHFFFAOYSA-N 0 0 300.318 0.558 10 0 DCAERN Cc1csc(C2(NC(=O)Cn3ncn(C)c3=O)CCC2)n1 ZINC000272296705 395882716 /nfs/dbraw/zinc/88/27/16/395882716.db2.gz KQJFCJGIZPNODH-UHFFFAOYSA-N 0 0 307.379 0.542 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(-n3ccnc3)ccn2)[C@@H](C)C1 ZINC000272357832 395886299 /nfs/dbraw/zinc/88/62/99/395886299.db2.gz RQRRFCAVRKUIAG-LBPRGKRZSA-N 0 0 313.361 0.960 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2COc3ccccc32)C1 ZINC000245527222 395931826 /nfs/dbraw/zinc/93/18/26/395931826.db2.gz WFDZCFQNCWRKGG-AAEUAGOBSA-N 0 0 324.402 0.560 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000056916928 395935843 /nfs/dbraw/zinc/93/58/43/395935843.db2.gz HOGAOONEUQRGKQ-NSHDSACASA-N 0 0 314.430 0.847 10 0 DCAERN CN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H]1c1ccc(Cl)cc1 ZINC000245843073 395936900 /nfs/dbraw/zinc/93/69/00/395936900.db2.gz IAMSSWBHTQAJAF-TZMCWYRMSA-N 0 0 320.784 0.888 10 0 DCAERN CCn1cc(C2CCN(C(=O)CN(C)C(=O)COC)CC2)cn1 ZINC000135353921 395939708 /nfs/dbraw/zinc/93/97/08/395939708.db2.gz YLPLYNZEGWXMOW-UHFFFAOYSA-N 0 0 322.409 0.714 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000246170606 395943148 /nfs/dbraw/zinc/94/31/48/395943148.db2.gz MPGKNPDKXQMOSL-KGLIPLIRSA-N 0 0 320.455 0.538 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000057728212 395947332 /nfs/dbraw/zinc/94/73/32/395947332.db2.gz LNMNCZZXRBMACQ-CQSZACIVSA-N 0 0 302.378 0.741 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCO[C@]3(CCOC3)C2)n1 ZINC000274432943 395947770 /nfs/dbraw/zinc/94/77/70/395947770.db2.gz QQXZCKGGFFSORI-CQSZACIVSA-N 0 0 306.322 0.204 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469813 395950499 /nfs/dbraw/zinc/95/04/99/395950499.db2.gz QOKWNQYWUXXOCT-GJZGRUSLSA-N 0 0 307.394 0.220 10 0 DCAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCO[C@@]2(CCOC2)C1 ZINC000274478258 395951715 /nfs/dbraw/zinc/95/17/15/395951715.db2.gz QWKXYNYOZBJXPD-INIZCTEOSA-N 0 0 318.329 0.649 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246521338 395951962 /nfs/dbraw/zinc/95/19/62/395951962.db2.gz PHJPSCLDYZONFV-PEBLQZBPSA-N 0 0 311.426 0.644 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1 ZINC000246563641 395952720 /nfs/dbraw/zinc/95/27/20/395952720.db2.gz XZUFTIMQQRKGCC-ILXRZTDVSA-N 0 0 323.437 0.424 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000274520386 395954874 /nfs/dbraw/zinc/95/48/74/395954874.db2.gz SDBBKZXODYQFNC-STQMWFEESA-N 0 0 305.382 0.700 10 0 DCAERN C[C@H](CC(=O)N[C@H]1CCCC[C@H]1C(N)=O)N1CCCCC1=O ZINC000248957434 395999969 /nfs/dbraw/zinc/99/99/69/395999969.db2.gz LWXHSYDPRCODJY-UPJWGTAASA-N 0 0 309.410 0.938 10 0 DCAERN CC(C)S(=O)(=O)CCCN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246795732 395958103 /nfs/dbraw/zinc/95/81/03/395958103.db2.gz XVGCEZVTRGXHTO-LSDHHAIUSA-N 0 0 318.483 0.852 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)c1nc2ccccc2c(=O)[nH]1 ZINC000152090685 396000214 /nfs/dbraw/zinc/00/02/14/396000214.db2.gz ZCXNMJOIIBKGEH-VIFPVBQESA-N 0 0 321.358 0.230 10 0 DCAERN C[C@H]1CN(C[C@@H](O)CN2CCOCC2)c2ccccc2NC1=O ZINC000246938047 395961779 /nfs/dbraw/zinc/96/17/79/395961779.db2.gz UBKZTAFMTWTEOU-KBPBESRZSA-N 0 0 319.405 0.774 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000145254436 395963994 /nfs/dbraw/zinc/96/39/94/395963994.db2.gz JNERGRICGIUSPG-SNVBAGLBSA-N 0 0 300.380 0.241 10 0 DCAERN COCCN1CCN(C(=O)NC[C@H](C)Cn2cccn2)C[C@@H]1C ZINC000247034406 395964189 /nfs/dbraw/zinc/96/41/89/395964189.db2.gz IMQXMKXYWUYRSC-GJZGRUSLSA-N 0 0 323.441 0.881 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@H]2C1 ZINC000247120848 395966839 /nfs/dbraw/zinc/96/68/39/395966839.db2.gz WTMIDZQQESGCCS-KGYLQXTDSA-N 0 0 307.350 0.522 10 0 DCAERN Cn1cc(NC(=O)Cc2ccccc2Cl)c(=O)n(C)c1=O ZINC000150734451 395971661 /nfs/dbraw/zinc/97/16/61/395971661.db2.gz OGSGYXAQUBKTHV-UHFFFAOYSA-N 0 0 307.737 0.919 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000150781940 395972904 /nfs/dbraw/zinc/97/29/04/395972904.db2.gz FWSDHLAEAHSNOX-GFCCVEGCSA-N 0 0 306.366 0.546 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC3CCC(O)CC3)CCO2)[nH]1 ZINC000151104881 395978742 /nfs/dbraw/zinc/97/87/42/395978742.db2.gz ILTZLIXGXDEZNZ-HTAVTVPLSA-N 0 0 323.397 0.754 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCCn3ccnc3)CCO2)[nH]1 ZINC000151106758 395979394 /nfs/dbraw/zinc/97/93/94/395979394.db2.gz RAHYDYKMQZHDKR-LLVKDONJSA-N 0 0 319.369 0.347 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000151139910 395979631 /nfs/dbraw/zinc/97/96/31/395979631.db2.gz CXLQYFVRKZGYKF-JGVFFNPUSA-N 0 0 307.375 0.959 10 0 DCAERN C[C@H](c1ncc(C(C)(C)C)o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248121075 395982355 /nfs/dbraw/zinc/98/23/55/395982355.db2.gz NJRYFHUBSMEVGJ-MNOVXSKESA-N 0 0 320.393 0.676 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000248449296 395988129 /nfs/dbraw/zinc/98/81/29/395988129.db2.gz DXUFPFZCAFZFIE-ZFXASYOHSA-N 0 0 309.387 0.994 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(C(N)=O)cn2C)cn1 ZINC000151717740 395991028 /nfs/dbraw/zinc/99/10/28/395991028.db2.gz IQQZWWVKLIKPIA-LBPRGKRZSA-N 0 0 301.350 0.835 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)C1 ZINC000248686042 395994768 /nfs/dbraw/zinc/99/47/68/395994768.db2.gz ZGGXYYUDASVMNU-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCC(=O)N(C)CCc2ccccn2)O1 ZINC000151912565 395996100 /nfs/dbraw/zinc/99/61/00/395996100.db2.gz NGPVMNCCHYKMCV-JSGCOSHPSA-N 0 0 305.378 0.766 10 0 DCAERN CC(C)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1=O ZINC000276439596 395997070 /nfs/dbraw/zinc/99/70/70/395997070.db2.gz XCUVNMVZUBRJOH-NSHDSACASA-N 0 0 306.366 0.606 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCC(=O)N(C)C)C1 ZINC000151965581 395997711 /nfs/dbraw/zinc/99/77/11/395997711.db2.gz VLRXFBUXJBBVPQ-GFCCVEGCSA-N 0 0 307.398 0.880 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@H](C)C(=O)N(C)C)CCN1CC(F)F ZINC000252736645 396024924 /nfs/dbraw/zinc/02/49/24/396024924.db2.gz YVYSLQCYBKIRMU-MNOVXSKESA-N 0 0 320.384 0.834 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000253149650 396025439 /nfs/dbraw/zinc/02/54/39/396025439.db2.gz DSMFFHWIUDEFSB-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000154008628 396028882 /nfs/dbraw/zinc/02/88/82/396028882.db2.gz KDFCOGSRWIGUFU-SNVBAGLBSA-N 0 0 320.315 0.776 10 0 DCAERN COc1cccc(CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154118986 396031579 /nfs/dbraw/zinc/03/15/79/396031579.db2.gz ANOMXPOUZQFDMD-CQSZACIVSA-N 0 0 308.378 0.047 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154131901 396032058 /nfs/dbraw/zinc/03/20/58/396032058.db2.gz QCPCFRYJCUTAHB-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN Cn1cc(/C=C\c2nc(-c3ccncc3)no2)c(=O)n(C)c1=O ZINC000255585100 396032870 /nfs/dbraw/zinc/03/28/70/396032870.db2.gz ZFHOXXXMDOELLR-ARJAWSKDSA-N 0 0 311.301 0.699 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000067907706 396038659 /nfs/dbraw/zinc/03/86/59/396038659.db2.gz BCKAAJXMHQFMKE-CQSZACIVSA-N 0 0 323.437 0.962 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)CCO)c2)no1 ZINC000154929889 396044679 /nfs/dbraw/zinc/04/46/79/396044679.db2.gz AZWJXVIOIIYAFH-SECBINFHSA-N 0 0 318.333 0.871 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000068100652 396045717 /nfs/dbraw/zinc/04/57/17/396045717.db2.gz QSZMOVGMTLFSGN-JQWIXIFHSA-N 0 0 324.402 0.816 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000068138428 396047474 /nfs/dbraw/zinc/04/74/74/396047474.db2.gz NWXYSUIIPCRKHJ-JHJVBQTASA-N 0 0 321.421 0.890 10 0 DCAERN CNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000261609147 396048967 /nfs/dbraw/zinc/04/89/67/396048967.db2.gz DPDOLIYUXNNESU-UHFFFAOYSA-N 0 0 302.378 0.158 10 0 DCAERN CC(C)C[C@H](C)N(C)C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155374217 396050560 /nfs/dbraw/zinc/05/05/60/396050560.db2.gz GPCTXVTWEWNJAC-STQMWFEESA-N 0 0 304.456 0.998 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2ccccc2F)CCS1(=O)=O ZINC000155461100 396051698 /nfs/dbraw/zinc/05/16/98/396051698.db2.gz CACLNEFTGPAKBT-JTQLQIEISA-N 0 0 300.355 0.883 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000277150962 396052216 /nfs/dbraw/zinc/05/22/16/396052216.db2.gz FUJADARHTTVYAW-ZUCKAHLUSA-N 0 0 315.373 0.996 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)o1 ZINC000155514196 396053410 /nfs/dbraw/zinc/05/34/10/396053410.db2.gz LWUZSFJYQSJXRD-NXEZZACHSA-N 0 0 316.379 0.469 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155594804 396054884 /nfs/dbraw/zinc/05/48/84/396054884.db2.gz KBHXIRZMEIGKOH-STQMWFEESA-N 0 0 304.456 0.998 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1cn(-c2ccccc2)nn1 ZINC000155855433 396058492 /nfs/dbraw/zinc/05/84/92/396058492.db2.gz RLPUEAJVTQSQOB-NSHDSACASA-N 0 0 324.344 0.852 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158266148 396064188 /nfs/dbraw/zinc/06/41/88/396064188.db2.gz RVXFVDXGXCJYTD-MQYQWHSLSA-N 0 0 305.440 0.935 10 0 DCAERN O=c1[nH]cnc(SC2COC2)c1I ZINC000159128736 396066053 /nfs/dbraw/zinc/06/60/53/396066053.db2.gz CQYMTSWFRNRBJD-UHFFFAOYSA-N 0 0 310.116 0.865 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000069095188 396069314 /nfs/dbraw/zinc/06/93/14/396069314.db2.gz SAXDJUDTZYMVCJ-CQSZACIVSA-N 0 0 324.402 0.958 10 0 DCAERN CC(C)n1nccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000152331660 396006758 /nfs/dbraw/zinc/00/67/58/396006758.db2.gz AFGKKJNKQJOEEA-SNVBAGLBSA-N 0 0 300.384 0.228 10 0 DCAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC[C@@H]1CCCO1 ZINC000152433040 396008737 /nfs/dbraw/zinc/00/87/37/396008737.db2.gz UMDPUPALWJGWKT-ZFWWWQNUSA-N 0 0 305.378 0.830 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000069113104 396070470 /nfs/dbraw/zinc/07/04/70/396070470.db2.gz QTXZYIMXXWSGEF-WDEREUQCSA-N 0 0 324.402 0.991 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000251849641 396017139 /nfs/dbraw/zinc/01/71/39/396017139.db2.gz NJZXPRPOECGBER-TUVASFSCSA-N 0 0 317.389 0.950 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000152904330 396017644 /nfs/dbraw/zinc/01/76/44/396017644.db2.gz RIFZEDXPUDHMBW-AWEZNQCLSA-N 0 0 317.389 0.982 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000276666246 396019512 /nfs/dbraw/zinc/01/95/12/396019512.db2.gz MXBOLBWMVXGTJF-KGLIPLIRSA-N 0 0 319.409 0.537 10 0 DCAERN COCc1nnc2n1CC[C@H](NC(=O)c1ccn(C)n1)CC2 ZINC000169790401 396093439 /nfs/dbraw/zinc/09/34/39/396093439.db2.gz GWNOBVFRIGVSTJ-SNVBAGLBSA-N 0 0 304.354 0.293 10 0 DCAERN Cc1n[nH]c(C)c1CN1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169792955 396094052 /nfs/dbraw/zinc/09/40/52/396094052.db2.gz IGRPHMKNMBKROP-UHFFFAOYSA-N 0 0 316.409 0.853 10 0 DCAERN COC(=O)NCCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000170966469 396102320 /nfs/dbraw/zinc/10/23/20/396102320.db2.gz DBRJJSGIHWGWBP-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN C[C@H](C(=O)NC(N)=O)n1cc(I)cn1 ZINC000070679543 396103498 /nfs/dbraw/zinc/10/34/98/396103498.db2.gz GIJHTUOQXLCUBE-SCSAIBSYSA-N 0 0 308.079 0.244 10 0 DCAERN CC(C)Oc1ccc(F)cc1NCC(=O)N1CCNC(=O)C1 ZINC000171050267 396105680 /nfs/dbraw/zinc/10/56/80/396105680.db2.gz HXEYBMWHAJZJFX-UHFFFAOYSA-N 0 0 309.341 0.983 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCCCc1cnn(C)c1 ZINC000171263319 396112529 /nfs/dbraw/zinc/11/25/29/396112529.db2.gz GIIFBZGXWPJVFN-UHFFFAOYSA-N 0 0 309.414 0.909 10 0 DCAERN CC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000071497894 396114432 /nfs/dbraw/zinc/11/44/32/396114432.db2.gz ILRCOQWNRGZUQL-CABZTGNLSA-N 0 0 318.329 0.739 10 0 DCAERN Cc1cnc(C(N)=O)c(CCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000071614418 396114465 /nfs/dbraw/zinc/11/44/65/396114465.db2.gz IRBZZMDGPWICMA-UHFFFAOYSA-N 0 0 320.374 0.317 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000171403970 396115985 /nfs/dbraw/zinc/11/59/85/396115985.db2.gz FYXFZZIUCIGILT-AWEZNQCLSA-N 0 0 304.394 0.742 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN(c4cccnn4)CC3)ccc21 ZINC000171558103 396119046 /nfs/dbraw/zinc/11/90/46/396119046.db2.gz RQSOJQXWAWUVOL-UHFFFAOYSA-N 0 0 323.360 0.721 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171598522 396119704 /nfs/dbraw/zinc/11/97/04/396119704.db2.gz RHPMZKFCZSGSBP-CHWSQXEVSA-N 0 0 305.382 0.924 10 0 DCAERN O=C(NCCNC(=O)N1CCNC(=O)CC1)c1ccc(F)cc1 ZINC000171658699 396121641 /nfs/dbraw/zinc/12/16/41/396121641.db2.gz SXQDKESWOLLYPT-UHFFFAOYSA-N 0 0 322.340 0.087 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](n2cncn2)C1 ZINC000171702273 396122389 /nfs/dbraw/zinc/12/23/89/396122389.db2.gz SVUVOGXBLWOAAH-PWSUYJOCSA-N 0 0 306.370 0.292 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000171706014 396122794 /nfs/dbraw/zinc/12/27/94/396122794.db2.gz JTXPGCLNSZXLAE-CQSZACIVSA-N 0 0 316.365 0.719 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986914 396128351 /nfs/dbraw/zinc/12/83/51/396128351.db2.gz ROOWWAUVSVAHDU-CZUORRHYSA-N 0 0 317.389 0.848 10 0 DCAERN CCCn1nccc1NC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000172217915 396129282 /nfs/dbraw/zinc/12/92/82/396129282.db2.gz GCPDCMCHBFDKCO-GFCCVEGCSA-N 0 0 309.370 0.662 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172766570 396133101 /nfs/dbraw/zinc/13/31/01/396133101.db2.gz ARIYUMQUEOEFTG-JLCFBVMHSA-N 0 0 322.430 0.971 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278603729 396134141 /nfs/dbraw/zinc/13/41/41/396134141.db2.gz ALLVVUJHMUDCOF-KRWDZBQOSA-N 0 0 318.421 0.826 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000174481511 396138686 /nfs/dbraw/zinc/13/86/86/396138686.db2.gz ZLBOYONLMDMDJL-OCCSQVGLSA-N 0 0 320.455 0.714 10 0 DCAERN CC1(CNC(=O)CSCC(=O)N2CCOCC2)CCC1 ZINC000175114457 396139310 /nfs/dbraw/zinc/13/93/10/396139310.db2.gz HGKNDBCYQFGMFO-UHFFFAOYSA-N 0 0 300.424 0.885 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277715905 396083489 /nfs/dbraw/zinc/08/34/89/396083489.db2.gz NXBZRBKCCWKCOU-ZDUSSCGKSA-N 0 0 307.398 0.292 10 0 DCAERN CNC(=O)CN1CCN(C(=O)CCc2ccccc2O)CC1 ZINC000069635495 396085402 /nfs/dbraw/zinc/08/54/02/396085402.db2.gz ARAREGBTOJUBAG-UHFFFAOYSA-N 0 0 305.378 0.215 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263223660 396206635 /nfs/dbraw/zinc/20/66/35/396206635.db2.gz MKTDUIBEFZOOEE-VWYCJHECSA-N 0 0 303.353 0.747 10 0 DCAERN Cc1nc(C(=O)NCCOCCS(C)(=O)=O)c(C)s1 ZINC000178740759 396207244 /nfs/dbraw/zinc/20/72/44/396207244.db2.gz GJOMRJVBRHDHPI-UHFFFAOYSA-N 0 0 306.409 0.551 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000263228095 396207419 /nfs/dbraw/zinc/20/74/19/396207419.db2.gz NBODRWNARKBHRK-GHMZBOCLSA-N 0 0 300.309 0.108 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)c1nnnn1-c1ccccc1 ZINC000263229054 396207506 /nfs/dbraw/zinc/20/75/06/396207506.db2.gz NEJCXPFWILQEFZ-GXSJLCMTSA-N 0 0 322.319 0.837 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000175941338 396145807 /nfs/dbraw/zinc/14/58/07/396145807.db2.gz CEVFRHRSWQBQOM-LBPRGKRZSA-N 0 0 313.423 0.978 10 0 DCAERN CC(C)Cc1nsc(N2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000278995964 396146120 /nfs/dbraw/zinc/14/61/20/396146120.db2.gz FFOFEGSPOOGFMM-CYBMUJFWSA-N 0 0 309.395 0.915 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176094423 396149721 /nfs/dbraw/zinc/14/97/21/396149721.db2.gz LIHOUBQOVPHPCC-GZMMTYOYSA-N 0 0 319.287 0.302 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000279151625 396154437 /nfs/dbraw/zinc/15/44/37/396154437.db2.gz CZHXMSNNZOAADS-GFCCVEGCSA-N 0 0 318.160 0.638 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccnc1 ZINC000074164853 396159329 /nfs/dbraw/zinc/15/93/29/396159329.db2.gz WGNRCLVOUWAELN-KCQAQPDRSA-N 0 0 303.362 0.896 10 0 DCAERN O=C(NCC[C@H]1CCC[NH2+]C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000262604154 396160384 /nfs/dbraw/zinc/16/03/84/396160384.db2.gz SAEFKUXTCFMOLY-SECBINFHSA-N 0 0 317.349 0.556 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000177397404 396173902 /nfs/dbraw/zinc/17/39/02/396173902.db2.gz FUHXFQAFSBWXLN-NSHDSACASA-N 0 0 307.354 0.311 10 0 DCAERN COc1ncccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000177394859 396173920 /nfs/dbraw/zinc/17/39/20/396173920.db2.gz CTHZGLOCQJHHIA-LBPRGKRZSA-N 0 0 318.377 0.725 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)NC[C@H]1CCCC[C@H]1O ZINC000077150866 396212996 /nfs/dbraw/zinc/21/29/96/396212996.db2.gz BYHCNXLEOBEACY-DGCLKSJQSA-N 0 0 309.366 0.746 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000075534327 396180898 /nfs/dbraw/zinc/18/08/98/396180898.db2.gz IBCOIJOXZHMBMG-JHJVBQTASA-N 0 0 302.440 0.752 10 0 DCAERN C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)C[C@H](O)CO ZINC000177687363 396181273 /nfs/dbraw/zinc/18/12/73/396181273.db2.gz GVZDTIIAZDLCGH-ZYHUDNBSSA-N 0 0 311.363 0.096 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000075635784 396183504 /nfs/dbraw/zinc/18/35/04/396183504.db2.gz XISXKWWOXATJGB-CYBMUJFWSA-N 0 0 311.426 0.424 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H]2C)s1 ZINC000075980206 396191089 /nfs/dbraw/zinc/19/10/89/396191089.db2.gz LVACZLQUEBFFBL-APPZFPTMSA-N 0 0 303.409 0.864 10 0 DCAERN CN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCNC1=O ZINC000178204431 396191246 /nfs/dbraw/zinc/19/12/46/396191246.db2.gz FSSFNVBCKBVVJU-INIZCTEOSA-N 0 0 302.422 0.629 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000076203122 396198645 /nfs/dbraw/zinc/19/86/45/396198645.db2.gz OKEYQJQVUXADAO-SNVBAGLBSA-N 0 0 323.422 0.195 10 0 DCAERN Cc1nsc(N2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)n1 ZINC000263168155 396204393 /nfs/dbraw/zinc/20/43/93/396204393.db2.gz FJSZVMUVXZLWEC-VIFPVBQESA-N 0 0 317.365 0.492 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180686952 396234118 /nfs/dbraw/zinc/23/41/18/396234118.db2.gz SXRKYBWRTWZIQX-MNOVXSKESA-N 0 0 305.378 0.751 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)c1cnn2ccc(C)nc12 ZINC000263936132 396243842 /nfs/dbraw/zinc/24/38/42/396243842.db2.gz PBEUVSFEKUIJDT-GFCCVEGCSA-N 0 0 301.350 0.778 10 0 DCAERN O=C(NCCCn1ccnn1)NCc1cccc2c1OCO2 ZINC000182233260 396248022 /nfs/dbraw/zinc/24/80/22/396248022.db2.gz KPMJMHFSWAHKCX-UHFFFAOYSA-N 0 0 303.322 0.896 10 0 DCAERN C[C@H](NS(=O)(=O)CC1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000078739306 396252849 /nfs/dbraw/zinc/25/28/49/396252849.db2.gz SUSBTEGJQUPHGP-VIFPVBQESA-N 0 0 318.420 0.724 10 0 DCAERN O=C(N[C@@]1(CO)CCOC1)c1cccc(OCC(F)(F)F)n1 ZINC000182857041 396256058 /nfs/dbraw/zinc/25/60/58/396256058.db2.gz CCJIBRVLODZRTO-GFCCVEGCSA-N 0 0 320.267 0.904 10 0 DCAERN C[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCS1 ZINC000264205417 396262455 /nfs/dbraw/zinc/26/24/55/396262455.db2.gz KOSFEDYOGPECDS-ZETCQYMHSA-N 0 0 306.434 0.973 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000282132238 396265850 /nfs/dbraw/zinc/26/58/50/396265850.db2.gz HCFLMGMCQVNQMO-DRZSPHRISA-N 0 0 305.382 0.934 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(=O)n(C)c1 ZINC000183348312 396267656 /nfs/dbraw/zinc/26/76/56/396267656.db2.gz VMHLWKIALFVWLG-UHFFFAOYSA-N 0 0 304.306 0.548 10 0 DCAERN O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@H]1COCCO1 ZINC000079833742 396270659 /nfs/dbraw/zinc/27/06/59/396270659.db2.gz ITJGXDFNKYYKDJ-CQSZACIVSA-N 0 0 315.329 0.646 10 0 DCAERN CN(C)c1cccc(CNC(=O)NCCCn2ccnn2)n1 ZINC000183526666 396270933 /nfs/dbraw/zinc/27/09/33/396270933.db2.gz LSVDPYOEXOHKPI-UHFFFAOYSA-N 0 0 303.370 0.629 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000183627221 396272786 /nfs/dbraw/zinc/27/27/86/396272786.db2.gz XUOCPSSTPWWCFW-JTQLQIEISA-N 0 0 308.382 0.901 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1cnn(CCC(F)(F)F)c1 ZINC000183766788 396274574 /nfs/dbraw/zinc/27/45/74/396274574.db2.gz FHOZNEIRWHPFPT-LLVKDONJSA-N 0 0 307.272 0.717 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H](Cn2ccnn2)C1)NCC1CC1 ZINC000183781731 396274608 /nfs/dbraw/zinc/27/46/08/396274608.db2.gz XNGIIPGJHJWCBK-ZDUSSCGKSA-N 0 0 320.397 0.226 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2ccc([S@@](C)=O)cc2)CCC1=O ZINC000080147434 396275726 /nfs/dbraw/zinc/27/57/26/396275726.db2.gz XQPICHTWXVPHHW-YTEVENLXSA-N 0 0 323.418 0.844 10 0 DCAERN CC[C@H](C)OCC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183827525 396276137 /nfs/dbraw/zinc/27/61/37/396276137.db2.gz LRLWIUOLFCFLGR-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN COc1cc(N2CCN(C(=O)CC[C@@H](C)OC)CC2)ncn1 ZINC000183851172 396276693 /nfs/dbraw/zinc/27/66/93/396276693.db2.gz VLUSBLJVHVWPOE-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN NC(=O)Cn1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)nn1 ZINC000080622506 396283299 /nfs/dbraw/zinc/28/32/99/396283299.db2.gz TXUSFKBSYOLJBY-LBPRGKRZSA-N 0 0 321.381 0.327 10 0 DCAERN O=C(NC[C@H]1CCCN1c1cccnn1)[C@@H]1CC(F)(F)CN1 ZINC000263313961 396213692 /nfs/dbraw/zinc/21/36/92/396213692.db2.gz ZEKGYPMVBALXOP-MNOVXSKESA-N 0 0 311.336 0.559 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)cs1 ZINC000077160618 396213751 /nfs/dbraw/zinc/21/37/51/396213751.db2.gz DVVDWTYFILQVPG-PSASIEDQSA-N 0 0 318.420 0.676 10 0 DCAERN COc1ccc(C(=O)NCCNC(=O)C[C@H](O)C(C)C)cc1 ZINC000178902602 396213914 /nfs/dbraw/zinc/21/39/14/396213914.db2.gz UZNYLJCURQHCLF-AWEZNQCLSA-N 0 0 308.378 0.948 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CSc1nc(C)cc(C)n1 ZINC000077206062 396214454 /nfs/dbraw/zinc/21/44/54/396214454.db2.gz PPFZMQKPSARCNU-NSHDSACASA-N 0 0 308.407 0.923 10 0 DCAERN Cc1c(CNS(=O)(=O)c2cccc(C(N)=O)c2)cnn1C ZINC000178915168 396214639 /nfs/dbraw/zinc/21/46/39/396214639.db2.gz CFZKDMAPUQNEGE-UHFFFAOYSA-N 0 0 308.363 0.306 10 0 DCAERN CC1(C)O[C@@H]2CO[C@](O)(CO)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000077272842 396217084 /nfs/dbraw/zinc/21/70/84/396217084.db2.gz IAUQVXMYMFREHC-IXYNUQLISA-N 0 0 310.346 0.803 10 0 in-vitro DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(F)cc1Cl ZINC000179181067 396223079 /nfs/dbraw/zinc/22/30/79/396223079.db2.gz GXYNKSGAJSQXAK-ZJUUUORDSA-N 0 0 302.733 0.845 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCN(C)C3=O)CCO2)o1 ZINC000179231868 396224790 /nfs/dbraw/zinc/22/47/90/396224790.db2.gz WAPVZLBGAHYJBO-YPMHNXCESA-N 0 0 307.350 0.902 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCCOCC2CC2)c1 ZINC000077607438 396227047 /nfs/dbraw/zinc/22/70/47/396227047.db2.gz UFHIUWGZLGADME-UHFFFAOYSA-N 0 0 312.391 0.881 10 0 DCAERN C[C@H](Cn1cncn1)NS(=O)(=O)N(C)C1CCCCC1 ZINC000077618451 396227345 /nfs/dbraw/zinc/22/73/45/396227345.db2.gz IIXBJNPXVOWVRH-LLVKDONJSA-N 0 0 301.416 0.766 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCN2CCCCC2)c1 ZINC000077608640 396227438 /nfs/dbraw/zinc/22/74/38/396227438.db2.gz BBELYYOWEVFJAE-UHFFFAOYSA-N 0 0 311.407 0.550 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)NC[C@@]1(O)CCOC1 ZINC000179613848 396228423 /nfs/dbraw/zinc/22/84/23/396228423.db2.gz KJBSXHQXKVTGKZ-AWEZNQCLSA-N 0 0 300.305 0.958 10 0 DCAERN O=C(NCCOc1ccc(F)cc1F)NC[C@@]1(O)CCOC1 ZINC000179584309 396228467 /nfs/dbraw/zinc/22/84/67/396228467.db2.gz QFZQWYBGIBPLQD-AWEZNQCLSA-N 0 0 316.304 0.794 10 0 DCAERN Cc1nccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)n1 ZINC000080425408 396280858 /nfs/dbraw/zinc/28/08/58/396280858.db2.gz MOUYVAQKYRZTEP-CQSZACIVSA-N 0 0 313.361 0.681 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCC([C@@H](C)O)CC2)n(C)n1 ZINC000077763364 396231651 /nfs/dbraw/zinc/23/16/51/396231651.db2.gz LONKQKDVCUGXST-SNVBAGLBSA-N 0 0 308.382 0.540 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185022134 396313945 /nfs/dbraw/zinc/31/39/45/396313945.db2.gz UBDZIIKNJHQSQL-GFCCVEGCSA-N 0 0 304.350 0.172 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)C1(O)CCCC1 ZINC000185032538 396315115 /nfs/dbraw/zinc/31/51/15/396315115.db2.gz SPMNDZQLWLQJIG-ZDUSSCGKSA-N 0 0 303.362 0.998 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000185076980 396316709 /nfs/dbraw/zinc/31/67/09/396316709.db2.gz IKQOBRPSORVINJ-AWEZNQCLSA-N 0 0 320.455 0.397 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COCc2cccs2)C1 ZINC000185093542 396317495 /nfs/dbraw/zinc/31/74/95/396317495.db2.gz MZQRKAPHMGXYQD-GFCCVEGCSA-N 0 0 314.407 0.072 10 0 DCAERN CCOC(=O)CCCN1CCN(c2cc(OC)ncn2)CC1 ZINC000184065449 396283692 /nfs/dbraw/zinc/28/36/92/396283692.db2.gz MUXQICCSSPJGBW-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCN(c3cccs3)C(=O)C2)C1 ZINC000184068272 396283921 /nfs/dbraw/zinc/28/39/21/396283921.db2.gz MZIUQIFVCAXVCJ-NSHDSACASA-N 0 0 309.391 0.254 10 0 DCAERN CCOC(=O)[C@H](CC)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184074889 396284318 /nfs/dbraw/zinc/28/43/18/396284318.db2.gz RXKNGILOCUZQDY-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN O=C(NCCOCC1CC1)N1CCN(c2cccnn2)CC1 ZINC000264520051 396287505 /nfs/dbraw/zinc/28/75/05/396287505.db2.gz VBGRXHZGTDYXIV-UHFFFAOYSA-N 0 0 305.382 0.735 10 0 DCAERN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CC(CO)C1 ZINC000184233719 396288172 /nfs/dbraw/zinc/28/81/72/396288172.db2.gz ZPMWEXGENRKBAE-INIZCTEOSA-N 0 0 304.390 0.728 10 0 DCAERN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC(CO)C1 ZINC000184231948 396288223 /nfs/dbraw/zinc/28/82/23/396288223.db2.gz MPZWTBCSJOELSF-UHFFFAOYSA-N 0 0 324.402 0.500 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279413 396289301 /nfs/dbraw/zinc/28/93/01/396289301.db2.gz RKWSDKDSKMMABD-CYBMUJFWSA-N 0 0 306.362 0.795 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCN1CCCCCC1=O ZINC000184335704 396291397 /nfs/dbraw/zinc/29/13/97/396291397.db2.gz NJKSRMPOIFJJDX-OLZOCXBDSA-N 0 0 318.439 0.876 10 0 DCAERN COC[C@@]1(C)NC(=O)N(Cc2cc(-c3cnn(C)c3)no2)C1=O ZINC000184430113 396295184 /nfs/dbraw/zinc/29/51/84/396295184.db2.gz WWBBXZFZOWHFMH-CQSZACIVSA-N 0 0 319.321 0.532 10 0 DCAERN CC(C)[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(N)=O ZINC000184473254 396296717 /nfs/dbraw/zinc/29/67/17/396296717.db2.gz UKUFAPOCSVEMIK-VXGBXAGGSA-N 0 0 320.397 0.255 10 0 DCAERN Cn1nccc1CNC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000184532458 396297591 /nfs/dbraw/zinc/29/75/91/396297591.db2.gz YYAQUKIMRURXBM-GFCCVEGCSA-N 0 0 320.374 0.748 10 0 DCAERN COc1cc(CNC(=O)NCCCn2ccnn2)ccc1O ZINC000184801482 396307026 /nfs/dbraw/zinc/30/70/26/396307026.db2.gz RHKMPFADBCXNHV-UHFFFAOYSA-N 0 0 305.338 0.882 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@H](CO)CC(C)C)CC2 ZINC000185346288 396325414 /nfs/dbraw/zinc/32/54/14/396325414.db2.gz AYTWJYHPAIWYJJ-STQMWFEESA-N 0 0 309.414 0.950 10 0 DCAERN CNC(=O)CC(=O)NCCOc1ncccc1C(F)(F)F ZINC000185365328 396326084 /nfs/dbraw/zinc/32/60/84/396326084.db2.gz FIICHMNERIIPMM-UHFFFAOYSA-N 0 0 305.256 0.732 10 0 DCAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccncc1 ZINC000185507477 396329445 /nfs/dbraw/zinc/32/94/45/396329445.db2.gz KBBJYWGEVROFOX-CYBMUJFWSA-N 0 0 306.366 0.689 10 0 DCAERN Cc1csc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)n1 ZINC000265668890 396335741 /nfs/dbraw/zinc/33/57/41/396335741.db2.gz QUSVCRWJVUDABI-UHFFFAOYSA-N 0 0 308.363 0.499 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H]3CCC(=O)N(C)C3)c12 ZINC000265673678 396336178 /nfs/dbraw/zinc/33/61/78/396336178.db2.gz RYSDYQKYRLSYKS-JTQLQIEISA-N 0 0 301.350 0.925 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N(C)CC)C1 ZINC000186197475 396344661 /nfs/dbraw/zinc/34/46/61/396344661.db2.gz UEPJLCMBTPJYPP-LBPRGKRZSA-N 0 0 312.414 0.555 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3ccc(S(C)(=O)=O)cc3)CC[C@@H]21 ZINC000284551597 396345811 /nfs/dbraw/zinc/34/58/11/396345811.db2.gz LLLIJPBITGRQRF-OLZOCXBDSA-N 0 0 309.391 0.692 10 0 DCAERN Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCOCC2)CCC[N@@H+]1C ZINC000284642925 396346429 /nfs/dbraw/zinc/34/64/29/396346429.db2.gz UUHJJHDKQWGDNO-DZGCQCFKSA-N 0 0 321.425 0.845 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000284841007 396346905 /nfs/dbraw/zinc/34/69/05/396346905.db2.gz DBODHIFOVPDZTO-WMLDXEAASA-N 0 0 302.374 0.945 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000284840999 396347067 /nfs/dbraw/zinc/34/70/67/396347067.db2.gz DBODHIFOVPDZTO-PBHICJAKSA-N 0 0 302.374 0.945 10 0 DCAERN COCC(=O)NC1CN(C(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC000186317048 396347511 /nfs/dbraw/zinc/34/75/11/396347511.db2.gz UVCJCJIRQDBUHC-UHFFFAOYSA-N 0 0 315.373 0.992 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000186185211 396343659 /nfs/dbraw/zinc/34/36/59/396343659.db2.gz ILZNUJTZINJGJU-UHFFFAOYSA-N 0 0 320.397 0.541 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC1(CO)CCCC1 ZINC000186943408 396360702 /nfs/dbraw/zinc/36/07/02/396360702.db2.gz PTZONKUUQKJELX-UHFFFAOYSA-N 0 0 303.362 0.999 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)c2cnn(C)c2)C12CCOCC2 ZINC000187067641 396362324 /nfs/dbraw/zinc/36/23/24/396362324.db2.gz JSWXKUFMZCWBPI-QWHCGFSZSA-N 0 0 321.377 0.693 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000187866859 396375145 /nfs/dbraw/zinc/37/51/45/396375145.db2.gz VYFDYHYYQCISJL-SNVBAGLBSA-N 0 0 301.368 0.675 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000187568127 396371196 /nfs/dbraw/zinc/37/11/96/396371196.db2.gz RDMOILBUTQTOLQ-GFCCVEGCSA-N 0 0 320.397 0.223 10 0 DCAERN CCc1nnc([C@@H]2CN(c3cc(C)nc4ncnn43)CCO2)[nH]1 ZINC000268811945 396373063 /nfs/dbraw/zinc/37/30/63/396373063.db2.gz MGSBOKTZEJNHPT-JTQLQIEISA-N 0 0 314.353 0.691 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000285365754 396349642 /nfs/dbraw/zinc/34/96/42/396349642.db2.gz FCLPSFXRNTZOEO-WBMJQRKESA-N 0 0 304.346 0.077 10 0 DCAERN COCCNC(=O)CN1CCN(Cc2ccc(C)nc2C)CC1 ZINC000186437503 396350169 /nfs/dbraw/zinc/35/01/69/396350169.db2.gz ZVYVJJZUTNSSAH-UHFFFAOYSA-N 0 0 320.437 0.579 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)n(C)c1 ZINC000186478623 396350687 /nfs/dbraw/zinc/35/06/87/396350687.db2.gz HYRQGOKFWTYYEX-UHFFFAOYSA-N 0 0 303.362 0.968 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cn1 ZINC000266115128 396350815 /nfs/dbraw/zinc/35/08/15/396350815.db2.gz NPOGOHWKXLKSOT-LBPRGKRZSA-N 0 0 309.395 0.953 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000188270082 396381212 /nfs/dbraw/zinc/38/12/12/396381212.db2.gz JGUQDKLSHGJITI-GARJFASQSA-N 0 0 302.346 0.927 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1ccccc1C ZINC000188486388 396383083 /nfs/dbraw/zinc/38/30/83/396383083.db2.gz NPTNGTKUVALMSZ-HUUCEWRRSA-N 0 0 320.389 0.814 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000188571335 396383604 /nfs/dbraw/zinc/38/36/04/396383604.db2.gz TYIKNSXOEMLHNH-GFCCVEGCSA-N 0 0 322.796 0.908 10 0 DCAERN C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](CO)C3)ccc2N1C ZINC000269085149 396384636 /nfs/dbraw/zinc/38/46/36/396384636.db2.gz MAMOOEWCQINPCG-JQWIXIFHSA-N 0 0 319.361 0.297 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3c[nH]c(=S)[nH]3)CCO2)c1 ZINC000193085489 396443400 /nfs/dbraw/zinc/44/34/00/396443400.db2.gz TVYONQIOCPAZKO-JTQLQIEISA-N 0 0 307.379 0.745 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000188887855 396387881 /nfs/dbraw/zinc/38/78/81/396387881.db2.gz CIKAIVWOUCDOGE-LBPRGKRZSA-N 0 0 308.382 0.847 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188865969 396388068 /nfs/dbraw/zinc/38/80/68/396388068.db2.gz JZEBYTYOFFRJOV-LBPRGKRZSA-N 0 0 303.362 0.462 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1sc(C)nc1C ZINC000189043278 396389989 /nfs/dbraw/zinc/38/99/89/396389989.db2.gz MLRUQOYHEUZTBZ-SNVBAGLBSA-N 0 0 318.420 0.532 10 0 DCAERN CC1(C)CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC2(CCCC2)O1 ZINC000189377626 396394175 /nfs/dbraw/zinc/39/41/75/396394175.db2.gz IGBWDYCYGKQQQR-UHFFFAOYSA-N 0 0 321.377 0.487 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000189471204 396395682 /nfs/dbraw/zinc/39/56/82/396395682.db2.gz RSIHAIBINCWHGI-CYBMUJFWSA-N 0 0 314.345 0.738 10 0 DCAERN CN(C)[C@H](CNC(=O)N1CCCN(C)C(=O)C1)c1ccco1 ZINC000189721637 396397763 /nfs/dbraw/zinc/39/77/63/396397763.db2.gz YWFQQAHGQDIBFK-GFCCVEGCSA-N 0 0 308.382 0.756 10 0 DCAERN Cc1cc(N2CCN(C(=O)COC[C@H]3CCOC3)CC2)n[nH]1 ZINC000189746391 396398169 /nfs/dbraw/zinc/39/81/69/396398169.db2.gz VTJBATYMCCZEOU-ZDUSSCGKSA-N 0 0 308.382 0.420 10 0 DCAERN Cn1c2cccc(C(=O)N3CCCN(C)C(=O)C3)c2oc1=O ZINC000189740607 396398457 /nfs/dbraw/zinc/39/84/57/396398457.db2.gz OPHMZOKSGFDMNV-UHFFFAOYSA-N 0 0 303.318 0.436 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189770189 396398891 /nfs/dbraw/zinc/39/88/91/396398891.db2.gz XUHMKXSWHJDSFC-NHYWBVRUSA-N 0 0 304.346 0.906 10 0 DCAERN CCNC(=O)c1cccc(CNC(=O)N2CC(=O)N(CC)C2)c1 ZINC000189773284 396399031 /nfs/dbraw/zinc/39/90/31/396399031.db2.gz PVWWLDFLZDOMTP-UHFFFAOYSA-N 0 0 318.377 0.768 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000189887912 396400403 /nfs/dbraw/zinc/40/04/03/396400403.db2.gz HYLHJVXBPKUQFT-UHFFFAOYSA-N 0 0 317.397 0.755 10 0 DCAERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000190145340 396402594 /nfs/dbraw/zinc/40/25/94/396402594.db2.gz MBOBJGQDIFOCSU-STQMWFEESA-N 0 0 319.409 0.904 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCOCC(F)F)CC2 ZINC000190176230 396402680 /nfs/dbraw/zinc/40/26/80/396402680.db2.gz OFGFPDPRNJGZQZ-VIFPVBQESA-N 0 0 317.340 0.736 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190176169 396402891 /nfs/dbraw/zinc/40/28/91/396402891.db2.gz OZPBPPAWYFRRTJ-WDEREUQCSA-N 0 0 309.370 0.423 10 0 DCAERN CCN1CN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1=O ZINC000190511130 396407111 /nfs/dbraw/zinc/40/71/11/396407111.db2.gz FMHZKONUWWZLJH-UHFFFAOYSA-N 0 0 317.389 0.726 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190673671 396409418 /nfs/dbraw/zinc/40/94/18/396409418.db2.gz JLWIZNUJQNJRLO-QMMMGPOBSA-N 0 0 308.338 0.221 10 0 DCAERN COc1ncc(Cl)c(NC[C@H](O)CN2CCOCC2)n1 ZINC000269369934 396410291 /nfs/dbraw/zinc/41/02/91/396410291.db2.gz PAOAJEFHLUHNMZ-VIFPVBQESA-N 0 0 302.762 0.244 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C(=O)N(C)CC)CC2 ZINC000190711535 396410481 /nfs/dbraw/zinc/41/04/81/396410481.db2.gz JOXWPTFIAIVUIY-GHMZBOCLSA-N 0 0 322.413 0.321 10 0 DCAERN COCCN1CCCN(Cc2nc([C@H](C)OC)no2)CC1=O ZINC000190800509 396411733 /nfs/dbraw/zinc/41/17/33/396411733.db2.gz ACGONHRABYTVNC-NSHDSACASA-N 0 0 312.370 0.458 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)n[nH]1 ZINC000269406874 396412006 /nfs/dbraw/zinc/41/20/06/396412006.db2.gz XRGSNTYSWZGLQN-MFKMUULPSA-N 0 0 306.366 0.784 10 0 DCAERN Cn1cc(N2CCC[C@H](N3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111704 396415743 /nfs/dbraw/zinc/41/57/43/396415743.db2.gz TUUWYNGQPANZOM-ZDUSSCGKSA-N 0 0 305.382 0.080 10 0 DCAERN Cn1cc(N2CCC[C@@H](N3CCCN(C)C(=O)C3)C2=O)cn1 ZINC000191111718 396416110 /nfs/dbraw/zinc/41/61/10/396416110.db2.gz TUUWYNGQPANZOM-CYBMUJFWSA-N 0 0 305.382 0.080 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCCN(C)C(=O)C2)c1 ZINC000191118424 396416236 /nfs/dbraw/zinc/41/62/36/396416236.db2.gz UZOQWAXKGNLBPO-HNNXBMFYSA-N 0 0 320.389 0.793 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)[nH]1 ZINC000191487707 396420337 /nfs/dbraw/zinc/42/03/37/396420337.db2.gz UOVSXAVUFJPKLS-CYBMUJFWSA-N 0 0 321.425 0.794 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1=O ZINC000191509048 396420734 /nfs/dbraw/zinc/42/07/34/396420734.db2.gz FDABSHSQRSZSQI-UHFFFAOYSA-N 0 0 307.354 0.225 10 0 DCAERN CCN1CN(C[C@H](O)COc2cccc(C(C)=O)c2)CC1=O ZINC000191523488 396421334 /nfs/dbraw/zinc/42/13/34/396421334.db2.gz SCNXTSNPSUPABF-AWEZNQCLSA-N 0 0 306.362 0.751 10 0 DCAERN CN(C)C(=O)COc1ccccc1CN1CCCN(C)C(=O)C1 ZINC000191667350 396422888 /nfs/dbraw/zinc/42/28/88/396422888.db2.gz LPCMZWDKAWPPIS-UHFFFAOYSA-N 0 0 319.405 0.818 10 0 DCAERN CCCC(=O)NCC(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C ZINC000191703733 396423350 /nfs/dbraw/zinc/42/33/50/396423350.db2.gz PTSBQJFDWGZAKO-XHDPSFHLSA-N 0 0 300.399 0.585 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccccc1C(N)=O ZINC000192054504 396429329 /nfs/dbraw/zinc/42/93/29/396429329.db2.gz PNFQVLLASIAPDB-ZDUSSCGKSA-N 0 0 313.361 0.879 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC(c3ccncc3)CC2)nn1 ZINC000192275744 396430581 /nfs/dbraw/zinc/43/05/81/396430581.db2.gz VMCRYDXTFOLVCI-UHFFFAOYSA-N 0 0 314.349 0.178 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](CO)C2)cc(C)c1F ZINC000269778387 396445877 /nfs/dbraw/zinc/44/58/77/396445877.db2.gz HTCNBBOBMWFXFN-NSHDSACASA-N 0 0 303.355 0.824 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000192474107 396431733 /nfs/dbraw/zinc/43/17/33/396431733.db2.gz KEKYQWXOYUYALM-OLZOCXBDSA-N 0 0 324.450 0.949 10 0 DCAERN Cn1ncc2c1nc(N1CC(O)(c3ccc(F)cc3)C1)nc2N ZINC000192784335 396437455 /nfs/dbraw/zinc/43/74/55/396437455.db2.gz DNHSRKYTGCILCS-UHFFFAOYSA-N 0 0 314.324 0.792 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000192871953 396439366 /nfs/dbraw/zinc/43/93/66/396439366.db2.gz CNOHZTSPNZJZPU-MFKMUULPSA-N 0 0 315.366 0.836 10 0 DCAERN COCCOC1CN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000516042153 396510960 /nfs/dbraw/zinc/51/09/60/396510960.db2.gz PYPBDONEPPVAEE-UHFFFAOYSA-N 0 0 318.333 0.147 10 0 DCAERN O=S(=O)(N[C@H]1CCCOC1)c1cnn([C@@H]2CCOC2)c1 ZINC000269822851 396449350 /nfs/dbraw/zinc/44/93/50/396449350.db2.gz YOBUFGCVFNYKNQ-WDEREUQCSA-N 0 0 301.368 0.302 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000193363424 396449540 /nfs/dbraw/zinc/44/95/40/396449540.db2.gz YHTKBHKRXPKGGX-UHFFFAOYSA-N 0 0 300.384 0.251 10 0 DCAERN CCCCOC[C@H](O)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000193383202 396449878 /nfs/dbraw/zinc/44/98/78/396449878.db2.gz RPEYLHHOAQGTPK-ZIAGYGMSSA-N 0 0 323.393 0.515 10 0 DCAERN CCCCN(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000372390396 396513631 /nfs/dbraw/zinc/51/36/31/396513631.db2.gz UDTUNXYQFMVBMK-GHMZBOCLSA-N 0 0 318.399 0.462 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]3O)C2)cn1 ZINC000371839015 396478342 /nfs/dbraw/zinc/47/83/42/396478342.db2.gz PCMNPCYQEGVXPB-YDHLFZDLSA-N 0 0 321.425 0.849 10 0 DCAERN O=C(NC[C@H]1CSCCS1)N1CCN2CCOC[C@@H]2C1 ZINC000371987159 396481780 /nfs/dbraw/zinc/48/17/80/396481780.db2.gz VIUOXNHIJCEPHF-RYUDHWBXSA-N 0 0 317.480 0.561 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2nnnn2C)CC1)c1cccs1 ZINC000372015835 396482944 /nfs/dbraw/zinc/48/29/44/396482944.db2.gz OCDVVGRAVQVTEE-SNVBAGLBSA-N 0 0 306.395 0.724 10 0 DCAERN CC1=CCN(CCNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000580089377 396487529 /nfs/dbraw/zinc/48/75/29/396487529.db2.gz XZELPIXTCGEZMT-CYBMUJFWSA-N 0 0 315.439 0.467 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291397456 396487703 /nfs/dbraw/zinc/48/77/03/396487703.db2.gz ZSAMWWZZPDVBRO-LLVKDONJSA-N 0 0 317.336 0.892 10 0 DCAERN CCOc1cccc(CCNC(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000372111243 396489692 /nfs/dbraw/zinc/48/96/92/396489692.db2.gz PVTKDOJLZSXKRM-CQSZACIVSA-N 0 0 321.377 0.524 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000372161140 396493686 /nfs/dbraw/zinc/49/36/86/396493686.db2.gz SZHHYCBPCWHXDM-VXGBXAGGSA-N 0 0 304.412 0.991 10 0 DCAERN COC[C@](C)(O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000581774889 396582512 /nfs/dbraw/zinc/58/25/12/396582512.db2.gz ZBQCAJNRHRETRQ-SCRDCRAPSA-N 0 0 301.383 0.068 10 0 DCAERN Cn1c2cc(O)c(NC(=O)[C@]3(O)CCSC3)cc2n(C)c1=O ZINC000291982859 396523131 /nfs/dbraw/zinc/52/31/31/396523131.db2.gz JYVOBTCDMYOXHP-AWEZNQCLSA-N 0 0 323.374 0.389 10 0 DCAERN O=C(CN1CCCNC1=O)Nc1ccc(N2CCC2=O)cc1 ZINC000520634611 396529645 /nfs/dbraw/zinc/52/96/45/396529645.db2.gz WZUDNOPCGHWNOO-UHFFFAOYSA-N 0 0 302.334 0.777 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N1CCCC12CCC2 ZINC000373130606 396568829 /nfs/dbraw/zinc/56/88/29/396568829.db2.gz NDAQNOWWAOMVLB-UHFFFAOYSA-N 0 0 304.412 0.487 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@H](C)S1(=O)=O ZINC000561803898 396647917 /nfs/dbraw/zinc/64/79/17/396647917.db2.gz HLLRGEHAJWZRQE-GHMZBOCLSA-N 0 0 322.390 0.767 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000374213845 396648362 /nfs/dbraw/zinc/64/83/62/396648362.db2.gz XROWWMVMOOCCNF-WCBMZHEXSA-N 0 0 305.356 0.116 10 0 DCAERN CCOC(=O)C1=CN=C2C=NC(Br)=CN2[C@H]1O ZINC000585656155 396648565 /nfs/dbraw/zinc/64/85/65/396648565.db2.gz JSWLDHCDHSZNLW-VIFPVBQESA-N 0 0 300.112 0.744 10 0 DCAERN O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnn3ccccc23)C1 ZINC000374257701 396651873 /nfs/dbraw/zinc/65/18/73/396651873.db2.gz ZWABTYKBJGIUJP-AWEZNQCLSA-N 0 0 320.418 0.990 10 0 DCAERN O=C(Cc1cccc(F)c1)NCCCN1CCCS1(=O)=O ZINC000585738453 396652220 /nfs/dbraw/zinc/65/22/20/396652220.db2.gz XHFBHPOCFHSUPU-UHFFFAOYSA-N 0 0 314.382 0.910 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581890512 396591385 /nfs/dbraw/zinc/59/13/85/396591385.db2.gz UXTMJCVGWGJSTO-DGCLKSJQSA-N 0 0 318.439 0.922 10 0 DCAERN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCC12CCC2 ZINC000560732543 396624007 /nfs/dbraw/zinc/62/40/07/396624007.db2.gz IBWBXYYCGHSISD-SNVBAGLBSA-N 0 0 319.327 0.894 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560999724 396627466 /nfs/dbraw/zinc/62/74/66/396627466.db2.gz YQWUFRBQRFULIJ-UHFFFAOYSA-N 0 0 318.333 0.731 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC[C@H]1CCCCO1 ZINC000586584541 396661415 /nfs/dbraw/zinc/66/14/15/396661415.db2.gz IRACOVACMFVQRK-GFCCVEGCSA-N 0 0 319.427 0.280 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1nccs1 ZINC000586594356 396661576 /nfs/dbraw/zinc/66/15/76/396661576.db2.gz GGJVYISKBLMPIR-UHFFFAOYSA-N 0 0 318.424 0.368 10 0 DCAERN O=C(Cc1cccc(O)c1)NCCCN1CCCS1(=O)=O ZINC000586763088 396664115 /nfs/dbraw/zinc/66/41/15/396664115.db2.gz RVTYDOXXLOMIPA-UHFFFAOYSA-N 0 0 312.391 0.477 10 0 DCAERN NC(=O)c1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccn1 ZINC000374539879 396670896 /nfs/dbraw/zinc/67/08/96/396670896.db2.gz VBVUELAOXOYUOD-SMDDNHRTSA-N 0 0 305.378 0.582 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000374749828 396685188 /nfs/dbraw/zinc/68/51/88/396685188.db2.gz JOUAPPDGOZXRTG-OCCSQVGLSA-N 0 0 310.394 0.149 10 0 DCAERN O=C(c1cc(-n2cccn2)ccn1)N1CCN2CCOC[C@H]2C1 ZINC000374959887 396700992 /nfs/dbraw/zinc/70/09/92/396700992.db2.gz FESCPCBZQKGQPH-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN O=C(NC1CC1)[C@H](O)C1CCN(c2ncc(Cl)cn2)CC1 ZINC000299750354 396713761 /nfs/dbraw/zinc/71/37/61/396713761.db2.gz NFBSJSVLCRBBOI-GFCCVEGCSA-N 0 0 310.785 0.986 10 0 DCAERN COC(=O)c1cc(CN2CCO[C@@H](C(=O)C3CC3)C2)cn1C ZINC000589517555 396717519 /nfs/dbraw/zinc/71/75/19/396717519.db2.gz NBQZCXVZTQIFGU-CQSZACIVSA-N 0 0 306.362 0.992 10 0 DCAERN Cc1nccn1-c1cncc(N2CCO[C@@]3(CCOC3)C2)n1 ZINC000302212853 396718161 /nfs/dbraw/zinc/71/81/61/396718161.db2.gz FDSWILSILOXDSG-HNNXBMFYSA-N 0 0 301.350 0.966 10 0 DCAERN c1cn2c(nnc2C2CC2)c(N2CCO[C@@]3(CCOC3)C2)n1 ZINC000302233478 396718895 /nfs/dbraw/zinc/71/88/95/396718895.db2.gz ZBWAQSWXHCGMKX-HNNXBMFYSA-N 0 0 301.350 0.997 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000595763998 396659730 /nfs/dbraw/zinc/65/97/30/396659730.db2.gz RVXKYLFCCPKFLR-MNOVXSKESA-N 0 0 306.428 0.682 10 0 DCAERN O=C(NC[C@]1(OCCO)CCOC1)[C@H]1COc2ccccc2O1 ZINC000617717448 396787720 /nfs/dbraw/zinc/78/77/20/396787720.db2.gz HTTPBUXAFPYNGT-GDBMZVCRSA-N 0 0 323.345 0.111 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)s1 ZINC000617716948 396788570 /nfs/dbraw/zinc/78/85/70/396788570.db2.gz ZYNRZEGDPUAYHO-CQSZACIVSA-N 0 0 313.375 0.849 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(c2nc([C@H](C)OC)ns2)C1 ZINC000375699141 396799030 /nfs/dbraw/zinc/79/90/30/396799030.db2.gz WRWRYNIZGWCTLE-IUCAKERBSA-N 0 0 320.440 0.764 10 0 DCAERN Cc1nccn1-c1ncccc1NC(=O)CN1CCOCC1=O ZINC000375681944 396794715 /nfs/dbraw/zinc/79/47/15/396794715.db2.gz AQOJBBWRGWUUOI-UHFFFAOYSA-N 0 0 315.333 0.373 10 0 DCAERN Cc1nc(C2(NC[C@@H](O)CN3CCOCC3)CCCC2)no1 ZINC000304291319 396728938 /nfs/dbraw/zinc/72/89/38/396728938.db2.gz JQVKUBVVPHHZNQ-CYBMUJFWSA-N 0 0 310.398 0.430 10 0 DCAERN CCS(=O)(=O)NCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375438544 396746024 /nfs/dbraw/zinc/74/60/24/396746024.db2.gz PBEWBWLWZFSMBU-NSHDSACASA-N 0 0 314.411 0.676 10 0 DCAERN C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000305699587 396746630 /nfs/dbraw/zinc/74/66/30/396746630.db2.gz BEBMMOPDFZCCAC-MNOVXSKESA-N 0 0 310.398 0.953 10 0 DCAERN O=C(CN1CCCC1=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000600170383 396748187 /nfs/dbraw/zinc/74/81/87/396748187.db2.gz OSIVCXQJMGTKMF-LBPRGKRZSA-N 0 0 317.393 0.941 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000312272876 396763136 /nfs/dbraw/zinc/76/31/36/396763136.db2.gz IPJVHYDQDPKVNX-LLVKDONJSA-N 0 0 322.745 0.090 10 0 DCAERN Cc1ccc(CC(=O)N2CCC(CNS(C)(=O)=O)CC2)o1 ZINC000563947096 396797345 /nfs/dbraw/zinc/79/73/45/396797345.db2.gz AMELTBJMQGKMAV-UHFFFAOYSA-N 0 0 314.407 0.918 10 0 DCAERN COCCn1cc(NC(=O)C(=O)N2CCOCC[C@@H]2C)cn1 ZINC000375523899 396765859 /nfs/dbraw/zinc/76/58/59/396765859.db2.gz FBTUHCNXGPVCIV-NSHDSACASA-N 0 0 310.354 0.105 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@H]3OCC[C@H]3C)C1)C2 ZINC000328625638 396824888 /nfs/dbraw/zinc/82/48/88/396824888.db2.gz DJSRAORDRGZYRN-YGRLFVJLSA-N 0 0 305.382 0.038 10 0 DCAERN NC(=O)c1noc([C@@H]2CCCN2CCCN2CCOCC2)n1 ZINC000328631943 396826774 /nfs/dbraw/zinc/82/67/74/396826774.db2.gz KZOQBCUCRUCJFE-NSHDSACASA-N 0 0 309.370 0.028 10 0 DCAERN CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1c1nccn1C ZINC000328630284 396827185 /nfs/dbraw/zinc/82/71/85/396827185.db2.gz PSSGRWKATDEEQF-IUODEOHRSA-N 0 0 324.450 0.493 10 0 DCAERN Cc1ncccc1O[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000328634572 396827284 /nfs/dbraw/zinc/82/72/84/396827284.db2.gz UEZWRMWSUDDZFG-LBPRGKRZSA-N 0 0 322.390 0.966 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C(=O)[C@@H]3CCCOC3)C1)C2 ZINC000328634072 396827389 /nfs/dbraw/zinc/82/73/89/396827389.db2.gz MMEDOCNAZYXJMQ-GFCCVEGCSA-N 0 0 319.409 0.294 10 0 DCAERN COc1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)cn1 ZINC000328647673 396828271 /nfs/dbraw/zinc/82/82/71/396828271.db2.gz UEBWAFXTTUHCQS-SNVBAGLBSA-N 0 0 303.322 0.909 10 0 DCAERN CCc1nn(C)cc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328640317 396829521 /nfs/dbraw/zinc/82/95/21/396829521.db2.gz QAFNXCVPFSYAGJ-LLVKDONJSA-N 0 0 304.354 0.802 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000375855178 396834248 /nfs/dbraw/zinc/83/42/48/396834248.db2.gz ZILNBXNNOMKWFE-FQUUOJAGSA-N 0 0 310.394 0.365 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1)C(C)C ZINC000629793549 396837081 /nfs/dbraw/zinc/83/70/81/396837081.db2.gz IOIWWIJCOFCUBX-WOPDTQHZSA-N 0 0 310.354 0.485 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCOC1 ZINC000625344870 396842286 /nfs/dbraw/zinc/84/22/86/396842286.db2.gz CIYHWGROQONUFX-LLVKDONJSA-N 0 0 313.398 0.043 10 0 DCAERN CC[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)N1CCCC1=O ZINC000329554757 396846582 /nfs/dbraw/zinc/84/65/82/396846582.db2.gz GUWGHZGTYYZKFD-QLFBSQMISA-N 0 0 323.437 0.709 10 0 DCAERN CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)C1(C)CC1 ZINC000625376026 396850927 /nfs/dbraw/zinc/85/09/27/396850927.db2.gz KXKCUOCWVSBIQM-CQSZACIVSA-N 0 0 318.439 0.074 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCCC1 ZINC000629930692 396889483 /nfs/dbraw/zinc/88/94/83/396889483.db2.gz KDVAEUBEJANLJM-GJZGRUSLSA-N 0 0 321.421 0.951 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333324188 304324024 /nfs/dbraw/zinc/32/40/24/304324024.db2.gz VALUNXDABXNTMY-LOWDOPEQSA-N 0 0 301.408 0.573 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000332993520 396913855 /nfs/dbraw/zinc/91/38/55/396913855.db2.gz MTPSNCZZNAJCFD-OPRDCNLKSA-N 0 0 323.315 0.874 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376412777 396924467 /nfs/dbraw/zinc/92/44/67/396924467.db2.gz SSCYQGMWJIDXCM-VXGBXAGGSA-N 0 0 323.393 0.925 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@](F)(CO)C1 ZINC000376516479 396940082 /nfs/dbraw/zinc/94/00/82/396940082.db2.gz BGGFIUCWRSNDFU-GXFFZTMASA-N 0 0 324.418 0.273 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1Cl ZINC000625599005 396943816 /nfs/dbraw/zinc/94/38/16/396943816.db2.gz VTAZWMURIVOTIK-QWRGUYRKSA-N 0 0 321.782 0.777 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N2CCO[C@H](CC(N)=O)C2)cc1 ZINC000625611950 396949293 /nfs/dbraw/zinc/94/92/93/396949293.db2.gz FKQHMHSFXADTNC-GFCCVEGCSA-N 0 0 310.375 0.595 10 0 DCAERN COC(=O)c1c(C)cccc1S(=O)(=O)NCc1cn(C)nn1 ZINC000611934698 396951921 /nfs/dbraw/zinc/95/19/21/396951921.db2.gz BBNIJVIHNZAEOR-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN c1nc(CN2CCN(c3nccnn3)CC2)nn1-c1ccccc1 ZINC000625642883 396963614 /nfs/dbraw/zinc/96/36/14/396963614.db2.gz BVIMFAHZFNYPJO-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CC[C@@H](CC(N)=O)C1)N1CCOCC1 ZINC000376755126 396974345 /nfs/dbraw/zinc/97/43/45/396974345.db2.gz LHVVNCHLJUUGIN-XQQFMLRXSA-N 0 0 312.414 0.003 10 0 DCAERN CN1C(=O)N(CC(=O)N2CCC[C@@H](O)C2)C(=O)C12CCCCC2 ZINC000377411420 397079207 /nfs/dbraw/zinc/07/92/07/397079207.db2.gz PWBGEFSAFGSXSL-GFCCVEGCSA-N 0 0 323.393 0.567 10 0 DCAERN CN(CCn1cccn1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000572861545 397104152 /nfs/dbraw/zinc/10/41/52/397104152.db2.gz ULIDWZIHGSHKJY-UHFFFAOYSA-N 0 0 312.333 0.628 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000377167862 397041401 /nfs/dbraw/zinc/04/14/01/397041401.db2.gz OEDVGYDATWDHQF-OCCSQVGLSA-N 0 0 305.382 0.126 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN2CC(=O)N(C)C2=O)c1 ZINC000625958606 397041718 /nfs/dbraw/zinc/04/17/18/397041718.db2.gz CWEWIBSVTAHEIC-UHFFFAOYSA-N 0 0 318.333 0.502 10 0 DCAERN CC(=O)N[C@@](C)(C(=O)N(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000619530981 397145420 /nfs/dbraw/zinc/14/54/20/397145420.db2.gz VJUQHQGQGNJCTN-CQSZACIVSA-N 0 0 323.374 0.381 10 0 DCAERN Cn1cccc1C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000377828008 397149453 /nfs/dbraw/zinc/14/94/53/397149453.db2.gz BZQVTPARJIPECT-ZDUSSCGKSA-N 0 0 304.394 0.452 10 0 DCAERN COC(=O)Cc1occc1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000573293941 397153943 /nfs/dbraw/zinc/15/39/43/397153943.db2.gz FNTJGNMCBULXJE-OAHLLOKOSA-N 0 0 309.318 0.627 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000601504411 397156027 /nfs/dbraw/zinc/15/60/27/397156027.db2.gz HAMXJNRVBUGBET-SECBINFHSA-N 0 0 315.338 0.625 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2cccc(OCC(=O)OC)c2)C1=O ZINC000619801612 397195188 /nfs/dbraw/zinc/19/51/88/397195188.db2.gz IDBRODUXIGSDKY-CYBMUJFWSA-N 0 0 320.345 0.589 10 0 DCAERN Cc1nn(C)c2c1N(C(=O)Cn1cc([C@@H](C)O)nn1)CCS2 ZINC000378148878 397200840 /nfs/dbraw/zinc/20/08/40/397200840.db2.gz KJCYZHVJZKQBEF-SECBINFHSA-N 0 0 322.394 0.512 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000364455372 397206393 /nfs/dbraw/zinc/20/63/93/397206393.db2.gz OIRAXJYTQWFIIQ-YTWAJWBKSA-N 0 0 303.380 0.220 10 0 DCAERN CC(=O)CSCC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000598376983 397221950 /nfs/dbraw/zinc/22/19/50/397221950.db2.gz UYYUAQQGMDMHPW-NSHDSACASA-N 0 0 301.412 0.523 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@]1(C)CO ZINC000620439265 397270584 /nfs/dbraw/zinc/27/05/84/397270584.db2.gz FQBQVYGNZNOXLH-QMTHXVAHSA-N 0 0 302.338 0.148 10 0 DCAERN COC[C@@](C)(CO)NC(=O)CCc1ccccc1C(=O)OC ZINC000613533333 397275208 /nfs/dbraw/zinc/27/52/08/397275208.db2.gz BKCPZLJMDAIVJF-MRXNPFEDSA-N 0 0 309.362 0.919 10 0 DCAERN O=S(=O)(CCc1cccs1)N1CCN2CCOC[C@H]2C1 ZINC000365531921 397291795 /nfs/dbraw/zinc/29/17/95/397291795.db2.gz GTAZSCSSAUPQQK-GFCCVEGCSA-N 0 0 316.448 0.637 10 0 DCAERN O=C(NCc1cc[nH]n1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000574774681 397299767 /nfs/dbraw/zinc/29/97/67/397299767.db2.gz SJSVOTBCQASFPO-WCQYABFASA-N 0 0 308.382 0.777 10 0 DCAERN COCC[C@H]1COCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000366081656 397337226 /nfs/dbraw/zinc/33/72/26/397337226.db2.gz BRIXWSCKSUIQME-VIFPVBQESA-N 0 0 323.802 0.500 10 0 DCAERN C[C@H](CN1C[C@H](C)OC2(CCOCC2)C1)CS(C)(=O)=O ZINC000366076157 397337417 /nfs/dbraw/zinc/33/74/17/397337417.db2.gz XUNZTECICQYMFI-OLZOCXBDSA-N 0 0 305.440 0.937 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1nc(C)sc1C ZINC000407962082 397337931 /nfs/dbraw/zinc/33/79/31/397337931.db2.gz LHFVGJWXJYPQSL-SNVBAGLBSA-N 0 0 317.436 0.914 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1=O ZINC000407962661 397339041 /nfs/dbraw/zinc/33/90/41/397339041.db2.gz NNPQRQGAGLRIOS-ZNMIVQPWSA-N 0 0 323.437 0.303 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407968354 397340960 /nfs/dbraw/zinc/34/09/60/397340960.db2.gz FVYLCRNMFFIPST-QWRGUYRKSA-N 0 0 306.410 0.905 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000407969769 397341533 /nfs/dbraw/zinc/34/15/33/397341533.db2.gz YHYCTKFBLOMKCD-UWVGGRQHSA-N 0 0 310.366 0.962 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993788 397343813 /nfs/dbraw/zinc/34/38/13/397343813.db2.gz UGTNLACXQWLCTG-UPJWGTAASA-N 0 0 311.382 0.243 10 0 DCAERN CCn1nncc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408073411 397346238 /nfs/dbraw/zinc/34/62/38/397346238.db2.gz LKNWHYQJBVUACR-YUTCNCBUSA-N 0 0 308.382 0.690 10 0 DCAERN C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cccc(C(N)=O)c2)CCN1C ZINC000408082456 397346269 /nfs/dbraw/zinc/34/62/69/397346269.db2.gz GTOODGLYBAPMJS-GHMZBOCLSA-N 0 0 311.407 0.499 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCCC1 ZINC000408188323 397349259 /nfs/dbraw/zinc/34/92/59/397349259.db2.gz SIPAVYFYJOCAIP-SRVKXCTJSA-N 0 0 301.408 0.573 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cscn1 ZINC000408242452 397351085 /nfs/dbraw/zinc/35/10/85/397351085.db2.gz URROLIOTYJOLRJ-IUCAKERBSA-N 0 0 303.409 0.733 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408333204 397353729 /nfs/dbraw/zinc/35/37/29/397353729.db2.gz AYUPVLSTVWRUMR-ZDEQEGDKSA-N 0 0 318.439 0.778 10 0 DCAERN CCc1cc(CNC(=O)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)on1 ZINC000577882045 397369672 /nfs/dbraw/zinc/36/96/72/397369672.db2.gz KRHYWEIHUFUZRE-VIFPVBQESA-N 0 0 319.365 0.632 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000366560348 397378051 /nfs/dbraw/zinc/37/80/51/397378051.db2.gz PINDYMNJYLLDEV-QNWHQSFQSA-N 0 0 318.439 0.945 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@@]2(OC)CCOC2)n1 ZINC000402032212 397323518 /nfs/dbraw/zinc/32/35/18/397323518.db2.gz ITSLWXDBJUCYBP-GFCCVEGCSA-N 0 0 300.336 0.603 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1nscc1Br ZINC000404750901 397329562 /nfs/dbraw/zinc/32/95/62/397329562.db2.gz WFYPKYGIUAHFSY-YFKPBYRVSA-N 0 0 309.141 0.169 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CC[S@](=O)C2)no1 ZINC000578406881 397431362 /nfs/dbraw/zinc/43/13/62/397431362.db2.gz JSIRHYDCGHTVQW-FHZGZLOMSA-N 0 0 300.384 0.687 10 0 DCAERN Cn1nc([C@H]2CCCN2C(=O)[C@@H](CO)c2ccccc2)nc1N ZINC000614427400 397435930 /nfs/dbraw/zinc/43/59/30/397435930.db2.gz RAAKYJIPIYDBBT-QWHCGFSZSA-N 0 0 315.377 0.667 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)C(=O)N(C)CC3CC3)CC2)c1 ZINC000460019199 397440836 /nfs/dbraw/zinc/44/08/36/397440836.db2.gz YCSRTDVLINQKBK-UHFFFAOYSA-N 0 0 316.405 0.907 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@H](F)C[C@@H]1CO ZINC000366681817 397389494 /nfs/dbraw/zinc/38/94/94/397389494.db2.gz JHIZWSGPOFEZLB-DJLDLDEBSA-N 0 0 312.263 0.329 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CC[C@H]1C(=O)OC)CC2 ZINC000367569503 397403402 /nfs/dbraw/zinc/40/34/02/397403402.db2.gz BLJXQXCQSPNAOQ-UTUOFQBUSA-N 0 0 309.362 0.987 10 0 DCAERN COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000578551291 397453811 /nfs/dbraw/zinc/45/38/11/397453811.db2.gz GTVDMRFFDUBNOZ-BLLLJJGKSA-N 0 0 318.377 0.833 10 0 DCAERN COc1ncc(NC(=O)N2CCOCC[C@H]2C)cc1C(N)=O ZINC000367630154 397405222 /nfs/dbraw/zinc/40/52/22/397405222.db2.gz DRLJJDODRWKTSL-SECBINFHSA-N 0 0 308.338 0.832 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC000487135654 397467408 /nfs/dbraw/zinc/46/74/08/397467408.db2.gz WLYFYDUYZXENTA-BDAKNGLRSA-N 0 0 310.354 0.158 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)C1(O)CCCCC1 ZINC000370345527 397472589 /nfs/dbraw/zinc/47/25/89/397472589.db2.gz ODPXZPOYRRRVMI-ZDUSSCGKSA-N 0 0 310.394 0.578 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CCn2ccccc2=O)CC1 ZINC000614579112 397472704 /nfs/dbraw/zinc/47/27/04/397472704.db2.gz HFFFEPIJONYNQE-UHFFFAOYSA-N 0 0 307.394 0.418 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)CCOC ZINC000488300294 397488913 /nfs/dbraw/zinc/48/89/13/397488913.db2.gz TWNIMKTYWYQOFJ-QWRGUYRKSA-N 0 0 316.398 0.622 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnccc1C ZINC000488300357 397489135 /nfs/dbraw/zinc/48/91/35/397489135.db2.gz ULDUMXRTNDKZFN-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ccc2nccnc2n1 ZINC000579067817 397518929 /nfs/dbraw/zinc/51/89/29/397518929.db2.gz BLCPDCLKANOFBC-NXEZZACHSA-N 0 0 317.349 0.267 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)CC[S@@](=O)C1 ZINC000579791047 397592522 /nfs/dbraw/zinc/59/25/22/397592522.db2.gz XWPKLHVARCCCLZ-LPWZSFRNSA-N 0 0 305.440 0.243 10 0 DCAERN C[C@H](CCO)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000608099166 397716921 /nfs/dbraw/zinc/71/69/21/397716921.db2.gz ILLCZTNXIPAFTN-SECBINFHSA-N 0 0 315.347 0.540 10 0 DCAERN Cc1nnc(CN2CCN(CC(=O)NCc3ccco3)CC2)[nH]1 ZINC000605422534 397664625 /nfs/dbraw/zinc/66/46/25/397664625.db2.gz HCGBVUDVOHJHNF-UHFFFAOYSA-N 0 0 318.381 0.140 10 0 DCAERN Cc1nnc(CN2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)[nH]1 ZINC000605422864 397664794 /nfs/dbraw/zinc/66/47/94/397664794.db2.gz YXMQLPJSQKDXIR-LLVKDONJSA-N 0 0 308.430 0.534 10 0 DCAERN O=C(NCCCC1CC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000605561768 397667897 /nfs/dbraw/zinc/66/78/97/397667897.db2.gz LAVLHIGLLDYYPE-OAHLLOKOSA-N 0 0 323.437 0.474 10 0 DCAERN CCc1n[nH]cc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000608590898 397738677 /nfs/dbraw/zinc/73/86/77/397738677.db2.gz HWVJEOQHMUWQNQ-RMLUDKJBSA-N 0 0 305.338 0.080 10 0 DCAERN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@H]1CC1(C)C ZINC000608648005 397743208 /nfs/dbraw/zinc/74/32/08/397743208.db2.gz VSAYKAQDGNKCMH-KFWWJZLASA-N 0 0 324.469 0.831 10 0 DCAERN CCOCCOCC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000056971633 286102416 /nfs/dbraw/zinc/10/24/16/286102416.db2.gz TZZHBYPQGXZEKG-CQSZACIVSA-N 0 0 302.415 0.513 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)CN(C)S(C)(=O)=O)CCO2)o1 ZINC000133941730 292219677 /nfs/dbraw/zinc/21/96/77/292219677.db2.gz RISBZWQAWUCPOI-LBPRGKRZSA-N 0 0 316.379 0.379 10 0 DCAERN CCS(=O)(=O)CC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373629775 286593330 /nfs/dbraw/zinc/59/33/30/286593330.db2.gz PELGOEJIBWGCLF-CYBMUJFWSA-N 0 0 305.396 0.218 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000376604070 292369318 /nfs/dbraw/zinc/36/93/18/292369318.db2.gz KXVAFBBYMRJFJO-QWRGUYRKSA-N 0 0 309.384 0.005 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247144172 286648969 /nfs/dbraw/zinc/64/89/69/286648969.db2.gz RBVCGNCPYKWYEV-JSGCOSHPSA-N 0 0 318.439 0.422 10 0 DCAERN CCN1CCN(CC(=O)Nc2nc(C(C)C)cs2)C(=O)C1=O ZINC000045877926 158000792 /nfs/dbraw/zinc/00/07/92/158000792.db2.gz CRPAKKKSCMCWLA-UHFFFAOYSA-N 0 0 324.406 0.896 10 0 DCAERN C[C@@H](NC(=O)CNC(N)=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000046699612 158001621 /nfs/dbraw/zinc/00/16/21/158001621.db2.gz FPFBZXOTMDOJCZ-SECBINFHSA-N 0 0 304.350 0.881 10 0 DCAERN NC(=O)NCC(=O)NCCOc1cccc(Br)c1 ZINC000048832673 158008502 /nfs/dbraw/zinc/00/85/02/158008502.db2.gz GOBPSJPAYMFDPU-UHFFFAOYSA-N 0 0 316.155 0.612 10 0 DCAERN NC(=O)CC1CCN(C(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000049394033 158010899 /nfs/dbraw/zinc/01/08/99/158010899.db2.gz GWVFDASLGTZZTM-UHFFFAOYSA-N 0 0 313.361 0.995 10 0 DCAERN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(N)=O ZINC000052567442 158016488 /nfs/dbraw/zinc/01/64/88/158016488.db2.gz BUSRGUGTMCANJN-UHFFFAOYSA-N 0 0 315.377 0.833 10 0 DCAERN Cc1cc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[nH]n1 ZINC000054056444 158020440 /nfs/dbraw/zinc/02/04/40/158020440.db2.gz ZZNYNIZJWUTTPR-UHFFFAOYSA-N 0 0 306.366 0.429 10 0 DCAERN CCc1ccccc1N1C[C@@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000057050345 158024416 /nfs/dbraw/zinc/02/44/16/158024416.db2.gz HXKRIDVPQRZAMT-LBPRGKRZSA-N 0 0 317.389 0.982 10 0 DCAERN CC(C)(NC(=O)CN1CCN(Cc2ccccc2)CC1)C(N)=O ZINC000057257975 158025497 /nfs/dbraw/zinc/02/54/97/158025497.db2.gz YGIGHDHPHMZREE-UHFFFAOYSA-N 0 0 318.421 0.184 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N=c2[nH]c3ccccc3[nH]2)C1=O ZINC000070706350 158049423 /nfs/dbraw/zinc/04/94/23/158049423.db2.gz XOMDIFJJXKGGSD-UHFFFAOYSA-N 0 0 301.306 0.254 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCN(C2CC2)CC1 ZINC000072684345 158052376 /nfs/dbraw/zinc/05/23/76/158052376.db2.gz FAPWHCXYMIVNSY-GFCCVEGCSA-N 0 0 317.455 0.689 10 0 DCAERN CC(C)C[C@H](C)S(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC000074367914 158058423 /nfs/dbraw/zinc/05/84/23/158058423.db2.gz KHPKRMNBOFJCFL-NSHDSACASA-N 0 0 306.428 0.623 10 0 DCAERN Cc1noc(COCC(=O)Nc2cccnc2-n2cncn2)n1 ZINC000074531767 158059084 /nfs/dbraw/zinc/05/90/84/158059084.db2.gz QOOUQOKRLXCZGQ-UHFFFAOYSA-N 0 0 315.293 0.509 10 0 DCAERN O=C(c1ccncc1)N1CCCN(C(=O)[C@H]2CSCN2)CC1 ZINC000075036554 158061194 /nfs/dbraw/zinc/06/11/94/158061194.db2.gz IBUNPJRFNQLHNE-CYBMUJFWSA-N 0 0 320.418 0.419 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000075573903 158062204 /nfs/dbraw/zinc/06/22/04/158062204.db2.gz ZSUUNXHUGAVRFU-QWHCGFSZSA-N 0 0 324.450 0.949 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000075573902 158062495 /nfs/dbraw/zinc/06/24/95/158062495.db2.gz ZSUUNXHUGAVRFU-OLZOCXBDSA-N 0 0 324.450 0.949 10 0 DCAERN NC(=O)[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000075676887 158062534 /nfs/dbraw/zinc/06/25/34/158062534.db2.gz OTUIGWVNDXCORK-AWEZNQCLSA-N 0 0 304.325 0.698 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)ccc1F ZINC000076097800 158063516 /nfs/dbraw/zinc/06/35/16/158063516.db2.gz ZHVTUEIKVPMSAP-RDDDGLTNSA-N 0 0 318.312 0.573 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)NC[C@H]1CCCC[C@H]1O ZINC000077162493 158068088 /nfs/dbraw/zinc/06/80/88/158068088.db2.gz BEPHXJXYUUFEQN-UKRRQHHQSA-N 0 0 320.389 0.849 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077700498 158069047 /nfs/dbraw/zinc/06/90/47/158069047.db2.gz XYICMEIPZAKINO-BDAKNGLRSA-N 0 0 308.317 0.940 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N1CCc2ccccc21)[C@H](C)CO ZINC000077806914 158069833 /nfs/dbraw/zinc/06/98/33/158069833.db2.gz GQYNLNSNWPDPOT-VXGBXAGGSA-N 0 0 305.378 0.892 10 0 DCAERN CC(C)(CNC(=O)NC[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000077752764 158070398 /nfs/dbraw/zinc/07/03/98/158070398.db2.gz XHDHCIPGGVLAOV-KBPBESRZSA-N 0 0 313.442 0.948 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)CC(=O)NC1CCCCC1 ZINC000078883217 158075692 /nfs/dbraw/zinc/07/56/92/158075692.db2.gz YZYFMFRGCJQGHU-SNVBAGLBSA-N 0 0 305.396 0.659 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCOc3ccccc32)CC1=O ZINC000078780719 158075821 /nfs/dbraw/zinc/07/58/21/158075821.db2.gz APPKIIZLURRANY-LBPRGKRZSA-N 0 0 304.346 0.907 10 0 DCAERN CCNC(=O)CN(CC)C(=O)CNC(=O)c1ccccc1C ZINC000078999825 158076395 /nfs/dbraw/zinc/07/63/95/158076395.db2.gz QFBUALJWVHNWLE-UHFFFAOYSA-N 0 0 305.378 0.709 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCc2c[nH]nc2C)C1 ZINC000079129619 158077399 /nfs/dbraw/zinc/07/73/99/158077399.db2.gz DKGVYXDZOSZJHX-CQSZACIVSA-N 0 0 307.398 0.961 10 0 DCAERN COC(=O)[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(C)C ZINC000079461799 158078737 /nfs/dbraw/zinc/07/87/37/158078737.db2.gz DOMSQDWCPXJBMI-ZDUSSCGKSA-N 0 0 305.334 0.643 10 0 DCAERN CCCNC(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079426713 158079097 /nfs/dbraw/zinc/07/90/97/158079097.db2.gz XWOWNCVSYLQPHC-UHFFFAOYSA-N 0 0 302.334 0.569 10 0 DCAERN CCc1cnc(CCNC(=O)CCN2C(=O)CCC2=O)s1 ZINC000081204463 158083505 /nfs/dbraw/zinc/08/35/05/158083505.db2.gz ACBXDQLGKJGTLB-UHFFFAOYSA-N 0 0 309.391 0.903 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(CNC(C)=O)s1 ZINC000081441496 158084024 /nfs/dbraw/zinc/08/40/24/158084024.db2.gz PQRBVDSFNDMLMD-VIFPVBQESA-N 0 0 311.407 0.838 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081486862 158084306 /nfs/dbraw/zinc/08/43/06/158084306.db2.gz AEGFKFDCMOHUCJ-SKDRFNHKSA-N 0 0 323.315 0.706 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000081579054 158086072 /nfs/dbraw/zinc/08/60/72/158086072.db2.gz RWFBPIZADOOPCR-QWRGUYRKSA-N 0 0 312.395 0.362 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Br)o1 ZINC000089753852 158098478 /nfs/dbraw/zinc/09/84/78/158098478.db2.gz WJJKRALWPQEDEH-YFKPBYRVSA-N 0 0 301.096 0.577 10 0 DCAERN COC(=O)c1sccc1NC(=O)CN1CC(O)(C2CC2)C1 ZINC000089678669 158098688 /nfs/dbraw/zinc/09/86/88/158098688.db2.gz FBHXFVSMGGYCNF-UHFFFAOYSA-N 0 0 310.375 0.930 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000091217095 158108186 /nfs/dbraw/zinc/10/81/86/158108186.db2.gz KXVIGZBBIHVWDX-GFCCVEGCSA-N 0 0 323.397 0.348 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000091779001 158109061 /nfs/dbraw/zinc/10/90/61/158109061.db2.gz AARPSRDGLSYJQR-CYBMUJFWSA-N 0 0 312.329 0.470 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOc1cccc(F)c1 ZINC000091785479 158110355 /nfs/dbraw/zinc/11/03/55/158110355.db2.gz MWEMPJJJGHYPMC-ZDUSSCGKSA-N 0 0 310.325 0.697 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000092228582 158112114 /nfs/dbraw/zinc/11/21/14/158112114.db2.gz LNLWYCGHCJBAAD-ZDUSSCGKSA-N 0 0 321.768 0.607 10 0 DCAERN CCOC(=O)CN(C1CC1)S(=O)(=O)c1cn(CC)cn1 ZINC000092910699 158117377 /nfs/dbraw/zinc/11/73/77/158117377.db2.gz FAPGZTITECERGB-UHFFFAOYSA-N 0 0 301.368 0.619 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000092910345 158117488 /nfs/dbraw/zinc/11/74/88/158117488.db2.gz BFOGZXCHHTVIGW-JSGCOSHPSA-N 0 0 307.375 0.840 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798800 158129653 /nfs/dbraw/zinc/12/96/53/158129653.db2.gz RZDVFMHHCRHXHQ-CYBMUJFWSA-N 0 0 312.414 0.065 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)NC3CCCC3)CC2)no1 ZINC000105866679 158130513 /nfs/dbraw/zinc/13/05/13/158130513.db2.gz ORXYTTFYJSFKNY-UHFFFAOYSA-N 0 0 321.425 0.945 10 0 DCAERN Cc1nc(C)c(CCNC(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000108441453 158136055 /nfs/dbraw/zinc/13/60/55/158136055.db2.gz OLBYRPMWJNMZGQ-GFCCVEGCSA-N 0 0 312.439 0.932 10 0 DCAERN C[C@H]1CCC[C@@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000110684452 158138632 /nfs/dbraw/zinc/13/86/32/158138632.db2.gz IPYMHIITZDPVRJ-NWDGAFQWSA-N 0 0 303.428 0.551 10 0 DCAERN CCNC(=O)NC(=O)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000109819639 158138854 /nfs/dbraw/zinc/13/88/54/158138854.db2.gz KDLNWKMAXDTZFE-CYBMUJFWSA-N 0 0 312.414 0.019 10 0 DCAERN O=C(CCn1cncn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000110958424 158140567 /nfs/dbraw/zinc/14/05/67/158140567.db2.gz XOZSJYKHVGCGBN-AWEZNQCLSA-N 0 0 307.398 0.382 10 0 DCAERN O=C(CNC(=O)N[C@@H]1CCc2ncnn2C1)NC1CCCCC1 ZINC000112746825 158143407 /nfs/dbraw/zinc/14/34/07/158143407.db2.gz GRNKZQBRORCUCV-GFCCVEGCSA-N 0 0 320.397 0.341 10 0 DCAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112652694 158143619 /nfs/dbraw/zinc/14/36/19/158143619.db2.gz HRWPKNWXMATHMB-DGCLKSJQSA-N 0 0 314.345 0.989 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000113141645 158145299 /nfs/dbraw/zinc/14/52/99/158145299.db2.gz ZIQZMIOOZLQLEV-SECBINFHSA-N 0 0 322.390 0.867 10 0 DCAERN O=S(=O)(Cc1cccc(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000113298567 158146383 /nfs/dbraw/zinc/14/63/83/158146383.db2.gz XQTWNMMQAOJWBN-LBPRGKRZSA-N 0 0 310.354 0.852 10 0 DCAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCO2 ZINC000113298820 158146429 /nfs/dbraw/zinc/14/64/29/158146429.db2.gz FGXZCZBTOONTAY-NSHDSACASA-N 0 0 320.374 0.506 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000113633111 158148517 /nfs/dbraw/zinc/14/85/17/158148517.db2.gz HTZQMZVDWRRREB-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN CN1C[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000114312978 158151102 /nfs/dbraw/zinc/15/11/02/158151102.db2.gz KCWXLDQZNFXIEC-TZMCWYRMSA-N 0 0 315.373 0.777 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000114328817 158151703 /nfs/dbraw/zinc/15/17/03/158151703.db2.gz JPJPQCDDJDNNNF-GFCCVEGCSA-N 0 0 305.338 0.992 10 0 DCAERN COCCS(=O)(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114500523 158154562 /nfs/dbraw/zinc/15/45/62/158154562.db2.gz JCLPMHAXUTVROR-CYBMUJFWSA-N 0 0 312.391 0.748 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000114862865 158158018 /nfs/dbraw/zinc/15/80/18/158158018.db2.gz CWPBIBOSYOIHEY-OLZOCXBDSA-N 0 0 322.409 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](NC(=O)OC)C(C)C)CC2 ZINC000114870883 158159027 /nfs/dbraw/zinc/15/90/27/158159027.db2.gz HYOOBHASZFJTNG-GWCFXTLKSA-N 0 0 323.397 0.652 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)CC2 ZINC000114869914 158159066 /nfs/dbraw/zinc/15/90/66/158159066.db2.gz WVUOPXCBAZHNJL-LBPRGKRZSA-N 0 0 313.361 0.684 10 0 DCAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC[C@H]1c1ccco1 ZINC000116040373 158162546 /nfs/dbraw/zinc/16/25/46/158162546.db2.gz WILDAWBNPXEXDS-LBPRGKRZSA-N 0 0 312.391 0.674 10 0 DCAERN CCCS(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115581170 158163074 /nfs/dbraw/zinc/16/30/74/158163074.db2.gz GXEASVUYFKJDRG-UHFFFAOYSA-N 0 0 300.428 0.668 10 0 DCAERN CNC(=O)NC(=O)CN1CCN(c2ccc(F)cc2OC)CC1 ZINC000115550567 158163348 /nfs/dbraw/zinc/16/33/48/158163348.db2.gz NPJORHMRDDKFEF-UHFFFAOYSA-N 0 0 324.356 0.412 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cn1 ZINC000115778847 158163408 /nfs/dbraw/zinc/16/34/08/158163408.db2.gz VGPHNNYHQYLTNJ-HNNXBMFYSA-N 0 0 321.425 0.816 10 0 DCAERN CCN1CCN(CC(=O)N2CCC[C@H]2c2ccco2)C(=O)C1=O ZINC000116212322 158164535 /nfs/dbraw/zinc/16/45/35/158164535.db2.gz RMGYWLKSPABIPL-LBPRGKRZSA-N 0 0 319.361 0.634 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2ccccc2F)C1 ZINC000116888639 158167256 /nfs/dbraw/zinc/16/72/56/158167256.db2.gz XIHMYBXKBIZWMY-JTQLQIEISA-N 0 0 315.370 0.388 10 0 DCAERN CCOCCN1CCN(C(=O)c2nccnc2N)C[C@@H]1CC ZINC000116769115 158167425 /nfs/dbraw/zinc/16/74/25/158167425.db2.gz HPCYXTFDLHPHKV-LBPRGKRZSA-N 0 0 307.398 0.632 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116831196 158167690 /nfs/dbraw/zinc/16/76/90/158167690.db2.gz YDOZRKSIDBRUSA-SECBINFHSA-N 0 0 300.384 0.297 10 0 DCAERN CCC(CC)CS(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116904203 158168838 /nfs/dbraw/zinc/16/88/38/158168838.db2.gz UQPPXYQTRXIPPD-LLVKDONJSA-N 0 0 312.457 0.376 10 0 DCAERN CC1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCC1 ZINC000116957773 158168865 /nfs/dbraw/zinc/16/88/65/158168865.db2.gz MAJPOUROTFITDQ-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CCNC(=O)CNC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116970230 158168995 /nfs/dbraw/zinc/16/89/95/158168995.db2.gz YTMHPSIIYKHHHQ-UHFFFAOYSA-N 0 0 319.409 0.794 10 0 DCAERN CC[C@@H]1CN(C(=O)C2=NN(C)C(=O)CC2)CCN1CCOC ZINC000117299723 158169979 /nfs/dbraw/zinc/16/99/79/158169979.db2.gz AOFQPUOUIDZZHC-GFCCVEGCSA-N 0 0 310.398 0.164 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000117610640 158171546 /nfs/dbraw/zinc/17/15/46/158171546.db2.gz MGNBFOASZOZOKS-YMTOWFKASA-N 0 0 300.318 0.872 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1C ZINC000117521796 158172060 /nfs/dbraw/zinc/17/20/60/158172060.db2.gz WODDZDMIKUDCRQ-ZDUSSCGKSA-N 0 0 320.393 0.589 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)OC ZINC000119330666 158185013 /nfs/dbraw/zinc/18/50/13/158185013.db2.gz NJWLCOGMRZXWAU-JTQLQIEISA-N 0 0 311.386 0.984 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000119345343 158185405 /nfs/dbraw/zinc/18/54/05/158185405.db2.gz AVNWJTFROWTZMV-LBPRGKRZSA-N 0 0 315.377 0.609 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)n[nH]1 ZINC000119750128 158190230 /nfs/dbraw/zinc/19/02/30/158190230.db2.gz HBAVPNVHOYJXHK-VIFPVBQESA-N 0 0 302.338 0.617 10 0 DCAERN Cc1noc(CCNC(=O)c2cc(S(C)(=O)=O)cs2)n1 ZINC000119778758 158190989 /nfs/dbraw/zinc/19/09/89/158190989.db2.gz LCISEZLJPHYAQR-UHFFFAOYSA-N 0 0 315.376 0.816 10 0 DCAERN CC(C)OCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119792275 158191303 /nfs/dbraw/zinc/19/13/03/158191303.db2.gz YAZIVWHGCNBUNO-CYBMUJFWSA-N 0 0 318.439 0.828 10 0 DCAERN O=C(c1ccncc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120033984 158192067 /nfs/dbraw/zinc/19/20/67/158192067.db2.gz KOXMWEYSTRHPNV-CYBMUJFWSA-N 0 0 309.391 0.722 10 0 DCAERN CC(C)C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000120120023 158193587 /nfs/dbraw/zinc/19/35/87/158193587.db2.gz HWMXHBKQGWVKEZ-CHWSQXEVSA-N 0 0 319.409 0.860 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000121057144 158206788 /nfs/dbraw/zinc/20/67/88/158206788.db2.gz YEARWMYSSXMVBJ-JTQLQIEISA-N 0 0 303.388 0.073 10 0 DCAERN CNC(=O)CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000121455264 158210123 /nfs/dbraw/zinc/21/01/23/158210123.db2.gz AUBSNYVSJNAKDK-UHFFFAOYSA-N 0 0 300.322 0.750 10 0 DCAERN C[C@H](NC(=O)NCC(=O)N(C)C)c1ccc(-n2ccnn2)cc1 ZINC000121385450 158210653 /nfs/dbraw/zinc/21/06/53/158210653.db2.gz VKDRFMFMLLGBES-NSHDSACASA-N 0 0 316.365 0.716 10 0 DCAERN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000121682223 158213100 /nfs/dbraw/zinc/21/31/00/158213100.db2.gz DBMNZLVLCSJKJY-JKSUJKDBSA-N 0 0 309.454 0.897 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)CC2CCCC2)CCS1(=O)=O ZINC000121905994 158216631 /nfs/dbraw/zinc/21/66/31/158216631.db2.gz AARBCQMKGRAFOF-NSHDSACASA-N 0 0 316.423 0.328 10 0 DCAERN COc1ncccc1CNC(=O)CNC(=O)c1cccnc1 ZINC000122559521 158221861 /nfs/dbraw/zinc/22/18/61/158221861.db2.gz MQGGZKJTCIIJES-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CCc1nnc[nH]1)CC2 ZINC000122836465 158224369 /nfs/dbraw/zinc/22/43/69/158224369.db2.gz DGQQMEONVDOTRZ-SNVBAGLBSA-N 0 0 303.370 0.583 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000123198993 158226606 /nfs/dbraw/zinc/22/66/06/158226606.db2.gz KSAWVTDYXDMXFX-MNOVXSKESA-N 0 0 310.441 0.130 10 0 DCAERN C[C@@H](CNC(=O)N[C@H](CO)c1ccccc1)N1CCOCC1 ZINC000123118089 158226708 /nfs/dbraw/zinc/22/67/08/158226708.db2.gz WILUMYRAHWKCGQ-DZGCQCFKSA-N 0 0 307.394 0.740 10 0 DCAERN Cc1nc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)no1 ZINC000123185139 158227369 /nfs/dbraw/zinc/22/73/69/158227369.db2.gz HLTSVHHYGFXDAY-UHFFFAOYSA-N 0 0 318.337 0.886 10 0 DCAERN CN(C)c1ncc(NC(=O)CNC(=O)Cc2ccccc2)cn1 ZINC000124574402 158243948 /nfs/dbraw/zinc/24/39/48/158243948.db2.gz VYJBYAIOGZRQQV-UHFFFAOYSA-N 0 0 313.361 0.840 10 0 DCAERN CC[C@@H]1CN(C(=O)CSCC(N)=O)CCN1CC(F)F ZINC000125709385 158259460 /nfs/dbraw/zinc/25/94/60/158259460.db2.gz ZDNMPRORLLXSFG-SECBINFHSA-N 0 0 309.382 0.393 10 0 DCAERN CC[C@H]1CN(C(=O)CSCC(N)=O)CCN1CC(F)F ZINC000125709592 158259527 /nfs/dbraw/zinc/25/95/27/158259527.db2.gz ZDNMPRORLLXSFG-VIFPVBQESA-N 0 0 309.382 0.393 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000127612676 158274835 /nfs/dbraw/zinc/27/48/35/158274835.db2.gz MZQZRHPHCLWOSG-CKEIUWERSA-N 0 0 324.421 0.635 10 0 DCAERN CCS(=O)(=O)NCC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000128300276 158279877 /nfs/dbraw/zinc/27/98/77/158279877.db2.gz PQODFRQIHTWDSD-UHFFFAOYSA-N 0 0 309.351 0.350 10 0 DCAERN COCCc1cc(NC(=O)N[C@H]2CCN(C(C)C)C2=O)n(C)n1 ZINC000128319637 158280268 /nfs/dbraw/zinc/28/02/68/158280268.db2.gz KSXBPHSVJUHTBN-LBPRGKRZSA-N 0 0 323.397 0.740 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128448795 158280800 /nfs/dbraw/zinc/28/08/00/158280800.db2.gz FKMYICKOKFYFAD-OCCSQVGLSA-N 0 0 306.362 0.890 10 0 DCAERN CN1CCO[C@H](CNC(=O)CSCc2cscn2)C1 ZINC000128420258 158280979 /nfs/dbraw/zinc/28/09/79/158280979.db2.gz GBBNOQCTAGNEEA-LLVKDONJSA-N 0 0 301.437 0.823 10 0 DCAERN C[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000128894012 158283828 /nfs/dbraw/zinc/28/38/28/158283828.db2.gz USIYQSVYEJZHID-NSHDSACASA-N 0 0 314.407 0.526 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCS1(=O)=O ZINC000129134853 158286360 /nfs/dbraw/zinc/28/63/60/158286360.db2.gz ZQKHRKCKMIFLQU-WXHSDQCUSA-N 0 0 316.423 0.773 10 0 DCAERN CCCC(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000129503619 158289733 /nfs/dbraw/zinc/28/97/33/158289733.db2.gz GRMJJPLFBQHZIH-OAHLLOKOSA-N 0 0 303.362 0.602 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)[C@H](C)CO ZINC000130023495 158293317 /nfs/dbraw/zinc/29/33/17/158293317.db2.gz KHUANXACAHAJMY-RKDXNWHRSA-N 0 0 318.395 0.585 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)CO)N1CCCS1(=O)=O ZINC000131711408 158304473 /nfs/dbraw/zinc/30/44/73/158304473.db2.gz IAQXQQRCJVDTPR-QJPTWQEYSA-N 0 0 306.428 0.180 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C[C@H](O)CN1CCCC1=O ZINC000131997115 158306935 /nfs/dbraw/zinc/30/69/35/158306935.db2.gz ISDKCXHZZAEJBO-DZGCQCFKSA-N 0 0 307.394 0.382 10 0 DCAERN CNC(=O)CC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000133306186 158318318 /nfs/dbraw/zinc/31/83/18/158318318.db2.gz CJBQTCUPPBWFMC-CYBMUJFWSA-N 0 0 319.405 0.660 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000133541611 158320129 /nfs/dbraw/zinc/32/01/29/158320129.db2.gz GGXHTOOANVAOMT-ZDUSSCGKSA-N 0 0 321.381 0.123 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000133664952 158320719 /nfs/dbraw/zinc/32/07/19/158320719.db2.gz DZZUSLPINJQMHE-LOWDOPEQSA-N 0 0 310.419 0.982 10 0 DCAERN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N1CCNC(=O)CC1 ZINC000133756058 158321370 /nfs/dbraw/zinc/32/13/70/158321370.db2.gz NNXRABJJIWMOMW-UHFFFAOYSA-N 0 0 315.251 0.391 10 0 DCAERN CC(C)[C@@H](NC(=O)Cc1ccc(O)cc1)C(=O)N1CCOCC1 ZINC000134192204 158324813 /nfs/dbraw/zinc/32/48/13/158324813.db2.gz SDKKFOJIBUTKCL-MRXNPFEDSA-N 0 0 320.389 0.934 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC[C@H](C)[S@](C)=O)C1CCCC1 ZINC000134861869 158332056 /nfs/dbraw/zinc/33/20/56/158332056.db2.gz MVFHQAKHLXJSSW-QZHJKPJSSA-N 0 0 302.440 0.955 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000135295042 158335369 /nfs/dbraw/zinc/33/53/69/158335369.db2.gz PHDBCVWJSWCFFT-ZYHUDNBSSA-N 0 0 304.412 0.342 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@](C)(O)CO ZINC000135298479 158335450 /nfs/dbraw/zinc/33/54/50/158335450.db2.gz LPYHSZQNUNSUPS-LBPRGKRZSA-N 0 0 318.167 0.931 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135689235 158339770 /nfs/dbraw/zinc/33/97/70/158339770.db2.gz LHJNHVBKAJVQSM-DGCLKSJQSA-N 0 0 312.391 0.742 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNCC(F)(F)F)CC2 ZINC000136856751 158344017 /nfs/dbraw/zinc/34/40/17/158344017.db2.gz HMXHFIDJBLYYAF-SECBINFHSA-N 0 0 319.331 0.984 10 0 DCAERN CC(=O)NCCNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000158625962 158353319 /nfs/dbraw/zinc/35/33/19/158353319.db2.gz FGFPCPOMPINOID-UHFFFAOYSA-N 0 0 305.256 0.889 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000167083793 158366917 /nfs/dbraw/zinc/36/69/17/158366917.db2.gz YFSFBIFRZOKKIF-JTQLQIEISA-N 0 0 314.407 0.826 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000171635196 158385650 /nfs/dbraw/zinc/38/56/50/158385650.db2.gz UZPGFXAGCXTMSC-HZSPNIEDSA-N 0 0 307.398 0.599 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000171761725 158386245 /nfs/dbraw/zinc/38/62/45/158386245.db2.gz QQOLMQMOULTQHC-JSGCOSHPSA-N 0 0 302.334 0.878 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171902363 158388762 /nfs/dbraw/zinc/38/87/62/158388762.db2.gz GHVQTGGNSYRIBK-GFCCVEGCSA-N 0 0 320.397 0.223 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028848 158389433 /nfs/dbraw/zinc/38/94/33/158389433.db2.gz FVFCNXFSOBKZHE-STQMWFEESA-N 0 0 307.398 0.629 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C[C@H](O)Cn1cccn1 ZINC000172261688 158393069 /nfs/dbraw/zinc/39/30/69/158393069.db2.gz YZFUCBPAMPCDGB-NWDGAFQWSA-N 0 0 321.406 0.804 10 0 DCAERN O=C(NCCn1cccn1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172311086 158393265 /nfs/dbraw/zinc/39/32/65/158393265.db2.gz WOFOJAYCAIKNLK-ZDUSSCGKSA-N 0 0 315.381 0.641 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCCOC1)CC2 ZINC000172313239 158393464 /nfs/dbraw/zinc/39/34/64/158393464.db2.gz ZALXQAKGPQDRMP-VXGBXAGGSA-N 0 0 307.398 0.881 10 0 DCAERN COc1ncccc1CNC(=O)CNC(=O)c1ccccn1 ZINC000172507094 158395073 /nfs/dbraw/zinc/39/50/73/158395073.db2.gz LOMIWSIGNHNZRD-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000172573166 158395550 /nfs/dbraw/zinc/39/55/50/158395550.db2.gz JLMOOCTVECOMCE-MNOVXSKESA-N 0 0 306.366 0.934 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750907 158398809 /nfs/dbraw/zinc/39/88/09/158398809.db2.gz DSTYVQMAWLOKOZ-HNNXBMFYSA-N 0 0 320.437 0.903 10 0 DCAERN NC(=O)CCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172797363 158399647 /nfs/dbraw/zinc/39/96/47/158399647.db2.gz UUZVDCOZWVJKQJ-NEPJUHHUSA-N 0 0 304.346 0.943 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000173660972 158408375 /nfs/dbraw/zinc/40/83/75/158408375.db2.gz GKNLCBZJYMRNDG-UHFFFAOYSA-N 0 0 303.384 0.159 10 0 DCAERN CC1(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)COC1 ZINC000174885957 158422601 /nfs/dbraw/zinc/42/26/01/158422601.db2.gz XXEINXFJADMLBL-CQSZACIVSA-N 0 0 311.426 0.919 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175037653 158423213 /nfs/dbraw/zinc/42/32/13/158423213.db2.gz FLIWRNYWLLUFLA-JSGCOSHPSA-N 0 0 310.394 0.699 10 0 DCAERN Cc1cccc(-c2noc(CS(=O)(=O)C[C@@H](O)CO)n2)c1 ZINC000177670248 158449379 /nfs/dbraw/zinc/44/93/79/158449379.db2.gz YYNXJMIUMCMKKN-NSHDSACASA-N 0 0 312.347 0.313 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)C(C)C ZINC000178928158 158466808 /nfs/dbraw/zinc/46/68/08/158466808.db2.gz KKKPMNQVVLYYOY-ZDUSSCGKSA-N 0 0 312.391 0.938 10 0 DCAERN CCN(CCO)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182527206 158493016 /nfs/dbraw/zinc/49/30/16/158493016.db2.gz UGVMJBBGHWCXSN-ZDUSSCGKSA-N 0 0 306.366 0.601 10 0 DCAERN COc1cc(N2CCN(C(=O)CCOC(C)C)CC2)ncn1 ZINC000183830216 158502853 /nfs/dbraw/zinc/50/28/53/158502853.db2.gz JTWLKWKDZQQXCP-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000184964983 158513002 /nfs/dbraw/zinc/51/30/02/158513002.db2.gz WFWNUOBZPAXITP-SECBINFHSA-N 0 0 305.318 0.742 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000185124623 158515107 /nfs/dbraw/zinc/51/51/07/158515107.db2.gz BXELLRRPAQCDCJ-SECBINFHSA-N 0 0 317.340 0.643 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000185677285 158523283 /nfs/dbraw/zinc/52/32/83/158523283.db2.gz ZCZFKGDCQRELTK-NWDGAFQWSA-N 0 0 306.428 0.612 10 0 DCAERN COCCn1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000187740892 158540637 /nfs/dbraw/zinc/54/06/37/158540637.db2.gz ZFRYVXQHCRJTJW-GFCCVEGCSA-N 0 0 303.366 0.893 10 0 DCAERN O=C(c1cn2ccnc2s1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000188457075 158544975 /nfs/dbraw/zinc/54/49/75/158544975.db2.gz GUEAIMSWDDCXRO-MRVPVSSYSA-N 0 0 304.331 0.416 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000188554303 158545824 /nfs/dbraw/zinc/54/58/24/158545824.db2.gz FAWRVKYLLCCYET-BXUZGUMPSA-N 0 0 312.316 0.905 10 0 DCAERN COCCN1CCCN(C(=O)c2c[nH]c(=O)cc2C)CC1=O ZINC000189054164 158549797 /nfs/dbraw/zinc/54/97/97/158549797.db2.gz PIYQPJCBSZGDQM-UHFFFAOYSA-N 0 0 307.350 0.004 10 0 DCAERN C[C@@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000189551845 158553652 /nfs/dbraw/zinc/55/36/52/158553652.db2.gz KWNAKSFLUNKUCF-NTZNESFSSA-N 0 0 322.413 0.814 10 0 DCAERN CNc1nnc(CC(=O)N2CCN(c3cc(C)[nH]n3)CC2)s1 ZINC000189801479 158556183 /nfs/dbraw/zinc/55/61/83/158556183.db2.gz FEXUJUVLTOOSMG-UHFFFAOYSA-N 0 0 321.410 0.503 10 0 DCAERN CN1CCCN(C(=O)CSC[C@@H]2CCCCO2)CC1=O ZINC000189807269 158556297 /nfs/dbraw/zinc/55/62/97/158556297.db2.gz GXLQWMLIHRYVNG-LBPRGKRZSA-N 0 0 300.424 0.979 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000189945047 158556906 /nfs/dbraw/zinc/55/69/06/158556906.db2.gz XCJNXWYWGIGGNQ-GFCCVEGCSA-N 0 0 320.353 0.170 10 0 DCAERN CCNC(=O)CNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000190002898 158557593 /nfs/dbraw/zinc/55/75/93/158557593.db2.gz RMVJNQLXPIFZBM-UHFFFAOYSA-N 0 0 320.397 0.255 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCCN(C)C(=O)C2)cc1C ZINC000190638324 158562165 /nfs/dbraw/zinc/56/21/65/158562165.db2.gz XCAUBNZRYBFWJZ-UHFFFAOYSA-N 0 0 317.389 0.724 10 0 DCAERN COCCN1CCCN([C@H](C(N)=O)c2ccccc2)CC1=O ZINC000190786104 158563198 /nfs/dbraw/zinc/56/31/98/158563198.db2.gz VATKCJNTTHMHGA-HNNXBMFYSA-N 0 0 305.378 0.394 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000190779398 158563299 /nfs/dbraw/zinc/56/32/99/158563299.db2.gz PNJZBGZDFIYKGN-CMPLNLGQSA-N 0 0 304.412 0.199 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1=O ZINC000191045680 158565126 /nfs/dbraw/zinc/56/51/26/158565126.db2.gz SSOZJGTVHADQNT-UHFFFAOYSA-N 0 0 314.345 0.797 10 0 DCAERN CCC[C@@H](C)CS(=O)(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191393678 158567760 /nfs/dbraw/zinc/56/77/60/158567760.db2.gz DZDOYXLQRLVOIO-CYBMUJFWSA-N 0 0 320.455 0.933 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191849513 158571448 /nfs/dbraw/zinc/57/14/48/158571448.db2.gz AASORRMFIPZYJY-AGIUHOORSA-N 0 0 318.439 0.277 10 0 DCAERN COCCNC(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191910029 158572282 /nfs/dbraw/zinc/57/22/82/158572282.db2.gz UPPUFVLXMDZVLH-UHFFFAOYSA-N 0 0 302.334 0.882 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)Cc1ccccc1C(N)=O)CC2 ZINC000192038087 158573178 /nfs/dbraw/zinc/57/31/78/158573178.db2.gz BQVKEBLMXJYKRF-LBPRGKRZSA-N 0 0 313.361 0.359 10 0 DCAERN COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000248028578 158687974 /nfs/dbraw/zinc/68/79/74/158687974.db2.gz JXWUVLMBNRPFQW-IAOVAPTHSA-N 0 0 302.374 0.936 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251511138 158712829 /nfs/dbraw/zinc/71/28/29/158712829.db2.gz CDJQPKNEKJHZCK-TUAOUCFPSA-N 0 0 304.412 0.630 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328601581 159014724 /nfs/dbraw/zinc/01/47/24/159014724.db2.gz FRUBYRXBGKICAV-YPMHNXCESA-N 0 0 315.439 0.011 10 0 DCAERN Cc1cnn(C[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672397 159019902 /nfs/dbraw/zinc/01/99/02/159019902.db2.gz OGPBFLYMHCSIDI-LSDHHAIUSA-N 0 0 304.394 0.656 10 0 DCAERN Cn1cc([C@]2(C)CN([C@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000328684375 159020319 /nfs/dbraw/zinc/02/03/19/159020319.db2.gz WRKDVZOEUFYLDQ-HOCLYGCPSA-N 0 0 304.394 0.731 10 0 DCAERN Cn1ncc(N2CC(n3ccnn3)C2)c(Br)c1=O ZINC000328697736 159022408 /nfs/dbraw/zinc/02/24/08/159022408.db2.gz LKBBVPOQYOZDMZ-UHFFFAOYSA-N 0 0 311.143 0.196 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000328716144 159024408 /nfs/dbraw/zinc/02/44/08/159024408.db2.gz TWJABCWMOGYXRC-LLVKDONJSA-N 0 0 324.348 0.800 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@]12CCOC2)N1CCCCC1=O ZINC000328736793 159025402 /nfs/dbraw/zinc/02/54/02/159025402.db2.gz JWWJYQRPIRGZKU-CZUORRHYSA-N 0 0 310.394 0.795 10 0 DCAERN O=C1C[C@H](NS(=O)(=O)C[C@@H]2CCOC2)[C@H]2CCCCN12 ZINC000328752710 159026159 /nfs/dbraw/zinc/02/61/59/159026159.db2.gz RZENEMXHCHXHJE-GRYCIOLGSA-N 0 0 302.396 0.096 10 0 DCAERN C[C@H](CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCCCC1=O ZINC000328774171 159028097 /nfs/dbraw/zinc/02/80/97/159028097.db2.gz RZBMKDLPAYZUGN-MNOVXSKESA-N 0 0 322.365 0.380 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328857364 159034793 /nfs/dbraw/zinc/03/47/93/159034793.db2.gz XVEKPGJXWYWHBF-MCIONIFRSA-N 0 0 317.455 0.368 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328892039 159037696 /nfs/dbraw/zinc/03/76/96/159037696.db2.gz SVQPNPOYXHNDGM-BFHYXJOUSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328900066 159038869 /nfs/dbraw/zinc/03/88/69/159038869.db2.gz XYBJCTHSNVIPIW-ZIAGYGMSSA-N 0 0 322.409 0.347 10 0 DCAERN Cc1cc(COCC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)on1 ZINC000328905460 159039967 /nfs/dbraw/zinc/03/99/67/159039967.db2.gz KAKPRLBUXJZLAT-KBPBESRZSA-N 0 0 309.366 0.431 10 0 DCAERN COCc1ncsc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328904991 159040249 /nfs/dbraw/zinc/04/02/49/159040249.db2.gz JROZDODYPAEBFB-NEPJUHHUSA-N 0 0 311.407 0.835 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000328933121 159044053 /nfs/dbraw/zinc/04/40/53/159044053.db2.gz ILUAGSXZAFSPKX-NEPJUHHUSA-N 0 0 313.365 0.777 10 0 DCAERN Cn1cnn(CCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O ZINC000328952250 159046048 /nfs/dbraw/zinc/04/60/48/159046048.db2.gz XPFYLHAISBWLAZ-SWLSCSKDSA-N 0 0 308.382 0.126 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CCC[C@H]1Cn1ccnn1 ZINC000329033146 159053543 /nfs/dbraw/zinc/05/35/43/159053543.db2.gz QIXOITPLLNAHEC-NSHDSACASA-N 0 0 302.338 0.562 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cn1cccnc1=O ZINC000329106151 159063099 /nfs/dbraw/zinc/06/30/99/159063099.db2.gz DGKCKTNZIYJPJQ-ZDUSSCGKSA-N 0 0 315.377 0.957 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000329143105 159066457 /nfs/dbraw/zinc/06/64/57/159066457.db2.gz VKAWBFPYUSYMBI-BBRMVZONSA-N 0 0 320.393 0.109 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](n3cccn3)C2)C1 ZINC000329146903 159067790 /nfs/dbraw/zinc/06/77/90/159067790.db2.gz XKHFGGYQZHFXSB-GDBMZVCRSA-N 0 0 320.393 0.420 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329198836 159072484 /nfs/dbraw/zinc/07/24/84/159072484.db2.gz WSIUZVQGMVYQCM-QWRGUYRKSA-N 0 0 316.365 0.579 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCn3ccnc3C2)ncn1 ZINC000329230508 159074849 /nfs/dbraw/zinc/07/48/49/159074849.db2.gz KBKCUTVCPKRQJB-GFCCVEGCSA-N 0 0 300.366 0.654 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)O1 ZINC000329248104 159076514 /nfs/dbraw/zinc/07/65/14/159076514.db2.gz SHLDDFINNSXBCC-RQJABVFESA-N 0 0 310.394 0.792 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@@H](C)N(C)C3=O)C2=O)n(C)n1 ZINC000329276101 159078270 /nfs/dbraw/zinc/07/82/70/159078270.db2.gz IWXZJWBRBLVWIM-GHMZBOCLSA-N 0 0 319.365 0.506 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC[C@@H]2c2noc(C)n2)CC1=O ZINC000329282801 159078893 /nfs/dbraw/zinc/07/88/93/159078893.db2.gz KYQLPJAUJPMTSA-NWDGAFQWSA-N 0 0 322.365 0.536 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)sc1C ZINC000329279774 159079133 /nfs/dbraw/zinc/07/91/33/159079133.db2.gz MOPIRPKFAHMVBW-QMMMGPOBSA-N 0 0 305.381 0.685 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CCOCC2(CC2)C1 ZINC000329287324 159079457 /nfs/dbraw/zinc/07/94/57/159079457.db2.gz HFSRVBJTIZQNCZ-UHFFFAOYSA-N 0 0 313.361 0.979 10 0 DCAERN O=C(CN1CCn2ccnc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329350872 159084620 /nfs/dbraw/zinc/08/46/20/159084620.db2.gz TXXFBBVHXSROIK-KGLIPLIRSA-N 0 0 304.394 0.869 10 0 DCAERN Cc1cccc2nc(CN3CCCS(=O)(=O)CC3)cc(=O)n12 ZINC000329367965 159086126 /nfs/dbraw/zinc/08/61/26/159086126.db2.gz LEYNOBOXLAUYSR-UHFFFAOYSA-N 0 0 321.402 0.623 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NC[C@H]2CCc3nccn3C2)CCO1 ZINC000329369163 159086481 /nfs/dbraw/zinc/08/64/81/159086481.db2.gz AJAAVNWJLMSIDM-UPJWGTAASA-N 0 0 313.423 0.932 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)CCS1(=O)=O ZINC000329408444 159089599 /nfs/dbraw/zinc/08/95/99/159089599.db2.gz CLKKEWRIBVMQAJ-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN Cn1nnc2c1C[C@@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329539864 159101098 /nfs/dbraw/zinc/10/10/98/159101098.db2.gz WHAIKWZYUAPCRO-GXFFZTMASA-N 0 0 315.381 0.143 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329591906 159105721 /nfs/dbraw/zinc/10/57/21/159105721.db2.gz ZBWKSZAWWIRWQK-LBPRGKRZSA-N 0 0 324.468 0.520 10 0 DCAERN Cn1nnc(CSCC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000329611843 159106401 /nfs/dbraw/zinc/10/64/01/159106401.db2.gz CIIZYKNYCCGEKZ-GHMZBOCLSA-N 0 0 311.411 0.613 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CC23CCC(CC2)C3)C1 ZINC000329652110 159109122 /nfs/dbraw/zinc/10/91/22/159109122.db2.gz KQRUJQIAUSTMNT-YIFLHPOLSA-N 0 0 303.424 0.978 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000329646878 159109166 /nfs/dbraw/zinc/10/91/66/159109166.db2.gz JQLCEBMDUYWQDN-CDGCEXEKSA-N 0 0 306.366 0.737 10 0 DCAERN O=C(CS(=O)(=O)CC1CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329654938 159109190 /nfs/dbraw/zinc/10/91/90/159109190.db2.gz LXEJQIVAZVUTRS-QWHCGFSZSA-N 0 0 301.408 0.981 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1N1CCOCC1 ZINC000329755586 159117417 /nfs/dbraw/zinc/11/74/17/159117417.db2.gz YCXBGILNEDWYNT-ZFWWWQNUSA-N 0 0 306.410 0.911 10 0 DCAERN Cc1csc(N2CCC(C(=O)N3CC(=O)N(C)C3)CC2)n1 ZINC000329845309 159123760 /nfs/dbraw/zinc/12/37/60/159123760.db2.gz OOFOQFNCQRHVPV-UHFFFAOYSA-N 0 0 308.407 0.926 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329859029 159124060 /nfs/dbraw/zinc/12/40/60/159124060.db2.gz WKNQWOBFVUCARR-CQSZACIVSA-N 0 0 318.439 0.845 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CCO2)o1 ZINC000329881604 159125703 /nfs/dbraw/zinc/12/57/03/159125703.db2.gz OTJHRNPZAATKTQ-LYIQGSDWSA-N 0 0 307.350 0.957 10 0 DCAERN Cn1ccnc1[C@H]1CN(Cc2nnc(C3CC3)n2C)CCN1C ZINC000329895162 159126875 /nfs/dbraw/zinc/12/68/75/159126875.db2.gz BRXVRXCIXRBLHC-CYBMUJFWSA-N 0 0 315.425 0.915 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)[C@@]1(C)CCOC1 ZINC000329912733 159128353 /nfs/dbraw/zinc/12/83/53/159128353.db2.gz BKTLNNGRMVJWJJ-MJVIPROJSA-N 0 0 301.362 0.819 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCCNC(=O)[C@H]1C)n1cccn1 ZINC000329975163 159133089 /nfs/dbraw/zinc/13/30/89/159133089.db2.gz DMTDBJKRNZPMCY-VXGBXAGGSA-N 0 0 321.381 0.480 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C(=O)c1cnn2ccncc12)C1CC1 ZINC000330041711 159137020 /nfs/dbraw/zinc/13/70/20/159137020.db2.gz BXLQHQFINAVLKP-SNVBAGLBSA-N 0 0 322.390 0.767 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000330092454 159140823 /nfs/dbraw/zinc/14/08/23/159140823.db2.gz YSLKKMWJRHEUSW-GFCCVEGCSA-N 0 0 314.411 0.785 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)Cn3cccnc3=O)CCO2)cn1 ZINC000330153211 159145723 /nfs/dbraw/zinc/14/57/23/159145723.db2.gz MOBRMSVNFIDCDN-CYBMUJFWSA-N 0 0 317.349 0.060 10 0 DCAERN CO[C@H]1CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C[C@@H]1OC ZINC000330184491 159148944 /nfs/dbraw/zinc/14/89/44/159148944.db2.gz INCTVVHFFACFNF-QWRGUYRKSA-N 0 0 307.306 0.548 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000330190981 159148949 /nfs/dbraw/zinc/14/89/49/159148949.db2.gz MUOCNUNFGBQOBD-IACUBPJLSA-N 0 0 318.439 0.874 10 0 DCAERN O=S(=O)(CCC1CCOCC1)N1CCc2cncnc2C1 ZINC000330292027 159157624 /nfs/dbraw/zinc/15/76/24/159157624.db2.gz GWVHYVUEFLQSBJ-UHFFFAOYSA-N 0 0 311.407 0.981 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N[C@H]1CCS(=O)(=O)[C@H]1C ZINC000330303193 159158405 /nfs/dbraw/zinc/15/84/05/159158405.db2.gz OZGZNFOLKBWJEO-ONGXEEELSA-N 0 0 321.395 0.988 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CCC2CCOCC2)CC1 ZINC000330360955 159163424 /nfs/dbraw/zinc/16/34/24/159163424.db2.gz XSRHWSSPCVHAIU-CYBMUJFWSA-N 0 0 320.455 0.131 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@@H](CO)CC(F)(F)F)no1 ZINC000330467628 159178147 /nfs/dbraw/zinc/17/81/47/159178147.db2.gz SRYWGLOOMSSPJS-MRVPVSSYSA-N 0 0 302.274 0.716 10 0 DCAERN COc1cc(F)cc(CNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c1 ZINC000330556801 159192151 /nfs/dbraw/zinc/19/21/51/159192151.db2.gz FRUJYUWFOZXENU-MRXNPFEDSA-N 0 0 324.352 0.824 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@@]1(O)CCOC1)CCC2 ZINC000332748962 159212505 /nfs/dbraw/zinc/21/25/05/159212505.db2.gz YDAMVQJLHGFMSS-DOMZBBRYSA-N 0 0 308.382 0.520 10 0 DCAERN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332805361 159213298 /nfs/dbraw/zinc/21/32/98/159213298.db2.gz BNUYTSVELJZHEQ-WRWGMCAJSA-N 0 0 322.327 0.791 10 0 DCAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@]1(CO)CCOC1 ZINC000332862092 159215119 /nfs/dbraw/zinc/21/51/19/159215119.db2.gz PXTSQUUIERIERU-WFASDCNBSA-N 0 0 322.386 0.757 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)CN1CCOCC1 ZINC000332908130 159216743 /nfs/dbraw/zinc/21/67/43/159216743.db2.gz UFZJLXCAZZXDJQ-KBUPBQIOSA-N 0 0 312.410 0.122 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)NC[C@H]3CCCO3)CC(=O)N2C)cnn1C ZINC000332994747 159218896 /nfs/dbraw/zinc/21/88/96/159218896.db2.gz XPFLYIWBKBLUQS-XUJVJEKNSA-N 0 0 320.393 0.543 10 0 DCAERN COCCN1CC(=O)N([C@H]2CCCN(c3cnn(C)c3)C2)C1=O ZINC000348888717 159241528 /nfs/dbraw/zinc/24/15/28/159241528.db2.gz HOJVZHLWLRECHO-LBPRGKRZSA-N 0 0 321.381 0.300 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCC[C@](C)(O)C2)n1 ZINC000359248869 159256133 /nfs/dbraw/zinc/25/61/33/159256133.db2.gz UTNJTPKMAVLYKX-INIZCTEOSA-N 0 0 321.377 0.122 10 0 DCAERN O=C(NCCc1nnc[nH]1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000359747162 159264925 /nfs/dbraw/zinc/26/49/25/159264925.db2.gz BYMSGHRPTAILLL-NSHDSACASA-N 0 0 317.349 0.751 10 0 DCAERN CN1CN(CC(=O)Nc2ccnn2Cc2cccs2)CC1=O ZINC000360474801 159270022 /nfs/dbraw/zinc/27/00/22/159270022.db2.gz RRAQDOZOCBQZLW-UHFFFAOYSA-N 0 0 319.390 0.663 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000367083946 159310808 /nfs/dbraw/zinc/31/08/08/159310808.db2.gz JZVXBEWDZHFGMI-HUUCEWRRSA-N 0 0 302.378 0.565 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000367082730 159311478 /nfs/dbraw/zinc/31/14/78/159311478.db2.gz AGQQXNQXPFPNRK-KGLIPLIRSA-N 0 0 320.418 0.476 10 0 DCAERN CC(=O)CSCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367120731 159314809 /nfs/dbraw/zinc/31/48/09/159314809.db2.gz HWJSHSQXSACSJO-JSGCOSHPSA-N 0 0 315.435 0.993 10 0 DCAERN O=C(CN1CCOCC1=O)NCC1(c2ccccn2)CCC1 ZINC000367327904 159331584 /nfs/dbraw/zinc/33/15/84/159331584.db2.gz VKFGMCZFMWDPOS-UHFFFAOYSA-N 0 0 303.362 0.478 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000367329330 159331744 /nfs/dbraw/zinc/33/17/44/159331744.db2.gz FNLQUSISHUZOQE-NOEPWBJOSA-N 0 0 323.393 0.971 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC[C@](F)(CO)C1)N1CCCC1=O ZINC000367862188 159360947 /nfs/dbraw/zinc/36/09/47/159360947.db2.gz HBOQCZNDHBRWKN-DZGCQCFKSA-N 0 0 300.374 0.956 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000368048433 159372139 /nfs/dbraw/zinc/37/21/39/159372139.db2.gz QNGISXNYBKZJGC-WOPDTQHZSA-N 0 0 303.428 0.155 10 0 DCAERN Cc1c[nH]nc1CN[C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000368239385 159383649 /nfs/dbraw/zinc/38/36/49/159383649.db2.gz GSEJRWMNLBEVCZ-CQSZACIVSA-N 0 0 321.425 0.131 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000368415104 159393302 /nfs/dbraw/zinc/39/33/02/159393302.db2.gz YHVQOXWWEYAKRS-ZIAGYGMSSA-N 0 0 309.410 0.178 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CC(n3ccnn3)C2)c1 ZINC000371618979 159577541 /nfs/dbraw/zinc/57/75/41/159577541.db2.gz NBQVEAJHYAFDBU-UHFFFAOYSA-N 0 0 302.334 0.921 10 0 DCAERN c1c(CN2CCN3CCOC[C@@H]3C2)nnn1Cc1cccnc1 ZINC000371888139 159591753 /nfs/dbraw/zinc/59/17/53/159591753.db2.gz MPLVSGJPDJOUEW-INIZCTEOSA-N 0 0 314.393 0.238 10 0 DCAERN O=C(c1cnc2n1CCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000372148424 159604597 /nfs/dbraw/zinc/60/45/97/159604597.db2.gz DZVFOUFNJBUNPR-ZDUSSCGKSA-N 0 0 315.377 0.957 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1cccc2c1OCCC2 ZINC000372612352 159634198 /nfs/dbraw/zinc/63/41/98/159634198.db2.gz KVSQFVZKUIGSKG-UHFFFAOYSA-N 0 0 313.379 0.682 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000373119519 159662082 /nfs/dbraw/zinc/66/20/82/159662082.db2.gz BLAWNYRRHYJXOM-OOPCZODUSA-N 0 0 316.361 0.817 10 0 DCAERN CN(Cc1ccccc1)C(=O)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000373781466 159699349 /nfs/dbraw/zinc/69/93/49/159699349.db2.gz IAHHNOZQMANUPA-KGLIPLIRSA-N 0 0 303.362 0.828 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CC2)n1 ZINC000407963605 159997926 /nfs/dbraw/zinc/99/79/26/159997926.db2.gz IGKULYQSXUYNSQ-MISXGVKJSA-N 0 0 308.382 0.836 10 0 DCAERN Cn1ncc2c1ncnc2N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000407977097 160000539 /nfs/dbraw/zinc/00/05/39/160000539.db2.gz QXVHLEADIQGWCN-GHMZBOCLSA-N 0 0 324.410 0.636 10 0 DCAERN CCCN(C(=O)N1CCC(OC)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000407976875 160000803 /nfs/dbraw/zinc/00/08/03/160000803.db2.gz NOOOZNHDMAVILD-LBPRGKRZSA-N 0 0 311.382 0.687 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000407977787 160001012 /nfs/dbraw/zinc/00/10/12/160001012.db2.gz YUWLRSQIEZONRX-RWMBFGLXSA-N 0 0 320.455 0.823 10 0 DCAERN CCc1c(C(=O)N2CC(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000407980197 160001627 /nfs/dbraw/zinc/00/16/27/160001627.db2.gz JTJPXEQUQLJAHU-UHFFFAOYSA-N 0 0 316.361 0.287 10 0 DCAERN Cc1ocnc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000407988547 160004579 /nfs/dbraw/zinc/00/45/79/160004579.db2.gz UVIURTDDWDGVJS-LBPRGKRZSA-N 0 0 307.350 0.694 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000407995734 160006239 /nfs/dbraw/zinc/00/62/39/160006239.db2.gz JJQTVJLIPJRQJP-WDEREUQCSA-N 0 0 315.395 0.633 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000407999464 160006988 /nfs/dbraw/zinc/00/69/88/160006988.db2.gz VZETVKNOQMLZCT-QJPTWQEYSA-N 0 0 305.444 0.617 10 0 DCAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@H](CO)C1 ZINC000408003407 160007907 /nfs/dbraw/zinc/00/79/07/160007907.db2.gz RPIAOZLAOBTANI-QWRGUYRKSA-N 0 0 310.316 0.480 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)N1CCCC1 ZINC000408004115 160008511 /nfs/dbraw/zinc/00/85/11/160008511.db2.gz LSMPMLTYBQVETQ-GFCCVEGCSA-N 0 0 303.428 0.660 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(COC)CC1 ZINC000408006598 160008577 /nfs/dbraw/zinc/00/85/77/160008577.db2.gz BAWIYYUSKAIQKT-NSHDSACASA-N 0 0 316.423 0.298 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)n1 ZINC000408003916 160008652 /nfs/dbraw/zinc/00/86/52/160008652.db2.gz YXKFIPGWIBXXNY-LLVKDONJSA-N 0 0 308.382 0.805 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1N1CCOCC1 ZINC000408004148 160008841 /nfs/dbraw/zinc/00/88/41/160008841.db2.gz KOSNLSLUIBWYMW-IUODEOHRSA-N 0 0 305.378 0.970 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000408007769 160009506 /nfs/dbraw/zinc/00/95/06/160009506.db2.gz KJDDGIFFXVUKPJ-CYBMUJFWSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCC(=O)N2CCCCC2)C1 ZINC000408010068 160009803 /nfs/dbraw/zinc/00/98/03/160009803.db2.gz NBIKMAUHNYWZNM-ZDUSSCGKSA-N 0 0 317.455 0.955 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](CCO)C2)C1 ZINC000408011454 160010372 /nfs/dbraw/zinc/01/03/72/160010372.db2.gz RFKUGYUFFXZGPI-CHWSQXEVSA-N 0 0 318.439 0.279 10 0 DCAERN CN(C(=O)NC[C@@H](O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408015427 160010968 /nfs/dbraw/zinc/01/09/68/160010968.db2.gz BSGVCTWMUIORBF-CHWSQXEVSA-N 0 0 318.439 0.756 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015240 160011377 /nfs/dbraw/zinc/01/13/77/160011377.db2.gz ANJZONDWPLHEOH-QJPTWQEYSA-N 0 0 304.412 0.461 10 0 DCAERN CC1CCN(S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000408016651 160012250 /nfs/dbraw/zinc/01/22/50/160012250.db2.gz MCCBOKDSINMZBZ-OLZOCXBDSA-N 0 0 322.471 0.711 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408017385 160012295 /nfs/dbraw/zinc/01/22/95/160012295.db2.gz RQYMVRPQQDYBHD-QWHCGFSZSA-N 0 0 305.444 0.368 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000408017738 160012399 /nfs/dbraw/zinc/01/23/99/160012399.db2.gz VCGZVQREWXPXOZ-JSGCOSHPSA-N 0 0 305.378 0.888 10 0 DCAERN CN(C(=O)N1CCSC[C@H]1CCO)[C@H]1CCS(=O)(=O)C1 ZINC000408018601 160012666 /nfs/dbraw/zinc/01/26/66/160012666.db2.gz UEMINYABIVYRRC-MNOVXSKESA-N 0 0 322.452 0.025 10 0 DCAERN CN(C(=O)NCC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000408019582 160013040 /nfs/dbraw/zinc/01/30/40/160013040.db2.gz YAKPUBMVZYLUOL-NSHDSACASA-N 0 0 304.412 0.510 10 0 DCAERN CO[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020683 160013535 /nfs/dbraw/zinc/01/35/35/160013535.db2.gz FCLFMHNIUKGWAC-MCIONIFRSA-N 0 0 308.382 0.039 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CCO1 ZINC000408020229 160013869 /nfs/dbraw/zinc/01/38/69/160013869.db2.gz CKVKFUOPFJBBOV-TUVASFSCSA-N 0 0 311.426 0.916 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408027651 160015465 /nfs/dbraw/zinc/01/54/65/160015465.db2.gz AKEYJZGHIXXCBZ-CYBMUJFWSA-N 0 0 304.412 0.176 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000408034194 160017985 /nfs/dbraw/zinc/01/79/85/160017985.db2.gz CQEJZFXANNTRLZ-UONOGXRCSA-N 0 0 311.426 0.328 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3cn(C)nc3C)CCN2C)n1 ZINC000408036153 160018844 /nfs/dbraw/zinc/01/88/44/160018844.db2.gz QQHOFORAXYNUBN-GFCCVEGCSA-N 0 0 304.354 0.549 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCc3n[nH]nc3C1)CC2 ZINC000408038251 160019784 /nfs/dbraw/zinc/01/97/84/160019784.db2.gz LQBVJVRTYIINRM-WDEREUQCSA-N 0 0 318.377 0.711 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC000408042283 160020396 /nfs/dbraw/zinc/02/03/96/160020396.db2.gz RDZYEKIVIIIFLL-GGMPTETISA-N 0 0 302.440 0.513 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)[C@H]1CCc3n[nH]nc3C1)CCO2 ZINC000408046458 160021368 /nfs/dbraw/zinc/02/13/68/160021368.db2.gz CEXACIWWDFWREX-PGUXBMHVSA-N 0 0 306.366 0.316 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cncs1 ZINC000408049340 160023215 /nfs/dbraw/zinc/02/32/15/160023215.db2.gz YEHWQAMWWIEJRB-BDAKNGLRSA-N 0 0 303.409 0.733 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)O1 ZINC000408052041 160023544 /nfs/dbraw/zinc/02/35/44/160023544.db2.gz KJEYORBKADFGPR-NDBYEHHHSA-N 0 0 314.357 0.352 10 0 DCAERN CCOC[C@@H]1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049643 160023601 /nfs/dbraw/zinc/02/36/01/160023601.db2.gz CJXGIVCJLNILPR-ZBFHGGJFSA-N 0 0 312.410 0.635 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408050380 160023734 /nfs/dbraw/zinc/02/37/34/160023734.db2.gz IYXBJOKQOCIZQD-SRVKXCTJSA-N 0 0 315.439 0.085 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000408053501 160024177 /nfs/dbraw/zinc/02/41/77/160024177.db2.gz VCQIJVOSCCNOOB-KFWWJZLASA-N 0 0 324.421 0.633 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)C1 ZINC000408053667 160024608 /nfs/dbraw/zinc/02/46/08/160024608.db2.gz IPSOQQLEWVLYSK-JGGQBBKZSA-N 0 0 312.410 0.681 10 0 DCAERN COC1(CNC(=O)[C@]2(O)CCCN(C(C)=O)C2)CCCCC1 ZINC000408057561 160024971 /nfs/dbraw/zinc/02/49/71/160024971.db2.gz WFUOBQOVDZZJFW-INIZCTEOSA-N 0 0 312.410 0.825 10 0 DCAERN CO[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC[C@H]1C ZINC000408059076 160025791 /nfs/dbraw/zinc/02/57/91/160025791.db2.gz BOYJYTYIXMSXFF-NEPJUHHUSA-N 0 0 319.423 0.464 10 0 DCAERN CC(C)[C@H]1C[C@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CCO1 ZINC000408061756 160026485 /nfs/dbraw/zinc/02/64/85/160026485.db2.gz GBDXSIPFLWITFY-BHPKHCPMSA-N 0 0 312.410 0.929 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408066323 160027579 /nfs/dbraw/zinc/02/75/79/160027579.db2.gz XDKYSVSNANOZTL-MCIONIFRSA-N 0 0 310.394 0.291 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NC3CCOCC3)CC2)n1 ZINC000408074289 160030267 /nfs/dbraw/zinc/03/02/67/160030267.db2.gz ZNVODTXYDCSVHF-UHFFFAOYSA-N 0 0 321.381 0.496 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408078259 160031118 /nfs/dbraw/zinc/03/11/18/160031118.db2.gz GVNZNLKEYFNHIC-ZZTKBFGJSA-N 0 0 321.421 0.258 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000408081879 160031886 /nfs/dbraw/zinc/03/18/86/160031886.db2.gz FMEBEZUIMUZARE-GARJFASQSA-N 0 0 306.366 0.640 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408083039 160031915 /nfs/dbraw/zinc/03/19/15/160031915.db2.gz HXEDXASZSNGBLM-GRYCIOLGSA-N 0 0 319.427 0.135 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)NC1CCS(=O)CC1 ZINC000408087941 160032422 /nfs/dbraw/zinc/03/24/22/160032422.db2.gz GTFLVRGSUKHPEP-UHFFFAOYSA-N 0 0 315.439 0.646 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC000408090134 160033471 /nfs/dbraw/zinc/03/34/71/160033471.db2.gz BMHCQYAMMARDDW-AGIUHOORSA-N 0 0 318.439 0.277 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C[C@@H]1O ZINC000408096268 160035063 /nfs/dbraw/zinc/03/50/63/160035063.db2.gz YSICFXRPZOZGDG-MFKMUULPSA-N 0 0 317.345 0.331 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H]1O ZINC000408105158 160036432 /nfs/dbraw/zinc/03/64/32/160036432.db2.gz ODUWYJDJOFRINL-YVECIDJPSA-N 0 0 313.398 0.035 10 0 DCAERN Cc1sc2ncc(C(=O)N3CCO[C@H](CO)C3)c(=O)n2c1C ZINC000408104196 160036625 /nfs/dbraw/zinc/03/66/25/160036625.db2.gz DQBKTYYGWSWOGA-JTQLQIEISA-N 0 0 323.374 0.206 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000408108620 160037065 /nfs/dbraw/zinc/03/70/65/160037065.db2.gz VIRQXVBOOIGHCZ-LLVKDONJSA-N 0 0 301.368 0.413 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000408111768 160037743 /nfs/dbraw/zinc/03/77/43/160037743.db2.gz FAMHWIRHKUTDOL-LBPRGKRZSA-N 0 0 300.362 0.559 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)[C@H]1CNC(=O)C1 ZINC000408114563 160039351 /nfs/dbraw/zinc/03/93/51/160039351.db2.gz DZGGDTWLHGPUCA-IJLUTSLNSA-N 0 0 309.410 0.616 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408116353 160039631 /nfs/dbraw/zinc/03/96/31/160039631.db2.gz PYBDORBVHRUPEZ-GZMMTYOYSA-N 0 0 316.379 0.468 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000408116354 160039754 /nfs/dbraw/zinc/03/97/54/160039754.db2.gz PYBDORBVHRUPEZ-KCJUWKMLSA-N 0 0 316.379 0.468 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)[S@@](C)=O ZINC000408120917 160041142 /nfs/dbraw/zinc/04/11/42/160041142.db2.gz BBWXUASELYEDKB-XTZNXHDOSA-N 0 0 312.457 0.089 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000408125059 160042039 /nfs/dbraw/zinc/04/20/39/160042039.db2.gz VKPKYVLSWAZEHS-MPEURRAXSA-N 0 0 305.378 0.965 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000408136876 160044789 /nfs/dbraw/zinc/04/47/89/160044789.db2.gz BJIRFPAPUFNYQG-GWCFXTLKSA-N 0 0 309.391 0.490 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000408146058 160047443 /nfs/dbraw/zinc/04/74/43/160047443.db2.gz MQSXIASQQCJHCV-CYBMUJFWSA-N 0 0 315.443 0.823 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)o1 ZINC000408145669 160047889 /nfs/dbraw/zinc/04/78/89/160047889.db2.gz KHYIICYCOSGUJU-SECBINFHSA-N 0 0 308.381 0.030 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000408149307 160048448 /nfs/dbraw/zinc/04/84/48/160048448.db2.gz KTJIABXAFYYPML-WDEREUQCSA-N 0 0 314.382 0.916 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)NCCN2CCOCC2)C[C@@H]1O ZINC000408148650 160048606 /nfs/dbraw/zinc/04/86/06/160048606.db2.gz HOXHUAODDPFVFC-KGLIPLIRSA-N 0 0 313.442 0.757 10 0 DCAERN NC(=O)[C@H]1CC[C@H](C(=O)N2CCc3c(F)cc(F)cc3C2)O1 ZINC000408152479 160049393 /nfs/dbraw/zinc/04/93/93/160049393.db2.gz ASOIQJNKNMFYPZ-CHWSQXEVSA-N 0 0 310.300 0.882 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408159681 160049999 /nfs/dbraw/zinc/04/99/99/160049999.db2.gz GRYCOBTZXACPMS-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOCC1(C)C ZINC000408166106 160051270 /nfs/dbraw/zinc/05/12/70/160051270.db2.gz PHLSPPORVNQZJR-UHFFFAOYSA-N 0 0 318.420 0.955 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCOCC1 ZINC000408169377 160051739 /nfs/dbraw/zinc/05/17/39/160051739.db2.gz NUQMPCICVYPETF-STQMWFEESA-N 0 0 305.444 0.273 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000408175598 160052957 /nfs/dbraw/zinc/05/29/57/160052957.db2.gz VRAOKHGTGVLGEJ-AOOOYVTPSA-N 0 0 308.400 0.272 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408183294 160054466 /nfs/dbraw/zinc/05/44/66/160054466.db2.gz PXJIXOCSJNZGMW-GRYCIOLGSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnc1 ZINC000408184354 160054912 /nfs/dbraw/zinc/05/49/12/160054912.db2.gz BFOFVJKQGADOFE-RYUDHWBXSA-N 0 0 314.411 0.184 10 0 DCAERN Cc1cc(C2CCN(C(=O)CS(=O)(=O)N(C)C)CC2)[nH]n1 ZINC000408186095 160055118 /nfs/dbraw/zinc/05/51/18/160055118.db2.gz GGKBIHPOWYUSNI-UHFFFAOYSA-N 0 0 314.411 0.316 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000408187508 160055305 /nfs/dbraw/zinc/05/53/05/160055305.db2.gz ODGIWNIZVADLET-JMJZKYOTSA-N 0 0 315.416 0.995 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)co1 ZINC000408185940 160055551 /nfs/dbraw/zinc/05/55/51/160055551.db2.gz FQZMTRWNXLGGGA-LSJOCFKGSA-N 0 0 314.363 0.031 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(n2ccnc2)CC1 ZINC000408190006 160055947 /nfs/dbraw/zinc/05/59/47/160055947.db2.gz RKZAXMXAZAQHGX-UHFFFAOYSA-N 0 0 319.365 0.377 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)CC(=O)N1 ZINC000408191003 160056219 /nfs/dbraw/zinc/05/62/19/160056219.db2.gz CBEUBFMEIMMCSU-CHWSQXEVSA-N 0 0 319.409 0.374 10 0 DCAERN COC(=O)[C@@]1(NC(=O)[C@H]2CCCCS2(=O)=O)CCSC1 ZINC000408194370 160057059 /nfs/dbraw/zinc/05/70/59/160057059.db2.gz WNUJFCNOAWPMCU-BXKDBHETSA-N 0 0 321.420 0.119 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000408196929 160057240 /nfs/dbraw/zinc/05/72/40/160057240.db2.gz GBLNXEZNFLNHAL-JXQTWKCFSA-N 0 0 310.394 0.509 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1c1ncccc1I ZINC000408195713 160057650 /nfs/dbraw/zinc/05/76/50/160057650.db2.gz TYUSYHQOKXTLKS-HTQZYQBOSA-N 0 0 320.130 0.618 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408202794 160059310 /nfs/dbraw/zinc/05/93/10/160059310.db2.gz OADUHTFQGWPRLS-SECBINFHSA-N 0 0 315.395 0.662 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1CCCSCC1 ZINC000408218498 160062289 /nfs/dbraw/zinc/06/22/89/160062289.db2.gz IRKVQUZTCRFGRB-UHFFFAOYSA-N 0 0 301.455 0.190 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000408219441 160062304 /nfs/dbraw/zinc/06/23/04/160062304.db2.gz NCGKMOBOARLOKB-MNOVXSKESA-N 0 0 313.441 0.250 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(c2ccc(=O)n(C)n2)CC1 ZINC000408219323 160062482 /nfs/dbraw/zinc/06/24/82/160062482.db2.gz MPCXSAFXYFMTQQ-UHFFFAOYSA-N 0 0 314.411 0.031 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(=O)CC2)cn1C ZINC000408217418 160062489 /nfs/dbraw/zinc/06/24/89/160062489.db2.gz YZLJYBATGAMIGR-UHFFFAOYSA-N 0 0 313.379 0.081 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000408221720 160063115 /nfs/dbraw/zinc/06/31/15/160063115.db2.gz KPNIGIUGXGRNRK-HWPZZCPQSA-N 0 0 323.393 0.793 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000408222251 160063245 /nfs/dbraw/zinc/06/32/45/160063245.db2.gz AWLSHEGXRVSCNO-NSHDSACASA-N 0 0 300.424 0.919 10 0 DCAERN C[C@H]1[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC000408232577 160065274 /nfs/dbraw/zinc/06/52/74/160065274.db2.gz UTWOXYVYBUPDNQ-JOYOIKCWSA-N 0 0 301.337 0.310 10 0 DCAERN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408235067 160066259 /nfs/dbraw/zinc/06/62/59/160066259.db2.gz HACBTPVJBHJCRI-WOPDTQHZSA-N 0 0 302.400 0.215 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408239366 160066778 /nfs/dbraw/zinc/06/67/78/160066778.db2.gz YHJVRSYVQOABPA-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN Cc1cc(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n2ncnc2n1 ZINC000408240698 160066821 /nfs/dbraw/zinc/06/68/21/160066821.db2.gz FHWCFJZFZQCQNK-QWRGUYRKSA-N 0 0 324.410 0.705 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000408243646 160067799 /nfs/dbraw/zinc/06/77/99/160067799.db2.gz IZOZAEUIGLUYIC-QJPTWQEYSA-N 0 0 316.423 0.296 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000408267736 160072953 /nfs/dbraw/zinc/07/29/53/160072953.db2.gz DUYNWGMUNVHQHM-JTQLQIEISA-N 0 0 322.386 0.985 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000408270967 160073502 /nfs/dbraw/zinc/07/35/02/160073502.db2.gz TXQIJAIGPZMZAJ-CHWSQXEVSA-N 0 0 318.439 0.541 10 0 DCAERN Cn1nccc1C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408276267 160074144 /nfs/dbraw/zinc/07/41/44/160074144.db2.gz GDRZZGPPWIFNPY-ZJUUUORDSA-N 0 0 300.384 0.010 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C)C[C@H]1C ZINC000408287523 160076562 /nfs/dbraw/zinc/07/65/62/160076562.db2.gz RMHOLTXPZJCOJH-CZUORRHYSA-N 0 0 307.394 0.070 10 0 DCAERN Cc1ccnc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 ZINC000408287534 160076803 /nfs/dbraw/zinc/07/68/03/160076803.db2.gz RPNYVXRFKQMDSY-LBPRGKRZSA-N 0 0 320.418 0.965 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCCC1 ZINC000408287608 160077139 /nfs/dbraw/zinc/07/71/39/160077139.db2.gz SMXVAFYJUNHXMR-JTQLQIEISA-N 0 0 315.399 0.190 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 ZINC000408290080 160077442 /nfs/dbraw/zinc/07/74/42/160077442.db2.gz MENJYIFUDWRGFD-HUUCEWRRSA-N 0 0 317.389 0.543 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000408290085 160077645 /nfs/dbraw/zinc/07/76/45/160077645.db2.gz HNRCJSDJCVWYKR-SECBINFHSA-N 0 0 303.318 0.368 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)C1(N3CCOCC3)CCC1)CCO2 ZINC000408298773 160079447 /nfs/dbraw/zinc/07/94/47/160079447.db2.gz QKBVPKWFVXUNHD-YOEHRIQHSA-N 0 0 324.421 0.648 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408299182 160079997 /nfs/dbraw/zinc/07/99/97/160079997.db2.gz BETPXIUCMUTYHU-NEULZYRMSA-N 0 0 322.405 0.829 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)O[C@H](COC)C1 ZINC000408303394 160080873 /nfs/dbraw/zinc/08/08/73/160080873.db2.gz OWYZPYOIHNLWSG-SDDRHHMPSA-N 0 0 316.423 0.560 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCC1 ZINC000408315083 160083227 /nfs/dbraw/zinc/08/32/27/160083227.db2.gz YMQGSMMEDKRLQK-SNVBAGLBSA-N 0 0 315.313 0.479 10 0 DCAERN O=C([C@H]1CCCN(C(=O)C2(O)CCOCC2)C1)N1CCCC1 ZINC000408312566 160083244 /nfs/dbraw/zinc/08/32/44/160083244.db2.gz BKBGUCZRTWMLKT-ZDUSSCGKSA-N 0 0 310.394 0.389 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@@H]1C ZINC000408321280 160084611 /nfs/dbraw/zinc/08/46/11/160084611.db2.gz QKYPXILRJOQRBG-CABZTGNLSA-N 0 0 321.377 0.668 10 0 DCAERN CC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000408326221 160085723 /nfs/dbraw/zinc/08/57/23/160085723.db2.gz KHPHGWLZCUZMBJ-RISCZKNCSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000408330840 160086153 /nfs/dbraw/zinc/08/61/53/160086153.db2.gz KQAMNIKGHMSAQW-YNEHKIRRSA-N 0 0 318.439 0.589 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc(Br)o2)CC1=O ZINC000408334288 160086914 /nfs/dbraw/zinc/08/69/14/160086914.db2.gz NEZPCLDVCJOSRW-UHFFFAOYSA-N 0 0 323.168 0.852 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)n1 ZINC000408332899 160087086 /nfs/dbraw/zinc/08/70/86/160087086.db2.gz ZSQBEXXNRWKFFX-DGCLKSJQSA-N 0 0 308.382 0.837 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000408341487 160088110 /nfs/dbraw/zinc/08/81/10/160088110.db2.gz RKLXUBXFGNFPON-QWRGUYRKSA-N 0 0 317.411 0.089 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000408345537 160088947 /nfs/dbraw/zinc/08/89/47/160088947.db2.gz LKPDAQINJAVABK-DTORHVGOSA-N 0 0 316.404 0.660 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000408348149 160089797 /nfs/dbraw/zinc/08/97/97/160089797.db2.gz FADIMUCRUCDXJV-NKWVEPMBSA-N 0 0 307.276 0.736 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@](C)(O)C2)c1 ZINC000408348000 160089801 /nfs/dbraw/zinc/08/98/01/160089801.db2.gz XYQQHHMVQNGHQM-CYBMUJFWSA-N 0 0 315.395 0.298 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000408353925 160090190 /nfs/dbraw/zinc/09/01/90/160090190.db2.gz FHNAFNOTPAHSCX-GRYCIOLGSA-N 0 0 310.398 0.339 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3ncc(C)s3)CC2)C1 ZINC000408354255 160090844 /nfs/dbraw/zinc/09/08/44/160090844.db2.gz JCQCHPAJYAYZBI-CYBMUJFWSA-N 0 0 322.434 0.969 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408360173 160091502 /nfs/dbraw/zinc/09/15/02/160091502.db2.gz YGBIFLOIUABGLM-GHMZBOCLSA-N 0 0 317.407 0.611 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ncnn1CC(F)F ZINC000408358972 160091569 /nfs/dbraw/zinc/09/15/69/160091569.db2.gz RNMXIGHYLACLAG-RKDXNWHRSA-N 0 0 308.354 0.551 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN[C@H](c2ccncc2)C1 ZINC000408357176 160091669 /nfs/dbraw/zinc/09/16/69/160091669.db2.gz IZPLLGQHUVCRTB-XUWVNRHRSA-N 0 0 317.389 0.606 10 0 DCAERN Cc1cnc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(O)c1 ZINC000408365167 160092941 /nfs/dbraw/zinc/09/29/41/160092941.db2.gz HDCMFODEHINPLJ-SNVBAGLBSA-N 0 0 313.379 0.249 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[C@H]1O ZINC000408375499 160095353 /nfs/dbraw/zinc/09/53/53/160095353.db2.gz KPWBOGLEWPAIJM-BXUZGUMPSA-N 0 0 301.346 0.626 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1=O ZINC000408381047 160095649 /nfs/dbraw/zinc/09/56/49/160095649.db2.gz GTVKRKBDVAWIGW-NDBYEHHHSA-N 0 0 322.409 0.304 10 0 DCAERN Cc1nnc([C@H](C)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000408381784 160096056 /nfs/dbraw/zinc/09/60/56/160096056.db2.gz ODHPRKMIYZNJLE-INTQDDNPSA-N 0 0 302.400 0.889 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)C[C@@H](C)O1 ZINC000408383991 160096756 /nfs/dbraw/zinc/09/67/56/160096756.db2.gz FFKFXTOLSHVQTH-LPWJVIDDSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)[C@H]1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408391313 160098353 /nfs/dbraw/zinc/09/83/53/160098353.db2.gz CEJMOYJQFAWCJU-STQMWFEESA-N 0 0 302.440 0.610 10 0 DCAERN CC(C)[C@@H]1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408391311 160098471 /nfs/dbraw/zinc/09/84/71/160098471.db2.gz CEJMOYJQFAWCJU-OLZOCXBDSA-N 0 0 302.440 0.610 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000408393591 160099090 /nfs/dbraw/zinc/09/90/90/160099090.db2.gz KGFXPIVKGHZQJB-JQWIXIFHSA-N 0 0 314.411 0.411 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408399238 160100501 /nfs/dbraw/zinc/10/05/01/160100501.db2.gz FYXPWALJHVIESZ-OCCSQVGLSA-N 0 0 305.378 0.726 10 0 DCAERN O=C([C@@H]1CCSC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000408404140 160101426 /nfs/dbraw/zinc/10/14/26/160101426.db2.gz NZCSDTGREYMNQJ-LLVKDONJSA-N 0 0 318.406 0.526 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000408406512 160102237 /nfs/dbraw/zinc/10/22/37/160102237.db2.gz UKMHUAYDOMPJEP-LLVKDONJSA-N 0 0 314.411 0.250 10 0 DCAERN Cc1nc([C@@H](C)NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cs1 ZINC000408434130 160107795 /nfs/dbraw/zinc/10/77/95/160107795.db2.gz PAXNYENLSUGTMB-APPZFPTMSA-N 0 0 318.424 0.585 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000408436000 160107846 /nfs/dbraw/zinc/10/78/46/160107846.db2.gz SECCXZIUSJYENL-YPMHNXCESA-N 0 0 309.391 0.746 10 0 DCAERN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1C[C@@H](O)[C@H](O)C1 ZINC000408443013 160108550 /nfs/dbraw/zinc/10/85/50/160108550.db2.gz OBVKRHCZOIZGIF-HYXCCBOESA-N 0 0 322.449 0.699 10 0 DCAERN CNS(=O)(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000408456007 160112182 /nfs/dbraw/zinc/11/21/82/160112182.db2.gz FXEMNRGVDFGDHU-UHFFFAOYSA-N 0 0 316.452 0.602 10 0 DCAERN CNS(=O)(=O)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000408458435 160113016 /nfs/dbraw/zinc/11/30/16/160113016.db2.gz UFLJGWDKTVMYOU-ZDUSSCGKSA-N 0 0 305.444 0.009 10 0 DCAERN COCC1(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000408460481 160113417 /nfs/dbraw/zinc/11/34/17/160113417.db2.gz OQFPTGYCIHSLAJ-VIFPVBQESA-N 0 0 303.302 0.494 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000408467041 160114187 /nfs/dbraw/zinc/11/41/87/160114187.db2.gz KFZYJIADHYBZJV-QJPTWQEYSA-N 0 0 311.407 0.720 10 0 DCAERN Cc1nnc([C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466608 160114513 /nfs/dbraw/zinc/11/45/13/160114513.db2.gz JIWHCAWUSUYSRJ-LLVKDONJSA-N 0 0 320.397 0.971 10 0 DCAERN Cc1nnc([C@@H](C)N2CC(S(=O)(=O)NC3CCCC3)C2)[nH]1 ZINC000408471082 160115232 /nfs/dbraw/zinc/11/52/32/160115232.db2.gz XUCDSKDQJCYIBB-SECBINFHSA-N 0 0 313.427 0.720 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000408472161 160115891 /nfs/dbraw/zinc/11/58/91/160115891.db2.gz UJORYIRCFVSQJF-LPEHRKFASA-N 0 0 324.299 0.005 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000043886433 286885766 /nfs/dbraw/zinc/88/57/66/286885766.db2.gz LCDMGBYFNRTTSW-LBPRGKRZSA-N 0 0 320.397 0.269 10 0 DCAERN Cc1cccc(S(=O)(=O)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000065522975 286904019 /nfs/dbraw/zinc/90/40/19/286904019.db2.gz FVBARVLOGDGFBA-UHFFFAOYSA-N 0 0 308.359 0.366 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccc(C)n2)CC1=O ZINC000093294744 286937800 /nfs/dbraw/zinc/93/78/00/286937800.db2.gz FEANWOHKPAPDAM-UHFFFAOYSA-N 0 0 306.366 0.390 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000121250645 286954743 /nfs/dbraw/zinc/95/47/43/286954743.db2.gz ZQCDHVNMXHTGQL-OAQYLSRUSA-N 0 0 308.403 0.773 10 0 DCAERN CC[C@H]1CN(C(=O)CN2CSCC2=O)CCN1CC(F)F ZINC000125937217 286968937 /nfs/dbraw/zinc/96/89/37/286968937.db2.gz ONKQCJCWDPHNFQ-JTQLQIEISA-N 0 0 321.393 0.707 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC(C)(C)C(=O)NCC(C)(C)C ZINC000125201407 286965915 /nfs/dbraw/zinc/96/59/15/286965915.db2.gz NTCBECSNKZEPRD-UHFFFAOYSA-N 0 0 322.409 0.795 10 0 DCAERN CCCN(C(=O)C(=O)Nc1cc(CCOC)nn1C)C1CC1 ZINC000126530455 286972033 /nfs/dbraw/zinc/97/20/33/286972033.db2.gz VGWKIMWFASORTA-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN COC[C@H](O)CCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000130828937 286996683 /nfs/dbraw/zinc/99/66/83/286996683.db2.gz JRZHUEZWMPSAFA-CQSZACIVSA-N 0 0 308.378 0.547 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(S(=O)(=O)CC)c2)C1 ZINC000130932032 286996991 /nfs/dbraw/zinc/99/69/91/286996991.db2.gz KSBPZUNBMDENOO-UHFFFAOYSA-N 0 0 324.402 0.688 10 0 DCAERN CC[NH+]1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000132134637 287003827 /nfs/dbraw/zinc/00/38/27/287003827.db2.gz XWGYIDQJYOMZGI-UHFFFAOYSA-N 0 0 316.449 0.803 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)CN1C(=O)CN(C)C1=O ZINC000132533814 287005708 /nfs/dbraw/zinc/00/57/08/287005708.db2.gz WBCCIXZEMBQFIB-UHFFFAOYSA-N 0 0 324.406 0.817 10 0 DCAERN CC(C)C[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131441573 287000416 /nfs/dbraw/zinc/00/04/16/287000416.db2.gz QWAPFMHNJZQBHR-LLVKDONJSA-N 0 0 319.361 0.213 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)SC2CCOCC2)CC1 ZINC000131581952 287001014 /nfs/dbraw/zinc/00/10/14/287001014.db2.gz YKFOXKFWPJNYHS-NSHDSACASA-N 0 0 300.424 0.978 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000137213475 287028310 /nfs/dbraw/zinc/02/83/10/287028310.db2.gz IIMLDWVRDUZFRT-SECBINFHSA-N 0 0 303.366 0.958 10 0 DCAERN CN(C)[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)c1ccco1 ZINC000151093743 287031651 /nfs/dbraw/zinc/03/16/51/287031651.db2.gz PBMAEDRKIYXFEG-LBPRGKRZSA-N 0 0 304.350 0.750 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@H](O)CC)CC2)C1 ZINC000151115149 287032106 /nfs/dbraw/zinc/03/21/06/287032106.db2.gz GIKVYXKXSRTFGZ-UONOGXRCSA-N 0 0 311.426 0.160 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000152183594 287039457 /nfs/dbraw/zinc/03/94/57/287039457.db2.gz JMOJVGYYQVZTOO-NSHDSACASA-N 0 0 316.292 0.751 10 0 DCAERN CCC[C@H]1C(=O)NCCN1Cc1csc(CC(=O)NC)n1 ZINC000152630227 287043122 /nfs/dbraw/zinc/04/31/22/287043122.db2.gz BMFUPJBSPPAPGC-NSHDSACASA-N 0 0 310.423 0.532 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000152785151 287044130 /nfs/dbraw/zinc/04/41/30/287044130.db2.gz NUGMSRULOWNLDB-LLVKDONJSA-N 0 0 321.381 0.216 10 0 DCAERN C[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCOCC1 ZINC000173067882 287052601 /nfs/dbraw/zinc/05/26/01/287052601.db2.gz BEGJKLYHSKSCBQ-LBPRGKRZSA-N 0 0 323.368 0.279 10 0 DCAERN CNC(=O)CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000177134693 287053941 /nfs/dbraw/zinc/05/39/41/287053941.db2.gz BIHFZYRLIUZRCG-VIFPVBQESA-N 0 0 311.773 0.359 10 0 DCAERN C[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000177365917 287054497 /nfs/dbraw/zinc/05/44/97/287054497.db2.gz NZZLISCDEUSART-CXAGYDPISA-N 0 0 318.373 0.980 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186876218 287057789 /nfs/dbraw/zinc/05/77/89/287057789.db2.gz SEQHJEVXMRRPAG-MFKMUULPSA-N 0 0 321.425 0.840 10 0 DCAERN COCCN(CCO)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193389833 287060514 /nfs/dbraw/zinc/06/05/14/287060514.db2.gz AAHOPVCWZKSMKX-UHFFFAOYSA-N 0 0 305.334 0.574 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446460 287069117 /nfs/dbraw/zinc/06/91/17/287069117.db2.gz ZWCUKISTVIGAKL-JQWIXIFHSA-N 0 0 312.332 0.917 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1(C(N)=O)CCCC1 ZINC000245588239 287070962 /nfs/dbraw/zinc/07/09/62/287070962.db2.gz FJLZHKOUELXPOV-KGLIPLIRSA-N 0 0 323.437 0.886 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[C@H](C)O ZINC000245930902 287074275 /nfs/dbraw/zinc/07/42/75/287074275.db2.gz YNAFKGYMEVZRFT-YVECIDJPSA-N 0 0 300.399 0.177 10 0 DCAERN CC(C)C[C@@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000246071402 287076139 /nfs/dbraw/zinc/07/61/39/287076139.db2.gz DKTLOWIUZIRKGV-HZSPNIEDSA-N 0 0 322.471 0.975 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)n1 ZINC000246264415 287080143 /nfs/dbraw/zinc/08/01/43/287080143.db2.gz UOIHNBLDCRZRGO-ZJUUUORDSA-N 0 0 305.425 0.895 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)[C@@H](C)CO1 ZINC000246126169 287077322 /nfs/dbraw/zinc/07/73/22/287077322.db2.gz LUPMBCKOZCJMDT-HBNTYKKESA-N 0 0 315.399 0.057 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993596 287089760 /nfs/dbraw/zinc/08/97/60/287089760.db2.gz GHBORPCVBITATO-JHJVBQTASA-N 0 0 317.455 0.399 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000247048925 287090582 /nfs/dbraw/zinc/09/05/82/287090582.db2.gz QOYXXARHIAAIPF-IJLUTSLNSA-N 0 0 300.424 0.965 10 0 DCAERN C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCS1(=O)=O ZINC000247072407 287090885 /nfs/dbraw/zinc/09/08/85/287090885.db2.gz MTLAKKNEYADKRK-BDAKNGLRSA-N 0 0 314.329 0.269 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000332856524 287091690 /nfs/dbraw/zinc/09/16/90/287091690.db2.gz ZZYUUCPYUFKZIC-LXTVHRRPSA-N 0 0 311.426 0.652 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)Cn2nc3cnccn3c2=O)[C@H]1C ZINC000248456652 287097645 /nfs/dbraw/zinc/09/76/45/287097645.db2.gz NVOLPXNDKDVWOM-GRYCIOLGSA-N 0 0 303.366 0.832 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C[C@H](C)O)[C@@H](C)CO)c1ccccc1 ZINC000248992502 287104832 /nfs/dbraw/zinc/10/48/32/287104832.db2.gz XIGTUEJGBLRROE-HEHGZKQESA-N 0 0 322.405 0.844 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC[C@@H]1O ZINC000249511687 287112409 /nfs/dbraw/zinc/11/24/09/287112409.db2.gz NULAGERVEVPRSZ-UYHMYPTGSA-N 0 0 317.389 0.830 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)C3(C(=O)N(C)C)CC3)CCN2C)n1 ZINC000408060525 287233186 /nfs/dbraw/zinc/23/31/86/287233186.db2.gz JPMUDLLBZORXNV-LLVKDONJSA-N 0 0 321.381 0.062 10 0 DCAERN COC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)CC(C)(C)O1 ZINC000408061268 287233234 /nfs/dbraw/zinc/23/32/34/287233234.db2.gz VSYCHACUMUZOBK-SNVBAGLBSA-N 0 0 305.396 0.216 10 0 DCAERN C[C@@H]1CCCCCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408170495 287248137 /nfs/dbraw/zinc/24/81/37/287248137.db2.gz WVEFLJWELOIHHB-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN Cn1ncc(C(=O)N[C@@H]2CCCNC2=O)c1Br ZINC000379171699 685234988 /nfs/dbraw/zinc/23/49/88/685234988.db2.gz OPJLCZAXDOQTKX-SSDOTTSWSA-N 0 0 301.144 0.191 10 0 DCAERN c1ccc(NCCNc2ccnc(N3CCOCC3)n2)nc1 ZINC000352406336 415164998 /nfs/dbraw/zinc/16/49/98/415164998.db2.gz DTOBRWHKLSQPFP-UHFFFAOYSA-N 0 0 300.366 1.232 10 0 DCAERN CC(=O)NCCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000031243596 415182335 /nfs/dbraw/zinc/18/23/35/415182335.db2.gz GHCHBHSHNBGCCU-HNNXBMFYSA-N 0 0 305.378 0.896 10 0 DCAERN CCN(C(=O)Cn1nc(C)c(N)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000040314916 415197090 /nfs/dbraw/zinc/19/70/90/415197090.db2.gz LTNATFRJWFUTJT-NSHDSACASA-N 0 0 314.411 0.118 10 0 DCAERN C[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000045272222 415246074 /nfs/dbraw/zinc/24/60/74/415246074.db2.gz ZJZNTAZYVJECCG-LBPRGKRZSA-N 0 0 305.378 0.971 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)CN1CCOCC1 ZINC000060531805 415343244 /nfs/dbraw/zinc/34/32/44/415343244.db2.gz FBQNLGQKSUYDGS-CQSZACIVSA-N 0 0 319.405 0.562 10 0 DCAERN O=C(NCCc1ccsc1)NCCN1CCCS1(=O)=O ZINC000061038770 415346153 /nfs/dbraw/zinc/34/61/53/415346153.db2.gz WRQNSGCUTFLNLF-UHFFFAOYSA-N 0 0 317.436 0.625 10 0 DCAERN COc1ccccc1[C@H](C)NC(=O)CN1CCNC(=O)CC1 ZINC000073350288 415417177 /nfs/dbraw/zinc/41/71/77/415417177.db2.gz MWJHJPIFINLJIZ-LBPRGKRZSA-N 0 0 305.378 0.694 10 0 DCAERN COc1ccccc1CN(C)C(=O)CN1CCNC(=O)CC1 ZINC000073350290 415419728 /nfs/dbraw/zinc/41/97/28/415419728.db2.gz BRDCXZCROBIGOH-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN CN(C)C(=O)CNC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067608707 415377560 /nfs/dbraw/zinc/37/75/60/415377560.db2.gz OBEHZTBHTNDTFD-CYBMUJFWSA-N 0 0 320.393 0.073 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000081552032 415483226 /nfs/dbraw/zinc/48/32/26/415483226.db2.gz RPZNTCNPFDLIBO-IUCAKERBSA-N 0 0 316.379 0.746 10 0 DCAERN CN1CC[C@H](N2CCN(Cc3nccn3C(F)F)CC2)C1=O ZINC000081609924 415483593 /nfs/dbraw/zinc/48/35/93/415483593.db2.gz JFGAWAXAICOGND-NSHDSACASA-N 0 0 313.352 0.627 10 0 DCAERN CC[C@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000076071910 415453174 /nfs/dbraw/zinc/45/31/74/415453174.db2.gz QTBHULSRXHATLN-AAEUAGOBSA-N 0 0 313.467 0.939 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cnn1 ZINC000276221283 415453190 /nfs/dbraw/zinc/45/31/90/415453190.db2.gz MUENEYMXHZCFCI-GFCCVEGCSA-N 0 0 306.391 0.921 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cnn1 ZINC000276236455 415455188 /nfs/dbraw/zinc/45/51/88/415455188.db2.gz PSFWGVRFONOELY-LBPRGKRZSA-N 0 0 306.391 0.923 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1 ZINC000087013972 415508251 /nfs/dbraw/zinc/50/82/51/415508251.db2.gz QXRKWXIGKJIHDX-UHFFFAOYSA-N 0 0 301.364 0.451 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000333129990 415564516 /nfs/dbraw/zinc/56/45/16/415564516.db2.gz WOUUCCMYJDRFEK-NDBYEHHHSA-N 0 0 322.427 0.124 10 0 DCAERN Cn1ccc(N2CCC[C@H](N3CCN(C(=O)C4CC4)C3)C2=O)n1 ZINC000333131794 415567883 /nfs/dbraw/zinc/56/78/83/415567883.db2.gz BBFRWQGBIIRZII-ZDUSSCGKSA-N 0 0 317.393 0.427 10 0 DCAERN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000106894396 415650433 /nfs/dbraw/zinc/65/04/33/415650433.db2.gz QFBXODZOBVXING-QMMMGPOBSA-N 0 0 320.802 0.281 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(C)s1 ZINC000103267485 415612581 /nfs/dbraw/zinc/61/25/81/415612581.db2.gz SITHGGMQSJBYFC-UHFFFAOYSA-N 0 0 309.434 0.784 10 0 DCAERN CCCS(=O)(=O)CCN1CCC[C@H](Cn2cncn2)C1 ZINC000105884425 415635485 /nfs/dbraw/zinc/63/54/85/415635485.db2.gz ZSYIIKBEKHUQKF-ZDUSSCGKSA-N 0 0 300.428 0.815 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000333403029 415638950 /nfs/dbraw/zinc/63/89/50/415638950.db2.gz FQUPZPJDVAFSRZ-VNHYZAJKSA-N 0 0 320.393 0.718 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333213167 415584433 /nfs/dbraw/zinc/58/44/33/415584433.db2.gz UYWRVKXQKUUIHR-MPPDQPJWSA-N 0 0 302.396 0.867 10 0 DCAERN C[C@@]1(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333218869 415586028 /nfs/dbraw/zinc/58/60/28/415586028.db2.gz WBYUBNGBRFFEJN-WRWGMCAJSA-N 0 0 307.437 0.672 10 0 DCAERN O=C([C@@H]1CCN1S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000097134250 415586929 /nfs/dbraw/zinc/58/69/29/415586929.db2.gz MNQWLOHAJWUYOV-ZDUSSCGKSA-N 0 0 310.375 0.308 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)N2CC(=O)N(CC3CC3)C2)CCO1 ZINC000333268987 415599062 /nfs/dbraw/zinc/59/90/62/415599062.db2.gz CDMWUGJJQFZZAG-CMPLNLGQSA-N 0 0 302.396 0.395 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000333451658 415652089 /nfs/dbraw/zinc/65/20/89/415652089.db2.gz LWNCNDQPUOUEDD-GHMZBOCLSA-N 0 0 316.365 0.294 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000106901598 415652144 /nfs/dbraw/zinc/65/21/44/415652144.db2.gz FRPNABMVOAPFTR-CABCVRRESA-N 0 0 324.446 0.805 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000333599328 415692493 /nfs/dbraw/zinc/69/24/93/415692493.db2.gz YHQZLQPLDYWRBF-LBPRGKRZSA-N 0 0 315.395 0.644 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000114976238 415723582 /nfs/dbraw/zinc/72/35/82/415723582.db2.gz ZQODBRASYPWWCR-GRYCIOLGSA-N 0 0 307.398 0.974 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)CN(C)C(C)=O)CC1 ZINC000115126723 415725220 /nfs/dbraw/zinc/72/52/20/415725220.db2.gz GGTZSYLPDHHBFF-UHFFFAOYSA-N 0 0 323.368 0.961 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCC(=O)NC3CC3)s2)cn1 ZINC000112165139 415704191 /nfs/dbraw/zinc/70/41/91/415704191.db2.gz XWMNEZLDPQQJDG-UHFFFAOYSA-N 0 0 305.363 0.552 10 0 DCAERN O=C(NCCNc1cc(N2CCC[C@@H]2CO)ncn1)C1CC1 ZINC000112077268 415704692 /nfs/dbraw/zinc/70/46/92/415704692.db2.gz DDLHZZKPIOZSMX-GFCCVEGCSA-N 0 0 305.382 0.376 10 0 DCAERN CO[C@H]1C[C@H](CO)N(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000343745038 415708361 /nfs/dbraw/zinc/70/83/61/415708361.db2.gz RPLMCAZRYGIREG-OLZOCXBDSA-N 0 0 320.393 0.735 10 0 DCAERN CCC(=O)N1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000333678994 415710992 /nfs/dbraw/zinc/71/09/92/415710992.db2.gz DWZKPZNYLMIHBZ-LBPRGKRZSA-N 0 0 305.382 0.346 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112657450 415713476 /nfs/dbraw/zinc/71/34/76/415713476.db2.gz DBWKFEOTLDXWJI-RYUDHWBXSA-N 0 0 305.382 0.500 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCC[C@@H](C)C2)c(C)nn1C ZINC000119255173 415739385 /nfs/dbraw/zinc/73/93/85/415739385.db2.gz LMCHFBMTKQJWCV-SNVBAGLBSA-N 0 0 316.427 0.803 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000333776516 415738916 /nfs/dbraw/zinc/73/89/16/415738916.db2.gz TZHJLOAPTZCFAH-MJBXVCDLSA-N 0 0 321.421 0.224 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCc3ncn(C)n3)CC2=O)cc1 ZINC000120430090 415767092 /nfs/dbraw/zinc/76/70/92/415767092.db2.gz NJJLRGBOPDSZPF-LBPRGKRZSA-N 0 0 313.361 0.793 10 0 DCAERN C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000333936752 415767758 /nfs/dbraw/zinc/76/77/58/415767758.db2.gz KUWJDIZQOWTUSM-CABCVRRESA-N 0 0 303.410 0.832 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1C ZINC000120489059 415768588 /nfs/dbraw/zinc/76/85/88/415768588.db2.gz UCGCERBPHXGLCU-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCS1(=O)=O ZINC000122323652 415832849 /nfs/dbraw/zinc/83/28/49/415832849.db2.gz JWJYZGGCWXMDPO-NSHDSACASA-N 0 0 315.439 0.442 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000122331294 415833352 /nfs/dbraw/zinc/83/33/52/415833352.db2.gz HWRWDHSJXVTJBB-LLVKDONJSA-N 0 0 324.402 0.833 10 0 DCAERN COc1ncc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc1C(N)=O ZINC000122906230 415834873 /nfs/dbraw/zinc/83/48/73/415834873.db2.gz FVIXYAYFDCAJPC-SECBINFHSA-N 0 0 315.333 0.971 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCOC(C)C)CCN1C[C@@H](C)O ZINC000122709489 415835709 /nfs/dbraw/zinc/83/57/09/415835709.db2.gz JKRGMGTUUMKEQG-KGLIPLIRSA-N 0 0 322.471 0.518 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000123234571 415838000 /nfs/dbraw/zinc/83/80/00/415838000.db2.gz HAEOZTDRBBKJBZ-KBPBESRZSA-N 0 0 320.455 0.274 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N1CCC[C@H]1CO ZINC000121009225 415789191 /nfs/dbraw/zinc/78/91/91/415789191.db2.gz ZQXJWPOYGKJOOM-LBPRGKRZSA-N 0 0 315.333 0.189 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCO)ncn1 ZINC000121025345 415789216 /nfs/dbraw/zinc/78/92/16/415789216.db2.gz NFVPKYWYIXNNGU-NEPJUHHUSA-N 0 0 322.413 0.557 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000121675134 415812410 /nfs/dbraw/zinc/81/24/10/415812410.db2.gz FSYNDYCVLQLPNT-UHFFFAOYSA-N 0 0 313.361 0.535 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C)[C@@H]2C)cc1 ZINC000121971379 415821086 /nfs/dbraw/zinc/82/10/86/415821086.db2.gz PWVRJFJYLRGERU-WDEREUQCSA-N 0 0 312.391 0.844 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000125868400 415872030 /nfs/dbraw/zinc/87/20/30/415872030.db2.gz YLQLFQKXBRGZAF-GARJFASQSA-N 0 0 322.427 0.660 10 0 DCAERN CCn1ccnc1CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O ZINC000126713649 415879655 /nfs/dbraw/zinc/87/96/55/415879655.db2.gz GCZNPCHRUHFARQ-OAHLLOKOSA-N 0 0 316.365 0.994 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000128475000 415898896 /nfs/dbraw/zinc/89/88/96/415898896.db2.gz GRLSFNMTCARUKA-CMPLNLGQSA-N 0 0 304.412 0.436 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000130475191 415919040 /nfs/dbraw/zinc/91/90/40/415919040.db2.gz BWNKVSUQYHMPRL-VXGBXAGGSA-N 0 0 308.378 0.787 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1F ZINC000130855670 415923060 /nfs/dbraw/zinc/92/30/60/415923060.db2.gz XCAXXRVWQGLKMS-ZETCQYMHSA-N 0 0 306.297 0.584 10 0 DCAERN Cc1nocc1CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000292976589 415852490 /nfs/dbraw/zinc/85/24/90/415852490.db2.gz MRXSQVBTEIYPCA-SECBINFHSA-N 0 0 315.317 0.895 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000124739771 415853200 /nfs/dbraw/zinc/85/32/00/415853200.db2.gz ZEVYYBQUYBAATA-IACUBPJLSA-N 0 0 309.387 0.933 10 0 DCAERN Cc1c(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)cnn1C ZINC000293406448 415859873 /nfs/dbraw/zinc/85/98/73/415859873.db2.gz MVKYZEHGRMMMSP-SECBINFHSA-N 0 0 313.301 0.416 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000125341850 415864415 /nfs/dbraw/zinc/86/44/15/415864415.db2.gz XMODOIUOKNQKCE-UTUOFQBUSA-N 0 0 304.412 0.773 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000133333869 415944493 /nfs/dbraw/zinc/94/44/93/415944493.db2.gz GVDDTXUOCMBWMN-OCCSQVGLSA-N 0 0 324.402 0.451 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134064193 415953696 /nfs/dbraw/zinc/95/36/96/415953696.db2.gz ZVTSSIPIBBJKTF-JTQLQIEISA-N 0 0 314.411 0.275 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)CN1CCOCC1 ZINC000134388678 415956810 /nfs/dbraw/zinc/95/68/10/415956810.db2.gz ZMUSGSVTCFAFGT-OLZOCXBDSA-N 0 0 306.410 0.914 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(N2CCCC2)nc1 ZINC000153255104 415978203 /nfs/dbraw/zinc/97/82/03/415978203.db2.gz NHNFJXIGGLJEIG-NSHDSACASA-N 0 0 302.334 0.217 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153362150 415978931 /nfs/dbraw/zinc/97/89/31/415978931.db2.gz AZOGUABRNHMYGA-SNVBAGLBSA-N 0 0 315.333 0.190 10 0 DCAERN C[C@@H](CC(=O)N[C@H]1CCC(=O)NC1=O)C(=O)c1cccc(F)c1 ZINC000153421226 415981388 /nfs/dbraw/zinc/98/13/88/415981388.db2.gz AJQFXRHDZOBSIY-CABZTGNLSA-N 0 0 320.320 0.956 10 0 DCAERN C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000155031302 415993007 /nfs/dbraw/zinc/99/30/07/415993007.db2.gz LYLXOQMUEWNYHP-GJZGRUSLSA-N 0 0 318.421 0.887 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H]2CCCn3nc(COC)nc32)CC1=O ZINC000155118145 415993535 /nfs/dbraw/zinc/99/35/35/415993535.db2.gz RYXVOPBXKOCEOQ-WDEREUQCSA-N 0 0 321.381 0.244 10 0 DCAERN O=C(c1cccc(OCC(F)(F)F)n1)N1CCNC(=O)C1 ZINC000158577756 415999011 /nfs/dbraw/zinc/99/90/11/415999011.db2.gz WMWQKVZAGNDQCQ-UHFFFAOYSA-N 0 0 303.240 0.595 10 0 DCAERN CCC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000132280918 415932775 /nfs/dbraw/zinc/93/27/75/415932775.db2.gz ZWGHYQCIMXXPRG-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)N2CCNC(=O)C2)[C@H]1c1ccccc1 ZINC000171790389 416042732 /nfs/dbraw/zinc/04/27/32/416042732.db2.gz DGNVJFJPFDIBKL-XJKSGUPXSA-N 0 0 315.373 0.555 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000172002978 416044155 /nfs/dbraw/zinc/04/41/55/416044155.db2.gz RDHSQNNCVLPOCL-RWSFTLGLSA-N 0 0 314.345 0.938 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172118049 416044504 /nfs/dbraw/zinc/04/45/04/416044504.db2.gz AOGVWMQILHHNQD-GFCCVEGCSA-N 0 0 307.398 0.787 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000172332566 416044976 /nfs/dbraw/zinc/04/49/76/416044976.db2.gz HMGKJNLCLXEGRX-ZJUUUORDSA-N 0 0 314.345 0.697 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2C)[C@@H](C)C1 ZINC000357205837 416045396 /nfs/dbraw/zinc/04/53/96/416045396.db2.gz QBWZSUWALMRHSA-NEPJUHHUSA-N 0 0 303.428 0.658 10 0 DCAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172938509 416049650 /nfs/dbraw/zinc/04/96/50/416049650.db2.gz WQRAYYPKCQOLFR-BVUQATHDSA-N 0 0 314.341 0.803 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173553030 416059468 /nfs/dbraw/zinc/05/94/68/416059468.db2.gz MRRWIKAYERBTCW-ZDUSSCGKSA-N 0 0 323.397 0.710 10 0 DCAERN CC[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)N1CCCC1=O ZINC000173591318 416062278 /nfs/dbraw/zinc/06/22/78/416062278.db2.gz CMILBYORGOVMGS-KGLIPLIRSA-N 0 0 309.410 0.367 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)[nH]1 ZINC000173733494 416063725 /nfs/dbraw/zinc/06/37/25/416063725.db2.gz ATCNFFYZLNZYHD-SECBINFHSA-N 0 0 314.392 0.937 10 0 DCAERN CCCNC(=O)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173789886 416065158 /nfs/dbraw/zinc/06/51/58/416065158.db2.gz TXSORZHLXIWBHR-ZDUSSCGKSA-N 0 0 312.414 0.019 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173840057 416066216 /nfs/dbraw/zinc/06/62/16/416066216.db2.gz GMLVWQPHRVXCHG-CQSZACIVSA-N 0 0 322.409 0.950 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173884347 416067260 /nfs/dbraw/zinc/06/72/60/416067260.db2.gz FRKDMUUERPXCBI-STQMWFEESA-N 0 0 311.426 0.328 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C1 ZINC000357363769 416067903 /nfs/dbraw/zinc/06/79/03/416067903.db2.gz MGGVXLGNQTVWQN-LOWDOPEQSA-N 0 0 300.424 0.759 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173892508 416067998 /nfs/dbraw/zinc/06/79/98/416067998.db2.gz RDKPZSYOPMLKNK-AWEZNQCLSA-N 0 0 307.398 0.308 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000174084757 416072018 /nfs/dbraw/zinc/07/20/18/416072018.db2.gz DLTJRWPWOMVGSS-LLVKDONJSA-N 0 0 318.385 0.331 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H]3CCCCNC3=O)sc2n1 ZINC000301057220 416074612 /nfs/dbraw/zinc/07/46/12/416074612.db2.gz AHBXNEUXOYJOKS-SECBINFHSA-N 0 0 307.379 0.794 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@H](O)C1CCCC1 ZINC000301302355 416080510 /nfs/dbraw/zinc/08/05/10/416080510.db2.gz VXLBCLMCQLWSCO-LBPRGKRZSA-N 0 0 319.365 0.962 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000158815459 416003706 /nfs/dbraw/zinc/00/37/06/416003706.db2.gz NJEQELZERFCTKV-BDAKNGLRSA-N 0 0 314.363 0.427 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000344965979 416016425 /nfs/dbraw/zinc/01/64/25/416016425.db2.gz IFNFWUOBSAFKGE-KBPBESRZSA-N 0 0 314.345 0.587 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1cccnc1)c1cccs1 ZINC000165742163 416021769 /nfs/dbraw/zinc/02/17/69/416021769.db2.gz IEUWVXGKBWHHQS-OAHLLOKOSA-N 0 0 319.386 0.897 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000170690491 416029302 /nfs/dbraw/zinc/02/93/02/416029302.db2.gz OUTHFYLXEMLEJZ-LLVKDONJSA-N 0 0 324.406 0.833 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000174701780 416082862 /nfs/dbraw/zinc/08/28/62/416082862.db2.gz WZCMIMAVZJGFGH-GFCCVEGCSA-N 0 0 322.413 0.213 10 0 DCAERN COC(=O)CN1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000301557505 416086909 /nfs/dbraw/zinc/08/69/09/416086909.db2.gz WYUZZXPOSHZUJM-UHFFFAOYSA-N 0 0 316.365 0.297 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000174790292 416087535 /nfs/dbraw/zinc/08/75/35/416087535.db2.gz JEXVZDBAHCDGSZ-LSDHHAIUSA-N 0 0 322.453 0.284 10 0 DCAERN COC(=O)c1cn(C2CN(C(=O)c3cccc(O)c3)C2)nn1 ZINC000357502537 416088981 /nfs/dbraw/zinc/08/89/81/416088981.db2.gz RSJOYMMSBGJBJN-UHFFFAOYSA-N 0 0 302.290 0.467 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc3ccccn3c2)C1 ZINC000174936509 416089856 /nfs/dbraw/zinc/08/98/56/416089856.db2.gz ZKIXTDUIKXJHMO-GFCCVEGCSA-N 0 0 307.375 0.703 10 0 DCAERN CCc1nsc(N2CCCN([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000174899478 416090508 /nfs/dbraw/zinc/09/05/08/416090508.db2.gz BUSFLHVDRVWSLB-SNVBAGLBSA-N 0 0 323.422 0.370 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3ncoc3C)C2=O)n(C)n1 ZINC000174977150 416091877 /nfs/dbraw/zinc/09/18/77/416091877.db2.gz TXNAIEFQQAXJHQ-NSHDSACASA-N 0 0 317.349 0.950 10 0 DCAERN Cc1cc(C)n(-c2ccc(NC[C@H]3CN4CCN3CC4)nn2)n1 ZINC000301805565 416093202 /nfs/dbraw/zinc/09/32/02/416093202.db2.gz YFUQLWVOKCQIDP-AWEZNQCLSA-N 0 0 313.409 0.691 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCOC3)C2=O)n(C)n1 ZINC000174998312 416094038 /nfs/dbraw/zinc/09/40/38/416094038.db2.gz CQLSXBAZDRYCKA-NWDGAFQWSA-N 0 0 306.366 0.377 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000178017216 416155658 /nfs/dbraw/zinc/15/56/58/416155658.db2.gz HASUNUGMTMMAIA-CYBMUJFWSA-N 0 0 321.425 0.890 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3C[C@H](C)O[C@H](CO)C3)n2)n1 ZINC000302744668 416098770 /nfs/dbraw/zinc/09/87/70/416098770.db2.gz DVQYTWIFBMMWBD-STQMWFEESA-N 0 0 303.366 0.865 10 0 DCAERN O=C1N[C@H](Cc2c[nH]cn2)C(=O)N1Cc1ccc2cc[nH]c2n1 ZINC000357605131 416104375 /nfs/dbraw/zinc/10/43/75/416104375.db2.gz VEJZEEVSLLSNTO-GFCCVEGCSA-N 0 0 310.317 0.949 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncccc2Cl)CCN1S(C)(=O)=O ZINC000345518844 416108518 /nfs/dbraw/zinc/10/85/18/416108518.db2.gz CGJSQONKXOXGKM-SECBINFHSA-N 0 0 317.798 0.841 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313659361 416109243 /nfs/dbraw/zinc/10/92/43/416109243.db2.gz FJXKBTHPKCNIMO-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(CC(N)=O)CC(C)C ZINC000175598330 416110864 /nfs/dbraw/zinc/11/08/64/416110864.db2.gz DNLKHKRLWCGTIH-UHFFFAOYSA-N 0 0 305.378 0.695 10 0 DCAERN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@](O)(CO)C1 ZINC000313803665 416111079 /nfs/dbraw/zinc/11/10/79/416111079.db2.gz NKMSBLFVBXVDKZ-GFCCVEGCSA-N 0 0 323.773 0.987 10 0 DCAERN CC[C@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)OC ZINC000175754130 416111724 /nfs/dbraw/zinc/11/17/24/416111724.db2.gz JAMYRQNKIYWYQR-ZDUSSCGKSA-N 0 0 322.409 0.700 10 0 DCAERN COCC[N@H+](C)CCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000175749718 416112352 /nfs/dbraw/zinc/11/23/52/416112352.db2.gz SGASFFRERCJLEL-LBPRGKRZSA-N 0 0 310.402 0.299 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCc2cccn2C)CCO1 ZINC000176033956 416117800 /nfs/dbraw/zinc/11/78/00/416117800.db2.gz SBJJOABEQHEZCC-JSGCOSHPSA-N 0 0 323.393 0.930 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176001722 416118960 /nfs/dbraw/zinc/11/89/60/416118960.db2.gz SYAPWODXCDXHHA-LLVKDONJSA-N 0 0 311.304 0.564 10 0 DCAERN Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)ncn1 ZINC000328611640 416123476 /nfs/dbraw/zinc/12/34/76/416123476.db2.gz MDUIKXJHEBBWBP-XHDPSFHLSA-N 0 0 300.366 1.150 10 0 DCAERN CCN1CCN(C(=O)Nc2ccon2)C[C@H]1c1nccn1C ZINC000328624357 416123702 /nfs/dbraw/zinc/12/37/02/416123702.db2.gz JTVYXDHGYCNXEN-NSHDSACASA-N 0 0 304.354 1.319 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C1 ZINC000176426096 416126323 /nfs/dbraw/zinc/12/63/23/416126323.db2.gz WKGZYCXZSLWPAP-UHFFFAOYSA-N 0 0 323.780 0.664 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000176424476 416126455 /nfs/dbraw/zinc/12/64/55/416126455.db2.gz ONFLNWKXRLBDDU-OAHLLOKOSA-N 0 0 317.389 0.848 10 0 DCAERN COCCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000345640372 416127923 /nfs/dbraw/zinc/12/79/23/416127923.db2.gz ZVOPBWROYVDTJH-GJZGRUSLSA-N 0 0 307.394 0.776 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1CCC(C)CC1 ZINC000176570309 416129601 /nfs/dbraw/zinc/12/96/01/416129601.db2.gz MRLJKGPJUFOYGT-OAQYLSRUSA-N 0 0 313.427 0.761 10 0 DCAERN CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000176649522 416130847 /nfs/dbraw/zinc/13/08/47/416130847.db2.gz ZIVSORUIHRVFHI-ZDUSSCGKSA-N 0 0 318.377 0.725 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000176793176 416134515 /nfs/dbraw/zinc/13/45/15/416134515.db2.gz VECGQGYAVFABSX-NEPJUHHUSA-N 0 0 312.366 0.548 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCS2)c1 ZINC000176805278 416134574 /nfs/dbraw/zinc/13/45/74/416134574.db2.gz VPLFGPYALYZXAE-JTQLQIEISA-N 0 0 300.405 0.959 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC000328871411 416135256 /nfs/dbraw/zinc/13/52/56/416135256.db2.gz IJGWUARMUKIVII-CHWSQXEVSA-N 0 0 306.366 0.211 10 0 DCAERN COCCCOC1CN(C(=O)[C@@H](C(C)C)N2CCCC2=O)C1 ZINC000176917638 416137746 /nfs/dbraw/zinc/13/77/46/416137746.db2.gz PBHQPQOXVMDBQN-OAHLLOKOSA-N 0 0 312.410 0.897 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC000345716502 416138110 /nfs/dbraw/zinc/13/81/10/416138110.db2.gz SSTJHDOIRVEYTI-CYBMUJFWSA-N 0 0 311.407 0.687 10 0 DCAERN CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000176996001 416138242 /nfs/dbraw/zinc/13/82/42/416138242.db2.gz WSRRWTULHJAHDE-KGLIPLIRSA-N 0 0 320.455 0.394 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CC(OCCCOC)C2)C1 ZINC000176917311 416138804 /nfs/dbraw/zinc/13/88/04/416138804.db2.gz SJUJHMKREPWDIF-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN CCc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905139 416139547 /nfs/dbraw/zinc/13/95/47/416139547.db2.gz JWDKSDLEOOKJLN-KGLIPLIRSA-N 0 0 305.378 0.895 10 0 DCAERN C[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@@H]1N1CCOCC1 ZINC000177233605 416142354 /nfs/dbraw/zinc/14/23/54/416142354.db2.gz LARVBZPQZOAYLH-OCCSQVGLSA-N 0 0 305.426 0.845 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CCc3nnc[nH]3)CCO2)[nH]1 ZINC000177236615 416142401 /nfs/dbraw/zinc/14/24/01/416142401.db2.gz RNSJQLLRZUIEND-SECBINFHSA-N 0 0 305.342 0.018 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCOCC1 ZINC000177300079 416144926 /nfs/dbraw/zinc/14/49/26/416144926.db2.gz ULHRXTRIZWKOMM-LBPRGKRZSA-N 0 0 308.386 0.053 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC(C)(C)CCCO ZINC000357880520 416146075 /nfs/dbraw/zinc/14/60/75/416146075.db2.gz POUKMICFTSBEPB-NWDGAFQWSA-N 0 0 300.399 0.131 10 0 DCAERN COC[C@H](C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177526014 416148133 /nfs/dbraw/zinc/14/81/33/416148133.db2.gz MSLDSNUOVVGPDM-JTQLQIEISA-N 0 0 304.412 0.342 10 0 DCAERN Cc1c([C@H]2[C@H](Nc3nnc(C4CC4)o3)CC(=O)N2C)cnn1C ZINC000329183324 416154438 /nfs/dbraw/zinc/15/44/38/416154438.db2.gz FOUNFBYWFZITAG-YPMHNXCESA-N 0 0 316.365 1.373 10 0 DCAERN O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CC[C@@H](O)C1 ZINC000174582746 416081512 /nfs/dbraw/zinc/08/15/12/416081512.db2.gz QVIAEPVRUXCWNY-LSDHHAIUSA-N 0 0 302.374 0.671 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCCCOC2CCCC2)n1 ZINC000357995522 416168603 /nfs/dbraw/zinc/16/86/03/416168603.db2.gz PBAAXCDZUPLMTR-UHFFFAOYSA-N 0 0 308.382 0.502 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1nc2nc(C)cc(C)n2n1)C(C)C ZINC000178720819 416170265 /nfs/dbraw/zinc/17/02/65/416170265.db2.gz DKXVZKGKLWQTSU-JTQLQIEISA-N 0 0 304.354 0.242 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000358008890 416171200 /nfs/dbraw/zinc/17/12/00/416171200.db2.gz CCPAAVWOLZQGHX-UHFFFAOYSA-N 0 0 319.361 0.545 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000178799669 416171883 /nfs/dbraw/zinc/17/18/83/416171883.db2.gz DFHXJGQNJYQFOP-NWDGAFQWSA-N 0 0 305.444 0.859 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(C)C ZINC000178854533 416174636 /nfs/dbraw/zinc/17/46/36/416174636.db2.gz MBFVQUDSVDIZEG-AWEZNQCLSA-N 0 0 319.409 0.580 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccc(Cl)cc1 ZINC000178960675 416178856 /nfs/dbraw/zinc/17/88/56/416178856.db2.gz ZKWHTNCKOFYOMF-CYBMUJFWSA-N 0 0 322.796 0.395 10 0 DCAERN O=C(NCCCc1ccccn1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000179075330 416180337 /nfs/dbraw/zinc/18/03/37/416180337.db2.gz UHQQMRZTJIFYEV-GFCCVEGCSA-N 0 0 313.361 0.907 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000179155279 416182508 /nfs/dbraw/zinc/18/25/08/416182508.db2.gz LKHAREUSZCTGKY-UONOGXRCSA-N 0 0 314.345 0.442 10 0 DCAERN COC[C@@H](C)N(C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000179315041 416185557 /nfs/dbraw/zinc/18/55/57/416185557.db2.gz COZTVCRNBURDDL-SECBINFHSA-N 0 0 304.368 0.637 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179348591 416186762 /nfs/dbraw/zinc/18/67/62/416186762.db2.gz CJPRQIWLXCUXCC-JTQLQIEISA-N 0 0 300.384 0.683 10 0 DCAERN CN1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000179481227 416188658 /nfs/dbraw/zinc/18/86/58/416188658.db2.gz JJABCYZWIRDDMU-HOCLYGCPSA-N 0 0 316.405 0.915 10 0 DCAERN C[C@@H](CNC(=O)Nc1nc2ccccn2n1)N1CCOCC1 ZINC000183048776 416233802 /nfs/dbraw/zinc/23/38/02/416233802.db2.gz ISWFRPUVXJJXFL-NSHDSACASA-N 0 0 304.354 0.572 10 0 DCAERN Cc1ncc(C(=O)NCc2cccnc2-n2cncn2)c(C)n1 ZINC000179910177 416193519 /nfs/dbraw/zinc/19/35/19/416193519.db2.gz APZKMFZCJFAADU-UHFFFAOYSA-N 0 0 309.333 0.999 10 0 DCAERN COc1c(CN2CCCN(S(C)(=O)=O)CC2)c(C)nn1C ZINC000179904148 416194254 /nfs/dbraw/zinc/19/42/54/416194254.db2.gz YJZRLGRWLAJSCU-UHFFFAOYSA-N 0 0 316.427 0.204 10 0 DCAERN Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)c1 ZINC000180482268 416198341 /nfs/dbraw/zinc/19/83/41/416198341.db2.gz RTHMMEDFONLPAQ-HNNXBMFYSA-N 0 0 305.426 0.602 10 0 DCAERN Cn1cnc2cc(C(=O)NCC(=O)N3CCCCC3)cnc21 ZINC000181033654 416202442 /nfs/dbraw/zinc/20/24/42/416202442.db2.gz PYGYEOSUQOBJAB-UHFFFAOYSA-N 0 0 301.350 0.711 10 0 DCAERN O=C(NCCCOCCOCc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000181370319 416205490 /nfs/dbraw/zinc/20/54/90/416205490.db2.gz PXBHXKWYQBJIKO-HNNXBMFYSA-N 0 0 320.389 0.862 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCNC[C@H]2c2cnn(C)c2)n1 ZINC000181376550 416205787 /nfs/dbraw/zinc/20/57/87/416205787.db2.gz HMCGANRPQHJWFJ-AWEZNQCLSA-N 0 0 302.382 0.407 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181446090 416207953 /nfs/dbraw/zinc/20/79/53/416207953.db2.gz NSAPJTXTGATMST-CYBMUJFWSA-N 0 0 323.397 0.419 10 0 DCAERN O=C(NCCc1cn[nH]c1)NCc1ccc2c(c1)C(=O)NCC2 ZINC000358186695 416208151 /nfs/dbraw/zinc/20/81/51/416208151.db2.gz OXIAIOGIHODOGI-UHFFFAOYSA-N 0 0 313.361 0.738 10 0 DCAERN Cc1ccc(OC2CCN(Cc3nc(N)nc(N)n3)CC2)nc1 ZINC000181550666 416210291 /nfs/dbraw/zinc/21/02/91/416210291.db2.gz IOKWPLLDUSXQJG-UHFFFAOYSA-N 0 0 315.381 0.783 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)CCCF)CC2 ZINC000181723877 416211341 /nfs/dbraw/zinc/21/13/41/416211341.db2.gz SKIQTJCNXAZHPT-SNVBAGLBSA-N 0 0 304.391 0.995 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000181841976 416212165 /nfs/dbraw/zinc/21/21/65/416212165.db2.gz OBMQMZWISQDBES-MELADBBJSA-N 0 0 321.425 0.801 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000181869516 416212419 /nfs/dbraw/zinc/21/24/19/416212419.db2.gz LGNPRGHIPPDBFG-AWEZNQCLSA-N 0 0 323.441 0.635 10 0 DCAERN COCc1noc(CN2CCN([C@@H]3CCCCNC3=O)CC2)n1 ZINC000182448301 416222650 /nfs/dbraw/zinc/22/26/50/416222650.db2.gz MURCUXZZESTFPS-GFCCVEGCSA-N 0 0 323.397 0.002 10 0 DCAERN O=C(CCn1cnc2ccccc2c1=O)NC[C@H](CO)C1CC1 ZINC000358357323 416227970 /nfs/dbraw/zinc/22/79/70/416227970.db2.gz RPTPTTZGFKILAQ-CYBMUJFWSA-N 0 0 315.373 0.921 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC2(CO)CCCC2)cc1 ZINC000182700328 416229050 /nfs/dbraw/zinc/22/90/50/416229050.db2.gz BFZROHOPPPIDCQ-UHFFFAOYSA-N 0 0 306.362 0.846 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000182732543 416229926 /nfs/dbraw/zinc/22/99/26/416229926.db2.gz GUAFUXKGHFWVDV-RKDXNWHRSA-N 0 0 319.287 0.242 10 0 DCAERN C[C@@H](CNc1ncnc2c3ccccc3oc21)S(N)(=O)=O ZINC000348104468 416231801 /nfs/dbraw/zinc/23/18/01/416231801.db2.gz JGUCRJORNOWXDR-QMMMGPOBSA-N 0 0 306.347 1.465 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)Cc1ccccc1 ZINC000182834186 416232713 /nfs/dbraw/zinc/23/27/13/416232713.db2.gz LKUMSPVMCAGSOV-MRXNPFEDSA-N 0 0 308.378 0.249 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCCNC(=O)c2ccccc2)C1 ZINC000178141306 416157917 /nfs/dbraw/zinc/15/79/17/416157917.db2.gz ACDJIDGZFZJFQA-UHFFFAOYSA-N 0 0 317.389 0.791 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000178452295 416164051 /nfs/dbraw/zinc/16/40/51/416164051.db2.gz DTADHRKKCYJPRD-PWSUYJOCSA-N 0 0 322.413 0.745 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1 ZINC000183544224 416245321 /nfs/dbraw/zinc/24/53/21/416245321.db2.gz QCJWAZMDAXJNJC-QWRGUYRKSA-N 0 0 310.350 0.905 10 0 DCAERN COC(=O)c1coc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1 ZINC000183745755 416251032 /nfs/dbraw/zinc/25/10/32/416251032.db2.gz DZZKFJSHDYHKFF-GFCCVEGCSA-N 0 0 322.361 0.861 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185779698 416254568 /nfs/dbraw/zinc/25/45/68/416254568.db2.gz KILZEFNREYVHND-UHFFFAOYSA-N 0 0 319.336 0.309 10 0 DCAERN Cc1c(-c2nc(N(C)C)no2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000358574126 416256295 /nfs/dbraw/zinc/25/62/95/416256295.db2.gz GOCORSVVXPCKST-UHFFFAOYSA-N 0 0 316.321 0.057 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)Cc1cc[nH]n1 ZINC000331086271 416263404 /nfs/dbraw/zinc/26/34/04/416263404.db2.gz CYUOMHCOTCBZQG-GHMZBOCLSA-N 0 0 301.368 0.513 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2cnccc2C)CC1 ZINC000331102686 416265263 /nfs/dbraw/zinc/26/52/63/416265263.db2.gz CXZPUDKLQNYMHW-AWEZNQCLSA-N 0 0 318.421 0.901 10 0 DCAERN CC(C)CNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189952826 416273952 /nfs/dbraw/zinc/27/39/52/416273952.db2.gz MOGCDKDRCFJYGE-GFCCVEGCSA-N 0 0 314.411 0.557 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)O2)ccc1=O ZINC000190112696 416275549 /nfs/dbraw/zinc/27/55/49/416275549.db2.gz AIICVRYGRYEUSW-GFCCVEGCSA-N 0 0 321.377 0.881 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192210339 416302340 /nfs/dbraw/zinc/30/23/40/416302340.db2.gz QMKWVBQSLNOTPY-CYBMUJFWSA-N 0 0 307.325 0.179 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cncc(F)c1 ZINC000359069433 416305871 /nfs/dbraw/zinc/30/58/71/416305871.db2.gz WXLRJVRCIABRFW-GZMMTYOYSA-N 0 0 301.343 0.768 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000193925135 416320537 /nfs/dbraw/zinc/32/05/37/416320537.db2.gz SRHYVHSEZPJYMS-NWDGAFQWSA-N 0 0 318.377 0.749 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)C1 ZINC000191835523 416290795 /nfs/dbraw/zinc/29/07/95/416290795.db2.gz VFFWHFKEJJEJLN-LBPRGKRZSA-N 0 0 317.393 0.797 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000192077583 416298654 /nfs/dbraw/zinc/29/86/54/416298654.db2.gz LOCJKLQGCDXQAO-ZYHUDNBSSA-N 0 0 306.366 0.776 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H](C)CCS(C)(=O)=O)CC[C@@H]1C ZINC000249575952 416334390 /nfs/dbraw/zinc/33/43/90/416334390.db2.gz AEXRPRTWBVXDRA-QJPTWQEYSA-N 0 0 306.428 0.876 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000262280059 416336461 /nfs/dbraw/zinc/33/64/61/416336461.db2.gz NSXRZWWWFNHNMN-MCIONIFRSA-N 0 0 309.410 0.224 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)CCN1CCOC ZINC000263118264 416337502 /nfs/dbraw/zinc/33/75/02/416337502.db2.gz ATGVAYPYDZNUML-NWDGAFQWSA-N 0 0 305.369 0.553 10 0 DCAERN Cc1cc(NC(=O)CSCC(=O)N(C)[C@@H]2CCOC2)no1 ZINC000264387300 416339348 /nfs/dbraw/zinc/33/93/48/416339348.db2.gz FDRMXSINQNUTSA-SNVBAGLBSA-N 0 0 313.379 0.902 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)N[C@H]1CC[S@@](=O)C1)c2O ZINC000359445381 416345972 /nfs/dbraw/zinc/34/59/72/416345972.db2.gz XAFXNKZUAILGPP-GTUYJWLHSA-N 0 0 320.370 0.788 10 0 DCAERN COc1cc(C)ccc1CNC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000359679738 416353385 /nfs/dbraw/zinc/35/33/85/416353385.db2.gz HMETUDMCKRIYPS-OCCSQVGLSA-N 0 0 320.389 0.849 10 0 DCAERN CC(C)n1nnnc1CSc1nnnn1C[C@H]1CCCO1 ZINC000195517247 416326578 /nfs/dbraw/zinc/32/65/78/416326578.db2.gz QCHRXZPSQSUWLC-SECBINFHSA-N 0 0 310.387 0.712 10 0 DCAERN Cc1noc(COc2ccc(NC(=O)[C@H]3COCCN3)cc2)n1 ZINC000237691508 416328615 /nfs/dbraw/zinc/32/86/15/416328615.db2.gz SEPSVLHFKFOWHR-CYBMUJFWSA-N 0 0 318.333 0.884 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc2ncnn21 ZINC000359813708 416360420 /nfs/dbraw/zinc/36/04/20/416360420.db2.gz SJLKGCKAWCGSKP-JTQLQIEISA-N 0 0 310.379 0.625 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359818866 416360627 /nfs/dbraw/zinc/36/06/27/416360627.db2.gz HCAYAEIZJGBDDU-GFCCVEGCSA-N 0 0 312.391 0.806 10 0 DCAERN C[C@@H](NC(=O)NCC[C@@H]1COc2ccccc2O1)C(=O)N(C)C ZINC000360382593 416387791 /nfs/dbraw/zinc/38/77/91/416387791.db2.gz CSQHAWIFNLJNHL-VXGBXAGGSA-N 0 0 321.377 0.992 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N2CCNC(=O)[C@H]2C)no1 ZINC000360437019 416390267 /nfs/dbraw/zinc/39/02/67/416390267.db2.gz KWWXMBSHTCTNJD-DTWKUNHWSA-N 0 0 311.342 0.197 10 0 DCAERN COc1ccc(NC(=O)[C@@H](C)N2CC(=O)N(C)C2)c(OC)c1 ZINC000360490419 416392545 /nfs/dbraw/zinc/39/25/45/416392545.db2.gz KGFVMTPGPNPJAY-SNVBAGLBSA-N 0 0 307.350 0.762 10 0 DCAERN CC(C)OCc1cccc(CNC(=O)CN2CC(=O)N(C)C2)c1 ZINC000360502203 416393901 /nfs/dbraw/zinc/39/39/01/416393901.db2.gz CDBDHXCQZRXHLG-UHFFFAOYSA-N 0 0 319.405 0.959 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)NCc1ccccc1OCCO ZINC000434400484 416474982 /nfs/dbraw/zinc/47/49/82/416474982.db2.gz VMJZNUKTALYAKC-LRDDRELGSA-N 0 0 324.377 0.397 10 0 DCAERN CC(C)Cn1ncnc1CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617860 416477730 /nfs/dbraw/zinc/47/77/30/416477730.db2.gz AJLDFHRDQMNUHB-CQSZACIVSA-N 0 0 305.386 0.536 10 0 DCAERN CN(C(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1)C1CCCCC1 ZINC000583617945 416477927 /nfs/dbraw/zinc/47/79/27/416477927.db2.gz MLHVOMXTIBUMPF-INIZCTEOSA-N 0 0 321.425 0.879 10 0 DCAERN CN(Cc1ccco1)C(=O)CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617988 416478494 /nfs/dbraw/zinc/47/84/94/416478494.db2.gz QSFZKBBHNXZQCD-HNNXBMFYSA-N 0 0 319.365 0.340 10 0 DCAERN CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361120740 416422259 /nfs/dbraw/zinc/42/22/59/416422259.db2.gz SIJQCIWYVLDTOC-UONOGXRCSA-N 0 0 314.426 0.927 10 0 DCAERN O=C(CCNC(=O)NCCOCC1CCC1)N1CCOCC1 ZINC000582275152 416450643 /nfs/dbraw/zinc/45/06/43/416450643.db2.gz SIYQNMOWJDEOGG-UHFFFAOYSA-N 0 0 313.398 0.351 10 0 DCAERN Cn1c2ccc(C(=O)N3CC[C@@H](NC(N)=O)C3)cc2[nH]c1=O ZINC000535713659 416526614 /nfs/dbraw/zinc/52/66/14/416526614.db2.gz KEAPPGDLTWZXKE-SECBINFHSA-N 0 0 303.322 0.162 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)C1=O ZINC000459371842 416535473 /nfs/dbraw/zinc/53/54/73/416535473.db2.gz ITEDHEJRKLAQAG-LPEHRKFASA-N 0 0 323.315 0.704 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361986345 416539454 /nfs/dbraw/zinc/53/94/54/416539454.db2.gz QBWCRCYDAFASKU-CQSZACIVSA-N 0 0 321.377 0.612 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361989204 416539622 /nfs/dbraw/zinc/53/96/22/416539622.db2.gz XDBSDFRYCGLPPS-INIZCTEOSA-N 0 0 322.405 0.919 10 0 DCAERN COc1ccccc1OCCNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000536517773 416541311 /nfs/dbraw/zinc/54/13/11/416541311.db2.gz XVLZUJYUXXPRKN-NSHDSACASA-N 0 0 322.365 0.526 10 0 DCAERN Cc1cc(C(=O)N2CCNC(=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000536527755 416541823 /nfs/dbraw/zinc/54/18/23/416541823.db2.gz RCOFTKAIPUOUED-UHFFFAOYSA-N 0 0 314.349 0.160 10 0 DCAERN CC[NH+]1CCC(NC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000436283877 416552596 /nfs/dbraw/zinc/55/25/96/416552596.db2.gz LXEXVHDRBDVYBE-INIZCTEOSA-N 0 0 307.394 0.200 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000534264476 416494884 /nfs/dbraw/zinc/49/48/84/416494884.db2.gz OTSSZTVZICLUAZ-VXGBXAGGSA-N 0 0 322.409 0.437 10 0 DCAERN O=C(NCCNc1cc[nH+]cc1)NCCOC[C@H]1CCCO1 ZINC000534525626 416503099 /nfs/dbraw/zinc/50/30/99/416503099.db2.gz JFSKYFQBDXHJGO-CQSZACIVSA-N 0 0 308.382 0.410 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CC(=O)N(C)C3)sc2C1 ZINC000435115267 416509549 /nfs/dbraw/zinc/50/95/49/416509549.db2.gz YJLIIZRULYYKLE-QMMMGPOBSA-N 0 0 322.390 0.465 10 0 DCAERN NC(=O)N[C@H]1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966054 416512039 /nfs/dbraw/zinc/51/20/39/416512039.db2.gz ZZVUQOLIWKTRAF-NUAPRZDKSA-N 0 0 320.437 0.670 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000584389627 416513984 /nfs/dbraw/zinc/51/39/84/416513984.db2.gz FYJMPNKIDLEWOX-UHFFFAOYSA-N 0 0 316.361 0.711 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NC[C@H]2CCCO2)CC1 ZINC000458959521 416514674 /nfs/dbraw/zinc/51/46/74/416514674.db2.gz RACDBRUFDSRCTR-GFCCVEGCSA-N 0 0 313.398 0.444 10 0 DCAERN C[C@H](Oc1ccccc1F)C(=O)NCCn1cnccc1=O ZINC000585237998 416519627 /nfs/dbraw/zinc/51/96/27/416519627.db2.gz CQMHNLAKXAVQON-NSHDSACASA-N 0 0 305.309 0.966 10 0 DCAERN CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000438709393 416602414 /nfs/dbraw/zinc/60/24/14/416602414.db2.gz AEMZGBPARYOOFC-NSHDSACASA-N 0 0 323.397 0.999 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(COC)n1 ZINC000362662380 416568947 /nfs/dbraw/zinc/56/89/47/416568947.db2.gz IFBRXRCJORPMDF-WDEREUQCSA-N 0 0 324.381 0.800 10 0 DCAERN CNc1ncc(C(=O)N[C@H]2CN(c3ccccc3)C2=O)s1 ZINC000363674562 416577833 /nfs/dbraw/zinc/57/78/33/416577833.db2.gz RUQKSPUAFAURBG-JTQLQIEISA-N 0 0 302.359 1.330 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCSC[C@H]1CCO ZINC000539312142 416578249 /nfs/dbraw/zinc/57/82/49/416578249.db2.gz FJHSRBPUXPDLAG-NWDGAFQWSA-N 0 0 310.423 0.776 10 0 DCAERN CC[C@H](O)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000441942154 416682360 /nfs/dbraw/zinc/68/23/60/416682360.db2.gz BEUYPRCWKZATEX-LBPRGKRZSA-N 0 0 308.382 0.753 10 0 DCAERN CN(CCCO)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000441898149 416683342 /nfs/dbraw/zinc/68/33/42/416683342.db2.gz UCURPKYHSVOWEO-UHFFFAOYSA-N 0 0 314.407 0.755 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1C[C@H](F)C[C@@H]1CO ZINC000366668372 416635788 /nfs/dbraw/zinc/63/57/88/416635788.db2.gz WRCPBWRKOLVKHH-QXFUBDJGSA-N 0 0 315.374 0.420 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)CCn2cncn2)(C(=O)OC)C1(C)C ZINC000440846860 416650899 /nfs/dbraw/zinc/65/08/99/416650899.db2.gz UTZAYLXUINMLTJ-ABAIWWIYSA-N 0 0 324.381 0.531 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cscn2)C1 ZINC000514670356 416670365 /nfs/dbraw/zinc/67/03/65/416670365.db2.gz OKVWRKQSULTHTO-JTQLQIEISA-N 0 0 303.409 0.680 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@]2(O)CCSC2)n1 ZINC000441439488 416671764 /nfs/dbraw/zinc/67/17/64/416671764.db2.gz LYAGUYYEVDREAL-AWEZNQCLSA-N 0 0 311.407 0.800 10 0 DCAERN COC[C@H]1CN(C(=O)NCCc2cccc(OC)n2)CCO1 ZINC000441458537 416672027 /nfs/dbraw/zinc/67/20/27/416672027.db2.gz ORFWRZRNUFHDMR-CYBMUJFWSA-N 0 0 309.366 0.690 10 0 DCAERN COCCOC[C@H](C)NC(=O)NCCc1cccc(OC)n1 ZINC000441451759 416672494 /nfs/dbraw/zinc/67/24/94/416672494.db2.gz SGSFCUHQEABHHR-LBPRGKRZSA-N 0 0 311.382 0.983 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC23CCC3)n1 ZINC000441526173 416674599 /nfs/dbraw/zinc/67/45/99/416674599.db2.gz SRESPGOOBYYVHT-NSHDSACASA-N 0 0 306.366 1.184 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)CCCN2C(=O)CNC2=O)no1 ZINC000443366909 416753275 /nfs/dbraw/zinc/75/32/75/416753275.db2.gz GKWPWVYBQQORSZ-UHFFFAOYSA-N 0 0 323.353 0.315 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442578865 416698199 /nfs/dbraw/zinc/69/81/99/416698199.db2.gz VKGXAOOHSVWDCD-IJLUTSLNSA-N 0 0 310.398 0.354 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@H](COC)OC)no1 ZINC000442646857 416702546 /nfs/dbraw/zinc/70/25/46/416702546.db2.gz IGVHAXPYZOPSOL-SECBINFHSA-N 0 0 300.359 0.828 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cc3ccccn3n2)[C@H](C)C1 ZINC000554412362 416706060 /nfs/dbraw/zinc/70/60/60/416706060.db2.gz UNXAXOSSRMNSBN-LLVKDONJSA-N 0 0 301.350 1.419 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N(C)CCCO)[C@@H](C(=O)N(C)CCCO)C1 ZINC000442990806 416725290 /nfs/dbraw/zinc/72/52/90/416725290.db2.gz KOGPHKRHXVYVPS-ZSOGYDGISA-N 0 0 314.426 0.330 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2ccc3c(N)ncnc3c2)C1 ZINC000614931595 416729498 /nfs/dbraw/zinc/72/94/98/416729498.db2.gz YGRKMGRXMLSIHY-NSHDSACASA-N 0 0 313.361 0.810 10 0 DCAERN COc1ccc(NC(=O)Nc2n[nH]cc2C)cc1-n1cnnn1 ZINC000558362521 416764055 /nfs/dbraw/zinc/76/40/55/416764055.db2.gz NSXOGZHSGOCAMY-UHFFFAOYSA-N 0 0 314.309 1.346 10 0 DCAERN COc1cccc(CCNC(=O)N(C[C@H](C)O)[C@@H](C)CO)n1 ZINC000443619397 416772395 /nfs/dbraw/zinc/77/23/95/416772395.db2.gz HBTVPUVOLPZCGU-RYUDHWBXSA-N 0 0 311.382 0.406 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)COc1cnn(C)c1)CC2 ZINC000558626751 416780214 /nfs/dbraw/zinc/78/02/14/416780214.db2.gz JCYYQUNMCOLBMF-KBPBESRZSA-N 0 0 323.393 0.577 10 0 DCAERN CCCNC(=O)NC(=O)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369542491 416792572 /nfs/dbraw/zinc/79/25/72/416792572.db2.gz UMXKLVJTCYULAQ-HNNXBMFYSA-N 0 0 313.398 0.492 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@]2(CCCCO2)C1 ZINC000369695211 416817520 /nfs/dbraw/zinc/81/75/20/416817520.db2.gz PYPVWGRBWDXODC-OAHLLOKOSA-N 0 0 304.350 0.751 10 0 DCAERN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C2=COCCC2)C1=O ZINC000370039788 416871946 /nfs/dbraw/zinc/87/19/46/416871946.db2.gz ZYHUHRCRFSXVNX-IAQYHMDHSA-N 0 0 307.350 0.517 10 0 DCAERN Cn1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2=O)n1 ZINC000370048990 416877681 /nfs/dbraw/zinc/87/76/81/416877681.db2.gz FMLAPTWMRAAZNR-NSHDSACASA-N 0 0 314.349 0.556 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000370121634 416886404 /nfs/dbraw/zinc/88/64/04/416886404.db2.gz LMGCUOXMRQLHLF-BBRMVZONSA-N 0 0 309.410 0.226 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000560360522 416845504 /nfs/dbraw/zinc/84/55/04/416845504.db2.gz XBHCVGADHNYQCK-CHWSQXEVSA-N 0 0 306.362 0.663 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373685657 416961889 /nfs/dbraw/zinc/96/18/89/416961889.db2.gz UUPBBIUQIOWFMZ-TZMCWYRMSA-N 0 0 318.439 0.985 10 0 DCAERN Cc1cc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(C)o2)no1 ZINC000447088139 416962725 /nfs/dbraw/zinc/96/27/25/416962725.db2.gz FRTBCQOTHVANRR-UHFFFAOYSA-N 0 0 313.335 0.804 10 0 DCAERN CCN(CC(=O)OC)C(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000520432960 416962814 /nfs/dbraw/zinc/96/28/14/416962814.db2.gz WRXZTCBLZUSZAA-GFCCVEGCSA-N 0 0 307.350 0.808 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000445873866 416902694 /nfs/dbraw/zinc/90/26/94/416902694.db2.gz DDRSKZWWCOWEEI-OTDNITJGSA-N 0 0 309.347 0.725 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cccc(OCC(N)=O)c2)C1=O ZINC000445914140 416905559 /nfs/dbraw/zinc/90/55/59/416905559.db2.gz REDHDYYCXCCJMZ-QAVQXKDTSA-N 0 0 303.318 0.942 10 0 DCAERN COC[C@H](OC)C(=O)NCc1nn(C)cc1Br ZINC000615831761 416919157 /nfs/dbraw/zinc/91/91/57/416919157.db2.gz JWVQAUDVNOZURP-VIFPVBQESA-N 0 0 306.160 0.460 10 0 DCAERN Cn1cc([C@H](NC(=O)N(CCO)CCO)C(F)(F)F)cn1 ZINC000446458629 416930495 /nfs/dbraw/zinc/93/04/95/416930495.db2.gz PZNJKDMPPZGAKT-VIFPVBQESA-N 0 0 310.276 0.020 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000376159472 417021481 /nfs/dbraw/zinc/02/14/81/417021481.db2.gz VXTMIVOSQMCVJU-QNWHQSFQSA-N 0 0 309.362 0.782 10 0 DCAERN CCCCNc1cc(N2CCN3CCOC[C@H]3C2)nc(N)n1 ZINC000376431708 417029709 /nfs/dbraw/zinc/02/97/09/417029709.db2.gz AOBGVNUMIGRUJM-GFCCVEGCSA-N 0 0 306.414 0.792 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)c1 ZINC000447229953 416971933 /nfs/dbraw/zinc/97/19/33/416971933.db2.gz HVCLGWSVECUOQB-NSHDSACASA-N 0 0 323.324 0.510 10 0 DCAERN c1cn(-c2cc(N3CCN(c4ncns4)CC3)ncn2)cn1 ZINC000624319186 417006666 /nfs/dbraw/zinc/00/66/66/417006666.db2.gz FFBFOVRHPSKAEH-UHFFFAOYSA-N 0 0 314.378 0.840 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)c1nc(-c2ncc[nH]2)no1 ZINC000624521462 417056718 /nfs/dbraw/zinc/05/67/18/417056718.db2.gz KFJSFGJTAMBVRS-UHFFFAOYSA-N 0 0 320.353 0.726 10 0 DCAERN CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC1(C)C ZINC000632410462 417070620 /nfs/dbraw/zinc/07/06/20/417070620.db2.gz FJCGLCACEQLPMR-QWHCGFSZSA-N 0 0 320.455 0.394 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000448339619 417072612 /nfs/dbraw/zinc/07/26/12/417072612.db2.gz PQHLHFUBCWOAQM-NSHDSACASA-N 0 0 312.414 0.411 10 0 DCAERN NS(=O)(=O)N1CCC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616620061 417083110 /nfs/dbraw/zinc/08/31/10/417083110.db2.gz NHEOCHMMDOAKKK-LLVKDONJSA-N 0 0 304.393 0.128 10 0 DCAERN NS(=O)(=O)N1CCC[C@@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616626963 417084898 /nfs/dbraw/zinc/08/48/98/417084898.db2.gz BPOLGHBOQXGFNZ-GFCCVEGCSA-N 0 0 318.420 0.518 10 0 DCAERN CC(=O)Nc1ccccc1[C@@H]1COCCCN1S(N)(=O)=O ZINC000616599164 417084962 /nfs/dbraw/zinc/08/49/62/417084962.db2.gz RBNCMOPJGBMDOT-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN COc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)ncc1Br ZINC000624684428 417085485 /nfs/dbraw/zinc/08/54/85/417085485.db2.gz UDGIIPVDJMTICJ-KNVOCYPGSA-N 0 0 315.171 0.948 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1 ZINC000616624848 417085575 /nfs/dbraw/zinc/08/55/75/417085575.db2.gz ZGSVQFYKXYTZJY-GFCCVEGCSA-N 0 0 318.420 0.866 10 0 DCAERN CC(=O)Nc1ccc([C@H]2COCCN(S(N)(=O)=O)C2)cc1 ZINC000616662787 417091667 /nfs/dbraw/zinc/09/16/67/417091667.db2.gz FPLYBHNRPJOMDE-GFCCVEGCSA-N 0 0 313.379 0.264 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)NCC(C)(CO)CO ZINC000393893955 417103738 /nfs/dbraw/zinc/10/37/38/417103738.db2.gz KQNYEYXWVJFNHH-UHFFFAOYSA-N 0 0 307.799 0.918 10 0 DCAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnn2c1CCCC2 ZINC000616773155 417109516 /nfs/dbraw/zinc/10/95/16/417109516.db2.gz OACVHEBCRYSKSW-IACUBPJLSA-N 0 0 301.350 0.520 10 0 DCAERN COc1cccnc1CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616775386 417110690 /nfs/dbraw/zinc/11/06/90/417110690.db2.gz KMJHMTFQBLTZTF-XUJVJEKNSA-N 0 0 302.334 0.320 10 0 DCAERN O=C(c1nscc1Br)N1CCN(CCO)CC1 ZINC000404803935 417120110 /nfs/dbraw/zinc/12/01/10/417120110.db2.gz LUNUGXVGPLERRJ-UHFFFAOYSA-N 0 0 320.212 0.656 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)C1 ZINC000408030457 417131737 /nfs/dbraw/zinc/13/17/37/417131737.db2.gz KZCJRVFRUYGBSN-MMWGEVLESA-N 0 0 307.391 0.107 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000408112364 417139381 /nfs/dbraw/zinc/13/93/81/417139381.db2.gz KEEKIPFKHOHOQA-KXUCPTDWSA-N 0 0 307.316 0.606 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)N[C@@H](C)C1)CC2 ZINC000408202110 417145564 /nfs/dbraw/zinc/14/55/64/417145564.db2.gz HOLXAHZGQBZGEC-TUAOUCFPSA-N 0 0 308.378 0.703 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000408196820 417146948 /nfs/dbraw/zinc/14/69/48/417146948.db2.gz CKFUNXODFDXQDU-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cnn1C ZINC000408241246 417148150 /nfs/dbraw/zinc/14/81/50/417148150.db2.gz IMNNGWFYWLLQHH-NWDGAFQWSA-N 0 0 314.411 0.319 10 0 DCAERN c1ccc2c(c1)OC[C@H](CN1CCN(c3nccnn3)CC1)O2 ZINC000625637169 417150379 /nfs/dbraw/zinc/15/03/79/417150379.db2.gz IZKYDUYFNWFIFV-ZDUSSCGKSA-N 0 0 313.361 0.834 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000408333352 417157041 /nfs/dbraw/zinc/15/70/41/417157041.db2.gz CUPYZVKJGGCKOG-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397889 417159991 /nfs/dbraw/zinc/15/99/91/417159991.db2.gz ZREHBTUEIYLSLQ-GHMZBOCLSA-N 0 0 305.444 0.113 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cccc2ncnn21 ZINC000526122957 417186580 /nfs/dbraw/zinc/18/65/80/417186580.db2.gz YWYABKATODUHDB-HNNXBMFYSA-N 0 0 301.350 0.860 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632671475 417221063 /nfs/dbraw/zinc/22/10/63/417221063.db2.gz OZDNDIQIRUOEAG-HRDYMLBCSA-N 0 0 305.318 0.454 10 0 DCAERN COCCn1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000527385195 417242561 /nfs/dbraw/zinc/24/25/61/417242561.db2.gz NNXBFBGQVXTMKC-JTQLQIEISA-N 0 0 320.315 0.896 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000527499667 417244568 /nfs/dbraw/zinc/24/45/68/417244568.db2.gz RIDIYARPAWDCJP-JTQLQIEISA-N 0 0 306.322 0.739 10 0 DCAERN COc1ccc2c(O)c(C(=O)NC[C@@H](O)C(F)F)cnc2c1 ZINC000438508648 287372038 /nfs/dbraw/zinc/37/20/38/287372038.db2.gz MTMGSOOYAXUIEJ-LLVKDONJSA-N 0 0 312.272 0.893 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N(C)CC2CC2)CC12COC2 ZINC000451128175 417302073 /nfs/dbraw/zinc/30/20/73/417302073.db2.gz BCUIIDIZNVSLKV-ZDUSSCGKSA-N 0 0 310.394 0.366 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138579 417305295 /nfs/dbraw/zinc/30/52/95/417305295.db2.gz QNYBGPFWRVGPHE-NSHDSACASA-N 0 0 324.333 0.473 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)C[C@H](C)COCC)C1 ZINC000451308496 417330160 /nfs/dbraw/zinc/33/01/60/417330160.db2.gz CLMILYVGIRFKCN-VXGBXAGGSA-N 0 0 321.443 0.382 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCC(=O)N2CCN(C)CC2)C1 ZINC000643855792 417400395 /nfs/dbraw/zinc/40/03/95/417400395.db2.gz KOOKTDWWSIDBAQ-KGLIPLIRSA-N 0 0 321.425 0.336 10 0 DCAERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000643878499 417409069 /nfs/dbraw/zinc/40/90/69/417409069.db2.gz VWHICMZAGLVURG-ZDUSSCGKSA-N 0 0 305.396 0.377 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000633351340 417414316 /nfs/dbraw/zinc/41/43/16/417414316.db2.gz RHIGJLAHPXMZPU-GARJFASQSA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000633381451 417419578 /nfs/dbraw/zinc/41/95/78/417419578.db2.gz CMLHZSXWCASMSJ-SMDDNHRTSA-N 0 0 318.377 0.844 10 0 DCAERN C[C@@H](C(=O)N1CCNC(=O)CC1)N1C(=O)c2ccccc2C1=O ZINC000643973398 417429128 /nfs/dbraw/zinc/42/91/28/417429128.db2.gz HTXVNZZMQXMIDY-JTQLQIEISA-N 0 0 315.329 0.020 10 0 DCAERN CCCCS(=O)(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451620390 417367188 /nfs/dbraw/zinc/36/71/88/417367188.db2.gz OAJFYNXNNVYQGF-NSHDSACASA-N 0 0 305.396 0.628 10 0 DCAERN CC(C)NC(=O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451669525 417377712 /nfs/dbraw/zinc/37/77/12/417377712.db2.gz HJKYCYNWUHIGEE-UHFFFAOYSA-N 0 0 305.378 0.828 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000633465835 417435493 /nfs/dbraw/zinc/43/54/93/417435493.db2.gz RQXXFSXLUXFMEX-DOMZBBRYSA-N 0 0 317.345 0.861 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000633614177 417463078 /nfs/dbraw/zinc/46/30/78/417463078.db2.gz NOACVQWWSUEDHA-DZGCQCFKSA-N 0 0 315.373 0.701 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000572782750 417463447 /nfs/dbraw/zinc/46/34/47/417463447.db2.gz AVHSBPZSBIMBBC-SECBINFHSA-N 0 0 324.410 1.341 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@H]2CCCCO2)CC12COC2 ZINC000452267490 417463976 /nfs/dbraw/zinc/46/39/76/417463976.db2.gz VOCGRWXMSPRLAB-CHWSQXEVSA-N 0 0 311.378 0.984 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)c1nccc(N[C@H]2CCCOC2)n1 ZINC000574344318 417483180 /nfs/dbraw/zinc/48/31/80/417483180.db2.gz UFSXWLMZXMOLLR-IDFMNXDXSA-N 0 0 312.439 1.271 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@H]2c3ccccc3C(=O)N2C)C1 ZINC000529997936 417536546 /nfs/dbraw/zinc/53/65/46/417536546.db2.gz SZGCIEORRASWEK-AWEZNQCLSA-N 0 0 301.346 0.408 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cnn(CC)c2)CC12COC2 ZINC000454263714 417553756 /nfs/dbraw/zinc/55/37/56/417553756.db2.gz KZBNWUPNAXHAST-LBPRGKRZSA-N 0 0 322.365 0.946 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(C)c1 ZINC000633876298 417505096 /nfs/dbraw/zinc/50/50/96/417505096.db2.gz LKWWXBCCUNRWKK-HOTGVXAUSA-N 0 0 317.345 0.353 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633887851 417513850 /nfs/dbraw/zinc/51/38/50/417513850.db2.gz UWHPKEZVEBSSCV-HOTGVXAUSA-N 0 0 308.378 0.893 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COCCN2C)cc1 ZINC000627864028 417517682 /nfs/dbraw/zinc/51/76/82/417517682.db2.gz DNRKTRAVWFWGGM-AWEZNQCLSA-N 0 0 319.361 0.275 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000622913175 417517821 /nfs/dbraw/zinc/51/78/21/417517821.db2.gz NOACVQWWSUEDHA-ZFWWWQNUSA-N 0 0 315.373 0.701 10 0 DCAERN COCCc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)cc1 ZINC000453018866 417520170 /nfs/dbraw/zinc/52/01/70/417520170.db2.gz UXDXWTHDMAUNNK-AEGPPILISA-N 0 0 319.357 0.620 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cncc(F)c2)C1 ZINC000439733532 287388424 /nfs/dbraw/zinc/38/84/24/287388424.db2.gz RVIFYHQZBCPAEK-NSHDSACASA-N 0 0 322.340 0.676 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000530460918 417575676 /nfs/dbraw/zinc/57/56/76/417575676.db2.gz MJIPMYHHSDFWGX-IJLUTSLNSA-N 0 0 319.427 0.135 10 0 DCAERN COc1cc(C(N)=O)ccc1NC(=O)NC[C@@H](CO)C1CC1 ZINC000455986962 417621807 /nfs/dbraw/zinc/62/18/07/417621807.db2.gz OLTBQMRRPZVMER-NSHDSACASA-N 0 0 307.350 0.934 10 0 DCAERN Cc1sc2[nH]c(CN3CCOC[C@@H]3CO)nc(=O)c2c1C ZINC000168906423 545879019 /nfs/dbraw/zinc/87/90/19/545879019.db2.gz QYWNWCTVOJDHAG-JTQLQIEISA-N 0 0 309.391 0.795 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)C[C@H](O)COC[C@H]1CCCO1 ZINC000531842649 417645084 /nfs/dbraw/zinc/64/50/84/417645084.db2.gz VVXSBBLZOOCJCJ-MELADBBJSA-N 0 0 303.399 0.815 10 0 DCAERN CN(CC(=O)NC1(c2ccccc2)CCC1)Cc1nnnn1C ZINC000532072484 417658605 /nfs/dbraw/zinc/65/86/05/417658605.db2.gz HLDHWELCJSZOFQ-UHFFFAOYSA-N 0 0 314.393 0.838 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)CC(C)(C)OC)C1 ZINC000532117083 417658986 /nfs/dbraw/zinc/65/89/86/417658986.db2.gz PVRQMZLVSGEQJS-NSHDSACASA-N 0 0 300.403 0.857 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@H]2CCOC[C@H]2O)n1 ZINC000629224888 417761170 /nfs/dbraw/zinc/76/11/70/417761170.db2.gz NFDYQSWZBGEOFG-JGVFFNPUSA-N 0 0 303.771 0.732 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474180 417705630 /nfs/dbraw/zinc/70/56/30/417705630.db2.gz SCIDISFZIKSNOG-GJZGRUSLSA-N 0 0 311.426 0.918 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CC)OCC ZINC000580636694 417718496 /nfs/dbraw/zinc/71/84/96/417718496.db2.gz CEEXHBPPTYWYRO-VWYCJHECSA-N 0 0 302.371 0.374 10 0 DCAERN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458135652 417724105 /nfs/dbraw/zinc/72/41/05/417724105.db2.gz KESASSNAKZNGTD-WDEREUQCSA-N 0 0 324.768 0.876 10 0 DCAERN CC[N@H+](C)[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458151206 417724682 /nfs/dbraw/zinc/72/46/82/417724682.db2.gz WDFCJKMHNHUCCK-HUUCEWRRSA-N 0 0 317.393 0.448 10 0 DCAERN C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458151262 417725822 /nfs/dbraw/zinc/72/58/22/417725822.db2.gz WLBCKLMQBFLVBC-UONOGXRCSA-N 0 0 318.377 0.860 10 0 DCAERN CCc1ccc(CCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458148825 417726031 /nfs/dbraw/zinc/72/60/31/417726031.db2.gz UFJJNKUGNUICHH-OAHLLOKOSA-N 0 0 302.378 0.950 10 0 DCAERN CC(C)n1nccc1[C@@H]1OCC[C@H]1NC(=O)C(=O)NCC1CC1 ZINC000628972543 417736644 /nfs/dbraw/zinc/73/66/44/417736644.db2.gz MTUXFDKXNLWEHD-TZMCWYRMSA-N 0 0 320.393 0.936 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc(OC(C)C)ncn1 ZINC000664273507 418109409 /nfs/dbraw/zinc/10/94/09/418109409.db2.gz SPBFSEIZYGNOPS-ZJUUUORDSA-N 0 0 301.368 0.488 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000664267636 418106896 /nfs/dbraw/zinc/10/68/96/418106896.db2.gz LRHBXRDQXZDUKU-NKWVEPMBSA-N 0 0 311.285 0.719 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000664271153 418107469 /nfs/dbraw/zinc/10/74/69/418107469.db2.gz JRUKIERBTNZMNV-WHFBIAKZSA-N 0 0 317.314 0.781 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CSCC(C)=O)CC12COC2 ZINC000452611249 287482407 /nfs/dbraw/zinc/48/24/07/287482407.db2.gz HIHAYJQTPWHVBD-NSHDSACASA-N 0 0 315.391 0.347 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC2CCOCC2)CC12COC2 ZINC000454325433 287494373 /nfs/dbraw/zinc/49/43/73/287494373.db2.gz FSYJFLYUOPBCTP-LBPRGKRZSA-N 0 0 312.366 0.387 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cnn(C)c2)CC12COC2 ZINC000454336296 287494519 /nfs/dbraw/zinc/49/45/19/287494519.db2.gz ZIODWWBZIKIFRB-NSHDSACASA-N 0 0 308.338 0.464 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@@H]2C)o1 ZINC000487384247 287535641 /nfs/dbraw/zinc/53/56/41/287535641.db2.gz ZCVNHUIBWAETJH-VHSXEESVSA-N 0 0 317.363 0.848 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccsc1 ZINC000487097750 287531825 /nfs/dbraw/zinc/53/18/25/287531825.db2.gz PTUMRZHPDNZRNZ-NXEZZACHSA-N 0 0 312.391 0.863 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000487133682 287532710 /nfs/dbraw/zinc/53/27/10/287532710.db2.gz FUMGMVMTUFXDFU-BJDJZHNGSA-N 0 0 314.382 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@H](C)SC ZINC000487137678 287533135 /nfs/dbraw/zinc/53/31/35/287533135.db2.gz MZARBTUUBLNKHI-AEJSXWLSSA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(C)nc1 ZINC000488251104 287547586 /nfs/dbraw/zinc/54/75/86/287547586.db2.gz LTTSAIAWPXBMFG-VXGBXAGGSA-N 0 0 321.377 0.505 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N1CCC[C@@H]1CO ZINC000489517246 287554675 /nfs/dbraw/zinc/55/46/75/287554675.db2.gz REWFWRPSLYKBAZ-GFCCVEGCSA-N 0 0 303.366 0.828 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000299738779 229371500 /nfs/dbraw/zinc/37/15/00/229371500.db2.gz GHUWJCYVYPAHCY-JTQLQIEISA-N 0 0 305.363 0.916 10 0 DCAERN Cc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nc(C)n1 ZINC000299740624 229375205 /nfs/dbraw/zinc/37/52/05/229375205.db2.gz APNQGEBCINMFTI-OLZOCXBDSA-N 0 0 308.357 0.869 10 0 DCAERN CCn1nccc1CCN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000299741820 229378021 /nfs/dbraw/zinc/37/80/21/229378021.db2.gz GJTWRRXSKLHVRF-HIFRSBDPSA-N 0 0 324.400 0.717 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C(F)(F)F ZINC000299742071 229379282 /nfs/dbraw/zinc/37/92/82/229379282.db2.gz GRVJAEYMQJCWLO-HTQZYQBOSA-N 0 0 303.240 0.523 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000299754335 229398793 /nfs/dbraw/zinc/39/87/93/229398793.db2.gz UZOYHFPTWQAEPR-ZYHUDNBSSA-N 0 0 303.384 0.158 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000189489599 296968293 /nfs/dbraw/zinc/96/82/93/296968293.db2.gz DYSIOHAAUQAFLS-DFBGVHRSSA-N 0 0 317.389 0.886 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCC(F)(F)CO)s2)cn1 ZINC000183898175 261117388 /nfs/dbraw/zinc/11/73/88/261117388.db2.gz BQPGYVPPTXLQLR-UHFFFAOYSA-N 0 0 302.306 0.901 10 0 DCAERN COCCCOC1CN(C(=O)c2cc(OC(F)F)n(C)n2)C1 ZINC000184389818 261118780 /nfs/dbraw/zinc/11/87/80/261118780.db2.gz CBSZTXDDNHZXIH-UHFFFAOYSA-N 0 0 319.308 0.899 10 0 DCAERN COc1cccc2c1nc(NC(=O)c1ccc(=O)n(C)n1)n2C ZINC000184445800 261118944 /nfs/dbraw/zinc/11/89/44/261118944.db2.gz YJPKINPJWKEKCO-UHFFFAOYSA-N 0 0 313.317 0.928 10 0 DCAERN CC(=O)Nc1nc(C(=O)NCc2cc(C(N)=O)co2)cs1 ZINC000187869512 261124843 /nfs/dbraw/zinc/12/48/43/261124843.db2.gz HNWHIZFWHQTTEP-UHFFFAOYSA-N 0 0 308.319 0.723 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000187892863 261125140 /nfs/dbraw/zinc/12/51/40/261125140.db2.gz SDPFCFTTXGGESJ-GFCCVEGCSA-N 0 0 307.350 0.786 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000188045193 261126059 /nfs/dbraw/zinc/12/60/59/261126059.db2.gz HMPUMYXIMNQXIO-HZPDHXFCSA-N 0 0 321.421 0.528 10 0 DCAERN COCC(=O)N(C)CC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000188677847 261129334 /nfs/dbraw/zinc/12/93/34/261129334.db2.gz NKLSNBCOEHVELR-UHFFFAOYSA-N 0 0 308.378 0.773 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)C[C@H](CO)O1 ZINC000188615825 261129827 /nfs/dbraw/zinc/12/98/27/261129827.db2.gz GAGKTYQPGDCTQA-DGCLKSJQSA-N 0 0 308.382 0.439 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1F ZINC000189609294 261132509 /nfs/dbraw/zinc/13/25/09/261132509.db2.gz LEDXNPHHSOVCFB-MFKMUULPSA-N 0 0 324.352 0.935 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000190512631 261134684 /nfs/dbraw/zinc/13/46/84/261134684.db2.gz XPUYKJIYKZBQHP-SNVBAGLBSA-N 0 0 304.350 0.544 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC[C@H]1C ZINC000190692571 261135317 /nfs/dbraw/zinc/13/53/17/261135317.db2.gz UMXFARYWNLJXCO-KGYLQXTDSA-N 0 0 307.398 0.968 10 0 DCAERN Cc1ccc(C[C@@H](CO)NC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000190978561 261136411 /nfs/dbraw/zinc/13/64/11/261136411.db2.gz PDNNQRQKXCJDFD-AWEZNQCLSA-N 0 0 315.373 0.766 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1snnc1C(C)(C)C ZINC000191419746 261137552 /nfs/dbraw/zinc/13/75/52/261137552.db2.gz UGMFEXBWRYIUSR-ZETCQYMHSA-N 0 0 305.425 0.999 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000192470435 261138533 /nfs/dbraw/zinc/13/85/33/261138533.db2.gz REJQOYMJZVYYGS-VXGBXAGGSA-N 0 0 304.412 0.153 10 0 DCAERN Cc1cc(COCC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)on1 ZINC000193639760 261143267 /nfs/dbraw/zinc/14/32/67/261143267.db2.gz DPKMFIRMWHAMSU-GHMZBOCLSA-N 0 0 318.395 0.780 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NCCc1ccsc1 ZINC000194169341 261144669 /nfs/dbraw/zinc/14/46/69/261144669.db2.gz ZGRDXWGWERZSDR-UHFFFAOYSA-N 0 0 302.421 0.832 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000194353982 261146106 /nfs/dbraw/zinc/14/61/06/261146106.db2.gz DQADROVZMUCLGG-CYBMUJFWSA-N 0 0 311.386 0.505 10 0 DCAERN O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CNC(=O)C1 ZINC000194802995 261148304 /nfs/dbraw/zinc/14/83/04/261148304.db2.gz JVLIWOFTSCBVEB-VIFPVBQESA-N 0 0 317.267 0.775 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCCCc1nc(C(C)C)no1 ZINC000195092315 261150653 /nfs/dbraw/zinc/15/06/53/261150653.db2.gz FKTAALRDTGQIOE-UHFFFAOYSA-N 0 0 311.386 0.949 10 0 DCAERN CN(CC1(O)CCCC1)S(=O)(=O)c1c(Cl)cnn1C ZINC000228066128 261152965 /nfs/dbraw/zinc/15/29/65/261152965.db2.gz IMZPXBUYOAPTBY-UHFFFAOYSA-N 0 0 307.803 0.999 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000234550840 261153585 /nfs/dbraw/zinc/15/35/85/261153585.db2.gz SARCSXGVMUMFDZ-OLZOCXBDSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC(OC)CC1 ZINC000234594012 261154682 /nfs/dbraw/zinc/15/46/82/261154682.db2.gz PRJZCEHLFBDZSZ-NWDGAFQWSA-N 0 0 305.396 0.769 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)s1 ZINC000354725329 261263779 /nfs/dbraw/zinc/26/37/79/261263779.db2.gz HUABUPWDADAIEV-OIBJUYFYSA-N 0 0 311.363 0.560 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)o2)[C@H](C)C1 ZINC000357627373 261563214 /nfs/dbraw/zinc/56/32/14/261563214.db2.gz BKNJKVPPDSNNII-SECBINFHSA-N 0 0 308.338 0.141 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NCCc2cn[nH]c2)c1 ZINC000358194129 261646266 /nfs/dbraw/zinc/64/62/66/261646266.db2.gz RLLHLBXMLWVXFL-UHFFFAOYSA-N 0 0 301.350 0.811 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CCO1 ZINC000360698557 261863610 /nfs/dbraw/zinc/86/36/10/261863610.db2.gz DIQGEZQDCWCGSD-LBPRGKRZSA-N 0 0 317.349 0.219 10 0 DCAERN O=C(CNC(=O)Cc1ccc(O)cc1)Nc1cnccc1CO ZINC000360952685 261889217 /nfs/dbraw/zinc/88/92/17/261889217.db2.gz BAUSBYVZITVXRJ-UHFFFAOYSA-N 0 0 315.329 0.577 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2cccc3c2CCO3)no1 ZINC000361947322 261981572 /nfs/dbraw/zinc/98/15/72/261981572.db2.gz RSFKKIPRMAZJSQ-UHFFFAOYSA-N 0 0 316.317 0.910 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000362211337 262009639 /nfs/dbraw/zinc/00/96/39/262009639.db2.gz CJFRKXSIEYVXEU-QMMMGPOBSA-N 0 0 312.395 0.545 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000362477388 262039743 /nfs/dbraw/zinc/03/97/43/262039743.db2.gz UBDLNJNLHFAXGV-UBHSHLNASA-N 0 0 317.389 0.965 10 0 DCAERN COC[C@@H](CCO)NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362720920 262064924 /nfs/dbraw/zinc/06/49/24/262064924.db2.gz BRQFTQLYKMBOQB-CHWSQXEVSA-N 0 0 324.377 0.913 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363975403 262137864 /nfs/dbraw/zinc/13/78/64/262137864.db2.gz QDQYGBJOEAUOFJ-YPMHNXCESA-N 0 0 307.398 0.516 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865399 262155147 /nfs/dbraw/zinc/15/51/47/262155147.db2.gz RZKKABHJIILGIB-OLZOCXBDSA-N 0 0 317.455 0.398 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC(C)(C)C(C)(C)O)C[C@H](C)O1 ZINC000393553097 262161531 /nfs/dbraw/zinc/16/15/31/262161531.db2.gz WBILHXMBVGPNSG-QWRGUYRKSA-N 0 0 308.444 0.727 10 0 DCAERN COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)n1 ZINC000357056432 271039861 /nfs/dbraw/zinc/03/98/61/271039861.db2.gz OAQRVMDYTCKLRY-ZYHUDNBSSA-N 0 0 307.350 0.390 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)OCC ZINC000358388666 271051609 /nfs/dbraw/zinc/05/16/09/271051609.db2.gz MURYUYCOVZJYAM-SCBUBVSKSA-N 0 0 317.407 0.968 10 0 DCAERN COC(=O)COCC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000359139792 271098397 /nfs/dbraw/zinc/09/83/97/271098397.db2.gz FSKFVWXFKIBPHK-JTQLQIEISA-N 0 0 309.322 0.453 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCCc2ccn(C)n2)no1 ZINC000359187431 271101446 /nfs/dbraw/zinc/10/14/46/271101446.db2.gz DNXYPDMDTDGUCQ-SNVBAGLBSA-N 0 0 322.369 0.943 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCN(C(C)=O)C[C@H]2C)s1 ZINC000359187799 271102694 /nfs/dbraw/zinc/10/26/94/271102694.db2.gz DBCVYXGGWJWMFY-SECBINFHSA-N 0 0 317.436 0.947 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](O)C(C)C ZINC000359391262 271112086 /nfs/dbraw/zinc/11/20/86/271112086.db2.gz RCQMZMIDISMJBS-AWEZNQCLSA-N 0 0 321.377 0.741 10 0 DCAERN CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613163 271132381 /nfs/dbraw/zinc/13/23/81/271132381.db2.gz ZCJYLHIIVKSGCW-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H](CNC(=O)c1cccnc1C(F)(F)F)S(N)(=O)=O ZINC000359611490 271133045 /nfs/dbraw/zinc/13/30/45/271133045.db2.gz GFWMBZPCJHLNDY-ZCFIWIBFSA-N 0 0 311.285 0.507 10 0 DCAERN C[C@@H](NC(=O)c1cccc2ncnn21)C(=O)NCc1ccco1 ZINC000359787938 271143469 /nfs/dbraw/zinc/14/34/69/271143469.db2.gz FWKTZWYWBIJNRI-SNVBAGLBSA-N 0 0 313.317 0.757 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000442079858 271664270 /nfs/dbraw/zinc/66/42/70/271664270.db2.gz LTRRGQRGDCNZEP-LLVKDONJSA-N 0 0 312.395 0.168 10 0 DCAERN CCO[C@@H]1C[C@](NCCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762170 271743641 /nfs/dbraw/zinc/74/36/41/271743641.db2.gz YTOUJWXAWQDNQX-ABAIWWIYSA-N 0 0 300.399 0.801 10 0 DCAERN CCCN1CC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445936962 271751488 /nfs/dbraw/zinc/75/14/88/271751488.db2.gz IVZPZLJIGFRPBN-UHFFFAOYSA-N 0 0 311.363 0.773 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445947641 271751831 /nfs/dbraw/zinc/75/18/31/271751831.db2.gz VQLUNFWFYZXDBA-MVZIDQBPSA-N 0 0 323.374 0.986 10 0 DCAERN C[C@H](Sc1ccccc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458118458 271942741 /nfs/dbraw/zinc/94/27/41/271942741.db2.gz BNBQMJHGXVZTCZ-RYUDHWBXSA-N 0 0 306.391 0.936 10 0 DCAERN CC(C)O[C@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458140424 271944772 /nfs/dbraw/zinc/94/47/72/271944772.db2.gz NKFPEEHHJRGCCR-GJZGRUSLSA-N 0 0 318.377 0.922 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](C)CC(C)(C)O)C1 ZINC000458555213 271963403 /nfs/dbraw/zinc/96/34/03/271963403.db2.gz YTYAAVBUDUBOCH-GHMZBOCLSA-N 0 0 300.403 0.639 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000459891203 272016827 /nfs/dbraw/zinc/01/68/27/272016827.db2.gz ZVIXBQJDZFCALJ-OAHLLOKOSA-N 0 0 323.437 0.592 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000471693854 272030016 /nfs/dbraw/zinc/03/00/16/272030016.db2.gz QWUUUCHJGRDIJE-WDEREUQCSA-N 0 0 317.345 0.786 10 0 DCAERN COc1ncc(NS(=O)(=O)N2CCC[C@@H]2C)cc1C(N)=O ZINC000471963634 272033534 /nfs/dbraw/zinc/03/35/34/272033534.db2.gz FPIFFFFPHQJFDB-QMMMGPOBSA-N 0 0 314.367 0.330 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000471942848 272033810 /nfs/dbraw/zinc/03/38/10/272033810.db2.gz UTLLMRSVTJPEDI-SNVBAGLBSA-N 0 0 315.399 0.112 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc(C)cn1 ZINC000487150738 272038553 /nfs/dbraw/zinc/03/85/53/272038553.db2.gz GSOWGYWPRSPRLD-NEPJUHHUSA-N 0 0 324.381 0.154 10 0 DCAERN CNC(=O)c1ccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000488974743 272055685 /nfs/dbraw/zinc/05/56/85/272055685.db2.gz IZUQLYVNYHNXAG-VIFPVBQESA-N 0 0 301.350 0.834 10 0 DCAERN Cc1noc(CNC(=O)NCCCc2nnc3ccccn32)n1 ZINC000489174508 272058237 /nfs/dbraw/zinc/05/82/37/272058237.db2.gz WAYVGHOKXLBKGA-UHFFFAOYSA-N 0 0 315.337 0.853 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000490070119 272069280 /nfs/dbraw/zinc/06/92/80/272069280.db2.gz WJFUTBGFAGGQNA-JTQLQIEISA-N 0 0 315.333 0.624 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccnc1 ZINC000491805046 272104847 /nfs/dbraw/zinc/10/48/47/272104847.db2.gz FSZMNXGGQCLMGA-MNOVXSKESA-N 0 0 322.365 0.337 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)COC ZINC000495185987 272241362 /nfs/dbraw/zinc/24/13/62/272241362.db2.gz ATTCZJYVQUPCSW-MXWKQRLJSA-N 0 0 317.386 0.024 10 0 DCAERN CS(=O)(=O)N1CCC(N2C(=O)CN(C3CCC3)C2=O)CC1 ZINC000521528062 272535161 /nfs/dbraw/zinc/53/51/61/272535161.db2.gz QHRLSVAKWOSCMU-UHFFFAOYSA-N 0 0 315.395 0.227 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C2CC2)O1 ZINC000525944190 272584098 /nfs/dbraw/zinc/58/40/98/272584098.db2.gz DJSMRINRXNLFHP-HACGYAERSA-N 0 0 320.389 0.625 10 0 DCAERN CC1=CCN(CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)CC1 ZINC000525969878 272585024 /nfs/dbraw/zinc/58/50/24/272585024.db2.gz LVSUSFJEWXZTDR-CYBMUJFWSA-N 0 0 315.439 0.467 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000531811806 272770546 /nfs/dbraw/zinc/77/05/46/272770546.db2.gz BJCKHNQKTZREDR-UHFFFAOYSA-N 0 0 315.312 0.807 10 0 DCAERN C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000408044805 287809747 /nfs/dbraw/zinc/80/97/47/287809747.db2.gz WUKUMBTXLJCXFT-AOUSDQRYSA-N 0 0 310.379 0.555 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000538854381 287886361 /nfs/dbraw/zinc/88/63/61/287886361.db2.gz CSXSQIPACWRNLQ-LBPRGKRZSA-N 0 0 303.428 0.900 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 ZINC000177799984 276368962 /nfs/dbraw/zinc/36/89/62/276368962.db2.gz KQNJRNSKXIJYSZ-NWDGAFQWSA-N 0 0 303.428 0.299 10 0 DCAERN COc1cccc(COCC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000541754421 287925792 /nfs/dbraw/zinc/92/57/92/287925792.db2.gz SPLXMFVAISVCOS-OAHLLOKOSA-N 0 0 320.389 0.755 10 0 DCAERN CC(C)(C)Oc1ccc(C(=O)N2CCOC[C@H]2CC(N)=O)nc1 ZINC000457033641 277219546 /nfs/dbraw/zinc/21/95/46/277219546.db2.gz JGMAIOLLZOIIMM-LLVKDONJSA-N 0 0 321.377 0.975 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cccc3ncnn32)O1 ZINC000543421061 287957642 /nfs/dbraw/zinc/95/76/42/287957642.db2.gz TZQQBHFLWWRBNN-CMPLNLGQSA-N 0 0 317.349 0.095 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000543760394 287966809 /nfs/dbraw/zinc/96/68/09/287966809.db2.gz DCFWNDZMZKBBHF-DGCLKSJQSA-N 0 0 323.343 0.616 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)CC1=O ZINC000408258239 277645455 /nfs/dbraw/zinc/64/54/55/277645455.db2.gz ZBVZPZFNNBSWSD-AGIUHOORSA-N 0 0 324.425 0.729 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@@H](C)O1 ZINC000180325688 277662452 /nfs/dbraw/zinc/66/24/52/277662452.db2.gz DFUSLYLDYPCWDN-QJPTWQEYSA-N 0 0 318.439 0.682 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000172371515 287977665 /nfs/dbraw/zinc/97/76/65/287977665.db2.gz FPRDDWQDAIQCTR-YPMHNXCESA-N 0 0 309.387 0.883 10 0 DCAERN O=C(c1cc(Br)c[nH]1)N1CCN2CCOC[C@H]2C1 ZINC000544580957 287978199 /nfs/dbraw/zinc/97/81/99/287978199.db2.gz GYPBVGNSFHYEBQ-SNVBAGLBSA-N 0 0 314.183 0.934 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCS1(=O)=O ZINC000172372077 277860339 /nfs/dbraw/zinc/86/03/39/277860339.db2.gz YFDBGBDKXQKGQR-SNVBAGLBSA-N 0 0 305.359 0.889 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000331215727 277967702 /nfs/dbraw/zinc/96/77/02/277967702.db2.gz VMLHJLIZZMAVQI-ABAIWWIYSA-N 0 0 306.362 0.891 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408074810 277988733 /nfs/dbraw/zinc/98/87/33/277988733.db2.gz WOWFCRBGFNIMLO-PWSUYJOCSA-N 0 0 308.300 0.913 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000342733452 278020178 /nfs/dbraw/zinc/02/01/78/278020178.db2.gz VIDPILHSPXMEAM-PWSUYJOCSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329739281 278023893 /nfs/dbraw/zinc/02/38/93/278023893.db2.gz UTNRIQNEXOYBJG-YUELXQCFSA-N 0 0 309.410 0.319 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000545891178 288004692 /nfs/dbraw/zinc/00/46/92/288004692.db2.gz GTYQZTTXPYEJEN-SNVBAGLBSA-N 0 0 317.436 0.411 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000369970032 278053004 /nfs/dbraw/zinc/05/30/04/278053004.db2.gz OFFJUKVCMYSQFA-VXGBXAGGSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000190216424 278056978 /nfs/dbraw/zinc/05/69/78/278056978.db2.gz IGZHXEIXTCSCBG-JSGCOSHPSA-N 0 0 318.439 0.290 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC(C)(C)C(N)=O ZINC000368777617 278060544 /nfs/dbraw/zinc/06/05/44/278060544.db2.gz UAZAPVFYMYHWSX-CQSZACIVSA-N 0 0 317.389 0.903 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000333489505 278068115 /nfs/dbraw/zinc/06/81/15/278068115.db2.gz UHKDLAAFVRSSEQ-LJISPDSOSA-N 0 0 322.405 0.718 10 0 DCAERN CC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CCCCC1 ZINC000152408169 278081931 /nfs/dbraw/zinc/08/19/31/278081931.db2.gz KJCMMTFPKRDBNS-KGLIPLIRSA-N 0 0 309.410 0.367 10 0 DCAERN COc1ncnc(OC)c1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000171857393 278098711 /nfs/dbraw/zinc/09/87/11/278098711.db2.gz ACTOXKFYQYZVRQ-NSHDSACASA-N 0 0 306.366 0.804 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000546025182 288012776 /nfs/dbraw/zinc/01/27/76/288012776.db2.gz FNXQLVPRBHUXDV-STQMWFEESA-N 0 0 314.407 0.745 10 0 DCAERN Cc1nnc2n1C[C@H](CNS(=O)(=O)N1CCC[C@@H]1C)CC2 ZINC000546731949 288028783 /nfs/dbraw/zinc/02/87/83/288028783.db2.gz WWUAMUKANNNPCE-JQWIXIFHSA-N 0 0 313.427 0.468 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248346 278288073 /nfs/dbraw/zinc/28/80/73/278288073.db2.gz BTCCMXMDCBAIPN-UHFFFAOYSA-N 0 0 318.439 0.574 10 0 DCAERN C[C@@H](NC(=O)CSCCOCCO)C(=O)N1CCCCC1 ZINC000547302370 288037209 /nfs/dbraw/zinc/03/72/09/288037209.db2.gz WFPWIIWUPQUBFE-GFCCVEGCSA-N 0 0 318.439 0.246 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1nnnn1C ZINC000547491623 288052521 /nfs/dbraw/zinc/05/25/21/288052521.db2.gz GLDJJTHTSGPKKK-NEPJUHHUSA-N 0 0 310.402 0.945 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)c1cccc3ncnn31)CCO2 ZINC000547764695 288076747 /nfs/dbraw/zinc/07/67/47/288076747.db2.gz QJRZDQGFLZNOKG-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CCn2ncnc2C1 ZINC000547782210 288078692 /nfs/dbraw/zinc/07/86/92/288078692.db2.gz JVBZPPAZBUWEMZ-UHFFFAOYSA-N 0 0 309.333 0.579 10 0 DCAERN Cn1ccc(CNC(=O)Nc2ccnn2C[C@@H]2CCOC2)n1 ZINC000548177429 288118174 /nfs/dbraw/zinc/11/81/74/288118174.db2.gz DCNQXLIBUQWGQF-NSHDSACASA-N 0 0 304.354 0.975 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCCCN1CCOCC1 ZINC000548664189 288164694 /nfs/dbraw/zinc/16/46/94/288164694.db2.gz CIECXEQQEVBYIR-UKRRQHHQSA-N 0 0 322.409 0.336 10 0 DCAERN Cn1cc(OCC(=O)N2CCCN(c3cccnn3)CC2)cn1 ZINC000548783296 288176323 /nfs/dbraw/zinc/17/63/23/288176323.db2.gz TXRMKBQXQMZDJQ-UHFFFAOYSA-N 0 0 316.365 0.328 10 0 DCAERN CC[C@H]1CCCCCN1C(=O)CN1CCN(CC)C(=O)C1=O ZINC000125382953 288183173 /nfs/dbraw/zinc/18/31/73/288183173.db2.gz KRMHIZMIGPGBCP-ZDUSSCGKSA-N 0 0 309.410 0.858 10 0 DCAERN CCS(=O)(=O)NCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248832528 280020447 /nfs/dbraw/zinc/02/04/47/280020447.db2.gz LNKZWIJPGSQEQP-YNEHKIRRSA-N 0 0 318.439 0.589 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000364400181 280088686 /nfs/dbraw/zinc/08/86/86/280088686.db2.gz NRPDVKCWYNCOJU-PGUXBMHVSA-N 0 0 309.366 0.248 10 0 DCAERN O=C([C@@H]1CCc2nncn2C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328924831 280101576 /nfs/dbraw/zinc/10/15/76/280101576.db2.gz NVUXPZXDPGBXFF-WWGRRREGSA-N 0 0 304.394 0.994 10 0 DCAERN CC(C)[C@H](C(=O)N(C)[C@@H]1CCOC1)N1CCCS1(=O)=O ZINC000156061943 280138437 /nfs/dbraw/zinc/13/84/37/280138437.db2.gz ZBGHLHALWDNEQP-VXGBXAGGSA-N 0 0 304.412 0.294 10 0 DCAERN Cc1c2nnc(C(F)(F)F)n2nc(N2CC(=O)N(C)C2)c1C ZINC000408171731 280275867 /nfs/dbraw/zinc/27/58/67/280275867.db2.gz NAXXVTIGUGUJGH-UHFFFAOYSA-N 0 0 314.271 0.996 10 0 DCAERN CC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000408347415 280348764 /nfs/dbraw/zinc/34/87/64/280348764.db2.gz YSDYRLWGQFJCAH-YPMHNXCESA-N 0 0 305.396 0.218 10 0 DCAERN COc1cnc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nc1 ZINC000551196909 288224935 /nfs/dbraw/zinc/22/49/35/288224935.db2.gz CTQFMFHABZLGRM-AAEUAGOBSA-N 0 0 306.366 0.278 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCCCC2)CCN1CCO ZINC000188727730 288231654 /nfs/dbraw/zinc/23/16/54/288231654.db2.gz AZWSPHYSEHCTKC-CYBMUJFWSA-N 0 0 305.444 0.106 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000365366178 280492864 /nfs/dbraw/zinc/49/28/64/280492864.db2.gz RKUFKBRXXAOZHP-JHJVBQTASA-N 0 0 303.424 0.941 10 0 DCAERN CC(C)[C@]1(C)C[C@H]1N1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333924850 280546634 /nfs/dbraw/zinc/54/66/34/280546634.db2.gz TZQLBNWDONWNGZ-BREBYQMCSA-N 0 0 300.380 0.482 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCN(C)C1=O ZINC000552140297 288266118 /nfs/dbraw/zinc/26/61/18/288266118.db2.gz MHRRWRXTCPSKIO-LLVKDONJSA-N 0 0 305.334 0.516 10 0 DCAERN Cc1cc(CCNC(=O)c2cn(Cc3ccccn3)nn2)on1 ZINC000552727958 288279711 /nfs/dbraw/zinc/27/97/11/288279711.db2.gz UURDGSXFAIAXHX-UHFFFAOYSA-N 0 0 312.333 0.990 10 0 DCAERN CC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552741574 288279716 /nfs/dbraw/zinc/27/97/16/288279716.db2.gz DDHAKDCMMBKJRS-GFCCVEGCSA-N 0 0 302.334 0.910 10 0 DCAERN Cc1nc(CNC(=O)C(=O)N(C)CCCO)nc2ccccc12 ZINC000553200326 288290612 /nfs/dbraw/zinc/29/06/12/288290612.db2.gz IQFKGHNTGNLXGU-UHFFFAOYSA-N 0 0 316.361 0.395 10 0 DCAERN C[C@@H]1CN(c2ncncc2Br)CCS1(=O)=O ZINC000268857979 288285393 /nfs/dbraw/zinc/28/53/93/288285393.db2.gz ZTDXPUSITNCXKU-SSDOTTSWSA-N 0 0 306.185 0.862 10 0 DCAERN CC[C@H]1CN([C@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000245724102 288298176 /nfs/dbraw/zinc/29/81/76/288298176.db2.gz HZCAUYBPJQWJLY-ZJUUUORDSA-N 0 0 306.357 0.492 10 0 DCAERN O=C(NCC1CC1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000554283273 288317394 /nfs/dbraw/zinc/31/73/94/288317394.db2.gz COQSQFNVAZQBRH-GFCCVEGCSA-N 0 0 315.439 0.900 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)NCCOCC2CCC2)C1 ZINC000554525561 288326252 /nfs/dbraw/zinc/32/62/52/288326252.db2.gz RUOHTVPWGSSLQP-GFCCVEGCSA-N 0 0 304.412 0.632 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000554562559 288328977 /nfs/dbraw/zinc/32/89/77/288328977.db2.gz LBEGJTULUNXGNV-SECBINFHSA-N 0 0 306.288 0.552 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000554568635 288329545 /nfs/dbraw/zinc/32/95/45/288329545.db2.gz FOEKWSPHSRUVFK-UHFFFAOYSA-N 0 0 303.366 0.939 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@H]1CCCO[C@@H]1C)C2 ZINC000329286948 281656077 /nfs/dbraw/zinc/65/60/77/281656077.db2.gz HCIOUVIQDUCCEV-NEPJUHHUSA-N 0 0 305.378 0.963 10 0 DCAERN Cn1cc(C[C@@H](CO)CNC(=O)Cc2cccc(O)c2)cn1 ZINC000555543350 288354084 /nfs/dbraw/zinc/35/40/84/288354084.db2.gz WYDBRWWAZPPKJH-CQSZACIVSA-N 0 0 303.362 0.636 10 0 DCAERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1cc[nH]n1 ZINC000555579683 288357575 /nfs/dbraw/zinc/35/75/75/288357575.db2.gz OJBNORPPBXVBFU-NSHDSACASA-N 0 0 316.361 0.821 10 0 DCAERN Cc1cc(CCNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)on1 ZINC000557140967 288411187 /nfs/dbraw/zinc/41/11/87/288411187.db2.gz YPXKJRJVYIEWHB-STQMWFEESA-N 0 0 319.361 0.817 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)C1=O ZINC000559275476 288469288 /nfs/dbraw/zinc/46/92/88/288469288.db2.gz GUNFLTSUZDATQE-GFCCVEGCSA-N 0 0 304.350 0.945 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000560360526 288494855 /nfs/dbraw/zinc/49/48/55/288494855.db2.gz XBHCVGADHNYQCK-QWHCGFSZSA-N 0 0 306.362 0.663 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@H]2CCc3nc(C)ncc3C2)C1 ZINC000560363989 288495413 /nfs/dbraw/zinc/49/54/13/288495413.db2.gz TUHOREVFHICOCY-MELADBBJSA-N 0 0 320.393 0.434 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000562532003 288582568 /nfs/dbraw/zinc/58/25/68/288582568.db2.gz IHVWESMOKZTUCR-UHFFFAOYSA-N 0 0 319.361 0.375 10 0 DCAERN COCc1cc(N2CCN(C(C)(C)C(=O)OC)CC2)ncn1 ZINC000565398314 288848946 /nfs/dbraw/zinc/84/89/46/288848946.db2.gz LMNMBIGOTHSOGA-UHFFFAOYSA-N 0 0 308.382 0.697 10 0 DCAERN CN(C(=O)N[C@@H]1CCC[C@@]1(C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000408019237 288853890 /nfs/dbraw/zinc/85/38/90/288853890.db2.gz XMDYKJISIFUCOS-WZRBSPASSA-N 0 0 304.412 0.366 10 0 DCAERN CN(C(=O)N[C@@H]1CCC[C@]1(C)CO)[C@H]1CCS(=O)(=O)C1 ZINC000408019233 288854512 /nfs/dbraw/zinc/85/45/12/288854512.db2.gz XMDYKJISIFUCOS-DMDPSCGWSA-N 0 0 304.412 0.366 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408181457 289229846 /nfs/dbraw/zinc/22/98/46/289229846.db2.gz CUZXIRRVRWKQOG-UHFFFAOYSA-N 0 0 300.424 0.963 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000408184530 289230954 /nfs/dbraw/zinc/23/09/54/289230954.db2.gz BXTKTAXOLJCPSE-YUSALJHKSA-N 0 0 304.412 0.198 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NCCCC(N)=O)[C@H]1c1ccccc1 ZINC000171990950 289792770 /nfs/dbraw/zinc/79/27/70/289792770.db2.gz SUDMTTCFYPBALE-CZUORRHYSA-N 0 0 317.389 0.978 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CC[C@@H](O)C2)[C@H]1c1ccc(F)cc1 ZINC000118995150 289819315 /nfs/dbraw/zinc/81/93/15/289819315.db2.gz PWXXISJHHJRQRX-UMVBOHGHSA-N 0 0 306.337 0.938 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]21 ZINC000408019722 290083299 /nfs/dbraw/zinc/08/32/99/290083299.db2.gz AKHDTVUFSGPBOL-UTUOFQBUSA-N 0 0 312.414 0.001 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC000328864154 290087527 /nfs/dbraw/zinc/08/75/27/290087527.db2.gz GBHRKHLZUHMSFU-CHWSQXEVSA-N 0 0 303.428 0.122 10 0 DCAERN CN1CC[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110954319 290190317 /nfs/dbraw/zinc/19/03/17/290190317.db2.gz GLXOBMULANSMHE-LSDHHAIUSA-N 0 0 323.437 0.568 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](C)S(=O)(=O)CC2)C1 ZINC000192278036 290450789 /nfs/dbraw/zinc/45/07/89/290450789.db2.gz PFCRQWQJBBWJFP-RYUDHWBXSA-N 0 0 324.468 0.472 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408189509 294144977 /nfs/dbraw/zinc/14/49/77/294144977.db2.gz XEZNCCGMXXXDKS-XHVZSJERSA-N 0 0 302.330 0.974 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000367038586 294288773 /nfs/dbraw/zinc/28/87/73/294288773.db2.gz ZRQDNAJFAXXOIC-MROQNXINSA-N 0 0 307.412 0.619 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCO[C@]4(CCOC4)C3)cnc21 ZINC000329957175 294473730 /nfs/dbraw/zinc/47/37/30/294473730.db2.gz PIEAPXOJZTZOFM-OAHLLOKOSA-N 0 0 302.334 0.600 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(Br)n1 ZINC000220149100 295159332 /nfs/dbraw/zinc/15/93/32/295159332.db2.gz IGLMPEFMELIHBZ-MRVPVSSYSA-N 0 0 314.139 0.170 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCCN(c2ccccc2)CC1 ZINC000111574487 295496063 /nfs/dbraw/zinc/49/60/63/295496063.db2.gz ULTGMMZRBLQLSJ-UHFFFAOYSA-N 0 0 316.361 0.277 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000375357842 297170331 /nfs/dbraw/zinc/17/03/31/297170331.db2.gz WFVZTUOOFYEMNI-WRWGMCAJSA-N 0 0 302.396 0.382 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)[C@H]1CCCC12OCCO2 ZINC000376196824 297265281 /nfs/dbraw/zinc/26/52/81/297265281.db2.gz MSSPTGSLIFNVEX-RBSFLKMASA-N 0 0 324.421 0.851 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000329469204 297809244 /nfs/dbraw/zinc/80/92/44/297809244.db2.gz XJZYTVBBNIDGLE-MGPQQGTHSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248657796 297970441 /nfs/dbraw/zinc/97/04/41/297970441.db2.gz FRGTZHVVGWQEEC-IJLUTSLNSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[S@](=O)[C@H](C)C1 ZINC000408212189 298120941 /nfs/dbraw/zinc/12/09/41/298120941.db2.gz UYVFJBQSUQANTD-ZLMDCXFVSA-N 0 0 303.428 0.452 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408189765 298122759 /nfs/dbraw/zinc/12/27/59/298122759.db2.gz PTVZQTKLMUIBRP-PRHODGIISA-N 0 0 323.315 0.752 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000191745845 300584924 /nfs/dbraw/zinc/58/49/24/300584924.db2.gz MNPSCRFGGSIVFU-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000333425992 300627104 /nfs/dbraw/zinc/62/71/04/300627104.db2.gz TXQSIGFJOBGYBH-RTXFEEFZSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@]1(NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333218868 300834947 /nfs/dbraw/zinc/83/49/47/300834947.db2.gz WBYUBNGBRFFEJN-RHYQMDGZSA-N 0 0 307.437 0.672 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000408449083 301243510 /nfs/dbraw/zinc/24/35/10/301243510.db2.gz DSCROSRZYMOOAB-NHYWBVRUSA-N 0 0 319.365 0.262 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NC(N)=O ZINC000183736671 301319859 /nfs/dbraw/zinc/31/98/59/301319859.db2.gz MQQIFTKWZVILDZ-JOYOIKCWSA-N 0 0 322.340 0.190 10 0 DCAERN O=S(=O)(NCC1(CO)CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333110561 304760295 /nfs/dbraw/zinc/76/02/95/304760295.db2.gz DWLJOLSNJPYNGO-FRRDWIJNSA-N 0 0 303.424 0.884 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)c2n1 ZINC000074399048 302265735 /nfs/dbraw/zinc/26/57/35/302265735.db2.gz CLPOBBKOFOOWQQ-ZDUSSCGKSA-N 0 0 308.363 0.345 10 0 DCAERN Cc1nc(C(=O)N[C@H]2COc3ccccc3C2=O)c(=O)[nH]c1C ZINC000181554301 302558699 /nfs/dbraw/zinc/55/86/99/302558699.db2.gz MGAUDTOIMATOFD-NSHDSACASA-N 0 0 313.313 0.760 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccc(C(N)=O)cc2)cn1 ZINC000181353577 302937089 /nfs/dbraw/zinc/93/70/89/302937089.db2.gz HNCAHHBRCHALMU-CQSZACIVSA-N 0 0 313.361 0.306 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408240907 302983888 /nfs/dbraw/zinc/98/38/88/302983888.db2.gz GOHYPCNFSXEAPK-WCQYABFASA-N 0 0 312.391 0.360 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3c3nc[nH]n3)cnc21 ZINC000329104148 303024548 /nfs/dbraw/zinc/02/45/48/303024548.db2.gz GKQRYYYAUSPEIU-LLVKDONJSA-N 0 0 313.321 0.300 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000408256622 303291883 /nfs/dbraw/zinc/29/18/83/303291883.db2.gz OIVJTVSESNGXQF-UTUOFQBUSA-N 0 0 320.397 0.846 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cscc1Br ZINC000285786504 303307951 /nfs/dbraw/zinc/30/79/51/303307951.db2.gz KMMXUFQSCQVUGB-QMMMGPOBSA-N 0 0 319.180 0.837 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc2c(c1O)CCCC2 ZINC000183691938 303333995 /nfs/dbraw/zinc/33/39/95/303333995.db2.gz ULFMMZJRQLJCEQ-CYBMUJFWSA-N 0 0 304.346 0.597 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NCC3(C)COC3)[C@@H]2C1 ZINC000570824480 332823647 /nfs/dbraw/zinc/82/36/47/332823647.db2.gz YZLAGAVYNKGERW-MJBXVCDLSA-N 0 0 309.410 0.969 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H](C2CC2)O1 ZINC000332819299 332878267 /nfs/dbraw/zinc/87/82/67/332878267.db2.gz XPWIMUUFQAVZAS-DEQVHRJGSA-N 0 0 321.381 0.427 10 0 DCAERN CO[C@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@H](C)C1 ZINC000332826961 332879445 /nfs/dbraw/zinc/87/94/45/332879445.db2.gz LSZYWIRVWKESFM-MROQNXINSA-N 0 0 309.370 0.427 10 0 DCAERN C[C@H]1SCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H]1C ZINC000332832559 332880968 /nfs/dbraw/zinc/88/09/68/332880968.db2.gz SYKFFOKTPTYBDF-WISYIIOYSA-N 0 0 311.411 0.753 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186028781 332910038 /nfs/dbraw/zinc/91/00/38/332910038.db2.gz PYIKAWXYDPLFCM-CZUORRHYSA-N 0 0 310.394 0.651 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186028796 332910071 /nfs/dbraw/zinc/91/00/71/332910071.db2.gz PYIKAWXYDPLFCM-XJKSGUPXSA-N 0 0 310.394 0.651 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186200995 332917667 /nfs/dbraw/zinc/91/76/67/332917667.db2.gz ZCYNRAXJHZEYQV-JTQLQIEISA-N 0 0 305.382 0.460 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)NCC2(C)COC2)C1(C)C ZINC000188749609 333054693 /nfs/dbraw/zinc/05/46/93/333054693.db2.gz KEOFASLCGQMWPD-XHDPSFHLSA-N 0 0 300.399 0.888 10 0 DCAERN O=C(CS(=O)(=O)C1CC1)N[C@H]1COc2ccc(F)cc2C1 ZINC000583546756 335711665 /nfs/dbraw/zinc/71/16/65/335711665.db2.gz COCKLTCJDQJDAT-LLVKDONJSA-N 0 0 313.350 0.823 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nnc[nH]1 ZINC000584539475 337359419 /nfs/dbraw/zinc/35/94/19/337359419.db2.gz SVLVEIGRBFWHSH-AWEZNQCLSA-N 0 0 313.361 0.437 10 0 DCAERN O=C(NCC[C@@H]1CCOC1)C(=O)N1CCOC2(CCCC2)C1 ZINC000575349594 341794302 /nfs/dbraw/zinc/79/43/02/341794302.db2.gz WCICFFVFUIEXFH-CYBMUJFWSA-N 0 0 310.394 0.701 10 0 DCAERN C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000577765038 341935489 /nfs/dbraw/zinc/93/54/89/341935489.db2.gz ZXMGZKKMOXGJGN-STQMWFEESA-N 0 0 321.421 0.905 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)CCNS(C)(=O)=O)cc21 ZINC000577998139 341966133 /nfs/dbraw/zinc/96/61/33/341966133.db2.gz DEPDGBIMPWLQDB-UHFFFAOYSA-N 0 0 323.374 0.416 10 0 DCAERN C[C@H](NC(=O)NCCC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000178895975 341970181 /nfs/dbraw/zinc/97/01/81/341970181.db2.gz BESGYMPESPQLTI-JTQLQIEISA-N 0 0 302.338 0.503 10 0 DCAERN C[C@H](NC(=O)c1cn(C)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000179335557 533772405 /nfs/dbraw/zinc/77/24/05/533772405.db2.gz FCMFLQVJUSDLQJ-VIFPVBQESA-N 0 0 308.363 0.559 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116904434 518654989 /nfs/dbraw/zinc/65/49/89/518654989.db2.gz WYYJSHQKWOSCGA-JTQLQIEISA-N 0 0 312.457 0.376 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)CNC(=O)c1cccnc1 ZINC000158538749 519329065 /nfs/dbraw/zinc/32/90/65/519329065.db2.gz HHHJEDDJZYMVJH-ZDUSSCGKSA-N 0 0 307.394 0.972 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000188174357 519493099 /nfs/dbraw/zinc/49/30/99/519493099.db2.gz FQUQZEXQJQQWJM-LLVKDONJSA-N 0 0 313.361 0.923 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000191346740 519647298 /nfs/dbraw/zinc/64/72/98/519647298.db2.gz ZBNOGLGOTOXAOC-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000189951081 519647933 /nfs/dbraw/zinc/64/79/33/519647933.db2.gz UNVIEJYQCYECRC-UHFFFAOYSA-N 0 0 324.768 0.808 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)CCN3C(C)=O)C1 ZINC000190500529 519648946 /nfs/dbraw/zinc/64/89/46/519648946.db2.gz AHLXCHNDJLQICJ-UHFFFAOYSA-N 0 0 301.346 0.556 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000129131534 519650774 /nfs/dbraw/zinc/65/07/74/519650774.db2.gz RYIFTDRWPCPFPM-ZDUSSCGKSA-N 0 0 321.377 0.894 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000246998731 519692388 /nfs/dbraw/zinc/69/23/88/519692388.db2.gz IKWHEFIHZPEPON-RDBSUJKOSA-N 0 0 309.410 0.842 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247484371 519766752 /nfs/dbraw/zinc/76/67/52/519766752.db2.gz WKUZWCYNAUEAST-QWHCGFSZSA-N 0 0 304.456 0.902 10 0 DCAERN CCCN1CCCN(C(=O)NCCn2cc(C)cn2)CC1=O ZINC000190178765 519849402 /nfs/dbraw/zinc/84/94/02/519849402.db2.gz YRGQQDNHQUTROW-UHFFFAOYSA-N 0 0 307.398 0.845 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1C ZINC000117280683 519917425 /nfs/dbraw/zinc/91/74/25/519917425.db2.gz HOSYCFRYBGNNEB-ZDUSSCGKSA-N 0 0 307.394 0.568 10 0 DCAERN CCOCCNC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188147971 519942954 /nfs/dbraw/zinc/94/29/54/519942954.db2.gz WKNVICRXAWAVAI-KBPBESRZSA-N 0 0 312.435 0.909 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185253226 520814161 /nfs/dbraw/zinc/81/41/61/520814161.db2.gz RSRNQMKMQSJMKC-GFCCVEGCSA-N 0 0 301.350 0.709 10 0 DCAERN CCN(CCc1nccs1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000131519486 521176246 /nfs/dbraw/zinc/17/62/46/521176246.db2.gz SAALDQMRBORUAF-UHFFFAOYSA-N 0 0 322.390 0.095 10 0 DCAERN CCCc1cc(N2CC(NC(=O)C3CC3)C2)n2ncnc2n1 ZINC000189162809 521367095 /nfs/dbraw/zinc/36/70/95/521367095.db2.gz KBXSNLRWNWFGKI-UHFFFAOYSA-N 0 0 300.366 0.792 10 0 DCAERN CCN1CCCN(C(=O)c2cnn3ccc(C)nc23)CC1=O ZINC000188065531 521611136 /nfs/dbraw/zinc/61/11/36/521611136.db2.gz VNOKBOUKUPPDDT-UHFFFAOYSA-N 0 0 301.350 0.732 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC000246559205 521644583 /nfs/dbraw/zinc/64/45/83/521644583.db2.gz FFKNJTNKLAFXGE-NEPJUHHUSA-N 0 0 305.444 0.545 10 0 DCAERN CCc1cccc2c(CC(=O)N[C@H](CO)C(=O)OC)c[nH]c21 ZINC000188742094 521789985 /nfs/dbraw/zinc/78/99/85/521789985.db2.gz YKTAWGGXINQHLX-CYBMUJFWSA-N 0 0 304.346 0.923 10 0 DCAERN CNC(=O)c1ccc(N2CCC(Nc3cccnn3)CC2)nn1 ZINC000266856602 521831493 /nfs/dbraw/zinc/83/14/93/521831493.db2.gz UIKBODFCPXDOKR-UHFFFAOYSA-N 0 0 313.365 0.707 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C(C)(C)c1ccccc1F ZINC000188989070 522192274 /nfs/dbraw/zinc/19/22/74/522192274.db2.gz QLGBQNBBVHXCIG-UHFFFAOYSA-N 0 0 302.371 0.769 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000188960032 522203074 /nfs/dbraw/zinc/20/30/74/522203074.db2.gz JZZSWAQWADHFPI-UHFFFAOYSA-N 0 0 310.335 0.016 10 0 DCAERN CCc1nc(CCNC(=O)N2CCN3CCOC[C@H]3C2)cs1 ZINC000364856739 522268377 /nfs/dbraw/zinc/26/83/77/522268377.db2.gz OMMUNAQWYJOOHL-CYBMUJFWSA-N 0 0 324.450 0.974 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000132412870 522315736 /nfs/dbraw/zinc/31/57/36/522315736.db2.gz CHFPSBCSJZUHQA-SFYZADRCSA-N 0 0 306.409 0.403 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cn1 ZINC000154411936 522353455 /nfs/dbraw/zinc/35/34/55/522353455.db2.gz XDPQWOQASDNBCD-MNOVXSKESA-N 0 0 306.370 0.708 10 0 DCAERN CN(CC(C)(C)O)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000189968084 522550852 /nfs/dbraw/zinc/55/08/52/522550852.db2.gz KOYMLJVOJRUUOL-UHFFFAOYSA-N 0 0 317.349 0.640 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000189125340 522596048 /nfs/dbraw/zinc/59/60/48/522596048.db2.gz QCTVBGQPQMTGTK-UHFFFAOYSA-N 0 0 308.353 0.715 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127714119 522720436 /nfs/dbraw/zinc/72/04/36/522720436.db2.gz UPMHJUCRGWBHEX-LBPRGKRZSA-N 0 0 312.391 0.753 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@H](O)c2cccc(F)c2)C1 ZINC000189197983 522754929 /nfs/dbraw/zinc/75/49/29/522754929.db2.gz VGTHUQAATOHNFL-ZDUSSCGKSA-N 0 0 310.325 0.223 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCc3cc(F)ccc32)C1 ZINC000188503260 522757867 /nfs/dbraw/zinc/75/78/67/522757867.db2.gz UDXLAYJLXMZQPI-AWEZNQCLSA-N 0 0 321.352 0.969 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 ZINC000189454741 522812727 /nfs/dbraw/zinc/81/27/27/522812727.db2.gz DXYUANCGCXOCKW-AWEZNQCLSA-N 0 0 319.405 0.849 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000128140686 522814874 /nfs/dbraw/zinc/81/48/74/522814874.db2.gz UHLWLTSTNGDSAG-ZDUSSCGKSA-N 0 0 306.410 0.748 10 0 DCAERN CN(CCc1nccs1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000157991547 522990683 /nfs/dbraw/zinc/99/06/83/522990683.db2.gz SCOOUBJZNNITCY-LLVKDONJSA-N 0 0 310.423 0.341 10 0 DCAERN COCc1cccc(CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000188175106 523040079 /nfs/dbraw/zinc/04/00/79/523040079.db2.gz VCNPWVXAAROGLW-INIZCTEOSA-N 0 0 322.405 0.185 10 0 DCAERN COC(=O)CCN1CCN(C(=O)CCc2ccnn2C)[C@H](C)C1 ZINC000131359007 523075214 /nfs/dbraw/zinc/07/52/14/523075214.db2.gz CASWEVUNZXFAEP-CYBMUJFWSA-N 0 0 322.409 0.449 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@H]1CO ZINC000153862384 534689011 /nfs/dbraw/zinc/68/90/11/534689011.db2.gz IUUOGUSCFFZSHN-JTQLQIEISA-N 0 0 307.741 0.913 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](OC)C2)ccc1=O ZINC000191301518 523406159 /nfs/dbraw/zinc/40/61/59/523406159.db2.gz YFRNXCWYGXETPE-WCQYABFASA-N 0 0 321.377 0.690 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC000158244587 523725066 /nfs/dbraw/zinc/72/50/66/523725066.db2.gz COLFUHDFVPTLFY-GMTAPVOTSA-N 0 0 310.316 0.933 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](OC)C2)n(C)n1 ZINC000191290990 523799678 /nfs/dbraw/zinc/79/96/78/523799678.db2.gz MEIDIPXIFOMSEV-ZYHUDNBSSA-N 0 0 308.382 0.804 10 0 DCAERN COCCN1CCN(C(=O)CCCCCNC(C)=O)C[C@@H]1C ZINC000117292804 523838682 /nfs/dbraw/zinc/83/86/82/523838682.db2.gz VUSIIVIUKZDSHX-AWEZNQCLSA-N 0 0 313.442 0.862 10 0 DCAERN COCCN1CCN(C(=O)CCCCCNC(C)=O)C[C@H]1C ZINC000117292802 523840023 /nfs/dbraw/zinc/84/00/23/523840023.db2.gz VUSIIVIUKZDSHX-CQSZACIVSA-N 0 0 313.442 0.862 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116834575 523896070 /nfs/dbraw/zinc/89/60/70/523896070.db2.gz FYCSWEMNTXAUOL-LBPRGKRZSA-N 0 0 312.391 0.388 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000365108249 523933915 /nfs/dbraw/zinc/93/39/15/523933915.db2.gz CDXHXBXUKCBWFO-AEFFLSMTSA-N 0 0 318.417 0.913 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)CCC1=O ZINC000128810721 524010709 /nfs/dbraw/zinc/01/07/09/524010709.db2.gz HDMAWYJFMCHGES-QWHCGFSZSA-N 0 0 309.341 0.779 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)nc(C(F)(F)F)n1 ZINC000188815823 524100701 /nfs/dbraw/zinc/10/07/01/524100701.db2.gz ANTKXCFOGICDDQ-VIFPVBQESA-N 0 0 318.299 0.864 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000364216928 524260108 /nfs/dbraw/zinc/26/01/08/524260108.db2.gz MYZJMHJHWWEHSQ-VXGBXAGGSA-N 0 0 316.427 0.205 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C[C@@H](O)[C@H](O)C2)c2ccccc2S1 ZINC000368439218 524449172 /nfs/dbraw/zinc/44/91/72/524449172.db2.gz RYHWREQCOMRACS-MRVWCRGKSA-N 0 0 322.430 0.941 10 0 DCAERN C[C@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1N1CCOCC1 ZINC000266130657 524552098 /nfs/dbraw/zinc/55/20/98/524552098.db2.gz DDZMLFQWINTNPB-QWHCGFSZSA-N 0 0 315.377 0.522 10 0 DCAERN COc1ccccc1N1C[C@@H](C(=O)NCC[C@@H](C)O)CC1=O ZINC000136036791 524579967 /nfs/dbraw/zinc/57/99/67/524579967.db2.gz UAZPAACXWLKPKZ-NEPJUHHUSA-N 0 0 306.362 0.935 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)cc21 ZINC000189848570 524953680 /nfs/dbraw/zinc/95/36/80/524953680.db2.gz HBDNGIUGRHXFNQ-VIFPVBQESA-N 0 0 318.308 0.975 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(=O)NC(C)(C)C ZINC000176601010 525094412 /nfs/dbraw/zinc/09/44/12/525094412.db2.gz DSSNFXYYMODUBU-VHSXEESVSA-N 0 0 308.386 0.715 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@H]1CCCC1(C)C)c2=O ZINC000174933857 534837567 /nfs/dbraw/zinc/83/75/67/534837567.db2.gz POYPLJFXRVWUSG-NSHDSACASA-N 0 0 303.366 0.825 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCC(=O)NC2CC2)c1 ZINC000157401468 525281623 /nfs/dbraw/zinc/28/16/23/525281623.db2.gz UZZHKKUZWXCHDV-UHFFFAOYSA-N 0 0 302.377 0.160 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000190051554 525595828 /nfs/dbraw/zinc/59/58/28/525595828.db2.gz YYBPNWFCIYKMDE-SUHUHFCYSA-N 0 0 312.391 0.484 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)[C@H]3COCCN3)C2)c1 ZINC000246258355 526144749 /nfs/dbraw/zinc/14/47/49/526144749.db2.gz KOQXAXKYVZFTLE-XJKSGUPXSA-N 0 0 319.405 0.769 10 0 DCAERN C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)Nc1ccccc1C(N)=O ZINC000191280588 526229139 /nfs/dbraw/zinc/22/91/39/526229139.db2.gz SPCIEQPQDKDILT-GHMZBOCLSA-N 0 0 305.378 0.958 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000152619676 526262273 /nfs/dbraw/zinc/26/22/73/526262273.db2.gz LOVBIYGUDAYERK-OLZOCXBDSA-N 0 0 305.382 0.644 10 0 DCAERN O=C(CCOCC(F)F)N1CCO[C@H](Cn2cccn2)C1 ZINC000191590038 526520893 /nfs/dbraw/zinc/52/08/93/526520893.db2.gz KOQWVHSRXQGYDM-NSHDSACASA-N 0 0 303.309 0.782 10 0 DCAERN CC(=O)N1CCN(CCNc2nccnc2OC(C)C)CC1 ZINC000302006188 526628098 /nfs/dbraw/zinc/62/80/98/526628098.db2.gz ABCLMZKRMOZYDE-UHFFFAOYSA-N 0 0 307.398 0.840 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000330913084 526679538 /nfs/dbraw/zinc/67/95/38/526679538.db2.gz HEZXUDOTFSGUJA-JTQLQIEISA-N 0 0 322.452 0.237 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H]1CCOC1 ZINC000267745644 526777789 /nfs/dbraw/zinc/77/77/89/526777789.db2.gz LUAIJQCTPFFCRS-JTQLQIEISA-N 0 0 316.379 0.699 10 0 DCAERN O=C(c1cccnc1Br)N1CCO[C@H](CO)C1 ZINC000225972843 526819776 /nfs/dbraw/zinc/81/97/76/526819776.db2.gz RBSKVPSBOIVDLZ-QMMMGPOBSA-N 0 0 301.140 0.677 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000247964148 526888866 /nfs/dbraw/zinc/88/88/66/526888866.db2.gz DILJJASSELFEOM-DMDPSCGWSA-N 0 0 306.366 0.430 10 0 DCAERN O=C(c1cnn2c1CCCC2)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000127988549 526889821 /nfs/dbraw/zinc/88/98/21/526889821.db2.gz JAZQVCPNQDDEHK-LBPRGKRZSA-N 0 0 302.334 0.239 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)N1CC(CO)C1 ZINC000188344175 526922175 /nfs/dbraw/zinc/92/21/75/526922175.db2.gz SXCWGPZAGVKQOM-CQSZACIVSA-N 0 0 321.352 0.560 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191641569 526958550 /nfs/dbraw/zinc/95/85/50/526958550.db2.gz HLELYPORHVEFSZ-YPMHNXCESA-N 0 0 312.333 0.297 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccccn3)C2)cn1 ZINC000366291997 527038390 /nfs/dbraw/zinc/03/83/90/527038390.db2.gz NRUPSBRDRBYOHX-LBPRGKRZSA-N 0 0 312.329 0.869 10 0 DCAERN O=C1NCCc2ccc(S(=O)(=O)NC3CCC(O)CC3)cc21 ZINC000156058028 527071862 /nfs/dbraw/zinc/07/18/62/527071862.db2.gz YHKFADQUTFNNAV-UHFFFAOYSA-N 0 0 324.402 0.554 10 0 DCAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189422321 527096629 /nfs/dbraw/zinc/09/66/29/527096629.db2.gz VXWAKWPZOMGVMJ-CQSZACIVSA-N 0 0 306.337 0.986 10 0 DCAERN O=C1[C@H](N2CCNC(=O)CC2)CCN1c1c(F)cccc1F ZINC000120179604 527113816 /nfs/dbraw/zinc/11/38/16/527113816.db2.gz SKXWEIGWDGMKQC-GFCCVEGCSA-N 0 0 309.316 0.892 10 0 DCAERN Cn1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cn1 ZINC000158897427 527160434 /nfs/dbraw/zinc/16/04/34/527160434.db2.gz ICZJOIURJYLGFD-OLZOCXBDSA-N 0 0 305.334 0.978 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)Cn1cnc3ccccc3c1=O)C2 ZINC000267092726 527191620 /nfs/dbraw/zinc/19/16/20/527191620.db2.gz MNGVVCPGIVLGHH-UHFFFAOYSA-N 0 0 324.344 0.339 10 0 DCAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1c[nH]c2ncccc12 ZINC000267605626 527243050 /nfs/dbraw/zinc/24/30/50/527243050.db2.gz GDOJHOZJLKLQHW-JTQLQIEISA-N 0 0 318.362 0.968 10 0 DCAERN O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCCSCC1 ZINC000151853399 527295174 /nfs/dbraw/zinc/29/51/74/527295174.db2.gz POYBTADHURDOAJ-NSHDSACASA-N 0 0 317.436 0.972 10 0 DCAERN NS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000129025536 527313098 /nfs/dbraw/zinc/31/30/98/527313098.db2.gz RRBRWLZQXOGCEF-MKCWBWRRSA-N 0 0 314.338 0.523 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2cccnc2)cn1 ZINC000163008426 527315958 /nfs/dbraw/zinc/31/59/58/527315958.db2.gz FVZNQEXFKOAADY-CQSZACIVSA-N 0 0 313.361 0.909 10 0 DCAERN Cn1ccc2cccc(NC(=O)C(=O)N3CCNC(=O)CC3)c21 ZINC000190612023 527375292 /nfs/dbraw/zinc/37/52/92/527375292.db2.gz CTNDYRGDZODLMG-UHFFFAOYSA-N 0 0 314.345 0.465 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)n1 ZINC000184238779 527473264 /nfs/dbraw/zinc/47/32/64/527473264.db2.gz RNJFYZVOCBNEIS-LLVKDONJSA-N 0 0 313.317 0.017 10 0 DCAERN O=C(NC1CC1)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000162047931 527485823 /nfs/dbraw/zinc/48/58/23/527485823.db2.gz XJVSLKIJSJKAMU-ZWNOBZJWSA-N 0 0 310.300 0.878 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)NC1(CO)CCC1 ZINC000194596653 527529128 /nfs/dbraw/zinc/52/91/28/527529128.db2.gz FUDLYAJLHIKNOI-UHFFFAOYSA-N 0 0 321.381 0.753 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1Cc3ccccc3C1)c2=O ZINC000105978794 527585722 /nfs/dbraw/zinc/58/57/22/527585722.db2.gz QTLRPDBLODIBQO-UHFFFAOYSA-N 0 0 309.329 0.672 10 0 DCAERN CC1=C(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744740 528070775 /nfs/dbraw/zinc/07/07/75/528070775.db2.gz UUDMRLALLKOUMQ-LLVKDONJSA-N 0 0 319.365 0.625 10 0 DCAERN CC1=C(C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744741 528070933 /nfs/dbraw/zinc/07/09/33/528070933.db2.gz UUDMRLALLKOUMQ-NSHDSACASA-N 0 0 319.365 0.625 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000176431079 528395697 /nfs/dbraw/zinc/39/56/97/528395697.db2.gz GXDPZYJFEKXDRZ-QWRGUYRKSA-N 0 0 316.427 0.495 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NCCCn1ccnn1 ZINC000187797209 528729318 /nfs/dbraw/zinc/72/93/18/528729318.db2.gz FRTRSXWFHDHRCS-VIFPVBQESA-N 0 0 309.292 0.623 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@](C)(O)C1 ZINC000152895823 528806690 /nfs/dbraw/zinc/80/66/90/528806690.db2.gz LVRYTLLSDVHJQA-TZMCWYRMSA-N 0 0 318.439 0.564 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC)CCO ZINC000133760357 528809216 /nfs/dbraw/zinc/80/92/16/528809216.db2.gz XFGSJUYKVYDZGP-RYUDHWBXSA-N 0 0 306.428 0.468 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCNC(=O)C2)CC[S@@]1=O ZINC000186714617 529070460 /nfs/dbraw/zinc/07/04/60/529070460.db2.gz UFQGSCUXCHMBDO-BIBXISHDSA-N 0 0 300.424 0.662 10 0 DCAERN CC(C)N1CC[C@H](N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1=O ZINC000299753514 529078412 /nfs/dbraw/zinc/07/84/12/529078412.db2.gz YJJBHNCDRZSXNK-RYUDHWBXSA-N 0 0 320.397 0.023 10 0 DCAERN COc1cnc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nc1 ZINC000283995975 537125478 /nfs/dbraw/zinc/12/54/78/537125478.db2.gz NBKABOZDZAEFLD-WDEREUQCSA-N 0 0 305.338 0.760 10 0 DCAERN CC[NH2+][C@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678636 545661007 /nfs/dbraw/zinc/66/10/07/545661007.db2.gz BQLNPQJHGYBLMG-SSDOTTSWSA-N 0 0 309.107 0.550 10 0 DCAERN NC(=O)[C@H](Cn1cc(I)cn1)[NH2+]C1CC1 ZINC000070678670 545660834 /nfs/dbraw/zinc/66/08/34/545660834.db2.gz VQUIPFNSGHWHPZ-QMMMGPOBSA-N 0 0 320.134 0.094 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000074812608 545671241 /nfs/dbraw/zinc/67/12/41/545671241.db2.gz AJFGRBQCDGXQFJ-UHFFFAOYSA-N 0 0 324.402 0.999 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CCC1CC1 ZINC000092316092 545721793 /nfs/dbraw/zinc/72/17/93/545721793.db2.gz XJQDQJOOBRVJAN-NSHDSACASA-N 0 0 314.411 0.979 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(Cc2nnc(C)n2C2CC2)C1 ZINC000092843170 545723842 /nfs/dbraw/zinc/72/38/42/545723842.db2.gz BGQZIMIIRDECJB-LBPRGKRZSA-N 0 0 313.427 0.435 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@H]1CCNC(=O)C1 ZINC000123678290 545755472 /nfs/dbraw/zinc/75/54/72/545755472.db2.gz ZJOXNWRYMQNBMO-NSHDSACASA-N 0 0 322.434 0.928 10 0 DCAERN CC(C)C[C@H](C)OCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133112608 545797517 /nfs/dbraw/zinc/79/75/17/545797517.db2.gz AQCCOMMBGJVKDS-LSDHHAIUSA-N 0 0 316.442 0.637 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCNC(=O)CC1 ZINC000151834784 545819740 /nfs/dbraw/zinc/81/97/40/545819740.db2.gz JTQQZQGKGOADON-CYBMUJFWSA-N 0 0 322.409 0.309 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC000156604237 545848530 /nfs/dbraw/zinc/84/85/30/545848530.db2.gz CYUCCVPTJSNZCR-AGIUHOORSA-N 0 0 307.394 0.548 10 0 DCAERN O=C(NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177952052 545893698 /nfs/dbraw/zinc/89/36/98/545893698.db2.gz FGASWWCLZICXLF-OCCSQVGLSA-N 0 0 320.393 0.899 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 ZINC000178129714 545893786 /nfs/dbraw/zinc/89/37/86/545893786.db2.gz XTXPRYJJBJRYHK-UHFFFAOYSA-N 0 0 314.345 0.211 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnn2)C[C@H]1N1CCOCC1 ZINC000182477317 545905081 /nfs/dbraw/zinc/90/50/81/545905081.db2.gz YBZOUQDRVFEYAP-UONOGXRCSA-N 0 0 322.413 0.030 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccccc1-n1ccnn1)C(C)C ZINC000183173488 545907386 /nfs/dbraw/zinc/90/73/86/545907386.db2.gz RZBZONJIJPCULF-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000184331056 545910687 /nfs/dbraw/zinc/91/06/87/545910687.db2.gz PUADONWAJBGANE-WDEREUQCSA-N 0 0 317.436 0.772 10 0 DCAERN CCO[C@@H]1C[C@](O)(CNC(=O)NCC2(C)COC2)C1(C)C ZINC000190683314 545924799 /nfs/dbraw/zinc/92/47/99/545924799.db2.gz IYTZPJCIAUMCQM-ABAIWWIYSA-N 0 0 300.399 0.888 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)nn1-c1ccccc1 ZINC000191988582 545926681 /nfs/dbraw/zinc/92/66/81/545926681.db2.gz HGPXIIVPDDVUKP-CZUORRHYSA-N 0 0 315.373 0.996 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000194181879 545932530 /nfs/dbraw/zinc/93/25/30/545932530.db2.gz RFTJKGASLDYVGI-NWDGAFQWSA-N 0 0 312.414 0.601 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1)C1CC1 ZINC000251707112 545974153 /nfs/dbraw/zinc/97/41/53/545974153.db2.gz JWBIZQFXUZDHTJ-BFHYXJOUSA-N 0 0 319.405 0.864 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000252979573 545975622 /nfs/dbraw/zinc/97/56/22/545975622.db2.gz ILRFXXHONHHAFD-GHMZBOCLSA-N 0 0 314.411 0.791 10 0 DCAERN O=C(NC[C@H]1COc2ccccc2O1)N[C@@H]1CCCNC1=O ZINC000332743340 546058844 /nfs/dbraw/zinc/05/88/44/546058844.db2.gz OCEYQDFMEILAFI-WDEREUQCSA-N 0 0 305.334 0.404 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000332754168 546059602 /nfs/dbraw/zinc/05/96/02/546059602.db2.gz JRNSLMPLYHFNIH-AXFHLTTASA-N 0 0 313.423 0.329 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000332786911 546060308 /nfs/dbraw/zinc/06/03/08/546060308.db2.gz VIRSYSCMQWHQDZ-XEZLXBQYSA-N 0 0 321.381 0.858 10 0 DCAERN O=C(CCNC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCCCC1 ZINC000332880846 546064335 /nfs/dbraw/zinc/06/43/35/546064335.db2.gz VIJGSXJEGHSXKW-MELADBBJSA-N 0 0 309.410 0.801 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCNC1=O ZINC000332924866 546065671 /nfs/dbraw/zinc/06/56/71/546065671.db2.gz HVYHZQHVDXEZNL-RNCFNFMXSA-N 0 0 307.398 0.546 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000333087343 546071581 /nfs/dbraw/zinc/07/15/81/546071581.db2.gz NJJDIQXYCVLHGT-GFCCVEGCSA-N 0 0 323.418 0.724 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000333979708 546097267 /nfs/dbraw/zinc/09/72/67/546097267.db2.gz BDXCPOMSGNRYAE-SOAFEQHCSA-N 0 0 324.421 0.990 10 0 DCAERN COCC[C@@H](COC)NS(=O)(=O)c1ccc(N)cc1F ZINC000383321795 546216817 /nfs/dbraw/zinc/21/68/17/546216817.db2.gz WDZWKAPUSDSEOF-JTQLQIEISA-N 0 0 306.359 0.738 10 0 DCAERN Cc1nc(NC[C@@H]2CCCC[C@@H]2O)sc1S(N)(=O)=O ZINC000388663664 546219306 /nfs/dbraw/zinc/21/93/06/546219306.db2.gz PCXRXSKHLBPJKN-IUCAKERBSA-N 0 0 305.425 0.484 10 0 DCAERN CO[C@]1(CO)CCCN(c2ncccc2S(C)(=O)=O)C1 ZINC000401921243 546226522 /nfs/dbraw/zinc/22/65/22/546226522.db2.gz JCGVVXBIMFJYNQ-CYBMUJFWSA-N 0 0 300.380 0.463 10 0 DCAERN COCCN1CCN(C[C@@H]2CCO[C@H]2c2nccn2C)CC1=O ZINC000667951738 546673400 /nfs/dbraw/zinc/67/34/00/546673400.db2.gz JUQOFGCABRIEOS-DZGCQCFKSA-N 0 0 322.409 0.288 10 0 DCAERN CCN1[C@]2(CCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256627 548748759 /nfs/dbraw/zinc/74/87/59/548748759.db2.gz YJAKPEKOYIBREI-ZDUSSCGKSA-N 0 0 318.395 0.600 10 0 DCAERN COC(=O)[C@@]1(O)CCN(C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000685960897 548749434 /nfs/dbraw/zinc/74/94/34/548749434.db2.gz GORRFJVOQULAER-CZUORRHYSA-N 0 0 322.361 0.521 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248704958 660454393 /nfs/dbraw/zinc/45/43/93/660454393.db2.gz OJBBFBGFRAJKCP-VXNVDRBHSA-N 0 0 323.802 0.152 10 0 DCAERN CCc1ocnc1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888094909 661161774 /nfs/dbraw/zinc/16/17/74/661161774.db2.gz GSLOZEXFSIPTTL-NDMJEZRESA-N 0 0 307.350 0.793 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000739579276 667707403 /nfs/dbraw/zinc/70/74/03/667707403.db2.gz BBOQBAWNCWJIJY-LJQANCHMSA-N 0 0 321.395 0.728 10 0 DCAERN CCOC(=O)CN(CC(=O)N1CCO[C@@H](C)C1)C(C)(C)C ZINC000178213169 657577183 /nfs/dbraw/zinc/57/71/83/657577183.db2.gz ZHWOCWYDUKPYHM-LBPRGKRZSA-N 0 0 300.399 0.897 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2ccc(F)cc2F)CCC1 ZINC000721535977 657599570 /nfs/dbraw/zinc/59/95/70/657599570.db2.gz PZLAUPGSJPCIGN-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN CN1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@H]1CO ZINC000724046384 657917331 /nfs/dbraw/zinc/91/73/31/657917331.db2.gz CKERKODTGWSQJP-IUCAKERBSA-N 0 0 306.275 0.543 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1cccc(C)c1 ZINC000047614374 658021821 /nfs/dbraw/zinc/02/18/21/658021821.db2.gz MTZBIUVVLFPLRM-UHFFFAOYSA-N 0 0 311.385 0.296 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)Nc1nc2c(s1)CCC2 ZINC000725024578 658028771 /nfs/dbraw/zinc/02/87/71/658028771.db2.gz SUUOULKRRYBBGK-QMMMGPOBSA-N 0 0 315.420 0.347 10 0 DCAERN CC(C)CN(CC(C)C)C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725025311 658029093 /nfs/dbraw/zinc/02/90/93/658029093.db2.gz ZVVUPPDOXGAFEV-ZDUSSCGKSA-N 0 0 304.456 0.904 10 0 DCAERN CCc1nc(CNCC[C@@H]2CNCCS2(=O)=O)cs1 ZINC000725038224 658042759 /nfs/dbraw/zinc/04/27/59/658042759.db2.gz UFXHFTDHVLMREP-LLVKDONJSA-N 0 0 303.453 0.572 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCc1cccs1)c2=O ZINC000065663708 658074501 /nfs/dbraw/zinc/07/45/01/658074501.db2.gz AFJOMMUCGURMML-UHFFFAOYSA-N 0 0 318.358 0.977 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CCN(CCO)CC1 ZINC000725089059 658132864 /nfs/dbraw/zinc/13/28/64/658132864.db2.gz UQAFNSZDERSOAV-UHFFFAOYSA-N 0 0 304.437 0.664 10 0 DCAERN CC(C)C[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000307842797 658227224 /nfs/dbraw/zinc/22/72/24/658227224.db2.gz LIINANKXBKUSFZ-QWHCGFSZSA-N 0 0 302.440 0.658 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)CSC(C)(C)C)CC1 ZINC000078286568 658390002 /nfs/dbraw/zinc/39/00/02/658390002.db2.gz HUUKIJRDACXEBE-UHFFFAOYSA-N 0 0 301.456 0.798 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000179271164 658441658 /nfs/dbraw/zinc/44/16/58/658441658.db2.gz QLUQWQRYTAGIRK-CYBMUJFWSA-N 0 0 317.345 0.859 10 0 DCAERN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(F)cc1 ZINC000724549217 658450475 /nfs/dbraw/zinc/45/04/75/658450475.db2.gz YPIVCSDYFFNHJL-XWIASGKRSA-N 0 0 301.339 0.908 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC2(C1)OCCO2 ZINC000255050815 658515649 /nfs/dbraw/zinc/51/56/49/658515649.db2.gz MOWLOLHOPPJREO-LBPRGKRZSA-N 0 0 320.393 0.663 10 0 DCAERN C[C@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@H](C)O1 ZINC000891394605 658672690 /nfs/dbraw/zinc/67/26/90/658672690.db2.gz WYGAQTDVBLQRFI-YUMQZZPRSA-N 0 0 305.787 0.996 10 0 DCAERN COCCCCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255543576 658675249 /nfs/dbraw/zinc/67/52/49/658675249.db2.gz WITFSWQSDUABIK-FPLPWBNLSA-N 0 0 310.350 0.457 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCOC3(CCC3)C2)C1=O ZINC000888076006 658707536 /nfs/dbraw/zinc/70/75/36/658707536.db2.gz MVPPSDWFGCSFEQ-CYBMUJFWSA-N 0 0 310.394 0.795 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079451 658732612 /nfs/dbraw/zinc/73/26/12/658732612.db2.gz LUOBWKUUVGXJJL-OUCADQQQSA-N 0 0 319.365 0.103 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccnc(Cl)c1 ZINC000725759726 658759936 /nfs/dbraw/zinc/75/99/36/658759936.db2.gz FAELXZNIAPGAEM-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)C(C)(C)O ZINC000394028997 659091248 /nfs/dbraw/zinc/09/12/48/659091248.db2.gz JDYPLNUOIYFBFE-MRVPVSSYSA-N 0 0 317.183 0.886 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@H]1C ZINC000187808358 659105215 /nfs/dbraw/zinc/10/52/15/659105215.db2.gz GOIFLOMPCNRVJW-NQBHXWOUSA-N 0 0 306.366 0.646 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313687332 659425408 /nfs/dbraw/zinc/42/54/08/659425408.db2.gz OGWABJKRXREASY-ZDUSSCGKSA-N 0 0 300.380 0.085 10 0 DCAERN O=C(/C=C/c1ccc(Br)o1)N1C[C@H](O)[C@@H](O)C1 ZINC000236570118 661373377 /nfs/dbraw/zinc/37/33/77/661373377.db2.gz VTSQFPUKNXMWLI-WIYOPTIVSA-N 0 0 302.124 0.619 10 0 DCAERN C[C@@H](O)CNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)on1 ZINC000222729772 661628447 /nfs/dbraw/zinc/62/84/47/661628447.db2.gz HOTRXHNELWUWJX-SECBINFHSA-N 0 0 324.358 0.856 10 0 DCAERN CCN(CC(=O)OC)C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000726503793 661659483 /nfs/dbraw/zinc/65/94/83/661659483.db2.gz ROODTGWWLMZUGG-AWEZNQCLSA-N 0 0 304.346 0.986 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000182425420 665808658 /nfs/dbraw/zinc/80/86/58/665808658.db2.gz XKBWBLOASBQDLQ-GFCCVEGCSA-N 0 0 321.377 0.739 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccccc1 ZINC000049084769 662034308 /nfs/dbraw/zinc/03/43/08/662034308.db2.gz NJVOBFCTNKHQBV-AWEZNQCLSA-N 0 0 304.346 0.857 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)NCC2(C)OCCCO2)c1 ZINC000192222384 662132403 /nfs/dbraw/zinc/13/24/03/662132403.db2.gz HFFIPXXDZPGYKQ-UHFFFAOYSA-N 0 0 317.411 0.971 10 0 DCAERN Cc1cc(N2CCOC[C@H]2CO)n2nc(C(F)(F)F)nc2n1 ZINC000895936219 662230815 /nfs/dbraw/zinc/23/08/15/662230815.db2.gz QPSKQAMTPQIFLZ-MRVPVSSYSA-N 0 0 317.271 0.649 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000179053768 662371425 /nfs/dbraw/zinc/37/14/25/662371425.db2.gz UABYLQHDPIMBCO-ZIAGYGMSSA-N 0 0 308.403 0.628 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000728708789 662413165 /nfs/dbraw/zinc/41/31/65/662413165.db2.gz HFAWEJCBXXSLAW-UHFFFAOYSA-N 0 0 311.382 0.940 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000728709483 662413175 /nfs/dbraw/zinc/41/31/75/662413175.db2.gz WCPXUFOKDGYAMT-CYBMUJFWSA-N 0 0 319.361 0.602 10 0 DCAERN Cc1nc(NCCN2CCOCC2)c2c(n1)N[C@H](C)C(=O)N2 ZINC000224021229 662579653 /nfs/dbraw/zinc/57/96/53/662579653.db2.gz HDZIDTIXMJHUCR-SECBINFHSA-N 0 0 306.370 0.282 10 0 DCAERN CCc1noc(NC(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)n1 ZINC000262978703 662609864 /nfs/dbraw/zinc/60/98/64/662609864.db2.gz BQILEAWBZNFCSV-UHFFFAOYSA-N 0 0 311.342 0.691 10 0 DCAERN Cc1nc(C)c(CC(=O)O[C@@H](C(=O)N(C)C)C(C)C)c(=O)[nH]1 ZINC000729704041 662907745 /nfs/dbraw/zinc/90/77/45/662907745.db2.gz MZEMHDSPOYSWEQ-CYBMUJFWSA-N 0 0 309.366 0.998 10 0 DCAERN O=C(NCCCn1ccnn1)c1cnn(-c2ccc(F)cc2)n1 ZINC000182910912 665931352 /nfs/dbraw/zinc/93/13/52/665931352.db2.gz SVUOPVDGYIHBAM-UHFFFAOYSA-N 0 0 315.312 0.818 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000900869792 663291532 /nfs/dbraw/zinc/29/15/32/663291532.db2.gz GJHSCPGQWXHZPC-JSGCOSHPSA-N 0 0 306.362 0.565 10 0 DCAERN COC(=O)C[C@@]1(NC(=O)c2ccnc3[nH]c(C)nc32)CCOC1 ZINC000436119316 663416825 /nfs/dbraw/zinc/41/68/25/663416825.db2.gz SBZXLAHOIMKOJD-HNNXBMFYSA-N 0 0 318.333 0.718 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCCC[C@@H]1CC ZINC000031475046 663587639 /nfs/dbraw/zinc/58/76/39/663587639.db2.gz URSXLJUKZJFNPE-HOTGVXAUSA-N 0 0 317.433 0.756 10 0 DCAERN COC(=O)CC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000906833623 663645915 /nfs/dbraw/zinc/64/59/15/663645915.db2.gz POACLUDLLUDUEH-SECBINFHSA-N 0 0 310.354 0.565 10 0 DCAERN CN(C)c1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)ccn1 ZINC000909162508 663784921 /nfs/dbraw/zinc/78/49/21/663784921.db2.gz WEWYNMANSCAGHK-YRGRVCCFSA-N 0 0 301.350 0.448 10 0 DCAERN CCO[C@@]1(C(=O)NCc2nnc3ccc(C)cn32)CCOC1 ZINC000911074664 663979379 /nfs/dbraw/zinc/97/93/79/663979379.db2.gz HTNDXHLNROIYJI-HNNXBMFYSA-N 0 0 304.350 0.850 10 0 DCAERN COCC1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 ZINC000911965494 664128075 /nfs/dbraw/zinc/12/80/75/664128075.db2.gz NDHKUGSZXDIOLE-RYUDHWBXSA-N 0 0 314.382 0.462 10 0 DCAERN O=C(NC1CC1)c1ccc(C(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912419473 664173879 /nfs/dbraw/zinc/17/38/79/664173879.db2.gz UYMLDPCCQHQSDQ-AWEZNQCLSA-N 0 0 304.346 0.412 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCOC[C@H]1CO ZINC000912421784 664174304 /nfs/dbraw/zinc/17/43/04/664174304.db2.gz SAKGQGHDYRECGY-GFCCVEGCSA-N 0 0 306.362 0.889 10 0 DCAERN CN(C)C(=O)C1CCN(Cn2c3cnccc3n(C)c2=O)CC1 ZINC000151062728 664259257 /nfs/dbraw/zinc/25/92/57/664259257.db2.gz BFGGJPBVHCTNGB-UHFFFAOYSA-N 0 0 317.393 0.493 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NC[C@](C)(O)CCC(C)C ZINC000151413890 664330163 /nfs/dbraw/zinc/33/01/63/664330163.db2.gz GDFMRGVIHMPOON-CYBMUJFWSA-N 0 0 308.444 0.908 10 0 DCAERN CC(=O)N1CCc2ccc(S(=O)(=O)NC3(CO)CC3)cc21 ZINC000164233533 664369830 /nfs/dbraw/zinc/36/98/30/664369830.db2.gz PKNGUOHMCKCDIB-UHFFFAOYSA-N 0 0 310.375 0.399 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000733899883 666824387 /nfs/dbraw/zinc/82/43/87/666824387.db2.gz QHQPNXUVGQDTQD-SFHVURJKSA-N 0 0 319.433 0.738 10 0 DCAERN O=C1NC2(CCCCCCC2)C(=O)N1CN1CCNC(=O)CC1 ZINC000044781112 664370953 /nfs/dbraw/zinc/37/09/53/664370953.db2.gz JECKYGCUGYTGRP-UHFFFAOYSA-N 0 0 322.409 0.801 10 0 DCAERN COCCCn1cccc(C(=O)NCCC(=O)N(C)C)c1=O ZINC000223296960 664406447 /nfs/dbraw/zinc/40/64/47/664406447.db2.gz DMVZARVTWWRWBM-UHFFFAOYSA-N 0 0 309.366 0.093 10 0 DCAERN CCN1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223858831 664425021 /nfs/dbraw/zinc/42/50/21/664425021.db2.gz BFZAJDGIGCKIJZ-UHFFFAOYSA-N 0 0 304.398 0.632 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn3c(c2F)OCC3)C1 ZINC000223849065 664425108 /nfs/dbraw/zinc/42/51/08/664425108.db2.gz SOOPIYFUFIKQDC-SECBINFHSA-N 0 0 311.313 0.830 10 0 DCAERN C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000075392155 664433458 /nfs/dbraw/zinc/43/34/58/664433458.db2.gz UVVHMAJHQDXSCV-UHFFFAOYSA-N 0 0 304.371 0.646 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000735098787 666952409 /nfs/dbraw/zinc/95/24/09/666952409.db2.gz BQVMDWNNDIFWLP-NRFANRHFSA-N 0 0 321.443 0.921 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(Br)c(O)c1 ZINC000227030801 664524779 /nfs/dbraw/zinc/52/47/79/664524779.db2.gz ZXNAUFOXXCCANN-UHFFFAOYSA-N 0 0 302.128 0.553 10 0 DCAERN CC(C)n1cnnc1SCC(=O)N1CCOC[C@@H]1CO ZINC000168621089 664526941 /nfs/dbraw/zinc/52/69/41/664526941.db2.gz AAXCLIRPNPRRKN-JTQLQIEISA-N 0 0 300.384 0.171 10 0 DCAERN CCN1CCC[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000060416626 664545258 /nfs/dbraw/zinc/54/52/58/664545258.db2.gz DCJQLNMGUCTUBO-NWDGAFQWSA-N 0 0 320.480 0.507 10 0 DCAERN Cn1cnnc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561644 664610144 /nfs/dbraw/zinc/61/01/44/664610144.db2.gz PXLCVBWMVJAGBC-HNNXBMFYSA-N 0 0 301.394 0.666 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)N(C)C(C)C ZINC000171767954 664612488 /nfs/dbraw/zinc/61/24/88/664612488.db2.gz NQSIGJIKTWJISG-GFCCVEGCSA-N 0 0 305.444 0.904 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)c1ccc(F)cc1 ZINC000172401827 664621002 /nfs/dbraw/zinc/62/10/02/664621002.db2.gz VJJPUTOGESJAIO-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN O=c1oc2ccccc2n1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172961935 664626010 /nfs/dbraw/zinc/62/60/10/664626010.db2.gz IJADQZXJUDIGGU-CYBMUJFWSA-N 0 0 303.362 0.959 10 0 DCAERN O=C(CN1CSCC1=O)Nc1cnc(Br)cn1 ZINC000174061026 664634856 /nfs/dbraw/zinc/63/48/56/664634856.db2.gz QFNZQVPCKIRBLF-UHFFFAOYSA-N 0 0 317.168 0.711 10 0 DCAERN O=C(NC1CCN(CC(F)(F)F)CC1)[C@@H]1CSC(=O)N1 ZINC000174329414 664638635 /nfs/dbraw/zinc/63/86/35/664638635.db2.gz GLNHCWKYFJHBDD-QMMMGPOBSA-N 0 0 311.329 0.954 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000730310192 664683129 /nfs/dbraw/zinc/68/31/29/664683129.db2.gz JYESTEKWYJPFDN-NSHDSACASA-N 0 0 300.380 0.464 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NC1CCCCC1 ZINC000730310519 664683528 /nfs/dbraw/zinc/68/35/28/664683528.db2.gz JTBBNYUOLPPVRM-LBPRGKRZSA-N 0 0 314.407 0.900 10 0 DCAERN C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C1CCOCC1 ZINC000151683586 664711450 /nfs/dbraw/zinc/71/14/50/664711450.db2.gz HBBMISOHEROGDG-JTQLQIEISA-N 0 0 320.349 0.488 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CN3C[C@@H](C)CC3=O)CC2)n1 ZINC000152632197 664767071 /nfs/dbraw/zinc/76/70/71/664767071.db2.gz KOGUOVMXADLJOW-RYUDHWBXSA-N 0 0 307.398 0.883 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)COc1ccccc1 ZINC000741421498 664837165 /nfs/dbraw/zinc/83/71/65/664837165.db2.gz QQYXCUWGIWMJTL-LAJNKCICSA-N 0 0 314.407 0.494 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000741423077 664841877 /nfs/dbraw/zinc/84/18/77/664841877.db2.gz RDZINAONHHHTDF-FKIZINRSSA-N 0 0 302.371 0.927 10 0 DCAERN C[C@@H](OC(=O)Cn1ncn(C)c1=O)c1nc2ccccc2[nH]1 ZINC000154064204 665072562 /nfs/dbraw/zinc/07/25/62/665072562.db2.gz XOSDMNRQJDGNSO-SECBINFHSA-N 0 0 301.306 0.763 10 0 DCAERN CN(C)c1cc(C(=O)N2CCO[C@H](C(N)=O)C2)cc(Cl)n1 ZINC000733142897 665076450 /nfs/dbraw/zinc/07/64/50/665076450.db2.gz XGOCUNWKEWXZMA-VIFPVBQESA-N 0 0 312.757 0.127 10 0 DCAERN C[C@@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000068115840 665398250 /nfs/dbraw/zinc/39/82/50/665398250.db2.gz JFPLMLIEJRWJFC-KCJUWKMLSA-N 0 0 316.354 0.770 10 0 DCAERN Cc1cccnc1/C=C/C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000183367775 666034924 /nfs/dbraw/zinc/03/49/24/666034924.db2.gz NNFCDBBNMVPRFN-SBDDDAINSA-N 0 0 323.418 0.943 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](CCO)CC1 ZINC000422058668 666275868 /nfs/dbraw/zinc/27/58/68/666275868.db2.gz QKPJDHQPHBLVOS-STQMWFEESA-N 0 0 300.424 0.919 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000185087568 666327957 /nfs/dbraw/zinc/32/79/57/666327957.db2.gz CLKDOGWHNXPLGA-ZDUSSCGKSA-N 0 0 300.305 0.445 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1ccnn1C ZINC000186620312 666554915 /nfs/dbraw/zinc/55/49/15/666554915.db2.gz GVSAHHZAWJYZAP-LBPRGKRZSA-N 0 0 317.397 0.951 10 0 DCAERN CCc1nc(COC(=O)COc2ccccc2C(N)=O)no1 ZINC000733423448 666640884 /nfs/dbraw/zinc/64/08/84/666640884.db2.gz JGHTWVQHFLRBIR-UHFFFAOYSA-N 0 0 305.290 0.853 10 0 DCAERN CCCCc1noc([C@@H](C)OC(=O)CN2CCC(=O)NC2=O)n1 ZINC000733560378 666765829 /nfs/dbraw/zinc/76/58/29/666765829.db2.gz AVDRCGNQNSMDBB-SECBINFHSA-N 0 0 324.337 0.958 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC2(C(N)=O)CCCC2)cn1 ZINC000733762443 666816667 /nfs/dbraw/zinc/81/66/67/666816667.db2.gz OSXOWKGQITYYAC-UHFFFAOYSA-N 0 0 306.366 0.735 10 0 DCAERN C[C@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CCC1=O ZINC000701202320 666818507 /nfs/dbraw/zinc/81/85/07/666818507.db2.gz WCJBGVSPPKBJEU-UWVGGRQHSA-N 0 0 305.421 0.344 10 0 DCAERN C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1=O ZINC000701205237 666818701 /nfs/dbraw/zinc/81/87/01/666818701.db2.gz CKLSIESXXBSKFU-GMTAPVOTSA-N 0 0 319.448 0.590 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880003 666823790 /nfs/dbraw/zinc/82/37/90/666823790.db2.gz RSAVJUUUFJQTFJ-GTJPDFRWSA-N 0 0 308.403 0.924 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880005 666823881 /nfs/dbraw/zinc/82/38/81/666823881.db2.gz RSAVJUUUFJQTFJ-LAJNKCICSA-N 0 0 308.403 0.924 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000733961013 666832211 /nfs/dbraw/zinc/83/22/11/666832211.db2.gz QAYULKCRHYRLDC-SQFXPLBJSA-N 0 0 314.329 0.282 10 0 DCAERN CC[S@](=O)CCNC(=O)CCn1cc(Br)cn1 ZINC000733962317 666832372 /nfs/dbraw/zinc/83/23/72/666832372.db2.gz LFBGYUIMHBFTRM-KRWDZBQOSA-N 0 0 322.228 0.921 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000733963857 666832853 /nfs/dbraw/zinc/83/28/53/666832853.db2.gz VONIWDMDVKTISR-QFIPXVFZSA-N 0 0 321.402 0.590 10 0 DCAERN CN(C)c1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc(Cl)n1 ZINC000733971539 666833548 /nfs/dbraw/zinc/83/35/48/666833548.db2.gz LNSNNRCLDVDDMH-SECBINFHSA-N 0 0 311.773 0.684 10 0 DCAERN CC(=O)N(c1nc(COC(=O)[C@@H]2CNC(=O)N2)cs1)C1CC1 ZINC000734189595 666855417 /nfs/dbraw/zinc/85/54/17/666855417.db2.gz QDBUVVBWTNGHOK-JTQLQIEISA-N 0 0 324.362 0.383 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cccnn2)C1 ZINC000701795608 666877450 /nfs/dbraw/zinc/87/74/50/666877450.db2.gz NEBGTNARGDJIQY-JQWIXIFHSA-N 0 0 322.365 0.434 10 0 DCAERN O=C(NCCOC[C@H]1CCCO1)NC[C@H](O)C(F)(F)F ZINC000734677200 666901197 /nfs/dbraw/zinc/90/11/97/666901197.db2.gz MCJBOFHMUSMQRS-BDAKNGLRSA-N 0 0 300.277 0.404 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000702362566 666945858 /nfs/dbraw/zinc/94/58/58/666945858.db2.gz DWOFUSFZWOFOOU-YOEHRIQHSA-N 0 0 319.405 0.769 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC1CCN(CC(F)F)CC1 ZINC000735101147 666952760 /nfs/dbraw/zinc/95/27/60/666952760.db2.gz YGCCIJGCSSTQTM-HXUWFJFHSA-N 0 0 311.398 0.784 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000735110602 666954864 /nfs/dbraw/zinc/95/48/64/666954864.db2.gz NRDBXDSTFVKVDZ-OAQYLSRUSA-N 0 0 317.455 0.703 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(F)ccc1C ZINC000735200923 666968456 /nfs/dbraw/zinc/96/84/56/666968456.db2.gz SZDJDVQCLQIWSZ-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN CSCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702790093 666994263 /nfs/dbraw/zinc/99/42/63/666994263.db2.gz OGWUGNRIDPBQGZ-NXEZZACHSA-N 0 0 304.412 0.693 10 0 DCAERN CCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811295 666998970 /nfs/dbraw/zinc/99/89/70/666998970.db2.gz GBGLNJFFAFMXHB-QWRGUYRKSA-N 0 0 302.371 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000702818299 666999506 /nfs/dbraw/zinc/99/95/06/666999506.db2.gz VSZZSTKOFMUZSY-ONGXEEELSA-N 0 0 310.354 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 ZINC000702819923 667000580 /nfs/dbraw/zinc/00/05/80/667000580.db2.gz RSMGWXGELUTVIU-RYUDHWBXSA-N 0 0 324.381 0.227 10 0 DCAERN CCS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702841436 667010103 /nfs/dbraw/zinc/01/01/03/667010103.db2.gz GPSADNBWPBSKIU-UWVGGRQHSA-N 0 0 308.400 0.154 10 0 DCAERN CCCS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702842700 667010181 /nfs/dbraw/zinc/01/01/81/667010181.db2.gz OXIQZJIITGDWOR-QWRGUYRKSA-N 0 0 322.427 0.544 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1F ZINC000703178616 667064740 /nfs/dbraw/zinc/06/47/40/667064740.db2.gz KLUMZTSDPLAFSN-RNFRBKRXSA-N 0 0 321.761 0.820 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2coc(C3CC3)n2)cn1 ZINC000862922831 667092564 /nfs/dbraw/zinc/09/25/64/667092564.db2.gz ITFDHDZABIQUQD-WCQYABFASA-N 0 0 318.333 0.862 10 0 DCAERN C[C@@H]1CN(Cn2cc(Br)cn2)C[C@H](C(N)=O)O1 ZINC000120306432 667295462 /nfs/dbraw/zinc/29/54/62/667295462.db2.gz RAMFYJRDEXCASL-VXNVDRBHSA-N 0 0 303.160 0.178 10 0 DCAERN Cc1nc(C(=O)NC[C@@H](O)c2cccc(F)c2)c(=O)[nH]c1C ZINC000120575443 667327777 /nfs/dbraw/zinc/32/77/77/667327777.db2.gz VCWPRTYEURJBQF-GFCCVEGCSA-N 0 0 305.309 0.989 10 0 DCAERN C[C@]12CCCC[C@H]1CN2C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000707132526 667433712 /nfs/dbraw/zinc/43/37/12/667433712.db2.gz RHYOARRKHMPQQN-SCRDCRAPSA-N 0 0 300.424 0.554 10 0 DCAERN C[C@]12CCCC[C@H]1CN2C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000707132524 667433725 /nfs/dbraw/zinc/43/37/25/667433725.db2.gz RHYOARRKHMPQQN-OBJOEFQTSA-N 0 0 300.424 0.554 10 0 DCAERN O=C(CCCNS(=O)(=O)C1CCC(=O)CC1)NC1CC1 ZINC000708220619 667442385 /nfs/dbraw/zinc/44/23/85/667442385.db2.gz GMINHNMOBPLWFW-UHFFFAOYSA-N 0 0 302.396 0.476 10 0 DCAERN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](CO)C1 ZINC000710042743 667445977 /nfs/dbraw/zinc/44/59/77/667445977.db2.gz PDMGSKKHPYYRAL-YPMLDQLKSA-N 0 0 312.457 0.832 10 0 DCAERN COc1cccc([C@H]2CN(Cn3ncn(C)c3=O)CCO2)c1 ZINC000133812162 667483176 /nfs/dbraw/zinc/48/31/76/667483176.db2.gz SBJLAWSURXZORZ-CQSZACIVSA-N 0 0 304.350 0.621 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000134272665 667528454 /nfs/dbraw/zinc/52/84/54/667528454.db2.gz XYBSJAJPNYZRHD-XVKPBYJWSA-N 0 0 318.782 0.895 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)COc1ccc(Br)cc1 ZINC000717303530 667543818 /nfs/dbraw/zinc/54/38/18/667543818.db2.gz GUGBEXMTBZYETG-GZMMTYOYSA-N 0 0 318.167 0.686 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(CN2CC(=O)N(CC)C2=O)C1 ZINC000122194205 667578205 /nfs/dbraw/zinc/57/82/05/667578205.db2.gz HBGSQJPUHHKICF-LBPRGKRZSA-N 0 0 310.398 0.609 10 0 DCAERN CC(=O)CCN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000135588718 667612875 /nfs/dbraw/zinc/61/28/75/667612875.db2.gz JVLBFSSUCPIRIA-UHFFFAOYSA-N 0 0 317.345 0.517 10 0 DCAERN Cc1ccc(Br)c(N2CC[C@](O)(C(N)=O)C2)n1 ZINC000712331579 667627177 /nfs/dbraw/zinc/62/71/77/667627177.db2.gz BDZDWSGRYJHWPR-LLVKDONJSA-N 0 0 300.156 0.579 10 0 DCAERN COC(=O)c1ccc(=O)n(CN(C[C@H](C)C(=O)OC)C2CC2)n1 ZINC000739854406 667721140 /nfs/dbraw/zinc/72/11/40/667721140.db2.gz UGVKEYFOMSKVHJ-JTQLQIEISA-N 0 0 323.349 0.261 10 0 DCAERN CC(=O)N1C[C@H](NC(=O)c2nnc[nH]2)CC[C@H]1C(F)(F)F ZINC000886051587 667727262 /nfs/dbraw/zinc/72/72/62/667727262.db2.gz HWTUFHVVONKEPT-SFYZADRCSA-N 0 0 305.260 0.476 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2cnccn2)C1=O ZINC000886074733 667728889 /nfs/dbraw/zinc/72/88/89/667728889.db2.gz RUTPROHRWZVDKP-ZDUSSCGKSA-N 0 0 306.366 0.463 10 0 DCAERN CCn1ncc(CNC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)n1 ZINC000886074600 667729016 /nfs/dbraw/zinc/72/90/16/667729016.db2.gz FDLBBIXTGSTYAY-GJZGRUSLSA-N 0 0 319.413 0.193 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@H](n3ccnn3)C2)cn1 ZINC000886075681 667729165 /nfs/dbraw/zinc/72/91/65/667729165.db2.gz VCCPUWNHWUMRGT-JTQLQIEISA-N 0 0 303.326 0.946 10 0 DCAERN O=C([O-])[C@@]1([NH+]2CCN(c3ccnc(C4CC4)n3)CC2)CCOC1 ZINC000886094763 667731395 /nfs/dbraw/zinc/73/13/95/667731395.db2.gz DPKDIKWCFUWDBP-MRXNPFEDSA-N 0 0 318.377 0.720 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)Cc1cccc(Br)c1 ZINC000717379795 667735886 /nfs/dbraw/zinc/73/58/86/667735886.db2.gz OCKIRBLQURAXER-KCJUWKMLSA-N 0 0 302.168 0.850 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCOCC1CCOCC1 ZINC000740917764 667754377 /nfs/dbraw/zinc/75/43/77/667754377.db2.gz UNRJWOBSSVYPSV-NRFANRHFSA-N 0 0 320.455 0.888 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000741422739 667771039 /nfs/dbraw/zinc/77/10/39/667771039.db2.gz YQXYNKNWWVYUES-LJQANCHMSA-N 0 0 318.420 0.980 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000741421524 667771137 /nfs/dbraw/zinc/77/11/37/667771137.db2.gz BLKWIULNUHZMKA-QFIPXVFZSA-N 0 0 322.394 0.861 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@H](O)[C@H](C)O)c1 ZINC000717412505 667789501 /nfs/dbraw/zinc/78/95/01/667789501.db2.gz KUAAPGSRFWFMKM-CPCISQLKSA-N 0 0 318.167 0.929 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](O)[C@@H](C)O)cc1Br ZINC000717412381 667789504 /nfs/dbraw/zinc/78/95/04/667789504.db2.gz JKOXUBIIRBTJOZ-GMSGAONNSA-N 0 0 318.167 0.929 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn(CC2CC2)c1 ZINC000886988635 667827580 /nfs/dbraw/zinc/82/75/80/667827580.db2.gz NZBWBYHTNOGTPL-ZIAGYGMSSA-N 0 0 305.378 0.953 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000300637995 667888096 /nfs/dbraw/zinc/88/80/96/667888096.db2.gz CSPBZZVCFCBFDY-SDDRHHMPSA-N 0 0 320.480 0.554 10 0 DCAERN C[C@@H]1CCC[C@H](CNC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300680522 667888235 /nfs/dbraw/zinc/88/82/35/667888235.db2.gz HRMQMGHAZZLVHS-AGIUHOORSA-N 0 0 302.440 0.706 10 0 DCAERN Cn1ncnc1N1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000828909924 668140352 /nfs/dbraw/zinc/14/03/52/668140352.db2.gz OTZZSOXSDHAWPF-LLVKDONJSA-N 0 0 315.381 0.905 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(Cl)s1 ZINC000125100200 668205831 /nfs/dbraw/zinc/20/58/31/668205831.db2.gz OUXKACHWWFRDNW-MRVPVSSYSA-N 0 0 322.839 0.794 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126459685 668599391 /nfs/dbraw/zinc/59/93/91/668599391.db2.gz UDAJGJXPADLEHM-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN CN(Cc1cccc(F)c1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126472954 668600982 /nfs/dbraw/zinc/60/09/82/668600982.db2.gz XREQBZCMNQHHRP-ZDUSSCGKSA-N 0 0 314.382 0.561 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c(C)c1O ZINC000126540994 668622143 /nfs/dbraw/zinc/62/21/43/668622143.db2.gz DDOGKPFTQFDBBW-LLVKDONJSA-N 0 0 312.391 0.724 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cccc(F)c1F ZINC000126625940 668634483 /nfs/dbraw/zinc/63/44/83/668634483.db2.gz QMXQEMOHHLCNMM-QMMMGPOBSA-N 0 0 304.318 0.680 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(F)c(F)c1 ZINC000126698654 668646018 /nfs/dbraw/zinc/64/60/18/668646018.db2.gz NGMFCPYMPCSIOC-SNVBAGLBSA-N 0 0 318.345 0.358 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cc(F)c(F)cc1F ZINC000126739943 668653141 /nfs/dbraw/zinc/65/31/41/668653141.db2.gz ZSTHHJUDZPZLTQ-ZETCQYMHSA-N 0 0 322.308 0.819 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000127182926 668738034 /nfs/dbraw/zinc/73/80/34/668738034.db2.gz NOKYHHRAKAPNNO-KGLIPLIRSA-N 0 0 308.403 0.800 10 0 DCAERN CC(=O)N1CCC(C(=O)OCCN2CCSCC2)CC1 ZINC000127880541 669069769 /nfs/dbraw/zinc/06/97/69/669069769.db2.gz NXPPCXBISDEVRB-UHFFFAOYSA-N 0 0 300.424 0.837 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC=C2C(=O)NC(=O)c3ccccc32)C1 ZINC000130246316 669599549 /nfs/dbraw/zinc/59/95/49/669599549.db2.gz CQFDORWCTXBPNC-YMKFKMRUSA-N 0 0 313.357 0.931 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)/C=C/c2ccccc2)O1 ZINC000131499517 669670510 /nfs/dbraw/zinc/67/05/10/669670510.db2.gz JBPFKIYLNRXFGH-VSONXHSHSA-N 0 0 310.375 0.610 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)Cn1nnc2c(cnn2C)c1=O ZINC000132584965 669733110 /nfs/dbraw/zinc/73/31/10/669733110.db2.gz AQQKUKOHWFGXPD-LBPRGKRZSA-N 0 0 320.397 0.764 10 0 DCAERN CCCNC(=O)C1CCN(Cn2cc(C(=O)OC)nn2)CC1 ZINC000042093147 669826258 /nfs/dbraw/zinc/82/62/58/669826258.db2.gz XCNDILJNDMXBGW-UHFFFAOYSA-N 0 0 309.370 0.260 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cn1 ZINC000158288166 669924152 /nfs/dbraw/zinc/92/41/52/669924152.db2.gz QIFGMKHUQBCUEG-YPMHNXCESA-N 0 0 308.382 0.899 10 0 DCAERN CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000159147396 669933958 /nfs/dbraw/zinc/93/39/58/669933958.db2.gz VWVQHQUCKNIEIV-LLVKDONJSA-N 0 0 304.412 0.991 10 0 DCAERN C[C@H](CNC(=O)N[C@@H](C)c1nnnn1C1CC1)N1CCOCC1 ZINC000190979263 669960409 /nfs/dbraw/zinc/96/04/09/669960409.db2.gz ATDYIYYGLQAQQT-MNOVXSKESA-N 0 0 323.401 0.089 10 0 DCAERN Cn1c(Cl)cnc1COC(=O)CCC(=O)N1CCOCC1 ZINC000078344911 670006188 /nfs/dbraw/zinc/00/61/88/670006188.db2.gz NAPNVBMIVMYDSN-UHFFFAOYSA-N 0 0 315.757 0.756 10 0 DCAERN CC(C)COCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000191471511 670033346 /nfs/dbraw/zinc/03/33/46/670033346.db2.gz DKSAPDHZMIFYKI-UHFFFAOYSA-N 0 0 320.345 0.906 10 0 DCAERN C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1nnnn1C1CC1 ZINC000188881127 670061055 /nfs/dbraw/zinc/06/10/55/670061055.db2.gz ZTKSMKBUNBAHIP-VIFPVBQESA-N 0 0 323.401 0.625 10 0 DCAERN Cn1cc(CN[C@H]2CCS(=O)(=O)C2)c(Br)n1 ZINC000712446283 670149169 /nfs/dbraw/zinc/14/91/69/670149169.db2.gz DJIZQCMIWYAXJT-QMMMGPOBSA-N 0 0 308.201 0.459 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000713250269 670155170 /nfs/dbraw/zinc/15/51/70/670155170.db2.gz HAVUJVIONCCNRX-XBFCOCLRSA-N 0 0 306.362 0.865 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cn(C)nc1Br ZINC000713822218 670170253 /nfs/dbraw/zinc/17/02/53/670170253.db2.gz QKPKPCJWNUPKFR-BDAKNGLRSA-N 0 0 318.171 0.291 10 0 DCAERN COC[C@@H](C)OC[C@H](O)CN(C)CC(C)(C)S(C)(=O)=O ZINC000713967682 670172333 /nfs/dbraw/zinc/17/23/33/670172333.db2.gz VWLXEYYSJFCCBC-VXGBXAGGSA-N 0 0 311.444 0.154 10 0 DCAERN O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714258092 670182632 /nfs/dbraw/zinc/18/26/32/670182632.db2.gz MVSOEARCLJRWCA-UHFFFAOYSA-N 0 0 317.798 0.149 10 0 DCAERN Cc1scc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c1C ZINC000714301453 670183299 /nfs/dbraw/zinc/18/32/99/670183299.db2.gz ILIFLYAPOISGDE-UHFFFAOYSA-N 0 0 303.409 0.245 10 0 DCAERN O=C(C[C@H]1CCCC1(F)F)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714305619 670183979 /nfs/dbraw/zinc/18/39/79/670183979.db2.gz UQMOXXGZUFGAKS-SECBINFHSA-N 0 0 311.354 0.078 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccc(Br)o2)C1 ZINC000714412605 670186046 /nfs/dbraw/zinc/18/60/46/670186046.db2.gz JIEDZJLQJKRNIJ-UHFFFAOYSA-N 0 0 304.096 0.402 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@@H]1CCC(=O)N1 ZINC000714647523 670192475 /nfs/dbraw/zinc/19/24/75/670192475.db2.gz PSFPDSGWCZAHDU-YFKPBYRVSA-N 0 0 304.169 0.800 10 0 DCAERN O=C(Cc1ccccc1)N1CCN(CN2CCOC2=S)CC1 ZINC000193395338 670277609 /nfs/dbraw/zinc/27/76/09/670277609.db2.gz ALCMYYIIVFIMMR-UHFFFAOYSA-N 0 0 319.430 0.948 10 0 DCAERN Cn1c(=O)ccn(CC(=O)OCCOC2CCCCC2)c1=O ZINC000194223152 670413592 /nfs/dbraw/zinc/41/35/92/670413592.db2.gz LZZLLYHAHPGHCA-UHFFFAOYSA-N 0 0 310.350 0.440 10 0 DCAERN CCNC(=O)C1CN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)C1 ZINC000195298454 670480374 /nfs/dbraw/zinc/48/03/74/670480374.db2.gz XVRYUAYZZZCJSX-SNVBAGLBSA-N 0 0 318.381 0.157 10 0 DCAERN CCCOCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000107413358 670646717 /nfs/dbraw/zinc/64/67/17/670646717.db2.gz HFPOSBHFKRJJEN-UHFFFAOYSA-N 0 0 306.318 0.660 10 0 DCAERN O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000109220348 670903697 /nfs/dbraw/zinc/90/36/97/670903697.db2.gz ULDCJMIKYPJROO-KBPBESRZSA-N 0 0 316.357 0.857 10 0 DCAERN CCn1nc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2)cc1C1CC1 ZINC000818121752 670975601 /nfs/dbraw/zinc/97/56/01/670975601.db2.gz HBSHDSLTFGYJDG-NSHDSACASA-N 0 0 315.381 0.791 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C(C)(C)C ZINC000818661474 671043046 /nfs/dbraw/zinc/04/30/46/671043046.db2.gz GFIHBLMYMGAGCV-CYBMUJFWSA-N 0 0 324.381 0.656 10 0 DCAERN COCCCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000397339779 1158097303 /nfs/dbraw/zinc/09/73/03/1158097303.db2.gz MFGKPQOMBMONNB-UHFFFAOYSA-N 0 0 304.368 0.734 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000102755733 671851872 /nfs/dbraw/zinc/85/18/72/671851872.db2.gz MIRFVKGIPRINNI-UHFFFAOYSA-N 0 0 317.411 0.803 10 0 DCAERN COC(=O)c1cn(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)nn1 ZINC000121490700 671908552 /nfs/dbraw/zinc/90/85/52/671908552.db2.gz WZBFPAATKNYNGB-YPMHNXCESA-N 0 0 304.354 0.802 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000395199508 685268441 /nfs/dbraw/zinc/26/84/41/685268441.db2.gz UZTYPGYTCXOPON-BDAKNGLRSA-N 0 0 307.803 0.855 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2cccnc2Cl)CCN1 ZINC000396741100 685270857 /nfs/dbraw/zinc/27/08/57/685270857.db2.gz QCMOSZHOUKBKGS-MRVPVSSYSA-N 0 0 303.771 0.682 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)CCN1 ZINC000396742155 685271052 /nfs/dbraw/zinc/27/10/52/685271052.db2.gz SDRXWWQQSMXZDI-ZETCQYMHSA-N 0 0 321.761 0.821 10 0 DCAERN CO[C@@]1(CNC(=O)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000720914272 685317124 /nfs/dbraw/zinc/31/71/24/685317124.db2.gz KCCWXGLMBQIFPL-CYBMUJFWSA-N 0 0 304.412 0.822 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000037840782 685055335 /nfs/dbraw/zinc/05/53/35/685055335.db2.gz RVYQCIWCROWGQB-OIBJUYFYSA-N 0 0 300.384 0.301 10 0 DCAERN NS(=O)(=O)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000040378201 685057598 /nfs/dbraw/zinc/05/75/98/685057598.db2.gz QKGJGLNXGQYFPN-MRVPVSSYSA-N 0 0 301.349 0.098 10 0 DCAERN C=CCNC(=O)NC(=O)COC(=O)[C@H](C)n1nc(C)cc1C ZINC000143684711 685128316 /nfs/dbraw/zinc/12/83/16/685128316.db2.gz GSYQWHCQYMBIKO-NSHDSACASA-N 0 0 308.338 0.616 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000172612264 685142664 /nfs/dbraw/zinc/14/26/64/685142664.db2.gz XMDHOFCYDIBOTB-SFYZADRCSA-N 0 0 320.802 0.396 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)N3CCO[C@H](C)C3)C2)no1 ZINC000195518066 685154931 /nfs/dbraw/zinc/15/49/31/685154931.db2.gz BIUWVRZKVHINPV-TZMCWYRMSA-N 0 0 322.409 0.880 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(CCOC)[C@@H](CC)C1 ZINC000247030656 685168577 /nfs/dbraw/zinc/16/85/77/685168577.db2.gz DDJFNIVFBVSXTF-AWEZNQCLSA-N 0 0 306.472 0.854 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000247232090 685170522 /nfs/dbraw/zinc/17/05/22/685170522.db2.gz ZJEGZDJFRAKDPM-QWHCGFSZSA-N 0 0 312.410 0.897 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CCC[C@@H](n3cc(C)cn3)C2)C1 ZINC000248449519 685175487 /nfs/dbraw/zinc/17/54/87/685175487.db2.gz XRUAOOTVPUZHKG-UONOGXRCSA-N 0 0 320.393 0.807 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCO[C@@]2(CCOC2)C1 ZINC000248907981 685177818 /nfs/dbraw/zinc/17/78/18/685177818.db2.gz BLSQJZTUMJREGP-IOASZLSFSA-N 0 0 306.362 0.386 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000250120814 685184872 /nfs/dbraw/zinc/18/48/72/685184872.db2.gz IRWPRFNINGDBLS-SCDSUCTJSA-N 0 0 316.361 0.687 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000252671447 685186990 /nfs/dbraw/zinc/18/69/90/685186990.db2.gz VUHWZIQZYYNTRB-KBMXLJTQSA-N 0 0 303.406 0.866 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000399052322 1157521379 /nfs/dbraw/zinc/52/13/79/1157521379.db2.gz LPDBRIIGBODNFQ-MRVPVSSYSA-N 0 0 300.355 0.975 10 0 DCAERN Cn1cc(Br)c(CNc2nn(C)cc2[N+](=O)[O-])n1 ZINC000393356799 1157762682 /nfs/dbraw/zinc/76/26/82/1157762682.db2.gz WZKQQBRGOIRROQ-UHFFFAOYSA-N 0 0 315.131 0.858 10 0 DCAERN CNC(=O)NCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000397412236 1158099012 /nfs/dbraw/zinc/09/90/12/1158099012.db2.gz PJJBRYRIOQUCAX-UHFFFAOYSA-N 0 0 300.702 0.907 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC(n2ccnn2)CC1 ZINC000585321787 1158110834 /nfs/dbraw/zinc/11/08/34/1158110834.db2.gz ZSZNKMSYNWUEOJ-UHFFFAOYSA-N 0 0 311.349 0.887 10 0 DCAERN C[C@H](CCCCO)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000398729239 1158130301 /nfs/dbraw/zinc/13/03/01/1158130301.db2.gz LTUCWLPTQJWANJ-LLVKDONJSA-N 0 0 306.428 0.325 10 0 DCAERN CN(CCO)C(=O)c1cc(I)ccc1N ZINC000308806732 1158187579 /nfs/dbraw/zinc/18/75/79/1158187579.db2.gz BAFUDFSIHWPYKB-UHFFFAOYSA-N 0 0 320.130 0.938 10 0 DCAERN CS(=O)(=O)CCC(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000047872927 1171639581 /nfs/dbraw/zinc/63/95/81/1171639581.db2.gz VGAIEJUBVJCZBQ-UHFFFAOYSA-N 0 0 311.363 0.589 10 0 DCAERN C#CCN(C(=S)NC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000054974975 1171862409 /nfs/dbraw/zinc/86/24/09/1171862409.db2.gz GPYKZWOEDSODNV-NWDGAFQWSA-N 0 0 316.448 0.162 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000068566038 1173791258 /nfs/dbraw/zinc/79/12/58/1173791258.db2.gz WJQUOZZCSAYUGX-UHFFFAOYSA-N 0 0 315.377 0.901 10 0 DCAERN CS(=O)(=O)CCN1CCN(C(=O)c2ccccc2F)CC1 ZINC000073985576 1173918550 /nfs/dbraw/zinc/91/85/50/1173918550.db2.gz IOZALSDLFZKORR-UHFFFAOYSA-N 0 0 314.382 0.628 10 0 DCAERN COC(=O)c1sc(N[C@H]2CCC(=O)NC2=O)nc1Cl ZINC000090019890 1175371009 /nfs/dbraw/zinc/37/10/09/1175371009.db2.gz PIKVAONJCNLWDY-BYPYZUCNSA-N 0 0 303.727 0.800 10 0 DCAERN Cn1nccc1CN1CCN(CC(=O)Nc2nncs2)CC1 ZINC000091073704 1175452398 /nfs/dbraw/zinc/45/23/98/1175452398.db2.gz QBNXAYRWMUXIPL-UHFFFAOYSA-N 0 0 321.410 0.028 10 0 DCAERN CCN(CC(N)=O)C(=O)c1ccc(Br)cc1N ZINC000231817136 1180558147 /nfs/dbraw/zinc/55/81/47/1180558147.db2.gz NCNNTWGGLMOJNH-UHFFFAOYSA-N 0 0 300.156 0.979 10 0 DCAERN O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000157184392 1180560285 /nfs/dbraw/zinc/56/02/85/1180560285.db2.gz KUSUQYHNBOTHKR-MXWKQRLJSA-N 0 0 315.333 0.895 10 0 DCAERN O=C(Cc1nc2ncccn2n1)Nc1cnn(-c2ncccn2)c1 ZINC000172536442 1183856157 /nfs/dbraw/zinc/85/61/57/1183856157.db2.gz NTKXIMZSYBHGBK-UHFFFAOYSA-N 0 0 321.304 0.281 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)Cn1nnc2ccccc21 ZINC000176368640 1184166111 /nfs/dbraw/zinc/16/61/11/1184166111.db2.gz GZTIBBNKWDQMHO-LBPRGKRZSA-N 0 0 306.366 0.581 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)c(F)c(F)c1F ZINC000187211301 1187463173 /nfs/dbraw/zinc/46/31/73/1187463173.db2.gz CBZSLYWTZBUJPG-XRGYYRRGSA-N 0 0 321.226 0.991 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3ncoc3C)CC2)n1 ZINC000187410339 1187492383 /nfs/dbraw/zinc/49/23/83/1187492383.db2.gz GEWGNENGEMITAV-UHFFFAOYSA-N 0 0 321.337 0.470 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N(C[C@H]1CCOC1)C1CC1 ZINC000188613728 1187762662 /nfs/dbraw/zinc/76/26/62/1187762662.db2.gz GHVVWMGDGODKDN-SNVBAGLBSA-N 0 0 314.345 0.959 10 0 DCAERN CN(CC1CCOCC1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188923305 1187829504 /nfs/dbraw/zinc/82/95/04/1187829504.db2.gz IDBBYWKTHZPTRA-UHFFFAOYSA-N 0 0 302.334 0.817 10 0 DCAERN CN(C)c1noc(CN2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000192698742 1187962732 /nfs/dbraw/zinc/96/27/32/1187962732.db2.gz SCIIFTMCYORQGJ-UHFFFAOYSA-N 0 0 316.365 0.489 10 0 DCAERN CN1CCN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CC1=O ZINC000193108810 1187969570 /nfs/dbraw/zinc/96/95/70/1187969570.db2.gz KUSPCBLLCCVWIP-UHFFFAOYSA-N 0 0 300.318 0.407 10 0 DCAERN C[C@@](NC(=O)Cn1nnc2ccccc21)(C(N)=O)c1ccccc1 ZINC000195182797 1188206471 /nfs/dbraw/zinc/20/64/71/1188206471.db2.gz NICLXEWGQQEYMY-KRWDZBQOSA-N 0 0 323.356 0.948 10 0 DCAERN C[C@@H]1CCN(C(=O)c2c(Br)nnn2C)C[C@@H]1O ZINC000310186484 1190388414 /nfs/dbraw/zinc/38/84/14/1190388414.db2.gz XQKDWKLNRMVZAJ-RQJHMYQMSA-N 0 0 303.160 0.421 10 0 DCAERN C[C@H]1CCN(C(=O)c2c(Br)nnn2C)C[C@H]1O ZINC000310186482 1190388999 /nfs/dbraw/zinc/38/89/99/1190388999.db2.gz XQKDWKLNRMVZAJ-NKWVEPMBSA-N 0 0 303.160 0.421 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)N[C@@H]1COC[C@@H]1O ZINC000323146870 1190445405 /nfs/dbraw/zinc/44/54/05/1190445405.db2.gz DFEORAUYBADBGJ-ZJUUUORDSA-N 0 0 319.130 0.660 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Br)ccc2N)CC(=O)N1 ZINC000386887133 1190699431 /nfs/dbraw/zinc/69/94/31/1190699431.db2.gz JNPXXYFHHYUUIP-SSDOTTSWSA-N 0 0 312.167 0.992 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cccc(Cl)c1N ZINC000390133995 1190699954 /nfs/dbraw/zinc/69/99/54/1190699954.db2.gz DPGHEXAGHQQPHC-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396929554 1190703180 /nfs/dbraw/zinc/70/31/80/1190703180.db2.gz OHLGKZSRNSNOPC-ZJUUUORDSA-N 0 0 315.167 0.659 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)C(=O)[C@H]2C)c1 ZINC000588527096 747403971 /nfs/dbraw/zinc/40/39/71/747403971.db2.gz OERCKKAXMUYHPM-DOGVGXBMSA-N 0 0 316.361 0.144 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NC[C@@]1(O)CCOC1 ZINC000227183954 747412179 /nfs/dbraw/zinc/41/21/79/747412179.db2.gz SHUSDUQCOVUJST-LBPRGKRZSA-N 0 0 315.167 0.913 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@H]1CC[C@H](O)C1 ZINC000191152568 764747886 /nfs/dbraw/zinc/74/78/86/764747886.db2.gz QFSQLUJQHBLOTD-RYUDHWBXSA-N 0 0 304.350 0.163 10 0 DCAERN CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000689199897 954643588 /nfs/dbraw/zinc/64/35/88/954643588.db2.gz LSDHBPSEKLTPJK-MNOVXSKESA-N 0 0 307.416 0.099 10 0 DCAERN C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000823771413 955528664 /nfs/dbraw/zinc/52/86/64/955528664.db2.gz DCLJEJHVQLYBBZ-KGLIPLIRSA-N 0 0 319.361 0.715 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408041859 282153911 /nfs/dbraw/zinc/15/39/11/282153911.db2.gz IUVUQXPSXSMWLV-BFHYXJOUSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1N ZINC000231785213 300375308 /nfs/dbraw/zinc/37/53/08/300375308.db2.gz ONUAXEZXGJPUHY-VIFPVBQESA-N 0 0 304.393 0.076 10 0 DCAERN CC[S@](=O)c1ccccc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188736254 529459114 /nfs/dbraw/zinc/45/91/14/529459114.db2.gz JJTXGDPCLXHXEQ-DMZKTXOQSA-N 0 0 324.446 0.953 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000408396627 529595372 /nfs/dbraw/zinc/59/53/72/529595372.db2.gz ZYWUJYMIOOELLI-NSHDSACASA-N 0 0 324.410 0.600 10 0 DCAERN CC[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCC1=O ZINC000174028159 529599336 /nfs/dbraw/zinc/59/93/36/529599336.db2.gz JMERRVBUUCCELX-WDEREUQCSA-N 0 0 302.396 0.033 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000278982090 214549127 /nfs/dbraw/zinc/54/91/27/214549127.db2.gz YQNJWOJFQWNZRT-BYHHXJKWSA-N 0 0 314.385 0.813 10 0 DCAERN COc1cccc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1F ZINC000090616896 185307059 /nfs/dbraw/zinc/30/70/59/185307059.db2.gz YATJFDPNRLHHPL-UHFFFAOYSA-N 0 0 321.312 0.766 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCCc3nc(C)no3)c2=O)s1 ZINC000092891599 185348242 /nfs/dbraw/zinc/34/82/42/185348242.db2.gz HKADEUCEZKMFPO-UHFFFAOYSA-N 0 0 319.346 0.728 10 0 DCAERN O=S(=O)(c1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000181408398 199291807 /nfs/dbraw/zinc/29/18/07/199291807.db2.gz FILJODVSXPZEID-WPRPVWTQSA-N 0 0 310.780 0.272 10 0 DCAERN Cc1ccccc1CS(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000181412934 199292558 /nfs/dbraw/zinc/29/25/58/199292558.db2.gz CUMICRWZLUSGIS-NEPJUHHUSA-N 0 0 304.389 0.068 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCC2)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000181411605 199293208 /nfs/dbraw/zinc/29/32/08/199293208.db2.gz CNNADULIOHHPBI-OLZOCXBDSA-N 0 0 316.400 0.107 10 0 DCAERN Cc1ccnc(N2CC[C@@](O)(C(N)=O)C2)c1Br ZINC000286631986 219093614 /nfs/dbraw/zinc/09/36/14/219093614.db2.gz KLFJCVKAKKGZPU-NSHDSACASA-N 0 0 300.156 0.579 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015614 185397373 /nfs/dbraw/zinc/39/73/73/185397373.db2.gz DDYLEHRESVLSOR-AAEUAGOBSA-N 0 0 300.380 0.899 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N[C@@]3(CO)CCOC3)CC2=O)cc1 ZINC000182936658 199513078 /nfs/dbraw/zinc/51/30/78/199513078.db2.gz KDNUWJCBARNZND-CXAGYDPISA-N 0 0 318.373 0.616 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCNC(=O)c1ccco1)C(C)C ZINC000178397648 529896852 /nfs/dbraw/zinc/89/68/52/529896852.db2.gz BUUPCLYRDLSFPO-NSHDSACASA-N 0 0 310.354 0.079 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000183107967 199538824 /nfs/dbraw/zinc/53/88/24/199538824.db2.gz YWSVTGGNMXRWNH-VXGBXAGGSA-N 0 0 321.377 0.300 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)C(=O)NCc1ccco1)C(C)C ZINC000178425553 529919842 /nfs/dbraw/zinc/91/98/42/529919842.db2.gz OQEJQJGFSHBDOG-CMPLNLGQSA-N 0 0 324.381 0.354 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCN1CCOCC1(C)C ZINC000179271996 529923582 /nfs/dbraw/zinc/92/35/82/529923582.db2.gz CVYXXNYAOGJDCU-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000286722950 219129380 /nfs/dbraw/zinc/12/93/80/219129380.db2.gz GKZLJVVDOFLLPU-YPMHNXCESA-N 0 0 302.309 0.910 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NCCc1cc(F)ccc1F ZINC000187598362 530016609 /nfs/dbraw/zinc/01/66/09/530016609.db2.gz QPMYSTCSVXJXOL-UHFFFAOYSA-N 0 0 321.349 0.356 10 0 DCAERN COCCOc1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccn1 ZINC000181710249 199342519 /nfs/dbraw/zinc/34/25/19/199342519.db2.gz NRAWUXIHLNBGLY-GFCCVEGCSA-N 0 0 317.349 0.963 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@@]1(O)CCCN(C(C)=O)C1 ZINC000286897801 219215458 /nfs/dbraw/zinc/21/54/58/219215458.db2.gz YXZROBRQLUILJJ-QGZVFWFLSA-N 0 0 318.373 0.958 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000129887859 290861263 /nfs/dbraw/zinc/86/12/63/290861263.db2.gz NPKPAOZAFPZZAW-SNVBAGLBSA-N 0 0 309.370 0.920 10 0 DCAERN CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CCC1 ZINC000280012084 215311730 /nfs/dbraw/zinc/31/17/30/215311730.db2.gz UOKHMDIUDNSAPV-UHFFFAOYSA-N 0 0 324.358 0.923 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171485844 186167237 /nfs/dbraw/zinc/16/72/37/186167237.db2.gz UQFNLNKDZKOHAK-LLVKDONJSA-N 0 0 310.354 0.905 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000175630327 186182402 /nfs/dbraw/zinc/18/24/02/186182402.db2.gz QRSQPHCWBVHEGD-LLVKDONJSA-N 0 0 316.361 0.237 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251072 186327410 /nfs/dbraw/zinc/32/74/10/186327410.db2.gz BMIQIYHJOYKMIO-QWHCGFSZSA-N 0 0 307.398 0.629 10 0 DCAERN C[C@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000179608367 299181017 /nfs/dbraw/zinc/18/10/17/299181017.db2.gz CFAOJMAFOQUXFI-GXSJLCMTSA-N 0 0 322.413 0.875 10 0 DCAERN C[C@H]([C@H](C)NC(=O)CNC(=O)c1ccccn1)N1CCOCC1 ZINC000172541595 198112416 /nfs/dbraw/zinc/11/24/16/198112416.db2.gz KCCUMGDHIUNHPL-QWHCGFSZSA-N 0 0 320.393 0.037 10 0 DCAERN Cc1noc(C)c1CCNC(=O)CNC(=O)c1ccccn1 ZINC000172543660 198112735 /nfs/dbraw/zinc/11/27/35/198112735.db2.gz NPBKURMVCPVMAV-UHFFFAOYSA-N 0 0 302.334 0.775 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)NCCn2cc(C)cn2)n1 ZINC000173275052 198205132 /nfs/dbraw/zinc/20/51/32/198205132.db2.gz FUMRFMIZACNWAQ-UHFFFAOYSA-N 0 0 306.326 0.383 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1(CO)CCC1 ZINC000331891904 234242480 /nfs/dbraw/zinc/24/24/80/234242480.db2.gz AKVDXIOLYPAGIO-MNOVXSKESA-N 0 0 305.396 0.410 10 0 DCAERN CCc1cnc(CNC(=O)Nc2cnn(CC(=O)NC)c2)s1 ZINC000173394324 198209992 /nfs/dbraw/zinc/20/99/92/198209992.db2.gz JLQVENBLERUARV-UHFFFAOYSA-N 0 0 322.394 0.970 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173391662 198210511 /nfs/dbraw/zinc/21/05/11/198210511.db2.gz NKYUPJWJCRIJHX-GFCCVEGCSA-N 0 0 307.325 0.179 10 0 DCAERN Cc1cc(C)n(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173841798 198259564 /nfs/dbraw/zinc/25/95/64/198259564.db2.gz HVVBXOZWVLAQFX-SWLSCSKDSA-N 0 0 306.410 0.679 10 0 DCAERN C[C@](O)(CNC(=O)NCCCN1CCCC1=O)c1ccco1 ZINC000173919184 198270172 /nfs/dbraw/zinc/27/01/72/198270172.db2.gz RWDOBTMVXZLFJW-HNNXBMFYSA-N 0 0 309.366 0.799 10 0 DCAERN O=C(CCCNC(=O)N1CCC[C@H](n2cncn2)C1)NC1CC1 ZINC000173975405 198275289 /nfs/dbraw/zinc/27/52/89/198275289.db2.gz WZIKSOKCNBOPRH-ZDUSSCGKSA-N 0 0 320.397 0.683 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000182073066 199383486 /nfs/dbraw/zinc/38/34/86/199383486.db2.gz GAOFMYSEZYLFQC-LLVKDONJSA-N 0 0 309.341 0.205 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174156953 198299732 /nfs/dbraw/zinc/29/97/32/198299732.db2.gz SHQIPPPMUBKBBB-CHWSQXEVSA-N 0 0 322.413 0.929 10 0 DCAERN CC(C)(Oc1ccc(F)cc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000174274437 198313677 /nfs/dbraw/zinc/31/36/77/198313677.db2.gz RAFQQGPKACRLQH-LLVKDONJSA-N 0 0 308.309 0.905 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000174588590 198355544 /nfs/dbraw/zinc/35/55/44/198355544.db2.gz VIJKVRQADPEQBR-NEPJUHHUSA-N 0 0 314.407 0.646 10 0 DCAERN CN(c1cccnn1)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000174650488 198365610 /nfs/dbraw/zinc/36/56/10/198365610.db2.gz UGLOBSPKUSMGCF-AWEZNQCLSA-N 0 0 319.409 0.234 10 0 DCAERN CCc1noc([C@H](C)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000174740195 198378176 /nfs/dbraw/zinc/37/81/76/198378176.db2.gz JGNIVIXUDDEMAT-NSHDSACASA-N 0 0 318.381 0.609 10 0 DCAERN COC[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999442 198413190 /nfs/dbraw/zinc/41/31/90/198413190.db2.gz GUWLADLXGMPMMK-CMPLNLGQSA-N 0 0 308.382 0.623 10 0 DCAERN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)OC ZINC000175750876 198505955 /nfs/dbraw/zinc/50/59/55/198505955.db2.gz QRICOKSMYITKAF-ZYHUDNBSSA-N 0 0 308.334 0.696 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccnn2C(C)C)c1 ZINC000176042457 198539153 /nfs/dbraw/zinc/53/91/53/198539153.db2.gz LXQSQODFDVYBAX-UHFFFAOYSA-N 0 0 304.354 0.724 10 0 DCAERN COc1cc(OCC(=O)N2CCOCC2)cc(OC)c1OC ZINC000003613566 181040925 /nfs/dbraw/zinc/04/09/25/181040925.db2.gz SQAOLDXRUNCZCI-UHFFFAOYSA-N 0 0 311.334 0.950 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000073320020 191304202 /nfs/dbraw/zinc/30/42/02/191304202.db2.gz OSSQIEGHNZCUMB-DXBOYUFBSA-N 0 0 305.378 0.887 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110954322 283038974 /nfs/dbraw/zinc/03/89/74/283038974.db2.gz GLXOBMULANSMHE-HUUCEWRRSA-N 0 0 323.437 0.568 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1cnc2ccccc2c1=O ZINC000182825080 199496412 /nfs/dbraw/zinc/49/64/12/199496412.db2.gz HFRKBRVWADZCKF-INIZCTEOSA-N 0 0 319.361 0.300 10 0 DCAERN C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)[C@@H]1CCCO1 ZINC000073720031 191346128 /nfs/dbraw/zinc/34/61/28/191346128.db2.gz KHULXXMGCHRIIW-GWCFXTLKSA-N 0 0 306.366 0.416 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000074855063 191373130 /nfs/dbraw/zinc/37/31/30/191373130.db2.gz URGHBPFQPWXVOR-LBPRGKRZSA-N 0 0 304.412 0.295 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@@H](CCSC)NC(N)=O ZINC000038020942 283123948 /nfs/dbraw/zinc/12/39/48/283123948.db2.gz BZZFBBYMXAAZBR-SNVBAGLBSA-N 0 0 319.427 0.578 10 0 DCAERN CCc1nnc(SCC(=O)Nc2ccccc2C(N)=O)n1N ZINC000005605534 181262966 /nfs/dbraw/zinc/26/29/66/181262966.db2.gz VHOXDLXFMMHFJN-UHFFFAOYSA-N 0 0 320.378 0.384 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000118984107 283193086 /nfs/dbraw/zinc/19/30/86/283193086.db2.gz OXRNVZSZLHHLBU-UHFFFAOYSA-N 0 0 317.455 0.906 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000185907413 283290728 /nfs/dbraw/zinc/29/07/28/283290728.db2.gz LYWYRHPLCCQHHG-ABAIWWIYSA-N 0 0 323.780 0.864 10 0 DCAERN Cc1ccc2oc(C(=O)NC[C@H](O)CN3CCOCC3)cc2n1 ZINC000179475623 199042371 /nfs/dbraw/zinc/04/23/71/199042371.db2.gz ANXWYPHJULGEHK-LBPRGKRZSA-N 0 0 319.361 0.559 10 0 DCAERN Cn1cnn(CC(=O)N2CCCC[C@H]2c2nccs2)c1=O ZINC000179523501 199049559 /nfs/dbraw/zinc/04/95/59/199049559.db2.gz KXFFUQUIBFDTAO-JTQLQIEISA-N 0 0 307.379 0.792 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCN(C)C(=O)C3)ccc2o1 ZINC000179847494 199087462 /nfs/dbraw/zinc/08/74/62/199087462.db2.gz YSSOLJASPQETTQ-UHFFFAOYSA-N 0 0 316.317 0.375 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@]2(C)CCCC[C@@H]2O)cn1 ZINC000179460954 283341375 /nfs/dbraw/zinc/34/13/75/283341375.db2.gz CUDWKQYZEORRLL-WFASDCNBSA-N 0 0 323.397 0.692 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000132369785 291137937 /nfs/dbraw/zinc/13/79/37/291137937.db2.gz ICMMWNWXZOFKLK-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccnc1 ZINC000180326141 199146056 /nfs/dbraw/zinc/14/60/56/199146056.db2.gz AYHUJVYMGDFSKU-NWDGAFQWSA-N 0 0 311.407 0.677 10 0 DCAERN CCCN1CCN(C[C@@H](C)CS(C)(=O)=O)C(C)(C)C1=O ZINC000187871656 283347970 /nfs/dbraw/zinc/34/79/70/283347970.db2.gz XWKBMDPFUBYAIQ-GFCCVEGCSA-N 0 0 304.456 1.000 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181112094 199253402 /nfs/dbraw/zinc/25/34/02/199253402.db2.gz WPRNRAMOGPDEEN-APPDUMDISA-N 0 0 317.389 0.597 10 0 DCAERN CCCS(=O)(=O)N1CCC2(CC1)COCCN(C(C)=O)C2 ZINC000096078290 283424094 /nfs/dbraw/zinc/42/40/94/283424094.db2.gz MFEAGJXGURTXIL-UHFFFAOYSA-N 0 0 318.439 0.687 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)O1 ZINC000151669664 237001033 /nfs/dbraw/zinc/00/10/33/237001033.db2.gz XECAAQACGICYAF-WCQYABFASA-N 0 0 319.361 0.227 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)C[C@H](C)O1 ZINC000162438956 237108910 /nfs/dbraw/zinc/10/89/10/237108910.db2.gz CQMFUZMKFUSEMN-TXEJJXNPSA-N 0 0 306.428 0.699 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000172447835 237149797 /nfs/dbraw/zinc/14/97/97/237149797.db2.gz UQQDJQNPTLCDNG-STQMWFEESA-N 0 0 309.410 0.939 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)[C@H](C)CO1 ZINC000173072085 237152730 /nfs/dbraw/zinc/15/27/30/237152730.db2.gz PSWBAFVRTDJWSL-CHWSQXEVSA-N 0 0 313.423 0.910 10 0 DCAERN C[C@H](C(N)=O)S(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173971648 237168210 /nfs/dbraw/zinc/16/82/10/237168210.db2.gz URVVTDMWKOAMAT-SECBINFHSA-N 0 0 311.338 0.800 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(C(F)(F)F)nc1 ZINC000089753643 192858200 /nfs/dbraw/zinc/85/82/00/192858200.db2.gz RNYMNYKBNYUVSS-SSDOTTSWSA-N 0 0 301.224 0.635 10 0 DCAERN O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCC(=O)NC1=O ZINC000089754317 192858213 /nfs/dbraw/zinc/85/82/13/192858213.db2.gz JFJXCYZUCGNGHJ-SECBINFHSA-N 0 0 314.700 0.779 10 0 DCAERN O=C(c1ncncc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000176514468 237198768 /nfs/dbraw/zinc/19/87/68/237198768.db2.gz ISFQBXPVVRVIMW-NSHDSACASA-N 0 0 324.768 0.593 10 0 DCAERN COc1cccc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC000187185524 200073279 /nfs/dbraw/zinc/07/32/79/200073279.db2.gz PVNQRYFJNHFQEK-STQMWFEESA-N 0 0 303.362 0.902 10 0 DCAERN Cc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)c(C)n1 ZINC000187273436 200086707 /nfs/dbraw/zinc/08/67/07/200086707.db2.gz WCKBBHYVTZHNOB-UHFFFAOYSA-N 0 0 312.439 0.105 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C(N)=O)co1 ZINC000187712821 237356660 /nfs/dbraw/zinc/35/66/60/237356660.db2.gz FOYAGWZMPVGQMZ-NWDGAFQWSA-N 0 0 300.380 0.824 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)NCC1(CCO)CC1 ZINC000188051465 237364748 /nfs/dbraw/zinc/36/47/48/237364748.db2.gz SKJJZOHSBIMHPW-UHFFFAOYSA-N 0 0 318.421 0.482 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](CO)C2)s1 ZINC000187936897 200178973 /nfs/dbraw/zinc/17/89/73/200178973.db2.gz KNTXNGFQUROVFS-ONGXEEELSA-N 0 0 312.391 0.606 10 0 DCAERN C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1CCO ZINC000188801458 237380327 /nfs/dbraw/zinc/38/03/27/237380327.db2.gz IPPAGRNFFHAZGA-LBPRGKRZSA-N 0 0 322.409 0.795 10 0 DCAERN CCNC(=O)N1CCN(C(=O)Cc2cccc(OC)n2)CC1 ZINC000188092377 200192075 /nfs/dbraw/zinc/19/20/75/200192075.db2.gz IWBVESIJDLXEAZ-UHFFFAOYSA-N 0 0 306.366 0.506 10 0 DCAERN COC[C@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@@H](C)O1 ZINC000188268576 200219400 /nfs/dbraw/zinc/21/94/00/200219400.db2.gz CMEWIDWVLLSROI-ZIAGYGMSSA-N 0 0 320.389 0.987 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)C1CCCC1 ZINC000188687524 200288114 /nfs/dbraw/zinc/28/81/14/200288114.db2.gz LVCSIWNETFUZHP-IUODEOHRSA-N 0 0 311.426 0.206 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCN(CCO)[C@H](C)C2)nn1 ZINC000188729156 200295783 /nfs/dbraw/zinc/29/57/83/200295783.db2.gz OSCNIVXYCLSLFO-CYBMUJFWSA-N 0 0 309.414 0.463 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000153854665 291208724 /nfs/dbraw/zinc/20/87/24/291208724.db2.gz NYCWTNSXSFWNHZ-DGCLKSJQSA-N 0 0 313.361 0.923 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000154032659 291210246 /nfs/dbraw/zinc/21/02/46/291210246.db2.gz TXDLMNITBSWUEB-VXGBXAGGSA-N 0 0 313.361 0.993 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000154474345 291214204 /nfs/dbraw/zinc/21/42/04/291214204.db2.gz RSQUYRVQLPRFQX-UHFFFAOYSA-N 0 0 311.407 0.886 10 0 DCAERN COCCc1cc(NC(=O)COc2c(C)nn(C)c2C)n(C)n1 ZINC000156758701 291226066 /nfs/dbraw/zinc/22/60/66/291226066.db2.gz QNHZLOAMOGRNPR-UHFFFAOYSA-N 0 0 321.381 0.977 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)nn1 ZINC000157746424 291229731 /nfs/dbraw/zinc/22/97/31/291229731.db2.gz UXJBLHHUTWKEMF-LBPRGKRZSA-N 0 0 317.324 0.710 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1ccc(CC)c(F)c1 ZINC000162919597 291245224 /nfs/dbraw/zinc/24/52/24/291245224.db2.gz VHGMIAGLDFIZDE-UHFFFAOYSA-N 0 0 309.341 0.969 10 0 DCAERN CC(C)C(=O)NCCN(C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000162928435 291245364 /nfs/dbraw/zinc/24/53/64/291245364.db2.gz ATWKAGSIXJIILN-UHFFFAOYSA-N 0 0 308.386 0.779 10 0 DCAERN O[C@@H](Cn1nnnc1/C=C/c1ccccc1)CN1CCOCC1 ZINC000164173170 291247710 /nfs/dbraw/zinc/24/77/10/291247710.db2.gz RZRNFCVRJABSEF-LQYUOIDQSA-N 0 0 315.377 0.537 10 0 DCAERN CC(C)N1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000163739377 291247054 /nfs/dbraw/zinc/24/70/54/291247054.db2.gz QBALUKFQXCRKOW-UHFFFAOYSA-N 0 0 320.397 0.034 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000269189837 291250483 /nfs/dbraw/zinc/25/04/83/291250483.db2.gz FBVHVGWHNLVZNE-IJLUTSLNSA-N 0 0 306.370 0.119 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275505210 212380057 /nfs/dbraw/zinc/38/00/57/212380057.db2.gz KQUZTJCPVXOSQF-STQMWFEESA-N 0 0 322.409 0.375 10 0 DCAERN Cc1n[nH]c(C)c1CN1CCN(c2cncc3ncnn32)CC1 ZINC000275495175 212372882 /nfs/dbraw/zinc/37/28/82/212372882.db2.gz BRTAZNXCYPVMSP-UHFFFAOYSA-N 0 0 312.381 0.786 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCCNS(C)(=O)=O ZINC000117751747 291321043 /nfs/dbraw/zinc/32/10/43/291321043.db2.gz GJRSIONCTRGJKY-GWCFXTLKSA-N 0 0 312.391 0.607 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](O)CC[C@@H]2C)C1 ZINC000422005400 240120047 /nfs/dbraw/zinc/12/00/47/240120047.db2.gz LJTBBIQDWGLHDH-RWMBFGLXSA-N 0 0 318.439 0.420 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408317792 291335163 /nfs/dbraw/zinc/33/51/63/291335163.db2.gz XTTDWTYGMDENPO-LOWDOPEQSA-N 0 0 319.423 0.751 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000443008516 240552834 /nfs/dbraw/zinc/55/28/34/240552834.db2.gz UQJTZZWDUKJVLM-SNVBAGLBSA-N 0 0 313.379 0.332 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CC[C@H](O)C3)c2)no1 ZINC000091258509 193027095 /nfs/dbraw/zinc/02/70/95/193027095.db2.gz MTFXTGBEAOGZAY-LBPRGKRZSA-N 0 0 316.317 0.577 10 0 DCAERN O=S(=O)(c1ccc2c(c1)COC2)N1C[C@H](F)C[C@@H]1CO ZINC000444281680 240563801 /nfs/dbraw/zinc/56/38/01/240563801.db2.gz WHRZMJIVZJZCSB-VXGBXAGGSA-N 0 0 301.339 0.810 10 0 DCAERN C[C@@H](NC(=O)NCCS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000179200583 296080802 /nfs/dbraw/zinc/08/08/02/296080802.db2.gz ZODJQIAPGGCIQQ-PWSUYJOCSA-N 0 0 312.391 0.895 10 0 DCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(CO)C3)cc21 ZINC000091488377 193063579 /nfs/dbraw/zinc/06/35/79/193063579.db2.gz FTTGTNSQHGJVNU-UHFFFAOYSA-N 0 0 310.375 0.208 10 0 DCAERN CC[C@@H](NC(=O)C(=O)Nc1cccc(N(C)C)c1C)C(=O)NC ZINC000454108347 240772318 /nfs/dbraw/zinc/77/23/18/240772318.db2.gz RVNUNIRDNLIDAC-LLVKDONJSA-N 0 0 320.393 0.640 10 0 DCAERN CNC(=O)C[C@H](C)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000456513982 240913327 /nfs/dbraw/zinc/91/33/27/240913327.db2.gz QKMODTUBCMRAMC-NSHDSACASA-N 0 0 301.350 0.586 10 0 DCAERN COC[C@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)OC ZINC000457700174 241027454 /nfs/dbraw/zinc/02/74/54/241027454.db2.gz XDAOZIAWPWFGNY-LBPRGKRZSA-N 0 0 309.318 0.699 10 0 DCAERN CC(C)O[C@H]1C[C@@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C1 ZINC000457877157 241045945 /nfs/dbraw/zinc/04/59/45/241045945.db2.gz UVCCBLWZLIAUEZ-ZENOOKHLSA-N 0 0 308.378 0.672 10 0 DCAERN C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)N1CCOCC1 ZINC000275255896 212227511 /nfs/dbraw/zinc/22/75/11/212227511.db2.gz HDFIJKKJLIIJAY-STQMWFEESA-N 0 0 322.409 0.375 10 0 DCAERN CCC[C@](C)(NC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)C(=O)OC ZINC000036817270 284008452 /nfs/dbraw/zinc/00/84/52/284008452.db2.gz MFNKGBJBIGKUMT-BHDSKKPTSA-N 0 0 301.387 0.917 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@H](C)C2)co1 ZINC000275225012 212207651 /nfs/dbraw/zinc/20/76/51/212207651.db2.gz IPXODAKJUJGFPC-MRVPVSSYSA-N 0 0 300.336 0.239 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000282145890 216777384 /nfs/dbraw/zinc/77/73/84/216777384.db2.gz HZUWJHHBJHIMGL-TZMCWYRMSA-N 0 0 319.409 0.972 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000562415083 288573559 /nfs/dbraw/zinc/57/35/59/288573559.db2.gz KJOVVYHWWQSAJD-HZSPNIEDSA-N 0 0 321.439 0.052 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)n(C)n1 ZINC000093201851 193215634 /nfs/dbraw/zinc/21/56/34/193215634.db2.gz OUMQBWRRBDZCTQ-UHFFFAOYSA-N 0 0 319.409 0.618 10 0 DCAERN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN2C(=O)NC[C@H]2C1 ZINC000267707848 296152125 /nfs/dbraw/zinc/15/21/25/296152125.db2.gz IHPOEYLPDLFSIJ-WCQYABFASA-N 0 0 321.764 0.880 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CCS[C@@H](C)C2)cn1C ZINC000264144344 203732313 /nfs/dbraw/zinc/73/23/13/203732313.db2.gz QYKXAKSKBMIYSQ-VIFPVBQESA-N 0 0 317.436 0.511 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccncc1Cl ZINC000184908562 291503733 /nfs/dbraw/zinc/50/37/33/291503733.db2.gz SAGKRVYXQJXUHR-NSHDSACASA-N 0 0 318.782 0.507 10 0 DCAERN CO[C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cnn(C)c1 ZINC000282636168 217141121 /nfs/dbraw/zinc/14/11/21/217141121.db2.gz GQVFUKLPPCRUKE-LLVKDONJSA-N 0 0 315.395 0.143 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C1 ZINC000572087474 291547768 /nfs/dbraw/zinc/54/77/68/291547768.db2.gz WVQSMYPCWGROCD-PKCACUDHSA-N 0 0 307.394 0.577 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000015453304 182003126 /nfs/dbraw/zinc/00/31/26/182003126.db2.gz SUBKMLJOYBYQLX-GFCCVEGCSA-N 0 0 304.346 0.946 10 0 DCAERN O=CN1CCN(CC(=O)N2N=CC[C@H]2c2ccccc2)CC1 ZINC000017024957 182068342 /nfs/dbraw/zinc/06/83/42/182068342.db2.gz DAKVXDIBVRSYRR-HNNXBMFYSA-N 0 0 300.362 0.720 10 0 DCAERN Cc1cc(C)nc(N2NC(=CC(=O)N3CCOCC3)CC2=O)n1 ZINC000017054240 182072080 /nfs/dbraw/zinc/07/20/80/182072080.db2.gz KLEZIJQAFYLCMD-UHFFFAOYSA-N 0 0 317.349 0.435 10 0 DCAERN C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C12OCC(C)(CO1)CO2 ZINC000090636328 296202471 /nfs/dbraw/zinc/20/24/71/296202471.db2.gz QWNFBCIGWLGERA-JZNMGUDDSA-N 0 0 303.355 0.998 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCO[C@]2(CCOC2)C1 ZINC000183833564 296203145 /nfs/dbraw/zinc/20/31/45/296203145.db2.gz IVVWOIDWRKJNHN-OAHLLOKOSA-N 0 0 315.333 0.294 10 0 DCAERN Cn1c2cc(NC(=O)N3CC(CC(N)=O)C3)ccc2ccc1=O ZINC000573051247 291607370 /nfs/dbraw/zinc/60/73/70/291607370.db2.gz HWGIQRPPSVQMRC-UHFFFAOYSA-N 0 0 314.345 0.878 10 0 DCAERN C=Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@@H]([NH3+])C3)nc21 ZINC000029335484 182561756 /nfs/dbraw/zinc/56/17/56/182561756.db2.gz WYLIRDAEYNYJBU-MRVPVSSYSA-N 0 0 318.308 0.872 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCOC[C@@]12CCOC2 ZINC000194388004 296234687 /nfs/dbraw/zinc/23/46/87/296234687.db2.gz HMPDLECMMOPDSZ-INIZCTEOSA-N 0 0 302.330 0.813 10 0 DCAERN NS(=O)(=O)c1ccc(NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038084263 182987065 /nfs/dbraw/zinc/98/70/65/182987065.db2.gz PXCKHJUUKSPMNM-SECBINFHSA-N 0 0 304.393 0.181 10 0 DCAERN C[C@@H]1C(=O)N([C@H]2CCCN(c3nccn(C)c3=O)C2)C(=O)N1C ZINC000329273335 296259234 /nfs/dbraw/zinc/25/92/34/296259234.db2.gz IEFJXZUBNMRMLS-MNOVXSKESA-N 0 0 319.365 0.032 10 0 DCAERN CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NCC(=O)[O-] ZINC000039796956 183022301 /nfs/dbraw/zinc/02/23/01/183022301.db2.gz YOKVEHGYYQEQOP-WDEREUQCSA-N 0 0 301.387 0.092 10 0 DCAERN COCc1c(C(=O)NCCO)nnn1-c1ccc(Cl)cc1 ZINC000040179876 183044939 /nfs/dbraw/zinc/04/49/39/183044939.db2.gz GHZMIDDVFVLIDN-UHFFFAOYSA-N 0 0 310.741 0.789 10 0 DCAERN Cc1ccc(S(=O)(=O)NN=c2nc[nH]c(N(C)C)c2N)cc1 ZINC000040723568 183124301 /nfs/dbraw/zinc/12/43/01/183124301.db2.gz RYSPIQKOGDZHHA-UHFFFAOYSA-N 0 0 322.394 0.739 10 0 DCAERN CC(C)N(CCO)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000042480849 183275525 /nfs/dbraw/zinc/27/55/25/183275525.db2.gz MOSFFZRVJUWTHG-UHFFFAOYSA-N 0 0 302.421 0.712 10 0 DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000042483563 183276366 /nfs/dbraw/zinc/27/63/66/183276366.db2.gz CXCXTICUTRYHQC-MRVPVSSYSA-N 0 0 308.787 0.550 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)c2cc(N)cs2)CC1 ZINC000042614248 183291352 /nfs/dbraw/zinc/29/13/52/183291352.db2.gz HTQVVBIUWUOULF-UHFFFAOYSA-N 0 0 303.409 0.573 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N2CCC[C@@H]2C(=O)NC)CC1=O ZINC000104360851 194002270 /nfs/dbraw/zinc/00/22/70/194002270.db2.gz FOSOQCXTGORLET-YNEHKIRRSA-N 0 0 309.410 0.761 10 0 DCAERN CCN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O ZINC000046186891 183556520 /nfs/dbraw/zinc/55/65/20/183556520.db2.gz KDPQROWPSUPVSZ-GFCCVEGCSA-N 0 0 318.377 0.725 10 0 DCAERN COCCOCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811459 194134725 /nfs/dbraw/zinc/13/47/25/194134725.db2.gz HFQJGHZWYKBNDK-UHFFFAOYSA-N 0 0 308.382 0.568 10 0 DCAERN CCOC(=O)[C@@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817404 194136011 /nfs/dbraw/zinc/13/60/11/194136011.db2.gz JSGFJJDVEMFAPU-LLVKDONJSA-N 0 0 304.354 0.198 10 0 DCAERN CCOc1cc(C)nc(N2CCN(CCCNC(C)=O)CC2)n1 ZINC000105868810 194151776 /nfs/dbraw/zinc/15/17/76/194151776.db2.gz BCTHQVINYLSRAM-UHFFFAOYSA-N 0 0 321.425 0.832 10 0 DCAERN CCOC(=O)[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868637 194152123 /nfs/dbraw/zinc/15/21/23/194152123.db2.gz GDWVWHZMQSJTIM-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN O=C(NCc1nncn1C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000109846925 194293226 /nfs/dbraw/zinc/29/32/26/194293226.db2.gz IWDYFHUKGAHYRP-UHFFFAOYSA-N 0 0 310.317 0.780 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000109855593 194293705 /nfs/dbraw/zinc/29/37/05/194293705.db2.gz JRHFFNZLHDYGFO-NSHDSACASA-N 0 0 318.381 0.612 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(N)=O ZINC000053394819 183901071 /nfs/dbraw/zinc/90/10/71/183901071.db2.gz RTQNDIDFVOEZHG-GVXVVHGQSA-N 0 0 305.378 0.821 10 0 DCAERN O=C(NCCCNC(=O)[C@@H]1CNC(=O)C1)c1cccc(F)c1 ZINC000110358681 194324551 /nfs/dbraw/zinc/32/45/51/194324551.db2.gz BROAJUVNZOVQBX-NSHDSACASA-N 0 0 307.325 0.198 10 0 DCAERN CN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)c2ccccc21 ZINC000110480620 194332894 /nfs/dbraw/zinc/33/28/94/194332894.db2.gz JWEFPXNNENYCJV-UHFFFAOYSA-N 0 0 316.361 0.800 10 0 DCAERN CCCc1cc(NC(=O)Cn2nc3ccccn3c2=O)n[nH]1 ZINC000110848071 194362701 /nfs/dbraw/zinc/36/27/01/194362701.db2.gz SGYOEGMSBMAJNI-UHFFFAOYSA-N 0 0 300.322 0.810 10 0 DCAERN CN(C)c1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1Cl ZINC000056101203 184004813 /nfs/dbraw/zinc/00/48/13/184004813.db2.gz GKYJHDFGFZLVLC-VIFPVBQESA-N 0 0 310.741 0.943 10 0 DCAERN NS(=O)(=O)c1ccc(Cl)c(N[C@H]2CCS(=O)(=O)C2)c1 ZINC000062962228 184262360 /nfs/dbraw/zinc/26/23/60/184262360.db2.gz NWFPNWQSGSJGIK-ZETCQYMHSA-N 0 0 324.811 0.586 10 0 DCAERN CCCS(=O)(=O)N1CCN(C(=O)c2cscn2)CC1 ZINC000062614087 184245340 /nfs/dbraw/zinc/24/53/40/184245340.db2.gz MTQSXXNELZHRHG-UHFFFAOYSA-N 0 0 303.409 0.641 10 0 DCAERN C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1cccc(N)c1 ZINC000063142003 184273359 /nfs/dbraw/zinc/27/33/59/184273359.db2.gz YBLHFVIWGIYMLT-SECBINFHSA-N 0 0 306.409 0.294 10 0 DCAERN COc1ccc(Cn2c(=O)[nH]nc2[C@@H]2CC(=O)N(C)C2)cc1 ZINC000065398567 184336560 /nfs/dbraw/zinc/33/65/60/184336560.db2.gz HQSVCNSAYMNLHZ-LLVKDONJSA-N 0 0 302.334 0.574 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1csnn1 ZINC000067315002 184459663 /nfs/dbraw/zinc/45/96/63/184459663.db2.gz GXIFUIPPNYQQNP-NSHDSACASA-N 0 0 304.375 0.967 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000176898692 252604016 /nfs/dbraw/zinc/60/40/16/252604016.db2.gz NWBUWIDSMYQBBM-MRVPVSSYSA-N 0 0 303.366 0.825 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)c2cccc(C(N)=O)c2)no1 ZINC000182960275 252612511 /nfs/dbraw/zinc/61/25/11/252612511.db2.gz IKEGHZBKFMKISY-UHFFFAOYSA-N 0 0 310.335 0.298 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000275406216 252623481 /nfs/dbraw/zinc/62/34/81/252623481.db2.gz BCMVOURFGPMBIC-NXEZZACHSA-N 0 0 304.350 0.407 10 0 DCAERN CCC(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000333780567 252762731 /nfs/dbraw/zinc/76/27/31/252762731.db2.gz UJLJPRQUVXJNOK-NSHDSACASA-N 0 0 310.398 0.660 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338375790 252953059 /nfs/dbraw/zinc/95/30/59/252953059.db2.gz ITWCQIJQCSXVHC-GASCZTMLSA-N 0 0 304.346 0.927 10 0 DCAERN CC(=O)c1csc(C(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000339214786 253041040 /nfs/dbraw/zinc/04/10/40/253041040.db2.gz KWYBNLFGOHKLRY-LBPRGKRZSA-N 0 0 312.391 0.374 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)C1 ZINC000340596308 253281834 /nfs/dbraw/zinc/28/18/34/253281834.db2.gz OCKNUJMXZFUAKA-BDAKNGLRSA-N 0 0 304.334 0.866 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000120209356 195119359 /nfs/dbraw/zinc/11/93/59/195119359.db2.gz IRNLCKNYQDUZSY-OLZOCXBDSA-N 0 0 304.456 0.904 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CCCOC2)c1 ZINC000343728539 253692327 /nfs/dbraw/zinc/69/23/27/253692327.db2.gz NIAWVFJZCOTFKS-ZDUSSCGKSA-N 0 0 319.361 0.903 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000347363895 254151314 /nfs/dbraw/zinc/15/13/14/254151314.db2.gz BGQRSRGWGYRAPF-SECBINFHSA-N 0 0 315.395 0.799 10 0 DCAERN NC(=O)[C@H]1C[C@H](F)CN1C(=O)COCCOc1ccccc1 ZINC000347260466 254142793 /nfs/dbraw/zinc/14/27/93/254142793.db2.gz NETJMWDGJDJDDZ-WCQYABFASA-N 0 0 310.325 0.506 10 0 DCAERN CC(=O)c1ccc(CC(=O)N[C@@H](CO)CN2CCOCC2)cc1 ZINC000351485309 254338419 /nfs/dbraw/zinc/33/84/19/254338419.db2.gz YNWRGHYXMMLJED-MRXNPFEDSA-N 0 0 320.389 0.241 10 0 DCAERN COc1cccc(OC)c1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350618776 254319518 /nfs/dbraw/zinc/31/95/18/254319518.db2.gz FXBSZKRBGUYBBN-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN COc1ccc(CCC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350620186 254319633 /nfs/dbraw/zinc/31/96/33/254319633.db2.gz MGVSAHPFPAIXPZ-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN C[C@H](CNC(=O)COc1cccc(Cl)c1)S(N)(=O)=O ZINC000350620126 254320030 /nfs/dbraw/zinc/32/00/30/254320030.db2.gz LWNPDOMIBQWRCA-MRVPVSSYSA-N 0 0 306.771 0.512 10 0 DCAERN C[C@@H](CNC(=O)CSc1ccc(F)cc1)S(N)(=O)=O ZINC000350622325 254320232 /nfs/dbraw/zinc/32/02/32/254320232.db2.gz ZGKMSSCRXPLVJF-QMMMGPOBSA-N 0 0 306.384 0.711 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350630028 254321964 /nfs/dbraw/zinc/32/19/64/254321964.db2.gz VKMKGAJZXCXQHO-GHMZBOCLSA-N 0 0 300.380 0.556 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)NCC(=O)NCC1CC1 ZINC000186828305 533145454 /nfs/dbraw/zinc/14/54/54/533145454.db2.gz DYCCAFUEXLVMGM-JTQLQIEISA-N 0 0 306.366 0.977 10 0 DCAERN CCN1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000190176904 285223353 /nfs/dbraw/zinc/22/33/53/285223353.db2.gz TYTADFQFRPGGBT-ZDUSSCGKSA-N 0 0 317.455 0.212 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408420193 291923554 /nfs/dbraw/zinc/92/35/54/291923554.db2.gz SLXWOKKPDLBWQT-VHSXEESVSA-N 0 0 308.425 0.511 10 0 DCAERN COc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)c1 ZINC000248121431 257107961 /nfs/dbraw/zinc/10/79/61/257107961.db2.gz DZAYWGQINCHHTB-UONOGXRCSA-N 0 0 324.402 0.944 10 0 DCAERN CC(=O)N1C[C@H]2C[N@H+](Cc3nccn3C)CCC[C@@]2(C(=O)[O-])C1 ZINC000248108632 257109308 /nfs/dbraw/zinc/10/93/08/257109308.db2.gz GPIYNBPCLREWED-CZUORRHYSA-N 0 0 320.393 0.565 10 0 DCAERN Cc1nnc(N2C[C@H]3COC[C@@]3(C(=O)N3CCCC3)C2)s1 ZINC000248054828 257110077 /nfs/dbraw/zinc/11/00/77/257110077.db2.gz YDLDEDCJPGALCW-FZMZJTMJSA-N 0 0 308.407 0.922 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2N1C ZINC000248039779 257111828 /nfs/dbraw/zinc/11/18/28/257111828.db2.gz NZMODASMJYLJFZ-AEGPPILISA-N 0 0 319.380 0.645 10 0 DCAERN O=C(C[C@@]12COC[C@@H]1CN(c1ncccn1)C2)N1CCCCO1 ZINC000247873950 257114765 /nfs/dbraw/zinc/11/47/65/257114765.db2.gz SBTIOIHGAAJLGZ-XJKSGUPXSA-N 0 0 318.377 0.874 10 0 DCAERN O=C([C@@H]1CCCO1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC000247800491 257117209 /nfs/dbraw/zinc/11/72/09/257117209.db2.gz VGMRSRCOMXOTLO-AWEZNQCLSA-N 0 0 315.377 0.692 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@]2(C[C@@H](Oc3ncccn3)CO2)C1 ZINC000247751899 257118551 /nfs/dbraw/zinc/11/85/51/257118551.db2.gz AZDLOXVDFFXBPC-WWGRRREGSA-N 0 0 319.361 0.794 10 0 DCAERN O=C(N1CCCO1)[C@]12CCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000247743033 257118637 /nfs/dbraw/zinc/11/86/37/257118637.db2.gz PEBQFMGQXNDNBB-WFASDCNBSA-N 0 0 322.340 0.765 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC000247486307 257119744 /nfs/dbraw/zinc/11/97/44/257119744.db2.gz AAAMKNWEIZHNLW-CHWSQXEVSA-N 0 0 314.407 0.214 10 0 DCAERN CCS(=O)(=O)NC[C@H]1CN(Cc2ccco2)Cc2ccnn21 ZINC000253489235 257105356 /nfs/dbraw/zinc/10/53/56/257105356.db2.gz DNFCXCAVARONJE-ZDUSSCGKSA-N 0 0 324.406 0.972 10 0 DCAERN Cc1cc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)no1 ZINC000071880282 184884591 /nfs/dbraw/zinc/88/45/91/184884591.db2.gz XYOGLDDYTNTADP-UHFFFAOYSA-N 0 0 302.338 0.906 10 0 DCAERN COCc1cc(N2CCC[C@H]2C(=O)NC2CC2)n2ncnc2n1 ZINC000301240668 533241978 /nfs/dbraw/zinc/24/19/78/533241978.db2.gz FXXDLIYDFYYGTL-LBPRGKRZSA-N 0 0 316.365 0.518 10 0 DCAERN COCc1csc(NC(=O)N2CCN(CCO)[C@H](C)C2)n1 ZINC000189052717 533265341 /nfs/dbraw/zinc/26/53/41/533265341.db2.gz WWZAFSSBEVZOCN-SNVBAGLBSA-N 0 0 314.411 0.820 10 0 DCAERN COCCCCS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000184607478 533271507 /nfs/dbraw/zinc/27/15/07/533271507.db2.gz OUEDKUJFRGJWPM-CYBMUJFWSA-N 0 0 317.411 0.340 10 0 DCAERN CO[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1OC ZINC000332626322 533471222 /nfs/dbraw/zinc/47/12/22/533471222.db2.gz HITSEIXDJLYGCC-RKDXNWHRSA-N 0 0 318.171 0.668 10 0 DCAERN COc1cc(C#N)ccc1CN1CCC([C@@H](O)C(N)=O)CC1 ZINC000299753558 533494705 /nfs/dbraw/zinc/49/47/05/533494705.db2.gz YPHUFGXAGGIZTP-OAHLLOKOSA-N 0 0 303.362 0.625 10 0 DCAERN COc1cccc(CS(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000299742531 533532723 /nfs/dbraw/zinc/53/27/23/533532723.db2.gz JXRWFUKGCCBXJL-PWSUYJOCSA-N 0 0 316.354 0.423 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188718644 533638223 /nfs/dbraw/zinc/63/82/23/533638223.db2.gz MEKDBDFXICHQKM-CYBMUJFWSA-N 0 0 308.378 0.599 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccn(C)c2=O)CC[N@@H+]1CC(C)(C)O ZINC000275588259 130342111 /nfs/dbraw/zinc/34/21/11/130342111.db2.gz KYJUJHPPTAJYJX-GFCCVEGCSA-N 0 0 307.394 0.303 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000275830953 130395399 /nfs/dbraw/zinc/39/53/99/130395399.db2.gz VIECMQDKYHLCMP-DGCLKSJQSA-N 0 0 304.394 0.911 10 0 DCAERN Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cnn1 ZINC000276353140 130482751 /nfs/dbraw/zinc/48/27/51/130482751.db2.gz LLPRSMUBQHPSDO-CQSZACIVSA-N 0 0 318.377 0.639 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@H]1C(N)=O ZINC000284397643 131077538 /nfs/dbraw/zinc/07/75/38/131077538.db2.gz BYFYLWAHDLZXOF-RDDDGLTNSA-N 0 0 304.318 0.707 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2cncnc2)CC(C)(C)O1 ZINC000284504169 131087443 /nfs/dbraw/zinc/08/74/43/131087443.db2.gz INDVJLLUDLLDLQ-CQSZACIVSA-N 0 0 322.409 0.561 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528818 131089863 /nfs/dbraw/zinc/08/98/63/131089863.db2.gz CIIBXGQHPYMAHN-NEPJUHHUSA-N 0 0 301.350 0.274 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284561365 131092131 /nfs/dbraw/zinc/09/21/31/131092131.db2.gz FAILUFYCJNFKKY-LLVKDONJSA-N 0 0 305.334 0.901 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284851177 131116320 /nfs/dbraw/zinc/11/63/20/131116320.db2.gz QJBQGEMJNUCEOV-UONOGXRCSA-N 0 0 307.398 0.919 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1cc2c(s1)CCOC2 ZINC000285118367 131139580 /nfs/dbraw/zinc/13/95/80/131139580.db2.gz NGFAXRFXWJPUIA-WDEREUQCSA-N 0 0 320.374 0.782 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000285139375 131142643 /nfs/dbraw/zinc/14/26/43/131142643.db2.gz YEQNFGJANUBYQR-LLVKDONJSA-N 0 0 304.350 0.603 10 0 DCAERN O=C(NC[C@H]1CC=CCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000285349682 131159865 /nfs/dbraw/zinc/15/98/65/131159865.db2.gz GKQHYAYJMCRFJY-XJKSGUPXSA-N 0 0 308.378 0.477 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2nnc(C3CCC3)[nH]2)C1 ZINC000285426715 131167490 /nfs/dbraw/zinc/16/74/90/131167490.db2.gz IGLZXENCKBOLJJ-CQSZACIVSA-N 0 0 307.354 0.384 10 0 DCAERN CCNC(=O)CN(CC(=O)NCC)Cc1ccccc1OC ZINC000047613519 285501145 /nfs/dbraw/zinc/50/11/45/285501145.db2.gz JGHFNDWNKKIJPU-UHFFFAOYSA-N 0 0 307.394 0.769 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@H](CO)c3ccccc32)C1 ZINC000293932451 131784494 /nfs/dbraw/zinc/78/44/94/131784494.db2.gz OGVCUTSZZFKQLF-CXAGYDPISA-N 0 0 318.373 0.483 10 0 DCAERN COC(=O)[C@@H](CO)NS(=O)(=O)c1cccc2ncccc21 ZINC000164201527 132131705 /nfs/dbraw/zinc/13/17/05/132131705.db2.gz IHVABSSGZRXQPM-LLVKDONJSA-N 0 0 310.331 0.047 10 0 DCAERN C[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)C[C@H](C(N)=O)O1 ZINC000122281513 132163009 /nfs/dbraw/zinc/16/30/09/132163009.db2.gz CWBQGCVEYQLAOS-VXNVDRBHSA-N 0 0 306.288 0.514 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000015116131 134522600 /nfs/dbraw/zinc/52/26/00/134522600.db2.gz RZIWTMSVPFSZDK-UHFFFAOYSA-N 0 0 307.398 0.522 10 0 DCAERN NC(=S)COc1ccccc1N1CCS(=O)(=O)CC1 ZINC000036683098 134696395 /nfs/dbraw/zinc/69/63/95/134696395.db2.gz UILJWBXKAYDBJN-UHFFFAOYSA-N 0 0 300.405 0.586 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)c2coc(Br)c2)O1 ZINC000152575323 545827767 /nfs/dbraw/zinc/82/77/67/545827767.db2.gz FDDNGKBMOUEARK-HTQZYQBOSA-N 0 0 317.139 0.805 10 0 DCAERN CN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000012529696 395687802 /nfs/dbraw/zinc/68/78/02/395687802.db2.gz GTVHJXHWYVZAKZ-JQWIXIFHSA-N 0 0 314.349 0.798 10 0 DCAERN OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@@H]1O ZINC000013542800 395688642 /nfs/dbraw/zinc/68/86/42/395688642.db2.gz XHSQDZXAVJRBMX-WISYIIOYSA-N 0 0 319.144 0.955 10 0 in-vitro DCAERN CC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000000218257 395680030 /nfs/dbraw/zinc/68/00/30/395680030.db2.gz KQLMKDLJTCZZFQ-UHFFFAOYSA-N 0 0 317.455 0.954 10 0 DCAERN O=S1(=O)CC[C@H](n2cnc(I)n2)C1 ZINC000086788922 395705189 /nfs/dbraw/zinc/70/51/89/395705189.db2.gz BXDKPOPWJBUHAG-YFKPBYRVSA-N 0 0 313.120 0.242 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1Cc2ccccc2NC(=O)C1 ZINC000087887504 395706846 /nfs/dbraw/zinc/70/68/46/395706846.db2.gz RSBXKOBSMKIYEZ-NSHDSACASA-N 0 0 308.359 0.402 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1 ZINC000089415759 395711305 /nfs/dbraw/zinc/71/13/05/395711305.db2.gz ZPTZGDPGZGWALU-WPRPVWTQSA-N 0 0 318.420 0.499 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1O ZINC000089427127 395711608 /nfs/dbraw/zinc/71/16/08/395711608.db2.gz IOKCEDWKPCQWAK-OPRDCNLKSA-N 0 0 308.300 0.627 10 0 DCAERN Cn1c2nc(CO)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000036075891 395721935 /nfs/dbraw/zinc/72/19/35/395721935.db2.gz CYHAUSVMZKOHII-UHFFFAOYSA-N 0 0 300.318 0.158 10 0 DCAERN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000027905295 395695446 /nfs/dbraw/zinc/69/54/46/395695446.db2.gz JXAVVRWLUUFSBI-GXSJLCMTSA-N 0 0 304.350 0.867 10 0 DCAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H](O)C1 ZINC000091992774 395728463 /nfs/dbraw/zinc/72/84/63/395728463.db2.gz BEPGNFVGZHBTFX-MRVPVSSYSA-N 0 0 311.139 0.699 10 0 DCAERN COC(=O)Cn1cc(NS(=O)(=O)N2CCCCCC2)cn1 ZINC000038030636 395731110 /nfs/dbraw/zinc/73/11/10/395731110.db2.gz ORBXXVPDOLIFJH-UHFFFAOYSA-N 0 0 316.383 0.589 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)[nH]1 ZINC000094154784 395740007 /nfs/dbraw/zinc/74/00/07/395740007.db2.gz IRQWZNABYCJEHL-VXGBXAGGSA-N 0 0 321.425 0.961 10 0 DCAERN C[C@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C[C@H]1O ZINC000093351239 395738439 /nfs/dbraw/zinc/73/84/39/395738439.db2.gz QOAPWLMCFSPDBL-QWHCGFSZSA-N 0 0 321.425 0.959 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000042390401 395744530 /nfs/dbraw/zinc/74/45/30/395744530.db2.gz HKZRCUCMBRSICT-UONOGXRCSA-N 0 0 321.421 0.714 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1nc2ccccc2s1 ZINC000042811303 395749103 /nfs/dbraw/zinc/74/91/03/395749103.db2.gz GJZIYNKWAOBGGZ-QMMMGPOBSA-N 0 0 304.331 0.511 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@@H](O)CO)O[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000106403187 395782597 /nfs/dbraw/zinc/78/25/97/395782597.db2.gz NKCNUNUEQRYLNZ-JARUQAPTSA-N 0 0 310.346 0.801 10 0 DCAERN O=C(CCOCC(F)(F)F)NCC(=O)NCc1ccco1 ZINC000045296320 395762132 /nfs/dbraw/zinc/76/21/32/395762132.db2.gz XYAHHXCZUCMYIU-UHFFFAOYSA-N 0 0 308.256 0.981 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H](CO)Cc2ccccc2)n1 ZINC000102034917 395768797 /nfs/dbraw/zinc/76/87/97/395768797.db2.gz JTSRQSJPSJNGDG-ZDUSSCGKSA-N 0 0 304.350 0.823 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000102102078 395769385 /nfs/dbraw/zinc/76/93/85/395769385.db2.gz UIVAWGUGFZFVEZ-CYBMUJFWSA-N 0 0 318.377 0.927 10 0 DCAERN C[C@H](C(=O)NCc1ccnn1C)N1C(=O)NC2(CCCC2)C1=O ZINC000102329444 395769728 /nfs/dbraw/zinc/76/97/28/395769728.db2.gz YJQZTTNNZZJTMW-SNVBAGLBSA-N 0 0 319.365 0.289 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000194626746 395802603 /nfs/dbraw/zinc/80/26/03/395802603.db2.gz RQXCZRUICRMBQJ-INIZCTEOSA-N 0 0 314.389 0.992 10 0 DCAERN CCc1nnc(CSc2n[nH]c(=O)n2CCCOC)n1C ZINC000194673659 395803726 /nfs/dbraw/zinc/80/37/26/395803726.db2.gz DPRCZENBXGXNHL-UHFFFAOYSA-N 0 0 312.399 0.591 10 0 DCAERN Cc1ccn(CC(=O)N[C@H](C)c2nnc3n2CCCC3)c(=O)c1 ZINC000194860291 395810471 /nfs/dbraw/zinc/81/04/71/395810471.db2.gz PAVKSGXJSVXRSL-GFCCVEGCSA-N 0 0 315.377 0.962 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 ZINC000194882512 395811256 /nfs/dbraw/zinc/81/12/56/395811256.db2.gz JPOMXWHMKMFNIY-KGLIPLIRSA-N 0 0 318.373 0.661 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ncccc1Br ZINC000194901219 395811523 /nfs/dbraw/zinc/81/15/23/395811523.db2.gz MHMOWDWKAFTCLD-SSDOTTSWSA-N 0 0 312.123 0.379 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000112649381 395820042 /nfs/dbraw/zinc/82/00/42/395820042.db2.gz RCTUVFTXVKLWEC-DGCLKSJQSA-N 0 0 312.329 0.491 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112647410 395820152 /nfs/dbraw/zinc/82/01/52/395820152.db2.gz QIMOPTGFWLDXBT-MQJDWESPSA-N 0 0 304.375 0.760 10 0 DCAERN C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)C(=O)NCc1ccco1 ZINC000195228667 395821535 /nfs/dbraw/zinc/82/15/35/395821535.db2.gz OJEQYFTUPOQFMT-JTQLQIEISA-N 0 0 318.333 0.805 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCc2nccs2)c1 ZINC000195261209 395823148 /nfs/dbraw/zinc/82/31/48/395823148.db2.gz GPVJMVWIKJYRFP-UHFFFAOYSA-N 0 0 311.388 0.763 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440601 395827283 /nfs/dbraw/zinc/82/72/83/395827283.db2.gz PZEHXAJBQOHRGS-LLVKDONJSA-N 0 0 311.407 0.920 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195438810 395827295 /nfs/dbraw/zinc/82/72/95/395827295.db2.gz XJBFTRBZBDZGKJ-JTQLQIEISA-N 0 0 310.354 0.619 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000049170089 395828841 /nfs/dbraw/zinc/82/88/41/395828841.db2.gz JZCUWVVNMYCPPM-CABCVRRESA-N 0 0 321.421 0.762 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000113298480 395829048 /nfs/dbraw/zinc/82/90/48/395829048.db2.gz VKDQQFXJFDOMJD-JTQLQIEISA-N 0 0 308.363 0.580 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000114842244 395837145 /nfs/dbraw/zinc/83/71/45/395837145.db2.gz NEEUTOGOZBMBDJ-SNVBAGLBSA-N 0 0 303.322 0.093 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116278248 395843297 /nfs/dbraw/zinc/84/32/97/395843297.db2.gz FLMCANQKJWVFJL-OAHLLOKOSA-N 0 0 305.426 0.385 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCN3CCOCC3)C2)cn1 ZINC000116416236 395843675 /nfs/dbraw/zinc/84/36/75/395843675.db2.gz PLBGRDMGLVXJGU-CYBMUJFWSA-N 0 0 307.398 0.251 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)N1CCOCC1 ZINC000116418331 395843804 /nfs/dbraw/zinc/84/38/04/395843804.db2.gz JPFPHKMQJVPMLW-ZIAGYGMSSA-N 0 0 321.425 0.640 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116833724 395846977 /nfs/dbraw/zinc/84/69/77/395846977.db2.gz FIHAGGFORPFBDZ-GFCCVEGCSA-N 0 0 312.391 0.388 10 0 DCAERN NS(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000116884302 395848003 /nfs/dbraw/zinc/84/80/03/395848003.db2.gz PNYDNHVFMYKVHP-MRVPVSSYSA-N 0 0 305.787 0.388 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCOC)C[C@H]1CC ZINC000116899156 395848541 /nfs/dbraw/zinc/84/85/41/395848541.db2.gz ZHWGJIAYSGNICE-CQSZACIVSA-N 0 0 322.471 0.785 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000116904479 395849801 /nfs/dbraw/zinc/84/98/01/395849801.db2.gz IQFBQIXAMQRHBK-GFCCVEGCSA-N 0 0 318.420 0.140 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116982027 395850773 /nfs/dbraw/zinc/85/07/73/395850773.db2.gz RHSSZVPRPFATLE-ZDUSSCGKSA-N 0 0 310.375 0.653 10 0 DCAERN CN(C[C@H](O)CO)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000271304091 395856284 /nfs/dbraw/zinc/85/62/84/395856284.db2.gz SZNRDGZYUQIBEA-AVGNSLFASA-N 0 0 307.346 0.373 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)CNC(=O)c1ccccc1C ZINC000194331164 395794362 /nfs/dbraw/zinc/79/43/62/395794362.db2.gz FAXRXTHSXXDOLT-CQSZACIVSA-N 0 0 317.389 0.852 10 0 DCAERN CC(C)NC(=O)CN(CC(=O)NC(C)C)Cc1ccnn1C ZINC000047614481 395797049 /nfs/dbraw/zinc/79/70/49/395797049.db2.gz ITHVPAGYOKJCML-UHFFFAOYSA-N 0 0 309.414 0.271 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264585 395797426 /nfs/dbraw/zinc/79/74/26/395797426.db2.gz PXDQYKKVLOUFKI-HNNXBMFYSA-N 0 0 306.362 0.715 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000194477643 395798149 /nfs/dbraw/zinc/79/81/49/395798149.db2.gz KOJOSPVRDFTWSV-WDEREUQCSA-N 0 0 321.381 0.320 10 0 DCAERN C[Si](C)(C)c1ccc(Cn2nc(C(N)=O)ccc2=O)cc1 ZINC000194604417 395801371 /nfs/dbraw/zinc/80/13/71/395801371.db2.gz NZAUKTMWKONZIC-UHFFFAOYSA-N 0 0 301.422 0.936 10 0 DCAERN CC[S@](=O)c1ccccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194615599 395801690 /nfs/dbraw/zinc/80/16/90/395801690.db2.gz CJIMGCZDBSLQDU-QKVFXAPYSA-N 0 0 310.419 0.875 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CC(CO)C1)c1ccc(F)cc1F ZINC000122495040 395887356 /nfs/dbraw/zinc/88/73/56/395887356.db2.gz OPAAKDPNANUTMF-CQSZACIVSA-N 0 0 312.316 0.983 10 0 DCAERN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CC(CO)C2)C1 ZINC000122718286 395889140 /nfs/dbraw/zinc/88/91/40/395889140.db2.gz FQMOYKRXBWVAII-INIZCTEOSA-N 0 0 316.401 0.918 10 0 DCAERN Cn1c2cccc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2oc1=O ZINC000122928987 395890497 /nfs/dbraw/zinc/89/04/97/395890497.db2.gz RFNKKNYZBVPEHT-VIFPVBQESA-N 0 0 303.318 0.482 10 0 DCAERN C[C@]1(O)CCN(c2nc[n-]c(=O)c2I)C1 ZINC000235781963 395893029 /nfs/dbraw/zinc/89/30/29/395893029.db2.gz XVJROLSHJYQIDX-VIFPVBQESA-N 0 0 321.118 0.336 10 0 DCAERN COCC(=O)N1CCN(C(=O)NCc2cccc(C)n2)CC1 ZINC000123910255 395898629 /nfs/dbraw/zinc/89/86/29/395898629.db2.gz IPRQMIWWGIBLGX-UHFFFAOYSA-N 0 0 306.366 0.390 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000123961552 395899048 /nfs/dbraw/zinc/89/90/48/395899048.db2.gz VNYJWACWENQAEP-LBPRGKRZSA-N 0 0 313.357 0.900 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000054769606 395905333 /nfs/dbraw/zinc/90/53/33/395905333.db2.gz SAHWRPVMAHSQNK-CMPLNLGQSA-N 0 0 312.391 0.938 10 0 DCAERN C[C@@H](NC(=O)[C@H]1COCCN1)c1noc(Cc2ccccc2)n1 ZINC000237444217 395912559 /nfs/dbraw/zinc/91/25/59/395912559.db2.gz WLBNVFCYWSROSB-DGCLKSJQSA-N 0 0 316.361 0.826 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N(C)CC(=O)NC(C)(C)C ZINC000127059696 395914525 /nfs/dbraw/zinc/91/45/25/395914525.db2.gz KYQHUXMOXVZXFL-LBPRGKRZSA-N 0 0 301.431 0.764 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN1CCCC1=O ZINC000055815685 395922161 /nfs/dbraw/zinc/92/21/61/395922161.db2.gz XUKVUFFDQJFWDH-CHWSQXEVSA-N 0 0 309.410 0.761 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000052291994 395861711 /nfs/dbraw/zinc/86/17/11/395861711.db2.gz JFIJSBLFNHNYEZ-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000225685876 395862374 /nfs/dbraw/zinc/86/23/74/395862374.db2.gz BTYDBSPVJCFCOW-QWHCGFSZSA-N 0 0 303.355 0.910 10 0 DCAERN CC[C@@H](O)CN(CC(=O)N[C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000245396449 395927614 /nfs/dbraw/zinc/92/76/14/395927614.db2.gz LHJCFYGRNINSRO-UKRRQHHQSA-N 0 0 321.421 0.857 10 0 DCAERN CNC(=O)Cn1cc(NCCCNC(=O)OC(C)(C)C)cn1 ZINC000227409496 395868778 /nfs/dbraw/zinc/86/87/78/395868778.db2.gz REDVXYPZYDEXPY-UHFFFAOYSA-N 0 0 311.386 0.956 10 0 DCAERN C[C@@H](NC(=O)CN1CCCC1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000052754513 395869505 /nfs/dbraw/zinc/86/95/05/395869505.db2.gz WMSSOSQVUVANQH-LLVKDONJSA-N 0 0 324.402 0.890 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000119624536 395873225 /nfs/dbraw/zinc/87/32/25/395873225.db2.gz OCGULNUQYFDWGA-LSDHHAIUSA-N 0 0 307.394 0.658 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000119740776 395875054 /nfs/dbraw/zinc/87/50/54/395875054.db2.gz OIXWGZWXVCYDTC-MWLCHTKSSA-N 0 0 304.350 0.903 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2ccc(C)nc2C)CC1 ZINC000053080013 395876417 /nfs/dbraw/zinc/87/64/17/395876417.db2.gz LFSJBBNVPQQWDG-UHFFFAOYSA-N 0 0 304.394 0.592 10 0 DCAERN Cc1oc(C(=O)NCC[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC000230169080 395878866 /nfs/dbraw/zinc/87/88/66/395878866.db2.gz BKYDZKHJUJNXFK-SECBINFHSA-N 0 0 302.352 0.392 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c1 ZINC000053382734 395881569 /nfs/dbraw/zinc/88/15/69/395881569.db2.gz OHSVFEVLWNZBPS-KBPBESRZSA-N 0 0 324.402 0.988 10 0 DCAERN O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCCN(c2ncccn2)C1 ZINC000272359832 395886335 /nfs/dbraw/zinc/88/63/35/395886335.db2.gz YPLGCYGXSPQMJD-NEPJUHHUSA-N 0 0 301.350 0.872 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC000134492353 395931739 /nfs/dbraw/zinc/93/17/39/395931739.db2.gz FDYILWCSKUBZCA-CABZTGNLSA-N 0 0 304.350 0.482 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000245606567 395933381 /nfs/dbraw/zinc/93/33/81/395933381.db2.gz KEXKNJMWVIMMHX-CHWSQXEVSA-N 0 0 300.380 0.057 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NCc1cccnc1 ZINC000248859937 395998727 /nfs/dbraw/zinc/99/87/27/395998727.db2.gz RXSFSLLTNZOVFM-DZKIICNBSA-N 0 0 317.389 0.971 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccccc2N)CCS1(=O)=O ZINC000274305713 395938002 /nfs/dbraw/zinc/93/80/02/395938002.db2.gz CBFCKLKOVOMVRD-VIFPVBQESA-N 0 0 304.393 0.076 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000246080624 395940772 /nfs/dbraw/zinc/94/07/72/395940772.db2.gz GRERGURJMUMUGV-NWDGAFQWSA-N 0 0 316.427 0.362 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000246100885 395941398 /nfs/dbraw/zinc/94/13/98/395941398.db2.gz MEDBJLVUWSWRLY-QWRGUYRKSA-N 0 0 304.437 0.824 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000246259747 395945547 /nfs/dbraw/zinc/94/55/47/395945547.db2.gz PTRSWODQYOTRCB-MNOVXSKESA-N 0 0 311.407 0.600 10 0 DCAERN CCOc1ccc(CCNC(=O)CNC(N)=O)cc1OCC ZINC000058177420 395951490 /nfs/dbraw/zinc/95/14/90/395951490.db2.gz WBBCTRMYZCGYOO-UHFFFAOYSA-N 0 0 309.366 0.811 10 0 DCAERN C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246590113 395953424 /nfs/dbraw/zinc/95/34/24/395953424.db2.gz SZJYRHJAUSUSGC-BZPMIXESSA-N 0 0 311.426 0.741 10 0 DCAERN CCCCN(C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246622165 395954139 /nfs/dbraw/zinc/95/41/39/395954139.db2.gz XYWADNSAUMDYLF-KGLIPLIRSA-N 0 0 319.471 0.616 10 0 DCAERN COC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246655859 395954985 /nfs/dbraw/zinc/95/49/85/395954985.db2.gz GDSNVVIXEIOSOC-CHWSQXEVSA-N 0 0 312.391 0.524 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921766 396000342 /nfs/dbraw/zinc/00/03/42/396000342.db2.gz FGCFMWQPOJWDSO-ZFWWWQNUSA-N 0 0 306.366 0.017 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000060637091 395963449 /nfs/dbraw/zinc/96/34/49/395963449.db2.gz ZKPOTLUACHIIOJ-CYBMUJFWSA-N 0 0 300.322 0.612 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC1CCN(CC(F)F)CC1 ZINC000061647170 395969543 /nfs/dbraw/zinc/96/95/43/395969543.db2.gz WJYUKTVUWMSJPV-LBPRGKRZSA-N 0 0 303.353 0.843 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1C ZINC000247254909 395970388 /nfs/dbraw/zinc/97/03/88/395970388.db2.gz XYSZHTAOACCWCX-CYBMUJFWSA-N 0 0 313.423 0.813 10 0 DCAERN C[C@H](O)[C@](C)(CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000248997007 396000878 /nfs/dbraw/zinc/00/08/78/396000878.db2.gz KFUMTJVKLRNKBG-JDFRZJQESA-N 0 0 304.390 0.869 10 0 DCAERN Cc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(N)=O)C2=O)cc1 ZINC000150887479 395974439 /nfs/dbraw/zinc/97/44/39/395974439.db2.gz QOQXQCNLROMJGE-PWSUYJOCSA-N 0 0 304.350 0.273 10 0 DCAERN O=C(CN1CCO[C@@H]2CCCC[C@H]21)N1CCC2(CC1)OCCO2 ZINC000063567778 395979348 /nfs/dbraw/zinc/97/93/48/395979348.db2.gz GQGBOYHFENWZRO-HUUCEWRRSA-N 0 0 324.421 0.995 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCC3(CO)COC3)CC2=O)cc1 ZINC000151152398 395980579 /nfs/dbraw/zinc/98/05/79/395980579.db2.gz PFVGETWFHJDBRA-ZDUSSCGKSA-N 0 0 318.373 0.473 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000151258578 395982730 /nfs/dbraw/zinc/98/27/30/395982730.db2.gz RUIXKOSYKNSAOW-NSHDSACASA-N 0 0 301.350 0.804 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000248534689 395989299 /nfs/dbraw/zinc/98/92/99/395989299.db2.gz JOYREKFFHCNRGT-ZDEQEGDKSA-N 0 0 318.439 0.873 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000276280870 395989800 /nfs/dbraw/zinc/98/98/00/395989800.db2.gz HTWMOGLUZMFDNS-LLVKDONJSA-N 0 0 322.745 0.090 10 0 DCAERN Cn1cc(CNC(=O)N[C@H]2CCN(C)C2=O)c(C(F)(F)F)n1 ZINC000151705998 395990534 /nfs/dbraw/zinc/99/05/34/395990534.db2.gz CTTBILKIRWLXBU-QMMMGPOBSA-N 0 0 319.287 0.469 10 0 DCAERN Cc1ccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)s1 ZINC000065268412 395992107 /nfs/dbraw/zinc/99/21/07/395992107.db2.gz OFYMCKSDZGEAPU-UHFFFAOYSA-N 0 0 303.409 0.454 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000276424471 395995458 /nfs/dbraw/zinc/99/54/58/395995458.db2.gz CHRSQIZOJZZSML-LBPRGKRZSA-N 0 0 313.151 0.511 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCC[C@H]3C)[C@@H]2C1 ZINC000248699785 395995681 /nfs/dbraw/zinc/99/56/81/395995681.db2.gz KSIUXRUKXWBKSQ-SYQHCUMBSA-N 0 0 318.439 0.984 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151907637 395995792 /nfs/dbraw/zinc/99/57/92/395995792.db2.gz BLSBLVWMTVMBCX-UHFFFAOYSA-N 0 0 323.378 0.672 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000151892874 395995843 /nfs/dbraw/zinc/99/58/43/395995843.db2.gz KBDRMALFPPHGQC-LBPRGKRZSA-N 0 0 302.338 0.762 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnn(C)c1N ZINC000248765581 395997075 /nfs/dbraw/zinc/99/70/75/395997075.db2.gz ZLEVMBBWAUVMOW-WCQGTBRESA-N 0 0 306.366 0.949 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)nn1 ZINC000151988906 395997217 /nfs/dbraw/zinc/99/72/17/395997217.db2.gz BEPLDTKVUDYRGE-CQSZACIVSA-N 0 0 321.425 0.917 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@]3(O)CCSC3)CCO2)cn1 ZINC000276832729 396030925 /nfs/dbraw/zinc/03/09/25/396030925.db2.gz LBKQYWKIUNPNLZ-TZMCWYRMSA-N 0 0 311.407 0.671 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cnn1C ZINC000154090227 396031360 /nfs/dbraw/zinc/03/13/60/396031360.db2.gz KDGBJGPZCPHJGM-LBPRGKRZSA-N 0 0 302.382 0.861 10 0 DCAERN O=C(CSc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000154142216 396033114 /nfs/dbraw/zinc/03/31/14/396033114.db2.gz DMHYMFDVQWECRL-CYBMUJFWSA-N 0 0 310.419 0.588 10 0 DCAERN COC(=O)c1sccc1CN1CCN(S(C)(=O)=O)CC1 ZINC000154235224 396034078 /nfs/dbraw/zinc/03/40/78/396034078.db2.gz IDALBHVSZFEJGK-UHFFFAOYSA-N 0 0 318.420 0.612 10 0 DCAERN CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000068080029 396044516 /nfs/dbraw/zinc/04/45/16/396044516.db2.gz DZPDBSXYGCOQSV-SECBINFHSA-N 0 0 319.365 0.484 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000155279833 396049428 /nfs/dbraw/zinc/04/94/28/396049428.db2.gz VTQWRCIECLNAEC-GHMZBOCLSA-N 0 0 314.407 0.989 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000155511307 396053164 /nfs/dbraw/zinc/05/31/64/396053164.db2.gz PMVWQSOZBSGGTN-NSHDSACASA-N 0 0 324.402 0.947 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1cn(-c2ccccc2)nn1 ZINC000155963489 396060332 /nfs/dbraw/zinc/06/03/32/396060332.db2.gz YGPWIHIPPAANOO-NWDGAFQWSA-N 0 0 313.361 0.923 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000159255457 396066809 /nfs/dbraw/zinc/06/68/09/396066809.db2.gz YDVRMSAUFRXYES-SNVBAGLBSA-N 0 0 316.365 0.285 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1Cl)N1C[C@@H](O)C[C@@H]1CO ZINC000249269996 396005245 /nfs/dbraw/zinc/00/52/45/396005245.db2.gz AMBYORHASLTRNC-RTXFEEFZSA-N 0 0 312.797 0.772 10 0 DCAERN COC(=O)CCCCNC(=O)NCC(=O)NCC(F)(F)F ZINC000069121588 396070287 /nfs/dbraw/zinc/07/02/87/396070287.db2.gz OLEMCXWSIZCQAF-UHFFFAOYSA-N 0 0 313.276 0.307 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2C[C@H]3CCC[C@@H]3C2)C1=O ZINC000152510446 396011550 /nfs/dbraw/zinc/01/15/50/396011550.db2.gz KJUSPPRSNYVUAZ-GLKRBJQHSA-N 0 0 305.378 0.965 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276589411 396013412 /nfs/dbraw/zinc/01/34/12/396013412.db2.gz OELJWONZGFERKN-MELADBBJSA-N 0 0 303.362 0.944 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000250010095 396013762 /nfs/dbraw/zinc/01/37/62/396013762.db2.gz UTYHTAOQOZEDDA-NEPJUHHUSA-N 0 0 320.411 0.370 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@H](C)O1 ZINC000252060907 396018998 /nfs/dbraw/zinc/01/89/98/396018998.db2.gz ZVQHAIYTTOGDEL-SRVKXCTJSA-N 0 0 309.370 0.038 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)CCn1cncn1 ZINC000261990671 396087617 /nfs/dbraw/zinc/08/76/17/396087617.db2.gz OZDUMHJXTHYDAQ-CQSZACIVSA-N 0 0 315.377 0.850 10 0 DCAERN CCOC(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)C(C)C ZINC000167357771 396089847 /nfs/dbraw/zinc/08/98/47/396089847.db2.gz UXFMAMCNNREADS-ZDUSSCGKSA-N 0 0 315.414 0.690 10 0 DCAERN Cc1ccc(C[C@H]([NH3+])[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319113 396090402 /nfs/dbraw/zinc/09/04/02/396090402.db2.gz KECAWAXFNFZHBY-KKUMJFAQSA-N 0 0 322.405 0.841 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1nc(C)no1 ZINC000169791153 396093356 /nfs/dbraw/zinc/09/33/56/396093356.db2.gz CGGZIFONPMYXDQ-VXGBXAGGSA-N 0 0 322.365 0.093 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000170850863 396098518 /nfs/dbraw/zinc/09/85/18/396098518.db2.gz SXGIGBCPKOSQBT-CQSZACIVSA-N 0 0 305.378 0.449 10 0 DCAERN CNC(=O)CCN(C)C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000170816279 396098725 /nfs/dbraw/zinc/09/87/25/396098725.db2.gz SPTICDJLFDOOJO-CQSZACIVSA-N 0 0 305.378 0.848 10 0 DCAERN COc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000170921281 396101736 /nfs/dbraw/zinc/10/17/36/396101736.db2.gz PHJNDVJFNMMOQO-GFCCVEGCSA-N 0 0 311.357 0.964 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)NC3CCOCC3)C2)no1 ZINC000171139012 396109073 /nfs/dbraw/zinc/10/90/73/396109073.db2.gz KEFYELRGDOQPHT-ZDUSSCGKSA-N 0 0 322.409 0.928 10 0 DCAERN O=C(NCCc1cccnc1)N1CCN(c2cccnn2)CC1 ZINC000171182682 396110182 /nfs/dbraw/zinc/11/01/82/396110182.db2.gz RUWGGLQHGTXNBF-UHFFFAOYSA-N 0 0 312.377 0.946 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN1CCN(c2cccnn2)CC1 ZINC000171350845 396114162 /nfs/dbraw/zinc/11/41/62/396114162.db2.gz RIAUUDQALNNZDS-CQSZACIVSA-N 0 0 303.410 1.000 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3ccsc3)CC2)no1 ZINC000262251188 396115162 /nfs/dbraw/zinc/11/51/62/396115162.db2.gz QAUKKLFBSMIDQX-UHFFFAOYSA-N 0 0 307.379 0.548 10 0 DCAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171459262 396117872 /nfs/dbraw/zinc/11/78/72/396117872.db2.gz SFRPIANNVURFFJ-VXGBXAGGSA-N 0 0 323.397 0.788 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CCS1 ZINC000171575684 396118456 /nfs/dbraw/zinc/11/84/56/396118456.db2.gz AKZNCLBJLBCPOB-WDEREUQCSA-N 0 0 306.453 0.764 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)N2CCN(C3CC3)CC2)c1 ZINC000171680302 396122613 /nfs/dbraw/zinc/12/26/13/396122613.db2.gz LONSPOGWDXCNQJ-UHFFFAOYSA-N 0 0 316.405 0.818 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@](C)(O)C3)C2)n(C)n1 ZINC000278437537 396124880 /nfs/dbraw/zinc/12/48/80/396124880.db2.gz VDXIAOMSFPMHCZ-CJNGLKHVSA-N 0 0 321.425 0.864 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cncc(O)c3)CCO2)c1 ZINC000171845658 396125916 /nfs/dbraw/zinc/12/59/16/396125916.db2.gz GRCWCDCTQJQFFP-AWEZNQCLSA-N 0 0 302.334 0.833 10 0 DCAERN CC(=O)NC[C@@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000172185038 396129633 /nfs/dbraw/zinc/12/96/33/396129633.db2.gz HPFOFWMEWJCUDE-DOTOQJQBSA-N 0 0 322.405 0.572 10 0 DCAERN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccon1)N1CCCC1 ZINC000072534425 396131468 /nfs/dbraw/zinc/13/14/68/396131468.db2.gz GHCXMLWFHLIQCX-GFCCVEGCSA-N 0 0 307.350 0.918 10 0 DCAERN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cnns1)N1CCCC1 ZINC000072534244 396131617 /nfs/dbraw/zinc/13/16/17/396131617.db2.gz OHBNHSRTAJSTPO-NSHDSACASA-N 0 0 324.406 0.782 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278960497 396143574 /nfs/dbraw/zinc/14/35/74/396143574.db2.gz NLCNGFZFQNCIPL-ZUZCIYMTSA-N 0 0 321.402 0.605 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000278658866 396137909 /nfs/dbraw/zinc/13/79/09/396137909.db2.gz RVRIHOVOVBTZKO-CQSZACIVSA-N 0 0 320.393 0.369 10 0 DCAERN CC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000174625077 396138507 /nfs/dbraw/zinc/13/85/07/396138507.db2.gz RPPTVEOFTVDXOS-OLZOCXBDSA-N 0 0 320.455 0.115 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000278673704 396138635 /nfs/dbraw/zinc/13/86/35/396138635.db2.gz TUBKHGMXZRMRKY-STQMWFEESA-N 0 0 304.394 0.995 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000162403142 396081288 /nfs/dbraw/zinc/08/12/88/396081288.db2.gz AJLFNIIJSHAKLV-UHFFFAOYSA-N 0 0 304.394 0.824 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1)C(F)(F)F ZINC000261949023 396082556 /nfs/dbraw/zinc/08/25/56/396082556.db2.gz JXZBZLZLADWPFA-PWSUYJOCSA-N 0 0 323.359 0.835 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccccc2N)C[C@H](CO)O1 ZINC000162873249 396083915 /nfs/dbraw/zinc/08/39/15/396083915.db2.gz GUHYHWIZNYMDMW-SNVBAGLBSA-N 0 0 300.380 0.429 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3(O)CCCC3)C2=O)n(C)n1 ZINC000175976613 396147776 /nfs/dbraw/zinc/14/77/76/396147776.db2.gz UPULPHRKAUXUQB-LBPRGKRZSA-N 0 0 320.393 0.645 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000176136886 396150485 /nfs/dbraw/zinc/15/04/85/396150485.db2.gz CWIKTFIPYVGSEY-JTQLQIEISA-N 0 0 307.272 0.776 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)NCC(=O)N(C)C)C1 ZINC000176416442 396154713 /nfs/dbraw/zinc/15/47/13/396154713.db2.gz NXGVSDNAWFGHLZ-GFCCVEGCSA-N 0 0 320.393 0.661 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000176550072 396156492 /nfs/dbraw/zinc/15/64/92/396156492.db2.gz DJWZMSQPRJROEC-LBPRGKRZSA-N 0 0 322.340 0.237 10 0 DCAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)CCc1ccccc1O ZINC000176569211 396157342 /nfs/dbraw/zinc/15/73/42/396157342.db2.gz HSQRFXZXVYJAGN-OAHLLOKOSA-N 0 0 322.405 0.476 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000176803894 396160812 /nfs/dbraw/zinc/16/08/12/396160812.db2.gz VBKKTJOEOKTXCU-VXGBXAGGSA-N 0 0 318.439 0.527 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000177059129 396165033 /nfs/dbraw/zinc/16/50/33/396165033.db2.gz XBNSGOIMLAKCTL-WCQYABFASA-N 0 0 306.428 0.325 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)NCC2(C)CCC2)cn1 ZINC000177092250 396166331 /nfs/dbraw/zinc/16/63/31/396166331.db2.gz QAJJNJCRDCWILM-UHFFFAOYSA-N 0 0 323.397 0.957 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cnn2ccc(C)nc12 ZINC000074596351 396168902 /nfs/dbraw/zinc/16/89/02/396168902.db2.gz HRPJSGWAYQQVBD-NSHDSACASA-N 0 0 324.406 0.933 10 0 DCAERN C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)C[C@@H]1N1CCOCC1 ZINC000177272983 396170999 /nfs/dbraw/zinc/17/09/99/396170999.db2.gz ZFGMFSJFIDYFBE-HOCLYGCPSA-N 0 0 321.421 0.891 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CC[C@](O)(C(F)(F)F)C1 ZINC000177305609 396171718 /nfs/dbraw/zinc/17/17/18/396171718.db2.gz JMXFURMAZUFYDY-GZMMTYOYSA-N 0 0 319.287 0.822 10 0 DCAERN COC(=O)Cn1cc(NC(=O)[C@H]2CCCc3n[nH]cc32)cn1 ZINC000177409413 396174380 /nfs/dbraw/zinc/17/43/80/396174380.db2.gz YTFYXDUVNXMXDN-JTQLQIEISA-N 0 0 303.322 0.838 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H]1Cn1ccnc1 ZINC000177536610 396177823 /nfs/dbraw/zinc/17/78/23/396177823.db2.gz RJDSYVCPBTULNW-STQMWFEESA-N 0 0 315.381 0.664 10 0 DCAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625010 396180095 /nfs/dbraw/zinc/18/00/95/396180095.db2.gz YCKUPISNMBEVSA-SNVBAGLBSA-N 0 0 321.287 0.626 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H]1C ZINC000075531242 396180984 /nfs/dbraw/zinc/18/09/84/396180984.db2.gz UBWUNEPFPQIWSP-ATZCPNFKSA-N 0 0 307.375 0.638 10 0 DCAERN CC(C)C(=O)NC1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263052536 396200036 /nfs/dbraw/zinc/20/00/36/396200036.db2.gz UQEVHJYVLIORGS-LLVKDONJSA-N 0 0 303.353 0.747 10 0 DCAERN COc1ccccc1[C@H](O)CNS(=O)(=O)c1cnn(C)c1 ZINC000178599130 396200232 /nfs/dbraw/zinc/20/02/32/396200232.db2.gz YMFCTFBEEJZGDY-GFCCVEGCSA-N 0 0 311.363 0.441 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2cccnc2)cn1C ZINC000180968988 396236432 /nfs/dbraw/zinc/23/64/32/396236432.db2.gz QJXJYUSUFUQWCV-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)[C@H](C)CO ZINC000181256898 396237967 /nfs/dbraw/zinc/23/79/67/396237967.db2.gz MWUNQJGUQRDKHF-NXEZZACHSA-N 0 0 317.411 0.022 10 0 DCAERN CC[C@@H](CSC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000181234274 396237983 /nfs/dbraw/zinc/23/79/83/396237983.db2.gz RTJLMWLKGONJBT-JTQLQIEISA-N 0 0 321.402 0.948 10 0 DCAERN CCCCN(CCCO)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000181523806 396239800 /nfs/dbraw/zinc/23/98/00/396239800.db2.gz LNZGLCZSRWUDBJ-CHWSQXEVSA-N 0 0 308.444 0.825 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H](C)C[S@](C)=O)cnc12 ZINC000181700236 396241462 /nfs/dbraw/zinc/24/14/62/396241462.db2.gz AJMBQIYKLMTHPO-UZJPJQLHSA-N 0 0 307.375 0.500 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCc1nccn1CC(C)C ZINC000182413566 396250811 /nfs/dbraw/zinc/25/08/11/396250811.db2.gz VQPFKVMGISDBTE-UHFFFAOYSA-N 0 0 317.411 0.912 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000182481235 396251595 /nfs/dbraw/zinc/25/15/95/396251595.db2.gz QHHGCBLJNKPRIB-ZDUSSCGKSA-N 0 0 322.413 0.759 10 0 DCAERN O=C(NCCc1nnc[nH]1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000080584947 396282289 /nfs/dbraw/zinc/28/22/89/396282289.db2.gz YVMKQXROEHFJLW-UHFFFAOYSA-N 0 0 301.228 0.484 10 0 DCAERN CN1CCCc2cc(NC(=O)N[C@@H]3CCC(=O)NC3=O)ccc21 ZINC000183040965 396259161 /nfs/dbraw/zinc/25/91/61/396259161.db2.gz QJCRXOPABLNLMK-GFCCVEGCSA-N 0 0 316.361 0.996 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1=O ZINC000079061100 396260771 /nfs/dbraw/zinc/26/07/71/396260771.db2.gz MQZWZQRKKJVVFH-UZWSLXQKSA-N 0 0 320.393 0.058 10 0 DCAERN COc1ccsc1S(=O)(=O)NCCCn1ccnn1 ZINC000183158552 396262856 /nfs/dbraw/zinc/26/28/56/396262856.db2.gz HFBQASIAFMDJGR-UHFFFAOYSA-N 0 0 302.381 0.717 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(CCO)CC1)C(C)C ZINC000079833550 396270803 /nfs/dbraw/zinc/27/08/03/396270803.db2.gz LCRGTSKULOTVDA-HNNXBMFYSA-N 0 0 313.442 0.310 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Cc1ccn(C)n1)CC2 ZINC000183714187 396273718 /nfs/dbraw/zinc/27/37/18/396273718.db2.gz GQHDVXJIRHHBAG-GFCCVEGCSA-N 0 0 302.382 0.809 10 0 DCAERN C[C@](O)(CNC(=O)c1cc(F)ccc1O)CN1CCOCC1 ZINC000080035502 396274502 /nfs/dbraw/zinc/27/45/02/396274502.db2.gz JYXOXQVQUABFHM-HNNXBMFYSA-N 0 0 312.341 0.344 10 0 DCAERN CN(C(=O)NCC(=O)NCC1CC1)[C@@H]1CCCc2c1cnn2C ZINC000183801252 396275118 /nfs/dbraw/zinc/27/51/18/396275118.db2.gz ACVNGBRRGBMWAX-CYBMUJFWSA-N 0 0 319.409 0.965 10 0 DCAERN O=C(NCC(F)(F)CO)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000183890882 396277466 /nfs/dbraw/zinc/27/74/66/396277466.db2.gz ZKPWPWQKBHYIMR-JTQLQIEISA-N 0 0 322.377 0.822 10 0 DCAERN Cn1ncnc1NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183934975 396278311 /nfs/dbraw/zinc/27/83/11/396278311.db2.gz LUHHSJXCXIECBD-NSHDSACASA-N 0 0 315.337 0.527 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CCOC3)CC2=O)cc1 ZINC000178944107 396216095 /nfs/dbraw/zinc/21/60/95/396216095.db2.gz DNPOMEXVIHABBB-GUYCJALGSA-N 0 0 318.373 0.616 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCN(C)C3=O)no2)c1 ZINC000178945889 396216151 /nfs/dbraw/zinc/21/61/51/396216151.db2.gz GLEYBJZUFIAAPQ-NSHDSACASA-N 0 0 303.322 0.188 10 0 DCAERN Cn1cc(OC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000179023541 396218631 /nfs/dbraw/zinc/21/86/31/396218631.db2.gz MACDZWFILNNMSJ-JSGCOSHPSA-N 0 0 300.318 0.940 10 0 DCAERN CCc1ccc(S(=O)(=O)NCC(=O)NCCOC)s1 ZINC000077606664 396227525 /nfs/dbraw/zinc/22/75/25/396227525.db2.gz IUAGYKXYXOOYNJ-UHFFFAOYSA-N 0 0 306.409 0.351 10 0 DCAERN CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000077778119 396232571 /nfs/dbraw/zinc/23/25/71/396232571.db2.gz VPVNCGYKPSHJSE-CHWSQXEVSA-N 0 0 307.398 0.906 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000077776165 396232944 /nfs/dbraw/zinc/23/29/44/396232944.db2.gz ZXXZPHVXHUYYCR-QWRGUYRKSA-N 0 0 314.407 0.906 10 0 DCAERN CCC(CC)[C@H](C(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000184992743 396313181 /nfs/dbraw/zinc/31/31/81/396313181.db2.gz CGBNHXLFXOWWLI-OAHLLOKOSA-N 0 0 323.441 0.921 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000185001192 396313523 /nfs/dbraw/zinc/31/35/23/396313523.db2.gz RWMDTJNCUXVRGQ-WCQYABFASA-N 0 0 303.428 0.168 10 0 DCAERN Cc1cnc([C@@H](C)NCC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000185008445 396314140 /nfs/dbraw/zinc/31/41/40/396314140.db2.gz KXXILQQOECENCN-MNOVXSKESA-N 0 0 310.423 0.826 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc[nH]c(=O)c1 ZINC000185032631 396315359 /nfs/dbraw/zinc/31/53/59/396315359.db2.gz DMWNFSPTLVCWII-ZDUSSCGKSA-N 0 0 312.329 0.695 10 0 DCAERN Cc1cc(N2CCC(NC(=O)[C@]3(C)CCC(=O)NC3)CC2)n[nH]1 ZINC000282393712 396287275 /nfs/dbraw/zinc/28/72/75/396287275.db2.gz PXYPQGPRUXNXKK-MRXNPFEDSA-N 0 0 319.409 0.719 10 0 DCAERN O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N1CC(CO)C1 ZINC000184228014 396288620 /nfs/dbraw/zinc/28/86/20/396288620.db2.gz HWDFXQBKPLHQDV-OAHLLOKOSA-N 0 0 308.353 0.650 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000282436073 396290161 /nfs/dbraw/zinc/29/01/61/396290161.db2.gz SASPVFDHVSSCEZ-ZZVYKPCYSA-N 0 0 321.377 0.908 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000184646801 396300939 /nfs/dbraw/zinc/30/09/39/396300939.db2.gz POPZAFLZLPECNJ-LBPRGKRZSA-N 0 0 302.400 0.671 10 0 DCAERN COCCn1c(C)cc(C(=O)CN2C[C@@H](O)C[C@@H]2CO)c1C ZINC000184729616 396303201 /nfs/dbraw/zinc/30/32/01/396303201.db2.gz ZRGQJGIZYISZQN-KGLIPLIRSA-N 0 0 310.394 0.362 10 0 DCAERN NC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000081539584 396304664 /nfs/dbraw/zinc/30/46/64/396304664.db2.gz HAIPBVPGVIMOLD-UHFFFAOYSA-N 0 0 323.422 0.703 10 0 DCAERN Cc1ccc(CCC(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000081824416 396309299 /nfs/dbraw/zinc/30/92/99/396309299.db2.gz MLYAMBYKQHWLTA-UHFFFAOYSA-N 0 0 300.380 0.624 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185238534 396322359 /nfs/dbraw/zinc/32/23/59/396322359.db2.gz JCBQQDTXWDDHOY-LBPRGKRZSA-N 0 0 309.410 0.618 10 0 DCAERN Cc1ccc(CS(=O)(=O)C[C@H](O)Cn2cccn2)c(C)n1 ZINC000185243367 396323295 /nfs/dbraw/zinc/32/32/95/396323295.db2.gz SGVSYQOLKQKFHV-CQSZACIVSA-N 0 0 309.391 0.871 10 0 DCAERN COc1ccnc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185258038 396323304 /nfs/dbraw/zinc/32/33/04/396323304.db2.gz SQXLYJSZGGBNKN-UHFFFAOYSA-N 0 0 319.369 0.256 10 0 DCAERN Cn1nc(C(=O)NC[C@H]2CN(C)CCO2)cc1OC(F)F ZINC000185343530 396325226 /nfs/dbraw/zinc/32/52/26/396325226.db2.gz MGDULUAUKMWLNB-QMMMGPOBSA-N 0 0 304.297 0.082 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000185382980 396326696 /nfs/dbraw/zinc/32/66/96/396326696.db2.gz CNOMPFLEXYMORH-ZDUSSCGKSA-N 0 0 316.427 0.747 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000185398057 396326919 /nfs/dbraw/zinc/32/69/19/396326919.db2.gz LEDWLKOIBUFZLT-UHOOHFNOSA-N 0 0 307.398 0.782 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000185513675 396329483 /nfs/dbraw/zinc/32/94/83/396329483.db2.gz DPXZLZOZPMAELJ-GFCCVEGCSA-N 0 0 304.346 0.957 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)[C@@H](CO)CC(C)C)C1 ZINC000185662057 396332692 /nfs/dbraw/zinc/33/26/92/396332692.db2.gz RWNVTWNAZVFHOO-QWHCGFSZSA-N 0 0 314.430 0.839 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCO[C@]4(CCOC4)C3)nc2n1 ZINC000186009361 396339289 /nfs/dbraw/zinc/33/92/89/396339289.db2.gz WBYGARUHSMEOOZ-OAHLLOKOSA-N 0 0 317.349 0.373 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCO[C@]3(CCOC3)C2)nn1 ZINC000186028653 396340014 /nfs/dbraw/zinc/34/00/14/396340014.db2.gz WEHFCPIVKNGQCY-OAHLLOKOSA-N 0 0 308.382 0.956 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000185861188 396335628 /nfs/dbraw/zinc/33/56/28/396335628.db2.gz CCSCNLIGMBKYCE-LXYZTQFVSA-N 0 0 323.397 0.886 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](CCC(=O)OC)Cc1ccccc1 ZINC000185847513 396335860 /nfs/dbraw/zinc/33/58/60/396335860.db2.gz IDADTBWMHFHRFK-ZDUSSCGKSA-N 0 0 306.362 0.803 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000185853777 396335985 /nfs/dbraw/zinc/33/59/85/396335985.db2.gz YBOPPSQVQZVELS-JTQLQIEISA-N 0 0 309.753 0.698 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186324954 396347953 /nfs/dbraw/zinc/34/79/53/396347953.db2.gz KURIHVZYVAUHBH-UHFFFAOYSA-N 0 0 319.409 0.830 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2ccc(Br)cn2)C1 ZINC000284769092 396346394 /nfs/dbraw/zinc/34/63/94/396346394.db2.gz GYLUILCAJLXECD-LBPRGKRZSA-N 0 0 314.183 0.656 10 0 DCAERN O=C1CN(C[C@H](O)Cn2cccn2)CCN1c1cccs1 ZINC000186091074 396341219 /nfs/dbraw/zinc/34/12/19/396341219.db2.gz BHZMSFZAOOTHQD-LBPRGKRZSA-N 0 0 306.391 0.654 10 0 DCAERN COCCCS(=O)(=O)N1CCCN(c2ccccn2)CC1 ZINC000186118153 396341650 /nfs/dbraw/zinc/34/16/50/396341650.db2.gz JCOGVGGVVDNOJY-UHFFFAOYSA-N 0 0 313.423 0.960 10 0 DCAERN C[C@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CC(=O)N1C ZINC000283684046 396343191 /nfs/dbraw/zinc/34/31/91/396343191.db2.gz ZLKNKHUSGNVTJK-RYUDHWBXSA-N 0 0 305.382 0.105 10 0 DCAERN CCSCc1cc(C(=O)NC[C@H]2CN3CCN2CC3)no1 ZINC000186615016 396353287 /nfs/dbraw/zinc/35/32/87/396353287.db2.gz KXADQFKSUCIMAZ-NSHDSACASA-N 0 0 310.423 0.657 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000186692698 396355218 /nfs/dbraw/zinc/35/52/18/396355218.db2.gz HZEQDSZZZCDTRQ-GFCCVEGCSA-N 0 0 308.378 0.930 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCCn3ccnc3)CC2)n[nH]1 ZINC000187825113 396374693 /nfs/dbraw/zinc/37/46/93/396374693.db2.gz LPZXCVDFRBGVHL-UHFFFAOYSA-N 0 0 317.397 0.837 10 0 DCAERN CC(C)CN1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1=O ZINC000187091576 396363065 /nfs/dbraw/zinc/36/30/65/396363065.db2.gz SOVFNSBFAKFSKB-UHFFFAOYSA-N 0 0 306.366 0.717 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)OC ZINC000187409134 396369385 /nfs/dbraw/zinc/36/93/85/396369385.db2.gz QLLLPDHHJMFECQ-MRVPVSSYSA-N 0 0 311.310 0.378 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000187522884 396370553 /nfs/dbraw/zinc/37/05/53/396370553.db2.gz DENRARDLALQNNU-STQMWFEESA-N 0 0 311.407 0.639 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000187662126 396372314 /nfs/dbraw/zinc/37/23/14/396372314.db2.gz VTYYQSYCTCLRGF-UHFFFAOYSA-N 0 0 315.373 0.265 10 0 DCAERN C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCN1CCO ZINC000187728029 396373474 /nfs/dbraw/zinc/37/34/74/396373474.db2.gz WZBKISOIJXCZFM-GDBMZVCRSA-N 0 0 303.406 0.790 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000265909226 396349107 /nfs/dbraw/zinc/34/91/07/396349107.db2.gz YCAWYACQGLYRIE-OCAPTIKFSA-N 0 0 304.393 0.645 10 0 DCAERN CCCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1=O ZINC000186453318 396350010 /nfs/dbraw/zinc/35/00/10/396350010.db2.gz YFKCOGIOEJDQQZ-UHFFFAOYSA-N 0 0 320.393 0.597 10 0 DCAERN CN1CCCN(C(=O)NCc2nccn2C(F)F)CC1=O ZINC000188295195 396380991 /nfs/dbraw/zinc/38/09/91/396380991.db2.gz RFPNRKDTVITNIO-UHFFFAOYSA-N 0 0 301.297 0.652 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000188278506 396381107 /nfs/dbraw/zinc/38/11/07/396381107.db2.gz CEILYMDYRIIZFQ-CYBMUJFWSA-N 0 0 305.444 0.106 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1ccccc1 ZINC000188433229 396382357 /nfs/dbraw/zinc/38/23/57/396382357.db2.gz BNRKDCUYCGSGLV-UKRRQHHQSA-N 0 0 306.362 0.506 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H](Cc3nccn3C)C2)C1 ZINC000188591330 396383629 /nfs/dbraw/zinc/38/36/29/396383629.db2.gz DHZQDNLJYLVVPA-CYBMUJFWSA-N 0 0 304.394 0.680 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000188636159 396384249 /nfs/dbraw/zinc/38/42/49/396384249.db2.gz XBEOSKDFZWAJIZ-NMFUWQPSSA-N 0 0 312.410 0.680 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188682411 396384962 /nfs/dbraw/zinc/38/49/62/396384962.db2.gz UVFWOAZPJHYXDW-BFHYXJOUSA-N 0 0 312.410 0.897 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000188742488 396384969 /nfs/dbraw/zinc/38/49/69/396384969.db2.gz BURAQPBXJJPEIR-VHDGCEQUSA-N 0 0 306.337 0.911 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000188850179 396387413 /nfs/dbraw/zinc/38/74/13/396387413.db2.gz SSLDYHJGHSTLED-NEPJUHHUSA-N 0 0 307.394 0.515 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188883672 396387813 /nfs/dbraw/zinc/38/78/13/396387813.db2.gz IHPPGGKIJVOHPP-LLVKDONJSA-N 0 0 306.362 0.983 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000188887225 396387907 /nfs/dbraw/zinc/38/79/07/396387907.db2.gz RSHNBDUAIUDNFU-SECBINFHSA-N 0 0 319.390 0.894 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(C(C)C)n(C)n2)CC1=O ZINC000189051535 396389947 /nfs/dbraw/zinc/38/99/47/396389947.db2.gz LAJKPSZOEUKOFT-UHFFFAOYSA-N 0 0 322.409 0.864 10 0 DCAERN OCCOc1cncc(N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000189208767 396391754 /nfs/dbraw/zinc/39/17/54/396391754.db2.gz BGXLPDQMMZSWLX-LBPRGKRZSA-N 0 0 316.365 0.719 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000189225765 396392266 /nfs/dbraw/zinc/39/22/66/396392266.db2.gz APWZFBXNBHVNFM-SNAWJCMRSA-N 0 0 301.346 0.928 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189332146 396394152 /nfs/dbraw/zinc/39/41/52/396394152.db2.gz KJRLHEACEZRBAX-CQSZACIVSA-N 0 0 319.405 0.700 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1nsc(N(C)C)n1 ZINC000189557421 396396571 /nfs/dbraw/zinc/39/65/71/396396571.db2.gz GZEHQNXBPQNGJQ-PSASIEDQSA-N 0 0 300.384 0.102 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000189574304 396397259 /nfs/dbraw/zinc/39/72/59/396397259.db2.gz NMHJFWCRVVPBOP-LLVKDONJSA-N 0 0 315.333 0.325 10 0 DCAERN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)N1CC(CO)C1 ZINC000189702981 396397867 /nfs/dbraw/zinc/39/78/67/396397867.db2.gz KLWZBZUXNGEQNR-OAHLLOKOSA-N 0 0 317.389 0.811 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCCS(C)(=O)=O)CC2)n[nH]1 ZINC000189757994 396398466 /nfs/dbraw/zinc/39/84/66/396398466.db2.gz ADHNMCFSMWHGQQ-UHFFFAOYSA-N 0 0 314.411 0.192 10 0 DCAERN CC(=O)Nc1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189771652 396398875 /nfs/dbraw/zinc/39/88/75/396398875.db2.gz JTVAPJDWNWTISP-UHFFFAOYSA-N 0 0 304.350 0.675 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189770135 396399023 /nfs/dbraw/zinc/39/90/23/396399023.db2.gz XUHMKXSWHJDSFC-IAQYHMDHSA-N 0 0 304.346 0.906 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189801768 396399618 /nfs/dbraw/zinc/39/96/18/396399618.db2.gz IGYZZEYNCPZWPQ-LBPRGKRZSA-N 0 0 318.377 0.887 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)n[nH]1 ZINC000189895573 396400178 /nfs/dbraw/zinc/40/01/78/396400178.db2.gz PHRBGMFLYMYERC-LBPRGKRZSA-N 0 0 320.397 0.171 10 0 DCAERN CCN1CN(C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000190028612 396401660 /nfs/dbraw/zinc/40/16/60/396401660.db2.gz LOJUFKDDMYQUEX-JTQLQIEISA-N 0 0 306.370 0.507 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCN(c3ncccn3)CC2)[C@@H]1CO ZINC000190244845 396403653 /nfs/dbraw/zinc/40/36/53/396403653.db2.gz IRBXIXWZWJZHTQ-TZMCWYRMSA-N 0 0 319.409 0.858 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2cccnc2-n2cncn2)[C@@H]1CO ZINC000190267075 396404296 /nfs/dbraw/zinc/40/42/96/396404296.db2.gz SKYUVZANCRWOQZ-WCQYABFASA-N 0 0 316.365 0.575 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1ccc2oc(C)nc2c1 ZINC000190301075 396404992 /nfs/dbraw/zinc/40/49/92/396404992.db2.gz BSLICECQUNWJKL-UHFFFAOYSA-N 0 0 312.351 0.807 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H](C)C(=O)N(C)C)c1 ZINC000190585803 396408204 /nfs/dbraw/zinc/40/82/04/396408204.db2.gz ZUPLEZUGPAAVBC-JTQLQIEISA-N 0 0 300.380 0.591 10 0 DCAERN CCN1CN(C(=O)CSc2nnc3ccccn32)CC1=O ZINC000190603580 396408654 /nfs/dbraw/zinc/40/86/54/396408654.db2.gz IGHSOFZMKIXSDC-UHFFFAOYSA-N 0 0 305.363 0.470 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c(F)c1 ZINC000190680398 396410305 /nfs/dbraw/zinc/41/03/05/396410305.db2.gz QRHGEZKZLRWDHM-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CCn1cc([C@@H]2CN(CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790890 396412024 /nfs/dbraw/zinc/41/20/24/396412024.db2.gz USQCBCDKARTMNK-ZDUSSCGKSA-N 0 0 321.381 0.218 10 0 DCAERN CN1CCCN(CCCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000191101014 396415963 /nfs/dbraw/zinc/41/59/63/396415963.db2.gz BMTLFHWKSUNMNB-UHFFFAOYSA-N 0 0 315.373 0.837 10 0 DCAERN COCCN1CCCN(C(=O)[C@H](C)C2CCOCC2)CC1=O ZINC000191269117 396417459 /nfs/dbraw/zinc/41/74/59/396417459.db2.gz RQACUPAREOTMCG-CYBMUJFWSA-N 0 0 312.410 0.756 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2COc3ccccc32)CC1=O ZINC000191276884 396418247 /nfs/dbraw/zinc/41/82/47/396418247.db2.gz YPFDTMGGOTXZTN-CQSZACIVSA-N 0 0 318.373 0.870 10 0 DCAERN Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@H]1C(N)=O ZINC000192142807 396430207 /nfs/dbraw/zinc/43/02/07/396430207.db2.gz JOLKVELEVIVBKA-HNNXBMFYSA-N 0 0 300.362 0.867 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000192519751 396432496 /nfs/dbraw/zinc/43/24/96/396432496.db2.gz ZJJJLGRVXPVZCU-UHFFFAOYSA-N 0 0 312.395 0.847 10 0 DCAERN O=C(CCc1ccc2c(c1)OCCO2)N1CCN(CCO)CC1 ZINC000192783448 396437619 /nfs/dbraw/zinc/43/76/19/396437619.db2.gz PZVPVEOJBGZFGW-UHFFFAOYSA-N 0 0 320.389 0.527 10 0 DCAERN CC[C@@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000192854207 396439210 /nfs/dbraw/zinc/43/92/10/396439210.db2.gz MKTCKXBERGWUAT-VXGBXAGGSA-N 0 0 308.382 0.765 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000192871940 396439798 /nfs/dbraw/zinc/43/97/98/396439798.db2.gz CNOHZTSPNZJZPU-GXFFZTMASA-N 0 0 315.366 0.836 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980363 396376964 /nfs/dbraw/zinc/37/69/64/396376964.db2.gz OEFVWZKOULIBOS-UHFFFAOYSA-N 0 0 320.349 0.221 10 0 DCAERN COCCS(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187991511 396376986 /nfs/dbraw/zinc/37/69/86/396376986.db2.gz YSFJNAHEDJGZHQ-UHFFFAOYSA-N 0 0 314.411 0.385 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1F ZINC000187980828 396377080 /nfs/dbraw/zinc/37/70/80/396377080.db2.gz BCCGFHMTPGCPSC-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979639 396377291 /nfs/dbraw/zinc/37/72/91/396377291.db2.gz UYGUJZDFPWZNKW-OAHLLOKOSA-N 0 0 304.390 0.945 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000188078746 396378295 /nfs/dbraw/zinc/37/82/95/396378295.db2.gz RDJGLQWCTAYEBR-ZDUSSCGKSA-N 0 0 317.389 0.969 10 0 DCAERN Cc1ccc(C[C@@H](CO)NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000188045317 396378580 /nfs/dbraw/zinc/37/85/80/396378580.db2.gz QIVPRWVCXYCUTC-JKSUJKDBSA-N 0 0 321.421 0.528 10 0 DCAERN CCc1nc(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cs1 ZINC000286182854 396379011 /nfs/dbraw/zinc/37/90/11/396379011.db2.gz INAAAMVVYAONOO-MNOVXSKESA-N 0 0 308.407 0.873 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000286205032 396380410 /nfs/dbraw/zinc/38/04/10/396380410.db2.gz YBUUHMFQAFWPIL-LBPRGKRZSA-N 0 0 318.377 0.864 10 0 DCAERN C[C@@H](O)c1cn(CC(=O)N2CCC(C3CCOCC3)CC2)nn1 ZINC000372222978 396498485 /nfs/dbraw/zinc/49/84/85/396498485.db2.gz YTBIXNSNSRVVPL-GFCCVEGCSA-N 0 0 322.409 0.997 10 0 DCAERN Cc1ccoc1CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000291707892 396508256 /nfs/dbraw/zinc/50/82/56/396508256.db2.gz GAVLHEONHCUMEJ-CQSZACIVSA-N 0 0 306.322 0.424 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000289007389 396452216 /nfs/dbraw/zinc/45/22/16/396452216.db2.gz UMFVVRWPYDHKOJ-UHFFFAOYSA-N 0 0 316.770 0.133 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000193488428 396452701 /nfs/dbraw/zinc/45/27/01/396452701.db2.gz DIKBVQMASYWQCZ-GFCCVEGCSA-N 0 0 317.267 0.854 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000371632156 396472671 /nfs/dbraw/zinc/47/26/71/396472671.db2.gz GAEQLRDKWJNNBE-UPJWGTAASA-N 0 0 312.366 0.034 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)n1 ZINC000371782798 396476676 /nfs/dbraw/zinc/47/66/76/396476676.db2.gz BFYSUINUNVCDCA-CQSZACIVSA-N 0 0 304.394 0.822 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)N1CCCc2ccccc21 ZINC000371827996 396477847 /nfs/dbraw/zinc/47/78/47/396477847.db2.gz CDJIGDOUHMKCCF-MRXNPFEDSA-N 0 0 315.417 0.982 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@H](CO)C1CCC1 ZINC000594800927 396517816 /nfs/dbraw/zinc/51/78/16/396517816.db2.gz JYUQKBZFHJKFSG-SECBINFHSA-N 0 0 319.404 0.974 10 0 DCAERN O=S(=O)(NCC[C@H]1COc2ccccc2O1)[C@@H]1CCOC1 ZINC000581345289 396545831 /nfs/dbraw/zinc/54/58/31/396545831.db2.gz MSTQKOVOSHXAMU-NWDGAFQWSA-N 0 0 313.375 0.925 10 0 DCAERN CCO[C@@H]1C[C@]2(NC(=O)N([C@@H]3CCCN(C)C3=O)C2=O)C1(C)C ZINC000581406469 396550898 /nfs/dbraw/zinc/55/08/98/396550898.db2.gz NOFHQRDJUJILGH-GLKRBJQHSA-N 0 0 323.393 0.733 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCCOCC2)no1 ZINC000581507746 396560978 /nfs/dbraw/zinc/56/09/78/396560978.db2.gz MSCUZWJYIYVYJA-RYUDHWBXSA-N 0 0 322.365 0.727 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)N1CCOCC[C@@H]1C ZINC000373143653 396570018 /nfs/dbraw/zinc/57/00/18/396570018.db2.gz XPBXFRYXADWTFP-NSHDSACASA-N 0 0 307.416 0.136 10 0 DCAERN CCCN1CCCN(C(=O)c2cn3cccnc3n2)CC1=O ZINC000530415257 396577293 /nfs/dbraw/zinc/57/72/93/396577293.db2.gz BBIFPFATNSOETM-UHFFFAOYSA-N 0 0 301.350 0.814 10 0 DCAERN O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CC(n2ccnn2)C1 ZINC000373262047 396580305 /nfs/dbraw/zinc/58/03/05/396580305.db2.gz ZWCMYBZAUFZYEA-ZDUSSCGKSA-N 0 0 315.333 0.538 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)C[C@@H]2CCCO2)CC1=O ZINC000374147541 396642824 /nfs/dbraw/zinc/64/28/24/396642824.db2.gz VGRZFBMGLUQUKB-WYUUTHIRSA-N 0 0 302.396 0.094 10 0 DCAERN COC[C@@](C)(O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000531499869 396597111 /nfs/dbraw/zinc/59/71/11/396597111.db2.gz YIWNCOOLRMHSOP-MRXNPFEDSA-N 0 0 312.410 0.635 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000595413632 396605501 /nfs/dbraw/zinc/60/55/01/396605501.db2.gz DJTYLYGQJRZUJQ-NSHDSACASA-N 0 0 315.338 0.625 10 0 DCAERN C[C@@H]1COCCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000374333782 396656252 /nfs/dbraw/zinc/65/62/52/396656252.db2.gz SGGAEOKAMYZGKX-NSHDSACASA-N 0 0 306.366 0.581 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000373816138 396615986 /nfs/dbraw/zinc/61/59/86/396615986.db2.gz TXJZUTDSIRDPND-SNVBAGLBSA-N 0 0 321.381 0.219 10 0 DCAERN COC[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000561004995 396628409 /nfs/dbraw/zinc/62/84/09/396628409.db2.gz DVJHSKHMYQCOJD-GFCCVEGCSA-N 0 0 318.333 0.147 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCC[C@H]1O)CC2 ZINC000374076473 396637814 /nfs/dbraw/zinc/63/78/14/396637814.db2.gz DFUSBSSWSTWXNU-QJPTWQEYSA-N 0 0 307.398 0.616 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC000374112366 396640123 /nfs/dbraw/zinc/64/01/23/396640123.db2.gz VXIRAKXIDSRBDY-YNEHKIRRSA-N 0 0 311.407 0.918 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccoc1 ZINC000586584764 396661410 /nfs/dbraw/zinc/66/14/10/396661410.db2.gz PTOPSGDZYZWJQV-UHFFFAOYSA-N 0 0 301.368 0.504 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000374693311 396680969 /nfs/dbraw/zinc/68/09/69/396680969.db2.gz WGJWSKLWUFKXOC-XBFCOCLRSA-N 0 0 321.377 0.487 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374707726 396681614 /nfs/dbraw/zinc/68/16/14/396681614.db2.gz QPGDSLKRKHJYSO-NWDGAFQWSA-N 0 0 306.428 0.340 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000374804077 396688957 /nfs/dbraw/zinc/68/89/57/396688957.db2.gz YGSFWKIHLDNNFF-NWDGAFQWSA-N 0 0 305.382 0.699 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CC(n2ccnn2)C1 ZINC000374821198 396689836 /nfs/dbraw/zinc/68/98/36/396689836.db2.gz RLTSTLYTAABLGE-SECBINFHSA-N 0 0 305.363 0.541 10 0 DCAERN CC(C)Cc1nsc(N2CCN(S(N)(=O)=O)CC2)n1 ZINC000302236420 396718498 /nfs/dbraw/zinc/71/84/98/396718498.db2.gz JOQODGZOXGORSH-UHFFFAOYSA-N 0 0 305.429 0.062 10 0 DCAERN COCCN1CCN(c2ncccc2S(C)(=O)=O)C[C@@H]1C ZINC000302430316 396719228 /nfs/dbraw/zinc/71/92/28/396719228.db2.gz LCHACQZNSFWQDA-LBPRGKRZSA-N 0 0 313.423 0.642 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375589178 396777748 /nfs/dbraw/zinc/77/77/48/396777748.db2.gz AOMWUIVETOSQON-GHMZBOCLSA-N 0 0 319.365 0.677 10 0 DCAERN CN1C[C@@H](C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375603222 396779586 /nfs/dbraw/zinc/77/95/86/396779586.db2.gz OFSFZAICGDFQNZ-QWRGUYRKSA-N 0 0 304.350 0.741 10 0 DCAERN C[C@@H](C(=O)N1CCC(c2ncc[nH]2)CC1)N1C(=O)CCC1=O ZINC000589947753 396732076 /nfs/dbraw/zinc/73/20/76/396732076.db2.gz HZNVNNYHYWTMCM-JTQLQIEISA-N 0 0 304.350 0.653 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000617496251 396740217 /nfs/dbraw/zinc/74/02/17/396740217.db2.gz WFDUPMFIJIJACR-CYBMUJFWSA-N 0 0 301.346 0.169 10 0 DCAERN COC(=O)CNC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466088 396752975 /nfs/dbraw/zinc/75/29/75/396752975.db2.gz RXYKGMWRWZGOOO-JTQLQIEISA-N 0 0 308.338 0.026 10 0 DCAERN COCCCS(=O)(=O)N[C@H](C(=O)OC)c1ccccc1F ZINC000610702102 396753242 /nfs/dbraw/zinc/75/32/42/396753242.db2.gz GYWCVQAAYBLWTQ-LBPRGKRZSA-N 0 0 319.354 0.996 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)s1 ZINC000312778101 396766375 /nfs/dbraw/zinc/76/63/75/396766375.db2.gz MTBNYXOBKWLXAH-UHFFFAOYSA-N 0 0 318.420 0.311 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313690232 396772584 /nfs/dbraw/zinc/77/25/84/396772584.db2.gz RBHXTSHFPCDVLL-ZDUSSCGKSA-N 0 0 301.364 0.203 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1 ZINC000610884453 396776219 /nfs/dbraw/zinc/77/62/19/396776219.db2.gz AGSFNAHBAQVEOI-RYUDHWBXSA-N 0 0 312.366 0.672 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 ZINC000610884451 396776440 /nfs/dbraw/zinc/77/64/40/396776440.db2.gz AGSFNAHBAQVEOI-NEPJUHHUSA-N 0 0 312.366 0.672 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1 ZINC000610884452 396776826 /nfs/dbraw/zinc/77/68/26/396776826.db2.gz AGSFNAHBAQVEOI-NWDGAFQWSA-N 0 0 312.366 0.672 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)C[C@@H]3C=CCC3)C1)C2 ZINC000328625172 396824626 /nfs/dbraw/zinc/82/46/26/396824626.db2.gz CWHRUNQYJUMKSN-CYBMUJFWSA-N 0 0 301.394 0.969 10 0 DCAERN CCN1CCN(C(=O)c2cc(OC)no2)C[C@@H]1c1nccn1C ZINC000328630827 396827383 /nfs/dbraw/zinc/82/73/83/396827383.db2.gz QGFRJHDDXSDFFJ-LLVKDONJSA-N 0 0 319.365 0.936 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157939 396839997 /nfs/dbraw/zinc/83/99/97/396839997.db2.gz DHTIYQZQEFLFOK-MELADBBJSA-N 0 0 314.451 0.752 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2ccncc2Br)C1 ZINC000625362943 396847238 /nfs/dbraw/zinc/84/72/38/396847238.db2.gz HJZQWZFCGHBMCD-LLVKDONJSA-N 0 0 300.156 0.266 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)CC(C)(C)CC(=O)OC)C1 ZINC000611423815 396864651 /nfs/dbraw/zinc/86/46/51/396864651.db2.gz SNFYTRIWNZSSKL-LLVKDONJSA-N 0 0 313.398 0.886 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000591173375 396883122 /nfs/dbraw/zinc/88/31/22/396883122.db2.gz KUDCRPSENSBLPY-WPRPVWTQSA-N 0 0 324.410 0.226 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629924987 396887895 /nfs/dbraw/zinc/88/78/95/396887895.db2.gz OOUXWOKTFIHVFK-XJKSGUPXSA-N 0 0 307.394 0.515 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCCC1 ZINC000629930694 396889093 /nfs/dbraw/zinc/88/90/93/396889093.db2.gz KDVAEUBEJANLJM-LSDHHAIUSA-N 0 0 321.421 0.951 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@]12CCOC2 ZINC000333121813 396918794 /nfs/dbraw/zinc/91/87/94/396918794.db2.gz GQPMDFMHMWQFMD-ZOBORPQBSA-N 0 0 301.408 0.996 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630045726 396930009 /nfs/dbraw/zinc/93/00/09/396930009.db2.gz RKFUFPHFNODOOT-ZIAGYGMSSA-N 0 0 314.426 0.222 10 0 DCAERN COC(=O)CCc1csc(NC(=O)NCc2cn(C)nn2)n1 ZINC000611946389 396955923 /nfs/dbraw/zinc/95/59/23/396955923.db2.gz VJTIVTREMOVJNR-UHFFFAOYSA-N 0 0 324.366 0.699 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000618312139 396956969 /nfs/dbraw/zinc/95/69/69/396956969.db2.gz HYXGZNGXWAWHNG-WXHSDQCUSA-N 0 0 316.423 0.327 10 0 DCAERN CCOC1CC(C(=O)N2CCN([C@H]3CCCCNC3=O)CC2)C1 ZINC000376681928 396962822 /nfs/dbraw/zinc/96/28/22/396962822.db2.gz SLRAJVFYTIEVMT-NRXISQOPSA-N 0 0 323.437 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCCS2)CCN1S(C)(=O)=O ZINC000618677727 397011376 /nfs/dbraw/zinc/01/13/76/397011376.db2.gz WWMMBDUZFSKVJR-GHMZBOCLSA-N 0 0 306.453 0.764 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CCN1S(C)(=O)=O ZINC000618681635 397012245 /nfs/dbraw/zinc/01/22/45/397012245.db2.gz PFZRGZWXXJPUEX-SECBINFHSA-N 0 0 319.814 0.784 10 0 DCAERN O=S(=O)(CCC1CC1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000572142916 397026694 /nfs/dbraw/zinc/02/66/94/397026694.db2.gz CVTSDKLVZBWLTD-CYBMUJFWSA-N 0 0 314.411 0.235 10 0 DCAERN CN1C[C@H](CNC(=O)c2cc(Br)c[nH]2)CC1=O ZINC000619008980 397061626 /nfs/dbraw/zinc/06/16/26/397061626.db2.gz AUBCRHRKRIGDNH-ZETCQYMHSA-N 0 0 300.156 0.985 10 0 DCAERN CCCCOC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000625989116 397048217 /nfs/dbraw/zinc/04/82/17/397048217.db2.gz MYDMFCOZWIXTLH-MJBXVCDLSA-N 0 0 305.440 0.816 10 0 DCAERN CC(=O)c1cccc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)c1 ZINC000626197186 397106981 /nfs/dbraw/zinc/10/69/81/397106981.db2.gz HYISCXQBCQOVNE-UHFFFAOYSA-N 0 0 318.333 0.051 10 0 DCAERN CC(C)[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630574930 397050233 /nfs/dbraw/zinc/05/02/33/397050233.db2.gz UXKZETKMOCDCTR-LSDHHAIUSA-N 0 0 321.421 0.919 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@@H]1CN1CCOCC1)S(C)(=O)=O ZINC000377687464 397125002 /nfs/dbraw/zinc/12/50/02/397125002.db2.gz TXBUADDEXKVNID-CHWSQXEVSA-N 0 0 318.439 0.133 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000619451778 397132925 /nfs/dbraw/zinc/13/29/25/397132925.db2.gz NWJOZPXEBHGLAS-DRZSPHRISA-N 0 0 322.336 0.917 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000626422000 397159508 /nfs/dbraw/zinc/15/95/08/397159508.db2.gz RATAEPBYUMDGGI-VHSXEESVSA-N 0 0 315.414 0.072 10 0 DCAERN CC1(C)CN(C(=O)N[C@@H]2CC[S@](=O)C2)C[C@]2(CCOC2)O1 ZINC000572931895 397112929 /nfs/dbraw/zinc/11/29/29/397112929.db2.gz JODNWAJZYDVPPD-MGOULQTBSA-N 0 0 316.423 0.487 10 0 DCAERN C[C@H](CCNC(=O)N[C@@H]1CCC(=O)NC12CCC2)[S@](C)=O ZINC000619800665 397195194 /nfs/dbraw/zinc/19/51/94/397195194.db2.gz VWPDZTCKPFQNEQ-BJFPOWJFSA-N 0 0 315.439 0.644 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@@H]2COCCN2C)cn1 ZINC000626590012 397198665 /nfs/dbraw/zinc/19/86/65/397198665.db2.gz UTKQSXRCGIPIEC-CYBMUJFWSA-N 0 0 321.381 0.516 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000378185811 397207137 /nfs/dbraw/zinc/20/71/37/397207137.db2.gz YSPKGZRSXRVOCP-LLVKDONJSA-N 0 0 312.377 0.823 10 0 DCAERN COC(=O)[C@@]1(C)CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1C ZINC000601708563 397218258 /nfs/dbraw/zinc/21/82/58/397218258.db2.gz PGLTWLYGJKBFCQ-BBRMVZONSA-N 0 0 324.421 0.899 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000364595207 397225610 /nfs/dbraw/zinc/22/56/10/397225610.db2.gz XRSNQSNTXHAVPV-INIZCTEOSA-N 0 0 316.401 0.891 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CCN(c2ccc(F)cn2)CC1 ZINC000378436552 397240754 /nfs/dbraw/zinc/24/07/54/397240754.db2.gz ZXZIYLUJSKQQJU-LBPRGKRZSA-N 0 0 315.370 0.461 10 0 DCAERN CCOC(=O)c1ncc(CN2CCCN(C)S2(=O)=O)s1 ZINC000601926328 397270250 /nfs/dbraw/zinc/27/02/50/397270250.db2.gz JLMDKXPZJAOCHE-UHFFFAOYSA-N 0 0 319.408 0.702 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCc2c(cccc2C(N)=O)C1)C(C)C ZINC000620891244 397315779 /nfs/dbraw/zinc/31/57/79/397315779.db2.gz APIWFWRDYSLQDS-OAHLLOKOSA-N 0 0 317.389 0.831 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000385613946 397285041 /nfs/dbraw/zinc/28/50/41/397285041.db2.gz FTLFDAORTDVELB-YVECIDJPSA-N 0 0 306.428 0.433 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)nc1 ZINC000613627257 397290444 /nfs/dbraw/zinc/29/04/44/397290444.db2.gz ZPPLNBRDUUMIPK-HNNXBMFYSA-N 0 0 306.318 0.500 10 0 DCAERN Cn1cc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1 ZINC000389927665 397299010 /nfs/dbraw/zinc/29/90/10/397299010.db2.gz XSDQCKABRSIJJM-UHFFFAOYSA-N 0 0 311.323 0.739 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)N1CC(n2ccnn2)C1 ZINC000378553390 397255396 /nfs/dbraw/zinc/25/53/96/397255396.db2.gz VOELRSHBLDABJD-UHFFFAOYSA-N 0 0 305.382 0.748 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000407951591 397333242 /nfs/dbraw/zinc/33/32/42/397333242.db2.gz CGLZWTRRFCZRHX-UTUOFQBUSA-N 0 0 319.427 0.120 10 0 DCAERN CN(CC(F)(F)F)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000407952159 397334444 /nfs/dbraw/zinc/33/44/44/397334444.db2.gz FQIQWZUXXGTIGR-SSDOTTSWSA-N 0 0 303.306 0.353 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000407953839 397335075 /nfs/dbraw/zinc/33/50/75/397335075.db2.gz CHLNZOGELXIQKR-NQBHXWOUSA-N 0 0 304.394 0.685 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2nc3cccc(F)c3n2C)CC1 ZINC000407953382 397335168 /nfs/dbraw/zinc/33/51/68/397335168.db2.gz BDHQQIIYMXZNSG-JTQLQIEISA-N 0 0 306.341 0.742 10 0 DCAERN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)CC1 ZINC000407957591 397335759 /nfs/dbraw/zinc/33/57/59/397335759.db2.gz ZJHJJROPOQBTLQ-LLVKDONJSA-N 0 0 302.440 0.764 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1=O ZINC000407962657 397338800 /nfs/dbraw/zinc/33/88/00/397338800.db2.gz NNPQRQGAGLRIOS-RRFJBIMHSA-N 0 0 323.437 0.303 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c(C)s1 ZINC000407965487 397339836 /nfs/dbraw/zinc/33/98/36/397339836.db2.gz MVUHPEQTLDUWJE-SECBINFHSA-N 0 0 303.409 0.653 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134410 397340369 /nfs/dbraw/zinc/34/03/69/397340369.db2.gz GDBVRKYDEQLUGQ-SYQHCUMBSA-N 0 0 311.426 0.741 10 0 DCAERN CS(=O)(=O)N1CCC(NC(=O)N2CCCSCC2)CC1 ZINC000407968957 397341635 /nfs/dbraw/zinc/34/16/35/397341635.db2.gz VRIMTYJFRNYDLA-UHFFFAOYSA-N 0 0 321.468 0.559 10 0 DCAERN CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC000599114302 397342211 /nfs/dbraw/zinc/34/22/11/397342211.db2.gz AIXVFJNWCDYEQW-AWEZNQCLSA-N 0 0 324.425 0.684 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1=O ZINC000407971043 397342564 /nfs/dbraw/zinc/34/25/64/397342564.db2.gz NFIOPMDGXPZYPQ-LBPRGKRZSA-N 0 0 308.382 0.012 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000407971757 397342715 /nfs/dbraw/zinc/34/27/15/397342715.db2.gz CSLDOVIITFQTRK-DGCLKSJQSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)c1cn(CC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)nn1 ZINC000621140122 397343006 /nfs/dbraw/zinc/34/30/06/397343006.db2.gz IYPFBSZKGDMCPE-ISVAXAHUSA-N 0 0 316.308 0.752 10 0 DCAERN O=C(CN1CCOCC1)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408050660 397345111 /nfs/dbraw/zinc/34/51/11/397345111.db2.gz FGJUVVQBCDZPTR-KFWWJZLASA-N 0 0 312.410 0.097 10 0 DCAERN O=C(Cc1cncnc1)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408066404 397346149 /nfs/dbraw/zinc/34/61/49/397346149.db2.gz YADMRNFAQAJBKO-ZNMIVQPWSA-N 0 0 305.378 0.798 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000408131734 397348307 /nfs/dbraw/zinc/34/83/07/397348307.db2.gz HYPGROJTHARJOG-DTWKUNHWSA-N 0 0 302.318 0.572 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000408231594 397350711 /nfs/dbraw/zinc/35/07/11/397350711.db2.gz IQZBKOJQBHNBIB-IUCAKERBSA-N 0 0 304.334 0.171 10 0 DCAERN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249454 397351115 /nfs/dbraw/zinc/35/11/15/397351115.db2.gz VYEKXSATOYEUTD-TXEJJXNPSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408320973 397352970 /nfs/dbraw/zinc/35/29/70/397352970.db2.gz NNXPASGGTIZALE-RQJABVFESA-N 0 0 316.467 0.998 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nnc2n1CCOC2 ZINC000408404513 397355943 /nfs/dbraw/zinc/35/59/43/397355943.db2.gz GEFLUNLCDBDAPG-GYSYKLTISA-N 0 0 306.366 0.582 10 0 DCAERN C[C@@H]1CCN(CC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000408382027 397355949 /nfs/dbraw/zinc/35/59/49/397355949.db2.gz PBCMSPZUGCESQN-GFCCVEGCSA-N 0 0 302.440 0.944 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000577765036 397359139 /nfs/dbraw/zinc/35/91/39/397359139.db2.gz ZXMGZKKMOXGJGN-OLZOCXBDSA-N 0 0 321.421 0.905 10 0 DCAERN CC1(C)CS(=O)(=O)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000577897650 397370600 /nfs/dbraw/zinc/37/06/00/397370600.db2.gz PUANLAWKYFGGHM-STQMWFEESA-N 0 0 321.439 0.052 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN[C@@H]3C2)s1 ZINC000404173723 397328429 /nfs/dbraw/zinc/32/84/29/397328429.db2.gz WVQIFFFSNCFYQB-GHMZBOCLSA-N 0 0 302.421 0.808 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](C)S(C)(=O)=O ZINC000369283431 397437380 /nfs/dbraw/zinc/43/73/80/397437380.db2.gz BRQYCNIUYXIMSO-BJDJZHNGSA-N 0 0 317.407 0.752 10 0 DCAERN COc1ccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000368305063 397417680 /nfs/dbraw/zinc/41/76/80/397417680.db2.gz RYFMNADGKQJXJY-OAHLLOKOSA-N 0 0 319.405 0.964 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(CC)C(C)C ZINC000487344586 397470902 /nfs/dbraw/zinc/47/09/02/397470902.db2.gz WOZYZYXHMIMYLE-QWRGUYRKSA-N 0 0 301.387 0.883 10 0 DCAERN Cn1nncc1CC(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000614605174 397478406 /nfs/dbraw/zinc/47/84/06/397478406.db2.gz WSHSAUQLJGRPPA-MRXNPFEDSA-N 0 0 313.405 0.743 10 0 DCAERN CCN1CCO[C@@H](CN2CCN(C(=O)c3[nH]ccc3C)CC2)C1 ZINC000370458701 397488996 /nfs/dbraw/zinc/48/89/96/397488996.db2.gz AGHYJAZJPLEGFB-OAHLLOKOSA-N 0 0 320.437 0.802 10 0 DCAERN C[C@H](CCO)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489501033 397496590 /nfs/dbraw/zinc/49/65/90/397496590.db2.gz RIHZHLAMAIWQJW-GFCCVEGCSA-N 0 0 305.382 0.980 10 0 DCAERN CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)c1C ZINC000578801747 397486893 /nfs/dbraw/zinc/48/68/93/397486893.db2.gz UAYZWQGIEZBKDJ-STQMWFEESA-N 0 0 322.409 0.820 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CC[C@H](C2CC2)C1 ZINC000578901841 397500934 /nfs/dbraw/zinc/50/09/34/397500934.db2.gz XQZSMHGTDFHRHG-RYUDHWBXSA-N 0 0 303.366 0.488 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](O)C[C@@]2(C)CO)s1 ZINC000602898129 397517464 /nfs/dbraw/zinc/51/74/64/397517464.db2.gz LRUXLOYIXPNGKK-RNCFNFMXSA-N 0 0 300.380 0.637 10 0 DCAERN CC(=O)c1cn([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nn1 ZINC000603258189 397589663 /nfs/dbraw/zinc/58/96/63/397589663.db2.gz PWFZUOGIDGETRJ-NSHDSACASA-N 0 0 308.338 0.596 10 0 DCAERN Cn1ccnc1C[C@@H](NC(=O)CS(C)(=O)=O)c1ccccc1 ZINC000608207051 397720452 /nfs/dbraw/zinc/72/04/52/397720452.db2.gz ANDPFSLPVMNAHG-CYBMUJFWSA-N 0 0 321.402 0.865 10 0 DCAERN COC[C@H](NC(=O)NCCCN1CCCS1(=O)=O)C(C)C ZINC000608445378 397730960 /nfs/dbraw/zinc/73/09/60/397730960.db2.gz LZEJRYJRDIHJQJ-LBPRGKRZSA-N 0 0 321.443 0.382 10 0 DCAERN COC[C@@H](C)CNC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000606499635 397682779 /nfs/dbraw/zinc/68/27/79/397682779.db2.gz DQJMDPMUFFAUJB-NSHDSACASA-N 0 0 311.386 0.488 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000607281354 397700534 /nfs/dbraw/zinc/70/05/34/397700534.db2.gz FQVJJIIKPNWIFP-LBPRGKRZSA-N 0 0 308.300 0.819 10 0 DCAERN CCN(CC)C(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000608752861 397753528 /nfs/dbraw/zinc/75/35/28/397753528.db2.gz WLUGUPRLWOYFLT-UHFFFAOYSA-N 0 0 305.382 0.660 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CC)CC(F)F ZINC000186455750 285939331 /nfs/dbraw/zinc/93/93/31/285939331.db2.gz LNNQPHAHMQGLOS-SECBINFHSA-N 0 0 314.354 0.846 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246639846 286121609 /nfs/dbraw/zinc/12/16/09/286121609.db2.gz ZIQAUERWJBOZTB-OLZOCXBDSA-N 0 0 306.428 0.005 10 0 DCAERN COc1cc2c(c([C@@H]3NC(=O)[C@@H]4COCCN34)c1)O[C@@H](C)C2 ZINC000245706565 286252292 /nfs/dbraw/zinc/25/22/92/286252292.db2.gz FFAOXRMTBPBAMG-DYQSUWPFSA-N 0 0 304.346 0.848 10 0 DCAERN COCCC(=O)N1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000408301359 292271582 /nfs/dbraw/zinc/27/15/82/292271582.db2.gz AEHNHWRJEZJEQR-UHFFFAOYSA-N 0 0 313.398 0.398 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329082559 304406990 /nfs/dbraw/zinc/40/69/90/304406990.db2.gz SFPWAHXDEMUKJP-QDEZUTFSSA-N 0 0 322.405 0.387 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177809154 286647908 /nfs/dbraw/zinc/64/79/08/286647908.db2.gz KEJKDWKRYKJDRD-LBPRGKRZSA-N 0 0 314.411 0.156 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000046867485 158002114 /nfs/dbraw/zinc/00/21/14/158002114.db2.gz HISTUUHQSBZEOF-DOMZBBRYSA-N 0 0 317.389 0.790 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N(C)CC(=O)NC(C)(C)C ZINC000048044102 158005967 /nfs/dbraw/zinc/00/59/67/158005967.db2.gz GKJOZRQOLYJGDA-UHFFFAOYSA-N 0 0 306.428 0.430 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000049624360 158010521 /nfs/dbraw/zinc/01/05/21/158010521.db2.gz HUNHYMANPFKSSK-CYBMUJFWSA-N 0 0 324.425 0.459 10 0 DCAERN C[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)C(=O)N1CCCCC1 ZINC000051117608 158013237 /nfs/dbraw/zinc/01/32/37/158013237.db2.gz AENHHNDUCPCYCO-MCIONIFRSA-N 0 0 311.426 0.613 10 0 DCAERN CCCS(=O)(=O)CC(=O)NCc1cccnc1-n1ccnc1 ZINC000055214722 158022869 /nfs/dbraw/zinc/02/28/69/158022869.db2.gz CBYHIOQYCRQDJT-UHFFFAOYSA-N 0 0 322.390 0.708 10 0 DCAERN COCCCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000058753968 158026355 /nfs/dbraw/zinc/02/63/55/158026355.db2.gz ZRFZPRWCZOCXBI-UHFFFAOYSA-N 0 0 307.354 0.063 10 0 DCAERN CCNC(=O)CNC(=O)NCc1cccnc1-n1ccnc1 ZINC000061376289 158028540 /nfs/dbraw/zinc/02/85/40/158028540.db2.gz SICQVXSNBCLVLO-UHFFFAOYSA-N 0 0 302.338 0.203 10 0 DCAERN COCCOCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000062521661 158029908 /nfs/dbraw/zinc/02/99/08/158029908.db2.gz WXMRGZOIJXPELV-QWHCGFSZSA-N 0 0 307.412 0.623 10 0 DCAERN Cc1cccc(OCCNC(=O)[C@@H](C)N2CCNC(=O)CC2)c1 ZINC000065955263 158034133 /nfs/dbraw/zinc/03/41/33/158034133.db2.gz AQSZZYYSAWQOAM-CQSZACIVSA-N 0 0 319.405 0.700 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000068189026 158041981 /nfs/dbraw/zinc/04/19/81/158041981.db2.gz BDQIBRQCFLWDSF-CYBMUJFWSA-N 0 0 324.425 0.494 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000068533478 158043841 /nfs/dbraw/zinc/04/38/41/158043841.db2.gz XPCUNLBCDUSGBM-CYBMUJFWSA-N 0 0 303.362 0.824 10 0 DCAERN C[C@@H](NS(=O)(=O)c1c[nH]cn1)c1nnc2n1CCCCC2 ZINC000070417741 158047952 /nfs/dbraw/zinc/04/79/52/158047952.db2.gz AGFDZBMIBSBQAT-SECBINFHSA-N 0 0 310.383 0.767 10 0 DCAERN COCCN(CC(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000073286802 158055901 /nfs/dbraw/zinc/05/59/01/158055901.db2.gz PTMIZLWUORBRDW-STQMWFEESA-N 0 0 308.444 0.945 10 0 DCAERN O=C(N[C@H]1CCCOC1)N(CCO)CCOCC(F)(F)F ZINC000074132043 158057386 /nfs/dbraw/zinc/05/73/86/158057386.db2.gz YHXFJZZKPJEKIZ-JTQLQIEISA-N 0 0 314.304 0.748 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)CC1)c1nc(C(C)(C)C)no1 ZINC000074897617 158061041 /nfs/dbraw/zinc/06/10/41/158061041.db2.gz KYJDCUZUTUVSTG-VIFPVBQESA-N 0 0 309.370 0.960 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)NCC(C)(C)C)CC1 ZINC000075043323 158061280 /nfs/dbraw/zinc/06/12/80/158061280.db2.gz SGCUSAQZWOBOOK-UHFFFAOYSA-N 0 0 320.459 0.556 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000075981730 158063424 /nfs/dbraw/zinc/06/34/24/158063424.db2.gz LOFAJQHOQIEAOF-WCQYABFASA-N 0 0 324.406 0.506 10 0 DCAERN O=C(CNc1cc(-n2cnnn2)ccc1F)N1CCOCC1 ZINC000076667253 158064532 /nfs/dbraw/zinc/06/45/32/158064532.db2.gz DXWJZJLKSPTKMU-UHFFFAOYSA-N 0 0 306.301 0.072 10 0 DCAERN C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C[C@H](C)O ZINC000077051092 158066931 /nfs/dbraw/zinc/06/69/31/158066931.db2.gz KKBQEPVLKKFYBY-MNOVXSKESA-N 0 0 319.361 0.213 10 0 DCAERN CN1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000078480332 158073150 /nfs/dbraw/zinc/07/31/50/158073150.db2.gz CCYGMHXMTUNGJJ-UHFFFAOYSA-N 0 0 301.350 0.838 10 0 DCAERN CCCC(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000080319264 158081335 /nfs/dbraw/zinc/08/13/35/158081335.db2.gz XTURGTJMCVYYOU-ZDUSSCGKSA-N 0 0 303.362 0.342 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000081467926 158084174 /nfs/dbraw/zinc/08/41/74/158084174.db2.gz GCHWVHGJKUFFEM-CYBMUJFWSA-N 0 0 319.405 0.874 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CCC(=O)N1CCOCC1 ZINC000081567593 158086053 /nfs/dbraw/zinc/08/60/53/158086053.db2.gz XPERSZPXTREUAP-LBPRGKRZSA-N 0 0 300.399 0.897 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000083724835 158089019 /nfs/dbraw/zinc/08/90/19/158089019.db2.gz OUDZPVOKQQOKKS-RYUDHWBXSA-N 0 0 320.397 0.730 10 0 DCAERN CN(C)C(=O)CN1CCCN(C(=O)OCC(F)(F)F)CC1 ZINC000087304295 158092081 /nfs/dbraw/zinc/09/20/81/158092081.db2.gz UNWUWUZAUWYTQF-UHFFFAOYSA-N 0 0 311.304 0.781 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000089165757 158096145 /nfs/dbraw/zinc/09/61/45/158096145.db2.gz JALLMCDQOXWXRI-ZYHUDNBSSA-N 0 0 313.375 0.913 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089543101 158097166 /nfs/dbraw/zinc/09/71/66/158097166.db2.gz BWBYUXLTDSAKFA-CHWSQXEVSA-N 0 0 321.377 0.391 10 0 DCAERN CSC[C@@H](CCO)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074109 158106941 /nfs/dbraw/zinc/10/69/41/158106941.db2.gz GILCJRKEQNWHML-LLVKDONJSA-N 0 0 321.402 0.847 10 0 DCAERN CCn1cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000092044728 158111301 /nfs/dbraw/zinc/11/13/01/158111301.db2.gz GCUZHSRIZPTJCN-AWEZNQCLSA-N 0 0 312.439 0.903 10 0 DCAERN Cn1cc(C(=O)NC[C@H]2CN3CCN2CC3)c(C(C)(C)C)n1 ZINC000092282982 158112586 /nfs/dbraw/zinc/11/25/86/158112586.db2.gz UYOQUMSUNQBKKA-LBPRGKRZSA-N 0 0 305.426 0.447 10 0 DCAERN Cc1ccc(CN(C(=O)CN2CCOC[C@@H]2C(N)=O)C2CC2)o1 ZINC000092421439 158113699 /nfs/dbraw/zinc/11/36/99/158113699.db2.gz QTYZWQQRDVWLLS-CQSZACIVSA-N 0 0 321.377 0.265 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093531384 158121355 /nfs/dbraw/zinc/12/13/55/158121355.db2.gz FTKDNTPLVPLPIC-CYBMUJFWSA-N 0 0 321.406 0.595 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895203 158132605 /nfs/dbraw/zinc/13/26/05/158132605.db2.gz MRHZVWGLDWDZHM-CYBMUJFWSA-N 0 0 322.409 0.853 10 0 DCAERN COC(=O)NCCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000107476445 158135112 /nfs/dbraw/zinc/13/51/12/158135112.db2.gz ZHHHSILOGJIMMG-NSHDSACASA-N 0 0 310.354 0.905 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000110882326 158138675 /nfs/dbraw/zinc/13/86/75/158138675.db2.gz KCOWRZQRYIEWLC-GHMZBOCLSA-N 0 0 324.406 0.834 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1n[nH]c2c1CCCC2 ZINC000111144770 158139674 /nfs/dbraw/zinc/13/96/74/158139674.db2.gz WODBMVFTSAQGGE-SKDRFNHKSA-N 0 0 307.350 0.691 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCS(=O)(=O)C(C)(C)C)c2n1 ZINC000112952448 158143866 /nfs/dbraw/zinc/14/38/66/158143866.db2.gz OJUNAVZWBPNASN-UHFFFAOYSA-N 0 0 324.406 0.981 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC2CC2)CC1 ZINC000112751899 158144138 /nfs/dbraw/zinc/14/41/38/158144138.db2.gz SJXMHDSYYRUYTP-NSHDSACASA-N 0 0 303.428 0.852 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)NCCN2C(=O)CCC2=O)n1 ZINC000113902522 158150240 /nfs/dbraw/zinc/15/02/40/158150240.db2.gz FSDPBTFRIRGURH-UHFFFAOYSA-N 0 0 322.365 0.565 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc(=O)[nH]n1 ZINC000114442602 158152591 /nfs/dbraw/zinc/15/25/91/158152591.db2.gz MRLWYDLIROBPFO-CYBMUJFWSA-N 0 0 312.329 0.695 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114442683 158152734 /nfs/dbraw/zinc/15/27/34/158152734.db2.gz OJPMLOMIYVFTRU-CMPLNLGQSA-N 0 0 304.350 0.355 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114857103 158157275 /nfs/dbraw/zinc/15/72/75/158157275.db2.gz ZLZIDMOJMUBLLS-OAHLLOKOSA-N 0 0 320.437 0.949 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114855162 158157818 /nfs/dbraw/zinc/15/78/18/158157818.db2.gz SDIMZDQIGKXRMT-ZDUSSCGKSA-N 0 0 311.426 0.518 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000114862869 158157876 /nfs/dbraw/zinc/15/78/76/158157876.db2.gz CWPBIBOSYOIHEY-QWHCGFSZSA-N 0 0 322.409 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCNC(=O)OC)CC2 ZINC000114870870 158158832 /nfs/dbraw/zinc/15/88/32/158158832.db2.gz HYUKYNKNTCVXJR-SNVBAGLBSA-N 0 0 309.370 0.408 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCS(C)(=O)=O)CC2 ZINC000114865180 158159129 /nfs/dbraw/zinc/15/91/29/158159129.db2.gz ZWDPMVGAXGFINN-JTQLQIEISA-N 0 0 314.411 0.096 10 0 DCAERN CCOCCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1C ZINC000117275066 158170256 /nfs/dbraw/zinc/17/02/56/158170256.db2.gz KXKNCDDGCVMWPY-GFCCVEGCSA-N 0 0 310.398 0.164 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCOC)CCN1CCOC ZINC000117371858 158171905 /nfs/dbraw/zinc/17/19/05/158171905.db2.gz KDFPLNPJCIJNER-CYBMUJFWSA-N 0 0 308.444 0.395 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCO1 ZINC000117774973 158173159 /nfs/dbraw/zinc/17/31/59/158173159.db2.gz FFWBOOFNWRIDJA-LLYBFZRZSA-N 0 0 311.341 0.961 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000117807937 158173487 /nfs/dbraw/zinc/17/34/87/158173487.db2.gz QQLSXLLZXMUNJE-UHIISALHSA-N 0 0 324.402 0.701 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000117919513 158174777 /nfs/dbraw/zinc/17/47/77/158174777.db2.gz OUHNJUQFXJNXAE-NSHDSACASA-N 0 0 305.444 0.985 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000118115846 158175611 /nfs/dbraw/zinc/17/56/11/158175611.db2.gz SIBYKBUTMRNFCK-LBPRGKRZSA-N 0 0 309.341 0.519 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)NC[C@@]1(CCO)CCOC1 ZINC000119008953 158180653 /nfs/dbraw/zinc/18/06/53/158180653.db2.gz YRGSXKCXWPSNFM-QGZVFWFLSA-N 0 0 320.389 0.251 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)ccc1F ZINC000119288388 158185978 /nfs/dbraw/zinc/18/59/78/158185978.db2.gz KKIUPAIOFBYAKC-NSHDSACASA-N 0 0 315.320 0.779 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@]1(CCO)CCOC1 ZINC000119370317 158186773 /nfs/dbraw/zinc/18/67/73/158186773.db2.gz UCWRBJIOXVRSOH-MRXNPFEDSA-N 0 0 319.361 0.235 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000119992080 158191994 /nfs/dbraw/zinc/19/19/94/158191994.db2.gz XKXCPPFQDXIDTL-NSHDSACASA-N 0 0 313.379 0.623 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@@]2(C)CCCO2)CC1 ZINC000120170862 158194783 /nfs/dbraw/zinc/19/47/83/158194783.db2.gz YPGRPFBBZBBZMD-CQSZACIVSA-N 0 0 318.439 0.876 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)N[C@H]1CCc2ncnn2C1 ZINC000120306166 158196922 /nfs/dbraw/zinc/19/69/22/158196922.db2.gz SQROQRQOUXFYDS-LBPRGKRZSA-N 0 0 324.348 0.995 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC([C@@H](C)O)CC2)C1 ZINC000120448170 158197506 /nfs/dbraw/zinc/19/75/06/158197506.db2.gz KUQRCOLPPMLKJS-DGCLKSJQSA-N 0 0 312.414 0.593 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000120634501 158202037 /nfs/dbraw/zinc/20/20/37/158202037.db2.gz XOCPDHGRAXBYJB-SNVBAGLBSA-N 0 0 301.416 0.332 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000120702582 158202123 /nfs/dbraw/zinc/20/21/23/158202123.db2.gz GIVHRWAIOXZDDI-RWMBFGLXSA-N 0 0 310.398 0.341 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000120721115 158202253 /nfs/dbraw/zinc/20/22/53/158202253.db2.gz MHEPVGTYDFYNCI-NWDGAFQWSA-N 0 0 322.413 0.562 10 0 DCAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3cncnc3)CC2)C1 ZINC000121023328 158207025 /nfs/dbraw/zinc/20/70/25/158207025.db2.gz CGDKWDQYFIGDLB-QGZVFWFLSA-N 0 0 319.453 0.703 10 0 DCAERN COCCN1C[C@@H](C(=O)N(C(C)C)C2CCOCC2)CC1=O ZINC000121481456 158211216 /nfs/dbraw/zinc/21/12/16/158211216.db2.gz XYRDFRDJRCQUIL-ZDUSSCGKSA-N 0 0 312.410 0.897 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000121487689 158212086 /nfs/dbraw/zinc/21/20/86/158212086.db2.gz MXSFMVWSBUULMO-LLVKDONJSA-N 0 0 307.394 0.372 10 0 DCAERN CC[C@](C)(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000123373401 158229548 /nfs/dbraw/zinc/22/95/48/158229548.db2.gz QNGWGIFYSYXPBV-AWEZNQCLSA-N 0 0 313.423 0.549 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125333754 158253075 /nfs/dbraw/zinc/25/30/75/158253075.db2.gz OJSCVKZYRARYSA-UHFFFAOYSA-N 0 0 312.395 0.151 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000125267419 158253495 /nfs/dbraw/zinc/25/34/95/158253495.db2.gz NJVXNUAVDNHSJD-WDEREUQCSA-N 0 0 318.377 0.749 10 0 DCAERN C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCNC(=O)CC1 ZINC000126165525 158262652 /nfs/dbraw/zinc/26/26/52/158262652.db2.gz NSIZCQNFOCJASR-SNVBAGLBSA-N 0 0 322.340 0.684 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cc2c(OC)cccc2OC)C1 ZINC000126803550 158267150 /nfs/dbraw/zinc/26/71/50/158267150.db2.gz RDKUXJFRYOSSPN-UHFFFAOYSA-N 0 0 306.362 0.841 10 0 DCAERN C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000128894212 158284121 /nfs/dbraw/zinc/28/41/21/158284121.db2.gz USIYQSVYEJZHID-LLVKDONJSA-N 0 0 314.407 0.526 10 0 DCAERN Cn1c2cccc(C(=O)N3C[C@H]4OCCN(C)[C@H]4C3)c2oc1=O ZINC000128934980 158284719 /nfs/dbraw/zinc/28/47/19/158284719.db2.gz BYFRBQCQWHVMBN-QWHCGFSZSA-N 0 0 317.345 0.287 10 0 DCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000129367837 158289118 /nfs/dbraw/zinc/28/91/18/158289118.db2.gz FIXZRPHEMDBUIS-LPEHRKFASA-N 0 0 301.387 0.916 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cc[nH]c(=O)c3)C2)cn1 ZINC000130731548 158297415 /nfs/dbraw/zinc/29/74/15/158297415.db2.gz IGXGVDKTLSADDL-GFCCVEGCSA-N 0 0 301.350 0.507 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000131631793 158304316 /nfs/dbraw/zinc/30/43/16/158304316.db2.gz JNMWTTZRGITGAM-QWHCGFSZSA-N 0 0 313.442 0.452 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC000131631593 158304463 /nfs/dbraw/zinc/30/44/63/158304463.db2.gz JNMWTTZRGITGAM-STQMWFEESA-N 0 0 313.442 0.452 10 0 DCAERN O=C(NC(CO)CO)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000132440355 158310651 /nfs/dbraw/zinc/31/06/51/158310651.db2.gz XTHNCZPIYIROPS-UHFFFAOYSA-N 0 0 303.318 0.697 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133505366 158319248 /nfs/dbraw/zinc/31/92/48/158319248.db2.gz UJRSQSQHGNOLEL-STQMWFEESA-N 0 0 319.409 0.843 10 0 DCAERN COC(=O)NCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133741024 158321994 /nfs/dbraw/zinc/32/19/94/158321994.db2.gz SCXWLPXXMWDFOJ-JTQLQIEISA-N 0 0 309.370 0.579 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H]1CCC(=O)N(C)C1)C2 ZINC000133914506 158323124 /nfs/dbraw/zinc/32/31/24/158323124.db2.gz WLCGJCHYSHQBPS-QWHCGFSZSA-N 0 0 318.373 0.983 10 0 DCAERN CN(C)c1ncc(NS(=O)(=O)C[C@H]2CCCCO2)cn1 ZINC000133910410 158323547 /nfs/dbraw/zinc/32/35/47/158323547.db2.gz FBBUXNXHEFARKM-LLVKDONJSA-N 0 0 300.384 0.853 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000134011197 158323602 /nfs/dbraw/zinc/32/36/02/158323602.db2.gz SJYZIGUCEQUVMA-KGLIPLIRSA-N 0 0 320.389 0.723 10 0 DCAERN O=S1(=O)CCC[C@@H]1CNC1=NS(=O)(=O)c2ccccc21 ZINC000134178031 158324783 /nfs/dbraw/zinc/32/47/83/158324783.db2.gz GQTGTVBUPMZPLY-SECBINFHSA-N 0 0 314.388 0.302 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134306239 158325168 /nfs/dbraw/zinc/32/51/68/158325168.db2.gz NCAJEJZJAPJPRM-DOMZBBRYSA-N 0 0 322.409 0.608 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000134365180 158327059 /nfs/dbraw/zinc/32/70/59/158327059.db2.gz HGIFLDCNWIPFEO-QWHCGFSZSA-N 0 0 315.439 0.152 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134794445 158330991 /nfs/dbraw/zinc/33/09/91/158330991.db2.gz SGHXRXVCXATHCV-ONGXEEELSA-N 0 0 310.785 0.955 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000135322542 158335224 /nfs/dbraw/zinc/33/52/24/158335224.db2.gz KTZLKUUEXRDPRU-NOZJJQNGSA-N 0 0 309.414 0.777 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)nn1 ZINC000135335921 158335431 /nfs/dbraw/zinc/33/54/31/158335431.db2.gz KQHSFPMNKWAXDM-SECBINFHSA-N 0 0 302.338 0.904 10 0 DCAERN CN1CC[C@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1=O ZINC000135745922 158339591 /nfs/dbraw/zinc/33/95/91/158339591.db2.gz GFFKGGQMDWQQLR-GXTWGEPZSA-N 0 0 303.362 0.930 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135723775 158340180 /nfs/dbraw/zinc/34/01/80/158340180.db2.gz YPPHWTTVFPOSNK-QWHCGFSZSA-N 0 0 306.366 0.898 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)[nH]1 ZINC000136434602 158342935 /nfs/dbraw/zinc/34/29/35/158342935.db2.gz DKBYYKXFWXEPSO-CYBMUJFWSA-N 0 0 318.381 0.688 10 0 DCAERN CCc1cnccc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000137351164 158345386 /nfs/dbraw/zinc/34/53/86/158345386.db2.gz JNRFTLXIZVYTDG-INIZCTEOSA-N 0 0 307.394 0.457 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](C)CCOC)CCO2)[nH]1 ZINC000138313401 158346316 /nfs/dbraw/zinc/34/63/16/158346316.db2.gz IASOPOQLKDDLCY-GHMZBOCLSA-N 0 0 311.386 0.875 10 0 DCAERN C[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000161865390 158358701 /nfs/dbraw/zinc/35/87/01/158358701.db2.gz RZMGYICJISWJJL-NEPJUHHUSA-N 0 0 304.412 0.774 10 0 DCAERN C[C@H](NC(=O)[C@H]1COCCN1)c1cn(-c2ccccc2)nn1 ZINC000163150078 158362162 /nfs/dbraw/zinc/36/21/62/158362162.db2.gz BRTGGSZVNKKAKQ-SMDDNHRTSA-N 0 0 301.350 0.433 10 0 DCAERN COCc1nn(CC(=O)N2CCC[C@H](C(F)(F)F)C2)c(=O)o1 ZINC000164465540 158364083 /nfs/dbraw/zinc/36/40/83/158364083.db2.gz MQFPKMQXKSVEGX-QMMMGPOBSA-N 0 0 323.271 0.784 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1C(C)C ZINC000166884555 158367210 /nfs/dbraw/zinc/36/72/10/158367210.db2.gz RAGSFZHREGAXGH-JTQLQIEISA-N 0 0 307.354 0.140 10 0 DCAERN CC[C@](C)(OC)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000170229393 158373425 /nfs/dbraw/zinc/37/34/25/158373425.db2.gz BMAKFAQTKKEPMS-ZDUSSCGKSA-N 0 0 300.380 0.765 10 0 DCAERN Cn1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000170222174 158373619 /nfs/dbraw/zinc/37/36/19/158373619.db2.gz BBUZCBCVPWQLIP-UHFFFAOYSA-N 0 0 307.331 0.285 10 0 DCAERN CCOC(=O)N1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000170241238 158373720 /nfs/dbraw/zinc/37/37/20/158373720.db2.gz ILJWNBHUIGYDSZ-SNVBAGLBSA-N 0 0 307.354 0.210 10 0 DCAERN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562908 158374838 /nfs/dbraw/zinc/37/48/38/158374838.db2.gz QPCSVBIKZWCQEC-NXEZZACHSA-N 0 0 306.318 0.265 10 0 DCAERN CCOc1ccc(OCCn2nc(C(N)=O)ccc2=O)cc1 ZINC000171511326 158382884 /nfs/dbraw/zinc/38/28/84/158382884.db2.gz NLTLXUFENHQVMX-UHFFFAOYSA-N 0 0 303.318 0.820 10 0 DCAERN Cc1cnn(C[C@H]2CN(C[C@H](O)COCC(C)C)CCO2)c1 ZINC000171625231 158383896 /nfs/dbraw/zinc/38/38/96/158383896.db2.gz QRPQWGQISXQEBU-JKSUJKDBSA-N 0 0 311.426 0.926 10 0 DCAERN CCOCCS(=O)(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000171645337 158385575 /nfs/dbraw/zinc/38/55/75/158385575.db2.gz LQTBRQAASUONBX-LBPRGKRZSA-N 0 0 316.427 0.844 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000171670469 158385638 /nfs/dbraw/zinc/38/56/38/158385638.db2.gz AKWWCYCHPARDDP-CYBMUJFWSA-N 0 0 304.394 0.694 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000172009054 158389628 /nfs/dbraw/zinc/38/96/28/158389628.db2.gz NINNWWWZVIAMLP-VIFPVBQESA-N 0 0 309.347 0.900 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)C(C)C)CC2 ZINC000172041281 158390594 /nfs/dbraw/zinc/39/05/94/158390594.db2.gz IHHFBUSCZFETCQ-IAQYHMDHSA-N 0 0 309.414 0.862 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000172359073 158394229 /nfs/dbraw/zinc/39/42/29/158394229.db2.gz FSJTWCREJABYTK-YIONKMFJSA-N 0 0 323.437 0.999 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172449359 158394935 /nfs/dbraw/zinc/39/49/35/158394935.db2.gz QNOAQTCWUNUDJC-NWDGAFQWSA-N 0 0 324.402 0.864 10 0 DCAERN C[C@@H](CO)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172545125 158395527 /nfs/dbraw/zinc/39/55/27/158395527.db2.gz LFTGGXHISYODKW-SECBINFHSA-N 0 0 304.306 0.420 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000172573161 158395953 /nfs/dbraw/zinc/39/59/53/158395953.db2.gz JLMOOCTVECOMCE-QWRGUYRKSA-N 0 0 306.366 0.934 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000172603739 158396448 /nfs/dbraw/zinc/39/64/48/158396448.db2.gz XFJNSTXBGSGWIH-RYUDHWBXSA-N 0 0 315.381 0.905 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753578 158398948 /nfs/dbraw/zinc/39/89/48/158398948.db2.gz BXTJLGQVCJBOPD-CABCVRRESA-N 0 0 312.410 0.505 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)C1 ZINC000173033199 158402211 /nfs/dbraw/zinc/40/22/11/158402211.db2.gz HCYSOPDXSYKPPR-CYBMUJFWSA-N 0 0 307.350 0.381 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173468638 158406242 /nfs/dbraw/zinc/40/62/42/158406242.db2.gz BKFSBLDFAJBOET-WCQYABFASA-N 0 0 322.413 0.198 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2cc(C)cc(C)c2)C1 ZINC000176428890 158437672 /nfs/dbraw/zinc/43/76/72/158437672.db2.gz SBNNHDMFTKPZLF-UHFFFAOYSA-N 0 0 317.389 0.628 10 0 DCAERN COCCCOC1CN(C(=O)CCn2c(C)csc2=O)C1 ZINC000176906958 158443013 /nfs/dbraw/zinc/44/30/13/158443013.db2.gz VUZUDYUUJYARQZ-UHFFFAOYSA-N 0 0 314.407 0.872 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1COc2ccccc2C1 ZINC000177879616 158451812 /nfs/dbraw/zinc/45/18/12/158451812.db2.gz VSWSLYWAUGYXRA-AWEZNQCLSA-N 0 0 311.341 0.931 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000178452268 158458577 /nfs/dbraw/zinc/45/85/77/158458577.db2.gz DTADHRKKCYJPRD-JQWIXIFHSA-N 0 0 322.413 0.745 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(C)C ZINC000178700089 158462386 /nfs/dbraw/zinc/46/23/86/158462386.db2.gz FBJAWDVNGPPDIC-GXSJLCMTSA-N 0 0 311.407 0.753 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178707578 158462407 /nfs/dbraw/zinc/46/24/07/158462407.db2.gz BROHLWSOZZHUQK-OCCSQVGLSA-N 0 0 312.391 0.042 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccnc2-n2cncn2)[C@@H](C)CO1 ZINC000182323147 158491609 /nfs/dbraw/zinc/49/16/09/158491609.db2.gz UVZBMFZXYBMQLK-RYUDHWBXSA-N 0 0 316.365 0.981 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000183549022 158499588 /nfs/dbraw/zinc/49/95/88/158499588.db2.gz LZDZNEWDICMBIK-ZDUSSCGKSA-N 0 0 319.409 0.957 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cccs2)C(=O)C1)n1cncn1 ZINC000184095167 158505703 /nfs/dbraw/zinc/50/57/03/158505703.db2.gz DBNSVWLPGBYCRI-JTQLQIEISA-N 0 0 305.363 0.776 10 0 DCAERN C[C@H](c1nccs1)N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000185696591 158523650 /nfs/dbraw/zinc/52/36/50/158523650.db2.gz RWOSSKJZPNQBMM-LLVKDONJSA-N 0 0 310.423 0.827 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000186186790 158527793 /nfs/dbraw/zinc/52/77/93/158527793.db2.gz WCQSYPKVKHARMU-LLVKDONJSA-N 0 0 302.290 0.688 10 0 DCAERN CN1CCCN(C(=O)NCC[S@](=O)C(C)(C)C)CC1=O ZINC000188137287 158543365 /nfs/dbraw/zinc/54/33/65/158543365.db2.gz MTBCPJFXZGSBCD-FQEVSTJZSA-N 0 0 303.428 0.407 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)OC ZINC000188366143 158544283 /nfs/dbraw/zinc/54/42/83/158544283.db2.gz VOYAOBPXQANGFF-QJPTWQEYSA-N 0 0 306.428 0.730 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccc(O)cc2)CC1=O ZINC000189311079 158551777 /nfs/dbraw/zinc/55/17/77/158551777.db2.gz WZRXNXIGOKFLFN-UHFFFAOYSA-N 0 0 306.362 0.642 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000189609954 158553661 /nfs/dbraw/zinc/55/36/61/158553661.db2.gz SBFCCDKSJFHFNC-VHSXEESVSA-N 0 0 300.380 0.948 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(CNC(C)=O)s1 ZINC000191563587 158569281 /nfs/dbraw/zinc/56/92/81/158569281.db2.gz VKKHEETYHHGUBQ-SECBINFHSA-N 0 0 311.407 0.981 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC(n3cncn3)CC2)C1 ZINC000195142426 158604972 /nfs/dbraw/zinc/60/49/72/158604972.db2.gz LULXGPZKRYUBLY-ZDUSSCGKSA-N 0 0 305.382 0.700 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000195157991 158605741 /nfs/dbraw/zinc/60/57/41/158605741.db2.gz VCYAKBXOEGWEHJ-KWCYVHTRSA-N 0 0 309.410 0.128 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195392131 158610734 /nfs/dbraw/zinc/61/07/34/158610734.db2.gz FSCMNQUJYDEQDP-SNVBAGLBSA-N 0 0 312.395 0.671 10 0 DCAERN CCC[C@H](CCO)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000228613822 158621238 /nfs/dbraw/zinc/62/12/38/158621238.db2.gz PIYQXOXXWPKDRU-RWMBFGLXSA-N 0 0 308.444 0.729 10 0 DCAERN COC(=O)[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000231648976 158627318 /nfs/dbraw/zinc/62/73/18/158627318.db2.gz FFXAWDUGZLAZNM-SECBINFHSA-N 0 0 307.755 0.461 10 0 DCAERN CCCn1c(=O)[nH]nc1SC[C@H](O)CO[C@H](C)COC ZINC000233379497 158629448 /nfs/dbraw/zinc/62/94/48/158629448.db2.gz GUYAKQAZVBRZSL-NXEZZACHSA-N 0 0 305.400 0.486 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245417032 158645849 /nfs/dbraw/zinc/64/58/49/158645849.db2.gz FQOOCHVJTWMDFP-JHJVBQTASA-N 0 0 305.382 0.897 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245537151 158648067 /nfs/dbraw/zinc/64/80/67/158648067.db2.gz YCWSKNDRDYINQQ-LBPRGKRZSA-N 0 0 301.416 0.577 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccccc2F)C1 ZINC000246514110 158666051 /nfs/dbraw/zinc/66/60/51/158666051.db2.gz UXOWAJXHZDZKSX-BXUZGUMPSA-N 0 0 311.357 0.489 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246599643 158667135 /nfs/dbraw/zinc/66/71/35/158667135.db2.gz DAWYLRDOFIAMLF-MGPQQGTHSA-N 0 0 323.418 0.421 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)OC ZINC000248729729 158697390 /nfs/dbraw/zinc/69/73/90/158697390.db2.gz VOYAOBPXQANGFF-SDDRHHMPSA-N 0 0 306.428 0.730 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000248930137 158700837 /nfs/dbraw/zinc/70/08/37/158700837.db2.gz MFXSTUTXJXNSEA-GLQYFDAESA-N 0 0 311.403 0.917 10 0 DCAERN CCOC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000249094721 158702212 /nfs/dbraw/zinc/70/22/12/158702212.db2.gz OLTWUVVXXFHREM-AVGNSLFASA-N 0 0 308.444 0.991 10 0 DCAERN CN1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)c2ccccc21 ZINC000249083791 158702418 /nfs/dbraw/zinc/70/24/18/158702418.db2.gz ICCLCHYMPPFEQW-KCPJHIHWSA-N 0 0 317.389 0.759 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)nc1 ZINC000262413610 158810685 /nfs/dbraw/zinc/81/06/85/158810685.db2.gz YLQUMOLTGUZKCV-NSHDSACASA-N 0 0 303.240 0.320 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000276306849 158924708 /nfs/dbraw/zinc/92/47/08/158924708.db2.gz LIUGRIPPMTVOQX-SECBINFHSA-N 0 0 310.784 0.012 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000285402100 158964763 /nfs/dbraw/zinc/96/47/63/158964763.db2.gz GZQDJZSTSVCJMD-NSHDSACASA-N 0 0 317.139 0.495 10 0 DCAERN O=C1[C@@H](N2CCC[C@@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609215 159014014 /nfs/dbraw/zinc/01/40/14/159014014.db2.gz MOCFBNORXDXUKK-CABCVRRESA-N 0 0 319.409 0.695 10 0 DCAERN O=C1[C@H](N2CCN(C3CC3)C(=O)C2)CCN1C1CCOCC1 ZINC000328638229 159016618 /nfs/dbraw/zinc/01/66/18/159016618.db2.gz DDQSYSJEOSMYCJ-CQSZACIVSA-N 0 0 307.394 0.073 10 0 DCAERN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328658452 159017649 /nfs/dbraw/zinc/01/76/49/159017649.db2.gz RBTCDXPLOUUJFV-LSDHHAIUSA-N 0 0 321.421 0.463 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328665831 159018505 /nfs/dbraw/zinc/01/85/05/159018505.db2.gz ZNGPDODGMOSUTL-KGLIPLIRSA-N 0 0 323.418 0.522 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(C)(O)C2)cn1 ZINC000328700422 159022580 /nfs/dbraw/zinc/02/25/80/159022580.db2.gz MTAJKQHSMZDHMC-QWHCGFSZSA-N 0 0 309.366 0.200 10 0 DCAERN C[C@H](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1=O ZINC000328750160 159026209 /nfs/dbraw/zinc/02/62/09/159026209.db2.gz QKJUKNHGACJOHJ-VXGBXAGGSA-N 0 0 316.423 0.423 10 0 DCAERN COc1cccc(CC(=O)N2CCS(=O)(=O)C[C@H](C)C2)n1 ZINC000328753282 159026749 /nfs/dbraw/zinc/02/67/49/159026749.db2.gz NRGWFURKTKKIDS-LLVKDONJSA-N 0 0 312.391 0.526 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328856218 159034997 /nfs/dbraw/zinc/03/49/97/159034997.db2.gz CXPJAZCTULMXRV-BYNSBNAKSA-N 0 0 312.410 0.502 10 0 DCAERN CCn1nc(C(=O)N2CCO[C@@H](CO)C2)c(=O)c2ccccc21 ZINC000328851354 159035042 /nfs/dbraw/zinc/03/50/42/159035042.db2.gz ZPHAGOQGHHXYAT-LLVKDONJSA-N 0 0 317.345 0.250 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328902134 159039294 /nfs/dbraw/zinc/03/92/94/159039294.db2.gz GGJRYJUPVZUJBT-QLFBSQMISA-N 0 0 323.437 0.709 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905480 159039827 /nfs/dbraw/zinc/03/98/27/159039827.db2.gz KBFHKGVRTUZBDK-STQMWFEESA-N 0 0 307.398 0.072 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905478 159040275 /nfs/dbraw/zinc/04/02/75/159040275.db2.gz KBFHKGVRTUZBDK-OLZOCXBDSA-N 0 0 307.398 0.072 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328930187 159043208 /nfs/dbraw/zinc/04/32/08/159043208.db2.gz YYTCCOFLVFUMFP-WDEREUQCSA-N 0 0 307.354 0.851 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000328958012 159046564 /nfs/dbraw/zinc/04/65/64/159046564.db2.gz OHEDAMWFCVBYCT-KBPBESRZSA-N 0 0 305.378 0.564 10 0 DCAERN Cc1cccc(N2CCN(C(=O)C3(CO)COC3)CC2)c1C ZINC000329094439 159060975 /nfs/dbraw/zinc/06/09/75/159060975.db2.gz BJCONTCMJZXNBD-UHFFFAOYSA-N 0 0 304.390 0.961 10 0 DCAERN O=C1CN(Cc2nnc3n2CCOC3)CCN1CC(F)(F)F ZINC000329153850 159068383 /nfs/dbraw/zinc/06/83/83/159068383.db2.gz BSSXTPZLLDFGEV-UHFFFAOYSA-N 0 0 319.287 0.015 10 0 DCAERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000329176439 159070296 /nfs/dbraw/zinc/07/02/96/159070296.db2.gz MVVUSGBEYBYMMU-QWRGUYRKSA-N 0 0 317.411 0.378 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329198833 159072265 /nfs/dbraw/zinc/07/22/65/159072265.db2.gz WSIUZVQGMVYQCM-GHMZBOCLSA-N 0 0 316.365 0.579 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)c1 ZINC000329230355 159075226 /nfs/dbraw/zinc/07/52/26/159075226.db2.gz DJYNFYZMBHGJRC-HUUCEWRRSA-N 0 0 322.409 0.140 10 0 DCAERN O=C(N1CCC[C@H](c2nnc[nH]2)C1)C1(N2CCOCC2)CCC1 ZINC000329340398 159083725 /nfs/dbraw/zinc/08/37/25/159083725.db2.gz RPTQJBOMGNEOEY-ZDUSSCGKSA-N 0 0 319.409 0.766 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329374643 159086832 /nfs/dbraw/zinc/08/68/32/159086832.db2.gz LDGBWQJDNYLHAN-KBPBESRZSA-N 0 0 302.334 0.749 10 0 DCAERN Cc1noc2ncc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)cc12 ZINC000329457591 159094377 /nfs/dbraw/zinc/09/43/77/159094377.db2.gz QPPXWTBQWYVCHY-MRVPVSSYSA-N 0 0 309.347 0.790 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)c1cnn3ccncc13)C2 ZINC000329459045 159094420 /nfs/dbraw/zinc/09/44/20/159094420.db2.gz ORTRAHFSHGKKLH-UHFFFAOYSA-N 0 0 324.344 0.504 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329479629 159096072 /nfs/dbraw/zinc/09/60/72/159096072.db2.gz QNBHMSAFEPQVTP-NSHDSACASA-N 0 0 322.365 0.240 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@](F)(CO)C1 ZINC000329502845 159098084 /nfs/dbraw/zinc/09/80/84/159098084.db2.gz WGVVCXFLXSRKTH-OAHLLOKOSA-N 0 0 321.356 0.851 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)[C@H]2CCSC2)nn1 ZINC000329509643 159098291 /nfs/dbraw/zinc/09/82/91/159098291.db2.gz BFAOTUHVNRMJBJ-MVWJERBFSA-N 0 0 312.395 0.442 10 0 DCAERN O=C(Cc1cncnc1)N1CCN(Cc2cscn2)CC1 ZINC000329527222 159099733 /nfs/dbraw/zinc/09/97/33/159099733.db2.gz RYCXLXRIQKELAC-UHFFFAOYSA-N 0 0 303.391 0.820 10 0 DCAERN O=C([C@@H]1CSCN1S(=O)(=O)CC1CC1)N1CCCC1 ZINC000329532036 159099919 /nfs/dbraw/zinc/09/99/19/159099919.db2.gz WXLHGCBAWQPRTG-NSHDSACASA-N 0 0 304.437 0.724 10 0 DCAERN O=C1CCCCCN1Cc1nc([C@H]2CN3CCN2CC3)no1 ZINC000329739740 159116445 /nfs/dbraw/zinc/11/64/45/159116445.db2.gz VAPCTOSDYNYPNP-GFCCVEGCSA-N 0 0 305.382 0.645 10 0 DCAERN O=C(Cc1ccon1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000329769659 159118003 /nfs/dbraw/zinc/11/80/03/159118003.db2.gz FMTCPLAUVSECSM-LBPRGKRZSA-N 0 0 307.350 0.315 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 ZINC000329832708 159122667 /nfs/dbraw/zinc/12/26/67/159122667.db2.gz GCPIQHGHKQKLJA-BXUZGUMPSA-N 0 0 304.350 0.288 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000329862139 159124595 /nfs/dbraw/zinc/12/45/95/159124595.db2.gz QVYBFWNIUHTHGW-GMZLATJGSA-N 0 0 310.394 0.792 10 0 DCAERN O=C(CN1CCn2ncnc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329940377 159129909 /nfs/dbraw/zinc/12/99/09/159129909.db2.gz BOTXESCGOOBRCO-OLZOCXBDSA-N 0 0 305.382 0.264 10 0 DCAERN O=C(CN1CCn2ncnc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329940378 159130406 /nfs/dbraw/zinc/13/04/06/159130406.db2.gz BOTXESCGOOBRCO-QWHCGFSZSA-N 0 0 305.382 0.264 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cn1 ZINC000329972282 159133088 /nfs/dbraw/zinc/13/30/88/159133088.db2.gz YAODKXWYNXWXEX-REBRKWNGSA-N 0 0 323.393 0.589 10 0 DCAERN COCCN1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000330012847 159135541 /nfs/dbraw/zinc/13/55/41/159135541.db2.gz LGBNJZJFPVYWHD-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C3(O)CCOCC3)CC2)[nH]1 ZINC000330093375 159140860 /nfs/dbraw/zinc/14/08/60/159140860.db2.gz ZSFIQKSEGHPKFF-UHFFFAOYSA-N 0 0 308.382 0.615 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@@]1(O)CCSC1)C2 ZINC000330092082 159141114 /nfs/dbraw/zinc/14/11/14/159141114.db2.gz QLSUPIJPJZBZIV-CQSZACIVSA-N 0 0 309.391 0.016 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3C(C)=O)CCO2)cn1 ZINC000330085317 159141222 /nfs/dbraw/zinc/14/12/22/159141222.db2.gz CTXKXSDJAGYZIA-CABCVRRESA-N 0 0 320.393 0.814 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3ccncc23)C[C@@H]1C ZINC000330095064 159142037 /nfs/dbraw/zinc/14/20/37/159142037.db2.gz UUWWHTMFZUJBFD-NWDGAFQWSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCS1(=O)=O ZINC000330110381 159142230 /nfs/dbraw/zinc/14/22/30/159142230.db2.gz QLLWGYRXDLBWOH-FPMFFAJLSA-N 0 0 324.402 0.805 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C[C@@H](CO)O1 ZINC000330106542 159142282 /nfs/dbraw/zinc/14/22/82/159142282.db2.gz LAPBUCLSTSHRHY-CYUUQNCZSA-N 0 0 306.362 0.767 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330119309 159143062 /nfs/dbraw/zinc/14/30/62/159143062.db2.gz ZQMCTBMHLLIAQC-CZUORRHYSA-N 0 0 310.394 0.794 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)O1 ZINC000330190390 159148894 /nfs/dbraw/zinc/14/88/94/159148894.db2.gz WDGAEGWVWHODLZ-GBOPCIDUSA-N 0 0 322.405 0.982 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@H](O)C1CC1 ZINC000330202715 159149873 /nfs/dbraw/zinc/14/98/73/159149873.db2.gz ZQVXFWYMTDBLMI-KBPBESRZSA-N 0 0 318.439 0.468 10 0 DCAERN O=S(=O)(N[C@@H]1CCN(c2ncccc2Cl)C1)C1COC1 ZINC000330217810 159151589 /nfs/dbraw/zinc/15/15/89/159151589.db2.gz OCRDATCYVVCABC-SECBINFHSA-N 0 0 317.798 0.632 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330215686 159151963 /nfs/dbraw/zinc/15/19/63/159151963.db2.gz MPYXOAKNCUYMAD-UKRRQHHQSA-N 0 0 322.409 0.288 10 0 DCAERN CCC[C@@H](NS(=O)(=O)C1COC1)c1nnc2ccccn21 ZINC000330227512 159152623 /nfs/dbraw/zinc/15/26/23/159152623.db2.gz UZSVLUPIQGZOQB-LLVKDONJSA-N 0 0 310.379 0.889 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000330235569 159153132 /nfs/dbraw/zinc/15/31/32/159153132.db2.gz YWCOMYYYOJGLGF-RWMBFGLXSA-N 0 0 324.381 0.387 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000330299785 159157545 /nfs/dbraw/zinc/15/75/45/159157545.db2.gz MPAYSBQKNQPABI-QWHCGFSZSA-N 0 0 315.333 0.392 10 0 DCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000332770341 159213249 /nfs/dbraw/zinc/21/32/49/159213249.db2.gz IRUDPVOIOWMADI-VMUDFCTBSA-N 0 0 319.405 0.810 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CCSCC1 ZINC000332757965 159213251 /nfs/dbraw/zinc/21/32/51/159213251.db2.gz RRUNSPFKPLIVRL-SCDSUCTJSA-N 0 0 311.451 0.597 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)C1CC1)CC2 ZINC000332852761 159215405 /nfs/dbraw/zinc/21/54/05/159215405.db2.gz BGIMXJXITJBGER-RYUDHWBXSA-N 0 0 307.398 0.786 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)n1C1CC1 ZINC000367011406 159304315 /nfs/dbraw/zinc/30/43/15/159304315.db2.gz WQOUYBRLOZNRLD-INIZCTEOSA-N 0 0 305.378 0.892 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000367029948 159306847 /nfs/dbraw/zinc/30/68/47/159306847.db2.gz OLNBNRVTIIJVIF-VXGBXAGGSA-N 0 0 323.393 0.877 10 0 DCAERN CC(=O)N1Cc2ccc(NC(=O)C[C@@H]3NC(=O)NC3=O)cc2C1 ZINC000367030938 159306959 /nfs/dbraw/zinc/30/69/59/159306959.db2.gz SVJKJWFHRSLFOF-LBPRGKRZSA-N 0 0 316.317 0.085 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000367042278 159307618 /nfs/dbraw/zinc/30/76/18/159307618.db2.gz FYAFVOSYDSLXOC-UONOGXRCSA-N 0 0 319.471 0.109 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc2[nH]ccc21 ZINC000367119493 159314661 /nfs/dbraw/zinc/31/46/61/159314661.db2.gz QNOKBYGGVKCWLL-CZUORRHYSA-N 0 0 315.373 0.808 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NOCC(N)=O)CCC2=O)cc1C ZINC000367399991 159336815 /nfs/dbraw/zinc/33/68/15/159336815.db2.gz BWCRDTHQGKZIAR-LBPRGKRZSA-N 0 0 319.361 0.580 10 0 DCAERN NS(=O)(=O)C1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000371194129 159551385 /nfs/dbraw/zinc/55/13/85/159551385.db2.gz CLUWFQKLPMVZJD-UHFFFAOYSA-N 0 0 322.390 0.990 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000371353704 159562629 /nfs/dbraw/zinc/56/26/29/159562629.db2.gz JPKSUEPRXPMWJB-OPQQBVKSSA-N 0 0 310.300 0.735 10 0 DCAERN COc1ccccc1CCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371900409 159592389 /nfs/dbraw/zinc/59/23/89/159592389.db2.gz YFVFWTOQTSHZQC-HNNXBMFYSA-N 0 0 319.405 0.964 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000372673151 159637327 /nfs/dbraw/zinc/63/73/27/159637327.db2.gz LYBITIWCKMDFBJ-UPJWGTAASA-N 0 0 314.407 0.314 10 0 DCAERN COC(=O)CC1(CC(=O)N2CCO[C@H](C(N)=O)C2)CCCC1 ZINC000373649286 159691111 /nfs/dbraw/zinc/69/11/11/159691111.db2.gz MXWZBNOJYAGPIR-NSHDSACASA-N 0 0 312.366 0.213 10 0 DCAERN CC1(C)CN(C(=O)CN2CCCCC2=O)C[C@@]2(CCOC2)O1 ZINC000373692599 159693810 /nfs/dbraw/zinc/69/38/10/159693810.db2.gz GIYSYDSXINFKPO-MRXNPFEDSA-N 0 0 310.394 0.795 10 0 DCAERN Cn1nncc1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000375611327 159804380 /nfs/dbraw/zinc/80/43/80/159804380.db2.gz FVRHYENEVWEOMM-VIFPVBQESA-N 0 0 306.757 0.872 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000375952777 159829417 /nfs/dbraw/zinc/82/94/17/159829417.db2.gz DBQIHCHLAILCET-FDYHWXHSSA-N 0 0 322.409 0.163 10 0 DCAERN O=C(Cn1nnnc1-c1ccccn1)N1CCOC[C@@H]1C1CC1 ZINC000376290039 159849185 /nfs/dbraw/zinc/84/91/85/159849185.db2.gz QRAJTRSSNNCWDO-CYBMUJFWSA-N 0 0 314.349 0.373 10 0 DCAERN CON(C)C(=O)CCN1C(=O)NC2(CCSCC2)C1=O ZINC000376644334 159868716 /nfs/dbraw/zinc/86/87/16/159868716.db2.gz HOPGPMPARJCHMO-UHFFFAOYSA-N 0 0 301.368 0.214 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000377256877 159909027 /nfs/dbraw/zinc/90/90/27/159909027.db2.gz MRDVYTSPNAQPGS-HUUCEWRRSA-N 0 0 317.389 0.903 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](O)C3)C2)nn1 ZINC000377801636 159942249 /nfs/dbraw/zinc/94/22/49/159942249.db2.gz ZVFJPVUFPOMKTJ-KBPBESRZSA-N 0 0 319.409 0.920 10 0 DCAERN Cn1ccnc1CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000378435535 159982703 /nfs/dbraw/zinc/98/27/03/159982703.db2.gz NWPPTBZJSHPLAL-UHFFFAOYSA-N 0 0 318.356 0.986 10 0 DCAERN O=C1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCN1C1CC1 ZINC000407956732 159996427 /nfs/dbraw/zinc/99/64/27/159996427.db2.gz LCOSJBOFSVVXFR-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000407976163 160000843 /nfs/dbraw/zinc/00/08/43/160000843.db2.gz MNPUDJFLIXDOPF-UTUOFQBUSA-N 0 0 319.427 0.277 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000407974753 160000934 /nfs/dbraw/zinc/00/09/34/160000934.db2.gz UWVRYJMBYSRWQH-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN Cn1ncc2c1ncnc2N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000407977105 160000986 /nfs/dbraw/zinc/00/09/86/160000986.db2.gz QXVHLEADIQGWCN-WDEREUQCSA-N 0 0 324.410 0.636 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000407979232 160001909 /nfs/dbraw/zinc/00/19/09/160001909.db2.gz SXPHZTBMZYXUTO-KGLIPLIRSA-N 0 0 310.442 0.140 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCC2(OC)CCC(C)CC2)C1 ZINC000407984313 160002322 /nfs/dbraw/zinc/00/23/22/160002322.db2.gz AMYMCGAKYCDCFD-UHFFFAOYSA-N 0 0 312.414 0.905 10 0 DCAERN O=c1[n-]c([C@H]2CCCN(S(=O)(=O)CC(F)(F)F)C2)n[nH]1 ZINC000407989813 160004783 /nfs/dbraw/zinc/00/47/83/160004783.db2.gz LPDOWBFOKKOKPA-LURJTMIESA-N 0 0 314.289 0.582 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC000407990369 160004800 /nfs/dbraw/zinc/00/48/00/160004800.db2.gz NPTHZLROZAUJNL-MNOVXSKESA-N 0 0 310.354 0.257 10 0 DCAERN CN(C)c1nc(C(=O)N2CCC(O)(C(F)F)CC2)cc(=O)[nH]1 ZINC000407991850 160005407 /nfs/dbraw/zinc/00/54/07/160005407.db2.gz PYNPVHKZGYUQTQ-UHFFFAOYSA-N 0 0 316.308 0.480 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000407995543 160005922 /nfs/dbraw/zinc/00/59/22/160005922.db2.gz HYXSIBVORVLDMF-YPMHNXCESA-N 0 0 318.439 0.589 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C)(C)S(C)(=O)=O)[C@@H]2C1 ZINC000407994643 160006554 /nfs/dbraw/zinc/00/65/54/160006554.db2.gz DFGGMODNHLXXSV-UTUOFQBUSA-N 0 0 319.423 0.605 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408004483 160009142 /nfs/dbraw/zinc/00/91/42/160009142.db2.gz XXEHQNPGWJAQOS-NEPJUHHUSA-N 0 0 317.393 0.803 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)s1 ZINC000408011426 160010653 /nfs/dbraw/zinc/01/06/53/160010653.db2.gz QPKQLLKDGFSOHU-SECBINFHSA-N 0 0 324.449 0.362 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F)N1CCOCC1 ZINC000408011613 160010703 /nfs/dbraw/zinc/01/07/03/160010703.db2.gz YUBFIRWHBCGBOT-OUAUKWLOSA-N 0 0 310.316 0.621 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)C1 ZINC000408011140 160010744 /nfs/dbraw/zinc/01/07/44/160010744.db2.gz SNPRFBMCTUANSA-AXFHLTTASA-N 0 0 308.300 0.769 10 0 DCAERN C[C@H](O)[C@@H]1C[C@H](C)CCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015557 160010983 /nfs/dbraw/zinc/01/09/83/160010983.db2.gz CIAONWUOXPCCSR-XQHKEYJVSA-N 0 0 318.439 0.707 10 0 DCAERN CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)N1CCCCC1 ZINC000408015186 160011524 /nfs/dbraw/zinc/01/15/24/160011524.db2.gz BATGCAWINXRLMD-NWDGAFQWSA-N 0 0 308.444 0.465 10 0 DCAERN CC1CCN(S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000408016652 160012426 /nfs/dbraw/zinc/01/24/26/160012426.db2.gz MCCBOKDSINMZBZ-QWHCGFSZSA-N 0 0 322.471 0.711 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408017383 160012456 /nfs/dbraw/zinc/01/24/56/160012456.db2.gz RQYMVRPQQDYBHD-CHWSQXEVSA-N 0 0 305.444 0.368 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408018271 160012802 /nfs/dbraw/zinc/01/28/02/160012802.db2.gz ZPHMFMYAFMVJJR-XQQFMLRXSA-N 0 0 306.428 0.146 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CCO1 ZINC000408020226 160013785 /nfs/dbraw/zinc/01/37/85/160013785.db2.gz CKVKFUOPFJBBOV-APIJFGDWSA-N 0 0 311.426 0.916 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408023613 160014505 /nfs/dbraw/zinc/01/45/05/160014505.db2.gz SZSNWPIBNXMIPW-ZIAGYGMSSA-N 0 0 318.377 0.722 10 0 DCAERN O=S(=O)(N1C[C@@H](F)C[C@H]1CO)N1CCc2ccccc2C1 ZINC000408031248 160016414 /nfs/dbraw/zinc/01/64/14/160016414.db2.gz LRRYIBLDUXOOAX-KBPBESRZSA-N 0 0 314.382 0.694 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)o1 ZINC000408030259 160016938 /nfs/dbraw/zinc/01/69/38/160016938.db2.gz YHWLRJZDTRUCDL-VXGBXAGGSA-N 0 0 300.380 0.682 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000408036417 160018330 /nfs/dbraw/zinc/01/83/30/160018330.db2.gz SYXAALYABRPALR-UPJWGTAASA-N 0 0 307.398 0.825 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)N(C)C1 ZINC000408035616 160018882 /nfs/dbraw/zinc/01/88/82/160018882.db2.gz NCMXGBWOXBOJTO-CRWXNKLISA-N 0 0 311.426 0.611 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408038648 160019607 /nfs/dbraw/zinc/01/96/07/160019607.db2.gz OJCMQBHBLCGELR-NQBHXWOUSA-N 0 0 309.410 0.651 10 0 DCAERN CN(C)c1noc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000408042708 160020407 /nfs/dbraw/zinc/02/04/07/160020407.db2.gz IALCIQJAEPDRTR-XQQFMLRXSA-N 0 0 310.398 0.888 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccnc3ccnn32)C1 ZINC000408049737 160023439 /nfs/dbraw/zinc/02/34/39/160023439.db2.gz FATREVBLHQSAOF-CQSZACIVSA-N 0 0 303.322 0.041 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)C1CCN(CC(F)(F)F)CC1 ZINC000408051681 160023592 /nfs/dbraw/zinc/02/35/92/160023592.db2.gz IPJWSXVQJKKEKQ-JTQLQIEISA-N 0 0 307.316 0.656 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408051659 160023834 /nfs/dbraw/zinc/02/38/34/160023834.db2.gz LHFZNOHQGFZDQS-KBPBESRZSA-N 0 0 309.410 0.762 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCS1 ZINC000408054359 160024245 /nfs/dbraw/zinc/02/42/45/160024245.db2.gz RMLBOKXOOVLNED-GXTWGEPZSA-N 0 0 300.424 0.714 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408055526 160025212 /nfs/dbraw/zinc/02/52/12/160025212.db2.gz VOMOPRUYXUAPKV-FRRDWIJNSA-N 0 0 309.410 0.605 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000408055062 160025353 /nfs/dbraw/zinc/02/53/53/160025353.db2.gz QERGIPXXXIGXIH-WBMJQRKESA-N 0 0 312.410 0.822 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000408080388 160031667 /nfs/dbraw/zinc/03/16/67/160031667.db2.gz KKWOOLGKQZPXIY-GARJFASQSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408083045 160031958 /nfs/dbraw/zinc/03/19/58/160031958.db2.gz HXEDXASZSNGBLM-WOPDTQHZSA-N 0 0 319.427 0.135 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)cn1C ZINC000408087599 160032629 /nfs/dbraw/zinc/03/26/29/160032629.db2.gz FDNLZXZXFAFWKZ-CABZTGNLSA-N 0 0 316.379 0.203 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC(C)(C)CCCO ZINC000408093767 160034258 /nfs/dbraw/zinc/03/42/58/160034258.db2.gz XEWBYJGEJFPXOU-NEPJUHHUSA-N 0 0 308.444 0.729 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408093290 160034475 /nfs/dbraw/zinc/03/44/75/160034475.db2.gz ASBWPISAUAPCRB-SKDRFNHKSA-N 0 0 304.350 0.103 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408095525 160034865 /nfs/dbraw/zinc/03/48/65/160034865.db2.gz OAIIOEHZGADFPN-QWRGUYRKSA-N 0 0 311.382 0.637 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000408095979 160034961 /nfs/dbraw/zinc/03/49/61/160034961.db2.gz TUVPYXHTQLKFIL-UHFFFAOYSA-N 0 0 317.455 0.763 10 0 DCAERN Cc1oc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1S(N)(=O)=O ZINC000408094719 160035087 /nfs/dbraw/zinc/03/50/87/160035087.db2.gz IKGGYCXJLSZKGR-IONNQARKSA-N 0 0 302.352 0.078 10 0 DCAERN CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408099451 160035730 /nfs/dbraw/zinc/03/57/30/160035730.db2.gz ZXDGFPUXVOKFBU-UTUOFQBUSA-N 0 0 316.423 0.232 10 0 DCAERN C[C@H]1CN(c2ccc(S(C)(=O)=O)cn2)CC[S@](=O)C1 ZINC000408108597 160037187 /nfs/dbraw/zinc/03/71/87/160037187.db2.gz BIYOWSVHNUIWSS-YPMLDQLKSA-N 0 0 302.421 0.690 10 0 DCAERN CC[C@H]1CO[C@@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408109281 160038236 /nfs/dbraw/zinc/03/82/36/160038236.db2.gz WMSTVUOXWHSUDI-QWRGUYRKSA-N 0 0 319.365 0.156 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000408115946 160039735 /nfs/dbraw/zinc/03/97/35/160039735.db2.gz NCYOJRFPMULDDV-IEBDPFPHSA-N 0 0 314.363 0.533 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408117923 160040253 /nfs/dbraw/zinc/04/02/53/160040253.db2.gz JRFZLIFXEWALCY-RYUDHWBXSA-N 0 0 321.443 0.141 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cncc(F)c1 ZINC000408118029 160040509 /nfs/dbraw/zinc/04/05/09/160040509.db2.gz LINCCOPZXOYDGN-LLVKDONJSA-N 0 0 301.343 0.462 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408127174 160042734 /nfs/dbraw/zinc/04/27/34/160042734.db2.gz DHVUFDUBUCKWES-CHWSQXEVSA-N 0 0 307.394 0.326 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000408132229 160044114 /nfs/dbraw/zinc/04/41/14/160044114.db2.gz JAPNQCPXXKCJTF-NEPJUHHUSA-N 0 0 301.412 0.838 10 0 DCAERN CN1CN(S(=O)(=O)c2ccccc2Br)CC1=O ZINC000408132574 160044157 /nfs/dbraw/zinc/04/41/57/160044157.db2.gz KENRHVXCHOZJMI-UHFFFAOYSA-N 0 0 319.180 0.869 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408132210 160044487 /nfs/dbraw/zinc/04/44/87/160044487.db2.gz IVMICRSKDLZUBB-VXGBXAGGSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@@H]1CO ZINC000408139774 160045816 /nfs/dbraw/zinc/04/58/16/160045816.db2.gz PMDBECMNIWLKBW-TZMCWYRMSA-N 0 0 311.426 0.999 10 0 DCAERN Cn1ccnc1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408139811 160046281 /nfs/dbraw/zinc/04/62/81/160046281.db2.gz PJQJFQDBOMLJDI-ZDUSSCGKSA-N 0 0 319.409 0.964 10 0 DCAERN CC(C)(C)n1nnnc1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408146543 160047644 /nfs/dbraw/zinc/04/76/44/160047644.db2.gz QIWKVVDTIYWLIH-SECBINFHSA-N 0 0 319.456 0.802 10 0 DCAERN CN1CC[C@@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@H]2C1 ZINC000408147270 160047871 /nfs/dbraw/zinc/04/78/71/160047871.db2.gz BSBRQKVBJVQXMT-NEPJUHHUSA-N 0 0 303.428 0.157 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000408156508 160049359 /nfs/dbraw/zinc/04/93/59/160049359.db2.gz ZETAJHIEYMAUIK-LLVKDONJSA-N 0 0 305.444 0.952 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000408153864 160049399 /nfs/dbraw/zinc/04/93/99/160049399.db2.gz GSVVKIRQGZBBPM-LLVKDONJSA-N 0 0 303.428 0.564 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)o1 ZINC000408175460 160052837 /nfs/dbraw/zinc/05/28/37/160052837.db2.gz SVGGBQIABQVPRD-UHFFFAOYSA-N 0 0 315.347 0.867 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCOCC3(CC3)C2)co1 ZINC000408178051 160053291 /nfs/dbraw/zinc/05/32/91/160053291.db2.gz UOGGVRNQGWYXMR-UHFFFAOYSA-N 0 0 300.336 0.180 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCC[C@H](O)CC1 ZINC000408178721 160053683 /nfs/dbraw/zinc/05/36/83/160053683.db2.gz SSDOOTUZGHMAIT-LBPRGKRZSA-N 0 0 301.346 0.770 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000408184330 160055205 /nfs/dbraw/zinc/05/52/05/160055205.db2.gz AZSBKPQUASXWEM-UHFFFAOYSA-N 0 0 314.411 0.018 10 0 DCAERN O=C(CN1CCC[C@](O)(C(F)(F)F)C1)NC(=O)NC1CC1 ZINC000408187836 160055713 /nfs/dbraw/zinc/05/57/13/160055713.db2.gz ANYURIPEDHLGKL-LLVKDONJSA-N 0 0 309.288 0.364 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408189053 160055841 /nfs/dbraw/zinc/05/58/41/160055841.db2.gz VHBYWGNYXRJWFR-CRWXNKLISA-N 0 0 324.446 0.917 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCCCS1(=O)=O ZINC000408193219 160056802 /nfs/dbraw/zinc/05/68/02/160056802.db2.gz QXCLVTWVAJDHID-SNVBAGLBSA-N 0 0 304.412 0.327 10 0 DCAERN CN1CCc2ccc(C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc21 ZINC000408194432 160057061 /nfs/dbraw/zinc/05/70/61/160057061.db2.gz IAMSLQRQVUYKTK-LBPRGKRZSA-N 0 0 309.391 0.182 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)c2n1 ZINC000408197589 160057655 /nfs/dbraw/zinc/05/76/55/160057655.db2.gz KPYMWBCLMXLCMP-SNVBAGLBSA-N 0 0 308.363 0.297 10 0 DCAERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408198665 160058257 /nfs/dbraw/zinc/05/82/57/160058257.db2.gz URIXLTUMWGEHMP-ZJUUUORDSA-N 0 0 313.423 0.786 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ncccc3F)CC2)CC(=O)N1 ZINC000408202179 160059030 /nfs/dbraw/zinc/05/90/30/160059030.db2.gz LMGSNWSHETWNCU-RYUDHWBXSA-N 0 0 320.368 0.784 10 0 DCAERN O=C(c1cnc2n[nH]nc2c1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408206194 160060151 /nfs/dbraw/zinc/06/01/51/160060151.db2.gz SQSVBPMEQXDHSI-NSHDSACASA-N 0 0 315.255 0.882 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408206406 160060157 /nfs/dbraw/zinc/06/01/57/160060157.db2.gz TXNLJNAXFWAUPD-QMMMGPOBSA-N 0 0 301.368 0.620 10 0 DCAERN CC1CCN(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408220395 160063143 /nfs/dbraw/zinc/06/31/43/160063143.db2.gz WBNMCNILFHWAAA-CYBMUJFWSA-N 0 0 302.440 0.611 10 0 DCAERN Cc1cnc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(O)c1 ZINC000408223370 160063154 /nfs/dbraw/zinc/06/31/54/160063154.db2.gz ISTJBYURFWWRTA-STQMWFEESA-N 0 0 305.378 0.888 10 0 DCAERN Cn1ccc(CCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)n1 ZINC000408222486 160063277 /nfs/dbraw/zinc/06/32/77/160063277.db2.gz QHBJGGPJBLOVIX-OAHLLOKOSA-N 0 0 305.382 0.274 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000408220809 160063283 /nfs/dbraw/zinc/06/32/83/160063283.db2.gz ZSDPENNDEMXMSX-ZIAGYGMSSA-N 0 0 323.418 0.652 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408225464 160063888 /nfs/dbraw/zinc/06/38/88/160063888.db2.gz KODQMOGVCNTVTA-WCBMZHEXSA-N 0 0 312.313 0.434 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)C1(F)F ZINC000408230501 160064732 /nfs/dbraw/zinc/06/47/32/160064732.db2.gz BJGNAVQHNHLMBP-ZYUZMQFOSA-N 0 0 310.366 0.722 10 0 DCAERN O=S1(=O)CCN(C[C@H](O)C(F)(F)F)[C@@H]2CCCC[C@@H]21 ZINC000408232014 160064859 /nfs/dbraw/zinc/06/48/59/160064859.db2.gz LCWYTUCKKAZGCA-UTLUCORTSA-N 0 0 301.330 0.951 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)n1 ZINC000408233911 160065316 /nfs/dbraw/zinc/06/53/16/160065316.db2.gz BXTIZMIBFJHICB-YIZRAAEISA-N 0 0 304.372 0.383 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)CCC1 ZINC000408234738 160065771 /nfs/dbraw/zinc/06/57/71/160065771.db2.gz HCKKIQFWGCIJQS-MNOVXSKESA-N 0 0 305.396 0.362 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000408236315 160065875 /nfs/dbraw/zinc/06/58/75/160065875.db2.gz HXULRQWQVJZKFA-UWVGGRQHSA-N 0 0 322.377 0.774 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cnns1 ZINC000408240439 160066704 /nfs/dbraw/zinc/06/67/04/160066704.db2.gz CVJGPDLKJWOWPK-JGVFFNPUSA-N 0 0 304.397 0.128 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000408241082 160066773 /nfs/dbraw/zinc/06/67/73/160066773.db2.gz SEXLVGLRAWRCMR-GRYCIOLGSA-N 0 0 317.407 0.611 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cn1 ZINC000408241132 160066846 /nfs/dbraw/zinc/06/68/46/160066846.db2.gz HWGHYYCVCONLIJ-QWRGUYRKSA-N 0 0 300.384 0.010 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CC1CCOCC1 ZINC000408242760 160067564 /nfs/dbraw/zinc/06/75/64/160067564.db2.gz XWOVHCCLMKHIGW-STQMWFEESA-N 0 0 318.439 0.780 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000408243283 160067891 /nfs/dbraw/zinc/06/78/91/160067891.db2.gz FRUSMXNEUBQADQ-HZSPNIEDSA-N 0 0 320.455 0.394 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408245813 160068337 /nfs/dbraw/zinc/06/83/37/160068337.db2.gz YAPJDFJGLBDLAS-NEPJUHHUSA-N 0 0 304.412 0.488 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CCO1 ZINC000408258040 160070530 /nfs/dbraw/zinc/07/05/30/160070530.db2.gz XIQAISICYOUTMF-PGUXBMHVSA-N 0 0 314.382 0.773 10 0 DCAERN CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000408258791 160071301 /nfs/dbraw/zinc/07/13/01/160071301.db2.gz BEHCANSAINIFSI-LLVKDONJSA-N 0 0 319.409 0.238 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259451 160071350 /nfs/dbraw/zinc/07/13/50/160071350.db2.gz LVWDLVKCDHJZQV-OAHLLOKOSA-N 0 0 310.398 0.070 10 0 DCAERN Cn1nc(CC(=O)N2C[C@@H](O)C(C)(C)C2)c2ccccc2c1=O ZINC000408265370 160071874 /nfs/dbraw/zinc/07/18/74/160071874.db2.gz KEGQYPMESNOOQV-CQSZACIVSA-N 0 0 315.373 0.705 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCCN(CC)C(=O)C1 ZINC000408271640 160073379 /nfs/dbraw/zinc/07/33/79/160073379.db2.gz QSJDYCKQZSYCOH-UHFFFAOYSA-N 0 0 300.384 0.146 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cnn1 ZINC000408274465 160074132 /nfs/dbraw/zinc/07/41/32/160074132.db2.gz LFVMESFELURLHZ-NWDGAFQWSA-N 0 0 312.395 0.375 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@H](c3ccco3)C2)N(C(C)=O)C1 ZINC000408275154 160074180 /nfs/dbraw/zinc/07/41/80/160074180.db2.gz VJVSZZJZPPMXOF-GUTXKFCHSA-N 0 0 322.361 0.815 10 0 DCAERN CCC1(CC)CN(C(=O)CS(=O)(=O)N(C)C)CC[S@]1=O ZINC000408276527 160074235 /nfs/dbraw/zinc/07/42/35/160074235.db2.gz JGTNUGYFCSPZJT-LJQANCHMSA-N 0 0 324.468 0.028 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408276607 160074717 /nfs/dbraw/zinc/07/47/17/160074717.db2.gz JSXAJPJGUHVBDG-PTRXPTGYSA-N 0 0 309.370 0.074 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000408284275 160076164 /nfs/dbraw/zinc/07/61/64/160076164.db2.gz VXSWNYJUCYNAPK-LBPRGKRZSA-N 0 0 324.406 0.151 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCCCCO1 ZINC000408284875 160076862 /nfs/dbraw/zinc/07/68/62/160076862.db2.gz BHWCEIZGJZRNRC-LLVKDONJSA-N 0 0 306.384 0.676 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000408294218 160078418 /nfs/dbraw/zinc/07/84/18/160078418.db2.gz LCWJFVFBIGVXRI-RWMBFGLXSA-N 0 0 320.393 0.733 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)C1(N3CCOCC3)CCC1)CCO2 ZINC000408298772 160079328 /nfs/dbraw/zinc/07/93/28/160079328.db2.gz QKBVPKWFVXUNHD-WMLDXEAASA-N 0 0 324.421 0.648 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000408299154 160080027 /nfs/dbraw/zinc/08/00/27/160080027.db2.gz SOOLDJSKPLYZRS-NSHDSACASA-N 0 0 318.333 0.874 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000408306529 160081668 /nfs/dbraw/zinc/08/16/68/160081668.db2.gz AFVUDAVVMKHRQY-HZNYWTHISA-N 0 0 301.412 0.208 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000408323163 160085010 /nfs/dbraw/zinc/08/50/10/160085010.db2.gz XORWESFVAZOQOP-VIFPVBQESA-N 0 0 312.317 0.882 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N3CC[C@](C)(O)C3)CCC(=O)N2C)cn1 ZINC000408330833 160086057 /nfs/dbraw/zinc/08/60/57/160086057.db2.gz OMJFCIYFAOTWQM-NOLJZWGESA-N 0 0 320.393 0.313 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1CCCC[C@H]1C ZINC000408334428 160086826 /nfs/dbraw/zinc/08/68/26/160086826.db2.gz AALMKRNUTYGAER-ZJUUUORDSA-N 0 0 308.400 0.008 10 0 DCAERN CC1(C)CN(C(=O)[C@H](CO)NC(N)=O)CC[C@@H]1C(F)(F)F ZINC000408341723 160088074 /nfs/dbraw/zinc/08/80/74/160088074.db2.gz IGDMHVPKXAMZBG-YUMQZZPRSA-N 0 0 311.304 0.453 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000408343135 160088333 /nfs/dbraw/zinc/08/83/33/160088333.db2.gz NNIPZVFWTRBAEO-GARJFASQSA-N 0 0 318.464 0.666 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408343958 160088915 /nfs/dbraw/zinc/08/89/15/160088915.db2.gz UKXRUSRAFIPYLC-NSHDSACASA-N 0 0 300.384 0.192 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408350522 160090063 /nfs/dbraw/zinc/09/00/63/160090063.db2.gz RXVSADCVAZWFQU-FRRDWIJNSA-N 0 0 315.435 0.869 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000408353928 160090677 /nfs/dbraw/zinc/09/06/77/160090677.db2.gz FHNAFNOTPAHSCX-QJPTWQEYSA-N 0 0 310.398 0.339 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@H]1OC ZINC000408359403 160091443 /nfs/dbraw/zinc/09/14/43/160091443.db2.gz UNDMVULUWZUNMN-KYXWUPHJSA-N 0 0 324.299 0.316 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408360174 160091628 /nfs/dbraw/zinc/09/16/28/160091628.db2.gz YGBIFLOIUABGLM-MNOVXSKESA-N 0 0 317.407 0.611 10 0 DCAERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000408381785 160096120 /nfs/dbraw/zinc/09/61/20/160096120.db2.gz ODHPRKMIYZNJLE-JMJZKYOTSA-N 0 0 302.400 0.889 10 0 DCAERN CNS(=O)(=O)NC1CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000408380215 160096212 /nfs/dbraw/zinc/09/62/12/160096212.db2.gz VMTYBWDQWARXJD-LLVKDONJSA-N 0 0 313.427 0.364 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000408385467 160096535 /nfs/dbraw/zinc/09/65/35/160096535.db2.gz KQIHDLZQTRZXJB-CYBMUJFWSA-N 0 0 302.334 0.495 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 ZINC000408385430 160096975 /nfs/dbraw/zinc/09/69/75/160096975.db2.gz LXVDSDLETGANIB-SNVBAGLBSA-N 0 0 322.394 0.419 10 0 DCAERN C[C@H]1CC[S@@](=O)CCN1CC(=O)N(C)c1nccs1 ZINC000408391141 160098304 /nfs/dbraw/zinc/09/83/04/160098304.db2.gz BIPDPCKVZVKMHH-APBUJDDRSA-N 0 0 301.437 0.949 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1CCSC1 ZINC000408398649 160100299 /nfs/dbraw/zinc/10/02/99/160100299.db2.gz ZTDCEHCWUZHJMY-QWRGUYRKSA-N 0 0 308.407 0.608 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000408410559 160102715 /nfs/dbraw/zinc/10/27/15/160102715.db2.gz URLZTPGEUCCNGH-SECBINFHSA-N 0 0 305.334 0.701 10 0 DCAERN O=C(c1ccccc1O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408410455 160102778 /nfs/dbraw/zinc/10/27/78/160102778.db2.gz REMNZGKOIBANTM-YPMHNXCESA-N 0 0 322.336 0.804 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCC2([S@](C)=O)CCC2)C1 ZINC000408414653 160103653 /nfs/dbraw/zinc/10/36/53/160103653.db2.gz HESPKVWHFZHPNN-QKVFXAPYSA-N 0 0 315.439 0.598 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@@]2(O)CCCC(C)(C)C2)C1=O ZINC000408415603 160103654 /nfs/dbraw/zinc/10/36/54/160103654.db2.gz KLFTYEUWTIXJPQ-OAHLLOKOSA-N 0 0 311.382 0.328 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)C3(O)CCCC3)CCO2)n1 ZINC000408421930 160104244 /nfs/dbraw/zinc/10/42/44/160104244.db2.gz CREONBHFFZTRMX-CYBMUJFWSA-N 0 0 308.382 0.427 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000408421945 160105299 /nfs/dbraw/zinc/10/52/99/160105299.db2.gz CXPWXUZLPTVWEO-SNVBAGLBSA-N 0 0 315.395 0.105 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCO1 ZINC000408440850 160108155 /nfs/dbraw/zinc/10/81/55/160108155.db2.gz BHNGXRNWUOYUPM-AAEUAGOBSA-N 0 0 304.412 0.343 10 0 DCAERN Cn1nccc1CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408438619 160108678 /nfs/dbraw/zinc/10/86/78/160108678.db2.gz JMVFMVFRIDUXRL-CYBMUJFWSA-N 0 0 304.394 0.824 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408456710 160112517 /nfs/dbraw/zinc/11/25/17/160112517.db2.gz KMQDLLIVGGIEFQ-MNOVXSKESA-N 0 0 313.441 0.108 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)c2cccc(O)c21 ZINC000408456895 160112524 /nfs/dbraw/zinc/11/25/24/160112524.db2.gz MBCQFSDUZDAGJI-SECBINFHSA-N 0 0 313.379 0.286 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3CC(C)(O)C3)C2)n(C)n1 ZINC000408458447 160112969 /nfs/dbraw/zinc/11/29/69/160112969.db2.gz UGDVMKIKBZATAW-UYJPIKCFSA-N 0 0 306.410 0.975 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000408460157 160113780 /nfs/dbraw/zinc/11/37/80/160113780.db2.gz MAXIGUSGPDNWSH-ZOBORPQBSA-N 0 0 320.455 0.271 10 0 DCAERN COCCNC(=O)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000031221610 286884518 /nfs/dbraw/zinc/88/45/18/286884518.db2.gz RNVNXLISNLQOKU-UHFFFAOYSA-N 0 0 312.370 0.179 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(C)cc1 ZINC000057050814 286899343 /nfs/dbraw/zinc/89/93/43/286899343.db2.gz NHOSQHSMIULTSE-CYBMUJFWSA-N 0 0 305.378 0.942 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000070302963 286909801 /nfs/dbraw/zinc/90/98/01/286909801.db2.gz SLUVKHPVLOZBLM-GFCCVEGCSA-N 0 0 313.375 0.859 10 0 DCAERN COCCOCCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000091626774 286936527 /nfs/dbraw/zinc/93/65/27/286936527.db2.gz ZELMWQSHXNSFTM-UHFFFAOYSA-N 0 0 312.414 0.932 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000120511354 286951888 /nfs/dbraw/zinc/95/18/88/286951888.db2.gz PHCNPGNFEPUASV-QWRGUYRKSA-N 0 0 314.407 0.965 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)n1 ZINC000121015892 286953576 /nfs/dbraw/zinc/95/35/76/286953576.db2.gz CFMFVCYFTKGYKW-LBPRGKRZSA-N 0 0 308.382 0.851 10 0 DCAERN COCCOc1cccc(CC(=O)N2CCNC(=O)CC2)c1 ZINC000122353504 286957706 /nfs/dbraw/zinc/95/77/06/286957706.db2.gz KIZBAOUARHZXGU-UHFFFAOYSA-N 0 0 306.362 0.603 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000123293560 286960100 /nfs/dbraw/zinc/96/01/00/286960100.db2.gz HKJGBMUOTVMUSK-UHFFFAOYSA-N 0 0 313.357 0.739 10 0 DCAERN C[C@H](CO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126263858 286970283 /nfs/dbraw/zinc/97/02/83/286970283.db2.gz RJPWYUKSGQBABB-WDEREUQCSA-N 0 0 304.350 0.465 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000128071656 286981175 /nfs/dbraw/zinc/98/11/75/286981175.db2.gz JBKMTBYIAIDNIQ-JTQLQIEISA-N 0 0 314.345 0.664 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000132224052 287004236 /nfs/dbraw/zinc/00/42/36/287004236.db2.gz JUQODMIRWGYLQF-RYUDHWBXSA-N 0 0 324.425 0.779 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366134409 287004683 /nfs/dbraw/zinc/00/46/83/287004683.db2.gz GDBVRKYDEQLUGQ-RQJABVFESA-N 0 0 311.426 0.741 10 0 DCAERN C[C@]1(NC(=O)c2nc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1 ZINC000131629551 287001451 /nfs/dbraw/zinc/00/14/51/287001451.db2.gz QMGNEHPCRZFAKY-AWEZNQCLSA-N 0 0 321.358 0.230 10 0 DCAERN COc1cc(C)cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1O ZINC000134390298 287016216 /nfs/dbraw/zinc/01/62/16/287016216.db2.gz RXLJRMCXZMBRKJ-TZMCWYRMSA-N 0 0 306.362 0.864 10 0 DCAERN CCc1cccc2c(CC(=O)NC[C@H](O)C(=O)OC)c[nH]c21 ZINC000135091644 287020137 /nfs/dbraw/zinc/02/01/37/287020137.db2.gz JUNPZSUNFLLGKQ-ZDUSSCGKSA-N 0 0 304.346 0.923 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000135697229 287023956 /nfs/dbraw/zinc/02/39/56/287023956.db2.gz SYLHGBFFLXYCFM-JHJVBQTASA-N 0 0 306.428 0.146 10 0 DCAERN CCc1ccc(O)c(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000135574331 287023566 /nfs/dbraw/zinc/02/35/66/287023566.db2.gz DSCHTXYLLBEPQA-ZDUSSCGKSA-N 0 0 308.378 0.378 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000152755488 287044248 /nfs/dbraw/zinc/04/42/48/287044248.db2.gz JULCXADWJFTDND-LSDHHAIUSA-N 0 0 322.405 0.260 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC([C@H](C)O)CC1 ZINC000152807155 287044461 /nfs/dbraw/zinc/04/44/61/287044461.db2.gz BTPCWSCEBOCNDK-NSHDSACASA-N 0 0 308.382 0.851 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000153520137 287050864 /nfs/dbraw/zinc/05/08/64/287050864.db2.gz HBUABTWTTBRGSD-UHFFFAOYSA-N 0 0 323.378 0.814 10 0 DCAERN C[C@@H](CNC(=O)N[C@H](CCO)c1ccco1)N1CCOCC1 ZINC000187122250 287058539 /nfs/dbraw/zinc/05/85/39/287058539.db2.gz MKXXPSWPHDPACH-QWHCGFSZSA-N 0 0 311.382 0.723 10 0 DCAERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000195392488 287063082 /nfs/dbraw/zinc/06/30/82/287063082.db2.gz SLXZBHVNEHHKQE-GXTWGEPZSA-N 0 0 318.373 0.960 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)O)cc1 ZINC000228199961 287063646 /nfs/dbraw/zinc/06/36/46/287063646.db2.gz FNUVDVCQLWRLQV-VHSXEESVSA-N 0 0 300.380 0.484 10 0 DCAERN CC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000245907109 287074036 /nfs/dbraw/zinc/07/40/36/287074036.db2.gz MDAMCKYKRZMIRK-CYDGBPFRSA-N 0 0 306.428 0.888 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCc2nccs2)[C@@H](C)CO1 ZINC000246287777 287080756 /nfs/dbraw/zinc/08/07/56/287080756.db2.gz VYQYGHXRGAIPSX-UWVGGRQHSA-N 0 0 305.425 0.629 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CCN1C[C@H](C)O ZINC000246196216 287078879 /nfs/dbraw/zinc/07/88/79/287078879.db2.gz OMJGARAGYXUWIY-MJBXVCDLSA-N 0 0 320.455 0.272 10 0 DCAERN CN(C(=O)N[C@H]1CCOC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246426363 287083525 /nfs/dbraw/zinc/08/35/25/287083525.db2.gz AXGXJHFFYPGTDV-STQMWFEESA-N 0 0 305.382 0.876 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246486304 287084331 /nfs/dbraw/zinc/08/43/31/287084331.db2.gz GWYBBNPOUQIMEN-NWDGAFQWSA-N 0 0 305.382 0.708 10 0 DCAERN CCC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000246350284 287081868 /nfs/dbraw/zinc/08/18/68/287081868.db2.gz IZJIAGCMUKDGLX-VXGBXAGGSA-N 0 0 303.428 0.564 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000246728905 287087221 /nfs/dbraw/zinc/08/72/21/287087221.db2.gz VSMOSJDOUVMNOS-XRNSZHNASA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000246854899 287088619 /nfs/dbraw/zinc/08/86/19/287088619.db2.gz DHBDHMNLJLTUKH-RNJOBUHISA-N 0 0 308.378 0.797 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000247964837 287095400 /nfs/dbraw/zinc/09/54/00/287095400.db2.gz GGDWVOMTMBWHGB-FRRDWIJNSA-N 0 0 317.455 0.762 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]2CCCC[C@H]21 ZINC000248406178 287096619 /nfs/dbraw/zinc/09/66/19/287096619.db2.gz AZGJKLBCMQTVDZ-FRRDWIJNSA-N 0 0 305.378 0.584 10 0 DCAERN COc1ccc2c(c1)N(C[C@@H](O)CN1CCOCC1)C[C@@H](C)O2 ZINC000247548985 287094569 /nfs/dbraw/zinc/09/45/69/287094569.db2.gz PSOPQKILPBQFGS-KGLIPLIRSA-N 0 0 322.405 0.976 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)C[C@H](CO)O1 ZINC000248865363 287102308 /nfs/dbraw/zinc/10/23/08/287102308.db2.gz AVIUUVJIJQAASW-IJLUTSLNSA-N 0 0 311.407 0.720 10 0 DCAERN COCCO[C@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000249080991 287106071 /nfs/dbraw/zinc/10/60/71/287106071.db2.gz QPMAVEGAXOIMHB-KBPBESRZSA-N 0 0 322.409 0.679 10 0 DCAERN COC(=O)[C@@H]1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000249105252 287106338 /nfs/dbraw/zinc/10/63/38/287106338.db2.gz QFSJNZUGBYQIMS-YIYPIFLZSA-N 0 0 312.410 0.753 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC2(C)C)C[C@H](C)O1 ZINC000249137195 287107054 /nfs/dbraw/zinc/10/70/54/287107054.db2.gz FACGLIWIKNWFAD-QQKBFRNYSA-N 0 0 324.468 0.183 10 0 DCAERN CCOC(=O)[C@H](CC)N(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000249263143 287108438 /nfs/dbraw/zinc/10/84/38/287108438.db2.gz ICSGCNQVSPLJHP-GJZGRUSLSA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000249697269 287117403 /nfs/dbraw/zinc/11/74/03/287117403.db2.gz ATBIDPRSRFVCKL-NWDGAFQWSA-N 0 0 303.428 0.564 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCC[C@H]2CCO)CC1 ZINC000253204287 287121014 /nfs/dbraw/zinc/12/10/14/287121014.db2.gz NBYKCQTZQSOUMS-KKUMJFAQSA-N 0 0 313.442 0.636 10 0 DCAERN O[C@H](Cn1nnnc1/C=C\c1ccccc1)CN1CCOCC1 ZINC000255593489 287125813 /nfs/dbraw/zinc/12/58/13/287125813.db2.gz RZRNFCVRJABSEF-XHPSBEMXSA-N 0 0 315.377 0.537 10 0 DCAERN COCCN1CCCN(C(=O)c2ccnc(F)c2F)CC1=O ZINC000193669995 292528199 /nfs/dbraw/zinc/52/81/99/292528199.db2.gz LZXKWHLGWKFDEF-UHFFFAOYSA-N 0 0 313.304 0.681 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000357267323 287204796 /nfs/dbraw/zinc/20/47/96/287204796.db2.gz UTIDRAVGRLFJEP-NSHDSACASA-N 0 0 324.402 0.498 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1cn(Cc2ccccn2)nn1 ZINC000358307665 287206341 /nfs/dbraw/zinc/20/63/41/287206341.db2.gz NYYUEZNKSFMHJK-LBPRGKRZSA-N 0 0 301.350 0.470 10 0 DCAERN NS(=O)(=O)c1ccccc1CNC(=O)Cc1cccc(O)c1 ZINC000360513250 287216421 /nfs/dbraw/zinc/21/64/21/287216421.db2.gz XCPULFGFPKCORT-UHFFFAOYSA-N 0 0 320.370 0.899 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[S@@](=O)CC[C@H]1C ZINC000408396281 287234120 /nfs/dbraw/zinc/23/41/20/287234120.db2.gz STHGVEOGMSXZGR-GIPWTMENSA-N 0 0 303.428 0.311 10 0 DCAERN CN(C)c1cccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000005598743 415133264 /nfs/dbraw/zinc/13/32/64/415133264.db2.gz AMQOUPDRYUDGKF-LBPRGKRZSA-N 0 0 318.420 0.681 10 0 DCAERN C[C@H](NC(=O)[C@H](N)CC(N)=O)c1cccc(Br)c1 ZINC000037626926 415195402 /nfs/dbraw/zinc/19/54/02/415195402.db2.gz SRFNCZCGDYFUIM-OIBJUYFYSA-N 0 0 314.183 0.829 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000046594886 415259331 /nfs/dbraw/zinc/25/93/31/415259331.db2.gz GVVYACCFSVKZEE-SSDOTTSWSA-N 0 0 320.271 0.696 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000048038571 415283529 /nfs/dbraw/zinc/28/35/29/415283529.db2.gz DGBRTXKUNYCZMY-LLVKDONJSA-N 0 0 316.365 0.716 10 0 DCAERN O=C1[C@@H]2COCCN2C(=O)N1[C@H]1CCCN(c2ncccn2)C1 ZINC000272369286 415286213 /nfs/dbraw/zinc/28/62/13/415286213.db2.gz ZSVAEHHHXATQQQ-RYUDHWBXSA-N 0 0 317.349 0.108 10 0 DCAERN COC(=O)CCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000063995682 415349631 /nfs/dbraw/zinc/34/96/31/415349631.db2.gz WDOGLUHDXMXARA-OAHLLOKOSA-N 0 0 322.405 0.607 10 0 DCAERN CCN(C1CCN(CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000066884374 415371931 /nfs/dbraw/zinc/37/19/31/415371931.db2.gz JZQOGSQFHKDOLV-UHFFFAOYSA-N 0 0 319.471 0.647 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)CCn2cncn2)cn1 ZINC000275403274 415377901 /nfs/dbraw/zinc/37/79/01/415377901.db2.gz NQFMBXUCNFQGQW-SWLSCSKDSA-N 0 0 317.349 0.718 10 0 DCAERN CC(C)COC1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000067844589 415389996 /nfs/dbraw/zinc/38/99/96/415389996.db2.gz YGNVHFNHDSHTIU-NSHDSACASA-N 0 0 306.428 0.588 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOC[C@H]2CC(F)F)CC1 ZINC000353285372 415495176 /nfs/dbraw/zinc/49/51/76/415495176.db2.gz ITVDUXXZJCRFCS-GFCCVEGCSA-N 0 0 319.352 0.033 10 0 DCAERN CCOCCNC(=O)COc1cc(Cl)ccc1C(N)=O ZINC000084505730 415496546 /nfs/dbraw/zinc/49/65/46/415496546.db2.gz NYMMJJWNGHJPFL-UHFFFAOYSA-N 0 0 300.742 0.970 10 0 DCAERN O=C(NCCN1CCOCC1)c1ccc(-c2cncnc2)nc1 ZINC000075502076 415445348 /nfs/dbraw/zinc/44/53/48/415445348.db2.gz WONSCASNPWRWSE-UHFFFAOYSA-N 0 0 313.361 0.601 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000078246649 415462993 /nfs/dbraw/zinc/46/29/93/415462993.db2.gz SRUDJRMMPPVRAC-JTQLQIEISA-N 0 0 310.741 0.230 10 0 DCAERN Cn1cc(Br)c(C(=O)N2CCO[C@H](CO)C2)n1 ZINC000343138828 415471711 /nfs/dbraw/zinc/47/17/11/415471711.db2.gz NXHKUWWPMLNQKI-ZETCQYMHSA-N 0 0 304.144 0.016 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1F ZINC000088234708 415513732 /nfs/dbraw/zinc/51/37/32/415513732.db2.gz GESYWBOAGQUYSW-LLVKDONJSA-N 0 0 319.336 0.872 10 0 DCAERN Cc1ccc(CNC(=O)N2CCN(C3CC3)CC2)c(=O)n1C ZINC000279133316 415514532 /nfs/dbraw/zinc/51/45/32/415514532.db2.gz YKUOGBVPNJIVHR-UHFFFAOYSA-N 0 0 304.394 0.683 10 0 DCAERN Cn1cc(NC(=O)Cc2cccc(F)c2F)c(=O)n(C)c1=O ZINC000087316688 415514868 /nfs/dbraw/zinc/51/48/68/415514868.db2.gz QQOWQESTKLNNDV-UHFFFAOYSA-N 0 0 309.272 0.543 10 0 DCAERN O=C(CCn1cncn1)Nc1c[nH]cc(Br)c1=O ZINC000089990429 415524389 /nfs/dbraw/zinc/52/43/89/415524389.db2.gz WXGLGBKNBFWRES-UHFFFAOYSA-N 0 0 312.127 0.758 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1ccc(Br)cc1O ZINC000090287211 415530448 /nfs/dbraw/zinc/53/04/48/415530448.db2.gz YSPKTIPEFRCMKO-LLVKDONJSA-N 0 0 304.140 0.628 10 0 DCAERN COCCN(CC(=O)N(C)C)Cc1cnc2nc(C)cc(C)n12 ZINC000091774097 415539587 /nfs/dbraw/zinc/53/95/87/415539587.db2.gz GAKAOASPPGBFQQ-UHFFFAOYSA-N 0 0 319.409 0.883 10 0 DCAERN COCCN1CC[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333094762 415555731 /nfs/dbraw/zinc/55/57/31/415555731.db2.gz BOVNCDPMHMLYFA-RQJABVFESA-N 0 0 302.440 0.815 10 0 DCAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@]1(O)CCSC1 ZINC000333094483 415556612 /nfs/dbraw/zinc/55/66/12/415556612.db2.gz UBYUVTPMJFRKTF-TYNCELHUSA-N 0 0 312.435 0.762 10 0 DCAERN CS(=O)(=O)CC1(CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333110095 415560835 /nfs/dbraw/zinc/56/08/35/415560835.db2.gz DVYJRUZUVNYMNA-WOPDTQHZSA-N 0 0 321.464 0.919 10 0 DCAERN CCS(=O)(=O)C1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333141613 415570370 /nfs/dbraw/zinc/57/03/70/415570370.db2.gz JMAKDBMXCYOHPM-SCVCMEIPSA-N 0 0 307.437 0.624 10 0 DCAERN Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)sc2nccn12 ZINC000284942958 415605625 /nfs/dbraw/zinc/60/56/25/415605625.db2.gz CQFIJVXESXAUDO-BDAKNGLRSA-N 0 0 308.363 0.419 10 0 DCAERN COC[C@@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000103432687 415617179 /nfs/dbraw/zinc/61/71/79/415617179.db2.gz KIUQPKLGMUYTAS-CQSZACIVSA-N 0 0 319.405 0.734 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333364845 415625932 /nfs/dbraw/zinc/62/59/32/415625932.db2.gz YFTWALJXCHEJAX-YYWXWVFPSA-N 0 0 306.362 0.815 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC000105569933 415632848 /nfs/dbraw/zinc/63/28/48/415632848.db2.gz LJDQDQQUIXLMCA-GFCCVEGCSA-N 0 0 306.362 0.948 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@H](C3CCCCC3)C2)CC1=O ZINC000333394994 415636512 /nfs/dbraw/zinc/63/65/12/415636512.db2.gz AQTYNUMVDUHHGM-HNNXBMFYSA-N 0 0 323.437 0.568 10 0 DCAERN CNC(=O)NCCC(=O)N(C)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000353725181 415637676 /nfs/dbraw/zinc/63/76/76/415637676.db2.gz WCSCEJMWAWFDFC-OCCSQVGLSA-N 0 0 306.366 0.689 10 0 DCAERN CN1C(=O)CC[C@@H](NC(=O)N[C@H]2CCc3ccccc3C2)C1=O ZINC000333404716 415638958 /nfs/dbraw/zinc/63/89/58/415638958.db2.gz OOFQHLOUPCGAFH-UONOGXRCSA-N 0 0 315.373 0.991 10 0 DCAERN C[NH+](C)CC(=O)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000106382677 415644738 /nfs/dbraw/zinc/64/47/38/415644738.db2.gz AACIJJJBMGLQQU-KRWDZBQOSA-N 0 0 305.422 0.600 10 0 DCAERN CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@H]1CCOC1 ZINC000106839934 415649205 /nfs/dbraw/zinc/64/92/05/415649205.db2.gz DYRSUZYUSVYVNK-ZDUSSCGKSA-N 0 0 324.402 0.870 10 0 DCAERN Cc1cc(-c2nc(CC(=O)N3CCSCC3)no2)nn1C ZINC000333208589 415581434 /nfs/dbraw/zinc/58/14/34/415581434.db2.gz PDOPVZZYZIEGKD-UHFFFAOYSA-N 0 0 307.379 0.896 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CCS(=O)(=O)C1 ZINC000333207593 415583986 /nfs/dbraw/zinc/58/39/86/415583986.db2.gz CBQVHNWECSGNES-RTXFEEFZSA-N 0 0 316.423 0.630 10 0 DCAERN COc1cnc(NC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)nc1 ZINC000333217982 415584877 /nfs/dbraw/zinc/58/48/77/415584877.db2.gz VISCDIDARKMDJQ-VXGBXAGGSA-N 0 0 308.338 0.897 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333216536 415586351 /nfs/dbraw/zinc/58/63/51/415586351.db2.gz VPNNIERCGBYNON-WRWGMCAJSA-N 0 0 322.452 0.258 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000333453170 415652329 /nfs/dbraw/zinc/65/23/29/415652329.db2.gz ZAJDCPOFHIRLKS-NSHDSACASA-N 0 0 304.358 0.741 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)CCO1 ZINC000333462826 415655739 /nfs/dbraw/zinc/65/57/39/415655739.db2.gz LZXNIPKKNWTLME-AGIUHOORSA-N 0 0 314.411 0.812 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC000333469393 415658546 /nfs/dbraw/zinc/65/85/46/415658546.db2.gz NISUTZDJSTVKCC-VHSXEESVSA-N 0 0 309.395 0.432 10 0 DCAERN O=C(CN1CCN(C(=O)C2CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000333564766 415685372 /nfs/dbraw/zinc/68/53/72/415685372.db2.gz RBTNKUSXYIWSHD-CABCVRRESA-N 0 0 321.421 0.668 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](OC)C[C@H]2COC)nc1 ZINC000343715204 415695866 /nfs/dbraw/zinc/69/58/66/415695866.db2.gz QEEJBOOSQKTKOU-WDEREUQCSA-N 0 0 315.395 0.230 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)N2CCNC(=O)CC2)cc1 ZINC000111871290 415702515 /nfs/dbraw/zinc/70/25/15/415702515.db2.gz LHLGRHXNBMYSSP-UHFFFAOYSA-N 0 0 318.377 0.256 10 0 DCAERN COCCOCCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112062196 415702649 /nfs/dbraw/zinc/70/26/49/415702649.db2.gz TWNQNDIBQRRELE-CQSZACIVSA-N 0 0 311.382 0.472 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000119036719 415735001 /nfs/dbraw/zinc/73/50/01/415735001.db2.gz YCHYTGXVHVVKFO-CQSZACIVSA-N 0 0 313.442 0.814 10 0 DCAERN O=C(NC[C@H](O)c1ccsc1)N[C@@H]1CCc2ncnn2C1 ZINC000120666692 415777937 /nfs/dbraw/zinc/77/79/37/415777937.db2.gz UVJQZLVIYNLBCP-MNOVXSKESA-N 0 0 307.379 0.687 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120506761 415768903 /nfs/dbraw/zinc/76/89/03/415768903.db2.gz ZIYGTCUMKPIRHW-CYBMUJFWSA-N 0 0 303.362 0.925 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc12 ZINC000120548361 415774256 /nfs/dbraw/zinc/77/42/56/415774256.db2.gz ZKJFQARUIVNWRK-BDAKNGLRSA-N 0 0 312.395 0.572 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1snnc1C(C)(C)C)[C@H](C)O ZINC000334079866 415799655 /nfs/dbraw/zinc/79/96/55/415799655.db2.gz OSHRRMPRMXYMCV-BQBZGAKWSA-N 0 0 301.368 0.488 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1CCN1C(=O)CCC1=O ZINC000121505966 415809210 /nfs/dbraw/zinc/80/92/10/415809210.db2.gz QYKQDIGAUFKMFS-JTQLQIEISA-N 0 0 322.390 0.695 10 0 DCAERN O=C(NC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1)c1ccccc1 ZINC000121589078 415814719 /nfs/dbraw/zinc/81/47/19/415814719.db2.gz HGSQCJWMLQIGFZ-ZDUSSCGKSA-N 0 0 315.373 0.544 10 0 DCAERN COCCOCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122072677 415821200 /nfs/dbraw/zinc/82/12/00/415821200.db2.gz NBCMZVFLKMZGPW-CYBMUJFWSA-N 0 0 308.382 0.567 10 0 DCAERN CN1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1=O ZINC000122057393 415822627 /nfs/dbraw/zinc/82/26/27/415822627.db2.gz FOEBSJVTCJQKFR-UHFFFAOYSA-N 0 0 319.336 0.867 10 0 DCAERN NC(=O)NCC(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000122126343 415825534 /nfs/dbraw/zinc/82/55/34/415825534.db2.gz VUYTWBCTADOSJZ-UHFFFAOYSA-N 0 0 314.748 0.796 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000125884967 415869769 /nfs/dbraw/zinc/86/97/69/415869769.db2.gz RAROCGPYIUQILB-SECBINFHSA-N 0 0 303.322 0.893 10 0 DCAERN CCc1cc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)o1 ZINC000126395323 415872907 /nfs/dbraw/zinc/87/29/07/415872907.db2.gz CWOQIALLMLISMM-JTQLQIEISA-N 0 0 300.380 0.914 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000128956048 415904492 /nfs/dbraw/zinc/90/44/92/415904492.db2.gz UUGLWKILRGFFBG-UHFFFAOYSA-N 0 0 324.381 0.275 10 0 DCAERN Cc1c(C(=O)N2C[C@H](C)OC[C@@H]2C)cccc1S(N)(=O)=O ZINC000129447646 415906527 /nfs/dbraw/zinc/90/65/27/415906527.db2.gz MFWRNKDZLJULJG-UWVGGRQHSA-N 0 0 312.391 0.892 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NCCCn1ccnn1 ZINC000130788748 415924541 /nfs/dbraw/zinc/92/45/41/415924541.db2.gz SGWPPCIYSZXGMH-UHFFFAOYSA-N 0 0 323.303 0.493 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000131200663 415925453 /nfs/dbraw/zinc/92/54/53/415925453.db2.gz KOAMYOYQNRCFGE-GFCCVEGCSA-N 0 0 312.414 0.459 10 0 DCAERN CCNC(=O)CN(CC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000133111737 415941892 /nfs/dbraw/zinc/94/18/92/415941892.db2.gz MROUNQIDKOQAHL-LLVKDONJSA-N 0 0 322.413 0.843 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)Nc2nn[nH]n2)[C@H]1c1ccc(F)cc1 ZINC000135109587 415958470 /nfs/dbraw/zinc/95/84/70/415958470.db2.gz NIRXJZQBTBJEEE-MWLCHTKSSA-N 0 0 304.285 0.497 10 0 DCAERN COc1ccnc(N2CCC(C(=O)Nc3ncnn3C)CC2)n1 ZINC000150904068 415963023 /nfs/dbraw/zinc/96/30/23/415963023.db2.gz SZCXRBHRFPGCCP-UHFFFAOYSA-N 0 0 317.353 0.469 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151114522 415963993 /nfs/dbraw/zinc/96/39/93/415963993.db2.gz DZIUIRMOJZTJCF-YIYPIFLZSA-N 0 0 322.405 0.829 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CCNS(=O)(=O)c2ccccc2)C1 ZINC000344674068 415968548 /nfs/dbraw/zinc/96/85/48/415968548.db2.gz IVGXWWXKSWLFFL-STQMWFEESA-N 0 0 314.407 0.047 10 0 DCAERN Cn1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cn1 ZINC000158704739 416001538 /nfs/dbraw/zinc/00/15/38/416001538.db2.gz NVECJMXLGGRBFD-LBPRGKRZSA-N 0 0 306.347 0.025 10 0 DCAERN COc1cccc(OCCN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000153870191 415987221 /nfs/dbraw/zinc/98/72/21/415987221.db2.gz FOYGAPODUUSSIM-LBPRGKRZSA-N 0 0 314.407 0.698 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[C@@H]2C)CC1 ZINC000344787002 415989252 /nfs/dbraw/zinc/98/92/52/415989252.db2.gz HQDNPXCDKJTCDD-AAEUAGOBSA-N 0 0 310.398 0.165 10 0 DCAERN CN(C)[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000132950214 415937361 /nfs/dbraw/zinc/93/73/61/415937361.db2.gz QDQNPMPUMZOPRH-CVEARBPZSA-N 0 0 321.421 0.099 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)CCS1(=O)=O ZINC000172375185 416046044 /nfs/dbraw/zinc/04/60/44/416046044.db2.gz RTFJXIBIVRNRNP-OCCSQVGLSA-N 0 0 310.419 0.935 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000172612796 416046726 /nfs/dbraw/zinc/04/67/26/416046726.db2.gz NEWHYNMQNZUQOR-RYUDHWBXSA-N 0 0 303.428 0.741 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCn1cccn1 ZINC000173014694 416050895 /nfs/dbraw/zinc/05/08/95/416050895.db2.gz OAYGIQAHDCOVLJ-NEPJUHHUSA-N 0 0 302.400 0.217 10 0 DCAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000173661095 416062468 /nfs/dbraw/zinc/06/24/68/416062468.db2.gz XXPLRYYOOXQQIW-ZFWWWQNUSA-N 0 0 318.377 0.926 10 0 DCAERN CCc1nc(CNC(=O)C(C)(C)NS(C)(=O)=O)cs1 ZINC000173609209 416062872 /nfs/dbraw/zinc/06/28/72/416062872.db2.gz IXNXVUUGTDGRQG-UHFFFAOYSA-N 0 0 305.425 0.650 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173735634 416063462 /nfs/dbraw/zinc/06/34/62/416063462.db2.gz QGLQFAQZMSJGEZ-JTQLQIEISA-N 0 0 303.388 0.073 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C ZINC000173787446 416066359 /nfs/dbraw/zinc/06/63/59/416066359.db2.gz IKPOCFSIJHIQCA-TZMCWYRMSA-N 0 0 321.425 0.906 10 0 DCAERN CCC[C@H](CCO)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000173826733 416066542 /nfs/dbraw/zinc/06/65/42/416066542.db2.gz UQZOKMOSCABFIZ-ZIAGYGMSSA-N 0 0 301.431 0.805 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCCn3ccnc3)C2)cn1 ZINC000173915329 416066667 /nfs/dbraw/zinc/06/66/67/416066667.db2.gz NMWPSQDRFMZTOD-ZDUSSCGKSA-N 0 0 317.397 0.585 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCCn3ccnc3)C2)cn1 ZINC000173915346 416067856 /nfs/dbraw/zinc/06/78/56/416067856.db2.gz NMWPSQDRFMZTOD-CYBMUJFWSA-N 0 0 317.397 0.585 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173853399 416068596 /nfs/dbraw/zinc/06/85/96/416068596.db2.gz XPDFWDSEFBOKBB-UHFFFAOYSA-N 0 0 314.411 0.444 10 0 DCAERN CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173941123 416069359 /nfs/dbraw/zinc/06/93/59/416069359.db2.gz FGQIOXYKCOKXGI-GJZGRUSLSA-N 0 0 313.442 0.324 10 0 DCAERN CCNC(=O)CCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173968991 416070801 /nfs/dbraw/zinc/07/08/01/416070801.db2.gz XDWDVZCJSIRYGU-UONOGXRCSA-N 0 0 311.426 0.472 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000174370718 416077947 /nfs/dbraw/zinc/07/79/47/416077947.db2.gz UOPYHCUJSVZMSI-RKDXNWHRSA-N 0 0 318.370 0.949 10 0 DCAERN COc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1OC ZINC000158857481 416003350 /nfs/dbraw/zinc/00/33/50/416003350.db2.gz JMQIMUNANOLBJP-LLVKDONJSA-N 0 0 303.380 0.999 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000158988393 416004781 /nfs/dbraw/zinc/00/47/81/416004781.db2.gz YXEUDJLAPBUZQJ-GDBMZVCRSA-N 0 0 320.414 0.858 10 0 DCAERN COC(=O)c1cccc(C(=O)NC[C@H](C)N2CCCCC2=O)n1 ZINC000356986628 416016545 /nfs/dbraw/zinc/01/65/45/416016545.db2.gz PQBHUDZLBFJISN-NSHDSACASA-N 0 0 319.361 0.999 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000298810964 416030781 /nfs/dbraw/zinc/03/07/81/416030781.db2.gz SEIRJPWMXKHFGJ-CYBMUJFWSA-N 0 0 301.306 0.579 10 0 DCAERN Cn1cc(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)ccc1=O ZINC000170703337 416030936 /nfs/dbraw/zinc/03/09/36/416030936.db2.gz BJOYWKMJKFTXGY-ZDUSSCGKSA-N 0 0 317.345 0.816 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cnn3ccc(C)nc13)CC2 ZINC000170811722 416034022 /nfs/dbraw/zinc/03/40/22/416034022.db2.gz BEUXZPAEPZLPKJ-NSHDSACASA-N 0 0 311.349 0.682 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171619531 416040122 /nfs/dbraw/zinc/04/01/22/416040122.db2.gz ILLJCBUTRCHUKN-CQSZACIVSA-N 0 0 317.397 0.307 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000174575243 416081753 /nfs/dbraw/zinc/08/17/53/416081753.db2.gz YZPMRAYEZWPPNM-DGCLKSJQSA-N 0 0 308.403 0.875 10 0 DCAERN CNC(=O)c1ccc(N2CCc3ncnc(OC)c3C2)nn1 ZINC000301449904 416084114 /nfs/dbraw/zinc/08/41/14/416084114.db2.gz SQEGPSINMKHUAW-UHFFFAOYSA-N 0 0 300.322 0.198 10 0 DCAERN NC(=O)c1cncc(N2CCN(CC(F)(F)C(F)F)CC2)n1 ZINC000301534155 416085224 /nfs/dbraw/zinc/08/52/24/416085224.db2.gz SVBSACFZCQASMC-UHFFFAOYSA-N 0 0 321.278 0.598 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)N[C@@H]3CCCOC3)CC2)no1 ZINC000174774977 416085261 /nfs/dbraw/zinc/08/52/61/416085261.db2.gz QDEQMVIOWVWYOC-CYBMUJFWSA-N 0 0 323.397 0.774 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc[nH]n2)ncn1 ZINC000174742823 416085316 /nfs/dbraw/zinc/08/53/16/416085316.db2.gz KWAFUOCOVIQYAF-LBPRGKRZSA-N 0 0 315.381 0.569 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000301494384 416085351 /nfs/dbraw/zinc/08/53/51/416085351.db2.gz ATFCKCIFKKLEQZ-GFCCVEGCSA-N 0 0 305.382 0.124 10 0 DCAERN CCC(CC)(CCO)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000174748789 416086406 /nfs/dbraw/zinc/08/64/06/416086406.db2.gz MDAIRBSVOYBNIK-CYBMUJFWSA-N 0 0 301.431 0.805 10 0 DCAERN COC(=O)C[C@H]1CN(c2cc(=O)n3ccccc3n2)CCO1 ZINC000174928732 416089358 /nfs/dbraw/zinc/08/93/58/416089358.db2.gz JKAMVYWYNVDRQQ-NSHDSACASA-N 0 0 303.318 0.463 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)c1cccc(-n2cncn2)c1 ZINC000174934906 416091261 /nfs/dbraw/zinc/09/12/61/416091261.db2.gz JQNBXINGLYUOLZ-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN C[C@@H](c1noc(CNS(=O)(=O)c2cnn(C)c2)n1)C1CC1 ZINC000357522554 416092221 /nfs/dbraw/zinc/09/22/21/416092221.db2.gz ALEYQORGXSADNN-MRVPVSSYSA-N 0 0 311.367 0.795 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)COCC3CC3)C2=O)n(C)n1 ZINC000175009705 416093774 /nfs/dbraw/zinc/09/37/74/416093774.db2.gz GCBRMPDIMLUJMQ-CYBMUJFWSA-N 0 0 320.393 0.767 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000174999467 416094242 /nfs/dbraw/zinc/09/42/42/416094242.db2.gz UBZPBGHLCDAAAE-MFKMUULPSA-N 0 0 304.346 0.393 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)N[C@@H](C)C(N)=O)CC2 ZINC000357545489 416096395 /nfs/dbraw/zinc/09/63/95/416096395.db2.gz OZMTZIPJILLRLS-JTQLQIEISA-N 0 0 321.377 0.052 10 0 DCAERN COCCN1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119334 416098026 /nfs/dbraw/zinc/09/80/26/416098026.db2.gz ROYQPQIZNULYQC-ZDUSSCGKSA-N 0 0 308.444 0.394 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)C1CCCCC1 ZINC000175260199 416100861 /nfs/dbraw/zinc/10/08/61/416100861.db2.gz BSXOCMSUUQSEOR-GFCCVEGCSA-N 0 0 306.428 0.325 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000357608114 416105404 /nfs/dbraw/zinc/10/54/04/416105404.db2.gz PSNWFBGDPUJDTO-VHDGCEQUSA-N 0 0 318.373 0.998 10 0 DCAERN O=S(=O)(CCCF)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000175529018 416108358 /nfs/dbraw/zinc/10/83/58/416108358.db2.gz UZJLWZQZFWNQEK-LLVKDONJSA-N 0 0 302.375 0.724 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c1F ZINC000313654859 416109201 /nfs/dbraw/zinc/10/92/01/416109201.db2.gz JAKTUWJJCBESRP-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN C[C@H]1CN(C(=O)NCC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175735080 416111987 /nfs/dbraw/zinc/11/19/87/416111987.db2.gz CDYOMAVYYWZIQN-DZGCQCFKSA-N 0 0 311.426 0.775 10 0 DCAERN Cc1cnn(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175793051 416114422 /nfs/dbraw/zinc/11/44/22/416114422.db2.gz XJHDSDRCNBDFBR-LSDHHAIUSA-N 0 0 321.425 0.554 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2C(C)C)C1 ZINC000175891470 416116758 /nfs/dbraw/zinc/11/67/58/416116758.db2.gz DZOFTFZYDKQTPN-GFCCVEGCSA-N 0 0 321.381 0.530 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000357695283 416117049 /nfs/dbraw/zinc/11/70/49/416117049.db2.gz YXJKAYWBWBGQBX-ZIAGYGMSSA-N 0 0 322.361 0.541 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)n(C)c1 ZINC000176220121 416122029 /nfs/dbraw/zinc/12/20/29/416122029.db2.gz ZORQLDVBXIZOPH-INIZCTEOSA-N 0 0 323.393 0.041 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c(C)n1 ZINC000328608743 416123698 /nfs/dbraw/zinc/12/36/98/416123698.db2.gz BDMKSZNCUXIZEZ-SECBINFHSA-N 0 0 310.383 0.685 10 0 DCAERN c1cc(N[C@H]2CCCOC2)nc(NCc2nnc3n2CCC3)n1 ZINC000328632604 416124705 /nfs/dbraw/zinc/12/47/05/416124705.db2.gz LLHILCBKVTWXRZ-NSHDSACASA-N 0 0 315.381 1.217 10 0 DCAERN Cn1cc(N2CCN(C(=O)NCc3cscn3)CC2=O)cn1 ZINC000176466282 416125541 /nfs/dbraw/zinc/12/55/41/416125541.db2.gz ZZUCUKVXKMFKOT-UHFFFAOYSA-N 0 0 320.378 0.435 10 0 DCAERN COC(=O)CSCCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357756894 416127683 /nfs/dbraw/zinc/12/76/83/416127683.db2.gz WWVDFQSVBUMSJZ-JTQLQIEISA-N 0 0 317.411 0.155 10 0 DCAERN O=C(CCNC(=O)c1cccc2ncnn21)NCc1ccccn1 ZINC000357756885 416128311 /nfs/dbraw/zinc/12/83/11/416128311.db2.gz WVUQHKJZNWPUGL-UHFFFAOYSA-N 0 0 324.344 0.561 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000176608446 416129625 /nfs/dbraw/zinc/12/96/25/416129625.db2.gz VQNZHRAXVAQJEA-QGZVFWFLSA-N 0 0 322.405 0.937 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000176618650 416130293 /nfs/dbraw/zinc/13/02/93/416130293.db2.gz GXTFZZVPKBMHBX-VIFPVBQESA-N 0 0 315.395 0.765 10 0 DCAERN CC[NH+](CC)CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176670628 416131918 /nfs/dbraw/zinc/13/19/18/416131918.db2.gz XLZDFECAHGJNMB-INIZCTEOSA-N 0 0 310.486 0.957 10 0 DCAERN COc1cc2nc(NC[C@@H](CO)C3CC3)nc(N)c2cc1OC ZINC000357786345 416132673 /nfs/dbraw/zinc/13/26/73/416132673.db2.gz UHNXYTRENCJWBJ-JTQLQIEISA-N 0 0 318.377 1.082 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000177037987 416139949 /nfs/dbraw/zinc/13/99/49/416139949.db2.gz SOCAEKVBZSXKCI-INIZCTEOSA-N 0 0 303.362 0.836 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[C@H](C)C1 ZINC000357845825 416141819 /nfs/dbraw/zinc/14/18/19/416141819.db2.gz HDXVNPMOFUSVHE-DGCLKSJQSA-N 0 0 310.398 0.258 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000177429548 416145802 /nfs/dbraw/zinc/14/58/02/416145802.db2.gz GEFQYWBLQGDRIY-UHFFFAOYSA-N 0 0 307.398 0.374 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCCn2ncnc21 ZINC000177554228 416147826 /nfs/dbraw/zinc/14/78/26/416147826.db2.gz WMFMLTMYJHEVJQ-NSHDSACASA-N 0 0 314.411 0.690 10 0 DCAERN COC(=O)[C@@H](Nc1cnn(CCN2CCOCC2)c1)C1CC1 ZINC000357896530 416148902 /nfs/dbraw/zinc/14/89/02/416148902.db2.gz SIQOYXHNKXTWDZ-AWEZNQCLSA-N 0 0 308.382 0.579 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177628101 416149138 /nfs/dbraw/zinc/14/91/38/416149138.db2.gz RKMMJHDPDGWNGX-SNVBAGLBSA-N 0 0 317.324 0.795 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000177649797 416149731 /nfs/dbraw/zinc/14/97/31/416149731.db2.gz ZXCBZLDREDDCIX-ZDUSSCGKSA-N 0 0 323.441 0.670 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000177797294 416152568 /nfs/dbraw/zinc/15/25/68/416152568.db2.gz NTIUMKWJGRWTQZ-VHSXEESVSA-N 0 0 302.334 0.701 10 0 DCAERN COC(=O)CCCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000177935433 416154503 /nfs/dbraw/zinc/15/45/03/416154503.db2.gz STQHAZWEGZOKOS-JTQLQIEISA-N 0 0 309.370 0.928 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000357440016 416081281 /nfs/dbraw/zinc/08/12/81/416081281.db2.gz KYJDJQFBUIUOSY-GFCCVEGCSA-N 0 0 312.391 0.462 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178541876 416166191 /nfs/dbraw/zinc/16/61/91/416166191.db2.gz KAEKSMSHWPGYKW-MJBXVCDLSA-N 0 0 305.378 0.988 10 0 DCAERN COc1cccc([C@@H]2CN(C(=O)C(=O)NC3CC3)CCO2)c1 ZINC000178601980 416166609 /nfs/dbraw/zinc/16/66/09/416166609.db2.gz BKMVDROODKZXOC-AWEZNQCLSA-N 0 0 304.346 0.874 10 0 DCAERN O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H]1CN2CCN1CC2 ZINC000178628052 416168440 /nfs/dbraw/zinc/16/84/40/416168440.db2.gz BZGHSQTXRWYQPE-AWEZNQCLSA-N 0 0 316.380 0.966 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000178912579 416176300 /nfs/dbraw/zinc/17/63/00/416176300.db2.gz IRNUDMIGFBBBBU-CQSZACIVSA-N 0 0 308.378 0.835 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178907307 416176387 /nfs/dbraw/zinc/17/63/87/416176387.db2.gz UANAIAUVHPUCER-GFCCVEGCSA-N 0 0 306.366 0.938 10 0 DCAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179500422 416189703 /nfs/dbraw/zinc/18/97/03/416189703.db2.gz TXBGRPMUASPTFF-HNNXBMFYSA-N 0 0 315.373 0.962 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCC(=O)c3cccn32)CCS1(=O)=O ZINC000329845980 416191776 /nfs/dbraw/zinc/19/17/76/416191776.db2.gz MAJZKORHZAUJHM-CMPLNLGQSA-N 0 0 310.375 0.651 10 0 DCAERN CN(C)c1nc(C[S@@](=O)CC(=O)NCC2CCC2)ns1 ZINC000180270702 416195146 /nfs/dbraw/zinc/19/51/46/416195146.db2.gz KVJVFIYLPNMZMC-HXUWFJFHSA-N 0 0 316.452 0.769 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000180260706 416195301 /nfs/dbraw/zinc/19/53/01/416195301.db2.gz AQZUMKAKXNYQTO-NWDGAFQWSA-N 0 0 314.288 0.512 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCC(=O)NCC1CC1 ZINC000180502177 416198161 /nfs/dbraw/zinc/19/81/61/416198161.db2.gz BZLSWMCWBMDYKK-UHFFFAOYSA-N 0 0 307.398 0.405 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cnn3c2CCCC3)O1 ZINC000180662981 416199760 /nfs/dbraw/zinc/19/97/60/416199760.db2.gz PFVRJLLHGBYQEC-BXUZGUMPSA-N 0 0 320.393 0.585 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000181140300 416204014 /nfs/dbraw/zinc/20/40/14/416204014.db2.gz DLVSVANMNHHBOJ-CYBMUJFWSA-N 0 0 315.377 0.983 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc[nH]n2)C1 ZINC000181387401 416206113 /nfs/dbraw/zinc/20/61/13/416206113.db2.gz AOFUFOWURWUMOO-GHMZBOCLSA-N 0 0 306.370 0.649 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181405104 416206311 /nfs/dbraw/zinc/20/63/11/416206311.db2.gz AZOIROQIQSWCIX-JTQLQIEISA-N 0 0 308.386 0.152 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181688439 416209353 /nfs/dbraw/zinc/20/93/53/416209353.db2.gz QVCJGSIEJQRNEB-CYBMUJFWSA-N 0 0 316.427 0.121 10 0 DCAERN COC[C@H](NC(=O)C(=O)NCc1cccnn1)c1ccccc1 ZINC000357958777 416159739 /nfs/dbraw/zinc/15/97/39/416159739.db2.gz MCOLVSNRTNZZKD-AWEZNQCLSA-N 0 0 314.345 0.597 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178291041 416160363 /nfs/dbraw/zinc/16/03/63/416160363.db2.gz XVCQUBDKIBPTEZ-HWYHXSKPSA-N 0 0 307.325 0.779 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000178477022 416163924 /nfs/dbraw/zinc/16/39/24/416163924.db2.gz XBWLSEJPHKJXBE-WDEREUQCSA-N 0 0 319.390 0.400 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCc2noc(C)n2)c1 ZINC000183615932 416246419 /nfs/dbraw/zinc/24/64/19/416246419.db2.gz RFUPNJVEWYPOMN-UHFFFAOYSA-N 0 0 304.306 0.433 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(O)c2)CC1 ZINC000184924820 416252810 /nfs/dbraw/zinc/25/28/10/416252810.db2.gz IPIZYLYAZRSCSE-CQSZACIVSA-N 0 0 307.394 0.990 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)c2nccs2)C1 ZINC000185804054 416253816 /nfs/dbraw/zinc/25/38/16/416253816.db2.gz BQILKFYXEUQXEY-SECBINFHSA-N 0 0 312.395 0.403 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187169338 416260257 /nfs/dbraw/zinc/26/02/57/416260257.db2.gz NNJRKBLAQRCVCQ-ZDUSSCGKSA-N 0 0 309.414 0.381 10 0 DCAERN C[C@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCN1CCO ZINC000187728049 416261881 /nfs/dbraw/zinc/26/18/81/416261881.db2.gz WZBKISOIJXCZFM-GOEBONIOSA-N 0 0 303.406 0.790 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@]1(O)CCSC1 ZINC000331098360 416264493 /nfs/dbraw/zinc/26/44/93/416264493.db2.gz NGPGQCKAKPZXLH-CKYFFXLPSA-N 0 0 323.436 0.116 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000358694405 416269859 /nfs/dbraw/zinc/26/98/59/416269859.db2.gz RSPRVQUALIMHMN-GXTWGEPZSA-N 0 0 309.410 0.857 10 0 DCAERN CCCNC(=O)CN1CCC(N[C@H](C(=O)OC)C2CC2)CC1 ZINC000358812854 416278510 /nfs/dbraw/zinc/27/85/10/416278510.db2.gz LMETVSMURYNPRT-HNNXBMFYSA-N 0 0 311.426 0.518 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(CC(=O)OC)c2)C1 ZINC000190099599 416275681 /nfs/dbraw/zinc/27/56/81/416275681.db2.gz YAUQCDDTGZCCHQ-UHFFFAOYSA-N 0 0 304.346 0.610 10 0 DCAERN O=C(Nc1nnc(C(F)F)s1)N1CC(n2ccnn2)C1 ZINC000358458278 416239734 /nfs/dbraw/zinc/23/97/34/416239734.db2.gz NIUCTNCFXOZUMJ-UHFFFAOYSA-N 0 0 301.282 1.156 10 0 DCAERN C[C@@H](O)CNC(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000192551772 416308442 /nfs/dbraw/zinc/30/84/42/416308442.db2.gz IHNIQVINSWBJSW-SNVBAGLBSA-N 0 0 312.345 0.237 10 0 DCAERN Cc1ccc(Cc2nnn(C[C@@H](O)CN3CCOCC3)n2)cc1 ZINC000193426565 416316967 /nfs/dbraw/zinc/31/69/67/416316967.db2.gz WHODUENOWBKGAH-HNNXBMFYSA-N 0 0 317.393 0.265 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)CC1=O ZINC000193525458 416317105 /nfs/dbraw/zinc/31/71/05/416317105.db2.gz RZVREIABPZXDJR-UHFFFAOYSA-N 0 0 322.390 0.609 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CC(NC(C)=O)C2)sc1C ZINC000193506801 416317975 /nfs/dbraw/zinc/31/79/75/416317975.db2.gz KYDYMWCUJGVWAC-UHFFFAOYSA-N 0 0 310.379 0.299 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193925119 416320783 /nfs/dbraw/zinc/32/07/83/416320783.db2.gz YMABSJRULJEKIN-DTWKUNHWSA-N 0 0 324.768 0.786 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCC(F)(F)C(F)F)c1 ZINC000192132081 416299523 /nfs/dbraw/zinc/29/95/23/416299523.db2.gz CIGAVJXBJUQPPU-UHFFFAOYSA-N 0 0 314.260 0.964 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)NC[C@H](CO)C2CC2)c(=O)c1 ZINC000359779787 416358230 /nfs/dbraw/zinc/35/82/30/416358230.db2.gz ZBSJMWHEVKUMEN-CJNGLKHVSA-N 0 0 308.378 0.042 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccnn1C)CC2 ZINC000265127547 416339982 /nfs/dbraw/zinc/33/99/82/416339982.db2.gz XOLFRZCZDBXYGZ-GFCCVEGCSA-N 0 0 306.366 0.905 10 0 DCAERN COc1cc(C)ccc1CNC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000359679737 416353138 /nfs/dbraw/zinc/35/31/38/416353138.db2.gz HMETUDMCKRIYPS-JSGCOSHPSA-N 0 0 320.389 0.849 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)C1CCN(c2cnccn2)CC1 ZINC000359777454 416357604 /nfs/dbraw/zinc/35/76/04/416357604.db2.gz HZCOKWYLQSKENE-CQSZACIVSA-N 0 0 304.394 0.828 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1[nH]nnc1-c1ccccc1)C(C)C ZINC000194214969 416322852 /nfs/dbraw/zinc/32/28/52/416322852.db2.gz HKNQMXJSMQOIFW-LLVKDONJSA-N 0 0 301.350 0.972 10 0 DCAERN C[C@@H]1CN(c2ccnc(C(=O)NC(C)(C)C(N)=O)c2)C[C@@H](C)O1 ZINC000194477739 416323520 /nfs/dbraw/zinc/32/35/20/416323520.db2.gz WNMDNODMIDLMKW-GHMZBOCLSA-N 0 0 320.393 0.689 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)NCCCCO ZINC000194995118 416325168 /nfs/dbraw/zinc/32/51/68/416325168.db2.gz XGBFQNKEZVWAQR-UHFFFAOYSA-N 0 0 305.422 0.693 10 0 DCAERN CC(C)n1nnnc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000195046858 416325249 /nfs/dbraw/zinc/32/52/49/416325249.db2.gz VWZAXOANSKENKW-LBPRGKRZSA-N 0 0 321.429 0.039 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@H]1COCCN1 ZINC000237901961 416329152 /nfs/dbraw/zinc/32/91/52/416329152.db2.gz OAXKOYKFLTZWBU-GFCCVEGCSA-N 0 0 310.423 0.390 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)Cn2ncc3ccccc32)C1=O ZINC000360089399 416369957 /nfs/dbraw/zinc/36/99/57/416369957.db2.gz SYQHQOFMRQJHRH-GFCCVEGCSA-N 0 0 314.345 0.688 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000360866661 416414357 /nfs/dbraw/zinc/41/43/57/416414357.db2.gz DNMXGYRBLIEHOB-NEPJUHHUSA-N 0 0 300.399 0.395 10 0 DCAERN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC(=O)N(C)C1 ZINC000360471238 416391685 /nfs/dbraw/zinc/39/16/85/416391685.db2.gz ZCMOTIRWHWJWLR-CQSZACIVSA-N 0 0 316.405 0.455 10 0 DCAERN C=Cc1ccc(CCNC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000361631230 416466003 /nfs/dbraw/zinc/46/60/03/416466003.db2.gz JKXMOKNYNSGAAA-LLVKDONJSA-N 0 0 311.407 0.848 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583618850 416477835 /nfs/dbraw/zinc/47/78/35/416477835.db2.gz SJANNMCSLDKBET-CYBMUJFWSA-N 0 0 324.772 0.488 10 0 DCAERN Cc1c(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cnn1C(C)(C)C ZINC000583618824 416478765 /nfs/dbraw/zinc/47/87/65/416478765.db2.gz PPABYGCVDYLLOX-OAHLLOKOSA-N 0 0 318.381 0.798 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCOC[C@H]1CCCO1 ZINC000533152358 416480193 /nfs/dbraw/zinc/48/01/93/416480193.db2.gz DOCIVSJGCCZVSH-GFCCVEGCSA-N 0 0 324.381 0.287 10 0 DCAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@H]1CCOC1 ZINC000583622034 416480304 /nfs/dbraw/zinc/48/03/04/416480304.db2.gz DJRUTSYJICPLMU-IHRRRGAJSA-N 0 0 308.357 0.542 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC(F)F ZINC000361386045 416433839 /nfs/dbraw/zinc/43/38/39/416433839.db2.gz VVXWZAQCZZEENO-VIFPVBQESA-N 0 0 313.304 0.302 10 0 DCAERN C/C=C/C[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OCC ZINC000361533781 416444947 /nfs/dbraw/zinc/44/49/47/416444947.db2.gz RDALBXXDNZGNAR-BPJJOFIESA-N 0 0 322.361 0.876 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000361546154 416446787 /nfs/dbraw/zinc/44/67/87/416446787.db2.gz RHMHRPBSPHJOEL-GXSJLCMTSA-N 0 0 310.375 0.331 10 0 DCAERN CC(=O)CCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000582183076 416448475 /nfs/dbraw/zinc/44/84/75/416448475.db2.gz ZPJQCRUHPPVJIQ-AWEZNQCLSA-N 0 0 310.394 0.986 10 0 DCAERN COC(=O)c1nc(N2CCC(S(N)(=O)=O)CC2)sc1C ZINC000434082563 416458077 /nfs/dbraw/zinc/45/80/77/416458077.db2.gz KYPHHDLQCLEPMD-UHFFFAOYSA-N 0 0 319.408 0.495 10 0 DCAERN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)NC ZINC000458379354 416459189 /nfs/dbraw/zinc/45/91/89/416459189.db2.gz YEOWAOHAXSZZTE-QWHCGFSZSA-N 0 0 318.377 0.616 10 0 DCAERN CN(C(=O)Nc1cccc(N2CCOCC2)c1)[C@@H]1CCNC1=O ZINC000535485699 416521128 /nfs/dbraw/zinc/52/11/28/416521128.db2.gz CMJGHVKAYZHTMX-CQSZACIVSA-N 0 0 318.377 0.875 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)C(C)C ZINC000590312847 416525911 /nfs/dbraw/zinc/52/59/11/416525911.db2.gz HFIMBKHNEYVZGR-AWEZNQCLSA-N 0 0 301.350 1.571 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](O)C1 ZINC000361947890 416531496 /nfs/dbraw/zinc/53/14/96/416531496.db2.gz VRKFTWDAMHMULC-QWRGUYRKSA-N 0 0 308.382 0.759 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957499 416533529 /nfs/dbraw/zinc/53/35/29/416533529.db2.gz KXOBPBBGTKAUMW-XOIDGJRKSA-N 0 0 308.400 0.297 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCCC[C@@H]2[C@H](O)C(F)(F)F)C1=O ZINC000459371837 416537232 /nfs/dbraw/zinc/53/72/32/416537232.db2.gz ITEDHEJRKLAQAG-AEJSXWLSSA-N 0 0 323.315 0.704 10 0 DCAERN COC(=O)c1ccc(C)c(NC(=O)CN2CCOCC2=O)c1O ZINC000436516949 416562295 /nfs/dbraw/zinc/56/22/95/416562295.db2.gz VWQWOWZUUTVYJN-UHFFFAOYSA-N 0 0 322.317 0.285 10 0 DCAERN C[S@](=O)c1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000436054825 416545839 /nfs/dbraw/zinc/54/58/39/416545839.db2.gz AGCKWZUQSHKSPE-NRFANRHFSA-N 0 0 304.375 0.642 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506309 416547874 /nfs/dbraw/zinc/54/78/74/416547874.db2.gz PNCTUOLILDRMFA-HZMBPMFUSA-N 0 0 311.407 0.629 10 0 DCAERN COc1ccccc1S(=O)(=O)CCCN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000361760544 416492323 /nfs/dbraw/zinc/49/23/23/416492323.db2.gz RCUMGBLVRXTIJB-PHIMTYICSA-N 0 0 323.370 0.864 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)COC)c1 ZINC000534247789 416496242 /nfs/dbraw/zinc/49/62/42/416496242.db2.gz ADURQQGAQGSHDG-CQSZACIVSA-N 0 0 315.391 0.607 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000534702149 416506040 /nfs/dbraw/zinc/50/60/40/416506040.db2.gz RPQPOKPWYAASNM-NSHDSACASA-N 0 0 300.355 0.034 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)sc2C1 ZINC000434992913 416506387 /nfs/dbraw/zinc/50/63/87/416506387.db2.gz WDTKDGKVNJLHLJ-SFYZADRCSA-N 0 0 322.390 0.211 10 0 DCAERN CCOC(=O)COCCNC(=O)N1CCSC[C@H]1CCO ZINC000458960343 416514742 /nfs/dbraw/zinc/51/47/42/416514742.db2.gz GHOKOLPBFMDRCZ-LLVKDONJSA-N 0 0 320.411 0.076 10 0 DCAERN O=C(c1ccccc1N1CCOCC1)N1CC(n2ccnn2)C1 ZINC000361910028 416520499 /nfs/dbraw/zinc/52/04/99/416520499.db2.gz GLAJIRIAXQMHOO-UHFFFAOYSA-N 0 0 313.361 0.812 10 0 DCAERN CCCc1nnc(NC(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000364855896 416594538 /nfs/dbraw/zinc/59/45/38/416594538.db2.gz NPBLWLVVSHVIDC-SNVBAGLBSA-N 0 0 311.411 1.039 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)[nH]1 ZINC000439260024 416609569 /nfs/dbraw/zinc/60/95/69/416609569.db2.gz OIVZKCNJTBGBCI-STQMWFEESA-N 0 0 307.398 0.308 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1nnc(CC)c(CC)n1 ZINC000362669449 416568711 /nfs/dbraw/zinc/56/87/11/416568711.db2.gz UTECNPBXDJXQHM-ZJUUUORDSA-N 0 0 323.397 0.865 10 0 DCAERN CC(=O)CCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000364304665 416585691 /nfs/dbraw/zinc/58/56/91/416585691.db2.gz PLXAFUPCKXUCGZ-UHFFFAOYSA-N 0 0 316.423 0.819 10 0 DCAERN CC(C)CN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1=O ZINC000547668852 416681859 /nfs/dbraw/zinc/68/18/59/416681859.db2.gz FPYXVYSZPXUSHJ-UHFFFAOYSA-N 0 0 322.413 1.365 10 0 DCAERN Cc1csc([C@H](C)NC(=O)NCCN2CCNC(=O)C2)n1 ZINC000541905084 416618636 /nfs/dbraw/zinc/61/86/36/416618636.db2.gz FRLJVZQMORNHGJ-JTQLQIEISA-N 0 0 311.411 0.244 10 0 DCAERN CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)N1CCOCC1 ZINC000439638584 416619296 /nfs/dbraw/zinc/61/92/96/416619296.db2.gz ISVYJEBHOYJRIZ-XQQFMLRXSA-N 0 0 313.398 0.227 10 0 DCAERN CN(Cc1nnnn1C)C(=O)CSc1nnc2ccccn21 ZINC000542963382 416636188 /nfs/dbraw/zinc/63/61/88/416636188.db2.gz YBSFNOYTSSDXHQ-UHFFFAOYSA-N 0 0 318.366 0.004 10 0 DCAERN Cn1ccnc1C[C@@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000608478118 416650147 /nfs/dbraw/zinc/65/01/47/416650147.db2.gz UAIBKGDLOCJJGN-CYBMUJFWSA-N 0 0 315.377 0.879 10 0 DCAERN CC(C)c1cc(N2CCN3CCOC[C@H]3C2)n2ncnc2n1 ZINC000544414418 416655561 /nfs/dbraw/zinc/65/55/61/416655561.db2.gz GCEQBMXKCJJKDY-GFCCVEGCSA-N 0 0 302.382 0.769 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCC2([S@](C)=O)CC2)C1 ZINC000441128990 416662268 /nfs/dbraw/zinc/66/22/68/416662268.db2.gz FPIVTGOWTGGQCZ-UZJPJQLHSA-N 0 0 316.427 0.001 10 0 DCAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc2nccn2c1)C(N)=O ZINC000514774653 416674486 /nfs/dbraw/zinc/67/44/86/416674486.db2.gz AFKMYVNRLMVSJG-LLVKDONJSA-N 0 0 317.349 0.289 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000557610587 416743475 /nfs/dbraw/zinc/74/34/75/416743475.db2.gz RLVNCZRUIPJFEU-QLFBSQMISA-N 0 0 314.426 0.486 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000443329467 416751988 /nfs/dbraw/zinc/75/19/88/416751988.db2.gz BKOZZXTWQSGYOF-UHFFFAOYSA-N 0 0 319.361 0.593 10 0 DCAERN CCn1nccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442047012 416685575 /nfs/dbraw/zinc/68/55/75/416685575.db2.gz HPHQMHPWCOMFEC-SNVBAGLBSA-N 0 0 312.395 0.168 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccnn2C[C@@H]2CCOC2)cn1 ZINC000515044980 416688259 /nfs/dbraw/zinc/68/82/59/416688259.db2.gz KHKJRSSSJDGTMA-NSHDSACASA-N 0 0 305.338 0.671 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000442122402 416688414 /nfs/dbraw/zinc/68/84/14/416688414.db2.gz XCEVPALSXRFCGL-ZYHUDNBSSA-N 0 0 306.366 0.599 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c(C)o1 ZINC000368734798 416688917 /nfs/dbraw/zinc/68/89/17/416688917.db2.gz XYLAZHCLEOHJME-GFCCVEGCSA-N 0 0 300.380 0.602 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2cccc(N3CCC3=O)c2)C1 ZINC000516146108 416715364 /nfs/dbraw/zinc/71/53/64/416715364.db2.gz RHCYFQRGTJWZDE-NSHDSACASA-N 0 0 317.349 0.698 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]n1 ZINC000557455482 416734027 /nfs/dbraw/zinc/73/40/27/416734027.db2.gz DKLOIQFRWCWULO-FOUMNBMASA-N 0 0 322.409 0.838 10 0 DCAERN O=C(Cn1cc(Cl)c(=O)[nH]c1=O)Nc1ccc2c(c1)OCO2 ZINC000443419713 416756619 /nfs/dbraw/zinc/75/66/19/416756619.db2.gz RWDWXXBIOOGYSI-UHFFFAOYSA-N 0 0 323.692 0.970 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)N2CCc3ccccc3CC2)n1 ZINC000558093448 416761005 /nfs/dbraw/zinc/76/10/05/416761005.db2.gz MYWJNYAOHYLEAY-UHFFFAOYSA-N 0 0 312.373 0.664 10 0 DCAERN COc1cccc(CCNC(=O)N(C[C@@H](C)O)[C@@H](C)CO)n1 ZINC000443619396 416772700 /nfs/dbraw/zinc/77/27/00/416772700.db2.gz HBTVPUVOLPZCGU-NWDGAFQWSA-N 0 0 311.382 0.406 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCSC[C@H]1CCO ZINC000558500568 416772832 /nfs/dbraw/zinc/77/28/32/416772832.db2.gz QBCIPJMRDNKESD-GFCCVEGCSA-N 0 0 310.423 1.551 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCOC[C@H]2c2noc(C)n2)n1 ZINC000369442746 416774617 /nfs/dbraw/zinc/77/46/17/416774617.db2.gz ZENIUUQNHLOIJO-LBPRGKRZSA-N 0 0 305.338 0.791 10 0 DCAERN CN1CCO[C@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897290 416783941 /nfs/dbraw/zinc/78/39/41/416783941.db2.gz SNPQXMYZTZGHLW-KBPBESRZSA-N 0 0 302.440 0.911 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)C(=O)NCc3cc[nH]n3)nc2c1 ZINC000559289175 416811301 /nfs/dbraw/zinc/81/13/01/416811301.db2.gz RCUHBWVIWYQMCC-UHFFFAOYSA-N 0 0 312.333 0.527 10 0 DCAERN c1nnn(Cc2ccccc2)c1CNc1nc2ncccn2n1 ZINC000427253850 416812095 /nfs/dbraw/zinc/81/20/95/416812095.db2.gz TVSYAZJVMQMXBR-UHFFFAOYSA-N 0 0 306.333 1.376 10 0 DCAERN CCn1cccc(CNC(=O)Nc2ncn(C(C)(C)C)n2)c1=O ZINC000562418844 416865513 /nfs/dbraw/zinc/86/55/13/416865513.db2.gz GEQFYBDSACQBQA-UHFFFAOYSA-N 0 0 318.381 1.536 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000517811679 416825926 /nfs/dbraw/zinc/82/59/26/416825926.db2.gz IGMWWGFVHYZHLJ-CYBMUJFWSA-N 0 0 321.421 0.953 10 0 DCAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC(O)(CO)C2)cc1 ZINC000615426794 416826428 /nfs/dbraw/zinc/82/64/28/416826428.db2.gz MWEIICMCUUCXKT-CYBMUJFWSA-N 0 0 321.373 0.541 10 0 DCAERN Cc1noc(CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000369860371 416838385 /nfs/dbraw/zinc/83/83/85/416838385.db2.gz BXKQZUUBKKTVHZ-CQSZACIVSA-N 0 0 310.354 0.858 10 0 DCAERN Cn1nccc1[C@@H](CO)NC(=O)c1csc(NC2CC2)n1 ZINC000560502352 416852513 /nfs/dbraw/zinc/85/25/13/416852513.db2.gz ZNPTUQPLZTUWST-SECBINFHSA-N 0 0 307.379 0.914 10 0 DCAERN C(C1CCOCC1)n1nnnc1CN1CCO[C@@]2(CCOC2)C1 ZINC000444686947 416858412 /nfs/dbraw/zinc/85/84/12/416858412.db2.gz YIQJQNRCUJGIEL-HNNXBMFYSA-N 0 0 323.397 0.091 10 0 DCAERN c1cc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000373395051 416958763 /nfs/dbraw/zinc/95/87/63/416958763.db2.gz WPSLLSDFSQMAMC-BBRMVZONSA-N 0 0 320.393 1.063 10 0 DCAERN CNc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)cn1 ZINC000370576332 416897957 /nfs/dbraw/zinc/89/79/57/416897957.db2.gz RLBAHVCMOTVGJE-LLVKDONJSA-N 0 0 316.365 1.550 10 0 DCAERN O=C1[C@@H](NS(=O)(=O)c2ccco2)CCN1C1CCOCC1 ZINC000445731129 416898864 /nfs/dbraw/zinc/89/88/64/416898864.db2.gz GUUPYFYSEILQEV-NSHDSACASA-N 0 0 314.363 0.338 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000445778506 416898896 /nfs/dbraw/zinc/89/88/96/416898896.db2.gz YIQAAEFIXSNOAF-VIFPVBQESA-N 0 0 321.381 0.103 10 0 DCAERN COc1cc(C)c(C(=O)Nc2ccn(CC(N)=O)n2)cc1OC ZINC000445919881 416906062 /nfs/dbraw/zinc/90/60/62/416906062.db2.gz OLGRKLXHHKILPE-UHFFFAOYSA-N 0 0 318.333 0.946 10 0 DCAERN CN1C[C@H](Nc2cc(Br)cnc2C(N)=O)CC1=O ZINC000519512080 416907170 /nfs/dbraw/zinc/90/71/70/416907170.db2.gz RTFVQGKFSUMFDF-SSDOTTSWSA-N 0 0 313.155 0.586 10 0 DCAERN COC[C@H](C)CC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000446031873 416911196 /nfs/dbraw/zinc/91/11/96/416911196.db2.gz RTTYJZJVLDSGQL-CYBMUJFWSA-N 0 0 321.425 0.864 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ncns3)CC2)C1 ZINC000615802147 416914841 /nfs/dbraw/zinc/91/48/41/416914841.db2.gz MCUFEOXDPVBDBY-CQSZACIVSA-N 0 0 323.422 0.445 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC000615818273 416915230 /nfs/dbraw/zinc/91/52/30/416915230.db2.gz FEYUJQOFZBKRFY-SUNKGSAMSA-N 0 0 318.377 0.956 10 0 DCAERN COC(=O)[C@@]1(NC(=O)C(=O)c2ccc3c(c2)CCC3)CCOC1 ZINC000446488043 416930177 /nfs/dbraw/zinc/93/01/77/416930177.db2.gz IHGKARZLRMOGEU-QGZVFWFLSA-N 0 0 317.341 0.806 10 0 DCAERN COCc1nc(C)cc(N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000372720181 416942253 /nfs/dbraw/zinc/94/22/53/416942253.db2.gz YCNBFNZVDUILEY-CYBMUJFWSA-N 0 0 320.393 1.123 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2n[nH]c(C)c2Br)C1 ZINC000616009291 416952263 /nfs/dbraw/zinc/95/22/63/416952263.db2.gz SQUFZJYUUJRELH-UHFFFAOYSA-N 0 0 301.144 0.897 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCSC[C@H]1CCO ZINC000447223929 416971966 /nfs/dbraw/zinc/97/19/66/416971966.db2.gz UUUVDDKJDKGYGC-SNVBAGLBSA-N 0 0 313.354 0.486 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@H]1CO ZINC000565401152 416972794 /nfs/dbraw/zinc/97/27/94/416972794.db2.gz JIFOZPIXBHUMDA-JQWIXIFHSA-N 0 0 302.334 0.502 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(CC(=O)N1CCNC1=O)CC2 ZINC000374334959 416980593 /nfs/dbraw/zinc/98/05/93/416980593.db2.gz YFXJBAZNCINKCX-UHFFFAOYSA-N 0 0 315.373 0.842 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN([C@H](C(=O)OC)C2CC2)C1 ZINC000447395256 416996648 /nfs/dbraw/zinc/99/66/48/416996648.db2.gz NLZGQOKGGMWLSG-BNOWGMLFSA-N 0 0 301.383 0.284 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN([C@H](C(=O)OC)C2CC2)C1 ZINC000447395263 416998369 /nfs/dbraw/zinc/99/83/69/416998369.db2.gz NLZGQOKGGMWLSG-YUTCNCBUSA-N 0 0 301.383 0.284 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)N1Cc2c[nH]nc2C1 ZINC000389162475 417097621 /nfs/dbraw/zinc/09/76/21/417097621.db2.gz YYIXDZPDHJVRHW-UHFFFAOYSA-N 0 0 323.150 0.876 10 0 DCAERN CO[C@H]1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC1(C)C ZINC000632410461 417072450 /nfs/dbraw/zinc/07/24/50/417072450.db2.gz FJCGLCACEQLPMR-OLZOCXBDSA-N 0 0 320.455 0.394 10 0 DCAERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OC(C)=O ZINC000616587160 417081356 /nfs/dbraw/zinc/08/13/56/417081356.db2.gz ICAMXOWGAZACCP-ODICJLLRSA-N 0 0 324.329 0.765 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1c1cn[nH]n1 ZINC000616599786 417083493 /nfs/dbraw/zinc/08/34/93/417083493.db2.gz WOTUDMINTGXWEW-CYBMUJFWSA-N 0 0 308.363 0.957 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2cccnn2)C1 ZINC000616600996 417083939 /nfs/dbraw/zinc/08/39/39/417083939.db2.gz DZFUQPHIINVOHJ-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCC[C@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616628653 417084210 /nfs/dbraw/zinc/08/42/10/417084210.db2.gz BPOLGHBOQXGFNZ-LBPRGKRZSA-N 0 0 318.420 0.518 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@H](c2conn2)C1 ZINC000616595995 417084972 /nfs/dbraw/zinc/08/49/72/417084972.db2.gz WWHKFTRDJRKHIP-LLVKDONJSA-N 0 0 309.347 0.874 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1CN(S(C)(=O)=O)CCN1 ZINC000616635850 417086845 /nfs/dbraw/zinc/08/68/45/417086845.db2.gz VHQPHXADFAKVFD-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NC1COCCOC1 ZINC000380369479 417087341 /nfs/dbraw/zinc/08/73/41/417087341.db2.gz LVBACZGVFMGQDU-UHFFFAOYSA-N 0 0 300.380 0.812 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616651050 417087617 /nfs/dbraw/zinc/08/76/17/417087617.db2.gz IUUZJCMQHKIMAK-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CNCCN1S(C)(=O)=O ZINC000616639962 417088515 /nfs/dbraw/zinc/08/85/15/417088515.db2.gz SVXRIUHNXRYSIE-JTQLQIEISA-N 0 0 307.416 0.135 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616662631 417089260 /nfs/dbraw/zinc/08/92/60/417089260.db2.gz JPPLZXSFUODWHB-ZDUSSCGKSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2cccc3nnccc32)C1 ZINC000616658762 417089560 /nfs/dbraw/zinc/08/95/60/417089560.db2.gz LOKIDBRHRPTEOA-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1COCCN(S(N)(=O)=O)C1 ZINC000616663471 417089928 /nfs/dbraw/zinc/08/99/28/417089928.db2.gz QCHOTMBLYSDFFY-JTQLQIEISA-N 0 0 323.415 0.053 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2conn2)C1 ZINC000616664191 417090661 /nfs/dbraw/zinc/09/06/61/417090661.db2.gz WWHKFTRDJRKHIP-NSHDSACASA-N 0 0 309.347 0.874 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2cc3ccccc3nn2)CC1 ZINC000616665867 417091282 /nfs/dbraw/zinc/09/12/82/417091282.db2.gz ALSXOWZUBSDFRH-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)NCCCO)CC2 ZINC000448672584 417091362 /nfs/dbraw/zinc/09/13/62/417091362.db2.gz GZPVKONEBYMYAA-UHFFFAOYSA-N 0 0 308.378 0.561 10 0 DCAERN COC(=O)[C@@H]1CN(CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616680112 417093658 /nfs/dbraw/zinc/09/36/58/417093658.db2.gz NDSHUGVGMHROGR-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN CNC(=O)C1CN(C(=O)c2nscc2Br)C1 ZINC000404882232 417119869 /nfs/dbraw/zinc/11/98/69/417119869.db2.gz GOYZICOWFYVLPQ-UHFFFAOYSA-N 0 0 304.169 0.724 10 0 DCAERN COC(=O)Cc1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)n1 ZINC000616850288 417121668 /nfs/dbraw/zinc/12/16/68/417121668.db2.gz HCLBAULRHUMGFZ-SNVBAGLBSA-N 0 0 321.337 0.072 10 0 DCAERN CC1CCC(S(=O)(=O)N2CCCN(CCO)CC2)CC1 ZINC000407301459 417127095 /nfs/dbraw/zinc/12/70/95/417127095.db2.gz KVUNVVOPJTWOCX-UHFFFAOYSA-N 0 0 304.456 0.895 10 0 DCAERN CC1CCC(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000407399666 417128869 /nfs/dbraw/zinc/12/88/69/417128869.db2.gz RQLXNGLBOZZEBK-MCIGGMRASA-N 0 0 324.468 0.648 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000408069468 417136764 /nfs/dbraw/zinc/13/67/64/417136764.db2.gz BQTCDFICINDNIK-GZBFAFLISA-N 0 0 311.426 0.301 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000408078105 417140849 /nfs/dbraw/zinc/14/08/49/417140849.db2.gz ATZNLJOQCWZLTQ-HBNTYKKESA-N 0 0 303.380 0.079 10 0 DCAERN Cc1c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1S(N)(=O)=O ZINC000408188720 417146265 /nfs/dbraw/zinc/14/62/65/417146265.db2.gz UKBVMVAJWNOZCU-CYZMBNFOSA-N 0 0 324.402 0.485 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCS1(=O)=O ZINC000408196841 417146621 /nfs/dbraw/zinc/14/66/21/417146621.db2.gz CSJSMBBYANWJQA-GHMZBOCLSA-N 0 0 316.423 0.279 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000408201924 417147116 /nfs/dbraw/zinc/14/71/16/417147116.db2.gz GVVOUGFLPHQEHD-APIJFGDWSA-N 0 0 323.437 0.470 10 0 DCAERN CC(C)N(C[C@@H](C)O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408263552 417151525 /nfs/dbraw/zinc/15/15/25/417151525.db2.gz WZBMOTQBSJTDLS-NEPJUHHUSA-N 0 0 321.443 0.211 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1C[C@@H](C)O ZINC000408317136 417155000 /nfs/dbraw/zinc/15/50/00/417155000.db2.gz VOKBLGBWSRNQSU-NXEZZACHSA-N 0 0 318.361 0.656 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000408336065 417156333 /nfs/dbraw/zinc/15/63/33/417156333.db2.gz YDFHEVIGHNEVHA-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCO[C@@H](CO)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000408369969 417156963 /nfs/dbraw/zinc/15/69/63/417156963.db2.gz FDUOCWFGCAIFTD-TUVASFSCSA-N 0 0 314.426 0.340 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408411196 417159653 /nfs/dbraw/zinc/15/96/53/417159653.db2.gz DWGIGRIMJGJSQQ-DDHJBXDOSA-N 0 0 304.412 0.628 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@H]3CCC(=O)[C@@H]3C)CC2)[nH]1 ZINC000526004391 417172073 /nfs/dbraw/zinc/17/20/73/417172073.db2.gz NEAXWIPKJJUQPA-DGCLKSJQSA-N 0 0 319.409 0.763 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O ZINC000526015802 417172229 /nfs/dbraw/zinc/17/22/29/417172229.db2.gz ZIOQAKTZXKCACR-NWDGAFQWSA-N 0 0 307.394 0.515 10 0 DCAERN COC[C@@H]1CCN1C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000568796023 417181563 /nfs/dbraw/zinc/18/15/63/417181563.db2.gz OTZHNXIILXSFKF-WQGACYEGSA-N 0 0 323.393 0.734 10 0 DCAERN COC(=O)[C@H]1CCCCCC[C@H]1NS(=O)(=O)C1COC1 ZINC000617241061 417184539 /nfs/dbraw/zinc/18/45/39/417184539.db2.gz IUMQFCGRTOLTSF-NWDGAFQWSA-N 0 0 305.396 0.817 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccccc1F ZINC000632629422 417201290 /nfs/dbraw/zinc/20/12/90/417201290.db2.gz SZZLWTUJASFQEL-NSHDSACASA-N 0 0 302.371 0.777 10 0 DCAERN O=C([N-]S(=O)(=O)[C@H]1CCCOC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408483876 417164009 /nfs/dbraw/zinc/16/40/09/417164009.db2.gz MUIIKRKWCHRKTG-STQMWFEESA-N 0 0 316.423 0.486 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000408458688 417164662 /nfs/dbraw/zinc/16/46/62/417164662.db2.gz GMTHSSLYJFNYSV-CHWSQXEVSA-N 0 0 311.407 0.484 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000620724393 417269411 /nfs/dbraw/zinc/26/94/11/417269411.db2.gz LOHJJASKZYSHFQ-INIZCTEOSA-N 0 0 313.405 0.956 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cc2cncs2)CC1 ZINC000438429381 287370531 /nfs/dbraw/zinc/37/05/31/287370531.db2.gz UMAFPQIVJYTNNI-UHFFFAOYSA-N 0 0 311.407 0.781 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)NCC(C)C)CC12COC2 ZINC000451144078 417304941 /nfs/dbraw/zinc/30/49/41/417304941.db2.gz XOUQYUBWNOXOCC-STQMWFEESA-N 0 0 312.410 0.659 10 0 DCAERN COCCCS(=O)(=O)NC1(C(=O)N(C)C)CCCCC1 ZINC000451772345 417394677 /nfs/dbraw/zinc/39/46/77/417394677.db2.gz KCRUABLDULSUDS-UHFFFAOYSA-N 0 0 306.428 0.733 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CC(C)C)CC12COC2 ZINC000451617286 417367275 /nfs/dbraw/zinc/36/72/75/417367275.db2.gz ATTSLDOQDJOOBQ-NSHDSACASA-N 0 0 305.396 0.484 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000529276094 417431966 /nfs/dbraw/zinc/43/19/66/417431966.db2.gz PMLSUZYDUKGRID-SMDDNHRTSA-N 0 0 313.361 0.723 10 0 DCAERN CC1(C)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)[C@H]1c1ccco1 ZINC000633792314 417487561 /nfs/dbraw/zinc/48/75/61/417487561.db2.gz BXTJCMFICZVPAA-OXHZDVMGSA-N 0 0 307.346 0.602 10 0 DCAERN Cn1nccc1[C@H](CO)NC(=O)c1cnc(OCC2CC2)cn1 ZINC000622694880 417487975 /nfs/dbraw/zinc/48/79/75/417487975.db2.gz WMQJHAKAZVFAOI-LBPRGKRZSA-N 0 0 317.349 0.462 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cccc(CO)c2)CC12COC2 ZINC000452610378 417493311 /nfs/dbraw/zinc/49/33/11/417493311.db2.gz FCURNPNBBRCOBU-CQSZACIVSA-N 0 0 319.357 0.831 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@@](C)(O)C2CC2)CC12COC2 ZINC000452264978 417462470 /nfs/dbraw/zinc/46/24/70/417462470.db2.gz PJXMWQXRJYSUMX-IUODEOHRSA-N 0 0 311.378 0.576 10 0 DCAERN C[C@H](O)CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000439006240 287380600 /nfs/dbraw/zinc/38/06/00/287380600.db2.gz LMKKZNCFCWCHPO-AWEZNQCLSA-N 0 0 312.435 0.905 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)s1 ZINC000453959516 417540026 /nfs/dbraw/zinc/54/00/26/417540026.db2.gz CJKXPJJJNTYYAH-RKDXNWHRSA-N 0 0 313.379 0.171 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000575037169 417500995 /nfs/dbraw/zinc/50/09/95/417500995.db2.gz PMDAVAMPDMUYQU-NTSWFWBYSA-N 0 0 314.271 1.451 10 0 DCAERN CO[C@@]1(c2nnc(CN3CCOCC(F)(F)C3)o2)CCOC1 ZINC000644271611 417519091 /nfs/dbraw/zinc/51/90/91/417519091.db2.gz OPJXGFRQDOELIY-LBPRGKRZSA-N 0 0 319.308 0.799 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)nn1 ZINC000622981944 417521118 /nfs/dbraw/zinc/52/11/18/417521118.db2.gz JNEOUVAZDDPDKN-KWQFWETISA-N 0 0 320.271 0.659 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1c1cn[nH]n1 ZINC000623031800 417528097 /nfs/dbraw/zinc/52/80/97/417528097.db2.gz VBXWECJZYJNVAE-WCQYABFASA-N 0 0 316.365 0.973 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000530514078 417582028 /nfs/dbraw/zinc/58/20/28/417582028.db2.gz QGSLNKIQBDAGOV-UTUOFQBUSA-N 0 0 304.412 0.820 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N(C)Cc2cnn(C)c2C)CC1 ZINC000575948906 417564426 /nfs/dbraw/zinc/56/44/26/417564426.db2.gz GXDGGKYGHODOGK-CYBMUJFWSA-N 0 0 321.425 0.240 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2cnn(C)c2C)CC1 ZINC000575948907 417565744 /nfs/dbraw/zinc/56/57/44/417565744.db2.gz GXDGGKYGHODOGK-ZDUSSCGKSA-N 0 0 321.425 0.240 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)CSC)CC12COC2 ZINC000454552944 417567142 /nfs/dbraw/zinc/56/71/42/417567142.db2.gz ZNJDFPRKEDRUSW-WDEREUQCSA-N 0 0 316.423 0.959 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000576655015 417628539 /nfs/dbraw/zinc/62/85/39/417628539.db2.gz QESCYVWTNBLCAA-KBPBESRZSA-N 0 0 309.410 0.495 10 0 DCAERN CO[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C)C1CC1 ZINC000628575009 417654788 /nfs/dbraw/zinc/65/47/88/417654788.db2.gz FKKXRZYGWUUVBV-CZUORRHYSA-N 0 0 312.410 0.143 10 0 DCAERN CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nnnn1C ZINC000532072666 417657626 /nfs/dbraw/zinc/65/76/26/417657626.db2.gz CJEOWGPPKQAZOC-UHFFFAOYSA-N 0 0 307.358 0.566 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000532165294 417664019 /nfs/dbraw/zinc/66/40/19/417664019.db2.gz SEGYABIGFQWPAL-BXKDBHETSA-N 0 0 316.404 0.507 10 0 DCAERN CC(=O)N1CCN(Cc2nnnn2Cc2ccccc2)[C@@H](C)C1 ZINC000532422613 417679265 /nfs/dbraw/zinc/67/92/65/417679265.db2.gz IBZQHLIMKZLTRT-ZDUSSCGKSA-N 0 0 314.393 0.774 10 0 DCAERN COc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2O)cc1OC ZINC000629219767 417760245 /nfs/dbraw/zinc/76/02/45/417760245.db2.gz HQLMVJAJTNTYAZ-STQMWFEESA-N 0 0 309.362 0.902 10 0 DCAERN CCc1ccc(CCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458148824 417725207 /nfs/dbraw/zinc/72/52/07/417725207.db2.gz UFJJNKUGNUICHH-HNNXBMFYSA-N 0 0 302.378 0.950 10 0 DCAERN CC(=O)c1cccc(NC(=O)N[C@H](CO)CN2CCOCC2)c1 ZINC000631472487 417887907 /nfs/dbraw/zinc/88/79/07/417887907.db2.gz PDUZQIMTYHPYFK-HNNXBMFYSA-N 0 0 321.377 0.704 10 0 DCAERN C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCCO1 ZINC000183123016 545906914 /nfs/dbraw/zinc/90/69/14/545906914.db2.gz JHJMXXFDFBLWNS-ZIAGYGMSSA-N 0 0 313.442 0.371 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000487124435 287532276 /nfs/dbraw/zinc/53/22/76/287532276.db2.gz RKEIJQLNEGILBN-UWVGGRQHSA-N 0 0 324.381 0.719 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccnc1OC ZINC000488287727 287548444 /nfs/dbraw/zinc/54/84/44/287548444.db2.gz QVRSKBOLVOSZEB-NXEZZACHSA-N 0 0 323.349 0.276 10 0 DCAERN CN(C)C(=O)CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489522498 287554723 /nfs/dbraw/zinc/55/47/23/287554723.db2.gz YTSQDJJYFBDZSX-UHFFFAOYSA-N 0 0 302.334 0.748 10 0 DCAERN CNC(=O)CCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489530487 287554987 /nfs/dbraw/zinc/55/49/87/287554987.db2.gz WZLJAPBVPGRNQK-UHFFFAOYSA-N 0 0 302.334 0.796 10 0 DCAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299753341 229398737 /nfs/dbraw/zinc/39/87/37/229398737.db2.gz XWMNBXNABUNRJF-VXGBXAGGSA-N 0 0 311.345 0.822 10 0 DCAERN OC[C@@H]1CCCN(c2cc(NCCn3ccnn3)ncn2)C1 ZINC000302192521 230152098 /nfs/dbraw/zinc/15/20/98/230152098.db2.gz RKFHNXOSVKJOQW-GFCCVEGCSA-N 0 0 303.370 0.389 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)N1CCOCC1 ZINC000046269126 261106488 /nfs/dbraw/zinc/10/64/88/261106488.db2.gz CSTKICWVFDMDGP-SWLSCSKDSA-N 0 0 318.373 0.605 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCOC3)CC2)n1 ZINC000179171740 261111467 /nfs/dbraw/zinc/11/14/67/261111467.db2.gz QGGRSVRDWCTDKV-VXGBXAGGSA-N 0 0 323.397 0.809 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CCOC3)CC2)n1 ZINC000179171598 261112248 /nfs/dbraw/zinc/11/22/48/261112248.db2.gz APOXZKIYZOTWSC-JQWIXIFHSA-N 0 0 309.370 0.555 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCN(C)C(=O)[C@@H]2C)n1 ZINC000186514114 261120982 /nfs/dbraw/zinc/12/09/82/261120982.db2.gz DOXOOIYFTVKUDO-NSHDSACASA-N 0 0 323.397 0.998 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000187324009 261123840 /nfs/dbraw/zinc/12/38/40/261123840.db2.gz XACBYPWXFOYNGS-LBPRGKRZSA-N 0 0 318.439 0.732 10 0 DCAERN COC(=O)[C@H]1CCC[C@H](C(=O)NCc2cc(C(N)=O)co2)C1 ZINC000187846859 261125083 /nfs/dbraw/zinc/12/50/83/261125083.db2.gz OTDAUEKGNFSPAG-UWVGGRQHSA-N 0 0 308.334 0.974 10 0 DCAERN Cc1ccc(C[C@H](CO)NC(=O)NCCCn2ccnn2)cc1 ZINC000188464209 261128042 /nfs/dbraw/zinc/12/80/42/261128042.db2.gz XYNGOFGTFNQMPT-OAHLLOKOSA-N 0 0 317.393 0.879 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000188648531 261129749 /nfs/dbraw/zinc/12/97/49/261129749.db2.gz MPVVSQJFOLFJKY-DTWKUNHWSA-N 0 0 315.333 0.092 10 0 DCAERN CCC[C@@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000189020697 261130509 /nfs/dbraw/zinc/13/05/09/261130509.db2.gz UTLHHRWATSIFOC-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@H](CO)O1 ZINC000189202813 261131041 /nfs/dbraw/zinc/13/10/41/261131041.db2.gz VUGYXSGSUZQDFS-GXFFZTMASA-N 0 0 312.341 0.609 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000189759927 261133361 /nfs/dbraw/zinc/13/33/61/261133361.db2.gz NSWKCDQRIAFDTE-OLZOCXBDSA-N 0 0 310.398 0.830 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000190278110 261134728 /nfs/dbraw/zinc/13/47/28/261134728.db2.gz WRRVKZMZNBXAOL-VXGBXAGGSA-N 0 0 321.377 0.915 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCOCC(F)F)cc1 ZINC000190963918 261135487 /nfs/dbraw/zinc/13/54/87/261135487.db2.gz CWADELMUMUTHTF-UHFFFAOYSA-N 0 0 322.333 0.606 10 0 DCAERN COc1cc(OC)cc(N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC000191268646 261136435 /nfs/dbraw/zinc/13/64/35/261136435.db2.gz LUFWCMDYDNCMCB-CQSZACIVSA-N 0 0 310.394 0.833 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H](CO)O1 ZINC000191866241 261138207 /nfs/dbraw/zinc/13/82/07/261138207.db2.gz JXFVXFKHOOVGLZ-ZWNOBZJWSA-N 0 0 303.318 0.958 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000194692981 261147863 /nfs/dbraw/zinc/14/78/63/261147863.db2.gz JCILLRXOUFVEFP-ZDUSSCGKSA-N 0 0 317.455 0.403 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000195035928 261149526 /nfs/dbraw/zinc/14/95/26/261149526.db2.gz KDXSMIAKCYLCRA-UHFFFAOYSA-N 0 0 319.409 0.822 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000194891685 261149777 /nfs/dbraw/zinc/14/97/77/261149777.db2.gz XZHPMDPZAKZAJY-UONOGXRCSA-N 0 0 323.441 0.848 10 0 DCAERN O=C(CCC1CCCC1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194866100 261149938 /nfs/dbraw/zinc/14/99/38/261149938.db2.gz TXSJXIUFOBLRQS-CQSZACIVSA-N 0 0 321.421 0.764 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000221910157 261152197 /nfs/dbraw/zinc/15/21/97/261152197.db2.gz JEFJOLQAZPZREK-AAEUAGOBSA-N 0 0 318.439 0.277 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCc1nccs1 ZINC000234575220 261155192 /nfs/dbraw/zinc/15/51/92/261155192.db2.gz CVHFHMKNUPOTJR-ZJUUUORDSA-N 0 0 318.420 0.947 10 0 DCAERN Cn1cc(C(=O)NCCN2CCSCC2)c([C@H]2CCOC2)n1 ZINC000275423381 261170792 /nfs/dbraw/zinc/17/07/92/261170792.db2.gz DLXXAHZHFIGQBA-LBPRGKRZSA-N 0 0 324.450 0.703 10 0 DCAERN NC(=O)C1(O)CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000319489916 261177344 /nfs/dbraw/zinc/17/73/44/261177344.db2.gz VAIAKUBMSXQWRH-GFCCVEGCSA-N 0 0 324.764 0.482 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(C)=O)cc1 ZINC000354304068 261202394 /nfs/dbraw/zinc/20/23/94/261202394.db2.gz VLOSYZTUUFWPMR-GJZGRUSLSA-N 0 0 319.361 0.243 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000354690374 261260006 /nfs/dbraw/zinc/26/00/06/261260006.db2.gz MYYISTCBJRLIBK-UHFFFAOYSA-N 0 0 313.317 0.277 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCO[C@H]2CCOC2)[C@H](C)C1 ZINC000357847090 261592476 /nfs/dbraw/zinc/59/24/76/261592476.db2.gz AFIOIMLOJUNZGO-OCCSQVGLSA-N 0 0 313.398 0.444 10 0 DCAERN CC(C)CN1CCN(C(=O)NCCc2cn[nH]c2)[C@@H](C)C1=O ZINC000358199389 261647016 /nfs/dbraw/zinc/64/70/16/261647016.db2.gz RKPSVFWOOHXPHL-LBPRGKRZSA-N 0 0 307.398 0.851 10 0 DCAERN C[C@](O)(CNC(=O)NCCNS(C)(=O)=O)C1CCCCC1 ZINC000358218667 261650640 /nfs/dbraw/zinc/65/06/40/261650640.db2.gz DTWVFMWZCWYXJJ-ZDUSSCGKSA-N 0 0 321.443 0.166 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000358296649 261656803 /nfs/dbraw/zinc/65/68/03/261656803.db2.gz CGZZVMCYXLFUBU-NXEZZACHSA-N 0 0 308.300 0.532 10 0 DCAERN CC[C@H](C(=O)Nc1cccc(S(=O)(=O)NC)c1)C(=O)OC ZINC000358632633 261689230 /nfs/dbraw/zinc/68/92/30/261689230.db2.gz CTPNYCUMEABPMR-LLVKDONJSA-N 0 0 314.363 0.732 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2nc(C)no2)no1 ZINC000358667076 261689929 /nfs/dbraw/zinc/68/99/29/261689929.db2.gz VHFUQGCNLBUXSI-UHFFFAOYSA-N 0 0 323.309 0.887 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(C(N)=O)CCCC1 ZINC000360373468 261826509 /nfs/dbraw/zinc/82/65/09/261826509.db2.gz RAGCDRSQKLSUHV-GFCCVEGCSA-N 0 0 317.389 0.967 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H]1C(N)=O ZINC000360714159 261866059 /nfs/dbraw/zinc/86/60/59/261866059.db2.gz OONQRDUTRKGNBT-BXKDBHETSA-N 0 0 301.350 0.826 10 0 DCAERN CCOC(=O)C[C@@H](C)S(=O)(=O)CC(=O)N(C)CC1CC1 ZINC000361075971 261894690 /nfs/dbraw/zinc/89/46/90/261894690.db2.gz VSRPGBUAPRPZHM-SNVBAGLBSA-N 0 0 305.396 0.611 10 0 DCAERN CNC(=O)CCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361194871 261904753 /nfs/dbraw/zinc/90/47/53/261904753.db2.gz VZOVWVSIGXCAGL-NSHDSACASA-N 0 0 311.304 0.611 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N2CCSC[C@H]2CCO)[C@H]1OC ZINC000362108646 262000494 /nfs/dbraw/zinc/00/04/94/262000494.db2.gz GIUIIFWWNDLCNV-YVECIDJPSA-N 0 0 318.439 0.688 10 0 DCAERN COC[C@@](C)(NC(=O)CN1CCCS1(=O)=O)C(F)(F)F ZINC000362195713 262008388 /nfs/dbraw/zinc/00/83/88/262008388.db2.gz XFPWZCIHWDIXGA-SECBINFHSA-N 0 0 318.317 0.106 10 0 DCAERN COC[C@](C)(NC(=O)CN1CSCC1=O)C(F)(F)F ZINC000362203062 262009092 /nfs/dbraw/zinc/00/90/92/262009092.db2.gz JHIJINOHRSYLGG-VIFPVBQESA-N 0 0 300.302 0.603 10 0 DCAERN CCN(C(=O)CN1CCOCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000362232769 262013707 /nfs/dbraw/zinc/01/37/07/262013707.db2.gz CTKLWRHCWGGJGC-QWHCGFSZSA-N 0 0 318.439 0.133 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000362240842 262014475 /nfs/dbraw/zinc/01/44/75/262014475.db2.gz UJRSQSQHGNOLEL-CHWSQXEVSA-N 0 0 319.409 0.843 10 0 DCAERN CNC(=O)[C@]1(C)CCN(C(=O)NCc2nnc3ccccn32)C1 ZINC000362362843 262026556 /nfs/dbraw/zinc/02/65/56/262026556.db2.gz XNMCOZRXCBCGRS-OAHLLOKOSA-N 0 0 316.365 0.397 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000362433603 262034743 /nfs/dbraw/zinc/03/47/43/262034743.db2.gz PEMGWCKIGFBUAD-NSHDSACASA-N 0 0 306.284 0.955 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncc1 ZINC000362476136 262039571 /nfs/dbraw/zinc/03/95/71/262039571.db2.gz GHEYAQNNXTZFGC-UWVGGRQHSA-N 0 0 308.338 0.081 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1nccs1 ZINC000362477728 262039926 /nfs/dbraw/zinc/03/99/26/262039926.db2.gz XJMZYRLVVHAIJQ-SFYZADRCSA-N 0 0 314.367 0.721 10 0 DCAERN CNC(=O)CNC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000363061460 262096082 /nfs/dbraw/zinc/09/60/82/262096082.db2.gz PKKMPDFCUKRXCD-INIZCTEOSA-N 0 0 303.362 0.544 10 0 DCAERN O=C(COc1ccccc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363580315 262122797 /nfs/dbraw/zinc/12/27/97/262122797.db2.gz NUACPOYCTOUWDX-OAHLLOKOSA-N 0 0 318.373 0.962 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363820605 262133010 /nfs/dbraw/zinc/13/30/10/262133010.db2.gz IETUXSDUNGOPTC-LBPRGKRZSA-N 0 0 307.394 0.885 10 0 DCAERN O=C(NCc1ccc(O)c(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000363965190 262137850 /nfs/dbraw/zinc/13/78/50/262137850.db2.gz DZDHKACIJSKTPV-GFCCVEGCSA-N 0 0 309.341 0.757 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H](CO)C1CC1 ZINC000358324918 271049001 /nfs/dbraw/zinc/04/90/01/271049001.db2.gz CMFDTFHWQSPDHX-JTQLQIEISA-N 0 0 305.334 0.583 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C(=O)c2ccc(F)cc2)CC1 ZINC000358774306 271070787 /nfs/dbraw/zinc/07/07/87/271070787.db2.gz WSXIEHZFTWTYJW-UHFFFAOYSA-N 0 0 321.352 0.289 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000358795178 271072459 /nfs/dbraw/zinc/07/24/59/271072459.db2.gz FTQAONZWYUAUPL-BFHYXJOUSA-N 0 0 309.410 0.761 10 0 DCAERN COC[C@](C)(NS(=O)(=O)c1ccnn1C)C(F)(F)F ZINC000358798840 271073948 /nfs/dbraw/zinc/07/39/48/271073948.db2.gz LFHLMGCUVFZPGN-QMMMGPOBSA-N 0 0 301.290 0.666 10 0 DCAERN COc1ccc(C(=O)NCc2ccn(C)n2)cc1-n1cnnn1 ZINC000359003623 271087119 /nfs/dbraw/zinc/08/71/19/271087119.db2.gz BNTGSCVKODPILU-UHFFFAOYSA-N 0 0 313.321 0.334 10 0 DCAERN CCc1nn(C)cc1NC(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000359098234 271094728 /nfs/dbraw/zinc/09/47/28/271094728.db2.gz MDFQXNYSQNURQF-UHFFFAOYSA-N 0 0 304.354 0.910 10 0 DCAERN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CCCO)c1 ZINC000359601577 271129999 /nfs/dbraw/zinc/12/99/99/271129999.db2.gz HHVZNBSCAQUUKS-IAQYHMDHSA-N 0 0 320.389 0.826 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000359768025 271141422 /nfs/dbraw/zinc/14/14/22/271141422.db2.gz OMTZZDCVBOEZHU-WCQYABFASA-N 0 0 315.373 0.684 10 0 DCAERN O=C(N1CCC[C@@H](OCCO)C1)C1(N2CCOCC2)CCC1 ZINC000363719056 271202970 /nfs/dbraw/zinc/20/29/70/271202970.db2.gz OGDFIMGYLNGQNV-CQSZACIVSA-N 0 0 312.410 0.241 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCOCC[C@H]1C ZINC000363891031 271207455 /nfs/dbraw/zinc/20/74/55/271207455.db2.gz HOPFPHVONQMDIT-LLVKDONJSA-N 0 0 307.350 0.270 10 0 DCAERN C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000398790403 271218607 /nfs/dbraw/zinc/21/86/07/271218607.db2.gz RQEYILOEKKTDCF-RKDXNWHRSA-N 0 0 307.803 0.713 10 0 DCAERN C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000398715858 271219120 /nfs/dbraw/zinc/21/91/20/271219120.db2.gz QIYCTWVCPFMPRH-FVCCEPFGSA-N 0 0 306.428 0.291 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000435278935 271559477 /nfs/dbraw/zinc/55/94/77/271559477.db2.gz NRFRQMBGCKUSFR-UHFFFAOYSA-N 0 0 319.365 0.014 10 0 DCAERN COC[C@@H](NC(=O)NCC1(CO)COC1)c1ccc(F)cc1 ZINC000437985293 271627285 /nfs/dbraw/zinc/62/72/85/271627285.db2.gz JPHBLQPVCVZPMN-CYBMUJFWSA-N 0 0 312.341 0.821 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000439715431 271644686 /nfs/dbraw/zinc/64/46/86/271644686.db2.gz DZFJQSHQRIZRNY-CHWSQXEVSA-N 0 0 312.410 0.633 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cncc(F)c2)[nH]n1 ZINC000440075441 271648611 /nfs/dbraw/zinc/64/86/11/271648611.db2.gz OXTPPNAYHNGCIB-MRVPVSSYSA-N 0 0 305.313 0.938 10 0 DCAERN CCn1nccc1NC(=O)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000446804273 271768613 /nfs/dbraw/zinc/76/86/13/271768613.db2.gz QNQKEEOMWUKOJW-ZDUSSCGKSA-N 0 0 316.361 0.734 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccccc2O)CC12COC2 ZINC000452251626 271912180 /nfs/dbraw/zinc/91/21/80/271912180.db2.gz CUEIDUBEQDFVBI-ZDUSSCGKSA-N 0 0 319.357 0.973 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458121062 271943009 /nfs/dbraw/zinc/94/30/09/271943009.db2.gz FPPCEYDTHKSZQX-CYBMUJFWSA-N 0 0 304.350 0.533 10 0 DCAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458138088 271943486 /nfs/dbraw/zinc/94/34/86/271943486.db2.gz MCMYKFYPHHVSKH-JQWIXIFHSA-N 0 0 324.768 0.876 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCO1 ZINC000459890926 272016779 /nfs/dbraw/zinc/01/67/79/272016779.db2.gz GQHRPQRGCPHDSS-BXKDBHETSA-N 0 0 324.299 0.150 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(C(C)C)C2CC2)C1 ZINC000459986010 272022311 /nfs/dbraw/zinc/02/23/11/272022311.db2.gz KGWJYOJCSRHTHB-LBPRGKRZSA-N 0 0 309.410 0.903 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1CCSCC1 ZINC000487109551 272038197 /nfs/dbraw/zinc/03/81/97/272038197.db2.gz HQAXBFJJWWEGCI-VHSXEESVSA-N 0 0 316.423 0.702 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[nH]n1 ZINC000487558605 272041848 /nfs/dbraw/zinc/04/18/48/272041848.db2.gz LDHIGIIJMUIYAE-GXFFZTMASA-N 0 0 307.398 0.958 10 0 DCAERN CN(CC(=O)N(C)CC1CC1)Cc1ncnn1CC(F)F ZINC000490189560 272071702 /nfs/dbraw/zinc/07/17/02/272071702.db2.gz ZJKATXGENBMWEW-UHFFFAOYSA-N 0 0 301.341 0.843 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)N(C)CC2CC2)CC1 ZINC000494381483 272220411 /nfs/dbraw/zinc/22/04/11/272220411.db2.gz ANFUXVTXCCTLCD-UHFFFAOYSA-N 0 0 311.426 0.424 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000494446061 272222197 /nfs/dbraw/zinc/22/21/97/272222197.db2.gz MBMHRPGPPCPJHJ-UHFFFAOYSA-N 0 0 300.399 0.897 10 0 DCAERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000494649993 272227411 /nfs/dbraw/zinc/22/74/11/272227411.db2.gz CMZAFHMWOVIKRK-LLVKDONJSA-N 0 0 317.345 0.744 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccccc1OCCO ZINC000495232677 272242517 /nfs/dbraw/zinc/24/25/17/272242517.db2.gz SZDUWNALBPXTSM-OCCSQVGLSA-N 0 0 308.378 0.970 10 0 DCAERN CCCCOCCNC(=O)C[S@@](=O)Cc1cnc(C)nc1 ZINC000505746078 272393487 /nfs/dbraw/zinc/39/34/87/272393487.db2.gz RPMNSYXJVWVXED-NRFANRHFSA-N 0 0 313.423 0.967 10 0 DCAERN COC(=O)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC1 ZINC000507229377 272394627 /nfs/dbraw/zinc/39/46/27/272394627.db2.gz LPQIPPPKRMTKTQ-NQKGRLOXSA-N 0 0 323.437 0.611 10 0 DCAERN CC1(C)CN(C(=O)c2cccc(C(N)=O)n2)C[C@]2(CCOC2)O1 ZINC000527026514 272598629 /nfs/dbraw/zinc/59/86/29/272598629.db2.gz DIUMRPLWEQSGSS-INIZCTEOSA-N 0 0 319.361 0.591 10 0 DCAERN CC1(C)C[C@@H](C(=O)N2CC[C@@H](S(N)(=O)=O)C2)C(C)(C)O1 ZINC000528536023 272648633 /nfs/dbraw/zinc/64/86/33/272648633.db2.gz VLSJLFURUYXKQO-ZJUUUORDSA-N 0 0 304.412 0.470 10 0 DCAERN Cn1cc(-c2c[nH]cc2C(=O)NC[C@@H](O)[C@@H]2CCCO2)cn1 ZINC000529764952 272708144 /nfs/dbraw/zinc/70/81/44/272708144.db2.gz HTZNVFKZNFQNKN-KGLIPLIRSA-N 0 0 304.350 0.685 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000530850933 272749118 /nfs/dbraw/zinc/74/91/18/272749118.db2.gz WPWYIWDQGBAJGZ-GXCBOPRBSA-N 0 0 307.394 0.370 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC23CCC3)cc1 ZINC000531302467 272759938 /nfs/dbraw/zinc/75/99/38/272759938.db2.gz SBWDELLPEQOBEG-UHFFFAOYSA-N 0 0 316.404 0.651 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000532063600 272776883 /nfs/dbraw/zinc/77/68/83/272776883.db2.gz WVSNHJOOVGDRIB-JLLWLGSASA-N 0 0 308.386 0.555 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1nnnn1C ZINC000532326344 272784571 /nfs/dbraw/zinc/78/45/71/272784571.db2.gz FPDIJGMLQDDSOC-GFCCVEGCSA-N 0 0 314.393 0.615 10 0 DCAERN C[C@H](O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000532766656 272794062 /nfs/dbraw/zinc/79/40/62/272794062.db2.gz XFIVDGFKUVBNLZ-RNJOBUHISA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076259 287671089 /nfs/dbraw/zinc/67/10/89/287671089.db2.gz GBXJIQPSWGDOMK-NXEZZACHSA-N 0 0 317.345 0.744 10 0 DCAERN CNC(=O)[C@@H](C)NC(=O)c1c[nH]c2cc(OC)ccc2c1=O ZINC000535722699 287838303 /nfs/dbraw/zinc/83/83/03/287838303.db2.gz YOCKZXGXPGAEHS-MRVPVSSYSA-N 0 0 303.318 0.401 10 0 DCAERN CN1C[C@H](NC(=O)COc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000538679513 287881052 /nfs/dbraw/zinc/88/10/52/287881052.db2.gz GAJMRUNHDBZDFV-JTQLQIEISA-N 0 0 318.160 0.834 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2cnn(C)c2)C[C@@H]1C ZINC000117282364 276318122 /nfs/dbraw/zinc/31/81/22/276318122.db2.gz OMEPETKCXPBRRU-AWEZNQCLSA-N 0 0 308.426 0.922 10 0 DCAERN CCOc1ccnc(N2CCCN([C@H](C)C(=O)N(C)C)CC2)n1 ZINC000247020292 276384190 /nfs/dbraw/zinc/38/41/90/276384190.db2.gz REISVZJXKZZNAV-CYBMUJFWSA-N 0 0 321.425 0.864 10 0 DCAERN O=C(NCCN1CCSCC1)N1CCSC[C@@H]1CCO ZINC000539312890 287889882 /nfs/dbraw/zinc/88/98/82/287889882.db2.gz BYPLEQPPMYMRAN-LBPRGKRZSA-N 0 0 319.496 0.545 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC(=O)Nc3c(C)ccnc32)C1 ZINC000180861367 276971436 /nfs/dbraw/zinc/97/14/36/276971436.db2.gz GVEIOAGZAMGROL-GFCCVEGCSA-N 0 0 316.361 0.934 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCC1=O ZINC000265730653 276977924 /nfs/dbraw/zinc/97/79/24/276977924.db2.gz BKTPBGWERXAERM-NEPJUHHUSA-N 0 0 305.382 0.920 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175824657 277031348 /nfs/dbraw/zinc/03/13/48/277031348.db2.gz CZOCPUIYNYTSDD-CQSZACIVSA-N 0 0 307.398 0.892 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cs1 ZINC000125362428 277090404 /nfs/dbraw/zinc/09/04/04/277090404.db2.gz RNAIQGULJMFAAM-CBAPKCEASA-N 0 0 310.379 0.828 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553007 277129006 /nfs/dbraw/zinc/12/90/06/277129006.db2.gz XJSYGFHYTDBLOO-KGLIPLIRSA-N 0 0 313.361 0.570 10 0 DCAERN COc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ncn1 ZINC000285897332 277384014 /nfs/dbraw/zinc/38/40/14/277384014.db2.gz JNYWSVSETNEDNP-MNOVXSKESA-N 0 0 307.354 0.422 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000545329513 287997003 /nfs/dbraw/zinc/99/70/03/287997003.db2.gz UWCMSNVCYQJGOP-LLVKDONJSA-N 0 0 322.365 0.965 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@H](C)S(C)(=O)=O)CC1 ZINC000545859675 288002624 /nfs/dbraw/zinc/00/26/24/288002624.db2.gz ZFJKMRYNJODVGM-LBPRGKRZSA-N 0 0 303.428 0.371 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC1 ZINC000184145851 278003246 /nfs/dbraw/zinc/00/32/46/278003246.db2.gz XCIFYVPYNJXQCM-MRVPVSSYSA-N 0 0 302.318 0.821 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1 ZINC000545888074 288004356 /nfs/dbraw/zinc/00/43/56/288004356.db2.gz ZFVVUZFUSNNBOF-GXTWGEPZSA-N 0 0 310.375 0.960 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000366581998 278063037 /nfs/dbraw/zinc/06/30/37/278063037.db2.gz OXCKAPCHOXMHTJ-SUHUHFCYSA-N 0 0 314.407 0.314 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCSC[C@@H]1CCO ZINC000545969007 288008429 /nfs/dbraw/zinc/00/84/29/288008429.db2.gz XLBGTBPCEOVWDP-NSHDSACASA-N 0 0 313.427 0.350 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000376109556 278073150 /nfs/dbraw/zinc/07/31/50/278073150.db2.gz FIPLHTYQOYBKTC-KLHDSHLOSA-N 0 0 318.373 0.615 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)C1 ZINC000190518155 278091072 /nfs/dbraw/zinc/09/10/72/278091072.db2.gz ZZOBFAZHCAPVOM-ZDUSSCGKSA-N 0 0 309.410 0.761 10 0 DCAERN Cc1cc2c(cc1C)[C@@H](C(=O)N(C)Cc1nnnn1C)CO2 ZINC000546022680 288012746 /nfs/dbraw/zinc/01/27/46/288012746.db2.gz MALWBZSMRYQKBO-LBPRGKRZSA-N 0 0 301.350 0.962 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cnnn2C)C1 ZINC000408057961 278147583 /nfs/dbraw/zinc/14/75/83/278147583.db2.gz CJOZCCRBBNBGBP-SCZZXKLOSA-N 0 0 319.287 0.487 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000547438655 288045804 /nfs/dbraw/zinc/04/58/04/288045804.db2.gz GHILJPVXHPFPBW-ZJUUUORDSA-N 0 0 315.361 0.942 10 0 DCAERN CC(C)(C)n1nc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1C1CC1 ZINC000091783234 278583890 /nfs/dbraw/zinc/58/38/90/278583890.db2.gz XHSBNHQDXVOSMQ-CYBMUJFWSA-N 0 0 320.393 0.842 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000081168739 278601893 /nfs/dbraw/zinc/60/18/93/278601893.db2.gz UDJWMZPVINXZFJ-JTQLQIEISA-N 0 0 307.325 0.810 10 0 DCAERN C[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@@H](C(N)=O)O1 ZINC000188488836 288064011 /nfs/dbraw/zinc/06/40/11/288064011.db2.gz WDRAKSKZZQTOJH-SKDRFNHKSA-N 0 0 307.350 0.658 10 0 DCAERN Cc1nc(CN(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)no1 ZINC000547720020 288072255 /nfs/dbraw/zinc/07/22/55/288072255.db2.gz SABWLLSLRFCKGR-UHFFFAOYSA-N 0 0 315.337 0.784 10 0 DCAERN CCn1cc(CC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)cn1 ZINC000547721663 288072457 /nfs/dbraw/zinc/07/24/57/288072457.db2.gz YYMULUCESULLAI-UHFFFAOYSA-N 0 0 322.409 0.541 10 0 DCAERN Cc1sc2ncn(CCC(=O)N3CC(CO)C3)c(=O)c2c1C ZINC000547806826 288081448 /nfs/dbraw/zinc/08/14/48/288081448.db2.gz WKNGGOACVQMNDH-UHFFFAOYSA-N 0 0 321.402 0.916 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)c2ncn(C)n2)C1 ZINC000548036687 288104091 /nfs/dbraw/zinc/10/40/91/288104091.db2.gz RIBLJGFXKIQPKT-WDEREUQCSA-N 0 0 308.386 0.576 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126735893 279125074 /nfs/dbraw/zinc/12/50/74/279125074.db2.gz UFZVXIOSHRYPHE-QWHCGFSZSA-N 0 0 319.471 0.791 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ncn(Cc2ccccc2)n1 ZINC000548060827 288107488 /nfs/dbraw/zinc/10/74/88/288107488.db2.gz PZFBMMUSEWHGPC-UHFFFAOYSA-N 0 0 315.333 0.124 10 0 DCAERN O=C(CN1CCOCC1=O)NCCc1ccc2ccccc2n1 ZINC000548060463 288107623 /nfs/dbraw/zinc/10/76/23/288107623.db2.gz LXRWIHJFPLSGIP-UHFFFAOYSA-N 0 0 313.357 0.752 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000548064185 288108273 /nfs/dbraw/zinc/10/82/73/288108273.db2.gz QCEZXTBYSWILRH-CZUORRHYSA-N 0 0 320.389 0.817 10 0 DCAERN CC(C)C[C@H]1COCCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247033527 279220142 /nfs/dbraw/zinc/22/01/42/279220142.db2.gz REPDCJHNSKRTGL-KGLIPLIRSA-N 0 0 311.426 0.457 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000091778803 279592050 /nfs/dbraw/zinc/59/20/50/279592050.db2.gz ZEDURMKPKOPAAB-SNVBAGLBSA-N 0 0 307.331 0.729 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cnn(-c2ccccn2)c1 ZINC000548717087 288170296 /nfs/dbraw/zinc/17/02/96/288170296.db2.gz RROTWCWWEGEYFZ-UHFFFAOYSA-N 0 0 301.306 0.065 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000548763670 288174432 /nfs/dbraw/zinc/17/44/32/288174432.db2.gz HKEXKKAXVJCGTQ-LSDHHAIUSA-N 0 0 322.409 0.559 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cn1 ZINC000548761953 288173912 /nfs/dbraw/zinc/17/39/12/288173912.db2.gz KBGNWGYTNRVQMJ-GFCCVEGCSA-N 0 0 314.345 0.721 10 0 DCAERN O=C(N[C@H]1CCc2ccccc21)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333845542 279986615 /nfs/dbraw/zinc/98/66/15/279986615.db2.gz OFLIUDNZIDDYKO-KKUMJFAQSA-N 0 0 315.373 0.973 10 0 DCAERN CN(CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000548909116 288186360 /nfs/dbraw/zinc/18/63/60/288186360.db2.gz UBFRUBPYTFBQIQ-CHWSQXEVSA-N 0 0 303.399 0.816 10 0 DCAERN Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C)n1 ZINC000548922692 288187606 /nfs/dbraw/zinc/18/76/06/288187606.db2.gz MMOTWIPTEBXTMW-ZDUSSCGKSA-N 0 0 314.393 0.706 10 0 DCAERN O=C(N[C@H](CO)CC1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000549110274 288192340 /nfs/dbraw/zinc/19/23/40/288192340.db2.gz FPAXBVWULRTTAG-STQMWFEESA-N 0 0 307.398 0.833 10 0 DCAERN CC(C)[C@@H]1N(C(=O)NC[C@@H]2CN(C)CCO2)C[C@]12CCCO2 ZINC000333784164 280046290 /nfs/dbraw/zinc/04/62/90/280046290.db2.gz WBVLDJNJDCDHAL-IJEWVQPXSA-N 0 0 311.426 0.916 10 0 DCAERN COC[C@H](NC(=O)C(=O)NCc1cc[nH]n1)c1ccccc1 ZINC000550183151 288213126 /nfs/dbraw/zinc/21/31/26/288213126.db2.gz NIPONUCAPNHXQW-ZDUSSCGKSA-N 0 0 302.334 0.530 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CCS1(=O)=O ZINC000159185750 288242508 /nfs/dbraw/zinc/24/25/08/288242508.db2.gz RRONJCXKINPENO-SECBINFHSA-N 0 0 307.368 0.633 10 0 DCAERN C[C@@H](NC(=O)COc1cnn(C)c1)C(=O)N1CCCC[C@H]1C ZINC000554567951 288329514 /nfs/dbraw/zinc/32/95/14/288329514.db2.gz HKTFGURUWKBJQW-VXGBXAGGSA-N 0 0 308.382 0.705 10 0 DCAERN CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C)[C@H](C)C1 ZINC000554900320 288340916 /nfs/dbraw/zinc/34/09/16/288340916.db2.gz QZSCNEJBKIYGKK-GFCCVEGCSA-N 0 0 314.393 0.858 10 0 DCAERN CCCN(C(=O)c1cn2cccnc2n1)[C@@H]1CC(=O)N(C)C1=O ZINC000554806413 288338703 /nfs/dbraw/zinc/33/87/03/288338703.db2.gz JKSFZGZRUNLCOW-LLVKDONJSA-N 0 0 315.333 0.339 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408198855 288346891 /nfs/dbraw/zinc/34/68/91/288346891.db2.gz WDXPRCRMKACATK-QWRGUYRKSA-N 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WPOCCRUEHDUVCZ-MPEURRAXSA-N 0 0 300.424 0.915 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000408394817 289228702 /nfs/dbraw/zinc/22/87/02/289228702.db2.gz OYOVLYZVPUJOOT-LBPRGKRZSA-N 0 0 314.411 0.365 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC000328871415 290084449 /nfs/dbraw/zinc/08/44/49/290084449.db2.gz IJGWUARMUKIVII-QWHCGFSZSA-N 0 0 306.366 0.211 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@@H]1C ZINC000333191082 290115507 /nfs/dbraw/zinc/11/55/07/290115507.db2.gz SCSDCGRKQNAAIH-SBJFKYEJSA-N 0 0 316.467 0.892 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131495 290115642 /nfs/dbraw/zinc/11/56/42/290115642.db2.gz HZHFRDMCWHZBKP-RFQIPJPRSA-N 0 0 302.440 0.503 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCSCC[C@@H]2C)cn1 ZINC000190104304 290465268 /nfs/dbraw/zinc/46/52/68/290465268.db2.gz PDTHFEMUKMLVDL-JTQLQIEISA-N 0 0 311.411 0.988 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCCNC1=O ZINC000295843305 293285016 /nfs/dbraw/zinc/28/50/16/293285016.db2.gz WOBHHQKJRGIUJU-QMMMGPOBSA-N 0 0 303.771 0.600 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccn(C)c(=O)c3)[C@@H]2C1 ZINC000127790743 293797060 /nfs/dbraw/zinc/79/70/60/293797060.db2.gz KMJCHZHIOINGAH-MGPQQGTHSA-N 0 0 306.362 0.794 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)C[C@H](C)O1 ZINC000120249694 297049335 /nfs/dbraw/zinc/04/93/35/297049335.db2.gz HAPCLUHGLNQUJH-WUHRBBMRSA-N 0 0 306.428 0.433 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000127206243 294043130 /nfs/dbraw/zinc/04/31/30/294043130.db2.gz MPIJQWQPGLJFCL-AOOOYVTPSA-N 0 0 318.377 1.000 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000408233538 297074574 /nfs/dbraw/zinc/07/45/74/297074574.db2.gz VUBYIGPCFDSHSL-FRRDWIJNSA-N 0 0 311.426 0.598 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000364066208 299862365 /nfs/dbraw/zinc/86/23/65/299862365.db2.gz YCIRGHDXJZDCMF-QWHCGFSZSA-N 0 0 318.439 0.985 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc2ccccc2oc1=O ZINC000091781103 295119753 /nfs/dbraw/zinc/11/97/53/295119753.db2.gz DEDFNGJZOIVQAL-NSHDSACASA-N 0 0 302.286 0.119 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408159678 297198587 /nfs/dbraw/zinc/19/85/87/297198587.db2.gz GRYCOBTZXACPMS-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)N(C)CC(F)(F)F ZINC000192165885 298100828 /nfs/dbraw/zinc/10/08/28/298100828.db2.gz MYXLNUNGMPJFOJ-OPRDCNLKSA-N 0 0 309.332 0.981 10 0 DCAERN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](O)[C@H](O)C1 ZINC000408443580 298139842 /nfs/dbraw/zinc/13/98/42/298139842.db2.gz PZTBRAZQDWFVAL-XTNYEEMMSA-N 0 0 308.422 0.497 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000042747165 300036072 /nfs/dbraw/zinc/03/60/72/300036072.db2.gz PZYMIVMIMOMYSV-CMPLNLGQSA-N 0 0 324.402 0.896 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1Cc1nnnn1CC(F)(F)F ZINC000190863067 300056748 /nfs/dbraw/zinc/05/67/48/300056748.db2.gz GLJPLXHIHGNOGC-YUMQZZPRSA-N 0 0 306.292 0.321 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CCS1(=O)=O ZINC000159173798 300279248 /nfs/dbraw/zinc/27/92/48/300279248.db2.gz DGBGQDOJQOXYGA-NSHDSACASA-N 0 0 324.468 0.615 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000332879039 300380277 /nfs/dbraw/zinc/38/02/77/300380277.db2.gz BRTSETBTBXVQCV-YRRQLQLVSA-N 0 0 316.423 0.628 10 0 DCAERN C[C@]12CCCN1C(=O)N(CC1(S(C)(=O)=O)CCC1)C2=O ZINC000329255283 300868363 /nfs/dbraw/zinc/86/83/63/300868363.db2.gz CPFULJKCZNDFSE-GFCCVEGCSA-N 0 0 300.380 0.770 10 0 DCAERN Cc1c(C(=O)N2[C@H](C)COC[C@@H]2C)cccc1S(N)(=O)=O ZINC000155722832 300937186 /nfs/dbraw/zinc/93/71/86/300937186.db2.gz LJDFYPZYWZLEOF-AOOOYVTPSA-N 0 0 312.391 0.892 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000174288733 301250885 /nfs/dbraw/zinc/25/08/85/301250885.db2.gz MSINXOZRVAAVKT-RBSFLKMASA-N 0 0 308.426 0.974 10 0 DCAERN NC(=O)NC(=O)CCCN1CCN(c2cccs2)C(=O)C1 ZINC000186111154 303266822 /nfs/dbraw/zinc/26/68/22/303266822.db2.gz BHKCOMGPFVKJPC-UHFFFAOYSA-N 0 0 310.379 0.372 10 0 DCAERN NC(=O)NC(=O)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351460 303269919 /nfs/dbraw/zinc/26/99/19/303269919.db2.gz QHEGCFMUCPYEJT-UHFFFAOYSA-N 0 0 307.194 0.998 10 0 DCAERN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000332751343 303942978 /nfs/dbraw/zinc/94/29/78/303942978.db2.gz CCMUSSYZOSRWSR-NOLJZWGESA-N 0 0 307.394 0.866 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC(CO)(c2ccccc2)C1)C(C)C ZINC000571026240 333481114 /nfs/dbraw/zinc/48/11/14/333481114.db2.gz FOAFBWGFSSUWGZ-OAHLLOKOSA-N 0 0 304.390 0.920 10 0 DCAERN CCc1noc(C)c1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000388755041 334265955 /nfs/dbraw/zinc/26/59/55/334265955.db2.gz DMTQPUWMOJGAOT-CQSZACIVSA-N 0 0 306.322 0.360 10 0 DCAERN COCC1(CNC(=O)C2CCN(CC(N)=O)CC2)CCCC1 ZINC000534632949 334308140 /nfs/dbraw/zinc/30/81/40/334308140.db2.gz JWHLHNHHTMIRHH-UHFFFAOYSA-N 0 0 311.426 0.507 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@H](C)CO1 ZINC000582160208 335592288 /nfs/dbraw/zinc/59/22/88/335592288.db2.gz CDKODCQAMHYZKA-GHMZBOCLSA-N 0 0 302.334 0.909 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)c1ccccc1S(C)(=O)=O ZINC000582330879 336924209 /nfs/dbraw/zinc/92/42/09/336924209.db2.gz QMUMXCWOVWRDLN-NSHDSACASA-N 0 0 317.432 0.961 10 0 DCAERN COc1ncccc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000584384752 337233639 /nfs/dbraw/zinc/23/36/39/337233639.db2.gz XLMRKQPSXUFPGS-UHFFFAOYSA-N 0 0 307.350 0.962 10 0 DCAERN COP(=O)(OC)c1ccc(C)c(N(CCO)CCO)c1 ZINC000584650059 337380687 /nfs/dbraw/zinc/38/06/87/337380687.db2.gz QEYBHINCOWSHIH-UHFFFAOYSA-N 0 0 303.295 0.897 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000172427837 341798894 /nfs/dbraw/zinc/79/88/94/341798894.db2.gz MKLATCIWYQSTJM-WPRPVWTQSA-N 0 0 302.334 0.630 10 0 DCAERN Cc1cc(NC(=O)CN(C)Cc2nsc(N(C)C)n2)no1 ZINC000177488270 341920381 /nfs/dbraw/zinc/92/03/81/341920381.db2.gz SEUFKPDOJOYJDO-UHFFFAOYSA-N 0 0 310.383 0.971 10 0 DCAERN NC(=O)c1cnn2c1C[C@@H](CNC(=O)N1CCC13CCC3)CC2 ZINC000577788308 341936852 /nfs/dbraw/zinc/93/68/52/341936852.db2.gz JNVMKDIBRNTHTA-NSHDSACASA-N 0 0 317.393 0.882 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000178947365 341973055 /nfs/dbraw/zinc/97/30/55/341973055.db2.gz XXXWFUDEKBJWLC-NSHDSACASA-N 0 0 314.349 0.470 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000175140081 534221573 /nfs/dbraw/zinc/22/15/73/534221573.db2.gz SGGHVVJIZDULNU-MNOVXSKESA-N 0 0 314.411 0.345 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188791510 534229185 /nfs/dbraw/zinc/22/91/85/534229185.db2.gz XUIDAEISOSAOLQ-ZDUSSCGKSA-N 0 0 322.405 0.771 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C[C@@H](C)O)[C@H](C)CO)cc1C ZINC000189304269 534263977 /nfs/dbraw/zinc/26/39/77/534263977.db2.gz XWQNPDQVPLONAX-ZIAGYGMSSA-N 0 0 322.405 0.623 10 0 DCAERN C[C@H]1CCSCCN1C(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000287623684 518184322 /nfs/dbraw/zinc/18/43/22/518184322.db2.gz FKPJFSWMQVBGQM-WDEREUQCSA-N 0 0 323.422 0.583 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1CCO ZINC000188640962 534347989 /nfs/dbraw/zinc/34/79/89/534347989.db2.gz XAZGWFPKHVXLIM-SNVBAGLBSA-N 0 0 324.356 0.455 10 0 DCAERN CC(=O)c1ccccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266896188 518464294 /nfs/dbraw/zinc/46/42/94/518464294.db2.gz OBJDODRLQFGVFT-LLVKDONJSA-N 0 0 310.375 0.653 10 0 DCAERN CC(=O)c1csc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000132506521 518488658 /nfs/dbraw/zinc/48/86/58/518488658.db2.gz SXMXOOWBNJMTLE-GFCCVEGCSA-N 0 0 312.391 0.374 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 ZINC000188445969 519488623 /nfs/dbraw/zinc/48/86/23/519488623.db2.gz TWBLXYZNSBJJKE-UHFFFAOYSA-N 0 0 304.394 0.907 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000191478627 519647321 /nfs/dbraw/zinc/64/73/21/519647321.db2.gz BTRCNJFMKNGVJP-UHFFFAOYSA-N 0 0 303.362 0.082 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000126648523 520052962 /nfs/dbraw/zinc/05/29/62/520052962.db2.gz BJBUNQCLTJSKIH-NSHDSACASA-N 0 0 318.395 0.721 10 0 DCAERN CCNc1ncc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000129124406 520364013 /nfs/dbraw/zinc/36/40/13/520364013.db2.gz ACXBPYJPEDBQAP-QMMMGPOBSA-N 0 0 303.409 0.834 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000189666935 520431919 /nfs/dbraw/zinc/43/19/19/520431919.db2.gz SKGQGPSXDCRZBI-VXGBXAGGSA-N 0 0 304.346 0.895 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000247498607 520529061 /nfs/dbraw/zinc/52/90/61/520529061.db2.gz NEAJHYQJVPULDX-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN CCOC(=O)C[C@@H](C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000153863330 520818553 /nfs/dbraw/zinc/81/85/53/520818553.db2.gz IBHKLLLCDRUMMU-MNOVXSKESA-N 0 0 309.370 0.481 10 0 DCAERN CCN(CCc1nccs1)CC(=O)NCC(=O)N1CCCC1 ZINC000159299810 521181930 /nfs/dbraw/zinc/18/19/30/521181930.db2.gz HMFKMEPBDXOVJK-UHFFFAOYSA-N 0 0 324.450 0.746 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CC(NC(C)=O)C2)s1 ZINC000190861609 521448687 /nfs/dbraw/zinc/44/86/87/521448687.db2.gz HJLNBYPRIKLPNQ-UHFFFAOYSA-N 0 0 310.379 0.381 10 0 DCAERN CCS(=O)(=O)c1cccc(CC(=O)N2CCNC(=O)CC2)c1 ZINC000124545754 521691979 /nfs/dbraw/zinc/69/19/79/521691979.db2.gz UPOJTLCMHMNUBA-UHFFFAOYSA-N 0 0 324.402 0.371 10 0 DCAERN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)[C@@H](C)C1 ZINC000267589326 521719026 /nfs/dbraw/zinc/71/90/26/521719026.db2.gz KPHPKXHNAUTVAX-JQWIXIFHSA-N 0 0 308.382 0.288 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC([C@@H]3CCOC3)C2)C1 ZINC000366392060 521740091 /nfs/dbraw/zinc/74/00/91/521740091.db2.gz PVGHNBHRZZNMDH-DGCLKSJQSA-N 0 0 310.398 0.468 10 0 DCAERN CCNC(=O)c1ccc(CNC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000189791717 521747550 /nfs/dbraw/zinc/74/75/50/521747550.db2.gz AIFGQAARRKDQSM-UHFFFAOYSA-N 0 0 318.377 0.466 10 0 DCAERN CNC(=O)c1ccc(NCCN2C(=O)Cc3ccccc32)nn1 ZINC000266807872 521848782 /nfs/dbraw/zinc/84/87/82/521848782.db2.gz FEOLQGUUXLJMDA-UHFFFAOYSA-N 0 0 311.345 0.837 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCC[C@H](C)O)cc1 ZINC000228068120 521859562 /nfs/dbraw/zinc/85/95/62/521859562.db2.gz XLAJFZGNWWQZRR-JTQLQIEISA-N 0 0 300.380 0.486 10 0 DCAERN CC[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878633 521886477 /nfs/dbraw/zinc/88/64/77/521886477.db2.gz ORUSGYFYPDXNEK-MNOVXSKESA-N 0 0 306.428 0.730 10 0 DCAERN CN(CC(=O)N1CCC(c2ccnn2C)CC1)S(C)(=O)=O ZINC000124237921 522429522 /nfs/dbraw/zinc/42/95/22/522429522.db2.gz YDDVTMITXPRFSY-UHFFFAOYSA-N 0 0 314.411 0.018 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000153586096 522511636 /nfs/dbraw/zinc/51/16/36/522511636.db2.gz KUXMMHAQPYUEQU-JTQLQIEISA-N 0 0 316.365 0.806 10 0 DCAERN COC[C@H](NC(=O)N1CCN(c2cccnn2)CC1)C1CC1 ZINC000126546972 522708965 /nfs/dbraw/zinc/70/89/65/522708965.db2.gz RCOFCAHVAOQFRT-ZDUSSCGKSA-N 0 0 305.382 0.733 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 ZINC000185605209 522758414 /nfs/dbraw/zinc/75/84/14/522758414.db2.gz IIVZNUZKACNQIQ-VIFPVBQESA-N 0 0 312.395 0.669 10 0 DCAERN COCc1cc(N[C@H](C)[C@H]2CN(C)CCO2)n2ncnc2n1 ZINC000154807900 522935166 /nfs/dbraw/zinc/93/51/66/522935166.db2.gz VRYVUEAMWBMFQK-ZYHUDNBSSA-N 0 0 306.370 0.402 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@@H]1CO ZINC000153862276 534688942 /nfs/dbraw/zinc/68/89/42/534688942.db2.gz IUUOGUSCFFZSHN-SNVBAGLBSA-N 0 0 307.741 0.913 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000132302808 523252359 /nfs/dbraw/zinc/25/23/59/523252359.db2.gz HXAYSMSLUTYERM-BXUZGUMPSA-N 0 0 323.393 0.927 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000132820445 523316374 /nfs/dbraw/zinc/31/63/74/523316374.db2.gz ZQVIQNXYYVKBAY-QWHCGFSZSA-N 0 0 309.366 0.618 10 0 DCAERN COC(=O)C[C@H](NC(=O)C(=O)NCC1CC1)c1ccccc1 ZINC000191682636 523331254 /nfs/dbraw/zinc/33/12/54/523331254.db2.gz OLUCFYOQDVNYML-ZDUSSCGKSA-N 0 0 304.346 0.933 10 0 DCAERN COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n[n-]1 ZINC000246454322 523379538 /nfs/dbraw/zinc/37/95/38/523379538.db2.gz BZZVYDAFUUTJDC-AEJSXWLSSA-N 0 0 307.354 0.379 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]1Cn1ccnn1 ZINC000299746034 534721073 /nfs/dbraw/zinc/72/10/73/534721073.db2.gz UVGPMHHBJXZBJY-NSHDSACASA-N 0 0 312.333 0.753 10 0 DCAERN COCCN(CCOC)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000157758419 523713960 /nfs/dbraw/zinc/71/39/60/523713960.db2.gz KHVGBBAYPOGDRJ-UHFFFAOYSA-N 0 0 322.365 0.963 10 0 DCAERN CN1CCCN(C(=O)CN2CCOCC2=O)c2ccc(F)cc21 ZINC000366151439 523802688 /nfs/dbraw/zinc/80/26/88/523802688.db2.gz KURJVTHGLINOBU-UHFFFAOYSA-N 0 0 321.352 0.857 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C[C@@H]1CCCC(=O)N1 ZINC000366020701 523811996 /nfs/dbraw/zinc/81/19/96/523811996.db2.gz WKCQTSZQLNPKRN-OHTBPHCPSA-N 0 0 308.378 0.845 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)CCc1ccnn1C ZINC000130799823 523915743 /nfs/dbraw/zinc/91/57/43/523915743.db2.gz JRGHYWZMIVEVHM-AWEZNQCLSA-N 0 0 324.425 0.646 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)CNC(=O)c1cccnc1 ZINC000154833259 523965088 /nfs/dbraw/zinc/96/50/88/523965088.db2.gz HPVBXDZBXHXNQI-NSHDSACASA-N 0 0 306.366 0.232 10 0 DCAERN CN1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000111575839 523979155 /nfs/dbraw/zinc/97/91/55/523979155.db2.gz ALCXYMNSADRACZ-LLVKDONJSA-N 0 0 316.361 0.278 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCC1=O ZINC000162887878 524024127 /nfs/dbraw/zinc/02/41/27/524024127.db2.gz ZKXCOYOFFUQGOF-OSAQELSMSA-N 0 0 303.362 0.565 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000131546102 524075174 /nfs/dbraw/zinc/07/51/74/524075174.db2.gz KTLHAWCZPBAXJL-NEPJUHHUSA-N 0 0 308.378 0.487 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000166718387 524082106 /nfs/dbraw/zinc/08/21/06/524082106.db2.gz VTDWDCZILRWSCF-JTQLQIEISA-N 0 0 324.768 0.719 10 0 DCAERN C[C@H](CN1CCNC(=O)[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000246432131 524344492 /nfs/dbraw/zinc/34/44/92/524344492.db2.gz CSMLISYYEFHKFB-TZMCWYRMSA-N 0 0 310.419 0.840 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCc1noc(C)n1 ZINC000154947117 524350481 /nfs/dbraw/zinc/35/04/81/524350481.db2.gz DQRINKQHPKBZAV-UHFFFAOYSA-N 0 0 304.306 0.433 10 0 DCAERN COc1ccccc1CN(CC(=O)N(C)C)CC(=O)N(C)C ZINC000119722736 524437011 /nfs/dbraw/zinc/43/70/11/524437011.db2.gz FISPONDVTFUUEN-UHFFFAOYSA-N 0 0 307.394 0.674 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)NC(N)=O)C1 ZINC000156953869 524575661 /nfs/dbraw/zinc/57/56/61/524575661.db2.gz PUCVIEIIVPSBFB-MNOVXSKESA-N 0 0 306.366 0.447 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H](C)C1 ZINC000429856089 534798881 /nfs/dbraw/zinc/79/88/81/534798881.db2.gz XCFMRTFGDGXBGH-QMMMGPOBSA-N 0 0 320.802 0.315 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000127978166 524808719 /nfs/dbraw/zinc/80/87/19/524808719.db2.gz RDFKZPOTYFXBKE-WDEREUQCSA-N 0 0 317.349 0.339 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000158772455 524880114 /nfs/dbraw/zinc/88/01/14/524880114.db2.gz BTWGSKOYQKTJSD-ZJUUUORDSA-N 0 0 303.380 0.999 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)nc1 ZINC000157851831 524940572 /nfs/dbraw/zinc/94/05/72/524940572.db2.gz BIEUZTWNIFFIII-GFCCVEGCSA-N 0 0 302.378 0.611 10 0 DCAERN Cc1ccccc1CNC(=O)[C@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249584164 525161576 /nfs/dbraw/zinc/16/15/76/525161576.db2.gz SIDPHEBNRAZXBK-HOTGVXAUSA-N 0 0 319.449 0.998 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCCO1 ZINC000158858746 525511104 /nfs/dbraw/zinc/51/11/04/525511104.db2.gz DLRTVNUJKSKKJC-VIFPVBQESA-N 0 0 302.327 0.656 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)CCC(=O)N1CCOCC1 ZINC000131082411 525612149 /nfs/dbraw/zinc/61/21/49/525612149.db2.gz NMRMTVILOHGXJI-UHFFFAOYSA-N 0 0 317.349 0.615 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000155359182 525770449 /nfs/dbraw/zinc/77/04/49/525770449.db2.gz JFMUXFMLKSZALU-SMDDNHRTSA-N 0 0 321.406 0.861 10 0 DCAERN C[C@H](C(=O)NCC1(C)COC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000246570390 526039814 /nfs/dbraw/zinc/03/98/14/526039814.db2.gz MEEWSIYNUWKRLR-IJLUTSLNSA-N 0 0 308.378 0.703 10 0 DCAERN O=C(NCCOCC(F)F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000190283041 526350625 /nfs/dbraw/zinc/35/06/25/526350625.db2.gz JCLUNSXJNFPPCT-LLVKDONJSA-N 0 0 318.324 0.575 10 0 DCAERN O=C(NCCc1ccc(Cl)cc1)C1CC2(C1)NC(=O)NC2=O ZINC000154559255 526402477 /nfs/dbraw/zinc/40/24/77/526402477.db2.gz XFTYWNBSTAENQW-UHFFFAOYSA-N 0 0 321.764 0.987 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H](F)C[C@@H]1CO ZINC000364601068 526524395 /nfs/dbraw/zinc/52/43/95/526524395.db2.gz CNOJXAQOBJOLJP-SDDRHHMPSA-N 0 0 310.325 0.559 10 0 DCAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCO[C@@H](CO)C1 ZINC000269165026 526631615 /nfs/dbraw/zinc/63/16/15/526631615.db2.gz FBFIMCIOFQARDG-SNVBAGLBSA-N 0 0 308.309 0.544 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000154118207 526667691 /nfs/dbraw/zinc/66/76/91/526667691.db2.gz ZBPTTWBVUKLHBK-NSHDSACASA-N 0 0 300.384 0.363 10 0 DCAERN Cc1oc(C(=O)N(C)[C@@H]2CCOC2)cc1S(=O)(=O)N(C)C ZINC000267850667 526758035 /nfs/dbraw/zinc/75/80/35/526758035.db2.gz LHMKFIDEGVRHBT-SNVBAGLBSA-N 0 0 316.379 0.699 10 0 DCAERN O=C(c1ccccn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119874699 526815720 /nfs/dbraw/zinc/81/57/20/526815720.db2.gz IAIOMGJBBBRWLE-GFCCVEGCSA-N 0 0 309.391 0.722 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000158477126 526888275 /nfs/dbraw/zinc/88/82/75/526888275.db2.gz PWHAWOVANDSHOU-VIFPVBQESA-N 0 0 306.240 0.204 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673311 526925328 /nfs/dbraw/zinc/92/53/28/526925328.db2.gz ZVEHRZCECAKPMS-NSHDSACASA-N 0 0 307.325 0.915 10 0 DCAERN Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[nH]1 ZINC000156721660 526990008 /nfs/dbraw/zinc/99/00/08/526990008.db2.gz HJPKFSGTVMOEFD-JQWIXIFHSA-N 0 0 300.322 0.666 10 0 DCAERN Cn1c(SC[C@@H](O)C(F)(F)F)nnc1N1CCOCC1 ZINC000158125451 527086471 /nfs/dbraw/zinc/08/64/71/527086471.db2.gz HBLYZQISCOBKSC-SSDOTTSWSA-N 0 0 312.317 0.667 10 0 DCAERN Cn1c(SC[C@H](O)C(F)(F)F)nnc1N1CCOCC1 ZINC000158125314 527086528 /nfs/dbraw/zinc/08/65/28/527086528.db2.gz HBLYZQISCOBKSC-ZETCQYMHSA-N 0 0 312.317 0.667 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1C ZINC000152504367 527164132 /nfs/dbraw/zinc/16/41/32/527164132.db2.gz GVMMBDTULMQIER-CHWSQXEVSA-N 0 0 305.378 0.989 10 0 DCAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCNC(=O)CC1 ZINC000133749895 527184851 /nfs/dbraw/zinc/18/48/51/527184851.db2.gz ONAFANFROLGUSB-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000163566283 527218372 /nfs/dbraw/zinc/21/83/72/527218372.db2.gz CAOBUOLRGLULFU-NSHDSACASA-N 0 0 321.230 0.685 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191473297 527485918 /nfs/dbraw/zinc/48/59/18/527485918.db2.gz CEXSXUVWAYMUAY-ZDUSSCGKSA-N 0 0 319.336 0.321 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCCn3ncnc32)C1)C1CC1 ZINC000187481198 527542255 /nfs/dbraw/zinc/54/22/55/527542255.db2.gz AFPHXBPTLBTAKE-LLVKDONJSA-N 0 0 304.354 0.033 10 0 DCAERN O=C(NC1CN(C[C@H](O)COCc2cccs2)C1)C1CC1 ZINC000187982669 527543746 /nfs/dbraw/zinc/54/37/46/527543746.db2.gz CPPVTZOMJHRECL-ZDUSSCGKSA-N 0 0 310.419 0.836 10 0 DCAERN O=C(NCC(F)(F)CO)C(=O)Nc1cccc2c1OCCC2 ZINC000364941511 527548416 /nfs/dbraw/zinc/54/84/16/527548416.db2.gz PJDLXWHDARQTKQ-UHFFFAOYSA-N 0 0 314.288 0.694 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000228062367 527571868 /nfs/dbraw/zinc/57/18/68/527571868.db2.gz KZLAYOWAEIDGNL-YFKPBYRVSA-N 0 0 307.681 0.275 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000176431055 528396675 /nfs/dbraw/zinc/39/66/75/528396675.db2.gz GXDPZYJFEKXDRZ-WDEREUQCSA-N 0 0 316.427 0.495 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1Cc1csc(CC(=O)NC)n1 ZINC000187299021 528493423 /nfs/dbraw/zinc/49/34/23/528493423.db2.gz AXZUXDKNHWSFKA-OAHLLOKOSA-N 0 0 324.450 0.922 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)Nc1ccccc1N ZINC000262518650 528854434 /nfs/dbraw/zinc/85/44/34/528854434.db2.gz WBNQIXNFNFBGKH-UHFFFAOYSA-N 0 0 301.368 0.163 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000182407633 529229374 /nfs/dbraw/zinc/22/93/74/529229374.db2.gz DUULNWOFCZMFBH-KGLIPLIRSA-N 0 0 320.455 0.274 10 0 DCAERN Cc1cc(NC[C@H](C)S(N)(=O)=O)ncc1Br ZINC000381041068 546215463 /nfs/dbraw/zinc/21/54/63/546215463.db2.gz CGINZVLEXHPXGD-ZETCQYMHSA-N 0 0 308.201 0.663 10 0 DCAERN [NH3+][C@](Cn1cc(I)cn1)(C(=O)[O-])C1CC1 ZINC000070678534 545660803 /nfs/dbraw/zinc/66/08/03/545660803.db2.gz SRTUBZQCYUYTMM-VIFPVBQESA-N 0 0 321.118 0.680 10 0 DCAERN C[C@@H](C(=O)N1CCC(=O)CC1)N1C(=O)c2ccccc2C1=O ZINC000074374579 545669628 /nfs/dbraw/zinc/66/96/28/545669628.db2.gz RBNYIDSXXCDVEB-JTQLQIEISA-N 0 0 300.314 0.863 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CC=CC2)CC1 ZINC000076997051 545679110 /nfs/dbraw/zinc/67/91/10/545679110.db2.gz OWSHJLNESYWNIS-CQSZACIVSA-N 0 0 321.421 0.344 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N[C@H]1CCc2ncnn2C1 ZINC000120586935 545743992 /nfs/dbraw/zinc/74/39/92/545743992.db2.gz FMLLGOJDIXGFLS-QWRGUYRKSA-N 0 0 300.384 0.081 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2c(C)oc3ncn(C)c(=O)c32)C1 ZINC000121382138 545748463 /nfs/dbraw/zinc/74/84/63/545748463.db2.gz UQBNFWYBHMOIKB-UHFFFAOYSA-N 0 0 318.333 0.043 10 0 DCAERN CCNC(=O)C1CN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000121614603 545750439 /nfs/dbraw/zinc/75/04/39/545750439.db2.gz ADDQMOBZLHHONK-UHFFFAOYSA-N 0 0 304.346 0.595 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1CCNC(=O)C1 ZINC000123678091 545755650 /nfs/dbraw/zinc/75/56/50/545755650.db2.gz ZJOXNWRYMQNBMO-LLVKDONJSA-N 0 0 322.434 0.928 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCN(Cc2cncnc2)CC1 ZINC000131487931 545790907 /nfs/dbraw/zinc/79/09/07/545790907.db2.gz FTSSAZNTQJFBHC-CQSZACIVSA-N 0 0 321.425 0.135 10 0 DCAERN CCc1cc(C(=O)NC[C@H](O)CN2CCOCC2)oc1CC ZINC000132370883 545792507 /nfs/dbraw/zinc/79/25/07/545792507.db2.gz YKYGUDVFNNQSJB-ZDUSSCGKSA-N 0 0 310.394 0.827 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NC2(CO)CC2)c(F)c1 ZINC000143169654 545809798 /nfs/dbraw/zinc/80/97/98/545809798.db2.gz GNDPUMBSSYFDCU-UHFFFAOYSA-N 0 0 302.327 0.587 10 0 DCAERN O=C1CCCN1CCCNS(=O)(=O)CC[C@H]1CCCO1 ZINC000154363019 545838188 /nfs/dbraw/zinc/83/81/88/545838188.db2.gz LOGHKQHIUFHZJO-GFCCVEGCSA-N 0 0 304.412 0.487 10 0 DCAERN Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471371 545876323 /nfs/dbraw/zinc/87/63/23/545876323.db2.gz IQEPDSFMYBXOBT-QWRGUYRKSA-N 0 0 302.378 0.703 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000173934945 545884342 /nfs/dbraw/zinc/88/43/42/545884342.db2.gz WCZKLIUBCRZDHD-CYBMUJFWSA-N 0 0 307.398 0.074 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000173998775 545884714 /nfs/dbraw/zinc/88/47/14/545884714.db2.gz ARFKMILWNNUNRF-KBPBESRZSA-N 0 0 318.439 0.292 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)c1cccs1 ZINC000179240077 545897651 /nfs/dbraw/zinc/89/76/51/545897651.db2.gz RROWVQMGVDKETN-JTQLQIEISA-N 0 0 324.406 0.398 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1S(N)(=O)=O ZINC000179426609 545899236 /nfs/dbraw/zinc/89/92/36/545899236.db2.gz GXUXGVMHBARTQY-UWVGGRQHSA-N 0 0 300.380 0.389 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179969322 545900525 /nfs/dbraw/zinc/90/05/25/545900525.db2.gz ZHUBUZWCFYVCQA-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(C)C ZINC000183173113 545907460 /nfs/dbraw/zinc/90/74/60/545907460.db2.gz IRPJQQMXPLMPCR-OAHLLOKOSA-N 0 0 303.362 0.611 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000183530249 545908454 /nfs/dbraw/zinc/90/84/54/545908454.db2.gz KRQKKVPCAWZQPH-MRVPVSSYSA-N 0 0 317.139 0.629 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185034093 545911886 /nfs/dbraw/zinc/91/18/86/545911886.db2.gz KGPUJASZHNBARX-STQMWFEESA-N 0 0 307.394 0.228 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cn3ccnc3s2)O1 ZINC000188758887 545918219 /nfs/dbraw/zinc/91/82/19/545918219.db2.gz KVBAUZGWSVCJOR-UWVGGRQHSA-N 0 0 322.390 0.761 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000191044301 545925050 /nfs/dbraw/zinc/92/50/50/545925050.db2.gz QMBLKOJSBNKYPE-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN O=C1NC(=O)[C@]2(CCCN(Cc3nc(-c4ccoc4)no3)C2)N1 ZINC000192658763 545927918 /nfs/dbraw/zinc/92/79/18/545927918.db2.gz KKHYFOFOXWRWQX-CQSZACIVSA-N 0 0 317.305 0.504 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246286096 545964342 /nfs/dbraw/zinc/96/43/42/545964342.db2.gz BYLJXELXDCFFGZ-QWHCGFSZSA-N 0 0 304.412 0.486 10 0 DCAERN CC[C@]1(C)CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000248994306 545970026 /nfs/dbraw/zinc/97/00/26/545970026.db2.gz XSJVFBODXLEUAS-MLGOLLRUSA-N 0 0 311.426 0.613 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(C3CC3)nc2N)CCS1(=O)=O ZINC000329276187 546045619 /nfs/dbraw/zinc/04/56/19/546045619.db2.gz KHGFCPMNRDUMQH-QMMMGPOBSA-N 0 0 310.379 0.195 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1CCOC1 ZINC000333060206 546070951 /nfs/dbraw/zinc/07/09/51/546070951.db2.gz AZYXKOKZRPACPR-GMXVVIOVSA-N 0 0 315.395 0.206 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCN(C(=O)C4CC4)C3)C2=O)cn1 ZINC000333133253 546072401 /nfs/dbraw/zinc/07/24/01/546072401.db2.gz BFCBJBGSUCYECE-ZDUSSCGKSA-N 0 0 303.366 0.037 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCO1 ZINC000333608527 546086924 /nfs/dbraw/zinc/08/69/24/546086924.db2.gz ROGGBJBLUZXKPR-MYZSUADSSA-N 0 0 323.393 0.496 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401914582 546226560 /nfs/dbraw/zinc/22/65/60/546226560.db2.gz ZRSDEJLSAIKQNN-LBPRGKRZSA-N 0 0 304.343 0.383 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc2nnnn2c1 ZINC000532672082 546289412 /nfs/dbraw/zinc/28/94/12/546289412.db2.gz DBGDHOLIERQXIN-UHFFFAOYSA-N 0 0 321.304 0.481 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc3cccnc3[nH]2)C[C@H]1c1cn[nH]n1 ZINC000622164841 546322736 /nfs/dbraw/zinc/32/27/36/546322736.db2.gz DGKXQOGFENREKQ-GXFFZTMASA-N 0 0 312.333 0.936 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Nc2cc(C)nnc2N(C)C)C1 ZINC000667479598 546610143 /nfs/dbraw/zinc/61/01/43/546610143.db2.gz KMSJGHVNHGAODX-WDEREUQCSA-N 0 0 309.370 0.465 10 0 DCAERN CN1[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256650 548748812 /nfs/dbraw/zinc/74/88/12/548748812.db2.gz ZVHTYKVZQBHOSN-ZDUSSCGKSA-N 0 0 318.395 0.600 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCCC(F)(F)CC1 ZINC000705689722 667362807 /nfs/dbraw/zinc/36/28/07/667362807.db2.gz CSEXSVATLAQTOD-JTQLQIEISA-N 0 0 310.366 0.411 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000248615275 660628202 /nfs/dbraw/zinc/62/82/02/660628202.db2.gz ZEQQVWXCKSZZEA-SRVKXCTJSA-N 0 0 312.391 0.244 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccnn2C)cn1 ZINC000888093539 661158676 /nfs/dbraw/zinc/15/86/76/661158676.db2.gz DLXBCUOPQXCRON-UONOGXRCSA-N 0 0 319.365 0.142 10 0 DCAERN CC(C)COc1ccc(S(=O)(=O)N[C@H]2CNOC2)cc1 ZINC000722502353 661283016 /nfs/dbraw/zinc/28/30/16/661283016.db2.gz XGCJDKYZQKDCIC-NSHDSACASA-N 0 0 300.380 0.903 10 0 DCAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721534956 657573692 /nfs/dbraw/zinc/57/36/92/657573692.db2.gz CPFJKLSSOWVOAN-LMLFDSFASA-N 0 0 304.412 0.373 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CC[C@@H]2CCCCO2)CCC1 ZINC000721536954 657602065 /nfs/dbraw/zinc/60/20/65/657602065.db2.gz ZQXCMANNFFEOCE-NSHDSACASA-N 0 0 304.412 0.663 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](O)c1cccc(F)c1 ZINC000160337240 657716350 /nfs/dbraw/zinc/71/63/50/657716350.db2.gz XHCMLVIYTPIWPK-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN CCc1ccc(CNC(=O)C[C@H]2CNCCS2(=O)=O)s1 ZINC000725025179 658028936 /nfs/dbraw/zinc/02/89/36/658028936.db2.gz UNFIYBVCMUSKAJ-LBPRGKRZSA-N 0 0 316.448 0.703 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@@H]1C ZINC000249147181 658073461 /nfs/dbraw/zinc/07/34/61/658073461.db2.gz GOIFLOMPCNRVJW-GMXVVIOVSA-N 0 0 306.366 0.646 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000725113107 658145239 /nfs/dbraw/zinc/14/52/39/658145239.db2.gz VOIXGHYOJPPHMY-GHMZBOCLSA-N 0 0 305.421 0.729 10 0 DCAERN COc1ccccc1C/C(C)=C\C(=O)N1CCOC[C@@H]1C(N)=O ZINC000255465132 658185930 /nfs/dbraw/zinc/18/59/30/658185930.db2.gz XDVOEZJMJIZBDT-GAJOTYCWSA-N 0 0 318.373 0.897 10 0 DCAERN COCc1nn(CN2CCc3c(nc(C(C)C)n3C)C2)c(=O)o1 ZINC000119738761 658240419 /nfs/dbraw/zinc/24/04/19/658240419.db2.gz OVXSKMIKGLMHRR-UHFFFAOYSA-N 0 0 321.381 0.855 10 0 DCAERN C[C@H](O)C(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255624635 658390189 /nfs/dbraw/zinc/39/01/89/658390189.db2.gz WYJHNCSXAAGAMS-OTAKNEKHSA-N 0 0 324.402 0.512 10 0 DCAERN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)nc1 ZINC000724549117 658449139 /nfs/dbraw/zinc/44/91/39/658449139.db2.gz YGSNHTFDLNXJSC-YWVKMMECSA-N 0 0 318.782 0.817 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)O1 ZINC000188262897 658490686 /nfs/dbraw/zinc/49/06/86/658490686.db2.gz LENDIHHPERTSAP-UPJWGTAASA-N 0 0 307.350 0.595 10 0 DCAERN CCCCNC(=O)[C@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000050901487 658501177 /nfs/dbraw/zinc/50/11/77/658501177.db2.gz DWYKNVJLUYYMCN-LBPRGKRZSA-N 0 0 323.397 0.651 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCS(=O)CC1 ZINC000255053135 658544814 /nfs/dbraw/zinc/54/48/14/658544814.db2.gz ADHHQDDEBROTNL-NSHDSACASA-N 0 0 310.423 0.279 10 0 DCAERN C[C@@H](O)CN(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000051838247 658581013 /nfs/dbraw/zinc/58/10/13/658581013.db2.gz SPTZMVWEMGVHPL-MRVPVSSYSA-N 0 0 303.771 0.989 10 0 DCAERN COC(=O)C(=CC(C)=Cc1cc(C(=O)OC)nc(=O)[nH]1)OC ZINC000096458297 658609577 /nfs/dbraw/zinc/60/95/77/658609577.db2.gz RRUZJNKZGBWDJR-IGJCCDITSA-N 0 0 308.290 0.663 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2ccc(Cl)nc2)CC1=O ZINC000723350473 658642061 /nfs/dbraw/zinc/64/20/61/658642061.db2.gz CENAINKXTOKONJ-SECBINFHSA-N 0 0 317.798 0.882 10 0 DCAERN COC(=O)c1nc(C(=O)NC[C@@]2(OC)CCOC2)cs1 ZINC000721424744 658674835 /nfs/dbraw/zinc/67/48/35/658674835.db2.gz XVFUTYRGFDXNKZ-LBPRGKRZSA-N 0 0 300.336 0.465 10 0 DCAERN CCc1nnc(CN2CCN(C3=NC[C@@H](C)S3)CC2)n1C ZINC000175801524 658707930 /nfs/dbraw/zinc/70/79/30/658707930.db2.gz XKGUODHOPUYOOS-LLVKDONJSA-N 0 0 308.455 0.986 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2cnn(C)c2C)C1=O ZINC000888076390 658713026 /nfs/dbraw/zinc/71/30/26/658713026.db2.gz DRYFWXXOYGDOBD-ZDUSSCGKSA-N 0 0 308.382 0.372 10 0 DCAERN COc1ccncc1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000888077566 658720387 /nfs/dbraw/zinc/72/03/87/658720387.db2.gz IZGDBSMHIFXMOX-MRXNPFEDSA-N 0 0 317.393 0.788 10 0 DCAERN CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)C1(C)C ZINC000888078747 658724603 /nfs/dbraw/zinc/72/46/03/658724603.db2.gz SUOOFQNSBGVABW-RGCMKSIDSA-N 0 0 324.421 0.813 10 0 DCAERN CCn1ccnc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888078260 658726572 /nfs/dbraw/zinc/72/65/72/658726572.db2.gz DUZSRGGKWHDALK-NWDGAFQWSA-N 0 0 305.338 0.213 10 0 DCAERN CS(=O)(=O)c1ccc(CNC(=O)C[C@H](N)C(F)F)cc1 ZINC000724716866 658923119 /nfs/dbraw/zinc/92/31/19/658923119.db2.gz RVWUBQVCQBWVCJ-JTQLQIEISA-N 0 0 306.334 0.689 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccnc1Cl ZINC000163732053 659091105 /nfs/dbraw/zinc/09/11/05/659091105.db2.gz OQDUGARWXWWFDJ-DTWKUNHWSA-N 0 0 324.768 0.786 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000310132968 659280065 /nfs/dbraw/zinc/28/00/65/659280065.db2.gz LCCDDADULRGVIQ-BQBZGAKWSA-N 0 0 303.160 0.611 10 0 DCAERN CCN1CCCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1=O ZINC000189214364 659358806 /nfs/dbraw/zinc/35/88/06/659358806.db2.gz HUAXFIIQQRBRTD-STQMWFEESA-N 0 0 305.378 0.449 10 0 DCAERN C[C@H](Cn1cccn1)OC(=O)[C@H]1COCCN1CC(F)F ZINC000194966375 659525223 /nfs/dbraw/zinc/52/52/23/659525223.db2.gz SVBXLZLGTCHESK-GHMZBOCLSA-N 0 0 303.309 0.781 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000095016485 661317624 /nfs/dbraw/zinc/31/76/24/661317624.db2.gz MCFIXYFCPNNUQG-SDDRHHMPSA-N 0 0 304.412 0.847 10 0 DCAERN O=C(c1ccnc(Br)c1)N1CCOC[C@H]1CO ZINC000236516184 661372312 /nfs/dbraw/zinc/37/23/12/661372312.db2.gz IJHZLBFNNYWYOS-SECBINFHSA-N 0 0 301.140 0.677 10 0 DCAERN O=C(c1ccnc(Br)c1)N1CCOC[C@@H]1CO ZINC000236498635 661372342 /nfs/dbraw/zinc/37/23/42/661372342.db2.gz IJHZLBFNNYWYOS-VIFPVBQESA-N 0 0 301.140 0.677 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(C)C ZINC000178715401 661500490 /nfs/dbraw/zinc/50/04/90/661500490.db2.gz HYFMEWQZADUYQV-CHWSQXEVSA-N 0 0 304.346 0.655 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCc2ccccc2)c(=O)n(C)c1=O ZINC000054148675 661661215 /nfs/dbraw/zinc/66/12/15/661661215.db2.gz MLHVNOCTJBYSLS-HJWRWDBZSA-N 0 0 314.341 0.883 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000215094895 661777222 /nfs/dbraw/zinc/77/72/22/661777222.db2.gz WIOLUGYFXLBSIQ-GHMZBOCLSA-N 0 0 301.412 0.682 10 0 DCAERN C[C@H](NC(=S)NCC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000727084302 662134365 /nfs/dbraw/zinc/13/43/65/662134365.db2.gz KERVTWKRCCJFFN-JTQLQIEISA-N 0 0 320.418 0.824 10 0 DCAERN CSc1ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000727229956 662147039 /nfs/dbraw/zinc/14/70/39/662147039.db2.gz JLLMJLKPQYFSJH-ZETCQYMHSA-N 0 0 323.296 0.781 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccn2nnnc12 ZINC000896830833 662321508 /nfs/dbraw/zinc/32/15/08/662321508.db2.gz JEHIHKHJMRWUTJ-VIFPVBQESA-N 0 0 305.338 0.927 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000728073421 662341556 /nfs/dbraw/zinc/34/15/56/662341556.db2.gz UDICXCRVXOGKPX-RYUDHWBXSA-N 0 0 314.407 0.519 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000179080339 662450326 /nfs/dbraw/zinc/45/03/26/662450326.db2.gz UOCAQKPKXUEZLW-JTQLQIEISA-N 0 0 312.757 0.560 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)OC[C@H]1COCCO1 ZINC000729100531 662632842 /nfs/dbraw/zinc/63/28/42/662632842.db2.gz FNXGHWSJLSWGRJ-HIFRSBDPSA-N 0 0 305.330 0.923 10 0 DCAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cccn2nnnc12 ZINC000897473049 662769662 /nfs/dbraw/zinc/76/96/62/662769662.db2.gz QJUWFBQDLXRKHP-NSHDSACASA-N 0 0 311.349 0.655 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C ZINC000729544379 662902379 /nfs/dbraw/zinc/90/23/79/662902379.db2.gz NPSBDYVUNRNPNP-KOLCDFICSA-N 0 0 313.354 0.163 10 0 DCAERN C[C@@H](O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000344896983 663079931 /nfs/dbraw/zinc/07/99/31/663079931.db2.gz FAQXOZBMXZQCMX-NXEZZACHSA-N 0 0 301.364 0.896 10 0 DCAERN Nc1nc(N)nc(COC(=O)c2coc(Br)c2)n1 ZINC000030874202 663099100 /nfs/dbraw/zinc/09/91/00/663099100.db2.gz JKWNVOSOLLCHLQ-UHFFFAOYSA-N 0 0 314.099 0.749 10 0 DCAERN Cn1c(Cl)cnc1CS(=O)(=O)CC(=O)NC(C)(C)C ZINC000078309519 663117384 /nfs/dbraw/zinc/11/73/84/663117384.db2.gz ATUTVLQXJYOFOK-UHFFFAOYSA-N 0 0 307.803 0.903 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CCO)Cc1cccnc1 ZINC000434913552 663118044 /nfs/dbraw/zinc/11/80/44/663118044.db2.gz NHTWRZIPDJRZDM-ZDUSSCGKSA-N 0 0 309.391 0.324 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCCC(=O)Nc2ccncc2)[nH]1 ZINC000435684708 663297133 /nfs/dbraw/zinc/29/71/33/663297133.db2.gz UQALEBHDEIESHH-UHFFFAOYSA-N 0 0 324.344 0.842 10 0 DCAERN COC(=O)[C@]1(NC(=O)c2ccnc3[nH]c(C)nc32)CCOC1 ZINC000436173995 663432012 /nfs/dbraw/zinc/43/20/12/663432012.db2.gz IEQMEIJNMURZHG-AWEZNQCLSA-N 0 0 304.306 0.328 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)C1=O ZINC000908107507 663733949 /nfs/dbraw/zinc/73/39/49/663733949.db2.gz KPYOUZPHFRJLCV-WVZRYYJFSA-N 0 0 324.421 0.776 10 0 DCAERN C/C(=C/C(=O)N1CC[C@@H](n2ccnn2)C1)CN1CCOCC1 ZINC000911823588 664112769 /nfs/dbraw/zinc/11/27/69/664112769.db2.gz QZIXBKXCVVEEOE-QLKUMGTLSA-N 0 0 305.382 0.330 10 0 DCAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCOC[C@@H]1CO ZINC000912429029 664171855 /nfs/dbraw/zinc/17/18/55/664171855.db2.gz ZDKCFYLHWVQRMV-NSHDSACASA-N 0 0 323.374 0.950 10 0 DCAERN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCOC[C@@H]1CO ZINC000912422718 664174318 /nfs/dbraw/zinc/17/43/18/664174318.db2.gz RDMXGTIZWHMBTH-LBPRGKRZSA-N 0 0 322.752 0.754 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CO)cc1 ZINC000912421745 664174443 /nfs/dbraw/zinc/17/44/43/664174443.db2.gz JYNMTFHJDBZPKP-LBPRGKRZSA-N 0 0 313.375 0.314 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCCC[C@@H]1CO ZINC000151035084 664255449 /nfs/dbraw/zinc/25/54/49/664255449.db2.gz CAIWNHNRNCRUIE-RKDXNWHRSA-N 0 0 312.288 0.942 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913089738 664267372 /nfs/dbraw/zinc/26/73/72/664267372.db2.gz KNXSNVJAEPNJHF-CIQGVGRVSA-N 0 0 321.377 0.792 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NCC(=O)NC(C)C)C1 ZINC000222633994 664383201 /nfs/dbraw/zinc/38/32/01/664383201.db2.gz XUZVMBMKIWVYCO-CYBMUJFWSA-N 0 0 318.377 0.168 10 0 DCAERN CC(=O)NC[C@H](C)OC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000156798931 664390825 /nfs/dbraw/zinc/39/08/25/664390825.db2.gz VBXGAACHYIAHDK-QMMMGPOBSA-N 0 0 323.740 0.997 10 0 DCAERN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCC1(CO)CC1)O2 ZINC000223223312 664404775 /nfs/dbraw/zinc/40/47/75/664404775.db2.gz LYTIAFWZLJIIQM-HNNXBMFYSA-N 0 0 304.346 0.973 10 0 DCAERN C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223359339 664407768 /nfs/dbraw/zinc/40/77/68/664407768.db2.gz ZTPZCUZVNDTNFT-ZYHUDNBSSA-N 0 0 320.345 0.403 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn3c(c2C)OCC3)C1 ZINC000223835110 664424265 /nfs/dbraw/zinc/42/42/65/664424265.db2.gz FMMDZRSCPLPRLR-LLVKDONJSA-N 0 0 307.350 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H](C(N)=O)O1 ZINC000157591017 664481855 /nfs/dbraw/zinc/48/18/55/664481855.db2.gz DHVYAEHPTMDCMK-NOZJJQNGSA-N 0 0 316.313 0.508 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cccnc1Br ZINC000227574665 664535983 /nfs/dbraw/zinc/53/59/83/664535983.db2.gz GFEBLSFDWAHAIN-ZETCQYMHSA-N 0 0 312.123 0.379 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)OC[C@H]2CC=CCC2)CC1 ZINC000171374327 664607956 /nfs/dbraw/zinc/60/79/56/664607956.db2.gz MUELMMAAPKCUSY-NSHDSACASA-N 0 0 302.396 0.801 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)NCCOCCS(C)(=O)=O ZINC000173540913 664629763 /nfs/dbraw/zinc/62/97/63/664629763.db2.gz JWJBVEAJERNFCU-NWDGAFQWSA-N 0 0 306.428 0.878 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000174429042 664639651 /nfs/dbraw/zinc/63/96/51/664639651.db2.gz DZHBTFWYYPMMRT-UHFFFAOYSA-N 0 0 314.393 0.884 10 0 DCAERN Cc1noc(C)c1CN1CCN(CN2CCOC2=S)CC1 ZINC000064111581 664640706 /nfs/dbraw/zinc/64/07/06/664640706.db2.gz ILBSCQLVQGDVES-UHFFFAOYSA-N 0 0 310.423 0.984 10 0 DCAERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 ZINC000151526961 664662760 /nfs/dbraw/zinc/66/27/60/664662760.db2.gz ZNTLEUVHDMXLEO-ZWNMCFTASA-N 0 0 322.361 0.456 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@H]2CCC[C@H](CO)C2)s1 ZINC000311670064 664673649 /nfs/dbraw/zinc/67/36/49/664673649.db2.gz HEQLRVNARHSDSM-IUCAKERBSA-N 0 0 306.409 0.981 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCC[C@@H]1O ZINC000089162837 664726660 /nfs/dbraw/zinc/72/66/60/664726660.db2.gz WLRWWNKMZDDQOP-AXFHLTTASA-N 0 0 307.437 0.184 10 0 DCAERN O=C(COC(=O)C1=COCCC1)NC(=O)NCC(F)(F)F ZINC000730851756 664820640 /nfs/dbraw/zinc/82/06/40/664820640.db2.gz WPKWGHVGJCWXIF-UHFFFAOYSA-N 0 0 310.228 0.612 10 0 DCAERN C[C@H](OC(=O)C1=COCCC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000730852922 664820995 /nfs/dbraw/zinc/82/09/95/664820995.db2.gz VPPKGATWNSBURH-QMMMGPOBSA-N 0 0 317.305 0.917 10 0 DCAERN O=C(NCCOC[C@H]1CCOC1)NC[C@H](O)C(F)(F)F ZINC000731762387 664883624 /nfs/dbraw/zinc/88/36/24/664883624.db2.gz ATGMMGICTUHANR-IUCAKERBSA-N 0 0 300.277 0.262 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CNC(=O)N2)c1 ZINC000732361299 664920031 /nfs/dbraw/zinc/92/00/31/664920031.db2.gz KLMKPYZFLHGUMT-SKDRFNHKSA-N 0 0 319.317 0.441 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000153664257 664932599 /nfs/dbraw/zinc/93/25/99/664932599.db2.gz BMZDNFCUTSMVTI-CQSZACIVSA-N 0 0 301.346 0.896 10 0 DCAERN CC1([C@@H]2CCCN(C(=O)NCCCn3ccnn3)C2)OCCO1 ZINC000183569653 666069717 /nfs/dbraw/zinc/06/97/17/666069717.db2.gz UHEYJDBEXYYEJP-CYBMUJFWSA-N 0 0 323.397 0.853 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](CCO)CC1 ZINC000422058667 666275812 /nfs/dbraw/zinc/27/58/12/666275812.db2.gz QKPJDHQPHBLVOS-QWHCGFSZSA-N 0 0 300.424 0.919 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccnn2C)CC1 ZINC000185001800 666316332 /nfs/dbraw/zinc/31/63/32/666316332.db2.gz VDKISEHDGBEECY-CQSZACIVSA-N 0 0 309.414 0.061 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000185332597 666409163 /nfs/dbraw/zinc/40/91/63/666409163.db2.gz BBIQIZJLIYYXPT-AWEZNQCLSA-N 0 0 305.378 0.000 10 0 DCAERN CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(Cl)nc1F ZINC000700244891 666702403 /nfs/dbraw/zinc/70/24/03/666702403.db2.gz RLIKATUBUBOVIZ-QMMMGPOBSA-N 0 0 323.777 0.483 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000701239188 666820086 /nfs/dbraw/zinc/82/00/86/666820086.db2.gz DMXNWZRHAFLCMF-RWEMILLDSA-N 0 0 302.396 0.564 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000733880136 666823633 /nfs/dbraw/zinc/82/36/33/666823633.db2.gz SPXHWXCMPOTRAL-WIUDPPPLSA-N 0 0 312.391 0.513 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000733880134 666823657 /nfs/dbraw/zinc/82/36/57/666823657.db2.gz SPXHWXCMPOTRAL-FIKIJFGZSA-N 0 0 312.391 0.513 10 0 DCAERN CC[S@](=O)CCNC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000733879425 666823664 /nfs/dbraw/zinc/82/36/64/666823664.db2.gz NNXJXDWJHMQLRP-FQEVSTJZSA-N 0 0 300.380 0.917 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(OCC(=O)OC)cc1 ZINC000733961492 666832197 /nfs/dbraw/zinc/83/21/97/666832197.db2.gz FYTZUHGEARKVPV-OAQYLSRUSA-N 0 0 313.375 0.737 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccc(OCC(=O)OC)c1 ZINC000733959376 666832319 /nfs/dbraw/zinc/83/23/19/666832319.db2.gz HYCVFKJAEHZWLV-NRFANRHFSA-N 0 0 313.375 0.737 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000733963300 666832709 /nfs/dbraw/zinc/83/27/09/666832709.db2.gz DBYFXBJJIRVBGN-WVDJIFEKSA-N 0 0 320.480 0.819 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ccc(Br)nn2)C1 ZINC000701999765 666899144 /nfs/dbraw/zinc/89/91/44/666899144.db2.gz ZEYCMICWDAHCQC-SSDOTTSWSA-N 0 0 321.200 0.367 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCN1CCCCCC1=O ZINC000735088381 666949698 /nfs/dbraw/zinc/94/96/98/666949698.db2.gz SGWTYIJEERRWTQ-OAQYLSRUSA-N 0 0 317.455 0.847 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCNC(=O)OC(C)(C)C ZINC000735096026 666951684 /nfs/dbraw/zinc/95/16/84/666951684.db2.gz MJZYWBCRZMAVOV-HXUWFJFHSA-N 0 0 307.416 0.579 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000735112417 666954804 /nfs/dbraw/zinc/95/48/04/666954804.db2.gz VLCCOKIZSAUGAE-LAJNKCICSA-N 0 0 310.423 0.710 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000702431087 666956687 /nfs/dbraw/zinc/95/66/87/666956687.db2.gz RKTBPYDJCJZNOY-MGPQQGTHSA-N 0 0 305.378 0.425 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(C(C)=O)c1 ZINC000735200393 666964937 /nfs/dbraw/zinc/96/49/37/666964937.db2.gz PWOQLHFBMFAEBU-OAQYLSRUSA-N 0 0 310.375 0.713 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000735198700 666966439 /nfs/dbraw/zinc/96/64/39/666966439.db2.gz FSEUFRVZNUXDDN-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000702818816 666999783 /nfs/dbraw/zinc/99/97/83/666999783.db2.gz ZIKWZBFRTUHFRT-ZYHUDNBSSA-N 0 0 309.366 0.972 10 0 DCAERN C=CC(=O)NCCNC(=O)c1nn(CC)c2ccccc2c1=O ZINC000735657144 667016864 /nfs/dbraw/zinc/01/68/64/667016864.db2.gz MBOYGCJPZFRCFZ-UHFFFAOYSA-N 0 0 314.345 0.448 10 0 DCAERN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000703173660 667064658 /nfs/dbraw/zinc/06/46/58/667064658.db2.gz KRKWDNNTRCSIBA-FOIKRFTLSA-N 0 0 300.424 0.553 10 0 DCAERN COCc1nn(CN2CCC(Cn3cccn3)CC2)c(=O)o1 ZINC000119737400 667199908 /nfs/dbraw/zinc/19/99/08/667199908.db2.gz KYVZKSYHJPXOEY-UHFFFAOYSA-N 0 0 307.354 0.549 10 0 DCAERN CN1CCN(S(=O)(=O)C2CCC(=O)CC2)C(C)(C)C1=O ZINC000708221309 667442356 /nfs/dbraw/zinc/44/23/56/667442356.db2.gz MZOTVBFAXVMCDT-UHFFFAOYSA-N 0 0 302.396 0.381 10 0 DCAERN COC(=O)c1occc1CNC(C)(C)CNS(C)(=O)=O ZINC000708371853 667443102 /nfs/dbraw/zinc/44/31/02/667443102.db2.gz ITBIEEXPSORUAR-UHFFFAOYSA-N 0 0 304.368 0.484 10 0 DCAERN CC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000707848096 667441861 /nfs/dbraw/zinc/44/18/61/667441861.db2.gz QLWYEBIRJQXHRG-LBPRGKRZSA-N 0 0 302.396 0.238 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000708293700 667442524 /nfs/dbraw/zinc/44/25/24/667442524.db2.gz XCNQGDQKEKULMS-UHFFFAOYSA-N 0 0 306.409 0.293 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N(C)[C@H](C)C(N)=O ZINC000711114923 667449140 /nfs/dbraw/zinc/44/91/40/667449140.db2.gz UROPIEWBHGJSMW-SSDOTTSWSA-N 0 0 320.392 0.337 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000121692103 667471493 /nfs/dbraw/zinc/47/14/93/667471493.db2.gz FSEAIOOUJRQHEH-CQSZACIVSA-N 0 0 319.336 0.913 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cn3nc4cnccn4c3=O)[C@@H]2C1 ZINC000133971466 667498512 /nfs/dbraw/zinc/49/85/12/667498512.db2.gz QZOHYFNODGQIFF-UPJWGTAASA-N 0 0 319.365 0.117 10 0 DCAERN COC(=O)[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000103147438 667700851 /nfs/dbraw/zinc/70/08/51/667700851.db2.gz GQDZRDSOLNEPFF-CQSZACIVSA-N 0 0 302.334 0.641 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2cccc(CO)c2)C1=O ZINC000886074639 667729006 /nfs/dbraw/zinc/72/90/06/667729006.db2.gz JUAQMYQIGLLRDZ-HNNXBMFYSA-N 0 0 320.389 0.823 10 0 DCAERN COc1ccc(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)cn1 ZINC000886075680 667729264 /nfs/dbraw/zinc/72/92/64/667729264.db2.gz UZZOVKFRLYHGEL-WCQYABFASA-N 0 0 317.349 0.473 10 0 DCAERN Cc1ccn(C)c1C(=O)N1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886085020 667730303 /nfs/dbraw/zinc/73/03/03/667730303.db2.gz UVTMQHVUKXSOEQ-MRXNPFEDSA-N 0 0 317.393 0.672 10 0 DCAERN CC1=C(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)CCCO1 ZINC000886084734 667730419 /nfs/dbraw/zinc/73/04/19/667730419.db2.gz CTEWZYZHDRYPNO-MRXNPFEDSA-N 0 0 320.393 0.796 10 0 DCAERN O=C([O-])[C@]1([NH+]2CCN(c3ccnc(C4CC4)n3)CC2)CCOC1 ZINC000886094762 667731407 /nfs/dbraw/zinc/73/14/07/667731407.db2.gz DPKDIKWCFUWDBP-INIZCTEOSA-N 0 0 318.377 0.720 10 0 DCAERN C/C(=C\C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096907 667731528 /nfs/dbraw/zinc/73/15/28/667731528.db2.gz OBELPBRGIDRZKE-TYZQSYOASA-N 0 0 308.378 0.731 10 0 DCAERN CC(=O)Oc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000123218446 667746898 /nfs/dbraw/zinc/74/68/98/667746898.db2.gz PAOKZENGFRYOMS-CYBMUJFWSA-N 0 0 312.391 0.735 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000741421401 667771082 /nfs/dbraw/zinc/77/10/82/667771082.db2.gz QDMUGUAKPGSJKZ-PRWKNARSSA-N 0 0 304.412 0.740 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)NCC[S@](=O)CC)c1C ZINC000742293026 667788563 /nfs/dbraw/zinc/78/85/63/667788563.db2.gz JQSAETCLUZJUGH-GOSISDBHSA-N 0 0 307.441 0.567 10 0 DCAERN CC1(C)CO[C@@H](CNC(=S)NCCN2CCOCC2)C1 ZINC000717637538 667876377 /nfs/dbraw/zinc/87/63/77/667876377.db2.gz KMBXUERVMKGWNZ-GFCCVEGCSA-N 0 0 301.456 0.598 10 0 DCAERN C[C@@H]1CCC[C@@H](CNC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300680523 667888565 /nfs/dbraw/zinc/88/85/65/667888565.db2.gz HRMQMGHAZZLVHS-UPJWGTAASA-N 0 0 302.440 0.706 10 0 DCAERN O=C(Nc1cccc(CN2CCOCC2)n1)NC1CC(CO)C1 ZINC000889263148 667959162 /nfs/dbraw/zinc/95/91/62/667959162.db2.gz OJUISSLJNMGGGS-UHFFFAOYSA-N 0 0 320.393 0.806 10 0 DCAERN O=C(Cn1cc(C2CC2)cn1)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000828873705 668140364 /nfs/dbraw/zinc/14/03/64/668140364.db2.gz OJJOFWNGHOXRLI-ZIAGYGMSSA-N 0 0 305.378 0.807 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2n[nH]cc2c1 ZINC000125177848 668227625 /nfs/dbraw/zinc/22/76/25/668227625.db2.gz FNPLRSULKTZNBW-LLVKDONJSA-N 0 0 308.363 0.278 10 0 DCAERN Cc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000187297266 668248284 /nfs/dbraw/zinc/24/82/84/668248284.db2.gz QWVGTEGFCCZFNE-NSHDSACASA-N 0 0 322.365 0.624 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N[C@H]1COc2ccccc21 ZINC000126784719 668658266 /nfs/dbraw/zinc/65/82/66/668658266.db2.gz MAKMCEJPALHLKS-JQWIXIFHSA-N 0 0 310.375 0.013 10 0 DCAERN CC[C@H]1CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126788027 668658493 /nfs/dbraw/zinc/65/84/93/668658493.db2.gz HKGHQVXVRAHNGY-STQMWFEESA-N 0 0 302.440 0.802 10 0 DCAERN CC[C@@H]1CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126787781 668658527 /nfs/dbraw/zinc/65/85/27/668658527.db2.gz HKGHQVXVRAHNGY-OLZOCXBDSA-N 0 0 302.440 0.802 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC(C1CC1)C1CC1 ZINC000126819128 668665765 /nfs/dbraw/zinc/66/57/65/668665765.db2.gz XXFAHSOEGNCBTK-GFCCVEGCSA-N 0 0 300.424 0.316 10 0 DCAERN Cn1cnn(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1=O ZINC000132133428 669705814 /nfs/dbraw/zinc/70/58/14/669705814.db2.gz ZJSPGBYOEFIWTE-GFCCVEGCSA-N 0 0 317.397 0.694 10 0 DCAERN CC(C)(C)n1cc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)cn1 ZINC000794114866 669790960 /nfs/dbraw/zinc/79/09/60/669790960.db2.gz HVLBFJWHXFGWNU-HNNXBMFYSA-N 0 0 318.381 0.880 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)c1ccc2c(c1)CCC2 ZINC000047550374 669929090 /nfs/dbraw/zinc/92/90/90/669929090.db2.gz NUUFFRIWJGQUOJ-UHFFFAOYSA-N 0 0 323.396 0.481 10 0 DCAERN C[C@@](O)(CNC(=O)NCc1cc(C(N)=O)co1)c1ccco1 ZINC000187987383 669969398 /nfs/dbraw/zinc/96/93/98/669969398.db2.gz HCEFIRDQHSDYRL-CQSZACIVSA-N 0 0 307.306 0.678 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000188026828 669974247 /nfs/dbraw/zinc/97/42/47/669974247.db2.gz KASJSXIRGSGRCI-MNOVXSKESA-N 0 0 315.395 0.681 10 0 DCAERN C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccn1 ZINC000078346003 670007017 /nfs/dbraw/zinc/00/70/17/670007017.db2.gz IGIHKFGKMDCCOO-AEZGRPFRSA-N 0 0 314.345 0.370 10 0 DCAERN CCN(CC)S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000078387632 670016182 /nfs/dbraw/zinc/01/61/82/670016182.db2.gz DJVHDNSIVZAGJW-UHFFFAOYSA-N 0 0 309.395 0.944 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192029961 670119526 /nfs/dbraw/zinc/11/95/26/670119526.db2.gz HLRGBOKTVOLJCI-MNOVXSKESA-N 0 0 302.396 0.096 10 0 DCAERN CN(CCS(C)(=O)=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076304203 670119612 /nfs/dbraw/zinc/11/96/12/670119612.db2.gz HOORKQKAXUFWPF-STQMWFEESA-N 0 0 318.439 0.133 10 0 DCAERN COc1ccc2c(c1)C(=O)N(CN1CCS(=O)(=O)CC1)C2 ZINC000189732717 670151402 /nfs/dbraw/zinc/15/14/02/670151402.db2.gz TZRWSXCULYQACO-UHFFFAOYSA-N 0 0 310.375 0.339 10 0 DCAERN CCn1c2ccccc2nc1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189863196 670168716 /nfs/dbraw/zinc/16/87/16/670168716.db2.gz JMLHXUKIGBOLOO-BXUZGUMPSA-N 0 0 316.361 0.976 10 0 DCAERN CN(Cc1cn(C)nc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000713872391 670170770 /nfs/dbraw/zinc/17/07/70/670170770.db2.gz NPKPJOUZXOOBDQ-SECBINFHSA-N 0 0 322.228 0.802 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccc(F)cc2F)CC1 ZINC000713978632 670173306 /nfs/dbraw/zinc/17/33/06/670173306.db2.gz GETJEEFDRCJSQG-UHFFFAOYSA-N 0 0 304.318 0.445 10 0 DCAERN COC(=O)c1cn(Cc2cn(C)nc2Br)nn1 ZINC000714093773 670178159 /nfs/dbraw/zinc/17/81/59/670178159.db2.gz YRCRCOPBTOLKSB-UHFFFAOYSA-N 0 0 300.116 0.609 10 0 DCAERN CC[C@H](CC(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1)C(C)(C)C ZINC000714297430 670183271 /nfs/dbraw/zinc/18/32/71/670183271.db2.gz FNHNRIPMZOYQPA-LLVKDONJSA-N 0 0 305.444 0.715 10 0 DCAERN COC[C@H]1C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000714293045 670183412 /nfs/dbraw/zinc/18/34/12/670183412.db2.gz ITAHQHHTDDFJOB-OTSSQURYSA-N 0 0 304.393 0.550 10 0 DCAERN O=S(=O)(NCC[C@H]1CCCS1(=O)=O)c1cccnc1F ZINC000714370564 670185393 /nfs/dbraw/zinc/18/53/93/670185393.db2.gz BQSLBYBMBAJMJZ-SECBINFHSA-N 0 0 322.383 0.466 10 0 DCAERN COC(=O)C1(O)CN(c2ncc(C)cc2Br)C1 ZINC000714462935 670188858 /nfs/dbraw/zinc/18/88/58/670188858.db2.gz SRYYSOQTJPFFAC-UHFFFAOYSA-N 0 0 301.140 0.877 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(Cl)cc2C)C1 ZINC000714471423 670189535 /nfs/dbraw/zinc/18/95/35/670189535.db2.gz FEPOZEKRCHVDHX-UHFFFAOYSA-N 0 0 319.766 0.557 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccsc2Br)C1 ZINC000714512524 670190587 /nfs/dbraw/zinc/19/05/87/670190587.db2.gz GAWHFEHESIMBPR-UHFFFAOYSA-N 0 0 320.164 0.871 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@@H]1COCCO1 ZINC000714657059 670192451 /nfs/dbraw/zinc/19/24/51/670192451.db2.gz LETZHHICEHAEPX-LURJTMIESA-N 0 0 307.169 0.937 10 0 DCAERN CCO[C@@H]1C[C@H]1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000193180687 670250303 /nfs/dbraw/zinc/25/03/03/670250303.db2.gz MFDRXBSYLJWGCE-GXSJLCMTSA-N 0 0 306.322 0.098 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000716509166 670266558 /nfs/dbraw/zinc/26/65/58/670266558.db2.gz NTDMFSPCVHSMQB-BJDJZHNGSA-N 0 0 304.412 0.608 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000716858481 670271512 /nfs/dbraw/zinc/27/15/12/670271512.db2.gz YONFQDBJMABGSG-GRYCIOLGSA-N 0 0 306.428 0.324 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccn(CC(F)F)n1 ZINC000193842295 670366871 /nfs/dbraw/zinc/36/68/71/670366871.db2.gz WJPIBQUNXYOYLG-IUCAKERBSA-N 0 0 300.309 0.874 10 0 DCAERN Cc1ncsc1COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000111954760 670527487 /nfs/dbraw/zinc/52/74/87/670527487.db2.gz GZBMLVBYTIZHKL-SNAWJCMRSA-N 0 0 321.358 0.606 10 0 DCAERN CO[C@@H]1CCC[C@H]1OC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000111972897 670531370 /nfs/dbraw/zinc/53/13/70/670531370.db2.gz ASTLJWVBIRZDFG-GHMZBOCLSA-N 0 0 306.322 0.241 10 0 DCAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000113244784 670698942 /nfs/dbraw/zinc/69/89/42/670698942.db2.gz WYGFWNSFNZFNNP-IUODEOHRSA-N 0 0 321.381 0.471 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCCn1cccn1 ZINC000114970896 670896688 /nfs/dbraw/zinc/89/66/88/670896688.db2.gz GFZPZXBZVWJPGO-CYBMUJFWSA-N 0 0 304.350 0.925 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccn(C)n2)cn1 ZINC000818599803 671034279 /nfs/dbraw/zinc/03/42/79/671034279.db2.gz JZNFUKNCJUBBPQ-UONOGXRCSA-N 0 0 319.365 0.142 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C[C@@H](C)OC)CC2)n1 ZINC000105820116 672235402 /nfs/dbraw/zinc/23/54/02/672235402.db2.gz QHDQEVXVJXYLLS-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000106397325 672323859 /nfs/dbraw/zinc/32/38/59/672323859.db2.gz LLPQXROGZPBJLS-LLVKDONJSA-N 0 0 314.817 0.911 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1O ZINC000388919324 685256397 /nfs/dbraw/zinc/25/63/97/685256397.db2.gz VIFJQBKSNURMGM-IUCAKERBSA-N 0 0 315.782 0.989 10 0 DCAERN COc1ncc(S(=O)(=O)N2CCC([C@H](C)O)CC2)s1 ZINC000389158466 685257352 /nfs/dbraw/zinc/25/73/52/685257352.db2.gz YMPPNKVBRDYOOR-QMMMGPOBSA-N 0 0 306.409 0.933 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCCC3(C2)OCCO3)cc1C#N ZINC000390633448 685260747 /nfs/dbraw/zinc/26/07/47/685260747.db2.gz ODRCGAGFLNLDDM-UHFFFAOYSA-N 0 0 323.374 0.789 10 0 DCAERN CS(=O)(=O)C1(CNCc2nc(Br)c[nH]2)CC1 ZINC000393679543 685264668 /nfs/dbraw/zinc/26/46/68/685264668.db2.gz SFVHWPDRJNDHKF-UHFFFAOYSA-N 0 0 308.201 0.839 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000398378985 685274231 /nfs/dbraw/zinc/27/42/31/685274231.db2.gz SEGVDUMYSDXKES-LURJTMIESA-N 0 0 321.742 0.655 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(Br)nc1)S(N)(=O)=O ZINC000398287075 685274759 /nfs/dbraw/zinc/27/47/59/685274759.db2.gz NUNVXICECHVOAL-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000398279233 685274848 /nfs/dbraw/zinc/27/48/48/685274848.db2.gz KPCZUJNVPZHMGR-LURJTMIESA-N 0 0 305.287 0.141 10 0 DCAERN CN(CC1CC(O)C1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000519713537 685298286 /nfs/dbraw/zinc/29/82/86/685298286.db2.gz XKQSKXXUKOAYJL-YTPFDHIKSA-N 0 0 322.405 0.290 10 0 DCAERN Cc1nc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)sc1C ZINC000719584157 685310676 /nfs/dbraw/zinc/31/06/76/685310676.db2.gz RTHUOKQNORYIRK-JTQLQIEISA-N 0 0 317.436 0.153 10 0 DCAERN COCCS(=O)(=O)NCc1cn(C)nc1Br ZINC000720099172 685312562 /nfs/dbraw/zinc/31/25/62/685312562.db2.gz LDKSXJSGMOSKEI-UHFFFAOYSA-N 0 0 312.189 0.248 10 0 DCAERN CO[C@@]1(CNC(=O)c2cccc(F)n2)CCS(=O)(=O)C1 ZINC000720844868 685315887 /nfs/dbraw/zinc/31/58/87/685315887.db2.gz KUQQDDBGVGHPAX-GFCCVEGCSA-N 0 0 302.327 0.154 10 0 DCAERN Cn1ncc(C(=O)NCCOC(F)(F)C(F)(F)F)c1N ZINC000720237496 685312801 /nfs/dbraw/zinc/31/28/01/685312801.db2.gz VCWQXCATWYHFIF-UHFFFAOYSA-N 0 0 302.203 0.904 10 0 DCAERN CC(C)(NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)[O-] ZINC000720479225 685313523 /nfs/dbraw/zinc/31/35/23/685313523.db2.gz BHLPLJJVXRMIHE-NXEZZACHSA-N 0 0 301.412 0.729 10 0 DCAERN CNC(=O)CN(CC(=O)NC)Cc1nc(Cl)ccc1Cl ZINC000720593691 685314310 /nfs/dbraw/zinc/31/43/10/685314310.db2.gz HEQYHEMIUOELPR-UHFFFAOYSA-N 0 0 319.192 0.682 10 0 DCAERN C[C@@H](C(=O)NCc1cn(C)nc1Br)n1cncn1 ZINC000720668511 685314426 /nfs/dbraw/zinc/31/44/26/685314426.db2.gz WWNNQEMFXBKQCA-ZETCQYMHSA-N 0 0 313.159 0.652 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CSC(=O)N2)c(Br)n1 ZINC000720677706 685314487 /nfs/dbraw/zinc/31/44/87/685314487.db2.gz LHSOPJXZUYTWRD-ZCFIWIBFSA-N 0 0 319.184 0.624 10 0 DCAERN CO[C@@]1(CNC(=S)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000720913885 685317098 /nfs/dbraw/zinc/31/70/98/685317098.db2.gz ITHAOMMUBPDUCK-CYBMUJFWSA-N 0 0 320.480 0.987 10 0 DCAERN CO[C@]1(CNCc2cnn(C)c2Cl)CCS(=O)(=O)C1 ZINC000721234499 685317770 /nfs/dbraw/zinc/31/77/70/685317770.db2.gz JIUVYJVJPRJGMN-NSHDSACASA-N 0 0 307.803 0.367 10 0 DCAERN CCOC1CC2(C[C@@H]2NS(=O)(=O)CCCC(=O)OC)C1 ZINC000721190150 685317828 /nfs/dbraw/zinc/31/78/28/685317828.db2.gz XDPOVRBWGHOJPY-AKJDGMEZSA-N 0 0 305.396 0.817 10 0 DCAERN CCOc1cc(NC[C@]2(OC)CCS(=O)(=O)C2)ncn1 ZINC000721211572 685318412 /nfs/dbraw/zinc/31/84/12/685318412.db2.gz LLFCVVCMJDPSDE-GFCCVEGCSA-N 0 0 301.368 0.491 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c1C ZINC000722576164 685320128 /nfs/dbraw/zinc/32/01/28/685320128.db2.gz DADLBPMZCAZFAI-WDEREUQCSA-N 0 0 305.421 0.647 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000038110116 685057708 /nfs/dbraw/zinc/05/77/08/685057708.db2.gz JLUDUPOHZXUVKO-SECBINFHSA-N 0 0 320.802 0.363 10 0 DCAERN CN1CCN(c2cc(C(=O)NN3CCCCC3)ccn2)CC1 ZINC000089343729 685093844 /nfs/dbraw/zinc/09/38/44/685093844.db2.gz ZRKKPFLTPPQSDT-UHFFFAOYSA-N 0 0 303.410 0.964 10 0 DCAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000089333066 685094444 /nfs/dbraw/zinc/09/44/44/685094444.db2.gz YNCIEEJXAIVFRD-GHMZBOCLSA-N 0 0 310.737 0.685 10 0 DCAERN C#CCN(C(=O)N[C@H](C)CCSC)[C@H]1CCS(=O)(=O)C1 ZINC000091222318 685104102 /nfs/dbraw/zinc/10/41/02/685104102.db2.gz IUFSZDDHIOPATF-NEPJUHHUSA-N 0 0 318.464 0.960 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1ccnc1 ZINC000177597555 685148223 /nfs/dbraw/zinc/14/82/23/685148223.db2.gz LNIGFRKXZIEODC-JSGCOSHPSA-N 0 0 317.393 0.820 10 0 DCAERN CC(C)n1nnnc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000195516785 685154947 /nfs/dbraw/zinc/15/49/47/685154947.db2.gz LJPNVUMTDSRSEH-UHFFFAOYSA-N 0 0 307.335 0.599 10 0 DCAERN Cc1ccc(N2CCC[C@@H]2COC(=O)[C@@H]2CNC(=O)C2)nn1 ZINC000247054268 685169646 /nfs/dbraw/zinc/16/96/46/685169646.db2.gz ZLQGXHKNFIHGJT-NWDGAFQWSA-N 0 0 304.350 0.433 10 0 DCAERN CCC[C@@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000247384699 685171727 /nfs/dbraw/zinc/17/17/27/685171727.db2.gz FWIMWJHYCFBDEE-VXGBXAGGSA-N 0 0 303.428 0.216 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)N[C@H](C)C[S@@](C)=O ZINC000248441777 685174586 /nfs/dbraw/zinc/17/45/86/685174586.db2.gz DSCFCMADLNKVIC-NNJUXLKUSA-N 0 0 314.407 0.795 10 0 DCAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000252192673 685186240 /nfs/dbraw/zinc/18/62/40/685186240.db2.gz RVZYQBMZVGBZJA-FRRDWIJNSA-N 0 0 302.440 0.800 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)C[C@@H]1C ZINC000380723500 685238030 /nfs/dbraw/zinc/23/80/30/685238030.db2.gz JRXYHDMIBKZHKN-WPRPVWTQSA-N 0 0 301.368 0.158 10 0 DCAERN CNC(=O)CNC(=O)c1cc(F)c(Br)cc1N ZINC000310277058 1158086707 /nfs/dbraw/zinc/08/67/07/1158086707.db2.gz UTEFBJVNASETMW-UHFFFAOYSA-N 0 0 304.119 0.646 10 0 DCAERN CNC(=O)NCCNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000397466442 1158099943 /nfs/dbraw/zinc/09/99/43/1158099943.db2.gz RGSWCGZVHQAXOP-UHFFFAOYSA-N 0 0 316.770 0.419 10 0 DCAERN CON(C)C(=O)CNC(=O)c1cc(Br)ccc1N ZINC000397524539 1158101238 /nfs/dbraw/zinc/10/12/38/1158101238.db2.gz HMYYOMNGCBKSCE-UHFFFAOYSA-N 0 0 316.155 0.781 10 0 DCAERN NC(=O)CC1CN(C(=O)c2ccc(Br)cc2N)C1 ZINC000382117097 1158128864 /nfs/dbraw/zinc/12/88/64/1158128864.db2.gz TXSCDDBQAIATML-UHFFFAOYSA-N 0 0 312.167 0.979 10 0 DCAERN O=C(c1ccc(Br)o1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388026146 1158967160 /nfs/dbraw/zinc/96/71/60/1158967160.db2.gz DNNPLCSXIQZUIL-OLQVQODUSA-N 0 0 313.107 0.387 10 0 DCAERN O=C1NC(=O)[C@@H]2CN(Cc3cncc(Br)c3)C[C@H]12 ZINC000388126702 1159129868 /nfs/dbraw/zinc/12/98/68/1159129868.db2.gz PUQXKFBLNYWJAE-AOOOYVTPSA-N 0 0 310.151 0.549 10 0 DCAERN Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCO2)cnn1-c1ccc(=O)[nH]n1 ZINC000027891953 1171414968 /nfs/dbraw/zinc/41/49/68/1171414968.db2.gz DUQHVBKHDPHUMP-CABZTGNLSA-N 0 0 317.349 0.974 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)c2ccon2)cc1 ZINC000044586729 1171572649 /nfs/dbraw/zinc/57/26/49/1171572649.db2.gz LHTRMINCOYPHRU-UHFFFAOYSA-N 0 0 309.347 0.685 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000067365590 1173773876 /nfs/dbraw/zinc/77/38/76/1173773876.db2.gz XLAOQCVYNHGFLL-CYBMUJFWSA-N 0 0 321.377 0.774 10 0 DCAERN CC[C@@H](C)NC(=O)CCNCc1ccc(S(N)(=O)=O)o1 ZINC000088539286 1175267438 /nfs/dbraw/zinc/26/74/38/1175267438.db2.gz MHXSNHMLDQWQOX-SECBINFHSA-N 0 0 303.384 0.321 10 0 DCAERN C#CCN(C(=O)Cc1ccc(C)c(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089458114 1175318511 /nfs/dbraw/zinc/31/85/11/1175318511.db2.gz LMQVFBDXNBAPFE-AWEZNQCLSA-N 0 0 321.398 0.892 10 0 DCAERN O=C1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C(=O)N1 ZINC000090017909 1175371316 /nfs/dbraw/zinc/37/13/16/1175371316.db2.gz BAESGJOIPNQPTA-SECBINFHSA-N 0 0 318.301 0.900 10 0 DCAERN O=C(NC[C@@H](O)CO)C1(c2ccc(Br)cc2)CC1 ZINC000090279756 1175391334 /nfs/dbraw/zinc/39/13/34/1175391334.db2.gz DFHNDDLIRAUEQW-LLVKDONJSA-N 0 0 314.179 0.950 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N1Cc2cncnc2C1 ZINC000096366381 1175873613 /nfs/dbraw/zinc/87/36/13/1175873613.db2.gz CBYLMROYRPIERU-UHFFFAOYSA-N 0 0 308.297 0.615 10 0 DCAERN CNc1ccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)nc1 ZINC000228605435 1177519106 /nfs/dbraw/zinc/51/91/06/1177519106.db2.gz WGVOSEIGYTWXPC-NSHDSACASA-N 0 0 315.420 0.683 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000133682767 1177529761 /nfs/dbraw/zinc/52/97/61/1177529761.db2.gz GBRJEBAOBZIBQW-UHFFFAOYSA-N 0 0 320.393 0.991 10 0 DCAERN Cc1noc(C)c1[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000152416933 1180544167 /nfs/dbraw/zinc/54/41/67/1180544167.db2.gz ZEYCSCRNHFVVKT-XCBNKYQSSA-N 0 0 308.338 0.499 10 0 DCAERN CS(=O)(=O)NCCCNc1nc(Cl)nc2nc[nH]c21 ZINC000231023137 1180555127 /nfs/dbraw/zinc/55/51/27/1180555127.db2.gz OHGLFGXDUGVFBU-UHFFFAOYSA-N 0 0 304.763 0.358 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2cccc(Cl)c2N)CC1 ZINC000155905734 1180556224 /nfs/dbraw/zinc/55/62/24/1180556224.db2.gz DMDMNWIMUDTYBX-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN C[C@H]1CN(C[C@@](C)(O)c2ccccc2)CCN1S(C)(=O)=O ZINC000245635819 1182900159 /nfs/dbraw/zinc/90/01/59/1182900159.db2.gz WLPOINYLVLHZEJ-DZGCQCFKSA-N 0 0 312.435 0.860 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC1=O ZINC000248831348 1183435076 /nfs/dbraw/zinc/43/50/76/1183435076.db2.gz FHLPFDQMPDYTTQ-GHMZBOCLSA-N 0 0 302.396 0.286 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000175380832 1184086732 /nfs/dbraw/zinc/08/67/32/1184086732.db2.gz SJTJMBXFAGRELP-CQSZACIVSA-N 0 0 314.407 0.292 10 0 DCAERN Cc1cccn(CC(=O)NCCNC(=O)c2cccnc2)c1=O ZINC000180159355 1185169540 /nfs/dbraw/zinc/16/95/40/1185169540.db2.gz FTKCTYPAYMKSPD-UHFFFAOYSA-N 0 0 314.345 0.098 10 0 DCAERN Cc1noc([C@H](NC(=O)NCCCOCCO)C(C)C)n1 ZINC000181576350 1185180990 /nfs/dbraw/zinc/18/09/90/1185180990.db2.gz FCXWRDYLQKRTAO-LLVKDONJSA-N 0 0 300.359 0.773 10 0 DCAERN CN(C[C@H]1CCCOC1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189330014 1187889882 /nfs/dbraw/zinc/88/98/82/1187889882.db2.gz KSQLIIOCPHDAAR-SNVBAGLBSA-N 0 0 302.334 0.817 10 0 DCAERN CC(=O)N1CCC(CNC(=O)COCc2ccnn2C)CC1 ZINC000283294452 1187960231 /nfs/dbraw/zinc/96/02/31/1187960231.db2.gz CPUISUJLOZLIQK-UHFFFAOYSA-N 0 0 308.382 0.311 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(F)c2N)C1 ZINC000400263396 1189986629 /nfs/dbraw/zinc/98/66/29/1189986629.db2.gz TZDAYBKLAGIFSE-QMMMGPOBSA-N 0 0 301.343 0.172 10 0 DCAERN CC(C)OCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307890828 1190384047 /nfs/dbraw/zinc/38/40/47/1190384047.db2.gz IREUHYCWERQXJZ-UHFFFAOYSA-N 0 0 300.380 0.827 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(Br)cc2N)CC(=O)N1 ZINC000387303341 1190700387 /nfs/dbraw/zinc/70/03/87/1190700387.db2.gz PEUYDANWPYQCSC-ZETCQYMHSA-N 0 0 312.167 0.992 10 0 DCAERN Cn1cc(Br)c(CNC(=O)c2cnns2)n1 ZINC000393646671 1190701910 /nfs/dbraw/zinc/70/19/10/1190701910.db2.gz REYPGGNICHIKTG-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN CNC(=O)[C@@H](NCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)C(C)C ZINC000588382610 747177285 /nfs/dbraw/zinc/17/72/85/747177285.db2.gz LEMRNUSEZQZCQF-ABAIWWIYSA-N 0 0 321.425 0.575 10 0 DCAERN Nc1ccc(Cl)cc1C(=O)NCCN1CCCS1(=O)=O ZINC000405330574 747504916 /nfs/dbraw/zinc/50/49/16/747504916.db2.gz ZRCQTXKZZJPYDC-UHFFFAOYSA-N 0 0 317.798 0.688 10 0 DCAERN CCC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000169847320 757078751 /nfs/dbraw/zinc/07/87/51/757078751.db2.gz ANSJLXCGMYZUMG-ZDUSSCGKSA-N 0 0 309.410 0.714 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000180796331 758201192 /nfs/dbraw/zinc/20/11/92/758201192.db2.gz NVAWRZSLHLUENO-CMPLNLGQSA-N 0 0 305.382 0.886 10 0 DCAERN CCCNC(=O)COC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000586324467 768112413 /nfs/dbraw/zinc/11/24/13/768112413.db2.gz JXJAQXTUKQHQDN-UHFFFAOYSA-N 0 0 323.740 0.999 10 0 DCAERN O=C(Cn1c(=O)oc2ccccc21)NCCCN1CCOC1=O ZINC000170856138 769517039 /nfs/dbraw/zinc/51/70/39/769517039.db2.gz YKFBKLXTZXJBRU-UHFFFAOYSA-N 0 0 319.317 0.553 10 0 DCAERN COCCOCC(=O)N(CCC(=O)OC)C[C@H]1CCCO1 ZINC000096592835 769702493 /nfs/dbraw/zinc/70/24/93/769702493.db2.gz RKWHIRDEAYLZHZ-GFCCVEGCSA-N 0 0 303.355 0.220 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccnc1F ZINC000401811037 774067390 /nfs/dbraw/zinc/06/73/90/774067390.db2.gz FLNBLUYLGRUHLF-UHFFFAOYSA-N 0 0 303.359 0.710 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccnc1F ZINC000401839129 774067914 /nfs/dbraw/zinc/06/79/14/774067914.db2.gz QBGAEEVPFHSSSW-UHFFFAOYSA-N 0 0 303.359 0.710 10 0 DCAERN COC(=O)c1cncc(NCC(=O)NCc2ccccc2)n1 ZINC000316934098 774999347 /nfs/dbraw/zinc/99/93/47/774999347.db2.gz FKLUEYXETRODML-UHFFFAOYSA-N 0 0 300.318 0.992 10 0 DCAERN CN1CCN(C(=O)NCCCNC(=O)c2ccccc2F)CC1 ZINC000586455188 948728476 /nfs/dbraw/zinc/72/84/76/948728476.db2.gz CJFRWJRLVFRNNN-UHFFFAOYSA-N 0 0 322.384 0.903 10 0 DCAERN COC[C@@]1(C(=O)[O-])CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000696832618 954819294 /nfs/dbraw/zinc/81/92/94/954819294.db2.gz CQFYGLCVSRZROW-WCQYABFASA-N 0 0 305.396 0.234 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000367763780 290605648 /nfs/dbraw/zinc/60/56/48/290605648.db2.gz QEUIVLZAMHQKKM-RYUDHWBXSA-N 0 0 315.395 0.644 10 0 DCAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000076988062 185063540 /nfs/dbraw/zinc/06/35/40/185063540.db2.gz LAUIABSGWBVUNR-KBPBESRZSA-N 0 0 317.389 0.713 10 0 DCAERN O=C(C1CCCC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000272844949 210241332 /nfs/dbraw/zinc/24/13/32/210241332.db2.gz NRJQWMSHDRYCQI-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCCNC(=O)N(C)C)ccc1C ZINC000190540722 529539398 /nfs/dbraw/zinc/53/93/98/529539398.db2.gz DIBNEFCMDQFXJJ-UHFFFAOYSA-N 0 0 320.393 0.883 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)O2)n(C)n1 ZINC000190142069 529539587 /nfs/dbraw/zinc/53/95/87/529539587.db2.gz CQMZCAZHXLWMFX-LLVKDONJSA-N 0 0 308.382 0.995 10 0 DCAERN C[C@@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000088499468 185254171 /nfs/dbraw/zinc/25/41/71/185254171.db2.gz HHPCMOMDIVMUGK-QWHCGFSZSA-N 0 0 307.398 0.906 10 0 DCAERN CC(C)Cc1nsc(N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000278995969 214558959 /nfs/dbraw/zinc/55/89/59/214558959.db2.gz FFOFEGSPOOGFMM-ZDUSSCGKSA-N 0 0 309.395 0.915 10 0 DCAERN CC1(C)OCC2(C[C@@H](n3cnc4c3ncnc4N)CO2)CO1 ZINC000090602410 185306103 /nfs/dbraw/zinc/30/61/03/185306103.db2.gz IQTIXSBPQMEZKI-SECBINFHSA-N 0 0 305.338 0.892 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000182408159 529701259 /nfs/dbraw/zinc/70/12/59/529701259.db2.gz SWWZCOOIEQVFIF-KBPBESRZSA-N 0 0 319.471 0.352 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1F ZINC000181406333 199292164 /nfs/dbraw/zinc/29/21/64/199292164.db2.gz PYUFOLUZHSNFMQ-SECBINFHSA-N 0 0 302.327 0.009 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(=O)NC1CC1)CC2 ZINC000181410649 199293029 /nfs/dbraw/zinc/29/30/29/199293029.db2.gz YEJUNPROWJBPIB-LLVKDONJSA-N 0 0 320.397 0.294 10 0 DCAERN CCc1nc(CNC(=O)NCCS(=O)(=O)NC)cs1 ZINC000187510940 529738494 /nfs/dbraw/zinc/73/84/94/529738494.db2.gz NHDGYWATEGZTQH-UHFFFAOYSA-N 0 0 306.413 0.054 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179157073 282297337 /nfs/dbraw/zinc/29/73/37/282297337.db2.gz WSBSUBVZUOHXAV-OCCSQVGLSA-N 0 0 314.345 0.442 10 0 DCAERN CN(C)c1noc(CN2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000185244937 529818298 /nfs/dbraw/zinc/81/82/98/529818298.db2.gz BHSNOHSWQHGGDO-UHFFFAOYSA-N 0 0 323.397 0.206 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000173546571 529846833 /nfs/dbraw/zinc/84/68/33/529846833.db2.gz NBAHHOCSCDIANZ-GFCCVEGCSA-N 0 0 317.455 0.811 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)NCc1ccc(Cl)cn1 ZINC000181663173 199334993 /nfs/dbraw/zinc/33/49/93/199334993.db2.gz XULOHITUIUOZKM-UHFFFAOYSA-N 0 0 311.769 0.990 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@@H](C)c1nnc2ccccn21)C(C)C ZINC000178396660 529897368 /nfs/dbraw/zinc/89/73/68/529897368.db2.gz XRLCGOKEKVSFJY-JQWIXIFHSA-N 0 0 318.381 0.860 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(C)C ZINC000178589117 529898288 /nfs/dbraw/zinc/89/82/88/529898288.db2.gz PGGFPLDXSFOEBD-NSHDSACASA-N 0 0 309.366 0.919 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000027029194 190653520 /nfs/dbraw/zinc/65/35/20/190653520.db2.gz KXUNRXWJOOKNCD-AWEZNQCLSA-N 0 0 316.357 0.897 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000178438761 529919416 /nfs/dbraw/zinc/91/94/16/529919416.db2.gz FKPZCXVPSGVYLX-KCJUWKMLSA-N 0 0 311.304 0.466 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000178412990 529920085 /nfs/dbraw/zinc/92/00/85/529920085.db2.gz JAHSSBUWKXOUKC-WDEREUQCSA-N 0 0 308.386 0.491 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(C)C ZINC000178841897 529920599 /nfs/dbraw/zinc/92/05/99/529920599.db2.gz DEOAAGSQWIYESY-GFCCVEGCSA-N 0 0 302.338 0.163 10 0 DCAERN C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1F)[C@H]1CCCO1 ZINC000043571206 545648913 /nfs/dbraw/zinc/64/89/13/545648913.db2.gz YIGBJTQGUQEAQT-QPUJVOFHSA-N 0 0 316.354 0.770 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000106921328 185463999 /nfs/dbraw/zinc/46/39/99/185463999.db2.gz DYGNEAADFCHWQA-CQSZACIVSA-N 0 0 317.389 0.770 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107140585 185469899 /nfs/dbraw/zinc/46/98/99/185469899.db2.gz WJVIUVARXDWKLI-UHFFFAOYSA-N 0 0 324.362 0.406 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCN(C)C(=O)C1)CC2 ZINC000181727520 199344126 /nfs/dbraw/zinc/34/41/26/199344126.db2.gz BZTLVPPQLPZOKI-LLVKDONJSA-N 0 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DRPSKRMPYGXMFA-UHFFFAOYSA-N 0 0 306.413 0.031 10 0 DCAERN O=C([O-])[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CC[NH2+]1 ZINC000071763943 191027137 /nfs/dbraw/zinc/02/71/37/191027137.db2.gz XGGDLVPNESTBCP-GFCCVEGCSA-N 0 0 300.318 0.575 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)NCCc1ccsc1 ZINC000170994434 197863082 /nfs/dbraw/zinc/86/30/82/197863082.db2.gz ZAICWRBYWBPSKH-UHFFFAOYSA-N 0 0 310.379 0.532 10 0 DCAERN C[C@H](NC(=O)N[C@@H](C(N)=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000179608345 299166105 /nfs/dbraw/zinc/16/61/05/299166105.db2.gz CFAOJMAFOQUXFI-ONGXEEELSA-N 0 0 322.413 0.875 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000150322411 186056561 /nfs/dbraw/zinc/05/65/61/186056561.db2.gz YIABOXAQODKEHR-SCZZXKLOSA-N 0 0 302.334 0.582 10 0 DCAERN CCc1nc(CNC(=O)N2CCN3C(=O)NC[C@@H]3C2)cs1 ZINC000150803785 186066910 /nfs/dbraw/zinc/06/69/10/186066910.db2.gz CHCZZSPAVBOMEI-SNVBAGLBSA-N 0 0 309.395 0.625 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1Cc2ccccc2C1 ZINC000171535809 186171220 /nfs/dbraw/zinc/17/12/20/186171220.db2.gz NRHYCNUNCFSFHC-UHFFFAOYSA-N 0 0 314.407 0.842 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCCn2ncnc21 ZINC000175709219 186190908 /nfs/dbraw/zinc/19/09/08/186190908.db2.gz RCDUJPDLDUPIDG-LLVKDONJSA-N 0 0 312.333 0.572 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000175630310 186182661 /nfs/dbraw/zinc/18/26/61/186182661.db2.gz QRSQPHCWBVHEGD-NSHDSACASA-N 0 0 316.361 0.237 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1Cl ZINC000179685960 186205243 /nfs/dbraw/zinc/20/52/43/186205243.db2.gz RFSOVFJJYSJGBU-SECBINFHSA-N 0 0 304.755 0.215 10 0 DCAERN C[C@@H](CNC(=O)Nc1cccc(N(C)C)n1)N1CCOCC1 ZINC000181932628 186220350 /nfs/dbraw/zinc/22/03/50/186220350.db2.gz VQYTVHNSYXVAAG-LBPRGKRZSA-N 0 0 307.398 0.990 10 0 DCAERN O=C(NCCNS(=O)(=O)C[C@@H]1CCOC1)c1ccccc1 ZINC000171671154 197964647 /nfs/dbraw/zinc/96/46/47/197964647.db2.gz BSEARQVDRZVMQL-GFCCVEGCSA-N 0 0 312.391 0.372 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000172005037 198024055 /nfs/dbraw/zinc/02/40/55/198024055.db2.gz LZELIWBBXJGEGK-ZDUSSCGKSA-N 0 0 301.346 0.922 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N)nc(Cl)c2)CCS1(=O)=O ZINC000172371155 198087141 /nfs/dbraw/zinc/08/71/41/198087141.db2.gz VTYNHEUEALTYAH-SSDOTTSWSA-N 0 0 303.771 0.576 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)c1 ZINC000172390398 198089385 /nfs/dbraw/zinc/08/93/85/198089385.db2.gz WCEIRFAJXBAFSQ-LLVKDONJSA-N 0 0 300.384 0.020 10 0 DCAERN COCCn1ccc(NC(=O)CNC(=O)c2ccccn2)n1 ZINC000172534802 198110756 /nfs/dbraw/zinc/11/07/56/198110756.db2.gz AJZNWYWXYDYDLU-UHFFFAOYSA-N 0 0 303.322 0.293 10 0 DCAERN COc1ccnc(N2CCN(C(=O)Cc3ccncc3)CC2)n1 ZINC000172686526 198136853 /nfs/dbraw/zinc/13/68/53/198136853.db2.gz XJNTVEDYIMKCRY-UHFFFAOYSA-N 0 0 313.361 0.772 10 0 DCAERN CCc1nc2nnc(C(=O)N3CCN(CC)CC3)c(C)n2n1 ZINC000072452915 191171684 /nfs/dbraw/zinc/17/16/84/191171684.db2.gz ZJFDRDRENAAZJT-UHFFFAOYSA-N 0 0 303.370 0.168 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4cccnc4)c3=O)n2n1 ZINC000072465788 191174510 /nfs/dbraw/zinc/17/45/10/191174510.db2.gz ZNLXPFNXKSDAJY-UHFFFAOYSA-N 0 0 308.301 0.970 10 0 DCAERN COC[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172713773 198140117 /nfs/dbraw/zinc/14/01/17/198140117.db2.gz IESSRVFUGQUWEW-OSAQELSMSA-N 0 0 305.378 1.000 10 0 DCAERN CCOc1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000173088761 198184037 /nfs/dbraw/zinc/18/40/37/198184037.db2.gz DHHQIZVYWCARIZ-UHFFFAOYSA-N 0 0 303.318 0.735 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)COC)ncn1 ZINC000173428103 198213796 /nfs/dbraw/zinc/21/37/96/198213796.db2.gz MJXCJWHRJDMTET-NEPJUHHUSA-N 0 0 307.398 0.886 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cnn(C)c2C)CC1 ZINC000182054223 199380043 /nfs/dbraw/zinc/38/00/43/199380043.db2.gz BRFGYTAKJCETHP-AWEZNQCLSA-N 0 0 309.414 0.327 10 0 DCAERN CCN(CCO)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173568147 198227582 /nfs/dbraw/zinc/22/75/82/198227582.db2.gz NETHVCGEYBZKAE-GFCCVEGCSA-N 0 0 323.397 0.248 10 0 DCAERN CO[C@H](C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000173825488 198257367 /nfs/dbraw/zinc/25/73/67/198257367.db2.gz DDBOXCAOZKEVAQ-CYBMUJFWSA-N 0 0 319.405 0.977 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1N1CCOCC1 ZINC000173979675 198276419 /nfs/dbraw/zinc/27/64/19/198276419.db2.gz FEFAYASBNHMTBE-CJNGLKHVSA-N 0 0 318.421 0.940 10 0 DCAERN Cc1cnn(CC[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000174086630 198289777 /nfs/dbraw/zinc/28/97/77/198289777.db2.gz ZSARXNBSICQHPE-ZDUSSCGKSA-N 0 0 302.382 0.710 10 0 DCAERN C[C@H]1CN(C)c2ccccc2N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000174058792 198286930 /nfs/dbraw/zinc/28/69/30/198286930.db2.gz UNOSKPVZGXIGRB-NSHDSACASA-N 0 0 316.361 0.657 10 0 DCAERN CN(Cc1cc2ccccc2o1)C(=O)CN1CC(=O)NC1=O ZINC000174694329 198371608 /nfs/dbraw/zinc/37/16/08/198371608.db2.gz SILWHCNUSICFKA-UHFFFAOYSA-N 0 0 301.302 0.943 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000174852769 198393639 /nfs/dbraw/zinc/39/36/39/198393639.db2.gz OWGZYNMIJXFELD-MWLCHTKSSA-N 0 0 300.384 0.401 10 0 DCAERN CC1(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCC1 ZINC000175082570 198425813 /nfs/dbraw/zinc/42/58/13/198425813.db2.gz ADTARLRTDRJPAH-UHFFFAOYSA-N 0 0 324.402 0.866 10 0 DCAERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccco1 ZINC000175117080 198430045 /nfs/dbraw/zinc/43/00/45/198430045.db2.gz PUGKLLMGJKRMKQ-HZMBPMFUSA-N 0 0 305.338 0.393 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1cccc(-n2cnnn2)c1 ZINC000177574044 295876702 /nfs/dbraw/zinc/87/67/02/295876702.db2.gz NKHFLVGAVAZULG-LBPRGKRZSA-N 0 0 310.321 0.519 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431657 283027457 /nfs/dbraw/zinc/02/74/57/283027457.db2.gz JFDJMMZPSCMJKR-RYUDHWBXSA-N 0 0 316.365 0.666 10 0 DCAERN COCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000080659317 192180033 /nfs/dbraw/zinc/18/00/33/192180033.db2.gz PXYGLPRETMBKOI-NSHDSACASA-N 0 0 309.370 0.170 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000247139771 283070710 /nfs/dbraw/zinc/07/07/10/283070710.db2.gz XDJFTFKSTHPRCP-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN Cc1nc(CNC(=O)N(CCC(N)=O)Cc2ccccc2)no1 ZINC000073559605 191327857 /nfs/dbraw/zinc/32/78/57/191327857.db2.gz SZKBGASUHUMLJQ-UHFFFAOYSA-N 0 0 317.349 0.965 10 0 DCAERN Cc1cccc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c1 ZINC000074933036 191390291 /nfs/dbraw/zinc/39/02/91/191390291.db2.gz BYKPFONKNPPTLE-UHFFFAOYSA-N 0 0 300.362 0.910 10 0 DCAERN Cc1nccc(N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000183772301 199640398 /nfs/dbraw/zinc/64/03/98/199640398.db2.gz JQTGEQPHGAEPHC-LBPRGKRZSA-N 0 0 312.439 0.588 10 0 DCAERN CN1CC[C@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)CC1=O ZINC000195341076 283111359 /nfs/dbraw/zinc/11/13/59/283111359.db2.gz VVSSQIYBLMHWJM-AAEUAGOBSA-N 0 0 301.346 0.298 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000077808320 191779301 /nfs/dbraw/zinc/77/93/01/191779301.db2.gz HYJAJBBHVLJWGL-OLZOCXBDSA-N 0 0 322.409 0.399 10 0 DCAERN C=CC(=O)OCCOC(=O)c1ccccc1C(=O)OCCO ZINC000005157555 181212041 /nfs/dbraw/zinc/21/20/41/181212041.db2.gz OEURXIFGOPBMJF-UHFFFAOYSA-N 0 0 308.286 0.722 10 0 DCAERN CCC(=O)Nc1ccc(C(=O)Nc2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000005416948 181240967 /nfs/dbraw/zinc/24/09/67/181240967.db2.gz NRABOQVEHGBTFG-UHFFFAOYSA-N 0 0 302.290 0.664 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177635694 198754097 /nfs/dbraw/zinc/75/40/97/198754097.db2.gz VPFAVSXSCYOKLS-LLVKDONJSA-N 0 0 303.297 0.487 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCCn3ncnc32)cs1 ZINC000177590711 198749319 /nfs/dbraw/zinc/74/93/19/198749319.db2.gz BNUPYZZZTCOZAM-QMMMGPOBSA-N 0 0 306.351 0.958 10 0 DCAERN Cn1nccc1CCC(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000184490536 199723217 /nfs/dbraw/zinc/72/32/17/199723217.db2.gz IWORTZXPIUWGAP-MRXNPFEDSA-N 0 0 300.362 0.870 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCCOCCO)no2)c1 ZINC000180398806 199153755 /nfs/dbraw/zinc/15/37/55/199153755.db2.gz LLPCWFUOQYMEKO-UHFFFAOYSA-N 0 0 308.338 0.357 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NCc1ccc(Cl)cn1 ZINC000180709935 199200452 /nfs/dbraw/zinc/20/04/52/199200452.db2.gz CPAZFFNYMMLJEA-UHFFFAOYSA-N 0 0 320.802 0.474 10 0 DCAERN O=C(NCc1ccc(Cl)cn1)N1CCN2C(=O)NC[C@H]2C1 ZINC000180855434 199218948 /nfs/dbraw/zinc/21/89/48/199218948.db2.gz GRJLZLOOTPCJDL-NSHDSACASA-N 0 0 309.757 0.654 10 0 DCAERN COCCCOCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000180865363 199221441 /nfs/dbraw/zinc/22/14/41/199221441.db2.gz FRVPQCOUSJJGNQ-ZDUSSCGKSA-N 0 0 308.382 0.615 10 0 DCAERN CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181213138 199266459 /nfs/dbraw/zinc/26/64/59/199266459.db2.gz QHKJAZKQJPPGJS-JTQLQIEISA-N 0 0 317.411 0.430 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCC1(CCO)CCC1 ZINC000127395372 236962524 /nfs/dbraw/zinc/96/25/24/236962524.db2.gz WQEQMAWKQFSUGR-NEPJUHHUSA-N 0 0 306.428 0.483 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000155446618 237039894 /nfs/dbraw/zinc/03/98/94/237039894.db2.gz FVMPSGGUUKPSFO-JHJVBQTASA-N 0 0 302.440 0.610 10 0 DCAERN C[C@@H]1CN(CC(=O)NCC2CCCCC2)CCS1(=O)=O ZINC000155460248 237040375 /nfs/dbraw/zinc/04/03/75/237040375.db2.gz ZBVLCPDWGPZFTM-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@H]1C ZINC000167465967 237127218 /nfs/dbraw/zinc/12/72/18/237127218.db2.gz ISHRQBOAACDPEP-DTWKUNHWSA-N 0 0 316.354 0.723 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000170689954 237131797 /nfs/dbraw/zinc/13/17/97/237131797.db2.gz GQEZPUIQLGXJOF-VXGBXAGGSA-N 0 0 317.393 0.803 10 0 DCAERN COC(C)(C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000171588140 237135554 /nfs/dbraw/zinc/13/55/54/237135554.db2.gz GTZSMBLZKKXYGW-UHFFFAOYSA-N 0 0 311.426 0.568 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)N1CCN(Cc2ccon2)CC1 ZINC000173948817 237167059 /nfs/dbraw/zinc/16/70/59/237167059.db2.gz HOHQGNBXHYPGLP-CYBMUJFWSA-N 0 0 321.381 0.171 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1N1CCOCC1 ZINC000173962778 237169677 /nfs/dbraw/zinc/16/96/77/237169677.db2.gz GSAAQNBVXNNRJE-QWRGUYRKSA-N 0 0 323.418 0.640 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]3CCC[C@H]31)c2=O ZINC000174285535 237172429 /nfs/dbraw/zinc/17/24/29/237172429.db2.gz NTJYFSHOZZPYLU-WCQYABFASA-N 0 0 315.377 0.921 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000178725392 237235473 /nfs/dbraw/zinc/23/54/73/237235473.db2.gz YTSCWWWBOGMVEQ-STQMWFEESA-N 0 0 306.428 0.436 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187326198 200095577 /nfs/dbraw/zinc/09/55/77/200095577.db2.gz XIQZXKDKPWDODL-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN O=C(c1ccc(F)cn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000181981483 237270817 /nfs/dbraw/zinc/27/08/17/237270817.db2.gz VXAHFBCVNJGOAB-LBPRGKRZSA-N 0 0 321.352 0.932 10 0 DCAERN C[C@@H]1CN(CC(=O)NCCC2=CCCCC2)CCN1CCO ZINC000187697378 237357537 /nfs/dbraw/zinc/35/75/37/237357537.db2.gz ZVQXEUOXCCFKCX-OAHLLOKOSA-N 0 0 309.454 0.992 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCN1CCO ZINC000187672714 200142618 /nfs/dbraw/zinc/14/26/18/200142618.db2.gz YXMWQKOJJDVUSB-NSHDSACASA-N 0 0 312.801 0.672 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cccc(C(N)=O)c2)CCN1CCO ZINC000187128508 237339532 /nfs/dbraw/zinc/33/95/32/237339532.db2.gz QZQPTTGHRTWQCO-NSHDSACASA-N 0 0 306.366 0.316 10 0 DCAERN C[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCN1CCO ZINC000187129761 237340628 /nfs/dbraw/zinc/34/06/28/237340628.db2.gz CXPRRGXEBLUZHM-ZDUSSCGKSA-N 0 0 315.377 0.406 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nnnn2C(C)C)C1 ZINC000189340634 237396185 /nfs/dbraw/zinc/39/61/85/237396185.db2.gz VMDQQCYLELIEHP-WDEREUQCSA-N 0 0 307.358 0.907 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)[C@@H]1C(N)=O ZINC000285645648 291201647 /nfs/dbraw/zinc/20/16/47/291201647.db2.gz WWUVBKYAAFOOTE-YVLXSGLVSA-N 0 0 316.357 0.848 10 0 DCAERN CCNC(=O)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000188486746 200254814 /nfs/dbraw/zinc/25/48/14/200254814.db2.gz XFRPNJAHTLODCT-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN Cn1cc(NC(=O)c2ccc(F)c(F)c2F)c(=O)n(C)c1=O ZINC000153608395 291207701 /nfs/dbraw/zinc/20/77/01/291207701.db2.gz FZQMOVKYMLUTEE-UHFFFAOYSA-N 0 0 313.235 0.754 10 0 DCAERN CCOCCNC(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153740339 291208223 /nfs/dbraw/zinc/20/82/23/291208223.db2.gz NMDPBBXOTGTDQM-GFCCVEGCSA-N 0 0 307.385 0.800 10 0 DCAERN CCn1ccnc1CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O ZINC000153794573 291208714 /nfs/dbraw/zinc/20/87/14/291208714.db2.gz GXEWYNVZZUINOV-AWEZNQCLSA-N 0 0 302.338 0.604 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000153854771 291209044 /nfs/dbraw/zinc/20/90/44/291209044.db2.gz NYCWTNSXSFWNHZ-AAEUAGOBSA-N 0 0 313.361 0.923 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000153919200 291209379 /nfs/dbraw/zinc/20/93/79/291209379.db2.gz AXWRMMNGIXKSBT-NSHDSACASA-N 0 0 322.413 0.891 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2ccccc2F)CCN1CCO ZINC000188719483 200292689 /nfs/dbraw/zinc/29/26/89/200292689.db2.gz FDNLOJYIRSQVNF-LBPRGKRZSA-N 0 0 316.398 0.654 10 0 DCAERN O=C(NC1CC1)c1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000154282633 291212013 /nfs/dbraw/zinc/21/20/13/291212013.db2.gz UQCRQGSJMFWOLK-OAHLLOKOSA-N 0 0 320.389 0.651 10 0 DCAERN Cc1cc(C)n(-c2ccccc2CNC(=O)CNC(N)=O)n1 ZINC000155391172 291219844 /nfs/dbraw/zinc/21/98/44/291219844.db2.gz CQCZILHNJIYBRA-UHFFFAOYSA-N 0 0 301.350 0.774 10 0 DCAERN Cn1cc(NC(=O)C(=O)NCCOc2ccc(F)cc2F)cn1 ZINC000156644268 291225526 /nfs/dbraw/zinc/22/55/26/291225526.db2.gz XCOQZCAJQMSFBS-UHFFFAOYSA-N 0 0 324.287 0.832 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC000157085908 291226924 /nfs/dbraw/zinc/22/69/24/291226924.db2.gz PLDLOXMNDYLLSG-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN CCN(CCCO)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000158940133 291232978 /nfs/dbraw/zinc/23/29/78/291232978.db2.gz APGJURXBLRPODF-UHFFFAOYSA-N 0 0 315.391 0.795 10 0 DCAERN C[C@]1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCCC[C@@H]1O ZINC000246727396 238160716 /nfs/dbraw/zinc/16/07/16/238160716.db2.gz GLYVIDIGALGNFG-SLEUVZQESA-N 0 0 307.398 0.833 10 0 DCAERN C[C@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000161865521 291242708 /nfs/dbraw/zinc/24/27/08/291242708.db2.gz RZMGYICJISWJJL-RYUDHWBXSA-N 0 0 304.412 0.774 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1F ZINC000163947495 291246969 /nfs/dbraw/zinc/24/69/69/291246969.db2.gz KCGXSLIHWHLJGN-JTQLQIEISA-N 0 0 307.325 0.660 10 0 DCAERN CCOc1cccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000275866659 238315557 /nfs/dbraw/zinc/31/55/57/238315557.db2.gz XVVAHVPTZGUTMX-INIZCTEOSA-N 0 0 321.421 0.703 10 0 DCAERN CN(C)C(=O)CCNc1ncc(I)cn1 ZINC000165180692 291248325 /nfs/dbraw/zinc/24/83/25/291248325.db2.gz DZCQKDXQRYSSLS-UHFFFAOYSA-N 0 0 320.134 0.971 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@](C)(O)CO ZINC000310730799 291251804 /nfs/dbraw/zinc/25/18/04/291251804.db2.gz MSZPXVMISBHHCI-LBPRGKRZSA-N 0 0 318.167 0.931 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328651129 291259982 /nfs/dbraw/zinc/25/99/82/291259982.db2.gz VWGZTRHOQDWCKF-CYBMUJFWSA-N 0 0 312.439 0.975 10 0 DCAERN CC(C)[C@@H](O)C1(CNC(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000271872396 209285372 /nfs/dbraw/zinc/28/53/72/209285372.db2.gz LSZUULQQUFMCRC-GFCCVEGCSA-N 0 0 318.381 0.322 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000281485701 216334103 /nfs/dbraw/zinc/33/41/03/216334103.db2.gz JFIPHSZUCICDNW-QWHCGFSZSA-N 0 0 319.409 0.801 10 0 DCAERN COC(=O)CCC(=O)NC(=S)Nc1ccccc1C(N)=O ZINC000006388660 181336749 /nfs/dbraw/zinc/33/67/49/181336749.db2.gz UWSXMFQZYMQCQH-UHFFFAOYSA-N 0 0 309.347 0.552 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000073743831 291319564 /nfs/dbraw/zinc/31/95/64/291319564.db2.gz NRSFQNCWMXJNCN-QWRGUYRKSA-N 0 0 308.334 0.952 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000442114380 240540452 /nfs/dbraw/zinc/54/04/52/240540452.db2.gz SOGGVVRPDBPWMD-NSHDSACASA-N 0 0 310.379 0.050 10 0 DCAERN O=C(Nc1cccnc1Cl)C(=O)N1CCN(C2CC2)CC1 ZINC000091213669 193020551 /nfs/dbraw/zinc/02/05/51/193020551.db2.gz YXLITFINIRJLDO-UHFFFAOYSA-N 0 0 308.769 0.980 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000091244610 193026181 /nfs/dbraw/zinc/02/61/81/193026181.db2.gz LZALKFUTHNQVJG-VXGBXAGGSA-N 0 0 321.377 0.300 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Br)nc1 ZINC000091448795 193057886 /nfs/dbraw/zinc/05/78/86/193057886.db2.gz GAFGBZRGFIZTQT-ZETCQYMHSA-N 0 0 312.123 0.379 10 0 DCAERN COC(=O)CCN1CCN(C(=O)NCc2ccnn2C)[C@@H](C)C1 ZINC000091601651 193078608 /nfs/dbraw/zinc/07/86/08/193078608.db2.gz BVCQETGIPWUWCN-LBPRGKRZSA-N 0 0 323.397 0.199 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCOC)CC12COC2 ZINC000454425309 240781338 /nfs/dbraw/zinc/78/13/38/240781338.db2.gz KNAWFVUGUNYKNL-RYUDHWBXSA-N 0 0 314.382 0.633 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc2c(c1)CCCC2 ZINC000091779554 193106000 /nfs/dbraw/zinc/10/60/00/193106000.db2.gz ZOKMKPKKDSOPSJ-HNNXBMFYSA-N 0 0 318.373 0.657 10 0 DCAERN NC(=O)CN1CCC(C(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000091792934 193108951 /nfs/dbraw/zinc/10/89/51/193108951.db2.gz FMVJXIQTRKORKD-OAHLLOKOSA-N 0 0 316.405 0.942 10 0 DCAERN NC(=O)CN1CCC(C(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000091792931 193109114 /nfs/dbraw/zinc/10/91/14/193109114.db2.gz FMVJXIQTRKORKD-HNNXBMFYSA-N 0 0 316.405 0.942 10 0 DCAERN Cc1ccc(OCCNC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000457432027 241006454 /nfs/dbraw/zinc/00/64/54/241006454.db2.gz CGTPZDHSDWYTOR-CYBMUJFWSA-N 0 0 319.365 0.326 10 0 DCAERN O=C(NCCc1ccccc1F)NC[C@H](O)Cn1ccnn1 ZINC000457487962 241008017 /nfs/dbraw/zinc/00/80/17/241008017.db2.gz ZKMCAPZPLWYBKW-LBPRGKRZSA-N 0 0 307.329 0.320 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000457471439 241008985 /nfs/dbraw/zinc/00/89/85/241008985.db2.gz BGBCOWYJUKFEIW-GXTWGEPZSA-N 0 0 303.366 0.742 10 0 DCAERN Cc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000457879628 241046297 /nfs/dbraw/zinc/04/62/97/241046297.db2.gz YOJISXAJUMTRSM-AWEZNQCLSA-N 0 0 303.366 0.755 10 0 DCAERN CCN1C[C@@H](NC(=O)NC[C@H](CO)c2ccccc2)CC1=O ZINC000459031193 241052517 /nfs/dbraw/zinc/05/25/17/241052517.db2.gz QEXXEWBDKMDPDI-KGLIPLIRSA-N 0 0 305.378 0.683 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCOC[C@H]1C1CC1 ZINC000365580491 291381272 /nfs/dbraw/zinc/38/12/72/291381272.db2.gz HRKPCMFJPATUNA-AGIUHOORSA-N 0 0 317.407 0.769 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C[C@H]1C ZINC000408293975 291393179 /nfs/dbraw/zinc/39/31/79/291393179.db2.gz JMVXQCFLWIPCQU-NXEZZACHSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)CC(=O)N1C ZINC000282014947 216699488 /nfs/dbraw/zinc/69/94/88/216699488.db2.gz IYOXOENLYYFKBI-JQWIXIFHSA-N 0 0 321.381 0.966 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000366076455 284017236 /nfs/dbraw/zinc/01/72/36/284017236.db2.gz HLJKBSFBEJTZQI-HSMVNMDESA-N 0 0 308.378 0.704 10 0 DCAERN Cc1oc(C(=O)N2CCC(=O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000275222725 212205512 /nfs/dbraw/zinc/20/55/12/212205512.db2.gz IBYYRDRYSRVJHD-ZETCQYMHSA-N 0 0 300.336 0.287 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)NCc1cccc(Cl)c1 ZINC000092231193 193177312 /nfs/dbraw/zinc/17/73/12/193177312.db2.gz NMYVLDYOTLGDQG-LBPRGKRZSA-N 0 0 311.769 0.142 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092231308 193177409 /nfs/dbraw/zinc/17/74/09/193177409.db2.gz RRIYPHYVXICTBQ-HNNXBMFYSA-N 0 0 319.405 0.610 10 0 DCAERN NC(=O)[C@H]1COCCN1CCc1nc(-c2ccccc2)no1 ZINC000092229636 193177594 /nfs/dbraw/zinc/17/75/94/193177594.db2.gz SXUHJKZVOHABGU-GFCCVEGCSA-N 0 0 302.334 0.465 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000092228981 193177716 /nfs/dbraw/zinc/17/77/16/193177716.db2.gz MLJQYKFAHHAZFY-LBPRGKRZSA-N 0 0 311.769 0.855 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000226722380 284041768 /nfs/dbraw/zinc/04/17/68/284041768.db2.gz BOUBDOJAVJUNPI-BFVZDQMLSA-N 0 0 312.391 0.462 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248811 296142827 /nfs/dbraw/zinc/14/28/27/296142827.db2.gz XDVMUHZYCHWHKG-RHSMWYFYSA-N 0 0 316.357 0.955 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@H](C)c2nccn2C)[C@H](C)C1 ZINC000569878215 291500495 /nfs/dbraw/zinc/50/04/95/291500495.db2.gz AEHSBQMUPTXGGG-VXGBXAGGSA-N 0 0 308.382 0.577 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000571351831 291510516 /nfs/dbraw/zinc/51/05/16/291510516.db2.gz JAHRHLLHMKKCJC-JTQLQIEISA-N 0 0 305.338 0.989 10 0 DCAERN CC1(CNC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)COC1 ZINC000264799411 204164550 /nfs/dbraw/zinc/16/45/50/204164550.db2.gz FRVVGBVYEIMTTM-UHFFFAOYSA-N 0 0 303.318 0.255 10 0 DCAERN CN(C(=O)[C@H]1CSCN1C(=O)c1cccn(C)c1=O)C1CC1 ZINC000264943924 204291202 /nfs/dbraw/zinc/29/12/02/204291202.db2.gz ABLKZFTXILXFMB-GFCCVEGCSA-N 0 0 321.402 0.521 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282497508 217040992 /nfs/dbraw/zinc/04/09/92/217040992.db2.gz WVRMNGORWUYCOB-JTQLQIEISA-N 0 0 316.365 0.217 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246074537 284308591 /nfs/dbraw/zinc/30/85/91/284308591.db2.gz DYWAXQLFOVHSPO-CABCVRRESA-N 0 0 305.378 0.702 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)[C@@H]1CCC(=O)NC1 ZINC000571972618 291541686 /nfs/dbraw/zinc/54/16/86/291541686.db2.gz MGWYVCSSEUANBF-VXGBXAGGSA-N 0 0 304.346 0.859 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)CC12CCC(CC1)C2 ZINC000571988977 291542953 /nfs/dbraw/zinc/54/29/53/291542953.db2.gz LDVCERBOAYVMCM-CVZZAPKMSA-N 0 0 319.423 0.799 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)[C@@H](C)C1 ZINC000408397618 296186242 /nfs/dbraw/zinc/18/62/42/296186242.db2.gz YXCLKVLHZKBHED-DTWKUNHWSA-N 0 0 304.334 0.265 10 0 DCAERN O=C(c1ncsc1Br)N1C[C@@H](O)C[C@H]1CO ZINC000572134196 291550848 /nfs/dbraw/zinc/55/08/48/291550848.db2.gz XHWVDENXLWKVRT-WDSKDSINSA-N 0 0 307.169 0.473 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)C1COC1 ZINC000408364228 291555352 /nfs/dbraw/zinc/55/53/52/291555352.db2.gz IVDAIONSHNIEOW-WCQGTBRESA-N 0 0 303.380 0.521 10 0 DCAERN COc1ccc(NC(=O)c2ccncc2)cc1S(N)(=O)=O ZINC000016068413 182030940 /nfs/dbraw/zinc/03/09/40/182030940.db2.gz OFJXJSIZBIFARF-UHFFFAOYSA-N 0 0 307.331 0.990 10 0 DCAERN [NH3+][C@H](CS[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O)C(=O)[O-] ZINC000016900361 182062893 /nfs/dbraw/zinc/06/28/93/182062893.db2.gz OKTSLBHSWJQDNJ-ZJUUUORDSA-N 0 0 310.331 0.169 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1(C)C ZINC000573312652 291623421 /nfs/dbraw/zinc/62/34/21/291623421.db2.gz MNYOYJZKSZPYSO-PBFPGSCMSA-N 0 0 324.421 0.944 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000364453433 291633562 /nfs/dbraw/zinc/63/35/62/291633562.db2.gz KWKSOWZMANNQHR-CRWXNKLISA-N 0 0 308.378 0.797 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)Nc2cccc(N)c2)CC1 ZINC000036284091 182811848 /nfs/dbraw/zinc/81/18/48/182811848.db2.gz WMQQIXAPFOXQGV-UHFFFAOYSA-N 0 0 313.379 0.811 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Nc2cccc(CO)c2)C[C@@H](C)O1 ZINC000038003804 182959453 /nfs/dbraw/zinc/95/94/53/182959453.db2.gz GULDANNVHPAJFG-GHMZBOCLSA-N 0 0 300.380 0.945 10 0 DCAERN CC(=O)N(CCC(=O)N1CCNC(=O)CC1)Cc1ccccc1 ZINC000101860607 193844766 /nfs/dbraw/zinc/84/47/66/193844766.db2.gz LMHZTOZBHPUESG-UHFFFAOYSA-N 0 0 317.389 0.774 10 0 DCAERN Nc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1COCCO1 ZINC000038062549 182984928 /nfs/dbraw/zinc/98/49/28/182984928.db2.gz QBRNMNBYINEEBN-SECBINFHSA-N 0 0 306.771 0.616 10 0 DCAERN CCOC(=O)Cn1c(CCNC(=O)COC)nc2ccccc21 ZINC000040198056 183045336 /nfs/dbraw/zinc/04/53/36/183045336.db2.gz LDSGZQGAXXSUTK-UHFFFAOYSA-N 0 0 319.361 0.905 10 0 DCAERN CC[C@@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278548 183249275 /nfs/dbraw/zinc/24/92/75/183249275.db2.gz MZIJMRWDTWKVGS-SSDOTTSWSA-N 0 0 310.372 0.550 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000042483557 183276215 /nfs/dbraw/zinc/27/62/15/183276215.db2.gz YCZWSEDNTDLJPP-VIFPVBQESA-N 0 0 308.787 0.550 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)cs1 ZINC000042373099 183260671 /nfs/dbraw/zinc/26/06/71/183260671.db2.gz IULGMTPNMQQXDO-QMMMGPOBSA-N 0 0 310.422 0.138 10 0 DCAERN O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCOCC1 ZINC000042629211 183291971 /nfs/dbraw/zinc/29/19/71/183291971.db2.gz XFRFIIYTJARXKG-OAHLLOKOSA-N 0 0 302.374 0.936 10 0 DCAERN COCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1C ZINC000042809761 183311343 /nfs/dbraw/zinc/31/13/43/183311343.db2.gz KDABLNWKWOWMIZ-UHFFFAOYSA-N 0 0 308.381 0.031 10 0 DCAERN COCc1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000104788466 194040601 /nfs/dbraw/zinc/04/06/01/194040601.db2.gz WDQANBMMEBFFET-HNNXBMFYSA-N 0 0 307.394 0.963 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799647 194041878 /nfs/dbraw/zinc/04/18/78/194041878.db2.gz JQOQVRYPQSZPND-MRXNPFEDSA-N 0 0 318.421 0.849 10 0 DCAERN C[C@@H]1COCCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000046256835 183559075 /nfs/dbraw/zinc/55/90/75/183559075.db2.gz FGENZFFEDOZZQA-GFCCVEGCSA-N 0 0 323.393 0.879 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811744 194134813 /nfs/dbraw/zinc/13/48/13/194134813.db2.gz FYTUANYNFSDYBW-NWDGAFQWSA-N 0 0 304.350 0.324 10 0 DCAERN CCc1noc([C@H](C)N2CCN(CCCNC(C)=O)CC2)n1 ZINC000105865460 194150230 /nfs/dbraw/zinc/15/02/30/194150230.db2.gz FEQAYLQHVWNNJH-LBPRGKRZSA-N 0 0 309.414 0.837 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333137841 295477707 /nfs/dbraw/zinc/47/77/07/295477707.db2.gz IVWURPVIHBELRI-OUAUKWLOSA-N 0 0 307.437 0.672 10 0 DCAERN CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897336 194163089 /nfs/dbraw/zinc/16/30/89/194163089.db2.gz SPCWPQUGWBHZST-QWHCGFSZSA-N 0 0 322.409 0.760 10 0 DCAERN C[C@H](C(=O)N(C)C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105911762 194167736 /nfs/dbraw/zinc/16/77/36/194167736.db2.gz KJSFVWFULJZJLF-ZBFHGGJFSA-N 0 0 305.422 0.814 10 0 DCAERN CCOC(=O)CCN1CCN(c2nccc(OCC)n2)CC1 ZINC000105917265 194169482 /nfs/dbraw/zinc/16/94/82/194169482.db2.gz DAQBEBSKZJNHPF-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN C[C@@H](CNC(=O)c1ccccc1-n1cnnn1)N1CCOCC1 ZINC000105994791 194178045 /nfs/dbraw/zinc/17/80/45/194178045.db2.gz BAEZCEJDVRODTE-LBPRGKRZSA-N 0 0 316.365 0.113 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(CC(=O)N1CCNC1=O)C2 ZINC000106372595 194202651 /nfs/dbraw/zinc/20/26/51/194202651.db2.gz MFWXIACXDOSNJF-UHFFFAOYSA-N 0 0 305.382 0.453 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000106395239 194206145 /nfs/dbraw/zinc/20/61/45/194206145.db2.gz YLMBYPJVESDTPG-HNNXBMFYSA-N 0 0 313.442 0.598 10 0 DCAERN O=C(CN1CCCC[C@@H]1CN1CCOCC1)NC(=O)NC1CC1 ZINC000109820091 194290417 /nfs/dbraw/zinc/29/04/17/194290417.db2.gz FUSYEBALLOQJKZ-CQSZACIVSA-N 0 0 324.425 0.161 10 0 DCAERN CN(CCN1CCOCC1)C(=O)[C@H]1CCCN1c1nccs1 ZINC000110690204 194350862 /nfs/dbraw/zinc/35/08/62/194350862.db2.gz BXBHJYFGARQKDA-CYBMUJFWSA-N 0 0 324.450 0.903 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000110901449 194367774 /nfs/dbraw/zinc/36/77/74/194367774.db2.gz RIOQSMGPVPUYLN-CQSZACIVSA-N 0 0 322.409 0.644 10 0 DCAERN COC(=O)CCCc1nc(CN2CCC[C@@H]2C(=O)N(C)C)no1 ZINC000111196719 194402294 /nfs/dbraw/zinc/40/22/94/194402294.db2.gz FXIHCHOFDTWJPH-LLVKDONJSA-N 0 0 324.381 0.618 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000111891281 194421794 /nfs/dbraw/zinc/42/17/94/194421794.db2.gz KDNUIPODEXPHIK-IHRRRGAJSA-N 0 0 303.362 0.686 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)[C@H]1CCCCS1(=O)=O ZINC000273274320 210647086 /nfs/dbraw/zinc/64/70/86/210647086.db2.gz PAXGBRTWAXERIE-SNVBAGLBSA-N 0 0 308.363 0.944 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CCNC(=O)CC2)n1 ZINC000059883518 184142098 /nfs/dbraw/zinc/14/20/98/184142098.db2.gz VPOCZVILVYHMTM-UHFFFAOYSA-N 0 0 300.771 0.814 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2)c(Cl)c1 ZINC000062777983 184252979 /nfs/dbraw/zinc/25/29/79/184252979.db2.gz RASSCGOXGXOZEN-UHFFFAOYSA-N 0 0 300.727 0.963 10 0 DCAERN COC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O ZINC000065237289 184317299 /nfs/dbraw/zinc/31/72/99/184317299.db2.gz XTQTXAKHCBHSKC-UHFFFAOYSA-N 0 0 314.363 0.196 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)CCOCC(C)C ZINC000362459323 262037998 /nfs/dbraw/zinc/03/79/98/262037998.db2.gz VZILIQMJFHGSCR-KGLIPLIRSA-N 0 0 303.399 0.986 10 0 DCAERN Cc1cccc(OCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116835375 194775400 /nfs/dbraw/zinc/77/54/00/194775400.db2.gz YQUDLSVZBFGJPE-GFCCVEGCSA-N 0 0 312.391 0.524 10 0 DCAERN O=S(=O)(Cc1nc(-c2ccc(F)cc2)no1)C[C@H](O)CO ZINC000177673316 252606250 /nfs/dbraw/zinc/60/62/50/252606250.db2.gz RWYJEROUHUJQJE-SNVBAGLBSA-N 0 0 316.310 0.144 10 0 DCAERN CCc1cnc(CCNS(=O)(=O)C[C@H](C)C(=O)OC)s1 ZINC000175358439 252601113 /nfs/dbraw/zinc/60/11/13/252601113.db2.gz ISMMOBOGROQDJJ-VIFPVBQESA-N 0 0 320.436 0.977 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000333068838 252676047 /nfs/dbraw/zinc/67/60/47/252676047.db2.gz JRNSLMPLYHFNIH-VWYCJHECSA-N 0 0 313.423 0.329 10 0 DCAERN CN1CC[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000333256035 252698885 /nfs/dbraw/zinc/69/88/85/252698885.db2.gz LFUQQIGTERGVJY-MJBXVCDLSA-N 0 0 321.421 0.762 10 0 DCAERN CC(C)(CNC(=O)[C@@H]1CCCCO1)N1CCS(=O)CC1 ZINC000333221838 252695063 /nfs/dbraw/zinc/69/50/63/252695063.db2.gz DUULRSZFDGAMLS-LBPRGKRZSA-N 0 0 302.440 0.515 10 0 DCAERN O=C1NC2(CCCC2)C(=O)N1CCN1CCc2cncnc2C1 ZINC000329638293 296352332 /nfs/dbraw/zinc/35/23/32/296352332.db2.gz YXZBBQYXEXUQOT-UHFFFAOYSA-N 0 0 315.377 0.904 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c1 ZINC000340177257 253212151 /nfs/dbraw/zinc/21/21/51/253212151.db2.gz XAVVWNMGQJQZRQ-JTQLQIEISA-N 0 0 308.363 0.848 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O ZINC000340751447 253298536 /nfs/dbraw/zinc/29/85/36/253298536.db2.gz GOWDYXPDQMDXEK-GFCCVEGCSA-N 0 0 304.412 0.281 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1c1ncc(S(N)(=O)=O)s1 ZINC000343700404 253687829 /nfs/dbraw/zinc/68/78/29/253687829.db2.gz CVIUXFKIYKDDFJ-JGVFFNPUSA-N 0 0 307.397 0.031 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000104745775 220436561 /nfs/dbraw/zinc/43/65/61/220436561.db2.gz XLNQIFODDMTAQR-RKDXNWHRSA-N 0 0 305.425 0.895 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000347655280 254176157 /nfs/dbraw/zinc/17/61/57/254176157.db2.gz PQSNIHDKMGJQFG-RKQHYHRCSA-N 0 0 310.394 0.735 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@@H](CO)O1 ZINC000347715230 254181576 /nfs/dbraw/zinc/18/15/76/254181576.db2.gz ZTSVLWILLYINEQ-JQWIXIFHSA-N 0 0 304.350 0.637 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2ncc(Br)s2)C1 ZINC000348205360 254226540 /nfs/dbraw/zinc/22/65/40/254226540.db2.gz XEURGTWAPGNJTG-SECBINFHSA-N 0 0 306.185 0.328 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000349968643 254306244 /nfs/dbraw/zinc/30/62/44/254306244.db2.gz HSUFHMWUAYHDMV-SSDOTTSWSA-N 0 0 307.290 0.172 10 0 DCAERN COc1n[nH]c(NC(=O)c2nn(C)cc2Br)n1 ZINC000294659519 224148924 /nfs/dbraw/zinc/14/89/24/224148924.db2.gz SSRBPFXOZOLVCJ-UHFFFAOYSA-N 0 0 301.104 0.562 10 0 DCAERN C[C@@H](O)CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000351893181 254378987 /nfs/dbraw/zinc/37/89/87/254378987.db2.gz YENCMPWEEAGGID-SNVBAGLBSA-N 0 0 324.402 0.571 10 0 DCAERN COC(=O)[C@H]1COCCN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000373858494 291915636 /nfs/dbraw/zinc/91/56/36/291915636.db2.gz HYFPUCSIMYLDRQ-SNVBAGLBSA-N 0 0 304.306 0.280 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1CC1(O)CCC(C)CC1 ZINC000408419094 291920892 /nfs/dbraw/zinc/92/08/92/291920892.db2.gz GQRZNGQMHUJUOV-MBHSVXNSSA-N 0 0 319.423 0.200 10 0 DCAERN O=C1[C@@H]2COCCN2C(=O)N1[C@H]1CCN(c2ccccc2)C1 ZINC000272120733 296421519 /nfs/dbraw/zinc/42/15/19/296421519.db2.gz SENVPSMTTCGGSZ-KBPBESRZSA-N 0 0 301.346 0.928 10 0 DCAERN Cn1ccnc1C(=O)N1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC000248115626 257107959 /nfs/dbraw/zinc/10/79/59/257107959.db2.gz IOVAMWHHRIVJOU-OLZOCXBDSA-N 0 0 312.377 0.809 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@H]1COC2(CN(C)C2)CN1C ZINC000248151603 257108053 /nfs/dbraw/zinc/10/80/53/257108053.db2.gz XPWUOGUHLQUIHU-CQSZACIVSA-N 0 0 304.394 0.055 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](O)[C@H]2Cc2ccncc2)c1 ZINC000248158281 257108575 /nfs/dbraw/zinc/10/85/75/257108575.db2.gz WKTXVXWPGNERRN-CHWSQXEVSA-N 0 0 322.390 0.182 10 0 DCAERN COCC(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1csc(C)n1 ZINC000248040085 257111928 /nfs/dbraw/zinc/11/19/28/257111928.db2.gz ONKILHJLJBZEKB-NEPJUHHUSA-N 0 0 309.391 0.800 10 0 DCAERN O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000247959087 257112706 /nfs/dbraw/zinc/11/27/06/257112706.db2.gz PDUADFJPXZVYSF-RTXFEEFZSA-N 0 0 302.334 0.077 10 0 DCAERN CNC(=O)C[C@@H]1CN(C(=O)Cc2ccco2)Cc2ccnn21 ZINC000247943059 257114136 /nfs/dbraw/zinc/11/41/36/257114136.db2.gz JFPSPMUZUHEMMJ-GFCCVEGCSA-N 0 0 302.334 0.738 10 0 DCAERN CO[C@@H]1C[C@H](NC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H](CO)O1 ZINC000247940146 257114551 /nfs/dbraw/zinc/11/45/51/257114551.db2.gz MXBHVTZBVDMMDC-ZQDZILKHSA-N 0 0 323.345 0.470 10 0 DCAERN COCCNC(=O)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21 ZINC000247905292 257115504 /nfs/dbraw/zinc/11/55/04/257115504.db2.gz WYIGRBOVHOZZNG-UPJWGTAASA-N 0 0 324.356 0.220 10 0 DCAERN O=C([O-])C[N@@H+]1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC000247438651 257119671 /nfs/dbraw/zinc/11/96/71/257119671.db2.gz WQPGTFBEAMUEFA-AAEUAGOBSA-N 0 0 324.402 0.996 10 0 DCAERN O=S1(=O)CC[C@@H](COCC2CC2)C12CN(c1ncccn1)C2 ZINC000247335874 257120529 /nfs/dbraw/zinc/12/05/29/257120529.db2.gz QSRYPAIEFXBZJD-ZDUSSCGKSA-N 0 0 323.418 0.897 10 0 DCAERN COCCC1(C(=O)NC[C@H](O)CN2CCOCC2)CCCC1 ZINC000132786897 545794333 /nfs/dbraw/zinc/79/43/33/545794333.db2.gz XUHGJUYTGDJTOG-AWEZNQCLSA-N 0 0 314.426 0.393 10 0 DCAERN CCN1CCO[C@H](C(=O)N2CCNC[C@@H]2c2cccnc2)C1 ZINC000261959957 285360279 /nfs/dbraw/zinc/36/02/79/285360279.db2.gz MHFVTFKEVDWOQF-CABCVRRESA-N 0 0 304.394 0.275 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H](O)C2CCCCC2)C1 ZINC000188040744 533413469 /nfs/dbraw/zinc/41/34/69/533413469.db2.gz VCFXJLBGDVNWQK-VXGBXAGGSA-N 0 0 304.412 0.078 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)c2csc(Cl)n2)C1 ZINC000275474059 130324839 /nfs/dbraw/zinc/32/48/39/130324839.db2.gz CXSCZPPHOPIKAC-ZETCQYMHSA-N 0 0 323.827 0.808 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276649812 130531137 /nfs/dbraw/zinc/53/11/37/130531137.db2.gz YCEXTPKBGCBDKB-UPJWGTAASA-N 0 0 319.409 0.704 10 0 DCAERN CCCc1cc(=O)n2nc(N3CC(=O)N(C)[C@H](C)C3)sc2n1 ZINC000283634931 131008897 /nfs/dbraw/zinc/00/88/97/131008897.db2.gz WAQYYXHLAYXOAD-SECBINFHSA-N 0 0 321.406 0.770 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284555760 131091228 /nfs/dbraw/zinc/09/12/28/131091228.db2.gz IZBHJRLREYEINA-RYUDHWBXSA-N 0 0 310.325 0.478 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1C(N)=O ZINC000284670359 131102877 /nfs/dbraw/zinc/10/28/77/131102877.db2.gz HOGKQDPNDQWIQO-KCJUWKMLSA-N 0 0 318.782 0.603 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000284702743 131106025 /nfs/dbraw/zinc/10/60/25/131106025.db2.gz YUSOLWKEXFHECM-ZWNOBZJWSA-N 0 0 312.395 0.164 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)ccc2O1 ZINC000284817245 131113647 /nfs/dbraw/zinc/11/36/47/131113647.db2.gz UMMYNBYBHIKPSO-GBIKHYSHSA-N 0 0 324.402 0.752 10 0 DCAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284848292 131115899 /nfs/dbraw/zinc/11/58/99/131115899.db2.gz QGNVIDRHLYDBTH-OAHLLOKOSA-N 0 0 318.381 0.798 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1C(N)=O ZINC000284886786 131119706 /nfs/dbraw/zinc/11/97/06/131119706.db2.gz ZTHRVDKITLJROI-VXNVDRBHSA-N 0 0 304.318 0.707 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)COCc3ccnn3C)CCO2)cn1 ZINC000285233662 131149487 /nfs/dbraw/zinc/14/94/87/131149487.db2.gz KSZNTXWMLHCLJT-AWEZNQCLSA-N 0 0 319.365 0.270 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)C[C@H]1C(N)=O ZINC000285542645 131179883 /nfs/dbraw/zinc/17/98/83/131179883.db2.gz OHACTBQMHFHMMY-DEKYYXRVSA-N 0 0 304.346 0.795 10 0 DCAERN O=C(CNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)NCC(F)(F)F ZINC000366653414 131300448 /nfs/dbraw/zinc/30/04/48/131300448.db2.gz MXNULDVPYFZPGU-VHSXEESVSA-N 0 0 323.315 0.733 10 0 DCAERN CCNC(=O)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408168019 285491184 /nfs/dbraw/zinc/49/11/84/285491184.db2.gz ZQNQEQAEJHRFOE-YPMHNXCESA-N 0 0 307.394 0.515 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000291781712 131599889 /nfs/dbraw/zinc/59/98/89/131599889.db2.gz AHGAZSLDPLAMHG-NSHDSACASA-N 0 0 317.345 0.930 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCC(=O)NC1CCCC1 ZINC000120392586 132142052 /nfs/dbraw/zinc/14/20/52/132142052.db2.gz FDCWMVDAZILYFK-VXGBXAGGSA-N 0 0 309.410 0.938 10 0 DCAERN COC(=O)CSc1nnc(N)n1CC(=O)Nc1ccccc1 ZINC000001923454 395681279 /nfs/dbraw/zinc/68/12/79/395681279.db2.gz LYMKMMTXXHOVSM-UHFFFAOYSA-N 0 0 321.362 0.764 10 0 DCAERN OC[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@H](O)[C@H](O)[C@H]1O ZINC000002539725 395681509 /nfs/dbraw/zinc/68/15/09/395681509.db2.gz CVAOQMBKGUKOIZ-AALSBFMBSA-N 0 0 306.314 0.019 10 0 DCAERN OC[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O ZINC000002539723 395681528 /nfs/dbraw/zinc/68/15/28/395681528.db2.gz CVAOQMBKGUKOIZ-CQJMVSDSSA-N 0 0 306.314 0.019 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000085376682 395700039 /nfs/dbraw/zinc/70/00/39/395700039.db2.gz UBPLVECUQWMLOI-QWHCGFSZSA-N 0 0 306.387 0.795 10 0 DCAERN CC(C)C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N1CCOCC1 ZINC000030603885 395703637 /nfs/dbraw/zinc/70/36/37/395703637.db2.gz PJPHHJCZKUNFPB-OAHLLOKOSA-N 0 0 321.421 0.862 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)NNC(=O)[C@H]1CCCO1 ZINC000032258884 395709881 /nfs/dbraw/zinc/70/98/81/395709881.db2.gz PONUVTGFYUSWLM-JWAFFJSPSA-N 0 0 317.345 0.490 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H]1O ZINC000089408411 395710927 /nfs/dbraw/zinc/71/09/27/395710927.db2.gz KINFNNIACFRCCN-SMDDNHRTSA-N 0 0 301.346 0.626 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000089429459 395711686 /nfs/dbraw/zinc/71/16/86/395711686.db2.gz XFFUHVZDQOBLPQ-SCZZXKLOSA-N 0 0 305.334 0.678 10 0 DCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCC1CC1 ZINC000027894407 395695401 /nfs/dbraw/zinc/69/54/01/395695401.db2.gz YZXGZLHMGKGCLT-JTQLQIEISA-N 0 0 323.418 0.611 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCOCCOCCOCCO ZINC000038229835 395732088 /nfs/dbraw/zinc/73/20/88/395732088.db2.gz XHRYVVRJTOXWEM-UHFFFAOYSA-N 0 0 323.345 0.325 10 0 DCAERN CCOC(=O)[C@H](Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000040174111 395732828 /nfs/dbraw/zinc/73/28/28/395732828.db2.gz DYBKBWNDFKQQIP-KBPBESRZSA-N 0 0 311.403 0.938 10 0 DCAERN NC(=O)c1ccc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1 ZINC000091480973 395725377 /nfs/dbraw/zinc/72/53/77/395725377.db2.gz ISSGKGHYKCMDQI-SNVBAGLBSA-N 0 0 317.324 0.471 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000091627933 395726424 /nfs/dbraw/zinc/72/64/24/395726424.db2.gz IORRINYCZBHAQQ-SNVBAGLBSA-N 0 0 313.365 0.886 10 0 DCAERN Cc1cccc2c(CC(=O)N3CCOC[C@@H]3C(N)=O)c[nH]c21 ZINC000091783668 395727856 /nfs/dbraw/zinc/72/78/56/395727856.db2.gz LQMGBFVAWPUFCX-CYBMUJFWSA-N 0 0 301.346 0.732 10 0 DCAERN C[C@H]1OCC[C@@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000092449805 395731127 /nfs/dbraw/zinc/73/11/27/395731127.db2.gz SJKOMENGXNCONA-NEPJUHHUSA-N 0 0 302.440 0.371 10 0 DCAERN O=C1N[C@@]2(C(=O)Nc3cc(F)c(Cl)cc32)N2CCOC[C@H]12 ZINC000093885468 395739524 /nfs/dbraw/zinc/73/95/24/395739524.db2.gz TYCCUFUJDKAEBK-ZWNOBZJWSA-N 0 0 311.700 0.415 10 0 DCAERN CCn1nc(C(=O)N2CCN(C)CC2)c(=O)c2ccccc21 ZINC000040790258 395734823 /nfs/dbraw/zinc/73/48/23/395734823.db2.gz NFPDMFFOXVRJNO-UHFFFAOYSA-N 0 0 300.362 0.804 10 0 DCAERN CSCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000042010966 395741562 /nfs/dbraw/zinc/74/15/62/395741562.db2.gz UOYDTCRURZFGGG-UHFFFAOYSA-N 0 0 302.421 0.916 10 0 DCAERN COC(=O)CCN(CC(=O)NC(C)(C)C)C[C@H]1CCCO1 ZINC000096593158 395754567 /nfs/dbraw/zinc/75/45/67/395754567.db2.gz KSBSLASUCPICCQ-GFCCVEGCSA-N 0 0 300.399 0.945 10 0 DCAERN Cc1cc(C)cc(-n2ncc(C(=O)NC(C)(C)C(N)=O)n2)c1 ZINC000097237633 395756432 /nfs/dbraw/zinc/75/64/32/395756432.db2.gz AVVIKSATYPEPAV-UHFFFAOYSA-N 0 0 301.350 0.878 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(N)=O)CC2=O)cc1 ZINC000044646469 395757714 /nfs/dbraw/zinc/75/77/14/395757714.db2.gz XRZDXURWDXKFHT-TZMCWYRMSA-N 0 0 315.373 0.824 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)n1cccn1 ZINC000044689995 395758124 /nfs/dbraw/zinc/75/81/24/395758124.db2.gz VEIUKRXZKKMBIB-UONOGXRCSA-N 0 0 320.393 0.542 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(CCO)CC(F)F ZINC000193835322 395780466 /nfs/dbraw/zinc/78/04/66/395780466.db2.gz VUNVYPJJSFPAHG-UHFFFAOYSA-N 0 0 304.297 0.318 10 0 DCAERN NC(=O)NC(=O)CN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108389202 395788785 /nfs/dbraw/zinc/78/87/85/395788785.db2.gz LLMMXYCSDYKPNW-CQSZACIVSA-N 0 0 309.341 0.766 10 0 DCAERN COC(=O)[C@@H](C)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000045854755 395767268 /nfs/dbraw/zinc/76/72/68/395767268.db2.gz ZSMBWVXVONPRSD-NSHDSACASA-N 0 0 317.345 0.664 10 0 DCAERN COCCNC(=O)CN1CCN(C(=O)NCC(C)(C)C)CC1 ZINC000193575937 395773080 /nfs/dbraw/zinc/77/30/80/395773080.db2.gz HNPNPHOVIRAMDT-UHFFFAOYSA-N 0 0 314.430 0.122 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000104035745 395777087 /nfs/dbraw/zinc/77/70/87/395777087.db2.gz IJIDFCTUHZTURB-ZWNOBZJWSA-N 0 0 318.377 0.866 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000194695394 395804522 /nfs/dbraw/zinc/80/45/22/395804522.db2.gz JBBKMRDBCMYZJI-AWEZNQCLSA-N 0 0 307.369 0.695 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000111345170 395807718 /nfs/dbraw/zinc/80/77/18/395807718.db2.gz PJLISIQSHYOXAB-LBPRGKRZSA-N 0 0 302.400 0.007 10 0 DCAERN CCCn1nccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000194769470 395807695 /nfs/dbraw/zinc/80/76/95/395807695.db2.gz WKOOXTBYCXTOCC-LBPRGKRZSA-N 0 0 311.386 0.108 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@]1(O)CCSC1 ZINC000270785580 395808128 /nfs/dbraw/zinc/80/81/28/395808128.db2.gz KOKRNFPSDABEQD-RISCZKNCSA-N 0 0 308.407 0.430 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000194795897 395808228 /nfs/dbraw/zinc/80/82/28/395808228.db2.gz PXFMFPYWJMKGTF-DTWKUNHWSA-N 0 0 308.363 0.209 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194859949 395810534 /nfs/dbraw/zinc/81/05/34/395810534.db2.gz ZSQFVIHHFCVUKS-LBPRGKRZSA-N 0 0 313.361 0.571 10 0 DCAERN COCCOCCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000194927657 395811872 /nfs/dbraw/zinc/81/18/72/395811872.db2.gz OZDHPLXJJOHBFZ-UHFFFAOYSA-N 0 0 300.330 0.780 10 0 DCAERN NC(=O)N1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000111688386 395812460 /nfs/dbraw/zinc/81/24/60/395812460.db2.gz LAJPMAQWMIPLTR-UONOGXRCSA-N 0 0 324.425 0.243 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000112294504 395815579 /nfs/dbraw/zinc/81/55/79/395815579.db2.gz OKWCLDFUBDFFSU-GFCCVEGCSA-N 0 0 310.398 0.266 10 0 DCAERN COc1ccnc(NC2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000195163617 395818668 /nfs/dbraw/zinc/81/86/68/395818668.db2.gz WIJUWUFETPSYBD-UHFFFAOYSA-N 0 0 305.382 0.640 10 0 DCAERN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N(C)C1CC1 ZINC000112976190 395826680 /nfs/dbraw/zinc/82/66/80/395826680.db2.gz DVRAJCIZAFPINK-SNVBAGLBSA-N 0 0 323.418 0.706 10 0 DCAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000113298841 395829423 /nfs/dbraw/zinc/82/94/23/395829423.db2.gz RFETXZGYBOOLNJ-VIFPVBQESA-N 0 0 314.317 0.850 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000195492620 395829672 /nfs/dbraw/zinc/82/96/72/395829672.db2.gz YSPYHOQYPPQKHW-QWHCGFSZSA-N 0 0 309.410 0.620 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000049240805 395829942 /nfs/dbraw/zinc/82/99/42/395829942.db2.gz PXAUGEXLTPVTNQ-NSHDSACASA-N 0 0 304.318 0.864 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC(c2cnn(CC)c2)CC1 ZINC000195500367 395830038 /nfs/dbraw/zinc/83/00/38/395830038.db2.gz VFABUUUTVADPRP-UHFFFAOYSA-N 0 0 307.398 0.928 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cscn1 ZINC000050405427 395838734 /nfs/dbraw/zinc/83/87/34/395838734.db2.gz QJKMZXXUALKIEK-SNVBAGLBSA-N 0 0 303.409 0.573 10 0 DCAERN CN(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412645 395839811 /nfs/dbraw/zinc/83/98/11/395839811.db2.gz UTQYLUSLBWECKQ-CABZTGNLSA-N 0 0 311.332 0.820 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000115715215 395840386 /nfs/dbraw/zinc/84/03/86/395840386.db2.gz CYCXLXICLCNLFU-GFCCVEGCSA-N 0 0 316.361 0.323 10 0 DCAERN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CN1CC(=O)NC1=O ZINC000115721027 395840936 /nfs/dbraw/zinc/84/09/36/395840936.db2.gz XPNKZHOBJHREIL-WCQYABFASA-N 0 0 301.346 0.943 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCNC(=O)C3CC3)C2)cn1 ZINC000116420842 395843663 /nfs/dbraw/zinc/84/36/63/395843663.db2.gz YBTLUCNQQCGJLJ-LBPRGKRZSA-N 0 0 305.382 0.445 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CNC(=O)C3)C2)n1 ZINC000116778195 395845471 /nfs/dbraw/zinc/84/54/71/395845471.db2.gz GUZRSEHXBLWPMA-OLZOCXBDSA-N 0 0 305.382 0.270 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000116832373 395847065 /nfs/dbraw/zinc/84/70/65/395847065.db2.gz ADPVYVDCHCYBCI-NSHDSACASA-N 0 0 314.432 0.929 10 0 DCAERN CCOc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116833104 395847081 /nfs/dbraw/zinc/84/70/81/395847081.db2.gz POFBWSLUJGTCLI-GFCCVEGCSA-N 0 0 312.391 0.849 10 0 DCAERN COc1ccccc1OCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116890176 395848530 /nfs/dbraw/zinc/84/85/30/395848530.db2.gz PPHRIJVDTOBRNN-GFCCVEGCSA-N 0 0 314.407 0.698 10 0 DCAERN COC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000051529680 395850910 /nfs/dbraw/zinc/85/09/10/395850910.db2.gz ANMHXLKNXZYRRL-CYBMUJFWSA-N 0 0 317.349 0.526 10 0 DCAERN CC[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(OC)c1 ZINC000117919780 395856055 /nfs/dbraw/zinc/85/60/55/395856055.db2.gz VWHQAKPRHVZXOP-CYBMUJFWSA-N 0 0 312.391 0.735 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133620 395861298 /nfs/dbraw/zinc/86/12/98/395861298.db2.gz ATFJBAGRCALFLP-UHFFFAOYSA-N 0 0 317.349 0.740 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnsn1 ZINC000109106653 395796110 /nfs/dbraw/zinc/79/61/10/395796110.db2.gz FZWTZLMREWAKAG-NSHDSACASA-N 0 0 304.375 0.967 10 0 DCAERN CCN1CCO[C@@H](C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000194526698 395799045 /nfs/dbraw/zinc/79/90/45/395799045.db2.gz QAKCNLGXOJBZQI-CQSZACIVSA-N 0 0 315.377 0.986 10 0 DCAERN CN1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1=O ZINC000122547424 395887424 /nfs/dbraw/zinc/88/74/24/395887424.db2.gz YBJLKBFSWASUPA-MRVPVSSYSA-N 0 0 323.296 0.609 10 0 DCAERN COC(=O)c1nc(N2CCCS(=O)(=O)CC2)sc1C ZINC000234609786 395889295 /nfs/dbraw/zinc/88/92/95/395889295.db2.gz QPOPCYJGNQPJSJ-UHFFFAOYSA-N 0 0 304.393 0.863 10 0 DCAERN CC(C)[C@@H](C(=O)N1CC(CO)C1)n1nnc(-c2ccccc2)n1 ZINC000122762063 395889835 /nfs/dbraw/zinc/88/98/35/395889835.db2.gz KVSCDYGAIUSKPM-AWEZNQCLSA-N 0 0 315.377 0.988 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCn1ccnc1 ZINC000234618095 395890041 /nfs/dbraw/zinc/89/00/41/395890041.db2.gz ZIZYLYJIWFHPIB-WDEREUQCSA-N 0 0 301.368 0.144 10 0 DCAERN CN1C[C@@H](NC(=O)COCCOc2ccccc2)CCC1=O ZINC000133666269 395929455 /nfs/dbraw/zinc/92/94/55/395929455.db2.gz IAXWYROCPHVHEY-ZDUSSCGKSA-N 0 0 306.362 0.819 10 0 DCAERN CC1(C)C[C@H](NC(=O)Cn2cnc3c2ncnc3N)C(C)(C)O1 ZINC000272535125 395897985 /nfs/dbraw/zinc/89/79/85/395897985.db2.gz UKGPFGLSBXZNPR-VIFPVBQESA-N 0 0 318.381 0.871 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000123956077 395899496 /nfs/dbraw/zinc/89/94/96/395899496.db2.gz UHKMWDNADHQTSX-SNVBAGLBSA-N 0 0 323.296 0.916 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000245457895 395929827 /nfs/dbraw/zinc/92/98/27/395929827.db2.gz KDABWGFPACGNOH-ZIAGYGMSSA-N 0 0 303.362 0.017 10 0 DCAERN O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccsc1 ZINC000124676078 395901536 /nfs/dbraw/zinc/90/15/36/395901536.db2.gz ZEJSDTWRBVHLTB-GFCCVEGCSA-N 0 0 311.407 0.650 10 0 DCAERN O=C(CN1CCc2n[nH]cc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000125777459 395905623 /nfs/dbraw/zinc/90/56/23/395905623.db2.gz RNMYFRGRSFNRKS-LSDHHAIUSA-N 0 0 304.394 0.938 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)Nc1nc(C(N)=O)cs1 ZINC000125813960 395906408 /nfs/dbraw/zinc/90/64/08/395906408.db2.gz JAKQDAVBKUMKAA-UHFFFAOYSA-N 0 0 318.358 0.919 10 0 DCAERN CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1COCCN1 ZINC000237201713 395907076 /nfs/dbraw/zinc/90/70/76/395907076.db2.gz RTYPLBJZSDRZRX-OAHLLOKOSA-N 0 0 314.389 0.878 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)CN1C1CC1 ZINC000127977421 395916591 /nfs/dbraw/zinc/91/65/91/395916591.db2.gz WQRZTUCOPJDGEJ-IJLUTSLNSA-N 0 0 315.439 0.440 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000130072448 395921788 /nfs/dbraw/zinc/92/17/88/395921788.db2.gz NBXVXKAGVBBWDN-CQSZACIVSA-N 0 0 318.421 0.449 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000056017309 395925628 /nfs/dbraw/zinc/92/56/28/395925628.db2.gz BTBJDKQBOVEZEW-GXSJLCMTSA-N 0 0 317.345 0.744 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000052291986 395862097 /nfs/dbraw/zinc/86/20/97/395862097.db2.gz JFIJSBLFNHNYEZ-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN O=C(CNC(=O)CN1CCCCCC1=O)NCc1ccco1 ZINC000052568668 395865512 /nfs/dbraw/zinc/86/55/12/395865512.db2.gz OXHHCCADCWPGJP-UHFFFAOYSA-N 0 0 307.350 0.415 10 0 DCAERN Cc1nn(C)c(OCC(F)(F)F)c1CN1CCNC(=O)CC1 ZINC000119232745 395867746 /nfs/dbraw/zinc/86/77/46/395867746.db2.gz KHDDWOHMTLRZQW-UHFFFAOYSA-N 0 0 320.315 0.992 10 0 DCAERN CC[C@H](C)[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000119385073 395870629 /nfs/dbraw/zinc/87/06/29/395870629.db2.gz BCWPQPPBJBYAFJ-GXFFZTMASA-N 0 0 314.407 0.732 10 0 DCAERN COc1ccncc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000119643941 395874045 /nfs/dbraw/zinc/87/40/45/395874045.db2.gz OEFLXGNSDJYNIA-UHFFFAOYSA-N 0 0 304.350 0.335 10 0 DCAERN O[C@@H](CNc1nnc(-c2ccccn2)s1)CN1CCOCC1 ZINC000273549835 395928815 /nfs/dbraw/zinc/92/88/15/395928815.db2.gz AESABQMFPXWTHO-NSHDSACASA-N 0 0 321.406 0.705 10 0 DCAERN OCCOCCCNc1ncc(I)cn1 ZINC000231719010 395885797 /nfs/dbraw/zinc/88/57/97/395885797.db2.gz WQRBBUDWBGWHBF-UHFFFAOYSA-N 0 0 323.134 0.892 10 0 DCAERN CC(C)[C@H](NC(=O)NCc1cccnc1-n1ccnc1)C(N)=O ZINC000134690493 395933734 /nfs/dbraw/zinc/93/37/34/395933734.db2.gz KCXCBFWHBFAWFH-LBPRGKRZSA-N 0 0 316.365 0.576 10 0 DCAERN CC(C)(C)c1ccc(OCC(=O)NCCS(N)(=O)=O)cc1 ZINC000056850519 395934072 /nfs/dbraw/zinc/93/40/72/395934072.db2.gz DQMCXFOOLJYOQN-UHFFFAOYSA-N 0 0 314.407 0.768 10 0 DCAERN CCc1cc(NC(=O)CSCC(=O)N2CCOCC2)n[nH]1 ZINC000134738733 395934790 /nfs/dbraw/zinc/93/47/90/395934790.db2.gz AFZJSHPNNIAPOW-UHFFFAOYSA-N 0 0 312.395 0.503 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCNS(C)(=O)=O ZINC000245924401 395938564 /nfs/dbraw/zinc/93/85/64/395938564.db2.gz NPZDLSKBTLZZKM-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCO[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000135359931 395939355 /nfs/dbraw/zinc/93/93/55/395939355.db2.gz NMMRYKWMKHXQBG-WPRPVWTQSA-N 0 0 316.379 0.746 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135311936 395939747 /nfs/dbraw/zinc/93/97/47/395939747.db2.gz GNOAFRAYILKWTQ-GFCCVEGCSA-N 0 0 319.409 0.724 10 0 DCAERN Cc1ccn2ncc(C(=O)Nc3nc(C(N)=O)cs3)c2n1 ZINC000135763445 395941980 /nfs/dbraw/zinc/94/19/80/395941980.db2.gz AGRPONGKFKLDIC-UHFFFAOYSA-N 0 0 302.319 0.845 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)[C@H](C)CC ZINC000246231091 395944664 /nfs/dbraw/zinc/94/46/64/395944664.db2.gz JXHWPWDERPKWSL-UPJWGTAASA-N 0 0 320.455 0.714 10 0 DCAERN C[C@@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428223 395949988 /nfs/dbraw/zinc/94/99/88/395949988.db2.gz LARVBZPQZOAYLH-TZMCWYRMSA-N 0 0 305.426 0.845 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000246442621 395950029 /nfs/dbraw/zinc/95/00/29/395950029.db2.gz BLPXQYXMQCDATE-RWMBFGLXSA-N 0 0 318.439 0.325 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000274461720 395950568 /nfs/dbraw/zinc/95/05/68/395950568.db2.gz KNSIKRMQYQNROZ-LLVKDONJSA-N 0 0 300.384 0.048 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553402 395952773 /nfs/dbraw/zinc/95/27/73/395952773.db2.gz YLEPMXGHYFJEOH-ZIAGYGMSSA-N 0 0 311.357 0.489 10 0 DCAERN COCO[C@@H]([C@H]1COC(C)(C)O1)[C@@H]1OC(C)(C)O[C@H]1CO ZINC000139253703 395953584 /nfs/dbraw/zinc/95/35/84/395953584.db2.gz ZLKZIPWYQXKIMF-WHOHXGKFSA-N 0 0 306.355 0.639 10 0 DCAERN CCOCCN1CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659027 395954915 /nfs/dbraw/zinc/95/49/15/395954915.db2.gz WCRKFFQAQXEVNW-UONOGXRCSA-N 0 0 306.472 0.710 10 0 DCAERN CN(C1CCN(CC(=O)NC(C)(C)C)CC1)S(C)(=O)=O ZINC000058922921 395957744 /nfs/dbraw/zinc/95/77/44/395957744.db2.gz PTFIYSYYHLRCHS-UHFFFAOYSA-N 0 0 305.444 0.257 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CCn1nnc2ccccc2c1=O ZINC000058963148 395958343 /nfs/dbraw/zinc/95/83/43/395958343.db2.gz DAYUBMCFQGVAQE-LBPRGKRZSA-N 0 0 316.361 0.819 10 0 DCAERN Cc1cn(-c2ccc3n(c2=O)CCN([C@H](C)[C@H](C)O)C3=O)cn1 ZINC000144520032 395963268 /nfs/dbraw/zinc/96/32/68/395963268.db2.gz RWNCXMGICOIFAI-NEPJUHHUSA-N 0 0 316.361 0.568 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOc3ccccc32)CC1 ZINC000060856988 395965010 /nfs/dbraw/zinc/96/50/10/395965010.db2.gz SJIJZCZVVYONMT-UHFFFAOYSA-N 0 0 303.362 0.576 10 0 DCAERN CCN(C[C@@H](O)CN1CCCC1=O)[C@H](C)CS(=O)(=O)CC ZINC000247085720 395965341 /nfs/dbraw/zinc/96/53/41/395965341.db2.gz HZGMIJDUVKKTFG-CHWSQXEVSA-N 0 0 320.455 0.115 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000247208373 395968478 /nfs/dbraw/zinc/96/84/78/395968478.db2.gz UZTAUMJQGHALPV-WDEREUQCSA-N 0 0 309.332 0.460 10 0 DCAERN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243751 395969886 /nfs/dbraw/zinc/96/98/86/395969886.db2.gz SPCWPQUGWBHZST-CHWSQXEVSA-N 0 0 322.409 0.760 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150878090 395974006 /nfs/dbraw/zinc/97/40/06/395974006.db2.gz HDEHMEHCSXPNKU-UHFFFAOYSA-N 0 0 315.337 0.262 10 0 DCAERN C[C@@H](NCCN1C(=O)CNC1=O)c1cn(-c2ccccc2)nn1 ZINC000150940614 395976354 /nfs/dbraw/zinc/97/63/54/395976354.db2.gz CPUYQTAGAHMWSX-LLVKDONJSA-N 0 0 314.349 0.470 10 0 DCAERN C[C@H]1CN(C[C@H](O)COc2ccccc2F)CCS1(=O)=O ZINC000151055055 395978006 /nfs/dbraw/zinc/97/80/06/395978006.db2.gz YUYJKZMEMIFHTQ-RYUDHWBXSA-N 0 0 317.382 0.684 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)CC ZINC000151075334 395978030 /nfs/dbraw/zinc/97/80/30/395978030.db2.gz TWYDKZGERFDAMQ-SECBINFHSA-N 0 0 300.384 0.226 10 0 DCAERN C[C@@H]1CN([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343741 395984470 /nfs/dbraw/zinc/98/44/70/395984470.db2.gz KRHRGQHSPOMHQB-VXGBXAGGSA-N 0 0 313.423 0.801 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000248482027 395988784 /nfs/dbraw/zinc/98/87/84/395988784.db2.gz SYTRLMNEIKDMNB-DMDPSCGWSA-N 0 0 302.396 0.979 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000151619720 395989121 /nfs/dbraw/zinc/98/91/21/395989121.db2.gz BUOYYQSVCFRSGZ-STQMWFEESA-N 0 0 312.410 0.681 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248572505 395989955 /nfs/dbraw/zinc/98/99/55/395989955.db2.gz GLICCVHSGHTYJZ-CKEIUWERSA-N 0 0 323.437 0.886 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CCCN(c3cn[nH]c(=O)c3)C2)CC1 ZINC000065313555 395991947 /nfs/dbraw/zinc/99/19/47/395991947.db2.gz RKKIARKBZWDKQD-CYBMUJFWSA-N 0 0 319.409 0.150 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000151912789 395996636 /nfs/dbraw/zinc/99/66/36/395996636.db2.gz DPTVFMOHBISUES-XJKSGUPXSA-N 0 0 320.389 0.788 10 0 DCAERN CCn1cc([C@@H]2CN([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248803001 395997370 /nfs/dbraw/zinc/99/73/70/395997370.db2.gz QUVKJTLENPMUMG-ZBFHGGJFSA-N 0 0 308.426 0.997 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000252802619 396024920 /nfs/dbraw/zinc/02/49/20/396024920.db2.gz PIYFZUGBXSWVIM-RDBSUJKOSA-N 0 0 309.410 0.354 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1CO ZINC000253408649 396027192 /nfs/dbraw/zinc/02/71/92/396027192.db2.gz KYLFHHBYVOEVEW-WCQYABFASA-N 0 0 310.781 0.695 10 0 DCAERN Cc1ccccc1SCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154131325 396032098 /nfs/dbraw/zinc/03/20/98/396032098.db2.gz HHMQEEIWHLIQCZ-CQSZACIVSA-N 0 0 324.446 0.896 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000255116033 396032146 /nfs/dbraw/zinc/03/21/46/396032146.db2.gz NWXYSUIIPCRKHJ-AGIUHOORSA-N 0 0 321.421 0.890 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)cc1C ZINC000154121737 396032325 /nfs/dbraw/zinc/03/23/25/396032325.db2.gz ACHVULRXPMJAAZ-OAHLLOKOSA-N 0 0 322.405 0.492 10 0 DCAERN O=C(CCOc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000154128137 396032450 /nfs/dbraw/zinc/03/24/50/396032450.db2.gz HXPUEBXDYJCLSA-CQSZACIVSA-N 0 0 308.378 0.265 10 0 DCAERN COCc1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154151388 396033223 /nfs/dbraw/zinc/03/32/23/396033223.db2.gz VRYKFBZWPOCVGJ-HNNXBMFYSA-N 0 0 308.378 0.256 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1nsc(N(C)C)n1 ZINC000154290400 396036030 /nfs/dbraw/zinc/03/60/30/396036030.db2.gz KAMJTQARFUZXQQ-RKDXNWHRSA-N 0 0 306.457 0.858 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H](C)C2 ZINC000155245981 396048493 /nfs/dbraw/zinc/04/84/93/396048493.db2.gz KFDYMXHVMYDXSS-XHDPSFHLSA-N 0 0 317.389 0.549 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155374452 396050313 /nfs/dbraw/zinc/05/03/13/396050313.db2.gz ISWIFGFCIKLRCK-NSHDSACASA-N 0 0 316.448 0.792 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCS1(=O)=O ZINC000155388927 396050776 /nfs/dbraw/zinc/05/07/76/396050776.db2.gz UMUIJOPGFOYWQX-VIFPVBQESA-N 0 0 317.798 0.792 10 0 DCAERN CCN(CCc1nccs1)S(=O)(=O)N(C)CCOC ZINC000155407017 396051035 /nfs/dbraw/zinc/05/10/35/396051035.db2.gz YJIQHDQKHIAJNA-UHFFFAOYSA-N 0 0 307.441 0.831 10 0 DCAERN COc1ccc(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000155609692 396054728 /nfs/dbraw/zinc/05/47/28/396054728.db2.gz YOMIVEXWKIURBW-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN COCc1ccsc1C(=O)NCCC(=O)N1CCOCC1 ZINC000155918177 396059366 /nfs/dbraw/zinc/05/93/66/396059366.db2.gz QEEPHBDHNDBYNR-UHFFFAOYSA-N 0 0 312.391 0.873 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1cn(-c2ccccc2)nn1 ZINC000155963826 396060039 /nfs/dbraw/zinc/06/00/39/396060039.db2.gz YGPWIHIPPAANOO-NEPJUHHUSA-N 0 0 313.361 0.923 10 0 DCAERN COC(=O)CCCCNC(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000069245385 396073153 /nfs/dbraw/zinc/07/31/53/396073153.db2.gz FJUDWDJXECLGOM-UHFFFAOYSA-N 0 0 313.398 0.840 10 0 DCAERN CNS(=O)(=O)CCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158274779 396064123 /nfs/dbraw/zinc/06/41/23/396064123.db2.gz NWMKOIAPJVKHSZ-FRRDWIJNSA-N 0 0 306.428 0.194 10 0 DCAERN O=C(NCCS(=O)(=O)NCC1CCC1)Nc1nncs1 ZINC000069032525 396067961 /nfs/dbraw/zinc/06/79/61/396067961.db2.gz WDPFWXUSWCEMNS-UHFFFAOYSA-N 0 0 319.412 0.379 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@@H]1CO ZINC000249107427 396002560 /nfs/dbraw/zinc/00/25/60/396002560.db2.gz QRXOYHGPHVBAQA-VNHYZAJKSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@@H]1CN(C(=O)COc2ccccc2O)C[C@@H]1N1CCOCC1 ZINC000152315344 396005251 /nfs/dbraw/zinc/00/52/51/396005251.db2.gz BCVKFGLQVPLCLW-KGLIPLIRSA-N 0 0 320.389 0.950 10 0 DCAERN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000249290259 396005289 /nfs/dbraw/zinc/00/52/89/396005289.db2.gz KJDNYYCHLSQCRY-ILXRZTDVSA-N 0 0 308.353 0.573 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000276530537 396007717 /nfs/dbraw/zinc/00/77/17/396007717.db2.gz UTKOWIFETWTDJF-ZDUSSCGKSA-N 0 0 317.172 0.985 10 0 DCAERN CSCCCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152397922 396008304 /nfs/dbraw/zinc/00/83/04/396008304.db2.gz JXBSUOWNNABBQT-ZDUSSCGKSA-N 0 0 313.467 0.895 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000152688785 396014366 /nfs/dbraw/zinc/01/43/66/396014366.db2.gz ZVZJJGGRZMSSDP-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000251437387 396015466 /nfs/dbraw/zinc/01/54/66/396015466.db2.gz CCUJHYRLHXLBKB-GARJFASQSA-N 0 0 323.397 0.718 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CNC(C)=O)[C@H]1Oc1ccccc1 ZINC000251494682 396015472 /nfs/dbraw/zinc/01/54/72/396015472.db2.gz DFWYBWSEHJMEMK-IIAWOOMASA-N 0 0 306.362 0.864 10 0 DCAERN CCN1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C(=O)C1=O ZINC000152755164 396016117 /nfs/dbraw/zinc/01/61/17/396016117.db2.gz SYFFCVBGKWZLTP-ZIAGYGMSSA-N 0 0 321.421 0.858 10 0 DCAERN O=C(NCCCN1CCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276682823 396021237 /nfs/dbraw/zinc/02/12/37/396021237.db2.gz LKBWJCDSEKLCHU-JKSUJKDBSA-N 0 0 319.405 0.998 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@H](CO)OC(C)(C)C2)c1 ZINC000163621862 396086711 /nfs/dbraw/zinc/08/67/11/396086711.db2.gz SMCXLCHBSOUERU-SNVBAGLBSA-N 0 0 303.384 0.063 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)C1 ZINC000277792143 396087362 /nfs/dbraw/zinc/08/73/62/396087362.db2.gz VMLZYBXYHFBPTG-AWEZNQCLSA-N 0 0 319.409 0.292 10 0 DCAERN C[C@@H](c1onc(N)c1I)S(C)(=O)=O ZINC000168005452 396089325 /nfs/dbraw/zinc/08/93/25/396089325.db2.gz WKGLKNYWLABHMS-VKHMYHEASA-N 0 0 316.120 0.967 10 0 DCAERN C[C@H](CNC(=O)CCCCN1CCOCC1)N1CCOCC1 ZINC000170684552 396097259 /nfs/dbraw/zinc/09/72/59/396097259.db2.gz VCVCKJKJYGRRBX-OAHLLOKOSA-N 0 0 313.442 0.326 10 0 DCAERN COc1ccc(OC)c([C@H](C)NCc2nc(N)nc(N)n2)c1 ZINC000171141107 396109021 /nfs/dbraw/zinc/10/90/21/396109021.db2.gz VJHAVEXRICSJLZ-QMMMGPOBSA-N 0 0 304.354 0.904 10 0 DCAERN COCCN(Cc1noc(CN)n1)Cc1ccc2c(c1)OCO2 ZINC000262308222 396121453 /nfs/dbraw/zinc/12/14/53/396121453.db2.gz YNLPOSSNOUTNEX-UHFFFAOYSA-N 0 0 320.349 0.906 10 0 DCAERN CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000171706238 396122814 /nfs/dbraw/zinc/12/28/14/396122814.db2.gz ZOLQMEAXOOUQRE-CYBMUJFWSA-N 0 0 320.393 0.807 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)Nc3nncs3)C2=O)cn1 ZINC000172219312 396129190 /nfs/dbraw/zinc/12/91/90/396129190.db2.gz PADVZBYQNNQJMF-QMMMGPOBSA-N 0 0 307.339 0.199 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(OC)ccn3)CCO2)[nH]1 ZINC000173556587 396135454 /nfs/dbraw/zinc/13/54/54/396135454.db2.gz MTRXYPRNWLNYCU-LBPRGKRZSA-N 0 0 317.349 0.984 10 0 DCAERN CCN(CC(=O)Nc1ccccc1OC)Cc1noc(CN)n1 ZINC000261893307 396076433 /nfs/dbraw/zinc/07/64/33/396076433.db2.gz ZYZDRCCIOACILD-UHFFFAOYSA-N 0 0 319.365 0.998 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)CN2CSCC2=O)CC1 ZINC000162550483 396082084 /nfs/dbraw/zinc/08/20/84/396082084.db2.gz AYFSWVKOEPZOQW-UHFFFAOYSA-N 0 0 322.434 0.734 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@](C)(O)C3)C2)cn1 ZINC000162666056 396083104 /nfs/dbraw/zinc/08/31/04/396083104.db2.gz HXUKNJHEKRCIME-BBRMVZONSA-N 0 0 321.425 0.945 10 0 DCAERN Cn1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263216376 396206812 /nfs/dbraw/zinc/20/68/12/396206812.db2.gz KZHDPILTDMNOOL-LBPRGKRZSA-N 0 0 313.352 0.062 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)NCCC2CCCC2)cn1 ZINC000178775598 396209126 /nfs/dbraw/zinc/20/91/26/396209126.db2.gz XQNUAKCRTRHYNH-UHFFFAOYSA-N 0 0 321.381 0.264 10 0 DCAERN CN(CC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ncnc2nc[nH]c21 ZINC000077147807 396212932 /nfs/dbraw/zinc/21/29/32/396212932.db2.gz LXCVYWPWNXSUSM-QWRGUYRKSA-N 0 0 318.381 0.456 10 0 DCAERN CCOCCNC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000175958830 396147295 /nfs/dbraw/zinc/14/72/95/396147295.db2.gz QYCSCWNXKPCSOP-UHFFFAOYSA-N 0 0 307.398 0.506 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000279056063 396150250 /nfs/dbraw/zinc/15/02/50/396150250.db2.gz YLZPENRGKKVSRM-UNHDLIQDSA-N 0 0 324.450 0.996 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cnc2ccccc2n1 ZINC000176443015 396155895 /nfs/dbraw/zinc/15/58/95/396155895.db2.gz MJNBCYVANXCJGK-LBPRGKRZSA-N 0 0 316.361 0.053 10 0 DCAERN Cc1ccc([C@H](CNC(=O)c2cn[nH]n2)N2CCOCC2)s1 ZINC000176574382 396157387 /nfs/dbraw/zinc/15/73/87/396157387.db2.gz XOEUFLJXEBEMNA-LBPRGKRZSA-N 0 0 321.406 0.978 10 0 DCAERN O=S(=O)(Cc1cn2cc(Cl)ccc2n1)C[C@@H](O)CO ZINC000176708993 396159287 /nfs/dbraw/zinc/15/92/87/396159287.db2.gz AORIWXFHXVAAPD-JTQLQIEISA-N 0 0 304.755 0.256 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074197178 396161096 /nfs/dbraw/zinc/16/10/96/396161096.db2.gz OEOGYQAWIMDJRY-IUODEOHRSA-N 0 0 318.377 0.242 10 0 DCAERN O=C(Cc1cncnc1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000279258197 396161352 /nfs/dbraw/zinc/16/13/52/396161352.db2.gz SVDZJKYVNBVQOG-GFCCVEGCSA-N 0 0 306.391 0.447 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc[nH]n1 ZINC000177155205 396168442 /nfs/dbraw/zinc/16/84/42/396168442.db2.gz CIDCJZPUJPJJGA-UHFFFAOYSA-N 0 0 303.322 0.646 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H](O)C3)C2)cn1 ZINC000074612122 396168614 /nfs/dbraw/zinc/16/86/14/396168614.db2.gz FBVAKQZNQWAVQT-OCCSQVGLSA-N 0 0 307.398 0.555 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000177234452 396170405 /nfs/dbraw/zinc/17/04/05/396170405.db2.gz JYNSFZKLLYNZRN-JSGCOSHPSA-N 0 0 320.393 0.570 10 0 DCAERN O=C([C@H]1CSCCS1)N1CCO[C@H](Cn2cccn2)C1 ZINC000177280379 396170815 /nfs/dbraw/zinc/17/08/15/396170815.db2.gz PCXLJYHXWDCLDL-NWDGAFQWSA-N 0 0 313.448 0.959 10 0 DCAERN CNC(=O)c1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)nn1 ZINC000074744870 396171233 /nfs/dbraw/zinc/17/12/33/396171233.db2.gz LLVXYSRQJYPQJQ-MRVPVSSYSA-N 0 0 303.288 0.885 10 0 DCAERN O=C(Nc1cc(F)ccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177629089 396180272 /nfs/dbraw/zinc/18/02/72/396180272.db2.gz JGTYWMOIOZINIX-VIFPVBQESA-N 0 0 321.287 0.626 10 0 DCAERN C[C@@H](C(=O)NC(C)(C)C)N1CCCN(CC(=O)N(C)C)CC1 ZINC000075697785 396185061 /nfs/dbraw/zinc/18/50/61/396185061.db2.gz UFNUAJDACZOGTL-ZDUSSCGKSA-N 0 0 312.458 0.386 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279604073 396186361 /nfs/dbraw/zinc/18/63/61/396186361.db2.gz VXFYWFMNHANKKM-XNJJOIOASA-N 0 0 316.357 0.954 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1cccs1 ZINC000178280243 396193023 /nfs/dbraw/zinc/19/30/23/396193023.db2.gz WZBZZTZPWBYCGH-SNVBAGLBSA-N 0 0 320.436 0.881 10 0 DCAERN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H]1CCNC1=O ZINC000178282419 396193128 /nfs/dbraw/zinc/19/31/28/396193128.db2.gz QNSCGYAGXZTTIO-CQSZACIVSA-N 0 0 318.377 0.794 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(F)(F)CN1 ZINC000263015813 396197503 /nfs/dbraw/zinc/19/75/03/396197503.db2.gz QHDMVGXXYLKHBR-LLVKDONJSA-N 0 0 312.320 0.854 10 0 DCAERN O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CC(F)(F)CN1 ZINC000263036901 396199129 /nfs/dbraw/zinc/19/91/29/396199129.db2.gz SKKIJFQRPHWOQZ-LLVKDONJSA-N 0 0 323.299 0.396 10 0 DCAERN CS(=O)(=O)NCCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000178618302 396201215 /nfs/dbraw/zinc/20/12/15/396201215.db2.gz YFAHSWIOSWIDSI-UHFFFAOYSA-N 0 0 314.411 0.554 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(F)(F)CN3)C2)cn1 ZINC000263157131 396203554 /nfs/dbraw/zinc/20/35/54/396203554.db2.gz DNZIFAIJBYMVLI-JQWIXIFHSA-N 0 0 313.352 0.502 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)[C@H]2CCCc3n[nH]cc32)cn1 ZINC000181382362 396238668 /nfs/dbraw/zinc/23/86/68/396238668.db2.gz KKBCDLRGIFIPSH-SWLSCSKDSA-N 0 0 314.393 0.736 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ncncc2Cl)cn1 ZINC000181359016 396238797 /nfs/dbraw/zinc/23/87/97/396238797.db2.gz SVTMMTLRHAEXDS-NSHDSACASA-N 0 0 306.757 0.650 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCC[C@@H]1CCCCO1)c2=O ZINC000181617972 396240866 /nfs/dbraw/zinc/24/08/66/396240866.db2.gz FKQXTCRETSCEJB-NSHDSACASA-N 0 0 319.365 0.205 10 0 DCAERN CNC(=O)c1cccnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000078405084 396244072 /nfs/dbraw/zinc/24/40/72/396244072.db2.gz FUCDKUSHDKGXPV-ZDUSSCGKSA-N 0 0 304.394 0.600 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000281937674 396249688 /nfs/dbraw/zinc/24/96/88/396249688.db2.gz RKVWGSYJYWEXOU-HIFRSBDPSA-N 0 0 321.425 0.987 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cnc2c(cnn2C)c1OC ZINC000182626066 396252501 /nfs/dbraw/zinc/25/25/01/396252501.db2.gz WOHJIIRJBVYGJI-LLVKDONJSA-N 0 0 317.349 0.328 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)c1cccc(OCC(F)(F)F)n1 ZINC000182857020 396255934 /nfs/dbraw/zinc/25/59/34/396255934.db2.gz CCJIBRVLODZRTO-LBPRGKRZSA-N 0 0 320.267 0.904 10 0 DCAERN O=C(CCNC(=O)c1cccs1)NCCCn1ccnn1 ZINC000182934593 396256677 /nfs/dbraw/zinc/25/66/77/396256677.db2.gz UUJNGLKMFHZVDM-UHFFFAOYSA-N 0 0 307.379 0.666 10 0 DCAERN CO[C@@H](C)CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000183008365 396258303 /nfs/dbraw/zinc/25/83/03/396258303.db2.gz DSBWHLPEPUIDCX-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183093735 396261745 /nfs/dbraw/zinc/26/17/45/396261745.db2.gz QQLSNBQQKANTFG-ZWNOBZJWSA-N 0 0 304.350 0.218 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cccc(F)c1F ZINC000282080733 396261905 /nfs/dbraw/zinc/26/19/05/396261905.db2.gz RFPOIBDEOUGIRR-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1F ZINC000183363743 396268202 /nfs/dbraw/zinc/26/82/02/396268202.db2.gz KVKOZNABIFNQLP-JTQLQIEISA-N 0 0 320.317 0.148 10 0 DCAERN O=C(CNC(=O)NCCCn1ccnn1)Nc1cccnc1 ZINC000183555784 396271019 /nfs/dbraw/zinc/27/10/19/396271019.db2.gz DCISHHRFYXWVPX-UHFFFAOYSA-N 0 0 303.326 0.001 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)NCCCn3ccnn3)ccc21 ZINC000183644238 396272756 /nfs/dbraw/zinc/27/27/56/396272756.db2.gz SYPVVWXWCVJEFH-UHFFFAOYSA-N 0 0 316.321 0.935 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)CCC(C)C)n1 ZINC000183767877 396274459 /nfs/dbraw/zinc/27/44/59/396274459.db2.gz VOJQMONXFJLBDU-GFCCVEGCSA-N 0 0 324.381 0.830 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263311354 396213029 /nfs/dbraw/zinc/21/30/29/396213029.db2.gz YSRVALJLSMPBJN-MNOVXSKESA-N 0 0 311.336 0.559 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000077195937 396214450 /nfs/dbraw/zinc/21/44/50/396214450.db2.gz MJAXQESDNFHMLG-LBPRGKRZSA-N 0 0 318.377 0.167 10 0 DCAERN O=C(N[C@@H]1CCCOC1)[C@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000179163927 396223102 /nfs/dbraw/zinc/22/31/02/396223102.db2.gz JOQUUBBIAAHGHB-KBXIAJHMSA-N 0 0 324.421 0.993 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000080434192 396280817 /nfs/dbraw/zinc/28/08/17/396280817.db2.gz KGQXXAYKOCZRKL-LLVKDONJSA-N 0 0 318.377 0.751 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000077771937 396232924 /nfs/dbraw/zinc/23/29/24/396232924.db2.gz PJBKZKPYBGGPBY-STQMWFEESA-N 0 0 322.409 0.734 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000184936936 396311672 /nfs/dbraw/zinc/31/16/72/396311672.db2.gz AOTXOVIWGXXBII-CHWSQXEVSA-N 0 0 308.444 0.130 10 0 DCAERN Cn1nc(C(=O)NCCCN2CCCC2=O)cc1OC(F)F ZINC000184936395 396311811 /nfs/dbraw/zinc/31/18/11/396311811.db2.gz IYBFRVLECYMOAA-UHFFFAOYSA-N 0 0 316.308 0.764 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000185006063 396313865 /nfs/dbraw/zinc/31/38/65/396313865.db2.gz PIVFEDFURUCPRT-GWNMQOMSSA-N 0 0 302.371 0.884 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@H]1C)c1nnc2n1CCCC2 ZINC000185070416 396315805 /nfs/dbraw/zinc/31/58/05/396315805.db2.gz BWYJMEASQLYXKU-MNOVXSKESA-N 0 0 313.427 0.994 10 0 DCAERN COCc1nc(CN2CCN(c3cc(OC)ncn3)CC2)no1 ZINC000184084319 396284593 /nfs/dbraw/zinc/28/45/93/396284593.db2.gz UPQJBCOUJPQJDX-UHFFFAOYSA-N 0 0 320.353 0.337 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000184085951 396285466 /nfs/dbraw/zinc/28/54/66/396285466.db2.gz PAACQWUDTYAERI-SECBINFHSA-N 0 0 306.288 0.386 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CC(=O)N1C ZINC000282385568 396286578 /nfs/dbraw/zinc/28/65/78/396286578.db2.gz NYOZIMFHUREBBD-ZDUSSCGKSA-N 0 0 317.389 0.826 10 0 DCAERN CN1CCO[C@H](CNc2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000264514673 396286940 /nfs/dbraw/zinc/28/69/40/396286940.db2.gz OFNZKXOGVDYLEK-MRVPVSSYSA-N 0 0 316.287 0.886 10 0 DCAERN Cn1nnc2ccc(C(=O)NC(C)(C)CCS(C)(=O)=O)cc21 ZINC000184319551 396290327 /nfs/dbraw/zinc/29/03/27/396290327.db2.gz HUUUGWYRDTUBBN-UHFFFAOYSA-N 0 0 324.406 0.911 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)CC(=O)N1C ZINC000282606271 396291015 /nfs/dbraw/zinc/29/10/15/396291015.db2.gz QRXHGLQJPDELEZ-CMPLNLGQSA-N 0 0 305.382 0.670 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000184352756 396292183 /nfs/dbraw/zinc/29/21/83/396292183.db2.gz OSDDQBFTFKQQMI-GFCCVEGCSA-N 0 0 318.381 0.650 10 0 DCAERN Nc1ccccc1S(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000283002007 396297401 /nfs/dbraw/zinc/29/74/01/396297401.db2.gz CYPMPPVIVJMMGB-GFCCVEGCSA-N 0 0 309.391 0.748 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(CO)CCCC1 ZINC000185372933 396325977 /nfs/dbraw/zinc/32/59/77/396325977.db2.gz BPQOVEVMFRPOMG-CQSZACIVSA-N 0 0 313.442 0.949 10 0 DCAERN CCc1cnc(CNC(=O)N2CC(NC(=O)COC)C2)s1 ZINC000185555089 396330623 /nfs/dbraw/zinc/33/06/23/396330623.db2.gz WRGPNULZBDLQPP-UHFFFAOYSA-N 0 0 312.395 0.362 10 0 DCAERN C[C@H](O)c1nc2ccccc2n1Cc1nc(N)nc(N(C)C)n1 ZINC000185623808 396331804 /nfs/dbraw/zinc/33/18/04/396331804.db2.gz OVULZQIRVRMMCM-VIFPVBQESA-N 0 0 313.365 0.971 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185451283 396328459 /nfs/dbraw/zinc/32/84/59/396328459.db2.gz UDABKMQNWFXEMW-HTQZYQBOSA-N 0 0 316.308 0.748 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185904254 396336580 /nfs/dbraw/zinc/33/65/80/396336580.db2.gz VFCRORCHXUBDMM-LBPRGKRZSA-N 0 0 323.397 0.855 10 0 DCAERN Cn1cnc(CNC(=O)N2CCN(c3cccs3)C(=O)C2)n1 ZINC000185897340 396336713 /nfs/dbraw/zinc/33/67/13/396336713.db2.gz NQKABBAMLOQNIX-UHFFFAOYSA-N 0 0 320.378 0.435 10 0 DCAERN O=C(NC1CN(C(=O)NCCCn2ccnc2)C1)C1CCC1 ZINC000185956866 396337841 /nfs/dbraw/zinc/33/78/41/396337841.db2.gz UYONEFIWVSXODT-UHFFFAOYSA-N 0 0 305.382 0.583 10 0 DCAERN Cc1cc(NC(=O)CCN2CC(NC(=O)C3CCC3)C2)no1 ZINC000185935137 396337989 /nfs/dbraw/zinc/33/79/89/396337989.db2.gz HXONQXSODRTHSD-UHFFFAOYSA-N 0 0 306.366 0.912 10 0 DCAERN CN(CC(=O)N1CCO[C@@]2(CCOC2)C1)C(=O)c1cccs1 ZINC000186003376 396339314 /nfs/dbraw/zinc/33/93/14/396339314.db2.gz DMMIZBOVGLACDK-HNNXBMFYSA-N 0 0 324.402 0.838 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1cn(C)c2ccccc12 ZINC000185850859 396336053 /nfs/dbraw/zinc/33/60/53/396336053.db2.gz LJTVQBGLTUWTLG-XHDPSFHLSA-N 0 0 315.373 0.995 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000284750405 396346170 /nfs/dbraw/zinc/34/61/70/396346170.db2.gz NUQFJAXRTUWCJX-NSHDSACASA-N 0 0 304.393 0.057 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](OCCO)C1 ZINC000186193846 396343749 /nfs/dbraw/zinc/34/37/49/396343749.db2.gz SHIBWODSWCGSKA-CQSZACIVSA-N 0 0 320.389 0.725 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000186191365 396343887 /nfs/dbraw/zinc/34/38/87/396343887.db2.gz FMZZRUFSQRRFGF-CQSZACIVSA-N 0 0 322.409 0.503 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000186186739 396343928 /nfs/dbraw/zinc/34/39/28/396343928.db2.gz CDSMJOXJBPUGER-LLVKDONJSA-N 0 0 315.439 0.564 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000285792017 396354488 /nfs/dbraw/zinc/35/44/88/396354488.db2.gz FLDWPOUPVAZPJP-LSDHHAIUSA-N 0 0 320.393 0.512 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000186656921 396354610 /nfs/dbraw/zinc/35/46/10/396354610.db2.gz UHMOEKFOYKXXIN-JTQLQIEISA-N 0 0 320.436 0.875 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(C)CC(N)=O ZINC000186711144 396355912 /nfs/dbraw/zinc/35/59/12/396355912.db2.gz NMCUJWIBDDOTNR-UHFFFAOYSA-N 0 0 308.791 0.314 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000268133732 396358918 /nfs/dbraw/zinc/35/89/18/396358918.db2.gz UCALYTOIZCNKHS-YFKPBYRVSA-N 0 0 313.276 0.766 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)C(=O)N1CCCSCC1 ZINC000286093265 396374767 /nfs/dbraw/zinc/37/47/67/396374767.db2.gz UCBNHEKNSGXVHQ-UHFFFAOYSA-N 0 0 322.434 0.801 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000187278161 396366800 /nfs/dbraw/zinc/36/68/00/396366800.db2.gz FCWWMPCSWXUXLL-DOMZBBRYSA-N 0 0 318.377 0.196 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000187312897 396367191 /nfs/dbraw/zinc/36/71/91/396367191.db2.gz NFOQDIGWBQJXKN-NSHDSACASA-N 0 0 306.366 0.872 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCCOc2ccccc2C)C1 ZINC000286045719 396371290 /nfs/dbraw/zinc/37/12/90/396371290.db2.gz FDMRRCNWRSKKTL-KRWDZBQOSA-N 0 0 320.389 0.863 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285516251 396350644 /nfs/dbraw/zinc/35/06/44/396350644.db2.gz MYNZAOSFVPGWLR-JJRVBVJISA-N 0 0 302.374 0.937 10 0 DCAERN CN1CC[C@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)c2ccccc21 ZINC000188475698 396382464 /nfs/dbraw/zinc/38/24/64/396382464.db2.gz VOQYSRXTDOBODD-RDBSUJKOSA-N 0 0 319.405 0.747 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCc3c2cccc3O)C1 ZINC000286235030 396382555 /nfs/dbraw/zinc/38/25/55/396382555.db2.gz KONCQFLCQDIODN-PBHICJAKSA-N 0 0 318.373 0.869 10 0 DCAERN C[C@@H]1C(=O)Nc2cc(C(=O)N3CCO[C@H](CO)C3)ccc2N1C ZINC000269085150 396384592 /nfs/dbraw/zinc/38/45/92/396384592.db2.gz MAMOOEWCQINPCG-PWSUYJOCSA-N 0 0 319.361 0.297 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCO[C@H](CO)C1 ZINC000269091327 396385367 /nfs/dbraw/zinc/38/53/67/396385367.db2.gz UBBSTYCMQGJOQB-LBPRGKRZSA-N 0 0 306.362 0.889 10 0 DCAERN CC(C)c1nnc(CCC(=O)N2CCN(CCO)[C@H](C)C2)o1 ZINC000188781788 396386732 /nfs/dbraw/zinc/38/67/32/396386732.db2.gz PPRMQYRLMBZYFS-GFCCVEGCSA-N 0 0 310.398 0.651 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000188865588 396387664 /nfs/dbraw/zinc/38/76/64/396387664.db2.gz GOVVSRFEMRCEAG-ZWNOBZJWSA-N 0 0 302.330 0.505 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNC(=O)Cc1ccccc1 ZINC000188923522 396388408 /nfs/dbraw/zinc/38/84/08/396388408.db2.gz ZWLMZFVASLXMBU-CYBMUJFWSA-N 0 0 317.389 0.472 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCc1cc(F)cc(F)c1 ZINC000189276518 396392771 /nfs/dbraw/zinc/39/27/71/396392771.db2.gz YYHKXUCITJZDCA-SNVBAGLBSA-N 0 0 311.332 0.791 10 0 DCAERN CC(=O)Nc1ccc(NC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189328769 396394141 /nfs/dbraw/zinc/39/41/41/396394141.db2.gz PBGKPZIXHAXYJI-LLVKDONJSA-N 0 0 318.377 0.794 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCNC(=O)C(C)(C)C)CC2)n[nH]1 ZINC000189704623 396397846 /nfs/dbraw/zinc/39/78/46/396397846.db2.gz FXYAFUNZFWPVAQ-UHFFFAOYSA-N 0 0 321.425 0.919 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000189747474 396398072 /nfs/dbraw/zinc/39/80/72/396398072.db2.gz WSYNAHLIOXMYQV-SNVBAGLBSA-N 0 0 314.411 0.047 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3ccc(C(N)=O)nc3)CC2)n[nH]1 ZINC000189731076 396398465 /nfs/dbraw/zinc/39/84/65/396398465.db2.gz NXIINXASPHQQDA-UHFFFAOYSA-N 0 0 314.349 0.174 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCCN(C)C(=O)C1 ZINC000189773622 396398683 /nfs/dbraw/zinc/39/86/83/396398683.db2.gz JADHWOCZVDDYHM-UHFFFAOYSA-N 0 0 306.362 0.937 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1=O ZINC000189768753 396398972 /nfs/dbraw/zinc/39/89/72/396398972.db2.gz OPSJHVUDFFECCC-ZDUSSCGKSA-N 0 0 307.394 0.326 10 0 DCAERN CCN1CN(C(=O)NCCNC(=O)c2ccccc2F)CC1=O ZINC000190030149 396401432 /nfs/dbraw/zinc/40/14/32/396401432.db2.gz KTAVFCNKIZBBQR-UHFFFAOYSA-N 0 0 322.340 0.387 10 0 DCAERN CNC(=O)CN1CCN(c2ncnc3c(C)csc32)CC1 ZINC000189972851 396401475 /nfs/dbraw/zinc/40/14/75/396401475.db2.gz ZVSQMDQPBJNIDT-UHFFFAOYSA-N 0 0 305.407 0.868 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000190145354 396402568 /nfs/dbraw/zinc/40/25/68/396402568.db2.gz MBOBJGQDIFOCSU-CHWSQXEVSA-N 0 0 319.409 0.904 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190237486 396403517 /nfs/dbraw/zinc/40/35/17/396403517.db2.gz YMSITODMJPMKKK-NEPJUHHUSA-N 0 0 323.397 0.984 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190354398 396405440 /nfs/dbraw/zinc/40/54/40/396405440.db2.gz NBSZLDXCZDVUBM-LBPRGKRZSA-N 0 0 306.362 0.637 10 0 DCAERN COc1cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)ccc1F ZINC000190476028 396406347 /nfs/dbraw/zinc/40/63/47/396406347.db2.gz SONLYJSUCXZILM-SNVBAGLBSA-N 0 0 302.327 0.473 10 0 DCAERN CCN1CN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1=O ZINC000190567498 396408453 /nfs/dbraw/zinc/40/84/53/396408453.db2.gz LWNOXMSSATVFTL-UHFFFAOYSA-N 0 0 319.409 0.280 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000190629195 396408899 /nfs/dbraw/zinc/40/88/99/396408899.db2.gz MSGWGQNKYPZOQG-UHFFFAOYSA-N 0 0 303.362 0.693 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000190674534 396409402 /nfs/dbraw/zinc/40/94/02/396409402.db2.gz OEZXRPKTQQBACE-MRVPVSSYSA-N 0 0 311.288 0.640 10 0 DCAERN CC(C)[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CO)C1)N1CCOCC1 ZINC000190780773 396411288 /nfs/dbraw/zinc/41/12/88/396411288.db2.gz NMTIOGRQDWQXDM-QLFBSQMISA-N 0 0 313.442 0.613 10 0 DCAERN CCn1cc([C@H]2CN(CCNS(=O)(=O)CC)CCO2)cn1 ZINC000190814429 396412004 /nfs/dbraw/zinc/41/20/04/396412004.db2.gz OZVBLOLDOBOUFF-CYBMUJFWSA-N 0 0 316.427 0.216 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)s1 ZINC000190860566 396412394 /nfs/dbraw/zinc/41/23/94/396412394.db2.gz LTRQQIMIIJJMAS-UHFFFAOYSA-N 0 0 324.406 0.896 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000190990393 396413668 /nfs/dbraw/zinc/41/36/68/396413668.db2.gz VRUHNYVXBWFWFO-MRVPVSSYSA-N 0 0 304.393 0.656 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000190989291 396413799 /nfs/dbraw/zinc/41/37/99/396413799.db2.gz FEDKAFQVXATNNY-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc(F)c1F ZINC000190989873 396414044 /nfs/dbraw/zinc/41/40/44/396414044.db2.gz KPLJGAVBVSOJHQ-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1cn2ccccc2n1 ZINC000191178353 396416836 /nfs/dbraw/zinc/41/68/36/396416836.db2.gz SDOUDNLBESKELX-LBPRGKRZSA-N 0 0 315.377 0.797 10 0 DCAERN COCCN1CCCN(C(=O)CCc2cnn(C)c2C)CC1=O ZINC000191258910 396417365 /nfs/dbraw/zinc/41/73/65/396417365.db2.gz YFMIDJVXGYWQBM-UHFFFAOYSA-N 0 0 322.409 0.368 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)[nH]1 ZINC000191502688 396420888 /nfs/dbraw/zinc/42/08/88/396420888.db2.gz FPOKTXRKKXGWJG-GFCCVEGCSA-N 0 0 319.409 0.942 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191545999 396421576 /nfs/dbraw/zinc/42/15/76/396421576.db2.gz LZNJJKQVQLIGRB-JTQLQIEISA-N 0 0 323.397 0.411 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000191582646 396421937 /nfs/dbraw/zinc/42/19/37/396421937.db2.gz POVSCIHCBZGGTL-LLVKDONJSA-N 0 0 301.350 0.864 10 0 DCAERN CCN1CN(CCOc2cccc(S(C)(=O)=O)c2)CC1=O ZINC000191577254 396421995 /nfs/dbraw/zinc/42/19/95/396421995.db2.gz FJUANXFEYWEOOY-UHFFFAOYSA-N 0 0 312.391 0.591 10 0 DCAERN CN(C)c1noc(CN2CCn3c(nnc3C(F)(F)F)C2)n1 ZINC000192726155 396436608 /nfs/dbraw/zinc/43/66/08/396436608.db2.gz KUSFHWQISQBRJN-UHFFFAOYSA-N 0 0 317.275 0.762 10 0 DCAERN OCCOc1cncc(N2CC(O)(c3ccc(F)cc3)C2)n1 ZINC000192786385 396437198 /nfs/dbraw/zinc/43/71/98/396437198.db2.gz AOJNNOACXIHXEM-UHFFFAOYSA-N 0 0 305.309 0.695 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)C(N)=O ZINC000192825282 396438927 /nfs/dbraw/zinc/43/89/27/396438927.db2.gz XIAFEUHQJUPVPT-JTQLQIEISA-N 0 0 304.350 0.918 10 0 DCAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@H](O)C1 ZINC000269728213 396440276 /nfs/dbraw/zinc/44/02/76/396440276.db2.gz QUBFRLQTTLTXJG-QMMMGPOBSA-N 0 0 319.766 0.867 10 0 DCAERN O=C(CN1CCCC1=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188084636 396378899 /nfs/dbraw/zinc/37/88/99/396378899.db2.gz NRUSUKAGGHRVIV-UHFFFAOYSA-N 0 0 317.393 0.558 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(Cn2cncn2)CC1 ZINC000188148425 396379546 /nfs/dbraw/zinc/37/95/46/396379546.db2.gz KZWKOTGFPJSWNU-UHFFFAOYSA-N 0 0 318.385 0.327 10 0 DCAERN O=C(N[C@@H]1CCCOCC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000515322597 396502664 /nfs/dbraw/zinc/50/26/64/396502664.db2.gz UMAYHVJTPXYDOD-KGLIPLIRSA-N 0 0 309.410 0.368 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000193388949 396450339 /nfs/dbraw/zinc/45/03/39/396450339.db2.gz HKCFXNGJPYEHBJ-GFCCVEGCSA-N 0 0 314.349 0.784 10 0 DCAERN COc1cc(C(=O)N2CC(n3ccnn3)C2)cc2c1OCCO2 ZINC000371619213 396472190 /nfs/dbraw/zinc/47/21/90/396472190.db2.gz PJLNZFUUKYYSIB-UHFFFAOYSA-N 0 0 316.317 0.755 10 0 DCAERN COc1cccc(CNC(=O)CN2CCN3CCOC[C@@H]3C2)c1 ZINC000371834882 396478176 /nfs/dbraw/zinc/47/81/76/396478176.db2.gz OAIXSTGNCVNZAM-HNNXBMFYSA-N 0 0 319.405 0.328 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000372077094 396486749 /nfs/dbraw/zinc/48/67/49/396486749.db2.gz OOGZHMCMGKTVPK-HNNXBMFYSA-N 0 0 301.346 0.290 10 0 DCAERN CC1(C)CCN(C(=O)c2cn3cccnc3n2)CCS1(=O)=O ZINC000580152631 396489540 /nfs/dbraw/zinc/48/95/40/396489540.db2.gz UTEVJFBYBHOEEZ-UHFFFAOYSA-N 0 0 322.390 0.769 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1cscn1 ZINC000594818295 396521156 /nfs/dbraw/zinc/52/11/56/396521156.db2.gz DZARVBMHXMVDBB-MRVPVSSYSA-N 0 0 307.397 0.533 10 0 DCAERN O=C(c1cn(Cc2cccs2)nn1)N1C[C@H](F)C[C@H]1CO ZINC000372554050 396526505 /nfs/dbraw/zinc/52/65/05/396526505.db2.gz CIUGJPUMJZGANL-ZJUUUORDSA-N 0 0 310.354 0.933 10 0 DCAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)cc1 ZINC000372670021 396536117 /nfs/dbraw/zinc/53/61/17/396536117.db2.gz DGBPKZDITJZCPS-NSHDSACASA-N 0 0 319.361 0.622 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCOC[C@H]1C1CC1 ZINC000373230386 396576287 /nfs/dbraw/zinc/57/62/87/396576287.db2.gz QEYVHJDFOLACTO-AWEZNQCLSA-N 0 0 303.362 0.369 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H](CO)c3ccccc32)C1 ZINC000293932461 396642760 /nfs/dbraw/zinc/64/27/60/396642760.db2.gz OGVCUTSZZFKQLF-SUMWQHHRSA-N 0 0 318.373 0.483 10 0 DCAERN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2nc(N)nc(N)n2)C1 ZINC000533483483 396604012 /nfs/dbraw/zinc/60/40/12/396604012.db2.gz LXELOHPOZUHQKO-SNVBAGLBSA-N 0 0 322.413 0.641 10 0 DCAERN CC(=O)N1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000373931185 396624683 /nfs/dbraw/zinc/62/46/83/396624683.db2.gz ASPNQGGHICEWHX-HZPDHXFCSA-N 0 0 323.437 0.711 10 0 DCAERN C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561014117 396628199 /nfs/dbraw/zinc/62/81/99/396628199.db2.gz JVLHGLDKCYCWKO-LLVKDONJSA-N 0 0 304.350 0.798 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000374007001 396630504 /nfs/dbraw/zinc/63/05/04/396630504.db2.gz ZIKIWZXXERCPLG-SECBINFHSA-N 0 0 316.354 0.724 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CC[C@@H]2c2ccccc2F)nn1 ZINC000374042476 396634593 /nfs/dbraw/zinc/63/45/93/396634593.db2.gz LRIBVCZGUDHYPR-GFCCVEGCSA-N 0 0 303.297 0.490 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374116993 396640286 /nfs/dbraw/zinc/64/02/86/396640286.db2.gz BIVLPCFBJDQQOL-ZDDJMSTPSA-N 0 0 311.407 0.033 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(C3CC3)C(=O)C2)CCOCC1 ZINC000586793495 396666084 /nfs/dbraw/zinc/66/60/84/396666084.db2.gz QLMRGRFOWYEWDO-UHFFFAOYSA-N 0 0 324.377 0.180 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC3(CCO3)CC2)cn1 ZINC000374479455 396666816 /nfs/dbraw/zinc/66/68/16/396666816.db2.gz PEKVJZPEFJDIIQ-UHFFFAOYSA-N 0 0 318.377 0.868 10 0 DCAERN NS(=O)(=O)c1cccc(N2C(=O)N[C@@H](CC3CC3)C2=O)c1 ZINC000562563528 396670399 /nfs/dbraw/zinc/67/03/99/396670399.db2.gz DCWUKQYBXUNEKM-NSHDSACASA-N 0 0 309.347 0.559 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000374693306 396681049 /nfs/dbraw/zinc/68/10/49/396681049.db2.gz WGJWSKLWUFKXOC-FPMFFAJLSA-N 0 0 321.377 0.487 10 0 DCAERN C[C@@H](O)c1cn(CC(=O)N2CCOc3cccc(F)c3C2)nn1 ZINC000374965270 396701613 /nfs/dbraw/zinc/70/16/13/396701613.db2.gz UMXUVVRQBXGTHT-SNVBAGLBSA-N 0 0 320.324 0.892 10 0 DCAERN O=C(c1ccc2c(c1)OCCO2)N1CCN2CCOC[C@H]2C1 ZINC000374964764 396701678 /nfs/dbraw/zinc/70/16/78/396701678.db2.gz RFBKUVZUQKBBJA-CYBMUJFWSA-N 0 0 304.346 0.614 10 0 DCAERN CN1CC[C@H](C(=O)N2CC(O)(c3ccc(F)cc3)C2)CC1=O ZINC000375016324 396704038 /nfs/dbraw/zinc/70/40/38/396704038.db2.gz KUFAKDJYVGUXNX-NSHDSACASA-N 0 0 306.337 0.724 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000375076651 396709812 /nfs/dbraw/zinc/70/98/12/396709812.db2.gz FJYSFWCAQIMCFD-RBSFLKMASA-N 0 0 323.437 0.424 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1 ZINC000375327624 396728043 /nfs/dbraw/zinc/72/80/43/396728043.db2.gz KELCABCIGLSLME-AWEZNQCLSA-N 0 0 324.402 0.726 10 0 DCAERN Cc1cnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nc1C ZINC000299753576 396714261 /nfs/dbraw/zinc/71/42/61/396714261.db2.gz YRSDDVRXZAXMCR-LLVKDONJSA-N 0 0 301.354 0.625 10 0 DCAERN CCc1nc2n(n1)C[C@@H](Nc1ccc(C(=O)NC)nn1)CC2 ZINC000301437924 396717047 /nfs/dbraw/zinc/71/70/47/396717047.db2.gz NEVSHDONIQOMOJ-VIFPVBQESA-N 0 0 301.354 0.417 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000375220160 396718270 /nfs/dbraw/zinc/71/82/70/396718270.db2.gz IWNLDVJYMJOMFZ-QWHCGFSZSA-N 0 0 303.428 0.122 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375238977 396721204 /nfs/dbraw/zinc/72/12/04/396721204.db2.gz STEIXSAJYVYEFT-CQSZACIVSA-N 0 0 317.389 0.731 10 0 DCAERN Cc1cc(C)n2nc(S(=O)(=O)Cc3ncccn3)nc2n1 ZINC000563346056 396722004 /nfs/dbraw/zinc/72/20/04/396722004.db2.gz IIUFZIKKEXHWHH-UHFFFAOYSA-N 0 0 304.335 0.505 10 0 DCAERN C[C@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)CCCO1 ZINC000589777772 396723970 /nfs/dbraw/zinc/72/39/70/396723970.db2.gz HAKTWISNZLVVPO-LBPRGKRZSA-N 0 0 319.427 0.232 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@H]2CCCO2)CC[S@]1=O ZINC000562368590 396659814 /nfs/dbraw/zinc/65/98/14/396659814.db2.gz FOHKVVFNQVGGOL-MWBIGIAMSA-N 0 0 305.440 0.386 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CC[C@@H](O)C1 ZINC000304462081 396730936 /nfs/dbraw/zinc/73/09/36/396730936.db2.gz BLYDXSKIJWJLQG-TVQRCGJNSA-N 0 0 310.300 0.911 10 0 DCAERN CCN([C@H]1CCOC1)S(=O)(=O)c1scnc1C(=O)OC ZINC000312864964 396768256 /nfs/dbraw/zinc/76/82/56/396768256.db2.gz XTNLBOBYVGQJCJ-QMMMGPOBSA-N 0 0 320.392 0.729 10 0 DCAERN Cn1cnnc1[C@H]1CN(C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625348 396823980 /nfs/dbraw/zinc/82/39/80/396823980.db2.gz DAEGQFOPXLCSTI-UKRRQHHQSA-N 0 0 318.377 0.628 10 0 DCAERN CN1CCN(C(=O)Nc2ccncc2F)C[C@H]1c1ncc[nH]1 ZINC000328626953 396824191 /nfs/dbraw/zinc/82/41/91/396824191.db2.gz MGBIHUCRDHEQFC-LBPRGKRZSA-N 0 0 304.329 0.886 10 0 DCAERN Cc1nnc(CN(C)[C@H]2CN(Cc3cnc(C)s3)C[C@H]2O)o1 ZINC000328626536 396824325 /nfs/dbraw/zinc/82/43/25/396824325.db2.gz FEVBHZUPFNNZOJ-QWHCGFSZSA-N 0 0 323.422 0.820 10 0 DCAERN CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1c1nccn1C ZINC000328630285 396826869 /nfs/dbraw/zinc/82/68/69/396826869.db2.gz PSSGRWKATDEEQF-SWLSCSKDSA-N 0 0 324.450 0.493 10 0 DCAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)C[C@H]2CCCCO2)C1 ZINC000328641644 396829200 /nfs/dbraw/zinc/82/92/00/396829200.db2.gz QRJBFCYBMILOPS-OLZOCXBDSA-N 0 0 313.398 0.640 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1c1nccn1C ZINC000328643393 396829368 /nfs/dbraw/zinc/82/93/68/396829368.db2.gz YWBZIRCYPRLFPZ-OLZOCXBDSA-N 0 0 319.409 0.104 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000375952780 396850441 /nfs/dbraw/zinc/85/04/41/396850441.db2.gz DBQIHCHLAILCET-LPWJVIDDSA-N 0 0 322.409 0.163 10 0 DCAERN O=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330562810 396859172 /nfs/dbraw/zinc/85/91/72/396859172.db2.gz JIHLDZBXKWATFK-AXFHLTTASA-N 0 0 311.300 0.954 10 0 DCAERN c1noc([C@H]2COCCN2Cc2nnc3n2CCCCC3)n1 ZINC000625414193 396866051 /nfs/dbraw/zinc/86/60/51/396866051.db2.gz KTNJDZMKKVFHPO-LLVKDONJSA-N 0 0 304.354 0.961 10 0 DCAERN C[C@@H]1CN(Cc2c(Br)cnn2C)S(=O)(=O)C1 ZINC000634549717 396887165 /nfs/dbraw/zinc/88/71/65/396887165.db2.gz BVBQLGJCLKUDHD-SSDOTTSWSA-N 0 0 308.201 0.964 10 0 DCAERN COC(=O)[C@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614003 396894342 /nfs/dbraw/zinc/89/43/42/396894342.db2.gz AAFNRHBDRCDBHE-IUODEOHRSA-N 0 0 317.389 0.905 10 0 DCAERN CO[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)[C@@](C)(C(=O)[O-])C1 ZINC000634695644 396898302 /nfs/dbraw/zinc/89/83/02/396898302.db2.gz XNZMPVOQTNQMJR-CMPLNLGQSA-N 0 0 305.396 0.375 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1COCCN1CC(F)(F)F ZINC000332894831 396899754 /nfs/dbraw/zinc/89/97/54/396899754.db2.gz UDQHYVCQMAWRGP-QCNOEVLYSA-N 0 0 322.327 0.933 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)[C@H](C)C1 ZINC000625509286 396903451 /nfs/dbraw/zinc/90/34/51/396903451.db2.gz KAJHDPFXWCOOLR-UKRRQHHQSA-N 0 0 321.421 0.928 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1O ZINC000625597934 396942818 /nfs/dbraw/zinc/94/28/18/396942818.db2.gz PJHZVWRJDZWINN-MNOVXSKESA-N 0 0 301.364 0.432 10 0 DCAERN O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCCC12OCCO2 ZINC000376724883 396968929 /nfs/dbraw/zinc/96/89/29/396968929.db2.gz VCMVGHVOPCWPKN-MCIONIFRSA-N 0 0 310.394 0.509 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCCCN2CCCCCC2=O)C1 ZINC000376814029 396981707 /nfs/dbraw/zinc/98/17/07/396981707.db2.gz IRLQZOXHCVIPKI-ZDUSSCGKSA-N 0 0 324.425 0.686 10 0 DCAERN Cc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc(=O)[nH]1 ZINC000618675727 397009710 /nfs/dbraw/zinc/00/97/10/397009710.db2.gz IMWICESYTIQKEP-SNVBAGLBSA-N 0 0 313.379 0.202 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618749126 397021418 /nfs/dbraw/zinc/02/14/18/397021418.db2.gz RHOSPAOTXXSTEF-XYJFISCASA-N 0 0 314.385 0.943 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OCC1CC1 ZINC000618754163 397022565 /nfs/dbraw/zinc/02/25/65/397022565.db2.gz FLCJRRFGNDDXAC-OUAUKWLOSA-N 0 0 314.382 0.374 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(C)CCOCC1 ZINC000618756657 397023874 /nfs/dbraw/zinc/02/38/74/397023874.db2.gz UGQBZWOCCVDIFA-WDEREUQCSA-N 0 0 314.382 0.376 10 0 DCAERN CN(Cc1cc(Cl)cn1C)C(=O)c1nc2n(n1)CCCN2 ZINC000612294826 397024329 /nfs/dbraw/zinc/02/43/29/397024329.db2.gz IPRIEZNRBTXAFJ-UHFFFAOYSA-N 0 0 308.773 0.615 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@H](C)O1 ZINC000630496691 397032696 /nfs/dbraw/zinc/03/26/96/397032696.db2.gz SPWOJAMBTIHMLV-WEDXCCLWSA-N 0 0 318.420 0.825 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000619023959 397065232 /nfs/dbraw/zinc/06/52/32/397065232.db2.gz SJGDIPPEDGOHSI-IJLUTSLNSA-N 0 0 304.412 0.220 10 0 DCAERN Cc1nccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337790 397069098 /nfs/dbraw/zinc/06/90/98/397069098.db2.gz PZNBFQFGYHUJIF-CQSZACIVSA-N 0 0 310.423 0.785 10 0 DCAERN CN1CCN(c2cc(N3CC[C@](O)(C4CC4)C3)ncn2)CC1=O ZINC000377468220 397085451 /nfs/dbraw/zinc/08/54/51/397085451.db2.gz MUICIIKPKRKGIE-MRXNPFEDSA-N 0 0 317.393 0.106 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCn3cc(C)nc3C2)[C@@H](C)C1 ZINC000626138517 397088908 /nfs/dbraw/zinc/08/89/08/397088908.db2.gz YXBRTHJHBHUKQU-JSGCOSHPSA-N 0 0 304.394 0.833 10 0 DCAERN COC(=O)CSCCC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000619143930 397090287 /nfs/dbraw/zinc/09/02/87/397090287.db2.gz NOKLASZYKZGOJY-ZDUSSCGKSA-N 0 0 300.380 0.021 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](O)C3)C2)nn1 ZINC000377801639 397143395 /nfs/dbraw/zinc/14/33/95/397143395.db2.gz ZVFJPVUFPOMKTJ-ZIAGYGMSSA-N 0 0 319.409 0.920 10 0 DCAERN COC[C@H]1CN(c2c(F)cccc2S(N)(=O)=O)CCO1 ZINC000631128943 397175486 /nfs/dbraw/zinc/17/54/86/397175486.db2.gz GUSOLKKCOFELON-SECBINFHSA-N 0 0 304.343 0.325 10 0 DCAERN CSC1(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)CC1 ZINC000598223563 397189504 /nfs/dbraw/zinc/18/95/04/397189504.db2.gz AYOFVVNAIPKITI-STQMWFEESA-N 0 0 324.450 0.804 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)C1=O ZINC000619803353 397195795 /nfs/dbraw/zinc/19/57/95/397195795.db2.gz ZXMZHITUHYGMOO-DAADQSANSA-N 0 0 301.412 0.158 10 0 DCAERN CCN1CC[C@@H](NC(=O)C23CCC(C(=O)OC)(CC2)C3)C1=O ZINC000619803157 397196493 /nfs/dbraw/zinc/19/64/93/397196493.db2.gz YKKSOVKBVBOKBO-VHWKEVPUSA-N 0 0 308.378 0.847 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000364544497 397218024 /nfs/dbraw/zinc/21/80/24/397218024.db2.gz RGNMMFSOSSURFS-SECBINFHSA-N 0 0 324.358 0.256 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619988309 397220955 /nfs/dbraw/zinc/22/09/55/397220955.db2.gz WESUEWIMRWNYJD-KGLIPLIRSA-N 0 0 324.425 0.459 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC000592752198 397241800 /nfs/dbraw/zinc/24/18/00/397241800.db2.gz SZTBFWAQIOEKAO-CABCVRRESA-N 0 0 317.389 0.428 10 0 DCAERN CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)CCCO)c1 ZINC000380425455 397269781 /nfs/dbraw/zinc/26/97/81/397269781.db2.gz KYGGGNRPQQEHJR-UHFFFAOYSA-N 0 0 300.380 0.956 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000365440201 397281952 /nfs/dbraw/zinc/28/19/52/397281952.db2.gz UOMZHOYWXHFOTR-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NCCc2nnc3n2CCC3)n1 ZINC000620224304 397252266 /nfs/dbraw/zinc/25/22/66/397252266.db2.gz IKNIPZFTENLTPW-GFCCVEGCSA-N 0 0 302.382 0.958 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC(CO)C1 ZINC000620886715 397314813 /nfs/dbraw/zinc/31/48/13/397314813.db2.gz GKHZHXZETHGHDC-HTAVTVPLSA-N 0 0 304.412 0.078 10 0 DCAERN CNS(=O)(=O)CCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407950442 397334008 /nfs/dbraw/zinc/33/40/08/397334008.db2.gz AOKWAOXYBQMXMR-VIFPVBQESA-N 0 0 304.334 0.315 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC(=O)N(C)[C@H](C)C2)c(F)c1 ZINC000407952319 397335206 /nfs/dbraw/zinc/33/52/06/397335206.db2.gz GINVRTHRFDMXMO-SECBINFHSA-N 0 0 315.370 0.401 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000407970202 397341656 /nfs/dbraw/zinc/34/16/56/397341656.db2.gz BDZPXKFRAHRNHY-CYBMUJFWSA-N 0 0 305.444 0.416 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000407969777 397341665 /nfs/dbraw/zinc/34/16/65/397341665.db2.gz YHYCTKFBLOMKCD-ZJUUUORDSA-N 0 0 310.366 0.962 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21 ZINC000407970302 397341735 /nfs/dbraw/zinc/34/17/35/397341735.db2.gz ZASTXDYMOLWYNW-JTQLQIEISA-N 0 0 308.363 0.227 10 0 DCAERN C[C@@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)n1nnnc1C(C)(C)C ZINC000407972658 397342552 /nfs/dbraw/zinc/34/25/52/397342552.db2.gz VFQHPGTXTCHYKA-UWVGGRQHSA-N 0 0 308.386 0.221 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCCC3)[C@H]2C1 ZINC000407991338 397343984 /nfs/dbraw/zinc/34/39/84/397343984.db2.gz VBGBWFHCSUPKHH-AGIUHOORSA-N 0 0 304.412 0.595 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408073656 397346047 /nfs/dbraw/zinc/34/60/47/397346047.db2.gz QXWKYEODNJLOLA-JQWIXIFHSA-N 0 0 318.439 0.573 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408112776 397347384 /nfs/dbraw/zinc/34/73/84/397347384.db2.gz NROGCJKQKSPPBU-NSHDSACASA-N 0 0 308.382 0.014 10 0 DCAERN COC1CCN(C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000408283807 397351889 /nfs/dbraw/zinc/35/18/89/397351889.db2.gz PHXFJYZYJBSZKP-UHFFFAOYSA-N 0 0 307.398 0.758 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@@](C)(O)C3)CCC(=O)N2C)cn1 ZINC000408330832 397352939 /nfs/dbraw/zinc/35/29/39/397352939.db2.gz OMJFCIYFAOTWQM-JGGQBBKZSA-N 0 0 320.393 0.313 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408461655 397357427 /nfs/dbraw/zinc/35/74/27/397357427.db2.gz WGIFLLZGSXMNEJ-GRYCIOLGSA-N 0 0 304.412 0.484 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000408452922 397357647 /nfs/dbraw/zinc/35/76/47/397357647.db2.gz ONTWJBXGKPAYQY-LLVKDONJSA-N 0 0 315.395 0.695 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)[C@H](CO)C2)C[C@@H](C)O1 ZINC000621310594 397371223 /nfs/dbraw/zinc/37/12/23/397371223.db2.gz WNLBJGUCXDBHSO-LOWDOPEQSA-N 0 0 306.428 0.291 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)nn1 ZINC000614105262 397383020 /nfs/dbraw/zinc/38/30/20/397383020.db2.gz KTOJRVJFCBEQGK-AAEUAGOBSA-N 0 0 309.345 0.125 10 0 DCAERN CCn1ncc(Cl)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000621401584 397383114 /nfs/dbraw/zinc/38/31/14/397383114.db2.gz DEBNVNUULDAEJY-LLVKDONJSA-N 0 0 305.787 0.863 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401781395 397321541 /nfs/dbraw/zinc/32/15/41/397321541.db2.gz BJSZPGGJIXBUJJ-HTQZYQBOSA-N 0 0 320.392 0.321 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599403671 397430900 /nfs/dbraw/zinc/43/09/00/397430900.db2.gz HRQKQSHPNLQWHB-MNOVXSKESA-N 0 0 322.452 0.696 10 0 DCAERN CN(C(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C1CC1 ZINC000459954051 397438286 /nfs/dbraw/zinc/43/82/86/397438286.db2.gz BSXFFVDDAMOBQY-UHFFFAOYSA-N 0 0 306.341 0.490 10 0 DCAERN CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000460019491 397440619 /nfs/dbraw/zinc/44/06/19/397440619.db2.gz SFXUGFCKPQPHIY-GUYCJALGSA-N 0 0 321.421 0.764 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000369614887 397443923 /nfs/dbraw/zinc/44/39/23/397443923.db2.gz HTRUEKYJPCDMCA-NILFDRSVSA-N 0 0 308.378 0.309 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000366705679 397393080 /nfs/dbraw/zinc/39/30/80/397393080.db2.gz WVVQCOFEJHFNRS-TUAOUCFPSA-N 0 0 311.382 0.638 10 0 DCAERN COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000578551293 397453131 /nfs/dbraw/zinc/45/31/31/397453131.db2.gz GTVDMRFFDUBNOZ-MLGOLLRUSA-N 0 0 318.377 0.833 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)n1C ZINC000487125263 397467213 /nfs/dbraw/zinc/46/72/13/397467213.db2.gz SNNYPQPIHOPYMT-WDEREUQCSA-N 0 0 309.366 0.520 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC1CCC1 ZINC000487345908 397470559 /nfs/dbraw/zinc/47/05/59/397470559.db2.gz ZOVJTFXEARTPOR-VHSXEESVSA-N 0 0 320.411 0.162 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)[nH]n1 ZINC000487535857 397474816 /nfs/dbraw/zinc/47/48/16/397474816.db2.gz JMBMFDPOCLYAMC-MWLCHTKSSA-N 0 0 316.427 0.724 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC(C)C ZINC000487339587 397469169 /nfs/dbraw/zinc/46/91/69/397469169.db2.gz UNQAOYOGPCTECL-VHSXEESVSA-N 0 0 308.400 0.018 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1csnc1C ZINC000488291713 397488805 /nfs/dbraw/zinc/48/88/05/397488805.db2.gz IPEMVCIOAMXNAQ-IUCAKERBSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](CO)O[C@@H](C)C2)s1 ZINC000602816682 397492797 /nfs/dbraw/zinc/49/27/97/397492797.db2.gz RDMFOMGLFJIFPY-VHSXEESVSA-N 0 0 300.380 0.901 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N(CCO)C1CC1 ZINC000370494698 397494991 /nfs/dbraw/zinc/49/49/91/397494991.db2.gz ITXRKJCHHOUVEK-UHFFFAOYSA-N 0 0 304.346 0.933 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCn1cccn1 ZINC000488244236 397488068 /nfs/dbraw/zinc/48/80/68/397488068.db2.gz BQDDJRCIOVYORL-NEPJUHHUSA-N 0 0 324.381 0.236 10 0 DCAERN CCOC(=O)c1ncc(CN2CCC[C@@](O)(CO)C2)s1 ZINC000602842280 397500111 /nfs/dbraw/zinc/50/01/11/397500111.db2.gz OVSYUKLTLYPLOZ-ZDUSSCGKSA-N 0 0 300.380 0.639 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000578901842 397500940 /nfs/dbraw/zinc/50/09/40/397500940.db2.gz XQZSMHGTDFHRHG-VXGBXAGGSA-N 0 0 303.366 0.488 10 0 DCAERN CC(=O)N1CC(C(=O)NCc2noc(-c3cccc(F)c3)n2)C1 ZINC000370601146 397507966 /nfs/dbraw/zinc/50/79/66/397507966.db2.gz FMKPPAUENRACGD-UHFFFAOYSA-N 0 0 318.308 0.970 10 0 DCAERN COC[C@H](O)CN1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000371367239 397576218 /nfs/dbraw/zinc/57/62/18/397576218.db2.gz VYVNHYVWPMNBHL-CYBMUJFWSA-N 0 0 314.407 0.276 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)NS(C)(=O)=O)[nH]1 ZINC000370959081 397528060 /nfs/dbraw/zinc/52/80/60/397528060.db2.gz JUMWVPVFHGWJCP-WCBMZHEXSA-N 0 0 315.399 0.104 10 0 DCAERN Cc1nnc(CNC(=O)Nc2ccc3c(c2)NC(=O)CO3)n1C ZINC000594396485 397540748 /nfs/dbraw/zinc/54/07/48/397540748.db2.gz DEVWPSSGCRJMDB-UHFFFAOYSA-N 0 0 316.321 0.776 10 0 DCAERN COC(=O)[C@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000371096547 397543240 /nfs/dbraw/zinc/54/32/40/397543240.db2.gz CIYFCVPAEXXFBS-CQSZACIVSA-N 0 0 317.341 0.758 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCCC(F)(F)F ZINC000608421301 397729717 /nfs/dbraw/zinc/72/97/17/397729717.db2.gz UNYQUVLVXNRTAN-UHFFFAOYSA-N 0 0 317.333 0.664 10 0 DCAERN Cc1cc(C(=O)N(C)Cc2cnccn2)ccc1S(N)(=O)=O ZINC000605665612 397671116 /nfs/dbraw/zinc/67/11/16/397671116.db2.gz TZVIGFUSJMAEEO-UHFFFAOYSA-N 0 0 320.374 0.705 10 0 DCAERN CC[C@H](COC)NC(=O)NCCCN1CCCS1(=O)=O ZINC000606529068 397683346 /nfs/dbraw/zinc/68/33/46/397683346.db2.gz GRMYPCKUUDWBQM-LLVKDONJSA-N 0 0 307.416 0.136 10 0 DCAERN CC[C@@H](COC)NC(=O)NCCCN1CCCS1(=O)=O ZINC000606529070 397683437 /nfs/dbraw/zinc/68/34/37/397683437.db2.gz GRMYPCKUUDWBQM-NSHDSACASA-N 0 0 307.416 0.136 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCN(C(=O)COC)CC1 ZINC000155474071 545845378 /nfs/dbraw/zinc/84/53/78/545845378.db2.gz WOUUATRXMSBHBA-UHFFFAOYSA-N 0 0 310.354 0.868 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)N(C)C1 ZINC000408044105 286083059 /nfs/dbraw/zinc/08/30/59/286083059.db2.gz SMMGUGHOPQIZLI-JBLDHEPKSA-N 0 0 310.316 0.621 10 0 DCAERN COc1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)nn1 ZINC000078189471 286273576 /nfs/dbraw/zinc/27/35/76/286273576.db2.gz PEPWKNUIEPMJPC-ZDUSSCGKSA-N 0 0 320.393 0.812 10 0 DCAERN NC(=O)C[C@H](N)C(=O)Nc1ccc(Br)c(F)c1 ZINC000088084058 158093399 /nfs/dbraw/zinc/09/33/99/158093399.db2.gz RDGKVNKVLULSDD-QMMMGPOBSA-N 0 0 304.119 0.729 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCCC[C@@H]1C ZINC000408029023 292938155 /nfs/dbraw/zinc/93/81/55/292938155.db2.gz VWTBKQYAMJIOFL-AVGNSLFASA-N 0 0 306.428 0.841 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NCC(F)(F)CO)C12CCOCC2 ZINC000185698699 286358404 /nfs/dbraw/zinc/35/84/04/286358404.db2.gz OTPPIQIOVJJDOF-WDEREUQCSA-N 0 0 322.352 0.887 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCc1ncccc1F ZINC000559081525 288465495 /nfs/dbraw/zinc/46/54/95/288465495.db2.gz IAADNLMQWHEEEN-UHFFFAOYSA-N 0 0 305.313 0.826 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000045811485 157998251 /nfs/dbraw/zinc/99/82/51/157998251.db2.gz HTSIFWCTAZEYKS-PELKAZGASA-N 0 0 311.363 0.702 10 0 DCAERN Cn1nccc1CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000045958458 158000040 /nfs/dbraw/zinc/00/00/40/158000040.db2.gz XZXSHCHKLNAXRU-UHFFFAOYSA-N 0 0 307.335 0.068 10 0 DCAERN Cc1cnc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000046555131 158001703 /nfs/dbraw/zinc/00/17/03/158001703.db2.gz NPUOEVDEYYFHEF-UHFFFAOYSA-N 0 0 306.347 0.362 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048671664 158006923 /nfs/dbraw/zinc/00/69/23/158006923.db2.gz UNQJVNAFMUOOID-NSHDSACASA-N 0 0 304.318 0.864 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)COC)cc1 ZINC000049176571 158009833 /nfs/dbraw/zinc/00/98/33/158009833.db2.gz PGTRVGNQCLEGKE-JTQLQIEISA-N 0 0 300.380 0.607 10 0 DCAERN CN(CC(=O)NCC(C)(C)N1CCOCC1)C[C@@H]1CCCO1 ZINC000052101905 158016655 /nfs/dbraw/zinc/01/66/55/158016655.db2.gz DPCHAVPVMKHKMQ-AWEZNQCLSA-N 0 0 313.442 0.324 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000055110778 158021030 /nfs/dbraw/zinc/02/10/30/158021030.db2.gz CPSVPDYPVKNIIQ-ZDUSSCGKSA-N 0 0 323.418 0.534 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C(N)=O)cn2)C[C@H](C)O1 ZINC000057257890 158025909 /nfs/dbraw/zinc/02/59/09/158025909.db2.gz UHWWUWABMYKRGP-PHIMTYICSA-N 0 0 320.393 0.689 10 0 DCAERN COc1ccc(OC)c(CCC(=O)N2CCNC(=O)CC2)c1 ZINC000065902541 158035032 /nfs/dbraw/zinc/03/50/32/158035032.db2.gz IIIISZZZFLTSSC-UHFFFAOYSA-N 0 0 306.362 0.985 10 0 DCAERN CCOCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858269 158037324 /nfs/dbraw/zinc/03/73/24/158037324.db2.gz KGIUXOPYSJMTFR-UHFFFAOYSA-N 0 0 311.426 0.426 10 0 DCAERN CCn1c(CN2CCO[C@H](C(N)=O)C2)nc2cc(F)ccc21 ZINC000066830918 158038173 /nfs/dbraw/zinc/03/81/73/158038173.db2.gz KPDFJKOBZQUPFZ-ZDUSSCGKSA-N 0 0 306.341 0.881 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000068099112 158042016 /nfs/dbraw/zinc/04/20/16/158042016.db2.gz ZTHXMISJXUNCHT-OLZOCXBDSA-N 0 0 317.389 0.837 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382112 158050994 /nfs/dbraw/zinc/05/09/94/158050994.db2.gz OYZZZQULGXLGQV-CYBMUJFWSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)N(C)C ZINC000072781226 158052195 /nfs/dbraw/zinc/05/21/95/158052195.db2.gz INDLYGBPGDMPAZ-NSHDSACASA-N 0 0 306.366 0.743 10 0 DCAERN Cc1nc(CN2CCN(C(=O)C3=NNC(=O)CC3)CC2)cs1 ZINC000074887809 158060767 /nfs/dbraw/zinc/06/07/67/158060767.db2.gz KBCDEQJBHYSWDW-UHFFFAOYSA-N 0 0 321.406 0.362 10 0 DCAERN CCCC(=O)NCC(=O)NCCCOCC1CCOCC1 ZINC000077043766 158066776 /nfs/dbraw/zinc/06/67/76/158066776.db2.gz MBMKRDOSPBSHBS-UHFFFAOYSA-N 0 0 300.399 0.852 10 0 DCAERN O=C(NC1CCC(O)CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000080619735 158081242 /nfs/dbraw/zinc/08/12/42/158081242.db2.gz BWBQXMBKXWBHOP-SLTAFYQDSA-N 0 0 311.426 0.796 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000080570032 158081423 /nfs/dbraw/zinc/08/14/23/158081423.db2.gz BLHPNRIZYTUFPZ-OCCSQVGLSA-N 0 0 307.398 0.867 10 0 DCAERN CCc1cnc(CN(C)C(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000081081944 158082212 /nfs/dbraw/zinc/08/22/12/158082212.db2.gz WBHGKCFFMKBJJN-UHFFFAOYSA-N 0 0 324.406 0.994 10 0 DCAERN NS(=O)(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000081076148 158082912 /nfs/dbraw/zinc/08/29/12/158082912.db2.gz XCMNGKVTBDQNQJ-NSHDSACASA-N 0 0 309.391 0.806 10 0 DCAERN O=C(Cc1ccccc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796368 158088087 /nfs/dbraw/zinc/08/80/87/158088087.db2.gz SMXGIFOILVVNFF-AWEZNQCLSA-N 0 0 307.737 0.693 10 0 DCAERN CC(C)N(C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000086368988 158089717 /nfs/dbraw/zinc/08/97/17/158089717.db2.gz SFSABXNJGFCTNZ-UHFFFAOYSA-N 0 0 306.414 0.648 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC(=O)NC(C)C)cnc12 ZINC000090996383 158106325 /nfs/dbraw/zinc/10/63/25/158106325.db2.gz NWQJBCYLLRBSJR-UHFFFAOYSA-N 0 0 302.334 0.257 10 0 DCAERN Cc1cccn2c1ncc(C(=O)Nc1ccc(C(N)=O)nc1)c2=O ZINC000091073513 158106592 /nfs/dbraw/zinc/10/65/92/158106592.db2.gz PIDHNKJTKHCWDN-UHFFFAOYSA-N 0 0 323.312 0.749 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)Nc3ncnn3C)C2)cn1 ZINC000091185963 158106915 /nfs/dbraw/zinc/10/69/15/158106915.db2.gz YGIYWYOQZKWHRI-JTQLQIEISA-N 0 0 304.358 0.339 10 0 DCAERN CCC(CC)(NC(=O)c1cnc2c(C)cccn2c1=O)C(N)=O ZINC000091041230 158107094 /nfs/dbraw/zinc/10/70/94/158107094.db2.gz CQNCHKLTVNUAML-UHFFFAOYSA-N 0 0 316.361 0.777 10 0 DCAERN COCCOc1ccc(S(=O)(=O)N2CC(CO)C2)cc1 ZINC000091479234 158108262 /nfs/dbraw/zinc/10/82/62/158108262.db2.gz ZVUJINYFNLVLPJ-UHFFFAOYSA-N 0 0 301.364 0.325 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000092910382 158116853 /nfs/dbraw/zinc/11/68/53/158116853.db2.gz OWXSUDADOJPAGN-ZDUSSCGKSA-N 0 0 309.391 0.785 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCCn2ccnc2)c1 ZINC000096996814 158124566 /nfs/dbraw/zinc/12/45/66/158124566.db2.gz ZAFSDOWOYRUCAB-UHFFFAOYSA-N 0 0 308.363 0.351 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000101864363 158127216 /nfs/dbraw/zinc/12/72/16/158127216.db2.gz XUAQQBJOOOVGQH-GFCCVEGCSA-N 0 0 305.382 0.837 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000102642963 158128397 /nfs/dbraw/zinc/12/83/97/158128397.db2.gz QANVELLLZOMYGE-YNEHKIRRSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)n(C)n1 ZINC000105811239 158130918 /nfs/dbraw/zinc/13/09/18/158130918.db2.gz KCTDZIRYCMCIMB-UHFFFAOYSA-N 0 0 300.366 0.871 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)NCC(C)C)CC2)no1 ZINC000105866615 158131535 /nfs/dbraw/zinc/13/15/35/158131535.db2.gz VCBIEILRFZDIJJ-UHFFFAOYSA-N 0 0 309.414 0.658 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)S(=O)(=O)N1CCOCC1 ZINC000106894899 158133428 /nfs/dbraw/zinc/13/34/28/158133428.db2.gz DDWQHXBBXGARRV-ZDUSSCGKSA-N 0 0 306.428 0.845 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000110484148 158138557 /nfs/dbraw/zinc/13/85/57/158138557.db2.gz FLLGGKQDSZZQLP-NSHDSACASA-N 0 0 314.183 0.905 10 0 DCAERN CCN1C[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110956110 158138988 /nfs/dbraw/zinc/13/89/88/158138988.db2.gz PBEZDXHWKDEONL-HUUCEWRRSA-N 0 0 323.437 0.568 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000111899661 158142244 /nfs/dbraw/zinc/14/22/44/158142244.db2.gz DETMCTDGCUXLIO-SWHYSGLUSA-N 0 0 303.362 0.816 10 0 DCAERN CC(C)(CNC(=O)N[C@@H]1CCc2ncnn2C1)N1CCOCC1 ZINC000112740124 158143330 /nfs/dbraw/zinc/14/33/30/158143330.db2.gz STDZBILTXPNJHE-GFCCVEGCSA-N 0 0 322.413 0.003 10 0 DCAERN COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112656529 158143604 /nfs/dbraw/zinc/14/36/04/158143604.db2.gz VPFRJSUGNFVVMP-MNOVXSKESA-N 0 0 309.370 0.480 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCCC(C)(C)C1)c2=O ZINC000112683885 158144253 /nfs/dbraw/zinc/14/42/53/158144253.db2.gz SPMKMOPXCAEGSV-UHFFFAOYSA-N 0 0 303.366 0.779 10 0 DCAERN Cc1noc(COCC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000114328819 158151268 /nfs/dbraw/zinc/15/12/68/158151268.db2.gz JPJPQCDDJDNNNF-LBPRGKRZSA-N 0 0 305.338 0.992 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000114209449 158151834 /nfs/dbraw/zinc/15/18/34/158151834.db2.gz UYVPCVKXDWVQHY-LBPRGKRZSA-N 0 0 301.416 0.892 10 0 DCAERN CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)o1 ZINC000114409881 158152917 /nfs/dbraw/zinc/15/29/17/158152917.db2.gz UEHIHHFPOSVDAU-SNVBAGLBSA-N 0 0 323.374 0.835 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114583841 158155163 /nfs/dbraw/zinc/15/51/63/158155163.db2.gz JFDFDYWNJVQFAZ-ZDUSSCGKSA-N 0 0 318.377 0.617 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCn1ccnc1)CC2 ZINC000114907998 158159236 /nfs/dbraw/zinc/15/92/36/158159236.db2.gz INNATKCSKPHITE-GFCCVEGCSA-N 0 0 317.397 0.741 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114872822 158159306 /nfs/dbraw/zinc/15/93/06/158159306.db2.gz ZGOFWHJMWHJCQQ-JTQLQIEISA-N 0 0 314.411 0.096 10 0 DCAERN CCN1CCN(CC(=O)N2CCC[C@@H]2c2ccco2)C(=O)C1=O ZINC000116212320 158163915 /nfs/dbraw/zinc/16/39/15/158163915.db2.gz RMGYWLKSPABIPL-GFCCVEGCSA-N 0 0 319.361 0.634 10 0 DCAERN CC(C)(C)c1nc(CN2CC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000116887506 158166967 /nfs/dbraw/zinc/16/69/67/158166967.db2.gz IVADAUYUZSPQCM-SECBINFHSA-N 0 0 302.400 0.491 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000116835974 158167544 /nfs/dbraw/zinc/16/75/44/158167544.db2.gz XYMMRSCUANJPCN-VIFPVBQESA-N 0 0 303.771 0.499 10 0 DCAERN CCOCCN1CCN(C(=O)c2nccnc2N)C[C@H]1CC ZINC000116769113 158167662 /nfs/dbraw/zinc/16/76/62/158167662.db2.gz HPCYXTFDLHPHKV-GFCCVEGCSA-N 0 0 307.398 0.632 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOCC)C[C@@H]1CC ZINC000116898896 158168769 /nfs/dbraw/zinc/16/87/69/158168769.db2.gz LZQALLNPUTZKBZ-AWEZNQCLSA-N 0 0 322.471 0.785 10 0 DCAERN CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1CCOC ZINC000117300050 158169856 /nfs/dbraw/zinc/16/98/56/158169856.db2.gz OSCKNQDQJFNMRP-CYBMUJFWSA-N 0 0 320.455 0.380 10 0 DCAERN COCCN1CCN(C(=O)NCCC(=O)NC(C)C)C[C@H]1C ZINC000117475115 158172242 /nfs/dbraw/zinc/17/22/42/158172242.db2.gz LIRXKDXMYIBHEC-CYBMUJFWSA-N 0 0 314.430 0.263 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000117906735 158174383 /nfs/dbraw/zinc/17/43/83/158174383.db2.gz FQBKQNZJCYCWOV-NSHDSACASA-N 0 0 310.379 0.722 10 0 DCAERN COC[C@@H](C)S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000117906738 158174565 /nfs/dbraw/zinc/17/45/65/158174565.db2.gz FQBKQNZJCYCWOV-LLVKDONJSA-N 0 0 310.379 0.722 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120071122 158193678 /nfs/dbraw/zinc/19/36/78/158193678.db2.gz OHEUOFVREJQBAF-LRDDRELGSA-N 0 0 305.378 0.891 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC(n2cncn2)CC1 ZINC000120420314 158197697 /nfs/dbraw/zinc/19/76/97/158197697.db2.gz LYRBCBFGIIYQKZ-LLVKDONJSA-N 0 0 312.395 0.266 10 0 DCAERN O=C(NCCC1CC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120907645 158205321 /nfs/dbraw/zinc/20/53/21/158205321.db2.gz HEIGNTKQHSMLOA-ZDUSSCGKSA-N 0 0 315.439 0.996 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000120933619 158205416 /nfs/dbraw/zinc/20/54/16/158205416.db2.gz OGBIMAXDTAZMOU-JSGCOSHPSA-N 0 0 324.402 0.975 10 0 DCAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cncnc3)CC2)C1 ZINC000121023468 158206547 /nfs/dbraw/zinc/20/65/47/158206547.db2.gz CGDKWDQYFIGDLB-KRWDZBQOSA-N 0 0 319.453 0.703 10 0 DCAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ccnn3C)CC2)C1 ZINC000121059631 158207185 /nfs/dbraw/zinc/20/71/85/158207185.db2.gz LQPGUPXCOZFQLG-KRWDZBQOSA-N 0 0 321.469 0.647 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CC[C@@H](N2CCOCC2)C1 ZINC000121537248 158211160 /nfs/dbraw/zinc/21/11/60/158211160.db2.gz ZPDAIRMOPXISPF-CQSZACIVSA-N 0 0 304.456 0.606 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000121671394 158213110 /nfs/dbraw/zinc/21/31/10/158213110.db2.gz QRGFAAGDLBABFO-OAHLLOKOSA-N 0 0 309.414 0.259 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@H](n2cncn2)C1 ZINC000121955333 158216566 /nfs/dbraw/zinc/21/65/66/158216566.db2.gz BTHXMRYNRBAKPS-STQMWFEESA-N 0 0 315.381 0.905 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2c3ccccc3NC2=O)CCS1(=O)=O ZINC000122015739 158217353 /nfs/dbraw/zinc/21/73/53/158217353.db2.gz NAVLTLWTLJEIGD-JQWIXIFHSA-N 0 0 322.386 0.758 10 0 DCAERN O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CC(CO)C1 ZINC000122800603 158224393 /nfs/dbraw/zinc/22/43/93/158224393.db2.gz NPXQUFCMXAEGOF-OAHLLOKOSA-N 0 0 302.374 0.528 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CCC[C@H](O)C1 ZINC000123817054 158234413 /nfs/dbraw/zinc/23/44/13/158234413.db2.gz PAQJOXIWJUVMGG-GXTWGEPZSA-N 0 0 318.373 0.980 10 0 DCAERN CCC[C@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000123737609 158234444 /nfs/dbraw/zinc/23/44/44/158234444.db2.gz PIYQXOXXWPKDRU-FRRDWIJNSA-N 0 0 308.444 0.729 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC(CO)CC2)cc1 ZINC000124592641 158243564 /nfs/dbraw/zinc/24/35/64/158243564.db2.gz PVEGSRRBMDBZDX-UHFFFAOYSA-N 0 0 306.362 0.656 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](N3CCOCC3)C2)[nH]n1 ZINC000124822199 158247690 /nfs/dbraw/zinc/24/76/90/158247690.db2.gz XJUPSPQDIHZUDL-WFASDCNBSA-N 0 0 321.425 0.765 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(=O)[nH]c1 ZINC000125571762 158256979 /nfs/dbraw/zinc/25/69/79/158256979.db2.gz JOLSGJIARYFJRR-UHFFFAOYSA-N 0 0 310.313 0.814 10 0 DCAERN Cc1sc2[nH]c(CN3CCNC(=O)CC3)nc(=O)c2c1C ZINC000125631922 158258120 /nfs/dbraw/zinc/25/81/20/158258120.db2.gz XPEUCPOPUVDSBI-UHFFFAOYSA-N 0 0 306.391 0.923 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC(C)(C)c2ccncc2)C1 ZINC000126991173 158270070 /nfs/dbraw/zinc/27/00/70/158270070.db2.gz NVVIDQGDPAKNEN-CQSZACIVSA-N 0 0 306.410 0.989 10 0 DCAERN C[C@@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000127233564 158271051 /nfs/dbraw/zinc/27/10/51/158271051.db2.gz REXUJALSQINQQQ-AAEUAGOBSA-N 0 0 306.362 0.884 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127528564 158274146 /nfs/dbraw/zinc/27/41/46/158274146.db2.gz YHSYHFFTQRGXDG-ZDUSSCGKSA-N 0 0 318.439 0.037 10 0 DCAERN CCOC(=O)NCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127467540 158274495 /nfs/dbraw/zinc/27/44/95/158274495.db2.gz FRGISHHOYPMWNU-LBPRGKRZSA-N 0 0 309.370 0.653 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000127674296 158275667 /nfs/dbraw/zinc/27/56/67/158275667.db2.gz UZEQQJFACSQCKD-WCQYABFASA-N 0 0 322.413 0.342 10 0 DCAERN CNC(=O)NC(=O)CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000129102935 158285857 /nfs/dbraw/zinc/28/58/57/158285857.db2.gz ZEULLIYPKULDIS-ZDUSSCGKSA-N 0 0 309.341 0.963 10 0 DCAERN CCn1cc(C(=O)C(=O)NCc2cccnc2-n2ccnc2)cn1 ZINC000129876618 158292188 /nfs/dbraw/zinc/29/21/88/158292188.db2.gz OPIKVADATDMQIM-UHFFFAOYSA-N 0 0 324.344 0.983 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)c1ccc(C(N)=O)cn1 ZINC000130910995 158296979 /nfs/dbraw/zinc/29/69/79/158296979.db2.gz IBFBPGCBMKSBBV-UHFFFAOYSA-N 0 0 301.350 0.963 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)CN(C)C(N)=O)cc1F ZINC000131083573 158299029 /nfs/dbraw/zinc/29/90/29/158299029.db2.gz TYPWVFLMVISGQO-UHFFFAOYSA-N 0 0 319.340 0.947 10 0 DCAERN COC(=O)C1(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000131527366 158303489 /nfs/dbraw/zinc/30/34/89/158303489.db2.gz YDFTYXAGJDXOFI-ZDUSSCGKSA-N 0 0 318.373 0.755 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000132396381 158310491 /nfs/dbraw/zinc/31/04/91/158310491.db2.gz RTLNSGHOKYERIF-GHMZBOCLSA-N 0 0 316.423 0.504 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000132434150 158310668 /nfs/dbraw/zinc/31/06/68/158310668.db2.gz KYNFYSMZMGGMCU-LBPRGKRZSA-N 0 0 320.393 0.645 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000132396583 158310767 /nfs/dbraw/zinc/31/07/67/158310767.db2.gz RTLNSGHOKYERIF-MNOVXSKESA-N 0 0 316.423 0.504 10 0 DCAERN COCC(=O)N1CCN(Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000132957432 158315226 /nfs/dbraw/zinc/31/52/26/158315226.db2.gz IHIINBAHLSKJHG-UHFFFAOYSA-N 0 0 320.315 0.730 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000133287698 158318484 /nfs/dbraw/zinc/31/84/84/158318484.db2.gz MQIBKWIWWRYCFL-LBPRGKRZSA-N 0 0 308.382 0.733 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1C ZINC000133793984 158321986 /nfs/dbraw/zinc/32/19/86/158321986.db2.gz KXGRXWPIZGRPSY-UHFFFAOYSA-N 0 0 303.362 0.844 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000133968033 158323288 /nfs/dbraw/zinc/32/32/88/158323288.db2.gz YXDYOHVEEUIJCG-SNVBAGLBSA-N 0 0 308.386 0.672 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134306263 158326534 /nfs/dbraw/zinc/32/65/34/158326534.db2.gz NCAJEJZJAPJPRM-SWLSCSKDSA-N 0 0 322.409 0.608 10 0 DCAERN COCc1ccc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)o1 ZINC000135108803 158334373 /nfs/dbraw/zinc/33/43/73/158334373.db2.gz WSVMEXHFCWCWSI-JTQLQIEISA-N 0 0 320.349 0.909 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000135295099 158334957 /nfs/dbraw/zinc/33/49/57/158334957.db2.gz PHDBCVWJSWCFFT-JQWIXIFHSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000135499586 158337629 /nfs/dbraw/zinc/33/76/29/158337629.db2.gz WXFNTYGGXCBDSK-WDEREUQCSA-N 0 0 314.411 0.601 10 0 DCAERN CCCCNC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705151 158340182 /nfs/dbraw/zinc/34/01/82/158340182.db2.gz JZQZMRVWEDAIMI-CYBMUJFWSA-N 0 0 317.455 0.403 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1CC ZINC000135768213 158340412 /nfs/dbraw/zinc/34/04/12/158340412.db2.gz LVILQYKADNJSPJ-VHSXEESVSA-N 0 0 320.393 0.669 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135689209 158340419 /nfs/dbraw/zinc/34/04/19/158340419.db2.gz LHJNHVBKAJVQSM-WCQYABFASA-N 0 0 312.391 0.742 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1nccnc1N)CC2 ZINC000136868454 158343950 /nfs/dbraw/zinc/34/39/50/158343950.db2.gz JCTCUXPBMSTQTE-SECBINFHSA-N 0 0 301.354 0.519 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000136993863 158343971 /nfs/dbraw/zinc/34/39/71/158343971.db2.gz ODUBANCAAIXCNX-CYBMUJFWSA-N 0 0 321.425 0.863 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000150792182 158347904 /nfs/dbraw/zinc/34/79/04/158347904.db2.gz IEYDIEHGTPUPHI-RYUDHWBXSA-N 0 0 308.382 0.576 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC(c2cc[nH]n2)CC1 ZINC000154388060 158350889 /nfs/dbraw/zinc/35/08/89/158350889.db2.gz VKJNQHHRONJMGV-UHFFFAOYSA-N 0 0 313.361 0.941 10 0 DCAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC(O)C1 ZINC000156193581 158352061 /nfs/dbraw/zinc/35/20/61/158352061.db2.gz AWRNQAOBHROGDJ-UHFFFAOYSA-N 0 0 309.265 0.797 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)Nc1nnc2n1CCCC2 ZINC000162625616 158359803 /nfs/dbraw/zinc/35/98/03/158359803.db2.gz KZGABGDAOCVGAS-UHFFFAOYSA-N 0 0 324.344 0.963 10 0 DCAERN Cc1cc(CN2CCN(C[C@H](C)CS(C)(=O)=O)CC2)on1 ZINC000162653021 158361095 /nfs/dbraw/zinc/36/10/95/158361095.db2.gz ZWIKQLOHGGHJDU-LBPRGKRZSA-N 0 0 315.439 0.781 10 0 DCAERN COC(=O)c1ccc(C(=O)NCCc2nnc3n2CCCC3)o1 ZINC000166241297 158365606 /nfs/dbraw/zinc/36/56/06/158365606.db2.gz JYIZJFUFSSXUQZ-UHFFFAOYSA-N 0 0 318.333 0.967 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCC[C@@H]1O ZINC000170194308 158373732 /nfs/dbraw/zinc/37/37/32/158373732.db2.gz WAYJLHOUXWDENV-OLZOCXBDSA-N 0 0 302.330 0.702 10 0 DCAERN CC[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCCC1=O ZINC000170315985 158374425 /nfs/dbraw/zinc/37/44/25/158374425.db2.gz GQPLHGPSKXRIIP-ZDUSSCGKSA-N 0 0 309.410 0.906 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562822 158374805 /nfs/dbraw/zinc/37/48/05/158374805.db2.gz IUSBWHHCFSATND-QWRGUYRKSA-N 0 0 320.345 0.655 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000170828874 158376984 /nfs/dbraw/zinc/37/69/84/158376984.db2.gz NRAHGBZLNOJYCU-CYBMUJFWSA-N 0 0 302.440 0.898 10 0 DCAERN CCc1nnc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1C ZINC000170778110 158377180 /nfs/dbraw/zinc/37/71/80/158377180.db2.gz IWZOMOKSRRWNDZ-CYBMUJFWSA-N 0 0 321.425 0.591 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1F ZINC000171171263 158380404 /nfs/dbraw/zinc/38/04/04/158380404.db2.gz SFZJPYOORFOSRK-QMMMGPOBSA-N 0 0 304.285 0.184 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(COC)c1 ZINC000171103968 158380559 /nfs/dbraw/zinc/38/05/59/158380559.db2.gz IAHRLMSSNVGMCW-ZDUSSCGKSA-N 0 0 312.391 0.732 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cncn1 ZINC000171377689 158382057 /nfs/dbraw/zinc/38/20/57/158382057.db2.gz QMGIRMBYEQIULG-QWRGUYRKSA-N 0 0 301.306 0.088 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)N3CCNC(=O)C3)CC2)n1 ZINC000172140963 158390875 /nfs/dbraw/zinc/39/08/75/158390875.db2.gz GKQGSCUFJFHCHK-UHFFFAOYSA-N 0 0 317.393 0.500 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172201499 158391896 /nfs/dbraw/zinc/39/18/96/158391896.db2.gz PCLLPAUCQFNOSB-ONXXMXGDSA-N 0 0 303.362 0.948 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000172578590 158395794 /nfs/dbraw/zinc/39/57/94/158395794.db2.gz SMPZUTROJRHZDE-JTQLQIEISA-N 0 0 302.400 0.329 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172551360 158395958 /nfs/dbraw/zinc/39/59/58/158395958.db2.gz HNSWIPMSGCDMLB-OLZOCXBDSA-N 0 0 321.425 0.923 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000172580741 158396601 /nfs/dbraw/zinc/39/66/01/158396601.db2.gz JJEFEZJWZQDODM-JTQLQIEISA-N 0 0 302.400 0.107 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172601740 158396799 /nfs/dbraw/zinc/39/67/99/158396799.db2.gz VSUWVJRGTZTJOM-GFCCVEGCSA-N 0 0 304.354 0.478 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172745155 158398602 /nfs/dbraw/zinc/39/86/02/158398602.db2.gz VEELEMSSTDUKOH-OLZOCXBDSA-N 0 0 321.377 0.331 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172756315 158398828 /nfs/dbraw/zinc/39/88/28/158398828.db2.gz NMNNXLIMWXGAFL-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN Cc1c(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cnn1C ZINC000175295003 158426073 /nfs/dbraw/zinc/42/60/73/158426073.db2.gz DUSJBZFEOWYHLI-CYBMUJFWSA-N 0 0 308.382 0.342 10 0 DCAERN COC[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccco1 ZINC000175543134 158428525 /nfs/dbraw/zinc/42/85/25/158428525.db2.gz SIVOCVZCIVUKIF-QWRGUYRKSA-N 0 0 305.338 0.873 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H](CO)c2ccccc2)CCC1=O ZINC000176284557 158435498 /nfs/dbraw/zinc/43/54/98/158435498.db2.gz AQXLETBQTQPOLB-KBPBESRZSA-N 0 0 305.378 0.683 10 0 DCAERN CCOC(=O)CN(Cc1csc(CC(=O)NC)n1)C1CC1 ZINC000177579331 158448375 /nfs/dbraw/zinc/44/83/75/158448375.db2.gz HSDBUFZMIPDVPT-UHFFFAOYSA-N 0 0 311.407 0.959 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000178675217 158461265 /nfs/dbraw/zinc/46/12/65/158461265.db2.gz QCOCCAPRQYGBME-LBPRGKRZSA-N 0 0 302.338 0.163 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)C(C)C ZINC000179127398 158468944 /nfs/dbraw/zinc/46/89/44/158468944.db2.gz MFCQDDCFZXMVAG-OAHLLOKOSA-N 0 0 319.405 0.920 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2cccs2)on1 ZINC000180204509 158476386 /nfs/dbraw/zinc/47/63/86/158476386.db2.gz QVNLSAVSRIOQQH-SECBINFHSA-N 0 0 307.331 0.729 10 0 DCAERN C[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(N)=O ZINC000180353573 158477385 /nfs/dbraw/zinc/47/73/85/158477385.db2.gz JCRWCUATVTYAEJ-YFKPBYRVSA-N 0 0 312.127 0.095 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N[C@](C)(CCO)COC)CC1=O ZINC000182822267 158493739 /nfs/dbraw/zinc/49/37/39/158493739.db2.gz ROKKRDIEEAPHHV-MLGOLLRUSA-N 0 0 314.426 0.927 10 0 DCAERN CNc1nnc(CC(=O)N2CC(OCCCOC)C2)s1 ZINC000183847107 158502654 /nfs/dbraw/zinc/50/26/54/158502654.db2.gz MAPBSKXXEOQRDN-UHFFFAOYSA-N 0 0 300.384 0.386 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000183959648 158503499 /nfs/dbraw/zinc/50/34/99/158503499.db2.gz BGMQLSUILCBTRP-ZDUSSCGKSA-N 0 0 318.373 0.811 10 0 DCAERN COC(=O)CCCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000184352867 158507331 /nfs/dbraw/zinc/50/73/31/158507331.db2.gz UDOCXNYIQVWFEC-LBPRGKRZSA-N 0 0 308.382 0.848 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)Nc2nc3ccccn3n2)C1 ZINC000184418415 158508659 /nfs/dbraw/zinc/50/86/59/158508659.db2.gz IYRZLMVLRCATMC-VHSXEESVSA-N 0 0 302.338 0.895 10 0 DCAERN CCN(C)C(=O)CNS(=O)(=O)Cc1cccc(OC)c1 ZINC000185986829 158525897 /nfs/dbraw/zinc/52/58/97/158525897.db2.gz SXSWMLRCLSAAFW-UHFFFAOYSA-N 0 0 300.380 0.593 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCN(c2cccs2)C(=O)C1 ZINC000186101432 158526791 /nfs/dbraw/zinc/52/67/91/158526791.db2.gz NMOFOJYJXTUANS-VIFPVBQESA-N 0 0 310.379 0.241 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NCCCN1CCOCC1 ZINC000188147223 158542993 /nfs/dbraw/zinc/54/29/93/158542993.db2.gz PPKCQSLMPYXBQW-AWEZNQCLSA-N 0 0 301.431 0.757 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000188167710 158543380 /nfs/dbraw/zinc/54/33/80/158543380.db2.gz MDHSKIISQNYRRY-AWEZNQCLSA-N 0 0 301.346 0.870 10 0 DCAERN Cn1nc(C(=O)Nc2cn(Cc3ccccc3)nn2)ccc1=O ZINC000188257361 158544055 /nfs/dbraw/zinc/54/40/55/158544055.db2.gz BHPAGWLGSLURNU-UHFFFAOYSA-N 0 0 310.317 0.672 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCC(=O)N1CCOCC1 ZINC000189556978 158553690 /nfs/dbraw/zinc/55/36/90/158553690.db2.gz HCYHGAQBGIFGMQ-UHFFFAOYSA-N 0 0 312.395 0.424 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000189788432 158555771 /nfs/dbraw/zinc/55/57/71/158555771.db2.gz AGQQWKRFNDQHGJ-UHFFFAOYSA-N 0 0 324.402 0.785 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1=O ZINC000189798514 158555780 /nfs/dbraw/zinc/55/57/80/158555780.db2.gz PPFUNUZMLOXTLE-CYBMUJFWSA-N 0 0 323.437 0.962 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)c2cccc(F)c2)CC1=O ZINC000190632864 158562306 /nfs/dbraw/zinc/56/23/06/158562306.db2.gz GVBQZEURODAFBR-UHFFFAOYSA-N 0 0 307.325 0.246 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000190713641 158562876 /nfs/dbraw/zinc/56/28/76/158562876.db2.gz VHEOKUOICJPWHZ-QWHCGFSZSA-N 0 0 314.430 0.262 10 0 DCAERN CCCCCNC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772235 158563392 /nfs/dbraw/zinc/56/33/92/158563392.db2.gz KMEVMLWEKRQLKT-AWEZNQCLSA-N 0 0 313.442 0.862 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3ccn(C)c3c2)CC1=O ZINC000191519959 158568919 /nfs/dbraw/zinc/56/89/19/158568919.db2.gz VDOPJNPZCHRUMW-UHFFFAOYSA-N 0 0 314.345 0.765 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000191856814 158571202 /nfs/dbraw/zinc/57/12/02/158571202.db2.gz ZQXPDCRVOOPPHS-LLVKDONJSA-N 0 0 304.412 0.532 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1snnc1C(C)(C)C ZINC000191974804 158572785 /nfs/dbraw/zinc/57/27/85/158572785.db2.gz QOFUOIMBJAMACM-UHFFFAOYSA-N 0 0 306.413 0.115 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCOCCO ZINC000192692678 158577014 /nfs/dbraw/zinc/57/70/14/158577014.db2.gz KGOKOKAMLZSEBR-UKRRQHHQSA-N 0 0 322.405 0.956 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2ccc3ccsc3c2=O)C1 ZINC000193783245 158589341 /nfs/dbraw/zinc/58/93/41/158589341.db2.gz SQIPCHSVWSGVDR-LLVKDONJSA-N 0 0 319.386 0.787 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(C)s1 ZINC000193942233 158591436 /nfs/dbraw/zinc/59/14/36/158591436.db2.gz HNFRMAOZZRGLNO-LLVKDONJSA-N 0 0 310.375 0.489 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)C[C@H](C)OC)CC1 ZINC000195229252 158607283 /nfs/dbraw/zinc/60/72/83/158607283.db2.gz GGFBPVFHERWSKS-NSHDSACASA-N 0 0 316.427 0.842 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000237145659 158636911 /nfs/dbraw/zinc/63/69/11/158636911.db2.gz BREVPJZPFIBARQ-UHFFFAOYSA-N 0 0 303.362 0.585 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245529265 158648102 /nfs/dbraw/zinc/64/81/02/158648102.db2.gz RFWGCNKQQAVOLO-LBPRGKRZSA-N 0 0 301.416 0.575 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000247197451 158678542 /nfs/dbraw/zinc/67/85/42/158678542.db2.gz YMMCCUPSMAQEEX-YPMHNXCESA-N 0 0 310.350 0.639 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)[C@H]1Oc1ccccc1 ZINC000249125681 158703606 /nfs/dbraw/zinc/70/36/06/158703606.db2.gz JBKDZTYAODTQNY-UMVBOHGHSA-N 0 0 317.349 0.414 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000303536591 158983502 /nfs/dbraw/zinc/98/35/02/158983502.db2.gz IQSQYCDRQCVHIO-QWHCGFSZSA-N 0 0 313.427 0.892 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3CO)C2)cn1 ZINC000304421318 158985403 /nfs/dbraw/zinc/98/54/03/158985403.db2.gz XVAUSIXCUUXBGO-CHWSQXEVSA-N 0 0 307.398 0.555 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000320144506 159009952 /nfs/dbraw/zinc/00/99/52/159009952.db2.gz KZCHIPCKKUIGNY-KBPBESRZSA-N 0 0 310.369 0.832 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCN[C@H](c2cccnc2)C1 ZINC000328662407 159018551 /nfs/dbraw/zinc/01/85/51/159018551.db2.gz XINHQMOCGUZEGG-HIFRSBDPSA-N 0 0 305.378 0.608 10 0 DCAERN Cn1cc(N2CC[C@H](N3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cn1 ZINC000328680912 159020805 /nfs/dbraw/zinc/02/08/05/159020805.db2.gz UWOHELIVQZYVFD-YPMHNXCESA-N 0 0 315.381 0.523 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 ZINC000328748239 159026554 /nfs/dbraw/zinc/02/65/54/159026554.db2.gz QKCWMKNOHJGQHL-UPJWGTAASA-N 0 0 315.439 0.706 10 0 DCAERN COc1cccc(CC(=O)N2CC(n3nc(C)nc3C)C2)n1 ZINC000328752335 159026776 /nfs/dbraw/zinc/02/67/76/159026776.db2.gz CUVCOBMTLAIACH-UHFFFAOYSA-N 0 0 301.350 0.925 10 0 DCAERN COc1cccc(CC(=O)N2CCN(c3nccn3C)CC2)n1 ZINC000328774963 159028727 /nfs/dbraw/zinc/02/87/27/159028727.db2.gz SHHMQKMGPFFQPA-UHFFFAOYSA-N 0 0 315.377 0.715 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@@H]21 ZINC000328838852 159033445 /nfs/dbraw/zinc/03/34/45/159033445.db2.gz NPEHLJYNCSPWAQ-MELADBBJSA-N 0 0 318.439 0.148 10 0 DCAERN Cc1nnc(N2CCS(=O)(=O)[C@H](C)C2)n1C[C@@H]1CCCO1 ZINC000328840600 159034072 /nfs/dbraw/zinc/03/40/72/159034072.db2.gz OHJCOTRJOQLWAJ-PWSUYJOCSA-N 0 0 314.411 0.389 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2CCCCNC2=O)CCS1(=O)=O ZINC000328876347 159037137 /nfs/dbraw/zinc/03/71/37/159037137.db2.gz SLQUUNXXGLOHHF-MNOVXSKESA-N 0 0 302.396 0.779 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328872599 159037139 /nfs/dbraw/zinc/03/71/39/159037139.db2.gz DWYGTZCTRGSAGB-MNOVXSKESA-N 0 0 307.354 0.994 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328902135 159039151 /nfs/dbraw/zinc/03/91/51/159039151.db2.gz GGJRYJUPVZUJBT-RBSFLKMASA-N 0 0 323.437 0.709 10 0 DCAERN CC1CCN(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328905995 159039929 /nfs/dbraw/zinc/03/99/29/159039929.db2.gz BEQLVKIDTLDQGF-OAHLLOKOSA-N 0 0 307.398 0.957 10 0 DCAERN Cn1cnn(CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O ZINC000328952244 159046277 /nfs/dbraw/zinc/04/62/77/159046277.db2.gz XPFYLHAISBWLAZ-DOMZBBRYSA-N 0 0 308.382 0.126 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000329035716 159054033 /nfs/dbraw/zinc/05/40/33/159054033.db2.gz MTRYTBLFCXKILE-TZMCWYRMSA-N 0 0 312.377 0.829 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329056854 159057330 /nfs/dbraw/zinc/05/73/30/159057330.db2.gz YCYMZZLZUVZUEK-SMDDNHRTSA-N 0 0 319.409 0.769 10 0 DCAERN O=C(Cn1cccnc1=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000329117870 159064518 /nfs/dbraw/zinc/06/45/18/159064518.db2.gz USRZVWSXGXQOGS-QWHCGFSZSA-N 0 0 323.418 0.756 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCC[C@H]2Cn2ccnn2)c(=O)n1 ZINC000329180725 159070287 /nfs/dbraw/zinc/07/02/87/159070287.db2.gz NDLURYRNFSLNFG-ZDUSSCGKSA-N 0 0 316.365 0.143 10 0 DCAERN O=S1(=O)CC[C@H]2CN(Cc3cn(-c4ccccc4)nn3)C[C@H]21 ZINC000329186815 159071633 /nfs/dbraw/zinc/07/16/33/159071633.db2.gz PYXTWJQJMNMTAV-SWLSCSKDSA-N 0 0 318.402 0.886 10 0 DCAERN O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198099 159072573 /nfs/dbraw/zinc/07/25/73/159072573.db2.gz AGYBUGVYYYZSHS-HOCLYGCPSA-N 0 0 314.401 0.953 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329292180 159079945 /nfs/dbraw/zinc/07/99/45/159079945.db2.gz RBAFXIKILZHMLV-NSHDSACASA-N 0 0 311.382 0.449 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329292179 159080111 /nfs/dbraw/zinc/08/01/11/159080111.db2.gz RBAFXIKILZHMLV-LLVKDONJSA-N 0 0 311.382 0.449 10 0 DCAERN CC(C)[C@H]1N(C(=O)CCN2C(=O)CCC2=O)C[C@@]12CCCO2 ZINC000329341769 159083703 /nfs/dbraw/zinc/08/37/03/159083703.db2.gz SGQCWPFEAMMOEK-CVEARBPZSA-N 0 0 308.378 0.942 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@]3(C)CCCOC3)CCO2)n1 ZINC000329342696 159083990 /nfs/dbraw/zinc/08/39/90/159083990.db2.gz PSVGWEUTTDESRX-GDBMZVCRSA-N 0 0 322.409 0.939 10 0 DCAERN COCCN1C[C@H](C(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)CC1=O ZINC000329352902 159084933 /nfs/dbraw/zinc/08/49/33/159084933.db2.gz XVAPFULFHDKXON-UKPHBRMFSA-N 0 0 324.421 0.897 10 0 DCAERN C[C@]12CCCN1C(=O)N(C[C@H]1CCN(S(C)(=O)=O)C1)C2=O ZINC000329416895 159090484 /nfs/dbraw/zinc/09/04/84/159090484.db2.gz DIBKNAHMEHJYCJ-GXFFZTMASA-N 0 0 315.395 0.085 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)NC2CCCC2)CC1 ZINC000329415949 159090649 /nfs/dbraw/zinc/09/06/49/159090649.db2.gz GBTBGWGCGVZMTA-UHFFFAOYSA-N 0 0 303.428 0.612 10 0 DCAERN CC(C)[C@H]1N(C(=O)CN2C(=O)CN(C)C2=O)C[C@]12CCCO2 ZINC000329451465 159094563 /nfs/dbraw/zinc/09/45/63/159094563.db2.gz MBXYIVGDCLUBRU-UKRRQHHQSA-N 0 0 309.366 0.296 10 0 DCAERN CC[N@@H+]1CCC[C@H](CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000329518068 159099270 /nfs/dbraw/zinc/09/92/70/159099270.db2.gz PNYLPOQNPLIXRF-MELADBBJSA-N 0 0 319.471 0.662 10 0 DCAERN O=S(=O)([C@H]1CCCOC1)N1CCC[C@H]1CN1CCOCC1 ZINC000329570101 159103198 /nfs/dbraw/zinc/10/31/98/159103198.db2.gz QBXIDEADJFOPHO-KBPBESRZSA-N 0 0 318.439 0.292 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000329616995 159107069 /nfs/dbraw/zinc/10/70/69/159107069.db2.gz FTVPYBBHUWGRCX-LLVKDONJSA-N 0 0 312.391 0.830 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC000329638821 159108036 /nfs/dbraw/zinc/10/80/36/159108036.db2.gz WGKJDNOOSFOTRG-OUAUKWLOSA-N 0 0 305.382 0.772 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC000329638822 159108314 /nfs/dbraw/zinc/10/83/14/159108314.db2.gz WGKJDNOOSFOTRG-VWYCJHECSA-N 0 0 305.382 0.772 10 0 DCAERN COCCC(=O)N1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000329707590 159113613 /nfs/dbraw/zinc/11/36/13/159113613.db2.gz KOOALZUDVGTQMX-UHFFFAOYSA-N 0 0 303.366 0.590 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329725942 159115454 /nfs/dbraw/zinc/11/54/54/159115454.db2.gz DQYZSXSRQBVBHA-JTQLQIEISA-N 0 0 310.354 0.980 10 0 DCAERN Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)nc(C)n1 ZINC000329734406 159116453 /nfs/dbraw/zinc/11/64/53/159116453.db2.gz KHBMNCLQERETDN-UHFFFAOYSA-N 0 0 303.322 0.912 10 0 DCAERN C[C@@H](Sc1nncn1C)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329744310 159116649 /nfs/dbraw/zinc/11/66/49/159116649.db2.gz XSVTWLKUEHJDJA-NXEZZACHSA-N 0 0 321.410 0.724 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)C[C@@H]3CCOC3)CC2)n1 ZINC000329792114 159120317 /nfs/dbraw/zinc/12/03/17/159120317.db2.gz UYLLDWZHVXPZJX-ZDUSSCGKSA-N 0 0 319.409 0.618 10 0 DCAERN Cc1nnc2n1C[C@H](CNS(=O)(=O)NC1CCCC1)CC2 ZINC000329821325 159121823 /nfs/dbraw/zinc/12/18/23/159121823.db2.gz HDWLIBNVXPSKTC-NSHDSACASA-N 0 0 313.427 0.516 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)c3cccn32)CCS1(=O)=O ZINC000329845984 159123873 /nfs/dbraw/zinc/12/38/73/159123873.db2.gz MAJZKORHZAUJHM-PWSUYJOCSA-N 0 0 310.375 0.651 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CC[C@H](Oc2ccncc2)C1 ZINC000329870519 159124915 /nfs/dbraw/zinc/12/49/15/159124915.db2.gz ADJLWEWWXCJKGB-JSGCOSHPSA-N 0 0 312.391 0.901 10 0 DCAERN C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccnn3C)CC2)CCO1 ZINC000329918249 159128814 /nfs/dbraw/zinc/12/88/14/159128814.db2.gz ZSTHFIIXUYDQNT-ZDUSSCGKSA-N 0 0 306.410 0.674 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000329975813 159132580 /nfs/dbraw/zinc/13/25/80/159132580.db2.gz DUUSVODFZPAALW-LLVKDONJSA-N 0 0 314.345 0.974 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@]2(OC)CCOC2)C1 ZINC000330011851 159135419 /nfs/dbraw/zinc/13/54/19/159135419.db2.gz JOVHYZDBOQXAMI-MISXGVKJSA-N 0 0 311.338 0.472 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000330036698 159137330 /nfs/dbraw/zinc/13/73/30/159137330.db2.gz YLNCFLDDHSROKZ-NSHDSACASA-N 0 0 322.390 0.378 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@@]2(CCOC2)O1 ZINC000330067113 159139488 /nfs/dbraw/zinc/13/94/88/159139488.db2.gz UEIMAAKYLCKFPD-IJEWVQPXSA-N 0 0 310.394 0.794 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330119307 159143191 /nfs/dbraw/zinc/14/31/91/159143191.db2.gz ZQMCTBMHLLIAQC-BBRMVZONSA-N 0 0 310.394 0.794 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCO[C@H](C4CC4)C3)C2=O)n(C)n1 ZINC000330137586 159144699 /nfs/dbraw/zinc/14/46/99/159144699.db2.gz NXLUUCAMZACYGL-KGLIPLIRSA-N 0 0 304.394 0.945 10 0 DCAERN O=C(N1CCO[C@H](COCC2CC2)C1)[C@@]1(O)CCSC1 ZINC000330176187 159148218 /nfs/dbraw/zinc/14/82/18/159148218.db2.gz JSFPDLFSLMLDEB-GXTWGEPZSA-N 0 0 301.408 0.508 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C2CC2)n1 ZINC000330218276 159151479 /nfs/dbraw/zinc/15/14/79/159151479.db2.gz JEWAJOVBPAQQBJ-FRRDWIJNSA-N 0 0 306.366 0.639 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000330233333 159152217 /nfs/dbraw/zinc/15/22/17/159152217.db2.gz XVAGPUPILMJQGY-SNVBAGLBSA-N 0 0 313.379 0.855 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270904 159155074 /nfs/dbraw/zinc/15/50/74/159155074.db2.gz VAELXALMHBNQOW-LBPRGKRZSA-N 0 0 314.411 0.141 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)CCC2CCOCC2)C[C@H]1OC ZINC000330314112 159159169 /nfs/dbraw/zinc/15/91/69/159159169.db2.gz XQRBUWFTYFBTDA-CHWSQXEVSA-N 0 0 307.412 0.479 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000330609317 159201693 /nfs/dbraw/zinc/20/16/93/159201693.db2.gz NTJSURPMTVERNE-MELADBBJSA-N 0 0 314.426 0.519 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)N2CCOC[C@@H]2c2ncnn2C)C1 ZINC000332755941 159212298 /nfs/dbraw/zinc/21/22/98/159212298.db2.gz KVQJNBJHWGCXHK-CHWSQXEVSA-N 0 0 322.413 0.382 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCO[C@@H]2C2CC2)CC1=O ZINC000332754436 159212337 /nfs/dbraw/zinc/21/23/37/159212337.db2.gz KJBUHFOOPXJCOW-GOGITYCRSA-N 0 0 307.394 0.862 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332751425 159212789 /nfs/dbraw/zinc/21/27/89/159212789.db2.gz AARCCQJCFVHNRM-XFMPKHEZSA-N 0 0 320.389 0.845 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC000332869059 159214964 /nfs/dbraw/zinc/21/49/64/159214964.db2.gz GOOXLIVZTQWIHP-RYUDHWBXSA-N 0 0 305.382 0.126 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000332917903 159217489 /nfs/dbraw/zinc/21/74/89/159217489.db2.gz DUIYMAUMPUOQLI-ZIAGYGMSSA-N 0 0 302.378 0.530 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2nc(C)c(C)s2)C[C@@H]1OC ZINC000362887084 159273286 /nfs/dbraw/zinc/27/32/86/159273286.db2.gz VBQLPGWTHDCWBE-AOOOYVTPSA-N 0 0 306.409 0.794 10 0 DCAERN Cn1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)n1 ZINC000367091536 159312466 /nfs/dbraw/zinc/31/24/66/159312466.db2.gz LADUTBIRSLODNQ-UHFFFAOYSA-N 0 0 312.439 0.810 10 0 DCAERN CCOCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367250963 159325338 /nfs/dbraw/zinc/32/53/38/159325338.db2.gz BEJOGBXKRCAKQI-STQMWFEESA-N 0 0 300.399 0.890 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)OC[C@@H]1CCCO1 ZINC000367789382 159356582 /nfs/dbraw/zinc/35/65/82/159356582.db2.gz BVFBJXOOIBZESY-STQMWFEESA-N 0 0 312.366 0.672 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000368330982 159387807 /nfs/dbraw/zinc/38/78/07/159387807.db2.gz YWXDEWGYCJGMPV-HNNXBMFYSA-N 0 0 307.369 0.458 10 0 DCAERN CCOC(=O)CN1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000368506520 159399034 /nfs/dbraw/zinc/39/90/34/159399034.db2.gz ARPIMGYPLHKCTH-UHFFFAOYSA-N 0 0 324.402 0.626 10 0 DCAERN O=C(CSc1nncs1)N1CCN2CCOC[C@H]2C1 ZINC000368827670 159420596 /nfs/dbraw/zinc/42/05/96/159420596.db2.gz YWBXZCCBNWXILL-SECBINFHSA-N 0 0 300.409 0.173 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1CCc2ccccc2OC1 ZINC000370016801 159492023 /nfs/dbraw/zinc/49/20/23/159492023.db2.gz CPTNTGKKQWTEBF-CYBMUJFWSA-N 0 0 304.346 0.355 10 0 DCAERN Cn1nnc(CNC(=O)N2CCC(C3CCOCC3)CC2)n1 ZINC000373316780 159675202 /nfs/dbraw/zinc/67/52/02/159675202.db2.gz HDCPECTYZTZJML-UHFFFAOYSA-N 0 0 308.386 0.558 10 0 DCAERN COc1ccc(C)nc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000373334446 159675576 /nfs/dbraw/zinc/67/55/76/159675576.db2.gz UPYAWUNAJHLYFA-GFCCVEGCSA-N 0 0 306.366 0.947 10 0 DCAERN CCCCCS(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000373377140 159677637 /nfs/dbraw/zinc/67/76/37/159677637.db2.gz KBCTUOMDPOHSMO-CYBMUJFWSA-N 0 0 318.439 0.876 10 0 DCAERN CC1(C)CN(C(=O)CN2CSCC2=O)C[C@@]2(CCOC2)O1 ZINC000373708700 159694352 /nfs/dbraw/zinc/69/43/52/159694352.db2.gz WIVNIIIOVSANIS-CQSZACIVSA-N 0 0 314.407 0.316 10 0 DCAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CC(n2ccnn2)C1 ZINC000374804336 159752976 /nfs/dbraw/zinc/75/29/76/159752976.db2.gz ZIWURAQTTNPYQC-UHFFFAOYSA-N 0 0 324.344 0.573 10 0 DCAERN CCC[C@@H](C)N1C[C@@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000374804076 159753274 /nfs/dbraw/zinc/75/32/74/159753274.db2.gz YGSFWKIHLDNNFF-NEPJUHHUSA-N 0 0 305.382 0.699 10 0 DCAERN CC(C)NS(=O)(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375249274 159779292 /nfs/dbraw/zinc/77/92/92/159779292.db2.gz OPOZQLAJIWMRLI-JTQLQIEISA-N 0 0 300.384 0.979 10 0 DCAERN C=CC(=O)NCCC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375296590 159782676 /nfs/dbraw/zinc/78/26/76/159782676.db2.gz CNCSUTBUKYGLJU-QGZVFWFLSA-N 0 0 313.357 0.801 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000407950319 159994454 /nfs/dbraw/zinc/99/44/54/159994454.db2.gz WFTCDNIRIZQMQC-SNVBAGLBSA-N 0 0 300.384 0.590 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000407990688 160004747 /nfs/dbraw/zinc/00/47/47/160004747.db2.gz QDMRMIDEFXBNFJ-JSGCOSHPSA-N 0 0 323.437 0.912 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000407991165 160005765 /nfs/dbraw/zinc/00/57/65/160005765.db2.gz SOFWZNJGDXBVLY-ZNMIVQPWSA-N 0 0 324.421 0.633 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000407997749 160007153 /nfs/dbraw/zinc/00/71/53/160007153.db2.gz JIHPFYUOBXVNFD-GRYCIOLGSA-N 0 0 319.427 0.277 10 0 DCAERN O=C(CNC(=O)c1cc2c(s1)CCCC2)N1CC[C@@H](O)C1 ZINC000408003954 160008909 /nfs/dbraw/zinc/00/89/09/160008909.db2.gz ZEJIVWNZOOCBOZ-LLVKDONJSA-N 0 0 308.403 0.950 10 0 DCAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000408008785 160009762 /nfs/dbraw/zinc/00/97/62/160009762.db2.gz GAIFQOJRURXEBB-WCQYABFASA-N 0 0 312.435 0.919 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)[C@@H](C)C1 ZINC000408010372 160010351 /nfs/dbraw/zinc/01/03/51/160010351.db2.gz UXRPKMAAGKJNQA-RYUDHWBXSA-N 0 0 305.444 0.150 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CC1(O)CCCCC1 ZINC000408012510 160010591 /nfs/dbraw/zinc/01/05/91/160010591.db2.gz KNWHKDMKYHSWEG-GFCCVEGCSA-N 0 0 303.424 0.965 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCN(C(=O)C(C)C)CC2)no1 ZINC000408014489 160011356 /nfs/dbraw/zinc/01/13/56/160011356.db2.gz OVLUYHGPLIGNEX-UHFFFAOYSA-N 0 0 315.395 0.613 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000408016341 160011840 /nfs/dbraw/zinc/01/18/40/160011840.db2.gz HDZLFDSSOJMZSV-APPZFPTMSA-N 0 0 300.302 0.337 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000408017542 160012182 /nfs/dbraw/zinc/01/21/82/160012182.db2.gz SSRYSPNLQMZXHG-UPJWGTAASA-N 0 0 322.471 0.711 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408015782 160012560 /nfs/dbraw/zinc/01/25/60/160012560.db2.gz FKNRNMDBTHLCTB-STQMWFEESA-N 0 0 306.428 0.148 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(c3cnn(C)c3)CC2)c1 ZINC000408021776 160014109 /nfs/dbraw/zinc/01/41/09/160014109.db2.gz JEHLYBBFINZULD-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]21 ZINC000408024012 160015037 /nfs/dbraw/zinc/01/50/37/160015037.db2.gz WYQIADXTDKFQQI-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)C[C@H]2CCCO2)CC(C)(C)O1 ZINC000408027579 160015687 /nfs/dbraw/zinc/01/56/87/160015687.db2.gz OHGUNKKBQHCVPW-VXGBXAGGSA-N 0 0 307.412 0.621 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@H]1C(N)=O ZINC000408031375 160016447 /nfs/dbraw/zinc/01/64/47/160016447.db2.gz MMVAFUOIXIXJDF-VXNVDRBHSA-N 0 0 304.318 0.707 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC000408030690 160016802 /nfs/dbraw/zinc/01/68/02/160016802.db2.gz MTSVSNAEWMWNNC-CQSZACIVSA-N 0 0 324.425 0.745 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000408034192 160017982 /nfs/dbraw/zinc/01/79/82/160017982.db2.gz CQEJZFXANNTRLZ-KBPBESRZSA-N 0 0 311.426 0.328 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC000408037737 160019387 /nfs/dbraw/zinc/01/93/87/160019387.db2.gz DPVWBPAXLZZNPM-MCIONIFRSA-N 0 0 311.426 0.517 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000408048720 160022610 /nfs/dbraw/zinc/02/26/10/160022610.db2.gz OXWAMQUFPXKUPQ-JTQLQIEISA-N 0 0 303.318 0.938 10 0 DCAERN CCOC[C@@H]1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049640 160023074 /nfs/dbraw/zinc/02/30/74/160023074.db2.gz CJXGIVCJLNILPR-GDBMZVCRSA-N 0 0 312.410 0.635 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000408047381 160023265 /nfs/dbraw/zinc/02/32/65/160023265.db2.gz ZTCSHOZZPXGMER-HNNXBMFYSA-N 0 0 319.317 0.845 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C12CCC2 ZINC000408051884 160023696 /nfs/dbraw/zinc/02/36/96/160023696.db2.gz JPEOKESNZZQRFX-VBQJREDUSA-N 0 0 324.421 0.824 10 0 DCAERN C[C@H]1OCC[C@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053226 160024523 /nfs/dbraw/zinc/02/45/23/160024523.db2.gz NZNBVQICNOEKSL-LPWJVIDDSA-N 0 0 314.357 0.209 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C1 ZINC000408055336 160025307 /nfs/dbraw/zinc/02/53/07/160025307.db2.gz TXCYNVBSMOZISW-OFQRWUPVSA-N 0 0 312.410 0.369 10 0 DCAERN C[C@@]1(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CCCO1 ZINC000408067891 160027037 /nfs/dbraw/zinc/02/70/37/160027037.db2.gz FTEBLUODWDIBLR-HNNXBMFYSA-N 0 0 321.381 0.297 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408068851 160027951 /nfs/dbraw/zinc/02/79/51/160027951.db2.gz YDSKAPKFFQFLQS-ZJUUUORDSA-N 0 0 300.384 0.003 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000408075978 160030412 /nfs/dbraw/zinc/03/04/12/160030412.db2.gz ARHNNINSKMOKCE-PHIMTYICSA-N 0 0 309.391 0.991 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000408083490 160031498 /nfs/dbraw/zinc/03/14/98/160031498.db2.gz WMBNZGIPGLNRAL-LBPRGKRZSA-N 0 0 303.428 0.564 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cn1C ZINC000408087600 160032283 /nfs/dbraw/zinc/03/22/83/160032283.db2.gz FDNLZXZXFAFWKZ-JOYOIKCWSA-N 0 0 316.379 0.203 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H](C)C2)CCO1 ZINC000408086629 160032455 /nfs/dbraw/zinc/03/24/55/160032455.db2.gz KNDNNCAKIGJFKY-TUAOUCFPSA-N 0 0 300.355 0.385 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cn1cnc2sccc2c1=O ZINC000408111803 160038091 /nfs/dbraw/zinc/03/80/91/160038091.db2.gz FWEXWYZPBTWBGI-SNVBAGLBSA-N 0 0 306.391 0.621 10 0 DCAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N1CC[C@@H](O)C1 ZINC000408110147 160038143 /nfs/dbraw/zinc/03/81/43/160038143.db2.gz LOEHGMNNMDLYMY-MRVPVSSYSA-N 0 0 304.393 0.205 10 0 DCAERN CC(C)[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408117622 160040164 /nfs/dbraw/zinc/04/01/64/160040164.db2.gz FQWWZZTYZUIGCI-RDBSUJKOSA-N 0 0 312.410 0.801 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@@H](C3CCC3)C2)O1 ZINC000408121125 160041245 /nfs/dbraw/zinc/04/12/45/160041245.db2.gz LNPQFWSQNORKAI-MELADBBJSA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCSC[C@@H]1CCO ZINC000408127009 160043051 /nfs/dbraw/zinc/04/30/51/160043051.db2.gz UMRLBYAFPCSWOJ-QWRGUYRKSA-N 0 0 304.437 0.234 10 0 DCAERN C[C@@H]1CCCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H]1CO ZINC000408136630 160045259 /nfs/dbraw/zinc/04/52/59/160045259.db2.gz GHFFYVPIJZNBOM-KOLCDFICSA-N 0 0 309.391 0.582 10 0 DCAERN Cn1cc(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000408136122 160045261 /nfs/dbraw/zinc/04/52/61/160045261.db2.gz BGCOWTKRRNFASO-CQSZACIVSA-N 0 0 319.409 0.964 10 0 DCAERN Cc1c[nH]cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1=O ZINC000408135870 160045341 /nfs/dbraw/zinc/04/53/41/160045341.db2.gz ZMPOCRCVWBDRCB-GXTWGEPZSA-N 0 0 305.378 0.476 10 0 DCAERN CN(C)c1nnc(SC[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000408146806 160047514 /nfs/dbraw/zinc/04/75/14/160047514.db2.gz VJKRHCJSELBRRL-MRVPVSSYSA-N 0 0 322.481 0.978 10 0 DCAERN C[C@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)CCC1=O ZINC000408157135 160049855 /nfs/dbraw/zinc/04/98/55/160049855.db2.gz AGFWHDFRUNRSGD-LBPRGKRZSA-N 0 0 316.423 0.630 10 0 DCAERN CC[C@@H]1C[C@H](CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408170644 160051958 /nfs/dbraw/zinc/05/19/58/160051958.db2.gz VOOIXKHVYSQFPN-FRRDWIJNSA-N 0 0 318.439 0.732 10 0 DCAERN CCNC(=O)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408168011 160051985 /nfs/dbraw/zinc/05/19/85/160051985.db2.gz ZQNQEQAEJHRFOE-AAEUAGOBSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000408175599 160052556 /nfs/dbraw/zinc/05/25/56/160052556.db2.gz VRAOKHGTGVLGEJ-NXEZZACHSA-N 0 0 308.400 0.272 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N3CCC[C@@H](O)C3)CCC(=O)N2C)cn1 ZINC000408174235 160052835 /nfs/dbraw/zinc/05/28/35/160052835.db2.gz QKFAQUTZQDLDJC-VNHYZAJKSA-N 0 0 320.393 0.313 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCO2)cc1 ZINC000408176605 160053695 /nfs/dbraw/zinc/05/36/95/160053695.db2.gz FRIVDKNNCYBACU-UHFFFAOYSA-N 0 0 320.392 0.263 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408181956 160054695 /nfs/dbraw/zinc/05/46/95/160054695.db2.gz GVRBDKFNKHJHNA-TZMCWYRMSA-N 0 0 308.403 0.867 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000408187608 160055065 /nfs/dbraw/zinc/05/50/65/160055065.db2.gz OVLNLTYMHMSJCP-IACUBPJLSA-N 0 0 324.402 0.438 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@H](S(N)(=O)=O)C2)n1C ZINC000408196576 160057465 /nfs/dbraw/zinc/05/74/65/160057465.db2.gz DQHPKAYTQUYIFB-JTQLQIEISA-N 0 0 301.416 0.191 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)CC(=O)N1 ZINC000408197234 160057637 /nfs/dbraw/zinc/05/76/37/160057637.db2.gz HGNJTODTIRAYHV-CHWSQXEVSA-N 0 0 317.389 0.956 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCS1(=O)=O ZINC000408198257 160057645 /nfs/dbraw/zinc/05/76/45/160057645.db2.gz QGRWCUFHHWEZDO-LLVKDONJSA-N 0 0 324.402 0.648 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(c3nccn3C)CC2)CC(=O)N1 ZINC000408200918 160058610 /nfs/dbraw/zinc/05/86/10/160058610.db2.gz FUARPWDNVYVCBJ-QWHCGFSZSA-N 0 0 319.409 0.374 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408204740 160059018 /nfs/dbraw/zinc/05/90/18/160059018.db2.gz OQZYUJWRTPXNSV-SBMIAAHKSA-N 0 0 308.300 0.817 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408202666 160059277 /nfs/dbraw/zinc/05/92/77/160059277.db2.gz JILTYYDXPHUJCU-SNVBAGLBSA-N 0 0 318.420 0.254 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CCO2)[nH]1 ZINC000408201844 160059306 /nfs/dbraw/zinc/05/93/06/160059306.db2.gz GOZROCACPZHGIV-MXWKQRLJSA-N 0 0 321.381 0.182 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)N1CCOCC1)CC2 ZINC000408207234 160060112 /nfs/dbraw/zinc/06/01/12/160060112.db2.gz RFABUDMSOZOZSM-OLZOCXBDSA-N 0 0 321.425 0.553 10 0 DCAERN O=C(c1ccc2nncn2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000408231197 160064357 /nfs/dbraw/zinc/06/43/57/160064357.db2.gz LIEJUPFSXJOMJU-ZDUSSCGKSA-N 0 0 301.350 0.276 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408236779 160066185 /nfs/dbraw/zinc/06/61/85/160066185.db2.gz KCADUHKFPDSQPA-JTQLQIEISA-N 0 0 315.482 0.578 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000408236042 160066212 /nfs/dbraw/zinc/06/62/12/160066212.db2.gz LNONZSZSZGBAHS-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(=O)NC(C)(C)C ZINC000408238464 160066823 /nfs/dbraw/zinc/06/68/23/160066823.db2.gz SDYAODNTAJTFQI-MXWKQRLJSA-N 0 0 321.443 0.233 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)CCCF ZINC000408242477 160067949 /nfs/dbraw/zinc/06/79/49/160067949.db2.gz VBEKMQSWBMUSRD-VHSXEESVSA-N 0 0 316.420 0.126 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cn(C)nc3C)CCO2)n1 ZINC000408246045 160068535 /nfs/dbraw/zinc/06/85/35/160068535.db2.gz KDAPSAUCQIGWHL-ZDUSSCGKSA-N 0 0 318.381 0.478 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](CCO)C1)CC2 ZINC000408249230 160068955 /nfs/dbraw/zinc/06/89/55/160068955.db2.gz QVEVBZOLDVEISQ-RYUDHWBXSA-N 0 0 307.398 0.569 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408249196 160069384 /nfs/dbraw/zinc/06/93/84/160069384.db2.gz ZCNZZSHYZQBQQE-MRXNPFEDSA-N 0 0 304.394 0.708 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408251666 160069789 /nfs/dbraw/zinc/06/97/89/160069789.db2.gz FEHLKRUNKCXQQH-OAHLLOKOSA-N 0 0 310.398 0.213 10 0 DCAERN CC[C@@H]1C[C@@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408250043 160070037 /nfs/dbraw/zinc/07/00/37/160070037.db2.gz HFVWPMGAUCMNCM-GHMZBOCLSA-N 0 0 303.366 0.777 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)no1 ZINC000408254781 160070581 /nfs/dbraw/zinc/07/05/81/160070581.db2.gz OZSPPXCWXMGRNL-LBPRGKRZSA-N 0 0 321.381 0.922 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@H](O)C(C)(C)C3)nc2n1 ZINC000408266683 160072828 /nfs/dbraw/zinc/07/28/28/160072828.db2.gz RLQLGKJRIJQQPC-NSHDSACASA-N 0 0 303.366 0.513 10 0 DCAERN CC[C@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)N1CCCC1=O ZINC000408272933 160073555 /nfs/dbraw/zinc/07/35/55/160073555.db2.gz LBDXNPQLKNFFDN-SKDRFNHKSA-N 0 0 308.300 0.913 10 0 DCAERN CC[C@H](C(=O)N1CC[C@](O)(C(F)(F)F)C1)N1CCCC1=O ZINC000408272930 160073568 /nfs/dbraw/zinc/07/35/68/160073568.db2.gz LBDXNPQLKNFFDN-BXKDBHETSA-N 0 0 308.300 0.913 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)N(C(C)=O)C1 ZINC000408272587 160073622 /nfs/dbraw/zinc/07/36/22/160073622.db2.gz GFDFYSFXJPYGNL-LXTVHRRPSA-N 0 0 312.410 0.942 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408278656 160074935 /nfs/dbraw/zinc/07/49/35/160074935.db2.gz XMEGXMKRBGBUEU-TUAOUCFPSA-N 0 0 322.427 0.612 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000408282641 160075641 /nfs/dbraw/zinc/07/56/41/160075641.db2.gz ZGVWHKOOUUHLDP-MCIONIFRSA-N 0 0 311.426 0.158 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000408291428 160077809 /nfs/dbraw/zinc/07/78/09/160077809.db2.gz YNNFTZNUKSPMKM-RYUDHWBXSA-N 0 0 303.428 0.706 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cnc2ccccn2c1=O ZINC000408292976 160077845 /nfs/dbraw/zinc/07/78/45/160077845.db2.gz WBAMLNCFFOCWHK-JTQLQIEISA-N 0 0 300.318 0.045 10 0 DCAERN CCn1cnc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000408301368 160080145 /nfs/dbraw/zinc/08/01/45/160080145.db2.gz RUWWKGIUSHQZJL-VXGBXAGGSA-N 0 0 300.428 0.864 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000408303974 160080551 /nfs/dbraw/zinc/08/05/51/160080551.db2.gz VESCPDZDQMKBRV-AOOOYVTPSA-N 0 0 303.384 0.681 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408306300 160081475 /nfs/dbraw/zinc/08/14/75/160081475.db2.gz PPRRFCXDGUOURE-VIFPVBQESA-N 0 0 303.302 0.337 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000408309756 160082544 /nfs/dbraw/zinc/08/25/44/160082544.db2.gz YWDOPSPSVFBPQL-ZYHUDNBSSA-N 0 0 319.427 0.135 10 0 DCAERN C[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319469 160084141 /nfs/dbraw/zinc/08/41/41/160084141.db2.gz JBHVOMZLWBIWLY-KBPBESRZSA-N 0 0 323.437 0.424 10 0 DCAERN CC[C@H](C)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408322648 160084619 /nfs/dbraw/zinc/08/46/19/160084619.db2.gz UMDPPLKCSHDHAB-JTQLQIEISA-N 0 0 312.457 0.376 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000408322458 160084792 /nfs/dbraw/zinc/08/47/92/160084792.db2.gz YYACVBCKBKFSQA-ZDUSSCGKSA-N 0 0 305.378 0.736 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCO[C@H]1C ZINC000408322911 160084926 /nfs/dbraw/zinc/08/49/26/160084926.db2.gz WILGRSXXTVQNFJ-USZNOCQGSA-N 0 0 305.396 0.815 10 0 DCAERN C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408325677 160085696 /nfs/dbraw/zinc/08/56/96/160085696.db2.gz CPCRCCIEOLLADL-HZMBPMFUSA-N 0 0 308.407 0.836 10 0 DCAERN CCN1CN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1=O ZINC000408334271 160086766 /nfs/dbraw/zinc/08/67/66/160086766.db2.gz MXLHVZCSYSMYGO-MNOVXSKESA-N 0 0 318.395 0.170 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@](C)(O)C1 ZINC000408348220 160089872 /nfs/dbraw/zinc/08/98/72/160089872.db2.gz ZUEVRLZAOSPWEN-LLVKDONJSA-N 0 0 304.393 0.301 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)N1CCCC1 ZINC000408352935 160090108 /nfs/dbraw/zinc/09/01/08/160090108.db2.gz WOCMSRIGSWLBFD-LLVKDONJSA-N 0 0 306.370 0.316 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ncnn1CC(F)F ZINC000408358971 160091524 /nfs/dbraw/zinc/09/15/24/160091524.db2.gz RNMXIGHYLACLAG-IUCAKERBSA-N 0 0 308.354 0.551 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000408357371 160091540 /nfs/dbraw/zinc/09/15/40/160091540.db2.gz APUWLPYNZKECOF-CABCVRRESA-N 0 0 321.421 0.716 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000408362192 160092414 /nfs/dbraw/zinc/09/24/14/160092414.db2.gz MFCKTOPWSSRBPX-SCZZXKLOSA-N 0 0 304.372 0.384 10 0 DCAERN O=C(CN1CCO[C@H](CO)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000408369102 160093708 /nfs/dbraw/zinc/09/37/08/160093708.db2.gz RJNDCMHKVOCLMA-MNOVXSKESA-N 0 0 310.316 0.480 10 0 DCAERN CC[C@H]1CC[C@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000408368536 160094008 /nfs/dbraw/zinc/09/40/08/160094008.db2.gz JSYLLBNFRKMSNS-MMVSWEMESA-N 0 0 311.382 0.814 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000408385298 160096882 /nfs/dbraw/zinc/09/68/82/160096882.db2.gz LHVFFVKBMKUNKV-MRVPVSSYSA-N 0 0 320.802 0.350 10 0 DCAERN CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408386535 160097669 /nfs/dbraw/zinc/09/76/69/160097669.db2.gz OXJRLQFVCAELEN-VIFPVBQESA-N 0 0 320.802 0.363 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408391971 160099230 /nfs/dbraw/zinc/09/92/30/160099230.db2.gz AKZYYHKKAKDWKM-UPJWGTAASA-N 0 0 318.439 0.588 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)nn1C ZINC000408392524 160099336 /nfs/dbraw/zinc/09/93/36/160099336.db2.gz HNGZNGBWGKDUBU-CYBMUJFWSA-N 0 0 302.382 0.591 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCOCC2)C1 ZINC000408395638 160099542 /nfs/dbraw/zinc/09/95/42/160099542.db2.gz VDVIAHWYKJMYFM-GFCCVEGCSA-N 0 0 319.427 0.277 10 0 DCAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCOC[C@@H]1CO ZINC000408406080 160101888 /nfs/dbraw/zinc/10/18/88/160101888.db2.gz GSGBCUDHMQAZHL-JTQLQIEISA-N 0 0 307.306 0.243 10 0 DCAERN C[C@H]1CCN(C(=O)NCCCN2CCCC2=O)CC[S@]1=O ZINC000408409086 160102592 /nfs/dbraw/zinc/10/25/92/160102592.db2.gz SWXZMZWHXNGXQJ-LAJNKCICSA-N 0 0 315.439 0.551 10 0 DCAERN CC1(O)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000408410761 160102991 /nfs/dbraw/zinc/10/29/91/160102991.db2.gz YJUYWSDELYSYLO-LBPRGKRZSA-N 0 0 304.346 0.590 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(C(C)(C)O)C1 ZINC000408421750 160104211 /nfs/dbraw/zinc/10/42/11/160104211.db2.gz BKGXYMDFARFTKS-LBPRGKRZSA-N 0 0 318.439 0.420 10 0 DCAERN CSC[C@H](CCO)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408435511 160107686 /nfs/dbraw/zinc/10/76/86/160107686.db2.gz XXWZIRLTKJWRBS-MXWKQRLJSA-N 0 0 312.457 0.044 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000408449084 160109955 /nfs/dbraw/zinc/10/99/55/160109955.db2.gz DSCROSRZYMOOAB-XHDPSFHLSA-N 0 0 319.365 0.262 10 0 DCAERN C[C@H]1CCN(C(=O)CN2CCc3ccccc3C2=O)C[C@H]1O ZINC000408448630 160110262 /nfs/dbraw/zinc/11/02/62/160110262.db2.gz YMZJIWFQYNEVDB-SWLSCSKDSA-N 0 0 302.374 0.914 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(C)s1 ZINC000408454243 160111726 /nfs/dbraw/zinc/11/17/26/160111726.db2.gz UWBANWNPVJGPGH-ZDUSSCGKSA-N 0 0 308.363 0.574 10 0 DCAERN CC1(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408457860 160112771 /nfs/dbraw/zinc/11/27/71/160112771.db2.gz CVMLZRRJHBMQIY-ZJUUUORDSA-N 0 0 310.441 0.319 10 0 DCAERN CCC1(CC)CN(C(=O)C2CC(C)(O)C2)CCS1(=O)=O ZINC000408459923 160112854 /nfs/dbraw/zinc/11/28/54/160112854.db2.gz ZVLOEYYOXIPIJT-UHFFFAOYSA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000246413461 286884114 /nfs/dbraw/zinc/88/41/14/286884114.db2.gz VAQRYNJPMJGFRK-UUWGUWTESA-N 0 0 312.410 0.983 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CCc2ccccn2)cc1 ZINC000062931164 286902438 /nfs/dbraw/zinc/90/24/38/286902438.db2.gz VRHXBMLRPQEITJ-UHFFFAOYSA-N 0 0 319.386 0.978 10 0 DCAERN Cc1nc(C)c(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)s1 ZINC000074358969 286916091 /nfs/dbraw/zinc/91/60/91/286916091.db2.gz GORIOGYJEXBPJJ-UHFFFAOYSA-N 0 0 324.406 0.749 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)CC2CC2)s1 ZINC000083140650 286929999 /nfs/dbraw/zinc/92/99/99/286929999.db2.gz AIKCGWOXHHCYDZ-UHFFFAOYSA-N 0 0 310.422 0.225 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-n2ccnn2)cc1 ZINC000089853765 286933173 /nfs/dbraw/zinc/93/31/73/286933173.db2.gz HPHHEBHMWRFVTK-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000127687150 286978796 /nfs/dbraw/zinc/97/87/96/286978796.db2.gz FSKQTRHDLBRXJU-NOZJJQNGSA-N 0 0 309.414 0.921 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)NCc1ccco1 ZINC000128762202 286984656 /nfs/dbraw/zinc/98/46/56/286984656.db2.gz KBKJOGSUEQLBRE-SECBINFHSA-N 0 0 318.333 0.152 10 0 DCAERN COCCn1nc(C(=O)NCc2cccc(C)n2)ccc1=O ZINC000130417464 286994006 /nfs/dbraw/zinc/99/40/06/286994006.db2.gz DPXBMXGYQNEQKZ-UHFFFAOYSA-N 0 0 302.334 0.523 10 0 DCAERN NC(=O)COCCNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000131246620 286998845 /nfs/dbraw/zinc/99/88/45/286998845.db2.gz MGYAQOIJRSTKAH-UHFFFAOYSA-N 0 0 324.287 0.382 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000132224274 287004606 /nfs/dbraw/zinc/00/46/06/287004606.db2.gz JUQODMIRWGYLQF-VXGBXAGGSA-N 0 0 324.425 0.779 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1CCCC12CCC2 ZINC000366861925 292490007 /nfs/dbraw/zinc/49/00/07/292490007.db2.gz GRZCAODORMWBDN-UHFFFAOYSA-N 0 0 306.428 0.845 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000131351947 287000118 /nfs/dbraw/zinc/00/01/18/287000118.db2.gz CVRWWCLDCFREGF-UHFFFAOYSA-N 0 0 315.329 0.549 10 0 DCAERN COC[C@H](O)CCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000133926290 287014298 /nfs/dbraw/zinc/01/42/98/287014298.db2.gz HBBHAQILYVQOCJ-GXFFZTMASA-N 0 0 312.414 0.665 10 0 DCAERN COC(=O)NC(C)(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133995118 287014727 /nfs/dbraw/zinc/01/47/27/287014727.db2.gz IZXXYFLNAXTTHC-SNVBAGLBSA-N 0 0 323.397 0.967 10 0 DCAERN Cc1cccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000134213939 287015141 /nfs/dbraw/zinc/01/51/41/287015141.db2.gz PMGJYSXBLLZUTR-LBPRGKRZSA-N 0 0 311.407 0.678 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000136107037 287025552 /nfs/dbraw/zinc/02/55/52/287025552.db2.gz DJPIJKXJNZDWTL-CQSZACIVSA-N 0 0 322.471 0.689 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150903485 287031057 /nfs/dbraw/zinc/03/10/57/287031057.db2.gz HCTRTZHBPRVAGZ-UHFFFAOYSA-N 0 0 314.349 0.867 10 0 DCAERN COCCCOC1CN(C(=O)COc2c(C)nn(C)c2C)C1 ZINC000151216155 287032420 /nfs/dbraw/zinc/03/24/20/287032420.db2.gz KOTQBSPTOBWGLJ-UHFFFAOYSA-N 0 0 311.382 0.680 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000141315864 287029777 /nfs/dbraw/zinc/02/97/77/287029777.db2.gz ZTVSOZWHIFPUOS-YUMQZZPRSA-N 0 0 302.318 0.725 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)CC(=O)OC)C[C@H]1C ZINC000150727054 287030333 /nfs/dbraw/zinc/03/03/33/287030333.db2.gz NEVAWVIFSTXIQE-QWHCGFSZSA-N 0 0 300.399 0.755 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](COC)C1CC1 ZINC000151757185 287036099 /nfs/dbraw/zinc/03/60/99/287036099.db2.gz XXYIJKZODCHJOR-QWHCGFSZSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153522472 287050903 /nfs/dbraw/zinc/05/09/03/287050903.db2.gz NKSKHAKRIQJDOU-SNVBAGLBSA-N 0 0 310.737 0.949 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000153519964 287050927 /nfs/dbraw/zinc/05/09/27/287050927.db2.gz AIYFWOFPQIWDMV-QWRGUYRKSA-N 0 0 321.381 0.392 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1C ZINC000185822401 287057229 /nfs/dbraw/zinc/05/72/29/287057229.db2.gz SQJHANYAWCXHPV-LLVKDONJSA-N 0 0 310.354 0.182 10 0 DCAERN C[C@H]1CC(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H](C)O1 ZINC000245597894 287071219 /nfs/dbraw/zinc/07/12/19/287071219.db2.gz DFUSLYLDYPCWDN-SRVKXCTJSA-N 0 0 318.439 0.682 10 0 DCAERN C[C@H](O)CCNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC[C@H](C)O ZINC000245930905 287074301 /nfs/dbraw/zinc/07/43/01/287074301.db2.gz YNAFKGYMEVZRFT-ZDEQEGDKSA-N 0 0 300.399 0.177 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000246083113 287076175 /nfs/dbraw/zinc/07/61/75/287076175.db2.gz HRRARWQYSZOKLJ-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000246092291 287076563 /nfs/dbraw/zinc/07/65/63/287076563.db2.gz KBNWQCSLQXOZAA-RDBSUJKOSA-N 0 0 320.455 0.272 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(CC)CC)CCN1C[C@H](C)O ZINC000246087467 287076687 /nfs/dbraw/zinc/07/66/87/287076687.db2.gz IXKUOSAZYBCESS-QWHCGFSZSA-N 0 0 307.460 0.350 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246103603 287076844 /nfs/dbraw/zinc/07/68/44/287076844.db2.gz MZTDCCKOZCKPIK-STQMWFEESA-N 0 0 307.460 0.350 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246171517 287078197 /nfs/dbraw/zinc/07/81/97/287078197.db2.gz HTUKUFLDDUYGOB-HBNTYKKESA-N 0 0 300.403 0.359 10 0 DCAERN Cc1cc(CN(C)S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)no1 ZINC000246182972 287078612 /nfs/dbraw/zinc/07/86/12/287078612.db2.gz NLNWKIFZKQDFBA-MWLCHTKSSA-N 0 0 303.384 0.769 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)C1 ZINC000246388245 287082751 /nfs/dbraw/zinc/08/27/51/287082751.db2.gz JOUUINKVNUORER-AGIUHOORSA-N 0 0 317.455 0.688 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](COC)C1CC1 ZINC000246366220 287082321 /nfs/dbraw/zinc/08/23/21/287082321.db2.gz XXYIJKZODCHJOR-OLZOCXBDSA-N 0 0 318.439 0.732 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)n2cncn2)C[C@H]1CC ZINC000246823978 287088230 /nfs/dbraw/zinc/08/82/30/287088230.db2.gz CCCYFVHJBCJOAD-UONOGXRCSA-N 0 0 309.414 0.798 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246984329 287089975 /nfs/dbraw/zinc/08/99/75/287089975.db2.gz FQTDGDJIAPPBOP-ZIAGYGMSSA-N 0 0 320.455 0.538 10 0 DCAERN O=C(CN1CCCN(C[C@@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000248503971 287098034 /nfs/dbraw/zinc/09/80/34/287098034.db2.gz VGBSPBABYSNRHF-GFCCVEGCSA-N 0 0 323.359 0.540 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC000247560667 287094495 /nfs/dbraw/zinc/09/44/95/287094495.db2.gz RTWKKQSXXNVZSS-MVWJERBFSA-N 0 0 307.398 0.992 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C)C(=O)OC ZINC000248836905 287101858 /nfs/dbraw/zinc/10/18/58/287101858.db2.gz NVGSAEXNIWEPDW-AIUMHDJVSA-N 0 0 314.426 0.924 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248863245 287102201 /nfs/dbraw/zinc/10/22/01/287102201.db2.gz ALNXLHLEJIVXBY-XXILOJSOSA-N 0 0 316.354 0.449 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000248737274 287100931 /nfs/dbraw/zinc/10/09/31/287100931.db2.gz NVVLWBPSYBZTHJ-MNOVXSKESA-N 0 0 324.356 0.073 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000249463382 287111199 /nfs/dbraw/zinc/11/11/99/287111199.db2.gz POXATWMNPPSZKI-AWEZNQCLSA-N 0 0 312.435 0.991 10 0 DCAERN CO[C@@H]1CN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005535 287120341 /nfs/dbraw/zinc/12/03/41/287120341.db2.gz WZYYDNYCWFODMV-FVCCEPFGSA-N 0 0 318.439 0.035 10 0 DCAERN C[C@H](C1CC1)N(C(=O)CN1CCN(CCO)[C@@H](C)C1)C1CC1 ZINC000249601773 287116061 /nfs/dbraw/zinc/11/60/61/287116061.db2.gz YNRAIJVTLYJXRN-UONOGXRCSA-N 0 0 309.454 0.774 10 0 DCAERN CC[C@@H]1CN(C(=O)C2(O)CCOCC2)CCN1CC(F)F ZINC000408320429 287128705 /nfs/dbraw/zinc/12/87/05/287128705.db2.gz OJERXFAFSNWGMS-LLVKDONJSA-N 0 0 306.353 0.716 10 0 DCAERN C[C@@H](c1cccnc1)N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000172815584 287154636 /nfs/dbraw/zinc/15/46/36/287154636.db2.gz CAOVMDPJVGMHLH-ZDUSSCGKSA-N 0 0 304.394 0.765 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC000357269882 287205112 /nfs/dbraw/zinc/20/51/12/287205112.db2.gz OPRVAROALQZZML-BDAKNGLRSA-N 0 0 316.308 0.578 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358311754 287206870 /nfs/dbraw/zinc/20/68/70/287206870.db2.gz RZIIWSCBTCGGMV-CHWSQXEVSA-N 0 0 306.362 0.763 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000408061447 287233198 /nfs/dbraw/zinc/23/31/98/287233198.db2.gz LCJAQTPZMQUJIE-VIFPVBQESA-N 0 0 302.421 0.928 10 0 DCAERN Cc1ncc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)[nH]1 ZINC000331636954 415163015 /nfs/dbraw/zinc/16/30/15/415163015.db2.gz ZWJLNSDCZWSQPL-QWRGUYRKSA-N 0 0 304.329 0.855 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000331668972 415178709 /nfs/dbraw/zinc/17/87/09/415178709.db2.gz VZQVQVULDBIDKM-NEPJUHHUSA-N 0 0 302.396 0.220 10 0 DCAERN CN(C)C(=O)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000026188564 415166320 /nfs/dbraw/zinc/16/63/20/415166320.db2.gz HZPAUGGBAAJFJN-UHFFFAOYSA-N 0 0 318.421 0.009 10 0 DCAERN CCn1cnc2c1ncnc2N1CCS(=O)(=O)C(C)(C)C1 ZINC000268271684 415186707 /nfs/dbraw/zinc/18/67/07/415186707.db2.gz ULMITSTVJFTOMU-UHFFFAOYSA-N 0 0 309.395 0.860 10 0 DCAERN C[C@H](C(=O)NCc1nccn1C)N1C(=O)c2ccccc2C1=O ZINC000041539228 415200052 /nfs/dbraw/zinc/20/00/52/415200052.db2.gz RNCIAEFIFOFVNJ-SNVBAGLBSA-N 0 0 312.329 0.721 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000268441270 415215347 /nfs/dbraw/zinc/21/53/47/415215347.db2.gz ZWYUHGJYAJZKSY-UHFFFAOYSA-N 0 0 311.407 0.797 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)NCc1cccnc1N(C)C ZINC000046287018 415258944 /nfs/dbraw/zinc/25/89/44/415258944.db2.gz RIMUBWQSIJOEPT-CQSZACIVSA-N 0 0 324.425 0.980 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)N[C@@H](C)C3=O)C2=O)n(C)n1 ZINC000272047518 415270510 /nfs/dbraw/zinc/27/05/10/415270510.db2.gz AZLAAVPXOHNYAD-UWVGGRQHSA-N 0 0 305.338 0.164 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051996774 415320033 /nfs/dbraw/zinc/32/00/33/415320033.db2.gz PKSROCHHXCQHHJ-UTUOFQBUSA-N 0 0 304.412 0.220 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)NCc1cccnc1N(C)C ZINC000056399548 415332381 /nfs/dbraw/zinc/33/23/81/415332381.db2.gz JATQSRIYFJFEEB-GFCCVEGCSA-N 0 0 319.409 0.958 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275988525 415404831 /nfs/dbraw/zinc/40/48/31/415404831.db2.gz ORPJEGSDJPYMCT-ZDUSSCGKSA-N 0 0 319.409 0.891 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCCO1 ZINC000067201437 415376259 /nfs/dbraw/zinc/37/62/59/415376259.db2.gz HJHFXXXHVKHPHM-KBPBESRZSA-N 0 0 306.362 0.218 10 0 DCAERN CCOCCNC(=O)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000084715627 415500910 /nfs/dbraw/zinc/50/09/10/415500910.db2.gz IRFFQBQKRGBKJI-GFCCVEGCSA-N 0 0 300.399 0.803 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cnn1 ZINC000276236450 415457360 /nfs/dbraw/zinc/45/73/60/415457360.db2.gz PSFWGVRFONOELY-GFCCVEGCSA-N 0 0 306.391 0.923 10 0 DCAERN CC(=O)NC1CN(C(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000276321575 415470856 /nfs/dbraw/zinc/47/08/56/415470856.db2.gz WXQCZPCQUMOIJH-UHFFFAOYSA-N 0 0 319.386 0.472 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000332784255 415471653 /nfs/dbraw/zinc/47/16/53/415471653.db2.gz AFOGNINIVZCMJD-DCAQKATOSA-N 0 0 313.423 0.281 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000333030349 415535305 /nfs/dbraw/zinc/53/53/05/415535305.db2.gz CBCMLOUNRCUGQH-ZYHUDNBSSA-N 0 0 305.382 0.686 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)C1 ZINC000092569532 415538673 /nfs/dbraw/zinc/53/86/73/415538673.db2.gz BCHIVGUVFOKZNX-NQBHXWOUSA-N 0 0 318.439 0.730 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000091779775 415539006 /nfs/dbraw/zinc/53/90/06/415539006.db2.gz PAKVDZFRWOEAEQ-ZDUSSCGKSA-N 0 0 318.308 0.338 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)N1CCCC1 ZINC000333158156 415572891 /nfs/dbraw/zinc/57/28/91/415572891.db2.gz HUYKUOQKQHVBFA-WCQYABFASA-N 0 0 314.411 0.428 10 0 DCAERN O=S(=O)(NC[C@H](CO)[C@H]1CCOC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333161864 415574547 /nfs/dbraw/zinc/57/45/47/415574547.db2.gz MATHVIZSWZHYRL-MBJXGIAVSA-N 0 0 303.424 0.739 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333302841 415603070 /nfs/dbraw/zinc/60/30/70/415603070.db2.gz MPRXNIQSKCUFHW-AGIUHOORSA-N 0 0 307.398 0.668 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333302844 415604336 /nfs/dbraw/zinc/60/43/36/415604336.db2.gz MPRXNIQSKCUFHW-JHJVBQTASA-N 0 0 307.398 0.668 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)COC)s1 ZINC000103429310 415616002 /nfs/dbraw/zinc/61/60/02/415616002.db2.gz NPVUEGBPXLQSIH-QMMMGPOBSA-N 0 0 306.409 0.555 10 0 DCAERN Cc1ccc(N2CCCN(CC(=O)N3CCOCC3)CC2)nn1 ZINC000105800812 415629575 /nfs/dbraw/zinc/62/95/75/415629575.db2.gz YMKHOHHTALVYIX-UHFFFAOYSA-N 0 0 319.409 0.156 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333379793 415629646 /nfs/dbraw/zinc/62/96/46/415629646.db2.gz XHUZXDLDNMQGDT-GHMZBOCLSA-N 0 0 300.384 0.493 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106431966 415643856 /nfs/dbraw/zinc/64/38/56/415643856.db2.gz IELFAVUCLWLYQI-DOTOQJQBSA-N 0 0 319.449 0.996 10 0 DCAERN C[C@H]1CN(c2nnc(-c3cccn3C)n2C)CCS1(=O)=O ZINC000283331724 415590288 /nfs/dbraw/zinc/59/02/88/415590288.db2.gz ZOTUPDGSPDYDCJ-JTQLQIEISA-N 0 0 309.395 0.444 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCO[C@@H](CO)C2)cn1 ZINC000333485817 415664568 /nfs/dbraw/zinc/66/45/68/415664568.db2.gz TVQOCBQIFDIZDX-HZSPNIEDSA-N 0 0 309.366 0.200 10 0 DCAERN C[NH+](C)C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000107304965 415665277 /nfs/dbraw/zinc/66/52/77/415665277.db2.gz XTQHJYLJWCUVKJ-JTQLQIEISA-N 0 0 308.407 0.747 10 0 DCAERN CCc1nc(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)cs1 ZINC000107616951 415673397 /nfs/dbraw/zinc/67/33/97/415673397.db2.gz MUTPUSOXVZXOLS-JTQLQIEISA-N 0 0 311.407 0.817 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@H](SC)C2)nn1 ZINC000333557614 415679752 /nfs/dbraw/zinc/67/97/52/415679752.db2.gz KKUYLAVRTWSGMG-MVWJERBFSA-N 0 0 312.395 0.442 10 0 DCAERN CC(C)(CNc1nccn(C2CC2)c1=O)NS(C)(=O)=O ZINC000111774172 415696364 /nfs/dbraw/zinc/69/63/64/415696364.db2.gz BVZHTPJIXRNXHS-UHFFFAOYSA-N 0 0 300.384 0.318 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCNC(=O)CC3)O2)n1 ZINC000333733587 415724959 /nfs/dbraw/zinc/72/49/59/415724959.db2.gz QAXCYPCTUNVXFR-MNOVXSKESA-N 0 0 323.353 0.130 10 0 DCAERN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112654107 415710737 /nfs/dbraw/zinc/71/07/37/415710737.db2.gz WORGWSOVZXYIBM-NWDGAFQWSA-N 0 0 321.381 0.578 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCCN1c1nccs1 ZINC000112659635 415711459 /nfs/dbraw/zinc/71/14/59/415711459.db2.gz VJIVBJPVIQVOBK-GHMZBOCLSA-N 0 0 318.406 0.835 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@H]1CCc3n[nH]cc3C1)c2O ZINC000119252509 415739651 /nfs/dbraw/zinc/73/96/51/415739651.db2.gz LDGONTZEYHPRCZ-VIFPVBQESA-N 0 0 312.333 0.684 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)N1CCOCC1 ZINC000119664690 415749187 /nfs/dbraw/zinc/74/91/87/415749187.db2.gz UWHBMBDMZYGMCG-UONOGXRCSA-N 0 0 311.426 0.376 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1C ZINC000124196458 415848768 /nfs/dbraw/zinc/84/87/68/415848768.db2.gz IOUFUZAOEVGIJU-RYUDHWBXSA-N 0 0 321.377 0.573 10 0 DCAERN Cn1ncc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1-n1cccc1 ZINC000124139958 415848870 /nfs/dbraw/zinc/84/88/70/415848870.db2.gz AIZIQSGSAMZXHQ-ZIAGYGMSSA-N 0 0 315.377 0.366 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000120908735 415785006 /nfs/dbraw/zinc/78/50/06/415785006.db2.gz TUTYYTGEQKKLJA-CQSZACIVSA-N 0 0 309.414 0.554 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)NCCCN1CCCC1=O ZINC000120896514 415786620 /nfs/dbraw/zinc/78/66/20/415786620.db2.gz CHENKKHQCKKJAX-UHFFFAOYSA-N 0 0 308.382 0.544 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1COC(=O)C1 ZINC000121523681 415808319 /nfs/dbraw/zinc/80/83/19/415808319.db2.gz AGQIHJLOXMOYTB-ZIAGYGMSSA-N 0 0 318.373 0.755 10 0 DCAERN CC(=O)c1ccccc1C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000354709435 415813957 /nfs/dbraw/zinc/81/39/57/415813957.db2.gz RSSUHSWTRAEGBV-UHFFFAOYSA-N 0 0 313.317 0.277 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCS1(=O)=O ZINC000121771390 415817177 /nfs/dbraw/zinc/81/71/77/415817177.db2.gz BAKCVGAFSANKLU-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN CN(C(=O)CN1CCCC1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000121968861 415821763 /nfs/dbraw/zinc/82/17/63/415821763.db2.gz KMKMHXKIUAAJQL-ZDUSSCGKSA-N 0 0 317.393 0.526 10 0 DCAERN O=S(=O)(CCCOCc1ccccc1)NCCc1nnc[nH]1 ZINC000290755893 415823172 /nfs/dbraw/zinc/82/31/72/415823172.db2.gz NAUYUERPRMAKAO-UHFFFAOYSA-N 0 0 324.406 0.874 10 0 DCAERN O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000126354029 415875113 /nfs/dbraw/zinc/87/51/13/415875113.db2.gz IFLBYFRZRZXWRY-STQMWFEESA-N 0 0 316.423 0.486 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000126784798 415878618 /nfs/dbraw/zinc/87/86/18/415878618.db2.gz XGZTWMOTDZPWAE-GWCFXTLKSA-N 0 0 324.402 0.909 10 0 DCAERN CC1(C)CCC[C@@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000127780926 415891839 /nfs/dbraw/zinc/89/18/39/415891839.db2.gz AFXADFQRWPVICD-LBPRGKRZSA-N 0 0 317.455 0.941 10 0 DCAERN C[C@H](NC(=O)c1noc2c1CCCC2)C(=O)N1CCOCC1 ZINC000130150440 415915309 /nfs/dbraw/zinc/91/53/09/415915309.db2.gz RQGNPQKBDYIFAB-JTQLQIEISA-N 0 0 307.350 0.531 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000129918455 415916286 /nfs/dbraw/zinc/91/62/86/415916286.db2.gz RIHLBQAMDPFIHK-CYBMUJFWSA-N 0 0 315.373 0.935 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000130421942 415917316 /nfs/dbraw/zinc/91/73/16/415917316.db2.gz ZSYVVGCJZWJODS-UHFFFAOYSA-N 0 0 323.437 0.805 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000337172660 415922626 /nfs/dbraw/zinc/92/26/26/415922626.db2.gz MIXTVHGXYOMRQI-GMTAPVOTSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000130883613 415924674 /nfs/dbraw/zinc/92/46/74/415924674.db2.gz KSJAESXQOAYXIF-QWRGUYRKSA-N 0 0 317.345 0.326 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)N1CCCCCC1 ZINC000130861921 415925224 /nfs/dbraw/zinc/92/52/24/415925224.db2.gz VCLXYJQPAZQXKL-UHFFFAOYSA-N 0 0 320.393 0.647 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000131062346 415926908 /nfs/dbraw/zinc/92/69/08/415926908.db2.gz YELJQDNCSDAOIR-CHWSQXEVSA-N 0 0 314.430 0.393 10 0 DCAERN CN1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCCC3)CCC1=O ZINC000133185318 415941940 /nfs/dbraw/zinc/94/19/40/415941940.db2.gz LYNMDELUMRUIGX-LBPRGKRZSA-N 0 0 317.389 0.994 10 0 DCAERN CNC(=O)c1cccc(CNS(=O)(=O)CCCCOC)c1 ZINC000133307923 415943761 /nfs/dbraw/zinc/94/37/61/415943761.db2.gz SCJNHGUCSQOLLZ-UHFFFAOYSA-N 0 0 314.407 0.892 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)cnc1Cl ZINC000133709062 415948701 /nfs/dbraw/zinc/94/87/01/415948701.db2.gz ISIUXUDIDGFNOU-UHFFFAOYSA-N 0 0 310.741 0.330 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(C)CC1 ZINC000133729174 415949068 /nfs/dbraw/zinc/94/90/68/415949068.db2.gz BGBOXKPVZXLAHA-UHFFFAOYSA-N 0 0 312.391 0.718 10 0 DCAERN O=C(Nc1ccc2c(c1)CCC2)C(=O)N1CCNC(=O)CC1 ZINC000133696989 415949830 /nfs/dbraw/zinc/94/98/30/415949830.db2.gz BDJCDGJBPGZBEV-UHFFFAOYSA-N 0 0 301.346 0.462 10 0 DCAERN CCOc1cccc(CNC(=O)CN2C[C@@H](OC)C[C@H]2CO)c1 ZINC000344733698 415978986 /nfs/dbraw/zinc/97/89/86/415978986.db2.gz WYWPROXQFIFJSV-HOCLYGCPSA-N 0 0 322.405 0.783 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000153291356 415979152 /nfs/dbraw/zinc/97/91/52/415979152.db2.gz XZRUDXBLXMWAGQ-STQMWFEESA-N 0 0 303.362 0.081 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000153611539 415983453 /nfs/dbraw/zinc/98/34/53/415983453.db2.gz IAQRWCTYUDDFKO-WDEREUQCSA-N 0 0 320.384 0.882 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000155041552 415993322 /nfs/dbraw/zinc/99/33/22/415993322.db2.gz DZQFEPYQDGPPLF-ZDUSSCGKSA-N 0 0 301.350 0.328 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)CCC1=O ZINC000172619291 416046734 /nfs/dbraw/zinc/04/67/34/416046734.db2.gz OIMLVXQUEVXWLE-ZLDLUXBVSA-N 0 0 303.362 0.565 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000173131584 416053677 /nfs/dbraw/zinc/05/36/77/416053677.db2.gz XJGBPDWQLHZMSG-WDEREUQCSA-N 0 0 304.412 0.484 10 0 DCAERN CC(=O)N1CCN(C[C@@H](O)COC2CCOCC2)[C@@H](C)C1 ZINC000357296435 416058006 /nfs/dbraw/zinc/05/80/06/416058006.db2.gz BVYSFZDMLGKMOO-GXTWGEPZSA-N 0 0 300.399 0.096 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)[nH]1 ZINC000173545776 416059992 /nfs/dbraw/zinc/05/99/92/416059992.db2.gz WGLAGWOHJURSIG-GFCCVEGCSA-N 0 0 323.397 0.565 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173536881 416060633 /nfs/dbraw/zinc/06/06/33/416060633.db2.gz FRFVYJHMPUTVEH-LLVKDONJSA-N 0 0 323.397 0.565 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173735285 416064021 /nfs/dbraw/zinc/06/40/21/416064021.db2.gz OVVMXQKAUXYNQF-KOLCDFICSA-N 0 0 302.400 0.862 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000173827284 416065058 /nfs/dbraw/zinc/06/50/58/416065058.db2.gz JIEXDWWWGUOGLZ-KGLIPLIRSA-N 0 0 322.413 0.345 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173801561 416065986 /nfs/dbraw/zinc/06/59/86/416065986.db2.gz HUFSNSPJLYNSRS-GXTWGEPZSA-N 0 0 321.425 0.906 10 0 DCAERN CCOCCOCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173877905 416068603 /nfs/dbraw/zinc/06/86/03/416068603.db2.gz HKSVSBAAFXOQNP-KBPBESRZSA-N 0 0 300.399 0.219 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000173948992 416069158 /nfs/dbraw/zinc/06/91/58/416069158.db2.gz KIMFOQFUDDQIDV-CQSZACIVSA-N 0 0 307.398 0.426 10 0 DCAERN CCc1nnc2ccc(N3CC[C@H](N4CCOCC4)C3)nn21 ZINC000173976796 416070588 /nfs/dbraw/zinc/07/05/88/416070588.db2.gz JMJTWUHWBMLNBM-LBPRGKRZSA-N 0 0 302.382 0.598 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCN(Cc3ccon3)CC2)C[C@@H](C)O1 ZINC000173936806 416070633 /nfs/dbraw/zinc/07/06/33/416070633.db2.gz PDRGBQISMMPSOJ-ZIAGYGMSSA-N 0 0 322.409 0.428 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000357384243 416070982 /nfs/dbraw/zinc/07/09/82/416070982.db2.gz SWZMJXMPFQSBIB-MCIONIFRSA-N 0 0 322.361 0.470 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338280529 416071100 /nfs/dbraw/zinc/07/11/00/416071100.db2.gz HHMLHAWGQTVQBU-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000357390251 416072299 /nfs/dbraw/zinc/07/22/99/416072299.db2.gz JFXJRPOAIFDVCN-GHMZBOCLSA-N 0 0 320.315 0.860 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000174010052 416072668 /nfs/dbraw/zinc/07/26/68/416072668.db2.gz AECZVFBDSQOSBA-HNNXBMFYSA-N 0 0 317.389 0.867 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@]1(C)CCCO1 ZINC000300177018 416072912 /nfs/dbraw/zinc/07/29/12/416072912.db2.gz WQUIISQKJUHXFI-WZRBSPASSA-N 0 0 305.396 0.817 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H]3CCCCNC3=O)sc2n1 ZINC000301057222 416074752 /nfs/dbraw/zinc/07/47/52/416074752.db2.gz AHBXNEUXOYJOKS-VIFPVBQESA-N 0 0 307.379 0.794 10 0 DCAERN CC(=O)N1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)C(C)(C)C1 ZINC000338306442 416075193 /nfs/dbraw/zinc/07/51/93/416075193.db2.gz UYJLIPKKWFZCRB-CYBMUJFWSA-N 0 0 317.455 0.211 10 0 DCAERN CCc1cc(=O)n2nc(N3CCC[C@@H](OCCO)C3)sc2n1 ZINC000301273898 416080484 /nfs/dbraw/zinc/08/04/84/416080484.db2.gz IEAVBNAKOAOWHX-LLVKDONJSA-N 0 0 324.406 0.691 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H]1COc2ccccc21 ZINC000174379916 416077769 /nfs/dbraw/zinc/07/77/69/416077769.db2.gz ZLTHGJNQDHFDCN-LBPRGKRZSA-N 0 0 312.391 0.908 10 0 DCAERN COc1cncc(N2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000301290226 416080589 /nfs/dbraw/zinc/08/05/89/416080589.db2.gz NEJQNIACMXBNMK-UHFFFAOYSA-N 0 0 312.337 0.478 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880791 416002481 /nfs/dbraw/zinc/00/24/81/416002481.db2.gz UVQOELIPDBJPAA-UWVGGRQHSA-N 0 0 311.407 0.652 10 0 DCAERN CCOc1ccccc1N1CCN(C(=O)CC(=O)NC)CC1 ZINC000163665126 416015132 /nfs/dbraw/zinc/01/51/32/416015132.db2.gz RSKADXCDFLUWST-UHFFFAOYSA-N 0 0 305.378 0.870 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000170683883 416029599 /nfs/dbraw/zinc/02/95/99/416029599.db2.gz JCIBXIHZKIXNHI-HIFRSBDPSA-N 0 0 303.362 0.626 10 0 DCAERN C[C@@H](CNC(=O)NCCc1ccccc1O)N1CCOCC1 ZINC000170804590 416031418 /nfs/dbraw/zinc/03/14/18/416031418.db2.gz PKJVCJMVGCWALU-ZDUSSCGKSA-N 0 0 307.394 0.955 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)CC(=O)N(C)C)CC2)cn1 ZINC000174654794 416083022 /nfs/dbraw/zinc/08/30/22/416083022.db2.gz ZBMXFMABCUFFMS-UHFFFAOYSA-N 0 0 321.425 0.416 10 0 DCAERN C[C@H]1COC2(CCN(c3nnc(Cl)cc3C(N)=O)CC2)O1 ZINC000301464844 416083205 /nfs/dbraw/zinc/08/32/05/416083205.db2.gz GXUZNIKGLBYKPJ-QMMMGPOBSA-N 0 0 312.757 0.961 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)C1CCCCC1 ZINC000175260175 416101409 /nfs/dbraw/zinc/10/14/09/416101409.db2.gz BSXOCMSUUQSEOR-LBPRGKRZSA-N 0 0 306.428 0.325 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000302885591 416101907 /nfs/dbraw/zinc/10/19/07/416101907.db2.gz MMSBVGSLDASJJH-JTQLQIEISA-N 0 0 317.397 0.687 10 0 DCAERN CNC(=O)c1ccc(CNc2nc3c(cnn3C)c(N)n2)cc1 ZINC000302829341 416102079 /nfs/dbraw/zinc/10/20/79/416102079.db2.gz JQAHZYMBDDSRHG-UHFFFAOYSA-N 0 0 311.349 0.917 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H](O)Cc2ccccc2Cl)C1 ZINC000357600762 416103473 /nfs/dbraw/zinc/10/34/73/416103473.db2.gz PJZIWOUODFODHY-JQWIXIFHSA-N 0 0 311.769 0.513 10 0 DCAERN Cc1nc(NCCCc2ccccn2)sc1S(N)(=O)=O ZINC000338489213 416104915 /nfs/dbraw/zinc/10/49/15/416104915.db2.gz LHTUPOMMCCCGCY-UHFFFAOYSA-N 0 0 312.420 1.539 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](C)C1 ZINC000357936344 416156083 /nfs/dbraw/zinc/15/60/83/416156083.db2.gz MUMYKLMCNDZYJF-LLVKDONJSA-N 0 0 318.377 0.548 10 0 DCAERN CC(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000357633732 416110077 /nfs/dbraw/zinc/11/00/77/416110077.db2.gz MAVIPVYPRXZHOO-GFCCVEGCSA-N 0 0 324.425 0.698 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H](C)C1 ZINC000357635311 416110280 /nfs/dbraw/zinc/11/02/80/416110280.db2.gz DTNURZPIIZEPFZ-NSHDSACASA-N 0 0 312.414 0.411 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000175599131 416111274 /nfs/dbraw/zinc/11/12/74/416111274.db2.gz MFJOBKPXKYBUGM-NSHDSACASA-N 0 0 303.362 0.460 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCO[C@]3(CCCOC3)C1)CC2 ZINC000329206885 416156377 /nfs/dbraw/zinc/15/63/77/416156377.db2.gz ZTNSBJGOMYVIBH-CXAGYDPISA-N 0 0 319.405 0.933 10 0 DCAERN CC(CO)(CO)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357731681 416122318 /nfs/dbraw/zinc/12/23/18/416122318.db2.gz KJUBUUCOZLWKOC-UHFFFAOYSA-N 0 0 303.318 0.322 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@H](C)C1 ZINC000357727695 416123042 /nfs/dbraw/zinc/12/30/42/416123042.db2.gz BXFSRFLPPQDUCX-LLVKDONJSA-N 0 0 312.414 0.553 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1O ZINC000328606236 416123124 /nfs/dbraw/zinc/12/31/24/416123124.db2.gz QUHAEIZQJZJCMJ-KBUPBQIOSA-N 0 0 318.373 0.378 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H](CO)c2ccccc2)CCC1=O ZINC000176284539 416124523 /nfs/dbraw/zinc/12/45/23/416124523.db2.gz AQXLETBQTQPOLB-UONOGXRCSA-N 0 0 305.378 0.683 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)C1CCCC1 ZINC000176608218 416130268 /nfs/dbraw/zinc/13/02/68/416130268.db2.gz OIPTUPCXNKPKOX-NSHDSACASA-N 0 0 306.428 0.637 10 0 DCAERN COc1cc2nc(NC[C@H](CO)C3CC3)nc(N)c2cc1OC ZINC000357786354 416131861 /nfs/dbraw/zinc/13/18/61/416131861.db2.gz UHNXYTRENCJWBJ-SNVBAGLBSA-N 0 0 318.377 1.082 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000357941099 416157236 /nfs/dbraw/zinc/15/72/36/416157236.db2.gz SKLWKUFUCFTNQT-NSHDSACASA-N 0 0 319.361 0.244 10 0 DCAERN O=C(NCc1cccc(CO)c1)NC[C@]1(CCO)CCOC1 ZINC000177622196 416147890 /nfs/dbraw/zinc/14/78/90/416147890.db2.gz YRJXBFITRZEPHE-INIZCTEOSA-N 0 0 308.378 0.767 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@@H](C(=O)OC)C2)cs1 ZINC000177594205 416148652 /nfs/dbraw/zinc/14/86/52/416148652.db2.gz QOBNLWCFVPSFDO-SNVBAGLBSA-N 0 0 311.407 0.817 10 0 DCAERN O=C([C@H]1CCCCO1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000329093535 416150027 /nfs/dbraw/zinc/15/00/27/416150027.db2.gz KFCPZYUGQTVQIU-CHWSQXEVSA-N 0 0 315.377 1.311 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(C(C)=O)C[C@H]2C)n1 ZINC000357899878 416150265 /nfs/dbraw/zinc/15/02/65/416150265.db2.gz ACBUYBMQHRWAKH-SNVBAGLBSA-N 0 0 305.334 0.561 10 0 DCAERN CC(C)N1CCC[C@H](N2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000177734297 416151133 /nfs/dbraw/zinc/15/11/33/416151133.db2.gz QKEWIXCHTCEFFI-RYUDHWBXSA-N 0 0 303.428 0.009 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)[C@@H](C)C1 ZINC000357920738 416153380 /nfs/dbraw/zinc/15/33/80/416153380.db2.gz DJTQXNUKHWKFGW-NSHDSACASA-N 0 0 323.418 0.947 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)no1 ZINC000177814350 416153411 /nfs/dbraw/zinc/15/34/11/416153411.db2.gz YWPSDGJXQOLNRM-LLVKDONJSA-N 0 0 303.322 0.809 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000178119599 416157449 /nfs/dbraw/zinc/15/74/49/416157449.db2.gz LXRDYJZRUUOGEA-UHFFFAOYSA-N 0 0 318.333 0.857 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@H]3CCCOC3)CCO2)[nH]1 ZINC000177978669 416154297 /nfs/dbraw/zinc/15/42/97/416154297.db2.gz CJAHLKHYPHATGE-NEPJUHHUSA-N 0 0 323.397 0.877 10 0 DCAERN O=C1[C@@H](N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CCN1c1ccccc1 ZINC000329171748 416154358 /nfs/dbraw/zinc/15/43/58/416154358.db2.gz KSAXVFCGPGUBKH-AEGPPILISA-N 0 0 320.414 0.911 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC000177958724 416154911 /nfs/dbraw/zinc/15/49/11/416154911.db2.gz MCRJYNHGJIXBDK-QWHCGFSZSA-N 0 0 307.398 0.981 10 0 DCAERN O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@H]1CN2CCN1CC2 ZINC000178618271 416166348 /nfs/dbraw/zinc/16/63/48/416166348.db2.gz ZSPFCIVYNGKCJK-ICTCPBKTSA-N 0 0 313.401 0.751 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000357992431 416167797 /nfs/dbraw/zinc/16/77/97/416167797.db2.gz VJFLKJISSLRKFP-UHFFFAOYSA-N 0 0 312.289 0.373 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000178727542 416170105 /nfs/dbraw/zinc/17/01/05/416170105.db2.gz JQYNWQACHNOWSL-LBPRGKRZSA-N 0 0 302.338 0.163 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000358032119 416173069 /nfs/dbraw/zinc/17/30/69/416173069.db2.gz URXHBGRHODEAQU-CYBMUJFWSA-N 0 0 301.346 0.627 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000179244699 416184490 /nfs/dbraw/zinc/18/44/90/416184490.db2.gz DILJJASSELFEOM-NTZNESFSSA-N 0 0 306.366 0.430 10 0 DCAERN COC[C@H](C)N(C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000179315029 416185361 /nfs/dbraw/zinc/18/53/61/416185361.db2.gz COZTVCRNBURDDL-VIFPVBQESA-N 0 0 304.368 0.637 10 0 DCAERN CCn1c2ccccc2n(CC(=O)Nc2nc(OC)n[nH]2)c1=O ZINC000179376845 416186123 /nfs/dbraw/zinc/18/61/23/416186123.db2.gz QAIUUMQCWLERMB-UHFFFAOYSA-N 0 0 316.321 0.588 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)N[C@@H]1CCC(=O)NC1=O ZINC000179364613 416187299 /nfs/dbraw/zinc/18/72/99/416187299.db2.gz IIGWEVHYPZPDPB-MRVPVSSYSA-N 0 0 308.363 0.949 10 0 DCAERN CCN(C(=O)c1c[nH]c(CCOCCOC)n1)[C@H]1CCOC1 ZINC000358083926 416189727 /nfs/dbraw/zinc/18/97/27/416189727.db2.gz LECYIRLNGNPRAU-LBPRGKRZSA-N 0 0 311.382 0.866 10 0 DCAERN CC(=O)NC[C@@H]1CN(Cc2cnc3cc(C)ccn23)CCO1 ZINC000179711710 416191723 /nfs/dbraw/zinc/19/17/23/416191723.db2.gz LONMPJMLLZNTNT-OAHLLOKOSA-N 0 0 302.378 0.980 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(C)C ZINC000179706411 416192142 /nfs/dbraw/zinc/19/21/42/416192142.db2.gz MQLDTQNIVBSDAT-LBPRGKRZSA-N 0 0 301.350 0.972 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc2ccccc2c1 ZINC000180273330 416195619 /nfs/dbraw/zinc/19/56/19/416195619.db2.gz KYMBLXGXBVRVCJ-HNNXBMFYSA-N 0 0 314.341 0.931 10 0 DCAERN O=S(=O)([C@H]1CCN(Cc2csnn2)C1)N1CCCC1 ZINC000180747347 416200129 /nfs/dbraw/zinc/20/01/29/416200129.db2.gz CFTGEJJFWYZSAC-NSHDSACASA-N 0 0 302.425 0.538 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2cc(=O)n3ccccc3n2)C1 ZINC000181283934 416203986 /nfs/dbraw/zinc/20/39/86/416203986.db2.gz YKJSGYUWKAFMGE-LLVKDONJSA-N 0 0 322.390 0.213 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@H](C)CCS(C)(=O)=O)CC1 ZINC000358169463 416205806 /nfs/dbraw/zinc/20/58/06/416205806.db2.gz PQSQYCFBEJSIOR-CYBMUJFWSA-N 0 0 317.455 0.761 10 0 DCAERN Cc1nc(CC(=O)N2CCNC[C@H]2c2cnn(C)c2)cs1 ZINC000181347285 416206442 /nfs/dbraw/zinc/20/64/42/416206442.db2.gz RUORYDKJCFVLCW-ZDUSSCGKSA-N 0 0 305.407 0.901 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CCOC[C@H]2CCCO2)cn1 ZINC000181376271 416206738 /nfs/dbraw/zinc/20/67/38/416206738.db2.gz FGBHBGFVXOYFLS-CABCVRRESA-N 0 0 322.409 0.479 10 0 DCAERN Cc1ccc(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)nc1 ZINC000181566031 416209450 /nfs/dbraw/zinc/20/94/50/416209450.db2.gz NPWBKGPZGSHZMZ-LBPRGKRZSA-N 0 0 303.362 0.896 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000358201252 416210147 /nfs/dbraw/zinc/21/01/47/416210147.db2.gz UQOJOKBFJKNYHN-UHFFFAOYSA-N 0 0 307.398 0.900 10 0 DCAERN COC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCC1 ZINC000181975520 416213042 /nfs/dbraw/zinc/21/30/42/416213042.db2.gz BXNOFBOZNLSVFY-UHFFFAOYSA-N 0 0 317.345 0.375 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H](Oc2cccnc2)C1)NCC1CC1 ZINC000182018673 416213854 /nfs/dbraw/zinc/21/38/54/416213854.db2.gz OWZMVGQQUSAUME-CQSZACIVSA-N 0 0 318.377 0.771 10 0 DCAERN COc1n[nH]c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000183008199 416234591 /nfs/dbraw/zinc/23/45/91/416234591.db2.gz GACJUXLLQWITCT-UHFFFAOYSA-N 0 0 312.289 0.820 10 0 DCAERN Cc1cc(NC(=O)CN(C)S(=O)(=O)CC(F)(F)F)no1 ZINC000330723027 416234717 /nfs/dbraw/zinc/23/47/17/416234717.db2.gz GCCRSHVCPBUWHU-UHFFFAOYSA-N 0 0 315.273 0.745 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433373 416222935 /nfs/dbraw/zinc/22/29/35/416222935.db2.gz YGSHXSFQNYQTCU-CYBMUJFWSA-N 0 0 303.366 0.293 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCCOCCO)cc1F ZINC000182440562 416223502 /nfs/dbraw/zinc/22/35/02/416223502.db2.gz TUIWBCWSHSRIEB-UHFFFAOYSA-N 0 0 312.341 0.842 10 0 DCAERN Cc1cc(N2CCC[C@H](NCc3csnn3)C2=O)n(C)n1 ZINC000182483939 416223886 /nfs/dbraw/zinc/22/38/86/416223886.db2.gz CUEPKCNSLAEKDX-NSHDSACASA-N 0 0 306.395 0.865 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182541627 416226017 /nfs/dbraw/zinc/22/60/17/416226017.db2.gz HQERTVZOZYKESQ-YPMHNXCESA-N 0 0 306.366 0.647 10 0 DCAERN CC[C@@H](NC(=O)N1CCO[C@H](C(=O)NC)C1)c1nccs1 ZINC000182676307 416227515 /nfs/dbraw/zinc/22/75/15/416227515.db2.gz VNILVPKDWRBKJA-ZJUUUORDSA-N 0 0 312.395 0.751 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)C2CC2)C1 ZINC000358354177 416227696 /nfs/dbraw/zinc/22/76/96/416227696.db2.gz PAOCQRRRPCENBB-STQMWFEESA-N 0 0 318.439 0.183 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000182824848 416231830 /nfs/dbraw/zinc/23/18/30/416231830.db2.gz LKAJZBGFSLROQQ-INIZCTEOSA-N 0 0 318.377 0.849 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)n(C)n1 ZINC000178253265 416159438 /nfs/dbraw/zinc/15/94/38/416159438.db2.gz LNQFSBZOQQTVHH-TXEJJXNPSA-N 0 0 320.393 0.662 10 0 DCAERN Nc1nsc(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)n1 ZINC000329341118 416164163 /nfs/dbraw/zinc/16/41/63/416164163.db2.gz OTNDLZARAAIMPB-OPRDCNLKSA-N 0 0 309.395 0.194 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCc2nc(N(C)C)no2)[nH]n1 ZINC000358814559 416277828 /nfs/dbraw/zinc/27/78/28/416277828.db2.gz URPMDQDRORCWRE-QMMMGPOBSA-N 0 0 307.358 0.598 10 0 DCAERN CC(=O)N1CCN(CCNc2nc(C)nc3[nH]ccc32)CC1 ZINC000348726840 416244506 /nfs/dbraw/zinc/24/45/06/416244506.db2.gz CDHGWWSJJGLWLW-UHFFFAOYSA-N 0 0 302.382 0.842 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000183568564 416247424 /nfs/dbraw/zinc/24/74/24/416247424.db2.gz ARDRPILHFPGSGG-MNOVXSKESA-N 0 0 304.346 0.990 10 0 DCAERN COC(=O)CCCc1nc(Cn2cnc(C)c(C)c2=O)no1 ZINC000358519437 416249009 /nfs/dbraw/zinc/24/90/09/416249009.db2.gz ZDWMAGSYRBYQQB-UHFFFAOYSA-N 0 0 306.322 0.787 10 0 DCAERN CCN(C(=O)c1ccc2nnn(C)c2c1)[C@@H](C)CS(C)(=O)=O ZINC000183965001 416249969 /nfs/dbraw/zinc/24/99/69/416249969.db2.gz FGXSCEROJIRJQC-JTQLQIEISA-N 0 0 324.406 0.864 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000185781649 416253406 /nfs/dbraw/zinc/25/34/06/416253406.db2.gz RTOFUQIOINDVNO-VXGBXAGGSA-N 0 0 320.393 0.448 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188871502 416264694 /nfs/dbraw/zinc/26/46/94/416264694.db2.gz JKQKFMXZNVGPRW-NEPJUHHUSA-N 0 0 305.421 0.732 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000189649492 416267530 /nfs/dbraw/zinc/26/75/30/416267530.db2.gz JQWMEBGCHCJMLQ-LLVKDONJSA-N 0 0 318.377 0.947 10 0 DCAERN O=C1CCC(=O)N1CCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189656392 416267674 /nfs/dbraw/zinc/26/76/74/416267674.db2.gz MJBUABHTBTYRAI-UHFFFAOYSA-N 0 0 317.393 0.558 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1nc(-c2ccoc2)no1 ZINC000189565058 416268285 /nfs/dbraw/zinc/26/82/85/416268285.db2.gz DFXCGVRBHLTARK-JQWIXIFHSA-N 0 0 307.306 0.828 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CCC(C)(C)O2)nn1 ZINC000189624922 416268578 /nfs/dbraw/zinc/26/85/78/416268578.db2.gz ZUDNRAAWJYKQPI-JTQLQIEISA-N 0 0 309.370 0.054 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000331140213 416271886 /nfs/dbraw/zinc/27/18/86/416271886.db2.gz QXMREJLBTZTEMO-ONGXEEELSA-N 0 0 315.439 0.669 10 0 DCAERN COCCn1c(C)c(C)nc1S(=O)(=O)Cc1ncccn1 ZINC000358736590 416274737 /nfs/dbraw/zinc/27/47/37/416274737.db2.gz VNTLAGIURALVPC-UHFFFAOYSA-N 0 0 310.379 0.910 10 0 DCAERN CC(C)(CNC(=O)NCc1cc(C(N)=O)co1)N1CCOCC1 ZINC000189951681 416274750 /nfs/dbraw/zinc/27/47/50/416274750.db2.gz QFJPQJOSPFMTOV-UHFFFAOYSA-N 0 0 324.381 0.289 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCC(=O)NC2CC2)[C@@H](C)C1 ZINC000358807274 416276880 /nfs/dbraw/zinc/27/68/80/416276880.db2.gz PUPIGAQCXWASIW-NSHDSACASA-N 0 0 310.398 0.307 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nc[nH]n2)cc1 ZINC000183207149 416238815 /nfs/dbraw/zinc/23/88/15/416238815.db2.gz NFTAXKZCYCNCEH-QMMMGPOBSA-N 0 0 309.351 0.204 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cncc(F)c1 ZINC000359069436 416305179 /nfs/dbraw/zinc/30/51/79/416305179.db2.gz WXLRJVRCIABRFW-LDYMZIIASA-N 0 0 301.343 0.768 10 0 DCAERN C[C@H](O)CNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000192539754 416308638 /nfs/dbraw/zinc/30/86/38/416308638.db2.gz KFCWBMMIVZXCMN-QWRGUYRKSA-N 0 0 304.350 0.465 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193030698 416312893 /nfs/dbraw/zinc/31/28/93/416312893.db2.gz IKLSAGPFLDSKPV-NSHDSACASA-N 0 0 324.768 0.801 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000193169928 416313653 /nfs/dbraw/zinc/31/36/53/416313653.db2.gz IIIPUENXZJNYLQ-PWSUYJOCSA-N 0 0 324.402 0.746 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1nc(C)c(C)s1)C(C)C ZINC000193201696 416314316 /nfs/dbraw/zinc/31/43/16/416314316.db2.gz IXJUEOJIDQSGDU-SECBINFHSA-N 0 0 312.395 0.585 10 0 DCAERN O=C(Nc1nncs1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000193246516 416315055 /nfs/dbraw/zinc/31/50/55/416315055.db2.gz PHOPDELGBLHQAP-UHFFFAOYSA-N 0 0 318.362 0.923 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000193381036 416316098 /nfs/dbraw/zinc/31/60/98/416316098.db2.gz VESQDKRCPBQEHM-APHBMKBZSA-N 0 0 320.389 0.690 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000190738448 416281671 /nfs/dbraw/zinc/28/16/71/416281671.db2.gz NQKLZMQHWYEKDY-BDAKNGLRSA-N 0 0 324.406 0.756 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000191993325 416294795 /nfs/dbraw/zinc/29/47/95/416294795.db2.gz CFMIANCCADUNKN-CHWSQXEVSA-N 0 0 308.444 0.130 10 0 DCAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)C(N)=O ZINC000192088290 416298692 /nfs/dbraw/zinc/29/86/92/416298692.db2.gz XDBXFLKLKZKHMP-CABZTGNLSA-N 0 0 321.381 0.419 10 0 DCAERN COCCN1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000247704035 416333067 /nfs/dbraw/zinc/33/30/67/416333067.db2.gz RMKAUUBSPNJYRG-NEPJUHHUSA-N 0 0 323.359 0.802 10 0 DCAERN COCCN(C[C@@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248396340 416333312 /nfs/dbraw/zinc/33/33/12/416333312.db2.gz PUTZIIHMDSVYRH-DTWKUNHWSA-N 0 0 305.318 0.045 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cc(CN(C)C)on2)C1 ZINC000359330546 416341833 /nfs/dbraw/zinc/34/18/33/416341833.db2.gz NELBVMPSIJFQLP-JTQLQIEISA-N 0 0 309.370 0.270 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CC1 ZINC000359343346 416342124 /nfs/dbraw/zinc/34/21/24/416342124.db2.gz MQNKELOZAIHPHA-LLVKDONJSA-N 0 0 317.393 0.811 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000359436513 416345552 /nfs/dbraw/zinc/34/55/52/416345552.db2.gz XLXXOGDYEXZFLA-MWLCHTKSSA-N 0 0 304.306 0.323 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)NC[C@H](CO)C1CC1 ZINC000359778580 416357767 /nfs/dbraw/zinc/35/77/67/416357767.db2.gz PRUSGDJXSAVESB-OAHLLOKOSA-N 0 0 318.421 0.338 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)NCCCn2ccnn2)C[C@H](C)O1 ZINC000195074427 416325038 /nfs/dbraw/zinc/32/50/38/416325038.db2.gz METMYXDUWKKQRR-OKILXGFUSA-N 0 0 324.429 0.419 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C2CC2)CC1 ZINC000195325903 416326240 /nfs/dbraw/zinc/32/62/40/416326240.db2.gz BGFYVXLIRSVFRE-UHFFFAOYSA-N 0 0 323.418 0.563 10 0 DCAERN CC(C)(C)OC(=O)CN1NC[C@H](NC(=O)OC(C)(C)C)C1=O ZINC000238119017 416329727 /nfs/dbraw/zinc/32/97/27/416329727.db2.gz CIZUXSGYEKKMDC-VIFPVBQESA-N 0 0 315.370 0.568 10 0 DCAERN Cc1csc(NC(=O)CN2CCCS(=O)(=O)CC2)n1 ZINC000360128166 416373068 /nfs/dbraw/zinc/37/30/68/416373068.db2.gz FCTSEYNHGDMFIG-UHFFFAOYSA-N 0 0 303.409 0.511 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NC[C@@H](O)C(C)C)[C@H]2C1 ZINC000359829145 416361550 /nfs/dbraw/zinc/36/15/50/416361550.db2.gz QFNWOBLNVLOJNW-ZQDZILKHSA-N 0 0 311.426 0.950 10 0 DCAERN COCCn1cc(C(=O)N2CCC[C@@H](C(=O)OC)C2)c(C)n1 ZINC000360305145 416384794 /nfs/dbraw/zinc/38/47/94/416384794.db2.gz RXNYURJZZINCON-GFCCVEGCSA-N 0 0 309.366 0.863 10 0 DCAERN Cc1cccc(OCCCNC(=O)CN2CC(=O)N(C)C2)c1 ZINC000360489015 416392256 /nfs/dbraw/zinc/39/22/56/416392256.db2.gz LBZWDABKRNTZSW-UHFFFAOYSA-N 0 0 305.378 0.612 10 0 DCAERN Cc1ccc([C@H](NC(=O)CN2C[C@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000360502100 416393628 /nfs/dbraw/zinc/39/36/28/416393628.db2.gz BEXFXNWGXNHAKD-NUJGCVRESA-N 0 0 318.417 0.990 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC000360502198 416393929 /nfs/dbraw/zinc/39/39/29/416393929.db2.gz CCGHXHSEXGPXQM-KBPBESRZSA-N 0 0 315.377 0.787 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360574255 416396651 /nfs/dbraw/zinc/39/66/51/416396651.db2.gz KQPJURMPXDREQW-OAHLLOKOSA-N 0 0 306.362 0.771 10 0 DCAERN COc1c(NC(=O)C(=O)NC[C@@H]2C[C@H]2C)cccc1C(N)=O ZINC000360577096 416397281 /nfs/dbraw/zinc/39/72/81/416397281.db2.gz XIOWVZLJGKMMGW-BDAKNGLRSA-N 0 0 305.334 0.505 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000360574876 416397294 /nfs/dbraw/zinc/39/72/94/416397294.db2.gz RIYXFIXUYBGSRE-RYUDHWBXSA-N 0 0 310.398 0.307 10 0 DCAERN CN(Cc1nnnn1C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000533023530 416469323 /nfs/dbraw/zinc/46/93/23/416469323.db2.gz KSJMEJUZSOGUMJ-CQSZACIVSA-N 0 0 300.366 0.662 10 0 DCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)NCc1ccccc1OCCO ZINC000434400485 416475743 /nfs/dbraw/zinc/47/57/43/416475743.db2.gz VMJZNUKTALYAKC-MLGOLLRUSA-N 0 0 324.377 0.397 10 0 DCAERN C[C@H](CNC(=O)C(=O)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000533145474 416479496 /nfs/dbraw/zinc/47/94/96/416479496.db2.gz YMVXAMZROQHQGD-SNVBAGLBSA-N 0 0 309.387 0.907 10 0 DCAERN Cc1cnc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)nc1 ZINC000361085278 416420600 /nfs/dbraw/zinc/42/06/00/416420600.db2.gz DCIBGEFBHSRFSS-UHFFFAOYSA-N 0 0 308.363 0.245 10 0 DCAERN CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361120741 416422328 /nfs/dbraw/zinc/42/23/28/416422328.db2.gz SIJQCIWYVLDTOC-ZIAGYGMSSA-N 0 0 314.426 0.927 10 0 DCAERN C/C=C/C[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)OCC ZINC000361546374 416445617 /nfs/dbraw/zinc/44/56/17/416445617.db2.gz SLEHWQQLRAALNB-DUMNWFOQSA-N 0 0 305.396 0.825 10 0 DCAERN CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458244325 416447629 /nfs/dbraw/zinc/44/76/29/416447629.db2.gz CVXSAHLNXDWOIK-HUUCEWRRSA-N 0 0 317.393 0.960 10 0 DCAERN CN(Cc1nnnn1C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000532645604 416447924 /nfs/dbraw/zinc/44/79/24/416447924.db2.gz YNDMMDRPSUOFSX-CQSZACIVSA-N 0 0 318.356 0.801 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n1 ZINC000361953093 416533046 /nfs/dbraw/zinc/53/30/46/416533046.db2.gz RQRZOEPVEZLACY-SECBINFHSA-N 0 0 315.420 0.716 10 0 DCAERN Cc1ccc(NC(=O)NC[C@H](O)Cn2ccnn2)c2n[nH]cc21 ZINC000459403740 416538915 /nfs/dbraw/zinc/53/89/15/416538915.db2.gz GRKSXRRNLSMBDP-JTQLQIEISA-N 0 0 315.337 0.645 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@H]1OC ZINC000362097597 416562358 /nfs/dbraw/zinc/56/23/58/416562358.db2.gz OKZRSXTXOFPWCL-UYXSQOIJSA-N 0 0 300.277 0.401 10 0 DCAERN O=C(c1ccc2n[nH]c(=O)n2c1)N1CCSC[C@@H]1CCO ZINC000536648501 416548969 /nfs/dbraw/zinc/54/89/69/416548969.db2.gz USOIJFWHHWOSTQ-JTQLQIEISA-N 0 0 308.363 0.375 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000434744473 416493446 /nfs/dbraw/zinc/49/34/46/416493446.db2.gz HELGYRJRKPYLNM-STQMWFEESA-N 0 0 316.423 0.438 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000534264966 416495883 /nfs/dbraw/zinc/49/58/83/416495883.db2.gz ACQYSZOYFLEYOQ-VXGBXAGGSA-N 0 0 316.361 0.309 10 0 DCAERN CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434778041 416496092 /nfs/dbraw/zinc/49/60/92/416496092.db2.gz UFFCOODJYQHESF-UHFFFAOYSA-N 0 0 322.365 0.649 10 0 DCAERN CN(CC(=O)N1CCOCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434835907 416497825 /nfs/dbraw/zinc/49/78/25/416497825.db2.gz IDHQWAGLDOSTOM-UHFFFAOYSA-N 0 0 304.350 0.960 10 0 DCAERN C[C@H](CO)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434944925 416505062 /nfs/dbraw/zinc/50/50/62/416505062.db2.gz ZSXXRHQWEZLSJM-BDAKNGLRSA-N 0 0 311.407 0.951 10 0 DCAERN COCCN1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1=O ZINC000434985369 416506192 /nfs/dbraw/zinc/50/61/92/416506192.db2.gz AJKDRVYVQFDLRX-UHFFFAOYSA-N 0 0 304.350 0.960 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000435176073 416510996 /nfs/dbraw/zinc/51/09/96/416510996.db2.gz FCNGZJGVELYROP-ONGXEEELSA-N 0 0 309.370 0.698 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)CCCN1C(=O)CNC1=O ZINC000435140370 416511638 /nfs/dbraw/zinc/51/16/38/416511638.db2.gz IGXSMOUKCWRXRU-UHFFFAOYSA-N 0 0 307.354 0.814 10 0 DCAERN CCOC(=O)COCCNC(=O)N1CC(C)(CCOC)C1 ZINC000458963073 416515156 /nfs/dbraw/zinc/51/51/56/416515156.db2.gz JXLVQZXVRWDORT-UHFFFAOYSA-N 0 0 302.371 0.634 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000435263480 416515249 /nfs/dbraw/zinc/51/52/49/416515249.db2.gz PXKHOLXQMJOOMJ-SJCJKPOMSA-N 0 0 317.389 0.790 10 0 DCAERN CN(Cc1nc[nH]n1)C(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000435283874 416516771 /nfs/dbraw/zinc/51/67/71/416516771.db2.gz BUPWYVNRKOBPMB-UHFFFAOYSA-N 0 0 315.333 0.727 10 0 DCAERN COC(=O)c1nc2nc(C)cc(N(C)Cc3cnccn3)n2n1 ZINC000538087891 416563866 /nfs/dbraw/zinc/56/38/66/416563866.db2.gz MXUUXMYOUULRPU-UHFFFAOYSA-N 0 0 313.321 0.646 10 0 DCAERN O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cn2cccnc2n1 ZINC000540872807 416594516 /nfs/dbraw/zinc/59/45/16/416594516.db2.gz DACNDHVPPPFKLN-LBPRGKRZSA-N 0 0 312.329 0.768 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2nnc(C)s2)C1 ZINC000540936101 416597978 /nfs/dbraw/zinc/59/79/78/416597978.db2.gz MESIQWTWZZPBPK-VIFPVBQESA-N 0 0 312.399 0.450 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1 ZINC000365711891 416609278 /nfs/dbraw/zinc/60/92/78/416609278.db2.gz MXAASRBHLXBCDG-NWDGAFQWSA-N 0 0 313.427 0.961 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1O ZINC000436719038 416567127 /nfs/dbraw/zinc/56/71/27/416567127.db2.gz YPHAXKIJIORQRG-NXEZZACHSA-N 0 0 308.334 0.578 10 0 DCAERN O=C1NC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]12 ZINC000538712058 416574042 /nfs/dbraw/zinc/57/40/42/416574042.db2.gz HLMVINWOAHCPTH-NSHDSACASA-N 0 0 303.318 0.194 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000547345324 416678601 /nfs/dbraw/zinc/67/86/01/416678601.db2.gz MKWSMARAFAUVQW-WDEREUQCSA-N 0 0 311.386 1.037 10 0 DCAERN CCN1C(=O)CCc2cc(Nc3nccn4nnnc34)ccc21 ZINC000546757491 416678726 /nfs/dbraw/zinc/67/87/26/416678726.db2.gz BOYBOXZUGYXSJL-UHFFFAOYSA-N 0 0 309.333 1.562 10 0 DCAERN Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000368658553 416679644 /nfs/dbraw/zinc/67/96/44/416679644.db2.gz LYIIDROLBXVVIS-INIZCTEOSA-N 0 0 312.329 0.900 10 0 DCAERN Cn1ccnc(NC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1=O ZINC000547761207 416681047 /nfs/dbraw/zinc/68/10/47/416681047.db2.gz SIJYSIUZFABVBB-VIFPVBQESA-N 0 0 304.310 0.999 10 0 DCAERN NC(=O)c1cccc(C(=O)NCCCc2nnc3ccccn32)n1 ZINC000541962002 416620783 /nfs/dbraw/zinc/62/07/83/416620783.db2.gz SUTIBCFWFFGVPE-UHFFFAOYSA-N 0 0 324.344 0.586 10 0 DCAERN C[C@H](CCCO)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440064092 416624900 /nfs/dbraw/zinc/62/49/00/416624900.db2.gz RQYCPECOSXGYQZ-LLVKDONJSA-N 0 0 319.361 0.639 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cn1 ZINC000440570689 416640082 /nfs/dbraw/zinc/64/00/82/416640082.db2.gz JMIJNNWKNJKTJQ-JTQLQIEISA-N 0 0 320.349 0.108 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C(=O)c1cccc2ncnn21)C1CC1 ZINC000543848227 416649421 /nfs/dbraw/zinc/64/94/21/416649421.db2.gz JCJKXMVHHGOLJJ-SNVBAGLBSA-N 0 0 322.390 0.767 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOCC[C@@H]1C ZINC000367752350 416652809 /nfs/dbraw/zinc/65/28/09/416652809.db2.gz FRBNFQUODBEMAO-RYUDHWBXSA-N 0 0 320.411 0.370 10 0 DCAERN CN(CCCO)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000440937201 416653900 /nfs/dbraw/zinc/65/39/00/416653900.db2.gz FDFMDTLIBSLUQM-UHFFFAOYSA-N 0 0 307.379 0.457 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)cn1 ZINC000514587111 416664049 /nfs/dbraw/zinc/66/40/49/416664049.db2.gz YUFNFLGDOYTUGG-UONOGXRCSA-N 0 0 321.377 0.786 10 0 DCAERN O=C(Nc1cccc2c1OCO2)N[C@H]1CCCN(CCO)C1=O ZINC000545330083 416674714 /nfs/dbraw/zinc/67/47/14/416674714.db2.gz ZQIGBEDXEDHEPY-NSHDSACASA-N 0 0 321.333 0.520 10 0 DCAERN Cc1nccc(N2CCN(C(=O)NCc3cc[nH]n3)CC2)n1 ZINC000545413568 416675741 /nfs/dbraw/zinc/67/57/41/416675741.db2.gz XCQWBKKQTFLIKP-UHFFFAOYSA-N 0 0 301.354 0.540 10 0 DCAERN CCOC1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1 ZINC000516806805 416745371 /nfs/dbraw/zinc/74/53/71/416745371.db2.gz RBLQCADGEPJIMA-UHFFFAOYSA-N 0 0 323.393 0.831 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCNC(=O)C(C)C)no1 ZINC000442166954 416688408 /nfs/dbraw/zinc/68/84/08/416688408.db2.gz ZOQSDCXPYGZONM-UHFFFAOYSA-N 0 0 311.386 0.939 10 0 DCAERN COC[C@@](C)(O)CNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000515027878 416689008 /nfs/dbraw/zinc/68/90/08/416689008.db2.gz FSIXRJFCBJJDKI-LRDDRELGSA-N 0 0 324.377 0.913 10 0 DCAERN CN(C[C@@H]1CNC(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751356 416689586 /nfs/dbraw/zinc/68/95/86/416689586.db2.gz SJTPXKDYSFUSPJ-DOTOQJQBSA-N 0 0 319.405 0.664 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000548716694 416691776 /nfs/dbraw/zinc/69/17/76/416691776.db2.gz WEFLMAAEWZFKCF-UHFFFAOYSA-N 0 0 306.366 1.255 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)c2cnn(C)c2N)(C(=O)OC)C1(C)C ZINC000614902818 416723139 /nfs/dbraw/zinc/72/31/39/416723139.db2.gz AHDWHYRPZNIZEC-ZUZCIYMTSA-N 0 0 324.381 0.479 10 0 DCAERN COc1ccc(C(=O)N(C)CCCO)cc1N1CCNC1=O ZINC000443004213 416724838 /nfs/dbraw/zinc/72/48/38/416724838.db2.gz WLALLDNFQDQVCA-UHFFFAOYSA-N 0 0 307.350 0.679 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557376554 416733022 /nfs/dbraw/zinc/73/30/22/416733022.db2.gz GMSUGQJVUGSWSM-ZYHUDNBSSA-N 0 0 304.350 0.796 10 0 DCAERN CCC(CC)[C@H](C(=O)N1CC(n2ccnn2)C1)N1CCOCC1 ZINC000369383098 416765679 /nfs/dbraw/zinc/76/56/79/416765679.db2.gz HUSIFJUDCFIZPF-OAHLLOKOSA-N 0 0 321.425 0.798 10 0 DCAERN COC(=O)CN(C(=O)COc1cnn(C)c1)c1cccc(C)n1 ZINC000443532857 416765959 /nfs/dbraw/zinc/76/59/59/416765959.db2.gz OPEWJLWQEHXWMH-UHFFFAOYSA-N 0 0 318.333 0.709 10 0 DCAERN Cn1cc(OCC(=O)N2CC(=O)N(C)c3ccccc32)cn1 ZINC000558578564 416778244 /nfs/dbraw/zinc/77/82/44/416778244.db2.gz AEUOGVWHJPOEQY-UHFFFAOYSA-N 0 0 300.318 0.809 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000558719061 416790326 /nfs/dbraw/zinc/79/03/26/416790326.db2.gz SPJNLTKIBUCQRL-CJNGLKHVSA-N 0 0 308.378 0.451 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](OC)C2)cc1 ZINC000615296685 416806119 /nfs/dbraw/zinc/80/61/19/416806119.db2.gz FGVMEECNTHMQLE-GFCCVEGCSA-N 0 0 315.347 0.467 10 0 DCAERN COC1(CO)CCN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000445222957 416890473 /nfs/dbraw/zinc/89/04/73/416890473.db2.gz LJZVHSQIUJWSSS-LLVKDONJSA-N 0 0 310.398 0.832 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@H](F)C[C@@H]3CO)cc12 ZINC000444274534 416825525 /nfs/dbraw/zinc/82/55/25/416825525.db2.gz CDYSFDDSQJULQR-RKDXNWHRSA-N 0 0 315.326 0.625 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000623558817 416842108 /nfs/dbraw/zinc/84/21/08/416842108.db2.gz JSXAJPJGUHVBDG-AUTRQRHGSA-N 0 0 309.370 0.074 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000445936634 416906006 /nfs/dbraw/zinc/90/60/06/416906006.db2.gz GXAKFSYHZQGEEX-UHFFFAOYSA-N 0 0 323.374 0.964 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000623845958 416908673 /nfs/dbraw/zinc/90/86/73/416908673.db2.gz CEXYDYDUZGTFPV-FDYHWXHSSA-N 0 0 313.398 0.474 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@H]3COCCN3C2=O)c1 ZINC000445978091 416908686 /nfs/dbraw/zinc/90/86/86/416908686.db2.gz RJGFPIOYYVEEKJ-CYBMUJFWSA-N 0 0 303.318 0.837 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000446552139 416933576 /nfs/dbraw/zinc/93/35/76/416933576.db2.gz WAEDJEOIRXLTKB-GFCCVEGCSA-N 0 0 318.377 0.846 10 0 DCAERN CC(C)Cn1nccc1NC(=O)C(=O)N1CC[C@@H](CCO)C1 ZINC000446806924 416948435 /nfs/dbraw/zinc/94/84/35/416948435.db2.gz UMUISXHEYNZKDL-LBPRGKRZSA-N 0 0 308.382 0.709 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@](C)(O)C1CCCCC1 ZINC000447771967 417028444 /nfs/dbraw/zinc/02/84/44/417028444.db2.gz GLGBONHPADRNHQ-RISCZKNCSA-N 0 0 320.455 0.714 10 0 DCAERN NC(=O)C1(O)CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000389751628 417101360 /nfs/dbraw/zinc/10/13/60/417101360.db2.gz VNUDGPYBILETML-UHFFFAOYSA-N 0 0 306.337 0.696 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616593086 417084561 /nfs/dbraw/zinc/08/45/61/417084561.db2.gz HVZRDSAHWFWQTP-AWEZNQCLSA-N 0 0 307.375 0.854 10 0 DCAERN Nc1n[nH]cc1[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616593185 417085217 /nfs/dbraw/zinc/08/52/17/417085217.db2.gz IDKORUROVODLCX-LLVKDONJSA-N 0 0 322.390 0.797 10 0 DCAERN Cc1nc(NC[C@@H](C)S(N)(=O)=O)ccc1Br ZINC000381450494 417087139 /nfs/dbraw/zinc/08/71/39/417087139.db2.gz GUHUWJUTYOLTTG-ZCFIWIBFSA-N 0 0 308.201 1.241 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)c2coc(Br)c2)C1=O ZINC000385991798 417089347 /nfs/dbraw/zinc/08/93/47/417089347.db2.gz PWNOKEINNAHBQS-ZETCQYMHSA-N 0 0 315.123 0.919 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CN(S(C)(=O)=O)CCCO1 ZINC000616654584 417090941 /nfs/dbraw/zinc/09/09/41/417090941.db2.gz ISCJBZKOPIRTQP-SNVBAGLBSA-N 0 0 308.400 0.861 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616658562 417091036 /nfs/dbraw/zinc/09/10/36/417091036.db2.gz ARIIMEDSUYYHKI-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1ncccc1[C@@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616689322 417092463 /nfs/dbraw/zinc/09/24/63/417092463.db2.gz BIMZJPLJDKAVBS-ZDUSSCGKSA-N 0 0 304.375 0.815 10 0 DCAERN CNc1ccc(C(=O)NCc2nn(C)cc2Br)cn1 ZINC000393653609 417105051 /nfs/dbraw/zinc/10/50/51/417105051.db2.gz ROZQOFWDDCSGBG-UHFFFAOYSA-N 0 0 324.182 1.549 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1 ZINC000404134921 417118349 /nfs/dbraw/zinc/11/83/49/417118349.db2.gz FODOLBQOXSWMKJ-CQSZACIVSA-N 0 0 313.375 0.709 10 0 DCAERN Cn1nnc(CNC(=O)c2nscc2Br)n1 ZINC000404836485 417121496 /nfs/dbraw/zinc/12/14/96/417121496.db2.gz ZZSFZJXQXDFSPJ-UHFFFAOYSA-N 0 0 303.145 0.359 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)Cc3cncs3)CC2)[nH]1 ZINC000568350368 417125496 /nfs/dbraw/zinc/12/54/96/417125496.db2.gz KBADAWWEVNXWJJ-UHFFFAOYSA-N 0 0 306.395 0.457 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023848 417132315 /nfs/dbraw/zinc/13/23/15/417132315.db2.gz WGSWNSUVWKYEMM-BPLDGKMQSA-N 0 0 319.409 0.382 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCN(C)C[C@H]3C)cnc12 ZINC000408099586 417139150 /nfs/dbraw/zinc/13/91/50/417139150.db2.gz XCPIBCZUIJQNAK-GFCCVEGCSA-N 0 0 300.362 0.779 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000408118267 417143226 /nfs/dbraw/zinc/14/32/26/417143226.db2.gz PJKPKFMJSRXPOM-KGLIPLIRSA-N 0 0 311.426 0.424 10 0 DCAERN COC[C@@](C)(O)CNC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000525777225 417149832 /nfs/dbraw/zinc/14/98/32/417149832.db2.gz ROEVNNBVOGLGPQ-INIZCTEOSA-N 0 0 317.345 0.976 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC[C@H]1C ZINC000408256039 417152095 /nfs/dbraw/zinc/15/20/95/417152095.db2.gz JZHVHIPLXOWNNQ-GRYCIOLGSA-N 0 0 304.412 0.630 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@](C)(O)C(C)C)C1 ZINC000408303738 417154731 /nfs/dbraw/zinc/15/47/31/417154731.db2.gz SEALMQTZLDQBEF-AAEUAGOBSA-N 0 0 306.428 0.322 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408388833 417157539 /nfs/dbraw/zinc/15/75/39/417157539.db2.gz XSXWVUQXYFETNH-NEPJUHHUSA-N 0 0 323.393 0.734 10 0 DCAERN Cn1cnc(S(=O)(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000632671585 417220366 /nfs/dbraw/zinc/22/03/66/417220366.db2.gz PNHIKBGIJLDXFZ-JGVFFNPUSA-N 0 0 313.301 0.211 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C2CC2)O1 ZINC000525944191 417164360 /nfs/dbraw/zinc/16/43/60/417164360.db2.gz DJSMRINRXNLFHP-IFIJOSMWSA-N 0 0 320.389 0.625 10 0 DCAERN COc1cc(NC(=O)c2ccc(S(N)(=O)=O)o2)ccc1O ZINC000438093917 287366976 /nfs/dbraw/zinc/36/69/76/287366976.db2.gz FDXRAWRTCPMLKX-UHFFFAOYSA-N 0 0 312.303 0.894 10 0 DCAERN COCCOc1ccc(S(=O)(=O)NC2(CO)CC2)cc1 ZINC000164237502 545873907 /nfs/dbraw/zinc/87/39/07/545873907.db2.gz QNYMMGLDALBNFT-UHFFFAOYSA-N 0 0 301.364 0.515 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382026 417284976 /nfs/dbraw/zinc/28/49/76/417284976.db2.gz GYSYNJULRVWFML-INIZCTEOSA-N 0 0 323.368 0.387 10 0 DCAERN c1cc(NCC2(N3CCOCC3)CC2)nc(N2CCOCC2)n1 ZINC000433812289 417289410 /nfs/dbraw/zinc/28/94/10/417289410.db2.gz ALIYDDZGMQLWKO-UHFFFAOYSA-N 0 0 319.409 0.590 10 0 DCAERN CC1(C)CN(C(=O)c2ccc3nnnn3c2)C[C@@]2(CCOC2)O1 ZINC000527275692 417231953 /nfs/dbraw/zinc/23/19/53/417231953.db2.gz ILJQAGHLKMMCFB-OAHLLOKOSA-N 0 0 317.349 0.534 10 0 DCAERN c1cnn(Cc2noc(-c3cn(C[C@H]4CCOC4)nn3)n2)c1 ZINC000528098009 417304675 /nfs/dbraw/zinc/30/46/75/417304675.db2.gz HQCKLBRDQAORGL-SNVBAGLBSA-N 0 0 301.310 0.609 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NS(=O)(=O)CC3CC3)[C@@H]2C1 ZINC000570239792 417330661 /nfs/dbraw/zinc/33/06/61/417330661.db2.gz GPOZBOBILZUJON-BFHYXJOUSA-N 0 0 300.424 0.963 10 0 DCAERN O=S(=O)(CCC1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000451391755 417342395 /nfs/dbraw/zinc/34/23/95/417342395.db2.gz FILOVJBHANUOBR-AWEZNQCLSA-N 0 0 302.440 0.913 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000452628498 417492827 /nfs/dbraw/zinc/49/28/27/417492827.db2.gz FHOHIUDQFAMYPT-BPLDGKMQSA-N 0 0 320.389 0.973 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccncc2C)CC12COC2 ZINC000452614031 417492983 /nfs/dbraw/zinc/49/29/83/417492983.db2.gz OVCRTNMPDMAIEU-AWEZNQCLSA-N 0 0 318.373 0.971 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H](F)C1 ZINC000627573661 417461075 /nfs/dbraw/zinc/46/10/75/417461075.db2.gz IDIWUOIFBVPMBQ-JTQLQIEISA-N 0 0 301.362 0.366 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cncc(O)c2)CC12COC2 ZINC000452264967 417462246 /nfs/dbraw/zinc/46/22/46/417462246.db2.gz PIKQYRQBUXXAHJ-GFCCVEGCSA-N 0 0 306.318 0.439 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)COC2CCCC2)CC12COC2 ZINC000452253148 417462662 /nfs/dbraw/zinc/46/26/62/417462662.db2.gz DVJJWAGZVMOYGH-CYBMUJFWSA-N 0 0 311.378 0.984 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000633647135 417469924 /nfs/dbraw/zinc/46/99/24/417469924.db2.gz DESVCVKMPHMBGQ-XJKSGUPXSA-N 0 0 312.410 0.681 10 0 DCAERN COCCN(CCOC)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000575471458 417539609 /nfs/dbraw/zinc/53/96/09/417539609.db2.gz JOFKAHKTLZDHOJ-UHFFFAOYSA-N 0 0 320.349 0.394 10 0 DCAERN CC1(C)O[C@H]2CO[C@](O)(CO)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000575627364 417541149 /nfs/dbraw/zinc/54/11/49/417541149.db2.gz IAUQVXMYMFREHC-RZLSGREXSA-N 0 0 310.346 0.803 10 0 DCAERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1 ZINC000622725748 417502682 /nfs/dbraw/zinc/50/26/82/417502682.db2.gz JEDKITWKVMNMPY-GFCCVEGCSA-N 0 0 313.361 0.784 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 ZINC000627776275 417502886 /nfs/dbraw/zinc/50/28/86/417502886.db2.gz VUNWEIFIQDRGEU-ZIAGYGMSSA-N 0 0 320.345 0.484 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000633879020 417507318 /nfs/dbraw/zinc/50/73/18/417507318.db2.gz ULOJAXYQIIJIIC-HZPDHXFCSA-N 0 0 308.378 0.893 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000627831871 417509963 /nfs/dbraw/zinc/50/99/63/417509963.db2.gz RDEMOEGSFOTUOD-UMSPYCQHSA-N 0 0 303.318 0.208 10 0 DCAERN CC(=O)c1cc(C(=O)NCC(=O)N2CCCO2)c(C)nc1C ZINC000627887958 417525938 /nfs/dbraw/zinc/52/59/38/417525938.db2.gz CAUQAQOMKIULGI-UHFFFAOYSA-N 0 0 305.334 0.795 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@@H](O)Cc2cccc(F)c2)n1 ZINC000454743534 417578062 /nfs/dbraw/zinc/57/80/62/417578062.db2.gz RPOJIWJJCYEMBC-AWEZNQCLSA-N 0 0 306.341 0.962 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(c3nccnn3)CC2)o1 ZINC000628381422 417615508 /nfs/dbraw/zinc/61/55/08/417615508.db2.gz DIYIKMJVLCTVNL-UHFFFAOYSA-N 0 0 301.306 0.630 10 0 DCAERN CCN1C[C@@H](NC(=O)NCC(=O)NC2CCCCC2)CC1=O ZINC000455426344 417603049 /nfs/dbraw/zinc/60/30/49/417603049.db2.gz ZDDNQNOFQRBZRU-LBPRGKRZSA-N 0 0 310.398 0.355 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N1CCOC3(CCC3)C1)N(C)C2 ZINC000644407366 417567743 /nfs/dbraw/zinc/56/77/43/417567743.db2.gz JYWUDJMATOVUFM-GFCCVEGCSA-N 0 0 305.382 0.182 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)C2CC2)c1 ZINC000440203426 287394525 /nfs/dbraw/zinc/39/45/25/287394525.db2.gz WADYYNWIHXVJJX-CQSZACIVSA-N 0 0 312.391 0.486 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000440288411 287397471 /nfs/dbraw/zinc/39/74/71/287397471.db2.gz YDSNTPZREWNVKE-JTQLQIEISA-N 0 0 309.341 0.935 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1O ZINC000635373825 417646062 /nfs/dbraw/zinc/64/60/62/417646062.db2.gz LNNZKOOYHVGSJG-JSGCOSHPSA-N 0 0 319.361 0.637 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635379931 417647940 /nfs/dbraw/zinc/64/79/40/417647940.db2.gz CAXPUIIPKCUTTO-ZIAGYGMSSA-N 0 0 313.361 0.470 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1nnnn1C ZINC000532327020 417670913 /nfs/dbraw/zinc/67/09/13/417670913.db2.gz NKLZWCJGIPVOIH-NDBYEHHHSA-N 0 0 308.430 0.971 10 0 DCAERN Cn1cc(Br)cc1C(=O)N[C@@H]1CCOC[C@@H]1O ZINC000629228158 417762476 /nfs/dbraw/zinc/76/24/76/417762476.db2.gz ORSCSASWCDXUEY-SCZZXKLOSA-N 0 0 303.156 0.667 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474179 417705833 /nfs/dbraw/zinc/70/58/33/417705833.db2.gz SCIDISFZIKSNOG-CABCVRRESA-N 0 0 311.426 0.918 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628869769 417707292 /nfs/dbraw/zinc/70/72/92/417707292.db2.gz NEVGPQDGYYBSHJ-HUUCEWRRSA-N 0 0 316.357 0.434 10 0 DCAERN O=C(CNC(=O)NCc1nnc(C2CC2)[nH]1)NC1CCCCC1 ZINC000458116096 417721921 /nfs/dbraw/zinc/72/19/21/417721921.db2.gz SMPDVSNLYPNPTQ-UHFFFAOYSA-N 0 0 320.397 0.930 10 0 DCAERN CC(C)(C)CCC1(O)CC(C(=O)NC[C@H](O)Cn2ccnn2)C1 ZINC000458123846 417723027 /nfs/dbraw/zinc/72/30/27/417723027.db2.gz AADSPIYXKIXFMH-UYJPIKCFSA-N 0 0 324.425 0.723 10 0 DCAERN Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)C2 ZINC000458127690 417723472 /nfs/dbraw/zinc/72/34/72/417723472.db2.gz DAMNVEFWTCHBSP-HIFRSBDPSA-N 0 0 316.361 0.376 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458127132 417724223 /nfs/dbraw/zinc/72/42/23/417724223.db2.gz MTPRRBIEAIKWEW-CYBMUJFWSA-N 0 0 304.350 0.451 10 0 DCAERN Cc1ccc(OCCC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000458142441 417725248 /nfs/dbraw/zinc/72/52/48/417725248.db2.gz OXHMTKNXEZERER-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C(=O)c1ccc2c(c1)CCC2 ZINC000458151629 417725442 /nfs/dbraw/zinc/72/54/42/417725442.db2.gz WPEMRZKJEOEPKV-AWEZNQCLSA-N 0 0 314.345 0.127 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C12CCC2 ZINC000458205274 417730745 /nfs/dbraw/zinc/73/07/45/417730745.db2.gz XEHUWLAZDQWKJW-XJKCOSOUSA-N 0 0 320.389 0.673 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)CC)[C@@H]1c1cnn(C)c1 ZINC000657120268 417814673 /nfs/dbraw/zinc/81/46/73/417814673.db2.gz TZIUFWZFPSJKQD-STQMWFEESA-N 0 0 316.427 0.121 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccnn2-c2ccccn2)CCO1 ZINC000648022764 418087770 /nfs/dbraw/zinc/08/77/70/418087770.db2.gz YLQWGKBFLCQNTC-CYBMUJFWSA-N 0 0 301.350 0.214 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000664267645 418106917 /nfs/dbraw/zinc/10/69/17/418106917.db2.gz LRHBXRDQXZDUKU-RQJHMYQMSA-N 0 0 311.285 0.719 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccncc1Br ZINC000664269042 418107405 /nfs/dbraw/zinc/10/74/05/418107405.db2.gz NWUKNIOZHCJDJR-NXEZZACHSA-N 0 0 321.196 0.490 10 0 DCAERN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc2ccccc2n1C ZINC000655467235 418265703 /nfs/dbraw/zinc/26/57/03/418265703.db2.gz LCVCDJXAFFVAIU-SNVBAGLBSA-N 0 0 309.391 0.981 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451213588 287459743 /nfs/dbraw/zinc/45/97/43/287459743.db2.gz ANWZCCOMFBRSOW-CZUORRHYSA-N 0 0 309.410 0.953 10 0 DCAERN O=C(CNC(=O)C1(c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000181044645 545902400 /nfs/dbraw/zinc/90/24/00/545902400.db2.gz WIEJPYWXEFNWBP-UHFFFAOYSA-N 0 0 306.337 0.832 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCSC2(CCOCC2)C1 ZINC000460014394 287508476 /nfs/dbraw/zinc/50/84/76/287508476.db2.gz VFWKQVHOPZUVNP-UHFFFAOYSA-N 0 0 312.435 0.979 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)C ZINC000487339588 287534861 /nfs/dbraw/zinc/53/48/61/287534861.db2.gz UNQAOYOGPCTECL-ZJUUUORDSA-N 0 0 308.400 0.018 10 0 DCAERN NC(=O)Cn1cc(C(=O)Nc2nc(C(F)(F)F)cs2)nn1 ZINC000487493202 287538156 /nfs/dbraw/zinc/53/81/56/287538156.db2.gz BFBBHQSJNUQQFT-UHFFFAOYSA-N 0 0 320.256 0.491 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(SC)CC1 ZINC000488336606 287549874 /nfs/dbraw/zinc/54/98/74/287549874.db2.gz ZUHASWYTLBIAOV-RKDXNWHRSA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC)SC ZINC000488142671 287546392 /nfs/dbraw/zinc/54/63/92/287546392.db2.gz CNIKVIXPYNGDTQ-GUBZILKMSA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC)SC ZINC000488142672 287546457 /nfs/dbraw/zinc/54/64/57/287546457.db2.gz CNIKVIXPYNGDTQ-KXUCPTDWSA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccncc1F ZINC000488159326 287546725 /nfs/dbraw/zinc/54/67/25/287546725.db2.gz HGIXBSAAQLUMPW-IUCAKERBSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C)cn1 ZINC000488573376 287553961 /nfs/dbraw/zinc/55/39/61/287553961.db2.gz NWAGEDNDVIXTAI-GHMZBOCLSA-N 0 0 322.365 0.968 10 0 DCAERN CCCNC(=O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489526754 287554972 /nfs/dbraw/zinc/55/49/72/287554972.db2.gz FOHXSCMFTQEZJW-UHFFFAOYSA-N 0 0 318.381 0.487 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@]23CCOC3=O)C1 ZINC000249479424 299846937 /nfs/dbraw/zinc/84/69/37/299846937.db2.gz VCQONLBAHUPVMZ-WCQYABFASA-N 0 0 302.396 0.745 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H](C)C2)C1 ZINC000191640304 299847547 /nfs/dbraw/zinc/84/75/47/299847547.db2.gz KXJPDHDYGPBISA-NWDGAFQWSA-N 0 0 324.468 0.330 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)cc1 ZINC000299362230 229074753 /nfs/dbraw/zinc/07/47/53/229074753.db2.gz VRHBVSPHBDXJLW-UHFFFAOYSA-N 0 0 309.391 0.254 10 0 DCAERN CCn1cc(CCN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000299743617 229382595 /nfs/dbraw/zinc/38/25/95/229382595.db2.gz LRNCUTDRSHBPCB-CABCVRRESA-N 0 0 324.400 0.717 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000300555235 229472279 /nfs/dbraw/zinc/47/22/79/229472279.db2.gz RVTQAIGDIVEXEC-KXNHARMFSA-N 0 0 305.396 0.409 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](CCO)C1 ZINC000228063424 545945640 /nfs/dbraw/zinc/94/56/40/545945640.db2.gz FUKWDFHBMWQQFI-VIFPVBQESA-N 0 0 307.803 0.857 10 0 DCAERN Nc1nc(Cl)cc(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000301987768 230020314 /nfs/dbraw/zinc/02/03/14/230020314.db2.gz DNYNRMCYDVZCCF-UHFFFAOYSA-N 0 0 319.818 0.245 10 0 DCAERN CC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000071497891 261106413 /nfs/dbraw/zinc/10/64/13/261106413.db2.gz ILRCOQWNRGZUQL-BXKDBHETSA-N 0 0 318.329 0.739 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)N[C@H]3CCOC3)CC2)cn1 ZINC000179152619 261111497 /nfs/dbraw/zinc/11/14/97/261111497.db2.gz SONFDYZOBCMMPN-AWEZNQCLSA-N 0 0 307.398 0.426 10 0 DCAERN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@H](O)C[C@@H]1CO ZINC000184721920 261119130 /nfs/dbraw/zinc/11/91/30/261119130.db2.gz GRVPDULGOFSPGO-OAMVRSDCSA-N 0 0 322.449 0.887 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003426 261119644 /nfs/dbraw/zinc/11/96/44/261119644.db2.gz IQSDSFLVGVIKBX-JTQLQIEISA-N 0 0 312.395 0.940 10 0 DCAERN C[C@H](CNC(=O)NCc1cc(C(N)=O)co1)CN1CCOCC1 ZINC000187209982 261122556 /nfs/dbraw/zinc/12/25/56/261122556.db2.gz LWPWNUHDMUMPPC-LLVKDONJSA-N 0 0 324.381 0.146 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@H]1CCC(C)(C)O1)c2=O ZINC000187377674 261123948 /nfs/dbraw/zinc/12/39/48/261123948.db2.gz HFXCUUIJRKGKKM-SNVBAGLBSA-N 0 0 319.365 0.204 10 0 DCAERN CO[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC[C@H]1C ZINC000187833643 261125054 /nfs/dbraw/zinc/12/50/54/261125054.db2.gz SOTFWECTSBODOF-PWSUYJOCSA-N 0 0 319.365 0.013 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000187879080 261125070 /nfs/dbraw/zinc/12/50/70/261125070.db2.gz CTDXAXCAEDAGOC-RYUDHWBXSA-N 0 0 306.428 0.541 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000188718147 261129306 /nfs/dbraw/zinc/12/93/06/261129306.db2.gz UKZZYHTVYFUILW-UHFFFAOYSA-N 0 0 314.407 0.607 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000190493292 261134784 /nfs/dbraw/zinc/13/47/84/261134784.db2.gz VIKWNOXJUCWGHT-UHFFFAOYSA-N 0 0 317.267 0.983 10 0 DCAERN COc1ccc2[nH]c(C(=O)NCCCc3nc(=O)[nH][nH]3)cc2c1 ZINC000190546654 261134945 /nfs/dbraw/zinc/13/49/45/261134945.db2.gz DOONRAGFNXHFNO-UHFFFAOYSA-N 0 0 315.333 0.951 10 0 DCAERN Cc1ccc([C@H](CNC(=O)N2CC(CO)C2)N2CCOCC2)o1 ZINC000190649995 261135735 /nfs/dbraw/zinc/13/57/35/261135735.db2.gz LMBQTODVFAUDQE-AWEZNQCLSA-N 0 0 323.393 0.595 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1cccs1 ZINC000191251904 261136647 /nfs/dbraw/zinc/13/66/47/261136647.db2.gz SLNZXUXKKLOVFU-SNVBAGLBSA-N 0 0 324.406 0.398 10 0 DCAERN COc1ncccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000194577773 261147046 /nfs/dbraw/zinc/14/70/46/261147046.db2.gz VOEBOYMTCRGPKD-UHFFFAOYSA-N 0 0 304.350 0.335 10 0 DCAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000194807571 261148407 /nfs/dbraw/zinc/14/84/07/261148407.db2.gz FDHXICLTDNWSLU-FZMZJTMJSA-N 0 0 317.389 0.967 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000195158183 261150769 /nfs/dbraw/zinc/15/07/69/261150769.db2.gz YEIGEENUTBMQJI-BXUZGUMPSA-N 0 0 303.362 0.366 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1CO ZINC000228065471 261153086 /nfs/dbraw/zinc/15/30/86/261153086.db2.gz ZYYVMEUZIXMZNL-WCBMZHEXSA-N 0 0 307.803 0.903 10 0 DCAERN COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OC ZINC000238383899 261165776 /nfs/dbraw/zinc/16/57/76/261165776.db2.gz ZNCLEXNPKBERLW-DTWKUNHWSA-N 0 0 304.343 0.204 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCC2CCOCC2)CC1 ZINC000342117145 261185851 /nfs/dbraw/zinc/18/58/51/261185851.db2.gz GZKQDHVBWLLDFD-UHFFFAOYSA-N 0 0 300.424 0.837 10 0 DCAERN CCN1CCO[C@H](C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675875 261570258 /nfs/dbraw/zinc/57/02/58/261570258.db2.gz OKTINJIXARWGIA-BBRMVZONSA-N 0 0 312.410 0.504 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357785931 261586017 /nfs/dbraw/zinc/58/60/17/261586017.db2.gz HTKFCBUBCXSAGH-NWDGAFQWSA-N 0 0 312.414 0.553 10 0 DCAERN Cc1nc(CN(C)C(=O)Cn2nnc3ccccc3c2=O)no1 ZINC000358506030 261675629 /nfs/dbraw/zinc/67/56/29/261675629.db2.gz HNKGEMVGCLVQPE-UHFFFAOYSA-N 0 0 314.305 0.142 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000358847849 261706077 /nfs/dbraw/zinc/70/60/77/261706077.db2.gz HKBWSHKVRUFRDH-MBJXGIAVSA-N 0 0 324.421 0.536 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(=O)N(C)C1 ZINC000360491175 261837312 /nfs/dbraw/zinc/83/73/12/261837312.db2.gz PTRWYJSMKNVZLG-AWEZNQCLSA-N 0 0 303.362 0.034 10 0 DCAERN COC(=O)c1cc(CN2CC(=O)N(C)C2)cc(C(=O)OC)c1 ZINC000360488436 261837326 /nfs/dbraw/zinc/83/73/26/261837326.db2.gz JNTKYAFCBBQLMC-UHFFFAOYSA-N 0 0 306.318 0.491 10 0 DCAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000360668939 261859982 /nfs/dbraw/zinc/85/99/82/261859982.db2.gz ATDNZAIXLTYTSZ-PLNCSYRRSA-N 0 0 324.421 0.416 10 0 DCAERN C/C=C/C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361536228 261935832 /nfs/dbraw/zinc/93/58/32/261935832.db2.gz JNOTXTQLXSXUOZ-SCBUBVSKSA-N 0 0 317.407 0.825 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@](C)(OC)C2CC2)C1 ZINC000361551702 261937242 /nfs/dbraw/zinc/93/72/42/261937242.db2.gz QKKPKDNGBFZJQB-WFASDCNBSA-N 0 0 312.414 0.905 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)N2CC(n3ccnn3)C2)cn1 ZINC000361937416 261979610 /nfs/dbraw/zinc/97/96/10/261979610.db2.gz OFYAEYHFUORCMT-UHFFFAOYSA-N 0 0 315.337 0.214 10 0 DCAERN COC[C@](C)(NC(=O)c1ccc(C(N)=O)nc1)C(F)(F)F ZINC000362205842 262009627 /nfs/dbraw/zinc/00/96/27/262009627.db2.gz WPAQXADIIZSDIQ-NSHDSACASA-N 0 0 305.256 0.878 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccn1 ZINC000362463234 262037411 /nfs/dbraw/zinc/03/74/11/262037411.db2.gz GJSDQMSYBUQTTB-UWVGGRQHSA-N 0 0 308.338 0.659 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000362731282 262066210 /nfs/dbraw/zinc/06/62/10/262066210.db2.gz OCHMYHBANLWZPQ-RAIGVLPGSA-N 0 0 312.435 0.917 10 0 DCAERN CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000362835812 262078471 /nfs/dbraw/zinc/07/84/71/262078471.db2.gz AYZIVRWZXWJCHA-ZETCQYMHSA-N 0 0 303.388 0.313 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1=O ZINC000363422389 262115460 /nfs/dbraw/zinc/11/54/60/262115460.db2.gz MQZWZQRKKJVVFH-BLFANLJRSA-N 0 0 320.393 0.058 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000363911466 262135683 /nfs/dbraw/zinc/13/56/83/262135683.db2.gz RSMLAKYNHPFXKC-JTQLQIEISA-N 0 0 305.334 0.361 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000363916215 262136634 /nfs/dbraw/zinc/13/66/34/262136634.db2.gz DSMXVSYMAKZZNJ-GFCCVEGCSA-N 0 0 304.346 0.421 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000364005089 262139448 /nfs/dbraw/zinc/13/94/48/262139448.db2.gz XHHZHTSGOYDDKZ-AWEZNQCLSA-N 0 0 321.352 0.099 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)N1CCN2CCOC[C@H]2C1 ZINC000363998695 262139597 /nfs/dbraw/zinc/13/95/97/262139597.db2.gz LMZUNCPJAQKNDA-CQSZACIVSA-N 0 0 315.377 0.560 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)C[C@@H](C(N)=O)O1 ZINC000370481576 262145894 /nfs/dbraw/zinc/14/58/94/262145894.db2.gz UYPRMJRWZSKLHJ-NRUUGDAUSA-N 0 0 301.412 0.556 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021067 262161422 /nfs/dbraw/zinc/16/14/22/262161422.db2.gz RLEZUTBMQFTSPY-HQJQHLMTSA-N 0 0 304.318 0.910 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@@H]([C@H](C)O)C1 ZINC000412066476 262180769 /nfs/dbraw/zinc/18/07/69/262180769.db2.gz DDXNBAZHNWLHHS-SWLSCSKDSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412103214 262182527 /nfs/dbraw/zinc/18/25/27/262182527.db2.gz YNZPENXUBJWFGW-WFASDCNBSA-N 0 0 306.362 0.909 10 0 DCAERN COC1([C@@H](C)NC(=O)c2cc(S(N)(=O)=O)cn2C)CCC1 ZINC000412774989 262194499 /nfs/dbraw/zinc/19/44/99/262194499.db2.gz FOLTVMAOASZJKZ-SECBINFHSA-N 0 0 315.395 0.360 10 0 DCAERN C(CC[NH+]1CCOCC1)CN=c1[n-]c(C2CCOCC2)no1 ZINC000413063207 262199726 /nfs/dbraw/zinc/19/97/26/262199726.db2.gz SGGKFZTYVMQVTF-UHFFFAOYSA-N 0 0 310.398 0.910 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000155773122 533685824 /nfs/dbraw/zinc/68/58/24/533685824.db2.gz ZZUJKRPPQNNDGP-VHSXEESVSA-N 0 0 307.325 0.877 10 0 DCAERN CC(C)c1noc(CCCNC(=O)NCCNC(=O)C2CC2)n1 ZINC000195464752 270954602 /nfs/dbraw/zinc/95/46/02/270954602.db2.gz ZZIYMQQQNHMHOY-UHFFFAOYSA-N 0 0 323.397 0.951 10 0 DCAERN C[C@H](CNC(=O)CCOc1ccccc1Cl)S(N)(=O)=O ZINC000355687129 271022147 /nfs/dbraw/zinc/02/21/47/271022147.db2.gz VAWFERGUASCMLT-SECBINFHSA-N 0 0 320.798 0.902 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@@H]2C1 ZINC000358929828 271082017 /nfs/dbraw/zinc/08/20/17/271082017.db2.gz FBLYZBRBAFSEQM-NXRJPMIISA-N 0 0 311.426 0.950 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C)[C@@H]2C)n1 ZINC000359217014 271105241 /nfs/dbraw/zinc/10/52/41/271105241.db2.gz AJXVRYKKDDRNPC-RYUDHWBXSA-N 0 0 321.377 0.385 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(C)Cc2ccon2)n1 ZINC000359223531 271107052 /nfs/dbraw/zinc/10/70/52/271107052.db2.gz DPDVLVKADIRLQW-UHFFFAOYSA-N 0 0 318.333 0.396 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610279 271131856 /nfs/dbraw/zinc/13/18/56/271131856.db2.gz MMKOWSLYAARYDB-ZYHUDNBSSA-N 0 0 304.412 0.199 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](CO)C1CC1 ZINC000359772013 271142745 /nfs/dbraw/zinc/14/27/45/271142745.db2.gz CMCJRFIDAAPRLO-MNOVXSKESA-N 0 0 306.428 0.085 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000363342543 271186561 /nfs/dbraw/zinc/18/65/61/271186561.db2.gz DSKSHNUSWKOMQQ-GJZGRUSLSA-N 0 0 315.373 0.355 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)sc2C1 ZINC000434992911 271552494 /nfs/dbraw/zinc/55/24/94/271552494.db2.gz WDTKDGKVNJLHLJ-HTQZYQBOSA-N 0 0 322.390 0.211 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000442737133 271681823 /nfs/dbraw/zinc/68/18/23/271681823.db2.gz MVRFPVNAXWNAIE-MFKMUULPSA-N 0 0 304.412 0.342 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC)cn2)C1 ZINC000445209859 271747607 /nfs/dbraw/zinc/74/76/07/271747607.db2.gz HGOWDGQDRRXQAW-GFCCVEGCSA-N 0 0 321.381 0.693 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2noc(C3CC3)n2)CC12COC2 ZINC000451135085 271890676 /nfs/dbraw/zinc/89/06/76/271890676.db2.gz MFWUMGPMZMIAED-NSHDSACASA-N 0 0 307.350 0.959 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)C[C@@H](C)COCC)C1 ZINC000451308494 271894652 /nfs/dbraw/zinc/89/46/52/271894652.db2.gz CLMILYVGIRFKCN-NWDGAFQWSA-N 0 0 321.443 0.382 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(C)n(C)n2)CC12COC2 ZINC000452254586 271912254 /nfs/dbraw/zinc/91/22/54/271912254.db2.gz FYBMKPYJLLEOAD-LLVKDONJSA-N 0 0 307.350 0.380 10 0 DCAERN COc1ccc(Cl)cc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458137734 271943523 /nfs/dbraw/zinc/94/35/23/271943523.db2.gz ZFSMXXRYSXPALC-JTQLQIEISA-N 0 0 310.741 0.731 10 0 DCAERN COc1ccc(CCCN(C)C(=O)C(=O)N(C)CCCO)cc1 ZINC000460007718 272024097 /nfs/dbraw/zinc/02/40/97/272024097.db2.gz HXMPYZSKJXLXCM-UHFFFAOYSA-N 0 0 322.405 0.927 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)[C@H](C)OC)CC2 ZINC000460375403 272026208 /nfs/dbraw/zinc/02/62/08/272026208.db2.gz YCEDVFBSRZAMED-VWYCJHECSA-N 0 0 311.386 0.462 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)OC ZINC000466489596 272027252 /nfs/dbraw/zinc/02/72/52/272027252.db2.gz DSBFLUDYTLOIHP-GARJFASQSA-N 0 0 307.416 0.133 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000471942847 272033456 /nfs/dbraw/zinc/03/34/56/272033456.db2.gz UTLLMRSVTJPEDI-JTQLQIEISA-N 0 0 315.399 0.112 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc(C)cn1 ZINC000487150745 272039053 /nfs/dbraw/zinc/03/90/53/272039053.db2.gz GSOWGYWPRSPRLD-VXGBXAGGSA-N 0 0 324.381 0.154 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@H](CNC(N)=O)C2)[nH]n1 ZINC000487547259 272041959 /nfs/dbraw/zinc/04/19/59/272041959.db2.gz FUQNYSFGJHOXHX-ZYHUDNBSSA-N 0 0 322.413 0.739 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncn1 ZINC000488617058 272047232 /nfs/dbraw/zinc/04/72/32/272047232.db2.gz SGMDAODQKKRJSK-IUCAKERBSA-N 0 0 309.326 0.054 10 0 DCAERN O=C(NCc1ccccc1OCCO)NC[C@H](O)C(F)F ZINC000489613562 272064484 /nfs/dbraw/zinc/06/44/84/272064484.db2.gz SBGFWOFLTNBNJM-JTQLQIEISA-N 0 0 304.293 0.483 10 0 DCAERN CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000494127502 272210698 /nfs/dbraw/zinc/21/06/98/272210698.db2.gz QYBSMECPSBINIM-VXGBXAGGSA-N 0 0 322.409 0.999 10 0 DCAERN CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000494127500 272211131 /nfs/dbraw/zinc/21/11/31/272211131.db2.gz QYBSMECPSBINIM-RYUDHWBXSA-N 0 0 322.409 0.999 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)[C@H](C)C1=O ZINC000494321860 272218216 /nfs/dbraw/zinc/21/82/16/272218216.db2.gz CFAOKJFBGFECCY-CHWSQXEVSA-N 0 0 317.455 0.904 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CCOC ZINC000494877152 272233359 /nfs/dbraw/zinc/23/33/59/272233359.db2.gz JHCUACMAWQVEIZ-VWYCJHECSA-N 0 0 317.386 0.167 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1 ZINC000518180171 272479791 /nfs/dbraw/zinc/47/97/91/272479791.db2.gz LASYMAQLPWIBKD-UHFFFAOYSA-N 0 0 303.318 0.162 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000524579901 272566208 /nfs/dbraw/zinc/56/62/08/272566208.db2.gz DUJUZVVYJLHTPI-NEPJUHHUSA-N 0 0 311.382 0.720 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000525381927 272575161 /nfs/dbraw/zinc/57/51/61/272575161.db2.gz FKJICERQCVFPKD-XQQFMLRXSA-N 0 0 316.423 0.469 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000530460668 272741938 /nfs/dbraw/zinc/74/19/38/272741938.db2.gz FQHZTBHLEUJCDV-IJLUTSLNSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)O1 ZINC000178019118 287665166 /nfs/dbraw/zinc/66/51/66/287665166.db2.gz NWXOYFNTCHBLDH-OCCSQVGLSA-N 0 0 303.362 0.934 10 0 DCAERN CC(C)n1cc([C@H](C)NC(=O)N2CC[C@H](NC(N)=O)C2)cn1 ZINC000534225984 287806365 /nfs/dbraw/zinc/80/63/65/287806365.db2.gz GXXPMWWQNIHATE-JQWIXIFHSA-N 0 0 308.386 0.977 10 0 DCAERN COCCOc1ccc(CNC(=O)NCc2ccn(C)n2)cn1 ZINC000534287079 287809485 /nfs/dbraw/zinc/80/94/85/287809485.db2.gz NAZDJXDEYATQRR-UHFFFAOYSA-N 0 0 319.365 0.840 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000534298378 287810971 /nfs/dbraw/zinc/81/09/71/287810971.db2.gz CHQBNSUIDSUMGC-LBPRGKRZSA-N 0 0 317.345 0.660 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000541548323 287921336 /nfs/dbraw/zinc/92/13/36/287921336.db2.gz BMOCJXAABJARFD-YPMHNXCESA-N 0 0 314.345 0.940 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc(N3CCCC3)nn2)CCC1=O ZINC000133602276 276979148 /nfs/dbraw/zinc/97/91/48/276979148.db2.gz CALUIQVZARRDSI-NSHDSACASA-N 0 0 303.366 0.427 10 0 DCAERN CN1C[C@H](NC(=O)Nc2nc3c(s2)COCC3)CCC1=O ZINC000172498386 276986084 /nfs/dbraw/zinc/98/60/84/276986084.db2.gz MZEDOQGGJODOHR-MRVPVSSYSA-N 0 0 310.379 0.958 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000296415213 277016169 /nfs/dbraw/zinc/01/61/69/277016169.db2.gz XHXDWHQMNCIFCX-SCDSUCTJSA-N 0 0 304.346 0.782 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408039276 277052028 /nfs/dbraw/zinc/05/20/28/277052028.db2.gz UPRRLQFQMSRGEO-MPKXVKKWSA-N 0 0 307.394 0.513 10 0 DCAERN COCCN1CCN(C(=O)CCCCNC(N)=O)C[C@@H]1C ZINC000117284945 277223648 /nfs/dbraw/zinc/22/36/48/277223648.db2.gz MKSIVTYDXNAWLF-LBPRGKRZSA-N 0 0 300.403 0.004 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000545229126 287989694 /nfs/dbraw/zinc/98/96/94/287989694.db2.gz GGBNTAWVDOGVMA-TZMCWYRMSA-N 0 0 308.386 0.557 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000333581451 277930778 /nfs/dbraw/zinc/93/07/78/277930778.db2.gz RLAPXYJFAPRDMB-LBPRGKRZSA-N 0 0 320.393 0.120 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408258655 277950975 /nfs/dbraw/zinc/95/09/75/277950975.db2.gz ZIRZPQGGWUBTHZ-RAIGVLPGSA-N 0 0 320.411 0.020 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000377673415 278008108 /nfs/dbraw/zinc/00/81/08/278008108.db2.gz BPPFGCNWVODHMS-CABCVRRESA-N 0 0 315.373 0.609 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000408045872 278031565 /nfs/dbraw/zinc/03/15/65/278031565.db2.gz IWFAWTIAHVDLJV-IJEWVQPXSA-N 0 0 310.394 0.530 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000367756865 278063617 /nfs/dbraw/zinc/06/36/17/278063617.db2.gz YEZZWYJZILUVSD-VXGBXAGGSA-N 0 0 320.370 0.668 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C ZINC000329310213 278068751 /nfs/dbraw/zinc/06/87/51/278068751.db2.gz CGNYRMBNKICXGA-DSJMHWKBSA-N 0 0 310.394 0.384 10 0 DCAERN CC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183732451 278093134 /nfs/dbraw/zinc/09/31/34/278093134.db2.gz YMJAYQWXRDMGPN-AWEZNQCLSA-N 0 0 307.325 0.270 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)N1CCNC(=O)CC1 ZINC000122612741 278144227 /nfs/dbraw/zinc/14/42/27/278144227.db2.gz WGSKGGBJSQFJQX-CYBMUJFWSA-N 0 0 301.390 0.782 10 0 DCAERN CCOC(=O)CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCC1 ZINC000546632306 288022733 /nfs/dbraw/zinc/02/27/33/288022733.db2.gz GWPSYKHODBEMHX-LLVKDONJSA-N 0 0 308.378 0.942 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@@H](C)[C@@H]3CCOC3)CC2)n1 ZINC000547371699 288041197 /nfs/dbraw/zinc/04/11/97/288041197.db2.gz UDMSJXRMOVZLOH-WCQYABFASA-N 0 0 323.397 0.630 10 0 DCAERN CC1=C(C(=O)N2CC(n3ccnn3)C2)[C@H](C)n2ncnc2N1C ZINC000366975528 278479796 /nfs/dbraw/zinc/47/97/96/278479796.db2.gz WJROZSGCRHVNDE-JTQLQIEISA-N 0 0 314.353 0.238 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000547737868 288074275 /nfs/dbraw/zinc/07/42/75/288074275.db2.gz REJBEYSRWRBXJQ-BLLLJJGKSA-N 0 0 316.361 0.516 10 0 DCAERN CCc1ncncc1C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000547981911 288098400 /nfs/dbraw/zinc/09/84/00/288098400.db2.gz ITIVJEOMVQAVEZ-UHFFFAOYSA-N 0 0 320.393 0.748 10 0 DCAERN C[C@H](CC(=O)N1CCN(CCO)[C@H](C)C1)N1CCCCC1=O ZINC000328740907 279245648 /nfs/dbraw/zinc/24/56/48/279245648.db2.gz IPWDJFUUAKVRBY-ZIAGYGMSSA-N 0 0 311.426 0.303 10 0 DCAERN CCN1CCCN(C(=O)N[C@H]2CCCn3ncnc32)CC1=O ZINC000189881415 279287060 /nfs/dbraw/zinc/28/70/60/279287060.db2.gz BKGRYIUDUKRHOY-NSHDSACASA-N 0 0 306.370 0.377 10 0 DCAERN Cn1c(=O)c2ccc(C(=O)N3CCCC3(C)C)nc2n(C)c1=O ZINC000102918748 279302812 /nfs/dbraw/zinc/30/28/12/279302812.db2.gz JMYUGHVKASWWDN-UHFFFAOYSA-N 0 0 316.361 0.647 10 0 DCAERN C[C@H]1CN(C(=O)c2cccnc2C(N)=O)CC2(CCOCC2)O1 ZINC000548404426 288140273 /nfs/dbraw/zinc/14/02/73/288140273.db2.gz JHNHRCYIUDPBTC-NSHDSACASA-N 0 0 319.361 0.591 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)COc2cnn(C)c2)C[C@H](C)O1 ZINC000548812243 288178466 /nfs/dbraw/zinc/17/84/66/288178466.db2.gz MOMNSAXMJCRYKZ-BETUJISGSA-N 0 0 310.398 0.367 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(c3ccccc3O)CC2)cn1 ZINC000548843288 288181351 /nfs/dbraw/zinc/18/13/51/288181351.db2.gz PWKKISRUVIVFEN-UHFFFAOYSA-N 0 0 316.361 0.853 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000548869883 288183215 /nfs/dbraw/zinc/18/32/15/288183215.db2.gz SHUHUTCMWDFNSJ-LBPRGKRZSA-N 0 0 316.365 0.374 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)CCN3C(N)=O)cn1 ZINC000548871404 288183532 /nfs/dbraw/zinc/18/35/32/288183532.db2.gz KELSUQRWQRZGTF-UHFFFAOYSA-N 0 0 315.333 0.879 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCN[C@H](c2ccncc2)C1 ZINC000548885625 288184523 /nfs/dbraw/zinc/18/45/23/288184523.db2.gz KPZNJHPXHVFFCN-ZDUSSCGKSA-N 0 0 308.345 0.911 10 0 DCAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186940889 280000426 /nfs/dbraw/zinc/00/04/26/280000426.db2.gz YIFMRNSFOFPCHX-WFASDCNBSA-N 0 0 322.324 0.706 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N[C@H](CO)C1CCOCC1 ZINC000549062408 288191170 /nfs/dbraw/zinc/19/11/70/288191170.db2.gz GGZDYMUCUAPZEW-UKRRQHHQSA-N 0 0 322.409 0.884 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000332830850 280399181 /nfs/dbraw/zinc/39/91/81/280399181.db2.gz QVSASPMZXIPPCZ-DSZLRUIBSA-N 0 0 323.393 0.542 10 0 DCAERN Cc1cc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000267523274 280587909 /nfs/dbraw/zinc/58/79/09/280587909.db2.gz HCLNWXNEQXVLKR-WCQYABFASA-N 0 0 302.382 0.590 10 0 DCAERN CC[C@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@@]2(CCOC2)O1 ZINC000408326128 288259105 /nfs/dbraw/zinc/25/91/05/288259105.db2.gz JDHYVDBBSOVJLB-GXTWGEPZSA-N 0 0 319.423 0.606 10 0 DCAERN CC1(C)CCC[C@H]1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000287761378 281063051 /nfs/dbraw/zinc/06/30/51/281063051.db2.gz UHLWNNYYLWEXTC-WDEREUQCSA-N 0 0 305.382 0.924 10 0 DCAERN O=C(NCC1(OCCO)CCOCC1)c1cn2cccnc2n1 ZINC000554592943 288331928 /nfs/dbraw/zinc/33/19/28/288331928.db2.gz RVACJVTZXQGPAN-UHFFFAOYSA-N 0 0 320.349 0.017 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](C)NC(=O)C2CCCC2)C1 ZINC000554702981 288335956 /nfs/dbraw/zinc/33/59/56/288335956.db2.gz UPSNNVJUMYRCRT-WCQYABFASA-N 0 0 324.425 0.601 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ncn(C)n1 ZINC000554733502 288336515 /nfs/dbraw/zinc/33/65/15/288336515.db2.gz HKBZGEIBCILNJX-GXSJLCMTSA-N 0 0 303.370 0.986 10 0 DCAERN CC1=C(C(=O)N2CCCN(C)C(=O)C2)[C@H](C)n2ncnc2N1C ZINC000192614776 281627479 /nfs/dbraw/zinc/62/74/79/281627479.db2.gz GIIYGJVZPZPQMT-NSHDSACASA-N 0 0 318.381 0.254 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000556762422 288391845 /nfs/dbraw/zinc/39/18/45/288391845.db2.gz KEPAAQFMWSDYDU-CQSZACIVSA-N 0 0 302.382 0.939 10 0 DCAERN O=C(NC[C@]1(O)CCSC1)C(=O)Nc1ccc2nccn2c1 ZINC000557377591 288418512 /nfs/dbraw/zinc/41/85/12/288418512.db2.gz NACXXNAUIXOPMH-CQSZACIVSA-N 0 0 320.374 0.257 10 0 DCAERN O=C(c1ncsc1Br)N1CCO[C@H](CO)C1 ZINC000557658873 288428350 /nfs/dbraw/zinc/42/83/50/288428350.db2.gz ZDHKRKWFYXLZOG-LURJTMIESA-N 0 0 307.169 0.739 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000558372626 288440801 /nfs/dbraw/zinc/44/08/01/288440801.db2.gz INSQKLQVWMCEBY-SDDRHHMPSA-N 0 0 306.366 0.067 10 0 DCAERN CC(C)c1ncc(CN(C)C(=O)CN2CCOCC2=O)cn1 ZINC000558668113 288454052 /nfs/dbraw/zinc/45/40/52/288454052.db2.gz VTRMNYKMRVPLSD-UHFFFAOYSA-N 0 0 306.366 0.417 10 0 DCAERN C[C@@H](CNS(=O)(=O)N(C)[C@@H](C)C1CC1)N1CCCCC1=O ZINC000558683126 288455583 /nfs/dbraw/zinc/45/55/83/288455583.db2.gz HFRSELNVCVGRJC-RYUDHWBXSA-N 0 0 317.455 0.952 10 0 DCAERN CCc1nnc(N2CCO[C@@H](C(N)=O)C2)n1Cc1ccccc1 ZINC000558929178 288462619 /nfs/dbraw/zinc/46/26/19/288462619.db2.gz QKOGQOHUVVAQJC-CYBMUJFWSA-N 0 0 315.377 0.579 10 0 DCAERN COC[C@@H]1NC(=O)N(CC[C@H]2COc3ccccc3O2)C1=O ZINC000562388740 288571145 /nfs/dbraw/zinc/57/11/45/288571145.db2.gz IOBULOQMFXDCNE-QWRGUYRKSA-N 0 0 306.318 0.783 10 0 DCAERN CCn1c(=O)c2ccc(C(=O)[O-])cc2nc1N1CC[NH2+]CC1 ZINC000040351753 288673953 /nfs/dbraw/zinc/67/39/53/288673953.db2.gz GIMQNVSDNZKASR-UHFFFAOYSA-N 0 0 302.334 0.524 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCSC2)C1)C(C)C ZINC000564570995 288751161 /nfs/dbraw/zinc/75/11/61/288751161.db2.gz IWQDPSRRORKNFK-GXTWGEPZSA-N 0 0 300.424 0.882 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCSC2)C1)C(C)C ZINC000564570996 288751171 /nfs/dbraw/zinc/75/11/71/288751171.db2.gz IWQDPSRRORKNFK-JSGCOSHPSA-N 0 0 300.424 0.882 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000564951030 288795881 /nfs/dbraw/zinc/79/58/81/288795881.db2.gz DPFJBFNTISNKOW-JQWIXIFHSA-N 0 0 319.361 0.901 10 0 DCAERN C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(N)=O)c2)CCN1C ZINC000408082458 289015282 /nfs/dbraw/zinc/01/52/82/289015282.db2.gz GTOODGLYBAPMJS-MNOVXSKESA-N 0 0 311.407 0.499 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cnn2c1CCCC2 ZINC000127500644 289023893 /nfs/dbraw/zinc/02/38/93/289023893.db2.gz PNXSLTHEJGSFHD-MNOVXSKESA-N 0 0 311.407 0.867 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cc2n(n1)CCCO2 ZINC000329589219 289047611 /nfs/dbraw/zinc/04/76/11/289047611.db2.gz SOZCMCSYSSYDIK-TZMCWYRMSA-N 0 0 320.393 0.601 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCn1c(C)c(C)sc1=O)C(C)C ZINC000178726277 290602763 /nfs/dbraw/zinc/60/27/63/290602763.db2.gz LWUJHFPYIDMFQR-GFCCVEGCSA-N 0 0 313.423 0.804 10 0 DCAERN COC[C@H]1CN(C(=O)c2nccn3ccnc23)CC(C)(C)O1 ZINC000285598194 293231987 /nfs/dbraw/zinc/23/19/87/293231987.db2.gz UKVGTXHYVWZDTH-LLVKDONJSA-N 0 0 304.350 0.995 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000082980231 293520159 /nfs/dbraw/zinc/52/01/59/293520159.db2.gz WKGKKRIHTKQAKE-GHMZBOCLSA-N 0 0 306.370 0.328 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@@H]2CCO)[C@H](C)CO1 ZINC000408059087 297052952 /nfs/dbraw/zinc/05/29/52/297052952.db2.gz FZGUQVQDRBTDEF-UTUOFQBUSA-N 0 0 324.468 0.140 10 0 DCAERN Cn1cc(C(=O)N2CCCc3c(N)cccc32)c(=O)[nH]c1=O ZINC000262047602 294210320 /nfs/dbraw/zinc/21/03/20/294210320.db2.gz USMRXEGQARTPBP-UHFFFAOYSA-N 0 0 300.318 0.661 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(OC(F)F)cc1 ZINC000091784012 295120215 /nfs/dbraw/zinc/12/02/15/295120215.db2.gz BLDSFHZITOFIKK-JTQLQIEISA-N 0 0 300.261 0.614 10 0 DCAERN O=C(Cn1cnc2cnccc2c1=O)N1CCOC[C@@H]1C1CC1 ZINC000376967786 295563306 /nfs/dbraw/zinc/56/33/06/295563306.db2.gz NHQJLJAZEAUDRN-CQSZACIVSA-N 0 0 314.345 0.429 10 0 DCAERN O=C(N1CCS(=O)(=O)CC1)N1CCOc2ccc(F)cc21 ZINC000333002737 295577079 /nfs/dbraw/zinc/57/70/79/295577079.db2.gz BDFRQVGXGPQVSQ-UHFFFAOYSA-N 0 0 314.338 0.875 10 0 DCAERN C[C@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000373573006 298081646 /nfs/dbraw/zinc/08/16/46/298081646.db2.gz DYZGWXQVLSJKOI-BXKDBHETSA-N 0 0 307.316 0.608 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000269210686 304575469 /nfs/dbraw/zinc/57/54/69/304575469.db2.gz WAJAQOUCNYVWAT-QWHCGFSZSA-N 0 0 322.361 0.494 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000180160597 298176316 /nfs/dbraw/zinc/17/63/16/298176316.db2.gz LKRCKDBGWMRKJZ-MRVWCRGKSA-N 0 0 310.419 0.981 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)N(C)C)CCS1(=O)=O ZINC000172373749 300160928 /nfs/dbraw/zinc/16/09/28/300160928.db2.gz UPXYIWNPYZLIFF-DZGCQCFKSA-N 0 0 324.446 0.805 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000184324500 300610179 /nfs/dbraw/zinc/61/01/79/300610179.db2.gz FLDHQURJOXSAQU-SWHYSGLUSA-N 0 0 324.402 0.406 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCCn3ncnc31)CS2 ZINC000177600938 300866344 /nfs/dbraw/zinc/86/63/44/300866344.db2.gz ICEUYCIUHBCWOM-BFVZDQMLSA-N 0 0 321.406 0.683 10 0 DCAERN Cc1c(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)cnn1C ZINC000293406461 300986117 /nfs/dbraw/zinc/98/61/17/300986117.db2.gz MVKYZEHGRMMMSP-VIFPVBQESA-N 0 0 313.301 0.416 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000408070785 304731747 /nfs/dbraw/zinc/73/17/47/304731747.db2.gz KKUDDJFFKDQWTH-RKDXNWHRSA-N 0 0 303.302 0.758 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000181702818 302937261 /nfs/dbraw/zinc/93/72/61/302937261.db2.gz STMVZCRTCGMLAA-CQSZACIVSA-N 0 0 324.381 0.894 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1nc(Cl)ccc1Cl ZINC000126751921 303308145 /nfs/dbraw/zinc/30/81/45/303308145.db2.gz RNYJCGPYZCEVBX-ZETCQYMHSA-N 0 0 304.133 0.715 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000408056220 303321727 /nfs/dbraw/zinc/32/17/27/303321727.db2.gz DZDNAAICFQHNEL-VILUFWDLSA-N 0 0 308.378 0.221 10 0 DCAERN O=C(NC[C@H]1CCCn2ccnc21)N[C@@H]1CCc2ncnn2C1 ZINC000332693980 332855786 /nfs/dbraw/zinc/85/57/86/332855786.db2.gz VNGNCYNGTKWURP-VXGBXAGGSA-N 0 0 315.381 0.666 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NCC(=O)NC2CCCCC2)CCO1 ZINC000332881097 332893746 /nfs/dbraw/zinc/89/37/46/332893746.db2.gz LNGWCNYXZXQNMJ-WCQYABFASA-N 0 0 318.439 0.922 10 0 DCAERN CC[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000570117270 332714350 /nfs/dbraw/zinc/71/43/50/332714350.db2.gz LTLKWYBTSARPFU-STQMWFEESA-N 0 0 321.421 0.905 10 0 DCAERN C[C@H](CNC(=O)c1cc2c(cn1)nc[nH]c2=O)Cn1cccn1 ZINC000188352017 333044877 /nfs/dbraw/zinc/04/48/77/333044877.db2.gz YRTDJCSSJWMXJK-SNVBAGLBSA-N 0 0 312.333 0.581 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000190558208 336264070 /nfs/dbraw/zinc/26/40/70/336264070.db2.gz NNORVBKBFLOSQS-QWRGUYRKSA-N 0 0 304.350 0.866 10 0 DCAERN CCN1CN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1=O ZINC000190580104 336264195 /nfs/dbraw/zinc/26/41/95/336264195.db2.gz WWGUUYHJDVPPDT-VIFPVBQESA-N 0 0 310.379 0.496 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)CN3CCCNC3=O)cc21 ZINC000584504261 337351234 /nfs/dbraw/zinc/35/12/34/337351234.db2.gz CWBWPCMAHLACMI-UHFFFAOYSA-N 0 0 314.345 0.892 10 0 DCAERN COC(=O)[C@]1(CO)CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000584605866 337371623 /nfs/dbraw/zinc/37/16/23/337371623.db2.gz JJSDYSWGTUSRBP-CYBMUJFWSA-N 0 0 317.338 0.514 10 0 DCAERN NC(=O)c1ccn(-c2cc(I)ccn2)n1 ZINC000584619288 337373277 /nfs/dbraw/zinc/37/32/77/337373277.db2.gz KITRBTYVUIQIIN-UHFFFAOYSA-N 0 0 314.086 0.971 10 0 DCAERN CN(C)S(=O)(=O)c1c(Br)nc2n1CCOC2 ZINC000536954836 337868468 /nfs/dbraw/zinc/86/84/68/337868468.db2.gz MQEUJBPPYBAKNU-UHFFFAOYSA-N 0 0 310.173 0.426 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000332994346 338561974 /nfs/dbraw/zinc/56/19/74/338561974.db2.gz NFSHKIWZJBSBRI-JNIYBQFBSA-N 0 0 324.381 0.326 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)NC1CC1 ZINC000580584509 341881968 /nfs/dbraw/zinc/88/19/68/341881968.db2.gz NELZILWJAPXYIC-ZYHUDNBSSA-N 0 0 304.412 0.141 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)c1cnn(C)c1 ZINC000577162702 341892761 /nfs/dbraw/zinc/89/27/61/341892761.db2.gz MIAXZWQNIMFVMJ-VWYCJHECSA-N 0 0 324.381 0.096 10 0 DCAERN C[C@@H]1c2nncn2CCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000577883853 341946309 /nfs/dbraw/zinc/94/63/09/341946309.db2.gz UZEJPZFQOBLJLT-RDBSUJKOSA-N 0 0 319.409 0.825 10 0 DCAERN CSC[C@H](C)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328654397 533765294 /nfs/dbraw/zinc/76/52/94/533765294.db2.gz XJMMWCHBODWMDB-WDEREUQCSA-N 0 0 303.428 0.680 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)O1 ZINC000155490812 534208585 /nfs/dbraw/zinc/20/85/85/534208585.db2.gz UDZDIOSVOJDVBP-VXGBXAGGSA-N 0 0 316.365 0.340 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000158948511 534215294 /nfs/dbraw/zinc/21/52/94/534215294.db2.gz RRRKAJYIZZAJCO-KOLCDFICSA-N 0 0 316.361 0.593 10 0 DCAERN CC(C)(O)CNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188289496 519359202 /nfs/dbraw/zinc/35/92/02/519359202.db2.gz QAIQWMAKJQKCJV-ZDUSSCGKSA-N 0 0 323.368 0.997 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000191114970 519483124 /nfs/dbraw/zinc/48/31/24/519483124.db2.gz OGZIPIPFJGUOKE-HNNXBMFYSA-N 0 0 315.373 0.729 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000188465495 519484307 /nfs/dbraw/zinc/48/43/07/519484307.db2.gz SRVUKUQLRKWISO-AWEZNQCLSA-N 0 0 319.409 0.612 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)C1 ZINC000188431654 519486474 /nfs/dbraw/zinc/48/64/74/519486474.db2.gz YYERTUDVOZMZDD-HNNXBMFYSA-N 0 0 320.393 0.206 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000188588394 519487526 /nfs/dbraw/zinc/48/75/26/519487526.db2.gz SICLOBRQINYBFH-UONOGXRCSA-N 0 0 322.361 0.409 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000365108406 519636308 /nfs/dbraw/zinc/63/63/08/519636308.db2.gz BZOTUPPXEFXWAQ-YUSALJHKSA-N 0 0 324.402 0.807 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000191339513 519647028 /nfs/dbraw/zinc/64/70/28/519647028.db2.gz JDPGPDLDPLFCMS-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1=O ZINC000267535751 519696132 /nfs/dbraw/zinc/69/61/32/519696132.db2.gz BEOOGHMNFLGSTR-GXTWGEPZSA-N 0 0 319.409 0.928 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@H]1CCOC1)[C@@H]2C ZINC000364844152 519895707 /nfs/dbraw/zinc/89/57/07/519895707.db2.gz MSUJKXLBBMGEGC-MNOVXSKESA-N 0 0 314.411 0.897 10 0 DCAERN CCO[C@@H](C)c1noc(CN2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000246864667 520281886 /nfs/dbraw/zinc/28/18/86/520281886.db2.gz ABKAXRQXOVFDEM-UWVGGRQHSA-N 0 0 303.384 0.786 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)c2nccnc2N)C12CCOCC2 ZINC000186459654 520422951 /nfs/dbraw/zinc/42/29/51/520422951.db2.gz GIWUMESNLAEMSH-WDEREUQCSA-N 0 0 306.366 0.763 10 0 DCAERN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cn2cn[nH]c2=O)C1 ZINC000157662666 520677875 /nfs/dbraw/zinc/67/78/75/520677875.db2.gz WLSCFHIQXIXAGQ-RYUDHWBXSA-N 0 0 323.397 0.115 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158716098 520735473 /nfs/dbraw/zinc/73/54/73/520735473.db2.gz KDCLPYWVRQWTPI-AWEZNQCLSA-N 0 0 324.377 0.983 10 0 DCAERN CCC[C@H](CCO)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186547843 521093543 /nfs/dbraw/zinc/09/35/43/521093543.db2.gz LPOLXZURIRBXGD-SNVBAGLBSA-N 0 0 304.350 0.847 10 0 DCAERN CCOC(=O)c1csc(NCCS(=O)(=O)N(C)C)n1 ZINC000231028720 521594358 /nfs/dbraw/zinc/59/43/58/521594358.db2.gz BPCUXCZMHMSVCL-UHFFFAOYSA-N 0 0 307.397 0.623 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1 ZINC000159213342 521596760 /nfs/dbraw/zinc/59/67/60/521596760.db2.gz GAGFJQSPTDVEHC-CYBMUJFWSA-N 0 0 322.409 0.931 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnc(Cl)cc1C ZINC000166718275 521748516 /nfs/dbraw/zinc/74/85/16/521748516.db2.gz VTDWDCZILRWSCF-SNVBAGLBSA-N 0 0 324.768 0.719 10 0 DCAERN CNC(=O)c1ccc(N2CCN([C@H](C)C(F)(F)F)CC2)nn1 ZINC000267271195 521831382 /nfs/dbraw/zinc/83/13/82/521831382.db2.gz ZRDXQHBTSIMIKI-SECBINFHSA-N 0 0 317.315 0.909 10 0 DCAERN COc1c(F)cc(NC(=O)C(=O)NCC[C@@H](C)O)cc1F ZINC000114842396 521853179 /nfs/dbraw/zinc/85/31/79/521853179.db2.gz UZJQXEMTCIQNFX-SSDOTTSWSA-N 0 0 302.277 0.799 10 0 DCAERN COC(=O)c1sc(N2CCOC[C@@H]2C(N)=O)nc1Cl ZINC000129905067 522423251 /nfs/dbraw/zinc/42/32/51/522423251.db2.gz YTEUQMQTUMBPNC-RXMQYKEDSA-N 0 0 305.743 0.274 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)CC2 ZINC000162195960 522522139 /nfs/dbraw/zinc/52/21/39/522522139.db2.gz DEZMQONXBSVPKI-NHYWBVRUSA-N 0 0 307.398 0.712 10 0 DCAERN CN(CC1(CO)CC1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000188979658 522597558 /nfs/dbraw/zinc/59/75/58/522597558.db2.gz NMUMGCYDUOYNKT-UHFFFAOYSA-N 0 0 311.363 0.249 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000188394936 522759213 /nfs/dbraw/zinc/75/92/13/522759213.db2.gz PLBXRKLGJQIUNO-LBPRGKRZSA-N 0 0 307.350 0.813 10 0 DCAERN CCc1nnc(S[C@H]2CCN(c3cc(C)nn3C)C2=O)n1N ZINC000121700291 522785197 /nfs/dbraw/zinc/78/51/97/522785197.db2.gz SIXGNDDFTZIKIW-VIFPVBQESA-N 0 0 321.410 0.494 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000156052213 522941008 /nfs/dbraw/zinc/94/10/08/522941008.db2.gz HHWUZMRXZOAKQT-UHFFFAOYSA-N 0 0 321.352 0.797 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000131287655 523314840 /nfs/dbraw/zinc/31/48/40/523314840.db2.gz BFIZJZLFOPYYJD-ZDUSSCGKSA-N 0 0 322.409 0.654 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000132820226 523316868 /nfs/dbraw/zinc/31/68/68/523316868.db2.gz ZQVIQNXYYVKBAY-STQMWFEESA-N 0 0 309.366 0.618 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000156961286 523682311 /nfs/dbraw/zinc/68/23/11/523682311.db2.gz QPMMRGGOAAKDFF-LLVKDONJSA-N 0 0 321.381 0.709 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)CC[C@H]1C ZINC000191300137 523730427 /nfs/dbraw/zinc/73/04/27/523730427.db2.gz NEWAVNLOQWHDGB-ZYHUDNBSSA-N 0 0 321.377 0.516 10 0 DCAERN CN(C(=O)CCNC(N)=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000131362782 523804164 /nfs/dbraw/zinc/80/41/64/523804164.db2.gz NHWITGBQESLYEU-GFCCVEGCSA-N 0 0 304.350 0.309 10 0 DCAERN COCCOCCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000153953514 524014092 /nfs/dbraw/zinc/01/40/92/524014092.db2.gz MEELVKZFBXOUBA-GFCCVEGCSA-N 0 0 317.411 0.202 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@@H]2C[C@H](C)O)cc1 ZINC000156830882 524051218 /nfs/dbraw/zinc/05/12/18/524051218.db2.gz FXPQCCLCCLLYLX-ZFWWWQNUSA-N 0 0 322.405 0.783 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@H]2C[C@@H](C)O)cc1 ZINC000156830743 524051241 /nfs/dbraw/zinc/05/12/41/524051241.db2.gz FXPQCCLCCLLYLX-UKRRQHHQSA-N 0 0 322.405 0.783 10 0 DCAERN Cc1cccc(C)c1NCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000128148257 524301373 /nfs/dbraw/zinc/30/13/73/524301373.db2.gz RTAVLNCZQFEHNH-HNNXBMFYSA-N 0 0 321.421 0.525 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCc2ccccn2)[C@@H](C)CO1 ZINC000246164413 524656765 /nfs/dbraw/zinc/65/67/65/524656765.db2.gz CXRRIZFVKOPSOW-STQMWFEESA-N 0 0 313.423 0.958 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCS1(=O)=O ZINC000159177727 524660039 /nfs/dbraw/zinc/66/00/39/524660039.db2.gz LHFSPOUNCAREFT-QMMMGPOBSA-N 0 0 324.811 0.543 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)n1 ZINC000270607503 524843141 /nfs/dbraw/zinc/84/31/41/524843141.db2.gz BYXUXEPEDRCVEC-NEPJUHHUSA-N 0 0 321.381 0.494 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCS1(=O)=O ZINC000155388827 524932604 /nfs/dbraw/zinc/93/26/04/524932604.db2.gz UMUIJOPGFOYWQX-SECBINFHSA-N 0 0 317.798 0.792 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000109036036 524957351 /nfs/dbraw/zinc/95/73/51/524957351.db2.gz CTTOJHPJRVDBIO-GZMMTYOYSA-N 0 0 302.334 0.893 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000270644457 525047278 /nfs/dbraw/zinc/04/72/78/525047278.db2.gz KOPGXJRDDPCHNF-CHWSQXEVSA-N 0 0 318.377 0.726 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)n(-c2ccc(C)nn2)n1 ZINC000187924190 525110646 /nfs/dbraw/zinc/11/06/46/525110646.db2.gz IJLWXLGWSYDREK-LDYMZIIASA-N 0 0 314.349 0.742 10 0 DCAERN C[C@@H](NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000268652458 525174402 /nfs/dbraw/zinc/17/44/02/525174402.db2.gz PGHKPYFHKCQNEA-IAQYHMDHSA-N 0 0 323.397 0.154 10 0 DCAERN Cc1cc(NC(=O)N[C@@H]2CCC(=O)NC2=O)ccc1N(C)C ZINC000125610851 525197907 /nfs/dbraw/zinc/19/79/07/525197907.db2.gz ZIPSOBJMAGWKGH-LLVKDONJSA-N 0 0 304.350 0.988 10 0 DCAERN Cc1cc(NC(=O)N[C@H]2CCC(=O)NC2=O)ccc1N(C)C ZINC000125611078 525202582 /nfs/dbraw/zinc/20/25/82/525202582.db2.gz ZIPSOBJMAGWKGH-NSHDSACASA-N 0 0 304.350 0.988 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3C[C@H](O)C3(C)C)cnc12 ZINC000190523895 534840547 /nfs/dbraw/zinc/84/05/47/534840547.db2.gz ICZDBRXPBNHNPE-RYUDHWBXSA-N 0 0 301.346 0.892 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)C(=O)NC(C)(C)C ZINC000176601024 525229718 /nfs/dbraw/zinc/22/97/18/525229718.db2.gz DSSNFXYYMODUBU-NXEZZACHSA-N 0 0 308.386 0.715 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000154483664 525360452 /nfs/dbraw/zinc/36/04/52/525360452.db2.gz NWRMLQOBZJCDMX-FQEVSTJZSA-N 0 0 302.440 0.326 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000190475064 525577370 /nfs/dbraw/zinc/57/73/70/525577370.db2.gz ALNXLHLEJIVXBY-UWJYBYFXSA-N 0 0 316.354 0.449 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000228063850 525718213 /nfs/dbraw/zinc/71/82/13/525718213.db2.gz WHEQVAKOBHHJSS-SECBINFHSA-N 0 0 313.832 0.466 10 0 DCAERN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC[C@@H](C)O)C2=O ZINC000136048523 526140552 /nfs/dbraw/zinc/14/05/52/526140552.db2.gz UOHHSNRAJXEADY-MNOVXSKESA-N 0 0 304.346 0.867 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890925 526175767 /nfs/dbraw/zinc/17/57/67/526175767.db2.gz SFMKLNMPYXOVNF-BDAKNGLRSA-N 0 0 318.424 0.094 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000156188976 526211584 /nfs/dbraw/zinc/21/15/84/526211584.db2.gz TYXRUDPQGBXYTQ-PSASIEDQSA-N 0 0 305.338 0.781 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)nn1C(C)(C)C ZINC000157449024 526261626 /nfs/dbraw/zinc/26/16/26/526261626.db2.gz MXQJJDVKNBQULG-ZYHUDNBSSA-N 0 0 308.382 0.661 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2CCNC(=O)C2(C)C)CC1 ZINC000173053766 526529577 /nfs/dbraw/zinc/52/95/77/526529577.db2.gz UFJLORQVWKQFAO-UHFFFAOYSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000299556553 526595871 /nfs/dbraw/zinc/59/58/71/526595871.db2.gz CSDZKKVDHADFNC-NSHDSACASA-N 0 0 321.358 0.810 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000365939299 526792149 /nfs/dbraw/zinc/79/21/49/526792149.db2.gz ZXDFTCXAWPXCRC-AWEZNQCLSA-N 0 0 322.336 0.664 10 0 DCAERN O=C(N[C@@H](CCO)c1ccco1)N[C@@H]1CCc2ncnn2C1 ZINC000187310789 526855803 /nfs/dbraw/zinc/85/58/03/526855803.db2.gz YQDIYURXKPHWEX-MNOVXSKESA-N 0 0 305.338 0.609 10 0 DCAERN Cc1nc(CNC(=O)NCCC(=O)N2CCCCCC2)no1 ZINC000266796373 526879991 /nfs/dbraw/zinc/87/99/91/526879991.db2.gz TVLGOSKLLTZZHU-UHFFFAOYSA-N 0 0 309.370 0.970 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1COCCN1 ZINC000237678494 526929920 /nfs/dbraw/zinc/92/99/20/526929920.db2.gz PBBHAMRMJBRANN-PWSUYJOCSA-N 0 0 310.785 0.418 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000154339597 527008690 /nfs/dbraw/zinc/00/86/90/527008690.db2.gz PCACTOKJSZTILP-WCQYABFASA-N 0 0 321.381 0.332 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1=COCCO1 ZINC000191562521 527046282 /nfs/dbraw/zinc/04/62/82/527046282.db2.gz QSAUPYXJZRIGME-ZDUSSCGKSA-N 0 0 320.320 0.931 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CCO)c1 ZINC000188918225 527087919 /nfs/dbraw/zinc/08/79/19/527087919.db2.gz YXJLWCMCWMWAPD-MFKMUULPSA-N 0 0 312.391 0.615 10 0 DCAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187980752 527192970 /nfs/dbraw/zinc/19/29/70/527192970.db2.gz XDKGLLVGYGWAMK-UHFFFAOYSA-N 0 0 323.299 0.640 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1O ZINC000331314203 527245023 /nfs/dbraw/zinc/24/50/23/527245023.db2.gz CPAFPDDANBUABO-NSHDSACASA-N 0 0 306.362 0.733 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCOC[C@@H](O)C1 ZINC000295431139 527397632 /nfs/dbraw/zinc/39/76/32/527397632.db2.gz DAPQYVJDEIEFTM-YPMHNXCESA-N 0 0 306.362 0.909 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2c(F)cccc2F)C1)C1CC1 ZINC000187929910 527542909 /nfs/dbraw/zinc/54/29/09/527542909.db2.gz GTNIXFNPGJRRQB-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN CC1CCN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000155243210 528219421 /nfs/dbraw/zinc/21/94/21/528219421.db2.gz OBMGWOCZWKBOPF-UHFFFAOYSA-N 0 0 302.440 0.754 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000162975260 528417998 /nfs/dbraw/zinc/41/79/98/528417998.db2.gz BJYCCJJDFWXFDT-RYUDHWBXSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000155036591 528608282 /nfs/dbraw/zinc/60/82/82/528608282.db2.gz KHYYETCLPGZJMS-FRRDWIJNSA-N 0 0 322.471 0.973 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000151934380 528615709 /nfs/dbraw/zinc/61/57/09/528615709.db2.gz FLKTVVKDETVKLV-WDEREUQCSA-N 0 0 314.411 0.739 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(CC(C)(C)O)C1CC1 ZINC000187755149 528887461 /nfs/dbraw/zinc/88/74/61/528887461.db2.gz ACYNTGBAZVEGGY-UHFFFAOYSA-N 0 0 308.382 0.994 10 0 DCAERN CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1c1ncc[nH]1 ZINC000328614602 529133487 /nfs/dbraw/zinc/13/34/87/529133487.db2.gz ALZCHUCWIJUZEH-RISCZKNCSA-N 0 0 310.423 0.483 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CCOc2ccccc21 ZINC000060857016 535055929 /nfs/dbraw/zinc/05/59/29/535055929.db2.gz MPCFEBQTSWNRKL-UHFFFAOYSA-N 0 0 305.378 0.870 10 0 DCAERN CCC[NH2+][C@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678477 545661684 /nfs/dbraw/zinc/66/16/84/545661684.db2.gz GFPCYAHFELEODR-MRVPVSSYSA-N 0 0 323.134 0.941 10 0 DCAERN CCOc1nccnc1N1CC[C@H](N(C)C(=O)NCCOC)C1 ZINC000065268948 545658440 /nfs/dbraw/zinc/65/84/40/545658440.db2.gz TWADHMWRRWBIQG-LBPRGKRZSA-N 0 0 323.397 0.742 10 0 DCAERN C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(N)=O ZINC000078772346 545683686 /nfs/dbraw/zinc/68/36/86/545683686.db2.gz FUEYRSDSAQRKOE-ZETCQYMHSA-N 0 0 324.337 0.958 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000089549277 545714430 /nfs/dbraw/zinc/71/44/30/545714430.db2.gz NEKKTHMOIPCBFC-CABCVRRESA-N 0 0 318.373 0.462 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000119422439 545737673 /nfs/dbraw/zinc/73/76/73/545737673.db2.gz IVUPSRWZVLBKMH-AAEUAGOBSA-N 0 0 318.439 0.589 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2c(C)nn3c2nc(C)cc3C)C1 ZINC000121629537 545749914 /nfs/dbraw/zinc/74/99/14/545749914.db2.gz ZRFKPJBVDBLZNH-UHFFFAOYSA-N 0 0 315.377 0.863 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000130043959 545784952 /nfs/dbraw/zinc/78/49/52/545784952.db2.gz WHWJGLCMOSXNCA-STQMWFEESA-N 0 0 318.439 0.662 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000133188082 545797043 /nfs/dbraw/zinc/79/70/43/545797043.db2.gz RDNOPSIZOSLPNX-WDEREUQCSA-N 0 0 306.428 0.324 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2coc(Br)c2)O1 ZINC000152575391 545827665 /nfs/dbraw/zinc/82/76/65/545827665.db2.gz FDDNGKBMOUEARK-YUMQZZPRSA-N 0 0 317.139 0.805 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000157093861 545849483 /nfs/dbraw/zinc/84/94/83/545849483.db2.gz LBPLRBZDHFZJNU-APPZFPTMSA-N 0 0 304.393 0.232 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000157097161 545850028 /nfs/dbraw/zinc/85/00/28/545850028.db2.gz QHVYEYQUZAUMPJ-ZWNOBZJWSA-N 0 0 312.391 0.560 10 0 DCAERN O=c1cc(CN2CCOC[C@@H]2CO)nc2ccc(Cl)cn12 ZINC000168852616 545879503 /nfs/dbraw/zinc/87/95/03/545879503.db2.gz TVGRZXUHNKFWSW-LBPRGKRZSA-N 0 0 309.753 0.541 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000175492110 545886391 /nfs/dbraw/zinc/88/63/91/545886391.db2.gz NTKSBAWOCDLRNL-UHFFFAOYSA-N 0 0 315.439 0.301 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000179383455 545898850 /nfs/dbraw/zinc/89/88/50/545898850.db2.gz WYDDFGHWBLMLSJ-SNVBAGLBSA-N 0 0 310.354 0.371 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1S(N)(=O)=O ZINC000179454678 545899149 /nfs/dbraw/zinc/89/91/49/545899149.db2.gz RCPPEKVJECNPFG-NWDGAFQWSA-N 0 0 312.391 0.676 10 0 DCAERN O=C(NCCCn1ccnn1)NCCCN1CCCCCC1=O ZINC000182043594 545904509 /nfs/dbraw/zinc/90/45/09/545904509.db2.gz DQMOFLWLMIYNAD-UHFFFAOYSA-N 0 0 322.413 0.760 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000183065885 545906257 /nfs/dbraw/zinc/90/62/57/545906257.db2.gz IFCCLBZYKCPYJR-XQQFMLRXSA-N 0 0 305.382 0.925 10 0 DCAERN COCCCOC1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000183438362 545908829 /nfs/dbraw/zinc/90/88/29/545908829.db2.gz SKBJOZVGWCVWBO-UHFFFAOYSA-N 0 0 318.373 0.988 10 0 DCAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N1CCC[C@H]1CO ZINC000189921391 545922676 /nfs/dbraw/zinc/92/26/76/545922676.db2.gz QPHBGYBTVBYECS-ZDUSSCGKSA-N 0 0 314.345 0.794 10 0 DCAERN Cc1c(C(=O)N2CC(CO)C2)nnn1Cc1ccc(F)cc1F ZINC000190193022 545922872 /nfs/dbraw/zinc/92/28/72/545922872.db2.gz CFFGCUGVRZUHBI-UHFFFAOYSA-N 0 0 322.315 0.977 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000194180360 545932625 /nfs/dbraw/zinc/93/26/25/545932625.db2.gz RFTJKGASLDYVGI-VXGBXAGGSA-N 0 0 312.414 0.601 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000249726930 545972749 /nfs/dbraw/zinc/97/27/49/545972749.db2.gz PKSROCHHXCQHHJ-QJPTWQEYSA-N 0 0 304.412 0.220 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000250089652 545972980 /nfs/dbraw/zinc/97/29/80/545972980.db2.gz SRVDQVJWLBLNSY-CMPLNLGQSA-N 0 0 309.391 0.558 10 0 DCAERN Ic1cnc(NC2COCCOC2)nc1 ZINC000306715208 546021866 /nfs/dbraw/zinc/02/18/66/546021866.db2.gz RYNKAIZUHJJHKG-UHFFFAOYSA-N 0 0 321.118 0.909 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1O)CC2 ZINC000332877882 546064229 /nfs/dbraw/zinc/06/42/29/546064229.db2.gz FAYYNIQALMGZJX-RWMBFGLXSA-N 0 0 307.398 0.752 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000332871576 546064479 /nfs/dbraw/zinc/06/44/79/546064479.db2.gz RDKTXERNPRIRQN-TUAOUCFPSA-N 0 0 304.412 0.414 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)N1C[C@H](F)C[C@H]1CO)CC2 ZINC000333026499 546070221 /nfs/dbraw/zinc/07/02/21/546070221.db2.gz GMHFYUXDMFODGF-TUAOUCFPSA-N 0 0 311.361 0.263 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1=O ZINC000333350796 546078588 /nfs/dbraw/zinc/07/85/88/546078588.db2.gz FGQBJAYWTXBLRP-MKBNYLNASA-N 0 0 323.393 0.470 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000401901860 546226431 /nfs/dbraw/zinc/22/64/31/546226431.db2.gz RCFHTBSSIUBIHG-GFCCVEGCSA-N 0 0 304.368 0.453 10 0 DCAERN C[C@H](O)[C@H](C)N1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000446807309 546258248 /nfs/dbraw/zinc/25/82/48/546258248.db2.gz AAPXPYMFVWOVFO-UTEYVOQOSA-N 0 0 305.334 0.322 10 0 DCAERN C[C@H]([C@H](C)O)N1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000446814742 546258571 /nfs/dbraw/zinc/25/85/71/546258571.db2.gz ZCPAWIOTRDGCQN-LSYCYVAJSA-N 0 0 320.345 0.994 10 0 DCAERN CN1Cc2ccccc2[C@@H](NC(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC000534995464 546290483 /nfs/dbraw/zinc/29/04/83/546290483.db2.gz SIRKVVATNLWTAI-OCCSQVGLSA-N 0 0 317.393 0.625 10 0 DCAERN COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000021810431 660937992 /nfs/dbraw/zinc/93/79/92/660937992.db2.gz ZBUUMVWMKCSRQW-LLVKDONJSA-N 0 0 315.391 0.989 10 0 DCAERN Cc1ncccc1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093620 661158820 /nfs/dbraw/zinc/15/88/20/661158820.db2.gz LAWKOJHFGBNWPL-LSDHHAIUSA-N 0 0 316.361 0.629 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CNOC2)ccc1OC(C)C ZINC000722499959 661280811 /nfs/dbraw/zinc/28/08/11/661280811.db2.gz FUSIQCLNSRNHHY-LLVKDONJSA-N 0 0 300.380 0.964 10 0 DCAERN COCCN1C[C@@H](C(=O)O[C@@H](C)CCn2cccn2)CC1=O ZINC000180331211 665434800 /nfs/dbraw/zinc/43/48/00/665434800.db2.gz WXNWGKHZZFDIBC-STQMWFEESA-N 0 0 309.366 0.700 10 0 DCAERN COc1csc(C(=O)NCC2(S(N)(=O)=O)CCC2)c1 ZINC000721525356 657558998 /nfs/dbraw/zinc/55/89/98/657558998.db2.gz VWIDRWMSNMEOPL-UHFFFAOYSA-N 0 0 304.393 0.698 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCC(F)(F)F)c(=O)n(C)c1=O ZINC000255140293 657760183 /nfs/dbraw/zinc/76/01/83/657760183.db2.gz DFOCKGJNRNTYET-ARJAWSKDSA-N 0 0 306.240 0.593 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N1CCC(=O)C[C@@H]1C1CC1)N(C)C2 ZINC000891807863 657776264 /nfs/dbraw/zinc/77/62/64/657776264.db2.gz KFLMHHBIJSYRFH-ZIAGYGMSSA-N 0 0 317.393 0.371 10 0 DCAERN CN(CCS(C)(=O)=O)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724096885 657959644 /nfs/dbraw/zinc/95/96/44/657959644.db2.gz QDAJZNMVSNKIAQ-ZETCQYMHSA-N 0 0 313.288 0.911 10 0 DCAERN Cc1ccsc1CNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725007350 658021423 /nfs/dbraw/zinc/02/14/23/658021423.db2.gz ZNZHETLOEFIZOO-SNVBAGLBSA-N 0 0 302.421 0.449 10 0 DCAERN COc1ccccc1C/C(C)=C\C(=O)N1CCOC[C@H]1C(N)=O ZINC000255465135 658187178 /nfs/dbraw/zinc/18/71/78/658187178.db2.gz XDVOEZJMJIZBDT-HCYCVZQXSA-N 0 0 318.373 0.897 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1nnc2ccccn21 ZINC000725715235 658291213 /nfs/dbraw/zinc/29/12/13/658291213.db2.gz RDKNYVPQUOFAPH-LLVKDONJSA-N 0 0 319.390 0.609 10 0 DCAERN CS(=O)(=O)CCNC(=S)NNc1cccc(F)c1F ZINC000743005952 658457669 /nfs/dbraw/zinc/45/76/69/658457669.db2.gz VUKDGUZPIUAVHW-UHFFFAOYSA-N 0 0 309.363 0.800 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000179414292 658496124 /nfs/dbraw/zinc/49/61/24/658496124.db2.gz KXPBVWRCDOYLSZ-RYUDHWBXSA-N 0 0 304.481 0.750 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnnc1[S@@](C)=O ZINC000255050588 658515678 /nfs/dbraw/zinc/51/56/78/658515678.db2.gz GSSMGQOCELFWRF-GTUYJWLHSA-N 0 0 322.394 0.244 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCOCC3(CC3)C2)C1=O ZINC000888076069 658706920 /nfs/dbraw/zinc/70/69/20/658706920.db2.gz UVZWMHZNMPNNKD-ZDUSSCGKSA-N 0 0 310.394 0.653 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2nncn2C2CC2)C1=O ZINC000888076442 658713386 /nfs/dbraw/zinc/71/33/86/658713386.db2.gz KRIMAHOSUMYWPS-GFCCVEGCSA-N 0 0 321.381 0.257 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2cnn(C)c2)C1=O ZINC000888076400 658713602 /nfs/dbraw/zinc/71/36/02/658713602.db2.gz GFQVWUKZEFFBTF-ZDUSSCGKSA-N 0 0 308.382 0.406 10 0 DCAERN COCCN(CCO)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255556920 658721410 /nfs/dbraw/zinc/72/14/10/658721410.db2.gz BCXIWOAIWDDFLD-GFCCVEGCSA-N 0 0 310.398 0.155 10 0 DCAERN CC1(C)CN(C(=O)c2cc(N)nc(Cl)c2)CCS1(=O)=O ZINC000177325680 658741431 /nfs/dbraw/zinc/74/14/31/658741431.db2.gz FEXXLSRWILPRNW-UHFFFAOYSA-N 0 0 317.798 0.966 10 0 DCAERN CCNC(=O)CN(CC)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255081023 658874084 /nfs/dbraw/zinc/87/40/84/658874084.db2.gz NTNVQJJJUOWNFR-LBPRGKRZSA-N 0 0 321.425 0.673 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NCc1cccnc1-n1ccnc1 ZINC000726768671 661667970 /nfs/dbraw/zinc/66/79/70/661667970.db2.gz MTYNMTPOKCJRDI-UHFFFAOYSA-N 0 0 301.350 0.798 10 0 DCAERN COC(=O)C1CCN(C(=O)c2ccc(-n3cnnc3)nc2)CC1 ZINC000223059514 662030086 /nfs/dbraw/zinc/03/00/86/662030086.db2.gz QZFDAHURGYHTFW-UHFFFAOYSA-N 0 0 315.333 0.688 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000338951612 662092151 /nfs/dbraw/zinc/09/21/51/662092151.db2.gz RSQUDHUQZMCSLJ-GFCCVEGCSA-N 0 0 322.390 0.715 10 0 DCAERN NC(=O)CNC(=S)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000727083990 662134352 /nfs/dbraw/zinc/13/43/52/662134352.db2.gz GXBRFQLAAFQXFO-UHFFFAOYSA-N 0 0 312.439 0.071 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000728709639 662413104 /nfs/dbraw/zinc/41/31/04/662413104.db2.gz UUSQRPURPYLYEA-CYBMUJFWSA-N 0 0 300.380 0.321 10 0 DCAERN O=C(NCCS(=O)(=O)c1ccccc1)[C@H]1CC(F)(F)CN1 ZINC000262905176 662596626 /nfs/dbraw/zinc/59/66/26/662596626.db2.gz FBMMSJLFSBZPGU-LLVKDONJSA-N 0 0 318.345 0.574 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccnc(N2CCCCC2)n1 ZINC000739579750 662892563 /nfs/dbraw/zinc/89/25/63/662892563.db2.gz HEQAPHMBSMBKPL-OAQYLSRUSA-N 0 0 310.423 0.965 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCC(=O)N1CCCC1 ZINC000729926716 662913625 /nfs/dbraw/zinc/91/36/25/662913625.db2.gz JTEGPNGYWQJJFZ-UHFFFAOYSA-N 0 0 306.318 0.330 10 0 DCAERN C[C@@H](O)[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000344913681 663080828 /nfs/dbraw/zinc/08/08/28/663080828.db2.gz HNDIWOFZPHPEQH-DTWKUNHWSA-N 0 0 307.393 0.138 10 0 DCAERN C[C@H]1CN(C)C[C@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433254 663090664 /nfs/dbraw/zinc/09/06/64/663090664.db2.gz PSWAZPDKHYIROL-NWDGAFQWSA-N 0 0 303.428 0.084 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CC(Cc2cnn(C)c2)C1)C(C)C ZINC000899012760 663117764 /nfs/dbraw/zinc/11/77/64/663117764.db2.gz LPKXLOSVWYEQMP-CYBMUJFWSA-N 0 0 308.382 0.802 10 0 DCAERN COC(=O)Cn1ccc(=NC(=O)c2ccnc3[nH]c(C)nc32)[nH]1 ZINC000435688043 663297294 /nfs/dbraw/zinc/29/72/94/663297294.db2.gz LKUOZNLSEIPLOJ-UHFFFAOYSA-N 0 0 314.305 0.310 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)c2ccnc3[nH]c(C)nc32)cn1 ZINC000436136252 663423990 /nfs/dbraw/zinc/42/39/90/663423990.db2.gz WZFFMUCFQMVADI-UHFFFAOYSA-N 0 0 313.321 0.461 10 0 DCAERN COC(=O)CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000906585823 663622003 /nfs/dbraw/zinc/62/20/03/663622003.db2.gz CXLMNLAGSAIHCH-CQSZACIVSA-N 0 0 306.362 0.427 10 0 DCAERN CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000908106116 663733963 /nfs/dbraw/zinc/73/39/63/663733963.db2.gz IZGXAVLWDCJTNO-PKCYGIAHSA-N 0 0 320.393 0.573 10 0 DCAERN C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909200307 663786928 /nfs/dbraw/zinc/78/69/28/663786928.db2.gz WXRGBWFFZAAKMW-OMHSBUABSA-N 0 0 314.183 0.847 10 0 DCAERN O=C(NN1CCOCC1)c1cc(N2CCCC2=O)ccc1F ZINC000175159235 664056076 /nfs/dbraw/zinc/05/60/76/664056076.db2.gz ZMPXGSJRWHRNSP-UHFFFAOYSA-N 0 0 307.325 0.930 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)NN2CCCC[C@H]2C)nn1 ZINC000912141359 664144246 /nfs/dbraw/zinc/14/42/46/664144246.db2.gz KLMNRPAOZVYTQR-RAIGVLPGSA-N 0 0 309.370 0.384 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCOC[C@@H]2CO)c1 ZINC000912432738 664172346 /nfs/dbraw/zinc/17/23/46/664172346.db2.gz YOYQOUKBSIMVIS-AWEZNQCLSA-N 0 0 306.362 0.253 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@H]1CO ZINC000912423157 664174294 /nfs/dbraw/zinc/17/42/94/664174294.db2.gz UDZYKYHBKXQKJC-KGLIPLIRSA-N 0 0 322.336 0.398 10 0 DCAERN COC(CNC(=O)[C@@H]1CN(C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221551 664291529 /nfs/dbraw/zinc/29/15/29/664291529.db2.gz UQIXZDGTTNAEOO-HIFRSBDPSA-N 0 0 322.405 0.968 10 0 DCAERN O=C(NCCCN1CCOCC1)c1cnc2nsnc2c1 ZINC000222608692 664383149 /nfs/dbraw/zinc/38/31/49/664383149.db2.gz BDEFCFLHRPCOTG-UHFFFAOYSA-N 0 0 307.379 0.538 10 0 DCAERN C=CCN1C(=O)c2ccc(C(=O)NNC(=O)NC)cc2C1=O ZINC000056375115 664402190 /nfs/dbraw/zinc/40/21/90/664402190.db2.gz SRKBLXSJILBLNE-UHFFFAOYSA-N 0 0 302.290 0.042 10 0 DCAERN O=C(COc1ccc(-n2cnnn2)cc1)NCC1(CO)CCC1 ZINC000223248816 664404838 /nfs/dbraw/zinc/40/48/38/664404838.db2.gz XTBVRWAOBIHBLL-UHFFFAOYSA-N 0 0 317.349 0.320 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC000165226349 664406331 /nfs/dbraw/zinc/40/63/31/664406331.db2.gz OLUKEZNODYPQEJ-MCIONIFRSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nn2c1OCC2 ZINC000223826931 664423824 /nfs/dbraw/zinc/42/38/24/664423824.db2.gz AIUVPJIXUOZRFE-UHFFFAOYSA-N 0 0 313.361 0.941 10 0 DCAERN CC(C)NC(=O)CCNC(=O)c1nn2c(c1Cl)OCCC2 ZINC000223780582 664423859 /nfs/dbraw/zinc/42/38/59/664423859.db2.gz XBFVIYCHKNJSHE-UHFFFAOYSA-N 0 0 314.773 0.964 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1 ZINC000168676891 664529395 /nfs/dbraw/zinc/52/93/95/664529395.db2.gz RMGAZCSSXKDGMZ-LBPRGKRZSA-N 0 0 314.363 0.027 10 0 DCAERN C[C@@H](CNC(=O)c1ccnc(-n2ccnc2)c1)N1CCOCC1 ZINC000060634045 664558866 /nfs/dbraw/zinc/55/88/66/664558866.db2.gz XPQILBJAKOIIJL-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN CC(C)CCn1cc(C(=O)O[C@H]2CCS(=O)(=O)C2)nn1 ZINC000172669087 664623957 /nfs/dbraw/zinc/62/39/57/664623957.db2.gz UCRBDHKVUPTTDW-JTQLQIEISA-N 0 0 301.368 0.668 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000172765786 664624947 /nfs/dbraw/zinc/62/49/47/664624947.db2.gz ALHLEHWRVHMKOQ-UHFFFAOYSA-N 0 0 322.390 0.988 10 0 DCAERN Cc1nn(C)cc1NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000172765713 664624967 /nfs/dbraw/zinc/62/49/67/664624967.db2.gz LUWPIADCQFYZDI-UHFFFAOYSA-N 0 0 314.411 0.873 10 0 DCAERN CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233671 664637763 /nfs/dbraw/zinc/63/77/63/664637763.db2.gz HCJIJHMMQUPMFW-GFCCVEGCSA-N 0 0 319.471 0.983 10 0 DCAERN CC[C@H](Cc1ccccc1)OC(=O)c1cn(CC(N)=O)nn1 ZINC000174547445 664640432 /nfs/dbraw/zinc/64/04/32/664640432.db2.gz ZRQQQSDESOQXTL-GFCCVEGCSA-N 0 0 302.334 0.942 10 0 DCAERN O=C(CCNCc1nc(Br)c[nH]1)N1CCOCC1 ZINC000311227029 664650059 /nfs/dbraw/zinc/65/00/59/664650059.db2.gz PXBLGLSHGHGHJD-UHFFFAOYSA-N 0 0 317.187 0.511 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccccc1 ZINC000151543624 664679316 /nfs/dbraw/zinc/67/93/16/664679316.db2.gz XHTBTAVOBQTNTF-QGZVFWFLSA-N 0 0 313.357 0.835 10 0 DCAERN C[C@H]1CN(Cn2nnn(C(C)(C)C)c2=S)CCS1(=O)=O ZINC000151607254 664708350 /nfs/dbraw/zinc/70/83/50/664708350.db2.gz HWEIDHVCSHXSSZ-VIFPVBQESA-N 0 0 319.456 0.640 10 0 DCAERN CCS(=O)(=O)CCN(C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000152410110 664750722 /nfs/dbraw/zinc/75/07/22/664750722.db2.gz DAPBXBUHGGFZHI-RYUDHWBXSA-N 0 0 314.407 0.262 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000351024060 664757860 /nfs/dbraw/zinc/75/78/60/664757860.db2.gz COINKHFGUHZRTP-CABCVRRESA-N 0 0 322.430 0.970 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000324289741 664789178 /nfs/dbraw/zinc/78/91/78/664789178.db2.gz RSCBYFCGXYFZTO-NXEZZACHSA-N 0 0 309.453 0.430 10 0 DCAERN O=C(COC(=O)Cn1ncc2ccccc21)NC[C@H]1CCCO1 ZINC000730637946 664798975 /nfs/dbraw/zinc/79/89/75/664798975.db2.gz RBAPMLLDPXBASG-CYBMUJFWSA-N 0 0 317.345 0.875 10 0 DCAERN CCNS(=O)(=O)CCNC(=S)NCc1ccccc1 ZINC000731568050 664871993 /nfs/dbraw/zinc/87/19/93/664871993.db2.gz KTIWTFYGUCOCNK-UHFFFAOYSA-N 0 0 301.437 0.590 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731682184 664876950 /nfs/dbraw/zinc/87/69/50/664876950.db2.gz HKYOENFVWXADJW-NEPJUHHUSA-N 0 0 317.455 0.451 10 0 DCAERN C=CC(=O)NCCNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000732099884 664901457 /nfs/dbraw/zinc/90/14/57/664901457.db2.gz LVNPPAZUXLCOMA-AWEZNQCLSA-N 0 0 303.362 0.672 10 0 DCAERN CC(=O)CCN1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000732204785 664908187 /nfs/dbraw/zinc/90/81/87/664908187.db2.gz SBKYNAQQGMLQPN-UHFFFAOYSA-N 0 0 314.393 0.759 10 0 DCAERN CC(=O)N1C[C@@H](C(=O)NCC2(C)COC2)Oc2ccccc21 ZINC000732951251 665016601 /nfs/dbraw/zinc/01/66/01/665016601.db2.gz XQKRYAQRDNNVRC-AWEZNQCLSA-N 0 0 304.346 0.953 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H](C)N2CCc3ccccc32)C1 ZINC000186313507 665392465 /nfs/dbraw/zinc/39/24/65/665392465.db2.gz FVLVFTYADWYKDY-GFCCVEGCSA-N 0 0 317.389 0.411 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCCCn1ccnn1 ZINC000183543697 666067459 /nfs/dbraw/zinc/06/74/59/666067459.db2.gz CUPMAMVFSPLLLX-CYBMUJFWSA-N 0 0 319.365 0.710 10 0 DCAERN C[C@@](O)(CNC(=O)NCCCn1ccnn1)c1cccs1 ZINC000183567397 666069396 /nfs/dbraw/zinc/06/93/96/666069396.db2.gz IITSMFBASRTVAO-CYBMUJFWSA-N 0 0 309.395 0.937 10 0 DCAERN COc1cc(N2CCN(C(=O)c3ccnc(F)c3)CC2)ncn1 ZINC000183846131 666124575 /nfs/dbraw/zinc/12/45/75/666124575.db2.gz WNHKOLFBSVUGHV-UHFFFAOYSA-N 0 0 317.324 0.982 10 0 DCAERN Cc1cc(C(=O)NCCCn2ccnn2)c(N)c([N+](=O)[O-])c1 ZINC000185005113 666317996 /nfs/dbraw/zinc/31/79/96/666317996.db2.gz JFRUDCGLMCGMCX-UHFFFAOYSA-N 0 0 304.310 0.897 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)c1 ZINC000186103974 666679644 /nfs/dbraw/zinc/67/96/44/666679644.db2.gz ATIXSEDVNQAHPO-ZIAGYGMSSA-N 0 0 314.345 0.912 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N(C)C ZINC000733589533 666767065 /nfs/dbraw/zinc/76/70/65/666767065.db2.gz XXLVJJDDJBMGPT-LLVKDONJSA-N 0 0 317.363 0.953 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)NCC[S@](=O)CC)C1 ZINC000733879339 666823338 /nfs/dbraw/zinc/82/33/38/666823338.db2.gz MBUCSRJEWQLUEE-FKIZINRSSA-N 0 0 302.440 0.910 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccccc1S(C)(=O)=O ZINC000733877867 666823480 /nfs/dbraw/zinc/82/34/80/666823480.db2.gz BPMNPESJAVHCNA-GOSISDBHSA-N 0 0 303.405 0.589 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NCC[S@@](=O)CC)c1=O ZINC000733883013 666823610 /nfs/dbraw/zinc/82/36/10/666823610.db2.gz SNGCFDGJPTXHPW-QFIPXVFZSA-N 0 0 323.418 0.708 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000733883035 666823678 /nfs/dbraw/zinc/82/36/78/666823678.db2.gz UDHXZVIIWHGPGW-AYLIAGHASA-N 0 0 302.421 0.751 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)OCc1ccccc1 ZINC000733882091 666823878 /nfs/dbraw/zinc/82/38/78/666823878.db2.gz JRCYLBNVAUWCJE-OAQYLSRUSA-N 0 0 312.391 0.798 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000733958997 666832238 /nfs/dbraw/zinc/83/22/38/666832238.db2.gz CWSKEVBAGANUBN-PRWKNARSSA-N 0 0 302.440 0.956 10 0 DCAERN CCOC(=O)N1CCC[C@@H](C(=O)NCC[S@@](=O)CC)C1 ZINC000733963179 666832585 /nfs/dbraw/zinc/83/25/85/666832585.db2.gz VSYTUPANNLXCJD-GIPWTMENSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000733963903 666832648 /nfs/dbraw/zinc/83/26/48/666832648.db2.gz YTSVAFKVZONKOQ-LJQANCHMSA-N 0 0 318.420 0.557 10 0 DCAERN CCOC(=O)N1CCC[C@H](C(=O)NCC[S@](=O)CC)C1 ZINC000733963180 666832714 /nfs/dbraw/zinc/83/27/14/666832714.db2.gz VSYTUPANNLXCJD-PRWKNARSSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000733964688 666833018 /nfs/dbraw/zinc/83/30/18/666833018.db2.gz SZLKXWFJWCPIPE-GIPWTMENSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cnc2ccc(C)cn2c1=O ZINC000733966631 666833146 /nfs/dbraw/zinc/83/31/46/666833146.db2.gz HSFXHWVLBGHNMD-OAQYLSRUSA-N 0 0 307.375 0.501 10 0 DCAERN O=C(NN1CCOCC1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000734242495 666859952 /nfs/dbraw/zinc/85/99/52/666859952.db2.gz GWISUYHEXDLMIT-UHFFFAOYSA-N 0 0 300.318 0.826 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000734512953 666884665 /nfs/dbraw/zinc/88/46/65/666884665.db2.gz SSYKEMKNXIWXDQ-NRFANRHFSA-N 0 0 310.383 0.631 10 0 DCAERN CC(C)n1nnnc1CSc1nnc(-c2ccccn2)n1N ZINC000118184516 666917218 /nfs/dbraw/zinc/91/72/18/666917218.db2.gz YOYFWNZJLWFKAQ-UHFFFAOYSA-N 0 0 317.382 0.914 10 0 DCAERN C[S@@](=O)CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000735052693 666943930 /nfs/dbraw/zinc/94/39/30/666943930.db2.gz XWPWJPFGJSYCSX-JOCHJYFZSA-N 0 0 324.402 0.687 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000735112525 666954575 /nfs/dbraw/zinc/95/45/75/666954575.db2.gz QJIFWFAVUVVFBG-YEJXKQKISA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000735112323 666954787 /nfs/dbraw/zinc/95/47/87/666954787.db2.gz URIPGXSJODCZAZ-MGNBDDOMSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000735200176 666968578 /nfs/dbraw/zinc/96/85/78/666968578.db2.gz KWACKXGWBDWBML-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000702817671 666999646 /nfs/dbraw/zinc/99/96/46/666999646.db2.gz UCLHJVDZWRLWIQ-GRYCIOLGSA-N 0 0 314.382 0.509 10 0 DCAERN CC(C)N1CC[C@@H](NS(=O)(=O)C2CCC(=O)CC2)C1=O ZINC000709103063 667444035 /nfs/dbraw/zinc/44/40/35/667444035.db2.gz LIXQTXWHOBRPTK-GFCCVEGCSA-N 0 0 302.396 0.427 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCNC(=O)CC2(C)C)c1 ZINC000708145959 667442009 /nfs/dbraw/zinc/44/20/09/667442009.db2.gz ZWKZJDQNLUVHMB-UHFFFAOYSA-N 0 0 300.384 0.192 10 0 DCAERN C[C@H](CN1CCCC1=O)NS(=O)(=O)C1CCC(=O)CC1 ZINC000708187675 667442114 /nfs/dbraw/zinc/44/21/14/667442114.db2.gz MUJJOSDTXWJUCQ-SNVBAGLBSA-N 0 0 302.396 0.428 10 0 DCAERN C[C@@](O)(CNS(=O)(=O)C1CCC(=O)CC1)C(F)(F)F ZINC000708184593 667442234 /nfs/dbraw/zinc/44/22/34/667442234.db2.gz YJJXIINKZPJAGA-SECBINFHSA-N 0 0 303.302 0.731 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)C1=O ZINC000709121223 667444133 /nfs/dbraw/zinc/44/41/33/667444133.db2.gz YHYBEHQEQHIMHZ-SECBINFHSA-N 0 0 303.771 0.634 10 0 DCAERN CS(=O)(=O)NC1CCN(C(=O)c2csc(Cl)n2)CC1 ZINC000709599070 667445578 /nfs/dbraw/zinc/44/55/78/667445578.db2.gz BDCVSTQJGSEDGE-UHFFFAOYSA-N 0 0 323.827 0.950 10 0 DCAERN Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)nn1 ZINC000711709144 667532268 /nfs/dbraw/zinc/53/22/68/667532268.db2.gz ITXVSNLORVCQGL-UHFFFAOYSA-N 0 0 307.375 0.968 10 0 DCAERN CCOCCCNC(=S)N1CC[C@@H](N2CCOCC2)C1 ZINC000135030610 667563544 /nfs/dbraw/zinc/56/35/44/667563544.db2.gz XRVKRRROPJNKSQ-CYBMUJFWSA-N 0 0 301.456 0.694 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C1=COCCO1 ZINC000135079384 667566968 /nfs/dbraw/zinc/56/69/68/667566968.db2.gz IIXOUMSZLNCXGA-NSHDSACASA-N 0 0 315.329 0.789 10 0 DCAERN CC(=O)CCN(C)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000135198015 667577045 /nfs/dbraw/zinc/57/70/45/667577045.db2.gz PXBYWJTZNABSFX-UHFFFAOYSA-N 0 0 318.439 0.922 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737847186 667634969 /nfs/dbraw/zinc/63/49/69/667634969.db2.gz NTAQFBPYQMDRHQ-OAQYLSRUSA-N 0 0 310.354 0.905 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCCC[C@H]1O ZINC000135957211 667683151 /nfs/dbraw/zinc/68/31/51/667683151.db2.gz AJTLVDNQSYYHMO-IJLUTSLNSA-N 0 0 321.464 0.717 10 0 DCAERN CN1C(=O)C[C@@H](CNC(=O)C2(C)COC2)[C@@H]1c1cccnc1 ZINC000886035077 667726061 /nfs/dbraw/zinc/72/60/61/667726061.db2.gz ZFQAONRCDZAWHZ-JSGCOSHPSA-N 0 0 303.362 0.754 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ncnc4[nH]ccc43)C[C@@H]21 ZINC000886035264 667726099 /nfs/dbraw/zinc/72/60/99/667726099.db2.gz NZTOLERIFBCAPP-STQMWFEESA-N 0 0 301.350 0.784 10 0 DCAERN COc1cccnc1CNC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000886078112 667729243 /nfs/dbraw/zinc/72/92/43/667729243.db2.gz MLKBYDUVYZUAMG-CQSZACIVSA-N 0 0 321.377 0.734 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000886084838 667730305 /nfs/dbraw/zinc/73/03/05/667730305.db2.gz KZIWOOSNEXIYAG-UONOGXRCSA-N 0 0 319.365 0.196 10 0 DCAERN O=C([O-])[C@@]1([NH+]2CCN(c3ncc(Cl)cn3)CC2)CCOC1 ZINC000886095484 667731633 /nfs/dbraw/zinc/73/16/33/667731633.db2.gz XWJATFQAPSHXOB-CYBMUJFWSA-N 0 0 312.757 0.496 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000741422439 667770848 /nfs/dbraw/zinc/77/08/48/667770848.db2.gz IMFAZHJAUMSYQD-XMHCIUCPSA-N 0 0 323.418 0.638 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@@H](O)[C@H](C)O ZINC000717414153 667790143 /nfs/dbraw/zinc/79/01/43/667790143.db2.gz TZHYKTCCAUPICE-OIBJUYFYSA-N 0 0 318.167 0.929 10 0 DCAERN O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886992668 667828911 /nfs/dbraw/zinc/82/89/11/667828911.db2.gz SWPHZTRISZCSLU-ZIAGYGMSSA-N 0 0 319.405 0.808 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000221992544 667856464 /nfs/dbraw/zinc/85/64/64/667856464.db2.gz ALOZEPAAFSQIHP-VWYCJHECSA-N 0 0 306.453 0.116 10 0 DCAERN COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccns2)CCO1 ZINC000717771792 667949555 /nfs/dbraw/zinc/94/95/55/667949555.db2.gz NWBCVKVZWVJOEK-MRVPVSSYSA-N 0 0 306.365 0.096 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)OCO2 ZINC000126470397 668599970 /nfs/dbraw/zinc/59/99/70/668599970.db2.gz ONHWCZLXAAYKLJ-SNVBAGLBSA-N 0 0 312.347 0.131 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000126507442 668615963 /nfs/dbraw/zinc/61/59/63/668615963.db2.gz PFPRTKKNMJDMPF-MJBXVCDLSA-N 0 0 314.451 0.944 10 0 DCAERN CCN(Cc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126577889 668627656 /nfs/dbraw/zinc/62/76/56/668627656.db2.gz VFFRYCOZOJDQSN-LLVKDONJSA-N 0 0 316.448 0.873 10 0 DCAERN CN(Cc1cccc(O)c1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126607995 668633835 /nfs/dbraw/zinc/63/38/35/668633835.db2.gz HFPZEQZXLLQOJD-LBPRGKRZSA-N 0 0 312.391 0.127 10 0 DCAERN C[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126704172 668646531 /nfs/dbraw/zinc/64/65/31/668646531.db2.gz VJRCXIVSMJBFHQ-FRRDWIJNSA-N 0 0 302.440 0.706 10 0 DCAERN Cc1ccc(N2CCCN(C[C@@H]3CCCS3(=O)=O)CC2)nn1 ZINC000929535431 668700184 /nfs/dbraw/zinc/70/01/84/668700184.db2.gz KUTJIEHYNJTIJN-AWEZNQCLSA-N 0 0 324.450 0.874 10 0 DCAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@@H](O)CN1CCCC1=O ZINC000131636033 669675417 /nfs/dbraw/zinc/67/54/17/669675417.db2.gz QJZBPSZVKSCMET-LBPRGKRZSA-N 0 0 320.455 0.115 10 0 DCAERN COC(=O)c1cn(CN2CCC(NC(=O)C3CC3)CC2)nn1 ZINC000042096350 669826026 /nfs/dbraw/zinc/82/60/26/669826026.db2.gz RSKGAVZRTHJFEZ-UHFFFAOYSA-N 0 0 307.354 0.013 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155555703 669833813 /nfs/dbraw/zinc/83/38/13/669833813.db2.gz QXIKZCJDPUMLAR-ZIAGYGMSSA-N 0 0 306.362 0.808 10 0 DCAERN C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000157350044 669921976 /nfs/dbraw/zinc/92/19/76/669921976.db2.gz JUWMNXYDSQURIM-DGCLKSJQSA-N 0 0 304.346 0.761 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159011928 669932063 /nfs/dbraw/zinc/93/20/63/669932063.db2.gz KSKCRFJQAOFHKM-CHWSQXEVSA-N 0 0 305.334 0.896 10 0 DCAERN C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccn1 ZINC000078346006 670006868 /nfs/dbraw/zinc/00/68/68/670006868.db2.gz IGIHKFGKMDCCOO-WSKFYRRCSA-N 0 0 314.345 0.370 10 0 DCAERN CO[C@H]1CCC[C@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075477540 670014285 /nfs/dbraw/zinc/01/42/85/670014285.db2.gz BEXORTBSVWUYTG-QWRGUYRKSA-N 0 0 320.349 0.631 10 0 DCAERN CO[C@@H]1CCC[C@@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075477542 670014473 /nfs/dbraw/zinc/01/44/73/670014473.db2.gz BEXORTBSVWUYTG-GHMZBOCLSA-N 0 0 320.349 0.631 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OC[C@H]1CCCCO1)c2=O ZINC000078390397 670017869 /nfs/dbraw/zinc/01/78/69/670017869.db2.gz AGJPXIFVNDXDNK-SNVBAGLBSA-N 0 0 306.322 0.242 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000191425747 670022694 /nfs/dbraw/zinc/02/26/94/670022694.db2.gz DQKIQCGAAIDZMU-GFCCVEGCSA-N 0 0 301.268 0.994 10 0 DCAERN COC(=O)c1cn(CN2CCN(Cc3cc(C)on3)CC2)nn1 ZINC000075666153 670040727 /nfs/dbraw/zinc/04/07/27/670040727.db2.gz BLEDRXMRTOXNAB-UHFFFAOYSA-N 0 0 320.353 0.136 10 0 DCAERN CCN1CN(CCCCCCN2CC(=O)N(CC)C2)CC1=O ZINC000191528592 670051931 /nfs/dbraw/zinc/05/19/31/670051931.db2.gz CMSDVQJSFBQCKM-UHFFFAOYSA-N 0 0 310.442 0.790 10 0 DCAERN Cn1cc(CNCCN2CCCC2=O)c(Br)n1 ZINC000712404061 670149048 /nfs/dbraw/zinc/14/90/48/670149048.db2.gz HAVPPJZANAUOJJ-UHFFFAOYSA-N 0 0 301.188 0.895 10 0 DCAERN CN(Cc1cn(C)nc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000713872392 670171117 /nfs/dbraw/zinc/17/11/17/670171117.db2.gz NPKPJOUZXOOBDQ-VIFPVBQESA-N 0 0 322.228 0.802 10 0 DCAERN CCn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714257171 670182931 /nfs/dbraw/zinc/18/29/31/670182931.db2.gz HGEHUPKNSLPJIY-UHFFFAOYSA-N 0 0 320.802 0.041 10 0 DCAERN O=C(NCC[C@H]1CCCS1(=O)=O)c1cncc(Cl)n1 ZINC000714360449 670185301 /nfs/dbraw/zinc/18/53/01/670185301.db2.gz JKDZZNCXKJJKMR-MRVPVSSYSA-N 0 0 303.771 0.827 10 0 DCAERN Cn1cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2)c(=O)n(C)c1=O ZINC000192709396 670185533 /nfs/dbraw/zinc/18/55/33/670185533.db2.gz LRRANNKIGFYMAL-NSHDSACASA-N 0 0 320.736 0.592 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000714462487 670188864 /nfs/dbraw/zinc/18/88/64/670188864.db2.gz ORWMQPGSPVHRCG-UHFFFAOYSA-N 0 0 311.768 0.310 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CCCS1 ZINC000715939811 670226281 /nfs/dbraw/zinc/22/62/81/670226281.db2.gz AXKLVZLDEXPHDN-MNOVXSKESA-N 0 0 306.453 0.165 10 0 DCAERN Cn1cc(Br)cc1C(=O)NC1CC(C(N)=O)C1 ZINC000716775601 670272567 /nfs/dbraw/zinc/27/25/67/670272567.db2.gz XQLSKSODNVIFLK-UHFFFAOYSA-N 0 0 300.156 0.781 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000716854661 670273431 /nfs/dbraw/zinc/27/34/31/670273431.db2.gz GMLKQLZDOGUATK-TUAOUCFPSA-N 0 0 306.428 0.466 10 0 DCAERN C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)C(=O)N(C)C ZINC000080911705 670392643 /nfs/dbraw/zinc/39/26/43/670392643.db2.gz XUTLOHGKRGUHLA-SNVBAGLBSA-N 0 0 312.801 0.760 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2[nH]nnc2C)ncn1 ZINC000194224024 670413615 /nfs/dbraw/zinc/41/36/15/670413615.db2.gz YSCNJVJKUKGZRG-SNVBAGLBSA-N 0 0 316.369 0.344 10 0 DCAERN CCc1noc([C@H](C)N2CCN(CN3CCCC3=O)CC2)n1 ZINC000113245593 670698940 /nfs/dbraw/zinc/69/89/40/670698940.db2.gz JSCCFVJSOQIZRT-LBPRGKRZSA-N 0 0 307.398 0.891 10 0 DCAERN CCc1nc(CNC(=O)NCCS(=O)(=O)CC)cs1 ZINC000107747096 670707972 /nfs/dbraw/zinc/70/79/72/670707972.db2.gz PYZYJDNGWMPXFJ-UHFFFAOYSA-N 0 0 305.425 0.939 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)c1cccc(O)c1 ZINC000824215485 671423930 /nfs/dbraw/zinc/42/39/30/671423930.db2.gz RRGFEGZKHLXFBG-ZLKJLUDKSA-N 0 0 302.334 0.532 10 0 DCAERN C[C@H]1CC[C@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)O1 ZINC000398075542 1158113390 /nfs/dbraw/zinc/11/33/90/1158113390.db2.gz INXZNLXMLLKURQ-DTWKUNHWSA-N 0 0 318.420 0.622 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000101538715 671771997 /nfs/dbraw/zinc/77/19/97/671771997.db2.gz SIJQTKMVNZIUHG-LLVKDONJSA-N 0 0 309.370 0.403 10 0 DCAERN CCOC(=O)CN(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C1CC1 ZINC000102392656 671821875 /nfs/dbraw/zinc/82/18/75/671821875.db2.gz KBYIAZZUMJRGEF-STQMWFEESA-N 0 0 306.362 0.923 10 0 DCAERN Cc1ncc(CN2CCN(CCS(C)(=O)=O)CC2)s1 ZINC000105902357 672247894 /nfs/dbraw/zinc/24/78/94/672247894.db2.gz FJDJXXYKRCXGRC-UHFFFAOYSA-N 0 0 303.453 0.614 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@@H]2CCCCC2(F)F)cn1 ZINC000391049626 685261520 /nfs/dbraw/zinc/26/15/20/685261520.db2.gz WXVFGWKURUXRMH-QMMMGPOBSA-N 0 0 306.338 0.993 10 0 DCAERN Cn1cc(Br)c(CNc2nc(N)nc(C3CC3)n2)n1 ZINC000393621105 685264606 /nfs/dbraw/zinc/26/46/06/685264606.db2.gz QBXHINPEPOUJNT-UHFFFAOYSA-N 0 0 324.186 0.692 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CSC2)C1 ZINC000718450079 685305175 /nfs/dbraw/zinc/30/51/75/685305175.db2.gz VCIIYZUIHFOPEH-KOLCDFICSA-N 0 0 316.423 0.693 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)no1 ZINC000719051055 685307907 /nfs/dbraw/zinc/30/79/07/685307907.db2.gz PEOWDLREZWVWHR-JTQLQIEISA-N 0 0 302.352 0.508 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CCC(=O)NC2)c(Br)n1 ZINC000720081427 685311567 /nfs/dbraw/zinc/31/15/67/685311567.db2.gz RUPGBVASPCHWDV-SSDOTTSWSA-N 0 0 315.171 0.325 10 0 DCAERN COC(C)(C)[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000720088058 685312572 /nfs/dbraw/zinc/31/25/72/685312572.db2.gz MECBVMZRCJOWBA-QMMMGPOBSA-N 0 0 320.436 0.868 10 0 DCAERN Cn1cc(CNC(=O)N[C@@H]2CCOC2)c(Br)n1 ZINC000720102279 685312724 /nfs/dbraw/zinc/31/27/24/685312724.db2.gz XQJXWGZOGDFHRR-MRVPVSSYSA-N 0 0 303.160 0.771 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000720485504 685313136 /nfs/dbraw/zinc/31/31/36/685313136.db2.gz VNOJSRLWNKTLHO-QWRGUYRKSA-N 0 0 316.452 0.576 10 0 DCAERN CNC(=O)c1cc(NCc2cn(C)nc2Br)ccn1 ZINC000720683934 685314358 /nfs/dbraw/zinc/31/43/58/685314358.db2.gz YBRXALKLKCVECK-UHFFFAOYSA-N 0 0 324.182 0.971 10 0 DCAERN CCC[C@H](NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OCC ZINC000720874928 685316689 /nfs/dbraw/zinc/31/66/89/685316689.db2.gz RABHHWOUEQGSHV-AAEUAGOBSA-N 0 0 307.412 0.512 10 0 DCAERN CO[C@]1(CNC(=O)N2CCC[C@H](C)C2)CCS(=O)(=O)C1 ZINC000720916320 685316912 /nfs/dbraw/zinc/31/69/12/685316912.db2.gz ZEDICQHCRMTMJQ-AAEUAGOBSA-N 0 0 304.412 0.632 10 0 DCAERN CO[C@]1(CNc2ccc([C@H](C)O)cn2)CCS(=O)(=O)C1 ZINC000721187757 685317505 /nfs/dbraw/zinc/31/75/05/685317505.db2.gz SITPVUFRTKCTBS-GWCFXTLKSA-N 0 0 300.380 0.751 10 0 DCAERN CC(=O)[C@@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000722084227 685319205 /nfs/dbraw/zinc/31/92/05/685319205.db2.gz ZDLHEGSQAUWHEW-NEPJUHHUSA-N 0 0 319.448 0.734 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccc(Cl)s1 ZINC000725006058 685319439 /nfs/dbraw/zinc/31/94/39/685319439.db2.gz MQVANTDSJZDOSH-VIFPVBQESA-N 0 0 322.839 0.794 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)[C@H](CO)C2)c1C ZINC000722576163 685319694 /nfs/dbraw/zinc/31/96/94/685319694.db2.gz DADLBPMZCAZFAI-QWRGUYRKSA-N 0 0 305.421 0.647 10 0 DCAERN CC(C)C[C@H]1CCCN1C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725005303 685319720 /nfs/dbraw/zinc/31/97/20/685319720.db2.gz IYRRYYCSFWJMDH-CHWSQXEVSA-N 0 0 302.440 0.800 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1cccc(OC(F)(F)F)c1 ZINC000722503732 685319781 /nfs/dbraw/zinc/31/97/81/685319781.db2.gz YRPVBGFTIFUXBF-ZETCQYMHSA-N 0 0 312.269 0.767 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@H]3CCCCNC3=O)nc2n1 ZINC000077280146 685080102 /nfs/dbraw/zinc/08/01/02/685080102.db2.gz YNNBAKCTOWQGCR-NSHDSACASA-N 0 0 316.365 0.069 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)c1cc(C(N)=O)cn1C ZINC000088375661 685092104 /nfs/dbraw/zinc/09/21/04/685092104.db2.gz WQBKOEJATQPNSX-AWEZNQCLSA-N 0 0 301.346 0.896 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091238772 685104098 /nfs/dbraw/zinc/10/40/98/685104098.db2.gz MCNXJZVMVJOGKD-BDAKNGLRSA-N 0 0 324.768 0.834 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@H]1Cn1ccnc1)N1CCOCC1 ZINC000177394619 685146623 /nfs/dbraw/zinc/14/66/23/685146623.db2.gz SJYUOCWZRVSTMZ-CABCVRRESA-N 0 0 321.425 0.778 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245417124 685156177 /nfs/dbraw/zinc/15/61/77/685156177.db2.gz JKIMWKNJOHLXAI-GDBMZVCRSA-N 0 0 322.409 0.426 10 0 DCAERN CO[C@H](C)COC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000245926200 685159747 /nfs/dbraw/zinc/15/97/47/685159747.db2.gz IJMBXSRWRBAPQN-QKCSRTOESA-N 0 0 309.366 0.908 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@@H](C(N)=O)O1 ZINC000246562252 685164981 /nfs/dbraw/zinc/16/49/81/685164981.db2.gz RIRHYDRCQIVIHY-BNOWGMLFSA-N 0 0 303.362 0.492 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081232 685169250 /nfs/dbraw/zinc/16/92/50/685169250.db2.gz HUYNSEVYAIVQEH-LSDHHAIUSA-N 0 0 316.405 0.956 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174777 685170329 /nfs/dbraw/zinc/17/03/29/685170329.db2.gz RKYLTFITBHIGKE-QWHCGFSZSA-N 0 0 318.826 0.997 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)N[C@H](C)C[S@](C)=O ZINC000248441778 685174792 /nfs/dbraw/zinc/17/47/92/685174792.db2.gz DSCFCMADLNKVIC-VPOQAHPWSA-N 0 0 314.407 0.795 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)C[S@](C)=O ZINC000248441775 685174933 /nfs/dbraw/zinc/17/49/33/685174933.db2.gz DSCFCMADLNKVIC-ANFZBRINSA-N 0 0 314.407 0.795 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000249259531 685178376 /nfs/dbraw/zinc/17/83/76/685178376.db2.gz HUJCXIJKXZJMMX-OLZOCXBDSA-N 0 0 308.382 0.837 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)ncn1 ZINC000249280598 685179018 /nfs/dbraw/zinc/17/90/18/685179018.db2.gz MNWQJKYCTOKBBF-GHMZBOCLSA-N 0 0 314.336 0.908 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1ncccc1Br ZINC000385716319 685247250 /nfs/dbraw/zinc/24/72/50/685247250.db2.gz LYPVGSDBNKVXDI-GZMMTYOYSA-N 0 0 315.167 0.952 10 0 DCAERN Cn1ncc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1Br ZINC000386584194 685250227 /nfs/dbraw/zinc/25/02/27/685250227.db2.gz BCSCGZUPZNAGAB-ZETCQYMHSA-N 0 0 315.171 0.533 10 0 DCAERN CNS(=O)(=O)CCNC(=O)/C=C(/C)c1ccc(OC)cc1 ZINC000056635997 1157926046 /nfs/dbraw/zinc/92/60/46/1157926046.db2.gz QETFPWAEYCSWSA-KHPPLWFESA-N 0 0 312.391 0.764 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000040220632 1157996245 /nfs/dbraw/zinc/99/62/45/1157996245.db2.gz UKYUAZNXBFOCRF-UHFFFAOYSA-N 0 0 302.331 0.179 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)NCCCc1c[nH]nc1C ZINC000050183390 1171718281 /nfs/dbraw/zinc/71/82/81/1171718281.db2.gz LBZCOCHAUKBBTE-NSHDSACASA-N 0 0 313.427 0.557 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)Cn2nnc3ccccc32)n1 ZINC000067836747 1173779333 /nfs/dbraw/zinc/77/93/33/1173779333.db2.gz NGTOKJNPMNQFFY-UHFFFAOYSA-N 0 0 314.305 0.440 10 0 DCAERN C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1c[nH]cn1 ZINC000087888034 1175227086 /nfs/dbraw/zinc/22/70/86/1175227086.db2.gz KOJTXRDMENFYAS-VIFPVBQESA-N 0 0 306.347 0.941 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1csc(-c2ccco2)n1 ZINC000089754347 1175343484 /nfs/dbraw/zinc/34/34/84/1175343484.db2.gz ZKJNFJHIEVGDQJ-ZETCQYMHSA-N 0 0 305.315 0.938 10 0 DCAERN CCNc1ncc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1Cl ZINC000090020864 1175371161 /nfs/dbraw/zinc/37/11/61/1175371161.db2.gz DHFXNDOTPYXZMX-SECBINFHSA-N 0 0 310.741 0.702 10 0 DCAERN C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](O)CO ZINC000090280283 1175391159 /nfs/dbraw/zinc/39/11/59/1175391159.db2.gz IEEUDVLTNHAOOM-WCBMZHEXSA-N 0 0 318.167 0.686 10 0 DCAERN COCCCNC(=O)Cn1cnc(C)c(Br)c1=O ZINC000090766660 1175433483 /nfs/dbraw/zinc/43/34/83/1175433483.db2.gz USDYUMKTJNJZGW-UHFFFAOYSA-N 0 0 318.171 0.467 10 0 DCAERN Cc1ncn(CC(=O)N(C)C2CC2)c(=O)c1Br ZINC000090767229 1175433859 /nfs/dbraw/zinc/43/38/59/1175433859.db2.gz GFOAVUMADNINIK-UHFFFAOYSA-N 0 0 300.156 0.935 10 0 DCAERN CS(=O)(=O)C1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000096368557 1175875094 /nfs/dbraw/zinc/87/50/94/1175875094.db2.gz NLFICGYXQVJETH-UHFFFAOYSA-N 0 0 322.390 0.467 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCC(OC)CC1 ZINC000136426531 1177533098 /nfs/dbraw/zinc/53/30/98/1177533098.db2.gz OJONICWNGIEYFB-UHFFFAOYSA-N 0 0 320.392 0.729 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccn(C2CCCC2)n1 ZINC000156413875 1180557313 /nfs/dbraw/zinc/55/73/13/1180557313.db2.gz RCUJPSKMVRCXOR-LBPRGKRZSA-N 0 0 319.365 0.603 10 0 DCAERN CCOCCCNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000170335813 1183656901 /nfs/dbraw/zinc/65/69/01/1183656901.db2.gz GEAFOXDHCIEZMA-GFCCVEGCSA-N 0 0 322.361 0.485 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)NCCNS(C)(=O)=O)cc1 ZINC000255019969 1183658825 /nfs/dbraw/zinc/65/88/25/1183658825.db2.gz JHAYBUPDVJEKFC-KHPPLWFESA-N 0 0 312.391 0.764 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000175908748 1184119543 /nfs/dbraw/zinc/11/95/43/1184119543.db2.gz VSLJIUWLZRUNDD-UHFFFAOYSA-N 0 0 323.378 0.487 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000176990945 1184225538 /nfs/dbraw/zinc/22/55/38/1184225538.db2.gz KDVGKKSFRAIHJK-GFCCVEGCSA-N 0 0 320.436 0.353 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)Cn1nnc2ccccc21 ZINC000179053945 1185160833 /nfs/dbraw/zinc/16/08/33/1185160833.db2.gz HKQRMKAODMDVGF-UHFFFAOYSA-N 0 0 324.406 0.713 10 0 DCAERN Cc1cccn(CC(=O)NCCCNC(=O)C2CCC2)c1=O ZINC000181502701 1185181567 /nfs/dbraw/zinc/18/15/67/1185181567.db2.gz ALDAZJXWEURRFA-UHFFFAOYSA-N 0 0 305.378 0.579 10 0 DCAERN CN(Cc1csc(CS(C)(=O)=O)n1)CC1(CO)CC1 ZINC000186764561 1187417612 /nfs/dbraw/zinc/41/76/12/1187417612.db2.gz PCZPMUVZAYWWPS-UHFFFAOYSA-N 0 0 304.437 0.892 10 0 DCAERN CCN1CCN(C(=O)Cn2nnc3ccccc32)C(C)(C)C1=O ZINC000188159511 1187602806 /nfs/dbraw/zinc/60/28/06/1187602806.db2.gz UQYUKAKNFGBECQ-UHFFFAOYSA-N 0 0 315.377 0.901 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(F)cc1C ZINC000189050262 1187863713 /nfs/dbraw/zinc/86/37/13/1187863713.db2.gz NKRVPGBMMKKQFQ-ZDUSSCGKSA-N 0 0 315.366 0.906 10 0 DCAERN NC(=O)C[C@@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000190060998 1187954190 /nfs/dbraw/zinc/95/41/90/1187954190.db2.gz QYQAIRCIHPXAAR-VIFPVBQESA-N 0 0 315.333 0.046 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1F)c1c[nH]c(=O)cn1 ZINC000193437239 1188034239 /nfs/dbraw/zinc/03/42/39/1188034239.db2.gz RAABWAGKUFOCQP-UHFFFAOYSA-N 0 0 304.281 0.069 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NC(=O)c2cccc(Cl)c2N)C1 ZINC000400303207 1189988120 /nfs/dbraw/zinc/98/81/20/1189988120.db2.gz TVIHIVQDYZNVTH-QMMMGPOBSA-N 0 0 317.798 0.686 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSC2)c(N)c1 ZINC000307895193 1190383903 /nfs/dbraw/zinc/38/39/03/1190383903.db2.gz PIZXFMIOPWLKFP-MRVPVSSYSA-N 0 0 300.405 0.908 10 0 DCAERN C[C@@H](CCCO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307908969 1190385506 /nfs/dbraw/zinc/38/55/06/1190385506.db2.gz VTNKAYWGUHIMSU-VIFPVBQESA-N 0 0 300.380 0.563 10 0 DCAERN O=C(c1cccnc1Br)N1C[C@H](O)[C@H](CO)C1 ZINC000316439169 1190414702 /nfs/dbraw/zinc/41/47/02/1190414702.db2.gz DVTOPXIQRKEBHJ-CBAPKCEASA-N 0 0 301.140 0.269 10 0 DCAERN Nc1c(Cl)cccc1C(=O)NCCCCS(N)(=O)=O ZINC000389310972 1190700048 /nfs/dbraw/zinc/70/00/48/1190700048.db2.gz RBMCXVYGAQFPMW-UHFFFAOYSA-N 0 0 305.787 0.721 10 0 DCAERN CON(C)C(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000397640400 1190703427 /nfs/dbraw/zinc/70/34/27/1190703427.db2.gz OLCGZJJVZXFLHW-JTQLQIEISA-N 0 0 300.380 0.761 10 0 DCAERN C[C@H](O)[C@@H]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C1 ZINC000588411506 747254480 /nfs/dbraw/zinc/25/44/80/747254480.db2.gz WWMICVMRZGSMOK-SGMGOOAPSA-N 0 0 306.410 0.917 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccnc1F)C(=O)NC(C)(C)C ZINC000401840732 768878317 /nfs/dbraw/zinc/87/83/17/768878317.db2.gz RAJWPWFWHNHZEJ-QMMMGPOBSA-N 0 0 303.359 0.802 10 0 DCAERN CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccnc1F ZINC000401899408 774070307 /nfs/dbraw/zinc/07/03/07/774070307.db2.gz DNXBFGQEBKDSIJ-UHFFFAOYSA-N 0 0 302.327 0.937 10 0 DCAERN O=C(c1nscc1Br)N1CCCNC(=O)C1 ZINC000404851104 774143522 /nfs/dbraw/zinc/14/35/22/774143522.db2.gz SKPCHCFBHPFCTG-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405425748 774167431 /nfs/dbraw/zinc/16/74/31/774167431.db2.gz ZFHGWLZIJGQTFD-VHSXEESVSA-N 0 0 317.798 0.175 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690832417 954678202 /nfs/dbraw/zinc/67/82/02/954678202.db2.gz RTZMQJHEAAGAPW-IJLUTSLNSA-N 0 0 304.412 0.453 10 0 DCAERN CC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181261077 199273064 /nfs/dbraw/zinc/27/30/64/199273064.db2.gz VUIFGPNVZKPJLN-SNVBAGLBSA-N 0 0 317.411 0.166 10 0 DCAERN CC(=O)NCCNC(=O)c1cc(Br)ccc1N ZINC000082697790 185195724 /nfs/dbraw/zinc/19/57/24/185195724.db2.gz XDQLOMBNTODBEC-UHFFFAOYSA-N 0 0 300.156 0.897 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CCC(=O)N2CCCCC2)n1 ZINC000328638902 231273445 /nfs/dbraw/zinc/27/34/45/231273445.db2.gz WSNPDPVJWXUFAH-QWHCGFSZSA-N 0 0 308.382 0.888 10 0 DCAERN Cn1cc(CCC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cn1 ZINC000328625141 231256940 /nfs/dbraw/zinc/25/69/40/231256940.db2.gz CUBXTOXSLCVTNJ-MRXNPFEDSA-N 0 0 320.437 0.922 10 0 DCAERN CC(C)(C)OC(=O)N[C@@H](CCCN(C(N)=[NH2+])[N+](=O)[O-])C(=O)[O-] ZINC000082040938 192352886 /nfs/dbraw/zinc/35/28/86/192352886.db2.gz JPDITUQYQUMTDT-ZETCQYMHSA-N 0 0 319.318 0.132 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NC[C@@]2(O)CCSC2)s1 ZINC000081999389 192353438 /nfs/dbraw/zinc/35/34/38/192353438.db2.gz QYSHYCQTITWUGI-ZDUSSCGKSA-N 0 0 314.432 0.982 10 0 DCAERN O=S(=O)(c1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181408378 199291889 /nfs/dbraw/zinc/29/18/89/199291889.db2.gz FILJODVSXPZEID-WCBMZHEXSA-N 0 0 310.780 0.272 10 0 DCAERN CCOc1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000097000987 185396177 /nfs/dbraw/zinc/39/61/77/185396177.db2.gz NDDNERZBKHEDSX-AWEZNQCLSA-N 0 0 308.378 0.508 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@H](CC)C1)CC2 ZINC000172038906 529750961 /nfs/dbraw/zinc/75/09/61/529750961.db2.gz JDTRLTBKSLEVDH-NWDGAFQWSA-N 0 0 307.398 0.976 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547064 199314506 /nfs/dbraw/zinc/31/45/06/199314506.db2.gz MKXXNTOMRQNDGG-LLVKDONJSA-N 0 0 315.320 0.786 10 0 DCAERN Cc1nc2ccc(N(CC3CC3)C[C@H]3CN(C)CCO3)nn2n1 ZINC000286696504 219115146 /nfs/dbraw/zinc/11/51/46/219115146.db2.gz ODQGDBRKVOPHHR-CQSZACIVSA-N 0 0 316.409 0.980 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCc1cccc(C(N)=O)c1)C(C)C ZINC000178426326 529896914 /nfs/dbraw/zinc/89/69/14/529896914.db2.gz GLHHLJZFWMSOMA-ZDUSSCGKSA-N 0 0 320.393 0.398 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(C)c1)C(C)C ZINC000179077718 529918746 /nfs/dbraw/zinc/91/87/46/529918746.db2.gz ALJQTRMEYMLXHR-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@H]1C1CCC1)c2=O ZINC000102870503 185424142 /nfs/dbraw/zinc/42/41/42/185424142.db2.gz LTPBATBTMQFNJI-ZDUSSCGKSA-N 0 0 315.377 0.921 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000188437259 529941209 /nfs/dbraw/zinc/94/12/09/529941209.db2.gz CSGMNKUJSMOMIF-LBPRGKRZSA-N 0 0 320.393 0.577 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCc2ncc(C)o2)cc1 ZINC000175602831 529943932 /nfs/dbraw/zinc/94/39/32/529943932.db2.gz VULVAFBUHXXUIA-UHFFFAOYSA-N 0 0 309.347 0.821 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3nnc(CC)[nH]3)CC2)n1 ZINC000181690860 199338928 /nfs/dbraw/zinc/33/89/28/199338928.db2.gz AHYRZDZNDRRMCE-UHFFFAOYSA-N 0 0 317.397 0.878 10 0 DCAERN COC[C@H](C)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000103432686 185451472 /nfs/dbraw/zinc/45/14/72/185451472.db2.gz KIUQPKLGMUYTAS-AWEZNQCLSA-N 0 0 319.405 0.734 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](O)CC2)[C@H]1c1cccnc1 ZINC000294956336 530044858 /nfs/dbraw/zinc/04/48/58/530044858.db2.gz SGLSLERIUQIFTQ-OFQRWUPVSA-N 0 0 317.389 0.974 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000063843590 190699447 /nfs/dbraw/zinc/69/94/47/190699447.db2.gz NWXYSUIIPCRKHJ-FRRDWIJNSA-N 0 0 321.421 0.890 10 0 DCAERN CCC1(CC)CN([C@@H](C)C(=O)NC(=O)NC)CC[S@@]1=O ZINC000185255887 282377048 /nfs/dbraw/zinc/37/70/48/282377048.db2.gz QFZGXQGIKRJGSZ-WVDJIFEKSA-N 0 0 303.428 0.454 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCC1(O)CCCC1 ZINC000234611769 201906618 /nfs/dbraw/zinc/90/66/18/201906618.db2.gz AFVMONAWQLDLBN-GHMZBOCLSA-N 0 0 305.396 0.553 10 0 DCAERN COc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1C ZINC000074853330 545673541 /nfs/dbraw/zinc/67/35/41/545673541.db2.gz IOCXTRQWMBNFGJ-NSHDSACASA-N 0 0 312.391 0.869 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)N1CCCCC1 ZINC000083701127 192379185 /nfs/dbraw/zinc/37/91/85/192379185.db2.gz QVRPORYCUCTEMB-LBPRGKRZSA-N 0 0 320.397 0.733 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)CC2 ZINC000150713102 186059135 /nfs/dbraw/zinc/05/91/35/186059135.db2.gz SFYFHZOEBSCSMJ-QWRGUYRKSA-N 0 0 305.382 0.311 10 0 DCAERN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000171074100 197875160 /nfs/dbraw/zinc/87/51/60/197875160.db2.gz ZXAMDBPLDLUZEU-GWCFXTLKSA-N 0 0 312.391 0.750 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC000171468306 186164500 /nfs/dbraw/zinc/16/45/00/186164500.db2.gz IYYHDEOYQWFZAI-OLZOCXBDSA-N 0 0 305.382 0.935 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(=O)NC(C)C ZINC000175624867 186181644 /nfs/dbraw/zinc/18/16/44/186181644.db2.gz KDNCVMUHMGWXNS-CYBMUJFWSA-N 0 0 307.398 0.890 10 0 DCAERN COC(=O)c1cc2cc(CN3CCOC[C@@H]3C(N)=O)ccc2o1 ZINC000179728683 186210593 /nfs/dbraw/zinc/21/05/93/186210593.db2.gz FOHULUWXWVJBBK-GFCCVEGCSA-N 0 0 318.329 0.906 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1Cl ZINC000179685973 186205185 /nfs/dbraw/zinc/20/51/85/186205185.db2.gz RFSOVFJJYSJGBU-VIFPVBQESA-N 0 0 304.755 0.215 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000172316248 198078687 /nfs/dbraw/zinc/07/86/87/198078687.db2.gz SYGFTCYIKAMYNA-DGCLKSJQSA-N 0 0 310.375 0.140 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)NC[C@H]1CN(C)CCO1)CC2 ZINC000172308430 198077163 /nfs/dbraw/zinc/07/71/63/198077163.db2.gz XKULZMMPDPMVMI-AWEZNQCLSA-N 0 0 317.389 0.331 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCS1(=O)=O ZINC000172371051 198087304 /nfs/dbraw/zinc/08/73/04/198087304.db2.gz CCCGFYWXQIHLBH-JTQLQIEISA-N 0 0 321.358 0.996 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421501 198094954 /nfs/dbraw/zinc/09/49/54/198094954.db2.gz UUGPUGOCEOMODX-SECBINFHSA-N 0 0 312.395 0.668 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccn2)cn1 ZINC000172540065 198112468 /nfs/dbraw/zinc/11/24/68/198112468.db2.gz JPVLUJVEJWQKQA-AWEZNQCLSA-N 0 0 313.361 0.909 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)CCO2)[nH]1 ZINC000173582309 198230067 /nfs/dbraw/zinc/23/00/67/198230067.db2.gz ORLKAEGISIMZKR-JTQLQIEISA-N 0 0 303.322 0.681 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)no1 ZINC000173546137 198225388 /nfs/dbraw/zinc/22/53/88/198225388.db2.gz LPKANJRAXIFZLG-LBPRGKRZSA-N 0 0 321.381 0.826 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC[C@@H](C)O)C2=O)n(C)n1 ZINC000173565962 198227905 /nfs/dbraw/zinc/22/79/05/198227905.db2.gz UXTIMMVNJJKOSO-VXGBXAGGSA-N 0 0 323.397 0.294 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CCn3cccn3)CCO2)[nH]1 ZINC000173565953 198228205 /nfs/dbraw/zinc/22/82/05/198228205.db2.gz GXGKUSVUANYCFE-LLVKDONJSA-N 0 0 304.354 0.554 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCC([C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727124 198244682 /nfs/dbraw/zinc/24/46/82/198244682.db2.gz BZRZQHBOECUEOK-OCCSQVGLSA-N 0 0 306.410 0.927 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)c1cccnc1 ZINC000173951995 198272170 /nfs/dbraw/zinc/27/21/70/198272170.db2.gz XFIAJAKJAZQIFR-GFCCVEGCSA-N 0 0 313.423 0.973 10 0 DCAERN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)OC ZINC000175760647 198507464 /nfs/dbraw/zinc/50/74/64/198507464.db2.gz SJPBXWUCEBUWFJ-JGVFFNPUSA-N 0 0 310.272 0.465 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000333113609 295876056 /nfs/dbraw/zinc/87/60/56/295876056.db2.gz YCJBRDVVTCIGQU-STQMWFEESA-N 0 0 320.397 0.229 10 0 DCAERN C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)[C@H]1CCCO1 ZINC000073720034 191345868 /nfs/dbraw/zinc/34/58/68/191345868.db2.gz KHULXXMGCHRIIW-GXFFZTMASA-N 0 0 306.366 0.416 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000074854051 191372798 /nfs/dbraw/zinc/37/27/98/191372798.db2.gz CIRPSZZUPFQNRY-TZMCWYRMSA-N 0 0 307.398 0.819 10 0 DCAERN COC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000179435762 291067120 /nfs/dbraw/zinc/06/71/20/291067120.db2.gz NIZQQRRWWHYOPJ-IUODEOHRSA-N 0 0 322.336 0.977 10 0 DCAERN CC(=O)OCCOCn1cnc2c1nc(NC=O)nc2Cl ZINC000077270150 191684083 /nfs/dbraw/zinc/68/40/83/191684083.db2.gz NPPBJPXEAAUVRS-UHFFFAOYSA-N 0 0 313.701 0.585 10 0 in-vitro DCAERN C[C@H](CO)[C@H](C)NC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000077782797 191774705 /nfs/dbraw/zinc/77/47/05/191774705.db2.gz MKBIJDJJJRWMQZ-OLZOCXBDSA-N 0 0 307.394 0.961 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cccs1 ZINC000177312205 198701331 /nfs/dbraw/zinc/70/13/31/198701331.db2.gz CIJVZIJUIKDQMV-JTQLQIEISA-N 0 0 320.436 0.881 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177536594 198740680 /nfs/dbraw/zinc/74/06/80/198740680.db2.gz RJDSYVCPBTULNW-CHWSQXEVSA-N 0 0 315.381 0.664 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)N[C@@H]1C=C[C@H](CO)C1 ZINC000081475669 192273495 /nfs/dbraw/zinc/27/34/95/192273495.db2.gz BDKBTCBRALNNHD-GXTWGEPZSA-N 0 0 303.362 0.653 10 0 DCAERN Cc1c(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cnn1C ZINC000179335350 199017118 /nfs/dbraw/zinc/01/71/18/199017118.db2.gz WRZYENPRHKXHQC-DOMZBBRYSA-N 0 0 321.425 0.591 10 0 DCAERN CCn1c(C)nnc1CSCc1cc(=O)n(C)c(=O)n1C ZINC000179809210 199083416 /nfs/dbraw/zinc/08/34/16/199083416.db2.gz IUGIQBMAWYRFLK-UHFFFAOYSA-N 0 0 309.395 0.437 10 0 DCAERN CCc1nnc(CN[C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180053468 199112339 /nfs/dbraw/zinc/11/23/39/199112339.db2.gz KJLWLJNEOXACLL-AWEZNQCLSA-N 0 0 309.414 0.351 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180577749 199178418 /nfs/dbraw/zinc/17/84/18/199178418.db2.gz FKSRUMRQNUPXAO-LBPRGKRZSA-N 0 0 317.349 0.543 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000151616528 237000654 /nfs/dbraw/zinc/00/06/54/237000654.db2.gz MGOFXYXYVBSKNV-ZDUSSCGKSA-N 0 0 301.346 0.630 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000156855490 237056158 /nfs/dbraw/zinc/05/61/58/237056158.db2.gz VNKZCNVNLQZOHA-BXKDBHETSA-N 0 0 324.299 0.007 10 0 DCAERN C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CCS1 ZINC000171574218 237135698 /nfs/dbraw/zinc/13/56/98/237135698.db2.gz XGJCGHYAHATOOH-JTQLQIEISA-N 0 0 306.453 0.622 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000176188569 237192214 /nfs/dbraw/zinc/19/22/14/237192214.db2.gz MMWCOESEXRGYML-UHFFFAOYSA-N 0 0 314.345 0.195 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@@H]3CCC[C@@H]31)c2=O ZINC000174285513 237170921 /nfs/dbraw/zinc/17/09/21/237170921.db2.gz NTJYFSHOZZPYLU-AAEUAGOBSA-N 0 0 315.377 0.921 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1C[C@@H]3CCCC[C@@H]3C1)c2=O ZINC000178269524 237223505 /nfs/dbraw/zinc/22/35/05/237223505.db2.gz BYAWBMGNMVWRBI-TXEJJXNPSA-N 0 0 315.377 0.779 10 0 DCAERN O=C(c1ncncc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000176514487 237199282 /nfs/dbraw/zinc/19/92/82/237199282.db2.gz ISFQBXPVVRVIMW-LLVKDONJSA-N 0 0 324.768 0.593 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@H](OCCO)C1 ZINC000178640472 237235228 /nfs/dbraw/zinc/23/52/28/237235228.db2.gz FXHQEEWSWCJQJM-GFCCVEGCSA-N 0 0 319.361 0.330 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@H](OCCO)C1 ZINC000187557027 200127200 /nfs/dbraw/zinc/12/72/00/200127200.db2.gz IYMGUEXIKZMQTI-AWEZNQCLSA-N 0 0 324.425 0.762 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000186827556 237323850 /nfs/dbraw/zinc/32/38/50/237323850.db2.gz ATCIYERAPVTROJ-SNVBAGLBSA-N 0 0 302.334 0.019 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCN1CCO ZINC000187692190 237355756 /nfs/dbraw/zinc/35/57/56/237355756.db2.gz NCINJSNBQBBJCP-CQSZACIVSA-N 0 0 303.406 0.574 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@@H](CO)O1 ZINC000187951329 200181319 /nfs/dbraw/zinc/18/13/19/200181319.db2.gz ASPBDRUNZKTJRH-MNOVXSKESA-N 0 0 311.382 0.908 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188773655 237380000 /nfs/dbraw/zinc/38/00/00/237380000.db2.gz MQVGSFLTYLXQJB-GFCCVEGCSA-N 0 0 320.393 0.624 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188692674 200289342 /nfs/dbraw/zinc/28/93/42/200289342.db2.gz YYWDNXDHZWHUEG-LBPRGKRZSA-N 0 0 309.410 0.867 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CCN1CCO ZINC000188729049 200296138 /nfs/dbraw/zinc/29/61/38/200296138.db2.gz KKCGXHPQOWPCQV-NSHDSACASA-N 0 0 302.371 0.513 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(-n2ccnn2)cc1 ZINC000154010642 291210242 /nfs/dbraw/zinc/21/02/42/291210242.db2.gz XDLDPWVLJURITM-SNVBAGLBSA-N 0 0 310.317 0.842 10 0 DCAERN COc1ccccc1NC(=O)Cn1nnc2c(cnn2C)c1=O ZINC000154404616 291213784 /nfs/dbraw/zinc/21/37/84/291213784.db2.gz CNHWKBUZQONAAK-UHFFFAOYSA-N 0 0 314.305 0.172 10 0 DCAERN CC(C)[C@@H](O)CC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000156489280 291225087 /nfs/dbraw/zinc/22/50/87/291225087.db2.gz WOPDNCUSUBZRNJ-AWEZNQCLSA-N 0 0 321.425 0.122 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000157164479 291227266 /nfs/dbraw/zinc/22/72/66/291227266.db2.gz TVWGCIKACWWHIM-CYBMUJFWSA-N 0 0 318.377 0.783 10 0 DCAERN COCCc1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)n(C)n1 ZINC000156827160 291226446 /nfs/dbraw/zinc/22/64/46/291226446.db2.gz WTVLXXKSOFBBFG-SNVBAGLBSA-N 0 0 320.349 0.959 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCCCCC2)CCS1(=O)=O ZINC000159199825 291234397 /nfs/dbraw/zinc/23/43/97/291234397.db2.gz GPDKQMZZRDAYKO-NSHDSACASA-N 0 0 310.441 0.226 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000271920077 209324576 /nfs/dbraw/zinc/32/45/76/209324576.db2.gz KDNTWUUOLDIOIR-GGZOMVNGSA-N 0 0 318.381 0.584 10 0 DCAERN CCC(C)(C)NC(=O)CN(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000161641357 291242309 /nfs/dbraw/zinc/24/23/09/291242309.db2.gz JMZCNWMSOCFTEL-LBPRGKRZSA-N 0 0 320.455 0.427 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000163025621 291245925 /nfs/dbraw/zinc/24/59/25/291245925.db2.gz BFDGIEJBAPYMQZ-RISCZKNCSA-N 0 0 306.362 0.683 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCc2c(Cl)cccc2C1 ZINC000162983925 291245932 /nfs/dbraw/zinc/24/59/32/291245932.db2.gz FKVUNIHMBFDSIP-NSHDSACASA-N 0 0 307.737 0.823 10 0 DCAERN Cn1ccc(NC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)n1 ZINC000275680231 238309367 /nfs/dbraw/zinc/30/93/67/238309367.db2.gz MARMKKSNXICIJD-CYBMUJFWSA-N 0 0 307.398 0.995 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000347090234 283749146 /nfs/dbraw/zinc/74/91/46/283749146.db2.gz IWBDLWPOYBENKS-TUUUFIMRSA-N 0 0 323.393 0.590 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000566713589 291319683 /nfs/dbraw/zinc/31/96/83/291319683.db2.gz HFWBKZPEKGZGBE-TZMCWYRMSA-N 0 0 318.439 0.843 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@@H]1C(N)=O)C(=O)c1cccc(F)c1 ZINC000091778635 193106186 /nfs/dbraw/zinc/10/61/86/193106186.db2.gz IRLMQPYFDDRLFG-GXFFZTMASA-N 0 0 322.336 0.747 10 0 DCAERN CC(C)c1ccc(OCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091785061 193107475 /nfs/dbraw/zinc/10/74/75/193107475.db2.gz PASJRXOVHSKAPT-CQSZACIVSA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCn1ccc2ccccc21 ZINC000091783934 193107946 /nfs/dbraw/zinc/10/79/46/193107946.db2.gz VHZHTLVPKXLMOR-CQSZACIVSA-N 0 0 301.346 0.744 10 0 DCAERN COCCN1CCN(Cc2cnn(C)c2C(F)(F)F)CC1=O ZINC000091831815 193114841 /nfs/dbraw/zinc/11/48/41/193114841.db2.gz BMHMPYYBYWDHJP-UHFFFAOYSA-N 0 0 320.315 0.730 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000192619453 283871872 /nfs/dbraw/zinc/87/18/72/283871872.db2.gz GDZIRMROEOYGID-RDBSUJKOSA-N 0 0 312.410 0.755 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000175618277 296086641 /nfs/dbraw/zinc/08/66/41/296086641.db2.gz YKRCGHUYZXLPND-VXGBXAGGSA-N 0 0 322.413 0.165 10 0 DCAERN O=C(NCCOc1cccc(F)c1)NC[C@@H](O)Cn1ccnn1 ZINC000457821971 241039795 /nfs/dbraw/zinc/03/97/95/241039795.db2.gz MZQFDHYWWHUCNJ-GFCCVEGCSA-N 0 0 323.328 0.156 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000252890367 291362686 /nfs/dbraw/zinc/36/26/86/291362686.db2.gz HOWILNAFMJVSTG-VXGBXAGGSA-N 0 0 304.412 0.991 10 0 DCAERN CN(CCCO)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000567833904 291382615 /nfs/dbraw/zinc/38/26/15/291382615.db2.gz RXJFAQDJAOETAH-UHFFFAOYSA-N 0 0 312.391 0.540 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000375439786 291382006 /nfs/dbraw/zinc/38/20/06/291382006.db2.gz VBRVSWKOLFHVLW-MBNYWOFBSA-N 0 0 317.407 0.770 10 0 DCAERN CCC[C@](C)(NC(=O)[C@H](NC(N)=O)[C@H](C)CC)C(=O)OC ZINC000252372856 284009866 /nfs/dbraw/zinc/00/98/66/284009866.db2.gz MFNKGBJBIGKUMT-RULNRJAQSA-N 0 0 301.387 0.917 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000366076462 284017657 /nfs/dbraw/zinc/01/76/57/284017657.db2.gz HLJKBSFBEJTZQI-XHBSWPGZSA-N 0 0 308.378 0.704 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000275208992 212197495 /nfs/dbraw/zinc/19/74/95/212197495.db2.gz FTZHHLAWXQLPBC-CYBMUJFWSA-N 0 0 317.393 0.718 10 0 DCAERN Cc1cc(C)c(NC(=O)CN2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000092230354 193177694 /nfs/dbraw/zinc/17/76/94/193177694.db2.gz NYJDVZJJUNTCEL-ZDUSSCGKSA-N 0 0 305.378 0.736 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000408078106 291442282 /nfs/dbraw/zinc/44/22/82/291442282.db2.gz ATZNLJOQCWZLTQ-OUAUKWLOSA-N 0 0 303.380 0.079 10 0 DCAERN CO[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[C@@H]1C ZINC000187659532 261123908 /nfs/dbraw/zinc/12/39/08/261123908.db2.gz ZJOPCNOGWUNWHG-SDDRHHMPSA-N 0 0 304.412 0.630 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408040594 296133963 /nfs/dbraw/zinc/13/39/63/296133963.db2.gz CGKOVUOXGNMSSL-UFBFGSQYSA-N 0 0 318.299 0.825 10 0 DCAERN COC(=O)[C@H](C)Oc1ccc(CN2CCNC(=O)CC2)cc1 ZINC000093101921 193203015 /nfs/dbraw/zinc/20/30/15/193203015.db2.gz KQOLVPIMYPKPMB-LBPRGKRZSA-N 0 0 306.362 0.949 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN(C)CC2)C1 ZINC000093170425 193210467 /nfs/dbraw/zinc/21/04/67/193210467.db2.gz XJTLNLPXNDLKEZ-CQSZACIVSA-N 0 0 310.442 0.141 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCC([C@@H](C)O)CC2)n(C)n1 ZINC000093209493 193216685 /nfs/dbraw/zinc/21/66/85/193216685.db2.gz HWPFHCPSTHQPAZ-LLVKDONJSA-N 0 0 322.409 0.931 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@@H](C)c2nccn2C)[C@H](C)C1 ZINC000569878212 291500412 /nfs/dbraw/zinc/50/04/12/291500412.db2.gz AEHSBQMUPTXGGG-NEPJUHHUSA-N 0 0 308.382 0.577 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000264773288 204144432 /nfs/dbraw/zinc/14/44/32/204144432.db2.gz OMCHEEUCURIRMZ-RYUDHWBXSA-N 0 0 305.382 0.482 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000282652424 217154229 /nfs/dbraw/zinc/15/42/29/217154229.db2.gz UUBDQMHFNLNXIR-GMSGAONNSA-N 0 0 304.318 0.910 10 0 DCAERN CSC1(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000571971517 291541602 /nfs/dbraw/zinc/54/16/02/291541602.db2.gz DNBNPUDSBUMNRW-SNVBAGLBSA-N 0 0 308.407 0.927 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1C ZINC000408321185 284360681 /nfs/dbraw/zinc/36/06/81/284360681.db2.gz QHJLOMQFKZSKHU-KCJUWKMLSA-N 0 0 307.350 0.658 10 0 DCAERN CN1CC[C@H](NC(=O)c2ncsc2Br)C1=O ZINC000288406517 220136564 /nfs/dbraw/zinc/13/65/64/220136564.db2.gz IJUUYMOHPNPZOM-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ncccn2)C1=O ZINC000572335376 291562143 /nfs/dbraw/zinc/56/21/43/291562143.db2.gz WJIYTUTWRFIPEV-AWEZNQCLSA-N 0 0 300.322 0.567 10 0 DCAERN COc1ccc(N2C(=O)S[C@H](CC(=O)NCCO)C2=O)cc1 ZINC000016905673 182064453 /nfs/dbraw/zinc/06/44/53/182064453.db2.gz RWTCXCQRXVFXCW-LLVKDONJSA-N 0 0 324.358 0.762 10 0 DCAERN COCCCN1CN(CCCOC)CN(CCCOC)C1 ZINC000019328301 182115626 /nfs/dbraw/zinc/11/56/26/182115626.db2.gz BYWNSSMFBBZKMO-UHFFFAOYSA-N 0 0 303.447 0.888 10 0 DCAERN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000152209047 296203092 /nfs/dbraw/zinc/20/30/92/296203092.db2.gz RSPFOHZJQICJGC-FDYHWXHSSA-N 0 0 306.428 0.576 10 0 DCAERN Cc1cc(N2CC(=O)N(C)C2)n2nc(C(F)(F)F)nc2n1 ZINC000572510268 291572508 /nfs/dbraw/zinc/57/25/08/291572508.db2.gz QHFVREOSDBQSRR-UHFFFAOYSA-N 0 0 300.244 0.687 10 0 DCAERN COCCCNC(=O)c1ccccc1NC(=O)CC(=O)OC ZINC000020114075 182188687 /nfs/dbraw/zinc/18/86/87/182188687.db2.gz JDFZOQOIJVAVNY-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN COC(=O)CC(=O)NC[C@@H]1Cc2cc(C(=O)OC)ccc2O1 ZINC000022314844 182317138 /nfs/dbraw/zinc/31/71/38/182317138.db2.gz SOEKIJUOHRNNDY-NSHDSACASA-N 0 0 307.302 0.456 10 0 DCAERN CC1(C)C[C@H](C(=O)NCCCN2C(=O)C=CC2=O)C(C)(C)N1O ZINC000100406630 193799115 /nfs/dbraw/zinc/79/91/15/193799115.db2.gz FEVXOUPPFKJOLP-LLVKDONJSA-N 0 0 322.385 0.642 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1(C)C ZINC000573312649 291623297 /nfs/dbraw/zinc/62/32/97/291623297.db2.gz MNYOYJZKSZPYSO-GDZNZVCISA-N 0 0 324.421 0.944 10 0 DCAERN CO[C@@H]1C[C@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000035645064 182784169 /nfs/dbraw/zinc/78/41/69/182784169.db2.gz MXBHVTZBVDMMDC-XGUBFFRZSA-N 0 0 323.345 0.470 10 0 in-vitro DCAERN COC[C@@H]1CN(C(=O)NCc2nnc3n2CCC3)CC(C)(C)O1 ZINC000573584980 291642590 /nfs/dbraw/zinc/64/25/90/291642590.db2.gz PTZRUFSUEFGILD-NSHDSACASA-N 0 0 323.397 0.560 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000573709357 291650259 /nfs/dbraw/zinc/65/02/59/291650259.db2.gz UWESYAXDLJXLKM-UHFFFAOYSA-N 0 0 303.322 0.047 10 0 DCAERN CN(C)C(=O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555714 182907501 /nfs/dbraw/zinc/90/75/01/182907501.db2.gz XUEUICUKNWOJOU-UHFFFAOYSA-N 0 0 316.770 0.354 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)NCc2cn[nH]c2)cc1 ZINC000037983304 182953067 /nfs/dbraw/zinc/95/30/67/182953067.db2.gz OHPBCRKKBXCCJI-UHFFFAOYSA-N 0 0 308.363 0.638 10 0 DCAERN CCN(CC)S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000040216944 183046550 /nfs/dbraw/zinc/04/65/50/183046550.db2.gz HNLVRWUSZZUPDL-UHFFFAOYSA-N 0 0 321.424 0.010 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000040317037 183054059 /nfs/dbraw/zinc/05/40/59/183054059.db2.gz HJEKNDWPEVYTMF-LBPRGKRZSA-N 0 0 309.391 0.701 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408185495 284663365 /nfs/dbraw/zinc/66/33/65/284663365.db2.gz DBBDCDUSOLTPPC-OBJOEFQTSA-N 0 0 302.378 0.920 10 0 DCAERN CC(C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278612 183249513 /nfs/dbraw/zinc/24/95/13/183249513.db2.gz UGBLGOYXFLLUAF-UHFFFAOYSA-N 0 0 310.372 0.407 10 0 DCAERN COC(=O)CS(=O)(=O)Nc1ccc(Br)cc1N ZINC000042533707 183281600 /nfs/dbraw/zinc/28/16/00/183281600.db2.gz WKDFQNAKLDFHFC-UHFFFAOYSA-N 0 0 323.168 0.946 10 0 DCAERN COC(=O)CCCS(=O)(=O)N(CCC(N)=S)C(C)C ZINC000042528927 183281113 /nfs/dbraw/zinc/28/11/13/183281113.db2.gz CCWIORHWFUBDQF-UHFFFAOYSA-N 0 0 310.441 0.656 10 0 DCAERN NS(=O)(=O)Nc1cccc(NC2CCS(=O)CC2)c1 ZINC000042353340 183257140 /nfs/dbraw/zinc/25/71/40/183257140.db2.gz ONXXEGUKQNTZJC-UHFFFAOYSA-N 0 0 303.409 0.625 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)N1CCc2ccccc21 ZINC000042726545 183302636 /nfs/dbraw/zinc/30/26/36/183302636.db2.gz XCLANHOKVNOSJF-JQWIXIFHSA-N 0 0 316.361 0.152 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C[C@@H](C)O1 ZINC000408076607 296273305 /nfs/dbraw/zinc/27/33/05/296273305.db2.gz LERKXYYFBIMDHQ-CKYFFXLPSA-N 0 0 304.412 0.470 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000104358082 194000803 /nfs/dbraw/zinc/00/08/03/194000803.db2.gz BJBLRZZOEDNALV-OAHLLOKOSA-N 0 0 315.373 0.946 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)NCCCc1ccccc1 ZINC000104843560 194046581 /nfs/dbraw/zinc/04/65/81/194046581.db2.gz SOZCHFFMVUDCDZ-UHFFFAOYSA-N 0 0 300.362 0.785 10 0 DCAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCN2CCCC[C@H]2C1 ZINC000104845421 194046584 /nfs/dbraw/zinc/04/65/84/194046584.db2.gz RZVRHYKRRUNGTL-LBPRGKRZSA-N 0 0 313.357 0.881 10 0 DCAERN CN(CCNC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000104797491 194042476 /nfs/dbraw/zinc/04/24/76/194042476.db2.gz MOHWZCVDFQJVDR-OAHLLOKOSA-N 0 0 306.410 0.753 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000105140257 194078299 /nfs/dbraw/zinc/07/82/99/194078299.db2.gz DXLYLANCANXLRP-UHFFFAOYSA-N 0 0 302.378 0.775 10 0 DCAERN CCNC(=O)c1cccc(CNC(=O)N2CCNC(=O)CC2)c1 ZINC000105156132 194079021 /nfs/dbraw/zinc/07/90/21/194079021.db2.gz ALCIIKFMSDYPID-UHFFFAOYSA-N 0 0 318.377 0.468 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@@](F)(CO)C2)CCCC1 ZINC000408119677 295473381 /nfs/dbraw/zinc/47/33/81/295473381.db2.gz MVCDLAKEZAAVJF-LBPRGKRZSA-N 0 0 307.387 0.667 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000105864885 194149523 /nfs/dbraw/zinc/14/95/23/194149523.db2.gz OBJQFZCMJZYPSK-LLVKDONJSA-N 0 0 320.401 0.824 10 0 DCAERN NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868881 194151877 /nfs/dbraw/zinc/15/18/77/194151877.db2.gz ZNUKAHNNPNQMMP-UHFFFAOYSA-N 0 0 300.362 0.945 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105883452 194157413 /nfs/dbraw/zinc/15/74/13/194157413.db2.gz PLPDKHSSLPDQIG-CYBMUJFWSA-N 0 0 307.398 0.994 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892469 194160100 /nfs/dbraw/zinc/16/01/00/194160100.db2.gz BMDBVOGTNOHVTP-ZDUSSCGKSA-N 0 0 306.366 0.041 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000048088310 183620240 /nfs/dbraw/zinc/62/02/40/183620240.db2.gz QAWYLQIMSQXHMP-NSHDSACASA-N 0 0 310.375 0.428 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000106571895 194231980 /nfs/dbraw/zinc/23/19/80/194231980.db2.gz SUBWYUXNKBUMQN-OLZOCXBDSA-N 0 0 302.378 0.795 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCNC(=O)C1(C)C ZINC000109892665 194296084 /nfs/dbraw/zinc/29/60/84/194296084.db2.gz WROWSAVCXPIGID-UHFFFAOYSA-N 0 0 303.362 0.462 10 0 DCAERN CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000110360891 194325394 /nfs/dbraw/zinc/32/53/94/194325394.db2.gz HUUVRVZQQMOINN-SECBINFHSA-N 0 0 311.363 0.523 10 0 DCAERN CCOCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000053734064 183911309 /nfs/dbraw/zinc/91/13/09/183911309.db2.gz CPBOHSAYEVLQHF-SNVBAGLBSA-N 0 0 300.380 0.938 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1=O ZINC000110445491 194331234 /nfs/dbraw/zinc/33/12/34/194331234.db2.gz RPZUKXMPZPRRGL-KBPBESRZSA-N 0 0 313.357 0.467 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083402 194389809 /nfs/dbraw/zinc/38/98/09/194389809.db2.gz TXZXVEFAIRIZNV-HUUCEWRRSA-N 0 0 323.393 0.696 10 0 DCAERN CC1CCN(c2ccc(CNC(=O)CNC(N)=O)cn2)CC1 ZINC000058929725 184132113 /nfs/dbraw/zinc/13/21/13/184132113.db2.gz XMLXMUPDVQFWBU-UHFFFAOYSA-N 0 0 305.382 0.602 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000083172456 252585820 /nfs/dbraw/zinc/58/58/20/252585820.db2.gz JSDAHGYOJYCBAF-LLVKDONJSA-N 0 0 321.429 0.353 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000083065936 252586425 /nfs/dbraw/zinc/58/64/25/252586425.db2.gz XQTOSOWWOOVNCU-QMMMGPOBSA-N 0 0 304.343 0.561 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@H](NC(C)=O)c2ccccc2)C1 ZINC000176424458 252602830 /nfs/dbraw/zinc/60/28/30/252602830.db2.gz ONFLNWKXRLBDDU-HNNXBMFYSA-N 0 0 317.389 0.848 10 0 DCAERN Cc1cc(C(=O)N2CCOCC2)ccc1N[C@@H]1CCNC1=O ZINC000179903389 252611326 /nfs/dbraw/zinc/61/13/26/252611326.db2.gz ZQKUKPNAOZPZOP-CQSZACIVSA-N 0 0 303.362 0.768 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000185781609 252613049 /nfs/dbraw/zinc/61/30/49/252613049.db2.gz RTOFUQIOINDVNO-TXEJJXNPSA-N 0 0 320.393 0.448 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313664674 252643948 /nfs/dbraw/zinc/64/39/48/252643948.db2.gz NJFMATGWFRCHPQ-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc(C(C)C)n1C ZINC000330837501 252647701 /nfs/dbraw/zinc/64/77/01/252647701.db2.gz ITSLHIMJKGJEPK-SNVBAGLBSA-N 0 0 311.411 0.476 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCc3cncnc3C2)cn1 ZINC000333123624 252682476 /nfs/dbraw/zinc/68/24/76/252682476.db2.gz VJMNCIQJADGXOH-UHFFFAOYSA-N 0 0 306.347 0.627 10 0 DCAERN COCCN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000111228039 285050975 /nfs/dbraw/zinc/05/09/75/285050975.db2.gz RMKAUUBSPNJYRG-VXGBXAGGSA-N 0 0 323.359 0.802 10 0 DCAERN CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337733301 252889192 /nfs/dbraw/zinc/88/91/92/252889192.db2.gz PIAXGRIYXXONFQ-RYUDHWBXSA-N 0 0 304.412 0.580 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CO)c1 ZINC000338902914 253007469 /nfs/dbraw/zinc/00/74/69/253007469.db2.gz SDXIMTAYCTXMRX-JTQLQIEISA-N 0 0 307.350 0.447 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000339583303 253108772 /nfs/dbraw/zinc/10/87/72/253108772.db2.gz IORRLKRQSZPAJU-CYBMUJFWSA-N 0 0 307.350 0.413 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)NCC(=O)NCc1ccco1 ZINC000339583304 253108840 /nfs/dbraw/zinc/10/88/40/253108840.db2.gz IORRLKRQSZPAJU-ZDUSSCGKSA-N 0 0 307.350 0.413 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(O)CCSCC2)C[C@@H]1C ZINC000408316836 291858076 /nfs/dbraw/zinc/85/80/76/291858076.db2.gz DNQDEAGVEOGRMU-QWRGUYRKSA-N 0 0 301.408 0.902 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000340596657 253281854 /nfs/dbraw/zinc/28/18/54/253281854.db2.gz OWBXTBZTHJLHOX-HRDYMLBCSA-N 0 0 320.333 0.243 10 0 DCAERN CCN1C(=O)CC[C@@H](C(=O)N2CC[C@H](O)C2)[C@H]1c1cnn(C)c1 ZINC000408388332 285156863 /nfs/dbraw/zinc/15/68/63/285156863.db2.gz CDCORVDMTIFFAG-GZBFAFLISA-N 0 0 320.393 0.313 10 0 DCAERN COc1ccccc1CNC(=O)CN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346062541 254004583 /nfs/dbraw/zinc/00/45/83/254004583.db2.gz LFIIQAYYZPOPAN-RYUDHWBXSA-N 0 0 309.341 0.209 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN(C)CC(=O)NC(C)C)s1 ZINC000346362209 254041436 /nfs/dbraw/zinc/04/14/36/254041436.db2.gz ULJBJAWIVJVQJL-UHFFFAOYSA-N 0 0 312.395 0.741 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1[C@@H]1CCN(c2ccccc2)C1 ZINC000277143442 296392211 /nfs/dbraw/zinc/39/22/11/296392211.db2.gz AMHAXWJSPMIJBW-CZUORRHYSA-N 0 0 301.346 0.976 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2C)c1 ZINC000351049677 254332773 /nfs/dbraw/zinc/33/27/73/254332773.db2.gz BSJDKUTZGKCPMR-YGRLFVJLSA-N 0 0 319.361 0.590 10 0 DCAERN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)C(=O)N2C1 ZINC000350177091 254312978 /nfs/dbraw/zinc/31/29/78/254312978.db2.gz QBCJJDASVORPBT-LZQZFOIKSA-N 0 0 307.350 0.047 10 0 DCAERN COc1ccc(C)cc1CC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350620481 254319935 /nfs/dbraw/zinc/31/99/35/254319935.db2.gz NUUYLRSEEQYNFO-JTQLQIEISA-N 0 0 300.380 0.339 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(Br)cc1)S(N)(=O)=O ZINC000350621709 254320394 /nfs/dbraw/zinc/32/03/94/254320394.db2.gz URHUPNRWQIXOFZ-ZETCQYMHSA-N 0 0 321.196 0.856 10 0 DCAERN Cc1ccccc1SCC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350629919 254321534 /nfs/dbraw/zinc/32/15/34/254321534.db2.gz UIPPCZALMBBPEA-JTQLQIEISA-N 0 0 302.421 0.880 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000350639328 254322198 /nfs/dbraw/zinc/32/21/98/254322198.db2.gz OWTVNRNBZRZJSN-CYBMUJFWSA-N 0 0 317.345 0.565 10 0 DCAERN CC(=O)c1ccc(NC(=O)Cn2nnn(C3CC3)c2=O)cc1 ZINC000351847680 254374551 /nfs/dbraw/zinc/37/45/51/254374551.db2.gz JXSIOFUPPUYMMP-UHFFFAOYSA-N 0 0 301.306 0.616 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 ZINC000247949318 257112944 /nfs/dbraw/zinc/11/29/44/257112944.db2.gz LCTKXEDSBIEEDB-LBPRGKRZSA-N 0 0 315.333 0.692 10 0 DCAERN Cc1ccc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NC3CC3)C2)nn1 ZINC000247931682 257114186 /nfs/dbraw/zinc/11/41/86/257114186.db2.gz QXZGVECJFHDQCN-MCIONIFRSA-N 0 0 302.378 0.905 10 0 DCAERN COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CCN2c2ncc(F)cn2)O1 ZINC000247909459 257114276 /nfs/dbraw/zinc/11/42/76/257114276.db2.gz YATMOHXARKXSEP-AVGNSLFASA-N 0 0 324.356 0.505 10 0 DCAERN O=C([C@@H]1CCOC1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000247855077 257116383 /nfs/dbraw/zinc/11/63/83/257116383.db2.gz KDMZHKOKGJCCAO-BNOWGMLFSA-N 0 0 301.346 0.824 10 0 DCAERN CCS(=O)(=O)N1CC[C@@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000253491763 257105232 /nfs/dbraw/zinc/10/52/32/257105232.db2.gz NRXPZRXMGNJBDD-OCCSQVGLSA-N 0 0 316.423 0.582 10 0 DCAERN O=C(CCC1CCOCC1)NC[C@H](O)CN1CCOCC1 ZINC000132974732 545795410 /nfs/dbraw/zinc/79/54/10/545795410.db2.gz GAJYJLOIEMLFKN-AWEZNQCLSA-N 0 0 300.399 0.003 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000179924744 533273159 /nfs/dbraw/zinc/27/31/59/533273159.db2.gz CFPIUZCAMLDLQV-NRXISQOPSA-N 0 0 324.421 0.899 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000187713415 533581158 /nfs/dbraw/zinc/58/11/58/533581158.db2.gz HOWOKCOWCYYWTE-CQSZACIVSA-N 0 0 321.421 0.310 10 0 DCAERN CCN1C[C@@H](C(=O)[O-])C(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000028643015 285434674 /nfs/dbraw/zinc/43/46/74/285434674.db2.gz NFGPPHBSSDCMOL-LLVKDONJSA-N 0 0 321.352 0.959 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275326823 130303850 /nfs/dbraw/zinc/30/38/50/130303850.db2.gz QNSFYKXOFABSIV-NEPJUHHUSA-N 0 0 303.366 0.939 10 0 DCAERN COCc1ccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)cc1 ZINC000275804803 130388889 /nfs/dbraw/zinc/38/88/89/130388889.db2.gz TVGCCJUKHBMQRB-INIZCTEOSA-N 0 0 321.421 0.451 10 0 DCAERN O=S(=O)(c1ccccc1N1CCO[C@@H](CO)C1)C(F)F ZINC000094267260 296472349 /nfs/dbraw/zinc/47/23/49/296472349.db2.gz HNQJLOHRMCIKAN-SECBINFHSA-N 0 0 307.318 0.880 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)N(C(C)=O)C1 ZINC000278228060 130673340 /nfs/dbraw/zinc/67/33/40/130673340.db2.gz SVXIYBUYTPEMQL-AEGPPILISA-N 0 0 320.393 0.372 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284005515 131040335 /nfs/dbraw/zinc/04/03/35/131040335.db2.gz MSRADTGWEOLJMG-UONOGXRCSA-N 0 0 320.393 0.705 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)COCc3ccnn3C)C2)cn1 ZINC000284351941 131072521 /nfs/dbraw/zinc/07/25/21/131072521.db2.gz NADIPVYFUDCJBB-LBPRGKRZSA-N 0 0 303.366 0.686 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)s1 ZINC000284375756 131075616 /nfs/dbraw/zinc/07/56/16/131075616.db2.gz ACMPHFMIEYALKN-KCJUWKMLSA-N 0 0 318.420 0.628 10 0 DCAERN COc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)ccc1F ZINC000284402047 131077666 /nfs/dbraw/zinc/07/76/66/131077666.db2.gz AXKRBZPCGRIZDZ-XCBNKYQSSA-N 0 0 320.317 0.421 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000284515698 131088010 /nfs/dbraw/zinc/08/80/10/131088010.db2.gz FANRTGVGZNTCTL-CABNGKKXSA-N 0 0 320.393 0.263 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528819 131089392 /nfs/dbraw/zinc/08/93/92/131089392.db2.gz CIIBXGQHPYMAHN-NWDGAFQWSA-N 0 0 301.350 0.274 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccccc1C(N)=O ZINC000284637866 131098570 /nfs/dbraw/zinc/09/85/70/131098570.db2.gz QYDMODJCGBBWEQ-KBPBESRZSA-N 0 0 320.389 0.980 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)CC(=O)N1C ZINC000284641747 131099664 /nfs/dbraw/zinc/09/96/64/131099664.db2.gz KKAUQJRYAWGSAJ-JTQLQIEISA-N 0 0 304.350 0.568 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1c1cnn(C)c1 ZINC000284663827 131101808 /nfs/dbraw/zinc/10/18/08/131101808.db2.gz UROAWULCEPWFNO-HZSPNIEDSA-N 0 0 320.393 0.277 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)ccc2O1 ZINC000284817248 131113586 /nfs/dbraw/zinc/11/35/86/131113586.db2.gz UMMYNBYBHIKPSO-GIPNMCIBSA-N 0 0 324.402 0.752 10 0 DCAERN Cc1noc([C@H]2CN(S(=O)(=O)c3cccnc3)CCN2C)n1 ZINC000284856755 131116117 /nfs/dbraw/zinc/11/61/17/131116117.db2.gz FHGYJLIQDZPEAU-GFCCVEGCSA-N 0 0 323.378 0.450 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284935692 131125040 /nfs/dbraw/zinc/12/50/40/131125040.db2.gz NWQKDWAVAZOXLI-JTQLQIEISA-N 0 0 305.338 0.148 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000285106408 131138652 /nfs/dbraw/zinc/13/86/52/131138652.db2.gz YFSOHJKUBSBPPS-ZMSDIMECSA-N 0 0 318.373 0.134 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(F)c1 ZINC000285151113 131142767 /nfs/dbraw/zinc/14/27/67/131142767.db2.gz TXQXGAVNOXFUBR-SCZZXKLOSA-N 0 0 304.318 0.721 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285516318 131175873 /nfs/dbraw/zinc/17/58/73/131175873.db2.gz MZBKBBLRQMJBLK-MLGOLLRUSA-N 0 0 306.362 0.431 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285523797 131176971 /nfs/dbraw/zinc/17/69/71/131176971.db2.gz NIZKNRIEOVBZJN-JICACKBISA-N 0 0 318.373 0.937 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000285563268 131181505 /nfs/dbraw/zinc/18/15/05/131181505.db2.gz PJZAGXOMVGQMKL-MRXNPFEDSA-N 0 0 318.377 0.356 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000285618614 131187456 /nfs/dbraw/zinc/18/74/56/131187456.db2.gz SDKCCSPDJXWIJM-WWGRRREGSA-N 0 0 306.337 0.768 10 0 DCAERN C[C@H](CN1CCN(Cc2ccncc2)CC1)CS(C)(=O)=O ZINC000119755950 132135622 /nfs/dbraw/zinc/13/56/22/132135622.db2.gz QUNRYRHDRUISTC-CQSZACIVSA-N 0 0 311.451 0.880 10 0 DCAERN O=S(=O)(NC[C@]1(CCO)CCOC1)c1ccccc1F ZINC000120158364 132139678 /nfs/dbraw/zinc/13/96/78/132139678.db2.gz GUYOZGJWAFUHRT-ZDUSSCGKSA-N 0 0 303.355 0.893 10 0 DCAERN CCNS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183196037 285602438 /nfs/dbraw/zinc/60/24/38/285602438.db2.gz OTRPKYULJLADDO-LLVKDONJSA-N 0 0 313.427 0.996 10 0 DCAERN COc1ccc(O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011716870 395686866 /nfs/dbraw/zinc/68/68/66/395686866.db2.gz ATCFFOLFXAHBNW-QWRGUYRKSA-N 0 0 313.375 0.766 10 0 DCAERN C[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)C[C@@H](C)O1 ZINC000015255225 395689910 /nfs/dbraw/zinc/68/99/10/395689910.db2.gz VPYWHPHCNVOGHB-ZIAGYGMSSA-N 0 0 313.442 0.323 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC1 ZINC000016061532 395690149 /nfs/dbraw/zinc/69/01/49/395690149.db2.gz QIYOYULNMSNHKW-UHFFFAOYSA-N 0 0 324.402 0.862 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)C(C)(C)C ZINC000088773876 395708074 /nfs/dbraw/zinc/70/80/74/395708074.db2.gz WTGATWOWZNREDM-SECBINFHSA-N 0 0 300.446 0.280 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC[C@@H](C)[C@@H](O)C3)c(=O)n2c1 ZINC000089406937 395710902 /nfs/dbraw/zinc/71/09/02/395710902.db2.gz RFUOESGUZIRINX-YPMHNXCESA-N 0 0 301.346 0.846 10 0 DCAERN Cc1ccc(CC(=O)NC[C@@H](O)CN2CCOCC2)cc1O ZINC000089435937 395711601 /nfs/dbraw/zinc/71/16/01/395711601.db2.gz CHEFVAWMNGZIKL-CQSZACIVSA-N 0 0 308.378 0.052 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2cccc(C(N)=O)c2)C1 ZINC000028056120 395695638 /nfs/dbraw/zinc/69/56/38/395695638.db2.gz BLTOAEJWFIOOOX-NSHDSACASA-N 0 0 311.407 0.852 10 0 DCAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000029515680 395698599 /nfs/dbraw/zinc/69/85/99/395698599.db2.gz JOWAQVVFVWYDDF-WTIVYXKASA-N 0 0 305.378 0.602 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(N)c2)CC1 ZINC000040333458 395733124 /nfs/dbraw/zinc/73/31/24/395733124.db2.gz JZTPWUVFYFCAKS-UHFFFAOYSA-N 0 0 311.407 0.758 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NC1CC1 ZINC000041624663 395738402 /nfs/dbraw/zinc/73/84/02/395738402.db2.gz NUZPPAPWWRSXOV-WXHSDQCUSA-N 0 0 323.393 0.781 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000042008834 395741387 /nfs/dbraw/zinc/74/13/87/395741387.db2.gz SQFGOYBAROMNSX-MNOVXSKESA-N 0 0 307.350 0.477 10 0 DCAERN CCCOC(=O)C[C@@H](C(=O)OCC)n1cnc2c1ncnc2N ZINC000096327755 395752354 /nfs/dbraw/zinc/75/23/54/395752354.db2.gz KLHAHEYAFQGOEJ-VIFPVBQESA-N 0 0 321.337 0.856 10 0 DCAERN C[C@@H](CNC(=O)N(CCO)Cc1ccccc1)N1CCOCC1 ZINC000097427940 395757665 /nfs/dbraw/zinc/75/76/65/395757665.db2.gz BYJBWPWNGNWTJU-HNNXBMFYSA-N 0 0 321.421 0.911 10 0 DCAERN COCCN1CCN(CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC000105833877 395780728 /nfs/dbraw/zinc/78/07/28/395780728.db2.gz IKYMUSZAGAZRQT-LLVKDONJSA-N 0 0 311.348 0.660 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N(C)C)CC2=O)cc1 ZINC000046826914 395780798 /nfs/dbraw/zinc/78/07/98/395780798.db2.gz DPOBCTVFWDFKEW-STQMWFEESA-N 0 0 317.389 0.941 10 0 DCAERN C[C@@H](CNC(=O)c1ccc([S@@](C)=O)cc1)N1CCOCC1 ZINC000106272190 395781840 /nfs/dbraw/zinc/78/18/40/395781840.db2.gz DBXXLJJOAWAYPC-QKVFXAPYSA-N 0 0 310.419 0.875 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCC1=O ZINC000193922047 395782166 /nfs/dbraw/zinc/78/21/66/395782166.db2.gz JIODIECGUANBRW-SNVBAGLBSA-N 0 0 300.314 0.720 10 0 DCAERN CCO[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000106386600 395782566 /nfs/dbraw/zinc/78/25/66/395782566.db2.gz GQTBRWLGBGQJQH-NOOROHOASA-N 0 0 318.322 0.563 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106510436 395783158 /nfs/dbraw/zinc/78/31/58/395783158.db2.gz YDALIUXJCBDQDH-NWDGAFQWSA-N 0 0 315.439 0.490 10 0 DCAERN COCCS(=O)(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000193943942 395783885 /nfs/dbraw/zinc/78/38/85/395783885.db2.gz LMFJZBFYWKUVDC-JTQLQIEISA-N 0 0 306.409 0.801 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nncn2C)C1)C(C)C ZINC000108257967 395787150 /nfs/dbraw/zinc/78/71/50/395787150.db2.gz GNAVZQZOLNOXBW-VXGBXAGGSA-N 0 0 323.397 0.902 10 0 DCAERN Cc1noc(CCNC(=O)NCC(=O)OCc2ccccc2)n1 ZINC000101619052 395766114 /nfs/dbraw/zinc/76/61/14/395766114.db2.gz GHKRRBKGDRTUBS-UHFFFAOYSA-N 0 0 318.333 0.963 10 0 DCAERN COC(=O)[C@H](C)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000045854756 395767282 /nfs/dbraw/zinc/76/72/82/395767282.db2.gz ZSMBWVXVONPRSD-LLVKDONJSA-N 0 0 317.345 0.664 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000103959091 395776107 /nfs/dbraw/zinc/77/61/07/395776107.db2.gz NBGZGLJQIKWSJP-GFCCVEGCSA-N 0 0 307.325 0.293 10 0 DCAERN NC(=O)NCC(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000046594947 395778794 /nfs/dbraw/zinc/77/87/94/395778794.db2.gz GJTLQWFRZNIPIZ-UHFFFAOYSA-N 0 0 306.244 0.307 10 0 DCAERN CC(C)CN1C(=O)C(=O)N(Cc2nnc(C(C)C)n2C)C1=O ZINC000194672375 395803315 /nfs/dbraw/zinc/80/33/15/395803315.db2.gz XKMXEWQWXJFXJL-UHFFFAOYSA-N 0 0 307.354 0.885 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N[C@H]1COc2ccccc21 ZINC000194879253 395810001 /nfs/dbraw/zinc/81/00/01/395810001.db2.gz NXBMIONXOJYUFR-LBPRGKRZSA-N 0 0 310.375 0.662 10 0 DCAERN NC(=O)N1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000111688380 395812051 /nfs/dbraw/zinc/81/20/51/395812051.db2.gz LAJPMAQWMIPLTR-ZIAGYGMSSA-N 0 0 324.425 0.243 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCC2CCOCC2)cc1 ZINC000195035008 395814044 /nfs/dbraw/zinc/81/40/44/395814044.db2.gz WIMYTLKSBOADNZ-UHFFFAOYSA-N 0 0 306.362 0.968 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1CCN2CCCC[C@H]2C1 ZINC000195066813 395815498 /nfs/dbraw/zinc/81/54/98/395815498.db2.gz LDNNVDXELHXDAU-LBPRGKRZSA-N 0 0 322.438 0.797 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000195102791 395815908 /nfs/dbraw/zinc/81/59/08/395815908.db2.gz HJRORASMHLDQNU-YPMHNXCESA-N 0 0 318.377 0.745 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000195274797 395823269 /nfs/dbraw/zinc/82/32/69/395823269.db2.gz YBSISBUZZIIFJX-NSHDSACASA-N 0 0 301.412 0.964 10 0 DCAERN CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195327198 395824337 /nfs/dbraw/zinc/82/43/37/395824337.db2.gz BLIQYWVJARIAOO-LBPRGKRZSA-N 0 0 323.418 0.978 10 0 DCAERN CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCOC1 ZINC000113315006 395829949 /nfs/dbraw/zinc/82/99/49/395829949.db2.gz GOXQRKWEWSIJKR-LBPRGKRZSA-N 0 0 312.391 0.514 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000113567110 395830531 /nfs/dbraw/zinc/83/05/31/395830531.db2.gz MGMWSHUQJRQACU-SKDRFNHKSA-N 0 0 304.350 0.822 10 0 DCAERN NC(=O)NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510947 395830883 /nfs/dbraw/zinc/83/08/83/395830883.db2.gz IFUHTBIJUHJMQD-JTQLQIEISA-N 0 0 306.370 0.336 10 0 DCAERN O=c1cc(NS(=O)(=O)c2ccc(O)c3ncccc23)[nH][nH]1 ZINC000205554295 395834934 /nfs/dbraw/zinc/83/49/34/395834934.db2.gz INSCDVODETXBKJ-UHFFFAOYSA-N 0 0 306.303 0.052 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NCC(=O)N1CCOCC1 ZINC000114452652 395835024 /nfs/dbraw/zinc/83/50/24/395835024.db2.gz AVWOBQIXRAJPNV-UHFFFAOYSA-N 0 0 312.391 0.669 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000050856712 395841924 /nfs/dbraw/zinc/84/19/24/395841924.db2.gz FQYFRDHIHUUGIR-NEPJUHHUSA-N 0 0 310.737 0.356 10 0 DCAERN Cn1cc([C@@H]2CCN([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000116317163 395842767 /nfs/dbraw/zinc/84/27/67/395842767.db2.gz ZUXSGVLSHMULMM-IUODEOHRSA-N 0 0 314.393 0.748 10 0 DCAERN CCCc1cc(N2CC[C@H](NS(C)(=O)=O)C2)n2ncnc2n1 ZINC000116872830 395847626 /nfs/dbraw/zinc/84/76/26/395847626.db2.gz UIBUMRTYHUKUIH-NSHDSACASA-N 0 0 324.410 0.205 10 0 DCAERN COCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117021826 395850231 /nfs/dbraw/zinc/85/02/31/395850231.db2.gz XYQSCCOVSJFLTB-OAHLLOKOSA-N 0 0 307.394 0.694 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000221277806 395850353 /nfs/dbraw/zinc/85/03/53/395850353.db2.gz SSMKORYDAOXUJC-IUCAKERBSA-N 0 0 319.404 0.926 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000117522601 395852894 /nfs/dbraw/zinc/85/28/94/395852894.db2.gz DJZOBPKIVJFBSN-LBPRGKRZSA-N 0 0 323.368 0.943 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)N[C@H]2CCOc3ccccc32)CCO1 ZINC000051676285 395852910 /nfs/dbraw/zinc/85/29/10/395852910.db2.gz LOYJHACSTGDCHF-WCQYABFASA-N 0 0 305.334 0.406 10 0 DCAERN CNC(=O)c1cccc(Nc2ncnc(N3CC(O)C3)n2)c1 ZINC000222933456 395853501 /nfs/dbraw/zinc/85/35/01/395853501.db2.gz WKVXCQBOQBIORE-UHFFFAOYSA-N 0 0 300.322 0.156 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000117799938 395854293 /nfs/dbraw/zinc/85/42/93/395854293.db2.gz JRHKOIVQBMEPKA-UKRRQHHQSA-N 0 0 316.361 0.973 10 0 DCAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000117812208 395855184 /nfs/dbraw/zinc/85/51/84/395855184.db2.gz ZOKZJLACMFVFMG-OAHLLOKOSA-N 0 0 319.365 0.028 10 0 DCAERN O=C(CS(=O)(=O)c1nncn1C1CC1)NC1CCCCC1 ZINC000108591924 395792040 /nfs/dbraw/zinc/79/20/40/395792040.db2.gz BLDDVCIUGNAWPG-UHFFFAOYSA-N 0 0 312.395 0.836 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCOc2cccc(C=O)c2)C1 ZINC000109264583 395797415 /nfs/dbraw/zinc/79/74/15/395797415.db2.gz PXDQYKKVLOUFKI-OAHLLOKOSA-N 0 0 306.362 0.715 10 0 DCAERN CCN1CCO[C@H](C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000194526683 395798656 /nfs/dbraw/zinc/79/86/56/395798656.db2.gz QAKCNLGXOJBZQI-AWEZNQCLSA-N 0 0 315.377 0.986 10 0 DCAERN C[C@@H](CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000047880024 395802329 /nfs/dbraw/zinc/80/23/29/395802329.db2.gz YILNPKBVUBUDIO-NSHDSACASA-N 0 0 310.375 0.552 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000245442069 395929357 /nfs/dbraw/zinc/92/93/57/395929357.db2.gz VZAWCBRHQMYCOP-DZGCQCFKSA-N 0 0 321.425 0.226 10 0 DCAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCC[NH3+] ZINC000237138749 395903491 /nfs/dbraw/zinc/90/34/91/395903491.db2.gz UBTPUYBLWJDVKO-UHFFFAOYSA-N 0 0 306.771 0.754 10 0 DCAERN Cn1nccc1CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000125491010 395904053 /nfs/dbraw/zinc/90/40/53/395904053.db2.gz KTMMTZZZVOINDS-UHFFFAOYSA-N 0 0 314.411 0.242 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000054703865 395904738 /nfs/dbraw/zinc/90/47/38/395904738.db2.gz QQAYFEBVRQTPIV-MFKMUULPSA-N 0 0 315.329 0.741 10 0 DCAERN Cn1cc(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000054811993 395906170 /nfs/dbraw/zinc/90/61/70/395906170.db2.gz JVOHGQNLPWBMRN-CYBMUJFWSA-N 0 0 315.381 0.678 10 0 DCAERN CC[C@H](CO)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000273276919 395910878 /nfs/dbraw/zinc/91/08/78/395910878.db2.gz CSMLLYRNHWNZCG-CYBMUJFWSA-N 0 0 312.435 0.983 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)C[C@H](C)O1 ZINC000055275509 395915502 /nfs/dbraw/zinc/91/55/02/395915502.db2.gz VMUNZUWOOLGEOT-STQMWFEESA-N 0 0 313.423 0.910 10 0 DCAERN Cc1cc(C)n2c(CN3CCS(=O)(=O)[C@@H](C)C3)cnc2n1 ZINC000127913716 395916690 /nfs/dbraw/zinc/91/66/90/395916690.db2.gz YZBGLIJBXIIALG-LBPRGKRZSA-N 0 0 308.407 0.965 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000129990973 395921243 /nfs/dbraw/zinc/92/12/43/395921243.db2.gz UDVRWQRTHDGPMN-CYBMUJFWSA-N 0 0 319.405 0.637 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CCCN1c1nccs1 ZINC000130177376 395921668 /nfs/dbraw/zinc/92/16/68/395921668.db2.gz IJGGEFKAYREDOG-LLVKDONJSA-N 0 0 306.395 0.910 10 0 DCAERN CN(C)CCN(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000244109167 395924469 /nfs/dbraw/zinc/92/44/69/395924469.db2.gz UIPUQQROZRCDQJ-OAHLLOKOSA-N 0 0 324.446 0.806 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)[C@@H]1CCCO1 ZINC000131403713 395924568 /nfs/dbraw/zinc/92/45/68/395924568.db2.gz QHBRZXCNXZGDJV-YFKTTZPYSA-N 0 0 304.412 0.771 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000131792341 395925990 /nfs/dbraw/zinc/92/59/90/395925990.db2.gz ZVOZLXCUSDAENL-RWMBFGLXSA-N 0 0 320.455 0.714 10 0 DCAERN CCS(=O)(=O)CCN1CCN(c2nccc(OC)n2)CC1 ZINC000118394196 395861986 /nfs/dbraw/zinc/86/19/86/395861986.db2.gz CGGNXXYUXQEQRX-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)C[C@@H](CO)O1 ZINC000230017379 395877343 /nfs/dbraw/zinc/87/73/43/395877343.db2.gz IXHLFDGIONPETC-ZANVPECISA-N 0 0 300.305 0.985 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000119854125 395877403 /nfs/dbraw/zinc/87/74/03/395877403.db2.gz KTTXCUXSUVESHD-SECBINFHSA-N 0 0 300.790 0.696 10 0 DCAERN CN(C)c1ccccc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000119873698 395878353 /nfs/dbraw/zinc/87/83/53/395878353.db2.gz ZKDQULBLMMAGJD-ZDUSSCGKSA-N 0 0 322.409 0.567 10 0 DCAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000230170010 395878974 /nfs/dbraw/zinc/87/89/74/395878974.db2.gz OITAQCZCGQTOCD-WOPDTQHZSA-N 0 0 303.428 0.454 10 0 DCAERN CCCN(CC(=O)NC(N)=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000120032489 395880656 /nfs/dbraw/zinc/88/06/56/395880656.db2.gz SLJMSUMYTUMAGK-LLVKDONJSA-N 0 0 306.366 0.921 10 0 DCAERN CCCn1nccc1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000120864332 395883064 /nfs/dbraw/zinc/88/30/64/395883064.db2.gz LWTJLGXERYFUIC-JTQLQIEISA-N 0 0 300.384 0.944 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1oc(C2CC2)nc1C ZINC000273541761 395928748 /nfs/dbraw/zinc/92/87/48/395928748.db2.gz GCJCHBDUDDYBMH-SNVBAGLBSA-N 0 0 321.333 0.364 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000152040792 395998362 /nfs/dbraw/zinc/99/83/62/395998362.db2.gz FCMCXCRUJUMASD-LBPRGKRZSA-N 0 0 320.397 0.458 10 0 DCAERN CSCCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000134493215 395932235 /nfs/dbraw/zinc/93/22/35/395932235.db2.gz FMHFJKJKMGTDNC-GFCCVEGCSA-N 0 0 300.424 0.979 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000056863668 395934589 /nfs/dbraw/zinc/93/45/89/395934589.db2.gz BTJZYNVAAXEKKZ-OLZOCXBDSA-N 0 0 314.430 0.311 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000245715237 395934968 /nfs/dbraw/zinc/93/49/68/395934968.db2.gz GKWAPBGJQWXIQZ-SLEUVZQESA-N 0 0 318.373 0.603 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCCC[C@@H]1c1nccs1 ZINC000134830257 395935463 /nfs/dbraw/zinc/93/54/63/395935463.db2.gz LPTCECSYTWIDNY-SECBINFHSA-N 0 0 308.363 0.749 10 0 DCAERN CNC(=O)c1cccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)c1 ZINC000135510664 395940299 /nfs/dbraw/zinc/94/02/99/395940299.db2.gz IUSDYSOJEHDXEU-MFKMUULPSA-N 0 0 312.391 0.643 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C[C@@H]1C ZINC000246085189 395940819 /nfs/dbraw/zinc/94/08/19/395940819.db2.gz IGGCJJURGPMFDL-AVGNSLFASA-N 0 0 306.410 0.743 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NC[C@H]1CCCS1(=O)=O ZINC000136051057 395943599 /nfs/dbraw/zinc/94/35/99/395943599.db2.gz GLISVYHATOFVII-GFCCVEGCSA-N 0 0 324.402 0.418 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000274410093 395945493 /nfs/dbraw/zinc/94/54/93/395945493.db2.gz GQCIENYOWYJBGN-GXTWGEPZSA-N 0 0 320.393 0.579 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000136361501 395945984 /nfs/dbraw/zinc/94/59/84/395945984.db2.gz ZTCBUDRSXCNTKU-GFCCVEGCSA-N 0 0 300.399 0.803 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)N3C[C@@H]4[C@H](C3)C4(C)C)C2=O)cn1 ZINC000246339003 395947310 /nfs/dbraw/zinc/94/73/10/395947310.db2.gz OUGKMYLSWNZABV-XQQFMLRXSA-N 0 0 317.393 0.823 10 0 DCAERN O=C(C1CC(=O)C1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000136954041 395949366 /nfs/dbraw/zinc/94/93/66/395949366.db2.gz WJNXIHVGIQSGMR-INIZCTEOSA-N 0 0 302.374 0.843 10 0 DCAERN COC[C@@H](C)NC(=O)NC(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000246428687 395949959 /nfs/dbraw/zinc/94/99/59/395949959.db2.gz UZYWYCMBGJCNKF-YPMHNXCESA-N 0 0 323.397 0.797 10 0 DCAERN COCCc1noc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000246533224 395951861 /nfs/dbraw/zinc/95/18/61/395951861.db2.gz SFFVGHRHDYPCPP-CHWSQXEVSA-N 0 0 310.398 0.411 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C[C@H](C)CS(C)(=O)=O ZINC000246635893 395955050 /nfs/dbraw/zinc/95/50/50/395955050.db2.gz UAPHIOJDYMKMGW-STQMWFEESA-N 0 0 304.456 1.000 10 0 DCAERN CN(C)C(=O)C1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000058773187 395955149 /nfs/dbraw/zinc/95/51/49/395955149.db2.gz LMCMXRWGHJIJRM-UHFFFAOYSA-N 0 0 312.414 0.411 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000246874191 395960138 /nfs/dbraw/zinc/96/01/38/395960138.db2.gz DQEDTWOMMDUPID-ZDUSSCGKSA-N 0 0 307.460 0.616 10 0 DCAERN CN(CC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)S(C)(=O)=O ZINC000246969455 395962658 /nfs/dbraw/zinc/96/26/58/395962658.db2.gz NNYFLNSJZCKBQK-UMVBOHGHSA-N 0 0 308.403 0.580 10 0 DCAERN CC1(C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@@H]2CCO[C@H]21 ZINC000247159132 395967423 /nfs/dbraw/zinc/96/74/23/395967423.db2.gz XYCDPSPDRIBMGD-YNEHKIRRSA-N 0 0 324.402 0.877 10 0 DCAERN NC(=O)CCSc1nc2ccccc2c(=O)n1CCCO ZINC000061733805 395970679 /nfs/dbraw/zinc/97/06/79/395970679.db2.gz IQFYJZCUEFYWOI-UHFFFAOYSA-N 0 0 307.375 0.746 10 0 DCAERN Cc1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1C(N)=O ZINC000150837068 395973296 /nfs/dbraw/zinc/97/32/96/395973296.db2.gz KVZZYTBJKGXGKQ-LBPRGKRZSA-N 0 0 306.366 0.546 10 0 DCAERN NC(=O)COc1cccc(C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000151042499 395977304 /nfs/dbraw/zinc/97/73/04/395977304.db2.gz BXSQDJQDOXWUGV-JSGCOSHPSA-N 0 0 306.362 0.832 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000248990740 396001193 /nfs/dbraw/zinc/00/11/93/396001193.db2.gz XCZAJQFGMBLBTA-FPMFFAJLSA-N 0 0 324.402 0.889 10 0 DCAERN COc1ccccc1N1CC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)C1=O ZINC000151134117 395979703 /nfs/dbraw/zinc/97/97/03/395979703.db2.gz FDNNUVBBAPYQIR-UONOGXRCSA-N 0 0 319.405 0.721 10 0 DCAERN Cn1ncnc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000151145145 395980443 /nfs/dbraw/zinc/98/04/43/395980443.db2.gz JCCPEDBYNRHLKK-ZDUSSCGKSA-N 0 0 313.361 0.845 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)c1cccc(CN2CCCC2=O)c1 ZINC000064098453 395984440 /nfs/dbraw/zinc/98/44/40/395984440.db2.gz TURAXNUWZJSRDU-AWEZNQCLSA-N 0 0 315.373 0.817 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000249031077 396001782 /nfs/dbraw/zinc/00/17/82/396001782.db2.gz RFDIQLSSMMLKQE-WOPDTQHZSA-N 0 0 304.412 0.294 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000248632931 395991811 /nfs/dbraw/zinc/99/18/11/395991811.db2.gz IRMDQXJQTPJBCE-CQSZACIVSA-N 0 0 317.455 0.370 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000067180727 396022656 /nfs/dbraw/zinc/02/26/56/396022656.db2.gz QXXSTDMSBMBJBV-HNNXBMFYSA-N 0 0 324.402 0.418 10 0 DCAERN CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282292 396023214 /nfs/dbraw/zinc/02/32/14/396023214.db2.gz XHGUCYAIFWRYQR-QWHCGFSZSA-N 0 0 302.440 0.943 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000154015497 396028689 /nfs/dbraw/zinc/02/86/89/396028689.db2.gz WXXJTTKFGPUBSK-OLZOCXBDSA-N 0 0 317.349 0.796 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCC(=O)N(C)C ZINC000154088078 396031204 /nfs/dbraw/zinc/03/12/04/396031204.db2.gz AKUJWMCHOIARSV-LLVKDONJSA-N 0 0 322.413 0.843 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCC(=O)N(C)C ZINC000154087960 396031260 /nfs/dbraw/zinc/03/12/60/396031260.db2.gz AKUJWMCHOIARSV-NSHDSACASA-N 0 0 322.413 0.843 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000154252727 396034958 /nfs/dbraw/zinc/03/49/58/396034958.db2.gz OFWLQCHBGIFNAT-ZDUSSCGKSA-N 0 0 319.340 0.856 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000154611646 396039986 /nfs/dbraw/zinc/03/99/86/396039986.db2.gz IDPMDTIWLQOLBW-WDEREUQCSA-N 0 0 305.382 0.750 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000276976629 396041643 /nfs/dbraw/zinc/04/16/43/396041643.db2.gz SCWDFUPTYQKDHI-JQWIXIFHSA-N 0 0 303.405 0.484 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000154899753 396044853 /nfs/dbraw/zinc/04/48/53/396044853.db2.gz KQEIFEAGFGGTBL-NSHDSACASA-N 0 0 319.365 0.682 10 0 DCAERN [NH3+]C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000159296510 396066520 /nfs/dbraw/zinc/06/65/20/396066520.db2.gz PNXLORNOSSERQK-LBPRGKRZSA-N 0 0 316.810 0.967 10 0 DCAERN O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)N1CCOCC1 ZINC000152289793 396005765 /nfs/dbraw/zinc/00/57/65/396005765.db2.gz MTUIYRXXFAABMR-HNNXBMFYSA-N 0 0 305.378 0.784 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1nnc(C2CCC2)n1C ZINC000249357050 396006001 /nfs/dbraw/zinc/00/60/01/396006001.db2.gz LGVNWUQNRINNRO-AAEUAGOBSA-N 0 0 308.382 0.581 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)Nc1cccc(C)c1 ZINC000249422196 396008012 /nfs/dbraw/zinc/00/80/12/396008012.db2.gz XFYBXNHAYHVRIT-ZFWWWQNUSA-N 0 0 306.362 0.932 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000069113097 396070458 /nfs/dbraw/zinc/07/04/58/396070458.db2.gz QTXZYIMXXWSGEF-MNOVXSKESA-N 0 0 324.402 0.991 10 0 DCAERN CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CCCNC3=O)CC2=O)CC1 ZINC000066832736 396015193 /nfs/dbraw/zinc/01/51/93/396015193.db2.gz FBCIHINHKPBINT-GNRIBBGQSA-N 0 0 321.421 0.808 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@@H](O)C1(C)C)CC2 ZINC000251904417 396017913 /nfs/dbraw/zinc/01/79/13/396017913.db2.gz SYIRGTAZFFCWLL-GMTAPVOTSA-N 0 0 307.398 0.614 10 0 DCAERN CN1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1=O ZINC000152969872 396018596 /nfs/dbraw/zinc/01/85/96/396018596.db2.gz XEHMXOMIWSNKBV-UHFFFAOYSA-N 0 0 315.333 0.365 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)[C@H]1CCCN1c1nccs1 ZINC000163701474 396086927 /nfs/dbraw/zinc/08/69/27/396086927.db2.gz WULKWMXNKJLTOU-LLVKDONJSA-N 0 0 313.423 0.561 10 0 DCAERN O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCNC(=O)CC1 ZINC000069697878 396087068 /nfs/dbraw/zinc/08/70/68/396087068.db2.gz QRHFSGLSERHVBE-CYBMUJFWSA-N 0 0 323.299 0.806 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N(C)C(C)C)[C@H]2C1 ZINC000167468297 396089712 /nfs/dbraw/zinc/08/97/12/396089712.db2.gz GJICMLKXBOPYKL-AGIUHOORSA-N 0 0 306.428 0.840 10 0 DCAERN CC(C)CN1C(=O)c2cccn2C[C@H]1C(=O)N1CCN(C)CC1 ZINC000169780875 396091916 /nfs/dbraw/zinc/09/19/16/396091916.db2.gz CXZSUKDMBHRJBK-HNNXBMFYSA-N 0 0 318.421 0.743 10 0 DCAERN Cc1nnc([C@H]2COCCN2C(=O)C(=O)N2CCC(C)CC2)o1 ZINC000277902740 396093595 /nfs/dbraw/zinc/09/35/95/396093595.db2.gz GVXKAQUFMNKROE-GFCCVEGCSA-N 0 0 322.365 0.536 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)CCS1 ZINC000277919921 396095289 /nfs/dbraw/zinc/09/52/89/396095289.db2.gz SSEPDILAZLTBOJ-VIFPVBQESA-N 0 0 306.395 0.763 10 0 DCAERN O[C@@H](COCc1ccco1)CN1CCO[C@H](Cn2cncn2)C1 ZINC000069969413 396096207 /nfs/dbraw/zinc/09/62/07/396096207.db2.gz YJPVEXXILYLQJC-HIFRSBDPSA-N 0 0 322.365 0.150 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1)c1ccc2c(c1)NC(=O)CS2 ZINC000070161569 396100606 /nfs/dbraw/zinc/10/06/06/396100606.db2.gz DAFYLOGHYUNILG-SECBINFHSA-N 0 0 305.359 0.739 10 0 DCAERN O=C(NCCCn1cccn1)N1CCN(c2cccnn2)CC1 ZINC000171188143 396109771 /nfs/dbraw/zinc/10/97/71/396109771.db2.gz HVYCBYVTHBHPBI-UHFFFAOYSA-N 0 0 315.381 0.595 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000171294576 396113613 /nfs/dbraw/zinc/11/36/13/396113613.db2.gz KBLDNJOOPSSKAP-CQSZACIVSA-N 0 0 305.378 0.449 10 0 DCAERN O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@@H]1CCCOC1 ZINC000171567323 396118987 /nfs/dbraw/zinc/11/89/87/396118987.db2.gz RITKCUFMVUORCR-LLVKDONJSA-N 0 0 316.361 0.978 10 0 DCAERN COC(C)(C)C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000171590667 396119410 /nfs/dbraw/zinc/11/94/10/396119410.db2.gz PETMFPQIHNTBBS-UHFFFAOYSA-N 0 0 306.322 0.336 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000171650326 396121591 /nfs/dbraw/zinc/12/15/91/396121591.db2.gz YJFVHXNMEYFNEL-ZDUSSCGKSA-N 0 0 321.352 0.221 10 0 DCAERN CCCn1nccc1NC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000172217919 396129361 /nfs/dbraw/zinc/12/93/61/396129361.db2.gz GCPDCMCHBFDKCO-LBPRGKRZSA-N 0 0 309.370 0.662 10 0 DCAERN COc1ccnc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173880109 396136122 /nfs/dbraw/zinc/13/61/22/396136122.db2.gz BTCVEKQSSCVJFG-DOMZBBRYSA-N 0 0 305.378 0.883 10 0 DCAERN O=c1[n-]cnc(NC[C@@H]2CCCO2)c1I ZINC000162143410 396079202 /nfs/dbraw/zinc/07/92/02/396079202.db2.gz IABBJVPPEFDWQX-LURJTMIESA-N 0 0 321.118 0.965 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000162609683 396082335 /nfs/dbraw/zinc/08/23/35/396082335.db2.gz FDTUKWGBRSFYMI-UHFFFAOYSA-N 0 0 317.393 0.809 10 0 DCAERN Nc1nccnc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000162948524 396084795 /nfs/dbraw/zinc/08/47/95/396084795.db2.gz ZEYXFKMZHGANNS-UHFFFAOYSA-N 0 0 309.333 0.816 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000175907102 396145350 /nfs/dbraw/zinc/14/53/50/396145350.db2.gz JMAGQZKNNWOTNF-GFCCVEGCSA-N 0 0 307.325 0.822 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)cn1 ZINC000176768011 396161070 /nfs/dbraw/zinc/16/10/70/396161070.db2.gz MHGPIRIIETXSDM-GFCCVEGCSA-N 0 0 300.318 0.999 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)CN1CCOCC1=O)C2 ZINC000279267758 396161869 /nfs/dbraw/zinc/16/18/69/396161869.db2.gz KDHMQGAAHDGOAQ-UHFFFAOYSA-N 0 0 320.393 0.287 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176819369 396161975 /nfs/dbraw/zinc/16/19/75/396161975.db2.gz OOEQBMQTMWRHOO-GFCCVEGCSA-N 0 0 320.267 0.388 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000177297653 396171070 /nfs/dbraw/zinc/17/10/70/396171070.db2.gz XUNQQXKVCVNJTH-ZFWWWQNUSA-N 0 0 304.394 0.944 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000177606985 396179840 /nfs/dbraw/zinc/17/98/40/396179840.db2.gz NEJBYDKPYDIBQS-NWDGAFQWSA-N 0 0 323.368 0.678 10 0 DCAERN CC(C)CCc1nc(CS(=O)(=O)C[C@H](O)CO)cs1 ZINC000177671421 396181158 /nfs/dbraw/zinc/18/11/58/396181158.db2.gz CTFGBINYWPJOTJ-LLVKDONJSA-N 0 0 307.437 1.000 10 0 DCAERN O=C(NCc1ccccc1OCCO)[C@H]1CC(F)(F)CN1 ZINC000263296025 396211754 /nfs/dbraw/zinc/21/17/54/396211754.db2.gz WHSSMHVBZWZPKN-LLVKDONJSA-N 0 0 300.305 0.671 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCN(Cc2ccon2)CC1 ZINC000075857181 396188027 /nfs/dbraw/zinc/18/80/27/396188027.db2.gz RWLVNMTXPSOKPU-UHFFFAOYSA-N 0 0 323.397 0.274 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC(F)(F)CN1 ZINC000262944956 396194098 /nfs/dbraw/zinc/19/40/98/396194098.db2.gz JCIVUSHBUUNMLV-LLVKDONJSA-N 0 0 312.320 0.854 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2ccn3ccnc3c2)C1=O ZINC000178378752 396195037 /nfs/dbraw/zinc/19/50/37/396195037.db2.gz VEBSZDDNGZMGMR-UHFFFAOYSA-N 0 0 315.333 0.281 10 0 DCAERN O=C(CN1CCOC[C@@H]1C[C@H](O)c1ccco1)NCC1CC1 ZINC000178401916 396195639 /nfs/dbraw/zinc/19/56/39/396195639.db2.gz LUUCCHQLQLPJKR-KBPBESRZSA-N 0 0 308.378 0.930 10 0 DCAERN Cc1nc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C)s1 ZINC000178876687 396212363 /nfs/dbraw/zinc/21/23/63/396212363.db2.gz BURLFCDCYVGDND-JTQLQIEISA-N 0 0 317.436 0.771 10 0 DCAERN CSCC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000178657491 396203232 /nfs/dbraw/zinc/20/32/32/396203232.db2.gz SYSAMTSZDZIMAQ-UHFFFAOYSA-N 0 0 308.450 0.848 10 0 DCAERN Cn1c(CNC(=O)C2=NN(C)C(=O)CC2)nnc1C1CCC1 ZINC000184008942 396281248 /nfs/dbraw/zinc/28/12/48/396281248.db2.gz YRUVDYQFVVKDCS-UHFFFAOYSA-N 0 0 304.354 0.307 10 0 DCAERN C[C@@H](CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000184011352 396281255 /nfs/dbraw/zinc/28/12/55/396281255.db2.gz ZPNIYJBTACWUTQ-RYUDHWBXSA-N 0 0 324.450 0.902 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)NCc1cn2c(n1)CCCC2 ZINC000263875546 396238859 /nfs/dbraw/zinc/23/88/59/396238859.db2.gz VHUKXIUPWCNOGJ-UHFFFAOYSA-N 0 0 320.393 0.475 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cscn2)CC1 ZINC000182014557 396245004 /nfs/dbraw/zinc/24/50/04/396245004.db2.gz DNSKYGBJAJISCP-ZDUSSCGKSA-N 0 0 312.439 0.784 10 0 DCAERN O=C(NCCCn1ccnn1)NCc1ccc2c(c1)OCCO2 ZINC000182041894 396245962 /nfs/dbraw/zinc/24/59/62/396245962.db2.gz GFRXLWZESQYEMI-UHFFFAOYSA-N 0 0 317.349 0.939 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)C(=O)NCc1ccco1 ZINC000182385216 396250049 /nfs/dbraw/zinc/25/00/49/396250049.db2.gz RVCQCXRDGHWPOV-LLVKDONJSA-N 0 0 320.353 0.265 10 0 DCAERN O=C(NCCCn1ccnn1)N(CCO)Cc1ccccc1 ZINC000182470387 396250395 /nfs/dbraw/zinc/25/03/95/396250395.db2.gz ATLBHJYLJFPJMJ-UHFFFAOYSA-N 0 0 303.366 0.872 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCCn2ccnn2)CC[N@@H+]1C[C@@H](C)O ZINC000182479414 396250920 /nfs/dbraw/zinc/25/09/20/396250920.db2.gz KZNKVQYRWWLXOO-ZIAGYGMSSA-N 0 0 324.429 0.155 10 0 DCAERN Cn1ncnc1CNc1ncnc2c1c(Br)nn2C ZINC000078677400 396251907 /nfs/dbraw/zinc/25/19/07/396251907.db2.gz OWHGHRUSNMHLIC-UHFFFAOYSA-N 0 0 323.158 0.866 10 0 DCAERN COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C2CN(C(C)=O)C2)c1 ZINC000281988757 396254348 /nfs/dbraw/zinc/25/43/48/396254348.db2.gz AHGHATSFYTWZGF-HOCLYGCPSA-N 0 0 318.373 0.808 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NC[C@H]3C[C@@H]3C)CC2)n1 ZINC000264108162 396255607 /nfs/dbraw/zinc/25/56/07/396255607.db2.gz MAUPRINPAGPVEK-NWDGAFQWSA-N 0 0 305.382 0.973 10 0 DCAERN Cc1cc(C(=O)NCCCn2ccnn2)ccc1-n1cncn1 ZINC000182972315 396257251 /nfs/dbraw/zinc/25/72/51/396257251.db2.gz QXDJQJXBBAWUOV-UHFFFAOYSA-N 0 0 311.349 0.987 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc2cc(C)nn2c1C ZINC000264148727 396257633 /nfs/dbraw/zinc/25/76/33/396257633.db2.gz GRHMWPWAGDPUAI-GFCCVEGCSA-N 0 0 301.350 0.697 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCCn3ccnn3)no2)c1 ZINC000183005462 396258170 /nfs/dbraw/zinc/25/81/70/396258170.db2.gz RTOGKSAEDDBODY-UHFFFAOYSA-N 0 0 315.337 0.639 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)NCCCn1ccnn1 ZINC000182981849 396258517 /nfs/dbraw/zinc/25/85/17/396258517.db2.gz YUVZIXTVMKJAES-UHFFFAOYSA-N 0 0 312.337 0.138 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@H]1CCN(c2ccccn2)C1 ZINC000183056882 396259823 /nfs/dbraw/zinc/25/98/23/396259823.db2.gz NEVGBRWIPUGTKG-ZDUSSCGKSA-N 0 0 315.381 0.641 10 0 DCAERN O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)N1CCCC1 ZINC000264195088 396261535 /nfs/dbraw/zinc/26/15/35/396261535.db2.gz NSJRIOMLMCRKJN-GFCCVEGCSA-N 0 0 311.411 0.376 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000282113968 396264360 /nfs/dbraw/zinc/26/43/60/396264360.db2.gz QCSLYZOUSFYEKG-ZBFHGGJFSA-N 0 0 321.396 0.931 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(OC)c2)CCO1 ZINC000183586380 396271882 /nfs/dbraw/zinc/27/18/82/396271882.db2.gz JEKLBFVDPJNYEQ-ILXRZTDVSA-N 0 0 318.373 0.772 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000183627237 396272744 /nfs/dbraw/zinc/27/27/44/396272744.db2.gz XUOCPSSTPWWCFW-SNVBAGLBSA-N 0 0 308.382 0.901 10 0 DCAERN Cc1cc(NC(=O)NCCCn2ccnn2)ccc1C(N)=O ZINC000183658234 396272813 /nfs/dbraw/zinc/27/28/13/396272813.db2.gz DLSJSLREYWLWAM-UHFFFAOYSA-N 0 0 302.338 0.897 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)[nH]1 ZINC000183699642 396273231 /nfs/dbraw/zinc/27/32/31/396273231.db2.gz PZPBUQOQZYESLC-LLVKDONJSA-N 0 0 304.354 0.243 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1S(=O)(=O)N(C)C ZINC000183675635 396273435 /nfs/dbraw/zinc/27/34/35/396273435.db2.gz RWWVBJYLDZXHDH-LBPRGKRZSA-N 0 0 315.370 0.413 10 0 DCAERN O=S(=O)(NCc1cnc(N2CCOCC2)c(F)c1)C1CC1 ZINC000183750121 396273849 /nfs/dbraw/zinc/27/38/49/396273849.db2.gz FPCROMORILRQFO-UHFFFAOYSA-N 0 0 315.370 0.639 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183742142 396273858 /nfs/dbraw/zinc/27/38/58/396273858.db2.gz QJMSLQIYYQIMDX-JTQLQIEISA-N 0 0 324.356 0.198 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C)C2)n1 ZINC000282245738 396274901 /nfs/dbraw/zinc/27/49/01/396274901.db2.gz OIAGFELPMJYFMQ-MVWJERBFSA-N 0 0 321.381 0.934 10 0 DCAERN O=C(CNC(=O)NC[C@H](CO)c1ccccc1)NCC1CC1 ZINC000183789780 396275560 /nfs/dbraw/zinc/27/55/60/396275560.db2.gz GMFLFLYIXGDGQQ-CQSZACIVSA-N 0 0 305.378 0.588 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CC(C)(C)O1 ZINC000264407329 396277360 /nfs/dbraw/zinc/27/73/60/396277360.db2.gz IHZZUHOWVNWTDC-SECBINFHSA-N 0 0 304.354 0.434 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077205362 396214958 /nfs/dbraw/zinc/21/49/58/396214958.db2.gz XCLQKQOPTOCWIQ-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C[C@H](O)C(C)C)C2=O)n(C)n1 ZINC000178967394 396217189 /nfs/dbraw/zinc/21/71/89/396217189.db2.gz GWBRZZFUUICCPY-STQMWFEESA-N 0 0 322.409 0.747 10 0 DCAERN C/C=C/C[S@](=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000077479215 396223910 /nfs/dbraw/zinc/22/39/10/396223910.db2.gz NCQGFVUIBZEPAW-TWKPZUECSA-N 0 0 324.406 0.149 10 0 DCAERN CC(C)n1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000280833463 396224467 /nfs/dbraw/zinc/22/44/67/396224467.db2.gz VJITYZPUDGSNPQ-SNVBAGLBSA-N 0 0 315.399 0.619 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180103288 396230757 /nfs/dbraw/zinc/23/07/57/396230757.db2.gz UOONLEJZGFUWFR-UKRRQHHQSA-N 0 0 310.419 0.983 10 0 DCAERN CC(=O)c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1Cl ZINC000180582335 396232780 /nfs/dbraw/zinc/23/27/80/396232780.db2.gz QRELEDPVILZRQC-UHFFFAOYSA-N 0 0 321.724 0.872 10 0 DCAERN CCCN(C(=O)N[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000180545883 396232911 /nfs/dbraw/zinc/23/29/11/396232911.db2.gz JHASKVZKFXQWBZ-RYUDHWBXSA-N 0 0 304.412 0.774 10 0 DCAERN O=C(CCn1cccn1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185023489 396314260 /nfs/dbraw/zinc/31/42/60/396314260.db2.gz MTUAOLHMPNISLR-CQSZACIVSA-N 0 0 313.361 0.980 10 0 DCAERN COC(CN(CCCO)Cc1cc(-c2cnn(C)c2)no1)OC ZINC000185059166 396316074 /nfs/dbraw/zinc/31/60/74/396316074.db2.gz RYNHCPMTKTZILZ-UHFFFAOYSA-N 0 0 324.381 0.878 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000283194268 396317754 /nfs/dbraw/zinc/31/77/54/396317754.db2.gz FZVLIEMVMSAYMI-NEPJUHHUSA-N 0 0 319.409 0.982 10 0 DCAERN COCCCCS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000185097753 396317904 /nfs/dbraw/zinc/31/79/04/396317904.db2.gz CTYTVWWSUKGRMR-KGLIPLIRSA-N 0 0 320.455 0.395 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000265448051 396318101 /nfs/dbraw/zinc/31/81/01/396318101.db2.gz CBQVHLBMDPVFNC-VIFPVBQESA-N 0 0 303.771 0.499 10 0 DCAERN CN1N=C(C(=O)N2CCN(c3cccs3)C(=O)C2)CCC1=O ZINC000184082770 396284174 /nfs/dbraw/zinc/28/41/74/396284174.db2.gz FHWGTYOEQVZMJY-UHFFFAOYSA-N 0 0 320.374 0.532 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 ZINC000080759047 396285782 /nfs/dbraw/zinc/28/57/82/396285782.db2.gz HPFWBHLFHGZUBJ-VHSXEESVSA-N 0 0 321.424 0.099 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277164 396289271 /nfs/dbraw/zinc/28/92/71/396289271.db2.gz JLSNWPVGXJICPL-ZDUSSCGKSA-N 0 0 321.425 0.732 10 0 DCAERN CC(=O)NCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184252144 396289531 /nfs/dbraw/zinc/28/95/31/396289531.db2.gz VEMVFABMQMENEO-UHFFFAOYSA-N 0 0 305.382 0.439 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185151054 396319730 /nfs/dbraw/zinc/31/97/30/396319730.db2.gz NMTTWBPGQHJHTJ-YQQAZPJKSA-N 0 0 324.421 0.648 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)c1nnc2ccccn21 ZINC000184356678 396292197 /nfs/dbraw/zinc/29/21/97/396292197.db2.gz OKODDBAZJHXWBI-GARJFASQSA-N 0 0 310.379 0.887 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCO[C@]3(CCOC3)C2)cn1 ZINC000184440041 396295033 /nfs/dbraw/zinc/29/50/33/396295033.db2.gz IEXVOCKWSKBRBK-OAHLLOKOSA-N 0 0 308.382 0.554 10 0 DCAERN COCCCCS(=O)(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000184480343 396296595 /nfs/dbraw/zinc/29/65/95/396296595.db2.gz OSUHBACWNVSLBS-CHWSQXEVSA-N 0 0 308.444 0.442 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000184545119 396298386 /nfs/dbraw/zinc/29/83/86/396298386.db2.gz XPRVDPSJZODGFP-UHFFFAOYSA-N 0 0 305.338 0.436 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000184566056 396298403 /nfs/dbraw/zinc/29/84/03/396298403.db2.gz KZRDTOFRVLVPOZ-UHFFFAOYSA-N 0 0 308.444 0.397 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCN(c3cccs3)C(=O)C2)C1=O ZINC000184662146 396301381 /nfs/dbraw/zinc/30/13/81/396301381.db2.gz MRMBWVZNKGWFPW-SNVBAGLBSA-N 0 0 322.390 0.337 10 0 DCAERN CCN1c2ccc(NC(=O)N[C@H](C)C(N)=O)cc2CCC1=O ZINC000184668551 396301738 /nfs/dbraw/zinc/30/17/38/396301738.db2.gz HIPTWZGIXJTHTC-SECBINFHSA-N 0 0 304.350 0.981 10 0 DCAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000184754285 396304586 /nfs/dbraw/zinc/30/45/86/396304586.db2.gz LYGWNRMSJOHSPJ-RYUDHWBXSA-N 0 0 318.439 0.430 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000283294823 396327283 /nfs/dbraw/zinc/32/72/83/396327283.db2.gz CMTMJVUBGLSESV-VIFPVBQESA-N 0 0 300.384 0.139 10 0 DCAERN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185241219 396322248 /nfs/dbraw/zinc/32/22/48/396322248.db2.gz YPAPXKHECILUPS-WCQYABFASA-N 0 0 308.382 0.548 10 0 DCAERN CCOc1cc(C(=O)N2CC(NC(=O)COC)C2)ccc1C ZINC000185241919 396322879 /nfs/dbraw/zinc/32/28/79/396322879.db2.gz HVXINTDFKHXZCO-UHFFFAOYSA-N 0 0 306.362 0.981 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000185402290 396326605 /nfs/dbraw/zinc/32/66/05/396326605.db2.gz NGFZZYHPKWROCT-UHFFFAOYSA-N 0 0 323.368 0.915 10 0 DCAERN O=C(Cn1nc2cnccn2c1=O)Nc1cc(F)cc(F)c1 ZINC000185548803 396330069 /nfs/dbraw/zinc/33/00/69/396330069.db2.gz CYXPRSYXROZHLQ-UHFFFAOYSA-N 0 0 305.244 0.808 10 0 DCAERN C[C@@H](c1nccs1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000185784007 396335176 /nfs/dbraw/zinc/33/51/76/396335176.db2.gz PHNMHMQMSSXJKY-WDEREUQCSA-N 0 0 308.407 0.484 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185850497 396335902 /nfs/dbraw/zinc/33/59/02/396335902.db2.gz JSRWDJSIUVSGPI-IUODEOHRSA-N 0 0 311.332 0.962 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC3(CO)CCC3)C2)cn1 ZINC000186298283 396346617 /nfs/dbraw/zinc/34/66/17/396346617.db2.gz IRGSMHHOXIIJFR-LBPRGKRZSA-N 0 0 307.398 0.603 10 0 DCAERN COc1ccc(F)cc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000186566218 396352609 /nfs/dbraw/zinc/35/26/09/396352609.db2.gz PBUOFLYDDSTUHI-ZDUSSCGKSA-N 0 0 311.357 0.964 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285791669 396353965 /nfs/dbraw/zinc/35/39/65/396353965.db2.gz LZVREKRWDVABRF-GHMZBOCLSA-N 0 0 316.365 0.579 10 0 DCAERN CCC1(CC)CN(C(=O)CN(C)C(=O)COC)CC[S@@]1=O ZINC000186728610 396356374 /nfs/dbraw/zinc/35/63/74/396356374.db2.gz ZHMHVHRIQCBEGW-NRFANRHFSA-N 0 0 318.439 0.241 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCC1(CO)CCCC1 ZINC000187336150 396368205 /nfs/dbraw/zinc/36/82/05/396368205.db2.gz FGZSDAVTBJYQFJ-UHFFFAOYSA-N 0 0 308.382 0.901 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)n1 ZINC000187382620 396368850 /nfs/dbraw/zinc/36/88/50/396368850.db2.gz YGNDYOMZPRFFRA-MRXNPFEDSA-N 0 0 320.393 0.849 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCCn3ncnc32)C1)C1CC1 ZINC000187481180 396370248 /nfs/dbraw/zinc/37/02/48/396370248.db2.gz AFPHXBPTLBTAKE-NSHDSACASA-N 0 0 304.354 0.033 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000187568147 396371256 /nfs/dbraw/zinc/37/12/56/396371256.db2.gz RDMOILBUTQTOLQ-LBPRGKRZSA-N 0 0 320.397 0.223 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)o1 ZINC000265908176 396349266 /nfs/dbraw/zinc/34/92/66/396349266.db2.gz XPKBXHWYFUZXGR-IUCAKERBSA-N 0 0 302.352 0.437 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NCC(=O)NC2CC2)CC(=O)N1C1CC1 ZINC000285364757 396349349 /nfs/dbraw/zinc/34/93/49/396349349.db2.gz XYEDORWRVBVLTG-MLGOLLRUSA-N 0 0 317.393 0.093 10 0 DCAERN C[C@H]1OCCN(C(=O)c2cccc3c2OCCO3)[C@@H]1C(N)=O ZINC000285356976 396349558 /nfs/dbraw/zinc/34/95/58/396349558.db2.gz NFWIHZGNRFKBLO-SKDRFNHKSA-N 0 0 306.318 0.173 10 0 DCAERN C[C@H](C(=O)N1CCCN(c2ccccn2)CC1)n1cncn1 ZINC000186433228 396350051 /nfs/dbraw/zinc/35/00/51/396350051.db2.gz NOTMAGLMZXVNIQ-CYBMUJFWSA-N 0 0 300.366 0.973 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000285700352 396351669 /nfs/dbraw/zinc/35/16/69/396351669.db2.gz WXDAOASDAGPATC-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000188365456 396381706 /nfs/dbraw/zinc/38/17/06/396381706.db2.gz IPLVQHJPXXGXGD-KBPBESRZSA-N 0 0 301.431 0.756 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000188356867 396381805 /nfs/dbraw/zinc/38/18/05/396381805.db2.gz BRRGSYXBOMHFKA-UONOGXRCSA-N 0 0 301.431 0.756 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CCOCC(F)F)CCO2)[nH]1 ZINC000188399971 396381909 /nfs/dbraw/zinc/38/19/09/396381909.db2.gz ZHIDFJMTDUANQG-SECBINFHSA-N 0 0 318.324 0.939 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)C1 ZINC000188684683 396384960 /nfs/dbraw/zinc/38/49/60/396384960.db2.gz VBFNGKRNVKTENM-JTQLQIEISA-N 0 0 305.382 0.783 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1CCO ZINC000188787166 396386361 /nfs/dbraw/zinc/38/63/61/396386361.db2.gz ZSVVJMVVTNAMDE-LBPRGKRZSA-N 0 0 316.361 0.875 10 0 DCAERN CCOCCS(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000189163598 396391011 /nfs/dbraw/zinc/39/10/11/396391011.db2.gz XZKHITVZUNZZGJ-UHFFFAOYSA-N 0 0 324.406 0.970 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000193079853 396443681 /nfs/dbraw/zinc/44/36/81/396443681.db2.gz PNUDQUYWQVBMCF-RYUDHWBXSA-N 0 0 305.382 0.390 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1=O ZINC000189311162 396393437 /nfs/dbraw/zinc/39/34/37/396393437.db2.gz SDRCEKWBGZLWEJ-JSGCOSHPSA-N 0 0 310.394 0.699 10 0 DCAERN NS(=O)(=O)CCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189660765 396397091 /nfs/dbraw/zinc/39/70/91/396397091.db2.gz GNLUQKGXKCHWQV-UHFFFAOYSA-N 0 0 313.427 0.088 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCN(C)C(=O)C1 ZINC000189742386 396398113 /nfs/dbraw/zinc/39/81/13/396398113.db2.gz GBVIUPCLNIEYDK-UHFFFAOYSA-N 0 0 317.349 0.688 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000189901895 396400391 /nfs/dbraw/zinc/40/03/91/396400391.db2.gz SZESZFXPLYLITE-VXGBXAGGSA-N 0 0 308.382 0.919 10 0 DCAERN CCN1CCCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)CC1=O ZINC000190404876 396405993 /nfs/dbraw/zinc/40/59/93/396405993.db2.gz OBJOWWPMBMMSTF-CYBMUJFWSA-N 0 0 307.394 0.468 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCCN(C)C(=O)C2)CCCC1 ZINC000190385915 396406061 /nfs/dbraw/zinc/40/60/61/396406061.db2.gz SEWPXAYXHDPUOP-UHFFFAOYSA-N 0 0 310.398 0.309 10 0 DCAERN CCN1CN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)CC1=O ZINC000190577272 396408135 /nfs/dbraw/zinc/40/81/35/396408135.db2.gz NGQVPASWSJEIGJ-CQSZACIVSA-N 0 0 303.362 0.902 10 0 DCAERN CCN1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1=O ZINC000190562933 396408461 /nfs/dbraw/zinc/40/84/61/396408461.db2.gz FWEZHNKJDLDOMU-UHFFFAOYSA-N 0 0 314.345 0.818 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cc1F ZINC000190675343 396409444 /nfs/dbraw/zinc/40/94/44/396409444.db2.gz DFTLKLOJAJCIEW-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772362 396410934 /nfs/dbraw/zinc/41/09/34/396410934.db2.gz MFXBXYGEPCIVOQ-UONOGXRCSA-N 0 0 313.442 0.860 10 0 DCAERN CCC(C)(C)NC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190790603 396411787 /nfs/dbraw/zinc/41/17/87/396411787.db2.gz ZGQFZPOQZRFDIR-ZDUSSCGKSA-N 0 0 313.442 0.860 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2cc(C)no2)CC1=O ZINC000190804537 396411932 /nfs/dbraw/zinc/41/19/32/396411932.db2.gz JDCIBAHOEUGJAC-UHFFFAOYSA-N 0 0 310.354 0.102 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000191013848 396413577 /nfs/dbraw/zinc/41/35/77/396413577.db2.gz XEPMFGUUIFEEBA-GXSJLCMTSA-N 0 0 308.386 0.587 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2cccnc2Cl)CC1=O ZINC000191039877 396414521 /nfs/dbraw/zinc/41/45/21/396414521.db2.gz YTJZJOWEGPQZHW-UHFFFAOYSA-N 0 0 310.741 0.364 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191039340 396414534 /nfs/dbraw/zinc/41/45/34/396414534.db2.gz KDIIDOXPKYCMFI-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN COCc1ccccc1CNC(=O)CN1CCCN(C)C(=O)C1 ZINC000191075945 396415115 /nfs/dbraw/zinc/41/51/15/396415115.db2.gz VHQHYTLKHIRQRI-UHFFFAOYSA-N 0 0 319.405 0.613 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000191344966 396418120 /nfs/dbraw/zinc/41/81/20/396418120.db2.gz LFSDEAXGHXAYIY-NSHDSACASA-N 0 0 318.377 0.248 10 0 DCAERN CCN(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000191382547 396419064 /nfs/dbraw/zinc/41/90/64/396419064.db2.gz BKCMHDCUPFBISN-ZDUSSCGKSA-N 0 0 312.439 0.661 10 0 DCAERN CN1CCCN(C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000191932265 396427165 /nfs/dbraw/zinc/42/71/65/396427165.db2.gz HABGQXIKIXVADH-UHFFFAOYSA-N 0 0 318.377 0.290 10 0 DCAERN CC(C)NC(=O)CNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000192526503 396432030 /nfs/dbraw/zinc/43/20/30/396432030.db2.gz LSWWTAYUUCNTOV-UHFFFAOYSA-N 0 0 312.395 0.846 10 0 DCAERN CN1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)c2ccccc21 ZINC000192829650 396438826 /nfs/dbraw/zinc/43/88/26/396438826.db2.gz ICCLCHYMPPFEQW-DFBGVHRSSA-N 0 0 317.389 0.759 10 0 DCAERN Cn1cccc1C(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000192973311 396441952 /nfs/dbraw/zinc/44/19/52/396441952.db2.gz RXCSQRBCRBTMHZ-CQSZACIVSA-N 0 0 319.405 0.779 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000193014745 396442157 /nfs/dbraw/zinc/44/21/57/396442157.db2.gz FBOAFVSBELXNHF-UHFFFAOYSA-N 0 0 318.255 0.586 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187927853 396376264 /nfs/dbraw/zinc/37/62/64/396376264.db2.gz HPFCVHHIUWHEPH-ZCFIWIBFSA-N 0 0 300.302 0.477 10 0 DCAERN CCN1CCCN(C(=O)c2cccc(-n3cncn3)c2)CC1=O ZINC000188074164 396378387 /nfs/dbraw/zinc/37/83/87/396378387.db2.gz LNYJJCRIILKCOG-UHFFFAOYSA-N 0 0 313.361 0.962 10 0 DCAERN CN1CCCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1=O ZINC000188160211 396379853 /nfs/dbraw/zinc/37/98/53/396379853.db2.gz VASQCFKNWREIME-UHFFFAOYSA-N 0 0 313.361 0.636 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000188216449 396380497 /nfs/dbraw/zinc/38/04/97/396380497.db2.gz TXXOOICZKUVUNG-GFCCVEGCSA-N 0 0 318.377 0.890 10 0 DCAERN Cn1cc(NC(=O)C(=O)NCCOCC2CCC2)ccc1=O ZINC000515725842 396508115 /nfs/dbraw/zinc/50/81/15/396508115.db2.gz UHGDRTRSRFJWRW-UHFFFAOYSA-N 0 0 307.350 0.257 10 0 DCAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@@H](O)C1 ZINC000269812136 396448157 /nfs/dbraw/zinc/44/81/57/396448157.db2.gz QUBFRLQTTLTXJG-MRVPVSSYSA-N 0 0 319.766 0.867 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N2CCN(CC(F)F)CC2)c1C ZINC000269887247 396453705 /nfs/dbraw/zinc/45/37/05/396453705.db2.gz KTBFWGYMEKPBAI-UHFFFAOYSA-N 0 0 314.336 0.420 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)N1CCO[C@@H](CO)C1 ZINC000270113525 396461596 /nfs/dbraw/zinc/46/15/96/396461596.db2.gz ZZWCLQWMVARCNP-CHWSQXEVSA-N 0 0 306.366 0.063 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)n1 ZINC000371782797 396476459 /nfs/dbraw/zinc/47/64/59/396476459.db2.gz BFYSUINUNVCDCA-AWEZNQCLSA-N 0 0 304.394 0.822 10 0 DCAERN O=C(c1cccc2c1OCCO2)N1CCN2CCOC[C@H]2C1 ZINC000371795167 396476889 /nfs/dbraw/zinc/47/68/89/396476889.db2.gz KJNOYFBALHRCJW-GFCCVEGCSA-N 0 0 304.346 0.614 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)N1CCc2sccc2C1 ZINC000371813903 396477619 /nfs/dbraw/zinc/47/76/19/396477619.db2.gz BTTPMCLXPVOAAU-CQSZACIVSA-N 0 0 321.446 0.649 10 0 DCAERN O=S(=O)(CCCN1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000371830471 396478090 /nfs/dbraw/zinc/47/80/90/396478090.db2.gz ZHJBUISQHJQAIE-HNNXBMFYSA-N 0 0 324.446 0.867 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1=O ZINC000371861862 396479122 /nfs/dbraw/zinc/47/91/22/396479122.db2.gz YGFUIAHJPDCYSC-VOAKCMCISA-N 0 0 322.409 0.304 10 0 DCAERN O=C(NCCc1cccc(O)c1)N1CCN2CCOC[C@@H]2C1 ZINC000371985850 396481579 /nfs/dbraw/zinc/48/15/79/396481579.db2.gz OZIPNGHPUHSNSY-AWEZNQCLSA-N 0 0 305.378 0.661 10 0 DCAERN CC(C)n1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000580130870 396488894 /nfs/dbraw/zinc/48/88/94/396488894.db2.gz OSDWGKLQWYICGW-CQSZACIVSA-N 0 0 307.398 0.690 10 0 DCAERN CO[C@](C)(CO)CNc1ncc(I)cn1 ZINC000594590143 396489409 /nfs/dbraw/zinc/48/94/09/396489409.db2.gz USBVFUSERCFEIN-VIFPVBQESA-N 0 0 323.134 0.891 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000372161755 396493745 /nfs/dbraw/zinc/49/37/45/396493745.db2.gz AGQXUEFSEYMPQB-NSHDSACASA-N 0 0 305.382 0.753 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511340 396523210 /nfs/dbraw/zinc/52/32/10/396523210.db2.gz DXEDOKFYZKOJAE-JQWIXIFHSA-N 0 0 301.362 0.550 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)N1CC(C)(C(N)=O)C1 ZINC000581069056 396523276 /nfs/dbraw/zinc/52/32/76/396523276.db2.gz CTSJPARQZXUADQ-UHFFFAOYSA-N 0 0 316.361 0.935 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000372587187 396530144 /nfs/dbraw/zinc/53/01/44/396530144.db2.gz VNDOSZIBYJPXMJ-FDYHWXHSSA-N 0 0 323.393 0.590 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2nn(C)cc2Br)C1 ZINC000292758058 396567674 /nfs/dbraw/zinc/56/76/74/396567674.db2.gz VJZFYQCTHVXCJV-SSDOTTSWSA-N 0 0 316.155 0.818 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000530411110 396577113 /nfs/dbraw/zinc/57/71/13/396577113.db2.gz ACYANOYFKXMQHB-YNEHKIRRSA-N 0 0 310.398 0.799 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000292943570 396577530 /nfs/dbraw/zinc/57/75/30/396577530.db2.gz DLYSMKKVKOKMMH-UHFFFAOYSA-N 0 0 316.361 0.588 10 0 DCAERN CCCc1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)n(C)n1 ZINC000373383416 396587395 /nfs/dbraw/zinc/58/73/95/396587395.db2.gz NHVTZYOITJWVLA-ZDUSSCGKSA-N 0 0 307.398 0.921 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)N[C@@H]3CC(=O)N(C)C3)CC2)n1 ZINC000373258877 396579690 /nfs/dbraw/zinc/57/96/90/396579690.db2.gz IZMUHRRDANMJNR-CYBMUJFWSA-N 0 0 317.393 0.905 10 0 DCAERN Cn1nnc(CNC(=O)CCc2cc3ccccc3[nH]c2=O)n1 ZINC000562359804 396658890 /nfs/dbraw/zinc/65/88/90/396658890.db2.gz JHFHLXIJQUPOPA-UHFFFAOYSA-N 0 0 312.333 0.713 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@@]2(C)CO)[nH]n1 ZINC000562272510 396654547 /nfs/dbraw/zinc/65/45/47/396654547.db2.gz ZSBIFGMJRSVMOU-BONVTDFDSA-N 0 0 308.382 0.139 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC[C@@H]1O ZINC000373546153 396598515 /nfs/dbraw/zinc/59/85/15/396598515.db2.gz XOVTVENUBFAVQY-RTXFEEFZSA-N 0 0 312.435 0.917 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000373636954 396604187 /nfs/dbraw/zinc/60/41/87/396604187.db2.gz GORYZPHKBRJEJF-DCAQKATOSA-N 0 0 307.416 0.133 10 0 DCAERN CC1CCC(OCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000373656022 396605109 /nfs/dbraw/zinc/60/51/09/396605109.db2.gz KYSAMSLNKBWUAH-ZEPSKSRBSA-N 0 0 323.393 0.782 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000560485018 396616913 /nfs/dbraw/zinc/61/69/13/396616913.db2.gz NFFBKNIZEHTPNP-CAOSSQGBSA-N 0 0 315.410 0.423 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000374490208 396667401 /nfs/dbraw/zinc/66/74/01/396667401.db2.gz VWWZZJDOZHDCFO-UHFFFAOYSA-N 0 0 306.318 0.431 10 0 DCAERN CCOC(=O)C1(C(=O)N2CC(=O)N(C3CC3)C2)CCOCC1 ZINC000586816341 396667641 /nfs/dbraw/zinc/66/76/41/396667641.db2.gz GFHCTASMNLFDBM-UHFFFAOYSA-N 0 0 310.350 0.137 10 0 DCAERN COC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000366083132 292086045 /nfs/dbraw/zinc/08/60/45/292086045.db2.gz JKWGFTXBSCFAFA-CQSZACIVSA-N 0 0 309.366 0.536 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000375312016 396726515 /nfs/dbraw/zinc/72/65/15/396726515.db2.gz YCQJHEUXGFPTJU-HNNXBMFYSA-N 0 0 317.389 0.425 10 0 DCAERN Cn1nnnc1SCCC(=O)NCc1cn2c(n1)CCCC2 ZINC000588887169 396697472 /nfs/dbraw/zinc/69/74/72/396697472.db2.gz YGBUGVIITDMZKF-UHFFFAOYSA-N 0 0 321.410 0.542 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)n1 ZINC000374967437 396701452 /nfs/dbraw/zinc/70/14/52/396701452.db2.gz ZIRKSYRXTINXSS-CYBMUJFWSA-N 0 0 302.378 0.969 10 0 DCAERN Cc1cnc(C)c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739083 396713259 /nfs/dbraw/zinc/71/32/59/396713259.db2.gz KHOPZNZPTSBLPX-NSHDSACASA-N 0 0 301.354 0.625 10 0 DCAERN COC(=O)Cc1occc1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000589443110 396714564 /nfs/dbraw/zinc/71/45/64/396714564.db2.gz UOZNHIXCKYXOPB-UHFFFAOYSA-N 0 0 306.318 0.442 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](Cc3noc(C)n3)C2)nn1 ZINC000301429971 396716493 /nfs/dbraw/zinc/71/64/93/396716493.db2.gz JFFWIPWCYFJYJT-LLVKDONJSA-N 0 0 316.365 0.987 10 0 DCAERN Cc1nnc2ccc(N3CCN(c4cncc(C)n4)CC3)nn12 ZINC000302223365 396718065 /nfs/dbraw/zinc/71/80/65/396718065.db2.gz NMHZQZRTNZUNBQ-UHFFFAOYSA-N 0 0 310.365 0.858 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000375215552 396718491 /nfs/dbraw/zinc/71/84/91/396718491.db2.gz NUEMAEHHHKHNGD-SYQHCUMBSA-N 0 0 321.439 0.867 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nc(C)nc(OC)c2C)C1 ZINC000302566110 396720461 /nfs/dbraw/zinc/72/04/61/396720461.db2.gz ONLNTMJKCLDVLS-UHFFFAOYSA-N 0 0 314.411 0.795 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375238971 396721049 /nfs/dbraw/zinc/72/10/49/396721049.db2.gz STEIXSAJYVYEFT-AWEZNQCLSA-N 0 0 317.389 0.731 10 0 DCAERN NC(=O)NCC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000589702966 396723049 /nfs/dbraw/zinc/72/30/49/396723049.db2.gz NIGWDXFLMOJVNS-NSHDSACASA-N 0 0 305.334 0.790 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375589181 396777554 /nfs/dbraw/zinc/77/75/54/396777554.db2.gz AOMWUIVETOSQON-WDEREUQCSA-N 0 0 319.365 0.677 10 0 DCAERN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)CC(=O)OCC ZINC000315253109 396788956 /nfs/dbraw/zinc/78/89/56/396788956.db2.gz VWTAQSKJGDFYAE-MRVPVSSYSA-N 0 0 301.368 0.984 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000633987779 396764228 /nfs/dbraw/zinc/76/42/28/396764228.db2.gz HUTMEWWUMPREPX-NXEZZACHSA-N 0 0 319.287 0.509 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569469 396765140 /nfs/dbraw/zinc/76/51/40/396765140.db2.gz LHQDDNKJSBFQBW-GFCCVEGCSA-N 0 0 302.371 0.825 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccn2ccnc2c1 ZINC000563663586 396766991 /nfs/dbraw/zinc/76/69/91/396766991.db2.gz PRBPWDZGYPCQCV-UHFFFAOYSA-N 0 0 300.326 0.199 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000313240571 396767910 /nfs/dbraw/zinc/76/79/10/396767910.db2.gz UHOUIYQOGDQAPB-QWRGUYRKSA-N 0 0 303.355 0.904 10 0 DCAERN CO[C@](C)(CNC(=O)[C@H]1CNC(=O)C1)COCc1ccccc1 ZINC000617676938 396769264 /nfs/dbraw/zinc/76/92/64/396769264.db2.gz CKIFPCOIHMBMEQ-RHSMWYFYSA-N 0 0 320.389 0.861 10 0 DCAERN CCOC(=O)c1cnc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)s1 ZINC000596432637 396774364 /nfs/dbraw/zinc/77/43/64/396774364.db2.gz IJTCXYJLOMFMPU-HTQZYQBOSA-N 0 0 320.392 0.544 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)CC(=O)NC2COC2)cc1F ZINC000634256672 396822794 /nfs/dbraw/zinc/82/27/94/396822794.db2.gz UCYRIMVQLVMBHJ-UHFFFAOYSA-N 0 0 315.322 0.317 10 0 DCAERN CN(C[C@H]1CCc2nccn2C1)C(=O)CN1CSCC1=O ZINC000328619576 396824076 /nfs/dbraw/zinc/82/40/76/396824076.db2.gz GBHCFGICMOXUEE-LLVKDONJSA-N 0 0 308.407 0.437 10 0 DCAERN CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@@H]1c1ncc[nH]1 ZINC000328627150 396824897 /nfs/dbraw/zinc/82/48/97/396824897.db2.gz MLNZUBKGDWRKMF-GFCCVEGCSA-N 0 0 316.365 0.733 10 0 DCAERN CCn1c(=O)n(C[C@H](O)COC(C)C)nc1[C@H]1OCC[C@H]1C ZINC000328639903 396828394 /nfs/dbraw/zinc/82/83/94/396828394.db2.gz PUELESBBAXZUEK-AGIUHOORSA-N 0 0 313.398 0.948 10 0 DCAERN CNC(=O)NCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611188642 396831920 /nfs/dbraw/zinc/83/19/20/396831920.db2.gz FVFZAHTWARCAEE-CYBMUJFWSA-N 0 0 321.377 0.972 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000611195463 396832238 /nfs/dbraw/zinc/83/22/38/396832238.db2.gz BRVWXTJHDJMEOG-QMMMGPOBSA-N 0 0 309.326 0.384 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CC[C@H]3OCCN(C)[C@@H]3C1)CC2 ZINC000328860193 396834745 /nfs/dbraw/zinc/83/47/45/396834745.db2.gz AHSJASWRBSBCDH-APHBMKBZSA-N 0 0 318.421 0.457 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000375867371 396835039 /nfs/dbraw/zinc/83/50/39/396835039.db2.gz FVZXVXBURWLFDZ-JFILPPLUSA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000375955091 396850527 /nfs/dbraw/zinc/85/05/27/396850527.db2.gz UXOKRYFTVAQRND-AWEZNQCLSA-N 0 0 320.418 0.957 10 0 DCAERN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)cn1 ZINC000329816146 396850678 /nfs/dbraw/zinc/85/06/78/396850678.db2.gz DUGHWTVMUWDWKT-IZUJYSARSA-N 0 0 323.418 0.477 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NC2CN(c3ccncn3)C2)C1 ZINC000634450494 396852070 /nfs/dbraw/zinc/85/20/70/396852070.db2.gz WLWKSSQWHHRXSU-LBPRGKRZSA-N 0 0 303.366 0.040 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000375981304 396855615 /nfs/dbraw/zinc/85/56/15/396855615.db2.gz VNTANNOPMOVURA-NDBYEHHHSA-N 0 0 300.424 0.915 10 0 DCAERN COC(=O)c1ccc(CN[C@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000611442239 396866324 /nfs/dbraw/zinc/86/63/24/396866324.db2.gz DHGNCFXTWWVDLR-ZDUSSCGKSA-N 0 0 322.361 0.936 10 0 DCAERN COc1cc[nH]c(=O)c1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000375758053 396813428 /nfs/dbraw/zinc/81/34/28/396813428.db2.gz NUENEUUSWKZWSW-NSHDSACASA-N 0 0 307.350 0.389 10 0 DCAERN COc1ccnc(N2CCCN(C(=O)[C@@](C)(O)C3CC3)CC2)n1 ZINC000376106666 396877948 /nfs/dbraw/zinc/87/79/48/396877948.db2.gz LBEXEJVTFTZVLD-INIZCTEOSA-N 0 0 320.393 0.685 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(C)C1=O ZINC000332908633 396903245 /nfs/dbraw/zinc/90/32/45/396903245.db2.gz ZSFAYHJBUXUVJM-DCAQKATOSA-N 0 0 313.423 0.281 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000376400142 396923076 /nfs/dbraw/zinc/92/30/76/396923076.db2.gz JXPDDYJNPSWELZ-GVXVVHGQSA-N 0 0 313.398 0.489 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630045725 396929338 /nfs/dbraw/zinc/92/93/38/396929338.db2.gz RKFUFPHFNODOOT-UONOGXRCSA-N 0 0 314.426 0.222 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000376490936 396936331 /nfs/dbraw/zinc/93/63/31/396936331.db2.gz JPLGOJZEVKSTQK-WFASDCNBSA-N 0 0 315.389 0.892 10 0 DCAERN COC(=O)c1ccc(CCC(=O)NCc2cn(C)nn2)cc1 ZINC000611945847 396955892 /nfs/dbraw/zinc/95/58/92/396955892.db2.gz DMLAKXRIZKXQJJ-UHFFFAOYSA-N 0 0 302.334 0.851 10 0 DCAERN CC(=O)N1CCCN(C(=O)CO[C@H](C)c2nccn2C)CC1 ZINC000376806698 396981667 /nfs/dbraw/zinc/98/16/67/396981667.db2.gz BWXPDVKKQVYENJ-GFCCVEGCSA-N 0 0 308.382 0.579 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(C)(=O)=O ZINC000618676522 397010599 /nfs/dbraw/zinc/01/05/99/397010599.db2.gz PZOCMLWAXJGBEQ-ZJUUUORDSA-N 0 0 310.366 0.914 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](O)C2CCCCC2)CCN1S(C)(=O)=O ZINC000618677124 397010641 /nfs/dbraw/zinc/01/06/41/397010641.db2.gz CEVLEARBHXNLCC-YPMHNXCESA-N 0 0 318.439 0.420 10 0 DCAERN C[C@@H]1CN(C(=O)COCC(F)(F)F)CCN1S(C)(=O)=O ZINC000618677495 397011355 /nfs/dbraw/zinc/01/13/55/397011355.db2.gz LGAFZFKYVYVTJD-MRVPVSSYSA-N 0 0 318.317 0.058 10 0 DCAERN COC(=O)[C@H]1CCCN(c2ncnc3c2NC(=O)CS3)C1 ZINC000618678154 397011390 /nfs/dbraw/zinc/01/13/90/397011390.db2.gz TXDVRLHAAJOWLT-QMMMGPOBSA-N 0 0 308.363 0.910 10 0 DCAERN CCCc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)co1 ZINC000618677792 397011573 /nfs/dbraw/zinc/01/15/73/397011573.db2.gz YFECMMFOUCLFDM-SNVBAGLBSA-N 0 0 315.395 0.733 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCN1S(C)(=O)=O ZINC000618680276 397012517 /nfs/dbraw/zinc/01/25/17/397012517.db2.gz TXZSGEAXWPUBBE-LLVKDONJSA-N 0 0 314.382 0.861 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCN1S(C)(=O)=O ZINC000618681631 397012606 /nfs/dbraw/zinc/01/26/06/397012606.db2.gz PATSYRILSYHFNR-SECBINFHSA-N 0 0 313.379 0.658 10 0 DCAERN C=Cn1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000377051869 397022364 /nfs/dbraw/zinc/02/23/64/397022364.db2.gz LTKXUAJZTDFMAL-UHFFFAOYSA-N 0 0 310.423 0.984 10 0 DCAERN CCOC(=O)c1csc(N2CC[C@@H](S(N)(=O)=O)C2)n1 ZINC000591912513 397032871 /nfs/dbraw/zinc/03/28/71/397032871.db2.gz VIOWBAMBACRDGR-SSDOTTSWSA-N 0 0 305.381 0.187 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@@H]2CC(F)(F)CN2)n1 ZINC000592018398 397065072 /nfs/dbraw/zinc/06/50/72/397065072.db2.gz QREFONQTBYHTOD-ZETCQYMHSA-N 0 0 305.306 0.794 10 0 DCAERN CC(C)NC(=O)c1nnc(N2CCn3cnnc3[C@H]2C)n1C ZINC000572528419 397069668 /nfs/dbraw/zinc/06/96/68/397069668.db2.gz PUMUTVANFSPYPD-SECBINFHSA-N 0 0 304.358 0.126 10 0 DCAERN CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630666039 397075725 /nfs/dbraw/zinc/07/57/25/397075725.db2.gz OCBAFLVFZYQSJI-KBPBESRZSA-N 0 0 308.378 0.872 10 0 DCAERN CCCN(CC(=O)[O-])C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630571013 397048159 /nfs/dbraw/zinc/04/81/59/397048159.db2.gz HFFVQKXBFNGVJU-CQSZACIVSA-N 0 0 307.394 0.769 10 0 DCAERN CC(=O)c1cccc(CN2CCC(NS(N)(=O)=O)CC2)c1 ZINC000626035093 397056386 /nfs/dbraw/zinc/05/63/86/397056386.db2.gz BXKJCHGVYBHRRV-UHFFFAOYSA-N 0 0 311.407 0.647 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)O ZINC000626421999 397159466 /nfs/dbraw/zinc/15/94/66/397159466.db2.gz RATAEPBYUMDGGI-UWVGGRQHSA-N 0 0 315.414 0.072 10 0 DCAERN c1[nH]nc2c1C[C@@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000631077055 397164229 /nfs/dbraw/zinc/16/42/29/397164229.db2.gz WBCUOXDJKODFCY-AAEUAGOBSA-N 0 0 302.382 0.685 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000626234481 397116458 /nfs/dbraw/zinc/11/64/58/397116458.db2.gz YFNXHNAFFDOCHC-ZETCQYMHSA-N 0 0 316.354 0.879 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1nnc2n1CCCC2 ZINC000377655049 397118963 /nfs/dbraw/zinc/11/89/63/397118963.db2.gz SGBDRKQKBBJTKZ-ZIAGYGMSSA-N 0 0 305.426 0.909 10 0 DCAERN COC(=O)[C@H](O)C1CCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000619744987 397187956 /nfs/dbraw/zinc/18/79/56/397187956.db2.gz MWRYIJFCHOQMSY-WCBMZHEXSA-N 0 0 315.395 0.996 10 0 DCAERN CCN1CC[C@H](NC(=O)Cc2ccc([S@@](C)=O)cc2)C1=O ZINC000619825114 397197265 /nfs/dbraw/zinc/19/72/65/397197265.db2.gz HTJAFLDJLWUQDP-YEJXKQKISA-N 0 0 308.403 0.704 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(CC)C2=O)C1 ZINC000619829233 397197459 /nfs/dbraw/zinc/19/74/59/397197459.db2.gz HHEAPFUQEKEKNF-RYUDHWBXSA-N 0 0 311.382 0.592 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)N[C@H]2C[C@H](C(N)=O)C2)cn1 ZINC000626589523 397199220 /nfs/dbraw/zinc/19/92/20/397199220.db2.gz FEWDQLRBJCQTKF-HOMQSWHASA-N 0 0 305.338 0.450 10 0 DCAERN CCCCCCOCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364601326 397225216 /nfs/dbraw/zinc/22/52/16/397225216.db2.gz OXFJDVFPVMOZAO-OAHLLOKOSA-N 0 0 311.382 0.784 10 0 DCAERN O=C1[C@H](NS(=O)(=O)CCC2CC2)CCN1C1CCOCC1 ZINC000378371558 397236506 /nfs/dbraw/zinc/23/65/06/397236506.db2.gz PGLMSILMVUSUNX-CYBMUJFWSA-N 0 0 316.423 0.486 10 0 DCAERN C[C@H](C(=O)N(C)CC1(O)CCC1)n1cnc2c1ncnc2N ZINC000613498801 397267884 /nfs/dbraw/zinc/26/78/84/397267884.db2.gz PGXSQKZWCHCUOL-SECBINFHSA-N 0 0 304.354 0.343 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC([C@@H]2CCOC2)C1 ZINC000365430753 397279898 /nfs/dbraw/zinc/27/98/98/397279898.db2.gz YIDJDDNHNDNHGX-LLVKDONJSA-N 0 0 320.393 0.977 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC000365431343 397280013 /nfs/dbraw/zinc/28/00/13/397280013.db2.gz YXERPWXEBYDIKG-MRXNPFEDSA-N 0 0 320.393 0.855 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000365440208 397281664 /nfs/dbraw/zinc/28/16/64/397281664.db2.gz UOMZHOYWXHFOTR-QJPTWQEYSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2COCCN2)CCN1Cc1ccccc1 ZINC000396398840 397310958 /nfs/dbraw/zinc/31/09/58/397310958.db2.gz WWAXTXRKCAUYCW-GDBMZVCRSA-N 0 0 303.406 0.708 10 0 DCAERN C[C@H]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000407950545 397334101 /nfs/dbraw/zinc/33/41/01/397334101.db2.gz ALGXCTZTZMYTRP-AWEZNQCLSA-N 0 0 322.453 0.982 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N[C@H]1CCC[C@H](C(N)=O)C1)CC2 ZINC000407953836 397334743 /nfs/dbraw/zinc/33/47/43/397334743.db2.gz CHLNZOGELXIQKR-LOWVWBTDSA-N 0 0 304.394 0.685 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@@H]21 ZINC000407954216 397335186 /nfs/dbraw/zinc/33/51/86/397335186.db2.gz FSBGKXOEOGENJV-ZFWWWQNUSA-N 0 0 314.341 0.948 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000407956399 397335664 /nfs/dbraw/zinc/33/56/64/397335664.db2.gz LTJFHOAMKMVVAL-UHFFFAOYSA-N 0 0 310.375 0.616 10 0 DCAERN CC(C)[C@H](NC(=O)[C@H]1O[C@H](C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000407954805 397335708 /nfs/dbraw/zinc/33/57/08/397335708.db2.gz HTYYREVJBUXQOG-CRWXNKLISA-N 0 0 312.410 0.800 10 0 DCAERN CO[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000407959169 397336882 /nfs/dbraw/zinc/33/68/82/397336882.db2.gz RCCMZYFYBAMUPV-DZGCQCFKSA-N 0 0 306.366 0.236 10 0 DCAERN COc1cc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)nn1C ZINC000407963180 397338841 /nfs/dbraw/zinc/33/88/41/397338841.db2.gz OZVISKJTBKDGIU-UHFFFAOYSA-N 0 0 308.382 0.900 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000407962701 397338988 /nfs/dbraw/zinc/33/89/88/397338988.db2.gz NRUGLVBZODHOGD-YNEHKIRRSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@@H](C(=O)N1CCN[C@@H](c2ccncc2)C1)N1CCN(C)CC1 ZINC000407965576 397339800 /nfs/dbraw/zinc/33/98/00/397339800.db2.gz LTIACEWOMFRTJB-GOEBONIOSA-N 0 0 317.437 0.190 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)no1 ZINC000408158027 397348497 /nfs/dbraw/zinc/34/84/97/397348497.db2.gz AFMFIQQEBBGKEN-IUCAKERBSA-N 0 0 318.399 0.557 10 0 DCAERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000408224299 397350080 /nfs/dbraw/zinc/35/00/80/397350080.db2.gz WEMWJLKKPYMVHK-FZMZJTMJSA-N 0 0 320.455 0.571 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000408367794 397354475 /nfs/dbraw/zinc/35/44/75/397354475.db2.gz XUZPLENUASOOAL-STQMWFEESA-N 0 0 305.444 0.104 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408353396 397354737 /nfs/dbraw/zinc/35/47/37/397354737.db2.gz BBAYLVSAFMTOKG-HZSPNIEDSA-N 0 0 320.455 0.946 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCCC[C@@H]1C ZINC000408354158 397354786 /nfs/dbraw/zinc/35/47/86/397354786.db2.gz IFNAZSHHSOXQHG-STQMWFEESA-N 0 0 306.428 0.843 10 0 DCAERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)[nH]1 ZINC000408470108 397357446 /nfs/dbraw/zinc/35/74/46/397357446.db2.gz VDXZZBLWVAOWJO-JMJZKYOTSA-N 0 0 301.416 0.624 10 0 DCAERN NS(=O)(=O)[C@@H]1Cc2ccccc2N(C[C@H](O)C(F)(F)F)C1 ZINC000408522523 397358346 /nfs/dbraw/zinc/35/83/46/397358346.db2.gz ATGFLKUELUTHAV-KOLCDFICSA-N 0 0 324.324 0.629 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@H](O)c1ccccc1 ZINC000365849926 397324476 /nfs/dbraw/zinc/32/44/76/397324476.db2.gz DKKCJNBYVTYXLH-LSDHHAIUSA-N 0 0 318.373 0.616 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CC[C@H]3OCCN[C@@H]3C2)s1 ZINC000404110117 397327089 /nfs/dbraw/zinc/32/70/89/397327089.db2.gz DFQMCRXUZDYERF-NXEZZACHSA-N 0 0 303.409 0.203 10 0 DCAERN CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000460019489 397440637 /nfs/dbraw/zinc/44/06/37/397440637.db2.gz SFXUGFCKPQPHIY-CXAGYDPISA-N 0 0 321.421 0.764 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CN1C(=O)Cc2ccccc21 ZINC000614454646 397442024 /nfs/dbraw/zinc/44/20/24/397442024.db2.gz IJGGGVZUFUOZJM-JQWIXIFHSA-N 0 0 301.346 0.359 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 ZINC000461280254 397444889 /nfs/dbraw/zinc/44/48/89/397444889.db2.gz VFQXPWPOKBGBTM-NTZNESFSSA-N 0 0 322.409 0.735 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000367259006 397398585 /nfs/dbraw/zinc/39/85/85/397398585.db2.gz GDDYGKBWHNRVAY-QNWHQSFQSA-N 0 0 320.393 0.668 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000367631695 397405455 /nfs/dbraw/zinc/40/54/55/397405455.db2.gz RSUHXUZJQBMXIT-UPJWGTAASA-N 0 0 313.398 0.443 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccco1 ZINC000487095973 397466307 /nfs/dbraw/zinc/46/63/07/397466307.db2.gz MJKIQXMEUXEOMN-MNOVXSKESA-N 0 0 310.350 0.785 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC000487129197 397467619 /nfs/dbraw/zinc/46/76/19/397467619.db2.gz NUYBFHUBKQKSCI-RKDXNWHRSA-N 0 0 322.365 0.085 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC1CCC1 ZINC000487345909 397470650 /nfs/dbraw/zinc/47/06/50/397470650.db2.gz ZOVJTFXEARTPOR-ZJUUUORDSA-N 0 0 320.411 0.162 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)NCCOCC2CCC2)CCO1 ZINC000578707300 397471710 /nfs/dbraw/zinc/47/17/10/397471710.db2.gz YESQKQSFYNSWIK-AWEZNQCLSA-N 0 0 313.398 0.350 10 0 DCAERN CCOC(=O)c1ncc(CN(C)CC(C)(CO)CO)s1 ZINC000602780885 397483857 /nfs/dbraw/zinc/48/38/57/397483857.db2.gz BGIQUIAVVTWHIO-UHFFFAOYSA-N 0 0 302.396 0.743 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@H](C)OC ZINC000488289166 397489196 /nfs/dbraw/zinc/48/91/96/397489196.db2.gz FQPALCYHNHPFST-AXFHLTTASA-N 0 0 302.371 0.374 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC000614647787 397490226 /nfs/dbraw/zinc/49/02/26/397490226.db2.gz NOPXYFIETMRCFV-UHFFFAOYSA-N 0 0 306.366 0.494 10 0 DCAERN O=C(NC[C@H](O)C1CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000370473378 397490564 /nfs/dbraw/zinc/49/05/64/397490564.db2.gz SDZXTHWIHHVUCK-OLZOCXBDSA-N 0 0 312.435 0.965 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(CCOc2ccccc2)CCO1 ZINC000370508781 397496164 /nfs/dbraw/zinc/49/61/64/397496164.db2.gz OBPYJHNIQVCMFF-HNNXBMFYSA-N 0 0 308.378 0.783 10 0 DCAERN CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[C@H](OC)C2)c1C ZINC000578801745 397486841 /nfs/dbraw/zinc/48/68/41/397486841.db2.gz UAYZWQGIEZBKDJ-OLZOCXBDSA-N 0 0 322.409 0.820 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@H]1CCCO1 ZINC000488245925 397488118 /nfs/dbraw/zinc/48/81/18/397488118.db2.gz HAQMXHDOZCKNGN-OUAUKWLOSA-N 0 0 300.355 0.128 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cc[nH]n2)co1 ZINC000370607031 397507140 /nfs/dbraw/zinc/50/71/40/397507140.db2.gz SCOWSOXZBMDBGG-NSHDSACASA-N 0 0 324.362 0.888 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000371264728 397564763 /nfs/dbraw/zinc/56/47/63/397564763.db2.gz QJUUAFDPGVMWIN-CYBMUJFWSA-N 0 0 304.394 0.894 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000371325972 397573369 /nfs/dbraw/zinc/57/33/69/397573369.db2.gz HGQLHGLZQRVHIG-ZDUSSCGKSA-N 0 0 308.407 0.848 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)C1=O ZINC000371017306 397532971 /nfs/dbraw/zinc/53/29/71/397532971.db2.gz IJBUFZWCMCNPIW-LBPRGKRZSA-N 0 0 322.409 0.213 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000603481114 397613280 /nfs/dbraw/zinc/61/32/80/397613280.db2.gz UDTLBTFTXFZKQC-VIFPVBQESA-N 0 0 300.384 0.126 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC(n3ccnc3)C2)c1 ZINC000603916996 397628249 /nfs/dbraw/zinc/62/82/49/397628249.db2.gz WCMIQWIONMRQIU-UHFFFAOYSA-N 0 0 320.374 0.488 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063800 397659554 /nfs/dbraw/zinc/65/95/54/397659554.db2.gz XQKBCNXLXHYWJM-UHFFFAOYSA-N 0 0 301.346 0.779 10 0 DCAERN COC(=O)C1CCN(C(=O)CN2CCN(C3CC3)CC2)CC1 ZINC000604473469 397641090 /nfs/dbraw/zinc/64/10/90/397641090.db2.gz CLSWDSBGRODBDQ-UHFFFAOYSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604578447 397644547 /nfs/dbraw/zinc/64/45/47/397644547.db2.gz XPUNUCCFVCOTRV-RKDXNWHRSA-N 0 0 315.370 0.928 10 0 DCAERN CN(CC(=O)Nc1ccc2nccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000606533169 397683503 /nfs/dbraw/zinc/68/35/03/397683503.db2.gz JEQPEGREFVIJBF-LBPRGKRZSA-N 0 0 322.390 0.392 10 0 DCAERN Cc1nc2ncnn2c(NCCCN2CCCS2(=O)=O)c1C ZINC000607145972 397697359 /nfs/dbraw/zinc/69/73/59/397697359.db2.gz KNIJKADTRDWOPE-UHFFFAOYSA-N 0 0 324.410 0.579 10 0 DCAERN CCc1nnc2ccc(N(C)C[C@@H]3CCS(=O)(=O)C3)nn21 ZINC000607148404 397697396 /nfs/dbraw/zinc/69/73/96/397697396.db2.gz ZOGUXKHCOIUYFJ-JTQLQIEISA-N 0 0 309.395 0.558 10 0 DCAERN C[C@@H](O)C[C@@H](C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000607240197 397698932 /nfs/dbraw/zinc/69/89/32/397698932.db2.gz VBVWCENUPSXJKD-VXGBXAGGSA-N 0 0 321.443 0.118 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)c2cc(C)[nH]c2C)cn1 ZINC000607582724 397703488 /nfs/dbraw/zinc/70/34/88/397703488.db2.gz LMGQVNGRULXWPM-UHFFFAOYSA-N 0 0 319.365 0.843 10 0 DCAERN O=C(NCc1nnnn1C1CC1)N1CCC(c2ncc[nH]2)CC1 ZINC000608725662 397749642 /nfs/dbraw/zinc/74/96/42/397749642.db2.gz DNWNVWONZUWZNM-UHFFFAOYSA-N 0 0 316.369 0.820 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000610499500 397827210 /nfs/dbraw/zinc/82/72/10/397827210.db2.gz NEFIOJUGFGAMJR-VXGBXAGGSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000367726580 296588625 /nfs/dbraw/zinc/58/86/25/296588625.db2.gz SLDGTKTZESLNHP-UPJWGTAASA-N 0 0 308.378 0.799 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2N2CCOCC2)C1 ZINC000284652075 286089993 /nfs/dbraw/zinc/08/99/93/286089993.db2.gz VISRGHZMGSJYRK-HOCLYGCPSA-N 0 0 319.405 0.598 10 0 DCAERN CCO[C@@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)NC)C12CCCC2 ZINC000175216126 286235375 /nfs/dbraw/zinc/23/53/75/286235375.db2.gz NRVNZWYRVZRKPH-VXGBXAGGSA-N 0 0 318.439 0.732 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329515748 304371968 /nfs/dbraw/zinc/37/19/68/304371968.db2.gz ORUQSHAKEJNJOS-FIQHERPVSA-N 0 0 304.337 0.182 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280440 286310177 /nfs/dbraw/zinc/31/01/77/286310177.db2.gz HUWRCHJTJJUZSE-ZWNOBZJWSA-N 0 0 322.427 0.566 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CC[S@@](C)=O)C12CCOCC2 ZINC000248588391 286344150 /nfs/dbraw/zinc/34/41/50/286344150.db2.gz XIAYNALQKGGBJZ-XXRNEEKGSA-N 0 0 303.424 0.845 10 0 DCAERN COC(=O)CN(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000036817763 157986978 /nfs/dbraw/zinc/98/69/78/157986978.db2.gz NNOBONWRLSLYMO-UHFFFAOYSA-N 0 0 319.335 0.477 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000045973350 158000201 /nfs/dbraw/zinc/00/02/01/158000201.db2.gz AASQEELIEPFOTM-ZDUSSCGKSA-N 0 0 320.393 0.645 10 0 DCAERN CCS(=O)(=O)CC(=O)NCc1cccnc1-n1ccnc1 ZINC000053024792 158016114 /nfs/dbraw/zinc/01/61/14/158016114.db2.gz SBUABNXWKBAHNJ-UHFFFAOYSA-N 0 0 308.363 0.318 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)n1 ZINC000053448329 158018801 /nfs/dbraw/zinc/01/88/01/158018801.db2.gz DLGUWJMGRWOMJQ-LBPRGKRZSA-N 0 0 321.381 0.875 10 0 DCAERN CCOCCOCC(=O)NCc1nncn1-c1ccccc1 ZINC000056972043 158024239 /nfs/dbraw/zinc/02/42/39/158024239.db2.gz XFELOYFDLADRGH-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN CN(C)S(=O)(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000057018269 158024285 /nfs/dbraw/zinc/02/42/85/158024285.db2.gz MIRYMZNXLNZOJR-UHFFFAOYSA-N 0 0 321.402 0.793 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000058928306 158026305 /nfs/dbraw/zinc/02/63/05/158026305.db2.gz MSJUMABSXAMQPL-CYBMUJFWSA-N 0 0 309.410 0.572 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2COc3ccccc32)nn1 ZINC000058730345 158026562 /nfs/dbraw/zinc/02/65/62/158026562.db2.gz CXLRVTCSBINSFD-GFCCVEGCSA-N 0 0 315.333 0.230 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)cc12 ZINC000063695230 158031735 /nfs/dbraw/zinc/03/17/35/158031735.db2.gz LYJPDFGSNAANEM-GFCCVEGCSA-N 0 0 301.350 0.959 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000068017187 158040730 /nfs/dbraw/zinc/04/07/30/158040730.db2.gz JVNHJRBQYIBARD-RYUDHWBXSA-N 0 0 320.397 0.399 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCOc2ccccc2)C1 ZINC000071952946 158050775 /nfs/dbraw/zinc/05/07/75/158050775.db2.gz GSGZLPOTRHEATL-OAHLLOKOSA-N 0 0 319.405 0.782 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCc1cscn1 ZINC000072711944 158052032 /nfs/dbraw/zinc/05/20/32/158052032.db2.gz OWVKOHVSULHCEX-ZJUUUORDSA-N 0 0 305.425 0.629 10 0 DCAERN CSCC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000073688870 158055449 /nfs/dbraw/zinc/05/54/49/158055449.db2.gz OOPGGKDWWQMJHP-CQSZACIVSA-N 0 0 307.419 0.720 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000073989005 158056609 /nfs/dbraw/zinc/05/66/09/158056609.db2.gz VZAWCBRHQMYCOP-UKRRQHHQSA-N 0 0 321.425 0.226 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000074223951 158058096 /nfs/dbraw/zinc/05/80/96/158058096.db2.gz GPNATLBPHYSEKG-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN O=C(c1ccccn1)N1CCCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000075050697 158060747 /nfs/dbraw/zinc/06/07/47/158060747.db2.gz KZDRFZRDLIKQGS-ZDUSSCGKSA-N 0 0 320.418 0.419 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000075682785 158061728 /nfs/dbraw/zinc/06/17/28/158061728.db2.gz WFSBAIGYYABFGE-UWVGGRQHSA-N 0 0 319.296 0.857 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC(C(F)(F)F)CC2)C1 ZINC000075969375 158063296 /nfs/dbraw/zinc/06/32/96/158063296.db2.gz QFBCPTZVZITUJK-JTQLQIEISA-N 0 0 321.343 0.985 10 0 DCAERN Cn1nccc1CNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000076517620 158064543 /nfs/dbraw/zinc/06/45/43/158064543.db2.gz HQSVRUNTCBKIMQ-UHFFFAOYSA-N 0 0 316.300 0.857 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1CCCC[C@H]1O ZINC000077148570 158066003 /nfs/dbraw/zinc/06/60/03/158066003.db2.gz WFUHKAFHZXXLLH-YIYPIFLZSA-N 0 0 322.405 0.829 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c2c(=O)[nH]n(C)c2n1 ZINC000077155655 158067733 /nfs/dbraw/zinc/06/77/33/158067733.db2.gz BXKXSWGYLVEMIZ-JQWIXIFHSA-N 0 0 318.377 0.851 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)n(C)n1 ZINC000077724945 158069352 /nfs/dbraw/zinc/06/93/52/158069352.db2.gz LBKOFVBBWKWGQQ-LBPRGKRZSA-N 0 0 321.381 0.048 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000077750286 158070646 /nfs/dbraw/zinc/07/06/46/158070646.db2.gz NXYICLAVNBMVAM-AAEUAGOBSA-N 0 0 306.428 0.660 10 0 DCAERN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000079127280 158077784 /nfs/dbraw/zinc/07/77/84/158077784.db2.gz TYKNMIWHEXAVSM-OABGYEMISA-N 0 0 315.439 0.598 10 0 DCAERN O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1cccnc1 ZINC000079909155 158080186 /nfs/dbraw/zinc/08/01/86/158080186.db2.gz WFUKXYPVZMGMTB-GFCCVEGCSA-N 0 0 319.390 0.819 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000080570026 158081161 /nfs/dbraw/zinc/08/11/61/158081161.db2.gz BLHPNRIZYTUFPZ-JSGCOSHPSA-N 0 0 307.398 0.867 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000081440097 158084289 /nfs/dbraw/zinc/08/42/89/158084289.db2.gz HEEWMEHSXUNVQS-GFCCVEGCSA-N 0 0 315.373 0.842 10 0 DCAERN CC(C)[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)N1CCOCC1 ZINC000087377217 158091535 /nfs/dbraw/zinc/09/15/35/158091535.db2.gz AVKPDLPVLWAFDN-UKRRQHHQSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1C(N)=O ZINC000089666418 158098513 /nfs/dbraw/zinc/09/85/13/158098513.db2.gz APBYQQCCLRHSKD-UHFFFAOYSA-N 0 0 310.375 0.239 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1 ZINC000089666413 158098677 /nfs/dbraw/zinc/09/86/77/158098677.db2.gz YNCHYEQNBUMFND-UHFFFAOYSA-N 0 0 311.359 0.619 10 0 DCAERN CCOC(=O)[C@@H](C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091068619 158105950 /nfs/dbraw/zinc/10/59/50/158105950.db2.gz ZOVYLUOIEAHZKW-NSHDSACASA-N 0 0 317.345 0.932 10 0 DCAERN CCOC(=O)[C@H](C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091068620 158106051 /nfs/dbraw/zinc/10/60/51/158106051.db2.gz ZOVYLUOIEAHZKW-LLVKDONJSA-N 0 0 317.345 0.932 10 0 DCAERN Cn1cnc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000091774341 158109472 /nfs/dbraw/zinc/10/94/72/158109472.db2.gz ZIFBWDSLJHSSON-GFCCVEGCSA-N 0 0 302.338 0.573 10 0 DCAERN Cc1n[nH]c2cc(NC(=O)Cn3ccc(=O)n(C)c3=O)ccc12 ZINC000091836796 158110659 /nfs/dbraw/zinc/11/06/59/158110659.db2.gz MOODASVIFQKCAK-UHFFFAOYSA-N 0 0 313.317 0.370 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000097029898 158123581 /nfs/dbraw/zinc/12/35/81/158123581.db2.gz VTHRUXBOOIOKEM-GFCCVEGCSA-N 0 0 318.439 0.133 10 0 DCAERN COCCCNC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105910065 158132156 /nfs/dbraw/zinc/13/21/56/158132156.db2.gz FLPUDODEEKGFHG-UHFFFAOYSA-N 0 0 307.398 0.506 10 0 DCAERN CC[C@H](C)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896738 158138497 /nfs/dbraw/zinc/13/84/97/158138497.db2.gz USMYAAADAMERTK-UONOGXRCSA-N 0 0 311.426 0.424 10 0 DCAERN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000112676269 158143525 /nfs/dbraw/zinc/14/35/25/158143525.db2.gz LFYXJBRWKUXOQE-VXGBXAGGSA-N 0 0 309.410 0.523 10 0 DCAERN CC(C)(CNC(=O)N[C@H]1CCc2ncnn2C1)N1CCOCC1 ZINC000112740125 158144110 /nfs/dbraw/zinc/14/41/10/158144110.db2.gz STDZBILTXPNJHE-LBPRGKRZSA-N 0 0 322.413 0.003 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000114563077 158154268 /nfs/dbraw/zinc/15/42/68/158154268.db2.gz CEJMXGBUBROIAD-UKRRQHHQSA-N 0 0 315.435 0.929 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@H](c2nccs2)C1 ZINC000114742059 158156019 /nfs/dbraw/zinc/15/60/19/158156019.db2.gz MJGRVGHJQVRQBL-NSHDSACASA-N 0 0 317.436 0.900 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC2 ZINC000114870009 158159130 /nfs/dbraw/zinc/15/91/30/158159130.db2.gz GFAURZGAPJPGPJ-NSHDSACASA-N 0 0 321.425 0.824 10 0 DCAERN CCCNC(=O)CCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114866546 158159353 /nfs/dbraw/zinc/15/93/53/158159353.db2.gz OFUYTCHVNYNSCL-NSHDSACASA-N 0 0 307.398 0.578 10 0 DCAERN CCOCCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1CC ZINC000116771621 158167332 /nfs/dbraw/zinc/16/73/32/158167332.db2.gz UUONYDGTWMOWGF-ZDUSSCGKSA-N 0 0 324.425 0.554 10 0 DCAERN CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890361 158168501 /nfs/dbraw/zinc/16/85/01/158168501.db2.gz DRANWLHVVHBVOZ-MNOVXSKESA-N 0 0 305.444 0.303 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C ZINC000117275156 158170720 /nfs/dbraw/zinc/17/07/20/158170720.db2.gz MJCZHZGQLMVYIR-CYBMUJFWSA-N 0 0 319.405 0.968 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117642478 158171855 /nfs/dbraw/zinc/17/18/55/158171855.db2.gz BYYKSOGHUBUJQI-GWCFXTLKSA-N 0 0 312.391 0.607 10 0 DCAERN COCCN1CCN(C(=O)NCCc2nc(C)no2)C[C@@H]1C ZINC000117489218 158172047 /nfs/dbraw/zinc/17/20/47/158172047.db2.gz AOIACZZRDZVFDB-NSHDSACASA-N 0 0 311.386 0.283 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000118750089 158179609 /nfs/dbraw/zinc/17/96/09/158179609.db2.gz YKAJTSMYOOPQFC-UHFFFAOYSA-N 0 0 303.318 0.995 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N[C@@H]1CCCCNC1=O ZINC000119361666 158185263 /nfs/dbraw/zinc/18/52/63/158185263.db2.gz QUSSUBXMVPKRQB-VXGBXAGGSA-N 0 0 312.414 0.649 10 0 DCAERN CCOCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119788042 158190819 /nfs/dbraw/zinc/19/08/19/158190819.db2.gz ZZSHRCCMUZKYBZ-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000119930113 158191276 /nfs/dbraw/zinc/19/12/76/158191276.db2.gz UDSIPBTWIACKEL-ZDUSSCGKSA-N 0 0 302.382 0.883 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000119930278 158191417 /nfs/dbraw/zinc/19/14/17/158191417.db2.gz UDSIPBTWIACKEL-CYBMUJFWSA-N 0 0 302.382 0.883 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)on1 ZINC000119989719 158192363 /nfs/dbraw/zinc/19/23/63/158192363.db2.gz DIFBFTXTYWHJJY-NSHDSACASA-N 0 0 313.379 0.623 10 0 DCAERN Cc1ocnc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119953368 158192530 /nfs/dbraw/zinc/19/25/30/158192530.db2.gz QDYZTXOBYJMNHE-NSHDSACASA-N 0 0 313.379 0.623 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc(-c2ccccc2)on1 ZINC000120218982 158194585 /nfs/dbraw/zinc/19/45/85/158194585.db2.gz LAKNALZRZAWKFD-VIFPVBQESA-N 0 0 300.274 0.878 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000120774093 158204144 /nfs/dbraw/zinc/20/41/44/158204144.db2.gz VRVYAYKLWHJBSL-NSHDSACASA-N 0 0 315.443 0.893 10 0 DCAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N1CCC[C@@H]1CO ZINC000121218779 158208866 /nfs/dbraw/zinc/20/88/66/158208866.db2.gz JKLBDBWSFWQHOU-LLVKDONJSA-N 0 0 315.333 0.189 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000121256899 158208956 /nfs/dbraw/zinc/20/89/56/158208956.db2.gz MAJZKLAUURYFCD-ZDUSSCGKSA-N 0 0 307.325 0.891 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@H]2c2nc[nH]n2)CC1 ZINC000121800938 158215114 /nfs/dbraw/zinc/21/51/14/158215114.db2.gz KOHLHYBHPXXPGE-ZDUSSCGKSA-N 0 0 320.397 0.022 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000122327014 158219820 /nfs/dbraw/zinc/21/98/20/158219820.db2.gz KGRQTZMUGKKVMN-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN CCSCCN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000122535189 158221777 /nfs/dbraw/zinc/22/17/77/158221777.db2.gz WXMOPSBXUPPTOG-UHFFFAOYSA-N 0 0 301.456 0.216 10 0 DCAERN NC(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2)cn1 ZINC000122615488 158222676 /nfs/dbraw/zinc/22/26/76/158222676.db2.gz LTZFWDPOGOEBIY-UHFFFAOYSA-N 0 0 312.329 0.478 10 0 DCAERN Cn1nccc1C1CCN(C(=O)CN2CSCC2=O)CC1 ZINC000124451448 158241904 /nfs/dbraw/zinc/24/19/04/158241904.db2.gz HJLAZEXIWOJCPL-UHFFFAOYSA-N 0 0 308.407 0.659 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)N(C)[C@@H](C)CO)ccc1F ZINC000126251939 158263695 /nfs/dbraw/zinc/26/36/95/158263695.db2.gz MOERFUPJYWREMM-QMMMGPOBSA-N 0 0 308.317 0.954 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@H]2C1 ZINC000126728793 158267235 /nfs/dbraw/zinc/26/72/35/158267235.db2.gz KHVRTIHJFIKXTI-AGIUHOORSA-N 0 0 323.397 0.591 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126955713 158268970 /nfs/dbraw/zinc/26/89/70/158268970.db2.gz XKXVMZJKWRQTEJ-OAHLLOKOSA-N 0 0 308.378 0.918 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc[nH]c(=O)c1 ZINC000127074228 158269670 /nfs/dbraw/zinc/26/96/70/158269670.db2.gz KWBIGIFJBVMXNZ-SNVBAGLBSA-N 0 0 303.322 0.378 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1nnc[nH]1 ZINC000127095832 158270561 /nfs/dbraw/zinc/27/05/61/158270561.db2.gz GQHOHVTZRWUBSZ-VIFPVBQESA-N 0 0 305.342 0.127 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000127720731 158275362 /nfs/dbraw/zinc/27/53/62/158275362.db2.gz JRIDWTQLFWQMJW-QWHCGFSZSA-N 0 0 323.397 0.897 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128257267 158279763 /nfs/dbraw/zinc/27/97/63/158279763.db2.gz UMMYSDYPJOHJFT-STQMWFEESA-N 0 0 304.412 0.190 10 0 DCAERN O=C(NCCCNc1ccccn1)NC[C@@]1(CCO)CCOC1 ZINC000128396773 158281561 /nfs/dbraw/zinc/28/15/61/158281561.db2.gz AEJSGAZGNRKRHR-MRXNPFEDSA-N 0 0 322.409 0.972 10 0 DCAERN C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1COc2ccccc21 ZINC000128569870 158282276 /nfs/dbraw/zinc/28/22/76/158282276.db2.gz CWFWCTZSQYDBJU-JQWIXIFHSA-N 0 0 315.329 0.218 10 0 DCAERN C[C@H](NC(=O)CSCC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000129064507 158284725 /nfs/dbraw/zinc/28/47/25/158284725.db2.gz KZCIEZJFZRFVDB-JTQLQIEISA-N 0 0 319.390 0.663 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000130023097 158293291 /nfs/dbraw/zinc/29/32/91/158293291.db2.gz KHUANXACAHAJMY-DTWKUNHWSA-N 0 0 318.395 0.585 10 0 DCAERN CCNC(=O)CN1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000130467509 158295825 /nfs/dbraw/zinc/29/58/25/158295825.db2.gz LFQACWJNLRJPDB-UHFFFAOYSA-N 0 0 321.425 0.981 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000131054779 158298604 /nfs/dbraw/zinc/29/86/04/158298604.db2.gz VATZKSQHWLRGHI-GFCCVEGCSA-N 0 0 307.398 0.946 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CN1C(=O)CN(C)C1=O ZINC000131060342 158299394 /nfs/dbraw/zinc/29/93/94/158299394.db2.gz IHXCIRKXFTYZRE-UHFFFAOYSA-N 0 0 307.354 0.049 10 0 DCAERN Cc1ccc(OC[C@@H](O)Cn2nc(C(N)=O)ccc2=O)c(C)c1 ZINC000131285534 158301767 /nfs/dbraw/zinc/30/17/67/158301767.db2.gz FTNSFVIVSKQWNM-LBPRGKRZSA-N 0 0 317.345 0.399 10 0 DCAERN C[C@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)[S@](C)=O ZINC000132919998 158315319 /nfs/dbraw/zinc/31/53/19/158315319.db2.gz SBQZXXVEEWQJPS-LWESTGQBSA-N 0 0 324.449 0.282 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3ccsc3C2)C1 ZINC000132968880 158315394 /nfs/dbraw/zinc/31/53/94/158315394.db2.gz ZVZMQMAEHMEHOI-LBPRGKRZSA-N 0 0 307.419 0.830 10 0 DCAERN CC(C)[C@@H](CNc1cncc(OCCO)n1)N1CCOCC1 ZINC000133073028 158316170 /nfs/dbraw/zinc/31/61/70/158316170.db2.gz SJTBDKCBLKIVMH-CYBMUJFWSA-N 0 0 310.398 0.616 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000133287493 158318413 /nfs/dbraw/zinc/31/84/13/158318413.db2.gz MQIBKWIWWRYCFL-GFCCVEGCSA-N 0 0 308.382 0.733 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133562198 158320624 /nfs/dbraw/zinc/32/06/24/158320624.db2.gz ARDXSSZDAAMFCZ-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H]1CCC(=O)N(C)C1)C2 ZINC000133914718 158323007 /nfs/dbraw/zinc/32/30/07/158323007.db2.gz WLCGJCHYSHQBPS-STQMWFEESA-N 0 0 318.373 0.983 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134306284 158325968 /nfs/dbraw/zinc/32/59/68/158325968.db2.gz NCAJEJZJAPJPRM-IUODEOHRSA-N 0 0 322.409 0.608 10 0 DCAERN CC(C)[C@@H](NC(=O)NCc1cccnc1-n1cccn1)C(N)=O ZINC000134689697 158329289 /nfs/dbraw/zinc/32/92/89/158329289.db2.gz VALYBATYALOINU-GFCCVEGCSA-N 0 0 316.365 0.576 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134819598 158331256 /nfs/dbraw/zinc/33/12/56/158331256.db2.gz GJDSFAOWJFJSQT-LLVKDONJSA-N 0 0 310.785 0.908 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135292135 158334767 /nfs/dbraw/zinc/33/47/67/158334767.db2.gz KBHNVVZCIIFRDV-ZDUSSCGKSA-N 0 0 308.382 0.615 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1nnc2n1CCCC2 ZINC000135305141 158335276 /nfs/dbraw/zinc/33/52/76/158335276.db2.gz MFXJZFZRWIJOKG-MNOVXSKESA-N 0 0 320.397 0.582 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N(C)CC1CC(O)C1 ZINC000135368322 158336379 /nfs/dbraw/zinc/33/63/79/158336379.db2.gz KDRPIWWXTDQYJB-HTAVTVPLSA-N 0 0 300.424 0.917 10 0 DCAERN Cc1nc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000135747641 158340547 /nfs/dbraw/zinc/34/05/47/158340547.db2.gz FNQLRFKMQVFWLR-LLVKDONJSA-N 0 0 300.384 0.378 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2O)cc1 ZINC000136004978 158341878 /nfs/dbraw/zinc/34/18/78/158341878.db2.gz HYOHKNCLVSWMST-QWHCGFSZSA-N 0 0 312.391 0.757 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)c1cnn(C)c1)CC2 ZINC000136844569 158344282 /nfs/dbraw/zinc/34/42/82/158344282.db2.gz DDHCLKJTWWVMOM-LLVKDONJSA-N 0 0 316.365 0.449 10 0 DCAERN C[C@H](NC(=O)N1CCN(C2CC2)CC1)C(=O)N1CCCCC1 ZINC000153428371 158349900 /nfs/dbraw/zinc/34/99/00/158349900.db2.gz QZOSYXNYBBBIRH-ZDUSSCGKSA-N 0 0 308.426 0.877 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152471579 158349904 /nfs/dbraw/zinc/34/99/04/158349904.db2.gz GYTNJIVWRIETDA-JTQLQIEISA-N 0 0 306.370 0.248 10 0 DCAERN C[C@@H](NC(=O)[C@H]1COCCN1)c1cn(-c2ccccc2)nn1 ZINC000163150197 158361715 /nfs/dbraw/zinc/36/17/15/158361715.db2.gz BRTGGSZVNKKAKQ-BXUZGUMPSA-N 0 0 301.350 0.433 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1C(=O)[O-] ZINC000168640731 158371961 /nfs/dbraw/zinc/37/19/61/158371961.db2.gz QJCJAAVGELLGLH-SECBINFHSA-N 0 0 303.384 0.435 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCCC1=O ZINC000170315983 158374468 /nfs/dbraw/zinc/37/44/68/158374468.db2.gz GQPLHGPSKXRIIP-CYBMUJFWSA-N 0 0 309.410 0.906 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000170809708 158376881 /nfs/dbraw/zinc/37/68/81/158376881.db2.gz BIQRQFAVEVKHKN-SNVBAGLBSA-N 0 0 317.436 0.663 10 0 DCAERN O=C([C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1)N1CCOCC1 ZINC000171026942 158379827 /nfs/dbraw/zinc/37/98/27/158379827.db2.gz ZPUDYHWAZBCGQX-KBPBESRZSA-N 0 0 310.394 0.510 10 0 DCAERN Cc1occc1C(=O)NC1CCN([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000171122641 158380899 /nfs/dbraw/zinc/38/08/99/158380899.db2.gz TWXPNGPNOOLFRI-ZDUSSCGKSA-N 0 0 319.361 0.540 10 0 DCAERN O=C(CNC(=O)N[C@H]1Cc2ccccc2[C@H]1O)N1CCCCC1 ZINC000171752251 158386307 /nfs/dbraw/zinc/38/63/07/158386307.db2.gz GAFGVTUYFAPORJ-GOEBONIOSA-N 0 0 317.389 0.956 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000171701504 158386804 /nfs/dbraw/zinc/38/68/04/158386804.db2.gz INKAWNIZKFNGMI-CMPLNLGQSA-N 0 0 316.361 0.642 10 0 DCAERN COC[C@@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171925373 158388952 /nfs/dbraw/zinc/38/89/52/158388952.db2.gz BAELECNZBQUPLG-BDAKNGLRSA-N 0 0 311.304 0.826 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](OC)C1)CC2 ZINC000172041561 158390001 /nfs/dbraw/zinc/39/00/01/158390001.db2.gz ZNJMUUZCTFIKFU-NWDGAFQWSA-N 0 0 307.398 0.976 10 0 DCAERN CC[C@H](NC(=O)NCCNS(C)(=O)=O)c1nccs1 ZINC000172347263 158394249 /nfs/dbraw/zinc/39/42/49/158394249.db2.gz MOOXWJIAETZSSC-QMMMGPOBSA-N 0 0 306.413 0.443 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000172541658 158395730 /nfs/dbraw/zinc/39/57/30/158395730.db2.gz JBOKRPHOCHNKCS-AGIUHOORSA-N 0 0 312.414 0.050 10 0 DCAERN CCCC(O)(CCC)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000172583568 158396793 /nfs/dbraw/zinc/39/67/93/158396793.db2.gz CAUANPVCNBJOPO-ZDUSSCGKSA-N 0 0 301.431 0.948 10 0 DCAERN CC(=O)NC1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000172747199 158398249 /nfs/dbraw/zinc/39/82/49/158398249.db2.gz QTFUOGINUARFCC-OAHLLOKOSA-N 0 0 323.437 0.759 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767617 158399967 /nfs/dbraw/zinc/39/99/67/158399967.db2.gz FHOXAAMGFIHIFY-GXTWGEPZSA-N 0 0 321.377 0.331 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)NC1CN(C(C)=O)C1)C2 ZINC000173039655 158402188 /nfs/dbraw/zinc/40/21/88/158402188.db2.gz JEWRCSCHXQEHEX-GFCCVEGCSA-N 0 0 304.346 0.593 10 0 DCAERN C[C@@H]1CN(C(=O)NC2CCC(O)CC2)C[C@@H]1N1CCOCC1 ZINC000177297422 158446126 /nfs/dbraw/zinc/44/61/26/158446126.db2.gz KFROGPQWRKHLSA-URGYJCLVSA-N 0 0 311.426 0.652 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)COC ZINC000177972638 158452794 /nfs/dbraw/zinc/45/27/94/158452794.db2.gz RBECXXHHWLRDTH-QWRGUYRKSA-N 0 0 311.386 0.841 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC000178133380 158454175 /nfs/dbraw/zinc/45/41/75/158454175.db2.gz JENXOXMWSNDYDR-VIFPVBQESA-N 0 0 309.391 0.461 10 0 DCAERN CCCN(C)S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000178297926 158456244 /nfs/dbraw/zinc/45/62/44/158456244.db2.gz KPRDYRBHNWYKNU-UHFFFAOYSA-N 0 0 310.383 0.339 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(C)C ZINC000178721959 158462459 /nfs/dbraw/zinc/46/24/59/158462459.db2.gz NMXCABZQYOFGRQ-SCZZXKLOSA-N 0 0 323.315 0.284 10 0 DCAERN Cn1cnc(CNC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000179546117 158473154 /nfs/dbraw/zinc/47/31/54/158473154.db2.gz WLOIXKKCTXAIIE-SNVBAGLBSA-N 0 0 309.370 0.688 10 0 DCAERN Cc1ccc(OC2CCN([C@@H](C)C(=O)NC(N)=O)CC2)nc1 ZINC000182850497 158493761 /nfs/dbraw/zinc/49/37/61/158493761.db2.gz XVBDADNOUVBMNA-NSHDSACASA-N 0 0 306.366 0.817 10 0 DCAERN CC(=O)CCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000184942830 158513362 /nfs/dbraw/zinc/51/33/62/158513362.db2.gz YMJMTXIUFSILGV-ZDUSSCGKSA-N 0 0 316.423 0.772 10 0 DCAERN CC(C)Cc1nnc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185173181 158515859 /nfs/dbraw/zinc/51/58/59/158515859.db2.gz RDPUABCZCDVPEM-ZJUUUORDSA-N 0 0 314.411 0.103 10 0 DCAERN CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc2ccccc21 ZINC000185180325 158516022 /nfs/dbraw/zinc/51/60/22/158516022.db2.gz QDMZQWQUSYXHTE-GFCCVEGCSA-N 0 0 308.359 0.225 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(C)noc2CC)C1 ZINC000185959300 158525463 /nfs/dbraw/zinc/52/54/63/158525463.db2.gz WXEYWXKVMTYDJI-SNVBAGLBSA-N 0 0 315.395 0.699 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187633866 158539257 /nfs/dbraw/zinc/53/92/57/158539257.db2.gz IXXMMCWVXGGJPS-MLGOLLRUSA-N 0 0 312.410 0.945 10 0 DCAERN O=C(NCC1(CCO)CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000188029710 158542641 /nfs/dbraw/zinc/54/26/41/158542641.db2.gz QJQMMQVIBIBCOY-GFCCVEGCSA-N 0 0 306.362 0.907 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000188065244 158542707 /nfs/dbraw/zinc/54/27/07/158542707.db2.gz MZTOJKCAVRBVLU-SNVBAGLBSA-N 0 0 307.325 0.179 10 0 DCAERN Cc1cc(C(=O)N2CCCN(C)C(=O)C2)ccc1-n1cncn1 ZINC000188171406 158543031 /nfs/dbraw/zinc/54/30/31/158543031.db2.gz QHLDAQKYMIJPMX-UHFFFAOYSA-N 0 0 313.361 0.880 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1F ZINC000189143472 158550320 /nfs/dbraw/zinc/55/03/20/158550320.db2.gz GDZWTYFSEWVWNF-ZKYQVNSYSA-N 0 0 324.352 0.691 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOCC(F)F)CC2 ZINC000190176214 158558433 /nfs/dbraw/zinc/55/84/33/158558433.db2.gz OFGFPDPRNJGZQZ-SECBINFHSA-N 0 0 317.340 0.736 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)C1 ZINC000190949965 158564847 /nfs/dbraw/zinc/56/48/47/158564847.db2.gz LXDJZFNKVSHFNY-NSHDSACASA-N 0 0 322.390 0.551 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191045313 158565256 /nfs/dbraw/zinc/56/52/56/158565256.db2.gz WNUQNNHTXUDCSF-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCNC(=O)C1 ZINC000194307447 158595261 /nfs/dbraw/zinc/59/52/61/158595261.db2.gz LEPJUHYTKFCNOX-NSHDSACASA-N 0 0 302.334 0.254 10 0 DCAERN O=C(CN1CCCC[C@@H]1c1nccs1)N1CCNC(=O)C1 ZINC000195365197 158610060 /nfs/dbraw/zinc/61/00/60/158610060.db2.gz FBCRNNOKEUYSTL-LLVKDONJSA-N 0 0 308.407 0.629 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1=O ZINC000246264734 158660227 /nfs/dbraw/zinc/66/02/27/158660227.db2.gz AYBWYLMBMQTYNP-QIJZBDPFSA-N 0 0 314.385 0.936 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000246600095 158666942 /nfs/dbraw/zinc/66/69/42/158666942.db2.gz QKNQLQVMNCOXEQ-AVGNSLFASA-N 0 0 319.409 0.746 10 0 DCAERN CCn1cc([C@@H]2CN([C@H](C)C(=O)NC(=O)NC)CCO2)cn1 ZINC000248801679 158697673 /nfs/dbraw/zinc/69/76/73/158697673.db2.gz QKENWCQCMOPZAB-PWSUYJOCSA-N 0 0 309.370 0.120 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000261822230 158743313 /nfs/dbraw/zinc/74/33/13/158743313.db2.gz UPCSXGFHGDJXIE-HNNXBMFYSA-N 0 0 317.389 0.978 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000276593707 158952126 /nfs/dbraw/zinc/95/21/26/158952126.db2.gz VASPASRQSGXIAA-NEPJUHHUSA-N 0 0 315.381 0.612 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000319656561 159008814 /nfs/dbraw/zinc/00/88/14/159008814.db2.gz PBCRSUFDXGBJLW-HZSPNIEDSA-N 0 0 310.394 0.243 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328638212 159016614 /nfs/dbraw/zinc/01/66/14/159016614.db2.gz DCUOFHWZBHGRFG-MNOVXSKESA-N 0 0 317.411 0.555 10 0 DCAERN Cc1cc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000328642600 159016670 /nfs/dbraw/zinc/01/66/70/159016670.db2.gz GBHRDHGYUYXHRH-HNNXBMFYSA-N 0 0 304.394 0.864 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328674280 159019368 /nfs/dbraw/zinc/01/93/68/159019368.db2.gz PWXZMPPWQVCACN-LLVKDONJSA-N 0 0 311.407 0.131 10 0 DCAERN C[C@H](CC(=O)N1CCN2C(=O)N=NC2C1)N1CCCCC1=O ZINC000328745539 159025411 /nfs/dbraw/zinc/02/54/11/159025411.db2.gz KYSSDDFUXALMBN-SNVBAGLBSA-N 0 0 307.354 0.117 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000328748238 159026240 /nfs/dbraw/zinc/02/62/40/159026240.db2.gz QKCWMKNOHJGQHL-JHJVBQTASA-N 0 0 315.439 0.706 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2CCCCNC2=O)CCS1(=O)=O ZINC000328876348 159036816 /nfs/dbraw/zinc/03/68/16/159036816.db2.gz SLQUUNXXGLOHHF-QWRGUYRKSA-N 0 0 302.396 0.779 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328891285 159038015 /nfs/dbraw/zinc/03/80/15/159038015.db2.gz SFXFCUFORNGGPJ-UONOGXRCSA-N 0 0 317.455 0.368 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC000328892092 159038646 /nfs/dbraw/zinc/03/86/46/159038646.db2.gz SXRLBISEFXBGFN-STQMWFEESA-N 0 0 301.350 0.274 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000328908547 159039500 /nfs/dbraw/zinc/03/95/00/159039500.db2.gz DAWJTBZOEXRCTP-KBPBESRZSA-N 0 0 302.378 0.944 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](c2nnc[nH]2)C1)N1CCSCC1 ZINC000328928977 159043343 /nfs/dbraw/zinc/04/33/43/159043343.db2.gz GXKHNXZYVFCWRU-RYUDHWBXSA-N 0 0 309.439 0.948 10 0 DCAERN Cn1cc([C@H]2CN(S(=O)(=O)CC3CC3)C[C@@H]2C(N)=O)cn1 ZINC000328948597 159045232 /nfs/dbraw/zinc/04/52/32/159045232.db2.gz KQMUIHFVNZWFJZ-NEPJUHHUSA-N 0 0 312.395 0.711 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000329169690 159069873 /nfs/dbraw/zinc/06/98/73/159069873.db2.gz JSZBOLKCTKQZMV-FDYHWXHSSA-N 0 0 316.423 0.294 10 0 DCAERN Cc1nccc(CCC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000329210659 159073559 /nfs/dbraw/zinc/07/35/59/159073559.db2.gz ZSEVQPHQKALVTL-CABCVRRESA-N 0 0 304.394 0.649 10 0 DCAERN O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251381 159076318 /nfs/dbraw/zinc/07/63/18/159076318.db2.gz XZVKVCHIWCBKRE-GDBMZVCRSA-N 0 0 314.401 0.810 10 0 DCAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)[C@H]1CCOC1)C2=O ZINC000329262202 159077531 /nfs/dbraw/zinc/07/75/31/159077531.db2.gz FCNKFYPAXNMXDT-BFQNTYOBSA-N 0 0 323.393 0.939 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000329295231 159080039 /nfs/dbraw/zinc/08/00/39/159080039.db2.gz JXPBRECUDBWIGX-QWHCGFSZSA-N 0 0 306.366 0.869 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCCN(c2cccnn2)CC1 ZINC000329289586 159080193 /nfs/dbraw/zinc/08/01/93/159080193.db2.gz QDYMIEJZMIPJJJ-UHFFFAOYSA-N 0 0 323.360 0.872 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](OCc2ccncc2)C1)N1CCOCC1 ZINC000329310050 159081317 /nfs/dbraw/zinc/08/13/17/159081317.db2.gz FRIGBXIXTLVONQ-GDBMZVCRSA-N 0 0 319.405 0.920 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1nncn1C ZINC000329373221 159086195 /nfs/dbraw/zinc/08/61/95/159086195.db2.gz MWYVRGNJPWDRGZ-CHWSQXEVSA-N 0 0 307.398 0.417 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1nncn1C ZINC000329373223 159086199 /nfs/dbraw/zinc/08/61/99/159086199.db2.gz MWYVRGNJPWDRGZ-QWHCGFSZSA-N 0 0 307.398 0.417 10 0 DCAERN Cc1cc(C(=O)N2CCn3c(nnc3C3CC3)C2)[nH]c(=O)n1 ZINC000329420039 159091812 /nfs/dbraw/zinc/09/18/12/159091812.db2.gz FBBUAXRSZWFKDB-UHFFFAOYSA-N 0 0 300.322 0.616 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000329446447 159092937 /nfs/dbraw/zinc/09/29/37/159092937.db2.gz BOVGFKHHRVWCQQ-CYBMUJFWSA-N 0 0 312.329 0.845 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)CCS1(=O)=O ZINC000329444848 159093869 /nfs/dbraw/zinc/09/38/69/159093869.db2.gz NSEYOKVCUBJUFJ-NSHDSACASA-N 0 0 324.406 0.336 10 0 DCAERN Cn1[nH]c(CN2CC[C@](O)(Cc3cccc(Cl)c3)C2)nc1=O ZINC000329584335 159104780 /nfs/dbraw/zinc/10/47/80/159104780.db2.gz LXVITRHABKMTCU-HNNXBMFYSA-N 0 0 322.796 0.941 10 0 DCAERN CC(C)CN1C[C@H]2CN(C(=O)Cc3cncnc3)CCN2C1=O ZINC000329581450 159104833 /nfs/dbraw/zinc/10/48/33/159104833.db2.gz PZLKUMUCHCSEGG-CQSZACIVSA-N 0 0 317.393 0.624 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@H](C)COC[C@@H]2C)nn1 ZINC000329627314 159107527 /nfs/dbraw/zinc/10/75/27/159107527.db2.gz GWXUKUUFDLRWAJ-LYIQGSDWSA-N 0 0 310.354 0.114 10 0 DCAERN C[C@@]12CCCN1C[C@H](c1noc(CN3CCOCC3=O)n1)OC2 ZINC000329653054 159109275 /nfs/dbraw/zinc/10/92/75/159109275.db2.gz DPBUIAVGAASLQS-ABAIWWIYSA-N 0 0 322.365 0.354 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCC[C@H](n3cncn3)C2)s1 ZINC000329694178 159113245 /nfs/dbraw/zinc/11/32/45/159113245.db2.gz AYULOHDMSTZVAK-QMMMGPOBSA-N 0 0 314.396 0.224 10 0 DCAERN CN1CC(=O)N(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)C1=O ZINC000329733577 159115438 /nfs/dbraw/zinc/11/54/38/159115438.db2.gz JSGNNDHGBYTPHK-ZDUSSCGKSA-N 0 0 323.393 0.831 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ncn(C(C)(C)C)n1 ZINC000329741350 159116420 /nfs/dbraw/zinc/11/64/20/159116420.db2.gz OOVFXJDYTJHSNZ-CHWSQXEVSA-N 0 0 321.425 0.968 10 0 DCAERN O=C(c1cn2ccnc2s1)N1CCOC[C@@H]1c1ncon1 ZINC000329808342 159120893 /nfs/dbraw/zinc/12/08/93/159120893.db2.gz PICMGDFPMZYJHS-MRVPVSSYSA-N 0 0 305.319 0.993 10 0 DCAERN COCCC(=O)N1CCN(S(=O)(=O)CCC2CC2)CC1 ZINC000330002250 159134450 /nfs/dbraw/zinc/13/44/50/159134450.db2.gz YQIQCHXOIYAQKO-UHFFFAOYSA-N 0 0 304.412 0.297 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CCc2cncnc2C1 ZINC000330001221 159134632 /nfs/dbraw/zinc/13/46/32/159134632.db2.gz ADIJFQYWRDCFSK-UHFFFAOYSA-N 0 0 305.363 0.366 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000330008012 159135355 /nfs/dbraw/zinc/13/53/55/159135355.db2.gz FAYHNSWZQQKXQP-SNVBAGLBSA-N 0 0 312.395 0.071 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3ccncc23)[C@@H](C)C1 ZINC000330018614 159136448 /nfs/dbraw/zinc/13/64/48/159136448.db2.gz TUUGBLCDVMWQFR-RYUDHWBXSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)N1CCOCC1 ZINC000330069870 159139220 /nfs/dbraw/zinc/13/92/20/159139220.db2.gz HQHYRXTWTSPYLR-FMKPAKJESA-N 0 0 312.410 0.504 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330127475 159144156 /nfs/dbraw/zinc/14/41/56/159144156.db2.gz JBDHMOWASIGFFC-QWRGUYRKSA-N 0 0 323.422 0.822 10 0 DCAERN CO[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1OC ZINC000330177552 159148132 /nfs/dbraw/zinc/14/81/32/159148132.db2.gz KVYXPWQCRGBQJI-IYBDPMFKSA-N 0 0 317.389 0.969 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000330203671 159149713 /nfs/dbraw/zinc/14/97/13/159149713.db2.gz CCXAREWNUNWPLS-GZBFAFLISA-N 0 0 323.393 0.498 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000330232386 159152271 /nfs/dbraw/zinc/15/22/71/159152271.db2.gz XHWJWJKYZDYKRX-RMRHIDDWSA-N 0 0 323.393 0.760 10 0 DCAERN CCn1cnc2c(c1=O)CCN(Cc1cn(C(C)C)nn1)C2 ZINC000330246112 159153586 /nfs/dbraw/zinc/15/35/86/159153586.db2.gz LBKICEJYKWEWQW-UHFFFAOYSA-N 0 0 302.382 0.994 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCSC[C@@H]2CCO)c1 ZINC000330593326 159199054 /nfs/dbraw/zinc/19/90/54/159199054.db2.gz SLHXQEAJVHHZIK-JTQLQIEISA-N 0 0 305.425 0.392 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCSC[C@H]2CCO)c1 ZINC000330593328 159199145 /nfs/dbraw/zinc/19/91/45/159199145.db2.gz SLHXQEAJVHHZIK-SNVBAGLBSA-N 0 0 305.425 0.392 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000330624361 159205118 /nfs/dbraw/zinc/20/51/18/159205118.db2.gz GBZDHNWESPUTMJ-XQQFMLRXSA-N 0 0 300.399 0.272 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1=O ZINC000332727191 159210841 /nfs/dbraw/zinc/21/08/41/159210841.db2.gz GETAEJXGQKOBHT-GHMZBOCLSA-N 0 0 309.366 0.087 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000332727102 159211145 /nfs/dbraw/zinc/21/11/45/159211145.db2.gz RNVQJWKLBXWRDO-NWDGAFQWSA-N 0 0 305.382 0.681 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)CC1=O ZINC000332736544 159211460 /nfs/dbraw/zinc/21/14/60/159211460.db2.gz XZRGNLOHKYJCON-RYUDHWBXSA-N 0 0 309.410 0.951 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)[C@@]1(O)CCSC1 ZINC000332797102 159213786 /nfs/dbraw/zinc/21/37/86/159213786.db2.gz VDDJNDPUFIOMNB-IAQYHMDHSA-N 0 0 321.402 0.280 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)NC[C@H](C)N2CCOCC2)no1 ZINC000332813010 159214500 /nfs/dbraw/zinc/21/45/00/159214500.db2.gz PDHGKCINYOXARS-WCQYABFASA-N 0 0 323.397 0.945 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000332862449 159215541 /nfs/dbraw/zinc/21/55/41/159215541.db2.gz QXAUOUZMHBBDJN-FRRDWIJNSA-N 0 0 316.423 0.773 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@]12CCCO2 ZINC000332908206 159216748 /nfs/dbraw/zinc/21/67/48/159216748.db2.gz UOGLACBUBFXIAZ-DSJMHWKBSA-N 0 0 310.394 0.840 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000332921359 159217092 /nfs/dbraw/zinc/21/70/92/159217092.db2.gz QQDFSCNTAIFICZ-JQWIXIFHSA-N 0 0 308.407 0.695 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000364459287 159274474 /nfs/dbraw/zinc/27/44/74/159274474.db2.gz IZZRBOCQNSIFGB-DGCLKSJQSA-N 0 0 311.382 0.197 10 0 DCAERN COc1cccc2c1OCC[C@H]2NC(=O)CN1CCOCC1=O ZINC000365099793 159278123 /nfs/dbraw/zinc/27/81/23/159278123.db2.gz NHJYSOBJULWOFK-GFCCVEGCSA-N 0 0 320.345 0.494 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000366778852 159286676 /nfs/dbraw/zinc/28/66/76/159286676.db2.gz IGDOBCFGOBSQCF-XQHKEYJVSA-N 0 0 324.377 0.527 10 0 DCAERN CCn1nccc1C=CC(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000366789339 159287702 /nfs/dbraw/zinc/28/77/02/159287702.db2.gz QCPWBCPDFYBJOY-VBROQKIQSA-N 0 0 317.393 0.932 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1C[C@H](F)C[C@H]1CO)OCO2 ZINC000366860780 159294079 /nfs/dbraw/zinc/29/40/79/159294079.db2.gz CQHRMUOWXCMVCN-ZJUUUORDSA-N 0 0 317.338 0.817 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C[C@@H]1C ZINC000366894426 159295507 /nfs/dbraw/zinc/29/55/07/159295507.db2.gz UAYXBLFEXXTUSD-RWMBFGLXSA-N 0 0 310.394 0.950 10 0 DCAERN COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000366940619 159298650 /nfs/dbraw/zinc/29/86/50/159298650.db2.gz JTQBDXLTCMJDGY-LBPRGKRZSA-N 0 0 322.361 0.464 10 0 DCAERN CC(=O)CSCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367120733 159314388 /nfs/dbraw/zinc/31/43/88/159314388.db2.gz HWJSHSQXSACSJO-TZMCWYRMSA-N 0 0 315.435 0.993 10 0 DCAERN COCCOCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367239155 159323915 /nfs/dbraw/zinc/32/39/15/159323915.db2.gz SIRCOCYJMZJZAI-ZFWWWQNUSA-N 0 0 315.410 0.723 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000367330107 159331226 /nfs/dbraw/zinc/33/12/26/159331226.db2.gz LJQLTNRCJKNHKQ-AAEUAGOBSA-N 0 0 308.407 0.835 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000367493566 159341328 /nfs/dbraw/zinc/34/13/28/159341328.db2.gz SQBWFQWPCDZUHU-NSHDSACASA-N 0 0 304.350 0.741 10 0 DCAERN COCc1cnc(NC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000367580111 159345579 /nfs/dbraw/zinc/34/55/79/159345579.db2.gz LETBJVRUTFYAOW-JTQLQIEISA-N 0 0 312.395 0.838 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CNC(=O)COc1ccccc1 ZINC000367741284 159353276 /nfs/dbraw/zinc/35/32/76/159353276.db2.gz QDTJGFCMROFUJQ-ZDUSSCGKSA-N 0 0 306.362 0.819 10 0 DCAERN C[C@H](c1nncn1C)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000367875225 159361422 /nfs/dbraw/zinc/36/14/22/159361422.db2.gz SMFQXAMLLXICPA-SNVBAGLBSA-N 0 0 313.427 0.422 10 0 DCAERN Cn1nncc1CNC(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000367938852 159365959 /nfs/dbraw/zinc/36/59/59/159365959.db2.gz ORZVAEGIENFDIR-GFCCVEGCSA-N 0 0 300.366 0.743 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)nn1C ZINC000368260193 159384053 /nfs/dbraw/zinc/38/40/53/159384053.db2.gz MNYTVHUYFQRWNS-LBPRGKRZSA-N 0 0 316.365 0.770 10 0 DCAERN Cc1noc2ncc(C(=O)N3CCN4CCOC[C@H]4C3)cc12 ZINC000368323779 159387485 /nfs/dbraw/zinc/38/74/85/159387485.db2.gz JQTUBXBTOWAJRV-GFCCVEGCSA-N 0 0 302.334 0.688 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCc1cccc2c1OCO2 ZINC000372147586 159605147 /nfs/dbraw/zinc/60/51/47/159605147.db2.gz YOURVQLGWLHCLP-NSHDSACASA-N 0 0 306.318 0.061 10 0 DCAERN CN1CC[C@H](C(=O)N2CCN[C@@H](c3ccncc3)C2)CC1=O ZINC000374378146 159731720 /nfs/dbraw/zinc/73/17/20/159731720.db2.gz QBPDAGNRJIIEOX-UONOGXRCSA-N 0 0 302.378 0.423 10 0 DCAERN CN(Cc1cnccn1)S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000374848606 159754841 /nfs/dbraw/zinc/75/48/41/159754841.db2.gz WRMQHVTWRKBXKI-UHFFFAOYSA-N 0 0 307.379 0.830 10 0 DCAERN Cc1nc([C@H]2CCCCN2C(=O)CN2CCOCC2=O)no1 ZINC000375669342 159808826 /nfs/dbraw/zinc/80/88/26/159808826.db2.gz QKEHBHHMLJCONH-LLVKDONJSA-N 0 0 308.338 0.290 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cncnc1-n1cccn1 ZINC000376179014 159842956 /nfs/dbraw/zinc/84/29/56/159842956.db2.gz WMGQFFQNIFMTAO-NSHDSACASA-N 0 0 318.362 0.522 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407968555 159999181 /nfs/dbraw/zinc/99/91/81/159999181.db2.gz GNFKECAQXHCERA-SNVBAGLBSA-N 0 0 305.382 0.806 10 0 DCAERN O=C(CNC(=O)C1CCCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000407970189 159999467 /nfs/dbraw/zinc/99/94/67/159999467.db2.gz ZUPBLGPIPPLENS-UHFFFAOYSA-N 0 0 307.394 0.516 10 0 DCAERN C[C@H]1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1C ZINC000407972561 160000251 /nfs/dbraw/zinc/00/02/51/160000251.db2.gz UTMXGOWJJMYYBJ-LBPRGKRZSA-N 0 0 324.425 0.507 10 0 DCAERN CO[C@H](C)c1nsc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000407976859 160000512 /nfs/dbraw/zinc/00/05/12/160000512.db2.gz POXUOCAYOGZHEC-SFYZADRCSA-N 0 0 306.413 0.373 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000407979423 160001396 /nfs/dbraw/zinc/00/13/96/160001396.db2.gz ZPGSGAIWOWWYIZ-GXTWGEPZSA-N 0 0 323.437 0.864 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000407985206 160003183 /nfs/dbraw/zinc/00/31/83/160003183.db2.gz MOSZGRWQRUZTRR-ONGXEEELSA-N 0 0 308.382 0.106 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)C1 ZINC000407988983 160004527 /nfs/dbraw/zinc/00/45/27/160004527.db2.gz WFLNSYPTDRWQRG-OLZOCXBDSA-N 0 0 312.414 0.903 10 0 DCAERN Cc1ocnc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000407988537 160004842 /nfs/dbraw/zinc/00/48/42/160004842.db2.gz UVIURTDDWDGVJS-GFCCVEGCSA-N 0 0 307.350 0.694 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000407992151 160005109 /nfs/dbraw/zinc/00/51/09/160005109.db2.gz ZSQQQYYWVVOFKN-VXGBXAGGSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000407991647 160005513 /nfs/dbraw/zinc/00/55/13/160005513.db2.gz PNQHRMWTLVOCGU-SKDRFNHKSA-N 0 0 308.300 0.771 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)c2cncc(F)c2)CC1 ZINC000407994584 160005867 /nfs/dbraw/zinc/00/58/67/160005867.db2.gz CZTRZOYFCKTCBN-UHFFFAOYSA-N 0 0 315.370 0.710 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CC[C@H](O)C3)CC2)n1 ZINC000407996857 160006144 /nfs/dbraw/zinc/00/61/44/160006144.db2.gz CRZMEJFVYCGUDH-LBPRGKRZSA-N 0 0 306.366 0.295 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCC[C@H]3COCC[C@@H]32)C1=O ZINC000408002210 160007816 /nfs/dbraw/zinc/00/78/16/160007816.db2.gz DIRHVTKLYHBHRZ-STQMWFEESA-N 0 0 323.393 0.688 10 0 DCAERN COC(=O)C12CCC(C(=O)N[C@@H]3CCC(=O)NC3)(CC1)CC2 ZINC000408000646 160007941 /nfs/dbraw/zinc/00/79/41/160007941.db2.gz FNYMKOVNQCHIFW-VHWKEVPUSA-N 0 0 308.378 0.895 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)C1 ZINC000408011142 160010624 /nfs/dbraw/zinc/01/06/24/160010624.db2.gz SNPRFBMCTUANSA-GARJFASQSA-N 0 0 308.300 0.769 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)o1 ZINC000408015088 160010967 /nfs/dbraw/zinc/01/09/67/160010967.db2.gz AAJGHDZXGWDKDB-NWDGAFQWSA-N 0 0 300.380 0.682 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000408014725 160011476 /nfs/dbraw/zinc/01/14/76/160011476.db2.gz RKKOPTPPDCRRMQ-QJPTWQEYSA-N 0 0 305.444 0.413 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408016019 160011984 /nfs/dbraw/zinc/01/19/84/160011984.db2.gz HBWPRVORZXMAFT-OLZOCXBDSA-N 0 0 306.428 0.146 10 0 DCAERN Cn1ncc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C1CC1 ZINC000408019915 160012649 /nfs/dbraw/zinc/01/26/49/160012649.db2.gz IMMMAWWETHBGCN-SNVBAGLBSA-N 0 0 312.395 0.061 10 0 DCAERN CN(C(=O)NC[C@]1(C)CCCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000408020029 160012899 /nfs/dbraw/zinc/01/28/99/160012899.db2.gz YSPXBDBRLOTOIF-DYEKYZERSA-N 0 0 318.439 0.756 10 0 DCAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cncc(F)c3)[C@H]2C1 ZINC000408026392 160014902 /nfs/dbraw/zinc/01/49/02/160014902.db2.gz DQVXGUCGUPALQR-QWHCGFSZSA-N 0 0 315.370 0.314 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)cc12 ZINC000408031935 160016535 /nfs/dbraw/zinc/01/65/35/160016535.db2.gz YPBXKFMFIPVSTR-RDDDGLTNSA-N 0 0 324.362 0.273 10 0 DCAERN Cc1noc([C@@H]2CCN(S(=O)(=O)N(C)CC(C)C)C2)n1 ZINC000408031478 160016537 /nfs/dbraw/zinc/01/65/37/160016537.db2.gz NGAMQJFLWXWKPM-LLVKDONJSA-N 0 0 302.400 1.000 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CCO1 ZINC000408030327 160016986 /nfs/dbraw/zinc/01/69/86/160016986.db2.gz FYGUFSVNOFYCFG-VXGBXAGGSA-N 0 0 312.366 0.034 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCN2C)n1 ZINC000408036487 160018305 /nfs/dbraw/zinc/01/83/05/160018305.db2.gz UIFUVSUPESVZJI-GFCCVEGCSA-N 0 0 317.349 0.504 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)CC3(O)CCCC3)CCN2C)n1 ZINC000408037145 160018508 /nfs/dbraw/zinc/01/85/08/160018508.db2.gz ZZJQFZKUPGPFHE-GFCCVEGCSA-N 0 0 308.382 0.888 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000408036939 160018909 /nfs/dbraw/zinc/01/89/09/160018909.db2.gz XGYWZUXDMXWUQY-BBRMVZONSA-N 0 0 322.409 0.694 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1COCCN1C)CC2 ZINC000408038320 160019892 /nfs/dbraw/zinc/01/98/92/160019892.db2.gz KAQWDFUUDJVCAR-HZSPNIEDSA-N 0 0 312.410 0.096 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000408042362 160020536 /nfs/dbraw/zinc/02/05/36/160020536.db2.gz KSWZLWFKSUKUOR-CKIKVBCHSA-N 0 0 322.409 0.210 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@]2(O)CCSC2)CC1(C)C ZINC000408045295 160021957 /nfs/dbraw/zinc/02/19/57/160021957.db2.gz YWTIKPZCAHJYNO-AWEZNQCLSA-N 0 0 300.424 0.712 10 0 DCAERN C[C@@H]1CC[S@](=O)CCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000408044806 160022006 /nfs/dbraw/zinc/02/20/06/160022006.db2.gz WUKUMBTXLJCXFT-BTKVJGODSA-N 0 0 310.379 0.555 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000408047151 160022445 /nfs/dbraw/zinc/02/24/45/160022445.db2.gz OIVDKBFMYSZADU-FQUUOJAGSA-N 0 0 300.374 0.561 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000408048043 160023090 /nfs/dbraw/zinc/02/30/90/160023090.db2.gz KSPIFHFJBXMMFM-HNNXBMFYSA-N 0 0 308.382 0.950 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408047153 160023163 /nfs/dbraw/zinc/02/31/63/160023163.db2.gz OIVDKBFMYSZADU-XDQVBPFNSA-N 0 0 300.374 0.561 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc4nccnc4c3)CC[C@@H]21 ZINC000408053743 160024263 /nfs/dbraw/zinc/02/42/63/160024263.db2.gz ZBMPABWQGBBVDZ-KGLIPLIRSA-N 0 0 311.345 0.868 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000408053505 160024601 /nfs/dbraw/zinc/02/46/01/160024601.db2.gz VCQIJVOSCCNOOB-RRFJBIMHSA-N 0 0 324.421 0.633 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408066658 160027414 /nfs/dbraw/zinc/02/74/14/160027414.db2.gz AWRYUQIBKRGCOW-GHMZBOCLSA-N 0 0 322.365 0.788 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408066427 160027504 /nfs/dbraw/zinc/02/75/04/160027504.db2.gz YCZZIWKDBLTBOA-SYQHCUMBSA-N 0 0 310.394 0.386 10 0 DCAERN C[C@@H]1COCCN1CCNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000408076535 160029942 /nfs/dbraw/zinc/02/99/42/160029942.db2.gz KDSXKEZWTZMNLE-QWHCGFSZSA-N 0 0 305.444 0.273 10 0 DCAERN C[C@@H]1CC(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000408076614 160030075 /nfs/dbraw/zinc/03/00/75/160030075.db2.gz LHFFSFOPGPBJTR-FOGDFJRCSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000408081881 160031733 /nfs/dbraw/zinc/03/17/33/160031733.db2.gz FMEBEZUIMUZARE-HBNTYKKESA-N 0 0 306.366 0.640 10 0 DCAERN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000408091580 160033186 /nfs/dbraw/zinc/03/31/86/160033186.db2.gz VGLWWPOGDLPGKS-RKDXNWHRSA-N 0 0 302.400 0.791 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408090561 160033226 /nfs/dbraw/zinc/03/32/26/160033226.db2.gz DFCAYTAXOXLQFT-GRYCIOLGSA-N 0 0 323.397 0.672 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408094291 160034126 /nfs/dbraw/zinc/03/41/26/160034126.db2.gz RWRTVACNICCDLV-VXNVDRBHSA-N 0 0 318.420 0.547 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408106072 160037057 /nfs/dbraw/zinc/03/70/57/160037057.db2.gz WXJFNTWVYCBNAW-WXRRBKDZSA-N 0 0 318.439 0.179 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C)C[C@@H]1C ZINC000408113349 160038711 /nfs/dbraw/zinc/03/87/11/160038711.db2.gz RPNJUFJAPVJXGD-QWHCGFSZSA-N 0 0 317.455 0.353 10 0 DCAERN C[C@@H]1CCCCCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000408115617 160039587 /nfs/dbraw/zinc/03/95/87/160039587.db2.gz PEEWXDZWXUVXRV-SNVBAGLBSA-N 0 0 300.384 0.322 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408114861 160039791 /nfs/dbraw/zinc/03/97/91/160039791.db2.gz GPDNCTSRKVJBIU-NEPJUHHUSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@](F)(CO)C3)cnc12 ZINC000408119345 160040147 /nfs/dbraw/zinc/04/01/47/160040147.db2.gz HASLDQRLPRAYNK-MRXNPFEDSA-N 0 0 319.336 0.940 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408124368 160042286 /nfs/dbraw/zinc/04/22/86/160042286.db2.gz URPSLJMLEGOFGM-UHFFFAOYSA-N 0 0 321.443 0.189 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408126931 160042749 /nfs/dbraw/zinc/04/27/49/160042749.db2.gz CBXSMSZSHMKORW-CABCVRRESA-N 0 0 321.421 0.858 10 0 DCAERN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000408126362 160042760 /nfs/dbraw/zinc/04/27/60/160042760.db2.gz NEDMRAFJPHDNKO-LBPRGKRZSA-N 0 0 305.382 0.701 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CC[C@H](C)C2)C[C@@H]1C ZINC000408134251 160044101 /nfs/dbraw/zinc/04/41/01/160044101.db2.gz RNVGGFRTBAJPGW-STQMWFEESA-N 0 0 305.444 0.226 10 0 DCAERN COCCN1CCN(S(=O)(=O)N(C)CC(C)C)C[C@H]1C ZINC000408135921 160045082 /nfs/dbraw/zinc/04/50/82/160045082.db2.gz ZXPVWHSNNUDVOI-CYBMUJFWSA-N 0 0 307.460 0.472 10 0 DCAERN C[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)[C@@H]1CO ZINC000408136569 160045203 /nfs/dbraw/zinc/04/52/03/160045203.db2.gz FVIULWXFXSPTBR-WCQYABFASA-N 0 0 301.346 0.928 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000408145627 160047784 /nfs/dbraw/zinc/04/77/84/160047784.db2.gz JQAAJULIQMIOSD-BFHYXJOUSA-N 0 0 321.421 0.810 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000408149305 160048445 /nfs/dbraw/zinc/04/84/45/160048445.db2.gz KTJIABXAFYYPML-QWRGUYRKSA-N 0 0 314.382 0.916 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408152277 160049037 /nfs/dbraw/zinc/04/90/37/160049037.db2.gz YOTUHKJXDWIWRW-MGPQQGTHSA-N 0 0 311.426 0.613 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000408166422 160050984 /nfs/dbraw/zinc/05/09/84/160050984.db2.gz YJZDCHBPQBYGFQ-QMMMGPOBSA-N 0 0 311.279 0.167 10 0 DCAERN Cc1noc2ncc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc12 ZINC000408179629 160053410 /nfs/dbraw/zinc/05/34/10/160053410.db2.gz GBKIIXOZTWTLLP-JTQLQIEISA-N 0 0 324.362 0.295 10 0 DCAERN Cn1cc([C@@H]2[C@H](C(=O)N3CCOCC3)CCC(=O)N2C)cn1 ZINC000408175830 160053587 /nfs/dbraw/zinc/05/35/87/160053587.db2.gz ZKRJBPMAMHHZGJ-TZMCWYRMSA-N 0 0 306.366 0.188 10 0 DCAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408185101 160054848 /nfs/dbraw/zinc/05/48/48/160054848.db2.gz BBRORIMTPFHNAG-LLVKDONJSA-N 0 0 314.411 0.581 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCOCC3(CCOCC3)C2)cn1 ZINC000408190267 160055838 /nfs/dbraw/zinc/05/58/38/160055838.db2.gz VNUYVZCABNTISM-UHFFFAOYSA-N 0 0 319.361 0.450 10 0 DCAERN C[C@H]1N(C(=O)CCCN2C(=O)CNC2=O)CCC12CCOCC2 ZINC000408197522 160057619 /nfs/dbraw/zinc/05/76/19/160057619.db2.gz INOXEBWOXLIGGQ-GFCCVEGCSA-N 0 0 323.393 0.736 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408198837 160058283 /nfs/dbraw/zinc/05/82/83/160058283.db2.gz VVGGRZNOGMVPQU-SNVBAGLBSA-N 0 0 313.423 0.615 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408206195 160060019 /nfs/dbraw/zinc/06/00/19/160060019.db2.gz SQWIQXSWBORSCN-NXEZZACHSA-N 0 0 314.411 0.618 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408206389 160060308 /nfs/dbraw/zinc/06/03/08/160060308.db2.gz TVHVOMPABNFRBO-CHWSQXEVSA-N 0 0 309.410 0.618 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCCc2n[nH]cc21 ZINC000408207726 160060320 /nfs/dbraw/zinc/06/03/20/160060320.db2.gz TWFCWEKUDYZJLB-CABZTGNLSA-N 0 0 313.379 0.834 10 0 DCAERN C[C@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC[S@@]1=O ZINC000408212798 160061688 /nfs/dbraw/zinc/06/16/88/160061688.db2.gz ZPDSAIYZOIILRG-MQJDWESPSA-N 0 0 315.439 0.598 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000408219549 160062370 /nfs/dbraw/zinc/06/23/70/160062370.db2.gz OHPWATOVUTVQOT-JTQLQIEISA-N 0 0 313.441 0.250 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408218582 160062430 /nfs/dbraw/zinc/06/24/30/160062430.db2.gz SUPQBYXKZWBRKG-GHMZBOCLSA-N 0 0 311.382 0.733 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408223182 160062938 /nfs/dbraw/zinc/06/29/38/160062938.db2.gz SURQUYKQBCIYQW-MFKMUULPSA-N 0 0 306.428 0.229 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]1OC ZINC000408229109 160064209 /nfs/dbraw/zinc/06/42/09/160064209.db2.gz MVAUDUWUYJWUOH-NWBUJAPZSA-N 0 0 322.427 0.122 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408231752 160064674 /nfs/dbraw/zinc/06/46/74/160064674.db2.gz PGJVFHOHDWYJRE-WPRPVWTQSA-N 0 0 310.366 0.818 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cn1C ZINC000408237751 160067122 /nfs/dbraw/zinc/06/71/22/160067122.db2.gz OURKGWBPWMYFEH-JMJZKYOTSA-N 0 0 312.395 0.016 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000408241316 160067766 /nfs/dbraw/zinc/06/77/66/160067766.db2.gz VMRADMZGWFTMTQ-JTQLQIEISA-N 0 0 300.384 0.099 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@@H](O)C1(C)C ZINC000408246748 160068341 /nfs/dbraw/zinc/06/83/41/160068341.db2.gz LEVRAAMLHFRYIC-LLVKDONJSA-N 0 0 304.350 0.962 10 0 DCAERN COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@H]1CCCO1 ZINC000408246046 160068354 /nfs/dbraw/zinc/06/83/54/160068354.db2.gz YMNXEQUAGGEPLD-GRYCIOLGSA-N 0 0 320.411 0.009 10 0 DCAERN NC(=O)c1csc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000408248670 160068990 /nfs/dbraw/zinc/06/89/90/160068990.db2.gz WSODVPIXLMPPRR-AWEZNQCLSA-N 0 0 307.375 0.589 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(C(N)=O)s2)CCS1(=O)=O ZINC000408248510 160069176 /nfs/dbraw/zinc/06/91/76/160069176.db2.gz DXWVSHCOSOYBRD-UHFFFAOYSA-N 0 0 316.404 0.496 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248642 160069424 /nfs/dbraw/zinc/06/94/24/160069424.db2.gz WMIVDYAUCDOUPR-SUMWQHHRSA-N 0 0 321.421 0.906 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000408250307 160069893 /nfs/dbraw/zinc/06/98/93/160069893.db2.gz KSSWLCSBCIUUBL-TXEJJXNPSA-N 0 0 310.375 0.598 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000408256894 160070805 /nfs/dbraw/zinc/07/08/05/160070805.db2.gz PEWAJELTSDKCTE-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@H](O)C(C)(C)C3)cnc12 ZINC000408266937 160072703 /nfs/dbraw/zinc/07/27/03/160072703.db2.gz VMWFKSNKRAAGGR-LBPRGKRZSA-N 0 0 301.346 0.846 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1C(C)(C)C1(C)C ZINC000408274978 160074201 /nfs/dbraw/zinc/07/42/01/160074201.db2.gz RACMYWKMXVLGIR-JTQLQIEISA-N 0 0 309.410 0.522 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408276608 160074402 /nfs/dbraw/zinc/07/44/02/160074402.db2.gz JSXAJPJGUHVBDG-VDDIYKPWSA-N 0 0 309.370 0.074 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1C ZINC000408279328 160074864 /nfs/dbraw/zinc/07/48/64/160074864.db2.gz ZANINKHPRWXKSB-VDDIYKPWSA-N 0 0 309.370 0.074 10 0 DCAERN Cc1nc2ccc(C(=O)N3CCN(C(=O)CO)CC3)cc2o1 ZINC000408291330 160077462 /nfs/dbraw/zinc/07/74/62/160077462.db2.gz NTGYAWGDSHCBGW-UHFFFAOYSA-N 0 0 303.318 0.413 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)C1 ZINC000408292602 160077585 /nfs/dbraw/zinc/07/75/85/160077585.db2.gz DIRIXQRJJOMJMP-QWHCGFSZSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CO1 ZINC000408298152 160078962 /nfs/dbraw/zinc/07/89/62/160078962.db2.gz MHEYJLAKJCHFGU-STQMWFEESA-N 0 0 319.409 0.616 10 0 DCAERN CCn1cnc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000408301364 160079951 /nfs/dbraw/zinc/07/99/51/160079951.db2.gz RUWWKGIUSHQZJL-NWDGAFQWSA-N 0 0 300.428 0.864 10 0 DCAERN CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408301860 160080035 /nfs/dbraw/zinc/08/00/35/160080035.db2.gz CVHUWDDZDXAFOD-MGPQQGTHSA-N 0 0 319.471 0.803 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC)c1 ZINC000408301101 160080085 /nfs/dbraw/zinc/08/00/85/160080085.db2.gz NZYJOBAAENDVSS-SNVBAGLBSA-N 0 0 300.384 0.192 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cc(C(N)=O)co2)C[C@]2(CCOC2)O1 ZINC000408306453 160081519 /nfs/dbraw/zinc/08/15/19/160081519.db2.gz QERYIYLACXYLBH-BMIGLBTASA-N 0 0 323.349 0.468 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408308342 160082393 /nfs/dbraw/zinc/08/23/93/160082393.db2.gz VPNOASWULVEHKV-UPJWGTAASA-N 0 0 324.425 0.729 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408309654 160082705 /nfs/dbraw/zinc/08/27/05/160082705.db2.gz OJDWNTSEPDYPTA-UHFFFAOYSA-N 0 0 302.318 0.679 10 0 DCAERN C[C@@H](C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319475 160084003 /nfs/dbraw/zinc/08/40/03/160084003.db2.gz JBHVOMZLWBIWLY-ZIAGYGMSSA-N 0 0 323.437 0.424 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)O1 ZINC000408321254 160084518 /nfs/dbraw/zinc/08/45/18/160084518.db2.gz ONSHLRJKHDHYKH-ZYHUDNBSSA-N 0 0 304.412 0.436 10 0 DCAERN COCCC(=O)N1CCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408322768 160085064 /nfs/dbraw/zinc/08/50/64/160085064.db2.gz WBBMPFZGUQBJDF-STQMWFEESA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)O1 ZINC000408321343 160085137 /nfs/dbraw/zinc/08/51/37/160085137.db2.gz SLVNAAGSVXGLEB-WOPDTQHZSA-N 0 0 304.412 0.484 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@H]1CCC[C@H]1CCO)C2 ZINC000408324232 160085418 /nfs/dbraw/zinc/08/54/18/160085418.db2.gz JTSMCDXGMWGJSB-AAEUAGOBSA-N 0 0 320.393 0.399 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324971 160085742 /nfs/dbraw/zinc/08/57/42/160085742.db2.gz UEKDUEZLLCTOKC-UHFFFAOYSA-N 0 0 314.411 0.115 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@H](C)S1=O ZINC000408342455 160088234 /nfs/dbraw/zinc/08/82/34/160088234.db2.gz KPDLOHGGCIZKAO-UWVGGRQHSA-N 0 0 322.386 0.999 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000408340007 160088251 /nfs/dbraw/zinc/08/82/51/160088251.db2.gz MWKXZHOOFPSRNN-JTQLQIEISA-N 0 0 300.384 0.144 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)[S@@](C)=O ZINC000408341163 160088326 /nfs/dbraw/zinc/08/83/26/160088326.db2.gz ZBRKZUHCNUWGSB-GABTYQIGSA-N 0 0 312.457 0.087 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)C[C@H](C)O1 ZINC000408345873 160088904 /nfs/dbraw/zinc/08/89/04/160088904.db2.gz NOJXQYHIMWMXNK-SCRDCRAPSA-N 0 0 310.394 0.302 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ncnn1CC(F)F ZINC000408358969 160091411 /nfs/dbraw/zinc/09/14/11/160091411.db2.gz RNMXIGHYLACLAG-BDAKNGLRSA-N 0 0 308.354 0.551 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)s1 ZINC000408366404 160093226 /nfs/dbraw/zinc/09/32/26/160093226.db2.gz MECWVACXVAUQJE-JTQLQIEISA-N 0 0 304.437 0.744 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000408371194 160093809 /nfs/dbraw/zinc/09/38/09/160093809.db2.gz WFZSSFFPLFUHAO-TXEJJXNPSA-N 0 0 309.453 0.873 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(C(F)F)CC1 ZINC000408374258 160094642 /nfs/dbraw/zinc/09/46/42/160094642.db2.gz HGPAWIPUHYLEOD-VIFPVBQESA-N 0 0 308.350 0.526 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408376833 160095089 /nfs/dbraw/zinc/09/50/89/160095089.db2.gz YJQHLXBXNHERFD-WDEREUQCSA-N 0 0 316.423 0.154 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408376825 160095130 /nfs/dbraw/zinc/09/51/30/160095130.db2.gz YJQHLXBXNHERFD-GHMZBOCLSA-N 0 0 316.423 0.154 10 0 DCAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCO[C@H](CO)C1 ZINC000408378428 160095232 /nfs/dbraw/zinc/09/52/32/160095232.db2.gz DXCFEIKZDIWRTG-LBPRGKRZSA-N 0 0 305.334 0.796 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC(=O)N[C@H]3CCCC[C@H]32)nc1 ZINC000408380013 160095961 /nfs/dbraw/zinc/09/59/61/160095961.db2.gz SASLXAKYMHSSIX-NWDGAFQWSA-N 0 0 309.391 0.733 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408379265 160095968 /nfs/dbraw/zinc/09/59/68/160095968.db2.gz ZDOOCJWIOQDPPX-LLVKDONJSA-N 0 0 316.354 0.459 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCCN2C)CCS1(=O)=O ZINC000408379882 160096232 /nfs/dbraw/zinc/09/62/32/160096232.db2.gz QHZHWLJEXFCOLY-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCn2ccnc2C1 ZINC000408384345 160096623 /nfs/dbraw/zinc/09/66/23/160096623.db2.gz JJIXREXIBHQXFT-UHFFFAOYSA-N 0 0 301.759 0.475 10 0 DCAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000408386577 160097568 /nfs/dbraw/zinc/09/75/68/160097568.db2.gz PGLMUFVVDCYHRZ-VIFPVBQESA-N 0 0 306.819 0.788 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408385970 160097667 /nfs/dbraw/zinc/09/76/67/160097667.db2.gz MZCWRFXQCZPHPG-VIFPVBQESA-N 0 0 320.802 0.363 10 0 DCAERN Cc1[nH]nc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1C ZINC000408399454 160100400 /nfs/dbraw/zinc/10/04/00/160100400.db2.gz HSDISLWQMGLEIR-NSHDSACASA-N 0 0 314.411 0.569 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000408400330 160101374 /nfs/dbraw/zinc/10/13/74/160101374.db2.gz QVYYLGLTAUJGKW-VIFPVBQESA-N 0 0 300.384 0.053 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)NC(=O)NC1=O ZINC000408402044 160101412 /nfs/dbraw/zinc/10/14/12/160101412.db2.gz JPQYLBIDGNUCDR-HWWQOWPSSA-N 0 0 323.393 0.925 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000408407225 160101945 /nfs/dbraw/zinc/10/19/45/160101945.db2.gz QBXKECHOGMUKFJ-QWHCGFSZSA-N 0 0 320.397 0.732 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000408411440 160102940 /nfs/dbraw/zinc/10/29/40/160102940.db2.gz HMNVQUOXLUQPSR-USZNOCQGSA-N 0 0 304.412 0.244 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000408425186 160105353 /nfs/dbraw/zinc/10/53/53/160105353.db2.gz FFPYKBQTLNVCLK-WOPDTQHZSA-N 0 0 304.412 0.820 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000408434878 160107794 /nfs/dbraw/zinc/10/77/94/160107794.db2.gz JJERHYQXJZNLGN-WOPDTQHZSA-N 0 0 323.397 0.672 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC000408445690 160109381 /nfs/dbraw/zinc/10/93/81/160109381.db2.gz YQURTJQGVOBPNP-QWHCGFSZSA-N 0 0 312.366 0.034 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 ZINC000408449072 160110076 /nfs/dbraw/zinc/11/00/76/160110076.db2.gz DSCROSRZYMOOAB-ABAIWWIYSA-N 0 0 319.365 0.262 10 0 DCAERN C[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCN1CCO ZINC000408454861 160112001 /nfs/dbraw/zinc/11/20/01/160112001.db2.gz CGIYJIMRJQZOPO-ZETCQYMHSA-N 0 0 305.787 0.641 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CC(=O)N[C@@H](C)C3)cnc2n1 ZINC000408462471 160113490 /nfs/dbraw/zinc/11/34/90/160113490.db2.gz DFCOUIBWKYJNRH-VIFPVBQESA-N 0 0 300.318 0.604 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000408461780 160113618 /nfs/dbraw/zinc/11/36/18/160113618.db2.gz WUYVFLGSQYWKDS-AVGNSLFASA-N 0 0 306.428 0.004 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C[C@@H]2CCCC[C@H]2O)n1 ZINC000408466955 160114199 /nfs/dbraw/zinc/11/41/99/160114199.db2.gz JYAGOYGEHNDVAQ-UMSGYPCISA-N 0 0 309.366 0.954 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)CCc1ccccc1O ZINC000031222680 286884516 /nfs/dbraw/zinc/88/45/16/286884516.db2.gz KZBVTSYPYZPXGE-UHFFFAOYSA-N 0 0 300.380 0.380 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)c[nH]1 ZINC000091783457 286936707 /nfs/dbraw/zinc/93/67/07/286936707.db2.gz NDLSFUUDSJLDCY-QMMMGPOBSA-N 0 0 302.128 0.104 10 0 DCAERN Cc1ccc(CCNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000111356376 286942204 /nfs/dbraw/zinc/94/22/04/286942204.db2.gz QSXKBAFKPHDWBA-BETUJISGSA-N 0 0 313.423 0.876 10 0 DCAERN O=C([C@H]1CCCn2ccnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000176459437 304444010 /nfs/dbraw/zinc/44/40/10/304444010.db2.gz SLGQMWDZEFLNGB-KBPBESRZSA-N 0 0 304.394 0.694 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1F ZINC000123355919 286959869 /nfs/dbraw/zinc/95/98/69/286959869.db2.gz HHQCWACUNSCDAV-CPCISQLKSA-N 0 0 311.288 0.783 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1c(C)onc1CC ZINC000125313221 286966157 /nfs/dbraw/zinc/96/61/57/286966157.db2.gz XCQOCQSEEVMYLS-NSHDSACASA-N 0 0 322.365 0.611 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1F ZINC000125342366 286966351 /nfs/dbraw/zinc/96/63/51/286966351.db2.gz ITKZROHQPWLWLE-SECBINFHSA-N 0 0 307.325 0.674 10 0 DCAERN CNC(=O)NCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000127165253 286976282 /nfs/dbraw/zinc/97/62/82/286976282.db2.gz JVPHBGWFEGQDOY-UHFFFAOYSA-N 0 0 301.350 0.760 10 0 DCAERN O=C(Nc1cccnc1N1CCC(CO)CC1)c1cn[nH]n1 ZINC000131402064 287000456 /nfs/dbraw/zinc/00/04/56/287000456.db2.gz RIRBFOJSNJZUSV-UHFFFAOYSA-N 0 0 302.338 0.661 10 0 DCAERN Cc1ccc(OC[C@@H](O)Cn2nnc3c(cnn3C)c2=O)cc1 ZINC000133061136 287008587 /nfs/dbraw/zinc/00/85/87/287008587.db2.gz JYUSEVOLLRJTFF-NSHDSACASA-N 0 0 315.333 0.273 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccs2)O1 ZINC000133211876 287009585 /nfs/dbraw/zinc/00/95/85/287009585.db2.gz VTNGOAMLRQWMRD-UWVGGRQHSA-N 0 0 318.420 0.710 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000135035872 287019955 /nfs/dbraw/zinc/01/99/55/287019955.db2.gz MNUFEVAXECLCMX-JTQLQIEISA-N 0 0 310.366 0.962 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000136015063 287025303 /nfs/dbraw/zinc/02/53/03/287025303.db2.gz QDDKZPKZEMEIJH-NSHDSACASA-N 0 0 315.337 0.405 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000135505911 287022827 /nfs/dbraw/zinc/02/28/27/287022827.db2.gz IEEGCZRIFQXHIM-AAVRWANBSA-N 0 0 320.455 0.583 10 0 DCAERN Cc1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c(=O)[nH]c1C ZINC000136272661 287025814 /nfs/dbraw/zinc/02/58/14/287025814.db2.gz FWJVEKIRUOXDSW-UHFFFAOYSA-N 0 0 311.305 0.819 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000151877941 287036551 /nfs/dbraw/zinc/03/65/51/287036551.db2.gz BDGBNHZQURKHHJ-SECBINFHSA-N 0 0 323.315 0.572 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000152147432 287038961 /nfs/dbraw/zinc/03/89/61/287038961.db2.gz VRIMNAHNHOKHGO-ZDUSSCGKSA-N 0 0 320.393 0.620 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(-c2cccnc2)on1 ZINC000152152115 287039012 /nfs/dbraw/zinc/03/90/12/287039012.db2.gz RHEQIWQEPCVKJS-SECBINFHSA-N 0 0 300.274 0.272 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc(-c2ncco2)cc1 ZINC000153232242 287048504 /nfs/dbraw/zinc/04/85/04/287048504.db2.gz KAAPRFRAPDGVQW-UHFFFAOYSA-N 0 0 300.274 0.832 10 0 DCAERN CC[C@H]1CN(CC(=O)NCCCOC)CCN1CC(F)F ZINC000153319048 287049164 /nfs/dbraw/zinc/04/91/64/287049164.db2.gz HMJZRGFZODLGLJ-LBPRGKRZSA-N 0 0 307.385 0.800 10 0 DCAERN C[C@]1(O)CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)C1 ZINC000177365226 287054684 /nfs/dbraw/zinc/05/46/84/287054684.db2.gz XKSOLEGJRJQOIS-SFHVURJKSA-N 0 0 317.433 0.788 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N1CCSCC1 ZINC000180996473 287055772 /nfs/dbraw/zinc/05/57/72/287055772.db2.gz KNTLJPPOCDOPGJ-UHFFFAOYSA-N 0 0 317.374 0.986 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000180996457 287056001 /nfs/dbraw/zinc/05/60/01/287056001.db2.gz BIPAGWOMBMRTGO-CQSZACIVSA-N 0 0 304.390 0.898 10 0 DCAERN Cn1c(CN2CCN(S(C)(=O)=O)CC2)nnc1C1CCC1 ZINC000181029453 287056323 /nfs/dbraw/zinc/05/63/23/287056323.db2.gz JUGMRXRYCVGGOR-UHFFFAOYSA-N 0 0 313.427 0.160 10 0 DCAERN C[C@H](CNC(=O)N[C@H](CCO)c1ccco1)N1CCOCC1 ZINC000187122268 287058414 /nfs/dbraw/zinc/05/84/14/287058414.db2.gz MKXXPSWPHDPACH-CHWSQXEVSA-N 0 0 311.382 0.723 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187136967 287058466 /nfs/dbraw/zinc/05/84/66/287058466.db2.gz JJUFOIZCTZRZLT-MNOVXSKESA-N 0 0 320.397 0.548 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000194738186 287062092 /nfs/dbraw/zinc/06/20/92/287062092.db2.gz IHXZALPHKUXAHT-LBPRGKRZSA-N 0 0 315.373 0.883 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2cscn2)[C@@H](C)CO1 ZINC000245463648 287069503 /nfs/dbraw/zinc/06/95/03/287069503.db2.gz OWVKOHVSULHCEX-VHSXEESVSA-N 0 0 305.425 0.629 10 0 DCAERN CC[C@@H]1CN([C@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000245736765 287072535 /nfs/dbraw/zinc/07/25/35/287072535.db2.gz KPLSNVBTRJNPHM-GHMZBOCLSA-N 0 0 321.368 0.325 10 0 DCAERN CCCCN(CCCO)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246022850 287075337 /nfs/dbraw/zinc/07/53/37/287075337.db2.gz LNZGLCZSRWUDBJ-STQMWFEESA-N 0 0 308.444 0.825 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000246032314 287075422 /nfs/dbraw/zinc/07/54/22/287075422.db2.gz NTKRDFAMABGUTL-WOPDTQHZSA-N 0 0 306.366 0.518 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000246056117 287075771 /nfs/dbraw/zinc/07/57/71/287075771.db2.gz DDLHCUWYLFQIIF-MCIONIFRSA-N 0 0 308.426 0.733 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@H]2O)[C@@H](C)CO1 ZINC000246211774 287079276 /nfs/dbraw/zinc/07/92/76/287079276.db2.gz RXXLLTXIAVCRPL-DGAVXFQQSA-N 0 0 320.455 0.871 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)C2CCCCC2)[C@@H](C)CO1 ZINC000246192324 287078625 /nfs/dbraw/zinc/07/86/25/287078625.db2.gz NQZIAKHECSZNSL-SCRDCRAPSA-N 0 0 320.455 0.871 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246418951 287083173 /nfs/dbraw/zinc/08/31/73/287083173.db2.gz VKRYCYNMHQNTMZ-CHWSQXEVSA-N 0 0 317.455 0.114 10 0 DCAERN CN(C(=O)N[C@H]1CCOC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246426354 287083739 /nfs/dbraw/zinc/08/37/39/287083739.db2.gz AXGXJHFFYPGTDV-QWHCGFSZSA-N 0 0 305.382 0.876 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246486325 287084354 /nfs/dbraw/zinc/08/43/54/287084354.db2.gz GWYBBNPOUQIMEN-VXGBXAGGSA-N 0 0 305.382 0.708 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(N)=O)C1 ZINC000246528429 287085171 /nfs/dbraw/zinc/08/51/71/287085171.db2.gz WJOLGWUZVOICGL-IJLUTSLNSA-N 0 0 303.428 0.597 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)C1CCOCC1 ZINC000246620457 287086266 /nfs/dbraw/zinc/08/62/66/287086266.db2.gz VUKLTUWVEUSOIN-TUAOUCFPSA-N 0 0 306.428 0.745 10 0 DCAERN CC(C)N1CC[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000246688271 287086728 /nfs/dbraw/zinc/08/67/28/287086728.db2.gz IEWJOHCAZKKCGI-RYUDHWBXSA-N 0 0 303.428 0.562 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000247006098 287090179 /nfs/dbraw/zinc/09/01/79/287090179.db2.gz ISCIMSXOPXQVOU-AGIUHOORSA-N 0 0 309.410 0.795 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247105937 287090823 /nfs/dbraw/zinc/09/08/23/287090823.db2.gz QTWHNPWCWBLJMF-KGLIPLIRSA-N 0 0 319.405 0.847 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CCN1CCOC ZINC000248891865 287103194 /nfs/dbraw/zinc/10/31/94/287103194.db2.gz FXQUHZGQYIIMFP-MCIONIFRSA-N 0 0 320.455 0.536 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000249112234 287106184 /nfs/dbraw/zinc/10/61/84/287106184.db2.gz CEEMAZSKRXILJD-XQQFMLRXSA-N 0 0 318.439 0.420 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]1C ZINC000249193199 287108094 /nfs/dbraw/zinc/10/80/94/287108094.db2.gz PQQZHAIBZXYFJJ-QJPTWQEYSA-N 0 0 320.455 0.834 10 0 DCAERN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CNC(=O)C1 ZINC000249295444 287108686 /nfs/dbraw/zinc/10/86/86/287108686.db2.gz BDSPSMJQNWZADK-HOTUBEGUSA-N 0 0 308.300 0.722 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249534787 287112980 /nfs/dbraw/zinc/11/29/80/287112980.db2.gz CDFTZQXHTGMHMB-WDEREUQCSA-N 0 0 321.343 0.950 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249579954 287114626 /nfs/dbraw/zinc/11/46/26/287114626.db2.gz QQEAJQFQOMRWAJ-INIZCTEOSA-N 0 0 319.449 0.952 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000249520993 287112698 /nfs/dbraw/zinc/11/26/98/287112698.db2.gz VFIMQYRLWNRPIJ-KGLIPLIRSA-N 0 0 322.405 0.471 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000249700709 287117406 /nfs/dbraw/zinc/11/74/06/287117406.db2.gz XUKIWCSCTKDIPF-JHJVBQTASA-N 0 0 318.439 0.826 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000249832114 287118461 /nfs/dbraw/zinc/11/84/61/287118461.db2.gz USQSVFQYWBBWPU-OCCSQVGLSA-N 0 0 317.455 0.811 10 0 DCAERN CO[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CC[C@@H]1C ZINC000252040280 287120642 /nfs/dbraw/zinc/12/06/42/287120642.db2.gz ZJOPCNOGWUNWHG-QJPTWQEYSA-N 0 0 304.412 0.630 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1nnnn1C ZINC000333820410 287147237 /nfs/dbraw/zinc/14/72/37/287147237.db2.gz IWFUZYVSQZLRBU-JTQLQIEISA-N 0 0 324.410 0.265 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000355996200 287191348 /nfs/dbraw/zinc/19/13/48/287191348.db2.gz XHXDWHQMNCIFCX-QKCSRTOESA-N 0 0 304.346 0.782 10 0 DCAERN CC(C)[C@@H](C(=O)NC[C@@H](CO)C1CC1)N1CCCS1(=O)=O ZINC000358309384 287206625 /nfs/dbraw/zinc/20/66/25/287206625.db2.gz PSHDOMIIJOYRGW-STQMWFEESA-N 0 0 318.439 0.181 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247653566 685172494 /nfs/dbraw/zinc/17/24/94/685172494.db2.gz XIRVPLQJXQLTKJ-LBPRGKRZSA-N 0 0 302.400 0.169 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000408061435 287233131 /nfs/dbraw/zinc/23/31/31/287233131.db2.gz JYWDFOPRYJKUQR-ZYHUDNBSSA-N 0 0 320.411 0.273 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000408061433 287233140 /nfs/dbraw/zinc/23/31/40/287233140.db2.gz JYWDFOPRYJKUQR-PWSUYJOCSA-N 0 0 320.411 0.273 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000129396476 196045319 /nfs/dbraw/zinc/04/53/19/196045319.db2.gz WDTNMNPHQROBHB-VIFPVBQESA-N 0 0 303.388 0.046 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)C(C)C ZINC000129495535 196053141 /nfs/dbraw/zinc/05/31/41/196053141.db2.gz DDNSWEQPNBMICZ-SNVBAGLBSA-N 0 0 317.415 0.434 10 0 DCAERN NC(=O)NC(=O)COc1ccc(I)cc1 ZINC000007034715 415137099 /nfs/dbraw/zinc/13/70/99/415137099.db2.gz NQZAHLWRIVQIMX-UHFFFAOYSA-N 0 0 320.086 0.865 10 0 DCAERN COC[C@H](C)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000025785047 415164300 /nfs/dbraw/zinc/16/43/00/415164300.db2.gz VQJSDRSGWXPMPG-HNNXBMFYSA-N 0 0 305.422 0.955 10 0 DCAERN Cc1cc(=O)n2nc(CN(C)CC(=O)NC(C)(C)C)sc2n1 ZINC000026886215 415169922 /nfs/dbraw/zinc/16/99/22/415169922.db2.gz UDKUYMOEWSLASC-UHFFFAOYSA-N 0 0 323.422 0.806 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000043886430 415219619 /nfs/dbraw/zinc/21/96/19/415219619.db2.gz LCDMGBYFNRTTSW-GFCCVEGCSA-N 0 0 320.397 0.269 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000046486860 415258993 /nfs/dbraw/zinc/25/89/93/415258993.db2.gz RMRHEMMLKSXPEU-LBPRGKRZSA-N 0 0 314.430 0.263 10 0 DCAERN C[C@H]1COCCN1C(=O)CCCN1C(=O)NC2(CCCC2)C1=O ZINC000046256838 415259567 /nfs/dbraw/zinc/25/95/67/415259567.db2.gz FGENZFFEDOZZQA-LBPRGKRZSA-N 0 0 323.393 0.879 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000057018059 415338384 /nfs/dbraw/zinc/33/83/84/415338384.db2.gz QGRKSZCSBULCFR-LLVKDONJSA-N 0 0 312.414 0.553 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000068783055 415395707 /nfs/dbraw/zinc/39/57/07/415395707.db2.gz SPXUODSRKJAQFI-CYBMUJFWSA-N 0 0 320.393 0.154 10 0 DCAERN COc1ccccc1[C@@H](C)NC(=O)CN1CCNC(=O)CC1 ZINC000073350289 415420396 /nfs/dbraw/zinc/42/03/96/415420396.db2.gz MWJHJPIFINLJIZ-GFCCVEGCSA-N 0 0 305.378 0.694 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)N(C)CC(=O)NC(C)(C)C)CC1 ZINC000066695550 415365641 /nfs/dbraw/zinc/36/56/41/415365641.db2.gz PJAVIOHNDFEIED-CYBMUJFWSA-N 0 0 312.458 0.386 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000067104716 415368731 /nfs/dbraw/zinc/36/87/31/415368731.db2.gz MCYJKGNJVWWWIN-UHFFFAOYSA-N 0 0 311.426 0.866 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1csnn1 ZINC000067314999 415375378 /nfs/dbraw/zinc/37/53/78/415375378.db2.gz GXIFUIPPNYQQNP-LLVKDONJSA-N 0 0 304.375 0.967 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)ccc1F ZINC000084188156 415491127 /nfs/dbraw/zinc/49/11/27/415491127.db2.gz YSMKXECVRKJWDV-SNVBAGLBSA-N 0 0 316.354 0.643 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000332863019 415494786 /nfs/dbraw/zinc/49/47/86/415494786.db2.gz GEPGLTJXMVKWAY-VXGBXAGGSA-N 0 0 303.428 0.347 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1=O ZINC000332752899 415461836 /nfs/dbraw/zinc/46/18/36/415461836.db2.gz HEYQAUDDBNOEHF-BFHYXJOUSA-N 0 0 324.425 0.110 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccn(C)c1=O ZINC000079012285 415470759 /nfs/dbraw/zinc/47/07/59/415470759.db2.gz VAAQACAOOQPOEG-MRXNPFEDSA-N 0 0 323.393 0.627 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(CO)c(F)c2)CCS1(=O)=O ZINC000278902955 415509629 /nfs/dbraw/zinc/50/96/29/415509629.db2.gz PVXXLZOBJGBCCF-UHFFFAOYSA-N 0 0 315.366 0.967 10 0 DCAERN O=C([O-])[C@H]1CN(Cc2ccnc(Br)c2)CC[NH2+]1 ZINC000095078087 415550135 /nfs/dbraw/zinc/55/01/35/415550135.db2.gz XWDKKQLUUHCBNG-SECBINFHSA-N 0 0 300.156 0.703 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000333109520 415560474 /nfs/dbraw/zinc/56/04/74/415560474.db2.gz RUSOTQQPPYZIFR-RQJABVFESA-N 0 0 324.425 0.016 10 0 DCAERN COc1cccc(-c2nsc(NC(=O)Cn3cnnn3)n2)c1 ZINC000102911042 415602298 /nfs/dbraw/zinc/60/22/98/415602298.db2.gz MTLRQUHBLIMWQK-UHFFFAOYSA-N 0 0 317.334 0.839 10 0 DCAERN O=C(NCCn1cccn1)c1ccc(-n2cnnn2)cc1Cl ZINC000104860421 415624686 /nfs/dbraw/zinc/62/46/86/415624686.db2.gz BYDRIKBSAFDLOG-UHFFFAOYSA-N 0 0 317.740 0.942 10 0 DCAERN CC(C)c1nnc(CN2CCN(Cc3nccn3C)CC2)n1C ZINC000105930270 415638192 /nfs/dbraw/zinc/63/81/92/415638192.db2.gz WVSFWMGTOQEHJQ-UHFFFAOYSA-N 0 0 317.441 0.990 10 0 DCAERN Cc1nnc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)o1 ZINC000343569633 415643282 /nfs/dbraw/zinc/64/32/82/415643282.db2.gz QYKBNSDUYGYFSD-NSHDSACASA-N 0 0 312.370 0.467 10 0 DCAERN Cc1nnc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)o1 ZINC000343569632 415643499 /nfs/dbraw/zinc/64/34/99/415643499.db2.gz QYKBNSDUYGYFSD-LLVKDONJSA-N 0 0 312.370 0.467 10 0 DCAERN CN1CCN(C)[C@@H](CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333192167 415578043 /nfs/dbraw/zinc/57/80/43/415578043.db2.gz SLZSCTXFXRUQCL-RFGFWPKPSA-N 0 0 301.456 0.340 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194330 415581391 /nfs/dbraw/zinc/58/13/91/415581391.db2.gz SZQRQZBUFGHOBG-RHYQMDGZSA-N 0 0 314.407 0.630 10 0 DCAERN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1C[C@@H](O)C[C@@H]1CO ZINC000333244479 415592087 /nfs/dbraw/zinc/59/20/87/415592087.db2.gz CBFNFRJHMFQLQO-VNHYZAJKSA-N 0 0 307.346 0.422 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCN(C3CC3)C(=O)C2)CCO1 ZINC000333269105 415599530 /nfs/dbraw/zinc/59/95/30/415599530.db2.gz CENKURAEBVLTBX-ZYHUDNBSSA-N 0 0 302.396 0.190 10 0 DCAERN Cc1noc(C)c1CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000107175080 415660403 /nfs/dbraw/zinc/66/04/03/415660403.db2.gz UCOHOPKNFUJUGF-UHFFFAOYSA-N 0 0 308.338 0.281 10 0 DCAERN CCS(=O)(=O)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107145242 415661667 /nfs/dbraw/zinc/66/16/67/415661667.db2.gz ZIWGBSNCCCUQGT-UHFFFAOYSA-N 0 0 309.347 0.901 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000111219425 415691568 /nfs/dbraw/zinc/69/15/68/415691568.db2.gz HNQMFMKHNMIXBI-CYBMUJFWSA-N 0 0 308.382 0.579 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN2CCN(C(=O)C3CC3)C2)C1 ZINC000333540591 415678034 /nfs/dbraw/zinc/67/80/34/415678034.db2.gz NVESATNHAAOXOU-LBPRGKRZSA-N 0 0 315.439 0.170 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2)nn1 ZINC000333611889 415695860 /nfs/dbraw/zinc/69/58/60/415695860.db2.gz YBGDQHXSFKUSHK-HEHGZKQESA-N 0 0 319.409 0.966 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1=O ZINC000113893098 415720197 /nfs/dbraw/zinc/72/01/97/415720197.db2.gz LERBRURVFXMKCN-GFCCVEGCSA-N 0 0 317.349 0.024 10 0 DCAERN O=C(N[C@@H]1CCc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000333711090 415722514 /nfs/dbraw/zinc/72/25/14/415722514.db2.gz MDWRDMZONRRUIM-WCQYABFASA-N 0 0 307.371 0.735 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1c1nc(C)c(S(N)(=O)=O)s1 ZINC000343727042 415698050 /nfs/dbraw/zinc/69/80/50/415698050.db2.gz XHGISYLVZHOAOC-DTWKUNHWSA-N 0 0 321.424 0.339 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CC23CCOCC3)nn1 ZINC000333633978 415700348 /nfs/dbraw/zinc/70/03/48/415700348.db2.gz WEDQBYNIUXVMCF-JHJVBQTASA-N 0 0 322.365 0.163 10 0 DCAERN CC(C)[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)C(N)=O ZINC000112177025 415706104 /nfs/dbraw/zinc/70/61/04/415706104.db2.gz GWBYAJOMJDVIQC-SNVBAGLBSA-N 0 0 307.379 0.783 10 0 DCAERN Cn1nccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000112281339 415707958 /nfs/dbraw/zinc/70/79/58/415707958.db2.gz ZWVRYDKIYNTYTP-UHFFFAOYSA-N 0 0 300.366 0.819 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654854 415713396 /nfs/dbraw/zinc/71/33/96/415713396.db2.gz SUJFLIKKQQOPNQ-GFCCVEGCSA-N 0 0 307.398 0.748 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCNC1=O ZINC000333767861 415736100 /nfs/dbraw/zinc/73/61/00/415736100.db2.gz XDMVZQDVYNNLCY-WDEREUQCSA-N 0 0 320.397 0.814 10 0 DCAERN COCCOCCC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373630537 292575408 /nfs/dbraw/zinc/57/54/08/292575408.db2.gz TZEAIQXATDZJFH-OAHLLOKOSA-N 0 0 301.383 0.836 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCC(=O)N(C)C)no2)c1 ZINC000120219440 415760307 /nfs/dbraw/zinc/76/03/07/415760307.db2.gz WDTPMACKBBYHOI-UHFFFAOYSA-N 0 0 305.338 0.436 10 0 DCAERN C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000333936754 415768386 /nfs/dbraw/zinc/76/83/86/415768386.db2.gz KUWJDIZQOWTUSM-HUUCEWRRSA-N 0 0 303.410 0.832 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120473910 415771449 /nfs/dbraw/zinc/77/14/49/415771449.db2.gz RUCRLOVFRZPHAH-LBPRGKRZSA-N 0 0 303.362 0.925 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2CC(N)=O)C1 ZINC000119855308 415751219 /nfs/dbraw/zinc/75/12/19/415751219.db2.gz ZWRSZYRMZUGFPI-STQMWFEESA-N 0 0 309.410 0.892 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000123235063 415837981 /nfs/dbraw/zinc/83/79/81/415837981.db2.gz HAEOZTDRBBKJBZ-UONOGXRCSA-N 0 0 320.455 0.274 10 0 DCAERN CCc1c(C(=O)N2CCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000124168195 415849884 /nfs/dbraw/zinc/84/98/84/415849884.db2.gz NQNQVWJVFLPSNJ-UHFFFAOYSA-N 0 0 316.361 0.431 10 0 DCAERN CN(CCN1C(=O)CCC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000121346417 415800272 /nfs/dbraw/zinc/80/02/72/415800272.db2.gz JZRQRGFMACQZRI-AWEZNQCLSA-N 0 0 315.373 0.873 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC000122137828 415827848 /nfs/dbraw/zinc/82/78/48/415827848.db2.gz XEACBHQPELQCAK-ZWNOBZJWSA-N 0 0 302.330 0.851 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C1 ZINC000126177516 415875637 /nfs/dbraw/zinc/87/56/37/415875637.db2.gz IOBICEMZRUYMFJ-KBPBESRZSA-N 0 0 324.425 0.696 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000127290356 415886196 /nfs/dbraw/zinc/88/61/96/415886196.db2.gz XMMBLMCDKPWLSH-LBPRGKRZSA-N 0 0 309.410 0.761 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H]2C)n(C)n1 ZINC000127798463 415890726 /nfs/dbraw/zinc/89/07/26/415890726.db2.gz XQGSUQYXNKBZHF-WDEREUQCSA-N 0 0 308.382 0.804 10 0 DCAERN CC(C)OC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000130031638 415914109 /nfs/dbraw/zinc/91/41/09/415914109.db2.gz GTPKNWYHQSJHKY-OLZOCXBDSA-N 0 0 320.455 0.930 10 0 DCAERN COCc1nc(C)c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)s1 ZINC000130324914 415916988 /nfs/dbraw/zinc/91/69/88/415916988.db2.gz SRHOKODBPMTJFS-QWRGUYRKSA-N 0 0 311.407 0.753 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000125302864 415864063 /nfs/dbraw/zinc/86/40/63/415864063.db2.gz XAHQYONSEASLOL-LBPRGKRZSA-N 0 0 318.439 0.543 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000134395387 415955214 /nfs/dbraw/zinc/95/52/14/415955214.db2.gz CWIKPOFYOZZPLH-ZMLRMANQSA-N 0 0 307.354 0.002 10 0 DCAERN CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@H](C)c1cccnc1 ZINC000153533516 415981810 /nfs/dbraw/zinc/98/18/10/415981810.db2.gz YFYPSRZBLFYPEX-LLVKDONJSA-N 0 0 306.366 0.196 10 0 DCAERN O=C(CCC(=O)c1ccc(F)c(F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000153532031 415983113 /nfs/dbraw/zinc/98/31/13/415983113.db2.gz LOCXKPTXZPVWRD-LLVKDONJSA-N 0 0 324.283 0.849 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@H]1C ZINC000153574760 415983752 /nfs/dbraw/zinc/98/37/52/415983752.db2.gz TUTKTADZWIHYFD-MNOVXSKESA-N 0 0 320.397 0.766 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)Cn1ccnc1 ZINC000153577995 415984338 /nfs/dbraw/zinc/98/43/38/415984338.db2.gz QKYMVOWLUYSRFK-RYUDHWBXSA-N 0 0 310.423 0.947 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)c1cnn2ccc(C)nc12 ZINC000153587590 415984662 /nfs/dbraw/zinc/98/46/62/415984662.db2.gz YGRFNQHUDMDLSU-UHFFFAOYSA-N 0 0 310.379 0.544 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(Cc1ccccc1F)C1CC1 ZINC000153782138 415988292 /nfs/dbraw/zinc/98/82/92/415988292.db2.gz LVKYPHXWYBMNDK-LBPRGKRZSA-N 0 0 305.309 0.915 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H]2CC[C@H]2C)CC1 ZINC000344787005 415988275 /nfs/dbraw/zinc/98/82/75/415988275.db2.gz HQDNPXCDKJTCDD-YPMHNXCESA-N 0 0 310.398 0.165 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CN(C)CCO2)c(C(F)(F)F)n1 ZINC000153942370 415990259 /nfs/dbraw/zinc/99/02/59/415990259.db2.gz VNKRHWSMEMCJCX-SECBINFHSA-N 0 0 306.288 0.386 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000344809000 415991805 /nfs/dbraw/zinc/99/18/05/415991805.db2.gz VEFNDBNIGNQRJW-UHFFFAOYSA-N 0 0 315.333 0.626 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000154997939 415992399 /nfs/dbraw/zinc/99/23/99/415992399.db2.gz RXUKDAXSYYFVDZ-LLVKDONJSA-N 0 0 306.370 0.675 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H]2CCCn3nc(COC)nc32)CC1=O ZINC000155118034 415992530 /nfs/dbraw/zinc/99/25/30/415992530.db2.gz RYXVOPBXKOCEOQ-GHMZBOCLSA-N 0 0 321.381 0.244 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000155116411 415993588 /nfs/dbraw/zinc/99/35/88/415993588.db2.gz LGHSGZKTRPJZNN-NSHDSACASA-N 0 0 317.349 0.388 10 0 DCAERN O=C(CNC(=O)[C@@H]1CCCN1c1nccs1)NCC1CC1 ZINC000155188156 415995245 /nfs/dbraw/zinc/99/52/45/415995245.db2.gz KVVZCTZUTQHPNH-NSHDSACASA-N 0 0 308.407 0.754 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)C[C@H](C)O1 ZINC000131782340 415931073 /nfs/dbraw/zinc/93/10/73/415931073.db2.gz FSALZXAJYVHSTP-FEPKRQSRSA-N 0 0 320.455 0.823 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000132822779 415934917 /nfs/dbraw/zinc/93/49/17/415934917.db2.gz ZEEIWZFMXRXITB-RYUDHWBXSA-N 0 0 322.413 0.587 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](C)Cn1cncn1 ZINC000299025432 416045122 /nfs/dbraw/zinc/04/51/22/416045122.db2.gz COBSWWJYOYIHTN-AZZDOICSSA-N 0 0 313.361 0.960 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000173038794 416052100 /nfs/dbraw/zinc/05/21/00/416052100.db2.gz CDHLHNLLMHWLSW-ZDUSSCGKSA-N 0 0 315.373 0.695 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)NC1CN(C(C)=O)C1)C2 ZINC000173039659 416053116 /nfs/dbraw/zinc/05/31/16/416053116.db2.gz JEWRCSCHXQEHEX-LBPRGKRZSA-N 0 0 304.346 0.593 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000173210102 416053518 /nfs/dbraw/zinc/05/35/18/416053518.db2.gz MEFOHDFSNRLBIR-CHWSQXEVSA-N 0 0 308.444 0.946 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)CC(=O)N(C)C)ncn1 ZINC000173418341 416058920 /nfs/dbraw/zinc/05/89/20/416058920.db2.gz QVVTYNRJPSKEIY-NSHDSACASA-N 0 0 320.397 0.082 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000173503040 416059808 /nfs/dbraw/zinc/05/98/08/416059808.db2.gz VTAXAKUDTBYXBI-GXFFZTMASA-N 0 0 306.410 0.953 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173552591 416060938 /nfs/dbraw/zinc/06/09/38/416060938.db2.gz HGCBEDFVZUQXKX-LLVKDONJSA-N 0 0 304.354 0.677 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000173695071 416063441 /nfs/dbraw/zinc/06/34/41/416063441.db2.gz XCTDNCPDHGZAHY-GFCCVEGCSA-N 0 0 323.360 0.912 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)[nH]1 ZINC000173755804 416064119 /nfs/dbraw/zinc/06/41/19/416064119.db2.gz GTVOYSITKDGDOD-ZDUSSCGKSA-N 0 0 316.365 0.788 10 0 DCAERN Cn1cc([C@@H]2C[N@H+](CCCn3ccnc3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299759350 416064296 /nfs/dbraw/zinc/06/42/96/416064296.db2.gz QZJYZRFNYAPNKH-QWHCGFSZSA-N 0 0 318.381 0.592 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCOC3(CCCCC3)C2)C1 ZINC000173845685 416066267 /nfs/dbraw/zinc/06/62/67/416066267.db2.gz WZWWLDBCGNZYAL-AWEZNQCLSA-N 0 0 323.437 0.745 10 0 DCAERN Cc1cnc(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000173887735 416068039 /nfs/dbraw/zinc/06/80/39/416068039.db2.gz VIPBDCFHIIZDTC-VIFPVBQESA-N 0 0 318.424 0.285 10 0 DCAERN CCN(CC(C)(C)O)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000300174432 416073067 /nfs/dbraw/zinc/07/30/67/416073067.db2.gz TURPIYWXKUFKLK-MNOVXSKESA-N 0 0 307.412 0.751 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC000357390999 416073201 /nfs/dbraw/zinc/07/32/01/416073201.db2.gz KMBHPBCKKYESPE-MNOVXSKESA-N 0 0 324.381 0.142 10 0 DCAERN CC(=O)N1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C(C)(C)C1 ZINC000338306445 416075414 /nfs/dbraw/zinc/07/54/14/416075414.db2.gz UYJLIPKKWFZCRB-ZDUSSCGKSA-N 0 0 317.455 0.211 10 0 DCAERN NS(=O)(=O)c1cnc(NCCCN2CCCC2=O)s1 ZINC000301140890 416076431 /nfs/dbraw/zinc/07/64/31/416076431.db2.gz HZIKFHDIFLAIGN-UHFFFAOYSA-N 0 0 304.397 0.215 10 0 DCAERN CN1C[C@H](C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1=O ZINC000298315332 416002408 /nfs/dbraw/zinc/00/24/08/416002408.db2.gz TZXGDRXMNVFALP-ZYHUDNBSSA-N 0 0 322.386 0.500 10 0 DCAERN COc1n[nH]c(NC(=O)Cn2cnc3sccc3c2=O)n1 ZINC000158900577 416004360 /nfs/dbraw/zinc/00/43/60/416004360.db2.gz NCPZVUZDCNXWON-UHFFFAOYSA-N 0 0 306.307 0.223 10 0 DCAERN CCc1nnc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)[nH]1 ZINC000158979436 416005813 /nfs/dbraw/zinc/00/58/13/416005813.db2.gz WMXLBRWZKRJCKY-NSHDSACASA-N 0 0 313.427 0.367 10 0 DCAERN CCc1cc(N2CCN(c3ccc(N)nc3)CC2)n2ncnc2n1 ZINC000301222533 416078446 /nfs/dbraw/zinc/07/84/46/416078446.db2.gz BHCYFZLGSQABIA-UHFFFAOYSA-N 0 0 324.392 0.991 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)no1 ZINC000163869021 416016879 /nfs/dbraw/zinc/01/68/79/416016879.db2.gz CZKZQCTWSRSMQQ-VXGBXAGGSA-N 0 0 321.381 0.573 10 0 DCAERN Cc1nc(N)nc(C)c1C(=O)NC[C@H](C)N1CCCCC1=O ZINC000357003884 416018635 /nfs/dbraw/zinc/01/86/35/416018635.db2.gz RMODOUSKMWLAPV-VIFPVBQESA-N 0 0 305.382 0.806 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)ccc1F ZINC000166720597 416021828 /nfs/dbraw/zinc/02/18/28/416021828.db2.gz ASZHPHHBPANCJA-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000166894695 416023171 /nfs/dbraw/zinc/02/31/71/416023171.db2.gz IZPNLOUFTRCIAJ-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN O=C(C1=CCCCO1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000174497563 416079043 /nfs/dbraw/zinc/07/90/43/416079043.db2.gz DLNXUSIIRAQNOA-CYBMUJFWSA-N 0 0 308.378 0.778 10 0 DCAERN O=C1CCN(S(=O)(=O)c2ccccc2OC(F)F)CCN1 ZINC000170657617 416028977 /nfs/dbraw/zinc/02/89/77/416028977.db2.gz LXOVWTRJTCTTMM-UHFFFAOYSA-N 0 0 320.317 0.799 10 0 DCAERN CNC(=O)c1cccnc1N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000301335802 416082210 /nfs/dbraw/zinc/08/22/10/416082210.db2.gz CURNCCUBRRAAHF-JTQLQIEISA-N 0 0 312.395 0.277 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000174672048 416084301 /nfs/dbraw/zinc/08/43/01/416084301.db2.gz WHZMOQCBDDGRSI-NSHDSACASA-N 0 0 313.427 0.120 10 0 DCAERN COCc1nsc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000301545446 416086887 /nfs/dbraw/zinc/08/68/87/416086887.db2.gz WQYDTNWYJZUKGA-UHFFFAOYSA-N 0 0 308.411 0.740 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174812578 416087493 /nfs/dbraw/zinc/08/74/93/416087493.db2.gz JIDRZIVHNRTVCN-ZDUSSCGKSA-N 0 0 321.352 0.868 10 0 DCAERN NC(=O)Cn1cc(-c2nc(COc3ccccc3)no2)nn1 ZINC000174818066 416088129 /nfs/dbraw/zinc/08/81/29/416088129.db2.gz OOJPIKPFBHHZQZ-UHFFFAOYSA-N 0 0 300.278 0.392 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCCC[C@H]1CCO ZINC000301599041 416088559 /nfs/dbraw/zinc/08/85/59/416088559.db2.gz HQWYFDJPDJEMRK-NSHDSACASA-N 0 0 319.365 0.741 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)CCOC(C)C)CC2 ZINC000175116624 416096869 /nfs/dbraw/zinc/09/68/69/416096869.db2.gz MJEIDGLRSKKOEA-LLVKDONJSA-N 0 0 316.427 0.500 10 0 DCAERN Cn1cnnc1COCC(=O)NC[C@@H](CO)C1CCCCC1 ZINC000357592037 416102159 /nfs/dbraw/zinc/10/21/59/416102159.db2.gz BDYJMFWKBRJAIY-ZDUSSCGKSA-N 0 0 310.398 0.637 10 0 DCAERN CC[C@@H](NC(=O)[C@@H](C)c1cccnc1)C(=O)N1CCOCC1 ZINC000175340860 416103819 /nfs/dbraw/zinc/10/38/19/416103819.db2.gz FTOMHGJKAINFJY-GXTWGEPZSA-N 0 0 305.378 0.939 10 0 DCAERN CC[C@H](NC(=O)[C@H](C)c1cccnc1)C(=O)N1CCOCC1 ZINC000175340877 416104055 /nfs/dbraw/zinc/10/40/55/416104055.db2.gz FTOMHGJKAINFJY-OCCSQVGLSA-N 0 0 305.378 0.939 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175543306 416108918 /nfs/dbraw/zinc/10/89/18/416108918.db2.gz SIEPSWYOAGGHFM-GFCCVEGCSA-N 0 0 311.345 0.423 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000175946460 416117233 /nfs/dbraw/zinc/11/72/33/416117233.db2.gz BWXGWRZMYGKDDZ-ZDUSSCGKSA-N 0 0 310.398 0.785 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000176116128 416120197 /nfs/dbraw/zinc/12/01/97/416120197.db2.gz TZKGEFYMDDOJKR-UHFFFAOYSA-N 0 0 306.413 0.882 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(Cc2cnc(Cl)s2)C[C@H]1O ZINC000328603666 416122842 /nfs/dbraw/zinc/12/28/42/416122842.db2.gz GUUFHICZXVTQGJ-RKDXNWHRSA-N 0 0 305.787 0.358 10 0 DCAERN CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176313171 416123343 /nfs/dbraw/zinc/12/33/43/416123343.db2.gz QEIZEIBLVQMLIW-QWHCGFSZSA-N 0 0 317.455 0.259 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1c1nccc(N[C@@H]2CCCOC2)n1 ZINC000328630590 416124585 /nfs/dbraw/zinc/12/45/85/416124585.db2.gz JOUQUFTWSYDVJB-OLZOCXBDSA-N 0 0 319.409 1.125 10 0 DCAERN COC[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000176400832 416126092 /nfs/dbraw/zinc/12/60/92/416126092.db2.gz NOGSOCOYNOMJBN-QWHCGFSZSA-N 0 0 309.414 0.971 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000176431850 416126244 /nfs/dbraw/zinc/12/62/44/416126244.db2.gz LCYHVLFEEUPBEX-ZDUSSCGKSA-N 0 0 309.414 0.669 10 0 DCAERN COCCCOC1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)C1 ZINC000176507835 416128084 /nfs/dbraw/zinc/12/80/84/416128084.db2.gz AMSRHZFPGMRPBX-UHFFFAOYSA-N 0 0 323.393 0.583 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000176898162 416136204 /nfs/dbraw/zinc/13/62/04/416136204.db2.gz NQDLUPRZCRPWPQ-HZMBPMFUSA-N 0 0 306.410 0.953 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 ZINC000176876521 416136555 /nfs/dbraw/zinc/13/65/55/416136555.db2.gz JTWSBWHFUUVNLR-GXTWGEPZSA-N 0 0 322.409 0.848 10 0 DCAERN Cc1cc(CN2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)no1 ZINC000176954548 416138712 /nfs/dbraw/zinc/13/87/12/416138712.db2.gz QLZPCWMUCLGMBL-GFCCVEGCSA-N 0 0 315.439 0.781 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000328905479 416139056 /nfs/dbraw/zinc/13/90/56/416139056.db2.gz KBFHKGVRTUZBDK-QWHCGFSZSA-N 0 0 307.398 0.072 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C)C1 ZINC000357939635 416157061 /nfs/dbraw/zinc/15/70/61/416157061.db2.gz QZLDNAYYYHGOKD-DGCLKSJQSA-N 0 0 309.410 0.713 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCO[C@@H]2CCOC2)[C@@H](C)C1 ZINC000357847086 416141263 /nfs/dbraw/zinc/14/12/63/416141263.db2.gz AFIOIMLOJUNZGO-GXTWGEPZSA-N 0 0 313.398 0.444 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)c1c[nH]c(=O)cc1C ZINC000177611238 416147435 /nfs/dbraw/zinc/14/74/35/416147435.db2.gz VUHRMUOGFYBJBJ-UHFFFAOYSA-N 0 0 315.395 0.085 10 0 DCAERN CNC(=O)Cc1nc(CN2CCN(CCOC)CC2)cs1 ZINC000177549419 416147904 /nfs/dbraw/zinc/14/79/04/416147904.db2.gz NSPWZNWJEGPORE-UHFFFAOYSA-N 0 0 312.439 0.196 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@H]21 ZINC000329070714 416148427 /nfs/dbraw/zinc/14/84/27/416148427.db2.gz YPNMNZGUCXHMGY-NEPJUHHUSA-N 0 0 322.413 0.970 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000177702651 416149384 /nfs/dbraw/zinc/14/93/84/416149384.db2.gz BIAUCKDVIXTXLM-UHFFFAOYSA-N 0 0 300.318 0.837 10 0 DCAERN CCC[C@@H](NC(=O)CNC(=O)c1ccccc1C)c1nnn[n-]1 ZINC000177652817 416149641 /nfs/dbraw/zinc/14/96/41/416149641.db2.gz MFDGHLBOLWZVTD-GFCCVEGCSA-N 0 0 316.365 0.896 10 0 DCAERN O=S(=O)(c1c[nH]cn1)N1CCC2(C1)Oc1ccccc1O2 ZINC000329355309 416166063 /nfs/dbraw/zinc/16/60/63/416166063.db2.gz YUPCLKJILFZTJX-UHFFFAOYSA-N 0 0 307.331 0.972 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329383013 416166312 /nfs/dbraw/zinc/16/63/12/416166312.db2.gz OSUXSQKXNPGVIG-JHJVBQTASA-N 0 0 314.451 0.752 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)NCCn2ccnc2C)[nH]n1 ZINC000357985221 416167426 /nfs/dbraw/zinc/16/74/26/416167426.db2.gz WWCCTAAFJWZVOA-SNVBAGLBSA-N 0 0 318.381 0.087 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178655005 416167648 /nfs/dbraw/zinc/16/76/48/416167648.db2.gz PNKPRMTVHGXLHD-TZMCWYRMSA-N 0 0 301.350 0.571 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178723306 416170026 /nfs/dbraw/zinc/17/00/26/416170026.db2.gz ZECCVDDAWORUSP-MCIONIFRSA-N 0 0 306.387 0.682 10 0 DCAERN C[C@@H](CNC(=O)C(=O)N1CCC12CCC2)CN1CCOCC1 ZINC000357998671 416169988 /nfs/dbraw/zinc/16/99/88/416169988.db2.gz XTIHQPJJIRGQAK-ZDUSSCGKSA-N 0 0 309.410 0.226 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCNC(=O)c1ccsc1)C(C)C ZINC000178715543 416170443 /nfs/dbraw/zinc/17/04/43/416170443.db2.gz QOJOJBLMYQAXTE-LBPRGKRZSA-N 0 0 311.407 0.755 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCOC3)C2=O)n(C)n1 ZINC000178775238 416173008 /nfs/dbraw/zinc/17/30/08/416173008.db2.gz QCMVYKVUACPFTH-NWDGAFQWSA-N 0 0 321.381 0.312 10 0 DCAERN COC(=O)c1cn([C@@H]2CCCN([C@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033299 416173728 /nfs/dbraw/zinc/17/37/28/416173728.db2.gz DJFBIMSOWPVLMJ-YPMHNXCESA-N 0 0 322.365 0.653 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)C(C)C ZINC000178809940 416173866 /nfs/dbraw/zinc/17/38/66/416173866.db2.gz TZHRLTZCNRJIST-OCCSQVGLSA-N 0 0 319.409 0.730 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2ccccn2)C[C@@H](C)O1 ZINC000178913694 416176296 /nfs/dbraw/zinc/17/62/96/416176296.db2.gz WPQTVPOZWUOXMQ-CHWSQXEVSA-N 0 0 313.423 0.958 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cc(F)ccc1F ZINC000178964984 416179338 /nfs/dbraw/zinc/17/93/38/416179338.db2.gz TWXKOBYROAHOFL-LLVKDONJSA-N 0 0 324.331 0.019 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000179165376 416182653 /nfs/dbraw/zinc/18/26/53/416182653.db2.gz HRTSOZFEEIQHLL-LBPRGKRZSA-N 0 0 320.393 0.860 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179357306 416186706 /nfs/dbraw/zinc/18/67/06/416186706.db2.gz LTACBQJFYDAGPN-NSHDSACASA-N 0 0 314.411 0.929 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)CCS1(=O)=O ZINC000330280293 416198698 /nfs/dbraw/zinc/19/86/98/416198698.db2.gz SFMAHJXLXMFOOH-QWRGUYRKSA-N 0 0 311.425 0.004 10 0 DCAERN CNC(=O)[C@@H]1CN(c2cc(C)nc(-c3ccncc3)n2)CCO1 ZINC000181151708 416204561 /nfs/dbraw/zinc/20/45/61/416204561.db2.gz NSXVWSIDCUQZBD-ZDUSSCGKSA-N 0 0 313.361 0.798 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000181422908 416208353 /nfs/dbraw/zinc/20/83/53/416208353.db2.gz LMPYGHZOLGPQAT-LBPRGKRZSA-N 0 0 323.736 0.789 10 0 DCAERN CC[C@H]1CN(C(=O)NCCc2cn[nH]c2)C[C@@H](C)S1(=O)=O ZINC000358193323 416209758 /nfs/dbraw/zinc/20/97/58/416209758.db2.gz JDLUXALNMCNCOS-PWSUYJOCSA-N 0 0 314.411 0.559 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)CC2 ZINC000181770213 416212379 /nfs/dbraw/zinc/21/23/79/416212379.db2.gz LVESWOGKVGULIU-IJLUTSLNSA-N 0 0 307.398 0.568 10 0 DCAERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000182170378 416216152 /nfs/dbraw/zinc/21/61/52/416216152.db2.gz KMYARBRENVYJGP-ZMLRMANQSA-N 0 0 302.334 0.589 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000330643632 416221282 /nfs/dbraw/zinc/22/12/82/416221282.db2.gz RURZPYVSVWEAJW-QWHCGFSZSA-N 0 0 312.366 0.897 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1cccnc1N1CCOCC1 ZINC000358300128 416221640 /nfs/dbraw/zinc/22/16/40/416221640.db2.gz HJCUGALBZOHMAG-ZDUSSCGKSA-N 0 0 305.378 0.667 10 0 DCAERN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H](CO)C1CC1 ZINC000358293368 416221674 /nfs/dbraw/zinc/22/16/74/416221674.db2.gz AINUUCMVYAYTQN-MELADBBJSA-N 0 0 322.405 0.686 10 0 DCAERN O=C(CCN1C(=O)COc2ccccc21)NC[C@@H](CO)C1CC1 ZINC000358332220 416223335 /nfs/dbraw/zinc/22/33/35/416223335.db2.gz HEYLBLWDQRRFNA-ZDUSSCGKSA-N 0 0 318.373 0.937 10 0 DCAERN C[C@H](CO)N(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182553162 416225929 /nfs/dbraw/zinc/22/59/29/416225929.db2.gz XYWBRHMIXJNHEC-YPMHNXCESA-N 0 0 306.366 0.599 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182669165 416228054 /nfs/dbraw/zinc/22/80/54/416228054.db2.gz CYLFXAYBXLUPAY-LLVKDONJSA-N 0 0 300.384 0.691 10 0 DCAERN CCS(=O)(=O)NCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000182698873 416228993 /nfs/dbraw/zinc/22/89/93/416228993.db2.gz HHDRZKCCQAKIMP-NSHDSACASA-N 0 0 301.416 0.661 10 0 DCAERN C[C@@H](C(=O)NC[C@H](CO)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000358364388 416230195 /nfs/dbraw/zinc/23/01/95/416230195.db2.gz YSYUKKQOMHNACA-CMPLNLGQSA-N 0 0 323.393 0.374 10 0 DCAERN CCOC(=O)CCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178610513 416165995 /nfs/dbraw/zinc/16/59/95/416165995.db2.gz DXBAXEIDLMLTPG-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN CC(CO)(CO)NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000183503015 416242155 /nfs/dbraw/zinc/24/21/55/416242155.db2.gz PCDYUFKEKFGDPR-UHFFFAOYSA-N 0 0 307.268 0.987 10 0 DCAERN COC(=O)c1coc(C(=O)NCCN2CCOCC2(C)C)c1 ZINC000183527393 416243479 /nfs/dbraw/zinc/24/34/79/416243479.db2.gz JINWROLOJFXORO-UHFFFAOYSA-N 0 0 310.350 0.907 10 0 DCAERN COC(=O)c1coc(C(=O)NC[C@H](C)CN2CCOCC2)c1 ZINC000183691871 416248340 /nfs/dbraw/zinc/24/83/40/416248340.db2.gz FHURZWPPRFSILP-NSHDSACASA-N 0 0 310.350 0.764 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1nc2ccccn2n1 ZINC000184432404 416252704 /nfs/dbraw/zinc/25/27/04/416252704.db2.gz ZOBQWYMXCZQLNG-ZJUUUORDSA-N 0 0 302.338 0.847 10 0 DCAERN Cc1cc(=O)c(CO)nn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358563262 416252947 /nfs/dbraw/zinc/25/29/47/416252947.db2.gz QKFHYYJHSGQYGB-UHFFFAOYSA-N 0 0 317.301 0.411 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)[C@@H](C)OC)CC2 ZINC000358816919 416278220 /nfs/dbraw/zinc/27/82/20/416278220.db2.gz YCEDVFBSRZAMED-GMTAPVOTSA-N 0 0 311.386 0.462 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NCc3cccnc3)CC2)n[nH]1 ZINC000187222311 416260609 /nfs/dbraw/zinc/26/06/09/416260609.db2.gz KMAMDUWNFHOCGK-UHFFFAOYSA-N 0 0 314.393 0.552 10 0 DCAERN Cc1cc(N2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000187202169 416261560 /nfs/dbraw/zinc/26/15/60/416261560.db2.gz MTDDVLCSTVKZGC-LLVKDONJSA-N 0 0 300.428 0.521 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)s1 ZINC000187936876 416262560 /nfs/dbraw/zinc/26/25/60/416262560.db2.gz KNTXNGFQUROVFS-KOLCDFICSA-N 0 0 312.391 0.606 10 0 DCAERN OCCOc1cncc(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000189416862 416266850 /nfs/dbraw/zinc/26/68/50/416266850.db2.gz QKWWLWBRMKIVNI-UHFFFAOYSA-N 0 0 322.409 0.396 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000331129579 416270255 /nfs/dbraw/zinc/27/02/55/416270255.db2.gz RTBKQRHUAAFGKW-ZETCQYMHSA-N 0 0 305.260 0.451 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000189742472 416270699 /nfs/dbraw/zinc/27/06/99/416270699.db2.gz JWTGALVQHFVDBW-MRVPVSSYSA-N 0 0 308.338 0.173 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C)N1C ZINC000358709925 416271965 /nfs/dbraw/zinc/27/19/65/416271965.db2.gz AIEFAWABMPBLFH-IOASZLSFSA-N 0 0 307.394 0.150 10 0 DCAERN CC(=O)NC1CN(C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000189958293 416274657 /nfs/dbraw/zinc/27/46/57/416274657.db2.gz AMHKWYSCGJTSKG-UHFFFAOYSA-N 0 0 322.331 0.543 10 0 DCAERN O=C(Nc1nc2c(s1)COCC2)N[C@H]1CCc2ncnn2C1 ZINC000190188410 416276428 /nfs/dbraw/zinc/27/64/28/416276428.db2.gz FEZRFKBQKCSSFQ-QMMMGPOBSA-N 0 0 320.378 0.944 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CCC(=O)N1 ZINC000192206741 416301460 /nfs/dbraw/zinc/30/14/60/416301460.db2.gz GDGNQHSTAZLDQW-QWHCGFSZSA-N 0 0 319.336 0.321 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1C ZINC000192642596 416309368 /nfs/dbraw/zinc/30/93/68/416309368.db2.gz VCEIZENYWQJFIH-LSDHHAIUSA-N 0 0 320.389 0.235 10 0 DCAERN O=C(Nc1ccc2cc[nH]c2c1)C(=O)N[C@H]1CCCCNC1=O ZINC000192739866 416309496 /nfs/dbraw/zinc/30/94/96/416309496.db2.gz BECKIKWRRAQBJG-LBPRGKRZSA-N 0 0 314.345 0.891 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C)n2CC(C)C)C1 ZINC000359166926 416309747 /nfs/dbraw/zinc/30/97/47/416309747.db2.gz VIOBQFOEBFOEHR-GFCCVEGCSA-N 0 0 315.443 0.761 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000192698345 416309803 /nfs/dbraw/zinc/30/98/03/416309803.db2.gz SRNJVIHUVVRUOD-NSHDSACASA-N 0 0 324.406 0.826 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000192787049 416311350 /nfs/dbraw/zinc/31/13/50/416311350.db2.gz HZTYJEHAIDEUKR-FZMZJTMJSA-N 0 0 306.362 0.911 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000193506785 416317256 /nfs/dbraw/zinc/31/72/56/416317256.db2.gz YPULECUJDAHMNW-UHFFFAOYSA-N 0 0 322.390 0.307 10 0 DCAERN Cc1ccc(Cc2nnn(C[C@H](O)CN3CCOCC3)n2)cc1 ZINC000193426542 416317762 /nfs/dbraw/zinc/31/77/62/416317762.db2.gz WHODUENOWBKGAH-OAHLLOKOSA-N 0 0 317.393 0.265 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193925357 416320544 /nfs/dbraw/zinc/32/05/44/416320544.db2.gz VFXJOMXHVRVIHC-BDAKNGLRSA-N 0 0 308.313 0.272 10 0 DCAERN CC(C)CC[C@](C)(O)CNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193951192 416321100 /nfs/dbraw/zinc/32/11/00/416321100.db2.gz ZJARIEDJTXXCSQ-AAEUAGOBSA-N 0 0 308.444 0.570 10 0 DCAERN COC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 ZINC000190426436 416279219 /nfs/dbraw/zinc/27/92/19/416279219.db2.gz ZCZHABDWGRKEPT-QWRGUYRKSA-N 0 0 317.345 0.799 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000190683600 416281675 /nfs/dbraw/zinc/28/16/75/416281675.db2.gz PZYNVAMNUGBISR-UHFFFAOYSA-N 0 0 324.406 0.800 10 0 DCAERN CCN1CN(CC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191570352 416287679 /nfs/dbraw/zinc/28/76/79/416287679.db2.gz RFHAUTNIIOLSNF-UHFFFAOYSA-N 0 0 304.350 0.134 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000191971439 416294079 /nfs/dbraw/zinc/29/40/79/416294079.db2.gz LTKHRBMWKUTFMA-SNVBAGLBSA-N 0 0 321.381 0.435 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cnns1 ZINC000192029021 416297118 /nfs/dbraw/zinc/29/71/18/416297118.db2.gz HCHNAAXFWAJGDX-LBPRGKRZSA-N 0 0 300.384 0.780 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCCN1CCCC[C@H]1C ZINC000247309546 416332784 /nfs/dbraw/zinc/33/27/84/416332784.db2.gz NYQXHKXCAUSVTB-VXGBXAGGSA-N 0 0 305.444 0.593 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)NCCc1nc(C)no1)CC2 ZINC000265123319 416340000 /nfs/dbraw/zinc/34/00/00/416340000.db2.gz WAIQVBYXYZJZOG-LLVKDONJSA-N 0 0 322.365 0.905 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)Cn1ccc(C)cc1=O ZINC000194398596 416323019 /nfs/dbraw/zinc/32/30/19/416323019.db2.gz NAEIBBALLKRVDR-UHFFFAOYSA-N 0 0 302.378 0.866 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000194659239 416324215 /nfs/dbraw/zinc/32/42/15/416324215.db2.gz JHVWNDAPTPIOIR-KOLCDFICSA-N 0 0 321.343 0.902 10 0 DCAERN Cc1cc(=O)n2nc(CN3CCN(C4CC4)CC3)sc2n1 ZINC000195220337 416325304 /nfs/dbraw/zinc/32/53/04/416325304.db2.gz XLEUQQTZHQZSFB-UHFFFAOYSA-N 0 0 305.407 0.739 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)NCC[C@@H](C)O ZINC000228672528 416327884 /nfs/dbraw/zinc/32/78/84/416327884.db2.gz LKHZNVLMJRVKCM-MRVPVSSYSA-N 0 0 305.327 0.662 10 0 DCAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237927048 416329132 /nfs/dbraw/zinc/32/91/32/416329132.db2.gz CXYVWNAKKUGXPF-CQSZACIVSA-N 0 0 324.425 0.161 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCN3CCOC[C@H]3C2)cnn1C ZINC000360313655 416385302 /nfs/dbraw/zinc/38/53/02/416385302.db2.gz LQSGWTHZKKTEGR-WCQYABFASA-N 0 0 307.398 0.516 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)CN1CC(=O)N(C)C1 ZINC000360504720 416394047 /nfs/dbraw/zinc/39/40/47/416394047.db2.gz QHGUDESDKXQTKV-UHFFFAOYSA-N 0 0 311.769 0.696 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC000360618446 416400016 /nfs/dbraw/zinc/40/00/16/416400016.db2.gz XXHLEGIPSZYFBR-SECBINFHSA-N 0 0 320.378 0.091 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360698596 416404278 /nfs/dbraw/zinc/40/42/78/416404278.db2.gz DSLUIJGABJQUGX-GFCCVEGCSA-N 0 0 322.390 0.891 10 0 DCAERN CO[C@@](C)(CNC(=O)[C@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000360765000 416409159 /nfs/dbraw/zinc/40/91/59/416409159.db2.gz RDSYTGFFPKNHAX-CVEARBPZSA-N 0 0 308.378 0.531 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCn1ccnc1 ZINC000361684796 416474635 /nfs/dbraw/zinc/47/46/35/416474635.db2.gz AYYMGWWVQDYMJJ-UHFFFAOYSA-N 0 0 304.354 0.495 10 0 DCAERN O=C(CN1CC[C@@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618094 416477358 /nfs/dbraw/zinc/47/73/58/416477358.db2.gz CJVRKPZKQIANIP-INIZCTEOSA-N 0 0 319.409 0.632 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583616434 416477855 /nfs/dbraw/zinc/47/78/55/416477855.db2.gz RDHCUQMKQDRSIP-LBPRGKRZSA-N 0 0 302.400 0.464 10 0 DCAERN C[C@@H](CNC(=O)NCC(=O)NC1CCCCC1)S(C)(=O)=O ZINC000533129616 416477979 /nfs/dbraw/zinc/47/79/79/416477979.db2.gz YLLJXQMNMHXHBU-JTQLQIEISA-N 0 0 319.427 0.168 10 0 DCAERN Cn1cc(Cl)cc1C(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617664 416478759 /nfs/dbraw/zinc/47/87/59/416478759.db2.gz BDWKNAOIZKZRJF-ZDUSSCGKSA-N 0 0 309.757 0.920 10 0 DCAERN CCN1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000361700916 416478914 /nfs/dbraw/zinc/47/89/14/416478914.db2.gz YZNVWYRODRLBBJ-UHFFFAOYSA-N 0 0 307.398 0.646 10 0 DCAERN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361699401 416479557 /nfs/dbraw/zinc/47/95/57/416479557.db2.gz AYKXQDXNLPBESD-VIFPVBQESA-N 0 0 309.370 0.123 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]2CCCO2)C1 ZINC000583623788 416480539 /nfs/dbraw/zinc/48/05/39/416480539.db2.gz DTWHMXLYRZTJEH-HUUCEWRRSA-N 0 0 311.426 0.918 10 0 DCAERN CCn1cnnc1[C@H]1CN(C(=O)N[C@H](COC)C2CC2)CCO1 ZINC000583622053 416480729 /nfs/dbraw/zinc/48/07/29/416480729.db2.gz IIZAFALNQHAKKH-CHWSQXEVSA-N 0 0 323.397 0.806 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)CCc1nc2ccccc2oc1=O ZINC000361036622 416419313 /nfs/dbraw/zinc/41/93/13/416419313.db2.gz HOYCOSMKOSNMIE-VIFPVBQESA-N 0 0 303.318 0.501 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCC[C@H]1O ZINC000361512474 416443301 /nfs/dbraw/zinc/44/33/01/416443301.db2.gz ZDBWTKVWEYWCBC-SDDRHHMPSA-N 0 0 323.397 0.862 10 0 DCAERN C[C@H](C1CC1)N(C)S(=O)(=O)N1CCSC[C@@H]1CCO ZINC000535455866 416521847 /nfs/dbraw/zinc/52/18/47/416521847.db2.gz HSQXWDIPNGSBSR-PWSUYJOCSA-N 0 0 308.469 0.761 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](NC(N)=O)C1)CO2 ZINC000535707405 416524008 /nfs/dbraw/zinc/52/40/08/416524008.db2.gz GLMSPPPMJWSMFO-PWSUYJOCSA-N 0 0 304.350 0.881 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC23CCC3)c1C ZINC000361934882 416525057 /nfs/dbraw/zinc/52/50/57/416525057.db2.gz FLRYWTZICUBXIC-UHFFFAOYSA-N 0 0 320.349 0.458 10 0 DCAERN OC[C@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)ncn1 ZINC000435605364 416526937 /nfs/dbraw/zinc/52/69/37/416526937.db2.gz SLRMEFNYJYIPDQ-ZJUUUORDSA-N 0 0 302.325 0.866 10 0 DCAERN CCN(CC)C(=O)CN1CCN(Cc2cnnn2CC)CC1 ZINC000459309820 416532017 /nfs/dbraw/zinc/53/20/17/416532017.db2.gz QBGDXOXEYITHCD-UHFFFAOYSA-N 0 0 308.430 0.284 10 0 DCAERN COC[C@@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(F)cc1 ZINC000435842155 416537490 /nfs/dbraw/zinc/53/74/90/416537490.db2.gz BTGPGUKEMOZMHV-GFCCVEGCSA-N 0 0 321.308 1.565 10 0 DCAERN NS(=O)(=O)c1cnc(NC[C@H](CO)c2ccccc2)s1 ZINC000487699567 416556706 /nfs/dbraw/zinc/55/67/06/416556706.db2.gz WHBSRKICQLQKKJ-SNVBAGLBSA-N 0 0 313.404 0.979 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCO[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000362077217 416556966 /nfs/dbraw/zinc/55/69/66/416556966.db2.gz IVYHUQDKGABQKA-GARJFASQSA-N 0 0 309.366 0.533 10 0 DCAERN NC(=O)N[C@@H]1CCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000534229694 416494619 /nfs/dbraw/zinc/49/46/19/416494619.db2.gz ICPJXSDEADGTBF-MRVPVSSYSA-N 0 0 309.395 0.313 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)COC)c1 ZINC000534247782 416496333 /nfs/dbraw/zinc/49/63/33/416496333.db2.gz ADURQQGAQGSHDG-AWEZNQCLSA-N 0 0 315.391 0.607 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CC[C@H](O)C3)sc2C1 ZINC000434954627 416508088 /nfs/dbraw/zinc/50/80/88/416508088.db2.gz JLSGAVJDHYNSOC-BDAKNGLRSA-N 0 0 309.391 0.800 10 0 DCAERN CC1(C)C(=O)N(Cc2ncc(C3CC3)o2)C(=O)N1CC(N)=O ZINC000534764594 416508328 /nfs/dbraw/zinc/50/83/28/416508328.db2.gz QWURHSWJSFANOA-UHFFFAOYSA-N 0 0 306.322 0.580 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](NC(N)=O)C2)c1C ZINC000535000993 416511748 /nfs/dbraw/zinc/51/17/48/416511748.db2.gz PGZAQPFCDJJFFA-SNVBAGLBSA-N 0 0 322.365 0.691 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCSC[C@@H]1CCO ZINC000458964074 416514736 /nfs/dbraw/zinc/51/47/36/416514736.db2.gz FIYSNKYLXHQXKZ-FRRDWIJNSA-N 0 0 318.439 0.547 10 0 DCAERN COc1ccccc1OCC(=O)NCCn1cnccc1=O ZINC000585238221 416519430 /nfs/dbraw/zinc/51/94/30/416519430.db2.gz UMTNKVDYSBTFLV-UHFFFAOYSA-N 0 0 303.318 0.447 10 0 DCAERN CNC(=O)[C@H](Nc1nccc(N[C@H]2CCCOC2)n1)C(C)C ZINC000435352180 416519784 /nfs/dbraw/zinc/51/97/84/416519784.db2.gz ASSDGAKRAOVEPX-WCQYABFASA-N 0 0 307.398 1.250 10 0 DCAERN CNC(=O)[C@H](Nc1nccc(N[C@@H]2CCCOC2)n1)C(C)C ZINC000435352179 416520752 /nfs/dbraw/zinc/52/07/52/416520752.db2.gz ASSDGAKRAOVEPX-DGCLKSJQSA-N 0 0 307.398 1.250 10 0 DCAERN CC(C)(C)c1nc(N[C@@H]2CCN(C3CCOCC3)C2=O)no1 ZINC000364657468 416591274 /nfs/dbraw/zinc/59/12/74/416591274.db2.gz UVRYNEFIPPATAN-LLVKDONJSA-N 0 0 308.382 1.559 10 0 DCAERN CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ncn(C(C)(C)C)n2)C1=O ZINC000541319584 416606810 /nfs/dbraw/zinc/60/68/10/416606810.db2.gz LQXRCCLXLWBREL-CQSZACIVSA-N 0 0 322.369 0.692 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC23CCC3)cn1 ZINC000365698793 416607325 /nfs/dbraw/zinc/60/73/25/416607325.db2.gz BKJCQCONGXKCOJ-UHFFFAOYSA-N 0 0 319.365 0.113 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@@H](O)C(F)F)c1 ZINC000437028359 416579294 /nfs/dbraw/zinc/57/92/94/416579294.db2.gz AYNCISWWKHAPDA-SECBINFHSA-N 0 0 306.240 0.515 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)CO1 ZINC000437290504 416582426 /nfs/dbraw/zinc/58/24/26/416582426.db2.gz JYLXJNPVCQLXOM-VHSXEESVSA-N 0 0 309.370 0.607 10 0 DCAERN O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000613158867 416675242 /nfs/dbraw/zinc/67/52/42/416675242.db2.gz IBTKOLPEFGRFPA-JTQLQIEISA-N 0 0 300.318 0.715 10 0 DCAERN NC(=O)COc1ccc(NC(=O)C(=O)N2CCC23CCC3)cc1 ZINC000441521650 416675436 /nfs/dbraw/zinc/67/54/36/416675436.db2.gz PWMMBNAWLRRTHL-UHFFFAOYSA-N 0 0 317.345 0.644 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000442256730 416689745 /nfs/dbraw/zinc/68/97/45/416689745.db2.gz SLWCOBSDTIRUOA-WDEREUQCSA-N 0 0 307.398 0.526 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000368820321 416695249 /nfs/dbraw/zinc/69/52/49/416695249.db2.gz DGBZNBONGRFJRD-LBPRGKRZSA-N 0 0 311.332 0.920 10 0 DCAERN COC(=O)c1cc(NC(=O)C(=O)N2CCOCC[C@H]2C)cn1C ZINC000368939456 416707363 /nfs/dbraw/zinc/70/73/63/416707363.db2.gz RPQXPDMEONHBEY-SNVBAGLBSA-N 0 0 323.349 0.388 10 0 DCAERN COC[C@@H](NC(=O)Nc1ncn(C(C)(C)C)n1)[C@@H]1CCCO1 ZINC000555800604 416712789 /nfs/dbraw/zinc/71/27/89/416712789.db2.gz RCVOEEIOMIYJNR-MNOVXSKESA-N 0 0 311.386 1.349 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NCCOCC2CCC2)CC1 ZINC000516126256 416714186 /nfs/dbraw/zinc/71/41/86/416714186.db2.gz UVGNDXNTJUYZIV-UHFFFAOYSA-N 0 0 318.439 0.927 10 0 DCAERN CC(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nc1 ZINC000425672505 416720437 /nfs/dbraw/zinc/72/04/37/416720437.db2.gz WEFJBRYUUWWDAF-SNVBAGLBSA-N 0 0 304.306 0.553 10 0 DCAERN COCc1cncc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)c1 ZINC000614889735 416721277 /nfs/dbraw/zinc/72/12/77/416721277.db2.gz POVGZIMEQCYBGN-STQMWFEESA-N 0 0 308.334 0.367 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369143983 416728307 /nfs/dbraw/zinc/72/83/07/416728307.db2.gz NGLZHEHYFNLILF-KBPBESRZSA-N 0 0 310.394 0.510 10 0 DCAERN CC=CC[C@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O ZINC000516616072 416729835 /nfs/dbraw/zinc/72/98/35/416729835.db2.gz HUEHACJSFQZQTE-KXMPLOMGSA-N 0 0 300.380 0.698 10 0 DCAERN CCOC(=O)c1ccccc1S(=O)(=O)N(C)CCCO ZINC000443092117 416732615 /nfs/dbraw/zinc/73/26/15/416732615.db2.gz IWNBWPIQFMWQJJ-UHFFFAOYSA-N 0 0 301.364 0.866 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NC2C[C@@H](C)O[C@H](C)C2)[nH]n1 ZINC000557455483 416734003 /nfs/dbraw/zinc/73/40/03/416734003.db2.gz DKLOIQFRWCWULO-MVWJERBFSA-N 0 0 322.409 0.838 10 0 DCAERN Cc1cc(CCNC(=O)NCC(=O)Nc2cccnc2)on1 ZINC000558172720 416763097 /nfs/dbraw/zinc/76/30/97/416763097.db2.gz JASDOYCLFFVMBS-UHFFFAOYSA-N 0 0 303.322 0.858 10 0 DCAERN CCO[C@H]1C[C@@](NCC(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444748739 416863712 /nfs/dbraw/zinc/86/37/12/416863712.db2.gz RNTSKSSSMSQHOV-XHDPSFHLSA-N 0 0 300.399 0.801 10 0 DCAERN COCc1noc(CN2CCN(Cc3ncc(C)cn3)CC2)n1 ZINC000444740789 416863852 /nfs/dbraw/zinc/86/38/52/416863852.db2.gz XWZFTLPXXXSSKK-UHFFFAOYSA-N 0 0 318.381 0.632 10 0 DCAERN CCO[C@H]1C[C@@](NCc2nnc(C)n2C)(C(=O)OC)C1(C)C ZINC000444746944 416866156 /nfs/dbraw/zinc/86/61/56/416866156.db2.gz GRFASAWRPGCCNM-XHDPSFHLSA-N 0 0 310.398 0.960 10 0 DCAERN Cc1cnc([C@H](C)NC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)s1 ZINC000623698316 416869046 /nfs/dbraw/zinc/86/90/46/416869046.db2.gz YGBSDGGEMRTHOL-HGNGGELXSA-N 0 0 312.395 0.797 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282594 416825586 /nfs/dbraw/zinc/82/55/86/416825586.db2.gz XTKKUXZLTZGVFQ-ZWNOBZJWSA-N 0 0 305.396 0.815 10 0 DCAERN Cn1cnc2cc(S(=O)(=O)N3C[C@H](F)C[C@@H]3CO)ccc21 ZINC000444280107 416826676 /nfs/dbraw/zinc/82/66/76/416826676.db2.gz RYYITJRAZGXCFE-NXEZZACHSA-N 0 0 313.354 0.667 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)CCOC(C)(C)C)C1 ZINC000632142059 416923785 /nfs/dbraw/zinc/92/37/85/416923785.db2.gz XJKAOULNACBWRW-ZDUSSCGKSA-N 0 0 320.455 0.932 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000373807810 416964712 /nfs/dbraw/zinc/96/47/12/416964712.db2.gz WNXPNVDACYUETB-SLEUVZQESA-N 0 0 313.398 0.491 10 0 DCAERN CN(C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)[C@@H]1CCNC1=O ZINC000446526866 416933893 /nfs/dbraw/zinc/93/38/93/416933893.db2.gz BGBNSQRPLVJWOF-BDAKNGLRSA-N 0 0 319.287 0.553 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1C ZINC000565191432 416941294 /nfs/dbraw/zinc/94/12/94/416941294.db2.gz PJLRYBFFJSVVRY-UHFFFAOYSA-N 0 0 317.345 0.485 10 0 DCAERN Cc1ccn(-c2ccc(N3CCN4CCOC[C@@H]4C3)nn2)n1 ZINC000375851949 417014823 /nfs/dbraw/zinc/01/48/23/417014823.db2.gz VUNOPJJHVXZJBQ-ZDUSSCGKSA-N 0 0 300.366 0.492 10 0 DCAERN CNc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000375837709 417015275 /nfs/dbraw/zinc/01/52/75/417015275.db2.gz HLGYMJPSOSIOHL-LBPRGKRZSA-N 0 0 300.366 1.267 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCc1nnc2ccccn21 ZINC000447197836 416968843 /nfs/dbraw/zinc/96/88/43/416968843.db2.gz BVAQFOTVSSJLDX-UHFFFAOYSA-N 0 0 312.351 0.102 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000374900894 416990185 /nfs/dbraw/zinc/99/01/85/416990185.db2.gz IWYVPHHRVLCEKS-IAQYHMDHSA-N 0 0 323.393 0.782 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOCC[C@@H]1C ZINC000375004774 416991823 /nfs/dbraw/zinc/99/18/23/416991823.db2.gz LCUMADYFNSTLFK-VIFPVBQESA-N 0 0 318.381 0.503 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000375220161 416995403 /nfs/dbraw/zinc/99/54/03/416995403.db2.gz IWNLDVJYMJOMFZ-STQMWFEESA-N 0 0 303.428 0.122 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)c2cc(C)cnc2N)CC1 ZINC000431082019 417101083 /nfs/dbraw/zinc/10/10/83/417101083.db2.gz SDOUZTHWGREZAR-UHFFFAOYSA-N 0 0 312.395 0.215 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)C12CCOCC2 ZINC000522024543 417042868 /nfs/dbraw/zinc/04/28/68/417042868.db2.gz QIWTVEMPJHSVNN-CHWSQXEVSA-N 0 0 324.421 0.945 10 0 DCAERN CCc1[nH]nc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)c1C ZINC000448169365 417063674 /nfs/dbraw/zinc/06/36/74/417063674.db2.gz KMVDNQDYBRJOSS-HNNXBMFYSA-N 0 0 304.350 0.832 10 0 DCAERN COc1nc(NC[C@H]2COCCN2C)ncc1Br ZINC000624620164 417071150 /nfs/dbraw/zinc/07/11/50/417071150.db2.gz WRXQCTQWMCKDLK-QMMMGPOBSA-N 0 0 317.187 0.990 10 0 DCAERN CNc1ncc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)s1 ZINC000378322340 417078049 /nfs/dbraw/zinc/07/80/49/417078049.db2.gz WAKKLELPXPDTEN-SECBINFHSA-N 0 0 309.395 0.815 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000448484566 417081030 /nfs/dbraw/zinc/08/10/30/417081030.db2.gz FHFSNZLWDJHHDR-IJLUTSLNSA-N 0 0 306.366 0.630 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3ccncc32)C1 ZINC000616594008 417083598 /nfs/dbraw/zinc/08/35/98/417083598.db2.gz MMFAXAHJIGFIHG-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN CC(=O)Nc1ccc([C@H]2COCCCN2S(N)(=O)=O)cc1 ZINC000616648428 417088594 /nfs/dbraw/zinc/08/85/94/417088594.db2.gz NHOQIXOJNLCYAN-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1cc2ccccc2nn1 ZINC000616659946 417089322 /nfs/dbraw/zinc/08/93/22/417089322.db2.gz KTNPJWFAFYSQME-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616658684 417089957 /nfs/dbraw/zinc/08/99/57/417089957.db2.gz CAAGZAUWKJQMQF-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cnc3ccccc3c2)C1 ZINC000616662774 417091469 /nfs/dbraw/zinc/09/14/69/417091469.db2.gz FCVFWAHSZJSXCG-CYBMUJFWSA-N 0 0 307.375 0.854 10 0 DCAERN Cc1nnc2c(NCc3nn(C)cc3Br)nccn12 ZINC000393329166 417104793 /nfs/dbraw/zinc/10/47/93/417104793.db2.gz YOKMYOKLSAJCDB-UHFFFAOYSA-N 0 0 322.170 1.541 10 0 DCAERN COc1cccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000404208557 417118383 /nfs/dbraw/zinc/11/83/83/417118383.db2.gz SMMXYDHCLUWWGH-CYBMUJFWSA-N 0 0 301.364 0.515 10 0 DCAERN COc1cccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 ZINC000404208560 417118879 /nfs/dbraw/zinc/11/88/79/417118879.db2.gz SMMXYDHCLUWWGH-ZDUSSCGKSA-N 0 0 301.364 0.515 10 0 DCAERN Cc1nc(NCCc2ncccc2C)sc1S(N)(=O)=O ZINC000404717648 417120334 /nfs/dbraw/zinc/12/03/34/417120334.db2.gz IJJIGSKEBLKJJN-UHFFFAOYSA-N 0 0 312.420 1.457 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407958977 417127768 /nfs/dbraw/zinc/12/77/68/417127768.db2.gz SMTWAYCUZXLVAK-RYUDHWBXSA-N 0 0 315.439 0.516 10 0 DCAERN CC(C)N1CCC[C@H](N2CCC[C@@H]2CS(N)(=O)=O)C1=O ZINC000407950739 417126691 /nfs/dbraw/zinc/12/66/91/417126691.db2.gz DHVLPYNKFVIKTQ-NEPJUHHUSA-N 0 0 303.428 0.139 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000525233028 417132533 /nfs/dbraw/zinc/13/25/33/417132533.db2.gz WRLTUZGRTXDKPD-OLZOCXBDSA-N 0 0 307.398 0.993 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000408023849 417134599 /nfs/dbraw/zinc/13/45/99/417134599.db2.gz WGSWNSUVWKYEMM-NWANDNLSSA-N 0 0 319.409 0.382 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2[C@H](C)C[C@H]2C)CC1 ZINC000525921005 417161665 /nfs/dbraw/zinc/16/16/65/417161665.db2.gz RBNUKEVSASOHQY-VXGBXAGGSA-N 0 0 310.398 0.260 10 0 DCAERN CC(=O)CCc1ccc(OCCC(=O)N[C@H]2CCNC2=O)cc1 ZINC000616966814 417143819 /nfs/dbraw/zinc/14/38/19/417143819.db2.gz YBEHMMIVEVCUGE-HNNXBMFYSA-N 0 0 318.373 0.982 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCCC1 ZINC000408238090 417148121 /nfs/dbraw/zinc/14/81/21/417148121.db2.gz SVSTYIBFJCEBCK-WDEREUQCSA-N 0 0 320.411 0.416 10 0 DCAERN c1coc(-c2noc(CN3CCN(c4nccnn4)CC3)n2)c1 ZINC000625635810 417149458 /nfs/dbraw/zinc/14/94/58/417149458.db2.gz MYCSTOBBHONQHO-UHFFFAOYSA-N 0 0 313.321 0.837 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000408272769 417151262 /nfs/dbraw/zinc/15/12/62/417151262.db2.gz IXHHXTDSUGLRHT-MGPQQGTHSA-N 0 0 311.426 0.517 10 0 DCAERN c1cc(-c2noc(CN3CCN(c4nccnn4)CC3)n2)co1 ZINC000625637522 417151429 /nfs/dbraw/zinc/15/14/29/417151429.db2.gz WHWOITPOYWNCOH-UHFFFAOYSA-N 0 0 313.321 0.837 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)CCO2 ZINC000408300606 417152955 /nfs/dbraw/zinc/15/29/55/417152955.db2.gz YQEHVHUDEAQHTE-MQIPJXDCSA-N 0 0 321.377 0.934 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1C[C@H](C)O ZINC000408317138 417154527 /nfs/dbraw/zinc/15/45/27/417154527.db2.gz VOKBLGBWSRNQSU-VHSXEESVSA-N 0 0 318.361 0.656 10 0 DCAERN CO[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@H]1OC ZINC000408363889 417155960 /nfs/dbraw/zinc/15/59/60/417155960.db2.gz BZUNQGGPTDUWEH-GHMZBOCLSA-N 0 0 305.396 0.216 10 0 DCAERN CN1CCO[C@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552759 417157719 /nfs/dbraw/zinc/15/77/19/417157719.db2.gz YCWWPGVHQLXSDO-MELADBBJSA-N 0 0 318.439 0.005 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397890 417159551 /nfs/dbraw/zinc/15/95/51/417159551.db2.gz ZREHBTUEIYLSLQ-MNOVXSKESA-N 0 0 305.444 0.113 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000408413384 417159948 /nfs/dbraw/zinc/15/99/48/417159948.db2.gz GQLKFGKSKMJMHU-QMMMGPOBSA-N 0 0 316.383 0.245 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)CC3(O)CCC3)CC2)n1 ZINC000449919639 417187885 /nfs/dbraw/zinc/18/78/85/417187885.db2.gz RZESGEJQVGDVRM-UHFFFAOYSA-N 0 0 319.409 0.496 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)CC2 ZINC000527252191 417229851 /nfs/dbraw/zinc/22/98/51/417229851.db2.gz OPNUBRZDUQRPCY-GXFFZTMASA-N 0 0 320.393 0.351 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@]2(CCOC2)O1 ZINC000527026832 417202587 /nfs/dbraw/zinc/20/25/87/417202587.db2.gz HBSPZCSHHUZECV-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN COc1ccc(NC(=O)N[C@@H]2CCCc3nn(C)cc32)nn1 ZINC000568671375 417162992 /nfs/dbraw/zinc/16/29/92/417162992.db2.gz NBTZCNBENYVOPS-SNVBAGLBSA-N 0 0 302.338 1.418 10 0 DCAERN CC(=O)c1cn(CC(=O)NC[C@]2(O)CCCC(C)(C)C2)nn1 ZINC000450994147 417291142 /nfs/dbraw/zinc/29/11/42/417291142.db2.gz BLVPLRKKBAGRAR-HNNXBMFYSA-N 0 0 308.382 0.928 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000632994899 417310980 /nfs/dbraw/zinc/31/09/80/417310980.db2.gz IMNFCRABUQEEAX-NSHDSACASA-N 0 0 318.377 0.595 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCSC[C@@H]1CCO ZINC000451348226 417336404 /nfs/dbraw/zinc/33/64/04/417336404.db2.gz VLLJTDXKFJPEHD-NEPJUHHUSA-N 0 0 311.469 0.789 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCCF ZINC000627431392 417407602 /nfs/dbraw/zinc/40/76/02/417407602.db2.gz AIEOIRMHGKIZFC-UHFFFAOYSA-N 0 0 303.378 0.662 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000633322268 417409330 /nfs/dbraw/zinc/40/93/30/417409330.db2.gz YWGATIIMTFJIAA-OLZOCXBDSA-N 0 0 316.423 0.423 10 0 DCAERN CO[C@@H]1CN(C(=O)c2noc3c2CCCC3)C[C@H]1c1cn[nH]n1 ZINC000622168626 417412671 /nfs/dbraw/zinc/41/26/71/417412671.db2.gz IDMYCSBAYLOMBJ-GXFFZTMASA-N 0 0 317.349 0.926 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C2CN(CC(F)F)C2)CC1 ZINC000622356407 417433252 /nfs/dbraw/zinc/43/32/52/417433252.db2.gz KNUBHFQQSTYZKR-UHFFFAOYSA-N 0 0 303.353 0.558 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@@H]2CCc3nc(COC)nn3C2)C1=O ZINC000571118409 417424676 /nfs/dbraw/zinc/42/46/76/417424676.db2.gz NYPJIOFXMIBPMQ-CJOPTALJSA-N 0 0 319.365 0.626 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)c1ncc[nH]1 ZINC000627465844 417425313 /nfs/dbraw/zinc/42/53/13/417425313.db2.gz QENADLJKKLXUJH-SECBINFHSA-N 0 0 323.397 0.396 10 0 DCAERN CCOC(=O)CCN(C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000438745981 287375753 /nfs/dbraw/zinc/37/57/53/287375753.db2.gz SFQPANNDBGGYGY-UHFFFAOYSA-N 0 0 310.354 0.387 10 0 DCAERN C[C@H](C(=O)N(C)C)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451659869 417374569 /nfs/dbraw/zinc/37/45/69/417374569.db2.gz CGZDYMVEMNYRSS-LLVKDONJSA-N 0 0 305.378 0.780 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@@](O)(CO)C2)c(C(F)(F)F)n1 ZINC000622689786 417486736 /nfs/dbraw/zinc/48/67/36/417486736.db2.gz RYCLGUTXCFVZBE-LBPRGKRZSA-N 0 0 321.299 0.881 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NCCn2cnccc2=O)c1C ZINC000633560203 417452686 /nfs/dbraw/zinc/45/26/86/417452686.db2.gz HVMRMCGXRCQIFW-UHFFFAOYSA-N 0 0 302.334 0.821 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)CC12COC2 ZINC000452224794 417459562 /nfs/dbraw/zinc/45/95/62/417459562.db2.gz PSMVREOZXSMLAC-ZDEQEGDKSA-N 0 0 311.378 0.838 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CC12COC2 ZINC000452224533 417459676 /nfs/dbraw/zinc/45/96/76/417459676.db2.gz PIMSUMQXZBRLFR-VXGBXAGGSA-N 0 0 324.377 0.083 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cccnc2OC)CC12COC2 ZINC000452232421 417460071 /nfs/dbraw/zinc/46/00/71/417460071.db2.gz WKGJZTUBALPCPZ-LBPRGKRZSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cccnc2OC)CC12COC2 ZINC000452232420 417460421 /nfs/dbraw/zinc/46/04/21/417460421.db2.gz WKGJZTUBALPCPZ-GFCCVEGCSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cnn(C)c2C)CC12COC2 ZINC000452231720 417460946 /nfs/dbraw/zinc/46/09/46/417460946.db2.gz ZYMISKFFIORHAJ-ZDUSSCGKSA-N 0 0 321.377 0.309 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2oc(C)nc2C)CC12COC2 ZINC000452254028 417461654 /nfs/dbraw/zinc/46/16/54/417461654.db2.gz FHNGGXQDNUDOPP-NSHDSACASA-N 0 0 308.334 0.943 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000633608998 417463165 /nfs/dbraw/zinc/46/31/65/417463165.db2.gz HIFUWCCJCUITHE-CQSZACIVSA-N 0 0 301.346 0.922 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(O)cccc2O)CC12COC2 ZINC000452265512 417464816 /nfs/dbraw/zinc/46/48/16/417464816.db2.gz QQGJRIKQIOJZDT-SNVBAGLBSA-N 0 0 321.329 0.750 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1c2ccccc2CN(C)C1=O ZINC000633680004 417477300 /nfs/dbraw/zinc/47/73/00/417477300.db2.gz CGFZAYQGWHDKDA-CABCVRRESA-N 0 0 315.373 0.827 10 0 DCAERN CCN1C[C@@H](NC(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1=O ZINC000453933512 417537343 /nfs/dbraw/zinc/53/73/43/417537343.db2.gz PQZBKHGTDXYSJR-JTQLQIEISA-N 0 0 321.381 0.219 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000627969599 417542813 /nfs/dbraw/zinc/54/28/13/417542813.db2.gz SLGHLWNZVOTOMY-GXSJLCMTSA-N 0 0 313.398 0.090 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000633867357 417501659 /nfs/dbraw/zinc/50/16/59/417501659.db2.gz LWHMCHLSRFMWJU-MQYQWHSLSA-N 0 0 322.405 0.924 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000454851574 417581922 /nfs/dbraw/zinc/58/19/22/417581922.db2.gz VQQBXVRAVKGMNK-FRRDWIJNSA-N 0 0 312.414 0.999 10 0 DCAERN NS(=O)(=O)CCCNC(=O)Nc1cccc2c1OCCC2 ZINC000454956652 417586037 /nfs/dbraw/zinc/58/60/37/417586037.db2.gz LFEDFAUBKHZNJE-UHFFFAOYSA-N 0 0 313.379 0.812 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCCc2occc2C1 ZINC000644482543 417594426 /nfs/dbraw/zinc/59/44/26/417594426.db2.gz LSTYCERTVITUQM-CYBMUJFWSA-N 0 0 306.362 0.928 10 0 DCAERN C[C@H](O)CN(CC(F)F)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000455133144 417594843 /nfs/dbraw/zinc/59/48/43/417594843.db2.gz JGNYOMHCWJZJAM-QMMMGPOBSA-N 0 0 305.329 1.513 10 0 DCAERN CC(=O)c1cn(CC(=O)NC[C@@H]2Cc3ccccc3CO2)nn1 ZINC000628359859 417611230 /nfs/dbraw/zinc/61/12/30/417611230.db2.gz WLSORGWUZZSDRK-AWEZNQCLSA-N 0 0 314.345 0.738 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000455584203 417611800 /nfs/dbraw/zinc/61/18/00/417611800.db2.gz JURFOWAGJXVGJR-PWSUYJOCSA-N 0 0 310.398 0.389 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2nccn2C)CC12COC2 ZINC000454524142 417566133 /nfs/dbraw/zinc/56/61/33/417566133.db2.gz HXXSDNUJCGDPBO-LLVKDONJSA-N 0 0 322.365 0.141 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)[C@@H](OC)C2CC2)C1 ZINC000454686500 417575008 /nfs/dbraw/zinc/57/50/08/417575008.db2.gz UCHYIZOMUXZYRA-WCFLWFBJSA-N 0 0 312.414 0.903 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000530460920 417577078 /nfs/dbraw/zinc/57/70/78/417577078.db2.gz MJIPMYHHSDFWGX-SDDRHHMPSA-N 0 0 319.427 0.135 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000531617456 417633319 /nfs/dbraw/zinc/63/33/19/417633319.db2.gz PGYSFJOGFSPMLJ-LBPRGKRZSA-N 0 0 322.409 0.355 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000531812037 417641567 /nfs/dbraw/zinc/64/15/67/417641567.db2.gz ACQKWXZWIWZKDH-LLVKDONJSA-N 0 0 320.397 0.350 10 0 DCAERN CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628728505 417683737 /nfs/dbraw/zinc/68/37/37/417683737.db2.gz PZIMXPVWBDLEFU-GFCCVEGCSA-N 0 0 316.365 0.579 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCOCC1CCCC1 ZINC000457164097 417692928 /nfs/dbraw/zinc/69/29/28/417692928.db2.gz SUISUPSUFAFYMQ-KRWDZBQOSA-N 0 0 322.405 0.922 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCCn2ccnc2)[C@H](C)C1 ZINC000531921346 417649902 /nfs/dbraw/zinc/64/99/02/417649902.db2.gz JLDFNCYIKKNQFO-CYBMUJFWSA-N 0 0 307.398 0.926 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC(S(C)(=O)=O)C1 ZINC000456959827 417671402 /nfs/dbraw/zinc/67/14/02/417671402.db2.gz WQXJTWLNCZCZOA-SNVBAGLBSA-N 0 0 310.375 0.060 10 0 DCAERN CCOc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000457975363 417713603 /nfs/dbraw/zinc/71/36/03/417713603.db2.gz DKSXGLXZLWVUSZ-CYBMUJFWSA-N 0 0 319.365 0.537 10 0 DCAERN Cn1ncc(Br)c1C(=O)NC[C@H]1COCCN1C ZINC000628913058 417718553 /nfs/dbraw/zinc/71/85/53/417718553.db2.gz MBWAHCGBJYLMRS-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN Cc1ccc2nc(C(=O)NC[C@@H](O)Cn3ccnn3)ccc2c1 ZINC000458132056 417723413 /nfs/dbraw/zinc/72/34/13/417723413.db2.gz HDIQZQCVSMCJJZ-CYBMUJFWSA-N 0 0 311.345 0.926 10 0 DCAERN COc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1C ZINC000458125421 417723870 /nfs/dbraw/zinc/72/38/70/417723870.db2.gz BBLCXQJTDAOKNJ-GFCCVEGCSA-N 0 0 320.349 0.151 10 0 DCAERN CC(C)(C)c1ncc(C(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000458127008 417723908 /nfs/dbraw/zinc/72/39/08/417723908.db2.gz CNVLCGCTPTVQCH-SECBINFHSA-N 0 0 309.395 0.823 10 0 DCAERN CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458130015 417724184 /nfs/dbraw/zinc/72/41/84/417724184.db2.gz FNVZHCRKZANBSE-DGCLKSJQSA-N 0 0 322.340 0.752 10 0 DCAERN CC[C@@H](C)Oc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccn1 ZINC000458139638 417725277 /nfs/dbraw/zinc/72/52/77/417725277.db2.gz MUJLNENGCGBYDG-YPMHNXCESA-N 0 0 319.365 0.641 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000582160209 417733578 /nfs/dbraw/zinc/73/35/78/417733578.db2.gz CDKODCQAMHYZKA-MNOVXSKESA-N 0 0 302.334 0.909 10 0 DCAERN O=C1CN(C[C@H](O)CC2(O)CCOCC2)[C@@H]2CCCC[C@H]2N1 ZINC000630037259 417803106 /nfs/dbraw/zinc/80/31/06/417803106.db2.gz JJJXVISGDMNZTG-MGPQQGTHSA-N 0 0 312.410 0.022 10 0 DCAERN O=C1CN(C[C@H](O)CC2(O)CCOCC2)[C@H]2CCCC[C@H]2N1 ZINC000630037258 417803516 /nfs/dbraw/zinc/80/35/16/417803516.db2.gz JJJXVISGDMNZTG-MCIONIFRSA-N 0 0 312.410 0.022 10 0 DCAERN CO[C@@H]1COCC[C@H]1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000452633975 287483297 /nfs/dbraw/zinc/48/32/97/287483297.db2.gz KVEDCEZSNXFCET-WCQYABFASA-N 0 0 323.393 0.989 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](O)C2)CC12COC2 ZINC000452612584 287482344 /nfs/dbraw/zinc/48/23/44/287482344.db2.gz LANXUGOWYTWYET-XQQFMLRXSA-N 0 0 311.378 0.576 10 0 DCAERN Cc1cc([C@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)c(C)o1 ZINC000458049121 287496700 /nfs/dbraw/zinc/49/67/00/287496700.db2.gz AVMQXYWXUQKSBE-JQWIXIFHSA-N 0 0 307.354 0.909 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](CO)[C@H]2C)oc1C ZINC000487401403 287536212 /nfs/dbraw/zinc/53/62/12/287536212.db2.gz FAJLOULAZKVUOE-SCZZXKLOSA-N 0 0 317.363 0.766 10 0 DCAERN CCCSCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000487124473 287532268 /nfs/dbraw/zinc/53/22/68/287532268.db2.gz ZWCLUKMBXWOEKP-UWVGGRQHSA-N 0 0 304.412 0.702 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](CO)C1 ZINC000298709071 228711911 /nfs/dbraw/zinc/71/19/11/228711911.db2.gz GHNPBZOAPNGWMT-KBPBESRZSA-N 0 0 319.409 0.859 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1COc2ccccc2C1 ZINC000299612916 229261947 /nfs/dbraw/zinc/26/19/47/229261947.db2.gz IABWFCJTQLZEFY-DGCLKSJQSA-N 0 0 301.350 0.970 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)N1CCOCC1 ZINC000046269124 261105954 /nfs/dbraw/zinc/10/59/54/261105954.db2.gz CSTKICWVFDMDGP-WFASDCNBSA-N 0 0 318.373 0.605 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cn(C)cn1 ZINC000179306937 261112545 /nfs/dbraw/zinc/11/25/45/261112545.db2.gz WYMZMDDKTKYLOH-NSHDSACASA-N 0 0 311.345 0.949 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1cnc(-c2ccccc2)n1)C(C)C ZINC000179284046 261112568 /nfs/dbraw/zinc/11/25/68/261112568.db2.gz RKGKOZVUOYWRDL-AWEZNQCLSA-N 0 0 315.377 0.832 10 0 DCAERN COC(=O)C1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000179441160 261112572 /nfs/dbraw/zinc/11/25/72/261112572.db2.gz FPVBUBIZLSZLPE-UHFFFAOYSA-N 0 0 312.410 0.804 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C ZINC000180469910 261113768 /nfs/dbraw/zinc/11/37/68/261113768.db2.gz BYHKMOJNCKYQDZ-CYBMUJFWSA-N 0 0 324.402 0.799 10 0 DCAERN COc1ccc(-n2nnc(C(=O)NC3(CO)CC3)c2C)cc1 ZINC000179732355 261113843 /nfs/dbraw/zinc/11/38/43/261113843.db2.gz YLACXYJXEOIDPT-UHFFFAOYSA-N 0 0 302.334 0.839 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000186146399 261121040 /nfs/dbraw/zinc/12/10/40/261121040.db2.gz HXCISXYZTUSBEV-JTQLQIEISA-N 0 0 304.350 0.401 10 0 DCAERN CNC(=O)c1cccc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)c1 ZINC000186201532 261121592 /nfs/dbraw/zinc/12/15/92/261121592.db2.gz HBQVNRRAYDTMQW-UHFFFAOYSA-N 0 0 323.312 0.930 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000187323989 261124191 /nfs/dbraw/zinc/12/41/91/261124191.db2.gz XACBYPWXFOYNGS-GFCCVEGCSA-N 0 0 318.439 0.732 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000188547911 261128413 /nfs/dbraw/zinc/12/84/13/261128413.db2.gz CSSMEYXSWNXXSW-UHFFFAOYSA-N 0 0 306.746 0.988 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000188732214 261130609 /nfs/dbraw/zinc/13/06/09/261130609.db2.gz MEAZQBVJOXWIJP-ZWNOBZJWSA-N 0 0 310.398 0.371 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000190286452 261134334 /nfs/dbraw/zinc/13/43/34/261134334.db2.gz NPDQWQOGGVRUSG-UHFFFAOYSA-N 0 0 319.287 0.469 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCOCC(F)F)C[C@H](C)O1 ZINC000190963952 261135753 /nfs/dbraw/zinc/13/57/53/261135753.db2.gz ZOKAHKXDCDUFKF-IUCAKERBSA-N 0 0 302.343 0.212 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc32)CC1 ZINC000192988917 261139667 /nfs/dbraw/zinc/13/96/67/261139667.db2.gz XOKRAOYCZCLCEM-SNVBAGLBSA-N 0 0 319.336 0.972 10 0 DCAERN CC(C)(C)CNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000193549082 261142219 /nfs/dbraw/zinc/14/22/19/261142219.db2.gz DYZNXBAQAQEDLX-UHFFFAOYSA-N 0 0 310.442 0.982 10 0 DCAERN Cc1ccc([C@@H](C)NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193637349 261143216 /nfs/dbraw/zinc/14/32/16/261143216.db2.gz LHWKFPQCZYACJM-SECBINFHSA-N 0 0 320.349 0.101 10 0 DCAERN CN1CCC[C@H]1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000194696823 261147418 /nfs/dbraw/zinc/14/74/18/261147418.db2.gz LXHMJHSUKFBFMW-LBPRGKRZSA-N 0 0 302.440 0.944 10 0 DCAERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)C1 ZINC000194770380 261148316 /nfs/dbraw/zinc/14/83/16/261148316.db2.gz QVOMUTQVCDZNFI-VXGBXAGGSA-N 0 0 304.346 0.811 10 0 DCAERN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000194799820 261148834 /nfs/dbraw/zinc/14/88/34/261148834.db2.gz JUWGZSPOKPFEJY-SECBINFHSA-N 0 0 309.753 0.873 10 0 DCAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194865887 261149955 /nfs/dbraw/zinc/14/99/55/261149955.db2.gz WTRLIWVQIYSHBF-GFCCVEGCSA-N 0 0 322.409 0.309 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)OCC(F)(F)F ZINC000195208907 261150408 /nfs/dbraw/zinc/15/04/08/261150408.db2.gz TZKOJEQXQKDXNN-VIFPVBQESA-N 0 0 311.304 0.875 10 0 DCAERN COC[C@@H](C)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000195490181 261151831 /nfs/dbraw/zinc/15/18/31/261151831.db2.gz ZIOUUOHHUSDQSR-ZETCQYMHSA-N 0 0 306.409 0.716 10 0 DCAERN CC(C)CN(CC(N)=O)C(=O)Cn1cnc2ccccc2c1=O ZINC000195470732 261152560 /nfs/dbraw/zinc/15/25/60/261152560.db2.gz QBUUNDUFJBUUPX-UHFFFAOYSA-N 0 0 316.361 0.366 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C)(O)CC1 ZINC000234557124 261154097 /nfs/dbraw/zinc/15/40/97/261154097.db2.gz JSBNZFHJZOVCKL-MNOVXSKESA-N 0 0 305.396 0.505 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCC(OC)CC1 ZINC000234594195 261154646 /nfs/dbraw/zinc/15/46/46/261154646.db2.gz PRJZCEHLFBDZSZ-RYUDHWBXSA-N 0 0 305.396 0.769 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCC(C)(O)CC1 ZINC000234605416 261154688 /nfs/dbraw/zinc/15/46/88/261154688.db2.gz JSBNZFHJZOVCKL-WDEREUQCSA-N 0 0 305.396 0.505 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@](O)(C(N)=O)C2)c1C(C)C ZINC000355076675 261304180 /nfs/dbraw/zinc/30/41/80/261304180.db2.gz XWMPJGBGJOBUEX-MRXNPFEDSA-N 0 0 321.377 0.711 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](OC)[C@@H](C)CC ZINC000357128693 261506776 /nfs/dbraw/zinc/50/67/76/261506776.db2.gz RCYXJRLXBMSEMZ-FIQHERPVSA-N 0 0 316.398 0.620 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)NCc3ccn(C)n3)cc12 ZINC000357921178 261601780 /nfs/dbraw/zinc/60/17/80/261601780.db2.gz PWSNGRGAAFMXKG-UHFFFAOYSA-N 0 0 321.362 0.997 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000359525787 261752816 /nfs/dbraw/zinc/75/28/16/261752816.db2.gz PWAGIVVFBRHXRB-WDEREUQCSA-N 0 0 311.382 0.781 10 0 DCAERN O=S(=O)(CC12CCC(CC1)C2)N1CCN2CCOC[C@H]2C1 ZINC000360210846 261809605 /nfs/dbraw/zinc/80/96/05/261809605.db2.gz DGBNVRGEAPZPGU-SHARSMKWSA-N 0 0 314.451 0.913 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000362055925 261993509 /nfs/dbraw/zinc/99/35/09/261993509.db2.gz KAQZXAICKHFAEO-GFCCVEGCSA-N 0 0 305.313 0.585 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC[C@@H](C)[S@](C)=O)C1CCCC1 ZINC000362149518 262005203 /nfs/dbraw/zinc/00/52/03/262005203.db2.gz MVFHQAKHLXJSSW-FBWDIHGXSA-N 0 0 302.440 0.955 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000362433600 262034417 /nfs/dbraw/zinc/03/44/17/262034417.db2.gz PEMGWCKIGFBUAD-LLVKDONJSA-N 0 0 306.284 0.955 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCOCC[C@@H]2C)c1 ZINC000362468436 262038652 /nfs/dbraw/zinc/03/86/52/262038652.db2.gz AJOIZSHYUMHBEZ-NSHDSACASA-N 0 0 312.391 0.893 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C(C)=O)c[nH]1 ZINC000362464450 262038794 /nfs/dbraw/zinc/03/87/94/262038794.db2.gz KKICMWXZIKHREN-DTWKUNHWSA-N 0 0 323.349 0.403 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)NCC(=O)NC1CCCCC1 ZINC000362543450 262044691 /nfs/dbraw/zinc/04/46/91/262044691.db2.gz RPYCJHTVIBFZSM-UHFFFAOYSA-N 0 0 313.398 0.934 10 0 DCAERN COC(=O)C1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000362898189 262085225 /nfs/dbraw/zinc/08/52/25/262085225.db2.gz ZJPJCVKMHJDKEB-UHFFFAOYSA-N 0 0 307.350 0.890 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000363739525 262129322 /nfs/dbraw/zinc/12/93/22/262129322.db2.gz KZPNCIBOZPRQJM-RDBSUJKOSA-N 0 0 314.451 0.610 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN2CCOC[C@H]2C1 ZINC000363791383 262130045 /nfs/dbraw/zinc/13/00/45/262130045.db2.gz CIBPAFCFHKNACR-VXGBXAGGSA-N 0 0 312.414 0.016 10 0 DCAERN O=C(C[C@H]1CSCCS1)N1CCN2CCOC[C@H]2C1 ZINC000363818522 262132167 /nfs/dbraw/zinc/13/21/67/262132167.db2.gz LEQOJOLDUZFIQA-NEPJUHHUSA-N 0 0 302.465 0.768 10 0 DCAERN O=C(c1ccccc1-n1ccnn1)N1CCN2CCOC[C@H]2C1 ZINC000363856466 262135149 /nfs/dbraw/zinc/13/51/49/262135149.db2.gz ORVBKHWVWPCDPW-CYBMUJFWSA-N 0 0 313.361 0.424 10 0 DCAERN CC[C@H](CNC(=O)N1CCN(Cc2nc(C)no2)CC1)OC ZINC000358384626 271051661 /nfs/dbraw/zinc/05/16/61/271051661.db2.gz ZOPCDAPZBRECHT-GFCCVEGCSA-N 0 0 311.386 0.630 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000358795181 271073241 /nfs/dbraw/zinc/07/32/41/271073241.db2.gz FTQAONZWYUAUPL-MELADBBJSA-N 0 0 309.410 0.761 10 0 DCAERN CO[C@@]1(CNC(=O)NCc2nnc3ccccn32)CCOC1 ZINC000359223146 271106281 /nfs/dbraw/zinc/10/62/81/271106281.db2.gz XAWZPCOOBWIJKS-CQSZACIVSA-N 0 0 305.338 0.334 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000360900865 271163667 /nfs/dbraw/zinc/16/36/67/271163667.db2.gz BXILOXFNLUSWCA-RQJABVFESA-N 0 0 312.410 0.537 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CCO1 ZINC000363601513 271196769 /nfs/dbraw/zinc/19/67/69/271196769.db2.gz XWGZFZCCBHODLV-FVCCEPFGSA-N 0 0 311.382 0.053 10 0 DCAERN CCn1cccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)c1=O ZINC000434456707 271529907 /nfs/dbraw/zinc/52/99/07/271529907.db2.gz NMMYEFSXAANFNZ-LBPRGKRZSA-N 0 0 320.393 0.630 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[C@H](O)C1 ZINC000439520194 271641048 /nfs/dbraw/zinc/64/10/48/271641048.db2.gz URVVSRWIBYZKSO-FPMFFAJLSA-N 0 0 310.394 0.434 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442056738 271664492 /nfs/dbraw/zinc/66/44/92/271664492.db2.gz LHRPBHFKWQIZRJ-LLVKDONJSA-N 0 0 309.391 0.655 10 0 DCAERN Cc1nn2cc(S(=O)(=O)N(C)CCCO)cnc2c1Cl ZINC000443090885 271698694 /nfs/dbraw/zinc/69/86/94/271698694.db2.gz SSTJICLIRKQNND-UHFFFAOYSA-N 0 0 318.786 0.694 10 0 DCAERN COC(=O)c1c[nH]c(=O)c(NC(=O)COc2cnn(C)c2)c1 ZINC000443443890 271712248 /nfs/dbraw/zinc/71/22/48/271712248.db2.gz NSJWSPCNSFRIPK-UHFFFAOYSA-N 0 0 306.278 0.325 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 ZINC000448841900 271833397 /nfs/dbraw/zinc/83/33/97/271833397.db2.gz XGNPKSBZEBSYAO-ZDUSSCGKSA-N 0 0 322.434 0.793 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnn(C)c2C)CC12COC2 ZINC000452220868 271910704 /nfs/dbraw/zinc/91/07/04/271910704.db2.gz IKEAYCJAHFORNX-GFCCVEGCSA-N 0 0 307.350 0.380 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](SC)C2)C1 ZINC000458552219 271961948 /nfs/dbraw/zinc/96/19/48/271961948.db2.gz VGFFPCYWSTWZAQ-GHMZBOCLSA-N 0 0 300.428 0.937 10 0 DCAERN CO[C@@H]1COCC[C@H]1CNC(=O)N1CCSC[C@H]1CCO ZINC000458964081 271981837 /nfs/dbraw/zinc/98/18/37/271981837.db2.gz FIYSNKYLXHQXKZ-YNEHKIRRSA-N 0 0 318.439 0.547 10 0 DCAERN COCc1cc(CN2CCN(C(C)(C)C(=O)OC)CC2)no1 ZINC000459508542 271998434 /nfs/dbraw/zinc/99/84/34/271998434.db2.gz XFCPTTWYAUPNEA-UHFFFAOYSA-N 0 0 311.382 0.890 10 0 DCAERN COC(=O)CCCCCS(=O)(=O)NCc1ccn(C)n1 ZINC000471655793 272028911 /nfs/dbraw/zinc/02/89/11/272028911.db2.gz YITBGVABLFNINU-UHFFFAOYSA-N 0 0 303.384 0.573 10 0 DCAERN CN(CC(=O)N[C@H]1CCCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000488928340 272053721 /nfs/dbraw/zinc/05/37/21/272053721.db2.gz GHOYJQVBGGHWLX-WDEREUQCSA-N 0 0 324.393 0.799 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N1CCNC(=O)CC1 ZINC000489471896 272063193 /nfs/dbraw/zinc/06/31/93/272063193.db2.gz HLQUTIKKUNSKIE-UHFFFAOYSA-N 0 0 316.365 0.193 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000490813002 272082384 /nfs/dbraw/zinc/08/23/84/272082384.db2.gz RACDBRUFDSRCTR-LBPRGKRZSA-N 0 0 313.398 0.444 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000491601961 272102557 /nfs/dbraw/zinc/10/25/57/272102557.db2.gz PQFHYDLICYXHKS-VIFPVBQESA-N 0 0 304.354 0.620 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccnc1 ZINC000491805048 272105422 /nfs/dbraw/zinc/10/54/22/272105422.db2.gz FSZMNXGGQCLMGA-QWRGUYRKSA-N 0 0 322.365 0.337 10 0 DCAERN CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000494127497 272211316 /nfs/dbraw/zinc/21/13/16/272211316.db2.gz QYBSMECPSBINIM-NEPJUHHUSA-N 0 0 322.409 0.999 10 0 DCAERN COCc1nc(CN2CCN(C(C)(C)C(=O)OC)CC2)no1 ZINC000494397411 272220580 /nfs/dbraw/zinc/22/05/80/272220580.db2.gz LXDCSQRFRJIIMU-UHFFFAOYSA-N 0 0 312.370 0.285 10 0 DCAERN CNC(=O)Cc1noc(CN2CCN(c3ccccc3)CC2)n1 ZINC000494510908 272224647 /nfs/dbraw/zinc/22/46/47/272224647.db2.gz POAUTAAOHGXEAO-UHFFFAOYSA-N 0 0 315.377 0.680 10 0 DCAERN CS(=O)(=O)NCC1CCN(C(=O)NCc2ccco2)CC1 ZINC000505757299 272394123 /nfs/dbraw/zinc/39/41/23/272394123.db2.gz QSMVEWHVFOJSJU-UHFFFAOYSA-N 0 0 315.395 0.750 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)CCOCC(C)C)C1 ZINC000522203933 272548357 /nfs/dbraw/zinc/54/83/57/272548357.db2.gz MASQDYVNOPJZGF-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN CN(CCCn1c2ccccc2[nH]c1=O)Cc1nnnn1C ZINC000533346183 272804977 /nfs/dbraw/zinc/80/49/77/272804977.db2.gz ZPCWZUAEOKCOBI-UHFFFAOYSA-N 0 0 301.354 0.788 10 0 DCAERN Cn1cc(CC(=O)N2CC[C@H](NC(N)=O)C2)c2ccccc21 ZINC000534996418 287822778 /nfs/dbraw/zinc/82/27/78/287822778.db2.gz BIPPRAOEMWGLSR-LBPRGKRZSA-N 0 0 300.362 0.990 10 0 DCAERN Cn1cc(C[S@](=O)CC(=O)Nc2ccc3c(c2)OCO3)nn1 ZINC000535592206 287835361 /nfs/dbraw/zinc/83/53/61/287835361.db2.gz BWQGLBKSVZPPIL-QFIPXVFZSA-N 0 0 322.346 0.431 10 0 DCAERN C[C@@H](CN1CCOCC1)C(=O)N1CCSC[C@H]1CCO ZINC000535797422 287844481 /nfs/dbraw/zinc/84/44/81/287844481.db2.gz DOGYKEQHKWAHTM-QWHCGFSZSA-N 0 0 302.440 0.281 10 0 DCAERN CN1CCN(C)[C@@H](CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333192570 277102040 /nfs/dbraw/zinc/10/20/40/277102040.db2.gz SLZSCTXFXRUQCL-ZOBORPQBSA-N 0 0 301.456 0.340 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000408151683 277234953 /nfs/dbraw/zinc/23/49/53/277234953.db2.gz XIFUXNMXWLTKOD-TUAOUCFPSA-N 0 0 318.439 0.612 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000330291167 277280309 /nfs/dbraw/zinc/28/03/09/277280309.db2.gz CRGQEWPIEFBODR-SNVBAGLBSA-N 0 0 310.423 0.992 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000188899254 277280701 /nfs/dbraw/zinc/28/07/01/277280701.db2.gz HTRSXZDZOFINAH-SSDOTTSWSA-N 0 0 303.409 0.753 10 0 DCAERN COc1c(CNC[C@H]2CCCCS2(=O)=O)c(C)nn1C ZINC000544176140 287972013 /nfs/dbraw/zinc/97/20/13/287972013.db2.gz JGDLLPWHUHIETI-LLVKDONJSA-N 0 0 301.412 0.794 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000248874218 277876433 /nfs/dbraw/zinc/87/64/33/277876433.db2.gz DYSIOHAAUQAFLS-BYCMXARLSA-N 0 0 317.389 0.886 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC(=O)N1 ZINC000408161673 277962401 /nfs/dbraw/zinc/96/24/01/277962401.db2.gz OUUOBFZNCFDIKN-NXEZZACHSA-N 0 0 316.361 0.730 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408075300 277995372 /nfs/dbraw/zinc/99/53/72/277995372.db2.gz XSKOMQVHHSKLEW-LBPRGKRZSA-N 0 0 316.423 0.423 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000374211144 277999953 /nfs/dbraw/zinc/99/99/53/277999953.db2.gz JBUIDPVKWGKFPW-IACUBPJLSA-N 0 0 322.409 0.260 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000329618806 278008138 /nfs/dbraw/zinc/00/81/38/278008138.db2.gz GHANPIMNTYKAFI-YUELXQCFSA-N 0 0 309.410 0.176 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245758097 278063565 /nfs/dbraw/zinc/06/35/65/278063565.db2.gz DZZUSLPINJQMHE-FDYHWXHSSA-N 0 0 310.419 0.982 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](C)O ZINC000329379836 278068059 /nfs/dbraw/zinc/06/80/59/278068059.db2.gz NDPILQHHGMSLHE-PMOUVXMZSA-N 0 0 312.410 0.510 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000296415215 278068690 /nfs/dbraw/zinc/06/86/90/278068690.db2.gz XHXDWHQMNCIFCX-VHRBIJSZSA-N 0 0 304.346 0.782 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000191476060 278091238 /nfs/dbraw/zinc/09/12/38/278091238.db2.gz BNLDPYGOJIMFKO-LSDHHAIUSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H]1c2nncn2CCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408344739 278114156 /nfs/dbraw/zinc/11/41/56/278114156.db2.gz ZSRRUBFHOQWFGQ-SECBINFHSA-N 0 0 313.317 0.826 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408039278 278163790 /nfs/dbraw/zinc/16/37/90/278163790.db2.gz UPRRLQFQMSRGEO-OSMZGAPFSA-N 0 0 307.394 0.513 10 0 DCAERN Cn1ccnc1[C@@H](NC(=O)N1CC(=O)N(C)C1)c1ccccc1 ZINC000546616555 288022059 /nfs/dbraw/zinc/02/20/59/288022059.db2.gz ZPTMKYSQELYJJW-AWEZNQCLSA-N 0 0 313.361 0.951 10 0 DCAERN CC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000042784415 278221599 /nfs/dbraw/zinc/22/15/99/278221599.db2.gz QZKDRLZSJSWQPS-YBXAARCKSA-N 0 0 302.323 0.946 10 0 in-vitro DCAERN CC(=O)c1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)n(C)c1 ZINC000342723239 278243830 /nfs/dbraw/zinc/24/38/30/278243830.db2.gz ONIRFBXLOVOGIQ-JTQLQIEISA-N 0 0 312.391 0.923 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1=O ZINC000332848679 278354951 /nfs/dbraw/zinc/35/49/51/278354951.db2.gz JSTQYPQCPIUXMP-HKUMRIAESA-N 0 0 310.394 0.554 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000547438926 288045852 /nfs/dbraw/zinc/04/58/52/288045852.db2.gz LOAGSIPHKGAJNG-WDEREUQCSA-N 0 0 310.441 0.272 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000547438653 288045854 /nfs/dbraw/zinc/04/58/54/288045854.db2.gz GHILJPVXHPFPBW-UWVGGRQHSA-N 0 0 315.361 0.942 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000547449244 288047690 /nfs/dbraw/zinc/04/76/90/288047690.db2.gz SQQWJUSKFVOFHE-MGPQQGTHSA-N 0 0 301.383 0.570 10 0 DCAERN O=C(NCc1nnnn1CC1CC1)N1CCO[C@H](C2CC2)C1 ZINC000547621271 288062841 /nfs/dbraw/zinc/06/28/41/288062841.db2.gz LVMNDVKIEQQORA-LBPRGKRZSA-N 0 0 306.370 0.404 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC000547657748 288066169 /nfs/dbraw/zinc/06/61/69/288066169.db2.gz TVGZKMLQLPPOAI-CYBMUJFWSA-N 0 0 324.421 0.899 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122041813 278684173 /nfs/dbraw/zinc/68/41/73/278684173.db2.gz UAIRLUUIDQRVBC-RYUDHWBXSA-N 0 0 316.423 0.279 10 0 DCAERN O=C(N[C@@H]1CCn2ccnc2C1)N1CCSC[C@H]1CCO ZINC000547680009 288068154 /nfs/dbraw/zinc/06/81/54/288068154.db2.gz UNUSYCPVBJKDEW-VXGBXAGGSA-N 0 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/nfs/dbraw/zinc/17/64/53/288176453.db2.gz IFFJWVFCLCJJQX-CQSZACIVSA-N 0 0 314.345 0.721 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cn1 ZINC000548829169 288180444 /nfs/dbraw/zinc/18/04/44/288180444.db2.gz UXCGEUZMMHHJKC-GFCCVEGCSA-N 0 0 321.358 0.444 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)c1ccc2c(c1)NC(=O)CS2 ZINC000070161570 279948683 /nfs/dbraw/zinc/94/86/83/279948683.db2.gz DAFYLOGHYUNILG-VIFPVBQESA-N 0 0 305.359 0.739 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CNC(=O)C1 ZINC000408120456 279979864 /nfs/dbraw/zinc/97/98/64/279979864.db2.gz WNWCHBNNQIZMBI-ONGXEEELSA-N 0 0 308.359 0.157 10 0 DCAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)NCC(=O)N(C)C ZINC000125258888 279993115 /nfs/dbraw/zinc/99/31/15/279993115.db2.gz HBWQDBBRHMMWJX-FRRDWIJNSA-N 0 0 311.426 0.768 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@H](CO)C1CCOCC1 ZINC000549062406 288191191 /nfs/dbraw/zinc/19/11/91/288191191.db2.gz GGZDYMUCUAPZEW-DZGCQCFKSA-N 0 0 322.409 0.884 10 0 DCAERN 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QQTWPSDDAQFJPS-LBPRGKRZSA-N 0 0 313.361 0.965 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)NCCCC3CC3)CC2)C1=O ZINC000552978085 288283195 /nfs/dbraw/zinc/28/31/95/288283195.db2.gz AFSDZSUKPMONDE-UHFFFAOYSA-N 0 0 308.382 0.902 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000553101016 288287208 /nfs/dbraw/zinc/28/72/08/288287208.db2.gz LHCWJUWGZMKFCJ-HAQNSBGRSA-N 0 0 316.361 0.940 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)[nH]n1 ZINC000554343748 288318715 /nfs/dbraw/zinc/31/87/15/288318715.db2.gz OFLPJDVBUHBYCE-CYZMBNFOSA-N 0 0 322.409 0.385 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(c3cnn(C)c3)CC2)cn1 ZINC000554529372 288326588 /nfs/dbraw/zinc/32/65/88/288326588.db2.gz CDYSDITXNYCVPG-UHFFFAOYSA-N 0 0 303.366 0.939 10 0 DCAERN CC(C)NC(=O)c1nnc(N2CCC[C@]3(CNC(=O)C3)C2)n1C ZINC000554614311 288333603 /nfs/dbraw/zinc/33/36/03/288333603.db2.gz XAYMKERYDDHVKX-HNNXBMFYSA-N 0 0 320.397 0.060 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1=O ZINC000555556465 288355163 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288552797 /nfs/dbraw/zinc/55/27/97/288552797.db2.gz JCTVGMBGTCGSTA-UHFFFAOYSA-N 0 0 306.391 0.847 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1O ZINC000561964591 288554378 /nfs/dbraw/zinc/55/43/78/288554378.db2.gz ZKDKCAHSTAOBQR-UHFFFAOYSA-N 0 0 319.317 0.864 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000564574776 288751566 /nfs/dbraw/zinc/75/15/66/288751566.db2.gz JLRQBGBWCMHDCH-WYUUTHIRSA-N 0 0 301.387 0.345 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000124683078 288961037 /nfs/dbraw/zinc/96/10/37/288961037.db2.gz QSTHYFPBJVJOOY-IUCAKERBSA-N 0 0 323.315 0.428 10 0 DCAERN CN(C)C[C@H]1CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018297 289210306 /nfs/dbraw/zinc/21/03/06/289210306.db2.gz QJOMRUMTKKGVHM-NEPJUHHUSA-N 0 0 303.428 0.251 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000408272829 289228260 /nfs/dbraw/zinc/22/82/60/289228260.db2.gz JTQOHPYMQCVWMT-SNVBAGLBSA-N 0 0 316.383 0.405 10 0 DCAERN 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/nfs/dbraw/zinc/05/81/81/297058181.db2.gz WPMZEXSFFXXCHW-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000123260759 294354374 /nfs/dbraw/zinc/35/43/74/294354374.db2.gz XOQULHSXUIKQRN-XHDPSFHLSA-N 0 0 306.366 0.512 10 0 DCAERN CO[C@]1(C)CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408059186 294820722 /nfs/dbraw/zinc/82/07/22/294820722.db2.gz PQQVROYXHNVUKC-HZPDHXFCSA-N 0 0 312.410 0.777 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000180214678 295119863 /nfs/dbraw/zinc/11/98/63/295119863.db2.gz PDVBTUABIZXQIR-JTQLQIEISA-N 0 0 304.680 0.945 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000301464818 295171825 /nfs/dbraw/zinc/17/18/25/295171825.db2.gz GVYLCVKRHMICPW-VIFPVBQESA-N 0 0 311.773 0.140 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H]1O ZINC000408366508 299939019 /nfs/dbraw/zinc/93/90/19/299939019.db2.gz PEKKJZZNAAJCSS-UMSGYPCISA-N 0 0 318.439 0.755 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)C1 ZINC000408030458 297361540 /nfs/dbraw/zinc/36/15/40/297361540.db2.gz KZCJRVFRUYGBSN-YTWAJWBKSA-N 0 0 307.391 0.107 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@]2(CCOC2)C1 ZINC000375109617 298119548 /nfs/dbraw/zinc/11/95/48/298119548.db2.gz FNWWBNKDQMABCF-IAQYHMDHSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H](S(C)(=O)=O)C1)N1CCCCC1=O ZINC000407962756 298295411 /nfs/dbraw/zinc/29/54/11/298295411.db2.gz DPINHGOGAKUNNL-VXGBXAGGSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)CC2(C)CCCCC2)[C@@H]1C(N)=O ZINC000408031341 300600443 /nfs/dbraw/zinc/60/04/43/300600443.db2.gz MIBHNZVOVMBKCY-NEPJUHHUSA-N 0 0 318.439 0.861 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000183352289 301292090 /nfs/dbraw/zinc/29/20/90/301292090.db2.gz UKMZESANGPVJII-JTQLQIEISA-N 0 0 318.782 0.523 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCNC[C@H]2c2nccn2C)o1 ZINC000261972614 301673670 /nfs/dbraw/zinc/67/36/70/301673670.db2.gz IJOSURVYTKFKGW-NSHDSACASA-N 0 0 310.379 0.657 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)o1 ZINC000408096916 301679062 /nfs/dbraw/zinc/67/90/62/301679062.db2.gz HFBKBRGRHXJGLN-VHSXEESVSA-N 0 0 307.393 0.784 10 0 DCAERN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000368119408 302211531 /nfs/dbraw/zinc/21/15/31/302211531.db2.gz KOPKLQLLDFYWJE-FZMZJTMJSA-N 0 0 301.346 0.131 10 0 DCAERN Cc1nnc([C@H]2COCCN2C(=O)c2c[nH]cc(C)c2=O)o1 ZINC000408386176 302824595 /nfs/dbraw/zinc/82/45/95/302824595.db2.gz NZUDSIBGWQLCKH-LLVKDONJSA-N 0 0 304.306 0.588 10 0 DCAERN Cn1c2c(nc1[C@@H]1CCCN1CC(=O)NC(N)=O)CCCC2 ZINC000276024269 302899695 /nfs/dbraw/zinc/89/96/95/302899695.db2.gz QVYJHTSUAXEKPO-LBPRGKRZSA-N 0 0 305.382 0.631 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2n[nH]c3c2CCCC3)cn1 ZINC000181339059 302936967 /nfs/dbraw/zinc/93/69/67/302936967.db2.gz BVSIWMWRCJFPRN-CQSZACIVSA-N 0 0 314.393 0.809 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000373326632 302983744 /nfs/dbraw/zinc/98/37/44/302983744.db2.gz UOWLNGBKWMBFEZ-TZMCWYRMSA-N 0 0 305.378 0.793 10 0 DCAERN NC(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190860474 303246435 /nfs/dbraw/zinc/24/64/35/303246435.db2.gz BEUHUFRGINSYSS-GFCCVEGCSA-N 0 0 322.340 0.101 10 0 DCAERN NC(=O)N[C@H]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024688 303281397 /nfs/dbraw/zinc/28/13/97/303281397.db2.gz FZWOIDMYARNXQI-DTWKUNHWSA-N 0 0 308.304 0.282 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000123858436 303291755 /nfs/dbraw/zinc/29/17/55/303291755.db2.gz RNHPMLUHCWLORF-CHWSQXEVSA-N 0 0 324.425 0.732 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408349632 303352439 /nfs/dbraw/zinc/35/24/39/303352439.db2.gz LCTGGFLDYXACDA-ZUZCIYMTSA-N 0 0 304.350 0.343 10 0 DCAERN C[C@H]1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CCO1 ZINC000332809948 332876004 /nfs/dbraw/zinc/87/60/04/332876004.db2.gz IVJOFJORGRWXPC-STQMWFEESA-N 0 0 316.467 0.761 10 0 DCAERN O=C(N[C@H]1CNC(=O)C1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000332846303 332884772 /nfs/dbraw/zinc/88/47/72/332884772.db2.gz RMQUCKLZGZYWQV-MNOVXSKESA-N 0 0 311.407 0.083 10 0 DCAERN NC(=O)c1ccc(C(=O)NCc2ccc(CO)c(F)c2)nc1 ZINC000170855208 332888977 /nfs/dbraw/zinc/88/89/77/332888977.db2.gz BEHMQGSTSCOVMY-UHFFFAOYSA-N 0 0 303.293 0.742 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@]2(C)CCO[C@@H]2C)nn1 ZINC000332902911 332901451 /nfs/dbraw/zinc/90/14/51/332901451.db2.gz SNCIQZBXFRQYHJ-LHMODEAPSA-N 0 0 310.354 0.162 10 0 DCAERN CC1(C)[C@H](NC(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1O ZINC000189025336 333061257 /nfs/dbraw/zinc/06/12/57/333061257.db2.gz URHRNMKYSPMLJB-MNOVXSKESA-N 0 0 302.338 0.943 10 0 DCAERN C[C@@H](NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)C(=O)N(C)C ZINC000583479562 333367392 /nfs/dbraw/zinc/36/73/92/333367392.db2.gz DNBHHUPYFSMHKB-VXNVDRBHSA-N 0 0 321.303 0.799 10 0 DCAERN CCN1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000190595032 336264084 /nfs/dbraw/zinc/26/40/84/336264084.db2.gz HQJRHNXVUDHXPM-UHFFFAOYSA-N 0 0 312.329 0.494 10 0 DCAERN C[C@@]1(CCCC(=O)NCCOCC2CCC2)NC(=O)NC1=O ZINC000582639756 337113888 /nfs/dbraw/zinc/11/38/88/337113888.db2.gz GJRZWYRNHIAYIG-HNNXBMFYSA-N 0 0 311.382 0.688 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)c(C)s1 ZINC000396941090 337242667 /nfs/dbraw/zinc/24/26/67/337242667.db2.gz SYSSKBJPOHXMNS-GHMZBOCLSA-N 0 0 305.421 0.729 10 0 DCAERN CC(C)[C@@](C)(CO)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000398490343 337311524 /nfs/dbraw/zinc/31/15/24/337311524.db2.gz BXOARFYFNUKEGF-WCQYABFASA-N 0 0 306.428 0.181 10 0 DCAERN CC(=O)N1CC(c2cc(I)n(C)n2)C1 ZINC000584613551 337372566 /nfs/dbraw/zinc/37/25/66/337372566.db2.gz SUFCGDLHXPQXKO-UHFFFAOYSA-N 0 0 305.119 0.970 10 0 DCAERN Cn1cnc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)c1 ZINC000584633644 337377595 /nfs/dbraw/zinc/37/75/95/337377595.db2.gz FBVFKXHQVVHSQR-NWDGAFQWSA-N 0 0 322.390 0.212 10 0 DCAERN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000332989832 338545799 /nfs/dbraw/zinc/54/57/99/338545799.db2.gz JEKWGMHCZQNTLS-AAEUAGOBSA-N 0 0 318.377 0.770 10 0 DCAERN Cn1nc(C2CC2)nc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000576751578 341861510 /nfs/dbraw/zinc/86/15/10/341861510.db2.gz UKPMJFDKEUAGFV-ZDUSSCGKSA-N 0 0 302.382 0.790 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000192671038 341880545 /nfs/dbraw/zinc/88/05/45/341880545.db2.gz HRDGYAIQAAOEMV-OCCSQVGLSA-N 0 0 308.378 0.994 10 0 DCAERN CCCS(=O)(=O)N1CCC(N2C(=O)N[C@H](CC)C2=O)CC1 ZINC000348820872 341957868 /nfs/dbraw/zinc/95/78/68/341957868.db2.gz OWULTTXEKVMBQM-LLVKDONJSA-N 0 0 317.411 0.521 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@@H](C)C[S@](C)=O)CC2)n[nH]1 ZINC000186832134 533897891 /nfs/dbraw/zinc/89/78/91/533897891.db2.gz TUSHFFZZSCYESG-MQJDWESPSA-N 0 0 313.427 0.317 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)C[C@H](C)O1 ZINC000162439075 533966737 /nfs/dbraw/zinc/96/67/37/533966737.db2.gz CQMFUZMKFUSEMN-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCN1CCO ZINC000187702819 533976115 /nfs/dbraw/zinc/97/61/15/533976115.db2.gz UZCCGOLGHKECNQ-WDEREUQCSA-N 0 0 309.332 0.148 10 0 DCAERN NC(=O)COCCNS(=O)(=O)c1cccc2ccccc21 ZINC000156026310 534332920 /nfs/dbraw/zinc/33/29/20/534332920.db2.gz IADVMJWNYGVNEV-UHFFFAOYSA-N 0 0 308.359 0.620 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2ccc3occc3c2=O)C1 ZINC000172925083 518197033 /nfs/dbraw/zinc/19/70/33/518197033.db2.gz PCVHFDHRGRIMOG-SNVBAGLBSA-N 0 0 303.318 0.318 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173127022 534348932 /nfs/dbraw/zinc/34/89/32/534348932.db2.gz OSQGVTAPVPFLTH-UWVGGRQHSA-N 0 0 317.411 0.778 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000159080040 518988680 /nfs/dbraw/zinc/98/86/80/518988680.db2.gz LGBHTRSMVNJJET-NRFANRHFSA-N 0 0 312.395 0.849 10 0 DCAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2CCC[C@@H]2CO)s1 ZINC000189930953 519123551 /nfs/dbraw/zinc/12/35/51/519123551.db2.gz AOGAFFPQWJGSAP-MRVPVSSYSA-N 0 0 312.395 0.757 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)NC(=O)NCc2ccco2)c1=O ZINC000155730027 519177655 /nfs/dbraw/zinc/17/76/55/519177655.db2.gz WNGNODOKECWILY-UHFFFAOYSA-N 0 0 321.337 0.419 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H](O)C(C)C)c1 ZINC000266925694 519452740 /nfs/dbraw/zinc/45/27/40/519452740.db2.gz ZMQCHCJKVUXRDQ-AWEZNQCLSA-N 0 0 321.377 0.741 10 0 DCAERN CC(=O)NC1CN(C(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000191500798 519647419 /nfs/dbraw/zinc/64/74/19/519647419.db2.gz CLRLKUXCDLKBHN-UHFFFAOYSA-N 0 0 311.288 0.042 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C1 ZINC000190612192 519648992 /nfs/dbraw/zinc/64/89/92/519648992.db2.gz XBYKNFQGMFSDCD-UHFFFAOYSA-N 0 0 317.320 0.936 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000191495028 519649030 /nfs/dbraw/zinc/64/90/30/519649030.db2.gz KRASVJRFNMRRKJ-CQSZACIVSA-N 0 0 305.309 0.666 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111796601 519664854 /nfs/dbraw/zinc/66/48/54/519664854.db2.gz URZMOOSNSJZHIC-CQSZACIVSA-N 0 0 323.397 0.046 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000186068107 519676180 /nfs/dbraw/zinc/67/61/80/519676180.db2.gz KKKHEIPXJGOUFV-QGZVFWFLSA-N 0 0 318.373 0.954 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000154745049 519695243 /nfs/dbraw/zinc/69/52/43/519695243.db2.gz QAZCEOUXWHCOHK-ZFWWWQNUSA-N 0 0 301.431 0.803 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000245818665 519737227 /nfs/dbraw/zinc/73/72/27/519737227.db2.gz KTSYGNDYWXDPAA-QWHCGFSZSA-N 0 0 322.413 0.785 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCN(c2cccnn2)CC1 ZINC000119744562 519786666 /nfs/dbraw/zinc/78/66/66/519786666.db2.gz HCXARLAZGZEISX-UHFFFAOYSA-N 0 0 312.439 0.812 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000157029664 519823269 /nfs/dbraw/zinc/82/32/69/519823269.db2.gz RFIOSKPCPLXKPD-CYBMUJFWSA-N 0 0 317.349 0.339 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190741867 519884528 /nfs/dbraw/zinc/88/45/28/519884528.db2.gz GMTSFZDUVKIOIJ-CYBMUJFWSA-N 0 0 323.397 0.512 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N(CCCCO)C2CC2)c1 ZINC000178801017 534500271 /nfs/dbraw/zinc/50/02/71/534500271.db2.gz FIPIXQOPKYTBDF-UHFFFAOYSA-N 0 0 312.391 0.711 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000188010330 534518935 /nfs/dbraw/zinc/51/89/35/534518935.db2.gz JAJKDCPDSMKTMH-KGLIPLIRSA-N 0 0 315.329 0.836 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)CNC(=O)c1cccnc1 ZINC000189843479 520947441 /nfs/dbraw/zinc/94/74/41/520947441.db2.gz IOZTVAOHEZDHAA-INIZCTEOSA-N 0 0 318.377 0.329 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000159311934 521525841 /nfs/dbraw/zinc/52/58/41/521525841.db2.gz SZPCWTJZEWORGW-UHFFFAOYSA-N 0 0 306.366 0.138 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)CNC(=O)c1cccnc1 ZINC000124597261 521732103 /nfs/dbraw/zinc/73/21/03/521732103.db2.gz QAZZNCHLJNZADV-UHFFFAOYSA-N 0 0 306.366 0.090 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000189948215 522125000 /nfs/dbraw/zinc/12/50/00/522125000.db2.gz ZCOFNGNSMQENDU-ZFWWWQNUSA-N 0 0 322.409 0.322 10 0 DCAERN COc1cc(C)c(C(=O)NC2(C(N)=O)CCOCC2)cc1OC ZINC000368428621 522185404 /nfs/dbraw/zinc/18/54/04/522185404.db2.gz HGHKHVQQZXPTHX-UHFFFAOYSA-N 0 0 322.361 0.777 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000131260750 522205574 /nfs/dbraw/zinc/20/55/74/522205574.db2.gz WSBLZXXGFOLFLY-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN COC(=O)c1cn([C@@H]2CCCN(C(=O)C3=COCCC3)C2)nn1 ZINC000364031430 522324452 /nfs/dbraw/zinc/32/44/52/522324452.db2.gz QCUNBHNIMYNGNQ-GFCCVEGCSA-N 0 0 320.349 0.923 10 0 DCAERN COC[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000245421725 522370404 /nfs/dbraw/zinc/37/04/04/522370404.db2.gz OEMFFZWFILKLLX-GRYCIOLGSA-N 0 0 318.395 0.911 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cccc(C(=O)NC)c2)CC1 ZINC000131476092 522555758 /nfs/dbraw/zinc/55/57/58/522555758.db2.gz ZBNVHBOETMXKFT-HNNXBMFYSA-N 0 0 319.405 0.575 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H](C)OC)ncn1 ZINC000190633396 522571622 /nfs/dbraw/zinc/57/16/22/522571622.db2.gz HONINXOORGJOKG-RYUDHWBXSA-N 0 0 322.413 0.821 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000189141765 522595286 /nfs/dbraw/zinc/59/52/86/522595286.db2.gz KOBDKTSCPPNLNG-UHFFFAOYSA-N 0 0 312.316 0.926 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000180225248 534652157 /nfs/dbraw/zinc/65/21/57/534652157.db2.gz IFBKXDHQPJNHMC-UHFFFAOYSA-N 0 0 311.407 0.194 10 0 DCAERN COC[C@H](O)CCNC(=O)NCc1cccnc1-n1ccnc1 ZINC000131516890 522775060 /nfs/dbraw/zinc/77/50/60/522775060.db2.gz AXSGUWIUGJXMIY-CYBMUJFWSA-N 0 0 319.365 0.464 10 0 DCAERN CCc1nnc(S[C@@H]2CCN(c3cc(C)nn3C)C2=O)n1N ZINC000121700190 522785573 /nfs/dbraw/zinc/78/55/73/522785573.db2.gz SIXGNDDFTZIKIW-SECBINFHSA-N 0 0 321.410 0.494 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157469725 522884511 /nfs/dbraw/zinc/88/45/11/522884511.db2.gz GGMBSEVVTOBUQT-RNCFNFMXSA-N 0 0 309.366 0.443 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)ccc1F ZINC000190857378 522897415 /nfs/dbraw/zinc/89/74/15/522897415.db2.gz IVRURJWPFJLRAL-ASCAZGACSA-N 0 0 309.384 0.880 10 0 DCAERN CCc1noc2ncc(C(=O)N3C[C@@H](C)O[C@H](C(N)=O)C3)cc12 ZINC000157367717 522923739 /nfs/dbraw/zinc/92/37/39/522923739.db2.gz BRPSIFDNGATOGZ-PELKAZGASA-N 0 0 318.333 0.500 10 0 DCAERN COCCC1(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000188719278 523057653 /nfs/dbraw/zinc/05/76/53/523057653.db2.gz UAGJPHTXVIXXPM-UHFFFAOYSA-N 0 0 302.334 0.865 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000130892554 523405724 /nfs/dbraw/zinc/40/57/24/523405724.db2.gz CXMXHCNVMQUSOL-NSHDSACASA-N 0 0 320.271 0.367 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)Nc3nncs3)CCO2)cn1 ZINC000190829550 523465810 /nfs/dbraw/zinc/46/58/10/523465810.db2.gz PDAGUZNBCSEKQO-NSHDSACASA-N 0 0 322.394 0.767 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)NCCC(=O)N(C)C)CCO2)cn1 ZINC000191146481 523479809 /nfs/dbraw/zinc/47/98/09/523479809.db2.gz SDFXKWCMFFYXKC-CYBMUJFWSA-N 0 0 323.397 0.464 10 0 DCAERN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060107 523504474 /nfs/dbraw/zinc/50/44/74/523504474.db2.gz SNWVEYORZIMGRB-ZETCQYMHSA-N 0 0 309.775 0.503 10 0 DCAERN CN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@H]1CCCc2c1cnn2C ZINC000154824956 523808148 /nfs/dbraw/zinc/80/81/48/523808148.db2.gz HYAWRGZYHSGHGQ-QWRGUYRKSA-N 0 0 319.365 0.244 10 0 DCAERN CN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@@H]1CCCc2c1cnn2C ZINC000154824622 523808423 /nfs/dbraw/zinc/80/84/23/523808423.db2.gz HYAWRGZYHSGHGQ-GHMZBOCLSA-N 0 0 319.365 0.244 10 0 DCAERN Cn1cc(Cl)cc1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328620946 534736693 /nfs/dbraw/zinc/73/66/93/534736693.db2.gz HLNNSGGOUGSOOB-UHFFFAOYSA-N 0 0 306.753 0.971 10 0 DCAERN COCCN1CCN(C(=O)CCCc2nc(C)no2)C[C@@H]1C ZINC000117292745 523839407 /nfs/dbraw/zinc/83/94/07/523839407.db2.gz YLNZRVXOXGVSHB-LBPRGKRZSA-N 0 0 310.398 0.880 10 0 DCAERN CO[C@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000190640822 523883274 /nfs/dbraw/zinc/88/32/74/523883274.db2.gz QISFLZNMYHDUBL-NEPJUHHUSA-N 0 0 323.397 0.558 10 0 DCAERN COCCN1C[C@H](C(=O)NCc2cc(F)ccc2OC)CC1=O ZINC000189413285 523886391 /nfs/dbraw/zinc/88/63/91/523886391.db2.gz IADUKQKXLUEQAB-GFCCVEGCSA-N 0 0 324.352 0.945 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCO[C@H](c3nccs3)C2)C1=O ZINC000163824312 523965231 /nfs/dbraw/zinc/96/52/31/523965231.db2.gz XWSUGSFQQQZBFH-ZJUUUORDSA-N 0 0 310.379 0.457 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000130088532 523984620 /nfs/dbraw/zinc/98/46/20/523984620.db2.gz VKHRAJSYAKQAAW-ZDUSSCGKSA-N 0 0 305.382 0.535 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000124341557 523989664 /nfs/dbraw/zinc/98/96/64/523989664.db2.gz CIDWCGZKKIYYLT-CYBMUJFWSA-N 0 0 303.362 0.385 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)CCC1=O ZINC000119853251 524011074 /nfs/dbraw/zinc/01/10/74/524011074.db2.gz QTMDQUORZWTHIU-XJKSGUPXSA-N 0 0 323.368 0.953 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)N1CCOCC1 ZINC000188465268 524447585 /nfs/dbraw/zinc/44/75/85/524447585.db2.gz FFSQIQDIIBURPR-IUODEOHRSA-N 0 0 318.377 0.412 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)N1CCOCC1 ZINC000188465242 524704251 /nfs/dbraw/zinc/70/42/51/524704251.db2.gz FFSQIQDIIBURPR-SWLSCSKDSA-N 0 0 318.377 0.412 10 0 DCAERN O=C(NCC1(CCO)CC1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000187088124 534807041 /nfs/dbraw/zinc/80/70/41/534807041.db2.gz SDFPVHSQKSTEDO-VIFPVBQESA-N 0 0 323.315 0.611 10 0 DCAERN Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000157783685 524844786 /nfs/dbraw/zinc/84/47/86/524844786.db2.gz JIBZACQBMAMEPE-RYUDHWBXSA-N 0 0 302.334 0.652 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187919579 524880449 /nfs/dbraw/zinc/88/04/49/524880449.db2.gz PDBDSBQGXMCBJX-UHFFFAOYSA-N 0 0 316.404 0.656 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000124423532 524882146 /nfs/dbraw/zinc/88/21/46/524882146.db2.gz FBMVBEXWAXYCMZ-QMMMGPOBSA-N 0 0 313.304 0.346 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000157299598 524887593 /nfs/dbraw/zinc/88/75/93/524887593.db2.gz BQMJJPMQRCYTBQ-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1Cl ZINC000133795686 524996098 /nfs/dbraw/zinc/99/60/98/524996098.db2.gz RWUCNLJRYHPBCG-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000267689787 525067098 /nfs/dbraw/zinc/06/70/98/525067098.db2.gz GGJOCIMJRWIACJ-ZYHUDNBSSA-N 0 0 305.382 0.924 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000156744812 525124826 /nfs/dbraw/zinc/12/48/26/525124826.db2.gz DGGFZRLSWBLIKA-XHDPSFHLSA-N 0 0 304.346 0.214 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1CO ZINC000366518433 525232586 /nfs/dbraw/zinc/23/25/86/525232586.db2.gz IMDSLMNGAKSQBI-IJLUTSLNSA-N 0 0 304.412 0.509 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130477378 525447749 /nfs/dbraw/zinc/44/77/49/525447749.db2.gz YXCJKQJIGGVQNQ-AOOOYVTPSA-N 0 0 304.350 0.509 10 0 DCAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CN2CCOCC2=O)C1 ZINC000365677517 525465593 /nfs/dbraw/zinc/46/55/93/525465593.db2.gz ZSDCBQIKOHYNBA-TZMCWYRMSA-N 0 0 303.362 0.850 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000364252284 525697798 /nfs/dbraw/zinc/69/77/98/525697798.db2.gz VKUPKGYOVHQZRQ-QFYYESIMSA-N 0 0 323.393 0.326 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000190002192 525750096 /nfs/dbraw/zinc/75/00/96/525750096.db2.gz SBXBIIYCONCFKK-SECBINFHSA-N 0 0 304.350 0.845 10 0 DCAERN COc1cccc(C(=O)NCC(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000188626209 525814630 /nfs/dbraw/zinc/81/46/30/525814630.db2.gz KLYKUSYAAHAYTJ-NSHDSACASA-N 0 0 304.346 0.863 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O ZINC000126917909 525889213 /nfs/dbraw/zinc/88/92/13/525889213.db2.gz LIEREUMCGQHWNJ-ZWNOBZJWSA-N 0 0 321.402 0.625 10 0 DCAERN C[C@@]1(c2cccnc2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000158501185 525905011 /nfs/dbraw/zinc/90/50/11/525905011.db2.gz SFZPSDGSZUDQIW-KCJUWKMLSA-N 0 0 303.240 0.772 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)[C@H]3COCCN3)C2)c1 ZINC000246258348 526143967 /nfs/dbraw/zinc/14/39/67/526143967.db2.gz KOQXAXKYVZFTLE-CZUORRHYSA-N 0 0 319.405 0.769 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc(Cl)n1 ZINC000127316854 526260280 /nfs/dbraw/zinc/26/02/80/526260280.db2.gz ZYFUGBBTSLCOPS-JTQLQIEISA-N 0 0 317.798 0.807 10 0 DCAERN CC(=O)N1CC(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)C1 ZINC000188253182 526512837 /nfs/dbraw/zinc/51/28/37/526512837.db2.gz GZAHTISHFCEWNK-KBPBESRZSA-N 0 0 312.435 0.978 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000156896223 526562282 /nfs/dbraw/zinc/56/22/82/526562282.db2.gz NDDATHDSBDRJJH-PWSUYJOCSA-N 0 0 308.300 0.771 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000331002109 526679892 /nfs/dbraw/zinc/67/98/92/526679892.db2.gz QYUIESPYQADKIW-ONGXEEELSA-N 0 0 302.396 0.706 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000128277523 526721217 /nfs/dbraw/zinc/72/12/17/526721217.db2.gz RGMCKHBMLXCCHQ-CYBMUJFWSA-N 0 0 301.346 0.629 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000188722657 526854079 /nfs/dbraw/zinc/85/40/79/526854079.db2.gz XJDMHKMCGOIEPM-IVZWLZJFSA-N 0 0 323.299 0.815 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCC(=O)Nc1ccccc1 ZINC000156078939 526867083 /nfs/dbraw/zinc/86/70/83/526867083.db2.gz SZSJLLAYVDSFTH-UHFFFAOYSA-N 0 0 312.329 0.566 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000158477413 526888259 /nfs/dbraw/zinc/88/82/59/526888259.db2.gz ORZFPVONGGCJQU-VIFPVBQESA-N 0 0 306.240 0.204 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@]1(O)CCSC1 ZINC000270785582 527027527 /nfs/dbraw/zinc/02/75/27/527027527.db2.gz KOKRNFPSDABEQD-SMDDNHRTSA-N 0 0 308.407 0.430 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000364948925 527055378 /nfs/dbraw/zinc/05/53/78/527055378.db2.gz YNQDFFYURVUTRV-LLVKDONJSA-N 0 0 322.340 0.473 10 0 DCAERN Cn1c(CO)nnc1SCC(=O)N1CCc2ccccc21 ZINC000119417281 527063550 /nfs/dbraw/zinc/06/35/50/527063550.db2.gz MNVQSGSKWGKING-UHFFFAOYSA-N 0 0 304.375 0.989 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ncn(-c2ccccc2)n1 ZINC000156782508 527072495 /nfs/dbraw/zinc/07/24/95/527072495.db2.gz SYILOYLJIBEETM-NSHDSACASA-N 0 0 309.333 0.604 10 0 DCAERN O=S(=O)(CC1CC1)NCc1ccc(N2CCOCC2)nc1 ZINC000267178235 527165276 /nfs/dbraw/zinc/16/52/76/527165276.db2.gz JOAWXHAYZVEFNF-UHFFFAOYSA-N 0 0 311.407 0.748 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000364286781 527188341 /nfs/dbraw/zinc/18/83/41/527188341.db2.gz DVPFHBUUMKSUBJ-ZYHUDNBSSA-N 0 0 305.382 0.796 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](C)[C@H](C)CO ZINC000131073466 527201137 /nfs/dbraw/zinc/20/11/37/527201137.db2.gz YJWVQEMLZLTVMH-RKDXNWHRSA-N 0 0 320.397 0.389 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](O)C(C)C ZINC000134217613 527201268 /nfs/dbraw/zinc/20/12/68/527201268.db2.gz AGQCSLJILYMKHZ-GFCCVEGCSA-N 0 0 320.397 0.389 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979298 527419109 /nfs/dbraw/zinc/41/91/09/527419109.db2.gz OLLSTXPAKIWNMI-UHFFFAOYSA-N 0 0 305.309 0.501 10 0 DCAERN Cc1nccnc1[C@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205201 527457706 /nfs/dbraw/zinc/45/77/06/527457706.db2.gz STKWGQSTOKRFCL-WCQYABFASA-N 0 0 300.366 0.975 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000178129548 527475337 /nfs/dbraw/zinc/47/53/37/527475337.db2.gz BMPQOFBBEPOYAV-DGCLKSJQSA-N 0 0 307.394 0.513 10 0 DCAERN O=C(NC1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1)C1CC1 ZINC000189432229 527541599 /nfs/dbraw/zinc/54/15/99/527541599.db2.gz JALMXRBICMBEGW-CQSZACIVSA-N 0 0 314.341 0.505 10 0 DCAERN Cn1nccc1NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000154951168 527618459 /nfs/dbraw/zinc/61/84/59/527618459.db2.gz QAKLDFBAWPPMDQ-LBPRGKRZSA-N 0 0 321.381 0.523 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408396925 527710654 /nfs/dbraw/zinc/71/06/54/527710654.db2.gz RXMZMQZWAKJSRT-NSHDSACASA-N 0 0 306.428 0.470 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178898093 527714013 /nfs/dbraw/zinc/71/40/13/527714013.db2.gz RCSAUJITMSSMIO-GFCCVEGCSA-N 0 0 323.397 0.509 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000158310869 528130422 /nfs/dbraw/zinc/13/04/22/528130422.db2.gz JSSFTFQHRROAGN-LBPRGKRZSA-N 0 0 318.443 0.310 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177527644 528309245 /nfs/dbraw/zinc/30/92/45/528309245.db2.gz KGVSENXSPCICSF-VXGBXAGGSA-N 0 0 305.382 0.878 10 0 DCAERN CCOc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncn1 ZINC000299741866 528313681 /nfs/dbraw/zinc/31/36/81/528313681.db2.gz HIZUPUAAMHTENI-NEPJUHHUSA-N 0 0 324.356 0.651 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000153331382 528616692 /nfs/dbraw/zinc/61/66/92/528616692.db2.gz MUADUVYBYWFOME-SNVBAGLBSA-N 0 0 300.384 0.363 10 0 DCAERN CC[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCC1=O ZINC000174028123 529278174 /nfs/dbraw/zinc/27/81/74/529278174.db2.gz JMERRVBUUCCELX-MNOVXSKESA-N 0 0 302.396 0.033 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H](C)[C@H](C)OC)CC12COC2 ZINC000454967760 535668487 /nfs/dbraw/zinc/66/84/87/535668487.db2.gz KLVRFMZOAIHNTQ-GRYCIOLGSA-N 0 0 314.382 0.631 10 0 DCAERN CCc1nnsc1C(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284509319 535865019 /nfs/dbraw/zinc/86/50/19/535865019.db2.gz DDCPFZIXNXDBCW-JTQLQIEISA-N 0 0 322.394 0.921 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000457669202 536882551 /nfs/dbraw/zinc/88/25/51/536882551.db2.gz SQSGQARFZHSUJF-OAHLLOKOSA-N 0 0 317.389 0.511 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N3CCSCC3)CC2)n1 ZINC000285344971 537115795 /nfs/dbraw/zinc/11/57/95/537115795.db2.gz YTELRCWDJSECDG-UHFFFAOYSA-N 0 0 323.422 0.776 10 0 DCAERN CN(Cc1ccc(Br)o1)C(=O)[C@H](N)CC(N)=O ZINC000037819874 545648273 /nfs/dbraw/zinc/64/82/73/545648273.db2.gz XKAPICCMDIWRBY-SSDOTTSWSA-N 0 0 304.144 0.203 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000081471647 545693844 /nfs/dbraw/zinc/69/38/44/545693844.db2.gz XOEHXSPFQLAKLP-LLVKDONJSA-N 0 0 309.288 0.221 10 0 DCAERN Cc1oc(C(=O)NCC[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000087899056 545710159 /nfs/dbraw/zinc/71/01/59/545710159.db2.gz VQNCDIQNECMQOB-VIFPVBQESA-N 0 0 302.352 0.534 10 0 DCAERN CC[C@@H]1C(=O)NCCN1c1cncc(-n2nc(C)cc2C)n1 ZINC000092666526 545723830 /nfs/dbraw/zinc/72/38/30/545723830.db2.gz JTSIIAUIBYISLC-GFCCVEGCSA-N 0 0 300.366 0.994 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCn1cccn1 ZINC000122547501 545751860 /nfs/dbraw/zinc/75/18/60/545751860.db2.gz KPJFNKOMCYRGMI-LLVKDONJSA-N 0 0 303.370 0.871 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(CO)CC1 ZINC000125411470 545762152 /nfs/dbraw/zinc/76/21/52/545762152.db2.gz ZOIJVPBEEFEDCS-NSHDSACASA-N 0 0 304.412 0.079 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(CO)CC1 ZINC000125411223 545762520 /nfs/dbraw/zinc/76/25/20/545762520.db2.gz ZOIJVPBEEFEDCS-LLVKDONJSA-N 0 0 304.412 0.079 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n(C)n1 ZINC000128346434 545780966 /nfs/dbraw/zinc/78/09/66/545780966.db2.gz PBYVCQHAQVAZGM-LLVKDONJSA-N 0 0 321.381 0.494 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(Cc2cncnc2)CC1 ZINC000129213968 545781704 /nfs/dbraw/zinc/78/17/04/545781704.db2.gz OEZBWVAQZPVXDG-UHFFFAOYSA-N 0 0 305.426 0.853 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000150944883 545813198 /nfs/dbraw/zinc/81/31/98/545813198.db2.gz CTLHGYXVKTWOGC-UHFFFAOYSA-N 0 0 318.333 0.731 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2nccs2)CC1 ZINC000152578888 545828085 /nfs/dbraw/zinc/82/80/85/545828085.db2.gz HGBNMVZGOZJWFR-UHFFFAOYSA-N 0 0 319.390 0.543 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NC[C@]3(O)CCOC3)s2)cn1 ZINC000178922465 545896895 /nfs/dbraw/zinc/89/68/95/545896895.db2.gz YCPIFXDQIVSQHJ-CYBMUJFWSA-N 0 0 308.363 0.425 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC1CCC(CO)CC1 ZINC000181028999 545902305 /nfs/dbraw/zinc/90/23/05/545902305.db2.gz MVUNSYVIFCKXFH-MCIGGMRASA-N 0 0 300.424 0.965 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cn2)o1 ZINC000181644609 545903218 /nfs/dbraw/zinc/90/32/18/545903218.db2.gz FRWQVUDNKHUMAZ-UHFFFAOYSA-N 0 0 315.738 0.905 10 0 DCAERN CNC(=O)[C@H](NCc1cc(=O)n2c(C)csc2n1)C(C)C ZINC000183688523 545909602 /nfs/dbraw/zinc/90/96/02/545909602.db2.gz BGPYVDBWIVIYMS-GFCCVEGCSA-N 0 0 308.407 0.925 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185034128 545911867 /nfs/dbraw/zinc/91/18/67/545911867.db2.gz KGPUJASZHNBARX-QWHCGFSZSA-N 0 0 307.394 0.228 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(C)(C)CC(N)=O ZINC000186269205 545912955 /nfs/dbraw/zinc/91/29/55/545912955.db2.gz BQRGLRCRDFZALF-SNVBAGLBSA-N 0 0 306.366 0.967 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC[C@H]1C ZINC000187904050 545916109 /nfs/dbraw/zinc/91/61/09/545916109.db2.gz CJPPCNGFLNWRRV-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000188569657 545917766 /nfs/dbraw/zinc/91/77/66/545917766.db2.gz RJEYQXMMPCVBIC-GHMZBOCLSA-N 0 0 308.407 0.923 10 0 DCAERN CCOc1cnc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cn1 ZINC000189421683 545920533 /nfs/dbraw/zinc/92/05/33/545920533.db2.gz XKWLJOHVDZBJLZ-GFCCVEGCSA-N 0 0 317.349 0.613 10 0 DCAERN CN1CC[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)CC1=O ZINC000190118155 545923218 /nfs/dbraw/zinc/92/32/18/545923218.db2.gz VWRPURWJZNPHBK-JTQLQIEISA-N 0 0 302.334 0.067 10 0 DCAERN CN1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000194757177 545933219 /nfs/dbraw/zinc/93/32/19/545933219.db2.gz ZUCASOQGZKYSEN-SECBINFHSA-N 0 0 300.318 0.274 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC[C@@H]1COCCO1 ZINC000332797641 546061097 /nfs/dbraw/zinc/06/10/97/546061097.db2.gz MMXRRMXLMPIEDA-TUAOUCFPSA-N 0 0 316.423 0.466 10 0 DCAERN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000332966703 546067548 /nfs/dbraw/zinc/06/75/48/546067548.db2.gz UZZMMVZNODUWFF-CBBWQLFWSA-N 0 0 321.421 0.509 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000332964771 546067758 /nfs/dbraw/zinc/06/77/58/546067758.db2.gz JKQCBPPQUZNYHI-OLZOCXBDSA-N 0 0 316.467 0.761 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000333543889 546083947 /nfs/dbraw/zinc/08/39/47/546083947.db2.gz ORADWSCVRULMBY-GHMZBOCLSA-N 0 0 301.368 0.254 10 0 DCAERN Cc1cnc(N2CCC[C@](O)(C(N)=O)C2)c(Br)c1 ZINC000381172418 546215659 /nfs/dbraw/zinc/21/56/59/546215659.db2.gz XQRYQTGPVVKIBP-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@@]1(CO)CCCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401773340 546225337 /nfs/dbraw/zinc/22/53/37/546225337.db2.gz KYIVXLUSHJDPOD-INIZCTEOSA-N 0 0 317.393 0.695 10 0 DCAERN COc1ncc(Cl)c(N2CC[C@](O)(Cn3ccnn3)C2)n1 ZINC000671466012 547218805 /nfs/dbraw/zinc/21/88/05/547218805.db2.gz FBOXNZAXSNLUNU-GFCCVEGCSA-N 0 0 310.745 0.372 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725272987 548749938 /nfs/dbraw/zinc/74/99/38/548749938.db2.gz WXGAIUOCOZNYPJ-MWLCHTKSSA-N 0 0 318.468 0.875 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNc3nc(C(N)=O)nn32)C1 ZINC000232498140 563961807 /nfs/dbraw/zinc/96/18/07/563961807.db2.gz KTNFSJZKAYSIJN-RKDXNWHRSA-N 0 0 322.369 0.601 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000248615279 660627813 /nfs/dbraw/zinc/62/78/13/660627813.db2.gz ZEQQVWXCKSZZEA-TUAOUCFPSA-N 0 0 312.391 0.244 10 0 DCAERN Cc1nc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(C)o1 ZINC000888093513 661158624 /nfs/dbraw/zinc/15/86/24/661158624.db2.gz AWCDXPANMKYQAE-NWDGAFQWSA-N 0 0 306.322 0.601 10 0 DCAERN Cc1cncn1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888094894 661161080 /nfs/dbraw/zinc/16/10/80/661161080.db2.gz FSTPSHHINLXIOQ-HUBLWGQQSA-N 0 0 306.366 0.134 10 0 DCAERN Cn1cccc1C(=O)NCc1nc([C@H]2COCCN2C)n[nH]1 ZINC000888095125 661164880 /nfs/dbraw/zinc/16/48/80/661164880.db2.gz QOYRAFJNMCRWQD-LLVKDONJSA-N 0 0 304.354 0.076 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nccnc2C)cn1 ZINC000888100676 661179195 /nfs/dbraw/zinc/17/91/95/661179195.db2.gz FGJVOMOVLJBVQM-QWHCGFSZSA-N 0 0 317.349 0.578 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1cccc(Br)c1 ZINC000722490955 661275606 /nfs/dbraw/zinc/27/56/06/661275606.db2.gz SWTRRWBTIJDVID-MRVPVSSYSA-N 0 0 307.169 0.631 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CNOC2)c(Br)c1 ZINC000722500804 661280941 /nfs/dbraw/zinc/28/09/41/661280941.db2.gz LNPNQEKHCGFTHO-MRVPVSSYSA-N 0 0 321.196 0.939 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501528 661282048 /nfs/dbraw/zinc/28/20/48/661282048.db2.gz QUYZLRPXYQQXQN-MNOVXSKESA-N 0 0 322.427 0.950 10 0 DCAERN CCCS(=O)(=O)CCN1CCOC[C@@H]1c1nc(C)no1 ZINC000161037692 657462119 /nfs/dbraw/zinc/46/21/19/657462119.db2.gz YGADBRFTMSXNLS-LLVKDONJSA-N 0 0 303.384 0.576 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)OCc2noc(C)n2)c1 ZINC000255375294 657547839 /nfs/dbraw/zinc/54/78/39/657547839.db2.gz QUGRQBYEAYHADS-ARJAWSKDSA-N 0 0 302.290 0.889 10 0 DCAERN NS(=O)(=O)C1(CNc2ccncc2Br)CCC1 ZINC000721539499 657614486 /nfs/dbraw/zinc/61/44/86/657614486.db2.gz BTUSFKQSLGJMBI-UHFFFAOYSA-N 0 0 320.212 0.889 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC(=O)NC1CC1 ZINC000255137978 657683359 /nfs/dbraw/zinc/68/33/59/657683359.db2.gz SBPAJOWUWDUFOF-NSHDSACASA-N 0 0 319.409 0.425 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000356356542 665519412 /nfs/dbraw/zinc/51/94/12/665519412.db2.gz VKHJOWQTFAJRCC-STQMWFEESA-N 0 0 312.366 0.897 10 0 DCAERN CCN1CCN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000254976564 658004095 /nfs/dbraw/zinc/00/40/95/658004095.db2.gz BGBBNQXTIGJGOD-CYBMUJFWSA-N 0 0 305.426 0.852 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)Nc1ccc(F)cc1F ZINC000725009616 658018639 /nfs/dbraw/zinc/01/86/39/658018639.db2.gz DZPPCLSNOSHERC-VIFPVBQESA-N 0 0 304.318 0.680 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)Nc1ccc(F)cc1F ZINC000725009614 658018762 /nfs/dbraw/zinc/01/87/62/658018762.db2.gz DZPPCLSNOSHERC-SECBINFHSA-N 0 0 304.318 0.680 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235205005 658050143 /nfs/dbraw/zinc/05/01/43/658050143.db2.gz IPVWEPLGXZXIBI-QJPTWQEYSA-N 0 0 320.480 0.554 10 0 DCAERN CC(C)N(C)S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000048739453 658059578 /nfs/dbraw/zinc/05/95/78/658059578.db2.gz QRMDBRPTPRDCPM-UHFFFAOYSA-N 0 0 321.424 0.009 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCCO2)c(F)c1 ZINC000044511435 658379740 /nfs/dbraw/zinc/37/97/40/658379740.db2.gz AVUNFPQAMGLFHX-SECBINFHSA-N 0 0 316.354 0.772 10 0 DCAERN COC(=O)c1nc(C(=O)NCCOC(=O)N(C)C)cs1 ZINC000721471112 658494527 /nfs/dbraw/zinc/49/45/27/658494527.db2.gz PLGKAAFFOYYYJQ-UHFFFAOYSA-N 0 0 301.324 0.358 10 0 DCAERN Cn1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000722744718 658551972 /nfs/dbraw/zinc/55/19/72/658551972.db2.gz FLGWPIOXEZWBNR-QMMMGPOBSA-N 0 0 301.188 0.751 10 0 DCAERN COC(=O)COC(=O)c1cnn2cc(Br)cnc12 ZINC000179593458 658655011 /nfs/dbraw/zinc/65/50/11/658655011.db2.gz OAQWXNKKHKXCJB-UHFFFAOYSA-N 0 0 314.095 0.822 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2c3c(nn2C)CCC3)C1=O ZINC000888076254 658709476 /nfs/dbraw/zinc/70/94/76/658709476.db2.gz PDDJDIYANTYAKG-CYBMUJFWSA-N 0 0 320.393 0.875 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1C1CCOCC1 ZINC000888076189 658710281 /nfs/dbraw/zinc/71/02/81/658710281.db2.gz HFMPSCDRIZMYNR-LLVKDONJSA-N 0 0 318.377 0.797 10 0 DCAERN CS[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235148408 658910975 /nfs/dbraw/zinc/91/09/75/658910975.db2.gz IPVWEPLGXZXIBI-IJLUTSLNSA-N 0 0 320.480 0.554 10 0 DCAERN O=S(=O)(Cc1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000181422233 659047829 /nfs/dbraw/zinc/04/78/29/659047829.db2.gz OITXPYUSXXWFPW-MNOVXSKESA-N 0 0 324.807 0.413 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000069692643 665650876 /nfs/dbraw/zinc/65/08/76/665650876.db2.gz FLHGPMBMMZTECN-GFCCVEGCSA-N 0 0 307.460 0.697 10 0 DCAERN CCOC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000725912430 659507965 /nfs/dbraw/zinc/50/79/65/659507965.db2.gz UDESFFNGYORSGL-VIFPVBQESA-N 0 0 315.347 0.703 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C(C)C ZINC000178437317 659523865 /nfs/dbraw/zinc/52/38/65/659523865.db2.gz YVDCRRYINMSYLL-CFMSYZGJSA-N 0 0 305.444 0.603 10 0 DCAERN CCCn1cnnc1COC(=O)[C@H]1COCCN1CC(F)F ZINC000194977929 659526041 /nfs/dbraw/zinc/52/60/41/659526041.db2.gz PTECUNJCDVSMNT-SNVBAGLBSA-N 0 0 318.324 0.697 10 0 DCAERN O=C(NCc1ccccc1F)C(=O)N1CCC2(CC1)OCCO2 ZINC000242451628 665712900 /nfs/dbraw/zinc/71/29/00/665712900.db2.gz BONANFGXOFYNIG-UHFFFAOYSA-N 0 0 322.336 0.807 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278067 665764237 /nfs/dbraw/zinc/76/42/37/665764237.db2.gz LVAPUQXKRZJJFN-LLVKDONJSA-N 0 0 307.354 0.484 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178894970 661715741 /nfs/dbraw/zinc/71/57/41/661715741.db2.gz VQEBXRVUMKXVPO-LLVKDONJSA-N 0 0 321.381 0.314 10 0 DCAERN c1cc(N2CCC3(CC2)OCCO3)nc(N2CCOCC2)n1 ZINC000243261617 665802025 /nfs/dbraw/zinc/80/20/25/665802025.db2.gz KTJSUNAIOOHPDQ-UHFFFAOYSA-N 0 0 306.366 0.657 10 0 DCAERN C[C@@H](NC(=O)c1cnsn1)c1ccc(S(N)(=O)=O)cc1 ZINC000048722452 661963352 /nfs/dbraw/zinc/96/33/52/661963352.db2.gz GINRLBUDGWYQNP-SSDOTTSWSA-N 0 0 312.376 0.677 10 0 DCAERN O=C(N[C@@H]1CCOC1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000178935523 662047730 /nfs/dbraw/zinc/04/77/30/662047730.db2.gz ZXZNTUPILSPVHO-FRRDWIJNSA-N 0 0 310.350 0.902 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000346429195 662403989 /nfs/dbraw/zinc/40/39/89/662403989.db2.gz YOJQXBPXKBADOL-NXEZZACHSA-N 0 0 300.380 0.436 10 0 DCAERN C[C@H](O)c1nc2ccccc2n1Cc1cc(=O)n(C)c(=O)n1C ZINC000192457301 662877622 /nfs/dbraw/zinc/87/76/22/662877622.db2.gz AOYNMHCGEUKTJX-JTQLQIEISA-N 0 0 314.345 0.535 10 0 DCAERN CC(C)[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)C ZINC000729701166 662907738 /nfs/dbraw/zinc/90/77/38/662907738.db2.gz YDUSKZJRYTUZCF-JQWIXIFHSA-N 0 0 305.396 0.467 10 0 DCAERN C[S@@](=O)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000730093742 663044028 /nfs/dbraw/zinc/04/40/28/663044028.db2.gz FLDXJQBPGPBGNZ-MCMMXHMISA-N 0 0 324.402 0.912 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000346403644 663161527 /nfs/dbraw/zinc/16/15/27/663161527.db2.gz MTDCPXHTFCXUMO-VHSXEESVSA-N 0 0 300.380 0.484 10 0 DCAERN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000900895422 663290941 /nfs/dbraw/zinc/29/09/41/663290941.db2.gz PKBIBMPUTLHQGF-AVGNSLFASA-N 0 0 322.409 0.747 10 0 DCAERN CC(C)(O)[C@H](O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000901247879 663333214 /nfs/dbraw/zinc/33/32/14/663333214.db2.gz YFJIOXMNBRXTEA-ZWKOPEQDSA-N 0 0 315.316 0.731 10 0 DCAERN Cc1nc2c(nccc2C(=O)N(C)CCNC(=O)N(C)C)[nH]1 ZINC000436156019 663425480 /nfs/dbraw/zinc/42/54/80/663425480.db2.gz RCRVAXNAXMSOLO-UHFFFAOYSA-N 0 0 304.354 0.610 10 0 DCAERN COC(=O)CC(=O)NCc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000907154580 663674134 /nfs/dbraw/zinc/67/41/34/663674134.db2.gz DNEYJBQGZJKORV-SSDOTTSWSA-N 0 0 320.271 0.897 10 0 DCAERN CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000908106112 663734015 /nfs/dbraw/zinc/73/40/15/663734015.db2.gz IZGXAVLWDCJTNO-GUPKVRCOSA-N 0 0 320.393 0.573 10 0 DCAERN CNc1snc(C)c1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909159128 663782653 /nfs/dbraw/zinc/78/26/53/663782653.db2.gz CJPVVUGMDIPKJB-KKZNHRDASA-N 0 0 307.379 0.794 10 0 DCAERN O=C(CSCC(F)(F)F)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909177285 663783859 /nfs/dbraw/zinc/78/38/59/663783859.db2.gz YWSSVYWUONBHTJ-KHQFGBGNSA-N 0 0 309.313 0.969 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1ccc(NC2CC2)nc1 ZINC000909167079 663785228 /nfs/dbraw/zinc/78/52/28/663785228.db2.gz REABDNBBZLLHOG-VNHYZAJKSA-N 0 0 313.361 0.957 10 0 DCAERN O=C(CC1CCN(CC(F)(F)F)CC1)N1CCOC[C@@H]1CO ZINC000912415906 664173243 /nfs/dbraw/zinc/17/32/43/664173243.db2.gz LRMWQTVUWRLQND-LBPRGKRZSA-N 0 0 324.343 0.871 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCOC[C@@H]1CO)C2 ZINC000912421720 664174344 /nfs/dbraw/zinc/17/43/44/664174344.db2.gz JTZJWNRTNDJBST-STQMWFEESA-N 0 0 307.346 0.466 10 0 DCAERN O=C(CCCn1c(=O)oc2ccccc21)N1CCOC[C@H]1CO ZINC000912427778 664175235 /nfs/dbraw/zinc/17/52/35/664175235.db2.gz PZQSDQXPYCMUEM-GFCCVEGCSA-N 0 0 320.345 0.594 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C)C[C@H]1CO ZINC000912739087 664215550 /nfs/dbraw/zinc/21/55/50/664215550.db2.gz PUIBPQQULVJNCO-BFHYXJOUSA-N 0 0 322.409 0.116 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1cnc2nccn2c1 ZINC000912838173 664235296 /nfs/dbraw/zinc/23/52/96/664235296.db2.gz GUCOQGIFIQRWGH-NSHDSACASA-N 0 0 303.322 0.041 10 0 DCAERN CNC(=O)COC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000055055941 664362977 /nfs/dbraw/zinc/36/29/77/664362977.db2.gz RKUGEWWTFAEHAW-LLVKDONJSA-N 0 0 310.375 0.571 10 0 DCAERN S=C(NCCCN1CCOCC1)NCC[C@@H]1CCCO1 ZINC000055353241 664369919 /nfs/dbraw/zinc/36/99/19/664369919.db2.gz FBYDNVSNCDHDAJ-ZDUSSCGKSA-N 0 0 301.456 0.742 10 0 DCAERN CCc1nccn1CCCNC(=O)Cc1nc[nH]c(=O)c1C ZINC000222948174 664396646 /nfs/dbraw/zinc/39/66/46/664396646.db2.gz NHYJPTVNOIFCJQ-UHFFFAOYSA-N 0 0 303.366 0.586 10 0 DCAERN CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NCCO)ccc21 ZINC000223689395 664419730 /nfs/dbraw/zinc/41/97/30/664419730.db2.gz XUNDPENRVFUPAJ-UHFFFAOYSA-N 0 0 312.391 0.601 10 0 DCAERN CCCn1cc(NC(=O)C(=O)NCCn2cc(C)cn2)cn1 ZINC000157240546 664462215 /nfs/dbraw/zinc/46/22/15/664462215.db2.gz DPVPKMCZSNZSKT-UHFFFAOYSA-N 0 0 304.354 0.553 10 0 DCAERN O=S(=O)(c1c(F)cc(F)cc1F)N1CCOC[C@H]1CO ZINC000168647439 664527840 /nfs/dbraw/zinc/52/78/40/664527840.db2.gz VQCKXJMCCUZLIT-MRVPVSSYSA-N 0 0 311.281 0.486 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000440874240 664562061 /nfs/dbraw/zinc/56/20/61/664562061.db2.gz WARQMTURDMIXFW-YUSALJHKSA-N 0 0 302.396 0.218 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccnc2-n2cccn2)C1 ZINC000170683619 664586334 /nfs/dbraw/zinc/58/63/34/664586334.db2.gz IYONSUGKXNTDEC-GFCCVEGCSA-N 0 0 301.350 0.328 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000171644581 664611456 /nfs/dbraw/zinc/61/14/56/664611456.db2.gz MKVIDBSQBUEYEA-ZDUSSCGKSA-N 0 0 321.425 0.725 10 0 DCAERN NC(=O)Cn1cc(C(=O)O[C@@H]2CCCc3ccccc32)nn1 ZINC000174095836 664635467 /nfs/dbraw/zinc/63/54/67/664635467.db2.gz UZKWDZDMCMTCJS-CYBMUJFWSA-N 0 0 300.318 0.998 10 0 DCAERN CCCn1cc(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)cn1 ZINC000174122457 664636014 /nfs/dbraw/zinc/63/60/14/664636014.db2.gz GMKQFTDZTQPNAL-SNVBAGLBSA-N 0 0 300.384 0.944 10 0 DCAERN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000174606387 664640757 /nfs/dbraw/zinc/64/07/57/664640757.db2.gz ONOQAQKFBLOIIY-UONOGXRCSA-N 0 0 316.357 0.714 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCCC[C@@H]1C ZINC000730307790 664682070 /nfs/dbraw/zinc/68/20/70/664682070.db2.gz CRTCQQMXMCFLAK-JQWIXIFHSA-N 0 0 314.407 0.852 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCCn1c(C)csc1=O ZINC000730307849 664682073 /nfs/dbraw/zinc/68/20/73/664682073.db2.gz ADXCKMJLYHALGK-JTQLQIEISA-N 0 0 316.404 0.683 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](C)Cn1ccnc1C ZINC000741083052 664705727 /nfs/dbraw/zinc/70/57/27/664705727.db2.gz RSTPAVQTJBBGMV-YBTHPKLGSA-N 0 0 300.428 0.895 10 0 DCAERN C[C@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCS1(=O)=O ZINC000151592893 664708039 /nfs/dbraw/zinc/70/80/39/664708039.db2.gz WUBHHSTWXDELHQ-NSHDSACASA-N 0 0 323.374 0.580 10 0 DCAERN COCCn1cnn(CN2CCC[C@@H](C(=O)OC)C2)c1=S ZINC000151616032 664708931 /nfs/dbraw/zinc/70/89/31/664708931.db2.gz FLGQJLMABQTPPC-LLVKDONJSA-N 0 0 314.411 0.903 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CN3C[C@H](C)CC3=O)CC2)n1 ZINC000152631843 664767099 /nfs/dbraw/zinc/76/70/99/664767099.db2.gz KOGUOVMXADLJOW-VXGBXAGGSA-N 0 0 307.398 0.883 10 0 DCAERN COCCN(C(=O)C1=COCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000731197292 664843135 /nfs/dbraw/zinc/84/31/35/664843135.db2.gz RSVQFDNVORNNKM-LBPRGKRZSA-N 0 0 303.380 0.343 10 0 DCAERN CC1(C)CN(C(=O)C(F)(F)C2(O)CCC2)CCS1(=O)=O ZINC000153915203 665065232 /nfs/dbraw/zinc/06/52/32/665065232.db2.gz RBCNVIFKQFQKPI-UHFFFAOYSA-N 0 0 311.350 0.572 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000352036420 665130360 /nfs/dbraw/zinc/13/03/60/665130360.db2.gz ZMDJPGRYORDYKZ-ZDUSSCGKSA-N 0 0 321.402 0.422 10 0 DCAERN C[C@H](CN1CCOCC1)OC(=O)c1ccc2nnn(C)c2c1 ZINC000183828057 666120294 /nfs/dbraw/zinc/12/02/94/666120294.db2.gz HPHFGYOCFXHTNW-LLVKDONJSA-N 0 0 304.350 0.846 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CSC(=O)N2)CC[S@@]1=O ZINC000183873185 666129967 /nfs/dbraw/zinc/12/99/67/666129967.db2.gz RRJZXKCUBPARPC-HOGDKLEQSA-N 0 0 304.437 0.961 10 0 DCAERN O=c1oc(-c2ccccc2)nn1CN1CCO[C@@]2(CCOC2)C1 ZINC000184270577 666193517 /nfs/dbraw/zinc/19/35/17/666193517.db2.gz LIJKBCOLGXVMJV-INIZCTEOSA-N 0 0 317.345 0.952 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCO[C@]2(CCOC2)C1 ZINC000184277185 666193741 /nfs/dbraw/zinc/19/37/41/666193741.db2.gz BLSQJZTUMJREGP-DVOMOZLQSA-N 0 0 306.362 0.386 10 0 DCAERN Cc1ccn(CN2CCC(C(=O)N(C)C)CC2)c(=O)c1C#N ZINC000184678159 666256275 /nfs/dbraw/zinc/25/62/75/666256275.db2.gz UFDUOXSQJYLUQZ-UHFFFAOYSA-N 0 0 302.378 0.786 10 0 DCAERN CCc1ccc(CCOC(=O)CN2CCCS2(=O)=O)nc1 ZINC000184740523 666267017 /nfs/dbraw/zinc/26/70/17/666267017.db2.gz PBCXHAUTSUDXKB-UHFFFAOYSA-N 0 0 312.391 0.765 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1C[C@H](O)Cc2ccccc21 ZINC000447715891 666358718 /nfs/dbraw/zinc/35/87/18/666358718.db2.gz ABUPIHCRAHJFHA-OCCSQVGLSA-N 0 0 306.387 0.858 10 0 DCAERN Cn1nccc1CCNC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000186806548 666598279 /nfs/dbraw/zinc/59/82/79/666598279.db2.gz CTFJAISFFMTHAD-AWEZNQCLSA-N 0 0 315.377 0.358 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)OCCOc1ccc(F)cc1 ZINC000733561376 666765872 /nfs/dbraw/zinc/76/58/72/666765872.db2.gz IPUCOBHUQYYKAB-UHFFFAOYSA-N 0 0 310.281 0.690 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N(C)C ZINC000733589535 666767152 /nfs/dbraw/zinc/76/71/52/666767152.db2.gz XXLVJJDDJBMGPT-NSHDSACASA-N 0 0 317.363 0.953 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000733882917 666823583 /nfs/dbraw/zinc/82/35/83/666823583.db2.gz QYWUAXKQIPPKCS-NRFANRHFSA-N 0 0 309.391 0.715 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000733881099 666823597 /nfs/dbraw/zinc/82/35/97/666823597.db2.gz YWGJQSDVPMGGAG-NRFANRHFSA-N 0 0 311.407 0.417 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000733879657 666823782 /nfs/dbraw/zinc/82/37/82/666823782.db2.gz QJBACPCDUYTTLM-VVSLUIPWSA-N 0 0 304.437 0.325 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000701253121 666824540 /nfs/dbraw/zinc/82/45/40/666824540.db2.gz AWXVHCRDFWSWHA-LBPRGKRZSA-N 0 0 304.346 0.780 10 0 DCAERN CC[S@](=O)CCNC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000733960397 666832329 /nfs/dbraw/zinc/83/23/29/666832329.db2.gz ICDMHVXMXAJJKI-NRFANRHFSA-N 0 0 306.391 0.695 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)COc2ccccc21 ZINC000733962588 666832368 /nfs/dbraw/zinc/83/23/68/666832368.db2.gz LWXHHZFKVNUZQQ-NRFANRHFSA-N 0 0 310.375 0.297 10 0 DCAERN CNC(=O)COc1ccc(OS(=O)(=O)CCCOC)cc1 ZINC000734152625 666849900 /nfs/dbraw/zinc/84/99/00/666849900.db2.gz YEMUVYKCNVMHDE-UHFFFAOYSA-N 0 0 317.363 0.557 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(OCCOC)nc1 ZINC000734359376 666871239 /nfs/dbraw/zinc/87/12/39/666871239.db2.gz ANEKYVDWTQJAPX-NRFANRHFSA-N 0 0 315.395 0.997 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(c2cnccn2)CC1 ZINC000735109216 666947018 /nfs/dbraw/zinc/94/70/18/666947018.db2.gz DUZLAHLEZKULGZ-NRFANRHFSA-N 0 0 311.411 0.077 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000735108535 666947144 /nfs/dbraw/zinc/94/71/44/666947144.db2.gz ANAIHQDNHXKCHO-HXUWFJFHSA-N 0 0 315.361 0.645 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCc1cn2ccccc2n1 ZINC000735089727 666949791 /nfs/dbraw/zinc/94/97/91/666949791.db2.gz BUDSCLOANDEJOT-NRFANRHFSA-N 0 0 308.407 0.945 10 0 DCAERN CCOC(=O)N1CCC(NC(=O)NCC[S@](=O)CC)CC1 ZINC000735109662 666949897 /nfs/dbraw/zinc/94/98/97/666949897.db2.gz DYOFSJLJKFOXHB-OAQYLSRUSA-N 0 0 319.427 0.675 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000735110988 666954681 /nfs/dbraw/zinc/95/46/81/666954681.db2.gz PHVLTMMCRVSZIK-XUSGNXJCSA-N 0 0 315.439 0.551 10 0 DCAERN CO[C@](C)(CO)CNC(=O)c1cccc(Br)n1 ZINC000702517255 666964317 /nfs/dbraw/zinc/96/43/17/666964317.db2.gz JQLPZJFNMYHFKA-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000735197616 666966495 /nfs/dbraw/zinc/96/64/95/666966495.db2.gz FMPZXQBLJCVRTG-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(N)ccc2Cl)C1 ZINC000703009947 667029743 /nfs/dbraw/zinc/02/97/43/667029743.db2.gz NAEJCQTVZAPTTD-SECBINFHSA-N 0 0 317.798 0.686 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCNC(N)=O ZINC000735811998 667036004 /nfs/dbraw/zinc/03/60/04/667036004.db2.gz FNGMJXFGZLJKGQ-AWEZNQCLSA-N 0 0 318.377 0.307 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cncc(O)c2)cn1 ZINC000862921626 667092080 /nfs/dbraw/zinc/09/20/80/667092080.db2.gz ABUYWCOWUJBZQR-UONOGXRCSA-N 0 0 318.333 0.026 10 0 DCAERN C[C@@H]1CN(Cn2cnc3cc(F)c(F)cc32)C[C@H](C(N)=O)O1 ZINC000120187140 667275120 /nfs/dbraw/zinc/27/51/20/667275120.db2.gz FKHOZOUCNBOUOP-AMIZOPFISA-N 0 0 310.304 0.847 10 0 DCAERN C[C@@H]1CN(Cn2cnc(-c3ccccc3)n2)C[C@H](C(N)=O)O1 ZINC000120203636 667280409 /nfs/dbraw/zinc/28/04/09/667280409.db2.gz FGSGCTFLVUXDAB-DGCLKSJQSA-N 0 0 301.350 0.477 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@H](S(N)(=O)=O)C2)n1 ZINC000707412066 667438855 /nfs/dbraw/zinc/43/88/55/667438855.db2.gz BIBBJCZJYNFKNL-QMMMGPOBSA-N 0 0 320.802 0.534 10 0 DCAERN CN([C@@H]1CN2CCC1CC2)S(=O)(=O)C1CCC(=O)CC1 ZINC000708201793 667442335 /nfs/dbraw/zinc/44/23/35/667442335.db2.gz JCCHIPFTLKWPFE-CQSZACIVSA-N 0 0 300.424 0.854 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2csc(Br)n2)C1 ZINC000709600530 667445379 /nfs/dbraw/zinc/44/53/79/667445379.db2.gz IEMBYWGMVJFMMY-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000739591641 667709375 /nfs/dbraw/zinc/70/93/75/667709375.db2.gz WLESLHNVPZKQSM-RKDXNWHRSA-N 0 0 312.313 0.698 10 0 DCAERN CC(=O)N1C[C@H](NC(=O)c2nnc[nH]2)CC[C@@H]1C(F)(F)F ZINC000886051585 667727422 /nfs/dbraw/zinc/72/74/22/667727422.db2.gz HWTUFHVVONKEPT-HTQZYQBOSA-N 0 0 305.260 0.476 10 0 DCAERN Cc1ccncc1CN1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071725 667728298 /nfs/dbraw/zinc/72/82/98/667728298.db2.gz AXJHKZBGACDCNO-INIZCTEOSA-N 0 0 305.378 0.751 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCOCC(F)(F)C2)C1=O ZINC000886078121 667728870 /nfs/dbraw/zinc/72/88/70/667728870.db2.gz MRYFZZMUFRNIRK-NSHDSACASA-N 0 0 320.336 0.508 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)Nc1ccc(C3CC3)nn1)N(C)C2 ZINC000886074586 667729113 /nfs/dbraw/zinc/72/91/13/667729113.db2.gz DKZUXZOBRRQQSI-LBPRGKRZSA-N 0 0 313.365 0.707 10 0 DCAERN CC1=C(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)CCCO1 ZINC000886084733 667730225 /nfs/dbraw/zinc/73/02/25/667730225.db2.gz CTEWZYZHDRYPNO-INIZCTEOSA-N 0 0 320.393 0.796 10 0 DCAERN COc1nccc(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886088240 667730880 /nfs/dbraw/zinc/73/08/80/667730880.db2.gz FGNPNUQCEAONGX-OAHLLOKOSA-N 0 0 318.381 0.183 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)[C@H]1CCOC1=O ZINC000886096510 667731668 /nfs/dbraw/zinc/73/16/68/667731668.db2.gz KJSJZBMXSHEMRU-AVGNSLFASA-N 0 0 308.357 0.636 10 0 DCAERN C[C@H](O)[C@@H](O)CNc1ncc(I)cn1 ZINC000717387671 667743723 /nfs/dbraw/zinc/74/37/23/667743723.db2.gz SZVPKFYTVXJKTF-FSPLSTOPSA-N 0 0 309.107 0.235 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(OC)nc1OC ZINC000743129158 667803584 /nfs/dbraw/zinc/80/35/84/667803584.db2.gz QZZZBSCOXLQTNZ-FQEVSTJZSA-N 0 0 301.368 0.989 10 0 DCAERN CN(CC1CC1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743204401 667804325 /nfs/dbraw/zinc/80/43/25/667804325.db2.gz HJJPGDGYSHOLRK-UHFFFAOYSA-N 0 0 300.384 0.801 10 0 DCAERN Cn1cc([C@@H](O)CNC(=O)Nc2ccc3nccn3c2)cn1 ZINC000743168742 667804627 /nfs/dbraw/zinc/80/46/27/667804627.db2.gz DFYWFMWWZABZCQ-LBPRGKRZSA-N 0 0 300.322 0.923 10 0 DCAERN CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000300607321 667888132 /nfs/dbraw/zinc/88/81/32/667888132.db2.gz NZCMVBPWEFBZOW-ZJUUUORDSA-N 0 0 318.420 0.827 10 0 DCAERN CC[C@H]1CN(C(=O)NCc2nonc2C)C[C@@H]1N1CCOCC1 ZINC000876439402 668446726 /nfs/dbraw/zinc/44/67/26/668446726.db2.gz KPQXUUVTVIVQII-JSGCOSHPSA-N 0 0 323.397 0.630 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NC[C@@H]1Cc2ccccc21 ZINC000126549315 668622650 /nfs/dbraw/zinc/62/26/50/668622650.db2.gz VVHINVUODGHSNP-QWHCGFSZSA-N 0 0 308.403 0.219 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CO)c1ccccc1 ZINC000127182217 668738317 /nfs/dbraw/zinc/73/83/17/668738317.db2.gz NOKYHHRAKAPNNO-UONOGXRCSA-N 0 0 308.403 0.800 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000035611466 669012674 /nfs/dbraw/zinc/01/26/74/669012674.db2.gz IYZJBNLOASFNIG-BZPMIXESSA-N 0 0 314.407 0.664 10 0 DCAERN CC[C@](C)(O)CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000931223865 669160082 /nfs/dbraw/zinc/16/00/82/669160082.db2.gz VYTLCNHPAVYYTI-KGLIPLIRSA-N 0 0 304.456 0.342 10 0 DCAERN COC(=O)c1cn(CN2CCNC(=O)[C@H]2c2ccccc2)nn1 ZINC000129785344 669555290 /nfs/dbraw/zinc/55/52/90/669555290.db2.gz YATCAIGXUOMYMR-CYBMUJFWSA-N 0 0 315.333 0.195 10 0 DCAERN Cc1cnn([C@H]2CCCN(Cn3nc4cnccn4c3=O)C2)c1 ZINC000133055153 669774840 /nfs/dbraw/zinc/77/48/40/669774840.db2.gz HHJRCTNOQMVUQJ-ZDUSSCGKSA-N 0 0 313.365 0.691 10 0 DCAERN CCOC(=O)c1cnn(CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000133192774 669787529 /nfs/dbraw/zinc/78/75/29/669787529.db2.gz GCYSQGCBSOJLPM-SNVBAGLBSA-N 0 0 301.368 0.136 10 0 DCAERN Ic1cnc(NCc2nc[nH]n2)nc1 ZINC000133438286 669808551 /nfs/dbraw/zinc/80/85/51/669808551.db2.gz LGFUWAWPRWJQKH-UHFFFAOYSA-N 0 0 302.079 0.811 10 0 DCAERN O=c1c(Br)c(NCCO)cnn1CC(F)(F)F ZINC000133509674 669815914 /nfs/dbraw/zinc/81/59/14/669815914.db2.gz RLJRVQBJWBAKEF-UHFFFAOYSA-N 0 0 316.077 0.972 10 0 DCAERN C[C@@H](NC(=O)C1=COCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000040214547 669820682 /nfs/dbraw/zinc/82/06/82/669820682.db2.gz YYOSAZXTUPWXTC-SECBINFHSA-N 0 0 312.347 0.399 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCC(F)(F)F ZINC000041749479 669825032 /nfs/dbraw/zinc/82/50/32/669825032.db2.gz FIYGPGJTUIHRIS-UHFFFAOYSA-N 0 0 302.208 0.795 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@@H](C)O1 ZINC000157702243 669923178 /nfs/dbraw/zinc/92/31/78/669923178.db2.gz JNHDPJSEYLYEIG-APPZFPTMSA-N 0 0 315.757 0.784 10 0 DCAERN C#CCNC(=O)CN(CCc1cccs1)CC(=O)NCC#C ZINC000047613942 669930062 /nfs/dbraw/zinc/93/00/62/669930062.db2.gz KEWKRDWEPBNKKH-UHFFFAOYSA-N 0 0 317.414 0.091 10 0 DCAERN COc1ccc(NNC(=O)[C@@H](C)NC(=O)c2ccco2)nc1 ZINC000159582692 669939719 /nfs/dbraw/zinc/93/97/19/669939719.db2.gz CFINWBKUVVCDNJ-SECBINFHSA-N 0 0 304.306 0.945 10 0 DCAERN CCc1cnc(CCNC(=O)N(C)CCS(C)(=O)=O)s1 ZINC000074841648 669957605 /nfs/dbraw/zinc/95/76/05/669957605.db2.gz MHEZLJMHONABIU-UHFFFAOYSA-N 0 0 319.452 0.934 10 0 DCAERN CO[C@@H]1CCC[C@H](OC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075477544 670014469 /nfs/dbraw/zinc/01/44/69/670014469.db2.gz BEXORTBSVWUYTG-MNOVXSKESA-N 0 0 320.349 0.631 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000191422304 670021605 /nfs/dbraw/zinc/02/16/05/670021605.db2.gz NVVCASQCUDCNCP-VXGBXAGGSA-N 0 0 310.316 0.828 10 0 DCAERN C[C@@H]1CN(CN2C[C@H](CC(C)(C)C)CC2=O)C[C@H](C(N)=O)O1 ZINC000189171835 670095264 /nfs/dbraw/zinc/09/52/64/670095264.db2.gz ILIQSIPNDYNVIT-FRRDWIJNSA-N 0 0 311.426 0.803 10 0 DCAERN C[C@H](CS(C)(=O)=O)NCc1cn(C)nc1Br ZINC000712448978 670149108 /nfs/dbraw/zinc/14/91/08/670149108.db2.gz SFIHQZXSNQTXIH-SSDOTTSWSA-N 0 0 310.217 0.705 10 0 DCAERN CCn1cc([C@@H]2CN(CN3CC(=O)N(C)C3=O)CCO2)cn1 ZINC000189847278 670166776 /nfs/dbraw/zinc/16/67/76/670166776.db2.gz QEVLDMLKNZZEON-LBPRGKRZSA-N 0 0 307.354 0.128 10 0 DCAERN NS(=O)(=O)C1(CNc2cnc(Br)cn2)CC1 ZINC000714017594 670173886 /nfs/dbraw/zinc/17/38/86/670173886.db2.gz YTYJNIASEYKXCV-UHFFFAOYSA-N 0 0 307.173 0.472 10 0 DCAERN CCN1CN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1=O ZINC000189874474 670172168 /nfs/dbraw/zinc/17/21/68/670172168.db2.gz RJWUSVXXTRQZIA-QFIPXVFZSA-N 0 0 323.418 0.767 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000713966830 670172441 /nfs/dbraw/zinc/17/24/41/670172441.db2.gz GJCYAKRKFPIPDI-UHFFFAOYSA-N 0 0 300.405 0.788 10 0 DCAERN COC(=O)C1(O)CN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000714425353 670185935 /nfs/dbraw/zinc/18/59/35/670185935.db2.gz QXWIWNFVTSYEKE-UHFFFAOYSA-N 0 0 301.701 0.768 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@H]1CCCS1 ZINC000715939816 670226284 /nfs/dbraw/zinc/22/62/84/670226284.db2.gz AXKLVZLDEXPHDN-WDEREUQCSA-N 0 0 306.453 0.165 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)c1 ZINC000715932836 670226315 /nfs/dbraw/zinc/22/63/15/670226315.db2.gz QFMBCSMOZKHJHT-SNVBAGLBSA-N 0 0 301.368 0.477 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCCC1(C)OCCO1 ZINC000715964691 670226897 /nfs/dbraw/zinc/22/68/97/670226897.db2.gz WFUUYOZAANNBAM-UHFFFAOYSA-N 0 0 309.775 0.505 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000716509171 670266806 /nfs/dbraw/zinc/26/68/06/670266806.db2.gz NTDMFSPCVHSMQB-YFKTTZPYSA-N 0 0 304.412 0.608 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000716509168 670266823 /nfs/dbraw/zinc/26/68/23/670266823.db2.gz NTDMFSPCVHSMQB-KXNHARMFSA-N 0 0 304.412 0.608 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1ccc(Br)nc1 ZINC000716805393 670273651 /nfs/dbraw/zinc/27/36/51/670273651.db2.gz VDBNVRCNBMSSLP-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN Cn1nc([C@@H]2CC[C@@H](C(F)(F)F)NC2)cc1S(N)(=O)=O ZINC000757571902 670280292 /nfs/dbraw/zinc/28/02/92/670280292.db2.gz NHSGBMHSVGNQLT-SVRRBLITSA-N 0 0 312.317 0.465 10 0 DCAERN O=C(CN1CCN(C[C@H]2CCC=CO2)CC1)N1CCOCC1 ZINC000193631866 670319139 /nfs/dbraw/zinc/31/91/39/670319139.db2.gz BEFFKPQKEIJSRO-OAHLLOKOSA-N 0 0 309.410 0.156 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000195475476 670495293 /nfs/dbraw/zinc/49/52/93/670495293.db2.gz XQXAQDKNMNBOJC-NEPJUHHUSA-N 0 0 323.422 0.443 10 0 DCAERN C[C@H](C(=O)Nc1cc(Cl)ccc1C(N)=O)S(C)(=O)=O ZINC000112788921 670654719 /nfs/dbraw/zinc/65/47/19/670654719.db2.gz QITIVMJIJOQWLW-ZCFIWIBFSA-N 0 0 304.755 0.811 10 0 DCAERN O=C(NCc1ccccc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000009855253 670660464 /nfs/dbraw/zinc/66/04/64/670660464.db2.gz CHCRBGHTWQBEAB-UHFFFAOYSA-N 0 0 304.346 0.668 10 0 DCAERN CCc1nc(CNC(=O)N(C)CCS(C)(=O)=O)cs1 ZINC000107854489 670729525 /nfs/dbraw/zinc/72/95/25/670729525.db2.gz USHMCAZXLUSQIF-UHFFFAOYSA-N 0 0 305.425 0.892 10 0 DCAERN Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccn3C)C2)n[nH]1 ZINC000857346917 670912663 /nfs/dbraw/zinc/91/26/63/670912663.db2.gz LIJHCNKYNMYMKP-DMDPSCGWSA-N 0 0 303.366 0.736 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)n[nH]1 ZINC000818481534 671021015 /nfs/dbraw/zinc/02/10/15/671021015.db2.gz VFSOFKJMRYIVNZ-NEPJUHHUSA-N 0 0 317.393 0.916 10 0 DCAERN NS(=O)(=O)CCCCNC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000716940313 671747211 /nfs/dbraw/zinc/74/72/11/671747211.db2.gz INPGZABDOZVHLO-LLVKDONJSA-N 0 0 304.412 0.663 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1S(N)(=O)=O ZINC000385166174 1158220973 /nfs/dbraw/zinc/22/09/73/1158220973.db2.gz OGRCLQHVFTYJDR-ACLDMZEESA-N 0 0 302.352 0.531 10 0 DCAERN CC(C)[C@@](C)(CO)NC(=O)c1c(Br)nnn1C ZINC000398568135 685274547 /nfs/dbraw/zinc/27/45/47/685274547.db2.gz NMMYZOWPOGRTOY-SNVBAGLBSA-N 0 0 305.176 0.714 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccnc(Cl)c2)CCS(=O)(=O)C1 ZINC000720845484 685315443 /nfs/dbraw/zinc/31/54/43/685315443.db2.gz NKDBVAMSQOOODJ-GFCCVEGCSA-N 0 0 318.782 0.669 10 0 DCAERN O=S(=O)(c1ccns1)N1CCC[C@H](C2OCCO2)C1 ZINC000719099490 685308613 /nfs/dbraw/zinc/30/86/13/685308613.db2.gz OKGSYPUNLVOJLF-VIFPVBQESA-N 0 0 304.393 0.917 10 0 DCAERN CO[C@]1(CNC(=O)c2cccc(F)n2)CCS(=O)(=O)C1 ZINC000720844869 685315519 /nfs/dbraw/zinc/31/55/19/685315519.db2.gz KUQQDDBGVGHPAX-LBPRGKRZSA-N 0 0 302.327 0.154 10 0 DCAERN Cn1cc(CNS(=O)(=O)NC2CC2)c(Br)n1 ZINC000720101167 685312443 /nfs/dbraw/zinc/31/24/43/685312443.db2.gz ULZGXVUQBAJULJ-UHFFFAOYSA-N 0 0 309.189 0.269 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@H]1CS(N)(=O)=O)[C@@H]1CCCO1 ZINC000720546331 685312991 /nfs/dbraw/zinc/31/29/91/685312991.db2.gz IGJKGYCKYQRWNV-SRVKXCTJSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720482234 685313269 /nfs/dbraw/zinc/31/32/69/685313269.db2.gz KAOVKXMMABNUDW-VWYCJHECSA-N 0 0 301.412 0.681 10 0 DCAERN CO[C@]1(CNc2ccnc(N(C)C)n2)CCS(=O)(=O)C1 ZINC000721211643 685318580 /nfs/dbraw/zinc/31/85/80/685318580.db2.gz OCIWEZIMZHVVHC-LBPRGKRZSA-N 0 0 300.384 0.158 10 0 DCAERN CO[C@H]1CN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCO1 ZINC000722613789 685319573 /nfs/dbraw/zinc/31/95/73/685319573.db2.gz BIXRVMWBKHGHKU-WDEREUQCSA-N 0 0 300.355 0.827 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000037840315 685056171 /nfs/dbraw/zinc/05/61/71/685056171.db2.gz AOPXLFIHKCEJGF-UHFFFAOYSA-N 0 0 300.384 0.207 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000038106337 685057996 /nfs/dbraw/zinc/05/79/96/685057996.db2.gz HALYMKVHVVYEKS-RQJHMYQMSA-N 0 0 304.133 0.449 10 0 DCAERN Cc1nnc(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1N ZINC000053380152 685060537 /nfs/dbraw/zinc/06/05/37/685060537.db2.gz MLLFEAQTLCEWIJ-QWRGUYRKSA-N 0 0 311.411 0.562 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)N1CCCN(C(=O)C2CC2)CC1 ZINC000158484458 685137233 /nfs/dbraw/zinc/13/72/33/685137233.db2.gz GFVAKXXAGZJNDB-UHFFFAOYSA-N 0 0 317.393 0.626 10 0 DCAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)CSC(C)(C)C ZINC000176555762 685146029 /nfs/dbraw/zinc/14/60/29/685146029.db2.gz AHOVGTOPCSXDKZ-GFCCVEGCSA-N 0 0 304.456 0.670 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)c1 ZINC000190520759 685153787 /nfs/dbraw/zinc/15/37/87/685153787.db2.gz PVNISVKHNKUJTD-ZDUSSCGKSA-N 0 0 314.301 0.583 10 0 DCAERN CC(C)C[C@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000245442917 685156930 /nfs/dbraw/zinc/15/69/30/685156930.db2.gz IJGKNBCEPNFWHJ-QWHCGFSZSA-N 0 0 317.455 0.462 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000245666489 685158014 /nfs/dbraw/zinc/15/80/14/685158014.db2.gz BJVCTIDQLWOZEJ-RWMBFGLXSA-N 0 0 305.378 0.496 10 0 DCAERN Cn1cc([C@@H]2CCN(CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000246966089 685168190 /nfs/dbraw/zinc/16/81/90/685168190.db2.gz JZABDWKBWCVVSD-BDJLRTHQSA-N 0 0 317.393 0.887 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000249509995 685181017 /nfs/dbraw/zinc/18/10/17/685181017.db2.gz ZPMUNEUGGXKKHQ-KBPBESRZSA-N 0 0 308.382 0.097 10 0 DCAERN COC[C@@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@@H](C)O1 ZINC000249948465 685184023 /nfs/dbraw/zinc/18/40/23/685184023.db2.gz USSCINHQBDHHEL-XJFOESAGSA-N 0 0 308.378 0.631 10 0 DCAERN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000251774538 685185598 /nfs/dbraw/zinc/18/55/98/685185598.db2.gz MOXLEWXTNLGGSQ-QWRGUYRKSA-N 0 0 311.411 0.306 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnc(OC)s2)C1 ZINC000380572397 685237866 /nfs/dbraw/zinc/23/78/66/685237866.db2.gz UOKAXYYBDVKNGF-MRVPVSSYSA-N 0 0 320.392 0.725 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1c(Br)nnn1C ZINC000381217187 685238857 /nfs/dbraw/zinc/23/88/57/685238857.db2.gz FRYJXTGINQTCMJ-ZETCQYMHSA-N 0 0 321.175 0.359 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCCS(=O)(=O)CC)on1 ZINC000381823016 685239854 /nfs/dbraw/zinc/23/98/54/685239854.db2.gz VEECFVHTMKVLGP-UHFFFAOYSA-N 0 0 304.324 0.016 10 0 DCAERN C#CCN(C(=S)NC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000054974970 1157783862 /nfs/dbraw/zinc/78/38/62/1157783862.db2.gz GPYKZWOEDSODNV-NEPJUHHUSA-N 0 0 316.448 0.162 10 0 DCAERN CC[C@H](O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307897422 1157915783 /nfs/dbraw/zinc/91/57/83/1157915783.db2.gz BGFBRSIBKPZDPR-VIFPVBQESA-N 0 0 300.380 0.563 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000040220634 1157995986 /nfs/dbraw/zinc/99/59/86/1157995986.db2.gz CJCDELNPCCXGFB-UHFFFAOYSA-N 0 0 318.786 0.693 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cc(F)c(F)cc2N)CC1 ZINC000050017663 1171713832 /nfs/dbraw/zinc/71/38/32/1171713832.db2.gz OTSJAPMDLRLMHL-UHFFFAOYSA-N 0 0 319.333 0.264 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1nnc2ccccc21 ZINC000054814424 1171853245 /nfs/dbraw/zinc/85/32/45/1171853245.db2.gz JMRQPEHRTDYAFZ-ZDUSSCGKSA-N 0 0 301.350 0.511 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)c3cc[nH]c3)c2)NC(=O)NC1=O ZINC000068329906 1173785693 /nfs/dbraw/zinc/78/56/93/1173785693.db2.gz CXVJMOYTUOLQJI-INIZCTEOSA-N 0 0 312.329 0.999 10 0 DCAERN COC(CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC ZINC000075240599 1173931817 /nfs/dbraw/zinc/93/18/17/1173931817.db2.gz ZGAQUIBPSNZBON-UHFFFAOYSA-N 0 0 316.379 0.286 10 0 DCAERN O=C(COc1ccc(Br)cc1F)NC[C@@H](O)CO ZINC000090280616 1175391117 /nfs/dbraw/zinc/39/11/17/1175391117.db2.gz BLAUVUYKXBDOFX-MRVPVSSYSA-N 0 0 322.130 0.436 10 0 DCAERN CS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(F)ccc1N ZINC000090921757 1175440959 /nfs/dbraw/zinc/44/09/59/1175440959.db2.gz QPMXFOYBIDQTAV-NSHDSACASA-N 0 0 318.395 0.968 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000095348935 1175777320 /nfs/dbraw/zinc/77/73/20/1175777320.db2.gz FOJVGXRTSAHCDN-SFYZADRCSA-N 0 0 307.272 0.776 10 0 DCAERN CN(C1CCN(c2ccc3nccn3n2)CC1)S(C)(=O)=O ZINC000095972482 1175843529 /nfs/dbraw/zinc/84/35/29/1175843529.db2.gz IOIFTBYZJGYXGF-UHFFFAOYSA-N 0 0 309.395 0.590 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]1O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000133382530 1177527971 /nfs/dbraw/zinc/52/79/71/1177527971.db2.gz QOBAEDKJRYKJGU-ZIAGYGMSSA-N 0 0 316.357 0.979 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cnccn1 ZINC000243096081 1182659016 /nfs/dbraw/zinc/65/90/16/1182659016.db2.gz IZHQRROXYMOKPN-UHFFFAOYSA-N 0 0 310.313 0.779 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000247306951 1183220495 /nfs/dbraw/zinc/22/04/95/1183220495.db2.gz VDHNEKIWBZAPTJ-DAAZQVBGSA-N 0 0 316.423 0.366 10 0 DCAERN O=C(NCCNC(=O)c1ccc(F)cc1F)c1ccc(=O)[nH]n1 ZINC000169916885 1183623353 /nfs/dbraw/zinc/62/33/53/1183623353.db2.gz NKUPUCKPZJMNSB-UHFFFAOYSA-N 0 0 322.271 0.208 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccsc1 ZINC000175398141 1184089023 /nfs/dbraw/zinc/08/90/23/1184089023.db2.gz DXZNEDWCTKHYJP-SNVBAGLBSA-N 0 0 306.409 0.179 10 0 DCAERN NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cn1nnc2ccccc21 ZINC000177806895 1184297265 /nfs/dbraw/zinc/29/72/65/1184297265.db2.gz SSKVHGNKAGGOMA-WDEREUQCSA-N 0 0 301.350 0.592 10 0 DCAERN COC1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CCOCC1 ZINC000178912249 1185158947 /nfs/dbraw/zinc/15/89/47/1185158947.db2.gz MUAHZOGBWSUTFB-PBWFPOADSA-N 0 0 312.410 0.984 10 0 DCAERN Cc1noc([C@@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000179890406 1185168927 /nfs/dbraw/zinc/16/89/27/1185168927.db2.gz LVWXPKOCGNKLSW-SKDRFNHKSA-N 0 0 311.386 0.258 10 0 DCAERN CC(C)C[C@H](CO)N(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000185348005 1187271361 /nfs/dbraw/zinc/27/13/61/1187271361.db2.gz MEBQQQDSDAVFNZ-SNVBAGLBSA-N 0 0 305.400 0.453 10 0 DCAERN CCC(CC)C(=O)N1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC000185696522 1187310615 /nfs/dbraw/zinc/31/06/15/1187310615.db2.gz NKHJBARGQKWNSC-JTQLQIEISA-N 0 0 312.414 0.587 10 0 DCAERN Cn1cc(C(=O)N2CCC(Cn3cncn3)CC2)ccc1=O ZINC000188199808 1187605515 /nfs/dbraw/zinc/60/55/15/1187605515.db2.gz ZBXKUHNMTIFIIU-UHFFFAOYSA-N 0 0 301.350 0.529 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21 ZINC000192495678 1187961636 /nfs/dbraw/zinc/96/16/36/1187961636.db2.gz OILQNZKQHHKEAB-CYBMUJFWSA-N 0 0 301.350 0.558 10 0 DCAERN CC(=O)N1CCCN(C(=O)COCc2nnc(C)s2)CC1 ZINC000285077974 1188005731 /nfs/dbraw/zinc/00/57/31/1188005731.db2.gz RWYWVXZBPURKGO-UHFFFAOYSA-N 0 0 312.395 0.444 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000400315600 1189987675 /nfs/dbraw/zinc/98/76/75/1189987675.db2.gz ZTWLTNSKCBVNAS-SECBINFHSA-N 0 0 317.798 0.686 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCCCCCO)c(N)c1 ZINC000307896718 1190385154 /nfs/dbraw/zinc/38/51/54/1190385154.db2.gz ACHXZACSDFZNEB-UHFFFAOYSA-N 0 0 300.380 0.565 10 0 DCAERN Cn1cnc(CCNC(=O)c2cnn(C)c2Br)c1 ZINC000313495560 1190396259 /nfs/dbraw/zinc/39/62/59/1190396259.db2.gz PEEXMBLWTPMQEO-UHFFFAOYSA-N 0 0 312.171 0.889 10 0 DCAERN CNC(=O)[C@@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)C(C)C ZINC000588382612 747177339 /nfs/dbraw/zinc/17/73/39/747177339.db2.gz LEMRNUSEZQZCQF-NHYWBVRUSA-N 0 0 321.425 0.575 10 0 DCAERN CC(C)(C)OC(=O)NC/C=C\CNc1ccc2nnnn2n1 ZINC000588432599 747288196 /nfs/dbraw/zinc/28/81/96/747288196.db2.gz XBXMQXMEOGLPOG-PLNGDYQASA-N 0 0 305.342 0.434 10 0 DCAERN O=S(=O)(NCCc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000405207787 747501910 /nfs/dbraw/zinc/50/19/10/747501910.db2.gz ZFSMSPQLGPDNOG-UHFFFAOYSA-N 0 0 319.224 0.883 10 0 DCAERN O=C(N[C@@H]1COC[C@H]1O)c1cc(Cl)ncc1Br ZINC000323283817 749342073 /nfs/dbraw/zinc/34/20/73/749342073.db2.gz OALMPALBIOWWFB-HTQZYQBOSA-N 0 0 321.558 0.987 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NCc2nc(Br)c[nH]2)C1 ZINC000400298022 774027090 /nfs/dbraw/zinc/02/70/90/774027090.db2.gz OCMKCYUBNSFMFU-ZETCQYMHSA-N 0 0 323.216 0.296 10 0 DCAERN NC(=O)CN(C1CCCC1)S(=O)(=O)c1cccnc1F ZINC000401948686 774071985 /nfs/dbraw/zinc/07/19/85/774071985.db2.gz STINOKOFYJOYIY-UHFFFAOYSA-N 0 0 301.343 0.639 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1cccnc1Cl ZINC000404229708 774127167 /nfs/dbraw/zinc/12/71/67/774127167.db2.gz NRMSZOZEBXGDFO-NSHDSACASA-N 0 0 306.771 0.555 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCCc3n[nH]cc3C2)c1Cl ZINC000404691019 774139035 /nfs/dbraw/zinc/13/90/35/774139035.db2.gz PWDXWTCAHAHCQG-UHFFFAOYSA-N 0 0 315.786 0.934 10 0 DCAERN CC[C@H](CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307901663 774140336 /nfs/dbraw/zinc/14/03/36/774140336.db2.gz HBWJTVCPSBLCIL-SECBINFHSA-N 0 0 300.380 0.563 10 0 DCAERN C[C@H](O)CCN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907751 774141685 /nfs/dbraw/zinc/14/16/85/774141685.db2.gz UBUHTWRZTFGIGB-VIFPVBQESA-N 0 0 300.380 0.515 10 0 DCAERN Nc1ncc(S(=O)(=O)NCCOCc2ccccc2)cn1 ZINC000390126635 949109597 /nfs/dbraw/zinc/10/95/97/949109597.db2.gz OXHMSHKOWDFMPT-UHFFFAOYSA-N 0 0 308.363 0.384 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCCOCCF)c(N)c1 ZINC000702562007 950305383 /nfs/dbraw/zinc/30/53/83/950305383.db2.gz GKXCJCZXZAWQDO-UHFFFAOYSA-N 0 0 304.343 0.388 10 0 DCAERN CC(C)N(CC[NH+](C)C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000688173720 954624659 /nfs/dbraw/zinc/62/46/59/954624659.db2.gz NHHYKJJQITZAKY-NSHDSACASA-N 0 0 307.416 0.052 10 0 DCAERN C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694172719 976675129 /nfs/dbraw/zinc/67/51/29/976675129.db2.gz PCVBFEHWPMKDKU-VIFPVBQESA-N 0 0 302.352 0.598 10 0 DCAERN CC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000074612850 185003043 /nfs/dbraw/zinc/00/30/43/185003043.db2.gz LIOLVSQBBBOFSW-WFASDCNBSA-N 0 0 309.414 0.849 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000364126734 290612729 /nfs/dbraw/zinc/61/27/29/290612729.db2.gz KUCOWYIYKAJHLP-DGCLKSJQSA-N 0 0 319.336 0.989 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181257123 199272579 /nfs/dbraw/zinc/27/25/79/199272579.db2.gz LLHJNZPUBRFNOH-LBPRGKRZSA-N 0 0 317.411 0.022 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000188695859 529425674 /nfs/dbraw/zinc/42/56/74/529425674.db2.gz NFBOAVVXTUGRPS-MJBXVCDLSA-N 0 0 320.455 0.825 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)OC ZINC000087562998 185228347 /nfs/dbraw/zinc/22/83/47/185228347.db2.gz QTQJFPMEBLPNPM-SNVBAGLBSA-N 0 0 309.370 0.928 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC2(C)C)c1 ZINC000088592695 185258720 /nfs/dbraw/zinc/25/87/20/185258720.db2.gz DSNWJCXIAPANAP-UHFFFAOYSA-N 0 0 300.384 0.099 10 0 DCAERN COc1cccc(C(=O)NCCCNS(C)(=O)=O)c1F ZINC000090151499 185283821 /nfs/dbraw/zinc/28/38/21/185283821.db2.gz QVLRXUYYWHYPEV-UHFFFAOYSA-N 0 0 304.343 0.503 10 0 DCAERN CCc1nn(C)cc1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000092498331 185322596 /nfs/dbraw/zinc/32/25/96/185322596.db2.gz PAJPVKJKIYWOEX-AWEZNQCLSA-N 0 0 322.409 0.596 10 0 DCAERN Cn1cnc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000092531676 185324486 /nfs/dbraw/zinc/32/44/86/185324486.db2.gz ROLYMEFLFLVRBQ-NSHDSACASA-N 0 0 323.422 0.523 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000092771177 185339469 /nfs/dbraw/zinc/33/94/69/185339469.db2.gz QKQDRXNCODRPOI-WCQYABFASA-N 0 0 311.407 0.725 10 0 DCAERN CNC(=O)NCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189170460 529884809 /nfs/dbraw/zinc/88/48/09/529884809.db2.gz RMYBPQOLABPMOL-UHFFFAOYSA-N 0 0 324.812 0.743 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cc1cccc(OCCOC)c1 ZINC000178507100 529923258 /nfs/dbraw/zinc/92/32/58/529923258.db2.gz PPYOLHUZQQWXDU-OAHLLOKOSA-N 0 0 320.389 0.991 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000179268985 529923586 /nfs/dbraw/zinc/92/35/86/529923586.db2.gz BCDWIAOLKYINPZ-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000176379771 529947746 /nfs/dbraw/zinc/94/77/46/529947746.db2.gz UYXXXMNASJYBAJ-UHFFFAOYSA-N 0 0 314.345 0.414 10 0 DCAERN Cc1cccc2c1ncn(CC(=O)N(C)[C@H]1CCOC1)c2=O ZINC000106843090 185455110 /nfs/dbraw/zinc/45/51/10/185455110.db2.gz HESUKGUYLYCSLN-LBPRGKRZSA-N 0 0 301.346 0.952 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)CC2)o1 ZINC000299357293 530027738 /nfs/dbraw/zinc/02/77/38/530027738.db2.gz ODGFONTWKNZLGV-UHFFFAOYSA-N 0 0 313.379 0.108 10 0 DCAERN Cn1cc(NC(=O)C(C)(C)c2cccnc2)c(=O)n(C)c1=O ZINC000330925155 232167775 /nfs/dbraw/zinc/16/77/75/232167775.db2.gz VLZUBLHYBBRXJC-UHFFFAOYSA-N 0 0 302.334 0.395 10 0 DCAERN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H](CO)NC(N)=O)C2)c1 ZINC000181955045 199367050 /nfs/dbraw/zinc/36/70/50/199367050.db2.gz ZVVGTDSWYMQMQX-GXTWGEPZSA-N 0 0 305.378 0.649 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC(=O)N1C ZINC000286861757 219198941 /nfs/dbraw/zinc/19/89/41/219198941.db2.gz WGJNLTNPONOCRN-NQBHXWOUSA-N 0 0 306.366 0.187 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CNC(=O)C1 ZINC000408120451 295778966 /nfs/dbraw/zinc/77/89/66/295778966.db2.gz WNWCHBNNQIZMBI-GXSJLCMTSA-N 0 0 308.359 0.157 10 0 DCAERN O=C1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1C1CC1 ZINC000074812641 545670629 /nfs/dbraw/zinc/67/06/29/545670629.db2.gz QPLXFVUSEUZMDS-UHFFFAOYSA-N 0 0 312.366 0.962 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3OCCc4ccccc43)CC[C@@H]21 ZINC000286231944 282653629 /nfs/dbraw/zinc/65/36/29/282653629.db2.gz KLRUUAVRFYJTIE-QLFBSQMISA-N 0 0 315.373 0.925 10 0 DCAERN O=C(CNC(=O)c1ccc(Br)o1)NC1(CO)CC1 ZINC000143140295 186033776 /nfs/dbraw/zinc/03/37/76/186033776.db2.gz UOSCYLGGAVAZQD-UHFFFAOYSA-N 0 0 317.139 0.413 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2F)CC1 ZINC000177909275 186202706 /nfs/dbraw/zinc/20/27/06/186202706.db2.gz YSLHAICMKKYUTB-GFCCVEGCSA-N 0 0 323.368 0.679 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000183895046 186228255 /nfs/dbraw/zinc/22/82/55/186228255.db2.gz QVMSFDMPPPVNBC-OAHLLOKOSA-N 0 0 308.382 0.852 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000264251073 186327556 /nfs/dbraw/zinc/32/75/56/186327556.db2.gz BMIQIYHJOYKMIO-STQMWFEESA-N 0 0 307.398 0.629 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000172257861 198066429 /nfs/dbraw/zinc/06/64/29/198066429.db2.gz XMTXGDNFFYOQMF-SNVBAGLBSA-N 0 0 317.798 0.943 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000172372726 198086717 /nfs/dbraw/zinc/08/67/17/198086717.db2.gz ZDJGYKOAFDCTDK-ZETCQYMHSA-N 0 0 320.461 0.928 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000172397047 198091247 /nfs/dbraw/zinc/09/12/47/198091247.db2.gz SSTARNLBPZCEGL-ZDUSSCGKSA-N 0 0 307.398 0.823 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1 ZINC000172352825 198084671 /nfs/dbraw/zinc/08/46/71/198084671.db2.gz KJWKOUJTBINXSD-NEPJUHHUSA-N 0 0 314.411 0.409 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4cc(C)[nH]n4)c3=O)n2n1 ZINC000072465673 191174170 /nfs/dbraw/zinc/17/41/70/191174170.db2.gz SJZHLDGXQKPWFY-UHFFFAOYSA-N 0 0 311.305 0.606 10 0 DCAERN CC(=O)NCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172711921 198140473 /nfs/dbraw/zinc/14/04/73/198140473.db2.gz HWGOCHCPQMZSFB-HIFRSBDPSA-N 0 0 318.377 0.243 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)[nH]1 ZINC000173554251 198225827 /nfs/dbraw/zinc/22/58/27/198225827.db2.gz OFWPSGWPSHDYKD-GFCCVEGCSA-N 0 0 318.381 0.781 10 0 DCAERN CCc1nc(C2(NCCCN3C(=O)CNC3=O)CCCC2)no1 ZINC000173695209 198241716 /nfs/dbraw/zinc/24/17/16/198241716.db2.gz MJUWTZJBOUTRFG-UHFFFAOYSA-N 0 0 321.381 0.933 10 0 DCAERN CN(C(=O)Cc1cc[nH]n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173786764 198252431 /nfs/dbraw/zinc/25/24/31/198252431.db2.gz GJCBAYILTSTAES-CYBMUJFWSA-N 0 0 300.366 0.870 10 0 DCAERN COc1ncccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173861906 198262288 /nfs/dbraw/zinc/26/22/88/198262288.db2.gz OFGFQJUFHXEVGC-GXTWGEPZSA-N 0 0 305.378 0.883 10 0 DCAERN C[NH+](C)[C@@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000173977613 198275016 /nfs/dbraw/zinc/27/50/16/198275016.db2.gz VHACSYKJLVABQX-OAHLLOKOSA-N 0 0 317.437 0.366 10 0 DCAERN CNC(=O)CC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000408317170 290362957 /nfs/dbraw/zinc/36/29/57/290362957.db2.gz FRSXFPOFTDDDDN-UHFFFAOYSA-N 0 0 302.396 0.082 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2ccccc2C=O)C[C@H]1C ZINC000174355212 198324141 /nfs/dbraw/zinc/32/41/41/198324141.db2.gz YWHZBCSKIMTRLM-ZIAGYGMSSA-N 0 0 320.389 0.791 10 0 DCAERN COC(=O)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000174472864 198338386 /nfs/dbraw/zinc/33/83/86/198338386.db2.gz LWOVSIRCVCOYBU-KBPBESRZSA-N 0 0 306.362 0.738 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)NCCNC(=O)c1ccccc1 ZINC000182150336 199393824 /nfs/dbraw/zinc/39/38/24/199393824.db2.gz XVTWLPZXEGHWGH-WSVYEEACSA-N 0 0 311.407 0.483 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000174852759 198393585 /nfs/dbraw/zinc/39/35/85/198393585.db2.gz OWGZYNMIJXFELD-GXSJLCMTSA-N 0 0 300.384 0.401 10 0 DCAERN CCOc1ccc(S(=O)(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000074773763 191357811 /nfs/dbraw/zinc/35/78/11/191357811.db2.gz RAEDGJSSTJERKH-ZDUSSCGKSA-N 0 0 314.407 0.694 10 0 DCAERN CN(C(=O)c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCS(=O)(=O)C1 ZINC000074952983 191394406 /nfs/dbraw/zinc/39/44/06/191394406.db2.gz DUHXGGHBHSILRG-SNVBAGLBSA-N 0 0 324.358 0.277 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N(C)Cc1ccccc1)[C@H](C)CO ZINC000077782792 191774011 /nfs/dbraw/zinc/77/40/11/191774011.db2.gz MKBIJDJJJRWMQZ-CHWSQXEVSA-N 0 0 307.394 0.961 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(C(=O)OC)CC2)c1 ZINC000081685239 192313242 /nfs/dbraw/zinc/31/32/42/192313242.db2.gz WAEVKVGGAIALTQ-UHFFFAOYSA-N 0 0 301.368 0.477 10 0 DCAERN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(=O)N1 ZINC000408373350 291108751 /nfs/dbraw/zinc/10/87/51/291108751.db2.gz KZCIGZIDCPRKCV-ONGXEEELSA-N 0 0 316.361 0.981 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000177953353 198793867 /nfs/dbraw/zinc/79/38/67/198793867.db2.gz MHVVSWAXNNFTLV-CYBMUJFWSA-N 0 0 316.361 0.081 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1=O ZINC000293155167 283243977 /nfs/dbraw/zinc/24/39/77/283243977.db2.gz UMDADVKGPZFPIS-SNVBAGLBSA-N 0 0 301.346 0.877 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178326799 198850230 /nfs/dbraw/zinc/85/02/30/198850230.db2.gz CBNRSNKJILWKGD-GUYCJALGSA-N 0 0 317.389 0.965 10 0 DCAERN C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000350629660 295943866 /nfs/dbraw/zinc/94/38/66/295943866.db2.gz QOQRPQOZBWITSS-VIFPVBQESA-N 0 0 300.355 0.651 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000106921552 283276096 /nfs/dbraw/zinc/27/60/96/283276096.db2.gz SVTCPNMLIYPEOF-RYUDHWBXSA-N 0 0 306.428 0.732 10 0 DCAERN COc1n[nH]c(NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)n1 ZINC000179371490 199023390 /nfs/dbraw/zinc/02/33/90/199023390.db2.gz OWBJQOJDPRYMQG-UHFFFAOYSA-N 0 0 306.326 0.755 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000179659704 199071293 /nfs/dbraw/zinc/07/12/93/199071293.db2.gz BHMWKGPKYOVLNH-JTQLQIEISA-N 0 0 309.391 0.596 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1cccc2ccccc21 ZINC000180270472 199140105 /nfs/dbraw/zinc/14/01/05/199140105.db2.gz OOGYBGRDSZSQCP-CQSZACIVSA-N 0 0 314.341 0.931 10 0 DCAERN COCc1ccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)o1 ZINC000180650300 199190494 /nfs/dbraw/zinc/19/04/94/199190494.db2.gz LADUSZUCDUHMML-GXFFZTMASA-N 0 0 310.350 0.792 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NCc1ccc(Cl)cn1 ZINC000180710716 199200335 /nfs/dbraw/zinc/20/03/35/199200335.db2.gz DYHCBSZBHGMRSI-UHFFFAOYSA-N 0 0 305.787 0.969 10 0 DCAERN CCCN(CCO)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000180767226 199206106 /nfs/dbraw/zinc/20/61/06/199206106.db2.gz IUPQBGNBUXFKGV-ZFWWWQNUSA-N 0 0 305.378 0.832 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cn1C ZINC000180969270 199235082 /nfs/dbraw/zinc/23/50/82/199235082.db2.gz SQFWNDICPVJSTJ-GFCCVEGCSA-N 0 0 324.410 0.421 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)NCc1ccc(Cl)cn1 ZINC000181100679 199252806 /nfs/dbraw/zinc/25/28/06/199252806.db2.gz BKAAZBABDZSIKA-UHFFFAOYSA-N 0 0 305.787 0.921 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)CN1CC(=O)NC1=O)[C@H](C)C2 ZINC000181113116 199254022 /nfs/dbraw/zinc/25/40/22/199254022.db2.gz JBVDCVXVMFLEOA-MEBBXXQBSA-N 0 0 301.346 0.896 10 0 DCAERN COCC[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181167612 199259402 /nfs/dbraw/zinc/25/94/02/199259402.db2.gz LYEPTUZBOBOMBV-JTQLQIEISA-N 0 0 317.411 0.430 10 0 DCAERN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)N1CCC1 ZINC000073521576 283394998 /nfs/dbraw/zinc/39/49/98/283394998.db2.gz QBVNHEQHZMXOJS-UHFFFAOYSA-N 0 0 311.301 0.934 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000172442428 237150446 /nfs/dbraw/zinc/15/04/46/237150446.db2.gz RKORACBLRUVVSD-MGPQQGTHSA-N 0 0 321.421 0.795 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)[C@H](C)CO1 ZINC000172961749 237152814 /nfs/dbraw/zinc/15/28/14/237152814.db2.gz RBWXLSTZMTVRBA-CHWSQXEVSA-N 0 0 313.423 0.910 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657612 291185773 /nfs/dbraw/zinc/18/57/73/291185773.db2.gz VDHSEVFOTHEYCJ-RDDDGLTNSA-N 0 0 304.318 0.910 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ncncc1Cl ZINC000176019113 237193326 /nfs/dbraw/zinc/19/33/26/237193326.db2.gz KXBZCRFOYXCAJG-QMMMGPOBSA-N 0 0 300.771 0.733 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)o1 ZINC000187344992 200099317 /nfs/dbraw/zinc/09/93/17/200099317.db2.gz WZCBKICBCLAXOA-VIFPVBQESA-N 0 0 316.379 0.875 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186828873 237327658 /nfs/dbraw/zinc/32/76/58/237327658.db2.gz DIESNJLVTVBDAU-RYUDHWBXSA-N 0 0 306.362 0.635 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCS[C@@H](C)C1 ZINC000281035649 216036404 /nfs/dbraw/zinc/03/64/04/216036404.db2.gz WWFPZGOQTULEGN-SWLSCSKDSA-N 0 0 310.419 0.872 10 0 DCAERN O=C(N[C@H](CCO)c1ccco1)c1cc2c(=O)[nH]cnc2cn1 ZINC000188264366 237370551 /nfs/dbraw/zinc/37/05/51/237370551.db2.gz MMBFEIWPOUOBTH-SNVBAGLBSA-N 0 0 314.301 0.765 10 0 DCAERN CCn1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)ccc1=O ZINC000187131975 237341869 /nfs/dbraw/zinc/34/18/69/237341869.db2.gz NCDMLWZAXCKBDK-LBPRGKRZSA-N 0 0 308.382 0.399 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)cn1 ZINC000189933580 237418089 /nfs/dbraw/zinc/41/80/89/237418089.db2.gz DPQPOWKMGCJSEH-ZWNOBZJWSA-N 0 0 306.366 0.776 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCCSCC1 ZINC000281076884 216063931 /nfs/dbraw/zinc/06/39/31/216063931.db2.gz FPUMONVLWDKYCZ-UHFFFAOYSA-N 0 0 304.393 0.815 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2OCCc3ccccc32)[C@@H]1C(N)=O ZINC000285203710 291202021 /nfs/dbraw/zinc/20/20/21/291202021.db2.gz DVAADIZAWPIPFS-SWHYSGLUSA-N 0 0 304.346 0.402 10 0 DCAERN C[C@@]1(C(=O)N2CCO[C@H](Cn3cccn3)C2)CCC(=O)NC1 ZINC000281135348 216103622 /nfs/dbraw/zinc/10/36/22/216103622.db2.gz DINJNPQCURJNDK-SWLSCSKDSA-N 0 0 306.366 0.027 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)c1 ZINC000281145022 216109583 /nfs/dbraw/zinc/10/95/83/216109583.db2.gz FAPSZTSRWAYENE-CJNGLKHVSA-N 0 0 320.393 0.335 10 0 DCAERN CC[C@H]1CN(CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687521 291208254 /nfs/dbraw/zinc/20/82/54/291208254.db2.gz AFFOSWPNFCLMPQ-NSHDSACASA-N 0 0 313.414 0.587 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CCc2ccccc2)CCN1CCO ZINC000188731829 200295868 /nfs/dbraw/zinc/29/58/68/200295868.db2.gz DSNRRNSXSVOHHW-AWEZNQCLSA-N 0 0 312.435 0.557 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCN1CCO ZINC000188730564 200296303 /nfs/dbraw/zinc/29/63/03/200296303.db2.gz UAQQXHJAJRIAAX-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000154032773 291210318 /nfs/dbraw/zinc/21/03/18/291210318.db2.gz TXDLMNITBSWUEB-NWDGAFQWSA-N 0 0 313.361 0.993 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC[C@@H]1C ZINC000154396671 291213827 /nfs/dbraw/zinc/21/38/27/291213827.db2.gz OKSWJJWEKKAORD-QWRGUYRKSA-N 0 0 305.382 0.986 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000154396881 291213873 /nfs/dbraw/zinc/21/38/73/291213873.db2.gz OKSWJJWEKKAORD-WDEREUQCSA-N 0 0 305.382 0.986 10 0 DCAERN Cn1c2cccc(C(=O)NCCCN3CCCC3=O)c2oc1=O ZINC000154983418 291217693 /nfs/dbraw/zinc/21/76/93/291217693.db2.gz ZGXBCXZLCBTDIU-UHFFFAOYSA-N 0 0 317.345 0.874 10 0 DCAERN CN(C)c1ncc(NC(=O)NCCNC(=O)C(C)(C)C)cn1 ZINC000154937159 291216686 /nfs/dbraw/zinc/21/66/86/291216686.db2.gz IYFVGVPKHNQPNH-UHFFFAOYSA-N 0 0 308.386 0.826 10 0 DCAERN COCCCOC1CN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000155334878 291219015 /nfs/dbraw/zinc/21/90/15/291219015.db2.gz HRWTUVAJJSQYDH-LBPRGKRZSA-N 0 0 306.428 0.700 10 0 DCAERN COCCCOc1cccc(CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000155807073 291221750 /nfs/dbraw/zinc/22/17/50/291221750.db2.gz MPSOCVMLQLRMKE-ZDUSSCGKSA-N 0 0 306.362 0.854 10 0 DCAERN Cn1c2ncn(Cc3cnc4ccccn34)c2c(=O)n(C)c1=O ZINC000155873529 291222302 /nfs/dbraw/zinc/22/23/02/291222302.db2.gz NYYCCQIEBYIABN-UHFFFAOYSA-N 0 0 310.317 0.130 10 0 DCAERN COC(=O)c1ccccc1CS(=O)(=O)NCc1ccnn1C ZINC000156388468 291224663 /nfs/dbraw/zinc/22/46/63/291224663.db2.gz MJLVPQJMMNALAW-UHFFFAOYSA-N 0 0 323.374 0.826 10 0 DCAERN COCCc1cc(NC(=O)CS(=O)(=O)CC(C)C)n(C)n1 ZINC000156842419 291226086 /nfs/dbraw/zinc/22/60/86/291226086.db2.gz IABVYOSLHWZWIE-UHFFFAOYSA-N 0 0 317.411 0.618 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246694290 238160152 /nfs/dbraw/zinc/16/01/52/238160152.db2.gz MYOHLLWHGFNYPE-RWMBFGLXSA-N 0 0 306.428 0.194 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408386347 283592192 /nfs/dbraw/zinc/59/21/92/283592192.db2.gz OXJRLQFVCAELEN-SECBINFHSA-N 0 0 320.802 0.363 10 0 DCAERN CCC[C@@H](C(=O)NCCCN(C)S(=O)(=O)CC)[NH+](C)C ZINC000161589683 291242340 /nfs/dbraw/zinc/24/23/40/291242340.db2.gz OJICWLUZVZYLMW-LBPRGKRZSA-N 0 0 307.460 0.505 10 0 DCAERN CSCCCCNC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000161920836 291242613 /nfs/dbraw/zinc/24/26/13/291242613.db2.gz JHVBUGYLNFOADQ-UHFFFAOYSA-N 0 0 307.379 0.701 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCc3ccnn3C)no2)c1 ZINC000163048966 291245645 /nfs/dbraw/zinc/24/56/45/291245645.db2.gz YRXBOTAELXULMZ-UHFFFAOYSA-N 0 0 300.322 0.891 10 0 DCAERN O=C1CNC(=O)N1CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275933292 238315524 /nfs/dbraw/zinc/31/55/24/238315524.db2.gz KTCRHBGOGMTLBB-ZDUSSCGKSA-N 0 0 317.393 0.977 10 0 DCAERN Cc1ncc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c(C)n1 ZINC000276855149 238327571 /nfs/dbraw/zinc/32/75/71/238327571.db2.gz ZWGWKZCKMFAYAS-CQSZACIVSA-N 0 0 314.393 0.956 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC2(CO)CCC2)cc1 ZINC000169023654 291249230 /nfs/dbraw/zinc/24/92/30/291249230.db2.gz QQJMDSHBRLCZTE-UHFFFAOYSA-N 0 0 313.375 0.595 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000374958207 299334079 /nfs/dbraw/zinc/33/40/79/299334079.db2.gz ZQKCLKSOWBQLIV-QWRGUYRKSA-N 0 0 304.412 0.342 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000408356738 239266262 /nfs/dbraw/zinc/26/62/62/239266262.db2.gz RWZHEHPNGBIJRO-MXWKQRLJSA-N 0 0 306.370 0.456 10 0 DCAERN CCOc1cc(C(=O)N2CCC(N3CN=NC3=O)CC2)on1 ZINC000566924669 291329626 /nfs/dbraw/zinc/32/96/26/291329626.db2.gz SPUBKLUKHDGJEJ-UHFFFAOYSA-N 0 0 307.310 0.848 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000567025947 291333639 /nfs/dbraw/zinc/33/36/39/291333639.db2.gz MABUTNBJHJSBRD-LXXZJREESA-N 0 0 305.440 0.384 10 0 DCAERN COCCS(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000275352482 212285467 /nfs/dbraw/zinc/28/54/67/212285467.db2.gz UEQGTWFCCNLGMP-NWDGAFQWSA-N 0 0 303.384 0.206 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCNC(=O)C3)ccc2o1 ZINC000091196870 193016577 /nfs/dbraw/zinc/01/65/77/193016577.db2.gz LVCOLFAWNPCTPX-UHFFFAOYSA-N 0 0 302.290 0.033 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000091190804 193016603 /nfs/dbraw/zinc/01/66/03/193016603.db2.gz JLJBQOOFCKFDAQ-UHFFFAOYSA-N 0 0 318.333 0.717 10 0 DCAERN COc1ccccc1C[C@H](C)CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780563 193106908 /nfs/dbraw/zinc/10/69/08/193106908.db2.gz PNWKOXSJJUZDHC-GXTWGEPZSA-N 0 0 320.389 0.977 10 0 DCAERN COc1ccccc1/C(C)=C/C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784745 193107496 /nfs/dbraw/zinc/10/74/96/193107496.db2.gz LKHAQAMVBZRAAX-YGNAEDSMSA-N 0 0 304.346 0.811 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783572 193107619 /nfs/dbraw/zinc/10/76/19/193107619.db2.gz IWHRSGNHOPAPID-SKDRFNHKSA-N 0 0 312.753 0.820 10 0 DCAERN COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091783043 193107998 /nfs/dbraw/zinc/10/79/98/193107998.db2.gz XKSTZBJHRDANCI-YPMHNXCESA-N 0 0 306.362 0.902 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)Nc1nccs1 ZINC000091840918 193116290 /nfs/dbraw/zinc/11/62/90/193116290.db2.gz AXZNSEKNHSVTCB-ZJUUUORDSA-N 0 0 324.406 0.749 10 0 DCAERN C[C@H](c1nccs1)N(C)C(=O)C1CCN(CC(N)=O)CC1 ZINC000091943404 193129966 /nfs/dbraw/zinc/12/99/66/193129966.db2.gz RRZFZILFMNSHRY-SNVBAGLBSA-N 0 0 310.423 0.860 10 0 DCAERN Cc1cc(CNC(=O)NC[C@@H](O)Cn2ccnn2)ccc1F ZINC000457579725 241015591 /nfs/dbraw/zinc/01/55/91/241015591.db2.gz OBWWDJJYBQJQGG-GFCCVEGCSA-N 0 0 307.329 0.586 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N(C)Cc1ncnn1CC(F)F ZINC000486966007 241077133 /nfs/dbraw/zinc/07/71/33/241077133.db2.gz KFOBPANTLGKFSF-VIFPVBQESA-N 0 0 323.369 0.704 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000281959903 216658019 /nfs/dbraw/zinc/65/80/19/216658019.db2.gz VBGYXXSTABVFML-GWCFXTLKSA-N 0 0 305.382 0.543 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C)[nH]c(=O)c2)n1 ZINC000275259849 212229501 /nfs/dbraw/zinc/22/95/01/212229501.db2.gz CXRXLWLZGWOIIE-GHMZBOCLSA-N 0 0 304.306 0.735 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000092228491 193176247 /nfs/dbraw/zinc/17/62/47/193176247.db2.gz ARUFTNFZRBNGSK-LLVKDONJSA-N 0 0 315.732 0.604 10 0 DCAERN Cn1c(CN2CCOC[C@H]2C(N)=O)nc2cc(Cl)ccc21 ZINC000092229280 193177191 /nfs/dbraw/zinc/17/71/91/193177191.db2.gz ZIOVCBRCWIQVLU-LBPRGKRZSA-N 0 0 308.769 0.913 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(F)cc1Cl ZINC000092229408 193177337 /nfs/dbraw/zinc/17/73/37/193177337.db2.gz IZEMVCLTIPZFSS-NSHDSACASA-N 0 0 315.732 0.604 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC000191870932 284040489 /nfs/dbraw/zinc/04/04/89/284040489.db2.gz VMGOUPUGANBXNX-MRVWCRGKSA-N 0 0 310.394 0.903 10 0 DCAERN COC[C@@H]1CCN1C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000568796022 291447627 /nfs/dbraw/zinc/44/76/27/291447627.db2.gz OTZHNXIILXSFKF-MQIPJXDCSA-N 0 0 323.393 0.734 10 0 DCAERN CN(C)C(=O)COc1ccccc1CN1CCNC(=O)CC1 ZINC000093101750 193203110 /nfs/dbraw/zinc/20/31/10/193203110.db2.gz OJMIDFUHEHEHSU-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163711538 284161009 /nfs/dbraw/zinc/16/10/09/284161009.db2.gz GUBJCZCRWLHFSG-NWDGAFQWSA-N 0 0 314.345 0.940 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC000276213327 284204944 /nfs/dbraw/zinc/20/49/44/284204944.db2.gz CIHBCSITCOGXEE-QKCSRTOESA-N 0 0 304.346 0.799 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NCC3(C)COC3)CC2)n1 ZINC000264786010 204154553 /nfs/dbraw/zinc/15/45/53/204154553.db2.gz ALOZZKWIYJYSBQ-UHFFFAOYSA-N 0 0 321.381 0.353 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000264773284 204144920 /nfs/dbraw/zinc/14/49/20/204144920.db2.gz OMCHEEUCURIRMZ-NEPJUHHUSA-N 0 0 305.382 0.482 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000408156939 284312583 /nfs/dbraw/zinc/31/25/83/284312583.db2.gz FFAREHJZWAOPNZ-OLZOCXBDSA-N 0 0 308.378 0.799 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000282709560 217193569 /nfs/dbraw/zinc/19/35/69/217193569.db2.gz YLLVWEVCNMTDNC-RQJHMYQMSA-N 0 0 306.775 0.019 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266108575 205102733 /nfs/dbraw/zinc/10/27/33/205102733.db2.gz MGPSBKJCNUSWTE-QWHCGFSZSA-N 0 0 316.357 0.980 10 0 DCAERN COC(=O)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015789697 182017901 /nfs/dbraw/zinc/01/79/01/182017901.db2.gz IJSYEVORKYEYML-UHFFFAOYSA-N 0 0 322.336 0.967 10 0 DCAERN CCN(C1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1)S(C)(=O)=O ZINC000153621375 284375252 /nfs/dbraw/zinc/37/52/52/284375252.db2.gz OYHWKGFJYJEFSI-AAEUAGOBSA-N 0 0 318.439 0.826 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408062198 291625460 /nfs/dbraw/zinc/62/54/60/291625460.db2.gz MCIHZBASFFZRME-HXNLIRTISA-N 0 0 308.378 0.701 10 0 DCAERN O=C(c1ccc(Cl)nc1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000037984052 182953584 /nfs/dbraw/zinc/95/35/84/182953584.db2.gz CGJTVMDNNABVLB-JTQLQIEISA-N 0 0 318.782 0.357 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2ccnc(Cl)c2)CC1 ZINC000038008413 182960779 /nfs/dbraw/zinc/96/07/79/182960779.db2.gz BCEVIKCERDGDLZ-UHFFFAOYSA-N 0 0 303.771 0.588 10 0 DCAERN O=S(=O)(c1ccnc(Cl)c1)N1CCN(CCO)CC1 ZINC000038008739 182961060 /nfs/dbraw/zinc/96/10/60/182961060.db2.gz YKFSGIQVHDFURP-UHFFFAOYSA-N 0 0 305.787 0.034 10 0 DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000042483736 183276066 /nfs/dbraw/zinc/27/60/66/183276066.db2.gz MFICKMKEUQQLNE-SECBINFHSA-N 0 0 308.787 0.550 10 0 DCAERN CS(=O)(=O)c1cc(N)cc(C(=O)N2CCSCC2)c1 ZINC000042805534 183310854 /nfs/dbraw/zinc/31/08/54/183310854.db2.gz MDPKKUDTEHXBEH-UHFFFAOYSA-N 0 0 300.405 0.861 10 0 DCAERN CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(C)(CO)C3)cc21 ZINC000574465252 291697208 /nfs/dbraw/zinc/69/72/08/291697208.db2.gz HOWDHFVPGFJYQK-UHFFFAOYSA-N 0 0 324.402 0.599 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)cc21 ZINC000274114712 211366874 /nfs/dbraw/zinc/36/68/74/211366874.db2.gz FZEMLHUNXAJEIJ-LLVKDONJSA-N 0 0 322.390 0.618 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)NC1(CO)CC1 ZINC000574475604 291697858 /nfs/dbraw/zinc/69/78/58/291697858.db2.gz QBPXYQOUOSUCJB-UHFFFAOYSA-N 0 0 304.350 0.261 10 0 DCAERN CCc1cc(CNC(=O)C(=O)NCc2cnc(C)s2)on1 ZINC000574506369 291699085 /nfs/dbraw/zinc/69/90/85/291699085.db2.gz RPRGAGHAKNUOMU-UHFFFAOYSA-N 0 0 308.363 0.935 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(OC)ccc1OC ZINC000104357896 194001450 /nfs/dbraw/zinc/00/14/50/194001450.db2.gz COMSJTUPVVMABQ-ZDUSSCGKSA-N 0 0 306.362 0.983 10 0 DCAERN Cc1ccc(NCCCNC(=O)NC[C@H]2CN(C)CCO2)nc1 ZINC000104797627 194041844 /nfs/dbraw/zinc/04/18/44/194041844.db2.gz VMHNEUZNBLXGSL-AWEZNQCLSA-N 0 0 321.425 0.822 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccc(C(N)=O)c(F)c1)N1CCOCC1 ZINC000105342060 194098442 /nfs/dbraw/zinc/09/84/42/194098442.db2.gz UEAKJYPYOOXPPT-JTQLQIEISA-N 0 0 324.356 0.767 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CCN(C3CC3)CC2)CCC1 ZINC000574853911 291719293 /nfs/dbraw/zinc/71/92/93/291719293.db2.gz VGIZKTMKYJNKAW-UHFFFAOYSA-N 0 0 316.423 0.440 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105810352 194133425 /nfs/dbraw/zinc/13/34/25/194133425.db2.gz VXPLNWAJBMXIFI-UHFFFAOYSA-N 0 0 319.409 0.678 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)c3cnn(C)c3)C2)c1 ZINC000105860415 194148806 /nfs/dbraw/zinc/14/88/06/194148806.db2.gz JEUPLTCTBYQVLQ-ZDUSSCGKSA-N 0 0 301.350 0.971 10 0 DCAERN CCCNC(=O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000105868364 194151441 /nfs/dbraw/zinc/15/14/41/194151441.db2.gz JIBZQBFQMSGUIZ-UHFFFAOYSA-N 0 0 307.398 0.524 10 0 DCAERN CC(C)CNC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869060 194152025 /nfs/dbraw/zinc/15/20/25/194152025.db2.gz JYWMTJIYRLITMS-UHFFFAOYSA-N 0 0 307.442 0.700 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(Cc2nc(N)nc(N)n2)C1 ZINC000105896762 194162331 /nfs/dbraw/zinc/16/23/31/194162331.db2.gz ZJOKIQBYLTUQEO-SNVBAGLBSA-N 0 0 302.386 0.632 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000105898541 194163958 /nfs/dbraw/zinc/16/39/58/194163958.db2.gz PRUNDFIYBGWCAG-NEPJUHHUSA-N 0 0 308.386 0.538 10 0 DCAERN COC(=O)N[C@H](CC(C)C)C(=O)NCc1nncn1C1CC1 ZINC000106450658 194215503 /nfs/dbraw/zinc/21/55/03/194215503.db2.gz IHPYZTFPVXAPDA-LLVKDONJSA-N 0 0 309.370 1.000 10 0 DCAERN COc1ccc(C[C@@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1OC ZINC000106692414 194243864 /nfs/dbraw/zinc/24/38/64/194243864.db2.gz HFXJQQBFARNFLZ-ZYHUDNBSSA-N 0 0 306.362 0.887 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000106758915 194249783 /nfs/dbraw/zinc/24/97/83/194249783.db2.gz YOUPUFNJEDBTBL-CABCVRRESA-N 0 0 323.437 0.614 10 0 DCAERN CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814598 194289885 /nfs/dbraw/zinc/28/98/85/194289885.db2.gz CROWIYQORCZDST-CYBMUJFWSA-N 0 0 318.377 0.569 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000109940008 194299860 /nfs/dbraw/zinc/29/98/60/194299860.db2.gz GHRUTMJCWMGZSO-YUMQZZPRSA-N 0 0 307.272 0.776 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000110634597 194344994 /nfs/dbraw/zinc/34/49/94/194344994.db2.gz HLOFZQBSOSLKCV-GHMZBOCLSA-N 0 0 306.395 0.908 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000111050342 194387669 /nfs/dbraw/zinc/38/76/69/194387669.db2.gz QCBWVBJLTGXMNW-UONOGXRCSA-N 0 0 303.362 0.159 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408338277 291774019 /nfs/dbraw/zinc/77/40/19/291774019.db2.gz YTVOVZSZCBOSSH-DCAQKATOSA-N 0 0 322.427 0.111 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)ncn1 ZINC000301767269 229879470 /nfs/dbraw/zinc/87/94/70/229879470.db2.gz BVWSQFCEKKKCFZ-AWEZNQCLSA-N 0 0 319.409 0.154 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)Nc1ccc2c(c1)CCN2 ZINC000063143632 184273890 /nfs/dbraw/zinc/27/38/90/184273890.db2.gz JHUCSCPPKDRKSG-UHFFFAOYSA-N 0 0 304.393 0.441 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc2c(n1)CCC2 ZINC000333619935 252744868 /nfs/dbraw/zinc/74/48/68/252744868.db2.gz GDMMXCFYKBTGEK-NSHDSACASA-N 0 0 324.406 0.855 10 0 DCAERN O=S(=O)(NCCN1CCC(O)CC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333112466 285040394 /nfs/dbraw/zinc/04/03/94/285040394.db2.gz FFRNXGMQTBOQLT-DYEKYZERSA-N 0 0 302.440 0.551 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000339717574 253133249 /nfs/dbraw/zinc/13/32/49/253133249.db2.gz YJNKBFDPSPWIQE-JQWIXIFHSA-N 0 0 304.412 0.661 10 0 DCAERN CCS(=O)(=O)c1ccccc1NC[C@H](C)S(N)(=O)=O ZINC000341537873 253391363 /nfs/dbraw/zinc/39/13/63/253391363.db2.gz WVKCAUSDUKBDJJ-VIFPVBQESA-N 0 0 306.409 0.569 10 0 DCAERN O=C(Cc1ccncc1)N1CCN(c2cncc3ncnn32)CC1 ZINC000272887631 210276686 /nfs/dbraw/zinc/27/66/86/210276686.db2.gz XDWJAIQRKFONMK-UHFFFAOYSA-N 0 0 323.360 0.411 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000345517067 253936608 /nfs/dbraw/zinc/93/66/08/253936608.db2.gz HDBNEADYIZCDKT-VXGBXAGGSA-N 0 0 320.349 0.450 10 0 DCAERN CN(C[C@H](O)CO)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000271304094 208796394 /nfs/dbraw/zinc/79/63/94/208796394.db2.gz SZNRDGZYUQIBEA-RWMBFGLXSA-N 0 0 307.346 0.373 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)CC2 ZINC000114976792 220442338 /nfs/dbraw/zinc/44/23/38/220442338.db2.gz IEXJPIOAKSGHSN-UTUOFQBUSA-N 0 0 307.398 0.758 10 0 DCAERN NC(=O)[C@H]1C[C@H](F)CN1C(=O)c1cccc(Cn2ccnc2)c1 ZINC000347267700 254143361 /nfs/dbraw/zinc/14/33/61/254143361.db2.gz UDFJQPWAYLZZGI-UONOGXRCSA-N 0 0 316.336 0.969 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)CCOCc2ccccc2)C1 ZINC000347669581 254177162 /nfs/dbraw/zinc/17/71/62/254177162.db2.gz FCHYJHKMJKCXSB-INIZCTEOSA-N 0 0 306.362 0.432 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N[C@H](CO)CN1CCOCC1 ZINC000351484110 254338550 /nfs/dbraw/zinc/33/85/50/254338550.db2.gz QOMBMPCCOWIRSF-HIFRSBDPSA-N 0 0 314.426 0.581 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1[C@H]1COc2ccc(F)cc2C1 ZINC000288689029 296398408 /nfs/dbraw/zinc/39/84/08/296398408.db2.gz JSFBARLTNBCLOE-ABAIWWIYSA-N 0 0 306.293 0.840 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000451891362 296406849 /nfs/dbraw/zinc/40/68/49/296406849.db2.gz OIIHWHACJIEYBW-VXGBXAGGSA-N 0 0 324.468 0.615 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000556731758 288388819 /nfs/dbraw/zinc/38/88/19/288388819.db2.gz WUJIQOSQUBKPSD-NWDGAFQWSA-N 0 0 306.366 0.594 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)CC(C)(C)O1 ZINC000408027575 285301832 /nfs/dbraw/zinc/30/18/32/285301832.db2.gz OHGUNKKBQHCVPW-RYUDHWBXSA-N 0 0 307.412 0.621 10 0 DCAERN COCCO[C@@H]1CCN(CC(=O)N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000248046064 257109250 /nfs/dbraw/zinc/10/92/50/257109250.db2.gz WIMSZNOUDYQWSZ-HUUCEWRRSA-N 0 0 324.425 0.157 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)c2cnccn2)C3)n1 ZINC000248000899 257111685 /nfs/dbraw/zinc/11/16/85/257111685.db2.gz FVVCDGKAMXDYAV-HZMBPMFUSA-N 0 0 301.306 0.208 10 0 DCAERN Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2ccncn2)C3)o1 ZINC000248000699 257112346 /nfs/dbraw/zinc/11/23/46/257112346.db2.gz FMRQZYCUTHHSQY-HZMBPMFUSA-N 0 0 301.306 0.208 10 0 DCAERN CN(C)C(=O)CO[C@@H]1CN(Cc2cccnc2)[C@H]2COC[C@H]21 ZINC000247955941 257113043 /nfs/dbraw/zinc/11/30/43/257113043.db2.gz CVCBQRXFCYRPHV-QLFBSQMISA-N 0 0 305.378 0.386 10 0 DCAERN CS(=O)(=O)N[C@@H]1CN(Cc2nccs2)[C@H]2CCCO[C@@H]12 ZINC000247549567 257119117 /nfs/dbraw/zinc/11/91/17/257119117.db2.gz VNNVAXSGDLVYMA-SCVCMEIPSA-N 0 0 317.436 0.424 10 0 DCAERN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 ZINC000122287699 195429609 /nfs/dbraw/zinc/42/96/09/195429609.db2.gz FIDDHZJADZNKKJ-JTQLQIEISA-N 0 0 323.374 0.846 10 0 DCAERN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC000267589327 285394504 /nfs/dbraw/zinc/39/45/04/285394504.db2.gz KPHPKXHNAUTVAX-PWSUYJOCSA-N 0 0 308.382 0.288 10 0 DCAERN C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155245007 533270945 /nfs/dbraw/zinc/27/09/45/533270945.db2.gz PLQHTOIRWUZOTK-RYUDHWBXSA-N 0 0 318.439 0.179 10 0 DCAERN COc1cccc(CNC(=O)CN2CCN(CCO)[C@@H](C)C2)c1 ZINC000187704186 533490345 /nfs/dbraw/zinc/49/03/45/533490345.db2.gz BHPYRYLEILHTSW-AWEZNQCLSA-N 0 0 321.421 0.310 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000181527198 533572446 /nfs/dbraw/zinc/57/24/46/533572446.db2.gz VKZPZBIJFLDWST-LLVKDONJSA-N 0 0 307.398 0.108 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276649808 130531427 /nfs/dbraw/zinc/53/14/27/130531427.db2.gz YCEXTPKBGCBDKB-JHJVBQTASA-N 0 0 319.409 0.704 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000276974604 130566595 /nfs/dbraw/zinc/56/65/95/130566595.db2.gz XKNUTZFWGFTDPT-GFCCVEGCSA-N 0 0 304.350 0.524 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000277715899 130634340 /nfs/dbraw/zinc/63/43/40/130634340.db2.gz NXBZRBKCCWKCOU-CYBMUJFWSA-N 0 0 307.398 0.292 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)n(C)n1 ZINC000278502288 130696999 /nfs/dbraw/zinc/69/69/99/130696999.db2.gz WYDXLVIOFVZJCD-NWDGAFQWSA-N 0 0 305.382 0.092 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cc(N3CCCCC3)ncn2)C1 ZINC000284397105 131077448 /nfs/dbraw/zinc/07/74/48/131077448.db2.gz AUHDBFQIVYHUJE-RYUDHWBXSA-N 0 0 305.382 0.546 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)COc1c(C)nn(C)c1C ZINC000284517434 131088174 /nfs/dbraw/zinc/08/81/74/131088174.db2.gz FSBOQSMHQFIHBF-STQMWFEESA-N 0 0 311.382 0.678 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000284515700 131088177 /nfs/dbraw/zinc/08/81/77/131088177.db2.gz FANRTGVGZNTCTL-ZRJCITRHSA-N 0 0 320.393 0.263 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000284565381 131092282 /nfs/dbraw/zinc/09/22/82/131092282.db2.gz JNRULSOJPKXLDN-KCJUWKMLSA-N 0 0 302.338 0.619 10 0 DCAERN O[C@]1(Cn2ccnn2)CCCN(c2ccnc(C3CC3)n2)C1 ZINC000284665381 131101761 /nfs/dbraw/zinc/10/17/61/131101761.db2.gz HGGNHUDTXGNQGU-OAHLLOKOSA-N 0 0 300.366 0.977 10 0 DCAERN COC(=O)c1sc(N2CCC[C@](O)(C(N)=O)C2)nc1Cl ZINC000284700241 131105720 /nfs/dbraw/zinc/10/57/20/131105720.db2.gz SNBFJHXONFPGFJ-LLVKDONJSA-N 0 0 319.770 0.400 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2sc(C)nc2C)C1 ZINC000284893253 131120371 /nfs/dbraw/zinc/12/03/71/131120371.db2.gz HEFVHUAHTFCUTN-IUCAKERBSA-N 0 0 319.408 0.023 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000285106402 131138865 /nfs/dbraw/zinc/13/88/65/131138865.db2.gz YFSOHJKUBSBPPS-VYDXJSESSA-N 0 0 318.373 0.134 10 0 DCAERN COC[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)CC(C)(C)O1 ZINC000285250121 131151318 /nfs/dbraw/zinc/15/13/18/131151318.db2.gz ZBQVZCMATOOBLI-NSHDSACASA-N 0 0 319.365 0.699 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)Nc1ccc(Cl)cn1 ZINC000285525607 131177545 /nfs/dbraw/zinc/17/75/45/131177545.db2.gz QWJZZNFMDIJWTI-BDAKNGLRSA-N 0 0 300.721 0.571 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000293523262 131742576 /nfs/dbraw/zinc/74/25/76/131742576.db2.gz BCTGEPVKBMWYRZ-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN CC(C)C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)N1CCOCC1 ZINC000119664539 132135646 /nfs/dbraw/zinc/13/56/46/132135646.db2.gz UWHBMBDMZYGMCG-KBPBESRZSA-N 0 0 311.426 0.376 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)nn2)cc1 ZINC000152137923 292036273 /nfs/dbraw/zinc/03/62/73/292036273.db2.gz XDXMKQNACAVLSZ-LLVKDONJSA-N 0 0 313.317 0.111 10 0 DCAERN CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 ZINC000012204514 395687286 /nfs/dbraw/zinc/68/72/86/395687286.db2.gz IZAYCUVVSNEMJD-AWEZNQCLSA-N 0 0 321.446 0.856 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NC(C)C)CC2=O)cc1 ZINC000008167232 395684158 /nfs/dbraw/zinc/68/41/58/395684158.db2.gz GYWJWENIURHPBF-ZDUSSCGKSA-N 0 0 317.389 0.989 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000085376685 395699850 /nfs/dbraw/zinc/69/98/50/395699850.db2.gz UBPLVECUQWMLOI-STQMWFEESA-N 0 0 306.387 0.795 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCCCCC1)N1CCOCC1 ZINC000030338119 395702528 /nfs/dbraw/zinc/70/25/28/395702528.db2.gz QVXPKJKPVFUUIP-ZDUSSCGKSA-N 0 0 305.444 0.418 10 0 DCAERN CC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000087040571 395705491 /nfs/dbraw/zinc/70/54/91/395705491.db2.gz MYROKSBRFZYXKF-CYBMUJFWSA-N 0 0 300.380 0.486 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)c1nc2nccc(C)n2n1 ZINC000089801655 395715369 /nfs/dbraw/zinc/71/53/69/395715369.db2.gz DIONRJHCTPXNHZ-VIFPVBQESA-N 0 0 305.338 0.894 10 0 DCAERN CCOC(=O)C1(C(=O)OCC)Cc2nccnc2CN1C(C)=O ZINC000034032547 395717506 /nfs/dbraw/zinc/71/75/06/395717506.db2.gz LRQAXLQLWDXRBZ-UHFFFAOYSA-N 0 0 321.333 0.246 10 0 DCAERN CN(C)c1nc(N)nc(CSCc2nnc(C3CC3)n2C)n1 ZINC000091027558 395720515 /nfs/dbraw/zinc/72/05/15/395720515.db2.gz RDQFRVCIBOCRIX-UHFFFAOYSA-N 0 0 320.426 0.959 10 0 DCAERN CCn1ccnc(NCC(C)(C)N2CCS(=O)CC2)c1=O ZINC000091012507 395720626 /nfs/dbraw/zinc/72/06/26/395720626.db2.gz FCUDIUSTIPMYHB-UHFFFAOYSA-N 0 0 312.439 0.518 10 0 DCAERN COC(=O)Cn1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000038030632 395730961 /nfs/dbraw/zinc/73/09/61/395730961.db2.gz IHFBAHUDFCMGPR-SNVBAGLBSA-N 0 0 316.383 0.445 10 0 DCAERN O[C@@H](CNc1ccc(OC(F)F)cn1)CN1CCOCC1 ZINC000094132235 395739805 /nfs/dbraw/zinc/73/98/05/395739805.db2.gz VSPUKTNTKKCZFO-JTQLQIEISA-N 0 0 303.309 0.788 10 0 DCAERN CCOc1cc(C)nc(N2CCN(Cc3nncn3C)CC2)n1 ZINC000105868836 395780765 /nfs/dbraw/zinc/78/07/65/395780765.db2.gz GIAIPSHZYNOCMW-UHFFFAOYSA-N 0 0 317.397 0.634 10 0 DCAERN CCN(CC)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000046870107 395781618 /nfs/dbraw/zinc/78/16/18/395781618.db2.gz WKKYESXJCRYYSG-SNVBAGLBSA-N 0 0 309.391 0.982 10 0 DCAERN Cc1cc(COCC(=O)N2CCNC(=O)[C@@H]2CC(C)C)on1 ZINC000193922471 395782839 /nfs/dbraw/zinc/78/28/39/395782839.db2.gz GUWBVZRDLBYDPB-ZDUSSCGKSA-N 0 0 309.366 0.873 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000193945685 395783492 /nfs/dbraw/zinc/78/34/92/395783492.db2.gz MRRAIKNWKKDPGE-LLVKDONJSA-N 0 0 324.402 0.954 10 0 DCAERN C/C=C\C(=O)N1CSC[C@@H]1C(=O)N[C@](C)(CC)C(=O)OC ZINC000106766859 395784121 /nfs/dbraw/zinc/78/41/21/395784121.db2.gz MNVSEJPHYNYSNV-CXEGQJISSA-N 0 0 314.407 0.922 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000194002657 395784673 /nfs/dbraw/zinc/78/46/73/395784673.db2.gz MEOOQEMCSJISNX-LLVKDONJSA-N 0 0 312.395 0.671 10 0 DCAERN COCCN(CCOC)C(=O)NCCNC(=O)c1ccccc1 ZINC000045559971 395763816 /nfs/dbraw/zinc/76/38/16/395763816.db2.gz ZEVXRLYGRCCVQY-UHFFFAOYSA-N 0 0 323.393 0.721 10 0 DCAERN CCOCCOCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000102473305 395769932 /nfs/dbraw/zinc/76/99/32/395769932.db2.gz MFWFAJFOWDKDON-CHWSQXEVSA-N 0 0 300.399 0.945 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)Cc1ccccc1)N1CCOCC1 ZINC000103853774 395775289 /nfs/dbraw/zinc/77/52/89/395775289.db2.gz QUKBHRDNSFDYTA-GOEBONIOSA-N 0 0 321.421 0.610 10 0 DCAERN Cc1noc(C)c1CSCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194619148 395802433 /nfs/dbraw/zinc/80/24/33/395802433.db2.gz XBZNTMGRDUONCB-GFCCVEGCSA-N 0 0 313.423 0.971 10 0 DCAERN Cc1ccn(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)c1 ZINC000194772000 395807855 /nfs/dbraw/zinc/80/78/55/395807855.db2.gz JUSVBXXZTKVFMT-CABCVRRESA-N 0 0 319.405 0.336 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Cn3ccc(C)cc3=O)CCO2)[nH]1 ZINC000194771037 395807918 /nfs/dbraw/zinc/80/79/18/395807918.db2.gz NEVDYPBDHQINLR-GFCCVEGCSA-N 0 0 317.349 0.183 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111359753 395808519 /nfs/dbraw/zinc/80/85/19/395808519.db2.gz ZGCDYVXQEKIAMN-ZDUSSCGKSA-N 0 0 301.412 0.960 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000111538951 395808972 /nfs/dbraw/zinc/80/89/72/395808972.db2.gz BUYPZHRNTZGNGI-LLVKDONJSA-N 0 0 320.349 0.085 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2C(N)=O)cc1C ZINC000194997648 395813347 /nfs/dbraw/zinc/81/33/47/395813347.db2.gz XCXMJDZQJAWLTE-AWEZNQCLSA-N 0 0 317.389 0.900 10 0 DCAERN COCCN(Cc1ccc2c(c1)sc(=O)n2C)[C@@H](C)C(N)=O ZINC000195009034 395813376 /nfs/dbraw/zinc/81/33/76/395813376.db2.gz MVRXOKRXHJCYIR-JTQLQIEISA-N 0 0 323.418 0.922 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CCN2CCCC[C@H]2C1 ZINC000195040089 395814604 /nfs/dbraw/zinc/81/46/04/395814604.db2.gz WGHFOUWKLPWLIX-HNNXBMFYSA-N 0 0 312.377 0.973 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195292725 395823812 /nfs/dbraw/zinc/82/38/12/395823812.db2.gz QODLPLAHTOTVRQ-NSHDSACASA-N 0 0 307.398 0.749 10 0 DCAERN CCCCN(C)C(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195427503 395826382 /nfs/dbraw/zinc/82/63/82/395826382.db2.gz UBHYPFDNEIPDRV-UHFFFAOYSA-N 0 0 317.415 0.427 10 0 DCAERN O=C(NN1CCCCC1=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000195526342 395831714 /nfs/dbraw/zinc/83/17/14/395831714.db2.gz IOAGIGPEJRLHHP-ZDUSSCGKSA-N 0 0 322.409 0.958 10 0 DCAERN COc1cc(C)nc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000213660175 395835960 /nfs/dbraw/zinc/83/59/60/395835960.db2.gz DZYZVEPPAWOJCA-UHFFFAOYSA-N 0 0 313.423 0.912 10 0 DCAERN CN(C)[C@H](CNC(=O)[C@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412641 395839745 /nfs/dbraw/zinc/83/97/45/395839745.db2.gz UTQYLUSLBWECKQ-BXKDBHETSA-N 0 0 311.332 0.820 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC)ccn1)CC2 ZINC000116202715 395842263 /nfs/dbraw/zinc/84/22/63/395842263.db2.gz MGIIFZQIJYDETO-JTQLQIEISA-N 0 0 301.350 0.989 10 0 DCAERN COC(=O)c1ccc2cnn(S(=O)(=O)N(C)C)c2c1OC ZINC000116457309 395844094 /nfs/dbraw/zinc/84/40/94/395844094.db2.gz QTKSFLVIDKDTRQ-UHFFFAOYSA-N 0 0 313.335 0.486 10 0 DCAERN Cc1ccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000116830694 395846479 /nfs/dbraw/zinc/84/64/79/395846479.db2.gz WNJPTFCOJOKYBY-SNVBAGLBSA-N 0 0 302.421 0.749 10 0 DCAERN CN1C[C@@H](C(=O)NCCc2csc(N3CCCC3)n2)CC1=O ZINC000117983879 395856958 /nfs/dbraw/zinc/85/69/58/395856958.db2.gz MEDHOCBAISDNLX-NSHDSACASA-N 0 0 322.434 0.880 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccnc2ccnn21 ZINC000108715546 395792947 /nfs/dbraw/zinc/79/29/47/395792947.db2.gz YZDFQBWVRARYJJ-VIFPVBQESA-N 0 0 305.363 0.979 10 0 DCAERN CCNC(=O)CN(CCc1cccc(F)c1)CC(=O)NCC ZINC000047614097 395796992 /nfs/dbraw/zinc/79/69/92/395796992.db2.gz YGZDYHGJQHPQHN-UHFFFAOYSA-N 0 0 309.385 0.942 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NCCCc1cccc(F)c1 ZINC000109700476 395799046 /nfs/dbraw/zinc/79/90/46/395799046.db2.gz XOHAFJJQVLNQRB-SNVBAGLBSA-N 0 0 302.371 0.812 10 0 DCAERN C[C@H]1COCCN1C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000047665561 395799292 /nfs/dbraw/zinc/79/92/92/395799292.db2.gz RUBWQCOUIRQXEH-NSHDSACASA-N 0 0 309.341 0.872 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194608453 395801597 /nfs/dbraw/zinc/80/15/97/395801597.db2.gz FBSBNELHNBKEHI-CYBMUJFWSA-N 0 0 317.393 0.715 10 0 DCAERN Cc1sc2ncn(CC(=O)N3CC(CO)C3)c(=O)c2c1C ZINC000122545228 395887412 /nfs/dbraw/zinc/88/74/12/395887412.db2.gz VNLPSFFSDYGECK-UHFFFAOYSA-N 0 0 307.375 0.526 10 0 DCAERN CCC[C@](C)(O)C(=O)N1CCN(c2nccc(OC)n2)CC1 ZINC000122884301 395890378 /nfs/dbraw/zinc/89/03/78/395890378.db2.gz UWXBYYLMKWYQLT-HNNXBMFYSA-N 0 0 308.382 0.685 10 0 DCAERN NC(=O)[C@@H]1COCCN1c1ncc(Br)cc1F ZINC000236192523 395893739 /nfs/dbraw/zinc/89/37/39/395893739.db2.gz FOQXPOLZGSWEEU-QMMMGPOBSA-N 0 0 304.119 0.674 10 0 DCAERN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCNC(=O)CC1 ZINC000054258894 395896144 /nfs/dbraw/zinc/89/61/44/395896144.db2.gz PWEDBVDIJLLBNG-NSHDSACASA-N 0 0 316.361 0.182 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCNC(=O)CC1 ZINC000054258110 395896315 /nfs/dbraw/zinc/89/63/15/395896315.db2.gz CUOFZUDVSZZYQM-OAHLLOKOSA-N 0 0 317.389 0.125 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000237015360 395901006 /nfs/dbraw/zinc/90/10/06/395901006.db2.gz QGCCXTZGXUHGKJ-MJBXVCDLSA-N 0 0 311.426 0.518 10 0 DCAERN CC(C)CCOCCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000124757349 395901613 /nfs/dbraw/zinc/90/16/13/395901613.db2.gz XVQBISJBAKMBCD-LBPRGKRZSA-N 0 0 306.428 0.878 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2CCN(C3CC3)CC2)CC1 ZINC000125865498 395906506 /nfs/dbraw/zinc/90/65/06/395906506.db2.gz ZIQZXARAUXGEAM-ZDUSSCGKSA-N 0 0 323.437 0.567 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000055098451 395911438 /nfs/dbraw/zinc/91/14/38/395911438.db2.gz NADUGEIZIMESTP-CHWSQXEVSA-N 0 0 309.410 0.714 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CC[C@H](O)CC1 ZINC000245508504 395930478 /nfs/dbraw/zinc/93/04/78/395930478.db2.gz JGHVHGRERBROTD-HAQNSBGRSA-N 0 0 301.346 0.816 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1C ZINC000055246851 395914854 /nfs/dbraw/zinc/91/48/54/395914854.db2.gz OEKBHQANTPDNNH-LBPRGKRZSA-N 0 0 312.391 0.903 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)c2cnn3c2CCCC3)CCS1(=O)=O ZINC000127501310 395915900 /nfs/dbraw/zinc/91/59/00/395915900.db2.gz PNXSLTHEJGSFHD-WDEREUQCSA-N 0 0 311.407 0.867 10 0 DCAERN CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC[C@@H](C)O)c1 ZINC000118720840 395863740 /nfs/dbraw/zinc/86/37/40/395863740.db2.gz SHKLROVYCZTAAR-LLVKDONJSA-N 0 0 314.407 0.794 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000052527723 395864354 /nfs/dbraw/zinc/86/43/54/395864354.db2.gz WNNZHHNQZJJGTO-NSHDSACASA-N 0 0 301.350 0.888 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@H]1C ZINC000119413104 395870934 /nfs/dbraw/zinc/87/09/34/395870934.db2.gz ZRQRCUHPHVIPNX-CYBMUJFWSA-N 0 0 320.393 0.508 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000119631752 395873177 /nfs/dbraw/zinc/87/31/77/395873177.db2.gz FUEGZHONZADKGA-UHFFFAOYSA-N 0 0 316.365 0.494 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000119740920 395875085 /nfs/dbraw/zinc/87/50/85/395875085.db2.gz OIXWGZWXVCYDTC-GXSJLCMTSA-N 0 0 304.350 0.903 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000119867736 395877194 /nfs/dbraw/zinc/87/71/94/395877194.db2.gz JLQOZGZRSPXVMP-AWEZNQCLSA-N 0 0 318.377 0.262 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1O ZINC000272242897 395879140 /nfs/dbraw/zinc/87/91/40/395879140.db2.gz NPMGCIPXKFGJPQ-WDEREUQCSA-N 0 0 309.366 0.204 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000245445337 395928689 /nfs/dbraw/zinc/92/86/89/395928689.db2.gz YUROLMRTWJQVEV-GRYCIOLGSA-N 0 0 319.365 0.471 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000121463134 395884606 /nfs/dbraw/zinc/88/46/06/395884606.db2.gz FSODBEMOKLJXBQ-UHFFFAOYSA-N 0 0 307.354 0.097 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000273607584 395933148 /nfs/dbraw/zinc/93/31/48/395933148.db2.gz OMJFVXKSDPFAGL-MNOVXSKESA-N 0 0 309.366 0.355 10 0 DCAERN CC(C)(C)OC(=O)N([C@H](CCCNC(N)=[NH2+])C(=O)[O-])[N+](=O)[O-] ZINC000056963188 395935564 /nfs/dbraw/zinc/93/55/64/395935564.db2.gz DCUQRNAKJBVFDN-SSDOTTSWSA-N 0 0 319.318 0.132 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(Cc2nccc(N)n2)CC1 ZINC000135052449 395937139 /nfs/dbraw/zinc/93/71/39/395937139.db2.gz COGWZCGYAUYALZ-UHFFFAOYSA-N 0 0 315.425 0.727 10 0 DCAERN Cc1noc(CCNC(=O)Cn2cc(-c3ccccc3)nn2)n1 ZINC000135433791 395940641 /nfs/dbraw/zinc/94/06/41/395940641.db2.gz XSABBKKJDNLSFG-UHFFFAOYSA-N 0 0 312.333 0.995 10 0 DCAERN O=S(=O)(c1c[nH]c2ncccc12)N1CCO[C@@]2(CCOC2)C1 ZINC000274376739 395943218 /nfs/dbraw/zinc/94/32/18/395943218.db2.gz HZXSDINCVYVWOH-AWEZNQCLSA-N 0 0 323.374 0.743 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NC[C@H]1CCCO1 ZINC000248863862 395999334 /nfs/dbraw/zinc/99/93/34/395999334.db2.gz SMTAAPVHILEONP-JLNYLFASSA-N 0 0 310.394 0.555 10 0 DCAERN Cc1ccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)o1 ZINC000136382340 395946239 /nfs/dbraw/zinc/94/62/39/395946239.db2.gz XTOTXPQDKVLUEX-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000246600123 395953352 /nfs/dbraw/zinc/95/33/52/395953352.db2.gz QKNQLQVMNCOXEQ-XQQFMLRXSA-N 0 0 319.409 0.746 10 0 DCAERN CCOCCN1CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000246659032 395955324 /nfs/dbraw/zinc/95/53/24/395955324.db2.gz WCRKFFQAQXEVNW-ZIAGYGMSSA-N 0 0 306.472 0.710 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246814793 395958222 /nfs/dbraw/zinc/95/82/22/395958222.db2.gz SDIYWYJECFYMCU-KGLIPLIRSA-N 0 0 322.405 0.988 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246872068 395960396 /nfs/dbraw/zinc/96/03/96/395960396.db2.gz SSPJVBXSUWDACD-RISCZKNCSA-N 0 0 319.361 0.094 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C[C@@H]1C ZINC000246925023 395961002 /nfs/dbraw/zinc/96/10/02/395961002.db2.gz NCCNAECSWRXRMR-JSGCOSHPSA-N 0 0 321.425 0.629 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C[C@H]1C ZINC000246925071 395961172 /nfs/dbraw/zinc/96/11/72/395961172.db2.gz NCCNAECSWRXRMR-OCCSQVGLSA-N 0 0 321.425 0.629 10 0 DCAERN COCC(=O)O[C@@H](c1ncccc1S(N)(=O)=O)[C@@H](C)F ZINC000146337666 395965359 /nfs/dbraw/zinc/96/53/59/395965359.db2.gz KYSNOAKSEGNQKQ-RDDDGLTNSA-N 0 0 306.315 0.318 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000247100330 395967193 /nfs/dbraw/zinc/96/71/93/395967193.db2.gz ZGSUMHWPXXIIBB-GXTWGEPZSA-N 0 0 309.366 0.693 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1C ZINC000247212806 395968757 /nfs/dbraw/zinc/96/87/57/395968757.db2.gz UVANOGFSDOCWSJ-KGLIPLIRSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247186909 395968951 /nfs/dbraw/zinc/96/89/51/395968951.db2.gz SFMKLNMPYXOVNF-DTWKUNHWSA-N 0 0 318.424 0.094 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccccc1Br ZINC000061634715 395969558 /nfs/dbraw/zinc/96/95/58/395969558.db2.gz HHYWPZAZLFZEEC-UHFFFAOYSA-N 0 0 300.156 0.776 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C)cc1 ZINC000149326452 395969759 /nfs/dbraw/zinc/96/97/59/395969759.db2.gz LZFYTXNWONUNOR-GWCFXTLKSA-N 0 0 313.375 0.858 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247260146 395970500 /nfs/dbraw/zinc/97/05/00/395970500.db2.gz ZVBFMFCMDQRQDW-RBSFLKMASA-N 0 0 311.426 0.077 10 0 DCAERN COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C1=O ZINC000151134052 395979624 /nfs/dbraw/zinc/97/96/24/395979624.db2.gz FDNNUVBBAPYQIR-ZIAGYGMSSA-N 0 0 319.405 0.721 10 0 DCAERN C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000151244057 395982114 /nfs/dbraw/zinc/98/21/14/395982114.db2.gz XSKKVGKTURPBTE-ZJUUUORDSA-N 0 0 302.338 0.501 10 0 DCAERN O=C(CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)N1CCOCC1 ZINC000151266474 395982523 /nfs/dbraw/zinc/98/25/23/395982523.db2.gz BMXNPAIFDUXIMS-YOEHRIQHSA-N 0 0 324.421 0.779 10 0 DCAERN CC(C)c1nnc2n1CCN([C@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000248193281 395983504 /nfs/dbraw/zinc/98/35/04/395983504.db2.gz MXSHAISNGXZRSL-CHWSQXEVSA-N 0 0 321.425 0.901 10 0 DCAERN CC(C)[C@H]1CCCN1C(=O)NCCN1CCCS1(=O)=O ZINC000064254076 395985651 /nfs/dbraw/zinc/98/56/51/395985651.db2.gz MHYALRLYTDOEQE-GFCCVEGCSA-N 0 0 303.428 0.852 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000248440356 395987066 /nfs/dbraw/zinc/98/70/66/395987066.db2.gz JHFSMWQCFVKIJO-DZGCQCFKSA-N 0 0 308.378 0.182 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000151518766 395987184 /nfs/dbraw/zinc/98/71/84/395987184.db2.gz SHHOFPUJNVLITD-CYBMUJFWSA-N 0 0 321.425 0.812 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C2)cn1 ZINC000151555034 395988035 /nfs/dbraw/zinc/98/80/35/395988035.db2.gz BWUFKLWEOSKIDK-LBPRGKRZSA-N 0 0 321.425 0.667 10 0 DCAERN COc1ccc(CC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)cc1F ZINC000151775438 395991995 /nfs/dbraw/zinc/99/19/95/395991995.db2.gz GILLVFKRXNJDTN-DZGCQCFKSA-N 0 0 308.353 0.918 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cccnn2)CC1)N1CCSCC1 ZINC000151965615 395997467 /nfs/dbraw/zinc/99/74/67/395997467.db2.gz MVZNPZPUVLWGCN-CYBMUJFWSA-N 0 0 321.450 0.563 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152006337 395998023 /nfs/dbraw/zinc/99/80/23/395998023.db2.gz WHVAVBIIPAWCQE-GWCFXTLKSA-N 0 0 305.313 0.801 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@H]1CCOC(C)(C)C1)c2=O ZINC000153683758 396025202 /nfs/dbraw/zinc/02/52/02/396025202.db2.gz GMWBFTGSEUMDAT-JTQLQIEISA-N 0 0 319.365 0.204 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2ccno2)C[C@H]1COc1ccccc1 ZINC000253404748 396027358 /nfs/dbraw/zinc/02/73/58/396027358.db2.gz HYIAASQWOZZOJT-WCQYABFASA-N 0 0 315.329 0.927 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C ZINC000276783928 396028188 /nfs/dbraw/zinc/02/81/88/396028188.db2.gz VAVFWKHGFVLJJP-CABCVRRESA-N 0 0 314.389 0.969 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCCSCC2)C1 ZINC000067628148 396030262 /nfs/dbraw/zinc/03/02/62/396030262.db2.gz AMTVPGUXJHGNFD-LLVKDONJSA-N 0 0 321.468 0.559 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC(O)CC1 ZINC000253614853 396031262 /nfs/dbraw/zinc/03/12/62/396031262.db2.gz KQBHYTSNHBVDBQ-UHFFFAOYSA-N 0 0 317.433 0.788 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@H](O)COC[C@H]1CCCO1)C2 ZINC000253608983 396031673 /nfs/dbraw/zinc/03/16/73/396031673.db2.gz IEIKAOSGCSCBSS-UONOGXRCSA-N 0 0 324.425 0.774 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC/C=C\c1ccccc1)c2=O ZINC000255588131 396032709 /nfs/dbraw/zinc/03/27/09/396032709.db2.gz KQBUDGAKGRLMSX-YVMONPNESA-N 0 0 323.356 0.960 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)nn1 ZINC000154242013 396034567 /nfs/dbraw/zinc/03/45/67/396034567.db2.gz GDRVWLFUCLRJIN-LLVKDONJSA-N 0 0 316.365 0.618 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nc(C)cc1C ZINC000155044404 396045966 /nfs/dbraw/zinc/04/59/66/396045966.db2.gz XVXULIALZYFONT-LBPRGKRZSA-N 0 0 318.381 0.889 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[NH2+]CC[C@H]1C ZINC000261618229 396049280 /nfs/dbraw/zinc/04/92/80/396049280.db2.gz BLJQPDDGPAFQAI-SFYZADRCSA-N 0 0 319.408 0.206 10 0 DCAERN CN1CC[C@@H](NC(=O)NCC[C@H]2c3ccccc3NC2=O)C1=O ZINC000155439858 396051494 /nfs/dbraw/zinc/05/14/94/396051494.db2.gz KUUDDZAJCWPUET-WCQYABFASA-N 0 0 316.361 0.642 10 0 DCAERN CC[NH2+][C@H](C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000261710776 396058795 /nfs/dbraw/zinc/05/87/95/396058795.db2.gz PQCDRMFZDVSQLU-MRVPVSSYSA-N 0 0 318.395 0.959 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)C[C@H](C(N)=O)O1 ZINC000157460708 396063425 /nfs/dbraw/zinc/06/34/25/396063425.db2.gz FEDIAYBQGDFKDL-ARVDLFLUSA-N 0 0 310.375 0.139 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H](C(N)=O)O1 ZINC000157460860 396063557 /nfs/dbraw/zinc/06/35/57/396063557.db2.gz FEDIAYBQGDFKDL-HDKXSFDQSA-N 0 0 310.375 0.139 10 0 DCAERN CCOCCS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159293670 396066378 /nfs/dbraw/zinc/06/63/78/396066378.db2.gz XJZHTLREXNGEAY-UHFFFAOYSA-N 0 0 301.412 0.966 10 0 DCAERN COCCCS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159302910 396066598 /nfs/dbraw/zinc/06/65/98/396066598.db2.gz DQJUOAGDDXMDFC-UHFFFAOYSA-N 0 0 301.412 0.966 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000152212166 396003873 /nfs/dbraw/zinc/00/38/73/396003873.db2.gz HGHSWTLMNWUVLZ-GFCCVEGCSA-N 0 0 302.330 0.879 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)[C@H](C)C1 ZINC000249377930 396007329 /nfs/dbraw/zinc/00/73/29/396007329.db2.gz UNWKWMRTIGEJMQ-OLZOCXBDSA-N 0 0 306.410 0.747 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@H](C)C1 ZINC000249396405 396007619 /nfs/dbraw/zinc/00/76/19/396007619.db2.gz GVWLTQIWXAALCF-HZSPNIEDSA-N 0 0 312.410 0.897 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000249502105 396008856 /nfs/dbraw/zinc/00/88/56/396008856.db2.gz BDLXIPXZWGNYEI-JIMOISOXSA-N 0 0 312.391 0.936 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251800505 396017385 /nfs/dbraw/zinc/01/73/85/396017385.db2.gz MFRIWEQCMRBAIW-TUAOUCFPSA-N 0 0 304.412 0.630 10 0 DCAERN COCCn1nc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)ccc1=O ZINC000163235348 396085821 /nfs/dbraw/zinc/08/58/21/396085821.db2.gz IAOLCILWNIKKQD-TZMCWYRMSA-N 0 0 321.377 0.531 10 0 DCAERN CC(C)N(CC(N)=O)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000073061379 396141374 /nfs/dbraw/zinc/14/13/74/396141374.db2.gz QCAPXTWXPFHGFQ-LLVKDONJSA-N 0 0 306.366 0.919 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H](COC)c2ccco2)cn1 ZINC000175746454 396141522 /nfs/dbraw/zinc/14/15/22/396141522.db2.gz VQLUYTPQWGSZMJ-LLVKDONJSA-N 0 0 321.337 0.731 10 0 DCAERN CC[C@@H](O)CN(CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000170715523 396096721 /nfs/dbraw/zinc/09/67/21/396096721.db2.gz LHJCFYGRNINSRO-DZGCQCFKSA-N 0 0 321.421 0.857 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CS(C)(=O)=O ZINC000262078254 396097065 /nfs/dbraw/zinc/09/70/65/396097065.db2.gz XKZNPXBNMKDCSE-LBPRGKRZSA-N 0 0 312.391 0.213 10 0 DCAERN CC[C@H](O)CN(CC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000170716544 396097220 /nfs/dbraw/zinc/09/72/20/396097220.db2.gz VERLHCKLEOFUCO-AWEZNQCLSA-N 0 0 305.378 0.222 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCS[C@@H](C)C1 ZINC000170901645 396100519 /nfs/dbraw/zinc/10/05/19/396100519.db2.gz MUDYNCRIPNCOGV-QMMMGPOBSA-N 0 0 320.422 0.830 10 0 DCAERN C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)[C@H](C)N1CCOCC1 ZINC000170918750 396101709 /nfs/dbraw/zinc/10/17/09/396101709.db2.gz LEAYCVUCMXWTOP-RYUDHWBXSA-N 0 0 308.382 0.616 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N1CCN(c2cccnn2)CC1 ZINC000171351058 396114996 /nfs/dbraw/zinc/11/49/96/396114996.db2.gz FHPOCJXFSZJZQL-AWEZNQCLSA-N 0 0 303.410 1.000 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CCC(=O)N2CCOCC2)cn1 ZINC000171352237 396115379 /nfs/dbraw/zinc/11/53/79/396115379.db2.gz KUOHMNBDTSKRIX-AWEZNQCLSA-N 0 0 320.393 0.723 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000171367614 396115401 /nfs/dbraw/zinc/11/54/01/396115401.db2.gz SRKJQWRTSMIUCR-VXGBXAGGSA-N 0 0 300.318 0.693 10 0 DCAERN Cn1nccc1CC(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000278294198 396117359 /nfs/dbraw/zinc/11/73/59/396117359.db2.gz BIQVLYKDZARZIR-ZIAGYGMSSA-N 0 0 305.378 0.949 10 0 DCAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171459269 396117894 /nfs/dbraw/zinc/11/78/94/396117894.db2.gz SFRPIANNVURFFJ-NWDGAFQWSA-N 0 0 323.397 0.788 10 0 DCAERN CNC(=O)c1ccc(C)c(NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000171706242 396122365 /nfs/dbraw/zinc/12/23/65/396122365.db2.gz ZOLQMEAXOOUQRE-ZDUSSCGKSA-N 0 0 320.393 0.807 10 0 DCAERN CS(=O)(=O)c1nc(C(=O)N[C@H]2CCCOC2)c2ccccn21 ZINC000171675161 396122586 /nfs/dbraw/zinc/12/25/86/396122586.db2.gz HVPZGEYMVYJLCK-JTQLQIEISA-N 0 0 323.374 0.647 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1c(Br)cnn1C ZINC000278413709 396123458 /nfs/dbraw/zinc/12/34/58/396123458.db2.gz HKEILFUYCWPSMN-SECBINFHSA-N 0 0 301.188 0.893 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOCC)C[C@@H]1C ZINC000172261872 396129449 /nfs/dbraw/zinc/12/94/49/396129449.db2.gz RSMYTLLKRRWIAM-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN O=c1cc(N2CC[C@@H](N3CCOCC3)C2)nc2ccccn12 ZINC000173975867 396137211 /nfs/dbraw/zinc/13/72/11/396137211.db2.gz XJTXHCCEKNGCQT-CYBMUJFWSA-N 0 0 300.362 0.605 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(=O)N1CCCC1 ZINC000174752064 396139840 /nfs/dbraw/zinc/13/98/40/396139840.db2.gz VQGHXYJWZRAKKL-NSHDSACASA-N 0 0 321.425 0.890 10 0 DCAERN CCc1nnc2n1CCN(C(=O)c1cnn3ccc(C)nc13)C2 ZINC000069453566 396078941 /nfs/dbraw/zinc/07/89/41/396078941.db2.gz ZQOYOLLCIFWCRC-UHFFFAOYSA-N 0 0 311.349 0.848 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)CCn1ccnn1 ZINC000261917806 396079581 /nfs/dbraw/zinc/07/95/81/396079581.db2.gz IHCKUXYVNPKNCE-CQSZACIVSA-N 0 0 315.377 0.850 10 0 DCAERN O=C(NCc1cccc(-n2cncn2)c1)[C@@H]1CC(F)(F)CN1 ZINC000263195566 396205115 /nfs/dbraw/zinc/20/51/15/396205115.db2.gz IHYPDCDSQGILKO-LBPRGKRZSA-N 0 0 307.304 0.881 10 0 DCAERN CO[C@@H](C)c1noc(CN(C)C(=O)[C@H]2CC(F)(F)CN2)n1 ZINC000263203974 396205985 /nfs/dbraw/zinc/20/59/85/396205985.db2.gz JLYNAROIZNKPQU-JGVFFNPUSA-N 0 0 304.297 0.733 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000178746764 396207258 /nfs/dbraw/zinc/20/72/58/396207258.db2.gz VACZISYYCBWXAT-ZDUSSCGKSA-N 0 0 321.381 0.989 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@]2(O)CCO[C@@H]2C)cc1 ZINC000279053057 396149636 /nfs/dbraw/zinc/14/96/36/396149636.db2.gz AZPJIOIQUXLMQG-BDJLRTHQSA-N 0 0 306.362 0.939 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000073749111 396150025 /nfs/dbraw/zinc/15/00/25/396150025.db2.gz ZUMVARYPOALUEW-MJBXVCDLSA-N 0 0 319.409 0.906 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)CNC(=O)c1ccccn1 ZINC000176316998 396153859 /nfs/dbraw/zinc/15/38/59/396153859.db2.gz NQXRNHJOSFMHME-ZDUSSCGKSA-N 0 0 307.394 0.972 10 0 DCAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)Cn1cnnn1)CCCC2 ZINC000279152128 396154349 /nfs/dbraw/zinc/15/43/49/396154349.db2.gz HLBUMMQWHJLCNG-ZDUSSCGKSA-N 0 0 315.381 0.649 10 0 DCAERN O=C(NC[C@H]1CSCCS1)N[C@@H]1CCc2ncnn2C1 ZINC000176534056 396156331 /nfs/dbraw/zinc/15/63/31/396156331.db2.gz CWYLBKJPSPVZJZ-ZJUUUORDSA-N 0 0 313.452 0.741 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074196927 396160972 /nfs/dbraw/zinc/16/09/72/396160972.db2.gz QGMCUVQGBAMVFH-BJJXKVORSA-N 0 0 305.378 0.878 10 0 DCAERN O=c1n2ccccc2nn1CCSc1nnnn1C1CC1 ZINC000074233238 396161664 /nfs/dbraw/zinc/16/16/64/396161664.db2.gz HKBAWHRCXJJLEC-UHFFFAOYSA-N 0 0 303.351 0.610 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1 ZINC000279335550 396166519 /nfs/dbraw/zinc/16/65/19/396166519.db2.gz UKDFFBAZAVDHDB-RYUDHWBXSA-N 0 0 308.378 0.873 10 0 DCAERN COC(=O)CNC(=O)CN1CCc2[nH]c3ccccc3c2C1 ZINC000178841239 396210978 /nfs/dbraw/zinc/21/09/78/396210978.db2.gz TVIGIZFIGJWIJK-UHFFFAOYSA-N 0 0 301.346 0.815 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000263281702 396211061 /nfs/dbraw/zinc/21/10/61/396211061.db2.gz UJHZKWVQFXMGDP-NEPJUHHUSA-N 0 0 303.353 0.164 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)CCC1=O ZINC000177540192 396178000 /nfs/dbraw/zinc/17/80/00/396178000.db2.gz FQPNQIIHYUUQLD-STQMWFEESA-N 0 0 305.382 0.678 10 0 DCAERN CSCCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177516272 396178134 /nfs/dbraw/zinc/17/81/34/396178134.db2.gz LFNJPYCEDAEWSD-UHFFFAOYSA-N 0 0 306.453 0.812 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000177606251 396179672 /nfs/dbraw/zinc/17/96/72/396179672.db2.gz QTWHNPWCWBLJMF-ZIAGYGMSSA-N 0 0 319.405 0.847 10 0 DCAERN Cc1nc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C)s1 ZINC000178866456 396211392 /nfs/dbraw/zinc/21/13/92/396211392.db2.gz WAIUZNAFLCWBEN-UHFFFAOYSA-N 0 0 319.390 0.982 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)NC[C@]1(CCO)CCOC1 ZINC000177789740 396183664 /nfs/dbraw/zinc/18/36/64/396183664.db2.gz WLNLXIWWCXKSJC-INIZCTEOSA-N 0 0 318.377 0.923 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000177789866 396183799 /nfs/dbraw/zinc/18/37/99/396183799.db2.gz BJHHQJOLHXPHGM-NEPJUHHUSA-N 0 0 320.393 0.753 10 0 DCAERN CCNS(=O)(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000178862965 396211656 /nfs/dbraw/zinc/21/16/56/396211656.db2.gz DVQZRYITHUZEBC-SNVBAGLBSA-N 0 0 323.212 0.926 10 0 DCAERN NC(=O)CCOc1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000262925519 396192322 /nfs/dbraw/zinc/19/23/22/396192322.db2.gz HJEAUOXUENETHE-NSHDSACASA-N 0 0 313.304 0.877 10 0 DCAERN O=C(CCNC(=O)[C@@H]1CC(F)(F)CN1)NCc1ccccc1 ZINC000262975799 396195662 /nfs/dbraw/zinc/19/56/62/396195662.db2.gz MGRMQMRCZLDIBN-LBPRGKRZSA-N 0 0 311.332 0.806 10 0 DCAERN Cn1c2ccc(NC(=O)[C@H]3CC(F)(F)CN3)cc2n(C)c1=O ZINC000263024443 396198808 /nfs/dbraw/zinc/19/88/08/396198808.db2.gz RGRKEQOHYJVBRS-SECBINFHSA-N 0 0 310.304 0.813 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000180799764 396234769 /nfs/dbraw/zinc/23/47/69/396234769.db2.gz MCHRFDVUGBYWRA-SNVBAGLBSA-N 0 0 316.427 0.023 10 0 DCAERN CCOc1cc(C(=O)NCC(=O)N2CCOCC2)ccc1C ZINC000181089418 396236930 /nfs/dbraw/zinc/23/69/30/396236930.db2.gz GGDCIDLJLBHAKX-UHFFFAOYSA-N 0 0 306.362 0.982 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181773872 396242017 /nfs/dbraw/zinc/24/20/17/396242017.db2.gz OQUHFPANLAGDEM-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1 ZINC000078571540 396248268 /nfs/dbraw/zinc/24/82/68/396248268.db2.gz AWHCCZHWUGZBFH-GFCCVEGCSA-N 0 0 313.375 0.548 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)[C@H](O)Cc1ccccc1 ZINC000182474151 396250491 /nfs/dbraw/zinc/25/04/91/396250491.db2.gz WDAXDRGLZSNZBF-UKRRQHHQSA-N 0 0 317.393 0.960 10 0 DCAERN COCCCOC1CN(C(=O)Nc2cn(C)c(=O)cc2C)C1 ZINC000182463883 396250750 /nfs/dbraw/zinc/25/07/50/396250750.db2.gz TZGNBNYCGLMEQT-UHFFFAOYSA-N 0 0 309.366 0.963 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCC[S@@](C)=O ZINC000182445302 396250893 /nfs/dbraw/zinc/25/08/93/396250893.db2.gz LIRXLWARJNPLRW-OAQYLSRUSA-N 0 0 310.379 0.475 10 0 DCAERN O=C(NCCCNC(=O)C1CCC1)NCCCn1ccnn1 ZINC000182833103 396254930 /nfs/dbraw/zinc/25/49/30/396254930.db2.gz YYQCANFSEVPBSN-UHFFFAOYSA-N 0 0 308.386 0.274 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H](C)C[S@@](C)=O ZINC000182895693 396256484 /nfs/dbraw/zinc/25/64/84/396256484.db2.gz HDVAWLAIRAXTPY-IJSAXESFSA-N 0 0 310.379 0.474 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCCCn2ccnn2)s1 ZINC000182966897 396257221 /nfs/dbraw/zinc/25/72/21/396257221.db2.gz GNIPGIFEDZEYNP-UHFFFAOYSA-N 0 0 307.379 0.796 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182977047 396258336 /nfs/dbraw/zinc/25/83/36/396258336.db2.gz MDJLWDGSFKKNPU-GFCCVEGCSA-N 0 0 317.349 0.426 10 0 DCAERN COCCCOc1ccc(C(=O)NCCCn2ccnn2)cn1 ZINC000183016485 396258929 /nfs/dbraw/zinc/25/89/29/396258929.db2.gz VRVVGPPCUBMCPU-UHFFFAOYSA-N 0 0 319.365 0.909 10 0 DCAERN CNC(=O)c1ccc(NCCS(=O)(=O)c2ccccc2)nn1 ZINC000080599572 396282362 /nfs/dbraw/zinc/28/23/62/396282362.db2.gz QNKTXPCPFOHPEN-UHFFFAOYSA-N 0 0 320.374 0.722 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCOCC1 ZINC000079022513 396259860 /nfs/dbraw/zinc/25/98/60/396259860.db2.gz SJZKADGOMFESCK-GFCCVEGCSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC(=O)N2CCCCC2)C1 ZINC000079031115 396260343 /nfs/dbraw/zinc/26/03/43/396260343.db2.gz SUZCZCRQXUPVAV-LBPRGKRZSA-N 0 0 303.428 0.565 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)F)CC1 ZINC000079053247 396261153 /nfs/dbraw/zinc/26/11/53/396261153.db2.gz PPJNGDWFVHPNSG-JTQLQIEISA-N 0 0 316.352 0.342 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cccc(F)c1F ZINC000183165820 396264029 /nfs/dbraw/zinc/26/40/29/396264029.db2.gz PZXDKLHWCIINFQ-UHFFFAOYSA-N 0 0 302.306 0.925 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000264313727 396270414 /nfs/dbraw/zinc/27/04/14/396270414.db2.gz DMSBVFLWPBMMEC-SNVBAGLBSA-N 0 0 311.349 0.813 10 0 DCAERN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)Cn1cnnn1 ZINC000183623846 396272374 /nfs/dbraw/zinc/27/23/74/396272374.db2.gz PCEYGLNPHTYXCB-CYBMUJFWSA-N 0 0 300.366 0.801 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000183698817 396273445 /nfs/dbraw/zinc/27/34/45/396273445.db2.gz LQWNHAUZSPKLAJ-JTQLQIEISA-N 0 0 324.402 0.523 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc(F)ccc1O)CN1CCOCC1 ZINC000080035496 396274338 /nfs/dbraw/zinc/27/43/38/396274338.db2.gz JYXOXQVQUABFHM-OAHLLOKOSA-N 0 0 312.341 0.344 10 0 DCAERN COc1cc(N2CCN(C(=O)CC[C@H](C)OC)CC2)ncn1 ZINC000183851155 396276440 /nfs/dbraw/zinc/27/64/40/396276440.db2.gz VLUSBLJVHVWPOE-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000263439005 396217331 /nfs/dbraw/zinc/21/73/31/396217331.db2.gz DBSRZDPTSGWBGX-UHFFFAOYSA-N 0 0 324.425 0.414 10 0 DCAERN O=C(CN1CCOCC1)Nc1ccc(N[C@H]2CCNC2=O)cc1 ZINC000179061233 396220367 /nfs/dbraw/zinc/22/03/67/396220367.db2.gz IXOOTOZBIHCGAE-AWEZNQCLSA-N 0 0 318.377 0.258 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000179405803 396226373 /nfs/dbraw/zinc/22/63/73/396226373.db2.gz IUCYWOCIJBOIGS-NSHDSACASA-N 0 0 313.427 0.120 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000077772730 396232937 /nfs/dbraw/zinc/23/29/37/396232937.db2.gz PKZCDKJRSUNBLY-QWHCGFSZSA-N 0 0 322.409 0.734 10 0 DCAERN CC(C)[C@H](NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(N)=O ZINC000184991090 396313374 /nfs/dbraw/zinc/31/33/74/396313374.db2.gz CYJWILRGIQYYBG-YPMHNXCESA-N 0 0 322.413 0.198 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2nccs2)CC1 ZINC000184991102 396313536 /nfs/dbraw/zinc/31/35/36/396313536.db2.gz PYDZFLHFKAHXEX-LBPRGKRZSA-N 0 0 312.439 0.784 10 0 DCAERN CNC(=O)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000185030688 396315481 /nfs/dbraw/zinc/31/54/81/396315481.db2.gz RTVOMWAKFUMBFJ-UHFFFAOYSA-N 0 0 305.378 0.271 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2cccc(C)c2)C1 ZINC000185089722 396316822 /nfs/dbraw/zinc/31/68/22/396316822.db2.gz IQAVREBYHSFCLH-AWEZNQCLSA-N 0 0 308.378 0.182 10 0 DCAERN NC(=O)N[C@@H](CC(=O)NCCCn1ccnn1)c1cccs1 ZINC000185073801 396316843 /nfs/dbraw/zinc/31/68/43/396316843.db2.gz AHJOUXJTYHVTGX-JTQLQIEISA-N 0 0 322.394 0.646 10 0 DCAERN CO[C@@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000184092346 396285178 /nfs/dbraw/zinc/28/51/78/396285178.db2.gz RIUZZSWXXBCYBP-GFCCVEGCSA-N 0 0 303.318 0.410 10 0 DCAERN CCOc1ccccc1N1C[C@@H](C(=O)N2CC(CO)C2)CC1=O ZINC000184213945 396288185 /nfs/dbraw/zinc/28/81/85/396288185.db2.gz QVYRECORDIPHOV-ZDUSSCGKSA-N 0 0 318.373 0.889 10 0 DCAERN CCCCc1nnc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185146787 396319643 /nfs/dbraw/zinc/31/96/43/396319643.db2.gz UROFQPSCINKBPM-NXEZZACHSA-N 0 0 314.411 0.247 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC(=O)N1C ZINC000282429258 396289514 /nfs/dbraw/zinc/28/95/14/396289514.db2.gz QWHQMRLERYUOOE-VIFPVBQESA-N 0 0 302.334 0.169 10 0 DCAERN O=C(CN1CCO[C@@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145373 396319840 /nfs/dbraw/zinc/31/98/40/396319840.db2.gz VVOKNPSZJBNIKW-INIZCTEOSA-N 0 0 308.353 0.933 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1 ZINC000184579732 396299635 /nfs/dbraw/zinc/29/96/35/396299635.db2.gz NYFRHRHYUHTOCA-CQSZACIVSA-N 0 0 318.373 0.858 10 0 DCAERN Cc1cccn2c1ncc(C(=O)NC(C)(C)CC(N)=O)c2=O ZINC000184622016 396300887 /nfs/dbraw/zinc/30/08/87/396300887.db2.gz RBXXEZVMTHXVCL-UHFFFAOYSA-N 0 0 302.334 0.387 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000184749127 396305093 /nfs/dbraw/zinc/30/50/93/396305093.db2.gz ZRSQMHXAZXJLHM-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCN(C)C(=O)C3(C)C)cc21 ZINC000184836155 396308171 /nfs/dbraw/zinc/30/81/71/396308171.db2.gz CINMLBBPOCIWHT-UHFFFAOYSA-N 0 0 301.350 0.661 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000185591555 396330507 /nfs/dbraw/zinc/33/05/07/396330507.db2.gz LREUHOWJJNJXOI-CYBMUJFWSA-N 0 0 317.349 0.661 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nc[nH]n2)cc1 ZINC000185631548 396332004 /nfs/dbraw/zinc/33/20/04/396332004.db2.gz GOLVFODRCGUTTE-GFCCVEGCSA-N 0 0 309.333 0.808 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000185902691 396336648 /nfs/dbraw/zinc/33/66/48/396336648.db2.gz QNQYFPAATVAFLJ-UHFFFAOYSA-N 0 0 313.301 0.949 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265679950 396336810 /nfs/dbraw/zinc/33/68/10/396336810.db2.gz IZTYAGPPVJHOAC-QWRGUYRKSA-N 0 0 300.384 0.100 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186204864 396344490 /nfs/dbraw/zinc/34/44/90/396344490.db2.gz DRWVRSXOTMFZRK-RYUDHWBXSA-N 0 0 318.377 0.745 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000186197668 396344613 /nfs/dbraw/zinc/34/46/13/396344613.db2.gz MPQLXXNHLIRIRT-GFCCVEGCSA-N 0 0 323.397 0.820 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccs2)C(=O)C1 ZINC000186101450 396341167 /nfs/dbraw/zinc/34/11/67/396341167.db2.gz NMOFOJYJXTUANS-SECBINFHSA-N 0 0 310.379 0.241 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCO[C@@]2(CCOC2)C1 ZINC000186097346 396341333 /nfs/dbraw/zinc/34/13/33/396341333.db2.gz JDSXGHKHJWSTKT-INIZCTEOSA-N 0 0 317.345 0.348 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000186629926 396353939 /nfs/dbraw/zinc/35/39/39/396353939.db2.gz UIRKCIMLKVDJFR-LBPRGKRZSA-N 0 0 305.378 0.916 10 0 DCAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@@H](C)N1CCOCC1 ZINC000187033781 396362579 /nfs/dbraw/zinc/36/25/79/396362579.db2.gz WPTIPYACJJTAPS-VXGBXAGGSA-N 0 0 324.425 0.016 10 0 DCAERN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)C[C@@H]1CCCO1 ZINC000187811338 396374761 /nfs/dbraw/zinc/37/47/61/396374761.db2.gz CPNNKQCQJRJAAH-AVGNSLFASA-N 0 0 318.439 0.131 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187351537 396368084 /nfs/dbraw/zinc/36/80/84/396368084.db2.gz AZRRRHLMKKSHAU-UHFFFAOYSA-N 0 0 313.304 0.989 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)nc1C ZINC000187339621 396368239 /nfs/dbraw/zinc/36/82/39/396368239.db2.gz OETRBYRDVPHWOL-LBPRGKRZSA-N 0 0 304.350 0.374 10 0 DCAERN COC[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000187401794 396369202 /nfs/dbraw/zinc/36/92/02/396369202.db2.gz RBICYHKXLQJTQW-GFCCVEGCSA-N 0 0 307.350 0.887 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000187490058 396370367 /nfs/dbraw/zinc/37/03/67/396370367.db2.gz MMIKPAIBDHJVHU-AWEZNQCLSA-N 0 0 306.362 0.729 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187476687 396370679 /nfs/dbraw/zinc/37/06/79/396370679.db2.gz FFFWZHDOORUWIX-GXSJLCMTSA-N 0 0 306.370 0.294 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCCN(c2ccccn2)CC1 ZINC000186400461 396349446 /nfs/dbraw/zinc/34/94/46/396349446.db2.gz AHUXKPWHPFTMBH-ZDUSSCGKSA-N 0 0 302.378 0.647 10 0 DCAERN C[C@H]1OCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)[C@@H]1C(N)=O ZINC000285376271 396349876 /nfs/dbraw/zinc/34/98/76/396349876.db2.gz OJPQNFKHAWRWPQ-RNCFNFMXSA-N 0 0 319.361 0.381 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000285683804 396351129 /nfs/dbraw/zinc/35/11/29/396351129.db2.gz WCECJFXZFNBIDD-LBPRGKRZSA-N 0 0 318.160 0.841 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566336 396352505 /nfs/dbraw/zinc/35/25/05/396352505.db2.gz OUIRQIJBQCHZAB-CQSZACIVSA-N 0 0 322.413 0.030 10 0 DCAERN CN1N=C(C(=O)Nc2cn(Cc3ccccc3)nn2)CCC1=O ZINC000188267559 396380789 /nfs/dbraw/zinc/38/07/89/396380789.db2.gz QIUITFIZROWNJE-UHFFFAOYSA-N 0 0 312.333 0.873 10 0 DCAERN C[C@@](O)(CCNC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000188350250 396381786 /nfs/dbraw/zinc/38/17/86/396381786.db2.gz DCRPBGJGETWEEE-MRXNPFEDSA-N 0 0 305.378 0.816 10 0 DCAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCOCC1 ZINC000188794562 396386327 /nfs/dbraw/zinc/38/63/27/396386327.db2.gz OXKHGRXWSCDNGP-GFCCVEGCSA-N 0 0 324.425 0.017 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOc1ccc(F)cc1 ZINC000188799066 396386725 /nfs/dbraw/zinc/38/67/25/396386725.db2.gz GSFRPRJESXFJDF-UKRRQHHQSA-N 0 0 324.352 0.693 10 0 DCAERN C[C@H](NC(N)=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188891409 396388767 /nfs/dbraw/zinc/38/87/67/396388767.db2.gz HZNAPJGMDPVOAU-JTQLQIEISA-N 0 0 324.812 0.871 10 0 DCAERN CN(C)S(=O)(=O)[C@H]1CCCN(c2ncnc3c2cnn3C)C1 ZINC000286342816 396389341 /nfs/dbraw/zinc/38/93/41/396389341.db2.gz CFLGVPGLLDZPPB-JTQLQIEISA-N 0 0 324.410 0.224 10 0 DCAERN CCCCO[C@@H](C)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189063024 396390317 /nfs/dbraw/zinc/39/03/17/396390317.db2.gz NPVAOTSERKTRDO-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN COCCS(=O)(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000189053915 396390517 /nfs/dbraw/zinc/39/05/17/396390517.db2.gz IBLPESSBQAQRME-UHFFFAOYSA-N 0 0 318.399 0.291 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@@H](C)OC)CC2)n1 ZINC000189136449 396391236 /nfs/dbraw/zinc/39/12/36/396391236.db2.gz MIZMKISHMYUNLE-LLVKDONJSA-N 0 0 308.382 0.853 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN1c1nccs1 ZINC000189232791 396391833 /nfs/dbraw/zinc/39/18/33/396391833.db2.gz ZGNITRDZDONRFT-WDEREUQCSA-N 0 0 308.407 0.849 10 0 DCAERN CN1CCC(=O)Nc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000269173279 396392236 /nfs/dbraw/zinc/39/22/36/396392236.db2.gz IQWQTBGMTXQKPG-GFCCVEGCSA-N 0 0 319.361 0.298 10 0 DCAERN CC(C)c1nnc2n1CCN(CC(=O)N1CCN(C)CC1)[C@H]2C ZINC000189588032 396397047 /nfs/dbraw/zinc/39/70/47/396397047.db2.gz XXEBOHZKRFIETG-ZDUSSCGKSA-N 0 0 320.441 0.552 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000189678699 396397708 /nfs/dbraw/zinc/39/77/08/396397708.db2.gz UKGNITMCBRKOCM-CQSZACIVSA-N 0 0 317.389 0.411 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000189820717 396400302 /nfs/dbraw/zinc/40/03/02/396400302.db2.gz VCTIDENVKWAEAQ-GFCCVEGCSA-N 0 0 319.336 0.942 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000190462828 396406464 /nfs/dbraw/zinc/40/64/64/396406464.db2.gz KGJNAYBNHRUDOF-KBPBESRZSA-N 0 0 320.437 0.908 10 0 DCAERN CCN1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000190484800 396406525 /nfs/dbraw/zinc/40/65/25/396406525.db2.gz GFRZCUCKXPBNED-UHFFFAOYSA-N 0 0 316.361 0.827 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000190551618 396407517 /nfs/dbraw/zinc/40/75/17/396407517.db2.gz RMVCONRDPNTPGA-LLVKDONJSA-N 0 0 305.309 0.900 10 0 DCAERN CCN1CN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1=O ZINC000190567582 396408067 /nfs/dbraw/zinc/40/80/67/396408067.db2.gz XHRHOULZSGXCCO-UHFFFAOYSA-N 0 0 310.375 0.660 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N(C)CCCOC)CCO2)[nH]1 ZINC000190727602 396411272 /nfs/dbraw/zinc/41/12/72/396411272.db2.gz YSIHXXVWBGJNNW-NSHDSACASA-N 0 0 311.386 0.829 10 0 DCAERN COCCN1CCCN(Cc2ncnn2CC(C)C)CC1=O ZINC000190787838 396411858 /nfs/dbraw/zinc/41/18/58/396411858.db2.gz FPRFBDPMUFAFHH-UHFFFAOYSA-N 0 0 309.414 0.615 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c(F)cccc1F ZINC000190990912 396413867 /nfs/dbraw/zinc/41/38/67/396413867.db2.gz QQTYBVWICFVSMC-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN CN1CCCN(CC(=O)N2CCc3ccccc3C2)CC1=O ZINC000191083299 396415377 /nfs/dbraw/zinc/41/53/77/396415377.db2.gz SHALKUOFTYCNAU-UHFFFAOYSA-N 0 0 301.390 0.735 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCCN(C)C(=O)C3)nc12 ZINC000191133627 396415978 /nfs/dbraw/zinc/41/59/78/396415978.db2.gz OATMKAYPQQBXIO-UHFFFAOYSA-N 0 0 300.362 0.667 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2CCO[C@@H]2C)s1 ZINC000287689532 396416451 /nfs/dbraw/zinc/41/64/51/396416451.db2.gz FDNQHDGISYEZQX-SVRRBLITSA-N 0 0 305.381 0.557 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccncn1)CC2 ZINC000191249328 396417546 /nfs/dbraw/zinc/41/75/46/396417546.db2.gz VQNRMYCOKQCWCU-LBPRGKRZSA-N 0 0 300.366 0.694 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCN(C)CC(F)(F)F ZINC000191255406 396417681 /nfs/dbraw/zinc/41/76/81/396417681.db2.gz UENUNCXPOZDWGR-SNVBAGLBSA-N 0 0 324.347 0.791 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(Cc1nc(N(C)C)no1)C1CC1 ZINC000191494224 396420410 /nfs/dbraw/zinc/42/04/10/396420410.db2.gz VDALLIJCOBTIGF-SECBINFHSA-N 0 0 302.400 0.533 10 0 DCAERN CN1CCCN(C(=O)NCc2cccc(C(N)=O)c2)CC1=O ZINC000191935553 396427183 /nfs/dbraw/zinc/42/71/83/396427183.db2.gz CXXQPOKECMMVLW-UHFFFAOYSA-N 0 0 304.350 0.159 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000269617289 396429867 /nfs/dbraw/zinc/42/98/67/396429867.db2.gz SVBRXYZFSADVMU-GFCCVEGCSA-N 0 0 313.313 0.035 10 0 DCAERN CCc1nnc(C2CCN(C(=O)Nc3ncnn3C)CC2)[nH]1 ZINC000192357542 396430734 /nfs/dbraw/zinc/43/07/34/396430734.db2.gz BPIAWTQJPYFGGP-UHFFFAOYSA-N 0 0 304.358 0.907 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000192894072 396439806 /nfs/dbraw/zinc/43/98/06/396439806.db2.gz TZXOSBJAWZOIHH-NSHDSACASA-N 0 0 300.380 0.371 10 0 DCAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cn2cn[nH]c2=O)C1 ZINC000192944171 396441045 /nfs/dbraw/zinc/44/10/45/396441045.db2.gz FWTPIBWAKSFFPG-AWEZNQCLSA-N 0 0 310.354 0.009 10 0 DCAERN Cc1nc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)sc1C ZINC000192970066 396441611 /nfs/dbraw/zinc/44/16/11/396441611.db2.gz ACFFMAWPRPLMDO-JTQLQIEISA-N 0 0 312.395 0.145 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000188080109 396378191 /nfs/dbraw/zinc/37/81/91/396378191.db2.gz OAPFMFXJKOQJHE-LLVKDONJSA-N 0 0 310.398 0.355 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCCNC(=O)[C@@H]2C)cc1C ZINC000188077768 396378288 /nfs/dbraw/zinc/37/82/88/396378288.db2.gz CCKWYAPZDVFSMG-ZDUSSCGKSA-N 0 0 317.389 0.770 10 0 DCAERN CN1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1=O ZINC000188137310 396378797 /nfs/dbraw/zinc/37/87/97/396378797.db2.gz MTBCPJFXZGSBCD-HXUWFJFHSA-N 0 0 303.428 0.407 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)CN2CC(=O)NC2=O)cs1 ZINC000188108006 396379047 /nfs/dbraw/zinc/37/90/47/396379047.db2.gz OUTYAHPJAHYHPW-JTQLQIEISA-N 0 0 308.363 0.667 10 0 DCAERN Cc1noc(COCC(=O)N2CCC(Cn3cncn3)CC2)n1 ZINC000188232529 396380324 /nfs/dbraw/zinc/38/03/24/396380324.db2.gz SJUNWRDEBMQKSS-UHFFFAOYSA-N 0 0 320.353 0.425 10 0 DCAERN CC[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580942763 396512838 /nfs/dbraw/zinc/51/28/38/396512838.db2.gz AQEOIBJCCBKKER-GXTWGEPZSA-N 0 0 321.421 0.905 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)CCC1=O ZINC000269805676 396448483 /nfs/dbraw/zinc/44/84/83/396448483.db2.gz VLDHDVRBJNCARU-QMMMGPOBSA-N 0 0 318.786 0.216 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)n1 ZINC000193511317 396452387 /nfs/dbraw/zinc/45/23/87/396452387.db2.gz GTYMFHDKSWYIKI-SECBINFHSA-N 0 0 324.406 0.771 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)n1 ZINC000193499851 396452668 /nfs/dbraw/zinc/45/26/68/396452668.db2.gz XUYNIPOZZGKGPH-UHFFFAOYSA-N 0 0 324.406 0.896 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000270187901 396462605 /nfs/dbraw/zinc/46/26/05/396462605.db2.gz ZICPBVAGFUVQDE-LBPRGKRZSA-N 0 0 305.382 0.639 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cc(C2CC2)n[nH]1 ZINC000371826914 396477907 /nfs/dbraw/zinc/47/79/07/396477907.db2.gz OIJRXPYKJXZHKK-LBPRGKRZSA-N 0 0 318.377 0.797 10 0 DCAERN O=C(NCCOCCO)C(=O)Nc1cccc2c1OCCC2 ZINC000372000051 396482122 /nfs/dbraw/zinc/48/21/22/396482122.db2.gz ZDNPBWKQSIOTSM-UHFFFAOYSA-N 0 0 308.334 0.075 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1N1CCOCC1 ZINC000372017136 396483012 /nfs/dbraw/zinc/48/30/12/396483012.db2.gz LOZRLFIUPHXFMI-RDBSUJKOSA-N 0 0 309.410 0.082 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(c2ncnc3c(F)cccc32)C1 ZINC000580028682 396484245 /nfs/dbraw/zinc/48/42/45/396484245.db2.gz MMWIKWYTMVLWAS-VIFPVBQESA-N 0 0 310.354 0.897 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@H]2C)CC1=O ZINC000372160157 396493445 /nfs/dbraw/zinc/49/34/45/396493445.db2.gz JGNFXNBUSWLBFK-KKOKHZNYSA-N 0 0 301.412 0.314 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)OC)cc1 ZINC000594822440 396522157 /nfs/dbraw/zinc/52/21/57/396522157.db2.gz MNVORWDOPKSHNK-QWHCGFSZSA-N 0 0 311.359 0.938 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594853714 396528805 /nfs/dbraw/zinc/52/88/05/396528805.db2.gz WHPBOQHSAXIBJE-SDDRHHMPSA-N 0 0 304.412 0.752 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)CCN1CCCC1=O ZINC000526424393 396532432 /nfs/dbraw/zinc/53/24/32/396532432.db2.gz IGWDPMWWSWHWPJ-UHFFFAOYSA-N 0 0 321.381 0.056 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccccc1F ZINC000585738202 396652240 /nfs/dbraw/zinc/65/22/40/396652240.db2.gz RJOXBLZYBBZMBT-UHFFFAOYSA-N 0 0 300.355 0.981 10 0 DCAERN C[C@H](O)c1cn(CC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)nn1 ZINC000373630465 396604150 /nfs/dbraw/zinc/60/41/50/396604150.db2.gz SOFWRXWORXBXSU-XHDPSFHLSA-N 0 0 324.381 0.128 10 0 DCAERN CC(C)n1ccc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)n1 ZINC000562297690 396656199 /nfs/dbraw/zinc/65/61/99/396656199.db2.gz JSYLVLCMEHDYCD-MRXNPFEDSA-N 0 0 318.377 0.693 10 0 DCAERN C[C@H](CN1C[C@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802669 396615563 /nfs/dbraw/zinc/61/55/63/396615563.db2.gz AKANGCALVYWLGG-RDBSUJKOSA-N 0 0 305.440 0.937 10 0 DCAERN COC(OC)[C@H](C)NC(=O)c1cnn(C)c1Br ZINC000293921530 396641719 /nfs/dbraw/zinc/64/17/19/396641719.db2.gz MRMXWWYQWQECKD-LURJTMIESA-N 0 0 306.160 0.920 10 0 DCAERN COCCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374728938 396683122 /nfs/dbraw/zinc/68/31/22/396683122.db2.gz HFENNHCGUANWCI-OLZOCXBDSA-N 0 0 321.439 0.510 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000374749827 396684814 /nfs/dbraw/zinc/68/48/14/396684814.db2.gz JOUAPPDGOZXRTG-JSGCOSHPSA-N 0 0 310.394 0.149 10 0 DCAERN O=C(Cn1ccccc1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375009327 396703229 /nfs/dbraw/zinc/70/32/29/396703229.db2.gz CVWXEZNJQMMQJK-UHFFFAOYSA-N 0 0 302.305 0.717 10 0 DCAERN CSC1(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000589087917 396703408 /nfs/dbraw/zinc/70/34/08/396703408.db2.gz YFWHFYKIWXNZNV-CYBMUJFWSA-N 0 0 314.407 0.016 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000375006073 396703454 /nfs/dbraw/zinc/70/34/54/396703454.db2.gz SWGIYYZPVTZINL-NSHDSACASA-N 0 0 320.345 0.783 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000375220156 396718845 /nfs/dbraw/zinc/71/88/45/396718845.db2.gz IWNLDVJYMJOMFZ-CHWSQXEVSA-N 0 0 303.428 0.122 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375238264 396720185 /nfs/dbraw/zinc/72/01/85/396720185.db2.gz QNWUFMNZVHTOGQ-CYBMUJFWSA-N 0 0 321.352 0.616 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN2c2ncncc2Cl)CC1 ZINC000302633088 396721499 /nfs/dbraw/zinc/72/14/99/396721499.db2.gz JNPIMACNIUNCAH-LBPRGKRZSA-N 0 0 309.801 0.873 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cncnc1CC ZINC000562349566 396659142 /nfs/dbraw/zinc/65/91/42/396659142.db2.gz DAPKOINTXCXFDW-UWVGGRQHSA-N 0 0 322.365 0.225 10 0 DCAERN CCNC(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC000314590425 396784198 /nfs/dbraw/zinc/78/41/98/396784198.db2.gz QWZBOMJSFCIDKT-NSHDSACASA-N 0 0 304.272 0.730 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@]2(OCCO)CCOC2)c1C ZINC000617717070 396787809 /nfs/dbraw/zinc/78/78/09/396787809.db2.gz ACBGNEPSJAVVQI-INIZCTEOSA-N 0 0 324.377 0.732 10 0 DCAERN C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000375673367 396793444 /nfs/dbraw/zinc/79/34/44/396793444.db2.gz GAPAWBHVVUBRBW-BLLLJJGKSA-N 0 0 312.410 0.953 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466540 396751279 /nfs/dbraw/zinc/75/12/79/396751279.db2.gz VCEIYMIUDCPUDP-NSHDSACASA-N 0 0 321.381 0.972 10 0 DCAERN O=C(NCC[C@@H](O)C(F)F)c1sccc1-n1cnnn1 ZINC000633992375 396765031 /nfs/dbraw/zinc/76/50/31/396765031.db2.gz DQGLIEZTFVBEMA-SSDOTTSWSA-N 0 0 303.294 0.470 10 0 DCAERN COC(=O)C(C)(C)[C@@H](NC(=O)Cn1cnnn1)c1ccccc1 ZINC000610823282 396768752 /nfs/dbraw/zinc/76/87/52/396768752.db2.gz ADJBWUWITBBUTK-ZDUSSCGKSA-N 0 0 317.349 0.730 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)C(=O)Cn1nc(C)cc1C ZINC000610840395 396770092 /nfs/dbraw/zinc/77/00/92/396770092.db2.gz WLQWCKMUDFNPTF-ZDUSSCGKSA-N 0 0 311.382 0.925 10 0 DCAERN COC(=O)C(C)(C)[C@H](NC(=O)NC(CO)CO)c1ccccc1 ZINC000610851931 396771983 /nfs/dbraw/zinc/77/19/83/396771983.db2.gz QEHDVIMMCAABOT-CYBMUJFWSA-N 0 0 324.377 0.579 10 0 DCAERN CCN1CC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629503115 396773712 /nfs/dbraw/zinc/77/37/12/396773712.db2.gz LMAPKBBUDSIJON-CQSZACIVSA-N 0 0 318.377 0.567 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC1(CO)CCOCC1 ZINC000375576446 396773906 /nfs/dbraw/zinc/77/39/06/396773906.db2.gz GRPUROIGXIROJE-ZIAGYGMSSA-N 0 0 319.405 0.812 10 0 DCAERN CCOC(=O)c1coc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)n1 ZINC000596437930 396777229 /nfs/dbraw/zinc/77/72/29/396777229.db2.gz YHGRYLKORRTUJW-BDAKNGLRSA-N 0 0 304.324 0.075 10 0 DCAERN CN1CCN(C(=O)COCC(F)(F)F)C[C@@H]1c1ncc[nH]1 ZINC000328625278 396824857 /nfs/dbraw/zinc/82/48/57/396824857.db2.gz KPDNVPCLDAVNEA-SECBINFHSA-N 0 0 306.288 0.804 10 0 DCAERN CCc1nnsc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000328624713 396825018 /nfs/dbraw/zinc/82/50/18/396825018.db2.gz KBBXXRXHTZDDEN-SNVBAGLBSA-N 0 0 306.395 0.953 10 0 DCAERN CCn1c(=O)n(C[C@@H](O)COC(C)C)nc1[C@H]1OCC[C@H]1C ZINC000328639904 396828609 /nfs/dbraw/zinc/82/86/09/396828609.db2.gz PUELESBBAXZUEK-UPJWGTAASA-N 0 0 313.398 0.948 10 0 DCAERN C[S@](=O)c1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000611195434 396832384 /nfs/dbraw/zinc/83/23/84/396832384.db2.gz CEFPKGNHTVTHDS-UZJPJQLHSA-N 0 0 310.379 0.699 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000328817760 396832866 /nfs/dbraw/zinc/83/28/66/396832866.db2.gz OBKWCRPPYOOMBX-DZGCQCFKSA-N 0 0 318.421 0.458 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000375855179 396833837 /nfs/dbraw/zinc/83/38/37/396833837.db2.gz ZILNBXNNOMKWFE-IGQOVBAYSA-N 0 0 310.394 0.365 10 0 DCAERN Cn1cc(-c2nc(CN3CCS(=O)(=O)CC3)cs2)cn1 ZINC000590836037 396847515 /nfs/dbraw/zinc/84/75/15/396847515.db2.gz XTPIUZFRQMXAMP-UHFFFAOYSA-N 0 0 312.420 0.774 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000375956449 396850480 /nfs/dbraw/zinc/85/04/80/396850480.db2.gz XABJRVHSBQPUHG-ZMJPVWNMSA-N 0 0 309.410 0.798 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NC2CN(c3ccncn3)C2)C1 ZINC000634452461 396853901 /nfs/dbraw/zinc/85/39/01/396853901.db2.gz VPXZMEOGGTXFPO-OAHLLOKOSA-N 0 0 303.366 0.040 10 0 DCAERN CCC[C@@H](C(=O)OCC)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431064 396867147 /nfs/dbraw/zinc/86/71/47/396867147.db2.gz KXIWEPUOWVRNOS-ZDUSSCGKSA-N 0 0 309.414 0.963 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634231420 396815846 /nfs/dbraw/zinc/81/58/46/396815846.db2.gz AJAOBCVIDQIXNX-AXFHLTTASA-N 0 0 308.300 0.627 10 0 DCAERN CCS[C@@H]1CCCCN(C(=O)CN2CCOCC2=O)C1 ZINC000376081632 396872535 /nfs/dbraw/zinc/87/25/35/396872535.db2.gz MLFZSDLANNRQDJ-GFCCVEGCSA-N 0 0 300.424 0.979 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000376416676 396926107 /nfs/dbraw/zinc/92/61/07/396926107.db2.gz SPFCSJCKPAZLQL-KXNHARMFSA-N 0 0 315.391 0.221 10 0 DCAERN COC[C@H](NC(=O)c1nc2n(n1)CCCN2)c1ccc(C)o1 ZINC000611802500 396931968 /nfs/dbraw/zinc/93/19/68/396931968.db2.gz BVSKTFGDTDUOCX-JTQLQIEISA-N 0 0 305.338 0.370 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)C(C)(C)C(N)=O)n1 ZINC000618227067 396932789 /nfs/dbraw/zinc/93/27/89/396932789.db2.gz RRQLLEVJIWFVSI-UHFFFAOYSA-N 0 0 313.379 0.490 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1)C(C)C ZINC000618310764 396956886 /nfs/dbraw/zinc/95/68/86/396956886.db2.gz XIVDLKQAXOVZFV-WCQGTBRESA-N 0 0 304.412 0.229 10 0 DCAERN CCOC(=O)CC1CCN(C(=O)NCc2cn(C)nn2)CC1 ZINC000611951032 396957300 /nfs/dbraw/zinc/95/73/00/396957300.db2.gz AYIFSDDACNWCNB-UHFFFAOYSA-N 0 0 309.370 0.690 10 0 DCAERN CCC(O)(CC)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000625633720 396961718 /nfs/dbraw/zinc/96/17/18/396961718.db2.gz UNRALVTWXAVZCF-TXEJJXNPSA-N 0 0 308.444 0.823 10 0 DCAERN CC(=O)CCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571763136 396985489 /nfs/dbraw/zinc/98/54/89/396985489.db2.gz ANMGJWDHHNDOGW-LLVKDONJSA-N 0 0 311.359 0.707 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000376936746 396998603 /nfs/dbraw/zinc/99/86/03/396998603.db2.gz FLDOQSGURVMBMR-UONOGXRCSA-N 0 0 304.346 0.913 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)O1 ZINC000618675889 397009131 /nfs/dbraw/zinc/00/91/31/397009131.db2.gz JLZGGVHRNDSQIR-UTUOFQBUSA-N 0 0 304.412 0.436 10 0 DCAERN CCc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)co1 ZINC000618677079 397010421 /nfs/dbraw/zinc/01/04/21/397010421.db2.gz BCIOBEXJHSYTNF-SECBINFHSA-N 0 0 301.368 0.343 10 0 DCAERN C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCN1S(C)(=O)=O ZINC000618678816 397011637 /nfs/dbraw/zinc/01/16/37/397011637.db2.gz OHOCPXPVQOWEHR-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000377050524 397021087 /nfs/dbraw/zinc/02/10/87/397021087.db2.gz ZOSDMIQMHLHOIE-GFCCVEGCSA-N 0 0 312.366 0.037 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)[nH]c1C ZINC000618756529 397023157 /nfs/dbraw/zinc/02/31/57/397023157.db2.gz HRDBLKNTLMVVKI-MNOVXSKESA-N 0 0 309.366 0.818 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)C1CC1 ZINC000618809011 397027340 /nfs/dbraw/zinc/02/73/40/397027340.db2.gz PULOUGMIDKJLBZ-MXWKQRLJSA-N 0 0 313.398 0.788 10 0 DCAERN CSC1(C(=O)NCCCN2CCCS2(=O)=O)CCC1 ZINC000618821761 397031362 /nfs/dbraw/zinc/03/13/62/397031362.db2.gz BROOXYMSBQEFCA-UHFFFAOYSA-N 0 0 306.453 0.814 10 0 DCAERN COC1(C)CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000408128062 292101933 /nfs/dbraw/zinc/10/19/33/292101933.db2.gz HKQOQSMVSVSRBY-UHFFFAOYSA-N 0 0 323.393 0.734 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000619023962 397065275 /nfs/dbraw/zinc/06/52/75/397065275.db2.gz SJGDIPPEDGOHSI-SDDRHHMPSA-N 0 0 304.412 0.220 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000612571705 397098749 /nfs/dbraw/zinc/09/87/49/397098749.db2.gz CQHVEZYJZKBRBJ-NSHDSACASA-N 0 0 322.365 0.658 10 0 DCAERN c1ncn(CCc2cn(C[C@H]3COc4ccccc4O3)nn2)n1 ZINC000630602247 397059342 /nfs/dbraw/zinc/05/93/42/397059342.db2.gz FJTIZNPANBHKDJ-ZDUSSCGKSA-N 0 0 312.333 0.952 10 0 DCAERN COC(=O)c1cc(C(=O)NC[C@@H](C)N2CCCCC2=O)on1 ZINC000619445430 397130573 /nfs/dbraw/zinc/13/05/73/397130573.db2.gz VQXCZKGUNBPFNZ-SECBINFHSA-N 0 0 309.322 0.592 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CCNC1=O)CC2 ZINC000612999794 397177367 /nfs/dbraw/zinc/17/73/67/397177367.db2.gz SDMKNGXSFFFSMW-HNNXBMFYSA-N 0 0 300.358 0.953 10 0 DCAERN COC(=O)CN(Cc1ccccc1)C(=O)c1cnn(C)c1N ZINC000612737265 397130732 /nfs/dbraw/zinc/13/07/32/397130732.db2.gz VTULXRIVURUUCH-UHFFFAOYSA-N 0 0 302.334 0.818 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(C)(C)O ZINC000626508869 397178748 /nfs/dbraw/zinc/17/87/48/397178748.db2.gz JPQXIESXBUBHCK-UHFFFAOYSA-N 0 0 315.414 0.073 10 0 DCAERN COc1ccccc1CN(CCO)C(=O)c1cn[nH]c(=O)c1 ZINC000612673679 397116015 /nfs/dbraw/zinc/11/60/15/397116015.db2.gz RAVWOUNKJYJNSM-UHFFFAOYSA-N 0 0 303.318 0.826 10 0 DCAERN CCN1CC[C@H](NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O ZINC000619825659 397197251 /nfs/dbraw/zinc/19/72/51/397197251.db2.gz WSRHHHHPHDGHPO-JTQLQIEISA-N 0 0 307.350 0.769 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C[C@H](C(N)=O)O1 ZINC000378131216 397197219 /nfs/dbraw/zinc/19/72/19/397197219.db2.gz HHDDRCOKFIKFIX-XGFWRYKXSA-N 0 0 311.426 0.502 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1CCCC[C@H](CO)C1 ZINC000378206589 397212336 /nfs/dbraw/zinc/21/23/36/397212336.db2.gz QBTZCZSYFBORBD-LBPRGKRZSA-N 0 0 306.362 0.785 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000619984916 397219900 /nfs/dbraw/zinc/21/99/00/397219900.db2.gz OAZOXZGDDYLXFH-ZIAGYGMSSA-N 0 0 324.425 0.602 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCOCC(=O)OC(C)(C)C)C(C)C ZINC000601755151 397237688 /nfs/dbraw/zinc/23/76/88/397237688.db2.gz FLBZXWSTCCFYSK-CYBMUJFWSA-N 0 0 316.398 0.622 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@H]3COC[C@H]3C2)cs1 ZINC000620152748 397245593 /nfs/dbraw/zinc/24/55/93/397245593.db2.gz BLNBEZTXFASDAB-WCBMZHEXSA-N 0 0 316.404 0.504 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3COC[C@H]3C2)cs1 ZINC000620152746 397245709 /nfs/dbraw/zinc/24/57/09/397245709.db2.gz BLNBEZTXFASDAB-PSASIEDQSA-N 0 0 316.404 0.504 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@H](C(=O)NC(C)C)C1)C(C)C ZINC000620409132 397267325 /nfs/dbraw/zinc/26/73/25/397267325.db2.gz WMILPTUKBZCZPH-UONOGXRCSA-N 0 0 311.426 0.910 10 0 DCAERN CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H]3CCCCCN3C2=O)C1 ZINC000365354317 397269921 /nfs/dbraw/zinc/26/99/21/397269921.db2.gz JRUZNDJAJGFGEB-NEPJUHHUSA-N 0 0 308.382 0.997 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000613584765 397282299 /nfs/dbraw/zinc/28/22/99/397282299.db2.gz XDRBCNUFDAVLTK-GFCCVEGCSA-N 0 0 302.334 0.558 10 0 DCAERN CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)[C@H](C)O ZINC000386907993 397290712 /nfs/dbraw/zinc/29/07/12/397290712.db2.gz PQHDRUOIMIMZLS-CABZTGNLSA-N 0 0 301.364 0.911 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)c1cccc2nccnc21 ZINC000574844659 397304046 /nfs/dbraw/zinc/30/40/46/397304046.db2.gz QTHGYNPXYFWJAP-SNVBAGLBSA-N 0 0 305.359 0.937 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2F)CCN1 ZINC000396697982 397311065 /nfs/dbraw/zinc/31/10/65/397311065.db2.gz HFMBIVFRESUFOK-SECBINFHSA-N 0 0 304.318 0.912 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H]2CCNC(=O)CC2)C1 ZINC000396702492 397312021 /nfs/dbraw/zinc/31/20/21/397312021.db2.gz JCGVBOBUWHVTQX-GRYCIOLGSA-N 0 0 303.428 0.467 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H](O)CC[C@H]1C ZINC000399312643 397314659 /nfs/dbraw/zinc/31/46/59/397314659.db2.gz RRZMBUKZLQHWBW-SFYZADRCSA-N 0 0 320.392 0.464 10 0 DCAERN C[C@H](c1nnnn1C1CC1)N1CCc2ncnc(N(C)C)c2C1 ZINC000365272054 397257867 /nfs/dbraw/zinc/25/78/67/397257867.db2.gz WXDXEEWZWYLVTD-SNVBAGLBSA-N 0 0 314.397 0.983 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cncc(F)c1 ZINC000626848838 397260216 /nfs/dbraw/zinc/26/02/16/397260216.db2.gz XJYXPSYJXHNPJV-UHFFFAOYSA-N 0 0 324.356 0.969 10 0 DCAERN O=C([C@H]1CCC(=O)c2cccn21)N1CCN2CCOC[C@H]2C1 ZINC000577452082 397332318 /nfs/dbraw/zinc/33/23/18/397332318.db2.gz KSCGYYJBNFLUFL-TZMCWYRMSA-N 0 0 303.362 0.549 10 0 DCAERN C[C@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)CC(=O)N1C ZINC000407950531 397333580 /nfs/dbraw/zinc/33/35/80/397333580.db2.gz AITGVITWANXNPO-WVDJIFEKSA-N 0 0 301.412 0.160 10 0 DCAERN CN(CC(F)(F)F)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000407952162 397334669 /nfs/dbraw/zinc/33/46/69/397334669.db2.gz FQIQWZUXXGTIGR-ZETCQYMHSA-N 0 0 303.306 0.353 10 0 DCAERN C[C@@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CC(=O)N1C ZINC000407954727 397335701 /nfs/dbraw/zinc/33/57/01/397335701.db2.gz FDMFBQVXRCOWTG-GFCCVEGCSA-N 0 0 310.398 0.261 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CCC(=O)NC1 ZINC000407957115 397336058 /nfs/dbraw/zinc/33/60/58/397336058.db2.gz KWYUVVNALJZYAW-QGZVFWFLSA-N 0 0 315.373 0.778 10 0 DCAERN Cc1nn(C)cc1[C@H]1CCCN1C(=O)CN1CCOCC1=O ZINC000366151754 397342912 /nfs/dbraw/zinc/34/29/12/397342912.db2.gz NFGUVAMYTJTLAV-CYBMUJFWSA-N 0 0 306.366 0.251 10 0 DCAERN CCS[C@@H]1CCCCN(C(=O)CNS(=O)(=O)NC)C1 ZINC000407994791 397343765 /nfs/dbraw/zinc/34/37/65/397343765.db2.gz DZXFHEYGUIXCPZ-SNVBAGLBSA-N 0 0 309.457 0.174 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053230 397344768 /nfs/dbraw/zinc/34/47/68/397344768.db2.gz NZNBVQICNOEKSL-RNJOBUHISA-N 0 0 314.357 0.209 10 0 DCAERN C[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)N(C)CC(F)(F)F ZINC000408053889 397344854 /nfs/dbraw/zinc/34/48/54/397344854.db2.gz WWVOFHJCWVWFTQ-AEJSXWLSSA-N 0 0 322.331 0.494 10 0 DCAERN CCNC(=O)NC(=O)CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408042448 397344856 /nfs/dbraw/zinc/34/48/56/397344856.db2.gz HGXWKZCVFKANTM-XQQFMLRXSA-N 0 0 313.398 0.084 10 0 DCAERN OC[C@H]1C[C@H](O)CN1c1ncccc1I ZINC000408195715 397349588 /nfs/dbraw/zinc/34/95/88/397349588.db2.gz TYUSYHQOKXTLKS-SFYZADRCSA-N 0 0 320.130 0.618 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)CC(F)(F)F ZINC000408306168 397352767 /nfs/dbraw/zinc/35/27/67/397352767.db2.gz BLFUGRIBOOYSTE-RNFRBKRXSA-N 0 0 309.331 0.386 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408301544 397352991 /nfs/dbraw/zinc/35/29/91/397352991.db2.gz BERNXNGWCSCNKC-ZMDVIYJKSA-N 0 0 311.411 0.664 10 0 DCAERN c1ncn(-c2cncc(N[C@@H]3CCCN(c4ncccn4)C3)n2)n1 ZINC000620930171 397322770 /nfs/dbraw/zinc/32/27/70/397322770.db2.gz BFHSEGXXZPOBNQ-GFCCVEGCSA-N 0 0 323.364 0.928 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)NCCOCC1CCC1 ZINC000577333140 397323285 /nfs/dbraw/zinc/32/32/85/397323285.db2.gz HEJUJTORZYGEEW-UHFFFAOYSA-N 0 0 311.382 0.641 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000471984878 397451873 /nfs/dbraw/zinc/45/18/73/397451873.db2.gz IUOFWPZMTHBPCE-ZYHUDNBSSA-N 0 0 309.370 0.660 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccc2nccn2c1 ZINC000614175910 397392541 /nfs/dbraw/zinc/39/25/41/397392541.db2.gz OGIWISHZAYHPMB-CQSZACIVSA-N 0 0 306.322 0.770 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1(C)C ZINC000578279141 397414172 /nfs/dbraw/zinc/41/41/72/397414172.db2.gz GWCHKINVXDFRKH-FRRDWIJNSA-N 0 0 310.394 0.554 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CCCC12CC2 ZINC000599520531 397463988 /nfs/dbraw/zinc/46/39/88/397463988.db2.gz PZJLDPWYEWCJCY-LLVKDONJSA-N 0 0 304.412 0.896 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CC1CCOCC1 ZINC000487138456 397467056 /nfs/dbraw/zinc/46/70/56/397467056.db2.gz NECBNJQDVFPKPM-WDEREUQCSA-N 0 0 314.382 0.376 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593862623 397460120 /nfs/dbraw/zinc/46/01/20/397460120.db2.gz KCMDHJDQSTVWHS-VUCVNMQBSA-N 0 0 307.371 1.000 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H]1CCOC1 ZINC000488289552 397488625 /nfs/dbraw/zinc/48/86/25/397488625.db2.gz UGAHKXGKTMXSHC-SRVKXCTJSA-N 0 0 314.382 0.376 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CCO1 ZINC000370539199 397498172 /nfs/dbraw/zinc/49/81/72/397498172.db2.gz RBGVVPRFNHUJMT-LPWJVIDDSA-N 0 0 312.366 0.527 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)CCS1(=O)=O ZINC000330280292 296560732 /nfs/dbraw/zinc/56/07/32/296560732.db2.gz SFMAHJXLXMFOOH-MNOVXSKESA-N 0 0 311.425 0.004 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)NCCOCC2CCC2)C1 ZINC000579260286 397546548 /nfs/dbraw/zinc/54/65/48/397546548.db2.gz KLHXTJIJNJJIME-GFCCVEGCSA-N 0 0 319.427 0.266 10 0 DCAERN CN(Cc1cnccn1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000605167620 397661351 /nfs/dbraw/zinc/66/13/51/397661351.db2.gz HCDFWQWDGCSUBW-UHFFFAOYSA-N 0 0 321.362 0.788 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884295 397625284 /nfs/dbraw/zinc/62/52/84/397625284.db2.gz RIJPDAFCTGCUEX-LLVKDONJSA-N 0 0 308.363 0.697 10 0 DCAERN C[C@@H](CCO)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000608099167 397716900 /nfs/dbraw/zinc/71/69/00/397716900.db2.gz ILLCZTNXIPAFTN-VIFPVBQESA-N 0 0 315.347 0.540 10 0 DCAERN Cc1cnn(CC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000608246716 397723842 /nfs/dbraw/zinc/72/38/42/397723842.db2.gz VUNWAFMHFCHFTO-AWEZNQCLSA-N 0 0 318.381 0.327 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605847201 397672310 /nfs/dbraw/zinc/67/23/10/397672310.db2.gz IZDPRLMKTOFDGJ-UKRRQHHQSA-N 0 0 322.453 0.886 10 0 DCAERN C[C@@H]1OCCN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C(F)(F)F ZINC000606444687 397681430 /nfs/dbraw/zinc/68/14/30/397681430.db2.gz FYYYMPLSWZCYQI-CIUDSAMLSA-N 0 0 315.313 0.599 10 0 DCAERN CN1CCN(C(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1=O ZINC000607117206 397695913 /nfs/dbraw/zinc/69/59/13/397695913.db2.gz BZGQBVBSSFHILG-UHFFFAOYSA-N 0 0 312.329 0.763 10 0 DCAERN Cc1c(C(=O)N[C@H](C)c2nnc3n2CCCCC3)nnn1C ZINC000607624994 397703384 /nfs/dbraw/zinc/70/33/84/397703384.db2.gz ZJVJMGOIYYETKL-SECBINFHSA-N 0 0 303.370 0.932 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2cc(C)n[nH]2)cc1 ZINC000610005474 397800099 /nfs/dbraw/zinc/80/00/99/397800099.db2.gz TWJYLQZORLHHOK-UHFFFAOYSA-N 0 0 309.347 0.983 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CCSC2)CC12COC2 ZINC000454574455 285883248 /nfs/dbraw/zinc/88/32/48/285883248.db2.gz BKGBAIJCWXPCKS-QWRGUYRKSA-N 0 0 314.407 0.713 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408245271 286029769 /nfs/dbraw/zinc/02/97/69/286029769.db2.gz TYPKJPILGXYBPZ-SRVKXCTJSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000333481287 296613897 /nfs/dbraw/zinc/61/38/97/296613897.db2.gz SJHSBNBQJZLDQR-RAIGVLPGSA-N 0 0 316.423 0.773 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@H]1CC ZINC000195262458 286089595 /nfs/dbraw/zinc/08/95/95/286089595.db2.gz RJXPMMNWPQUKBY-ZIAGYGMSSA-N 0 0 322.471 0.784 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCOCC1CC1 ZINC000172989435 685142948 /nfs/dbraw/zinc/14/29/48/685142948.db2.gz XVKJFWYPEAXCAF-NEPJUHHUSA-N 0 0 306.428 0.747 10 0 DCAERN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408031688 289258431 /nfs/dbraw/zinc/25/84/31/289258431.db2.gz OPXQLJCUZRGVKT-JQWIXIFHSA-N 0 0 301.412 0.268 10 0 DCAERN COc1cc(N2CCN([C@H]3CCCCNC3=O)CC2)ncn1 ZINC000184068576 286229733 /nfs/dbraw/zinc/22/97/33/286229733.db2.gz ZDSFLOCAJDYJHE-LBPRGKRZSA-N 0 0 305.382 0.276 10 0 DCAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000189095130 286516057 /nfs/dbraw/zinc/51/60/57/286516057.db2.gz QSRGUXZLHNCWRA-MQYQWHSLSA-N 0 0 312.410 0.630 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000329441381 304404399 /nfs/dbraw/zinc/40/43/99/304404399.db2.gz AIRCHWBPPTWQDN-KQXIARHKSA-N 0 0 323.311 0.954 10 0 DCAERN COC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000027472439 157983168 /nfs/dbraw/zinc/98/31/68/157983168.db2.gz VJIXYEADYDSHEQ-UWVGGRQHSA-N 0 0 318.370 0.644 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(C)s1 ZINC000051164308 158013448 /nfs/dbraw/zinc/01/34/48/158013448.db2.gz AQDIOVWADOEIFH-VIFPVBQESA-N 0 0 304.393 0.240 10 0 DCAERN CC(=O)NCCNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000054039397 158020212 /nfs/dbraw/zinc/02/02/12/158020212.db2.gz XWTCEQQKRSYJEP-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000055110779 158021537 /nfs/dbraw/zinc/02/15/37/158021537.db2.gz CPSVPDYPVKNIIQ-CYBMUJFWSA-N 0 0 323.418 0.534 10 0 DCAERN CCCC(=O)NCC(=O)NCc1ccc(C(=O)NCC)cc1 ZINC000054794533 158021550 /nfs/dbraw/zinc/02/15/50/158021550.db2.gz KTOOLKOOQBIDEK-UHFFFAOYSA-N 0 0 305.378 0.969 10 0 DCAERN CCn1c(SC[C@H](O)CN2CCOCC2)nnc1C1CC1 ZINC000066401277 158036381 /nfs/dbraw/zinc/03/63/81/158036381.db2.gz DHUAKGRSMIJGSI-GFCCVEGCSA-N 0 0 312.439 0.961 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067197841 158039652 /nfs/dbraw/zinc/03/96/52/158039652.db2.gz BLCWOEFXYLTEAX-SMDDNHRTSA-N 0 0 305.378 0.327 10 0 DCAERN Nc1ccccc1S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000069140830 158044723 /nfs/dbraw/zinc/04/47/23/158044723.db2.gz XMUHOOPSUMTPDD-SECBINFHSA-N 0 0 304.393 0.124 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCSC2)cc1 ZINC000070438429 158048067 /nfs/dbraw/zinc/04/80/67/158048067.db2.gz IKZBCTUZVRKISP-JTQLQIEISA-N 0 0 300.405 0.703 10 0 DCAERN O=C([C@@H]1CSC(=O)N1)N1CCCN(CC(F)(F)F)CC1 ZINC000073086402 158054266 /nfs/dbraw/zinc/05/42/66/158054266.db2.gz CDGOOOSZERTTQK-QMMMGPOBSA-N 0 0 311.329 0.908 10 0 DCAERN CC(C)(O)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000075236931 158062489 /nfs/dbraw/zinc/06/24/89/158062489.db2.gz SYHWALCNDOXSSE-LLVKDONJSA-N 0 0 300.424 0.965 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077747403 158070040 /nfs/dbraw/zinc/07/00/40/158070040.db2.gz DHZGTASJWIMJPA-XVKPBYJWSA-N 0 0 304.285 0.265 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081471706 158083671 /nfs/dbraw/zinc/08/36/71/158083671.db2.gz YRYVNOIJRITHKN-LLVKDONJSA-N 0 0 311.304 0.467 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000083613923 158087083 /nfs/dbraw/zinc/08/70/83/158087083.db2.gz RPDBVAJILGHSFL-GFCCVEGCSA-N 0 0 304.412 0.486 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000088768714 158094281 /nfs/dbraw/zinc/09/42/81/158094281.db2.gz GGEQENWTLBTGDD-SNVBAGLBSA-N 0 0 304.368 0.978 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@H]1O ZINC000089165756 158096263 /nfs/dbraw/zinc/09/62/63/158096263.db2.gz JALLMCDQOXWXRI-CMPLNLGQSA-N 0 0 313.375 0.913 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC[C@@H]1O ZINC000089165755 158096323 /nfs/dbraw/zinc/09/63/23/158096323.db2.gz JALLMCDQOXWXRI-PWSUYJOCSA-N 0 0 313.375 0.913 10 0 DCAERN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CNC(=O)C1 ZINC000090501049 158103111 /nfs/dbraw/zinc/10/31/11/158103111.db2.gz MVBOOYJFBUVLIQ-KGLIPLIRSA-N 0 0 315.373 0.430 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091630681 158109726 /nfs/dbraw/zinc/10/97/26/158109726.db2.gz PEPKXKZEYHJEPJ-CYBMUJFWSA-N 0 0 321.425 0.945 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCc2ncn(C)n2)cc1F ZINC000092379099 158114029 /nfs/dbraw/zinc/11/40/29/158114029.db2.gz XTUTXCXMTIXIPI-UHFFFAOYSA-N 0 0 305.313 0.772 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC000092771979 158114878 /nfs/dbraw/zinc/11/48/78/158114878.db2.gz SXPCHVUDTZORAZ-LBPRGKRZSA-N 0 0 311.407 0.852 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000092569782 158115370 /nfs/dbraw/zinc/11/53/70/158115370.db2.gz HSNJHJWWZZNVOT-WCQYABFASA-N 0 0 318.439 0.589 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092642729 158115830 /nfs/dbraw/zinc/11/58/30/158115830.db2.gz FLCMUYKNENOOOA-CABZTGNLSA-N 0 0 315.333 0.034 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000097371079 158125566 /nfs/dbraw/zinc/12/55/66/158125566.db2.gz ZKXTVKVYMOJBTP-LBPRGKRZSA-N 0 0 323.418 0.534 10 0 DCAERN CC[C@@H](C(N)=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867692 158130764 /nfs/dbraw/zinc/13/07/64/158130764.db2.gz HVLWTCMSAAQSCC-LBPRGKRZSA-N 0 0 307.398 0.719 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc(N)nc(N)n1 ZINC000105895157 158131948 /nfs/dbraw/zinc/13/19/48/158131948.db2.gz KELPXOWAFWLDIR-SNVBAGLBSA-N 0 0 302.386 0.723 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)c1 ZINC000105885744 158132299 /nfs/dbraw/zinc/13/22/99/158132299.db2.gz ZTJWAGAEZKBDQR-RYUDHWBXSA-N 0 0 314.411 0.293 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CCNS(C)(=O)=O)C2)no1 ZINC000107300348 158134756 /nfs/dbraw/zinc/13/47/56/158134756.db2.gz JSKCTDUBOGDFQL-NSHDSACASA-N 0 0 302.400 0.182 10 0 DCAERN CN1CCN(C(=O)CC2CCN([C@H]3CCOC3=O)CC2)CC1 ZINC000109789197 158138153 /nfs/dbraw/zinc/13/81/53/158138153.db2.gz NPVKKDUUKYFWPM-AWEZNQCLSA-N 0 0 309.410 0.178 10 0 DCAERN CC[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896736 158138730 /nfs/dbraw/zinc/13/87/30/158138730.db2.gz USMYAAADAMERTK-ZIAGYGMSSA-N 0 0 311.426 0.424 10 0 DCAERN CNC(=O)[C@H]1CCCN(Cc2noc(C3CCOCC3)n2)C1 ZINC000111269319 158140093 /nfs/dbraw/zinc/14/00/93/158140093.db2.gz NFVWOFLKVDHLJI-LBPRGKRZSA-N 0 0 308.382 0.922 10 0 DCAERN CCOC(=O)N[C@H](C(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000112647430 158142091 /nfs/dbraw/zinc/14/20/91/158142091.db2.gz BSQITQRXEZWOIG-JQWIXIFHSA-N 0 0 309.370 0.480 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650597 158149274 /nfs/dbraw/zinc/14/92/74/158149274.db2.gz NQPZTBPOPFOGMA-UISBYWKRSA-N 0 0 310.375 0.410 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000114407695 158152954 /nfs/dbraw/zinc/15/29/54/158152954.db2.gz JIRDFMDNRXODPF-ZYHUDNBSSA-N 0 0 308.407 0.695 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114583839 158154255 /nfs/dbraw/zinc/15/42/55/158154255.db2.gz JFDFDYWNJVQFAZ-CYBMUJFWSA-N 0 0 318.377 0.617 10 0 DCAERN NC(=O)NCCC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114558495 158154878 /nfs/dbraw/zinc/15/48/78/158154878.db2.gz FJLNHLLZSUFTMC-LBPRGKRZSA-N 0 0 304.350 0.357 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1)CC2 ZINC000114865795 158159273 /nfs/dbraw/zinc/15/92/73/158159273.db2.gz DMFUDFHDOSNQHA-GFCCVEGCSA-N 0 0 313.361 0.910 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114869991 158159277 /nfs/dbraw/zinc/15/92/77/158159277.db2.gz VAFPJLGGBDWVOC-SNVBAGLBSA-N 0 0 309.370 0.408 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1c(C)n[nH]c1C)CC2 ZINC000114898000 158159360 /nfs/dbraw/zinc/15/93/60/158159360.db2.gz FBUHFQAIBPXKFA-NSHDSACASA-N 0 0 302.382 0.854 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000116558982 158166438 /nfs/dbraw/zinc/16/64/38/158166438.db2.gz SIZTVAGCJWHVBD-NWDGAFQWSA-N 0 0 310.398 0.211 10 0 DCAERN Cc1ccc(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116929933 158168275 /nfs/dbraw/zinc/16/82/75/158168275.db2.gz CTMIZBKGKFKLSY-ZDUSSCGKSA-N 0 0 311.407 0.828 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116955827 158168950 /nfs/dbraw/zinc/16/89/50/158168950.db2.gz KTPSUSMUYMMZRS-BIBXISHDSA-N 0 0 305.444 0.163 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891797 158169091 /nfs/dbraw/zinc/16/90/91/158169091.db2.gz TUWSSFBFYVBXSG-YPMHNXCESA-N 0 0 317.455 0.447 10 0 DCAERN COCCN1CCN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C ZINC000117291043 158169588 /nfs/dbraw/zinc/16/95/88/158169588.db2.gz ZQFGDHRBRVCBCK-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000117369631 158171691 /nfs/dbraw/zinc/17/16/91/158171691.db2.gz ZQOYUKGENOTKGW-UONOGXRCSA-N 0 0 319.471 0.616 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000117369386 158172375 /nfs/dbraw/zinc/17/23/75/158172375.db2.gz DXVCRVWVLRSRRC-QWHCGFSZSA-N 0 0 306.428 0.005 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)COC[C@@H]1CCOC1)CC2 ZINC000117806546 158173497 /nfs/dbraw/zinc/17/34/97/158173497.db2.gz YZSJNXJWEFGEPH-NEPJUHHUSA-N 0 0 308.382 0.325 10 0 DCAERN Cc1cnn(CCNC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)c1 ZINC000117817569 158174551 /nfs/dbraw/zinc/17/45/51/158174551.db2.gz OKMIXAJBYLEMBB-UHFFFAOYSA-N 0 0 314.349 0.505 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000118720704 158178371 /nfs/dbraw/zinc/17/83/71/158178371.db2.gz KZVGGCONFFEXJD-SNVBAGLBSA-N 0 0 302.334 0.472 10 0 DCAERN NC(=O)c1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cn1 ZINC000119021069 158181571 /nfs/dbraw/zinc/18/15/71/158181571.db2.gz YAJXOPBCCGCPPV-ZDUSSCGKSA-N 0 0 314.345 0.906 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000119155273 158184037 /nfs/dbraw/zinc/18/40/37/158184037.db2.gz FESFARPLEAMGBQ-JTQLQIEISA-N 0 0 307.228 0.447 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(OC)nn2)C[C@H]1C ZINC000119149310 158184271 /nfs/dbraw/zinc/18/42/71/158184271.db2.gz UXTLYACEMIICPA-GFCCVEGCSA-N 0 0 308.382 0.668 10 0 DCAERN O=C(CC(F)(F)F)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119926638 158191298 /nfs/dbraw/zinc/19/12/98/158191298.db2.gz LOKJFALDMUEEAO-VIFPVBQESA-N 0 0 314.329 0.965 10 0 DCAERN NC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000120221824 158194370 /nfs/dbraw/zinc/19/43/70/158194370.db2.gz DSKMGXYUVYIOKW-NSHDSACASA-N 0 0 310.423 0.745 10 0 DCAERN CN(CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)S(C)(=O)=O ZINC000120339105 158196017 /nfs/dbraw/zinc/19/60/17/158196017.db2.gz IWXNRRKCTNYWOZ-YPMHNXCESA-N 0 0 304.412 0.031 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120487924 158199173 /nfs/dbraw/zinc/19/91/73/158199173.db2.gz ZHPJZAVWLXJRQA-NSHDSACASA-N 0 0 318.377 0.428 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120487765 158199214 /nfs/dbraw/zinc/19/92/14/158199214.db2.gz ZHPJZAVWLXJRQA-LLVKDONJSA-N 0 0 318.377 0.428 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120571392 158201323 /nfs/dbraw/zinc/20/13/23/158201323.db2.gz AJURTORBOOPMQI-KGLIPLIRSA-N 0 0 303.362 0.839 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120802388 158204359 /nfs/dbraw/zinc/20/43/59/158204359.db2.gz JYDYDRLKHOIWOE-NSHDSACASA-N 0 0 317.349 0.853 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(CC)CC(C)(C)O)CC2 ZINC000121520390 158211441 /nfs/dbraw/zinc/21/14/41/158211441.db2.gz WCPNXPJZTFBXHW-NSHDSACASA-N 0 0 309.414 0.958 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cn3ccsc3n2)CCS1(=O)=O ZINC000121681066 158213506 /nfs/dbraw/zinc/21/35/06/158213506.db2.gz AETZHRDTQPNEKA-SECBINFHSA-N 0 0 313.404 0.584 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000121948658 158216678 /nfs/dbraw/zinc/21/66/78/158216678.db2.gz JPHIGVMFQMULJU-JQWIXIFHSA-N 0 0 306.366 0.862 10 0 DCAERN CC(=O)N(C)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122149042 158218802 /nfs/dbraw/zinc/21/88/02/158218802.db2.gz SIYNXVNKEVSCMC-CYBMUJFWSA-N 0 0 305.382 0.382 10 0 DCAERN COc1cccc(CS(=O)(=O)CC(=O)NC(C)(C)C)n1 ZINC000122524909 158221787 /nfs/dbraw/zinc/22/17/87/158221787.db2.gz ZTSAVWJGUYHBAM-UHFFFAOYSA-N 0 0 300.380 0.920 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000122563432 158222028 /nfs/dbraw/zinc/22/20/28/158222028.db2.gz APRCDPLFZAOILW-SDDRHHMPSA-N 0 0 300.424 0.965 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000123643529 158233390 /nfs/dbraw/zinc/23/33/90/158233390.db2.gz XCTHAGTWMKOOBS-GFCCVEGCSA-N 0 0 318.381 0.067 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCc1csc(=O)[nH]1 ZINC000124356847 158241158 /nfs/dbraw/zinc/24/11/58/158241158.db2.gz POSKHWVTKDUVMO-UHFFFAOYSA-N 0 0 304.331 0.396 10 0 DCAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000124327905 158241455 /nfs/dbraw/zinc/24/14/55/158241455.db2.gz ISYDFRFOSKDGTA-CYBMUJFWSA-N 0 0 304.394 0.995 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000125019079 158249195 /nfs/dbraw/zinc/24/91/95/158249195.db2.gz YWMIBOYPHMLDIM-NSHDSACASA-N 0 0 308.386 0.054 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@@H]1CSC(=O)N1 ZINC000125049165 158250427 /nfs/dbraw/zinc/25/04/27/158250427.db2.gz XVZTTZBMSYOPLY-WPRPVWTQSA-N 0 0 310.354 0.741 10 0 DCAERN C[C@H](CNC(=O)C[C@H]1c2ccccc2NC1=O)N1CCOCC1 ZINC000125076297 158250712 /nfs/dbraw/zinc/25/07/12/158250712.db2.gz KGWAUWVULZEAHN-OCCSQVGLSA-N 0 0 317.389 0.949 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)O1 ZINC000125464928 158255258 /nfs/dbraw/zinc/25/52/58/158255258.db2.gz YGTBKTZNYFJWSW-KCJUWKMLSA-N 0 0 318.333 0.138 10 0 DCAERN CN(C)c1ncc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000125968487 158260355 /nfs/dbraw/zinc/26/03/55/158260355.db2.gz GCMNIVVVWTXWHL-VIFPVBQESA-N 0 0 315.337 0.257 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NCc1ccc2c(c1)OCO2 ZINC000126030469 158261689 /nfs/dbraw/zinc/26/16/89/158261689.db2.gz YIMVDFGIOCSDQJ-UHFFFAOYSA-N 0 0 317.389 0.812 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126172019 158262139 /nfs/dbraw/zinc/26/21/39/158262139.db2.gz ZTJMNPORXLJGNO-LBPRGKRZSA-N 0 0 318.385 0.327 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC3(CCC3)C2)C1 ZINC000127615287 158274330 /nfs/dbraw/zinc/27/43/30/158274330.db2.gz LLOLUAWWQFWNLL-GFCCVEGCSA-N 0 0 316.423 0.440 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCOc1ccc(Cl)cn1 ZINC000127880239 158277500 /nfs/dbraw/zinc/27/75/00/158277500.db2.gz MAARICGZNFKPFZ-UHFFFAOYSA-N 0 0 322.752 0.981 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)NCc1ccnc(-n2cccn2)c1 ZINC000128854437 158284112 /nfs/dbraw/zinc/28/41/12/158284112.db2.gz LXQCQWYTEBAMTJ-GFCCVEGCSA-N 0 0 300.318 0.837 10 0 DCAERN COC(=O)CNC(=O)CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128985090 158285165 /nfs/dbraw/zinc/28/51/65/158285165.db2.gz GQIWVHUNNIIWSI-AWEZNQCLSA-N 0 0 324.352 0.797 10 0 DCAERN CNC(=O)CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000129391112 158288358 /nfs/dbraw/zinc/28/83/58/158288358.db2.gz JYOHLANGSDTPRG-UHFFFAOYSA-N 0 0 322.384 0.200 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000129497315 158289713 /nfs/dbraw/zinc/28/97/13/158289713.db2.gz LKOYSNDACGRFNE-IWSPIJDZSA-N 0 0 309.288 0.626 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CCSc1nnnn1C ZINC000131480069 158303372 /nfs/dbraw/zinc/30/33/72/158303372.db2.gz GNSGOQPNZABQOW-UHFFFAOYSA-N 0 0 323.426 0.861 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N(CCO)C3CC3)CC2)n1 ZINC000132533828 158311829 /nfs/dbraw/zinc/31/18/29/158311829.db2.gz JALJLCOWTMCSBQ-UHFFFAOYSA-N 0 0 320.393 0.685 10 0 DCAERN C[C@H](NC(=O)[C@H]1CO[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000132818172 158314499 /nfs/dbraw/zinc/31/44/99/158314499.db2.gz DPOUIPJBGBQCMH-JFGNBEQYSA-N 0 0 312.391 0.936 10 0 DCAERN COCCCCS(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000133572798 158320303 /nfs/dbraw/zinc/32/03/03/158320303.db2.gz MRLLKJSLNPOLJC-UHFFFAOYSA-N 0 0 306.428 0.735 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CC2 ZINC000133799115 158322093 /nfs/dbraw/zinc/32/20/93/158322093.db2.gz SCAAKTWDVQJRNO-VXGBXAGGSA-N 0 0 319.409 0.701 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(O)cc3)CCO2)[nH]1 ZINC000134015442 158323104 /nfs/dbraw/zinc/32/31/04/158323104.db2.gz VPEZIYSSNYBKLQ-ZDUSSCGKSA-N 0 0 302.334 0.961 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134794403 158331242 /nfs/dbraw/zinc/33/12/42/158331242.db2.gz SGHXRXVCXATHCV-GXSJLCMTSA-N 0 0 310.785 0.955 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135351788 158336433 /nfs/dbraw/zinc/33/64/33/158336433.db2.gz IGOXGMYRLINPKP-MNOVXSKESA-N 0 0 305.382 0.660 10 0 DCAERN COC(=O)[C@H]1COCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000135573413 158339181 /nfs/dbraw/zinc/33/91/81/158339181.db2.gz URTWFPGCEUCXPH-UTSBKAFOSA-N 0 0 311.359 0.861 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135773845 158340051 /nfs/dbraw/zinc/34/00/51/158340051.db2.gz ROKMDRVSOXAHOB-ZDUSSCGKSA-N 0 0 316.365 0.871 10 0 DCAERN CC(C)NC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722072 158340079 /nfs/dbraw/zinc/34/00/79/158340079.db2.gz SACQCRPVMPINJG-LBPRGKRZSA-N 0 0 303.428 0.011 10 0 DCAERN CN1CC[C@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1=O ZINC000135745847 158340364 /nfs/dbraw/zinc/34/03/64/158340364.db2.gz GFFKGGQMDWQQLR-JSGCOSHPSA-N 0 0 303.362 0.930 10 0 DCAERN C[C@H](O)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000136049833 158340974 /nfs/dbraw/zinc/34/09/74/158340974.db2.gz FHKDSGHTMJGDDZ-ZFWWWQNUSA-N 0 0 304.390 0.965 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CO)ncn1 ZINC000152456814 158348866 /nfs/dbraw/zinc/34/88/66/158348866.db2.gz XRIBONYLBXURSZ-WDEREUQCSA-N 0 0 308.386 0.167 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156833535 158351692 /nfs/dbraw/zinc/35/16/92/158351692.db2.gz LIKRGABTQLBQHH-SECBINFHSA-N 0 0 303.302 0.337 10 0 DCAERN CC(C)(C)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000164680520 158363282 /nfs/dbraw/zinc/36/32/82/158363282.db2.gz GHNXNJMBKLIFMC-UHFFFAOYSA-N 0 0 300.380 0.765 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000166710367 158367467 /nfs/dbraw/zinc/36/74/67/158367467.db2.gz YYALADWYSGLRTD-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN COCCOCC(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000169845268 158373588 /nfs/dbraw/zinc/37/35/88/158373588.db2.gz AFDNQYZKMNPRTB-UHFFFAOYSA-N 0 0 310.350 0.617 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562820 158374507 /nfs/dbraw/zinc/37/45/07/158374507.db2.gz IUSBWHHCFSATND-MNOVXSKESA-N 0 0 320.345 0.655 10 0 DCAERN O=C([C@H]1CN(CCCCO)c2ccccc2O1)N1CCOCC1 ZINC000170870992 158377324 /nfs/dbraw/zinc/37/73/24/158377324.db2.gz GVYPOIAUMWHXIY-MRXNPFEDSA-N 0 0 320.389 0.885 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)no1 ZINC000170884034 158378167 /nfs/dbraw/zinc/37/81/67/158378167.db2.gz HDANMEDKEYLWHK-LLVKDONJSA-N 0 0 309.370 0.430 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)NC ZINC000171489812 158382771 /nfs/dbraw/zinc/38/27/71/158382771.db2.gz WFMSMEMCKCUMCO-NSHDSACASA-N 0 0 304.412 0.328 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000171681962 158385320 /nfs/dbraw/zinc/38/53/20/158385320.db2.gz GYDDMBSMLXJHNK-OLZOCXBDSA-N 0 0 318.439 0.876 10 0 DCAERN CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccnc1 ZINC000172010445 158389583 /nfs/dbraw/zinc/38/95/83/158389583.db2.gz SMHMQDBARWKYKO-UHFFFAOYSA-N 0 0 310.313 0.748 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172008777 158389691 /nfs/dbraw/zinc/38/96/91/158389691.db2.gz BMIQSLAXZKJUOD-QWRGUYRKSA-N 0 0 304.412 0.183 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000172008779 158389720 /nfs/dbraw/zinc/38/97/20/158389720.db2.gz BMIQSLAXZKJUOD-MNOVXSKESA-N 0 0 304.412 0.183 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000172223660 158392379 /nfs/dbraw/zinc/39/23/79/158392379.db2.gz WZWFCUFLEPWRSV-CYBMUJFWSA-N 0 0 301.346 0.577 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@@H](O)CC(C)(C)C)c2=O ZINC000172308179 158393041 /nfs/dbraw/zinc/39/30/41/158393041.db2.gz VLQHRDJGNRYJSX-JTQLQIEISA-N 0 0 321.381 0.043 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172275046 158393344 /nfs/dbraw/zinc/39/33/44/158393344.db2.gz GICPGVAYKFVLNZ-ICCXJUOJSA-N 0 0 312.391 0.377 10 0 DCAERN C[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@H]1C ZINC000172648539 158397398 /nfs/dbraw/zinc/39/73/98/158397398.db2.gz CPLHPQALKXEDEJ-QWRGUYRKSA-N 0 0 303.366 0.777 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(c2ncccc2Cl)CC1 ZINC000172783084 158399604 /nfs/dbraw/zinc/39/96/04/158399604.db2.gz OCOKGLFAFFYINA-UHFFFAOYSA-N 0 0 310.785 0.862 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@H](N4CCOCC4)C3)c2n1 ZINC000172759369 158399947 /nfs/dbraw/zinc/39/99/47/158399947.db2.gz BKIDQGAJCARTGS-ZDUSSCGKSA-N 0 0 315.377 0.584 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCN(C)C2=O)cccc1N1CCNC1=O ZINC000173869741 158410941 /nfs/dbraw/zinc/41/09/41/158410941.db2.gz OWENYRHODSRXJM-LBPRGKRZSA-N 0 0 316.361 0.485 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000175624535 158429583 /nfs/dbraw/zinc/42/95/83/158429583.db2.gz YEIXKLLYUQMRJG-ONGXEEELSA-N 0 0 309.414 0.744 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1 ZINC000176824258 158442109 /nfs/dbraw/zinc/44/21/09/158442109.db2.gz DXEQFXKPWUVVFT-CQSZACIVSA-N 0 0 310.375 0.587 10 0 DCAERN CC[C@@H](C)OCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179025444 158468184 /nfs/dbraw/zinc/46/81/84/158468184.db2.gz XRZYKMPDZIHJQV-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000179558882 158473703 /nfs/dbraw/zinc/47/37/03/158473703.db2.gz WGLKJLAMKDXMRD-ZYHUDNBSSA-N 0 0 312.391 0.607 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000179687917 158475939 /nfs/dbraw/zinc/47/59/39/158475939.db2.gz PUCGPHUXMISNNN-CYBMUJFWSA-N 0 0 320.370 0.715 10 0 DCAERN COCCCOCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000181126239 158482970 /nfs/dbraw/zinc/48/29/70/158482970.db2.gz LPFBNXULGJLKOU-KBPBESRZSA-N 0 0 300.399 0.219 10 0 DCAERN COC(=O)c1ccc(Cl)c(Cn2nc(C(N)=O)ccc2=O)c1 ZINC000182747208 158493812 /nfs/dbraw/zinc/49/38/12/158493812.db2.gz LVXZCRSWDCTMOR-UHFFFAOYSA-N 0 0 321.720 0.831 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)NCC(F)(F)CO ZINC000184273752 158506406 /nfs/dbraw/zinc/50/64/06/158506406.db2.gz JOUMBLZPGZNURT-UHFFFAOYSA-N 0 0 312.280 0.089 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000185082628 158513569 /nfs/dbraw/zinc/51/35/69/158513569.db2.gz WLJIFGSQXRBYIT-CYBMUJFWSA-N 0 0 318.377 0.610 10 0 DCAERN COCCC(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000185044452 158514028 /nfs/dbraw/zinc/51/40/28/158514028.db2.gz HOUDCUPPXGCMMR-TXEJJXNPSA-N 0 0 308.444 0.993 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000185258187 158517448 /nfs/dbraw/zinc/51/74/48/158517448.db2.gz NYTSCFWRVQHHKS-UHFFFAOYSA-N 0 0 316.313 0.380 10 0 DCAERN CNC(=O)CC(=O)NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000186220300 158529014 /nfs/dbraw/zinc/52/90/14/158529014.db2.gz MJINWRWBCBJDCU-UHFFFAOYSA-N 0 0 302.334 0.633 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)n[nH]1 ZINC000187263932 158537417 /nfs/dbraw/zinc/53/74/17/158537417.db2.gz VUYTUOJKHOHCCB-LBPRGKRZSA-N 0 0 315.381 0.657 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000187826661 158540104 /nfs/dbraw/zinc/54/01/04/158540104.db2.gz BJQFXGQHFHCFFQ-JTQLQIEISA-N 0 0 300.403 0.409 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N3CCCNC(=O)[C@@H]3C)nn2)c1 ZINC000188080347 158542572 /nfs/dbraw/zinc/54/25/72/158542572.db2.gz JKRAYLZGKQHWNO-LBPRGKRZSA-N 0 0 313.361 0.926 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NOC[C@@H]3CCOC3)C2)cn1 ZINC000188062854 158542739 /nfs/dbraw/zinc/54/27/39/158542739.db2.gz UQEYVFQEEKBTKZ-CHWSQXEVSA-N 0 0 323.397 0.656 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(C)cc1O[C@H]1CCOC1 ZINC000188083121 158542746 /nfs/dbraw/zinc/54/27/46/158542746.db2.gz JSAMNUGQUGPEQT-ZDUSSCGKSA-N 0 0 306.362 0.915 10 0 DCAERN COCCN1CCCN(C(=O)NCCCn2cccn2)CC1=O ZINC000188578431 158545427 /nfs/dbraw/zinc/54/54/27/158545427.db2.gz AWRNLOQNBUVIMQ-UHFFFAOYSA-N 0 0 323.397 0.164 10 0 DCAERN CCN1CCCN(C(=O)NCc2cccnc2N(C)C)CC1=O ZINC000188615227 158545901 /nfs/dbraw/zinc/54/59/01/158545901.db2.gz KNTNEIRSXKAXMF-UHFFFAOYSA-N 0 0 319.409 0.911 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000188921503 158548447 /nfs/dbraw/zinc/54/84/47/158548447.db2.gz VEQYFJDOMARBBX-GFCCVEGCSA-N 0 0 313.357 0.739 10 0 DCAERN COCCN1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1=O ZINC000189063358 158549482 /nfs/dbraw/zinc/54/94/82/158549482.db2.gz UDJSJFPFERSBLC-UHFFFAOYSA-N 0 0 320.393 0.609 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)n[nH]1 ZINC000189742292 158554789 /nfs/dbraw/zinc/55/47/89/158554789.db2.gz PVHVPCIRYNMKOA-LBPRGKRZSA-N 0 0 305.382 0.235 10 0 DCAERN C[C@H]1CN(C(=O)NCCOCC(F)F)C[C@@H]1N1CCOCC1 ZINC000190298293 158559575 /nfs/dbraw/zinc/55/95/75/158559575.db2.gz KLVLNVDZVMJRMK-RYUDHWBXSA-N 0 0 321.368 0.630 10 0 DCAERN CCN1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1=O ZINC000190491955 158560756 /nfs/dbraw/zinc/56/07/56/158560756.db2.gz HUFPKAUPTNYIBH-LLVKDONJSA-N 0 0 307.350 0.479 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000190520006 158561010 /nfs/dbraw/zinc/56/10/10/158561010.db2.gz XBVIWAIVNKLPFK-YUMQZZPRSA-N 0 0 307.272 0.092 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H](C)C2CCOCC2)CC1=O ZINC000191269104 158567104 /nfs/dbraw/zinc/56/71/04/158567104.db2.gz RQACUPAREOTMCG-ZDUSSCGKSA-N 0 0 312.410 0.756 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191464199 158568203 /nfs/dbraw/zinc/56/82/03/158568203.db2.gz NRFUQJQJYNHWHA-QWRGUYRKSA-N 0 0 320.397 0.595 10 0 DCAERN CCNC(=O)c1ccc(CNC(=O)N2CC(=O)N(CC)C2)cc1 ZINC000191898163 158571772 /nfs/dbraw/zinc/57/17/72/158571772.db2.gz IOXFVVDTVFBIMX-UHFFFAOYSA-N 0 0 318.377 0.768 10 0 DCAERN C[C@@H](c1nnnn1C1CC1)N1CCN(Cc2ccon2)CC1 ZINC000192043315 158573238 /nfs/dbraw/zinc/57/32/38/158573238.db2.gz PGBRSOPCTUSENZ-NSHDSACASA-N 0 0 303.370 0.875 10 0 DCAERN COC(=O)CN1CCN(C(=O)CCc2ccccc2N)CC1 ZINC000262405748 158810728 /nfs/dbraw/zinc/81/07/28/158810728.db2.gz CSJDPNKOMAMVJA-UHFFFAOYSA-N 0 0 305.378 0.519 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)cc3n[nH]nc32)CCN1CCO ZINC000328641077 159016865 /nfs/dbraw/zinc/01/68/65/159016865.db2.gz CZVJSKJOVHPNRQ-SECBINFHSA-N 0 0 307.329 0.236 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 ZINC000328659135 159017396 /nfs/dbraw/zinc/01/73/96/159017396.db2.gz SEJCNHJDBNWOCO-JKSUJKDBSA-N 0 0 316.405 0.813 10 0 DCAERN COc1ccc2c(c1)OCCN(C(=O)CN1CN=NC1=O)C2 ZINC000328721361 159023936 /nfs/dbraw/zinc/02/39/36/159023936.db2.gz WUDRQQHPFLPAHD-UHFFFAOYSA-N 0 0 304.306 0.414 10 0 DCAERN Cc1cc(COCC(=O)N2CCS(=O)(=O)[C@H](C)C2)on1 ZINC000328731415 159024776 /nfs/dbraw/zinc/02/47/76/159024776.db2.gz INKLRWVEFCFARX-SNVBAGLBSA-N 0 0 302.352 0.145 10 0 DCAERN CN(C(=O)C[C@H]1CCCCNC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000328745717 159025362 /nfs/dbraw/zinc/02/53/62/159025362.db2.gz AGUANYAKWIBQMH-GHMZBOCLSA-N 0 0 302.396 0.779 10 0 DCAERN COCCN1CN(C(=O)c2snnc2C(C)(C)C)CC1=O ZINC000328740569 159025444 /nfs/dbraw/zinc/02/54/44/159025444.db2.gz LXSQHECCSFJZHT-UHFFFAOYSA-N 0 0 312.395 0.724 10 0 DCAERN C[C@H](CC(=O)N1CCN2C(=O)NC[C@H]2C1)N1CCCCC1=O ZINC000328752992 159026241 /nfs/dbraw/zinc/02/62/41/159026241.db2.gz NNQCTTXJEUOXMA-NEPJUHHUSA-N 0 0 308.382 0.218 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)C[C@H](C)N1CCCCC1=O)C2 ZINC000328787467 159029708 /nfs/dbraw/zinc/02/97/08/159029708.db2.gz XCBXQEQWOFIKAV-NSHDSACASA-N 0 0 305.382 0.720 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)COC3CCOCC3)[C@@H]2C1 ZINC000328818853 159032430 /nfs/dbraw/zinc/03/24/30/159032430.db2.gz HFDXHZQPVVIREK-RBSFLKMASA-N 0 0 313.394 0.977 10 0 DCAERN O=S(=O)(CC1CC1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000328835579 159033570 /nfs/dbraw/zinc/03/35/70/159033570.db2.gz MJHZCSXXOJGAAG-LBPRGKRZSA-N 0 0 300.384 0.147 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867530 159036356 /nfs/dbraw/zinc/03/63/56/159036356.db2.gz GZTKFQUBCQOUNA-NXEZZACHSA-N 0 0 309.391 0.392 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@H]21 ZINC000328872303 159036363 /nfs/dbraw/zinc/03/63/63/159036363.db2.gz DVFXKUAOIOCZRV-CABCVRRESA-N 0 0 323.437 0.711 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3csc4cncn43)C[C@H]21 ZINC000328884749 159038217 /nfs/dbraw/zinc/03/82/17/159038217.db2.gz OAQOJQMIJBGAAW-ZYHUDNBSSA-N 0 0 306.391 0.941 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)[C@H]3CCCCN3C2=O)C1 ZINC000328886604 159038252 /nfs/dbraw/zinc/03/82/52/159038252.db2.gz OBBBQYZCTHGOMG-GHMZBOCLSA-N 0 0 322.365 0.577 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 ZINC000328932290 159042984 /nfs/dbraw/zinc/04/29/84/159042984.db2.gz DHXKFUZBFZUAFT-GJZGRUSLSA-N 0 0 306.362 0.703 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(O)CC2)CC(=O)N1C ZINC000328947061 159044664 /nfs/dbraw/zinc/04/46/64/159044664.db2.gz VSDRRWMIMAQQQJ-FZMZJTMJSA-N 0 0 320.393 0.313 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000329011234 159051807 /nfs/dbraw/zinc/05/18/07/159051807.db2.gz IFFKYLKMRVHVSK-BXKDBHETSA-N 0 0 319.390 0.966 10 0 DCAERN CC(C)(C)N1C[C@@H](C(=O)N2CCC[C@H]2Cn2ccnn2)CC1=O ZINC000329027266 159053684 /nfs/dbraw/zinc/05/36/84/159053684.db2.gz OMGWECSPDDDZHM-STQMWFEESA-N 0 0 319.409 0.916 10 0 DCAERN COCCN1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1=O ZINC000329039463 159055037 /nfs/dbraw/zinc/05/50/37/159055037.db2.gz ZVYVJJOTAGKTEI-UHFFFAOYSA-N 0 0 317.389 0.891 10 0 DCAERN C[C@H](C(=O)N1CC(=O)N(Cc2ccccc2)C1)N1CCOCC1 ZINC000329055768 159057408 /nfs/dbraw/zinc/05/74/08/159057408.db2.gz XSKODEHORVJVTO-CQSZACIVSA-N 0 0 317.389 0.536 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](n3cccn3)C2)C1 ZINC000329146905 159067973 /nfs/dbraw/zinc/06/79/73/159067973.db2.gz XKHFGGYQZHFXSB-HOCLYGCPSA-N 0 0 320.393 0.420 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)nc1 ZINC000329169928 159069491 /nfs/dbraw/zinc/06/94/91/159069491.db2.gz JKTMOFGJTUKRNG-CABCVRRESA-N 0 0 305.378 0.564 10 0 DCAERN C[C@H]1CCN(C(=O)c2cncc(N3CCOCC3)c2)C[C@H]1O ZINC000329168300 159069514 /nfs/dbraw/zinc/06/95/14/159069514.db2.gz IYRXHVNTNWOMLM-SWLSCSKDSA-N 0 0 305.378 0.761 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329192285 159071343 /nfs/dbraw/zinc/07/13/43/159071343.db2.gz QSXAMPYANIGIEB-QWRGUYRKSA-N 0 0 304.350 0.884 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 ZINC000329229188 159074699 /nfs/dbraw/zinc/07/46/99/159074699.db2.gz CKBVBSVEMRFHRO-NWDGAFQWSA-N 0 0 300.384 0.281 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2ccnc3ccnn32)C1 ZINC000329248785 159076864 /nfs/dbraw/zinc/07/68/64/159076864.db2.gz SRAKQPGHXXXZJT-NSHDSACASA-N 0 0 309.395 0.796 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329262088 159077410 /nfs/dbraw/zinc/07/74/10/159077410.db2.gz FYQJWCBOEXUAFN-NSHDSACASA-N 0 0 310.383 0.173 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329298712 159080255 /nfs/dbraw/zinc/08/02/55/159080255.db2.gz USPABSYCIDBEPA-QWRGUYRKSA-N 0 0 317.411 0.413 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)nn1 ZINC000329328355 159082962 /nfs/dbraw/zinc/08/29/62/159082962.db2.gz KLURABDWDSPFGG-CYZMBNFOSA-N 0 0 324.381 0.504 10 0 DCAERN O=C(CN1CCn2ccnc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329350874 159084273 /nfs/dbraw/zinc/08/42/73/159084273.db2.gz TXXFBBVHXSROIK-ZIAGYGMSSA-N 0 0 304.394 0.869 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000329391004 159087924 /nfs/dbraw/zinc/08/79/24/159087924.db2.gz VEBVIHNYJMWMMM-LBPRGKRZSA-N 0 0 314.411 0.379 10 0 DCAERN FC(F)(F)c1nnc2ccc(N3CC(n4ccnn4)C3)nn21 ZINC000329393120 159088796 /nfs/dbraw/zinc/08/87/96/159088796.db2.gz UMKZKSVULQVMDM-UHFFFAOYSA-N 0 0 310.243 0.796 10 0 DCAERN Cc1cnn(CCN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 ZINC000329440340 159092983 /nfs/dbraw/zinc/09/29/83/159092983.db2.gz KAQAGWZQNDXMET-LHSJRXKWSA-N 0 0 307.423 0.731 10 0 DCAERN Cc1cc(C)n(Cc2nnc(N3CCNC(=O)[C@H]3C)n2C)n1 ZINC000329460854 159094318 /nfs/dbraw/zinc/09/43/18/159094318.db2.gz SCUQVBCVMBVBDV-LLVKDONJSA-N 0 0 303.370 0.842 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCc2cncnc2C1 ZINC000329471984 159095363 /nfs/dbraw/zinc/09/53/63/159095363.db2.gz ZZCXEOLSRBSFEK-GFCCVEGCSA-N 0 0 306.391 0.673 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000329502668 159098351 /nfs/dbraw/zinc/09/83/51/159098351.db2.gz KTGFDWASVCHAEK-RBSFLKMASA-N 0 0 322.409 0.995 10 0 DCAERN C[C@@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000329531295 159099918 /nfs/dbraw/zinc/09/99/18/159099918.db2.gz JHLYBOJRAROIQD-GFCCVEGCSA-N 0 0 324.402 0.562 10 0 DCAERN O=C([C@H]1CSCN1S(=O)(=O)CC1CC1)N1CCCC1 ZINC000329532034 159100217 /nfs/dbraw/zinc/10/02/17/159100217.db2.gz WXLHGCBAWQPRTG-LLVKDONJSA-N 0 0 304.437 0.724 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C[C@@H](C)O1 ZINC000329549971 159102129 /nfs/dbraw/zinc/10/21/29/159102129.db2.gz JCFUKXOFBASSTC-ZMJPVWNMSA-N 0 0 324.381 0.504 10 0 DCAERN C[C@H](CNS(=O)(=O)[C@H]1CCO[C@H](C)C1)N1CCOCC1 ZINC000329596739 159105832 /nfs/dbraw/zinc/10/58/32/159105832.db2.gz PGDHWKBKVBSJQT-UPJWGTAASA-N 0 0 306.428 0.194 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H](C)[C@H]2C)nn1 ZINC000329663007 159110089 /nfs/dbraw/zinc/11/00/89/159110089.db2.gz PRJHFOYJNFXUSI-FPQZTECRSA-N 0 0 310.354 0.114 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329753419 159117327 /nfs/dbraw/zinc/11/73/27/159117327.db2.gz WUJIDKYQHSBDEP-LSDHHAIUSA-N 0 0 323.437 0.711 10 0 DCAERN CN1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1=O ZINC000329801198 159120277 /nfs/dbraw/zinc/12/02/77/159120277.db2.gz YRGSDVPFEIRAOF-LBPRGKRZSA-N 0 0 321.402 0.540 10 0 DCAERN CN(Cc1cnnn1C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000329831379 159123102 /nfs/dbraw/zinc/12/31/02/159123102.db2.gz KCFCBYBHVOMIKV-STQMWFEESA-N 0 0 319.388 0.650 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCCc3n[nH]cc32)CCO1 ZINC000329849092 159123874 /nfs/dbraw/zinc/12/38/74/159123874.db2.gz PVZXEFKEWCQENG-UHFFFAOYSA-N 0 0 300.384 0.518 10 0 DCAERN CC(=O)N1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000329969297 159132811 /nfs/dbraw/zinc/13/28/11/159132811.db2.gz UKBHAHJCQWIISJ-CYBMUJFWSA-N 0 0 309.410 0.858 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2c[nH]nc2C1)c1cnc2n1CCC2 ZINC000330011785 159135506 /nfs/dbraw/zinc/13/55/06/159135506.db2.gz JMONMNYLWLOQSE-SNVBAGLBSA-N 0 0 307.379 0.388 10 0 DCAERN O=C1N=NC2CN(CCc3ccc4c(c3)OCCO4)CCN12 ZINC000330029649 159136871 /nfs/dbraw/zinc/13/68/71/159136871.db2.gz QJUQLVHLEXMDQD-UHFFFAOYSA-N 0 0 302.334 0.813 10 0 DCAERN Cc1nn2c(CN3CCN4C(=O)N=NC4C3)c(C)nc2s1 ZINC000330147856 159145971 /nfs/dbraw/zinc/14/59/71/159145971.db2.gz JAIGUALLTAIWMK-UHFFFAOYSA-N 0 0 305.367 0.721 10 0 DCAERN CCc1nc(CN2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000330214221 159150563 /nfs/dbraw/zinc/15/05/63/159150563.db2.gz GATTWYJSEAYBON-CYBMUJFWSA-N 0 0 319.409 0.513 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000330232198 159152435 /nfs/dbraw/zinc/15/24/35/159152435.db2.gz XHWJWJKYZDYKRX-QVHKTLOISA-N 0 0 323.393 0.760 10 0 DCAERN O=C(N1CCN(c2cc(C3CC3)[nH]n2)CC1)C1(O)CCOCC1 ZINC000330306352 159158480 /nfs/dbraw/zinc/15/84/80/159158480.db2.gz LGXWULAHJKTOSB-UHFFFAOYSA-N 0 0 320.393 0.477 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000330441168 159173416 /nfs/dbraw/zinc/17/34/16/159173416.db2.gz UULVMZDPHPACQF-SCZZXKLOSA-N 0 0 301.412 0.327 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000332962454 159218115 /nfs/dbraw/zinc/21/81/15/159218115.db2.gz CBPJPHMVWWKNCA-RVMXOQNASA-N 0 0 308.357 0.935 10 0 DCAERN COCCN1CC(=O)N([C@@H]2CCCN(c3cnn(C)c3)C2)C1=O ZINC000348888716 159241560 /nfs/dbraw/zinc/24/15/60/159241560.db2.gz HOJVZHLWLRECHO-GFCCVEGCSA-N 0 0 321.381 0.300 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@@H](C)OC[C@@H]2C)n1 ZINC000359253393 159256977 /nfs/dbraw/zinc/25/69/77/159256977.db2.gz YPCYJLVDSDYLME-NWDGAFQWSA-N 0 0 321.377 0.385 10 0 DCAERN CC1(C)CN(C(=O)NOC[C@@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000366820762 159290863 /nfs/dbraw/zinc/29/08/63/159290863.db2.gz CPNQCKJSQQPTJC-DOMZBBRYSA-N 0 0 314.382 0.934 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(CCN2CCO[C@@H](C)C2)C1 ZINC000367042276 159308115 /nfs/dbraw/zinc/30/81/15/159308115.db2.gz FYAFVOSYDSLXOC-KBPBESRZSA-N 0 0 319.471 0.109 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000367259008 159325486 /nfs/dbraw/zinc/32/54/86/159325486.db2.gz GDDYGKBWHNRVAY-UMSGYPCISA-N 0 0 320.393 0.668 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000367681632 159350138 /nfs/dbraw/zinc/35/01/38/159350138.db2.gz FXVCSBQSRIIZRF-QWRGUYRKSA-N 0 0 307.437 0.544 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CNC(=O)COc1ccccc1 ZINC000367741283 159353246 /nfs/dbraw/zinc/35/32/46/159353246.db2.gz QDTJGFCMROFUJQ-CYBMUJFWSA-N 0 0 306.362 0.819 10 0 DCAERN C[C@@H](c1nncn1C)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000367875222 159362342 /nfs/dbraw/zinc/36/23/42/159362342.db2.gz SMFQXAMLLXICPA-JTQLQIEISA-N 0 0 313.427 0.422 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368201695 159381142 /nfs/dbraw/zinc/38/11/42/159381142.db2.gz MSPIHWYHAVWYIF-YRGRVCCFSA-N 0 0 318.439 0.899 10 0 DCAERN COc1cc(CNC(=O)N2CCN3CCOC[C@H]3C2)ccn1 ZINC000368307156 159386560 /nfs/dbraw/zinc/38/65/60/159386560.db2.gz YQSHAKRLFGOAKJ-CYBMUJFWSA-N 0 0 306.366 0.316 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(c2ncncc2Br)C1 ZINC000370654008 159533601 /nfs/dbraw/zinc/53/36/01/159533601.db2.gz PEPBFLQHLAAVSH-SSDOTTSWSA-N 0 0 321.200 0.496 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCCC[C@@H](CO)C1 ZINC000373735888 159695858 /nfs/dbraw/zinc/69/58/58/159695858.db2.gz KETACDNNUQWQRW-SECBINFHSA-N 0 0 307.803 0.857 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)CC1=O ZINC000374576153 159741375 /nfs/dbraw/zinc/74/13/75/159741375.db2.gz OTXXNINLFCYECE-KSTCHIGDSA-N 0 0 309.410 0.846 10 0 DCAERN C[C@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000376428895 159857592 /nfs/dbraw/zinc/85/75/92/159857592.db2.gz QKZJJTRMNGQFTH-YVECIDJPSA-N 0 0 307.394 0.370 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1=O ZINC000407962654 159998017 /nfs/dbraw/zinc/99/80/17/159998017.db2.gz NNPQRQGAGLRIOS-RBSFLKMASA-N 0 0 323.437 0.303 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CCO2)n1 ZINC000407968873 159999414 /nfs/dbraw/zinc/99/94/14/159999414.db2.gz VCLLFSNSTUCZIE-IDTSFGKNSA-N 0 0 322.409 0.936 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CC(=O)N1C ZINC000407971969 160000013 /nfs/dbraw/zinc/00/00/13/160000013.db2.gz RNBUZEIJZXXBOQ-GFCCVEGCSA-N 0 0 318.377 0.221 10 0 DCAERN CO[C@@H](C)c1nsc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000407975323 160000429 /nfs/dbraw/zinc/00/04/29/160000429.db2.gz IHQFTOVZLYUVEI-IUCAKERBSA-N 0 0 320.440 0.716 10 0 DCAERN Cn1c(-c2ccoc2)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000407976021 160000723 /nfs/dbraw/zinc/00/07/23/160000723.db2.gz RXZGMNFBVMEFMS-ZDUSSCGKSA-N 0 0 303.366 0.986 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCSCC1 ZINC000407975522 160000808 /nfs/dbraw/zinc/00/08/08/160000808.db2.gz WYBBIKVKPAJXQQ-NSHDSACASA-N 0 0 322.452 0.698 10 0 DCAERN Cn1ncc2c1ncnc2N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000407977102 160000995 /nfs/dbraw/zinc/00/09/95/160000995.db2.gz QXVHLEADIQGWCN-QWRGUYRKSA-N 0 0 324.410 0.636 10 0 DCAERN O=C(NC1CCN(CC(F)(F)F)CC1)N[C@@H]1CCCNC1=O ZINC000407983767 160002794 /nfs/dbraw/zinc/00/27/94/160002794.db2.gz FLAATYRORZUQIU-SNVBAGLBSA-N 0 0 322.331 0.591 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCOC(C)(C)C2)CCO1 ZINC000407989928 160004336 /nfs/dbraw/zinc/00/43/36/160004336.db2.gz JARPYYLEZAHQLH-WDEREUQCSA-N 0 0 300.355 0.527 10 0 DCAERN COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000407996474 160005988 /nfs/dbraw/zinc/00/59/88/160005988.db2.gz MLLOXHPZTCQSAY-MGPQQGTHSA-N 0 0 310.394 0.651 10 0 DCAERN O=C(C1CCN(CC(F)(F)F)CC1)N1CCO[C@H](CO)C1 ZINC000407999180 160006713 /nfs/dbraw/zinc/00/67/13/160006713.db2.gz UZFJUIVBTBAXGB-NSHDSACASA-N 0 0 310.316 0.480 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](S(N)(=O)=O)C1)C1CCOCC1 ZINC000407997456 160006925 /nfs/dbraw/zinc/00/69/25/160006925.db2.gz OYAICNRUBUOEKY-JQWIXIFHSA-N 0 0 304.412 0.329 10 0 DCAERN COCc1ncsc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408006206 160008803 /nfs/dbraw/zinc/00/88/03/160008803.db2.gz WQXVGSIEUQRADU-UHFFFAOYSA-N 0 0 318.420 0.939 10 0 DCAERN C[C@H](C(=O)N1CC[C@H](CCO)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408011544 160010415 /nfs/dbraw/zinc/01/04/15/160010415.db2.gz SLJHRWVBJIJVEB-VXGBXAGGSA-N 0 0 323.393 0.470 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nnc2n1CCCCC2 ZINC000408013965 160011446 /nfs/dbraw/zinc/01/14/46/160011446.db2.gz HVZOWMIFIUIVBH-SNVBAGLBSA-N 0 0 324.410 0.778 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000408015884 160011716 /nfs/dbraw/zinc/01/17/16/160011716.db2.gz GJGCZLGSQKIGLA-IJLUTSLNSA-N 0 0 308.444 0.321 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015860 160012087 /nfs/dbraw/zinc/01/20/87/160012087.db2.gz FVIDIMFNTIMEGM-ZIAGYGMSSA-N 0 0 324.425 0.113 10 0 DCAERN Cc1cc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)n(C)n1 ZINC000408019735 160012748 /nfs/dbraw/zinc/01/27/48/160012748.db2.gz AMXORSDCDACZFT-SNVBAGLBSA-N 0 0 300.384 0.057 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 ZINC000408017986 160012861 /nfs/dbraw/zinc/01/28/61/160012861.db2.gz WXUDACPXDVLGCP-OCCSQVGLSA-N 0 0 308.403 0.996 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408027167 160014593 /nfs/dbraw/zinc/01/45/93/160014593.db2.gz LXBFXDGPGSLBIF-FVCCEPFGSA-N 0 0 322.427 0.076 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000408031452 160017165 /nfs/dbraw/zinc/01/71/65/160017165.db2.gz UKXAHEJWLLYYIL-BDAKNGLRSA-N 0 0 304.347 0.050 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408038649 160019431 /nfs/dbraw/zinc/01/94/31/160019431.db2.gz OJCMQBHBLCGELR-NTZNESFSSA-N 0 0 309.410 0.651 10 0 DCAERN CCS(=O)(=O)NCCN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046540 160021271 /nfs/dbraw/zinc/02/12/71/160021271.db2.gz XDXPLBZHKGEIGT-MJBXVCDLSA-N 0 0 320.455 0.178 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H]1C(N)=O ZINC000408048054 160022974 /nfs/dbraw/zinc/02/29/74/160022974.db2.gz UXWPXCWJQMDVRJ-CTASWTNQSA-N 0 0 323.437 0.742 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)O1 ZINC000408052032 160023404 /nfs/dbraw/zinc/02/34/04/160023404.db2.gz KJEYORBKADFGPR-FVCCEPFGSA-N 0 0 314.357 0.352 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000408051089 160023585 /nfs/dbraw/zinc/02/35/85/160023585.db2.gz NILHEZSPHUGTIC-INIZCTEOSA-N 0 0 320.393 0.489 10 0 DCAERN Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1O ZINC000408050103 160023621 /nfs/dbraw/zinc/02/36/21/160023621.db2.gz HPBNYWKSFWWYIE-OLZOCXBDSA-N 0 0 303.362 0.868 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCC2CCSCC2)C1 ZINC000408053576 160024224 /nfs/dbraw/zinc/02/42/24/160024224.db2.gz YUGOWZIXBDPZGV-AWEZNQCLSA-N 0 0 300.424 0.619 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@@](C)(O)C2)c2ccccc2c1=O ZINC000408052778 160024309 /nfs/dbraw/zinc/02/43/09/160024309.db2.gz DDJSHVDUCVKOHP-QGZVFWFLSA-N 0 0 315.373 0.849 10 0 DCAERN CN1CCc2ccc(C(=O)N3CCC[C@](O)(C(N)=O)C3)cc21 ZINC000408057310 160025046 /nfs/dbraw/zinc/02/50/46/160025046.db2.gz SHUMNALXVSTARJ-MRXNPFEDSA-N 0 0 303.362 0.131 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408065144 160026272 /nfs/dbraw/zinc/02/62/72/160026272.db2.gz ZIMWGVHGISHCJM-NWDGAFQWSA-N 0 0 310.394 0.903 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1=O ZINC000408067164 160027590 /nfs/dbraw/zinc/02/75/90/160027590.db2.gz JCRJKNNWUUPXCY-SECBINFHSA-N 0 0 304.306 0.494 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000408066753 160027623 /nfs/dbraw/zinc/02/76/23/160027623.db2.gz BZGDMCVWHKRACP-NSHDSACASA-N 0 0 314.411 0.408 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000408079709 160030658 /nfs/dbraw/zinc/03/06/58/160030658.db2.gz NUAKBIBLOKBVHA-RNJOBUHISA-N 0 0 318.439 0.730 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CO)nc1C ZINC000408091198 160033448 /nfs/dbraw/zinc/03/34/48/160033448.db2.gz UCPSZWPIFSUKQP-ZYHUDNBSSA-N 0 0 301.412 0.993 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN3CCC[C@H]3C2)CCCC1 ZINC000408092515 160034100 /nfs/dbraw/zinc/03/41/00/160034100.db2.gz SHBWFGAAVGWOHS-LBPRGKRZSA-N 0 0 300.424 0.650 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408095521 160035039 /nfs/dbraw/zinc/03/50/39/160035039.db2.gz OAIIOEHZGADFPN-GHMZBOCLSA-N 0 0 311.382 0.637 10 0 DCAERN C[C@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1O ZINC000408096123 160035049 /nfs/dbraw/zinc/03/50/49/160035049.db2.gz VWRPQHOPEWURQR-RYUDHWBXSA-N 0 0 323.393 0.470 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(c3nccn3C)CC2)o1 ZINC000408098372 160035606 /nfs/dbraw/zinc/03/56/06/160035606.db2.gz QKARRWVJNGAINQ-UHFFFAOYSA-N 0 0 310.379 0.832 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N(C)[C@H]2CCOC2)CC1 ZINC000408100127 160035768 /nfs/dbraw/zinc/03/57/68/160035768.db2.gz SZTGNUOWJWRKAZ-LBPRGKRZSA-N 0 0 320.411 0.227 10 0 DCAERN Cc1cnc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)s1 ZINC000408102496 160035863 /nfs/dbraw/zinc/03/58/63/160035863.db2.gz BCORXVBLNGFFSZ-MRVPVSSYSA-N 0 0 304.397 0.736 10 0 DCAERN C[C@H]1CN(C2CCN(C(=O)C(=O)c3cnn(C)c3)CC2)CCO1 ZINC000408103867 160036283 /nfs/dbraw/zinc/03/62/83/160036283.db2.gz CGGABFKSTPIQID-LBPRGKRZSA-N 0 0 320.393 0.315 10 0 DCAERN CCn1nccc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408111663 160037837 /nfs/dbraw/zinc/03/78/37/160037837.db2.gz GJJXEPOOOROVHB-VIFPVBQESA-N 0 0 301.372 0.058 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(C)C[C@@H]1C)C2=O ZINC000408112414 160038597 /nfs/dbraw/zinc/03/85/97/160038597.db2.gz KTAWJMPQKNZSOE-LBPRGKRZSA-N 0 0 315.373 0.754 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)no1 ZINC000408112879 160038730 /nfs/dbraw/zinc/03/87/30/160038730.db2.gz QPYCTTRFGBKWHF-MWLCHTKSSA-N 0 0 312.347 0.808 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@](F)(CO)C2)c(=O)c2ccccc21 ZINC000408119547 160040166 /nfs/dbraw/zinc/04/01/66/160040166.db2.gz KTGHFHIAUGRHML-MRXNPFEDSA-N 0 0 319.336 0.870 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2scc(C)n2c1=O ZINC000408119059 160040246 /nfs/dbraw/zinc/04/02/46/160040246.db2.gz ZTSBHOQXBPIIDO-JTQLQIEISA-N 0 0 320.374 0.415 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)CCO1 ZINC000408121182 160040981 /nfs/dbraw/zinc/04/09/81/160040981.db2.gz BZCRJNMVLZLEHU-VXGBXAGGSA-N 0 0 306.428 0.483 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000408120465 160041207 /nfs/dbraw/zinc/04/12/07/160041207.db2.gz GVKLPWWFBDJDNL-LBPRGKRZSA-N 0 0 304.412 0.153 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O ZINC000408133892 160044474 /nfs/dbraw/zinc/04/44/74/160044474.db2.gz QDZKLKVFKVCRBV-NEPJUHHUSA-N 0 0 310.394 0.781 10 0 DCAERN CC(C)(C)[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1O ZINC000408134886 160044834 /nfs/dbraw/zinc/04/48/34/160044834.db2.gz VHHKGOIRXMBZAJ-NEPJUHHUSA-N 0 0 306.428 0.292 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408136099 160045142 /nfs/dbraw/zinc/04/51/42/160045142.db2.gz BDKIEGHAZFKCII-CYBMUJFWSA-N 0 0 324.425 0.509 10 0 DCAERN CN1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000408139958 160046057 /nfs/dbraw/zinc/04/60/57/160046057.db2.gz PVQQFGIYVFRJEW-LLVKDONJSA-N 0 0 305.334 0.532 10 0 DCAERN O=S(=O)(N1CCCCC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408151785 160048613 /nfs/dbraw/zinc/04/86/13/160048613.db2.gz SOJPTQRELWXWME-UHFFFAOYSA-N 0 0 313.427 0.258 10 0 DCAERN C[C@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CCC1=O ZINC000408161101 160050253 /nfs/dbraw/zinc/05/02/53/160050253.db2.gz XUZCINKSGBPUES-LBPRGKRZSA-N 0 0 303.362 0.969 10 0 DCAERN CCCN(C(=O)[C@@H]1CC(=O)N[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408164181 160050515 /nfs/dbraw/zinc/05/05/15/160050515.db2.gz HCGCYEMARBHQJB-SRVKXCTJSA-N 0 0 316.423 0.327 10 0 DCAERN CSC1(CNC(=O)[C@H]2CC(=O)N[C@H](C)C2)CCOCC1 ZINC000408166021 160051049 /nfs/dbraw/zinc/05/10/49/160051049.db2.gz OZEHREXSEDWRGV-GHMZBOCLSA-N 0 0 300.424 0.930 10 0 DCAERN CCNC(=O)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408168014 160051898 /nfs/dbraw/zinc/05/18/98/160051898.db2.gz ZQNQEQAEJHRFOE-DGCLKSJQSA-N 0 0 307.394 0.515 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@@H](O)CC1 ZINC000408176801 160053606 /nfs/dbraw/zinc/05/36/06/160053606.db2.gz GROSEWCHZGROGJ-LLVKDONJSA-N 0 0 317.345 0.476 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@H](O)CC2)c2ccccc2c1=O ZINC000408178875 160053655 /nfs/dbraw/zinc/05/36/55/160053655.db2.gz UTULSMLIRGWVCA-LBPRGKRZSA-N 0 0 315.373 0.849 10 0 DCAERN C[C@H]1CN(Cc2ccnc(N(C)C)n2)CCN1S(C)(=O)=O ZINC000408179352 160053742 /nfs/dbraw/zinc/05/37/42/160053742.db2.gz YIBBHWBDKOOEHP-NSHDSACASA-N 0 0 313.427 0.008 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3nc(C)ccc3c2O)CC1 ZINC000408180754 160054626 /nfs/dbraw/zinc/05/46/26/160054626.db2.gz VRGJGLSRXHPBQO-UHFFFAOYSA-N 0 0 314.345 0.948 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC([C@H](C)O)CC1 ZINC000408187963 160056209 /nfs/dbraw/zinc/05/62/09/160056209.db2.gz BMVSURLJXICKIS-JQWIXIFHSA-N 0 0 300.424 0.917 10 0 DCAERN CN1CN(C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1=O ZINC000408205932 160059898 /nfs/dbraw/zinc/05/98/98/160059898.db2.gz RZVPSKZJTVBZOQ-UHFFFAOYSA-N 0 0 306.347 0.994 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000408212925 160061500 /nfs/dbraw/zinc/06/15/00/160061500.db2.gz ARAMDKZIKZYGEI-KPZWWZAWSA-N 0 0 310.485 0.358 10 0 DCAERN Cc1cnc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000408229411 160064495 /nfs/dbraw/zinc/06/44/95/160064495.db2.gz RJDURBFZZSLCLN-UHFFFAOYSA-N 0 0 313.379 0.203 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000408240140 160067081 /nfs/dbraw/zinc/06/70/81/160067081.db2.gz JJOOUWSVQOAEAW-NSHDSACASA-N 0 0 314.411 0.345 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CC1(O)CCCC1 ZINC000408240937 160067096 /nfs/dbraw/zinc/06/70/96/160067096.db2.gz GQBAIUMCQJOQMY-NEPJUHHUSA-N 0 0 318.439 0.658 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245178 160068234 /nfs/dbraw/zinc/06/82/34/160068234.db2.gz FTDVSAQVCWODGY-MRXNPFEDSA-N 0 0 318.377 0.348 10 0 DCAERN COC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@@H]1CCCO1 ZINC000408246052 160068505 /nfs/dbraw/zinc/06/85/05/160068505.db2.gz YMNXEQUAGGEPLD-WOPDTQHZSA-N 0 0 320.411 0.009 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3COCC[C@H]32)o1 ZINC000408249482 160068938 /nfs/dbraw/zinc/06/89/38/160068938.db2.gz XEGJIZIZBNGWAZ-VHSXEESVSA-N 0 0 314.363 0.568 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000408247957 160069511 /nfs/dbraw/zinc/06/95/11/160069511.db2.gz QUTKZBFJXXPVTN-AAVRWANBSA-N 0 0 321.421 0.759 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CCO1 ZINC000408258042 160070482 /nfs/dbraw/zinc/07/04/82/160070482.db2.gz XIQAISICYOUTMF-RWSFTLGLSA-N 0 0 314.382 0.773 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000408270517 160072784 /nfs/dbraw/zinc/07/27/84/160072784.db2.gz QZBYZIZDZBWFJI-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1noc(CN2CCN(C(=O)CC3(O)CCCC3)CC2)n1 ZINC000408269723 160072967 /nfs/dbraw/zinc/07/29/67/160072967.db2.gz SMHRKZGIRZZWLN-UHFFFAOYSA-N 0 0 308.382 0.717 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1C ZINC000408272532 160073238 /nfs/dbraw/zinc/07/32/38/160073238.db2.gz FKYFZHJHPFTWPC-NWDGAFQWSA-N 0 0 308.382 0.193 10 0 DCAERN O=C(C1=CCOCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408280362 160075304 /nfs/dbraw/zinc/07/53/04/160075304.db2.gz HJBIANRLEWKHTG-CQSZACIVSA-N 0 0 308.378 0.431 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000408286745 160076498 /nfs/dbraw/zinc/07/64/98/160076498.db2.gz NZNGNYNPNOHNQH-WZRBSPASSA-N 0 0 303.428 0.420 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000408286686 160076619 /nfs/dbraw/zinc/07/66/19/160076619.db2.gz MZIBBCAECXMGKF-VXGBXAGGSA-N 0 0 320.411 0.273 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C)C1 ZINC000408293065 160077562 /nfs/dbraw/zinc/07/75/62/160077562.db2.gz WMBTVZNCCQVHEG-CHWSQXEVSA-N 0 0 317.455 0.952 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000408296068 160079422 /nfs/dbraw/zinc/07/94/22/160079422.db2.gz AGVIWDIYPKBTOB-VXGBXAGGSA-N 0 0 311.382 0.449 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCCO1 ZINC000408303534 160080487 /nfs/dbraw/zinc/08/04/87/160080487.db2.gz QKQGRJAWZRJFCX-VIFPVBQESA-N 0 0 316.354 0.724 10 0 DCAERN C[C@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1O ZINC000408304230 160080942 /nfs/dbraw/zinc/08/09/42/160080942.db2.gz ADNYRXYKDYGJOB-QWRGUYRKSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)O1 ZINC000408317763 160084203 /nfs/dbraw/zinc/08/42/03/160084203.db2.gz ATOHARAUIYJIPD-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)o1 ZINC000408334697 160086838 /nfs/dbraw/zinc/08/68/38/160086838.db2.gz BXIBCTGHTORXES-NXEZZACHSA-N 0 0 303.384 0.681 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000408337481 160087272 /nfs/dbraw/zinc/08/72/72/160087272.db2.gz GNFZMLDPTWYNFK-MEBBXXQBSA-N 0 0 311.382 0.374 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H]1C(C)(C)O ZINC000408337750 160087610 /nfs/dbraw/zinc/08/76/10/160087610.db2.gz WMXJNJXGVKCZNA-WOPDTQHZSA-N 0 0 319.423 0.893 10 0 DCAERN C[C@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000408346345 160088983 /nfs/dbraw/zinc/08/89/83/160088983.db2.gz KGLBVLSOBLLRNH-LBPRGKRZSA-N 0 0 302.327 0.070 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C[C@@H]1O ZINC000408348148 160089357 /nfs/dbraw/zinc/08/93/57/160089357.db2.gz FADIMUCRUCDXJV-BQBZGAKWSA-N 0 0 307.276 0.736 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@](C)(O)C1 ZINC000408348221 160089764 /nfs/dbraw/zinc/08/97/64/160089764.db2.gz ZUEVRLZAOSPWEN-NSHDSACASA-N 0 0 304.393 0.301 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408357346 160091525 /nfs/dbraw/zinc/09/15/25/160091525.db2.gz AJNIRKPBUUKPSL-JQWIXIFHSA-N 0 0 308.300 0.771 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000408374729 160094357 /nfs/dbraw/zinc/09/43/57/160094357.db2.gz ITYOFIKJUUMPBC-OAHLLOKOSA-N 0 0 311.382 0.328 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](O)[C@H](C)C3)cnc12 ZINC000408373419 160094651 /nfs/dbraw/zinc/09/46/51/160094651.db2.gz DNBODPXKKIIOSM-YPMHNXCESA-N 0 0 301.346 0.846 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC[C@H]1O ZINC000408374870 160094693 /nfs/dbraw/zinc/09/46/93/160094693.db2.gz IYQXCITZKTVCEF-LDYMZIIASA-N 0 0 316.354 0.316 10 0 DCAERN CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000408374635 160094738 /nfs/dbraw/zinc/09/47/38/160094738.db2.gz IMOKYAINLFPKAT-MJBXVCDLSA-N 0 0 308.426 0.733 10 0 DCAERN C[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CC[C@H]1O ZINC000408375506 160095107 /nfs/dbraw/zinc/09/51/07/160095107.db2.gz KPWBOGLEWPAIJM-SMDDNHRTSA-N 0 0 301.346 0.626 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC000408377011 160095349 /nfs/dbraw/zinc/09/53/49/160095349.db2.gz YWHBEZNRYVDRFL-FRRDWIJNSA-N 0 0 318.439 0.732 10 0 DCAERN CSC1(CNC(=O)N2CCO[C@@H](CO)C2)CCOCC1 ZINC000408380579 160095775 /nfs/dbraw/zinc/09/57/75/160095775.db2.gz AQHUTULDHFLIPU-LLVKDONJSA-N 0 0 304.412 0.301 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1OC ZINC000408386562 160097324 /nfs/dbraw/zinc/09/73/24/160097324.db2.gz PCAHHKYDHKFDQZ-RKDXNWHRSA-N 0 0 309.775 0.108 10 0 DCAERN CC(C)NS(=O)(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000408386432 160097595 /nfs/dbraw/zinc/09/75/95/160097595.db2.gz PIBBLWYDWHJEJZ-JTQLQIEISA-N 0 0 318.399 0.809 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000408391277 160098509 /nfs/dbraw/zinc/09/85/09/160098509.db2.gz BXDSKVIEHGFKQR-JTQLQIEISA-N 0 0 308.407 0.710 10 0 DCAERN Cn1cc([C@H]2CN(S(=O)(=O)C[C@H]3CCOC3)CCO2)cn1 ZINC000408391215 160098557 /nfs/dbraw/zinc/09/85/57/160098557.db2.gz BFBZFJWRVINFRE-WCQYABFASA-N 0 0 315.395 0.160 10 0 DCAERN O=C(NCCC[C@H]1CCCC[C@@H]1O)N1CCS(=O)(=O)CC1 ZINC000408395086 160099804 /nfs/dbraw/zinc/09/98/04/160099804.db2.gz LUYOULNRCVKAPQ-OLZOCXBDSA-N 0 0 318.439 0.758 10 0 DCAERN NC(=O)C1(O)CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 ZINC000408410330 160102532 /nfs/dbraw/zinc/10/25/32/160102532.db2.gz OAOMQYRMWWRHCK-UHFFFAOYSA-N 0 0 318.373 0.723 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408411376 160102680 /nfs/dbraw/zinc/10/26/80/160102680.db2.gz GREVINRTWSCTRC-UHFFFAOYSA-N 0 0 303.428 0.706 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)c(O)c2O1 ZINC000408410670 160103010 /nfs/dbraw/zinc/10/30/10/160103010.db2.gz WMAXVOCMGPYKFF-NSHDSACASA-N 0 0 320.345 0.432 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)C1 ZINC000408429081 160105853 /nfs/dbraw/zinc/10/58/53/160105853.db2.gz WRLFICNERATSLB-XQQFMLRXSA-N 0 0 324.425 0.601 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431960 160106867 /nfs/dbraw/zinc/10/68/67/160106867.db2.gz CODJCXZUSQTGAU-QWRGUYRKSA-N 0 0 317.386 0.296 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCCO1 ZINC000408440852 160108183 /nfs/dbraw/zinc/10/81/83/160108183.db2.gz BHNGXRNWUOYUPM-WCQYABFASA-N 0 0 304.412 0.343 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@]2(C)CCCC[C@@H]2O)N(C(C)=O)C1 ZINC000408443490 160109237 /nfs/dbraw/zinc/10/92/37/160109237.db2.gz OCDXVSMMLNSGSD-FQLMCAECSA-N 0 0 312.410 0.680 10 0 DCAERN Cn1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2ccoc2)n1 ZINC000408447509 160109931 /nfs/dbraw/zinc/10/99/31/160109931.db2.gz FTIDSASDEIQXHF-KBPBESRZSA-N 0 0 316.361 0.835 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCc2sccc2[C@H]1C ZINC000408451683 160110889 /nfs/dbraw/zinc/11/08/89/160110889.db2.gz JTQJGRUXRJKMCN-MRVPVSSYSA-N 0 0 303.409 0.248 10 0 DCAERN O=C(CN1C[C@@H]2C[C@H]1CS2)N1CCN(c2cnccn2)CC1 ZINC000408466834 160114155 /nfs/dbraw/zinc/11/41/55/160114155.db2.gz MODFBWRQDGNISJ-STQMWFEESA-N 0 0 319.434 0.315 10 0 DCAERN CNC(=O)N1CCN(C(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000408467486 160114363 /nfs/dbraw/zinc/11/43/63/160114363.db2.gz LEJJUNUDHMDATK-UHFFFAOYSA-N 0 0 305.313 0.799 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000408472759 160115165 /nfs/dbraw/zinc/11/51/65/160115165.db2.gz WVPXPXRFABEGHN-BFHYXJOUSA-N 0 0 312.410 0.776 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000408470620 160115878 /nfs/dbraw/zinc/11/58/78/160115878.db2.gz UZTCFPYXMHLVJS-WCABBAIRSA-N 0 0 311.411 0.860 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000047722828 286888361 /nfs/dbraw/zinc/88/83/61/286888361.db2.gz RTERPGQUTVHOBO-HNNXBMFYSA-N 0 0 323.441 0.910 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCCCNC1=O ZINC000077280566 286920930 /nfs/dbraw/zinc/92/09/30/286920930.db2.gz XNQYPRMIJAASFC-NSHDSACASA-N 0 0 302.334 0.115 10 0 DCAERN Cc1ccc(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000111356378 286942217 /nfs/dbraw/zinc/94/22/17/286942217.db2.gz QSXKBAFKPHDWBA-CHWSQXEVSA-N 0 0 313.423 0.876 10 0 DCAERN COCCc1cc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n(C)n1 ZINC000127841873 286979867 /nfs/dbraw/zinc/97/98/67/286979867.db2.gz WUYUUPFCUKKCCX-QWRGUYRKSA-N 0 0 323.397 0.775 10 0 DCAERN Cc1c(C(=O)N2CCOC(C)(C)C2)cccc1S(N)(=O)=O ZINC000130403122 286994035 /nfs/dbraw/zinc/99/40/35/286994035.db2.gz UCFXRHDUEWROJC-UHFFFAOYSA-N 0 0 312.391 0.893 10 0 DCAERN CCN(CCc1nccs1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000132020638 287003165 /nfs/dbraw/zinc/00/31/65/287003165.db2.gz ZQOSTYSJVUHDNL-UHFFFAOYSA-N 0 0 324.406 0.865 10 0 DCAERN O=C(CCNc1cncc(OCCO)n1)NCc1ccccc1 ZINC000132110863 287003490 /nfs/dbraw/zinc/00/34/90/287003490.db2.gz AWUGTBGAFFVHJT-UHFFFAOYSA-N 0 0 316.361 0.966 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC000132297217 287005073 /nfs/dbraw/zinc/00/50/73/287005073.db2.gz SYAHMKCUKQOBKF-WDEREUQCSA-N 0 0 307.350 0.560 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@H](C)[C@H](C)CO)c1C ZINC000131396221 287000049 /nfs/dbraw/zinc/00/00/49/287000049.db2.gz ZYYCRIREGZOUKR-MWLCHTKSSA-N 0 0 314.407 0.698 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000131405745 287000237 /nfs/dbraw/zinc/00/02/37/287000237.db2.gz OQOPNHOKSAIGCP-AAEUAGOBSA-N 0 0 318.373 0.826 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NCCCc1cccc(F)c1 ZINC000133427033 287010853 /nfs/dbraw/zinc/01/08/53/287010853.db2.gz GDEUPDPUDTYGQE-UHFFFAOYSA-N 0 0 309.341 0.079 10 0 DCAERN C[C@]1(CO)CCC[C@H]1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000135738445 287024399 /nfs/dbraw/zinc/02/43/99/287024399.db2.gz WTHYRYCTCCOLDY-TZMCWYRMSA-N 0 0 318.439 0.325 10 0 DCAERN CCCn1nccc1NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000135827574 287024727 /nfs/dbraw/zinc/02/47/27/287024727.db2.gz YYRDJDLBPUPDII-UHFFFAOYSA-N 0 0 313.321 0.687 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000135561383 287023338 /nfs/dbraw/zinc/02/33/38/287023338.db2.gz VWBZYUFPMROLND-JHJVBQTASA-N 0 0 318.439 0.874 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCC(=O)NC(C)C ZINC000136863258 287027110 /nfs/dbraw/zinc/02/71/10/287027110.db2.gz QYOXMPOYXWSOGS-NSHDSACASA-N 0 0 300.403 0.505 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000151675307 287035353 /nfs/dbraw/zinc/03/53/53/287035353.db2.gz PFGFSSNZCRDCRC-UHFFFAOYSA-N 0 0 311.345 0.973 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000152090220 287038200 /nfs/dbraw/zinc/03/82/00/287038200.db2.gz XPFLJJDZHXJIOF-ZDUSSCGKSA-N 0 0 322.409 0.307 10 0 DCAERN CCc1noc(CC)c1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000152389760 287041067 /nfs/dbraw/zinc/04/10/67/287041067.db2.gz OENLFIFUXYSXEG-UHFFFAOYSA-N 0 0 320.349 0.378 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000152755294 287044171 /nfs/dbraw/zinc/04/41/71/287044171.db2.gz JULCXADWJFTDND-HUUCEWRRSA-N 0 0 322.405 0.260 10 0 DCAERN CCCOc1cccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000153429100 287050129 /nfs/dbraw/zinc/05/01/29/287050129.db2.gz PYTQNOSNTRTMAJ-CYBMUJFWSA-N 0 0 304.346 0.939 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177369639 287054623 /nfs/dbraw/zinc/05/46/23/287054623.db2.gz UHRJKQAXXSKZQS-GFCCVEGCSA-N 0 0 322.413 0.523 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000185906401 287057386 /nfs/dbraw/zinc/05/73/86/287057386.db2.gz HWKMILIAXCLSHV-SECBINFHSA-N 0 0 304.297 0.522 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCN1CC(F)F ZINC000245746511 287072579 /nfs/dbraw/zinc/07/25/79/287072579.db2.gz MYZOMHHFGUEDBK-QWRGUYRKSA-N 0 0 303.353 0.701 10 0 DCAERN CC(C)COC[C@H](O)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245781826 287072827 /nfs/dbraw/zinc/07/28/27/287072827.db2.gz CHTSKSOTWAPSLQ-CHWSQXEVSA-N 0 0 308.444 0.586 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190815534 287074866 /nfs/dbraw/zinc/07/48/66/287074866.db2.gz KFGZGCODBFJDFI-LLVKDONJSA-N 0 0 309.341 0.907 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000246082527 287076160 /nfs/dbraw/zinc/07/61/60/287076160.db2.gz HGJBEKOVRKNFAW-ZIAGYGMSSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000246204944 287079162 /nfs/dbraw/zinc/07/91/62/287079162.db2.gz QQBNSKASRNYLCL-IHRRRGAJSA-N 0 0 319.471 0.350 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246163465 287078171 /nfs/dbraw/zinc/07/81/71/287078171.db2.gz AWFJPIWYYHUPGA-NHCYSSNCSA-N 0 0 316.427 0.733 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)C[C@H](C)O1 ZINC000246476767 287083971 /nfs/dbraw/zinc/08/39/71/287083971.db2.gz QJZHLEOHBPHYKU-TUAOUCFPSA-N 0 0 306.428 0.576 10 0 DCAERN COC(=O)[C@H](C)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000246480139 287084374 /nfs/dbraw/zinc/08/43/74/287084374.db2.gz HPELOFZEJSMPNF-SCDSUCTJSA-N 0 0 304.346 0.789 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000246677030 287086734 /nfs/dbraw/zinc/08/67/34/287086734.db2.gz VELICYUMLTXFTQ-WDEREUQCSA-N 0 0 312.457 0.328 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000246972042 287089617 /nfs/dbraw/zinc/08/96/17/287089617.db2.gz GRRIFPMBIIYVOH-UONOGXRCSA-N 0 0 313.419 0.854 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000248470656 287097661 /nfs/dbraw/zinc/09/76/61/287097661.db2.gz IDNWSZDKUJWGAD-AEYLBHKESA-N 0 0 312.457 0.039 10 0 DCAERN COCCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@@H]1C ZINC000248506716 287098107 /nfs/dbraw/zinc/09/81/07/287098107.db2.gz WYDPHBQCDLECJI-JGRMJRGVSA-N 0 0 305.444 0.116 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248503600 287098127 /nfs/dbraw/zinc/09/81/27/287098127.db2.gz VBJHYIPHOGRKPY-AHHJTMGVSA-N 0 0 312.457 0.039 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000248820966 287102049 /nfs/dbraw/zinc/10/20/49/287102049.db2.gz BNWPOMPYFJCGCN-UMVBOHGHSA-N 0 0 323.437 0.790 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000248865461 287102184 /nfs/dbraw/zinc/10/21/84/287102184.db2.gz NFHPRKWILLOZST-GRYCIOLGSA-N 0 0 304.412 0.151 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000248840886 287102392 /nfs/dbraw/zinc/10/23/92/287102392.db2.gz GAQXJBZGHHYUSY-ILXRZTDVSA-N 0 0 324.421 0.899 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000248695604 287100270 /nfs/dbraw/zinc/10/02/70/287100270.db2.gz JPASBIDBDNCZTJ-XQQFMLRXSA-N 0 0 305.444 0.102 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116726 287106755 /nfs/dbraw/zinc/10/67/55/287106755.db2.gz BIUJRZCUFHYJKV-MNOVXSKESA-N 0 0 316.423 0.972 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC2(C)C)C[C@@H](C)O1 ZINC000249137193 287106918 /nfs/dbraw/zinc/10/69/18/287106918.db2.gz FACGLIWIKNWFAD-BFKGZMGPSA-N 0 0 324.468 0.183 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CCO)[C@H](C)C1 ZINC000249576274 287114458 /nfs/dbraw/zinc/11/44/58/287114458.db2.gz PPWNRGPDKJCYRY-QXSJWSMHSA-N 0 0 311.470 0.878 10 0 DCAERN CCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C(C)(C)C1=O ZINC000249493513 287112083 /nfs/dbraw/zinc/11/20/83/287112083.db2.gz YXUTWGTWBPSCGK-GFCCVEGCSA-N 0 0 317.455 0.906 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H](C)O1 ZINC000253295798 287121253 /nfs/dbraw/zinc/12/12/53/287121253.db2.gz RXYKRMZOJCLBSO-XQQFMLRXSA-N 0 0 306.428 0.699 10 0 DCAERN CNS(=O)(=O)NC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000280912618 287135681 /nfs/dbraw/zinc/13/56/81/287135681.db2.gz DZCGOZRLASXOHC-UHFFFAOYSA-N 0 0 311.411 0.377 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC000357269889 287205073 /nfs/dbraw/zinc/20/50/73/287205073.db2.gz OPRVAROALQZZML-RKDXNWHRSA-N 0 0 316.308 0.578 10 0 DCAERN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000408355189 287233707 /nfs/dbraw/zinc/23/37/07/287233707.db2.gz LLUWERQOTDJSBY-NXEZZACHSA-N 0 0 313.379 0.438 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000129418584 196047002 /nfs/dbraw/zinc/04/70/02/196047002.db2.gz TXVSANMKZZWKIO-JTQLQIEISA-N 0 0 317.415 0.436 10 0 DCAERN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCCC2CC2)n1 ZINC000530782830 412274939 /nfs/dbraw/zinc/27/49/39/412274939.db2.gz TWABBOJEPNJNBM-UHFFFAOYSA-N 0 0 321.381 0.216 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)n1 ZINC000545329205 412306781 /nfs/dbraw/zinc/30/67/81/412306781.db2.gz USFTVUXCPMXWOQ-SNVBAGLBSA-N 0 0 324.385 0.138 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000544315356 412325605 /nfs/dbraw/zinc/32/56/05/412325605.db2.gz QLCNLJMLUSUBDQ-VIFPVBQESA-N 0 0 310.358 0.012 10 0 DCAERN Cc1ccc2c(c1)N(CCC(=O)N1CCOCC1)C(=O)CO2 ZINC000000423136 415125293 /nfs/dbraw/zinc/12/52/93/415125293.db2.gz SXPPXEBNMJDGAT-UHFFFAOYSA-N 0 0 304.346 0.969 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC000266800969 415142330 /nfs/dbraw/zinc/14/23/30/415142330.db2.gz BUSAPLNDTMDJST-STQMWFEESA-N 0 0 320.393 0.593 10 0 DCAERN CCOC[C@H](C)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000044414376 415220140 /nfs/dbraw/zinc/22/01/40/415220140.db2.gz YLNWHQROPSFDEJ-VIFPVBQESA-N 0 0 322.408 0.037 10 0 DCAERN CCN1CCN(CC(=O)N[C@@H](C)c2cccs2)C(=O)C1=O ZINC000045016824 415244733 /nfs/dbraw/zinc/24/47/33/415244733.db2.gz PYNIXPBUUMUAES-JTQLQIEISA-N 0 0 309.391 0.616 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)sc1C ZINC000272033680 415271175 /nfs/dbraw/zinc/27/11/75/415271175.db2.gz XGYIUQCRNWYZNW-SECBINFHSA-N 0 0 304.393 0.240 10 0 DCAERN CC(C)COC1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000049318079 415306298 /nfs/dbraw/zinc/30/62/98/415306298.db2.gz VNZVCYIOAYQTCL-UHFFFAOYSA-N 0 0 306.428 0.589 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCC1=O ZINC000275202467 415371087 /nfs/dbraw/zinc/37/10/87/415371087.db2.gz DOVZJBYBFVCBIX-IJLUTSLNSA-N 0 0 306.362 0.599 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1CCCSC1 ZINC000332836536 415488485 /nfs/dbraw/zinc/48/84/85/415488485.db2.gz LMWSQVSLBXUHLS-GHMZBOCLSA-N 0 0 321.468 0.592 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000083087499 415490113 /nfs/dbraw/zinc/49/01/13/415490113.db2.gz NPJMGHOSQTWGRU-UHFFFAOYSA-N 0 0 314.407 0.820 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)CN(C#N)c1ccccc1 ZINC000084649105 415497917 /nfs/dbraw/zinc/49/79/17/415497917.db2.gz URRNKDKYCZOHOA-UHFFFAOYSA-N 0 0 316.361 0.291 10 0 DCAERN Cc1noc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000332761086 415465106 /nfs/dbraw/zinc/46/51/06/415465106.db2.gz RPTPDIBHOHEVLC-VXGBXAGGSA-N 0 0 309.370 0.035 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C1CCCC1 ZINC000332758748 415465621 /nfs/dbraw/zinc/46/56/21/415465621.db2.gz OKMMGKXGUMCBIF-OAGGEKHMSA-N 0 0 323.437 0.613 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332757544 415466846 /nfs/dbraw/zinc/46/68/46/415466846.db2.gz PZCOKDUEZOJMCL-CBBWQLFWSA-N 0 0 311.426 0.075 10 0 DCAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC(CO)CO)cc1 ZINC000086430651 415511024 /nfs/dbraw/zinc/51/10/24/415511024.db2.gz GBJKMIPJRJFYMS-LLVKDONJSA-N 0 0 318.377 0.894 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)[C@H](C)CO1 ZINC000088793106 415519287 /nfs/dbraw/zinc/51/92/87/415519287.db2.gz GZWVEDXJAZPQSI-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC1CC(O)C1 ZINC000091490146 415534003 /nfs/dbraw/zinc/53/40/03/415534003.db2.gz HTKAQQUPZDRHOP-BPCQOVAHSA-N 0 0 318.439 0.420 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CC(O)C1 ZINC000091525570 415534213 /nfs/dbraw/zinc/53/42/13/415534213.db2.gz VJDCNWDCRRDKTK-MCIGGMRASA-N 0 0 304.412 0.078 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000091414413 415535764 /nfs/dbraw/zinc/53/57/64/415535764.db2.gz JAXODXHJUXWAJJ-UHFFFAOYSA-N 0 0 311.288 0.498 10 0 DCAERN COCCOc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1 ZINC000091525307 415537036 /nfs/dbraw/zinc/53/70/36/415537036.db2.gz JKLWXUHHSFCFMU-UHFFFAOYSA-N 0 0 315.391 0.761 10 0 DCAERN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333133328 415567168 /nfs/dbraw/zinc/56/71/68/415567168.db2.gz IYZJOMDMMPTIRV-LSDHHAIUSA-N 0 0 321.421 0.668 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333302845 415604438 /nfs/dbraw/zinc/60/44/38/415604438.db2.gz MPRXNIQSKCUFHW-UPJWGTAASA-N 0 0 307.398 0.668 10 0 DCAERN COc1nccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)n1 ZINC000285227243 415611717 /nfs/dbraw/zinc/61/17/17/415611717.db2.gz PTHCBWMZZWHTEW-MNOVXSKESA-N 0 0 307.354 0.422 10 0 DCAERN Cc1noc2ncc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)cc12 ZINC000285587133 415614024 /nfs/dbraw/zinc/61/40/24/415614024.db2.gz SWRRZPCUNJEVJH-KCJUWKMLSA-N 0 0 304.306 0.246 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285791671 415620530 /nfs/dbraw/zinc/62/05/30/415620530.db2.gz LZVREKRWDVABRF-MNOVXSKESA-N 0 0 316.365 0.579 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000343510646 415623679 /nfs/dbraw/zinc/62/36/79/415623679.db2.gz BXKZESNLZAJCGL-WDEREUQCSA-N 0 0 317.345 0.799 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@H](OCCO)C1 ZINC000333180174 415578011 /nfs/dbraw/zinc/57/80/11/415578011.db2.gz POZLFBIXSISNPR-ZOBORPQBSA-N 0 0 303.424 0.978 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@@H](OCCO)C1 ZINC000333180171 415578374 /nfs/dbraw/zinc/57/83/74/415578374.db2.gz POZLFBIXSISNPR-RQJABVFESA-N 0 0 303.424 0.978 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)CC(=O)N1C ZINC000282077850 415578845 /nfs/dbraw/zinc/57/88/45/415578845.db2.gz CGMFOBYLZZPQJO-ZJUUUORDSA-N 0 0 317.345 0.709 10 0 DCAERN Cc1cccc(-c2nnc(N3CCS(=O)(=O)[C@H](C)C3)n2C)n1 ZINC000282614953 415582940 /nfs/dbraw/zinc/58/29/40/415582940.db2.gz ZJPCLBOVHDIBTE-LLVKDONJSA-N 0 0 321.406 0.809 10 0 DCAERN CO[C@H]1C[C@H](C(=O)Nc2cnc(C)s2)N(S(C)(=O)=O)C1 ZINC000333260606 415595887 /nfs/dbraw/zinc/59/58/87/415595887.db2.gz GCCNRWIEXDGJCV-DTWKUNHWSA-N 0 0 319.408 0.439 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000333443870 415652248 /nfs/dbraw/zinc/65/22/48/415652248.db2.gz QEQHBJCPTRJNJS-MCIONIFRSA-N 0 0 320.455 0.536 10 0 DCAERN CCc1nc(CNC(=O)c2cn(CC(=O)N(C)C)nn2)cs1 ZINC000107615100 415671088 /nfs/dbraw/zinc/67/10/88/415671088.db2.gz PWAACPMPOIPVDG-UHFFFAOYSA-N 0 0 322.394 0.315 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000333539612 415677851 /nfs/dbraw/zinc/67/78/51/415677851.db2.gz JBXRTRXPSQPAJE-RISCZKNCSA-N 0 0 315.393 0.133 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000333576720 415687897 /nfs/dbraw/zinc/68/78/97/415687897.db2.gz NFJLAUNMTNTGAT-REWJHTLYSA-N 0 0 323.393 0.589 10 0 DCAERN COC(=O)CCCc1nc(CN2CCC[C@@H](NC(C)=O)C2)no1 ZINC000111202515 415690687 /nfs/dbraw/zinc/69/06/87/415690687.db2.gz OZAJGMFWHNRMKK-GFCCVEGCSA-N 0 0 324.381 0.666 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000333609808 415694325 /nfs/dbraw/zinc/69/43/25/415694325.db2.gz GLWVZLBEHBUNJU-OLZOCXBDSA-N 0 0 320.393 0.877 10 0 DCAERN O=S(=O)(NC1CCCC1)C1CN(Cc2cnns2)C1 ZINC000333704823 415717714 /nfs/dbraw/zinc/71/77/14/415717714.db2.gz OUTGJZPLFVYCRF-UHFFFAOYSA-N 0 0 302.425 0.584 10 0 DCAERN CCC(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000333709032 415721846 /nfs/dbraw/zinc/72/18/46/415721846.db2.gz ICKWIIPTSIINQQ-KBPBESRZSA-N 0 0 309.410 0.668 10 0 DCAERN CC[C@H]1COCCN1C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000115301870 415725206 /nfs/dbraw/zinc/72/52/06/415725206.db2.gz CJUHZCNBCFBYRN-LBPRGKRZSA-N 0 0 303.366 0.921 10 0 DCAERN O=Cc1ccc(OCCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112659650 415710565 /nfs/dbraw/zinc/71/05/65/415710565.db2.gz KJAUVVLZMBHLTL-ZDUSSCGKSA-N 0 0 314.345 0.991 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1F ZINC000119440107 415747898 /nfs/dbraw/zinc/74/78/98/415747898.db2.gz ABZINKCFZKSZRU-SNVBAGLBSA-N 0 0 305.309 0.862 10 0 DCAERN COc1ccnc(N2CCN(CC[C@H]3CCOC3=O)CC2)n1 ZINC000120226307 415761252 /nfs/dbraw/zinc/76/12/52/415761252.db2.gz OKOKWRURXZEKCX-LBPRGKRZSA-N 0 0 306.366 0.560 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(F)F ZINC000120455684 415769572 /nfs/dbraw/zinc/76/95/72/415769572.db2.gz UUXBAGSTXDOADD-ZETCQYMHSA-N 0 0 317.317 0.495 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000120511514 415770998 /nfs/dbraw/zinc/77/09/98/415770998.db2.gz PHCNPGNFEPUASV-MNOVXSKESA-N 0 0 314.407 0.965 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2CC(N)=O)C1 ZINC000119855183 415752112 /nfs/dbraw/zinc/75/21/12/415752112.db2.gz ZWRSZYRMZUGFPI-CHWSQXEVSA-N 0 0 309.410 0.892 10 0 DCAERN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c1 ZINC000122287466 415830815 /nfs/dbraw/zinc/83/08/15/415830815.db2.gz FIDDHZJADZNKKJ-SNVBAGLBSA-N 0 0 323.374 0.846 10 0 DCAERN O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N1CCC[C@@H]1CO ZINC000121172208 415798091 /nfs/dbraw/zinc/79/80/91/415798091.db2.gz RLKSOBYODLGFFQ-CQSZACIVSA-N 0 0 314.345 0.794 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCS(=O)(=O)CC(C)C)C1 ZINC000121685449 415814349 /nfs/dbraw/zinc/81/43/49/415814349.db2.gz QAPYWWHNSXLCNG-UHFFFAOYSA-N 0 0 304.412 0.042 10 0 DCAERN CCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@H]1CCOC1 ZINC000336835227 415825116 /nfs/dbraw/zinc/82/51/16/415825116.db2.gz JFWJWBWJJANGGJ-VIFPVBQESA-N 0 0 302.352 0.486 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000126502831 415877583 /nfs/dbraw/zinc/87/75/83/415877583.db2.gz IDRYPZZYZWFABH-NWDGAFQWSA-N 0 0 318.443 0.357 10 0 DCAERN C[C@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000127529503 415888017 /nfs/dbraw/zinc/88/80/17/415888017.db2.gz LSIDRSBYQJIVPO-WCQYABFASA-N 0 0 306.362 0.884 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1nccnc1N ZINC000129195843 415906690 /nfs/dbraw/zinc/90/66/90/415906690.db2.gz DDIFWGZPYMLNFN-SNVBAGLBSA-N 0 0 324.344 0.587 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N(CCO)CCOC)cc1F ZINC000129522764 415910282 /nfs/dbraw/zinc/91/02/82/415910282.db2.gz WQGVAHUUMZTSPL-UHFFFAOYSA-N 0 0 312.341 0.794 10 0 DCAERN C[C@H](c1ccccc1)N(CC(N)=O)C[C@H](O)CN1CCCC1=O ZINC000130778815 415924511 /nfs/dbraw/zinc/92/45/11/415924511.db2.gz BPMRGVLJXWZEKZ-UKRRQHHQSA-N 0 0 319.405 0.518 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnn1CCC ZINC000125404823 415864247 /nfs/dbraw/zinc/86/42/47/415864247.db2.gz FBODHIZGYBIEKW-NSHDSACASA-N 0 0 321.381 0.359 10 0 DCAERN CCC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000133189701 415944076 /nfs/dbraw/zinc/94/40/76/415944076.db2.gz IZJIAGCMUKDGLX-NWDGAFQWSA-N 0 0 303.428 0.564 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCNC(=O)CC2)ccc1N(C)C ZINC000133767887 415950765 /nfs/dbraw/zinc/95/07/65/415950765.db2.gz KSAXTZQOHFSKLT-UHFFFAOYSA-N 0 0 318.377 0.348 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000133814141 415951055 /nfs/dbraw/zinc/95/10/55/415951055.db2.gz XXQLMVPUXKBQQZ-LBPRGKRZSA-N 0 0 313.357 0.850 10 0 DCAERN Cc1ccc(C(C)(C)CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000133966215 415952279 /nfs/dbraw/zinc/95/22/79/415952279.db2.gz AIYDRGISLPINPT-LBPRGKRZSA-N 0 0 303.362 0.987 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000153647092 415985995 /nfs/dbraw/zinc/98/59/95/415985995.db2.gz FEZICHYRUPPKHA-STQMWFEESA-N 0 0 305.382 0.577 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(C(F)(F)F)n1 ZINC000153998400 415989626 /nfs/dbraw/zinc/98/96/26/415989626.db2.gz IGZNPCXITAJIBV-ZETCQYMHSA-N 0 0 304.272 0.533 10 0 DCAERN Cc1ccc(CNC(=O)C2CC3(C2)NC(=O)NC3=O)c(C)c1 ZINC000154995091 415992915 /nfs/dbraw/zinc/99/29/15/415992915.db2.gz VWTZKNQKWKBIFW-UHFFFAOYSA-N 0 0 301.346 0.908 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337693925 415996916 /nfs/dbraw/zinc/99/69/16/415996916.db2.gz QXPCDUHQBDLMED-NSHDSACASA-N 0 0 310.398 0.117 10 0 DCAERN Cc1c(C(=O)N2CC[C@]3(CCOC3)C2)cccc1S(N)(=O)=O ZINC000158560214 415999364 /nfs/dbraw/zinc/99/93/64/415999364.db2.gz JPDDKIOZFXALHF-HNNXBMFYSA-N 0 0 324.402 0.895 10 0 DCAERN C[NH+](C)CCN1CCC(Nc2cncc(OCCO)n2)CC1 ZINC000131326168 415930940 /nfs/dbraw/zinc/93/09/40/415930940.db2.gz OHYMQTSTUPXSJZ-UHFFFAOYSA-N 0 0 309.414 0.286 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132643430 415933191 /nfs/dbraw/zinc/93/31/91/415933191.db2.gz XNWQVJGKADLAQE-MNOVXSKESA-N 0 0 304.350 0.007 10 0 DCAERN CC(=O)CSCC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337714741 416000465 /nfs/dbraw/zinc/00/04/65/416000465.db2.gz FBICITIRGWRXOY-GHMZBOCLSA-N 0 0 322.452 0.143 10 0 DCAERN C[C@H]1[C@H](O)CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000296829056 415935796 /nfs/dbraw/zinc/93/57/96/415935796.db2.gz HNIZJWXAZUKJKW-GXSJLCMTSA-N 0 0 307.375 0.830 10 0 DCAERN C[C@H]1[C@@H](O)CCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000296829067 415935807 /nfs/dbraw/zinc/93/58/07/415935807.db2.gz HNIZJWXAZUKJKW-ONGXEEELSA-N 0 0 307.375 0.830 10 0 DCAERN OCCOCCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000132982819 415937820 /nfs/dbraw/zinc/93/78/20/415937820.db2.gz KGYNULHZMXEFHF-INIZCTEOSA-N 0 0 324.421 0.053 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171900065 416042553 /nfs/dbraw/zinc/04/25/53/416042553.db2.gz CHDYNWXCVGGVRB-CYBMUJFWSA-N 0 0 323.397 0.208 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000345106205 416044978 /nfs/dbraw/zinc/04/49/78/416044978.db2.gz IQHPMVKDHNAWDV-OLZOCXBDSA-N 0 0 320.393 0.953 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000172320343 416046210 /nfs/dbraw/zinc/04/62/10/416046210.db2.gz ASDPWDCIPZAQIP-UHFFFAOYSA-N 0 0 303.362 0.984 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CNC(=O)c1ccccn1 ZINC000173028699 416051093 /nfs/dbraw/zinc/05/10/93/416051093.db2.gz ONVKQDGSQBLNAQ-UHFFFAOYSA-N 0 0 315.377 0.980 10 0 DCAERN O=S(=O)(CC1CCOCC1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000173173728 416054051 /nfs/dbraw/zinc/05/40/51/416054051.db2.gz LDQDHQNRMDREHX-CQSZACIVSA-N 0 0 318.439 0.196 10 0 DCAERN CC(=O)N1CC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 ZINC000173207222 416054689 /nfs/dbraw/zinc/05/46/89/416054689.db2.gz KOVQJKDEAQVCCC-UHFFFAOYSA-N 0 0 314.345 0.516 10 0 DCAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000173357302 416057563 /nfs/dbraw/zinc/05/75/63/416057563.db2.gz LMPBKJSNJXXCRM-CBAPKCEASA-N 0 0 321.303 0.553 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N(C)Cc1cnccn1 ZINC000301306736 416079988 /nfs/dbraw/zinc/07/99/88/416079988.db2.gz ZIGJCJOVUSBHKG-UHFFFAOYSA-N 0 0 313.321 0.426 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000173460044 416058649 /nfs/dbraw/zinc/05/86/49/416058649.db2.gz FWDPZYYIQWTYNI-UHFFFAOYSA-N 0 0 314.411 0.479 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)C1 ZINC000173546425 416059482 /nfs/dbraw/zinc/05/94/82/416059482.db2.gz HJULVDALQUNPQO-STQMWFEESA-N 0 0 321.381 0.272 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)c1cccn2c(=O)[nH]nc12 ZINC000357301701 416060162 /nfs/dbraw/zinc/06/01/62/416060162.db2.gz GCUFBRHBSWHTIX-LBPRGKRZSA-N 0 0 312.329 0.941 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338229962 416061888 /nfs/dbraw/zinc/06/18/88/416061888.db2.gz FERAPGLFJWTIHR-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN Cc1cc(NC(=O)CCN2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660289 416062003 /nfs/dbraw/zinc/06/20/03/416062003.db2.gz IUYFIEVNPJZMCN-NSHDSACASA-N 0 0 320.353 0.812 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CCn3cc(C)cn3)CCO2)[nH]1 ZINC000173564620 416062069 /nfs/dbraw/zinc/06/20/69/416062069.db2.gz LOZFMUXSUVOWJX-GFCCVEGCSA-N 0 0 318.381 0.862 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCN(C4CC4)CC3)C2=O)n(C)n1 ZINC000173579467 416062337 /nfs/dbraw/zinc/06/23/37/416062337.db2.gz QBWVOTNSRUJEHE-AWEZNQCLSA-N 0 0 303.410 0.614 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173604542 416062700 /nfs/dbraw/zinc/06/27/00/416062700.db2.gz YNVJGKYIIGDISL-LBPRGKRZSA-N 0 0 315.333 0.426 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000173696179 416063953 /nfs/dbraw/zinc/06/39/53/416063953.db2.gz WJWMVHNJSBEICJ-IUODEOHRSA-N 0 0 318.377 0.148 10 0 DCAERN C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@@H]1N1CCOCC1 ZINC000173821571 416066016 /nfs/dbraw/zinc/06/60/16/416066016.db2.gz IPFBGEVGOFPSER-KFWWJZLASA-N 0 0 312.410 0.219 10 0 DCAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NC(C1CC1)C1CC1 ZINC000173985841 416069085 /nfs/dbraw/zinc/06/90/85/416069085.db2.gz SRHZUSPBEFTZGM-HNNXBMFYSA-N 0 0 307.438 0.698 10 0 DCAERN O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954443 416071139 /nfs/dbraw/zinc/07/11/39/416071139.db2.gz RVSLWFUXUCWMGL-GJZGRUSLSA-N 0 0 324.396 0.972 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174010066 416071921 /nfs/dbraw/zinc/07/19/21/416071921.db2.gz AECZVFBDSQOSBA-OAHLLOKOSA-N 0 0 317.389 0.867 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000300422533 416072291 /nfs/dbraw/zinc/07/22/91/416072291.db2.gz HRLFYWKUBWNXNN-CSMHCCOUSA-N 0 0 319.301 0.171 10 0 DCAERN CCOCCN(C)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000357409338 416075516 /nfs/dbraw/zinc/07/55/16/416075516.db2.gz CSIZSGAJDXYBCZ-UHFFFAOYSA-N 0 0 303.384 0.042 10 0 DCAERN COC(=O)N1CCC[C@@H](Nc2nn3c(nccc3=O)s2)C1 ZINC000301170613 416075969 /nfs/dbraw/zinc/07/59/69/416075969.db2.gz JWWHROOQWYOMHP-MRVPVSSYSA-N 0 0 309.351 0.794 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCC(n3cncn3)CC2)nc1 ZINC000301221216 416077698 /nfs/dbraw/zinc/07/76/98/416077698.db2.gz BWZANQFPCFPBGW-UHFFFAOYSA-N 0 0 322.394 0.423 10 0 DCAERN CC(C)OC(=O)N1CCC(Nc2ccc3nnnn3n2)CC1 ZINC000301222139 416077810 /nfs/dbraw/zinc/07/78/10/416077810.db2.gz CBSLAWWWCDBQLH-UHFFFAOYSA-N 0 0 305.342 0.941 10 0 DCAERN O=C(CCc1ccccc1O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000171033036 416035865 /nfs/dbraw/zinc/03/58/65/416035865.db2.gz LJBNDRLDVLTNLX-GFCCVEGCSA-N 0 0 302.330 0.731 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000174795577 416087777 /nfs/dbraw/zinc/08/77/77/416087777.db2.gz DWTLGDMGQBWXMZ-SNVBAGLBSA-N 0 0 309.414 0.793 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000174936898 416089901 /nfs/dbraw/zinc/08/99/01/416089901.db2.gz IRLPMFNDTXOWSB-UHFFFAOYSA-N 0 0 304.354 0.436 10 0 DCAERN CNC(=O)c1cccnc1NC1CCN(C(=O)CCOC)CC1 ZINC000301704291 416090231 /nfs/dbraw/zinc/09/02/31/416090231.db2.gz RMJNAUUZVYBFEL-UHFFFAOYSA-N 0 0 320.393 0.881 10 0 DCAERN CC(C)OCCS(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000175120580 416097832 /nfs/dbraw/zinc/09/78/32/416097832.db2.gz XAQCWIJMXKZEBK-CYBMUJFWSA-N 0 0 306.428 0.194 10 0 DCAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(N)(=O)=O ZINC000175213236 416098488 /nfs/dbraw/zinc/09/84/88/416098488.db2.gz OQILRSYNUSJMGU-SNVBAGLBSA-N 0 0 305.425 0.257 10 0 DCAERN CCc1nnc([C@@H]2CN(c3nc(CCOC)ns3)CCO2)[nH]1 ZINC000302827877 416100885 /nfs/dbraw/zinc/10/08/85/416100885.db2.gz NUIDDDVYIGLSQI-VIFPVBQESA-N 0 0 324.410 0.985 10 0 DCAERN NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000175434577 416105567 /nfs/dbraw/zinc/10/55/67/416105567.db2.gz PRZWHLLDHCHGGY-LLVKDONJSA-N 0 0 309.391 0.273 10 0 DCAERN Cc1nc(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2)no1 ZINC000175699683 416113293 /nfs/dbraw/zinc/11/32/93/416113293.db2.gz XJOBOGFPPJOXLC-CYBMUJFWSA-N 0 0 315.333 0.761 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175912525 416116744 /nfs/dbraw/zinc/11/67/44/416116744.db2.gz IUTINGSCPFSQSC-ZIAGYGMSSA-N 0 0 305.378 0.444 10 0 DCAERN Cc1csc([C@H](C)NC(=O)NCCS(=O)(=O)N(C)C)n1 ZINC000357736338 416123738 /nfs/dbraw/zinc/12/37/38/416123738.db2.gz CGXJMAHHGJQDCA-VIFPVBQESA-N 0 0 320.440 0.703 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357742426 416125124 /nfs/dbraw/zinc/12/51/24/416125124.db2.gz HXCDLQWITGYUKX-LBPRGKRZSA-N 0 0 324.425 0.507 10 0 DCAERN CC[NH+](CC)CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176670647 416131573 /nfs/dbraw/zinc/13/15/73/416131573.db2.gz XLZDFECAHGJNMB-MRXNPFEDSA-N 0 0 310.486 0.957 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176888651 416136045 /nfs/dbraw/zinc/13/60/45/416136045.db2.gz JIADHDWHJNYITL-APPZFPTMSA-N 0 0 303.302 0.193 10 0 DCAERN O=C(CNC(=O)N[C@@H](CO)C1CCCC1)NCC(F)(F)F ZINC000357822841 416137762 /nfs/dbraw/zinc/13/77/62/416137762.db2.gz ZVIUWEONLUBGRE-VIFPVBQESA-N 0 0 311.304 0.515 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)s1 ZINC000328950411 416140558 /nfs/dbraw/zinc/14/05/58/416140558.db2.gz LGXXGOOUDHNFJW-ZJUUUORDSA-N 0 0 311.411 1.037 10 0 DCAERN COCCc1noc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000177233662 416142559 /nfs/dbraw/zinc/14/25/59/416142559.db2.gz SFFVGHRHDYPCPP-STQMWFEESA-N 0 0 310.398 0.411 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000177192790 416143076 /nfs/dbraw/zinc/14/30/76/416143076.db2.gz QYZYFXDDZAGRDY-UONOGXRCSA-N 0 0 319.409 0.973 10 0 DCAERN O=C(c1ncncc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000177194061 416143308 /nfs/dbraw/zinc/14/33/08/416143308.db2.gz HZMMTJGPGYTIDA-NSHDSACASA-N 0 0 310.785 0.924 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177554217 416148837 /nfs/dbraw/zinc/14/88/37/416148837.db2.gz WMFMLTMYJHEVJQ-LLVKDONJSA-N 0 0 314.411 0.690 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)c1c(C)nn(C)c1C ZINC000177708264 416150985 /nfs/dbraw/zinc/15/09/85/416150985.db2.gz OBDSEKIMAZROEH-NSHDSACASA-N 0 0 316.365 0.771 10 0 DCAERN O=C(CNC(=O)NCc1ccc2cc[nH]c2n1)N1CCOCC1 ZINC000357911560 416151984 /nfs/dbraw/zinc/15/19/84/416151984.db2.gz WWQVZCWZPJQVKW-UHFFFAOYSA-N 0 0 317.349 0.221 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cnc2ccccn2c1=O ZINC000151091602 196628544 /nfs/dbraw/zinc/62/85/44/196628544.db2.gz OBBAPIDMEVXATI-WCQYABFASA-N 0 0 301.346 0.975 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)C(C)C ZINC000178674022 416168844 /nfs/dbraw/zinc/16/88/44/416168844.db2.gz GAJNJWVONDRGBR-OAHLLOKOSA-N 0 0 315.377 0.832 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1nc(-c2cnn(C)c2)oc1C)C(C)C ZINC000178681304 416169510 /nfs/dbraw/zinc/16/95/10/416169510.db2.gz WDXUZGADRPELNR-LLVKDONJSA-N 0 0 319.365 0.884 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(C)C ZINC000178715388 416170290 /nfs/dbraw/zinc/17/02/90/416170290.db2.gz HYFMEWQZADUYQV-OLZOCXBDSA-N 0 0 304.346 0.655 10 0 DCAERN C[C@]1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCC[C@H]1O ZINC000178714237 416171145 /nfs/dbraw/zinc/17/11/45/416171145.db2.gz GLYVIDIGALGNFG-LALPHHSUSA-N 0 0 307.398 0.833 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)C(C)C ZINC000178712015 416171428 /nfs/dbraw/zinc/17/14/28/416171428.db2.gz MNCCDDXGYYZVHA-MRXNPFEDSA-N 0 0 315.373 0.888 10 0 DCAERN CCNS(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178786629 416171964 /nfs/dbraw/zinc/17/19/64/416171964.db2.gz IFUOTSZLGFAQCI-BXKDBHETSA-N 0 0 306.334 0.927 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000179168531 416183030 /nfs/dbraw/zinc/18/30/30/416183030.db2.gz QRXQRJOIAMMZGX-DGCLKSJQSA-N 0 0 306.366 0.695 10 0 DCAERN Cn1c2cccc(C(=O)NCC(=O)NC(C)(C)C)c2oc1=O ZINC000179125548 416183108 /nfs/dbraw/zinc/18/31/08/416183108.db2.gz UFBTXCIVZYDRMH-UHFFFAOYSA-N 0 0 305.334 0.776 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCOC(C)(C)[C@@H]2C)nn1 ZINC000329655625 416183789 /nfs/dbraw/zinc/18/37/89/416183789.db2.gz MHUPAWAUKLCFAL-CYZMBNFOSA-N 0 0 324.381 0.504 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)NC1CCN(c2ccccn2)CC1 ZINC000179522703 416188471 /nfs/dbraw/zinc/18/84/71/416188471.db2.gz BPSDGJLPQQTOPL-MRXNPFEDSA-N 0 0 320.393 0.501 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccc2)CCO1 ZINC000179504698 416188561 /nfs/dbraw/zinc/18/85/61/416188561.db2.gz HOBPNFDPNBRVMY-GFCCVEGCSA-N 0 0 315.333 0.795 10 0 DCAERN CC(=O)NC[C@H]1CN(Cc2cnc3cc(C)ccn23)CCO1 ZINC000179711722 416192508 /nfs/dbraw/zinc/19/25/08/416192508.db2.gz LONMPJMLLZNTNT-HNNXBMFYSA-N 0 0 302.378 0.980 10 0 DCAERN NS(=O)(=O)CCNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179830939 416192917 /nfs/dbraw/zinc/19/29/17/416192917.db2.gz UUQAPCFBLGNFPL-UHFFFAOYSA-N 0 0 309.351 0.487 10 0 DCAERN COC(=O)C1CCC(C(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC000180033647 416193911 /nfs/dbraw/zinc/19/39/11/416193911.db2.gz OXDCEYZIKVOUAV-UHFFFAOYSA-N 0 0 324.299 0.761 10 0 DCAERN CC[C@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000358109163 416194030 /nfs/dbraw/zinc/19/40/30/416194030.db2.gz IOOWSZRTRADAKR-NSHDSACASA-N 0 0 315.395 0.877 10 0 DCAERN Cc1nn(-c2ccccc2)cc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000181244334 416204239 /nfs/dbraw/zinc/20/42/39/416204239.db2.gz GJRMNLMBGWNKDJ-NSHDSACASA-N 0 0 313.317 0.717 10 0 DCAERN CC(C)COC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000181425674 416207654 /nfs/dbraw/zinc/20/76/54/416207654.db2.gz FBMYROXOFXIYGN-CQSZACIVSA-N 0 0 312.410 0.756 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccc3n[nH]nc3c2)cn1 ZINC000181442240 416207671 /nfs/dbraw/zinc/20/76/71/416207671.db2.gz LOHRCUKVEPHEOI-AWEZNQCLSA-N 0 0 311.349 0.478 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181410240 416208368 /nfs/dbraw/zinc/20/83/68/416208368.db2.gz LCKVZGLKLKDJBQ-JSGCOSHPSA-N 0 0 310.398 0.335 10 0 DCAERN COCCCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000181558105 416210449 /nfs/dbraw/zinc/21/04/49/416210449.db2.gz NIOYQZWTDXLOBK-CYBMUJFWSA-N 0 0 306.366 0.913 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000182009396 416214667 /nfs/dbraw/zinc/21/46/67/416214667.db2.gz WHRAUBYBFXWARX-UHFFFAOYSA-N 0 0 324.425 0.460 10 0 DCAERN COc1n[nH]c(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)n1 ZINC000182992517 416234683 /nfs/dbraw/zinc/23/46/83/416234683.db2.gz QUMMXMSLVNVIFF-SECBINFHSA-N 0 0 303.322 0.960 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@H](O)C1 ZINC000182520966 416224112 /nfs/dbraw/zinc/22/41/12/416224112.db2.gz QSAUWYQEBUSTOM-UONOGXRCSA-N 0 0 318.377 0.743 10 0 DCAERN CCn1c2ccc(C)cc2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000182499062 416225230 /nfs/dbraw/zinc/22/52/30/416225230.db2.gz RXPGOQJUORPQLN-JTQLQIEISA-N 0 0 315.333 0.901 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@H]1CO ZINC000182538875 416226586 /nfs/dbraw/zinc/22/65/86/416226586.db2.gz LCGPJSTUZUVFQQ-KBPBESRZSA-N 0 0 318.377 0.743 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CO)C1CC1 ZINC000358361135 416229478 /nfs/dbraw/zinc/22/94/78/416229478.db2.gz WHZIFSUFMFNISR-NWDGAFQWSA-N 0 0 300.424 0.823 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCCC[C@@H]1CN1CCOCC1 ZINC000178234611 416159181 /nfs/dbraw/zinc/15/91/81/416159181.db2.gz IAQOZJMVCOHDIL-OAHLLOKOSA-N 0 0 318.483 0.996 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N1CCOC[C@@H](C)C1)c1ccccc1 ZINC000357959422 416159842 /nfs/dbraw/zinc/15/98/42/416159842.db2.gz MKXFGXIMNRFZKW-DZGCQCFKSA-N 0 0 320.389 0.985 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCS[C@H]2COCC[C@H]21 ZINC000178477033 416164168 /nfs/dbraw/zinc/16/41/68/416164168.db2.gz XBWLSEJPHKJXBE-MNOVXSKESA-N 0 0 319.390 0.400 10 0 DCAERN Cc1csc([C@H](C)NC(=O)C(=O)NCCn2ccnc2C)n1 ZINC000357979851 416164518 /nfs/dbraw/zinc/16/45/18/416164518.db2.gz LJSUVHIEPSDEQV-JTQLQIEISA-N 0 0 321.406 0.950 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000183350960 416240773 /nfs/dbraw/zinc/24/07/73/416240773.db2.gz RAUQWHXVJHFMGH-WCQYABFASA-N 0 0 312.391 0.306 10 0 DCAERN CN(C)c1cc[nH+]cc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000183625108 416246298 /nfs/dbraw/zinc/24/62/98/416246298.db2.gz XUSLVPOXVHMJKO-UHFFFAOYSA-N 0 0 319.409 0.042 10 0 DCAERN C[C@@H](N[C@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636384 416248697 /nfs/dbraw/zinc/24/86/97/416248697.db2.gz YNURHMNVNTXFMR-IUODEOHRSA-N 0 0 319.405 0.435 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)N[C@H](C2CC2)C1=O ZINC000349107346 416253111 /nfs/dbraw/zinc/25/31/11/416253111.db2.gz HTUNRJCPNNOQRF-GMTAPVOTSA-N 0 0 300.380 0.673 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H](C)c2nccs2)C1 ZINC000185804037 416254172 /nfs/dbraw/zinc/25/41/72/416254172.db2.gz BQILKFYXEUQXEY-VIFPVBQESA-N 0 0 312.395 0.403 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NC1CCCCC1 ZINC000185949658 416254756 /nfs/dbraw/zinc/25/47/56/416254756.db2.gz NOHFVFDMKWQBMP-INIZCTEOSA-N 0 0 324.425 0.875 10 0 DCAERN C[NH+](C)CCN1CCC(NC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358584752 416258273 /nfs/dbraw/zinc/25/82/73/416258273.db2.gz CMUSZPJEDHESQY-CQSZACIVSA-N 0 0 312.458 0.330 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000186827999 416258895 /nfs/dbraw/zinc/25/88/95/416258895.db2.gz KREBMFPNQMLUSA-SNVBAGLBSA-N 0 0 306.341 0.841 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NC[C@@H](CO)C2CC2)CCC1 ZINC000359051644 416301640 /nfs/dbraw/zinc/30/16/40/416301640.db2.gz GDABTWIYUMQBPL-NSHDSACASA-N 0 0 304.412 0.271 10 0 DCAERN NC(=O)NC(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192474154 416305729 /nfs/dbraw/zinc/30/57/29/416305729.db2.gz MYSBMRXYJBGVFJ-UHFFFAOYSA-N 0 0 307.325 0.915 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000193030769 416311996 /nfs/dbraw/zinc/31/19/96/416311996.db2.gz MVWHCCOOHNOCPU-GFCCVEGCSA-N 0 0 304.350 0.456 10 0 DCAERN COC[C@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CCO1 ZINC000193026868 416312927 /nfs/dbraw/zinc/31/29/27/416312927.db2.gz XWKNLYLKFTUBHM-CYBMUJFWSA-N 0 0 317.345 0.980 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCC1CC(F)(F)C1 ZINC000358832242 416280879 /nfs/dbraw/zinc/28/08/79/416280879.db2.gz BDSFIBAKEGKNIA-CYBMUJFWSA-N 0 0 300.305 0.761 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190706011 416281978 /nfs/dbraw/zinc/28/19/78/416281978.db2.gz UWQBRUBLRILYJA-QMMMGPOBSA-N 0 0 316.345 0.973 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CCOC)C1 ZINC000358888824 416289223 /nfs/dbraw/zinc/28/92/23/416289223.db2.gz MTZVNKVJJCJYAJ-RYUDHWBXSA-N 0 0 313.398 0.045 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cocn2)C1 ZINC000191939442 416294008 /nfs/dbraw/zinc/29/40/08/416294008.db2.gz VZIBSBCUHYECST-GFCCVEGCSA-N 0 0 309.366 0.908 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NCCc1cn[nH]c1 ZINC000358911302 416294197 /nfs/dbraw/zinc/29/41/97/416294197.db2.gz ZZLLEAGBWIJHAE-UHFFFAOYSA-N 0 0 313.365 0.927 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Br)nn1C ZINC000192008712 416294540 /nfs/dbraw/zinc/29/45/40/416294540.db2.gz CDCGNNQQQOIPLI-ZETCQYMHSA-N 0 0 315.171 0.533 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192028551 416296197 /nfs/dbraw/zinc/29/61/97/416296197.db2.gz NZVLVJRFSIXHCG-PWSUYJOCSA-N 0 0 308.382 0.926 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358949042 416296878 /nfs/dbraw/zinc/29/68/78/416296878.db2.gz SQGAOIABNSLAEM-HNNXBMFYSA-N 0 0 319.405 0.906 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000192044565 416298579 /nfs/dbraw/zinc/29/85/79/416298579.db2.gz WOYCBJKFUAUXJT-JTQLQIEISA-N 0 0 319.365 0.093 10 0 DCAERN C[C@H]1CCS(=O)(=O)CCN1Cc1nsc(N(C)C)n1 ZINC000192088177 416298744 /nfs/dbraw/zinc/29/87/44/416298744.db2.gz DTYFHYFYPHESCK-VIFPVBQESA-N 0 0 304.441 0.613 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CCS1(=O)=O ZINC000246915783 416332346 /nfs/dbraw/zinc/33/23/46/416332346.db2.gz FGRJXHAJOLEMOR-YVECIDJPSA-N 0 0 316.423 0.773 10 0 DCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)N1CCOCC1 ZINC000359783779 416358236 /nfs/dbraw/zinc/35/82/36/416358236.db2.gz HGUVOSMMIHNRQX-RKDXNWHRSA-N 0 0 302.318 0.836 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H](C)C2)C1 ZINC000249298349 416334285 /nfs/dbraw/zinc/33/42/85/416334285.db2.gz KXJPDHDYGPBISA-RYUDHWBXSA-N 0 0 324.468 0.330 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000249704302 416334437 /nfs/dbraw/zinc/33/44/37/416334437.db2.gz LORAGNBZWFTKJC-JHJVBQTASA-N 0 0 318.439 0.826 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000249756331 416334451 /nfs/dbraw/zinc/33/44/51/416334451.db2.gz KPWSLQPNZSKVGS-MJBXVCDLSA-N 0 0 317.455 0.511 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C1CC1 ZINC000359343350 416342076 /nfs/dbraw/zinc/34/20/76/416342076.db2.gz MQNKELOZAIHPHA-NSHDSACASA-N 0 0 317.393 0.811 10 0 DCAERN COCCOC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000359341764 416342271 /nfs/dbraw/zinc/34/22/71/416342271.db2.gz FFWKLRLGNLEQDN-OLZOCXBDSA-N 0 0 308.378 0.973 10 0 DCAERN O=C(NCCc1nnc[nH]1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000359373307 416343969 /nfs/dbraw/zinc/34/39/69/416343969.db2.gz ORUPILSWRMXPHP-UHFFFAOYSA-N 0 0 315.333 0.427 10 0 DCAERN COc1cc(C)ccc1CNC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000359679739 416353140 /nfs/dbraw/zinc/35/31/40/416353140.db2.gz HMETUDMCKRIYPS-TZMCWYRMSA-N 0 0 320.389 0.849 10 0 DCAERN C[C@H](CO)S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000195051762 416325281 /nfs/dbraw/zinc/32/52/81/416325281.db2.gz YDXQCVKFRKFLSM-RKDXNWHRSA-N 0 0 317.329 0.583 10 0 DCAERN CCS(=O)(=O)N1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195123718 416325580 /nfs/dbraw/zinc/32/55/80/416325580.db2.gz DSDSFGQZTMDUSL-UHFFFAOYSA-N 0 0 313.427 0.160 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1COCCN1 ZINC000237902330 416329331 /nfs/dbraw/zinc/32/93/31/416329331.db2.gz HNKVUEQVJXIFRK-KBPBESRZSA-N 0 0 309.410 0.272 10 0 DCAERN O=C([C@H]1COCCN1)N1CCC(CN2CCCCC2=O)CC1 ZINC000238041665 416329799 /nfs/dbraw/zinc/32/97/99/416329799.db2.gz MGFHZHUCQDBTDX-CQSZACIVSA-N 0 0 309.410 0.226 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)n(C)c1 ZINC000416288287 416363427 /nfs/dbraw/zinc/36/34/27/416363427.db2.gz DAVHAMBWRJQZKF-VXGBXAGGSA-N 0 0 307.394 0.755 10 0 DCAERN C=Cc1ccc(CCNc2ccc(C(=O)NCCO)nn2)cc1 ZINC000359956033 416366361 /nfs/dbraw/zinc/36/63/61/416366361.db2.gz VXGHFWBJGYPCBI-UHFFFAOYSA-N 0 0 312.373 1.496 10 0 DCAERN CN1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O ZINC000360469312 416392104 /nfs/dbraw/zinc/39/21/04/416392104.db2.gz OJKPMVBDCBQXKS-UHFFFAOYSA-N 0 0 320.368 0.206 10 0 DCAERN Cc1nn(C)c(Cl)c1CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617471 416477583 /nfs/dbraw/zinc/47/75/83/416477583.db2.gz WOZHMDBHLRJDJU-ZDUSSCGKSA-N 0 0 310.789 0.984 10 0 DCAERN CC(C)(C)n1ncnc1CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617993 416479009 /nfs/dbraw/zinc/47/90/09/416479009.db2.gz QXBIFXLVVFXRMR-AWEZNQCLSA-N 0 0 305.386 0.635 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC(C)(C)COCC)C1 ZINC000458535682 416479039 /nfs/dbraw/zinc/47/90/39/416479039.db2.gz AZANJUQBNVEQIC-NSHDSACASA-N 0 0 300.403 0.905 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC[C@H](C)[S@](C)=O)[C@H](C)C1 ZINC000361371716 416432957 /nfs/dbraw/zinc/43/29/57/416432957.db2.gz IRGKVJVRQHETBS-NLQQUQSOSA-N 0 0 303.428 0.406 10 0 DCAERN O=C(CNC(=O)C1CC1)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000532673228 416447987 /nfs/dbraw/zinc/44/79/87/416447987.db2.gz ZGISJXAPEKIIMH-UHFFFAOYSA-N 0 0 300.322 0.255 10 0 DCAERN Cn1cc(C(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 ZINC000361918112 416522206 /nfs/dbraw/zinc/52/22/06/416522206.db2.gz DBWFJZDRDQDVOR-GFCCVEGCSA-N 0 0 315.329 0.949 10 0 DCAERN Cc1cc(C(=O)N=c2nc[nH]n2C)nn1-c1nc(C)cc(C)n1 ZINC000536541600 416543338 /nfs/dbraw/zinc/54/33/38/416543338.db2.gz MKTFZAIFUXOBJP-UHFFFAOYSA-N 0 0 312.337 0.390 10 0 DCAERN COC(=O)[C@](C)(NC[C@@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000536605960 416547006 /nfs/dbraw/zinc/54/70/06/416547006.db2.gz VDSOXJQLJXQAQN-UMVBOHGHSA-N 0 0 301.383 0.474 10 0 DCAERN COC(=O)CNC(=O)CNC(=O)CC/C=C\c1ccccc1 ZINC000534315926 416500064 /nfs/dbraw/zinc/50/00/64/416500064.db2.gz TYCWLDZPGXREOV-UITAMQMPSA-N 0 0 304.346 0.885 10 0 DCAERN COC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1CCCO1 ZINC000434869295 416501443 /nfs/dbraw/zinc/50/14/43/416501443.db2.gz OMWXYMFPXGCYBS-CIUDSAMLSA-N 0 0 300.277 0.403 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N(CCO)CCCO)c1 ZINC000435161944 416511632 /nfs/dbraw/zinc/51/16/32/416511632.db2.gz GWRPZFIYFMJRPL-UHFFFAOYSA-N 0 0 309.366 0.878 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000535023069 416514242 /nfs/dbraw/zinc/51/42/42/416514242.db2.gz LDPOOQJWTHBGGU-GJZGRUSLSA-N 0 0 321.425 0.863 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)c2cccn3c(=O)[nH]nc23)n[nH]1 ZINC000537750826 416561263 /nfs/dbraw/zinc/56/12/63/416561263.db2.gz BONBALZMTQEACF-MRVPVSSYSA-N 0 0 300.322 0.827 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCSC[C@@H]2CCO)CC1=O ZINC000459018566 416518753 /nfs/dbraw/zinc/51/87/53/416518753.db2.gz HORIWCMBUCRTRY-QWRGUYRKSA-N 0 0 301.412 0.117 10 0 DCAERN Cc1ccc(CC(=O)NC2(CS(C)(=O)=O)COC2)cc1C ZINC000585125217 416519378 /nfs/dbraw/zinc/51/93/78/416519378.db2.gz KRECDMJVQYKPKB-UHFFFAOYSA-N 0 0 311.403 0.776 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccncc1Br ZINC000599286396 416611159 /nfs/dbraw/zinc/61/11/59/416611159.db2.gz JFDAVYXCBZISGY-KOLCDFICSA-N 0 0 315.167 0.952 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccn2c(=O)[nH]nc12 ZINC000542819486 416631370 /nfs/dbraw/zinc/63/13/70/416631370.db2.gz GTGUHPMTJLWMNF-NSHDSACASA-N 0 0 318.333 0.991 10 0 DCAERN C[C@@H]1OCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H]1C ZINC000440378898 416631894 /nfs/dbraw/zinc/63/18/94/416631894.db2.gz HBDJWMHWNZNABY-UWVGGRQHSA-N 0 0 309.370 0.607 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1C[C@@H](F)C[C@H]1CO ZINC000366675831 416635476 /nfs/dbraw/zinc/63/54/76/416635476.db2.gz CNLPNQXIODTEPL-FIQHERPVSA-N 0 0 312.341 0.093 10 0 DCAERN C[C@H](CNC(=O)c1cccc2ncnn21)CN1CCOCC1 ZINC000542940201 416636028 /nfs/dbraw/zinc/63/60/28/416636028.db2.gz JSHDFUOXSRCEMM-GFCCVEGCSA-N 0 0 303.366 0.427 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(C)s2)[C@H](C)C1 ZINC000440578316 416639845 /nfs/dbraw/zinc/63/98/45/416639845.db2.gz MMCUVQHVTJAYAO-MRVPVSSYSA-N 0 0 310.379 0.469 10 0 DCAERN O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)Nc1cccnn1 ZINC000367232706 416643449 /nfs/dbraw/zinc/64/34/49/416643449.db2.gz UWNXHXNQRLXIRT-DGCLKSJQSA-N 0 0 306.366 1.166 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1F)NCCc1nnc[nH]1 ZINC000543726531 416646558 /nfs/dbraw/zinc/64/65/58/416646558.db2.gz ZHSDUYQLBYRYII-UHFFFAOYSA-N 0 0 302.306 0.745 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)N(C)[C@@H](C)C[S@@](C)=O)s1 ZINC000442019874 416684219 /nfs/dbraw/zinc/68/42/19/416684219.db2.gz DECLPGAWUCVDPF-SVWIBVJCSA-N 0 0 317.436 0.924 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)N2CCOCC[C@H]2C)CC1 ZINC000367764039 416653031 /nfs/dbraw/zinc/65/30/31/416653031.db2.gz TZCDEQIMJWJOMY-LLVKDONJSA-N 0 0 305.396 0.770 10 0 DCAERN O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cn3cccnc3n2)C1 ZINC000544876136 416662788 /nfs/dbraw/zinc/66/27/88/416662788.db2.gz URJOUVFPBRJVBF-NSHDSACASA-N 0 0 314.349 0.405 10 0 DCAERN O=C(N[C@@H](CCO)C1CCOCC1)c1cccc2ncnn21 ZINC000545186838 416666078 /nfs/dbraw/zinc/66/60/78/416666078.db2.gz BTLTZTOTTSUUEV-LBPRGKRZSA-N 0 0 304.350 0.637 10 0 DCAERN Cc1ncc(CNC(=O)NCc2ccc(C(N)=O)nc2)s1 ZINC000441262720 416667734 /nfs/dbraw/zinc/66/77/34/416667734.db2.gz YKJVQIMZLAJCIH-UHFFFAOYSA-N 0 0 305.363 0.945 10 0 DCAERN COCCCn1ccc(NC(=O)C(=O)N2CCC23CCC3)n1 ZINC000441522277 416674902 /nfs/dbraw/zinc/67/49/02/416674902.db2.gz QQHRYFKYLARRQM-UHFFFAOYSA-N 0 0 306.366 1.013 10 0 DCAERN O=C(Nc1ccc(-n2cncn2)nc1)C(=O)N1CCC12CCC2 ZINC000441525076 416675321 /nfs/dbraw/zinc/67/53/21/416675321.db2.gz OJVPGSOWIBCRKF-UHFFFAOYSA-N 0 0 312.333 0.756 10 0 DCAERN CC(=O)c1cnc(NC(=O)c2nc(N)nc(N(C)C)n2)s1 ZINC000557615678 416741824 /nfs/dbraw/zinc/74/18/24/416741824.db2.gz XADIZNPYFDQIIQ-UHFFFAOYSA-N 0 0 307.339 0.431 10 0 DCAERN Cc1noc(C)c1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442107781 416686193 /nfs/dbraw/zinc/68/61/93/416686193.db2.gz JCKMPSQNVGLLAT-SNVBAGLBSA-N 0 0 313.379 0.556 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H](O)C2)cn1 ZINC000442061572 416686418 /nfs/dbraw/zinc/68/64/18/416686418.db2.gz LHWFFFDGEFOGHS-YPMHNXCESA-N 0 0 320.393 0.753 10 0 DCAERN CN(C[C@H]1CNC(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751524 416689508 /nfs/dbraw/zinc/68/95/08/416689508.db2.gz SJTPXKDYSFUSPJ-WBVHZDCISA-N 0 0 319.405 0.664 10 0 DCAERN COc1cccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)c1 ZINC000442418569 416694679 /nfs/dbraw/zinc/69/46/79/416694679.db2.gz YYYNHNJSNWTFNX-UHFFFAOYSA-N 0 0 304.306 0.984 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)Nc1cccnc1Cl ZINC000368815997 416695029 /nfs/dbraw/zinc/69/50/29/416695029.db2.gz IGUOVNKBADGZEP-NSHDSACASA-N 0 0 310.785 0.690 10 0 DCAERN COC[C@H](NC(=O)Nc1ncn(C(C)(C)C)n1)[C@H]1CCCO1 ZINC000555800606 416712434 /nfs/dbraw/zinc/71/24/34/416712434.db2.gz RCVOEEIOMIYJNR-WDEREUQCSA-N 0 0 311.386 1.349 10 0 DCAERN O=C(CN1CCOCC1=O)NCCc1nc2ccccc2o1 ZINC000556909223 416720673 /nfs/dbraw/zinc/72/06/73/416720673.db2.gz WWFXEAKQFHQFJI-UHFFFAOYSA-N 0 0 303.318 0.345 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000516616723 416729169 /nfs/dbraw/zinc/72/91/69/416729169.db2.gz OHIFAZKAOUCWEQ-WCQYABFASA-N 0 0 303.318 0.552 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cn1 ZINC000443462430 416759799 /nfs/dbraw/zinc/75/97/99/416759799.db2.gz QKGRZASXGVXORQ-UHFFFAOYSA-N 0 0 314.301 0.663 10 0 DCAERN NC(=O)C[C@@H]1CCCCN1C(=O)CSc1nnnn1C1CC1 ZINC000623182684 416763614 /nfs/dbraw/zinc/76/36/14/416763614.db2.gz JHDCXCRLVPQSGI-JTQLQIEISA-N 0 0 324.410 0.357 10 0 DCAERN CN(Cc1cnccn1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000369404670 416767787 /nfs/dbraw/zinc/76/77/87/416767787.db2.gz SAUZSQGKLABSQJ-UHFFFAOYSA-N 0 0 317.349 0.300 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1Cc1cnc(-c2cnn(C)c2)nc1 ZINC000369391217 416769338 /nfs/dbraw/zinc/76/93/38/416769338.db2.gz KENKDFBTIGUAMV-AWEZNQCLSA-N 0 0 314.393 0.930 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@@H]1CCCO1 ZINC000623352533 416809406 /nfs/dbraw/zinc/80/94/06/416809406.db2.gz FLMNODNFBKDWLY-NSHDSACASA-N 0 0 313.398 0.091 10 0 DCAERN CNc1nnc(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)s1 ZINC000562057410 416862504 /nfs/dbraw/zinc/86/25/04/416862504.db2.gz CVQCFFMSVSBVOX-SSDOTTSWSA-N 0 0 323.344 0.875 10 0 DCAERN CCOC1CC(O)(CNC(=O)NCc2nnc3ccccn32)C1 ZINC000444891471 416876341 /nfs/dbraw/zinc/87/63/41/416876341.db2.gz WAMKUMPWMBJNNQ-UHFFFAOYSA-N 0 0 319.365 0.459 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000632054727 416887180 /nfs/dbraw/zinc/88/71/80/416887180.db2.gz GKKRBCWNWJJAJG-KKUMJFAQSA-N 0 0 322.405 0.984 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@H](F)C[C@H]3CO)cc12 ZINC000444274532 416826183 /nfs/dbraw/zinc/82/61/83/416826183.db2.gz CDYSFDDSQJULQR-BDAKNGLRSA-N 0 0 315.326 0.625 10 0 DCAERN Cc1noc(CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)n1 ZINC000369860370 416837458 /nfs/dbraw/zinc/83/74/58/416837458.db2.gz BXKQZUUBKKTVHZ-AWEZNQCLSA-N 0 0 310.354 0.858 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@]1(CCO)CCOC1 ZINC000447072660 416963729 /nfs/dbraw/zinc/96/37/29/416963729.db2.gz MPMNMFAPZJTQPU-BLLLJJGKSA-N 0 0 306.362 0.463 10 0 DCAERN Cc1nnc(N[C@H]2CCN(C(=O)COc3ccccc3)C2)o1 ZINC000370640320 416901437 /nfs/dbraw/zinc/90/14/37/416901437.db2.gz PVKGGDHWFSNYLF-LBPRGKRZSA-N 0 0 302.334 1.470 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446526303 416932168 /nfs/dbraw/zinc/93/21/68/416932168.db2.gz IIRYNUIBRZKTLA-SECBINFHSA-N 0 0 307.276 0.459 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnn(C)c1 ZINC000623993193 416934433 /nfs/dbraw/zinc/93/44/33/416934433.db2.gz LCZJNZPDYIZDBQ-UHFFFAOYSA-N 0 0 309.370 0.168 10 0 DCAERN COC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2F)nn1 ZINC000446695502 416940944 /nfs/dbraw/zinc/94/09/44/416940944.db2.gz YBQYQSJQSOZCCC-UHFFFAOYSA-N 0 0 308.269 0.851 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@@H]2CC2(C)C)C1 ZINC000447689128 417020108 /nfs/dbraw/zinc/02/01/08/417020108.db2.gz OHDCACVNNYMIMC-JHJVBQTASA-N 0 0 300.399 0.840 10 0 DCAERN CCCCNc1cc(N2CCN3CCOC[C@@H]3C2)nc(N)n1 ZINC000376431709 417030764 /nfs/dbraw/zinc/03/07/64/417030764.db2.gz AOBGVNUMIGRUJM-LBPRGKRZSA-N 0 0 306.414 0.792 10 0 DCAERN CC(C)(C)n1ncnc1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374306772 416978997 /nfs/dbraw/zinc/97/89/97/416978997.db2.gz AGZKREFXJYDGRU-LBPRGKRZSA-N 0 0 322.413 0.259 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOCC[C@H]1C ZINC000375004773 416994229 /nfs/dbraw/zinc/99/42/29/416994229.db2.gz LCUMADYFNSTLFK-SECBINFHSA-N 0 0 318.381 0.503 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCCC(C)(F)F ZINC000389662324 417099471 /nfs/dbraw/zinc/09/94/71/417099471.db2.gz JMSXKRZRYZRMLI-UHFFFAOYSA-N 0 0 302.343 0.751 10 0 DCAERN NC(=O)N[C@@H]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000447886466 417036759 /nfs/dbraw/zinc/03/67/59/417036759.db2.gz ROSNDWIMPVFTAW-LLVKDONJSA-N 0 0 315.370 0.342 10 0 DCAERN CS(=O)(=O)NC1CN(c2ncc(Br)cc2F)C1 ZINC000624547822 417058490 /nfs/dbraw/zinc/05/84/90/417058490.db2.gz YYCFOAVELSOLLO-UHFFFAOYSA-N 0 0 324.175 0.721 10 0 DCAERN CC(C)Cc1cc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448100588 417061720 /nfs/dbraw/zinc/06/17/20/417061720.db2.gz FTCOIKVINUTZNW-INIZCTEOSA-N 0 0 318.377 1.160 10 0 DCAERN CN(C(=O)[C@@]1(O)CCSC1)C1CCN(c2ncccn2)CC1 ZINC000378333879 417079261 /nfs/dbraw/zinc/07/92/61/417079261.db2.gz ZFLZZMYAPXONOC-OAHLLOKOSA-N 0 0 322.434 0.772 10 0 DCAERN CS[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616589589 417080225 /nfs/dbraw/zinc/08/02/25/417080225.db2.gz JOLBZRHXWOHZNS-HVWSPFAKSA-N 0 0 320.363 0.889 10 0 DCAERN CS(=O)(=O)N1CCOCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616597467 417082832 /nfs/dbraw/zinc/08/28/32/417082832.db2.gz IGXAJAIUIMEBFJ-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccnc3ccccc32)C1 ZINC000616592379 417083871 /nfs/dbraw/zinc/08/38/71/417083871.db2.gz DIBAMNNYLOWFFV-NSHDSACASA-N 0 0 307.375 0.854 10 0 DCAERN CCOC(=O)[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616593434 417084870 /nfs/dbraw/zinc/08/48/70/417084870.db2.gz KOYUFHJGCXEECP-GFCCVEGCSA-N 0 0 313.375 0.887 10 0 DCAERN CS(=O)(=O)[C@@H]1COCCN1S(=O)(=O)c1ccccc1 ZINC000616641997 417086532 /nfs/dbraw/zinc/08/65/32/417086532.db2.gz AZDYAYIXTUTBFR-LLVKDONJSA-N 0 0 305.377 0.078 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1ncccn1 ZINC000616640080 417088605 /nfs/dbraw/zinc/08/86/05/417088605.db2.gz VRUQEJFKKHCQKT-CYBMUJFWSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1ccc2ccnnc2c1 ZINC000616657426 417089164 /nfs/dbraw/zinc/08/91/64/417089164.db2.gz CAAGZAUWKJQMQF-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCN2)ccn1 ZINC000616654197 417090124 /nfs/dbraw/zinc/09/01/24/417090124.db2.gz NWWSYDJMOWTGGC-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN CC(=O)Nc1ccc([C@H]2CCN(S(N)(=O)=O)CCO2)cc1 ZINC000616665134 417090774 /nfs/dbraw/zinc/09/07/74/417090774.db2.gz NXRLVPWSIMTLAW-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1 ZINC000525261987 417132557 /nfs/dbraw/zinc/13/25/57/417132557.db2.gz PEVWKKDPJUIINO-LBPRGKRZSA-N 0 0 320.345 0.534 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1CO ZINC000408383155 287358518 /nfs/dbraw/zinc/35/85/18/287358518.db2.gz GVEHWWWYJNKGJU-PSASIEDQSA-N 0 0 307.803 0.855 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408080011 417141513 /nfs/dbraw/zinc/14/15/13/417141513.db2.gz ASORPLSUSJLQBY-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000408129916 417142794 /nfs/dbraw/zinc/14/27/94/417142794.db2.gz SKKKPUNJYYVTEN-UTLUCORTSA-N 0 0 307.316 0.735 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)nn2)[C@H](C)C1 ZINC000408046712 417136130 /nfs/dbraw/zinc/13/61/30/417136130.db2.gz CTNQCFZZQIMOEC-LLVKDONJSA-N 0 0 321.381 1.348 10 0 DCAERN CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000449444052 417144827 /nfs/dbraw/zinc/14/48/27/417144827.db2.gz XXBPNVHACLJMDE-CYBMUJFWSA-N 0 0 323.422 0.685 10 0 DCAERN c1ccc(-n2nnnc2CN2CCN(c3nccnn3)CC2)cc1 ZINC000625636353 417149155 /nfs/dbraw/zinc/14/91/55/417149155.db2.gz SFFIABHTDOPFOM-UHFFFAOYSA-N 0 0 323.364 0.170 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@@H](CO)C2CCOCC2)n1 ZINC000568560302 417151805 /nfs/dbraw/zinc/15/18/05/417151805.db2.gz SCRJDNBCHUSXQP-NSHDSACASA-N 0 0 311.386 0.942 10 0 DCAERN C[C@H](CNC(=O)c1cccc2ncnn21)N1CCCCC1=O ZINC000526015431 417173531 /nfs/dbraw/zinc/17/35/31/417173531.db2.gz WFGCXTBIGUGDNE-LLVKDONJSA-N 0 0 301.350 0.860 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000526022787 417174804 /nfs/dbraw/zinc/17/48/04/417174804.db2.gz XSHRLNOMEUKGQU-LLVKDONJSA-N 0 0 321.343 0.855 10 0 DCAERN C[C@H](CNC(=O)c1ccc2nnnn2c1)N1CCCCC1=O ZINC000527007583 417199656 /nfs/dbraw/zinc/19/96/56/417199656.db2.gz VSIZLRPIUNPECU-SNVBAGLBSA-N 0 0 302.338 0.255 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCO[C@@H](C(N)=O)C1)CC2 ZINC000527240620 417225537 /nfs/dbraw/zinc/22/55/37/417225537.db2.gz QELWEMLRTLYGJP-ZWNOBZJWSA-N 0 0 320.393 0.351 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000620724394 417267093 /nfs/dbraw/zinc/26/70/93/417267093.db2.gz LOHJJASKZYSHFQ-MRXNPFEDSA-N 0 0 313.405 0.956 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)c2cccc(F)c2)C1 ZINC000414217691 417267080 /nfs/dbraw/zinc/26/70/80/417267080.db2.gz CBHAVDCIJKXTCY-SNVBAGLBSA-N 0 0 321.395 0.881 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000632916220 417293101 /nfs/dbraw/zinc/29/31/01/417293101.db2.gz WKXDPTUTURGFEL-QLFBSQMISA-N 0 0 324.421 0.681 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCn3ccnc32)CCCO1 ZINC000569762424 417294446 /nfs/dbraw/zinc/29/44/46/417294446.db2.gz ODNXKEUFJMEHEL-QWHCGFSZSA-N 0 0 320.393 0.514 10 0 DCAERN C[C@H](O)CCN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581310 417238905 /nfs/dbraw/zinc/23/89/05/417238905.db2.gz DXBCICWFFKFBNP-QWHCGFSZSA-N 0 0 318.373 0.754 10 0 DCAERN Cc1ccc2nnc(CNc3ncnc4c3CN(C)CC4)n2c1 ZINC000643611392 417256299 /nfs/dbraw/zinc/25/62/99/417256299.db2.gz NECAXQDQSQREQL-UHFFFAOYSA-N 0 0 309.377 1.428 10 0 DCAERN COc1cc(C(N)=O)ccc1NS(=O)(=O)N1CCC[C@H]1C ZINC000451114186 417299480 /nfs/dbraw/zinc/29/94/80/417299480.db2.gz KCMLDAQDPJIEAP-SECBINFHSA-N 0 0 313.379 0.935 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000643718784 417317069 /nfs/dbraw/zinc/31/70/69/417317069.db2.gz HFDPNCFGJSHRSY-ZJUUUORDSA-N 0 0 311.367 0.294 10 0 DCAERN O=S(=O)(CC1CC(F)(F)C1)N1CCN2CCOC[C@@H]2C1 ZINC000451400162 417340978 /nfs/dbraw/zinc/34/09/78/417340978.db2.gz YEMZADRDOXCOMW-NSHDSACASA-N 0 0 310.366 0.378 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000633328321 417412428 /nfs/dbraw/zinc/41/24/28/417412428.db2.gz NHWRBLBQOJVTDQ-ZFWWWQNUSA-N 0 0 317.345 0.861 10 0 DCAERN O=C(NCCOCC1CCC1)NCCS(=O)(=O)NC1CC1 ZINC000571135248 417428012 /nfs/dbraw/zinc/42/80/12/417428012.db2.gz CKNFPXLYKWLOFV-UHFFFAOYSA-N 0 0 319.427 0.184 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CCC(C)C)CC12COC2 ZINC000451621017 417365149 /nfs/dbraw/zinc/36/51/49/417365149.db2.gz TVHNTZHFTXVQOF-GFCCVEGCSA-N 0 0 319.423 0.874 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2(O)CCCCC2)CC12COC2 ZINC000452614327 417492340 /nfs/dbraw/zinc/49/23/40/417492340.db2.gz PKDMBRMBSWJDIT-GFCCVEGCSA-N 0 0 311.378 0.720 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2(O)CCCCC2)CC12COC2 ZINC000452614328 417493006 /nfs/dbraw/zinc/49/30/06/417493006.db2.gz PKDMBRMBSWJDIT-LBPRGKRZSA-N 0 0 311.378 0.720 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000633840911 417493478 /nfs/dbraw/zinc/49/34/78/417493478.db2.gz GKHZHXZETHGHDC-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452058972 417437613 /nfs/dbraw/zinc/43/76/13/417437613.db2.gz NYJHDAZYBYLVFP-RYUDHWBXSA-N 0 0 318.443 0.451 10 0 DCAERN NC(=O)N[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1ccccc1 ZINC000574951450 417497145 /nfs/dbraw/zinc/49/71/45/417497145.db2.gz WRJHWSJIXAGOBC-JTQLQIEISA-N 0 0 315.337 0.105 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2(COC)CCC2)CC12COC2 ZINC000452226190 417460724 /nfs/dbraw/zinc/46/07/24/417460724.db2.gz RMFDNRJZQITQEH-GFCCVEGCSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2C)CC12COC2 ZINC000452262140 417462868 /nfs/dbraw/zinc/46/28/68/417462868.db2.gz MFTDANQEISHQCO-LBPRGKRZSA-N 0 0 320.345 0.747 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CC12COC2 ZINC000452267493 417464523 /nfs/dbraw/zinc/46/45/23/417464523.db2.gz VOCGRWXMSPRLAB-OLZOCXBDSA-N 0 0 311.378 0.984 10 0 DCAERN Cn1ncc2c1nc(N[C@@H]1CCN(CC(F)(F)F)C1)[nH]c2=O ZINC000573941484 417476387 /nfs/dbraw/zinc/47/63/87/417476387.db2.gz TUXLLBLBJWHLNW-SSDOTTSWSA-N 0 0 316.287 1.117 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000633700776 417483279 /nfs/dbraw/zinc/48/32/79/417483279.db2.gz AKBWZYGDDZKWRH-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)c1nccc(N[C@@H]2CCCOC2)n1 ZINC000574344319 417484966 /nfs/dbraw/zinc/48/49/66/417484966.db2.gz UFSXWLMZXMOLLR-JWCBKOKGSA-N 0 0 312.439 1.271 10 0 DCAERN CO[C@@H]1C[C@@H](NC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H](CO)O1 ZINC000575415996 417534263 /nfs/dbraw/zinc/53/42/63/417534263.db2.gz MXBHVTZBVDMMDC-QPSCCSFWSA-N 0 0 323.345 0.470 10 0 DCAERN Cc1nnc(COC2CN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)o1 ZINC000644212500 417498600 /nfs/dbraw/zinc/49/86/00/417498600.db2.gz JKKXXCKIZPIIQD-NSHDSACASA-N 0 0 317.349 0.949 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000633869097 417500741 /nfs/dbraw/zinc/50/07/41/417500741.db2.gz PFJHPSYSTCFPJG-JHJVBQTASA-N 0 0 306.362 1.000 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000529770858 417502364 /nfs/dbraw/zinc/50/23/64/417502364.db2.gz PKIAFZLMWYEBMI-GJZGRUSLSA-N 0 0 306.362 0.939 10 0 DCAERN CC(=O)c1ccc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)o1 ZINC000633880080 417506796 /nfs/dbraw/zinc/50/67/96/417506796.db2.gz CVFZLNVZYJABPE-HUUCEWRRSA-N 0 0 304.302 0.607 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1C ZINC000627833283 417512725 /nfs/dbraw/zinc/51/27/25/417512725.db2.gz ILPZXZHUCVMSMF-UMSPYCQHSA-N 0 0 317.345 0.516 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2COCCN2C)c1 ZINC000627864195 417518162 /nfs/dbraw/zinc/51/81/62/417518162.db2.gz KLXHMNVDYYQEQO-AWEZNQCLSA-N 0 0 319.361 0.275 10 0 DCAERN CN(C(=O)Cn1c2ccccc2c(=O)[nH]c1=O)C1CCOCC1 ZINC000530827778 417591896 /nfs/dbraw/zinc/59/18/96/417591896.db2.gz JJUQASMIGUMOGU-UHFFFAOYSA-N 0 0 317.345 0.740 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cnns2)CC12COC2 ZINC000455236515 417598564 /nfs/dbraw/zinc/59/85/64/417598564.db2.gz NWAVRSXSWWXPPZ-MRVPVSSYSA-N 0 0 312.351 0.582 10 0 DCAERN Cc1cc(CC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)[nH]n1 ZINC000531028640 417602885 /nfs/dbraw/zinc/60/28/85/417602885.db2.gz XIRGUBHFVMKCHB-UHFFFAOYSA-N 0 0 303.370 0.032 10 0 DCAERN CCN1C[C@H](NC(=O)NCc2ccc3cc[nH]c3n2)CC1=O ZINC000455407565 417603355 /nfs/dbraw/zinc/60/33/55/417603355.db2.gz MBQZIZKQOKVYCU-GFCCVEGCSA-N 0 0 301.350 0.983 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2)C1 ZINC000531097391 417606680 /nfs/dbraw/zinc/60/66/80/417606680.db2.gz IPCMPBFPZCRIJR-JTQLQIEISA-N 0 0 302.334 0.994 10 0 DCAERN Cn1cc(O[C@@H]2CN(Cc3cccc4c3OCO4)C[C@H]2O)cn1 ZINC000628376528 417610775 /nfs/dbraw/zinc/61/07/75/417610775.db2.gz ZJNARUCQCZSJDI-UKRRQHHQSA-N 0 0 317.345 0.773 10 0 DCAERN C[C@@H](CNC(=O)[C@H](C)N1C(=O)CCC1=O)N1CCCCC1=O ZINC000530294423 417562913 /nfs/dbraw/zinc/56/29/13/417562913.db2.gz ONTGLGIBJWNHPO-QWRGUYRKSA-N 0 0 309.366 0.041 10 0 DCAERN CC[C@@](C)(O)CN1CCN(S(=O)(=O)CCCOC)CC1 ZINC000161659732 287393873 /nfs/dbraw/zinc/39/38/73/287393873.db2.gz OJBFBWOEKUIKBF-CYBMUJFWSA-N 0 0 308.444 0.131 10 0 DCAERN O=C([C@@H]1COC[C@H]1c1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000628521218 417627978 /nfs/dbraw/zinc/62/79/78/417627978.db2.gz NSAGVSYTYUWRJW-YHUYYLMFSA-N 0 0 305.374 0.476 10 0 DCAERN O[C@@H]1CN(Cc2ccc(Br)cn2)C[C@H]1n1ccnn1 ZINC000628504827 417628626 /nfs/dbraw/zinc/62/86/26/417628626.db2.gz PJCBLLNWRASLQR-VXGBXAGGSA-N 0 0 324.182 0.853 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NCc3cc[nH]n3)no2)CCCC1 ZINC000578829638 417687406 /nfs/dbraw/zinc/68/74/06/417687406.db2.gz QPKAQTSUFZCFNU-UHFFFAOYSA-N 0 0 317.349 1.484 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000532165088 417665284 /nfs/dbraw/zinc/66/52/84/417665284.db2.gz XESQCQHZRMYSKM-JOYOIKCWSA-N 0 0 316.404 0.507 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000629223401 417760163 /nfs/dbraw/zinc/76/01/63/417760163.db2.gz WRLUTUUZHIAZJN-CABCVRRESA-N 0 0 301.346 0.811 10 0 DCAERN C[C@H](CCCc1cccnc1)NC(=O)CN1CCOCC1=O ZINC000457922435 417708144 /nfs/dbraw/zinc/70/81/44/417708144.db2.gz HBKIDPAADPSXHE-CYBMUJFWSA-N 0 0 305.378 0.768 10 0 DCAERN O=C(Cc1c(F)cccc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458120270 417722817 /nfs/dbraw/zinc/72/28/17/417722817.db2.gz DRARZVLWEIKLDU-VIFPVBQESA-N 0 0 312.732 0.790 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cs1 ZINC000629141428 417747517 /nfs/dbraw/zinc/74/75/17/417747517.db2.gz VANAPFOWVHKKQM-UWVGGRQHSA-N 0 0 316.404 0.693 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)n(C)n1 ZINC000173934931 545884232 /nfs/dbraw/zinc/88/42/32/545884232.db2.gz WCZKLIUBCRZDHD-ZDUSSCGKSA-N 0 0 307.398 0.074 10 0 DCAERN Cc1nn(CC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(=O)o1 ZINC000639962047 417770988 /nfs/dbraw/zinc/77/09/88/417770988.db2.gz GBYXTPARPTYHQB-GFCCVEGCSA-N 0 0 304.306 0.220 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Nc2cnnn2-c2ccccc2)C1 ZINC000640306738 417813833 /nfs/dbraw/zinc/81/38/33/417813833.db2.gz PYLAKVJXGLHCCP-QWHCGFSZSA-N 0 0 317.349 0.881 10 0 DCAERN CC(=O)c1ccc(NC(=O)N[C@H](CO)CN2CCOCC2)cc1 ZINC000631473354 417887129 /nfs/dbraw/zinc/88/71/29/417887129.db2.gz XDTCSEDWCPEXKY-HNNXBMFYSA-N 0 0 321.377 0.704 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000664270745 418107634 /nfs/dbraw/zinc/10/76/34/418107634.db2.gz SYFMDSQLFSRXNY-RNFRBKRXSA-N 0 0 311.285 0.719 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccncc1Br ZINC000664269045 418107824 /nfs/dbraw/zinc/10/78/24/418107824.db2.gz NWUKNIOZHCJDJR-ZJUUUORDSA-N 0 0 321.196 0.490 10 0 DCAERN C/C=C\C[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)OCC ZINC000450908895 287453117 /nfs/dbraw/zinc/45/31/17/287453117.db2.gz IBNMYCCMEQMIEI-USEMIUTHSA-N 0 0 303.380 0.578 10 0 DCAERN CCc1noc(C)c1NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000178844363 545896663 /nfs/dbraw/zinc/89/66/63/545896663.db2.gz PANVCBDZYKUMHM-SNVBAGLBSA-N 0 0 301.368 0.908 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C ZINC000179589832 545898712 /nfs/dbraw/zinc/89/87/12/545898712.db2.gz QSDQPCMVQXVLRT-SNVBAGLBSA-N 0 0 310.354 0.371 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000488131986 287546459 /nfs/dbraw/zinc/54/64/59/287546459.db2.gz HFMIMLZVPAHPSS-NXEZZACHSA-N 0 0 324.381 0.223 10 0 DCAERN Cc1cc(NCCNc2cn[nH]c(=O)c2Cl)n2ncnc2n1 ZINC000301523648 229721219 /nfs/dbraw/zinc/72/12/19/229721219.db2.gz GSXDDVIHCJDSPX-UHFFFAOYSA-N 0 0 320.744 0.693 10 0 DCAERN Cn1cc([C@@]2(C)CN(c3ccncc3C(N)=O)CCO2)cn1 ZINC000302014633 230034225 /nfs/dbraw/zinc/03/42/25/230034225.db2.gz FBZLXNJSKKFAAF-OAHLLOKOSA-N 0 0 301.350 0.666 10 0 DCAERN CCS(=O)(=O)N1CCN(c2nccn(C3CC3)c2=O)CC1 ZINC000302020803 230041386 /nfs/dbraw/zinc/04/13/86/230041386.db2.gz FFBWZTOIMIWEJE-UHFFFAOYSA-N 0 0 312.395 0.050 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000029724036 261104917 /nfs/dbraw/zinc/10/49/17/261104917.db2.gz HUHPDWCEYFMYMR-UHFFFAOYSA-N 0 0 306.366 0.240 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCCOC1CCOCC1 ZINC000187210454 261122647 /nfs/dbraw/zinc/12/26/47/261122647.db2.gz OSMHLKJJFZXZBC-UHFFFAOYSA-N 0 0 300.399 0.986 10 0 DCAERN CC(C)[C@H](C(=O)NCc1cc(C(N)=O)co1)N1CCCC1=O ZINC000187879438 261124686 /nfs/dbraw/zinc/12/46/86/261124686.db2.gz CAXQJDBSJMZIRO-CYBMUJFWSA-N 0 0 307.350 0.642 10 0 DCAERN NC(=O)c1coc(CNS(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000188244860 261125830 /nfs/dbraw/zinc/12/58/30/261125830.db2.gz RFHFNMVXYMCCAA-JTQLQIEISA-N 0 0 302.352 0.367 10 0 DCAERN NC(=O)c1coc(CNS(=O)(=O)N2CCCCCC2)c1 ZINC000188249500 261126267 /nfs/dbraw/zinc/12/62/67/261126267.db2.gz MTKWIMXFFZZNDB-UHFFFAOYSA-N 0 0 301.368 0.589 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)c1cn2ccnc2s1 ZINC000188465744 261127582 /nfs/dbraw/zinc/12/75/82/261127582.db2.gz GETLBXDWRHZRSO-UHFFFAOYSA-N 0 0 307.335 0.068 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190456417 261134258 /nfs/dbraw/zinc/13/42/58/261134258.db2.gz UXENIUCGZZSNFA-HNNXBMFYSA-N 0 0 303.362 0.601 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)n1 ZINC000192999315 261140755 /nfs/dbraw/zinc/14/07/55/261140755.db2.gz KAAZPZUZCAKMEK-UHFFFAOYSA-N 0 0 306.366 0.702 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000194242892 261146025 /nfs/dbraw/zinc/14/60/25/261146025.db2.gz LHUCMWANQGAQLC-KWQFWETISA-N 0 0 317.349 0.231 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000194577626 261146442 /nfs/dbraw/zinc/14/64/42/261146442.db2.gz URJUAZBFAVTBKV-UHFFFAOYSA-N 0 0 318.377 0.725 10 0 DCAERN COc1cccc(CNC(=O)N[C@H](C)CN2CCOCC2)n1 ZINC000194649296 261147968 /nfs/dbraw/zinc/14/79/68/261147968.db2.gz KSVIYPPKAPVCHJ-GFCCVEGCSA-N 0 0 308.382 0.610 10 0 DCAERN O=C(c1cccc(F)c1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194795977 261148719 /nfs/dbraw/zinc/14/87/19/261148719.db2.gz UDZATFMFVLNJMN-GFCCVEGCSA-N 0 0 319.336 0.246 10 0 DCAERN CC(C)CCOCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000195236287 261151600 /nfs/dbraw/zinc/15/16/00/261151600.db2.gz FDYPSAPVDORMQU-CHWSQXEVSA-N 0 0 308.444 0.993 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC1(C)CCOCC1 ZINC000234610675 261154983 /nfs/dbraw/zinc/15/49/83/261154983.db2.gz JSVGCFLFFMACLR-WDEREUQCSA-N 0 0 305.396 0.817 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000234609565 261155113 /nfs/dbraw/zinc/15/51/13/261155113.db2.gz RWINOWUCXIYQMB-QWHCGFSZSA-N 0 0 316.423 0.438 10 0 DCAERN O=C(NCCc1ccc[nH]1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276360024 261170906 /nfs/dbraw/zinc/17/09/06/261170906.db2.gz MBOPPTMXUOSKFW-UHFFFAOYSA-N 0 0 313.361 0.318 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)s1 ZINC000354725331 261264271 /nfs/dbraw/zinc/26/42/71/261264271.db2.gz HUABUPWDADAIEV-XCBNKYQSSA-N 0 0 311.363 0.560 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000355716795 261359955 /nfs/dbraw/zinc/35/99/55/261359955.db2.gz SBILNQGYGPWRTB-UJPOAAIJSA-N 0 0 310.394 0.552 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000355716790 261360324 /nfs/dbraw/zinc/36/03/24/261360324.db2.gz SBILNQGYGPWRTB-LBELIVKGSA-N 0 0 310.394 0.552 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](O)C(F)F)CC2 ZINC000357142409 261508093 /nfs/dbraw/zinc/50/80/93/261508093.db2.gz OJUMPXJZNFAGDA-BDAKNGLRSA-N 0 0 317.340 0.642 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CCCO)C1 ZINC000357880158 261596302 /nfs/dbraw/zinc/59/63/02/261596302.db2.gz OJNJBHFWNNBHRR-NEPJUHHUSA-N 0 0 300.399 0.585 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NC[C@H](CO)C1CC1 ZINC000359817044 261771745 /nfs/dbraw/zinc/77/17/45/261771745.db2.gz CTAPAUZMRCUPII-GFCCVEGCSA-N 0 0 306.362 0.560 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000360738038 261868445 /nfs/dbraw/zinc/86/84/45/261868445.db2.gz KMBMOMPDGWXZJQ-RYUDHWBXSA-N 0 0 305.382 0.563 10 0 DCAERN C[C@@H]1C[C@H](CCNC(=O)C(=O)N(C)Cc2cnccn2)CCO1 ZINC000360912686 261887718 /nfs/dbraw/zinc/88/77/18/261887718.db2.gz DCGOMHIPCUGONE-CHWSQXEVSA-N 0 0 320.393 0.756 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCOCC[C@@H]1C ZINC000362234710 262013306 /nfs/dbraw/zinc/01/33/06/262013306.db2.gz IPLZXCKGFCPPHH-STQMWFEESA-N 0 0 300.399 0.801 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C)C2)no1 ZINC000362312392 262021788 /nfs/dbraw/zinc/02/17/88/262021788.db2.gz IVRNOQDHXZKXSA-QMMMGPOBSA-N 0 0 309.322 0.291 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1 ZINC000362465323 262038733 /nfs/dbraw/zinc/03/87/33/262038733.db2.gz NFMDZEOTMQXJKE-NWDGAFQWSA-N 0 0 321.377 0.942 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1 ZINC000362465321 262039032 /nfs/dbraw/zinc/03/90/32/262039032.db2.gz NFMDZEOTMQXJKE-NEPJUHHUSA-N 0 0 321.377 0.942 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(OCC)ncn1 ZINC000362665707 262058346 /nfs/dbraw/zinc/05/83/46/262058346.db2.gz PCWQRERSDGWJHS-VHSXEESVSA-N 0 0 310.354 0.744 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000362676050 262060308 /nfs/dbraw/zinc/06/03/08/262060308.db2.gz XLEMBJDEVQYDEB-GXFFZTMASA-N 0 0 304.346 0.873 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC(C)(C)OC[C@H]2C)C1 ZINC000362837148 262079025 /nfs/dbraw/zinc/07/90/25/262079025.db2.gz ANMANZSEDGGCAO-NEPJUHHUSA-N 0 0 312.414 0.999 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c[nH]1 ZINC000362898046 262085405 /nfs/dbraw/zinc/08/54/05/262085405.db2.gz DOHLGYIEYSVUET-LLVKDONJSA-N 0 0 322.346 0.160 10 0 DCAERN COC(=O)CNC(=O)CN1CCC(c2nccc(C)n2)CC1 ZINC000363805059 262131373 /nfs/dbraw/zinc/13/13/73/262131373.db2.gz XCNBKDUDBUNKPS-UHFFFAOYSA-N 0 0 306.366 0.254 10 0 DCAERN Cc1c(-c2cc(CN3CCN4CCOC[C@H]4C3)on2)cnn1C ZINC000363823811 262133302 /nfs/dbraw/zinc/13/33/02/262133302.db2.gz QBRZLIFZYZAYHJ-CYBMUJFWSA-N 0 0 317.393 0.900 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000363846919 262134149 /nfs/dbraw/zinc/13/41/49/262134149.db2.gz CRGKXOWEEVRPMR-CYBMUJFWSA-N 0 0 322.434 0.729 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1F ZINC000363860075 262134929 /nfs/dbraw/zinc/13/49/29/262134929.db2.gz UEQLZDBAYCODRH-LLVKDONJSA-N 0 0 322.340 0.473 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000363923558 262136883 /nfs/dbraw/zinc/13/68/83/262136883.db2.gz BOQOALUVCSTBOF-VXGBXAGGSA-N 0 0 320.411 0.227 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000363995679 262139651 /nfs/dbraw/zinc/13/96/51/262139651.db2.gz HSABBMGFJIUQGY-CYBMUJFWSA-N 0 0 314.382 0.839 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)c2ccc(C)c(C(N)=O)c2)no1 ZINC000358522763 271055006 /nfs/dbraw/zinc/05/50/06/271055006.db2.gz KTWBHMXWXNHSDY-UHFFFAOYSA-N 0 0 324.362 0.606 10 0 DCAERN CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C ZINC000358663325 271064875 /nfs/dbraw/zinc/06/48/75/271064875.db2.gz KCIAFCAESATIAL-ZJUUUORDSA-N 0 0 317.415 0.133 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCCn2cccn2)no1 ZINC000358779386 271071169 /nfs/dbraw/zinc/07/11/69/271071169.db2.gz ASHDZMXWGYRHTQ-JTQLQIEISA-N 0 0 308.342 0.863 10 0 DCAERN CN(C)c1noc(CNC(=O)NC[C@H](CO)c2ccccc2)n1 ZINC000359002493 271087057 /nfs/dbraw/zinc/08/70/57/271087057.db2.gz ROYZCXJVUJNPSS-GFCCVEGCSA-N 0 0 319.365 0.711 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCO[C@@H](C)[C@H]2C)n1 ZINC000359217004 271103833 /nfs/dbraw/zinc/10/38/33/271103833.db2.gz AJXVRYKKDDRNPC-NEPJUHHUSA-N 0 0 321.377 0.385 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)C1 ZINC000359220894 271106133 /nfs/dbraw/zinc/10/61/33/271106133.db2.gz OBGFGEOFQMVHGM-RYUDHWBXSA-N 0 0 314.430 0.885 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCCN(CCO)CC2)s1 ZINC000359232830 271109096 /nfs/dbraw/zinc/10/90/96/271109096.db2.gz PVKUUQFAIHIIJZ-UHFFFAOYSA-N 0 0 319.452 0.394 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NC[C@H](CO)C2CC2)CCCC1 ZINC000359560634 271126649 /nfs/dbraw/zinc/12/66/49/271126649.db2.gz MHQXFWZIFJUMHF-GFCCVEGCSA-N 0 0 318.439 0.662 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000359608856 271130323 /nfs/dbraw/zinc/13/03/23/271130323.db2.gz JJDPRGZFLABROC-NHYWBVRUSA-N 0 0 309.366 0.248 10 0 DCAERN NC(=O)N[C@H](CC(=O)NC[C@@H](CO)C1CC1)c1cccs1 ZINC000359772349 271142554 /nfs/dbraw/zinc/14/25/54/271142554.db2.gz FQYGRXNNEMCQAA-WDEREUQCSA-N 0 0 311.407 0.982 10 0 DCAERN C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000398790400 271218484 /nfs/dbraw/zinc/21/84/84/271218484.db2.gz RQEYILOEKKTDCF-IUCAKERBSA-N 0 0 307.803 0.713 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398854572 271218782 /nfs/dbraw/zinc/21/87/82/271218782.db2.gz VAMCFQWBTGMPBM-SDDRHHMPSA-N 0 0 305.396 0.362 10 0 DCAERN CCOC(=O)CN(Cc1cn(CC(=O)OC)nn1)C1CCC1 ZINC000449253448 271845289 /nfs/dbraw/zinc/84/52/89/271845289.db2.gz VIHJMLBBNHRMAY-UHFFFAOYSA-N 0 0 310.354 0.369 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CC12COC2 ZINC000452226359 271911507 /nfs/dbraw/zinc/91/15/07/271911507.db2.gz JUNITPGAYZRGIV-LLVKDONJSA-N 0 0 319.361 0.550 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2coc(CC)n2)CC12COC2 ZINC000452262137 271912444 /nfs/dbraw/zinc/91/24/44/271912444.db2.gz MFTBLIKZUXLFLJ-JTQLQIEISA-N 0 0 308.334 0.889 10 0 DCAERN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458123876 271943178 /nfs/dbraw/zinc/94/31/78/271943178.db2.gz AEBACCFIRUUVHO-PWSUYJOCSA-N 0 0 308.313 0.362 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C1=Cc2cc(F)ccc2OC1 ZINC000458134922 271943361 /nfs/dbraw/zinc/94/33/61/271943361.db2.gz JSWVYMPPBWDDMT-CYBMUJFWSA-N 0 0 318.308 0.370 10 0 DCAERN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458144055 271944641 /nfs/dbraw/zinc/94/46/41/271944641.db2.gz PTMNGLXAYWWXFQ-CMPLNLGQSA-N 0 0 308.313 0.362 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)NC[C@@H](CO)c1ccccc1 ZINC000459111673 271986197 /nfs/dbraw/zinc/98/61/97/271986197.db2.gz CWSKHLQQRBLEBP-RRFJBIMHSA-N 0 0 308.378 0.866 10 0 DCAERN C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000460021666 272024779 /nfs/dbraw/zinc/02/47/79/272024779.db2.gz OMCWTZJMRFXZKR-JOYOIKCWSA-N 0 0 324.299 0.150 10 0 DCAERN COCCOCCN(C)C(=O)C(=O)N1CCC[C@@H](C)CC1 ZINC000460081501 272026095 /nfs/dbraw/zinc/02/60/95/272026095.db2.gz YDPXNIWVVAAAKQ-CYBMUJFWSA-N 0 0 300.399 0.756 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)CSCC(=O)N[C@H](C)[C@H](C)OC ZINC000461268235 272026226 /nfs/dbraw/zinc/02/62/26/272026226.db2.gz AQFUQHNFVBZMDD-KKOKHZNYSA-N 0 0 320.455 0.799 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000463819120 272027105 /nfs/dbraw/zinc/02/71/05/272027105.db2.gz QWBLEPAAMUSZPJ-UMNHJUIQSA-N 0 0 304.412 0.277 10 0 DCAERN COc1ncc(NC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1C(N)=O ZINC000471936095 272033753 /nfs/dbraw/zinc/03/37/53/272033753.db2.gz WZXMFJJUPVTMPY-PSASIEDQSA-N 0 0 308.338 0.878 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCCN2CCOC[C@@H]2C)[nH]n1 ZINC000487548336 272041505 /nfs/dbraw/zinc/04/15/05/272041505.db2.gz KFLPWGKKRPHSOO-AAEUAGOBSA-N 0 0 309.414 0.669 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N(CCO)CCCO)cc21 ZINC000489086168 272056292 /nfs/dbraw/zinc/05/62/92/272056292.db2.gz CDYBYTDKFHWPFJ-UHFFFAOYSA-N 0 0 319.361 0.747 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489475951 272062499 /nfs/dbraw/zinc/06/24/99/272062499.db2.gz KIUOFVOFUYNZBM-GFCCVEGCSA-N 0 0 305.382 0.978 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2ccccn2)CC1 ZINC000490826345 272082827 /nfs/dbraw/zinc/08/28/27/272082827.db2.gz QHNILKRAXAPCKI-UHFFFAOYSA-N 0 0 320.393 0.860 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C ZINC000492315488 272122542 /nfs/dbraw/zinc/12/25/42/272122542.db2.gz XNVRAFHMYWBBLV-DTWKUNHWSA-N 0 0 304.334 0.961 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C\SCc2ccco2)C1 ZINC000492664780 272140643 /nfs/dbraw/zinc/14/06/43/272140643.db2.gz XLZUQEAVWVRIIG-XQRVVYSFSA-N 0 0 310.375 1.000 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000494418298 272221634 /nfs/dbraw/zinc/22/16/34/272221634.db2.gz ZDIMDGBUVALOCQ-ZDUSSCGKSA-N 0 0 313.442 0.716 10 0 DCAERN CCCCNC(=O)[C@@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494415804 272221723 /nfs/dbraw/zinc/22/17/23/272221723.db2.gz RZGYBEDVNJNANV-CYBMUJFWSA-N 0 0 313.442 0.860 10 0 DCAERN COc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1CO ZINC000494780034 272231408 /nfs/dbraw/zinc/23/14/08/272231408.db2.gz OLFPIOTXOMKGEP-UHFFFAOYSA-N 0 0 322.361 0.765 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccoc1 ZINC000495161721 272240208 /nfs/dbraw/zinc/24/02/08/272240208.db2.gz YBRBXCLPDOWSLE-VHSXEESVSA-N 0 0 311.338 0.535 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000529624992 272699834 /nfs/dbraw/zinc/69/98/34/272699834.db2.gz VUIAHHXHNONTHL-JTQLQIEISA-N 0 0 304.272 0.581 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)[C@@H]3CCCO3)ccc21 ZINC000529763322 272707807 /nfs/dbraw/zinc/70/78/07/272707807.db2.gz IJFGFWUCJHZDPU-CVEARBPZSA-N 0 0 318.373 0.865 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)C1 ZINC000531609708 272765600 /nfs/dbraw/zinc/76/56/00/272765600.db2.gz WHQCZJUUODYAKZ-QMMMGPOBSA-N 0 0 315.324 0.891 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCF)c1 ZINC000531763388 272769080 /nfs/dbraw/zinc/76/90/80/272769080.db2.gz UGTCIWZLONKNLV-UHFFFAOYSA-N 0 0 317.342 0.009 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)c2ccccc2)C1 ZINC000533187087 272802552 /nfs/dbraw/zinc/80/25/52/272802552.db2.gz FVVOEMKWGZQLMN-KBPBESRZSA-N 0 0 305.378 0.669 10 0 DCAERN CC(=O)CSCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000531381124 287776301 /nfs/dbraw/zinc/77/63/01/287776301.db2.gz OVHMYVXSPRYTPJ-GFCCVEGCSA-N 0 0 321.464 0.980 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000531557891 287781428 /nfs/dbraw/zinc/78/14/28/287781428.db2.gz BFENLRMILQUEDU-UHFFFAOYSA-N 0 0 316.365 0.319 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](CO)c1ccccc1)S(C)(=O)=O ZINC000533640931 287799442 /nfs/dbraw/zinc/79/94/42/287799442.db2.gz HWVXPBPKERMBJE-AAEUAGOBSA-N 0 0 314.407 0.495 10 0 DCAERN COc1ccc(NC(=O)[C@H](C)N2C(=O)CCC2=O)cc1CO ZINC000534259029 287807156 /nfs/dbraw/zinc/80/71/56/287807156.db2.gz GDDDREPDWJDGLF-VIFPVBQESA-N 0 0 306.318 0.664 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC000408355635 275464099 /nfs/dbraw/zinc/46/40/99/275464099.db2.gz TTWJUTGMLQWDCK-CABCVRRESA-N 0 0 315.373 0.294 10 0 DCAERN CC1(C)SC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000294766206 275884382 /nfs/dbraw/zinc/88/43/82/275884382.db2.gz SMMCFBIKMJZWKW-LLVKDONJSA-N 0 0 319.386 0.992 10 0 DCAERN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cn2cccnc2n1 ZINC000538699991 287882948 /nfs/dbraw/zinc/88/29/48/287882948.db2.gz ZTPXDRIJWLFTPW-CMPLNLGQSA-N 0 0 318.333 0.522 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCC1=O ZINC000275202477 287884514 /nfs/dbraw/zinc/88/45/14/287884514.db2.gz DOVZJBYBFVCBIX-WOPDTQHZSA-N 0 0 306.362 0.599 10 0 DCAERN CCOC(=O)c1cn(CCNC(=O)Cn2nc(C)cc2C)cn1 ZINC000538831497 287885505 /nfs/dbraw/zinc/88/55/05/287885505.db2.gz FEQGGWUEKYZEEL-UHFFFAOYSA-N 0 0 319.365 0.690 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCSC[C@H]1CCO ZINC000539312640 287889755 /nfs/dbraw/zinc/88/97/55/287889755.db2.gz NJDGPWAZRACVHZ-JHJVBQTASA-N 0 0 318.439 0.690 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCC(=O)c1ccccc1 ZINC000541701842 287923521 /nfs/dbraw/zinc/92/35/21/287923521.db2.gz XTZHLBZDAVOUQA-OAHLLOKOSA-N 0 0 317.389 0.002 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000408074714 277224640 /nfs/dbraw/zinc/22/46/40/277224640.db2.gz VKYYOHDMMWAYIV-UKRRQHHQSA-N 0 0 311.426 0.567 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000408151687 277234484 /nfs/dbraw/zinc/23/44/84/277234484.db2.gz XIFUXNMXWLTKOD-UTUOFQBUSA-N 0 0 318.439 0.612 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000408429867 277329253 /nfs/dbraw/zinc/32/92/53/277329253.db2.gz ZYEKGDMUCYOUFQ-CHWSQXEVSA-N 0 0 324.425 0.553 10 0 DCAERN CCOC(=O)[C@H]1CSCCN1C(=O)c1cccc2ncnn21 ZINC000543406662 287957203 /nfs/dbraw/zinc/95/72/03/287957203.db2.gz MKMPCUUIIRTCMT-LLVKDONJSA-N 0 0 320.374 0.850 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)nn1 ZINC000172408158 277404423 /nfs/dbraw/zinc/40/44/23/277404423.db2.gz IENDAQOJDDVMLH-SNVBAGLBSA-N 0 0 316.365 0.945 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543604829 287960810 /nfs/dbraw/zinc/96/08/10/287960810.db2.gz FKRISKGQPMTKPX-LSDHHAIUSA-N 0 0 323.437 0.567 10 0 DCAERN COCCn1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000544536369 287976457 /nfs/dbraw/zinc/97/64/57/287976457.db2.gz TZEKJUBVPCJVCL-ZDUSSCGKSA-N 0 0 309.370 0.078 10 0 DCAERN CCn1nc(C)c(CNC(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000544663906 287979601 /nfs/dbraw/zinc/97/96/01/287979601.db2.gz QLJSMYXGBZQGPV-AWEZNQCLSA-N 0 0 321.425 0.746 10 0 DCAERN CC(C)[C@@H]1N(C(=O)NCCN2CCOCC2)C[C@]12CCCO2 ZINC000333685908 277828745 /nfs/dbraw/zinc/82/87/45/277828745.db2.gz BWYURVUKTITXMO-GOEBONIOSA-N 0 0 311.426 0.918 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183706752 277963380 /nfs/dbraw/zinc/96/33/80/277963380.db2.gz HGRDLGOXXWYSQT-HNNXBMFYSA-N 0 0 321.352 0.612 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000268714557 277963693 /nfs/dbraw/zinc/96/36/93/277963693.db2.gz ITDUSQHTQDUXFG-OLZOCXBDSA-N 0 0 310.350 0.409 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408064957 278007349 /nfs/dbraw/zinc/00/73/49/278007349.db2.gz MUPZUUPGORCAMW-ZJIFWQFVSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@]3(CCCOC3)C2)C1 ZINC000408052349 278017721 /nfs/dbraw/zinc/01/77/21/278017721.db2.gz LGFBETAABOXHND-IRXDYDNUSA-N 0 0 324.421 0.779 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCNC(=O)c2ccccc21 ZINC000291860273 278023261 /nfs/dbraw/zinc/02/32/61/278023261.db2.gz UWBARDKDBDUHHT-AWEZNQCLSA-N 0 0 301.346 0.774 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000190289804 278090482 /nfs/dbraw/zinc/09/04/82/278090482.db2.gz RFJSWQJVPLOZSV-MCIONIFRSA-N 0 0 307.394 0.864 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C1 ZINC000190495626 278091425 /nfs/dbraw/zinc/09/14/25/278091425.db2.gz GWOMRRMWIDBLQL-CYBMUJFWSA-N 0 0 319.361 0.621 10 0 DCAERN Cc1nnc([C@H](C)NC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000546136225 288016329 /nfs/dbraw/zinc/01/63/29/288016329.db2.gz ONTWRAGBWRHUHU-ONGXEEELSA-N 0 0 311.411 0.634 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433140 278295448 /nfs/dbraw/zinc/29/54/48/278295448.db2.gz KSBGUAZYKAPADZ-KGLIPLIRSA-N 0 0 319.471 0.350 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000333749956 278349704 /nfs/dbraw/zinc/34/97/04/278349704.db2.gz XMHKDKCEJDZKHQ-VIFPVBQESA-N 0 0 310.366 0.962 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1=O ZINC000407986563 278354616 /nfs/dbraw/zinc/35/46/16/278354616.db2.gz UWXKFQMVOBPDGT-GHMZBOCLSA-N 0 0 324.425 0.742 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H](C)[C@H]3CCOC3)CC2)n1 ZINC000547371700 288041706 /nfs/dbraw/zinc/04/17/06/288041706.db2.gz UDMSJXRMOVZLOH-YPMHNXCESA-N 0 0 323.397 0.630 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000547674982 288067363 /nfs/dbraw/zinc/06/73/63/288067363.db2.gz LYTGNPZMORDIKN-OLZOCXBDSA-N 0 0 319.409 0.898 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172756175 278682943 /nfs/dbraw/zinc/68/29/43/278682943.db2.gz WBVYVHUTXGWPCW-LSDHHAIUSA-N 0 0 323.437 0.567 10 0 DCAERN CCC(=O)Nc1cccc(CNC(=O)CN2CCOCC2=O)c1 ZINC000547733203 288073453 /nfs/dbraw/zinc/07/34/53/288073453.db2.gz XIBKBBSAOYMIGD-UHFFFAOYSA-N 0 0 319.361 0.510 10 0 DCAERN CCN1CCN(C(=O)c2cccc3ncnn32)C(C)(C)C1=O ZINC000547967817 288096699 /nfs/dbraw/zinc/09/66/99/288096699.db2.gz RPJYRHIPJKGZHG-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000081813217 279136745 /nfs/dbraw/zinc/13/67/45/279136745.db2.gz SREKOXVSJABZBA-CYBMUJFWSA-N 0 0 324.348 0.827 10 0 DCAERN CCn1cc(CN(C)C(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 ZINC000548061602 288108110 /nfs/dbraw/zinc/10/81/10/288108110.db2.gz WWUWYWBDEHTLAI-INIZCTEOSA-N 0 0 318.377 0.474 10 0 DCAERN O=S(=O)(NCc1cccc(N2CCOCC2)n1)c1c[nH]cn1 ZINC000548150549 288116637 /nfs/dbraw/zinc/11/66/37/288116637.db2.gz BCCRFXXMQWQDDE-UHFFFAOYSA-N 0 0 323.378 0.120 10 0 DCAERN Cc1oc(C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1S(N)(=O)=O ZINC000408094718 279272812 /nfs/dbraw/zinc/27/28/12/279272812.db2.gz IKGGYCXJLSZKGR-CBAPKCEASA-N 0 0 302.352 0.078 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000367160305 279370194 /nfs/dbraw/zinc/37/01/94/279370194.db2.gz ZVLIDMPETUIAJG-NHYWBVRUSA-N 0 0 315.377 0.848 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1ccc(F)c(Cl)c1 ZINC000548388526 288138425 /nfs/dbraw/zinc/13/84/25/288138425.db2.gz PHDUNVMQXWROOJ-UHFFFAOYSA-N 0 0 300.717 0.954 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000548410657 288140714 /nfs/dbraw/zinc/14/07/14/288140714.db2.gz CKSMHYJLVDGAPS-UHFFFAOYSA-N 0 0 318.373 0.985 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC(=O)[C@@H](C)C1)N1CCCS1(=O)=O ZINC000408387845 279758680 /nfs/dbraw/zinc/75/86/80/279758680.db2.gz SSDULMGFNJKPJQ-AAEUAGOBSA-N 0 0 316.423 0.484 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000548715098 288169723 /nfs/dbraw/zinc/16/97/23/288169723.db2.gz RELYVPTZGSBEII-KRWDZBQOSA-N 0 0 319.405 0.296 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 ZINC000548796397 288176697 /nfs/dbraw/zinc/17/66/97/288176697.db2.gz OJFQLDUIDMNFOF-CYBMUJFWSA-N 0 0 320.393 0.564 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNC(=O)COc2cnn(C)c2)C[C@@H](C)O1 ZINC000548847572 288182032 /nfs/dbraw/zinc/18/20/32/288182032.db2.gz XDYMUBKKFOCIKJ-CHWSQXEVSA-N 0 0 324.425 0.803 10 0 DCAERN CCS(=O)(=O)N1CCC2(C[C@H](N3CCOCC3)CO2)CC1 ZINC000096089806 280011982 /nfs/dbraw/zinc/01/19/82/280011982.db2.gz YBIGRQKCGVOLOU-ZDUSSCGKSA-N 0 0 318.439 0.292 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC(=O)[C@@H](C)C1)N1CCCS1(=O)=O ZINC000408387853 280141223 /nfs/dbraw/zinc/14/12/23/280141223.db2.gz SSDULMGFNJKPJQ-WCQYABFASA-N 0 0 316.423 0.484 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000551215290 288225130 /nfs/dbraw/zinc/22/51/30/288225130.db2.gz JWWFWLKDIMLFTF-KGLIPLIRSA-N 0 0 318.373 0.921 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN3CCCC[C@H]3C2)C[C@@H](C)O1 ZINC000249756330 288233096 /nfs/dbraw/zinc/23/30/96/288233096.db2.gz KPWSLQPNZSKVGS-MCIONIFRSA-N 0 0 317.455 0.511 10 0 DCAERN COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553081390 288286082 /nfs/dbraw/zinc/28/60/82/288286082.db2.gz OQOIBOYATICFIK-LLVKDONJSA-N 0 0 320.349 0.441 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(CC)CC)C[C@]2(CCOC2)O1 ZINC000408338529 288294646 /nfs/dbraw/zinc/29/46/46/288294646.db2.gz HGAFMSFNHCJPEK-STQMWFEESA-N 0 0 306.428 0.843 10 0 DCAERN Cc1ccc2ncc(C(=O)N[C@H]3CCc4ncnn4C3)c(=O)n2c1 ZINC000112651730 281167203 /nfs/dbraw/zinc/16/72/03/281167203.db2.gz MBGKAZXSXOIFSM-NSHDSACASA-N 0 0 324.344 0.339 10 0 DCAERN CC1(C)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@H]1[NH3+] ZINC000261982615 281226300 /nfs/dbraw/zinc/22/63/00/281226300.db2.gz MFSKMLVWVXHKJK-SNVBAGLBSA-N 0 0 317.349 0.635 10 0 DCAERN CC1(C)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC[C@@H]1[NH3+] ZINC000261982612 281226310 /nfs/dbraw/zinc/22/63/10/281226310.db2.gz MFSKMLVWVXHKJK-JTQLQIEISA-N 0 0 317.349 0.635 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000370982917 281363876 /nfs/dbraw/zinc/36/38/76/281363876.db2.gz SSWNXVFSFVIDQM-RYUDHWBXSA-N 0 0 300.424 0.364 10 0 DCAERN CCc1noc(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)n1 ZINC000333631120 281486306 /nfs/dbraw/zinc/48/63/06/281486306.db2.gz HOYKRFQWIKQAAN-GHMZBOCLSA-N 0 0 309.370 0.381 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC000558595055 288449829 /nfs/dbraw/zinc/44/98/29/288449829.db2.gz HSGDZLJAJQYFKQ-ZYHUDNBSSA-N 0 0 315.395 0.271 10 0 DCAERN C[C@@H](CNC(=O)c1ccnc2c1nnn2C)N1CCCCC1=O ZINC000558716352 288458434 /nfs/dbraw/zinc/45/84/34/288458434.db2.gz PIYACVZZSBPKMU-JTQLQIEISA-N 0 0 316.365 0.494 10 0 DCAERN Cc1cc(CCNC(=O)[C@H]2COCCN2CC(F)F)on1 ZINC000561333248 288540657 /nfs/dbraw/zinc/54/06/57/288540657.db2.gz PJEDHPOYFFWXOV-LLVKDONJSA-N 0 0 303.309 0.608 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)CC(=O)N1 ZINC000408205120 288614814 /nfs/dbraw/zinc/61/48/14/288614814.db2.gz XJNFDEIDUPXZDB-UYAYMFIHSA-N 0 0 308.300 0.815 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000284838821 290084243 /nfs/dbraw/zinc/08/42/43/290084243.db2.gz ZDOXBXZORXBCMJ-TUKIKUTGSA-N 0 0 304.394 0.446 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000408282642 290087213 /nfs/dbraw/zinc/08/72/13/290087213.db2.gz ZGVWHKOOUUHLDP-MJBXVCDLSA-N 0 0 311.426 0.158 10 0 DCAERN CN1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2OCCC3)C1=O ZINC000366169106 290130609 /nfs/dbraw/zinc/13/06/09/290130609.db2.gz HIXJHYALLMSYBD-GFCCVEGCSA-N 0 0 317.345 0.297 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1=O ZINC000373986952 290304463 /nfs/dbraw/zinc/30/44/63/290304463.db2.gz VTCRCKNMDIACQD-RQJABVFESA-N 0 0 309.410 0.942 10 0 DCAERN CNC(=O)C1(C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)CC1 ZINC000370184633 290347052 /nfs/dbraw/zinc/34/70/52/290347052.db2.gz OPPBQNKSHIIRBF-HNNXBMFYSA-N 0 0 310.394 0.699 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408027260 292938077 /nfs/dbraw/zinc/93/80/77/292938077.db2.gz MJMUPRGMQRNAMJ-RNJOBUHISA-N 0 0 322.427 0.076 10 0 DCAERN Cc1nc(-c2ccco2)ccc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000180271354 293144765 /nfs/dbraw/zinc/14/47/65/293144765.db2.gz UOLMFBBUHUWZFG-ZDUSSCGKSA-N 0 0 315.329 0.976 10 0 DCAERN Cc1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)no1 ZINC000371131749 293259321 /nfs/dbraw/zinc/25/93/21/293259321.db2.gz CSBLYMWXFONGJP-GFCCVEGCSA-N 0 0 317.349 0.825 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000287368056 293285057 /nfs/dbraw/zinc/28/50/57/293285057.db2.gz MTBXKZWLQRRRQP-APPZFPTMSA-N 0 0 317.798 0.989 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)C[C@H](C)O1 ZINC000408009056 297049428 /nfs/dbraw/zinc/04/94/28/297049428.db2.gz HAPCLUHGLNQUJH-RVMXOQNASA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)C[C@@H](C)O1 ZINC000408009060 297049463 /nfs/dbraw/zinc/04/94/63/297049463.db2.gz HAPCLUHGLNQUJH-UMSGYPCISA-N 0 0 306.428 0.433 10 0 DCAERN Cc1sc2ncc(C(=O)N[C@@H]3CCCNC3=O)c(=O)n2c1C ZINC000408109608 294086637 /nfs/dbraw/zinc/08/66/37/294086637.db2.gz YTZXQGCRLSHIJP-SNVBAGLBSA-N 0 0 320.374 0.381 10 0 DCAERN Cn1ncc(Br)c1CN1CCN2C(=O)NC[C@@H]2C1 ZINC000408364560 294524853 /nfs/dbraw/zinc/52/48/53/294524853.db2.gz CYVLEASKJZOTMN-MRVPVSSYSA-N 0 0 314.187 0.392 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000091785392 295119086 /nfs/dbraw/zinc/11/90/86/295119086.db2.gz CHQOYVPUOXMSTI-AAEUAGOBSA-N 0 0 304.346 0.656 10 0 DCAERN COc1ccc(F)c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1OC ZINC000299749961 295147625 /nfs/dbraw/zinc/14/76/25/295147625.db2.gz MGADLMQDHGZNIF-WCQYABFASA-N 0 0 324.352 0.998 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCc2cccnc21 ZINC000408439940 295283023 /nfs/dbraw/zinc/28/30/23/295283023.db2.gz WSDAGQXDBOMFJC-STQMWFEESA-N 0 0 323.418 0.781 10 0 DCAERN NS(=O)(=O)c1cccc2c1CCCN2S(=O)(=O)C1CC1 ZINC000253430452 295289961 /nfs/dbraw/zinc/28/99/61/295289961.db2.gz ZOBCEPAAEDNQJP-UHFFFAOYSA-N 0 0 316.404 0.579 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)O1 ZINC000368518700 297386622 /nfs/dbraw/zinc/38/66/22/297386622.db2.gz NDLMINXTHXKWFL-UZGDPCLZSA-N 0 0 310.394 0.696 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000329054964 297414703 /nfs/dbraw/zinc/41/47/03/297414703.db2.gz HXAHPFQZZJLBLA-HZSPNIEDSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000192324523 297478622 /nfs/dbraw/zinc/47/86/22/297478622.db2.gz SUCWIAHZFBARHZ-YUSALJHKSA-N 0 0 312.395 0.310 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184294446 298232617 /nfs/dbraw/zinc/23/26/17/298232617.db2.gz KQDHDRDHARPJDP-RKDXNWHRSA-N 0 0 303.302 0.758 10 0 DCAERN C[C@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)CCS1(=O)=O ZINC000172375187 300173429 /nfs/dbraw/zinc/17/34/29/300173429.db2.gz RTFJXIBIVRNRNP-JSGCOSHPSA-N 0 0 310.419 0.935 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)on1 ZINC000329210115 301356506 /nfs/dbraw/zinc/35/65/06/301356506.db2.gz ZJKJBTQXXHRTKR-OUAUKWLOSA-N 0 0 313.379 0.429 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408461482 302291897 /nfs/dbraw/zinc/29/18/97/302291897.db2.gz VLCWUZDMLFIAPK-OLZOCXBDSA-N 0 0 311.407 0.484 10 0 DCAERN Cn1cncc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000329655165 303025429 /nfs/dbraw/zinc/02/54/29/303025429.db2.gz FRCCXYJCVCTCRH-ZDUSSCGKSA-N 0 0 320.393 0.664 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000284443781 303103550 /nfs/dbraw/zinc/10/35/50/303103550.db2.gz KBDOEPINXXZWHE-OCCSQVGLSA-N 0 0 314.345 0.719 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCO[C@@H](C2CC2)C1 ZINC000330144035 303600620 /nfs/dbraw/zinc/60/06/20/303600620.db2.gz RLZPWKOENAOECR-HZSPNIEDSA-N 0 0 320.389 0.799 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)c1c[nH]nc1[C@@H]1CCOC1 ZINC000332708474 332856798 /nfs/dbraw/zinc/85/67/98/332856798.db2.gz CFABBTSBQGEETC-PWSUYJOCSA-N 0 0 318.377 0.845 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000332826492 332879533 /nfs/dbraw/zinc/87/95/33/332879533.db2.gz KOTSXAXJTPMSNI-NWDGAFQWSA-N 0 0 303.370 0.599 10 0 DCAERN CC(C)(CNC(=O)[C@H]1C[C@]12CCOC2)N1CCS(=O)CC1 ZINC000332903057 332901329 /nfs/dbraw/zinc/90/13/29/332901329.db2.gz PWSGUXODGCGSEB-DOMZBBRYSA-N 0 0 314.451 0.372 10 0 DCAERN COCC[C@@]1(NC(=O)NCc2nnc3ccccn32)CCOC1 ZINC000570473620 332759663 /nfs/dbraw/zinc/75/96/63/332759663.db2.gz OMKTWQUMFBQTQL-OAHLLOKOSA-N 0 0 319.365 0.724 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000187566372 332976170 /nfs/dbraw/zinc/97/61/70/332976170.db2.gz SQNXJFHVXHVYNP-UHFFFAOYSA-N 0 0 313.304 0.445 10 0 DCAERN O=C(NCCCn1ccnn1)c1cc2c([nH]c1=O)CCCC2 ZINC000183001252 333182157 /nfs/dbraw/zinc/18/21/57/333182157.db2.gz XAHHVJWHAANMKB-UHFFFAOYSA-N 0 0 301.350 0.665 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000583643005 336011123 /nfs/dbraw/zinc/01/11/23/336011123.db2.gz DUERDIZWBYOAHY-JSGCOSHPSA-N 0 0 321.425 0.817 10 0 DCAERN CCN1CN(C(=O)NCCOc2ncccc2Cl)CC1=O ZINC000190014800 336258692 /nfs/dbraw/zinc/25/86/92/336258692.db2.gz GFCVFWKDIDMTRK-UHFFFAOYSA-N 0 0 312.757 0.945 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)N1CC(CO)C1 ZINC000582640920 337114165 /nfs/dbraw/zinc/11/41/65/337114165.db2.gz KLXKFPBGCQSYRD-UHFFFAOYSA-N 0 0 310.423 0.920 10 0 DCAERN O=C1CN(C2CCC2)C(=O)N1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000583240105 337284716 /nfs/dbraw/zinc/28/47/16/337284716.db2.gz QMHGDNDGRSKGGR-VIFPVBQESA-N 0 0 319.283 0.966 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCCO)nc1 ZINC000584448901 337339064 /nfs/dbraw/zinc/33/90/64/337339064.db2.gz SEFSBUGTPUSKAI-UHFFFAOYSA-N 0 0 316.383 0.178 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000172332563 341796809 /nfs/dbraw/zinc/79/68/09/341796809.db2.gz HMGKJNLCLXEGRX-NXEZZACHSA-N 0 0 314.345 0.697 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000175406016 341838207 /nfs/dbraw/zinc/83/82/07/341838207.db2.gz XISMWXZEJYWEAG-SECBINFHSA-N 0 0 312.329 0.416 10 0 DCAERN CC1(C)CN(c2nccn(C(F)F)c2=O)CCS1(=O)=O ZINC000576782292 341863130 /nfs/dbraw/zinc/86/31/30/341863130.db2.gz KJAWVPZPJPLSMO-UHFFFAOYSA-N 0 0 307.322 0.652 10 0 DCAERN CC1(C)CS(=O)(=O)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000577897647 341947353 /nfs/dbraw/zinc/94/73/53/341947353.db2.gz PUANLAWKYFGGHM-CHWSQXEVSA-N 0 0 321.439 0.052 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000170689951 533736076 /nfs/dbraw/zinc/73/60/76/533736076.db2.gz GQEZPUIQLGXJOF-RYUDHWBXSA-N 0 0 317.393 0.803 10 0 DCAERN CNS(=O)(=O)CCNS(=O)(=O)c1cc(C)sc1C ZINC000190603592 522204955 /nfs/dbraw/zinc/20/49/55/522204955.db2.gz ZHXJAALQNPWCPA-UHFFFAOYSA-N 0 0 312.438 0.192 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)CCS1(=O)=O ZINC000188633351 533849529 /nfs/dbraw/zinc/84/95/29/533849529.db2.gz YHRWLIAXKKNIHF-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)N1CCC[C@H](Nc2nn3c(nccc3=O)s2)C1 ZINC000301170616 533977036 /nfs/dbraw/zinc/97/70/36/533977036.db2.gz JWWHROOQWYOMHP-QMMMGPOBSA-N 0 0 309.351 0.794 10 0 DCAERN C[C@H](O)CN(C(=O)c1cccc(-n2cncn2)c1)[C@@H](C)CO ZINC000189328471 534065066 /nfs/dbraw/zinc/06/50/66/534065066.db2.gz NHWTYRYMCUBVSS-RYUDHWBXSA-N 0 0 304.350 0.471 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)CCNC(N)=O)CC2 ZINC000364714935 518413059 /nfs/dbraw/zinc/41/30/59/518413059.db2.gz YABBORYXDSWZEV-UHFFFAOYSA-N 0 0 303.362 0.875 10 0 DCAERN OC[C@H]1CCCN(c2cc(NCCn3ccnn3)ncn2)C1 ZINC000302192522 534399170 /nfs/dbraw/zinc/39/91/70/534399170.db2.gz RKFHNXOSVKJOQW-LBPRGKRZSA-N 0 0 303.370 0.389 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187295844 534424900 /nfs/dbraw/zinc/42/49/00/534424900.db2.gz FHFPRAZAMCSNCZ-SECBINFHSA-N 0 0 301.774 0.704 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)c1 ZINC000267373053 519452656 /nfs/dbraw/zinc/45/26/56/519452656.db2.gz HBXGKXLLVFOQCH-INIZCTEOSA-N 0 0 319.361 0.591 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)C1 ZINC000267547601 519532532 /nfs/dbraw/zinc/53/25/32/519532532.db2.gz AOGRSUQSJLMLOY-UKRRQHHQSA-N 0 0 320.393 0.579 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000120092246 519588569 /nfs/dbraw/zinc/58/85/69/519588569.db2.gz QPEOWIUJEGRAKY-CQSZACIVSA-N 0 0 322.409 0.663 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000191345161 519646958 /nfs/dbraw/zinc/64/69/58/519646958.db2.gz KMKJYMYTAMHEMK-UHFFFAOYSA-N 0 0 300.318 0.453 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000191488353 519649110 /nfs/dbraw/zinc/64/91/10/519649110.db2.gz VPQYMNHBXCCASC-CQSZACIVSA-N 0 0 323.299 0.805 10 0 DCAERN CC(=O)NCCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000159222616 519660176 /nfs/dbraw/zinc/66/01/76/519660176.db2.gz ZHGBTGBGLNHZNT-UHFFFAOYSA-N 0 0 304.393 0.408 10 0 DCAERN CC(C)CCNC(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247067739 519660680 /nfs/dbraw/zinc/66/06/80/519660680.db2.gz KPRFRQJIEYVZMM-NWDGAFQWSA-N 0 0 305.444 0.161 10 0 DCAERN CC(=O)NCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155185450 519666343 /nfs/dbraw/zinc/66/63/43/519666343.db2.gz OYJNRFWBFITQAQ-LLVKDONJSA-N 0 0 308.386 0.152 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@@H]1CCOC1)[C@@H]2C ZINC000364844146 519895673 /nfs/dbraw/zinc/89/56/73/519895673.db2.gz MSUJKXLBBMGEGC-GHMZBOCLSA-N 0 0 314.411 0.897 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)[C@@H]1CCOC1)[C@H]2C ZINC000364844157 519896009 /nfs/dbraw/zinc/89/60/09/519896009.db2.gz MSUJKXLBBMGEGC-WDEREUQCSA-N 0 0 314.411 0.897 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)NCC1(CCO)CC1 ZINC000187953472 534506946 /nfs/dbraw/zinc/50/69/46/534506946.db2.gz CUQLKNAQOVLHRQ-UHFFFAOYSA-N 0 0 316.361 0.460 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@H]1CCO ZINC000249870766 521163018 /nfs/dbraw/zinc/16/30/18/521163018.db2.gz GCOLNGROQUEMPI-SDDRHHMPSA-N 0 0 300.424 0.965 10 0 DCAERN CCCN(CC(=O)NC)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000161961292 521544921 /nfs/dbraw/zinc/54/49/21/521544921.db2.gz QABSTHGBEHJZFJ-UHFFFAOYSA-N 0 0 318.420 0.750 10 0 DCAERN CCN1CCCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000190166206 521614558 /nfs/dbraw/zinc/61/45/58/521614558.db2.gz HJABUSQNDATXNA-CYBMUJFWSA-N 0 0 319.409 0.388 10 0 DCAERN CCNC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917151 521737314 /nfs/dbraw/zinc/73/73/14/521737314.db2.gz RBYWDDNKDOUSFI-UHFFFAOYSA-N 0 0 307.398 0.591 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000155684425 521988659 /nfs/dbraw/zinc/98/86/59/521988659.db2.gz IXMSVQOVHYPPOR-SMDDNHRTSA-N 0 0 303.362 0.920 10 0 DCAERN COc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1F ZINC000132272789 522115895 /nfs/dbraw/zinc/11/58/95/522115895.db2.gz JPQYHPNCKORPSO-GFCCVEGCSA-N 0 0 312.341 0.257 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000131268555 522204019 /nfs/dbraw/zinc/20/40/19/522204019.db2.gz LIHSYKNPTUPLTL-LLVKDONJSA-N 0 0 314.817 0.911 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000155684528 522321826 /nfs/dbraw/zinc/32/18/26/522321826.db2.gz IXMSVQOVHYPPOR-RISCZKNCSA-N 0 0 303.362 0.920 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNC(=O)COc1ccccc1 ZINC000189163511 522595191 /nfs/dbraw/zinc/59/51/91/522595191.db2.gz BLLRIQJUQZXYBZ-UHFFFAOYSA-N 0 0 306.362 0.413 10 0 DCAERN CN(CC1(CO)CC1)c1cc(N(C)CC2(CO)CC2)ncn1 ZINC000188465053 522598560 /nfs/dbraw/zinc/59/85/60/522598560.db2.gz GXIANEOGBKLLBG-UHFFFAOYSA-N 0 0 306.410 0.894 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@@H]1C(=O)NC ZINC000190895722 522644491 /nfs/dbraw/zinc/64/44/91/522644491.db2.gz BVEDZMYFIYYUBK-CQSZACIVSA-N 0 0 306.410 0.824 10 0 DCAERN COC(=O)CCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000131188767 522954773 /nfs/dbraw/zinc/95/47/73/522954773.db2.gz WJCCPIMECCMYAH-ZDUSSCGKSA-N 0 0 309.366 0.762 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)CC2 ZINC000171342555 534699820 /nfs/dbraw/zinc/69/98/20/534699820.db2.gz JWLPGMXXSWAPCD-QWHCGFSZSA-N 0 0 319.409 0.665 10 0 DCAERN CCn1cc(C(=O)C(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000128826917 523320058 /nfs/dbraw/zinc/32/00/58/523320058.db2.gz PFSJBECREWXHJZ-UHFFFAOYSA-N 0 0 314.345 0.632 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000176974337 523320454 /nfs/dbraw/zinc/32/04/54/523320454.db2.gz WIHRBZDNXVJLKB-NWDGAFQWSA-N 0 0 306.366 0.761 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126926164 523418454 /nfs/dbraw/zinc/41/84/54/523418454.db2.gz IXUBAZCFBWCAAQ-CYBMUJFWSA-N 0 0 323.397 0.995 10 0 DCAERN COC(=O)NCC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157854727 523438713 /nfs/dbraw/zinc/43/87/13/523438713.db2.gz VDZIIZBTEFGPST-UHFFFAOYSA-N 0 0 306.366 0.831 10 0 DCAERN O=C(c1ccc(F)cn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000181981502 534709931 /nfs/dbraw/zinc/70/99/31/534709931.db2.gz VXAHFBCVNJGOAB-GFCCVEGCSA-N 0 0 321.352 0.932 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)NCc3ccnn3C)CCO2)cn1 ZINC000191099692 523480488 /nfs/dbraw/zinc/48/04/88/523480488.db2.gz QMAFZBSQBMUYNW-CQSZACIVSA-N 0 0 318.381 0.920 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)NCC(=O)N(C)C)CCO2)cn1 ZINC000190510302 523480834 /nfs/dbraw/zinc/48/08/34/523480834.db2.gz RXADTFLQGVAMSV-GFCCVEGCSA-N 0 0 309.370 0.074 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3cc(C)nn3C)[C@H]2C1 ZINC000158200901 523709818 /nfs/dbraw/zinc/70/98/18/523709818.db2.gz BHZDNPZUZJHJRM-RDBSUJKOSA-N 0 0 322.409 0.935 10 0 DCAERN CC[C@@]1(C)CN(S(=O)(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000190596567 523717524 /nfs/dbraw/zinc/71/75/24/523717524.db2.gz HBYVIBPQTBMFMG-AWEZNQCLSA-N 0 0 312.391 0.975 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3cc(C)nn3C)[C@H]2C1 ZINC000158201057 523724046 /nfs/dbraw/zinc/72/40/46/523724046.db2.gz BHZDNPZUZJHJRM-HZSPNIEDSA-N 0 0 322.409 0.935 10 0 DCAERN CN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@H]1CCCc2c1cnn2C ZINC000154824734 523807729 /nfs/dbraw/zinc/80/77/29/523807729.db2.gz HYAWRGZYHSGHGQ-MNOVXSKESA-N 0 0 319.365 0.244 10 0 DCAERN CO[C@@]1(C)C[C@@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000267185915 523812067 /nfs/dbraw/zinc/81/20/67/523812067.db2.gz WFTACJQILDHFHE-PSLIRLAXSA-N 0 0 318.381 0.728 10 0 DCAERN CO[C@H](C)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000364992137 523837571 /nfs/dbraw/zinc/83/75/71/523837571.db2.gz CFWWGBNEVLFKDY-LLVKDONJSA-N 0 0 324.402 0.625 10 0 DCAERN CN1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1=O ZINC000153186553 523877315 /nfs/dbraw/zinc/87/73/15/523877315.db2.gz JGZOQLACUFCUCL-UHFFFAOYSA-N 0 0 313.361 0.856 10 0 DCAERN CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCCc2c1cnn2C ZINC000154719074 523929119 /nfs/dbraw/zinc/92/91/19/523929119.db2.gz NOOBYQWRNKRLSN-LBPRGKRZSA-N 0 0 301.350 0.663 10 0 DCAERN COCCOCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122416866 523983664 /nfs/dbraw/zinc/98/36/64/523983664.db2.gz SUCVMTRFMDDYQC-AWEZNQCLSA-N 0 0 322.409 0.957 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158657981 523992608 /nfs/dbraw/zinc/99/26/08/523992608.db2.gz MSWSVOBCUWIFDO-SSDOTTSWSA-N 0 0 318.299 0.738 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC[C@@H]1C ZINC000191300633 524004759 /nfs/dbraw/zinc/00/47/59/524004759.db2.gz FPQFVYPTPJMHER-GWCFXTLKSA-N 0 0 321.377 0.516 10 0 DCAERN CN1C[C@@H](NC(=O)C[C@@H](NC(N)=O)c2cccs2)CCC1=O ZINC000131020829 524009659 /nfs/dbraw/zinc/00/96/59/524009659.db2.gz ZKVPIXUCPLGRNF-VHSXEESVSA-N 0 0 324.406 0.585 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCN2CCO[C@@H](C)C2)C1 ZINC000249456384 524022171 /nfs/dbraw/zinc/02/21/71/524022171.db2.gz XZVSATZFSFBJJN-FPMFFAJLSA-N 0 0 310.398 0.861 10 0 DCAERN CN1C[C@H](NC(=O)Nc2cccnc2-n2cncn2)CCC1=O ZINC000153261452 524023994 /nfs/dbraw/zinc/02/39/94/524023994.db2.gz BWQZVOJRLRIYDD-SNVBAGLBSA-N 0 0 315.337 0.405 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)CCC1=O ZINC000162920100 524024100 /nfs/dbraw/zinc/02/41/00/524024100.db2.gz ZKXCOYOFFUQGOF-KYOSRNDESA-N 0 0 303.362 0.565 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000187926788 524082589 /nfs/dbraw/zinc/08/25/89/524082589.db2.gz AKNXBJZIKRSEEC-ZDUSSCGKSA-N 0 0 322.386 0.960 10 0 DCAERN COc1ccc(F)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1OC ZINC000364998667 524269738 /nfs/dbraw/zinc/26/97/38/524269738.db2.gz BGUIYVADUOKSTK-NSHDSACASA-N 0 0 324.352 1.000 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000188045454 524466069 /nfs/dbraw/zinc/46/60/69/524466069.db2.gz GJTNGNPOYDNPQI-HOTGVXAUSA-N 0 0 321.421 0.528 10 0 DCAERN C[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCS1(=O)=O ZINC000155677985 524649503 /nfs/dbraw/zinc/64/95/03/524649503.db2.gz IYUQTLWUPMDQJB-JTQLQIEISA-N 0 0 306.391 0.831 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)c1cnn(C)c1 ZINC000267576155 525046749 /nfs/dbraw/zinc/04/67/49/525046749.db2.gz FOMMILJDXOFSJN-VNHYZAJKSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@H]1CCOC1 ZINC000266474333 525171554 /nfs/dbraw/zinc/17/15/54/525171554.db2.gz BAERBMVKPUHUTR-OLZOCXBDSA-N 0 0 305.382 0.733 10 0 DCAERN C[C@@H](NC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000268652456 525174309 /nfs/dbraw/zinc/17/43/09/525174309.db2.gz PGHKPYFHKCQNEA-ABAIWWIYSA-N 0 0 323.397 0.154 10 0 DCAERN C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)NCc1ccco1 ZINC000135550060 525504999 /nfs/dbraw/zinc/50/49/99/525504999.db2.gz VTPSCJYWKPXEDS-UMNHJUIQSA-N 0 0 316.379 0.381 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000131966449 525515307 /nfs/dbraw/zinc/51/53/07/525515307.db2.gz IWSUOKXQDIUPSK-NSHDSACASA-N 0 0 314.411 0.059 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000130261441 525590830 /nfs/dbraw/zinc/59/08/30/525590830.db2.gz PBSBCGUULDRXOE-DZGCQCFKSA-N 0 0 321.425 0.815 10 0 DCAERN Cc1ccnc(-n2nccc2NC(=O)C(=O)NCC[C@@H](C)O)c1 ZINC000192019395 525631283 /nfs/dbraw/zinc/63/12/83/525631283.db2.gz ZDQZAXLBJYRMGU-LLVKDONJSA-N 0 0 317.349 0.401 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000364252282 525699124 /nfs/dbraw/zinc/69/91/24/525699124.db2.gz VKUPKGYOVHQZRQ-MGPLVRAMSA-N 0 0 323.393 0.326 10 0 DCAERN C[C@@H](O)CCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000136112080 525764929 /nfs/dbraw/zinc/76/49/29/525764929.db2.gz OABJDPDEDCDGFP-SNVBAGLBSA-N 0 0 318.370 0.381 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC000128207640 525791818 /nfs/dbraw/zinc/79/18/18/525791818.db2.gz XEHKHCLQUUSBPR-CHWSQXEVSA-N 0 0 306.410 0.747 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCOCC[C@H]1C ZINC000364769798 526251874 /nfs/dbraw/zinc/25/18/74/526251874.db2.gz LEOYPRPEKBDAFM-LLVKDONJSA-N 0 0 319.361 0.670 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC(N3CCCC3=O)CC2)c1 ZINC000118079502 526262374 /nfs/dbraw/zinc/26/23/74/526262374.db2.gz RHYCZTMIBNWNGJ-UHFFFAOYSA-N 0 0 319.409 0.988 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000182898960 526263330 /nfs/dbraw/zinc/26/33/30/526263330.db2.gz BBRJZPUUTBSDLG-UHFFFAOYSA-N 0 0 309.347 0.899 10 0 DCAERN O=C(CCCCc1c[nH]nn1)NC[C@H]1CN(C2CC2)CCO1 ZINC000157931386 526428383 /nfs/dbraw/zinc/42/83/83/526428383.db2.gz UAHLYIAAADLCJF-AWEZNQCLSA-N 0 0 307.398 0.497 10 0 DCAERN O=C(CCCNC(=O)c1cc2c(cn1)nc[nH]c2=O)NC1CC1 ZINC000188957260 526440699 /nfs/dbraw/zinc/44/06/99/526440699.db2.gz MNZDDPPBHRZYQW-UHFFFAOYSA-N 0 0 315.333 0.107 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)[nH]1 ZINC000173526636 526535271 /nfs/dbraw/zinc/53/52/71/526535271.db2.gz HPKPBUZMCKZLEL-GFCCVEGCSA-N 0 0 321.381 0.319 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C)C2)n1 ZINC000365025536 526671889 /nfs/dbraw/zinc/67/18/89/526671889.db2.gz FKUTUJWCEHNXOQ-CMPLNLGQSA-N 0 0 322.365 0.536 10 0 DCAERN CNC(=O)CCNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434794023 536490440 /nfs/dbraw/zinc/49/04/40/536490440.db2.gz MGDIGZCFQUFWCR-QMMMGPOBSA-N 0 0 324.406 0.459 10 0 DCAERN O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCNC(=O)CC1 ZINC000128409225 526865305 /nfs/dbraw/zinc/86/53/05/526865305.db2.gz VYWFXSXHKOYROE-UHFFFAOYSA-N 0 0 317.324 0.428 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000157031559 526866365 /nfs/dbraw/zinc/86/63/65/526866365.db2.gz KYUVRKUYLFBXSF-LBPRGKRZSA-N 0 0 317.267 0.337 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCO[C@]3(CCOC3)C2)c1C ZINC000186059047 526866877 /nfs/dbraw/zinc/86/68/77/526866877.db2.gz NSXRMZKAGLUMKT-CQSZACIVSA-N 0 0 312.391 0.545 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000153773088 526867309 /nfs/dbraw/zinc/86/73/09/526867309.db2.gz IWLITYYLQWLEFS-CFVMTHIKSA-N 0 0 315.373 0.885 10 0 DCAERN Cc1nc(CNC(=O)NCCN2C(=O)Cc3ccccc32)no1 ZINC000176235313 526880120 /nfs/dbraw/zinc/88/01/20/526880120.db2.gz ZRTLQLOEDMOTFX-UHFFFAOYSA-N 0 0 315.333 0.767 10 0 DCAERN NC(=O)COCCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000131260072 526889040 /nfs/dbraw/zinc/88/90/40/526889040.db2.gz KTDQVBJISIZHTI-UHFFFAOYSA-N 0 0 300.305 0.906 10 0 DCAERN O=C(COC[C@@H]1CCOC1)NC[C@@]1(O)CCc2ccccc21 ZINC000159014211 526933807 /nfs/dbraw/zinc/93/38/07/526933807.db2.gz FHROJYUXYYMZMC-DYVFJYSZSA-N 0 0 305.374 0.990 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189148733 527013902 /nfs/dbraw/zinc/01/39/02/527013902.db2.gz MILOHGOOJMVFDI-LLVKDONJSA-N 0 0 324.287 0.701 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000190257810 527047204 /nfs/dbraw/zinc/04/72/04/527047204.db2.gz OGMTWBSSDVTNCH-UHFFFAOYSA-N 0 0 316.361 0.206 10 0 DCAERN Cn1cc(CNC(=O)C2=NN(C)C(=O)CC2)c(C(F)(F)F)n1 ZINC000156171108 527208663 /nfs/dbraw/zinc/20/86/63/527208663.db2.gz OQZRVYLPKFALJA-UHFFFAOYSA-N 0 0 317.271 0.663 10 0 DCAERN O=C(Nc1ccc(F)cc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187988823 527209394 /nfs/dbraw/zinc/20/93/94/527209394.db2.gz NLSJFZLHQLIBFB-UHFFFAOYSA-N 0 0 323.299 0.640 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CSC(=O)N2)c(C(F)(F)F)n1 ZINC000153903839 527212642 /nfs/dbraw/zinc/21/26/42/527212642.db2.gz AUQMLTBLTBNKTI-ZCFIWIBFSA-N 0 0 308.285 0.880 10 0 DCAERN Cn1cc(Cl)cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116831382 527237246 /nfs/dbraw/zinc/23/72/46/527237246.db2.gz BVCNMDYASNKUFW-SECBINFHSA-N 0 0 305.787 0.442 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)cn1 ZINC000154450472 527243810 /nfs/dbraw/zinc/24/38/10/527243810.db2.gz OEVNKWPHQGAUEB-CYBMUJFWSA-N 0 0 315.377 0.518 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)cn1 ZINC000128843650 527319059 /nfs/dbraw/zinc/31/90/59/527319059.db2.gz WHFCIJQLCPRQIA-AAEUAGOBSA-N 0 0 305.382 0.540 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000163493210 527419205 /nfs/dbraw/zinc/41/92/05/527419205.db2.gz QZMMSAFOYSYPJY-QWHCGFSZSA-N 0 0 316.361 0.524 10 0 DCAERN O=C(NC1CC1)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000162047867 527486184 /nfs/dbraw/zinc/48/61/84/527486184.db2.gz XJVSLKIJSJKAMU-MFKMUULPSA-N 0 0 310.300 0.878 10 0 DCAERN Cn1nccc1CNC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000163529766 527609512 /nfs/dbraw/zinc/60/95/12/527609512.db2.gz GAUGGIBQWUATLP-LBPRGKRZSA-N 0 0 300.366 0.893 10 0 DCAERN CCO[C@H](C)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000276707487 528000293 /nfs/dbraw/zinc/00/02/93/528000293.db2.gz PKZZTFCRAFGUIF-DGCLKSJQSA-N 0 0 308.382 0.868 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)n1 ZINC000193377215 528236519 /nfs/dbraw/zinc/23/65/19/528236519.db2.gz IGGSBJJDPFDBNH-MRVPVSSYSA-N 0 0 310.379 0.552 10 0 DCAERN CCOC(C)(C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000188404606 528409312 /nfs/dbraw/zinc/40/93/12/528409312.db2.gz UCNINOGMXGUJHF-UHFFFAOYSA-N 0 0 319.361 0.621 10 0 DCAERN CCCc1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)n(C)n1 ZINC000189283968 528606962 /nfs/dbraw/zinc/60/69/62/528606962.db2.gz LRKLJHXHZWXYOX-GFCCVEGCSA-N 0 0 309.414 0.903 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000131159244 528803662 /nfs/dbraw/zinc/80/36/62/528803662.db2.gz WJRUCJDKMUCPEO-DGCLKSJQSA-N 0 0 318.439 0.874 10 0 DCAERN CC[C@@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000435094995 535990681 /nfs/dbraw/zinc/99/06/81/535990681.db2.gz FRGBJFZJRFPDQU-ZDUSSCGKSA-N 0 0 315.395 0.877 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCC[C@H](O)COC ZINC000230148840 545948372 /nfs/dbraw/zinc/94/83/72/545948372.db2.gz IQJMUDDCNBRBMF-NSHDSACASA-N 0 0 302.396 0.794 10 0 DCAERN COc1cc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)ncn1 ZINC000273035446 536844026 /nfs/dbraw/zinc/84/40/26/536844026.db2.gz ZJSQBICKQNDIDI-UHFFFAOYSA-N 0 0 314.367 0.526 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN(C[C@H](C)O)CC2)c1 ZINC000457751388 536879821 /nfs/dbraw/zinc/87/98/21/536879821.db2.gz SBJMRQDEMZSRPV-ZDUSSCGKSA-N 0 0 320.389 0.920 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774914 545671070 /nfs/dbraw/zinc/67/10/70/545671070.db2.gz HKAPEPRPDXUHDB-LBPRGKRZSA-N 0 0 302.371 0.777 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](C)O)c(F)c1 ZINC000086014407 545706602 /nfs/dbraw/zinc/70/66/02/545706602.db2.gz FEQANWBFJWWRDL-MRVPVSSYSA-N 0 0 304.343 0.833 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cscn2)O1 ZINC000091630615 545718572 /nfs/dbraw/zinc/71/85/72/545718572.db2.gz AHOGGOZDXYXTAW-QWRGUYRKSA-N 0 0 312.395 0.578 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000117799993 545736558 /nfs/dbraw/zinc/73/65/58/545736558.db2.gz PVYMJRXUARNZHN-ZIAGYGMSSA-N 0 0 309.366 0.164 10 0 DCAERN NC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000119698843 545740746 /nfs/dbraw/zinc/74/07/46/545740746.db2.gz GCKPDZOIWPCIAV-MRVPVSSYSA-N 0 0 323.299 0.452 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000121263247 545748074 /nfs/dbraw/zinc/74/80/74/545748074.db2.gz VLDASZVYBHUVSU-UTUOFQBUSA-N 0 0 304.412 0.519 10 0 DCAERN Cc1ccc(N2CCCN(C(=O)[C@@]3(O)CCSC3)CC2)nn1 ZINC000152711309 545829499 /nfs/dbraw/zinc/82/94/99/545829499.db2.gz AZYDPJCZFCLYSZ-OAHLLOKOSA-N 0 0 322.434 0.692 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000157134499 545849762 /nfs/dbraw/zinc/84/97/62/545849762.db2.gz ZRISNJAOLNSHMZ-WOPDTQHZSA-N 0 0 304.412 0.471 10 0 DCAERN CN(C(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465059 545856422 /nfs/dbraw/zinc/85/64/22/545856422.db2.gz ULZUABBPGIJWTD-TZMCWYRMSA-N 0 0 321.425 0.770 10 0 DCAERN O=C(NCCc1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000173797531 545883840 /nfs/dbraw/zinc/88/38/40/545883840.db2.gz ZSRJUGBEDABLFW-LBPRGKRZSA-N 0 0 310.423 0.802 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177952067 545894250 /nfs/dbraw/zinc/89/42/50/545894250.db2.gz FGASWWCLZICXLF-GXTWGEPZSA-N 0 0 320.393 0.899 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C2CC2)CC1 ZINC000182302295 545905758 /nfs/dbraw/zinc/90/57/58/545905758.db2.gz UBAMBHCXMOSZRW-UHFFFAOYSA-N 0 0 315.377 0.897 10 0 DCAERN CCOc1cnc(C(=O)N2CCC(C(=O)N(C)C)CC2)cn1 ZINC000187472090 545916374 /nfs/dbraw/zinc/91/63/74/545916374.db2.gz DKDQLMJKMSLOFZ-UHFFFAOYSA-N 0 0 306.366 0.816 10 0 DCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1cnn(-c2ncccn2)c1 ZINC000189703714 545922067 /nfs/dbraw/zinc/92/20/67/545922067.db2.gz JRPNXWJOSNOWKN-ZYHUDNBSSA-N 0 0 302.338 0.945 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000193479440 545931020 /nfs/dbraw/zinc/93/10/20/545931020.db2.gz XMTWGWCWZXLYAT-AAVRWANBSA-N 0 0 312.435 0.855 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246045353 545962914 /nfs/dbraw/zinc/96/29/14/545962914.db2.gz SQMCZHDYFLIDJW-ZIAGYGMSSA-N 0 0 318.439 0.292 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)Cc1cc[nH]n1 ZINC000329200454 546044128 /nfs/dbraw/zinc/04/41/28/546044128.db2.gz XITXXGLHAAKDJF-CYBMUJFWSA-N 0 0 303.366 0.903 10 0 DCAERN CC(C)C[C@H](CNc1nccn2cnnc12)N1CCOCC1 ZINC000329760781 546054579 /nfs/dbraw/zinc/05/45/79/546054579.db2.gz QQBJAVZDVUDBJN-CYBMUJFWSA-N 0 0 304.398 1.283 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)CN1CCCC1=O ZINC000332760283 546059210 /nfs/dbraw/zinc/05/92/10/546059210.db2.gz ZBTZTXAMHSAJHR-MNOVXSKESA-N 0 0 313.423 0.425 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)[C@@H]1CCCOC1 ZINC000332763927 546059548 /nfs/dbraw/zinc/05/95/48/546059548.db2.gz ZKWNLQFYHSFPFQ-XGUBFFRZSA-N 0 0 311.426 0.916 10 0 DCAERN COc1cc(N2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)ncn1 ZINC000332874786 546064205 /nfs/dbraw/zinc/06/42/05/546064205.db2.gz YHAXBUCQKCDVLQ-RYUDHWBXSA-N 0 0 321.381 0.494 10 0 DCAERN O=C(NCc1nc[nH]n1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000333323459 546077696 /nfs/dbraw/zinc/07/76/96/546077696.db2.gz QDMIFFKINSPWCF-ZCFIWIBFSA-N 0 0 314.271 0.968 10 0 DCAERN CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000347650993 546151067 /nfs/dbraw/zinc/15/10/67/546151067.db2.gz OTCXJBNGWFMSJL-MGPQQGTHSA-N 0 0 310.394 0.698 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(C)s1 ZINC000405253504 546228242 /nfs/dbraw/zinc/22/82/42/546228242.db2.gz FGVADIBFCLNSHC-NWDGAFQWSA-N 0 0 316.448 0.804 10 0 DCAERN Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCn2ncnc2C1 ZINC000667998135 546680684 /nfs/dbraw/zinc/68/06/84/546680684.db2.gz OYAOXCDCKQCOFR-GXTWGEPZSA-N 0 0 302.382 0.995 10 0 DCAERN CS(=O)(=O)c1cnn(-c2nnc(Br)s2)c1 ZINC000725242072 548748984 /nfs/dbraw/zinc/74/89/84/548748984.db2.gz DEIKTPZJCALZNS-UHFFFAOYSA-N 0 0 309.170 0.890 10 0 DCAERN C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 ZINC000056871319 560083352 /nfs/dbraw/zinc/08/33/52/560083352.db2.gz PSUFRPOAICRSTC-ZLGRWFNRSA-N 0 0 309.362 0.493 10 0 biogenic,in-vitro DCAERN O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC[C@@](O)(CO)C1 ZINC000313925901 660432201 /nfs/dbraw/zinc/43/22/01/660432201.db2.gz WGXSPIWNHVSXRD-NSHDSACASA-N 0 0 324.761 0.382 10 0 DCAERN O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC[C@](O)(CO)C1 ZINC000313925898 660432202 /nfs/dbraw/zinc/43/22/02/660432202.db2.gz WGXSPIWNHVSXRD-LLVKDONJSA-N 0 0 324.761 0.382 10 0 DCAERN CCc1cc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000228361626 664556635 /nfs/dbraw/zinc/55/66/35/664556635.db2.gz HVALCBLNZYFKPQ-VIFPVBQESA-N 0 0 303.409 0.831 10 0 DCAERN Cc1ncncc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093536 661158352 /nfs/dbraw/zinc/15/83/52/661158352.db2.gz DAMAQMNLFTYBNE-QWHCGFSZSA-N 0 0 303.322 0.095 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000310194328 661160682 /nfs/dbraw/zinc/16/06/82/661160682.db2.gz ZHKQKEXBRPICNS-NKWVEPMBSA-N 0 0 303.160 0.468 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[C@H]1O ZINC000310194330 661160737 /nfs/dbraw/zinc/16/07/37/661160737.db2.gz ZHKQKEXBRPICNS-RNFRBKRXSA-N 0 0 303.160 0.468 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cnc[nH]2)n(C)c1=O ZINC000888094939 661163649 /nfs/dbraw/zinc/16/36/49/661163649.db2.gz MBBDFVAQYPXFCH-GHMZBOCLSA-N 0 0 318.381 0.373 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ccn[nH]2)n(C)c1=O ZINC000888098123 661175348 /nfs/dbraw/zinc/17/53/48/661175348.db2.gz AASQZMKUIURJOO-GHMZBOCLSA-N 0 0 318.381 0.373 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000179901016 665408839 /nfs/dbraw/zinc/40/88/39/665408839.db2.gz MZQOEOINHZFPFA-VIFPVBQESA-N 0 0 312.757 0.560 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CNOC2)c(Br)c1 ZINC000722500807 661280967 /nfs/dbraw/zinc/28/09/67/661280967.db2.gz LNPNQEKHCGFTHO-QMMMGPOBSA-N 0 0 321.196 0.939 10 0 DCAERN COC(=O)[C@H]1CCCN(Cn2c3cnccc3n(C)c2=O)C1 ZINC000160189901 657476337 /nfs/dbraw/zinc/47/63/37/657476337.db2.gz FGHAQWAZZLTTNQ-NSHDSACASA-N 0 0 304.350 0.578 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)OCc2nccn2C)c1 ZINC000255369340 657515770 /nfs/dbraw/zinc/51/57/70/657515770.db2.gz HTOCKAHKBOMNHA-ARJAWSKDSA-N 0 0 300.318 0.931 10 0 DCAERN CCOCCN1CCN(CCS(=O)(=O)C(C)C)C[C@@H]1C ZINC000178222794 657576679 /nfs/dbraw/zinc/57/66/79/657576679.db2.gz HRDFPPQJOKYCIN-AWEZNQCLSA-N 0 0 306.472 0.852 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnc(Cl)c(Cl)c1 ZINC000089755623 657811747 /nfs/dbraw/zinc/81/17/47/657811747.db2.gz CEAJKGIFTMWGGW-SSDOTTSWSA-N 0 0 302.117 0.923 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@H](O)c1ccccc1F)C(C)C ZINC000178398030 657892483 /nfs/dbraw/zinc/89/24/83/657892483.db2.gz UUFFUURHCTWBMB-QWHCGFSZSA-N 0 0 311.357 0.929 10 0 DCAERN O=S(=O)(N[C@@H]1CC12CC(O)C2)c1cccc2nsnc21 ZINC000724991310 657988713 /nfs/dbraw/zinc/98/87/13/657988713.db2.gz QWTCFVCBGMISHK-VPHNTROTSA-N 0 0 311.388 0.883 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)C(C)C ZINC000178455335 658019583 /nfs/dbraw/zinc/01/95/83/658019583.db2.gz KRDMJRQHIKYYGK-QWHCGFSZSA-N 0 0 311.357 0.929 10 0 DCAERN CC(C)CN(CC(C)C)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725025309 658028281 /nfs/dbraw/zinc/02/82/81/658028281.db2.gz ZVVUPPDOXGAFEV-CYBMUJFWSA-N 0 0 304.456 0.904 10 0 DCAERN CO[C@H]1CC[C@H]1N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000724184751 658039488 /nfs/dbraw/zinc/03/94/88/658039488.db2.gz OZQCPOOOPMMDKC-BDAKNGLRSA-N 0 0 304.393 0.645 10 0 DCAERN CO[C@H]1CC[C@H]1N(C)C(=O)c1c(Br)nnn1C ZINC000724220037 658068551 /nfs/dbraw/zinc/06/85/51/658068551.db2.gz RGGAIVLYGVRRNS-RQJHMYQMSA-N 0 0 303.160 0.827 10 0 DCAERN CC(C)C[C@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000307842794 658224784 /nfs/dbraw/zinc/22/47/84/658224784.db2.gz LIINANKXBKUSFZ-CHWSQXEVSA-N 0 0 302.440 0.658 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000181376789 665562327 /nfs/dbraw/zinc/56/23/27/665562327.db2.gz XRUAOOTVPUZHKG-KGLIPLIRSA-N 0 0 320.393 0.807 10 0 DCAERN NC(=O)Cn1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cn1 ZINC000255632989 658421779 /nfs/dbraw/zinc/42/17/79/658421779.db2.gz FFRJSXWWIBKWMT-WAYWQWQTSA-N 0 0 324.337 0.920 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1ccc(-c2ccccc2)n1C ZINC000181423548 665580103 /nfs/dbraw/zinc/58/01/03/665580103.db2.gz JAYVMZNCIYSZEV-GFCCVEGCSA-N 0 0 302.330 0.956 10 0 DCAERN CN(CC(=O)N[C@@H]1CCC(=O)NC1=O)c1ccc(Cl)cn1 ZINC000089753727 658456950 /nfs/dbraw/zinc/45/69/50/658456950.db2.gz RAHWQKWWAPSIND-SECBINFHSA-N 0 0 310.741 0.093 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnnc1[S@](C)=O ZINC000255050586 658515653 /nfs/dbraw/zinc/51/56/53/658515653.db2.gz GSSMGQOCELFWRF-AUADJRAKSA-N 0 0 322.394 0.244 10 0 DCAERN C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccccn1 ZINC000255769258 658550488 /nfs/dbraw/zinc/55/04/88/658550488.db2.gz IGIHKFGKMDCCOO-TVRMLOFPSA-N 0 0 314.345 0.370 10 0 DCAERN COC(=O)CN1C(=O)N/C(=C\c2ccc(C(=O)OC)cc2)C1=O ZINC000096544844 658620574 /nfs/dbraw/zinc/62/05/74/658620574.db2.gz HXFAYPCNMDOVLH-XFFZJAGNSA-N 0 0 318.285 0.539 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250949119 665593716 /nfs/dbraw/zinc/59/37/16/665593716.db2.gz LCNBJTJGPMACPX-JTQLQIEISA-N 0 0 314.363 0.755 10 0 DCAERN CCN(CCOCCO)C(=O)c1csc(C(=O)OC)n1 ZINC000721428524 658690674 /nfs/dbraw/zinc/69/06/74/658690674.db2.gz SFLPDSLGVRLSNC-UHFFFAOYSA-N 0 0 302.352 0.401 10 0 DCAERN COc1ncccc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cc(C)cn1 ZINC000888077200 658717397 /nfs/dbraw/zinc/71/73/97/658717397.db2.gz RYMPJDBHANPNNN-YNEHKIRRSA-N 0 0 302.334 0.699 10 0 DCAERN O=C(NC1(CO)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000160293065 658725246 /nfs/dbraw/zinc/72/52/46/658725246.db2.gz IEQVRQRQGDDCMT-UHFFFAOYSA-N 0 0 305.302 0.938 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@H](Oc3cccnc3)C2)CCO1 ZINC000177968264 658835475 /nfs/dbraw/zinc/83/54/75/658835475.db2.gz KPBRFDBSIOQQJI-HIFRSBDPSA-N 0 0 305.378 0.782 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C1CCC1 ZINC000176765121 658876416 /nfs/dbraw/zinc/87/64/16/658876416.db2.gz VDSVLCJEWBGDJN-UWVGGRQHSA-N 0 0 315.395 0.819 10 0 DCAERN C#Cc1cccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000155775333 658881216 /nfs/dbraw/zinc/88/12/16/658881216.db2.gz SPMZITWPRLUHIL-WCQYABFASA-N 0 0 313.357 0.719 10 0 DCAERN Cn1nnc(Br)c1C(=O)NCc1cscn1 ZINC000309464629 658903500 /nfs/dbraw/zinc/90/35/00/658903500.db2.gz RXTOAJCMQNIKDQ-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)N1CCc2ccccc21 ZINC000180267752 658968304 /nfs/dbraw/zinc/96/83/04/658968304.db2.gz CNPGVZHQSZYCNF-BXUZGUMPSA-N 0 0 303.362 0.150 10 0 DCAERN CCS(=O)(=O)CCNC(=O)NCc1cccnc1N(C)C ZINC000069692042 665650622 /nfs/dbraw/zinc/65/06/22/665650622.db2.gz VIPDLNVNKXMKRH-UHFFFAOYSA-N 0 0 314.411 0.382 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000310132975 659279933 /nfs/dbraw/zinc/27/99/33/659279933.db2.gz LCCDDADULRGVIQ-RQJHMYQMSA-N 0 0 303.160 0.611 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000188397772 659335901 /nfs/dbraw/zinc/33/59/01/659335901.db2.gz ILJQSAJVBDRSEM-CYBMUJFWSA-N 0 0 318.421 0.764 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccn(CC(F)F)n1 ZINC000193729636 659459075 /nfs/dbraw/zinc/45/90/75/659459075.db2.gz DQLAAFRSSQQZTN-SNVBAGLBSA-N 0 0 300.309 0.841 10 0 DCAERN Cc1nccn1[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000069819571 665682716 /nfs/dbraw/zinc/68/27/16/665682716.db2.gz CKTCYIUREQTSQH-LBPRGKRZSA-N 0 0 303.366 0.963 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C3(O)CCOCC3)C2)n(C)n1 ZINC000333425953 659776592 /nfs/dbraw/zinc/77/65/92/659776592.db2.gz GWKHAINKKAXMCF-CYBMUJFWSA-N 0 0 322.409 0.355 10 0 DCAERN Cc1cccc(-c2noc(C[C@H]3CS(=O)(=O)CCN3)n2)c1 ZINC000126121711 661445973 /nfs/dbraw/zinc/44/59/73/661445973.db2.gz OFYOJNBUIPJUNL-LBPRGKRZSA-N 0 0 307.375 0.974 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc2c1oc(=O)n2C ZINC000338013029 661528732 /nfs/dbraw/zinc/52/87/32/661528732.db2.gz BLTUVHAHDWYQKG-LLVKDONJSA-N 0 0 321.358 0.991 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)OCC1CC1 ZINC000726172754 661652610 /nfs/dbraw/zinc/65/26/10/661652610.db2.gz LUTPKKZYPIULHP-NSHDSACASA-N 0 0 304.346 0.874 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ncc(Cl)n1C ZINC000726542740 661660409 /nfs/dbraw/zinc/66/04/09/661660409.db2.gz OYYHVGSRPIWJCF-QMMMGPOBSA-N 0 0 302.787 0.611 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CCO)Cc1ccccc1 ZINC000338936413 661808057 /nfs/dbraw/zinc/80/80/57/661808057.db2.gz MTENJARXNVOCGA-CQSZACIVSA-N 0 0 308.403 0.929 10 0 DCAERN C[C@@H](NC(=O)c1cnn(C)c1I)[C@H](C)O ZINC000306671194 662021720 /nfs/dbraw/zinc/02/17/20/662021720.db2.gz FUPGJPVFDNBZMO-RITPCOANSA-N 0 0 323.134 0.524 10 0 DCAERN COc1ccc(-n2cc(C(=O)NC[C@H](C)O)ccc2=O)cc1 ZINC000223316987 662110751 /nfs/dbraw/zinc/11/07/51/662110751.db2.gz QOMNKKCGKIDAGX-NSHDSACASA-N 0 0 302.330 0.957 10 0 DCAERN NC(=O)CNC(=O)c1ccc(CNC(=O)C2=COCCC2)cc1 ZINC000727755495 662237374 /nfs/dbraw/zinc/23/73/74/662237374.db2.gz WQYUJIAZHYIONX-UHFFFAOYSA-N 0 0 317.345 0.212 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(C)=O)CC1(C)C ZINC000341457890 662374410 /nfs/dbraw/zinc/37/44/10/662374410.db2.gz BHDHYISICDYRAF-LBPRGKRZSA-N 0 0 313.423 0.377 10 0 DCAERN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)O)c1 ZINC000344874587 663079828 /nfs/dbraw/zinc/07/98/28/663079828.db2.gz CNRAQXIVRXHQJW-NXEZZACHSA-N 0 0 301.364 0.829 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@@H](C)[C@H](C)O)cc1OC ZINC000344913378 663080713 /nfs/dbraw/zinc/08/07/13/663080713.db2.gz GSNYWXBZMNGUKW-YUMQZZPRSA-N 0 0 307.343 0.891 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCC[C@H](S(N)(=O)=O)C2)[nH]1 ZINC000435458514 663198278 /nfs/dbraw/zinc/19/82/78/663198278.db2.gz PMGGQFWUWIFMKV-VIFPVBQESA-N 0 0 323.378 0.159 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000900439014 663244285 /nfs/dbraw/zinc/24/42/85/663244285.db2.gz NXVVGYVEOYZSBG-YQQAZPJKSA-N 0 0 304.390 0.526 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000900596216 663258793 /nfs/dbraw/zinc/25/87/93/663258793.db2.gz FYJSIDJJABTVCC-UHFFFAOYSA-N 0 0 305.382 0.778 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900602234 663259687 /nfs/dbraw/zinc/25/96/87/663259687.db2.gz PGKYTGUROTZQOV-CYBMUJFWSA-N 0 0 306.410 0.676 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900959266 663297643 /nfs/dbraw/zinc/29/76/43/663297643.db2.gz JTYWXLOKUGEBGV-STQMWFEESA-N 0 0 306.366 0.040 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CCCC[C@@H]2CO)C1=O ZINC000901093250 663317169 /nfs/dbraw/zinc/31/71/69/663317169.db2.gz CCPNVSFIAGHBBY-CHWSQXEVSA-N 0 0 308.378 0.749 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)[S@](=O)C[C@@H](O)CO ZINC000905185458 663536936 /nfs/dbraw/zinc/53/69/36/663536936.db2.gz YWTBGJPFGOPHOD-DQCMRGAYSA-N 0 0 311.403 0.062 10 0 DCAERN O=C(N[C@@H]1C[C@H]1CO)c1cc2ncc(Br)cn2n1 ZINC000907955591 663725273 /nfs/dbraw/zinc/72/52/73/663725273.db2.gz PVWIGBUHJHUVPQ-POYBYMJQSA-N 0 0 311.139 0.602 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C)N1Cc2ccccc2C1=O ZINC000908006235 663727647 /nfs/dbraw/zinc/72/76/47/663727647.db2.gz ZPYJEVYJBJYJCG-WDMOLILDSA-N 0 0 315.373 0.814 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccnc(NC3CCC3)c2)[C@@H]1C(N)=O ZINC000908103996 663733830 /nfs/dbraw/zinc/73/38/30/663733830.db2.gz VNWSTDKSCRVXDU-YGRLFVJLSA-N 0 0 318.377 0.761 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000908111221 663734140 /nfs/dbraw/zinc/73/41/40/663734140.db2.gz RDKHHMTXKFVEEE-MGPQQGTHSA-N 0 0 310.394 0.409 10 0 DCAERN O=C(Cc1cn2ccccc2n1)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909160370 663782821 /nfs/dbraw/zinc/78/28/21/663782821.db2.gz ZYFLPGAVXRYXOT-IOASZLSFSA-N 0 0 311.345 0.564 10 0 DCAERN O=C(COc1ccccc1F)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909148765 663783529 /nfs/dbraw/zinc/78/35/29/663783529.db2.gz MFQFPOOCWIMMEH-XUJVJEKNSA-N 0 0 305.309 0.892 10 0 DCAERN O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@@H](n2ccnn2)C1 ZINC000911822344 664112427 /nfs/dbraw/zinc/11/24/27/664112427.db2.gz PQMIFRVJCYKTKA-OLZOCXBDSA-N 0 0 313.365 0.511 10 0 DCAERN O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCOC[C@@H]1CO ZINC000912413664 664168380 /nfs/dbraw/zinc/16/83/80/664168380.db2.gz HIONHRDQZICRBX-AWEZNQCLSA-N 0 0 310.394 0.245 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000163624936 664241528 /nfs/dbraw/zinc/24/15/28/664241528.db2.gz ZZQXGMAMJJQINW-QWRGUYRKSA-N 0 0 321.381 0.344 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCC[C@@H]1C(F)(F)F ZINC000913019698 664257099 /nfs/dbraw/zinc/25/70/99/664257099.db2.gz HGSOPRGRADGHDK-SECBINFHSA-N 0 0 307.272 0.510 10 0 DCAERN CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000055055940 664362814 /nfs/dbraw/zinc/36/28/14/664362814.db2.gz RKUGEWWTFAEHAW-NSHDSACASA-N 0 0 310.375 0.571 10 0 DCAERN O=C(NCCCN1CCOCC1)c1ccc(-n2cnnc2)nc1 ZINC000223057794 664399207 /nfs/dbraw/zinc/39/92/07/664399207.db2.gz IHNQCXIKXIYUQZ-UHFFFAOYSA-N 0 0 316.365 0.114 10 0 DCAERN CC(C)NC(=O)CCNC(=O)c1nn2c(c1Cl)OCC2 ZINC000223838763 664424013 /nfs/dbraw/zinc/42/40/13/664424013.db2.gz VBZHFICWEJBOBH-UHFFFAOYSA-N 0 0 300.746 0.573 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@@H]1CCCO1 ZINC000058703000 664504902 /nfs/dbraw/zinc/50/49/02/664504902.db2.gz ULTFNPLATNZJKI-JTQLQIEISA-N 0 0 304.302 0.412 10 0 DCAERN CN1C(=O)OC[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000062633768 664622019 /nfs/dbraw/zinc/62/20/19/664622019.db2.gz ONWZBKJZSNNMNT-JTQLQIEISA-N 0 0 307.306 0.015 10 0 DCAERN C[C@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCS1(=O)=O ZINC000151612057 664708879 /nfs/dbraw/zinc/70/88/79/664708879.db2.gz AMWMMPLHHIYNSK-SDDRHHMPSA-N 0 0 312.391 0.014 10 0 DCAERN C[NH+](C)C[C@H]1CN(Cn2ncc(Cl)c(Cl)c2=O)CCO1 ZINC000152971779 664785359 /nfs/dbraw/zinc/78/53/59/664785359.db2.gz UPGCDFBYSZKGBV-VIFPVBQESA-N 0 0 321.208 0.770 10 0 DCAERN C=CC(=O)NCCNC(=O)c1csc(-c2ncccn2)n1 ZINC000732101356 664904075 /nfs/dbraw/zinc/90/40/75/664904075.db2.gz BURQJSHOXKYTME-UHFFFAOYSA-N 0 0 303.347 0.632 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc2c(c1)C(=O)NC2=O)C(=O)N(C)C ZINC000732338969 664913779 /nfs/dbraw/zinc/91/37/79/664913779.db2.gz BGGVNAJCKMYQAW-LBPRGKRZSA-N 0 0 318.329 0.840 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)c1ccccc1F ZINC000175542825 665328853 /nfs/dbraw/zinc/32/88/53/665328853.db2.gz LUVCLMIYMBXBOZ-OLZOCXBDSA-N 0 0 312.366 0.897 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCO[C@@H](C)C3)[C@H]2C1 ZINC000179499332 665361742 /nfs/dbraw/zinc/36/17/42/665361742.db2.gz BCEZDGWEPAHNDB-XGUBFFRZSA-N 0 0 312.410 0.502 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCO[C@H](C)C3)[C@H]2C1 ZINC000179499318 665361801 /nfs/dbraw/zinc/36/18/01/665361801.db2.gz BCEZDGWEPAHNDB-KBXIAJHMSA-N 0 0 312.410 0.502 10 0 DCAERN Cc1nc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)no1 ZINC000179623371 665390082 /nfs/dbraw/zinc/39/00/82/665390082.db2.gz WAQJJJVRJNUYRE-AWEZNQCLSA-N 0 0 316.361 0.869 10 0 DCAERN CCOC(=O)c1cn(CN2CCO[C@@]3(CCOC3)C2)nc1C ZINC000184291897 666194508 /nfs/dbraw/zinc/19/45/08/666194508.db2.gz VYWUMQFBMPEZNI-HNNXBMFYSA-N 0 0 309.366 0.817 10 0 DCAERN CC(C)C[C@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000184891352 666301863 /nfs/dbraw/zinc/30/18/63/666301863.db2.gz HXFPIDKCYHLIEL-NWDGAFQWSA-N 0 0 314.407 0.634 10 0 DCAERN C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2O)cc1 ZINC000076598494 666326594 /nfs/dbraw/zinc/32/65/94/666326594.db2.gz BHEOBNYVXLAPKM-SWLSCSKDSA-N 0 0 316.357 0.914 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCc1cc(Cl)ccn1 ZINC000448329157 666486301 /nfs/dbraw/zinc/48/63/01/666486301.db2.gz IFYXNBKVSUFTDK-HNNXBMFYSA-N 0 0 321.764 0.964 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nccc(C(F)F)n1 ZINC000360705639 666512791 /nfs/dbraw/zinc/51/27/91/666512791.db2.gz RBWOBVKHAAOVQJ-VIFPVBQESA-N 0 0 316.333 0.952 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCC3(C)OCCO3)cnc12 ZINC000185669014 666543706 /nfs/dbraw/zinc/54/37/06/666543706.db2.gz ATIQPLICGBMMFW-UHFFFAOYSA-N 0 0 317.345 0.886 10 0 DCAERN C=C(Br)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186601072 666545871 /nfs/dbraw/zinc/54/58/71/666545871.db2.gz VEJSTWUWFYYORR-UHFFFAOYSA-N 0 0 302.172 0.815 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1cccc(Br)n1 ZINC000700218570 666695902 /nfs/dbraw/zinc/69/59/02/666695902.db2.gz ROTFTNQMUQNKLC-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000733878090 666823436 /nfs/dbraw/zinc/82/34/36/666823436.db2.gz DRFPRTZQMXBIIS-HJTOQOCKSA-N 0 0 314.407 0.046 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000733883319 666823983 /nfs/dbraw/zinc/82/39/83/666823983.db2.gz ZIGUCWAWSADGLI-GSDQLPOLSA-N 0 0 317.436 0.732 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O ZINC000733960942 666832213 /nfs/dbraw/zinc/83/22/13/666832213.db2.gz PBSNNCQYHQMKCX-LJQANCHMSA-N 0 0 322.408 0.042 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000733962647 666832234 /nfs/dbraw/zinc/83/22/34/666832234.db2.gz MTGDZNDVTGUQPY-GTJPDFRWSA-N 0 0 311.407 0.671 10 0 DCAERN CC(=O)N(c1nc(COC(=O)[C@H]2CNC(=O)N2)cs1)C1CC1 ZINC000734189596 666855159 /nfs/dbraw/zinc/85/51/59/666855159.db2.gz QDBUVVBWTNGHOK-SNVBAGLBSA-N 0 0 324.362 0.383 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1nc(CC(=O)OC)cs1 ZINC000734513230 666884324 /nfs/dbraw/zinc/88/43/24/666884324.db2.gz VZVWPAPLPQKSJT-FQEVSTJZSA-N 0 0 319.408 0.749 10 0 DCAERN CCN(C(=O)NCC[S@@](=O)CC)[C@@H](C)CS(C)(=O)=O ZINC000735109746 666950911 /nfs/dbraw/zinc/95/09/11/666950911.db2.gz JKLVIJJUWWCXAV-YPMLDQLKSA-N 0 0 312.457 0.220 10 0 DCAERN CC[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000702400912 666954632 /nfs/dbraw/zinc/95/46/32/666954632.db2.gz JVJHLAOLMNUJLS-KBPBESRZSA-N 0 0 307.394 0.673 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000735112287 666954910 /nfs/dbraw/zinc/95/49/10/666954910.db2.gz UAWRCSKAGAUWCA-MPBGBICISA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000735202614 666968439 /nfs/dbraw/zinc/96/84/39/666968439.db2.gz XPAJFNLRZBQJIS-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC000702789310 666993920 /nfs/dbraw/zinc/99/39/20/666993920.db2.gz DLWSUZNIFKQREQ-KOLCDFICSA-N 0 0 310.354 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccncn2)[C@H](O)C1 ZINC000702797549 666994142 /nfs/dbraw/zinc/99/41/42/666994142.db2.gz QYLJMYCERIXNGK-ZYHUDNBSSA-N 0 0 322.365 0.434 10 0 DCAERN CN(Cc1cnccn1)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000735482377 666994809 /nfs/dbraw/zinc/99/48/09/666994809.db2.gz FTYQEUVMMDGVPE-UHFFFAOYSA-N 0 0 309.329 0.996 10 0 DCAERN Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702834270 667001355 /nfs/dbraw/zinc/00/13/55/667001355.db2.gz WUJPCDGXFSFUJA-WDEREUQCSA-N 0 0 324.381 0.676 10 0 DCAERN C[C@@H](CN[C@@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306773 667080805 /nfs/dbraw/zinc/08/08/05/667080805.db2.gz UHXGDSKCUGNXQH-UWVGGRQHSA-N 0 0 308.400 0.560 10 0 DCAERN Cc1nonc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000119580892 667168252 /nfs/dbraw/zinc/16/82/52/667168252.db2.gz YTLBTJKPFCGXDP-UHFFFAOYSA-N 0 0 301.262 0.020 10 0 DCAERN C[C@@H]1CN(Cn2cnc(-c3ccccc3)n2)C[C@@H](C(N)=O)O1 ZINC000120203810 667280204 /nfs/dbraw/zinc/28/02/04/667280204.db2.gz FGSGCTFLVUXDAB-YPMHNXCESA-N 0 0 301.350 0.477 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NC[C@@H]1CCCC12CC2 ZINC000706206992 667403495 /nfs/dbraw/zinc/40/34/95/667403495.db2.gz LZBZSCVAJCJUKU-NWDGAFQWSA-N 0 0 300.424 0.460 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cccc(Br)n1 ZINC000706798381 667423590 /nfs/dbraw/zinc/42/35/90/667423590.db2.gz DCNFRSOLIYELRA-CBAPKCEASA-N 0 0 301.140 0.724 10 0 DCAERN CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O ZINC000707437993 667438998 /nfs/dbraw/zinc/43/89/98/667438998.db2.gz ZZPNYLHUCHUAQN-UHFFFAOYSA-N 0 0 310.375 0.858 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(Cl)ccn1 ZINC000708233209 667442349 /nfs/dbraw/zinc/44/23/49/667442349.db2.gz CWWOIJGAOQXBJW-UHFFFAOYSA-N 0 0 305.787 0.793 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1cncc(Br)c1 ZINC000711184373 667452310 /nfs/dbraw/zinc/45/23/10/667452310.db2.gz AGBUZPCMUBAFSC-ZCFIWIBFSA-N 0 0 322.184 0.338 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000103147437 667700715 /nfs/dbraw/zinc/70/07/15/667700715.db2.gz GQDZRDSOLNEPFF-AWEZNQCLSA-N 0 0 302.334 0.641 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCOc3ccccc3C2)n1 ZINC000739840870 667721168 /nfs/dbraw/zinc/72/11/68/667721168.db2.gz NSELNQSBHYKRBJ-UHFFFAOYSA-N 0 0 315.329 0.882 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886031725 667725768 /nfs/dbraw/zinc/72/57/68/667725768.db2.gz PDBGLGUVBKTBTD-RKDXNWHRSA-N 0 0 302.318 0.868 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000886059682 667727828 /nfs/dbraw/zinc/72/78/28/667727828.db2.gz SGQMKHOVNVSTKS-ONGXEEELSA-N 0 0 320.353 0.880 10 0 DCAERN COc1cccc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071945 667728292 /nfs/dbraw/zinc/72/82/92/667728292.db2.gz QXPZWZVLYIKWQN-INIZCTEOSA-N 0 0 321.377 0.452 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)[C@@H]1CCOC1=O ZINC000886096511 667731569 /nfs/dbraw/zinc/73/15/69/667731569.db2.gz KJSJZBMXSHEMRU-RWMBFGLXSA-N 0 0 308.357 0.636 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cccnc1C ZINC000886096901 667731803 /nfs/dbraw/zinc/73/18/03/667731803.db2.gz NQGJTOQAOAVFRV-INIZCTEOSA-N 0 0 305.378 0.686 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000741076320 667758241 /nfs/dbraw/zinc/75/82/41/667758241.db2.gz FXKXOTBIQCHOHH-NRFANRHFSA-N 0 0 313.379 0.441 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N(C)C[C@@H]1CCn2ccnc2C1 ZINC000888536816 667763587 /nfs/dbraw/zinc/76/35/87/667763587.db2.gz JXGFJPGLGHSTBP-GFCCVEGCSA-N 0 0 317.397 0.951 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC(CC(=O)OC)CC1 ZINC000741420198 667770320 /nfs/dbraw/zinc/77/03/20/667770320.db2.gz YVMASQPROUIKRW-HXUWFJFHSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000743160177 667803970 /nfs/dbraw/zinc/80/39/70/667803970.db2.gz RIXHMUBMVJTGFA-NRFANRHFSA-N 0 0 309.391 0.863 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207952 667805057 /nfs/dbraw/zinc/80/50/57/667805057.db2.gz ZIDBAXUKILZGIX-NXEZZACHSA-N 0 0 300.384 0.705 10 0 DCAERN O=C(NC1CC1)C1(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000887021213 667838021 /nfs/dbraw/zinc/83/80/21/667838021.db2.gz ZGOAPEHSXSEOHI-VXGBXAGGSA-N 0 0 308.378 0.091 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H](CO)C1CCC1 ZINC000717611765 667873837 /nfs/dbraw/zinc/87/38/37/667873837.db2.gz HAUYNXFSPZJWDM-SSDOTTSWSA-N 0 0 303.160 0.468 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000134032858 668165768 /nfs/dbraw/zinc/16/57/68/668165768.db2.gz WUYNNFPKMIBBIH-VIFPVBQESA-N 0 0 302.327 0.945 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCCF ZINC000125669942 668398622 /nfs/dbraw/zinc/39/86/22/668398622.db2.gz RZAUZHQBSPJOHD-QMMMGPOBSA-N 0 0 300.311 0.626 10 0 DCAERN O=C(OCCn1cnc2ccsc2c1=O)[C@H]1CNC(=O)C1 ZINC000126011994 668463943 /nfs/dbraw/zinc/46/39/43/668463943.db2.gz QKIFXJMWVVBVAN-MRVPVSSYSA-N 0 0 307.331 0.137 10 0 DCAERN CCCC(=O)NCC(=O)OCCn1cnc2ccsc2c1=O ZINC000126108588 668489516 /nfs/dbraw/zinc/48/95/16/668489516.db2.gz OFTDRYIZJRVLGH-UHFFFAOYSA-N 0 0 323.374 0.918 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)CCC2 ZINC000126442527 668595508 /nfs/dbraw/zinc/59/55/08/668595508.db2.gz KPYBEEJZHZYRKF-CQSZACIVSA-N 0 0 308.403 0.891 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(F)cc1F ZINC000126455811 668598394 /nfs/dbraw/zinc/59/83/94/668598394.db2.gz YOBWNUTYZLMBBK-SECBINFHSA-N 0 0 304.318 0.680 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccccc1F ZINC000126454429 668598541 /nfs/dbraw/zinc/59/85/41/668598541.db2.gz HGQJYOUEZXPAPC-LLVKDONJSA-N 0 0 300.355 0.219 10 0 DCAERN CC[C@@H]1CN(Cn2cnc(C(=O)OC)n2)CCN1CC(F)F ZINC000129225941 669381671 /nfs/dbraw/zinc/38/16/71/669381671.db2.gz CIPMNCZEOKPYHH-SNVBAGLBSA-N 0 0 317.340 0.684 10 0 DCAERN CN(Cc1ccc(Cl)nc1)Cn1nnc2c(cnn2C)c1=O ZINC000132293354 669713602 /nfs/dbraw/zinc/71/36/02/669713602.db2.gz GJRBVCPGNMNUMM-UHFFFAOYSA-N 0 0 319.756 0.663 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCN1CCO ZINC000187263580 669718056 /nfs/dbraw/zinc/71/80/56/669718056.db2.gz SBTQWNQJLDMWKP-BBRMVZONSA-N 0 0 317.389 0.705 10 0 DCAERN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000132379504 669718940 /nfs/dbraw/zinc/71/89/40/669718940.db2.gz MFTURNMITCIOGQ-RYUDHWBXSA-N 0 0 322.409 0.513 10 0 DCAERN CCc1ccnc(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000794067265 669777438 /nfs/dbraw/zinc/77/74/38/669777438.db2.gz MXOSLWBPINNUFA-OAHLLOKOSA-N 0 0 301.350 0.886 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000040334408 669820642 /nfs/dbraw/zinc/82/06/42/669820642.db2.gz LCCLYSKTYCIIDO-QWRGUYRKSA-N 0 0 311.407 0.852 10 0 DCAERN C=CCNC(=O)NNC(=O)c1cc(Br)cn1C ZINC000042925863 669830461 /nfs/dbraw/zinc/83/04/61/669830461.db2.gz ODUIOGJWELQWFH-UHFFFAOYSA-N 0 0 301.144 0.918 10 0 DCAERN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000157350204 669921847 /nfs/dbraw/zinc/92/18/47/669921847.db2.gz JUWMNXYDSQURIM-AAEUAGOBSA-N 0 0 304.346 0.761 10 0 DCAERN Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc(Cl)n1 ZINC000157344569 669921851 /nfs/dbraw/zinc/92/18/51/669921851.db2.gz PJTGWNNFHKESQN-UHFFFAOYSA-N 0 0 308.725 0.693 10 0 DCAERN COC(=O)[C@@H]1CN(CCI)C[C@@H](C)O1 ZINC000190938244 669954195 /nfs/dbraw/zinc/95/41/95/669954195.db2.gz CKVPTFRETVNFLQ-SFYZADRCSA-N 0 0 313.135 0.684 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C2CC2)CC1)c1nnnn1C1CC1 ZINC000188947080 670068361 /nfs/dbraw/zinc/06/83/61/670068361.db2.gz YETCTRQNKIQLKT-SNVBAGLBSA-N 0 0 305.386 0.559 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H](C)c2nnnn2C2CC2)c1 ZINC000189060381 670080978 /nfs/dbraw/zinc/08/09/78/670080978.db2.gz PBLPGGDPZWRTHI-JTQLQIEISA-N 0 0 304.358 0.573 10 0 DCAERN COC(C)(C)CCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000189135389 670093237 /nfs/dbraw/zinc/09/32/37/670093237.db2.gz KMDJUMHYHGDPNL-UHFFFAOYSA-N 0 0 308.338 0.488 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000191854147 670112433 /nfs/dbraw/zinc/11/24/33/670112433.db2.gz IBWCNBWGCNFLRO-TUAOUCFPSA-N 0 0 304.412 0.294 10 0 DCAERN NS(=O)(=O)C1(CNc2ccncc2Br)CC1 ZINC000713945742 670171789 /nfs/dbraw/zinc/17/17/89/670171789.db2.gz ZBLCMURHDVUIIW-UHFFFAOYSA-N 0 0 306.185 0.499 10 0 DCAERN Cn1cc(Cn2cc(CCCO)nn2)c(Br)n1 ZINC000714083645 670177626 /nfs/dbraw/zinc/17/76/26/670177626.db2.gz YENOKKUAGRXJCX-UHFFFAOYSA-N 0 0 300.160 0.747 10 0 DCAERN CS(=O)(=O)c1cccnc1N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714247342 670182088 /nfs/dbraw/zinc/18/20/88/670182088.db2.gz LDSAGAVWITXLLB-KYZUINATSA-N 0 0 304.393 0.473 10 0 DCAERN CSCCC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000192615213 670184489 /nfs/dbraw/zinc/18/44/89/670184489.db2.gz MMOXETXPYQAGJZ-UHFFFAOYSA-N 0 0 308.363 0.664 10 0 DCAERN CCCCOCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000079389471 670185557 /nfs/dbraw/zinc/18/55/57/670185557.db2.gz VNBSUOPIDQSLFE-UHFFFAOYSA-N 0 0 308.338 0.490 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(C)cc2Cl)C1 ZINC000714473875 670189870 /nfs/dbraw/zinc/18/98/70/670189870.db2.gz VGLONTCPIOVNMD-UHFFFAOYSA-N 0 0 319.766 0.557 10 0 DCAERN O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccn(CC(F)F)n1 ZINC000192847043 670191315 /nfs/dbraw/zinc/19/13/15/670191315.db2.gz LZVUEVGDVSHDAL-UHFFFAOYSA-N 0 0 316.224 0.505 10 0 DCAERN CO[C@H]1C[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000714565578 670191412 /nfs/dbraw/zinc/19/14/12/670191412.db2.gz JEJCDKOWWRNAKH-XWEPSHTISA-N 0 0 304.393 0.550 10 0 DCAERN C[C@H](OC(=O)c1cn(CC(N)=O)nn1)c1nc2ccccc2[nH]1 ZINC000076907825 670203585 /nfs/dbraw/zinc/20/35/85/670203585.db2.gz YAQZTCLQEHMMJN-QMMMGPOBSA-N 0 0 314.305 0.558 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CCCS1 ZINC000715939812 670226397 /nfs/dbraw/zinc/22/63/97/670226397.db2.gz AXKLVZLDEXPHDN-QWRGUYRKSA-N 0 0 306.453 0.165 10 0 DCAERN CCO[C@H]1C[C@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000193123082 670240934 /nfs/dbraw/zinc/24/09/34/670240934.db2.gz WDGBSBFRMZIYGU-GWCFXTLKSA-N 0 0 318.329 0.658 10 0 DCAERN O=C(CN1CCN(C[C@@H]2CCC=CO2)CC1)N1CCOCC1 ZINC000193631879 670319276 /nfs/dbraw/zinc/31/92/76/670319276.db2.gz BEFFKPQKEIJSRO-HNNXBMFYSA-N 0 0 309.410 0.156 10 0 DCAERN Cc1cc(C(=O)OCC(=O)N2CCOCC2)nn1C(C)(C)C ZINC000194068230 670397406 /nfs/dbraw/zinc/39/74/06/670397406.db2.gz MCNOSZQRWXMMAH-UHFFFAOYSA-N 0 0 309.366 0.962 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000190260531 670403454 /nfs/dbraw/zinc/40/34/54/670403454.db2.gz VYATZCSLIXZIOP-ZDUSSCGKSA-N 0 0 313.361 0.592 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000114546449 670841931 /nfs/dbraw/zinc/84/19/31/670841931.db2.gz DEUQMGUEMVNGAP-ZFWWWQNUSA-N 0 0 308.403 0.932 10 0 DCAERN CC(=O)N(C)CC(=O)OCCCn1nnc(-c2ccccc2)n1 ZINC000108940976 670859446 /nfs/dbraw/zinc/85/94/46/670859446.db2.gz NSFKWCOBEICIPM-UHFFFAOYSA-N 0 0 317.349 0.752 10 0 DCAERN O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000109220346 670903508 /nfs/dbraw/zinc/90/35/08/670903508.db2.gz ULDCJMIKYPJROO-ZIAGYGMSSA-N 0 0 316.357 0.857 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H](c2nc(C3CC3)no2)O1 ZINC000857841937 670954922 /nfs/dbraw/zinc/95/49/22/670954922.db2.gz LTWFDNWXWOPABX-LDYMZIIASA-N 0 0 318.337 0.678 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1c1nccs1 ZINC000110699635 671140993 /nfs/dbraw/zinc/14/09/93/671140993.db2.gz DDILWTPHOLGQNO-SNVBAGLBSA-N 0 0 317.436 0.615 10 0 DCAERN C[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N1CCOCC1 ZINC000116940528 671144948 /nfs/dbraw/zinc/14/49/48/671144948.db2.gz NZTUIGVMJCLDIU-QKVFXAPYSA-N 0 0 319.471 0.554 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)NCCCN1CCCC1=O ZINC000116968934 671148646 /nfs/dbraw/zinc/14/86/46/671148646.db2.gz ICYWXCJHZSGJAV-NRFANRHFSA-N 0 0 317.455 0.845 10 0 DCAERN COC[C@@]1(C(N)=O)CCCN1C(=O)[C@H](C)c1cccc(O)c1 ZINC000823330943 671387266 /nfs/dbraw/zinc/38/72/66/671387266.db2.gz MEPOSFIQGUVLEX-BDJLRTHQSA-N 0 0 306.362 0.989 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000398473605 1158118983 /nfs/dbraw/zinc/11/89/83/1158118983.db2.gz RLGIPXDYVONCAI-MRVPVSSYSA-N 0 0 303.771 0.492 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104910795 672036260 /nfs/dbraw/zinc/03/62/60/672036260.db2.gz FGYQBURJZSNRDD-UONOGXRCSA-N 0 0 308.403 0.628 10 0 DCAERN CCc1nnc(CNCCS(=O)(=O)N2CCCC2)s1 ZINC000392119308 685262289 /nfs/dbraw/zinc/26/22/89/685262289.db2.gz RSGJIVQGKWIIQH-UHFFFAOYSA-N 0 0 304.441 0.616 10 0 DCAERN O=C(CNCc1nc(Br)c[nH]1)NCC(F)(F)F ZINC000393686124 685264194 /nfs/dbraw/zinc/26/41/94/685264194.db2.gz BIGBATKUQQZESW-UHFFFAOYSA-N 0 0 315.093 0.940 10 0 DCAERN C[C@H](CNC(=O)c1cc(Cl)nc(Cl)c1)S(N)(=O)=O ZINC000398306879 685274303 /nfs/dbraw/zinc/27/43/03/685274303.db2.gz XIOPKDKIPCJRQE-RXMQYKEDSA-N 0 0 312.178 0.795 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cnc(N)nc2)C[C@H](CC)O1 ZINC000398460116 685274631 /nfs/dbraw/zinc/27/46/31/685274631.db2.gz YEUCCUCVMGDTMZ-UWVGGRQHSA-N 0 0 300.384 0.467 10 0 DCAERN O=C(NCc1cc(Br)no1)[C@H]1CSC(=O)N1 ZINC000719370924 685309231 /nfs/dbraw/zinc/30/92/31/685309231.db2.gz VSAUCKOQLZVACP-RXMQYKEDSA-N 0 0 306.141 0.878 10 0 DCAERN CO[C@]1(CNCc2ncc(Cl)n2C)CCS(=O)(=O)C1 ZINC000721213257 685318431 /nfs/dbraw/zinc/31/84/31/685318431.db2.gz SIRLKJORXWCLNM-NSHDSACASA-N 0 0 307.803 0.367 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccc(Br)cc1 ZINC000722489168 685319977 /nfs/dbraw/zinc/31/99/77/685319977.db2.gz ILAWKHJKARNMLC-QMMMGPOBSA-N 0 0 307.169 0.631 10 0 DCAERN COCCCN(CCOC)S(=O)(=O)c1c(C)n[nH]c1C ZINC000037901895 685056190 /nfs/dbraw/zinc/05/61/90/685056190.db2.gz WRFUBPWNJBSSCB-UHFFFAOYSA-N 0 0 305.400 0.700 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000176559217 685145631 /nfs/dbraw/zinc/14/56/31/685145631.db2.gz KXKWORIZIGIYIC-AWEZNQCLSA-N 0 0 317.345 0.596 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@@H](Oc3cccnc3)C2)CCO1 ZINC000246636696 685165633 /nfs/dbraw/zinc/16/56/33/685165633.db2.gz KPBRFDBSIOQQJI-DZGCQCFKSA-N 0 0 305.378 0.782 10 0 DCAERN CCCCC[C@@H](C)NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246900771 685167540 /nfs/dbraw/zinc/16/75/40/685167540.db2.gz AIBUWNQXQSECMR-CHWSQXEVSA-N 0 0 319.471 0.695 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)C[S@@](C)=O ZINC000248441780 685174575 /nfs/dbraw/zinc/17/45/75/685174575.db2.gz DSCFCMADLNKVIC-WOOQEGAKSA-N 0 0 314.407 0.795 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCO[C@H](Cn3nc(C)cc3C)C2)C1 ZINC000249364299 685179043 /nfs/dbraw/zinc/17/90/43/685179043.db2.gz OERSETXTKLKARQ-GJZGRUSLSA-N 0 0 322.409 0.406 10 0 DCAERN CO[C@@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CC[C@@H]1C ZINC000249770165 685184185 /nfs/dbraw/zinc/18/41/85/685184185.db2.gz JHBBXVPDHKXSSM-GXTWGEPZSA-N 0 0 303.366 0.743 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000250207322 685184844 /nfs/dbraw/zinc/18/48/44/685184844.db2.gz KBYYMNSOVJPIOJ-NWDGAFQWSA-N 0 0 310.375 0.660 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000399052325 1157521461 /nfs/dbraw/zinc/52/14/61/1157521461.db2.gz LPDBRIIGBODNFQ-QMMMGPOBSA-N 0 0 300.355 0.975 10 0 DCAERN C[C@H](N)c1nc(C(=O)N(C)Cc2nnc3n2CCC3)cs1 ZINC000090950326 1157535419 /nfs/dbraw/zinc/53/54/19/1157535419.db2.gz XQVGGQJYKAFSBL-QMMMGPOBSA-N 0 0 306.395 0.973 10 0 DCAERN CC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccco2)CC1 ZINC000198373281 1157557511 /nfs/dbraw/zinc/55/75/11/1157557511.db2.gz SNWRMEUIFMIPOD-UHFFFAOYSA-N 0 0 321.377 0.917 10 0 DCAERN Cc1ncn(CC(=O)[C@H]2CCOC2)c(=O)c1Br ZINC000158150738 1157862199 /nfs/dbraw/zinc/86/21/99/1157862199.db2.gz LHPYIWIBZZTZGV-QMMMGPOBSA-N 0 0 301.140 0.920 10 0 DCAERN O=C(c1coc(Br)c1)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396793598 1157974713 /nfs/dbraw/zinc/97/47/13/1157974713.db2.gz CJIVSPBHSJZBFE-DTWKUNHWSA-N 0 0 304.140 0.857 10 0 DCAERN C[C@H](CCCCO)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000398428901 1158118636 /nfs/dbraw/zinc/11/86/36/1158118636.db2.gz NBCMIWFFJLCWGU-SNVBAGLBSA-N 0 0 313.441 0.034 10 0 DCAERN O=C(NC[C@@H](O)CO)c1ccc(I)cc1 ZINC000085232339 1158648719 /nfs/dbraw/zinc/64/87/19/1158648719.db2.gz YGZAYERCEXKYPJ-SECBINFHSA-N 0 0 321.114 0.374 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCCOCCCO)cc1 ZINC000356831953 1159101880 /nfs/dbraw/zinc/10/18/80/1159101880.db2.gz JHQVLWRJRLSZMQ-UHFFFAOYSA-N 0 0 308.334 0.343 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 ZINC000027476551 1171412912 /nfs/dbraw/zinc/41/29/12/1171412912.db2.gz PBTRQXRBPQITOB-UHFFFAOYSA-N 0 0 307.325 0.246 10 0 DCAERN Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)cnn1-c1ccc(=O)[nH]n1 ZINC000027891948 1171414391 /nfs/dbraw/zinc/41/43/91/1171414391.db2.gz DUQHVBKHDPHUMP-SKDRFNHKSA-N 0 0 317.349 0.974 10 0 DCAERN COCCN1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000055207908 1171870508 /nfs/dbraw/zinc/87/05/08/1171870508.db2.gz PKODXZUROXPKMM-UHFFFAOYSA-N 0 0 303.366 0.222 10 0 DCAERN C=CCCO[C@@H](C)C(=O)NC(C(=O)OCC)C(=O)OCC ZINC000069333651 1173802003 /nfs/dbraw/zinc/80/20/03/1173802003.db2.gz ALGVRDILABCKRN-JTQLQIEISA-N 0 0 301.339 0.579 10 0 DCAERN Cc1ccn2ncc(C(=O)NCC3(C(N)=O)CCOCC3)c2n1 ZINC000075686222 1173935203 /nfs/dbraw/zinc/93/52/03/1173935203.db2.gz TWZIOKSRLRRQIJ-UHFFFAOYSA-N 0 0 317.349 0.050 10 0 DCAERN CS(=O)(=O)NCCNC(=O)c1sc2ncccc2c1N ZINC000088640651 1175271660 /nfs/dbraw/zinc/27/16/60/1175271660.db2.gz ZAOSUOKCUMMJQR-UHFFFAOYSA-N 0 0 314.392 0.158 10 0 DCAERN C[C@H](NC(=O)CCCCO)c1ccc(S(N)(=O)=O)cc1 ZINC000092171574 1175567782 /nfs/dbraw/zinc/56/77/82/1175567782.db2.gz UKSMQPQTDBNJPH-JTQLQIEISA-N 0 0 300.380 0.674 10 0 DCAERN O=C(COC[C@H]1CCOC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126014148 1177207646 /nfs/dbraw/zinc/20/76/46/1177207646.db2.gz PGUBENGATZJMGY-DZGCQCFKSA-N 0 0 324.421 0.947 10 0 DCAERN O=C(CN1C(=O)CCC1=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219806047 1180396148 /nfs/dbraw/zinc/39/61/48/1180396148.db2.gz RYJCRCXCNPDNQD-ZDUSSCGKSA-N 0 0 302.330 0.393 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1ccc(Cl)cc1N ZINC000230977992 1180554691 /nfs/dbraw/zinc/55/46/91/1180554691.db2.gz MHIOSGNKAXXUHP-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245751952 1182931906 /nfs/dbraw/zinc/93/19/06/1182931906.db2.gz XVJUNEKLASFHNT-UWVGGRQHSA-N 0 0 324.347 0.774 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000170814982 1183687303 /nfs/dbraw/zinc/68/73/03/1183687303.db2.gz VKEFIVCEDJUPQG-VYROHLMNSA-N 0 0 316.361 0.949 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCOC[C@H]1CCOC1 ZINC000172561565 1183859682 /nfs/dbraw/zinc/85/96/82/1183859682.db2.gz WHTQZXLPVSEJMV-CYBMUJFWSA-N 0 0 318.377 0.991 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000176942727 1184224045 /nfs/dbraw/zinc/22/40/45/1184224045.db2.gz WWDOWFZVRJMAPQ-LSDHHAIUSA-N 0 0 316.361 0.838 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC1=O ZINC000194140880 1188129037 /nfs/dbraw/zinc/12/90/37/1188129037.db2.gz FHLPFDQMPDYTTQ-WDEREUQCSA-N 0 0 302.396 0.286 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307895121 1190384006 /nfs/dbraw/zinc/38/40/06/1190384006.db2.gz OTOOFNSJEWHBME-MRVPVSSYSA-N 0 0 300.380 0.562 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907077 1190384846 /nfs/dbraw/zinc/38/48/46/1190384846.db2.gz SNVHOVQTQSQBHN-RLBGWGEZSA-N 0 0 318.420 0.169 10 0 DCAERN CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)[C@@H](C)O ZINC000307908440 1190385320 /nfs/dbraw/zinc/38/53/20/1190385320.db2.gz BJMKQJBSLLVMBZ-PRHODGIISA-N 0 0 300.380 0.562 10 0 DCAERN O=C(c1ccnc(Br)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC000316633475 1190414661 /nfs/dbraw/zinc/41/46/61/1190414661.db2.gz DRZXUZGKQPYKRW-BDAKNGLRSA-N 0 0 301.140 0.269 10 0 DCAERN O=C(N[C@@H]1COC[C@@H]1O)c1cc(Cl)ncc1Br ZINC000323584778 1190446511 /nfs/dbraw/zinc/44/65/11/1190446511.db2.gz OALMPALBIOWWFB-SFYZADRCSA-N 0 0 321.558 0.987 10 0 DCAERN Cn1cc(Br)c(CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC000393627659 1190701937 /nfs/dbraw/zinc/70/19/37/1190701937.db2.gz AWGLDGCGEYYFFJ-SSDOTTSWSA-N 0 0 315.171 0.325 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396929547 1190703152 /nfs/dbraw/zinc/70/31/52/1190703152.db2.gz OHLGKZSRNSNOPC-NXEZZACHSA-N 0 0 315.167 0.659 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1cnc(Cl)c(F)c1 ZINC000404219854 747442273 /nfs/dbraw/zinc/44/22/73/747442273.db2.gz KDRCECCTGGTZNA-NSHDSACASA-N 0 0 324.761 0.694 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@H]1C(=O)NCC[C@H]1C ZINC000588617599 747555208 /nfs/dbraw/zinc/55/52/08/747555208.db2.gz OYASKCOIUTUTDF-ZETOZRRWSA-N 0 0 319.409 0.329 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cccc(N3CCNC3=O)c2C)C1 ZINC000191480081 766006450 /nfs/dbraw/zinc/00/64/50/766006450.db2.gz MCMLRKFMPSBWJU-UHFFFAOYSA-N 0 0 316.361 0.485 10 0 DCAERN Cc1nccn1CCCCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000130469014 769095210 /nfs/dbraw/zinc/09/52/10/769095210.db2.gz ICMUBXGNKBCUJE-CYBMUJFWSA-N 0 0 313.423 0.913 10 0 DCAERN Cn1cnnc1SCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000150753735 771072168 /nfs/dbraw/zinc/07/21/68/771072168.db2.gz OMAGTGDLQNKIMV-UHFFFAOYSA-N 0 0 316.350 0.522 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(F)ccc2N)C1 ZINC000400130713 774020563 /nfs/dbraw/zinc/02/05/63/774020563.db2.gz FXIBGQWUFOSYFF-SECBINFHSA-N 0 0 301.343 0.172 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1F ZINC000401805550 774066709 /nfs/dbraw/zinc/06/67/09/774066709.db2.gz BORRTMXJEVOCJG-QMMMGPOBSA-N 0 0 308.356 0.028 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccnc2F)C[C@H](C)S1(=O)=O ZINC000401873829 774069611 /nfs/dbraw/zinc/06/96/11/774069611.db2.gz JKTUHSIXVUZSRE-IUCAKERBSA-N 0 0 322.383 0.417 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC=C(Br)C1 ZINC000404394715 774131718 /nfs/dbraw/zinc/13/17/18/774131718.db2.gz BFEJSJINNGEKRV-UHFFFAOYSA-N 0 0 311.201 0.548 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCC(F)(F)CC1 ZINC000405087860 774148996 /nfs/dbraw/zinc/14/89/96/774148996.db2.gz UKVCWCWWEZVCFK-UHFFFAOYSA-N 0 0 300.327 0.457 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cc(F)c(Br)cc1N ZINC000310883599 774384019 /nfs/dbraw/zinc/38/40/19/774384019.db2.gz VSUWSYJMMZZNIT-ZCFIWIBFSA-N 0 0 321.146 0.908 10 0 DCAERN NC(=O)C1CN(C(=O)c2cc(F)c(Br)cc2N)C1 ZINC000382000414 948731985 /nfs/dbraw/zinc/73/19/85/948731985.db2.gz QQZIVVTZIXGQJJ-UHFFFAOYSA-N 0 0 316.130 0.728 10 0 DCAERN COC[C@@]1(C(=O)[O-])CC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000696832617 954819052 /nfs/dbraw/zinc/81/90/52/954819052.db2.gz CQFYGLCVSRZROW-DGCLKSJQSA-N 0 0 305.396 0.234 10 0 DCAERN COC(=O)[C@H](C)CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000181228604 199267706 /nfs/dbraw/zinc/26/77/06/199267706.db2.gz MGMXVORZAVXGTI-VXGBXAGGSA-N 0 0 308.382 0.683 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000082976448 185210264 /nfs/dbraw/zinc/21/02/64/185210264.db2.gz RDBRZHGRMOOHAJ-WDEREUQCSA-N 0 0 308.386 0.765 10 0 DCAERN CC[C@@H](CO)N1CCN(c2nc(CCOC)ns2)CC1 ZINC000176941720 529510074 /nfs/dbraw/zinc/51/00/74/529510074.db2.gz BGTOLKZKDUQLBL-NSHDSACASA-N 0 0 300.428 0.620 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CCCN(C)C(=O)C2)CC1=O ZINC000189789048 282191481 /nfs/dbraw/zinc/19/14/81/282191481.db2.gz LRQUWRSDCMJXBP-GFCCVEGCSA-N 0 0 309.410 0.714 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1COCCO1 ZINC000089990111 185274898 /nfs/dbraw/zinc/27/48/98/185274898.db2.gz RIHLANGVFXIBNW-MRVPVSSYSA-N 0 0 303.112 0.491 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cccc(OC)c1F ZINC000090170469 185284750 /nfs/dbraw/zinc/28/47/50/185284750.db2.gz IASDFPPBFVITNF-UHFFFAOYSA-N 0 0 304.343 0.503 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000092771181 185339352 /nfs/dbraw/zinc/33/93/52/185339352.db2.gz QKQDRXNCODRPOI-YPMHNXCESA-N 0 0 311.407 0.725 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181405131 199291547 /nfs/dbraw/zinc/29/15/47/199291547.db2.gz GHGWLWPWABWBJK-LLVKDONJSA-N 0 0 322.413 0.542 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178413093 529749761 /nfs/dbraw/zinc/74/97/61/529749761.db2.gz JNRKZTBUYLSHQP-CMPLNLGQSA-N 0 0 322.413 0.745 10 0 DCAERN O=S(=O)(NCc1nnc2ccccn21)N1CCCCCC1 ZINC000097028581 185399070 /nfs/dbraw/zinc/39/90/70/185399070.db2.gz SFQOHSXYDAOUNL-UHFFFAOYSA-N 0 0 309.395 0.940 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2cc(C(N)=O)co2)cn1 ZINC000189218163 529811880 /nfs/dbraw/zinc/81/18/80/529811880.db2.gz QGSOBYLJGRBPPE-UHFFFAOYSA-N 0 0 304.310 0.556 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000186868563 529853662 /nfs/dbraw/zinc/85/36/62/529853662.db2.gz FONCELLGYKUZCB-UHFFFAOYSA-N 0 0 319.409 0.859 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000179273474 529902899 /nfs/dbraw/zinc/90/28/99/529902899.db2.gz XPYPZTXFGFDDDD-UPJWGTAASA-N 0 0 312.414 0.016 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000171488904 529903266 /nfs/dbraw/zinc/90/32/66/529903266.db2.gz VOGDLCSOQNYNOQ-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN CNC(=O)[C@@H]1CN(c2ncnc3cc(F)c(OC)cc32)CCO1 ZINC000302385046 529910842 /nfs/dbraw/zinc/91/08/42/529910842.db2.gz DZJBPEMUERVIQG-ZDUSSCGKSA-N 0 0 320.324 0.729 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(C)C)cc1 ZINC000178742686 529943997 /nfs/dbraw/zinc/94/39/97/529943997.db2.gz BRYWIZGAAQQXTR-AWEZNQCLSA-N 0 0 314.407 0.732 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(c2nc(C)ns2)CC1 ZINC000301499833 529951504 /nfs/dbraw/zinc/95/15/04/529951504.db2.gz AJCZMPKACHRURK-UHFFFAOYSA-N 0 0 318.406 0.928 10 0 DCAERN CCc1nnc(CN2CCN(c3ccc4nncn4n3)CC2)[nH]1 ZINC000181687004 199338266 /nfs/dbraw/zinc/33/82/66/199338266.db2.gz KDYCOMASCMDZPU-UHFFFAOYSA-N 0 0 313.369 0.127 10 0 DCAERN COc1ccc([C@@H](C)C(=O)N2CCN(CC(N)=O)CC2)cc1 ZINC000107572136 185484404 /nfs/dbraw/zinc/48/44/04/185484404.db2.gz JJJMFHOOMVSPBI-GFCCVEGCSA-N 0 0 305.378 0.428 10 0 DCAERN CCC1(CC)CN(C[C@@H]2CCS(=O)(=O)C2)CCS1(=O)=O ZINC000408400075 282373238 /nfs/dbraw/zinc/37/32/38/282373238.db2.gz OEQWMWGWUDSTDR-LBPRGKRZSA-N 0 0 323.480 0.710 10 0 DCAERN c1cnn(C[C@@H]2CN(c3nnnn3-c3ccccc3)CCO2)c1 ZINC000108949251 185542586 /nfs/dbraw/zinc/54/25/86/185542586.db2.gz KCXYNSZMEUVADZ-AWEZNQCLSA-N 0 0 311.349 0.764 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CCC1=O ZINC000279809992 215166340 /nfs/dbraw/zinc/16/63/40/215166340.db2.gz AKAAXHDKZIKAAE-SECBINFHSA-N 0 0 311.363 0.928 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000083737091 192380508 /nfs/dbraw/zinc/38/05/08/192380508.db2.gz CFUNXXUQLXRCBW-CMPLNLGQSA-N 0 0 318.381 0.484 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cccc4c3OCCO4)CC[C@@H]21 ZINC000286334327 282653722 /nfs/dbraw/zinc/65/37/22/282653722.db2.gz OLSLMXHTGULGLX-NEPJUHHUSA-N 0 0 317.345 0.696 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)N2CCN(C3CC3)CC2)n1 ZINC000173285401 186172348 /nfs/dbraw/zinc/17/23/48/186172348.db2.gz PNZJRJZMAPMCLW-UHFFFAOYSA-N 0 0 307.354 0.368 10 0 DCAERN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1nc(N)nc(N)n1 ZINC000173298227 186173985 /nfs/dbraw/zinc/17/39/85/186173985.db2.gz COUXMWAYXITAGH-PWSUYJOCSA-N 0 0 300.366 0.998 10 0 DCAERN CC[C@H](O)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000177851382 186193383 /nfs/dbraw/zinc/19/33/83/186193383.db2.gz UGLQLYWOFWENCG-STQMWFEESA-N 0 0 307.398 0.906 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000179686008 186205362 /nfs/dbraw/zinc/20/53/62/186205362.db2.gz ITELCGFYRRYKTF-LURJTMIESA-N 0 0 310.784 0.276 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1Cl ZINC000179686397 186205368 /nfs/dbraw/zinc/20/53/68/186205368.db2.gz BKNKQZOHMVVEQV-LLVKDONJSA-N 0 0 318.782 0.523 10 0 DCAERN COC(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181883658 186214843 /nfs/dbraw/zinc/21/48/43/186214843.db2.gz YHQLGDOIDGGBHI-UHFFFAOYSA-N 0 0 312.269 0.942 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N[C@H]1CCc2ccccc2C1 ZINC000265135259 186335525 /nfs/dbraw/zinc/33/55/25/186335525.db2.gz ZXKPMURYLFVSFL-AWEZNQCLSA-N 0 0 315.373 0.992 10 0 DCAERN C[C@H]1CN(c2ncncc2Br)CCS1(=O)=O ZINC000268857981 290916082 /nfs/dbraw/zinc/91/60/82/290916082.db2.gz ZTDXPUSITNCXKU-ZETCQYMHSA-N 0 0 306.185 0.862 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCc2ccccc2)C1 ZINC000172048629 198031536 /nfs/dbraw/zinc/03/15/36/198031536.db2.gz KUULEMLRQZZZEE-CYBMUJFWSA-N 0 0 311.407 0.562 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000408101891 290933630 /nfs/dbraw/zinc/93/36/30/290933630.db2.gz VVRXKBPDGZHUNG-VOMCLLRMSA-N 0 0 317.407 0.611 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CN1C(=O)NC2(CCC2)C1=O ZINC000280097645 215373896 /nfs/dbraw/zinc/37/38/96/215373896.db2.gz MWRPQDCVCXFANY-CMPLNLGQSA-N 0 0 304.350 0.972 10 0 DCAERN COC(=O)c1cnn2c1ncc(C(=O)OC)c2/C=C/N(C)C ZINC000072417333 191156149 /nfs/dbraw/zinc/15/61/49/191156149.db2.gz KIVAYLLNTRWNPL-AATRIKPKSA-N 0 0 304.306 0.835 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cc[nH]n1 ZINC000172801555 198151309 /nfs/dbraw/zinc/15/13/09/198151309.db2.gz NDBUMIHCNNNGNE-CQSZACIVSA-N 0 0 300.362 0.768 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172945789 198169798 /nfs/dbraw/zinc/16/97/98/198169798.db2.gz WQYZMJTUDPRICH-OLZOCXBDSA-N 0 0 304.346 0.814 10 0 DCAERN CCN(C)S(=O)(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072710670 191219914 /nfs/dbraw/zinc/21/99/14/191219914.db2.gz HNWMXQSHZAHSGV-CYBMUJFWSA-N 0 0 311.407 0.920 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)Cc3cc[nH]n3)CC2)n1 ZINC000173155541 198190056 /nfs/dbraw/zinc/19/00/56/198190056.db2.gz BVDQLCBADJNBTR-UHFFFAOYSA-N 0 0 316.365 0.490 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)n[nH]2)ncn1 ZINC000173446775 198215807 /nfs/dbraw/zinc/21/58/07/198215807.db2.gz MKYKPZPMUMPTHR-NSHDSACASA-N 0 0 315.381 0.949 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)NCc2noc(C)n2)c1 ZINC000173547297 198225208 /nfs/dbraw/zinc/22/52/08/198225208.db2.gz AKNPFJUUYDMKKU-LBPRGKRZSA-N 0 0 306.322 0.919 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000173978447 198275364 /nfs/dbraw/zinc/27/53/64/198275364.db2.gz OCNALOZMXHQCPV-UHFFFAOYSA-N 0 0 322.390 0.614 10 0 DCAERN Cc1cnn(CC[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000174086615 198290435 /nfs/dbraw/zinc/29/04/35/198290435.db2.gz ZSARXNBSICQHPE-CYBMUJFWSA-N 0 0 302.382 0.710 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC000174327175 198319969 /nfs/dbraw/zinc/31/99/69/198319969.db2.gz GDIIMONRFZUIHZ-GHMZBOCLSA-N 0 0 318.377 0.383 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000175411457 198471831 /nfs/dbraw/zinc/47/18/31/198471831.db2.gz ITJLINDYDJJBFW-JTQLQIEISA-N 0 0 309.316 0.750 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C(C)(C)C1=O ZINC000333610529 282943798 /nfs/dbraw/zinc/94/37/98/282943798.db2.gz GROXWCQSYMDPKO-KBPBESRZSA-N 0 0 323.437 0.709 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc2c(c1)NC(=O)CO2 ZINC000177523316 295876693 /nfs/dbraw/zinc/87/66/93/295876693.db2.gz JOWRMPBIQMVYGU-JTQLQIEISA-N 0 0 313.317 0.874 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000188304872 283072618 /nfs/dbraw/zinc/07/26/18/283072618.db2.gz OBKMZZAVNMMHBH-SDDRHHMPSA-N 0 0 304.412 0.847 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CNC(=O)C1 ZINC000408120452 295895212 /nfs/dbraw/zinc/89/52/12/295895212.db2.gz WNWCHBNNQIZMBI-KOLCDFICSA-N 0 0 308.359 0.157 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1c1nncn1C ZINC000408027830 283073401 /nfs/dbraw/zinc/07/34/01/283073401.db2.gz PCAQRZFYQVEGKA-MNOVXSKESA-N 0 0 317.415 0.164 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)NCC(=O)NCC1CC1 ZINC000183787290 199642981 /nfs/dbraw/zinc/64/29/81/199642981.db2.gz MBLWBWONNLRPNK-UHFFFAOYSA-N 0 0 320.393 0.766 10 0 DCAERN CN1CC[C@H](C(=O)N2CC[C@H](C(N)=O)c3ccccc32)CC1=O ZINC000119648243 283111141 /nfs/dbraw/zinc/11/11/41/283111141.db2.gz YOEIFSWNGBQTFS-AAEUAGOBSA-N 0 0 315.373 0.861 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000175194608 283123080 /nfs/dbraw/zinc/12/30/80/283123080.db2.gz OJOZHBPNXJWQPO-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN CN(CCc1ccccn1)S(=O)(=O)CCCS(C)(=O)=O ZINC000078806682 191937969 /nfs/dbraw/zinc/93/79/69/191937969.db2.gz ZTNNQDWBMYHDSM-UHFFFAOYSA-N 0 0 320.436 0.320 10 0 DCAERN CN1C(=O)c2cccc3c(N(CCO)CCO)ccc(c32)C1=O ZINC000005319711 181228948 /nfs/dbraw/zinc/22/89/48/181228948.db2.gz DMTODFXKQOKBFT-UHFFFAOYSA-N 0 0 314.341 0.857 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000171238637 291089061 /nfs/dbraw/zinc/08/90/61/291089061.db2.gz RZBGFJYXLACVDY-TZMCWYRMSA-N 0 0 306.362 0.738 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000122250871 291092167 /nfs/dbraw/zinc/09/21/67/291092167.db2.gz GLIGEKGVJGCJAP-FZMZJTMJSA-N 0 0 308.309 0.634 10 0 DCAERN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186932516 295922732 /nfs/dbraw/zinc/92/27/32/295922732.db2.gz XQGLUIHAFUWWEK-CABCVRRESA-N 0 0 322.324 0.706 10 0 DCAERN Cc1nc(SCC(=O)N2CC[C@](O)(C(F)(F)F)C2)n[nH]1 ZINC000081442990 192267177 /nfs/dbraw/zinc/26/71/77/192267177.db2.gz ZSIMJHJUQITLHR-SECBINFHSA-N 0 0 310.301 0.731 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(C)n3)C2)c1 ZINC000177670852 198759002 /nfs/dbraw/zinc/75/90/02/198759002.db2.gz DCMGNTHAKJRKRK-GFCCVEGCSA-N 0 0 316.365 0.727 10 0 DCAERN CN1CCc2nc(NC(=O)[C@@H]3CCc4n[nH]nc4C3)sc2C1 ZINC000170240903 283175715 /nfs/dbraw/zinc/17/57/15/283175715.db2.gz JRCUHXRBSWPVSX-MRVPVSSYSA-N 0 0 318.406 0.993 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000177791702 198777691 /nfs/dbraw/zinc/77/76/91/198777691.db2.gz BSUTWXSXHFYNOQ-MNOVXSKESA-N 0 0 317.349 0.339 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)N[C@H]1CCCC[C@@H]1CO ZINC000179252485 199005747 /nfs/dbraw/zinc/00/57/47/199005747.db2.gz QSEVXYDGOIFVTL-HIFRSBDPSA-N 0 0 320.389 0.849 10 0 DCAERN COc1ccc(C[C@H](C)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000179424829 199032719 /nfs/dbraw/zinc/03/27/19/199032719.db2.gz RFOGCCQDMIINBJ-GXFFZTMASA-N 0 0 304.346 0.795 10 0 DCAERN CC(C)c1nnc(CN[C@@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180077142 199115147 /nfs/dbraw/zinc/11/51/47/199115147.db2.gz VRZQBGWQPFRABZ-CQSZACIVSA-N 0 0 323.441 0.912 10 0 DCAERN Cc1cc(C(=O)NCCNC(=O)N(C)C)c2cnn(C)c2n1 ZINC000180645160 199190036 /nfs/dbraw/zinc/19/00/36/199190036.db2.gz JOAUUNFGYNIGTN-UHFFFAOYSA-N 0 0 304.354 0.278 10 0 DCAERN Cc1nc(CNC(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)no1 ZINC000180628286 199187322 /nfs/dbraw/zinc/18/73/22/199187322.db2.gz IFEWDMIVGLBKJP-UHFFFAOYSA-N 0 0 315.333 0.625 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000180776781 199208072 /nfs/dbraw/zinc/20/80/72/199208072.db2.gz DLGOTIWQURZQGC-LLVKDONJSA-N 0 0 321.381 0.614 10 0 DCAERN Cn1cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cnc21 ZINC000180845084 199216915 /nfs/dbraw/zinc/21/69/15/199216915.db2.gz XISGVODEHKKBHW-GHMZBOCLSA-N 0 0 301.350 0.742 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000155747404 237045499 /nfs/dbraw/zinc/04/54/99/237045499.db2.gz KBONEVALZKXYJP-STQMWFEESA-N 0 0 314.389 0.948 10 0 DCAERN C[C@H]1OCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H]1C ZINC000166973441 237120598 /nfs/dbraw/zinc/12/05/98/237120598.db2.gz QXNIDIUZTHITRL-WDEREUQCSA-N 0 0 317.345 0.326 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCn1cccn1 ZINC000173138660 237156153 /nfs/dbraw/zinc/15/61/53/237156153.db2.gz YWEXDTZGXMGMQH-NEPJUHHUSA-N 0 0 302.400 0.169 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000175320295 237182224 /nfs/dbraw/zinc/18/22/24/237182224.db2.gz CIYITOPSHAIVIU-NSHDSACASA-N 0 0 324.468 0.378 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CCCN3CCOCC3)CCO2)n1 ZINC000173696232 237164944 /nfs/dbraw/zinc/16/49/44/237164944.db2.gz PZOZNZQMSGEMLS-QGZVFWFLSA-N 0 0 322.453 0.923 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000173837389 237165588 /nfs/dbraw/zinc/16/55/88/237165588.db2.gz XXLBHUKTGQVUIE-JTQLQIEISA-N 0 0 317.329 0.742 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176076154 237191837 /nfs/dbraw/zinc/19/18/37/237191837.db2.gz CSGBKRIHHJKZON-APPZFPTMSA-N 0 0 318.317 0.128 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)O1 ZINC000178019128 237219739 /nfs/dbraw/zinc/21/97/39/237219739.db2.gz NWXOYFNTCHBLDH-JSGCOSHPSA-N 0 0 303.362 0.934 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(Br)c1 ZINC000089752682 192859067 /nfs/dbraw/zinc/85/90/67/192859067.db2.gz PYUXLRXMCSKDBP-SECBINFHSA-N 0 0 311.135 0.984 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000176596475 237204176 /nfs/dbraw/zinc/20/41/76/237204176.db2.gz FIJQITPHNPDVMC-JTQLQIEISA-N 0 0 321.377 0.928 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000187284090 200088113 /nfs/dbraw/zinc/08/81/13/200088113.db2.gz ABBAKUQMUZLRHG-NSHDSACASA-N 0 0 323.368 0.923 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)CCN1CCO ZINC000187722917 237353134 /nfs/dbraw/zinc/35/31/34/237353134.db2.gz OAOGDLXRKYTUII-OAHLLOKOSA-N 0 0 305.422 0.643 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187709032 237356485 /nfs/dbraw/zinc/35/64/85/237356485.db2.gz QQEAJQFQOMRWAJ-MRXNPFEDSA-N 0 0 319.449 0.952 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cc(F)ccc2F)CCN1CCO ZINC000187658268 200140992 /nfs/dbraw/zinc/14/09/92/200140992.db2.gz QSVNBLQSGSXXDV-LLVKDONJSA-N 0 0 313.348 0.902 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C[C@H](C)O)[C@H](C)CO)cnc12 ZINC000189265788 237395809 /nfs/dbraw/zinc/39/58/09/237395809.db2.gz WZSBINAHELEYQX-NEPJUHHUSA-N 0 0 319.361 0.207 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H](C)O1 ZINC000188191478 200206500 /nfs/dbraw/zinc/20/65/00/200206500.db2.gz OBHVICTWWDNWNC-JQWIXIFHSA-N 0 0 304.350 0.844 10 0 DCAERN COC[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@@H](C)O1 ZINC000188268530 200219637 /nfs/dbraw/zinc/21/96/37/200219637.db2.gz CMEWIDWVLLSROI-KGLIPLIRSA-N 0 0 320.389 0.987 10 0 DCAERN CC[C@H]1CN(CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708973 291207971 /nfs/dbraw/zinc/20/79/71/291207971.db2.gz OYWBCOFUAIJGQS-NSHDSACASA-N 0 0 321.368 0.327 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(-n2ccnn2)cc1 ZINC000153984333 291210124 /nfs/dbraw/zinc/21/01/24/291210124.db2.gz KKRUJPNVBLPXJG-MNOVXSKESA-N 0 0 322.390 0.878 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154465480 291214289 /nfs/dbraw/zinc/21/42/89/291214289.db2.gz UCWBZOWTCYJYEQ-UKRRQHHQSA-N 0 0 321.425 0.666 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)c(=O)[nH]c1C ZINC000155106750 291218063 /nfs/dbraw/zinc/21/80/63/291218063.db2.gz LWAQXALCUMNODP-SNVBAGLBSA-N 0 0 318.333 0.414 10 0 DCAERN CC(C)c1cccc(S(=O)(=O)NCCOCC(N)=O)c1 ZINC000156025547 291223243 /nfs/dbraw/zinc/22/32/43/291223243.db2.gz CLIYKHLKQHSGIY-UHFFFAOYSA-N 0 0 300.380 0.590 10 0 DCAERN CC(=O)c1c(C)cccc1NC(=O)c1cn(CC(N)=O)nn1 ZINC000157614512 291229228 /nfs/dbraw/zinc/22/92/28/291229228.db2.gz NTMBUNYJMRMCHJ-UHFFFAOYSA-N 0 0 301.306 0.527 10 0 DCAERN CCOC(=O)CCC(=O)NC(=S)Nc1ccc(C(N)=O)cc1 ZINC000005979612 181303514 /nfs/dbraw/zinc/30/35/14/181303514.db2.gz XEINWEJKVZGPTE-UHFFFAOYSA-N 0 0 323.374 0.942 10 0 DCAERN CC[C@H](CCO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000158985962 291233362 /nfs/dbraw/zinc/23/33/62/291233362.db2.gz RAABVMQOKBPJST-UMVBOHGHSA-N 0 0 305.378 0.878 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCc2cccs2)cn1 ZINC000162890620 291245084 /nfs/dbraw/zinc/24/50/84/291245084.db2.gz NJCLGVKFFBNJSX-UHFFFAOYSA-N 0 0 305.363 0.859 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCN1C ZINC000276783943 238323585 /nfs/dbraw/zinc/32/35/85/238323585.db2.gz VAVFWKHGFVLJJP-GJZGRUSLSA-N 0 0 314.389 0.969 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1O ZINC000299909696 291251278 /nfs/dbraw/zinc/25/12/78/291251278.db2.gz YBORHRWUGGRVMB-CMPLNLGQSA-N 0 0 313.375 0.849 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000122394072 545751585 /nfs/dbraw/zinc/75/15/85/545751585.db2.gz WJRLUNLSFOWPTF-OLZOCXBDSA-N 0 0 314.411 0.814 10 0 DCAERN O=C([C@@H]1CCCn2ccnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000176459416 296035132 /nfs/dbraw/zinc/03/51/32/296035132.db2.gz SLGQMWDZEFLNGB-UONOGXRCSA-N 0 0 304.394 0.694 10 0 DCAERN C[C@@]1(F)CNCCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC000566009078 291264041 /nfs/dbraw/zinc/26/40/41/291264041.db2.gz ACOUUSNVXSIBFD-CQSZACIVSA-N 0 0 304.329 0.436 10 0 DCAERN C[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000408390164 296039154 /nfs/dbraw/zinc/03/91/54/296039154.db2.gz RMFDNYUJPPFGSD-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccnc2N2CCOCC2)CCC1=O ZINC000281598635 216409865 /nfs/dbraw/zinc/40/98/65/216409865.db2.gz NSKKMVPHLJLSJE-GFCCVEGCSA-N 0 0 303.362 0.969 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cncc3ncnn32)CC1)C1CC1 ZINC000275494987 212371553 /nfs/dbraw/zinc/37/15/53/212371553.db2.gz AUHUKEBATFHQSX-NSHDSACASA-N 0 0 300.366 0.819 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1cc[nH]n1 ZINC000275482087 212362987 /nfs/dbraw/zinc/36/29/87/212362987.db2.gz AAOSENZBSQODOR-STQMWFEESA-N 0 0 320.372 0.828 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)CC1CCOCC1 ZINC000408235969 291327377 /nfs/dbraw/zinc/32/73/77/291327377.db2.gz KXWTZBSCRWTBRG-LBPRGKRZSA-N 0 0 305.396 0.770 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000408334526 291341814 /nfs/dbraw/zinc/34/18/14/291341814.db2.gz BFSBEZSMBCDYNX-VXGBXAGGSA-N 0 0 317.407 0.505 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H](O)C2)cc1 ZINC000439250061 240469636 /nfs/dbraw/zinc/46/96/36/240469636.db2.gz TUJHSRRMLVOABF-NWDGAFQWSA-N 0 0 312.391 0.501 10 0 DCAERN CCCn1ncnc1[C@@H](C)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000091693867 193092545 /nfs/dbraw/zinc/09/25/45/193092545.db2.gz STXLIBSSQRAHNL-LLVKDONJSA-N 0 0 322.413 0.063 10 0 DCAERN C[C@H](c1ccccn1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091702351 193094362 /nfs/dbraw/zinc/09/43/62/193094362.db2.gz YQMJGBKOCAGVDO-OLZOCXBDSA-N 0 0 304.394 0.798 10 0 DCAERN COc1ccccc1C[C@@H](C)CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091780572 193106717 /nfs/dbraw/zinc/10/67/17/193106717.db2.gz PNWKOXSJJUZDHC-OCCSQVGLSA-N 0 0 320.389 0.977 10 0 DCAERN COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783038 193106788 /nfs/dbraw/zinc/10/67/88/193106788.db2.gz XKSTZBJHRDANCI-DGCLKSJQSA-N 0 0 306.362 0.902 10 0 DCAERN 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/nfs/dbraw/zinc/11/89/86/257118986.db2.gz FAANPDSOCRSNNB-MCIONIFRSA-N 0 0 302.378 0.844 10 0 DCAERN CCNC(=O)N1CC[C@H]2CC(=O)N(CCNC(C)=O)CC[C@H]2C1 ZINC000015672864 257214998 /nfs/dbraw/zinc/21/49/98/257214998.db2.gz OYSAOMLSZBBTNF-KBPBESRZSA-N 0 0 324.425 0.413 10 0 DCAERN CS(=O)(=O)c1cccnc1NC[C@H](O)CN1CCCCC1 ZINC000302664790 533466400 /nfs/dbraw/zinc/46/64/00/533466400.db2.gz JBRTYMVQLQWXKN-LBPRGKRZSA-N 0 0 313.423 0.744 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O)N1CCCCC1=O ZINC000194040747 533640724 /nfs/dbraw/zinc/64/07/24/533640724.db2.gz WDQOCBHYKMEEDB-JHJVBQTASA-N 0 0 309.410 0.890 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H]2CCCCS2(=O)=O)CCSC1 ZINC000408194372 291982742 /nfs/dbraw/zinc/98/27/42/291982742.db2.gz WNUJFCNOAWPMCU-CABZTGNLSA-N 0 0 321.420 0.119 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CCCO3)C2)c1=O ZINC000275537402 130333964 /nfs/dbraw/zinc/33/39/64/130333964.db2.gz FBJVEMYIQLTGFP-NEPJUHHUSA-N 0 0 306.366 0.044 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2)c1=O ZINC000275652366 130356115 /nfs/dbraw/zinc/35/61/15/130356115.db2.gz KPZWYLNONJEFOO-MLGOLLRUSA-N 0 0 320.393 0.434 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000276808648 130548280 /nfs/dbraw/zinc/54/82/80/130548280.db2.gz DKFSELJFXFRRRP-OUAUKWLOSA-N 0 0 323.353 0.080 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936180 131034835 /nfs/dbraw/zinc/03/48/35/131034835.db2.gz JLNQLGJKBJEDKX-GJZGRUSLSA-N 0 0 304.394 0.739 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214087 131060583 /nfs/dbraw/zinc/06/05/83/131060583.db2.gz ZRLKFGGLBZBCLI-GJZGRUSLSA-N 0 0 304.394 0.739 10 0 DCAERN OCc1cc2ccccc2nc1N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284717272 131106797 /nfs/dbraw/zinc/10/67/97/131106797.db2.gz ZYTXAMXKKPHEES-INIZCTEOSA-N 0 0 311.345 0.943 10 0 DCAERN CC(C)(C)c1nc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cs1 ZINC000284839173 131115528 /nfs/dbraw/zinc/11/55/28/131115528.db2.gz CZGPCQPIDHIQAA-CQSZACIVSA-N 0 0 311.407 0.893 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284851161 131115691 /nfs/dbraw/zinc/11/56/91/131115691.db2.gz QJBQGEMJNUCEOV-KBPBESRZSA-N 0 0 307.398 0.919 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C(N)=O ZINC000284864241 131117069 /nfs/dbraw/zinc/11/70/69/131117069.db2.gz YFFRIKZEISDOFO-HQJQHLMTSA-N 0 0 320.317 0.228 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2ccnn2C)CC(C)(C)O1 ZINC000284904150 131121712 /nfs/dbraw/zinc/12/17/12/131121712.db2.gz HTKCJXAUXUZGPI-SNVBAGLBSA-N 0 0 303.384 0.235 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000285463653 131170699 /nfs/dbraw/zinc/17/06/99/131170699.db2.gz KDQBFYDJMOCMNX-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1Cl ZINC000038109413 685058173 /nfs/dbraw/zinc/05/81/73/685058173.db2.gz KISZDIOVFDIWRX-QMMMGPOBSA-N 0 0 303.771 0.634 10 0 DCAERN CCn1ncc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000294547609 131843236 /nfs/dbraw/zinc/84/32/36/131843236.db2.gz DJXYFVOYFMDXHB-SNVBAGLBSA-N 0 0 317.324 0.972 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000120486497 132141172 /nfs/dbraw/zinc/14/11/72/132141172.db2.gz OGTFYGYUANAMDA-NXEZZACHSA-N 0 0 300.380 0.341 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000121281086 132152540 /nfs/dbraw/zinc/15/25/40/132152540.db2.gz PWWXKVMZKDJMSZ-DTWKUNHWSA-N 0 0 312.320 0.717 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCS1(=O)=O ZINC000121836422 132159674 /nfs/dbraw/zinc/15/96/74/132159674.db2.gz XPBKHNNYLGISGS-VIFPVBQESA-N 0 0 319.329 0.989 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173626238 285544588 /nfs/dbraw/zinc/54/45/88/285544588.db2.gz LOIMWNOVQMQAHR-NXEZZACHSA-N 0 0 308.386 0.499 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1 ZINC000089401026 395711031 /nfs/dbraw/zinc/71/10/31/395711031.db2.gz AMRVSRRWOIBINC-GXFFZTMASA-N 0 0 312.391 0.438 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC000089418936 395711303 /nfs/dbraw/zinc/71/13/03/395711303.db2.gz APQLQJTZGOCZMK-ZWNOBZJWSA-N 0 0 312.391 0.438 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000032829358 395714077 /nfs/dbraw/zinc/71/40/77/395714077.db2.gz BFEVGKAYESHXLI-GFCCVEGCSA-N 0 0 317.345 0.710 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cncc(Br)c1 ZINC000089753052 395714293 /nfs/dbraw/zinc/71/42/93/395714293.db2.gz AQRKRIAXCQOCGR-MRVPVSSYSA-N 0 0 312.123 0.379 10 0 DCAERN O=C(c1cccc(F)c1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000090925999 395720108 /nfs/dbraw/zinc/72/01/08/395720108.db2.gz BBHCKNXXJMDTMY-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN CCCOC(=O)CSCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000036075847 395722029 /nfs/dbraw/zinc/72/20/29/395722029.db2.gz IDIGTYUOZVKDKL-UHFFFAOYSA-N 0 0 312.351 0.136 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000028010967 395695668 /nfs/dbraw/zinc/69/56/68/395695668.db2.gz 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/nfs/dbraw/zinc/75/22/14/395752214.db2.gz QDXFDKJLCMYXIB-UHFFFAOYSA-N 0 0 324.410 0.310 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@H]2CCOC2)cc1 ZINC000096537573 395754547 /nfs/dbraw/zinc/75/45/47/395754547.db2.gz AGMJKOLUCRVBHA-LBPRGKRZSA-N 0 0 313.375 0.812 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408447166 304314781 /nfs/dbraw/zinc/31/47/81/304314781.db2.gz BSOFFGFAAKLYAW-CABZTGNLSA-N 0 0 308.300 0.961 10 0 DCAERN CCN(CCc1nccs1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000194037215 395786471 /nfs/dbraw/zinc/78/64/71/395786471.db2.gz UIPKMOMNNDKODL-JTQLQIEISA-N 0 0 319.452 0.814 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047101444 395787364 /nfs/dbraw/zinc/78/73/64/395787364.db2.gz YATWLARBUOEBMM-OLZOCXBDSA-N 0 0 305.382 0.876 10 0 DCAERN CN(CCN1C(=O)CNC1=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251565 395804513 /nfs/dbraw/zinc/80/45/13/395804513.db2.gz GTRGVEIWQFHKMP-CYBMUJFWSA-N 0 0 316.361 0.276 10 0 DCAERN COc1cccc2c1OCC(C(=O)NC[C@@H]1CN(C)CCO1)=C2 ZINC000194844801 395809411 /nfs/dbraw/zinc/80/94/11/395809411.db2.gz PIEJZAWQNPGMJR-CQSZACIVSA-N 0 0 318.373 0.918 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N[C@@H]3CCCCNC3=O)s2)cn1 ZINC000112169593 395815528 /nfs/dbraw/zinc/81/55/28/395815528.db2.gz IXERXWYHIRMUSJ-SNVBAGLBSA-N 0 0 319.390 0.942 10 0 DCAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112650796 395820886 /nfs/dbraw/zinc/82/08/86/395820886.db2.gz RCPZKURIMICUMQ-CMPLNLGQSA-N 0 0 311.345 0.835 10 0 DCAERN CCN1CCN(CC(=O)NC/C=C/c2ccccc2)C(=O)C1=O ZINC000112671576 395820956 /nfs/dbraw/zinc/82/09/56/395820956.db2.gz PFLKPBZHDMBSSI-RMKNXTFCSA-N 0 0 315.373 0.507 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000195277144 395823358 /nfs/dbraw/zinc/82/33/58/395823358.db2.gz BIVVKLUPBIGXJZ-RYUDHWBXSA-N 0 0 319.409 0.701 10 0 DCAERN COCCOCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286315 395824057 /nfs/dbraw/zinc/82/40/57/395824057.db2.gz WLRAYPVDANCGIW-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000113299151 395828968 /nfs/dbraw/zinc/82/89/68/395828968.db2.gz QQHHCRDETNTJDJ-SECBINFHSA-N 0 0 314.317 0.850 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@]3(O)CCSC3)C2)n[nH]1 ZINC000271002050 395829736 /nfs/dbraw/zinc/82/97/36/395829736.db2.gz QIZPZMSBDRKEMX-XPTSAGLGSA-N 0 0 324.406 0.083 10 0 DCAERN Cc1cc(S(=O)(=O)NCCN2C(=O)CCC2=O)c(C)s1 ZINC000113945381 395832364 /nfs/dbraw/zinc/83/23/64/395832364.db2.gz UEPIENNAQFNMNU-UHFFFAOYSA-N 0 0 316.404 0.792 10 0 DCAERN COCCN(CC(=O)OC)Cc1cnn(-c2ccccc2)n1 ZINC000114476499 395834422 /nfs/dbraw/zinc/83/44/22/395834422.db2.gz CSFHGXOZJHNMSG-UHFFFAOYSA-N 0 0 304.350 0.889 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115334106 395839222 /nfs/dbraw/zinc/83/92/22/395839222.db2.gz YEXXHPWKMHPSGK-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CCO1 ZINC000050859109 395843139 /nfs/dbraw/zinc/84/31/39/395843139.db2.gz KNJGJRFYIXHABI-PMUGQKEBSA-N 0 0 318.329 0.184 10 0 DCAERN CC(=O)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000050990239 395843567 /nfs/dbraw/zinc/84/35/67/395843567.db2.gz KCSMBLFISKCCPG-CVEARBPZSA-N 0 0 323.437 0.757 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCCCNC3=O)C2)cn1 ZINC000116425583 395844084 /nfs/dbraw/zinc/84/40/84/395844084.db2.gz PTYSOGMZRNFGKE-DGCLKSJQSA-N 0 0 305.382 0.588 10 0 DCAERN CC(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000051152712 395846779 /nfs/dbraw/zinc/84/67/79/395846779.db2.gz YLVNSDPIIHVQQE-LSDHHAIUSA-N 0 0 309.410 0.321 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(Cl)nc2)C1 ZINC000116832255 395847094 /nfs/dbraw/zinc/84/70/94/395847094.db2.gz BPRVQMHCSBUOCF-VIFPVBQESA-N 0 0 303.771 0.499 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000225464169 395860890 /nfs/dbraw/zinc/86/08/90/395860890.db2.gz JMKRRZVGNIKMSM-GJZGRUSLSA-N 0 0 306.410 0.511 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116904254 395849367 /nfs/dbraw/zinc/84/93/67/395849367.db2.gz 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/nfs/dbraw/zinc/79/70/58/395797058.db2.gz HRNKCCDBHWVFTR-LBPRGKRZSA-N 0 0 305.378 0.314 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1CCOCC1 ZINC000234568814 395888972 /nfs/dbraw/zinc/88/89/72/395888972.db2.gz GAGWGBWBTKLXCX-NEPJUHHUSA-N 0 0 305.396 0.674 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1cccn1C ZINC000234620968 395889896 /nfs/dbraw/zinc/88/98/96/395889896.db2.gz ZKXZJPHIPHGBDL-NWDGAFQWSA-N 0 0 300.380 0.786 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@]1(C)CCCO1 ZINC000234618783 395890014 /nfs/dbraw/zinc/89/00/14/395890014.db2.gz WQUIISQKJUHXFI-NQBHXWOUSA-N 0 0 305.396 0.817 10 0 DCAERN C[C@@H](CNC(=O)N[C@H](CO)Cc1ccccc1)N1CCOCC1 ZINC000123155571 395892008 /nfs/dbraw/zinc/89/20/08/395892008.db2.gz AWGYCJMVHJXXLP-HOCLYGCPSA-N 0 0 321.421 0.610 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCNC[C@H]1C ZINC000054371456 395898821 /nfs/dbraw/zinc/89/88/21/395898821.db2.gz PWJRWHSUEAGWQF-MRVPVSSYSA-N 0 0 316.379 0.665 10 0 DCAERN CCCN(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000125562854 395903688 /nfs/dbraw/zinc/90/36/88/395903688.db2.gz QOZGCPVGMCGQJA-SNVBAGLBSA-N 0 0 309.391 0.982 10 0 DCAERN CC(C)N1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1=O ZINC000273229557 395908341 /nfs/dbraw/zinc/90/83/41/395908341.db2.gz FQYBVOCFEMJVIW-UHFFFAOYSA-N 0 0 301.350 0.661 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000245477187 395930853 /nfs/dbraw/zinc/93/08/53/395930853.db2.gz UHBVQSYGKPTGSY-NEPJUHHUSA-N 0 0 305.444 0.545 10 0 DCAERN CN(CCCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 ZINC000056146974 395927201 /nfs/dbraw/zinc/92/72/01/395927201.db2.gz ABAIVNNKWZRXPU-ZDUSSCGKSA-N 0 0 318.377 0.617 10 0 DCAERN C[C@@H](O)CCNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000118718457 395863773 /nfs/dbraw/zinc/86/37/73/395863773.db2.gz AHHXFQFLPOEQHH-SECBINFHSA-N 0 0 311.363 0.239 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060331 395870598 /nfs/dbraw/zinc/87/05/98/395870598.db2.gz BQWOMLGUVHBKKP-UHFFFAOYSA-N 0 0 309.775 0.647 10 0 DCAERN CCOC(=O)C[C@H](O)Cn1c(=O)sc2ccccc2c1=O ZINC000228516196 395871743 /nfs/dbraw/zinc/87/17/43/395871743.db2.gz ISPTWHCUQGNRSD-VIFPVBQESA-N 0 0 309.343 0.737 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000119624388 395873085 /nfs/dbraw/zinc/87/30/85/395873085.db2.gz OCGULNUQYFDWGA-CABCVRRESA-N 0 0 307.394 0.658 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCN(c3cccnn3)CC2)n1 ZINC000119745277 395875240 /nfs/dbraw/zinc/87/52/40/395875240.db2.gz IFGQLEQBJIPURY-UHFFFAOYSA-N 0 0 300.366 0.857 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CCO[C@@H]3C)CC2)n1 ZINC000134426883 395931645 /nfs/dbraw/zinc/93/16/45/395931645.db2.gz WBWVVYDBVUTNNE-PWSUYJOCSA-N 0 0 309.370 0.383 10 0 DCAERN CCCc1cc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)n[nH]1 ZINC000134632705 395933492 /nfs/dbraw/zinc/93/34/92/395933492.db2.gz ZMGAIZQOOKLEMS-SNVBAGLBSA-N 0 0 300.384 0.725 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nc(N)nc(N(C)C)n1 ZINC000248854885 395998743 /nfs/dbraw/zinc/99/87/43/395998743.db2.gz QUHJZTGINOQIAX-SCVCMEIPSA-N 0 0 320.397 0.293 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCO[C@H]1C ZINC000135249305 395939063 /nfs/dbraw/zinc/93/90/63/395939063.db2.gz RDGKVAAJXXNYCU-ONGXEEELSA-N 0 0 316.379 0.746 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H]1CCO[C@@H]1C ZINC000135249260 395939078 /nfs/dbraw/zinc/93/90/78/395939078.db2.gz RDGKVAAJXXNYCU-KOLCDFICSA-N 0 0 316.379 0.746 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000248866230 395998961 /nfs/dbraw/zinc/99/89/61/395998961.db2.gz TVHWVEXTFCWOPR-GUTXKFCHSA-N 0 0 309.410 0.034 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000135510790 395940292 /nfs/dbraw/zinc/94/02/92/395940292.db2.gz QWAOACZWWYYPIS-WCQYABFASA-N 0 0 322.390 0.864 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CCN2CCCC[C@@H]2C1 ZINC000246079090 395941057 /nfs/dbraw/zinc/94/10/57/395941057.db2.gz FRZXKFFFDFXARN-CQSZACIVSA-N 0 0 302.440 0.913 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)N1CCc2ccccc21 ZINC000135562991 395941317 /nfs/dbraw/zinc/94/13/17/395941317.db2.gz GESUDJVIOIVXIV-RISCZKNCSA-N 0 0 324.402 0.673 10 0 DCAERN C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)NCc1ccco1 ZINC000135550072 395941564 /nfs/dbraw/zinc/94/15/64/395941564.db2.gz VTPSCJYWKPXEDS-NHCYSSNCSA-N 0 0 316.379 0.381 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246096419 395941757 /nfs/dbraw/zinc/94/17/57/395941757.db2.gz IYPJYEMGVBVCCA-CWSCBRNRSA-N 0 0 310.300 0.781 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000136093733 395944447 /nfs/dbraw/zinc/94/44/47/395944447.db2.gz VPNNKHJTTFQWBY-UHFFFAOYSA-N 0 0 313.423 0.960 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246595265 395953748 /nfs/dbraw/zinc/95/37/48/395953748.db2.gz VJUQCVXSQWOHHF-ZYHUDNBSSA-N 0 0 313.427 0.988 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1CCO[C@]2(CCOC2)C1 ZINC000274517462 395955076 /nfs/dbraw/zinc/95/50/76/395955076.db2.gz XWUGWOSHMONKNU-MRXNPFEDSA-N 0 0 318.377 0.708 10 0 DCAERN Cn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@]4(CCOC4)C3)cc21 ZINC000274520962 395955321 /nfs/dbraw/zinc/95/53/21/395955321.db2.gz YFWPDWKJORVHGW-INIZCTEOSA-N 0 0 317.345 0.498 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)nn1 ZINC000152112052 396000112 /nfs/dbraw/zinc/00/01/12/396000112.db2.gz ADEBXMOHJDOESL-LLVKDONJSA-N 0 0 314.411 0.583 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000246844878 395959631 /nfs/dbraw/zinc/95/96/31/395959631.db2.gz BCNBCQFPWLSHGN-FMKPAKJESA-N 0 0 311.426 0.654 10 0 DCAERN Nc1ccc(C(=O)NCCO)cc1I ZINC000144704662 395963124 /nfs/dbraw/zinc/96/31/24/395963124.db2.gz VFVAZPGLGADNOM-UHFFFAOYSA-N 0 0 306.103 0.596 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000247007924 395963765 /nfs/dbraw/zinc/96/37/65/395963765.db2.gz ZBIPQYYRZJLCIU-AEJSXWLSSA-N 0 0 320.436 0.548 10 0 DCAERN CCOCCN1CCN([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC000247140812 395968066 /nfs/dbraw/zinc/96/80/66/395968066.db2.gz KZFYWNKSQGJAAV-CABCVRRESA-N 0 0 315.458 0.570 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCOC)C[C@H]1C ZINC000247208424 395968832 /nfs/dbraw/zinc/96/88/32/395968832.db2.gz UJGIEDYPIBRVCO-CYBMUJFWSA-N 0 0 308.444 0.395 10 0 DCAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ncccn3)CCO2)[nH]1 ZINC000247241153 395969782 /nfs/dbraw/zinc/96/97/82/395969782.db2.gz XYCMHTBKUZFSBS-MWLCHTKSSA-N 0 0 317.353 0.304 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247224434 395970021 /nfs/dbraw/zinc/97/00/21/395970021.db2.gz MLCDBQLEVQKBGI-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247240565 395970065 /nfs/dbraw/zinc/97/00/65/395970065.db2.gz SHVFLWYERMFXLN-STQMWFEESA-N 0 0 314.430 0.263 10 0 DCAERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000247338965 395971459 /nfs/dbraw/zinc/97/14/59/395971459.db2.gz GQDBZTHVBCDNSH-FRRDWIJNSA-N 0 0 311.382 0.721 10 0 DCAERN COC(=O)CNC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000151106292 395978609 /nfs/dbraw/zinc/97/86/09/395978609.db2.gz QAXNHRVAUOTNSE-GFCCVEGCSA-N 0 0 306.366 0.105 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248508949 395988611 /nfs/dbraw/zinc/98/86/11/395988611.db2.gz YMWLLWLHYYHZNX-KDRJOKAESA-N 0 0 317.455 0.116 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248508951 395989068 /nfs/dbraw/zinc/98/90/68/395989068.db2.gz YMWLLWLHYYHZNX-PSAMWYLNSA-N 0 0 317.455 0.116 10 0 DCAERN CC(C)C[C@H](CO)N(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000248469226 395989140 /nfs/dbraw/zinc/98/91/40/395989140.db2.gz GXQWYPIYXQMKJA-RWMBFGLXSA-N 0 0 308.444 0.679 10 0 DCAERN CCC[C@@H]1C[C@@H](C(=O)NC[C@@H](O)CN2CCOCC2)CCO1 ZINC000248554495 395989507 /nfs/dbraw/zinc/98/95/07/395989507.db2.gz LGPGQDHOVPOUSB-RRFJBIMHSA-N 0 0 314.426 0.391 10 0 DCAERN COCCN1CCN(C(=O)COc2ccccc2O)C[C@H]1C ZINC000151751687 395992500 /nfs/dbraw/zinc/99/25/00/395992500.db2.gz QTQQRUKAYWSINB-CYBMUJFWSA-N 0 0 308.378 0.950 10 0 DCAERN CCOCCCNC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313459 395992532 /nfs/dbraw/zinc/99/25/32/395992532.db2.gz ADBKDKDFUHRCHI-GFCCVEGCSA-N 0 0 308.382 0.529 10 0 DCAERN Cc1cc(=O)[nH]c(CNc2nccc(N3CCC[C@@H](O)C3)n2)n1 ZINC000065382985 395992963 /nfs/dbraw/zinc/99/29/63/395992963.db2.gz YCAGVXICOWAQID-LLVKDONJSA-N 0 0 316.365 0.442 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000151866403 395994964 /nfs/dbraw/zinc/99/49/64/395994964.db2.gz ALTWWUXXWSZRLU-UHIISALHSA-N 0 0 318.373 0.639 10 0 DCAERN CN1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000248792098 395996894 /nfs/dbraw/zinc/99/68/94/395996894.db2.gz DNVWONTXZZGWEL-KGLIPLIRSA-N 0 0 309.410 0.321 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)NC[C@H]1CCCC[C@H]1O ZINC000153783966 396026466 /nfs/dbraw/zinc/02/64/66/396026466.db2.gz WCBFLXCSQHPGQN-VXGBXAGGSA-N 0 0 307.398 0.965 10 0 DCAERN COc1c(CNC(=O)N2CCN(C3CC3)CC2)c(C)nn1C ZINC000153828680 396026489 /nfs/dbraw/zinc/02/64/89/396026489.db2.gz WYMHEHONUZNZRF-UHFFFAOYSA-N 0 0 307.398 0.727 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000276808646 396029506 /nfs/dbraw/zinc/02/95/06/396029506.db2.gz DKFSELJFXFRRRP-GARJFASQSA-N 0 0 323.353 0.080 10 0 DCAERN COCCn1cc(NC(=O)CNC(=O)c2cccnc2)cn1 ZINC000154129332 396032162 /nfs/dbraw/zinc/03/21/62/396032162.db2.gz NEFZUPLTRKEYJX-UHFFFAOYSA-N 0 0 303.322 0.293 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154158483 396032866 /nfs/dbraw/zinc/03/28/66/396032866.db2.gz VIYKMCPAYJWOKZ-GJZGRUSLSA-N 0 0 322.405 0.572 10 0 DCAERN CCCC(=O)NCC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000154266824 396035308 /nfs/dbraw/zinc/03/53/08/396035308.db2.gz GQDLTVFQZWRKLC-UHFFFAOYSA-N 0 0 305.378 0.621 10 0 DCAERN CN(Cc1ccco1)C(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155110971 396047084 /nfs/dbraw/zinc/04/70/84/396047084.db2.gz UYXNCBKKHFQGPH-UHFFFAOYSA-N 0 0 314.407 0.747 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)nn1C ZINC000155195401 396048833 /nfs/dbraw/zinc/04/88/33/396048833.db2.gz UKSZKYDYZGYZEA-JTQLQIEISA-N 0 0 304.354 0.731 10 0 DCAERN C[C@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCS1(=O)=O ZINC000155411206 396051075 /nfs/dbraw/zinc/05/10/75/396051075.db2.gz FSMPAQYZLXIQJY-GXTWGEPZSA-N 0 0 308.403 0.911 10 0 DCAERN C[C@H](OCC1CC1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000068349967 396053291 /nfs/dbraw/zinc/05/32/91/396053291.db2.gz JHLQOUHZSVIYQT-JTQLQIEISA-N 0 0 312.391 0.765 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H](C)OC(C)(C)C1 ZINC000068475603 396057288 /nfs/dbraw/zinc/05/72/88/396057288.db2.gz BCOPCIZQNXJUHG-NEPJUHHUSA-N 0 0 311.426 0.611 10 0 DCAERN CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1noc2ccccc12 ZINC000261710830 396058462 /nfs/dbraw/zinc/05/84/62/396058462.db2.gz KZHRHAXLMIACGZ-UHFFFAOYSA-N 0 0 316.361 0.261 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C ZINC000155831644 396058631 /nfs/dbraw/zinc/05/86/31/396058631.db2.gz MNVUKCOZKUMXSW-GFCCVEGCSA-N 0 0 305.382 0.568 10 0 DCAERN COCCc1noc(CN2CC[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000261708782 396058847 /nfs/dbraw/zinc/05/88/47/396058847.db2.gz KEDGHBCUYOIVRO-CYBMUJFWSA-N 0 0 303.366 0.800 10 0 DCAERN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1C[C@@H](O)C[C@@H]1CO ZINC000249299862 396005185 /nfs/dbraw/zinc/00/51/85/396005185.db2.gz NVOCEZBYHNRORX-IEBDPFPHSA-N 0 0 300.305 0.719 10 0 DCAERN COCCO[C@@H]1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000249367025 396007285 /nfs/dbraw/zinc/00/72/85/396007285.db2.gz MSTXXKOKRHGXNC-KGLIPLIRSA-N 0 0 322.409 0.571 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000249485575 396008755 /nfs/dbraw/zinc/00/87/55/396008755.db2.gz CNHNKCDGPZGZNQ-RWMBFGLXSA-N 0 0 319.409 0.904 10 0 DCAERN Nc1nc(N)nc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000249601803 396010066 /nfs/dbraw/zinc/01/00/66/396010066.db2.gz YOLOIRLNYQRAHC-UWVGGRQHSA-N 0 0 306.395 0.305 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000249731336 396012220 /nfs/dbraw/zinc/01/22/20/396012220.db2.gz AIUQLJYNBGZBND-OUAUKWLOSA-N 0 0 307.350 0.510 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CCO ZINC000249761214 396013192 /nfs/dbraw/zinc/01/31/92/396013192.db2.gz AHITXASZOSDUQJ-VXGBXAGGSA-N 0 0 306.428 0.325 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@H](C)OC(C)(C)C1 ZINC000250036841 396013880 /nfs/dbraw/zinc/01/38/80/396013880.db2.gz BCOPCIZQNXJUHG-NWDGAFQWSA-N 0 0 311.426 0.611 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCN(C)C(=O)C1)c1ccccc1 ZINC000152697764 396015043 /nfs/dbraw/zinc/01/50/43/396015043.db2.gz WOBOZTPCZOFYAG-CQSZACIVSA-N 0 0 303.362 0.555 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)n1 ZINC000251562446 396016625 /nfs/dbraw/zinc/01/66/25/396016625.db2.gz GRXAAHUVMXNEBA-SOUVJXGZSA-N 0 0 308.426 0.974 10 0 DCAERN CCOC(=O)C1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000152979022 396018717 /nfs/dbraw/zinc/01/87/17/396018717.db2.gz AIGPVASYWJSDPO-UHFFFAOYSA-N 0 0 307.350 0.802 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000163693981 396086640 /nfs/dbraw/zinc/08/66/40/396086640.db2.gz ZJBFCPSDZPEPHL-UHFFFAOYSA-N 0 0 320.384 0.741 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3cccc(O)c3)CC2)no1 ZINC000262028224 396091455 /nfs/dbraw/zinc/09/14/55/396091455.db2.gz GRDVNINUJGPAJX-UHFFFAOYSA-N 0 0 317.349 0.192 10 0 DCAERN CCN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000069902951 396094341 /nfs/dbraw/zinc/09/43/41/396094341.db2.gz OTIQPLGGVZZDDU-UHFFFAOYSA-N 0 0 300.362 0.561 10 0 DCAERN NCc1nc(CN2CCN(Cc3cccc(O)c3)CC2)no1 ZINC000262126411 396102177 /nfs/dbraw/zinc/10/21/77/396102177.db2.gz COOIBGBLUZXGPR-UHFFFAOYSA-N 0 0 303.366 0.552 10 0 DCAERN COC(=O)CCCCCNC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171043434 396104588 /nfs/dbraw/zinc/10/45/88/396104588.db2.gz TZBSOWVQWZSQLH-LBPRGKRZSA-N 0 0 323.397 0.934 10 0 DCAERN COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000171058086 396105771 /nfs/dbraw/zinc/10/57/71/396105771.db2.gz NQPYFSNZBKFBJP-ZWNOBZJWSA-N 0 0 312.391 0.750 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000171083571 396106460 /nfs/dbraw/zinc/10/64/60/396106460.db2.gz XCCWXNFBNOBPCI-JTQLQIEISA-N 0 0 303.318 0.322 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)c1ccccc1-n1cnnn1 ZINC000071185987 396110834 /nfs/dbraw/zinc/11/08/34/396110834.db2.gz IDDCROHMTFYBCA-UHFFFAOYSA-N 0 0 324.348 0.173 10 0 DCAERN CC(=O)Nc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1F ZINC000171286321 396112738 /nfs/dbraw/zinc/11/27/38/396112738.db2.gz ZRTWGODXDSYTKE-LBPRGKRZSA-N 0 0 309.341 0.845 10 0 DCAERN CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000071497887 396114415 /nfs/dbraw/zinc/11/44/15/396114415.db2.gz YRTNSVCAZADNID-GFCCVEGCSA-N 0 0 318.329 0.741 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)CCO1 ZINC000171351675 396115012 /nfs/dbraw/zinc/11/50/12/396115012.db2.gz JVIRHWHJRLLVEV-GXTWGEPZSA-N 0 0 304.346 0.910 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000171367603 396115413 /nfs/dbraw/zinc/11/54/13/396115413.db2.gz SRKJQWRTSMIUCR-NWDGAFQWSA-N 0 0 300.318 0.693 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000171400396 396116020 /nfs/dbraw/zinc/11/60/20/396116020.db2.gz XNHCWDGLMCSQLE-ZDUSSCGKSA-N 0 0 311.451 0.995 10 0 DCAERN CN(CCN1CCOCC1)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000171416930 396116812 /nfs/dbraw/zinc/11/68/12/396116812.db2.gz BNCZFYMOGKVEOI-UHFFFAOYSA-N 0 0 318.377 0.120 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOC2)cc1Cl ZINC000171568541 396118948 /nfs/dbraw/zinc/11/89/48/396118948.db2.gz JOXMFUSYNZAFJI-VIFPVBQESA-N 0 0 318.782 0.896 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](O)C3)C2)n(C)n1 ZINC000278368756 396121099 /nfs/dbraw/zinc/12/10/99/396121099.db2.gz KJEFJDUHJVGEFT-ZIAGYGMSSA-N 0 0 321.425 0.864 10 0 DCAERN CCOC(=O)[C@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000278362288 396121128 /nfs/dbraw/zinc/12/11/28/396121128.db2.gz KIEAOECMLISNMI-VIFPVBQESA-N 0 0 304.354 0.725 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171661422 396121656 /nfs/dbraw/zinc/12/16/56/396121656.db2.gz DUTNEHPHARUNMP-GFCCVEGCSA-N 0 0 307.398 0.994 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](n2cncn2)C1 ZINC000171702270 396122253 /nfs/dbraw/zinc/12/22/53/396122253.db2.gz SVUVOGXBLWOAAH-JQWIXIFHSA-N 0 0 306.370 0.292 10 0 DCAERN C[C@@H](O)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171672917 396122776 /nfs/dbraw/zinc/12/27/76/396122776.db2.gz DLVHYVULJGWUQA-DOMZBBRYSA-N 0 0 307.394 0.870 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000278548947 396131128 /nfs/dbraw/zinc/13/11/28/396131128.db2.gz ICOPTPKJTPLOFX-KGLIPLIRSA-N 0 0 320.393 0.369 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CCCn2ncnc21 ZINC000175821760 396143694 /nfs/dbraw/zinc/14/36/94/396143694.db2.gz ZEVNRWOBHAGEJK-LBPRGKRZSA-N 0 0 317.324 0.798 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000278673702 396138903 /nfs/dbraw/zinc/13/89/03/396138903.db2.gz TUBKHGMXZRMRKY-OLZOCXBDSA-N 0 0 304.394 0.995 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000072953645 396140030 /nfs/dbraw/zinc/14/00/30/396140030.db2.gz MDZORAOWNQYQRA-UHFFFAOYSA-N 0 0 321.406 0.345 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccn(C)n3)CCO2)o1 ZINC000162792127 396083867 /nfs/dbraw/zinc/08/38/67/396083867.db2.gz KSRAMPUNDLOQIB-GFCCVEGCSA-N 0 0 318.333 0.860 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000178748003 396207215 /nfs/dbraw/zinc/20/72/15/396207215.db2.gz BRWKKAAAYDANGV-CYBMUJFWSA-N 0 0 321.381 0.816 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC[C@H]2Cn2ccnc2C)C1 ZINC000178747998 396207308 /nfs/dbraw/zinc/20/73/08/396207308.db2.gz BRWKKAAAYDANGV-ZDUSSCGKSA-N 0 0 321.381 0.816 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCC(=O)N(C)C ZINC000073742575 396150161 /nfs/dbraw/zinc/15/01/61/396150161.db2.gz AZZAVMXNFKLXPH-SNVBAGLBSA-N 0 0 309.414 0.745 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCn2ncnc21)C(=O)NC(C)(C)C ZINC000176601038 396158009 /nfs/dbraw/zinc/15/80/09/396158009.db2.gz DSSNFXYYMODUBU-UWVGGRQHSA-N 0 0 308.386 0.715 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176600115 396158290 /nfs/dbraw/zinc/15/82/90/396158290.db2.gz JYJBELNHFWSQHI-GHMZBOCLSA-N 0 0 307.354 0.708 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000176744482 396159718 /nfs/dbraw/zinc/15/97/18/396159718.db2.gz UNFZDCCJJRIEPV-JTQLQIEISA-N 0 0 310.383 0.442 10 0 DCAERN O=C([C@H]1COCCN1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262630456 396164696 /nfs/dbraw/zinc/16/46/96/396164696.db2.gz MNGNUZVZLRNHCX-VXGBXAGGSA-N 0 0 306.366 0.641 10 0 DCAERN CC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000074413601 396166581 /nfs/dbraw/zinc/16/65/81/396166581.db2.gz HHUCPBRQQMSDTR-QWHCGFSZSA-N 0 0 309.414 0.849 10 0 DCAERN C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000177298119 396171359 /nfs/dbraw/zinc/17/13/59/396171359.db2.gz GDWCVBQZKYKCBH-KGLIPLIRSA-N 0 0 307.398 0.245 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177343818 396173067 /nfs/dbraw/zinc/17/30/67/396173067.db2.gz OYXXAXHZOYHAHI-GHMZBOCLSA-N 0 0 308.386 0.717 10 0 DCAERN Cn1cc(N2CCN(C[C@@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444656 396175708 /nfs/dbraw/zinc/17/57/08/396175708.db2.gz UHLFCAKPQOVFAJ-QGZVFWFLSA-N 0 0 314.389 0.976 10 0 DCAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177437219 396175879 /nfs/dbraw/zinc/17/58/79/396175879.db2.gz ZRVDMSBMGXFSNK-NWDGAFQWSA-N 0 0 319.361 0.640 10 0 DCAERN CC(C)(C)[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CCO1 ZINC000279450078 396176175 /nfs/dbraw/zinc/17/61/75/396176175.db2.gz VOKQLKDQDRZSLM-SNVBAGLBSA-N 0 0 318.381 0.682 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N[C@@H]1CCCn2ncnc21 ZINC000177576003 396178602 /nfs/dbraw/zinc/17/86/02/396178602.db2.gz HCOUOBNZWANTPR-SECBINFHSA-N 0 0 320.382 0.343 10 0 DCAERN CN(C)C(=O)CN1CCCN(CC(=O)N2CCCCC2)CC1 ZINC000075697236 396185532 /nfs/dbraw/zinc/18/55/32/396185532.db2.gz WFUSNCFEFWQAFJ-UHFFFAOYSA-N 0 0 310.442 0.095 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccnc2C)CC1 ZINC000177911594 396185926 /nfs/dbraw/zinc/18/59/26/396185926.db2.gz IRRLYSLZJZYTKX-CYBMUJFWSA-N 0 0 320.393 0.244 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCc1ccc(CO)c(F)c1 ZINC000178074547 396188701 /nfs/dbraw/zinc/18/87/01/396188701.db2.gz OEGAWEAHZPQUDK-UHFFFAOYSA-N 0 0 317.320 0.759 10 0 DCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075980638 396190809 /nfs/dbraw/zinc/19/08/09/396190809.db2.gz QRWZDOWLZNFOKW-YPMHNXCESA-N 0 0 311.407 0.981 10 0 DCAERN Cn1cc(NC(=O)Cc2noc3ccccc23)c(=O)n(C)c1=O ZINC000076019065 396191672 /nfs/dbraw/zinc/19/16/72/396191672.db2.gz HVNLWHQWNXEMML-UHFFFAOYSA-N 0 0 314.301 0.406 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)[nH]1 ZINC000262960294 396194702 /nfs/dbraw/zinc/19/47/02/396194702.db2.gz KRVBEFZGXZXGRE-DTWKUNHWSA-N 0 0 301.297 0.010 10 0 DCAERN C[C@H](NS(=O)(=O)C[C@H]1CCCO1)c1nnc2n1CCCC2 ZINC000178373611 396194803 /nfs/dbraw/zinc/19/48/03/396194803.db2.gz SYVUPVZIICCXJL-WDEREUQCSA-N 0 0 314.411 0.774 10 0 DCAERN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CC(F)(F)CN1 ZINC000262958646 396194999 /nfs/dbraw/zinc/19/49/99/396194999.db2.gz KKZSLYCLNFIEMA-GFCCVEGCSA-N 0 0 307.304 0.881 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)on1 ZINC000263104085 396201488 /nfs/dbraw/zinc/20/14/88/396201488.db2.gz ZSZBNSUQQFSLCU-LBPRGKRZSA-N 0 0 314.336 0.624 10 0 DCAERN C[C@@H]1OCC[C@]12CN(S(=O)(=O)c1ccccc1N)CCO2 ZINC000280483796 396203624 /nfs/dbraw/zinc/20/36/24/396203624.db2.gz NXJNFOZXZINJTD-FZMZJTMJSA-N 0 0 312.391 0.837 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000180984712 396236303 /nfs/dbraw/zinc/23/63/03/396236303.db2.gz FNBYWGJORUVENY-CHWSQXEVSA-N 0 0 323.397 0.127 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1=O ZINC000077940046 396237111 /nfs/dbraw/zinc/23/71/11/396237111.db2.gz WPPPUVZXRJXMQN-AAEUAGOBSA-N 0 0 321.377 0.474 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)c1cnn2ccc(C)nc12 ZINC000263936134 396244055 /nfs/dbraw/zinc/24/40/55/396244055.db2.gz PBEUVSFEKUIJDT-LBPRGKRZSA-N 0 0 301.350 0.778 10 0 DCAERN Cn1c2ccc(NC(=O)[C@@]3(C)CCC(=O)NC3)cc2n(C)c1=O ZINC000281861305 396245397 /nfs/dbraw/zinc/24/53/97/396245397.db2.gz MUKOCXDKWSWPDI-INIZCTEOSA-N 0 0 316.361 0.732 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)[C@H](C)N1CCOCC1 ZINC000182726990 396253681 /nfs/dbraw/zinc/25/36/81/396253681.db2.gz RJWULWUDCDBDNG-STQMWFEESA-N 0 0 310.402 0.077 10 0 DCAERN Cc1ccc(C(=O)NCCCn2ccnn2)cc1S(C)(=O)=O ZINC000182999164 396258134 /nfs/dbraw/zinc/25/81/34/396258134.db2.gz NVLYAUMKYYTBRW-UHFFFAOYSA-N 0 0 322.390 0.810 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cn(Cc2cccnc2)nn1 ZINC000182996132 396258537 /nfs/dbraw/zinc/25/85/37/396258537.db2.gz KDWFTUMYFROZSX-GXTWGEPZSA-N 0 0 314.393 0.807 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)NCCCn1ccnn1)c2=O ZINC000183011531 396259337 /nfs/dbraw/zinc/25/93/37/396259337.db2.gz JLPYWSRBCQBXFZ-UHFFFAOYSA-N 0 0 312.333 0.415 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O ZINC000079664095 396268740 /nfs/dbraw/zinc/26/87/40/396268740.db2.gz NBNQWXJSABXSEP-DGCLKSJQSA-N 0 0 318.377 0.982 10 0 DCAERN O=C(CNC(=O)NCCCn1ccnn1)Nc1cccc(F)c1 ZINC000183561589 396270802 /nfs/dbraw/zinc/27/08/02/396270802.db2.gz AVFFCDKOKYBWNF-UHFFFAOYSA-N 0 0 320.328 0.745 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1COc2ccccc2C1 ZINC000183561171 396271147 /nfs/dbraw/zinc/27/11/47/396271147.db2.gz ZKFTWNZQCCDFPV-ZDUSSCGKSA-N 0 0 301.350 0.971 10 0 DCAERN Cc1c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)sc2nccn12 ZINC000282213426 396272636 /nfs/dbraw/zinc/27/26/36/396272636.db2.gz TXYOMPROSCAAMQ-VIFPVBQESA-N 0 0 313.404 0.963 10 0 DCAERN O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H]1CC(F)(F)CN1 ZINC000263313963 396213752 /nfs/dbraw/zinc/21/37/52/396213752.db2.gz ZEKGYPMVBALXOP-WDEREUQCSA-N 0 0 311.336 0.559 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2c[nH]c3cc(F)ccc23)CCO1 ZINC000183983064 396280199 /nfs/dbraw/zinc/28/01/99/396280199.db2.gz KDQFWSGMXWDRGJ-CYBMUJFWSA-N 0 0 305.309 0.894 10 0 DCAERN Cn1c2nnc(S[C@@H]3CCNC3=O)n2c2ccccc2c1=O ZINC000179087392 396221228 /nfs/dbraw/zinc/22/12/28/396221228.db2.gz NSOHGRVHULLKTJ-SNVBAGLBSA-N 0 0 315.358 0.562 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(F)cc1Cl ZINC000179181054 396223137 /nfs/dbraw/zinc/22/31/37/396223137.db2.gz GXYNKSGAJSQXAK-NXEZZACHSA-N 0 0 302.733 0.845 10 0 DCAERN CCOC(=O)c1coc(N2CCN(CCn3cncn3)CC2)n1 ZINC000077521458 396224733 /nfs/dbraw/zinc/22/47/33/396224733.db2.gz JDNCHXCQKFFFDM-UHFFFAOYSA-N 0 0 320.353 0.265 10 0 DCAERN CC(C)c1noc(CCCNC(=O)NC[C@@]2(O)CCOC2)n1 ZINC000179567901 396228207 /nfs/dbraw/zinc/22/82/07/396228207.db2.gz CZGYOMDHVFPEID-AWEZNQCLSA-N 0 0 312.370 0.576 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)N[C@H]1CCCCNC1=O ZINC000263750576 396228929 /nfs/dbraw/zinc/22/89/29/396228929.db2.gz GJROJXBAHDNOES-LBPRGKRZSA-N 0 0 305.382 0.687 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CCCOCC1 ZINC000180157908 396231641 /nfs/dbraw/zinc/23/16/41/396231641.db2.gz POGIAOKMKDTCCX-LLVKDONJSA-N 0 0 317.345 0.375 10 0 DCAERN CC(C)c1cnc(S(=O)(=O)Cc2nnnn2C2CC2)n1C ZINC000083029112 396312129 /nfs/dbraw/zinc/31/21/29/396312129.db2.gz KPMLKYFFBQVJBG-UHFFFAOYSA-N 0 0 310.383 0.839 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2nccs2)CC1 ZINC000184991118 396313509 /nfs/dbraw/zinc/31/35/09/396313509.db2.gz PYDZFLHFKAHXEX-GFCCVEGCSA-N 0 0 312.439 0.784 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NC2CCSCC2)CC1 ZINC000185011873 396314407 /nfs/dbraw/zinc/31/44/07/396314407.db2.gz ORVQJFBYOSPPEH-ZDUSSCGKSA-N 0 0 301.456 0.980 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC[C@@H]1C ZINC000185054442 396315978 /nfs/dbraw/zinc/31/59/78/396315978.db2.gz QIHRYRIYJPZISX-QWRGUYRKSA-N 0 0 313.427 0.994 10 0 DCAERN CC[C@@H](NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1 ZINC000185062296 396316110 /nfs/dbraw/zinc/31/61/10/396316110.db2.gz DBKVRPZJRONPRI-GFCCVEGCSA-N 0 0 310.423 0.875 10 0 DCAERN Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)CC3)n2C)n1 ZINC000283191033 396317466 /nfs/dbraw/zinc/31/74/66/396317466.db2.gz OQMGPADPOKLTHQ-UHFFFAOYSA-N 0 0 315.425 0.961 10 0 DCAERN CN(CCCOc1ccccc1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185137934 396318849 /nfs/dbraw/zinc/31/88/49/396318849.db2.gz AGYKTCPJLYUROX-CABCVRRESA-N 0 0 322.405 0.341 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCN(c2cccs2)C(=O)C1 ZINC000184096454 396285462 /nfs/dbraw/zinc/28/54/62/396285462.db2.gz GWYJJSUSVRCCOD-SNVBAGLBSA-N 0 0 307.375 0.450 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)NCCCN1CCCC1=O ZINC000184204476 396287379 /nfs/dbraw/zinc/28/73/79/396287379.db2.gz JTBAXDZRSQOECD-SECBINFHSA-N 0 0 311.304 0.564 10 0 DCAERN CCc1onc(C)c1C(=O)NCCN1CCCS1(=O)=O ZINC000184314129 396290248 /nfs/dbraw/zinc/29/02/48/396290248.db2.gz CXIKJUHZNGRMPQ-UHFFFAOYSA-N 0 0 301.368 0.311 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000185147474 396319719 /nfs/dbraw/zinc/31/97/19/396319719.db2.gz OPIYWITVKVBBRX-VXGBXAGGSA-N 0 0 323.324 0.715 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N[C@@H]3CCSC3)CCC(=O)N2C)cn1 ZINC000081057762 396292348 /nfs/dbraw/zinc/29/23/48/396292348.db2.gz XUSUROQLSSMWQN-DYEKYZERSA-N 0 0 322.434 0.951 10 0 DCAERN CC(C)NC(=O)CNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184366007 396292604 /nfs/dbraw/zinc/29/26/04/396292604.db2.gz ITERAPPUOKCFHX-UHFFFAOYSA-N 0 0 324.406 0.631 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000184352736 396292749 /nfs/dbraw/zinc/29/27/49/396292749.db2.gz OSDDQBFTFKQQMI-LBPRGKRZSA-N 0 0 318.381 0.650 10 0 DCAERN CN(C)c1ncncc1NC(=O)C(=O)NCCc1ccsc1 ZINC000184433360 396295094 /nfs/dbraw/zinc/29/50/94/396295094.db2.gz DKTIAJIJRDDELD-UHFFFAOYSA-N 0 0 319.390 0.902 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCO[C@@]3(CCOC3)C2)cn1 ZINC000184440057 396295178 /nfs/dbraw/zinc/29/51/78/396295178.db2.gz IEXVOCKWSKBRBK-HNNXBMFYSA-N 0 0 308.382 0.554 10 0 DCAERN COC[C@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccco1 ZINC000184546765 396298484 /nfs/dbraw/zinc/29/84/84/396298484.db2.gz OIVZFVCNXXKQOZ-AAEUAGOBSA-N 0 0 323.393 0.682 10 0 DCAERN CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1C ZINC000185180199 396320187 /nfs/dbraw/zinc/32/01/87/396320187.db2.gz XTEXHAQMADBKMO-VIFPVBQESA-N 0 0 306.771 0.034 10 0 DCAERN CN(Cc1ccc(Cl)s1)C(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185174121 396320194 /nfs/dbraw/zinc/32/01/94/396320194.db2.gz UITLMOBCJWUFIU-ZJUUUORDSA-N 0 0 318.826 0.787 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCCN1c1ccccc1F ZINC000184718264 396302138 /nfs/dbraw/zinc/30/21/38/396302138.db2.gz QBXFBAGPBDSYJA-LALPHHSUSA-N 0 0 308.353 0.749 10 0 DCAERN c1ccc(-n2nnnc2CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185175594 396320332 /nfs/dbraw/zinc/32/03/32/396320332.db2.gz BMKWVCWWUZVZFK-HNNXBMFYSA-N 0 0 301.350 0.654 10 0 DCAERN Cc1cccc(C)c1OCCNC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000185158878 396320335 /nfs/dbraw/zinc/32/03/35/396320335.db2.gz LKYSTGSFKUMOMZ-HUUCEWRRSA-N 0 0 322.405 0.226 10 0 DCAERN O[C@@H](COc1cccc(-n2ccnn2)c1)CN1CCOCC1 ZINC000184754999 396304441 /nfs/dbraw/zinc/30/44/41/396304441.db2.gz ADAHCERJNIZNFK-CQSZACIVSA-N 0 0 304.350 0.339 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)[C@H](C)CO ZINC000184896830 396310179 /nfs/dbraw/zinc/31/01/79/396310179.db2.gz KZTUIMAOFVDQNW-HTQZYQBOSA-N 0 0 315.317 0.741 10 0 DCAERN COc1cccc(Cl)c1CC(=O)NCCNS(C)(=O)=O ZINC000185259914 396324015 /nfs/dbraw/zinc/32/40/15/396324015.db2.gz GGMSWPJPSQIFAT-UHFFFAOYSA-N 0 0 320.798 0.557 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000186204044 396344574 /nfs/dbraw/zinc/34/45/74/396344574.db2.gz DPFWXMHEDFIBLL-OLZOCXBDSA-N 0 0 316.357 0.766 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnn2)CC[N@@H+]1CC(C)(C)O ZINC000186635161 396354312 /nfs/dbraw/zinc/35/43/12/396354312.db2.gz HIGVSUSAJCCHRL-ZDUSSCGKSA-N 0 0 324.429 0.155 10 0 DCAERN COCC1(O)CCN(C(=O)c2cnc(OCC3CC3)cn2)CC1 ZINC000285802125 396354915 /nfs/dbraw/zinc/35/49/15/396354915.db2.gz PXVHVYSFHDBRPF-UHFFFAOYSA-N 0 0 321.377 0.879 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186783191 396357472 /nfs/dbraw/zinc/35/74/72/396357472.db2.gz QTXKDWLFNSPEKN-QWRGUYRKSA-N 0 0 322.365 0.651 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1)C1CC1 ZINC000187817762 396374870 /nfs/dbraw/zinc/37/48/70/396374870.db2.gz IZJYTCNBRVWNRJ-GXTWGEPZSA-N 0 0 307.394 0.864 10 0 DCAERN O=C(NC1CN(C(=O)NCCCc2ccccn2)C1)C1CC1 ZINC000187641558 396372325 /nfs/dbraw/zinc/37/23/25/396372325.db2.gz YIZUZKCJMORDJT-UHFFFAOYSA-N 0 0 302.378 0.934 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000187633900 396372330 /nfs/dbraw/zinc/37/23/30/396372330.db2.gz IXXMMCWVXGGJPS-WBMJQRKESA-N 0 0 312.410 0.945 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)Cc2ccccc2F)C1 ZINC000187713842 396372824 /nfs/dbraw/zinc/37/28/24/396372824.db2.gz SSLAQPMDKBUQAP-UHFFFAOYSA-N 0 0 316.354 0.102 10 0 DCAERN CCc1nnc([C@H]2CN(c3cc(C)nc4ncnn43)CCO2)[nH]1 ZINC000268811947 396373013 /nfs/dbraw/zinc/37/30/13/396373013.db2.gz MGSBOKTZEJNHPT-SNVBAGLBSA-N 0 0 314.353 0.691 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCO2)c1 ZINC000186347711 396348252 /nfs/dbraw/zinc/34/82/52/396348252.db2.gz VVHVDRQUWURRFZ-UHFFFAOYSA-N 0 0 302.327 0.854 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000186380498 396348939 /nfs/dbraw/zinc/34/89/39/396348939.db2.gz VWYWBWSKXQNTNM-RWMBFGLXSA-N 0 0 308.378 0.799 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000266115126 396350733 /nfs/dbraw/zinc/35/07/33/396350733.db2.gz NPOGOHWKXLKSOT-GFCCVEGCSA-N 0 0 309.395 0.953 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000188365483 396381850 /nfs/dbraw/zinc/38/18/50/396381850.db2.gz IPLVQHJPXXGXGD-UONOGXRCSA-N 0 0 301.431 0.756 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1ccccc1C ZINC000188706340 396384820 /nfs/dbraw/zinc/38/48/20/396384820.db2.gz FJCVQHBJKNPMAH-ZIAGYGMSSA-N 0 0 306.362 0.472 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOc1cccc(C)c1 ZINC000188680229 396384845 /nfs/dbraw/zinc/38/48/45/396384845.db2.gz OLGLVKSIPSIDRS-GDBMZVCRSA-N 0 0 320.389 0.814 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000188833856 396387047 /nfs/dbraw/zinc/38/70/47/396387047.db2.gz RBYDIFPWBUVAHT-JTQLQIEISA-N 0 0 301.346 0.461 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000188860382 396387960 /nfs/dbraw/zinc/38/79/60/396387960.db2.gz CSMGHKRTVCVHTP-SNVBAGLBSA-N 0 0 302.334 0.067 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000188918046 396388541 /nfs/dbraw/zinc/38/85/41/396388541.db2.gz USROENQFWQYAMM-GFCCVEGCSA-N 0 0 313.361 0.682 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000188935626 396388605 /nfs/dbraw/zinc/38/86/05/396388605.db2.gz WPSGIFYYSQPIQZ-LLVKDONJSA-N 0 0 321.352 0.221 10 0 DCAERN COCCCN(CCO)C(=O)c1ccc(CNC(C)=O)s1 ZINC000189043442 396390001 /nfs/dbraw/zinc/39/00/01/396390001.db2.gz OOTKNLGXXCEMJS-UHFFFAOYSA-N 0 0 314.407 0.855 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2CCCn3ccnc32)CC1=O ZINC000189059385 396390758 /nfs/dbraw/zinc/39/07/58/396390758.db2.gz BJJHYFXNPDPURY-ZDUSSCGKSA-N 0 0 320.393 0.468 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)cn1 ZINC000189218186 396391970 /nfs/dbraw/zinc/39/19/70/396391970.db2.gz JSMMKCLIHUYKFO-ZDUSSCGKSA-N 0 0 316.427 0.861 10 0 DCAERN C[C@H]1C(=O)NCCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000189293628 396392557 /nfs/dbraw/zinc/39/25/57/396392557.db2.gz AEUHHKLLAQAXEW-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCn1cnc2ccccc2c1=O ZINC000189304005 396392994 /nfs/dbraw/zinc/39/29/94/396392994.db2.gz ZOPCMPQFDZEPLV-GFCCVEGCSA-N 0 0 300.362 0.607 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405552 396393153 /nfs/dbraw/zinc/39/31/53/396393153.db2.gz OATLFUKHLJFDGS-LSDHHAIUSA-N 0 0 308.353 0.863 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CC(CO)C2)C(=O)N1c1ccccc1 ZINC000189321857 396393299 /nfs/dbraw/zinc/39/32/99/396393299.db2.gz XVTMUYZDFGPHJN-RISCZKNCSA-N 0 0 303.362 0.814 10 0 DCAERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189311930 396393447 /nfs/dbraw/zinc/39/34/47/396393447.db2.gz DEWPOQHKXRNPPK-YIYPIFLZSA-N 0 0 312.410 0.678 10 0 DCAERN COc1ccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189322157 396393479 /nfs/dbraw/zinc/39/34/79/396393479.db2.gz GYBCXGAGUALKKD-GFCCVEGCSA-N 0 0 305.378 0.522 10 0 DCAERN C[C@H](O)CN1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000189394676 396394871 /nfs/dbraw/zinc/39/48/71/396394871.db2.gz ZSRHCCGRRZFVAZ-NSHDSACASA-N 0 0 313.348 0.902 10 0 DCAERN CCn1nccc1N1CCC[C@@H](NC(=O)C[C@@H](C)OC)C1=O ZINC000189908332 396400840 /nfs/dbraw/zinc/40/08/40/396400840.db2.gz PCLPKWCFZZDKNU-VXGBXAGGSA-N 0 0 308.382 0.940 10 0 DCAERN CC[C@H](C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189953015 396401137 /nfs/dbraw/zinc/40/11/37/396401137.db2.gz VPTUMNFYLBINIC-JQWIXIFHSA-N 0 0 314.411 0.700 10 0 DCAERN O=C(c1ccc2c(c1)OCO2)N1CCN([C@H]2CCNC2=O)CC1 ZINC000269289819 396404250 /nfs/dbraw/zinc/40/42/50/396404250.db2.gz TVIXOTDNSAHAQU-LBPRGKRZSA-N 0 0 317.345 0.062 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)NCCOCC(F)F)CCO2)[nH]1 ZINC000190298164 396404412 /nfs/dbraw/zinc/40/44/12/396404412.db2.gz RRZFCPMBPCOIGX-SECBINFHSA-N 0 0 319.312 0.478 10 0 DCAERN CCN1CN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1=O ZINC000190541460 396407570 /nfs/dbraw/zinc/40/75/70/396407570.db2.gz COXDRFGJKOHKME-UHFFFAOYSA-N 0 0 316.361 0.727 10 0 DCAERN COCCN1CCCN([C@H](C)c2nc(COC)no2)CC1=O ZINC000190796180 396411674 /nfs/dbraw/zinc/41/16/74/396411674.db2.gz YXQKRLKVPBGHLE-LLVKDONJSA-N 0 0 312.370 0.458 10 0 DCAERN COCCN1CCCN(Cc2ccc(C(=O)OC)o2)CC1=O ZINC000190789415 396411983 /nfs/dbraw/zinc/41/19/83/396411983.db2.gz KKKJQQGWTRCMNC-UHFFFAOYSA-N 0 0 310.350 0.747 10 0 DCAERN CCC(CC)[C@@H](CNC(=O)N1CC(CO)C1)N1CCOCC1 ZINC000190795720 396412110 /nfs/dbraw/zinc/41/21/10/396412110.db2.gz DZUDJGACLHXVQP-OAHLLOKOSA-N 0 0 313.442 0.757 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000190863696 396412563 /nfs/dbraw/zinc/41/25/63/396412563.db2.gz FIKOXSRIKZQTRK-SECBINFHSA-N 0 0 324.406 0.942 10 0 DCAERN CCCN1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1=O ZINC000191011523 396414050 /nfs/dbraw/zinc/41/40/50/396414050.db2.gz QARSGJZGCMGUAQ-ZDUSSCGKSA-N 0 0 317.455 0.907 10 0 DCAERN COCc1cccc(CNC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191093854 396415242 /nfs/dbraw/zinc/41/52/42/396415242.db2.gz YUGIYQYHVJKQKP-UHFFFAOYSA-N 0 0 319.405 0.613 10 0 DCAERN C[C@H](c1nnnn1-c1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191085923 396415255 /nfs/dbraw/zinc/41/52/55/396415255.db2.gz LJWPKCALMLFBJH-GFCCVEGCSA-N 0 0 300.366 0.887 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cccnc1N(C)C ZINC000191199000 396416591 /nfs/dbraw/zinc/41/65/91/396416591.db2.gz XRALUOGCULXXAS-NSHDSACASA-N 0 0 305.382 0.568 10 0 DCAERN O=C(NCCOCC(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000191634325 396422893 /nfs/dbraw/zinc/42/28/93/396422893.db2.gz XZJHALZVXDYYGX-LLVKDONJSA-N 0 0 307.341 0.384 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccccc1S(C)(=O)=O ZINC000191764391 396424580 /nfs/dbraw/zinc/42/45/80/396424580.db2.gz TYPKIBHIUYNTDJ-JTQLQIEISA-N 0 0 310.375 0.441 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000191764765 396424688 /nfs/dbraw/zinc/42/46/88/396424688.db2.gz JKFXUSPCGFPMOR-PWSUYJOCSA-N 0 0 301.346 0.849 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)[C@@H](C)C1 ZINC000191954298 396427662 /nfs/dbraw/zinc/42/76/62/396427662.db2.gz UNWKWMRTIGEJMQ-QWHCGFSZSA-N 0 0 306.410 0.747 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)sc(=O)n3C)CCO1 ZINC000192638103 396434356 /nfs/dbraw/zinc/43/43/56/396434356.db2.gz 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396448392 /nfs/dbraw/zinc/44/83/92/396448392.db2.gz VLDHDVRBJNCARU-MRVPVSSYSA-N 0 0 318.786 0.216 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H](C(N)=O)C(C)C ZINC000193401533 396450307 /nfs/dbraw/zinc/45/03/07/396450307.db2.gz CDPDHRVKIIDDGW-JTQLQIEISA-N 0 0 312.757 0.608 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)O1 ZINC000193531877 396453126 /nfs/dbraw/zinc/45/31/26/396453126.db2.gz RXPVADXSPUGUIK-FSPLSTOPSA-N 0 0 323.296 0.925 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000371800462 396476817 /nfs/dbraw/zinc/47/68/17/396476817.db2.gz ADPHHDFGDXKBRU-OXJKWZBOSA-N 0 0 316.357 0.952 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)ccc1F ZINC000371835350 396478145 /nfs/dbraw/zinc/47/81/45/396478145.db2.gz SGGHGQGTFLHSAW-CYBMUJFWSA-N 0 0 321.352 0.616 10 0 DCAERN CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000371895505 396479657 /nfs/dbraw/zinc/47/96/57/396479657.db2.gz YRNUMHHXXPFUCC-SNVBAGLBSA-N 0 0 312.395 0.041 10 0 DCAERN 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/nfs/dbraw/zinc/61/86/03/396618603.db2.gz HUKMSGMOAMQBOY-UHFFFAOYSA-N 0 0 301.350 0.961 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000560606759 396621463 /nfs/dbraw/zinc/62/14/63/396621463.db2.gz TXCSROAUVJOEIG-VXGBXAGGSA-N 0 0 306.370 0.307 10 0 DCAERN CC(C)(C)OC(=O)N1CCC(C[C@H](O)C[NH3+])(C(=O)[O-])CC1 ZINC000584881643 396631660 /nfs/dbraw/zinc/63/16/60/396631660.db2.gz YQHPKYAQTKPUCA-JTQLQIEISA-N 0 0 302.371 0.798 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1c[nH]nc1-c1nccs1 ZINC000584879385 396631825 /nfs/dbraw/zinc/63/18/25/396631825.db2.gz XLRQWEGQBTZCKU-UHFFFAOYSA-N 0 0 319.354 0.721 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCCO[C@@H]2CCC[C@H]21 ZINC000374086811 396638156 /nfs/dbraw/zinc/63/81/56/396638156.db2.gz KYSLIKSKYUXRCO-CHWSQXEVSA-N 0 0 309.366 0.127 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374129291 396641357 /nfs/dbraw/zinc/64/13/57/396641357.db2.gz INEGVPOSTUPYGL-CZXHOFHRSA-N 0 0 303.362 0.974 10 0 DCAERN 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318.345 0.670 10 0 DCAERN O=S(=O)(NCCCN1CCCS1(=O)=O)c1cccs1 ZINC000585808992 396660270 /nfs/dbraw/zinc/66/02/70/396660270.db2.gz DTYFJOQQOIDOAF-UHFFFAOYSA-N 0 0 324.449 0.452 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)s1 ZINC000617716947 396788349 /nfs/dbraw/zinc/78/83/49/396788349.db2.gz ZYNRZEGDPUAYHO-AWEZNQCLSA-N 0 0 313.375 0.849 10 0 DCAERN C=Cc1ccc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000629569757 396791569 /nfs/dbraw/zinc/79/15/69/396791569.db2.gz FHLJSFCEUITHIG-AWEZNQCLSA-N 0 0 324.402 0.720 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC000610714491 396754640 /nfs/dbraw/zinc/75/46/40/396754640.db2.gz MBDVSTKBMMCGRG-MCIONIFRSA-N 0 0 312.410 0.945 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)C1 ZINC000375495429 396758625 /nfs/dbraw/zinc/75/86/25/396758625.db2.gz KQXQVZVVVFICLS-JTQLQIEISA-N 0 0 305.382 0.660 10 0 DCAERN NC(=O)[C@]1(O)CCN(c2ncc(Cl)cc2Br)C1 ZINC000310324718 396760397 /nfs/dbraw/zinc/76/03/97/396760397.db2.gz 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/nfs/dbraw/zinc/82/46/76/396824676.db2.gz DOFSYWCEJKZZDI-STQMWFEESA-N 0 0 318.356 0.749 10 0 DCAERN CN1CCN(C(=O)Nc2ccncc2F)C[C@@H]1c1ncc[nH]1 ZINC000328626952 396825040 /nfs/dbraw/zinc/82/50/40/396825040.db2.gz MGBIHUCRDHEQFC-GFCCVEGCSA-N 0 0 304.329 0.886 10 0 DCAERN O=C(CN1CCSC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329672735 396848078 /nfs/dbraw/zinc/84/80/78/396848078.db2.gz URTYUYGFKOXIPM-MELADBBJSA-N 0 0 314.451 0.566 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)C2=CCCCO2)C[C@@H]1c1cnn(C)c1 ZINC000375734219 396808064 /nfs/dbraw/zinc/80/80/64/396808064.db2.gz NDLPECDVEYDYIP-OLZOCXBDSA-N 0 0 318.377 0.402 10 0 DCAERN Cc1ncc2n1C[C@@H](C(=O)NCc1cnc(N(C)C)n1C)CC2 ZINC000564112458 396812366 /nfs/dbraw/zinc/81/23/66/396812366.db2.gz HYJGJIDTMHJEBE-LBPRGKRZSA-N 0 0 316.409 0.870 10 0 DCAERN CC(=O)c1ccc(=O)n(Cc2c(Br)cnn2C)n1 ZINC000634547828 396886885 /nfs/dbraw/zinc/88/68/85/396886885.db2.gz FWWAXKZPQFDOLN-UHFFFAOYSA-N 0 0 311.139 0.990 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)Cc1cc[nH]n1 ZINC000625507680 396902128 /nfs/dbraw/zinc/90/21/28/396902128.db2.gz YIEZCJBTJOJJQC-UHFFFAOYSA-N 0 0 323.397 0.178 10 0 DCAERN O=C(N1CCS(=O)(=O)CC1)N1CCOc2cc(F)ccc21 ZINC000333042126 396916801 /nfs/dbraw/zinc/91/68/01/396916801.db2.gz ORFWYBDRHPSXOK-UHFFFAOYSA-N 0 0 314.338 0.875 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333106326 396917978 /nfs/dbraw/zinc/91/79/78/396917978.db2.gz DEFGBYJBXRTGEU-VJTDZRGJSA-N 0 0 303.424 0.977 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333194302 396919975 /nfs/dbraw/zinc/91/99/75/396919975.db2.gz SYSCWJMRHGUKCU-UHXUPSOCSA-N 0 0 300.424 0.963 10 0 DCAERN Cc1ccc(COCC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cc1 ZINC000630010354 396914219 /nfs/dbraw/zinc/91/42/19/396914219.db2.gz LYNGSMKMYXODJG-HUUCEWRRSA-N 0 0 316.361 0.548 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)NCCc1nnc2n1CCC2 ZINC000618217244 396928239 /nfs/dbraw/zinc/92/82/39/396928239.db2.gz BCYLCVSJXOZRPM-LLVKDONJSA-N 0 0 319.409 0.578 10 0 DCAERN c1cnc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nn1 ZINC000625644115 396965279 /nfs/dbraw/zinc/96/52/79/396965279.db2.gz LBDZARUMFNHPRV-UHFFFAOYSA-N 0 0 314.397 0.512 10 0 DCAERN CC(=O)N1CCCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000376817854 396983705 /nfs/dbraw/zinc/98/37/05/396983705.db2.gz FNSAJNKRJVSWFM-UHFFFAOYSA-N 0 0 304.412 0.281 10 0 DCAERN CN1CCN(CC(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000601008004 396989378 /nfs/dbraw/zinc/98/93/78/396989378.db2.gz XQONMZQVUBUYLD-HNNXBMFYSA-N 0 0 316.405 0.156 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625737338 396990860 /nfs/dbraw/zinc/99/08/60/396990860.db2.gz ZTAVCLVCLPIMAN-NDKCEZKHSA-N 0 0 311.426 0.454 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cccc3c2CCN(C)C3=O)C1 ZINC000618896054 397037970 /nfs/dbraw/zinc/03/79/70/397037970.db2.gz GPHBFOFNMQMITB-UHFFFAOYSA-N 0 0 301.346 0.732 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)o1 ZINC000618675990 397009111 /nfs/dbraw/zinc/00/91/11/397009111.db2.gz JVXNZWUFPAODAI-SECBINFHSA-N 0 0 314.363 0.588 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc(O)cc2)CCN1S(C)(=O)=O ZINC000618676055 397009596 /nfs/dbraw/zinc/00/95/96/397009596.db2.gz MLKDBLRFZMLLDR-LLVKDONJSA-N 0 0 312.391 0.427 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2c1ncn2C ZINC000618686563 397012369 /nfs/dbraw/zinc/01/23/69/397012369.db2.gz BYNOMVZQRFUPTH-DTWKUNHWSA-N 0 0 320.353 0.232 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCN1S(C)(=O)=O ZINC000618680442 397012562 /nfs/dbraw/zinc/01/25/62/397012562.db2.gz XXUNZLNJSPBZFE-LLVKDONJSA-N 0 0 314.382 0.861 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnn1CC ZINC000618754443 397023175 /nfs/dbraw/zinc/02/31/75/397023175.db2.gz BBJPXWDSACPGGL-ZJUUUORDSA-N 0 0 310.354 0.089 10 0 DCAERN Cc1noc([C@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H](C)O2)n1 ZINC000625907345 397031871 /nfs/dbraw/zinc/03/18/71/397031871.db2.gz STZBHDLIOSAMMV-VXNVDRBHSA-N 0 0 322.287 0.818 10 0 DCAERN C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000572690141 397084151 /nfs/dbraw/zinc/08/41/51/397084151.db2.gz OYTRWYBFMAZUIF-BFQNTYOBSA-N 0 0 323.393 0.782 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccn(C)c1 ZINC000625981459 397047061 /nfs/dbraw/zinc/04/70/61/397047061.db2.gz UCPIWXQLKJGCEX-UHFFFAOYSA-N 0 0 322.409 0.451 10 0 DCAERN COC(=O)c1nn(C[C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 ZINC000618964187 397049696 /nfs/dbraw/zinc/04/96/96/397049696.db2.gz HCORRFVRFKJYNM-JTQLQIEISA-N 0 0 312.391 0.983 10 0 DCAERN CSCCCN(C)C(=O)NCCCN1CCCS1(=O)=O ZINC000619587252 397153091 /nfs/dbraw/zinc/15/30/91/397153091.db2.gz CRXSKQUAPWMBFF-UHFFFAOYSA-N 0 0 323.484 0.807 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1 ZINC000592359734 397159236 /nfs/dbraw/zinc/15/92/36/397159236.db2.gz GVNBLMNPJIHJIJ-CYBMUJFWSA-N 0 0 319.361 0.903 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@](C)(OC)C3CC3)CC2)ncn1 ZINC000573416291 397164552 /nfs/dbraw/zinc/16/45/52/397164552.db2.gz YEKQDSDVOBXNCK-INIZCTEOSA-N 0 0 320.393 0.949 10 0 DCAERN NS(=O)(=O)c1ccccc1N1CCC[C@H](n2cncn2)C1 ZINC000631107178 397171748 /nfs/dbraw/zinc/17/17/48/397171748.db2.gz IFDHQEBDYYTNKH-NSHDSACASA-N 0 0 307.379 0.767 10 0 DCAERN CCN1CC[C@H](NC(=O)NCC2(SC)CCOCC2)C1=O ZINC000619802215 397194938 /nfs/dbraw/zinc/19/49/38/397194938.db2.gz UFMAAPTWEPCMPX-NSHDSACASA-N 0 0 315.439 0.819 10 0 DCAERN CCOC(=O)c1ccc(CNC(=O)N[C@H]2CCN(CC)C2=O)o1 ZINC000619803643 397196156 /nfs/dbraw/zinc/19/61/56/397196156.db2.gz SKCFUBHLWYONRB-NSHDSACASA-N 0 0 323.349 0.876 10 0 DCAERN COCc1cncc(C(=O)N(CC(=O)OC)CC(=O)OC)c1 ZINC000613180838 397211771 /nfs/dbraw/zinc/21/17/71/397211771.db2.gz LGVVPUPAJLBEIA-UHFFFAOYSA-N 0 0 310.306 0.016 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1C[C@H](F)C[C@@H]1CO ZINC000364581543 397224535 /nfs/dbraw/zinc/22/45/35/397224535.db2.gz GMNMIJDGTXXOJT-NXEZZACHSA-N 0 0 317.338 0.551 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC000592752200 397241491 /nfs/dbraw/zinc/24/14/91/397241491.db2.gz SZTBFWAQIOEKAO-HUUCEWRRSA-N 0 0 317.389 0.428 10 0 DCAERN NC(=O)[C@@]1(O)CCN(c2ncc(Br)cc2F)C1 ZINC000379747641 397268558 /nfs/dbraw/zinc/26/85/58/397268558.db2.gz DMOSJMPXKLKHJE-SNVBAGLBSA-N 0 0 304.119 0.410 10 0 DCAERN C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)CCS(=O)(=O)C1 ZINC000365435113 397280295 /nfs/dbraw/zinc/28/02/95/397280295.db2.gz HTZQBWQZPKJLAP-NSHDSACASA-N 0 0 300.428 0.900 10 0 DCAERN C[C@@H]1CN(C(=O)[C@]2(C)CCCNC2=O)CCN1CC(F)(F)F ZINC000365255630 397255114 /nfs/dbraw/zinc/25/51/14/397255114.db2.gz ABYNAHJTLRTFQV-ZWNOBZJWSA-N 0 0 321.343 0.998 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN(CC2(O)CCC2)CC1 ZINC000407950470 397333495 /nfs/dbraw/zinc/33/34/95/397333495.db2.gz HLRFHZAEKLIMDT-UHFFFAOYSA-N 0 0 310.419 0.908 10 0 DCAERN C[C@H]1CN(C(=O)NCCC(=O)N2CCCCC2)CC(=O)N1C ZINC000407954729 397335638 /nfs/dbraw/zinc/33/56/38/397335638.db2.gz FDMFBQVXRCOWTG-LBPRGKRZSA-N 0 0 310.398 0.261 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000407955250 397335731 /nfs/dbraw/zinc/33/57/31/397335731.db2.gz QRDLCZKLYTXWLZ-USZNOCQGSA-N 0 0 319.427 0.262 10 0 DCAERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407955349 397336094 /nfs/dbraw/zinc/33/60/94/397336094.db2.gz JGWZHDDHMMKWSJ-ZWKOPEQDSA-N 0 0 304.394 0.877 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCN(C3CC3)C(=O)C1)CC2 ZINC000407954742 397336248 /nfs/dbraw/zinc/33/62/48/397336248.db2.gz FEIPXERXMKAPNF-LLVKDONJSA-N 0 0 302.378 0.358 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366051085 397336843 /nfs/dbraw/zinc/33/68/43/397336843.db2.gz QRPNERPJFOHBBY-FVCCEPFGSA-N 0 0 318.439 0.540 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC(=O)N1 ZINC000407961282 397338044 /nfs/dbraw/zinc/33/80/44/397338044.db2.gz CNFBLUQYSDODRZ-AZKPJATDSA-N 0 0 310.394 0.949 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)c1nnc2ccccn21 ZINC000407967326 397340850 /nfs/dbraw/zinc/34/08/50/397340850.db2.gz CQLPJMXAMHECFS-QWRGUYRKSA-N 0 0 316.365 0.662 10 0 DCAERN Cc1c(CCC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cnn1C ZINC000408011554 397343929 /nfs/dbraw/zinc/34/39/29/397343929.db2.gz XTYOGESTIBLRCN-INIZCTEOSA-N 0 0 304.394 0.790 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000408203641 397348949 /nfs/dbraw/zinc/34/89/49/397348949.db2.gz DURKVGXKSWOILW-MXWKQRLJSA-N 0 0 319.427 0.070 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408344853 397353509 /nfs/dbraw/zinc/35/35/09/397353509.db2.gz BJNVXVJLPSUPQF-VNHYZAJKSA-N 0 0 320.393 0.577 10 0 DCAERN C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408427079 397356390 /nfs/dbraw/zinc/35/63/90/397356390.db2.gz MLLQOKNUCYUZKT-DGTMBMJNSA-N 0 0 320.455 0.822 10 0 DCAERN CC1(C)CN(S(=O)(=O)Cc2ccon2)C[C@@]2(CCOC2)O1 ZINC000366513168 397369698 /nfs/dbraw/zinc/36/96/98/397369698.db2.gz ZDTYPXRYKOPHKJ-CYBMUJFWSA-N 0 0 316.379 0.774 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404170738 397328181 /nfs/dbraw/zinc/32/81/81/397328181.db2.gz VTKLEUCEFLJUDO-CHWSQXEVSA-N 0 0 300.355 0.577 10 0 DCAERN CC(C)[C@H](C)N(C)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459960397 397438301 /nfs/dbraw/zinc/43/83/01/397438301.db2.gz IQBFUZYCSIXNAW-LRDDRELGSA-N 0 0 309.410 0.618 10 0 DCAERN CCNC(=O)CNC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000370167418 397450816 /nfs/dbraw/zinc/45/08/16/397450816.db2.gz OHSBUYAIUXGTBG-HNNXBMFYSA-N 0 0 313.398 0.886 10 0 DCAERN Cc1[nH]ccc1C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000370189078 397453914 /nfs/dbraw/zinc/45/39/14/397453914.db2.gz NAJUEJZAVVBUES-AWEZNQCLSA-N 0 0 304.394 0.750 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275423 397415316 /nfs/dbraw/zinc/41/53/16/397415316.db2.gz CLNSGBRREGFJSR-GXFFZTMASA-N 0 0 320.411 0.320 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC3(CCOCC3)CC2)cn1 ZINC000578645121 397465464 /nfs/dbraw/zinc/46/54/64/397465464.db2.gz YZDYVEFDFJFBAK-UHFFFAOYSA-N 0 0 309.366 0.597 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H](C)SC ZINC000487137690 397466679 /nfs/dbraw/zinc/46/66/79/397466679.db2.gz MZARBTUUBLNKHI-GUBZILKMSA-N 0 0 304.412 0.701 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000614565997 397470864 /nfs/dbraw/zinc/47/08/64/397470864.db2.gz CPRGOMYYLZLMSG-CYBMUJFWSA-N 0 0 313.379 0.546 10 0 DCAERN Cn1ccnc1[C@@H]1CCCN1C(=O)C1=NN(CCO)C(=O)CC1 ZINC000370357827 397475501 /nfs/dbraw/zinc/47/55/01/397475501.db2.gz MMRYBGNRBYNRRK-LBPRGKRZSA-N 0 0 319.365 0.054 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000370701364 397516639 /nfs/dbraw/zinc/51/66/39/397516639.db2.gz OQZGWRGBDVUEGA-ZDUSSCGKSA-N 0 0 306.428 0.841 10 0 DCAERN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)Cc1cnccn1 ZINC000605143286 397660372 /nfs/dbraw/zinc/66/03/72/397660372.db2.gz RKDAATSXHOTUQS-UHFFFAOYSA-N 0 0 324.362 0.606 10 0 DCAERN O=C(N[C@@H]1CCCOCC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000579749516 397591955 /nfs/dbraw/zinc/59/19/55/397591955.db2.gz DRDVHYQDEJGKTC-GFCCVEGCSA-N 0 0 319.361 0.357 10 0 DCAERN O=C(CCC1CCOCC1)NCCCN1CCCS1(=O)=O ZINC000608123500 397717241 /nfs/dbraw/zinc/71/72/41/397717241.db2.gz ATDGETUSAYPZRP-UHFFFAOYSA-N 0 0 318.439 0.735 10 0 DCAERN Cc1nnc2ccc(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)cn12 ZINC000608219252 397721283 /nfs/dbraw/zinc/72/12/83/397721283.db2.gz KHHXQSZMRKIMNR-WQAKAFBOSA-N 0 0 313.361 0.777 10 0 DCAERN COCCN(CCO)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000605411897 397664254 /nfs/dbraw/zinc/66/42/54/397664254.db2.gz BQPUIYNEWNYYFW-UHFFFAOYSA-N 0 0 323.393 0.996 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C1CC1 ZINC000607909720 397706410 /nfs/dbraw/zinc/70/64/10/397706410.db2.gz FHRJYBMHUDUFLR-SNVBAGLBSA-N 0 0 312.395 0.061 10 0 DCAERN CC(C)[C@H](CCO)NC(=O)NCCCN1CCCS1(=O)=O ZINC000608664393 397743422 /nfs/dbraw/zinc/74/34/22/397743422.db2.gz NBOPQMUURIESOT-LBPRGKRZSA-N 0 0 321.443 0.118 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NC1CCCCC1 ZINC000126791592 297775330 /nfs/dbraw/zinc/77/53/30/297775330.db2.gz OAJVIZKRSLBQDN-NEPJUHHUSA-N 0 0 302.440 0.943 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408027475 292937815 /nfs/dbraw/zinc/93/78/15/292937815.db2.gz NWMLVHHNEACSIT-RYUDHWBXSA-N 0 0 322.427 0.078 10 0 DCAERN Cc1noc(CCCC(=O)NCc2nnc3n2CCCC3)n1 ZINC000041138773 157991183 /nfs/dbraw/zinc/99/11/83/157991183.db2.gz LTJADBSVEIRNPZ-UHFFFAOYSA-N 0 0 304.354 0.945 10 0 DCAERN CCCC(=O)NCC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000045911738 158000029 /nfs/dbraw/zinc/00/00/29/158000029.db2.gz CLKGYJPFNPUISZ-BETUJISGSA-N 0 0 313.442 0.907 10 0 DCAERN Cn1cnnc1S(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000047622747 158004548 /nfs/dbraw/zinc/00/45/48/158004548.db2.gz OLXJVHCNVWVHOB-UHFFFAOYSA-N 0 0 316.289 0.506 10 0 DCAERN COC(=O)CCCS(=O)(=O)N(C)Cc1ccccc1N ZINC000049061937 158009353 /nfs/dbraw/zinc/00/93/53/158009353.db2.gz PXWZSKGIPLKZQQ-UHFFFAOYSA-N 0 0 300.380 0.984 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCC(=O)N(C)C ZINC000049331443 158010610 /nfs/dbraw/zinc/01/06/10/158010610.db2.gz HXZGMKJXXSDCRJ-LLVKDONJSA-N 0 0 306.366 0.791 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCNC(=O)CC1 ZINC000054257833 158020113 /nfs/dbraw/zinc/02/01/13/158020113.db2.gz QPOXNVZADXVMMX-LLVKDONJSA-N 0 0 310.398 0.355 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000057050242 158023761 /nfs/dbraw/zinc/02/37/61/158023761.db2.gz RCCVPAUZUQOBGI-NSHDSACASA-N 0 0 303.362 0.728 10 0 DCAERN O=C([C@@H]1CCC(=O)N1)N1CCC(c2nnc3ccccn32)CC1 ZINC000061211874 158027969 /nfs/dbraw/zinc/02/79/69/158027969.db2.gz SMZLVNSNJDKGKK-LBPRGKRZSA-N 0 0 313.361 0.714 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCNC(=O)CC2)c1)NC1CC1 ZINC000065901925 158035152 /nfs/dbraw/zinc/03/51/52/158035152.db2.gz HYRXHRWJXJLJTQ-UHFFFAOYSA-N 0 0 316.361 0.933 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067197838 158039333 /nfs/dbraw/zinc/03/93/33/158039333.db2.gz BLCWOEFXYLTEAX-FZMZJTMJSA-N 0 0 305.378 0.327 10 0 DCAERN C[C@@H](c1cccnc1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000068171611 158041774 /nfs/dbraw/zinc/04/17/74/158041774.db2.gz APGRTSRRTYPBRH-JTQLQIEISA-N 0 0 304.350 0.931 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 ZINC000069467165 158045337 /nfs/dbraw/zinc/04/53/37/158045337.db2.gz XUEVBNHDGXQHNZ-CYBMUJFWSA-N 0 0 309.341 0.654 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000074002862 158057149 /nfs/dbraw/zinc/05/71/49/158057149.db2.gz OCJVGQAOEFTPKC-NHYWBVRUSA-N 0 0 308.426 0.805 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000074560692 158060066 /nfs/dbraw/zinc/06/00/66/158060066.db2.gz GXOGCASNUONGQA-CYBMUJFWSA-N 0 0 305.309 0.992 10 0 DCAERN Cc1csc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)n1 ZINC000074885044 158060679 /nfs/dbraw/zinc/06/06/79/158060679.db2.gz GHWNOQAGOYXHCC-UHFFFAOYSA-N 0 0 307.379 0.366 10 0 DCAERN O=C(c1ccncc1)N1CCCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000075036553 158060983 /nfs/dbraw/zinc/06/09/83/158060983.db2.gz IBUNPJRFNQLHNE-ZDUSSCGKSA-N 0 0 320.418 0.419 10 0 DCAERN CSC[C@](C)(O)CNC(=O)CNC(=O)c1ccccc1C ZINC000075123572 158061070 /nfs/dbraw/zinc/06/10/70/158061070.db2.gz NDKXAXCWASGDRJ-OAHLLOKOSA-N 0 0 310.419 0.955 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000075530383 158061608 /nfs/dbraw/zinc/06/16/08/158061608.db2.gz PKNUKFUTPGDODI-PGQWDYDZSA-N 0 0 313.357 0.905 10 0 DCAERN COc1ccc([C@@H]2CCCN2C(=O)CN(CCO)CCO)cc1 ZINC000075714276 158063365 /nfs/dbraw/zinc/06/33/65/158063365.db2.gz XAGACWBBTDQXLS-INIZCTEOSA-N 0 0 322.405 0.645 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000075981728 158063539 /nfs/dbraw/zinc/06/35/39/158063539.db2.gz LOFAJQHOQIEAOF-AAEUAGOBSA-N 0 0 324.406 0.506 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000077750284 158070223 /nfs/dbraw/zinc/07/02/23/158070223.db2.gz NXYICLAVNBMVAM-YPMHNXCESA-N 0 0 306.428 0.660 10 0 DCAERN CCCN(CCO)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000079548577 158078550 /nfs/dbraw/zinc/07/85/50/158078550.db2.gz AFOLMLHXJWCCDR-CYBMUJFWSA-N 0 0 307.398 0.859 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC000079684701 158078947 /nfs/dbraw/zinc/07/89/47/158078947.db2.gz JHFHNOOZJSJLOO-WCQYABFASA-N 0 0 310.398 0.307 10 0 DCAERN COc1ccccc1CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC000080039928 158079998 /nfs/dbraw/zinc/07/99/98/158079998.db2.gz HACMNUUVHSHNEK-UHFFFAOYSA-N 0 0 317.349 0.087 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@@H]2CN(C)CCO2)c2ccccc2)[nH]1 ZINC000081031976 158083187 /nfs/dbraw/zinc/08/31/87/158083187.db2.gz OJQJATRBNKIDNB-UONOGXRCSA-N 0 0 315.377 0.649 10 0 DCAERN CCn1cnc(S(=O)(=O)NCCCCCC(=O)OC)c1 ZINC000081685231 158085890 /nfs/dbraw/zinc/08/58/90/158085890.db2.gz FGVNYTJHLLAEFZ-UHFFFAOYSA-N 0 0 303.384 0.915 10 0 DCAERN O=C(c1cc2c(s1)CCC2)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856757 158088347 /nfs/dbraw/zinc/08/83/47/158088347.db2.gz SJYMOBGURGWFMT-AWEZNQCLSA-N 0 0 305.359 0.661 10 0 DCAERN O=C(c1cc(Cl)ccc1O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796720 158088957 /nfs/dbraw/zinc/08/89/57/158088957.db2.gz OJRXNBWJUNFGBD-ZDUSSCGKSA-N 0 0 309.709 0.470 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN[C@@H](C)C1 ZINC000088059632 158093366 /nfs/dbraw/zinc/09/33/66/158093366.db2.gz MYWMEFIXXLRKBH-QMMMGPOBSA-N 0 0 316.379 0.665 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000088771745 158094451 /nfs/dbraw/zinc/09/44/51/158094451.db2.gz VJCWXIIPOPLUJO-UHFFFAOYSA-N 0 0 318.317 0.753 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3sc(C)cn3c2=O)C1 ZINC000089305511 158095908 /nfs/dbraw/zinc/09/59/08/158095908.db2.gz SDRHVXXQIFKKAS-UHFFFAOYSA-N 0 0 320.374 0.273 10 0 DCAERN Cc1ccc(NC(=O)[C@@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000089201937 158095930 /nfs/dbraw/zinc/09/59/30/158095930.db2.gz SQIWXUGXXHGJNQ-LBPRGKRZSA-N 0 0 312.391 0.668 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CCCOC ZINC000088787030 158096006 /nfs/dbraw/zinc/09/60/06/158096006.db2.gz JSTDLACGPKPIHT-SNVBAGLBSA-N 0 0 302.400 0.631 10 0 DCAERN COCCCOC1CN(C(=O)NC[C@@H](C)Cn2cccn2)C1 ZINC000091213973 158108319 /nfs/dbraw/zinc/10/83/19/158108319.db2.gz CALUPNBTMBQZKI-CYBMUJFWSA-N 0 0 310.398 0.966 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784174 158109273 /nfs/dbraw/zinc/10/92/73/158109273.db2.gz HPBNGRBSOWVSRG-CQSZACIVSA-N 0 0 322.409 0.411 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000091779798 158109971 /nfs/dbraw/zinc/10/99/71/158109971.db2.gz IZUJVZFWDLRTMZ-SNVBAGLBSA-N 0 0 318.358 0.531 10 0 DCAERN CC(C)Oc1ccccc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091785436 158111100 /nfs/dbraw/zinc/11/11/00/158111100.db2.gz QWYDAAUHPOTRMB-ZDUSSCGKSA-N 0 0 306.362 0.729 10 0 DCAERN COc1ccc(-c2nc(CN3CCOC[C@@H]3C(N)=O)no2)cc1 ZINC000092231184 158111911 /nfs/dbraw/zinc/11/19/11/158111911.db2.gz RGPGPXSIFSXBHM-GFCCVEGCSA-N 0 0 318.333 0.431 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCN(C)CC2)C1 ZINC000093170036 158118947 /nfs/dbraw/zinc/11/89/47/158118947.db2.gz DJFCYYHMDAVTPY-AWEZNQCLSA-N 0 0 320.441 0.251 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094892859 158123565 /nfs/dbraw/zinc/12/35/65/158123565.db2.gz DGSMYHHUHFCDEV-MWLCHTKSSA-N 0 0 313.379 0.483 10 0 DCAERN Cn1cc(CC(=O)N2CCCN(c3cccnn3)CC2)cn1 ZINC000105811684 158130780 /nfs/dbraw/zinc/13/07/80/158130780.db2.gz JIVWVZWHRZXGAT-UHFFFAOYSA-N 0 0 300.366 0.492 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000109095662 158137319 /nfs/dbraw/zinc/13/73/19/158137319.db2.gz CZLOZOMTLTWJSF-KWBADKCTSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)Cn1cc(NC(=O)[C@H]2CCCN2c2nccs2)cn1 ZINC000109044826 158137345 /nfs/dbraw/zinc/13/73/45/158137345.db2.gz WUNATWDXCGRPRT-SNVBAGLBSA-N 0 0 320.378 0.432 10 0 DCAERN NC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2c2nccs2)cn1 ZINC000109044827 158137353 /nfs/dbraw/zinc/13/73/53/158137353.db2.gz WUNATWDXCGRPRT-JTQLQIEISA-N 0 0 320.378 0.432 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CCCOC3)CC2)no1 ZINC000110945281 158138484 /nfs/dbraw/zinc/13/84/84/158138484.db2.gz YITMYAPAOZZGGN-CYBMUJFWSA-N 0 0 308.382 0.839 10 0 DCAERN CC[C@H](C)NC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650582 158149182 /nfs/dbraw/zinc/14/91/82/158149182.db2.gz WZPZONVOHUNERP-GXSJLCMTSA-N 0 0 312.391 0.800 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407702 158152878 /nfs/dbraw/zinc/15/28/78/158152878.db2.gz JIRDFMDNRXODPF-JQWIXIFHSA-N 0 0 308.407 0.695 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC(C(=O)N(C)C)CC2)C1=O ZINC000114835477 158157479 /nfs/dbraw/zinc/15/74/79/158157479.db2.gz OISXQAAXDVYBIN-ZDUSSCGKSA-N 0 0 324.425 0.506 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)CC2 ZINC000114865306 158159381 /nfs/dbraw/zinc/15/93/81/158159381.db2.gz QRJBNVBXSISEGW-QWRGUYRKSA-N 0 0 323.422 0.193 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(C)no1)CC2 ZINC000114948706 158160101 /nfs/dbraw/zinc/16/01/01/158160101.db2.gz BBOHOYHTYJJQPF-SNVBAGLBSA-N 0 0 304.354 0.951 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc(-n2cncn2)c1 ZINC000115382619 158161681 /nfs/dbraw/zinc/16/16/81/158161681.db2.gz SWJIMBBAYBUZHQ-LBPRGKRZSA-N 0 0 309.333 0.604 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2c2ccco2)c1=O ZINC000116046063 158162754 /nfs/dbraw/zinc/16/27/54/158162754.db2.gz WMYBHCYSCZZXMQ-LLVKDONJSA-N 0 0 303.318 0.504 10 0 DCAERN COc1cc(F)ccc1N1CCN(CC(=O)NC(N)=O)CC1 ZINC000115550749 158163375 /nfs/dbraw/zinc/16/33/75/158163375.db2.gz WCHJLZVYFYVPQZ-UHFFFAOYSA-N 0 0 310.329 0.151 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000116952005 158168400 /nfs/dbraw/zinc/16/84/00/158168400.db2.gz YBZBOENFRGASEM-VIFPVBQESA-N 0 0 318.424 0.019 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000117285847 158169602 /nfs/dbraw/zinc/16/96/02/158169602.db2.gz WBBKAFLFZCJXPJ-JTQLQIEISA-N 0 0 310.354 0.101 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117287024 158170740 /nfs/dbraw/zinc/17/07/40/158170740.db2.gz PQVJYWFKXDYPTI-ZIAGYGMSSA-N 0 0 302.415 0.607 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CCN1CCOC ZINC000117372063 158171328 /nfs/dbraw/zinc/17/13/28/158171328.db2.gz OKZJKDQWRWLUKJ-CQSZACIVSA-N 0 0 319.471 0.760 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000117610641 158171994 /nfs/dbraw/zinc/17/19/94/158171994.db2.gz MGNBFOASZOZOKS-LKFCYVNXSA-N 0 0 300.318 0.872 10 0 DCAERN CCN(C(=O)[C@@H]1Oc2ccccc2[C@H]1C)[C@@H]1CC(=O)NC1=O ZINC000117776413 158173542 /nfs/dbraw/zinc/17/35/42/158173542.db2.gz SXVQYBUUBBESBI-GLXFQSAKSA-N 0 0 302.330 0.815 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)NCc3cscn3)C2=O)cn1 ZINC000117963237 158174868 /nfs/dbraw/zinc/17/48/68/158174868.db2.gz SXFQGVVSKSUNSC-NSHDSACASA-N 0 0 320.378 0.481 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c(F)c1 ZINC000118115854 158176076 /nfs/dbraw/zinc/17/60/76/158176076.db2.gz SVXPTLUOGLPKHK-NSHDSACASA-N 0 0 309.341 0.519 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCc2ccccc2C1 ZINC000118754059 158179655 /nfs/dbraw/zinc/17/96/55/158179655.db2.gz RQKVQDGAIHGPAB-UHFFFAOYSA-N 0 0 301.346 0.902 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cccc(-n2cncn2)c1 ZINC000118969343 158181552 /nfs/dbraw/zinc/18/15/52/158181552.db2.gz ILRZAZNAKCMEDT-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCc2ccsc2)co1 ZINC000119054237 158182393 /nfs/dbraw/zinc/18/23/93/158182393.db2.gz UNCGPHGRCSZSNK-UHFFFAOYSA-N 0 0 300.361 0.961 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)C[C@H](C)O1 ZINC000119309316 158186011 /nfs/dbraw/zinc/18/60/11/158186011.db2.gz OGINISCMZTTWLS-PHIMTYICSA-N 0 0 302.400 0.206 10 0 DCAERN CN(C)c1ncc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cn1 ZINC000120025459 158192691 /nfs/dbraw/zinc/19/26/91/158192691.db2.gz NZIUBHROCZYLDG-SNVBAGLBSA-N 0 0 306.370 0.662 10 0 DCAERN O=C(c1cscn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120099875 158193598 /nfs/dbraw/zinc/19/35/98/158193598.db2.gz LKUVRILCSLZGMY-SNVBAGLBSA-N 0 0 315.420 0.783 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CCN(C)C1=O ZINC000120714587 158202574 /nfs/dbraw/zinc/20/25/74/158202574.db2.gz UBKFCPNQCMDSDI-GHMZBOCLSA-N 0 0 320.397 0.766 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)C2)C1 ZINC000120849537 158203743 /nfs/dbraw/zinc/20/37/43/158203743.db2.gz KSRGGXXYGJRHMW-STQMWFEESA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)[C@H](C(=O)NCCCN1CCCC1=O)N1CCCC1=O ZINC000121075062 158206255 /nfs/dbraw/zinc/20/62/55/158206255.db2.gz ASLIIIWAHVHMEX-OAHLLOKOSA-N 0 0 309.410 0.762 10 0 DCAERN COc1ccc(OC)c(CCCNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000121171872 158207773 /nfs/dbraw/zinc/20/77/73/158207773.db2.gz AMKKNTXODABUJL-GFCCVEGCSA-N 0 0 306.362 0.889 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121707437 158214473 /nfs/dbraw/zinc/21/44/73/158214473.db2.gz UJWSQIULVMGHKX-SNVBAGLBSA-N 0 0 301.416 0.852 10 0 DCAERN CNS(=O)(=O)c1cc(NC(=O)Cn2ccnc2)ccc1C ZINC000122523668 158221849 /nfs/dbraw/zinc/22/18/49/158221849.db2.gz VZUHYDXOKWZQSS-UHFFFAOYSA-N 0 0 308.363 0.738 10 0 DCAERN O=C([C@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCOCC1 ZINC000122823466 158223775 /nfs/dbraw/zinc/22/37/75/158223775.db2.gz RHMNYWSEGGRVHX-NSHDSACASA-N 0 0 302.396 0.049 10 0 DCAERN CCCCN(C)S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000123610799 158231556 /nfs/dbraw/zinc/23/15/56/158231556.db2.gz ULGGNQZPPSXGCU-CYBMUJFWSA-N 0 0 305.444 0.416 10 0 DCAERN CC(C)c1nccn1CCC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000123677160 158232997 /nfs/dbraw/zinc/23/29/97/158232997.db2.gz KGYWQKBFFPGXSO-ZDUSSCGKSA-N 0 0 322.409 0.448 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000124115391 158238795 /nfs/dbraw/zinc/23/87/95/158238795.db2.gz AMIGTOOFMBVXHR-SNVBAGLBSA-N 0 0 306.366 0.253 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1cccs1 ZINC000125394828 158255513 /nfs/dbraw/zinc/25/55/13/158255513.db2.gz AYTPPBDCJWOYRN-VHSXEESVSA-N 0 0 309.391 0.590 10 0 DCAERN COC(=O)[C@@H](C)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000125712120 158259028 /nfs/dbraw/zinc/25/90/28/158259028.db2.gz NJKMMAJGESMWGM-JTQLQIEISA-N 0 0 305.334 0.597 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@@H](O)C(C)C ZINC000126259204 158263389 /nfs/dbraw/zinc/26/33/89/158263389.db2.gz UTCAHPXQFXUGBV-SNVBAGLBSA-N 0 0 319.379 0.978 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000126467265 158264966 /nfs/dbraw/zinc/26/49/66/158264966.db2.gz FBMUFFPCGHHIGT-NSHDSACASA-N 0 0 301.350 0.979 10 0 DCAERN O=C(Nc1cnn(-c2ccccc2)c1)N[C@H]1CCC(=O)NC1=O ZINC000126480436 158266169 /nfs/dbraw/zinc/26/61/69/158266169.db2.gz ADVPSALJSDDKQO-LBPRGKRZSA-N 0 0 313.317 0.799 10 0 DCAERN CC(C)(C)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000126819603 158268391 /nfs/dbraw/zinc/26/83/91/158268391.db2.gz NBDRWEJPOUCMRH-UHFFFAOYSA-N 0 0 306.414 0.696 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCC(=O)Nc2cc(F)ccc21 ZINC000126889329 158269093 /nfs/dbraw/zinc/26/90/93/158269093.db2.gz DGFJPGXULYTSIK-LBPRGKRZSA-N 0 0 321.352 0.958 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC000127143997 158271659 /nfs/dbraw/zinc/27/16/59/158271659.db2.gz TWIOLTTZOSTVTG-WXHSDQCUSA-N 0 0 307.350 0.189 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)CCO2)o1 ZINC000127412031 158273250 /nfs/dbraw/zinc/27/32/50/158273250.db2.gz DDCFVBVQCBEPIL-CMPLNLGQSA-N 0 0 316.379 0.426 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000127558926 158273921 /nfs/dbraw/zinc/27/39/21/158273921.db2.gz KKCOQVKCVMKOBM-ZDUSSCGKSA-N 0 0 304.394 0.766 10 0 DCAERN CN(C)c1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cn1 ZINC000127467515 158274248 /nfs/dbraw/zinc/27/42/48/158274248.db2.gz ZHMNYAGKPKVWCP-AWEZNQCLSA-N 0 0 304.394 0.741 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccn(C)c(=O)c3)[C@@H]2C1 ZINC000127790539 158275518 /nfs/dbraw/zinc/27/55/18/158275518.db2.gz KMJCHZHIOINGAH-MCIONIFRSA-N 0 0 306.362 0.794 10 0 DCAERN COCc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000129079723 158285246 /nfs/dbraw/zinc/28/52/46/158285246.db2.gz AOJLBSZMYXTSQI-OAHLLOKOSA-N 0 0 308.378 0.256 10 0 DCAERN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000129089263 158286715 /nfs/dbraw/zinc/28/67/15/158286715.db2.gz DIGNPAVYVUSAHV-ZYHUDNBSSA-N 0 0 312.391 0.559 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000129471929 158288826 /nfs/dbraw/zinc/28/88/26/158288826.db2.gz RMTIVYYRANFDDR-DGCLKSJQSA-N 0 0 312.414 0.016 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000129886379 158291811 /nfs/dbraw/zinc/29/18/11/158291811.db2.gz PCUWPNKSVMUYFK-HNNXBMFYSA-N 0 0 319.405 0.621 10 0 DCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000129878067 158292222 /nfs/dbraw/zinc/29/22/22/158292222.db2.gz ARGGAKVDMVNYME-CHWSQXEVSA-N 0 0 312.414 0.016 10 0 DCAERN CCc1onc(C)c1C(=O)NCCCN(C)S(=O)(=O)CC ZINC000130132913 158293399 /nfs/dbraw/zinc/29/33/99/158293399.db2.gz VWGZSVMGXLAHBJ-UHFFFAOYSA-N 0 0 317.411 0.947 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000132060416 158308039 /nfs/dbraw/zinc/30/80/39/158308039.db2.gz LAHWMXPPEZCZIX-LBPRGKRZSA-N 0 0 318.377 0.703 10 0 DCAERN CNC(=O)CC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000133306404 158318171 /nfs/dbraw/zinc/31/81/71/158318171.db2.gz CJBQTCUPPBWFMC-ZDUSSCGKSA-N 0 0 319.405 0.660 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(=O)n(C)c1)CC2 ZINC000133470810 158319278 /nfs/dbraw/zinc/31/92/78/158319278.db2.gz ZROOBMOSYOZLGM-LBPRGKRZSA-N 0 0 315.377 0.845 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(=O)n(C)n1)CC2 ZINC000134075894 158324098 /nfs/dbraw/zinc/32/40/98/158324098.db2.gz DWGIEZSZBKRMTD-SNVBAGLBSA-N 0 0 316.365 0.240 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)c1nc2ccccc2c(=O)[nH]1 ZINC000134178977 158324308 /nfs/dbraw/zinc/32/43/08/158324308.db2.gz JECMXGNGODXAQS-NSHDSACASA-N 0 0 317.345 0.849 10 0 DCAERN CC(C)CNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756610 158331024 /nfs/dbraw/zinc/33/10/24/158331024.db2.gz ZREOVCKGRMRGKT-GFCCVEGCSA-N 0 0 303.428 0.852 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)CC[C@@H]1CCOC1)CC2 ZINC000135195095 158335429 /nfs/dbraw/zinc/33/54/29/158335429.db2.gz FIWGSVSWNMOZSK-VXGBXAGGSA-N 0 0 308.382 0.672 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000135577893 158338661 /nfs/dbraw/zinc/33/86/61/158338661.db2.gz CQEGECMVPOBIHZ-YPMHNXCESA-N 0 0 316.423 0.580 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135723807 158339659 /nfs/dbraw/zinc/33/96/59/158339659.db2.gz YPPHWTTVFPOSNK-OLZOCXBDSA-N 0 0 306.366 0.898 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](C)CCOC)CCO2)[nH]1 ZINC000138313312 158346793 /nfs/dbraw/zinc/34/67/93/158346793.db2.gz IASOPOQLKDDLCY-MNOVXSKESA-N 0 0 311.386 0.875 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000139345604 158348052 /nfs/dbraw/zinc/34/80/52/158348052.db2.gz VMEXAMSCIJRLQB-GFCCVEGCSA-N 0 0 317.397 0.803 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCS1(=O)=O ZINC000163389434 158361422 /nfs/dbraw/zinc/36/14/22/158361422.db2.gz XWDXNOAKHVBHOG-DOMZBBRYSA-N 0 0 311.403 0.930 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCS1(=O)=O ZINC000163389626 158361812 /nfs/dbraw/zinc/36/18/12/158361812.db2.gz XWDXNOAKHVBHOG-IUODEOHRSA-N 0 0 311.403 0.930 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)[C@H](C)O)cc1 ZINC000167156434 158366898 /nfs/dbraw/zinc/36/68/98/158366898.db2.gz LTWSKJOZNBBMRY-JTQLQIEISA-N 0 0 314.407 0.874 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000166838073 158367459 /nfs/dbraw/zinc/36/74/59/158367459.db2.gz VTWRTIZDRWGXFL-CYBMUJFWSA-N 0 0 303.362 0.925 10 0 DCAERN CC(C)OCCCNC(=O)C(=O)NCCCN1CCCC1=O ZINC000170316017 158374409 /nfs/dbraw/zinc/37/44/09/158374409.db2.gz GSYQMRKGWVBYMQ-UHFFFAOYSA-N 0 0 313.398 0.046 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)OC(C)(C)C)CC2)n1 ZINC000170643846 158374752 /nfs/dbraw/zinc/37/47/52/158374752.db2.gz QVVUNVZIXRNZEU-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN CCn1c(C)nnc1CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000170778124 158377472 /nfs/dbraw/zinc/37/74/72/158377472.db2.gz XIKCSRDJNFMZNS-AWEZNQCLSA-N 0 0 321.425 0.820 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C(=O)C1CC1)CC2 ZINC000171339440 158381602 /nfs/dbraw/zinc/38/16/02/158381602.db2.gz VEFKPHLIJGRJII-CHWSQXEVSA-N 0 0 317.393 0.419 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171701230 158386491 /nfs/dbraw/zinc/38/64/91/158386491.db2.gz KTSYGNDYWXDPAA-STQMWFEESA-N 0 0 322.413 0.785 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)Nc1nncs1 ZINC000171994869 158389374 /nfs/dbraw/zinc/38/93/74/158389374.db2.gz DKQLCJWHCPAKRD-JTQLQIEISA-N 0 0 311.411 0.809 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000172087082 158390046 /nfs/dbraw/zinc/39/00/46/158390046.db2.gz WBENOUFLYWVAGR-HNNXBMFYSA-N 0 0 324.352 0.898 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cccc(OC)c1 ZINC000172200325 158392086 /nfs/dbraw/zinc/39/20/86/158392086.db2.gz SUBBJGLKTKGLDZ-CYBMUJFWSA-N 0 0 312.391 0.735 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000172423598 158394254 /nfs/dbraw/zinc/39/42/54/158394254.db2.gz QLUQIXWPXHFWDV-MFKMUULPSA-N 0 0 321.352 0.716 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1 ZINC000172449365 158394536 /nfs/dbraw/zinc/39/45/36/158394536.db2.gz QNOAQTCWUNUDJC-RYUDHWBXSA-N 0 0 324.402 0.864 10 0 DCAERN CCNS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000172457950 158394759 /nfs/dbraw/zinc/39/47/59/158394759.db2.gz USOWGHNDMRCAAJ-UHFFFAOYSA-N 0 0 315.443 0.265 10 0 DCAERN Cn1cc(NC(=O)NCCCOC[C@H]2CCOC2)ccc1=O ZINC000172592931 158396338 /nfs/dbraw/zinc/39/63/38/158396338.db2.gz GXHCGRQFOVUFRH-GFCCVEGCSA-N 0 0 309.366 0.950 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)n1 ZINC000172593944 158396360 /nfs/dbraw/zinc/39/63/60/158396360.db2.gz QHRMXOOHDFPLOB-JTQLQIEISA-N 0 0 305.338 0.097 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1F ZINC000172628389 158397628 /nfs/dbraw/zinc/39/76/28/158397628.db2.gz XMDARADRNHQKEP-JTQLQIEISA-N 0 0 300.355 0.883 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172753570 158399070 /nfs/dbraw/zinc/39/90/70/158399070.db2.gz BXTJLGQVCJBOPD-GJZGRUSLSA-N 0 0 312.410 0.505 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCOC3)C2)cn1 ZINC000173182633 158404137 /nfs/dbraw/zinc/40/41/37/158404137.db2.gz UWYQKHPVXUGWCF-QWHCGFSZSA-N 0 0 307.398 0.867 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCc3ccnn3C)C2)cn1 ZINC000174932369 158422321 /nfs/dbraw/zinc/42/23/21/158422321.db2.gz VHTKIFUWBLTDRQ-LBPRGKRZSA-N 0 0 317.397 0.622 10 0 DCAERN Cc1ccn2ncc(C(=O)NC[C@H](O)COCC(C)C)c2n1 ZINC000176366633 158436699 /nfs/dbraw/zinc/43/66/99/158436699.db2.gz WYPSYXHSMHFIEY-LBPRGKRZSA-N 0 0 306.366 0.801 10 0 DCAERN COc1cccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC000176691606 158440247 /nfs/dbraw/zinc/44/02/47/158440247.db2.gz AEDUWAZWMPTDCO-UHFFFAOYSA-N 0 0 312.391 0.921 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC3(C)COC3)C2)cn1 ZINC000176697684 158441281 /nfs/dbraw/zinc/44/12/81/158441281.db2.gz QURAHFVILKZXFH-LBPRGKRZSA-N 0 0 307.398 0.725 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@@H](C)COC)CC2 ZINC000176898743 158442667 /nfs/dbraw/zinc/44/26/67/158442667.db2.gz VWEIEYFTNVZFDX-WDEREUQCSA-N 0 0 311.386 0.416 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000178722019 158462433 /nfs/dbraw/zinc/46/24/33/158462433.db2.gz URWWUKFABSGVNI-ZDUSSCGKSA-N 0 0 311.426 0.768 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(-n2cnnn2)c1)C(C)C ZINC000178727550 158463175 /nfs/dbraw/zinc/46/31/75/158463175.db2.gz JQYNWQACHNOWSL-GFCCVEGCSA-N 0 0 302.338 0.163 10 0 DCAERN CC1(Cn2cc(C(=O)N3CC[C@@H]4OCCC[C@H]4C3)nn2)COC1 ZINC000185163968 158515376 /nfs/dbraw/zinc/51/53/76/158515376.db2.gz JACHQROSIKDNDU-JSGCOSHPSA-N 0 0 320.393 0.956 10 0 DCAERN COc1cc(NC(=O)C(=O)NCCc2ccsc2)ncn1 ZINC000185504454 158521824 /nfs/dbraw/zinc/52/18/24/158521824.db2.gz PFZLCZVRDSPNGQ-UHFFFAOYSA-N 0 0 306.347 0.844 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000186202491 158528433 /nfs/dbraw/zinc/52/84/33/158528433.db2.gz WRHFEGGICXCYFT-CYBMUJFWSA-N 0 0 321.425 0.863 10 0 DCAERN COC(=O)C1(CNC(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000186587417 158533236 /nfs/dbraw/zinc/53/32/36/158533236.db2.gz SFCJCKGBSOQRBN-UHFFFAOYSA-N 0 0 308.382 0.832 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)CCSc1nnnn1C ZINC000186659868 158533359 /nfs/dbraw/zinc/53/33/59/158533359.db2.gz ULUYJRLBAWHKJH-SNVBAGLBSA-N 0 0 301.416 0.558 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188066904 158542531 /nfs/dbraw/zinc/54/25/31/158542531.db2.gz RZFJSAUHBAWOSQ-OAQYLSRUSA-N 0 0 310.423 0.704 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189719280 158554154 /nfs/dbraw/zinc/55/41/54/158554154.db2.gz NYYDJSNYISLQBN-UHFFFAOYSA-N 0 0 314.411 0.192 10 0 DCAERN CCN1CN(C(=O)NCCCN(C)CC(F)(F)F)CC1=O ZINC000189772380 158555502 /nfs/dbraw/zinc/55/55/02/158555502.db2.gz HALVXYWRCFQATQ-UHFFFAOYSA-N 0 0 310.320 0.702 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189786989 158555512 /nfs/dbraw/zinc/55/55/12/158555512.db2.gz BNMIOSKYORIAER-ZDUSSCGKSA-N 0 0 319.409 0.625 10 0 DCAERN CN1CCCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1=O ZINC000189794988 158555724 /nfs/dbraw/zinc/55/57/24/158555724.db2.gz CGYGDZIZNSXJGI-UHFFFAOYSA-N 0 0 313.361 0.636 10 0 DCAERN CCN1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000190499763 158560702 /nfs/dbraw/zinc/56/07/02/158560702.db2.gz IPDNAJYNRXSETD-GFCCVEGCSA-N 0 0 319.361 0.923 10 0 DCAERN CC(C)N(C)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000190861703 158564127 /nfs/dbraw/zinc/56/41/27/158564127.db2.gz DQALEAWTBYGKTJ-LBPRGKRZSA-N 0 0 303.428 0.947 10 0 DCAERN CN1CCCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1=O ZINC000191100492 158565968 /nfs/dbraw/zinc/56/59/68/158565968.db2.gz AHGKUERZUCWYPU-UHFFFAOYSA-N 0 0 316.361 0.136 10 0 DCAERN COCCN1CCCN(C(=O)CCc2cnn(C)c2)CC1=O ZINC000191231160 158566610 /nfs/dbraw/zinc/56/66/10/158566610.db2.gz NTVOLMLXPAFCTM-UHFFFAOYSA-N 0 0 308.382 0.060 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C3(C(=O)NC)CC3)CC2)[nH]1 ZINC000191495144 158568151 /nfs/dbraw/zinc/56/81/51/158568151.db2.gz IGEPFZYTJOQPER-UHFFFAOYSA-N 0 0 305.382 0.599 10 0 DCAERN CCN1CN(C[C@@H](O)COCc2ccccc2OC)CC1=O ZINC000191549344 158569271 /nfs/dbraw/zinc/56/92/71/158569271.db2.gz YZCAISDSKATIAK-CQSZACIVSA-N 0 0 308.378 0.694 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000192531275 158575685 /nfs/dbraw/zinc/57/56/85/158575685.db2.gz UMXSAZPJCVXFHW-NSHDSACASA-N 0 0 308.407 0.849 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NCCOCCS(C)(=O)=O ZINC000193624318 158587611 /nfs/dbraw/zinc/58/76/11/158587611.db2.gz KNSVQXMXODCWRY-UHFFFAOYSA-N 0 0 303.384 0.324 10 0 DCAERN CCc1noc([C@H](C)N2CCN(Cc3nnn(C)n3)CC2)n1 ZINC000194445407 158597446 /nfs/dbraw/zinc/59/74/46/158597446.db2.gz BXVLVLMPVLBTAJ-JTQLQIEISA-N 0 0 306.374 0.034 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246991379 158674264 /nfs/dbraw/zinc/67/42/64/158674264.db2.gz PGJIUQXTBRMIEI-ZENOOKHLSA-N 0 0 319.409 0.930 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CN(C(C)=O)C1 ZINC000249081790 158702431 /nfs/dbraw/zinc/70/24/31/158702431.db2.gz SOQREIYNZBRIFI-YUTCNCBUSA-N 0 0 308.378 0.797 10 0 DCAERN Cc1ccc(N(C)C2CCN(Cc3noc(CN)n3)CC2)nn1 ZINC000262302156 158794877 /nfs/dbraw/zinc/79/48/77/158794877.db2.gz XQHHSSDZBGBEQE-UHFFFAOYSA-N 0 0 317.397 0.728 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccccc2Br)C1 ZINC000276544218 158948370 /nfs/dbraw/zinc/94/83/70/158948370.db2.gz WTSZGRXUNJAOMC-LBPRGKRZSA-N 0 0 313.151 0.511 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000285036495 158963415 /nfs/dbraw/zinc/96/34/15/158963415.db2.gz NATFVGQCHANNDN-NWDGAFQWSA-N 0 0 303.355 0.904 10 0 DCAERN C[C@H](O)C(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000305699588 158991900 /nfs/dbraw/zinc/99/19/00/158991900.db2.gz BEBMMOPDFZCCAC-QWRGUYRKSA-N 0 0 310.398 0.953 10 0 DCAERN O=C(NCCCn1cc(Br)cn1)[C@H]1CNC(=O)C1 ZINC000310964294 158995475 /nfs/dbraw/zinc/99/54/75/158995475.db2.gz AZUCFTPFOFWJLR-MRVPVSSYSA-N 0 0 315.171 0.288 10 0 DCAERN C[C@@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)N1CCN(C)CC1 ZINC000328642394 159016769 /nfs/dbraw/zinc/01/67/69/159016769.db2.gz DVDFDMUSWHMCNS-GOEBONIOSA-N 0 0 317.437 0.190 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000328657485 159017470 /nfs/dbraw/zinc/01/74/70/159017470.db2.gz PBWPGPRMPZAMDB-LSDHHAIUSA-N 0 0 322.430 0.906 10 0 DCAERN C[C@@H](C(=O)N1CCN[C@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660477 159017585 /nfs/dbraw/zinc/01/75/85/159017585.db2.gz VLJIEOZWKCQDTC-ZFWWWQNUSA-N 0 0 304.394 0.275 10 0 DCAERN C[C@@H]1CN(c2nnc(-c3cccnc3)n2C)CCS1(=O)=O ZINC000328651994 159017635 /nfs/dbraw/zinc/01/76/35/159017635.db2.gz BRBYTMBLUIWHHW-SNVBAGLBSA-N 0 0 307.379 0.500 10 0 DCAERN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000328658449 159017709 /nfs/dbraw/zinc/01/77/09/159017709.db2.gz RBTCDXPLOUUJFV-CABCVRRESA-N 0 0 321.421 0.463 10 0 DCAERN O=C([C@H]1COCCN1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669656 159019373 /nfs/dbraw/zinc/01/93/73/159019373.db2.gz FXBXFISAOZIYHU-QLFBSQMISA-N 0 0 310.394 0.114 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328676818 159020711 /nfs/dbraw/zinc/02/07/11/159020711.db2.gz RWZXTELOHSZWBP-NWDGAFQWSA-N 0 0 311.382 0.327 10 0 DCAERN Cc1nnc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)s1 ZINC000328697652 159022393 /nfs/dbraw/zinc/02/23/93/159022393.db2.gz DQDZRJBDOHBCPF-UWVGGRQHSA-N 0 0 322.369 0.983 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000328735715 159025596 /nfs/dbraw/zinc/02/55/96/159025596.db2.gz ZEVTUSWWOVKQNW-RYUDHWBXSA-N 0 0 320.324 0.941 10 0 DCAERN COCCN1CN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1=O ZINC000328754324 159026257 /nfs/dbraw/zinc/02/62/57/159026257.db2.gz SGQRQVBHGRRROV-GFCCVEGCSA-N 0 0 311.382 0.052 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@@H](C)O1 ZINC000328824614 159032388 /nfs/dbraw/zinc/03/23/88/159032388.db2.gz RPTWCDVREQPGFA-RKDXNWHRSA-N 0 0 303.322 0.862 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@@H]21 ZINC000328867532 159036020 /nfs/dbraw/zinc/03/60/20/159036020.db2.gz GZTKFQUBCQOUNA-VHSXEESVSA-N 0 0 309.391 0.392 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@H](C)CN2CCCC2=O)no1 ZINC000328891717 159038257 /nfs/dbraw/zinc/03/82/57/159038257.db2.gz SOQVOXZWXGUWLP-SECBINFHSA-N 0 0 301.368 0.413 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328903373 159039268 /nfs/dbraw/zinc/03/92/68/159039268.db2.gz HUQUFXKFMJYFNE-RRFJBIMHSA-N 0 0 309.410 0.176 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000329028694 159054217 /nfs/dbraw/zinc/05/42/17/159054217.db2.gz KNDHRMJDHJLJDP-WDEREUQCSA-N 0 0 311.407 0.131 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)CN1CCCS1(=O)=O ZINC000329135959 159066829 /nfs/dbraw/zinc/06/68/29/159066829.db2.gz CMBRMUMGRDFIGQ-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000329146345 159067974 /nfs/dbraw/zinc/06/79/74/159067974.db2.gz XEVSOKUQHURBJJ-HOCLYGCPSA-N 0 0 309.410 0.057 10 0 DCAERN Cc1nccc(CCC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000329210662 159073336 /nfs/dbraw/zinc/07/33/36/159073336.db2.gz ZSEVQPHQKALVTL-LSDHHAIUSA-N 0 0 304.394 0.649 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 ZINC000329229196 159074685 /nfs/dbraw/zinc/07/46/85/159074685.db2.gz CKBVBSVEMRFHRO-VXGBXAGGSA-N 0 0 300.384 0.281 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)O1 ZINC000329248360 159076678 /nfs/dbraw/zinc/07/66/78/159076678.db2.gz WPSMWQUXCKOHHH-RQJABVFESA-N 0 0 310.394 0.507 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329277163 159078054 /nfs/dbraw/zinc/07/80/54/159078054.db2.gz JFDUIYGDXBSWFL-FPMFFAJLSA-N 0 0 306.366 0.445 10 0 DCAERN O=C1[C@@H](Nc2cncc3nncn32)CCN1C1CCOCC1 ZINC000329299792 159081518 /nfs/dbraw/zinc/08/15/18/159081518.db2.gz MCVFJNIRYVNMCL-NSHDSACASA-N 0 0 302.338 0.316 10 0 DCAERN O=C(N1CCc2cncnc2C1)C1(N2CCOCC2)CCC1 ZINC000329321093 159082458 /nfs/dbraw/zinc/08/24/58/159082458.db2.gz GNOIXRWNGRZLCQ-UHFFFAOYSA-N 0 0 302.378 0.616 10 0 DCAERN O=C(CN1CCn2ccnc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329350871 159084889 /nfs/dbraw/zinc/08/48/89/159084889.db2.gz TXXFBBVHXSROIK-KBPBESRZSA-N 0 0 304.394 0.869 10 0 DCAERN CC[C@H]1CO[C@@H](C)CN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329359730 159085662 /nfs/dbraw/zinc/08/56/62/159085662.db2.gz BXJSZNKXOAYNNW-CDGCEXEKSA-N 0 0 324.381 0.504 10 0 DCAERN CC(C)(C(=O)N1CCC[C@](F)(CO)C1)S(=O)(=O)C1CC1 ZINC000329432732 159092726 /nfs/dbraw/zinc/09/27/26/159092726.db2.gz IEIJBDFXGVDTMQ-CYBMUJFWSA-N 0 0 307.387 0.665 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000329510056 159097672 /nfs/dbraw/zinc/09/76/72/159097672.db2.gz XIQUHOQBSYMTTK-HUUCEWRRSA-N 0 0 323.437 0.568 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000329592340 159105374 /nfs/dbraw/zinc/10/53/74/159105374.db2.gz UICGEGRNYOLCRN-RRFJBIMHSA-N 0 0 324.421 0.776 10 0 DCAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000329616894 159107339 /nfs/dbraw/zinc/10/73/39/159107339.db2.gz SPCXODMDDBIODF-AVGNSLFASA-N 0 0 321.464 0.873 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329723002 159113751 /nfs/dbraw/zinc/11/37/51/159113751.db2.gz CPIWDEYEJCKPAM-WHOFXGATSA-N 0 0 313.357 0.626 10 0 DCAERN CCC[C@]1(CO)CCN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000329724399 159115529 /nfs/dbraw/zinc/11/55/29/159115529.db2.gz NYOVPYIFCNOLFQ-WWGRRREGSA-N 0 0 312.410 0.633 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000329753676 159117664 /nfs/dbraw/zinc/11/76/64/159117664.db2.gz WWHBCMMPPPVLGO-BBRMVZONSA-N 0 0 309.410 0.036 10 0 DCAERN COCCC(=O)N1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000329991709 159134404 /nfs/dbraw/zinc/13/44/04/159134404.db2.gz KBAKIPAVQIAHSA-UHFFFAOYSA-N 0 0 318.439 0.687 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CCN1CCO ZINC000330056407 159138717 /nfs/dbraw/zinc/13/87/17/159138717.db2.gz VUZVVZXIRFMYDX-VNQPRFMTSA-N 0 0 319.405 0.684 10 0 DCAERN CCc1nnc(C2CCN(C(=O)Cn3cccnc3=O)CC2)[nH]1 ZINC000330063360 159138760 /nfs/dbraw/zinc/13/87/60/159138760.db2.gz BLALYDGOEOEESD-UHFFFAOYSA-N 0 0 316.365 0.330 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@]1(O)CCSC1)C2 ZINC000330092081 159141019 /nfs/dbraw/zinc/14/10/19/159141019.db2.gz QLSUPIJPJZBZIV-AWEZNQCLSA-N 0 0 309.391 0.016 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330127470 159144082 /nfs/dbraw/zinc/14/40/82/159144082.db2.gz JBDHMOWASIGFFC-GHMZBOCLSA-N 0 0 323.422 0.822 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@H](C2CC2)C1 ZINC000330131482 159144182 /nfs/dbraw/zinc/14/41/82/159144182.db2.gz KZHGURKYYYDFOW-JTQLQIEISA-N 0 0 302.338 0.046 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@]2(OC)CCOC2)C1 ZINC000330186129 159148716 /nfs/dbraw/zinc/14/87/16/159148716.db2.gz JOVHYZDBOQXAMI-GYSYKLTISA-N 0 0 311.338 0.472 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000330294561 159157373 /nfs/dbraw/zinc/15/73/73/159157373.db2.gz IQFQSNQCSJXWLM-JHTDMNASSA-N 0 0 318.464 0.667 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@]2(O)CCSC2)C1 ZINC000330354658 159162220 /nfs/dbraw/zinc/16/22/20/159162220.db2.gz PRFHFJGOZLOCHP-CWSCBRNRSA-N 0 0 313.379 0.534 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000330359985 159163263 /nfs/dbraw/zinc/16/32/63/159163263.db2.gz WPHFLNKPMKPOHG-RWMBFGLXSA-N 0 0 323.418 0.831 10 0 DCAERN O=S(=O)(NCCN1C[C@@H](F)C[C@H]1CO)c1ccccc1 ZINC000330576810 159196513 /nfs/dbraw/zinc/19/65/13/159196513.db2.gz RHQIWYSOCYTXPY-RYUDHWBXSA-N 0 0 302.371 0.370 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)N[C@H]3CCO[C@H]3C3CC3)CCO2)[nH]1 ZINC000332751698 159212503 /nfs/dbraw/zinc/21/25/03/159212503.db2.gz BKSIEXGXVUUNNN-AVGNSLFASA-N 0 0 321.381 0.764 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000332760595 159213856 /nfs/dbraw/zinc/21/38/56/159213856.db2.gz XWQDHCVDACNHLD-AVGNSLFASA-N 0 0 310.398 0.657 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCO[C@@H](C)C2)nn1 ZINC000332907160 159216538 /nfs/dbraw/zinc/21/65/38/159216538.db2.gz VVDBVBJOGPZRLT-YRRQLQLVSA-N 0 0 310.354 0.162 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000366818310 159290422 /nfs/dbraw/zinc/29/04/22/159290422.db2.gz KFTNEIMKXXYRKE-SMDDNHRTSA-N 0 0 304.394 0.919 10 0 DCAERN CC1(C)CN(C(=O)NOC[C@H]2CCOC2)C[C@@]2(CCOC2)O1 ZINC000366820766 159290855 /nfs/dbraw/zinc/29/08/55/159290855.db2.gz CPNQCKJSQQPTJC-SWLSCSKDSA-N 0 0 314.382 0.934 10 0 DCAERN CCS(=O)(=O)NCCN1CCCC[C@H]1c1ccnn1C ZINC000366864983 159293644 /nfs/dbraw/zinc/29/36/44/159293644.db2.gz BGEJPIUGHOAFSI-ZDUSSCGKSA-N 0 0 300.428 0.886 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000367618849 159347509 /nfs/dbraw/zinc/34/75/09/159347509.db2.gz OJQUDLPGSISBLS-ZRJCITRHSA-N 0 0 307.394 0.513 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)S(C)(=O)=O ZINC000367994562 159368987 /nfs/dbraw/zinc/36/89/87/159368987.db2.gz LJMQXFKBWHMUFH-QWRGUYRKSA-N 0 0 302.375 0.280 10 0 DCAERN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cccc(O)c2)C1=O ZINC000367998859 159369705 /nfs/dbraw/zinc/36/97/05/159369705.db2.gz IIHNUROZGKWHPZ-BDJLRTHQSA-N 0 0 317.345 0.843 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 ZINC000368143457 159378202 /nfs/dbraw/zinc/37/82/02/159378202.db2.gz DDIRXSHRSGGGGV-CHWSQXEVSA-N 0 0 317.455 0.547 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000368151887 159378797 /nfs/dbraw/zinc/37/87/97/159378797.db2.gz ODXSJYNUPIUMMZ-AVGNSLFASA-N 0 0 312.366 0.527 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N(C)CC1CC1)C2 ZINC000559589783 288475876 /nfs/dbraw/zinc/47/58/76/288475876.db2.gz OHTHASQAIRNIGD-CYBMUJFWSA-N 0 0 302.378 0.627 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCN3CCOC[C@H]3C2)nn1 ZINC000371794733 159586278 /nfs/dbraw/zinc/58/62/78/159586278.db2.gz IKCPSVXOHUTKNX-CYBMUJFWSA-N 0 0 307.398 0.481 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)ccc1F ZINC000371869218 159591625 /nfs/dbraw/zinc/59/16/25/159591625.db2.gz FEHRRKKJWOEADB-ZDUSSCGKSA-N 0 0 321.352 0.941 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000376281147 159848672 /nfs/dbraw/zinc/84/86/72/159848672.db2.gz JYECIZTVMOJUSK-WCFLWFBJSA-N 0 0 312.435 0.917 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000377167860 159902803 /nfs/dbraw/zinc/90/28/03/159902803.db2.gz OEDVGYDATWDHQF-JSGCOSHPSA-N 0 0 305.382 0.126 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000377167859 159902895 /nfs/dbraw/zinc/90/28/95/159902895.db2.gz OEDVGYDATWDHQF-GXTWGEPZSA-N 0 0 305.382 0.126 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1=O ZINC000407971042 160000246 /nfs/dbraw/zinc/00/02/46/160000246.db2.gz NFIOPMDGXPZYPQ-GFCCVEGCSA-N 0 0 308.382 0.012 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000407973254 160000281 /nfs/dbraw/zinc/00/02/81/160000281.db2.gz XNLKSKRDYNVSSZ-IAQYHMDHSA-N 0 0 311.382 0.449 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)c2cncc(F)c2)CC1 ZINC000407994633 160005886 /nfs/dbraw/zinc/00/58/86/160005886.db2.gz DDYMHGZZEHENNF-UHFFFAOYSA-N 0 0 315.370 0.710 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000407997584 160007027 /nfs/dbraw/zinc/00/70/27/160007027.db2.gz PJERJHNSHQHEEX-NSHDSACASA-N 0 0 305.444 0.715 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c[nH]1 ZINC000407998485 160007264 /nfs/dbraw/zinc/00/72/64/160007264.db2.gz RZXAWAQTYNUMOX-LBPRGKRZSA-N 0 0 308.407 0.898 10 0 DCAERN CN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H](CO)C(C)(C)C ZINC000408018172 160012938 /nfs/dbraw/zinc/01/29/38/160012938.db2.gz PXEAVPBUKAULBB-GHMZBOCLSA-N 0 0 306.428 0.564 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CCO1 ZINC000408030326 160017072 /nfs/dbraw/zinc/01/70/72/160017072.db2.gz FYGUFSVNOFYCFG-RYUDHWBXSA-N 0 0 312.366 0.034 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000408032654 160018060 /nfs/dbraw/zinc/01/80/60/160018060.db2.gz ZVYDFLQROIZHLK-BXKDBHETSA-N 0 0 300.384 0.021 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)n(C)n1 ZINC000408035808 160018789 /nfs/dbraw/zinc/01/87/89/160018789.db2.gz NPPHNYIZYQDJHY-GFCCVEGCSA-N 0 0 304.354 0.549 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000408035101 160018917 /nfs/dbraw/zinc/01/89/17/160018917.db2.gz JSVREYCBJLDBPO-ZDUSSCGKSA-N 0 0 312.410 0.897 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3cn(C)nc3C)CCN2C)n1 ZINC000408036155 160018938 /nfs/dbraw/zinc/01/89/38/160018938.db2.gz QQHOFORAXYNUBN-LBPRGKRZSA-N 0 0 304.354 0.549 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1COCCN1C)CC2 ZINC000408038321 160019453 /nfs/dbraw/zinc/01/94/53/160019453.db2.gz KAQWDFUUDJVCAR-MELADBBJSA-N 0 0 312.410 0.096 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCCO2)C[C@H](C)O1 ZINC000408040876 160020254 /nfs/dbraw/zinc/02/02/54/160020254.db2.gz KCCCHXIKFOLSML-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000408041177 160020938 /nfs/dbraw/zinc/02/09/38/160020938.db2.gz BMRKVZYARXXHJT-OAHLLOKOSA-N 0 0 302.334 0.875 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000408052340 160023389 /nfs/dbraw/zinc/02/33/89/160023389.db2.gz UEFXDRKQNZPHSD-CZUORRHYSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000408051093 160023466 /nfs/dbraw/zinc/02/34/66/160023466.db2.gz NILHEZSPHUGTIC-MRXNPFEDSA-N 0 0 320.393 0.489 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408054285 160024286 /nfs/dbraw/zinc/02/42/86/160024286.db2.gz LQQQWOFQFQNTRK-UPJWGTAASA-N 0 0 309.410 0.747 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000408054443 160024526 /nfs/dbraw/zinc/02/45/26/160024526.db2.gz SFRZOFMNFILXNT-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1[nH]nc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1C ZINC000408054131 160024598 /nfs/dbraw/zinc/02/45/98/160024598.db2.gz RBXYIRWBBYEHMM-NEPJUHHUSA-N 0 0 324.356 0.438 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)nc1C ZINC000408058815 160025971 /nfs/dbraw/zinc/02/59/71/160025971.db2.gz MJMZKNLCWLDXNY-GXSJLCMTSA-N 0 0 314.411 0.486 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c[nH]1 ZINC000408075544 160029961 /nfs/dbraw/zinc/02/99/61/160029961.db2.gz YOXXZDUAZJOQDD-STQMWFEESA-N 0 0 307.350 0.346 10 0 DCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408074446 160030306 /nfs/dbraw/zinc/03/03/06/160030306.db2.gz UAQWTXGQCILPTJ-UWVGGRQHSA-N 0 0 303.380 0.221 10 0 DCAERN CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CCOCC1 ZINC000408076909 160030671 /nfs/dbraw/zinc/03/06/71/160030671.db2.gz POMGYQADECBIIJ-YNEHKIRRSA-N 0 0 311.378 0.576 10 0 DCAERN C[C@H]1CC(C(=O)N2CCN(CCn3cncn3)CC2)C[C@H](C)O1 ZINC000408077608 160030712 /nfs/dbraw/zinc/03/07/12/160030712.db2.gz ZUIJXQACVAIKOC-KBPBESRZSA-N 0 0 321.425 0.626 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000408079458 160031311 /nfs/dbraw/zinc/03/13/11/160031311.db2.gz NEBSQUWVMJZBIY-NSHDSACASA-N 0 0 301.350 0.925 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000408086641 160032563 /nfs/dbraw/zinc/03/25/63/160032563.db2.gz KRPZSPLYUOZJCB-SNVBAGLBSA-N 0 0 300.384 0.180 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CO)nc1C ZINC000408091197 160033368 /nfs/dbraw/zinc/03/33/68/160033368.db2.gz UCPSZWPIFSUKQP-PWSUYJOCSA-N 0 0 301.412 0.993 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000408093621 160034277 /nfs/dbraw/zinc/03/42/77/160034277.db2.gz WBEGZTOHJSBEKD-CQSZACIVSA-N 0 0 317.393 0.526 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408099973 160035593 /nfs/dbraw/zinc/03/55/93/160035593.db2.gz OOCGEJOYVIQNLP-CHWFTXMASA-N 0 0 312.457 0.042 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@@H]1O ZINC000408105152 160036384 /nfs/dbraw/zinc/03/63/84/160036384.db2.gz ODUWYJDJOFRINL-MROQNXINSA-N 0 0 313.398 0.035 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408104851 160036505 /nfs/dbraw/zinc/03/65/05/160036505.db2.gz RHDYHKOZJZWILC-PWSUYJOCSA-N 0 0 310.316 0.623 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CCS1 ZINC000408112895 160038653 /nfs/dbraw/zinc/03/86/53/160038653.db2.gz QVDWDQXDGNYPHA-SECBINFHSA-N 0 0 315.420 0.697 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000408113166 160038694 /nfs/dbraw/zinc/03/86/94/160038694.db2.gz QNVBLXCAYDOMKW-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000408118767 160040306 /nfs/dbraw/zinc/04/03/06/160040306.db2.gz WVHQKLWRLYIWCW-RYUDHWBXSA-N 0 0 300.380 0.600 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408130822 160043443 /nfs/dbraw/zinc/04/34/43/160043443.db2.gz WLRCKYOTSBKISO-SNVBAGLBSA-N 0 0 317.345 0.616 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000408132089 160044071 /nfs/dbraw/zinc/04/40/71/160044071.db2.gz JGOMYVYBSNKTGP-UONOGXRCSA-N 0 0 319.471 0.472 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)CC(C)C)CC2 ZINC000408132005 160044348 /nfs/dbraw/zinc/04/43/48/160044348.db2.gz ICOVEOTWNBOKKN-LLVKDONJSA-N 0 0 315.443 0.578 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CCN1CCOC ZINC000408132785 160044415 /nfs/dbraw/zinc/04/44/15/160044415.db2.gz LNFLFGNGBBUSNX-KGLIPLIRSA-N 0 0 319.471 0.616 10 0 DCAERN CS(=O)(=O)CCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000408146190 160047843 /nfs/dbraw/zinc/04/78/43/160047843.db2.gz YHVCIXOYTJOPFP-GFCCVEGCSA-N 0 0 303.428 0.301 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000408150429 160048598 /nfs/dbraw/zinc/04/85/98/160048598.db2.gz MLCODORKYOGNTD-UHFFFAOYSA-N 0 0 316.365 0.456 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)CCO1 ZINC000408160939 160050154 /nfs/dbraw/zinc/05/01/54/160050154.db2.gz YCQMTRMPWQFULV-GRYCIOLGSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1 ZINC000408162614 160050323 /nfs/dbraw/zinc/05/03/23/160050323.db2.gz XYLXDNHOTXDHAD-CHWSQXEVSA-N 0 0 309.410 0.810 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCn2ccnc2C1 ZINC000408163135 160050461 /nfs/dbraw/zinc/05/04/61/160050461.db2.gz BPJCVDHVCOZIBQ-VIFPVBQESA-N 0 0 316.283 0.636 10 0 DCAERN COc1cc(C)c(CN2CCN(S(C)(=O)=O)CC2)c(C)n1 ZINC000408170529 160052136 /nfs/dbraw/zinc/05/21/36/160052136.db2.gz FIMKINFDYJSLML-UHFFFAOYSA-N 0 0 313.423 0.784 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408173998 160052781 /nfs/dbraw/zinc/05/27/81/160052781.db2.gz OUAMQNNWRZRELE-JTQLQIEISA-N 0 0 311.382 0.517 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1C ZINC000408174983 160052787 /nfs/dbraw/zinc/05/27/87/160052787.db2.gz VWMJGZHIQQFXLP-NSHDSACASA-N 0 0 314.411 0.428 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCCn2ccnn2)C1 ZINC000408182039 160054512 /nfs/dbraw/zinc/05/45/12/160054512.db2.gz HXHKUBZETWTHHK-TXEJJXNPSA-N 0 0 301.416 0.481 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000408186732 160055037 /nfs/dbraw/zinc/05/50/37/160055037.db2.gz WONGOOJNERLDJN-JTQLQIEISA-N 0 0 300.384 0.355 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(C(F)(F)F)CC1 ZINC000408186327 160055235 /nfs/dbraw/zinc/05/52/35/160055235.db2.gz RYJBWHIEXRIUSI-UHFFFAOYSA-N 0 0 302.318 0.679 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000408188894 160056127 /nfs/dbraw/zinc/05/61/27/160056127.db2.gz UVDNELNGNBCEKE-UBHSHLNASA-N 0 0 324.402 0.438 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000408188892 160056353 /nfs/dbraw/zinc/05/63/53/160056353.db2.gz UVDNELNGNBCEKE-FPMFFAJLSA-N 0 0 324.402 0.438 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)ccc1F ZINC000408191599 160057020 /nfs/dbraw/zinc/05/70/20/160057020.db2.gz HCTXHIJMVKTVLH-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)CCS1(=O)=O ZINC000408198258 160057407 /nfs/dbraw/zinc/05/74/07/160057407.db2.gz QGRWCUFHHWEZDO-NSHDSACASA-N 0 0 324.402 0.648 10 0 DCAERN CCc1nc(C(=O)N2CCN(S(=O)(=O)CC)CC2)co1 ZINC000408195914 160057680 /nfs/dbraw/zinc/05/76/80/160057680.db2.gz WNYCMYJKHZSHCF-UHFFFAOYSA-N 0 0 301.368 0.345 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)c2n1 ZINC000408197587 160057701 /nfs/dbraw/zinc/05/77/01/160057701.db2.gz KPYMWBCLMXLCMP-JTQLQIEISA-N 0 0 308.363 0.297 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(c3nccn3C)CC2)CC(=O)N1 ZINC000408200919 160058162 /nfs/dbraw/zinc/05/81/62/160058162.db2.gz FUARPWDNVYVCBJ-STQMWFEESA-N 0 0 319.409 0.374 10 0 DCAERN CN1C[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)CCC1=O ZINC000408203765 160059429 /nfs/dbraw/zinc/05/94/29/160059429.db2.gz RUJNGKQHXBUONF-GFCCVEGCSA-N 0 0 310.375 0.616 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408206985 160060124 /nfs/dbraw/zinc/06/01/24/160060124.db2.gz VAPAYTUTSHKXIH-QWHCGFSZSA-N 0 0 324.425 0.540 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000408212928 160061638 /nfs/dbraw/zinc/06/16/38/160061638.db2.gz ARAMDKZIKZYGEI-XIKOKIGWSA-N 0 0 310.485 0.358 10 0 DCAERN C[C@H]1CCCN(C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215839 160061767 /nfs/dbraw/zinc/06/17/67/160061767.db2.gz ANXUIJGQRMBPAX-STQMWFEESA-N 0 0 302.440 0.611 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408225467 160064215 /nfs/dbraw/zinc/06/42/15/160064215.db2.gz KODQMOGVCNTVTA-WPRPVWTQSA-N 0 0 312.313 0.434 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3[C@@H](C)C3(F)F)CC2)no1 ZINC000408230861 160064351 /nfs/dbraw/zinc/06/43/51/160064351.db2.gz DJZDCTMHDFSXKN-LDYMZIIASA-N 0 0 300.309 0.923 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000408231390 160064993 /nfs/dbraw/zinc/06/49/93/160064993.db2.gz HQWFASWORYMKGG-ZDUSSCGKSA-N 0 0 302.440 0.944 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408234432 160065801 /nfs/dbraw/zinc/06/58/01/160065801.db2.gz FJTGBLHGNJTLMP-VIFPVBQESA-N 0 0 314.411 0.365 10 0 DCAERN O=S(=O)(N(C[C@@H]1CCCO1)C1CCCC1)N1CCOCC1 ZINC000408235114 160065884 /nfs/dbraw/zinc/06/58/84/160065884.db2.gz HCVHQAAKPRUPCW-AWEZNQCLSA-N 0 0 318.439 0.987 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCCO2)[C@H](C)CO1 ZINC000408235633 160065890 /nfs/dbraw/zinc/06/58/90/160065890.db2.gz KUZPNDWMMKCJNU-UPJWGTAASA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)C[C@H]2CCCCO2)CC1=O ZINC000408235795 160066298 /nfs/dbraw/zinc/06/62/98/160066298.db2.gz FWQUFDLSVSUUQF-LPWJVIDDSA-N 0 0 316.423 0.484 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CC(=O)N(C)C)CC2)C1 ZINC000408235131 160066538 /nfs/dbraw/zinc/06/65/38/160066538.db2.gz IUYHWBGZQJXMHR-ZDUSSCGKSA-N 0 0 323.437 0.962 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC000408241184 160067205 /nfs/dbraw/zinc/06/72/05/160067205.db2.gz IATYBJJLYUNCHW-ZDUSSCGKSA-N 0 0 320.455 0.131 10 0 DCAERN CN(C)c1nc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(=O)[nH]1 ZINC000408242360 160067751 /nfs/dbraw/zinc/06/77/51/160067751.db2.gz STEJNBDGSKMJNJ-FXAINCCUSA-N 0 0 306.366 0.792 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cnn1C ZINC000408241247 160067781 /nfs/dbraw/zinc/06/77/81/160067781.db2.gz IMNNGWFYWLLQHH-RYUDHWBXSA-N 0 0 314.411 0.319 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cnn(C)c3C)CCO2)n1 ZINC000408244760 160068639 /nfs/dbraw/zinc/06/86/39/160068639.db2.gz DLXDGMLNTKXZLP-ZDUSSCGKSA-N 0 0 318.381 0.478 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408249310 160069003 /nfs/dbraw/zinc/06/90/03/160069003.db2.gz ZPMCUGHFZHLVDH-MRXNPFEDSA-N 0 0 309.410 0.668 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCC[C@]4(CNC(=O)C4)C3)ccc21 ZINC000408248483 160069202 /nfs/dbraw/zinc/06/92/02/160069202.db2.gz VRCPPAVQIPTAOX-INIZCTEOSA-N 0 0 313.361 0.711 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248204 160069362 /nfs/dbraw/zinc/06/93/62/160069362.db2.gz TWHRCTZYNWQWSM-INIZCTEOSA-N 0 0 301.346 0.754 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408250202 160069906 /nfs/dbraw/zinc/06/99/06/160069906.db2.gz JJFSWCFDRNTCLP-MRXNPFEDSA-N 0 0 316.361 0.920 10 0 DCAERN NC(=O)c1ccc(N2CCC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC000408257814 160070707 /nfs/dbraw/zinc/07/07/07/160070707.db2.gz SIXHZWDURFRBBL-NSHDSACASA-N 0 0 303.366 0.414 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408260068 160071312 /nfs/dbraw/zinc/07/13/12/160071312.db2.gz CQCPOHVXOWBCPJ-TUAOUCFPSA-N 0 0 318.377 0.731 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc1 ZINC000408268676 160072771 /nfs/dbraw/zinc/07/27/71/160072771.db2.gz CHJPMEIRUHWNBJ-OAHLLOKOSA-N 0 0 305.334 0.809 10 0 DCAERN C[C@@H](O)C[C@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408266627 160072865 /nfs/dbraw/zinc/07/28/65/160072865.db2.gz QYKQRASTXIJSHU-GHMZBOCLSA-N 0 0 311.382 0.469 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)cn1 ZINC000408281181 160076270 /nfs/dbraw/zinc/07/62/70/160076270.db2.gz SUALWRFOFSIRNY-INIZCTEOSA-N 0 0 321.377 0.839 10 0 DCAERN NC(=O)c1ncc(Br)cc1N1CCS(=O)CC1 ZINC000408288988 160076668 /nfs/dbraw/zinc/07/66/68/160076668.db2.gz ATZPNKZSVFJJKQ-UHFFFAOYSA-N 0 0 318.196 0.512 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000408293164 160078316 /nfs/dbraw/zinc/07/83/16/160078316.db2.gz WZANFKDOVIYDQC-AWEZNQCLSA-N 0 0 320.393 0.728 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408293946 160078348 /nfs/dbraw/zinc/07/83/48/160078348.db2.gz JIAVWNQUUGOFQX-ZJUUUORDSA-N 0 0 303.318 0.084 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000408302076 160079962 /nfs/dbraw/zinc/07/99/62/160079962.db2.gz XGBXKCDZMXKOAR-SNVBAGLBSA-N 0 0 300.384 0.144 10 0 DCAERN CCN1CCN(CC(=O)N2CCCCC(C)(C)C2)C(=O)C1=O ZINC000408301311 160080032 /nfs/dbraw/zinc/08/00/32/160080032.db2.gz RFYQJCVJTBRNOE-UHFFFAOYSA-N 0 0 309.410 0.716 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1 ZINC000408303933 160080593 /nfs/dbraw/zinc/08/05/93/160080593.db2.gz USJDNUDEYFVWMA-ZDUSSCGKSA-N 0 0 305.382 0.850 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000408303340 160080785 /nfs/dbraw/zinc/08/07/85/160080785.db2.gz OCYPBMPWQCLYGJ-UHFFFAOYSA-N 0 0 323.418 0.862 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000408303288 160080857 /nfs/dbraw/zinc/08/08/57/160080857.db2.gz NPZCFVLHUAJPCZ-NWANDNLSSA-N 0 0 303.362 0.565 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c1=O ZINC000408305552 160081744 /nfs/dbraw/zinc/08/17/44/160081744.db2.gz KVSRMIDWQDFKCA-LBPRGKRZSA-N 0 0 304.268 0.915 10 0 DCAERN O=C(NC[C@@H](O)C(F)F)C1CCN(C(=O)N2CCCC2)CC1 ZINC000408308725 160082278 /nfs/dbraw/zinc/08/22/78/160082278.db2.gz JRWHWKAIWQTGBI-LLVKDONJSA-N 0 0 319.352 0.656 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000408317242 160083800 /nfs/dbraw/zinc/08/38/00/160083800.db2.gz GEEMMTGCRAVIPX-LSSIXWDNSA-N 0 0 312.410 0.713 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000408317702 160083921 /nfs/dbraw/zinc/08/39/21/160083921.db2.gz HNJVDRSGPDAJTP-ONGXEEELSA-N 0 0 311.363 0.193 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000408321123 160084636 /nfs/dbraw/zinc/08/46/36/160084636.db2.gz RAXHAPBWZKOSEM-UHFFFAOYSA-N 0 0 317.436 0.528 10 0 DCAERN CCn1nc(C)c(C(=O)N2CCc3c(ncn(C)c3=O)C2)c1C ZINC000408324301 160085487 /nfs/dbraw/zinc/08/54/87/160085487.db2.gz KOQOBCIOXOZFEU-UHFFFAOYSA-N 0 0 315.377 0.812 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000408328604 160086114 /nfs/dbraw/zinc/08/61/14/160086114.db2.gz BJHYINDWNODUHN-WRWGMCAJSA-N 0 0 305.396 0.218 10 0 DCAERN CSc1c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000408330756 160086243 /nfs/dbraw/zinc/08/62/43/160086243.db2.gz TWDKPGWFSCTABD-WCQYABFASA-N 0 0 324.450 0.935 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408331437 160086864 /nfs/dbraw/zinc/08/68/64/160086864.db2.gz XBTWROMKBGGSPB-AAEUAGOBSA-N 0 0 318.439 0.684 10 0 DCAERN CCn1cncc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408338816 160088067 /nfs/dbraw/zinc/08/80/67/160088067.db2.gz AJQJJSPKSAXXCV-ZJUUUORDSA-N 0 0 300.384 0.178 10 0 DCAERN Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(=O)[nH]c1=O ZINC000408349180 160089863 /nfs/dbraw/zinc/08/98/63/160089863.db2.gz GZAPEPLDJYCFHF-ZUZCIYMTSA-N 0 0 307.350 0.253 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000408358172 160091558 /nfs/dbraw/zinc/09/15/58/160091558.db2.gz ZXMPKQYFAODHOZ-IINYFYTJSA-N 0 0 311.407 0.035 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCCNC1=O ZINC000408371093 160094005 /nfs/dbraw/zinc/09/40/05/160094005.db2.gz UYULVPBDQCIIGZ-RYUDHWBXSA-N 0 0 308.300 0.819 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408375551 160095193 /nfs/dbraw/zinc/09/51/93/160095193.db2.gz SWILPWPKDWFRLW-CHWSQXEVSA-N 0 0 312.410 0.633 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCO[C@@H](CO)C1 ZINC000408382902 160096587 /nfs/dbraw/zinc/09/65/87/160096587.db2.gz UHRRSWJAQLBKLH-MGPQQGTHSA-N 0 0 308.382 0.770 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCO[C@@H](CO)C1 ZINC000408382900 160096779 /nfs/dbraw/zinc/09/67/79/160096779.db2.gz UHRRSWJAQLBKLH-MCIONIFRSA-N 0 0 308.382 0.770 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408388452 160097391 /nfs/dbraw/zinc/09/73/91/160097391.db2.gz CIYXZJAKHVBXQA-SECBINFHSA-N 0 0 302.318 0.572 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C ZINC000408389470 160098286 /nfs/dbraw/zinc/09/82/86/160098286.db2.gz KQKMIKYERNSRNJ-GHMZBOCLSA-N 0 0 307.350 0.937 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389210 160098429 /nfs/dbraw/zinc/09/84/29/160098429.db2.gz ZJIKDGXWTSHXMA-SFYZADRCSA-N 0 0 320.802 0.348 10 0 DCAERN O=C(NCCC[C@H]1CCCC[C@H]1O)N1CCS(=O)(=O)CC1 ZINC000408395082 160099716 /nfs/dbraw/zinc/09/97/16/160099716.db2.gz LUYOULNRCVKAPQ-CHWSQXEVSA-N 0 0 318.439 0.758 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000408398788 160100573 /nfs/dbraw/zinc/10/05/73/160100573.db2.gz XVCQWTVOJJJTEB-JTQLQIEISA-N 0 0 313.379 0.249 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CCN1C[C@H](C)O ZINC000408428414 160105968 /nfs/dbraw/zinc/10/59/68/160105968.db2.gz DLFDCVSQBPUMRC-UONOGXRCSA-N 0 0 319.471 0.494 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408426813 160106302 /nfs/dbraw/zinc/10/63/02/160106302.db2.gz XAHGUSVGFSAJGY-SRVKXCTJSA-N 0 0 319.427 0.277 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000408437201 160107782 /nfs/dbraw/zinc/10/77/82/160107782.db2.gz QPDUDRPLFVQFEK-MRVPVSSYSA-N 0 0 318.786 0.216 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC(C(C)(C)O)C3)cnc12 ZINC000408444692 160109256 /nfs/dbraw/zinc/10/92/56/160109256.db2.gz VPQPOWMRZXTKFJ-UHFFFAOYSA-N 0 0 301.346 0.846 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)CCS1(=O)=O ZINC000408448561 160109799 /nfs/dbraw/zinc/10/97/99/160109799.db2.gz XEZRFJXHOAWSLJ-JTQLQIEISA-N 0 0 323.374 0.939 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408454610 160112203 /nfs/dbraw/zinc/11/22/03/160112203.db2.gz VMYIZABSRUHPJL-OAHLLOKOSA-N 0 0 319.317 0.215 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408460816 160113520 /nfs/dbraw/zinc/11/35/20/160113520.db2.gz RLPAOEAOBYYBCW-IHRRRGAJSA-N 0 0 320.455 0.394 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000408466107 160114812 /nfs/dbraw/zinc/11/48/12/160114812.db2.gz IJIFLYUJPGHFFH-MJBXVCDLSA-N 0 0 312.410 0.632 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000074376132 286916089 /nfs/dbraw/zinc/91/60/89/286916089.db2.gz MELLNZYXEOBQOV-NWDGAFQWSA-N 0 0 310.398 0.260 10 0 DCAERN NS(=O)(=O)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000078682921 286922562 /nfs/dbraw/zinc/92/25/62/286922562.db2.gz GLHZACJKBFTOPW-UHFFFAOYSA-N 0 0 306.391 0.556 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)NCCCc2ccccc2)C1 ZINC000121331621 286954847 /nfs/dbraw/zinc/95/48/47/286954847.db2.gz VWHLPWQBWAHNOE-UHFFFAOYSA-N 0 0 317.389 0.330 10 0 DCAERN C[C@@]1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000123201921 286959783 /nfs/dbraw/zinc/95/97/83/286959783.db2.gz UQENCHNDQAALEZ-INIZCTEOSA-N 0 0 317.345 0.375 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000125884764 286968548 /nfs/dbraw/zinc/96/85/48/286968548.db2.gz RAROCGPYIUQILB-VIFPVBQESA-N 0 0 303.322 0.893 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C(N)=O)cn1 ZINC000132553078 287006019 /nfs/dbraw/zinc/00/60/19/287006019.db2.gz LOONWDWBHZVSMR-UHFFFAOYSA-N 0 0 301.350 0.503 10 0 DCAERN COc1ccncc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000131436944 287000364 /nfs/dbraw/zinc/00/03/64/287000364.db2.gz XXIZGAXSKQYPTH-UHFFFAOYSA-N 0 0 314.305 0.172 10 0 DCAERN CN(C)C(=O)CC1CCN(c2cncc(OCCO)n2)CC1 ZINC000133899783 287013499 /nfs/dbraw/zinc/01/34/99/287013499.db2.gz SJQZZYYDYQRLFC-UHFFFAOYSA-N 0 0 308.382 0.542 10 0 DCAERN Cn1nccc1CNC(=O)NCCC(=O)NCc1ccccc1 ZINC000133904007 287013577 /nfs/dbraw/zinc/01/35/77/287013577.db2.gz LGNLOWRINCNSGU-UHFFFAOYSA-N 0 0 315.377 0.926 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000151863865 287036585 /nfs/dbraw/zinc/03/65/85/287036585.db2.gz YGQWQGHLYKWQKM-QWRGUYRKSA-N 0 0 316.361 0.718 10 0 DCAERN C[C@@]1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCCO1 ZINC000153017336 287046069 /nfs/dbraw/zinc/04/60/69/287046069.db2.gz CUNASBJYZFHHQC-BBRMVZONSA-N 0 0 305.378 0.951 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187136946 287058483 /nfs/dbraw/zinc/05/84/83/287058483.db2.gz JJUFOIZCTZRZLT-WDEREUQCSA-N 0 0 320.397 0.548 10 0 DCAERN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCNC(=O)CC1 ZINC000192568488 287059124 /nfs/dbraw/zinc/05/91/24/287059124.db2.gz KZWGAIBTYNAXIP-LLVKDONJSA-N 0 0 304.350 0.545 10 0 DCAERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000195392501 287063057 /nfs/dbraw/zinc/06/30/57/287063057.db2.gz SLXZBHVNEHHKQE-OCCSQVGLSA-N 0 0 318.373 0.960 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000245492847 287069904 /nfs/dbraw/zinc/06/99/04/287069904.db2.gz KHLUKTJIEWFLRY-GRYCIOLGSA-N 0 0 308.444 0.991 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000245565295 287070872 /nfs/dbraw/zinc/07/08/72/287070872.db2.gz WORHUOUOOINIKI-YNEHKIRRSA-N 0 0 322.471 0.973 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)[C@@H](C)CO1 ZINC000245732270 287072471 /nfs/dbraw/zinc/07/24/71/287072471.db2.gz WELCEQIWQMMYOG-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000245948371 287074659 /nfs/dbraw/zinc/07/46/59/287074659.db2.gz VABJPWIQDXCRPC-AXFHLTTASA-N 0 0 321.343 0.948 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000246040182 287075369 /nfs/dbraw/zinc/07/53/69/287075369.db2.gz OUNADVQYUZPJOP-BZPMIXESSA-N 0 0 309.410 0.365 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000246278272 287080485 /nfs/dbraw/zinc/08/04/85/287080485.db2.gz HOQYBCPWRNADNJ-RNSXUZJQSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(C)(C)C)C[C@@H](C)O1 ZINC000246329338 287081562 /nfs/dbraw/zinc/08/15/62/287081562.db2.gz ZTPRPQFUWHRFQZ-IJLUTSLNSA-N 0 0 308.444 0.727 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000246727446 287087167 /nfs/dbraw/zinc/08/71/67/287087167.db2.gz VSMOSJDOUVMNOS-PEXQALLHSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCn2cccn2)[C@@H](C)CO1 ZINC000246692329 287086740 /nfs/dbraw/zinc/08/67/40/287086740.db2.gz YWEXDTZGXMGMQH-RYUDHWBXSA-N 0 0 302.400 0.169 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247021541 287090162 /nfs/dbraw/zinc/09/01/62/287090162.db2.gz JQHIZBHUIBXECY-RFQIPJPRSA-N 0 0 316.467 0.998 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000332855558 287092044 /nfs/dbraw/zinc/09/20/44/287092044.db2.gz YHYGANPZFBLSPH-SNPRPXQTSA-N 0 0 311.426 0.652 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000248655720 287099054 /nfs/dbraw/zinc/09/90/54/287099054.db2.gz WAYDYECSSALJIV-CYBMUJFWSA-N 0 0 303.428 0.564 10 0 DCAERN CCN(CCCNC(=O)[C@H]1CCOC[C@H]1C)S(C)(=O)=O ZINC000248860035 287102217 /nfs/dbraw/zinc/10/22/17/287102217.db2.gz LUXPZUVJIYIHEG-NEPJUHHUSA-N 0 0 306.428 0.447 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000248865462 287102350 /nfs/dbraw/zinc/10/23/50/287102350.db2.gz NFHPRKWILLOZST-WOPDTQHZSA-N 0 0 304.412 0.151 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@H]1CO ZINC000248988120 287104587 /nfs/dbraw/zinc/10/45/87/287104587.db2.gz WRWXXULGMLUAGN-CBAPKCEASA-N 0 0 305.787 0.709 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)[C@H](C)COC)CC[S@]1=O ZINC000249063594 287106086 /nfs/dbraw/zinc/10/60/86/287106086.db2.gz YZMWHKWIRODPLR-ADLMAVQZSA-N 0 0 311.469 0.974 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1)[C@H](C)CO ZINC000249578953 287114770 /nfs/dbraw/zinc/11/47/70/287114770.db2.gz QHYDDUCKUVUAEI-GMTAPVOTSA-N 0 0 308.382 0.926 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@@H]1C(=O)NCC[C@@H]1C)c1ccccc1 ZINC000249589311 287115303 /nfs/dbraw/zinc/11/53/03/287115303.db2.gz OVNMBZDTJHMOKA-PEYYIBSZSA-N 0 0 317.389 0.895 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751108 287117761 /nfs/dbraw/zinc/11/77/61/287117761.db2.gz CXNPFLKAAMKQKH-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](C)[C@@H](OC)C2)C1 ZINC000251843282 287120074 /nfs/dbraw/zinc/12/00/74/287120074.db2.gz MXENBXLMJGUGGD-AVGNSLFASA-N 0 0 312.414 0.857 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCC[C@H]2CO)n2ncnc2n1 ZINC000252009461 287120374 /nfs/dbraw/zinc/12/03/74/287120374.db2.gz XLPQUDITDXOYSY-RYUDHWBXSA-N 0 0 318.381 0.047 10 0 DCAERN CC[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@]2(CCOC2)O1 ZINC000408329362 287178501 /nfs/dbraw/zinc/17/85/01/287178501.db2.gz YODBNAVWGYJLNC-ABAIWWIYSA-N 0 0 308.334 0.789 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCc2sccc2C1 ZINC000189281128 287179709 /nfs/dbraw/zinc/17/97/09/287179709.db2.gz VZDYJUNPQKIITH-LLVKDONJSA-N 0 0 307.419 0.843 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](CC)OC ZINC000358125362 287206110 /nfs/dbraw/zinc/20/61/10/287206110.db2.gz ORFPXPMNQBYUES-VWYCJHECSA-N 0 0 317.386 0.167 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363885403 287220399 /nfs/dbraw/zinc/22/03/99/287220399.db2.gz WGXKDITVZBJNCV-CYBMUJFWSA-N 0 0 305.378 0.843 10 0 DCAERN O=S1(=O)C[C@H](Nc2nccn3nnnc23)c2ccccc21 ZINC000545346951 412428326 /nfs/dbraw/zinc/42/83/26/412428326.db2.gz OPCUSCIVFHLGMH-VIFPVBQESA-N 0 0 302.319 0.460 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccnn1 ZINC000488949069 412428975 /nfs/dbraw/zinc/42/89/75/412428975.db2.gz QOCAIWLIRRZNFD-BDAKNGLRSA-N 0 0 309.326 0.054 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)CC(=O)N1 ZINC000408343785 287269885 /nfs/dbraw/zinc/26/98/85/287269885.db2.gz SDVRMPOUMHHBQU-DPQKJVLMSA-N 0 0 300.424 0.659 10 0 DCAERN COCCOCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000111663563 292570457 /nfs/dbraw/zinc/57/04/57/292570457.db2.gz MIWZSVZXAUBIMM-CQSZACIVSA-N 0 0 300.399 0.363 10 0 DCAERN C[C@H](NC(=O)[C@@H](N)CC(N)=O)c1cccc(Br)c1 ZINC000037626928 415194655 /nfs/dbraw/zinc/19/46/55/415194655.db2.gz SRFNCZCGDYFUIM-XVKPBYJWSA-N 0 0 314.183 0.829 10 0 DCAERN CNC(=O)c1ccc(N2CCO[C@](C)(c3cnn(C)c3)C2)nn1 ZINC000268420747 415209123 /nfs/dbraw/zinc/20/91/23/415209123.db2.gz XDNGMPPYAYTULB-HNNXBMFYSA-N 0 0 316.365 0.322 10 0 DCAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](N)CC(N)=O ZINC000040851446 415197732 /nfs/dbraw/zinc/19/77/32/415197732.db2.gz SSXQJSAPEOMVCW-SNVBAGLBSA-N 0 0 303.284 0.867 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)NC[C@@H]3CCCO3)CCO2)cn1 ZINC000268435403 415212563 /nfs/dbraw/zinc/21/25/63/415212563.db2.gz JXGOSSONABEVQC-ZFWWWQNUSA-N 0 0 308.382 0.856 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)N(C)C1 ZINC000332097194 415243787 /nfs/dbraw/zinc/24/37/87/415243787.db2.gz CDQPUSLXTKGIHO-KBPBESRZSA-N 0 0 320.393 0.576 10 0 DCAERN NC(=O)c1cccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 ZINC000047438509 415271096 /nfs/dbraw/zinc/27/10/96/415271096.db2.gz OGGRAYNDSVNDCB-CQSZACIVSA-N 0 0 305.359 0.713 10 0 DCAERN O=C(NCc1cscn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000051750165 415320198 /nfs/dbraw/zinc/32/01/98/415320198.db2.gz WZTSMLJQTHWVNS-GFCCVEGCSA-N 0 0 324.406 0.676 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000276033332 415416559 /nfs/dbraw/zinc/41/65/59/415416559.db2.gz DWCJTYUSYWYBMT-UMNHJUIQSA-N 0 0 313.379 0.382 10 0 DCAERN CCOC(=O)C(C)(C)NS(=O)(=O)c1ncn(C)c1Cl ZINC000066937885 415369444 /nfs/dbraw/zinc/36/94/44/415369444.db2.gz HFZAJNCMGDAVMQ-UHFFFAOYSA-N 0 0 309.775 0.694 10 0 DCAERN C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C)n1cncn1 ZINC000067200652 415374075 /nfs/dbraw/zinc/37/40/75/415374075.db2.gz BLCMCAJKHXGITE-GXTWGEPZSA-N 0 0 315.377 0.655 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332846668 415494128 /nfs/dbraw/zinc/49/41/28/415494128.db2.gz OVXMXZCUYXYJEI-ZOBORPQBSA-N 0 0 323.397 0.553 10 0 DCAERN COCCN1C[C@@H](C(=O)NC[C@@](C)(O)CCC(C)C)CC1=O ZINC000075130024 415438808 /nfs/dbraw/zinc/43/88/08/415438808.db2.gz PWHNYAFZTUWOQY-BBRMVZONSA-N 0 0 314.426 0.785 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCS(=O)CC2)C1 ZINC000076992675 415455141 /nfs/dbraw/zinc/45/51/41/415455141.db2.gz ZKMMEBLVUUJSBY-NSHDSACASA-N 0 0 316.423 0.834 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCS(=O)CC2)C1 ZINC000076992678 415456047 /nfs/dbraw/zinc/45/60/47/415456047.db2.gz ZKMMEBLVUUJSBY-LLVKDONJSA-N 0 0 316.423 0.834 10 0 DCAERN CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(=O)[n-][nH]2)nn1 ZINC000276326147 415471381 /nfs/dbraw/zinc/47/13/81/415471381.db2.gz PWVABBYXIZGQRF-VHSXEESVSA-N 0 0 321.385 0.190 10 0 DCAERN COc1ccc(OCCNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000087019741 415508585 /nfs/dbraw/zinc/50/85/85/415508585.db2.gz RGFHSMJLAXTBRE-UHFFFAOYSA-N 0 0 317.345 0.941 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@@H]1CCc2ncnn2C1 ZINC000332931922 415509433 /nfs/dbraw/zinc/50/94/33/415509433.db2.gz YDVOMMIVJRMXQB-VXGBXAGGSA-N 0 0 315.381 0.351 10 0 DCAERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000332952034 415512572 /nfs/dbraw/zinc/51/25/72/415512572.db2.gz YTGNVUAKSRZZGQ-UVOCVTCTSA-N 0 0 308.300 0.976 10 0 DCAERN Cn1c2ccc(S(=O)(=O)NCC3CC(O)C3)cc2oc1=O ZINC000091525808 415534717 /nfs/dbraw/zinc/53/47/17/415534717.db2.gz NEBKYJBWJQSIQQ-UHFFFAOYSA-N 0 0 312.347 0.181 10 0 DCAERN O=C([O-])[C@H]1C[NH2+]CCN1Cc1ccc(Br)nc1 ZINC000095073784 415548698 /nfs/dbraw/zinc/54/86/98/415548698.db2.gz PTRFJRTXYSHYBE-SECBINFHSA-N 0 0 300.156 0.703 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCCO)cc1 ZINC000094946994 415549108 /nfs/dbraw/zinc/54/91/08/415549108.db2.gz HAGJPLGQJUOVCH-SNVBAGLBSA-N 0 0 300.380 0.486 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1=O ZINC000333136291 415566956 /nfs/dbraw/zinc/56/69/56/415566956.db2.gz IOWKGMOCYOXPDZ-AGIUHOORSA-N 0 0 316.423 0.295 10 0 DCAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319979 415610970 /nfs/dbraw/zinc/61/09/70/415610970.db2.gz WTOWXURXBXTLKD-JHJVBQTASA-N 0 0 322.409 0.818 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000103218625 415612710 /nfs/dbraw/zinc/61/27/10/415612710.db2.gz QBGAFEJMUJARPX-CQSZACIVSA-N 0 0 319.405 0.498 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000285405349 415616262 /nfs/dbraw/zinc/61/62/62/415616262.db2.gz MJZDCYNHNQNBRQ-KGLIPLIRSA-N 0 0 308.382 0.906 10 0 DCAERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCNC1=O ZINC000333359977 415621442 /nfs/dbraw/zinc/62/14/42/415621442.db2.gz XFTCZAHZXBQHFP-MGPQQGTHSA-N 0 0 309.410 0.367 10 0 DCAERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCNC1=O ZINC000333359974 415622619 /nfs/dbraw/zinc/62/26/19/415622619.db2.gz XFTCZAHZXBQHFP-BFHYXJOUSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@H](NC(=O)N1CCN(C2CC2)CC1)[C@H](C)N1CCOCC1 ZINC000105298315 415631819 /nfs/dbraw/zinc/63/18/19/415631819.db2.gz RMDDWIUGKCLXMO-KBPBESRZSA-N 0 0 310.442 0.585 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCC[C@H](n2cncn2)C1 ZINC000105884460 415637034 /nfs/dbraw/zinc/63/70/34/415637034.db2.gz HUVCJWAZWSJMHT-NSHDSACASA-N 0 0 319.390 0.933 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCO[C@H](CF)C2)cn1 ZINC000333435537 415649492 /nfs/dbraw/zinc/64/94/92/415649492.db2.gz VHIUUKBJELFPLT-UPJWGTAASA-N 0 0 312.345 0.630 10 0 DCAERN CO[C@H](C(=O)N1CCC[C@@H]1Cn1ccnc1)c1cnn(C)c1 ZINC000282868304 415584060 /nfs/dbraw/zinc/58/40/60/415584060.db2.gz UVIBYUIXCRQFQR-KGLIPLIRSA-N 0 0 303.366 0.995 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000333273383 415598747 /nfs/dbraw/zinc/59/87/47/415598747.db2.gz NZTVBALKXNXGIT-VXGBXAGGSA-N 0 0 308.386 0.051 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000333449747 415654056 /nfs/dbraw/zinc/65/40/56/415654056.db2.gz NJXJBKPDMXQWOU-XQQFMLRXSA-N 0 0 324.402 0.630 10 0 DCAERN C[C@]1(F)CNCCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000333503453 415669410 /nfs/dbraw/zinc/66/94/10/415669410.db2.gz DNXKGPRFUFBOCS-YPMHNXCESA-N 0 0 321.418 0.297 10 0 DCAERN c1cc(NCCCOC[C@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000354050629 415731901 /nfs/dbraw/zinc/73/19/01/415731901.db2.gz YJDSXDINTQNNJW-CQSZACIVSA-N 0 0 322.409 1.311 10 0 DCAERN Cc1noc(CCNc2cc(N3CCC[C@@H]3CO)ncn2)n1 ZINC000112077864 415704245 /nfs/dbraw/zinc/70/42/45/415704245.db2.gz VRBXKKXOFXZLEA-LLVKDONJSA-N 0 0 304.354 0.784 10 0 DCAERN C[C@@]1(F)CNCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333664677 415708869 /nfs/dbraw/zinc/70/88/69/415708869.db2.gz XLNZZLYUJUIPJZ-CQSZACIVSA-N 0 0 302.394 0.052 10 0 DCAERN COc1cccc(OCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112659345 415710786 /nfs/dbraw/zinc/71/07/86/415710786.db2.gz XEYNIWMTTXCPAI-NSHDSACASA-N 0 0 302.334 0.797 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N[C@@H]3CCc4ncnn4C3)nc2n1 ZINC000112655803 415710933 /nfs/dbraw/zinc/71/09/33/415710933.db2.gz JBXWFKYRVBJYFM-SNVBAGLBSA-N 0 0 312.337 0.077 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000112655343 415711362 /nfs/dbraw/zinc/71/13/62/415711362.db2.gz LPQRUQJYHIVBDY-OLZOCXBDSA-N 0 0 317.393 0.358 10 0 DCAERN COC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC(C)(C)O1 ZINC000343757389 415711465 /nfs/dbraw/zinc/71/14/65/415711465.db2.gz OSQMGMZKMVXXAG-LLVKDONJSA-N 0 0 309.366 0.390 10 0 DCAERN Cc1cc(C)n(Cc2ccc(C(=O)NC(CO)CO)cc2)n1 ZINC000119546779 415746831 /nfs/dbraw/zinc/74/68/31/415746831.db2.gz VAXHTIQRTALAMM-UHFFFAOYSA-N 0 0 303.362 0.631 10 0 DCAERN CCCN1C[C@@H](CNC(=O)N2CCN(C3CC3)CC2)CC1=O ZINC000333764687 415734706 /nfs/dbraw/zinc/73/47/06/415734706.db2.gz PYAMPCZZRBKRGR-CYBMUJFWSA-N 0 0 308.426 0.735 10 0 DCAERN CNC(=O)C(C)(C)CNS(=O)(=O)Cc1cccc(OC)c1 ZINC000119889220 415750937 /nfs/dbraw/zinc/75/09/37/415750937.db2.gz LYTKUGMVEYOTBO-UHFFFAOYSA-N 0 0 314.407 0.887 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1CC(C)C ZINC000120002926 415757233 /nfs/dbraw/zinc/75/72/33/415757233.db2.gz RVWKNKUSBRCCEB-MFKMUULPSA-N 0 0 308.382 0.562 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000120146860 415757348 /nfs/dbraw/zinc/75/73/48/415757348.db2.gz DEXYIDBKRLRQNP-CYBMUJFWSA-N 0 0 303.366 0.842 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@@H]2CCCC[C@H]2F)nn1 ZINC000333998093 415777726 /nfs/dbraw/zinc/77/77/26/415777726.db2.gz PKXUNUDOYWFIAU-FPQZTECRSA-N 0 0 312.345 0.875 10 0 DCAERN COCCN(C)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000123027290 415838203 /nfs/dbraw/zinc/83/82/03/415838203.db2.gz XAWAOYHKMNAWEB-UHFFFAOYSA-N 0 0 320.436 0.460 10 0 DCAERN C[C@H]1CCC[C@@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334087391 415804870 /nfs/dbraw/zinc/80/48/70/415804870.db2.gz MOFXLWIISLEMNR-CIQGVGRVSA-N 0 0 309.370 0.068 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000122074581 415823841 /nfs/dbraw/zinc/82/38/41/415823841.db2.gz LFGCRHOJLQXAQW-LLVKDONJSA-N 0 0 306.366 0.299 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC000122137171 415827563 /nfs/dbraw/zinc/82/75/63/415827563.db2.gz XEACBHQPELQCAK-GWCFXTLKSA-N 0 0 302.330 0.851 10 0 DCAERN COc1c(CN2CCO[C@H](Cn3cccn3)C2)c(C)nn1C ZINC000122261851 415828372 /nfs/dbraw/zinc/82/83/72/415828372.db2.gz WHRMCQHYZKAWJC-ZDUSSCGKSA-N 0 0 305.382 0.835 10 0 DCAERN CCC[C@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)OC ZINC000295436374 415891160 /nfs/dbraw/zinc/89/11/60/415891160.db2.gz NVOXECDEOGSUHG-CYBMUJFWSA-N 0 0 320.393 0.563 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000295593157 415900424 /nfs/dbraw/zinc/90/04/24/415900424.db2.gz KVBCPXBYEKQTJE-AVGNSLFASA-N 0 0 316.357 0.956 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCCN1CCCC1=O ZINC000129177663 415906999 /nfs/dbraw/zinc/90/69/99/415906999.db2.gz LPJUDFZVQWISPJ-RYUDHWBXSA-N 0 0 312.414 0.601 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000129307475 415907833 /nfs/dbraw/zinc/90/78/33/415907833.db2.gz YLQLFQKXBRGZAF-DCAQKATOSA-N 0 0 322.427 0.660 10 0 DCAERN CCOC(=O)CN(C[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000130791281 415924748 /nfs/dbraw/zinc/92/47/48/415924748.db2.gz UDAWYCCJCYIKQZ-ZDUSSCGKSA-N 0 0 302.415 0.343 10 0 DCAERN CCNC(=O)CN(CC)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500558 415946071 /nfs/dbraw/zinc/94/60/71/415946071.db2.gz GFLZDEGCPWILAM-LBPRGKRZSA-N 0 0 307.398 0.292 10 0 DCAERN CCCc1ccccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133814241 415951405 /nfs/dbraw/zinc/95/14/05/415951405.db2.gz ZLPRJPZJLLCBPY-UHFFFAOYSA-N 0 0 303.362 0.926 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)c(Cl)c1 ZINC000133811433 415952798 /nfs/dbraw/zinc/95/27/98/415952798.db2.gz MLMIMIFYXWZMED-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)n1 ZINC000134372745 415956717 /nfs/dbraw/zinc/95/67/17/415956717.db2.gz BVIRGQKKYIGWQF-SECBINFHSA-N 0 0 302.338 0.540 10 0 DCAERN CN1C[C@@H](NC(=O)Nc2cccnc2-n2cncn2)CCC1=O ZINC000153261556 415978509 /nfs/dbraw/zinc/97/85/09/415978509.db2.gz BWQZVOJRLRIYDD-JTQLQIEISA-N 0 0 315.337 0.405 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000153665647 415985641 /nfs/dbraw/zinc/98/56/41/415985641.db2.gz VYJXNJKKDTXEHG-NWDGAFQWSA-N 0 0 308.382 0.899 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCOC1 ZINC000344772788 415986237 /nfs/dbraw/zinc/98/62/37/415986237.db2.gz ZKHNJIGDNJYWCL-LBPRGKRZSA-N 0 0 319.361 0.903 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000155117754 415992469 /nfs/dbraw/zinc/99/24/69/415992469.db2.gz XIUIVLNSPNZATK-BXUZGUMPSA-N 0 0 308.378 0.948 10 0 DCAERN Cc1nc(C(=O)Nc2cccnc2-n2cncn2)c(=O)[nH]c1C ZINC000155095546 415993262 /nfs/dbraw/zinc/99/32/62/415993262.db2.gz OXILCPPPCWZGOH-UHFFFAOYSA-N 0 0 311.305 0.615 10 0 DCAERN CCCCOCCNC(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155228933 415994770 /nfs/dbraw/zinc/99/47/70/415994770.db2.gz BBLCTLRLTMNKBO-UHFFFAOYSA-N 0 0 320.455 0.428 10 0 DCAERN C[C@@H]1OCCN(Cc2ccc(-n3ccnc3)cc2)[C@H]1C(N)=O ZINC000344864970 415999059 /nfs/dbraw/zinc/99/90/59/415999059.db2.gz MLZXQTSGDOTDNC-SWLSCSKDSA-N 0 0 300.362 0.947 10 0 DCAERN COCCn1cc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000172332917 416045280 /nfs/dbraw/zinc/04/52/80/416045280.db2.gz QFXFKSDQUSUHHC-MNOVXSKESA-N 0 0 309.370 0.695 10 0 DCAERN CO[C@@H](C)c1cccc(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000173001668 416051447 /nfs/dbraw/zinc/05/14/47/416051447.db2.gz PTMJYFABYXOUFT-VIFPVBQESA-N 0 0 303.322 0.723 10 0 DCAERN C[C@@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000173082818 416053103 /nfs/dbraw/zinc/05/31/03/416053103.db2.gz PYFROZCXJFRLIM-SECBINFHSA-N 0 0 305.309 0.965 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173130197 416054614 /nfs/dbraw/zinc/05/46/14/416054614.db2.gz LKDWCAVWFLTKAH-CMPLNLGQSA-N 0 0 321.352 0.554 10 0 DCAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173354571 416056633 /nfs/dbraw/zinc/05/66/33/416056633.db2.gz DMHZWOQDDHOEMY-GXFFZTMASA-N 0 0 307.398 0.934 10 0 DCAERN O=C(Cc1ccccc1O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000357297586 416058018 /nfs/dbraw/zinc/05/80/18/416058018.db2.gz DMVWRGTWQYGNSX-CQSZACIVSA-N 0 0 318.373 0.831 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCNC(=O)CC(C)C)CCO2)[nH]1 ZINC000173545765 416059589 /nfs/dbraw/zinc/05/95/89/416059589.db2.gz WGLAGWOHJURSIG-LBPRGKRZSA-N 0 0 323.397 0.565 10 0 DCAERN CC(=O)N1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000357307499 416060495 /nfs/dbraw/zinc/06/04/95/416060495.db2.gz RGGYVAKWQNDVIM-JSGCOSHPSA-N 0 0 317.455 0.211 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccon2)CC1 ZINC000173629065 416061965 /nfs/dbraw/zinc/06/19/65/416061965.db2.gz VPLLNYWGJJKBBA-LLVKDONJSA-N 0 0 309.370 0.026 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000173716069 416064685 /nfs/dbraw/zinc/06/46/85/416064685.db2.gz BRWKULGSANNXRC-JTQLQIEISA-N 0 0 307.393 0.791 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173801547 416065470 /nfs/dbraw/zinc/06/54/70/416065470.db2.gz HUFSNSPJLYNSRS-TZMCWYRMSA-N 0 0 321.425 0.906 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCOC3(CCCCC3)C2)C1 ZINC000173845701 416065666 /nfs/dbraw/zinc/06/56/66/416065666.db2.gz WZWWLDBCGNZYAL-CQSZACIVSA-N 0 0 323.437 0.745 10 0 DCAERN Cc1noc(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173965013 416070383 /nfs/dbraw/zinc/07/03/83/416070383.db2.gz ZBDKDRKBVVPNEJ-WCQYABFASA-N 0 0 308.382 0.490 10 0 DCAERN CC(C)c1nnnn1CC(=O)NCc1nnc2n1CCCC2 ZINC000174104132 416072520 /nfs/dbraw/zinc/07/25/20/416072520.db2.gz FPOJOIJILQIVAI-UHFFFAOYSA-N 0 0 304.358 0.041 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000174413969 416077177 /nfs/dbraw/zinc/07/71/77/416077177.db2.gz PCKCTSPQVQOQAR-SECBINFHSA-N 0 0 321.308 0.562 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1OC ZINC000158815916 416002927 /nfs/dbraw/zinc/00/29/27/416002927.db2.gz CYWYECKMZVSMRV-UWVGGRQHSA-N 0 0 303.380 0.999 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000158781894 416004041 /nfs/dbraw/zinc/00/40/41/416004041.db2.gz XTJJUHUIEHOZKW-WDEREUQCSA-N 0 0 315.391 0.910 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000159036181 416004727 /nfs/dbraw/zinc/00/47/27/416004727.db2.gz ROFNGVUIFWRUQW-LBPRGKRZSA-N 0 0 320.455 0.115 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000161597769 416013593 /nfs/dbraw/zinc/01/35/93/416013593.db2.gz CZWZVYSGQBPTTG-QWRGUYRKSA-N 0 0 320.397 0.246 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)no1 ZINC000163868897 416017617 /nfs/dbraw/zinc/01/76/17/416017617.db2.gz CZKZQCTWSRSMQQ-NWDGAFQWSA-N 0 0 321.381 0.573 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000166820094 416023227 /nfs/dbraw/zinc/02/32/27/416023227.db2.gz RIKJHQKPAPMIPQ-ZDUSSCGKSA-N 0 0 303.362 0.925 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000166729220 416023364 /nfs/dbraw/zinc/02/33/64/416023364.db2.gz NOAHBDXGSPNUGK-CYBMUJFWSA-N 0 0 314.345 0.843 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000170756045 416029957 /nfs/dbraw/zinc/02/99/57/416029957.db2.gz SQXXFHQNEKPQHN-RYUDHWBXSA-N 0 0 301.306 0.718 10 0 DCAERN Cc1noc(CCNC(=O)NCCNC(=O)c2cccs2)n1 ZINC000171189472 416039195 /nfs/dbraw/zinc/03/91/95/416039195.db2.gz CYUZTPNEWWIXNQ-UHFFFAOYSA-N 0 0 323.378 0.711 10 0 DCAERN O=C(c1cnc(N2CC[C@H](O)C2)c(Cl)c1)N1CCOCC1 ZINC000301337523 416082418 /nfs/dbraw/zinc/08/24/18/416082418.db2.gz CSFNFOKOYJCXLR-NSHDSACASA-N 0 0 311.769 0.778 10 0 DCAERN CC(C)NC(=O)CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000174704366 416082959 /nfs/dbraw/zinc/08/29/59/416082959.db2.gz DAFFRDBILLZXQS-UHFFFAOYSA-N 0 0 309.370 0.026 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CCN(Cc2ccon2)CC1 ZINC000301478393 416083246 /nfs/dbraw/zinc/08/32/46/416083246.db2.gz QEOPSEQDGLSZNO-UHFFFAOYSA-N 0 0 322.756 0.539 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC000301523417 416085536 /nfs/dbraw/zinc/08/55/36/416085536.db2.gz FBLCUOQVUXNOQI-VXGBXAGGSA-N 0 0 306.366 0.332 10 0 DCAERN CNC(=O)c1cccnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000301545922 416086209 /nfs/dbraw/zinc/08/62/09/416086209.db2.gz DOIMHHNFYVEICJ-GXTWGEPZSA-N 0 0 304.394 0.598 10 0 DCAERN NS(=O)(=O)c1cccnc1NC[C@@H](CO)Cc1ccccn1 ZINC000301588799 416086307 /nfs/dbraw/zinc/08/63/07/416086307.db2.gz WWUNTUIRJMSFBO-NSHDSACASA-N 0 0 322.390 0.387 10 0 DCAERN CCC1(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCC1 ZINC000174925588 416090657 /nfs/dbraw/zinc/09/06/57/416090657.db2.gz XTSICDDVXHGWTC-UHFFFAOYSA-N 0 0 309.391 0.933 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174907478 416091017 /nfs/dbraw/zinc/09/10/17/416091017.db2.gz LUKAXOUMXHEXCQ-OLZOCXBDSA-N 0 0 315.439 0.465 10 0 DCAERN COCCCC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174976425 416092975 /nfs/dbraw/zinc/09/29/75/416092975.db2.gz QORGZJCBIYILCK-LBPRGKRZSA-N 0 0 308.382 0.767 10 0 DCAERN Cc1nc(CNC(=O)Nc2cc(-n3cnnn3)ccc2C)no1 ZINC000174982367 416093104 /nfs/dbraw/zinc/09/31/04/416093104.db2.gz MDVVBOXGJOXNOV-UHFFFAOYSA-N 0 0 314.309 0.984 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@@H](C)C1 ZINC000357934410 416155538 /nfs/dbraw/zinc/15/55/38/416155538.db2.gz VQYLWRGRDRDLCL-JTQLQIEISA-N 0 0 317.345 0.710 10 0 DCAERN C[C@@H]1CN(c2cncc(C(N)=O)n2)CCN1CC(F)(F)F ZINC000301863475 416095918 /nfs/dbraw/zinc/09/59/18/416095918.db2.gz GNIPLOPSTOLCHC-MRVPVSSYSA-N 0 0 303.288 0.648 10 0 DCAERN CCc1ncnc(N2CCN(C(=O)N3CCOCC3)CC2)c1F ZINC000301913134 416096231 /nfs/dbraw/zinc/09/62/31/416096231.db2.gz HIMFBRXYYRHVKY-UHFFFAOYSA-N 0 0 323.372 0.752 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000175134143 416097769 /nfs/dbraw/zinc/09/77/69/416097769.db2.gz QVKHJLQMLDYMLB-SNVBAGLBSA-N 0 0 319.369 0.907 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CC[C@@H](CO)[C@H](O)C1 ZINC000302828516 416102182 /nfs/dbraw/zinc/10/21/82/416102182.db2.gz IUKLMXACDWGRSH-TVQRCGJNSA-N 0 0 307.325 0.957 10 0 DCAERN CN(C)C(=O)CNC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175376540 416103835 /nfs/dbraw/zinc/10/38/35/416103835.db2.gz MIXGQMAXQAJATL-UHFFFAOYSA-N 0 0 308.288 0.969 10 0 DCAERN CCNS(=O)(=O)c1ccccc1N(C)CCOCCO ZINC000312753671 416106075 /nfs/dbraw/zinc/10/60/75/416106075.db2.gz LDBBOVAZHPFBGR-UHFFFAOYSA-N 0 0 302.396 0.430 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000312725118 416106182 /nfs/dbraw/zinc/10/61/82/416106182.db2.gz GXEVWAXFWDRXPN-CBAPKCEASA-N 0 0 302.352 0.390 10 0 DCAERN O=S(=O)(c1cc(F)ccc1F)N1CCC[C@](O)(CO)C1 ZINC000313669280 416108811 /nfs/dbraw/zinc/10/88/11/416108811.db2.gz UMJWCWXLHRAXFZ-GFCCVEGCSA-N 0 0 307.318 0.473 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175553492 416109064 /nfs/dbraw/zinc/10/90/64/416109064.db2.gz YKIXRXABXKEJIW-UONOGXRCSA-N 0 0 315.458 0.930 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@](O)(CO)C1 ZINC000313791296 416110447 /nfs/dbraw/zinc/11/04/47/416110447.db2.gz JTUMRGDFDJWNCQ-LBPRGKRZSA-N 0 0 323.773 0.987 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCNC(=O)C1CC1 ZINC000175581173 416111012 /nfs/dbraw/zinc/11/10/12/416111012.db2.gz VBUVBWWTFMHUQH-AWEZNQCLSA-N 0 0 319.409 0.892 10 0 DCAERN O=C1NC[C@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCN12 ZINC000175855629 416114518 /nfs/dbraw/zinc/11/45/18/416114518.db2.gz LNCBJJAOQUDWAC-PPGNKHEKSA-N 0 0 307.375 0.697 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1cnc(C)s1 ZINC000176048705 416117807 /nfs/dbraw/zinc/11/78/07/416117807.db2.gz NFYRUHAVQXQJNM-UHFFFAOYSA-N 0 0 305.425 0.691 10 0 DCAERN CC(C)c1nc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c[nH]1 ZINC000328610477 416123027 /nfs/dbraw/zinc/12/30/27/416123027.db2.gz HYTBKBGYKMCFPQ-SECBINFHSA-N 0 0 310.383 0.938 10 0 DCAERN CN(CCn1cccn1)c1nccc(N[C@@H]2CCCOC2)n1 ZINC000328629077 416124993 /nfs/dbraw/zinc/12/49/93/416124993.db2.gz HXFAACPMJBSSDH-CYBMUJFWSA-N 0 0 302.382 1.400 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000328700177 416127432 /nfs/dbraw/zinc/12/74/32/416127432.db2.gz VZSQPDVNMIKUTK-WMZOPIPTSA-N 0 0 318.417 0.870 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCOC(C)C)C1 ZINC000357754412 416128073 /nfs/dbraw/zinc/12/80/73/416128073.db2.gz MDPLPBRKJFJBKO-QWHCGFSZSA-N 0 0 300.399 0.992 10 0 DCAERN CCOCCN1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000176603631 416129691 /nfs/dbraw/zinc/12/96/91/416129691.db2.gz KTFQECVJGRRYAR-ZDUSSCGKSA-N 0 0 322.413 0.477 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOCC(F)(F)F)[C@H](C)C1 ZINC000357824269 416137676 /nfs/dbraw/zinc/13/76/76/416137676.db2.gz DGRZDUAPEIXBNR-SECBINFHSA-N 0 0 311.304 0.828 10 0 DCAERN Cc1cc(CN2CCN(C[C@H](C)CS(C)(=O)=O)CC2)no1 ZINC000176954559 416138389 /nfs/dbraw/zinc/13/83/89/416138389.db2.gz QLZPCWMUCLGMBL-LBPRGKRZSA-N 0 0 315.439 0.781 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC000357828665 416138473 /nfs/dbraw/zinc/13/84/73/416138473.db2.gz ABXQBLZLDAIHNO-AAEUAGOBSA-N 0 0 310.398 0.260 10 0 DCAERN Cc1cc(Cn2nnc(C(=O)NC[C@@H](CO)C3CC3)c2C)on1 ZINC000357834227 416139703 /nfs/dbraw/zinc/13/97/03/416139703.db2.gz ZZKAHFFSSIXADK-LBPRGKRZSA-N 0 0 319.365 0.680 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)CCc3nnc[nH]3)CC2)no1 ZINC000177206528 416142182 /nfs/dbraw/zinc/14/21/82/416142182.db2.gz PYJQADDTFHHKQS-UHFFFAOYSA-N 0 0 319.369 0.163 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177629105 416149406 /nfs/dbraw/zinc/14/94/06/416149406.db2.gz NPOLIBPJXUXILH-GFCCVEGCSA-N 0 0 313.361 0.965 10 0 DCAERN C[C@@H](NC(=O)[C@H]1COCCO1)c1cn(-c2ccccc2)nn1 ZINC000177711142 416151287 /nfs/dbraw/zinc/15/12/87/416151287.db2.gz UBQJUOKJUNFUFS-BXUZGUMPSA-N 0 0 302.334 0.860 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754211 416151537 /nfs/dbraw/zinc/15/15/37/416151537.db2.gz UNTHWJULXXLHQP-CYBMUJFWSA-N 0 0 313.361 0.699 10 0 DCAERN CC(=O)c1ccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)nc1C ZINC000345806502 416153121 /nfs/dbraw/zinc/15/31/21/416153121.db2.gz DWIFINPRLRUIBD-HNNXBMFYSA-N 0 0 316.361 0.546 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCCCF)C2=O)n(C)n1 ZINC000177879692 416154642 /nfs/dbraw/zinc/15/46/42/416154642.db2.gz IRWBULJQSMYYFS-NSHDSACASA-N 0 0 311.361 0.883 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCCOC3)CCO2)[nH]1 ZINC000177978647 416154718 /nfs/dbraw/zinc/15/47/18/416154718.db2.gz CJAHLKHYPHATGE-RYUDHWBXSA-N 0 0 323.397 0.877 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000329380642 416167557 /nfs/dbraw/zinc/16/75/57/416167557.db2.gz PWQFOTHWNWDFDF-LBPRGKRZSA-N 0 0 316.423 0.281 10 0 DCAERN O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1COCCN1 ZINC000178687928 416169396 /nfs/dbraw/zinc/16/93/96/416169396.db2.gz CAKVPSPGNLAZFC-KRWDZBQOSA-N 0 0 317.433 0.798 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)C(C)C ZINC000178810024 416174668 /nfs/dbraw/zinc/17/46/68/416174668.db2.gz TZHRLTZCNRJIST-GXTWGEPZSA-N 0 0 319.409 0.730 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000345954849 416175435 /nfs/dbraw/zinc/17/54/35/416175435.db2.gz NDLPECOWJADRDJ-OAHLLOKOSA-N 0 0 316.361 0.945 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(C)C ZINC000178928359 416177574 /nfs/dbraw/zinc/17/75/74/416177574.db2.gz BGWZIVFXQSOFEB-CYBMUJFWSA-N 0 0 312.391 0.670 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000178953409 416177998 /nfs/dbraw/zinc/17/79/98/416177998.db2.gz HHOSCODBSFGWJL-NSHDSACASA-N 0 0 317.353 0.554 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c(F)c1 ZINC000178957478 416179209 /nfs/dbraw/zinc/17/92/09/416179209.db2.gz XAXATSDEHGGEGJ-LBPRGKRZSA-N 0 0 320.368 0.189 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCCNC1=O ZINC000179089104 416182501 /nfs/dbraw/zinc/18/25/01/416182501.db2.gz JAQLHQLKULZYME-FZMZJTMJSA-N 0 0 306.362 0.731 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000179122623 416183629 /nfs/dbraw/zinc/18/36/29/416183629.db2.gz HITISRKYAIKHOW-LBPRGKRZSA-N 0 0 300.318 0.917 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000179185053 416184838 /nfs/dbraw/zinc/18/48/38/416184838.db2.gz MRTUJTFFUZCIIM-DZGCQCFKSA-N 0 0 319.405 0.062 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000179362623 416186778 /nfs/dbraw/zinc/18/67/78/416186778.db2.gz IPDRBHBYQWWGBM-MXWKQRLJSA-N 0 0 311.386 0.886 10 0 DCAERN COC[C@@H](C)N(C)C(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000179478975 416187988 /nfs/dbraw/zinc/18/79/88/416187988.db2.gz PETPZKNJLBEZPP-NEPJUHHUSA-N 0 0 306.428 0.540 10 0 DCAERN CCCCC[N@@H+](CC(N)=O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000183039113 416233894 /nfs/dbraw/zinc/23/38/94/416233894.db2.gz ATBLPPFNECMTKW-CYBMUJFWSA-N 0 0 319.471 0.636 10 0 DCAERN CC(C)c1noc(CCCNC(=O)NCC(=O)NCC2CC2)n1 ZINC000180895324 416200750 /nfs/dbraw/zinc/20/07/50/416200750.db2.gz ANFZQSYZBMHKKL-UHFFFAOYSA-N 0 0 323.397 0.951 10 0 DCAERN COCCCOCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000181264306 416203559 /nfs/dbraw/zinc/20/35/59/416203559.db2.gz BUCOCXRKQKVWRF-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN Cc1noc(COCC(=O)N2CCCC[C@H]2c2nc[nH]n2)n1 ZINC000181186357 416204586 /nfs/dbraw/zinc/20/45/86/416204586.db2.gz YCODXWITUPRAKD-JTQLQIEISA-N 0 0 306.326 0.767 10 0 DCAERN COC(=O)[C@H](O)CNC(=O)Cc1ccc(Br)s1 ZINC000181285072 416204834 /nfs/dbraw/zinc/20/48/34/416204834.db2.gz SFWSSWWQFQRYQH-SSDOTTSWSA-N 0 0 322.180 0.703 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc(C(N)=O)cs2)cn1 ZINC000181324886 416205747 /nfs/dbraw/zinc/20/57/47/416205747.db2.gz KKPMEWXSTBQBJB-NSHDSACASA-N 0 0 319.390 0.367 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc[nH]n2)CC1=O ZINC000181381572 416207025 /nfs/dbraw/zinc/20/70/25/416207025.db2.gz MOEHOFVFGCKPCJ-RYUDHWBXSA-N 0 0 321.381 0.353 10 0 DCAERN Cc1cc(CN(C)C(=O)NCCCN2C(=O)CCC2=O)no1 ZINC000358183944 416207745 /nfs/dbraw/zinc/20/77/45/416207745.db2.gz FEDJJXPMPPTRMC-UHFFFAOYSA-N 0 0 308.338 0.664 10 0 DCAERN CN(C(=O)Cc1ccn(C)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181488729 416207873 /nfs/dbraw/zinc/20/78/73/416207873.db2.gz OXEINSCFGPTGNP-CQSZACIVSA-N 0 0 314.393 0.880 10 0 DCAERN CC1=CCN(CCNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358194149 416208702 /nfs/dbraw/zinc/20/87/02/416208702.db2.gz RORUOXHPIGSAGH-ZDUSSCGKSA-N 0 0 317.455 0.713 10 0 DCAERN COc1ccccc1CCN(C)C(=O)Cn1ncn(C)c1=O ZINC000181567709 416210035 /nfs/dbraw/zinc/21/00/35/416210035.db2.gz DHDOGUMYRDEGSD-UHFFFAOYSA-N 0 0 304.350 0.292 10 0 DCAERN CCCCc1noc([C@@H](C)[S@](=O)CCCS(N)(=O)=O)n1 ZINC000358211890 416211715 /nfs/dbraw/zinc/21/17/15/416211715.db2.gz OTPWXCNTCKGURD-AYLIAGHASA-N 0 0 323.440 0.901 10 0 DCAERN COC(=O)[C@@H](NCc1cccc(N2CCOCC2)n1)C1CC1 ZINC000358258452 416217963 /nfs/dbraw/zinc/21/79/63/416217963.db2.gz ARZBANPMZGODPO-HNNXBMFYSA-N 0 0 305.378 0.959 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](CO)C2CC2)C1=O ZINC000358298117 416222295 /nfs/dbraw/zinc/22/22/95/416222295.db2.gz DNZWOQMQXSSKLZ-WCQYABFASA-N 0 0 318.373 0.935 10 0 DCAERN CCn1c2ccc(C)cc2nc1NC(=O)CN1CC(=O)NC1=O ZINC000182503804 416225322 /nfs/dbraw/zinc/22/53/22/416225322.db2.gz WKPQROZEJLITRJ-UHFFFAOYSA-N 0 0 315.333 0.855 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)C[S@@](C)=O ZINC000182784337 416230910 /nfs/dbraw/zinc/23/09/10/416230910.db2.gz DQOZYPPRTWQXMN-MGMHVRNCSA-N 0 0 322.430 0.843 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000178126022 416157937 /nfs/dbraw/zinc/15/79/37/416157937.db2.gz ANDNDSDEZGPWEI-UHFFFAOYSA-N 0 0 309.391 0.592 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCC[C@@H](Cn2cncn2)C1 ZINC000178228378 416159559 /nfs/dbraw/zinc/15/95/59/416159559.db2.gz OHCJWFOHIYVZOZ-CYBMUJFWSA-N 0 0 300.428 0.813 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178308741 416160131 /nfs/dbraw/zinc/16/01/31/416160131.db2.gz YIGOGDDLFHNPOZ-CYBMUJFWSA-N 0 0 324.344 0.742 10 0 DCAERN COC[C@@H](NC(=O)C(=O)NCc1cccnn1)c1ccccc1 ZINC000357958778 416160355 /nfs/dbraw/zinc/16/03/55/416160355.db2.gz MCOLVSNRTNZZKD-CQSZACIVSA-N 0 0 314.345 0.597 10 0 DCAERN Cc1noc(COCC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)n1 ZINC000178336874 416160654 /nfs/dbraw/zinc/16/06/54/416160654.db2.gz OPWHTJYMDUHQFF-IUODEOHRSA-N 0 0 303.318 0.669 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000178283763 416160667 /nfs/dbraw/zinc/16/06/67/416160667.db2.gz UCUPHSAVISZIIU-LLVKDONJSA-N 0 0 318.377 0.254 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178340558 416162533 /nfs/dbraw/zinc/16/25/33/416162533.db2.gz VQYRAJHFDSWFPQ-GXTWGEPZSA-N 0 0 315.304 0.934 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848427 416232996 /nfs/dbraw/zinc/23/29/96/416232996.db2.gz BEOLSKATQNMKLO-MRVPVSSYSA-N 0 0 319.287 0.734 10 0 DCAERN CC[C@H]1CO[C@H](C)CN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329359733 416165671 /nfs/dbraw/zinc/16/56/71/416165671.db2.gz BXJSZNKXOAYNNW-ZMJPVWNMSA-N 0 0 324.381 0.504 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178539984 416165946 /nfs/dbraw/zinc/16/59/46/416165946.db2.gz MZJZSUMEXFHWHQ-UHFFFAOYSA-N 0 0 308.382 0.947 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CC(n3ccnn3)C2)c1 ZINC000358451045 416239968 /nfs/dbraw/zinc/23/99/68/416239968.db2.gz FICAJHUWSJUCJU-UHFFFAOYSA-N 0 0 300.322 0.727 10 0 DCAERN C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000183591215 416246713 /nfs/dbraw/zinc/24/67/13/416246713.db2.gz KAMNJGQZHQHJQQ-CJNGLKHVSA-N 0 0 318.421 0.940 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000185057193 416252943 /nfs/dbraw/zinc/25/29/43/416252943.db2.gz LJLGFOVALXBRKX-JTQLQIEISA-N 0 0 310.441 0.225 10 0 DCAERN Cc1ccc(NCCCNC(=O)NC[C@@H](CO)C2CC2)nc1 ZINC000358560515 416253211 /nfs/dbraw/zinc/25/32/11/416253211.db2.gz SYUVFNPFAHNJRN-AWEZNQCLSA-N 0 0 306.410 1.510 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCC1(c2ccccc2)CC1 ZINC000185179667 416255188 /nfs/dbraw/zinc/25/51/88/416255188.db2.gz AVUUCQKASCYXKW-CABCVRRESA-N 0 0 304.390 0.262 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@H](C)c2nnc3n2CCCC3)CC1 ZINC000187013847 416259069 /nfs/dbraw/zinc/25/90/69/416259069.db2.gz QJWCBPAZBZNWMO-SNVBAGLBSA-N 0 0 321.381 0.928 10 0 DCAERN CO[C@H]1CCC[C@H]1CNC(=O)C(=O)N(C)Cc1cnccn1 ZINC000358616599 416260896 /nfs/dbraw/zinc/26/08/96/416260896.db2.gz PXCRCVPJWADKQS-AAEUAGOBSA-N 0 0 306.366 0.366 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CCN1CCO ZINC000188779834 416264897 /nfs/dbraw/zinc/26/48/97/416264897.db2.gz JQWJGFPTFACJPX-GFCCVEGCSA-N 0 0 308.426 0.856 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000189720161 416269643 /nfs/dbraw/zinc/26/96/43/416269643.db2.gz CNZHVOGOKLGDPB-MNOVXSKESA-N 0 0 318.439 0.573 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000190242040 416275935 /nfs/dbraw/zinc/27/59/35/416275935.db2.gz PPIXSZOQDAWXMW-NRFANRHFSA-N 0 0 309.391 0.454 10 0 DCAERN Cn1cccc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)O2)c1=O ZINC000190119393 416275961 /nfs/dbraw/zinc/27/59/61/416275961.db2.gz DCHRWGNYYOMGPI-JTQLQIEISA-N 0 0 307.350 0.398 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CC(C)(C)OC)C1 ZINC000358807433 416277405 /nfs/dbraw/zinc/27/74/05/416277405.db2.gz ZKXSCSDLXWYKDV-SDDRHHMPSA-N 0 0 300.399 0.990 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000183156668 416236637 /nfs/dbraw/zinc/23/66/37/416236637.db2.gz NZTYFBHGSCRUGL-NSHDSACASA-N 0 0 319.365 0.607 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183232599 416238366 /nfs/dbraw/zinc/23/83/66/416238366.db2.gz YFNRJBRTTXOKPB-UHFFFAOYSA-N 0 0 306.288 0.996 10 0 DCAERN COCCOCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192221032 416300846 /nfs/dbraw/zinc/30/08/46/416300846.db2.gz XVUDXLLPDJOXFX-AWEZNQCLSA-N 0 0 324.352 0.706 10 0 DCAERN O=S(=O)(CCNCc1cocn1)NC[C@H]1CCCCO1 ZINC000192311710 416303667 /nfs/dbraw/zinc/30/36/67/416303667.db2.gz FHFUHGARFIIJHR-GFCCVEGCSA-N 0 0 303.384 0.253 10 0 DCAERN CC(C)NC(=O)CCN1CCN(C(=O)c2ccccn2)CC1 ZINC000192610924 416308094 /nfs/dbraw/zinc/30/80/94/416308094.db2.gz VFWKCIUCRFDCLS-UHFFFAOYSA-N 0 0 304.394 0.754 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000192698355 416310304 /nfs/dbraw/zinc/31/03/04/416310304.db2.gz SRNJVIHUVVRUOD-LLVKDONJSA-N 0 0 324.406 0.826 10 0 DCAERN COC[C@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000193350062 416316178 /nfs/dbraw/zinc/31/61/78/416316178.db2.gz NDNCEGSDGPBXJD-NSHDSACASA-N 0 0 304.354 0.839 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CC(=O)N(CC)C2)n1 ZINC000193525514 416317135 /nfs/dbraw/zinc/31/71/35/416317135.db2.gz ONUNKTPCAZVFED-UHFFFAOYSA-N 0 0 310.379 0.682 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000193750169 416318954 /nfs/dbraw/zinc/31/89/54/416318954.db2.gz CZJNXWANFCXHQO-JTQLQIEISA-N 0 0 314.411 0.544 10 0 DCAERN CCCNC(=O)CN1CCC(N[C@@H](C(=O)OC)C2CC2)CC1 ZINC000358812857 416278969 /nfs/dbraw/zinc/27/89/69/416278969.db2.gz LMETVSMURYNPRT-OAHLLOKOSA-N 0 0 311.426 0.518 10 0 DCAERN CCS(=O)(=O)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000190492439 416279850 /nfs/dbraw/zinc/27/98/50/416279850.db2.gz KXLCHXINMXCPEZ-AWEZNQCLSA-N 0 0 304.456 0.895 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000358827114 416280325 /nfs/dbraw/zinc/28/03/25/416280325.db2.gz PRUPOFXTIVMFGS-VIFPVBQESA-N 0 0 313.370 0.755 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000190598060 416281857 /nfs/dbraw/zinc/28/18/57/416281857.db2.gz YBBVONJONKWQTB-QWHCGFSZSA-N 0 0 312.414 0.812 10 0 DCAERN COCC[C@H](C)NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358856733 416285686 /nfs/dbraw/zinc/28/56/86/416285686.db2.gz FLZXYAAPVHIDPX-NSHDSACASA-N 0 0 308.382 0.657 10 0 DCAERN CCN1CN(CCC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191550906 416286100 /nfs/dbraw/zinc/28/61/00/416286100.db2.gz QHUJEDUYJHBUCR-UHFFFAOYSA-N 0 0 318.377 0.524 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)cn1 ZINC000191750127 416288224 /nfs/dbraw/zinc/28/82/24/416288224.db2.gz KHCXAYOUDYCPIZ-ZIAGYGMSSA-N 0 0 308.382 0.134 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)C3(C(=O)OC)CC3)CCO2)cn1 ZINC000191739013 416289269 /nfs/dbraw/zinc/28/92/69/416289269.db2.gz YFCCOMNDKXVNOS-GFCCVEGCSA-N 0 0 307.350 0.756 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)cn1 ZINC000191794889 416289723 /nfs/dbraw/zinc/28/97/23/416289723.db2.gz SAQDVTXXLLXHMH-CYBMUJFWSA-N 0 0 322.409 0.965 10 0 DCAERN O=C(NCc1ccccc1OCCO)N1CCn2cncc2C1 ZINC000358943654 416295171 /nfs/dbraw/zinc/29/51/71/416295171.db2.gz NDTRVKARHCPAQU-UHFFFAOYSA-N 0 0 316.361 0.980 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(CCO)C1CC1 ZINC000191989366 416295628 /nfs/dbraw/zinc/29/56/28/416295628.db2.gz RTYPAQNITLXUDF-JTQLQIEISA-N 0 0 306.366 0.776 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262051767 416336015 /nfs/dbraw/zinc/33/60/15/416336015.db2.gz AKNSJXUDHPXTMH-ZIBATOQPSA-N 0 0 311.382 0.796 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000359587688 416352018 /nfs/dbraw/zinc/35/20/18/416352018.db2.gz FUZCROLFFWTEHF-SMDDNHRTSA-N 0 0 309.410 0.223 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000194658433 416324361 /nfs/dbraw/zinc/32/43/61/416324361.db2.gz KTDOVAISFQQQQF-AWEZNQCLSA-N 0 0 310.442 0.981 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000194659206 416324561 /nfs/dbraw/zinc/32/45/61/416324561.db2.gz JHVWNDAPTPIOIR-MWLCHTKSSA-N 0 0 321.343 0.902 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)on1 ZINC000246404477 416331853 /nfs/dbraw/zinc/33/18/53/416331853.db2.gz JSACFHDYYHAXPK-AAEUAGOBSA-N 0 0 308.382 0.574 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000360107805 416371257 /nfs/dbraw/zinc/37/12/57/416371257.db2.gz MZLKFDLFDQGGQW-ZDUSSCGKSA-N 0 0 308.382 0.014 10 0 DCAERN CN1C(=O)c2ccc(C(=O)NC[C@@H](CO)C3CC3)cc2C1=O ZINC000359823745 416360843 /nfs/dbraw/zinc/36/08/43/416360843.db2.gz QRJIGPCPUPFQHJ-NSHDSACASA-N 0 0 302.330 0.661 10 0 DCAERN CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC(=O)N(C)C2)c1 ZINC000360465779 416392009 /nfs/dbraw/zinc/39/20/09/416392009.db2.gz FKDXDYVZDFEENO-SNVBAGLBSA-N 0 0 304.350 0.105 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N1CCCS(=O)(=O)CC1 ZINC000360489579 416392506 /nfs/dbraw/zinc/39/25/06/416392506.db2.gz GVGTZWYILFKVMG-UHFFFAOYSA-N 0 0 322.390 0.893 10 0 DCAERN CN(C(=O)CN1CC(=O)N(C)C1)c1nc2ccccc2s1 ZINC000360491944 416393239 /nfs/dbraw/zinc/39/32/39/416393239.db2.gz OOYGHPWQDOMGPD-UHFFFAOYSA-N 0 0 304.375 0.991 10 0 DCAERN CCOCc1ccccc1CNC(=O)CN1CC(=O)N(C)C1 ZINC000360503061 416393722 /nfs/dbraw/zinc/39/37/22/416393722.db2.gz HYMIMGIYPFDNFV-UHFFFAOYSA-N 0 0 305.378 0.571 10 0 DCAERN CC(=O)NCC1CCN(C(=O)N[C@@H]2CCCN(C)C2=O)CC1 ZINC000360586211 416397693 /nfs/dbraw/zinc/39/76/93/416397693.db2.gz ZXAGJTFRJXCHOB-CYBMUJFWSA-N 0 0 310.398 0.165 10 0 DCAERN COC[C@H](C)[C@@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000360629299 416400485 /nfs/dbraw/zinc/40/04/85/416400485.db2.gz REDPSJDFLZQZDH-NWDGAFQWSA-N 0 0 320.455 0.693 10 0 DCAERN CC(C)NS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000360735360 416406650 /nfs/dbraw/zinc/40/66/50/416406650.db2.gz CSXOLVCIACJDIU-UHFFFAOYSA-N 0 0 317.455 0.954 10 0 DCAERN CC[C@@H](NC(=O)NCC[C@H]1COc2ccccc2O1)C(N)=O ZINC000458547079 416478143 /nfs/dbraw/zinc/47/81/43/416478143.db2.gz IDXQKTPMKMZLAJ-WDEREUQCSA-N 0 0 307.350 0.780 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CC1=O ZINC000583621038 416480205 /nfs/dbraw/zinc/48/02/05/416480205.db2.gz OWRVDDFLDDSDCE-NEPJUHHUSA-N 0 0 305.382 0.093 10 0 DCAERN CCOCCC1(CNC(=O)N(C)Cc2nnnn2C)CCC1 ZINC000361243923 416426866 /nfs/dbraw/zinc/42/68/66/416426866.db2.gz KXSAUYPNJAYAMH-UHFFFAOYSA-N 0 0 310.402 0.948 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000361245070 416427577 /nfs/dbraw/zinc/42/75/77/416427577.db2.gz OOBNMHSAIQKCDS-AEGPPILISA-N 0 0 320.389 0.566 10 0 DCAERN CN1CN(Cc2ccccc2OCC(=O)N2CCCC2)CC1=O ZINC000361263122 416428171 /nfs/dbraw/zinc/42/81/71/416428171.db2.gz RGEPZYPYVOYCFK-UHFFFAOYSA-N 0 0 317.389 0.919 10 0 DCAERN CC(=O)CCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000582183077 416448882 /nfs/dbraw/zinc/44/88/82/416448882.db2.gz ZPJQCRUHPPVJIQ-CQSZACIVSA-N 0 0 310.394 0.986 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)c2ccccc2)C1 ZINC000459127218 416526138 /nfs/dbraw/zinc/52/61/38/416526138.db2.gz ZOPSRHNRIQWLTI-MCIONIFRSA-N 0 0 305.378 0.716 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000361947889 416529762 /nfs/dbraw/zinc/52/97/62/416529762.db2.gz VRKFTWDAMHMULC-MNOVXSKESA-N 0 0 308.382 0.759 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000435845751 416538280 /nfs/dbraw/zinc/53/82/80/416538280.db2.gz MXGCUUXUASFDNW-SUMWQHHRSA-N 0 0 322.405 0.609 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)C1 ZINC000471940155 416552688 /nfs/dbraw/zinc/55/26/88/416552688.db2.gz NXCRQUHRSHWIAO-LURJTMIESA-N 0 0 318.259 0.770 10 0 DCAERN Cn1cc([C@@H](NC(=O)NC[C@H](O)C(F)F)C(F)(F)F)cn1 ZINC000436383691 416556397 /nfs/dbraw/zinc/55/63/97/416556397.db2.gz BVGOSIQCWQKECJ-NKWVEPMBSA-N 0 0 316.230 0.949 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@@H]1O ZINC000434836251 416497808 /nfs/dbraw/zinc/49/78/08/416497808.db2.gz LIMBHLZTWKQIPH-QWRGUYRKSA-N 0 0 321.377 1.284 10 0 DCAERN CCc1csc(NC(=O)C(=O)N2CC(n3ccnn3)C2)n1 ZINC000435044878 416507119 /nfs/dbraw/zinc/50/71/19/416507119.db2.gz HIUAWFRBZMZDSL-UHFFFAOYSA-N 0 0 306.351 0.319 10 0 DCAERN Cc1cnc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000534809033 416508184 /nfs/dbraw/zinc/50/81/84/416508184.db2.gz OBFDHVVAUIZKRF-ZDUSSCGKSA-N 0 0 303.410 0.570 10 0 DCAERN Cn1ccc(CNC(=O)N2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000535032543 416513561 /nfs/dbraw/zinc/51/35/61/416513561.db2.gz ZPWDYFWSPUSMDN-UHFFFAOYSA-N 0 0 313.361 0.932 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000435263479 416516173 /nfs/dbraw/zinc/51/61/73/416516173.db2.gz PXKHOLXQMJOOMJ-PXAZEXFGSA-N 0 0 317.389 0.790 10 0 DCAERN Cc1cc(=NC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)[nH][nH]1 ZINC000435308571 416517143 /nfs/dbraw/zinc/51/71/43/416517143.db2.gz VLXOOLUWRSVDSK-UHFFFAOYSA-N 0 0 317.349 0.959 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC1CCC(O)CC1 ZINC000361900958 416518030 /nfs/dbraw/zinc/51/80/30/416518030.db2.gz JKHINIFJGNWZSP-UHFFFAOYSA-N 0 0 308.382 0.902 10 0 DCAERN C[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000362221816 416565561 /nfs/dbraw/zinc/56/55/61/416565561.db2.gz QGXWOWZTTINKIZ-MNOVXSKESA-N 0 0 307.398 1.524 10 0 DCAERN C[C@H]1CCOCCN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000365244234 416600895 /nfs/dbraw/zinc/60/08/95/416600895.db2.gz CSICJNHHIIXVBP-NSHDSACASA-N 0 0 316.365 1.520 10 0 DCAERN CC(=O)NC(C)(C)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598549763 416605419 /nfs/dbraw/zinc/60/54/19/416605419.db2.gz ZWHHGFCOLDXJFY-UHFFFAOYSA-N 0 0 324.381 1.078 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCSC[C@H]3CCO)cnc21 ZINC000541720914 416610534 /nfs/dbraw/zinc/61/05/34/416610534.db2.gz DOUDNOKHMZLGEF-SNVBAGLBSA-N 0 0 307.379 0.303 10 0 DCAERN CN1CCOC[C@H]1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000538829486 416573292 /nfs/dbraw/zinc/57/32/92/416573292.db2.gz SSVIAFFPUAQINC-INIZCTEOSA-N 0 0 314.389 0.878 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000547345323 416678429 /nfs/dbraw/zinc/67/84/29/416678429.db2.gz MKWSMARAFAUVQW-QWRGUYRKSA-N 0 0 311.386 1.037 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1C[C@@H](F)C[C@@H]1CO ZINC000366668371 416635637 /nfs/dbraw/zinc/63/56/37/416635637.db2.gz WRCPBWRKOLVKHH-OYNCUSHFSA-N 0 0 315.374 0.420 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC(=O)N1C ZINC000367114077 416640116 /nfs/dbraw/zinc/64/01/16/416640116.db2.gz PTNGWZFYUJFCBS-VGMNWLOBSA-N 0 0 321.299 0.133 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)N1CCC[C@@H]1C ZINC000494586500 416646834 /nfs/dbraw/zinc/64/68/34/416646834.db2.gz MMCBKJFZKFESSH-NWDGAFQWSA-N 0 0 303.428 0.658 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cccc2ncnn21)C1CC1 ZINC000543848226 416650723 /nfs/dbraw/zinc/65/07/23/416650723.db2.gz JCJKXMVHHGOLJJ-JTQLQIEISA-N 0 0 322.390 0.767 10 0 DCAERN CNc1ccc(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cn1 ZINC000367700753 416651663 /nfs/dbraw/zinc/65/16/63/416651663.db2.gz XBIRMURVLWXCRD-CYBMUJFWSA-N 0 0 301.350 1.071 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)C)no1 ZINC000609889701 416654678 /nfs/dbraw/zinc/65/46/78/416654678.db2.gz WTVZWOSTUATMEP-JTQLQIEISA-N 0 0 309.322 0.864 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)cn1 ZINC000514587109 416664499 /nfs/dbraw/zinc/66/44/99/416664499.db2.gz YUFNFLGDOYTUGG-KBPBESRZSA-N 0 0 321.377 0.786 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@H](O)COCC2CC2)n1 ZINC000441442389 416671408 /nfs/dbraw/zinc/67/14/08/416671408.db2.gz BPXCKJVPUQEVPZ-AWEZNQCLSA-N 0 0 323.393 0.719 10 0 DCAERN COC[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)C1CC1 ZINC000623100689 416747630 /nfs/dbraw/zinc/74/76/30/416747630.db2.gz KAHYJUMOZPOKGZ-FRRDWIJNSA-N 0 0 308.382 0.974 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)N1CC(=O)N(C2CC2)C1 ZINC000623115547 416749282 /nfs/dbraw/zinc/74/92/82/416749282.db2.gz NPPUFMCFVAUMTM-DGCLKSJQSA-N 0 0 319.365 0.224 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000443331191 416749694 /nfs/dbraw/zinc/74/96/94/416749694.db2.gz DSDCWADUBYYHQB-UHFFFAOYSA-N 0 0 306.366 0.461 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000443333573 416750895 /nfs/dbraw/zinc/75/08/95/416750895.db2.gz ZYQGQNPYCMKKIH-UHFFFAOYSA-N 0 0 305.334 0.351 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2cnc(C)nc2)n1 ZINC000442331622 416690385 /nfs/dbraw/zinc/69/03/85/416690385.db2.gz YANZFZXFSZFOTB-UHFFFAOYSA-N 0 0 315.333 0.486 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000554550572 416708323 /nfs/dbraw/zinc/70/83/23/416708323.db2.gz ZMPCOIOIQXLGOO-UHFFFAOYSA-N 0 0 316.365 0.692 10 0 DCAERN CN(CCCO)C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000443001062 416725399 /nfs/dbraw/zinc/72/53/99/416725399.db2.gz ORNCTWVCHYESCN-UHFFFAOYSA-N 0 0 314.345 0.641 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369143984 416728252 /nfs/dbraw/zinc/72/82/52/416728252.db2.gz NGLZHEHYFNLILF-KGLIPLIRSA-N 0 0 310.394 0.510 10 0 DCAERN CC(C)CO[C@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000557462859 416734357 /nfs/dbraw/zinc/73/43/57/416734357.db2.gz MFISKDFRFLJIKY-GFCCVEGCSA-N 0 0 320.455 0.835 10 0 DCAERN Cc1ccc(-n2nnnc2N2CCN3CCOC[C@@H]3C2)cc1 ZINC000369408411 416769816 /nfs/dbraw/zinc/76/98/16/416769816.db2.gz LMFOKDJHVYQBSJ-AWEZNQCLSA-N 0 0 300.366 0.492 10 0 DCAERN CN1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000631897292 416782766 /nfs/dbraw/zinc/78/27/66/416782766.db2.gz SNPQXMYZTZGHLW-UONOGXRCSA-N 0 0 302.440 0.911 10 0 DCAERN COc1ncccc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000370015654 416867867 /nfs/dbraw/zinc/86/78/67/416867867.db2.gz FCXJPUMFMFTGNV-ZDUSSCGKSA-N 0 0 319.361 0.600 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000623693762 416869283 /nfs/dbraw/zinc/86/92/83/416869283.db2.gz OXZBERDYEHMRFN-YVECIDJPSA-N 0 0 313.398 0.332 10 0 DCAERN Cn1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2=O)n1 ZINC000370048989 416875290 /nfs/dbraw/zinc/87/52/90/416875290.db2.gz FMLAPTWMRAAZNR-LLVKDONJSA-N 0 0 314.349 0.556 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)c1cnc2ccccc2c1 ZINC000445049683 416882277 /nfs/dbraw/zinc/88/22/77/416882277.db2.gz QKSLHSSZXKOVTQ-UHFFFAOYSA-N 0 0 318.362 0.579 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000632054726 416886054 /nfs/dbraw/zinc/88/60/54/416886054.db2.gz GKKRBCWNWJJAJG-ILXRZTDVSA-N 0 0 322.405 0.984 10 0 DCAERN CC1(C)CN(CC(=O)NC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000369868855 416842145 /nfs/dbraw/zinc/84/21/45/416842145.db2.gz VLXDPNUXNUZYGM-MRXNPFEDSA-N 0 0 312.410 0.552 10 0 DCAERN CCOC(=O)CC(=O)N[C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444539222 416847453 /nfs/dbraw/zinc/84/74/53/416847453.db2.gz AIBSQKOQUSDZRS-MEBBXXQBSA-N 0 0 315.366 0.803 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2C[C@H](F)C[C@H]2CO)CC1 ZINC000444549471 416847990 /nfs/dbraw/zinc/84/79/90/416847990.db2.gz MGTUCEWUNBYOIZ-NEPJUHHUSA-N 0 0 301.362 0.311 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)c2cnn(C)c2N)n1 ZINC000615852478 416923431 /nfs/dbraw/zinc/92/34/31/416923431.db2.gz UDZRLPYLYKHPQN-UHFFFAOYSA-N 0 0 323.378 0.608 10 0 DCAERN CN(C)C(=O)Cn1cnc(NC(=O)N2CCCC23CCC3)n1 ZINC000373106900 416948748 /nfs/dbraw/zinc/94/87/48/416948748.db2.gz NSJOUMWSVRPHEM-UHFFFAOYSA-N 0 0 306.370 0.917 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)[C@@H]2C1 ZINC000624076251 416952360 /nfs/dbraw/zinc/95/23/60/416952360.db2.gz OIJJTGMWFSKQJB-YHQUGGNUSA-N 0 0 322.409 0.197 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@H]2COCCO2)c1 ZINC000447127237 416967026 /nfs/dbraw/zinc/96/70/26/416967026.db2.gz CCAIIZFKDLUSHD-JTQLQIEISA-N 0 0 312.297 0.304 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCSC[C@@H]1CCO ZINC000447223928 416972584 /nfs/dbraw/zinc/97/25/84/416972584.db2.gz UUUVDDKJDKGYGC-JTQLQIEISA-N 0 0 313.354 0.486 10 0 DCAERN COCCO[C@H]1C[C@@H](CO)CN(CC(=O)N(C)CC2CC2)C1 ZINC000447386193 416998506 /nfs/dbraw/zinc/99/85/06/416998506.db2.gz QEXLIGAOHQWWFT-CABCVRRESA-N 0 0 314.426 0.201 10 0 DCAERN CC(=O)C1(NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000632448868 417096177 /nfs/dbraw/zinc/09/61/77/417096177.db2.gz IEUGTZAXNXHLBB-UHFFFAOYSA-N 0 0 322.386 0.552 10 0 DCAERN Cn1cc(O[C@@H]2CN(c3ccnc(C4CC4)n3)C[C@H]2O)cn1 ZINC000624423035 417036060 /nfs/dbraw/zinc/03/60/60/417036060.db2.gz QQUAQOATMQJLKC-CHWSQXEVSA-N 0 0 301.350 0.716 10 0 DCAERN NC(=O)N[C@H]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000447886467 417036105 /nfs/dbraw/zinc/03/61/05/417036105.db2.gz ROSNDWIMPVFTAW-NSHDSACASA-N 0 0 315.370 0.342 10 0 DCAERN COc1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cn1 ZINC000447904488 417040056 /nfs/dbraw/zinc/04/00/56/417040056.db2.gz QIEPIVCYOOMEIE-OAHLLOKOSA-N 0 0 303.318 0.642 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@H](CO)c1ccccc1 ZINC000616433523 417045742 /nfs/dbraw/zinc/04/57/42/417045742.db2.gz QPKRBAHKRGOQMX-PBHICJAKSA-N 0 0 320.389 0.516 10 0 DCAERN COC[C@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000522111259 417046986 /nfs/dbraw/zinc/04/69/86/417046986.db2.gz VJSXPMUMCKSJHI-CZUORRHYSA-N 0 0 321.377 0.489 10 0 DCAERN c1nc2ncnc(N[C@@H]3CCN(c4ccc5nncn5n4)C3)c2[nH]1 ZINC000624533158 417055288 /nfs/dbraw/zinc/05/52/88/417055288.db2.gz MUABXDSQZJBKLR-SECBINFHSA-N 0 0 322.336 0.481 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000522224403 417057835 /nfs/dbraw/zinc/05/78/35/417057835.db2.gz HIVYFTGVSJQUEK-RFGFWPKPSA-N 0 0 323.455 0.296 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)c2cn3cccnc3n2)c1 ZINC000523265192 417077749 /nfs/dbraw/zinc/07/77/49/417077749.db2.gz HDEXRRDOZPGSOQ-UHFFFAOYSA-N 0 0 309.329 0.801 10 0 DCAERN Cn1cnnc1S[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000616581493 417081820 /nfs/dbraw/zinc/08/18/20/417081820.db2.gz VHTYTPLVJNATNI-RKDXNWHRSA-N 0 0 300.384 0.887 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc[nH]n2)CC1 ZINC000616595818 417084286 /nfs/dbraw/zinc/08/42/86/417084286.db2.gz ZALWGZOBFYWOTD-GFCCVEGCSA-N 0 0 308.363 0.957 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616593253 417084380 /nfs/dbraw/zinc/08/43/80/417084380.db2.gz IODCDRLNXNJJTM-NSHDSACASA-N 0 0 308.363 0.609 10 0 DCAERN COC(=O)[C@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616664316 417090761 /nfs/dbraw/zinc/09/07/61/417090761.db2.gz VUTMBVWLDTVYQY-LLVKDONJSA-N 0 0 302.371 0.633 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2ncccn2)C1 ZINC000616653231 417091108 /nfs/dbraw/zinc/09/11/08/417091108.db2.gz JSPUVDZGXDUGDH-CYBMUJFWSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2cccc3nnccc32)CC1 ZINC000616666431 417091441 /nfs/dbraw/zinc/09/14/41/417091441.db2.gz LDJRJMPAHFUDAU-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1cc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)ccn1 ZINC000616690152 417094647 /nfs/dbraw/zinc/09/46/47/417094647.db2.gz CNGKFWFYCMRDQY-LLVKDONJSA-N 0 0 305.363 0.841 10 0 DCAERN CC(=O)c1cn(CC(=O)NCCOc2ccc(F)cc2F)nn1 ZINC000448926182 417109247 /nfs/dbraw/zinc/10/92/47/417109247.db2.gz SVDNWFHENPLJRY-UHFFFAOYSA-N 0 0 324.287 0.954 10 0 DCAERN Cc1c(CCC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cnn1C ZINC000616773133 417109392 /nfs/dbraw/zinc/10/93/92/417109392.db2.gz MXLGFIHPDGNQPS-IPYPFGDCSA-N 0 0 303.366 0.348 10 0 DCAERN Cn1ncc(NCC[C@]2(O)CCOC2)c(Br)c1=O ZINC000404197264 417117703 /nfs/dbraw/zinc/11/77/03/417117703.db2.gz GHSLVCKLWFCGEC-NSHDSACASA-N 0 0 318.171 0.496 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cc(C3CCCC3)[nH]n2)C1 ZINC000408049752 417137870 /nfs/dbraw/zinc/13/78/70/417137870.db2.gz FESUEIKIGALZDR-MRXNPFEDSA-N 0 0 320.393 1.379 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408056711 417138660 /nfs/dbraw/zinc/13/86/60/417138660.db2.gz KRGJCORGJPDSIT-CVEARBPZSA-N 0 0 312.410 0.371 10 0 DCAERN Cc1cc(N)nc(SC[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000408145293 417142421 /nfs/dbraw/zinc/14/24/21/417142421.db2.gz GWNJPQKLIDXTQV-SECBINFHSA-N 0 0 302.425 0.741 10 0 DCAERN CCc1csc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)n1 ZINC000434715756 287357193 /nfs/dbraw/zinc/35/71/93/287357193.db2.gz BIQURZHDZKGCSQ-LURJTMIESA-N 0 0 311.285 0.683 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CCN1C[C@H](C)O ZINC000408140222 417143107 /nfs/dbraw/zinc/14/31/07/417143107.db2.gz QRITXDBOPBHBQA-MELADBBJSA-N 0 0 319.471 0.350 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)CC(C)C)CCN1C[C@H](C)O ZINC000408136654 417144249 /nfs/dbraw/zinc/14/42/49/417144249.db2.gz GJBXPTYXCBSXBM-UONOGXRCSA-N 0 0 321.487 0.596 10 0 DCAERN CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)onc2N)[C@@H](C)C1 ZINC000408206117 417148597 /nfs/dbraw/zinc/14/85/97/417148597.db2.gz MRKFANRMPCDZMP-ONGXEEELSA-N 0 0 316.427 0.916 10 0 DCAERN O=C(N[C@@H]1CC[S@@](=O)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408311434 417154986 /nfs/dbraw/zinc/15/49/86/417154986.db2.gz YWILKSJRXHZEBL-PZZDIQNFSA-N 0 0 300.302 0.216 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)[nH]1 ZINC000526004392 417173519 /nfs/dbraw/zinc/17/35/19/417173519.db2.gz NEAXWIPKJJUQPA-WCQYABFASA-N 0 0 319.409 0.763 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[C@H]1C ZINC000568833629 417181573 /nfs/dbraw/zinc/18/15/73/417181573.db2.gz NITVOYQPSMJCII-BDAKNGLRSA-N 0 0 304.393 0.363 10 0 DCAERN CCN(CCCO)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000437800818 287364519 /nfs/dbraw/zinc/36/45/19/287364519.db2.gz OKBVKZSSHCSFFC-UHFFFAOYSA-N 0 0 315.395 0.831 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)NCC3(CO)COC3)nc2c1 ZINC000437993496 287364889 /nfs/dbraw/zinc/36/48/89/287364889.db2.gz NNQCDMVCYWVRIC-UHFFFAOYSA-N 0 0 304.350 0.679 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617264920 417192557 /nfs/dbraw/zinc/19/25/57/417192557.db2.gz RRNXCFWXKWDUGR-ZIAGYGMSSA-N 0 0 305.382 0.528 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC000527115646 417213686 /nfs/dbraw/zinc/21/36/86/417213686.db2.gz PJCYJUSEUAPLID-HNNXBMFYSA-N 0 0 301.350 0.860 10 0 DCAERN COc1cncc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1C ZINC000632865486 417282346 /nfs/dbraw/zinc/28/23/46/417282346.db2.gz KIRPDCMGLULJFJ-LLVKDONJSA-N 0 0 316.365 0.917 10 0 DCAERN CC1(C)CN(C(=O)COC2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000527276891 417232314 /nfs/dbraw/zinc/23/23/14/417232314.db2.gz XEIATFCMPUIDET-MRXNPFEDSA-N 0 0 313.394 0.979 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOCC2CCC2)CCS(=O)(=O)C1 ZINC000569301845 417236283 /nfs/dbraw/zinc/23/62/83/417236283.db2.gz JHNQADHWDBXIEK-GFCCVEGCSA-N 0 0 318.439 0.879 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccnc(N(C)C)n2)CC12COC2 ZINC000450572456 417240876 /nfs/dbraw/zinc/24/08/76/417240876.db2.gz UBUHGSHUOKBUNF-LLVKDONJSA-N 0 0 306.366 0.559 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cnn(C(C)C)c2)CC1 ZINC000569471043 417256704 /nfs/dbraw/zinc/25/67/04/417256704.db2.gz FVOOSFONROCKPD-GFCCVEGCSA-N 0 0 308.382 0.922 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccco1 ZINC000643703948 417310979 /nfs/dbraw/zinc/31/09/79/417310979.db2.gz HAQCSSPZNVTITQ-GFCCVEGCSA-N 0 0 302.352 0.195 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(N3CCC3)nc2)[C@H](C)C1 ZINC000621917109 417345310 /nfs/dbraw/zinc/34/53/10/417345310.db2.gz KYHKNMDASDJOBI-GFCCVEGCSA-N 0 0 302.378 0.985 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000633171289 417383512 /nfs/dbraw/zinc/38/35/12/417383512.db2.gz HDINEHNXRNDPAQ-BYCMXARLSA-N 0 0 317.389 0.771 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC000633297557 417402977 /nfs/dbraw/zinc/40/29/77/417402977.db2.gz UQNQJODAJJKBJD-DGCLKSJQSA-N 0 0 319.365 0.208 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000633351346 417413632 /nfs/dbraw/zinc/41/36/32/417413632.db2.gz RHIGJLAHPXMZPU-VWYCJHECSA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000633133118 417375938 /nfs/dbraw/zinc/37/59/38/417375938.db2.gz AAIFGODIFSYFFV-CQSZACIVSA-N 0 0 301.346 0.922 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC2CCOCC2)CC12COC2 ZINC000452269304 417464657 /nfs/dbraw/zinc/46/46/57/417464657.db2.gz XQLOYAUCFKIUNH-CYBMUJFWSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC2(OC)CCC2)CC12COC2 ZINC000452266766 417464746 /nfs/dbraw/zinc/46/47/46/417464746.db2.gz UARUUQAIPONMON-LBPRGKRZSA-N 0 0 311.378 0.984 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@H](CO)[C@H]2CCOC2)n1 ZINC000573159485 417466685 /nfs/dbraw/zinc/46/66/85/417466685.db2.gz TZZYQVYMCOOFSK-WDEREUQCSA-N 0 0 311.386 0.800 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@H]2CCCCN2CCO)n(C)c1 ZINC000452390190 417479808 /nfs/dbraw/zinc/47/98/08/417479808.db2.gz NRMRTUKLZGJNDC-CQSZACIVSA-N 0 0 307.394 0.804 10 0 DCAERN CCOc1ncccc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644305815 417533592 /nfs/dbraw/zinc/53/35/92/417533592.db2.gz GKNTUZNYTCVFJC-LBPRGKRZSA-N 0 0 307.350 0.792 10 0 DCAERN COCC(COC)NC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000453923232 417537992 /nfs/dbraw/zinc/53/79/92/417537992.db2.gz AHZGWZIBDKSTNM-UHFFFAOYSA-N 0 0 323.393 0.777 10 0 DCAERN O=S1(=O)CCC[C@H]1c1nc(I)no1 ZINC000575600134 417539676 /nfs/dbraw/zinc/53/96/76/417539676.db2.gz NGPQHQZFFJCNKK-BYPYZUCNSA-N 0 0 314.104 0.924 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CC(C)(C(N)=O)C1 ZINC000575805184 417549851 /nfs/dbraw/zinc/54/98/51/417549851.db2.gz AJRIGVYTKSPJSS-UHFFFAOYSA-N 0 0 317.389 0.411 10 0 DCAERN CO[C@](C)(CNC(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000575918520 417560860 /nfs/dbraw/zinc/56/08/60/417560860.db2.gz PQHKBDYNMZJDHU-OAHLLOKOSA-N 0 0 319.365 0.061 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000633866418 417501045 /nfs/dbraw/zinc/50/10/45/417501045.db2.gz BINQCVYZIVYNLS-VXGBXAGGSA-N 0 0 323.393 0.613 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000633867411 417501772 /nfs/dbraw/zinc/50/17/72/417501772.db2.gz NCFACEOYCGFAHC-VXGBXAGGSA-N 0 0 323.393 0.613 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(C)c1 ZINC000633876301 417505690 /nfs/dbraw/zinc/50/56/90/417505690.db2.gz LKWWXBCCUNRWKK-IYBDPMFKSA-N 0 0 317.345 0.353 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000530514076 417582769 /nfs/dbraw/zinc/58/27/69/417582769.db2.gz QGSLNKIQBDAGOV-QJPTWQEYSA-N 0 0 304.412 0.820 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCc2cn[nH]c2)CC12COC2 ZINC000454973426 417587231 /nfs/dbraw/zinc/58/72/31/417587231.db2.gz MIYZWJMFSJPTDJ-LBPRGKRZSA-N 0 0 322.365 0.173 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](CC)OC)CC12COC2 ZINC000454971782 417587994 /nfs/dbraw/zinc/58/79/94/417587994.db2.gz AKHKXMALZRGYAU-RYUDHWBXSA-N 0 0 314.382 0.633 10 0 DCAERN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N1CCCCC1=O ZINC000530294758 417563015 /nfs/dbraw/zinc/56/30/15/417563015.db2.gz NQMKVDDBXQLWSG-SNVBAGLBSA-N 0 0 304.350 0.311 10 0 DCAERN CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@@H](C)O ZINC000454462636 417563689 /nfs/dbraw/zinc/56/36/89/417563689.db2.gz NNCALMXLEUKXIP-BXKDBHETSA-N 0 0 315.395 0.876 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(CC)OC)C1 ZINC000454691842 417575245 /nfs/dbraw/zinc/57/52/45/417575245.db2.gz ZXUFAULQBYCMKK-BXUZGUMPSA-N 0 0 300.403 0.905 10 0 DCAERN Cc1cn2cc(C(=O)NCCN3C(=O)CCCC3=O)sc2n1 ZINC000440275146 287396564 /nfs/dbraw/zinc/39/65/64/287396564.db2.gz ZAINANNXCFITOH-UHFFFAOYSA-N 0 0 320.374 0.973 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000531567486 417628197 /nfs/dbraw/zinc/62/81/97/417628197.db2.gz HVIROUORIYYCTK-UHFFFAOYSA-N 0 0 303.351 0.934 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC000531616817 417629821 /nfs/dbraw/zinc/62/98/21/417629821.db2.gz APLXAFMKKIIDMN-LLVKDONJSA-N 0 0 301.350 0.868 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@H](C)C1 ZINC000532170779 417664060 /nfs/dbraw/zinc/66/40/60/417664060.db2.gz SJBBZQLIRRSRLU-OCCSQVGLSA-N 0 0 309.410 0.570 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)[C@H](C)C1 ZINC000532171110 417664412 /nfs/dbraw/zinc/66/44/12/417664412.db2.gz LVUOMBHWZOGHEO-SNVBAGLBSA-N 0 0 316.361 0.972 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000532282457 417670565 /nfs/dbraw/zinc/67/05/65/417670565.db2.gz UFGZAZGUIOUFIB-NSHDSACASA-N 0 0 308.386 0.843 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)CCCN2C(=O)CCC2=O)no1 ZINC000577176861 417670818 /nfs/dbraw/zinc/67/08/18/417670818.db2.gz BSTJIASYKCEHEL-UHFFFAOYSA-N 0 0 322.365 0.913 10 0 DCAERN COC(=O)CC1(CC(=O)N2CC(S(C)(=O)=O)C2)CCCC1 ZINC000456977016 417673157 /nfs/dbraw/zinc/67/31/57/417673157.db2.gz XPPYGJFJLLDFJI-UHFFFAOYSA-N 0 0 317.407 0.755 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(CCO)CC2)C1 ZINC000532387977 417675386 /nfs/dbraw/zinc/67/53/86/417675386.db2.gz AGXIDMXWWHTBMG-CYBMUJFWSA-N 0 0 312.414 0.594 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CCCCO2)CC12COC2 ZINC000457825618 417710111 /nfs/dbraw/zinc/71/01/11/417710111.db2.gz VVWRGYLYZRYYOK-SWLSCSKDSA-N 0 0 311.378 0.984 10 0 DCAERN CC(C)(C(=O)NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000458126298 417723001 /nfs/dbraw/zinc/72/30/01/417723001.db2.gz BYRPDUYLVAOTMP-ZDUSSCGKSA-N 0 0 306.341 0.872 10 0 DCAERN O=C(C[C@@H](O)Cc1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000580809524 417723745 /nfs/dbraw/zinc/72/37/45/417723745.db2.gz SMYSGVGDIRDGSW-RDJZCZTQSA-N 0 0 305.374 0.998 10 0 DCAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458132842 417724150 /nfs/dbraw/zinc/72/41/50/417724150.db2.gz HXTPXLGFVIAJQP-MCIONIFRSA-N 0 0 310.398 0.741 10 0 DCAERN COCCOCCS(=O)(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000443758207 287415990 /nfs/dbraw/zinc/41/59/90/287415990.db2.gz DBZQUSFRNSHLJC-UHFFFAOYSA-N 0 0 317.411 0.582 10 0 DCAERN c1cn(-c2cc(N3CCO[C@@H](Cn4ccnn4)C3)ncn2)cn1 ZINC000631376833 417866589 /nfs/dbraw/zinc/86/65/89/417866589.db2.gz FMHLLUPLRFLSMJ-GFCCVEGCSA-N 0 0 312.337 0.159 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)N1C[C@H](F)C[C@@H]1CO ZINC000444548889 287427530 /nfs/dbraw/zinc/42/75/30/287427530.db2.gz LVQVSXFMRHELCM-RKDXNWHRSA-N 0 0 311.338 0.389 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000654920031 418203362 /nfs/dbraw/zinc/20/33/62/418203362.db2.gz IEWLVWQOWANISQ-DYEKYZERSA-N 0 0 301.408 0.717 10 0 DCAERN CN(CC(=O)N1CCOCC1)Cc1nnc(C2CCC2)n1C ZINC000181067331 545902384 /nfs/dbraw/zinc/90/23/84/545902384.db2.gz KHJCBCBBYOKRRY-UHFFFAOYSA-N 0 0 307.398 0.373 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(O)cc2O)CC12COC2 ZINC000452614778 287482680 /nfs/dbraw/zinc/48/26/80/287482680.db2.gz QITJDZHRFHWSQM-LBPRGKRZSA-N 0 0 321.329 0.750 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189194819 545920434 /nfs/dbraw/zinc/92/04/34/545920434.db2.gz RGAFGLBRJUSCRJ-ADEWGFFLSA-N 0 0 303.384 0.204 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)sn1 ZINC000487137271 287533119 /nfs/dbraw/zinc/53/31/19/287533119.db2.gz PQFJLPZHOKGQDU-RKDXNWHRSA-N 0 0 313.379 0.638 10 0 DCAERN CCCCCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000487334862 287534908 /nfs/dbraw/zinc/53/49/08/287534908.db2.gz MLHGZRCFDQRDKO-GHMZBOCLSA-N 0 0 322.427 0.552 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnccc1C ZINC000488300354 287548909 /nfs/dbraw/zinc/54/89/09/287548909.db2.gz ULDUMXRTNDKZFN-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC000488305601 287549105 /nfs/dbraw/zinc/54/91/05/287549105.db2.gz FHNKYTUHLGOCAC-UWVGGRQHSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000488250968 287547546 /nfs/dbraw/zinc/54/75/46/287547546.db2.gz ORJKGAFORFYLIE-FHUSYTEZSA-N 0 0 310.394 0.995 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N1CCC[C@H]1CO ZINC000489517247 287554687 /nfs/dbraw/zinc/55/46/87/287554687.db2.gz REWFWRPSLYKBAZ-LBPRGKRZSA-N 0 0 303.366 0.828 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC2CCC(O)CC2)C[C@H](C)O1 ZINC000227647489 545944835 /nfs/dbraw/zinc/94/48/35/545944835.db2.gz RFFZQDMVDJNNEY-ZSVAQUKISA-N 0 0 306.428 0.481 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000299738780 229372978 /nfs/dbraw/zinc/37/29/78/229372978.db2.gz GHUWJCYVYPAHCY-SNVBAGLBSA-N 0 0 305.363 0.916 10 0 DCAERN COc1ccc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cn1 ZINC000299739935 229374721 /nfs/dbraw/zinc/37/47/21/229374721.db2.gz TWSIJNKCGKRLHP-GFCCVEGCSA-N 0 0 316.365 0.618 10 0 DCAERN O=S1(=O)CCN(CCCNc2ccnc(C3CC3)n2)CC1 ZINC000302014662 230034475 /nfs/dbraw/zinc/03/44/75/230034475.db2.gz LFFMTPBXTKESCT-UHFFFAOYSA-N 0 0 310.423 0.886 10 0 DCAERN Cc1nc(C)c(C)c(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000302031687 230049311 /nfs/dbraw/zinc/04/93/11/230049311.db2.gz SJQQUNUHVFVQBU-UHFFFAOYSA-N 0 0 312.439 0.934 10 0 DCAERN Cc1nc(C(=O)NCCc2cccc(C(N)=O)c2)c(=O)[nH]c1C ZINC000179162965 261111965 /nfs/dbraw/zinc/11/19/65/261111965.db2.gz FUMFZFYXYHHDFQ-UHFFFAOYSA-N 0 0 314.345 0.458 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCOC1 ZINC000179201958 261112052 /nfs/dbraw/zinc/11/20/52/261112052.db2.gz KZFNTGICXQNDIB-UWVGGRQHSA-N 0 0 316.354 0.398 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(C)C ZINC000179706421 261113641 /nfs/dbraw/zinc/11/36/41/261113641.db2.gz MQLDTQNIVBSDAT-GFCCVEGCSA-N 0 0 301.350 0.972 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)c1 ZINC000183549890 261116264 /nfs/dbraw/zinc/11/62/64/261116264.db2.gz PILUGCPUVXLCJD-AWEZNQCLSA-N 0 0 303.366 0.395 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(C)C ZINC000183173089 261116516 /nfs/dbraw/zinc/11/65/16/261116516.db2.gz IRPJQQMXPLMPCR-HNNXBMFYSA-N 0 0 303.362 0.611 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)O1 ZINC000187420793 261124157 /nfs/dbraw/zinc/12/41/57/261124157.db2.gz JPNUYCSSKRUIQP-SNVBAGLBSA-N 0 0 309.370 0.396 10 0 DCAERN C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187878968 261124932 /nfs/dbraw/zinc/12/49/32/261124932.db2.gz LNDPJNVILJJTON-ZYHUDNBSSA-N 0 0 310.350 0.969 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CC[C@H](C)[C@@H](OC)C1)C(C)C ZINC000187707355 261125117 /nfs/dbraw/zinc/12/51/17/261125117.db2.gz ATEOVWSHGBNUIP-OBJOEFQTSA-N 0 0 300.399 0.657 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2cc(C(N)=O)co2)C1 ZINC000188252091 261125835 /nfs/dbraw/zinc/12/58/35/261125835.db2.gz PHYVEBNNOYRPLP-SECBINFHSA-N 0 0 301.368 0.445 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cn2ccnc2s1 ZINC000188291244 261126705 /nfs/dbraw/zinc/12/67/05/261126705.db2.gz LTCUVWUNAFNSBG-UHFFFAOYSA-N 0 0 302.381 0.065 10 0 DCAERN Cc1cc(CCNC(=O)Cn2ncn(C)c2=O)cc(C)c1O ZINC000188683815 261129852 /nfs/dbraw/zinc/12/98/52/261129852.db2.gz QTPRNKNPYKJLTP-UHFFFAOYSA-N 0 0 304.350 0.263 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCC3(CCO)CC3)cc2[nH]1 ZINC000188939898 261131001 /nfs/dbraw/zinc/13/10/01/261131001.db2.gz MUTZKZFXIAAPLW-UHFFFAOYSA-N 0 0 311.363 0.297 10 0 DCAERN CC(=O)NC1CN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000190463556 261134303 /nfs/dbraw/zinc/13/43/03/261134303.db2.gz WQLLGHDVWKFEDH-LLVKDONJSA-N 0 0 303.362 0.542 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(N(C)C)c2C)C1 ZINC000191343519 261137296 /nfs/dbraw/zinc/13/72/96/261137296.db2.gz RFPDTAWSSRJCSO-UHFFFAOYSA-N 0 0 318.377 0.346 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)C(N)=O ZINC000192825299 261139894 /nfs/dbraw/zinc/13/98/94/261139894.db2.gz XIAFEUHQJUPVPT-SNVBAGLBSA-N 0 0 304.350 0.918 10 0 DCAERN COc1cccc([C@@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000193498155 261142582 /nfs/dbraw/zinc/14/25/82/261142582.db2.gz YYQUSHFGMKTIKL-UKRRQHHQSA-N 0 0 322.405 0.608 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000194256212 261146086 /nfs/dbraw/zinc/14/60/86/261146086.db2.gz PBEUGZBWUVWACK-ZBEGNZNMSA-N 0 0 313.357 0.642 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CNC(=O)C2)cc1F ZINC000194788252 261148507 /nfs/dbraw/zinc/14/85/07/261148507.db2.gz QSHKZEHTWYSQQF-NSHDSACASA-N 0 0 307.325 0.116 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000194891714 261149554 /nfs/dbraw/zinc/14/95/54/261149554.db2.gz XZHPMDPZAKZAJY-KBPBESRZSA-N 0 0 323.441 0.848 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCC(C)(O)CC1 ZINC000234568157 261155207 /nfs/dbraw/zinc/15/52/07/261155207.db2.gz JSBNZFHJZOVCKL-QWRGUYRKSA-N 0 0 305.396 0.505 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000244179032 261165819 /nfs/dbraw/zinc/16/58/19/261165819.db2.gz VHZZSNRDBKGQGH-UHFFFAOYSA-N 0 0 315.373 0.883 10 0 DCAERN CC(=O)c1cn(CC(=O)[C@@H]2Cc3ccccc32)c(=O)n(C)c1=O ZINC000356064105 261387714 /nfs/dbraw/zinc/38/77/14/261387714.db2.gz UXFNPRGLIJSVPS-CYBMUJFWSA-N 0 0 312.325 0.659 10 0 DCAERN O=C([C@@H](O)Cc1ccccc1Cl)N1CC(n2ccnn2)C1 ZINC000357757895 261581994 /nfs/dbraw/zinc/58/19/94/261581994.db2.gz YCALWHUWDVREQG-ZDUSSCGKSA-N 0 0 306.753 0.918 10 0 DCAERN COc1ccc(CNC(=O)NCc2ccn(C)n2)c(OC)n1 ZINC000357896916 261598554 /nfs/dbraw/zinc/59/85/54/261598554.db2.gz UQNXWEOPPSWNKH-UHFFFAOYSA-N 0 0 305.338 0.832 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)[C@@H](C)OC ZINC000358129746 261637458 /nfs/dbraw/zinc/63/74/58/261637458.db2.gz UFAGWZOZRIZOOJ-VPOLOUISSA-N 0 0 317.386 0.165 10 0 DCAERN CCc1nocc1CN(C)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000358408699 261664817 /nfs/dbraw/zinc/66/48/17/261664817.db2.gz GWDNKMCOTITONV-MRXNPFEDSA-N 0 0 319.361 0.808 10 0 DCAERN NC(=O)COc1cccc(CNC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358821537 261702743 /nfs/dbraw/zinc/70/27/43/261702743.db2.gz ABJWKQYKLOJUHS-CYBMUJFWSA-N 0 0 321.377 0.368 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)N[C@@H]1CC[S@](=O)C1)c2O ZINC000359445379 261745894 /nfs/dbraw/zinc/74/58/94/261745894.db2.gz XAFXNKZUAILGPP-CLTRCRFRSA-N 0 0 320.370 0.788 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)nc1 ZINC000360313683 261822749 /nfs/dbraw/zinc/82/27/49/261822749.db2.gz BVDVJBGTSAHUQG-AWEZNQCLSA-N 0 0 319.361 0.600 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1=O)C(=O)NCc1ccco1 ZINC000360418220 261829674 /nfs/dbraw/zinc/82/96/74/261829674.db2.gz XPQNIGHGPZKWIM-ZYHUDNBSSA-N 0 0 322.365 0.204 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360698601 261864060 /nfs/dbraw/zinc/86/40/60/261864060.db2.gz DSLUIJGABJQUGX-LBPRGKRZSA-N 0 0 322.390 0.891 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000361788236 261961605 /nfs/dbraw/zinc/96/16/05/261961605.db2.gz QWBLEPAAMUSZPJ-JFGNBEQYSA-N 0 0 304.412 0.277 10 0 DCAERN CC(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000362229045 262012627 /nfs/dbraw/zinc/01/26/27/262012627.db2.gz BDJTZTOLLCQFOR-GDLCADMTSA-N 0 0 307.394 0.370 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000362419648 262032862 /nfs/dbraw/zinc/03/28/62/262032862.db2.gz CUSZPOUWXATURK-JLZZUVOBSA-N 0 0 319.357 0.767 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C)n1 ZINC000362462361 262037481 /nfs/dbraw/zinc/03/74/81/262037481.db2.gz BSQWKSUHTLRLLE-WDEREUQCSA-N 0 0 322.365 0.968 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1nccs1 ZINC000362477726 262039243 /nfs/dbraw/zinc/03/92/43/262039243.db2.gz XJMZYRLVVHAIJQ-HTQZYQBOSA-N 0 0 314.367 0.721 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1nccs1 ZINC000362477727 262039718 /nfs/dbraw/zinc/03/97/18/262039718.db2.gz XJMZYRLVVHAIJQ-JGVFFNPUSA-N 0 0 314.367 0.721 10 0 DCAERN COC(=O)[C@@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)C1CC1 ZINC000362674722 262059127 /nfs/dbraw/zinc/05/91/27/262059127.db2.gz XLYWYLRDTGUVGW-NSHDSACASA-N 0 0 307.350 0.889 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000362860898 262082274 /nfs/dbraw/zinc/08/22/74/262082274.db2.gz WWGFKJZTIPMWPR-OLZOCXBDSA-N 0 0 322.413 0.414 10 0 DCAERN C[C@](O)(C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CCC1 ZINC000362873778 262083139 /nfs/dbraw/zinc/08/31/39/262083139.db2.gz IULSQSFNBRYNDO-CZUORRHYSA-N 0 0 310.394 0.434 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000363739517 262129202 /nfs/dbraw/zinc/12/92/02/262129202.db2.gz KZPNCIBOZPRQJM-HZSPNIEDSA-N 0 0 314.451 0.610 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c(C)c1 ZINC000363797590 262131390 /nfs/dbraw/zinc/13/13/90/262131390.db2.gz VILANZCOKDWFLJ-CQSZACIVSA-N 0 0 317.389 0.785 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363859210 262134887 /nfs/dbraw/zinc/13/48/87/262134887.db2.gz FGYOOYJQJOJXAM-SNVBAGLBSA-N 0 0 313.448 0.826 10 0 DCAERN C[C@@H]1CC[C@H](CN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)O1 ZINC000367523792 262142247 /nfs/dbraw/zinc/14/22/47/262142247.db2.gz PIECTBIRNAULSK-MRVWCRGKSA-N 0 0 313.423 0.759 10 0 DCAERN COc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1O ZINC000391340998 262160505 /nfs/dbraw/zinc/16/05/05/262160505.db2.gz CUCGQDDYZGFZLK-OAHLLOKOSA-N 0 0 319.317 0.215 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000392978477 262160874 /nfs/dbraw/zinc/16/08/74/262160874.db2.gz YVVIGPHRMAXTIK-XPUUQOCRSA-N 0 0 306.775 0.019 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412103213 262182622 /nfs/dbraw/zinc/18/26/22/262182622.db2.gz YNZPENXUBJWFGW-SWLSCSKDSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H](CO)c2cnn(C)c2)cc1 ZINC000426987571 262560112 /nfs/dbraw/zinc/56/01/12/262560112.db2.gz UIUXHBUJGLBTNE-OAHLLOKOSA-N 0 0 316.361 0.866 10 0 DCAERN CC(C)C[C@H](C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000184690460 270953175 /nfs/dbraw/zinc/95/31/75/270953175.db2.gz IVBNVZOEDONIQE-RYUDHWBXSA-N 0 0 318.439 0.478 10 0 DCAERN COc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](OC)C2)n1 ZINC000357056431 271039601 /nfs/dbraw/zinc/03/96/01/271039601.db2.gz OAQRVMDYTCKLRY-PWSUYJOCSA-N 0 0 307.350 0.390 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000358385571 271050466 /nfs/dbraw/zinc/05/04/66/271050466.db2.gz DRSNJEMRMIAEIF-VXGBXAGGSA-N 0 0 312.414 0.999 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C ZINC000358885760 271078806 /nfs/dbraw/zinc/07/88/06/271078806.db2.gz JTRBGHAXZFBVNC-ZDUSSCGKSA-N 0 0 319.354 0.727 10 0 DCAERN COCc1nc(C(=O)N2CCN(c3ccnc(C)n3)CC2)no1 ZINC000359215048 271104883 /nfs/dbraw/zinc/10/48/83/271104883.db2.gz PUKKMXIMYIVUFO-UHFFFAOYSA-N 0 0 318.337 0.277 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)n1 ZINC000359223469 271106339 /nfs/dbraw/zinc/10/63/39/271106339.db2.gz DJSGLBKAWMAXJE-CHWSQXEVSA-N 0 0 321.377 0.433 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359611382 271132206 /nfs/dbraw/zinc/13/22/06/271132206.db2.gz PFMGRJOSIJMRDT-IUODEOHRSA-N 0 0 311.426 0.470 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359611381 271132716 /nfs/dbraw/zinc/13/27/16/271132716.db2.gz PFMGRJOSIJMRDT-DOMZBBRYSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC2CC2)CCCO1 ZINC000360919041 271165052 /nfs/dbraw/zinc/16/50/52/271165052.db2.gz OOAPCPFBAZXZED-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN CCOC(=O)CC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361008175 271169090 /nfs/dbraw/zinc/16/90/90/271169090.db2.gz KITZUSJEOFMIKR-UHFFFAOYSA-N 0 0 307.350 0.488 10 0 DCAERN CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N(C)Cc1nnnn1C ZINC000361277101 271177209 /nfs/dbraw/zinc/17/72/09/271177209.db2.gz UBDUUBFZZORMHI-WDEREUQCSA-N 0 0 310.402 0.945 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)N[C@@H]3CCN(C)C3=O)CC2)n1 ZINC000363773704 271205067 /nfs/dbraw/zinc/20/50/67/271205067.db2.gz CKTLLJRBQKSDCR-CYBMUJFWSA-N 0 0 317.393 0.905 10 0 DCAERN CCCCOC[C@@H](O)CN1CCN(Cc2nc(C)no2)CC1 ZINC000434473802 271529980 /nfs/dbraw/zinc/52/99/80/271529980.db2.gz IIEYDHVOIJCXLL-AWEZNQCLSA-N 0 0 312.414 0.673 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N1CCNC(=O)CC1 ZINC000439587242 271642705 /nfs/dbraw/zinc/64/27/05/271642705.db2.gz NNKVRARGCWWYBE-UHFFFAOYSA-N 0 0 317.345 0.299 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CCCO ZINC000443352256 271708785 /nfs/dbraw/zinc/70/87/85/271708785.db2.gz NXIYGMVZORYVBF-UHFFFAOYSA-N 0 0 307.350 0.449 10 0 DCAERN CC(=O)c1c(C)cccc1NC(=O)CN1CCS(=O)(=O)CC1 ZINC000446315592 271757441 /nfs/dbraw/zinc/75/74/41/271757441.db2.gz LEEQBQNMGILMSY-UHFFFAOYSA-N 0 0 324.402 0.867 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000447771965 271801175 /nfs/dbraw/zinc/80/11/75/271801175.db2.gz GLGBONHPADRNHQ-BXUZGUMPSA-N 0 0 320.455 0.714 10 0 DCAERN COc1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cn1 ZINC000447904487 271805646 /nfs/dbraw/zinc/80/56/46/271805646.db2.gz QIEPIVCYOOMEIE-HNNXBMFYSA-N 0 0 303.318 0.642 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2c(C)nnn2CC)CC12COC2 ZINC000449356946 271851243 /nfs/dbraw/zinc/85/12/43/271851243.db2.gz CYMZWZVHRCGORJ-LBPRGKRZSA-N 0 0 308.382 0.618 10 0 DCAERN CC(=O)c1cn(CC(=O)NC[C@](C)(O)C2CCCCC2)nn1 ZINC000451127410 271889664 /nfs/dbraw/zinc/88/96/64/271889664.db2.gz GYVQHIXCQJPJFK-HNNXBMFYSA-N 0 0 308.382 0.928 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)cc2)CC12COC2 ZINC000452227844 271911628 /nfs/dbraw/zinc/91/16/28/271911628.db2.gz MDXUAZSVPFOHKD-AWEZNQCLSA-N 0 0 319.357 0.973 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2C)CC12COC2 ZINC000452227985 271911897 /nfs/dbraw/zinc/91/18/97/271911897.db2.gz MXHJQUCXZABYJR-CYBMUJFWSA-N 0 0 322.361 0.872 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CC)O2)CC12COC2 ZINC000452266468 271913443 /nfs/dbraw/zinc/91/34/43/271913443.db2.gz SMDSRVNKSVQLKK-AVGNSLFASA-N 0 0 311.378 0.982 10 0 DCAERN O=C(COCc1cccc(Cl)c1)NC[C@H](O)Cn1ccnn1 ZINC000458129797 271943805 /nfs/dbraw/zinc/94/38/05/271943805.db2.gz LOQFBAHMKJIHKN-ZDUSSCGKSA-N 0 0 324.768 0.625 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)CC(C)(C)O)C1 ZINC000458555216 271963616 /nfs/dbraw/zinc/96/36/16/271963616.db2.gz YTYAAVBUDUBOCH-QWRGUYRKSA-N 0 0 300.403 0.639 10 0 DCAERN CCOc1cccc(CCNC(=O)N2C[C@@H](O)[C@H](CO)C2)c1 ZINC000458562736 271963754 /nfs/dbraw/zinc/96/37/54/271963754.db2.gz DEFLGOVYKZIBLG-DZGCQCFKSA-N 0 0 308.378 0.622 10 0 DCAERN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@H](O)[C@@H](CO)C1 ZINC000459681647 272003054 /nfs/dbraw/zinc/00/30/54/272003054.db2.gz QWCUTOVFJVTRMK-WLTAIBSBSA-N 0 0 317.744 0.978 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cncs1 ZINC000487114038 272037871 /nfs/dbraw/zinc/03/78/71/272037871.db2.gz HCTUDTWEGSXKJF-DTWKUNHWSA-N 0 0 313.379 0.258 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCCS1 ZINC000487152933 272038532 /nfs/dbraw/zinc/03/85/32/272038532.db2.gz LECCZCVNQZEMRU-VWYCJHECSA-N 0 0 316.423 0.845 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(OC)c1 ZINC000487162416 272038758 /nfs/dbraw/zinc/03/87/58/272038758.db2.gz VFIAXERHZDHMPA-QWRGUYRKSA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(OC)c1 ZINC000487162414 272038867 /nfs/dbraw/zinc/03/88/67/272038867.db2.gz VFIAXERHZDHMPA-GHMZBOCLSA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2C)o1 ZINC000487384246 272040591 /nfs/dbraw/zinc/04/05/91/272040591.db2.gz ZCVNHUIBWAETJH-UWVGGRQHSA-N 0 0 317.363 0.848 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnns1 ZINC000488719156 272048985 /nfs/dbraw/zinc/04/89/85/272048985.db2.gz YYYXWTMERIJDFR-RNFRBKRXSA-N 0 0 315.355 0.116 10 0 DCAERN CNC(=O)c1ccc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)cn1 ZINC000488974738 272054188 /nfs/dbraw/zinc/05/41/88/272054188.db2.gz IZUQLYVNYHNXAG-SECBINFHSA-N 0 0 301.350 0.834 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)c3ccncn3)CC2)n1 ZINC000488970656 272054283 /nfs/dbraw/zinc/05/42/83/272054283.db2.gz FUQXOGZHEDLHSR-UHFFFAOYSA-N 0 0 313.365 0.295 10 0 DCAERN COCCCNC(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000490809765 272081962 /nfs/dbraw/zinc/08/19/62/272081962.db2.gz HPZSNZLQJPLEQQ-UHFFFAOYSA-N 0 0 301.387 0.302 10 0 DCAERN O=C(/C=C\c1cncc(O)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000492736049 272146709 /nfs/dbraw/zinc/14/67/09/272146709.db2.gz APWZFBXNBHVNFM-PLNGDYQASA-N 0 0 301.346 0.928 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](CO)[C@@H]1C)CC2 ZINC000495194107 272241075 /nfs/dbraw/zinc/24/10/75/272241075.db2.gz RAAJERVZPGSWOM-SDDRHHMPSA-N 0 0 307.398 0.568 10 0 DCAERN O=C(NCc1nnc2ccccn21)C1(C(=O)NC2CC2)CCC1 ZINC000520497828 272520519 /nfs/dbraw/zinc/52/05/19/272520519.db2.gz GYWCNNNFYSYLFD-UHFFFAOYSA-N 0 0 313.361 0.794 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)CCOC2CCOCC2)C1 ZINC000531610243 272765801 /nfs/dbraw/zinc/76/58/01/272765801.db2.gz GYORUQUTRJHWBC-GFCCVEGCSA-N 0 0 313.398 0.492 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000532063531 272777137 /nfs/dbraw/zinc/77/71/37/272777137.db2.gz HWQLFQNTSKWBCG-OLZOCXBDSA-N 0 0 300.366 0.983 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@H]1C ZINC000408183899 274028536 /nfs/dbraw/zinc/02/85/36/274028536.db2.gz URUHLLYUKLMQSC-YPMHNXCESA-N 0 0 315.439 0.087 10 0 DCAERN OC[C@@H]1CN(Cc2ccc(Br)cn2)C[C@H]1CO ZINC000528601846 287722303 /nfs/dbraw/zinc/72/23/03/287722303.db2.gz DEZDADXSMRCMEW-UWVGGRQHSA-N 0 0 301.184 0.877 10 0 DCAERN CC(=O)[C@@H]1CC(C(=O)NCC2COC2)=NN1c1ccccc1 ZINC000530114927 287743921 /nfs/dbraw/zinc/74/39/21/287743921.db2.gz IJXQOCZBGQPSMB-HNNXBMFYSA-N 0 0 301.346 0.973 10 0 DCAERN NCc1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cs1 ZINC000238028844 274953892 /nfs/dbraw/zinc/95/38/92/274953892.db2.gz YLFCYVCZODSMKB-GFCCVEGCSA-N 0 0 316.386 0.654 10 0 DCAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186940898 274989621 /nfs/dbraw/zinc/98/96/21/274989621.db2.gz YIFMRNSFOFPCHX-DOMZBBRYSA-N 0 0 322.324 0.706 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000172743696 276202210 /nfs/dbraw/zinc/20/22/10/276202210.db2.gz GWIGBKLCYSSDBH-LSDHHAIUSA-N 0 0 323.437 0.568 10 0 DCAERN CCC(CC)[C@@H](CNC(=O)[C@@H]1COCCN1)N1CCOCC1 ZINC000236665513 276212212 /nfs/dbraw/zinc/21/22/12/276212212.db2.gz QDTNGXYUAKIFAJ-LSDHHAIUSA-N 0 0 313.442 0.228 10 0 DCAERN CC(C)CN1C[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000541755075 287925752 /nfs/dbraw/zinc/92/57/52/287925752.db2.gz IDIVQIOXJFVZDX-KGLIPLIRSA-N 0 0 309.410 0.034 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000081067409 277169988 /nfs/dbraw/zinc/16/99/88/277169988.db2.gz RBWAPVSARJVMDD-NSHDSACASA-N 0 0 311.304 0.610 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000247076055 277236247 /nfs/dbraw/zinc/23/62/47/277236247.db2.gz GSZSVFUIHDJNFK-GFCCVEGCSA-N 0 0 320.397 0.141 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408178148 277951067 /nfs/dbraw/zinc/95/10/67/277951067.db2.gz OZAZCCNBUDDVKL-FRRDWIJNSA-N 0 0 320.411 0.020 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000328943799 278007286 /nfs/dbraw/zinc/00/72/86/278007286.db2.gz ANJFNKALHBDJLU-ZIAGYGMSSA-N 0 0 320.393 0.937 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000048671739 278179292 /nfs/dbraw/zinc/17/92/92/278179292.db2.gz ACKQSIMWIQDTJY-AAEUAGOBSA-N 0 0 303.428 0.706 10 0 DCAERN C[C@@H](C(N)=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865568 278217673 /nfs/dbraw/zinc/21/76/73/278217673.db2.gz UUVXVHSOVHZZKK-AWEZNQCLSA-N 0 0 313.405 0.864 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000546696432 288026554 /nfs/dbraw/zinc/02/65/54/288026554.db2.gz YQEPEVPUTGRHLL-UBHSHLNASA-N 0 0 306.362 0.007 10 0 DCAERN CC(C)(C)C(=O)O[C@@H]1C(=O)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12 ZINC000044963723 278295014 /nfs/dbraw/zinc/29/50/14/278295014.db2.gz GAEJYJBXEWYVOB-HTFKAIDBSA-N 0 0 300.307 0.746 10 0 in-vitro DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC(=O)N1C ZINC000282431654 288037374 /nfs/dbraw/zinc/03/73/74/288037374.db2.gz RAJICWVCTDZTSI-SNVBAGLBSA-N 0 0 301.346 0.874 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000547438940 288045770 /nfs/dbraw/zinc/04/57/70/288045770.db2.gz WTABSHOMTPQKFQ-ZYHUDNBSSA-N 0 0 316.427 0.251 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000547438652 288045781 /nfs/dbraw/zinc/04/57/81/288045781.db2.gz GHILJPVXHPFPBW-NXEZZACHSA-N 0 0 315.361 0.942 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000163570240 278632657 /nfs/dbraw/zinc/63/26/57/278632657.db2.gz PPJCADGIGPWGSK-WDEREUQCSA-N 0 0 304.412 0.342 10 0 DCAERN O=C(N[C@H]1CCn2ccnc2C1)N1CCSC[C@H]1CCO ZINC000547680007 288067998 /nfs/dbraw/zinc/06/79/98/288067998.db2.gz UNUSYCPVBJKDEW-NWDGAFQWSA-N 0 0 310.423 0.707 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408243573 278932379 /nfs/dbraw/zinc/93/23/79/278932379.db2.gz ANHDKBUGSYAXKF-CQSZACIVSA-N 0 0 316.423 0.186 10 0 DCAERN CC[C@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000122371404 288111957 /nfs/dbraw/zinc/11/19/57/288111957.db2.gz RZXHTLKPGGOTDS-LSDHHAIUSA-N 0 0 309.385 0.741 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCSC[C@H]1CCO ZINC000548136126 288115304 /nfs/dbraw/zinc/11/53/04/288115304.db2.gz UYUJGJAHQHESHO-MNOVXSKESA-N 0 0 307.437 0.280 10 0 DCAERN Cn1cnnc1NC(=O)CN1C(=O)CSc2ccccc21 ZINC000159104275 279393452 /nfs/dbraw/zinc/39/34/52/279393452.db2.gz DYWCNVOQZJRMPH-UHFFFAOYSA-N 0 0 303.347 0.893 10 0 DCAERN Cn1nc2c(cc1=O)CN(Cc1nnnn1C(C)(C)C)CC2 ZINC000408247702 279399723 /nfs/dbraw/zinc/39/97/23/279399723.db2.gz PTPVLJJZLAPIRG-UHFFFAOYSA-N 0 0 303.370 0.080 10 0 DCAERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC000548354531 288134768 /nfs/dbraw/zinc/13/47/68/288134768.db2.gz SXJDMDZGSQMGBO-QWRGUYRKSA-N 0 0 322.344 0.752 10 0 DCAERN CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cn1)C(C)C ZINC000548756981 288173588 /nfs/dbraw/zinc/17/35/88/288173588.db2.gz BUDNCWXVJIRPES-ZDUSSCGKSA-N 0 0 306.366 0.883 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000548715099 288169834 /nfs/dbraw/zinc/16/98/34/288169834.db2.gz RELYVPTZGSBEII-QGZVFWFLSA-N 0 0 319.405 0.296 10 0 DCAERN Cn1cnn(CC(=O)NCc2ccncc2C(F)(F)F)c1=O ZINC000548723812 288170952 /nfs/dbraw/zinc/17/09/52/288170952.db2.gz RUBRFJPKVGFHSR-UHFFFAOYSA-N 0 0 315.255 0.312 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000548831647 288180544 /nfs/dbraw/zinc/18/05/44/288180544.db2.gz SQQRQCHXTOOVRI-LLVKDONJSA-N 0 0 308.386 0.701 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@H](N3CCCC3=O)C2)cn1 ZINC000548870301 288183251 /nfs/dbraw/zinc/18/32/51/288183251.db2.gz BOOJSMCSDPGCRA-LBPRGKRZSA-N 0 0 306.366 0.412 10 0 DCAERN O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186940854 280000506 /nfs/dbraw/zinc/00/05/06/280000506.db2.gz YIFMRNSFOFPCHX-SWLSCSKDSA-N 0 0 322.324 0.706 10 0 DCAERN Cc1noc(CN2CCN(c3nnc(CC4CC4)n3C)CC2)n1 ZINC000548930388 288187878 /nfs/dbraw/zinc/18/78/78/288187878.db2.gz QCFAMSCFEKFDON-UHFFFAOYSA-N 0 0 317.397 0.781 10 0 DCAERN O=C(N[C@H](CO)CC1CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000549110270 288192437 /nfs/dbraw/zinc/19/24/37/288192437.db2.gz FPAXBVWULRTTAG-OLZOCXBDSA-N 0 0 307.398 0.833 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCC1(O)CCOCC1 ZINC000549589028 288200404 /nfs/dbraw/zinc/20/04/04/288200404.db2.gz FXYVHCGZPALXRC-LBPRGKRZSA-N 0 0 308.382 0.638 10 0 DCAERN CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551162074 288223756 /nfs/dbraw/zinc/22/37/56/288223756.db2.gz MVNLGWZTOVWGQX-SECBINFHSA-N 0 0 309.391 0.900 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408076254 280362927 /nfs/dbraw/zinc/36/29/27/280362927.db2.gz FZTCZIWAWFKZCD-NEPJUHHUSA-N 0 0 303.428 0.420 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)C[C@H](C)O1 ZINC000188044582 288231260 /nfs/dbraw/zinc/23/12/60/288231260.db2.gz ZQBVGUCDIXQGLW-PHIMTYICSA-N 0 0 306.428 0.576 10 0 DCAERN NC(=O)C1(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CCC1 ZINC000551905485 288242983 /nfs/dbraw/zinc/24/29/83/288242983.db2.gz UETOJYRRGMKOGS-SNVBAGLBSA-N 0 0 304.350 0.919 10 0 DCAERN Cc1cc(N2CC[C@H](Sc3nc(N)cc(N)n3)C2=O)n(C)n1 ZINC000174081965 280577244 /nfs/dbraw/zinc/57/72/44/280577244.db2.gz CMDPZTWEBOECOS-QMMMGPOBSA-N 0 0 319.394 0.581 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)C1 ZINC000552352726 288273432 /nfs/dbraw/zinc/27/34/32/288273432.db2.gz RHJKGMIMBMXNQX-BPLDGKMQSA-N 0 0 312.410 0.945 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CCC[C@]1(C)CO)c1ccccc1 ZINC000552887220 288281709 /nfs/dbraw/zinc/28/17/09/288281709.db2.gz LBNOQYPMKILIGU-WMLDXEAASA-N 0 0 320.389 0.864 10 0 DCAERN COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553081391 288286253 /nfs/dbraw/zinc/28/62/53/288286253.db2.gz OQOIBOYATICFIK-NSHDSACASA-N 0 0 320.349 0.441 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CC2CCC2)CCN1C[C@@H](C)O ZINC000408088305 281172331 /nfs/dbraw/zinc/17/23/31/281172331.db2.gz ITZHGIMCAGXGNY-OCCSQVGLSA-N 0 0 304.456 0.893 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1=O ZINC000113898367 281391765 /nfs/dbraw/zinc/39/17/65/281391765.db2.gz DNEXOAAUYBJWGM-LLVKDONJSA-N 0 0 319.365 0.794 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ncn(C)n1 ZINC000554733504 288336566 /nfs/dbraw/zinc/33/65/66/288336566.db2.gz HKBZGEIBCILNJX-MWLCHTKSSA-N 0 0 303.370 0.986 10 0 DCAERN Cc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1Cc1ccccc1 ZINC000555175941 288345298 /nfs/dbraw/zinc/34/52/98/288345298.db2.gz WGDHZEITCPRAQA-AWEZNQCLSA-N 0 0 312.377 0.849 10 0 DCAERN CC(C)Oc1ccc(CCNC(=O)C(=O)N(C)CCCO)cc1 ZINC000556015307 288367879 /nfs/dbraw/zinc/36/78/79/288367879.db2.gz QDNYSCSPNOSNCK-UHFFFAOYSA-N 0 0 322.405 0.973 10 0 DCAERN COC(=O)C1(NC[C@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000556759145 288391630 /nfs/dbraw/zinc/39/16/30/288391630.db2.gz GHIBIRLOAWIQCI-QWHCGFSZSA-N 0 0 301.383 0.618 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000558675609 288454797 /nfs/dbraw/zinc/45/47/97/288454797.db2.gz KNVHKWUTRNEJBB-MRXNPFEDSA-N 0 0 312.377 0.984 10 0 DCAERN CC(C)(C)[C@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000562454740 288577533 /nfs/dbraw/zinc/57/75/33/288577533.db2.gz PRGQGAOZEIVLTC-NSHDSACASA-N 0 0 304.350 0.796 10 0 DCAERN CCOCc1nnc(N2CCNC(=O)C2)n1Cc1ccccc1 ZINC000563470632 288679251 /nfs/dbraw/zinc/67/92/51/288679251.db2.gz CSQSNQULXKYQBD-UHFFFAOYSA-N 0 0 315.377 0.799 10 0 DCAERN CS(=O)(=O)NCCC(=O)NCc1ccnc(OC(F)F)c1 ZINC000563982506 288720837 /nfs/dbraw/zinc/72/08/37/288720837.db2.gz SYUGJQNWOWRIEG-UHFFFAOYSA-N 0 0 323.321 0.239 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000173861024 288935806 /nfs/dbraw/zinc/93/58/06/288935806.db2.gz SPGWGPGXGHYPJV-SECBINFHSA-N 0 0 310.379 0.551 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)O1 ZINC000329260473 289025267 /nfs/dbraw/zinc/02/52/67/289025267.db2.gz AWLINVGBLHJQHZ-OEUWWYETSA-N 0 0 322.405 0.792 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000329588814 289047318 /nfs/dbraw/zinc/04/73/18/289047318.db2.gz SKGOMNIVKXOCPK-XJKCOSOUSA-N 0 0 318.421 0.836 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000408186515 289231628 /nfs/dbraw/zinc/23/16/28/289231628.db2.gz UUZHUAHMNRQNMK-UHFFFAOYSA-N 0 0 303.409 0.852 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](O)C2)[C@@H]1c1cccnc1 ZINC000246918202 289831330 /nfs/dbraw/zinc/83/13/30/289831330.db2.gz IEMRNDNSRMPDKT-IPYPFGDCSA-N 0 0 303.362 0.584 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC000284528820 290114000 /nfs/dbraw/zinc/11/40/00/290114000.db2.gz CIIBXGQHPYMAHN-RYUDHWBXSA-N 0 0 301.350 0.274 10 0 DCAERN COCn1nccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408420849 293348109 /nfs/dbraw/zinc/34/81/09/293348109.db2.gz AWRIIFZDPWWQJS-VXGBXAGGSA-N 0 0 315.395 0.819 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC000328679234 293384890 /nfs/dbraw/zinc/38/48/90/293384890.db2.gz MVOCVDGAZLQWNF-SNVBAGLBSA-N 0 0 318.337 0.280 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)[C@H](C)CO1 ZINC000188037468 297044030 /nfs/dbraw/zinc/04/40/30/297044030.db2.gz WGUIHBXMTLOYTH-GHMZBOCLSA-N 0 0 306.428 0.576 10 0 DCAERN Cc1oc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1S(N)(=O)=O ZINC000408189333 294030427 /nfs/dbraw/zinc/03/04/27/294030427.db2.gz WNKDJCYKRBRQGM-IVZWLZJFSA-N 0 0 314.363 0.078 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000249439061 294285494 /nfs/dbraw/zinc/28/54/94/294285494.db2.gz FJVMENNLHMFYEB-KGLIPLIRSA-N 0 0 320.455 0.538 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000373326630 294389095 /nfs/dbraw/zinc/38/90/95/294389095.db2.gz UOWLNGBKWMBFEZ-OCCSQVGLSA-N 0 0 305.378 0.793 10 0 DCAERN CO[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408344847 294543373 /nfs/dbraw/zinc/54/33/73/294543373.db2.gz BJNVXVJLPSUPQF-GUTXKFCHSA-N 0 0 320.393 0.577 10 0 DCAERN NC(=O)C[C@@H]1COCCN1C(=O)Cn1ncc2ccccc21 ZINC000457032580 295055245 /nfs/dbraw/zinc/05/52/45/295055245.db2.gz IRWCGZLCIKBWAB-GFCCVEGCSA-N 0 0 302.334 0.139 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)NCCCC1CCCCC1 ZINC000092229666 295159842 /nfs/dbraw/zinc/15/98/42/295159842.db2.gz BTUPRXXZCNUOLV-CQSZACIVSA-N 0 0 311.426 0.649 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2ccncc2Br)C1 ZINC000284719218 295167581 /nfs/dbraw/zinc/16/75/81/295167581.db2.gz UUHMFLWDTGRUAC-NSHDSACASA-N 0 0 300.156 0.661 10 0 DCAERN NCc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)no1 ZINC000262124575 295279771 /nfs/dbraw/zinc/27/97/71/295279771.db2.gz CJRJGMFTXCZJFP-GFCCVEGCSA-N 0 0 301.350 0.592 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000178342049 295483383 /nfs/dbraw/zinc/48/33/83/295483383.db2.gz SENKKULYLIMASQ-ZFWWWQNUSA-N 0 0 323.414 0.976 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2(CC(N)=O)CCC2)C1 ZINC000408437078 297231591 /nfs/dbraw/zinc/23/15/91/297231591.db2.gz OQJGKYIAQLSJLL-GHMZBOCLSA-N 0 0 303.428 0.597 10 0 DCAERN C[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)S(C)(=O)=O ZINC000366591144 298100141 /nfs/dbraw/zinc/10/01/41/298100141.db2.gz VQVWSKDAAOUUPV-ZWNOBZJWSA-N 0 0 305.396 0.216 10 0 DCAERN C[C@H](CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C)N1CCCCC1=O ZINC000188667395 298297993 /nfs/dbraw/zinc/29/79/93/298297993.db2.gz ZDLSGLLBWYOHCO-JHJVBQTASA-N 0 0 309.410 0.890 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248166650 298860595 /nfs/dbraw/zinc/86/05/95/298860595.db2.gz TWHXYGDVJAWDHS-DYEKYZERSA-N 0 0 318.439 0.756 10 0 DCAERN C[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCS1 ZINC000171687376 300240316 /nfs/dbraw/zinc/24/03/16/300240316.db2.gz VBNAQBFFVNIYHZ-ZDUSSCGKSA-N 0 0 315.483 0.651 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 ZINC000173764756 301253830 /nfs/dbraw/zinc/25/38/30/301253830.db2.gz JKPSQPNPWRDPSM-LLVKDONJSA-N 0 0 319.369 0.379 10 0 DCAERN Cc1ccn2ncc(C(=O)N(CCS(C)(=O)=O)C(C)C)c2n1 ZINC000156819321 302263115 /nfs/dbraw/zinc/26/31/15/302263115.db2.gz CULVHOSFEYVOBJ-UHFFFAOYSA-N 0 0 324.406 0.933 10 0 DCAERN Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000158969447 302846265 /nfs/dbraw/zinc/84/62/65/302846265.db2.gz BSNJNMFCISJSKI-LNLATYFQSA-N 0 0 309.366 0.886 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000408360766 302974733 /nfs/dbraw/zinc/97/47/33/302974733.db2.gz YVBHJULRZUYFEB-LQKXBSAESA-N 0 0 320.389 0.977 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)C2(O)CCSCC2)CCN1C ZINC000372520381 303006693 /nfs/dbraw/zinc/00/66/93/303006693.db2.gz GDFXQRNHYAIGFD-GFCCVEGCSA-N 0 0 324.450 0.493 10 0 DCAERN Cn1nccc1S(=O)(=O)[N-]C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408485484 303068845 /nfs/dbraw/zinc/06/88/45/303068845.db2.gz QKHBQTAMEZHFKF-LBPRGKRZSA-N 0 0 312.395 0.099 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000402595811 1159120138 /nfs/dbraw/zinc/12/01/38/1159120138.db2.gz OGWJNDLGNREZDI-GFCCVEGCSA-N 0 0 320.798 0.897 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000332877649 332892771 /nfs/dbraw/zinc/89/27/71/332892771.db2.gz DPUOIBLZVIAIGH-GHMZBOCLSA-N 0 0 307.398 0.965 10 0 DCAERN O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc2n[nH]nc2n1 ZINC000580127180 332950438 /nfs/dbraw/zinc/95/04/38/332950438.db2.gz ZWQBYJLBFSKMIW-ZETCQYMHSA-N 0 0 314.271 0.719 10 0 DCAERN NC(=O)c1coc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188034575 333017141 /nfs/dbraw/zinc/01/71/41/333017141.db2.gz VSGPIUKGPAQTSF-UHFFFAOYSA-N 0 0 320.349 0.189 10 0 DCAERN C[C@H]1CN(C(=O)Nc2nc3ccccn3n2)CCN1CCO ZINC000189318078 333072578 /nfs/dbraw/zinc/07/25/78/333072578.db2.gz GJUCCKQXZZPKNT-NSHDSACASA-N 0 0 304.354 0.260 10 0 DCAERN O=C(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)NC1CC1 ZINC000170961568 333238686 /nfs/dbraw/zinc/23/86/86/333238686.db2.gz HJYXXNFZLDEMNV-UHFFFAOYSA-N 0 0 314.345 0.712 10 0 DCAERN CC(C)CN1CCO[C@H](CNS(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000189987444 336258362 /nfs/dbraw/zinc/25/83/62/336258362.db2.gz UKGAHKDEDRSSAE-BFHYXJOUSA-N 0 0 320.455 0.440 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000190558243 336264047 /nfs/dbraw/zinc/26/40/47/336264047.db2.gz NNORVBKBFLOSQS-WDEREUQCSA-N 0 0 304.350 0.866 10 0 DCAERN CCN1CN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1=O ZINC000190494578 336264310 /nfs/dbraw/zinc/26/43/10/336264310.db2.gz WKRDUDJBWJXHAG-GFCCVEGCSA-N 0 0 303.362 0.843 10 0 DCAERN CC(=O)N1CC(C(=O)NCC(=O)C2CCC(F)(F)CC2)C1 ZINC000582482510 337096772 /nfs/dbraw/zinc/09/67/72/337096772.db2.gz FLWIMVJOYFPJJV-UHFFFAOYSA-N 0 0 302.321 0.976 10 0 DCAERN COc1cc(N[C@@H]2CCCN(c3ccnn3C)C2=O)ncn1 ZINC000582760273 337137187 /nfs/dbraw/zinc/13/71/87/337137187.db2.gz QCZAQAFTPLJIQR-SNVBAGLBSA-N 0 0 302.338 0.826 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)C1 ZINC000583853792 337343655 /nfs/dbraw/zinc/34/36/55/337343655.db2.gz WWQGPUVMQUKXIQ-WBVHZDCISA-N 0 0 320.364 0.791 10 0 DCAERN NS(=O)(=O)c1cccc(-c2ccc(F)nc2)c1-c1nn[nH]n1 ZINC000584597087 337374324 /nfs/dbraw/zinc/37/43/24/337374324.db2.gz YPOXOCQUNAZIHZ-UHFFFAOYSA-N 0 0 320.309 0.715 10 0 DCAERN Cc1cc(NC(=O)C(=O)NCCOCC2CCC2)cn(C)c1=O ZINC000583905724 337383977 /nfs/dbraw/zinc/38/39/77/337383977.db2.gz AKGNTAJCYJLKAC-UHFFFAOYSA-N 0 0 321.377 0.565 10 0 DCAERN NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cnc3ccccc3c2)C1 ZINC000575280322 341790965 /nfs/dbraw/zinc/79/09/65/341790965.db2.gz NDFAAAPPXJNFDH-LLVKDONJSA-N 0 0 320.374 0.666 10 0 DCAERN Cc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C)no1 ZINC000576650713 341857209 /nfs/dbraw/zinc/85/72/09/341857209.db2.gz QZZSRARTTIHTMI-UHFFFAOYSA-N 0 0 304.354 0.984 10 0 DCAERN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000580598467 341884214 /nfs/dbraw/zinc/88/42/14/341884214.db2.gz ZJWIDSHGWCQTKV-DVOMOZLQSA-N 0 0 310.394 0.699 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000185252268 533721572 /nfs/dbraw/zinc/72/15/72/533721572.db2.gz OQFNDTICWFDRGY-SNVBAGLBSA-N 0 0 308.367 0.803 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCc3ccccc32)CCN1CCO ZINC000187692207 533910423 /nfs/dbraw/zinc/91/04/23/533910423.db2.gz NCINJSNBQBBJCP-AWEZNQCLSA-N 0 0 303.406 0.574 10 0 DCAERN COC(=O)c1ccc(N2CCN([C@@H](C)C(N)=O)CC2)nc1C ZINC000301972695 534189718 /nfs/dbraw/zinc/18/97/18/534189718.db2.gz UHAFJWOZGGTKKL-NSHDSACASA-N 0 0 306.366 0.172 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000299447169 534353791 /nfs/dbraw/zinc/35/37/91/534353791.db2.gz RCBROBODIYVNNN-LBPRGKRZSA-N 0 0 306.366 0.072 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116904436 518656227 /nfs/dbraw/zinc/65/62/27/518656227.db2.gz WYYJSHQKWOSCGA-SNVBAGLBSA-N 0 0 312.457 0.376 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000155354190 518987332 /nfs/dbraw/zinc/98/73/32/518987332.db2.gz ZLAOOQZTQCYBGU-LADRHHBVSA-N 0 0 313.427 0.439 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)CCc1ccccn1 ZINC000038017403 519086126 /nfs/dbraw/zinc/08/61/26/519086126.db2.gz GJKZQHMISMCSHE-UHFFFAOYSA-N 0 0 300.380 0.839 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000299372811 534406570 /nfs/dbraw/zinc/40/65/70/534406570.db2.gz RVICMCDPVXTTLN-OAHLLOKOSA-N 0 0 316.405 0.573 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCCO2)c1 ZINC000266750961 519453252 /nfs/dbraw/zinc/45/32/52/519453252.db2.gz NNORTDOLRJUIQT-CQSZACIVSA-N 0 0 319.361 0.903 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000190500858 519648213 /nfs/dbraw/zinc/64/82/13/519648213.db2.gz MHFJOZCFOOIWST-CYBMUJFWSA-N 0 0 315.373 0.695 10 0 DCAERN CCN(C)S(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000124839389 520265770 /nfs/dbraw/zinc/26/57/70/520265770.db2.gz GELWEXGCHWAPGL-UHFFFAOYSA-N 0 0 300.306 0.725 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cocn2)C1 ZINC000191939451 521290059 /nfs/dbraw/zinc/29/00/59/521290059.db2.gz VZIBSBCUHYECST-LBPRGKRZSA-N 0 0 309.366 0.908 10 0 DCAERN CCC(CC)(NC(=O)CNC(=O)c1ccccc1C)C(N)=O ZINC000154348712 521465264 /nfs/dbraw/zinc/46/52/64/521465264.db2.gz TVHBZZKQOYVZQW-UHFFFAOYSA-N 0 0 305.378 0.885 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)NCCn1cc(C)cn1 ZINC000118075926 521651608 /nfs/dbraw/zinc/65/16/08/521651608.db2.gz XWQYHNZVDPANQT-NSHDSACASA-N 0 0 302.400 0.314 10 0 DCAERN CCCN(CCO)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000164406304 521662426 /nfs/dbraw/zinc/66/24/26/521662426.db2.gz OXTFMBVRUYFQSM-UHFFFAOYSA-N 0 0 317.349 0.641 10 0 DCAERN CNC(=O)c1ccc(N2CCN(Cc3ccco3)CC2)nn1 ZINC000266839292 521831713 /nfs/dbraw/zinc/83/17/13/521831713.db2.gz LHOHYEWOMSRAAJ-UHFFFAOYSA-N 0 0 301.350 0.751 10 0 DCAERN COCCn1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)n1 ZINC000187850119 522125979 /nfs/dbraw/zinc/12/59/79/522125979.db2.gz YXAZLXYKKYJNCX-NSHDSACASA-N 0 0 304.354 0.694 10 0 DCAERN CCc1nnc([C@@H]2CN(c3cc(Cl)nc(N)n3)CCO2)[nH]1 ZINC000131658149 522140579 /nfs/dbraw/zinc/14/05/79/522140579.db2.gz PGQJPYHLNWICOI-ZETCQYMHSA-N 0 0 309.761 0.971 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000188916856 522204004 /nfs/dbraw/zinc/20/40/04/522204004.db2.gz HKERIDLKPQJRCV-UHFFFAOYSA-N 0 0 322.390 0.460 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000267930350 522517003 /nfs/dbraw/zinc/51/70/03/522517003.db2.gz DNPDNDWMCWOPSM-NXEZZACHSA-N 0 0 306.370 0.205 10 0 DCAERN CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000189149478 522597330 /nfs/dbraw/zinc/59/73/30/522597330.db2.gz WWZXIVVMPBPWND-DZGCQCFKSA-N 0 0 317.389 0.832 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(F)cc2)C1 ZINC000188159910 522757574 /nfs/dbraw/zinc/75/75/74/522757574.db2.gz COWQFVIEKBNGIY-UHFFFAOYSA-N 0 0 309.341 0.525 10 0 DCAERN NS(=O)(=O)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000185516949 534697207 /nfs/dbraw/zinc/69/72/07/534697207.db2.gz GEPVSAGIWZYRKM-UHFFFAOYSA-N 0 0 307.322 0.712 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC000247489743 523463007 /nfs/dbraw/zinc/46/30/07/523463007.db2.gz LLMALFGOZQBTHG-ZYHUDNBSSA-N 0 0 312.391 0.974 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC)C3)CCO2)cn1 ZINC000191730332 523463165 /nfs/dbraw/zinc/46/31/65/523463165.db2.gz KXIPLEILXBHNNQ-JSGCOSHPSA-N 0 0 320.393 0.671 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000163505699 523542212 /nfs/dbraw/zinc/54/22/12/523542212.db2.gz VXCXYKPXSPEWPQ-SSDOTTSWSA-N 0 0 309.713 0.607 10 0 DCAERN COC(=O)[C@@H]1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C ZINC000249080325 523720559 /nfs/dbraw/zinc/72/05/59/523720559.db2.gz MKWOKGDCGVATQX-BNOWGMLFSA-N 0 0 320.393 0.656 10 0 DCAERN CO[C@@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC[C@@H]1C ZINC000188073947 523730449 /nfs/dbraw/zinc/73/04/49/523730449.db2.gz QCQKASXPZOYPHY-SWLSCSKDSA-N 0 0 320.389 0.934 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cnn(-c2ccccc2)n1 ZINC000158730102 523790639 /nfs/dbraw/zinc/79/06/39/523790639.db2.gz FTWJYOGQUMZNST-KBPBESRZSA-N 0 0 302.334 0.376 10 0 DCAERN COc1ccc(C)cc1[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC000161553276 523856622 /nfs/dbraw/zinc/85/66/22/523856622.db2.gz JVYIVBFRNNBLRX-LBPRGKRZSA-N 0 0 305.378 0.613 10 0 DCAERN CN1CCC[C@]2(CCN(c3cncc(OCCO)n3)C2)C1=O ZINC000372490815 523860707 /nfs/dbraw/zinc/86/07/07/523860707.db2.gz LOUXSDBSFPHQEH-OAHLLOKOSA-N 0 0 306.366 0.296 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2CO)CCC1=O ZINC000130700153 524011084 /nfs/dbraw/zinc/01/10/84/524011084.db2.gz LSHHDKZMPXCFIJ-ZFWWWQNUSA-N 0 0 317.389 0.909 10 0 DCAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCNC(=O)CC1 ZINC000128927971 524019334 /nfs/dbraw/zinc/01/93/34/524019334.db2.gz QEGXYMFNJMUIIE-UHFFFAOYSA-N 0 0 324.402 0.615 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)CCC1=O ZINC000187898263 524024567 /nfs/dbraw/zinc/02/45/67/524024567.db2.gz VULIBYBXOYVZLR-DGCLKSJQSA-N 0 0 302.334 0.312 10 0 DCAERN Cc1ccc(C)c(CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000128029108 524091308 /nfs/dbraw/zinc/09/13/08/524091308.db2.gz ZEMGKIUSEOFLKV-MRXNPFEDSA-N 0 0 306.406 0.655 10 0 DCAERN C[C@@H](CCO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189156548 524513266 /nfs/dbraw/zinc/51/32/66/524513266.db2.gz JNYKSKMTEQKNPP-SMDDNHRTSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC1=O ZINC000193979178 524662345 /nfs/dbraw/zinc/66/23/45/524662345.db2.gz DQTDADAYTQOONN-QMMMGPOBSA-N 0 0 309.347 0.456 10 0 DCAERN O=C(NCC1(CCO)CC1)Nc1cnn(-c2ncccn2)c1 ZINC000189025283 534807701 /nfs/dbraw/zinc/80/77/01/534807701.db2.gz JVMDZQSGFFVXPC-UHFFFAOYSA-N 0 0 302.338 0.946 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)n1 ZINC000267946913 524840776 /nfs/dbraw/zinc/84/07/76/524840776.db2.gz FLDBVRNVSOOZBE-OAHLLOKOSA-N 0 0 306.366 0.703 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H](C(N)=O)O1 ZINC000157544375 524851712 /nfs/dbraw/zinc/85/17/12/524851712.db2.gz WCFMRJFZCIJCLZ-PRHODGIISA-N 0 0 305.290 0.649 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)COc2ccccc2F)CCS1(=O)=O ZINC000247449513 524966118 /nfs/dbraw/zinc/96/61/18/524966118.db2.gz YUYJKZMEMIFHTQ-VXGBXAGGSA-N 0 0 317.382 0.684 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187977794 524984323 /nfs/dbraw/zinc/98/43/23/524984323.db2.gz BKFVNPANNJMEHZ-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000368206062 525233604 /nfs/dbraw/zinc/23/36/04/525233604.db2.gz ZMFBARLIGSXUGJ-FDYHWXHSSA-N 0 0 318.439 0.802 10 0 DCAERN C[S@](=O)Cc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189399890 525389355 /nfs/dbraw/zinc/38/93/55/525389355.db2.gz FHWXBXHDAAYUJA-QFIPXVFZSA-N 0 0 320.414 0.916 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000157399617 525491229 /nfs/dbraw/zinc/49/12/29/525491229.db2.gz SOHLBBUUDLNFGJ-DGCLKSJQSA-N 0 0 313.361 0.984 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116904251 525552353 /nfs/dbraw/zinc/55/23/53/525552353.db2.gz KVFKYKLZLKMIBX-NSHDSACASA-N 0 0 318.420 0.307 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccnc1 ZINC000246000107 526064066 /nfs/dbraw/zinc/06/40/66/526064066.db2.gz GDUIDKJJBJHSMO-UBHSHLNASA-N 0 0 305.378 0.937 10 0 DCAERN C[C@H](c1nnnn1C)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000189561620 526191133 /nfs/dbraw/zinc/19/11/33/526191133.db2.gz SEGDKOTZSUDZKQ-WOPDTQHZSA-N 0 0 307.354 0.689 10 0 DCAERN COc1cccc(O[C@H](C)CNC(=O)N2CCO[C@H](CO)C2)c1 ZINC000267531677 526240462 /nfs/dbraw/zinc/24/04/62/526240462.db2.gz AGIPAGLGLWUMDH-DOMZBBRYSA-N 0 0 324.377 0.865 10 0 DCAERN Cc1cnn(CCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000118081779 526262390 /nfs/dbraw/zinc/26/23/90/526262390.db2.gz OWJGVPUTSBYMEN-NEPJUHHUSA-N 0 0 316.427 0.655 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000127220689 526262630 /nfs/dbraw/zinc/26/26/30/526262630.db2.gz YDTVLAAWFZYDRA-LLVKDONJSA-N 0 0 300.384 0.020 10 0 DCAERN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CC(CO)C1 ZINC000184216839 526278939 /nfs/dbraw/zinc/27/89/39/526278939.db2.gz WCUBVTBTVNHCLV-UHFFFAOYSA-N 0 0 319.336 0.755 10 0 DCAERN Cc1csc([C@@H]2CN(CCN3C(=O)CCC3=O)CCO2)n1 ZINC000157080320 526423065 /nfs/dbraw/zinc/42/30/65/526423065.db2.gz ACWKNSVXSSYMBP-NSHDSACASA-N 0 0 309.391 0.974 10 0 DCAERN c1cc(N2CCO[C@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000364263588 526432614 /nfs/dbraw/zinc/43/26/14/526432614.db2.gz ZMDNMMFTNSSMED-OAHLLOKOSA-N 0 0 306.366 0.309 10 0 DCAERN O=C(c1cc(N2CCOCC2)ccn1)N1CCN(C2CC2)CC1 ZINC000189318953 526625111 /nfs/dbraw/zinc/62/51/11/526625111.db2.gz ILRUVXSLIGYEBD-UHFFFAOYSA-N 0 0 316.405 0.838 10 0 DCAERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CCNC(=O)CC1 ZINC000126795708 526654467 /nfs/dbraw/zinc/65/44/67/526654467.db2.gz BCOCYHSATDVDPG-UHFFFAOYSA-N 0 0 318.358 0.987 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C(N)=O)s1 ZINC000330704148 526679389 /nfs/dbraw/zinc/67/93/89/526679389.db2.gz JPTGGJAMFUUTIE-ZCFIWIBFSA-N 0 0 300.365 0.886 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000190098534 526706637 /nfs/dbraw/zinc/70/66/37/526706637.db2.gz AOBHPRQPNGQDBE-UHFFFAOYSA-N 0 0 310.398 0.165 10 0 DCAERN O=C(NCc1cccc(CN2CCOCC2)c1)N1CC(CO)C1 ZINC000191338658 526712336 /nfs/dbraw/zinc/71/23/36/526712336.db2.gz JTARXRWDQIVIMG-UHFFFAOYSA-N 0 0 319.405 0.653 10 0 DCAERN Cc1oc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1S(N)(=O)=O ZINC000268016260 526760197 /nfs/dbraw/zinc/76/01/97/526760197.db2.gz RPWYGDFRZZUNKL-HTQZYQBOSA-N 0 0 302.352 0.485 10 0 DCAERN NC(=O)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000176205791 526902122 /nfs/dbraw/zinc/90/21/22/526902122.db2.gz YNNDAGBJIVPHBY-GXSJLCMTSA-N 0 0 309.753 0.509 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CN3CCCC3=O)C2)cn1 ZINC000154399775 527242264 /nfs/dbraw/zinc/24/22/64/527242264.db2.gz LSZAZYROSMELNJ-GFCCVEGCSA-N 0 0 305.382 0.128 10 0 DCAERN Cn1cc(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cn1 ZINC000127307729 527250341 /nfs/dbraw/zinc/25/03/41/527250341.db2.gz LCSYFUHDJSWPQK-UHFFFAOYSA-N 0 0 314.393 0.915 10 0 DCAERN CC(=O)c1ccc(NC(=O)CCN2CCOC[C@H](O)C2)cc1 ZINC000295639279 527297168 /nfs/dbraw/zinc/29/71/68/527297168.db2.gz PKHGRDJIZWTWNV-OAHLLOKOSA-N 0 0 306.362 0.911 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191473311 527486146 /nfs/dbraw/zinc/48/61/46/527486146.db2.gz CEXSXUVWAYMUAY-CYBMUJFWSA-N 0 0 319.336 0.321 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000132448773 527521684 /nfs/dbraw/zinc/52/16/84/527521684.db2.gz LCIBZUNLZWAYLN-RISCZKNCSA-N 0 0 300.424 0.618 10 0 DCAERN O=C(NC1CN(C(=O)NCc2nnc3n2CCCC3)C1)C1CC1 ZINC000190328239 527541502 /nfs/dbraw/zinc/54/15/02/527541502.db2.gz CTXXGGSZOBTDHP-UHFFFAOYSA-N 0 0 318.381 0.034 10 0 DCAERN CC(C)C(C)(C)CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000187620311 527565371 /nfs/dbraw/zinc/56/53/71/527565371.db2.gz RPYYWNKHOHTGEY-UHFFFAOYSA-N 0 0 305.382 0.928 10 0 DCAERN Cn1ncc(C(=O)N2CCO[C@]3(CCOC3)C2)c1-n1cccc1 ZINC000186094521 527566080 /nfs/dbraw/zinc/56/60/80/527566080.db2.gz MHRJLVZSTNWOCI-MRXNPFEDSA-N 0 0 316.361 0.842 10 0 DCAERN Cn1nccc1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000124540796 527598245 /nfs/dbraw/zinc/59/82/45/527598245.db2.gz UWBXMCVNZDSYML-UHFFFAOYSA-N 0 0 318.377 0.665 10 0 DCAERN Cn1nccc1CCC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000132048903 527602459 /nfs/dbraw/zinc/60/24/59/527602459.db2.gz YIZDFPAGXBHRCI-CQSZACIVSA-N 0 0 304.325 0.835 10 0 DCAERN Cn1nccc1CNS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000186320002 527611170 /nfs/dbraw/zinc/61/11/70/527611170.db2.gz CESZQAKHSZEPHO-UHFFFAOYSA-N 0 0 305.310 0.360 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157452166 527618017 /nfs/dbraw/zinc/61/80/17/527618017.db2.gz UCNALYOFRMNSET-RNCFNFMXSA-N 0 0 308.382 0.071 10 0 DCAERN O=C(/C=C/c1cccc(O)c1)NC[C@@H](O)CN1CCOCC1 ZINC000127420084 527627067 /nfs/dbraw/zinc/62/70/67/527627067.db2.gz HSTXAXODCBVLIX-MBVDDHJVSA-N 0 0 306.362 0.215 10 0 DCAERN Cn1nnc2ccc(C(=O)NCc3nnc4n3CCCC4)cc21 ZINC000185023312 527647603 /nfs/dbraw/zinc/64/76/03/527647603.db2.gz UEGNWUZYUYCBDH-UHFFFAOYSA-N 0 0 311.349 0.826 10 0 DCAERN CCCCCN(CCO)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000158688444 528180446 /nfs/dbraw/zinc/18/04/46/528180446.db2.gz NLLNQSYSWKGGMF-BETUJISGSA-N 0 0 308.444 0.825 10 0 DCAERN CC(C)[C@@H](C(=O)NCC1(CCO)CC1)N1CCCS1(=O)=O ZINC000188010743 528359164 /nfs/dbraw/zinc/35/91/64/528359164.db2.gz NVTZRTHFLZKXNP-LBPRGKRZSA-N 0 0 318.439 0.325 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176576730 528415072 /nfs/dbraw/zinc/41/50/72/528415072.db2.gz JSEKBOBWVYRIBX-CFMSYZGJSA-N 0 0 301.416 0.663 10 0 DCAERN CCOc1ccc(OCC(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000188755405 528563129 /nfs/dbraw/zinc/56/31/29/528563129.db2.gz QCNXUPFSVVANTG-AWEZNQCLSA-N 0 0 322.405 0.989 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408396924 528606562 /nfs/dbraw/zinc/60/65/62/528606562.db2.gz RXMZMQZWAKJSRT-LLVKDONJSA-N 0 0 306.428 0.470 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000151934337 528615081 /nfs/dbraw/zinc/61/50/81/528615081.db2.gz FLKTVVKDETVKLV-GHMZBOCLSA-N 0 0 314.411 0.739 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408396455 528830290 /nfs/dbraw/zinc/83/02/90/528830290.db2.gz PLYMURYKBIFZQO-SRVKXCTJSA-N 0 0 304.412 0.198 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000153782200 528977743 /nfs/dbraw/zinc/97/77/43/528977743.db2.gz GYCMOARAJBDZAX-YPMHNXCESA-N 0 0 324.425 0.744 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCNC(=O)C2)CC[S@@]1=O ZINC000186714653 529072389 /nfs/dbraw/zinc/07/23/89/529072389.db2.gz UFQGSCUXCHMBDO-PRWKNARSSA-N 0 0 300.424 0.662 10 0 DCAERN CC1(C)CN(CC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000155331817 529113484 /nfs/dbraw/zinc/11/34/84/529113484.db2.gz PTEVGDQKDHRUKI-UHFFFAOYSA-N 0 0 302.440 0.944 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccncc1C ZINC000488172581 535431076 /nfs/dbraw/zinc/43/10/76/535431076.db2.gz SCTPTAWPBLZNME-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)N2CCOCC2)(C(=O)OC)C1(C)C ZINC000444277418 535443178 /nfs/dbraw/zinc/44/31/78/535443178.db2.gz LWKHDLDFMFOORV-IAQYHMDHSA-N 0 0 314.382 0.775 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCC[C@@H]2CCOC2)C1 ZINC000454679223 535791777 /nfs/dbraw/zinc/79/17/77/535791777.db2.gz NYZNZPKGDCGYSO-CHWSQXEVSA-N 0 0 312.414 0.906 10 0 DCAERN CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1c(Cl)cnn1C ZINC000429860701 536448800 /nfs/dbraw/zinc/44/88/00/536448800.db2.gz NNRGIQBCQPIMEJ-SCZZXKLOSA-N 0 0 307.803 0.855 10 0 DCAERN Cn1c(=O)c2cc(NC(=O)Cc3ccccc3)cnc2n(C)c1=O ZINC000040817909 545648452 /nfs/dbraw/zinc/64/84/52/545648452.db2.gz RIUCMCATWKWGBR-UHFFFAOYSA-N 0 0 324.340 0.813 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N2CC(CO)C2)c(F)c1 ZINC000091487925 545719103 /nfs/dbraw/zinc/71/91/03/545719103.db2.gz KXXSXAHKQCRHKU-UHFFFAOYSA-N 0 0 302.327 0.397 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(CCn2cccn2)CC1 ZINC000103491623 545732104 /nfs/dbraw/zinc/73/21/04/545732104.db2.gz FCHCQSKUIUHIRD-OAHLLOKOSA-N 0 0 319.453 0.948 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240782 545882640 /nfs/dbraw/zinc/88/26/40/545882640.db2.gz UWKXQCIKIKVAQZ-SYQHCUMBSA-N 0 0 303.362 0.702 10 0 DCAERN CC(C)C1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000177387725 545891285 /nfs/dbraw/zinc/89/12/85/545891285.db2.gz AEMBWWKGIVYNSB-UHFFFAOYSA-N 0 0 303.366 0.682 10 0 DCAERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000177929655 545892378 /nfs/dbraw/zinc/89/23/78/545892378.db2.gz IZSBPOFUAVRRFI-NSHDSACASA-N 0 0 320.393 0.851 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOCC1 ZINC000180024238 545900547 /nfs/dbraw/zinc/90/05/47/545900547.db2.gz XMYNRUPKTSFXJV-KGLIPLIRSA-N 0 0 305.378 0.951 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000183528445 545908528 /nfs/dbraw/zinc/90/85/28/545908528.db2.gz UMXJRCHBKPMDJX-STQMWFEESA-N 0 0 309.370 0.258 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)C[C@H]1c2ccccc2NC1=O ZINC000188857162 545918363 /nfs/dbraw/zinc/91/83/63/545918363.db2.gz JNOUIJABMZBPGB-JQWIXIFHSA-N 0 0 301.346 0.849 10 0 DCAERN Cc1cc(-n2cccn2)ccc1NC(=O)CN1CC(=O)NC1=O ZINC000191129574 545924981 /nfs/dbraw/zinc/92/49/81/545924981.db2.gz HKWUQAHHILPZCV-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000191508279 545925959 /nfs/dbraw/zinc/92/59/59/545925959.db2.gz XEATYAYOCPUIIU-UHFFFAOYSA-N 0 0 319.336 0.913 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cn[nH]c1 ZINC000229963530 545946870 /nfs/dbraw/zinc/94/68/70/545946870.db2.gz RAFAYBUICHBMMW-MWLCHTKSSA-N 0 0 300.384 0.401 10 0 DCAERN Nc1ccccc1S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000250089653 545973110 /nfs/dbraw/zinc/97/31/10/545973110.db2.gz SRVDQVJWLBLNSY-JQWIXIFHSA-N 0 0 309.391 0.558 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)CN2C)C1 ZINC000328976436 546042103 /nfs/dbraw/zinc/04/21/03/546042103.db2.gz CZNAIRSOLKHTFT-LOWDOPEQSA-N 0 0 324.381 0.386 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000332715112 546058265 /nfs/dbraw/zinc/05/82/65/546058265.db2.gz GXBXGFZQMNYDSM-NSODJVPESA-N 0 0 323.393 0.781 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000332794678 546061260 /nfs/dbraw/zinc/06/12/60/546061260.db2.gz QKBAWPDRLNDNMF-RNJOBUHISA-N 0 0 323.397 0.854 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)N(C(C)=O)C1 ZINC000333203493 546074458 /nfs/dbraw/zinc/07/44/58/546074458.db2.gz OEBABUMORLHGHO-DLTWYDFYSA-N 0 0 324.421 0.776 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2C[C@@H](F)C[C@@H]2CO)cn1 ZINC000333380154 546079650 /nfs/dbraw/zinc/07/96/50/546079650.db2.gz KJJUQPACRZKUAD-LOWDOPEQSA-N 0 0 312.345 0.364 10 0 DCAERN C[C@H]1C[C@H]1N1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333425570 546081071 /nfs/dbraw/zinc/08/10/71/546081071.db2.gz MSCJUGKTIZWVSY-ZOLYEBIHSA-N 0 0 316.423 0.483 10 0 DCAERN 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/nfs/dbraw/zinc/21/90/26/547219026.db2.gz OHAXIOYEYMZYMN-MRXNPFEDSA-N 0 0 314.393 0.897 10 0 DCAERN COC[C@@H](O)c1cnnn1CCN1C(=O)c2ccccc2C1=O ZINC000675079340 547659191 /nfs/dbraw/zinc/65/91/91/547659191.db2.gz CSAFQACVSQRPQS-CYBMUJFWSA-N 0 0 316.317 0.254 10 0 DCAERN CS(=O)(=O)c1cnn(-c2ncc(Br)cn2)c1 ZINC000725242403 548749191 /nfs/dbraw/zinc/74/91/91/548749191.db2.gz ZSHAMYZAAAYHEG-UHFFFAOYSA-N 0 0 303.141 0.828 10 0 DCAERN CCOC(=O)CC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC000725264167 548750256 /nfs/dbraw/zinc/75/02/56/548750256.db2.gz MWSKGPCPYFKIEE-NSHDSACASA-N 0 0 303.380 0.365 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000722357122 660948282 /nfs/dbraw/zinc/94/82/82/660948282.db2.gz UOMXOYVJZHTIKT-GFCCVEGCSA-N 0 0 303.384 0.581 10 0 DCAERN Cc1occc1CN(C)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093745 661157637 /nfs/dbraw/zinc/15/76/37/661157637.db2.gz QLIGRFZSLOUVSV-CHWSQXEVSA-N 0 0 306.322 0.384 10 0 DCAERN O=C(CO)N[C@H]1COC[C@H]1Oc1cnn(-c2ccccc2)c1 ZINC000888094994 661164126 /nfs/dbraw/zinc/16/41/26/661164126.db2.gz IQQOGLGZNQKQTJ-UONOGXRCSA-N 0 0 303.318 0.127 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cocn2)n(C)c1=O ZINC000888099080 661178229 /nfs/dbraw/zinc/17/82/29/661178229.db2.gz QZAMDFATMRRTIV-GHMZBOCLSA-N 0 0 319.365 0.638 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccc(Br)s1 ZINC000722488083 661273414 /nfs/dbraw/zinc/27/34/14/661273414.db2.gz ZXOFFJOTFUXLFC-YFKPBYRVSA-N 0 0 313.198 0.692 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1nnc(C)s1 ZINC000353197816 665414658 /nfs/dbraw/zinc/41/46/58/665414658.db2.gz XMGXNEAJEJJCIO-HZGVNTEJSA-N 0 0 300.409 0.945 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000353197819 665414794 /nfs/dbraw/zinc/41/47/94/665414794.db2.gz XMGXNEAJEJJCIO-RCOVLWMOSA-N 0 0 300.409 0.945 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CO ZINC000180952538 665465869 /nfs/dbraw/zinc/46/58/69/665465869.db2.gz IYKVWDPMQWWGLJ-LURJTMIESA-N 0 0 307.133 0.900 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000076212677 657641865 /nfs/dbraw/zinc/64/18/65/657641865.db2.gz INPUZHUDXJCTGX-LLVKDONJSA-N 0 0 304.412 0.136 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCC[C@@H]1C(N)=O ZINC000255574474 657643414 /nfs/dbraw/zinc/64/34/14/657643414.db2.gz HVFOJFYKORDAHQ-DGCLKSJQSA-N 0 0 319.409 0.554 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000074718892 657719707 /nfs/dbraw/zinc/71/97/07/657719707.db2.gz SZESKXQVGDLSSU-BZPMIXESSA-N 0 0 320.393 0.404 10 0 DCAERN Cn1nccc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000186419412 665517192 /nfs/dbraw/zinc/51/71/92/665517192.db2.gz WYMNPCNSUJZWCF-UHFFFAOYSA-N 0 0 316.364 0.911 10 0 DCAERN C[C@@](O)(CN1CCN(CCO)CC1)C(F)(F)C(F)(F)F ZINC000724041700 657910077 /nfs/dbraw/zinc/91/00/77/657910077.db2.gz OBFRQGSQFZNTGJ-SECBINFHSA-N 0 0 306.275 0.545 10 0 DCAERN Cn1ncc(N[C@H]2CC23CC(O)C3)c(Br)c1=O ZINC000724992500 657987672 /nfs/dbraw/zinc/98/76/72/657987672.db2.gz IWRRMJJQJNHGEW-WINXVSCGSA-N 0 0 300.156 0.868 10 0 DCAERN 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SVBXLZLGTCHESK-WDEREUQCSA-N 0 0 303.309 0.781 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1C ZINC000094855547 661299403 /nfs/dbraw/zinc/29/94/03/661299403.db2.gz GUIRVHXLGCNKIU-UWVGGRQHSA-N 0 0 310.375 0.745 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)N1CCc2ccccc21 ZINC000178565755 661316814 /nfs/dbraw/zinc/31/68/14/661316814.db2.gz PTBNRGITLMSSKP-JQWIXIFHSA-N 0 0 301.346 0.359 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1cccnc1 ZINC000182301291 665775699 /nfs/dbraw/zinc/77/56/99/665775699.db2.gz GMEGHEFQIMKMKC-HIFRSBDPSA-N 0 0 317.389 0.880 10 0 DCAERN CCOC(=O)CNC(=O)[C@H]1CN(C(C)=O)Cc2cccnc21 ZINC000222663436 661625798 /nfs/dbraw/zinc/62/57/98/661625798.db2.gz HONUGABJODIMPC-LBPRGKRZSA-N 0 0 305.334 0.207 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)C(C)C ZINC000178898168 661731644 /nfs/dbraw/zinc/73/16/44/661731644.db2.gz JSDFHWQWSZLLDT-LLVKDONJSA-N 0 0 323.397 0.463 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000338932448 661807352 /nfs/dbraw/zinc/80/73/52/661807352.db2.gz AMKHSMAGBVFZBA-OLZOCXBDSA-N 0 0 321.402 0.121 10 0 DCAERN CN(C)C(=O)C[C@]1(O)CCCN(c2nccn3ccnc23)C1 ZINC000894305264 661842344 /nfs/dbraw/zinc/84/23/44/661842344.db2.gz FDWSBHNZHDBQED-OAHLLOKOSA-N 0 0 303.366 0.539 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)CCN1CCO ZINC000187661059 661908343 /nfs/dbraw/zinc/90/83/43/661908343.db2.gz LQFXONXMZRZYOQ-LLVKDONJSA-N 0 0 312.801 0.672 10 0 DCAERN Cn1ncc(C(=O)NC2COC2)c1I ZINC000306340234 662019737 /nfs/dbraw/zinc/01/97/37/662019737.db2.gz LASFDMLPPSNSPK-UHFFFAOYSA-N 0 0 307.091 0.153 10 0 DCAERN Cn1cnc(S(=O)(=O)NCCCn2ccnn2)c1Cl ZINC000126708748 662021611 /nfs/dbraw/zinc/02/16/11/662021611.db2.gz SDLSUKFRDURDEB-UHFFFAOYSA-N 0 0 304.763 0.034 10 0 DCAERN COC[C@]1(C(N)=O)CCCN1Cc1nc(Br)c[nH]1 ZINC000895044450 662045395 /nfs/dbraw/zinc/04/53/95/662045395.db2.gz UNGPLVFQPRMINV-NSHDSACASA-N 0 0 317.187 0.639 10 0 DCAERN Cc1ccccc1NNC(=S)NCCNS(C)(=O)=O ZINC000727065446 662109984 /nfs/dbraw/zinc/10/99/84/662109984.db2.gz RDSGASOLWDGJGG-UHFFFAOYSA-N 0 0 302.425 0.335 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC000727858952 662256203 /nfs/dbraw/zinc/25/62/03/662256203.db2.gz LLTYIHFCZREBNY-SECBINFHSA-N 0 0 308.363 0.569 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000728026576 662336725 /nfs/dbraw/zinc/33/67/25/662336725.db2.gz IIPPQLIMUMZLBR-UHFFFAOYSA-N 0 0 315.395 0.324 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000728073422 662341577 /nfs/dbraw/zinc/34/15/77/662341577.db2.gz UDICXCRVXOGKPX-VXGBXAGGSA-N 0 0 314.407 0.519 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000262927473 662599965 /nfs/dbraw/zinc/59/99/65/662599965.db2.gz HOIBBPQTKXUAIO-PWSUYJOCSA-N 0 0 309.316 0.905 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)OC[C@@H]1COCCO1 ZINC000729100532 662632860 /nfs/dbraw/zinc/63/28/60/662632860.db2.gz FNXGHWSJLSWGRJ-ZFWWWQNUSA-N 0 0 305.330 0.923 10 0 DCAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)CC2CC2)C1 ZINC000263492431 662699862 /nfs/dbraw/zinc/69/98/62/662699862.db2.gz PIYOHJFSQBJLFN-UHFFFAOYSA-N 0 0 316.423 0.643 10 0 DCAERN Cn1cc([C@H]2CCCN(C(=O)c3cccn4nnnc34)C2)cn1 ZINC000897434908 662711179 /nfs/dbraw/zinc/71/11/79/662711179.db2.gz BGNSWLCUSXJGDT-NSHDSACASA-N 0 0 311.349 0.878 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)c1Cl ZINC000721871487 662734759 /nfs/dbraw/zinc/73/47/59/662734759.db2.gz OKAOBUIUOOSQJJ-QMMMGPOBSA-N 0 0 307.803 0.855 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2ccc(C)nc2Cl)CC1 ZINC000729318266 662765109 /nfs/dbraw/zinc/76/51/09/662765109.db2.gz LKVXVAZACMJPHY-UHFFFAOYSA-N 0 0 324.812 0.937 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)N(C)C ZINC000729699172 662907448 /nfs/dbraw/zinc/90/74/48/662907448.db2.gz RQGQCLDVEIVMEE-CQSZACIVSA-N 0 0 322.361 0.820 10 0 DCAERN CC(C)[C@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)N(C)C ZINC000729711946 662907623 /nfs/dbraw/zinc/90/76/23/662907623.db2.gz AXMDOVMERDKACZ-AWEZNQCLSA-N 0 0 322.361 0.778 10 0 DCAERN Cn1cccc1C(=O)COC(=O)COc1ccccc1C(N)=O ZINC000729928392 662914509 /nfs/dbraw/zinc/91/45/09/662914509.db2.gz QYKBXSVFQULKPP-UHFFFAOYSA-N 0 0 316.313 0.929 10 0 DCAERN CNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000078282893 662933639 /nfs/dbraw/zinc/93/36/39/662933639.db2.gz DNHBGYRZRJZQJQ-KPKJPENVSA-N 0 0 323.418 0.351 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC000436117219 663416336 /nfs/dbraw/zinc/41/63/36/663416336.db2.gz WYLRJAILGZJPER-AWEZNQCLSA-N 0 0 306.322 0.310 10 0 DCAERN COC(=O)C1(O)CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000436163129 663431702 /nfs/dbraw/zinc/43/17/02/663431702.db2.gz VBYPHEHTKVRGDX-UHFFFAOYSA-N 0 0 318.333 0.406 10 0 DCAERN COC[C@@](C)(CC(=O)OC)NC(=O)c1ccnc2[nH]c(C)nc21 ZINC000436210901 663437245 /nfs/dbraw/zinc/43/72/45/663437245.db2.gz PECPTNNMFLIBRP-OAHLLOKOSA-N 0 0 320.349 0.964 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000075529748 663492287 /nfs/dbraw/zinc/49/22/87/663492287.db2.gz AZZMIEKIYQTFQL-MWLCHTKSSA-N 0 0 307.375 0.640 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)[S@@](=O)C[C@H](O)CO ZINC000905185457 663536979 /nfs/dbraw/zinc/53/69/79/663536979.db2.gz YWTBGJPFGOPHOD-DAKYAEBGSA-N 0 0 311.403 0.062 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCC[C@@H](C)C1 ZINC000031471161 663583722 /nfs/dbraw/zinc/58/37/22/663583722.db2.gz MDZAXGRKXNNNCP-CABCVRRESA-N 0 0 303.406 0.366 10 0 DCAERN COC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000907882046 663722137 /nfs/dbraw/zinc/72/21/37/663722137.db2.gz QFBHIGJGTHEBEE-RYUDHWBXSA-N 0 0 320.370 0.936 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc(Cl)nc1 ZINC000149626153 663760611 /nfs/dbraw/zinc/76/06/11/663760611.db2.gz VVGZDWVOFBBOAI-SECBINFHSA-N 0 0 303.771 0.450 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)Nn2ccnn2)[C@H]1c1ccncc1 ZINC000908824329 663770935 /nfs/dbraw/zinc/77/09/35/663770935.db2.gz DLDSLISEAPSPOG-GXTWGEPZSA-N 0 0 314.349 0.743 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC[C@@H](n3ccnn3)C2)c1 ZINC000911828971 664113123 /nfs/dbraw/zinc/11/31/23/664113123.db2.gz CODNLZFDDXGRDK-TZMCWYRMSA-N 0 0 302.334 0.794 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCc1cnn(C)c1 ZINC000054813205 664356753 /nfs/dbraw/zinc/35/67/53/664356753.db2.gz UDJCRWWGZARCLP-ZDUSSCGKSA-N 0 0 304.350 0.962 10 0 DCAERN CCCCS(=O)(=O)N1CCN(Cc2nonc2C)CC1 ZINC000222316787 664373949 /nfs/dbraw/zinc/37/39/49/664373949.db2.gz CIBUYSYYRGHGJR-UHFFFAOYSA-N 0 0 302.400 0.626 10 0 DCAERN COC[C@H](O)CNC(=O)CNC(=O)c1ccccc1Cl ZINC000071263720 1157433221 /nfs/dbraw/zinc/43/32/21/1157433221.db2.gz IEQBGFLRWMRCGA-SECBINFHSA-N 0 0 300.742 0.193 10 0 DCAERN COc1ccc(-n2cc(C(=O)NC[C@@H](C)O)ccc2=O)cc1 ZINC000223316932 664407552 /nfs/dbraw/zinc/40/75/52/664407552.db2.gz QOMNKKCGKIDAGX-LLVKDONJSA-N 0 0 302.330 0.957 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)c2nn3c(c2F)OCC3)C1 ZINC000223849126 664425010 /nfs/dbraw/zinc/42/50/10/664425010.db2.gz SOOPIYFUFIKQDC-VIFPVBQESA-N 0 0 311.313 0.830 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1F ZINC000168647640 664527772 /nfs/dbraw/zinc/52/77/72/664527772.db2.gz ISCSTDMATROVGV-SECBINFHSA-N 0 0 305.327 0.216 10 0 DCAERN CCc1nnc(CN(CCC(=O)OC)C2CCOCC2)n1C ZINC000174441640 664639775 /nfs/dbraw/zinc/63/97/75/664639775.db2.gz ARHZGAWPAPGSTH-UHFFFAOYSA-N 0 0 310.398 0.922 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NC1CCCC1 ZINC000730312807 664683939 /nfs/dbraw/zinc/68/39/39/664683939.db2.gz VQGVTIOJIDNEBC-LLVKDONJSA-N 0 0 300.380 0.510 10 0 DCAERN C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C1CCOCC1 ZINC000151683674 664711462 /nfs/dbraw/zinc/71/14/62/664711462.db2.gz HBBMISOHEROGDG-SNVBAGLBSA-N 0 0 320.349 0.488 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](O)c1ccccc1F ZINC000152025224 664729229 /nfs/dbraw/zinc/72/92/29/664729229.db2.gz RKQKBVCGHWSOMX-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CN3C[C@@H](C)CC3=O)CC2)n1 ZINC000152632098 664767020 /nfs/dbraw/zinc/76/70/20/664767020.db2.gz KOGUOVMXADLJOW-NWDGAFQWSA-N 0 0 307.398 0.883 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)COC(=O)C1=COCCC1)C(=O)OC ZINC000730850613 664820494 /nfs/dbraw/zinc/82/04/94/664820494.db2.gz BTLCQBBCQIRDEJ-MFKMUULPSA-N 0 0 313.350 0.928 10 0 DCAERN C[C@H](OC(=O)C1=COCCC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000730851474 664820727 /nfs/dbraw/zinc/82/07/27/664820727.db2.gz AOXRGDZILUIOMM-QWRGUYRKSA-N 0 0 310.350 0.336 10 0 DCAERN CC(C)c1ocnc1C(=O)NCCCN1CCCS1(=O)=O ZINC000732068290 664899667 /nfs/dbraw/zinc/89/96/67/664899667.db2.gz OWZVUAWCJCSLKP-UHFFFAOYSA-N 0 0 315.395 0.953 10 0 DCAERN Cc1cc(C)n(CC(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000732320524 664912578 /nfs/dbraw/zinc/91/25/78/664912578.db2.gz APUXFBICYUUWAA-CYBMUJFWSA-N 0 0 317.349 0.582 10 0 DCAERN O=C1OCC[C@@H]1N1CCN(Cc2nccn2C(F)F)CC1 ZINC000175076660 665312693 /nfs/dbraw/zinc/31/26/93/665312693.db2.gz SMSNRQYCKQIABW-JTQLQIEISA-N 0 0 300.309 0.711 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000184497191 666218074 /nfs/dbraw/zinc/21/80/74/666218074.db2.gz PMIROQYDSQMQTO-SNVBAGLBSA-N 0 0 304.268 0.991 10 0 DCAERN O=C(NCCCn1ccnn1)NC1CCC2(CC1)OCCO2 ZINC000184822300 666285491 /nfs/dbraw/zinc/28/54/91/666285491.db2.gz KQJPTBHLGNVIML-UHFFFAOYSA-N 0 0 309.370 0.653 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCC(=O)OC(C)C ZINC000360330794 666385485 /nfs/dbraw/zinc/38/54/85/666385485.db2.gz ZIBABJFSMOBLGN-NSHDSACASA-N 0 0 302.396 0.756 10 0 DCAERN C[C@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)C(=O)NC(N)=O ZINC000733579298 666767832 /nfs/dbraw/zinc/76/78/32/666767832.db2.gz RKIBHSGZHXCNJP-LURJTMIESA-N 0 0 314.729 0.541 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)c1ccsc1 ZINC000733880400 666823709 /nfs/dbraw/zinc/82/37/09/666823709.db2.gz UIMKKLMMZANJLE-IBGZPJMESA-N 0 0 302.421 0.753 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000733899069 666824659 /nfs/dbraw/zinc/82/46/59/666824659.db2.gz YZZGWVBOTYWWDS-SFHVURJKSA-N 0 0 303.405 0.764 10 0 DCAERN CC[S@](=O)CCNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000733962366 666832357 /nfs/dbraw/zinc/83/23/57/666832357.db2.gz JMEZSBZDTWYPQX-QFIPXVFZSA-N 0 0 323.418 0.615 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000733964433 666832668 /nfs/dbraw/zinc/83/26/68/666832668.db2.gz PEUUKZYGTOVXJS-XUSGNXJCSA-N 0 0 310.375 0.661 10 0 DCAERN CCOC(=O)N1CCC[C@H](C(=O)NCC[S@@](=O)CC)C1 ZINC000733963181 666832805 /nfs/dbraw/zinc/83/28/05/666832805.db2.gz VSYTUPANNLXCJD-YBTHPKLGSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000733966351 666833227 /nfs/dbraw/zinc/83/32/27/666833227.db2.gz QQVCJJBFTJUWMT-OAQYLSRUSA-N 0 0 307.375 0.432 10 0 DCAERN Cn1nnc(CNCC23CC(C2)CN3C(=O)OC(C)(C)C)n1 ZINC000701856898 666886665 /nfs/dbraw/zinc/88/66/65/666886665.db2.gz ZEGCRWRYWORRJP-UHFFFAOYSA-N 0 0 308.386 0.699 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccc(OC)c(O)c1 ZINC000735107466 666946413 /nfs/dbraw/zinc/94/64/13/666946413.db2.gz HWTZGMDJHLSIPB-HXUWFJFHSA-N 0 0 300.380 0.969 10 0 DCAERN CC[S@](=O)CCNC(=O)NC1CCN(C(=O)OC)CC1 ZINC000735097649 666951677 /nfs/dbraw/zinc/95/16/77/666951677.db2.gz VFEYSVACHFHOPU-FQEVSTJZSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(F)c1F ZINC000735196423 666965703 /nfs/dbraw/zinc/96/57/03/666965703.db2.gz IMJBQZIUSLMUSW-FQEVSTJZSA-N 0 0 304.318 0.788 10 0 DCAERN CCOc1ccccc1NC(=O)C(=O)NCC[S@@](=O)CC ZINC000735197590 666965733 /nfs/dbraw/zinc/96/57/33/666965733.db2.gz DMMSEXMDAPEPBB-NRFANRHFSA-N 0 0 312.391 0.909 10 0 DCAERN CSCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702790095 666993925 /nfs/dbraw/zinc/99/39/25/666993925.db2.gz OGWUGNRIDPBQGZ-UWVGGRQHSA-N 0 0 304.412 0.693 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000702789302 666994260 /nfs/dbraw/zinc/99/42/60/666994260.db2.gz DLWSUZNIFKQREQ-GXSJLCMTSA-N 0 0 310.354 0.367 10 0 DCAERN CCn1cnc(S(=O)(=O)N(CCOC)CCC(=O)OC)c1 ZINC000118911196 667039778 /nfs/dbraw/zinc/03/97/78/667039778.db2.gz QILDBFYKHUYTHA-UHFFFAOYSA-N 0 0 319.383 0.103 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000703309933 667080485 /nfs/dbraw/zinc/08/04/85/667080485.db2.gz JRDZXWMJOGBZSR-MNOVXSKESA-N 0 0 320.411 0.704 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OC ZINC000737214639 667102021 /nfs/dbraw/zinc/10/20/21/667102021.db2.gz LCLKRKSELSSZGZ-NRFANRHFSA-N 0 0 312.391 0.827 10 0 DCAERN C[C@H](CN1CCN(C2=NC[C@@H](C)S2)CC1)CS(C)(=O)=O ZINC000119581545 667168291 /nfs/dbraw/zinc/16/82/91/667168291.db2.gz LSKHAGQBWQZHGV-VXGBXAGGSA-N 0 0 319.496 0.776 10 0 DCAERN NC(=O)CN(C1CCCC1)S(=O)(=O)C1CCC(=O)CC1 ZINC000708221631 667442267 /nfs/dbraw/zinc/44/22/67/667442267.db2.gz QKTIYKQBDNHVCQ-UHFFFAOYSA-N 0 0 302.396 0.558 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O ZINC000707056566 667430834 /nfs/dbraw/zinc/43/08/34/667430834.db2.gz OAYCAROHZNWRCI-IUCAKERBSA-N 0 0 306.771 0.472 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708148300 667442063 /nfs/dbraw/zinc/44/20/63/667442063.db2.gz JKMBYNYUCFWDNM-UHFFFAOYSA-N 0 0 320.802 0.363 10 0 DCAERN Nc1nc(Cl)cc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)n1 ZINC000708875711 667443960 /nfs/dbraw/zinc/44/39/60/667443960.db2.gz JEFPQXKTOIDYMY-SFYZADRCSA-N 0 0 302.787 0.868 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)COc1ccc(Br)cc1 ZINC000717303533 667544125 /nfs/dbraw/zinc/54/41/25/667544125.db2.gz GUGBEXMTBZYETG-KWQFWETISA-N 0 0 318.167 0.686 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cccnc2Cl)C1 ZINC000134897414 667556665 /nfs/dbraw/zinc/55/66/65/667556665.db2.gz DHIJXFIRBDJASZ-JTQLQIEISA-N 0 0 319.814 0.734 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)nc1 ZINC000135053629 667566458 /nfs/dbraw/zinc/56/64/58/667566458.db2.gz FBXQXNIIHHJZEE-UHFFFAOYSA-N 0 0 314.276 0.863 10 0 DCAERN C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000122788890 667684818 /nfs/dbraw/zinc/68/48/18/667684818.db2.gz ODIAEXMVURLTRR-QMMMGPOBSA-N 0 0 320.798 0.701 10 0 DCAERN Cc1nc(C(=O)NC2CCC3(CC2)OCCO3)c(=O)[nH]c1C ZINC000136475346 667724627 /nfs/dbraw/zinc/72/46/27/667724627.db2.gz DOCPALQZXFKYEF-UHFFFAOYSA-N 0 0 307.350 0.802 10 0 DCAERN COc1ccccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026745 667725352 /nfs/dbraw/zinc/72/53/52/667725352.db2.gz TWQBEPFWUMMPRW-KRWDZBQOSA-N 0 0 319.405 0.457 10 0 DCAERN COc1cc(N2CCC[C@@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065828 667727970 /nfs/dbraw/zinc/72/79/70/667727970.db2.gz YZKXQIYAQHWCAQ-CQSZACIVSA-N 0 0 304.354 0.188 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2nnc3ccccn32)C1=O ZINC000886074648 667729282 /nfs/dbraw/zinc/72/92/82/667729282.db2.gz KRCXGBFCYOGQCQ-LLVKDONJSA-N 0 0 317.349 0.695 10 0 DCAERN COc1cccc(CN[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000886079652 667729629 /nfs/dbraw/zinc/72/96/29/667729629.db2.gz HGPRSBMWULWDJF-UONOGXRCSA-N 0 0 304.350 0.760 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082237 667730086 /nfs/dbraw/zinc/73/00/86/667730086.db2.gz NZRXVJHKQQIRIP-LBPRGKRZSA-N 0 0 308.382 0.364 10 0 DCAERN CCOc1cc(N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886094894 667731331 /nfs/dbraw/zinc/73/13/31/667731331.db2.gz GMAHDWYHUKNTMF-OAHLLOKOSA-N 0 0 322.365 0.241 10 0 DCAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2cnc[nH]2)CCC(=O)N1C ZINC000886097332 667732313 /nfs/dbraw/zinc/73/23/13/667732313.db2.gz UDXNPLBTOMVMJL-BXKDBHETSA-N 0 0 302.338 0.235 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](O)c2cccc(OC)c2)CC1 ZINC000123278433 667752602 /nfs/dbraw/zinc/75/26/02/667752602.db2.gz FDZYPIMZWIILED-GDBMZVCRSA-N 0 0 322.405 0.644 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)CC1 ZINC000123278824 667752643 /nfs/dbraw/zinc/75/26/43/667752643.db2.gz FDZYPIMZWIILED-ZBFHGGJFSA-N 0 0 322.405 0.644 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCOC[C@@H]1CCCO1 ZINC000741075975 667758166 /nfs/dbraw/zinc/75/81/66/667758166.db2.gz MAKSMBBAHWKPOS-FKIZINRSSA-N 0 0 306.428 0.640 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000741089174 667758515 /nfs/dbraw/zinc/75/85/15/667758515.db2.gz MMDQFUDEHFGZSS-OABGYEMISA-N 0 0 317.455 0.701 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000888536536 667762394 /nfs/dbraw/zinc/76/23/94/667762394.db2.gz AMRDUBRBIIGGQZ-LLVKDONJSA-N 0 0 318.385 0.272 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000741417686 667770368 /nfs/dbraw/zinc/77/03/68/667770368.db2.gz MDGDLIZKBCBJQP-PRWKNARSSA-N 0 0 304.412 0.692 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000741422436 667771098 /nfs/dbraw/zinc/77/10/98/667771098.db2.gz IMFAZHJAUMSYQD-DMZKTXOQSA-N 0 0 323.418 0.638 10 0 DCAERN N=C1NC(=O)C(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)S1 ZINC000742598794 667794733 /nfs/dbraw/zinc/79/47/33/667794733.db2.gz PAAHCPPONGVTCN-BQBZGAKWSA-N 0 0 324.328 0.296 10 0 DCAERN Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)no1 ZINC000123521819 667800942 /nfs/dbraw/zinc/80/09/42/667800942.db2.gz YAWCVHOKRUWJHQ-GFCCVEGCSA-N 0 0 302.334 0.807 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000743160178 667803859 /nfs/dbraw/zinc/80/38/59/667803859.db2.gz RIXHMUBMVJTGFA-OAQYLSRUSA-N 0 0 309.391 0.863 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN(C2CC2)CC1 ZINC000124866279 668153016 /nfs/dbraw/zinc/15/30/16/668153016.db2.gz IIXDLPCMOVAJKQ-GFCCVEGCSA-N 0 0 318.464 0.213 10 0 DCAERN CC[C@H]1CN(C(=O)NCc2nonc2C)C[C@H]1N1CCOCC1 ZINC000876439395 668446466 /nfs/dbraw/zinc/44/64/66/668446466.db2.gz KPQXUUVTVIVQII-GXTWGEPZSA-N 0 0 323.397 0.630 10 0 DCAERN CC[C@@H]1CN(C(=O)NCc2nonc2C)C[C@@H]1N1CCOCC1 ZINC000876439405 668446793 /nfs/dbraw/zinc/44/67/93/668446793.db2.gz KPQXUUVTVIVQII-OCCSQVGLSA-N 0 0 323.397 0.630 10 0 DCAERN CCOc1ccccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126432573 668581788 /nfs/dbraw/zinc/58/17/88/668581788.db2.gz NHZHSXLZSJYUBJ-NSHDSACASA-N 0 0 312.391 0.801 10 0 DCAERN COCc1cccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126517936 668616316 /nfs/dbraw/zinc/61/63/16/668616316.db2.gz QOEWBIZMEHMHIU-CYBMUJFWSA-N 0 0 312.391 0.548 10 0 DCAERN CC(C)n1cc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cn1 ZINC000126747256 668654441 /nfs/dbraw/zinc/65/44/41/668654441.db2.gz GEZNGUGKRMGULC-JTQLQIEISA-N 0 0 300.384 0.179 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N[C@@H]1COc2ccccc21 ZINC000126784509 668658417 /nfs/dbraw/zinc/65/84/17/668658417.db2.gz MAKMCEJPALHLKS-CMPLNLGQSA-N 0 0 310.375 0.013 10 0 DCAERN Cc1nc2[nH]cnn2c(=O)c1CCOC(=O)[C@H]1C[C@H]1C1CC1 ZINC000130322006 669615540 /nfs/dbraw/zinc/61/55/40/669615540.db2.gz KPIRUMBRZDUONK-RYUDHWBXSA-N 0 0 302.334 0.858 10 0 DCAERN O=c1n(CN2CCO[C@H](c3nccs3)C2)nc2cnccn21 ZINC000132979672 669761738 /nfs/dbraw/zinc/76/17/38/669761738.db2.gz AUDOELSJBKZUKG-JTQLQIEISA-N 0 0 318.362 0.379 10 0 DCAERN CCCn1cc(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)cn1 ZINC000794114528 669789987 /nfs/dbraw/zinc/78/99/87/669789987.db2.gz GILFUXGZJPOLRR-AWEZNQCLSA-N 0 0 304.354 0.535 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000155400129 669832087 /nfs/dbraw/zinc/83/20/87/669832087.db2.gz ARYAIMGMWIAKPD-ZPMVXHMNSA-N 0 0 317.455 0.877 10 0 DCAERN COC(=O)c1cn(CN2CCC(Nc3cccnn3)CC2)nn1 ZINC000156464943 669840607 /nfs/dbraw/zinc/84/06/07/669840607.db2.gz NVTLYJHSPLSPBT-UHFFFAOYSA-N 0 0 317.353 0.389 10 0 DCAERN COc1cccc([C@@H](O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000158977516 669932250 /nfs/dbraw/zinc/93/22/50/669932250.db2.gz GMBYUVRPTJADFJ-SWLSCSKDSA-N 0 0 308.378 0.566 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000191448337 670027890 /nfs/dbraw/zinc/02/78/90/670027890.db2.gz VNBSMWUNQXSCOY-SECBINFHSA-N 0 0 322.277 0.746 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3ccccc3oc2=O)CCN1CCO ZINC000188757405 670044342 /nfs/dbraw/zinc/04/43/42/670044342.db2.gz ALUGEFPYAFEPGE-LBPRGKRZSA-N 0 0 316.357 0.932 10 0 DCAERN CN(CCS(C)(=O)=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000076304208 670119296 /nfs/dbraw/zinc/11/92/96/670119296.db2.gz HOORKQKAXUFWPF-QWHCGFSZSA-N 0 0 318.439 0.133 10 0 DCAERN COC(=O)c1cncc(N(C)CC(C)(C)S(C)(=O)=O)n1 ZINC000713956596 670172706 /nfs/dbraw/zinc/17/27/06/670172706.db2.gz RIZUZWDDAPSNQQ-UHFFFAOYSA-N 0 0 301.368 0.523 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000713988006 670173374 /nfs/dbraw/zinc/17/33/74/670173374.db2.gz JTPFWIFEUXOPGL-NSHDSACASA-N 0 0 312.416 0.641 10 0 DCAERN Cn1cc(CN2CCOC[C@@H]2CCO)c(Br)n1 ZINC000714095630 670178528 /nfs/dbraw/zinc/17/85/28/670178528.db2.gz GMMWBBZMRHWYMJ-JTQLQIEISA-N 0 0 304.188 0.766 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000714289809 670183358 /nfs/dbraw/zinc/18/33/58/670183358.db2.gz JJBWSGHHTHAFDH-UHFFFAOYSA-N 0 0 321.761 0.359 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2sccc2Br)C1 ZINC000714412719 670185838 /nfs/dbraw/zinc/18/58/38/670185838.db2.gz KOLPLAXKCFGWNV-UHFFFAOYSA-N 0 0 320.164 0.871 10 0 DCAERN C#CCN(C(=O)Cc1ccn(C(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000079700259 670217102 /nfs/dbraw/zinc/21/71/02/670217102.db2.gz APGGSBYXTYCCBM-AWEZNQCLSA-N 0 0 323.418 0.655 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000193299119 670263575 /nfs/dbraw/zinc/26/35/75/670263575.db2.gz WMJZLCSGNCQZQK-WBMJQRKESA-N 0 0 324.425 0.901 10 0 DCAERN NC(=O)C1CC(NC(=O)c2ncsc2Br)C1 ZINC000716658549 670268087 /nfs/dbraw/zinc/26/80/87/670268087.db2.gz BJPPPVHCALEKDG-UHFFFAOYSA-N 0 0 304.169 0.899 10 0 DCAERN Cn1ncc(Br)c1C(=O)NC1CC(C(N)=O)C1 ZINC000716662257 670268225 /nfs/dbraw/zinc/26/82/25/670268225.db2.gz QLBURRURGBNBNO-UHFFFAOYSA-N 0 0 301.144 0.176 10 0 DCAERN O=C(COC(=O)[C@@H]1CNC(=O)C1)N[C@@H]1CCCc2ccccc21 ZINC000194814511 670457534 /nfs/dbraw/zinc/45/75/34/670457534.db2.gz BHVAUEXFPOZTEJ-GXTWGEPZSA-N 0 0 316.357 0.860 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OC[C@@H]1CCC(C)(C)O1)c2=O ZINC000190609809 670466082 /nfs/dbraw/zinc/46/60/82/670466082.db2.gz ZYQDZHUVFLZWMG-JTQLQIEISA-N 0 0 320.349 0.631 10 0 DCAERN Cc1ncsc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000111955883 670527552 /nfs/dbraw/zinc/52/75/52/670527552.db2.gz BEXJPJASDHKBFY-UHFFFAOYSA-N 0 0 319.346 0.638 10 0 DCAERN C[C@](O)(CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1ccccc1 ZINC000855080682 670677482 /nfs/dbraw/zinc/67/74/82/670677482.db2.gz ZABWGGSHZBFOAE-OHFALNGGSA-N 0 0 315.373 0.971 10 0 DCAERN Cc1nn(CN2CC[C@H](NS(C)(=O)=O)C2)c(=S)s1 ZINC000116869832 671132256 /nfs/dbraw/zinc/13/22/56/671132256.db2.gz WMMXKUVINQSQSG-QMMMGPOBSA-N 0 0 308.454 0.564 10 0 DCAERN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)S(N)(=O)=O ZINC000398324161 685274802 /nfs/dbraw/zinc/27/48/02/685274802.db2.gz IKMGTICTHXZEAW-LURJTMIESA-N 0 0 321.742 0.655 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)nn1 ZINC000719103158 685308830 /nfs/dbraw/zinc/30/88/30/685308830.db2.gz ZGVVSUFSGQMLLD-NSHDSACASA-N 0 0 313.379 0.559 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2nc3c(s2)CCCC3)C1 ZINC000719549472 685310787 /nfs/dbraw/zinc/31/07/87/685310787.db2.gz GMFXWPNQUXNRCY-NXEZZACHSA-N 0 0 302.421 0.269 10 0 DCAERN O=S(=O)(N[C@H]1CCCN2CCSC[C@@H]12)c1c[nH]cn1 ZINC000720485125 685313790 /nfs/dbraw/zinc/31/37/90/685313790.db2.gz TVZSNRSOFIYQGP-UWVGGRQHSA-N 0 0 302.425 0.268 10 0 DCAERN CCOCCCNC(=S)NC[C@@]1(OC)CCS(=O)(=O)C1 ZINC000720914807 685317215 /nfs/dbraw/zinc/31/72/15/685317215.db2.gz NGUYGRGBUMTCAC-LBPRGKRZSA-N 0 0 324.468 0.081 10 0 DCAERN CO[C@@]1(CNCc2c(C)nn(C)c2Cl)CCS(=O)(=O)C1 ZINC000720932880 685317298 /nfs/dbraw/zinc/31/72/98/685317298.db2.gz DSJIWDZPJCPHSG-GFCCVEGCSA-N 0 0 321.830 0.675 10 0 DCAERN CO[C@]1(CNc2ccc([C@@H](C)O)cn2)CCS(=O)(=O)C1 ZINC000721187759 685317465 /nfs/dbraw/zinc/31/74/65/685317465.db2.gz SITPVUFRTKCTBS-MFKMUULPSA-N 0 0 300.380 0.751 10 0 DCAERN CC(C)n1ncnc1CNCCS(=O)(=O)N1CCCC1 ZINC000721892505 685319023 /nfs/dbraw/zinc/31/90/23/685319023.db2.gz UXICSCWXETVAFO-UHFFFAOYSA-N 0 0 301.416 0.374 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)CCn2cccn2)C1 ZINC000121487099 685118387 /nfs/dbraw/zinc/11/83/87/685118387.db2.gz MIJJVKVTLXLABS-ZDUSSCGKSA-N 0 0 309.366 0.844 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000151362954 685132533 /nfs/dbraw/zinc/13/25/33/685132533.db2.gz JDSJNHBIZJNIAE-GJZGRUSLSA-N 0 0 301.390 0.728 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H]1Cn1ccnc1 ZINC000177597526 685148296 /nfs/dbraw/zinc/14/82/96/685148296.db2.gz LNIGFRKXZIEODC-OCCSQVGLSA-N 0 0 317.393 0.820 10 0 DCAERN NC(=O)CC[C@@H]1CCCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000245400550 685156201 /nfs/dbraw/zinc/15/62/01/685156201.db2.gz YFGNKTKEQJPMBP-IHRRRGAJSA-N 0 0 319.405 0.873 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cn3nc4cnccn4c3=O)[C@H]2C1 ZINC000245634360 685158131 /nfs/dbraw/zinc/15/81/31/685158131.db2.gz QZOHYFNODGQIFF-AGIUHOORSA-N 0 0 319.365 0.117 10 0 DCAERN CC[C@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CCN1CC(F)F ZINC000245694379 685158662 /nfs/dbraw/zinc/15/86/62/685158662.db2.gz BCWSPLUPFPALFO-STQMWFEESA-N 0 0 319.396 0.895 10 0 DCAERN COC(=O)C[C@@H]1CCCN1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000246175186 685161928 /nfs/dbraw/zinc/16/19/28/685161928.db2.gz FWHAUBHJMLGJMF-AVGNSLFASA-N 0 0 306.362 0.923 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247039985 685168789 /nfs/dbraw/zinc/16/87/89/685168789.db2.gz KRPJAFUINGZTOO-BZPMIXESSA-N 0 0 316.357 0.928 10 0 DCAERN C[C@@H]1CN(CN2C[C@@H](CC(C)(C)C)CC2=O)C[C@@H](C(N)=O)O1 ZINC000249265946 685178435 /nfs/dbraw/zinc/17/84/35/685178435.db2.gz ILIQSIPNDYNVIT-UPJWGTAASA-N 0 0 311.426 0.803 10 0 DCAERN COCCO[C@@H]1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000249139539 685178500 /nfs/dbraw/zinc/17/85/00/685178500.db2.gz VLNXRGMSJKJKSG-RDBSUJKOSA-N 0 0 308.378 0.632 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000249375609 685179528 /nfs/dbraw/zinc/17/95/28/685179528.db2.gz TZNFFGBKLJMKIV-GIPNMCIBSA-N 0 0 318.295 0.894 10 0 DCAERN CN1CCC[C@H]1CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000249890986 685184395 /nfs/dbraw/zinc/18/43/95/685184395.db2.gz SXDKQXRHNIPBFF-QWRGUYRKSA-N 0 0 306.453 0.117 10 0 DCAERN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)OC ZINC000238329364 1158006830 /nfs/dbraw/zinc/00/68/30/1158006830.db2.gz DGEZNFGBRYPCBX-UWVGGRQHSA-N 0 0 318.370 0.594 10 0 DCAERN C[C@@H](CCCCO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000398558449 1158128171 /nfs/dbraw/zinc/12/81/71/1158128171.db2.gz ZVTSCWIHDCKOEA-WDEREUQCSA-N 0 0 309.453 0.574 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1S(N)(=O)=O ZINC000385166188 1158221055 /nfs/dbraw/zinc/22/10/55/1158221055.db2.gz OGRCLQHVFTYJDR-LKEWCRSYSA-N 0 0 302.352 0.531 10 0 DCAERN Cn1c(Cl)c(Cl)cc1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388087665 1159128018 /nfs/dbraw/zinc/12/80/18/1159128018.db2.gz LFRQLGXZBNIUHH-OLQVQODUSA-N 0 0 316.144 0.677 10 0 DCAERN Cc1cc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)no1 ZINC000062435269 1172984503 /nfs/dbraw/zinc/98/45/03/1172984503.db2.gz VAOMGEYIOVQHSQ-AWEZNQCLSA-N 0 0 323.393 0.915 10 0 DCAERN CN(C)S(=O)(=O)NCCc1ccc2c(c1)OCCCO2 ZINC000075000912 1173928329 /nfs/dbraw/zinc/92/83/29/1173928329.db2.gz SNWNGEXCIWYPDF-UHFFFAOYSA-N 0 0 300.380 0.786 10 0 DCAERN CC(C)c1nnsc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000087443317 1173947711 /nfs/dbraw/zinc/94/77/11/1173947711.db2.gz VHRIGYIUZMXPIB-QMMMGPOBSA-N 0 0 318.424 0.555 10 0 DCAERN C[C@@H](Cc1ccsc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000081457356 1174575503 /nfs/dbraw/zinc/57/55/03/1174575503.db2.gz QWDSHPFGZPCJNS-JTQLQIEISA-N 0 0 307.375 0.688 10 0 DCAERN CC(C)NC(=O)NCCN1CCN(Cc2ccnn2C)CC1 ZINC000124340623 1177123239 /nfs/dbraw/zinc/12/32/39/1177123239.db2.gz FKVXAOJPKYMWNT-UHFFFAOYSA-N 0 0 308.430 0.245 10 0 DCAERN O=C(COC[C@H]1CCOC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126013956 1177207703 /nfs/dbraw/zinc/20/77/03/1177207703.db2.gz PGUBENGATZJMGY-ZFWWWQNUSA-N 0 0 324.421 0.947 10 0 DCAERN CCOCc1nc(Cl)cc(NCC(=O)NCCOC)n1 ZINC000228761251 1179664255 /nfs/dbraw/zinc/66/42/55/1179664255.db2.gz OGZOJVMZXRSMHJ-UHFFFAOYSA-N 0 0 302.762 0.841 10 0 DCAERN Cc1noc(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)n1 ZINC000152136318 1180544445 /nfs/dbraw/zinc/54/44/45/1180544445.db2.gz NTTUYDGSZXEMQD-LLVKDONJSA-N 0 0 314.301 0.580 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172124520 1183805648 /nfs/dbraw/zinc/80/56/48/1183805648.db2.gz GMZBLXFBHIVXLQ-ODOQXGPZSA-N 0 0 319.409 0.917 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000174011068 1183954559 /nfs/dbraw/zinc/95/45/59/1183954559.db2.gz MYTRNEJDLXFTOD-UFBFGSQYSA-N 0 0 321.381 0.072 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC000175781587 1184113942 /nfs/dbraw/zinc/11/39/42/1184113942.db2.gz WKOHCIUFHUEOIK-SNVBAGLBSA-N 0 0 311.407 0.390 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000176861321 1184222438 /nfs/dbraw/zinc/22/24/38/1184222438.db2.gz UDINXOISVMZHST-LBPRGKRZSA-N 0 0 307.398 0.892 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@@H](OCCO)C1 ZINC000178622329 1185003792 /nfs/dbraw/zinc/00/37/92/1185003792.db2.gz BECHSYQKQWPWNN-GFCCVEGCSA-N 0 0 304.350 0.431 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)Cn1nnc2ccccc21 ZINC000179002220 1185160906 /nfs/dbraw/zinc/16/09/06/1185160906.db2.gz YRSQXUNSRZDLEA-UHFFFAOYSA-N 0 0 310.379 0.324 10 0 DCAERN Cn1cc(C(=O)N2CCOCC3(CCOCC3)C2)ccc1=O ZINC000185158257 1187238502 /nfs/dbraw/zinc/23/85/02/1187238502.db2.gz FMVFPXSJMVYIJR-UHFFFAOYSA-N 0 0 306.362 0.655 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@@]12CCOC2=O ZINC000186498383 1187386421 /nfs/dbraw/zinc/38/64/21/1187386421.db2.gz DMHYIHWFDODMLI-HNNXBMFYSA-N 0 0 300.318 0.739 10 0 DCAERN COc1cccc(CC(=O)N2CCN(c3cccnn3)CC2)n1 ZINC000188352405 1187636172 /nfs/dbraw/zinc/63/61/72/1187636172.db2.gz WBSJITUPORGGHT-UHFFFAOYSA-N 0 0 313.361 0.772 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)Cc2ncc(Cl)n2C)O1 ZINC000189303063 1187888951 /nfs/dbraw/zinc/88/89/51/1187888951.db2.gz XXLFZQFMBPKMOJ-BDAKNGLRSA-N 0 0 315.757 0.753 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC000192787785 1187962617 /nfs/dbraw/zinc/96/26/17/1187962617.db2.gz NWCGWXOFESZENS-NWDGAFQWSA-N 0 0 306.362 0.911 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCOC[C@@]12CCOC2 ZINC000194380308 1188153066 /nfs/dbraw/zinc/15/30/66/1188153066.db2.gz AKETVUKLNLTVSX-HNNXBMFYSA-N 0 0 302.334 0.449 10 0 DCAERN CC[C@@H](O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307897421 1190385276 /nfs/dbraw/zinc/38/52/76/1190385276.db2.gz BGFBRSIBKPZDPR-SECBINFHSA-N 0 0 300.380 0.563 10 0 DCAERN COCC[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307910095 1190386264 /nfs/dbraw/zinc/38/62/64/1190386264.db2.gz YLNYPZPVSSTZPT-SECBINFHSA-N 0 0 300.380 0.827 10 0 DCAERN Cn1cc(Br)c(CNC(=O)[C@H]2CCC(=O)NC2)n1 ZINC000393627661 1190701925 /nfs/dbraw/zinc/70/19/25/1190701925.db2.gz AWGLDGCGEYYFFJ-ZETCQYMHSA-N 0 0 315.171 0.325 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000255027182 747292146 /nfs/dbraw/zinc/29/21/46/747292146.db2.gz DZPGCWICFXKGQT-FPAJZGIOSA-N 0 0 304.346 0.811 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000588564902 747444799 /nfs/dbraw/zinc/44/47/99/747444799.db2.gz OMKVJLMDGNDTEZ-DOGVGXBMSA-N 0 0 316.361 0.191 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC=C(Br)C1 ZINC000404368317 747453031 /nfs/dbraw/zinc/45/30/31/747453031.db2.gz UWZKDPZTOJSRSD-QMMMGPOBSA-N 0 0 308.197 0.932 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@H]1C(=O)NCC[C@H]1C ZINC000588617596 747554893 /nfs/dbraw/zinc/55/48/93/747554893.db2.gz OYASKCOIUTUTDF-JRPNMDOOSA-N 0 0 319.409 0.329 10 0 DCAERN COCC(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000585175915 748100238 /nfs/dbraw/zinc/10/02/38/748100238.db2.gz LXIHFNPRNDMGPW-UHFFFAOYSA-N 0 0 305.382 0.372 10 0 DCAERN NC(=O)[C@H](O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000228490075 768582319 /nfs/dbraw/zinc/58/23/19/768582319.db2.gz QXZQZTVJDCPEEK-TXXBHVLJSA-N 0 0 303.145 0.969 10 0 DCAERN CN(CC(=O)N1CCC(C(N)=O)CC1)Cc1ccc(Cl)nc1 ZINC000177626560 773899928 /nfs/dbraw/zinc/89/99/28/773899928.db2.gz KTCIXTQLNXFOSQ-UHFFFAOYSA-N 0 0 324.812 0.891 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1F ZINC000401857885 774068377 /nfs/dbraw/zinc/06/83/77/774068377.db2.gz ZPXUSKDPTNHLLD-QMMMGPOBSA-N 0 0 308.356 0.028 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cccnc1F ZINC000401937147 774072154 /nfs/dbraw/zinc/07/21/54/774072154.db2.gz NFEXUABKCIYFBF-IUCAKERBSA-N 0 0 301.343 0.495 10 0 DCAERN COC(=O)[C@H]1COCCN1S(=O)(=O)C1CCC(C)CC1 ZINC000407276983 774233419 /nfs/dbraw/zinc/23/34/19/774233419.db2.gz RZULVXYKRCSRLT-HTAVTVPLSA-N 0 0 305.396 0.769 10 0 DCAERN O=C(c1cccc(Br)n1)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396927568 939097523 /nfs/dbraw/zinc/09/75/23/939097523.db2.gz MXUTVTIKKXEMFQ-WCBMZHEXSA-N 0 0 315.167 0.659 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])C1 ZINC000690831710 976338133 /nfs/dbraw/zinc/33/81/33/976338133.db2.gz PZPUCUYBFXKHOG-MNOVXSKESA-N 0 0 322.452 0.160 10 0 DCAERN CSCC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000697123122 976831474 /nfs/dbraw/zinc/83/14/74/976831474.db2.gz NBFPSKDUQUXQOM-SECBINFHSA-N 0 0 300.384 0.722 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(C)o1 ZINC000081782800 192323246 /nfs/dbraw/zinc/32/32/46/192323246.db2.gz MNUNRMBZPJCISG-IUCAKERBSA-N 0 0 316.379 0.746 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408004487 290616695 /nfs/dbraw/zinc/61/66/95/290616695.db2.gz XXEHQNPGWJAQOS-NWDGAFQWSA-N 0 0 317.393 0.803 10 0 DCAERN O=C([C@@H]1C[C@H]1C1CC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000328637220 231275295 /nfs/dbraw/zinc/27/52/95/231275295.db2.gz OLYZKFHIQANFNU-QWHCGFSZSA-N 0 0 312.377 0.819 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1C[C@@H]1C ZINC000087899865 185236226 /nfs/dbraw/zinc/23/62/26/185236226.db2.gz UHFMTHGETBLDHR-YUMQZZPRSA-N 0 0 314.363 0.489 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)O2)n(C)n1 ZINC000190142056 529539580 /nfs/dbraw/zinc/53/95/80/529539580.db2.gz CQMZCAZHXLWMFX-NSHDSACASA-N 0 0 308.382 0.995 10 0 DCAERN C[C@@H]1CC[C@H](C)CN1C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088694422 185262362 /nfs/dbraw/zinc/26/23/62/185262362.db2.gz IHFUZIOBQJGBPH-WDEREUQCSA-N 0 0 314.411 0.345 10 0 DCAERN Cn1cnc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000092531677 185324637 /nfs/dbraw/zinc/32/46/37/185324637.db2.gz ROLYMEFLFLVRBQ-LLVKDONJSA-N 0 0 323.422 0.523 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N(CC)CC)CCO2)[nH]1 ZINC000173739471 529701167 /nfs/dbraw/zinc/70/11/67/529701167.db2.gz ARESACDZGYZPNF-JTQLQIEISA-N 0 0 317.415 0.327 10 0 DCAERN Cn1cc(CN2CCO[C@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000092594669 185328309 /nfs/dbraw/zinc/32/83/09/185328309.db2.gz IPNNIKQTZYFLEO-LBPRGKRZSA-N 0 0 321.402 0.719 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092837131 185345186 /nfs/dbraw/zinc/34/51/86/185345186.db2.gz WGEUEBIZZMWTDZ-MNOVXSKESA-N 0 0 319.365 0.709 10 0 DCAERN CC(C)COC(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000181450808 199298575 /nfs/dbraw/zinc/29/85/75/199298575.db2.gz RPGRVFVZOZHTCB-UHFFFAOYSA-N 0 0 318.381 0.446 10 0 DCAERN CCC(CC)n1nc(C)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000181599593 199324944 /nfs/dbraw/zinc/32/49/44/199324944.db2.gz UMRNZNDNPSSYID-ZDUSSCGKSA-N 0 0 308.382 0.879 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000286649639 219103800 /nfs/dbraw/zinc/10/38/00/219103800.db2.gz CQRXFRCRVNQNEE-OCCSQVGLSA-N 0 0 316.336 0.839 10 0 DCAERN CN1C[C@H](NC(=O)NCCC(=O)N2CCCCC2)CCC1=O ZINC000172351135 529828589 /nfs/dbraw/zinc/82/85/89/529828589.db2.gz BOVWOJZMADRZHQ-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCN1CCOCC1(C)C ZINC000179272009 529902401 /nfs/dbraw/zinc/90/24/01/529902401.db2.gz CVYXXNYAOGJDCU-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000178847470 529920548 /nfs/dbraw/zinc/92/05/48/529920548.db2.gz XUAZIVAZJQSAEO-CYBMUJFWSA-N 0 0 316.361 0.503 10 0 DCAERN COC[C@@H](C)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000103392854 185449857 /nfs/dbraw/zinc/44/98/57/185449857.db2.gz FENRDSJVKPQHCF-GFCCVEGCSA-N 0 0 323.397 0.902 10 0 DCAERN CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCOC1 ZINC000106841615 185455234 /nfs/dbraw/zinc/45/52/34/185455234.db2.gz WTBBYVGJZGJDDL-ZDUSSCGKSA-N 0 0 324.402 0.988 10 0 DCAERN CCC1(CC)CN(C(=O)C2(NC(N)=O)CC2)CC[S@]1=O ZINC000408276325 282356890 /nfs/dbraw/zinc/35/68/90/282356890.db2.gz GYFSSTHMSACMJK-FQEVSTJZSA-N 0 0 301.412 0.337 10 0 DCAERN O=C(N[C@@H]1CCCOCC1)N1CCN(c2cccnn2)CC1 ZINC000181814932 199356047 /nfs/dbraw/zinc/35/60/47/199356047.db2.gz WGAWAMJWAXLEDZ-CYBMUJFWSA-N 0 0 305.382 0.877 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)CCc1ccccc1 ZINC000074775065 545671705 /nfs/dbraw/zinc/67/17/05/545671705.db2.gz NMMMKJCCSSOUQF-OAHLLOKOSA-N 0 0 312.435 0.821 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCNC(=O)N(C)C)cc1 ZINC000279825865 215179159 /nfs/dbraw/zinc/17/91/59/215179159.db2.gz KJNLXKUVXQPHNP-UHFFFAOYSA-N 0 0 306.366 0.670 10 0 DCAERN C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCS1 ZINC000408067042 290872704 /nfs/dbraw/zinc/87/27/04/290872704.db2.gz INLZWJHOYARBKS-VIFPVBQESA-N 0 0 313.466 0.331 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCSC3)C2)cn1 ZINC000287077545 219299722 /nfs/dbraw/zinc/29/97/22/219299722.db2.gz UTZSMTFOYILNFM-PWSUYJOCSA-N 0 0 308.407 0.358 10 0 DCAERN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@](O)(CO)CC1 ZINC000072133795 191044638 /nfs/dbraw/zinc/04/46/38/191044638.db2.gz HPBTZDQEUMGFPG-INIZCTEOSA-N 0 0 320.345 0.330 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171063425 197873265 /nfs/dbraw/zinc/87/32/65/197873265.db2.gz OBCHGIQDZZGWAQ-JSGCOSHPSA-N 0 0 313.357 0.583 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CN(C)C(=O)c1cccs1 ZINC000171487614 186167716 /nfs/dbraw/zinc/16/77/16/186167716.db2.gz ZHDAGODASVAKNY-JTQLQIEISA-N 0 0 309.391 0.557 10 0 DCAERN CC[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000177851353 186193598 /nfs/dbraw/zinc/19/35/98/186193598.db2.gz UGLQLYWOFWENCG-OLZOCXBDSA-N 0 0 307.398 0.906 10 0 DCAERN CCn1nc(C)c(C(=O)NC[C@H]2CN(C)CCO2)c1Cl ZINC000173338339 186178106 /nfs/dbraw/zinc/17/81/06/186178106.db2.gz QNUCZCAKMHJNPA-JTQLQIEISA-N 0 0 300.790 0.925 10 0 DCAERN CN(Cc1nc(N)nc(N)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000173372201 186180829 /nfs/dbraw/zinc/18/08/29/186180829.db2.gz YRFGVTMTWJNFJV-NSHDSACASA-N 0 0 313.365 0.273 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000179728974 186211309 /nfs/dbraw/zinc/21/13/09/186211309.db2.gz CNDDHIKAIHFMFC-VIFPVBQESA-N 0 0 312.757 0.120 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H](n2cncn2)C1 ZINC000171702499 197969662 /nfs/dbraw/zinc/96/96/62/197969662.db2.gz UEQKUGOFRZFSCZ-NEPJUHHUSA-N 0 0 322.413 0.928 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171705826 197969799 /nfs/dbraw/zinc/96/97/99/197969799.db2.gz OIPHHNYKICUUCF-LLVKDONJSA-N 0 0 313.361 0.971 10 0 DCAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2ccccc2)c1 ZINC000172271384 198068990 /nfs/dbraw/zinc/06/89/90/198068990.db2.gz HQRFRFWRAPQALB-UHFFFAOYSA-N 0 0 315.377 0.921 10 0 DCAERN CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172348935 198083345 /nfs/dbraw/zinc/08/33/45/198083345.db2.gz VAXHVSXKRIUCRF-VXGBXAGGSA-N 0 0 303.366 0.182 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700885 198138401 /nfs/dbraw/zinc/13/84/01/198138401.db2.gz HDNNRNMAKFMLIK-HZPDHXFCSA-N 0 0 321.421 0.782 10 0 DCAERN O=c1c2nnc3c(-c4ccccc4)cnn3c2ncn1CCO ZINC000072449735 191170355 /nfs/dbraw/zinc/17/03/55/191170355.db2.gz JTTNWRCDESSNRB-UHFFFAOYSA-N 0 0 308.301 0.494 10 0 DCAERN COC(=O)Cc1nn(-c2ccccc2)c2c1nnc1ncnn12 ZINC000072461522 191173448 /nfs/dbraw/zinc/17/34/48/191173448.db2.gz BYCMUAMYILWGFV-UHFFFAOYSA-N 0 0 309.289 0.574 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnc(-c2ccncc2)s1 ZINC000178563361 295846230 /nfs/dbraw/zinc/84/62/30/295846230.db2.gz OVMHZPOQTIXKTC-VIFPVBQESA-N 0 0 316.342 0.740 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(N)nc(N)n1 ZINC000173211240 198195930 /nfs/dbraw/zinc/19/59/30/198195930.db2.gz DYKNVOFXFQYZJU-GUBZILKMSA-N 0 0 306.370 0.342 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173435217 198214991 /nfs/dbraw/zinc/21/49/91/198214991.db2.gz CHQOBXZDWMAEJM-GFCCVEGCSA-N 0 0 308.386 0.397 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]nc2C)ncn1 ZINC000173446163 198215743 /nfs/dbraw/zinc/21/57/43/198215743.db2.gz HCFZDLMMACNSQD-NSHDSACASA-N 0 0 315.381 0.949 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000173399405 198210923 /nfs/dbraw/zinc/21/09/23/198210923.db2.gz MVBHELLNNWXDEP-CQSZACIVSA-N 0 0 321.425 0.921 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)NCc1noc(C)n1 ZINC000173560352 198226985 /nfs/dbraw/zinc/22/69/85/198226985.db2.gz PEDVXUMDNUJOJW-LLVKDONJSA-N 0 0 306.322 0.919 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173801373 198253805 /nfs/dbraw/zinc/25/38/05/198253805.db2.gz NEGRTSNXJCGMKB-SMDDNHRTSA-N 0 0 306.410 0.830 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)C2CC2)ncn1 ZINC000173901325 198266224 /nfs/dbraw/zinc/26/62/24/198266224.db2.gz YOVBBRFIEXURRX-SNVBAGLBSA-N 0 0 311.411 0.569 10 0 DCAERN CN(C)c1ncc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)cn1 ZINC000182086971 199384020 /nfs/dbraw/zinc/38/40/20/199384020.db2.gz CZCPGGLWUOJJSL-MRVPVSSYSA-N 0 0 307.276 0.930 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CSC(=O)N3)C2)no1 ZINC000174607385 198358581 /nfs/dbraw/zinc/35/85/81/198358581.db2.gz MYPFAKAXTHNJGC-ZJUUUORDSA-N 0 0 310.379 0.984 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)c2cnn(C)c2)C1 ZINC000174756675 198379966 /nfs/dbraw/zinc/37/99/66/198379966.db2.gz CMPLPQKCFBTFPY-HNNXBMFYSA-N 0 0 323.441 0.329 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000174816025 198388574 /nfs/dbraw/zinc/38/85/74/198388574.db2.gz XIWMQXVINSOHIO-QJPTWQEYSA-N 0 0 306.366 0.689 10 0 DCAERN C[C@H](CNC(=O)NC[C@@](C)(O)c1ccco1)N1CCOCC1 ZINC000175006893 198414764 /nfs/dbraw/zinc/41/47/64/198414764.db2.gz GVWRAAVLRWCEAZ-IUODEOHRSA-N 0 0 311.382 0.507 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)C1 ZINC000408064376 283019903 /nfs/dbraw/zinc/01/99/03/283019903.db2.gz UKFPOUHPADUFKV-KFWWJZLASA-N 0 0 308.353 0.791 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@H]21 ZINC000285778544 283026244 /nfs/dbraw/zinc/02/62/44/283026244.db2.gz MWPGMSYUFMZNMS-OLZOCXBDSA-N 0 0 319.365 0.117 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000182732561 199482338 /nfs/dbraw/zinc/48/23/38/199482338.db2.gz GUAFUXKGHFWVDV-IUCAKERBSA-N 0 0 319.287 0.242 10 0 DCAERN Fc1cnc(N2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)nc1 ZINC000097954365 283035709 /nfs/dbraw/zinc/03/57/09/283035709.db2.gz CGGUUCJHSJCYMD-YUELXQCFSA-N 0 0 322.384 0.789 10 0 DCAERN O=c1[nH]nc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn21 ZINC000073666046 191338739 /nfs/dbraw/zinc/33/87/39/191338739.db2.gz AKFDFILNEZGEIZ-UHFFFAOYSA-N 0 0 314.324 0.883 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408238267 291062363 /nfs/dbraw/zinc/06/23/63/291062363.db2.gz UCAZAZHXIGHWTQ-MNOVXSKESA-N 0 0 308.400 0.224 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076099722 191580043 /nfs/dbraw/zinc/58/00/43/191580043.db2.gz OLVYAHFVOBEWGS-UFBFGSQYSA-N 0 0 300.322 0.434 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000080807856 192193089 /nfs/dbraw/zinc/19/30/89/192193089.db2.gz PHBNLPMBLUMMRM-GFCCVEGCSA-N 0 0 305.444 0.101 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000081073385 192222116 /nfs/dbraw/zinc/22/21/16/192222116.db2.gz NMTWBYDDDKLVOG-RYUDHWBXSA-N 0 0 314.411 0.910 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000177603808 198750477 /nfs/dbraw/zinc/75/04/77/198750477.db2.gz WQYVMFIIFASENH-QWHCGFSZSA-N 0 0 317.393 0.878 10 0 DCAERN C[C@@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)C[C@H](O)CO ZINC000177687348 198761069 /nfs/dbraw/zinc/76/10/69/198761069.db2.gz GVZDTIIAZDLCGH-CMPLNLGQSA-N 0 0 311.363 0.096 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNC(=O)CNC(=O)c1ccccn1 ZINC000178872771 198944474 /nfs/dbraw/zinc/94/44/74/198944474.db2.gz HJXPWKGMCNZBDW-CQSZACIVSA-N 0 0 307.394 0.971 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000329551730 283278897 /nfs/dbraw/zinc/27/88/97/283278897.db2.gz ANUNJKCGAYDPQQ-VIFPVBQESA-N 0 0 310.354 0.891 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000061145408 304067509 /nfs/dbraw/zinc/06/75/09/304067509.db2.gz OCAZJPHBSHSCOX-UHFFFAOYSA-N 0 0 319.427 0.200 10 0 DCAERN COCCN1CCN(C(=O)NCc2cnn(C)c2C)C[C@@H]1C ZINC000179352402 199020224 /nfs/dbraw/zinc/02/02/24/199020224.db2.gz LXXIFIORTSCBPQ-LBPRGKRZSA-N 0 0 309.414 0.591 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000180241204 199135609 /nfs/dbraw/zinc/13/56/09/199135609.db2.gz INOCFXSWUMUPBQ-GJZGRUSLSA-N 0 0 308.378 0.011 10 0 DCAERN C[C@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)N1CCOCC1 ZINC000180322939 199145450 /nfs/dbraw/zinc/14/54/50/199145450.db2.gz ZKPUVOYLXQFLPT-OLZOCXBDSA-N 0 0 309.414 0.843 10 0 DCAERN COC[C@@H](C)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180447268 199160452 /nfs/dbraw/zinc/16/04/52/199160452.db2.gz OZHBXZMMLSBZIT-JTQLQIEISA-N 0 0 317.349 0.809 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)NC(=O)NCC(F)(F)F)c1=O ZINC000180405728 199154253 /nfs/dbraw/zinc/15/42/53/199154253.db2.gz NGSVMRDILNVQMN-UHFFFAOYSA-N 0 0 323.275 0.188 10 0 DCAERN CCC[C@@H]1C[C@@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000180667534 199193021 /nfs/dbraw/zinc/19/30/21/199193021.db2.gz PZXUHKRBKRYGSM-WDEREUQCSA-N 0 0 309.366 0.618 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000180865328 199221299 /nfs/dbraw/zinc/22/12/99/199221299.db2.gz LACZGXHIRPWARU-OAHLLOKOSA-N 0 0 303.406 0.802 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(Cl)cn2)O1 ZINC000180940000 199231506 /nfs/dbraw/zinc/23/15/06/199231506.db2.gz PRTKCOVYGPXNRE-WDEREUQCSA-N 0 0 312.757 0.567 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000155776854 237044349 /nfs/dbraw/zinc/04/43/49/237044349.db2.gz MVCFWEGSHQSWLQ-GHMZBOCLSA-N 0 0 304.350 0.441 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159202315 237073712 /nfs/dbraw/zinc/07/37/12/237073712.db2.gz UUMYDOJIEKPFHE-MNOVXSKESA-N 0 0 307.354 0.272 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC(C)(C)[C@H](C)O)CC1 ZINC000163050242 237112395 /nfs/dbraw/zinc/11/23/95/237112395.db2.gz JKGPZTRPVAGCQO-JTQLQIEISA-N 0 0 306.428 0.324 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)C(C)(C)OC)CC1 ZINC000170999444 237129578 /nfs/dbraw/zinc/12/95/78/237129578.db2.gz RXJGTZRMZWOZPG-UHFFFAOYSA-N 0 0 306.428 0.684 10 0 DCAERN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@](C)(O)C1 ZINC000175441390 237182977 /nfs/dbraw/zinc/18/29/77/237182977.db2.gz JFWHRBDUTVGQRL-CQSZACIVSA-N 0 0 302.338 0.959 10 0 DCAERN NC(=O)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000174926104 237176314 /nfs/dbraw/zinc/17/63/14/237176314.db2.gz DYJHSJYMHKWBQH-ZIAGYGMSSA-N 0 0 324.425 0.289 10 0 DCAERN O=C(NCc1nccn1CCc1ccccc1)[C@H]1CNC(=O)C1 ZINC000176496819 237197058 /nfs/dbraw/zinc/19/70/58/237197058.db2.gz HJQDFAQUKIUFID-CQSZACIVSA-N 0 0 312.373 0.878 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000179383445 237249555 /nfs/dbraw/zinc/24/95/55/237249555.db2.gz WYDDFGHWBLMLSJ-JTQLQIEISA-N 0 0 310.354 0.371 10 0 DCAERN COc1cccc(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000187185572 200073388 /nfs/dbraw/zinc/07/33/88/200073388.db2.gz PVNQRYFJNHFQEK-CHWSQXEVSA-N 0 0 303.362 0.902 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)c2cc(C(N)=O)cn2C)n1 ZINC000186648011 237322545 /nfs/dbraw/zinc/32/25/45/237322545.db2.gz XTSCEOUQAAGSPI-SECBINFHSA-N 0 0 305.338 0.780 10 0 DCAERN COCCn1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)n1 ZINC000188829095 237381071 /nfs/dbraw/zinc/38/10/71/237381071.db2.gz CWDKDPFIXFERKW-LBPRGKRZSA-N 0 0 311.386 0.060 10 0 DCAERN CNC(=O)CC(=O)N(C)Cc1cc(Br)cn1C ZINC000188103272 200193846 /nfs/dbraw/zinc/19/38/46/200193846.db2.gz VLLBORAKWFWFFH-UHFFFAOYSA-N 0 0 302.172 0.882 10 0 DCAERN C[C@H](O)CN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@@H](C)CO ZINC000193496076 237484451 /nfs/dbraw/zinc/48/44/51/237484451.db2.gz MXFGVLVLYIHEFN-QWRGUYRKSA-N 0 0 319.361 0.697 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1(C)C ZINC000153722678 291208226 /nfs/dbraw/zinc/20/82/26/291208226.db2.gz IEWYEZLYYDTCLB-SDDRHHMPSA-N 0 0 316.423 0.388 10 0 DCAERN CC(C)N(CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000153972554 291209870 /nfs/dbraw/zinc/20/98/70/291209870.db2.gz HHHHGNXIZWOEAK-AWEZNQCLSA-N 0 0 316.442 0.732 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000154571283 291214803 /nfs/dbraw/zinc/21/48/03/291214803.db2.gz RNQQUZPQAFTMNX-LBPRGKRZSA-N 0 0 309.366 0.440 10 0 DCAERN COCCN(CC(=O)N(C)C)Cc1nsc(N(C)C)n1 ZINC000156181863 291223636 /nfs/dbraw/zinc/22/36/36/291223636.db2.gz YRJRZMOOROFNLE-UHFFFAOYSA-N 0 0 301.416 0.141 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC000157077512 291226905 /nfs/dbraw/zinc/22/69/05/291226905.db2.gz OLEPVYOXLGDMDI-MNOVXSKESA-N 0 0 304.412 0.327 10 0 DCAERN O=C(CCC(=O)NC1CCCC1)NCCCN1CCCC1=O ZINC000157480685 291228765 /nfs/dbraw/zinc/22/87/65/291228765.db2.gz MWZJSMIXJFHBHY-UHFFFAOYSA-N 0 0 309.410 0.954 10 0 DCAERN CC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000157789740 291229706 /nfs/dbraw/zinc/22/97/06/291229706.db2.gz MDAMCKYKRZMIRK-RNJOBUHISA-N 0 0 306.428 0.888 10 0 DCAERN COc1cccc(CNC(=O)c2c(C)c(C)nn(C)c2=O)n1 ZINC000162336022 291243389 /nfs/dbraw/zinc/24/33/89/291243389.db2.gz AUNNINYUEUHHDY-UHFFFAOYSA-N 0 0 302.334 0.731 10 0 DCAERN CCC[C@@H](C(=O)NCCCN(CC)S(C)(=O)=O)[NH+](C)C ZINC000161696404 291242295 /nfs/dbraw/zinc/24/22/95/291242295.db2.gz ACTNDKIDWFPLAS-LBPRGKRZSA-N 0 0 307.460 0.505 10 0 DCAERN CCOCCOCC(=O)Nc1cncc(-c2nncn2C)c1 ZINC000162624997 291244564 /nfs/dbraw/zinc/24/45/64/291244564.db2.gz NFWFTXDZVILHMW-UHFFFAOYSA-N 0 0 305.338 0.869 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(N)=O ZINC000371978677 299327688 /nfs/dbraw/zinc/32/76/88/299327688.db2.gz IYJVJGRMSHAECU-NSHDSACASA-N 0 0 303.428 0.741 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C1CCOCC1 ZINC000132955924 299327961 /nfs/dbraw/zinc/32/79/61/299327961.db2.gz VUKLTUWVEUSOIN-UTUOFQBUSA-N 0 0 306.428 0.745 10 0 DCAERN COC[C@H]1NC(=O)N(Cc2ccc(Cn3ccnc3)cc2)C1=O ZINC000569426088 541323797 /nfs/dbraw/zinc/32/37/97/541323797.db2.gz RTZIWOOQCFWYSS-CQSZACIVSA-N 0 0 314.345 0.998 10 0 DCAERN CC(=O)c1cn(CC(=O)N2Cc3ccccc3NC(=O)C2)nn1 ZINC000566464810 291305149 /nfs/dbraw/zinc/30/51/49/291305149.db2.gz KHBILXAPZDMXPG-UHFFFAOYSA-N 0 0 313.317 0.462 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](O)CC[C@H]2C)C1 ZINC000422005398 240120789 /nfs/dbraw/zinc/12/07/89/240120789.db2.gz LJTBBIQDWGLHDH-FRRDWIJNSA-N 0 0 318.439 0.420 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)[C@@H](C)OC ZINC000567157261 291339530 /nfs/dbraw/zinc/33/95/30/291339530.db2.gz UFAGWZOZRIZOOJ-CHWFTXMASA-N 0 0 317.386 0.165 10 0 DCAERN CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1c(Cl)cnn1C ZINC000429860703 240379372 /nfs/dbraw/zinc/37/93/72/240379372.db2.gz NNRGIQBCQPIMEJ-WPRPVWTQSA-N 0 0 307.803 0.855 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000281888244 216611504 /nfs/dbraw/zinc/61/15/04/216611504.db2.gz DRQKYDQEAAVHDK-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CCN1CCOCC1 ZINC000451667078 240678159 /nfs/dbraw/zinc/67/81/59/240678159.db2.gz WFLYGNTZUBGHOP-UHFFFAOYSA-N 0 0 319.405 0.636 10 0 DCAERN COC(=O)CCN1CCN(C(=O)NCc2ccnn2C)[C@H](C)C1 ZINC000091601648 193078537 /nfs/dbraw/zinc/07/85/37/193078537.db2.gz BVCQETGIPWUWCN-GFCCVEGCSA-N 0 0 323.397 0.199 10 0 DCAERN CCOc1ccc(CCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091778886 193105757 /nfs/dbraw/zinc/10/57/57/193105757.db2.gz QMOGQMHUVZZZAF-AWEZNQCLSA-N 0 0 306.362 0.731 10 0 DCAERN Cc1ccccc1OCCCC(=O)N1CCOC[C@H]1C(N)=O ZINC000091781005 193107141 /nfs/dbraw/zinc/10/71/41/193107141.db2.gz WRJKZBUVYZTDRS-ZDUSSCGKSA-N 0 0 306.362 0.867 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000091783451 193107558 /nfs/dbraw/zinc/10/75/58/193107558.db2.gz SDGCXDHTAUHHLW-CQSZACIVSA-N 0 0 314.345 0.258 10 0 DCAERN CCn1cc(CC(=O)N2CCOC[C@H]2C(N)=O)c2ccccc21 ZINC000091783903 193107732 /nfs/dbraw/zinc/10/77/32/193107732.db2.gz XMWQXWZDJZTDDH-HNNXBMFYSA-N 0 0 315.373 0.916 10 0 DCAERN CCCN(CC)c1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cn1 ZINC000091810829 193111603 /nfs/dbraw/zinc/11/16/03/193111603.db2.gz WXEAJLIDWNIAAH-ZDUSSCGKSA-N 0 0 320.393 0.644 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)c2ccc[nH]2)CC1 ZINC000454205698 240774160 /nfs/dbraw/zinc/77/41/60/240774160.db2.gz FTLOEPHZWKWWDZ-UHFFFAOYSA-N 0 0 307.350 0.293 10 0 DCAERN CNC(=O)C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000455467786 240849819 /nfs/dbraw/zinc/84/98/19/240849819.db2.gz QJLKAHDQATUMPO-YPMHNXCESA-N 0 0 318.377 0.616 10 0 DCAERN CCS(=O)(=O)C1CN(C(=O)Cn2ncc3ccccc32)C1 ZINC000456286517 240897012 /nfs/dbraw/zinc/89/70/12/240897012.db2.gz GPUGRAZIYWLFFJ-UHFFFAOYSA-N 0 0 307.375 0.682 10 0 DCAERN O=C(NCc1ccccc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000457408574 241001200 /nfs/dbraw/zinc/00/12/00/241001200.db2.gz MXEYEWQJDMYAOH-LLVKDONJSA-N 0 0 309.757 0.792 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)NCC1(c2ccccc2)CC1 ZINC000457560456 241014469 /nfs/dbraw/zinc/01/44/69/241014469.db2.gz IGWDGWUIMZNNMH-CQSZACIVSA-N 0 0 315.377 0.670 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000493711846 241150182 /nfs/dbraw/zinc/15/01/82/241150182.db2.gz USJXPMSETHKAHQ-QWRGUYRKSA-N 0 0 321.377 0.741 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000375439785 291382452 /nfs/dbraw/zinc/38/24/52/291382452.db2.gz VBRVSWKOLFHVLW-DYEKYZERSA-N 0 0 317.407 0.770 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C ZINC000368240861 291411678 /nfs/dbraw/zinc/41/16/78/291411678.db2.gz DVNTYZVVOXLZMU-XHJNMGKDSA-N 0 0 311.378 0.696 10 0 DCAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000092228980 193176164 /nfs/dbraw/zinc/17/61/64/193176164.db2.gz MLJQYKFAHHAZFY-GFCCVEGCSA-N 0 0 311.769 0.855 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282113686 216752448 /nfs/dbraw/zinc/75/24/48/216752448.db2.gz JCUZRVOFFYUUTR-WFASDCNBSA-N 0 0 320.389 0.791 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000376159473 291441779 /nfs/dbraw/zinc/44/17/79/291441779.db2.gz VXTMIVOSQMCVJU-RNJOBUHISA-N 0 0 309.362 0.782 10 0 DCAERN O=C(NC[C@H]1CCCCO1)C(=O)Nc1ccc2nccn2c1 ZINC000568861537 291449755 /nfs/dbraw/zinc/44/97/55/291449755.db2.gz NFUDIUSFAVSVNH-GFCCVEGCSA-N 0 0 302.334 0.958 10 0 DCAERN COC(=O)c1sccc1NC(=O)CSC[C@H](O)CO ZINC000093958842 193331734 /nfs/dbraw/zinc/33/17/34/193331734.db2.gz BEJZVPXACBDXPA-SSDOTTSWSA-N 0 0 305.377 0.560 10 0 DCAERN COC(=O)c1sccc1NC(=O)CSC[C@@H](O)CO ZINC000093958843 193331894 /nfs/dbraw/zinc/33/18/94/193331894.db2.gz BEJZVPXACBDXPA-ZETCQYMHSA-N 0 0 305.377 0.560 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@H](c2nccs2)C1 ZINC000264747988 204124669 /nfs/dbraw/zinc/12/46/69/204124669.db2.gz LZYIMPZZAQGTLV-JTQLQIEISA-N 0 0 319.408 0.093 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1nncn1C1CC1 ZINC000264834173 204193689 /nfs/dbraw/zinc/19/36/89/204193689.db2.gz ZUXSQQACTJMOSU-SNVBAGLBSA-N 0 0 309.395 0.541 10 0 DCAERN NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000013283528 181841503 /nfs/dbraw/zinc/84/15/03/181841503.db2.gz ZPJMMISCPNTYNE-UHFFFAOYSA-N 0 0 310.321 0.295 10 0 DCAERN O=C(c1cc(N2CCCC2)ccn1)N1CCN2CCOC[C@H]2C1 ZINC000377053684 296182526 /nfs/dbraw/zinc/18/25/26/296182526.db2.gz URQXFGSIPXGRRE-OAHLLOKOSA-N 0 0 316.405 0.838 10 0 DCAERN Cc1ccc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1C(N)=O ZINC000282661165 217160353 /nfs/dbraw/zinc/16/03/53/217160353.db2.gz GTGSCPQCWOUMLZ-SNVBAGLBSA-N 0 0 304.350 0.788 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000282709552 217192518 /nfs/dbraw/zinc/19/25/18/217192518.db2.gz YLLVWEVCNMTDNC-BQBZGAKWSA-N 0 0 306.775 0.019 10 0 DCAERN Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CSC1(C)C)CCC2 ZINC000282745007 217221363 /nfs/dbraw/zinc/22/13/63/217221363.db2.gz GHKGJNBLYITSBK-SNVBAGLBSA-N 0 0 308.407 0.858 10 0 DCAERN COc1nccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000282796110 217256397 /nfs/dbraw/zinc/25/63/97/217256397.db2.gz YWSBBERXLLVLJP-UHFFFAOYSA-N 0 0 314.367 0.526 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266186109 205167514 /nfs/dbraw/zinc/16/75/14/205167514.db2.gz HADDFWKNRYFYNP-NSHDSACASA-N 0 0 300.384 0.363 10 0 DCAERN Cc1ccc(Cl)cc1N1CCN(CC(=O)NC(N)=O)CC1 ZINC000016551294 182049267 /nfs/dbraw/zinc/04/92/67/182049267.db2.gz GAIURZUUAVKJQP-UHFFFAOYSA-N 0 0 310.785 0.965 10 0 DCAERN Cc1noc(C)c1NC(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000288449834 220148765 /nfs/dbraw/zinc/14/87/65/220148765.db2.gz FTLXECOOYXLDGI-HNNXBMFYSA-N 0 0 323.349 0.638 10 0 DCAERN Cc1cnc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 ZINC000023445763 182361606 /nfs/dbraw/zinc/36/16/06/182361606.db2.gz UWBJDDBFGUAEJU-SNVBAGLBSA-N 0 0 320.374 0.923 10 0 DCAERN C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000330021455 296254578 /nfs/dbraw/zinc/25/45/78/296254578.db2.gz XVWMUHDZTQHVPG-DCAQKATOSA-N 0 0 302.396 0.271 10 0 DCAERN COC(=O)c1nc(NCCC(=O)N2CCOCC2)sc1C ZINC000125100790 284618837 /nfs/dbraw/zinc/61/88/37/284618837.db2.gz BECIAUIICQPQTP-UHFFFAOYSA-N 0 0 313.379 0.899 10 0 DCAERN CCNC(=O)Cn1c(CCNC(=O)COC)nc2ccccc21 ZINC000040299270 183052926 /nfs/dbraw/zinc/05/29/26/183052926.db2.gz ORRCPVYOCSPQMA-UHFFFAOYSA-N 0 0 318.377 0.478 10 0 DCAERN CNc1ncnc(NNS(=O)(=O)c2ccc(C)cc2)c1N ZINC000040707056 183121191 /nfs/dbraw/zinc/12/11/91/183121191.db2.gz KLUNASGIOXRUMD-UHFFFAOYSA-N 0 0 308.367 0.714 10 0 DCAERN COC(=O)c1cc(Nc2nc[nH]c(=O)c2N)cc(C(=O)OC)c1 ZINC000040705846 183120844 /nfs/dbraw/zinc/12/08/44/183120844.db2.gz XRWHTGQUFUKZIN-UHFFFAOYSA-N 0 0 318.289 0.669 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2F)CC1)N1CCOCC1 ZINC000041106182 183166040 /nfs/dbraw/zinc/16/60/40/183166040.db2.gz OFWPHIKQCACBQG-UHFFFAOYSA-N 0 0 321.396 0.802 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000105834477 194143421 /nfs/dbraw/zinc/14/34/21/194143421.db2.gz SHVFLWYERMFXLN-CHWSQXEVSA-N 0 0 314.430 0.263 10 0 DCAERN Cn1nccc1CNC(=O)NCCn1c(=O)oc2ccccc21 ZINC000106533621 194226687 /nfs/dbraw/zinc/22/66/87/194226687.db2.gz OXFXIAFCFUBUDR-UHFFFAOYSA-N 0 0 315.333 0.827 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1[C@H](C)CC(O)C[C@H]1C ZINC000191139265 291741814 /nfs/dbraw/zinc/74/18/14/291741814.db2.gz DZJFYGNYBYMYEF-BZPMIXESSA-N 0 0 314.426 0.924 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)NCCN1CCCS1(=O)=O ZINC000273583920 210891789 /nfs/dbraw/zinc/89/17/89/210891789.db2.gz LFKLNSCKYDAUMJ-UHFFFAOYSA-N 0 0 313.379 0.626 10 0 DCAERN O=C([C@H]1CCCN1c1nccs1)N1CCS(=O)(=O)CC1 ZINC000110695526 194350705 /nfs/dbraw/zinc/35/07/05/194350705.db2.gz UMVUASSSLAMWEP-SNVBAGLBSA-N 0 0 315.420 0.369 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083397 194390173 /nfs/dbraw/zinc/39/01/73/194390173.db2.gz TXZXVEFAIRIZNV-LSDHHAIUSA-N 0 0 323.393 0.696 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083400 194390329 /nfs/dbraw/zinc/39/03/29/194390329.db2.gz TXZXVEFAIRIZNV-CABCVRRESA-N 0 0 323.393 0.696 10 0 DCAERN O=C(CCCNC(=O)[C@H]1CNC(=O)C1)N1CCc2ccccc21 ZINC000111141082 194394682 /nfs/dbraw/zinc/39/46/82/194394682.db2.gz QGJNMLLFTYVALQ-CYBMUJFWSA-N 0 0 315.373 0.608 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000328760984 296318765 /nfs/dbraw/zinc/31/87/65/296318765.db2.gz XPQSDTKKKUTMFI-UPJWGTAASA-N 0 0 315.439 0.849 10 0 DCAERN Cc1ccc(C(=O)CN2CCN(S(C)(=O)=O)CC2)s1 ZINC000062085369 184205017 /nfs/dbraw/zinc/20/50/17/184205017.db2.gz AWRNQYKWWBALLS-UHFFFAOYSA-N 0 0 302.421 0.816 10 0 DCAERN COCCNC(=O)c1cc2c(s1)CCN2S(C)(=O)=O ZINC000063528254 184284834 /nfs/dbraw/zinc/28/48/34/184284834.db2.gz ANSUGPFFJBJJOP-UHFFFAOYSA-N 0 0 304.393 0.446 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000066773706 184430395 /nfs/dbraw/zinc/43/03/95/184430395.db2.gz JANBKFVGERBDTB-UHFFFAOYSA-N 0 0 303.322 0.734 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@H](F)C[C@@H]1CO ZINC000364623821 296336424 /nfs/dbraw/zinc/33/64/24/296336424.db2.gz OKLJHYLMFMOFGN-LPWJVIDDSA-N 0 0 315.389 0.796 10 0 DCAERN CC(C)[C@H](C)CNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000178799682 252609367 /nfs/dbraw/zinc/60/93/67/252609367.db2.gz DFHXJGQNJYQFOP-VXGBXAGGSA-N 0 0 305.444 0.859 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CCOC3)C2=O)n(C)n1 ZINC000178775224 252609687 /nfs/dbraw/zinc/60/96/87/252609687.db2.gz QCMVYKVUACPFTH-RYUDHWBXSA-N 0 0 321.381 0.312 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCC(=O)N(C)C)cc1F ZINC000179103604 252611229 /nfs/dbraw/zinc/61/12/29/252611229.db2.gz LUIIQONFJGVKIO-UHFFFAOYSA-N 0 0 309.341 0.921 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173167039 532969643 /nfs/dbraw/zinc/96/96/43/532969643.db2.gz JRGFWNZSQKKDLC-ZDUSSCGKSA-N 0 0 320.455 0.395 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)c2cn3ccnc3s2)C1 ZINC000333048496 252674667 /nfs/dbraw/zinc/67/46/67/252674667.db2.gz GNJXDSPYLHTIBK-UHFFFAOYSA-N 0 0 308.363 0.325 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCNC1=O ZINC000333732960 252757470 /nfs/dbraw/zinc/75/74/70/252757470.db2.gz QAPVBQDIJMEZCN-UWVGGRQHSA-N 0 0 306.370 0.253 10 0 DCAERN O=C1CO[C@H]2CCN(c3nccnc3OC(F)F)C[C@@H]2N1 ZINC000334036183 252786203 /nfs/dbraw/zinc/78/62/03/252786203.db2.gz NJEODWFDSOXCBW-YUMQZZPRSA-N 0 0 300.265 0.172 10 0 DCAERN COc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(O)c1 ZINC000286177382 218831756 /nfs/dbraw/zinc/83/17/56/218831756.db2.gz IFIIMFRRANMFKI-NEPJUHHUSA-N 0 0 305.334 0.639 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC2CCCCC2)[C@H](C)C1 ZINC000339492487 253093981 /nfs/dbraw/zinc/09/39/81/253093981.db2.gz JYRVNJDMOSUXEV-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)C[C@H](C)O1 ZINC000340596676 253281704 /nfs/dbraw/zinc/28/17/04/253281704.db2.gz OWBXTBZTHJLHOX-YIZRAAEISA-N 0 0 320.333 0.243 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)C[C@H](C)O ZINC000340914192 253322185 /nfs/dbraw/zinc/32/21/85/253322185.db2.gz WBUYVDAFVKSLKZ-MNOVXSKESA-N 0 0 321.377 0.883 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N2C[C@H](F)C[C@@H]2CO)s1 ZINC000344757277 253828292 /nfs/dbraw/zinc/82/82/92/253828292.db2.gz GWRTVTGBPQFEAM-HTQZYQBOSA-N 0 0 323.371 0.195 10 0 DCAERN O=C1N[C@@H](c2cc(O)ccc2Br)N2CCOC[C@@H]12 ZINC000093884236 296388367 /nfs/dbraw/zinc/38/83/67/296388367.db2.gz NAGJCHFOPVPFPF-WDEREUQCSA-N 0 0 313.151 0.984 10 0 DCAERN COCc1cccc(CNC(=O)CN2C[C@@H](F)C[C@@H]2C(N)=O)c1 ZINC000346093504 254008943 /nfs/dbraw/zinc/00/89/43/254008943.db2.gz XMLAAXBCHRXWQU-UONOGXRCSA-N 0 0 323.368 0.347 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000105569964 220438090 /nfs/dbraw/zinc/43/80/90/220438090.db2.gz BAKSPQPWTAHPQZ-GFCCVEGCSA-N 0 0 306.362 0.948 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2C[C@H](CO)OC(C)(C)C2)C1 ZINC000163629335 220448280 /nfs/dbraw/zinc/44/82/80/220448280.db2.gz BSINPJHWYIVWBR-NWDGAFQWSA-N 0 0 306.428 0.435 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000347419326 254155217 /nfs/dbraw/zinc/15/52/17/254155217.db2.gz XATOILDIVYFBOZ-JTQLQIEISA-N 0 0 301.346 0.960 10 0 DCAERN O=C(Cn1ccc2ccccc2c1=O)N1C[C@@H](F)C[C@H]1CO ZINC000347427805 254156062 /nfs/dbraw/zinc/15/60/62/254156062.db2.gz COMYPQFFBKVQMH-STQMWFEESA-N 0 0 304.321 0.933 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000177435560 220454627 /nfs/dbraw/zinc/45/46/27/220454627.db2.gz ZZCJCLUXVZENSG-UKRRQHHQSA-N 0 0 304.390 0.917 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C)C1 ZINC000246230299 296395324 /nfs/dbraw/zinc/39/53/24/296395324.db2.gz SJKAAJJFKZKPSL-GHMZBOCLSA-N 0 0 310.441 0.082 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2C)c1 ZINC000351049676 254332906 /nfs/dbraw/zinc/33/29/06/254332906.db2.gz BSJDKUTZGKCPMR-QMTHXVAHSA-N 0 0 319.361 0.590 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1ccccc1Cl)S(N)(=O)=O ZINC000350616058 254319120 /nfs/dbraw/zinc/31/91/20/254319120.db2.gz NEDPXUBHOSOYFD-BDAKNGLRSA-N 0 0 320.798 0.901 10 0 DCAERN COc1ccc(Cl)cc1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350622177 254320105 /nfs/dbraw/zinc/32/01/05/254320105.db2.gz YJJFDICRSNPGTA-SSDOTTSWSA-N 0 0 306.771 0.755 10 0 DCAERN COc1ncc(C)cc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000189072830 533203115 /nfs/dbraw/zinc/20/31/15/533203115.db2.gz MHTXXNLCUMPSCX-LBPRGKRZSA-N 0 0 308.382 0.929 10 0 DCAERN Cn1cc(C(=O)N2C[C@@H]3CN(c4cccnc4)C(=O)[C@@H]3C2)cn1 ZINC000248139961 257108348 /nfs/dbraw/zinc/10/83/48/257108348.db2.gz PVRPIZQXGUILPC-TZMCWYRMSA-N 0 0 311.345 0.550 10 0 DCAERN Cn1cnc2c1[C@@H](C(=O)NCC1CC1)CN(c1ncccn1)C2 ZINC000248061894 257110715 /nfs/dbraw/zinc/11/07/15/257110715.db2.gz VAVRZAFDBBATJX-LBPRGKRZSA-N 0 0 312.377 0.840 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]2N1C ZINC000248065112 257111053 /nfs/dbraw/zinc/11/10/53/257111053.db2.gz VZAZRTXHPNRCNI-RWMBFGLXSA-N 0 0 307.419 0.568 10 0 DCAERN Cc1nnc(N2Cc3ncn(C)c3[C@H](C(=O)NC3CC3)C2)s1 ZINC000248016496 257111835 /nfs/dbraw/zinc/11/18/35/257111835.db2.gz GLXGEQDYKHSZEJ-SNVBAGLBSA-N 0 0 318.406 0.962 10 0 DCAERN CC(=O)N1C[C@H]2[C@@H](C1)C(=O)N(C)C21CCN(C(=O)C(C)C)CC1 ZINC000248039722 257111853 /nfs/dbraw/zinc/11/18/53/257111853.db2.gz NTCOQRRTUGGXNX-KGLIPLIRSA-N 0 0 321.421 0.570 10 0 DCAERN CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(S(=O)(=O)c2ccccc2)C1 ZINC000247956515 257113353 /nfs/dbraw/zinc/11/33/53/257113353.db2.gz OMLKRCQNDLQTHO-XBFCOCLRSA-N 0 0 324.402 0.601 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@H]21 ZINC000247934600 257114390 /nfs/dbraw/zinc/11/43/90/257114390.db2.gz GUSJBNUNJYAHPE-UONOGXRCSA-N 0 0 321.352 0.097 10 0 DCAERN CS(=O)(=O)N[C@@H]1CN(Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247519557 257119529 /nfs/dbraw/zinc/11/95/29/257119529.db2.gz KXLDJMWZKUOORW-RDBSUJKOSA-N 0 0 311.407 0.363 10 0 DCAERN C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(C)(=O)=O ZINC000247532274 257119816 /nfs/dbraw/zinc/11/98/16/257119816.db2.gz PBPXQVUGKAOWRR-NSHDSACASA-N 0 0 324.406 0.160 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)c2ccsc2)CC1 ZINC000556774735 288393341 /nfs/dbraw/zinc/39/33/41/288393341.db2.gz FXWBAGXXOSHMMK-UHFFFAOYSA-N 0 0 304.393 0.529 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)c2ccc(F)cc2)C1 ZINC000414210136 533394285 /nfs/dbraw/zinc/39/42/85/533394285.db2.gz TZGBEPFYFZEKBI-SNVBAGLBSA-N 0 0 321.395 0.881 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000174935910 533413226 /nfs/dbraw/zinc/41/32/26/533413226.db2.gz SZAKQVAPISGDFL-LLVKDONJSA-N 0 0 304.412 0.222 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CC3(C)C)C2)c1=O ZINC000275533273 130329937 /nfs/dbraw/zinc/32/99/37/130329937.db2.gz DWVPZEQCENQICI-NEPJUHHUSA-N 0 0 304.394 0.911 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3c2ncnc3N)CCS1 ZINC000277919918 130650070 /nfs/dbraw/zinc/65/00/70/130650070.db2.gz SSEPDILAZLTBOJ-SECBINFHSA-N 0 0 306.395 0.763 10 0 DCAERN Cn1cc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000284082900 131046687 /nfs/dbraw/zinc/04/66/87/131046687.db2.gz RFPNYBCJHCKZKM-UONOGXRCSA-N 0 0 307.398 0.077 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC[C@@H]3OCCN(C)[C@@H]3C2)[nH]1 ZINC000284222379 131060475 /nfs/dbraw/zinc/06/04/75/131060475.db2.gz CVWVIQGHTDHEII-CABCVRRESA-N 0 0 306.410 0.621 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230575 131061020 /nfs/dbraw/zinc/06/10/20/131061020.db2.gz VSMQUKGWIDYXHH-UONOGXRCSA-N 0 0 318.377 0.722 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCc2ccccc2C)C1 ZINC000284602563 131096285 /nfs/dbraw/zinc/09/62/85/131096285.db2.gz LMERQBQWRWBEKU-JKSUJKDBSA-N 0 0 306.406 0.735 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@H]3CCCCO3)C[C@@H]2C(N)=O)cn1 ZINC000284647314 131100118 /nfs/dbraw/zinc/10/01/18/131100118.db2.gz SEMXUUNQBUHWSZ-FRRDWIJNSA-N 0 0 306.366 0.017 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284931073 131123345 /nfs/dbraw/zinc/12/33/45/131123345.db2.gz JBCAOKLNKBWNFI-AWEZNQCLSA-N 0 0 322.390 0.494 10 0 DCAERN COc1cc(C)cc(CNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c1 ZINC000284977670 131128002 /nfs/dbraw/zinc/12/80/02/131128002.db2.gz RHGXCRUHTSUBTK-QGZVFWFLSA-N 0 0 320.389 0.993 10 0 DCAERN COc1cc(C)cc(CNC(=O)[C@]2(O)CCCN(C(C)=O)C2)c1 ZINC000284977663 131128131 /nfs/dbraw/zinc/12/81/31/131128131.db2.gz RHGXCRUHTSUBTK-KRWDZBQOSA-N 0 0 320.389 0.993 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(c2ncccn2)CC(C)(C)O1 ZINC000285048363 131134181 /nfs/dbraw/zinc/13/41/81/131134181.db2.gz OCBHEUPFENDJTH-GFCCVEGCSA-N 0 0 308.382 0.565 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285313802 131157147 /nfs/dbraw/zinc/15/71/47/131157147.db2.gz HRVUGLBYLJBRTH-CQDKDKBSSA-N 0 0 321.425 0.904 10 0 DCAERN COc1ncc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1Cl ZINC000285351659 131160084 /nfs/dbraw/zinc/16/00/84/131160084.db2.gz ABCXQCAWWYVXCL-APPZFPTMSA-N 0 0 301.705 0.782 10 0 DCAERN Cn1nccc1CC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285669482 131191777 /nfs/dbraw/zinc/19/17/77/131191777.db2.gz KPCOAMYCTDAECT-ZDUSSCGKSA-N 0 0 319.409 0.759 10 0 DCAERN C[C@@H](C(=O)NCC1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122351834 132163373 /nfs/dbraw/zinc/16/33/73/132163373.db2.gz CFGAZLAWSKUKJY-DYEKYZERSA-N 0 0 311.426 0.646 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173626213 285544031 /nfs/dbraw/zinc/54/40/31/285544031.db2.gz LOIMWNOVQMQAHR-VHSXEESVSA-N 0 0 308.386 0.499 10 0 DCAERN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC000117424059 134492540 /nfs/dbraw/zinc/49/25/40/134492540.db2.gz YXBDPCVLWZLOCM-LBPRGKRZSA-N 0 0 308.357 0.887 10 0 DCAERN CO[C@H]1O[C@H](COC(C)=O)[C@H](F)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022063778 395691695 /nfs/dbraw/zinc/69/16/95/395691695.db2.gz DMXZHMAFWXQZAQ-MOLYVOAJSA-N 0 0 322.285 0.122 10 0 DCAERN CC(C)n1nccc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000022292319 395691705 /nfs/dbraw/zinc/69/17/05/395691705.db2.gz TWBHSKKCVOSRLV-UHFFFAOYSA-N 0 0 315.337 0.546 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@H](O)C1 ZINC000085379737 395699740 /nfs/dbraw/zinc/69/97/40/395699740.db2.gz AUMMUIZWLNDQKS-QWRGUYRKSA-N 0 0 310.300 0.911 10 0 DCAERN CCn1nc(C)cc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000085683419 395701326 /nfs/dbraw/zinc/70/13/26/395701326.db2.gz SMQZWLDSNVGJMX-SNVBAGLBSA-N 0 0 300.384 0.105 10 0 DCAERN CCOCCn1cc(I)c(=O)[nH]c1=O ZINC000086788563 395704920 /nfs/dbraw/zinc/70/49/20/395704920.db2.gz AUTPNWAIWLVXTM-UHFFFAOYSA-N 0 0 310.091 0.178 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000089355668 395710608 /nfs/dbraw/zinc/71/06/08/395710608.db2.gz FHTSKDVZUOGEHY-VXGBXAGGSA-N 0 0 312.753 0.476 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)N3CC[C@@H](C)[C@H](O)C3)cnc12 ZINC000089400674 395710930 /nfs/dbraw/zinc/71/09/30/395710930.db2.gz LGGMEZKUZBFCCL-BXUZGUMPSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H]1O ZINC000089414253 395711262 /nfs/dbraw/zinc/71/12/62/395711262.db2.gz NCQSSHFYLKFTDC-STQMWFEESA-N 0 0 318.439 0.422 10 0 DCAERN COCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(C)=O)CC1 ZINC000036251544 395722960 /nfs/dbraw/zinc/72/29/60/395722960.db2.gz ZLNDMBKVXDAJJZ-OAHLLOKOSA-N 0 0 311.426 0.472 10 0 DCAERN CNC(=O)C1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000027966842 395695526 /nfs/dbraw/zinc/69/55/26/395695526.db2.gz YFYOLAVWHKNHGC-NSHDSACASA-N 0 0 303.428 0.421 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376233158 304312731 /nfs/dbraw/zinc/31/27/31/304312731.db2.gz YFGNNZQPPMDOIR-BFHYXJOUSA-N 0 0 311.378 0.936 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC[C@@H]1CCCO1 ZINC000037981798 395729897 /nfs/dbraw/zinc/72/98/97/395729897.db2.gz BFRVXRBWAJFGQT-VIFPVBQESA-N 0 0 317.367 0.434 10 0 DCAERN CCCN(CC(=O)OCC)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000038021559 395731004 /nfs/dbraw/zinc/73/10/04/395731004.db2.gz GPRJKJCIIDQQPC-TXEJJXNPSA-N 0 0 322.427 0.616 10 0 DCAERN NC(=O)c1c(F)cc(Br)cc1N1CCNC(=O)C1 ZINC000092826826 395733089 /nfs/dbraw/zinc/73/30/89/395733089.db2.gz OYDVCYCOUKXULQ-UHFFFAOYSA-N 0 0 316.130 0.623 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](C)[C@H](O)C3)cc12 ZINC000093052084 395735796 /nfs/dbraw/zinc/73/57/96/395735796.db2.gz MEZPALMCEVXCJV-NOZJJQNGSA-N 0 0 324.406 0.668 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975834 395740780 /nfs/dbraw/zinc/74/07/80/395740780.db2.gz BOFQJGOAJTUYSV-NXEZZACHSA-N 0 0 305.382 0.581 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000042817148 395749198 /nfs/dbraw/zinc/74/91/98/395749198.db2.gz UIYLREDFILBIOU-VIFPVBQESA-N 0 0 315.251 0.920 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CCO)cc1 ZINC000097444663 395758115 /nfs/dbraw/zinc/75/81/15/395758115.db2.gz RNAVCHTYCABQGS-JTQLQIEISA-N 0 0 300.380 0.343 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000106395969 395782740 /nfs/dbraw/zinc/78/27/40/395782740.db2.gz VIQMIGFYIYKLNC-GFCCVEGCSA-N 0 0 306.410 0.817 10 0 DCAERN COc1cc(Cc2c(N)[nH]c(N)nc2=O)cc(OC)c1OC ZINC000097975063 395761277 /nfs/dbraw/zinc/76/12/77/395761277.db2.gz LVHDAYVZBWCTEV-MRVPVSSYSA-N 0 0 306.322 0.083 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)n1 ZINC000270607518 395789022 /nfs/dbraw/zinc/78/90/22/395789022.db2.gz BYXUXEPEDRCVEC-VXGBXAGGSA-N 0 0 321.381 0.494 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000045811482 395766837 /nfs/dbraw/zinc/76/68/37/395766837.db2.gz HTSIFWCTAZEYKS-UFBFGSQYSA-N 0 0 311.363 0.702 10 0 DCAERN COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000046186233 395772564 /nfs/dbraw/zinc/77/25/64/395772564.db2.gz MNUFTUIUFYYNDN-CHWSQXEVSA-N 0 0 304.346 0.885 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)Nc2ccc(=O)n(C)c2)C[C@H](C)O1 ZINC000193697932 395777409 /nfs/dbraw/zinc/77/74/09/395777409.db2.gz RMSGXPMEEFGIGP-BETUJISGSA-N 0 0 322.409 0.958 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111229566 395803229 /nfs/dbraw/zinc/80/32/29/395803229.db2.gz CWJNNXLNHWGZDS-CQSZACIVSA-N 0 0 322.409 0.850 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)c2cc(C(N)=O)cn2C)C[C@H](C)O1 ZINC000194730983 395805426 /nfs/dbraw/zinc/80/54/26/395805426.db2.gz KZPQKHDNWCXIAE-TXEJJXNPSA-N 0 0 322.409 0.305 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000111339706 395807314 /nfs/dbraw/zinc/80/73/14/395807314.db2.gz AEYIMDASPHHHHJ-GFCCVEGCSA-N 0 0 302.400 0.380 10 0 DCAERN COCCCS(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111343906 395807767 /nfs/dbraw/zinc/80/77/67/395807767.db2.gz BXNNGQKAPNZQGZ-SNVBAGLBSA-N 0 0 306.409 0.883 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195058927 395815272 /nfs/dbraw/zinc/81/52/72/395815272.db2.gz ZWUYDOADZWIHKO-ZDUSSCGKSA-N 0 0 322.457 0.639 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)NCC2(C)COC2)C1=O ZINC000112617089 395819472 /nfs/dbraw/zinc/81/94/72/395819472.db2.gz VVVNWRCORQXJLV-LLVKDONJSA-N 0 0 304.346 0.953 10 0 DCAERN CC1(CNC(=O)CCN2C(=O)COc3ccccc32)COC1 ZINC000112621427 395820156 /nfs/dbraw/zinc/82/01/56/395820156.db2.gz AXOUIDPJYOLKHB-UHFFFAOYSA-N 0 0 304.346 0.955 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)CC2 ZINC000195277292 395822893 /nfs/dbraw/zinc/82/28/93/395822893.db2.gz NYIOKUPQGPPIMT-WDEREUQCSA-N 0 0 305.382 0.311 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298931 395829176 /nfs/dbraw/zinc/82/91/76/395829176.db2.gz NRBTWXCCMGILBN-GFCCVEGCSA-N 0 0 320.374 0.774 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195502775 395829451 /nfs/dbraw/zinc/82/94/51/395829451.db2.gz YDUVCMOWFGZHRF-UHFFFAOYSA-N 0 0 308.382 0.279 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195505701 395829547 /nfs/dbraw/zinc/82/95/47/395829547.db2.gz FZBFSTDAOWCPOA-UHFFFAOYSA-N 0 0 321.425 0.574 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@H]1CN1CCOCC1)n1cncn1 ZINC000113448297 395830464 /nfs/dbraw/zinc/83/04/64/395830464.db2.gz ONXWDTWKJLCLRT-KBPBESRZSA-N 0 0 307.398 0.552 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000195521184 395831958 /nfs/dbraw/zinc/83/19/58/395831958.db2.gz YLQKLYDSTCBBMX-SNVBAGLBSA-N 0 0 312.395 0.752 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000118115579 395859960 /nfs/dbraw/zinc/85/99/60/395859960.db2.gz YRNVGTNVDCZDDY-CQSZACIVSA-N 0 0 305.378 0.634 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000216484260 395837617 /nfs/dbraw/zinc/83/76/17/395837617.db2.gz AOWPSPGZQVCLQB-NEPJUHHUSA-N 0 0 304.412 0.174 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3nncn3c1)CC2 ZINC000114869588 395837789 /nfs/dbraw/zinc/83/77/89/395837789.db2.gz HUHWLLKSXAMAOJ-LLVKDONJSA-N 0 0 311.349 0.628 10 0 DCAERN Cc1sc(=O)n(CCC(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000115351401 395839606 /nfs/dbraw/zinc/83/96/06/395839606.db2.gz YLBDSZHHMPSCFG-GFCCVEGCSA-N 0 0 313.423 0.364 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000118115410 395860430 /nfs/dbraw/zinc/86/04/30/395860430.db2.gz ROBGTABVCLNIEV-AWEZNQCLSA-N 0 0 305.378 0.689 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C2)cn1 ZINC000116422786 395843557 /nfs/dbraw/zinc/84/35/57/395843557.db2.gz HWVJMECDRILHGJ-LBPRGKRZSA-N 0 0 319.409 0.978 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1C ZINC000118115385 395860620 /nfs/dbraw/zinc/86/06/20/395860620.db2.gz WIQKPGKNUDGYRQ-CQSZACIVSA-N 0 0 305.378 0.689 10 0 DCAERN CCn1c(C)cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C ZINC000116832148 395846956 /nfs/dbraw/zinc/84/69/56/395846956.db2.gz QLVHIALFQWQTNK-GFCCVEGCSA-N 0 0 313.423 0.889 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000116833944 395847210 /nfs/dbraw/zinc/84/72/10/395847210.db2.gz DGJDNFKMBYZIEE-AAEUAGOBSA-N 0 0 324.402 0.703 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000116904507 395849614 /nfs/dbraw/zinc/84/96/14/395849614.db2.gz JTXWWIASUNHPAV-SECBINFHSA-N 0 0 322.383 0.138 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOc3ccccc32)CCO1 ZINC000051676282 395852925 /nfs/dbraw/zinc/85/29/25/395852925.db2.gz LOYJHACSTGDCHF-YPMHNXCESA-N 0 0 305.334 0.406 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117522747 395853166 /nfs/dbraw/zinc/85/31/66/395853166.db2.gz JNRPVUAQBRWYLD-GFCCVEGCSA-N 0 0 306.366 0.199 10 0 DCAERN Cc1cnn(CCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 ZINC000117816661 395855361 /nfs/dbraw/zinc/85/53/61/395855361.db2.gz MQPBMFAOGOXHLD-LLVKDONJSA-N 0 0 317.436 0.228 10 0 DCAERN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCC1(C)COC1 ZINC000118228379 395861294 /nfs/dbraw/zinc/86/12/94/395861294.db2.gz AWVSDYGSXYRRQI-CQSZACIVSA-N 0 0 315.377 0.918 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000225514509 395861382 /nfs/dbraw/zinc/86/13/82/395861382.db2.gz ZRQYTHSVXXFAPY-CHWSQXEVSA-N 0 0 303.355 0.910 10 0 DCAERN COC(=O)c1ccc(N2CCO[C@@H](Cn3cc(C)cn3)C2)nn1 ZINC000108949945 395795703 /nfs/dbraw/zinc/79/57/03/395795703.db2.gz OYUNUAXVUBVYKN-GFCCVEGCSA-N 0 0 317.349 0.674 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)C3=COCCO3)C2)n1 ZINC000194453418 395797486 /nfs/dbraw/zinc/79/74/86/395797486.db2.gz QGGFNGINOXUILO-JTQLQIEISA-N 0 0 308.338 0.730 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000194477653 395797905 /nfs/dbraw/zinc/79/79/05/395797905.db2.gz KOJOSPVRDFTWSV-QWRGUYRKSA-N 0 0 321.381 0.320 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cn(C)cn1)CC2 ZINC000272383381 395887431 /nfs/dbraw/zinc/88/74/31/395887431.db2.gz SECIBWSODZKMSL-SNVBAGLBSA-N 0 0 324.410 0.428 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000055007997 395909070 /nfs/dbraw/zinc/90/90/70/395909070.db2.gz LIWLNAPDODTGKQ-CQSZACIVSA-N 0 0 323.437 0.960 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1cnn2c1CCCC2 ZINC000126232273 395910819 /nfs/dbraw/zinc/91/08/19/395910819.db2.gz RXHFCWFANNXHEQ-UHFFFAOYSA-N 0 0 308.382 0.396 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC000055291427 395916315 /nfs/dbraw/zinc/91/63/15/395916315.db2.gz VSZMXRDIRLTDLR-PHIMTYICSA-N 0 0 321.443 0.187 10 0 DCAERN Cc1cc(C)n2c(CN3CCS(=O)(=O)[C@H](C)C3)cnc2n1 ZINC000127913474 395916953 /nfs/dbraw/zinc/91/69/53/395916953.db2.gz YZBGLIJBXIIALG-GFCCVEGCSA-N 0 0 308.407 0.965 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000129373706 395919966 /nfs/dbraw/zinc/91/99/66/395919966.db2.gz XVGYSWJGAMVJIF-NHCYSSNCSA-N 0 0 302.396 0.031 10 0 DCAERN CSCC[C@@H](C)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000134386474 395931215 /nfs/dbraw/zinc/93/12/15/395931215.db2.gz OQTNBINPZDYNIA-SNVBAGLBSA-N 0 0 323.422 0.730 10 0 DCAERN CC[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)c1nccs1 ZINC000131685955 395925034 /nfs/dbraw/zinc/92/50/34/395925034.db2.gz KYBHXTXSWMVVRA-SECBINFHSA-N 0 0 308.363 0.271 10 0 DCAERN Cc1nc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)no1 ZINC000118645699 395863006 /nfs/dbraw/zinc/86/30/06/395863006.db2.gz APXZLPPENHEVQJ-UHFFFAOYSA-N 0 0 324.362 0.315 10 0 DCAERN Cn1cc(CCC(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000118670567 395863105 /nfs/dbraw/zinc/86/31/05/395863105.db2.gz KACIIVAMSAYTNT-AWEZNQCLSA-N 0 0 314.393 0.928 10 0 DCAERN NC(=O)NC1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000119278109 395869071 /nfs/dbraw/zinc/86/90/71/395869071.db2.gz SLHBIEIUKVREOG-LBPRGKRZSA-N 0 0 304.350 0.962 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCCSCCCO ZINC000228063481 395870562 /nfs/dbraw/zinc/87/05/62/395870562.db2.gz DRESRJBITMZPMC-UHFFFAOYSA-N 0 0 313.832 0.467 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000120092085 395880653 /nfs/dbraw/zinc/88/06/53/395880653.db2.gz QPEOWIUJEGRAKY-AWEZNQCLSA-N 0 0 322.409 0.663 10 0 DCAERN O=C(c1ccn(-c2cccc(F)c2)n1)N1CCNC(=O)CC1 ZINC000065901789 395998129 /nfs/dbraw/zinc/99/81/29/395998129.db2.gz ARQHJECIRGVXQX-UHFFFAOYSA-N 0 0 302.309 0.974 10 0 DCAERN COCCO[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245613642 395933392 /nfs/dbraw/zinc/93/33/92/395933392.db2.gz MAIFGLOTKQKAQQ-ZIAGYGMSSA-N 0 0 300.399 0.097 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n1 ZINC000245909093 395938487 /nfs/dbraw/zinc/93/84/87/395938487.db2.gz UWNPIQVXXDRXCN-RDBSUJKOSA-N 0 0 322.409 0.813 10 0 DCAERN Cc1nsc(N2CCCN([C@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000246078948 395940788 /nfs/dbraw/zinc/94/07/88/395940788.db2.gz FQUJPHKBHKFKBH-JTQLQIEISA-N 0 0 309.395 0.116 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000135574866 395941198 /nfs/dbraw/zinc/94/11/98/395941198.db2.gz CRPQKYGGHCUVNY-AWEZNQCLSA-N 0 0 313.361 0.682 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)Cn1cccn1 ZINC000246103114 395941352 /nfs/dbraw/zinc/94/13/52/395941352.db2.gz HORRFRWTIFPGQX-AGIUHOORSA-N 0 0 316.427 0.463 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)Cn1cccn1 ZINC000246103124 395941638 /nfs/dbraw/zinc/94/16/38/395941638.db2.gz HORRFRWTIFPGQX-FRRDWIJNSA-N 0 0 316.427 0.463 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)C[C@@H]1C(=O)Nc2ccccc21 ZINC000248885899 395999420 /nfs/dbraw/zinc/99/94/20/395999420.db2.gz DZFYJDKMXKOXEE-MDZLAQPJSA-N 0 0 306.362 0.703 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246311506 395947386 /nfs/dbraw/zinc/94/73/86/395947386.db2.gz DDYLEHRESVLSOR-WCQYABFASA-N 0 0 300.380 0.899 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246370605 395947972 /nfs/dbraw/zinc/94/79/72/395947972.db2.gz RUMVJNFTIXUTOL-LOWVWBTDSA-N 0 0 306.366 0.741 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3nncs3)[C@H]2C1 ZINC000246496349 395951507 /nfs/dbraw/zinc/95/15/07/395951507.db2.gz KBVXKWHSETVNBZ-VWYCJHECSA-N 0 0 312.395 0.745 10 0 DCAERN CCN(C[C@@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557219 395952429 /nfs/dbraw/zinc/95/24/29/395952429.db2.gz NAOSIVJDTTZRIJ-VXGBXAGGSA-N 0 0 313.485 0.812 10 0 DCAERN COCCCS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246612852 395954336 /nfs/dbraw/zinc/95/43/36/395954336.db2.gz XAKZSTTZSASUKE-QWHCGFSZSA-N 0 0 306.428 0.005 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000246858485 395959404 /nfs/dbraw/zinc/95/94/04/395959404.db2.gz FIRMFKPSFRMLKL-DGCLKSJQSA-N 0 0 307.398 0.745 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000246896527 395960116 /nfs/dbraw/zinc/96/01/16/395960116.db2.gz GVLYNEAWBCNHBO-FRRDWIJNSA-N 0 0 318.439 0.325 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000246877481 395960206 /nfs/dbraw/zinc/96/02/06/395960206.db2.gz LQZSOXYRVDVYQW-USWWRNFRSA-N 0 0 305.382 0.610 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](C)[C@H]1C)CC2 ZINC000247003152 395963510 /nfs/dbraw/zinc/96/35/10/395963510.db2.gz PSQZYDASEIFSGO-IJLUTSLNSA-N 0 0 307.398 0.974 10 0 DCAERN CCN(C[C@H](O)CN1CCCC1=O)[C@H](C)CS(=O)(=O)CC ZINC000247085736 395965995 /nfs/dbraw/zinc/96/59/95/395965995.db2.gz HZGMIJDUVKKTFG-OLZOCXBDSA-N 0 0 320.455 0.115 10 0 DCAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ncccn3)CCO2)[nH]1 ZINC000247241137 395969339 /nfs/dbraw/zinc/96/93/39/395969339.db2.gz XYCMHTBKUZFSBS-KOLCDFICSA-N 0 0 317.353 0.304 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729957 395971603 /nfs/dbraw/zinc/97/16/03/395971603.db2.gz GFDIRUWECUSGCC-CYBMUJFWSA-N 0 0 324.450 0.910 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)CC ZINC000151075273 395977879 /nfs/dbraw/zinc/97/78/79/395977879.db2.gz TWYDKZGERFDAMQ-VIFPVBQESA-N 0 0 300.384 0.226 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000247741718 395978138 /nfs/dbraw/zinc/97/81/38/395978138.db2.gz XBILHRSDCOEDKW-NWDGAFQWSA-N 0 0 322.365 0.221 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000151116932 395979514 /nfs/dbraw/zinc/97/95/14/395979514.db2.gz RRHURJPWNBKGCH-GFCCVEGCSA-N 0 0 305.382 0.579 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NCC3(CO)COC3)CC2=O)cc1 ZINC000151152346 395980526 /nfs/dbraw/zinc/98/05/26/395980526.db2.gz PFVGETWFHJDBRA-CYBMUJFWSA-N 0 0 318.373 0.473 10 0 DCAERN CCS(=O)(=O)NCCCN1c2ccccc2C[C@H]1C(N)=O ZINC000151557494 395988533 /nfs/dbraw/zinc/98/85/33/395988533.db2.gz HESZYDQUQIFUKI-ZDUSSCGKSA-N 0 0 311.407 0.232 10 0 DCAERN CCOC(=O)NCCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000151664420 395989878 /nfs/dbraw/zinc/98/98/78/395989878.db2.gz AMQKBIIOZJBNEY-NSHDSACASA-N 0 0 323.397 0.798 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000248534872 395989932 /nfs/dbraw/zinc/98/99/32/395989932.db2.gz JSRWDJSIUVSGPI-DOMZBBRYSA-N 0 0 311.332 0.962 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)NCc1ccnn1C ZINC000151756001 395992089 /nfs/dbraw/zinc/99/20/89/395992089.db2.gz YNNXXFXUGPGMLC-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)COc1c(C)nn(C)c1C ZINC000151760951 395992258 /nfs/dbraw/zinc/99/22/58/395992258.db2.gz BSPGGYSQPSGIJG-LBPRGKRZSA-N 0 0 318.381 0.967 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)COc1c(C)nn(C)c1C ZINC000151760891 395992386 /nfs/dbraw/zinc/99/23/86/395992386.db2.gz BSPGGYSQPSGIJG-GFCCVEGCSA-N 0 0 318.381 0.967 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1Cc2cc(F)ccc2O1 ZINC000151893313 395995692 /nfs/dbraw/zinc/99/56/92/395995692.db2.gz VJSCOXFGBZLBGQ-DGCLKSJQSA-N 0 0 302.309 0.852 10 0 DCAERN CC(=O)NCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151906309 395995928 /nfs/dbraw/zinc/99/59/28/395995928.db2.gz XUDPGMCPVBKVAX-CYBMUJFWSA-N 0 0 320.397 0.223 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000153618348 396025158 /nfs/dbraw/zinc/02/51/58/396025158.db2.gz SOMQKRQOBITENY-AAEUAGOBSA-N 0 0 318.439 0.826 10 0 DCAERN Cc1cc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)n(C)n1 ZINC000253415073 396027765 /nfs/dbraw/zinc/02/77/65/396027765.db2.gz ZNJXFLHHUDPRCG-DZGCQCFKSA-N 0 0 306.410 0.438 10 0 DCAERN COCCOCCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154007604 396029061 /nfs/dbraw/zinc/02/90/61/396029061.db2.gz LPYGQSCUYNFVGV-CYBMUJFWSA-N 0 0 310.398 0.558 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000253555355 396030602 /nfs/dbraw/zinc/03/06/02/396030602.db2.gz OGQMJCFVZMWFDY-ZWKOPEQDSA-N 0 0 305.334 0.023 10 0 DCAERN COc1ccc(CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154111642 396031161 /nfs/dbraw/zinc/03/11/61/396031161.db2.gz BROCBDHUENFUQB-CQSZACIVSA-N 0 0 308.378 0.047 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cncc(Br)c1 ZINC000154104305 396031400 /nfs/dbraw/zinc/03/14/00/396031400.db2.gz IAWGSRYNZVWXDO-SSDOTTSWSA-N 0 0 316.155 0.670 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)cn1 ZINC000154174245 396033655 /nfs/dbraw/zinc/03/36/55/396033655.db2.gz LGCPYFMJRIHMQZ-LBPRGKRZSA-N 0 0 301.350 0.920 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@](C)(O)c2cccs2)CCC1=O ZINC000154426492 396037662 /nfs/dbraw/zinc/03/76/62/396037662.db2.gz MCPMUZNAVPAALS-YGRLFVJLSA-N 0 0 311.407 0.876 10 0 DCAERN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)C1CC1 ZINC000068052804 396043731 /nfs/dbraw/zinc/04/37/31/396043731.db2.gz LQXDQIOBLPOHJN-UHFFFAOYSA-N 0 0 324.358 0.824 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnc(C)cn1 ZINC000154953613 396045116 /nfs/dbraw/zinc/04/51/16/396045116.db2.gz GLCAGIBXMUXFAA-SNVBAGLBSA-N 0 0 302.338 0.788 10 0 DCAERN COC[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000154957851 396045422 /nfs/dbraw/zinc/04/54/22/396045422.db2.gz KDXGXJRPBKMLJU-SECBINFHSA-N 0 0 306.409 0.425 10 0 DCAERN CC1(C)CN(CC(=O)Nc2nccs2)CCS1(=O)=O ZINC000155169527 396047991 /nfs/dbraw/zinc/04/79/91/396047991.db2.gz GSKFSXXDYJXHHZ-UHFFFAOYSA-N 0 0 303.409 0.591 10 0 DCAERN Cc1cccc(C(C)(C)CNC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000155142682 396048055 /nfs/dbraw/zinc/04/80/55/396048055.db2.gz ADTXAJWJDNNGLA-LBPRGKRZSA-N 0 0 303.362 0.987 10 0 DCAERN COc1ccc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000155609803 396054706 /nfs/dbraw/zinc/05/47/06/396054706.db2.gz YOMIVEXWKIURBW-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)NCCCc1cccc(F)c1 ZINC000068498194 396057956 /nfs/dbraw/zinc/05/79/56/396057956.db2.gz RCORRBHQERCXKU-LBPRGKRZSA-N 0 0 307.325 0.863 10 0 DCAERN O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCN(C2CC2)CC1 ZINC000068553482 396059152 /nfs/dbraw/zinc/05/91/52/396059152.db2.gz RVXYNXAZQTVNBD-UHFFFAOYSA-N 0 0 320.393 0.061 10 0 DCAERN O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCNC(=O)CC1 ZINC000158740621 396064856 /nfs/dbraw/zinc/06/48/56/396064856.db2.gz DEKWIUZOWCNCFI-UHFFFAOYSA-N 0 0 303.297 0.369 10 0 DCAERN C[C@@H]1CN(C(=O)COc2ccccc2O)C[C@H]1N1CCOCC1 ZINC000152315498 396005855 /nfs/dbraw/zinc/00/58/55/396005855.db2.gz BCVKFGLQVPLCLW-ZIAGYGMSSA-N 0 0 320.389 0.950 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)NCc2ccn(C3CCCC3)n2)CCO1 ZINC000152340572 396006119 /nfs/dbraw/zinc/00/61/19/396006119.db2.gz WPLVVAZWRNGFNT-CYBMUJFWSA-N 0 0 321.381 0.394 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000249630958 396010872 /nfs/dbraw/zinc/01/08/72/396010872.db2.gz VFLXONNBYYGFIQ-OLZOCXBDSA-N 0 0 320.455 0.536 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)CCSC)CC1 ZINC000152546325 396012058 /nfs/dbraw/zinc/01/20/58/396012058.db2.gz SUZVWXSAYLBWIA-UHFFFAOYSA-N 0 0 308.469 0.870 10 0 DCAERN COCC(C)(C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000066743819 396013670 /nfs/dbraw/zinc/01/36/70/396013670.db2.gz QXRNANCRZXSWBV-UHFFFAOYSA-N 0 0 305.334 0.231 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)C1CCCC1 ZINC000250050366 396013852 /nfs/dbraw/zinc/01/38/52/396013852.db2.gz LVCSIWNETFUZHP-WFASDCNBSA-N 0 0 311.426 0.206 10 0 DCAERN COC(=O)[C@@H]1CCCN(CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000066832573 396015157 /nfs/dbraw/zinc/01/51/57/396015157.db2.gz ZDWNHHRNBPXCPE-CYBMUJFWSA-N 0 0 308.382 0.264 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)CCNC(=O)CC(C)C)n1 ZINC000152739746 396015282 /nfs/dbraw/zinc/01/52/82/396015282.db2.gz QBDOTURCDWHGQH-GFCCVEGCSA-N 0 0 324.381 0.830 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000069141631 396070731 /nfs/dbraw/zinc/07/07/31/396070731.db2.gz IFSQMQHDBIXBCX-RKDXNWHRSA-N 0 0 318.420 0.953 10 0 DCAERN O=C(NC[C@@H]1CCc2nccn2C1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000276659259 396018675 /nfs/dbraw/zinc/01/86/75/396018675.db2.gz MKJSYKKBZOPTJM-RYUDHWBXSA-N 0 0 317.393 0.508 10 0 DCAERN CCCNC(=O)CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000252054508 396018800 /nfs/dbraw/zinc/01/88/00/396018800.db2.gz COEFIMIYAOSXBR-GFCCVEGCSA-N 0 0 309.414 0.837 10 0 DCAERN C[C@H](c1onc(N)c1I)S(C)(=O)=O ZINC000168005556 396089752 /nfs/dbraw/zinc/08/97/52/396089752.db2.gz WKGLKNYWLABHMS-GSVOUGTGSA-N 0 0 316.120 0.967 10 0 DCAERN O=C(c1cnco1)N1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169790160 396093301 /nfs/dbraw/zinc/09/33/01/396093301.db2.gz KEHHVBLBZLCEBZ-UHFFFAOYSA-N 0 0 303.322 0.141 10 0 DCAERN NCc1nc(CN2CCN(c3ccc(Cl)cn3)CC2)no1 ZINC000262132366 396102570 /nfs/dbraw/zinc/10/25/70/396102570.db2.gz DBYHUMDTZLVVLK-UHFFFAOYSA-N 0 0 308.773 0.899 10 0 DCAERN C[C@@H](c1cccnc1)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262154089 396105054 /nfs/dbraw/zinc/10/50/54/396105054.db2.gz GGMGZAGKPCRSCQ-LBPRGKRZSA-N 0 0 302.382 0.802 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2cn3ccsc3n2)CC1 ZINC000171075951 396105747 /nfs/dbraw/zinc/10/57/47/396105747.db2.gz MKEZTJCLWCKVGM-UHFFFAOYSA-N 0 0 300.409 0.473 10 0 DCAERN Cn1c2ccc(S(=O)(=O)N[C@@H]3CCCOC3)cc2oc1=O ZINC000171541101 396117633 /nfs/dbraw/zinc/11/76/33/396117633.db2.gz OUIYUYABCOMGCY-SECBINFHSA-N 0 0 312.347 0.589 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](CO)C3)C2)n(C)n1 ZINC000278329881 396119408 /nfs/dbraw/zinc/11/94/08/396119408.db2.gz HDAIUHRTRXINCB-KGLIPLIRSA-N 0 0 321.425 0.721 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)CC(C)(C)C)N1CCOCC1 ZINC000172282020 396130479 /nfs/dbraw/zinc/13/04/79/396130479.db2.gz AWYVRBGJVSMIPG-CHWSQXEVSA-N 0 0 301.431 0.803 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172690181 396132965 /nfs/dbraw/zinc/13/29/65/396132965.db2.gz WGZSLCXWGPXHMK-NWDGAFQWSA-N 0 0 304.346 0.766 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1S(N)(=O)=O ZINC000172637664 396133034 /nfs/dbraw/zinc/13/30/34/396133034.db2.gz AYMYNUWHLCGOCE-UHFFFAOYSA-N 0 0 323.418 0.563 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCN(Cc2ccon2)CC1 ZINC000173938523 396136887 /nfs/dbraw/zinc/13/68/87/396136887.db2.gz NHWFAHDFRVCUGG-JTQLQIEISA-N 0 0 320.315 0.859 10 0 DCAERN CCO[C@H]1C[C@H](N(C)C(=O)CS(=O)(=O)NC)C12CCCC2 ZINC000175216113 396139538 /nfs/dbraw/zinc/13/95/38/396139538.db2.gz NRVNZWYRVZRKPH-RYUDHWBXSA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000069337650 396075453 /nfs/dbraw/zinc/07/54/53/396075453.db2.gz JRRUGLQYGKJMIJ-RQJABVFESA-N 0 0 311.426 0.515 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC000162437896 396081313 /nfs/dbraw/zinc/08/13/13/396081313.db2.gz DTCZUNIWDHHROG-UHFFFAOYSA-N 0 0 302.382 0.952 10 0 DCAERN CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000261949493 396082466 /nfs/dbraw/zinc/08/24/66/396082466.db2.gz WDDHXYTZFXZLET-BONVTDFDSA-N 0 0 321.377 0.692 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1)C(F)(F)F ZINC000261949021 396082697 /nfs/dbraw/zinc/08/26/97/396082697.db2.gz JXZBZLZLADWPFA-CMPLNLGQSA-N 0 0 323.359 0.835 10 0 DCAERN CCN1CCO[C@H](C(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000261959959 396084517 /nfs/dbraw/zinc/08/45/17/396084517.db2.gz MHFVTFKEVDWOQF-GJZGRUSLSA-N 0 0 304.394 0.275 10 0 DCAERN Nc1c(I)cnn1Cc1ccncn1 ZINC000069638054 396085299 /nfs/dbraw/zinc/08/52/99/396085299.db2.gz RZGVRWSRKXETBY-UHFFFAOYSA-N 0 0 301.091 0.908 10 0 DCAERN CN(C)C(=O)Cn1cnc(NC(=O)NCCc2ccsc2)n1 ZINC000175953595 396146676 /nfs/dbraw/zinc/14/66/76/396146676.db2.gz RSDCUEOXRMGPCO-UHFFFAOYSA-N 0 0 322.394 0.792 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)CC(C)(C)OC)cn1 ZINC000175966545 396146841 /nfs/dbraw/zinc/14/68/41/396146841.db2.gz HYGSKACZLZQGRR-SNVBAGLBSA-N 0 0 311.386 0.954 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)CC1(O)CCCCC1 ZINC000073619387 396148554 /nfs/dbraw/zinc/14/85/54/396148554.db2.gz ICNGFXMELUQEBU-NSHDSACASA-N 0 0 304.412 0.351 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000176290366 396153724 /nfs/dbraw/zinc/15/37/24/396153724.db2.gz JBXMEHOSSYALMC-CHWSQXEVSA-N 0 0 305.382 0.596 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000178823346 396210018 /nfs/dbraw/zinc/21/00/18/396210018.db2.gz LUPNYFDTGWSYRY-UHFFFAOYSA-N 0 0 323.397 0.510 10 0 DCAERN CN(C)C(=O)COc1cccc(NC(=O)[C@H]2COCCN2)c1 ZINC000262599030 396160316 /nfs/dbraw/zinc/16/03/16/396160316.db2.gz AXBCORZFEQCQND-CYBMUJFWSA-N 0 0 307.350 0.081 10 0 DCAERN O=C(CC1CCCC1)N1CCCN(C(=O)[C@H]2COCCN2)CC1 ZINC000262611089 396162043 /nfs/dbraw/zinc/16/20/43/396162043.db2.gz JLTBTZKBVKLLBX-OAHLLOKOSA-N 0 0 323.437 0.616 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@H](C)CO1 ZINC000074523490 396167888 /nfs/dbraw/zinc/16/78/88/396167888.db2.gz KDIBMENLVHPBRS-VXGBXAGGSA-N 0 0 308.382 0.407 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263281708 396210893 /nfs/dbraw/zinc/21/08/93/396210893.db2.gz UJHZKWVQFXMGDP-RYUDHWBXSA-N 0 0 303.353 0.164 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccnc2)C[C@H]1N1CCOCC1 ZINC000177296910 396171190 /nfs/dbraw/zinc/17/11/90/396171190.db2.gz RTHQJGGIQUUNSS-DZGCQCFKSA-N 0 0 304.394 0.944 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000262728922 396176643 /nfs/dbraw/zinc/17/66/43/396176643.db2.gz BGPXWEUFQVKBDE-GHMZBOCLSA-N 0 0 303.353 0.748 10 0 DCAERN CC[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000075259601 396178814 /nfs/dbraw/zinc/17/88/14/396178814.db2.gz PRMDGVCZZSYKTE-MLGOLLRUSA-N 0 0 307.394 0.516 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)CCc2ccccc2O)C1=O ZINC000177572436 396178974 /nfs/dbraw/zinc/17/89/74/396178974.db2.gz YXOVBVQHTDRVSW-LBPRGKRZSA-N 0 0 304.346 0.977 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000177607573 396179517 /nfs/dbraw/zinc/17/95/17/396179517.db2.gz AEIQRKZDWAZMMO-CHWSQXEVSA-N 0 0 320.393 0.242 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000177833415 396184870 /nfs/dbraw/zinc/18/48/70/396184870.db2.gz IPHIZNJODMUUHT-JTQLQIEISA-N 0 0 318.420 0.587 10 0 DCAERN C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1 ZINC000076015705 396191706 /nfs/dbraw/zinc/19/17/06/396191706.db2.gz KTSWNTUEWBGFEV-MFKMUULPSA-N 0 0 302.330 0.966 10 0 DCAERN O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(F)(F)CN1 ZINC000263008158 396197939 /nfs/dbraw/zinc/19/79/39/396197939.db2.gz PKUIILOAFLFAMY-LLVKDONJSA-N 0 0 307.304 0.881 10 0 DCAERN O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263040978 396199271 /nfs/dbraw/zinc/19/92/71/396199271.db2.gz SUBBTJBDMVEKTM-RYUDHWBXSA-N 0 0 315.364 0.748 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@@H]1N1CCOCC1 ZINC000263105676 396201366 /nfs/dbraw/zinc/20/13/66/396201366.db2.gz ZUPHGUKUPZWQQG-UPJWGTAASA-N 0 0 317.380 0.553 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)no1 ZINC000181711666 396241525 /nfs/dbraw/zinc/24/15/25/396241525.db2.gz VGOSMJJVSLOVNN-STQMWFEESA-N 0 0 308.382 0.980 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H](C)C[S@](C)=O)cnc12 ZINC000181700218 396241656 /nfs/dbraw/zinc/24/16/56/396241656.db2.gz AJMBQIYKLMTHPO-CWKPULSASA-N 0 0 307.375 0.500 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181771542 396242249 /nfs/dbraw/zinc/24/22/49/396242249.db2.gz YYCXKMWXFCVJMI-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCCCn2ccnn2)c(F)c1 ZINC000181771839 396242394 /nfs/dbraw/zinc/24/23/94/396242394.db2.gz AUEMZJLSTAXOOW-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCC(C)(C)CO)CC1 ZINC000181829657 396243040 /nfs/dbraw/zinc/24/30/40/396243040.db2.gz BLBGNIJTFPRWCQ-AWEZNQCLSA-N 0 0 315.458 0.883 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)c1ccc2nnn(C)c2c1 ZINC000184038641 396281634 /nfs/dbraw/zinc/28/16/34/396281634.db2.gz LPAQNUXZBPWEPG-JTQLQIEISA-N 0 0 302.256 0.964 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CC(N)=O)cn1 ZINC000184037573 396281767 /nfs/dbraw/zinc/28/17/67/396281767.db2.gz JMVKZCBIEFFKQM-GFCCVEGCSA-N 0 0 323.397 0.499 10 0 DCAERN O=C(NCCCn1ccnn1)NCCNC(=O)c1ccccc1 ZINC000182150099 396247580 /nfs/dbraw/zinc/24/75/80/396247580.db2.gz UWUCZUYAZAQZTJ-UHFFFAOYSA-N 0 0 316.365 0.397 10 0 DCAERN COCCNC(=O)c1ccc(NCCCn2ccnn2)nc1 ZINC000182229185 396247748 /nfs/dbraw/zinc/24/77/48/396247748.db2.gz XZYBFMMQSWMEJI-UHFFFAOYSA-N 0 0 304.354 0.552 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCn1ccnn1 ZINC000182463831 396250726 /nfs/dbraw/zinc/25/07/26/396250726.db2.gz SYTNGAFGEUFJKK-ZDUSSCGKSA-N 0 0 322.413 0.711 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCCN(CC(F)F)CC1 ZINC000182460499 396250935 /nfs/dbraw/zinc/25/09/35/396250935.db2.gz GQIOGQWLXGTCLM-UHFFFAOYSA-N 0 0 316.356 0.651 10 0 DCAERN Cc1cccc(NC(=O)CS(=O)(=O)c2ncc(CO)n2C)c1 ZINC000182827877 396254991 /nfs/dbraw/zinc/25/49/91/396254991.db2.gz BVWCUTRQYVVJHC-UHFFFAOYSA-N 0 0 323.374 0.633 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)C[C@@H](C)O1 ZINC000078884570 396256246 /nfs/dbraw/zinc/25/62/46/396256246.db2.gz IVIHLSBPMDIFRE-RKDXNWHRSA-N 0 0 320.333 0.509 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282035983 396257364 /nfs/dbraw/zinc/25/73/64/396257364.db2.gz FRPZCRUSOJLVOD-NSHDSACASA-N 0 0 303.362 0.990 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cn(Cc2cccnc2)nn1 ZINC000182996069 396258233 /nfs/dbraw/zinc/25/82/33/396258233.db2.gz KDWFTUMYFROZSX-OCCSQVGLSA-N 0 0 314.393 0.807 10 0 DCAERN CNC(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 ZINC000183239193 396265615 /nfs/dbraw/zinc/26/56/15/396265615.db2.gz XDDAQLZVIBHUPJ-UHFFFAOYSA-N 0 0 302.338 0.850 10 0 DCAERN CS(=O)(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 ZINC000183299450 396266306 /nfs/dbraw/zinc/26/63/06/396266306.db2.gz MSSQKRMCGKIRCV-UHFFFAOYSA-N 0 0 323.378 0.893 10 0 DCAERN C[C@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)C(=O)N1CCCCC1 ZINC000183674833 396273057 /nfs/dbraw/zinc/27/30/57/396273057.db2.gz RHEJIROZHMUIAN-WDEREUQCSA-N 0 0 312.414 0.587 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3CCC(=O)N[C@@H]3C)C2)n1 ZINC000282245736 396274839 /nfs/dbraw/zinc/27/48/39/396274839.db2.gz OIAGFELPMJYFMQ-JLLWLGSASA-N 0 0 321.381 0.934 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)NCC1CC1)[C@H](O)Cc1ccccc1 ZINC000183798862 396275165 /nfs/dbraw/zinc/27/51/65/396275165.db2.gz BJCNYWSGKYXWQK-IUODEOHRSA-N 0 0 319.405 0.804 10 0 DCAERN O=C(CCn1ccnn1)N1CCN(c2cccs2)C(=O)C1 ZINC000184067122 396283237 /nfs/dbraw/zinc/28/32/37/396283237.db2.gz KCOLIIWXHNCGMC-UHFFFAOYSA-N 0 0 305.363 0.605 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000184073213 396283256 /nfs/dbraw/zinc/28/32/56/396283256.db2.gz YTAAAMRROHDZOG-LSDHHAIUSA-N 0 0 317.389 0.902 10 0 DCAERN Cc1cc(NC(=O)CSCC(=O)N(C)[C@H]2CCOC2)no1 ZINC000264387296 396275847 /nfs/dbraw/zinc/27/58/47/396275847.db2.gz FDRMXSINQNUTSA-JTQLQIEISA-N 0 0 313.379 0.902 10 0 DCAERN COc1cc(N2CCN(C(=O)Cc3cnn(C)c3)CC2)ncn1 ZINC000183823572 396276085 /nfs/dbraw/zinc/27/60/85/396276085.db2.gz MFZQTWJCPCODNZ-UHFFFAOYSA-N 0 0 316.365 0.110 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000264436759 396279788 /nfs/dbraw/zinc/27/97/88/396279788.db2.gz PRTJEMHMHAKLGQ-VIFPVBQESA-N 0 0 312.347 0.541 10 0 DCAERN CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178990811 396217811 /nfs/dbraw/zinc/21/78/11/396217811.db2.gz FJAFWJRKKXTSLA-YPMHNXCESA-N 0 0 312.391 0.567 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)c1cnn2c1CCCC2 ZINC000179080697 396220353 /nfs/dbraw/zinc/22/03/53/396220353.db2.gz IAOLZBMNPXMCKK-UHFFFAOYSA-N 0 0 306.366 0.150 10 0 DCAERN COc1ccc(-c2nnc(S[C@@H]3CCNC3=O)n2N)cc1 ZINC000179085110 396221030 /nfs/dbraw/zinc/22/10/30/396221030.db2.gz FYSMVIVMJJRGOD-SNVBAGLBSA-N 0 0 305.363 0.648 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000179419217 396226882 /nfs/dbraw/zinc/22/68/82/396226882.db2.gz FCEOGYFLGFGECB-GFCCVEGCSA-N 0 0 318.377 0.385 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000077772733 396232593 /nfs/dbraw/zinc/23/25/93/396232593.db2.gz PKZCDKJRSUNBLY-OLZOCXBDSA-N 0 0 322.409 0.734 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@H](C)CO ZINC000077778131 396232902 /nfs/dbraw/zinc/23/29/02/396232902.db2.gz YIKLNLLBFGPZBT-JHJVBQTASA-N 0 0 307.398 0.762 10 0 DCAERN COCCC(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000185044489 396314979 /nfs/dbraw/zinc/31/49/79/396314979.db2.gz HOUDCUPPXGCMMR-VXGBXAGGSA-N 0 0 308.444 0.993 10 0 DCAERN CC[C@H](NCC(=O)NCC(=O)N1CCCC1)c1nccs1 ZINC000185097698 396317489 /nfs/dbraw/zinc/31/74/89/396317489.db2.gz ZLTSAOLSMPKWMQ-NSHDSACASA-N 0 0 310.423 0.922 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000185128509 396318703 /nfs/dbraw/zinc/31/87/03/396318703.db2.gz KHGSWVQVKAFVIN-UHFFFAOYSA-N 0 0 319.365 0.193 10 0 DCAERN CN1C[C@@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184078972 396284798 /nfs/dbraw/zinc/28/47/98/396284798.db2.gz YJQANZYDWFKELB-JTQLQIEISA-N 0 0 307.375 0.402 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000080726945 396285120 /nfs/dbraw/zinc/28/51/20/396285120.db2.gz MWUWCILZDMHOHJ-NSHDSACASA-N 0 0 300.384 0.192 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCCc1nnc2n1CCCC2)C(C)C ZINC000184130630 396286386 /nfs/dbraw/zinc/28/63/86/396286386.db2.gz JJDSNFZUHHESPB-CYBMUJFWSA-N 0 0 323.397 0.654 10 0 DCAERN CCO[C@H]1C[C@H](NS(=O)(=O)N(C)CC)C12CCOCC2 ZINC000185145691 396319593 /nfs/dbraw/zinc/31/95/93/396319593.db2.gz PKBRKZYJQHGSRB-RYUDHWBXSA-N 0 0 306.428 0.747 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000184275272 396289337 /nfs/dbraw/zinc/28/93/37/396289337.db2.gz HTAYMNSKNYZAAY-LLVKDONJSA-N 0 0 302.371 0.743 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](OC)c1cnn(C)c1 ZINC000282436068 396290085 /nfs/dbraw/zinc/29/00/85/396290085.db2.gz SASPVFDHVSSCEZ-RUZUBIRVSA-N 0 0 321.377 0.908 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](O)c1ccccc1F ZINC000184431068 396295462 /nfs/dbraw/zinc/29/54/62/396295462.db2.gz AVGIZQYDCQDSJY-XDTLVQLUSA-N 0 0 303.355 0.956 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N(CCO)Cc1cccnc1 ZINC000184432870 396295511 /nfs/dbraw/zinc/29/55/11/396295511.db2.gz ANTWAYQODDEDPK-YPMHNXCESA-N 0 0 300.380 0.383 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000184586390 396299822 /nfs/dbraw/zinc/29/98/22/396299822.db2.gz RQBPQYPPVOIVQJ-LLVKDONJSA-N 0 0 306.366 0.791 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000184657916 396301584 /nfs/dbraw/zinc/30/15/84/396301584.db2.gz UEZGQVILJIVCNE-CYBMUJFWSA-N 0 0 311.426 0.864 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000184739722 396304695 /nfs/dbraw/zinc/30/46/95/396304695.db2.gz VOPRNSGCEHUWJU-JTNHKYCSSA-N 0 0 310.781 0.873 10 0 DCAERN O=C(N1CCN(C[C@H](O)c2ccccc2)CC1)C1(O)CCC1 ZINC000184756497 396305105 /nfs/dbraw/zinc/30/51/05/396305105.db2.gz COKJAVQOQAJCFU-HNNXBMFYSA-N 0 0 304.390 0.779 10 0 DCAERN CCOc1ccccc1N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000283131875 396310724 /nfs/dbraw/zinc/31/07/24/396310724.db2.gz ZQDYOOZXWJOYFA-GFCCVEGCSA-N 0 0 319.361 0.842 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000185431676 396327576 /nfs/dbraw/zinc/32/75/76/396327576.db2.gz BNGJVBFHMZADEM-NWDGAFQWSA-N 0 0 308.444 0.858 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186256 396321253 /nfs/dbraw/zinc/32/12/53/396321253.db2.gz HUNZYMRZXCCGMX-MNOVXSKESA-N 0 0 316.304 0.654 10 0 DCAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@]2(CCOC2)C1 ZINC000185203458 396321914 /nfs/dbraw/zinc/32/19/14/396321914.db2.gz CQYYTFOJHCNSLV-QMTHXVAHSA-N 0 0 308.386 0.072 10 0 DCAERN COCCCNC(=O)CS(=O)(=O)Cc1ccc(C)nc1C ZINC000185238895 396322613 /nfs/dbraw/zinc/32/26/13/396322613.db2.gz WBKHSBIIIPHCLV-UHFFFAOYSA-N 0 0 314.407 0.766 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000185259225 396322970 /nfs/dbraw/zinc/32/29/70/396322970.db2.gz PWMLNBPOBXLCRH-UHFFFAOYSA-N 0 0 304.346 0.623 10 0 DCAERN O=C(N1CCN(c2ccc3nncn3n2)CC1)C1(O)CCCC1 ZINC000265514350 396323406 /nfs/dbraw/zinc/32/34/06/396323406.db2.gz GQBBYSCKNZIFRY-UHFFFAOYSA-N 0 0 316.365 0.078 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1cnn(-c2ccccc2)n1 ZINC000185518055 396329482 /nfs/dbraw/zinc/32/94/82/396329482.db2.gz FTWJYOGQUMZNST-ZIAGYGMSSA-N 0 0 302.334 0.376 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000185904261 396336486 /nfs/dbraw/zinc/33/64/86/396336486.db2.gz XZCIPKIYKICXTB-GFCCVEGCSA-N 0 0 318.370 0.698 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000265720934 396339097 /nfs/dbraw/zinc/33/90/97/396339097.db2.gz MHXYKCPWHGTKNX-ZDUSSCGKSA-N 0 0 306.318 0.467 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186023073 396339401 /nfs/dbraw/zinc/33/94/01/396339401.db2.gz AIRSNLGKZYJPNW-IAQYHMDHSA-N 0 0 324.402 0.884 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc12 ZINC000265655514 396334331 /nfs/dbraw/zinc/33/43/31/396334331.db2.gz NFFVWVNPGXSFBM-NSHDSACASA-N 0 0 301.350 0.627 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CSC3(C)C)cnc21 ZINC000283401275 396334789 /nfs/dbraw/zinc/33/47/89/396334789.db2.gz QHQUNHVONQEUPM-SECBINFHSA-N 0 0 320.374 0.658 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185783446 396334888 /nfs/dbraw/zinc/33/48/88/396334888.db2.gz VDVNIVOXWPDIEK-NSHDSACASA-N 0 0 322.413 0.494 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000265671856 396335604 /nfs/dbraw/zinc/33/56/04/396335604.db2.gz GTASFWMWPJWOKK-PWSUYJOCSA-N 0 0 305.382 0.718 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000186262653 396345916 /nfs/dbraw/zinc/34/59/16/396345916.db2.gz AXRGMYVMGCYYQD-CQSZACIVSA-N 0 0 322.471 0.689 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2ccccc2)C1 ZINC000284718689 396346444 /nfs/dbraw/zinc/34/64/44/396346444.db2.gz VQDDXLXDTAUQAA-DZGCQCFKSA-N 0 0 308.378 0.263 10 0 DCAERN COCC(=O)NC1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000186309309 396347430 /nfs/dbraw/zinc/34/74/30/396347430.db2.gz YIZQYOZEZYRLKQ-UHFFFAOYSA-N 0 0 316.357 0.331 10 0 DCAERN CCCN(CC(=O)OC(C)(C)C)C[C@H](O)CN1CCOCC1 ZINC000186310594 396347448 /nfs/dbraw/zinc/34/74/48/396347448.db2.gz PUXFKLHFJGRTAG-CQSZACIVSA-N 0 0 316.442 0.733 10 0 DCAERN O=C(CN1CCN(c2cccs2)C(=O)C1)NC[C@H]1CCCO1 ZINC000186116657 396342057 /nfs/dbraw/zinc/34/20/57/396342057.db2.gz GQEJTLXDOLLPIO-GFCCVEGCSA-N 0 0 323.418 0.692 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778546 396353008 /nfs/dbraw/zinc/35/30/08/396353008.db2.gz MWPGMSYUFMZNMS-QWHCGFSZSA-N 0 0 319.365 0.117 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000267010847 396353974 /nfs/dbraw/zinc/35/39/74/396353974.db2.gz HWKXDHIZEMDDCR-LLVKDONJSA-N 0 0 318.420 0.307 10 0 DCAERN CN(CC1(CO)CC1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000186977133 396361308 /nfs/dbraw/zinc/36/13/08/396361308.db2.gz PTETXVMZFIVTNO-CYBMUJFWSA-N 0 0 319.409 0.859 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187013664 396361700 /nfs/dbraw/zinc/36/17/00/396361700.db2.gz WTANLNBHJXGCIH-VIFPVBQESA-N 0 0 317.349 0.353 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)C(=O)c2cnn(C)c2)C12CCOCC2 ZINC000187067660 396362566 /nfs/dbraw/zinc/36/25/66/396362566.db2.gz JSWXKUFMZCWBPI-STQMWFEESA-N 0 0 321.377 0.693 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@@H](CO)CC(C)C ZINC000187120815 396363814 /nfs/dbraw/zinc/36/38/14/396363814.db2.gz XCSCTQMDAUSRST-GFCCVEGCSA-N 0 0 320.393 0.739 10 0 DCAERN O=C(c1ccccc1-n1cnnn1)N1CCO[C@@]2(CCOC2)C1 ZINC000187145678 396364637 /nfs/dbraw/zinc/36/46/37/396364637.db2.gz BSQFIQFXVWJKER-HNNXBMFYSA-N 0 0 315.333 0.294 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCN2CCCC[C@@H]2C1 ZINC000187200809 396365115 /nfs/dbraw/zinc/36/51/15/396365115.db2.gz ABTPQBUVQWIZJV-LLVKDONJSA-N 0 0 313.361 0.628 10 0 DCAERN CNC(=O)CC(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000187265185 396365991 /nfs/dbraw/zinc/36/59/91/396365991.db2.gz VCTRVCWUUBSNFI-UHFFFAOYSA-N 0 0 302.334 0.462 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000187282945 396366527 /nfs/dbraw/zinc/36/65/27/396366527.db2.gz UJBQQEMLVLDCSL-UHFFFAOYSA-N 0 0 306.366 0.194 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)N[C@H]3CCCOC3)CCO2)cn1 ZINC000268686860 396367827 /nfs/dbraw/zinc/36/78/27/396367827.db2.gz YRPMSFWOEFHDJK-ZFWWWQNUSA-N 0 0 308.382 0.856 10 0 DCAERN CC(C)C[C@@H](CO)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000186457007 396349998 /nfs/dbraw/zinc/34/99/98/396349998.db2.gz GXQWYPIYXQMKJA-XQQFMLRXSA-N 0 0 308.444 0.679 10 0 DCAERN CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000188517616 396382832 /nfs/dbraw/zinc/38/28/32/396382832.db2.gz NGWOHQOKAIDJMT-UWVGGRQHSA-N 0 0 317.411 0.429 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)CCN1CCO ZINC000188699999 396384947 /nfs/dbraw/zinc/38/49/47/396384947.db2.gz MMVFSEYDSLUANN-CQSZACIVSA-N 0 0 311.426 0.304 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000188846031 396387224 /nfs/dbraw/zinc/38/72/24/396387224.db2.gz QMIVLWGJEWULKP-GFCCVEGCSA-N 0 0 313.361 0.677 10 0 DCAERN C[C@@H]1Sc2ccc(C(=O)N3CCO[C@H](CO)C3)cc2NC1=O ZINC000269121711 396387280 /nfs/dbraw/zinc/38/72/80/396387280.db2.gz HTFFKLDTYNMQDW-ONGXEEELSA-N 0 0 322.386 0.953 10 0 DCAERN C[C@@H]1Sc2ccc(C(=O)N3CCO[C@@H](CO)C3)cc2NC1=O ZINC000269121704 396387475 /nfs/dbraw/zinc/38/74/75/396387475.db2.gz HTFFKLDTYNMQDW-GXSJLCMTSA-N 0 0 322.386 0.953 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CC(NC(=O)C3CCC3)C2)[nH]n1 ZINC000188900824 396388654 /nfs/dbraw/zinc/38/86/54/396388654.db2.gz VDWGEDKANQOSIJ-SNVBAGLBSA-N 0 0 319.409 0.959 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000189143491 396391140 /nfs/dbraw/zinc/39/11/40/396391140.db2.gz GDZWTYFSEWVWNF-MPKXVKKWSA-N 0 0 324.352 0.691 10 0 DCAERN CC(C)c1nnc2n1C[C@H](Nc1cncc(OCCO)n1)CC2 ZINC000189301322 396392870 /nfs/dbraw/zinc/39/28/70/396392870.db2.gz IOSARLSCSYZWBY-LLVKDONJSA-N 0 0 318.381 0.990 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189703468 396397908 /nfs/dbraw/zinc/39/79/08/396397908.db2.gz DIUDKXIRPURIQF-JTQLQIEISA-N 0 0 317.353 0.651 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)n[nH]1 ZINC000189780049 396399366 /nfs/dbraw/zinc/39/93/66/396399366.db2.gz UTLUSAJWTJXGAI-UHFFFAOYSA-N 0 0 301.350 0.379 10 0 DCAERN CC(=O)NC1CN(C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000189829047 396400428 /nfs/dbraw/zinc/40/04/28/396400428.db2.gz BIUDEDXOGHSXHO-UHFFFAOYSA-N 0 0 317.393 0.580 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCO[C@H](CO)C3)ccc2O1 ZINC000269758753 396444096 /nfs/dbraw/zinc/44/40/96/396444096.db2.gz BPOMPDIGLJGGMV-JQWIXIFHSA-N 0 0 313.375 0.392 10 0 DCAERN COCCn1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000190211139 396403003 /nfs/dbraw/zinc/40/30/03/396403003.db2.gz UEHLELXVFCNXHX-CABCVRRESA-N 0 0 301.346 0.918 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190222354 396403524 /nfs/dbraw/zinc/40/35/24/396403524.db2.gz BKIRLJAYIFOUSE-ZDUSSCGKSA-N 0 0 324.402 0.921 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190671586 396409541 /nfs/dbraw/zinc/40/95/41/396409541.db2.gz WXVUIOXOVMXNIP-LLVKDONJSA-N 0 0 303.362 0.925 10 0 DCAERN COCCN1CCCN(C[C@@H](O)COC(C)(C)C)CC1=O ZINC000190763927 396411182 /nfs/dbraw/zinc/41/11/82/396411182.db2.gz WTOSXIJBKGLUQH-CYBMUJFWSA-N 0 0 302.415 0.343 10 0 DCAERN CC(C)[C@H](CNC(=O)N1C[C@@H](C)[C@H](CO)C1)N1CCOCC1 ZINC000190780760 396411237 /nfs/dbraw/zinc/41/12/37/396411237.db2.gz NMTIOGRQDWQXDM-ILXRZTDVSA-N 0 0 313.442 0.613 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000190983575 396413985 /nfs/dbraw/zinc/41/39/85/396413985.db2.gz RURKFTSUXQABMC-MRVPVSSYSA-N 0 0 303.409 0.659 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCCN(C)C(=O)C2)cc1F ZINC000191100725 396415749 /nfs/dbraw/zinc/41/57/49/396415749.db2.gz YDLPVJDLZYOOCP-UHFFFAOYSA-N 0 0 307.369 0.914 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191217155 396416586 /nfs/dbraw/zinc/41/65/86/396416586.db2.gz JMKAASVTHNFTBA-SDDRHHMPSA-N 0 0 304.412 0.199 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccncn3)CCO2)[nH]1 ZINC000191266996 396417615 /nfs/dbraw/zinc/41/76/15/396417615.db2.gz PZXFKEGBYJDCRC-LBPRGKRZSA-N 0 0 302.338 0.436 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOCC(F)F)CCS1(=O)=O ZINC000191587807 396422183 /nfs/dbraw/zinc/42/21/83/396422183.db2.gz HRMPGXQDBZUDCQ-MRVPVSSYSA-N 0 0 300.327 0.097 10 0 DCAERN C[C@H](NC(=O)N1CCCN(C)C(=O)C1)c1nnc2ccccn21 ZINC000191928825 396426993 /nfs/dbraw/zinc/42/69/93/396426993.db2.gz CTJAQAZMYAQTLI-NSHDSACASA-N 0 0 316.365 0.664 10 0 DCAERN COc1c(CN2CCS(=O)(=O)C[C@H](C)C2)c(C)nn1C ZINC000192065927 396429400 /nfs/dbraw/zinc/42/94/00/396429400.db2.gz JRHMUPSQCUGKJJ-SNVBAGLBSA-N 0 0 301.412 0.604 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)[C@H]1CCCN1c1nccs1 ZINC000192531289 396432574 /nfs/dbraw/zinc/43/25/74/396432574.db2.gz UMXSAZPJCVXFHW-LLVKDONJSA-N 0 0 308.407 0.849 10 0 DCAERN CCn1cc([C@@H]2CN(CCN3CCO[C@H](C)C3)CCO2)cn1 ZINC000192846310 396438666 /nfs/dbraw/zinc/43/86/66/396438666.db2.gz ZZCKTWFGENZTNC-ZBFHGGJFSA-N 0 0 308.426 0.997 10 0 DCAERN CC[C@@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000192854235 396438697 /nfs/dbraw/zinc/43/86/97/396438697.db2.gz MKTCKXBERGWUAT-NEPJUHHUSA-N 0 0 308.382 0.765 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000192871928 396439832 /nfs/dbraw/zinc/43/98/32/396439832.db2.gz CNOHZTSPNZJZPU-ZWNOBZJWSA-N 0 0 315.366 0.836 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000188083510 396378852 /nfs/dbraw/zinc/37/88/52/396378852.db2.gz XPZYKXUQFVFMHH-JTQLQIEISA-N 0 0 307.325 0.293 10 0 DCAERN CN1CCCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1=O ZINC000188171443 396379699 /nfs/dbraw/zinc/37/96/99/396379699.db2.gz IRJUZJFDNYHTGO-UHFFFAOYSA-N 0 0 321.381 0.198 10 0 DCAERN CSCCCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000188223568 396380348 /nfs/dbraw/zinc/38/03/48/396380348.db2.gz NBNQNYCBRPPKPE-UHFFFAOYSA-N 0 0 323.422 0.780 10 0 DCAERN CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000580942765 396512691 /nfs/dbraw/zinc/51/26/91/396512691.db2.gz AQEOIBJCCBKKER-OCCSQVGLSA-N 0 0 321.421 0.905 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000193277112 396448030 /nfs/dbraw/zinc/44/80/30/396448030.db2.gz HYAHZAWLXZFWFG-LLVKDONJSA-N 0 0 324.356 0.338 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000269974774 396456930 /nfs/dbraw/zinc/45/69/30/396456930.db2.gz LUGTXURUTGHDMF-JTQLQIEISA-N 0 0 303.771 0.634 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000371600335 396472018 /nfs/dbraw/zinc/47/20/18/396472018.db2.gz YIVNFAAWPBDKPV-SNVBAGLBSA-N 0 0 312.329 0.810 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000371632153 396472632 /nfs/dbraw/zinc/47/26/32/396472632.db2.gz GAEQLRDKWJNNBE-AVGNSLFASA-N 0 0 312.366 0.034 10 0 DCAERN COc1cc(CN2CC(N3CCNC3=O)C2)cc2c1OCCO2 ZINC000291402800 396488476 /nfs/dbraw/zinc/48/84/76/396488476.db2.gz FFUUGTOUTKGZLG-UHFFFAOYSA-N 0 0 319.361 0.676 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@]23CCOC3=O)C1 ZINC000372475248 396520139 /nfs/dbraw/zinc/52/01/39/396520139.db2.gz STCVTHUKTDHHHN-IAQYHMDHSA-N 0 0 324.381 0.281 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1C[C@H](F)C[C@@H]1CO ZINC000372509911 396523171 /nfs/dbraw/zinc/52/31/71/396523171.db2.gz ZBRNUIKRSIBXJL-ZYHUDNBSSA-N 0 0 301.362 0.550 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C[C@@H]1OC ZINC000372852271 396549933 /nfs/dbraw/zinc/54/99/33/396549933.db2.gz PDAKHAQAQTVQER-LBELIVKGSA-N 0 0 311.382 0.051 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1ccc(=O)[nH]c1 ZINC000292596422 396558698 /nfs/dbraw/zinc/55/86/98/396558698.db2.gz WJUQTDOWXLSDTD-VIFPVBQESA-N 0 0 302.377 0.646 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC000373006550 396559637 /nfs/dbraw/zinc/55/96/37/396559637.db2.gz HIGZSETYCSXBRZ-ZDUSSCGKSA-N 0 0 321.352 0.941 10 0 DCAERN CCOC(=O)C1=NN=C2C=CC(Br)=CN2[C@@H]1O ZINC000585656079 396648553 /nfs/dbraw/zinc/64/85/53/396648553.db2.gz DRSNOWJFPGLUBI-SECBINFHSA-N 0 0 300.112 0.744 10 0 DCAERN COc1cc(C(=O)N2CCN3CCOC[C@H]3C2)cc(OC)c1O ZINC000373398989 396589022 /nfs/dbraw/zinc/58/90/22/396589022.db2.gz NKCOARLNNYHRHM-GFCCVEGCSA-N 0 0 322.361 0.566 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000373492237 396593881 /nfs/dbraw/zinc/59/38/81/396593881.db2.gz CERBFBSJJDWZTC-TZMCWYRMSA-N 0 0 310.394 0.651 10 0 DCAERN Cn1ccnc1[C@@H]1CN(c2ccnc(C(N)=O)c2)CCN1C ZINC000373669622 396606361 /nfs/dbraw/zinc/60/63/61/396606361.db2.gz CJJZWULGTVBYFH-ZDUSSCGKSA-N 0 0 300.366 0.407 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000373749890 396611663 /nfs/dbraw/zinc/61/16/63/396611663.db2.gz CQFFOWWEKLJYJJ-UEKVPHQBSA-N 0 0 309.366 0.391 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373754644 396611959 /nfs/dbraw/zinc/61/19/59/396611959.db2.gz QQYNQLPRJJXCKN-WDEREUQCSA-N 0 0 309.366 0.535 10 0 DCAERN CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560998531 396627307 /nfs/dbraw/zinc/62/73/07/396627307.db2.gz CODAVVUGKYQLGB-UHFFFAOYSA-N 0 0 303.366 0.729 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)CN2CCOCC2=O)C1 ZINC000374101340 396638863 /nfs/dbraw/zinc/63/88/63/396638863.db2.gz YFTDYSNPPRMLIQ-BARDWOONSA-N 0 0 324.421 0.633 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)CN2CCOCC2=O)C1 ZINC000374101345 396638889 /nfs/dbraw/zinc/63/88/89/396638889.db2.gz YFTDYSNPPRMLIQ-TUVASFSCSA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374132131 396641460 /nfs/dbraw/zinc/64/14/60/396641460.db2.gz LIBCPESLRXPTIS-BJJPWKGXSA-N 0 0 310.394 0.696 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000374409312 396661755 /nfs/dbraw/zinc/66/17/55/396661755.db2.gz NAIAOEFWKWNRNQ-ABAIWWIYSA-N 0 0 315.373 0.653 10 0 DCAERN O=C(CCc1ccncc1)NCCCN1CCCS1(=O)=O ZINC000586763020 396663717 /nfs/dbraw/zinc/66/37/17/396663717.db2.gz IVDWMMADKUFNEQ-UHFFFAOYSA-N 0 0 311.407 0.556 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1cccnc1 ZINC000586785096 396665365 /nfs/dbraw/zinc/66/53/65/396665365.db2.gz KRTXHVINCLJWLB-UHFFFAOYSA-N 0 0 312.395 0.306 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000374567849 396673043 /nfs/dbraw/zinc/67/30/43/396673043.db2.gz GDSHPVMEGWSFEO-ZIAGYGMSSA-N 0 0 319.409 0.383 10 0 DCAERN C[C@H](O)CNc1cc(N2CCN(CC(F)F)CC2)ncn1 ZINC000294558085 396681328 /nfs/dbraw/zinc/68/13/28/396681328.db2.gz WYPOOLKICPDSTB-JTQLQIEISA-N 0 0 301.341 0.656 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC000294560524 396681576 /nfs/dbraw/zinc/68/15/76/396681576.db2.gz OKJUUTGWNOMTSU-GFCCVEGCSA-N 0 0 324.406 0.508 10 0 DCAERN NC(=O)[C@H](O)C1CCN(c2ncncc2Br)CC1 ZINC000299741448 396713186 /nfs/dbraw/zinc/71/31/86/396713186.db2.gz DXSHSZYOLSNMSU-SECBINFHSA-N 0 0 315.171 0.302 10 0 DCAERN CCOc1cncc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739368 396713488 /nfs/dbraw/zinc/71/34/88/396713488.db2.gz NQXWEXLPOGKIAA-SNVBAGLBSA-N 0 0 317.353 0.407 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000299914262 396713954 /nfs/dbraw/zinc/71/39/54/396713954.db2.gz FEDLJUWRIVVWDF-WDEREUQCSA-N 0 0 308.400 0.083 10 0 DCAERN NC(=O)c1cncc(NC[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000301625234 396717053 /nfs/dbraw/zinc/71/70/53/396717053.db2.gz ZODQYJHBCMIIML-QMMMGPOBSA-N 0 0 303.288 0.872 10 0 DCAERN CNC(=O)c1cccnc1N1CCCN(c2cccnn2)CC1 ZINC000301437686 396717365 /nfs/dbraw/zinc/71/73/65/396717365.db2.gz XEEGQURLNZUHNE-UHFFFAOYSA-N 0 0 312.377 0.948 10 0 DCAERN Cc1ccn(-c2ccc(N3CCO[C@@]4(CCOC4)C3)nn2)n1 ZINC000302214205 396718037 /nfs/dbraw/zinc/71/80/37/396718037.db2.gz GKASLXBULDCPHA-HNNXBMFYSA-N 0 0 301.350 0.966 10 0 DCAERN O=c1ccnc2sc(N3CC(O)(c4ccc(F)cc4)C3)nn21 ZINC000302286397 396718647 /nfs/dbraw/zinc/71/86/47/396718647.db2.gz KBHJNZYXYWWNDW-UHFFFAOYSA-N 0 0 318.333 0.998 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000375242716 396720981 /nfs/dbraw/zinc/72/09/81/396720981.db2.gz PVSUBDKNXVTJKQ-OAHLLOKOSA-N 0 0 313.442 0.182 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C3CC3)C2)CCC1 ZINC000589702606 396723196 /nfs/dbraw/zinc/72/31/96/396723196.db2.gz AXEHPXLXBXUBFP-LBPRGKRZSA-N 0 0 317.407 0.770 10 0 DCAERN CS(=O)(=O)c1ccc2ncnc(N3CCNC(=O)CC3)c2c1 ZINC000302874433 396723528 /nfs/dbraw/zinc/72/35/28/396723528.db2.gz DFTUVWSHGIHZFT-UHFFFAOYSA-N 0 0 320.374 0.360 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1O ZINC000375424837 396742514 /nfs/dbraw/zinc/74/25/14/396742514.db2.gz HUGZLXZCLBZNOZ-ZDUSSCGKSA-N 0 0 321.377 0.627 10 0 DCAERN O=C(COc1cccnc1)NCCCN1CCCS1(=O)=O ZINC000590314102 396757972 /nfs/dbraw/zinc/75/79/72/396757972.db2.gz BYUMGVUBLZKGSP-UHFFFAOYSA-N 0 0 313.379 0.002 10 0 DCAERN CCOC(=O)C[C@@H](O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000312709847 396766757 /nfs/dbraw/zinc/76/67/57/396766757.db2.gz PENXOEGDCWSLFB-GFCCVEGCSA-N 0 0 307.412 0.057 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](O)C(C)(C)C2)C[C@H](C)O1 ZINC000312827706 396768126 /nfs/dbraw/zinc/76/81/26/396768126.db2.gz LVMOFKNMTPYRRC-GRYCIOLGSA-N 0 0 306.428 0.433 10 0 DCAERN CCOC(=O)c1coc(N[C@H]2CS(=O)(=O)C[C@@H]2OC)n1 ZINC000596437932 396777314 /nfs/dbraw/zinc/77/73/14/396777314.db2.gz YHGRYLKORRTUJW-IUCAKERBSA-N 0 0 304.324 0.075 10 0 DCAERN Cc1cc[nH]c(=O)c1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328625233 396824761 /nfs/dbraw/zinc/82/47/61/396824761.db2.gz KMQXMGACGZLYTE-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN CCCn1cc(CN2CC(N3CCn4c(C)nnc4C3)C2)cn1 ZINC000328631375 396827286 /nfs/dbraw/zinc/82/72/86/396827286.db2.gz KLWWOTSEPIJACJ-UHFFFAOYSA-N 0 0 315.425 0.893 10 0 DCAERN Cc1cc(N2CCN(c3cncc4ncnn43)CC2)nnc1C ZINC000328629045 396827299 /nfs/dbraw/zinc/82/72/99/396827299.db2.gz HVPLJVPSSKDIRY-UHFFFAOYSA-N 0 0 310.365 0.858 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)nc(C)n1 ZINC000328637456 396828350 /nfs/dbraw/zinc/82/83/50/396828350.db2.gz VYZZVMQXOLAYCZ-ZDUSSCGKSA-N 0 0 300.366 0.945 10 0 DCAERN CN1CCN(C(=O)COC[C@H]2CCCO2)C[C@@H]1c1ncc[nH]1 ZINC000328643839 396829444 /nfs/dbraw/zinc/82/94/44/396829444.db2.gz YZQXPHDRMLVUKV-CHWSQXEVSA-N 0 0 308.382 0.420 10 0 DCAERN O=C1[C@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678221 396831429 /nfs/dbraw/zinc/83/14/29/396831429.db2.gz SRDHGIDENMIUNP-YPMHNXCESA-N 0 0 322.327 0.765 10 0 DCAERN O=S1(=O)[N-]C(CN2CC[NH+](C3CC3)CC2)=Nc2ccccc21 ZINC000328881424 396834024 /nfs/dbraw/zinc/83/40/24/396834024.db2.gz WMVQSDNJELWHPT-UHFFFAOYSA-N 0 0 320.418 0.789 10 0 DCAERN O=C(Nc1cc(C(=O)N2CC(n3ccnn3)C2)ccn1)C1CC1 ZINC000376051020 396868841 /nfs/dbraw/zinc/86/88/41/396868841.db2.gz SAQJLZNHVHPGJD-UHFFFAOYSA-N 0 0 312.333 0.719 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000564625101 396846852 /nfs/dbraw/zinc/84/68/52/396846852.db2.gz SZRREVIYIKWGFJ-INIZCTEOSA-N 0 0 303.362 0.930 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938699 396846911 /nfs/dbraw/zinc/84/69/11/396846911.db2.gz UTIXAFFUWDVXGT-FMKPAKJESA-N 0 0 323.437 0.661 10 0 DCAERN N[C@H](C(=O)NCc1n[nH]cc1Br)C(F)(F)F ZINC000564797325 396870657 /nfs/dbraw/zinc/87/06/57/396870657.db2.gz SIDPRHKIOCFTPI-RXMQYKEDSA-N 0 0 301.066 0.678 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000564750737 396865618 /nfs/dbraw/zinc/86/56/18/396865618.db2.gz ITFHZIUOODPRKF-OCCSQVGLSA-N 0 0 318.439 0.985 10 0 DCAERN Cc1ncc2n1C[C@H](C(=O)NCc1cnc(N(C)C)n1C)CC2 ZINC000564112457 396812348 /nfs/dbraw/zinc/81/23/48/396812348.db2.gz HYJGJIDTMHJEBE-GFCCVEGCSA-N 0 0 316.409 0.870 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 ZINC000611529468 396881063 /nfs/dbraw/zinc/88/10/63/396881063.db2.gz MYCXTIOYHUIXIN-UHFFFAOYSA-N 0 0 304.310 0.047 10 0 DCAERN C[C@@H]1C[C@H]1Cn1c(=O)c(I)cn(C)c1=O ZINC000600531302 396884864 /nfs/dbraw/zinc/88/48/64/396884864.db2.gz DAXQWXMKMVKXLU-RQJHMYQMSA-N 0 0 320.130 0.808 10 0 DCAERN C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376154171 396885321 /nfs/dbraw/zinc/88/53/21/396885321.db2.gz DCEPLAHSZZNAGT-HIFRSBDPSA-N 0 0 318.373 0.809 10 0 DCAERN CC(=O)N1CCN(C(=O)CS[C@@H]2COC(C)(C)C2)CC1 ZINC000600573380 396891455 /nfs/dbraw/zinc/89/14/55/396891455.db2.gz HNWFFVZAATUQJN-LBPRGKRZSA-N 0 0 300.424 0.978 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCO[C@@H]1C)[C@@H](C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000332817308 396894692 /nfs/dbraw/zinc/89/46/92/396894692.db2.gz MGXIHEDSHMGINA-FAYOZSNISA-N 0 0 312.410 0.846 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332917296 396905023 /nfs/dbraw/zinc/90/50/23/396905023.db2.gz ZDOMNKNNZJJQSR-MROQNXINSA-N 0 0 309.370 0.163 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000376400141 396922708 /nfs/dbraw/zinc/92/27/08/396922708.db2.gz JXPDDYJNPSWELZ-GMXVVIOVSA-N 0 0 313.398 0.489 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)CCO1 ZINC000333462828 396926273 /nfs/dbraw/zinc/92/62/73/396926273.db2.gz LZXNIPKKNWTLME-JHJVBQTASA-N 0 0 314.411 0.812 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1F ZINC000625596667 396942711 /nfs/dbraw/zinc/94/27/11/396942711.db2.gz LMFQUGPTVUXLPY-ZJUUUORDSA-N 0 0 309.746 0.907 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000571362443 396943430 /nfs/dbraw/zinc/94/34/30/396943430.db2.gz QVFFNFHLKRPURD-SUMWQHHRSA-N 0 0 323.437 0.613 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 ZINC000376630302 396954232 /nfs/dbraw/zinc/95/42/32/396954232.db2.gz ZOAPHBFPHJZMNG-SNVBAGLBSA-N 0 0 304.394 0.842 10 0 DCAERN COC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCCC1 ZINC000618677739 397011589 /nfs/dbraw/zinc/01/15/89/397011589.db2.gz XLMMSDAJCJUURV-GFCCVEGCSA-N 0 0 318.439 0.828 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2c1ncn2C ZINC000618686565 397012766 /nfs/dbraw/zinc/01/27/66/397012766.db2.gz BYNOMVZQRFUPTH-RKDXNWHRSA-N 0 0 320.353 0.232 10 0 DCAERN NC(=O)c1cn(C2CN(c3nc(C(F)(F)F)ns3)C2)nn1 ZINC000572187404 397031576 /nfs/dbraw/zinc/03/15/76/397031576.db2.gz QJQCVFRGMZYBDL-UHFFFAOYSA-N 0 0 319.272 0.309 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2ncsc2Br)C1 ZINC000572733794 397088890 /nfs/dbraw/zinc/08/88/90/397088890.db2.gz MKZXETCQMOUWIM-YFKPBYRVSA-N 0 0 319.184 0.788 10 0 DCAERN CCC1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCOCC1 ZINC000572890840 397109711 /nfs/dbraw/zinc/10/97/11/397109711.db2.gz OBHVRSSNJHBZKJ-AWEZNQCLSA-N 0 0 311.426 0.919 10 0 DCAERN CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630575424 397050381 /nfs/dbraw/zinc/05/03/81/397050381.db2.gz ZHNCDNKGBQXCNR-UONOGXRCSA-N 0 0 307.394 0.767 10 0 DCAERN CCc1nnc2n1C[C@@H](NC(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000630878039 397127140 /nfs/dbraw/zinc/12/71/40/397127140.db2.gz UGXGQEPIAFGBCA-NWDGAFQWSA-N 0 0 305.382 0.282 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCc2ccnc(C)n2)CC1 ZINC000619469763 397134951 /nfs/dbraw/zinc/13/49/51/397134951.db2.gz QRTOTQABXCMWEW-UHFFFAOYSA-N 0 0 308.407 0.709 10 0 DCAERN CC(=O)c1cn(Cc2nc(C3CCC3)no2)c(=O)n(C)c1=O ZINC000631010539 397156136 /nfs/dbraw/zinc/15/61/36/397156136.db2.gz DRTHTOMXNYACHR-UHFFFAOYSA-N 0 0 304.306 0.448 10 0 DCAERN COc1cc(C)c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1OC ZINC000364072330 397179036 /nfs/dbraw/zinc/17/90/36/397179036.db2.gz ZYDAUSMXSXLAHD-LLVKDONJSA-N 0 0 319.361 0.862 10 0 DCAERN CC(C)(O)CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000573486803 397172677 /nfs/dbraw/zinc/17/26/77/397172677.db2.gz RMKSSVWZYJSPSW-UHFFFAOYSA-N 0 0 321.377 0.349 10 0 DCAERN C[C@H](CCNC(=O)N[C@H]1CCC(=O)NC12CCC2)[S@](C)=O ZINC000619800666 397195196 /nfs/dbraw/zinc/19/51/96/397195196.db2.gz VWPDZTCKPFQNEQ-NNOLRYQLSA-N 0 0 315.439 0.644 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CCN(CC)C2=O)CC1 ZINC000619803555 397196286 /nfs/dbraw/zinc/19/62/86/397196286.db2.gz LYWHJLAIUGONPP-LBPRGKRZSA-N 0 0 311.382 0.592 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(CC)C2=O)C1 ZINC000619829231 397197606 /nfs/dbraw/zinc/19/76/06/397197606.db2.gz HHEAPFUQEKEKNF-NEPJUHHUSA-N 0 0 311.382 0.592 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2cccc(C[S@](C)=O)c2)C1=O ZINC000619825126 397197710 /nfs/dbraw/zinc/19/77/10/397197710.db2.gz IBLUAIMXASGDIT-ASSNKEHSSA-N 0 0 308.403 0.916 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCC(=O)NC(N)=O)CC2 ZINC000364540225 397216442 /nfs/dbraw/zinc/21/64/42/397216442.db2.gz IWVHPOXISSSJEL-VIFPVBQESA-N 0 0 321.381 0.339 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H](CO)C2)C[C@@H](C)O1 ZINC000378238536 397217634 /nfs/dbraw/zinc/21/76/34/397217634.db2.gz YICLVXWKHZSTPL-UPJWGTAASA-N 0 0 306.428 0.435 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@@H](F)C[C@@H]1CO ZINC000364565439 397221170 /nfs/dbraw/zinc/22/11/70/397221170.db2.gz VQMPLBPRCPPHCK-VHSXEESVSA-N 0 0 317.338 0.551 10 0 DCAERN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCOCC[C@@H]1C ZINC000378512079 397250669 /nfs/dbraw/zinc/25/06/69/397250669.db2.gz YQNCSDVKIMMKIG-NSHDSACASA-N 0 0 324.381 0.646 10 0 DCAERN COc1cccc2c1CCN(C(=O)CN1CCOCC1)CC2 ZINC000364762888 397244590 /nfs/dbraw/zinc/24/45/90/397244590.db2.gz UMHOYSBXVBMYCA-UHFFFAOYSA-N 0 0 304.390 0.955 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)C(C)C ZINC000620405881 397266833 /nfs/dbraw/zinc/26/68/33/397266833.db2.gz WMILPTUKBZCZPH-KGLIPLIRSA-N 0 0 311.426 0.910 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCc1oc(C)nc1C ZINC000380529431 397269727 /nfs/dbraw/zinc/26/97/27/397269727.db2.gz FBUTUEUIKFLQLQ-UHFFFAOYSA-N 0 0 305.356 0.121 10 0 DCAERN COC[C@](C)(CO)NC(=O)CCc1ccc(C(=O)OC)cc1 ZINC000613534156 397274458 /nfs/dbraw/zinc/27/44/58/397274458.db2.gz KCZUKKDSDGNCFD-INIZCTEOSA-N 0 0 309.362 0.919 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C2CC(F)(F)C2)cc1 ZINC000383330022 397276981 /nfs/dbraw/zinc/27/69/81/397276981.db2.gz UZWVWYVUMBZAAV-UHFFFAOYSA-N 0 0 304.318 0.996 10 0 DCAERN O=C(c1cc2nccnc2cc1F)N1CCN2CCOC[C@@H]2C1 ZINC000365547346 397292549 /nfs/dbraw/zinc/29/25/49/397292549.db2.gz ODNSXEAGJDSUII-NSHDSACASA-N 0 0 316.336 0.926 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C[C@H](C)O1 ZINC000365551220 397294058 /nfs/dbraw/zinc/29/40/58/397294058.db2.gz WBZNHSBKVYKWRJ-OBPIAQAESA-N 0 0 318.439 0.744 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CN1C(=O)Cc2ccccc21 ZINC000613414885 397256432 /nfs/dbraw/zinc/25/64/32/397256432.db2.gz GMGFUDSLKYXPDS-CQSZACIVSA-N 0 0 316.357 0.782 10 0 DCAERN C[C@@H]1CC(CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000407955246 397336243 /nfs/dbraw/zinc/33/62/43/397336243.db2.gz QRDLCZKLYTXWLZ-CKYFFXLPSA-N 0 0 319.427 0.262 10 0 DCAERN C[C@H](C(=O)N1CCN[C@@H](c2ccncc2)C1)N1CCOCC1 ZINC000407969479 397341518 /nfs/dbraw/zinc/34/15/18/397341518.db2.gz XEDOKIKVQNOAPZ-UKRRQHHQSA-N 0 0 304.394 0.275 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407973216 397342710 /nfs/dbraw/zinc/34/27/10/397342710.db2.gz POJQLPPPQUQAJI-UHFFFAOYSA-N 0 0 305.382 0.553 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000408079705 397346522 /nfs/dbraw/zinc/34/65/22/397346522.db2.gz NUAKBIBLOKBVHA-GVXVVHGQSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@H]1C[C@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000408077560 397346549 /nfs/dbraw/zinc/34/65/49/397346549.db2.gz ZBDQLHALQFRDRR-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCCC1 ZINC000408257402 397351343 /nfs/dbraw/zinc/35/13/43/397351343.db2.gz STBXPISZAPDWQT-UTUOFQBUSA-N 0 0 302.396 0.601 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)C1COC1 ZINC000408364227 397354363 /nfs/dbraw/zinc/35/43/63/397354363.db2.gz IVDAIONSHNIEOW-USWWRNFRSA-N 0 0 303.380 0.521 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389208 397355762 /nfs/dbraw/zinc/35/57/62/397355762.db2.gz ZJIKDGXWTSHXMA-HTQZYQBOSA-N 0 0 320.802 0.348 10 0 DCAERN COc1cc(CN2C[C@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271819 397361358 /nfs/dbraw/zinc/36/13/58/397361358.db2.gz UOEQRALSEXHEHI-NXEZZACHSA-N 0 0 317.183 0.780 10 0 DCAERN CCc1cc(CNC(=O)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)on1 ZINC000577882044 397368982 /nfs/dbraw/zinc/36/89/82/397368982.db2.gz KRHYWEIHUFUZRE-SECBINFHSA-N 0 0 319.365 0.632 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@@H]1CO ZINC000366509077 397369528 /nfs/dbraw/zinc/36/95/28/397369528.db2.gz CKCMUYYDWFUPIK-UMSGYPCISA-N 0 0 318.439 0.755 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN[C@@H]3C2)s1 ZINC000404173728 397328666 /nfs/dbraw/zinc/32/86/66/397328666.db2.gz WVQIFFFSNCFYQB-MNOVXSKESA-N 0 0 302.421 0.808 10 0 DCAERN CC(C)[C@@H](C)N(C)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459960398 397438325 /nfs/dbraw/zinc/43/83/25/397438325.db2.gz IQBFUZYCSIXNAW-MLGOLLRUSA-N 0 0 309.410 0.618 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000467115165 397446165 /nfs/dbraw/zinc/44/61/65/397446165.db2.gz GEIZKIQQRAEZOH-QJPTWQEYSA-N 0 0 306.428 0.588 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H](F)C[C@@H]3CO)no2)c1 ZINC000366684652 397389362 /nfs/dbraw/zinc/38/93/62/397389362.db2.gz SXQDCJLMNQZXEP-WDEREUQCSA-N 0 0 308.313 0.773 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@@H](C)c2nccn2C)C(C)(C)C1 ZINC000578169909 397398824 /nfs/dbraw/zinc/39/88/24/397398824.db2.gz JIVYUTGZBRDIKU-LBPRGKRZSA-N 0 0 322.409 0.967 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000368282156 397417804 /nfs/dbraw/zinc/41/78/04/397417804.db2.gz FECYGAFHDDLMLW-CYBMUJFWSA-N 0 0 308.382 0.560 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCSC1 ZINC000487128287 397466685 /nfs/dbraw/zinc/46/66/85/397466685.db2.gz DXBICPJWHOZGPE-LPEHRKFASA-N 0 0 302.396 0.312 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC000487135657 397467454 /nfs/dbraw/zinc/46/74/54/397467454.db2.gz WLYFYDUYZXENTA-IUCAKERBSA-N 0 0 310.354 0.158 10 0 DCAERN COC[C@@H](NC(=O)CSCC(N)=O)c1ccc(F)cc1 ZINC000487951848 397479896 /nfs/dbraw/zinc/47/98/96/397479896.db2.gz RXZOUOXEVNNFJO-LLVKDONJSA-N 0 0 300.355 0.848 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnc(C)s1 ZINC000488294039 397488656 /nfs/dbraw/zinc/48/86/56/397488656.db2.gz KKQLJIVLCKNLCE-JGVFFNPUSA-N 0 0 313.379 0.638 10 0 DCAERN CCC[C@H](O)CC(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614649477 397491190 /nfs/dbraw/zinc/49/11/90/397491190.db2.gz UCOSNTUVXKMEAS-LBPRGKRZSA-N 0 0 300.399 0.633 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](C)O[C@@H](CO)C2)s1 ZINC000602816679 397492860 /nfs/dbraw/zinc/49/28/60/397492860.db2.gz RDMFOMGLFJIFPY-NXEZZACHSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(C)(C)O ZINC000578951623 397505368 /nfs/dbraw/zinc/50/53/68/397505368.db2.gz JDKROYBAUWMAHT-UWVGGRQHSA-N 0 0 302.371 0.110 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000371325971 397572923 /nfs/dbraw/zinc/57/29/23/397572923.db2.gz HGQLHGLZQRVHIG-CYBMUJFWSA-N 0 0 308.407 0.848 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)CN1C[C@H](O)Cc2ccccc21 ZINC000579548984 397578443 /nfs/dbraw/zinc/57/84/43/397578443.db2.gz DTOJGPJREPFPEB-OWCLPIDISA-N 0 0 307.390 0.967 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000370946766 397527434 /nfs/dbraw/zinc/52/74/34/397527434.db2.gz HJOSARVMRLGBFR-CQSZACIVSA-N 0 0 320.414 0.554 10 0 DCAERN Cc1nc(CNC(=O)[C@@H](C)Sc2nnnn2C2CC2)no1 ZINC000605369947 397663957 /nfs/dbraw/zinc/66/39/57/397663957.db2.gz CCCHBYKEASOYNC-ZCFIWIBFSA-N 0 0 309.355 0.496 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1Cc2ccccc21 ZINC000607898160 397706206 /nfs/dbraw/zinc/70/62/06/397706206.db2.gz VESQBPQXJUFVKH-CQSZACIVSA-N 0 0 308.403 0.868 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CS(=O)(=O)C(C)C ZINC000609889190 397796810 /nfs/dbraw/zinc/79/68/10/397796810.db2.gz DJSXROWNRUIDHW-NSHDSACASA-N 0 0 305.396 0.752 10 0 DCAERN CSCCNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000609950780 397799169 /nfs/dbraw/zinc/79/91/69/397799169.db2.gz VFOICRKBAABTQH-UHFFFAOYSA-N 0 0 323.418 0.941 10 0 DCAERN CO[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)C(C)C ZINC000608664436 397743138 /nfs/dbraw/zinc/74/31/38/397743138.db2.gz BNKMJXVLPFJKDF-GFCCVEGCSA-N 0 0 321.443 0.382 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)c1ccncc1 ZINC000610518398 397828703 /nfs/dbraw/zinc/82/87/03/397828703.db2.gz KMIONJQLMDLSOC-LLVKDONJSA-N 0 0 315.395 0.514 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408245272 286029710 /nfs/dbraw/zinc/02/97/10/286029710.db2.gz TYPKJPILGXYBPZ-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN COc1cc(N2CCN([C@@H]3CCCCNC3=O)CC2)ncn1 ZINC000184068558 286229718 /nfs/dbraw/zinc/22/97/18/286229718.db2.gz ZDSFLOCAJDYJHE-GFCCVEGCSA-N 0 0 305.382 0.276 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177522505 286634501 /nfs/dbraw/zinc/63/45/01/286634501.db2.gz LANCWHGPOHSULR-GFCCVEGCSA-N 0 0 320.374 0.947 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046496394 158002071 /nfs/dbraw/zinc/00/20/71/158002071.db2.gz FYCLGOUBFBPESA-NEPJUHHUSA-N 0 0 301.350 0.837 10 0 DCAERN Cc1nc(SCC(=O)NCCNC(=O)c2ccccc2)n[nH]1 ZINC000053673762 158018078 /nfs/dbraw/zinc/01/80/78/158018078.db2.gz OAGUWKYOAAXWCH-UHFFFAOYSA-N 0 0 319.390 0.751 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055247134 158022846 /nfs/dbraw/zinc/02/28/46/158022846.db2.gz QGZHQEYXPDMJQT-LBPRGKRZSA-N 0 0 310.375 0.521 10 0 DCAERN O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cn[nH]n1 ZINC000055624600 158023038 /nfs/dbraw/zinc/02/30/38/158023038.db2.gz KEVZXDHXFCTXER-UHFFFAOYSA-N 0 0 309.329 0.945 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C(N)=O)cn2)C[C@@H](C)O1 ZINC000057257893 158025238 /nfs/dbraw/zinc/02/52/38/158025238.db2.gz UHWWUWABMYKRGP-GHMZBOCLSA-N 0 0 320.393 0.689 10 0 DCAERN CN(C)S(=O)(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066902750 158037933 /nfs/dbraw/zinc/03/79/33/158037933.db2.gz AWLLYWRKFOWGGO-UHFFFAOYSA-N 0 0 317.455 0.954 10 0 DCAERN COCCOCCNC(=O)c1ccc(CNC(C)=O)s1 ZINC000067234555 158039103 /nfs/dbraw/zinc/03/91/03/158039103.db2.gz SBDCVGXHNDRNLI-UHFFFAOYSA-N 0 0 300.380 0.777 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccco1 ZINC000068101028 158041864 /nfs/dbraw/zinc/04/18/64/158041864.db2.gz RUFZSIPOLWEIEO-WDEREUQCSA-N 0 0 307.350 0.512 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)NCC(=O)NCc1ccco1 ZINC000068517164 158043924 /nfs/dbraw/zinc/04/39/24/158043924.db2.gz CKMQJKJNUFTPIA-LLVKDONJSA-N 0 0 310.354 0.239 10 0 DCAERN CC1CCC2(CC(=O)N(C[C@H](O)CN3CCOCC3)C2=O)CC1 ZINC000069167241 158045024 /nfs/dbraw/zinc/04/50/24/158045024.db2.gz LRLIHNVWEMXIAP-XOYHFGRZSA-N 0 0 324.421 0.635 10 0 DCAERN O=C(CN1CCO[C@@H]2CCCC[C@@H]21)N1CCC2(CC1)OCCO2 ZINC000070693883 158047734 /nfs/dbraw/zinc/04/77/34/158047734.db2.gz GQGBOYHFENWZRO-LSDHHAIUSA-N 0 0 324.421 0.995 10 0 DCAERN CCC(CC)NC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000073894170 158057529 /nfs/dbraw/zinc/05/75/29/158057529.db2.gz MSCSWCJAEMWZKV-UHFFFAOYSA-N 0 0 314.430 0.265 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000074223949 158058205 /nfs/dbraw/zinc/05/82/05/158058205.db2.gz GPNATLBPHYSEKG-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000074223954 158058337 /nfs/dbraw/zinc/05/83/37/158058337.db2.gz GPNATLBPHYSEKG-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)CC1)c1nc(C(C)(C)C)no1 ZINC000074897618 158060579 /nfs/dbraw/zinc/06/05/79/158060579.db2.gz KYJDCUZUTUVSTG-SECBINFHSA-N 0 0 309.370 0.960 10 0 DCAERN CCCn1nccc1NC(=O)CN1C(=O)N[C@](C)(CC)C1=O ZINC000075598417 158062441 /nfs/dbraw/zinc/06/24/41/158062441.db2.gz NPSXQAUOXBUMMJ-CQSZACIVSA-N 0 0 307.354 0.952 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](OC)C1 ZINC000076245618 158065259 /nfs/dbraw/zinc/06/52/59/158065259.db2.gz BDNQADDOVMXFRP-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000077474472 158068110 /nfs/dbraw/zinc/06/81/10/158068110.db2.gz XWQDPVZLUHJXSG-MFKMUULPSA-N 0 0 312.391 0.438 10 0 DCAERN CCOCCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077720492 158068859 /nfs/dbraw/zinc/06/88/59/158068859.db2.gz MBXQHXMMLGZTOY-UHFFFAOYSA-N 0 0 304.306 0.828 10 0 DCAERN CCCCn1nccc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000078802742 158075791 /nfs/dbraw/zinc/07/57/91/158075791.db2.gz NXDGGFSSEUKSQU-UHFFFAOYSA-N 0 0 307.354 0.952 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000079051786 158076307 /nfs/dbraw/zinc/07/63/07/158076307.db2.gz ZBFNZIZHNYIKQY-QPUJVOFHSA-N 0 0 321.299 0.458 10 0 DCAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC1(C)COC1 ZINC000083521809 158087447 /nfs/dbraw/zinc/08/74/47/158087447.db2.gz TWDIFADEDBHQEY-SNVBAGLBSA-N 0 0 324.468 0.200 10 0 DCAERN O=C(C(=O)N1CCN([C@H]2CCCC[C@H]2O)CC1)N1CCCC1 ZINC000089886122 158100192 /nfs/dbraw/zinc/10/01/92/158100192.db2.gz IZCXCXMMXOSSPH-UONOGXRCSA-N 0 0 309.410 0.057 10 0 DCAERN CNC(=O)NCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000090064109 158101594 /nfs/dbraw/zinc/10/15/94/158101594.db2.gz HFVRJFCRJNFZRB-NSHDSACASA-N 0 0 301.350 0.979 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@](C)(O)CO)c1 ZINC000090286304 158102874 /nfs/dbraw/zinc/10/28/74/158102874.db2.gz IZKUTGNFHAGWQD-LBPRGKRZSA-N 0 0 318.167 0.931 10 0 DCAERN C[C@](O)(CO)CNC(=O)COc1ccc(Br)cc1 ZINC000090283974 158103301 /nfs/dbraw/zinc/10/33/01/158103301.db2.gz CCKCAJDWKLBUHB-GFCCVEGCSA-N 0 0 318.167 0.687 10 0 DCAERN O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CN2CCN1CC2 ZINC000090699024 158104611 /nfs/dbraw/zinc/10/46/11/158104611.db2.gz DTPGSRPREMBMHC-VQCVXAJWSA-N 0 0 307.419 0.577 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091070983 158106023 /nfs/dbraw/zinc/10/60/23/158106023.db2.gz BUGSGCHFDRNKLL-UHFFFAOYSA-N 0 0 317.345 0.932 10 0 DCAERN CCCN1c2ccc(NC(=O)CNC(N)=O)cc2CCC1=O ZINC000091062407 158106348 /nfs/dbraw/zinc/10/63/48/158106348.db2.gz KLLBHWPCKCTFPY-UHFFFAOYSA-N 0 0 304.350 0.983 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H](C)CS(C)(=O)=O)cnc12 ZINC000091055182 158106588 /nfs/dbraw/zinc/10/65/88/158106588.db2.gz YVCPXIBVVGQEQB-SNVBAGLBSA-N 0 0 323.374 0.166 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091630680 158108663 /nfs/dbraw/zinc/10/86/63/158108663.db2.gz PEPKXKZEYHJEPJ-ZDUSSCGKSA-N 0 0 321.425 0.945 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000091778755 158109221 /nfs/dbraw/zinc/10/92/21/158109221.db2.gz VOVYWLWGFJZFAY-CQSZACIVSA-N 0 0 317.320 0.943 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000091781834 158109225 /nfs/dbraw/zinc/10/92/25/158109225.db2.gz MKCBJRYIABBDJX-AWEZNQCLSA-N 0 0 304.346 0.802 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000092229184 158112377 /nfs/dbraw/zinc/11/23/77/158112377.db2.gz RTYDDERVJFTUQX-LBPRGKRZSA-N 0 0 312.753 0.893 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000092421616 158113824 /nfs/dbraw/zinc/11/38/24/158113824.db2.gz MNZAGBQOXOFMQS-HNNXBMFYSA-N 0 0 317.389 0.364 10 0 DCAERN Cc1ccc(CN(C(=O)CN2CCOC[C@H]2C(N)=O)C2CC2)o1 ZINC000092421442 158113948 /nfs/dbraw/zinc/11/39/48/158113948.db2.gz QTYZWQQRDVWLLS-AWEZNQCLSA-N 0 0 321.377 0.265 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000092569783 158115276 /nfs/dbraw/zinc/11/52/76/158115276.db2.gz HSNJHJWWZZNVOT-AAEUAGOBSA-N 0 0 318.439 0.589 10 0 DCAERN CCOCCOCC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092526344 158115863 /nfs/dbraw/zinc/11/58/63/158115863.db2.gz BEAAWRKFKXNESS-UHFFFAOYSA-N 0 0 320.349 0.563 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)NCC1CCC1 ZINC000108867170 158136623 /nfs/dbraw/zinc/13/66/23/158136623.db2.gz IDBZZFIWPVDJPR-UHFFFAOYSA-N 0 0 303.410 0.905 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000113141643 158144629 /nfs/dbraw/zinc/14/46/29/158144629.db2.gz ZIQZMIOOZLQLEV-VIFPVBQESA-N 0 0 322.390 0.867 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113885784 158150113 /nfs/dbraw/zinc/15/01/13/158150113.db2.gz FSJPFJLKGSAISJ-LBPRGKRZSA-N 0 0 312.395 0.499 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114857768 158157757 /nfs/dbraw/zinc/15/77/57/158157757.db2.gz MZZGBQKWWVAGLU-CQSZACIVSA-N 0 0 306.410 0.559 10 0 DCAERN NC(=O)c1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000114855191 158157891 /nfs/dbraw/zinc/15/78/91/158157891.db2.gz PNKNAVUNWMIJCZ-CQSZACIVSA-N 0 0 303.362 0.379 10 0 DCAERN CCOCCO[C@H](C)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114871154 158158896 /nfs/dbraw/zinc/15/88/96/158158896.db2.gz KKQCSFNWKYWWGT-VXGBXAGGSA-N 0 0 310.398 0.713 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCS(C)(=O)=O)CC2 ZINC000114865179 158159088 /nfs/dbraw/zinc/15/90/88/158159088.db2.gz ZWDPMVGAXGFINN-SNVBAGLBSA-N 0 0 314.411 0.096 10 0 DCAERN COCCN1CCN(C(=O)NCCNC(=O)C(C)C)C[C@@H]1C ZINC000117470982 158171795 /nfs/dbraw/zinc/17/17/95/158171795.db2.gz AZGXICMLGXTBDS-ZDUSSCGKSA-N 0 0 314.430 0.121 10 0 DCAERN O=C(COC[C@@H]1CCOC1)NCCc1nnc2n1CCCCC2 ZINC000117749715 158173101 /nfs/dbraw/zinc/17/31/01/158173101.db2.gz DDXASNJKSVSYQN-CYBMUJFWSA-N 0 0 322.409 0.716 10 0 DCAERN Cc1cnn(CCNC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000117809555 158173351 /nfs/dbraw/zinc/17/33/51/158173351.db2.gz PVQOGNWXCWMCQQ-UHFFFAOYSA-N 0 0 311.345 0.718 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1CC ZINC000117925038 158174263 /nfs/dbraw/zinc/17/42/63/158174263.db2.gz HDWKYXUPWOTPTB-UONOGXRCSA-N 0 0 322.471 0.784 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115464 158175789 /nfs/dbraw/zinc/17/57/89/158175789.db2.gz CDFMZPFWLSUJRM-GFCCVEGCSA-N 0 0 320.393 0.138 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000118719199 158177507 /nfs/dbraw/zinc/17/75/07/158177507.db2.gz DKWVCASNUONETN-SNVBAGLBSA-N 0 0 312.391 0.628 10 0 DCAERN CCc1cnccc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000119109035 158182599 /nfs/dbraw/zinc/18/25/99/158182599.db2.gz VLHWSPNILDLCBS-CQSZACIVSA-N 0 0 307.394 0.409 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000119495163 158187164 /nfs/dbraw/zinc/18/71/64/158187164.db2.gz MHTSXUNODGBXKU-AWEZNQCLSA-N 0 0 318.439 0.876 10 0 DCAERN CCOC(=O)CCN(C(=O)Cn1ncn(C)c1=O)C(C)(C)C ZINC000122351024 158221109 /nfs/dbraw/zinc/22/11/09/158221109.db2.gz UNOVPWWEGRVQPP-UHFFFAOYSA-N 0 0 312.370 0.162 10 0 DCAERN O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC(CO)C1 ZINC000122548518 158221852 /nfs/dbraw/zinc/22/18/52/158221852.db2.gz GADISWIJJIXGBG-JTQLQIEISA-N 0 0 310.300 0.768 10 0 DCAERN CN(CC(=O)Nc1ccc(C(N)=O)nc1)C(=O)c1cccs1 ZINC000122766253 158224192 /nfs/dbraw/zinc/22/41/92/158224192.db2.gz VHINCNBCMASPND-UHFFFAOYSA-N 0 0 318.358 0.953 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccnn1C ZINC000123051337 158225837 /nfs/dbraw/zinc/22/58/37/158225837.db2.gz LWPSTHQMHBTCEF-SNVBAGLBSA-N 0 0 300.384 0.563 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000124419006 158242431 /nfs/dbraw/zinc/24/24/31/158242431.db2.gz VHIQXDKASRLXFG-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN CN(C)c1ncc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cn1 ZINC000124588105 158243952 /nfs/dbraw/zinc/24/39/52/158243952.db2.gz SRFIKCGBONMMRL-UHFFFAOYSA-N 0 0 324.348 0.700 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H]1CN(C)CCO1 ZINC000125217777 158251955 /nfs/dbraw/zinc/25/19/55/158251955.db2.gz DYRVWNWTWRZJSR-STQMWFEESA-N 0 0 314.430 0.311 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)O1 ZINC000125465137 158255165 /nfs/dbraw/zinc/25/51/65/158255165.db2.gz YGTBKTZNYFJWSW-KWQFWETISA-N 0 0 318.333 0.138 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CCNC(=O)CC2)c1C ZINC000125640270 158258408 /nfs/dbraw/zinc/25/84/08/158258408.db2.gz IPHFCBSXYWFMOY-UHFFFAOYSA-N 0 0 307.350 0.423 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000125721395 158258809 /nfs/dbraw/zinc/25/88/09/158258809.db2.gz PPUVCOASJXNEOV-SNVBAGLBSA-N 0 0 309.332 0.998 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000126735477 158268120 /nfs/dbraw/zinc/26/81/20/158268120.db2.gz OLYNLDMABCUZIX-OAHLLOKOSA-N 0 0 311.341 0.997 10 0 DCAERN CC(=O)Nc1nc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cs1 ZINC000127531607 158274099 /nfs/dbraw/zinc/27/40/99/158274099.db2.gz GBWYRGMBTBGBIB-NSHDSACASA-N 0 0 324.406 0.695 10 0 DCAERN C[C@@H](CNC(=O)N[C@H](CO)CC(C)(C)C)N1CCOCC1 ZINC000128304913 158279971 /nfs/dbraw/zinc/27/99/71/158279971.db2.gz NQGXJDQRQMPMCH-STQMWFEESA-N 0 0 301.431 0.803 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000128672108 158282351 /nfs/dbraw/zinc/28/23/51/158282351.db2.gz WDMJMFURQLVWPC-QGZVFWFLSA-N 0 0 322.405 0.937 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccnc2ccccc21 ZINC000129074217 158285403 /nfs/dbraw/zinc/28/54/03/158285403.db2.gz UEOHPBPFZFMOBS-ZDUSSCGKSA-N 0 0 315.373 0.658 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(C)(C)C(=O)NC)CC2 ZINC000129332715 158286978 /nfs/dbraw/zinc/28/69/78/158286978.db2.gz IHZIFMRXZICRDO-JTQLQIEISA-N 0 0 322.413 0.227 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCO)cn2)C[C@@H](C)O1 ZINC000129575400 158289643 /nfs/dbraw/zinc/28/96/43/158289643.db2.gz WQZSSDAUKGYPBP-CHWSQXEVSA-N 0 0 322.409 0.829 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000129861196 158291960 /nfs/dbraw/zinc/29/19/60/158291960.db2.gz JCRMRLPLBFDMSY-LBPRGKRZSA-N 0 0 322.365 0.326 10 0 DCAERN COCCNC(=O)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000130157687 158293786 /nfs/dbraw/zinc/29/37/86/158293786.db2.gz FSSNKUSTXKBKIA-UHFFFAOYSA-N 0 0 302.334 0.882 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000130736910 158296957 /nfs/dbraw/zinc/29/69/57/158296957.db2.gz PPXXKPGFGGVTGR-CYBMUJFWSA-N 0 0 322.409 0.805 10 0 DCAERN CCCS(=O)(=O)CC(=O)NCc1nccn1CC(C)C ZINC000131010325 158298587 /nfs/dbraw/zinc/29/85/87/158298587.db2.gz PGCACUYNONFKTR-UHFFFAOYSA-N 0 0 301.412 0.980 10 0 DCAERN CCOCCN1CCN(C(=O)CCCC(=O)OC)C[C@H]1C ZINC000131227265 158300845 /nfs/dbraw/zinc/30/08/45/158300845.db2.gz VJOIEAUNFXACHR-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1C ZINC000131849190 158305718 /nfs/dbraw/zinc/30/57/18/158305718.db2.gz MLQVWLSWEODIBI-UONOGXRCSA-N 0 0 321.425 0.725 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000131914260 158306477 /nfs/dbraw/zinc/30/64/77/158306477.db2.gz NVSUOOLLTVXZGN-SNVBAGLBSA-N 0 0 314.411 0.064 10 0 DCAERN CCn1cc(C(=O)C(=O)N[C@@H](C)C(=O)N2CCCCC2)cn1 ZINC000132160892 158308270 /nfs/dbraw/zinc/30/82/70/158308270.db2.gz XYLIDZWADDFXFP-NSHDSACASA-N 0 0 306.366 0.603 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132604046 158312499 /nfs/dbraw/zinc/31/24/99/158312499.db2.gz WHDWGZQGDHSULH-WDEREUQCSA-N 0 0 306.366 0.380 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132900500 158313945 /nfs/dbraw/zinc/31/39/45/158313945.db2.gz QSYHJWIPMODCTF-YNEHKIRRSA-N 0 0 309.410 0.938 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(CCOCCO)CC1 ZINC000132926611 158315618 /nfs/dbraw/zinc/31/56/18/158315618.db2.gz SGTLGEUKBONCNQ-CQSZACIVSA-N 0 0 313.442 0.060 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)N1CCOCC1 ZINC000133171067 158317084 /nfs/dbraw/zinc/31/70/84/158317084.db2.gz KMBBRZKCBBOBTH-KFWWJZLASA-N 0 0 311.426 0.918 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cc1cnn(C)c1)CC2 ZINC000133642002 158320190 /nfs/dbraw/zinc/32/01/90/158320190.db2.gz NPUHUJBJPRLABZ-LBPRGKRZSA-N 0 0 302.382 0.809 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000133722880 158321568 /nfs/dbraw/zinc/32/15/68/158321568.db2.gz QTHVRIPBMZMFGE-AWEZNQCLSA-N 0 0 322.409 0.395 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135277788 158335270 /nfs/dbraw/zinc/33/52/70/158335270.db2.gz ZFZYWHWFQOQBLV-CYBMUJFWSA-N 0 0 319.409 0.868 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1nnc2n1CCCC2 ZINC000135305102 158335398 /nfs/dbraw/zinc/33/53/98/158335398.db2.gz MFXJZFZRWIJOKG-GHMZBOCLSA-N 0 0 320.397 0.582 10 0 DCAERN C[C@@H](NC(=O)CN1CCCCC1=O)c1nnc2n1CCCC2 ZINC000135246020 158335421 /nfs/dbraw/zinc/33/54/21/158335421.db2.gz JXTWYZKKQDWMHI-LLVKDONJSA-N 0 0 305.382 0.804 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)CC[C@H]1CCOC1)CC2 ZINC000135195135 158335500 /nfs/dbraw/zinc/33/55/00/158335500.db2.gz FIWGSVSWNMOZSK-NWDGAFQWSA-N 0 0 308.382 0.672 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135290209 158335503 /nfs/dbraw/zinc/33/55/03/158335503.db2.gz UEWZNYSZCJQQRG-JTQLQIEISA-N 0 0 314.411 0.616 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cn1 ZINC000135464954 158337322 /nfs/dbraw/zinc/33/73/22/158337322.db2.gz HNPCNRQKWFCWGA-AWEZNQCLSA-N 0 0 315.329 0.909 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cn1 ZINC000135464977 158337418 /nfs/dbraw/zinc/33/74/18/158337418.db2.gz HNPCNRQKWFCWGA-CQSZACIVSA-N 0 0 315.329 0.909 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN2CCOCC23CCC3)C1 ZINC000135539219 158337441 /nfs/dbraw/zinc/33/74/41/158337441.db2.gz LGCJNMOGGGXONR-ZDUSSCGKSA-N 0 0 302.440 0.913 10 0 DCAERN CCN(CC)C(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135716030 158340342 /nfs/dbraw/zinc/34/03/42/158340342.db2.gz VRSJYLPKPJVMLU-ZDUSSCGKSA-N 0 0 317.455 0.355 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000137370612 158344729 /nfs/dbraw/zinc/34/47/29/158344729.db2.gz GBAVFKIXNDAJKD-JTQLQIEISA-N 0 0 310.785 0.908 10 0 DCAERN Cn1c2ccc(NC(=O)NC[C@@H]3CN(C)CCO3)cc2oc1=O ZINC000150862198 158347845 /nfs/dbraw/zinc/34/78/45/158347845.db2.gz OJEAWBVPLMPSNO-LLVKDONJSA-N 0 0 320.349 0.584 10 0 DCAERN COC(=O)c1coc(C(=O)NCCc2nnc3n2CCCC3)c1 ZINC000166219861 158365775 /nfs/dbraw/zinc/36/57/75/158365775.db2.gz CDMWKTYWJAIOKW-UHFFFAOYSA-N 0 0 318.333 0.967 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N(CCO)Cc1ccccc1 ZINC000170240660 158373825 /nfs/dbraw/zinc/37/38/25/158373825.db2.gz JKPWKTSBFSSDIS-CYBMUJFWSA-N 0 0 300.362 0.931 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000170631852 158374684 /nfs/dbraw/zinc/37/46/84/158374684.db2.gz XJIHKTVGDDWXLJ-UHFFFAOYSA-N 0 0 311.345 0.764 10 0 DCAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCNC(=O)CC1 ZINC000171475217 158383570 /nfs/dbraw/zinc/38/35/70/158383570.db2.gz FXQWCUVWVCZCOM-UHFFFAOYSA-N 0 0 315.373 0.852 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCOC3)n2)cc1 ZINC000171691330 158385208 /nfs/dbraw/zinc/38/52/08/158385208.db2.gz SAAGCQOQSJJHQO-CYBMUJFWSA-N 0 0 301.350 0.944 10 0 DCAERN O=C(CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)N1CCCCC1 ZINC000171752262 158386467 /nfs/dbraw/zinc/38/64/67/158386467.db2.gz GAFGVTUYFAPORJ-ZBFHGGJFSA-N 0 0 317.389 0.956 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171913592 158388674 /nfs/dbraw/zinc/38/86/74/158388674.db2.gz ZTQPXTOBMRCRSH-SECBINFHSA-N 0 0 309.332 0.996 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CS(C)(=O)=O ZINC000172008778 158389405 /nfs/dbraw/zinc/38/94/05/158389405.db2.gz BMIQSLAXZKJUOD-GHMZBOCLSA-N 0 0 304.412 0.183 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCC[C@H]2C(=O)NC)CC1=O ZINC000172005485 158389715 /nfs/dbraw/zinc/38/97/15/158389715.db2.gz FOSOQCXTGORLET-AVGNSLFASA-N 0 0 309.410 0.761 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](C)n1cncn1)CC2 ZINC000172418206 158394141 /nfs/dbraw/zinc/39/41/41/158394141.db2.gz OBKGJPQBWNNBAZ-WDEREUQCSA-N 0 0 303.370 0.685 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354111 158394215 /nfs/dbraw/zinc/39/42/15/158394215.db2.gz OHRKPPYYSWTHMD-GOEBONIOSA-N 0 0 302.374 0.970 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)nc2n1 ZINC000172366181 158394289 /nfs/dbraw/zinc/39/42/89/158394289.db2.gz ZOTOQZBZOOKJNI-FUNVUKJBSA-N 0 0 315.377 0.974 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000172526974 158394665 /nfs/dbraw/zinc/39/46/65/158394665.db2.gz SYUJVBTYNZTXOU-LBPRGKRZSA-N 0 0 313.361 0.941 10 0 DCAERN COC[C@H]1CN(C(=O)c2ccc(CNC(C)=O)s2)CCO1 ZINC000172620663 158396440 /nfs/dbraw/zinc/39/64/40/158396440.db2.gz OBFVNTGXNNYCMC-LLVKDONJSA-N 0 0 312.391 0.872 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2F)C1 ZINC000172651464 158397572 /nfs/dbraw/zinc/39/75/72/158397572.db2.gz ABNDWWRYVHCZPX-VHSXEESVSA-N 0 0 307.325 0.925 10 0 DCAERN CC(C)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173416449 158405727 /nfs/dbraw/zinc/40/57/27/158405727.db2.gz VSZCVQNHXDELLQ-GFCCVEGCSA-N 0 0 315.443 0.564 10 0 DCAERN O=C(CN1CCN(Cc2ccon2)CC1)NCC(F)(F)F ZINC000173934447 158412490 /nfs/dbraw/zinc/41/24/90/158412490.db2.gz HOMBMPYCQOXUFX-UHFFFAOYSA-N 0 0 306.288 0.471 10 0 DCAERN CN1C(=O)N(CC(=O)NCC(F)F)C(=O)C12CCCCC2 ZINC000174568580 158418994 /nfs/dbraw/zinc/41/89/94/158418994.db2.gz WDKWHBCTYVUXRG-UHFFFAOYSA-N 0 0 303.309 0.965 10 0 DCAERN CCc1cc(NC(=O)CN(C)S(=O)(=O)CC)nc(C)n1 ZINC000175900258 158431402 /nfs/dbraw/zinc/43/14/02/158431402.db2.gz SVFKKGAYECILLI-UHFFFAOYSA-N 0 0 300.384 0.567 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000176551757 158438502 /nfs/dbraw/zinc/43/85/02/158438502.db2.gz YRYUUEXSZNKDMY-PEUVFPKISA-N 0 0 312.410 0.984 10 0 DCAERN COCCCOC1CN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000176906737 158442929 /nfs/dbraw/zinc/44/29/29/158442929.db2.gz FDDWUFSWDXNMLD-UHFFFAOYSA-N 0 0 323.374 0.634 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)NC1(CO)CCCC1 ZINC000178094666 158453516 /nfs/dbraw/zinc/45/35/16/158453516.db2.gz UHUBDKIWPYPGSF-UHFFFAOYSA-N 0 0 316.365 0.767 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000178210626 158455124 /nfs/dbraw/zinc/45/51/24/158455124.db2.gz FAKSRQZURXOTTI-UHFFFAOYSA-N 0 0 308.313 0.524 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(C)C ZINC000178721987 158462451 /nfs/dbraw/zinc/46/24/51/158462451.db2.gz NMXCABZQYOFGRQ-WCBMZHEXSA-N 0 0 323.315 0.284 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000179561269 158473574 /nfs/dbraw/zinc/47/35/74/158473574.db2.gz JZAXBEARJGPKBJ-LBPRGKRZSA-N 0 0 316.379 0.427 10 0 DCAERN CCOCCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180400252 158477761 /nfs/dbraw/zinc/47/77/61/158477761.db2.gz VKCFOFWOCLTGTK-UHFFFAOYSA-N 0 0 303.322 0.563 10 0 DCAERN COCc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)no1 ZINC000182449553 158492466 /nfs/dbraw/zinc/49/24/66/158492466.db2.gz RQQKLJHUBCVMRW-LBPRGKRZSA-N 0 0 307.354 0.622 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000183671109 158501285 /nfs/dbraw/zinc/50/12/85/158501285.db2.gz BGJBTZXXVPCLCT-OAHLLOKOSA-N 0 0 302.334 0.994 10 0 DCAERN O=C(Cc1ccccc1)NCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000183828136 158502295 /nfs/dbraw/zinc/50/22/95/158502295.db2.gz YYOFOVDWIRIKSA-QGZVFWFLSA-N 0 0 318.373 0.363 10 0 DCAERN CCN(CC)C(=O)CN1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000185238496 158517514 /nfs/dbraw/zinc/51/75/14/158517514.db2.gz IMGRKPWONFMFQV-UHFFFAOYSA-N 0 0 324.429 0.122 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000186167460 158527758 /nfs/dbraw/zinc/52/77/58/158527758.db2.gz KMXVYPGVLJBGKX-UHFFFAOYSA-N 0 0 300.380 0.695 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000186209344 158528444 /nfs/dbraw/zinc/52/84/44/158528444.db2.gz DKHVNQJTLACWFR-GFCCVEGCSA-N 0 0 322.413 0.166 10 0 DCAERN CCn1nccc1N1CCC[C@H](NC(=O)C[C@@H](C)OC)C1=O ZINC000189908311 158556745 /nfs/dbraw/zinc/55/67/45/158556745.db2.gz PCLPKWCFZZDKNU-NEPJUHHUSA-N 0 0 308.382 0.940 10 0 DCAERN O=C(NC[C@@H](O)Cc1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000190245125 158558976 /nfs/dbraw/zinc/55/89/76/158558976.db2.gz PDDNKGCIDANYIE-LBPRGKRZSA-N 0 0 324.340 0.652 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000191394105 158567928 /nfs/dbraw/zinc/56/79/28/158567928.db2.gz VUBZAUHJGLBYTA-LBPRGKRZSA-N 0 0 324.425 0.555 10 0 DCAERN CCN1CN(CC(=O)NCc2ccc(COC)cc2)CC1=O ZINC000191577977 158569338 /nfs/dbraw/zinc/56/93/38/158569338.db2.gz HFRLGEYRDLUGDD-UHFFFAOYSA-N 0 0 305.378 0.571 10 0 DCAERN COCCN1CCCN(Cc2ccc(C(=O)N(C)C)[nH]2)CC1=O ZINC000191695499 158570312 /nfs/dbraw/zinc/57/03/12/158570312.db2.gz WSLIASGWFFAKMT-UHFFFAOYSA-N 0 0 322.409 0.397 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@](C)(O)CCC(C)C ZINC000193400238 158584245 /nfs/dbraw/zinc/58/42/45/158584245.db2.gz MOYNXHYLPQJLQX-NFAWXSAZSA-N 0 0 300.399 0.272 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195048301 158603393 /nfs/dbraw/zinc/60/33/93/158603393.db2.gz WPYFDTBFXLYTRL-LBPRGKRZSA-N 0 0 319.409 0.676 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)C[C@@H](C)OC)CC2)[nH]1 ZINC000195470464 158612121 /nfs/dbraw/zinc/61/21/21/158612121.db2.gz OXDBAXWETWFDIW-SNVBAGLBSA-N 0 0 316.427 0.911 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000234585964 158630238 /nfs/dbraw/zinc/63/02/38/158630238.db2.gz DITBSWOOVLIHFI-USZNOCQGSA-N 0 0 305.396 0.815 10 0 DCAERN Cc1cccc(C)c1OC[C@@H](O)CN1CCOC[C@H]1C(N)=O ZINC000245689833 158651655 /nfs/dbraw/zinc/65/16/55/158651655.db2.gz AQKLWQUMXMDXAC-KBPBESRZSA-N 0 0 308.378 0.229 10 0 DCAERN CCC[C@H](C)CS(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246997752 158675780 /nfs/dbraw/zinc/67/57/80/158675780.db2.gz GMYRJUXEYVNALQ-WDEREUQCSA-N 0 0 312.457 0.376 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)NCc1ccco1 ZINC000248376890 158689331 /nfs/dbraw/zinc/68/93/31/158689331.db2.gz DYISNRSJEIHXPW-JTQLQIEISA-N 0 0 309.366 0.563 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)C2)[C@H]1Oc1ccccc1 ZINC000251657860 158712849 /nfs/dbraw/zinc/71/28/49/158712849.db2.gz KDWBQQPZHQRQSM-YYWXWVFPSA-N 0 0 318.373 0.864 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000300555954 158978377 /nfs/dbraw/zinc/97/83/77/158978377.db2.gz ZAYANPXVYITQSA-KKOKHZNYSA-N 0 0 305.396 0.815 10 0 DCAERN CN1CC[C@H](C(=O)N2CCN[C@H](c3cccnc3)C2)CC1=O ZINC000328636329 159017048 /nfs/dbraw/zinc/01/70/48/159017048.db2.gz AGEITGREZQRHJA-JSGCOSHPSA-N 0 0 302.378 0.423 10 0 DCAERN O=C(CN1CCN(C2CC2)C(=O)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328658450 159017335 /nfs/dbraw/zinc/01/73/35/159017335.db2.gz RBTCDXPLOUUJFV-GJZGRUSLSA-N 0 0 321.421 0.463 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000328665250 159018723 /nfs/dbraw/zinc/01/87/23/159018723.db2.gz ZASGKTALPMEJMR-KBPBESRZSA-N 0 0 305.353 0.919 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCN[C@H](c2cccnc2)C1 ZINC000328662409 159018918 /nfs/dbraw/zinc/01/89/18/159018918.db2.gz XINHQMOCGUZEGG-ZFWWWQNUSA-N 0 0 305.378 0.608 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@@H]1O ZINC000329021398 159052977 /nfs/dbraw/zinc/05/29/77/159052977.db2.gz MDRJMOAVLZLJNV-UQFNBPPOSA-N 0 0 320.393 0.169 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CCCOC3)CC2)n1 ZINC000329045025 159054665 /nfs/dbraw/zinc/05/46/65/159054665.db2.gz FMFJHTXFOWHKGW-UHFFFAOYSA-N 0 0 306.366 0.908 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329056853 159056875 /nfs/dbraw/zinc/05/68/75/159056875.db2.gz YCYMZZLZUVZUEK-RISCZKNCSA-N 0 0 319.409 0.769 10 0 DCAERN Cc1noc(CN2CCN(C(=O)c3ncncc3Cl)CC2)n1 ZINC000329114993 159063324 /nfs/dbraw/zinc/06/33/24/159063324.db2.gz SNPIDIKGCAXAMQ-UHFFFAOYSA-N 0 0 322.756 0.779 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@](F)(CO)C2)nnn1-c1ccn(C)n1 ZINC000329116556 159064438 /nfs/dbraw/zinc/06/44/38/159064438.db2.gz UCFIVWVWRRQBDB-AWEZNQCLSA-N 0 0 322.344 0.246 10 0 DCAERN O=C([C@H]1COCCN1C1CCCC1)N1CCC[C@](F)(CO)C1 ZINC000329198095 159072330 /nfs/dbraw/zinc/07/23/30/159072330.db2.gz AGYBUGVYYYZSHS-GDBMZVCRSA-N 0 0 314.401 0.953 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)O1 ZINC000329248105 159076723 /nfs/dbraw/zinc/07/67/23/159076723.db2.gz SHLDDFINNSXBCC-SYQHCUMBSA-N 0 0 310.394 0.792 10 0 DCAERN CN(C(=O)c1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CCOC1 ZINC000329282315 159079407 /nfs/dbraw/zinc/07/94/07/159079407.db2.gz KVKWSRBIYSWYFM-ZDUSSCGKSA-N 0 0 317.345 0.804 10 0 DCAERN Cc1cnc(CN2CC(S(=O)(=O)NC3CCCC3)C2)cn1 ZINC000329298140 159079981 /nfs/dbraw/zinc/07/99/81/159079981.db2.gz LHMPHNCWNJZEOD-UHFFFAOYSA-N 0 0 310.423 0.831 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N(C)Cc1nc([C@H](C)OC)no1 ZINC000329350532 159084925 /nfs/dbraw/zinc/08/49/25/159084925.db2.gz DHCPMFAJNSIMIM-WDEREUQCSA-N 0 0 312.370 0.456 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)CCSc2nnnn2C)no1 ZINC000329368432 159086068 /nfs/dbraw/zinc/08/60/68/159086068.db2.gz JEABXYVLHXYITH-VIFPVBQESA-N 0 0 323.382 0.747 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000329391003 159088263 /nfs/dbraw/zinc/08/82/63/159088263.db2.gz VEBVIHNYJMWMMM-GFCCVEGCSA-N 0 0 314.411 0.379 10 0 DCAERN C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000329404267 159089947 /nfs/dbraw/zinc/08/99/47/159089947.db2.gz CHKFYSLTIGJWHP-VXGBXAGGSA-N 0 0 305.396 0.218 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H](C(C)C)C2)nn1 ZINC000329406479 159089968 /nfs/dbraw/zinc/08/99/68/159089968.db2.gz CBZWFDJBIORPMS-HZSPNIEDSA-N 0 0 324.381 0.361 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@@H](C)S1(=O)=O ZINC000329432780 159092783 /nfs/dbraw/zinc/09/27/83/159092783.db2.gz IEYVABOSKPKJNU-RKDXNWHRSA-N 0 0 323.378 0.391 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)CN(C)C2=O)C[C@@]12CCCO2 ZINC000329451467 159094419 /nfs/dbraw/zinc/09/44/19/159094419.db2.gz MBXYIVGDCLUBRU-ZFWWWQNUSA-N 0 0 309.366 0.296 10 0 DCAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)[C@H]1CCOC1 ZINC000329505115 159098169 /nfs/dbraw/zinc/09/81/69/159098169.db2.gz ILWRRVODPSKFGC-NUEKZKHPSA-N 0 0 318.373 0.832 10 0 DCAERN CC[N@@H+]1CCC[C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000329518067 159098518 /nfs/dbraw/zinc/09/85/18/159098518.db2.gz PNYLPOQNPLIXRF-HZSPNIEDSA-N 0 0 319.471 0.662 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)O1 ZINC000329532869 159099633 /nfs/dbraw/zinc/09/96/33/159099633.db2.gz KCHBCVYOXNCIBV-MCIONIFRSA-N 0 0 320.393 0.510 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1CCc1nnnn1-c1ccccc1 ZINC000329536845 159100753 /nfs/dbraw/zinc/10/07/53/159100753.db2.gz UPSXCLUXGFKHLP-GFCCVEGCSA-N 0 0 321.406 0.324 10 0 DCAERN CC1CCN(C(=O)c2nc([C@@H]3CN4CCN3CC4)no2)CC1 ZINC000329576776 159104103 /nfs/dbraw/zinc/10/41/03/159104103.db2.gz KCVBFKSVLJCXMG-LBPRGKRZSA-N 0 0 305.382 0.614 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@@]34CCOC4)CCO2)n1 ZINC000329623105 159107103 /nfs/dbraw/zinc/10/71/03/159107103.db2.gz HLLGLJGUZPMYKX-SQWLQELKSA-N 0 0 320.393 0.549 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC000329638817 159108315 /nfs/dbraw/zinc/10/83/15/159108315.db2.gz WGKJDNOOSFOTRG-GMTAPVOTSA-N 0 0 305.382 0.772 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329646438 159108926 /nfs/dbraw/zinc/10/89/26/159108926.db2.gz BATNPESVGFQGRC-KGLIPLIRSA-N 0 0 308.382 0.570 10 0 DCAERN C[C@@]12CCCN1C[C@@H](c1noc(CN3CCOCC3=O)n1)OC2 ZINC000329653057 159109067 /nfs/dbraw/zinc/10/90/67/159109067.db2.gz DPBUIAVGAASLQS-NHYWBVRUSA-N 0 0 322.365 0.354 10 0 DCAERN O=C(CS(=O)(=O)CC1CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329654936 159109117 /nfs/dbraw/zinc/10/91/17/159109117.db2.gz LXEJQIVAZVUTRS-CHWSQXEVSA-N 0 0 301.408 0.981 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cn(C)cn1)CC2 ZINC000329646032 159109179 /nfs/dbraw/zinc/10/91/79/159109179.db2.gz AXJCGUFCSGSCIP-SNVBAGLBSA-N 0 0 324.410 0.428 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659521 159110047 /nfs/dbraw/zinc/11/00/47/159110047.db2.gz OCHBWIMLLMEKLW-RDBSUJKOSA-N 0 0 314.451 0.896 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CN1C(=O)[C@H]2CCCN2C1=O ZINC000329703529 159112640 /nfs/dbraw/zinc/11/26/40/159112640.db2.gz IJBASLGBXJTIFF-CYZMBNFOSA-N 0 0 304.350 0.924 10 0 DCAERN Cn1nnnc1-c1cccc(S(=O)(=O)NCC2(C)COC2)c1 ZINC000329734452 159115678 /nfs/dbraw/zinc/11/56/78/159115678.db2.gz KIRXQKLDOHTXFN-UHFFFAOYSA-N 0 0 323.378 0.192 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000329753417 159117089 /nfs/dbraw/zinc/11/70/89/159117089.db2.gz WUJIDKYQHSBDEP-GJZGRUSLSA-N 0 0 323.437 0.711 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)nc2n1 ZINC000329758029 159117200 /nfs/dbraw/zinc/11/72/00/159117200.db2.gz NIQCRBLQKQHAIC-RWMBFGLXSA-N 0 0 315.377 0.513 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCO1 ZINC000329982834 159133866 /nfs/dbraw/zinc/13/38/66/159133866.db2.gz ASHVRICYGAPSEM-QMMMGPOBSA-N 0 0 303.340 0.122 10 0 DCAERN O=C(CNC(=O)c1ccc2c(c1)CCC2)N1CC(O)(C2CC2)C1 ZINC000330014587 159135617 /nfs/dbraw/zinc/13/56/17/159135617.db2.gz AZXCYTYIWDLZFI-UHFFFAOYSA-N 0 0 314.385 0.888 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)c2cn([C@H]3CCOC3)nn2)cn1 ZINC000330034036 159136723 /nfs/dbraw/zinc/13/67/23/159136723.db2.gz ASEGOVYDAVIIER-GXTWGEPZSA-N 0 0 316.365 0.950 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000330036697 159136730 /nfs/dbraw/zinc/13/67/30/159136730.db2.gz YLNCFLDDHSROKZ-LLVKDONJSA-N 0 0 322.390 0.378 10 0 DCAERN O=C(CN1CC(S(=O)(=O)NC2CCCC2)C1)N1CCCC1 ZINC000330054377 159138936 /nfs/dbraw/zinc/13/89/36/159138936.db2.gz RXABKJPXVCKSEY-UHFFFAOYSA-N 0 0 315.439 0.155 10 0 DCAERN C[C@@H](C(=O)N(C)[C@H]1CCOC1)[C@H](C)C(=O)N(C)[C@@H]1CCOC1 ZINC000330056347 159138957 /nfs/dbraw/zinc/13/89/57/159138957.db2.gz VSNAIMOFTMLJQB-LVEBTZEWSA-N 0 0 312.410 0.753 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)[C@H](C)C(=O)N(C)[C@H]1CCOC1 ZINC000330056348 159139048 /nfs/dbraw/zinc/13/90/48/159139048.db2.gz VSNAIMOFTMLJQB-XDQVBPFNSA-N 0 0 312.410 0.753 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](C3CC3)C2)C1=O ZINC000330121936 159143410 /nfs/dbraw/zinc/14/34/10/159143410.db2.gz HDTXFFLOFSAGLX-BLLLJJGKSA-N 0 0 321.377 0.549 10 0 DCAERN CO[C@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)C[C@@H]1OC ZINC000330177550 159148306 /nfs/dbraw/zinc/14/83/06/159148306.db2.gz KVYXPWQCRGBQJI-HOTGVXAUSA-N 0 0 317.389 0.969 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@H]1CCCO1 ZINC000330198030 159149995 /nfs/dbraw/zinc/14/99/95/159149995.db2.gz SQAYTWZNAMMKTE-ZIAGYGMSSA-N 0 0 318.439 0.876 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000330263805 159155493 /nfs/dbraw/zinc/15/54/93/159155493.db2.gz XAKVCQJAFOBPRC-QMMMGPOBSA-N 0 0 316.291 0.733 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000330511996 159184269 /nfs/dbraw/zinc/18/42/69/159184269.db2.gz JZTZACNEVKZYST-NSHDSACASA-N 0 0 304.412 0.661 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 ZINC000330580851 159196452 /nfs/dbraw/zinc/19/64/52/159196452.db2.gz UAKOANSCBJTNON-QWRGUYRKSA-N 0 0 316.354 0.140 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](n2cccn2)C1 ZINC000332724533 159210476 /nfs/dbraw/zinc/21/04/76/159210476.db2.gz OXWJATPBFREZIY-AAEUAGOBSA-N 0 0 305.382 0.897 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000332700758 159211140 /nfs/dbraw/zinc/21/11/40/159211140.db2.gz SGNKPQNJVNGEJN-GRYCIOLGSA-N 0 0 302.396 0.382 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000332797620 159213271 /nfs/dbraw/zinc/21/32/71/159213271.db2.gz MIZKNPUOBNSKGN-STQMWFEESA-N 0 0 307.394 0.562 10 0 DCAERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C(=O)N1CCCC[C@H]1C ZINC000332846484 159215169 /nfs/dbraw/zinc/21/51/69/159215169.db2.gz HLLTYNMZZNLKJM-GZBLMMOJSA-N 0 0 324.421 0.944 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCCNC1=O)CC2 ZINC000332859101 159215435 /nfs/dbraw/zinc/21/54/35/159215435.db2.gz KYLJQMJLFXWCBO-QWRGUYRKSA-N 0 0 320.397 0.294 10 0 DCAERN CN1C[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)Cc2ccccc21 ZINC000332950317 159218107 /nfs/dbraw/zinc/21/81/07/159218107.db2.gz WGIUURSKKXIYSP-TZMCWYRMSA-N 0 0 301.390 0.938 10 0 DCAERN NS(=O)(=O)c1cnn(CCC(=O)N2CCCC23CCC3)c1 ZINC000366801250 159288479 /nfs/dbraw/zinc/28/84/79/159288479.db2.gz WOBCCJYAVULTQU-UHFFFAOYSA-N 0 0 312.395 0.466 10 0 DCAERN CC(C)CN(C(=O)CN1CC[C@H]2OCC(=O)N[C@H]2C1)C1CC1 ZINC000366813759 159289281 /nfs/dbraw/zinc/28/92/81/159289281.db2.gz VNKJGLCFBJGYHK-UONOGXRCSA-N 0 0 309.410 0.223 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N1CCCOCC1 ZINC000366940569 159298861 /nfs/dbraw/zinc/29/88/61/159298861.db2.gz JHOJKQRZZRADCR-UHFFFAOYSA-N 0 0 317.345 0.611 10 0 DCAERN CN(C)c1ncnc(Cl)c1CN1CCN2CCOC[C@@H]2C1 ZINC000366978414 159301746 /nfs/dbraw/zinc/30/17/46/159301746.db2.gz YQJORJCRTZVNOT-NSHDSACASA-N 0 0 311.817 0.712 10 0 DCAERN CC(=O)CSCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367120730 159314506 /nfs/dbraw/zinc/31/45/06/159314506.db2.gz HWJSHSQXSACSJO-GXTWGEPZSA-N 0 0 315.435 0.993 10 0 DCAERN CN(C)S(=O)(=O)CCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367222550 159322943 /nfs/dbraw/zinc/32/29/43/159322943.db2.gz CVHMURBUKXXQFO-NSHDSACASA-N 0 0 314.411 0.628 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC000367741844 159354640 /nfs/dbraw/zinc/35/46/40/159354640.db2.gz VTYGLPVVMAZHCE-LBPRGKRZSA-N 0 0 301.350 0.972 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)OC[C@H]1CCCO1 ZINC000367789379 159356167 /nfs/dbraw/zinc/35/61/67/159356167.db2.gz BVFBJXOOIBZESY-CHWSQXEVSA-N 0 0 312.366 0.672 10 0 DCAERN O=C(NC1Cc2ccccc2C1)N1CCN2CCOC[C@H]2C1 ZINC000368122710 159376133 /nfs/dbraw/zinc/37/61/33/159376133.db2.gz WBMZSFHIRJEBHI-MRXNPFEDSA-N 0 0 301.390 0.880 10 0 DCAERN COCCC1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCC1 ZINC000368293211 159385748 /nfs/dbraw/zinc/38/57/48/159385748.db2.gz GXBUKUIHRIWHBA-AWEZNQCLSA-N 0 0 311.426 0.919 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368481504 159397141 /nfs/dbraw/zinc/39/71/41/159397141.db2.gz HICHRBNNNVODMP-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000370455450 159520660 /nfs/dbraw/zinc/52/06/60/159520660.db2.gz QRWAGNIWFBTVDR-RULNRJAQSA-N 0 0 309.366 0.127 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC[C@@H]1O ZINC000373546154 159686387 /nfs/dbraw/zinc/68/63/87/159686387.db2.gz XOVTVENUBFAVQY-WXHSDQCUSA-N 0 0 312.435 0.917 10 0 DCAERN CC1(C)CN(C(=O)CN2CCCCC2=O)C[C@]2(CCOC2)O1 ZINC000373692596 159693424 /nfs/dbraw/zinc/69/34/24/159693424.db2.gz GIYSYDSXINFKPO-INIZCTEOSA-N 0 0 310.394 0.795 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2sc(=S)[nH]c2C)C1 ZINC000375516879 159798629 /nfs/dbraw/zinc/79/86/29/159798629.db2.gz JIWPDSGRNRMAIZ-DTWKUNHWSA-N 0 0 302.421 0.891 10 0 DCAERN CN1C[C@@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375603221 159804171 /nfs/dbraw/zinc/80/41/71/159804171.db2.gz OFSFZAICGDFQNZ-MNOVXSKESA-N 0 0 304.350 0.741 10 0 DCAERN O=C(CN1CSCC1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375781618 159817315 /nfs/dbraw/zinc/81/73/15/159817315.db2.gz YVTSRDYOJMBGJD-UHFFFAOYSA-N 0 0 310.350 0.388 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CC(n2cc(C(C)(C)O)nn2)C1 ZINC000376972425 159887390 /nfs/dbraw/zinc/88/73/90/159887390.db2.gz CKYWLGBJKAMKJL-TZMCWYRMSA-N 0 0 322.409 0.950 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cc(OC)c(OC)cc2C)CCO1 ZINC000378627153 159993803 /nfs/dbraw/zinc/99/38/03/159993803.db2.gz VBSABHJVKICXPB-CQSZACIVSA-N 0 0 322.361 0.599 10 0 DCAERN O=C1CN(S(=O)(=O)N2CCCCCC2)CCN1C1CC1 ZINC000407953208 159995459 /nfs/dbraw/zinc/99/54/59/159995459.db2.gz BHVBRISYBKUYLY-UHFFFAOYSA-N 0 0 301.412 0.414 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000407964948 159998715 /nfs/dbraw/zinc/99/87/15/159998715.db2.gz KQIHYWSHWSXMCS-SECBINFHSA-N 0 0 314.329 0.126 10 0 DCAERN C[C@H]1CN(C(=O)NCc2nnc3ccccn32)CC(=O)N1C ZINC000407970737 159999891 /nfs/dbraw/zinc/99/98/91/159999891.db2.gz MEAJJHMZWYSHBV-JTQLQIEISA-N 0 0 302.338 0.101 10 0 DCAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC(=O)N1C ZINC000407971944 160000157 /nfs/dbraw/zinc/00/01/57/160000157.db2.gz RLKVABSGTRPGMK-JTQLQIEISA-N 0 0 301.346 0.413 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC000407980312 160001313 /nfs/dbraw/zinc/00/13/13/160001313.db2.gz HQDIMUBBXDUBFH-JTQLQIEISA-N 0 0 315.399 0.058 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407987186 160003954 /nfs/dbraw/zinc/00/39/54/160003954.db2.gz WXQZOPQGOQQPER-ARNPGYACSA-N 0 0 301.412 0.254 10 0 DCAERN CC(=O)NCC1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000407988851 160004433 /nfs/dbraw/zinc/00/44/33/160004433.db2.gz GUGIQILBIDWACV-CYBMUJFWSA-N 0 0 313.423 0.283 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000407990833 160004482 /nfs/dbraw/zinc/00/44/82/160004482.db2.gz MQUUNARHMLATQD-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000407993390 160004978 /nfs/dbraw/zinc/00/49/78/160004978.db2.gz XYFTTWPSWAZPCQ-LRDDRELGSA-N 0 0 307.394 0.374 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000407993392 160005491 /nfs/dbraw/zinc/00/54/91/160005491.db2.gz XYFTTWPSWAZPCQ-MLGOLLRUSA-N 0 0 307.394 0.374 10 0 DCAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@H](CCO)C1 ZINC000408007668 160009604 /nfs/dbraw/zinc/00/96/04/160009604.db2.gz BIERNZZGTHPPEV-BBBLOLIVSA-N 0 0 308.300 0.674 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](CCO)C2)C1 ZINC000408011456 160010726 /nfs/dbraw/zinc/01/07/26/160010726.db2.gz RFKUGYUFFXZGPI-QWHCGFSZSA-N 0 0 318.439 0.279 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC(C)(C)O1 ZINC000408025925 160014789 /nfs/dbraw/zinc/01/47/89/160014789.db2.gz FEAVWTXZQYFOSN-RYUDHWBXSA-N 0 0 307.412 0.479 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408029735 160015496 /nfs/dbraw/zinc/01/54/96/160015496.db2.gz YJBBZALHKXHRAM-LLVKDONJSA-N 0 0 317.415 0.253 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408028864 160015562 /nfs/dbraw/zinc/01/55/62/160015562.db2.gz GGBOQORXTGVCSX-NAKRPEOUSA-N 0 0 309.359 0.063 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000408030508 160016344 /nfs/dbraw/zinc/01/63/44/160016344.db2.gz ZOUVJQBKUOZWIJ-CMPLNLGQSA-N 0 0 319.427 0.277 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)o1 ZINC000408030258 160016394 /nfs/dbraw/zinc/01/63/94/160016394.db2.gz YHWLRJZDTRUCDL-RYUDHWBXSA-N 0 0 300.380 0.682 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CO1 ZINC000408033752 160017300 /nfs/dbraw/zinc/01/73/00/160017300.db2.gz BMLYXAHHKRODTE-UPJWGTAASA-N 0 0 320.393 0.290 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC000408037739 160019270 /nfs/dbraw/zinc/01/92/70/160019270.db2.gz DPVWBPAXLZZNPM-RDBSUJKOSA-N 0 0 311.426 0.517 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042738 160020361 /nfs/dbraw/zinc/02/03/61/160020361.db2.gz MNGDQEUQFPFCEV-BDAKNGLRSA-N 0 0 308.304 0.105 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C[C@H](O)C(F)(F)F)N1CCOCC1 ZINC000408045602 160021188 /nfs/dbraw/zinc/02/11/88/160021188.db2.gz RSNGNLBUCHWJNG-UTLUCORTSA-N 0 0 314.279 0.181 10 0 DCAERN Cc1ccoc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051441 160023333 /nfs/dbraw/zinc/02/33/33/160023333.db2.gz HRNYASAFTWKXJP-NEPJUHHUSA-N 0 0 310.325 0.999 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)no1 ZINC000408049771 160023662 /nfs/dbraw/zinc/02/36/62/160023662.db2.gz ADFIZWNTSMDKOP-PWSUYJOCSA-N 0 0 311.313 0.394 10 0 DCAERN CN(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cn1 ZINC000408051172 160023917 /nfs/dbraw/zinc/02/39/17/160023917.db2.gz ISIXPWDEWLAWND-NEPJUHHUSA-N 0 0 303.366 0.386 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCc2nc(C)c(C)s2)C1 ZINC000408055551 160024983 /nfs/dbraw/zinc/02/49/83/160024983.db2.gz YIZKRMATXMCEIS-CQSZACIVSA-N 0 0 311.407 0.750 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000408071706 160029551 /nfs/dbraw/zinc/02/95/51/160029551.db2.gz DKOFMGKOCXBKDQ-CHWSQXEVSA-N 0 0 323.393 0.592 10 0 DCAERN O=S(=O)(NC1CCN(c2ccccn2)CC1)N1CCCC1 ZINC000408079990 160031716 /nfs/dbraw/zinc/03/17/16/160031716.db2.gz JEAKVSHREVPLOB-UHFFFAOYSA-N 0 0 310.423 0.981 10 0 DCAERN C[C@H]1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc32)C[C@@H]1O ZINC000408092596 160034391 /nfs/dbraw/zinc/03/43/91/160034391.db2.gz LJIUNMCREFIWLE-NHYWBVRUSA-N 0 0 315.373 0.705 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@H]1O ZINC000408091637 160034622 /nfs/dbraw/zinc/03/46/22/160034622.db2.gz VTLPCNHEYZHWOR-IINYFYTJSA-N 0 0 322.386 0.920 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCOC3(CCC3)C2)cn1 ZINC000408095006 160035243 /nfs/dbraw/zinc/03/52/43/160035243.db2.gz WNKCOZHSJDCGHD-UHFFFAOYSA-N 0 0 307.354 0.416 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000408103459 160036599 /nfs/dbraw/zinc/03/65/99/160036599.db2.gz AXMJFBFIQXYPMZ-MNOVXSKESA-N 0 0 318.464 0.525 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC([C@H](C)O)CC1 ZINC000408116506 160039538 /nfs/dbraw/zinc/03/95/38/160039538.db2.gz XIVZAKQJOIYDKC-QMMMGPOBSA-N 0 0 316.379 0.468 10 0 DCAERN CN1CN(S(=O)(=O)c2ccc(Br)cc2)CC1=O ZINC000408137386 160044770 /nfs/dbraw/zinc/04/47/70/160044770.db2.gz JDVXNUGJLVUEMK-UHFFFAOYSA-N 0 0 319.180 0.869 10 0 DCAERN C[C@H](C[N-]S(=O)(=O)CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000408141302 160046183 /nfs/dbraw/zinc/04/61/83/160046183.db2.gz UFDFNLBAWDCEAU-SECBINFHSA-N 0 0 303.350 0.104 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCCN(C(C)=O)CC1 ZINC000408146394 160047602 /nfs/dbraw/zinc/04/76/02/160047602.db2.gz ZSOVQVPENDFMKJ-UHFFFAOYSA-N 0 0 317.455 0.907 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)CC1 ZINC000408144543 160047786 /nfs/dbraw/zinc/04/77/86/160047786.db2.gz AOELJKHIALPAMC-UHFFFAOYSA-N 0 0 317.455 0.763 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408150747 160048391 /nfs/dbraw/zinc/04/83/91/160048391.db2.gz RPKVVTYADUUPQI-CMPLNLGQSA-N 0 0 313.423 0.077 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000408150934 160048641 /nfs/dbraw/zinc/04/86/41/160048641.db2.gz YOBMWXXHKKAUHA-UHFFFAOYSA-N 0 0 317.393 0.384 10 0 DCAERN Cc1nc([C@H]2CCCCCN2C(=O)CS(C)(=O)=O)no1 ZINC000408154895 160049158 /nfs/dbraw/zinc/04/91/58/160049158.db2.gz RMWPZRYUWONNPF-SNVBAGLBSA-N 0 0 301.368 0.866 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CCC1=O ZINC000408161100 160050429 /nfs/dbraw/zinc/05/04/29/160050429.db2.gz XUZCINKSGBPUES-GFCCVEGCSA-N 0 0 303.362 0.969 10 0 DCAERN CCNC(=O)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408168016 160051791 /nfs/dbraw/zinc/05/17/91/160051791.db2.gz ZQNQEQAEJHRFOE-WCQYABFASA-N 0 0 307.394 0.515 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cs1 ZINC000408170764 160052120 /nfs/dbraw/zinc/05/21/20/160052120.db2.gz XUIVYQBTXIHIRV-NXEZZACHSA-N 0 0 319.452 0.938 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)[C@H](C)O)C1 ZINC000408172878 160052843 /nfs/dbraw/zinc/05/28/43/160052843.db2.gz BLPRCUNCIIQILC-WDEREUQCSA-N 0 0 306.428 0.324 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408172006 160052725 /nfs/dbraw/zinc/05/27/25/160052725.db2.gz QNFVYOQABCKHEP-GHMZBOCLSA-N 0 0 321.443 0.117 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408182012 160054231 /nfs/dbraw/zinc/05/42/31/160054231.db2.gz HQEQIIFJOHIKTP-FBWDIHGXSA-N 0 0 301.412 0.065 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408182013 160054270 /nfs/dbraw/zinc/05/42/70/160054270.db2.gz HQEQIIFJOHIKTP-LITPITGPSA-N 0 0 301.412 0.065 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000408183267 160054287 /nfs/dbraw/zinc/05/42/87/160054287.db2.gz PIHUKHBPBRWWLN-NEPJUHHUSA-N 0 0 314.411 0.211 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408189114 160056216 /nfs/dbraw/zinc/05/62/16/160056216.db2.gz VVRZLQHYYBMIIL-IRCOFANPSA-N 0 0 318.439 0.180 10 0 DCAERN COC(=O)[C@@]1(NC(=O)[C@@H]2CCCCS2(=O)=O)CCSC1 ZINC000408194373 160056550 /nfs/dbraw/zinc/05/65/50/160056550.db2.gz WNUJFCNOAWPMCU-JOYOIKCWSA-N 0 0 321.420 0.119 10 0 DCAERN COCC1(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000408192649 160056654 /nfs/dbraw/zinc/05/66/54/160056654.db2.gz NMZPJJCDRURNBI-JTQLQIEISA-N 0 0 300.384 0.520 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@H]2CCCCS2(=O)=O)CCSC1 ZINC000408194374 160056960 /nfs/dbraw/zinc/05/69/60/160056960.db2.gz WNUJFCNOAWPMCU-SKDRFNHKSA-N 0 0 321.420 0.119 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000408193217 160057011 /nfs/dbraw/zinc/05/70/11/160057011.db2.gz QXCLVTWVAJDHID-JTQLQIEISA-N 0 0 304.412 0.327 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)CC(=O)N1 ZINC000408197049 160057279 /nfs/dbraw/zinc/05/72/79/160057279.db2.gz FQUFNIGVYWTPGE-QWHCGFSZSA-N 0 0 317.389 0.956 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 ZINC000408196397 160057532 /nfs/dbraw/zinc/05/75/32/160057532.db2.gz BYQKNOBMFBTBAQ-NSHDSACASA-N 0 0 312.395 0.247 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)CC(=O)N1 ZINC000408200465 160058642 /nfs/dbraw/zinc/05/86/42/160058642.db2.gz CDIOZIPSOJCVSX-YPMHNXCESA-N 0 0 321.421 0.761 10 0 DCAERN C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)CCS1(=O)=O ZINC000408198886 160058702 /nfs/dbraw/zinc/05/87/02/160058702.db2.gz WRSQGKSQHAWVSD-SNVBAGLBSA-N 0 0 304.412 0.184 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cn1 ZINC000408206475 160060005 /nfs/dbraw/zinc/06/00/05/160060005.db2.gz OKPWXNBMXZQJOX-GHMZBOCLSA-N 0 0 308.386 0.185 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CC[S@]1=O ZINC000408211100 160060886 /nfs/dbraw/zinc/06/08/86/160060886.db2.gz MSALJGGJNOWSHG-RKFFSXRUSA-N 0 0 321.402 0.425 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC000408219440 160062492 /nfs/dbraw/zinc/06/24/92/160062492.db2.gz NCGKMOBOARLOKB-GHMZBOCLSA-N 0 0 313.441 0.250 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c(F)c1 ZINC000408229176 160063926 /nfs/dbraw/zinc/06/39/26/160063926.db2.gz NUTCLMLCHANLQS-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN Cc1cnc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c1 ZINC000408225641 160064086 /nfs/dbraw/zinc/06/40/86/160064086.db2.gz VTQBUBVJKQKSGF-JTQLQIEISA-N 0 0 313.379 0.202 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000408230143 160064466 /nfs/dbraw/zinc/06/44/66/160064466.db2.gz CNFOYLOTDYJJEY-JTQLQIEISA-N 0 0 310.375 0.305 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000408231389 160064912 /nfs/dbraw/zinc/06/49/12/160064912.db2.gz HQWFASWORYMKGG-CYBMUJFWSA-N 0 0 302.440 0.944 10 0 DCAERN COc1c(CNC(=O)N2CCCN(C(C)=O)CC2)c(C)nn1C ZINC000408233643 160065384 /nfs/dbraw/zinc/06/53/84/160065384.db2.gz ATURDTITFYQAOC-UHFFFAOYSA-N 0 0 323.397 0.501 10 0 DCAERN Cc1cc(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n2ncnc2n1 ZINC000408240692 160066706 /nfs/dbraw/zinc/06/67/06/160066706.db2.gz FHWCFJZFZQCQNK-GHMZBOCLSA-N 0 0 324.410 0.705 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cnns1 ZINC000408240440 160067015 /nfs/dbraw/zinc/06/70/15/160067015.db2.gz CVJGPDLKJWOWPK-SFYZADRCSA-N 0 0 304.397 0.128 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c1C ZINC000408239465 160067210 /nfs/dbraw/zinc/06/72/10/160067210.db2.gz YYNDZPRJORUABN-LLVKDONJSA-N 0 0 314.411 0.419 10 0 DCAERN C[C@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)CCS1(=O)=O ZINC000408243699 160067633 /nfs/dbraw/zinc/06/76/33/160067633.db2.gz JVCSFQWOPQVWNH-APBUJDDRSA-N 0 0 322.452 0.116 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)s1 ZINC000408246503 160068696 /nfs/dbraw/zinc/06/86/96/160068696.db2.gz JYNKHOCHOFICCF-AWEZNQCLSA-N 0 0 307.375 0.589 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000408254301 160069804 /nfs/dbraw/zinc/06/98/04/160069804.db2.gz COKFQOYNHHGLBY-AVGNSLFASA-N 0 0 318.439 0.876 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 ZINC000408249992 160070105 /nfs/dbraw/zinc/07/01/05/160070105.db2.gz GGRKSAPUJYZSMV-GFCCVEGCSA-N 0 0 315.377 0.740 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000408258144 160070455 /nfs/dbraw/zinc/07/04/55/160070455.db2.gz VEJSPTJTZBLZGN-REWJHTLYSA-N 0 0 310.442 0.931 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000408257734 160070464 /nfs/dbraw/zinc/07/04/64/160070464.db2.gz VODRHVIHGYIACD-UHTWSYAYSA-N 0 0 322.409 0.483 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257030 160070477 /nfs/dbraw/zinc/07/04/77/160070477.db2.gz NZSFUAYCAYHNQT-NXEZZACHSA-N 0 0 322.331 0.543 10 0 DCAERN C[C@@]1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCS1 ZINC000408263277 160072291 /nfs/dbraw/zinc/07/22/91/160072291.db2.gz UKXRSLYYTROTGO-PWSUYJOCSA-N 0 0 321.468 0.605 10 0 DCAERN CCC1CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)CC1 ZINC000408270581 160072630 /nfs/dbraw/zinc/07/26/30/160072630.db2.gz WQXCGXUWGHJNPR-QWHCGFSZSA-N 0 0 318.439 0.684 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000408270518 160072805 /nfs/dbraw/zinc/07/28/05/160072805.db2.gz QZBYZIZDZBWFJI-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N2C[C@@H](O)C(C)(C)C2)CC1 ZINC000408267048 160072995 /nfs/dbraw/zinc/07/29/95/160072995.db2.gz WMLNUNRXINYRJY-CQSZACIVSA-N 0 0 320.437 0.861 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1C ZINC000408279325 160075286 /nfs/dbraw/zinc/07/52/86/160075286.db2.gz ZANINKHPRWXKSB-KBVBSXBZSA-N 0 0 309.370 0.074 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C1 ZINC000408281469 160075638 /nfs/dbraw/zinc/07/56/38/160075638.db2.gz OVXOZLIFRLMFLR-RYUDHWBXSA-N 0 0 311.382 0.590 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000408282643 160075858 /nfs/dbraw/zinc/07/58/58/160075858.db2.gz ZGVWHKOOUUHLDP-RDBSUJKOSA-N 0 0 311.426 0.158 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C(C)(C)C1 ZINC000408283174 160076311 /nfs/dbraw/zinc/07/63/11/160076311.db2.gz GWMQCMPQIKBSKN-SNVBAGLBSA-N 0 0 303.366 0.777 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CC[C@H](OC)C2)CC1 ZINC000408286683 160076985 /nfs/dbraw/zinc/07/69/85/160076985.db2.gz MZIBBCAECXMGKF-NEPJUHHUSA-N 0 0 320.411 0.273 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000408292315 160077352 /nfs/dbraw/zinc/07/73/52/160077352.db2.gz RXSVMGSCAWXOMX-CYBMUJFWSA-N 0 0 322.386 0.500 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292937 160077746 /nfs/dbraw/zinc/07/77/46/160077746.db2.gz FFPSYZVQQGFQPI-OLZOCXBDSA-N 0 0 304.350 0.332 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](O)C[C@H]2C)c1 ZINC000408291970 160077837 /nfs/dbraw/zinc/07/78/37/160077837.db2.gz AXQCNQCFXZVPQI-ZJUUUORDSA-N 0 0 315.395 0.297 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000408293067 160078362 /nfs/dbraw/zinc/07/83/62/160078362.db2.gz WMBTVZNCCQVHEG-QWHCGFSZSA-N 0 0 317.455 0.952 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H]3CCSC3)C2)n[nH]1 ZINC000408305371 160080520 /nfs/dbraw/zinc/08/05/20/160080520.db2.gz JJCFXUNHWKEGRY-NXEZZACHSA-N 0 0 308.407 0.968 10 0 DCAERN C[C@H](CCNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)[S@](C)=O ZINC000408305314 160081051 /nfs/dbraw/zinc/08/10/51/160081051.db2.gz IYOUKMYSVFFYRO-NYPKLNFPSA-N 0 0 308.469 0.694 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cc(C(N)=O)co2)C[C@@]2(CCOC2)O1 ZINC000408306458 160081277 /nfs/dbraw/zinc/08/12/77/160081277.db2.gz QERYIYLACXYLBH-ZUZCIYMTSA-N 0 0 323.349 0.468 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000408306392 160081687 /nfs/dbraw/zinc/08/16/87/160081687.db2.gz CWIMFSHDVKNSNC-LLVKDONJSA-N 0 0 317.455 0.856 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCSC3)CCO2)n1 ZINC000408307828 160081700 /nfs/dbraw/zinc/08/17/00/160081700.db2.gz UBULMZMLOSDXQC-OLZOCXBDSA-N 0 0 310.423 0.875 10 0 DCAERN C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408325678 160085480 /nfs/dbraw/zinc/08/54/80/160085480.db2.gz CPCRCCIEOLLADL-IINYFYTJSA-N 0 0 308.407 0.836 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)c(C)o1 ZINC000408325151 160085607 /nfs/dbraw/zinc/08/56/07/160085607.db2.gz WUOGICSKGQFNPR-UHFFFAOYSA-N 0 0 323.374 0.737 10 0 DCAERN CC1(C)CN(C(=O)CNC(=O)c2ccco2)C[C@]2(CCOC2)O1 ZINC000408328785 160086045 /nfs/dbraw/zinc/08/60/45/160086045.db2.gz XLXWCIJIRBBZPG-INIZCTEOSA-N 0 0 322.361 0.806 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)Nc2nc3cccnc3[nH]2)CC1 ZINC000408330583 160086325 /nfs/dbraw/zinc/08/63/25/160086325.db2.gz SGTLUTYQOULYLQ-UHFFFAOYSA-N 0 0 323.378 0.568 10 0 DCAERN CO[C@@]1(C)CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000408334522 160087096 /nfs/dbraw/zinc/08/70/96/160087096.db2.gz OWFJJDRUUVVDRB-NSHDSACASA-N 0 0 313.441 0.252 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408340127 160088262 /nfs/dbraw/zinc/08/82/62/160088262.db2.gz NBTGALNLCOELEO-MANBZWLTSA-N 0 0 304.437 0.276 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)C[C@H](C)O1 ZINC000408345871 160088958 /nfs/dbraw/zinc/08/89/58/160088958.db2.gz NOJXQYHIMWMXNK-MBNYWOFBSA-N 0 0 310.394 0.302 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000408352673 160090355 /nfs/dbraw/zinc/09/03/55/160090355.db2.gz TUEAYHSTDGTREQ-UONOGXRCSA-N 0 0 319.361 0.835 10 0 DCAERN CCNC(=O)C1CN(C(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC000408354274 160090965 /nfs/dbraw/zinc/09/09/65/160090965.db2.gz GWKIIEPCBRDGDW-UHFFFAOYSA-N 0 0 309.410 0.476 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCO[C@@H](CO)C1 ZINC000408369326 160093806 /nfs/dbraw/zinc/09/38/06/160093806.db2.gz VOUYBFKZJKSVPO-JHJVBQTASA-N 0 0 313.398 0.084 10 0 DCAERN CC(=O)NCC1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408379562 160096094 /nfs/dbraw/zinc/09/60/94/160096094.db2.gz MBLAXPRLYLCNJO-UHFFFAOYSA-N 0 0 303.428 0.612 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H]1C(C)(C)O ZINC000408382372 160096662 /nfs/dbraw/zinc/09/66/62/160096662.db2.gz CRCOWAJFXBWLGU-VIFPVBQESA-N 0 0 307.803 0.998 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408385968 160097713 /nfs/dbraw/zinc/09/77/13/160097713.db2.gz MZCWRFXQCZPHPG-SECBINFHSA-N 0 0 320.802 0.363 10 0 DCAERN CC(C)(C)c1nnc(CN2CC[C@H](NS(C)(=O)=O)C2)[nH]1 ZINC000408398458 160100307 /nfs/dbraw/zinc/10/03/07/160100307.db2.gz WTGRHGPJGXKTJD-VIFPVBQESA-N 0 0 301.416 0.226 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@@H](O)[C@H](O)C1 ZINC000408400387 160100958 /nfs/dbraw/zinc/10/09/58/160100958.db2.gz ROAXFSNPGXCLNQ-ZIAGYGMSSA-N 0 0 319.361 0.492 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1=O ZINC000408401829 160101093 /nfs/dbraw/zinc/10/10/93/160101093.db2.gz FMNWRMMXJUGVIS-VIFPVBQESA-N 0 0 303.322 0.229 10 0 DCAERN O=S1(=O)CCCN1[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000408402058 160101257 /nfs/dbraw/zinc/10/12/57/160101257.db2.gz JRMRNAGSINNVHD-UWVGGRQHSA-N 0 0 316.345 0.410 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000408407913 160102646 /nfs/dbraw/zinc/10/26/46/160102646.db2.gz XDSCVRNGGRKFFV-YUTCNCBUSA-N 0 0 309.410 0.808 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(C)C)CC(=O)N1 ZINC000408413125 160103409 /nfs/dbraw/zinc/10/34/09/160103409.db2.gz CFORINORAFKKCJ-JHJVBQTASA-N 0 0 309.410 0.664 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC000408412444 160103506 /nfs/dbraw/zinc/10/35/06/160103506.db2.gz QBVFEPSWCKTFSH-QJPTWQEYSA-N 0 0 304.412 0.340 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCC2([S@@](C)=O)CCC2)C1 ZINC000408414651 160103537 /nfs/dbraw/zinc/10/35/37/160103537.db2.gz HESPKVWHFZHPNN-LAJNKCICSA-N 0 0 315.439 0.598 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](O)C1CCCCC1 ZINC000408413631 160103612 /nfs/dbraw/zinc/10/36/12/160103612.db2.gz CLFYAVNWCMWQFB-YPMHNXCESA-N 0 0 303.424 0.821 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000408429434 160106090 /nfs/dbraw/zinc/10/60/90/160106090.db2.gz KFSBYMYAHVKFER-ZYHUDNBSSA-N 0 0 310.398 0.483 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408431800 160106783 /nfs/dbraw/zinc/10/67/83/160106783.db2.gz BYWYXSIRDJUOLD-HBNTYKKESA-N 0 0 312.457 0.044 10 0 DCAERN CC1(O)CC(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000408454621 160111963 /nfs/dbraw/zinc/11/19/63/160111963.db2.gz WDRZRFGFQLMTDR-UHFFFAOYSA-N 0 0 318.373 0.838 10 0 DCAERN COc1ccnc(N2CCN(S(=O)(=O)C3(C)CC3)CC2)n1 ZINC000408456053 160112167 /nfs/dbraw/zinc/11/21/67/160112167.db2.gz GCWYSVZSHDVXFZ-UHFFFAOYSA-N 0 0 312.395 0.490 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000408456634 160112682 /nfs/dbraw/zinc/11/26/82/160112682.db2.gz KBRXMWNIIMDVKM-UHFFFAOYSA-N 0 0 309.391 0.114 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)C(C)C)CC1 ZINC000408466290 160114597 /nfs/dbraw/zinc/11/45/97/160114597.db2.gz LAVKQULAVLNSGQ-NSHDSACASA-N 0 0 320.459 0.506 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000408472159 160115623 /nfs/dbraw/zinc/11/56/23/160115623.db2.gz UJORYIRCFVSQJF-IVZWLZJFSA-N 0 0 324.299 0.005 10 0 DCAERN CN(C)c1noc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1 ZINC000408473482 160115654 /nfs/dbraw/zinc/11/56/54/160115654.db2.gz LPIVLGIXDMZEAH-WCQYABFASA-N 0 0 323.397 0.238 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@H]1C(N)=O ZINC000408473662 160116314 /nfs/dbraw/zinc/11/63/14/160116314.db2.gz GTRLJJVMDJLXTA-ZYHUDNBSSA-N 0 0 304.346 0.580 10 0 DCAERN C[C@@H](CNC(=O)NCCCN1CCCC1=O)Cn1cccn1 ZINC000052497238 286895018 /nfs/dbraw/zinc/89/50/18/286895018.db2.gz LTMHHESPRBVOPK-ZDUSSCGKSA-N 0 0 307.398 0.831 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OC)cc1 ZINC000070303110 286910151 /nfs/dbraw/zinc/91/01/51/286910151.db2.gz JAQPLIPEMMUPGL-SECBINFHSA-N 0 0 315.347 0.242 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCCOCC2)cc1 ZINC000070303157 286910195 /nfs/dbraw/zinc/91/01/95/286910195.db2.gz DRSLSSRBSWUAJD-UHFFFAOYSA-N 0 0 313.375 0.813 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073650914 286913788 /nfs/dbraw/zinc/91/37/88/286913788.db2.gz AHNKEFWLUDMJRR-ZIAGYGMSSA-N 0 0 310.442 0.981 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(C)(C)C ZINC000087355441 286931230 /nfs/dbraw/zinc/93/12/30/286931230.db2.gz LEJOJRYYXUDXKB-VHSXEESVSA-N 0 0 316.427 0.638 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(C)(C)NC(=O)OC)CC2 ZINC000114865126 286944543 /nfs/dbraw/zinc/94/45/43/286944543.db2.gz GNTUHPJCYUWUDH-VIFPVBQESA-N 0 0 309.370 0.406 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)NC1CCCCC1 ZINC000124515069 286963961 /nfs/dbraw/zinc/96/39/61/286963961.db2.gz DXBCBPWECKFJCN-UHFFFAOYSA-N 0 0 320.393 0.693 10 0 DCAERN CCc1nc(-c2ccc(C(=O)N3CCNC(=O)CC3)cc2)n[nH]1 ZINC000125107336 286965662 /nfs/dbraw/zinc/96/56/62/286965662.db2.gz PDNNTZUILDCKLE-UHFFFAOYSA-N 0 0 313.361 0.996 10 0 DCAERN Cc1noc(CCNC(=O)Cn2cnc(-c3ccccc3)n2)n1 ZINC000129347741 286987636 /nfs/dbraw/zinc/98/76/36/286987636.db2.gz FJIWNYBJZNXMII-UHFFFAOYSA-N 0 0 312.333 0.995 10 0 DCAERN CCCNC(=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000132663270 287006336 /nfs/dbraw/zinc/00/63/36/287006336.db2.gz UTZDKTAWNKTBFO-UHFFFAOYSA-N 0 0 304.350 0.362 10 0 DCAERN COc1cc(C)cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000134390345 287016187 /nfs/dbraw/zinc/01/61/87/287016187.db2.gz RXLJRMCXZMBRKJ-OCCSQVGLSA-N 0 0 306.362 0.864 10 0 DCAERN COC(=O)NC(C)(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133995338 287014729 /nfs/dbraw/zinc/01/47/29/287014729.db2.gz IZXXYFLNAXTTHC-JTQLQIEISA-N 0 0 323.397 0.967 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)[C@H](C)CO1 ZINC000134071484 287014733 /nfs/dbraw/zinc/01/47/33/287014733.db2.gz SSMDUAPGVGFEOX-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)CCCC(=O)NC[C@@H](O)C(C)C ZINC000134240677 287015488 /nfs/dbraw/zinc/01/54/88/287015488.db2.gz MTNGBUMGVFDTEN-BETUJISGSA-N 0 0 302.415 0.423 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCC([C@H](O)C(=O)OC)CC1 ZINC000135338183 287021336 /nfs/dbraw/zinc/02/13/36/287021336.db2.gz DEXYSBNKYOHOBF-ZDUSSCGKSA-N 0 0 300.399 0.537 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000135651680 287023877 /nfs/dbraw/zinc/02/38/77/287023877.db2.gz JTVUSCODPUVCHE-VXGBXAGGSA-N 0 0 318.439 0.732 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CC(OCCCOC)C2)c1CC ZINC000136321888 287026335 /nfs/dbraw/zinc/02/63/35/287026335.db2.gz YOQPJJSKXKIIQR-UHFFFAOYSA-N 0 0 323.393 0.772 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000152185134 287039448 /nfs/dbraw/zinc/03/94/48/287039448.db2.gz GMXWYWCNGRIXSH-NSHDSACASA-N 0 0 316.292 0.546 10 0 DCAERN CSC[C@@H](CCO)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000153269844 287048973 /nfs/dbraw/zinc/04/89/73/287048973.db2.gz HLWZCAYQKJNLGB-SNVBAGLBSA-N 0 0 309.391 0.560 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245883545 287073741 /nfs/dbraw/zinc/07/37/41/287073741.db2.gz NZDFITQZJQUBLZ-QJPTWQEYSA-N 0 0 308.444 0.727 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@H](C)COC)CCN1C[C@H](C)O ZINC000246095625 287076907 /nfs/dbraw/zinc/07/69/07/287076907.db2.gz LEKMNWURIXAYRU-YNEHKIRRSA-N 0 0 308.444 0.128 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H](C)CO1 ZINC000246485993 287084324 /nfs/dbraw/zinc/08/43/24/287084324.db2.gz WZJACVMDWJVLFZ-OFTGVCEQSA-N 0 0 318.439 0.744 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247201228 287092060 /nfs/dbraw/zinc/09/20/60/287092060.db2.gz TUWSSFBFYVBXSG-DGCLKSJQSA-N 0 0 317.455 0.447 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000247870046 287095640 /nfs/dbraw/zinc/09/56/40/287095640.db2.gz XKMMXWYUXHOTAA-GHMZBOCLSA-N 0 0 324.402 0.896 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)no1 ZINC000248404310 287096531 /nfs/dbraw/zinc/09/65/31/287096531.db2.gz PZLNAVHCNLESAI-DTWKUNHWSA-N 0 0 304.372 0.164 10 0 DCAERN CC(C)[C@H](C(=O)NCCCn1ccnn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248450649 287097262 /nfs/dbraw/zinc/09/72/62/287097262.db2.gz JDECUTOQVUNJFJ-QLFBSQMISA-N 0 0 323.441 0.918 10 0 DCAERN COc1ccc2c(c1)N(C[C@@H](O)CN1CCOCC1)C[C@H](C)O2 ZINC000247548977 287094521 /nfs/dbraw/zinc/09/45/21/287094521.db2.gz PSOPQKILPBQFGS-KBPBESRZSA-N 0 0 322.405 0.976 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248915043 287103480 /nfs/dbraw/zinc/10/34/80/287103480.db2.gz JTDKPRWZSPBDIC-CIUDSAMLSA-N 0 0 303.302 0.493 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000248911010 287103594 /nfs/dbraw/zinc/10/35/94/287103594.db2.gz IYULIYGRHPVYSS-WCFLWFBJSA-N 0 0 304.412 0.342 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000248980927 287104381 /nfs/dbraw/zinc/10/43/81/287104381.db2.gz VIJLTSDHZSIBCS-XQQFMLRXSA-N 0 0 306.428 0.194 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248695603 287100287 /nfs/dbraw/zinc/10/02/87/287100287.db2.gz JPASBIDBDNCZTJ-UPJWGTAASA-N 0 0 305.444 0.102 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000248734527 287100702 /nfs/dbraw/zinc/10/07/02/287100702.db2.gz AZCSBPBVXBVNQI-NDBYEHHHSA-N 0 0 318.439 0.493 10 0 DCAERN COCCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000249075446 287106097 /nfs/dbraw/zinc/10/60/97/287106097.db2.gz NHCHMKHLNXCJQB-QWHCGFSZSA-N 0 0 306.428 0.700 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249536738 287112987 /nfs/dbraw/zinc/11/29/87/287112987.db2.gz CQVPOQXZEBGVJG-HNNXBMFYSA-N 0 0 305.422 0.610 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCN1CCO ZINC000249948284 287118820 /nfs/dbraw/zinc/11/88/20/287118820.db2.gz ILPACUGCPYDZAR-HIFRSBDPSA-N 0 0 323.437 0.160 10 0 DCAERN CO[C@@H]1CN(C(=O)NC[C@H]2CCCS2(=O)=O)CC[C@H]1C ZINC000252040279 287120567 /nfs/dbraw/zinc/12/05/67/287120567.db2.gz ZJOPCNOGWUNWHG-IJLUTSLNSA-N 0 0 304.412 0.630 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@@H](C)O1 ZINC000252441945 287120619 /nfs/dbraw/zinc/12/06/19/287120619.db2.gz DNRVOHNTZAMPCQ-NXEZZACHSA-N 0 0 315.395 0.312 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000358391662 287208205 /nfs/dbraw/zinc/20/82/05/287208205.db2.gz WWQOQIJNWMPHPR-UHFFFAOYSA-N 0 0 310.379 0.507 10 0 DCAERN CCOCCN1CCN(CCS(=O)(=O)C(C)C)C[C@H]1C ZINC000246942036 685168164 /nfs/dbraw/zinc/16/81/64/685168164.db2.gz HRDFPPQJOKYCIN-CQSZACIVSA-N 0 0 306.472 0.852 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN2CCOC[C@H]2C1 ZINC000363871161 287218834 /nfs/dbraw/zinc/21/88/34/287218834.db2.gz ZTWLUPKPZQUCLB-LLVKDONJSA-N 0 0 302.334 0.425 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000368866753 287222957 /nfs/dbraw/zinc/22/29/57/287222957.db2.gz OTKMGJTVKFNUOD-OCCSQVGLSA-N 0 0 320.418 0.680 10 0 DCAERN CCNC(=O)N1CC[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000471743692 412412414 /nfs/dbraw/zinc/41/24/14/412412414.db2.gz IEZDYIUIQSDKDL-QMMMGPOBSA-N 0 0 305.342 0.285 10 0 DCAERN CNC(=O)NC(=O)CNc1cccc(C(=O)N2CCCC2)c1 ZINC000026804805 415170943 /nfs/dbraw/zinc/17/09/43/415170943.db2.gz DCONDUYITHWWJR-UHFFFAOYSA-N 0 0 304.350 0.790 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(C)no1 ZINC000050353831 415314173 /nfs/dbraw/zinc/31/41/73/415314173.db2.gz ABWFHCRXILIUAZ-LBPRGKRZSA-N 0 0 315.395 0.803 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051991955 415320234 /nfs/dbraw/zinc/32/02/34/415320234.db2.gz FJGROGXYAHTTDV-AGIUHOORSA-N 0 0 318.439 0.610 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000273704268 415324700 /nfs/dbraw/zinc/32/47/00/415324700.db2.gz NIHVFTPDPWQKGI-UHFFFAOYSA-N 0 0 320.393 0.882 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)CCNS(C)(=O)=O ZINC000058982160 415341577 /nfs/dbraw/zinc/34/15/77/415341577.db2.gz XWSKRGOMGDGDCR-UHFFFAOYSA-N 0 0 314.407 0.983 10 0 DCAERN NC(=O)NCC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000058971898 415342613 /nfs/dbraw/zinc/34/26/13/415342613.db2.gz XBBALTRIRHPVFJ-UHFFFAOYSA-N 0 0 305.256 0.869 10 0 DCAERN COCCN(C(=O)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000068713803 415393635 /nfs/dbraw/zinc/39/36/35/415393635.db2.gz UIPCDJYKPQMIJM-UHFFFAOYSA-N 0 0 324.381 0.164 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnns1 ZINC000067199723 415374996 /nfs/dbraw/zinc/37/49/96/415374996.db2.gz CLTXJEDCOPQOCB-NSHDSACASA-N 0 0 304.375 0.967 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1csc(Cl)n1 ZINC000275448168 415377778 /nfs/dbraw/zinc/37/77/78/415377778.db2.gz ATPMMFXQHMSYCH-UHFFFAOYSA-N 0 0 305.787 0.973 10 0 DCAERN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332800730 415481769 /nfs/dbraw/zinc/48/17/69/415481769.db2.gz WNPFODJWABDXDR-AEGPPILISA-N 0 0 318.425 0.935 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H]1CCCSC1 ZINC000332836537 415489221 /nfs/dbraw/zinc/48/92/21/415489221.db2.gz LMWSQVSLBXUHLS-WDEREUQCSA-N 0 0 321.468 0.592 10 0 DCAERN O=C(N[C@@H]1CNC(=O)C1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000332866165 415495749 /nfs/dbraw/zinc/49/57/49/415495749.db2.gz UHKDQMOJIYEQRV-BQBZGAKWSA-N 0 0 316.283 0.538 10 0 DCAERN CCN1CCCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1=O ZINC000276150502 415440409 /nfs/dbraw/zinc/44/04/09/415440409.db2.gz CXCLQZXHOVYQFQ-LBPRGKRZSA-N 0 0 320.393 0.618 10 0 DCAERN CCC(C)(CC)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000087357174 415514228 /nfs/dbraw/zinc/51/42/28/415514228.db2.gz WZTPLHRORZQVAR-JTQLQIEISA-N 0 0 316.427 0.782 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000087563272 415514790 /nfs/dbraw/zinc/51/47/90/415514790.db2.gz YAZJOQXJACVJGH-VHSXEESVSA-N 0 0 314.411 0.472 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000280200588 415531031 /nfs/dbraw/zinc/53/10/31/415531031.db2.gz FIWJIPDXPYHPIY-NEPJUHHUSA-N 0 0 306.366 0.692 10 0 DCAERN COCCN1CCN(C[C@H](O)COc2ccc(C)cc2)CC1=O ZINC000091834664 415540728 /nfs/dbraw/zinc/54/07/28/415540728.db2.gz UWECKEVJWZAZPV-HNNXBMFYSA-N 0 0 322.405 0.525 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333106325 415556509 /nfs/dbraw/zinc/55/65/09/415556509.db2.gz DEFGBYJBXRTGEU-NDKCEZKHSA-N 0 0 303.424 0.977 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000353719113 415633314 /nfs/dbraw/zinc/63/33/14/415633314.db2.gz HNOAEVRWEZRNKD-NEPJUHHUSA-N 0 0 308.382 1.565 10 0 DCAERN CCCS(=O)(=O)CCN1CCC[C@@H](Cn2cncn2)C1 ZINC000105884426 415639019 /nfs/dbraw/zinc/63/90/19/415639019.db2.gz ZSYIIKBEKHUQKF-CYBMUJFWSA-N 0 0 300.428 0.815 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC(=O)N1C ZINC000282429251 415579561 /nfs/dbraw/zinc/57/95/61/415579561.db2.gz QWHQMRLERYUOOE-SECBINFHSA-N 0 0 302.334 0.169 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)Cn2c3ccccc3nc2CO)C1 ZINC000097150589 415585041 /nfs/dbraw/zinc/58/50/41/415585041.db2.gz LRHSSZNJZRUBMQ-NSHDSACASA-N 0 0 316.361 0.253 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333453287 415654082 /nfs/dbraw/zinc/65/40/82/415654082.db2.gz ZCNOPNBRQHUEDP-ZKCLLBTKSA-N 0 0 321.381 0.216 10 0 DCAERN CCc1nc(CNC(=O)CN2CCCS2(=O)=O)cs1 ZINC000107616801 415673222 /nfs/dbraw/zinc/67/32/22/415673222.db2.gz PRCCQEIXRRECIG-UHFFFAOYSA-N 0 0 303.409 0.357 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000108459309 415678847 /nfs/dbraw/zinc/67/88/47/415678847.db2.gz CICSSJDBJWKIKX-JSGCOSHPSA-N 0 0 312.391 0.901 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(N2CCNC2=O)C1 ZINC000333550709 415679639 /nfs/dbraw/zinc/67/96/39/415679639.db2.gz FPERISIQSVSARW-AAEUAGOBSA-N 0 0 310.398 0.467 10 0 DCAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1COC[C@H]1O ZINC000333573357 415688404 /nfs/dbraw/zinc/68/84/04/415688404.db2.gz MTKCZGHLOQZAQM-QHSBEEBCSA-N 0 0 323.393 0.808 10 0 DCAERN O=C(c1csnn1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000111662383 415696451 /nfs/dbraw/zinc/69/64/51/415696451.db2.gz OYFDZCRMZRZQQF-SNVBAGLBSA-N 0 0 312.420 0.718 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)cc1F ZINC000288837787 415696671 /nfs/dbraw/zinc/69/66/71/415696671.db2.gz CXASHVYELAATOS-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2nccn21 ZINC000333620809 415696980 /nfs/dbraw/zinc/69/69/80/415696980.db2.gz UEMDAQOKOFOIBP-WISYIIOYSA-N 0 0 317.353 0.420 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000113392112 415721151 /nfs/dbraw/zinc/72/11/51/415721151.db2.gz VZQYKYMHGONHGP-CHWSQXEVSA-N 0 0 316.361 0.641 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCc2ccccc2C1=O)N1CCN(C)CC1 ZINC000333759285 415730255 /nfs/dbraw/zinc/73/02/55/415730255.db2.gz VHUFMMAPBZXPSI-BBRMVZONSA-N 0 0 315.417 0.936 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654856 415710920 /nfs/dbraw/zinc/71/09/20/415710920.db2.gz SUJFLIKKQQOPNQ-LBPRGKRZSA-N 0 0 307.398 0.748 10 0 DCAERN CC(=O)N(C)C1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000354074734 415743897 /nfs/dbraw/zinc/74/38/97/415743897.db2.gz HWKBWZNDZXASTI-UHFFFAOYSA-N 0 0 319.409 0.760 10 0 DCAERN C[C@@]1(CNC(=O)NC(CO)CO)CCC[N@@H+]1Cc1ccccc1 ZINC000119628962 415748662 /nfs/dbraw/zinc/74/86/62/415748662.db2.gz MEIRSWXFDRTVFB-KRWDZBQOSA-N 0 0 321.421 0.694 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)nn1 ZINC000290108020 415761341 /nfs/dbraw/zinc/76/13/41/415761341.db2.gz KWEXUYQRZMGVAR-GFCCVEGCSA-N 0 0 317.324 0.485 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000120350397 415763014 /nfs/dbraw/zinc/76/30/14/415763014.db2.gz ZOPHFZNUVKZNTB-AAEUAGOBSA-N 0 0 319.361 0.365 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)CNC(=O)c2cccnc2)CC1=O ZINC000120598823 415776505 /nfs/dbraw/zinc/77/65/05/415776505.db2.gz CQVJLZRKZDZUGD-LBPRGKRZSA-N 0 0 318.377 0.327 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCC(C)(C)C(N)=O)no2)c1 ZINC000120257227 415758896 /nfs/dbraw/zinc/75/88/96/415758896.db2.gz LHYOCTPQGHBRFV-UHFFFAOYSA-N 0 0 305.338 0.469 10 0 DCAERN COC(=O)CCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122246284 415830598 /nfs/dbraw/zinc/83/05/98/415830598.db2.gz FNUXQDZKTSANKH-GFCCVEGCSA-N 0 0 306.366 0.857 10 0 DCAERN Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](C2CC2)[NH+]2CCCC2)cn1 ZINC000123752467 415845055 /nfs/dbraw/zinc/84/50/55/415845055.db2.gz PNNGDPMTIJXXMB-LBPRGKRZSA-N 0 0 312.395 0.099 10 0 DCAERN CC1(C)c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000292782455 415847675 /nfs/dbraw/zinc/84/76/75/415847675.db2.gz MQRREOGOFIQVEO-JTQLQIEISA-N 0 0 322.386 0.833 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1C ZINC000124195767 415849222 /nfs/dbraw/zinc/84/92/22/415849222.db2.gz IOUFUZAOEVGIJU-VXGBXAGGSA-N 0 0 321.377 0.573 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000120908895 415784212 /nfs/dbraw/zinc/78/42/12/415784212.db2.gz TUTYYTGEQKKLJA-AWEZNQCLSA-N 0 0 309.414 0.554 10 0 DCAERN Cn1nc(NC(=O)NC[C@H]2CCC[C@H]2O)cc1OC(F)F ZINC000334084977 415802505 /nfs/dbraw/zinc/80/25/05/415802505.db2.gz RLGBLIIJKYAYGD-HTQZYQBOSA-N 0 0 304.297 1.304 10 0 DCAERN C[N@H+](CC(=O)NC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000121661364 415813682 /nfs/dbraw/zinc/81/36/82/415813682.db2.gz NZWFQQRCPVQNHS-UHFFFAOYSA-N 0 0 305.444 0.257 10 0 DCAERN O=C(CNC(=O)c1ccoc1C(F)(F)F)N1CCOCC1 ZINC000290512165 415815170 /nfs/dbraw/zinc/81/51/70/415815170.db2.gz TXQVHYDMRPUTOH-UHFFFAOYSA-N 0 0 306.240 0.887 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121746338 415817684 /nfs/dbraw/zinc/81/76/84/415817684.db2.gz QTDXPAIEGMHGDG-ZJUUUORDSA-N 0 0 314.363 0.043 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000336834039 415826254 /nfs/dbraw/zinc/82/62/54/415826254.db2.gz HQAZSYPPXIVIOS-NWDGAFQWSA-N 0 0 301.412 0.866 10 0 DCAERN CN(C)c1ncc(NC(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000125884106 415871233 /nfs/dbraw/zinc/87/12/33/415871233.db2.gz ZIDLIPSPNMRZTG-UHFFFAOYSA-N 0 0 310.321 0.771 10 0 DCAERN C[C@@H]1CC(NC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000126247459 415872805 /nfs/dbraw/zinc/87/28/05/415872805.db2.gz ZEYKNOSGLQXXRH-NXEZZACHSA-N 0 0 319.365 0.202 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126318212 415875485 /nfs/dbraw/zinc/87/54/85/415875485.db2.gz FDSODXOYCQCYRK-VXGBXAGGSA-N 0 0 318.377 0.855 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000131801608 415928834 /nfs/dbraw/zinc/92/88/34/415928834.db2.gz TUXZGPRNYFYGAO-MLGOLLRUSA-N 0 0 309.410 0.618 10 0 DCAERN CN(CC1CCC1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000127065044 415883345 /nfs/dbraw/zinc/88/33/45/415883345.db2.gz TXLFBZZROKHMAW-GFCCVEGCSA-N 0 0 303.428 0.852 10 0 DCAERN COc1cccc(CNC(=O)CS(=O)(=O)CC(C)C)n1 ZINC000128224711 415896202 /nfs/dbraw/zinc/89/62/02/415896202.db2.gz VRUWAKOHTZLUAB-UHFFFAOYSA-N 0 0 300.380 0.777 10 0 DCAERN CN(C)c1nc(Cn2cnc3c2ncnc3N(C)C)ns1 ZINC000128872806 415904870 /nfs/dbraw/zinc/90/48/70/415904870.db2.gz SBWXERFIVMJXNV-UHFFFAOYSA-N 0 0 304.383 0.858 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000296090581 415907164 /nfs/dbraw/zinc/90/71/64/415907164.db2.gz QMCHKPHQVSJNQJ-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000131802059 415929932 /nfs/dbraw/zinc/92/99/32/415929932.db2.gz TUXZGPRNYFYGAO-BLLLJJGKSA-N 0 0 309.410 0.618 10 0 DCAERN Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133713983 415949119 /nfs/dbraw/zinc/94/91/19/415949119.db2.gz PADSMRUCGMONLU-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)nc1 ZINC000151543246 415964576 /nfs/dbraw/zinc/96/45/76/415964576.db2.gz IPRNKQSFGXDYNT-ZDUSSCGKSA-N 0 0 312.329 0.869 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000153681626 415986677 /nfs/dbraw/zinc/98/66/77/415986677.db2.gz CCGKUMOYXDDWCO-WDEREUQCSA-N 0 0 306.366 0.859 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 ZINC000344800837 415989440 /nfs/dbraw/zinc/98/94/40/415989440.db2.gz RVBAHKFLKFBRIY-UHFFFAOYSA-N 0 0 315.333 0.626 10 0 DCAERN CCN(CC)C(=O)CCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000154926624 415991880 /nfs/dbraw/zinc/99/18/80/415991880.db2.gz PGQZMAIUKIHICV-AWEZNQCLSA-N 0 0 311.426 0.614 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)C[C@@H](C)O)CC2 ZINC000155173665 415994148 /nfs/dbraw/zinc/99/41/48/415994148.db2.gz GAQKSZKPWMZGRR-QJPTWQEYSA-N 0 0 309.414 0.862 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000155165960 415995335 /nfs/dbraw/zinc/99/53/35/415995335.db2.gz DXQVGYBPBPATSS-LBPRGKRZSA-N 0 0 315.333 0.434 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCOC[C@@H]2c2nc(C)no2)n1 ZINC000155369228 415996655 /nfs/dbraw/zinc/99/66/55/415996655.db2.gz OGXZATLAQLKDFQ-GFCCVEGCSA-N 0 0 305.338 0.791 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)N[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000337694410 415998110 /nfs/dbraw/zinc/99/81/10/415998110.db2.gz AGCJJBAWVKJVJQ-FZMZJTMJSA-N 0 0 317.389 0.762 10 0 DCAERN CC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccncc1 ZINC000158517426 415999199 /nfs/dbraw/zinc/99/91/99/415999199.db2.gz XJADQGVCDLAHQX-NSHDSACASA-N 0 0 304.350 0.979 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000132820696 415935219 /nfs/dbraw/zinc/93/52/19/415935219.db2.gz ZQVIQNXYYVKBAY-OLZOCXBDSA-N 0 0 309.366 0.618 10 0 DCAERN CCN(CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)S(C)(=O)=O ZINC000172165059 416043568 /nfs/dbraw/zinc/04/35/68/416043568.db2.gz JWVGSCBOGFPTOI-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000172332560 416045800 /nfs/dbraw/zinc/04/58/00/416045800.db2.gz HMGKJNLCLXEGRX-UWVGGRQHSA-N 0 0 314.345 0.697 10 0 DCAERN CC(C)CN(C(=O)CN1CCS(=O)(=O)C[C@@H]1C)C(C)C ZINC000172630333 416046753 /nfs/dbraw/zinc/04/67/53/416046753.db2.gz QPSFLKBQFUNRSG-ZDUSSCGKSA-N 0 0 304.456 0.998 10 0 DCAERN COc1cccc([C@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000173085650 416052387 /nfs/dbraw/zinc/05/23/87/416052387.db2.gz JNQKYAXSALZGMW-JTQLQIEISA-N 0 0 317.345 0.835 10 0 DCAERN CN(C)c1ncccc1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000173091545 416052831 /nfs/dbraw/zinc/05/28/31/416052831.db2.gz WBUUNBFEZOXWKA-UHFFFAOYSA-N 0 0 314.411 0.092 10 0 DCAERN CCCc1ncc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)s1 ZINC000173086012 416052956 /nfs/dbraw/zinc/05/29/56/416052956.db2.gz KQKGEVIFLPYHSL-UHFFFAOYSA-N 0 0 308.363 0.745 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CC3(O)CCCC3)CCO2)[nH]1 ZINC000173407018 416057135 /nfs/dbraw/zinc/05/71/35/416057135.db2.gz XQRKJAWAOGMPLT-NSHDSACASA-N 0 0 308.382 0.962 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173473639 416058591 /nfs/dbraw/zinc/05/85/91/416058591.db2.gz ASHIEAAKJAKXNH-JTQLQIEISA-N 0 0 315.439 0.909 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ncccc3O)C2)cn1 ZINC000173468726 416058594 /nfs/dbraw/zinc/05/85/94/416058594.db2.gz PTJPBBVOELOVKQ-NSHDSACASA-N 0 0 301.350 0.920 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3cncc(O)c3)C2)cn1 ZINC000173468468 416059121 /nfs/dbraw/zinc/05/91/21/416059121.db2.gz REICJONWIZXOKH-LBPRGKRZSA-N 0 0 301.350 0.920 10 0 DCAERN CC(=O)N1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000357307503 416060354 /nfs/dbraw/zinc/06/03/54/416060354.db2.gz RGGYVAKWQNDVIM-OCCSQVGLSA-N 0 0 317.455 0.211 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173610204 416061767 /nfs/dbraw/zinc/06/17/67/416061767.db2.gz ZIRYZPYHKUZSAD-LLVKDONJSA-N 0 0 323.397 0.573 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)[nH]1 ZINC000173605371 416062287 /nfs/dbraw/zinc/06/22/87/416062287.db2.gz OMMSJOXQNGNABK-LBPRGKRZSA-N 0 0 315.333 0.652 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000173695084 416064542 /nfs/dbraw/zinc/06/45/42/416064542.db2.gz XCTDNCPDHGZAHY-LBPRGKRZSA-N 0 0 323.360 0.912 10 0 DCAERN CCOCCOCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173877916 416068718 /nfs/dbraw/zinc/06/87/18/416068718.db2.gz HKSVSBAAFXOQNP-KGLIPLIRSA-N 0 0 300.399 0.219 10 0 DCAERN Cn1nccc1CNC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000173949872 416069983 /nfs/dbraw/zinc/06/99/83/416069983.db2.gz MUFMVWCSGDLKGL-HNNXBMFYSA-N 0 0 321.425 0.816 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(c2nncn2C)CC1 ZINC000174077428 416072244 /nfs/dbraw/zinc/07/22/44/416072244.db2.gz CEFXJKKIOMXSHG-UHFFFAOYSA-N 0 0 318.385 0.331 10 0 DCAERN Cc1ccc(OCCN(C)C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000174182885 416074574 /nfs/dbraw/zinc/07/45/74/416074574.db2.gz JMDNLEBYXXIMSS-UHFFFAOYSA-N 0 0 317.349 0.223 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1C(N)=O ZINC000158824444 416003044 /nfs/dbraw/zinc/00/30/44/416003044.db2.gz LBWRGHCLJJLYOR-NXEZZACHSA-N 0 0 300.380 0.389 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880793 416003120 /nfs/dbraw/zinc/00/31/20/416003120.db2.gz UVQOELIPDBJPAA-VHSXEESVSA-N 0 0 311.407 0.652 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000158820123 416003568 /nfs/dbraw/zinc/00/35/68/416003568.db2.gz HLIKCWOOQMHBSW-NXEZZACHSA-N 0 0 301.364 0.768 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CS(=O)(=O)N(C)C ZINC000344913229 416007900 /nfs/dbraw/zinc/00/79/00/416007900.db2.gz NRSSZXHIXZNDKM-UHFFFAOYSA-N 0 0 313.379 0.499 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163732354 416017165 /nfs/dbraw/zinc/01/71/65/416017165.db2.gz CKUYPQPXCBKNCH-SNVBAGLBSA-N 0 0 301.350 0.655 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000357018579 416021686 /nfs/dbraw/zinc/02/16/86/416021686.db2.gz YBRPYEQIERNQKY-YCPHGPKFSA-N 0 0 312.410 0.368 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CS(=O)(=O)N(C)C)c1 ZINC000344993611 416023351 /nfs/dbraw/zinc/02/33/51/416023351.db2.gz OTYDQPJQPSKKOZ-UHFFFAOYSA-N 0 0 313.379 0.499 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000170821860 416033786 /nfs/dbraw/zinc/03/37/86/416033786.db2.gz KJDKOLFVSSQWNQ-SWLSCSKDSA-N 0 0 317.389 0.982 10 0 DCAERN CNC(=O)CCN(C)S(=O)(=O)c1cccc2ncccc21 ZINC000171426179 416037974 /nfs/dbraw/zinc/03/79/74/416037974.db2.gz KCVMAPZPKFMDJC-UHFFFAOYSA-N 0 0 307.375 0.991 10 0 DCAERN CC(C)NC(=O)CN(C)CC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000357459934 416083944 /nfs/dbraw/zinc/08/39/44/416083944.db2.gz YFCQSNNLUGEJAA-LBPRGKRZSA-N 0 0 323.397 0.656 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)n1 ZINC000174720837 416085900 /nfs/dbraw/zinc/08/59/00/416085900.db2.gz BSPIPMBNXXCELH-RNCFNFMXSA-N 0 0 315.333 0.527 10 0 DCAERN COCc1nsc(NCCNc2cc(C)nc3ncnn32)n1 ZINC000301556258 416087475 /nfs/dbraw/zinc/08/74/75/416087475.db2.gz SIYLGXUQIJGWAS-UHFFFAOYSA-N 0 0 320.382 0.955 10 0 DCAERN Cc1cc(-c2noc(-c3cn(CC(N)=O)nn3)n2)ccc1F ZINC000174834245 416088927 /nfs/dbraw/zinc/08/89/27/416088927.db2.gz LNRZMIGQXKOQCV-UHFFFAOYSA-N 0 0 302.269 0.928 10 0 DCAERN COC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175005895 416093629 /nfs/dbraw/zinc/09/36/29/416093629.db2.gz PZHCTXYRNQTWLA-LLVKDONJSA-N 0 0 308.382 0.765 10 0 DCAERN COC(=O)CSCCC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357931955 416155589 /nfs/dbraw/zinc/15/55/89/416155589.db2.gz XFNNHMURVHLEMX-SNVBAGLBSA-N 0 0 302.396 0.362 10 0 DCAERN Cc1nc(CNC(=O)C(=O)N2CCc3cccc(C)c32)no1 ZINC000175223470 416101441 /nfs/dbraw/zinc/10/14/41/416101441.db2.gz AXYQEBBKKKLCEA-UHFFFAOYSA-N 0 0 300.318 0.892 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499115 416107883 /nfs/dbraw/zinc/10/78/83/416107883.db2.gz RSGACLWBOJKICU-LBPRGKRZSA-N 0 0 307.398 0.290 10 0 DCAERN Cc1cnn(CCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000175793088 416115409 /nfs/dbraw/zinc/11/54/09/416115409.db2.gz XJHDSDRCNBDFBR-GJZGRUSLSA-N 0 0 321.425 0.554 10 0 DCAERN CCC1(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CCC1 ZINC000176093575 416121107 /nfs/dbraw/zinc/12/11/07/416121107.db2.gz JNHZNTZFPSUARZ-UHFFFAOYSA-N 0 0 324.425 0.699 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000324464592 416122022 /nfs/dbraw/zinc/12/20/22/416122022.db2.gz ZBCYSHGANWJQNR-QWRGUYRKSA-N 0 0 306.428 0.181 10 0 DCAERN CCN1CCN(C(=O)Nc2ccn(C)n2)C[C@@H]1c1nccn1C ZINC000328617678 416123636 /nfs/dbraw/zinc/12/36/36/416123636.db2.gz CZQNECUCYIBCOX-GFCCVEGCSA-N 0 0 317.397 1.064 10 0 DCAERN Cc1cc[nH]c(=O)c1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000328616248 416123983 /nfs/dbraw/zinc/12/39/83/416123983.db2.gz BMUYWGSICOJVKM-LLVKDONJSA-N 0 0 301.350 0.948 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000357741199 416124892 /nfs/dbraw/zinc/12/48/92/416124892.db2.gz UXLXDZIJBKQKOI-NSHDSACASA-N 0 0 321.425 0.842 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)C1CCCC1 ZINC000176608233 416128827 /nfs/dbraw/zinc/12/88/27/416128827.db2.gz OIPTUPCXNKPKOX-LLVKDONJSA-N 0 0 306.428 0.637 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC000345716503 416137679 /nfs/dbraw/zinc/13/76/79/416137679.db2.gz SSTJHDOIRVEYTI-ZDUSSCGKSA-N 0 0 311.407 0.687 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000357828172 416138032 /nfs/dbraw/zinc/13/80/32/416138032.db2.gz APTXXVZXTHLUKE-UHFFFAOYSA-N 0 0 309.414 0.957 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000177616259 416147879 /nfs/dbraw/zinc/14/78/79/416147879.db2.gz XLZTZTLYGLGHIM-XFJVYGCCSA-N 0 0 315.373 0.707 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177597568 416148295 /nfs/dbraw/zinc/14/82/95/416148295.db2.gz LNIGFRKXZIEODC-GXTWGEPZSA-N 0 0 317.393 0.820 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N[C@H]3CCCn4ncnc43)nc2n1 ZINC000177597913 416148692 /nfs/dbraw/zinc/14/86/92/416148692.db2.gz SFTZLZBIVGODDL-JTQLQIEISA-N 0 0 312.337 0.598 10 0 DCAERN COCCCOC1CN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000177529804 416148826 /nfs/dbraw/zinc/14/88/26/416148826.db2.gz UCUMPONLANOWJM-UHFFFAOYSA-N 0 0 317.349 0.540 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177807809 416152354 /nfs/dbraw/zinc/15/23/54/416152354.db2.gz QZVGYTUXBXHPEC-VHSXEESVSA-N 0 0 318.333 0.808 10 0 DCAERN C[C@H](NC(=O)NCC(=O)N(C)C)c1cn(-c2ccccc2)nn1 ZINC000177871773 416153590 /nfs/dbraw/zinc/15/35/90/416153590.db2.gz IEHKAIFTWRAZPU-NSHDSACASA-N 0 0 316.365 0.716 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)[C@H](C)C1 ZINC000357924027 416153970 /nfs/dbraw/zinc/15/39/70/416153970.db2.gz GPDMGHZHVFYCQI-SECBINFHSA-N 0 0 306.366 0.299 10 0 DCAERN CC(C)(O)CCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000357922986 416154935 /nfs/dbraw/zinc/15/49/35/416154935.db2.gz YAQQRXURWJBXKX-GFCCVEGCSA-N 0 0 313.398 0.227 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ncc(C)s1 ZINC000177942063 416155090 /nfs/dbraw/zinc/15/50/90/416155090.db2.gz KEJPHKDTQWUEAO-VIFPVBQESA-N 0 0 305.425 0.910 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178541896 416166382 /nfs/dbraw/zinc/16/63/82/416166382.db2.gz KAEKSMSHWPGYKW-IHRRRGAJSA-N 0 0 305.378 0.988 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc2ccccc2c(=O)[nH]1 ZINC000178642038 416168080 /nfs/dbraw/zinc/16/80/80/416168080.db2.gz JCWARZUPHKVPTO-ZDUSSCGKSA-N 0 0 312.373 0.258 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C(=O)NC)C(C)C)CC1=O ZINC000178692666 416169701 /nfs/dbraw/zinc/16/97/01/416169701.db2.gz QCEYEZGAFNGMJN-SCRDCRAPSA-N 0 0 311.426 0.910 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)n(C)c1 ZINC000358031204 416172799 /nfs/dbraw/zinc/17/27/99/416172799.db2.gz UJPIIURIJYNWAS-LLVKDONJSA-N 0 0 313.379 0.121 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170029 416183340 /nfs/dbraw/zinc/18/33/40/416183340.db2.gz UTWZOPAOIBTLTR-NXEZZACHSA-N 0 0 316.304 0.654 10 0 DCAERN Cn1ccnc1C[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000179295376 416184630 /nfs/dbraw/zinc/18/46/30/416184630.db2.gz VWJBHXJABIWOQH-LBPRGKRZSA-N 0 0 300.428 0.353 10 0 DCAERN COc1n[nH]c(NC(=O)c2cn(Cc3cccs3)nn2)n1 ZINC000179368664 416186031 /nfs/dbraw/zinc/18/60/31/416186031.db2.gz GSJUYODBWDPLAP-UHFFFAOYSA-N 0 0 305.323 0.767 10 0 DCAERN Cn1cnn(CC(=O)N2CCC[C@H](c3nccs3)C2)c1=O ZINC000179499942 416188969 /nfs/dbraw/zinc/18/89/69/416188969.db2.gz CTPUNOQKVKFJAP-JTQLQIEISA-N 0 0 307.379 0.445 10 0 DCAERN C[C@@H](NC(=O)N[C@H](C(N)=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000179608377 416191148 /nfs/dbraw/zinc/19/11/48/416191148.db2.gz CFAOJMAFOQUXFI-MWLCHTKSSA-N 0 0 322.413 0.875 10 0 DCAERN CCc1nnsc1C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181403057 416206025 /nfs/dbraw/zinc/20/60/25/416206025.db2.gz ZNKNMQZRLCFOJK-NSHDSACASA-N 0 0 306.395 0.621 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(CCO)C1CC1)CC2 ZINC000181751994 416211516 /nfs/dbraw/zinc/21/15/16/416211516.db2.gz QMWDKYLJRCTBKX-NSHDSACASA-N 0 0 307.398 0.883 10 0 DCAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000182170396 416216013 /nfs/dbraw/zinc/21/60/13/416216013.db2.gz KMYARBRENVYJGP-USWWRNFRSA-N 0 0 302.334 0.589 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCOC1 ZINC000341619053 416216169 /nfs/dbraw/zinc/21/61/69/416216169.db2.gz GRCOPVIDOHAJIF-QWRGUYRKSA-N 0 0 306.384 0.027 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000330643967 416221622 /nfs/dbraw/zinc/22/16/22/416221622.db2.gz YGZMQILAJMVMMU-MJBXVCDLSA-N 0 0 314.426 0.662 10 0 DCAERN O=C(Cn1ncc2ccccc2c1=O)NC[C@@H](CO)C1CC1 ZINC000358294752 416222058 /nfs/dbraw/zinc/22/20/58/416222058.db2.gz AKDYNOHFZASXAQ-ZDUSSCGKSA-N 0 0 301.346 0.531 10 0 DCAERN CS(=O)(=O)c1ccccc1CC(=O)NC[C@@H](CO)C1CC1 ZINC000358326467 416223138 /nfs/dbraw/zinc/22/31/38/416223138.db2.gz WEZZIPSFXDMRMD-ZDUSSCGKSA-N 0 0 311.403 0.767 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000358332995 416224053 /nfs/dbraw/zinc/22/40/53/416224053.db2.gz FCQMMEUHOVREQN-ZDUSSCGKSA-N 0 0 313.357 0.981 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178413083 416162750 /nfs/dbraw/zinc/16/27/50/416162750.db2.gz JNRKZTBUYLSHQP-PWSUYJOCSA-N 0 0 322.413 0.745 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000184690571 416251761 /nfs/dbraw/zinc/25/17/61/416251761.db2.gz MQJOZLLYSQLJQN-VXGBXAGGSA-N 0 0 318.439 0.430 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000185784629 416254880 /nfs/dbraw/zinc/25/48/80/416254880.db2.gz AFOVOCXVXSVTSW-LLVKDONJSA-N 0 0 311.386 0.188 10 0 DCAERN CCCOc1ccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185176444 416254972 /nfs/dbraw/zinc/25/49/72/416254972.db2.gz YYCASMQWQCPWDZ-HUUCEWRRSA-N 0 0 322.405 0.519 10 0 DCAERN CN1C(=O)CCc2cc([C@H]3NC(=O)[C@H]4COCCN43)ccc21 ZINC000186884748 416259614 /nfs/dbraw/zinc/25/96/14/416259614.db2.gz RIVKHFZOJUNLDY-HIFRSBDPSA-N 0 0 301.346 0.425 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187192140 416261509 /nfs/dbraw/zinc/26/15/09/416261509.db2.gz UQCUVIXRKDWIBZ-KGLIPLIRSA-N 0 0 321.425 0.524 10 0 DCAERN COCCO[C@H]1CCN(C(=O)CNC(=O)c2ccccc2C)C1 ZINC000189544920 416266216 /nfs/dbraw/zinc/26/62/16/416266216.db2.gz HBRMECKVQCVGPI-AWEZNQCLSA-N 0 0 320.389 0.989 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C)N1C ZINC000358709926 416272902 /nfs/dbraw/zinc/27/29/02/416272902.db2.gz AIEFAWABMPBLFH-XJKCOSOUSA-N 0 0 307.394 0.150 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(CCO)Cc2ccc(C)o2)CC1 ZINC000331156542 416275278 /nfs/dbraw/zinc/27/52/78/416275278.db2.gz JJDJGGGTTWSGME-UHFFFAOYSA-N 0 0 323.393 0.073 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC(C)(C)OC)C1 ZINC000358807431 416277148 /nfs/dbraw/zinc/27/71/48/416277148.db2.gz ZKXSCSDLXWYKDV-QJPTWQEYSA-N 0 0 300.399 0.990 10 0 DCAERN O=S(=O)(CCNCc1cocn1)NC[C@@H]1CCCCO1 ZINC000192311705 416302778 /nfs/dbraw/zinc/30/27/78/416302778.db2.gz FHFUHGARFIIJHR-LBPRGKRZSA-N 0 0 303.384 0.253 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 ZINC000192460581 416305315 /nfs/dbraw/zinc/30/53/15/416305315.db2.gz DQXSEIZSDHHMHO-LLVKDONJSA-N 0 0 324.402 0.586 10 0 DCAERN Cc1cc(NC(=O)C2CCN([C@@H]3CC(=O)N(C)C3=O)CC2)no1 ZINC000192603531 416308248 /nfs/dbraw/zinc/30/82/48/416308248.db2.gz QJWLFVDNVKBSIB-LLVKDONJSA-N 0 0 320.349 0.391 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000193030865 416312425 /nfs/dbraw/zinc/31/24/25/416312425.db2.gz GHNXJBXXRGJSNS-LLVKDONJSA-N 0 0 308.313 0.286 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCCCNC1=O ZINC000193221730 416314326 /nfs/dbraw/zinc/31/43/26/416314326.db2.gz BLAFEJMBTTTWEN-ZDUSSCGKSA-N 0 0 307.398 0.547 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CC(C(=O)NCC)C2)n1 ZINC000193253688 416314871 /nfs/dbraw/zinc/31/48/71/416314871.db2.gz CBVFZQCABMNITM-UHFFFAOYSA-N 0 0 324.406 0.629 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000193368404 416315280 /nfs/dbraw/zinc/31/52/80/416315280.db2.gz NGLZEZOASYGCAD-GFCCVEGCSA-N 0 0 322.340 0.092 10 0 DCAERN CC[C@H]1COCCN1C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359244752 416315544 /nfs/dbraw/zinc/31/55/44/416315544.db2.gz RMYNJEABFYYRJW-ZDUSSCGKSA-N 0 0 321.377 0.386 10 0 DCAERN CC(C)n1nnnc1CSCC(=O)N(C)Cc1cnn(C)c1 ZINC000193679957 416319392 /nfs/dbraw/zinc/31/93/92/416319392.db2.gz GFIKRMHYSOEDTJ-UHFFFAOYSA-N 0 0 323.426 0.879 10 0 DCAERN COC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 ZINC000190426404 416278854 /nfs/dbraw/zinc/27/88/54/416278854.db2.gz ZCZHABDWGRKEPT-WDEREUQCSA-N 0 0 317.345 0.799 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(NC(C)=O)C2)C1 ZINC000190484632 416279804 /nfs/dbraw/zinc/27/98/04/416279804.db2.gz UJTSSXKWPPFTTI-WCQYABFASA-N 0 0 309.410 0.618 10 0 DCAERN COCCCCS(=O)(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194025170 416321878 /nfs/dbraw/zinc/32/18/78/416321878.db2.gz OZOUDACPEJGLRL-OKILXGFUSA-N 0 0 322.471 0.784 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246888163 416332293 /nfs/dbraw/zinc/33/22/93/416332293.db2.gz HAIHWHJAZPYEIS-CHWSQXEVSA-N 0 0 312.414 0.016 10 0 DCAERN CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3O)cc2C1 ZINC000246888626 416332377 /nfs/dbraw/zinc/33/23/77/416332377.db2.gz DYTMYIJJONOUOC-LSDHHAIUSA-N 0 0 317.389 0.990 10 0 DCAERN O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@H](CO)C1CC1 ZINC000359779551 416358263 /nfs/dbraw/zinc/35/82/63/416358263.db2.gz XFHKQNSPQGSCRD-LBPRGKRZSA-N 0 0 320.345 0.280 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248444683 416333337 /nfs/dbraw/zinc/33/33/37/416333337.db2.gz BQFRIPQLFWAXME-WZSZBDMOSA-N 0 0 323.418 0.484 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000248760031 416334023 /nfs/dbraw/zinc/33/40/23/416334023.db2.gz DHKBHFQHWVCLPV-PWSUYJOCSA-N 0 0 314.411 0.364 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H](C)CCS(C)(=O)=O)CC[C@H]1C ZINC000249575951 416334389 /nfs/dbraw/zinc/33/43/89/416334389.db2.gz AEXRPRTWBVXDRA-IJLUTSLNSA-N 0 0 306.428 0.876 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262062148 416336215 /nfs/dbraw/zinc/33/62/15/416336215.db2.gz AXZRSHPYJMHBCD-SNPRPXQTSA-N 0 0 317.389 0.675 10 0 DCAERN CC(C)[C@@H](NC(=O)C1CCC(O)CC1)C(=O)N1CCOCC1 ZINC000194390582 416322803 /nfs/dbraw/zinc/32/28/03/416322803.db2.gz BJCKXZCJPALCJC-JXQTWKCFSA-N 0 0 312.410 0.537 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCc1cccc(O)c1)c2=O ZINC000194467120 416323295 /nfs/dbraw/zinc/32/32/95/416323295.db2.gz LUYXDVZENPCQFX-UHFFFAOYSA-N 0 0 313.317 0.152 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000194629459 416323827 /nfs/dbraw/zinc/32/38/27/416323827.db2.gz IMDXOQPNMBGNDK-LBPRGKRZSA-N 0 0 311.407 0.315 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000194583493 416323837 /nfs/dbraw/zinc/32/38/37/416323837.db2.gz DWZKJIAZDVCOTG-SNVBAGLBSA-N 0 0 304.350 0.722 10 0 DCAERN CCN(CCC(=O)OC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000216459277 416327373 /nfs/dbraw/zinc/32/73/73/416327373.db2.gz YUZYTXAFBOYMGD-QWRGUYRKSA-N 0 0 308.400 0.225 10 0 DCAERN O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1COCCN1 ZINC000237845489 416328859 /nfs/dbraw/zinc/32/88/59/416328859.db2.gz PMYNFUJXFQTSIX-LBPRGKRZSA-N 0 0 323.359 0.755 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)n(C)c1 ZINC000416288286 416363278 /nfs/dbraw/zinc/36/32/78/416363278.db2.gz DAVHAMBWRJQZKF-RYUDHWBXSA-N 0 0 307.394 0.755 10 0 DCAERN C[C@](O)(CNS(=O)(=O)N1CCOCC1)C1CCCCC1 ZINC000360109702 416371032 /nfs/dbraw/zinc/37/10/32/416371032.db2.gz YXJLFWAXYFJYSX-ZDUSSCGKSA-N 0 0 306.428 0.484 10 0 DCAERN COC(=O)c1cncc(N2CCN(Cc3nc(C)no3)CC2)n1 ZINC000360145272 416374484 /nfs/dbraw/zinc/37/44/84/416374484.db2.gz USKSUFNFUOFBNR-UHFFFAOYSA-N 0 0 318.337 0.277 10 0 DCAERN COC[C@H](C)[C@H](C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000360317989 416385585 /nfs/dbraw/zinc/38/55/85/416385585.db2.gz RYPFOYYNIAGTJS-OBJOEFQTSA-N 0 0 312.410 0.801 10 0 DCAERN COC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000360317993 416385839 /nfs/dbraw/zinc/38/58/39/416385839.db2.gz RYPFOYYNIAGTJS-SCRDCRAPSA-N 0 0 312.410 0.801 10 0 DCAERN C[C@@H](NC(=O)NCC[C@H]1COc2ccccc2O1)C(=O)N(C)C ZINC000360382590 416387749 /nfs/dbraw/zinc/38/77/49/416387749.db2.gz CSQHAWIFNLJNHL-NEPJUHHUSA-N 0 0 321.377 0.992 10 0 DCAERN CN1CN(C(=O)NCCCn2cnc3ccccc32)CC1=O ZINC000360431909 416389735 /nfs/dbraw/zinc/38/97/35/416389735.db2.gz WMMYDKNVRRNUEY-UHFFFAOYSA-N 0 0 301.350 0.868 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccnnc2)c1 ZINC000360647105 416401106 /nfs/dbraw/zinc/40/11/06/416401106.db2.gz FCRGZQGMQHBYBH-UHFFFAOYSA-N 0 0 320.374 0.657 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@](C)(OC)C2CC2)CC1 ZINC000360649787 416401276 /nfs/dbraw/zinc/40/12/76/416401276.db2.gz BFHUGBITJZQYII-INIZCTEOSA-N 0 0 312.410 0.897 10 0 DCAERN CCCOCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360806060 416411446 /nfs/dbraw/zinc/41/14/46/416411446.db2.gz LQPDLVDJZDUEQN-GFCCVEGCSA-N 0 0 318.439 0.733 10 0 DCAERN COC1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCC1 ZINC000583340612 416462403 /nfs/dbraw/zinc/46/24/03/416462403.db2.gz JCEBFPWHJNYKQJ-UHFFFAOYSA-N 0 0 302.334 0.958 10 0 DCAERN CN1CCO[C@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878311 416463677 /nfs/dbraw/zinc/46/36/77/416463677.db2.gz BHCLOBJVBHGQPC-CABCVRRESA-N 0 0 315.373 0.297 10 0 DCAERN C=Cc1ccc(CCNC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000361631231 416466081 /nfs/dbraw/zinc/46/60/81/416466081.db2.gz JKXMOKNYNSGAAA-NSHDSACASA-N 0 0 311.407 0.848 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)[C@@H](C)OC ZINC000583538210 416470945 /nfs/dbraw/zinc/47/09/45/416470945.db2.gz DSBFLUDYTLOIHP-GMTAPVOTSA-N 0 0 307.416 0.133 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583616433 416477798 /nfs/dbraw/zinc/47/77/98/416477798.db2.gz RDHCUQMKQDRSIP-GFCCVEGCSA-N 0 0 302.400 0.464 10 0 DCAERN Cc1cccc(C)c1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458547011 416478434 /nfs/dbraw/zinc/47/84/34/416478434.db2.gz HVZOJNKNUKMQNG-AWEZNQCLSA-N 0 0 317.393 0.798 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618851 416478891 /nfs/dbraw/zinc/47/88/91/416478891.db2.gz SJANNMCSLDKBET-ZDUSSCGKSA-N 0 0 324.772 0.488 10 0 DCAERN C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000583622064 416479655 /nfs/dbraw/zinc/47/96/55/416479655.db2.gz JCIRVFHLRPYABG-IJLUTSLNSA-N 0 0 306.366 0.280 10 0 DCAERN COc1cc(C)cc(CNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458567114 416480434 /nfs/dbraw/zinc/48/04/34/416480434.db2.gz IQTWWXQZWXOHJY-CYBMUJFWSA-N 0 0 319.365 0.455 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)[C@@]12CCC(=O)N1CCS2 ZINC000533186675 416481404 /nfs/dbraw/zinc/48/14/04/416481404.db2.gz KCWRJVVASVUMDU-BBRMVZONSA-N 0 0 320.414 0.944 10 0 DCAERN CS[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C(C)(C)C ZINC000458631773 416485900 /nfs/dbraw/zinc/48/59/00/416485900.db2.gz AYNFYXUYYJVPDT-MNOVXSKESA-N 0 0 315.443 0.716 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434590175 416486438 /nfs/dbraw/zinc/48/64/38/416486438.db2.gz WQWMWWFEPRSBTI-UHFFFAOYSA-N 0 0 309.366 1.286 10 0 DCAERN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cccc2ncnn21 ZINC000360994215 416418797 /nfs/dbraw/zinc/41/87/97/416418797.db2.gz CCRLHTPALHZAOG-UHFFFAOYSA-N 0 0 311.227 0.796 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000361104646 416421442 /nfs/dbraw/zinc/42/14/42/416421442.db2.gz QYUISSBAXOLLCA-SCRDCRAPSA-N 0 0 314.407 0.362 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)OCC ZINC000361551144 416446721 /nfs/dbraw/zinc/44/67/21/416446721.db2.gz OMVMYGZVRGUGOY-RKWPFYGESA-N 0 0 311.426 0.636 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCN(C(=O)C3CC3)CC2)[nH]n1 ZINC000532652249 416447564 /nfs/dbraw/zinc/44/75/64/416447564.db2.gz AKSUWZXCOSTNGQ-NSHDSACASA-N 0 0 319.409 0.913 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CC(n2ccnn2)C1 ZINC000361921002 416523552 /nfs/dbraw/zinc/52/35/52/416523552.db2.gz GNNXBVAQMLEIJJ-QMMMGPOBSA-N 0 0 317.271 0.072 10 0 DCAERN CCc1[nH]c(C(=O)N2CC(n3ccnn3)C2)c(C)c1C(=O)OC ZINC000361920617 416524011 /nfs/dbraw/zinc/52/40/11/416524011.db2.gz AWANRRKRFIJLMO-UHFFFAOYSA-N 0 0 317.349 0.961 10 0 DCAERN Cn1cnn(CC(=O)Nc2cccc(N3CCOCC3)c2)c1=O ZINC000536107582 416536851 /nfs/dbraw/zinc/53/68/51/416536851.db2.gz VCZBAEHUIZLRDQ-UHFFFAOYSA-N 0 0 317.349 0.057 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361989205 416539687 /nfs/dbraw/zinc/53/96/87/416539687.db2.gz XDBSDFRYCGLPPS-MRXNPFEDSA-N 0 0 322.405 0.919 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000361987626 416540355 /nfs/dbraw/zinc/54/03/55/416540355.db2.gz UBKGXFRKVSNERR-AAEUAGOBSA-N 0 0 307.350 0.350 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000536480220 416541389 /nfs/dbraw/zinc/54/13/89/416541389.db2.gz GNSHSUCNALPWGZ-NSHDSACASA-N 0 0 315.337 0.542 10 0 DCAERN COC(=O)c1cncc(C(=O)NCc2nnc3ccccn32)c1 ZINC000536559438 416543603 /nfs/dbraw/zinc/54/36/03/416543603.db2.gz MTMZIHHUKCUDFN-UHFFFAOYSA-N 0 0 311.301 0.841 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](Oc2cnn(Cc3ccccc3)c2)C1 ZINC000536954841 416549863 /nfs/dbraw/zinc/54/98/63/416549863.db2.gz MQWWTKOTVRSWRF-ZIAGYGMSSA-N 0 0 308.359 0.468 10 0 DCAERN NC(=O)CCCCNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000536806654 416550987 /nfs/dbraw/zinc/55/09/87/416550987.db2.gz ONSYZKBSUSEAEJ-UHFFFAOYSA-N 0 0 301.350 0.717 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CCCN1C(C)=O ZINC000361777007 416494182 /nfs/dbraw/zinc/49/41/82/416494182.db2.gz QSCPVHUIUDYPLA-NEPJUHHUSA-N 0 0 313.423 0.377 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@H]2O)C1=O ZINC000361781189 416497129 /nfs/dbraw/zinc/49/71/29/416497129.db2.gz MXXQADWDEDBKGB-FIXISWKDSA-N 0 0 309.366 0.127 10 0 DCAERN Cc1noc(CN2CCN([C@@H](C)c3nnnn3C3CC3)CC2)n1 ZINC000361836030 416506572 /nfs/dbraw/zinc/50/65/72/416506572.db2.gz CTYLDIGQJVCFBJ-JTQLQIEISA-N 0 0 318.385 0.578 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NCCCN1C(=O)CNC1=O ZINC000435186050 416511901 /nfs/dbraw/zinc/51/19/01/416511901.db2.gz KPSNTLUAXLFQNF-UHFFFAOYSA-N 0 0 322.369 0.607 10 0 DCAERN Cc1cc(C(=O)NC2(C(N)=O)CC2)nn1-c1nc(C)cc(C)n1 ZINC000535010002 416512302 /nfs/dbraw/zinc/51/23/02/416512302.db2.gz KKZPRSPJYNXXLV-UHFFFAOYSA-N 0 0 314.349 0.335 10 0 DCAERN CSC1(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000435307344 416517970 /nfs/dbraw/zinc/51/79/70/416517970.db2.gz AAWLGHOCRJIWJC-UHFFFAOYSA-N 0 0 311.411 0.983 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000585391251 416520252 /nfs/dbraw/zinc/52/02/52/416520252.db2.gz ILZSAMRSEOEQGK-LBPRGKRZSA-N 0 0 304.346 0.801 10 0 DCAERN Cc1cc(C(=O)Nc2ccn(CCN3CCOCC3)n2)c(C)[nH]1 ZINC000596041563 416576353 /nfs/dbraw/zinc/57/63/53/416576353.db2.gz OBPFOGFNIFLSDW-UHFFFAOYSA-N 0 0 317.393 1.413 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000364298816 416584507 /nfs/dbraw/zinc/58/45/07/416584507.db2.gz ZNQBALBQJSTDMW-ZYHUDNBSSA-N 0 0 306.366 0.382 10 0 DCAERN CC(=O)N1CCC(C(=O)NC2(CO)Cc3ccccc3C2)CC1 ZINC000437930865 416590853 /nfs/dbraw/zinc/59/08/53/416590853.db2.gz KQUQILBSKSWLRU-UHFFFAOYSA-N 0 0 316.401 0.891 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@@H]2CCn3ccnc3C2)n1 ZINC000547667469 416681813 /nfs/dbraw/zinc/68/18/13/416681813.db2.gz DRWIMPXMRDEAPC-SNVBAGLBSA-N 0 0 303.370 1.366 10 0 DCAERN COCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000366084366 416617485 /nfs/dbraw/zinc/61/74/85/416617485.db2.gz MAIFAXLVCYKPLH-MRXNPFEDSA-N 0 0 323.393 0.784 10 0 DCAERN NC(=O)c1cccc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)n1 ZINC000541926184 416618488 /nfs/dbraw/zinc/61/84/88/416618488.db2.gz ZPYQYLKOCKWDMM-UHFFFAOYSA-N 0 0 323.316 0.537 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@@H]1CCSC1 ZINC000440025137 416625502 /nfs/dbraw/zinc/62/55/02/416625502.db2.gz GFJHJPJUUFYRLX-LLVKDONJSA-N 0 0 319.386 0.984 10 0 DCAERN Cn1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(C(F)F)n1 ZINC000542673902 416627105 /nfs/dbraw/zinc/62/71/05/416627105.db2.gz LYLULBBTLHRGPX-VIFPVBQESA-N 0 0 300.309 0.514 10 0 DCAERN COc1cc(C)nc(NCCCN2CCCS2(=O)=O)n1 ZINC000605147168 416640521 /nfs/dbraw/zinc/64/05/21/416640521.db2.gz FLWMLBLZXMLMNA-UHFFFAOYSA-N 0 0 300.384 0.631 10 0 DCAERN COc1ccnc(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000604743078 416640579 /nfs/dbraw/zinc/64/05/79/416640579.db2.gz PFXIMLDMOGVKGJ-UHFFFAOYSA-N 0 0 313.379 0.246 10 0 DCAERN C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544210300 416653542 /nfs/dbraw/zinc/65/35/42/416653542.db2.gz AORMIBDWMVFEAS-GHMZBOCLSA-N 0 0 323.397 0.591 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC(=O)N1C ZINC000368521610 416664503 /nfs/dbraw/zinc/66/45/03/416664503.db2.gz HEKLVUJKSYMAPA-QWHCGFSZSA-N 0 0 317.393 0.532 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCC2CCN(C(C)=O)CC2)C1 ZINC000368539587 416666883 /nfs/dbraw/zinc/66/68/83/416666883.db2.gz RBPXLQYUCQHZIV-INIZCTEOSA-N 0 0 309.410 0.620 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCC(=O)N(C)C2)n1 ZINC000441456645 416671544 /nfs/dbraw/zinc/67/15/44/416671544.db2.gz JJZXRBCEBSMYDY-LBPRGKRZSA-N 0 0 306.366 0.553 10 0 DCAERN c1cn2nc(N[C@H]3CCN(Cc4csnn4)C3)ccc2n1 ZINC000548022435 416685020 /nfs/dbraw/zinc/68/50/20/416685020.db2.gz PLQHURSXAFUEHG-JTQLQIEISA-N 0 0 301.379 1.267 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000557610597 416743593 /nfs/dbraw/zinc/74/35/93/416743593.db2.gz RLVNCZRUIPJFEU-SOUVJXGZSA-N 0 0 314.426 0.486 10 0 DCAERN O=S(=O)(Cc1cccc(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000368708038 416686274 /nfs/dbraw/zinc/68/62/74/416686274.db2.gz VEAQHZLBZVOQAX-AWEZNQCLSA-N 0 0 314.382 0.672 10 0 DCAERN CN(C(=O)C(=O)Nc1cccc2c1OCCC2)[C@H]1CCNC1=O ZINC000442275017 416690853 /nfs/dbraw/zinc/69/08/53/416690853.db2.gz XDVUYJOPIBZSTH-LBPRGKRZSA-N 0 0 317.345 0.297 10 0 DCAERN Cn1cc(OCC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1 ZINC000548884304 416693450 /nfs/dbraw/zinc/69/34/50/416693450.db2.gz SLFMZDFXGVOULY-JTQLQIEISA-N 0 0 305.338 1.055 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Nc2ccnc(OC)n2)no1 ZINC000549253714 416693712 /nfs/dbraw/zinc/69/37/12/416693712.db2.gz ZRXAUJAYUGHCIZ-UHFFFAOYSA-N 0 0 306.326 1.487 10 0 DCAERN COC(=O)c1ccccc1OCCN1CCN2CCOC[C@H]2C1 ZINC000368815631 416696195 /nfs/dbraw/zinc/69/61/95/416696195.db2.gz FLZZOHZQFVPGOS-CQSZACIVSA-N 0 0 320.389 0.868 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@H](c2ccnc(N)n2)C1)C(C)C ZINC000551978306 416696692 /nfs/dbraw/zinc/69/66/92/416696692.db2.gz HMWSFGQHJYFLCM-GXTWGEPZSA-N 0 0 319.409 0.926 10 0 DCAERN C[C@@H](O)CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@H](C)CO ZINC000442703763 416706982 /nfs/dbraw/zinc/70/69/82/416706982.db2.gz JRRWWEQMFYUXQW-GHMZBOCLSA-N 0 0 311.382 0.411 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000556896621 416719854 /nfs/dbraw/zinc/71/98/54/416719854.db2.gz JOTCYISNDFBVNW-UHFFFAOYSA-N 0 0 315.337 0.226 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2ccc3c(N)ncnc3c2)C1 ZINC000614931594 416725740 /nfs/dbraw/zinc/72/57/40/416725740.db2.gz YGRKMGRXMLSIHY-LLVKDONJSA-N 0 0 313.361 0.810 10 0 DCAERN CCc1nc(C(C)(C)NS(=O)(=O)C[C@@H](C)C(=O)OC)no1 ZINC000443152383 416734627 /nfs/dbraw/zinc/73/46/27/416734627.db2.gz BHNMCOGZJWVVSY-MRVPVSSYSA-N 0 0 319.383 0.596 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC(CN3CCOCC3)C2)C1 ZINC000615144764 416772311 /nfs/dbraw/zinc/77/23/11/416772311.db2.gz CXGXTZOOIYVFGS-INIZCTEOSA-N 0 0 309.410 0.036 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000369977285 416860457 /nfs/dbraw/zinc/86/04/57/416860457.db2.gz NHRLUNHROQJKJG-INIZCTEOSA-N 0 0 317.393 0.384 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN2C[C@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446071092 416912070 /nfs/dbraw/zinc/91/20/70/416912070.db2.gz OJLNCAJVHJZTBD-RWMBFGLXSA-N 0 0 311.426 0.611 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ncn(C)n1 ZINC000446345726 416924825 /nfs/dbraw/zinc/92/48/25/416924825.db2.gz DVJFGPOJSSBKKW-NSHDSACASA-N 0 0 301.350 0.292 10 0 DCAERN CN(C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)[C@H]1CCNC1=O ZINC000446526868 416932218 /nfs/dbraw/zinc/93/22/18/416932218.db2.gz BGBNSQRPLVJWOF-DTWKUNHWSA-N 0 0 319.287 0.553 10 0 DCAERN CN(C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)[C@H]1CCNC1=O ZINC000446526869 416932952 /nfs/dbraw/zinc/93/29/52/416932952.db2.gz BGBNSQRPLVJWOF-IUCAKERBSA-N 0 0 319.287 0.553 10 0 DCAERN COc1ccc(CNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000446739340 416945157 /nfs/dbraw/zinc/94/51/57/416945157.db2.gz SZACZDNDFSUIQV-MRXNPFEDSA-N 0 0 318.377 0.902 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000373175013 416948412 /nfs/dbraw/zinc/94/84/12/416948412.db2.gz YDMXTDHAARGTIE-LBPRGKRZSA-N 0 0 320.393 1.574 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)CCOC(C)(C)C ZINC000632200237 416954799 /nfs/dbraw/zinc/95/47/99/416954799.db2.gz BNZDGPYKELXVLS-GFCCVEGCSA-N 0 0 307.412 0.811 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)nc2)n1 ZINC000447757791 417026210 /nfs/dbraw/zinc/02/62/10/417026210.db2.gz JRTSTXJZIRKKTA-ZYHUDNBSSA-N 0 0 324.362 0.578 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2ncccc21 ZINC000447127493 416967257 /nfs/dbraw/zinc/96/72/57/416967257.db2.gz DJBBBVXQKMANDH-NXEZZACHSA-N 0 0 317.349 0.893 10 0 DCAERN CN(C)c1ccc(NC(=O)[C@](C)(O)Cn2ccccc2=O)cn1 ZINC000447464541 416999221 /nfs/dbraw/zinc/99/92/21/416999221.db2.gz VQLCZRDZXGLJLZ-MRXNPFEDSA-N 0 0 316.361 0.699 10 0 DCAERN CC1(c2cc(NC(=O)N3CCO[C@H](C(N)=O)C3)no2)CCCC1 ZINC000565694585 417006411 /nfs/dbraw/zinc/00/64/11/417006411.db2.gz WVPKDEXBPMVHAF-JTQLQIEISA-N 0 0 322.365 1.224 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N2CCn3nnc(CO)c3C2)cc1 ZINC000632350955 417039172 /nfs/dbraw/zinc/03/91/72/417039172.db2.gz IEYWTGHUDAXSBV-UHFFFAOYSA-N 0 0 320.374 0.618 10 0 DCAERN Brc1cnc(N2CCN(c3nccnn3)CC2)nc1 ZINC000624443562 417040161 /nfs/dbraw/zinc/04/01/61/417040161.db2.gz IOQAFVQELIQWAD-UHFFFAOYSA-N 0 0 322.170 0.751 10 0 DCAERN O=C(c1cscn1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000566577377 417052575 /nfs/dbraw/zinc/05/25/75/417052575.db2.gz HEQYGUJOZZVTHY-SNVBAGLBSA-N 0 0 314.374 1.512 10 0 DCAERN Nc1n[nH]cc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1 ZINC000616602733 417084659 /nfs/dbraw/zinc/08/46/59/417084659.db2.gz MWGLGZSRXBGNLF-GFCCVEGCSA-N 0 0 307.379 0.327 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2c[nH]nc2N)C1 ZINC000616633880 417088533 /nfs/dbraw/zinc/08/85/33/417088533.db2.gz FXDZGPHLYKEZKQ-NSHDSACASA-N 0 0 310.402 0.463 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cn2cccnc2n1 ZINC000523657400 417088856 /nfs/dbraw/zinc/08/88/56/417088856.db2.gz DZWGTZGPOCEYQF-JTQLQIEISA-N 0 0 310.379 0.625 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616653503 417089703 /nfs/dbraw/zinc/08/97/03/417089703.db2.gz XWYCHLZJLXFJST-LBPRGKRZSA-N 0 0 308.363 0.597 10 0 DCAERN CS(=O)(=O)[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616662652 417090671 /nfs/dbraw/zinc/09/06/71/417090671.db2.gz CRMVMPJVAJMTJK-LBPRGKRZSA-N 0 0 319.404 0.121 10 0 DCAERN CCOC(=O)c1ccc([C@H]2CN(S(N)(=O)=O)CCN2)cc1 ZINC000616655199 417090778 /nfs/dbraw/zinc/09/07/78/417090778.db2.gz WWGPGANEUWRZRW-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616666697 417092942 /nfs/dbraw/zinc/09/29/42/417092942.db2.gz RREMAXNZTIRJDU-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)NCC[C@@]1(O)CCOC1 ZINC000404200669 417118534 /nfs/dbraw/zinc/11/85/34/417118534.db2.gz MABUAIVGQZDVKW-CYBMUJFWSA-N 0 0 303.355 0.787 10 0 DCAERN Cn1cnc(CNC(=O)c2nscc2Br)n1 ZINC000404797119 417120206 /nfs/dbraw/zinc/12/02/06/417120206.db2.gz RPMJFUWGXHQNNP-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN CC1CCC(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000407399665 417128553 /nfs/dbraw/zinc/12/85/53/417128553.db2.gz RQLXNGLBOZZEBK-HTAVTVPLSA-N 0 0 324.468 0.648 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000407989331 417132975 /nfs/dbraw/zinc/13/29/75/417132975.db2.gz JFOWGYDMTPCCEP-UONOGXRCSA-N 0 0 311.426 0.160 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408036852 417133785 /nfs/dbraw/zinc/13/37/85/417133785.db2.gz WKAQQFLOWFKCRC-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccn(C(C)(C)C)n2)CCS1 ZINC000408268142 417152359 /nfs/dbraw/zinc/15/23/59/417152359.db2.gz JYZKULTXAHDVMU-JTQLQIEISA-N 0 0 310.423 1.541 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@@H](C)O1 ZINC000408303267 417152835 /nfs/dbraw/zinc/15/28/35/417152835.db2.gz NLVOJKCDZFHTQY-USWWRNFRSA-N 0 0 302.396 0.170 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1N1CC[C@@H](C)[C@H](O)C1 ZINC000408394525 417159496 /nfs/dbraw/zinc/15/94/96/417159496.db2.gz KVUVTIHVCVHMQM-VXGBXAGGSA-N 0 0 313.423 0.975 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)C(=O)Nc2nccc(N(C)C)n2)C1 ZINC000432400603 417175473 /nfs/dbraw/zinc/17/54/73/417175473.db2.gz KASVZGDMNDGQEX-GFCCVEGCSA-N 0 0 320.397 0.875 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CCSC3)CC2)n1 ZINC000526923434 417188797 /nfs/dbraw/zinc/18/87/97/417188797.db2.gz QSERXNNQJHIOAS-NSHDSACASA-N 0 0 311.411 0.711 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](Cn2ccnn2)C1)C1CCCC1 ZINC000617265910 417191862 /nfs/dbraw/zinc/19/18/62/417191862.db2.gz IKMLIGDUJRODEX-HIFRSBDPSA-N 0 0 319.409 0.822 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1cncnc1N ZINC000408473994 417164412 /nfs/dbraw/zinc/16/44/12/417164412.db2.gz XKJWDNQYJUGMAN-DGCLKSJQSA-N 0 0 312.377 0.843 10 0 DCAERN CC(=O)c1cn(CC(=O)NCCc2noc3ccccc32)nn1 ZINC000617092777 417164441 /nfs/dbraw/zinc/16/44/41/417164441.db2.gz YFWKNHVYUKNBEB-UHFFFAOYSA-N 0 0 313.317 0.981 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000450798823 417268404 /nfs/dbraw/zinc/26/84/04/417268404.db2.gz SADRCHKUTZMJOL-ZDUSSCGKSA-N 0 0 306.410 0.986 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC000450784796 417270508 /nfs/dbraw/zinc/27/05/08/417270508.db2.gz LCPMQHCDNJHOLQ-UHFFFAOYSA-N 0 0 320.393 0.539 10 0 DCAERN Cn1nnnc1SCCC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000527499555 417246150 /nfs/dbraw/zinc/24/61/50/417246150.db2.gz KKDRFIIQWJSUBJ-SECBINFHSA-N 0 0 323.382 0.906 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cc(=O)c(OC)co2)CC12COC2 ZINC000451127350 417302104 /nfs/dbraw/zinc/30/21/04/417302104.db2.gz AHHSVGGEZAKYNG-LBPRGKRZSA-N 0 0 323.345 0.660 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000451238946 417320278 /nfs/dbraw/zinc/32/02/78/417320278.db2.gz AGMDLBQHSXUCFY-WJTVCTBASA-N 0 0 310.394 0.995 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@@H](C)[C@H](C)OC)c1 ZINC000570235384 417330208 /nfs/dbraw/zinc/33/02/08/417330208.db2.gz BMWYBIMVNSBIHJ-IUCAKERBSA-N 0 0 302.352 0.570 10 0 DCAERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CCn1c(C)csc1=O ZINC000643879722 417408997 /nfs/dbraw/zinc/40/89/97/417408997.db2.gz YZDAUZCKYQQIHT-ZDUSSCGKSA-N 0 0 300.380 0.784 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCn1cnccc1=O)C1CCCC1 ZINC000633560375 417452581 /nfs/dbraw/zinc/45/25/81/417452581.db2.gz UZMVVSFNHQFYCI-CQSZACIVSA-N 0 0 306.366 0.054 10 0 DCAERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529988421 417533507 /nfs/dbraw/zinc/53/35/07/417533507.db2.gz SYPKEIBZMXREBD-LITAXDCLSA-N 0 0 318.420 0.937 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC000633877190 417504889 /nfs/dbraw/zinc/50/48/89/417504889.db2.gz VIWVSXCDOVAZGU-GASCZTMLSA-N 0 0 303.318 0.342 10 0 DCAERN COCCc1ccc(OC[C@H](O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)cc1 ZINC000453018869 417518324 /nfs/dbraw/zinc/51/83/24/417518324.db2.gz UXDXWTHDMAUNNK-YUELXQCFSA-N 0 0 319.357 0.620 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000439217663 287384115 /nfs/dbraw/zinc/38/41/15/287384115.db2.gz WTZMVZNPHWXJOH-NSHDSACASA-N 0 0 320.411 0.260 10 0 DCAERN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC2CC2)cn1 ZINC000530485097 417579702 /nfs/dbraw/zinc/57/97/02/417579702.db2.gz WNJHZIVEMIXYJA-UHFFFAOYSA-N 0 0 318.420 0.954 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(CCO)CCOCCO)cc1 ZINC000628175799 417584778 /nfs/dbraw/zinc/58/47/78/417584778.db2.gz KJNWDMUZCJBSOH-UHFFFAOYSA-N 0 0 324.377 0.113 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@@H](C)OC)CC12COC2 ZINC000454967762 417587583 /nfs/dbraw/zinc/58/75/83/417587583.db2.gz KLVRFMZOAIHNTQ-UTUOFQBUSA-N 0 0 314.382 0.631 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)c1cncc(F)c1)N(C)C2 ZINC000644409618 417569132 /nfs/dbraw/zinc/56/91/32/417569132.db2.gz KXJSIGVFDGNHGU-RNCFNFMXSA-N 0 0 318.356 0.812 10 0 DCAERN COCCOCCOCCN(C)C(=O)c1cn2cccnc2n1 ZINC000530351326 417570332 /nfs/dbraw/zinc/57/03/32/417570332.db2.gz VQRXZUDPUHCPAO-UHFFFAOYSA-N 0 0 322.365 0.481 10 0 DCAERN CO[C@@]1(C(=O)NCc2n[nH]cc2Br)CCOC1 ZINC000530459166 417575866 /nfs/dbraw/zinc/57/58/66/417575866.db2.gz IGMOFDIVZWERIC-JTQLQIEISA-N 0 0 304.144 0.594 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](C)SC)CC12COC2 ZINC000454703725 417577057 /nfs/dbraw/zinc/57/70/57/417577057.db2.gz AECXUZDOXSAYNP-GHMZBOCLSA-N 0 0 316.423 0.959 10 0 DCAERN C[C@H]1CN(Cc2cccc3c2OCCCO3)C[C@@H](C(N)=O)O1 ZINC000628419873 417618460 /nfs/dbraw/zinc/61/84/60/417618460.db2.gz GAZWUDJDEBXMJQ-FZMZJTMJSA-N 0 0 306.362 0.923 10 0 DCAERN COC(=O)c1cc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c[nH]1 ZINC000456207710 417635306 /nfs/dbraw/zinc/63/53/06/417635306.db2.gz SUJIVQTVYSOXCR-TXEJJXNPSA-N 0 0 307.350 0.394 10 0 DCAERN COCC1(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000577159889 417668218 /nfs/dbraw/zinc/66/82/18/417668218.db2.gz IUBJVAQXRVVYPU-LLVKDONJSA-N 0 0 306.366 0.458 10 0 DCAERN COc1cccc(CCC(=O)N(C)Cc2nnnn2C)c1OC ZINC000532322466 417672539 /nfs/dbraw/zinc/67/25/39/417672539.db2.gz XUDZHQDRWNSVDK-UHFFFAOYSA-N 0 0 319.365 0.819 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ncccc1Br ZINC000629246131 417767158 /nfs/dbraw/zinc/76/71/58/417767158.db2.gz WXVXMCXVYJZWIG-BDAKNGLRSA-N 0 0 301.140 0.724 10 0 DCAERN CCNC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000457291195 417703020 /nfs/dbraw/zinc/70/30/20/417703020.db2.gz KCSKSBVIYBNXKF-LLVKDONJSA-N 0 0 305.378 0.836 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)CN(C)C(C)=O)(C(=O)OC)C1(C)C ZINC000440871517 287410904 /nfs/dbraw/zinc/41/09/04/287410904.db2.gz WCVMWYHCFFUMHN-NHYWBVRUSA-N 0 0 314.382 0.328 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)c1ncsc1Br ZINC000580658288 417721244 /nfs/dbraw/zinc/72/12/44/417721244.db2.gz KBNIVNYJLZXXJV-RXMQYKEDSA-N 0 0 304.169 0.996 10 0 DCAERN Cc1cccc(CSCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458122947 417723019 /nfs/dbraw/zinc/72/30/19/417723019.db2.gz HRZXXKNBRPLARX-AWEZNQCLSA-N 0 0 320.418 0.997 10 0 DCAERN COc1ccc(Cl)cc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458137735 417725259 /nfs/dbraw/zinc/72/52/59/417725259.db2.gz ZFSMXXRYSXPALC-SNVBAGLBSA-N 0 0 310.741 0.731 10 0 DCAERN CCSc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccn1 ZINC000458146470 417725337 /nfs/dbraw/zinc/72/53/37/417725337.db2.gz RPWQODVJEFLMTE-LLVKDONJSA-N 0 0 307.379 0.576 10 0 DCAERN Cc1cc(F)c(CC(=O)NC[C@@H](O)Cn2ccnn2)cc1F ZINC000458148865 417725951 /nfs/dbraw/zinc/72/59/51/417725951.db2.gz ULONQDPKELPFCA-LLVKDONJSA-N 0 0 310.304 0.585 10 0 DCAERN CC(C)Oc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cn1 ZINC000458154999 417727190 /nfs/dbraw/zinc/72/71/90/417727190.db2.gz ZVPYIELCEDMDMC-LBPRGKRZSA-N 0 0 305.338 0.251 10 0 DCAERN CC(=O)c1cccc(NC(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000631472489 417887003 /nfs/dbraw/zinc/88/70/03/417887003.db2.gz PDUZQIMTYHPYFK-OAHLLOKOSA-N 0 0 321.377 0.704 10 0 DCAERN CC[C@@H](NC(=O)NCCc1cn2ccccc2n1)C(=O)NC ZINC000454239457 287492820 /nfs/dbraw/zinc/49/28/20/287492820.db2.gz JSLPRBWATHXCJO-GFCCVEGCSA-N 0 0 303.366 0.701 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C12CCC2 ZINC000458205275 287499666 /nfs/dbraw/zinc/49/96/66/287499666.db2.gz XEHUWLAZDQWKJW-ZENOOKHLSA-N 0 0 320.389 0.673 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)[nH]c(=O)c1 ZINC000488156689 287546877 /nfs/dbraw/zinc/54/68/77/287546877.db2.gz BIOOXLLDVUBZIE-NXEZZACHSA-N 0 0 323.349 0.282 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)NCc1nnn(C)n1 ZINC000494686098 287579189 /nfs/dbraw/zinc/57/91/89/287579189.db2.gz PNIAHEVNNIBGAW-UHFFFAOYSA-N 0 0 310.745 0.872 10 0 DCAERN COCCc1nsc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000301495945 229700441 /nfs/dbraw/zinc/70/04/41/229700441.db2.gz BRVMLXUKPRDCND-UHFFFAOYSA-N 0 0 322.438 0.783 10 0 DCAERN Cc1cnn(C[C@@H]2CN(c3ccncc3C(N)=O)CCO2)c1 ZINC000302010619 230033823 /nfs/dbraw/zinc/03/38/23/230033823.db2.gz CFEXAJOFAUHRLV-LBPRGKRZSA-N 0 0 301.350 0.591 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC[C@H](Cn3cncn3)C2)n1 ZINC000106174195 261107999 /nfs/dbraw/zinc/10/79/99/261107999.db2.gz HQETURCUXRSSDM-NSHDSACASA-N 0 0 317.401 0.024 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(C)C ZINC000179706469 261113597 /nfs/dbraw/zinc/11/35/97/261113597.db2.gz YQJPXGVZSBTNAG-JTQLQIEISA-N 0 0 318.420 0.652 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)NC/C=C/c2ccccc2)C1 ZINC000186672854 261120916 /nfs/dbraw/zinc/12/09/16/261120916.db2.gz VECRRHDMIRHOJK-VMPITWQZSA-N 0 0 323.418 0.890 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1cc(C(N)=O)co1 ZINC000186684621 261121114 /nfs/dbraw/zinc/12/11/14/261121114.db2.gz CBDHOGQPGXCXGC-GFCCVEGCSA-N 0 0 324.381 0.873 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCN(C)C(=O)[C@H]2C)n1 ZINC000186514096 261121536 /nfs/dbraw/zinc/12/15/36/261121536.db2.gz DOXOOIYFTVKUDO-LLVKDONJSA-N 0 0 323.397 0.998 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)NCc1cc(C(N)=O)co1 ZINC000186613391 261121548 /nfs/dbraw/zinc/12/15/48/261121548.db2.gz DXSCVZJFUSTWNJ-QMMMGPOBSA-N 0 0 321.358 0.875 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187380299 261123952 /nfs/dbraw/zinc/12/39/52/261123952.db2.gz XZWQAJUURLDBEG-ZDUSSCGKSA-N 0 0 321.425 0.842 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1cn2ccnc2s1 ZINC000188628264 261129512 /nfs/dbraw/zinc/12/95/12/261129512.db2.gz DUQFXLBMCSSXIQ-UHFFFAOYSA-N 0 0 310.379 0.573 10 0 DCAERN CCc1noc([C@@H](C)N2CCN([C@@H](C)c3nnnn3C)CC2)n1 ZINC000189190164 261130247 /nfs/dbraw/zinc/13/02/47/261130247.db2.gz UDPBYXMGBVPLBH-WDEREUQCSA-N 0 0 320.401 0.595 10 0 DCAERN COc1cc(N2CCN(Cc3nc(N(C)C)no3)CC2)ncn1 ZINC000192802630 261139743 /nfs/dbraw/zinc/13/97/43/261139743.db2.gz XQQVYOGVUZIFDM-UHFFFAOYSA-N 0 0 319.369 0.256 10 0 DCAERN Cc1cc(N2CCN(Cc3ccnc(N)c3)CC2)n2ncnc2n1 ZINC000193335047 261141616 /nfs/dbraw/zinc/14/16/16/261141616.db2.gz RBMGQFXIGGDMRL-UHFFFAOYSA-N 0 0 324.392 0.732 10 0 DCAERN Cc1ccc(NC(=O)CNC(=O)[C@@H]2CNC(=O)C2)c(Cl)c1 ZINC000194834650 261148984 /nfs/dbraw/zinc/14/89/84/261148984.db2.gz XNUROICYJICHPL-VIFPVBQESA-N 0 0 309.753 0.839 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)s1 ZINC000194876709 261149607 /nfs/dbraw/zinc/14/96/07/261149607.db2.gz IMWJMMUXQHVPNY-NSHDSACASA-N 0 0 321.402 0.477 10 0 DCAERN CCn1ccnc1CS(=O)(=O)c1nc2nc(C)cc(C)n2n1 ZINC000195089247 261150421 /nfs/dbraw/zinc/15/04/21/261150421.db2.gz NAYMFRAJUPZVBY-UHFFFAOYSA-N 0 0 320.378 0.931 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCN2CCC(O)CC2)C1 ZINC000321408138 261178084 /nfs/dbraw/zinc/17/80/84/261178084.db2.gz GSDVOKVNPCPFJL-LBPRGKRZSA-N 0 0 305.444 0.009 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000354218275 261191916 /nfs/dbraw/zinc/19/19/16/261191916.db2.gz TZTRVVUMKMFGML-OTDNITJGSA-N 0 0 317.345 0.545 10 0 DCAERN CO[C@]1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCOC1 ZINC000356093017 261390413 /nfs/dbraw/zinc/39/04/13/261390413.db2.gz JRMORPMTOIVJRQ-GFCCVEGCSA-N 0 0 300.336 0.078 10 0 DCAERN COC[C@H](C)CS(=O)(=O)NC[C@@H](CO)c1ccccc1 ZINC000357541664 261553200 /nfs/dbraw/zinc/55/32/00/261553200.db2.gz JFJVWQQVWGHCBF-JSGCOSHPSA-N 0 0 301.408 0.964 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357802565 261587455 /nfs/dbraw/zinc/58/74/55/261587455.db2.gz XTCUTWASLRTVEU-SRVKXCTJSA-N 0 0 312.414 0.552 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC000357828670 261590057 /nfs/dbraw/zinc/59/00/57/261590057.db2.gz ABXQBLZLDAIHNO-YPMHNXCESA-N 0 0 310.398 0.260 10 0 DCAERN COc1cc(C)cc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)c1 ZINC000358161999 261642683 /nfs/dbraw/zinc/64/26/83/261642683.db2.gz RAFJNPQDDAEXTJ-JSGCOSHPSA-N 0 0 320.389 0.849 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358293322 261655716 /nfs/dbraw/zinc/65/57/16/261655716.db2.gz AGVDTJYCPUEUIP-CYBMUJFWSA-N 0 0 306.362 0.689 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)NC[C@@H](CO)C1CC1 ZINC000358483612 261673563 /nfs/dbraw/zinc/67/35/63/261673563.db2.gz XDUUBUHEFXAOQG-UONOGXRCSA-N 0 0 300.399 0.890 10 0 DCAERN Cc1nc(CN(C)C(=O)CCCNC(=O)c2cccnc2)no1 ZINC000358530670 261680115 /nfs/dbraw/zinc/68/01/15/261680115.db2.gz PBBWLZSUIYYUHU-UHFFFAOYSA-N 0 0 317.349 0.942 10 0 DCAERN COc1cccc(CCNC(=O)NCCc2cnn(C)c2)n1 ZINC000358905746 261712769 /nfs/dbraw/zinc/71/27/69/261712769.db2.gz RHUSWJYMGMRGFW-UHFFFAOYSA-N 0 0 303.366 0.908 10 0 DCAERN COc1ccc(C[C@@H](C)NC(=O)N2CCNC(=O)C2)cc1OC ZINC000358910333 261713652 /nfs/dbraw/zinc/71/36/52/261713652.db2.gz YZFGSGRCCJLIMC-LLVKDONJSA-N 0 0 321.377 0.776 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000359719171 261762694 /nfs/dbraw/zinc/76/26/94/261762694.db2.gz WVPWJLNIDPLOLS-GWCFXTLKSA-N 0 0 319.361 0.798 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000360574874 261846837 /nfs/dbraw/zinc/84/68/37/261846837.db2.gz RIYXFIXUYBGSRE-NEPJUHHUSA-N 0 0 310.398 0.307 10 0 DCAERN CC(=O)NCCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361353273 261915029 /nfs/dbraw/zinc/91/50/29/261915029.db2.gz AWZFDNGCURJQOU-GFCCVEGCSA-N 0 0 307.350 0.652 10 0 DCAERN COC[C@@](C)(NC(=O)CCCS(C)(=O)=O)C(F)(F)F ZINC000362201404 262009142 /nfs/dbraw/zinc/00/91/42/262009142.db2.gz GKFJTPJJQGSSOC-SECBINFHSA-N 0 0 305.318 0.895 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)nc1C ZINC000362399775 262029834 /nfs/dbraw/zinc/02/98/34/262029834.db2.gz BRXVFGWLQIIUKO-LLVKDONJSA-N 0 0 304.350 0.784 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000362419647 262032798 /nfs/dbraw/zinc/03/27/98/262032798.db2.gz CUSZPOUWXATURK-JCURWCKSSA-N 0 0 319.357 0.767 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccco1 ZINC000362463423 262038016 /nfs/dbraw/zinc/03/80/16/262038016.db2.gz HFCRYJYQWXNHPV-ZJUUUORDSA-N 0 0 311.338 0.535 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1nc(C)cc(OC)n1 ZINC000362668324 262058288 /nfs/dbraw/zinc/05/82/88/262058288.db2.gz RUZVBJNFWPNXPG-ZJUUUORDSA-N 0 0 310.354 0.662 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1ccn2ccnc2c1 ZINC000362709014 262064336 /nfs/dbraw/zinc/06/43/36/262064336.db2.gz YDTUTDXKUPYWGJ-ZDUSSCGKSA-N 0 0 302.334 0.198 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC000362774602 262071312 /nfs/dbraw/zinc/07/13/12/262071312.db2.gz PXIUGSFJSLRMTF-UONOGXRCSA-N 0 0 324.425 0.601 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@@](C)(O)C3CCC3)CC2)[nH]1 ZINC000362813730 262075879 /nfs/dbraw/zinc/07/58/79/262075879.db2.gz MUZYVESUBGYPLH-HNNXBMFYSA-N 0 0 307.398 0.308 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CCC1=O ZINC000362911849 262086427 /nfs/dbraw/zinc/08/64/27/262086427.db2.gz VJPNKACYALXIKT-RULNRJAQSA-N 0 0 311.407 0.177 10 0 DCAERN CNC(=O)CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000363061461 262096184 /nfs/dbraw/zinc/09/61/84/262096184.db2.gz PKKMPDFCUKRXCD-MRXNPFEDSA-N 0 0 303.362 0.544 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1C ZINC000363546029 262120392 /nfs/dbraw/zinc/12/03/92/262120392.db2.gz NHOXEOIJJLDZEV-RDBSUJKOSA-N 0 0 306.410 0.359 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000363923547 262136444 /nfs/dbraw/zinc/13/64/44/262136444.db2.gz BOQOALUVCSTBOF-NEPJUHHUSA-N 0 0 320.411 0.227 10 0 DCAERN O=S(=O)(Cc1ccccc1F)N1CCC[C@](O)(CO)C1 ZINC000396487583 262163656 /nfs/dbraw/zinc/16/36/56/262163656.db2.gz JDEZLWGWHCIWLP-CYBMUJFWSA-N 0 0 303.355 0.475 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@@H]([C@@H](C)O)C1 ZINC000412066474 262180552 /nfs/dbraw/zinc/18/05/52/262180552.db2.gz DDXNBAZHNWLHHS-IUODEOHRSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CC[C@H](C)O)c1 ZINC000355455129 271010273 /nfs/dbraw/zinc/01/02/73/271010273.db2.gz IKETYCMBFROMLO-NSHDSACASA-N 0 0 321.377 0.837 10 0 DCAERN COC(=O)CSCCNC(=O)NCc1nnc2ccccn21 ZINC000357259145 271046768 /nfs/dbraw/zinc/04/67/68/271046768.db2.gz PCKNDSYXTUFOFC-UHFFFAOYSA-N 0 0 323.378 0.435 10 0 DCAERN O=C(NCCNC(=O)c1cccs1)NC[C@H](CO)C1CC1 ZINC000358548410 271057690 /nfs/dbraw/zinc/05/76/90/271057690.db2.gz OSVYMUABIJENJI-LLVKDONJSA-N 0 0 311.407 0.796 10 0 DCAERN COC[C@H]1CCN(C(=O)C(=O)NCCc2cccc(OC)n2)C1 ZINC000359237963 271110396 /nfs/dbraw/zinc/11/03/96/271110396.db2.gz NARWKFPQXLFICB-LBPRGKRZSA-N 0 0 321.377 0.244 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)C(=O)N2CCC23CCC3)c1 ZINC000359485366 271120494 /nfs/dbraw/zinc/12/04/94/271120494.db2.gz ZCBSBXMKFYMIBH-UHFFFAOYSA-N 0 0 315.373 0.599 10 0 DCAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CCCO)c1 ZINC000359601579 271129243 /nfs/dbraw/zinc/12/92/43/271129243.db2.gz HHVZNBSCAQUUKS-NHYWBVRUSA-N 0 0 320.389 0.826 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359613162 271132141 /nfs/dbraw/zinc/13/21/41/271132141.db2.gz ZCJYLHIIVKSGCW-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000359611956 271133317 /nfs/dbraw/zinc/13/33/17/271133317.db2.gz QHCTVZRDUJDMCZ-CQSZACIVSA-N 0 0 310.394 0.509 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)C1 ZINC000367501022 271210301 /nfs/dbraw/zinc/21/03/01/271210301.db2.gz UCWGQRKXGYIEEO-NWDGAFQWSA-N 0 0 306.366 0.594 10 0 DCAERN CC[C@@H](O)CCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000398553659 271218887 /nfs/dbraw/zinc/21/88/87/271218887.db2.gz HJUCSGBWBVEDCR-SNVBAGLBSA-N 0 0 317.411 0.214 10 0 DCAERN COC[C@H](NC(=O)NCC1(CO)COC1)c1ccc(F)cc1 ZINC000437985296 271627429 /nfs/dbraw/zinc/62/74/29/271627429.db2.gz JPHBLQPVCVZPMN-ZDUSSCGKSA-N 0 0 312.341 0.821 10 0 DCAERN NC(=O)COc1ccc(N2C(=O)CN(C3CCC3)C2=O)cc1 ZINC000445895959 271749095 /nfs/dbraw/zinc/74/90/95/271749095.db2.gz WQFIFQKJFBGHBW-UHFFFAOYSA-N 0 0 303.318 0.872 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 ZINC000446382644 271759013 /nfs/dbraw/zinc/75/90/13/271759013.db2.gz DMMFHLZAEQCMJP-ZETCQYMHSA-N 0 0 321.366 0.808 10 0 DCAERN CO[C@H](Cc1ccccc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000450588731 271875637 /nfs/dbraw/zinc/87/56/37/271875637.db2.gz WEAHFDIHRCHENG-HZPDHXFCSA-N 0 0 304.390 0.787 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC[C@H]2CCCO2)CC12COC2 ZINC000452228358 271911625 /nfs/dbraw/zinc/91/16/25/271911625.db2.gz NKGFNCUUAMGFOU-CHWSQXEVSA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccncc2F)CC12COC2 ZINC000452269587 271913351 /nfs/dbraw/zinc/91/33/51/271913351.db2.gz XXTSABZYAGFMNW-LLVKDONJSA-N 0 0 308.309 0.872 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000457968466 271939570 /nfs/dbraw/zinc/93/95/70/271939570.db2.gz ILNVWENFDRZAGJ-SMDDNHRTSA-N 0 0 321.356 0.881 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)NC[C@@H](O)Cn1ccnn1)C(F)(F)F ZINC000459549163 272000313 /nfs/dbraw/zinc/00/03/13/272000313.db2.gz YQVLZGJXTGTQEW-IVZWLZJFSA-N 0 0 323.319 0.915 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000459843216 272015660 /nfs/dbraw/zinc/01/56/60/272015660.db2.gz XNASMSDLULOLOM-PBFPGSCMSA-N 0 0 321.421 0.620 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000471668550 272028262 /nfs/dbraw/zinc/02/82/62/272028262.db2.gz KYOBEIZDPWHRGA-GHMZBOCLSA-N 0 0 302.334 0.475 10 0 DCAERN CC(=O)N1CCC(CNC(=O)NCc2ncccc2O)CC1 ZINC000471813745 272031867 /nfs/dbraw/zinc/03/18/67/272031867.db2.gz XIZLHUIJRDZOFR-UHFFFAOYSA-N 0 0 306.366 0.845 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCCN2CCOC[C@@H]2C)[nH]n1 ZINC000487548339 272041285 /nfs/dbraw/zinc/04/12/85/272041285.db2.gz KFLPWGKKRPHSOO-YPMHNXCESA-N 0 0 309.414 0.669 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncc1C ZINC000488579337 272046602 /nfs/dbraw/zinc/04/66/02/272046602.db2.gz IHOGYZKUDHHLGM-MNOVXSKESA-N 0 0 322.365 0.390 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@@H]3CCC(=O)NC3)cc21 ZINC000488953230 272053988 /nfs/dbraw/zinc/05/39/88/272053988.db2.gz XPGDMNGXFSHCAN-GFCCVEGCSA-N 0 0 314.345 0.939 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@@H](CO)c1cccnc1)C1CCCC1 ZINC000490393708 272074172 /nfs/dbraw/zinc/07/41/72/272074172.db2.gz KLKQZSOSDQSRIY-JKSUJKDBSA-N 0 0 319.405 0.969 10 0 DCAERN CC[C@H](C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000491832042 272105121 /nfs/dbraw/zinc/10/51/21/272105121.db2.gz NGHZGCNBCPIZSS-LBPRGKRZSA-N 0 0 320.455 0.932 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C ZINC000492315489 272123078 /nfs/dbraw/zinc/12/30/78/272123078.db2.gz XNVRAFHMYWBBLV-IUCAKERBSA-N 0 0 304.334 0.961 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000494443361 272222852 /nfs/dbraw/zinc/22/28/52/272222852.db2.gz BBBUXOQGSFTCNU-GFCCVEGCSA-N 0 0 313.442 0.859 10 0 DCAERN CCOC(=O)[C@@H](CC)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494480056 272223547 /nfs/dbraw/zinc/22/35/47/272223547.db2.gz ZZWOTGSMWSSCQJ-GFCCVEGCSA-N 0 0 300.399 0.897 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C[C@H](O)C2(CC2)C1 ZINC000494714646 272228737 /nfs/dbraw/zinc/22/87/37/272228737.db2.gz XTEYYSLOFHUBGC-HOTGVXAUSA-N 0 0 316.401 0.760 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccccc1OCCO ZINC000495232675 272241888 /nfs/dbraw/zinc/24/18/88/272241888.db2.gz SZDUWNALBPXTSM-GXTWGEPZSA-N 0 0 308.378 0.970 10 0 DCAERN CS(=O)(=O)NCC1CCN(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000505750054 272393844 /nfs/dbraw/zinc/39/38/44/272393844.db2.gz IRAQTKWDHIDPPX-LBPRGKRZSA-N 0 0 319.427 0.136 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000529762093 272708005 /nfs/dbraw/zinc/70/80/05/272708005.db2.gz IIZAKUONGWJLNX-XHSDSOJGSA-N 0 0 318.373 0.620 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000532984254 272798953 /nfs/dbraw/zinc/79/89/53/272798953.db2.gz ANXQCEIQHPRXPO-MNOVXSKESA-N 0 0 312.395 0.315 10 0 DCAERN C[C@@H]1CCSCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408336340 287662772 /nfs/dbraw/zinc/66/27/72/287662772.db2.gz MZMDVEMYRWXERS-SNVBAGLBSA-N 0 0 315.482 0.578 10 0 DCAERN COC(=O)CN(C(=O)c1cccc2ncnn21)C1CCOCC1 ZINC000519846541 287683104 /nfs/dbraw/zinc/68/31/04/287683104.db2.gz CLLFEFDAQMPSJZ-UHFFFAOYSA-N 0 0 318.333 0.524 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527505290 287695108 /nfs/dbraw/zinc/69/51/08/287695108.db2.gz JIISTMOEFLHHJC-QWRGUYRKSA-N 0 0 317.349 0.745 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)c2cn3cccnc3n2)CC1=O ZINC000531463795 287777899 /nfs/dbraw/zinc/77/78/99/287777899.db2.gz NRFVQFGOWIJQBN-JTQLQIEISA-N 0 0 301.350 0.859 10 0 DCAERN NC(=O)N[C@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000534243032 287806724 /nfs/dbraw/zinc/80/67/24/287806724.db2.gz JAQSPZBDFNTNDZ-JTQLQIEISA-N 0 0 309.347 0.864 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](NC(N)=O)C2)c1C ZINC000535000992 287822815 /nfs/dbraw/zinc/82/28/15/287822815.db2.gz PGZAQPFCDJJFFA-JTQLQIEISA-N 0 0 322.365 0.691 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535698652 287836676 /nfs/dbraw/zinc/83/66/76/287836676.db2.gz GLTODAUORQJQNX-NSHDSACASA-N 0 0 318.333 0.991 10 0 DCAERN O=C(CCc1cc2ccccc2[nH]c1=O)NCCn1ncnn1 ZINC000536609225 287859127 /nfs/dbraw/zinc/85/91/27/287859127.db2.gz DIBQPTURTQRZON-UHFFFAOYSA-N 0 0 312.333 0.676 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3ncncc3Br)CC[C@@H]21 ZINC000284464100 276880438 /nfs/dbraw/zinc/88/04/38/276880438.db2.gz CYZMXHSHAMLXIP-BDAKNGLRSA-N 0 0 312.171 0.841 10 0 DCAERN CN(C)c1noc(CN2CCNC(=O)[C@@H]2c2ccccc2)n1 ZINC000192759645 276908472 /nfs/dbraw/zinc/90/84/72/276908472.db2.gz WUVMBJQGIGSHDS-ZDUSSCGKSA-N 0 0 301.350 0.809 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1=O ZINC000408051357 276984206 /nfs/dbraw/zinc/98/42/06/276984206.db2.gz HKFCXCICWZQJGS-XJFOESAGSA-N 0 0 310.394 0.243 10 0 DCAERN CN1C(=O)CN(c2ncnc3sc4c(c32)CCC4)CC1=O ZINC000184291895 277009612 /nfs/dbraw/zinc/00/96/12/277009612.db2.gz HUMKKDRPEPMJTK-UHFFFAOYSA-N 0 0 302.359 0.985 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCS1(=O)=O ZINC000408236674 287932177 /nfs/dbraw/zinc/93/21/77/287932177.db2.gz PWJATHZGBHOZNL-MWLCHTKSSA-N 0 0 312.395 0.096 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000131456402 277063121 /nfs/dbraw/zinc/06/31/21/277063121.db2.gz DNNHTISAHJRIGC-BXUZGUMPSA-N 0 0 324.352 0.877 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCNS(C)(=O)=O ZINC000189343739 277280514 /nfs/dbraw/zinc/28/05/14/277280514.db2.gz ZMLHEQAFZRSZSM-UHFFFAOYSA-N 0 0 306.413 0.115 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172961628 277310186 /nfs/dbraw/zinc/31/01/86/277310186.db2.gz PQMFEWSFLYTNHZ-LLVKDONJSA-N 0 0 312.391 0.954 10 0 DCAERN Cn1nnc2cc(C(=O)Nc3ncn(C(C)(C)C)n3)cnc21 ZINC000543507847 287958530 /nfs/dbraw/zinc/95/85/30/287958530.db2.gz LPIIUCZPCDJPOB-UHFFFAOYSA-N 0 0 300.326 0.962 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000342733457 278005200 /nfs/dbraw/zinc/00/52/00/278005200.db2.gz VIDPILHSPXMEAM-ZYHUDNBSSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC(=O)Nc3c(C)ccnc32)C1 ZINC000180861383 278018460 /nfs/dbraw/zinc/01/84/60/278018460.db2.gz GVEIOAGZAMGROL-LBPRGKRZSA-N 0 0 316.361 0.934 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@@H](C3CC3)C2)CC1 ZINC000330129718 278036302 /nfs/dbraw/zinc/03/63/02/278036302.db2.gz KDVMUPCVBLRMEV-IUODEOHRSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)CCO2 ZINC000408300604 278058912 /nfs/dbraw/zinc/05/89/12/278058912.db2.gz YQEHVHUDEAQHTE-HWWQOWPSSA-N 0 0 321.377 0.934 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000329310565 278068620 /nfs/dbraw/zinc/06/86/20/278068620.db2.gz CGNYRMBNKICXGA-KNCOVGOOSA-N 0 0 310.394 0.384 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000546025179 288012745 /nfs/dbraw/zinc/01/27/45/288012745.db2.gz FNXQLVPRBHUXDV-OLZOCXBDSA-N 0 0 314.407 0.745 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000546024872 288012768 /nfs/dbraw/zinc/01/27/68/288012768.db2.gz HYVYROVPPLHJCX-IJLUTSLNSA-N 0 0 324.468 0.661 10 0 DCAERN Cc1nnc2n1C[C@@H](CNS(=O)(=O)N1CCC[C@@H]1C)CC2 ZINC000546731948 288028818 /nfs/dbraw/zinc/02/88/18/288028818.db2.gz WWUAMUKANNNPCE-CMPLNLGQSA-N 0 0 313.427 0.468 10 0 DCAERN CC(=O)[C@@H]1C[C@H](CC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000285139212 278232120 /nfs/dbraw/zinc/23/21/20/278232120.db2.gz OPPMQKQCQPLCNP-ZOBORPQBSA-N 0 0 320.393 0.976 10 0 DCAERN CC1(C)CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000287761376 278232882 /nfs/dbraw/zinc/23/28/82/278232882.db2.gz UHLWNNYYLWEXTC-QWRGUYRKSA-N 0 0 305.382 0.924 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@H](CO)[C@H](O)C2)cn1 ZINC000546693213 288026069 /nfs/dbraw/zinc/02/60/69/288026069.db2.gz AMNKJTWSDJDORA-ZYHUDNBSSA-N 0 0 309.366 0.023 10 0 DCAERN CC1(C)CN(CC(F)(F)F)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000180956301 278329586 /nfs/dbraw/zinc/32/95/86/278329586.db2.gz HHRGWAPTHZKBBB-SECBINFHSA-N 0 0 307.316 0.608 10 0 DCAERN CCOC(=O)CN(CC(=O)N(C)Cc1cnn(C)c1)C1CCC1 ZINC000547347249 288039903 /nfs/dbraw/zinc/03/99/03/288039903.db2.gz JGUJMOSYEVKXBZ-UHFFFAOYSA-N 0 0 322.409 0.796 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000368561875 278494978 /nfs/dbraw/zinc/49/49/78/278494978.db2.gz MFDYSNBRMZYCDI-AXFHLTTASA-N 0 0 304.412 0.340 10 0 DCAERN N#Cc1cnccc1NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000547503509 288053327 /nfs/dbraw/zinc/05/33/27/288053327.db2.gz OGWNSFLVUQQCLK-UHFFFAOYSA-N 0 0 309.329 0.202 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408155477 278538332 /nfs/dbraw/zinc/53/83/32/278538332.db2.gz UXFYWHMXQNSYPF-WDEREUQCSA-N 0 0 303.424 0.725 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000408415261 278634022 /nfs/dbraw/zinc/63/40/22/278634022.db2.gz JIRDWBXOXSUYFZ-AWEZNQCLSA-N 0 0 320.455 0.762 10 0 DCAERN Cc1nc(CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)c(C)o1 ZINC000547736980 288074208 /nfs/dbraw/zinc/07/42/08/288074208.db2.gz ICYCCKRJQJIMGQ-INIZCTEOSA-N 0 0 319.361 0.563 10 0 DCAERN COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000547801690 288080693 /nfs/dbraw/zinc/08/06/93/288080693.db2.gz JDJSGOYDMQPICW-CYBMUJFWSA-N 0 0 313.379 0.403 10 0 DCAERN O=C(NC1CC1)c1noc([C@@H]2CCCN2CCn2ccnc2)n1 ZINC000548025221 288103259 /nfs/dbraw/zinc/10/32/59/288103259.db2.gz ZFBJAKVTGYUTJX-LBPRGKRZSA-N 0 0 316.365 0.995 10 0 DCAERN CC(C)N(C(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116891723 279307160 /nfs/dbraw/zinc/30/71/60/279307160.db2.gz UNAOUBYNOWOZOX-STQMWFEESA-N 0 0 319.471 0.644 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000151650078 279439583 /nfs/dbraw/zinc/43/95/83/279439583.db2.gz VUCJFTZUKUFHTO-JTQLQIEISA-N 0 0 319.452 0.860 10 0 DCAERN COC(=O)CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000548424881 288141414 /nfs/dbraw/zinc/14/14/14/288141414.db2.gz DUTNSKFHPNHWOW-ZIAGYGMSSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1N1CCOCC1 ZINC000246625177 288143239 /nfs/dbraw/zinc/14/32/39/288143239.db2.gz ZAWKMDDCTZHXEI-GHMZBOCLSA-N 0 0 311.411 0.129 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000091780968 279591950 /nfs/dbraw/zinc/59/19/50/279591950.db2.gz JJJZGPWXXDZWBE-GFCCVEGCSA-N 0 0 322.748 0.829 10 0 DCAERN Cc1ccc(CCNC(=O)[C@@](C)(O)Cn2ccccc2=O)o1 ZINC000548716681 288170321 /nfs/dbraw/zinc/17/03/21/288170321.db2.gz SFPLHJRNPJBFOJ-INIZCTEOSA-N 0 0 304.346 0.860 10 0 DCAERN CC(C)[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C(N)=O ZINC000135501045 279890756 /nfs/dbraw/zinc/89/07/56/279890756.db2.gz HRTYDOGPPQGDHN-MRVPVSSYSA-N 0 0 321.303 0.748 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(C(=O)COc2cnn(C)c2)C1 ZINC000548800060 288177116 /nfs/dbraw/zinc/17/71/16/288177116.db2.gz LRXMUXGXHYPACC-LBPRGKRZSA-N 0 0 318.381 0.817 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N[C@H]1CCCN(C)C1=O ZINC000549043791 288190466 /nfs/dbraw/zinc/19/04/66/288190466.db2.gz GPFQZQQXMBYRNJ-YPMHNXCESA-N 0 0 305.382 0.718 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H]1CCCc2nn(C)cc21)S(C)(=O)=O ZINC000549054776 288190819 /nfs/dbraw/zinc/19/08/19/288190819.db2.gz SIFDXHMNIBWALN-GXSJLCMTSA-N 0 0 314.411 0.530 10 0 DCAERN Cn1nnc2c1nccc2C(=O)N1CCSC[C@H]1CCO ZINC000549079969 288191488 /nfs/dbraw/zinc/19/14/88/288191488.db2.gz XELXOSIHPJZYIA-SECBINFHSA-N 0 0 307.379 0.303 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)[C@@H](C)CO ZINC000549395827 288197547 /nfs/dbraw/zinc/19/75/47/288197547.db2.gz FKSRXVMQEKWHSN-JTQLQIEISA-N 0 0 319.361 0.373 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)CCO3)n1 ZINC000551213838 288225222 /nfs/dbraw/zinc/22/52/22/288225222.db2.gz WLBZRVUOWZRINL-UHFFFAOYSA-N 0 0 314.345 0.288 10 0 DCAERN COc1cnc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000551196911 288224916 /nfs/dbraw/zinc/22/49/16/288224916.db2.gz CTQFMFHABZLGRM-WCQYABFASA-N 0 0 306.366 0.278 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)C1 ZINC000552352729 288273353 /nfs/dbraw/zinc/27/33/53/288273353.db2.gz RHJKGMIMBMXNQX-YUELXQCFSA-N 0 0 312.410 0.945 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@H](C)OC[C@H]2CCCCO2)C1 ZINC000552352728 288273399 /nfs/dbraw/zinc/27/33/99/288273399.db2.gz RHJKGMIMBMXNQX-NWANDNLSSA-N 0 0 312.410 0.945 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCC(CCO)CC1 ZINC000553090616 288286409 /nfs/dbraw/zinc/28/64/09/288286409.db2.gz UXCSWAYJAVRLQU-UHFFFAOYSA-N 0 0 316.361 0.894 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@@H]2CCCOC2)C[C@@]2(CCOC2)O1 ZINC000330158328 281257490 /nfs/dbraw/zinc/25/74/90/281257490.db2.gz PYCUTDACASRULA-TZMCWYRMSA-N 0 0 319.423 0.765 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(O[C@@H]3CCOC3)CC2)cn1 ZINC000554530576 288326621 /nfs/dbraw/zinc/32/66/21/288326621.db2.gz LNRSERMGVRPPFR-CYBMUJFWSA-N 0 0 309.366 0.595 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC(OCCO)CC1 ZINC000555211771 288346014 /nfs/dbraw/zinc/34/60/14/288346014.db2.gz QBQVVTMUFTUVKA-AWEZNQCLSA-N 0 0 322.409 0.980 10 0 DCAERN O=C(CN1CCO[C@@H](COc2ccccc2)C1)N1CCNC1=O ZINC000555448662 288351293 /nfs/dbraw/zinc/35/12/93/288351293.db2.gz YYPCBVRAALCWAH-CQSZACIVSA-N 0 0 319.361 0.318 10 0 DCAERN CC[C@H](C(=O)N1CCOCC1)N1C(=O)CN(C2CCC2)C1=O ZINC000555733399 288360991 /nfs/dbraw/zinc/36/09/91/288360991.db2.gz PIOQOYAQVBEJIQ-GFCCVEGCSA-N 0 0 309.366 0.441 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1c1cc[nH]n1 ZINC000556762421 288392027 /nfs/dbraw/zinc/39/20/27/288392027.db2.gz KEPAAQFMWSDYDU-AWEZNQCLSA-N 0 0 302.382 0.939 10 0 DCAERN CC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016669 288523865 /nfs/dbraw/zinc/52/38/65/288523865.db2.gz MYXRBSIWZVEODB-NSHDSACASA-N 0 0 304.350 0.798 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCc2cc(C)no2)C1 ZINC000561641376 288549565 /nfs/dbraw/zinc/54/95/65/288549565.db2.gz LLEXWMXRVQLDSK-LLVKDONJSA-N 0 0 309.370 0.629 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)NCCOCC1CCC1 ZINC000562297565 288564024 /nfs/dbraw/zinc/56/40/24/288564024.db2.gz VOTUXBPTCNQLDL-JSGCOSHPSA-N 0 0 300.399 0.984 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC000563304935 288658118 /nfs/dbraw/zinc/65/81/18/288658118.db2.gz XKNUHTYRZFIJCA-UHFFFAOYSA-N 0 0 307.350 0.668 10 0 DCAERN COC(=O)c1cccc(C[S@](=O)CC(=O)N(C)CC2CC2)n1 ZINC000564810333 288771786 /nfs/dbraw/zinc/77/17/86/288771786.db2.gz CBNIITBEWXTNQM-QFIPXVFZSA-N 0 0 324.402 0.985 10 0 DCAERN CN(C(=O)CN1CCOCC1=O)[C@@H]1CCCc2c1cnn2C ZINC000365566231 288806720 /nfs/dbraw/zinc/80/67/20/288806720.db2.gz LLYDPQWEISQJOE-GFCCVEGCSA-N 0 0 306.366 0.115 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000054814315 289018030 /nfs/dbraw/zinc/01/80/30/289018030.db2.gz NYAOLGSNOINQIU-GXTWGEPZSA-N 0 0 321.421 0.857 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)c1ccccn1 ZINC000329415738 289048731 /nfs/dbraw/zinc/04/87/31/289048731.db2.gz FZZHMWJDUKXPKH-CHWSQXEVSA-N 0 0 311.407 0.565 10 0 DCAERN CN(C)S(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408031689 289258405 /nfs/dbraw/zinc/25/84/05/289258405.db2.gz OPXQLJCUZRGVKT-PWSUYJOCSA-N 0 0 301.412 0.268 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1Cn1ccnn1)N1CCSCC1 ZINC000328918625 289279027 /nfs/dbraw/zinc/27/90/27/289279027.db2.gz AJEFEWOZGCIWBO-OLZOCXBDSA-N 0 0 309.439 0.706 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCNC(=O)CC1 ZINC000065955261 289376196 /nfs/dbraw/zinc/37/61/96/289376196.db2.gz CORYYGHLWJWSPE-OCCSQVGLSA-N 0 0 317.389 0.837 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)N2CCNC(=O)C2)[C@@H]1c1ccccc1 ZINC000171790392 289801560 /nfs/dbraw/zinc/80/15/60/289801560.db2.gz DGNVJFJPFDIBKL-BBRMVZONSA-N 0 0 315.373 0.555 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000172909562 290024815 /nfs/dbraw/zinc/02/48/15/290024815.db2.gz MZOFXSLGVWTFJT-OAHLLOKOSA-N 0 0 316.405 0.850 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000175884516 293517251 /nfs/dbraw/zinc/51/72/51/293517251.db2.gz WAKXSGDOILIQKV-NEPJUHHUSA-N 0 0 320.397 0.587 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000177223834 293656567 /nfs/dbraw/zinc/65/65/67/293656567.db2.gz KTPHJFMYCYGKCZ-DGCLKSJQSA-N 0 0 313.423 0.863 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000328907142 293740672 /nfs/dbraw/zinc/74/06/72/293740672.db2.gz LHMRKWSTYJDJIB-GYSYKLTISA-N 0 0 306.366 0.187 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1(C)C ZINC000408103534 294035374 /nfs/dbraw/zinc/03/53/74/294035374.db2.gz BFXLEFGUTFHGIW-IEECTRCBSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000330107507 297056122 /nfs/dbraw/zinc/05/61/22/297056122.db2.gz MFRSDTZEAXUDFL-NRWUCQMLSA-N 0 0 318.439 0.840 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C[C@@H](C)O1 ZINC000246218346 297056413 /nfs/dbraw/zinc/05/64/13/297056413.db2.gz UJDDZIVQVDZSPM-LSGALXMHSA-N 0 0 318.439 0.433 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2[C@H](C)CCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000365927895 294647092 /nfs/dbraw/zinc/64/70/92/294647092.db2.gz NXNMKWIQUSPJIB-FVCCEPFGSA-N 0 0 318.439 0.825 10 0 DCAERN COc1ccc(-c2n[nH]cc2[C@H]2NC(=O)[C@@H]3COCCN32)cc1 ZINC000093884877 295048719 /nfs/dbraw/zinc/04/87/19/295048719.db2.gz ZMBABVDFMVVZSG-ZFWWWQNUSA-N 0 0 314.345 0.915 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000137098792 295072545 /nfs/dbraw/zinc/07/25/45/295072545.db2.gz FTUCQROTWITAIY-UHFFFAOYSA-N 0 0 318.377 0.992 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000091785390 295158073 /nfs/dbraw/zinc/15/80/73/295158073.db2.gz CHQOYVPUOXMSTI-WCQYABFASA-N 0 0 304.346 0.656 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000408395146 295169333 /nfs/dbraw/zinc/16/93/33/295169333.db2.gz MKPXTTKHAUXSMK-JTQLQIEISA-N 0 0 313.375 0.908 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681548 297090863 /nfs/dbraw/zinc/09/08/63/297090863.db2.gz YJMJKFUBJUVCNZ-AGIUHOORSA-N 0 0 300.424 0.506 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000373055026 297122658 /nfs/dbraw/zinc/12/26/58/297122658.db2.gz HMIMFYDSAMPOFO-WQVCFCJDSA-N 0 0 318.373 0.832 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000408324210 297566052 /nfs/dbraw/zinc/56/60/52/297566052.db2.gz JLCBZXXPWUPAQV-XKGSQUFQSA-N 0 0 311.382 0.671 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000274127358 297596706 /nfs/dbraw/zinc/59/67/06/297596706.db2.gz VTTBAERWWRFFAC-ZMLRMANQSA-N 0 0 310.375 0.992 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408205423 298119673 /nfs/dbraw/zinc/11/96/73/298119673.db2.gz YALBCUBCUVLSBW-VHSXEESVSA-N 0 0 319.427 0.118 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068286340 300034846 /nfs/dbraw/zinc/03/48/46/300034846.db2.gz IFDFDQTWHTVERH-CMPLNLGQSA-N 0 0 317.389 0.980 10 0 DCAERN C[C@H]1CC[C@H](N2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)CC1 ZINC000330133776 300069096 /nfs/dbraw/zinc/06/90/96/300069096.db2.gz RJCHAPSNKKHENX-GMTAPVOTSA-N 0 0 300.380 0.626 10 0 DCAERN C[C@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CCS1 ZINC000125215973 300172995 /nfs/dbraw/zinc/17/29/95/300172995.db2.gz AJUXNAZNTJGWQM-UWVGGRQHSA-N 0 0 308.469 0.914 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C[C@H](C)O1 ZINC000246218335 300284240 /nfs/dbraw/zinc/28/42/40/300284240.db2.gz UJDDZIVQVDZSPM-CSHRUCKSSA-N 0 0 318.439 0.433 10 0 DCAERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cnnn1C ZINC000333340489 300369013 /nfs/dbraw/zinc/36/90/13/300369013.db2.gz SSPMPLPNFVNQCF-AAEUAGOBSA-N 0 0 322.390 0.966 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000123789805 301243994 /nfs/dbraw/zinc/24/39/94/301243994.db2.gz XQUQVALWOLJXLL-QWHCGFSZSA-N 0 0 308.382 0.113 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CCS(C)(=O)=O ZINC000184736224 301324499 /nfs/dbraw/zinc/32/44/99/301324499.db2.gz IOIQPOXHPNLSHA-ZDUSSCGKSA-N 0 0 314.382 0.652 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCO[C@]4(CCOC4)C3)C2=O)n(C)n1 ZINC000185196183 301341855 /nfs/dbraw/zinc/34/18/55/301341855.db2.gz RUSRJKFHWBFKQC-XJKSGUPXSA-N 0 0 320.393 0.325 10 0 DCAERN Cc1cc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)n(C)n1 ZINC000408105850 301350966 /nfs/dbraw/zinc/35/09/66/301350966.db2.gz QYOJHSSHJWZIPW-VIFPVBQESA-N 0 0 301.372 0.013 10 0 DCAERN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)CO2 ZINC000284939748 301442600 /nfs/dbraw/zinc/44/26/00/301442600.db2.gz CMYRLAOOGXYTDP-ZLDLUXBVSA-N 0 0 318.373 0.881 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000179688252 301601141 /nfs/dbraw/zinc/60/11/41/301601141.db2.gz DMJQIMCZZZEMFM-SNVBAGLBSA-N 0 0 318.782 0.523 10 0 DCAERN Cc1oc(C(=O)N2CC[C@H](O)C2(C)C)cc1S(N)(=O)=O ZINC000408379432 302868540 /nfs/dbraw/zinc/86/85/40/302868540.db2.gz ZSFGOYAWRGEUFR-JTQLQIEISA-N 0 0 302.352 0.221 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000128597890 302923266 /nfs/dbraw/zinc/92/32/66/302923266.db2.gz PZJGHHRZACRBSD-OLZOCXBDSA-N 0 0 305.382 0.887 10 0 DCAERN NC(=O)[C@@H]1c2ccccc2CCN1CC1CCS(=O)(=O)CC1 ZINC000367294049 303321305 /nfs/dbraw/zinc/32/13/05/303321305.db2.gz BDIYYWZJZRLVQF-HNNXBMFYSA-N 0 0 322.430 0.896 10 0 DCAERN O=C(CN1CCOCC1)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408050662 303614900 /nfs/dbraw/zinc/61/49/00/303614900.db2.gz FGJUVVQBCDZPTR-RRFJBIMHSA-N 0 0 312.410 0.097 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188726347 533703051 /nfs/dbraw/zinc/70/30/51/533703051.db2.gz POXATWMNPPSZKI-CQSZACIVSA-N 0 0 312.435 0.991 10 0 DCAERN CN1c2ccccc2N(C(=O)CN2CCOCC2=O)CCC1=O ZINC000570770542 332813749 /nfs/dbraw/zinc/81/37/49/332813749.db2.gz PSWPDEMVUWNYEA-UHFFFAOYSA-N 0 0 317.345 0.245 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(c3cccnn3)CC2)n1 ZINC000170640984 332859963 /nfs/dbraw/zinc/85/99/63/332859963.db2.gz FOHLYKVFRBQHLH-UHFFFAOYSA-N 0 0 310.365 0.788 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCOC[C@H]2C)nn1 ZINC000332833284 332881187 /nfs/dbraw/zinc/88/11/87/332881187.db2.gz UCUZOFCUDMVZCO-LYIQGSDWSA-N 0 0 310.354 0.019 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)NCc1ccc(C2CC2)cc1 ZINC000188920540 333058389 /nfs/dbraw/zinc/05/83/89/333058389.db2.gz VCWXPGKIPAZFQG-UHFFFAOYSA-N 0 0 316.361 0.915 10 0 DCAERN CCN1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1=O ZINC000190648853 336265231 /nfs/dbraw/zinc/26/52/31/336265231.db2.gz LWXSKDDYZUTJNP-UHFFFAOYSA-N 0 0 320.374 0.683 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000583059550 337234150 /nfs/dbraw/zinc/23/41/50/337234150.db2.gz QQPNXQKUXPAAIQ-DZGCQCFKSA-N 0 0 318.373 0.819 10 0 DCAERN C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584444727 337326309 /nfs/dbraw/zinc/32/63/09/337326309.db2.gz QLTRCYIJCFNYSL-DLGQBQFBSA-N 0 0 302.334 0.716 10 0 DCAERN C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000584551460 337360416 /nfs/dbraw/zinc/36/04/16/337360416.db2.gz HZHRKCBRVWXXEH-ZIAGYGMSSA-N 0 0 323.437 0.757 10 0 DCAERN Cn1cnc(S(=O)(=O)N2C[C@H](c3ccccn3)[C@H](CO)C2)c1 ZINC000584633645 337377651 /nfs/dbraw/zinc/37/76/51/337377651.db2.gz FBVFKXHQVVHSQR-RYUDHWBXSA-N 0 0 322.390 0.212 10 0 DCAERN COc1cc2c(cc1C(N)=O)nccc2OC[C@@H]1CCC(=O)N1 ZINC000584640445 337379920 /nfs/dbraw/zinc/37/99/20/337379920.db2.gz IUEIQDIJUPIDTQ-VIFPVBQESA-N 0 0 315.329 1.000 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C/C=C/c1cccc(F)c1 ZINC000175885199 341850657 /nfs/dbraw/zinc/85/06/57/341850657.db2.gz IARBSFWJWSZYFQ-HWKANZROSA-N 0 0 300.355 0.894 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000176098060 341859412 /nfs/dbraw/zinc/85/94/12/341859412.db2.gz QSBXUBNXQXPION-RKDXNWHRSA-N 0 0 321.299 0.038 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCOCC2(CC2)C1 ZINC000577945433 341953789 /nfs/dbraw/zinc/95/37/89/341953789.db2.gz ZZFOMVFTVRYMKM-MJBXVCDLSA-N 0 0 322.405 0.699 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCC(=O)N1CCCCC1 ZINC000178773681 341964450 /nfs/dbraw/zinc/96/44/50/341964450.db2.gz MKQIRGCAZOYJRC-UHFFFAOYSA-N 0 0 321.381 0.360 10 0 DCAERN CCN1CCC[C@H](NC(=O)N[C@H](C)CS(=O)(=O)CC)C1 ZINC000246988378 521645487 /nfs/dbraw/zinc/64/54/87/521645487.db2.gz FDURLZMLQWYKKW-NEPJUHHUSA-N 0 0 305.444 0.593 10 0 DCAERN C[C@@H]1CN(C(=O)CSCC(F)(F)F)CCN1CCO ZINC000188798777 534306542 /nfs/dbraw/zinc/30/65/42/534306542.db2.gz RPDYKWNMSHXQPV-SECBINFHSA-N 0 0 300.346 0.807 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000163286311 518898702 /nfs/dbraw/zinc/89/87/02/518898702.db2.gz ABJCFJJWEASPHC-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN CC(C)(C)[C@@H](CO)NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000190131303 518921199 /nfs/dbraw/zinc/92/11/99/518921199.db2.gz CTTNYYHIUKOSRJ-LLVKDONJSA-N 0 0 300.380 0.471 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000159079895 518987421 /nfs/dbraw/zinc/98/74/21/518987421.db2.gz LGBHTRSMVNJJET-OAQYLSRUSA-N 0 0 312.395 0.849 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163570020 519328252 /nfs/dbraw/zinc/32/82/52/519328252.db2.gz PPJCADGIGPWGSK-GHMZBOCLSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000191345748 519647344 /nfs/dbraw/zinc/64/73/44/519647344.db2.gz LZIWDPSMGXBUHW-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000190526077 519648984 /nfs/dbraw/zinc/64/89/84/519648984.db2.gz SYDWVIPOMFQPNO-KBPBESRZSA-N 0 0 316.357 0.908 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@H]1C ZINC000153574582 519870910 /nfs/dbraw/zinc/87/09/10/519870910.db2.gz TUTKTADZWIHYFD-GHMZBOCLSA-N 0 0 320.397 0.766 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCOC[C@@H](C)C1 ZINC000365422886 519882906 /nfs/dbraw/zinc/88/29/06/519882906.db2.gz NQEYAHRHCNRCIY-NSHDSACASA-N 0 0 308.382 0.977 10 0 DCAERN CCOCCN1CCN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1CC ZINC000116771903 519911696 /nfs/dbraw/zinc/91/16/96/519911696.db2.gz UNAJHCZTFOUOPS-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000187979323 520194578 /nfs/dbraw/zinc/19/45/78/520194578.db2.gz PZVGSHXNIFOBPC-CHWSQXEVSA-N 0 0 307.398 0.924 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)NCCNC(=O)c1ccccc1 ZINC000189952707 520208645 /nfs/dbraw/zinc/20/86/45/520208645.db2.gz MHBXPWFZAAHGHQ-LBPRGKRZSA-N 0 0 320.393 0.582 10 0 DCAERN CCCCN(C)C(=O)C1CCN(C(=O)Cn2cn[nH]c2=O)CC1 ZINC000157607497 520370355 /nfs/dbraw/zinc/37/03/55/520370355.db2.gz PQUDMODWISEHJX-UHFFFAOYSA-N 0 0 323.397 0.069 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000190313286 520678953 /nfs/dbraw/zinc/67/89/53/520678953.db2.gz CNHNKCDGPZGZNQ-FRRDWIJNSA-N 0 0 319.409 0.904 10 0 DCAERN CC1(CNC(=O)Cn2nnc(-c3ccccc3)n2)OCCCO1 ZINC000191539165 520710538 /nfs/dbraw/zinc/71/05/38/520710538.db2.gz BDPYTHLVFJDTSP-UHFFFAOYSA-N 0 0 317.349 0.609 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000156091026 520766799 /nfs/dbraw/zinc/76/67/99/520766799.db2.gz QKKDQQIBMPFONF-MRVPVSSYSA-N 0 0 321.303 0.892 10 0 DCAERN CCOC(=O)[C@](C)(CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000188942544 521319597 /nfs/dbraw/zinc/31/95/97/521319597.db2.gz KAQIPYJTOFONLZ-YVEFUNNKSA-N 0 0 318.373 0.760 10 0 DCAERN CCN1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1=O ZINC000189881400 521609655 /nfs/dbraw/zinc/60/96/55/521609655.db2.gz BKGRYIUDUKRHOY-LLVKDONJSA-N 0 0 306.370 0.377 10 0 DCAERN CCS(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190591342 521683643 /nfs/dbraw/zinc/68/36/43/521683643.db2.gz JLNGHCYLUWZSGC-LBPRGKRZSA-N 0 0 300.355 0.866 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000267185913 521763158 /nfs/dbraw/zinc/76/31/58/521763158.db2.gz WFTACJQILDHFHE-BJOHPYRUSA-N 0 0 318.381 0.728 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000190878266 522015956 /nfs/dbraw/zinc/01/59/56/522015956.db2.gz NCLABZZEMWUYGX-RYUDHWBXSA-N 0 0 308.378 0.947 10 0 DCAERN COc1cc(C(=O)N(C)[C@@H]2CCOC2)ccc1OCC(N)=O ZINC000263157858 522058665 /nfs/dbraw/zinc/05/86/65/522058665.db2.gz NWCGHXVXBVGVKE-LLVKDONJSA-N 0 0 308.334 0.420 10 0 DCAERN COCCn1ccc(C(=O)N2CCN(CCOC)[C@@H](C)C2)n1 ZINC000189826598 522121678 /nfs/dbraw/zinc/12/16/78/522121678.db2.gz QSPIAMNEHTXIJJ-ZDUSSCGKSA-N 0 0 310.398 0.322 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccco3)CCO2)[nH]1 ZINC000188730345 522140440 /nfs/dbraw/zinc/14/04/40/522140440.db2.gz ZRNIXDORFBCKHY-VIFPVBQESA-N 0 0 312.351 0.722 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000188077962 522193685 /nfs/dbraw/zinc/19/36/85/522193685.db2.gz KLLAISLPKUUFSM-UHFFFAOYSA-N 0 0 320.802 0.426 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NCC2(CCO)CC2)c1 ZINC000157283565 522249209 /nfs/dbraw/zinc/24/92/09/522249209.db2.gz MCNXIRPQHBYQBR-UHFFFAOYSA-N 0 0 313.375 0.914 10 0 DCAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000126738937 522263181 /nfs/dbraw/zinc/26/31/81/522263181.db2.gz ZRBGZRKILQCVEF-NWDGAFQWSA-N 0 0 324.402 0.491 10 0 DCAERN COC(=O)c1cn(C2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)nn1 ZINC000185607210 522307945 /nfs/dbraw/zinc/30/79/45/522307945.db2.gz WFIGKVMHFRVMHP-KOLCDFICSA-N 0 0 307.354 0.820 10 0 DCAERN COc1cc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)ccn1 ZINC000188785882 522417198 /nfs/dbraw/zinc/41/71/98/522417198.db2.gz FDBNZRBPHHVTRE-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnnc2)ncn1 ZINC000132301251 522570210 /nfs/dbraw/zinc/57/02/10/522570210.db2.gz HIWNOPGSQVKMHX-LBPRGKRZSA-N 0 0 313.365 0.707 10 0 DCAERN CCc1nccn1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000158547303 522585061 /nfs/dbraw/zinc/58/50/61/522585061.db2.gz LVNXAHADSHZMJK-UHFFFAOYSA-N 0 0 316.365 0.283 10 0 DCAERN CN(CC1(CO)CC1)C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000189156647 522596380 /nfs/dbraw/zinc/59/63/80/522596380.db2.gz SIQKPSLACCGRBS-UHFFFAOYSA-N 0 0 301.350 0.571 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000135362729 522718787 /nfs/dbraw/zinc/71/87/87/522718787.db2.gz ZFDXPHZWQIKUTB-UHFFFAOYSA-N 0 0 308.382 0.227 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000128040717 522719082 /nfs/dbraw/zinc/71/90/82/522719082.db2.gz VAUJLTJUZNEJEO-QWHCGFSZSA-N 0 0 324.377 0.799 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C/c2ccnc(Cl)c2)C1 ZINC000189180995 522756523 /nfs/dbraw/zinc/75/65/23/522756523.db2.gz QDSGZJWMTOVYHK-NSCUHMNNSA-N 0 0 309.753 0.722 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)Cc2ccccc2F)C1 ZINC000188486483 522758001 /nfs/dbraw/zinc/75/80/01/522758001.db2.gz ZLWUOTKNFOWMEQ-LLVKDONJSA-N 0 0 323.368 0.913 10 0 DCAERN COC(=O)CCCC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000131172918 522955931 /nfs/dbraw/zinc/95/59/31/522955931.db2.gz SERUVDSWPLODAT-LLVKDONJSA-N 0 0 324.381 0.927 10 0 DCAERN CN(CCn1cccn1)C(=O)NCCNC(=O)c1ccccc1 ZINC000111449057 523002548 /nfs/dbraw/zinc/00/25/48/523002548.db2.gz CGHQIISFKWQSMH-UHFFFAOYSA-N 0 0 315.377 0.955 10 0 DCAERN CCn1cc(NC(=O)C(=O)N(C)[C@H](CO)CC(C)C)ccc1=O ZINC000191093346 523403293 /nfs/dbraw/zinc/40/32/93/523403293.db2.gz KJBCKHYRUKRSOO-ZDUSSCGKSA-N 0 0 323.393 0.672 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)CCOC)CCO2)cn1 ZINC000189222433 523481794 /nfs/dbraw/zinc/48/17/94/523481794.db2.gz WDOKUMNZYSRSKB-GFCCVEGCSA-N 0 0 303.384 0.253 10 0 DCAERN COCCCn1c(C)cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c1C ZINC000184716753 523498502 /nfs/dbraw/zinc/49/85/02/523498502.db2.gz NZKUREJJJYLRBT-HUUCEWRRSA-N 0 0 324.421 0.752 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](OC)C2)n(C)n1 ZINC000191291005 523799438 /nfs/dbraw/zinc/79/94/38/523799438.db2.gz MEIDIPXIFOMSEV-JQWIXIFHSA-N 0 0 308.382 0.804 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000189573855 523808950 /nfs/dbraw/zinc/80/89/50/523808950.db2.gz OKAKSBDFXZAJNX-GJZGRUSLSA-N 0 0 316.361 0.766 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000174911939 534742114 /nfs/dbraw/zinc/74/21/14/534742114.db2.gz AEAFPMJTBXMSFQ-UHFFFAOYSA-N 0 0 312.333 0.823 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366029135 524016196 /nfs/dbraw/zinc/01/61/96/524016196.db2.gz ARZMEZGYQYIOLT-SDDRHHMPSA-N 0 0 304.412 0.294 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC1=O ZINC000127842464 524022280 /nfs/dbraw/zinc/02/22/80/524022280.db2.gz JELVUHLIVBJGHP-CHWSQXEVSA-N 0 0 320.397 0.321 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000187954723 524032821 /nfs/dbraw/zinc/03/28/21/524032821.db2.gz PTYJVVJYDZJEAJ-GFCCVEGCSA-N 0 0 304.350 0.915 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC2(CCOC)CCC2)cn1 ZINC000119420298 524076357 /nfs/dbraw/zinc/07/63/57/524076357.db2.gz IHLIUWAKNOOMAR-UHFFFAOYSA-N 0 0 323.397 0.957 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000118674213 524129630 /nfs/dbraw/zinc/12/96/30/524129630.db2.gz QEUKMRCRNJRQOV-GFCCVEGCSA-N 0 0 300.366 0.917 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)C1 ZINC000368794793 524185883 /nfs/dbraw/zinc/18/58/83/524185883.db2.gz KVZMDMYIGVJAOW-TZMCWYRMSA-N 0 0 321.421 0.620 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000192085726 524326020 /nfs/dbraw/zinc/32/60/20/524326020.db2.gz VPSBJCIPYWIZRG-UWVGGRQHSA-N 0 0 319.365 0.140 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000246738263 524554240 /nfs/dbraw/zinc/55/42/40/524554240.db2.gz MSINXOZRVAAVKT-QLFBSQMISA-N 0 0 308.426 0.974 10 0 DCAERN C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CCC1=O ZINC000186577488 524776885 /nfs/dbraw/zinc/77/68/85/524776885.db2.gz YIHWMBMFDJASRJ-GFCCVEGCSA-N 0 0 324.402 0.745 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000271245578 524797448 /nfs/dbraw/zinc/79/74/48/524797448.db2.gz JJKICQAXHMYEJQ-STQMWFEESA-N 0 0 305.382 0.876 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187984281 524940667 /nfs/dbraw/zinc/94/06/67/524940667.db2.gz DQBJWRMTWTYODD-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)C[C@@H](C)O1 ZINC000249784954 525046270 /nfs/dbraw/zinc/04/62/70/525046270.db2.gz MADSKOBIBIKRAX-VEGXAWMVSA-N 0 0 304.412 0.498 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@H](C)CO ZINC000127982836 525049879 /nfs/dbraw/zinc/04/98/79/525049879.db2.gz FQFRYSWIYBZHHP-VXGBXAGGSA-N 0 0 316.361 0.944 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2=O)n(C)n1 ZINC000246030504 525070830 /nfs/dbraw/zinc/07/08/30/525070830.db2.gz NNWNMDNSMUKXDF-FRRDWIJNSA-N 0 0 320.393 0.908 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCCO[C@@H]3C)C2=O)n(C)n1 ZINC000188366272 525093152 /nfs/dbraw/zinc/09/31/52/525093152.db2.gz POBGNWUALZHSFL-UPJWGTAASA-N 0 0 320.393 0.765 10 0 DCAERN C[C@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000155359291 525173390 /nfs/dbraw/zinc/17/33/90/525173390.db2.gz JFMUXFMLKSZALU-FZMZJTMJSA-N 0 0 321.406 0.861 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000116835321 525213090 /nfs/dbraw/zinc/21/30/90/525213090.db2.gz IESPIZODJOLDMC-ZDUSSCGKSA-N 0 0 324.402 0.800 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000368206063 525233688 /nfs/dbraw/zinc/23/36/88/525233688.db2.gz ZMFBARLIGSXUGJ-UMSGYPCISA-N 0 0 318.439 0.802 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCCC[C@H]1C ZINC000154626990 525308623 /nfs/dbraw/zinc/30/86/23/525308623.db2.gz MLUJXDLIQQGPPV-GHMZBOCLSA-N 0 0 320.393 0.643 10 0 DCAERN Cc1n[nH]cc1CCCNc1nccc(N[C@H]2CCCOC2)n1 ZINC000328622272 534850970 /nfs/dbraw/zinc/85/09/70/534850970.db2.gz BBBXQWZVDOYONS-AWEZNQCLSA-N 0 0 316.409 0.988 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C)C3=O)C2)c1 ZINC000163825685 526266197 /nfs/dbraw/zinc/26/61/97/526266197.db2.gz BCAOKWZUXOAHDE-CHWSQXEVSA-N 0 0 305.382 0.769 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CC(NC(=O)C2CCC2)C1 ZINC000189221111 526426003 /nfs/dbraw/zinc/42/60/03/526426003.db2.gz GKCITYZXRNQEBW-UHFFFAOYSA-N 0 0 323.437 0.616 10 0 DCAERN O=C([C@@H]1CCCS1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000266487424 526478187 /nfs/dbraw/zinc/47/81/87/526478187.db2.gz RMVIQKKNLBPZLS-NSHDSACASA-N 0 0 318.406 0.669 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000330858902 526483997 /nfs/dbraw/zinc/48/39/97/526483997.db2.gz TYGZUWWXPGBEMV-LBPRGKRZSA-N 0 0 319.361 0.591 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000247017654 526526123 /nfs/dbraw/zinc/52/61/23/526526123.db2.gz RVYZJSAARWRTQF-YUTCNCBUSA-N 0 0 318.377 0.933 10 0 DCAERN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCO[C@H](CO)C1 ZINC000269160725 526526478 /nfs/dbraw/zinc/52/64/78/526526478.db2.gz XTWNLEKCJYMRRB-JQWIXIFHSA-N 0 0 308.309 0.471 10 0 DCAERN Cc1nc(C(=O)N2CCC(N3CCCC3=O)CC2)c(=O)[nH]c1C ZINC000152797484 526637426 /nfs/dbraw/zinc/63/74/26/526637426.db2.gz PSFZSJMHFMQEGA-UHFFFAOYSA-N 0 0 318.377 0.614 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000176633527 526641211 /nfs/dbraw/zinc/64/12/11/526641211.db2.gz STILJMCOZBIKCS-CABCVRRESA-N 0 0 320.393 0.287 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3nc(C)cs3)CC2)C1 ZINC000175969186 526656858 /nfs/dbraw/zinc/65/68/58/526656858.db2.gz HXZKUUVWJIMSIX-ZDUSSCGKSA-N 0 0 322.434 0.969 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@H](O)C1 ZINC000104244930 526658867 /nfs/dbraw/zinc/65/88/67/526658867.db2.gz NKQFNTCEUFZLRN-JTQLQIEISA-N 0 0 307.741 0.913 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000156050813 526667331 /nfs/dbraw/zinc/66/73/31/526667331.db2.gz RJXZAIHYGMPKRP-VIFPVBQESA-N 0 0 318.786 0.216 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cn2ccccc2n1 ZINC000331804544 526677542 /nfs/dbraw/zinc/67/75/42/526677542.db2.gz MJUPEMHEBKGNRF-GFCCVEGCSA-N 0 0 304.375 0.872 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1(CCO)CCCC1 ZINC000330991954 526679566 /nfs/dbraw/zinc/67/95/66/526679566.db2.gz BAQGKTKELARXPR-LBPRGKRZSA-N 0 0 300.424 0.967 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)sc1C ZINC000366026362 526973612 /nfs/dbraw/zinc/97/36/12/526973612.db2.gz UKNSFVBOGFHWNY-NSHDSACASA-N 0 0 324.406 0.241 10 0 DCAERN O=S(=O)(Cc1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000191086690 527197765 /nfs/dbraw/zinc/19/77/65/527197765.db2.gz YWIAOYZCKPONCI-GHMZBOCLSA-N 0 0 324.807 0.413 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CCN(C)C(=O)C2)c(C(F)(F)F)n1 ZINC000156159798 527212470 /nfs/dbraw/zinc/21/24/70/527212470.db2.gz WBQUQIZKJHLXDX-QMMMGPOBSA-N 0 0 318.299 0.924 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCOC[C@@H](O)C2)c1 ZINC000295657650 527378947 /nfs/dbraw/zinc/37/89/47/527378947.db2.gz QOEGYFQTEKPPNG-LSDHHAIUSA-N 0 0 309.362 0.322 10 0 DCAERN Cn1ccnc(NCc2cnc(N3CCOCC3)c(F)c2)c1=O ZINC000185389805 527417992 /nfs/dbraw/zinc/41/79/92/527417992.db2.gz SVKGKKDFQGKHRQ-UHFFFAOYSA-N 0 0 319.340 0.763 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000158448394 527447610 /nfs/dbraw/zinc/44/76/10/527447610.db2.gz AAWPLXRQUMMJLI-CYBMUJFWSA-N 0 0 316.365 0.555 10 0 DCAERN Cn1cnnc1NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000164082014 527525826 /nfs/dbraw/zinc/52/58/26/527525826.db2.gz JHYZDGDDCQMFDK-JTQLQIEISA-N 0 0 309.395 0.845 10 0 DCAERN O=C(NC1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)C1)C1CC1 ZINC000189394082 527541445 /nfs/dbraw/zinc/54/14/45/527541445.db2.gz OKBYFUYZSYHFNB-OAHLLOKOSA-N 0 0 313.357 0.917 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2cccc(F)c2F)C1)C1CC1 ZINC000187927128 527542777 /nfs/dbraw/zinc/54/27/77/527542777.db2.gz LKWZSBULOJQFDD-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2cc(F)ccc2F)C1)C1CC1 ZINC000187918489 527543509 /nfs/dbraw/zinc/54/35/09/527543509.db2.gz XAKVPVYDKUGEPL-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN Cn1ncc(C(=O)N[C@@H]2CCc3ncnn3C2)c1-n1cccc1 ZINC000112649114 527567631 /nfs/dbraw/zinc/56/76/31/527567631.db2.gz XVRYJLMGWDEHIJ-LLVKDONJSA-N 0 0 311.349 0.547 10 0 DCAERN Cn1nccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104244505 527610482 /nfs/dbraw/zinc/61/04/82/527610482.db2.gz MZTJGMHBMYGIKJ-UHFFFAOYSA-N 0 0 317.740 0.979 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCOCC(F)F ZINC000190965271 527668903 /nfs/dbraw/zinc/66/89/03/527668903.db2.gz MXQJAWIGDLGVSY-UHFFFAOYSA-N 0 0 317.745 0.942 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187651968 527751570 /nfs/dbraw/zinc/75/15/70/527751570.db2.gz HOKUMAQUOSQKAD-OAHLLOKOSA-N 0 0 315.458 0.164 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188699167 528000233 /nfs/dbraw/zinc/00/02/33/528000233.db2.gz WZVAGHCAZYXTBE-AWEZNQCLSA-N 0 0 313.442 0.550 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000178716828 528019399 /nfs/dbraw/zinc/01/93/99/528019399.db2.gz BNQHENJLSWQNGJ-MNOVXSKESA-N 0 0 312.414 0.492 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(c2nccnc2OC(C)C)C1 ZINC000302152728 528375274 /nfs/dbraw/zinc/37/52/74/528375274.db2.gz MHPXHLYHGITZPB-NSHDSACASA-N 0 0 314.411 0.782 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000162974957 528403199 /nfs/dbraw/zinc/40/31/99/528403199.db2.gz BJYCCJJDFWXFDT-VXGBXAGGSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000184506553 528452803 /nfs/dbraw/zinc/45/28/03/528452803.db2.gz WUVNMNMCXLXKHT-AWEZNQCLSA-N 0 0 323.437 0.962 10 0 DCAERN CC(C)[C@@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174439141 528874200 /nfs/dbraw/zinc/87/42/00/528874200.db2.gz YZYGQTXETJEYJV-INIZCTEOSA-N 0 0 319.361 0.213 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC12COC2 ZINC000457812884 535566812 /nfs/dbraw/zinc/56/68/12/535566812.db2.gz JSCYQMDPFVSDLX-NDBYEHHHSA-N 0 0 309.362 0.592 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)[C@@H](C)OC)CC12COC2 ZINC000454824535 535668666 /nfs/dbraw/zinc/66/86/66/535668666.db2.gz KLVRFMZOAIHNTQ-QJPTWQEYSA-N 0 0 314.382 0.631 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCO[C@H](C(=O)OC)C2)c1 ZINC000457510648 536879313 /nfs/dbraw/zinc/87/93/13/536879313.db2.gz CFIITZARYRGDCZ-ZDUSSCGKSA-N 0 0 321.329 0.796 10 0 DCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NC1CC1 ZINC000073103128 545664952 /nfs/dbraw/zinc/66/49/52/545664952.db2.gz PUNGGVVIOVUKDK-VIFPVBQESA-N 0 0 309.391 0.364 10 0 DCAERN Cn1nc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1=O ZINC000076248934 545676291 /nfs/dbraw/zinc/67/62/91/545676291.db2.gz FBDRXFPRZFNWOY-NEPJUHHUSA-N 0 0 323.418 0.907 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000091782823 545720113 /nfs/dbraw/zinc/72/01/13/545720113.db2.gz WGPWGZKPJDPUHW-CYBMUJFWSA-N 0 0 305.309 0.562 10 0 DCAERN COCc1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000097286406 545729464 /nfs/dbraw/zinc/72/94/64/545729464.db2.gz LIOOFBSYFZFBRZ-SNVBAGLBSA-N 0 0 316.379 0.580 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(CCn2cccn2)CC1 ZINC000103491621 545732063 /nfs/dbraw/zinc/73/20/63/545732063.db2.gz FCHCQSKUIUHIRD-HNNXBMFYSA-N 0 0 319.453 0.948 10 0 DCAERN NC(=O)C1(NC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000119644083 545740030 /nfs/dbraw/zinc/74/00/30/545740030.db2.gz SGLQWFOQRHIIMV-UHFFFAOYSA-N 0 0 305.309 0.700 10 0 DCAERN O=C1CCN(C[C@H](O)CN2CCOCC2)c2ccccc2N1 ZINC000121980159 545749444 /nfs/dbraw/zinc/74/94/44/545749444.db2.gz GNSPOYWWNVWDAZ-CYBMUJFWSA-N 0 0 305.378 0.528 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000122394244 545751290 /nfs/dbraw/zinc/75/12/90/545751290.db2.gz WJRLUNLSFOWPTF-STQMWFEESA-N 0 0 314.411 0.814 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1CCCC[C@H]1CO ZINC000130052118 545785037 /nfs/dbraw/zinc/78/50/37/545785037.db2.gz UUFMMJACZLSCDE-STQMWFEESA-N 0 0 318.439 0.662 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)NC[C@H]1CCCC[C@H]1O ZINC000130044632 545786152 /nfs/dbraw/zinc/78/61/52/545786152.db2.gz WHWJGLCMOSXNCA-CHWSQXEVSA-N 0 0 318.439 0.662 10 0 DCAERN COCCC1(C(=O)NC[C@@H](O)CN2CCOCC2)CCC1 ZINC000132901150 545794985 /nfs/dbraw/zinc/79/49/85/545794985.db2.gz OMSVIIOSXAUPHT-CYBMUJFWSA-N 0 0 300.399 0.003 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3CCC(=O)N(C)C3)no2)c1 ZINC000152781732 545829961 /nfs/dbraw/zinc/82/99/61/545829961.db2.gz LRLIVLDOLCAVQM-NSHDSACASA-N 0 0 317.349 0.578 10 0 DCAERN COC1(CNC(=O)c2cnn3ccc(C)nc23)CCOCC1 ZINC000154831064 545839369 /nfs/dbraw/zinc/83/93/69/545839369.db2.gz SXAOWLLBNNZRRB-UHFFFAOYSA-N 0 0 304.350 0.963 10 0 DCAERN O=C(NCCc1nccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173797546 545883918 /nfs/dbraw/zinc/88/39/18/545883918.db2.gz ZSRJUGBEDABLFW-GFCCVEGCSA-N 0 0 310.423 0.802 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000174061857 545884729 /nfs/dbraw/zinc/88/47/29/545884729.db2.gz WCPACEJUBZNGGJ-NSHDSACASA-N 0 0 301.346 0.773 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(C)C ZINC000179069245 545898128 /nfs/dbraw/zinc/89/81/28/545898128.db2.gz LINOHWCDUWZTRR-CYBMUJFWSA-N 0 0 319.365 0.728 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cnn(CC2CC2)c1 ZINC000179886351 545900294 /nfs/dbraw/zinc/90/02/94/545900294.db2.gz HVAVYRJOGYISKZ-CQSZACIVSA-N 0 0 323.397 0.108 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)NCCCn3ccnn3)C2)n1 ZINC000183519442 545907988 /nfs/dbraw/zinc/90/79/88/545907988.db2.gz OBOPMHQKMGNQEJ-LBPRGKRZSA-N 0 0 319.369 0.949 10 0 DCAERN COc1cc(N2CCN(CC(=O)N(C)C3CC3)CC2)ncn1 ZINC000184075532 545909270 /nfs/dbraw/zinc/90/92/70/545909270.db2.gz KMHJGENTGYFDPN-UHFFFAOYSA-N 0 0 305.382 0.228 10 0 DCAERN CCc1cc(NC(=O)c2ccc(S(=O)(=O)NC)nc2)n[nH]1 ZINC000184466166 545911044 /nfs/dbraw/zinc/91/10/44/545911044.db2.gz BHVUCEWXCHTZLF-UHFFFAOYSA-N 0 0 309.351 0.528 10 0 DCAERN CC(C)c1ccnc(N2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)n1 ZINC000186497574 545913247 /nfs/dbraw/zinc/91/32/47/545913247.db2.gz QSPPASALEPHICS-LLVKDONJSA-N 0 0 320.397 0.305 10 0 DCAERN CCOc1cnc(C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000189145393 545919330 /nfs/dbraw/zinc/91/93/30/545919330.db2.gz HTYNAJRCASVOOI-LLVKDONJSA-N 0 0 302.338 0.944 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246056191 545962797 /nfs/dbraw/zinc/96/27/97/545962797.db2.gz VLDASZVYBHUVSU-GRYCIOLGSA-N 0 0 304.412 0.519 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510627 545993799 /nfs/dbraw/zinc/99/37/99/545993799.db2.gz AXOCGFKKVHTHIK-WFASDCNBSA-N 0 0 322.434 0.377 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284800691 546000791 /nfs/dbraw/zinc/00/07/91/546000791.db2.gz IAPSRQWLSUKPCU-HNNXBMFYSA-N 0 0 318.381 0.792 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](C)C1=O ZINC000329597823 546051776 /nfs/dbraw/zinc/05/17/76/546051776.db2.gz WHBJXOHEGZCXRK-ZQDZILKHSA-N 0 0 324.421 0.753 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccccn2n1 ZINC000330122135 546056386 /nfs/dbraw/zinc/05/63/86/546056386.db2.gz HENFSZLYIWLUIK-ZWNOBZJWSA-N 0 0 312.333 1.179 10 0 DCAERN Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(=O)n1C ZINC000333006784 546068859 /nfs/dbraw/zinc/06/88/59/546068859.db2.gz OTOIDCAZWVMCPV-MELADBBJSA-N 0 0 305.378 0.606 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000398522481 546224254 /nfs/dbraw/zinc/22/42/54/546224254.db2.gz SGAYPWDGTVJRLK-MRVPVSSYSA-N 0 0 301.343 0.165 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000401906631 546226118 /nfs/dbraw/zinc/22/61/18/546226118.db2.gz UDXWMOYLFAKPNV-OLZOCXBDSA-N 0 0 306.428 0.579 10 0 DCAERN O=C1CC2(CN(c3ccc(C(F)(F)F)cn3)C2)NCCN1 ZINC000606445124 546310627 /nfs/dbraw/zinc/31/06/27/546310627.db2.gz LDSQICULKHHUSU-UHFFFAOYSA-N 0 0 300.284 0.769 10 0 DCAERN CCOC(=O)[C@H](C)n1cc(C2(S(N)(=O)=O)CCC2)nn1 ZINC000725241689 548748923 /nfs/dbraw/zinc/74/89/23/548748923.db2.gz MQRAJSYYDXRQEV-QMMMGPOBSA-N 0 0 302.356 0.070 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)C2CCC(=O)CC2)C1=O ZINC000722352931 660922947 /nfs/dbraw/zinc/92/29/47/660922947.db2.gz IKLXRSJTOAKGBC-GFCCVEGCSA-N 0 0 302.396 0.428 10 0 DCAERN Cc1ncc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(C)n1 ZINC000888093517 661158383 /nfs/dbraw/zinc/15/83/83/661158383.db2.gz BISRCENFBQKCNZ-UONOGXRCSA-N 0 0 317.349 0.403 10 0 DCAERN Cc1cncn1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888094897 661160975 /nfs/dbraw/zinc/16/09/75/661160975.db2.gz FSTPSHHINLXIOQ-ZOWXZIJZSA-N 0 0 306.366 0.134 10 0 DCAERN CC/C(C)=C(/C)C(=O)N1CC(N2C[C@H](C(=O)NC)CC2=O)C1 ZINC000888105398 661222031 /nfs/dbraw/zinc/22/20/31/661222031.db2.gz MXGSFTBWXLPJGY-NLYDNYMLSA-N 0 0 307.394 0.538 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccccc2F)CCC1 ZINC000721523425 657558622 /nfs/dbraw/zinc/55/86/22/657558622.db2.gz VDYWMMXLIIFQML-UHFFFAOYSA-N 0 0 300.355 0.696 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000178227053 657591335 /nfs/dbraw/zinc/59/13/35/657591335.db2.gz LYXJRRDVMXAQLL-SNVBAGLBSA-N 0 0 302.400 0.631 10 0 DCAERN CC1CCC(N(C)C(=O)C[C@@H]2CNCCS2(=O)=O)CC1 ZINC000725019027 658022095 /nfs/dbraw/zinc/02/20/95/658022095.db2.gz VMSJBLZYQOYHHJ-WXRRBKDZSA-N 0 0 302.440 0.800 10 0 DCAERN CCN(C(=O)C[C@@H]1CNCCS1(=O)=O)C1CCCCC1 ZINC000725015904 658024080 /nfs/dbraw/zinc/02/40/80/658024080.db2.gz AAVFMMLLEXUYFG-CYBMUJFWSA-N 0 0 302.440 0.944 10 0 DCAERN CCS(=O)(=O)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000052958711 658046159 /nfs/dbraw/zinc/04/61/59/658046159.db2.gz QVDCXNOPBOPEBF-UHFFFAOYSA-N 0 0 310.375 0.952 10 0 DCAERN O=C(CN1CCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000160719877 658370497 /nfs/dbraw/zinc/37/04/97/658370497.db2.gz MLTADDRALAWSHX-ZIAGYGMSSA-N 0 0 310.394 0.605 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC(C)(CO)CO ZINC000255862796 658716569 /nfs/dbraw/zinc/71/65/69/658716569.db2.gz RHOXOKWQLSNSRH-LBPRGKRZSA-N 0 0 324.425 0.137 10 0 DCAERN CCCCN(C(=O)C[C@@H](N)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000724722457 658930221 /nfs/dbraw/zinc/93/02/21/658930221.db2.gz VVJYUFNEVUEVSS-NXEZZACHSA-N 0 0 312.382 0.785 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CCS(=O)(=O)C(C)C)CCO2)c1 ZINC000178223896 659147203 /nfs/dbraw/zinc/14/72/03/659147203.db2.gz DCICHCZWQYAGFP-AWEZNQCLSA-N 0 0 315.439 0.716 10 0 DCAERN C[C@@H]1CC(OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000184322664 659218162 /nfs/dbraw/zinc/21/81/62/659218162.db2.gz BCXXJBBEPFCAOM-NIZIMGAVSA-N 0 0 322.361 0.596 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000189124052 659356821 /nfs/dbraw/zinc/35/68/21/659356821.db2.gz HUJCXIJKXZJMMX-QWHCGFSZSA-N 0 0 308.382 0.837 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@](O)(CO)C1 ZINC000314318707 659604979 /nfs/dbraw/zinc/60/49/79/659604979.db2.gz DXVBUCOILLXVKV-LLVKDONJSA-N 0 0 306.771 0.243 10 0 DCAERN O=C(N[C@H]1COc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000332885815 659766928 /nfs/dbraw/zinc/76/69/28/659766928.db2.gz WHPPFMQPQWJLHN-JSGCOSHPSA-N 0 0 303.362 0.846 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)C[C@@H]1C ZINC000095016651 661317775 /nfs/dbraw/zinc/31/77/75/661317775.db2.gz GJEMXZNZYNSNET-GZMMTYOYSA-N 0 0 315.395 0.467 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1C ZINC000095016554 661317920 /nfs/dbraw/zinc/31/79/20/661317920.db2.gz NRYPDAILGWHBEB-OIBJUYFYSA-N 0 0 302.352 0.721 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc(-c3cccc(F)c3)no2)C1 ZINC000126124247 661451417 /nfs/dbraw/zinc/45/14/17/661451417.db2.gz FIBRISSUUAQXQA-LLVKDONJSA-N 0 0 311.338 0.805 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)C(C)C ZINC000178726439 661519828 /nfs/dbraw/zinc/51/98/28/661519828.db2.gz SAHBLHABYIPLGH-CYBMUJFWSA-N 0 0 319.340 0.907 10 0 DCAERN COC[C@@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@H](C)O1 ZINC000249948446 661558466 /nfs/dbraw/zinc/55/84/66/661558466.db2.gz USSCINHQBDHHEL-IGQOVBAYSA-N 0 0 308.378 0.631 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000726461248 661659104 /nfs/dbraw/zinc/65/91/04/661659104.db2.gz XWLJEJAJXNVBPR-MWLCHTKSSA-N 0 0 313.448 0.954 10 0 DCAERN O=C(Nc1cn(Cc2ccccc2)nn1)C1(O)CCOCC1 ZINC000333309038 661853619 /nfs/dbraw/zinc/85/36/19/661853619.db2.gz NCQPGBXVTQSTEZ-UHFFFAOYSA-N 0 0 302.334 0.806 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCC(F)(F)F)c2=O ZINC000126673918 662008827 /nfs/dbraw/zinc/00/88/27/662008827.db2.gz NUZBIMSQJPAJCE-UHFFFAOYSA-N 0 0 304.228 0.626 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)c1cnn(C)c1I ZINC000306671193 662021766 /nfs/dbraw/zinc/02/17/66/662021766.db2.gz FUPGJPVFDNBZMO-PHDIDXHHSA-N 0 0 323.134 0.524 10 0 DCAERN COC[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1 ZINC000727856854 662256341 /nfs/dbraw/zinc/25/63/41/662256341.db2.gz GTLKMHKOPCQZGB-CYBMUJFWSA-N 0 0 317.345 0.431 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)CN(c2ccccc2)C1=O ZINC000728709574 662413260 /nfs/dbraw/zinc/41/32/60/662413260.db2.gz RFODXRNBEDSDMJ-UHFFFAOYSA-N 0 0 305.334 0.908 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)NCCCn1ccnn1 ZINC000182677365 665870010 /nfs/dbraw/zinc/87/00/10/665870010.db2.gz VMCVVJDAFDLCRS-UHFFFAOYSA-N 0 0 317.415 0.181 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCC(=O)OC(C)C)c1 ZINC000729383349 662790984 /nfs/dbraw/zinc/79/09/84/662790984.db2.gz SMVMPVWXUZUSRI-UHFFFAOYSA-N 0 0 314.363 0.276 10 0 DCAERN CC(=O)N[C@H]1CCCN(c2nnnn2Cc2ccccc2)C1 ZINC000929059258 662805008 /nfs/dbraw/zinc/80/50/08/662805008.db2.gz PMDJPQMHEFDUFI-AWEZNQCLSA-N 0 0 300.366 0.826 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729699551 662907536 /nfs/dbraw/zinc/90/75/36/662907536.db2.gz SQVXHRBBSBEIPN-ZDUSSCGKSA-N 0 0 309.366 0.876 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N[C@@H]1COC[C@H]1O ZINC000323091640 662988080 /nfs/dbraw/zinc/98/80/80/662988080.db2.gz YODRKFYZQHHVGY-GKKDLHFNSA-N 0 0 303.767 0.990 10 0 DCAERN Cc1noc([C@H](C)N2CCN(Cn3ncn(C)c3=S)CC2)n1 ZINC000152641830 663059219 /nfs/dbraw/zinc/05/92/19/663059219.db2.gz MSKHJFLTFNBOAR-JTQLQIEISA-N 0 0 323.426 0.979 10 0 DCAERN C=CCNC(=S)NNC(=O)CNC(=O)c1ccccc1C ZINC000041960836 663092053 /nfs/dbraw/zinc/09/20/53/663092053.db2.gz RPMBAFQPCPSIND-UHFFFAOYSA-N 0 0 306.391 0.406 10 0 DCAERN COC(=O)c1cn(CN2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000042080992 663107857 /nfs/dbraw/zinc/10/78/57/663107857.db2.gz MVZMHZPMPMBBIQ-UHFFFAOYSA-N 0 0 319.340 0.984 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000346509354 663202541 /nfs/dbraw/zinc/20/25/41/663202541.db2.gz OLGFPUNSPFMVMM-NXEZZACHSA-N 0 0 300.380 0.436 10 0 DCAERN CN(C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O)[C@@H]1CCN(C)C1=O ZINC000900782212 663279621 /nfs/dbraw/zinc/27/96/21/663279621.db2.gz JFMLEJSPYCUKGF-FGNRJIRKSA-N 0 0 310.419 0.634 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900939614 663295798 /nfs/dbraw/zinc/29/57/98/663295798.db2.gz AJXKQCATVIOMIS-ZETOZRRWSA-N 0 0 300.399 0.630 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCCCN2C(=O)CCC2=O)[nH]1 ZINC000435683327 663297050 /nfs/dbraw/zinc/29/70/50/663297050.db2.gz QGHBNIDOKKBHSE-UHFFFAOYSA-N 0 0 315.333 0.535 10 0 DCAERN COC(=O)CC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000907563413 663705325 /nfs/dbraw/zinc/70/53/25/663705325.db2.gz LKIAYBKTEUGJNW-LLVKDONJSA-N 0 0 308.338 0.006 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)CC1=O ZINC000909159707 663782572 /nfs/dbraw/zinc/78/25/72/663782572.db2.gz OZVYZBGGEXJBEV-HKUMRIAESA-N 0 0 320.393 0.321 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c(O)c1 ZINC000909158381 663782626 /nfs/dbraw/zinc/78/26/26/663782626.db2.gz BRSLEZYVEAUQDL-BNOWGMLFSA-N 0 0 303.318 0.702 10 0 DCAERN CN(C)c1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)ccn1 ZINC000909162507 663784892 /nfs/dbraw/zinc/78/48/92/663784892.db2.gz WEWYNMANSCAGHK-MBNYWOFBSA-N 0 0 301.350 0.448 10 0 DCAERN CCNc1ncc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)s1 ZINC000909189797 663786084 /nfs/dbraw/zinc/78/60/84/663786084.db2.gz LFJFTAYGGFNDGE-KKZNHRDASA-N 0 0 307.379 0.876 10 0 DCAERN CCO[C@@]1(C(=O)NCCN=S2(=O)CCCC2)CCOC1 ZINC000912042786 664137603 /nfs/dbraw/zinc/13/76/03/664137603.db2.gz VTVFMLRCIGMNQM-ZDUSSCGKSA-N 0 0 304.412 0.560 10 0 DCAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CCOC[C@H]1CO ZINC000912427351 664175031 /nfs/dbraw/zinc/17/50/31/664175031.db2.gz JHPWUVYQWFOZFJ-LLVKDONJSA-N 0 0 323.374 0.950 10 0 DCAERN CN1CC[C@@](C)(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000912940114 664247388 /nfs/dbraw/zinc/24/73/88/664247388.db2.gz GGFFAFSFIQJTDB-MLGOLLRUSA-N 0 0 317.393 0.797 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1 ZINC000168676991 664529458 /nfs/dbraw/zinc/52/94/58/664529458.db2.gz RMGAZCSSXKDGMZ-GFCCVEGCSA-N 0 0 314.363 0.027 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N2CCOC[C@H]2CO)c1 ZINC000168675059 664529509 /nfs/dbraw/zinc/52/95/09/664529509.db2.gz DYSPMWQZCYQJJU-SNVBAGLBSA-N 0 0 317.363 0.086 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1C ZINC000228065038 664544375 /nfs/dbraw/zinc/54/43/75/664544375.db2.gz RQIVPTUZLPFBEQ-JGVFFNPUSA-N 0 0 321.786 0.503 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)c1 ZINC000171608448 664610565 /nfs/dbraw/zinc/61/05/65/664610565.db2.gz HDKOSZBBHIJDRS-CABCVRRESA-N 0 0 322.409 0.140 10 0 DCAERN CCCn1cc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000174107221 664636188 /nfs/dbraw/zinc/63/61/88/664636188.db2.gz JAQAJKFBFDEPEO-SNVBAGLBSA-N 0 0 315.399 0.449 10 0 DCAERN CCCn1cc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000174107208 664636206 /nfs/dbraw/zinc/63/62/06/664636206.db2.gz JAQAJKFBFDEPEO-JTQLQIEISA-N 0 0 315.399 0.449 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCC[C@@H](C)C1 ZINC000730307272 664681870 /nfs/dbraw/zinc/68/18/70/664681870.db2.gz BEWZLAAVQORAIK-ZYHUDNBSSA-N 0 0 314.407 0.710 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCCn1c(C)csc1=O ZINC000730307850 664682097 /nfs/dbraw/zinc/68/20/97/664682097.db2.gz ADXCKMJLYHALGK-SNVBAGLBSA-N 0 0 316.404 0.683 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1c(Cl)nc2ccccn21 ZINC000152167350 664737994 /nfs/dbraw/zinc/73/79/94/664737994.db2.gz AGKWABMRPJPYDY-ZETCQYMHSA-N 0 0 306.709 0.523 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@@H](c3nccs3)C2)nn1 ZINC000152240047 664741703 /nfs/dbraw/zinc/74/17/03/664741703.db2.gz YIQOQUUAOTZSCM-SNVBAGLBSA-N 0 0 309.351 0.552 10 0 DCAERN CCN1C(=S)N=NC1CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000152867705 664776981 /nfs/dbraw/zinc/77/69/81/664776981.db2.gz CPDULZILIQBYNJ-UHFFFAOYSA-N 0 0 322.394 0.259 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730635822 664798727 /nfs/dbraw/zinc/79/87/27/664798727.db2.gz CRGNMBHPGYOWCD-SECBINFHSA-N 0 0 304.306 0.424 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730635825 664798752 /nfs/dbraw/zinc/79/87/52/664798752.db2.gz CRGNMBHPGYOWCD-VIFPVBQESA-N 0 0 304.306 0.424 10 0 DCAERN CCCCCCOCC(=O)NCC(=O)N1CCN(CC)CC1 ZINC000730841495 664819319 /nfs/dbraw/zinc/81/93/19/664819319.db2.gz BKGWKJHGBZGJCX-UHFFFAOYSA-N 0 0 313.442 0.864 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CNC(=O)N2)cc1 ZINC000732359756 664918113 /nfs/dbraw/zinc/91/81/13/664918113.db2.gz BJQGVAOQSVCSMA-JOYOIKCWSA-N 0 0 319.317 0.441 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CNC(=O)N2)c1 ZINC000732361297 664919968 /nfs/dbraw/zinc/91/99/68/664919968.db2.gz KLMKPYZFLHGUMT-CABZTGNLSA-N 0 0 319.317 0.441 10 0 DCAERN C[C@H](OC(=O)Cn1ncn(C)c1=O)c1nc2ccccc2[nH]1 ZINC000154064084 665072575 /nfs/dbraw/zinc/07/25/75/665072575.db2.gz XOSDMNRQJDGNSO-VIFPVBQESA-N 0 0 301.306 0.763 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182530 665315679 /nfs/dbraw/zinc/31/56/79/665315679.db2.gz XVQDIUJSMXIFBA-HUUCEWRRSA-N 0 0 324.421 0.899 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CC[C@H](O)c2ccccc21 ZINC000071379071 666058435 /nfs/dbraw/zinc/05/84/35/666058435.db2.gz GQXYOASDNJMTDC-LBPRGKRZSA-N 0 0 319.404 0.305 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCOC[C@H]1CCOC1 ZINC000354136213 666152942 /nfs/dbraw/zinc/15/29/42/666152942.db2.gz HNYQDXNNKWXISY-CHWSQXEVSA-N 0 0 316.423 0.467 10 0 DCAERN O=C1c2ccccc2N(CN2CCO[C@]3(CCOC3)C2)C1=O ZINC000184290472 666194370 /nfs/dbraw/zinc/19/43/70/666194370.db2.gz JFYJKZIFAKBUCU-MRXNPFEDSA-N 0 0 302.330 0.665 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000081567720 666280953 /nfs/dbraw/zinc/28/09/53/666280953.db2.gz IJTHMRKLAJRRJI-RYUDHWBXSA-N 0 0 300.399 0.896 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1ncsc1Br ZINC000700142457 666685757 /nfs/dbraw/zinc/68/57/57/666685757.db2.gz CZQOVXLBRHXXHI-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cncc(Br)c2)C1 ZINC000700724615 666754937 /nfs/dbraw/zinc/75/49/37/666754937.db2.gz OYPIEDOKEXPICU-NXEZZACHSA-N 0 0 321.196 0.092 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN(C)C(=O)c1cccs1 ZINC000733881191 666823594 /nfs/dbraw/zinc/82/35/94/666823594.db2.gz CJLCEFNEWCYWLS-LJQANCHMSA-N 0 0 302.421 0.705 10 0 DCAERN CC[S@](=O)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000733883299 666824248 /nfs/dbraw/zinc/82/42/48/666824248.db2.gz YZAXUQMFSABEBN-NRFANRHFSA-N 0 0 307.379 0.090 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC000701253120 666824741 /nfs/dbraw/zinc/82/47/41/666824741.db2.gz AWXVHCRDFWSWHA-GFCCVEGCSA-N 0 0 304.346 0.780 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000733961424 666832185 /nfs/dbraw/zinc/83/21/85/666832185.db2.gz SYMBLQKQRDYTNT-QFIPXVFZSA-N 0 0 323.422 0.925 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)NCCCc1ccccc1 ZINC000733959562 666832251 /nfs/dbraw/zinc/83/22/51/666832251.db2.gz MLPPDRKZBDBYKQ-OAQYLSRUSA-N 0 0 310.419 0.620 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000733964687 666833031 /nfs/dbraw/zinc/83/30/31/666833031.db2.gz SZLKXWFJWCPIPE-BIBXISHDSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000733966128 666833165 /nfs/dbraw/zinc/83/31/65/666833165.db2.gz OHKDINJGXDELBP-FFVOIRBGSA-N 0 0 317.440 0.373 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000734358823 666871552 /nfs/dbraw/zinc/87/15/52/666871552.db2.gz XCNRDKLTOWAKNW-NRFANRHFSA-N 0 0 318.345 0.579 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccnn2)C1 ZINC000701795609 666877468 /nfs/dbraw/zinc/87/74/68/666877468.db2.gz NEBGTNARGDJIQY-PWSUYJOCSA-N 0 0 322.365 0.434 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cccc2c1COC2=O ZINC000735081525 666948591 /nfs/dbraw/zinc/94/85/91/666948591.db2.gz SGWKDECVVNTKIH-LJQANCHMSA-N 0 0 317.388 0.404 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)Cc1cccc(C(N)=O)c1 ZINC000735113084 666954589 /nfs/dbraw/zinc/95/45/89/666954589.db2.gz SJBHMMZWQAUAKM-NRFANRHFSA-N 0 0 311.407 0.696 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000702813691 666998730 /nfs/dbraw/zinc/99/87/30/666998730.db2.gz IMWMWJRPOUBLOE-ONGXEEELSA-N 0 0 311.338 0.632 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccnnc2)[C@H](O)C1 ZINC000702821259 667000459 /nfs/dbraw/zinc/00/04/59/667000459.db2.gz YBLBMIQPUDJWQM-VXGBXAGGSA-N 0 0 322.365 0.434 10 0 DCAERN CCCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702842696 667010323 /nfs/dbraw/zinc/01/03/23/667010323.db2.gz OXIQZJIITGDWOR-GHMZBOCLSA-N 0 0 322.427 0.544 10 0 DCAERN C[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)CC1(C)OCCO1 ZINC000120208404 667280826 /nfs/dbraw/zinc/28/08/26/667280826.db2.gz MWEOJWBJHUGPIC-SNVBAGLBSA-N 0 0 309.366 0.643 10 0 DCAERN CNC(=O)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000121007126 667371731 /nfs/dbraw/zinc/37/17/31/667371731.db2.gz SJJZXTFPTPDQSI-UHFFFAOYSA-N 0 0 321.352 0.813 10 0 DCAERN Cn1nccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705779441 667375790 /nfs/dbraw/zinc/37/57/90/667375790.db2.gz NEGUXHVNZOONCI-ZYHUDNBSSA-N 0 0 324.381 0.378 10 0 DCAERN Cn1nccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705779433 667375862 /nfs/dbraw/zinc/37/58/62/667375862.db2.gz NEGUXHVNZOONCI-JQWIXIFHSA-N 0 0 324.381 0.378 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccnc(Br)c1 ZINC000706798386 667423608 /nfs/dbraw/zinc/42/36/08/667423608.db2.gz DZRMBFRHWLVFOK-IUCAKERBSA-N 0 0 301.140 0.724 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1ccnc(F)c1F ZINC000708241027 667442527 /nfs/dbraw/zinc/44/25/27/667442527.db2.gz DTPKLPITUYJQTD-UHFFFAOYSA-N 0 0 307.322 0.417 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)C1=O ZINC000709121139 667444064 /nfs/dbraw/zinc/44/40/64/667444064.db2.gz UJYQLYGZATUAIW-VIFPVBQESA-N 0 0 321.761 0.773 10 0 DCAERN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC(CO)CC1 ZINC000710040600 667445845 /nfs/dbraw/zinc/44/58/45/667445845.db2.gz CLFSNIRECLLWTK-GOSISDBHSA-N 0 0 312.457 0.832 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188707730 667456513 /nfs/dbraw/zinc/45/65/13/667456513.db2.gz XGXQARPRCVEQSL-SNVBAGLBSA-N 0 0 314.817 0.775 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(O)cc(Br)c1 ZINC000717298734 667542678 /nfs/dbraw/zinc/54/26/78/667542678.db2.gz MYQGGKYNYQFBDI-LDWIPMOCSA-N 0 0 304.140 0.626 10 0 DCAERN C[C@@H](CC(N)=O)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000135103134 667570041 /nfs/dbraw/zinc/57/00/41/667570041.db2.gz ZICFUJFNOHRIHD-ZETCQYMHSA-N 0 0 316.770 0.530 10 0 DCAERN CC(=O)CCN(C)C(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000135198176 667576824 /nfs/dbraw/zinc/57/68/24/667576824.db2.gz LDAKCTDFFZTZIK-UHFFFAOYSA-N 0 0 318.377 0.858 10 0 DCAERN C[C@@H]1CCN(C(=O)c2c(Br)nnn2C)CCO1 ZINC000720431059 667614960 /nfs/dbraw/zinc/61/49/60/667614960.db2.gz REMHNMJYVVENQP-SSDOTTSWSA-N 0 0 303.160 0.829 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000717324484 667624740 /nfs/dbraw/zinc/62/47/40/667624740.db2.gz VJYPXVGLANNPJT-ZETCQYMHSA-N 0 0 301.290 0.618 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ncnc(N)c3Cl)C[C@@H]21 ZINC000886035968 667726425 /nfs/dbraw/zinc/72/64/25/667726425.db2.gz VUQWASRFNAGDNB-VHSXEESVSA-N 0 0 311.773 0.538 10 0 DCAERN CCn1cc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC000886071732 667728774 /nfs/dbraw/zinc/72/87/74/667728774.db2.gz BTCKOHGENWTPRG-HNNXBMFYSA-N 0 0 308.382 0.264 10 0 DCAERN CCc1nnc(N2CC[C@](O)(Cn3ccnn3)C2)nc1CC ZINC000886081900 667730025 /nfs/dbraw/zinc/73/00/25/667730025.db2.gz CUPRMECQYQWOQM-CQSZACIVSA-N 0 0 303.370 0.229 10 0 DCAERN Cc1nnc([C@H]2CCCN(C(=O)CN3CCOCC3=O)[C@H]2C)o1 ZINC000886084960 667730129 /nfs/dbraw/zinc/73/01/29/667730129.db2.gz OGXDOMPGFQHHFC-JQWIXIFHSA-N 0 0 322.365 0.331 10 0 DCAERN CN(C(=O)c1ccncc1F)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886093695 667731319 /nfs/dbraw/zinc/73/13/19/667731319.db2.gz BMMOQAUAVWXELL-UONOGXRCSA-N 0 0 320.324 0.873 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)CCc2ccco2)C1 ZINC000886095334 667731521 /nfs/dbraw/zinc/73/15/21/667731521.db2.gz SEMVSLIENPEKRV-INIZCTEOSA-N 0 0 318.377 0.937 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCOC[C@H]1CCOC1 ZINC000740917272 667754348 /nfs/dbraw/zinc/75/43/48/667754348.db2.gz MYUVKGUKQSSOJV-ODXCJYRJSA-N 0 0 306.428 0.497 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](C)Cn1ccnc1C ZINC000741083049 667758023 /nfs/dbraw/zinc/75/80/23/667758023.db2.gz RSTPAVQTJBBGMV-BIBXISHDSA-N 0 0 300.428 0.895 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000741416934 667770247 /nfs/dbraw/zinc/77/02/47/667770247.db2.gz JDMHWBBLXUWPOJ-MPBGBICISA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000741424306 667771095 /nfs/dbraw/zinc/77/10/95/667771095.db2.gz KYBMRPZDVAUHPY-RLBGWGEZSA-N 0 0 302.318 0.728 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@@H](O)[C@@H](C)O ZINC000717414151 667789768 /nfs/dbraw/zinc/78/97/68/667789768.db2.gz TZHYKTCCAUPICE-GMSGAONNSA-N 0 0 318.167 0.929 10 0 DCAERN N=C1NC(=O)C(CC(=O)NCC(=O)NC2CCCCC2)S1 ZINC000742594588 667794744 /nfs/dbraw/zinc/79/47/44/667794744.db2.gz CNGDVGBETXFIAP-VIFPVBQESA-N 0 0 312.395 0.108 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000134033701 668165753 /nfs/dbraw/zinc/16/57/53/668165753.db2.gz UWMJQCIJFSPUAQ-QMMMGPOBSA-N 0 0 319.770 0.854 10 0 DCAERN CC(C)N(C)S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000125781251 668423112 /nfs/dbraw/zinc/42/31/12/668423112.db2.gz ISRDFFOCOUHAFX-UHFFFAOYSA-N 0 0 301.416 0.757 10 0 DCAERN C[C@@H](Cc1cccs1)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126529374 668621479 /nfs/dbraw/zinc/62/14/79/668621479.db2.gz PENWAGGZPLUHLK-WDEREUQCSA-N 0 0 316.448 0.572 10 0 DCAERN CN(CC1CCCCC1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126596322 668628548 /nfs/dbraw/zinc/62/85/48/668628548.db2.gz QQVIVHJNCRCGIT-CYBMUJFWSA-N 0 0 302.440 0.802 10 0 DCAERN COc1ccccc1N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126719007 668647663 /nfs/dbraw/zinc/64/76/63/668647663.db2.gz KPHXQQBFBCQIQS-LLVKDONJSA-N 0 0 312.391 0.435 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1cc(F)ccc1F ZINC000126776159 668657481 /nfs/dbraw/zinc/65/74/81/668657481.db2.gz ITZOTYWMQCRNNE-LLVKDONJSA-N 0 0 318.345 0.358 10 0 DCAERN CCC1(CC)CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000126866013 668672723 /nfs/dbraw/zinc/67/27/23/668672723.db2.gz GHRKGYJGPBCGEF-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN CC[C@](C)(O)CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC000931223864 669160125 /nfs/dbraw/zinc/16/01/25/669160125.db2.gz VYTLCNHPAVYYTI-KBPBESRZSA-N 0 0 304.456 0.342 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1ccc([C@@H](C)O)n1)c1ccccc1 ZINC000128851119 669303515 /nfs/dbraw/zinc/30/35/15/669303515.db2.gz JKGYSFJPZJEEHY-IAQYHMDHSA-N 0 0 316.361 0.540 10 0 DCAERN O=C(c1ccc(Cl)cn1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794069680 669778044 /nfs/dbraw/zinc/77/80/44/669778044.db2.gz UTJRLFDAQWQGCU-CYBMUJFWSA-N 0 0 307.741 0.977 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC000041448530 669823803 /nfs/dbraw/zinc/82/38/03/669823803.db2.gz VUNOWKLEHALACX-ZDUSSCGKSA-N 0 0 302.330 0.857 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc([C@H]3CCCCS3)no2)C1 ZINC000157588735 669922419 /nfs/dbraw/zinc/92/24/19/669922419.db2.gz ZLOHSLRNSQDTQC-VHSXEESVSA-N 0 0 317.436 0.957 10 0 DCAERN C#CCN(CC(=O)N[C@H](C)C1CC1)CC(=O)N[C@H](C)C1CC1 ZINC000047550497 669929300 /nfs/dbraw/zinc/92/93/00/669929300.db2.gz PCFNFPRUOIUQMT-CHWSQXEVSA-N 0 0 305.422 0.751 10 0 DCAERN Cc1nn[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000188968562 670069944 /nfs/dbraw/zinc/06/99/44/670069944.db2.gz CKSYRZMMBUFJGQ-LBPRGKRZSA-N 0 0 301.350 0.542 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)C1 ZINC000189146380 670093433 /nfs/dbraw/zinc/09/34/33/670093433.db2.gz OERSETXTKLKARQ-HUUCEWRRSA-N 0 0 322.409 0.406 10 0 DCAERN CCOCCOCCN(C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000189234673 670103211 /nfs/dbraw/zinc/10/32/11/670103211.db2.gz WKVHYCDVSOSZGU-KBPBESRZSA-N 0 0 310.394 0.880 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1nc2ccccn2n1 ZINC000191903537 670113097 /nfs/dbraw/zinc/11/30/97/670113097.db2.gz ZOEKNBNFMNMEEI-NSHDSACASA-N 0 0 316.365 0.819 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)c1snnc1C(C)(C)C ZINC000189336644 670113138 /nfs/dbraw/zinc/11/31/38/670113138.db2.gz JCYMNDNSEAKENX-UHFFFAOYSA-N 0 0 305.425 0.952 10 0 DCAERN CCC1=C(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCO1 ZINC000191877860 670113258 /nfs/dbraw/zinc/11/32/58/670113258.db2.gz MNOVFPGMHAFNFP-SNVBAGLBSA-N 0 0 302.396 0.611 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)C(=O)CNCC(F)(F)F ZINC000713915264 670169146 /nfs/dbraw/zinc/16/91/46/670169146.db2.gz CJKDOZLCLYQNLK-UHFFFAOYSA-N 0 0 304.334 0.420 10 0 DCAERN CSc1ccccc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713969642 670172503 /nfs/dbraw/zinc/17/25/03/670172503.db2.gz XTCVXESMKHBBDD-UHFFFAOYSA-N 0 0 300.405 0.959 10 0 DCAERN C[C@H]1CN(Cc2cn(C)nc2Br)C[C@@H](CO)O1 ZINC000714076187 670175438 /nfs/dbraw/zinc/17/54/38/670175438.db2.gz BQQVWLSTXUYDKE-WPRPVWTQSA-N 0 0 304.188 0.764 10 0 DCAERN O=C(OCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCOC1 ZINC000079168302 670179960 /nfs/dbraw/zinc/17/99/60/670179960.db2.gz MVUVPJZTSMENQF-HNNXBMFYSA-N 0 0 324.421 0.901 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000714503415 670190575 /nfs/dbraw/zinc/19/05/75/670190575.db2.gz IHYYCEFDLFYQFR-UHFFFAOYSA-N 0 0 319.144 0.936 10 0 DCAERN Nc1nc(N)nc(SCc2cnn(-c3ccccc3)n2)n1 ZINC000193211970 670252429 /nfs/dbraw/zinc/25/24/29/670252429.db2.gz VAUIXSCQBASHFA-UHFFFAOYSA-N 0 0 300.351 0.909 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000716831493 670273198 /nfs/dbraw/zinc/27/31/98/670273198.db2.gz UVRZIEZIEHDNBP-MXWKQRLJSA-N 0 0 309.453 0.572 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)c1c(Br)nnn1C ZINC000716868862 670275177 /nfs/dbraw/zinc/27/51/77/670275177.db2.gz AUSIYPGSCMHRED-NKWVEPMBSA-N 0 0 305.176 0.857 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1ccc2nc(Cl)ccc2c1 ZINC000193691616 670331129 /nfs/dbraw/zinc/33/11/29/670331129.db2.gz CGUPSMUUUXIRAA-UHFFFAOYSA-N 0 0 313.766 0.907 10 0 DCAERN C[C@@H](C(=O)O[C@H]1CCS(=O)(=O)C1)N(C)CC(F)(F)F ZINC000194912538 670462484 /nfs/dbraw/zinc/46/24/84/670462484.db2.gz KQDRXCALAYLUCO-YUMQZZPRSA-N 0 0 303.302 0.599 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000195475471 670495347 /nfs/dbraw/zinc/49/53/47/670495347.db2.gz XQXAQDKNMNBOJC-VXGBXAGGSA-N 0 0 323.422 0.443 10 0 DCAERN O=C(OCCn1cncn1)c1ccc(-n2cnnn2)cc1Cl ZINC000103804615 670931292 /nfs/dbraw/zinc/93/12/92/670931292.db2.gz RAWTXRYPILBNSC-UHFFFAOYSA-N 0 0 319.712 0.764 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC(=O)N1C ZINC000827359000 671524857 /nfs/dbraw/zinc/52/48/57/671524857.db2.gz LGQNLEQYDWDYEO-LALPHHSUSA-N 0 0 320.393 0.604 10 0 DCAERN COc1ccnc(N2CCN(CN3CCOC3=S)CC2)c1 ZINC000104654637 671986750 /nfs/dbraw/zinc/98/67/50/671986750.db2.gz RJOXFBUFLDIKSZ-UHFFFAOYSA-N 0 0 308.407 0.787 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@H](Cn2cccn2)C1 ZINC000105890657 672247536 /nfs/dbraw/zinc/24/75/36/672247536.db2.gz SDYHOAIOTVEXIH-ZDUSSCGKSA-N 0 0 301.412 0.409 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000398497474 685274446 /nfs/dbraw/zinc/27/44/46/685274446.db2.gz HGKRQNBJBXIGQE-VIFPVBQESA-N 0 0 317.798 0.800 10 0 DCAERN C[C@H](CNC(=O)c1cccnc1Br)S(N)(=O)=O ZINC000398281642 685274561 /nfs/dbraw/zinc/27/45/61/685274561.db2.gz LOVLONICLSTSPR-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1)C1CC1 ZINC000718018520 685304464 /nfs/dbraw/zinc/30/44/64/685304464.db2.gz ACSLUUASIHHLJX-RYUDHWBXSA-N 0 0 305.440 0.675 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1)C1CC1 ZINC000718004662 685304584 /nfs/dbraw/zinc/30/45/84/685304584.db2.gz JJZSHBIPAAXTMK-YPMHNXCESA-N 0 0 305.440 0.818 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](C2OCCO2)C1 ZINC000719054042 685307995 /nfs/dbraw/zinc/30/79/95/685307995.db2.gz IWFNGSCHBZWFSB-QMMMGPOBSA-N 0 0 321.786 0.457 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)nn1 ZINC000719103155 685308589 /nfs/dbraw/zinc/30/85/89/685308589.db2.gz ZGVVSUFSGQMLLD-LLVKDONJSA-N 0 0 313.379 0.559 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)NCc1cn(C)nc1Br ZINC000720076685 685311433 /nfs/dbraw/zinc/31/14/33/685311433.db2.gz ZXMBLGNEIWTQRN-LURJTMIESA-N 0 0 303.160 0.323 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000720095208 685312205 /nfs/dbraw/zinc/31/22/05/685312205.db2.gz BBJDCZGTFWSRDR-ZETCQYMHSA-N 0 0 315.171 0.277 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@@H]1CS(N)(=O)=O)[C@H]1CCCO1 ZINC000720546327 685313967 /nfs/dbraw/zinc/31/39/67/685313967.db2.gz IGJKGYCKYQRWNV-QJPTWQEYSA-N 0 0 304.412 0.471 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2COCCO2)c(Br)n1 ZINC000720666894 685314815 /nfs/dbraw/zinc/31/48/15/685314815.db2.gz GLADPYHBCHXZLQ-MRVPVSSYSA-N 0 0 304.144 0.214 10 0 DCAERN CC(=O)[C@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000722084228 685318831 /nfs/dbraw/zinc/31/88/31/685318831.db2.gz ZDLHEGSQAUWHEW-NWDGAFQWSA-N 0 0 319.448 0.734 10 0 DCAERN CCOCC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 ZINC000037719762 685053352 /nfs/dbraw/zinc/05/33/52/685053352.db2.gz DKYBOCYAAXZOKV-UHFFFAOYSA-N 0 0 300.380 0.419 10 0 DCAERN CC(=O)NC[C@@H](C)OC(=O)c1cnc2c(C)cccn2c1=O ZINC000091109823 685103875 /nfs/dbraw/zinc/10/38/75/685103875.db2.gz MPDJPZFYWRRXAC-SNVBAGLBSA-N 0 0 303.318 0.684 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000094092526 685110157 /nfs/dbraw/zinc/11/01/57/685110157.db2.gz WBAAVGWSXHTSSO-GFCCVEGCSA-N 0 0 318.420 0.220 10 0 DCAERN C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)n1nc(C)cc1C ZINC000143684924 685128435 /nfs/dbraw/zinc/12/84/35/685128435.db2.gz GSYQWHCQYMBIKO-LLVKDONJSA-N 0 0 308.338 0.616 10 0 DCAERN COc1c(CNC(=O)N2CC[NH+](CC3CC3)CC2)c(C)nn1C ZINC000153718693 685134500 /nfs/dbraw/zinc/13/45/00/685134500.db2.gz WFXJRBBKGPLLHF-UHFFFAOYSA-N 0 0 321.425 0.974 10 0 DCAERN Cc1cccn(CC(=O)N2CCCN(C(=O)C3CC3)CC2)c1=O ZINC000158235738 685136884 /nfs/dbraw/zinc/13/68/84/685136884.db2.gz HXOCRARBGOHOTN-UHFFFAOYSA-N 0 0 317.389 0.628 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CSCCS2)C[C@@H]1C ZINC000246483607 685164610 /nfs/dbraw/zinc/16/46/10/685164610.db2.gz HVDKNJPUIPCYFC-SDDRHHMPSA-N 0 0 304.481 0.749 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC000246857169 685167579 /nfs/dbraw/zinc/16/75/79/685167579.db2.gz QSDLNQMYONEYLC-UPJWGTAASA-N 0 0 310.394 0.997 10 0 DCAERN COC[C@@]1(C)NC(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028073 685168975 /nfs/dbraw/zinc/16/89/75/685168975.db2.gz NFMUVMNKHZMPKX-IAQYHMDHSA-N 0 0 321.381 0.124 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247212939 685170673 /nfs/dbraw/zinc/17/06/73/685170673.db2.gz PYQKJXUATBQLIT-KBPBESRZSA-N 0 0 306.472 0.588 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C1 ZINC000248756154 685176504 /nfs/dbraw/zinc/17/65/04/685176504.db2.gz WMJZLCSGNCQZQK-MLGOLLRUSA-N 0 0 324.425 0.901 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000248908875 685177838 /nfs/dbraw/zinc/17/78/38/685177838.db2.gz XLXYUNKAUNNVOL-YPMHNXCESA-N 0 0 322.413 0.686 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000249705910 685183607 /nfs/dbraw/zinc/18/36/07/685183607.db2.gz NJWBMCVTVIOYMQ-MGPQQGTHSA-N 0 0 305.378 0.496 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000249711144 685183764 /nfs/dbraw/zinc/18/37/64/685183764.db2.gz WFAULXVAKQUFSJ-OLZOCXBDSA-N 0 0 310.398 0.511 10 0 DCAERN C[C@H](CN1CCOCC1)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000273063840 685193292 /nfs/dbraw/zinc/19/32/92/685193292.db2.gz JIZOEWAHSVSUTE-CABCVRRESA-N 0 0 306.410 0.842 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCC[C@H]1CCCO ZINC000380960067 685238897 /nfs/dbraw/zinc/23/88/97/685238897.db2.gz SMWFHLFXBHTKBI-QMMMGPOBSA-N 0 0 317.187 0.955 10 0 DCAERN O=S(=O)(NC1COCCOC1)c1cnc(Cl)c(F)c1 ZINC000382006247 685239462 /nfs/dbraw/zinc/23/94/62/685239462.db2.gz MEEKPWDSOWHVPB-UHFFFAOYSA-N 0 0 310.734 0.568 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)N1CCCS(=O)(=O)CC1 ZINC000399083367 1157528215 /nfs/dbraw/zinc/52/82/15/1157528215.db2.gz UNLJARBOPFJTIJ-UHFFFAOYSA-N 0 0 300.355 0.977 10 0 DCAERN CCCn1nc(C(=O)N(C)CCNC(=O)C(C)C)ccc1=O ZINC000129005794 1157588235 /nfs/dbraw/zinc/58/82/35/1157588235.db2.gz PIINVDMCUPAKBA-UHFFFAOYSA-N 0 0 308.382 0.498 10 0 DCAERN CCS(=O)(=O)NCCNCc1ccc(Br)cn1 ZINC000390176249 1157941519 /nfs/dbraw/zinc/94/15/19/1157941519.db2.gz BDDOHUKFRIAWOS-UHFFFAOYSA-N 0 0 322.228 0.873 10 0 DCAERN COc1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1 ZINC000044441097 1171568515 /nfs/dbraw/zinc/56/85/15/1171568515.db2.gz NOWQIAZWSAHMNP-UHFFFAOYSA-N 0 0 319.317 0.570 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H]1O ZINC000089398033 1175310966 /nfs/dbraw/zinc/31/09/66/1175310966.db2.gz VLFGXBZRVRPONE-WOPDTQHZSA-N 0 0 304.412 0.030 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1N ZINC000123996386 1177093179 /nfs/dbraw/zinc/09/31/79/1177093179.db2.gz PVFXUENRDONODR-ZETCQYMHSA-N 0 0 312.167 0.992 10 0 DCAERN C[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000221789893 1180399350 /nfs/dbraw/zinc/39/93/50/1180399350.db2.gz WLWHEYLDOLLLJD-VWYCJHECSA-N 0 0 307.437 0.136 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)NCCNC(=O)c1ccccc1O ZINC000153499839 1180548531 /nfs/dbraw/zinc/54/85/31/1180548531.db2.gz RSKNESRABKFZBA-UHFFFAOYSA-N 0 0 316.361 0.902 10 0 DCAERN Cc1noc([C@@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2)C(C)C)n1 ZINC000159730715 1180566893 /nfs/dbraw/zinc/56/68/93/1180566893.db2.gz FVQFXIXLZRENIL-PWSUYJOCSA-N 0 0 309.370 0.995 10 0 DCAERN Cc1noc([C@H](NC(=O)N(C[C@H](C)O)[C@H](C)CO)C(C)C)n1 ZINC000249095733 1183453607 /nfs/dbraw/zinc/45/36/07/1183453607.db2.gz OJBLQHKYSZNLTG-JFGNBEQYSA-N 0 0 314.386 0.848 10 0 DCAERN COCCOCC(=O)N1CCC(NC(=O)c2ccccn2)CC1 ZINC000169875720 1183616870 /nfs/dbraw/zinc/61/68/70/1183616870.db2.gz XNXOIUAPMZNZOB-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)Nc2ccncc2)C1 ZINC000171053086 1183709810 /nfs/dbraw/zinc/70/98/10/1183709810.db2.gz KKZKODUGJKIVLT-GFCCVEGCSA-N 0 0 312.395 0.034 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)N3CCC3)c2)NC(=O)NC1=O ZINC000171234284 1183715914 /nfs/dbraw/zinc/71/59/14/1183715914.db2.gz BUMUJIQCDHUHJS-HNNXBMFYSA-N 0 0 302.334 0.657 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000171649647 1183759270 /nfs/dbraw/zinc/75/92/70/1183759270.db2.gz RJHLWBJWWARGDN-LLVKDONJSA-N 0 0 315.333 0.541 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)Cn1nnc2ccccc21 ZINC000171985553 1183795953 /nfs/dbraw/zinc/79/59/53/1183795953.db2.gz CFRWEWIOAXOKSU-UHFFFAOYSA-N 0 0 324.406 0.761 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1nnc2ccccc21 ZINC000172399486 1183845615 /nfs/dbraw/zinc/84/56/15/1183845615.db2.gz RTSCNTTVMZSFPY-GHMZBOCLSA-N 0 0 322.390 0.465 10 0 DCAERN C[C@H](CNC(=O)Cn1nnc2ccccc21)CN1CCOCC1 ZINC000172461715 1183850660 /nfs/dbraw/zinc/85/06/60/1183850660.db2.gz VUKXZEDCHMTNND-CYBMUJFWSA-N 0 0 317.393 0.516 10 0 DCAERN C[C@@H](CNC(=O)CN1C(=O)CNC1=O)c1ccc(F)cc1F ZINC000174325589 1183972277 /nfs/dbraw/zinc/97/22/77/1183972277.db2.gz XTNHRMFEBNJJJU-QMMMGPOBSA-N 0 0 311.288 0.736 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000175805904 1184115954 /nfs/dbraw/zinc/11/59/54/1184115954.db2.gz OKQNJYQBBMXRBR-UHFFFAOYSA-N 0 0 312.351 0.076 10 0 DCAERN C[C@@H](Cc1ccsc1)N(C)C(=O)NCCNS(C)(=O)=O ZINC000175919330 1184119581 /nfs/dbraw/zinc/11/95/81/1184119581.db2.gz XNTQSJMFCVNNEK-JTQLQIEISA-N 0 0 319.452 0.870 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC000176669906 1184215379 /nfs/dbraw/zinc/21/53/79/1184215379.db2.gz DXOHHKLHTLWVEL-ZYHUDNBSSA-N 0 0 304.412 0.042 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCO[C@H]1CCOC1 ZINC000176889905 1184222635 /nfs/dbraw/zinc/22/26/35/1184222635.db2.gz HEAPTRCIJZNJJX-LBPRGKRZSA-N 0 0 304.350 0.743 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000185957767 1187333097 /nfs/dbraw/zinc/33/30/97/1187333097.db2.gz JAJISOXXTYYYFU-NEPJUHHUSA-N 0 0 304.350 0.430 10 0 DCAERN COc1cccc(CC(=O)NC[C@@H](C)CN2CCOCC2)n1 ZINC000187114510 1187443441 /nfs/dbraw/zinc/44/34/41/1187443441.db2.gz BLYHZFGRBQAFCX-CYBMUJFWSA-N 0 0 307.394 0.717 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC2)c(N)c1 ZINC000307895195 1190384464 /nfs/dbraw/zinc/38/44/64/1190384464.db2.gz PIZXFMIOPWLKFP-QMMMGPOBSA-N 0 0 300.405 0.908 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)nn2)C1 ZINC000311797893 1190391911 /nfs/dbraw/zinc/39/19/11/1190391911.db2.gz KBPRYRVLHBRPRB-QMMMGPOBSA-N 0 0 303.771 0.779 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316615222 1190415192 /nfs/dbraw/zinc/41/51/92/1190415192.db2.gz WUDXDRHFOYBZHL-RDDDGLTNSA-N 0 0 315.167 0.457 10 0 DCAERN CC[C@@](C)(CNC(=O)Cc1ccc(S(N)(=O)=O)s1)OC ZINC000323138755 1190445361 /nfs/dbraw/zinc/44/53/61/1190445361.db2.gz IOMHEECWOQELBI-LBPRGKRZSA-N 0 0 320.436 0.869 10 0 DCAERN CCNC(=O)NCCNS(=O)(=O)c1cccnc1Cl ZINC000389078673 1190699988 /nfs/dbraw/zinc/69/99/88/1190699988.db2.gz KZJCYDSZQMIENJ-UHFFFAOYSA-N 0 0 306.775 0.332 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(=O)[nH]1 ZINC000391350716 1190700789 /nfs/dbraw/zinc/70/07/89/1190700789.db2.gz HWDLTQFLLNYIHL-OAHLLOKOSA-N 0 0 318.333 0.218 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N[C@@]1(CO)CCOC1 ZINC000393915992 1190702119 /nfs/dbraw/zinc/70/21/19/1190702119.db2.gz TWWJBYFGECNHIQ-GFCCVEGCSA-N 0 0 315.167 0.913 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)c1cccn1C1CCCC1 ZINC000181892749 758781592 /nfs/dbraw/zinc/78/15/92/758781592.db2.gz YMASPUKQFNUEGN-UHFFFAOYSA-N 0 0 304.350 0.885 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)c2cccnc2F)CC1 ZINC000401816369 774067704 /nfs/dbraw/zinc/06/77/04/774067704.db2.gz ANUVURURQNMKOP-UHFFFAOYSA-N 0 0 301.343 0.464 10 0 DCAERN O=S(=O)(c1cccnc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405344185 774161198 /nfs/dbraw/zinc/16/11/98/774161198.db2.gz FIWJCKKZJGLUEL-VHSXEESVSA-N 0 0 317.798 0.175 10 0 DCAERN CC(C)(CNS(=O)(=O)c1ccccc1N)CS(C)(=O)=O ZINC000723838297 946584000 /nfs/dbraw/zinc/58/40/00/946584000.db2.gz YALGOBBQXWBZHS-UHFFFAOYSA-N 0 0 320.436 0.618 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000701198433 949749725 /nfs/dbraw/zinc/74/97/25/949749725.db2.gz AIMQCFPESSSHJV-DTWKUNHWSA-N 0 0 311.425 0.030 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000701198437 949749927 /nfs/dbraw/zinc/74/99/27/949749927.db2.gz AIMQCFPESSSHJV-RKDXNWHRSA-N 0 0 311.425 0.030 10 0 DCAERN CC(C)N(CC[NH+](C)C)S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000688146423 976170808 /nfs/dbraw/zinc/17/08/08/976170808.db2.gz DTNQLMMUQIFOMZ-UHFFFAOYSA-N 0 0 304.372 0.069 10 0 DCAERN C[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC000037293522 1171436682 /nfs/dbraw/zinc/43/66/82/1171436682.db2.gz FBMMRKSNFWVPIH-VHSXEESVSA-N 0 0 309.395 0.874 10 0 DCAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000076988064 185063865 /nfs/dbraw/zinc/06/38/65/185063865.db2.gz LAUIABSGWBVUNR-KGLIPLIRSA-N 0 0 317.389 0.713 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000121970975 290629784 /nfs/dbraw/zinc/62/97/84/290629784.db2.gz PWVRJFJYLRGERU-QWRGUYRKSA-N 0 0 312.391 0.844 10 0 DCAERN CC[C@H](CO)N1CCN(c2nc(CCOC)ns2)CC1 ZINC000176941732 529387728 /nfs/dbraw/zinc/38/77/28/529387728.db2.gz BGTOLKZKDUQLBL-LLVKDONJSA-N 0 0 300.428 0.620 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCC[C@@H]2C)CC1 ZINC000185031873 529387929 /nfs/dbraw/zinc/38/79/29/529387929.db2.gz FJXORPOTQICSDO-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCN1CCOC ZINC000184998517 529399978 /nfs/dbraw/zinc/39/99/78/529399978.db2.gz MVXHOXXBOABIOH-UONOGXRCSA-N 0 0 319.471 0.758 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000328636872 231272518 /nfs/dbraw/zinc/27/25/18/231272518.db2.gz VSTDQOCBHKJVTN-CYBMUJFWSA-N 0 0 314.393 0.761 10 0 DCAERN CC[C@@H]1[C@@H](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185399846 529476541 /nfs/dbraw/zinc/47/65/41/529476541.db2.gz YQXDPUWVRAXYFN-CMPLNLGQSA-N 0 0 303.366 0.777 10 0 DCAERN CCc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc(=O)[nH]1 ZINC000182179506 529514397 /nfs/dbraw/zinc/51/43/97/529514397.db2.gz KKEOMLFJVLQWLI-UHFFFAOYSA-N 0 0 312.391 0.587 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000328616805 529566124 /nfs/dbraw/zinc/56/61/24/529566124.db2.gz CBRNJBWRHZMSRJ-WDEREUQCSA-N 0 0 305.338 0.744 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@H]1CNC(=O)C1 ZINC000089990239 185275015 /nfs/dbraw/zinc/27/50/15/185275015.db2.gz WNDFVLNFWDQFIT-RXMQYKEDSA-N 0 0 300.112 0.212 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000179157097 282297239 /nfs/dbraw/zinc/29/72/39/282297239.db2.gz WSBSUBVZUOHXAV-TZMCWYRMSA-N 0 0 314.345 0.442 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCCNc1ccccn1)C(C)C ZINC000178434482 529919647 /nfs/dbraw/zinc/91/96/47/529919647.db2.gz KQWYIXVJARKQRI-CYBMUJFWSA-N 0 0 307.398 0.953 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000178430719 529919809 /nfs/dbraw/zinc/91/98/09/529919809.db2.gz BRUSUVPZHHCUHF-ZYHUDNBSSA-N 0 0 312.414 0.456 10 0 DCAERN CCc1nnc(CN2CCN([C@H](C)c3nc(C)no3)CC2)[nH]1 ZINC000181690304 199339181 /nfs/dbraw/zinc/33/91/81/199339181.db2.gz CRKIOGKJFUUSJD-SNVBAGLBSA-N 0 0 305.386 0.937 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000299381957 530027722 /nfs/dbraw/zinc/02/77/22/530027722.db2.gz VDIKFDGKBGXDQP-UHFFFAOYSA-N 0 0 323.418 0.515 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(CCO)CC2)[C@H]1c1cccnc1 ZINC000187923352 530044364 /nfs/dbraw/zinc/04/43/64/530044364.db2.gz YUCZXGCZUUQBSW-UKRRQHHQSA-N 0 0 317.389 0.880 10 0 DCAERN COC(=O)CSCCC(=O)NCCc1c(C)nn(C)c1C ZINC000107551532 185483849 /nfs/dbraw/zinc/48/38/49/185483849.db2.gz WQTZKYKLVBXZQG-UHFFFAOYSA-N 0 0 313.423 0.992 10 0 DCAERN CCC1(CC)CN([C@H](C)C(=O)NC(=O)NC)CCS1(=O)=O ZINC000408367891 282378600 /nfs/dbraw/zinc/37/86/00/282378600.db2.gz ZLRYQIFJDJOEKE-SNVBAGLBSA-N 0 0 319.427 0.120 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCN(C)C(=O)C1)CC2 ZINC000181727543 199344929 /nfs/dbraw/zinc/34/49/29/199344929.db2.gz BZTLVPPQLPZOKI-NSHDSACASA-N 0 0 320.397 0.200 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)C(F)(F)F)CC2 ZINC000181765472 199348986 /nfs/dbraw/zinc/34/89/86/199348986.db2.gz CACJJQFSBVEDJG-LLVKDONJSA-N 0 0 324.324 0.880 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000181941916 199366546 /nfs/dbraw/zinc/36/65/46/199366546.db2.gz HMZHLSRLLANHJZ-AAEUAGOBSA-N 0 0 323.397 0.644 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N(CCO)CCO ZINC000123814106 185845020 /nfs/dbraw/zinc/84/50/20/185845020.db2.gz MBKTXVZKJXRDSI-UHFFFAOYSA-N 0 0 303.156 0.458 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCS2)cc1 ZINC000070438426 190892367 /nfs/dbraw/zinc/89/23/67/190892367.db2.gz COLAIUAOVDLKGZ-NSHDSACASA-N 0 0 300.405 0.846 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000153912177 295789784 /nfs/dbraw/zinc/78/97/84/295789784.db2.gz HNXKKZUGVZTJOX-ZIAGYGMSSA-N 0 0 319.409 0.383 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@@H](C2CC2)O1 ZINC000279910411 215229413 /nfs/dbraw/zinc/22/94/13/215229413.db2.gz IHBFEIKTIBAVPX-KOLCDFICSA-N 0 0 316.365 0.434 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cncc(Br)c1 ZINC000287053058 219289431 /nfs/dbraw/zinc/28/94/31/219289431.db2.gz VQDKOCRVVWHFOD-BDAKNGLRSA-N 0 0 316.130 0.882 10 0 DCAERN COC(=O)C1(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1 ZINC000408456827 290883457 /nfs/dbraw/zinc/88/34/57/290883457.db2.gz LPVMTKDOXIBDAM-NEPJUHHUSA-N 0 0 301.408 0.981 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000150322830 186056815 /nfs/dbraw/zinc/05/68/15/186056815.db2.gz YIABOXAQODKEHR-PSASIEDQSA-N 0 0 302.334 0.582 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000280040916 215331100 /nfs/dbraw/zinc/33/11/00/215331100.db2.gz GUIGVTAZGRJEMB-SNVBAGLBSA-N 0 0 307.375 0.751 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCS1 ZINC000171712149 197972073 /nfs/dbraw/zinc/97/20/73/197972073.db2.gz DXDUQSBQWMVHNU-QMMMGPOBSA-N 0 0 313.404 0.982 10 0 DCAERN COCCN1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000172272924 198069185 /nfs/dbraw/zinc/06/91/85/198069185.db2.gz HRRNRSISROSSJF-GFCCVEGCSA-N 0 0 320.393 0.970 10 0 DCAERN CC(C)n1ccc(CN2CCN(CC(=O)NC3CC3)CC2)n1 ZINC000172334229 198081487 /nfs/dbraw/zinc/08/14/87/198081487.db2.gz AGYCBIYWVMHBLB-UHFFFAOYSA-N 0 0 305.426 0.860 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccccn2)n1 ZINC000172493007 198105421 /nfs/dbraw/zinc/10/54/21/198105421.db2.gz XQUDYVGKORWTQV-UHFFFAOYSA-N 0 0 315.377 0.831 10 0 DCAERN COc1ccnc(N2CCN(CCC(=O)OC(C)C)CC2)n1 ZINC000172723621 198140897 /nfs/dbraw/zinc/14/08/97/198140897.db2.gz XTYWTYNESSEZRX-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000072618477 191202836 /nfs/dbraw/zinc/20/28/36/191202836.db2.gz GZLCTFKIWXYSIM-MFKMUULPSA-N 0 0 318.377 0.650 10 0 DCAERN C[C@H](NC(=O)NCC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000173366689 198207154 /nfs/dbraw/zinc/20/71/54/198207154.db2.gz SGCUZAJDUFQXIO-ZETCQYMHSA-N 0 0 307.322 0.959 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)NCc2noc(C)n2)cc1 ZINC000173565083 198228330 /nfs/dbraw/zinc/22/83/30/198228330.db2.gz CSRYRAORUCMGTC-GFCCVEGCSA-N 0 0 306.322 0.919 10 0 DCAERN CCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408240978 282880079 /nfs/dbraw/zinc/88/00/79/282880079.db2.gz GXLXZJSJBOCFKA-WDEREUQCSA-N 0 0 312.457 0.566 10 0 DCAERN CN(c1nccn(C)c1=O)[C@H]1CCCN(c2cccnn2)C1 ZINC000174731256 198377499 /nfs/dbraw/zinc/37/74/99/198377499.db2.gz ZEBIVDULECJTLT-LBPRGKRZSA-N 0 0 300.366 0.676 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCCC[C@@H]1O ZINC000135602591 291015077 /nfs/dbraw/zinc/01/50/77/291015077.db2.gz CQMHRWMNQZZYGW-QWRGUYRKSA-N 0 0 308.400 0.009 10 0 DCAERN CCOC(=O)CCCNC(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182748866 199484056 /nfs/dbraw/zinc/48/40/56/199484056.db2.gz ZJQXOJSXFSEQDG-LBPRGKRZSA-N 0 0 323.397 0.791 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000182835334 199497890 /nfs/dbraw/zinc/49/78/90/199497890.db2.gz KRWFHVNIOYUPTM-HNNXBMFYSA-N 0 0 319.365 0.244 10 0 DCAERN COc1cc(C(=O)NC[C@H]2CN(C)CCO2)cc(OC)c1OC ZINC000074773266 191357430 /nfs/dbraw/zinc/35/74/30/191357430.db2.gz GAONINYKWPEGKT-LBPRGKRZSA-N 0 0 324.377 0.773 10 0 DCAERN COc1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc(OC)c1OC ZINC000074728859 191353965 /nfs/dbraw/zinc/35/39/65/191353965.db2.gz BEGWGHKINMHSFN-QMMMGPOBSA-N 0 0 323.305 0.249 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000112649386 295908000 /nfs/dbraw/zinc/90/80/00/295908000.db2.gz RCTUVFTXVKLWEC-WCQYABFASA-N 0 0 312.329 0.491 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177567615 198745778 /nfs/dbraw/zinc/74/57/78/198745778.db2.gz WXBIAYLUDSTXQL-YGRLFVJLSA-N 0 0 307.354 0.708 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cnc2n(c1=O)CCS2 ZINC000085981693 192541947 /nfs/dbraw/zinc/54/19/47/192541947.db2.gz VZOGMBZLPWPPBK-ONGXEEELSA-N 0 0 309.391 0.630 10 0 DCAERN CN1C[C@H](NC(=O)N2CCc3ccccc3[C@H]2CO)CCC1=O ZINC000130700359 283238597 /nfs/dbraw/zinc/23/85/97/283238597.db2.gz LSHHDKZMPXCFIJ-UKRRQHHQSA-N 0 0 317.389 0.909 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408170337 290554103 /nfs/dbraw/zinc/55/41/03/290554103.db2.gz TWHJVWWKCCPDPR-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000106921550 283286367 /nfs/dbraw/zinc/28/63/67/283286367.db2.gz SVTCPNMLIYPEOF-VXGBXAGGSA-N 0 0 306.428 0.732 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1 ZINC000179460940 199039027 /nfs/dbraw/zinc/03/90/27/199039027.db2.gz CUDWKQYZEORRLL-SWLSCSKDSA-N 0 0 323.397 0.692 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000179405750 199029745 /nfs/dbraw/zinc/02/97/45/199029745.db2.gz IMKZXJJSTWIRKO-ZDUSSCGKSA-N 0 0 306.410 0.748 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cn(C)cn3)C2=O)n(C)n1 ZINC000179627856 199066676 /nfs/dbraw/zinc/06/66/76/199066676.db2.gz FNQUNOIKTLNSGO-NSHDSACASA-N 0 0 316.365 0.387 10 0 DCAERN Cn1cc(CNC(=O)NC[C@]2(O)CCOC2)c(C(F)(F)F)n1 ZINC000179633806 199067617 /nfs/dbraw/zinc/06/76/17/199067617.db2.gz PWEKCGLUSRQFLN-LLVKDONJSA-N 0 0 322.287 0.390 10 0 DCAERN CCn1c(C)nnc1CN[C@H](C(=O)N1CCOCC1)C(C)C ZINC000180055536 199113101 /nfs/dbraw/zinc/11/31/01/199113101.db2.gz ZMDNYMKQCPEOHQ-AWEZNQCLSA-N 0 0 309.414 0.579 10 0 DCAERN CCCN1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C(C)(C)C1=O ZINC000408380371 283346488 /nfs/dbraw/zinc/34/64/88/283346488.db2.gz YCHJPWFCXTXQIA-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN CCOC(=O)CCN(C(=O)c1ccc(=O)n(C)n1)C(C)(C)C ZINC000180481217 199164729 /nfs/dbraw/zinc/16/47/29/199164729.db2.gz DASUMJOAJYJJKL-UHFFFAOYSA-N 0 0 309.366 0.974 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1F ZINC000180608105 199183955 /nfs/dbraw/zinc/18/39/55/199183955.db2.gz DYIKGFVNFYPDHO-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000280664686 215778247 /nfs/dbraw/zinc/77/82/47/215778247.db2.gz BKGSVNBFEPJZPM-UHFFFAOYSA-N 0 0 311.388 0.792 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180796145 199210465 /nfs/dbraw/zinc/21/04/65/199210465.db2.gz IDJLOHLYDMEIBS-WDEREUQCSA-N 0 0 316.427 0.946 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nnc2n1CCCC2 ZINC000180880392 199222694 /nfs/dbraw/zinc/22/26/94/199222694.db2.gz NXSUNRRAMFQCCM-SECBINFHSA-N 0 0 303.322 0.964 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000280725566 215821095 /nfs/dbraw/zinc/82/10/95/215821095.db2.gz HZJQCFHTQSIOEN-VXGBXAGGSA-N 0 0 315.381 0.754 10 0 DCAERN CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181213156 199266584 /nfs/dbraw/zinc/26/65/84/199266584.db2.gz QHKJAZKQJPPGJS-SNVBAGLBSA-N 0 0 317.411 0.430 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@H](CO)c1ccccc1 ZINC000151616590 237001345 /nfs/dbraw/zinc/00/13/45/237001345.db2.gz MGOFXYXYVBSKNV-CYBMUJFWSA-N 0 0 301.346 0.630 10 0 DCAERN CCS(=O)(=O)N1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000155041486 237039324 /nfs/dbraw/zinc/03/93/24/237039324.db2.gz KMEZQNPWYNCQOQ-UHFFFAOYSA-N 0 0 313.427 0.389 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccccc1F ZINC000155770711 237045520 /nfs/dbraw/zinc/04/55/20/237045520.db2.gz FXYGJVCLPSUFEY-NXEZZACHSA-N 0 0 307.325 0.877 10 0 DCAERN CCc1nnc(CN([C@H](C)CS(C)(=O)=O)C2CC2)n1C ZINC000172076090 237143818 /nfs/dbraw/zinc/14/38/18/237143818.db2.gz AUSCEVYFZHKIOB-SNVBAGLBSA-N 0 0 300.428 0.775 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000167684047 237123678 /nfs/dbraw/zinc/12/36/78/237123678.db2.gz APSNEKABSXESOM-BETUJISGSA-N 0 0 313.423 0.876 10 0 DCAERN CCC1(CC)CN(C(=O)CSCC(N)=O)CC[S@]1=O ZINC000186764313 200005909 /nfs/dbraw/zinc/00/59/09/200005909.db2.gz YEQZOVVTRXPQFA-LJQANCHMSA-N 0 0 306.453 0.355 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000175490437 237184266 /nfs/dbraw/zinc/18/42/66/237184266.db2.gz ODHIKEHJFMUFSH-UHFFFAOYSA-N 0 0 312.376 0.223 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000344822093 291185680 /nfs/dbraw/zinc/18/56/80/291185680.db2.gz KCBTWFVEDRYTKA-MWLCHTKSSA-N 0 0 312.395 0.093 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183946770 295992670 /nfs/dbraw/zinc/99/26/70/295992670.db2.gz FLYIMSLCRJJTEU-VIFPVBQESA-N 0 0 310.379 0.473 10 0 DCAERN C[C@@H](C(N)=O)S(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173971636 237166947 /nfs/dbraw/zinc/16/69/47/237166947.db2.gz URVVTDMWKOAMAT-VIFPVBQESA-N 0 0 311.338 0.800 10 0 DCAERN Cn1c2ccc(F)cc2nc1NC(=O)CN1CC(=O)NC1=O ZINC000174607571 237170986 /nfs/dbraw/zinc/17/09/86/237170986.db2.gz COIXFLKJJKWJCS-UHFFFAOYSA-N 0 0 305.269 0.203 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H](C(F)(F)F)C1)N1CCOCC1 ZINC000179769268 237254453 /nfs/dbraw/zinc/25/44/53/237254453.db2.gz FXRQXPHVXDZSHF-JTQLQIEISA-N 0 0 323.315 0.829 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000187297026 200091032 /nfs/dbraw/zinc/09/10/32/200091032.db2.gz ZZRMHBSTLZEUDL-LBPRGKRZSA-N 0 0 305.378 0.185 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)c2coc(S(N)(=O)=O)c2)O1 ZINC000187339263 200097904 /nfs/dbraw/zinc/09/79/04/200097904.db2.gz SLYHKJVQLQOFDO-SECBINFHSA-N 0 0 302.352 0.614 10 0 DCAERN C[C@](O)(CNC(=O)c1c(O)cccc1F)CN1CCOCC1 ZINC000187515361 200122621 /nfs/dbraw/zinc/12/26/21/200122621.db2.gz PJDAYLRRDWXVGC-HNNXBMFYSA-N 0 0 312.341 0.344 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000187444215 200113014 /nfs/dbraw/zinc/11/30/14/200113014.db2.gz CSLSNLFLTTVHBC-GFCCVEGCSA-N 0 0 306.362 0.948 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187742505 237356878 /nfs/dbraw/zinc/35/68/78/237356878.db2.gz QQNYSKNEJSGHDA-MRXNPFEDSA-N 0 0 319.449 0.652 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)CNC(=O)c2cccnc2)n1 ZINC000187516163 237348770 /nfs/dbraw/zinc/34/87/70/237348770.db2.gz FMOAHSVQJSNWLN-LLVKDONJSA-N 0 0 317.349 0.854 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000188754886 237381461 /nfs/dbraw/zinc/38/14/61/237381461.db2.gz ZPRFBZGMUUKLKA-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000187900661 200173080 /nfs/dbraw/zinc/17/30/80/200173080.db2.gz XLWTYCHEUPBBSC-LBPRGKRZSA-N 0 0 307.350 0.786 10 0 DCAERN O=C1CCCN1c1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000153692832 291207997 /nfs/dbraw/zinc/20/79/97/291207997.db2.gz DNNWNQXFGVMGJF-OAHLLOKOSA-N 0 0 320.389 0.885 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000154087484 291211032 /nfs/dbraw/zinc/21/10/32/291211032.db2.gz WPDJJMCSZXNWDZ-AWEZNQCLSA-N 0 0 322.409 0.759 10 0 DCAERN NC(=O)c1ccc(Cl)cc1OC[C@@H](O)CN1CCOCC1 ZINC000154625135 291214451 /nfs/dbraw/zinc/21/44/51/291214451.db2.gz JUWSODHSERSCJD-NSHDSACASA-N 0 0 314.769 0.511 10 0 DCAERN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CNC(=O)C1 ZINC000154583147 291214498 /nfs/dbraw/zinc/21/44/98/291214498.db2.gz PWOYPEDXDOCRKT-QMMMGPOBSA-N 0 0 317.267 0.732 10 0 DCAERN CN(C)c1ncc(NC(=O)N(C)CCN2CCOCC2)cn1 ZINC000154681659 291215041 /nfs/dbraw/zinc/21/50/41/291215041.db2.gz GJIATDSOWXVMFC-UHFFFAOYSA-N 0 0 308.386 0.339 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)Nc1ccccc1 ZINC000154773959 291215571 /nfs/dbraw/zinc/21/55/71/291215571.db2.gz KZUMKXWQWWAMDB-UHFFFAOYSA-N 0 0 314.345 0.883 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000154878804 291216246 /nfs/dbraw/zinc/21/62/46/291216246.db2.gz OELBOVFBSMHEDW-AAEUAGOBSA-N 0 0 307.398 0.994 10 0 DCAERN CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000155287745 291219098 /nfs/dbraw/zinc/21/90/98/291219098.db2.gz KNVYNHBLLKCCAX-STQMWFEESA-N 0 0 320.455 0.978 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155660159 291221181 /nfs/dbraw/zinc/22/11/81/291221181.db2.gz HQKNTJRYGOBEPG-CYBMUJFWSA-N 0 0 320.455 0.284 10 0 DCAERN CC[C@H]1CCCCC[N@@H+]1CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000156175352 291223893 /nfs/dbraw/zinc/22/38/93/291223893.db2.gz JTMRRWJGDWQGGH-NSHDSACASA-N 0 0 322.409 0.976 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)NCCCN1CCCC1=O ZINC000158024185 291229845 /nfs/dbraw/zinc/22/98/45/291229845.db2.gz KNBDDPZXOSLPBQ-UHFFFAOYSA-N 0 0 312.414 0.460 10 0 DCAERN CCCCNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C(C)=O ZINC000006051126 181308352 /nfs/dbraw/zinc/30/83/52/181308352.db2.gz DSZLJWGRTNDRHH-UHFFFAOYSA-N 0 0 324.358 0.841 10 0 DCAERN Ic1cnc(NCCn2cncn2)nc1 ZINC000307119209 291251570 /nfs/dbraw/zinc/25/15/70/291251570.db2.gz ROILWDLZHFTEGE-UHFFFAOYSA-N 0 0 316.106 0.785 10 0 DCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N1CCCCCC1 ZINC000408334651 291267725 /nfs/dbraw/zinc/26/77/25/291267725.db2.gz BPVUKGIESUYXHC-SNVBAGLBSA-N 0 0 308.400 0.009 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000123070998 545753396 /nfs/dbraw/zinc/75/33/96/545753396.db2.gz JABMCYKHJXEUAW-VHSXEESVSA-N 0 0 317.329 0.884 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000374958208 299333881 /nfs/dbraw/zinc/33/38/81/299333881.db2.gz ZQKCLKSOWBQLIV-WDEREUQCSA-N 0 0 304.412 0.342 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N[C@H]1CCc2ncnn2C1 ZINC000408355717 239266547 /nfs/dbraw/zinc/26/65/47/239266547.db2.gz NVLMCMPRNRTZHD-QWRGUYRKSA-N 0 0 301.354 0.173 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N[C@@H]1CCc2ncnn2C1 ZINC000408355715 239266765 /nfs/dbraw/zinc/26/67/65/239266765.db2.gz NVLMCMPRNRTZHD-GHMZBOCLSA-N 0 0 301.354 0.173 10 0 DCAERN O=C(CNC(=O)NCC[C@@H]1COc2ccccc2O1)NC1CC1 ZINC000566713642 291319333 /nfs/dbraw/zinc/31/93/33/291319333.db2.gz SFYGRTINHDDHDT-GFCCVEGCSA-N 0 0 319.361 0.794 10 0 DCAERN COc1cc2c(cc1S(=O)(=O)N1CCCO1)OCC(=O)N2 ZINC000281777947 216536654 /nfs/dbraw/zinc/53/66/54/216536654.db2.gz UDXSZMYRFHLABY-UHFFFAOYSA-N 0 0 314.319 0.352 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)s1 ZINC000425286435 240332591 /nfs/dbraw/zinc/33/25/91/240332591.db2.gz HVLPLCJHRPSRSB-NSHDSACASA-N 0 0 312.391 0.374 10 0 DCAERN CN(CCCO)C(=O)c1cccc(C(=O)N(C)CCCO)c1 ZINC000443001882 240554049 /nfs/dbraw/zinc/55/40/49/240554049.db2.gz QLINFOWTPRWBGD-UHFFFAOYSA-N 0 0 308.378 0.595 10 0 DCAERN NC(=O)CN1CCC(C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000091519356 193068380 /nfs/dbraw/zinc/06/83/80/193068380.db2.gz KZTSYRAWLQEVTD-VHDGCEQUSA-N 0 0 305.422 0.902 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)C2(C)CC2)CC12COC2 ZINC000451621899 240667661 /nfs/dbraw/zinc/66/76/61/240667661.db2.gz YEABKKFZLRLZMS-SNVBAGLBSA-N 0 0 303.380 0.380 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CC2CCC2)CC12COC2 ZINC000451620388 240667756 /nfs/dbraw/zinc/66/77/56/240667756.db2.gz OADMMRIETSARTL-LBPRGKRZSA-N 0 0 317.407 0.628 10 0 DCAERN Cn1cc(CCC(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc21 ZINC000091782795 193106880 /nfs/dbraw/zinc/10/68/80/193106880.db2.gz PKRSZMJPLRYTEP-OAHLLOKOSA-N 0 0 315.373 0.824 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCn1cnc2ccccc21 ZINC000091810821 193110911 /nfs/dbraw/zinc/11/09/11/193110911.db2.gz ANMQWHBBWJZEEJ-CYBMUJFWSA-N 0 0 302.334 0.139 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000338789051 291354860 /nfs/dbraw/zinc/35/48/60/291354860.db2.gz QFXNCRMHBUFTAI-VXGBXAGGSA-N 0 0 323.393 0.782 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1=O ZINC000091983054 193136171 /nfs/dbraw/zinc/13/61/71/193136171.db2.gz PZEOUPXQQLTQJM-LLVKDONJSA-N 0 0 306.366 0.147 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000457471442 241007926 /nfs/dbraw/zinc/00/79/26/241007926.db2.gz BGBCOWYJUKFEIW-TZMCWYRMSA-N 0 0 303.366 0.742 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457702441 241027599 /nfs/dbraw/zinc/02/75/99/241027599.db2.gz FLDNVKAODAFZMO-LBPRGKRZSA-N 0 0 309.318 0.435 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000408241083 291373142 /nfs/dbraw/zinc/37/31/42/291373142.db2.gz SEXLVGLRAWRCMR-IJLUTSLNSA-N 0 0 317.407 0.611 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000370651422 291385805 /nfs/dbraw/zinc/38/58/05/291385805.db2.gz QDNXDAZKNQFJAH-UMSGYPCISA-N 0 0 308.378 0.703 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C[C@@H](O)COc2ccccc2)n1 ZINC000275267813 212235844 /nfs/dbraw/zinc/23/58/44/212235844.db2.gz IWHCRGMDSZQQPX-UMVBOHGHSA-N 0 0 319.361 0.926 10 0 DCAERN Cc1ccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)c(Cl)c1 ZINC000092228503 193176038 /nfs/dbraw/zinc/17/60/38/193176038.db2.gz UPWLZWOLESAFNI-GFCCVEGCSA-N 0 0 311.769 0.773 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000568291366 291421649 /nfs/dbraw/zinc/42/16/49/291421649.db2.gz HPLOFHJZPTWWNP-GWCFXTLKSA-N 0 0 320.345 0.604 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H](C)N2CCN(C)CC2)C[C@H]1C ZINC000408321901 284043990 /nfs/dbraw/zinc/04/39/90/284043990.db2.gz SDDTWSDYLDOIJJ-HZSPNIEDSA-N 0 0 311.426 0.280 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CC[C@@H](C)[C@H](OC)C1)C(C)C ZINC000187707370 261124974 /nfs/dbraw/zinc/12/49/74/261124974.db2.gz ATEOVWSHGBNUIP-BZPMIXESSA-N 0 0 300.399 0.657 10 0 DCAERN COCC(=O)NC[C@@H]1Cn2nnc(-c3ccncc3)c2CO1 ZINC000096069366 193519617 /nfs/dbraw/zinc/51/96/17/193519617.db2.gz ZFBJBXULDVFDPG-LLVKDONJSA-N 0 0 303.322 0.002 10 0 DCAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)N2CCOCC2)cn1 ZINC000264057547 203699039 /nfs/dbraw/zinc/69/90/39/203699039.db2.gz JQYCTELAAMKPIO-LBPRGKRZSA-N 0 0 300.384 0.134 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)NCC1(C)COC1 ZINC000264857276 204214945 /nfs/dbraw/zinc/21/49/45/204214945.db2.gz OWUYKBXMUGQRTF-UHFFFAOYSA-N 0 0 301.346 0.858 10 0 DCAERN O=S(=O)(NC1CC1)N1CCO[C@H](COc2ccccc2)C1 ZINC000572091386 291547718 /nfs/dbraw/zinc/54/77/18/291547718.db2.gz NCTUXGMVAUTDHI-AWEZNQCLSA-N 0 0 312.391 0.763 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000186912338 296191696 /nfs/dbraw/zinc/19/16/96/296191696.db2.gz QSAOWVMVWDFTQE-QMTHXVAHSA-N 0 0 314.345 0.959 10 0 DCAERN O=C(Nc1nc[nH]n1)c1cnn2cc(Br)cnc12 ZINC000094018809 284431937 /nfs/dbraw/zinc/43/19/37/284431937.db2.gz HJZFPUIOPSFVON-UHFFFAOYSA-N 0 0 308.099 0.862 10 0 DCAERN CCN1CN(C(=O)NCC(=O)N(C)Cc2ccccc2)CC1=O ZINC000189770512 335026601 /nfs/dbraw/zinc/02/66/01/335026601.db2.gz KUIRGFFXEXYGPP-UHFFFAOYSA-N 0 0 318.377 0.476 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000376416669 291624790 /nfs/dbraw/zinc/62/47/90/291624790.db2.gz SPFCSJCKPAZLQL-KKOKHZNYSA-N 0 0 315.391 0.221 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@@H](CO)[C@H]1CCOC1 ZINC000574137998 291675968 /nfs/dbraw/zinc/67/59/68/291675968.db2.gz RHCVUQMHYBTHSI-KBPBESRZSA-N 0 0 300.399 0.747 10 0 DCAERN Cc1cc(C)n(-c2ncnc(NCCN3CCOCC3)c2N)n1 ZINC000040800612 183135550 /nfs/dbraw/zinc/13/55/50/183135550.db2.gz NYKQUSLACCQUIS-UHFFFAOYSA-N 0 0 317.397 0.605 10 0 DCAERN COc1ccc(-n2nc3c(=O)[nH]c4ncccc4n3c2=O)cc1 ZINC000040916242 183147996 /nfs/dbraw/zinc/14/79/96/183147996.db2.gz GBTIKVGSZHUAOZ-UHFFFAOYSA-N 0 0 309.285 0.730 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCN(CC(N)=S)CC2)c1 ZINC000041566283 183203529 /nfs/dbraw/zinc/20/35/29/183203529.db2.gz MCHFGXYHCYAJOJ-UHFFFAOYSA-N 0 0 313.448 0.587 10 0 DCAERN NS(=O)(=O)Cc1ccc(NC2CCS(=O)CC2)cc1 ZINC000042353399 183257323 /nfs/dbraw/zinc/25/73/23/183257323.db2.gz IAWZRPPGIIHQJH-UHFFFAOYSA-N 0 0 302.421 0.798 10 0 DCAERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000574357591 291690082 /nfs/dbraw/zinc/69/00/82/291690082.db2.gz CQMGIIVBIZYUEO-DZGCQCFKSA-N 0 0 321.421 0.367 10 0 DCAERN Cc1csc(C2(NCC(=O)N3CCNC(=O)C3)CCC2)n1 ZINC000273934162 211188692 /nfs/dbraw/zinc/18/86/92/211188692.db2.gz CQFAXYXYZZERFX-UHFFFAOYSA-N 0 0 308.407 0.379 10 0 DCAERN O=C(c1cn2ccnc2s1)N1CC[C@H](N2CCOCC2)C1 ZINC000188571100 284740292 /nfs/dbraw/zinc/74/02/92/284740292.db2.gz XDLGYDBZTIJXQV-NSHDSACASA-N 0 0 306.391 0.943 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)c3cnns3)CC2)n1 ZINC000105820033 194136249 /nfs/dbraw/zinc/13/62/49/194136249.db2.gz QYOJRMHCQWWWLY-UHFFFAOYSA-N 0 0 320.378 0.689 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811284 194134743 /nfs/dbraw/zinc/13/47/43/194134743.db2.gz DLPZDOBXVPOGOK-AWEZNQCLSA-N 0 0 322.409 0.957 10 0 DCAERN CCOC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868639 194151507 /nfs/dbraw/zinc/15/15/07/194151507.db2.gz GDWVWHZMQSJTIM-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN COC(=O)CC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000105987344 194177302 /nfs/dbraw/zinc/17/73/02/194177302.db2.gz KGOKBGOJUHXFJI-QWHCGFSZSA-N 0 0 304.346 0.933 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110226264 194316821 /nfs/dbraw/zinc/31/68/21/194316821.db2.gz JGPDLJPVXGGORS-UHFFFAOYSA-N 0 0 315.377 0.281 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000110347921 194323812 /nfs/dbraw/zinc/32/38/12/194323812.db2.gz IGPMSIFZGGCADP-ONGXEEELSA-N 0 0 310.375 0.403 10 0 DCAERN CCOC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110537481 194337688 /nfs/dbraw/zinc/33/76/88/194337688.db2.gz MHGSPGDMVTWHEQ-AWEZNQCLSA-N 0 0 318.373 0.757 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000110703440 194351958 /nfs/dbraw/zinc/35/19/58/194351958.db2.gz GECLOZZYQHAAER-AWEZNQCLSA-N 0 0 317.389 0.770 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000110898784 194368185 /nfs/dbraw/zinc/36/81/85/194368185.db2.gz DWDTUZUVZOCZEX-ZIAGYGMSSA-N 0 0 320.393 0.206 10 0 DCAERN O=C(CN1CCCC1=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110952388 194373103 /nfs/dbraw/zinc/37/31/03/194373103.db2.gz TWIMDXCCBLRPOU-CQSZACIVSA-N 0 0 309.410 0.322 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328901578 296317192 /nfs/dbraw/zinc/31/71/92/296317192.db2.gz ZGLGKNNOVGEHPO-RDBSUJKOSA-N 0 0 317.455 0.511 10 0 DCAERN CC[C@@H](C)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000057413389 184037526 /nfs/dbraw/zinc/03/75/26/184037526.db2.gz BWLMNNABWLEGKP-CYBMUJFWSA-N 0 0 306.414 0.696 10 0 DCAERN CCN(CC1CC1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000112179811 194437468 /nfs/dbraw/zinc/43/74/68/194437468.db2.gz OUWMRDDZMKAZFV-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000408334426 291773989 /nfs/dbraw/zinc/77/39/89/291773989.db2.gz AALMKRNUTYGAER-UWVGGRQHSA-N 0 0 308.400 0.008 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000061707001 184184517 /nfs/dbraw/zinc/18/45/17/184184517.db2.gz KUPNBIHDHPIVBR-SECBINFHSA-N 0 0 303.336 0.438 10 0 DCAERN NC(=O)CN(CC(N)=O)Cc1ccccc1Br ZINC000061808422 184188336 /nfs/dbraw/zinc/18/83/36/184188336.db2.gz WHFKQIMENAZMQE-UHFFFAOYSA-N 0 0 300.156 0.222 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)N1CCOCC[C@@H]1C ZINC000362303400 262020686 /nfs/dbraw/zinc/02/06/86/262020686.db2.gz ACMRJHKJOXOWCY-LBPRGKRZSA-N 0 0 321.443 0.478 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)CO)c2)no1 ZINC000064578498 184300589 /nfs/dbraw/zinc/30/05/89/184300589.db2.gz VBKBBQGYGAGYFD-QMMMGPOBSA-N 0 0 304.306 0.481 10 0 DCAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)N1CCSCC1 ZINC000064609930 184301777 /nfs/dbraw/zinc/30/17/77/184301777.db2.gz YTDHATLHXQDCNE-CYBMUJFWSA-N 0 0 323.418 0.546 10 0 DCAERN CC(C)N1CCn2nc(C(=O)NC[C@@H]3COCCO3)cc2C1 ZINC000065427570 184343734 /nfs/dbraw/zinc/34/37/34/184343734.db2.gz ZNORWGPGWOEDFT-CYBMUJFWSA-N 0 0 308.382 0.252 10 0 DCAERN O=C1CN(CCCNc2cccnc2)C(=O)[C@@H]2C[C@H](O)CCN12 ZINC000065397048 184335967 /nfs/dbraw/zinc/33/59/67/184335967.db2.gz SFDGFVZLIROXEX-KGLIPLIRSA-N 0 0 318.377 0.078 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)c2n1 ZINC000074690703 252585651 /nfs/dbraw/zinc/58/56/51/252585651.db2.gz HWRDFJJCPLNXIE-GFCCVEGCSA-N 0 0 301.350 0.731 10 0 DCAERN O=C(NCc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086431427 252588169 /nfs/dbraw/zinc/58/81/69/252588169.db2.gz MLUOMPDKZOUMIN-UHFFFAOYSA-N 0 0 322.328 0.917 10 0 DCAERN NC(=O)[C@H]1CC(C(=O)N[C@H]2CCCOC2)=NN1c1ccccc1 ZINC000171686537 252593824 /nfs/dbraw/zinc/59/38/24/252593824.db2.gz LZNMVNJBAUXIQA-SMDDNHRTSA-N 0 0 316.361 0.402 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@](O)(CO)C1 ZINC000313791293 252643868 /nfs/dbraw/zinc/64/38/68/252643868.db2.gz JTUMRGDFDJWNCQ-GFCCVEGCSA-N 0 0 323.773 0.987 10 0 DCAERN O=S(=O)(c1cnn2c1OCCC2)N1CCO[C@H](C2CC2)C1 ZINC000333142954 252685716 /nfs/dbraw/zinc/68/57/16/252685716.db2.gz JPYIBNLXRCXNMX-NSHDSACASA-N 0 0 313.379 0.465 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000333145940 252686865 /nfs/dbraw/zinc/68/68/65/252686865.db2.gz ZRQPAZZCEODQKJ-AAEUAGOBSA-N 0 0 321.381 0.169 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCOC2(C)C)nn1 ZINC000333591758 252740578 /nfs/dbraw/zinc/74/05/78/252740578.db2.gz PFMDTASFOMCPNX-UTUOFQBUSA-N 0 0 310.354 0.162 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CC23CCOCC3)nn1 ZINC000333633980 252746352 /nfs/dbraw/zinc/74/63/52/252746352.db2.gz WEDQBYNIUXVMCF-UPJWGTAASA-N 0 0 322.365 0.163 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(Br)o2)C1 ZINC000336714493 252795348 /nfs/dbraw/zinc/79/53/48/252795348.db2.gz RYRRMIQZIVAZET-SNVBAGLBSA-N 0 0 303.112 0.104 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](CO)CC1 ZINC000339122894 253034048 /nfs/dbraw/zinc/03/40/48/253034048.db2.gz AAWMIUBDSINEPN-SECBINFHSA-N 0 0 307.803 0.857 10 0 DCAERN CN1CCN(C(=O)NCCCNC(=O)c2ccccc2)CC1 ZINC000340026195 253186776 /nfs/dbraw/zinc/18/67/76/253186776.db2.gz PAMQSKHFZPNYFN-UHFFFAOYSA-N 0 0 304.394 0.764 10 0 DCAERN COCc1ccccc1CNC(=O)CN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346079337 254006835 /nfs/dbraw/zinc/00/68/35/254006835.db2.gz VEERHHYHYBQSRB-ZIAGYGMSSA-N 0 0 323.368 0.347 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346090676 254008308 /nfs/dbraw/zinc/00/83/08/254008308.db2.gz PVDCAISKDFMRPB-UONOGXRCSA-N 0 0 307.369 0.551 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000104764708 220436989 /nfs/dbraw/zinc/43/69/89/220436989.db2.gz WIYBKHAVQKMVSX-LBPRGKRZSA-N 0 0 317.455 0.811 10 0 DCAERN COCCOc1cccc(C(=O)N2C[C@@H](F)C[C@@H]2C(N)=O)c1 ZINC000347247913 254142042 /nfs/dbraw/zinc/14/20/42/254142042.db2.gz ZPXLKGVIOUCYLD-WCQYABFASA-N 0 0 310.325 0.750 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(F)c1 ZINC000348028488 254214477 /nfs/dbraw/zinc/21/44/77/254214477.db2.gz VQEDVSGGKLUYAT-SSDOTTSWSA-N 0 0 302.327 0.435 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)C1 ZINC000349968307 254306658 /nfs/dbraw/zinc/30/66/58/254306658.db2.gz HEBRLTCLYUNVBU-RKDXNWHRSA-N 0 0 304.334 0.866 10 0 DCAERN Cc1nc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)cn1C ZINC000349974310 254306976 /nfs/dbraw/zinc/30/69/76/254306976.db2.gz MHDUEDGLAAQHRA-SSDOTTSWSA-N 0 0 301.290 0.320 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)S(N)(=O)=O ZINC000350616208 254319096 /nfs/dbraw/zinc/31/90/96/254319096.db2.gz OZTNDLZTSGORHI-KCJUWKMLSA-N 0 0 300.405 0.497 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)S(N)(=O)=O ZINC000350621377 254320399 /nfs/dbraw/zinc/32/03/99/254320399.db2.gz QZFZUYIWOHXMNI-IFUGULHKSA-N 0 0 324.402 0.520 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000372108358 220518103 /nfs/dbraw/zinc/51/81/03/220518103.db2.gz LVTCIEUFFCOAJL-CYBMUJFWSA-N 0 0 303.362 0.868 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194119472 299588456 /nfs/dbraw/zinc/58/84/56/299588456.db2.gz FUDGQWGSCSLVPQ-MXWKQRLJSA-N 0 0 304.412 0.325 10 0 DCAERN Cn1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000294668803 224155914 /nfs/dbraw/zinc/15/59/14/224155914.db2.gz SAIJHRPGUXHQHD-JTQLQIEISA-N 0 0 309.395 0.845 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000262093109 285298660 /nfs/dbraw/zinc/29/86/60/285298660.db2.gz GSPXLCXNMNOJRM-JKIFEVAISA-N 0 0 323.437 0.726 10 0 DCAERN Cn1cc(C[C@@H]2[C@H](OCC3CC3)CCN2S(C)(=O)=O)cn1 ZINC000248131471 257108336 /nfs/dbraw/zinc/10/83/36/257108336.db2.gz NFUSBUUVPYIWIF-ZIAGYGMSSA-N 0 0 313.423 0.792 10 0 DCAERN Cc1nnc(C[C@@H]2CO[C@H]3CN(S(=O)(=O)C4CC4)C[C@H]32)o1 ZINC000248056605 257111127 /nfs/dbraw/zinc/11/11/27/257111127.db2.gz YUUHPUCNDWNPBX-USWWRNFRSA-N 0 0 313.379 0.360 10 0 DCAERN CN(C)C(=O)COC[C@H]1CCOC12CN(Cc1ccco1)C2 ZINC000247999112 257112219 /nfs/dbraw/zinc/11/22/19/257112219.db2.gz NFSZDOYGTGMZJX-CYBMUJFWSA-N 0 0 308.378 0.975 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2N1C(C)=O ZINC000247966320 257113598 /nfs/dbraw/zinc/11/35/98/257113598.db2.gz XIRCPXPSKDROFT-SOUVJXGZSA-N 0 0 315.373 0.494 10 0 DCAERN COCCN1C(=O)CC[C@H]2[C@H]1CCN2S(=O)(=O)C1CC1 ZINC000247907950 257115028 /nfs/dbraw/zinc/11/50/28/257115028.db2.gz XLSFYQJMJCVQJH-NEPJUHHUSA-N 0 0 302.396 0.190 10 0 DCAERN COCC(=O)NC[C@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000247818373 257117397 /nfs/dbraw/zinc/11/73/97/257117397.db2.gz HFCRCMVSECQZBN-GFCCVEGCSA-N 0 0 306.366 0.225 10 0 DCAERN O=S(=O)(C1CC1)N1C[C@@H]2OC[C@@H](CNc3ccccn3)[C@@H]2C1 ZINC000247292795 257120247 /nfs/dbraw/zinc/12/02/47/257120247.db2.gz BKJYYMBSFGTPQE-XBFCOCLRSA-N 0 0 323.418 0.933 10 0 DCAERN CO[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@H]1C ZINC000330941686 533450943 /nfs/dbraw/zinc/45/09/43/533450943.db2.gz FTDWAXDUVGTFOL-VXGBXAGGSA-N 0 0 311.382 0.544 10 0 DCAERN C[C@@H](O)CN(C(=O)c1cnc(-c2cnn(C)c2)s1)[C@@H](C)CO ZINC000189311567 533639969 /nfs/dbraw/zinc/63/99/69/533639969.db2.gz CUOHBWWFFNWVEO-VHSXEESVSA-N 0 0 324.406 0.747 10 0 DCAERN O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333155120 296463138 /nfs/dbraw/zinc/46/31/38/296463138.db2.gz LAYPPVNFSHRPHL-RHYQMDGZSA-N 0 0 307.437 0.672 10 0 DCAERN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC000275772127 130382165 /nfs/dbraw/zinc/38/21/65/130382165.db2.gz RJIVFNIYBAOPHU-QWRGUYRKSA-N 0 0 306.345 0.486 10 0 DCAERN Cc1nnc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@H](C)C2)o1 ZINC000277879230 130646614 /nfs/dbraw/zinc/64/66/14/130646614.db2.gz DPWOYVYEUHXDRV-JQWIXIFHSA-N 0 0 322.365 0.536 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000283602330 131007101 /nfs/dbraw/zinc/00/71/01/131007101.db2.gz UBXOEXARZJNKPH-VIFPVBQESA-N 0 0 319.408 0.274 10 0 DCAERN Cc1ccc(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)s1 ZINC000283907979 131032335 /nfs/dbraw/zinc/03/23/35/131032335.db2.gz GFIHVJULZIZHRV-OAHLLOKOSA-N 0 0 324.402 0.691 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@H]21 ZINC000283961391 131036431 /nfs/dbraw/zinc/03/64/31/131036431.db2.gz GNZHIOHRLILDON-CVEARBPZSA-N 0 0 314.389 0.968 10 0 DCAERN Cn1cc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000284082893 131046632 /nfs/dbraw/zinc/04/66/32/131046632.db2.gz RFPNYBCJHCKZKM-KGLIPLIRSA-N 0 0 307.398 0.077 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)cc1C ZINC000284407863 131078008 /nfs/dbraw/zinc/07/80/08/131078008.db2.gz CSIONQBKVAMECR-YPMHNXCESA-N 0 0 312.391 0.567 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@@H]21 ZINC000284486002 131085772 /nfs/dbraw/zinc/08/57/72/131085772.db2.gz MRTJSUJOHUXWMK-LSDHHAIUSA-N 0 0 314.389 0.808 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)s1 ZINC000284670425 131102704 /nfs/dbraw/zinc/10/27/04/131102704.db2.gz HPCPRDHANCRVCI-HZGVNTEJSA-N 0 0 303.409 0.502 10 0 DCAERN Cn1cc(CN2C[C@H](F)C[C@H]2C(N)=O)c(-c2cccnc2)n1 ZINC000284790457 131111569 /nfs/dbraw/zinc/11/15/69/131111569.db2.gz ZCLIFDZZDWFLBV-OLZOCXBDSA-N 0 0 303.341 0.880 10 0 DCAERN CC(C)c1noc(CCC(=O)N[C@H]2COC[C@H]2n2ccnn2)n1 ZINC000285009414 131130686 /nfs/dbraw/zinc/13/06/86/131130686.db2.gz GWLFONOVRHFWSP-WDEREUQCSA-N 0 0 320.353 0.473 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000285313813 131156925 /nfs/dbraw/zinc/15/69/25/131156925.db2.gz HRVUGLBYLJBRTH-NILFDRSVSA-N 0 0 321.425 0.904 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccc2c(c1)OCCO2 ZINC000285311705 131157229 /nfs/dbraw/zinc/15/72/29/131157229.db2.gz TVHIQNUYAZMOMO-NWDGAFQWSA-N 0 0 316.317 0.419 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@@H]21 ZINC000285431654 131167850 /nfs/dbraw/zinc/16/78/50/131167850.db2.gz JFDJMMZPSCMJKR-NWDGAFQWSA-N 0 0 316.365 0.666 10 0 DCAERN Cc1nc2cc(C(=O)N3CCC[C@@](O)(C(N)=O)C3)ccc2o1 ZINC000285487056 131173195 /nfs/dbraw/zinc/17/31/95/131173195.db2.gz LMYIVOGJWWTEJV-HNNXBMFYSA-N 0 0 303.318 0.589 10 0 DCAERN COc1ccnc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000285503826 131175041 /nfs/dbraw/zinc/17/50/41/131175041.db2.gz FNFFUZLGVGFGRA-AWEZNQCLSA-N 0 0 313.423 0.946 10 0 DCAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285633507 131187993 /nfs/dbraw/zinc/18/79/93/131187993.db2.gz SXTXKMKGOUKVLX-JRPNMDOOSA-N 0 0 308.403 0.999 10 0 DCAERN Cc1ccc(F)c(OCC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285642317 131189125 /nfs/dbraw/zinc/18/91/25/131189125.db2.gz UCQWIZWLHWZDIH-HNNXBMFYSA-N 0 0 310.325 0.352 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N1CCCN(c2cccnn2)CC1 ZINC000164080589 132130303 /nfs/dbraw/zinc/13/03/03/132130303.db2.gz YOQGPBQTRIUJDH-GFCCVEGCSA-N 0 0 304.350 0.469 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121898525 132160119 /nfs/dbraw/zinc/16/01/19/132160119.db2.gz RGDVNEUXRRYRDQ-NSHDSACASA-N 0 0 304.412 0.327 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173626248 285556358 /nfs/dbraw/zinc/55/63/58/285556358.db2.gz LOIMWNOVQMQAHR-ZJUUUORDSA-N 0 0 308.386 0.499 10 0 DCAERN Cc1ccc2c(c1O)N[C@H](O)[C@@H]1CC(/C=C\C(N)=O)=CN1C2=O ZINC000005782169 395682854 /nfs/dbraw/zinc/68/28/54/395682854.db2.gz VGQOVCHZGQWAOI-JRKASCDPSA-N 0 0 315.329 0.584 10 0 in-man DCAERN Cn1nccc1CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000030652173 395703575 /nfs/dbraw/zinc/70/35/75/395703575.db2.gz RPIFAZSWCOJKJK-UHFFFAOYSA-N 0 0 319.365 0.291 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NC(C)C ZINC000087025269 395705446 /nfs/dbraw/zinc/70/54/46/395705446.db2.gz AZIAOYXSDCFLGB-SNVBAGLBSA-N 0 0 308.386 0.499 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(F)cc1F ZINC000032819130 395713760 /nfs/dbraw/zinc/71/37/60/395713760.db2.gz UQTRJNVCMFLIDB-NSHDSACASA-N 0 0 300.305 0.388 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000033687529 395717671 /nfs/dbraw/zinc/71/76/71/395717671.db2.gz RCRKHCVABNUFON-SNVBAGLBSA-N 0 0 304.318 0.864 10 0 DCAERN O=C(Cn1nc2n(c1=O)CCCCC2)NCCc1ccccn1 ZINC000029440417 395698044 /nfs/dbraw/zinc/69/80/44/395698044.db2.gz AYTQRCSWLAJAHA-UHFFFAOYSA-N 0 0 315.377 0.525 10 0 DCAERN CCOC(=O)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000037565080 395727836 /nfs/dbraw/zinc/72/78/36/395727836.db2.gz ZJJQJQLVCSPRGC-UHFFFAOYSA-N 0 0 319.335 0.524 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ncccc2O)cc1 ZINC000037760492 395728972 /nfs/dbraw/zinc/72/89/72/395728972.db2.gz MYQHDDGIQMVYGX-UHFFFAOYSA-N 0 0 307.331 0.365 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000041880646 395740132 /nfs/dbraw/zinc/74/01/32/395740132.db2.gz UJJKXSONMZXMAD-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN Cc1nccn1-c1cncc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000092886570 395733605 /nfs/dbraw/zinc/73/36/05/395733605.db2.gz BZXRAEINYCBBDP-UHFFFAOYSA-N 0 0 322.394 0.052 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c1C ZINC000093050987 395735804 /nfs/dbraw/zinc/73/58/04/395735804.db2.gz KHXLHLZIEVEFKP-JOYOIKCWSA-N 0 0 301.412 0.911 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cnc2nc(C)cc(C)n12 ZINC000093103172 395735960 /nfs/dbraw/zinc/73/59/60/395735960.db2.gz LNFHZGIKBXAPDX-OLZOCXBDSA-N 0 0 304.350 0.454 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c(F)c1 ZINC000041601083 395738321 /nfs/dbraw/zinc/73/83/21/395738321.db2.gz QJFIJIBQRVSUBD-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000042631972 395746778 /nfs/dbraw/zinc/74/67/78/395746778.db2.gz QBRBVERGYPHUCB-NXEZZACHSA-N 0 0 319.452 0.938 10 0 DCAERN COC(=O)C1(NC(=O)[C@H]2CCS(=O)(=O)C2)CCC(C)CC1 ZINC000046823691 395779966 /nfs/dbraw/zinc/77/99/66/395779966.db2.gz XZKIVJPSARLSIU-CVZZAPKMSA-N 0 0 317.407 0.659 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000193888271 395781261 /nfs/dbraw/zinc/78/12/61/395781261.db2.gz GHYFAQMCIHUZAK-GFCCVEGCSA-N 0 0 300.355 0.866 10 0 DCAERN CSC1(CNS(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000194012201 395785175 /nfs/dbraw/zinc/78/51/75/395785175.db2.gz VRNGUDBSCFBNOO-UHFFFAOYSA-N 0 0 300.405 0.959 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@@H](N2CCCC2)C1)S(C)(=O)=O ZINC000107526466 395785639 /nfs/dbraw/zinc/78/56/39/395785639.db2.gz GNFYNFGRKFCKQS-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000046097895 395770477 /nfs/dbraw/zinc/77/04/77/395770477.db2.gz BQKFJDCPQGFMCB-TXEJJXNPSA-N 0 0 316.365 0.981 10 0 DCAERN COC[C@@H](C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000103519766 395773648 /nfs/dbraw/zinc/77/36/48/395773648.db2.gz IOKCLCIXAGYUSQ-UKRRQHHQSA-N 0 0 319.405 0.640 10 0 DCAERN COCCN(CC(F)F)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000103603215 395774725 /nfs/dbraw/zinc/77/47/25/395774725.db2.gz ZWZQKKDWPUQAHA-LLVKDONJSA-N 0 0 309.357 0.630 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)NC[C@@H]1CCC[N@H+]1C)c2=O ZINC000194699311 395804831 /nfs/dbraw/zinc/80/48/31/395804831.db2.gz NXGOHYBALUCIRS-LBPRGKRZSA-N 0 0 300.362 0.827 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000052053000 395858301 /nfs/dbraw/zinc/85/83/01/395858301.db2.gz YOGHIRDMDAGSQL-UHFFFAOYSA-N 0 0 311.407 0.806 10 0 DCAERN Cc1cnn(CCNC(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000118063411 395858382 /nfs/dbraw/zinc/85/83/82/395858382.db2.gz VSQFFVGFXZQDSV-UHFFFAOYSA-N 0 0 307.276 0.169 10 0 DCAERN Cc1ccn(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(=O)c1 ZINC000194771988 395807483 /nfs/dbraw/zinc/80/74/83/395807483.db2.gz JUSVBXXZTKVFMT-GJZGRUSLSA-N 0 0 319.405 0.336 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CCn2cccn2)cc1 ZINC000111357155 395808326 /nfs/dbraw/zinc/80/83/26/395808326.db2.gz VJXNOGAWNAONAC-UHFFFAOYSA-N 0 0 322.390 0.563 10 0 DCAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000048112203 395808601 /nfs/dbraw/zinc/80/86/01/395808601.db2.gz DYJREYKRMKFWCY-MFKMUULPSA-N 0 0 301.346 0.853 10 0 DCAERN Cn1cc(NC(=O)NCCNC(=O)c2cccs2)ccc1=O ZINC000194807997 395808656 /nfs/dbraw/zinc/80/86/56/395808656.db2.gz DAZWVQMRBXQPGU-UHFFFAOYSA-N 0 0 320.374 0.998 10 0 DCAERN CCOCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111813238 395813279 /nfs/dbraw/zinc/81/32/79/395813279.db2.gz ZSFACGLGEWDUEO-AWEZNQCLSA-N 0 0 310.398 0.947 10 0 DCAERN CCc1oc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1C ZINC000195020090 395813614 /nfs/dbraw/zinc/81/36/14/395813614.db2.gz JPZYSERPDSWRRJ-HNNXBMFYSA-N 0 0 305.334 0.965 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195058968 395814973 /nfs/dbraw/zinc/81/49/73/395814973.db2.gz PDTWOIVKKVRUNL-ZDUSSCGKSA-N 0 0 323.445 0.286 10 0 DCAERN C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)C(C)(C)C ZINC000112308149 395816404 /nfs/dbraw/zinc/81/64/04/395816404.db2.gz BZNVTQBQEXCPPA-SECBINFHSA-N 0 0 302.400 0.249 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000195277120 395823058 /nfs/dbraw/zinc/82/30/58/395823058.db2.gz BIVVKLUPBIGXJZ-NWDGAFQWSA-N 0 0 319.409 0.701 10 0 DCAERN COCCOCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286304 395823676 /nfs/dbraw/zinc/82/36/76/395823676.db2.gz WLRAYPVDANCGIW-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN Cn1c(=O)cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n(C)c1=O ZINC000195345572 395825592 /nfs/dbraw/zinc/82/55/92/395825592.db2.gz MMYLQRDNQXOQRG-NSHDSACASA-N 0 0 320.418 0.920 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CCCOC1 ZINC000195484195 395829014 /nfs/dbraw/zinc/82/90/14/395829014.db2.gz YSBYLCINPFLBPS-SECBINFHSA-N 0 0 318.420 0.860 10 0 DCAERN CNC(=O)NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510809 395830797 /nfs/dbraw/zinc/83/07/97/395830797.db2.gz FEMMXMLMWCLMBU-LLVKDONJSA-N 0 0 320.397 0.597 10 0 DCAERN C[C@@H](O)CCNC(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000114826505 395837023 /nfs/dbraw/zinc/83/70/23/395837023.db2.gz RWUKCFWHHBZGBY-GFCCVEGCSA-N 0 0 314.407 0.921 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115555 395860196 /nfs/dbraw/zinc/86/01/96/395860196.db2.gz PCELVQWZPABZOW-LBPRGKRZSA-N 0 0 311.769 0.725 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000118115840 395860281 /nfs/dbraw/zinc/86/02/81/395860281.db2.gz JNJDEAIAUVKJIN-SNVBAGLBSA-N 0 0 313.304 0.350 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC000116782222 395845422 /nfs/dbraw/zinc/84/54/22/395845422.db2.gz HDOLMHPGOXCDJO-KGLIPLIRSA-N 0 0 319.409 0.612 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(Cl)n2)C1 ZINC000116830548 395846412 /nfs/dbraw/zinc/84/64/12/395846412.db2.gz DZQMYBHAQIXVDQ-MRVPVSSYSA-N 0 0 303.771 0.499 10 0 DCAERN O=S(=O)(NC[C@@H]1Cc2ccccc2CO1)N1CCOCC1 ZINC000219844516 395846448 /nfs/dbraw/zinc/84/64/48/395846448.db2.gz TTZDBHKGUGQNNM-AWEZNQCLSA-N 0 0 312.391 0.295 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000116836106 395847954 /nfs/dbraw/zinc/84/79/54/395847954.db2.gz DOFOOHVKAAABMX-SECBINFHSA-N 0 0 304.318 0.729 10 0 DCAERN COCCN1CCN(C(=O)c2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000117285022 395850943 /nfs/dbraw/zinc/85/09/43/395850943.db2.gz SMVNEMPOKLSKIV-LBPRGKRZSA-N 0 0 305.378 0.578 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000117471208 395853324 /nfs/dbraw/zinc/85/33/24/395853324.db2.gz OLJOUJJHGCUCGL-GFCCVEGCSA-N 0 0 320.393 0.709 10 0 DCAERN Cc1cnn(CCNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000117810969 395855042 /nfs/dbraw/zinc/85/50/42/395855042.db2.gz KBHHPYOYAJADOR-UHFFFAOYSA-N 0 0 321.381 0.418 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H](C)Sc2nnnn2C2CC2)c1 ZINC000117815866 395855169 /nfs/dbraw/zinc/85/51/69/395855169.db2.gz ADXKFDASNSNNHM-SNVBAGLBSA-N 0 0 321.410 0.810 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000270651651 395794195 /nfs/dbraw/zinc/79/41/95/395794195.db2.gz QVJDMZCKMHSVTQ-YNEHKIRRSA-N 0 0 305.382 0.922 10 0 DCAERN Cn1cc([C@@H]2CCCN2c2ncc(S(N)(=O)=O)s2)cn1 ZINC000108946198 395795517 /nfs/dbraw/zinc/79/55/17/395795517.db2.gz LKCGOZCQWCDYQW-VIFPVBQESA-N 0 0 313.408 0.866 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@@H]1C ZINC000194399724 395795747 /nfs/dbraw/zinc/79/57/47/395795747.db2.gz DEMAGWLPHCZUBF-MJBXVCDLSA-N 0 0 311.426 0.613 10 0 DCAERN CCOC(=O)CN[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000194450029 395797484 /nfs/dbraw/zinc/79/74/84/395797484.db2.gz WHBDBVFUDHUCPU-AWEZNQCLSA-N 0 0 306.362 0.949 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCOCCC(C)C)cn1 ZINC000194501862 395798071 /nfs/dbraw/zinc/79/80/71/395798071.db2.gz RGHOOFOZWLOBCM-UHFFFAOYSA-N 0 0 311.386 0.813 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NCCCc1cccc(F)c1 ZINC000109700474 395798939 /nfs/dbraw/zinc/79/89/39/395798939.db2.gz XOHAFJJQVLNQRB-JTQLQIEISA-N 0 0 302.371 0.812 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cc(F)cc3nccnc32)C1 ZINC000194604442 395801550 /nfs/dbraw/zinc/80/15/50/395801550.db2.gz VVZHEHRYZQKZRC-NSHDSACASA-N 0 0 304.325 0.829 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CN(C)CCO1)C(C)C ZINC000194607379 395801664 /nfs/dbraw/zinc/80/16/64/395801664.db2.gz RLLDEDNEBXJXIP-ZFWWWQNUSA-N 0 0 313.442 0.620 10 0 DCAERN CC(C)[C@H](C(=O)N1CC(CO)C1)n1nnc(-c2ccccc2)n1 ZINC000122762332 395889488 /nfs/dbraw/zinc/88/94/88/395889488.db2.gz KVSCDYGAIUSKPM-CQSZACIVSA-N 0 0 315.377 0.988 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000123260956 395892543 /nfs/dbraw/zinc/89/25/43/395892543.db2.gz XOQULHSXUIKQRN-NHYWBVRUSA-N 0 0 306.366 0.512 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000123360704 395893500 /nfs/dbraw/zinc/89/35/00/395893500.db2.gz GKHHUTCGKMIPPB-BZNIZROVSA-N 0 0 314.345 0.955 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccnn1C ZINC000056387614 395929770 /nfs/dbraw/zinc/92/97/70/395929770.db2.gz DBANNKDWHKMNAJ-UHFFFAOYSA-N 0 0 315.377 0.878 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ccnn1C ZINC000124441978 395900933 /nfs/dbraw/zinc/90/09/33/395900933.db2.gz IVRWNEMTFIWGCE-MNOVXSKESA-N 0 0 301.412 0.633 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@H](C)Cn3cncn3)nn2)cc1 ZINC000125276179 395902664 /nfs/dbraw/zinc/90/26/64/395902664.db2.gz SIWRIFHIMRRGRV-GFCCVEGCSA-N 0 0 311.349 0.986 10 0 DCAERN CC[NH2+][C@H](C)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1 ZINC000127384308 395915041 /nfs/dbraw/zinc/91/50/41/395915041.db2.gz MORLTPZCRAPYOK-SECBINFHSA-N 0 0 310.383 0.681 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000273376068 395916946 /nfs/dbraw/zinc/91/69/46/395916946.db2.gz GLNQKTMSUKJLAT-AHIWAGSCSA-N 0 0 319.357 0.829 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2cnccn2)CC1 ZINC000134473391 395931451 /nfs/dbraw/zinc/93/14/51/395931451.db2.gz CYWQBKMJYWTYHI-LBPRGKRZSA-N 0 0 312.377 0.968 10 0 DCAERN COCCN(CCOC)C(=O)NCCCN1CCCC1=O ZINC000243263713 395924396 /nfs/dbraw/zinc/92/43/96/395924396.db2.gz KUOLFLAOWWIOPJ-UHFFFAOYSA-N 0 0 301.387 0.303 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000131904453 395926073 /nfs/dbraw/zinc/92/60/73/395926073.db2.gz ULMJTHLCQKUTBC-ZIAGYGMSSA-N 0 0 310.442 0.187 10 0 DCAERN CSC[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000132679635 395927693 /nfs/dbraw/zinc/92/76/93/395927693.db2.gz YYDNNHJBVPFTBA-RYUDHWBXSA-N 0 0 302.440 0.864 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000227249636 395868816 /nfs/dbraw/zinc/86/88/16/395868816.db2.gz KGOWVMHJSPBFBM-GHMZBOCLSA-N 0 0 303.380 0.115 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000227643285 395869359 /nfs/dbraw/zinc/86/93/59/395869359.db2.gz HDAACCQWDKWEMX-JQWIXIFHSA-N 0 0 304.412 0.030 10 0 DCAERN CCOC(=O)CCCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000119439634 395871055 /nfs/dbraw/zinc/87/10/55/395871055.db2.gz JNZMDLIENHMKSB-UHFFFAOYSA-N 0 0 305.334 0.789 10 0 DCAERN CCN1CC(=O)N([C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272194995 395876535 /nfs/dbraw/zinc/87/65/35/395876535.db2.gz QKKBLJOCPPRNQQ-LLVKDONJSA-N 0 0 319.365 0.508 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N(C)CC(=O)NC(C)(C)C)nc2n1 ZINC000053287157 395879791 /nfs/dbraw/zinc/87/97/91/395879791.db2.gz LGGOLBQANVUVRT-UHFFFAOYSA-N 0 0 318.381 0.728 10 0 DCAERN COCCO[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000245613639 395933478 /nfs/dbraw/zinc/93/34/78/395933478.db2.gz MAIFGLOTKQKAQQ-KGLIPLIRSA-N 0 0 300.399 0.097 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000273625965 395934351 /nfs/dbraw/zinc/93/43/51/395934351.db2.gz RRKPTPJHWVBIRX-PWSUYJOCSA-N 0 0 307.350 0.171 10 0 DCAERN COc1ccccc1OC[C@@H](C)CNC(=O)[C@H]1CNC(=O)C1 ZINC000134978908 395936541 /nfs/dbraw/zinc/93/65/41/395936541.db2.gz MFINRADGXJAEER-NWDGAFQWSA-N 0 0 306.362 0.962 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)O1 ZINC000245961375 395939361 /nfs/dbraw/zinc/93/93/61/395939361.db2.gz CUMKXKVTEGOTTA-FRRDWIJNSA-N 0 0 318.439 0.874 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NC[C@H]1CCCO1 ZINC000248863860 395998976 /nfs/dbraw/zinc/99/89/76/395998976.db2.gz SMTAAPVHILEONP-BHPKHCPMSA-N 0 0 310.394 0.555 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000246195386 395943930 /nfs/dbraw/zinc/94/39/30/395943930.db2.gz TVFRPFYPIWXBNR-MNOVXSKESA-N 0 0 308.407 0.836 10 0 DCAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](C)O)c1 ZINC000136062680 395944636 /nfs/dbraw/zinc/94/46/36/395944636.db2.gz HTJUEDDTPISHGK-MRVPVSSYSA-N 0 0 320.798 0.749 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000246346193 395948147 /nfs/dbraw/zinc/94/81/47/395948147.db2.gz FHZIVNIIXFIUCX-MHWZDGSBSA-N 0 0 304.346 0.700 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1N1CCOCC1 ZINC000246430476 395949676 /nfs/dbraw/zinc/94/96/76/395949676.db2.gz GUYKEKSKJDNYJJ-UKRRQHHQSA-N 0 0 318.421 0.940 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000274465921 395950366 /nfs/dbraw/zinc/95/03/66/395950366.db2.gz LHWLNQYPUHXFIZ-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN CC(C)(C)OC(=O)N1CCN(c2nccnc2OCCO)CC1 ZINC000137408100 395950738 /nfs/dbraw/zinc/95/07/38/395950738.db2.gz ATCSWYASYIDBBB-UHFFFAOYSA-N 0 0 324.381 0.905 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000138530400 395952065 /nfs/dbraw/zinc/95/20/65/395952065.db2.gz ZBZYTZOVIHVQDI-AWEZNQCLSA-N 0 0 321.425 0.341 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)C1 ZINC000246563650 395952591 /nfs/dbraw/zinc/95/25/91/395952591.db2.gz XZUFTIMQQRKGCC-KKUMJFAQSA-N 0 0 323.437 0.424 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)CO ZINC000246865153 395959432 /nfs/dbraw/zinc/95/94/32/395959432.db2.gz UKLLUAFDWXETCX-QJPTWQEYSA-N 0 0 306.428 0.324 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccnc3)[C@H]2C1 ZINC000246956623 395962149 /nfs/dbraw/zinc/96/21/49/395962149.db2.gz SMWFNOFHARFZIO-PMPSAXMXSA-N 0 0 319.405 0.966 10 0 DCAERN CCN(C)[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000152117877 396000505 /nfs/dbraw/zinc/00/05/05/396000505.db2.gz TUFVUDVEBMYYMM-TZMCWYRMSA-N 0 0 303.362 0.601 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000247067363 395965380 /nfs/dbraw/zinc/96/53/80/395965380.db2.gz KNHOECWSGOSFKO-JOYOIKCWSA-N 0 0 320.361 0.622 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247190919 395968520 /nfs/dbraw/zinc/96/85/20/395968520.db2.gz SSUVADASCRUXEZ-RRFJBIMHSA-N 0 0 312.410 0.504 10 0 DCAERN COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)CC1CC1 ZINC000149448822 395969329 /nfs/dbraw/zinc/96/93/29/395969329.db2.gz ULPXZLYROBWUJJ-LBPRGKRZSA-N 0 0 305.396 0.770 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1CSCCS1 ZINC000247264122 395970338 /nfs/dbraw/zinc/97/03/38/395970338.db2.gz VORLECSLBXAIBF-VXGBXAGGSA-N 0 0 302.465 0.814 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@H]1O)CC2 ZINC000247287676 395970660 /nfs/dbraw/zinc/97/06/60/395970660.db2.gz DTZWBHTYZXWRDH-IJLUTSLNSA-N 0 0 307.398 0.929 10 0 DCAERN COCCN1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC000247261565 395970681 /nfs/dbraw/zinc/97/06/81/395970681.db2.gz YQAXWEHCESPQQV-UONOGXRCSA-N 0 0 312.458 0.831 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)cc12 ZINC000150276278 395970894 /nfs/dbraw/zinc/97/08/94/395970894.db2.gz LUFSPYNFYUJDQQ-WPRPVWTQSA-N 0 0 301.350 0.992 10 0 DCAERN O=C(CSC[C@@H](O)CO)NC[C@H]1CCN(c2ccccc2)C1 ZINC000247379075 395972221 /nfs/dbraw/zinc/97/22/21/395972221.db2.gz TZEKLJWVQBSBHO-HIFRSBDPSA-N 0 0 324.446 0.716 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000150781960 395972824 /nfs/dbraw/zinc/97/28/24/395972824.db2.gz FWSDHLAEAHSNOX-LBPRGKRZSA-N 0 0 306.366 0.546 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801214 395973403 /nfs/dbraw/zinc/97/34/03/395973403.db2.gz QWVKSCUHQUXWGD-LLVKDONJSA-N 0 0 317.353 0.114 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2cccs2)CCS1(=O)=O ZINC000151053518 395977979 /nfs/dbraw/zinc/97/79/79/395977979.db2.gz LSFBPQPKUGYOTA-NSHDSACASA-N 0 0 316.448 0.825 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000151084464 395978791 /nfs/dbraw/zinc/97/87/91/395978791.db2.gz QWWGUPYRPOKUQQ-RNCFNFMXSA-N 0 0 300.380 0.628 10 0 DCAERN O=C(NCc1ccco1)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313542 395992111 /nfs/dbraw/zinc/99/21/11/395992111.db2.gz JLZODFSVZKCPTF-NSHDSACASA-N 0 0 302.334 0.896 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634199 395992558 /nfs/dbraw/zinc/99/25/58/395992558.db2.gz JMWKNIQXGXUMSW-OCCSQVGLSA-N 0 0 302.440 0.472 10 0 DCAERN Cc1ccnc2nc(C(=O)Nc3cnn(-c4ncccn4)c3)nn21 ZINC000151871546 395994871 /nfs/dbraw/zinc/99/48/71/395994871.db2.gz BXNUTRJKQAITQM-UHFFFAOYSA-N 0 0 321.304 0.661 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000151960330 395997374 /nfs/dbraw/zinc/99/73/74/395997374.db2.gz HIYIOPZVNOGFOE-SNVBAGLBSA-N 0 0 316.379 0.291 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248822153 395997807 /nfs/dbraw/zinc/99/78/07/395997807.db2.gz JMKAASVTHNFTBA-TUAOUCFPSA-N 0 0 304.412 0.199 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000153350417 396023779 /nfs/dbraw/zinc/02/37/79/396023779.db2.gz UZKFPMFIGNWFGU-GFCCVEGCSA-N 0 0 311.357 0.969 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000252802617 396024929 /nfs/dbraw/zinc/02/49/29/396024929.db2.gz PIYFZUGBXSWVIM-MCIONIFRSA-N 0 0 309.410 0.354 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@@H]2CCNC(=O)C2)c2ccccc2)[nH]1 ZINC000153987088 396028147 /nfs/dbraw/zinc/02/81/47/396028147.db2.gz NREIYHJUXWIDFC-TZMCWYRMSA-N 0 0 313.361 0.845 10 0 DCAERN CC(=O)N1CCN(c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC000253442212 396028676 /nfs/dbraw/zinc/02/86/76/396028676.db2.gz WUWQTQIVIHCPRA-UHFFFAOYSA-N 0 0 317.393 0.818 10 0 DCAERN COc1ccc(CCC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154134330 396031950 /nfs/dbraw/zinc/03/19/50/396031950.db2.gz OHWLYDBZMXWNCE-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](O)CN2CCOCC2)c(C)c1 ZINC000154139223 396031973 /nfs/dbraw/zinc/03/19/73/396031973.db2.gz IQUPSKSBWCIHQH-HNNXBMFYSA-N 0 0 322.405 0.492 10 0 DCAERN COc1cccc(C(=O)NCCNC(=O)C[C@H](O)C(C)C)c1 ZINC000154985517 396045631 /nfs/dbraw/zinc/04/56/31/396045631.db2.gz BYUADCNYADOBNN-AWEZNQCLSA-N 0 0 308.378 0.948 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCS1(=O)=O ZINC000155481426 396052146 /nfs/dbraw/zinc/05/21/46/396052146.db2.gz RLPSMKKQWIASPH-YPMHNXCESA-N 0 0 317.382 0.684 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2ccc(F)cc2)CCS1(=O)=O ZINC000155553754 396054024 /nfs/dbraw/zinc/05/40/24/396054024.db2.gz DLXOWTIGLZANDH-LLVKDONJSA-N 0 0 314.382 0.561 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCc3ccccc3C2)CCS1(=O)=O ZINC000155610558 396054646 /nfs/dbraw/zinc/05/46/46/396054646.db2.gz LRBKUTMKIFFOLH-ZDUSSCGKSA-N 0 0 322.430 0.690 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000068629819 396060702 /nfs/dbraw/zinc/06/07/02/396060702.db2.gz NQFBMVRSQFKCJM-YNEHKIRRSA-N 0 0 314.430 0.310 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cncc(F)c1 ZINC000068961405 396067277 /nfs/dbraw/zinc/06/72/77/396067277.db2.gz TWVOBAMSVMXUDT-RKDXNWHRSA-N 0 0 301.343 0.495 10 0 DCAERN O=C(CCCOc1cccc(F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000152187011 396003162 /nfs/dbraw/zinc/00/31/62/396003162.db2.gz ZDKFUPBRNDMDBA-GFCCVEGCSA-N 0 0 308.309 0.906 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)O1 ZINC000249151794 396003446 /nfs/dbraw/zinc/00/34/46/396003446.db2.gz URLDKLCTVARYLG-RDBSUJKOSA-N 0 0 322.336 0.838 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC23CCC3)C1 ZINC000152245598 396004627 /nfs/dbraw/zinc/00/46/27/396004627.db2.gz HXJVEYMEJIKCSV-GFCCVEGCSA-N 0 0 316.423 0.440 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@@H]3OCCC[C@@H]13)c2O ZINC000249256817 396004689 /nfs/dbraw/zinc/00/46/89/396004689.db2.gz YMVNOKKARJDBKR-AXTRIDKLSA-N 0 0 302.334 0.971 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CCCC1=O ZINC000249314538 396006477 /nfs/dbraw/zinc/00/64/77/396006477.db2.gz JNRNOXZZKBJNNW-XQQFMLRXSA-N 0 0 308.378 0.942 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000249370163 396006850 /nfs/dbraw/zinc/00/68/50/396006850.db2.gz OWAOTTHDQMNMAR-USWWRNFRSA-N 0 0 305.334 0.403 10 0 DCAERN COc1cccc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000251829443 396017390 /nfs/dbraw/zinc/01/73/90/396017390.db2.gz SNFWORFYXMFFLK-OLZOCXBDSA-N 0 0 307.394 0.546 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)n1 ZINC000251913320 396018339 /nfs/dbraw/zinc/01/83/39/396018339.db2.gz RVRLWVBOFOXTAC-AEGPPILISA-N 0 0 323.393 0.938 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000276666242 396019644 /nfs/dbraw/zinc/01/96/44/396019644.db2.gz MXBOLBWMVXGTJF-KBPBESRZSA-N 0 0 319.409 0.537 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000169319091 396090154 /nfs/dbraw/zinc/09/01/54/396090154.db2.gz BFHSOUBSVBDGEA-GHYVTOPFSA-N 0 0 308.378 0.533 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000170816424 396098445 /nfs/dbraw/zinc/09/84/45/396098445.db2.gz GAHYPHXXJJYVAR-LLVKDONJSA-N 0 0 306.366 0.791 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1CCN(C2CC2)CC1 ZINC000171086085 396106482 /nfs/dbraw/zinc/10/64/82/396106482.db2.gz WSERNQCPVIAFDV-UHFFFAOYSA-N 0 0 324.402 0.927 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000171202103 396111356 /nfs/dbraw/zinc/11/13/56/396111356.db2.gz XIRHDYXDPLSKHC-GHMZBOCLSA-N 0 0 301.306 0.625 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000171286304 396112617 /nfs/dbraw/zinc/11/26/17/396112617.db2.gz ZNLGKCGXIFIUAS-GFCCVEGCSA-N 0 0 309.341 0.845 10 0 DCAERN COc1cc(F)ccc1N1CCN(Cc2noc(CN)n2)CC1 ZINC000262235440 396113470 /nfs/dbraw/zinc/11/34/70/396113470.db2.gz OJEDOMOWFVTDCR-UHFFFAOYSA-N 0 0 321.356 0.998 10 0 DCAERN Cc1occc1C(=O)NC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000171293856 396113949 /nfs/dbraw/zinc/11/39/49/396113949.db2.gz UWHVSXZNKXUTJQ-NSHDSACASA-N 0 0 319.361 0.445 10 0 DCAERN COc1ccnc(N2CCN(CCCS(C)(=O)=O)CC2)n1 ZINC000171380399 396116069 /nfs/dbraw/zinc/11/60/69/396116069.db2.gz MRNLQLWPHAAPGS-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)C2)o1 ZINC000171571191 396118952 /nfs/dbraw/zinc/11/89/52/396118952.db2.gz QIDLFFPDYGLJJA-QMMMGPOBSA-N 0 0 304.393 0.765 10 0 DCAERN CN(C(=O)CCn1ccnn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000171856255 396126873 /nfs/dbraw/zinc/12/68/73/396126873.db2.gz IPZRLYUSLBQYPY-AWEZNQCLSA-N 0 0 313.361 0.932 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000172604442 396132252 /nfs/dbraw/zinc/13/22/52/396132252.db2.gz NTGFAHOFNLZQIE-LLVKDONJSA-N 0 0 303.405 0.803 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174422873 396138140 /nfs/dbraw/zinc/13/81/40/396138140.db2.gz YTDAUDXBYNBRQO-ZDUSSCGKSA-N 0 0 321.377 0.487 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCNC2=O)C1 ZINC000069337806 396075465 /nfs/dbraw/zinc/07/54/65/396075465.db2.gz YMUYVUORHSBWTH-NEPJUHHUSA-N 0 0 309.410 0.666 10 0 DCAERN COc1ccc(OC)c(CN(CCO)Cc2noc(CN)n2)c1 ZINC000261886479 396075842 /nfs/dbraw/zinc/07/58/42/396075842.db2.gz ZDVNZRNZUDZXSH-UHFFFAOYSA-N 0 0 322.365 0.540 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCCOCCO)cc1C ZINC000162896695 396083893 /nfs/dbraw/zinc/08/38/93/396083893.db2.gz PCHVFERAWHZLTO-UHFFFAOYSA-N 0 0 308.378 0.548 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCCN(c2cccnn2)CC1 ZINC000263310228 396213021 /nfs/dbraw/zinc/21/30/21/396213021.db2.gz YLDIMZWHIXKDOG-NSHDSACASA-N 0 0 311.336 0.513 10 0 DCAERN CCOCCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000175958467 396147021 /nfs/dbraw/zinc/14/70/21/396147021.db2.gz OOLIUMZPSVUKOF-UHFFFAOYSA-N 0 0 307.398 0.141 10 0 DCAERN COC(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000178802362 396209820 /nfs/dbraw/zinc/20/98/20/396209820.db2.gz QITLZWBBPLAKBC-MNOVXSKESA-N 0 0 308.334 0.952 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2)C[C@H]1N1CCOCC1 ZINC000177296895 396171323 /nfs/dbraw/zinc/17/13/23/396171323.db2.gz RTHQJGGIQUUNSS-UKRRQHHQSA-N 0 0 304.394 0.944 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(CC(F)(F)F)CC1 ZINC000262733019 396176267 /nfs/dbraw/zinc/17/62/67/396176267.db2.gz BUPJFTQVSRXNLV-MRVPVSSYSA-N 0 0 301.259 0.690 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000262728946 396176287 /nfs/dbraw/zinc/17/62/87/396176287.db2.gz BGPXWEUFQVKBDE-MNOVXSKESA-N 0 0 303.353 0.748 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1nc2c(s1)COCC2 ZINC000178010130 396187538 /nfs/dbraw/zinc/18/75/38/396187538.db2.gz UMNOYKJGDYMQSV-UHFFFAOYSA-N 0 0 318.358 0.979 10 0 DCAERN CC(C)N1C(=O)CN(CCN2C(=O)NC(C)(C)C2=O)CC1(C)C ZINC000075924830 396190230 /nfs/dbraw/zinc/19/02/30/396190230.db2.gz FRMJFFQKWFMIRM-UHFFFAOYSA-N 0 0 324.425 0.648 10 0 DCAERN COc1cccc(OCCN2CCN([C@@H]3CCNC3=O)CC2)c1 ZINC000178211534 396192032 /nfs/dbraw/zinc/19/20/32/396192032.db2.gz JZCZOPKNSHOKCF-MRXNPFEDSA-N 0 0 319.405 0.580 10 0 DCAERN O=C1NCC[C@H]1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000178294677 396193273 /nfs/dbraw/zinc/19/32/73/396193273.db2.gz ANVOSSLOWTWZTJ-CQSZACIVSA-N 0 0 323.418 0.272 10 0 DCAERN O=C(CCNC(=O)[C@H]1CC(F)(F)CN1)N1CCCCCC1 ZINC000262950920 396193939 /nfs/dbraw/zinc/19/39/39/396193939.db2.gz JQRYDLXSCMIBSI-LLVKDONJSA-N 0 0 303.353 0.893 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263024371 396198655 /nfs/dbraw/zinc/19/86/55/396198655.db2.gz RFCZDUFEXDJZRS-WCQYABFASA-N 0 0 314.336 0.491 10 0 DCAERN CCC1(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCC1 ZINC000178585915 396200297 /nfs/dbraw/zinc/20/02/97/396200297.db2.gz UFGBBWNNRRPSSQ-UHFFFAOYSA-N 0 0 309.391 0.933 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(OCC(N)=O)c2)n1 ZINC000263162406 396203676 /nfs/dbraw/zinc/20/36/76/396203676.db2.gz DXSRDMAXVCIWPO-LBPRGKRZSA-N 0 0 317.349 0.177 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(Cc2noc(C)n2)CC1 ZINC000078251744 396240610 /nfs/dbraw/zinc/24/06/10/396240610.db2.gz XWYVFBFUWFBJPF-UHFFFAOYSA-N 0 0 316.365 0.455 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@H]1CCC[C@H]1O ZINC000078497796 396246527 /nfs/dbraw/zinc/24/65/27/396246527.db2.gz RJOLQVYISIWDQE-MWLCHTKSSA-N 0 0 305.338 0.572 10 0 DCAERN CCOc1ncccc1CNC(=O)NCCCn1ccnn1 ZINC000182155870 396247659 /nfs/dbraw/zinc/24/76/59/396247659.db2.gz AXZILNJMSDBVMX-UHFFFAOYSA-N 0 0 304.354 0.961 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H]1O ZINC000408093008 296530304 /nfs/dbraw/zinc/53/03/04/296530304.db2.gz MOOOJYWSTUZXLL-ZYUZMQFOSA-N 0 0 308.300 0.673 10 0 DCAERN CC(C)OCCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000182340662 396249673 /nfs/dbraw/zinc/24/96/73/396249673.db2.gz ZPDWEVNEFRMPER-UHFFFAOYSA-N 0 0 321.381 0.451 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000182466248 396250756 /nfs/dbraw/zinc/25/07/56/396250756.db2.gz RZZYFOPGTRFOLV-UONOGXRCSA-N 0 0 301.350 0.626 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CC(N)=O)cn1 ZINC000184037553 396282015 /nfs/dbraw/zinc/28/20/15/396282015.db2.gz JMVKZCBIEFFKQM-LBPRGKRZSA-N 0 0 323.397 0.499 10 0 DCAERN COc1cccc([C@H]2C[C@H](O)CN2C(=O)C2CN(C(C)=O)C2)c1 ZINC000281988751 396254663 /nfs/dbraw/zinc/25/46/63/396254663.db2.gz AHGHATSFYTWZGF-GOEBONIOSA-N 0 0 318.373 0.808 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000182906987 396256695 /nfs/dbraw/zinc/25/66/95/396256695.db2.gz KDBKHVIQZQZKLY-QMMMGPOBSA-N 0 0 314.748 0.842 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NCCCn1ccnn1 ZINC000183001556 396258361 /nfs/dbraw/zinc/25/83/61/396258361.db2.gz QSAJNLVQRRUGJN-UHFFFAOYSA-N 0 0 302.400 0.389 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCc2ccnn2C)c1 ZINC000183065205 396260156 /nfs/dbraw/zinc/26/01/56/396260156.db2.gz BTGMBXSFTIXSTC-UHFFFAOYSA-N 0 0 302.334 0.475 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000079048948 396260332 /nfs/dbraw/zinc/26/03/32/396260332.db2.gz DOEBJLQPGJAZDI-GHMZBOCLSA-N 0 0 318.381 0.457 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)NCCCn2ccnn2)c1 ZINC000183465342 396269947 /nfs/dbraw/zinc/26/99/47/396269947.db2.gz PZBUPGOTODXFJF-UHFFFAOYSA-N 0 0 306.301 0.728 10 0 DCAERN C[C@H](C(=O)N1CCNC(=O)CC1)n1nnc(-c2ccccc2)n1 ZINC000079999495 396273735 /nfs/dbraw/zinc/27/37/35/396273735.db2.gz XPFMXZIFQJLSJP-LLVKDONJSA-N 0 0 314.349 0.250 10 0 DCAERN CC(C)NS(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000080047006 396274414 /nfs/dbraw/zinc/27/44/14/396274414.db2.gz DVHYCKMXVKREEA-LLVKDONJSA-N 0 0 314.407 0.874 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)ncn1 ZINC000183833644 396275839 /nfs/dbraw/zinc/27/58/39/396275839.db2.gz GMLFHXORNVOVKH-NEPJUHHUSA-N 0 0 306.366 0.701 10 0 DCAERN O=C(CN1CCCN(c2ccccn2)CC1)N1CCOCC1 ZINC000183830263 396276123 /nfs/dbraw/zinc/27/61/23/396276123.db2.gz QCLOMNGEWMLDPM-UHFFFAOYSA-N 0 0 304.394 0.453 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000183962141 396279176 /nfs/dbraw/zinc/27/91/76/396279176.db2.gz DYCYXUCPYCCIKJ-LBPRGKRZSA-N 0 0 313.427 0.988 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263318475 396213276 /nfs/dbraw/zinc/21/32/76/396213276.db2.gz ZVHLEYWLZZUUOA-NWDGAFQWSA-N 0 0 300.305 0.842 10 0 DCAERN Cc1cc(NCC(C)(C)N2CCS(=O)CC2)n2ncnc2n1 ZINC000077210049 396214435 /nfs/dbraw/zinc/21/44/35/396214435.db2.gz FTKHLIVTFTYMHQ-UHFFFAOYSA-N 0 0 322.438 0.688 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cnc2ccccn2c1=O ZINC000077207432 396214759 /nfs/dbraw/zinc/21/47/59/396214759.db2.gz PVOGRESNSWJPKD-DGCLKSJQSA-N 0 0 301.346 0.975 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000263701568 396225064 /nfs/dbraw/zinc/22/50/64/396225064.db2.gz OYAMJEGFNUGGEL-JSGCOSHPSA-N 0 0 302.334 0.878 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@](C)(O)c2ccsc2)CCC1=O ZINC000077582968 396226309 /nfs/dbraw/zinc/22/63/09/396226309.db2.gz HMHKGRCKXQYDAJ-SMDDNHRTSA-N 0 0 311.407 0.876 10 0 DCAERN C[S@](=O)C1(CNS(=O)(=O)c2ccccc2N)CCC1 ZINC000280870303 396226910 /nfs/dbraw/zinc/22/69/10/396226910.db2.gz ZXYUUNSCLWWZDO-SFHVURJKSA-N 0 0 302.421 0.848 10 0 DCAERN CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000077612385 396227350 /nfs/dbraw/zinc/22/73/50/396227350.db2.gz CPUIHBANYYCNRD-WFASDCNBSA-N 0 0 318.377 0.243 10 0 DCAERN CCCN(C(=O)N[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000180545863 396232773 /nfs/dbraw/zinc/23/27/73/396232773.db2.gz JHASKVZKFXQWBZ-NWDGAFQWSA-N 0 0 304.412 0.774 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180686935 396233727 /nfs/dbraw/zinc/23/37/27/396233727.db2.gz SXRKYBWRTWZIQX-QWRGUYRKSA-N 0 0 305.378 0.751 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000184943709 396311931 /nfs/dbraw/zinc/31/19/31/396311931.db2.gz ZYQAOXFFHNRABN-ZDUSSCGKSA-N 0 0 306.428 0.149 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000184980495 396312808 /nfs/dbraw/zinc/31/28/08/396312808.db2.gz CYALYLDNMIVJDS-UHFFFAOYSA-N 0 0 321.303 0.716 10 0 DCAERN COCCN(CC(=O)OC)Cc1cc(-c2cnn(C)c2)no1 ZINC000185004523 396314232 /nfs/dbraw/zinc/31/42/32/396314232.db2.gz SHAMXGUQODBBEG-UHFFFAOYSA-N 0 0 308.338 0.697 10 0 DCAERN COc1cc(N2CCN([C@H](C)C(=O)NCC(C)C)CC2)ncn1 ZINC000184082236 396284702 /nfs/dbraw/zinc/28/47/02/396284702.db2.gz MJARFENSYBQZRB-CYBMUJFWSA-N 0 0 321.425 0.768 10 0 DCAERN CCC[C@@](C)(O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184317434 396290266 /nfs/dbraw/zinc/29/02/66/396290266.db2.gz SYHVHRADJBUQJC-OAHLLOKOSA-N 0 0 308.382 0.685 10 0 DCAERN CC[C@H](C(=O)N1CCN(c2cc(OC)ncn2)CC1)[NH+](C)C ZINC000184317506 396290513 /nfs/dbraw/zinc/29/05/13/396290513.db2.gz KHSGVSJVSIQBCB-GFCCVEGCSA-N 0 0 307.398 0.474 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000184341045 396291006 /nfs/dbraw/zinc/29/10/06/396291006.db2.gz UEBVBSLVCLJQCU-DGCLKSJQSA-N 0 0 309.391 0.974 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000184398135 396294685 /nfs/dbraw/zinc/29/46/85/396294685.db2.gz IOPHXQWVWWVQAD-QWRGUYRKSA-N 0 0 308.334 0.952 10 0 DCAERN COc1ccc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)nn1 ZINC000081241899 396295059 /nfs/dbraw/zinc/29/50/59/396295059.db2.gz WYYCRTPGBIHJNY-UHFFFAOYSA-N 0 0 306.366 0.957 10 0 DCAERN O=C(Nc1nc2ccccn2n1)N1CCN(c2cccnn2)CC1 ZINC000184424199 396295136 /nfs/dbraw/zinc/29/51/36/396295136.db2.gz XQNXESLSMZWWNU-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184594919 396299504 /nfs/dbraw/zinc/29/95/04/396299504.db2.gz FWBQOAMTBLNCFN-UHFFFAOYSA-N 0 0 315.373 0.313 10 0 DCAERN Cn1cccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1=O ZINC000081633564 396305869 /nfs/dbraw/zinc/30/58/69/396305869.db2.gz CHPMAYGUASCZGO-NSHDSACASA-N 0 0 305.256 0.916 10 0 DCAERN CC(C)c1nnc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)s1 ZINC000185162186 396320534 /nfs/dbraw/zinc/32/05/34/396320534.db2.gz KGLGYRPPRAPZGT-RKDXNWHRSA-N 0 0 300.384 0.028 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000265312109 396307433 /nfs/dbraw/zinc/30/74/33/396307433.db2.gz FNAZZAUNWWNVFZ-OLZOCXBDSA-N 0 0 324.402 0.388 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCO[C@@]2(CCOC2)C1 ZINC000185183022 396321206 /nfs/dbraw/zinc/32/12/06/396321206.db2.gz SYDSFPLBKABSCO-INIZCTEOSA-N 0 0 314.426 0.657 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208627 396322027 /nfs/dbraw/zinc/32/20/27/396322027.db2.gz VCXFGBOURLARPF-GOEBONIOSA-N 0 0 311.426 0.030 10 0 DCAERN CNC(=O)CC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000185441785 396328255 /nfs/dbraw/zinc/32/82/55/396328255.db2.gz JAAPEBZKOGOCOY-UONOGXRCSA-N 0 0 318.373 0.928 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)NC1(CO)CCC1 ZINC000185349351 396325294 /nfs/dbraw/zinc/32/52/94/396325294.db2.gz OLRNTVUFXZMUQG-UHFFFAOYSA-N 0 0 301.350 0.982 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)CNC(=O)c1ccccn1 ZINC000186076741 396340773 /nfs/dbraw/zinc/34/07/73/396340773.db2.gz GJMLCBBFNXNUGF-SECBINFHSA-N 0 0 305.256 0.193 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)CCC1=O ZINC000265693109 396337350 /nfs/dbraw/zinc/33/73/50/396337350.db2.gz ANDCOBXGQAPMNM-NSHDSACASA-N 0 0 303.366 0.427 10 0 DCAERN CNC(=O)C1CN(C(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000185810643 396335205 /nfs/dbraw/zinc/33/52/05/396335205.db2.gz DFFGKCTXTYWNEL-UHFFFAOYSA-N 0 0 306.370 0.993 10 0 DCAERN O=S(=O)(NC[C@@]1(O)CCOC1)c1c(F)cccc1Cl ZINC000185875507 396335789 /nfs/dbraw/zinc/33/57/89/396335789.db2.gz JMKOJMRZVSIPNE-NSHDSACASA-N 0 0 309.746 0.909 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000185852241 396336087 /nfs/dbraw/zinc/33/60/87/396336087.db2.gz VFHCAKIZYLEZBN-KGLIPLIRSA-N 0 0 317.389 0.810 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)s1 ZINC000284416773 396345623 /nfs/dbraw/zinc/34/56/23/396345623.db2.gz DLZINCAUMUWEFM-GFCCVEGCSA-N 0 0 318.420 0.311 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC(F)(F)CO)[C@H]1c1cccnc1 ZINC000186101455 396341430 /nfs/dbraw/zinc/34/14/30/396341430.db2.gz GTIBHAMSLWYVQU-ZYHUDNBSSA-N 0 0 313.304 0.345 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@H](C)CO ZINC000186132672 396341780 /nfs/dbraw/zinc/34/17/80/396341780.db2.gz VULDRCDUFHTUQM-GHMZBOCLSA-N 0 0 323.397 0.855 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCc2n[nH]nc2C1)C(=O)N1CCCC[C@@H]1C ZINC000283709374 396343602 /nfs/dbraw/zinc/34/36/02/396343602.db2.gz JKNDOGPBIJVCGR-SRVKXCTJSA-N 0 0 319.409 0.815 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000186191346 396343834 /nfs/dbraw/zinc/34/38/34/396343834.db2.gz FMZZRUFSQRRFGF-AWEZNQCLSA-N 0 0 322.409 0.503 10 0 DCAERN O=C(NC1CN(S(=O)(=O)C[C@H]2CCCO2)C1)C1CCC1 ZINC000186181129 396343980 /nfs/dbraw/zinc/34/39/80/396343980.db2.gz UKKKQKHCIHUSMC-GFCCVEGCSA-N 0 0 302.396 0.096 10 0 DCAERN COCCO[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000186751427 396357054 /nfs/dbraw/zinc/35/70/54/396357054.db2.gz QPMAVEGAXOIMHB-ZIAGYGMSSA-N 0 0 322.409 0.679 10 0 DCAERN O=C(NC1CN(C(=O)NCCc2cccc(O)c2)C1)C1CC1 ZINC000186818603 396359221 /nfs/dbraw/zinc/35/92/21/396359221.db2.gz LBJVUJYMRXPFIE-UHFFFAOYSA-N 0 0 303.362 0.855 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2C(C)C)cn1 ZINC000187158142 396364388 /nfs/dbraw/zinc/36/43/88/396364388.db2.gz SOCNEUMLWFQZCF-QWHCGFSZSA-N 0 0 308.382 0.876 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187187543 396365061 /nfs/dbraw/zinc/36/50/61/396365061.db2.gz HAYKVEVMKAKDPL-BDAKNGLRSA-N 0 0 321.303 0.548 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(c2cccnn2)CC1 ZINC000187836774 396374892 /nfs/dbraw/zinc/37/48/92/396374892.db2.gz AJYXITFDODUJEI-GFCCVEGCSA-N 0 0 320.397 0.175 10 0 DCAERN Cc1cc(N2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n[nH]1 ZINC000187267508 396365901 /nfs/dbraw/zinc/36/59/01/396365901.db2.gz BOTBZLMYZQYBFM-ZIAGYGMSSA-N 0 0 321.425 0.476 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)O1 ZINC000187329119 396367072 /nfs/dbraw/zinc/36/70/72/396367072.db2.gz XFQSRBRLTXSSBO-ZYHUDNBSSA-N 0 0 306.366 0.836 10 0 DCAERN O=C(NCCCOCC1CC1)c1cc2c(cn1)nc[nH]c2=O ZINC000187491198 396370414 /nfs/dbraw/zinc/37/04/14/396370414.db2.gz OUVJDAMEJAXPTP-UHFFFAOYSA-N 0 0 302.334 0.865 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)[C@@H](CO)CC(C)C)cn1 ZINC000187696820 396372848 /nfs/dbraw/zinc/37/28/48/396372848.db2.gz AOIYCXMBIXOTAG-GFCCVEGCSA-N 0 0 311.386 0.500 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)Cc2ccccc2C)C1 ZINC000187715338 396372897 /nfs/dbraw/zinc/37/28/97/396372897.db2.gz KMACUZSJKMTAND-UHFFFAOYSA-N 0 0 312.391 0.272 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000186327038 396348208 /nfs/dbraw/zinc/34/82/08/396348208.db2.gz OJWIRYYYXNSAHE-HNNXBMFYSA-N 0 0 304.350 0.989 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cnc(C(C)C)nc2)C1 ZINC000285418182 396349937 /nfs/dbraw/zinc/34/99/37/396349937.db2.gz YXAJUBMXGQEXHH-OAHLLOKOSA-N 0 0 306.366 0.912 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188775692 396385645 /nfs/dbraw/zinc/38/56/45/396385645.db2.gz DSLPJAGJXMMNDM-UHFFFAOYSA-N 0 0 310.398 0.069 10 0 DCAERN O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188761819 396386075 /nfs/dbraw/zinc/38/60/75/396386075.db2.gz NMRCIHWQIPQCFP-ARFHVFGLSA-N 0 0 321.396 0.564 10 0 DCAERN O=C(NCCCNC(=O)N1CC(CO)C1)c1cccc(F)c1 ZINC000188815005 396387009 /nfs/dbraw/zinc/38/70/09/396387009.db2.gz OAAHOMRPNLCZNM-UHFFFAOYSA-N 0 0 309.341 0.579 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000188848814 396387177 /nfs/dbraw/zinc/38/71/77/396387177.db2.gz RXVKAIVJOHNDNI-NEPJUHHUSA-N 0 0 319.361 0.365 10 0 DCAERN Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1C1CCOCC1 ZINC000188932036 396388759 /nfs/dbraw/zinc/38/87/59/396388759.db2.gz WPPXXTWGRXIERT-LBPRGKRZSA-N 0 0 320.393 0.894 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2c[nH]c(=S)[nH]2)C1 ZINC000189081017 396390707 /nfs/dbraw/zinc/39/07/07/396390707.db2.gz XYRYOFKWRWZNPN-IONNQARKSA-N 0 0 309.351 0.992 10 0 DCAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCO[C@H](CO)C1 ZINC000269166143 396390874 /nfs/dbraw/zinc/39/08/74/396390874.db2.gz FTJJPOHXDXHHHO-MELADBBJSA-N 0 0 319.357 0.781 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3c[nH]c(=S)[nH]3)CCO2)[nH]1 ZINC000193097980 396443568 /nfs/dbraw/zinc/44/35/68/396443568.db2.gz NYRUAZCBLIZNAR-QMMMGPOBSA-N 0 0 308.367 0.593 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000189352215 396394420 /nfs/dbraw/zinc/39/44/20/396394420.db2.gz IPDAAEHONHAMMQ-MCIONIFRSA-N 0 0 303.362 0.881 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N[C@H](C(=O)NC)C(C)C ZINC000189613018 396396773 /nfs/dbraw/zinc/39/67/73/396396773.db2.gz RZAWYBJHYIVCBJ-HNNXBMFYSA-N 0 0 308.426 0.974 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189797903 396399404 /nfs/dbraw/zinc/39/94/04/396399404.db2.gz UUGVNTNHEFKAHV-CYBMUJFWSA-N 0 0 307.398 0.087 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000190027958 396401711 /nfs/dbraw/zinc/40/17/11/396401711.db2.gz CYLLLJHCMUZGHU-TUAOUCFPSA-N 0 0 304.412 0.294 10 0 DCAERN CCCN1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1=O ZINC000190182803 396403004 /nfs/dbraw/zinc/40/30/04/396403004.db2.gz QWNQCZULBGCUTR-LBPRGKRZSA-N 0 0 310.398 0.261 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1=O ZINC000190586876 396408187 /nfs/dbraw/zinc/40/81/87/396408187.db2.gz XBSRZJAJPOJTEQ-HNNXBMFYSA-N 0 0 317.389 0.536 10 0 DCAERN COCCN1CCCN(Cc2ccc(C(N)=O)cc2)CC1=O ZINC000190756572 396411143 /nfs/dbraw/zinc/41/11/43/396411143.db2.gz BPRSYYSUCLZDMP-UHFFFAOYSA-N 0 0 305.378 0.466 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NCC(F)(F)F ZINC000191173608 396416526 /nfs/dbraw/zinc/41/65/26/396416526.db2.gz ALGWMPOSZKBDSS-YWVKMMECSA-N 0 0 308.300 0.938 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)cn1 ZINC000191766834 396424339 /nfs/dbraw/zinc/42/43/39/396424339.db2.gz YMTGZABDJZUZNV-CQSZACIVSA-N 0 0 303.366 0.779 10 0 DCAERN COc1nc(N2CCCN(C)C(=O)C2)ncc1Br ZINC000191864971 396425969 /nfs/dbraw/zinc/42/59/69/396425969.db2.gz HPEUPDTYAKIYHN-UHFFFAOYSA-N 0 0 315.171 0.916 10 0 DCAERN CC(=O)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000192476239 396431318 /nfs/dbraw/zinc/43/13/18/396431318.db2.gz YHKWFAUUQVPICB-TXEJJXNPSA-N 0 0 320.393 0.448 10 0 DCAERN Cc1cccnc1C(F)(F)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000192579021 396432746 /nfs/dbraw/zinc/43/27/46/396432746.db2.gz XVFAEUPIEOXMAL-UHFFFAOYSA-N 0 0 324.287 0.518 10 0 DCAERN CC[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(OC)cc1 ZINC000192571849 396433078 /nfs/dbraw/zinc/43/30/78/396433078.db2.gz MNXSGDDOJDSIFK-ZIAGYGMSSA-N 0 0 306.362 0.902 10 0 DCAERN O=C(NCCOCCO)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000192687918 396435764 /nfs/dbraw/zinc/43/57/64/396435764.db2.gz MPUUIOSACPOHLX-OAHLLOKOSA-N 0 0 320.389 0.203 10 0 DCAERN Cc1cccnc1CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000192854620 396439226 /nfs/dbraw/zinc/43/92/26/396439226.db2.gz GWAVPQIXTNPVBP-NSHDSACASA-N 0 0 312.395 0.223 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000372174565 396495114 /nfs/dbraw/zinc/49/51/14/396495114.db2.gz ZEPOFMDGLXAIAY-CHWSQXEVSA-N 0 0 316.423 0.560 10 0 DCAERN Cc1c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)sc2nccn12 ZINC000269844122 396450972 /nfs/dbraw/zinc/45/09/72/396450972.db2.gz FSSZRPHOKCDKAF-VIFPVBQESA-N 0 0 320.374 0.970 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000269853331 396451870 /nfs/dbraw/zinc/45/18/70/396451870.db2.gz PFIYLAJOOQPDBB-LBPRGKRZSA-N 0 0 302.378 0.875 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000193489159 396452664 /nfs/dbraw/zinc/45/26/64/396452664.db2.gz FOHASURJBZHZJW-LBPRGKRZSA-N 0 0 324.356 0.074 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2C)n1 ZINC000193511124 396452721 /nfs/dbraw/zinc/45/27/21/396452721.db2.gz NLPLJXNBDHTLTD-VIFPVBQESA-N 0 0 324.406 0.942 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000371820724 396477601 /nfs/dbraw/zinc/47/76/01/396477601.db2.gz ONBRDWZLPCXXQA-XQQFMLRXSA-N 0 0 305.382 0.945 10 0 DCAERN O=C(c1ccc(N2CCCC2)nc1)N1CCN2CCOC[C@H]2C1 ZINC000371870271 396479300 /nfs/dbraw/zinc/47/93/00/396479300.db2.gz OWDYMJKLYPTZCX-OAHLLOKOSA-N 0 0 316.405 0.838 10 0 DCAERN C[C@@]1(CNC(=O)C(=O)N2CCN(C3CC3)CC2)CCCS1 ZINC000580114818 396488906 /nfs/dbraw/zinc/48/89/06/396488906.db2.gz JLQJEDVZMJTDDC-HNNXBMFYSA-N 0 0 311.451 0.695 10 0 DCAERN CC(C)OC(=O)CCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373319943 396584059 /nfs/dbraw/zinc/58/40/59/396584059.db2.gz SAVYMGXETQBLQD-ZDUSSCGKSA-N 0 0 313.398 0.444 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)OC)[C@H](C)C1 ZINC000581539980 396563438 /nfs/dbraw/zinc/56/34/38/396563438.db2.gz FWQNRTHCLWAYFH-WOPDTQHZSA-N 0 0 321.443 0.475 10 0 DCAERN O=C(C=Cc1cncc(O)c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000373119518 396568155 /nfs/dbraw/zinc/56/81/55/396568155.db2.gz BLAWNYRRHYJXOM-ITDFMYJTSA-N 0 0 316.361 0.817 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000581718849 396577510 /nfs/dbraw/zinc/57/75/10/396577510.db2.gz ITPNXDJPNCTRFQ-OUAUKWLOSA-N 0 0 307.416 0.133 10 0 DCAERN CCCc1cc(NC(=O)N2CCN3CCOC[C@H]3C2)n(C)n1 ZINC000373383413 396587438 /nfs/dbraw/zinc/58/74/38/396587438.db2.gz NHVTZYOITJWVLA-CYBMUJFWSA-N 0 0 307.398 0.921 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@H](C)S1(=O)=O ZINC000561803899 396648072 /nfs/dbraw/zinc/64/80/72/396648072.db2.gz HLLRGEHAJWZRQE-MNOVXSKESA-N 0 0 322.390 0.767 10 0 DCAERN O=C(CC[C@H]1CCCO1)NCCCN1CCCS1(=O)=O ZINC000585735403 396651214 /nfs/dbraw/zinc/65/12/14/396651214.db2.gz ZIQOWOAVEFCNEN-GFCCVEGCSA-N 0 0 304.412 0.487 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000374285072 396652541 /nfs/dbraw/zinc/65/25/41/396652541.db2.gz RQJWKYKERSBWPR-RBSFLKMASA-N 0 0 311.426 0.918 10 0 DCAERN NC(=O)c1cnc(N2CCC[C@@]3(C2)NC(=O)NC3=O)c(Cl)c1 ZINC000581921612 396592855 /nfs/dbraw/zinc/59/28/55/396592855.db2.gz SVBVBHYEWHEZEY-ZDUSSCGKSA-N 0 0 323.740 0.012 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(OC)CCCC1 ZINC000581919990 396593046 /nfs/dbraw/zinc/59/30/46/396593046.db2.gz XZAYEGJNFXDCGD-WDEREUQCSA-N 0 0 314.382 0.518 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC[C@H]1O ZINC000373546152 396598434 /nfs/dbraw/zinc/59/84/34/396598434.db2.gz XOVTVENUBFAVQY-RAIGVLPGSA-N 0 0 312.435 0.917 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H](c2ccccc2F)[C@H](C)O)nn1 ZINC000582008915 396601847 /nfs/dbraw/zinc/60/18/47/396601847.db2.gz IHLANFHGYMOUKC-BONVTDFDSA-N 0 0 320.324 0.858 10 0 DCAERN CC[C@H](CCO)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016667 396628345 /nfs/dbraw/zinc/62/83/45/396628345.db2.gz MYXRBSIWZVEODB-LLVKDONJSA-N 0 0 304.350 0.798 10 0 DCAERN COC(=O)c1ccc(CN(C)CCCS(C)(=O)=O)nc1 ZINC000586768123 396664155 /nfs/dbraw/zinc/66/41/55/396664155.db2.gz GBBUIHQQKBUXDI-UHFFFAOYSA-N 0 0 300.380 0.735 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@H](CC3CC3)C2=O)c1 ZINC000562562855 396670366 /nfs/dbraw/zinc/67/03/66/396670366.db2.gz QQDWQGCFMDOUTK-GFCCVEGCSA-N 0 0 323.374 0.820 10 0 DCAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000374836071 396691274 /nfs/dbraw/zinc/69/12/74/396691274.db2.gz MLZPEKAUDUMCAB-LBPRGKRZSA-N 0 0 303.366 0.310 10 0 DCAERN C[C@H](O)c1cn(CC(=O)N2CCOc3cccc(F)c3C2)nn1 ZINC000374965269 396701499 /nfs/dbraw/zinc/70/14/99/396701499.db2.gz UMXUVVRQBXGTHT-JTQLQIEISA-N 0 0 320.324 0.892 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cncn3)cc1)CC2 ZINC000589142863 396705740 /nfs/dbraw/zinc/70/57/40/396705740.db2.gz FQEYVZHBXRGESI-CYBMUJFWSA-N 0 0 323.360 0.912 10 0 DCAERN N#Cc1cccnc1N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000299751873 396714312 /nfs/dbraw/zinc/71/43/12/396714312.db2.gz SBEOUZGLIAAFST-CQSZACIVSA-N 0 0 300.362 0.809 10 0 DCAERN CN(Cc1nnc(C2CC2)n1C)[C@@H]1CCN([C@H]2CCOC2=O)C1 ZINC000299754317 396714387 /nfs/dbraw/zinc/71/43/87/396714387.db2.gz RPRZQOAHHLTUMO-OLZOCXBDSA-N 0 0 319.409 0.514 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000300166750 396714952 /nfs/dbraw/zinc/71/49/52/396714952.db2.gz LJNHEGRBRHOLJQ-QCNOEVLYSA-N 0 0 305.396 0.361 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000300410725 396715862 /nfs/dbraw/zinc/71/58/62/396715862.db2.gz BBKHHDINKUJRNR-CHWFTXMASA-N 0 0 312.457 0.042 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2ncnc3nc(N)ccc32)C1 ZINC000302523944 396719678 /nfs/dbraw/zinc/71/96/78/396719678.db2.gz CKWLBNJSAQQYKR-UHFFFAOYSA-N 0 0 322.394 0.300 10 0 DCAERN COC[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)C[C@@H](C)O1 ZINC000302546573 396720551 /nfs/dbraw/zinc/72/05/51/396720551.db2.gz IZDVOGFYRILCQA-RDBSUJKOSA-N 0 0 322.409 0.678 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000375613375 396781333 /nfs/dbraw/zinc/78/13/33/396781333.db2.gz NTTMLZHLHWRREI-VHSXEESVSA-N 0 0 318.361 0.702 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1)C(F)(F)F ZINC000375640949 396787708 /nfs/dbraw/zinc/78/77/08/396787708.db2.gz CPNCYXFSOOMWHA-ZWNOBZJWSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cc(C(=O)N[C@]2(C(N)=O)CCOC2)ccc1-n1cccn1 ZINC000563404418 396729474 /nfs/dbraw/zinc/72/94/74/396729474.db2.gz DEEHAJBSOIOADL-MRXNPFEDSA-N 0 0 314.345 0.555 10 0 DCAERN COC[C@@H](C)OC[C@H](O)CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375353894 396731465 /nfs/dbraw/zinc/73/14/65/396731465.db2.gz MKHBERXFFKSPTM-IUODEOHRSA-N 0 0 313.369 0.741 10 0 DCAERN O=S(=O)(CCCN1CCOCC1)NCCOCC1CCC1 ZINC000563660833 396767732 /nfs/dbraw/zinc/76/77/32/396767732.db2.gz ZMHOWHKSPHZIQB-UHFFFAOYSA-N 0 0 320.455 0.445 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@@]23CCOC3)[nH]1 ZINC000375582712 396776715 /nfs/dbraw/zinc/77/67/15/396776715.db2.gz HDMCIJHKBUWMOG-HNNXBMFYSA-N 0 0 302.334 0.898 10 0 DCAERN NC(=O)c1noc([C@H]2CCCN2CCCN2CCOCC2)n1 ZINC000328631942 396827121 /nfs/dbraw/zinc/82/71/21/396827121.db2.gz KZOQBCUCRUCJFE-LLVKDONJSA-N 0 0 309.370 0.028 10 0 DCAERN Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2ccnn2C)C1 ZINC000328630687 396827167 /nfs/dbraw/zinc/82/71/67/396827167.db2.gz QEIMIGNPAGKIKD-GFCCVEGCSA-N 0 0 322.390 0.966 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C[C@H](O)CN2CCOCC2)[nH]1 ZINC000328636542 396828249 /nfs/dbraw/zinc/82/82/49/396828249.db2.gz CLWJPDYOMJERCT-ZIAGYGMSSA-N 0 0 309.414 0.333 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1scnc1C1CC1 ZINC000611180982 396829977 /nfs/dbraw/zinc/82/99/77/396829977.db2.gz OJOGWZCBXWVUPC-SECBINFHSA-N 0 0 323.374 0.524 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329445706 396844604 /nfs/dbraw/zinc/84/46/04/396844604.db2.gz CKZAVQFIIISVMK-ZQDZILKHSA-N 0 0 324.421 0.897 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000611327187 396855879 /nfs/dbraw/zinc/85/58/79/396855879.db2.gz OBBFWTWIHAYITQ-CYBMUJFWSA-N 0 0 324.381 0.815 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C(C)C ZINC000634232870 396817056 /nfs/dbraw/zinc/81/70/56/396817056.db2.gz VJAQWROAZRBDJZ-HBNTYKKESA-N 0 0 310.316 0.776 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376144105 396883522 /nfs/dbraw/zinc/88/35/22/396883522.db2.gz NLBAFNSWIWRUDT-GFCCVEGCSA-N 0 0 314.411 0.745 10 0 DCAERN C[C@H]1C[C@@H]1Cn1c(=O)c(I)cn(C)c1=O ZINC000600530562 396885055 /nfs/dbraw/zinc/88/50/55/396885055.db2.gz DAXQWXMKMVKXLU-NKWVEPMBSA-N 0 0 320.130 0.808 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333324187 304323938 /nfs/dbraw/zinc/32/39/38/304323938.db2.gz VALUNXDABXNTMY-CYDGBPFRSA-N 0 0 301.408 0.573 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333324190 304323985 /nfs/dbraw/zinc/32/39/85/304323985.db2.gz VALUNXDABXNTMY-RVMXOQNASA-N 0 0 301.408 0.573 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630039490 396926479 /nfs/dbraw/zinc/92/64/79/396926479.db2.gz FQIYIDAHZQQKHK-ZIAGYGMSSA-N 0 0 314.426 0.125 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000376595874 396951165 /nfs/dbraw/zinc/95/11/65/396951165.db2.gz RSOAEBFRQPYNGA-SNVBAGLBSA-N 0 0 306.318 0.991 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CC[C@@H](CC(N)=O)C2)n1 ZINC000376825413 396983286 /nfs/dbraw/zinc/98/32/86/396983286.db2.gz DYMFTTBDHMVFKZ-ZDUSSCGKSA-N 0 0 307.398 0.797 10 0 DCAERN Cc1cc(CCNC(=O)N[C@H]2CCc3nc(C)nn3C2)on1 ZINC000376860282 396987975 /nfs/dbraw/zinc/98/79/75/396987975.db2.gz OMECHPPVDHHOFB-NSHDSACASA-N 0 0 304.354 0.740 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735856 396990744 /nfs/dbraw/zinc/99/07/44/396990744.db2.gz PHJPSCLDYZONFV-KSTCHIGDSA-N 0 0 311.426 0.644 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677817 397011692 /nfs/dbraw/zinc/01/16/92/397011692.db2.gz YZAPNMNHPDJWRO-UPJWGTAASA-N 0 0 318.439 0.684 10 0 DCAERN CN(CC(=O)N1CCn2cnnc2C1)c1ccc(Cl)cn1 ZINC000591874672 397015661 /nfs/dbraw/zinc/01/56/61/397015661.db2.gz AQAAWJLXSHOVOA-UHFFFAOYSA-N 0 0 306.757 0.805 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000377058862 397023658 /nfs/dbraw/zinc/02/36/58/397023658.db2.gz XYXLTJPKGNCGAN-GOEBONIOSA-N 0 0 315.373 0.808 10 0 DCAERN Cc1nc[nH]c1CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000377066480 397026273 /nfs/dbraw/zinc/02/62/73/397026273.db2.gz IQGQXXOCDGCKPB-ZDUSSCGKSA-N 0 0 313.361 0.967 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCn1cccc1 ZINC000625895573 397028104 /nfs/dbraw/zinc/02/81/04/397028104.db2.gz TUWVYTWXRXRCET-UHFFFAOYSA-N 0 0 322.409 0.414 10 0 DCAERN CNC(=O)c1cccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 ZINC000348966404 397055099 /nfs/dbraw/zinc/05/50/99/397055099.db2.gz IUDGWTUQLLRYHP-OAHLLOKOSA-N 0 0 319.386 0.974 10 0 DCAERN c1c(C[NH2+]CCN2CCSCC2)nnn1C[C@H]1CCOC1 ZINC000631069953 397164821 /nfs/dbraw/zinc/16/48/21/397164821.db2.gz JPDIOZKCWIPNLU-CYBMUJFWSA-N 0 0 311.455 0.453 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCC(C)(C)n1cccn1 ZINC000601527854 397167313 /nfs/dbraw/zinc/16/73/13/397167313.db2.gz VYSCRDBKJYOTIS-UHFFFAOYSA-N 0 0 303.384 0.491 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCCOC[C@@H]2CCOC2)cn1 ZINC000597837238 397118844 /nfs/dbraw/zinc/11/88/44/397118844.db2.gz QFBQKDMURURAKA-GFCCVEGCSA-N 0 0 323.393 0.990 10 0 DCAERN OC[C@]1(F)CCN(c2ncc(I)cn2)C1 ZINC000619794768 397193570 /nfs/dbraw/zinc/19/35/70/397193570.db2.gz LQITVBABORVJSR-VIFPVBQESA-N 0 0 323.109 0.992 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)C1=O ZINC000619803354 397195962 /nfs/dbraw/zinc/19/59/62/397195962.db2.gz ZXMZHITUHYGMOO-GGRBLDGOSA-N 0 0 301.412 0.158 10 0 DCAERN CCN1CC[C@@H](NC(=O)NC2CCC(C(=O)OC)CC2)C1=O ZINC000619817787 397196205 /nfs/dbraw/zinc/19/62/05/397196205.db2.gz ZLMVYUADYQEDDI-HTAVTVPLSA-N 0 0 311.382 0.638 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)N2C[C@@H](O)C3(CC3)C2)c1 ZINC000364447473 397203935 /nfs/dbraw/zinc/20/39/35/397203935.db2.gz LVUDRIFQJIKHMI-CYBMUJFWSA-N 0 0 304.346 0.538 10 0 DCAERN COCc1cncc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)c1 ZINC000613225620 397222026 /nfs/dbraw/zinc/22/20/26/397222026.db2.gz LLAJPFBQPMDZKU-NSHDSACASA-N 0 0 310.306 0.063 10 0 DCAERN COCc1cncc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)c1 ZINC000613225619 397222395 /nfs/dbraw/zinc/22/23/95/397222395.db2.gz LLAJPFBQPMDZKU-LLVKDONJSA-N 0 0 310.306 0.063 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1C[C@@H](F)C[C@H]1CO ZINC000364581544 397224075 /nfs/dbraw/zinc/22/40/75/397224075.db2.gz GMNMIJDGTXXOJT-UWVGGRQHSA-N 0 0 317.338 0.551 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592724934 397240409 /nfs/dbraw/zinc/24/04/09/397240409.db2.gz XEWKSARNBAOSCJ-ZDUSSCGKSA-N 0 0 324.381 0.397 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1cccc(OCC(=O)OC)c1 ZINC000613534154 397275172 /nfs/dbraw/zinc/27/51/72/397275172.db2.gz KCNANTLWBJBBEX-HNNXBMFYSA-N 0 0 311.334 0.366 10 0 DCAERN Cc1noc(C2(C)CCN(C(=O)CN3CCOCC3=O)CC2)n1 ZINC000365784695 397316909 /nfs/dbraw/zinc/31/69/09/397316909.db2.gz FCFSIFSYTVTVSI-UHFFFAOYSA-N 0 0 322.365 0.117 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC=C(C)C1 ZINC000626839217 397256358 /nfs/dbraw/zinc/25/63/58/397256358.db2.gz CCJWAVXUZBGCGT-UHFFFAOYSA-N 0 0 309.410 0.975 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2cccc3c2OCCC3)CCO1 ZINC000378621941 397264640 /nfs/dbraw/zinc/26/46/40/397264640.db2.gz WEOZBMZSDVNKEG-CYBMUJFWSA-N 0 0 319.361 0.990 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000366115236 397338490 /nfs/dbraw/zinc/33/84/90/397338490.db2.gz OXZBERDYEHMRFN-VOAKCMCISA-N 0 0 313.398 0.332 10 0 DCAERN Cc1noc(CN2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000407964134 397338775 /nfs/dbraw/zinc/33/87/75/397338775.db2.gz RSSSJQUOTWGVEO-UHFFFAOYSA-N 0 0 321.425 0.754 10 0 DCAERN C[C@@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)c1nnc2ccccn21 ZINC000407967332 397340537 /nfs/dbraw/zinc/34/05/37/397340537.db2.gz CQLPJMXAMHECFS-WDEREUQCSA-N 0 0 316.365 0.662 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc21 ZINC000407970307 397341628 /nfs/dbraw/zinc/34/16/28/397341628.db2.gz ZASTXDYMOLWYNW-SNVBAGLBSA-N 0 0 308.363 0.227 10 0 DCAERN Cc1nnc([C@H]2CCCCN2S(=O)(=O)c2ccnn2C)[nH]1 ZINC000407978028 397342642 /nfs/dbraw/zinc/34/26/42/397342642.db2.gz VDSZOHBIDSWCEF-SNVBAGLBSA-N 0 0 310.383 0.763 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000407971997 397342756 /nfs/dbraw/zinc/34/27/56/397342756.db2.gz RPAPNBWUTIOASI-IHRRRGAJSA-N 0 0 323.437 0.960 10 0 DCAERN C[C@@H]1CN(C(=O)NCCC(=O)NC2CCCCC2)CC(=O)N1C ZINC000407972470 397342778 /nfs/dbraw/zinc/34/27/78/397342778.db2.gz MBBDTPCEMZRTOL-GFCCVEGCSA-N 0 0 324.425 0.698 10 0 DCAERN CC(=O)c1cn(CC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)nn1 ZINC000621140124 397343256 /nfs/dbraw/zinc/34/32/56/397343256.db2.gz IYPFBSZKGDMCPE-SDBXPKJASA-N 0 0 316.308 0.752 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC000408093561 397347594 /nfs/dbraw/zinc/34/75/94/397347594.db2.gz CIYAYNXQPZNLBR-NEPJUHHUSA-N 0 0 323.393 0.470 10 0 DCAERN Cn1cc([C@@H](NC(=O)NCCn2ncnn2)C(F)(F)F)cn1 ZINC000577702516 397351885 /nfs/dbraw/zinc/35/18/85/397351885.db2.gz CBVZBFZTRCNJBQ-MRVPVSSYSA-N 0 0 318.263 0.009 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408459633 397357810 /nfs/dbraw/zinc/35/78/10/397357810.db2.gz JNCCRZPPVGIEBE-GUBZILKMSA-N 0 0 309.409 0.432 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)[C@H](CO)C2)C[C@H](C)O1 ZINC000621310595 397371078 /nfs/dbraw/zinc/37/10/78/397371078.db2.gz WNLBJGUCXDBHSO-RVMXOQNASA-N 0 0 306.428 0.291 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366590575 397383698 /nfs/dbraw/zinc/38/36/98/397383698.db2.gz LQMAFBNIDMMFQE-ABAIWWIYSA-N 0 0 313.398 0.491 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H](C)S(C)(=O)=O ZINC000369283432 397437251 /nfs/dbraw/zinc/43/72/51/397437251.db2.gz BRQYCNIUYXIMSO-KXNHARMFSA-N 0 0 317.407 0.752 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)N1CCCC12CCC2 ZINC000369322485 397438635 /nfs/dbraw/zinc/43/86/35/397438635.db2.gz RGGWGIHBTCRCJQ-UHFFFAOYSA-N 0 0 304.412 0.776 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000461290668 397444934 /nfs/dbraw/zinc/44/49/34/397444934.db2.gz JPVFJTDJJFDVOW-OUAUKWLOSA-N 0 0 307.412 0.508 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000370154277 397448887 /nfs/dbraw/zinc/44/88/87/397448887.db2.gz RTWRIERJTWJRLL-WOPDTQHZSA-N 0 0 305.396 0.769 10 0 DCAERN O=C1C[C@H](c2ccccc2)N(S(=O)(=O)N2CCC2)CCN1 ZINC000367132683 397397167 /nfs/dbraw/zinc/39/71/67/397397167.db2.gz FIZRIVYIROGAML-CYBMUJFWSA-N 0 0 309.391 0.500 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000367527885 397402579 /nfs/dbraw/zinc/40/25/79/397402579.db2.gz TVLBXPPDVYBDBL-JHJVBQTASA-N 0 0 311.378 0.982 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(C(C)C)n1 ZINC000487101470 397467180 /nfs/dbraw/zinc/46/71/80/397467180.db2.gz GYHBUZZOKMVSEV-QWRGUYRKSA-N 0 0 324.381 0.650 10 0 DCAERN O=C(c1ccnnc1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000478899760 397457674 /nfs/dbraw/zinc/45/76/74/397457674.db2.gz KGQBINRYFKFYET-CQSZACIVSA-N 0 0 306.366 0.040 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)COC ZINC000488319822 397489346 /nfs/dbraw/zinc/48/93/46/397489346.db2.gz ZITMFRVAJMYXFG-UWVGGRQHSA-N 0 0 302.371 0.232 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000370603164 397508141 /nfs/dbraw/zinc/50/81/41/397508141.db2.gz SRFZNPOWTWXTCC-AWEZNQCLSA-N 0 0 305.382 0.237 10 0 DCAERN NC(=O)C1(NC(=O)C(=O)c2ccc3c(c2)CCC3)CCOCC1 ZINC000371222381 397559439 /nfs/dbraw/zinc/55/94/39/397559439.db2.gz FMXCXGXYRIETCO-UHFFFAOYSA-N 0 0 316.357 0.509 10 0 DCAERN COC(=O)[C@H]1COCCN1Cc1ccc(-n2cncn2)cc1 ZINC000371325258 397573633 /nfs/dbraw/zinc/57/36/33/397573633.db2.gz CRYPSIGFPFEQMM-CQSZACIVSA-N 0 0 302.334 0.641 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)OC ZINC000579750096 397592057 /nfs/dbraw/zinc/59/20/57/397592057.db2.gz ANIZNAPYUPDESQ-LLVKDONJSA-N 0 0 306.322 0.050 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1oc(CC2CC2)nc1C ZINC000579785463 397592724 /nfs/dbraw/zinc/59/27/24/397592724.db2.gz ARUGHABVSNNHFZ-UHFFFAOYSA-N 0 0 301.368 0.215 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)NCCN2C(=O)CNC2=O)n1 ZINC000603534042 397615305 /nfs/dbraw/zinc/61/53/05/397615305.db2.gz HJMOAVMHFQHCAI-MRVPVSSYSA-N 0 0 311.367 0.364 10 0 DCAERN C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCOC1 ZINC000608421334 397729427 /nfs/dbraw/zinc/72/94/27/397729427.db2.gz XNDZGBIPYXQDMI-NEPJUHHUSA-N 0 0 319.427 0.136 10 0 DCAERN CN(C)c1nccc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC000607143160 397697159 /nfs/dbraw/zinc/69/71/59/397697159.db2.gz LHKLHHYOEMIYGV-NSHDSACASA-N 0 0 313.427 0.308 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000333734723 296595769 /nfs/dbraw/zinc/59/57/69/296595769.db2.gz USKUAVBGCMOPSG-BLFANLJRSA-N 0 0 301.362 0.817 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408016266 292178374 /nfs/dbraw/zinc/17/83/74/292178374.db2.gz JCEINXOBTWZMOS-UONOGXRCSA-N 0 0 311.407 0.484 10 0 DCAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CCN(C2CC2)CC1 ZINC000195129881 304360018 /nfs/dbraw/zinc/36/00/18/304360018.db2.gz IIJSFYKFLSJICD-MNOVXSKESA-N 0 0 319.327 0.750 10 0 DCAERN COCCCCS(=O)(=O)N1CCOCC2(CCOCC2)C1 ZINC000408314398 292324127 /nfs/dbraw/zinc/32/41/27/292324127.db2.gz UBVFBWGPELHQCB-UHFFFAOYSA-N 0 0 321.439 0.872 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)OCC ZINC000042693544 157995380 /nfs/dbraw/zinc/99/53/80/157995380.db2.gz JFDXKFKVWCGTJM-NSHDSACASA-N 0 0 320.411 0.212 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCn2ccnc2)C[C@H](C)O1 ZINC000048311818 158005848 /nfs/dbraw/zinc/00/58/48/158005848.db2.gz SHUBCRLHJFXZEQ-RYUDHWBXSA-N 0 0 302.400 0.217 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000048671732 158006601 /nfs/dbraw/zinc/00/66/01/158006601.db2.gz TYAZUZCFVSRSGB-YPMHNXCESA-N 0 0 303.428 0.564 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H](C)C2CC2)c1 ZINC000049084062 158009376 /nfs/dbraw/zinc/00/93/76/158009376.db2.gz XSZMAQNFYOISHD-SECBINFHSA-N 0 0 314.349 0.824 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)C1CC1 ZINC000049087802 158009509 /nfs/dbraw/zinc/00/95/09/158009509.db2.gz XDQKJLQWXTWWKG-VIFPVBQESA-N 0 0 300.322 0.516 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000049062940 158009597 /nfs/dbraw/zinc/00/95/97/158009597.db2.gz QHXREVIMFPVPED-RYUDHWBXSA-N 0 0 305.396 0.913 10 0 DCAERN Cc1cc(C(=O)NCc2cscn2)c2c(=O)[nH]n(C)c2n1 ZINC000050683980 158011726 /nfs/dbraw/zinc/01/17/26/158011726.db2.gz RRHAJAMKZGEQJN-UHFFFAOYSA-N 0 0 303.347 0.957 10 0 DCAERN C[C@H]1CN(c2ccc(C(=O)NC(C)(C)C(N)=O)cn2)C[C@H](C)O1 ZINC000057257891 158025346 /nfs/dbraw/zinc/02/53/46/158025346.db2.gz UHWWUWABMYKRGP-QWRGUYRKSA-N 0 0 320.393 0.689 10 0 DCAERN COCCOCCS(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000062521657 158029869 /nfs/dbraw/zinc/02/98/69/158029869.db2.gz WXMRGZOIJXPELV-STQMWFEESA-N 0 0 307.412 0.623 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)CC3)CC2=O)cc1 ZINC000065901653 158034365 /nfs/dbraw/zinc/03/43/65/158034365.db2.gz YJJLZBSSWVBGQR-CYBMUJFWSA-N 0 0 315.373 0.696 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000065584358 158034623 /nfs/dbraw/zinc/03/46/23/158034623.db2.gz GYRXJZRRNXVFEH-RYUDHWBXSA-N 0 0 300.403 0.050 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCC(C)(C)C(N)=O)s2)cn1 ZINC000066377011 158036603 /nfs/dbraw/zinc/03/66/03/158036603.db2.gz SENDHQWUOMAZOV-UHFFFAOYSA-N 0 0 307.379 0.785 10 0 DCAERN C[C@H](c1cccnc1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000068171612 158041660 /nfs/dbraw/zinc/04/16/60/158041660.db2.gz APGRTSRRTYPBRH-SNVBAGLBSA-N 0 0 304.350 0.931 10 0 DCAERN CCCNC(=O)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000072780537 158052091 /nfs/dbraw/zinc/05/20/91/158052091.db2.gz NHXJMTBRWCVTGH-NSHDSACASA-N 0 0 306.366 0.839 10 0 DCAERN COc1ccc2nc(NC(=O)C[C@@H]3NC(=O)NC3=O)sc2c1 ZINC000074728874 158059141 /nfs/dbraw/zinc/05/91/41/158059141.db2.gz FCWGHRMIZVMMHU-QMMMGPOBSA-N 0 0 320.330 0.842 10 0 DCAERN O=C(Cc1ccc[nH]1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000075033854 158060785 /nfs/dbraw/zinc/06/07/85/158060785.db2.gz GRZOHCTYQKDIOF-CQSZACIVSA-N 0 0 305.378 0.797 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)CNC(=O)c1ccccc1C ZINC000075123569 158060890 /nfs/dbraw/zinc/06/08/90/158060890.db2.gz NDKXAXCWASGDRJ-HNNXBMFYSA-N 0 0 310.419 0.955 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000075682787 158061581 /nfs/dbraw/zinc/06/15/81/158061581.db2.gz WFSBAIGYYABFGE-NXEZZACHSA-N 0 0 319.296 0.857 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077153124 158065940 /nfs/dbraw/zinc/06/59/40/158065940.db2.gz ADJWOXFKGZAFSX-ZFWWWQNUSA-N 0 0 315.377 0.872 10 0 DCAERN CCC1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000076873714 158066484 /nfs/dbraw/zinc/06/64/84/158066484.db2.gz AMQDENULTRVSKJ-UHFFFAOYSA-N 0 0 302.440 0.802 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000077657835 158069031 /nfs/dbraw/zinc/06/90/31/158069031.db2.gz ZQOONYUWEVADMM-XQQFMLRXSA-N 0 0 300.399 0.800 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000077806913 158070377 /nfs/dbraw/zinc/07/03/77/158070377.db2.gz GQYNLNSNWPDPOT-NWDGAFQWSA-N 0 0 305.378 0.892 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@@H]1CCCO1 ZINC000078293065 158071624 /nfs/dbraw/zinc/07/16/24/158071624.db2.gz BZUAYLMXPBJLMR-AAEUAGOBSA-N 0 0 321.381 0.346 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)CC1=O ZINC000078779244 158075621 /nfs/dbraw/zinc/07/56/21/158075621.db2.gz MSADMLITQNZNCJ-ZJUUUORDSA-N 0 0 322.390 0.551 10 0 DCAERN O=C(c1cccnc1)N1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000082358153 158087252 /nfs/dbraw/zinc/08/72/52/158087252.db2.gz RTUNGQSUNJBUJO-UHFFFAOYSA-N 0 0 309.333 0.710 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(O)(CC)CC ZINC000087038904 158092167 /nfs/dbraw/zinc/09/21/67/158092167.db2.gz IFDRCEFLJRRXPL-GFCCVEGCSA-N 0 0 320.455 0.858 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC(O)(C2CC2)C1 ZINC000089664288 158098551 /nfs/dbraw/zinc/09/85/51/158098551.db2.gz RIBIMOTVNASZGP-LBPRGKRZSA-N 0 0 316.423 0.174 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000120744459 286671405 /nfs/dbraw/zinc/67/14/05/286671405.db2.gz PEDGAJDLCMFDMK-GFCCVEGCSA-N 0 0 314.411 0.122 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1cccc(F)c1 ZINC000091785477 158110766 /nfs/dbraw/zinc/11/07/66/158110766.db2.gz MWEMPJJJGHYPMC-CYBMUJFWSA-N 0 0 310.325 0.697 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(=O)[nH]c1C ZINC000092279975 158111828 /nfs/dbraw/zinc/11/18/28/158111828.db2.gz CEFUGXLRZNHGLD-NSHDSACASA-N 0 0 316.365 0.535 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCOCC ZINC000093031270 158116236 /nfs/dbraw/zinc/11/62/36/158116236.db2.gz FZRUHTITTNRARD-GFCCVEGCSA-N 0 0 306.428 0.686 10 0 DCAERN COCCN(CC(=O)OC)Cc1cnc2nc(C)cc(C)n12 ZINC000093416247 158121148 /nfs/dbraw/zinc/12/11/48/158121148.db2.gz CGADLVHSWIDCST-UHFFFAOYSA-N 0 0 306.366 0.968 10 0 DCAERN CCCNC(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869521 158130935 /nfs/dbraw/zinc/13/09/35/158130935.db2.gz VSPLIZIMQRJWCD-CQSZACIVSA-N 0 0 307.442 0.843 10 0 DCAERN CC(C)n1nnnc1CNc1cc(-n2cnnn2)ccc1F ZINC000108849308 158137339 /nfs/dbraw/zinc/13/73/39/158137339.db2.gz QADRQWYNLIGBSV-UHFFFAOYSA-N 0 0 303.305 0.981 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnn(C)c3C)CC2)no1 ZINC000110023909 158138702 /nfs/dbraw/zinc/13/87/02/158138702.db2.gz VPBVYPBLONVXMV-UHFFFAOYSA-N 0 0 318.381 0.768 10 0 DCAERN CS(=O)(=O)CCCN1CCCC[C@H]1CN1CCOCC1 ZINC000109819396 158139068 /nfs/dbraw/zinc/13/90/68/158139068.db2.gz WUMUZCJSOXEBGE-AWEZNQCLSA-N 0 0 304.456 0.608 10 0 DCAERN COCCCS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000111330083 158139714 /nfs/dbraw/zinc/13/97/14/158139714.db2.gz AAGFTIKKXQPCHN-CYBMUJFWSA-N 0 0 320.455 0.538 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112647416 158141811 /nfs/dbraw/zinc/14/18/11/158141811.db2.gz ZPNLXEXZIFNXTH-GFCCVEGCSA-N 0 0 323.356 0.836 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)S(C)(=O)=O ZINC000114312988 158151625 /nfs/dbraw/zinc/15/16/25/158151625.db2.gz DKMDYWUICFPGSA-WCQYABFASA-N 0 0 324.402 0.731 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000114864309 158157889 /nfs/dbraw/zinc/15/78/89/158157889.db2.gz NVEXNFDVEVDSKO-LLVKDONJSA-N 0 0 305.382 0.284 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1snnc1CC)CC2 ZINC000114868738 158159170 /nfs/dbraw/zinc/15/91/70/158159170.db2.gz IMXPRBLEKQWAMC-MRVPVSSYSA-N 0 0 306.395 0.999 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1C ZINC000117274767 158169776 /nfs/dbraw/zinc/16/97/76/158169776.db2.gz FQTCQOXKTLXCNA-ZDUSSCGKSA-N 0 0 307.394 0.568 10 0 DCAERN COCCN1CCN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C ZINC000117284433 158170576 /nfs/dbraw/zinc/17/05/76/158170576.db2.gz ZDBZXZCIXSGKGI-CYBMUJFWSA-N 0 0 320.455 0.236 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2)c1 ZINC000117423245 158171888 /nfs/dbraw/zinc/17/18/88/158171888.db2.gz AQXBBIMCPKUWFA-NSHDSACASA-N 0 0 306.366 0.449 10 0 DCAERN CN(C)c1ncccc1CNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000118993087 158180877 /nfs/dbraw/zinc/18/08/77/158180877.db2.gz NPSHGGBKNCRONX-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCC(=O)NC2CC2)C1 ZINC000119994103 158192287 /nfs/dbraw/zinc/19/22/87/158192287.db2.gz WTDHNJPOZDMSHJ-LLVKDONJSA-N 0 0 303.428 0.612 10 0 DCAERN CN(C)CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000120481203 158199817 /nfs/dbraw/zinc/19/98/17/158199817.db2.gz KOCVHCHVHQDPJX-UHFFFAOYSA-N 0 0 304.799 0.792 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CC[C@H](N2CCOCC2)C1 ZINC000121537069 158211638 /nfs/dbraw/zinc/21/16/38/158211638.db2.gz ZPDAIRMOPXISPF-AWEZNQCLSA-N 0 0 304.456 0.606 10 0 DCAERN CCOC(=O)C(C)(C)NCc1nn2c(nc(C)cc2=O)s1 ZINC000121505271 158211789 /nfs/dbraw/zinc/21/17/89/158211789.db2.gz KOVSXPBLEUEHJK-UHFFFAOYSA-N 0 0 310.379 0.891 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)C[C@H](C)O1 ZINC000121684347 158212633 /nfs/dbraw/zinc/21/26/33/158212633.db2.gz DXYCCYPTGSMQTP-RYUDHWBXSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCOC1 ZINC000121792355 158215230 /nfs/dbraw/zinc/21/52/30/158215230.db2.gz AMHFQEQVNRTXLV-GHMZBOCLSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000122385496 158221028 /nfs/dbraw/zinc/22/10/28/158221028.db2.gz CUMXQCYCUBSXMP-ZIAGYGMSSA-N 0 0 319.471 0.494 10 0 DCAERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CNC(C)=O ZINC000122493499 158221682 /nfs/dbraw/zinc/22/16/82/158221682.db2.gz RJOOSOUODNJICM-GFCCVEGCSA-N 0 0 306.362 0.960 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000122563013 158221986 /nfs/dbraw/zinc/22/19/86/158221986.db2.gz APRCDPLFZAOILW-GRYCIOLGSA-N 0 0 300.424 0.965 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCS2)C1 ZINC000122635105 158222940 /nfs/dbraw/zinc/22/29/40/158222940.db2.gz OOLOSECRSVCOAD-QWRGUYRKSA-N 0 0 306.453 0.811 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)C[C@@H]2CCCO2)CC1 ZINC000122650928 158222999 /nfs/dbraw/zinc/22/29/99/158222999.db2.gz YDARMYVPGVHYEX-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN COC(=O)C1(NC(=O)c2cc(C(N)=O)cn2C)CCCCC1 ZINC000124378509 158240690 /nfs/dbraw/zinc/24/06/90/158240690.db2.gz CQXCHCRBOIUTAF-UHFFFAOYSA-N 0 0 307.350 0.730 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000124598372 158243348 /nfs/dbraw/zinc/24/33/48/158243348.db2.gz GBNBWDBSCDFUHK-OAHLLOKOSA-N 0 0 317.389 0.934 10 0 DCAERN Cc1ccc(CN(C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)o1 ZINC000124881957 158247933 /nfs/dbraw/zinc/24/79/33/158247933.db2.gz DPAXMQVDUYYDGB-UHFFFAOYSA-N 0 0 317.349 0.494 10 0 DCAERN C[C@H](CNC(=O)NCCCN1CCCC1=O)N1CCOCC1 ZINC000125001923 158249178 /nfs/dbraw/zinc/24/91/78/158249178.db2.gz NPBSQDHHCPKNAT-CYBMUJFWSA-N 0 0 312.414 0.019 10 0 DCAERN CC[C@H]1CN(C(=O)CCn2cncn2)CCN1CC(F)F ZINC000125617067 158258144 /nfs/dbraw/zinc/25/81/44/158258144.db2.gz YNWRIEWAHKUFCS-NSHDSACASA-N 0 0 301.341 0.856 10 0 DCAERN Cc1cc(C)c(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[nH]1 ZINC000125740175 158259071 /nfs/dbraw/zinc/25/90/71/158259071.db2.gz QEOXPSKWJCYWLF-LBPRGKRZSA-N 0 0 301.350 0.900 10 0 DCAERN C[C@H]1CN(C(=O)NCCOC2CCCC2)CCS1(=O)=O ZINC000125787481 158259192 /nfs/dbraw/zinc/25/91/92/158259192.db2.gz XSCSSVSUXXXFGA-NSHDSACASA-N 0 0 304.412 0.774 10 0 DCAERN C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCNC(=O)CC1 ZINC000126147683 158261661 /nfs/dbraw/zinc/26/16/61/158261661.db2.gz YWGFFEBNURITMG-KBPBESRZSA-N 0 0 311.426 0.520 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCNC(=O)CC2)c1 ZINC000126185294 158264107 /nfs/dbraw/zinc/26/41/07/158264107.db2.gz NOYYIDFWZKQJDK-LLVKDONJSA-N 0 0 318.377 0.794 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000126997791 158270099 /nfs/dbraw/zinc/27/00/99/158270099.db2.gz RHUXWPWINKAKHE-DGCLKSJQSA-N 0 0 310.419 0.953 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127326439 158272999 /nfs/dbraw/zinc/27/29/99/158272999.db2.gz QOGQXWGDIFKIFN-HUUCEWRRSA-N 0 0 312.410 0.552 10 0 DCAERN CC(C)n1cccc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000128212855 158279600 /nfs/dbraw/zinc/27/96/00/158279600.db2.gz FNYFPQHTLUAUMD-MRXNPFEDSA-N 0 0 309.410 0.882 10 0 DCAERN Cc1cccc(C)c1CC(=O)NCCN1CCCS1(=O)=O ZINC000130678787 158296558 /nfs/dbraw/zinc/29/65/58/158296558.db2.gz KLVNMIXJIMINHN-UHFFFAOYSA-N 0 0 310.419 0.998 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000130935053 158297832 /nfs/dbraw/zinc/29/78/32/158297832.db2.gz UZGXFJBWVJIWQY-MJBXVCDLSA-N 0 0 306.387 0.682 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000132261748 158309274 /nfs/dbraw/zinc/30/92/74/158309274.db2.gz WUQGOLUSORTFIF-MNOVXSKESA-N 0 0 324.402 0.864 10 0 DCAERN COC(=O)[C@H]1CN([C@@H](C)C(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000132276274 158309387 /nfs/dbraw/zinc/30/93/87/158309387.db2.gz UYLCHXWUDIKCRG-HRDYMLBCSA-N 0 0 312.288 0.316 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1csc(C2CC2)n1 ZINC000132295273 158309522 /nfs/dbraw/zinc/30/95/22/158309522.db2.gz HDMGLEKQBCFKKW-NSHDSACASA-N 0 0 311.407 0.443 10 0 DCAERN CN1CC[C@H](NS(=O)(=O)c2c(F)cccc2Cl)C1=O ZINC000132753772 158313985 /nfs/dbraw/zinc/31/39/85/158313985.db2.gz KGTWJBADITWFDW-VIFPVBQESA-N 0 0 306.746 0.988 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)CO)CC1 ZINC000133471653 158319806 /nfs/dbraw/zinc/31/98/06/158319806.db2.gz KIEVBMCKYFAWKD-WDEREUQCSA-N 0 0 306.428 0.181 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)nc1C ZINC000133553804 158320270 /nfs/dbraw/zinc/32/02/70/158320270.db2.gz FHDLZGUYWPCEKE-NSHDSACASA-N 0 0 315.395 0.785 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000134020958 158323101 /nfs/dbraw/zinc/32/31/01/158323101.db2.gz PMYMFWSEPFIHIJ-CHWSQXEVSA-N 0 0 303.362 0.111 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@@H]3CCO[C@H]3C)CC2)n1 ZINC000134426906 158327199 /nfs/dbraw/zinc/32/71/99/158327199.db2.gz WBWVVYDBVUTNNE-CMPLNLGQSA-N 0 0 309.370 0.383 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)[C@H](C)CO1 ZINC000134537226 158327371 /nfs/dbraw/zinc/32/73/71/158327371.db2.gz GDDXMXIRVOLPJB-CHWSQXEVSA-N 0 0 316.427 0.559 10 0 DCAERN CCCNC(=O)CNC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000134605527 158328824 /nfs/dbraw/zinc/32/88/24/158328824.db2.gz LWFKJJRYHDTZDF-ZDUSSCGKSA-N 0 0 306.366 0.771 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000134789324 158331234 /nfs/dbraw/zinc/33/12/34/158331234.db2.gz VSYFPUWVRMUKOO-SNVBAGLBSA-N 0 0 322.796 0.956 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135322206 158335150 /nfs/dbraw/zinc/33/51/50/158335150.db2.gz OFINVZCZXKXOLN-PWSUYJOCSA-N 0 0 305.382 0.803 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135292115 158335455 /nfs/dbraw/zinc/33/54/55/158335455.db2.gz KBHNVVZCIIFRDV-CYBMUJFWSA-N 0 0 308.382 0.615 10 0 DCAERN CC(C)[C@@H](C(=O)N(C)CC1CC(O)C1)N1CCCS1(=O)=O ZINC000135379773 158336196 /nfs/dbraw/zinc/33/61/96/158336196.db2.gz QXLNBBVKHDFKIR-BPCQOVAHSA-N 0 0 318.439 0.276 10 0 DCAERN CNC(=O)C1(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000135480907 158337893 /nfs/dbraw/zinc/33/78/93/158337893.db2.gz HIQKDENNQDIHRH-ZDUSSCGKSA-N 0 0 304.346 0.818 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCSCCCO ZINC000135584825 158338716 /nfs/dbraw/zinc/33/87/16/158338716.db2.gz VIYUOBUYAUUQOH-SNVBAGLBSA-N 0 0 300.380 0.630 10 0 DCAERN CCOc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)ncn1 ZINC000136008323 158341450 /nfs/dbraw/zinc/34/14/50/158341450.db2.gz UMRXBXXQZTXLNP-CYBMUJFWSA-N 0 0 320.393 0.951 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000136110556 158341854 /nfs/dbraw/zinc/34/18/54/158341854.db2.gz DPBSCEOFMOKTJS-LBPRGKRZSA-N 0 0 304.412 0.486 10 0 DCAERN COc1ccccc1N1CC[C@@H](N2CCNC(=O)CC2)C1=O ZINC000151009328 158348661 /nfs/dbraw/zinc/34/86/61/158348661.db2.gz YSXKXJBIFYODIX-CYBMUJFWSA-N 0 0 303.362 0.622 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000162097917 158358592 /nfs/dbraw/zinc/35/85/92/158358592.db2.gz MJFVFAAGTNTYAB-MCIONIFRSA-N 0 0 304.346 0.861 10 0 DCAERN COCCn1ccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000163076962 158361195 /nfs/dbraw/zinc/36/11/95/158361195.db2.gz LVHIYJRTGNMDJE-QWRGUYRKSA-N 0 0 309.370 0.695 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCCN(CC(F)F)CC1 ZINC000165107769 158364493 /nfs/dbraw/zinc/36/44/93/158364493.db2.gz JLBWHTKSZONGCY-UHFFFAOYSA-N 0 0 316.356 0.596 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000170187516 158373703 /nfs/dbraw/zinc/37/37/03/158373703.db2.gz LVNZUOROYHYIOU-MRXNPFEDSA-N 0 0 301.346 0.155 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000170809705 158377347 /nfs/dbraw/zinc/37/73/47/158377347.db2.gz BIQRQFAVEVKHKN-JTQLQIEISA-N 0 0 317.436 0.663 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCSC(F)(F)F)C1 ZINC000170922561 158378470 /nfs/dbraw/zinc/37/84/70/158378470.db2.gz NANCAVAOVKGAMH-MRVPVSSYSA-N 0 0 301.334 0.869 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCC(=O)N2CCCC2)cn1 ZINC000171453464 158383474 /nfs/dbraw/zinc/38/34/74/158383474.db2.gz RBQGVJXZZWCKJN-ZDUSSCGKSA-N 0 0 305.382 0.889 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171744730 158386860 /nfs/dbraw/zinc/38/68/60/158386860.db2.gz IJWCWHRMDQMCNS-GOEBONIOSA-N 0 0 317.389 0.956 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N3CCC[C@H]3C(N)=O)s2)cn1 ZINC000171969500 158388623 /nfs/dbraw/zinc/38/86/23/158388623.db2.gz MJERHPRPXGTOKN-VIFPVBQESA-N 0 0 305.363 0.634 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](OC)C1)CC2 ZINC000172041555 158390578 /nfs/dbraw/zinc/39/05/78/158390578.db2.gz ZNJMUUZCTFIKFU-VXGBXAGGSA-N 0 0 307.398 0.976 10 0 DCAERN CCc1nc(CNC(=O)N[C@@H](C)CS(C)(=O)=O)cs1 ZINC000172265744 158393107 /nfs/dbraw/zinc/39/31/07/158393107.db2.gz VVPKXLDSGNCJAF-QMMMGPOBSA-N 0 0 305.425 0.938 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172449193 158394736 /nfs/dbraw/zinc/39/47/36/158394736.db2.gz OQIVHWFKEGCJIN-GHMZBOCLSA-N 0 0 311.407 0.769 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2COc3ccccc3C2)c(=O)n(C)c1=O ZINC000172594042 158396319 /nfs/dbraw/zinc/39/63/19/158396319.db2.gz MOPNJUMTLJQLBE-NSHDSACASA-N 0 0 315.329 0.274 10 0 DCAERN COc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1C ZINC000172635438 158397715 /nfs/dbraw/zinc/39/77/15/158397715.db2.gz MNYKPENCTOIPQE-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN CCCO[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000173136218 158403907 /nfs/dbraw/zinc/40/39/07/158403907.db2.gz MDHYFSMHWUNERE-LLVKDONJSA-N 0 0 309.370 0.185 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000175005538 158423485 /nfs/dbraw/zinc/42/34/85/158423485.db2.gz ABGDHFFIIYONCT-GFCCVEGCSA-N 0 0 305.382 0.382 10 0 DCAERN Cc1noc(CCNC(=O)NCCCNC(=O)C2CCC2)n1 ZINC000175712040 158429151 /nfs/dbraw/zinc/42/91/51/158429151.db2.gz DINPDGGFAIQGFF-UHFFFAOYSA-N 0 0 309.370 0.526 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000175856644 158431302 /nfs/dbraw/zinc/43/13/02/158431302.db2.gz NSDIIEZTJHQCDX-RKDXNWHRSA-N 0 0 318.420 0.906 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)N[C@H]1CCCn2ncnc21 ZINC000176366775 158436146 /nfs/dbraw/zinc/43/61/46/158436146.db2.gz JGFOMJAKAUBZER-OLZOCXBDSA-N 0 0 323.397 0.998 10 0 DCAERN C[C@H](NC(=O)[C@@H]1COCCO1)c1cn(-c2ccccc2)nn1 ZINC000177711104 158449082 /nfs/dbraw/zinc/44/90/82/158449082.db2.gz UBQJUOKJUNFUFS-FZMZJTMJSA-N 0 0 302.334 0.860 10 0 DCAERN COCC(=O)N[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]1O)C(C)C ZINC000178298899 158456364 /nfs/dbraw/zinc/45/63/64/158456364.db2.gz DZAZJPGPCXOLLL-CWRNSKLLSA-N 0 0 320.389 0.548 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000179157105 158470059 /nfs/dbraw/zinc/47/00/59/158470059.db2.gz WSBSUBVZUOHXAV-GXTWGEPZSA-N 0 0 314.345 0.442 10 0 DCAERN CC(C)CNC(=O)C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180264881 158477199 /nfs/dbraw/zinc/47/71/99/158477199.db2.gz PCEXZZYSTCHVPL-LJQANCHMSA-N 0 0 304.441 0.625 10 0 DCAERN COCc1ccsc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180938326 158482272 /nfs/dbraw/zinc/48/22/72/158482272.db2.gz MMXJXMIEZLSNRC-UHFFFAOYSA-N 0 0 308.363 0.777 10 0 DCAERN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)c1ccc(F)cc1F ZINC000182233903 158490438 /nfs/dbraw/zinc/49/04/38/158490438.db2.gz MRWRMYCACAXEDV-VIFPVBQESA-N 0 0 310.304 0.780 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000183591770 158500305 /nfs/dbraw/zinc/50/03/05/158500305.db2.gz DQLPHXMGXZYPPV-MQJDWESPSA-N 0 0 314.411 0.269 10 0 DCAERN CC1(Cn2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)nn2)COC1 ZINC000183683806 158501604 /nfs/dbraw/zinc/50/16/04/158501604.db2.gz GHSAWAZIECDIAE-ONXXMXGDSA-N 0 0 320.393 0.548 10 0 DCAERN Cn1cc(-c2cc(CSc3nc(N)nc(N)n3)on2)cn1 ZINC000183945966 158503981 /nfs/dbraw/zinc/50/39/81/158503981.db2.gz FKTDTHPVAWRWSW-UHFFFAOYSA-N 0 0 304.339 0.717 10 0 DCAERN Cn1nc(C(=O)N2CCN(c3cccs3)C(=O)C2)ccc1=O ZINC000184080492 158505288 /nfs/dbraw/zinc/50/52/88/158505288.db2.gz JHKKNIVUEXOJHE-UHFFFAOYSA-N 0 0 318.358 0.331 10 0 DCAERN Cn1nc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1OC(F)F ZINC000185633094 158522251 /nfs/dbraw/zinc/52/22/51/158522251.db2.gz VALCJAYYVYRDKZ-YUMQZZPRSA-N 0 0 316.308 0.795 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000187877851 158541209 /nfs/dbraw/zinc/54/12/09/158541209.db2.gz NTRLJSUMNIJTEH-ZDUSSCGKSA-N 0 0 316.361 0.219 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)C12CCOCC2 ZINC000188670148 158546314 /nfs/dbraw/zinc/54/63/14/158546314.db2.gz VBVKZAJKIBCIQL-KGLIPLIRSA-N 0 0 310.394 0.555 10 0 DCAERN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N1CC(CO)C1 ZINC000189702961 158554211 /nfs/dbraw/zinc/55/42/11/158554211.db2.gz KLWZBZUXNGEQNR-HNNXBMFYSA-N 0 0 317.389 0.811 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCCC(=O)N(C)C)CC2)n[nH]1 ZINC000189735928 158554990 /nfs/dbraw/zinc/55/49/90/158554990.db2.gz NOXKRVFPDFVGET-UHFFFAOYSA-N 0 0 322.413 0.418 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCc3noc(C)n3)CC2)n[nH]1 ZINC000189916503 158556587 /nfs/dbraw/zinc/55/65/87/158556587.db2.gz SIHQBOWNZGROHM-UHFFFAOYSA-N 0 0 305.342 0.441 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)NCCc1c(C)nn(C)c1C ZINC000190144909 158558376 /nfs/dbraw/zinc/55/83/76/158558376.db2.gz MUJDOJXSDAPOFS-LLVKDONJSA-N 0 0 309.414 0.745 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1=O ZINC000191507787 158568683 /nfs/dbraw/zinc/56/86/83/158568683.db2.gz JINIMFPNLHJOMQ-SNVBAGLBSA-N 0 0 319.365 0.441 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191544167 158569319 /nfs/dbraw/zinc/56/93/19/158569319.db2.gz SMACHGVFGQGAFW-IINYFYTJSA-N 0 0 321.352 0.567 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000191856259 158571349 /nfs/dbraw/zinc/57/13/49/158571349.db2.gz CLRUHVINGHHKPS-CYBMUJFWSA-N 0 0 303.366 0.040 10 0 DCAERN CN1CCCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1=O ZINC000191933986 158572353 /nfs/dbraw/zinc/57/23/53/158572353.db2.gz XNQDRTPJTMRLHA-UHFFFAOYSA-N 0 0 308.313 0.621 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000192899560 158578651 /nfs/dbraw/zinc/57/86/51/158578651.db2.gz HMTVJEDYROJCHG-JTQLQIEISA-N 0 0 324.406 0.942 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)sc1C ZINC000193500306 158585081 /nfs/dbraw/zinc/58/50/81/158585081.db2.gz AMWGYJIEKWMHME-UHFFFAOYSA-N 0 0 310.379 0.389 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCNC(=O)CC2)c(Cl)n1 ZINC000193859363 158589787 /nfs/dbraw/zinc/58/97/87/158589787.db2.gz FZVPPDMGJFBAAU-UHFFFAOYSA-N 0 0 303.771 0.554 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000246084643 158656922 /nfs/dbraw/zinc/65/69/22/158656922.db2.gz ZECCVDDAWORUSP-BFHYXJOUSA-N 0 0 306.387 0.682 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(OC)c2)CCO1 ZINC000248440063 158691606 /nfs/dbraw/zinc/69/16/06/158691606.db2.gz JEKLBFVDPJNYEQ-KKUMJFAQSA-N 0 0 318.373 0.772 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cccc(Br)c2)C1 ZINC000276456680 158936778 /nfs/dbraw/zinc/93/67/78/158936778.db2.gz HPGMAFHFCKBBLD-GFCCVEGCSA-N 0 0 313.151 0.511 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000305861247 158994135 /nfs/dbraw/zinc/99/41/35/158994135.db2.gz ZJFYRDSRNNMHAU-SCZZXKLOSA-N 0 0 318.420 0.684 10 0 DCAERN Cc1noc(CN2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328637882 159016937 /nfs/dbraw/zinc/01/69/37/159016937.db2.gz DAQQGKFSLQHFJS-CYBMUJFWSA-N 0 0 305.382 0.259 10 0 DCAERN O=S(=O)(NC1(C(F)F)CC1)c1cnn([C@@H]2CCOC2)c1 ZINC000328639197 159017003 /nfs/dbraw/zinc/01/70/03/159017003.db2.gz DQFACGFQCVNCPI-MRVPVSSYSA-N 0 0 307.322 0.921 10 0 DCAERN O=C(C1CC1)[C@H]1CN([C@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000328668778 159018580 /nfs/dbraw/zinc/01/85/80/159018580.db2.gz FJRXOBHOSSMBJF-LSDHHAIUSA-N 0 0 322.405 0.446 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000328690177 159021675 /nfs/dbraw/zinc/02/16/75/159021675.db2.gz QTCDHGBHVAITKZ-WMZOPIPTSA-N 0 0 318.417 0.870 10 0 DCAERN CN(C)c1nc(C(=O)N2CCC[C@H]2c2ncc[nH]2)cc(=O)[nH]1 ZINC000328745546 159025851 /nfs/dbraw/zinc/02/58/51/159025851.db2.gz KZCBQEGCTRUQJC-JTQLQIEISA-N 0 0 302.338 0.949 10 0 DCAERN COc1cccc(CC(=O)N2CCN(c3cnn(C)c3)CC2)n1 ZINC000328750257 159026793 /nfs/dbraw/zinc/02/67/93/159026793.db2.gz MQOYBNJPIBRDDA-UHFFFAOYSA-N 0 0 315.377 0.715 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)Cn3cccnc3=O)C2)[nH]n1 ZINC000328758238 159027459 /nfs/dbraw/zinc/02/74/59/159027459.db2.gz VPUROPHZKRXKAL-LBPRGKRZSA-N 0 0 301.350 0.681 10 0 DCAERN CCn1nncc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000328811579 159031485 /nfs/dbraw/zinc/03/14/85/159031485.db2.gz MUSGADXRQBZGSZ-GFCCVEGCSA-N 0 0 307.398 0.623 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)COC3CCOCC3)[C@H]2C1 ZINC000328818850 159032353 /nfs/dbraw/zinc/03/23/53/159032353.db2.gz HFDXHZQPVVIREK-QLFBSQMISA-N 0 0 313.394 0.977 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@H]21 ZINC000328838853 159033292 /nfs/dbraw/zinc/03/32/92/159033292.db2.gz NPEHLJYNCSPWAQ-MGPQQGTHSA-N 0 0 318.439 0.148 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)N1CCCC1=O ZINC000328888953 159037576 /nfs/dbraw/zinc/03/75/76/159037576.db2.gz QNOMTPNKYNFMDE-IIAWOOMASA-N 0 0 323.437 0.565 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CSc3nncs3)C[C@@H]21 ZINC000328915035 159041257 /nfs/dbraw/zinc/04/12/57/159041257.db2.gz QOUFYDRYHDLTGT-UWVGGRQHSA-N 0 0 314.436 0.562 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 ZINC000328932294 159043336 /nfs/dbraw/zinc/04/33/36/159043336.db2.gz DHXKFUZBFZUAFT-LSDHHAIUSA-N 0 0 306.362 0.703 10 0 DCAERN CN(C(=O)N1CCC[C@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000328937571 159044121 /nfs/dbraw/zinc/04/41/21/159044121.db2.gz RHGNUGQDJOQVLZ-OAHLLOKOSA-N 0 0 323.397 0.336 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328937896 159044329 /nfs/dbraw/zinc/04/43/29/159044329.db2.gz GLUGAWAPQJTHMG-CMPLNLGQSA-N 0 0 309.351 0.019 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)no1 ZINC000328958150 159047433 /nfs/dbraw/zinc/04/74/33/159047433.db2.gz OJQLNORTTJRQIU-TZMCWYRMSA-N 0 0 322.409 0.880 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000329049686 159055546 /nfs/dbraw/zinc/05/55/46/159055546.db2.gz WBYJWCKFUYZJIW-XQQFMLRXSA-N 0 0 323.393 0.734 10 0 DCAERN O=S(=O)(C1COC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000329067166 159058250 /nfs/dbraw/zinc/05/82/50/159058250.db2.gz LTPNDJFMHLFBSN-HIFRSBDPSA-N 0 0 311.403 0.813 10 0 DCAERN CO[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@@H]1OC ZINC000329137155 159066678 /nfs/dbraw/zinc/06/66/78/159066678.db2.gz RHPOHLBXEGUVOI-MROQNXINSA-N 0 0 309.366 0.370 10 0 DCAERN CN1CCN(C(=O)CC2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000329202247 159073581 /nfs/dbraw/zinc/07/35/81/159073581.db2.gz CFTKHUAVNATYRI-UHFFFAOYSA-N 0 0 320.441 0.154 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCn3ccnc3C2)ncn1 ZINC000329230517 159074888 /nfs/dbraw/zinc/07/48/88/159074888.db2.gz KBKCUTVCPKRQJB-LBPRGKRZSA-N 0 0 300.366 0.654 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2 ZINC000329285357 159079570 /nfs/dbraw/zinc/07/95/70/159079570.db2.gz LSLKJLCIIMRCMZ-QWRGUYRKSA-N 0 0 313.427 0.852 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@@H]32)C1=O ZINC000329326692 159082835 /nfs/dbraw/zinc/08/28/35/159082835.db2.gz UEGULRYFZHNYCL-PGUXBMHVSA-N 0 0 309.366 0.691 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000329329117 159083232 /nfs/dbraw/zinc/08/32/32/159083232.db2.gz VEDPQBHKQSIYIJ-CRWXNKLISA-N 0 0 320.389 0.942 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N(C)Cc1nc([C@@H](C)OC)no1 ZINC000329350527 159084400 /nfs/dbraw/zinc/08/44/00/159084400.db2.gz DHCPMFAJNSIMIM-GHMZBOCLSA-N 0 0 312.370 0.456 10 0 DCAERN O=C(CN1CCn2ccnc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329350873 159084921 /nfs/dbraw/zinc/08/49/21/159084921.db2.gz TXXFBBVHXSROIK-UONOGXRCSA-N 0 0 304.394 0.869 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N(C)Cc1nc([C@@H](C)OC)no1 ZINC000329350529 159084935 /nfs/dbraw/zinc/08/49/35/159084935.db2.gz DHCPMFAJNSIMIM-MNOVXSKESA-N 0 0 312.370 0.456 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329383012 159087195 /nfs/dbraw/zinc/08/71/95/159087195.db2.gz OSUXSQKXNPGVIG-FRRDWIJNSA-N 0 0 314.451 0.752 10 0 DCAERN Cc1cc(CC(=O)N2CCC(c3ccnn3CCO)CC2)[nH]n1 ZINC000329387430 159088193 /nfs/dbraw/zinc/08/81/93/159088193.db2.gz QFFXVDSTNUFJLU-UHFFFAOYSA-N 0 0 317.393 0.856 10 0 DCAERN C[C@]12CCCN1C(=O)N(C[C@@H]1CCN(S(C)(=O)=O)C1)C2=O ZINC000329417322 159090389 /nfs/dbraw/zinc/09/03/89/159090389.db2.gz DIBKNAHMEHJYCJ-ZWNOBZJWSA-N 0 0 315.395 0.085 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CCC2(C)CC2)C[C@H]1C ZINC000329447847 159093606 /nfs/dbraw/zinc/09/36/06/159093606.db2.gz OEFNYFVOZDNPFR-OLZOCXBDSA-N 0 0 304.456 0.893 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O)N1CCOCC1 ZINC000329525673 159100216 /nfs/dbraw/zinc/10/02/16/159100216.db2.gz RCOJLFILRYMOMQ-RBSFLKMASA-N 0 0 324.421 0.694 10 0 DCAERN CN(C(=O)Cc1cncnc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000329548497 159102010 /nfs/dbraw/zinc/10/20/10/159102010.db2.gz DZYBBLKSNZECNE-AWEZNQCLSA-N 0 0 312.377 0.937 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329565135 159102698 /nfs/dbraw/zinc/10/26/98/159102698.db2.gz OEVVTDBXQVGGOH-HUUCEWRRSA-N 0 0 324.421 0.901 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCO1 ZINC000329583530 159104736 /nfs/dbraw/zinc/10/47/36/159104736.db2.gz VXWNKJITDZAMDB-CYZMBNFOSA-N 0 0 310.354 0.115 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329701883 159112903 /nfs/dbraw/zinc/11/29/03/159112903.db2.gz HQJGDBYSGZJYET-XQQFMLRXSA-N 0 0 308.382 0.999 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000329735138 159115676 /nfs/dbraw/zinc/11/56/76/159115676.db2.gz KSLZCIMJXGBJQJ-SNVBAGLBSA-N 0 0 304.354 0.355 10 0 DCAERN COC[C@@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)CCO1 ZINC000329741580 159115766 /nfs/dbraw/zinc/11/57/66/159115766.db2.gz VZYNXWMMSFPTNQ-NSHDSACASA-N 0 0 317.345 0.421 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000329864582 159124579 /nfs/dbraw/zinc/12/45/79/159124579.db2.gz SSIDYRQBMFSBRK-CMPLNLGQSA-N 0 0 304.350 0.580 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1=O ZINC000329916987 159128287 /nfs/dbraw/zinc/12/82/87/159128287.db2.gz ZDBPNQTXNHPUFG-LLVKDONJSA-N 0 0 316.317 0.174 10 0 DCAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2cc[nH]n2)o1 ZINC000329914604 159128293 /nfs/dbraw/zinc/12/82/93/159128293.db2.gz CPDVPPPCHXRCNM-JQWIXIFHSA-N 0 0 322.344 0.719 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)C2CCC(=O)CC2)CC1 ZINC000329934992 159130149 /nfs/dbraw/zinc/13/01/49/159130149.db2.gz QVAQNCVGLPXQGN-UHFFFAOYSA-N 0 0 309.410 0.368 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CCc2cc[nH]c(=O)c2C1 ZINC000329936719 159130666 /nfs/dbraw/zinc/13/06/66/159130666.db2.gz DHVPMDBFZIRMPG-UHFFFAOYSA-N 0 0 300.318 0.965 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)[C@@H]3COCCN3C2=O)cn1 ZINC000330059718 159138709 /nfs/dbraw/zinc/13/87/09/159138709.db2.gz LLVNLIHWVVYPRY-RWMBFGLXSA-N 0 0 320.349 0.396 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000330094484 159141625 /nfs/dbraw/zinc/14/16/25/159141625.db2.gz SYHCTQOFPOIDCF-SECBINFHSA-N 0 0 313.408 0.840 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000330096498 159141761 /nfs/dbraw/zinc/14/17/61/159141761.db2.gz XMDVXPJTPYFNSX-RRCSTGOVSA-N 0 0 316.405 0.934 10 0 DCAERN CCc1nc(C(=O)NCC(C)(C)N2CCS(=O)CC2)no1 ZINC000330119369 159143430 /nfs/dbraw/zinc/14/34/30/159143430.db2.gz ZTKQMFXFUVLODZ-UHFFFAOYSA-N 0 0 314.411 0.205 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H]1CCCOC1 ZINC000330170248 159147315 /nfs/dbraw/zinc/14/73/15/159147315.db2.gz BSESLASFRCVIHU-ZIAGYGMSSA-N 0 0 318.439 0.876 10 0 DCAERN CC[C@H](C(=O)N1CCOCC1)N1C(=O)N2CCC[C@]2(C)C1=O ZINC000330301607 159158298 /nfs/dbraw/zinc/15/82/98/159158298.db2.gz NXIRIQVXJYCOIJ-IAQYHMDHSA-N 0 0 309.366 0.441 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000330501883 159181839 /nfs/dbraw/zinc/18/18/39/159181839.db2.gz VSRCOJUOAUTEHL-CABCVRRESA-N 0 0 311.426 0.470 10 0 DCAERN C[C@H]([C@H](C)NC(=O)C[C@H]1CCCCC(=O)N1)N1CCOCC1 ZINC000332731546 159210613 /nfs/dbraw/zinc/21/06/13/159210613.db2.gz KUUCGNNQJIZBMP-BFHYXJOUSA-N 0 0 311.426 0.661 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1N1CCOCC1 ZINC000332751427 159212802 /nfs/dbraw/zinc/21/28/02/159212802.db2.gz ABHLVINSNSCNAN-OJLVUWQFSA-N 0 0 323.437 0.916 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@]12CCCO2 ZINC000332908209 159215898 /nfs/dbraw/zinc/21/58/98/159215898.db2.gz UOGLACBUBFXIAZ-HLPPOEQASA-N 0 0 310.394 0.840 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000332903475 159216209 /nfs/dbraw/zinc/21/62/09/159216209.db2.gz PYXXJIYNAMNNLR-ORIJERBGSA-N 0 0 324.421 0.945 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000350016906 159243034 /nfs/dbraw/zinc/24/30/34/159243034.db2.gz SOQYRPXJZQMJNT-MRVPVSSYSA-N 0 0 315.317 0.629 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000367493107 159340839 /nfs/dbraw/zinc/34/08/39/159340839.db2.gz NRGSLQVQRWRBEY-QGZVFWFLSA-N 0 0 314.389 0.744 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccccc2N2CCCCC2)C1 ZINC000367676505 159350406 /nfs/dbraw/zinc/35/04/06/159350406.db2.gz WUZNWEMNGRCCEQ-QGZVFWFLSA-N 0 0 317.389 0.739 10 0 DCAERN CC(=O)CCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000367735920 159353524 /nfs/dbraw/zinc/35/35/24/159353524.db2.gz AKDWJEDIIBKHIV-ZDUSSCGKSA-N 0 0 324.402 0.935 10 0 DCAERN Cn1cc(CN2CCN3CCOC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000368284358 159385066 /nfs/dbraw/zinc/38/50/66/159385066.db2.gz NQXKKXZCFXBCRJ-INIZCTEOSA-N 0 0 313.405 0.999 10 0 DCAERN COc1ccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000368305062 159385877 /nfs/dbraw/zinc/38/58/77/159385877.db2.gz RYFMNADGKQJXJY-HNNXBMFYSA-N 0 0 319.405 0.964 10 0 DCAERN O=C(NCc1cccc2c1OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000368300662 159385914 /nfs/dbraw/zinc/38/59/14/159385914.db2.gz AGVQVXWKUIHFNE-ZDUSSCGKSA-N 0 0 319.361 0.641 10 0 DCAERN O=C(CN1CCCCC1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000369391657 159455777 /nfs/dbraw/zinc/45/57/77/159455777.db2.gz ONFSFKAESBSRCZ-UHFFFAOYSA-N 0 0 306.337 0.868 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000371550016 159573060 /nfs/dbraw/zinc/57/30/60/159573060.db2.gz BSMFLTZSYNZUIM-NDBYEHHHSA-N 0 0 311.382 0.195 10 0 DCAERN COCCOc1ccccc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371789587 159585746 /nfs/dbraw/zinc/58/57/46/159585746.db2.gz SQPVTMBGHFUNKT-AWEZNQCLSA-N 0 0 320.389 0.868 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000373064966 159658890 /nfs/dbraw/zinc/65/88/90/159658890.db2.gz CMOACVAKPXKKCO-YRBGZSCZSA-N 0 0 304.437 0.135 10 0 DCAERN Cn1nccc1S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373672589 159692908 /nfs/dbraw/zinc/69/29/08/159692908.db2.gz OADPHYFFYMCMTQ-ZDUSSCGKSA-N 0 0 315.395 0.379 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1C(=O)C1CN(C(C)=O)C1)C1CC1 ZINC000373753431 159698022 /nfs/dbraw/zinc/69/80/22/159698022.db2.gz JPQGOOVIKWWSDK-OAHLLOKOSA-N 0 0 307.394 0.467 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000374663100 159744893 /nfs/dbraw/zinc/74/48/93/159744893.db2.gz ZGJHVFXFLJTRHK-CMPLNLGQSA-N 0 0 310.350 0.825 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1 ZINC000375327631 159785154 /nfs/dbraw/zinc/78/51/54/159785154.db2.gz KELCABCIGLSLME-CQSZACIVSA-N 0 0 324.402 0.726 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](O)C3)C2)nn1 ZINC000377801638 159942234 /nfs/dbraw/zinc/94/22/34/159942234.db2.gz ZVFJPVUFPOMKTJ-UONOGXRCSA-N 0 0 319.409 0.920 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)Nc1cccc2c1OCCC2 ZINC000378227447 159971471 /nfs/dbraw/zinc/97/14/71/159971471.db2.gz WZGZSBGNRBVXPA-UHFFFAOYSA-N 0 0 306.322 0.718 10 0 DCAERN O=C(c1cn(Cc2cccs2)nn1)N1CC(n2ccnn2)C1 ZINC000378543983 159988791 /nfs/dbraw/zinc/98/87/91/159988791.db2.gz XVNOPODZRGKHSG-UHFFFAOYSA-N 0 0 315.362 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC(=O)N1C ZINC000407971605 160000143 /nfs/dbraw/zinc/00/01/43/160000143.db2.gz PYPLXMQSFKWAFN-DGCLKSJQSA-N 0 0 307.394 0.324 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC(=O)N1C ZINC000407971947 160000167 /nfs/dbraw/zinc/00/01/67/160000167.db2.gz RLKVABSGTRPGMK-SNVBAGLBSA-N 0 0 301.346 0.413 10 0 DCAERN CCCN(C(=O)N1CCC(OC)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000407976872 160000488 /nfs/dbraw/zinc/00/04/88/160000488.db2.gz NOOOZNHDMAVILD-GFCCVEGCSA-N 0 0 311.382 0.687 10 0 DCAERN CC(C)(C(=O)N1CCO[C@H](C(=O)C2CC2)C1)S(C)(=O)=O ZINC000407979828 160001379 /nfs/dbraw/zinc/00/13/79/160001379.db2.gz GEZXFIWXYFHOMJ-JTQLQIEISA-N 0 0 303.380 0.016 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)S(C)(=O)=O)[nH]1 ZINC000407981585 160002743 /nfs/dbraw/zinc/00/27/43/160002743.db2.gz UXMMNFOCCJJFNH-SCZZXKLOSA-N 0 0 300.384 0.600 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)C1 ZINC000407987419 160003596 /nfs/dbraw/zinc/00/35/96/160003596.db2.gz PTGPXKZTEJODAR-DGCLKSJQSA-N 0 0 312.414 0.903 10 0 DCAERN CN1C[C@@H](NC(=O)C2CCN(CC(F)F)CC2)CCC1=O ZINC000407999065 160006728 /nfs/dbraw/zinc/00/67/28/160006728.db2.gz UJVSJIKQXYFKQJ-NSHDSACASA-N 0 0 303.353 0.701 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000408005684 160008882 /nfs/dbraw/zinc/00/88/82/160008882.db2.gz UPDJCGLAFXKBHN-ZDUSSCGKSA-N 0 0 324.425 0.699 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1 ZINC000408006812 160009581 /nfs/dbraw/zinc/00/95/81/160009581.db2.gz BZKVVWQGCWPONV-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN C[C@H](Cn1cncn1)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408007206 160009882 /nfs/dbraw/zinc/00/98/82/160009882.db2.gz GNQAWTSQRYRZQG-IJLUTSLNSA-N 0 0 301.416 0.479 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000408011877 160010211 /nfs/dbraw/zinc/01/02/11/160010211.db2.gz VYGQWGDJSWZXDF-SRVKXCTJSA-N 0 0 300.424 0.775 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)[C@H](C)C1 ZINC000408010373 160010730 /nfs/dbraw/zinc/01/07/30/160010730.db2.gz UXRPKMAAGKJNQA-VXGBXAGGSA-N 0 0 305.444 0.150 10 0 DCAERN CN(C(=O)NCC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000408016765 160012067 /nfs/dbraw/zinc/01/20/67/160012067.db2.gz JBEOSWPZHYDDGA-LBPRGKRZSA-N 0 0 318.439 0.900 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000408017539 160012274 /nfs/dbraw/zinc/01/22/74/160012274.db2.gz SSRYSPNLQMZXHG-AGIUHOORSA-N 0 0 322.471 0.711 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000408018089 160013248 /nfs/dbraw/zinc/01/32/48/160013248.db2.gz XUZHLZFJGVDQMA-AGIUHOORSA-N 0 0 322.471 0.853 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408020187 160013956 /nfs/dbraw/zinc/01/39/56/160013956.db2.gz BYLCDWNHHIUHDU-AVGNSLFASA-N 0 0 311.426 0.469 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)n1 ZINC000408035496 160018671 /nfs/dbraw/zinc/01/86/71/160018671.db2.gz MGMXRPUXHNQPMR-ZDUSSCGKSA-N 0 0 318.381 0.707 10 0 DCAERN CN1CCOC[C@H]1C(=O)Nc1cc(Br)c[nH]c1=O ZINC000408036245 160018691 /nfs/dbraw/zinc/01/86/91/160018691.db2.gz QPSFRQBYIJWKRT-VIFPVBQESA-N 0 0 316.155 0.819 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1C(N)=O ZINC000408038657 160019566 /nfs/dbraw/zinc/01/95/66/160019566.db2.gz OHZWWEVBEXIBFA-BXKDBHETSA-N 0 0 301.346 0.765 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CCS1 ZINC000408054362 160024434 /nfs/dbraw/zinc/02/44/34/160024434.db2.gz RMLBOKXOOVLNED-OCCSQVGLSA-N 0 0 300.424 0.714 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000408056219 160025399 /nfs/dbraw/zinc/02/53/99/160025399.db2.gz DZDNAAICFQHNEL-AVJHPGPQSA-N 0 0 308.378 0.221 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CO1 ZINC000408055163 160025409 /nfs/dbraw/zinc/02/54/09/160025409.db2.gz WKKLHEFWALIPMN-LPWJVIDDSA-N 0 0 314.357 0.209 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1C(N)=O ZINC000408058763 160025901 /nfs/dbraw/zinc/02/59/01/160025901.db2.gz DHMSIBRQBXESAE-ZSJJWGNYSA-N 0 0 311.407 0.020 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2c(C)cnn2C)CC(C)(C)O1 ZINC000408073460 160029604 /nfs/dbraw/zinc/02/96/04/160029604.db2.gz UBKJOXJKXRIFOZ-NSHDSACASA-N 0 0 317.411 0.543 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408075380 160030091 /nfs/dbraw/zinc/03/00/91/160030091.db2.gz XZRAFLUQQPJJJT-STQMWFEESA-N 0 0 305.382 0.912 10 0 DCAERN CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CCOCC1 ZINC000408076907 160031207 /nfs/dbraw/zinc/03/12/07/160031207.db2.gz POMGYQADECBIIJ-RWMBFGLXSA-N 0 0 311.378 0.576 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408083043 160031573 /nfs/dbraw/zinc/03/15/73/160031573.db2.gz HXEDXASZSNGBLM-UTUOFQBUSA-N 0 0 319.427 0.135 10 0 DCAERN CC(C)(C)NC(=O)N1CCC(NC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000408082690 160031766 /nfs/dbraw/zinc/03/17/66/160031766.db2.gz YDKYHOIJCRWQBS-SNVBAGLBSA-N 0 0 310.398 0.211 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@]3(C)CCCOC3)nc2n1 ZINC000408088891 160033638 /nfs/dbraw/zinc/03/36/38/160033638.db2.gz HLYQKGFPGXVDKH-HNNXBMFYSA-N 0 0 303.366 0.969 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C[C@@H]1O ZINC000408091871 160034242 /nfs/dbraw/zinc/03/42/42/160034242.db2.gz QRRZATOEWHUDDU-XVSSEFHLSA-N 0 0 318.439 0.755 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408091817 160034416 /nfs/dbraw/zinc/03/44/16/160034416.db2.gz IXPFTPZXPQTDGV-QXEWZRGKSA-N 0 0 311.411 0.718 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C[C@@H]1O ZINC000408094753 160034833 /nfs/dbraw/zinc/03/48/33/160034833.db2.gz JBTGQMFISCRBBH-SYQHCUMBSA-N 0 0 322.405 0.781 10 0 DCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408094895 160035024 /nfs/dbraw/zinc/03/50/24/160035024.db2.gz JPFRAGSAFWWGNO-XQHKEYJVSA-N 0 0 323.393 0.589 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)no1 ZINC000408104995 160036268 /nfs/dbraw/zinc/03/62/68/160036268.db2.gz GDEXHLFKDDFSKU-WPRPVWTQSA-N 0 0 301.368 0.399 10 0 DCAERN CC(C)[C@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408104918 160036311 /nfs/dbraw/zinc/03/63/11/160036311.db2.gz GDVGDQWEESFIKC-UPJWGTAASA-N 0 0 320.455 0.727 10 0 DCAERN C[C@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CC[S@]1=O ZINC000408109773 160038113 /nfs/dbraw/zinc/03/81/13/160038113.db2.gz HRLNGHUSYIZDDY-XTZNXHDOSA-N 0 0 302.421 0.832 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@@H]2C)CC1 ZINC000408112394 160038541 /nfs/dbraw/zinc/03/85/41/160038541.db2.gz KONQKRONLSYWFS-LBPRGKRZSA-N 0 0 317.455 0.211 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408113424 160038955 /nfs/dbraw/zinc/03/89/55/160038955.db2.gz SHGYWUFPTRBVRM-MCIONIFRSA-N 0 0 321.421 0.714 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc2scc(C)n2c1=O ZINC000408119063 160040135 /nfs/dbraw/zinc/04/01/35/160040135.db2.gz ZTSBHOQXBPIIDO-SNVBAGLBSA-N 0 0 320.374 0.415 10 0 DCAERN C[C@@]1(CO)CCC[C@@H]1NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121248 160040836 /nfs/dbraw/zinc/04/08/36/160040836.db2.gz CNFFQWBULRCMPD-AAEUAGOBSA-N 0 0 306.428 0.483 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)[S@](C)=O ZINC000408120919 160041347 /nfs/dbraw/zinc/04/13/47/160041347.db2.gz BBWXUASELYEDKB-YPMLDQLKSA-N 0 0 312.457 0.089 10 0 DCAERN NC(=O)C1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000408126765 160042768 /nfs/dbraw/zinc/04/27/68/160042768.db2.gz ROROBTCXGWYQGL-NSHDSACASA-N 0 0 308.407 0.836 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000408128752 160043490 /nfs/dbraw/zinc/04/34/90/160043490.db2.gz LFUNAIRKIBJOTG-CYBMUJFWSA-N 0 0 301.346 0.609 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000408131866 160044284 /nfs/dbraw/zinc/04/42/84/160044284.db2.gz IEKIWKVQLUJTNZ-UTUOFQBUSA-N 0 0 303.428 0.418 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)CC(F)(F)F ZINC000408135296 160044786 /nfs/dbraw/zinc/04/47/86/160044786.db2.gz XFXLTIWPDLQGGJ-QMMMGPOBSA-N 0 0 300.302 0.622 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CO)o1 ZINC000408137565 160045210 /nfs/dbraw/zinc/04/52/10/160045210.db2.gz JQAZUDGQQIHVKE-UWVGGRQHSA-N 0 0 316.379 0.421 10 0 DCAERN CC(C)[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000408141986 160046903 /nfs/dbraw/zinc/04/69/03/160046903.db2.gz YPTFHPILWGRCTH-NSHDSACASA-N 0 0 313.441 0.108 10 0 DCAERN CCn1c(=O)[nH]nc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408146719 160047836 /nfs/dbraw/zinc/04/78/36/160047836.db2.gz UDHJXRXDLQOPKA-QMMMGPOBSA-N 0 0 306.413 0.377 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCCCCC1 ZINC000408148019 160047868 /nfs/dbraw/zinc/04/78/68/160047868.db2.gz FCGSEFJDZLLWIC-CQSZACIVSA-N 0 0 309.410 0.906 10 0 DCAERN CCn1c(=O)[nH]nc1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408146718 160047903 /nfs/dbraw/zinc/04/79/03/160047903.db2.gz UDHJXRXDLQOPKA-MRVPVSSYSA-N 0 0 306.413 0.377 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000408149828 160048366 /nfs/dbraw/zinc/04/83/66/160048366.db2.gz JXAJPFINOGENJA-GFCCVEGCSA-N 0 0 301.350 0.709 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408149675 160048493 /nfs/dbraw/zinc/04/84/93/160048493.db2.gz MFGMOXSZQWPSOI-CYBMUJFWSA-N 0 0 321.421 0.716 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000408152873 160049287 /nfs/dbraw/zinc/04/92/87/160049287.db2.gz FXELRQBJLXFJSO-OLZOCXBDSA-N 0 0 317.455 0.954 10 0 DCAERN CCN1CCN([C@H]2CCN(C(=O)c3c[nH]cc(C)c3=O)C2)CC1 ZINC000408168425 160051736 /nfs/dbraw/zinc/05/17/36/160051736.db2.gz IYZWYMHLZFVGHJ-AWEZNQCLSA-N 0 0 318.421 0.535 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N3CCC[C@H](O)C3)CCC(=O)N2C)cn1 ZINC000408174236 160052584 /nfs/dbraw/zinc/05/25/84/160052584.db2.gz QKFAQUTZQDLDJC-YDHLFZDLSA-N 0 0 320.393 0.313 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000408174570 160052686 /nfs/dbraw/zinc/05/26/86/160052686.db2.gz SBEJPEKWXRIUOZ-VHSXEESVSA-N 0 0 311.382 0.515 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1C ZINC000408174982 160052735 /nfs/dbraw/zinc/05/27/35/160052735.db2.gz VWMJGZHIQQFXLP-LLVKDONJSA-N 0 0 314.411 0.428 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)cc1C(N)=O ZINC000408175706 160053775 /nfs/dbraw/zinc/05/37/75/160053775.db2.gz XUQCFAWUBTVJMY-UHFFFAOYSA-N 0 0 324.402 0.895 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000408180981 160054622 /nfs/dbraw/zinc/05/46/22/160054622.db2.gz YOMFIDUUYDWOIN-SECBINFHSA-N 0 0 312.347 0.179 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000408184725 160055284 /nfs/dbraw/zinc/05/52/84/160055284.db2.gz DCOUDHCPAAJXPK-UHFFFAOYSA-N 0 0 318.345 0.741 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000408188277 160055785 /nfs/dbraw/zinc/05/57/85/160055785.db2.gz SCDBZVCQSICAKQ-CMPLNLGQSA-N 0 0 322.452 0.049 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC([C@H](C)O)CC1 ZINC000408187962 160056200 /nfs/dbraw/zinc/05/62/00/160056200.db2.gz BMVSURLJXICKIS-CMPLNLGQSA-N 0 0 300.424 0.917 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000408194883 160057366 /nfs/dbraw/zinc/05/73/66/160057366.db2.gz ZTGBWGXWKZDKEO-PWSUYJOCSA-N 0 0 305.396 0.769 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cc(C)nc(C)n3)CCO2)[nH]1 ZINC000408197930 160057369 /nfs/dbraw/zinc/05/73/69/160057369.db2.gz KMFCTDKDWCREMQ-GFCCVEGCSA-N 0 0 302.338 0.734 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408206782 160059969 /nfs/dbraw/zinc/05/99/69/160059969.db2.gz UQKJOJXXKXHGIB-MJBXVCDLSA-N 0 0 309.410 0.224 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408210082 160060881 /nfs/dbraw/zinc/06/08/81/160060881.db2.gz YBBRRDWRPIGAHC-KBPBESRZSA-N 0 0 324.425 0.588 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1(C)C ZINC000408208229 160061077 /nfs/dbraw/zinc/06/10/77/160061077.db2.gz ZNCZCUNRZOINJD-VXGBXAGGSA-N 0 0 309.410 0.759 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CSCC2=O)C[C@H]1O ZINC000408212014 160061508 /nfs/dbraw/zinc/06/15/08/160061508.db2.gz SWVZTMDPOUKAFK-GHMZBOCLSA-N 0 0 300.424 0.775 10 0 DCAERN CN(C)c1nccc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000408217283 160062344 /nfs/dbraw/zinc/06/23/44/160062344.db2.gz LLGPAQVWCZQNBZ-ZDUSSCGKSA-N 0 0 319.409 0.618 10 0 DCAERN C[C@H]1SCCN(S(=O)(=O)CCCS(C)(=O)=O)[C@@H]1C ZINC000408217170 160062349 /nfs/dbraw/zinc/06/23/49/160062349.db2.gz DWPXDNKGRUFMBI-NXEZZACHSA-N 0 0 315.482 0.577 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408219876 160063110 /nfs/dbraw/zinc/06/31/10/160063110.db2.gz RAKVWZKHEBHBKP-MGPQQGTHSA-N 0 0 316.467 0.857 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)s1 ZINC000408231979 160064552 /nfs/dbraw/zinc/06/45/52/160064552.db2.gz KXFBEMVBBICGAG-SNVBAGLBSA-N 0 0 308.407 0.490 10 0 DCAERN C[C@H]1[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1(F)F ZINC000408230468 160064762 /nfs/dbraw/zinc/06/47/62/160064762.db2.gz GVCBQFIDRMWZGZ-CABZTGNLSA-N 0 0 322.319 0.674 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)C1(F)F ZINC000408230500 160064921 /nfs/dbraw/zinc/06/49/21/160064921.db2.gz BJGNAVQHNHLMBP-XFWSIPNHSA-N 0 0 310.366 0.722 10 0 DCAERN C[C@H]1CN(C(=O)NCc2nccn2C(F)F)CCS1(=O)=O ZINC000408236358 160065983 /nfs/dbraw/zinc/06/59/83/160065983.db2.gz OHXGYRLMRFPJBW-QMMMGPOBSA-N 0 0 322.337 0.607 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cscn1 ZINC000408242451 160067606 /nfs/dbraw/zinc/06/76/06/160067606.db2.gz URROLIOTYJOLRJ-DTWKUNHWSA-N 0 0 303.409 0.733 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000408242949 160067759 /nfs/dbraw/zinc/06/77/59/160067759.db2.gz ADBANCAJXWVQJT-AGIUHOORSA-N 0 0 318.439 0.325 10 0 DCAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000408242323 160067862 /nfs/dbraw/zinc/06/78/62/160067862.db2.gz SHSJGAMPSNYJII-WDEREUQCSA-N 0 0 305.382 0.557 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000408248826 160069272 /nfs/dbraw/zinc/06/92/72/160069272.db2.gz XHZBVRVMSVTYIB-MRXNPFEDSA-N 0 0 316.361 0.184 10 0 DCAERN C[C@]1(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CCCO1 ZINC000408249309 160069392 /nfs/dbraw/zinc/06/93/92/160069392.db2.gz RZDOGWYKPNWCNN-DMDPSCGWSA-N 0 0 304.412 0.390 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000408252019 160069811 /nfs/dbraw/zinc/06/98/11/160069811.db2.gz KXANMWCPXUMXIW-BLLLJJGKSA-N 0 0 322.409 0.307 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000408254337 160070714 /nfs/dbraw/zinc/07/07/14/160070714.db2.gz MGYPCFQPGVTQNS-YWPUVAFDSA-N 0 0 318.439 0.802 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@H](C)[C@H](O)C2)c(=O)c1 ZINC000408264311 160072154 /nfs/dbraw/zinc/07/21/54/160072154.db2.gz JFXNSPDPCRXQRD-IOASZLSFSA-N 0 0 308.378 0.137 10 0 DCAERN Cc1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(=O)C2(C)C)on1 ZINC000408265675 160072247 /nfs/dbraw/zinc/07/22/47/160072247.db2.gz STHZFBMBXJBXPT-SNVBAGLBSA-N 0 0 320.349 0.977 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](C)CC2)N(S(C)(=O)=O)C1 ZINC000408268349 160072961 /nfs/dbraw/zinc/07/29/61/160072961.db2.gz MFWGDFSSTXVPKV-ZDEQEGDKSA-N 0 0 318.439 0.730 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000408273336 160073295 /nfs/dbraw/zinc/07/32/95/160073295.db2.gz BWNQBGNBJLTNLN-AVGNSLFASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1N1CCOCC1 ZINC000408274111 160073539 /nfs/dbraw/zinc/07/35/39/160073539.db2.gz WANHTQLXRYSMMM-QWHCGFSZSA-N 0 0 309.410 0.034 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C2CCC(O)CC2)C1=O ZINC000408295538 160078207 /nfs/dbraw/zinc/07/82/07/160078207.db2.gz VDJPLMQSJBXBOB-WXRRBKDZSA-N 0 0 320.393 0.583 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CO1 ZINC000408298151 160078917 /nfs/dbraw/zinc/07/89/17/160078917.db2.gz MHEYJLAKJCHFGU-QWHCGFSZSA-N 0 0 319.409 0.616 10 0 DCAERN CC(C)[C@@](C)(O)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000408301705 160079751 /nfs/dbraw/zinc/07/97/51/160079751.db2.gz UTRRCWXACRKVSR-OAHLLOKOSA-N 0 0 318.381 0.180 10 0 DCAERN COc1cc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)ncn1 ZINC000408306637 160081785 /nfs/dbraw/zinc/08/17/85/160081785.db2.gz AYXMUNNNLKXHQW-GFCCVEGCSA-N 0 0 306.366 0.560 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C)O3)CCO2)n1 ZINC000408318155 160084162 /nfs/dbraw/zinc/08/41/62/160084162.db2.gz IGPSBTSDVDDSGV-SWHYSGLUSA-N 0 0 308.382 0.690 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000408322910 160084627 /nfs/dbraw/zinc/08/46/27/160084627.db2.gz WILGRSXXTVQNFJ-QCNOEVLYSA-N 0 0 305.396 0.815 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)O1 ZINC000408321252 160084864 /nfs/dbraw/zinc/08/48/64/160084864.db2.gz ONSHLRJKHDHYKH-JQWIXIFHSA-N 0 0 304.412 0.436 10 0 DCAERN CO[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408344848 160088863 /nfs/dbraw/zinc/08/88/63/160088863.db2.gz BJNVXVJLPSUPQF-GZBFAFLISA-N 0 0 320.393 0.577 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408348656 160089778 /nfs/dbraw/zinc/08/97/78/160089778.db2.gz CVIANKVZZUOZNH-NHYWBVRUSA-N 0 0 309.366 0.082 10 0 DCAERN CNS(=O)(=O)NCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000408354523 160090936 /nfs/dbraw/zinc/09/09/36/160090936.db2.gz IDTVZGRXWQRYQN-SSDOTTSWSA-N 0 0 318.424 0.260 10 0 DCAERN NS(=O)(=O)N1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000408357455 160091514 /nfs/dbraw/zinc/09/15/14/160091514.db2.gz WVETVUVIFYGAAU-UHFFFAOYSA-N 0 0 300.315 0.292 10 0 DCAERN C[C@@H]1[C@H](C)N(Cc2ncnn2CC(F)F)CCS1(=O)=O ZINC000408358970 160091577 /nfs/dbraw/zinc/09/15/77/160091577.db2.gz RNMXIGHYLACLAG-DTWKUNHWSA-N 0 0 308.354 0.551 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1OC ZINC000408358350 160091627 /nfs/dbraw/zinc/09/16/27/160091627.db2.gz ODBZUMZNRRWZIC-MGPQQGTHSA-N 0 0 310.394 0.507 10 0 DCAERN COCC(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000408363223 160092559 /nfs/dbraw/zinc/09/25/59/160092559.db2.gz VFQRGCRRGSCLOY-LBPRGKRZSA-N 0 0 313.398 0.444 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccccc3O)CC2)CCCNC1=O ZINC000408370492 160093813 /nfs/dbraw/zinc/09/38/13/160093813.db2.gz LUBQQRHGACUNCI-QGZVFWFLSA-N 0 0 317.389 0.957 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000408372913 160094597 /nfs/dbraw/zinc/09/45/97/160094597.db2.gz CAPZRKVQUYXGAF-IUCAKERBSA-N 0 0 318.420 0.547 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408376830 160095278 /nfs/dbraw/zinc/09/52/78/160095278.db2.gz YJQHLXBXNHERFD-QWRGUYRKSA-N 0 0 316.423 0.154 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000408379116 160095299 /nfs/dbraw/zinc/09/52/99/160095299.db2.gz IVDAKVDHUONAJZ-AWEZNQCLSA-N 0 0 319.361 0.821 10 0 DCAERN CSC1(CNC(=O)N2CCO[C@H](CO)C2)CCOCC1 ZINC000408380580 160095827 /nfs/dbraw/zinc/09/58/27/160095827.db2.gz AQHUTULDHFLIPU-NSHDSACASA-N 0 0 304.412 0.301 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000408380589 160096201 /nfs/dbraw/zinc/09/62/01/160096201.db2.gz AUPFQYFVCPFZFU-NWDGAFQWSA-N 0 0 323.397 0.119 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408384622 160096501 /nfs/dbraw/zinc/09/65/01/160096501.db2.gz ZZNYFYZXFHHUEP-STQMWFEESA-N 0 0 324.425 0.696 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)C[C@@H](C)O1 ZINC000408383989 160096947 /nfs/dbraw/zinc/09/69/47/160096947.db2.gz FFKFXTOLSHVQTH-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CC[C@H](C)CS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408387522 160097339 /nfs/dbraw/zinc/09/73/39/160097339.db2.gz WUJJUMDNFVJPMI-INTQDDNPSA-N 0 0 303.384 0.862 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000408386186 160097749 /nfs/dbraw/zinc/09/77/49/160097749.db2.gz OEGUHKQNQDHVDB-SNVBAGLBSA-N 0 0 318.399 0.763 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCn2ccnc2C1 ZINC000408391296 160098140 /nfs/dbraw/zinc/09/81/40/160098140.db2.gz CQBCTOFRSZTCHB-NSHDSACASA-N 0 0 314.411 0.189 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000408391530 160098181 /nfs/dbraw/zinc/09/81/81/160098181.db2.gz CPIFISJQOXGRHU-ZNMIVQPWSA-N 0 0 324.421 0.897 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000408391280 160098259 /nfs/dbraw/zinc/09/82/59/160098259.db2.gz BXDSKVIEHGFKQR-SNVBAGLBSA-N 0 0 308.407 0.710 10 0 DCAERN CNC(=O)NC(=O)CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000408390229 160098275 /nfs/dbraw/zinc/09/82/75/160098275.db2.gz SITOCIJMWXJYMQ-NSHDSACASA-N 0 0 305.382 0.464 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)nn1C ZINC000408392525 160099232 /nfs/dbraw/zinc/09/92/32/160099232.db2.gz HNGZNGBWGKDUBU-ZDUSSCGKSA-N 0 0 302.382 0.591 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000408394885 160099600 /nfs/dbraw/zinc/09/96/00/160099600.db2.gz RKGLQRPNMYRERX-ZDEQEGDKSA-N 0 0 322.427 0.124 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCCCO3)CCO2)n1 ZINC000408402502 160101067 /nfs/dbraw/zinc/10/10/67/160101067.db2.gz NRPWTGPVHGUVGW-KGLIPLIRSA-N 0 0 308.382 0.691 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2([S@](C)=O)CCC2)C1 ZINC000408406195 160101922 /nfs/dbraw/zinc/10/19/22/160101922.db2.gz LYFQQAKRDYLWKK-ZMZPIMSZSA-N 0 0 308.469 0.854 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@](C)=O)CCC2)C[C@@H](C)O1 ZINC000408407536 160102222 /nfs/dbraw/zinc/10/22/22/160102222.db2.gz QUTVGMLTBSUJKP-BFKGZMGPSA-N 0 0 324.468 0.231 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](O)C1CCCCC1 ZINC000408413628 160103513 /nfs/dbraw/zinc/10/35/13/160103513.db2.gz CLFYAVNWCMWQFB-WCQYABFASA-N 0 0 303.424 0.821 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000408418968 160104328 /nfs/dbraw/zinc/10/43/28/160104328.db2.gz FMRAEZXJCIZMIX-RYUDHWBXSA-N 0 0 320.397 0.813 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000408418125 160104457 /nfs/dbraw/zinc/10/44/57/160104457.db2.gz UWSGPUFQBKXWHB-FVINQWEUSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CO1 ZINC000408419078 160104505 /nfs/dbraw/zinc/10/45/05/160104505.db2.gz GQAGAAUSHLSIQM-IJLUTSLNSA-N 0 0 306.366 0.280 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000408428295 160106101 /nfs/dbraw/zinc/10/61/01/160106101.db2.gz UIIXGAWQVXWAFN-AAEUAGOBSA-N 0 0 324.425 0.553 10 0 DCAERN CC1CCN(S(=O)(=O)NCc2nnc3ccccn32)CC1 ZINC000408448324 160109764 /nfs/dbraw/zinc/10/97/64/160109764.db2.gz SGGNSXHFERUWDT-UHFFFAOYSA-N 0 0 309.395 0.796 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408455813 160111970 /nfs/dbraw/zinc/11/19/70/160111970.db2.gz FLLMYALACPRAAH-INIZCTEOSA-N 0 0 311.426 0.986 10 0 DCAERN COCC1(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000408462420 160113537 /nfs/dbraw/zinc/11/35/37/160113537.db2.gz YVNXGJNSVWNCFZ-QWRGUYRKSA-N 0 0 302.396 0.238 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408468568 160114106 /nfs/dbraw/zinc/11/41/06/160114106.db2.gz NUIWTHIBIHNBCH-UHFFFAOYSA-N 0 0 317.415 0.304 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408470237 160115434 /nfs/dbraw/zinc/11/54/34/160115434.db2.gz QGFVVINGSGXIBE-GHMZBOCLSA-N 0 0 317.415 0.303 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000408472718 160115701 /nfs/dbraw/zinc/11/57/01/160115701.db2.gz WREMLKGNWXDKER-SRVKXCTJSA-N 0 0 324.343 0.869 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000408473534 160116487 /nfs/dbraw/zinc/11/64/87/160116487.db2.gz SHPZGCXZMQDRJQ-HUUCEWRRSA-N 0 0 318.421 0.290 10 0 DCAERN CCCn1nccc1NC(=O)CS(=O)(=O)N(CC)CC ZINC000073266950 286912467 /nfs/dbraw/zinc/91/24/67/286912467.db2.gz QLZDJTUHPZSFQE-UHFFFAOYSA-N 0 0 302.400 0.903 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000091414343 286935948 /nfs/dbraw/zinc/93/59/48/286935948.db2.gz YTKNUCUDGRNCEZ-UHFFFAOYSA-N 0 0 321.381 0.171 10 0 DCAERN CN(C)c1nc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)ns1 ZINC000121122310 286954025 /nfs/dbraw/zinc/95/40/25/286954025.db2.gz KJQJRWUYNKPGII-JTQLQIEISA-N 0 0 316.452 0.756 10 0 DCAERN CCCNC(=O)CCNC(=O)Nc1cc(CCOC)nn1C ZINC000128278231 286982151 /nfs/dbraw/zinc/98/21/51/286982151.db2.gz UHJLLIWLHOMPBF-UHFFFAOYSA-N 0 0 311.386 0.647 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)CCC1=O ZINC000128673904 286983853 /nfs/dbraw/zinc/98/38/53/286983853.db2.gz ILBLBNAWJOAFCF-ZDUSSCGKSA-N 0 0 317.393 0.534 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2cccs2)CC1 ZINC000131422527 287000259 /nfs/dbraw/zinc/00/02/59/287000259.db2.gz KUOPJVXGFRPIOM-ZDUSSCGKSA-N 0 0 309.435 0.853 10 0 DCAERN CN(CCC1CC1)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000133646429 287012337 /nfs/dbraw/zinc/01/23/37/287012337.db2.gz HNTXLEWZJJQBIQ-UHFFFAOYSA-N 0 0 314.349 0.859 10 0 DCAERN COC(=O)C1(NC[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1 ZINC000133669277 287012464 /nfs/dbraw/zinc/01/24/64/287012464.db2.gz JZAXKLCHPCSRHB-GFCCVEGCSA-N 0 0 318.439 0.733 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000133780384 287012826 /nfs/dbraw/zinc/01/28/26/287012826.db2.gz BNFUEKWAYUWHOF-SNVBAGLBSA-N 0 0 302.338 0.374 10 0 DCAERN COCCc1cc(NC(=O)NCCN2CCOCC2)n(C)n1 ZINC000134747582 287018184 /nfs/dbraw/zinc/01/81/84/287018184.db2.gz JLXGJZSGXIYCTR-UHFFFAOYSA-N 0 0 311.386 0.063 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000135059419 287019834 /nfs/dbraw/zinc/01/98/34/287019834.db2.gz CIFQJFQEYAZRIU-MELADBBJSA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCOC1 ZINC000135064596 287019871 /nfs/dbraw/zinc/01/98/71/287019871.db2.gz LJXQDPZVMUGYKJ-WCQYABFASA-N 0 0 301.346 0.938 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136124668 287025495 /nfs/dbraw/zinc/02/54/95/287025495.db2.gz FEZCEZPGZBJYGD-ZDUSSCGKSA-N 0 0 308.444 0.131 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000151384487 287033329 /nfs/dbraw/zinc/03/33/29/287033329.db2.gz QIFGKWRFGRUCGS-UHFFFAOYSA-N 0 0 315.337 0.262 10 0 DCAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000152129304 287039067 /nfs/dbraw/zinc/03/90/67/287039067.db2.gz RBMUSCINTDBWDH-CPCISQLKSA-N 0 0 312.272 0.654 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)NCCC1=CCCC1 ZINC000152487647 287041734 /nfs/dbraw/zinc/04/17/34/287041734.db2.gz UXWADKQQIWNFCL-UHFFFAOYSA-N 0 0 304.412 0.559 10 0 DCAERN CC[C@@H]1CN(CC(=O)NCCCOC)CCN1CC(F)F ZINC000153318933 287049185 /nfs/dbraw/zinc/04/91/85/287049185.db2.gz HMJZRGFZODLGLJ-GFCCVEGCSA-N 0 0 307.385 0.800 10 0 DCAERN Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153461250 287050164 /nfs/dbraw/zinc/05/01/64/287050164.db2.gz WBLHZPKUSVKMAS-CYBMUJFWSA-N 0 0 324.340 0.987 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2cc(C)ccn2c1=O)C(C)C ZINC000179128434 287055266 /nfs/dbraw/zinc/05/52/66/287055266.db2.gz UBJPDENIRMWEEB-ZDUSSCGKSA-N 0 0 316.361 0.503 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(C)c(C)c1 ZINC000186995183 287058121 /nfs/dbraw/zinc/05/81/21/287058121.db2.gz QHUZVBHEYZLVGF-OCCSQVGLSA-N 0 0 304.346 0.770 10 0 DCAERN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CNC(=O)C1)CC2 ZINC000194768703 287062408 /nfs/dbraw/zinc/06/24/08/287062408.db2.gz KOHIIXUVGKNZDV-LLVKDONJSA-N 0 0 304.346 0.725 10 0 DCAERN COCCN(Cc1cnn(-c2ccccc2)n1)[C@H](C)C(N)=O ZINC000106314625 292507864 /nfs/dbraw/zinc/50/78/64/292507864.db2.gz BAFFWQDNECWZKN-GFCCVEGCSA-N 0 0 303.366 0.590 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245418155 287069287 /nfs/dbraw/zinc/06/92/87/287069287.db2.gz GKTSFKWPPODVNE-CPCISQLKSA-N 0 0 309.288 0.362 10 0 DCAERN Cc1nc(SCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)n[nH]1 ZINC000245443049 287069318 /nfs/dbraw/zinc/06/93/18/287069318.db2.gz WVVZXLXXYKDVCL-ZJUUUORDSA-N 0 0 313.427 0.119 10 0 DCAERN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)[C@@H]1CCCO1 ZINC000245680098 287072047 /nfs/dbraw/zinc/07/20/47/287072047.db2.gz JWAXJYNPOLLXEK-GARJFASQSA-N 0 0 306.428 0.634 10 0 DCAERN C[C@@H](NC(=O)CCCC(=O)N[C@@H](C)[C@H](C)CO)[C@H](C)CO ZINC000245686736 287072308 /nfs/dbraw/zinc/07/23/08/287072308.db2.gz SZJZOIMBZNFEEZ-LPWJVIDDSA-N 0 0 302.415 0.423 10 0 DCAERN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000245692492 287072325 /nfs/dbraw/zinc/07/23/25/287072325.db2.gz WIWPFYYDGLVFST-UMSGYPCISA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1C[C@@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000245722226 287072655 /nfs/dbraw/zinc/07/26/55/287072655.db2.gz UXFAKMMCUJXINX-PPCPHDFISA-N 0 0 306.428 0.886 10 0 DCAERN CCN(C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1)S(C)(=O)=O ZINC000246041735 287075740 /nfs/dbraw/zinc/07/57/40/287075740.db2.gz OYHWKGFJYJEFSI-DGCLKSJQSA-N 0 0 318.439 0.826 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000246083108 287076209 /nfs/dbraw/zinc/07/62/09/287076209.db2.gz HRRARWQYSZOKLJ-RWMBFGLXSA-N 0 0 318.439 0.420 10 0 DCAERN CCC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000246350263 287081959 /nfs/dbraw/zinc/08/19/59/287081959.db2.gz IZJIAGCMUKDGLX-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C)[C@H]1C ZINC000246724907 287087225 /nfs/dbraw/zinc/08/72/25/287087225.db2.gz XWRCDCFTHOMEIR-JHJVBQTASA-N 0 0 318.439 0.826 10 0 DCAERN CNC(=O)Cc1nc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)cs1 ZINC000246826717 287088443 /nfs/dbraw/zinc/08/84/43/287088443.db2.gz ZEAVQIODHUSMIA-VXGBXAGGSA-N 0 0 322.434 0.675 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246861975 287088829 /nfs/dbraw/zinc/08/88/29/287088829.db2.gz WBDCJFOFWIPLPB-BBBLOLIVSA-N 0 0 318.420 0.590 10 0 DCAERN CC(C)N1CC[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000246688247 287086646 /nfs/dbraw/zinc/08/66/46/287086646.db2.gz IEWJOHCAZKKCGI-NEPJUHHUSA-N 0 0 303.428 0.562 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000247380872 287093261 /nfs/dbraw/zinc/09/32/61/287093261.db2.gz OWPJFHDREZXTQG-AVGNSLFASA-N 0 0 324.425 0.696 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247021514 287090303 /nfs/dbraw/zinc/09/03/03/287090303.db2.gz JQHIZBHUIBXECY-CRWXNKLISA-N 0 0 316.467 0.998 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247145384 287091442 /nfs/dbraw/zinc/09/14/42/287091442.db2.gz ROVLQNULUKBNDJ-UPJWGTAASA-N 0 0 302.440 0.895 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000247274182 287092500 /nfs/dbraw/zinc/09/25/00/287092500.db2.gz ZQOYUKGENOTKGW-KBPBESRZSA-N 0 0 319.471 0.616 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000248372862 287096591 /nfs/dbraw/zinc/09/65/91/287096591.db2.gz DFPZNJUNMRHAPD-WCQYABFASA-N 0 0 304.412 0.643 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000248657302 287099513 /nfs/dbraw/zinc/09/95/13/287099513.db2.gz XFLHYKVVFFAOGT-JQWIXIFHSA-N 0 0 303.428 0.549 10 0 DCAERN CC[C@H]1CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000247560791 287094559 /nfs/dbraw/zinc/09/45/59/287094559.db2.gz QTBHULSRXHATLN-YPMHNXCESA-N 0 0 313.467 0.939 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CCOC[C@H]3C)C2=O)n(C)n1 ZINC000248880350 287102766 /nfs/dbraw/zinc/10/27/66/287102766.db2.gz SGFCLMSUAUVUQZ-RTXFEEFZSA-N 0 0 320.393 0.623 10 0 DCAERN CC[C@]1(C)CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000248959871 287104253 /nfs/dbraw/zinc/10/42/53/287104253.db2.gz QTZQTTMCNAMDIE-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000249556051 287113914 /nfs/dbraw/zinc/11/39/14/287113914.db2.gz MEILFOPLFHHSTL-TUAOUCFPSA-N 0 0 304.412 0.342 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@](C)(O)C2)[C@@H]1c1cccnc1 ZINC000252799252 287120981 /nfs/dbraw/zinc/12/09/81/287120981.db2.gz AIFVZHNGKDJMSY-JLJPHGGASA-N 0 0 317.389 0.974 10 0 DCAERN O=C(NC/C=C\c1ccccc1)NCCN1C(=O)CNC1=O ZINC000254991580 287122102 /nfs/dbraw/zinc/12/21/02/287122102.db2.gz LUPRREMURVJXSO-DAXSKMNVSA-N 0 0 302.334 0.551 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@@]2(CCOC2)O1 ZINC000329320977 287156720 /nfs/dbraw/zinc/15/67/20/287156720.db2.gz IZQSCAUSHFYODS-MCYUEQNJSA-N 0 0 312.366 0.866 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C[C@@H](C)S1(=O)=O ZINC000329250761 287160732 /nfs/dbraw/zinc/16/07/32/287160732.db2.gz XUDZBZAMQQLHKE-LBELIVKGSA-N 0 0 301.408 0.836 10 0 DCAERN CC(=O)c1ccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)cc1C ZINC000354954312 287170822 /nfs/dbraw/zinc/17/08/22/287170822.db2.gz NLIOTIADVYLRBP-SECBINFHSA-N 0 0 313.379 0.996 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000358395968 287208336 /nfs/dbraw/zinc/20/83/36/287208336.db2.gz NLMQODYZPFKJNV-MNOVXSKESA-N 0 0 311.386 0.629 10 0 DCAERN CC[C@@H]1COCCN1S(=O)(=O)[C@H]1CCC[C@H]1C(=O)OC ZINC000300177320 287237370 /nfs/dbraw/zinc/23/73/70/287237370.db2.gz XDAPPQMFHXCDKX-UTUOFQBUSA-N 0 0 305.396 0.769 10 0 DCAERN Cn1c(NC(C)(C)C)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 ZINC000521135084 412467562 /nfs/dbraw/zinc/46/75/62/412467562.db2.gz BEQDELIWCOVDSC-SECBINFHSA-N 0 0 317.415 0.358 10 0 DCAERN O=S1(=O)N=C(N2CCC3(CC2)OCCO3)c2ccccc21 ZINC000003199286 415131210 /nfs/dbraw/zinc/13/12/10/415131210.db2.gz QSVFQFZVWVQRSB-UHFFFAOYSA-N 0 0 308.359 0.974 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CCC(=O)N(C)C2)NC1=O ZINC000265621667 415131927 /nfs/dbraw/zinc/13/19/27/415131927.db2.gz BTXWBYPIMQUVBT-UWVGGRQHSA-N 0 0 317.345 0.757 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NCCCN2CCCC2=O)n1 ZINC000009857931 415146727 /nfs/dbraw/zinc/14/67/27/415146727.db2.gz YFIFEEHIRWTWAC-UHFFFAOYSA-N 0 0 304.350 0.457 10 0 DCAERN Cc1cn2cc(NC(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc2n1 ZINC000268222790 415178908 /nfs/dbraw/zinc/17/89/08/415178908.db2.gz MHJQAAALGJGNMY-GFCCVEGCSA-N 0 0 314.349 0.884 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cnccn2)CC1 ZINC000027927722 415171479 /nfs/dbraw/zinc/17/14/79/415171479.db2.gz GFZPHPMAMJPKNX-UHFFFAOYSA-N 0 0 314.393 0.785 10 0 DCAERN CCN(CC)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000027474955 415173542 /nfs/dbraw/zinc/17/35/42/415173542.db2.gz WKKYESXJCRYYSG-JTQLQIEISA-N 0 0 309.391 0.982 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000051857074 415318621 /nfs/dbraw/zinc/31/86/21/415318621.db2.gz AFXYOOFUYDNRJA-KBPBESRZSA-N 0 0 309.410 0.367 10 0 DCAERN CCCNC(=O)CCNC(=O)NCc1cccnc1N(C)C ZINC000057297771 415337351 /nfs/dbraw/zinc/33/73/51/415337351.db2.gz ZPIBNSABHFOTAP-UHFFFAOYSA-N 0 0 307.398 0.863 10 0 DCAERN Cc1ccc(CN(C)C(=O)Cn2cnc3c(cnn3C)c2=O)o1 ZINC000061384210 415344564 /nfs/dbraw/zinc/34/45/64/415344564.db2.gz SQVUFFOPDDOWBS-UHFFFAOYSA-N 0 0 315.333 0.690 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000068418674 415394200 /nfs/dbraw/zinc/39/42/00/415394200.db2.gz HIIGSBPZENIXHE-VXGBXAGGSA-N 0 0 318.377 0.921 10 0 DCAERN CC(=O)C1(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000353061799 415420791 /nfs/dbraw/zinc/42/07/91/415420791.db2.gz GYCWGGGJQDZAKH-GHMZBOCLSA-N 0 0 302.396 0.190 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCc3n[nH]c(=S)n3C)c2n1 ZINC000067052000 415371279 /nfs/dbraw/zinc/37/12/79/415371279.db2.gz UMNZZYOOQYZOKA-UHFFFAOYSA-N 0 0 317.378 0.801 10 0 DCAERN CC[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)OC ZINC000084275491 415494751 /nfs/dbraw/zinc/49/47/51/415494751.db2.gz HXPQOLMFUCXVSZ-GFCCVEGCSA-N 0 0 310.325 0.552 10 0 DCAERN CC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)C(=O)OC ZINC000084372086 415494767 /nfs/dbraw/zinc/49/47/67/415494767.db2.gz VMXCYIMUUMKXSI-LLVKDONJSA-N 0 0 320.349 0.250 10 0 DCAERN CC[C@@H](NC(=O)CCn1cnc2sccc2c1=O)C(=O)OC ZINC000084278575 415497021 /nfs/dbraw/zinc/49/70/21/415497021.db2.gz PCDPQCSWHIAQNB-SNVBAGLBSA-N 0 0 323.374 0.916 10 0 DCAERN CCOCCNC(=O)CSc1nnnn1-c1ccccc1 ZINC000084646225 415497443 /nfs/dbraw/zinc/49/74/43/415497443.db2.gz GOCIVENVEHGHIU-UHFFFAOYSA-N 0 0 307.379 0.907 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N(CCC(F)(F)F)CC1CC1 ZINC000084281162 415498177 /nfs/dbraw/zinc/49/81/77/415498177.db2.gz XGVHSSJJHLLVND-UHFFFAOYSA-N 0 0 307.272 0.729 10 0 DCAERN c1cc(NCCCO[C@@H]2CCOC2)nc(N2CCOCC2)n1 ZINC000353292357 415498975 /nfs/dbraw/zinc/49/89/75/415498975.db2.gz LDXFMZAKIHZXGK-CYBMUJFWSA-N 0 0 308.382 0.921 10 0 DCAERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCCC[C@H]1O ZINC000332878671 415499890 /nfs/dbraw/zinc/49/98/90/415499890.db2.gz MGBLBGGDKNHJNF-SDDRHHMPSA-N 0 0 304.412 0.414 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](C)O1 ZINC000332783991 415472601 /nfs/dbraw/zinc/47/26/01/415472601.db2.gz MTWKAVLRPBCJHN-ZUWCUPBKSA-N 0 0 323.397 0.721 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000332794183 415477606 /nfs/dbraw/zinc/47/76/06/415477606.db2.gz ORIUYANLFLIZPE-RFQIPJPRSA-N 0 0 324.425 0.855 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088235682 415513556 /nfs/dbraw/zinc/51/35/56/415513556.db2.gz AHKCYSQBNUKEGC-SNVBAGLBSA-N 0 0 309.341 0.564 10 0 DCAERN COCCc1cc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)n(C)n1 ZINC000089875892 415522988 /nfs/dbraw/zinc/52/29/88/415522988.db2.gz YKGFQALLYNKTSM-LLVKDONJSA-N 0 0 311.386 0.631 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000333028324 415535917 /nfs/dbraw/zinc/53/59/17/415535917.db2.gz BPKCJDYBQPDRBT-YIYPIFLZSA-N 0 0 318.439 0.699 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2C)C1 ZINC000091414312 415536972 /nfs/dbraw/zinc/53/69/72/415536972.db2.gz RPHQENRFHRAESE-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN Cc1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cnn1C(C)C ZINC000092463082 415539152 /nfs/dbraw/zinc/53/91/52/415539152.db2.gz XBBAXOANXQKUIZ-NSHDSACASA-N 0 0 314.411 0.536 10 0 DCAERN O=C([O-])[C@H]1CN(Cc2ccc(Br)nc2)CC[NH2+]1 ZINC000095078075 415550394 /nfs/dbraw/zinc/55/03/94/415550394.db2.gz LMZHPPYMGKTBQL-SECBINFHSA-N 0 0 300.156 0.703 10 0 DCAERN COC[C@@]1(CO)CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333106874 415556743 /nfs/dbraw/zinc/55/67/43/415556743.db2.gz DFJSXLWISTUELS-RFGFWPKPSA-N 0 0 303.424 0.836 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333107740 415556953 /nfs/dbraw/zinc/55/69/53/415556953.db2.gz WQZCQPZXFPJKBT-QLFBSQMISA-N 0 0 321.421 0.905 10 0 DCAERN CO[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC[C@H]1C ZINC000281658500 415563590 /nfs/dbraw/zinc/56/35/90/415563590.db2.gz SHCSGNTXSWQCKO-KCJUWKMLSA-N 0 0 316.379 0.732 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cc12 ZINC000284761305 415601517 /nfs/dbraw/zinc/60/15/17/415601517.db2.gz SCBGWLRAOOQJFH-KGLIPLIRSA-N 0 0 315.377 0.811 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)no1 ZINC000103044098 415607086 /nfs/dbraw/zinc/60/70/86/415607086.db2.gz OLEJYOHIHZPLSX-RYUDHWBXSA-N 0 0 306.366 0.637 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)c2ccccc2)[nH]1 ZINC000103281264 415613236 /nfs/dbraw/zinc/61/32/36/415613236.db2.gz GCPPKSUKDDOMIH-OCCSQVGLSA-N 0 0 313.361 0.797 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CC[C@H](CCO)C2)cn1 ZINC000333356607 415623309 /nfs/dbraw/zinc/62/33/09/415623309.db2.gz GNFFMDGYQOEYHS-BNOWGMLFSA-N 0 0 308.382 0.664 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104783079 415627071 /nfs/dbraw/zinc/62/70/71/415627071.db2.gz BLZYLCQQERNZIG-CYBMUJFWSA-N 0 0 307.398 0.277 10 0 DCAERN Cc1nnc([C@@H](NC(=O)NCC(=O)N(C)C)c2ccccc2)[nH]1 ZINC000105086409 415630280 /nfs/dbraw/zinc/63/02/80/415630280.db2.gz NBICIKXJBYQMHR-ZDUSSCGKSA-N 0 0 316.365 0.590 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)c1 ZINC000105859282 415638944 /nfs/dbraw/zinc/63/89/44/415638944.db2.gz XFDWQYHMBCYZJF-LBPRGKRZSA-N 0 0 314.411 0.246 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000106810169 415647970 /nfs/dbraw/zinc/64/79/70/415647970.db2.gz AQBKNLVWZTYYAF-LLVKDONJSA-N 0 0 302.334 0.067 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCO[C@H](CO)C2)cn1 ZINC000333485819 415665087 /nfs/dbraw/zinc/66/50/87/415665087.db2.gz TVQOCBQIFDIZDX-MELADBBJSA-N 0 0 309.366 0.200 10 0 DCAERN CCc1nc(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)cs1 ZINC000107616948 415673234 /nfs/dbraw/zinc/67/32/34/415673234.db2.gz MUTPUSOXVZXOLS-SNVBAGLBSA-N 0 0 311.407 0.817 10 0 DCAERN CC[C@@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000115308249 415723564 /nfs/dbraw/zinc/72/35/64/415723564.db2.gz NKMDIRXUIMPOSL-LLVKDONJSA-N 0 0 317.345 0.327 10 0 DCAERN CCC(=O)N1CCN(Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000333750940 415732397 /nfs/dbraw/zinc/73/23/97/415732397.db2.gz NQYGSMYKPPKWOE-UHFFFAOYSA-N 0 0 307.379 0.471 10 0 DCAERN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C1CC1 ZINC000333623013 415698565 /nfs/dbraw/zinc/69/85/65/415698565.db2.gz YUJKBBHNMBIPML-NWDGAFQWSA-N 0 0 300.424 0.649 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000333651303 415705429 /nfs/dbraw/zinc/70/54/29/415705429.db2.gz VULCGSZTJOAIKV-RISCZKNCSA-N 0 0 300.378 0.340 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112656017 415712970 /nfs/dbraw/zinc/71/29/70/415712970.db2.gz LJZXBAKXHOXVSU-JTQLQIEISA-N 0 0 307.379 0.331 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000333838082 415748021 /nfs/dbraw/zinc/74/80/21/415748021.db2.gz MTACUBIMWHDNTQ-DCAQKATOSA-N 0 0 313.423 0.281 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000120533644 415773835 /nfs/dbraw/zinc/77/38/35/415773835.db2.gz WSUAWTGARKVZMG-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc12 ZINC000120548508 415776111 /nfs/dbraw/zinc/77/61/11/415776111.db2.gz ZKJFQARUIVNWRK-RKDXNWHRSA-N 0 0 312.395 0.572 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](COC)C3CC3)CCO2)[nH]1 ZINC000119855766 415752380 /nfs/dbraw/zinc/75/23/80/415752380.db2.gz NASOYVLSGUJTBJ-NWDGAFQWSA-N 0 0 323.397 0.875 10 0 DCAERN O=C(Nc1nc2ccccn2n1)N1CCN(C(=O)C2CC2)C1 ZINC000333874965 415756782 /nfs/dbraw/zinc/75/67/82/415756782.db2.gz SQVOBITZCYLXNO-UHFFFAOYSA-N 0 0 300.322 0.773 10 0 DCAERN NC(=O)c1csc(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000122312706 415829546 /nfs/dbraw/zinc/82/95/46/415829546.db2.gz XAZUMPDHUBUZDV-GFCCVEGCSA-N 0 0 306.391 0.945 10 0 DCAERN COC(=O)Cc1ccccc1NC(=O)C(=O)NCc1ccc[nH]1 ZINC000124022247 415847124 /nfs/dbraw/zinc/84/71/24/415847124.db2.gz ANGQQHZUEPGRCZ-UHFFFAOYSA-N 0 0 315.329 0.985 10 0 DCAERN CN(CC1CCC1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000124583164 415852121 /nfs/dbraw/zinc/85/21/21/415852121.db2.gz OIHVVXSDARQMNO-GFCCVEGCSA-N 0 0 303.428 0.709 10 0 DCAERN CN(CCc1nccs1)C(=O)CNC(=O)c1cccnc1 ZINC000120776723 415783852 /nfs/dbraw/zinc/78/38/52/415783852.db2.gz GUASPSWKKDFWSK-UHFFFAOYSA-N 0 0 304.375 0.969 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000120836214 415786630 /nfs/dbraw/zinc/78/66/30/415786630.db2.gz YCQQGMHNGSSGRB-DTWKUNHWSA-N 0 0 303.409 0.734 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)CCO)C(C)C ZINC000121169445 415798101 /nfs/dbraw/zinc/79/81/01/415798101.db2.gz AOWAOGJPTZZKFU-AWEZNQCLSA-N 0 0 308.378 0.900 10 0 DCAERN COCc1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000121363139 415799682 /nfs/dbraw/zinc/79/96/82/415799682.db2.gz FVECUOKCICAQOG-CQSZACIVSA-N 0 0 308.378 0.256 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(-c3cccnc3)on2)C1 ZINC000121425043 415803895 /nfs/dbraw/zinc/80/38/95/415803895.db2.gz JEVMKAOHJSTVBY-UHFFFAOYSA-N 0 0 300.318 0.945 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2cncc(Br)c2)C1 ZINC000336711851 415812397 /nfs/dbraw/zinc/81/23/97/415812397.db2.gz PVPJBDPKTKEASE-NSHDSACASA-N 0 0 300.156 0.266 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2ccncc2)CCS1(=O)=O ZINC000121646243 415813193 /nfs/dbraw/zinc/81/31/93/415813193.db2.gz YBGQTCWXNPTXGB-NSHDSACASA-N 0 0 314.432 0.960 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126735190 415880760 /nfs/dbraw/zinc/88/07/60/415880760.db2.gz UFZVXIOSHRYPHE-OLZOCXBDSA-N 0 0 319.471 0.791 10 0 DCAERN CC[C@H](OC1CCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128026647 415895631 /nfs/dbraw/zinc/89/56/31/415895631.db2.gz TZWJTROICNDFCF-HIFRSBDPSA-N 0 0 314.426 0.534 10 0 DCAERN O=C(CNC(=O)c1cccs1)NCC[C@@H](O)C(F)(F)F ZINC000337038007 415897156 /nfs/dbraw/zinc/89/71/56/415897156.db2.gz KJEVWSZHDWGNPR-MRVPVSSYSA-N 0 0 310.297 0.907 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000356353749 415903316 /nfs/dbraw/zinc/90/33/16/415903316.db2.gz APDKZHFPSZEPKI-SNVBAGLBSA-N 0 0 313.379 0.546 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000130446758 415919268 /nfs/dbraw/zinc/91/92/68/415919268.db2.gz CPSVUJZQMCQSKY-UHFFFAOYSA-N 0 0 318.308 0.632 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000131072297 415925602 /nfs/dbraw/zinc/92/56/02/415925602.db2.gz WHFSVRSOLRKNFD-QWHCGFSZSA-N 0 0 314.430 0.393 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)c1c(F)cncc1F ZINC000344152442 415852853 /nfs/dbraw/zinc/85/28/53/415852853.db2.gz LLNVCASUISLTTD-LPBBDHJYSA-N 0 0 313.304 0.519 10 0 DCAERN C[C@@H](C(=O)NCCNC(=O)c1ccccc1)N1CCSCC1 ZINC000124977636 415856755 /nfs/dbraw/zinc/85/67/55/415856755.db2.gz DVJRSCSMHCINGH-ZDUSSCGKSA-N 0 0 321.446 0.970 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337303246 415942217 /nfs/dbraw/zinc/94/22/17/415942217.db2.gz QJZNCNUYMKZYEC-MCIONIFRSA-N 0 0 310.394 0.387 10 0 DCAERN CC(C)[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000134224337 415955090 /nfs/dbraw/zinc/95/50/90/415955090.db2.gz KBOVLQPCJVQRRP-UMVBOHGHSA-N 0 0 305.378 0.734 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000151087232 415963908 /nfs/dbraw/zinc/96/39/08/415963908.db2.gz NCWYQEUOMCEXBF-GHMZBOCLSA-N 0 0 305.382 0.660 10 0 DCAERN C[C@@]1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCCO1 ZINC000151282397 415964554 /nfs/dbraw/zinc/96/45/54/415964554.db2.gz ZICANLGDOIERBF-INIZCTEOSA-N 0 0 310.394 0.653 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)[nH]n1 ZINC000152751125 415969015 /nfs/dbraw/zinc/96/90/15/415969015.db2.gz MRFIMXYVRXPVBN-ONGXEEELSA-N 0 0 303.370 0.555 10 0 DCAERN Cc1ccc([C@]2(C)NC(=O)N(CC3(O)CCOCC3)C2=O)o1 ZINC000153018273 415973216 /nfs/dbraw/zinc/97/32/16/415973216.db2.gz LQWVURXQACMWCL-AWEZNQCLSA-N 0 0 308.334 0.897 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C)C(=O)C1 ZINC000153351202 415978009 /nfs/dbraw/zinc/97/80/09/415978009.db2.gz BFHKOGIIZHHCGH-SNVBAGLBSA-N 0 0 306.370 0.159 10 0 DCAERN CN1C[C@H](NC(=O)c2cc(S(C)(=O)=O)cs2)CCC1=O ZINC000153462654 415981026 /nfs/dbraw/zinc/98/10/26/415981026.db2.gz YDMCZUSXVONMSW-MRVPVSSYSA-N 0 0 316.404 0.502 10 0 DCAERN O=C(CCc1nc(C2CCCC2)no1)N[C@H]1CCC(=O)NC1=O ZINC000153388805 415981031 /nfs/dbraw/zinc/98/10/31/415981031.db2.gz YEMZPKHJDWPDNI-JTQLQIEISA-N 0 0 320.349 0.581 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)N1CC[C@@]2(CCOC2)C1 ZINC000155105799 415993651 /nfs/dbraw/zinc/99/36/51/415993651.db2.gz ZTEJZTJIUHRIPL-MRXNPFEDSA-N 0 0 316.361 0.525 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155127669 415995642 /nfs/dbraw/zinc/99/56/42/415995642.db2.gz HBKYUHJIWVSCQD-GFCCVEGCSA-N 0 0 320.455 0.427 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000344880790 416002218 /nfs/dbraw/zinc/00/22/18/416002218.db2.gz UVQOELIPDBJPAA-NXEZZACHSA-N 0 0 311.407 0.652 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)CN1CCOCC1 ZINC000172335396 416045952 /nfs/dbraw/zinc/04/59/52/416045952.db2.gz HDYUNGJFTKBEAF-LBPRGKRZSA-N 0 0 308.382 0.475 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000299135556 416054959 /nfs/dbraw/zinc/05/49/59/416054959.db2.gz WUSVJXNIQRKKQQ-GIPNMCIBSA-N 0 0 309.395 0.237 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000173241392 416056430 /nfs/dbraw/zinc/05/64/30/416056430.db2.gz KNCVSWHAHYWTCT-GFCCVEGCSA-N 0 0 307.398 0.959 10 0 DCAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000173357315 416057195 /nfs/dbraw/zinc/05/71/95/416057195.db2.gz LMPBKJSNJXXCRM-IONNQARKSA-N 0 0 321.303 0.553 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCC[C@H](C)O)ncn1 ZINC000173424800 416058851 /nfs/dbraw/zinc/05/88/51/416058851.db2.gz SXJYZSYGXWJFDH-RYUDHWBXSA-N 0 0 322.413 0.557 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)c1cnn(C)c1 ZINC000173445337 416059366 /nfs/dbraw/zinc/05/93/66/416059366.db2.gz PQYRPRAQBYWLND-SECBINFHSA-N 0 0 303.366 0.701 10 0 DCAERN COc1ncccc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173527173 416060508 /nfs/dbraw/zinc/06/05/08/416060508.db2.gz VYFGYBNBYXVJJS-NSHDSACASA-N 0 0 303.322 0.730 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)[nH]1 ZINC000173605386 416061815 /nfs/dbraw/zinc/06/18/15/416061815.db2.gz OMMSJOXQNGNABK-GFCCVEGCSA-N 0 0 315.333 0.652 10 0 DCAERN COC(=O)CSCCNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000357329734 416063557 /nfs/dbraw/zinc/06/35/57/416063557.db2.gz FNVFMMDMGRXTIN-NSHDSACASA-N 0 0 324.402 0.827 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)[nH]1 ZINC000173754828 416063863 /nfs/dbraw/zinc/06/38/63/416063863.db2.gz FOHGXJSHNGQPDL-CYBMUJFWSA-N 0 0 302.334 0.961 10 0 DCAERN Cc1nnc([C@H]2CN(CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673049 416064234 /nfs/dbraw/zinc/06/42/34/416064234.db2.gz GEQSBARQEGPSPU-CYBMUJFWSA-N 0 0 307.398 0.935 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)Cn1cccn1 ZINC000173788221 416066261 /nfs/dbraw/zinc/06/62/61/416066261.db2.gz DFGWBUUHHKIUCI-HUUCEWRRSA-N 0 0 321.425 0.635 10 0 DCAERN CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173941516 416070702 /nfs/dbraw/zinc/07/07/02/416070702.db2.gz INCXYZGUXFCSIM-ZDUSSCGKSA-N 0 0 324.425 0.113 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C12CCCC2 ZINC000357386326 416070790 /nfs/dbraw/zinc/07/07/90/416070790.db2.gz WWWXVVNRFLRIAM-ZQDZILKHSA-N 0 0 324.421 0.822 10 0 DCAERN CCOc1c(F)cccc1C(=O)Nc1ncn(CC(=O)NC)n1 ZINC000174010633 416072374 /nfs/dbraw/zinc/07/23/74/416072374.db2.gz BDQQEAWPENDWIA-UHFFFAOYSA-N 0 0 321.312 0.814 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@@]2(C)CCCOC2)cn1C ZINC000357416720 416077129 /nfs/dbraw/zinc/07/71/29/416077129.db2.gz BLUALPLGKUGZEG-ZDUSSCGKSA-N 0 0 315.395 0.232 10 0 DCAERN CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337733299 416002474 /nfs/dbraw/zinc/00/24/74/416002474.db2.gz PIAXGRIYXXONFQ-NEPJUHHUSA-N 0 0 304.412 0.580 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CCN1C ZINC000298485519 416010312 /nfs/dbraw/zinc/01/03/12/416010312.db2.gz QEOQLMGHOJAPGH-OLZOCXBDSA-N 0 0 307.398 0.597 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 ZINC000426885729 287324001 /nfs/dbraw/zinc/32/40/01/287324001.db2.gz DZXPNLLPFUQWAS-NSHDSACASA-N 0 0 324.402 0.928 10 0 DCAERN CN(C)S(=O)(=O)/C=C\c1ccc(S(=O)(=O)N(C)C)s1 ZINC000169619102 416026039 /nfs/dbraw/zinc/02/60/39/416026039.db2.gz CVSLCKSGTLUKIQ-FPLPWBNLSA-N 0 0 324.449 0.861 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)Cn1cccnc1=O ZINC000345023511 416030119 /nfs/dbraw/zinc/03/01/19/416030119.db2.gz QUKQUAJQAREJPW-UHFFFAOYSA-N 0 0 300.318 0.865 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171233987 416037470 /nfs/dbraw/zinc/03/74/70/416037470.db2.gz JANUJMDLYAFRPH-LLVKDONJSA-N 0 0 315.395 0.594 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1C[C@@H](C)O ZINC000174643446 416084059 /nfs/dbraw/zinc/08/40/59/416084059.db2.gz ZRGYTLRIIVGSME-ZYHUDNBSSA-N 0 0 324.381 0.225 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174752797 416085165 /nfs/dbraw/zinc/08/51/65/416085165.db2.gz ZJIQPGKBAGTDRU-SECBINFHSA-N 0 0 320.736 0.716 10 0 DCAERN CC[C@@](C)(O)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000174766131 416086179 /nfs/dbraw/zinc/08/61/79/416086179.db2.gz XQYVEXHWCHOVHA-MRXNPFEDSA-N 0 0 322.409 0.979 10 0 DCAERN COc1ccc(-c2noc(-c3cn(CC(N)=O)nn3)n2)cc1 ZINC000174828279 416088971 /nfs/dbraw/zinc/08/89/71/416088971.db2.gz OLEHBPZTXDZXGZ-UHFFFAOYSA-N 0 0 300.278 0.489 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928320 416089755 /nfs/dbraw/zinc/08/97/55/416089755.db2.gz WNTVZPFZBRHCRU-ZIAGYGMSSA-N 0 0 319.409 0.282 10 0 DCAERN Cn1cc(N2CCN(Cc3nnc(C4CC4)n3C)CC2)cn1 ZINC000174917785 416090705 /nfs/dbraw/zinc/09/07/05/416090705.db2.gz AOEVRMZZWLOZPE-UHFFFAOYSA-N 0 0 301.398 0.748 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CC(=O)N(C)C)C2)n1 ZINC000174920324 416090831 /nfs/dbraw/zinc/09/08/31/416090831.db2.gz HDCFPOVVRQROAL-ZDUSSCGKSA-N 0 0 307.398 0.612 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)CCC1=O ZINC000174952937 416091820 /nfs/dbraw/zinc/09/18/20/416091820.db2.gz HBUBHSZWWUIUMS-LBPRGKRZSA-N 0 0 314.345 0.843 10 0 DCAERN CC1(CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCC1 ZINC000175068626 416095243 /nfs/dbraw/zinc/09/52/43/416095243.db2.gz LHLHKIZJYCCDCG-UHFFFAOYSA-N 0 0 309.391 0.790 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000175293562 416102532 /nfs/dbraw/zinc/10/25/32/416102532.db2.gz PEDLCTGIWXJMLN-WDEREUQCSA-N 0 0 301.412 0.316 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000175306746 416102987 /nfs/dbraw/zinc/10/29/87/416102987.db2.gz MTBUDNYZXVYRGU-ZDUSSCGKSA-N 0 0 316.361 0.696 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000175358455 416103812 /nfs/dbraw/zinc/10/38/12/416103812.db2.gz OEMFFZWFILKLLX-SRVKXCTJSA-N 0 0 318.395 0.911 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000345496573 416105114 /nfs/dbraw/zinc/10/51/14/416105114.db2.gz AIJJHTOSMRYRPV-HOTGVXAUSA-N 0 0 320.389 0.745 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NCCC(N)=O)[C@@H]1c1ccccc1 ZINC000175431484 416106294 /nfs/dbraw/zinc/10/62/94/416106294.db2.gz XWWVILGXBRIHRR-DOMZBBRYSA-N 0 0 303.362 0.588 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)c2cnn(C)c2n1 ZINC000175478711 416107542 /nfs/dbraw/zinc/10/75/42/416107542.db2.gz NAWPYVWZQNVWHA-LLVKDONJSA-N 0 0 303.366 0.337 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@](O)(CO)C2)s1 ZINC000313652341 416109499 /nfs/dbraw/zinc/10/94/99/416109499.db2.gz SLFPFQKQWLNSOR-GFCCVEGCSA-N 0 0 305.421 0.873 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000357661666 416112679 /nfs/dbraw/zinc/11/26/79/416112679.db2.gz VPTQVKWQIWVXTF-WCQYABFASA-N 0 0 310.398 0.258 10 0 DCAERN Cn1ccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000175825421 416114906 /nfs/dbraw/zinc/11/49/06/416114906.db2.gz RGCIRKXDUYBEDL-NSHDSACASA-N 0 0 303.370 0.944 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H](C)CCc2cccn2C)CCO1 ZINC000176034010 416117932 /nfs/dbraw/zinc/11/79/32/416117932.db2.gz SBJJOABEQHEZCC-TZMCWYRMSA-N 0 0 323.393 0.930 10 0 DCAERN COC[C@H](CO)NC(=O)c1cnc2c(cnn2CC(C)C)c1 ZINC000357715400 416119741 /nfs/dbraw/zinc/11/97/41/416119741.db2.gz ZKDKHPKNKWFAEQ-ZDUSSCGKSA-N 0 0 306.366 0.824 10 0 DCAERN COC(=O)C[C@@H](C)S(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000357712444 416120123 /nfs/dbraw/zinc/12/01/23/416120123.db2.gz AHERLRGZMNBHEO-SSDOTTSWSA-N 0 0 307.397 0.471 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1nc2c(s1)COCC2 ZINC000176237864 416122238 /nfs/dbraw/zinc/12/22/38/416122238.db2.gz NXQWEGRAQCFRNC-UHFFFAOYSA-N 0 0 306.347 0.906 10 0 DCAERN O=S1(=O)CC[C@@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 ZINC000328627068 416123937 /nfs/dbraw/zinc/12/39/37/416123937.db2.gz FTVDMRVTZIQTEH-WDEREUQCSA-N 0 0 312.395 0.667 10 0 DCAERN O=C1C[C@H](Nc2nccc(N[C@@H]3CCCOC3)n2)CN1C1CC1 ZINC000328636645 416124825 /nfs/dbraw/zinc/12/48/25/416124825.db2.gz OEHIVGYAYCLHHX-NEPJUHHUSA-N 0 0 317.393 1.243 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176587067 416129397 /nfs/dbraw/zinc/12/93/97/416129397.db2.gz CRRJWDZLSAUBPQ-RYUDHWBXSA-N 0 0 311.386 0.446 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)Nc1c(C)nn(C)c1C ZINC000357790482 416132917 /nfs/dbraw/zinc/13/29/17/416132917.db2.gz ASEPUIAPNYAYCL-UHFFFAOYSA-N 0 0 317.415 0.488 10 0 DCAERN Cn1ncc(CN2CCN(CC(N)=O)CC2)c1C(F)(F)F ZINC000177000854 416138210 /nfs/dbraw/zinc/13/82/10/416138210.db2.gz YJDZHBMVNKLNPM-UHFFFAOYSA-N 0 0 305.304 0.042 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCCN(c2cccnn2)CC1 ZINC000177199492 416141837 /nfs/dbraw/zinc/14/18/37/416141837.db2.gz LNFNCLFWFIWLQD-UHFFFAOYSA-N 0 0 301.354 0.266 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)CC(C)C)[C@H](C)C1 ZINC000357942930 416157142 /nfs/dbraw/zinc/15/71/42/416157142.db2.gz UXDVLGFGVSRHHK-LLVKDONJSA-N 0 0 304.412 0.136 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](CO)C2CCCC2)C1 ZINC000357860662 416142942 /nfs/dbraw/zinc/14/29/42/416142942.db2.gz IIVBTKBAAGWNHI-CHWSQXEVSA-N 0 0 312.414 0.641 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000177447210 416145502 /nfs/dbraw/zinc/14/55/02/416145502.db2.gz BIXMCHRLRCYWAD-GFCCVEGCSA-N 0 0 319.365 0.444 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)C[C@@H]21 ZINC000329070716 416148291 /nfs/dbraw/zinc/14/82/91/416148291.db2.gz YPNMNZGUCXHMGY-RYUDHWBXSA-N 0 0 322.413 0.970 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CCO1 ZINC000357891482 416149333 /nfs/dbraw/zinc/14/93/33/416149333.db2.gz JIOAWZBXKDDLHV-UHOFOFEASA-N 0 0 318.373 0.832 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000177629180 416149986 /nfs/dbraw/zinc/14/99/86/416149986.db2.gz NMDUKUCODMJJCW-SNVBAGLBSA-N 0 0 317.324 0.795 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1COCCO1)c1cn(-c2ccccc2)nn1 ZINC000177711118 416151409 /nfs/dbraw/zinc/15/14/09/416151409.db2.gz UBQJUOKJUNFUFS-RISCZKNCSA-N 0 0 302.334 0.860 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@H](C)C1 ZINC000357919046 416153697 /nfs/dbraw/zinc/15/36/97/416153697.db2.gz CBJVERFMAUAYFJ-GFCCVEGCSA-N 0 0 324.425 0.698 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@H](O)C(C)C)CC2)n1 ZINC000178644549 416167182 /nfs/dbraw/zinc/16/71/82/416167182.db2.gz XMEBSGCPCNSAAU-ZDUSSCGKSA-N 0 0 322.409 0.835 10 0 DCAERN Cc1cnn(CCNC(=O)NCC2(CS(C)(=O)=O)CC2)c1 ZINC000178704835 416168778 /nfs/dbraw/zinc/16/87/78/416168778.db2.gz GTXZIEMMBGGRIT-UHFFFAOYSA-N 0 0 314.411 0.316 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178702915 416168869 /nfs/dbraw/zinc/16/88/69/416168869.db2.gz DPEXDLHBWJPDSY-NWDGAFQWSA-N 0 0 312.391 0.089 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)CCC1CCCC1)C(C)C ZINC000178681503 416169141 /nfs/dbraw/zinc/16/91/41/416169141.db2.gz VBSGYEBLDNUCLI-OAHLLOKOSA-N 0 0 311.426 0.960 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)C1 ZINC000178677500 416169463 /nfs/dbraw/zinc/16/94/63/416169463.db2.gz ZVYVAHZULDMAKZ-GXTWGEPZSA-N 0 0 311.426 0.912 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cn(Cc2cccs2)nn1)C(C)C ZINC000178718464 416170728 /nfs/dbraw/zinc/17/07/28/416170728.db2.gz XFNVEWWQGORACW-GFCCVEGCSA-N 0 0 321.406 0.888 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@]1(CO)CCOC1 ZINC000182889898 416233176 /nfs/dbraw/zinc/23/31/76/416233176.db2.gz FLFFAKBELQFTKX-INIZCTEOSA-N 0 0 309.410 0.966 10 0 DCAERN CN(CCCO)C(=O)C(=O)N[C@H]1CCCOc2ccccc21 ZINC000358008014 416172009 /nfs/dbraw/zinc/17/20/09/416172009.db2.gz ALCZDVABNVEQSK-ZDUSSCGKSA-N 0 0 306.362 0.857 10 0 DCAERN COc1cc(/C=C/C(=O)NC[C@@H]2CN3CCN2CC3)ccc1F ZINC000178787981 416172334 /nfs/dbraw/zinc/17/23/34/416172334.db2.gz VLPXSQANGYWKKT-LYKUJDHUSA-N 0 0 319.380 0.964 10 0 DCAERN O=C(N[C@H]1CCOC1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178939085 416177794 /nfs/dbraw/zinc/17/77/94/416177794.db2.gz FJYYYYWVYXXELS-JQWIXIFHSA-N 0 0 310.375 0.993 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](CC)N2CCCC2=O)CC1 ZINC000179409962 416186653 /nfs/dbraw/zinc/18/66/53/416186653.db2.gz LWXLWMDFTVXZBU-ZIAGYGMSSA-N 0 0 311.426 0.303 10 0 DCAERN COc1n[nH]c(NC(=O)c2cnc(-c3cnn(C)c3)s2)n1 ZINC000179361659 416186828 /nfs/dbraw/zinc/18/68/28/416186828.db2.gz UEVNDWDTTCOQAX-UHFFFAOYSA-N 0 0 305.323 0.923 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000179677650 416190092 /nfs/dbraw/zinc/19/00/92/416190092.db2.gz RMXYDSPWKHKARO-LLVKDONJSA-N 0 0 309.370 0.040 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)Cn1ncn(C)c1=O ZINC000179710806 416192536 /nfs/dbraw/zinc/19/25/36/416192536.db2.gz PTQJFWXUXUCKEI-UHFFFAOYSA-N 0 0 304.350 0.639 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCC[C@@H]2[C@H](C)O)nn1 ZINC000330177292 416197666 /nfs/dbraw/zinc/19/76/66/416197666.db2.gz KQIRZDIHGSFTRK-IGHBBLSQSA-N 0 0 324.381 0.240 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000181318226 416205722 /nfs/dbraw/zinc/20/57/22/416205722.db2.gz OMPOETHIQJUYJM-KBPBESRZSA-N 0 0 305.378 0.963 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CCOC[C@@H]2CCCO2)cn1 ZINC000181376237 416205755 /nfs/dbraw/zinc/20/57/55/416205755.db2.gz FGBHBGFVXOYFLS-GJZGRUSLSA-N 0 0 322.409 0.479 10 0 DCAERN CCOC(=O)[C@H]1CCCN1Cc1csc(CC(=O)NC)n1 ZINC000182255674 416217934 /nfs/dbraw/zinc/21/79/34/416217934.db2.gz AXMIYAJCLTUSPV-LLVKDONJSA-N 0 0 311.407 0.959 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC[C@H](CO)C1CC1)n1cccn1 ZINC000358302219 416221775 /nfs/dbraw/zinc/22/17/75/416221775.db2.gz JNEYFRKIWDIJKS-DGCLKSJQSA-N 0 0 308.382 0.037 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377169 416221818 /nfs/dbraw/zinc/22/18/18/416221818.db2.gz LLGJPPUFIUYJSC-ZDUSSCGKSA-N 0 0 303.362 0.171 10 0 DCAERN O=C(CCS(=O)(=O)C1CCCC1)NC[C@@H](CO)C1CC1 ZINC000358341281 416225403 /nfs/dbraw/zinc/22/54/03/416225403.db2.gz QOYIAAYIXYZZBC-LBPRGKRZSA-N 0 0 303.424 0.869 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182541908 416226140 /nfs/dbraw/zinc/22/61/40/416226140.db2.gz UQXGVEXGJHNWGA-UONOGXRCSA-N 0 0 320.393 0.893 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)NCCc1cn[nH]c1 ZINC000357947645 416158246 /nfs/dbraw/zinc/15/82/46/416158246.db2.gz HAPRAWROULFSSF-OLZOCXBDSA-N 0 0 312.370 0.072 10 0 DCAERN COCC(=O)N[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C(C)C ZINC000178298860 416160251 /nfs/dbraw/zinc/16/02/51/416160251.db2.gz DZAZJPGPCXOLLL-KBMXLJTQSA-N 0 0 320.389 0.548 10 0 DCAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc2c(c1)C(=O)NC2=O ZINC000178298611 416160911 /nfs/dbraw/zinc/16/09/11/416160911.db2.gz XNLIYFNOOBZAMO-CABCVRRESA-N 0 0 322.320 0.958 10 0 DCAERN O=C(Cc1cnn(-c2ccccc2)c1)N[C@H]1CCC(=O)NC1=O ZINC000178562644 416165959 /nfs/dbraw/zinc/16/59/59/416165959.db2.gz QZZOQFPADAPPTG-ZDUSSCGKSA-N 0 0 312.329 0.336 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)Cc3ccn(C)n3)CC2)no1 ZINC000183489980 416242211 /nfs/dbraw/zinc/24/22/11/416242211.db2.gz ONCGZKKFMIWBRP-UHFFFAOYSA-N 0 0 318.381 0.389 10 0 DCAERN O=C(Nc1ccn(CC(F)(F)F)n1)N1CC(n2ccnn2)C1 ZINC000358493417 416244224 /nfs/dbraw/zinc/24/42/24/416244224.db2.gz DJGHKGPZQUYKOX-UHFFFAOYSA-N 0 0 315.259 1.126 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc3nnn(C)c3c1)CC2 ZINC000183678048 416247839 /nfs/dbraw/zinc/24/78/39/416247839.db2.gz CGFBHSJGPNGMMO-NSHDSACASA-N 0 0 311.349 0.613 10 0 DCAERN CCN(CC(=O)NC(C)C)C(=O)Cn1cnc(C)c(C)c1=O ZINC000358515484 416248051 /nfs/dbraw/zinc/24/80/51/416248051.db2.gz XGWFMCRCHIETNY-UHFFFAOYSA-N 0 0 308.382 0.233 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000183731901 416248504 /nfs/dbraw/zinc/24/85/04/416248504.db2.gz YQLKHRDNJNEFRO-GFCCVEGCSA-N 0 0 309.341 0.710 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCC(F)(F)CO)no2)c1 ZINC000183856735 416250538 /nfs/dbraw/zinc/25/05/38/416250538.db2.gz RLRCTLQPCHHDNR-UHFFFAOYSA-N 0 0 300.265 0.585 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000187187965 416260757 /nfs/dbraw/zinc/26/07/57/416260757.db2.gz XSAHCFBMDCMAOJ-IUODEOHRSA-N 0 0 307.398 0.787 10 0 DCAERN C[C@H]1CN(C(=O)c2cncc(Cl)n2)C[C@@H]1N1CCOCC1 ZINC000189452288 416267068 /nfs/dbraw/zinc/26/70/68/416267068.db2.gz WXARDFDADYXXNC-JQWIXIFHSA-N 0 0 310.785 0.923 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000190240122 416276305 /nfs/dbraw/zinc/27/63/05/416276305.db2.gz BWMITJUWSNQABP-SMSPXONGSA-N 0 0 315.439 0.596 10 0 DCAERN CCCCC[N@@H+](CC(N)=O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000183039090 416235305 /nfs/dbraw/zinc/23/53/05/416235305.db2.gz ATBLPPFNECMTKW-ZDUSSCGKSA-N 0 0 319.471 0.636 10 0 DCAERN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCCN1 ZINC000182996078 416235415 /nfs/dbraw/zinc/23/54/15/416235415.db2.gz YXYOIVRJDZOSCL-MRXNPFEDSA-N 0 0 314.345 0.117 10 0 DCAERN Cc1cnn(CCNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)c1 ZINC000192217934 416302159 /nfs/dbraw/zinc/30/21/59/416302159.db2.gz FYOMSQBLQPDIGB-GFCCVEGCSA-N 0 0 315.381 0.884 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCSC[C@@H](C)C2)cn1 ZINC000192246644 416304331 /nfs/dbraw/zinc/30/43/31/416304331.db2.gz VUKDCFLOERMOOD-JTQLQIEISA-N 0 0 311.411 0.846 10 0 DCAERN COC[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)CCO1 ZINC000193026855 416313561 /nfs/dbraw/zinc/31/35/61/416313561.db2.gz XWKNLYLKFTUBHM-ZDUSSCGKSA-N 0 0 317.345 0.980 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1nc(C)c(C)s1)C(C)C ZINC000193201686 416314993 /nfs/dbraw/zinc/31/49/93/416314993.db2.gz IXJUEOJIDQSGDU-VIFPVBQESA-N 0 0 312.395 0.585 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000193811132 416320311 /nfs/dbraw/zinc/32/03/11/416320311.db2.gz FWJKHJMDCLAEHD-CMPLNLGQSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)[C@@H]1CO ZINC000190598660 416280436 /nfs/dbraw/zinc/28/04/36/416280436.db2.gz LWTOAWWLIVCJAM-YWPUVAFDSA-N 0 0 318.439 0.755 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000331196745 416283870 /nfs/dbraw/zinc/28/38/70/416283870.db2.gz YSECCBBXYFHZHW-OAHLLOKOSA-N 0 0 324.402 0.976 10 0 DCAERN COC(=O)[C@H](NCCNS(=O)(=O)c1cccs1)C1CC1 ZINC000358848012 416284268 /nfs/dbraw/zinc/28/42/68/416284268.db2.gz JYUJFWZFFCLMBI-LLVKDONJSA-N 0 0 318.420 0.568 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)COCCCOC)CCO2)cn1 ZINC000191766453 416288645 /nfs/dbraw/zinc/28/86/45/416288645.db2.gz KCPYMEAUEAZZAW-AWEZNQCLSA-N 0 0 311.382 0.856 10 0 DCAERN CN(C(=O)C(=O)NCC1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000191842194 416290857 /nfs/dbraw/zinc/29/08/57/416290857.db2.gz WJIZLAZKRJXQQS-CQSZACIVSA-N 0 0 315.373 0.777 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000358938394 416295301 /nfs/dbraw/zinc/29/53/01/416295301.db2.gz LOCDQXMHTCSVJO-LLVKDONJSA-N 0 0 306.366 0.558 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192027346 416297454 /nfs/dbraw/zinc/29/74/54/416297454.db2.gz KSUZHGCTYAJJRE-NXEZZACHSA-N 0 0 315.399 0.138 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NCc1ccc2cc[nH]c2n1 ZINC000359433652 416345512 /nfs/dbraw/zinc/34/55/12/416345512.db2.gz WBJXHGWTUIICSP-UHFFFAOYSA-N 0 0 324.406 0.851 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C[C@@H]1O ZINC000359431097 416345608 /nfs/dbraw/zinc/34/56/08/416345608.db2.gz WRDGOBLFUOFQFM-GWCFXTLKSA-N 0 0 304.346 0.789 10 0 DCAERN CC(=O)CCCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000359549723 416350263 /nfs/dbraw/zinc/35/02/63/416350263.db2.gz KALNSZOPRLYDKK-UHFFFAOYSA-N 0 0 319.427 0.086 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCOC1 ZINC000194431156 416323214 /nfs/dbraw/zinc/32/32/14/416323214.db2.gz NPYLBYSDSRZSDP-KBPBESRZSA-N 0 0 305.378 0.809 10 0 DCAERN Cn1cc(NC(=O)NCCNC(=O)c2ccco2)ccc1=O ZINC000194763770 416324558 /nfs/dbraw/zinc/32/45/58/416324558.db2.gz NHBQLWXGEXXSLA-UHFFFAOYSA-N 0 0 304.306 0.530 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000195150513 416325514 /nfs/dbraw/zinc/32/55/14/416325514.db2.gz FTZCIGDGSKRCKE-XHDPSFHLSA-N 0 0 317.389 0.674 10 0 DCAERN O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc3nnnn3n2)C1 ZINC000225513757 416327800 /nfs/dbraw/zinc/32/78/00/416327800.db2.gz JBCNVBOMLKTLKB-NEPJUHHUSA-N 0 0 300.297 0.971 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246561846 416332033 /nfs/dbraw/zinc/33/20/33/416332033.db2.gz DNNHTISAHJRIGC-FZMZJTMJSA-N 0 0 324.352 0.877 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NCc1cccc(N2CCOCC2)n1 ZINC000360047374 416368061 /nfs/dbraw/zinc/36/80/61/416368061.db2.gz VDIQMWUJSVFNIW-LBPRGKRZSA-N 0 0 313.423 0.441 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000360183212 416378023 /nfs/dbraw/zinc/37/80/23/416378023.db2.gz ZAVNUMXLJFNISN-MGPLVRAMSA-N 0 0 323.393 0.678 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000360188924 416378331 /nfs/dbraw/zinc/37/83/31/416378331.db2.gz IWWJSJCURGFRLT-UHTWSYAYSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2=O)nc1 ZINC000360435755 416389625 /nfs/dbraw/zinc/38/96/25/416389625.db2.gz HXBFKAXJNPKDJX-AWEZNQCLSA-N 0 0 319.409 0.520 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1=O)C(=O)NCc1ccco1 ZINC000360418219 416389717 /nfs/dbraw/zinc/38/97/17/416389717.db2.gz XPQNIGHGPZKWIM-PWSUYJOCSA-N 0 0 322.365 0.204 10 0 DCAERN C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CC(=O)N(C)C1 ZINC000360469307 416391779 /nfs/dbraw/zinc/39/17/79/416391779.db2.gz OEJKVGQDBLWPRW-SNVBAGLBSA-N 0 0 311.332 0.744 10 0 DCAERN COC(=O)[C@H](c1cc(OC)cc(OC)c1)N1CC(=O)N(C)C1 ZINC000360466948 416392049 /nfs/dbraw/zinc/39/20/49/416392049.db2.gz IOSWETTXCHSYBV-AWEZNQCLSA-N 0 0 308.334 0.649 10 0 DCAERN CNC(=O)NCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360564961 416396554 /nfs/dbraw/zinc/39/65/54/416396554.db2.gz XUSYYEIVRCYTSX-CYBMUJFWSA-N 0 0 307.350 0.222 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCC23CCC3)cn1 ZINC000360747876 416407419 /nfs/dbraw/zinc/40/74/19/416407419.db2.gz PPHFLNAIBPMEJY-UHFFFAOYSA-N 0 0 316.361 0.811 10 0 DCAERN C[C@@H](CNC(=O)C(=O)c1ccc2c(c1)CCC2)S(C)(=O)=O ZINC000533145473 416478938 /nfs/dbraw/zinc/47/89/38/416478938.db2.gz YMVXAMZROQHQGD-JTQLQIEISA-N 0 0 309.387 0.907 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]2CCCO2)C1 ZINC000583623789 416479743 /nfs/dbraw/zinc/47/97/43/416479743.db2.gz DTWHMXLYRZTJEH-LSDHHAIUSA-N 0 0 311.426 0.918 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619546 416479892 /nfs/dbraw/zinc/47/98/92/416479892.db2.gz MNPXXWYXSJVRBE-HIFRSBDPSA-N 0 0 313.361 0.825 10 0 DCAERN CC(=O)Nc1ccn([C@@H]2CCN(c3ccnc(C(N)=O)c3)C2)n1 ZINC000583623198 416479921 /nfs/dbraw/zinc/47/99/21/416479921.db2.gz WZQQDLXFSFAPQS-GFCCVEGCSA-N 0 0 314.349 0.787 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Cn2cccc(C)c2=O)C1 ZINC000583619656 416480947 /nfs/dbraw/zinc/48/09/47/416480947.db2.gz ZAWBRSHICMWMKO-NEPJUHHUSA-N 0 0 317.349 0.263 10 0 DCAERN O=C(CNC(=O)C(=O)c1ccc2c(c1)CCC2)NCC(F)F ZINC000361362410 416432066 /nfs/dbraw/zinc/43/20/66/416432066.db2.gz SHPWZWPMXZNFNF-UHFFFAOYSA-N 0 0 310.300 0.856 10 0 DCAERN COc1ccc(OC)c(CN2CC(OCC(=O)N(C)C)C2)c1 ZINC000361371174 416432603 /nfs/dbraw/zinc/43/26/03/416432603.db2.gz WUQUQMFJBULTPA-UHFFFAOYSA-N 0 0 308.378 0.993 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000361944062 416528952 /nfs/dbraw/zinc/52/89/52/416528952.db2.gz GHEZWCSLSQCAQD-WDEREUQCSA-N 0 0 324.381 0.090 10 0 DCAERN CCOc1cc(F)ccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459370212 416536494 /nfs/dbraw/zinc/53/64/94/416536494.db2.gz XIGNOCFHDZUKSM-LLVKDONJSA-N 0 0 323.328 0.999 10 0 DCAERN C[C@H](C(=O)NC(N)=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000361987630 416540226 /nfs/dbraw/zinc/54/02/26/416540226.db2.gz UBKGXFRKVSNERR-DGCLKSJQSA-N 0 0 307.350 0.350 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Cc2ccn(-c3ccccc3)n2)C1 ZINC000536526493 416540680 /nfs/dbraw/zinc/54/06/80/416540680.db2.gz FZKJZDTXEZASPE-ZDUSSCGKSA-N 0 0 313.361 0.684 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CCNC(=O)C3)sc2C1 ZINC000434760499 416496566 /nfs/dbraw/zinc/49/65/66/416496566.db2.gz ZRKPPOAQRJWYQZ-QMMMGPOBSA-N 0 0 322.390 0.165 10 0 DCAERN CC(=O)[C@@H](C)SCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000434834313 416497886 /nfs/dbraw/zinc/49/78/86/416497886.db2.gz POLCZSPRGICSGH-LLVKDONJSA-N 0 0 302.396 0.014 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NC[C@H](O)C(F)F)cn1 ZINC000361850556 416508485 /nfs/dbraw/zinc/50/84/85/416508485.db2.gz RJPDTDRKBGHAQY-APPZFPTMSA-N 0 0 316.308 0.671 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)Nc1cn(C)nc1C(C)C ZINC000435187847 416511882 /nfs/dbraw/zinc/51/18/82/416511882.db2.gz KRFZMQHXEBSBRQ-AWEZNQCLSA-N 0 0 312.370 0.979 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2cn(C)nc2C(C)C)CCO1 ZINC000435194904 416513255 /nfs/dbraw/zinc/51/32/55/416513255.db2.gz BWSAPKFUAUPBSN-NSHDSACASA-N 0 0 309.370 0.522 10 0 DCAERN COCC(COC)NC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC000459013960 416517506 /nfs/dbraw/zinc/51/75/06/416517506.db2.gz FFZOKXLQJJDWBP-UHFFFAOYSA-N 0 0 323.397 0.278 10 0 DCAERN Cc1c(CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)cnn1C ZINC000361894667 416518990 /nfs/dbraw/zinc/51/89/90/416518990.db2.gz XQJCXKVSPZPSQB-UHFFFAOYSA-N 0 0 318.381 0.840 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCOCC[C@H]2C)n1 ZINC000364771179 416594458 /nfs/dbraw/zinc/59/44/58/416594458.db2.gz MWXQGFTXFGJZDI-NEPJUHHUSA-N 0 0 324.381 0.666 10 0 DCAERN CC(C)c1cc(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)no1 ZINC000547944467 416683491 /nfs/dbraw/zinc/68/34/91/416683491.db2.gz MBWWSNRACSUVLM-LBPRGKRZSA-N 0 0 307.350 1.374 10 0 DCAERN COC(=O)CC1(CN2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000440493863 416636970 /nfs/dbraw/zinc/63/69/70/416636970.db2.gz YMJCNKVSJMITTL-UHFFFAOYSA-N 0 0 312.410 0.899 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@](C)(O)C2CC2)[C@@H]1c1cccnc1 ZINC000608472290 416650923 /nfs/dbraw/zinc/65/09/23/416650923.db2.gz NXKYMBYTLIWBGF-QRTARXTBSA-N 0 0 317.389 0.878 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H](C)CN2CCOCC2)n1 ZINC000441233742 416666307 /nfs/dbraw/zinc/66/63/07/416666307.db2.gz NKEQGRYIASOEDI-ZDUSSCGKSA-N 0 0 322.409 0.653 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@H](NC(N)=O)C2)CCO[C@@H]1C1CC1 ZINC000545243353 416669344 /nfs/dbraw/zinc/66/93/44/416669344.db2.gz RHYHSYBIFUYBJH-YWPYICTPSA-N 0 0 310.398 0.644 10 0 DCAERN COc1ccc(NC(=O)C(=O)N(C)Cc2noc(C)n2)cc1 ZINC000442397713 416693559 /nfs/dbraw/zinc/69/35/59/416693559.db2.gz PRROTNJDGLQLBB-UHFFFAOYSA-N 0 0 304.306 0.984 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000442481333 416694514 /nfs/dbraw/zinc/69/45/14/416694514.db2.gz RFLVCDVZMZTIFH-LNLATYFQSA-N 0 0 323.315 0.610 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000368821933 416695627 /nfs/dbraw/zinc/69/56/27/416695627.db2.gz JGGWOHMUQMRCPR-HNNXBMFYSA-N 0 0 323.824 0.973 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCNc1cnccn1 ZINC000554748147 416709709 /nfs/dbraw/zinc/70/97/09/416709709.db2.gz VZJBMSFPTBJPNU-GFCCVEGCSA-N 0 0 315.381 0.999 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Cn2cc(C(=O)OC)nn2)no1 ZINC000443371941 416754734 /nfs/dbraw/zinc/75/47/34/416754734.db2.gz TYOFHBDQHWOWOP-UHFFFAOYSA-N 0 0 322.325 0.062 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N(CC)[C@H]2CCNC2=O)s1 ZINC000443240493 416739939 /nfs/dbraw/zinc/73/99/39/416739939.db2.gz FMERJUAWQZPENE-VIFPVBQESA-N 0 0 324.406 0.689 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1nnc2ccccn21)[C@@H](C)CO ZINC000443537616 416766310 /nfs/dbraw/zinc/76/63/10/416766310.db2.gz DFFZBIFCSFPCMU-WDEREUQCSA-N 0 0 307.354 0.003 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000369390098 416769309 /nfs/dbraw/zinc/76/93/09/416769309.db2.gz WKWVKCWCPFROHJ-KBPBESRZSA-N 0 0 324.425 0.112 10 0 DCAERN COCCc1ccnc(NC(=O)N(C)Cc2nnnn2C)c1 ZINC000558476994 416773540 /nfs/dbraw/zinc/77/35/40/416773540.db2.gz LQBFEPRZQNTOSM-UHFFFAOYSA-N 0 0 305.342 0.458 10 0 DCAERN Cc1cc(CNC(=O)Cc2cnnn2C)nc(N2CCCC2)n1 ZINC000615198523 416783087 /nfs/dbraw/zinc/78/30/87/416783087.db2.gz FGRSLOMTFUVWTJ-UHFFFAOYSA-N 0 0 315.381 0.373 10 0 DCAERN Cn1nnc2c1nccc2C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000559051923 416801574 /nfs/dbraw/zinc/80/15/74/416801574.db2.gz OCELGKZJGQHSOH-SNVBAGLBSA-N 0 0 313.321 1.190 10 0 DCAERN Cn1ccc([C@H](NCc2nnn(C)n2)c2ccc(F)cc2)n1 ZINC000518045309 416838659 /nfs/dbraw/zinc/83/86/59/416838659.db2.gz SSCRORXHLPAYKS-CQSZACIVSA-N 0 0 301.329 0.962 10 0 DCAERN Nc1ccnc(CN2CCC[C@@H]2C(=O)N2CCSCC2)n1 ZINC000370487002 416896593 /nfs/dbraw/zinc/89/65/93/416896593.db2.gz DAWMDBNKXJIGFY-LLVKDONJSA-N 0 0 307.423 0.599 10 0 DCAERN CNc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)no2)cn1 ZINC000370576333 416896602 /nfs/dbraw/zinc/89/66/02/416896602.db2.gz RLBAHVCMOTVGJE-NSHDSACASA-N 0 0 316.365 1.550 10 0 DCAERN Cc1nnc(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)o1 ZINC000370640319 416900943 /nfs/dbraw/zinc/90/09/43/416900943.db2.gz PVKGGDHWFSNYLF-GFCCVEGCSA-N 0 0 302.334 1.470 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000445873865 416902422 /nfs/dbraw/zinc/90/24/22/416902422.db2.gz DDRSKZWWCOWEEI-KXMPLOMGSA-N 0 0 309.347 0.725 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCC3)n1 ZINC000519517796 416907541 /nfs/dbraw/zinc/90/75/41/416907541.db2.gz FOPNXEGKVOTAFM-UHFFFAOYSA-N 0 0 305.363 0.620 10 0 DCAERN CNc1ncc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)s1 ZINC000371519464 416917047 /nfs/dbraw/zinc/91/70/47/416917047.db2.gz LTMUTQGAERCAMR-SECBINFHSA-N 0 0 313.379 0.837 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@@H]2CCc3nnnn3CC2)s1 ZINC000565070942 416921115 /nfs/dbraw/zinc/92/11/15/416921115.db2.gz UOQTYYFTSGLZOV-MRVPVSSYSA-N 0 0 306.351 0.923 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000376159471 417021445 /nfs/dbraw/zinc/02/14/45/417021445.db2.gz VXTMIVOSQMCVJU-LOWDOPEQSA-N 0 0 309.362 0.782 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCOCC[C@H]2C)CC1 ZINC000374991448 416994334 /nfs/dbraw/zinc/99/43/34/416994334.db2.gz RBRDAZHWWYAAEB-LLVKDONJSA-N 0 0 320.411 0.227 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000632373822 417051063 /nfs/dbraw/zinc/05/10/63/417051063.db2.gz GUGDRMMWBKQIIX-IHRRRGAJSA-N 0 0 308.378 0.594 10 0 DCAERN CNC(=O)C1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1 ZINC000448146474 417060348 /nfs/dbraw/zinc/06/03/48/417060348.db2.gz HPZJFKSLMGTIQE-UHFFFAOYSA-N 0 0 303.366 1.344 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)c1cncc2ncn(C)c21 ZINC000632393058 417062291 /nfs/dbraw/zinc/06/22/91/417062291.db2.gz FKXLIZZRBKHNPL-LLVKDONJSA-N 0 0 302.334 0.788 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc[nH]n2)CC1 ZINC000616596152 417082971 /nfs/dbraw/zinc/08/29/71/417082971.db2.gz ZALWGZOBFYWOTD-LBPRGKRZSA-N 0 0 308.363 0.957 10 0 DCAERN Nc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)n1 ZINC000616601505 417083264 /nfs/dbraw/zinc/08/32/64/417083264.db2.gz HEAHKKVWTBCQGH-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1cccc2nnccc21 ZINC000616596782 417085611 /nfs/dbraw/zinc/08/56/11/417085611.db2.gz HDDULWJHQZKCHC-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CS(=O)(=O)[C@H]1COCCN1S(=O)(=O)c1ccccc1 ZINC000616640877 417086216 /nfs/dbraw/zinc/08/62/16/417086216.db2.gz AZDYAYIXTUTBFR-NSHDSACASA-N 0 0 305.377 0.078 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H]1S(C)(=O)=O ZINC000616641068 417086235 /nfs/dbraw/zinc/08/62/35/417086235.db2.gz UNAXOYOVUAXACS-SNVBAGLBSA-N 0 0 308.400 0.214 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1ccccc1CCO ZINC000616648486 417088561 /nfs/dbraw/zinc/08/85/61/417088561.db2.gz MYIINSBEWHSYDR-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1COCCCN1S(N)(=O)=O ZINC000616648385 417088725 /nfs/dbraw/zinc/08/87/25/417088725.db2.gz MLCDDVUAJMPYCN-JTQLQIEISA-N 0 0 323.415 0.196 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2c[nH]nn2)C1 ZINC000616662764 417091079 /nfs/dbraw/zinc/09/10/79/417091079.db2.gz FKCOCIGAEMGXCB-NSHDSACASA-N 0 0 311.386 0.745 10 0 DCAERN Nc1ncccc1[C@@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616680699 417093406 /nfs/dbraw/zinc/09/34/06/417093406.db2.gz ONGOLOLZTFGXTI-NSHDSACASA-N 0 0 305.363 0.841 10 0 DCAERN O=C(c1nscc1Br)N1C[C@H](CO)[C@H](O)C1 ZINC000404883126 417122019 /nfs/dbraw/zinc/12/20/19/417122019.db2.gz CLEOQJSMULXWBW-IYSWYEEDSA-N 0 0 307.169 0.331 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC(=O)N1C ZINC000407969451 417129922 /nfs/dbraw/zinc/12/99/22/417129922.db2.gz XAMTVMSJLYVKDM-ZETCQYMHSA-N 0 0 317.271 1.190 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)C(C)(C)C(C)C)CC1 ZINC000431656697 287353316 /nfs/dbraw/zinc/35/33/16/287353316.db2.gz BJNGDTVWZSGUNZ-UHFFFAOYSA-N 0 0 318.439 0.527 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)C1=O ZINC000407985811 417130455 /nfs/dbraw/zinc/13/04/55/417130455.db2.gz PYEDPKIBLXUSPM-MNOVXSKESA-N 0 0 310.398 0.352 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCC(C)CC1 ZINC000408206220 417149421 /nfs/dbraw/zinc/14/94/21/417149421.db2.gz NGRGLQXPAXHZJE-SNVBAGLBSA-N 0 0 308.425 0.511 10 0 DCAERN CCc1ccnc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 ZINC000437738281 287363194 /nfs/dbraw/zinc/36/31/94/287363194.db2.gz RJTCKVBICRJOBT-KRWDZBQOSA-N 0 0 315.373 0.873 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cccc3ncnn32)[C@@H](C)C1 ZINC000526011553 417172009 /nfs/dbraw/zinc/17/20/09/417172009.db2.gz GBQOVUDITSGHGU-NWDGAFQWSA-N 0 0 303.366 0.256 10 0 DCAERN Cc1nn(C)cc1CC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000449816890 417177613 /nfs/dbraw/zinc/17/76/13/417177613.db2.gz BLIZHTCMPQGDRC-AWEZNQCLSA-N 0 0 321.352 0.966 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H](Cn2ccnn2)C1)C1CCCC1 ZINC000617265912 417192364 /nfs/dbraw/zinc/19/23/64/417192364.db2.gz IKMLIGDUJRODEX-ZFWWWQNUSA-N 0 0 319.409 0.822 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000617299382 417197010 /nfs/dbraw/zinc/19/70/10/417197010.db2.gz HNSNXPLQPLBJFS-NWDGAFQWSA-N 0 0 304.412 0.078 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)NC[C@@H](C)N2CCCCC2=O)C1 ZINC000527257680 417228602 /nfs/dbraw/zinc/22/86/02/417228602.db2.gz HOFOPEPFJVGTGG-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN COc1cncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1C ZINC000632865487 417283664 /nfs/dbraw/zinc/28/36/64/417283664.db2.gz KIRPDCMGLULJFJ-NSHDSACASA-N 0 0 316.365 0.917 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000527500377 417244250 /nfs/dbraw/zinc/24/42/50/417244250.db2.gz RLDYOOUIXXSWOS-GFCCVEGCSA-N 0 0 322.365 0.839 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cncn2)cn1 ZINC000632748560 417249337 /nfs/dbraw/zinc/24/93/37/417249337.db2.gz HHQGGDSWQHXYDV-GFCCVEGCSA-N 0 0 300.322 0.612 10 0 DCAERN Cc1csc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000451525941 417357843 /nfs/dbraw/zinc/35/78/43/417357843.db2.gz BPFNERJNCYWHEZ-SCZZXKLOSA-N 0 0 304.393 0.320 10 0 DCAERN CCc1nnc2n1C[C@H](NC(=O)c1cc(F)c[nH]c1=O)CC2 ZINC000621817636 417301594 /nfs/dbraw/zinc/30/15/94/417301594.db2.gz CSBOFKGFUUIWMG-SECBINFHSA-N 0 0 305.313 0.825 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCSC[C@@H]1CCO ZINC000451348228 417333999 /nfs/dbraw/zinc/33/39/99/417333999.db2.gz VLLJTDXKFJPEHD-RYUDHWBXSA-N 0 0 311.469 0.789 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000633171292 417383457 /nfs/dbraw/zinc/38/34/57/417383457.db2.gz HDINEHNXRNDPAQ-TUKIKUTGSA-N 0 0 317.389 0.771 10 0 DCAERN CCN(C)C(=O)[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(C)C ZINC000451733028 417386828 /nfs/dbraw/zinc/38/68/28/417386828.db2.gz HWDXIXJBOONGFC-RYUDHWBXSA-N 0 0 305.444 0.808 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c1C ZINC000528634665 417369940 /nfs/dbraw/zinc/36/99/40/417369940.db2.gz NERHXIFHWHRXMV-WCQGTBRESA-N 0 0 321.377 0.326 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC000627719732 417491823 /nfs/dbraw/zinc/49/18/23/417491823.db2.gz BLQYUWQOCBZYLR-NWDGAFQWSA-N 0 0 311.426 0.957 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](O)C2)CC12COC2 ZINC000452612580 417492458 /nfs/dbraw/zinc/49/24/58/417492458.db2.gz LANXUGOWYTWYET-AGIUHOORSA-N 0 0 311.378 0.576 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ncccc2F)CC12COC2 ZINC000452614348 417492811 /nfs/dbraw/zinc/49/28/11/417492811.db2.gz PNDUZDVSZQFCJA-NSHDSACASA-N 0 0 322.336 0.801 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC000633465837 417434435 /nfs/dbraw/zinc/43/44/35/417434435.db2.gz RQXXFSXLUXFMEX-SWLSCSKDSA-N 0 0 317.345 0.861 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)C(=O)C2CN(CC(F)F)C2)C1 ZINC000622462638 417448521 /nfs/dbraw/zinc/44/85/21/417448521.db2.gz BYNIBBZLSFQCFB-NSHDSACASA-N 0 0 303.353 0.510 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000633586935 417459654 /nfs/dbraw/zinc/45/96/54/417459654.db2.gz YNGCBRHBHXVSRG-GUIRCDHDSA-N 0 0 311.426 0.611 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CC12COC2 ZINC000452226360 417460155 /nfs/dbraw/zinc/46/01/55/417460155.db2.gz JUNITPGAYZRGIV-NSHDSACASA-N 0 0 319.361 0.550 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C(C)=O)c[nH]2)CC12COC2 ZINC000452229376 417460761 /nfs/dbraw/zinc/46/07/61/417460761.db2.gz PMLWHIDPYXUMMH-LBPRGKRZSA-N 0 0 320.345 0.869 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)CC12COC2 ZINC000452264980 417464686 /nfs/dbraw/zinc/46/46/86/417464686.db2.gz PJXMWQXRJYSUMX-WFASDCNBSA-N 0 0 311.378 0.576 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1CSC1 ZINC000627670773 417486028 /nfs/dbraw/zinc/48/60/28/417486028.db2.gz MYFJVEPUGNKZEG-UHFFFAOYSA-N 0 0 315.439 0.275 10 0 DCAERN CC(C)OC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000454024864 417544211 /nfs/dbraw/zinc/54/42/11/417544211.db2.gz PNTSOWSOWKNOPT-JTQLQIEISA-N 0 0 322.365 0.542 10 0 DCAERN COCCN(CCO)C(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000439355418 287386728 /nfs/dbraw/zinc/38/67/28/287386728.db2.gz SDCTXOXELMJCGC-UHFFFAOYSA-N 0 0 323.393 0.467 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633879019 417507353 /nfs/dbraw/zinc/50/73/53/417507353.db2.gz ULOJAXYQIIJIIC-HOTGVXAUSA-N 0 0 308.378 0.893 10 0 DCAERN C(C1CC1)n1c([C@@H]2COCCO2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635153900 417591952 /nfs/dbraw/zinc/59/19/52/417591952.db2.gz JGYICSKHUXNWPY-MJBXVCDLSA-N 0 0 320.393 0.859 10 0 DCAERN C[C@H](Cc1cnn(C)c1)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000455126651 417594245 /nfs/dbraw/zinc/59/42/45/417594245.db2.gz FARSZFMTTVOBHP-SNVBAGLBSA-N 0 0 305.386 1.519 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2nc(CC)no2)CC12COC2 ZINC000455575319 417610052 /nfs/dbraw/zinc/61/00/52/417610052.db2.gz BFSWFCKMBCEOLX-SECBINFHSA-N 0 0 324.337 0.097 10 0 DCAERN C[C@]1(CNC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC(=O)N1 ZINC000455643568 417613818 /nfs/dbraw/zinc/61/38/18/417613818.db2.gz YZHGSWHGUMCUQR-VXGBXAGGSA-N 0 0 323.315 0.754 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H](CC)COC)CC12COC2 ZINC000454554581 417568031 /nfs/dbraw/zinc/56/80/31/417568031.db2.gz YNOXWWDIUMAMBU-VXGBXAGGSA-N 0 0 314.382 0.633 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000530358857 417572247 /nfs/dbraw/zinc/57/22/47/417572247.db2.gz QZWJMMVYYIZMPP-CHWSQXEVSA-N 0 0 307.398 0.804 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000530460679 417576328 /nfs/dbraw/zinc/57/63/28/417576328.db2.gz VEQSIBNNUIBQKI-VXGBXAGGSA-N 0 0 304.412 0.678 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)[C@@H]1CCOC1 ZINC000440191794 287394063 /nfs/dbraw/zinc/39/40/63/287394063.db2.gz RWMSZWOYEOFTKY-WDEREUQCSA-N 0 0 306.366 0.627 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)C[C@H]1O ZINC000456363207 417643914 /nfs/dbraw/zinc/64/39/14/417643914.db2.gz FEDUGFKNRGYGOW-ZIAGYGMSSA-N 0 0 302.334 0.163 10 0 DCAERN COc1nsc(CN[C@@H]2CCNC2=O)c1Br ZINC000639302130 417654974 /nfs/dbraw/zinc/65/49/74/417654974.db2.gz CJRKLSAHLQURFJ-RXMQYKEDSA-N 0 0 306.185 0.892 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000532085116 417657305 /nfs/dbraw/zinc/65/73/05/417657305.db2.gz NIPPXWLNCZIKHJ-UHFFFAOYSA-N 0 0 324.414 0.701 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCOC[C@@H]1O ZINC000629226682 417761095 /nfs/dbraw/zinc/76/10/95/417761095.db2.gz MJTJZACXZPNVLA-RYUDHWBXSA-N 0 0 304.350 0.534 10 0 DCAERN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458136219 417723151 /nfs/dbraw/zinc/72/31/51/417723151.db2.gz KVXHAOUKWDEHPD-ZIAGYGMSSA-N 0 0 318.377 0.921 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458121555 417723243 /nfs/dbraw/zinc/72/32/43/417723243.db2.gz FZWMPXUGPQNMBB-QWHCGFSZSA-N 0 0 304.350 0.531 10 0 DCAERN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458124832 417724021 /nfs/dbraw/zinc/72/40/21/417724021.db2.gz AQLXBABGADLLAE-UKRRQHHQSA-N 0 0 318.377 0.921 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C1(Cc2ccccc2F)CC1 ZINC000458149940 417725107 /nfs/dbraw/zinc/72/51/07/417725107.db2.gz VDPNWWKTAFIUCK-ZDUSSCGKSA-N 0 0 318.352 0.917 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@@H](C)CO1 ZINC000582160210 417733138 /nfs/dbraw/zinc/73/31/38/417733138.db2.gz CDKODCQAMHYZKA-QWRGUYRKSA-N 0 0 302.334 0.909 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000628955190 417735296 /nfs/dbraw/zinc/73/52/96/417735296.db2.gz LLBXGWAZEPPBMZ-ZDUSSCGKSA-N 0 0 303.362 0.844 10 0 DCAERN C[C@@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ncn(C)n1 ZINC000444435070 287424696 /nfs/dbraw/zinc/42/46/96/287424696.db2.gz SUIRHUWKLRTXOH-SECBINFHSA-N 0 0 304.354 0.827 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1S(C)(=O)=O ZINC000664266786 418107057 /nfs/dbraw/zinc/10/70/57/418107057.db2.gz FPQSOLBHCPCKIN-MNOVXSKESA-N 0 0 319.404 0.314 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000664267857 418107061 /nfs/dbraw/zinc/10/70/61/418107061.db2.gz FAGTZFXFUSMIAY-DTWKUNHWSA-N 0 0 308.306 0.907 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000664270746 418107501 /nfs/dbraw/zinc/10/75/01/418107501.db2.gz SYFMDSQLFSRXNY-RQJHMYQMSA-N 0 0 311.285 0.719 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000664270743 418107584 /nfs/dbraw/zinc/10/75/84/418107584.db2.gz SYFMDSQLFSRXNY-BQBZGAKWSA-N 0 0 311.285 0.719 10 0 DCAERN C[C@H](O)CCN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000450234854 287441885 /nfs/dbraw/zinc/44/18/85/287441885.db2.gz VHPQWEUFBUOWIL-XJKSGUPXSA-N 0 0 320.389 0.884 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2nccn2CC)CC12COC2 ZINC000452613996 287482692 /nfs/dbraw/zinc/48/26/92/287482692.db2.gz ORVHNONWIAZUFU-LLVKDONJSA-N 0 0 307.350 0.555 10 0 DCAERN CC(C)OC(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000454335140 287494524 /nfs/dbraw/zinc/49/45/24/287494524.db2.gz XTOJNNCTIRINSO-VIFPVBQESA-N 0 0 303.318 0.993 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)C[C@H](C)CC ZINC000487335640 287534856 /nfs/dbraw/zinc/53/48/56/287534856.db2.gz KCIWGHUHZWNJJK-MXWKQRLJSA-N 0 0 322.427 0.408 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2CCC(O)CC2)C[C@H](C)O1 ZINC000227647487 545944901 /nfs/dbraw/zinc/94/49/01/545944901.db2.gz RFFZQDMVDJNNEY-MPEURRAXSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000299746527 229388704 /nfs/dbraw/zinc/38/87/04/229388704.db2.gz XZWFDYONMYMISY-LBPRGKRZSA-N 0 0 317.349 0.145 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000364771172 287633835 /nfs/dbraw/zinc/63/38/35/287633835.db2.gz MTXBDAZQDPBADQ-XFNZEKPQSA-N 0 0 324.402 1.000 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184719979 261119718 /nfs/dbraw/zinc/11/97/18/261119718.db2.gz IWEYETQSBHKRLR-UHFFFAOYSA-N 0 0 303.362 0.995 10 0 DCAERN COCC(=O)N[C@H](C(=O)NC[C@H]1CCC(C)(C)O1)C(C)C ZINC000187330230 261124173 /nfs/dbraw/zinc/12/41/73/261124173.db2.gz OBBBEXLYIWRUFC-YPMHNXCESA-N 0 0 300.399 0.847 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189312232 261131537 /nfs/dbraw/zinc/13/15/37/261131537.db2.gz QIUFPHAAZXYZFG-WDEREUQCSA-N 0 0 318.399 0.079 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@@H]1C ZINC000190550715 261134679 /nfs/dbraw/zinc/13/46/79/261134679.db2.gz XVTSSIDYSLEJOT-CABZTGNLSA-N 0 0 315.395 0.170 10 0 DCAERN CC(=O)NC1CN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000190473386 261134681 /nfs/dbraw/zinc/13/46/81/261134681.db2.gz ZPQBVAMLXODAOB-LLVKDONJSA-N 0 0 309.410 0.808 10 0 DCAERN CCN1CCCN(Cc2csc(CC(=O)NC)n2)CC1=O ZINC000190214729 261134794 /nfs/dbraw/zinc/13/47/94/261134794.db2.gz BESHKWKFFNMTEN-UHFFFAOYSA-N 0 0 310.423 0.486 10 0 DCAERN COCCO[C@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000193554646 261142156 /nfs/dbraw/zinc/14/21/56/261142156.db2.gz GJGQEEHBRKPDIZ-JTQLQIEISA-N 0 0 306.370 0.577 10 0 DCAERN Cc1cc(COCC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)on1 ZINC000193878433 261144085 /nfs/dbraw/zinc/14/40/85/261144085.db2.gz BRJFITIPMCRKBP-CQSZACIVSA-N 0 0 321.308 0.982 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000194783441 261148989 /nfs/dbraw/zinc/14/89/89/261148989.db2.gz JCLIBVCAOWWXMZ-GZMMTYOYSA-N 0 0 300.318 0.178 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000357651269 261566828 /nfs/dbraw/zinc/56/68/28/261566828.db2.gz LAQRYMYTAUNSGT-NEPJUHHUSA-N 0 0 310.398 0.260 10 0 DCAERN COC[C@H](CO)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000357710342 261575012 /nfs/dbraw/zinc/57/50/12/261575012.db2.gz RXXXARDEMYXONA-WMLDXEAASA-N 0 0 320.389 0.805 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000357828745 261590119 /nfs/dbraw/zinc/59/01/19/261590119.db2.gz LWTJWOWCCSCOCJ-NSHDSACASA-N 0 0 317.345 0.117 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC(C)(C)CCCO ZINC000357880525 261596230 /nfs/dbraw/zinc/59/62/30/261596230.db2.gz POUKMICFTSBEPB-VXGBXAGGSA-N 0 0 300.399 0.131 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)C1 ZINC000358110608 261632863 /nfs/dbraw/zinc/63/28/63/261632863.db2.gz SOYXDBOWSWXKNV-WISYIIOYSA-N 0 0 304.412 0.771 10 0 DCAERN O=C(CCN1C(=O)COc2ccccc21)NC[C@H](CO)C1CC1 ZINC000358332218 261658652 /nfs/dbraw/zinc/65/86/52/261658652.db2.gz HEYLBLWDQRRFNA-CYBMUJFWSA-N 0 0 318.373 0.937 10 0 DCAERN COCCOCCN(C)C(=O)NCCc1cccc(OC)n1 ZINC000358888207 261710398 /nfs/dbraw/zinc/71/03/98/261710398.db2.gz MOMAZZGNDXUOCB-UHFFFAOYSA-N 0 0 311.382 0.937 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000359519189 261751994 /nfs/dbraw/zinc/75/19/94/261751994.db2.gz UWEUUTKKPJESEH-ZFWWWQNUSA-N 0 0 322.405 0.955 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@H](CO)C1CC1)C2=O ZINC000359823397 261772367 /nfs/dbraw/zinc/77/23/67/261772367.db2.gz PBIOTYXBVWDSRB-LBPRGKRZSA-N 0 0 316.357 0.726 10 0 DCAERN COc1c(NC(=O)C(=O)NC[C@@H]2C[C@@H]2C)cccc1C(N)=O ZINC000360577098 261847985 /nfs/dbraw/zinc/84/79/85/261847985.db2.gz XIOWVZLJGKMMGW-IUCAKERBSA-N 0 0 305.334 0.505 10 0 DCAERN COC[C@@H](C)[C@@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000360629301 261855359 /nfs/dbraw/zinc/85/53/59/261855359.db2.gz REDPSJDFLZQZDH-VXGBXAGGSA-N 0 0 320.455 0.693 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1cccc2c1CCO2 ZINC000362127167 262001999 /nfs/dbraw/zinc/00/19/99/262001999.db2.gz XVVGIZFRSLHILO-WDEREUQCSA-N 0 0 304.346 0.789 10 0 DCAERN COC[C@@](C)(NC(=O)CS(=O)(=O)C(C)C)C(F)(F)F ZINC000362207398 262009634 /nfs/dbraw/zinc/00/96/34/262009634.db2.gz KEXRNUWBWUMUHJ-SECBINFHSA-N 0 0 305.318 0.893 10 0 DCAERN COC(=O)C[C@]1(NCC(=O)Nc2nc(C)cs2)CCOC1 ZINC000362277988 262017793 /nfs/dbraw/zinc/01/77/93/262017793.db2.gz JHTSZXGIHYFRRY-CYBMUJFWSA-N 0 0 313.379 0.702 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000362282144 262018814 /nfs/dbraw/zinc/01/88/14/262018814.db2.gz QOCIXNLPYWZJTQ-AAEUAGOBSA-N 0 0 322.361 0.826 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)CCOCC(C)C ZINC000362459322 262037797 /nfs/dbraw/zinc/03/77/97/262037797.db2.gz VZILIQMJFHGSCR-KBPBESRZSA-N 0 0 303.399 0.986 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ncccc1C ZINC000362477780 262039680 /nfs/dbraw/zinc/03/96/80/262039680.db2.gz XUODQASBCTXZFS-QWRGUYRKSA-N 0 0 322.365 0.968 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000362534496 262044613 /nfs/dbraw/zinc/04/46/13/262044613.db2.gz QMFHEXPEQXKHOX-ZIAGYGMSSA-N 0 0 319.361 0.432 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCC[C@@H]1C ZINC000362621167 262053738 /nfs/dbraw/zinc/05/37/38/262053738.db2.gz ZAKBZOQZJFHGDV-YNEHKIRRSA-N 0 0 322.427 0.126 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncc(Cl)cn1 ZINC000362658232 262057470 /nfs/dbraw/zinc/05/74/70/262057470.db2.gz QROBXRAJRNVWAK-JGVFFNPUSA-N 0 0 300.746 0.998 10 0 DCAERN Cc1noc(CN2CCN(C(=O)c3cccc(CO)c3)CC2)n1 ZINC000362724983 262065307 /nfs/dbraw/zinc/06/53/07/262065307.db2.gz CDDBGYKQEJJJEJ-UHFFFAOYSA-N 0 0 316.361 0.828 10 0 DCAERN COC(=O)C1(CNC(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000362824631 262076357 /nfs/dbraw/zinc/07/63/57/262076357.db2.gz DIRRWQPGECCGBY-UHFFFAOYSA-N 0 0 311.382 0.688 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC(C)(C)OC[C@@H]2C)C1 ZINC000362837149 262078653 /nfs/dbraw/zinc/07/86/53/262078653.db2.gz ANMANZSEDGGCAO-NWDGAFQWSA-N 0 0 312.414 0.999 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363134914 262101474 /nfs/dbraw/zinc/10/14/74/262101474.db2.gz NBULKPWJVQSHNA-OCCSQVGLSA-N 0 0 322.434 0.733 10 0 DCAERN CC1(C)OC(=O)c2c1ccnc2NC[C@@H](O)CN1CCOCC1 ZINC000363725090 262128231 /nfs/dbraw/zinc/12/82/31/262128231.db2.gz TXSOOHUAZDBASQ-LLVKDONJSA-N 0 0 321.377 0.592 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000363846920 262134171 /nfs/dbraw/zinc/13/41/71/262134171.db2.gz CRGKXOWEEVRPMR-ZDUSSCGKSA-N 0 0 322.434 0.729 10 0 DCAERN O=Cc1ccccc1OCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363861497 262135320 /nfs/dbraw/zinc/13/53/20/262135320.db2.gz WUOMRJSUWFCJPP-AWEZNQCLSA-N 0 0 304.346 0.421 10 0 DCAERN CC(C)NS(=O)(=O)NCc1nn(C)cc1Br ZINC000393623726 262161252 /nfs/dbraw/zinc/16/12/52/262161252.db2.gz CWYWASKGPNDCHB-UHFFFAOYSA-N 0 0 311.205 0.515 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](CO)C1CC1 ZINC000358324903 271049292 /nfs/dbraw/zinc/04/92/92/271049292.db2.gz CHMUMSSTKPATMH-QWHCGFSZSA-N 0 0 318.439 0.325 10 0 DCAERN O=C(CS(=O)(=O)Cc1ncccn1)NCc1ccc(F)cc1 ZINC000358745109 271065504 /nfs/dbraw/zinc/06/55/04/271065504.db2.gz VLTOOTIEEFGCAH-UHFFFAOYSA-N 0 0 323.349 0.847 10 0 DCAERN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000358770113 271069636 /nfs/dbraw/zinc/06/96/36/271069636.db2.gz IXBCIVRIHFMYBC-QJPTWQEYSA-N 0 0 300.399 0.536 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)C1)c1nncn1C ZINC000359487757 271120731 /nfs/dbraw/zinc/12/07/31/271120731.db2.gz XBYNZDIDHMQJRB-LDYMZIIASA-N 0 0 321.303 0.975 10 0 DCAERN CCS(=O)(=O)NCC(=O)Nc1cccc(CCCO)c1 ZINC000359601715 271129513 /nfs/dbraw/zinc/12/95/13/271129513.db2.gz IIHKIYGMXVUILG-UHFFFAOYSA-N 0 0 300.380 0.489 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000361057424 271175185 /nfs/dbraw/zinc/17/51/85/271175185.db2.gz GKZWUZDWLZBHJN-ZETCQYMHSA-N 0 0 317.349 0.545 10 0 DCAERN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cnnn1C ZINC000361275624 271177335 /nfs/dbraw/zinc/17/73/35/271177335.db2.gz PAUBOJLAGADTCF-JTQLQIEISA-N 0 0 312.370 0.682 10 0 DCAERN CN(CC1CC1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000361464823 271181819 /nfs/dbraw/zinc/18/18/19/271181819.db2.gz KGUHEEUMXPXTPO-UHFFFAOYSA-N 0 0 310.375 0.428 10 0 DCAERN C[C@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000363700988 271201037 /nfs/dbraw/zinc/20/10/37/271201037.db2.gz RWUGEPYJQJYQFX-YVECIDJPSA-N 0 0 315.439 0.562 10 0 DCAERN CN(CCCO)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000442989662 271692717 /nfs/dbraw/zinc/69/27/17/271692717.db2.gz DNBIZUWTLHUTNJ-UHFFFAOYSA-N 0 0 322.409 0.786 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)CN(C(C)C)C2=O)c1 ZINC000445940484 271751656 /nfs/dbraw/zinc/75/16/56/271751656.db2.gz ADNSYXWIHWNNHT-UHFFFAOYSA-N 0 0 311.363 0.772 10 0 DCAERN CCNC(=O)NC(=O)CNc1ccc2ccc(=O)n(C)c2c1 ZINC000447412626 271788640 /nfs/dbraw/zinc/78/86/40/271788640.db2.gz KIKJNFVSBKYHCL-UHFFFAOYSA-N 0 0 302.334 0.796 10 0 DCAERN CC(C)(C)c1nc(C(=O)NC[C@H](O)Cn2ccnn2)cs1 ZINC000458147277 271944287 /nfs/dbraw/zinc/94/42/87/271944287.db2.gz SGFMNKZYGFAFFZ-VIFPVBQESA-N 0 0 309.395 0.823 10 0 DCAERN COCCOCCN(C)C(=O)C(=O)N1CCC[C@H](C)CC1 ZINC000460081504 272025940 /nfs/dbraw/zinc/02/59/40/272025940.db2.gz YDPXNIWVVAAAKQ-ZDUSSCGKSA-N 0 0 300.399 0.756 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC(C)C ZINC000487367384 272041070 /nfs/dbraw/zinc/04/10/70/272041070.db2.gz MUDZAZRHXWKVHX-WDEREUQCSA-N 0 0 322.427 0.408 10 0 DCAERN COC(=O)CCCNC(=O)NCCCc1nnc2ccccn21 ZINC000489277542 272059240 /nfs/dbraw/zinc/05/92/40/272059240.db2.gz MCYOHOPAGRJHGJ-UHFFFAOYSA-N 0 0 319.365 0.914 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)Cn2ncc3ccccc32)C1 ZINC000492583520 272135647 /nfs/dbraw/zinc/13/56/47/272135647.db2.gz PQNJEZVPTUXGQM-UHFFFAOYSA-N 0 0 322.390 0.044 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)cn1 ZINC000514587112 272399692 /nfs/dbraw/zinc/39/96/92/272399692.db2.gz YUFNFLGDOYTUGG-ZIAGYGMSSA-N 0 0 321.377 0.786 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)C(=O)NC2CC2)n1 ZINC000526062774 272590267 /nfs/dbraw/zinc/59/02/67/272590267.db2.gz NQHSKRZCZARDFU-UHFFFAOYSA-N 0 0 311.363 0.257 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cnc2c(c1)nnn2C ZINC000408167311 287671095 /nfs/dbraw/zinc/67/10/95/287671095.db2.gz XGRMNPOLZNZXNW-RKDXNWHRSA-N 0 0 302.338 0.089 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(C(=O)N(C)C)cn2)C1 ZINC000527317631 287691650 /nfs/dbraw/zinc/69/16/50/287691650.db2.gz VEMBZFXNVDRZCF-MRXNPFEDSA-N 0 0 318.377 0.980 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)NC(C)(C)C(=O)N(C)C)c1 ZINC000535097039 287829661 /nfs/dbraw/zinc/82/96/61/287829661.db2.gz RCOZQAFFLVFMJV-UHFFFAOYSA-N 0 0 307.350 0.947 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000172756673 275496732 /nfs/dbraw/zinc/49/67/32/275496732.db2.gz PIMVPHSMVLKWRV-LLVKDONJSA-N 0 0 324.406 0.648 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000536554126 287857023 /nfs/dbraw/zinc/85/70/23/287857023.db2.gz MLAFJRXIYFIIHD-JTQLQIEISA-N 0 0 305.304 0.856 10 0 DCAERN CC(=O)c1ccc(CNC(=O)[C@H](O)C2CCOCC2)nc1C ZINC000537467840 287865699 /nfs/dbraw/zinc/86/56/99/287865699.db2.gz RKHKKSTXZBEGOK-OAHLLOKOSA-N 0 0 306.362 0.996 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C(C)(C)OC)CC2)n1 ZINC000171605466 276384182 /nfs/dbraw/zinc/38/41/82/276384182.db2.gz TZXQVJONJJTCSM-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)NC(C)(C)C(=O)N(C)C ZINC000539674652 287893061 /nfs/dbraw/zinc/89/30/61/287893061.db2.gz NUNURXKXRIBLDD-LLVKDONJSA-N 0 0 308.378 0.929 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1N1CCOCC1 ZINC000329756587 276565601 /nfs/dbraw/zinc/56/56/01/276565601.db2.gz YSBLOCKXBQEJRB-HZSPNIEDSA-N 0 0 309.410 0.034 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408038014 276946714 /nfs/dbraw/zinc/94/67/14/276946714.db2.gz JHFGTBWBNGXTNV-JSGCOSHPSA-N 0 0 307.394 0.467 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000408045899 277001746 /nfs/dbraw/zinc/00/17/46/277001746.db2.gz IYYQKLAUKNXBFI-OCCSQVGLSA-N 0 0 301.346 0.298 10 0 DCAERN CC(C)(O)CN1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000542504402 287940744 /nfs/dbraw/zinc/94/07/44/287940744.db2.gz UVOAJETZLWXUFD-UHFFFAOYSA-N 0 0 303.366 0.258 10 0 DCAERN CNC(=O)c1ccc(N2CCC(c3cnn(C)c3)CC2)nn1 ZINC000266832747 277258418 /nfs/dbraw/zinc/25/84/18/277258418.db2.gz IMUKYMWENVMCLT-UHFFFAOYSA-N 0 0 300.366 0.954 10 0 DCAERN COC(=O)C1(Cn2c(=O)[nH]c3ccccc3c2=O)CCOCC1 ZINC000180442576 277309574 /nfs/dbraw/zinc/30/95/74/277309574.db2.gz CPSNIFRGSODUJZ-UHFFFAOYSA-N 0 0 318.329 0.660 10 0 DCAERN O=C(c1c[nH]nc1-c1ccncc1)N1CCN2CCOC[C@@H]2C1 ZINC000543605942 287960808 /nfs/dbraw/zinc/96/08/08/287960808.db2.gz ZTSFRPXXTMIGBS-ZDUSSCGKSA-N 0 0 313.361 0.628 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)N[C@@]1(CO)CCOC1 ZINC000544537114 287976496 /nfs/dbraw/zinc/97/64/96/287976496.db2.gz XRUVZHOZKDAYLA-MRXNPFEDSA-N 0 0 321.377 0.796 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000372093762 277942016 /nfs/dbraw/zinc/94/20/16/277942016.db2.gz HRLZVHPTPLZINM-BDJLRTHQSA-N 0 0 323.393 0.925 10 0 DCAERN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cccc3ncnn32)C1 ZINC000545500937 288001677 /nfs/dbraw/zinc/00/16/77/288001677.db2.gz VRKYYDIWUCQCLC-LLVKDONJSA-N 0 0 314.349 0.405 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000342733447 278020119 /nfs/dbraw/zinc/02/01/19/278020119.db2.gz VIDPILHSPXMEAM-JQWIXIFHSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000332746107 278069041 /nfs/dbraw/zinc/06/90/41/278069041.db2.gz IABYYGPWIONXAH-MRTXSQPYSA-N 0 0 308.378 0.042 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000287855923 278110146 /nfs/dbraw/zinc/11/01/46/278110146.db2.gz LZPQZLYFGRZQCR-MBNYWOFBSA-N 0 0 316.365 0.806 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)CC2 ZINC000181482305 278110432 /nfs/dbraw/zinc/11/04/32/278110432.db2.gz CZFGCFUFUVPIDU-WDEREUQCSA-N 0 0 322.413 0.492 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2nnnn2C)C1 ZINC000408209007 278150605 /nfs/dbraw/zinc/15/06/05/278150605.db2.gz AXAMMCIABMYPDC-RKDXNWHRSA-N 0 0 306.292 0.242 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000408088799 278163208 /nfs/dbraw/zinc/16/32/08/278163208.db2.gz KRHQKFQWIMOBBU-MFKMUULPSA-N 0 0 308.382 0.461 10 0 DCAERN CC(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000016321646 278221548 /nfs/dbraw/zinc/22/15/48/278221548.db2.gz QZKDRLZSJSWQPS-KKJSVHSVSA-N 0 0 302.323 0.946 10 0 in-vitro DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC000546856293 288032851 /nfs/dbraw/zinc/03/28/51/288032851.db2.gz KZFYJLJGZSADSG-GFCCVEGCSA-N 0 0 305.382 0.881 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000189157534 278429563 /nfs/dbraw/zinc/42/95/63/278429563.db2.gz NTSGOUIJUFZCGD-ZFWWWQNUSA-N 0 0 316.409 0.622 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177617113 278568091 /nfs/dbraw/zinc/56/80/91/278568091.db2.gz MGVPDZGCXQIYHG-NXEZZACHSA-N 0 0 309.395 0.541 10 0 DCAERN CN(C[C@H]1CCCOC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000547732433 288073443 /nfs/dbraw/zinc/07/34/43/288073443.db2.gz ZTXNLMXOXWWIAW-CZUORRHYSA-N 0 0 308.378 0.484 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000547756309 288075749 /nfs/dbraw/zinc/07/57/49/288075749.db2.gz JUMATULZCREHTK-ZDUSSCGKSA-N 0 0 321.421 0.620 10 0 DCAERN CCc1nc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)no1 ZINC000547824106 288082788 /nfs/dbraw/zinc/08/27/88/288082788.db2.gz VGBTUXMMUICLHJ-LBPRGKRZSA-N 0 0 300.318 0.945 10 0 DCAERN COC(=O)CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000548424878 288141531 /nfs/dbraw/zinc/14/15/31/288141531.db2.gz DUTNSKFHPNHWOW-KGLIPLIRSA-N 0 0 310.394 0.794 10 0 DCAERN CN(Cc1nnnn1C)C(=O)C(=O)Nc1cccc2cc[nH]c21 ZINC000548465250 288146107 /nfs/dbraw/zinc/14/61/07/288146107.db2.gz JKSRTPXQRCHLDK-UHFFFAOYSA-N 0 0 313.321 0.289 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1 ZINC000548582617 288157100 /nfs/dbraw/zinc/15/71/00/288157100.db2.gz ZQYLLPBUGTWIHS-DGCLKSJQSA-N 0 0 320.349 0.280 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cnn3ccccc23)n1 ZINC000548662340 288164735 /nfs/dbraw/zinc/16/47/35/288164735.db2.gz QLXUDZASMQNIQC-ZWNOBZJWSA-N 0 0 313.317 0.974 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)COc3cnn(C)c3)C2)no1 ZINC000548867077 288182965 /nfs/dbraw/zinc/18/29/65/288182965.db2.gz VQTROOZXEHACQG-LBPRGKRZSA-N 0 0 319.365 0.972 10 0 DCAERN CO[C@]1(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)CCOC1 ZINC000548887382 288184985 /nfs/dbraw/zinc/18/49/85/288184985.db2.gz SOSLTNIZLLYCSP-DOMZBBRYSA-N 0 0 308.382 0.902 10 0 DCAERN c1ccc(Cn2nnnc2CN2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000548944297 288188562 /nfs/dbraw/zinc/18/85/62/288188562.db2.gz PERHXIACBQVZHT-OKILXGFUSA-N 0 0 301.350 0.321 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC(=O)[C@H](C)C1)N1CCCS1(=O)=O ZINC000408387850 280141460 /nfs/dbraw/zinc/14/14/60/280141460.db2.gz SSDULMGFNJKPJQ-DGCLKSJQSA-N 0 0 316.423 0.484 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000329351596 280394965 /nfs/dbraw/zinc/39/49/65/280394965.db2.gz UEJJRIPQIPTYDL-YNEHKIRRSA-N 0 0 303.424 0.941 10 0 DCAERN O=C(NCCn1cncn1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551875626 288239537 /nfs/dbraw/zinc/23/95/37/288239537.db2.gz BGZSQYXIZXFIRX-LLVKDONJSA-N 0 0 317.353 0.738 10 0 DCAERN Cc1nc2sccn2c(=O)c1CCN(C)Cc1nnnn1C ZINC000552070053 288262952 /nfs/dbraw/zinc/26/29/52/288262952.db2.gz AGFKRZXTOVSVAK-UHFFFAOYSA-N 0 0 319.394 0.262 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000552348320 288272972 /nfs/dbraw/zinc/27/29/72/288272972.db2.gz PEMQALYCMLBMER-KBPBESRZSA-N 0 0 312.410 0.947 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000552348321 288272992 /nfs/dbraw/zinc/27/29/92/288272992.db2.gz PEMQALYCMLBMER-KGLIPLIRSA-N 0 0 312.410 0.947 10 0 DCAERN C[C@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCOC1 ZINC000552741822 288279635 /nfs/dbraw/zinc/27/96/35/288279635.db2.gz IPPMUMXGJDTQDT-OAHLLOKOSA-N 0 0 302.334 0.816 10 0 DCAERN CC[C@H](O)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552736398 288279648 /nfs/dbraw/zinc/27/96/48/288279648.db2.gz PFJPJYOYHSFZGH-LBPRGKRZSA-N 0 0 304.350 0.940 10 0 DCAERN CCNC(=O)N1CC[C@@H](Nc2nc(C)cc(C(=O)OC)n2)C1 ZINC000553147609 288288562 /nfs/dbraw/zinc/28/85/62/288288562.db2.gz HZSMCPVRNBQJAQ-SNVBAGLBSA-N 0 0 307.354 0.787 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n(C)n1 ZINC000155758786 281385642 /nfs/dbraw/zinc/38/56/42/281385642.db2.gz DWXLXHQIXKXBTC-VHSXEESVSA-N 0 0 321.381 0.033 10 0 DCAERN CC1(C)CNC(=O)CN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000554555545 288328705 /nfs/dbraw/zinc/32/87/05/288328705.db2.gz SSRMOXDATQJNQT-UHFFFAOYSA-N 0 0 313.361 0.682 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)cn1 ZINC000554567907 288329320 /nfs/dbraw/zinc/32/93/20/288329320.db2.gz DGJVIIWZWHRAGF-HNNXBMFYSA-N 0 0 319.365 0.307 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000554569620 288329512 /nfs/dbraw/zinc/32/95/12/288329512.db2.gz POFGTTQIGFLQKK-UHFFFAOYSA-N 0 0 303.366 0.934 10 0 DCAERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NCc1cc[nH]n1 ZINC000555579681 288357643 /nfs/dbraw/zinc/35/76/43/288357643.db2.gz OJBNORPPBXVBFU-LLVKDONJSA-N 0 0 316.361 0.821 10 0 DCAERN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C2CC2)CC1 ZINC000556696785 288385045 /nfs/dbraw/zinc/38/50/45/288385045.db2.gz VENZPCIRWYAWGB-NSHDSACASA-N 0 0 318.443 0.355 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)CCn1cnccc1=O ZINC000557512199 288421515 /nfs/dbraw/zinc/42/15/15/288421515.db2.gz HQPWIVHSAMKWQZ-GFCCVEGCSA-N 0 0 301.350 0.561 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000558372624 288440846 /nfs/dbraw/zinc/44/08/46/288440846.db2.gz INSQKLQVWMCEBY-IJLUTSLNSA-N 0 0 306.366 0.067 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ncnn1C ZINC000558701825 288457215 /nfs/dbraw/zinc/45/72/15/288457215.db2.gz RUKSMUZZBXRSPU-KOLCDFICSA-N 0 0 303.370 0.986 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@H]2CCCCS2(=O)=O)C1=O ZINC000562403368 288572335 /nfs/dbraw/zinc/57/23/35/288572335.db2.gz HYCNATFNWHOZRM-UZAOFVRNSA-N 0 0 300.380 0.840 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H](C)S(C)(=O)=O)cc1 ZINC000564891188 288783451 /nfs/dbraw/zinc/78/34/51/288783451.db2.gz PPCWEMQCZRXKTJ-SNVBAGLBSA-N 0 0 312.391 0.832 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@H]2CCc3nnnn3CC2)s1 ZINC000565070945 288814477 /nfs/dbraw/zinc/81/44/77/288814477.db2.gz UOQTYYFTSGLZOV-QMMMGPOBSA-N 0 0 306.351 0.923 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000329690175 289046800 /nfs/dbraw/zinc/04/68/00/289046800.db2.gz GKISJYNFHHEJLD-XJKCOSOUSA-N 0 0 318.421 0.836 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329567040 289047292 /nfs/dbraw/zinc/04/72/92/289047292.db2.gz LASJHBICZDHRIW-TYNCELHUSA-N 0 0 319.409 0.231 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCNC(=O)CC1 ZINC000126184120 289365328 /nfs/dbraw/zinc/36/53/28/289365328.db2.gz CORYYGHLWJWSPE-TZMCWYRMSA-N 0 0 317.389 0.837 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155357245 289528685 /nfs/dbraw/zinc/52/86/85/289528685.db2.gz CDHLTLKWKTXKJN-UHFFFAOYSA-N 0 0 316.345 0.516 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@@H]1c1cccnc1 ZINC000279177325 289833524 /nfs/dbraw/zinc/83/35/24/289833524.db2.gz BLFPBENDDJIIFQ-GUTXKFCHSA-N 0 0 317.389 0.830 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545808 290084504 /nfs/dbraw/zinc/08/45/04/290084504.db2.gz DHWYSBWACKZOHB-UONOGXRCSA-N 0 0 303.362 0.331 10 0 DCAERN CN1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1=O ZINC000076247940 290297493 /nfs/dbraw/zinc/29/74/93/290297493.db2.gz RMLHYUULTDJZEK-JHJVBQTASA-N 0 0 312.435 0.978 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000249439057 293449193 /nfs/dbraw/zinc/44/91/93/293449193.db2.gz FJVMENNLHMFYEB-KBPBESRZSA-N 0 0 320.455 0.538 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccn(C)c(=O)c3)[C@H]2C1 ZINC000127790039 293780163 /nfs/dbraw/zinc/78/01/63/293780163.db2.gz KMJCHZHIOINGAH-RDBSUJKOSA-N 0 0 306.362 0.794 10 0 DCAERN Cc1noc(C)c1CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408197517 293927197 /nfs/dbraw/zinc/92/71/97/293927197.db2.gz JYBFUHUQCAALTN-SECBINFHSA-N 0 0 300.380 0.870 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H](CO)C2)C[C@@H](C)O1 ZINC000378238535 297047042 /nfs/dbraw/zinc/04/70/42/297047042.db2.gz YICLVXWKHZSTPL-JHJVBQTASA-N 0 0 306.428 0.435 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C1(C)C ZINC000408106997 294017323 /nfs/dbraw/zinc/01/73/23/294017323.db2.gz MPXLQCNPXWNWMT-WISYIIOYSA-N 0 0 318.439 0.874 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C[C@H](C)O1 ZINC000246218357 297056589 /nfs/dbraw/zinc/05/65/89/297056589.db2.gz UJDDZIVQVDZSPM-VEDUHTKKSA-N 0 0 318.439 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](C)CO1 ZINC000173207428 297059149 /nfs/dbraw/zinc/05/91/49/297059149.db2.gz WZJACVMDWJVLFZ-LBELIVKGSA-N 0 0 318.439 0.744 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000408370331 294228612 /nfs/dbraw/zinc/22/86/12/294228612.db2.gz JLAXGCSEGXGSJZ-ABAIWWIYSA-N 0 0 323.418 0.909 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCN(C(=O)C4CC4)C3)C2=O)cn1 ZINC000333133251 294252289 /nfs/dbraw/zinc/25/22/89/294252289.db2.gz BFCBJBGSUCYECE-CYBMUJFWSA-N 0 0 303.366 0.037 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000195342175 294292310 /nfs/dbraw/zinc/29/23/10/294292310.db2.gz YWGARRGGYKQTSL-UPJWGTAASA-N 0 0 306.428 0.004 10 0 DCAERN CO[C@]1(C)C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193402433 294841911 /nfs/dbraw/zinc/84/19/11/294841911.db2.gz UCZKHXLSHBNDGY-BRXULGCHSA-N 0 0 312.410 0.630 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cncc(Br)c1 ZINC000091783344 295120534 /nfs/dbraw/zinc/12/05/34/295120534.db2.gz GSVVZXZCISGAGP-VIFPVBQESA-N 0 0 314.139 0.170 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000042747243 295196175 /nfs/dbraw/zinc/19/61/75/295196175.db2.gz WCPZFMSBOYQSSH-QWRGUYRKSA-N 0 0 312.391 0.970 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000042747249 295196788 /nfs/dbraw/zinc/19/67/88/295196788.db2.gz WCPZFMSBOYQSSH-WDEREUQCSA-N 0 0 312.391 0.970 10 0 DCAERN COc1ccccc1N1CC[C@H](N2CCNC(=O)[C@@H]2C)C1=O ZINC000248799440 295370573 /nfs/dbraw/zinc/37/05/73/295370573.db2.gz ZUWQALOLMNMBEQ-AAEUAGOBSA-N 0 0 303.362 0.621 10 0 DCAERN C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](O)[C@@H](O)C1 ZINC000408440583 298072657 /nfs/dbraw/zinc/07/26/57/298072657.db2.gz DHRPOYBDEYZVSC-RTXFEEFZSA-N 0 0 308.403 0.551 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C)N(C)CC(F)(F)F ZINC000192165881 298091801 /nfs/dbraw/zinc/09/18/01/298091801.db2.gz MYXLNUNGMPJFOJ-AEJSXWLSSA-N 0 0 309.332 0.981 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155398579 298103220 /nfs/dbraw/zinc/10/32/20/298103220.db2.gz JQHIZBHUIBXECY-XJFOESAGSA-N 0 0 316.467 0.998 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCO[C@@]2(CCOC2)C1 ZINC000375109616 298119602 /nfs/dbraw/zinc/11/96/02/298119602.db2.gz FNWWBNKDQMABCF-ABAIWWIYSA-N 0 0 313.398 0.491 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCCN(C)C(=O)C1 ZINC000191149812 298123435 /nfs/dbraw/zinc/12/34/35/298123435.db2.gz GBSCKLDXPYXZDH-GFCCVEGCSA-N 0 0 324.425 0.698 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)S(C)(=O)=O ZINC000248037036 298176437 /nfs/dbraw/zinc/17/64/37/298176437.db2.gz LKRCKDBGWMRKJZ-BNOWGMLFSA-N 0 0 310.419 0.981 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000130414803 298177145 /nfs/dbraw/zinc/17/71/45/298177145.db2.gz JVZKOKNUBNGYNP-NJMOYASZSA-N 0 0 308.378 0.844 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000299135561 298931453 /nfs/dbraw/zinc/93/14/53/298931453.db2.gz WUSVJXNIQRKKQQ-NRUUGDAUSA-N 0 0 309.395 0.237 10 0 DCAERN C[C@H]1CCOCCN1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000371422496 300005826 /nfs/dbraw/zinc/00/58/26/300005826.db2.gz GGAOLWSXQCRLGL-NSHDSACASA-N 0 0 304.412 0.632 10 0 DCAERN C[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000175493879 300141117 /nfs/dbraw/zinc/14/11/17/300141117.db2.gz HSMMAZXWFFRVRE-QWRGUYRKSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCc3ncnn3C1)CS2 ZINC000246655564 300866909 /nfs/dbraw/zinc/86/69/09/300866909.db2.gz ZTUYELCFWGQMCM-BHDSKKPTSA-N 0 0 321.406 0.163 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC(C)(O)CC3)cnc12 ZINC000408097238 302228244 /nfs/dbraw/zinc/22/82/44/302228244.db2.gz LFMWGKGXRHBIJA-UHFFFAOYSA-N 0 0 301.346 0.990 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000408456192 302291869 /nfs/dbraw/zinc/29/18/69/302291869.db2.gz GPWONBUERCBYJZ-QWRGUYRKSA-N 0 0 318.420 0.586 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCCN(C)C(=O)C1 ZINC000189789588 302807718 /nfs/dbraw/zinc/80/77/18/302807718.db2.gz NTZXORWZJUQBLB-UHFFFAOYSA-N 0 0 315.377 0.959 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccncc1Br ZINC000180205849 303334246 /nfs/dbraw/zinc/33/42/46/303334246.db2.gz VCUHYRKZOABBPM-SECBINFHSA-N 0 0 314.139 0.170 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408062547 303662167 /nfs/dbraw/zinc/66/21/67/303662167.db2.gz HLRUTSNTEOQKAW-MJBXVCDLSA-N 0 0 321.377 0.022 10 0 DCAERN COc1cc(C)nc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 ZINC000299745247 533703800 /nfs/dbraw/zinc/70/38/00/533703800.db2.gz XCZGVGIZVAHUPS-HTQZYQBOSA-N 0 0 304.272 0.894 10 0 DCAERN COc1ccc(F)cc1CNC(=O)CCNS(C)(=O)=O ZINC000188671963 333051537 /nfs/dbraw/zinc/05/15/37/333051537.db2.gz YXLLTXMCSKQJCO-UHFFFAOYSA-N 0 0 304.343 0.390 10 0 DCAERN CC(=O)c1cc(NC(=O)NC[C@@H](C)S(N)(=O)=O)ccc1C ZINC000582131015 333137154 /nfs/dbraw/zinc/13/71/54/333137154.db2.gz UHKGHAYRSASRSO-SECBINFHSA-N 0 0 313.379 0.996 10 0 DCAERN CN(C(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@H]1CCNC1=O ZINC000582038494 333179720 /nfs/dbraw/zinc/17/97/20/333179720.db2.gz GYMJDQKVGDXEEI-LBPRGKRZSA-N 0 0 314.345 0.891 10 0 DCAERN CC(=O)c1cccc(NC(=O)CS(=O)(=O)N(C)C)c1O ZINC000584460836 337344184 /nfs/dbraw/zinc/34/41/84/337344184.db2.gz MRJRNYWFBAQPPR-UHFFFAOYSA-N 0 0 300.336 0.425 10 0 DCAERN C[NH+](C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000584551458 337360488 /nfs/dbraw/zinc/36/04/88/337360488.db2.gz HZHRKCBRVWXXEH-KGLIPLIRSA-N 0 0 323.437 0.757 10 0 DCAERN CS(=O)(=O)Oc1cc(OS(C)(=O)=O)c2cccn2c1 ZINC000584605789 337371540 /nfs/dbraw/zinc/37/15/40/337371540.db2.gz JPOPRKGDCWMWAM-UHFFFAOYSA-N 0 0 305.333 0.616 10 0 DCAERN O=C(NC/C=C/c1ccccc1)NCCN1C(=O)CNC1=O ZINC000172149731 341793955 /nfs/dbraw/zinc/79/39/55/341793955.db2.gz LUPRREMURVJXSO-QPJJXVBHSA-N 0 0 302.334 0.551 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1C ZINC000172610969 341801734 /nfs/dbraw/zinc/80/17/34/341801734.db2.gz TXLFMOSMSYCMAH-ZJUUUORDSA-N 0 0 300.384 0.051 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175266611 341836554 /nfs/dbraw/zinc/83/65/54/341836554.db2.gz DXOHROHOPLHYCN-LSDHHAIUSA-N 0 0 302.374 0.983 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000576577843 341853263 /nfs/dbraw/zinc/85/32/63/341853263.db2.gz UKTLTDMAJCKFIW-AWEZNQCLSA-N 0 0 323.374 0.820 10 0 DCAERN COC(=O)c1cnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000576950049 341871554 /nfs/dbraw/zinc/87/15/54/341871554.db2.gz BONCSUZRBUDHLE-WCQYABFASA-N 0 0 306.366 0.420 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)[C@H]3CCC(C)(C)O3)CC2)C1=O ZINC000577165295 341892692 /nfs/dbraw/zinc/89/26/92/341892692.db2.gz RWSDWAPCPGBPJB-SNVBAGLBSA-N 0 0 309.366 0.487 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)N[C@@]2(CCOC2)C1=O ZINC000349116469 341963258 /nfs/dbraw/zinc/96/32/58/341963258.db2.gz UJPACQMJSBGENN-GIPNMCIBSA-N 0 0 316.379 0.053 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCCNC(=O)[C@@H]1C ZINC000188888286 519767107 /nfs/dbraw/zinc/76/71/07/519767107.db2.gz ZBPBFRNZGVKWCR-NSHDSACASA-N 0 0 304.412 0.184 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)CO)c(C)o1 ZINC000132048990 522268249 /nfs/dbraw/zinc/26/82/49/522268249.db2.gz WFPRBUKNPYCAIN-JGVFFNPUSA-N 0 0 304.368 0.243 10 0 DCAERN CS[C@@H](C)CC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328634105 533890740 /nfs/dbraw/zinc/89/07/40/533890740.db2.gz MMUZOHSBGXOAMP-QWRGUYRKSA-N 0 0 303.428 0.822 10 0 DCAERN C[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)N1CCCCC1 ZINC000171959174 533957733 /nfs/dbraw/zinc/95/77/33/533957733.db2.gz JEFUGZPANVHEND-RYUDHWBXSA-N 0 0 304.412 0.343 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)CCN1CCO ZINC000189217895 534365710 /nfs/dbraw/zinc/36/57/10/534365710.db2.gz MOJRDHHDQYKIKG-LLVKDONJSA-N 0 0 308.386 0.073 10 0 DCAERN NC(=O)Cn1cc(-c2nc(COc3ccccc3F)no2)nn1 ZINC000188352080 534369155 /nfs/dbraw/zinc/36/91/55/534369155.db2.gz SZRJTFROVLDGQY-UHFFFAOYSA-N 0 0 318.268 0.532 10 0 DCAERN CC(C)(C)C[C@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189663812 518693944 /nfs/dbraw/zinc/69/39/44/518693944.db2.gz SCEHKGUKMDFWJI-VIFPVBQESA-N 0 0 304.350 0.845 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000154439361 518899170 /nfs/dbraw/zinc/89/91/70/518899170.db2.gz DZQDNGLXMWMOCR-LBPRGKRZSA-N 0 0 318.439 0.133 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000190338527 519648193 /nfs/dbraw/zinc/64/81/93/519648193.db2.gz LQPJZJQJBLUFTK-UHFFFAOYSA-N 0 0 305.378 0.944 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000191500611 519649033 /nfs/dbraw/zinc/64/90/33/519649033.db2.gz CTHWCGOKERENRO-MRXNPFEDSA-N 0 0 317.389 0.234 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)C1 ZINC000191507441 519649100 /nfs/dbraw/zinc/64/91/00/519649100.db2.gz IXRMGUWOAZYCDE-UHFFFAOYSA-N 0 0 318.358 0.986 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203563 519653340 /nfs/dbraw/zinc/65/33/40/519653340.db2.gz IEQIMBSOHWEDTL-UKRRQHHQSA-N 0 0 311.332 0.962 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157477541 519704761 /nfs/dbraw/zinc/70/47/61/519704761.db2.gz VHYIBAGKYGBZAM-UHFFFAOYSA-N 0 0 318.420 0.748 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000188860319 519754026 /nfs/dbraw/zinc/75/40/26/519754026.db2.gz JAXJVAFBYNUQIZ-JTQLQIEISA-N 0 0 324.381 0.925 10 0 DCAERN CC(C)[C@@H](O)CC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000157167672 519800267 /nfs/dbraw/zinc/80/02/67/519800267.db2.gz GFHORJFSMQCJGT-DZGCQCFKSA-N 0 0 316.467 0.718 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889920 519892748 /nfs/dbraw/zinc/89/27/48/519892748.db2.gz YQJCJEIKKDTHNL-GJZGRUSLSA-N 0 0 324.425 0.515 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccccc2N)C[C@@H](CO)O1 ZINC000162873362 520493014 /nfs/dbraw/zinc/49/30/14/520493014.db2.gz GUHYHWIZNYMDMW-JTQLQIEISA-N 0 0 300.380 0.429 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)c1 ZINC000178806008 534500130 /nfs/dbraw/zinc/50/01/30/534500130.db2.gz GTBSOURIBOYKCB-JQWIXIFHSA-N 0 0 312.391 0.615 10 0 DCAERN CCC[C@@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)[NH+](C)C ZINC000188330801 520596304 /nfs/dbraw/zinc/59/63/04/520596304.db2.gz PSPGQVJRRUXYLR-LBPRGKRZSA-N 0 0 304.354 0.624 10 0 DCAERN CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153863091 520818191 /nfs/dbraw/zinc/81/81/91/520818191.db2.gz IBHKLLLCDRUMMU-GHMZBOCLSA-N 0 0 309.370 0.481 10 0 DCAERN CCOc1ccc(OC[C@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191728442 521178975 /nfs/dbraw/zinc/17/89/75/521178975.db2.gz KLNIDYKSJLLSMN-CQSZACIVSA-N 0 0 308.378 0.645 10 0 DCAERN CCOc1ccnc(N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189197265 521597250 /nfs/dbraw/zinc/59/72/50/521597250.db2.gz PCQPHQXSKBNQQT-LLVKDONJSA-N 0 0 318.385 0.282 10 0 DCAERN CCC1(CC)CN(CC(=O)NC[C@H]2CCCO2)CC[S@]1=O ZINC000248913131 521690500 /nfs/dbraw/zinc/69/05/00/521690500.db2.gz CMIVFCJPNKQICQ-ASSNKEHSSA-N 0 0 316.467 0.905 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)ccc1F ZINC000166772296 521748271 /nfs/dbraw/zinc/74/82/71/521748271.db2.gz YQOHHDOJBBOCRO-LLVKDONJSA-N 0 0 311.288 0.640 10 0 DCAERN CNC(=O)c1ccc(N2CCO[C@H](Cn3cc(C)cn3)C2)nn1 ZINC000266831374 521831773 /nfs/dbraw/zinc/83/17/73/521831773.db2.gz HRRWUAXTOYEDPP-LBPRGKRZSA-N 0 0 316.365 0.247 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000162990385 521861078 /nfs/dbraw/zinc/86/10/78/521861078.db2.gz MAVYYWDEKQASMM-UHFFFAOYSA-N 0 0 324.402 0.695 10 0 DCAERN CN(C)c1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154113418 522260511 /nfs/dbraw/zinc/26/05/11/522260511.db2.gz RLQPRQXARNDJDA-OAHLLOKOSA-N 0 0 307.394 0.176 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000155310341 522321666 /nfs/dbraw/zinc/32/16/66/522321666.db2.gz GJTLBUDQYMCTLD-MFKMUULPSA-N 0 0 319.361 0.213 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCCn3ncnc32)cn1 ZINC000154539657 522352779 /nfs/dbraw/zinc/35/27/79/522352779.db2.gz FSNUCFIWVVDFIX-SNVBAGLBSA-N 0 0 302.342 0.791 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000132214995 522663916 /nfs/dbraw/zinc/66/39/16/522663916.db2.gz JJSSGDUTSFGCIK-QMMMGPOBSA-N 0 0 308.773 0.972 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000188503240 522758435 /nfs/dbraw/zinc/75/84/35/522758435.db2.gz UDXLAYJLXMZQPI-CQSZACIVSA-N 0 0 321.352 0.969 10 0 DCAERN COC(=O)C1(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000127686599 522809688 /nfs/dbraw/zinc/80/96/88/522809688.db2.gz WIHCFYYPGYIPES-UHFFFAOYSA-N 0 0 320.393 0.408 10 0 DCAERN CN(CCOCC1CC1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188516226 522891244 /nfs/dbraw/zinc/89/12/44/522891244.db2.gz YCRSBNUGVBUBIG-UHFFFAOYSA-N 0 0 302.334 0.817 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)ccc1F ZINC000190582379 522897460 /nfs/dbraw/zinc/89/74/60/522897460.db2.gz RUXXCHIFWWOGJL-QMMMGPOBSA-N 0 0 304.343 0.589 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)NCCn2cc(C)cn2)CC1 ZINC000176719014 522927700 /nfs/dbraw/zinc/92/77/00/522927700.db2.gz GRQQNBDVRVHNJU-UHFFFAOYSA-N 0 0 315.395 0.454 10 0 DCAERN COC(=O)CCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000164676712 522963112 /nfs/dbraw/zinc/96/31/12/522963112.db2.gz NJRLENDOCILAAP-GFCCVEGCSA-N 0 0 306.366 0.905 10 0 DCAERN COCc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000365112932 523102631 /nfs/dbraw/zinc/10/26/31/523102631.db2.gz WKOGXCZAGJYMJW-HUUCEWRRSA-N 0 0 306.362 0.431 10 0 DCAERN COCCCOC1CN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000119987581 523386918 /nfs/dbraw/zinc/38/69/18/523386918.db2.gz FTWZEJVPBCOFQD-UHFFFAOYSA-N 0 0 324.352 0.706 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CS(=O)(=O)CC)CCO2)cn1 ZINC000191717690 523463485 /nfs/dbraw/zinc/46/34/85/523463485.db2.gz RERVUBIEVZWENA-LBPRGKRZSA-N 0 0 315.395 0.238 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000368464782 523619675 /nfs/dbraw/zinc/61/96/75/523619675.db2.gz HXGVCXXTOJGEPK-VPWBDBDCSA-N 0 0 309.410 0.942 10 0 DCAERN COc1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000266134633 523669509 /nfs/dbraw/zinc/66/95/09/523669509.db2.gz DRMGOTXKQDKOJC-TZMCWYRMSA-N 0 0 305.378 0.883 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@@H]1C ZINC000191312806 523730882 /nfs/dbraw/zinc/73/08/82/523730882.db2.gz GDVFPBFMSZOHGA-CMPLNLGQSA-N 0 0 307.350 0.207 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCCn2cc(C)cn2)n(C)n1 ZINC000126491807 523801779 /nfs/dbraw/zinc/80/17/79/523801779.db2.gz HZTSUSLOIJDIGV-UHFFFAOYSA-N 0 0 304.354 0.242 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)CCC(C)C)C[C@H]1C ZINC000117295270 523842272 /nfs/dbraw/zinc/84/22/72/523842272.db2.gz GEKXJDPBLUDBGY-CQSZACIVSA-N 0 0 313.442 0.718 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000369030132 523894705 /nfs/dbraw/zinc/89/47/05/523894705.db2.gz UWDSJLAJIMKUKB-TUAOUCFPSA-N 0 0 302.371 0.631 10 0 DCAERN CCc1ccc(CN2CCN(CC(=O)NC(=O)NC)CC2)s1 ZINC000156790702 523927299 /nfs/dbraw/zinc/92/72/99/523927299.db2.gz AFRVFVLTZCDOTJ-UHFFFAOYSA-N 0 0 324.450 0.884 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)c2cc(C(N)=O)cn2C)CCCC1 ZINC000154776583 523970407 /nfs/dbraw/zinc/97/04/07/523970407.db2.gz CSGPHYZZDROPJH-UHFFFAOYSA-N 0 0 320.393 0.502 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000119202288 523971294 /nfs/dbraw/zinc/97/12/94/523971294.db2.gz SVSUIKZYIZUUGM-UHFFFAOYSA-N 0 0 306.288 0.876 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@@H](C)O1 ZINC000157702378 523972751 /nfs/dbraw/zinc/97/27/51/523972751.db2.gz JNHDPJSEYLYEIG-VXNVDRBHSA-N 0 0 315.757 0.784 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@](C)(O)c2ccccc2)CCC1=O ZINC000128731575 524010644 /nfs/dbraw/zinc/01/06/44/524010644.db2.gz NXLWUTVJGANSOV-BBRMVZONSA-N 0 0 305.378 0.814 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCC1=O ZINC000162887991 524011709 /nfs/dbraw/zinc/01/17/09/524011709.db2.gz ZKXCOYOFFUQGOF-CORIIIEPSA-N 0 0 303.362 0.565 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(C[C@H](C)O)CC2)cc1 ZINC000189384983 524050339 /nfs/dbraw/zinc/05/03/39/524050339.db2.gz CWPLYJATYKJVIB-AWEZNQCLSA-N 0 0 321.421 0.310 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000364944255 524057803 /nfs/dbraw/zinc/05/78/03/524057803.db2.gz PXZTUFOMUCTVRP-CYBMUJFWSA-N 0 0 306.366 0.316 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193558150 524082193 /nfs/dbraw/zinc/08/21/93/524082193.db2.gz CKQKZHWNMZMFGX-NSHDSACASA-N 0 0 304.350 0.374 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000155643184 524213212 /nfs/dbraw/zinc/21/32/12/524213212.db2.gz IQFAVRCQVIZGGY-STQMWFEESA-N 0 0 310.419 0.810 10 0 DCAERN Cc1ccc(CCC(=O)NCC(=O)N2CCNC(=O)CC2)cc1 ZINC000156644103 524293732 /nfs/dbraw/zinc/29/37/32/524293732.db2.gz ZMTDQNLFRCDVBM-UHFFFAOYSA-N 0 0 317.389 0.392 10 0 DCAERN COc1ccc(F)cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116835171 524299809 /nfs/dbraw/zinc/29/98/09/524299809.db2.gz SNTPADZUSWSQAB-JTQLQIEISA-N 0 0 316.354 0.598 10 0 DCAERN Cc1cccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000366201817 524358011 /nfs/dbraw/zinc/35/80/11/524358011.db2.gz JDOQRSONICPNQR-OAHLLOKOSA-N 0 0 304.394 0.659 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000366529456 524505167 /nfs/dbraw/zinc/50/51/67/524505167.db2.gz KTAYUNBORQNLDQ-QJPTWQEYSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCn1nnc2ccccc2c1=O ZINC000151894570 524568881 /nfs/dbraw/zinc/56/88/81/524568881.db2.gz FPKDDHSFOYAITA-MNOVXSKESA-N 0 0 304.350 0.315 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)NC(N)=O)C1 ZINC000156953577 524570545 /nfs/dbraw/zinc/57/05/45/524570545.db2.gz PUCVIEIIVPSBFB-GHMZBOCLSA-N 0 0 306.366 0.447 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cccc(F)c2)CCS1(=O)=O ZINC000155554616 524582465 /nfs/dbraw/zinc/58/24/65/524582465.db2.gz VNJWCWZUWQQMHG-JTQLQIEISA-N 0 0 300.355 0.883 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184896848 524816436 /nfs/dbraw/zinc/81/64/36/524816436.db2.gz KZTUIMAOFVDQNW-YUMQZZPRSA-N 0 0 315.317 0.741 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000159189706 524834255 /nfs/dbraw/zinc/83/42/55/524834255.db2.gz KSXKOUBVEWVYLU-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000266682509 524948549 /nfs/dbraw/zinc/94/85/49/524948549.db2.gz RLDZHPBDGAYSDR-QWHCGFSZSA-N 0 0 303.370 0.910 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1C ZINC000187977574 524994075 /nfs/dbraw/zinc/99/40/75/524994075.db2.gz JYCIQRRMIBRZRB-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000188978815 525016808 /nfs/dbraw/zinc/01/68/08/525016808.db2.gz WEKITUULZNFUIF-DGCLKSJQSA-N 0 0 306.366 0.410 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1C ZINC000113298997 525076602 /nfs/dbraw/zinc/07/66/02/525076602.db2.gz LWGXNXXIOSLZOR-NSHDSACASA-N 0 0 322.390 0.888 10 0 DCAERN Cc1cc(N2CC[C@@H](Sc3nnc(N)n3C)C2=O)n(C)n1 ZINC000159173801 525092127 /nfs/dbraw/zinc/09/21/27/525092127.db2.gz WHFSOTIEDYXBCY-MRVPVSSYSA-N 0 0 307.383 0.337 10 0 DCAERN Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249584165 525158750 /nfs/dbraw/zinc/15/87/50/525158750.db2.gz SIDPHEBNRAZXBK-JKSUJKDBSA-N 0 0 319.449 0.998 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCO[C@@]4(CCOC4)C3)cc12 ZINC000186053936 525477385 /nfs/dbraw/zinc/47/73/85/525477385.db2.gz DOAHHODQUQPLBX-HNNXBMFYSA-N 0 0 302.334 0.898 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000245415476 525519281 /nfs/dbraw/zinc/51/92/81/525519281.db2.gz DHVXZZTVRKRDKR-SDDRHHMPSA-N 0 0 314.411 0.421 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1nncn1-c1ccccc1 ZINC000189992666 525578344 /nfs/dbraw/zinc/57/83/44/525578344.db2.gz AXGHMDDGHNWFIX-AAEUAGOBSA-N 0 0 322.390 0.864 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000120355809 525585333 /nfs/dbraw/zinc/58/53/33/525585333.db2.gz RSJPUUOMOIUUGD-KOLCDFICSA-N 0 0 318.420 0.586 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000190116486 525594391 /nfs/dbraw/zinc/59/43/91/525594391.db2.gz LIJQUJCRIXQLHY-TVQRCGJNSA-N 0 0 303.355 0.915 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000283652053 534876809 /nfs/dbraw/zinc/87/68/09/534876809.db2.gz WYJPLWHDVYFMBE-SNVBAGLBSA-N 0 0 324.402 0.960 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C(N)=O)C(C)C)no2)c1 ZINC000132334984 526265497 /nfs/dbraw/zinc/26/54/97/526265497.db2.gz JKNCNRUULQJALP-GFCCVEGCSA-N 0 0 305.338 0.468 10 0 DCAERN O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CC(CO)C1 ZINC000184216733 526279560 /nfs/dbraw/zinc/27/95/60/526279560.db2.gz IYLNIVXNGTZVAE-UHFFFAOYSA-N 0 0 301.346 0.616 10 0 DCAERN O=C(CCCCc1c[nH]nn1)N1CCN(c2cccnn2)CC1 ZINC000157731069 526427381 /nfs/dbraw/zinc/42/73/81/526427381.db2.gz KWBVTJWTVREEDO-UHFFFAOYSA-N 0 0 315.381 0.656 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1 ZINC000331215733 526469991 /nfs/dbraw/zinc/46/99/91/526469991.db2.gz VMLHJLIZZMAVQI-XHDPSFHLSA-N 0 0 306.362 0.891 10 0 DCAERN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000156874624 526561422 /nfs/dbraw/zinc/56/14/22/526561422.db2.gz LEHIGUDVPGPWME-QMMMGPOBSA-N 0 0 320.349 0.821 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000330742857 526595430 /nfs/dbraw/zinc/59/54/30/526595430.db2.gz QVPWGFGZFNHVSR-LBPRGKRZSA-N 0 0 311.363 0.283 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2ccc(C)c(C)c2)C1 ZINC000330896038 526649306 /nfs/dbraw/zinc/64/93/06/526649306.db2.gz LCSMVMDEHXSKKJ-OAHLLOKOSA-N 0 0 317.389 0.770 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000330905016 526679089 /nfs/dbraw/zinc/67/90/89/526679089.db2.gz AQVZNWHOFQROMB-KOLCDFICSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cn2ccccc2n1 ZINC000331804546 526681226 /nfs/dbraw/zinc/68/12/26/526681226.db2.gz MJUPEMHEBKGNRF-LBPRGKRZSA-N 0 0 304.375 0.872 10 0 DCAERN CN1CC[C@@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC000285655338 536469468 /nfs/dbraw/zinc/46/94/68/536469468.db2.gz GEHCLZAJHOUAII-QWRGUYRKSA-N 0 0 309.391 0.392 10 0 DCAERN Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000124484888 526883429 /nfs/dbraw/zinc/88/34/29/526883429.db2.gz AUOODLCRUBRYSX-SSDOTTSWSA-N 0 0 306.244 0.405 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3ncccc3C2)C1 ZINC000366305692 527002126 /nfs/dbraw/zinc/00/21/26/527002126.db2.gz BLOFFASOKZXIRV-ZDUSSCGKSA-N 0 0 302.378 0.164 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000119975654 527039341 /nfs/dbraw/zinc/03/93/41/527039341.db2.gz ZDFCYBVYYZDPOG-MLGOLLRUSA-N 0 0 303.362 0.948 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F ZINC000157868716 527085128 /nfs/dbraw/zinc/08/51/28/527085128.db2.gz MOIHAMILZQPHTM-SMDDNHRTSA-N 0 0 312.272 0.709 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCNC(=O)C(C)C ZINC000152733555 527188797 /nfs/dbraw/zinc/18/87/97/527188797.db2.gz BNIXFCLGRUHVGB-GFCCVEGCSA-N 0 0 322.413 0.883 10 0 DCAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCCO2)c1 ZINC000155867638 527304870 /nfs/dbraw/zinc/30/48/70/527304870.db2.gz IEZXALUUHZGDJN-UHFFFAOYSA-N 0 0 308.718 0.904 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C2)cn1 ZINC000116229286 527317234 /nfs/dbraw/zinc/31/72/34/527317234.db2.gz MDQLVDLYWQMOKC-ZDUSSCGKSA-N 0 0 320.393 0.375 10 0 DCAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCNC(=O)C1 ZINC000113141332 527329475 /nfs/dbraw/zinc/32/94/75/527329475.db2.gz CSZFNVKPCJNAMV-UHFFFAOYSA-N 0 0 303.293 0.982 10 0 DCAERN O=C(Cn1cccn1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159163824 527387498 /nfs/dbraw/zinc/38/74/98/527387498.db2.gz JOYSWXYABIJESJ-QWHCGFSZSA-N 0 0 305.334 0.827 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCCOCC(F)F ZINC000191522850 527403589 /nfs/dbraw/zinc/40/35/89/527403589.db2.gz JGNKKSQGRLHPOM-UHFFFAOYSA-N 0 0 311.288 0.794 10 0 DCAERN Cn1nc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1OC(F)F ZINC000186077116 527542230 /nfs/dbraw/zinc/54/22/30/527542230.db2.gz XGRRRHRPUHZZNF-ZDUSSCGKSA-N 0 0 317.292 0.653 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](F)C[C@H]1CO ZINC000364167145 527564291 /nfs/dbraw/zinc/56/42/91/527564291.db2.gz GUZYPZJCMDFVSV-SFYZADRCSA-N 0 0 309.750 0.411 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC(OCCO)CC1 ZINC000228065779 527572088 /nfs/dbraw/zinc/57/20/88/527572088.db2.gz LADZRUFECBOEAW-UHFFFAOYSA-N 0 0 323.802 0.236 10 0 DCAERN Cn1nccc1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000184919540 527610610 /nfs/dbraw/zinc/61/06/10/527610610.db2.gz UKDWYFIXSQTQLF-ZDUSSCGKSA-N 0 0 302.334 0.913 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3CCO[C@@H](CO)C3)c12 ZINC000269122743 527683545 /nfs/dbraw/zinc/68/35/45/527683545.db2.gz IBEXLKLTXYDPQN-LLVKDONJSA-N 0 0 304.350 0.418 10 0 DCAERN CC(C)COC[C@@H](O)CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000159263622 528107338 /nfs/dbraw/zinc/10/73/38/528107338.db2.gz CHTSKSOTWAPSLQ-STQMWFEESA-N 0 0 308.444 0.586 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1cccnc1 ZINC000188987675 528578057 /nfs/dbraw/zinc/57/80/57/528578057.db2.gz YUOXNGDBBIILTE-ZDUSSCGKSA-N 0 0 318.377 0.185 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000163657446 528679363 /nfs/dbraw/zinc/67/93/63/528679363.db2.gz DCXDBTMRTMZJLR-MNOVXSKESA-N 0 0 321.381 0.515 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](CC)[C@H](O)C1 ZINC000400295982 528805894 /nfs/dbraw/zinc/80/58/94/528805894.db2.gz QOZQTBSJQQDPFW-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN CCCn1ncnc1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299741047 528899615 /nfs/dbraw/zinc/89/96/15/528899615.db2.gz CKDJEIBRRYWCDT-RKDXNWHRSA-N 0 0 305.304 0.784 10 0 DCAERN CC1(C)CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000129260100 528906401 /nfs/dbraw/zinc/90/64/01/528906401.db2.gz VOFOQMSZRILAGM-UHFFFAOYSA-N 0 0 317.455 0.987 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)CC1=O ZINC000284731751 535771392 /nfs/dbraw/zinc/77/13/92/535771392.db2.gz TYKFGQLFKAPDKX-NWDGAFQWSA-N 0 0 321.381 0.062 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000284607991 536786444 /nfs/dbraw/zinc/78/64/44/536786444.db2.gz RPLMCAZRYGIREG-QWHCGFSZSA-N 0 0 320.393 0.735 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCc2ncn(C)n2)c1 ZINC000457627332 536880854 /nfs/dbraw/zinc/88/08/54/536880854.db2.gz IFOBFUWNHACGSP-UHFFFAOYSA-N 0 0 302.334 0.883 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCCOCC2)[C@H]1c1cccnc1 ZINC000074535464 545669839 /nfs/dbraw/zinc/66/98/39/545669839.db2.gz BVOZNWKJAMPYNH-UKRRQHHQSA-N 0 0 303.362 0.850 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(c2cnn(C)c2)CC1 ZINC000074773635 545671617 /nfs/dbraw/zinc/67/16/17/545671617.db2.gz HVVGVQHFFJHJSN-UHFFFAOYSA-N 0 0 300.366 0.501 10 0 DCAERN CCC1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CCC1 ZINC000084254471 545701175 /nfs/dbraw/zinc/70/11/75/545701175.db2.gz IYXAWZLLPDXOMG-UHFFFAOYSA-N 0 0 303.366 0.827 10 0 DCAERN NC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000119551660 545739453 /nfs/dbraw/zinc/73/94/53/545739453.db2.gz HJFKXNUQBXEIKS-MNOVXSKESA-N 0 0 302.330 0.695 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccnnc3)CCO2)n1 ZINC000131636386 545791878 /nfs/dbraw/zinc/79/18/78/545791878.db2.gz KIPOJROUQOAZPL-AWEZNQCLSA-N 0 0 301.350 0.831 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)c2coc(Br)c2)O1 ZINC000152575243 545826855 /nfs/dbraw/zinc/82/68/55/545826855.db2.gz FDDNGKBMOUEARK-JGVFFNPUSA-N 0 0 317.139 0.805 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CC[C@@H]1CCCO1 ZINC000157134806 545849715 /nfs/dbraw/zinc/84/97/15/545849715.db2.gz ZRISNJAOLNSHMZ-UTUOFQBUSA-N 0 0 304.412 0.471 10 0 DCAERN CC1(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC000176639966 545889258 /nfs/dbraw/zinc/88/92/58/545889258.db2.gz VPOPAKFKXPEZFH-UHFFFAOYSA-N 0 0 322.409 0.309 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180559958 545901278 /nfs/dbraw/zinc/90/12/78/545901278.db2.gz RGIFKNLVXSQDEA-LURJTMIESA-N 0 0 302.212 0.637 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)NCc1ccc(Cl)cn1 ZINC000182134026 545903867 /nfs/dbraw/zinc/90/38/67/545903867.db2.gz BLPXNJPWRLZBHJ-UHFFFAOYSA-N 0 0 317.736 0.861 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000188620406 545918433 /nfs/dbraw/zinc/91/84/33/545918433.db2.gz RAOUKEWHCKUEMK-SDDRHHMPSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000193479428 545931421 /nfs/dbraw/zinc/93/14/21/545931421.db2.gz XMTWGWCWZXLYAT-SYQHCUMBSA-N 0 0 312.435 0.855 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 ZINC000252191985 545974784 /nfs/dbraw/zinc/97/47/84/545974784.db2.gz RTQMRGJLUQMCCV-AGIUHOORSA-N 0 0 315.439 0.564 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282177826 545998531 /nfs/dbraw/zinc/99/85/31/545998531.db2.gz ZESMORQJIJVJCW-JTQLQIEISA-N 0 0 310.375 0.740 10 0 DCAERN COc1ccncc1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000333000107 546068514 /nfs/dbraw/zinc/06/85/14/546068514.db2.gz SIYYNYFDNZQKBI-UKRRQHHQSA-N 0 0 320.393 0.705 10 0 DCAERN Cc1nc(C)n(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)C2)n1 ZINC000333509796 546083248 /nfs/dbraw/zinc/08/32/48/546083248.db2.gz UCXOMFJMDJABLL-IACUBPJLSA-N 0 0 306.366 0.330 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](N[C@H]1CCCOC1)C(F)(F)F ZINC000336811424 546098092 /nfs/dbraw/zinc/09/80/92/546098092.db2.gz MXLFTAZAARFKRO-DTWKUNHWSA-N 0 0 304.334 0.577 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000401871889 546226149 /nfs/dbraw/zinc/22/61/49/546226149.db2.gz CKQJIBGEYGAAKV-CYBMUJFWSA-N 0 0 303.355 0.988 10 0 DCAERN O=S(=O)(c1ccc(Cl)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405280814 546227733 /nfs/dbraw/zinc/22/77/33/546227733.db2.gz VKDYXFCHHFJNOT-NWDGAFQWSA-N 0 0 316.810 0.780 10 0 DCAERN C[C@H](O)[C@H](C)n1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000530798801 546288530 /nfs/dbraw/zinc/28/85/30/546288530.db2.gz MXRABYPWVINIAC-UWVGGRQHSA-N 0 0 315.333 0.454 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1c1cn[nH]n1 ZINC000622167120 546324413 /nfs/dbraw/zinc/32/44/13/546324413.db2.gz KZFWVMFUWYMENN-GXFFZTMASA-N 0 0 312.333 0.936 10 0 DCAERN CCc1ocnc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094523 661159987 /nfs/dbraw/zinc/15/99/87/661159987.db2.gz YWDXPOJHDMCTGZ-CMPLNLGQSA-N 0 0 306.322 0.547 10 0 DCAERN Cc1nc(C)n(CCCC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)n1 ZINC000888095462 661166711 /nfs/dbraw/zinc/16/67/11/661166711.db2.gz YXDDDSJNYDLOFG-ZIAGYGMSSA-N 0 0 322.409 0.721 10 0 DCAERN CN(C)Cc1csc(CNC(=O)CNCC(F)(F)F)n1 ZINC000722407273 661171874 /nfs/dbraw/zinc/17/18/74/661171874.db2.gz UYBATVXSUUBFSC-UHFFFAOYSA-N 0 0 310.345 0.973 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCNS(C)(=O)=O)C1 ZINC000888102555 661183263 /nfs/dbraw/zinc/18/32/63/661183263.db2.gz ALSYBWHKNWVMGD-NEPJUHHUSA-N 0 0 316.427 0.338 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@@H]2CNOC2)cc1OC ZINC000722501217 661281984 /nfs/dbraw/zinc/28/19/84/661281984.db2.gz OMISTHKXMNCJQQ-SSDOTTSWSA-N 0 0 306.315 0.025 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000356356541 665519113 /nfs/dbraw/zinc/51/91/13/665519113.db2.gz VKHJOWQTFAJRCC-QWHCGFSZSA-N 0 0 312.366 0.897 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC2(CCC2)CC1 ZINC000308705066 657847970 /nfs/dbraw/zinc/84/79/70/657847970.db2.gz YLDRCCQFUMFDKC-LBPRGKRZSA-N 0 0 300.424 0.556 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CNCCS2(=O)=O)[C@@H]1C ZINC000725018426 658022651 /nfs/dbraw/zinc/02/26/51/658022651.db2.gz NZPBYNMDVCGTNI-NDBYEHHHSA-N 0 0 302.440 0.704 10 0 DCAERN CC(C)(C)SCCNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725022882 658024600 /nfs/dbraw/zinc/02/46/00/658024600.db2.gz RWNCRDUSOJZZIX-SNVBAGLBSA-N 0 0 308.469 0.411 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724438460 658276639 /nfs/dbraw/zinc/27/66/39/658276639.db2.gz OURBHKSNUOOPHN-UWVGGRQHSA-N 0 0 302.396 0.874 10 0 DCAERN CC[C@@H](NC(=O)c1c(Br)nnn1C)C(=O)OC ZINC000310154395 658491602 /nfs/dbraw/zinc/49/16/02/658491602.db2.gz PXOXOROTRCWTSA-RXMQYKEDSA-N 0 0 305.132 0.259 10 0 DCAERN [NH3+]C[C@H]1CCN1c1nc[n-]c(=O)c1I ZINC000757145013 658518405 /nfs/dbraw/zinc/51/84/05/658518405.db2.gz KJUHGQHHTCASAH-RXMQYKEDSA-N 0 0 306.107 0.324 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC[C@@H]2CC(=O)N(C)C2)c1Cl ZINC000723353163 658639555 /nfs/dbraw/zinc/63/95/55/658639555.db2.gz QWKGPRUSCKMVOK-MRVPVSSYSA-N 0 0 320.802 0.220 10 0 DCAERN NCc1nc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000262179564 658679030 /nfs/dbraw/zinc/67/90/30/658679030.db2.gz INVQWFLWTNNQBI-MNOVXSKESA-N 0 0 324.406 0.914 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(CCOCC)[C@@H](C)C1 ZINC000247215679 658712972 /nfs/dbraw/zinc/71/29/72/658712972.db2.gz QCUHBCROXCGZPN-AWEZNQCLSA-N 0 0 306.472 0.854 10 0 DCAERN CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)C1(CO)COC1 ZINC000888077091 658717327 /nfs/dbraw/zinc/71/73/27/658717327.db2.gz IKFCGOKBRCIABS-GXTWGEPZSA-N 0 0 323.393 0.496 10 0 DCAERN Cc1nc(CC(=O)NCCCN2CCCS2(=O)=O)cs1 ZINC000725761129 658772159 /nfs/dbraw/zinc/77/21/59/658772159.db2.gz NIQIEOIVPZBTQL-UHFFFAOYSA-N 0 0 317.436 0.536 10 0 DCAERN CCC1(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)COC1 ZINC000255364681 658841065 /nfs/dbraw/zinc/84/10/65/658841065.db2.gz PEYRUCJNQIDTIS-WAYWQWQTSA-N 0 0 308.334 0.067 10 0 DCAERN O=S(=O)(NC1(CO)CC1)c1c(Cl)nc2ccccn21 ZINC000164236475 659115250 /nfs/dbraw/zinc/11/52/50/659115250.db2.gz ZDNYDURXSMIEBK-UHFFFAOYSA-N 0 0 301.755 0.791 10 0 DCAERN O=C1[C@H](N2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916568 659414506 /nfs/dbraw/zinc/41/45/06/659414506.db2.gz YXKTYQIRNRVQAD-ZBFHGGJFSA-N 0 0 310.394 0.258 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)OCCn1ccccc1=O ZINC000194206762 659486910 /nfs/dbraw/zinc/48/69/10/659486910.db2.gz BZMQRWQBUCTVHJ-AWEZNQCLSA-N 0 0 308.378 0.892 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)OCCc2cnccn2)CC1 ZINC000194256748 659640674 /nfs/dbraw/zinc/64/06/74/659640674.db2.gz MOMWWZVKSZNFEZ-UHFFFAOYSA-N 0 0 306.366 0.956 10 0 DCAERN C[C@H](O)c1cccc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000893760349 661405402 /nfs/dbraw/zinc/40/54/02/661405402.db2.gz VKSPNOUAVAAQDR-WFASDCNBSA-N 0 0 303.366 0.758 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc(-c3cccc(F)c3)no2)C1 ZINC000126124514 661451350 /nfs/dbraw/zinc/45/13/50/661451350.db2.gz FIBRISSUUAQXQA-NSHDSACASA-N 0 0 311.338 0.805 10 0 DCAERN CC(C)C[C@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000726278518 661655466 /nfs/dbraw/zinc/65/54/66/661655466.db2.gz WMQWOQWUINFMSB-LBPRGKRZSA-N 0 0 321.443 0.118 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000726773759 661667764 /nfs/dbraw/zinc/66/77/64/661667764.db2.gz RWXADXAJHPOIIF-LBPRGKRZSA-N 0 0 314.407 0.519 10 0 DCAERN O=C(COC(=O)C1CC(=O)NC(=O)C1)c1ccc2c(c1)OCO2 ZINC000726822489 661675772 /nfs/dbraw/zinc/67/57/72/661675772.db2.gz XLBYIARDPBTFON-UHFFFAOYSA-N 0 0 319.269 0.194 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)Cc1ccncc1 ZINC000357015158 665847585 /nfs/dbraw/zinc/84/75/85/665847585.db2.gz OLHHXNSLFSDMEK-QWHCGFSZSA-N 0 0 309.391 0.023 10 0 DCAERN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CSC(=O)N1 ZINC000098018144 662267960 /nfs/dbraw/zinc/26/79/60/662267960.db2.gz WDCBGAAMYOROTF-VHSXEESVSA-N 0 0 316.379 0.382 10 0 DCAERN COC(=O)[C@H]1CN(Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000728565229 662406049 /nfs/dbraw/zinc/40/60/49/662406049.db2.gz QANJLTMLRDMBHH-CYBMUJFWSA-N 0 0 305.334 0.171 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1CC(F)F ZINC000343439554 662834258 /nfs/dbraw/zinc/83/42/58/662834258.db2.gz KWPCMWBOUOMPDN-NXEZZACHSA-N 0 0 308.350 0.790 10 0 DCAERN COC(=O)C1CCC(NC(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000730132013 663044957 /nfs/dbraw/zinc/04/49/57/663044957.db2.gz YXGSRTYLWLIWED-HACHORDNSA-N 0 0 312.288 0.941 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][nH]1 ZINC000898868901 663111343 /nfs/dbraw/zinc/11/13/43/663111343.db2.gz XZJHPPDYCHGBOU-GXSJLCMTSA-N 0 0 306.366 0.941 10 0 DCAERN CO[C@@]1(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CCOC1 ZINC000899083534 663122924 /nfs/dbraw/zinc/12/29/24/663122924.db2.gz BUCFZHVHMOEESI-WFASDCNBSA-N 0 0 306.366 0.734 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000346403639 663161399 /nfs/dbraw/zinc/16/13/99/663161399.db2.gz MTDCPXHTFCXUMO-NXEZZACHSA-N 0 0 300.380 0.484 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000346514656 663206053 /nfs/dbraw/zinc/20/60/53/663206053.db2.gz PVKHHPPTUFXGPF-BQBZGAKWSA-N 0 0 319.155 0.657 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)[C@H](O)C(C)(C)O)CC2)cn1 ZINC000900596197 663258848 /nfs/dbraw/zinc/25/88/48/663258848.db2.gz FKVGNOSYMFVBNU-AWEZNQCLSA-N 0 0 324.425 0.069 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1OCCN(C)C1=O ZINC000900959065 663297622 /nfs/dbraw/zinc/29/76/22/663297622.db2.gz JTYWXLOKUGEBGV-QWHCGFSZSA-N 0 0 306.366 0.040 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000347170276 663430614 /nfs/dbraw/zinc/43/06/14/663430614.db2.gz NVPPKEHLLPMFBV-LBPRGKRZSA-N 0 0 322.390 0.715 10 0 DCAERN CC(=O)NC1CN(C(=O)c2csc(Br)n2)C1 ZINC000822035853 671448794 /nfs/dbraw/zinc/44/87/94/671448794.db2.gz SCOCSYPGPVJMMZ-UHFFFAOYSA-N 0 0 304.169 0.866 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@@H]1CCC[C@H](C)C1 ZINC000031471157 663583585 /nfs/dbraw/zinc/58/35/85/663583585.db2.gz MDZAXGRKXNNNCP-LSDHHAIUSA-N 0 0 303.406 0.366 10 0 DCAERN CNc1nc(C)ccc1C(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000908087539 663731345 /nfs/dbraw/zinc/73/13/45/663731345.db2.gz WKPJGOOMWQUHCT-LLVKDONJSA-N 0 0 302.338 0.764 10 0 DCAERN Cc1ccoc1CN(C)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000908358265 663751868 /nfs/dbraw/zinc/75/18/68/663751868.db2.gz UTZNONJDROGHSE-VXGBXAGGSA-N 0 0 306.322 0.384 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)N1CCCC1 ZINC000908405941 663754163 /nfs/dbraw/zinc/75/41/63/663754163.db2.gz DEFZKSXJZRDPMB-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909160701 663782815 /nfs/dbraw/zinc/78/28/15/663782815.db2.gz SXTRBWXBFUPWQK-JKIFEVAISA-N 0 0 313.357 0.851 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)cc1C1CC1 ZINC000909167061 663785333 /nfs/dbraw/zinc/78/53/33/663785333.db2.gz DXCBYCHQFFFZAR-HONMWMINSA-N 0 0 301.350 0.598 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000438133485 664051235 /nfs/dbraw/zinc/05/12/35/664051235.db2.gz UVNWJXNYVVCGCD-APBUJDDRSA-N 0 0 304.437 0.325 10 0 DCAERN O=C([C@@H]1CCCN1c1ncccn1)N1CC[C@H](n2ccnn2)C1 ZINC000911822348 664112788 /nfs/dbraw/zinc/11/27/88/664112788.db2.gz PQMIFRVJCYKTKA-STQMWFEESA-N 0 0 313.365 0.511 10 0 DCAERN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCOC[C@H]1CO ZINC000912420691 664174056 /nfs/dbraw/zinc/17/40/56/664174056.db2.gz MFOFMYCWZBRQRR-LLVKDONJSA-N 0 0 323.324 0.189 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912422561 664174310 /nfs/dbraw/zinc/17/43/10/664174310.db2.gz PIYZJFVCJAXDJU-TZMCWYRMSA-N 0 0 304.346 0.259 10 0 DCAERN C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)CCCS(N)(=O)=O ZINC000912529883 664184339 /nfs/dbraw/zinc/18/43/39/664184339.db2.gz OCLRPPLELRXECR-IONNQARKSA-N 0 0 318.317 0.233 10 0 DCAERN CS(=O)(=O)NCCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000044784127 664371492 /nfs/dbraw/zinc/37/14/92/664371492.db2.gz JWEKLLGPLYIOEN-DHZHZOJOSA-N 0 0 318.420 0.516 10 0 DCAERN Cn1nccc1C(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223608812 664417754 /nfs/dbraw/zinc/41/77/54/664417754.db2.gz KSGITMGWTVUVOO-UHFFFAOYSA-N 0 0 322.409 0.279 10 0 DCAERN O=C(c1ccnc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000225973210 664497037 /nfs/dbraw/zinc/49/70/37/664497037.db2.gz GHOCCEWUHPGWBJ-SECBINFHSA-N 0 0 301.140 0.677 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCCC(F)(F)F)c(=O)n(C)c1=O ZINC000157839806 664510997 /nfs/dbraw/zinc/51/09/97/664510997.db2.gz VTQLLMDLJMTIJX-SNAWJCMRSA-N 0 0 320.267 0.983 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000228059920 664544376 /nfs/dbraw/zinc/54/43/76/664544376.db2.gz CHJCLPLCMKKPRG-UHFFFAOYSA-N 0 0 321.786 0.601 10 0 DCAERN COC[C@H](C)OC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000174268401 664638043 /nfs/dbraw/zinc/63/80/43/664638043.db2.gz SMYQGCVPARQLME-ZKYQVNSYSA-N 0 0 309.366 0.908 10 0 DCAERN O=C(CCC(=O)N1CCOc2ccccc21)NCc1nc[nH]n1 ZINC000730279920 664675189 /nfs/dbraw/zinc/67/51/89/664675189.db2.gz SLNFVISBCFBZET-UHFFFAOYSA-N 0 0 315.333 0.627 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccccc1 ZINC000730307450 664681903 /nfs/dbraw/zinc/68/19/03/664681903.db2.gz NMUZCXUGXFDIEY-VXGBXAGGSA-N 0 0 308.359 0.678 10 0 DCAERN C[C@@H]1CN(CN2c3ccccc3C(=O)C2=O)CCS1(=O)=O ZINC000151604092 664707647 /nfs/dbraw/zinc/70/76/47/664707647.db2.gz ZENIEJHSRYGQGJ-SNVBAGLBSA-N 0 0 308.359 0.292 10 0 DCAERN C[C@@H]1CN(Cn2nc(C3CC3)n(C)c2=S)CCS1(=O)=O ZINC000151597136 664708057 /nfs/dbraw/zinc/70/80/57/664708057.db2.gz FXHNTUWOYMGULF-SECBINFHSA-N 0 0 316.452 0.905 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2cccc(F)c2)c(=O)n(C)c1=O ZINC000029965497 664710464 /nfs/dbraw/zinc/71/04/64/664710464.db2.gz VFNYEQOXCIEPBG-VOTSOKGWSA-N 0 0 318.304 0.980 10 0 DCAERN Cc1cnn([C@H]2CCCN(CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893364 664778532 /nfs/dbraw/zinc/77/85/32/664778532.db2.gz DPFNSVBOMZQANY-NSHDSACASA-N 0 0 305.338 0.207 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(CN1C(=O)C(=O)N(C)C1=O)C2 ZINC000153013391 664787316 /nfs/dbraw/zinc/78/73/16/664787316.db2.gz XSKAWARQJBHLQG-UHFFFAOYSA-N 0 0 319.365 0.280 10 0 DCAERN COCCCNC(=O)COC(=O)Cn1ncc2ccccc21 ZINC000730638901 664798891 /nfs/dbraw/zinc/79/88/91/664798891.db2.gz SIHIBJPWOIHOMG-UHFFFAOYSA-N 0 0 305.334 0.732 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000741423282 664841809 /nfs/dbraw/zinc/84/18/09/664841809.db2.gz SVHVXPLPMWQDSN-OAQYLSRUSA-N 0 0 308.367 0.552 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000732222715 664909451 /nfs/dbraw/zinc/90/94/51/664909451.db2.gz WSXVZLGCUOCCRN-GFCCVEGCSA-N 0 0 320.374 0.802 10 0 DCAERN CC(=O)N1C[C@H](C(=O)NCC2(C)COC2)Oc2ccccc21 ZINC000732951252 665016557 /nfs/dbraw/zinc/01/65/57/665016557.db2.gz XQKRYAQRDNNVRC-CQSZACIVSA-N 0 0 304.346 0.953 10 0 DCAERN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cnc2n1CCCC2 ZINC000067934091 665380342 /nfs/dbraw/zinc/38/03/42/665380342.db2.gz UFLHPBHSOSSARB-LBPRGKRZSA-N 0 0 316.365 0.628 10 0 DCAERN O=C1c2ccccc2N(CN2CCO[C@@]3(CCOC3)C2)C1=O ZINC000184290494 666194374 /nfs/dbraw/zinc/19/43/74/666194374.db2.gz JFYJKZIFAKBUCU-INIZCTEOSA-N 0 0 302.330 0.665 10 0 DCAERN C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(F)(F)F ZINC000255056710 666214749 /nfs/dbraw/zinc/21/47/49/666214749.db2.gz LQLJTNNFZURCLG-MJSGSUOKSA-N 0 0 306.240 0.591 10 0 DCAERN COc1cc(N2CCN(Cn3cc[nH]c3=S)CC2)ncn1 ZINC000185607629 666528342 /nfs/dbraw/zinc/52/83/42/666528342.db2.gz ORJUAKCHZGLMJX-UHFFFAOYSA-N 0 0 306.395 0.750 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCCCN1CCOC1=O ZINC000733489368 666748916 /nfs/dbraw/zinc/74/89/16/666748916.db2.gz ROTCDKHSIKHMBJ-JTQLQIEISA-N 0 0 302.352 0.293 10 0 DCAERN CC(=O)N1CCC(C(=O)OCCOCCn2cccn2)CC1 ZINC000733693696 666799849 /nfs/dbraw/zinc/79/98/49/666799849.db2.gz KSFOXVQHKKRGNJ-UHFFFAOYSA-N 0 0 309.366 0.701 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)OCc1ccccc1 ZINC000733882090 666823847 /nfs/dbraw/zinc/82/38/47/666823847.db2.gz JRCYLBNVAUWCJE-NRFANRHFSA-N 0 0 312.391 0.798 10 0 DCAERN CCOC(=O)N1CCC(C(=O)NCC[S@](=O)CC)CC1 ZINC000733961938 666832216 /nfs/dbraw/zinc/83/22/16/666832216.db2.gz JASZQXQSXMZQFD-HXUWFJFHSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000733962648 666832278 /nfs/dbraw/zinc/83/22/78/666832278.db2.gz MTGDZNDVTGUQPY-LAJNKCICSA-N 0 0 311.407 0.671 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000733963129 666832815 /nfs/dbraw/zinc/83/28/15/666832815.db2.gz URODXMDTGBBHDJ-QFIPXVFZSA-N 0 0 319.386 0.940 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@H](CO)C1CC1 ZINC000734228745 666858174 /nfs/dbraw/zinc/85/81/74/666858174.db2.gz WTTSFJQSMUUPGY-CYBMUJFWSA-N 0 0 304.346 0.837 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N[C@H](CO)C1CC1 ZINC000734230602 666858873 /nfs/dbraw/zinc/85/88/73/666858873.db2.gz WXYORIRWHZOOIJ-CYBMUJFWSA-N 0 0 318.377 0.507 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000735091341 666950488 /nfs/dbraw/zinc/95/04/88/666950488.db2.gz YMIRVGWGVLCFSM-QFIPXVFZSA-N 0 0 321.406 0.835 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000735110601 666954850 /nfs/dbraw/zinc/95/48/50/666954850.db2.gz NRDBXDSTFVKVDZ-NRFANRHFSA-N 0 0 317.455 0.703 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000735198342 666966126 /nfs/dbraw/zinc/96/61/26/666966126.db2.gz HHCKVYXNWZNWBH-OAQYLSRUSA-N 0 0 308.403 0.999 10 0 DCAERN COC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702816251 666998979 /nfs/dbraw/zinc/99/89/79/666998979.db2.gz QYXHDOJDHFHDFR-WDEREUQCSA-N 0 0 316.398 0.755 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000702817682 666999734 /nfs/dbraw/zinc/99/97/34/666999734.db2.gz UCLHJVDZWRLWIQ-TUAOUCFPSA-N 0 0 314.382 0.509 10 0 DCAERN Cn1cnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000702820716 667000095 /nfs/dbraw/zinc/00/00/95/667000095.db2.gz WNGQCNHBGNFUII-JQWIXIFHSA-N 0 0 324.381 0.378 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cn2cccn2)C1 ZINC000702819920 667000825 /nfs/dbraw/zinc/00/08/25/667000825.db2.gz RSMGWXGELUTVIU-NWDGAFQWSA-N 0 0 324.381 0.227 10 0 DCAERN C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000862149688 667022668 /nfs/dbraw/zinc/02/26/68/667022668.db2.gz WXRGBWFFZAAKMW-RWHSBRQSSA-N 0 0 314.183 0.847 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3n2CCC3)cn1 ZINC000862921286 667091827 /nfs/dbraw/zinc/09/18/27/667091827.db2.gz MJCQAWIHOXGIPP-WCQYABFASA-N 0 0 317.349 0.139 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)NCCNC(N)=O)cc1 ZINC000736108406 667098088 /nfs/dbraw/zinc/09/80/88/667098088.db2.gz ZZIHLTXYDNBZIK-UHFFFAOYSA-N 0 0 307.350 0.372 10 0 DCAERN CC(=O)N1C[C@H](C(=O)NCc2noc(C)n2)Oc2ccccc21 ZINC000736091206 667101528 /nfs/dbraw/zinc/10/15/28/667101528.db2.gz FDGOBFDNTBAIIU-CYBMUJFWSA-N 0 0 316.317 0.808 10 0 DCAERN O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1CNC(=O)C1 ZINC000119210287 667106934 /nfs/dbraw/zinc/10/69/34/667106934.db2.gz UQVVZLOAMZXMOQ-JTQLQIEISA-N 0 0 308.300 0.940 10 0 DCAERN C[C@@H]1CN(Cn2nc(C(C)(C)C)[nH]c2=S)C[C@@H](C(N)=O)O1 ZINC000120199204 667275729 /nfs/dbraw/zinc/27/57/29/667275729.db2.gz UROYMJJCMTZCFB-BDAKNGLRSA-N 0 0 313.427 0.396 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@H]1CC=CCC1 ZINC000706834917 667425580 /nfs/dbraw/zinc/42/55/80/667425580.db2.gz DBIWGJBCMZBRCR-QWHCGFSZSA-N 0 0 300.424 0.626 10 0 DCAERN O=C1CCC(S(=O)(=O)NCCOCC(F)(F)F)CC1 ZINC000708221243 667442389 /nfs/dbraw/zinc/44/23/89/667442389.db2.gz ZTSOADVTEJFADZ-UHFFFAOYSA-N 0 0 303.302 0.996 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000709500922 667445259 /nfs/dbraw/zinc/44/52/59/667445259.db2.gz GVCJFWYKUCSSPE-JTQLQIEISA-N 0 0 319.814 0.686 10 0 DCAERN Cn1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000074115696 667452834 /nfs/dbraw/zinc/45/28/34/667452834.db2.gz SJIFPNUVQASXOO-UHFFFAOYSA-N 0 0 316.273 0.368 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)COc1ccc(Br)cc1 ZINC000717303532 667543919 /nfs/dbraw/zinc/54/39/19/667543919.db2.gz GUGBEXMTBZYETG-KCJUWKMLSA-N 0 0 318.167 0.686 10 0 DCAERN Nc1ccnc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000135155755 667573154 /nfs/dbraw/zinc/57/31/54/667573154.db2.gz AVIILWOGHOVCJR-RYUDHWBXSA-N 0 0 304.350 0.976 10 0 DCAERN C[C@@H]1c2sccc2CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000712275956 667582921 /nfs/dbraw/zinc/58/29/21/667582921.db2.gz GCNHNUQNFRAIRX-SNVBAGLBSA-N 0 0 301.437 0.817 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCn3ccnc3C2)C1=O ZINC000886075334 667728918 /nfs/dbraw/zinc/72/89/18/667728918.db2.gz JEBLEXLFVRCOSM-LBPRGKRZSA-N 0 0 306.366 0.253 10 0 DCAERN CN(C)C(=O)c1ccc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nc1 ZINC000886089099 667730721 /nfs/dbraw/zinc/73/07/21/667730721.db2.gz XLMAKMICOARKKE-OUCADQQQSA-N 0 0 301.350 0.766 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000741423015 667771007 /nfs/dbraw/zinc/77/10/07/667771007.db2.gz PINCNPOTWRQHOL-QKVFXAPYSA-N 0 0 314.411 0.952 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@@H](O)[C@H](C)O)c1 ZINC000717412510 667789561 /nfs/dbraw/zinc/78/95/61/667789561.db2.gz KUAAPGSRFWFMKM-WRWORJQWSA-N 0 0 318.167 0.929 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207953 667804874 /nfs/dbraw/zinc/80/48/74/667804874.db2.gz ZIDBAXUKILZGIX-UWVGGRQHSA-N 0 0 300.384 0.705 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cn(CC2CC2)nn1 ZINC000886996544 667830049 /nfs/dbraw/zinc/83/00/49/667830049.db2.gz YPNFAQRJYMANJF-CHWSQXEVSA-N 0 0 306.366 0.348 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2noc(C)n2)ncn1 ZINC000124046973 667891211 /nfs/dbraw/zinc/89/12/11/667891211.db2.gz VTLVLZHIYFMKGL-JTQLQIEISA-N 0 0 317.353 0.609 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccsc2)C[C@H](C)O1 ZINC000224034591 667911779 /nfs/dbraw/zinc/91/17/79/667911779.db2.gz FOWSFLSMPCQWMP-JFGNBEQYSA-N 0 0 320.436 0.725 10 0 DCAERN C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000124941829 668169868 /nfs/dbraw/zinc/16/98/68/668169868.db2.gz RKVPZXDUFLVXED-NXEZZACHSA-N 0 0 302.421 0.702 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1ccsc1 ZINC000125025013 668192967 /nfs/dbraw/zinc/19/29/67/668192967.db2.gz NWRIHSBCLOVFGQ-LLVKDONJSA-N 0 0 302.421 0.184 10 0 DCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000125055089 668198778 /nfs/dbraw/zinc/19/87/78/668198778.db2.gz OOQSPTBAFSIMTF-UHFFFAOYSA-N 0 0 322.361 0.998 10 0 DCAERN CS(=O)(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000020555141 668206185 /nfs/dbraw/zinc/20/61/85/668206185.db2.gz GMSDJLQNVHLFMN-UHFFFAOYSA-N 0 0 311.411 0.158 10 0 DCAERN CN(C)c1nc(CN2C(=O)c3ccccc3S2(=O)=O)ns1 ZINC000125283626 668261676 /nfs/dbraw/zinc/26/16/76/668261676.db2.gz OFARPIZVSRJVFO-UHFFFAOYSA-N 0 0 324.387 0.949 10 0 DCAERN CC(C)n1nccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126435325 668582099 /nfs/dbraw/zinc/58/20/99/668582099.db2.gz VPAVLDYZAJICLD-JTQLQIEISA-N 0 0 300.384 0.179 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NC1CCCCCCC1 ZINC000126439974 668583500 /nfs/dbraw/zinc/58/35/00/668583500.db2.gz ZPWIIRXKDXQPSZ-ZDUSSCGKSA-N 0 0 302.440 0.992 10 0 DCAERN CCN(Cc1cccs1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126578111 668627580 /nfs/dbraw/zinc/62/75/80/668627580.db2.gz VFFRYCOZOJDQSN-NSHDSACASA-N 0 0 316.448 0.873 10 0 DCAERN COc1ccc(N(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126719894 668648469 /nfs/dbraw/zinc/64/84/69/668648469.db2.gz DYOVDWGSELHMBU-LLVKDONJSA-N 0 0 312.391 0.435 10 0 DCAERN COc1ccc(F)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126867209 668672520 /nfs/dbraw/zinc/67/25/20/668672520.db2.gz ISIOGJDCFDYVLP-VIFPVBQESA-N 0 0 316.354 0.550 10 0 DCAERN O=C(C[C@H]1CC(=O)NC1=O)N1CCC(c2nccs2)CC1 ZINC000931589998 669226955 /nfs/dbraw/zinc/22/69/55/669226955.db2.gz LJJWHZUAFGPGLH-SNVBAGLBSA-N 0 0 307.375 0.902 10 0 DCAERN CC(C)(C)SCC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000129357706 669425390 /nfs/dbraw/zinc/42/53/90/669425390.db2.gz NTRQDPVTAVHCPD-SNVBAGLBSA-N 0 0 308.469 0.916 10 0 DCAERN COc1ccnc(CN2CCC[C@@](O)(c3cn[nH]n3)C2)c1OC ZINC000794044428 669772180 /nfs/dbraw/zinc/77/21/80/669772180.db2.gz NNNNZIHXGVJNJS-HNNXBMFYSA-N 0 0 319.365 0.701 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000158028696 669923444 /nfs/dbraw/zinc/92/34/44/669923444.db2.gz RPZSKCFWIXJCNZ-CYBMUJFWSA-N 0 0 317.324 0.757 10 0 DCAERN N#Cc1csc(CNCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000395136891 1157951219 /nfs/dbraw/zinc/95/12/19/1157951219.db2.gz DCARSSOMRSWZIJ-UHFFFAOYSA-N 0 0 308.388 0.952 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)Cc1cccc(C)c1 ZINC000191209987 669990759 /nfs/dbraw/zinc/99/07/59/669990759.db2.gz LGTMPSAVJXKDHU-HUUCEWRRSA-N 0 0 322.430 0.936 10 0 DCAERN CC(C)COCCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000191462905 670031522 /nfs/dbraw/zinc/03/15/22/670031522.db2.gz BMCMVDVXELYZHL-AATRIKPKSA-N 0 0 310.350 0.313 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1CCO ZINC000188725179 670041808 /nfs/dbraw/zinc/04/18/08/670041808.db2.gz BIGAONURVRECSL-JTQLQIEISA-N 0 0 319.814 0.422 10 0 DCAERN CCN1CCN(c2ccc(C(=O)OCC(=O)NC)cc2F)CC1 ZINC000076142634 670102746 /nfs/dbraw/zinc/10/27/46/670102746.db2.gz AEVLIDFDNLBWLR-UHFFFAOYSA-N 0 0 323.368 0.870 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@H]1CCCO1 ZINC000076219492 670111296 /nfs/dbraw/zinc/11/12/96/670111296.db2.gz ULTFNPLATNZJKI-SNVBAGLBSA-N 0 0 304.302 0.412 10 0 DCAERN C[C@@H](O)CN1CCN(CC(=O)Nc2cccnc2Cl)CC1 ZINC000189379396 670117210 /nfs/dbraw/zinc/11/72/10/670117210.db2.gz DKJRYTBBBLMOSH-LLVKDONJSA-N 0 0 312.801 0.672 10 0 DCAERN CCN1CN(C(=O)Nc2ccc(-n3nccn3)cc2)CC1=O ZINC000192080572 670125921 /nfs/dbraw/zinc/12/59/21/670125921.db2.gz FHMKIQFIKPVKQE-UHFFFAOYSA-N 0 0 300.322 0.921 10 0 DCAERN COc1ccc2c(c1)C(=O)N(CN1CCS(=O)(=O)[C@H](C)C1)C2 ZINC000189739309 670153012 /nfs/dbraw/zinc/15/30/12/670153012.db2.gz WAXDYKVMYSLZCK-LLVKDONJSA-N 0 0 324.402 0.727 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000713250264 670154645 /nfs/dbraw/zinc/15/46/45/670154645.db2.gz HAVUJVIONCCNRX-BNOWGMLFSA-N 0 0 306.362 0.865 10 0 DCAERN Cn1cc(CN2CC[C@H](NC(N)=O)C2)c(Br)n1 ZINC000713841100 670170004 /nfs/dbraw/zinc/17/00/04/670170004.db2.gz RUYRAJBAXULNQK-QMMMGPOBSA-N 0 0 302.176 0.425 10 0 DCAERN COC[C@H](C)OC[C@H](O)CN(C)CC(C)(C)S(C)(=O)=O ZINC000713967677 670172626 /nfs/dbraw/zinc/17/26/26/670172626.db2.gz VWLXEYYSJFCCBC-NWDGAFQWSA-N 0 0 311.444 0.154 10 0 DCAERN Cn1cc(CN2CCN(CCO)CC2)c(Br)n1 ZINC000714076646 670175677 /nfs/dbraw/zinc/17/56/77/670175677.db2.gz RBEAKAKOBLARQO-UHFFFAOYSA-N 0 0 303.204 0.293 10 0 DCAERN O=C(/C=C\c1cccs1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714297947 670183402 /nfs/dbraw/zinc/18/34/02/670183402.db2.gz LSHGQEVKJXWJOU-ARJAWSKDSA-N 0 0 301.393 0.028 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ncsc2Br)C1 ZINC000714412750 670185888 /nfs/dbraw/zinc/18/58/88/670185888.db2.gz LGJOFBOEALSDGT-UHFFFAOYSA-N 0 0 321.152 0.266 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@H](C)CC2(C)OCCO2)nn1 ZINC000715951969 670226402 /nfs/dbraw/zinc/22/64/02/670226402.db2.gz PTUGKEICPHPHDZ-SNVBAGLBSA-N 0 0 315.395 0.853 10 0 DCAERN O=S(=O)(NCC[C@H](O)C(F)(F)F)c1cccnc1F ZINC000716713497 670270701 /nfs/dbraw/zinc/27/07/01/670270701.db2.gz PWSQYOGKOTWPCZ-ZETCQYMHSA-N 0 0 302.249 0.812 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1C ZINC000190605381 670466104 /nfs/dbraw/zinc/46/61/04/670466104.db2.gz UZTDQORAKOVMLH-LSDHHAIUSA-N 0 0 322.430 0.936 10 0 DCAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@H]3CSCN3C(C)=O)c1-2 ZINC000115499288 670942262 /nfs/dbraw/zinc/94/22/62/670942262.db2.gz VGJRVLLFIVMKCI-SECBINFHSA-N 0 0 322.394 0.719 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@H]1Cn2c(C)nnc2CN1 ZINC000818215275 670989829 /nfs/dbraw/zinc/98/98/29/670989829.db2.gz DZNYRWMWEZSRCU-GFCCVEGCSA-N 0 0 319.340 0.522 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cc(C)on2)cn1 ZINC000818607394 671035824 /nfs/dbraw/zinc/03/58/24/671035824.db2.gz YBJYQYFRQUQOJB-UONOGXRCSA-N 0 0 320.349 0.705 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000716946903 671770814 /nfs/dbraw/zinc/77/08/14/671770814.db2.gz YZBDQIQXMQVZLT-JTQLQIEISA-N 0 0 302.396 0.416 10 0 DCAERN C[C@H](CCCCO)NC(=O)c1c(Br)nnn1C ZINC000398601583 1158128798 /nfs/dbraw/zinc/12/87/98/1158128798.db2.gz UQODFFQGLRRBRZ-SSDOTTSWSA-N 0 0 305.176 0.859 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1ccccc1C(N)=O ZINC000104074875 671906069 /nfs/dbraw/zinc/90/60/69/671906069.db2.gz JTYVTEJMMWHZGS-WDEREUQCSA-N 0 0 318.377 0.310 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000105890661 672247583 /nfs/dbraw/zinc/24/75/83/672247583.db2.gz SDYHOAIOTVEXIH-CYBMUJFWSA-N 0 0 301.412 0.409 10 0 DCAERN Cn1ncc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000389908232 685258061 /nfs/dbraw/zinc/25/80/61/685258061.db2.gz HYSZJSXTYUDZBZ-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN Cn1ncc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000389955761 685258183 /nfs/dbraw/zinc/25/81/83/685258183.db2.gz UGYYNXFSKBEPEV-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000395199512 685268657 /nfs/dbraw/zinc/26/86/57/685268657.db2.gz UZTYPGYTCXOPON-IUCAKERBSA-N 0 0 307.803 0.855 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@H](O)[C@@H](CO)C2)n1 ZINC000396911377 685271793 /nfs/dbraw/zinc/27/17/93/685271793.db2.gz MOEDREFKGHRPMI-ZJUUUORDSA-N 0 0 301.774 0.846 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)c1c(Br)nnn1C ZINC000398568131 685274604 /nfs/dbraw/zinc/27/46/04/685274604.db2.gz NMMYZOWPOGRTOY-JTQLQIEISA-N 0 0 305.176 0.714 10 0 DCAERN C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])S(N)(=O)=O ZINC000398395291 685274651 /nfs/dbraw/zinc/27/46/51/685274651.db2.gz YTBQQKXXWDCYGJ-ZCFIWIBFSA-N 0 0 321.742 0.655 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@H](O)C[C@@]1(C)CO)C1CC1 ZINC000718015319 685304280 /nfs/dbraw/zinc/30/42/80/685304280.db2.gz NHFNQQHVPOIPJH-OCCSQVGLSA-N 0 0 305.440 0.960 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@H](O)C[C@]1(C)CO)C1CC1 ZINC000718015322 685304414 /nfs/dbraw/zinc/30/44/14/685304414.db2.gz NHFNQQHVPOIPJH-TZMCWYRMSA-N 0 0 305.440 0.960 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccc(Cl)nc2)CCS(=O)(=O)C1 ZINC000720847765 685315281 /nfs/dbraw/zinc/31/52/81/685315281.db2.gz SDAHKAGGYMMVJC-GFCCVEGCSA-N 0 0 318.782 0.669 10 0 DCAERN CCN(Cc1ccccc1)C(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725005420 685319446 /nfs/dbraw/zinc/31/94/46/685319446.db2.gz STCWRXBHCLVOMO-CQSZACIVSA-N 0 0 310.419 0.812 10 0 DCAERN COC(=O)CCCS(=O)(=O)N[C@H](CCO)C1CCCC1 ZINC000725059473 685319855 /nfs/dbraw/zinc/31/98/55/685319855.db2.gz YXIXTZOBYMEWRZ-GFCCVEGCSA-N 0 0 307.412 0.800 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)CCn2cccn2)C1 ZINC000121487254 685118286 /nfs/dbraw/zinc/11/82/86/685118286.db2.gz MIJJVKVTLXLABS-CYBMUJFWSA-N 0 0 309.366 0.844 10 0 DCAERN COc1ccc(C(=O)NCC(=O)OCCn2cccn2)cc1 ZINC000140527503 685126695 /nfs/dbraw/zinc/12/66/95/685126695.db2.gz NXIQHXPSSIAMKZ-UHFFFAOYSA-N 0 0 303.318 0.865 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000246151184 685161196 /nfs/dbraw/zinc/16/11/96/685161196.db2.gz GBICACOUDCDOPS-WOPDTQHZSA-N 0 0 312.391 0.014 10 0 DCAERN COC(=O)C[C@@H]1CCCN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246175192 685161938 /nfs/dbraw/zinc/16/19/38/685161938.db2.gz FWHAUBHJMLGJMF-YNEHKIRRSA-N 0 0 306.362 0.923 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000249854824 685184460 /nfs/dbraw/zinc/18/44/60/685184460.db2.gz CVILHVFZRKVQDP-KBPBESRZSA-N 0 0 321.425 0.725 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C2CC2)CC1 ZINC000255897771 685188560 /nfs/dbraw/zinc/18/85/60/685188560.db2.gz QFEPYRXCWJYQKB-ZDUSSCGKSA-N 0 0 317.437 0.995 10 0 DCAERN Cn1ncc(C(=O)N2CCOC[C@H]2CO)c1Br ZINC000379219056 685235339 /nfs/dbraw/zinc/23/53/39/685235339.db2.gz RTEFWYCQRCIMGG-SSDOTTSWSA-N 0 0 304.144 0.016 10 0 DCAERN COCC[C@H](COC)NC(=O)c1c(Br)nnn1C ZINC000381217170 685238616 /nfs/dbraw/zinc/23/86/16/685238616.db2.gz FRYJXTGINQTCMJ-SSDOTTSWSA-N 0 0 321.175 0.359 10 0 DCAERN OCCCN(CCO)c1ncc(I)cn1 ZINC000385536331 685246963 /nfs/dbraw/zinc/24/69/63/685246963.db2.gz HGVJSFNDWBBFIM-UHFFFAOYSA-N 0 0 323.134 0.262 10 0 DCAERN CN(Cc1cc[nH]n1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000400009786 1157682991 /nfs/dbraw/zinc/68/29/91/1157682991.db2.gz VBAPTLKDCNWEBV-SNVBAGLBSA-N 0 0 303.409 0.288 10 0 DCAERN Cc1oncc1CNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000585362673 1158111186 /nfs/dbraw/zinc/11/11/86/1158111186.db2.gz FWFYCNFGZAXUAA-UHFFFAOYSA-N 0 0 301.368 0.271 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)s1 ZINC000382142650 1158128961 /nfs/dbraw/zinc/12/89/61/1158128961.db2.gz QWDQCSPUWVRJJL-MRVPVSSYSA-N 0 0 302.377 0.448 10 0 DCAERN C[C@H](O)CNC(=O)c1cc(I)ccc1N ZINC000308830891 1158187416 /nfs/dbraw/zinc/18/74/16/1158187416.db2.gz JMMQICQGSNOVAG-LURJTMIESA-N 0 0 320.130 0.984 10 0 DCAERN CC(=O)CC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCC1 ZINC000346415592 1158862903 /nfs/dbraw/zinc/86/29/03/1158862903.db2.gz RNTJLAJWYZBOSQ-LLVKDONJSA-N 0 0 302.396 0.286 10 0 DCAERN O=C(c1cccnc1Br)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388126882 1159129821 /nfs/dbraw/zinc/12/98/21/1159129821.db2.gz PZZNHKRUKWGQDT-OCAPTIKFSA-N 0 0 324.134 0.189 10 0 DCAERN CS(=O)(=O)CCC(=O)NCc1cc2ccccc2[nH]c1=O ZINC000062221936 1172435118 /nfs/dbraw/zinc/43/51/18/1172435118.db2.gz JYHQVCJKJNYXOI-UHFFFAOYSA-N 0 0 308.359 0.579 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066480099 1173760155 /nfs/dbraw/zinc/76/01/55/1173760155.db2.gz XXRJBWAJKBFYBA-SNVBAGLBSA-N 0 0 321.377 0.833 10 0 DCAERN Cc1noc(C)c1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000073809292 1173917120 /nfs/dbraw/zinc/91/71/20/1173917120.db2.gz MQLBSCDYMKRRPI-UHFFFAOYSA-N 0 0 308.338 0.580 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Br)cc1N ZINC000094046152 1175693827 /nfs/dbraw/zinc/69/38/27/1175693827.db2.gz OQUYLRFWOBEAPN-SSDOTTSWSA-N 0 0 312.167 0.992 10 0 DCAERN CCC(CC)C(=O)N1CCC(NC(=O)CCNC(N)=O)CC1 ZINC000123200040 1177041405 /nfs/dbraw/zinc/04/14/05/1177041405.db2.gz YOIJDUCNKKMXGR-UHFFFAOYSA-N 0 0 312.414 0.588 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000123622088 1177047848 /nfs/dbraw/zinc/04/78/48/1177047848.db2.gz OERKLSKZZAOXFA-SNVBAGLBSA-N 0 0 304.412 0.090 10 0 DCAERN COC[C@@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000124018395 1177094470 /nfs/dbraw/zinc/09/44/70/1177094470.db2.gz YOVXLAIENOEYEZ-QMMMGPOBSA-N 0 0 303.156 0.768 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126013799 1177207785 /nfs/dbraw/zinc/20/77/85/1177207785.db2.gz PGUBENGATZJMGY-UKRRQHHQSA-N 0 0 324.421 0.947 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)NCCCN1CCCC1=O ZINC000127758470 1177318330 /nfs/dbraw/zinc/31/83/30/1177318330.db2.gz NBTRFPXNLRJPCQ-JTQLQIEISA-N 0 0 311.411 0.424 10 0 DCAERN CCn1c2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc2[nH]c(=O)c1=O ZINC000132986842 1177528104 /nfs/dbraw/zinc/52/81/04/1177528104.db2.gz PNGNQTUSPFDMSY-GWCFXTLKSA-N 0 0 317.345 0.353 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000152757029 1180545739 /nfs/dbraw/zinc/54/57/39/1180545739.db2.gz XIGUMXCGMOEXMA-QWHCGFSZSA-N 0 0 309.410 0.523 10 0 DCAERN CN1CCO[C@H](C(=O)NCc2ccnc(OCC3CC3)c2)C1 ZINC000172801916 1183875087 /nfs/dbraw/zinc/87/50/87/1183875087.db2.gz WMKALXKVNXFYFC-AWEZNQCLSA-N 0 0 305.378 0.817 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000175425860 1184094914 /nfs/dbraw/zinc/09/49/14/1184094914.db2.gz BIWHYAKMKRLMER-ZJUUUORDSA-N 0 0 324.347 0.774 10 0 DCAERN C[C@H](Cc1ccsc1)N(C)C(=O)NCCNS(C)(=O)=O ZINC000175919348 1184118897 /nfs/dbraw/zinc/11/88/97/1184118897.db2.gz XNTQSJMFCVNNEK-SNVBAGLBSA-N 0 0 319.452 0.870 10 0 DCAERN COCCCOC1CN(C(=O)Cn2c3ccccc3oc2=O)C1 ZINC000176916091 1184223108 /nfs/dbraw/zinc/22/31/08/1184223108.db2.gz NTJCZYPITSNRRU-UHFFFAOYSA-N 0 0 320.345 0.858 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@](C)(O)c1ccsc1 ZINC000176990934 1184225039 /nfs/dbraw/zinc/22/50/39/1184225039.db2.gz KDVGKKSFRAIHJK-LBPRGKRZSA-N 0 0 320.436 0.353 10 0 DCAERN Cc1noc([C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000179890390 1185168610 /nfs/dbraw/zinc/16/86/10/1185168610.db2.gz LVWXPKOCGNKLSW-BXKDBHETSA-N 0 0 311.386 0.258 10 0 DCAERN CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000263051082 1185175561 /nfs/dbraw/zinc/17/55/61/1185175561.db2.gz UOGFQAHYDQRJKZ-JTQLQIEISA-N 0 0 319.333 0.994 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2nnc3ccccc32)C(C)(C)C1 ZINC000180942621 1185177337 /nfs/dbraw/zinc/17/73/37/1185177337.db2.gz MAQNQHVXRWLNBY-UHFFFAOYSA-N 0 0 315.377 0.901 10 0 DCAERN CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192990868 1187962712 /nfs/dbraw/zinc/96/27/12/1187962712.db2.gz YXZZRYLIQWSTEK-UHFFFAOYSA-N 0 0 323.374 0.657 10 0 DCAERN C[C@H](CCCO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307908968 1190385243 /nfs/dbraw/zinc/38/52/43/1190385243.db2.gz VTNKAYWGUHIMSU-SECBINFHSA-N 0 0 300.380 0.563 10 0 DCAERN CO[C@@H](C)CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909515 1190385606 /nfs/dbraw/zinc/38/56/06/1190385606.db2.gz XIDFGYXWYVDPQW-VIFPVBQESA-N 0 0 300.380 0.779 10 0 DCAERN NC(=O)[C@@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000310333308 1190389763 /nfs/dbraw/zinc/38/97/63/1190389763.db2.gz ZHFSEDGCFDERIR-LURJTMIESA-N 0 0 322.546 0.074 10 0 DCAERN O=C(c1ccc(Br)nc1)N1C[C@@H](O)[C@H](CO)C1 ZINC000316745705 1190417032 /nfs/dbraw/zinc/41/70/32/1190417032.db2.gz YJPNUTNSIMFTMG-DTWKUNHWSA-N 0 0 301.140 0.269 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N[C@@H]1COC[C@@H]1O ZINC000323183664 1190445379 /nfs/dbraw/zinc/44/53/79/1190445379.db2.gz FQMKVWUFOVAQGU-ZJUUUORDSA-N 0 0 301.140 0.521 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C)C(=O)[C@@H]1C ZINC000588527825 747408296 /nfs/dbraw/zinc/40/82/96/747408296.db2.gz JSSCSCRITMAZSL-NEPJUHHUSA-N 0 0 319.409 0.377 10 0 DCAERN C[C@@H](NC(=O)/C=C\c1cncc(O)c1)c1nnnn1C1CC1 ZINC000588586558 747500524 /nfs/dbraw/zinc/50/05/24/747500524.db2.gz CGVUZUMQDYXBLV-JHYPKJRRSA-N 0 0 300.322 0.999 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000044868457 767968211 /nfs/dbraw/zinc/96/82/11/767968211.db2.gz BVQTZNHQYLOPJU-UHFFFAOYSA-N 0 0 319.361 0.245 10 0 DCAERN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1F ZINC000401805548 774066241 /nfs/dbraw/zinc/06/62/41/774066241.db2.gz BORRTMXJEVOCJG-MRVPVSSYSA-N 0 0 308.356 0.028 10 0 DCAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1F ZINC000401814264 774067827 /nfs/dbraw/zinc/06/78/27/774067827.db2.gz GGQGVGIWSINITM-SECBINFHSA-N 0 0 322.383 0.418 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccnc1F ZINC000401843515 774068766 /nfs/dbraw/zinc/06/87/66/774068766.db2.gz SVEJMHPTGBKKEJ-UHFFFAOYSA-N 0 0 303.359 0.756 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401871697 774069413 /nfs/dbraw/zinc/06/94/13/774069413.db2.gz YWVSWQQCLRJRIK-SECBINFHSA-N 0 0 301.343 0.367 10 0 DCAERN CN(CCC(=O)[O-])S(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000689963973 976270450 /nfs/dbraw/zinc/27/04/50/976270450.db2.gz DQHWUBKLGHRBNA-SNVBAGLBSA-N 0 0 307.416 0.100 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C2CC2)CC1 ZINC000175888574 282103871 /nfs/dbraw/zinc/10/38/71/282103871.db2.gz BQJDADVWVQEASQ-CYBMUJFWSA-N 0 0 304.398 0.911 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)[nH]n1 ZINC000078901911 185126388 /nfs/dbraw/zinc/12/63/88/185126388.db2.gz GEOZPGKCNNBUQK-WDEREUQCSA-N 0 0 314.411 0.362 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408185951 282151074 /nfs/dbraw/zinc/15/10/74/282151074.db2.gz FRFVYIBZWPFKIN-MNOVXSKESA-N 0 0 306.428 0.133 10 0 DCAERN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000088463147 185251734 /nfs/dbraw/zinc/25/17/34/185251734.db2.gz MWHKPYATGMFFPI-DGXTUMSLSA-N 0 0 306.314 0.019 10 0 DCAERN CN1CCO[C@@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990537 185275343 /nfs/dbraw/zinc/27/53/43/185275343.db2.gz BNTWLJYPIGVDPF-SECBINFHSA-N 0 0 316.155 0.407 10 0 DCAERN CNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000090050449 185279734 /nfs/dbraw/zinc/27/97/34/185279734.db2.gz YIEVQEURCVXRIU-UHFFFAOYSA-N 0 0 324.356 0.412 10 0 DCAERN Nc1nc2nc[nH]c2c(Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000090602166 185306085 /nfs/dbraw/zinc/30/60/85/185306085.db2.gz VMXSRIPZZGSAFQ-UHFFFAOYSA-N 0 0 305.323 0.326 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000181410734 199293087 /nfs/dbraw/zinc/29/30/87/199293087.db2.gz QCGLWGMBPFHNHD-ZYHUDNBSSA-N 0 0 304.389 0.235 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000173546583 529846743 /nfs/dbraw/zinc/84/67/43/529846743.db2.gz NBAHHOCSCDIANZ-LBPRGKRZSA-N 0 0 317.455 0.811 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(C)C ZINC000179128579 529918802 /nfs/dbraw/zinc/91/88/02/529918802.db2.gz IFVIUWJOPJIRKY-OAHLLOKOSA-N 0 0 305.378 0.232 10 0 DCAERN CN(C)c1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc(=O)[nH]1 ZINC000408242433 282314873 /nfs/dbraw/zinc/31/48/73/282314873.db2.gz UMEPXBATJOKGPX-ONGXEEELSA-N 0 0 319.365 0.131 10 0 DCAERN CCC1(CC)CN(C(=O)CNS(=O)(=O)CC)CC[S@]1=O ZINC000186716026 282359036 /nfs/dbraw/zinc/35/90/36/282359036.db2.gz YYVXJPUPXMBCPH-IBGZPJMESA-N 0 0 324.468 0.075 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189635953 290736247 /nfs/dbraw/zinc/73/62/47/290736247.db2.gz UMCTYGSZBNNASW-UHFFFAOYSA-N 0 0 304.412 0.486 10 0 DCAERN O=C(Cn1nc2cnccn2c1=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000181696733 199340064 /nfs/dbraw/zinc/34/00/64/199340064.db2.gz BQNVKYRUBMGROC-RYUDHWBXSA-N 0 0 317.349 0.061 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000265700232 290743555 /nfs/dbraw/zinc/74/35/55/290743555.db2.gz QIMQFVZEUPREGG-GWCFXTLKSA-N 0 0 311.359 0.472 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000181853250 199362676 /nfs/dbraw/zinc/36/26/76/199362676.db2.gz ATMXYRJTFKMQIC-LBPRGKRZSA-N 0 0 323.397 0.373 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408430301 282527326 /nfs/dbraw/zinc/52/73/26/282527326.db2.gz RWRWHYIKDOIADF-NWDGAFQWSA-N 0 0 306.428 0.577 10 0 DCAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCN(C2CC2)CC1 ZINC000182003388 199373987 /nfs/dbraw/zinc/37/39/87/199373987.db2.gz PAMVPROKXJEGSU-GFCCVEGCSA-N 0 0 306.410 0.487 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000329990577 282614153 /nfs/dbraw/zinc/61/41/53/282614153.db2.gz JBCZRHCWAQWADX-MRVWCRGKSA-N 0 0 319.405 0.609 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)C(C)(C)C ZINC000083716722 192379711 /nfs/dbraw/zinc/37/97/11/192379711.db2.gz DKCZAUUGOYBUPC-LLVKDONJSA-N 0 0 322.413 0.883 10 0 DCAERN CCOCCNC(=O)CSc1nnnn1Cc1ccccc1 ZINC000084646588 192450258 /nfs/dbraw/zinc/45/02/58/192450258.db2.gz PZIUGBHKGMJMRJ-UHFFFAOYSA-N 0 0 321.406 0.966 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCNC(=O)Cc1ccccc1 ZINC000171487100 186167965 /nfs/dbraw/zinc/16/79/65/186167965.db2.gz GGYYDUDPLYFZIG-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN CC[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000177851393 186193224 /nfs/dbraw/zinc/19/32/24/186193224.db2.gz UGLQLYWOFWENCG-QWHCGFSZSA-N 0 0 307.398 0.906 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCO[C@@]2(CCOC2)C1 ZINC000183832540 186222258 /nfs/dbraw/zinc/22/22/58/186222258.db2.gz UWFAWOAQNVXBMX-INIZCTEOSA-N 0 0 304.346 0.434 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H]1OC ZINC000274942332 186445672 /nfs/dbraw/zinc/44/56/72/186445672.db2.gz MVJOXMMLNJNITB-MRVWCRGKSA-N 0 0 304.350 0.891 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)NCCc1ccsc1 ZINC000171901140 198003774 /nfs/dbraw/zinc/00/37/74/198003774.db2.gz HGQHBESHLAWWFI-UHFFFAOYSA-N 0 0 311.407 0.791 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2ccccc2F)C1 ZINC000172048842 198031025 /nfs/dbraw/zinc/03/10/25/198031025.db2.gz BTFMOIWCNOVOTA-LLVKDONJSA-N 0 0 315.370 0.659 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)CCc2ccccc2O)CC1 ZINC000172199485 198057366 /nfs/dbraw/zinc/05/73/66/198057366.db2.gz CECIVFLSFBFOHA-UHFFFAOYSA-N 0 0 319.405 0.605 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc(CS(N)(=O)=O)cc2)c1 ZINC000172233220 198062099 /nfs/dbraw/zinc/06/20/99/198062099.db2.gz KDYBJLOKGUNEHK-UHFFFAOYSA-N 0 0 322.390 0.410 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000172312212 198078064 /nfs/dbraw/zinc/07/80/64/198078064.db2.gz JHFLFASJWUYLEU-UHFFFAOYSA-N 0 0 314.345 0.881 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCS1(=O)=O ZINC000172371046 198086896 /nfs/dbraw/zinc/08/68/96/198086896.db2.gz CCCGFYWXQIHLBH-SNVBAGLBSA-N 0 0 321.358 0.996 10 0 DCAERN Cc1csc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000172342799 198083049 /nfs/dbraw/zinc/08/30/49/198083049.db2.gz PHSATWIQRMXBSI-VIFPVBQESA-N 0 0 303.409 0.780 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)CNC(=O)c1ccccn1 ZINC000172518076 198108273 /nfs/dbraw/zinc/10/82/73/198108273.db2.gz IRGMZPOLDVTECO-NSHDSACASA-N 0 0 306.366 0.232 10 0 DCAERN Cn1cc(NC(=O)[C@H]2Cc3ccccc3O2)c(=O)n(C)c1=O ZINC000172593804 198120347 /nfs/dbraw/zinc/12/03/47/198120347.db2.gz NLBPLCSNPLZJKJ-GFCCVEGCSA-N 0 0 301.302 0.026 10 0 DCAERN CCc1nnc(-n2ccc3c(c(C)nc4nc(C)nn43)c2=O)[nH]1 ZINC000072449525 191170560 /nfs/dbraw/zinc/17/05/60/191170560.db2.gz GNNHSSVMUBVVDA-UHFFFAOYSA-N 0 0 310.321 0.726 10 0 DCAERN CCN1CCN(C(=O)c2nnc3nc(SC)nn3c2C)CC1 ZINC000072452944 191171613 /nfs/dbraw/zinc/17/16/13/191171613.db2.gz AYBJBAODWFWXBX-UHFFFAOYSA-N 0 0 321.410 0.327 10 0 DCAERN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN(C3CC3)CC2)nn1 ZINC000172714887 198140249 /nfs/dbraw/zinc/14/02/49/198140249.db2.gz ANPLNCKEVAPCDF-UHFFFAOYSA-N 0 0 319.409 0.814 10 0 DCAERN CCOC(=O)CSc1nnc2n1c1ccccc1c(=O)n2N ZINC000000205987 180725470 /nfs/dbraw/zinc/72/54/70/180725470.db2.gz FKBJNAFKBRYGFU-UHFFFAOYSA-N 0 0 319.346 0.413 10 0 DCAERN CCCCc1nnc(SCC(=O)Nc2nc(C)no2)n1N ZINC000172942642 198169929 /nfs/dbraw/zinc/16/99/29/198169929.db2.gz YDVZVOUNQGABPY-UHFFFAOYSA-N 0 0 311.371 0.757 10 0 DCAERN C[C@@H]1CC[C@H](C)N(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000072897136 191249511 /nfs/dbraw/zinc/24/95/11/191249511.db2.gz CZWCUDOQBAZPQD-ZJUUUORDSA-N 0 0 320.393 0.757 10 0 DCAERN COCCN1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173512940 198222253 /nfs/dbraw/zinc/22/22/53/198222253.db2.gz HIULVJPWXRVNQW-CQSZACIVSA-N 0 0 321.425 0.098 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCC[C@H](C)O)C2=O)n(C)n1 ZINC000173565978 198228469 /nfs/dbraw/zinc/22/84/69/198228469.db2.gz UXTIMMVNJJKOSO-RYUDHWBXSA-N 0 0 323.397 0.294 10 0 DCAERN COc1ccc(N[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)cn1 ZINC000173853611 198261199 /nfs/dbraw/zinc/26/11/99/198261199.db2.gz NBJWGMQOTBOJCL-JTQLQIEISA-N 0 0 306.366 0.628 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H](n2cncn2)C1)N1CCCCC1 ZINC000173868269 198262246 /nfs/dbraw/zinc/26/22/46/198262246.db2.gz SVOZZMMNCPKOFD-ZDUSSCGKSA-N 0 0 320.397 0.637 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000173949006 198271499 /nfs/dbraw/zinc/27/14/99/198271499.db2.gz KIMFOQFUDDQIDV-AWEZNQCLSA-N 0 0 307.398 0.426 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174156930 198299496 /nfs/dbraw/zinc/29/94/96/198299496.db2.gz SHQIPPPMUBKBBB-OLZOCXBDSA-N 0 0 322.413 0.929 10 0 DCAERN O=C(CCCOc1ccc(F)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000174274252 198313434 /nfs/dbraw/zinc/31/34/34/198313434.db2.gz APKSZTQEKOZRJO-GFCCVEGCSA-N 0 0 308.309 0.906 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000174588567 198356259 /nfs/dbraw/zinc/35/62/59/198356259.db2.gz VIJKVRQADPEQBR-VXGBXAGGSA-N 0 0 314.407 0.646 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000174844440 198392512 /nfs/dbraw/zinc/39/25/12/198392512.db2.gz DPPZZJZYTMWPFR-QMMMGPOBSA-N 0 0 322.337 0.799 10 0 DCAERN O=C(N[C@@H]1CC[S@@](=O)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408311430 303893572 /nfs/dbraw/zinc/89/35/72/303893572.db2.gz YWILKSJRXHZEBL-FIMANENLSA-N 0 0 300.302 0.216 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182519847 199453098 /nfs/dbraw/zinc/45/30/98/199453098.db2.gz NWQPJQBCLWVBLS-UONOGXRCSA-N 0 0 320.393 0.893 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C[C@H]21 ZINC000328867533 283027358 /nfs/dbraw/zinc/02/73/58/283027358.db2.gz GZTKFQUBCQOUNA-ZJUUUORDSA-N 0 0 309.391 0.392 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852409 283029118 /nfs/dbraw/zinc/02/91/18/283029118.db2.gz BUBOTCPXLYGKLB-KGLIPLIRSA-N 0 0 313.361 0.570 10 0 DCAERN CCOC(=O)N1CCN(c2ncc3c(=O)[nH]cnc3n2)CC1 ZINC000073666313 191338880 /nfs/dbraw/zinc/33/88/80/191338880.db2.gz SFWNMDLDUVVOCY-UHFFFAOYSA-N 0 0 304.310 0.404 10 0 DCAERN CC(C)(C)NC(=O)CN1C(=O)N[C@](C)(c2cccnc2)C1=O ZINC000085268375 192486336 /nfs/dbraw/zinc/48/63/36/192486336.db2.gz YIYJGEKEEXBSNG-OAHLLOKOSA-N 0 0 304.350 0.763 10 0 DCAERN CO[C@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000184092371 199672151 /nfs/dbraw/zinc/67/21/51/199672151.db2.gz RIUZZSWXXBCYBP-LBPRGKRZSA-N 0 0 303.318 0.410 10 0 DCAERN CC(=O)c1sc(NC(=O)CSc2nncn2N)nc1C ZINC000005605569 181263079 /nfs/dbraw/zinc/26/30/79/181263079.db2.gz BKOREGULLBIKDT-UHFFFAOYSA-N 0 0 312.380 0.690 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000081522234 192280865 /nfs/dbraw/zinc/28/08/65/192280865.db2.gz IJBUEVFNKXRDRV-NSCUHMNNSA-N 0 0 300.355 0.894 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCC1=O ZINC000265664450 283240578 /nfs/dbraw/zinc/24/05/78/283240578.db2.gz PODLGKGZNIENHM-ZYHUDNBSSA-N 0 0 319.336 0.989 10 0 DCAERN CN1N=C(C(=O)N2CCCC[C@@H]2CN2CCOCC2)CCC1=O ZINC000110959650 283256964 /nfs/dbraw/zinc/25/69/64/283256964.db2.gz LXSLAMAFGCTJAF-CYBMUJFWSA-N 0 0 322.409 0.308 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000179253736 199005552 /nfs/dbraw/zinc/00/55/52/199005552.db2.gz XOCPHKYKRQCZMG-CQSZACIVSA-N 0 0 315.373 0.946 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc2[nH]ccc21 ZINC000179817683 199084671 /nfs/dbraw/zinc/08/46/71/199084671.db2.gz WXCYAHOAWIWVHJ-GFCCVEGCSA-N 0 0 318.377 0.983 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1N1CCOCC1 ZINC000180259321 199137826 /nfs/dbraw/zinc/13/78/26/199137826.db2.gz WBNBBCLFAYMXIM-YPMHNXCESA-N 0 0 323.418 0.866 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1-n1cnnn1 ZINC000180643104 199189942 /nfs/dbraw/zinc/18/99/42/199189942.db2.gz PWDGPZFIVAOHFT-ZWNOBZJWSA-N 0 0 317.349 0.968 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)nn2)cn1 ZINC000133432496 283381267 /nfs/dbraw/zinc/38/12/67/283381267.db2.gz NNFCLSUGBXGJHW-UHFFFAOYSA-N 0 0 312.333 0.823 10 0 DCAERN CC(=O)NCC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000181136120 199255937 /nfs/dbraw/zinc/25/59/37/199255937.db2.gz FGQYQYAZHSDENZ-LLVKDONJSA-N 0 0 315.167 0.735 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135260686 295988267 /nfs/dbraw/zinc/98/82/67/295988267.db2.gz IAOSGYNILCMZBN-VHSXEESVSA-N 0 0 314.411 0.472 10 0 DCAERN Cc1cccc(N(CCC(N)=O)C[C@H](O)CN2CCCC2=O)c1 ZINC000156796485 237055120 /nfs/dbraw/zinc/05/51/20/237055120.db2.gz VDTUNVADFFOXGN-HNNXBMFYSA-N 0 0 319.405 0.660 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159202700 237071396 /nfs/dbraw/zinc/07/13/96/237071396.db2.gz UUMYDOJIEKPFHE-WDEREUQCSA-N 0 0 307.354 0.272 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000163684342 237113231 /nfs/dbraw/zinc/11/32/31/237113231.db2.gz OFZTUDIDAXHMJJ-WCBMZHEXSA-N 0 0 322.365 0.596 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000163684530 237113744 /nfs/dbraw/zinc/11/37/44/237113744.db2.gz OFZTUDIDAXHMJJ-PSASIEDQSA-N 0 0 322.365 0.596 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)C(C)C)CC1 ZINC000172499335 237146483 /nfs/dbraw/zinc/14/64/83/237146483.db2.gz HGECBIKVLALEGI-LBPRGKRZSA-N 0 0 305.444 0.955 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000172499334 237146942 /nfs/dbraw/zinc/14/69/42/237146942.db2.gz HGECBIKVLALEGI-GFCCVEGCSA-N 0 0 305.444 0.955 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668766 237147263 /nfs/dbraw/zinc/14/72/63/237147263.db2.gz WIEZFRXVSAALGZ-ZIAGYGMSSA-N 0 0 319.409 0.234 10 0 DCAERN Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c2cnn(C)c2n1 ZINC000175726250 237188570 /nfs/dbraw/zinc/18/85/70/237188570.db2.gz KEBMELZZWITBON-SNVBAGLBSA-N 0 0 322.390 0.536 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173837423 237164935 /nfs/dbraw/zinc/16/49/35/237164935.db2.gz PDZGEAHEERPWDW-DTWKUNHWSA-N 0 0 303.302 0.352 10 0 DCAERN CCNC(=O)N1CCc2ccc(NC(=O)CC(=O)NC)cc21 ZINC000187041802 200051736 /nfs/dbraw/zinc/05/17/36/200051736.db2.gz DFUWISSHZBGYRU-UHFFFAOYSA-N 0 0 304.350 0.853 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@@](C)(O)C1 ZINC000183850184 237283285 /nfs/dbraw/zinc/28/32/85/237283285.db2.gz HGNSVCPDLYYLAM-OAHLLOKOSA-N 0 0 304.350 0.964 10 0 DCAERN CCn1c(C)nnc1CN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181580882 237264354 /nfs/dbraw/zinc/26/43/54/237264354.db2.gz XGOIAQUXQQXZRD-JTQLQIEISA-N 0 0 301.416 0.072 10 0 DCAERN COCCCN(CCO)C(=O)NCc1cccnc1N(C)C ZINC000186914325 237332491 /nfs/dbraw/zinc/33/24/91/237332491.db2.gz LIWPWOONHZICDS-UHFFFAOYSA-N 0 0 310.398 0.688 10 0 DCAERN Cc1nc2c(cccc2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000281057816 216050773 /nfs/dbraw/zinc/05/07/73/216050773.db2.gz YRRLPTOAGMQUJN-SNVBAGLBSA-N 0 0 323.374 0.900 10 0 DCAERN Cc1cc(C(=O)NCC2(CCO)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000187970007 237365527 /nfs/dbraw/zinc/36/55/27/237365527.db2.gz OSTUGIIVYLPWLP-UHFFFAOYSA-N 0 0 304.350 0.462 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCO)[C@H](C)C2)[C@@H]1C ZINC000187675326 200143593 /nfs/dbraw/zinc/14/35/93/200143593.db2.gz ODJSBJATTXIWFQ-FPCVCCKLSA-N 0 0 311.470 0.926 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cn3ccnc3s2)C1 ZINC000188515635 237373376 /nfs/dbraw/zinc/37/33/76/237373376.db2.gz HWZIVPRDPHXJSB-QMMMGPOBSA-N 0 0 314.392 0.160 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2F)CCN1CCO ZINC000187732538 200150031 /nfs/dbraw/zinc/15/00/31/200150031.db2.gz FNSNAMOLVVQQEM-LLVKDONJSA-N 0 0 313.348 0.902 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)NCCCn2ccnn2)n1 ZINC000189895322 237416772 /nfs/dbraw/zinc/41/67/72/237416772.db2.gz LJPCNDGDFHTZFY-LLVKDONJSA-N 0 0 307.358 0.894 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000190554090 237434281 /nfs/dbraw/zinc/43/42/81/237434281.db2.gz RXYKRMZOJCLBSO-AVGNSLFASA-N 0 0 306.428 0.699 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H](C)O1 ZINC000188191450 200206827 /nfs/dbraw/zinc/20/68/27/200206827.db2.gz OBHVICTWWDNWNC-PWSUYJOCSA-N 0 0 304.350 0.844 10 0 DCAERN C[C@H]1OCCN(C(=O)c2cc3c(s2)CCOC3)[C@@H]1C(N)=O ZINC000285326605 291202490 /nfs/dbraw/zinc/20/24/90/291202490.db2.gz LFNDSLFXHUIZQN-PELKAZGASA-N 0 0 310.375 0.536 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000153592721 291207801 /nfs/dbraw/zinc/20/78/01/291207801.db2.gz SBFSYCHXTKAFHT-NSHDSACASA-N 0 0 313.361 0.971 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc[nH]c(=O)c1 ZINC000153625245 291207858 /nfs/dbraw/zinc/20/78/58/291207858.db2.gz NGXVVJJRHDQLKF-CQSZACIVSA-N 0 0 313.357 0.804 10 0 DCAERN COCc1nc(C)c(C(=O)N2CCN(CCO)[C@H](C)C2)s1 ZINC000188724258 200294968 /nfs/dbraw/zinc/29/49/68/200294968.db2.gz XIDNVXBYWDSRSZ-SNVBAGLBSA-N 0 0 313.423 0.737 10 0 DCAERN C[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccc2c(c1)OCO2 ZINC000153933782 291209404 /nfs/dbraw/zinc/20/94/04/291209404.db2.gz DRJMCJBHHGQNNM-VIFPVBQESA-N 0 0 304.306 0.188 10 0 DCAERN Cc1ccn2ncc(C(=O)NC[C@H]3CCCS3(=O)=O)c2n1 ZINC000154401600 291213511 /nfs/dbraw/zinc/21/35/11/291213511.db2.gz DPIDBCFPTDEMLU-SNVBAGLBSA-N 0 0 308.363 0.345 10 0 DCAERN Cc1nc(Cn2nnc3c(cnn3C)c2=O)nc2ccccc12 ZINC000154457325 291213821 /nfs/dbraw/zinc/21/38/21/291213821.db2.gz GJSVHHWGEFNHRN-UHFFFAOYSA-N 0 0 307.317 0.825 10 0 DCAERN CC[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272137732 209506416 /nfs/dbraw/zinc/50/64/16/209506416.db2.gz LFVHORKYUCKDMI-QWRGUYRKSA-N 0 0 319.365 0.554 10 0 DCAERN C[C@H](NC(=O)CCNC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000156648671 291225524 /nfs/dbraw/zinc/22/55/24/291225524.db2.gz IDIVOAPMIZYUSQ-JTQLQIEISA-N 0 0 302.338 0.503 10 0 DCAERN CCc1cccc(CC(=O)Nc2ncn(CC(=O)NC)n2)c1 ZINC000156587994 291225595 /nfs/dbraw/zinc/22/55/95/291225595.db2.gz BOZIFAPVEZWDRN-UHFFFAOYSA-N 0 0 301.350 0.768 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1F ZINC000162927716 291245253 /nfs/dbraw/zinc/24/52/53/291245253.db2.gz IPZAORIJXQECBE-UHFFFAOYSA-N 0 0 307.325 0.721 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cn1 ZINC000265452925 291249832 /nfs/dbraw/zinc/24/98/32/291249832.db2.gz AKTOVEPUGWBHNB-ZJUUUORDSA-N 0 0 321.424 0.099 10 0 DCAERN O=C(CN1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000270557085 291250718 /nfs/dbraw/zinc/25/07/18/291250718.db2.gz RNMYFRGRSFNRKS-CABCVRRESA-N 0 0 304.394 0.938 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)cc1 ZINC000313653076 291252565 /nfs/dbraw/zinc/25/25/65/291252565.db2.gz ULUKVPQEUJQUPD-AWEZNQCLSA-N 0 0 313.375 0.397 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328619513 291259514 /nfs/dbraw/zinc/25/95/14/291259514.db2.gz FYGFLAWKIYSXNA-KGYLQXTDSA-N 0 0 317.411 0.595 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408247695 296036317 /nfs/dbraw/zinc/03/63/17/296036317.db2.gz PSEXWQRBCJBTJZ-BDJLRTHQSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)N1CCCCC1 ZINC000171959166 299326966 /nfs/dbraw/zinc/32/69/66/299326966.db2.gz JEFUGZPANVHEND-NWDGAFQWSA-N 0 0 304.412 0.343 10 0 DCAERN NS(=O)(=O)[C@@H]1Cc2ccccc2N(C[C@@H](O)C(F)(F)F)C1 ZINC000408522524 239271012 /nfs/dbraw/zinc/27/10/12/239271012.db2.gz ATGFLKUELUTHAV-MWLCHTKSSA-N 0 0 324.324 0.629 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1CC(=O)Nc1nncs1)C1CC1 ZINC000275496275 212372427 /nfs/dbraw/zinc/37/24/27/212372427.db2.gz ABUVLTOVWCLVQL-GFCCVEGCSA-N 0 0 323.422 0.952 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000091770963 193104683 /nfs/dbraw/zinc/10/46/83/193104683.db2.gz BMUHYEYMOSWIJR-DOMZBBRYSA-N 0 0 323.780 0.864 10 0 DCAERN CCc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091780998 193106770 /nfs/dbraw/zinc/10/67/70/193106770.db2.gz WXKLVXNYWHLPAW-CQSZACIVSA-N 0 0 318.373 0.925 10 0 DCAERN Cc1ccc(OCCC(=O)N2CCOC[C@H]2C(N)=O)cc1C ZINC000091783172 193107912 /nfs/dbraw/zinc/10/79/12/193107912.db2.gz MYITUHCEXSNBNW-AWEZNQCLSA-N 0 0 306.362 0.785 10 0 DCAERN COCCN1CCN(C[C@@H](O)COCc2ccccc2)CC1=O ZINC000091813387 193111306 /nfs/dbraw/zinc/11/13/06/193111306.db2.gz FHRYULKXSBFZFE-MRXNPFEDSA-N 0 0 322.405 0.355 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccncc1C ZINC000488172583 241088841 /nfs/dbraw/zinc/08/88/41/241088841.db2.gz SCTPTAWPBLZNME-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000493818005 241161662 /nfs/dbraw/zinc/16/16/62/241161662.db2.gz LEIJNTYSFIYRSV-VIFPVBQESA-N 0 0 305.334 0.330 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000275314683 212267102 /nfs/dbraw/zinc/26/71/02/212267102.db2.gz BWYZTBOBTRJCLI-SOUVJXGZSA-N 0 0 305.378 0.749 10 0 DCAERN NC(=O)CN1CCC(C(=O)NCCOCc2ccccc2)CC1 ZINC000092099086 193158406 /nfs/dbraw/zinc/15/84/06/193158406.db2.gz YMMWKJWXXZYPPB-UHFFFAOYSA-N 0 0 319.405 0.517 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC000408322935 291407484 /nfs/dbraw/zinc/40/74/84/291407484.db2.gz WMDKHDPEBPOMTA-UTUOFQBUSA-N 0 0 317.407 0.611 10 0 DCAERN Cn1nnnc1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000275217733 212203234 /nfs/dbraw/zinc/20/32/34/212203234.db2.gz KMEBCVRWURWZBO-MNOVXSKESA-N 0 0 315.333 0.401 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000275222763 212206296 /nfs/dbraw/zinc/20/62/96/212206296.db2.gz CBRNJBWRHZMSRJ-GHMZBOCLSA-N 0 0 305.338 0.744 10 0 DCAERN CC(C)NC(=O)[C@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000223198790 201636459 /nfs/dbraw/zinc/63/64/59/201636459.db2.gz QGOFLMDBCUTXAT-LBPRGKRZSA-N 0 0 323.393 0.289 10 0 DCAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092231189 193177223 /nfs/dbraw/zinc/17/72/23/193177223.db2.gz FCNDKUPQHOYYGB-BXUZGUMPSA-N 0 0 323.368 0.531 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000408296520 284035897 /nfs/dbraw/zinc/03/58/97/284035897.db2.gz AUXDBZZZCSKDPU-NTZNESFSSA-N 0 0 323.393 0.590 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCCc1nc(C)no1 ZINC000093123057 193205450 /nfs/dbraw/zinc/20/54/50/193205450.db2.gz ZSSKQFICINTXJH-UHFFFAOYSA-N 0 0 322.369 0.724 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cn3cccnc3n2)C1 ZINC000569191701 291465689 /nfs/dbraw/zinc/46/56/89/291465689.db2.gz ZQOJXOKXVLANRC-LLVKDONJSA-N 0 0 322.390 0.769 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)c1 ZINC000569307110 291471764 /nfs/dbraw/zinc/47/17/64/291471764.db2.gz KQYLJVPJMVRPEG-GHMZBOCLSA-N 0 0 314.363 0.714 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000093964801 193332008 /nfs/dbraw/zinc/33/20/08/193332008.db2.gz QPHOHZBODLLGGK-VXGBXAGGSA-N 0 0 320.455 0.978 10 0 DCAERN C[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000094789851 193398788 /nfs/dbraw/zinc/39/87/88/193398788.db2.gz AYPCVKGUYMKAIB-LLVKDONJSA-N 0 0 304.393 0.581 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000286842721 284205039 /nfs/dbraw/zinc/20/50/39/284205039.db2.gz SSXAOPXOBQRCPM-OXIWPEFWSA-N 0 0 318.377 0.710 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC000276412676 284209850 /nfs/dbraw/zinc/20/98/50/284209850.db2.gz PKQKPKHPNGXHRF-XRNSZHNASA-N 0 0 306.318 0.792 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(=O)[nH]n1 ZINC000009835114 181643034 /nfs/dbraw/zinc/64/30/34/181643034.db2.gz APMKEZGXDIRXSY-UHFFFAOYSA-N 0 0 300.318 0.859 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000265093066 204391502 /nfs/dbraw/zinc/39/15/02/204391502.db2.gz DCLSFDBGOKMEAB-JQWIXIFHSA-N 0 0 309.753 0.913 10 0 DCAERN CCn1nc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1C ZINC000265356800 204554185 /nfs/dbraw/zinc/55/41/85/204554185.db2.gz VIXBOUOBNUTXHX-LLVKDONJSA-N 0 0 314.411 0.284 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282507215 217049008 /nfs/dbraw/zinc/04/90/08/217049008.db2.gz OMDHBRZTXOGVMG-JTQLQIEISA-N 0 0 304.350 0.741 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000193488627 284309017 /nfs/dbraw/zinc/30/90/17/284309017.db2.gz OGZCFJCWOSJXKU-LLVKDONJSA-N 0 0 321.230 0.685 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3c(c2)OCCO3)CC(=O)N1C ZINC000282610466 217125202 /nfs/dbraw/zinc/12/52/02/217125202.db2.gz QZMLKQGJVFZWCS-NSHDSACASA-N 0 0 319.361 0.830 10 0 DCAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CCCSCC1 ZINC000276333274 296182933 /nfs/dbraw/zinc/18/29/33/296182933.db2.gz RNCUQNNEGFBOJJ-UHFFFAOYSA-N 0 0 320.418 0.597 10 0 DCAERN CCN(C)S(=O)(=O)N1CCCC[C@H]1c1nc(COC)n[nH]1 ZINC000408203931 284357276 /nfs/dbraw/zinc/35/72/76/284357276.db2.gz FRKLXJMUWGCRCS-JTQLQIEISA-N 0 0 317.415 0.675 10 0 DCAERN CC(=O)N1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000016446644 182044991 /nfs/dbraw/zinc/04/49/91/182044991.db2.gz ZDYHQYHZMRAQJO-UHFFFAOYSA-N 0 0 304.394 0.855 10 0 DCAERN CN(C)S(=O)(=O)N(CCC(N)=S)Cc1cccnc1 ZINC000019232354 182110000 /nfs/dbraw/zinc/11/00/00/182110000.db2.gz GZJVUIYWYQQZAS-UHFFFAOYSA-N 0 0 302.425 0.366 10 0 DCAERN COCCNC(=O)[C@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000020317043 182205692 /nfs/dbraw/zinc/20/56/92/182205692.db2.gz FRBMCMLJILMGSL-JTQLQIEISA-N 0 0 300.380 0.653 10 0 DCAERN COCCNC(=O)CN(C)c1nc(-c2ccc(OC)cc2)no1 ZINC000021164566 182267757 /nfs/dbraw/zinc/26/77/57/182267757.db2.gz ZJMLHAJIPGJARB-UHFFFAOYSA-N 0 0 320.349 0.944 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000572795786 291589692 /nfs/dbraw/zinc/58/96/92/291589692.db2.gz LZWMZCZNTXGDJV-ZDUSSCGKSA-N 0 0 324.425 0.603 10 0 DCAERN CCOc1ccc(N=C(CC(=O)OC)C(=O)NCCO)cc1 ZINC000021946246 182299645 /nfs/dbraw/zinc/29/96/45/182299645.db2.gz KDTCKPPGYUSQMX-RAXLEYEMSA-N 0 0 308.334 0.663 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)NCC(=O)NCc1ccco1 ZINC000021960577 182300005 /nfs/dbraw/zinc/30/00/05/182300005.db2.gz ANPBVLYBLHXROM-JTQLQIEISA-N 0 0 319.317 0.424 10 0 DCAERN CC(C)OCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000022698746 182331374 /nfs/dbraw/zinc/33/13/74/182331374.db2.gz PCYAPQTUWYTIFZ-UHFFFAOYSA-N 0 0 307.354 0.061 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000573103382 291610655 /nfs/dbraw/zinc/61/06/55/291610655.db2.gz BUIOVAVANXBCCV-GHMZBOCLSA-N 0 0 302.334 0.548 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000031597280 182616280 /nfs/dbraw/zinc/61/62/80/182616280.db2.gz JRHNIQQUVJOPQC-AQNFWKISSA-N 0 0 324.354 0.636 10 0 investigational DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)C[C@H]1CCCO1 ZINC000408258250 291630819 /nfs/dbraw/zinc/63/08/19/291630819.db2.gz ZCHCELAMISAWBH-LPWJVIDDSA-N 0 0 317.407 0.769 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Cn1ccccc1=O ZINC000067622614 284549299 /nfs/dbraw/zinc/54/92/99/284549299.db2.gz HIPWVEOGWUKBGG-CYBMUJFWSA-N 0 0 305.378 0.708 10 0 DCAERN CCNS(=O)(=O)c1ccc(NCCS(C)(=O)=O)cc1 ZINC000037750752 182923045 /nfs/dbraw/zinc/92/30/45/182923045.db2.gz IBOOKBOXJVYYPM-UHFFFAOYSA-N 0 0 306.409 0.441 10 0 DCAERN O=C(c1ccc(F)cc1)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000037984058 182953841 /nfs/dbraw/zinc/95/38/41/182953841.db2.gz VXXVYCDHZBEXLU-LBPRGKRZSA-N 0 0 301.339 0.447 10 0 DCAERN COC(=O)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000037928745 182938597 /nfs/dbraw/zinc/93/85/97/182938597.db2.gz CCJFFZKVHAXLKH-UHFFFAOYSA-N 0 0 323.168 0.483 10 0 DCAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040789283 183133579 /nfs/dbraw/zinc/13/35/79/183133579.db2.gz HAPXEJZGHQQCSU-JOYOIKCWSA-N 0 0 324.358 0.080 10 0 DCAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040789281 183133613 /nfs/dbraw/zinc/13/36/13/183133613.db2.gz HAPXEJZGHQQCSU-BXKDBHETSA-N 0 0 324.358 0.080 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCOCC1CCC1 ZINC000574250793 291682793 /nfs/dbraw/zinc/68/27/93/291682793.db2.gz BRNDELCBIJDTHM-KRWDZBQOSA-N 0 0 322.405 0.841 10 0 DCAERN COCCS(=O)(=O)Nc1ccc(OCC(N)=S)cc1 ZINC000042809347 183311430 /nfs/dbraw/zinc/31/14/30/183311430.db2.gz VHCKRBIGFWJIPD-UHFFFAOYSA-N 0 0 304.393 0.740 10 0 DCAERN CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105282056 194092716 /nfs/dbraw/zinc/09/27/16/194092716.db2.gz PRAOQAQPUBXPSJ-CQSZACIVSA-N 0 0 320.393 0.888 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCN(C3CC3)CC2)ncn1 ZINC000105788713 194127382 /nfs/dbraw/zinc/12/73/82/194127382.db2.gz DBMKHHBBPIVBFA-AWEZNQCLSA-N 0 0 303.410 0.722 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cn1 ZINC000105830792 194140703 /nfs/dbraw/zinc/14/07/03/194140703.db2.gz HPBILTNXKHZDPY-CQSZACIVSA-N 0 0 319.409 0.073 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804472 194133768 /nfs/dbraw/zinc/13/37/68/194133768.db2.gz SQDJQTLOHUJAEQ-UHFFFAOYSA-N 0 0 306.370 0.199 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC000105862247 194150044 /nfs/dbraw/zinc/15/00/44/194150044.db2.gz OKKVVCPBXDGEJH-VXGBXAGGSA-N 0 0 306.366 0.813 10 0 DCAERN CCNC(=O)CCN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865327 194150540 /nfs/dbraw/zinc/15/05/40/194150540.db2.gz OMQPXKCAADCSND-LBPRGKRZSA-N 0 0 309.414 0.837 10 0 DCAERN CCOC(=O)CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911324 194169958 /nfs/dbraw/zinc/16/99/58/194169958.db2.gz MXVNPYRXCCFYQQ-UHFFFAOYSA-N 0 0 304.354 0.200 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561407 194230744 /nfs/dbraw/zinc/23/07/44/194230744.db2.gz MNWQSGBQURXRQC-CHWSQXEVSA-N 0 0 307.398 0.977 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N(Cc1ccco1)Cc1ccco1 ZINC000110050012 194306359 /nfs/dbraw/zinc/30/63/59/194306359.db2.gz ZBWLJANWUBNGPD-UHFFFAOYSA-N 0 0 317.301 0.953 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)s1 ZINC000110942589 194372467 /nfs/dbraw/zinc/37/24/67/194372467.db2.gz VFLCEDRFBYUGKE-NSHDSACASA-N 0 0 308.407 0.232 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000111078328 194389483 /nfs/dbraw/zinc/38/94/83/194389483.db2.gz MJHVHDPAJBDKTE-LSDHHAIUSA-N 0 0 320.393 0.369 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408012898 296317769 /nfs/dbraw/zinc/31/77/69/296317769.db2.gz PJEOMWVVTVEZKT-UTUOFQBUSA-N 0 0 303.428 0.691 10 0 DCAERN CC[C@H](C)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000057413390 184037584 /nfs/dbraw/zinc/03/75/84/184037584.db2.gz BWLMNNABWLEGKP-ZDUSSCGKSA-N 0 0 306.414 0.696 10 0 DCAERN C[C@@H](NC(=O)c1cc(N)c(F)cc1Br)C(N)=O ZINC000061079720 184161181 /nfs/dbraw/zinc/16/11/81/184161181.db2.gz ISKIZEZGUYLZBO-SCSAIBSYSA-N 0 0 304.119 0.774 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[C@@H]1C(N)=S ZINC000061886567 184192095 /nfs/dbraw/zinc/19/20/95/184192095.db2.gz PQKVZGZFOLSSIH-DTWKUNHWSA-N 0 0 308.425 0.314 10 0 DCAERN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000112654114 194496801 /nfs/dbraw/zinc/49/68/01/194496801.db2.gz WORGWSOVZXYIBM-NEPJUHHUSA-N 0 0 321.381 0.578 10 0 DCAERN C[C@@H]1NC(=S)N([C@H](Cc2ccccc2)C(=O)N(C)C)C1=O ZINC000067454588 184467382 /nfs/dbraw/zinc/46/73/82/184467382.db2.gz VBKRRQFVTJVHJM-CMPLNLGQSA-N 0 0 305.403 0.791 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@H]3C(=O)N(C)C)c2n1 ZINC000074690704 252585351 /nfs/dbraw/zinc/58/53/51/252585351.db2.gz HWRDFJJCPLNXIE-LBPRGKRZSA-N 0 0 301.350 0.731 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000176898700 252604089 /nfs/dbraw/zinc/60/40/89/252604089.db2.gz NWBUWIDSMYQBBM-QMMMGPOBSA-N 0 0 303.366 0.825 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(CCCN2CCOCC2)C1 ZINC000328620627 532969924 /nfs/dbraw/zinc/96/99/24/532969924.db2.gz HDWUJJMEFXPSCZ-ZIAGYGMSSA-N 0 0 310.398 0.862 10 0 DCAERN Cc1sc(=O)n(Cc2nc([C@H]3CN4CCN3CC4)no2)c1C ZINC000273990596 252621953 /nfs/dbraw/zinc/62/19/53/252621953.db2.gz LPONDPCJGUKQGC-LLVKDONJSA-N 0 0 321.406 0.630 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3cncc4ncnn43)CC2)CCCO1 ZINC000275518803 252624074 /nfs/dbraw/zinc/62/40/74/252624074.db2.gz CCISAJDGYSIFHV-OAHLLOKOSA-N 0 0 316.365 0.342 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@H]1O ZINC000333317187 252705109 /nfs/dbraw/zinc/70/51/09/252705109.db2.gz OZXPSRCNYAOBON-IUODEOHRSA-N 0 0 305.378 0.761 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333327428 252706781 /nfs/dbraw/zinc/70/67/81/252706781.db2.gz CAYHWFULUZGSOR-ZRJCITRHSA-N 0 0 308.382 0.805 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333161545 252688855 /nfs/dbraw/zinc/68/88/55/252688855.db2.gz GMMUKNBVZBGFCX-UHFFFAOYSA-N 0 0 306.370 0.413 10 0 DCAERN CN(C(=O)NCc1ccc2c(n1)CCCC2)[C@@H]1CCNC1=O ZINC000333765966 252761434 /nfs/dbraw/zinc/76/14/34/252761434.db2.gz WRMJUDDXCQGHGK-CQSZACIVSA-N 0 0 302.378 0.990 10 0 DCAERN Cc1noc(CCNC(=O)CCNC(=O)c2cccs2)n1 ZINC000119686838 195016951 /nfs/dbraw/zinc/01/69/51/195016951.db2.gz HWXLNJFWPGBEOE-UHFFFAOYSA-N 0 0 308.363 0.918 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000340002305 253180605 /nfs/dbraw/zinc/18/06/05/253180605.db2.gz IJBJSYRRJAIWIK-GHMZBOCLSA-N 0 0 307.416 0.133 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000120209549 195119808 /nfs/dbraw/zinc/11/98/08/195119808.db2.gz IRNLCKNYQDUZSY-CHWSQXEVSA-N 0 0 304.456 0.904 10 0 DCAERN CCS(=O)(=O)c1ccc(NC[C@H](C)S(N)(=O)=O)cc1 ZINC000341525217 253390548 /nfs/dbraw/zinc/39/05/48/253390548.db2.gz CHXOIGJILMPJHR-VIFPVBQESA-N 0 0 306.409 0.569 10 0 DCAERN CCS(=O)(=O)c1ccccc1NC[C@@H](C)S(N)(=O)=O ZINC000341537871 253391509 /nfs/dbraw/zinc/39/15/09/253391509.db2.gz WVKCAUSDUKBDJJ-SECBINFHSA-N 0 0 306.409 0.569 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@@H](O)C2)[C@@H]1c1cnn(C)c1 ZINC000408273356 285163481 /nfs/dbraw/zinc/16/34/81/285163481.db2.gz CDCORVDMTIFFAG-IPYPFGDCSA-N 0 0 320.393 0.313 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346090671 254008752 /nfs/dbraw/zinc/00/87/52/254008752.db2.gz PVDCAISKDFMRPB-KBPBESRZSA-N 0 0 307.369 0.551 10 0 DCAERN CCNS(=O)(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000177183310 220452875 /nfs/dbraw/zinc/45/28/75/220452875.db2.gz QWBSLQIHKKGWKL-SECBINFHSA-N 0 0 304.803 0.758 10 0 DCAERN Cc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)n[nH]1 ZINC000187200387 220458011 /nfs/dbraw/zinc/45/80/11/220458011.db2.gz PHFPZTMBIYVMLS-UHFFFAOYSA-N 0 0 307.383 0.330 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)CCOCc2ccccc2)C1 ZINC000347669583 254177322 /nfs/dbraw/zinc/17/73/22/254177322.db2.gz FCHYJHKMJKCXSB-MRXNPFEDSA-N 0 0 306.362 0.432 10 0 DCAERN CC(=O)N1CCN(Cc2ccc(NC(=O)CC(N)=O)cc2)CC1 ZINC000347925258 254202761 /nfs/dbraw/zinc/20/27/61/254202761.db2.gz PMGPAXJCXIANKP-UHFFFAOYSA-N 0 0 318.377 0.165 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC(C)(C)O ZINC000348001026 254211157 /nfs/dbraw/zinc/21/11/57/254211157.db2.gz FIBPTHRNWQODQU-UHFFFAOYSA-N 0 0 307.350 0.495 10 0 DCAERN C[C@H](Oc1ccccc1F)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350618371 254319409 /nfs/dbraw/zinc/31/94/09/254319409.db2.gz DJQUIZAATZEMST-IUCAKERBSA-N 0 0 304.343 0.386 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)S(N)(=O)=O ZINC000350620808 254319792 /nfs/dbraw/zinc/31/97/92/254319792.db2.gz OPUFNQDREPMRFY-HQJQHLMTSA-N 0 0 318.782 0.437 10 0 DCAERN C[C@H](CNC(=O)c1ccccc1OC(F)F)S(N)(=O)=O ZINC000350619969 254319921 /nfs/dbraw/zinc/31/99/21/254319921.db2.gz LLLBOKPEXDHICK-SSDOTTSWSA-N 0 0 308.306 0.695 10 0 DCAERN COc1ccc(CC(=O)NC[C@@H](C)S(N)(=O)=O)cc1F ZINC000350621492 254320339 /nfs/dbraw/zinc/32/03/39/254320339.db2.gz RYKZUWGCNMUKHQ-MRVPVSSYSA-N 0 0 304.343 0.170 10 0 DCAERN Cn1ccnc1CN1C[C@H](F)C[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000351632904 254355260 /nfs/dbraw/zinc/35/52/60/254355260.db2.gz KXQMISNJGASUMJ-UPJWGTAASA-N 0 0 310.373 0.628 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000408229490 291919896 /nfs/dbraw/zinc/91/98/96/291919896.db2.gz SQPCWVWDELACJJ-KXNHARMFSA-N 0 0 315.391 0.221 10 0 DCAERN CC[N@@H+]1C[C@H]2CN(C(=O)c3cnccn3)CCC[C@@]2(C(=O)[O-])C1 ZINC000249703390 257107207 /nfs/dbraw/zinc/10/72/07/257107207.db2.gz ZQMQOINPGTWVOX-BLLLJJGKSA-N 0 0 318.377 0.735 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2OCC[C@]2(c2nc(C)no2)C1 ZINC000248050288 257109791 /nfs/dbraw/zinc/10/97/91/257109791.db2.gz XAOBXEDKPDNICX-JQWIXIFHSA-N 0 0 301.368 0.460 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2C[C@@H](c3nc(C)no3)O[C@H]2C1 ZINC000248023046 257110183 /nfs/dbraw/zinc/11/01/83/257110183.db2.gz MQHBALOLOABLAK-VWYCJHECSA-N 0 0 301.368 0.880 10 0 DCAERN Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(c3nc(C)no3)C2)on1 ZINC000248024340 257111150 /nfs/dbraw/zinc/11/11/50/257111150.db2.gz NCLORMQQAUMBJC-HZMBPMFUSA-N 0 0 304.306 0.715 10 0 DCAERN Cc1noc(C)c1CN1CC2(C1)CN(C)[C@H](C(=O)N(C)C)CO2 ZINC000248027650 257112159 /nfs/dbraw/zinc/11/21/59/257112159.db2.gz SLTRYKHWFWRUOR-AWEZNQCLSA-N 0 0 322.409 0.265 10 0 DCAERN CN(C)C(=O)CO[C@@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247993401 257113026 /nfs/dbraw/zinc/11/30/26/257113026.db2.gz LYQVOMGVVMVANO-HNNXBMFYSA-N 0 0 318.377 0.965 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@@]2(C[C@@H](Oc3ncccn3)CO2)C1 ZINC000247751895 257118231 /nfs/dbraw/zinc/11/82/31/257118231.db2.gz AZDLOXVDFFXBPC-DVOMOZLQSA-N 0 0 319.361 0.794 10 0 DCAERN O=C([C@@H]1COC[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21)N1CCOCC1 ZINC000247766095 257118605 /nfs/dbraw/zinc/11/86/05/257118605.db2.gz KWRUUGWVWPPJQM-CWRNSKLLSA-N 0 0 320.389 0.833 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000275830955 130395167 /nfs/dbraw/zinc/39/51/67/130395167.db2.gz VIECMQDKYHLCMP-YPMHNXCESA-N 0 0 304.394 0.911 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)CNC(=O)c1ccccn1 ZINC000178650295 285476646 /nfs/dbraw/zinc/47/66/46/285476646.db2.gz MKOOUQWCUWRAEU-UHFFFAOYSA-N 0 0 306.366 0.090 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@@H]2CCc3nccn3C2)CC(=O)N1C ZINC000283568439 131004135 /nfs/dbraw/zinc/00/41/35/131004135.db2.gz QFRRYTCHJUVASL-RYUDHWBXSA-N 0 0 305.382 0.318 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCn3ccnc3)C[C@H]21 ZINC000284167607 131055566 /nfs/dbraw/zinc/05/55/66/131055566.db2.gz WVRIDGGHGZTBGB-KGLIPLIRSA-N 0 0 307.398 0.388 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2cccnc2)CC(C)(C)O1 ZINC000284381531 131075395 /nfs/dbraw/zinc/07/53/95/131075395.db2.gz DTJMZZGUFRAFDV-LLVKDONJSA-N 0 0 300.380 0.896 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Cc3cn4ccccc4n3)C[C@H]21 ZINC000284485999 131085504 /nfs/dbraw/zinc/08/55/04/131085504.db2.gz MRTJSUJOHUXWMK-HUUCEWRRSA-N 0 0 314.389 0.808 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(Br)cn2)C1 ZINC000284518085 131088369 /nfs/dbraw/zinc/08/83/69/131088369.db2.gz LPIVJOMNGBFKSQ-IUCAKERBSA-N 0 0 300.156 0.923 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)Cc2ccnn2C)C1 ZINC000284541744 131090935 /nfs/dbraw/zinc/09/09/35/131090935.db2.gz HRTLERRQAHRTSN-KBPBESRZSA-N 0 0 320.393 0.201 10 0 DCAERN COCCOc1ccc(CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 ZINC000284598032 131096434 /nfs/dbraw/zinc/09/64/34/131096434.db2.gz MVZJGEDEXNDRNB-IUODEOHRSA-N 0 0 320.389 0.834 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000284699974 131105555 /nfs/dbraw/zinc/10/55/55/131105555.db2.gz XLVHXWSQHGPKIF-KBPBESRZSA-N 0 0 314.345 0.587 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)C[C@H]1C(N)=O ZINC000284819197 131113371 /nfs/dbraw/zinc/11/33/71/131113371.db2.gz BUEDAFJQFCDFBM-FXPVBKGRSA-N 0 0 317.345 0.599 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1F ZINC000284984378 131128352 /nfs/dbraw/zinc/12/83/52/131128352.db2.gz LAYKUSAYRYGUJD-XCBNKYQSSA-N 0 0 322.308 0.860 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cn(C)c(C)n1 ZINC000285134889 131141462 /nfs/dbraw/zinc/14/14/62/131141462.db2.gz RUTVPCVTRRCPRR-QWRGUYRKSA-N 0 0 303.384 0.153 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285128704 131141583 /nfs/dbraw/zinc/14/15/83/131141583.db2.gz NWYBEOVDSUDQFH-NWDGAFQWSA-N 0 0 316.317 0.306 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285375679 131162526 /nfs/dbraw/zinc/16/25/26/131162526.db2.gz FPVDWGUYKITSSK-HNNXBMFYSA-N 0 0 310.325 0.216 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@H](F)C[C@H]1CO ZINC000366681819 131586479 /nfs/dbraw/zinc/58/64/79/131586479.db2.gz JHIZWSGPOFEZLB-YIZRAAEISA-N 0 0 312.263 0.329 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1 ZINC000183544240 292032551 /nfs/dbraw/zinc/03/25/51/292032551.db2.gz QCJWAZMDAXJNJC-MNOVXSKESA-N 0 0 310.350 0.905 10 0 DCAERN CCOCCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000010079617 395686002 /nfs/dbraw/zinc/68/60/02/395686002.db2.gz MNIBKXZXVFYDNB-UHFFFAOYSA-N 0 0 315.395 0.560 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000011004583 395686304 /nfs/dbraw/zinc/68/63/04/395686304.db2.gz OPPVBBUIHHRUOX-UHFFFAOYSA-N 0 0 321.358 0.795 10 0 DCAERN CCOC(=O)C[C@H](NC(=O)CBr)C(=O)OCC ZINC000005829206 395682894 /nfs/dbraw/zinc/68/28/94/395682894.db2.gz WJRQZFCPSCUEIN-ZETCQYMHSA-N 0 0 310.144 0.382 10 0 DCAERN COc1cc(F)c(S(=O)(=O)NCC[C@@H](C)O)cc1OC ZINC000086014709 395702777 /nfs/dbraw/zinc/70/27/77/395702777.db2.gz VVGZLABNKHZPIC-MRVPVSSYSA-N 0 0 307.343 0.892 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032412312 395710974 /nfs/dbraw/zinc/71/09/74/395710974.db2.gz QNGDZGSGEFWFQX-GFCCVEGCSA-N 0 0 305.382 0.334 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1O ZINC000089412508 395711419 /nfs/dbraw/zinc/71/14/19/395711419.db2.gz ZULHDDHHLNVKRB-NOZJJQNGSA-N 0 0 302.330 0.755 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)CC2 ZINC000089482542 395711980 /nfs/dbraw/zinc/71/19/80/395711980.db2.gz HOPSCDXJBMGCNC-UTUOFQBUSA-N 0 0 323.397 0.152 10 0 DCAERN Cc1ccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1O ZINC000089442301 395712102 /nfs/dbraw/zinc/71/21/02/395712102.db2.gz ZWRXTFBITNSNJN-GFCCVEGCSA-N 0 0 312.391 0.393 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)s1 ZINC000084796646 395699234 /nfs/dbraw/zinc/69/92/34/395699234.db2.gz ZIQFRUYLPBQOSS-NSHDSACASA-N 0 0 315.376 0.029 10 0 DCAERN NC(=O)c1cncc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000092688087 395732897 /nfs/dbraw/zinc/73/28/97/395732897.db2.gz LRQZHCPNXCXYRK-MFKMUULPSA-N 0 0 315.377 0.555 10 0 DCAERN O=S(=O)(NC1CC1)[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000092071280 395729162 /nfs/dbraw/zinc/72/91/62/395729162.db2.gz WMRZPFHNYZPXRY-ZDUSSCGKSA-N 0 0 321.406 0.385 10 0 DCAERN C[C@H]1OCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000092449802 395731111 /nfs/dbraw/zinc/73/11/11/395731111.db2.gz SJKOMENGXNCONA-VXGBXAGGSA-N 0 0 302.440 0.371 10 0 DCAERN COC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1 ZINC000096854375 395755263 /nfs/dbraw/zinc/75/52/63/395755263.db2.gz ZQGLUBCNJBAJEB-UHFFFAOYSA-N 0 0 315.329 0.896 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000106916873 395784691 /nfs/dbraw/zinc/78/46/91/395784691.db2.gz CIQSGHLGYYJLSZ-CQSZACIVSA-N 0 0 312.435 0.710 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000047100555 395787393 /nfs/dbraw/zinc/78/73/93/395787393.db2.gz BBWABYMXFUEVOG-QWHCGFSZSA-N 0 0 305.382 0.876 10 0 DCAERN C[C@H](Cc1ccsc1)NC(=O)C1CCN(CC(N)=O)CC1 ZINC000097528856 395758569 /nfs/dbraw/zinc/75/85/69/395758569.db2.gz SMIYNHKLBVVTHE-LLVKDONJSA-N 0 0 309.435 0.993 10 0 DCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000270606095 395788767 /nfs/dbraw/zinc/78/87/67/395788767.db2.gz GUAYANKLDSACLG-JBLDHEPKSA-N 0 0 301.368 0.300 10 0 DCAERN CC(C)NC(=O)CCN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000046503609 395778148 /nfs/dbraw/zinc/77/81/48/395778148.db2.gz CPDJXQZMUDWXFK-UHFFFAOYSA-N 0 0 324.469 0.531 10 0 DCAERN Cn1nc2c(c1NC(=O)C(=O)N1CCN(C3CC3)CC1)CCC2 ZINC000270734935 395802460 /nfs/dbraw/zinc/80/24/60/395802460.db2.gz INHLLBNPNCRGNZ-UHFFFAOYSA-N 0 0 317.393 0.154 10 0 DCAERN CN(CC(=O)N1CCNC1=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251068 395804229 /nfs/dbraw/zinc/80/42/29/395804229.db2.gz XVWZIVJRJNIDLO-ZDUSSCGKSA-N 0 0 316.361 0.276 10 0 DCAERN COc1ccc(-n2ccc(CNC(=O)[C@@H]3CNC(=O)C3)n2)cc1 ZINC000194878469 395810374 /nfs/dbraw/zinc/81/03/74/395810374.db2.gz HRRWWHCIQSSHPR-NSHDSACASA-N 0 0 314.345 0.633 10 0 DCAERN COCCN1C[C@@H](C(=O)N[C@H]2COc3ccccc32)CC1=O ZINC000194876071 395810380 /nfs/dbraw/zinc/81/03/80/395810380.db2.gz KUJZCADGXQGXCT-AAEUAGOBSA-N 0 0 304.346 0.731 10 0 DCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)CN1CC(=O)NC1=O ZINC000111618316 395810390 /nfs/dbraw/zinc/81/03/90/395810390.db2.gz YCHMKUUGJBULFK-UHFFFAOYSA-N 0 0 307.354 0.499 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@H]2C1 ZINC000194953241 395812085 /nfs/dbraw/zinc/81/20/85/395812085.db2.gz SOWNOGBOXRKAGD-ILXRZTDVSA-N 0 0 320.389 0.952 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCOCC1 ZINC000194980274 395812743 /nfs/dbraw/zinc/81/27/43/395812743.db2.gz HGXCBARNNFWORT-CQSZACIVSA-N 0 0 305.378 0.809 10 0 DCAERN CNC(=O)CNC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000194980135 395813053 /nfs/dbraw/zinc/81/30/53/395813053.db2.gz ZVXXPYNSNPDABG-UHFFFAOYSA-N 0 0 320.393 0.709 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112329814 395815805 /nfs/dbraw/zinc/81/58/05/395815805.db2.gz XIFWWIUBDNYUJR-GFCCVEGCSA-N 0 0 321.352 0.964 10 0 DCAERN O=C(CCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCC[C@@H]1O ZINC000048524080 395816385 /nfs/dbraw/zinc/81/63/85/395816385.db2.gz CHSVACQCGHTHRB-MQYQWHSLSA-N 0 0 312.410 0.606 10 0 DCAERN COc1ccccc1OCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112652038 395820672 /nfs/dbraw/zinc/82/06/72/395820672.db2.gz YOJHESNGKDGOCV-LLVKDONJSA-N 0 0 302.334 0.797 10 0 DCAERN CCOC1CC(CNC(=O)[C@@H](C)COC)(N2CCOCC2)C1 ZINC000195200074 395820842 /nfs/dbraw/zinc/82/08/42/395820842.db2.gz HXLGXTJFGBGTBR-HLIUYOAVSA-N 0 0 314.426 0.655 10 0 DCAERN CC(=O)NC1(C(=O)N[C@@H]2CCc3ncnn3C2)CCCCC1 ZINC000112650692 395820928 /nfs/dbraw/zinc/82/09/28/395820928.db2.gz ALPVWAKEKRBJKU-GFCCVEGCSA-N 0 0 305.382 0.548 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)CC2 ZINC000195277279 395823003 /nfs/dbraw/zinc/82/30/03/395823003.db2.gz NYIOKUPQGPPIMT-MNOVXSKESA-N 0 0 305.382 0.311 10 0 DCAERN O=C(CNC(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000112725261 395823459 /nfs/dbraw/zinc/82/34/59/395823459.db2.gz NVSKCFGLSVKYGX-VIFPVBQESA-N 0 0 305.363 0.201 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N[C@@H]1COc2ccccc2C1 ZINC000112744410 395824145 /nfs/dbraw/zinc/82/41/45/395824145.db2.gz VSFSDLYIYIFYAM-STQMWFEESA-N 0 0 313.361 0.896 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000112906430 395825508 /nfs/dbraw/zinc/82/55/08/395825508.db2.gz GFMKFTYLPFFGIC-WCQYABFASA-N 0 0 318.377 0.934 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000049213495 395828893 /nfs/dbraw/zinc/82/88/93/395828893.db2.gz QTELWMJWXTZFPW-NSHDSACASA-N 0 0 306.453 0.766 10 0 DCAERN C[C@H](NC(=O)CN1CCC(c2ccnn2C)CC1)C(=O)N(C)C ZINC000195504133 395829460 /nfs/dbraw/zinc/82/94/60/395829460.db2.gz YJEYLVWYUYRETP-LBPRGKRZSA-N 0 0 321.425 0.192 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCn1c2ccccc2oc1=O ZINC000195526537 395831787 /nfs/dbraw/zinc/83/17/87/395831787.db2.gz XFAAFXDJGMIFIM-GFCCVEGCSA-N 0 0 317.345 0.722 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116370797 395844109 /nfs/dbraw/zinc/84/41/09/395844109.db2.gz WVTVEZNVLQVNDH-NSHDSACASA-N 0 0 302.400 0.032 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000116832776 395847136 /nfs/dbraw/zinc/84/71/36/395847136.db2.gz FJCMIUALQQJHEJ-VIFPVBQESA-N 0 0 312.395 0.052 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000116832371 395847217 /nfs/dbraw/zinc/84/72/17/395847217.db2.gz ADPVYVDCHCYBCI-LLVKDONJSA-N 0 0 314.432 0.929 10 0 DCAERN CC(=O)Nc1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116891267 395848479 /nfs/dbraw/zinc/84/84/79/395848479.db2.gz DENMAZULFFQGGE-CQSZACIVSA-N 0 0 311.407 0.769 10 0 DCAERN COC(=O)c1cccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116892344 395848837 /nfs/dbraw/zinc/84/88/37/395848837.db2.gz VAIDZUMMLWYPHN-CYBMUJFWSA-N 0 0 312.391 0.597 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000225480855 395860999 /nfs/dbraw/zinc/86/09/99/395860999.db2.gz CXLSCFYTHOUJBW-MRXNPFEDSA-N 0 0 309.410 0.305 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C ZINC000117285964 395850815 /nfs/dbraw/zinc/85/08/15/395850815.db2.gz HJXWPOVFKPEIDZ-CYBMUJFWSA-N 0 0 305.378 0.804 10 0 DCAERN COCCN1CCN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1C ZINC000117285019 395851217 /nfs/dbraw/zinc/85/12/17/395851217.db2.gz SMVNEMPOKLSKIV-GFCCVEGCSA-N 0 0 305.378 0.578 10 0 DCAERN Cc1noc([C@H](C)N2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000108947713 395795506 /nfs/dbraw/zinc/79/55/06/395795506.db2.gz JWDBRYVWGPHQGF-VIFPVBQESA-N 0 0 314.353 0.928 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCCn2cccn2)cc1 ZINC000109091118 395796248 /nfs/dbraw/zinc/79/62/48/395796248.db2.gz ABJIJAZTEWNWAM-UHFFFAOYSA-N 0 0 302.334 0.438 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC000234576539 395888720 /nfs/dbraw/zinc/88/87/20/395888720.db2.gz HRLFYWKUBWNXNN-GJMOJQLCSA-N 0 0 319.301 0.171 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000234874552 395891081 /nfs/dbraw/zinc/89/10/81/395891081.db2.gz XCHJOUDOCOZDPN-KKOKHZNYSA-N 0 0 305.396 0.815 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](C)C1 ZINC000054484087 395901392 /nfs/dbraw/zinc/90/13/92/395901392.db2.gz LEXDBLVKNMTCTJ-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000126033507 395909149 /nfs/dbraw/zinc/90/91/49/395909149.db2.gz SNLQHWAALAXPMZ-ZDUSSCGKSA-N 0 0 316.361 0.641 10 0 DCAERN Cc1cnn(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000055100772 395911494 /nfs/dbraw/zinc/91/14/94/395911494.db2.gz OPTQIPLXVMHVPU-AWEZNQCLSA-N 0 0 320.393 0.289 10 0 DCAERN CN(C)c1nccc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000134163515 395930535 /nfs/dbraw/zinc/93/05/35/395930535.db2.gz OMRVCBZIOHOCQK-UHFFFAOYSA-N 0 0 301.398 0.598 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000055292283 395916193 /nfs/dbraw/zinc/91/61/93/395916193.db2.gz MYQLIBPIXVMZAR-PHIMTYICSA-N 0 0 315.395 0.534 10 0 DCAERN CCN1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC000244214114 395924341 /nfs/dbraw/zinc/92/43/41/395924341.db2.gz VVYFQZUUUQADJR-UHFFFAOYSA-N 0 0 305.382 0.091 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cnc2n(c1=O)CCS2 ZINC000225657273 395862136 /nfs/dbraw/zinc/86/21/36/395862136.db2.gz NTUXYXSPYZBWNM-GXSJLCMTSA-N 0 0 309.391 0.630 10 0 DCAERN Cn1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1=O ZINC000118670775 395862673 /nfs/dbraw/zinc/86/26/73/395862673.db2.gz PKDCPVATOSUEPS-ZDUSSCGKSA-N 0 0 313.361 0.574 10 0 DCAERN COCCOCCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669700 395863012 /nfs/dbraw/zinc/86/30/12/395863012.db2.gz GPZXHDVXPUJTFI-CYBMUJFWSA-N 0 0 308.382 0.615 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCCO2)N1CCO[C@H](CO)C1 ZINC000271393505 395863447 /nfs/dbraw/zinc/86/34/47/395863447.db2.gz HTZAHKKXXNWXJP-LBPRGKRZSA-N 0 0 313.375 0.393 10 0 DCAERN COc1ccc(C(=O)N2CCN(c3cccnn3)CC2)nn1 ZINC000119128559 395867353 /nfs/dbraw/zinc/86/73/53/395867353.db2.gz DHTDRILMWWSBBD-UHFFFAOYSA-N 0 0 300.322 0.238 10 0 DCAERN CCc1ncc(NC(=O)N2CCN([C@@H](CC)CO)CC2)cn1 ZINC000119192062 395867759 /nfs/dbraw/zinc/86/77/59/395867759.db2.gz HYKWHVQZPQFGLV-ZDUSSCGKSA-N 0 0 307.398 0.959 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000119795711 395875723 /nfs/dbraw/zinc/87/57/23/395875723.db2.gz ZBXNDIAAUBOEFF-UHFFFAOYSA-N 0 0 318.377 0.703 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)co1 ZINC000119820504 395876389 /nfs/dbraw/zinc/87/63/89/395876389.db2.gz IAAZPHGQQXAVIG-JTQLQIEISA-N 0 0 308.315 0.791 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000230310924 395880034 /nfs/dbraw/zinc/88/00/34/395880034.db2.gz ZTUHHTIBFSGGPE-DTWKUNHWSA-N 0 0 305.787 0.919 10 0 DCAERN CCC[C@H]1C[C@H]1NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120002250 395880072 /nfs/dbraw/zinc/88/00/72/395880072.db2.gz BRPMAYBFTNWIDJ-JGVFFNPUSA-N 0 0 302.356 0.924 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000121369906 395883598 /nfs/dbraw/zinc/88/35/98/395883598.db2.gz PIWHTLMUWDWYDD-NSHDSACASA-N 0 0 322.390 0.599 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1nnnn1C1CC1 ZINC000053635820 395886836 /nfs/dbraw/zinc/88/68/36/395886836.db2.gz HOXOIHKODZFXOX-BDAKNGLRSA-N 0 0 324.410 0.213 10 0 DCAERN CCOc1ccnc(N2CCCN([C@H]3CCNC3=O)CC2)n1 ZINC000245707025 395934173 /nfs/dbraw/zinc/93/41/73/395934173.db2.gz YDPQPWCGERLYTN-LBPRGKRZSA-N 0 0 305.382 0.276 10 0 DCAERN Cc1ccccc1-n1nccc1NC(=O)CN1CC(=O)NC1=O ZINC000134944807 395935548 /nfs/dbraw/zinc/93/55/48/395935548.db2.gz NJBQSJMQMYNDFX-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCNC(=O)CC1 ZINC000246081191 395940869 /nfs/dbraw/zinc/94/08/69/395940869.db2.gz BZYPNUYJWRXZBI-IACUBPJLSA-N 0 0 307.394 0.866 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000246193278 395943509 /nfs/dbraw/zinc/94/35/09/395943509.db2.gz IXBYSMODAJRLDO-WOPDTQHZSA-N 0 0 306.362 0.934 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000246296473 395946441 /nfs/dbraw/zinc/94/64/41/395946441.db2.gz XAOVHUIMTPMZLN-UTUOFQBUSA-N 0 0 310.398 0.341 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246464028 395951083 /nfs/dbraw/zinc/95/10/83/395951083.db2.gz JUGUPVMWRZYJQO-CHWSQXEVSA-N 0 0 322.413 0.680 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCCN1c1nccs1 ZINC000246768198 395957181 /nfs/dbraw/zinc/95/71/81/395957181.db2.gz YPXZJXVVDQPOML-DTWKUNHWSA-N 0 0 308.363 0.033 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000246911096 395960693 /nfs/dbraw/zinc/96/06/93/395960693.db2.gz AVIYMDYBMCAQON-ZIAGYGMSSA-N 0 0 320.455 0.395 10 0 DCAERN O=C(CN1CCS[C@H]2COCC[C@H]21)NCc1cccnc1 ZINC000246912949 395961024 /nfs/dbraw/zinc/96/10/24/395961024.db2.gz MRWPLOGMBSHUHO-KGLIPLIRSA-N 0 0 307.419 0.904 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246985399 395963008 /nfs/dbraw/zinc/96/30/08/395963008.db2.gz FUOXZYVRJZRFMF-QWHCGFSZSA-N 0 0 314.430 0.393 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000148411456 395968599 /nfs/dbraw/zinc/96/85/99/395968599.db2.gz YNCCPZVZYRCNSC-ZDUSSCGKSA-N 0 0 316.361 0.826 10 0 DCAERN O=C1[C@@H](N2CC[C@H](N3CCOCC3)C2)CCN1CC(F)(F)F ZINC000247190787 395968589 /nfs/dbraw/zinc/96/85/89/395968589.db2.gz SROSOZACGAGQNS-RYUDHWBXSA-N 0 0 321.343 0.556 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2C)cc1 ZINC000149326231 395969618 /nfs/dbraw/zinc/96/96/18/395969618.db2.gz LZFYTXNWONUNOR-MFKMUULPSA-N 0 0 313.375 0.858 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000247221614 395970029 /nfs/dbraw/zinc/97/00/29/395970029.db2.gz VOERAMHDFJEOFL-GXFFZTMASA-N 0 0 320.361 0.622 10 0 DCAERN CNC(=O)[C@H]1CCCN(c2ccc(C(=O)OC)c(OC)n2)C1 ZINC000274714050 395970480 /nfs/dbraw/zinc/97/04/80/395970480.db2.gz YWYUEBNWAJQNJR-JTQLQIEISA-N 0 0 307.350 0.839 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cc12 ZINC000150276098 395971276 /nfs/dbraw/zinc/97/12/76/395971276.db2.gz LUFSPYNFYUJDQQ-WCBMZHEXSA-N 0 0 301.350 0.992 10 0 DCAERN Cn1cc(NC(=O)CSc2ccccc2)c(=O)n(C)c1=O ZINC000150738817 395971925 /nfs/dbraw/zinc/97/19/25/395971925.db2.gz RNXXRCZTDNAWNI-UHFFFAOYSA-N 0 0 305.359 0.815 10 0 DCAERN CCc1ccc(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150740806 395971974 /nfs/dbraw/zinc/97/19/74/395971974.db2.gz NAFBJCBFKSBHGW-UHFFFAOYSA-N 0 0 317.345 0.664 10 0 DCAERN Cn1cc(NC(=O)CCc2cccc(F)c2F)c(=O)n(C)c1=O ZINC000150736293 395972009 /nfs/dbraw/zinc/97/20/09/395972009.db2.gz KEPARWKLPFULAO-UHFFFAOYSA-N 0 0 323.299 0.934 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCc2nccn2CC(C)C)C1 ZINC000150810182 395973266 /nfs/dbraw/zinc/97/32/66/395973266.db2.gz JOLWCABNKOPOKC-CYBMUJFWSA-N 0 0 307.398 0.959 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000150835606 395973660 /nfs/dbraw/zinc/97/36/60/395973660.db2.gz SCBBQGBGRBAXTD-SNVBAGLBSA-N 0 0 322.340 0.053 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000247560870 395976588 /nfs/dbraw/zinc/97/65/88/395976588.db2.gz UUQREHSWUVNYQR-XUXIUFHCSA-N 0 0 312.410 0.753 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000247617968 395977421 /nfs/dbraw/zinc/97/74/21/395977421.db2.gz STMGEIWCWVHNRO-LOWDOPEQSA-N 0 0 301.408 0.885 10 0 DCAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000247755710 395978848 /nfs/dbraw/zinc/97/88/48/395978848.db2.gz VZTIDZHMIXYFMF-ZIAGYGMSSA-N 0 0 319.340 0.345 10 0 DCAERN O=C(CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CCOCC1 ZINC000151266657 395982920 /nfs/dbraw/zinc/98/29/20/395982920.db2.gz BMXNPAIFDUXIMS-RHSMWYFYSA-N 0 0 324.421 0.779 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000151258642 395982927 /nfs/dbraw/zinc/98/29/27/395982927.db2.gz RUIXKOSYKNSAOW-LLVKDONJSA-N 0 0 301.350 0.804 10 0 DCAERN CC(C)[C@H](C(=O)NCc1cscn1)N1CCCS1(=O)=O ZINC000151398988 395985334 /nfs/dbraw/zinc/98/53/34/395985334.db2.gz PFETVIHREJVZPT-LLVKDONJSA-N 0 0 317.436 0.819 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CNCC(F)(F)F)C2)cn1 ZINC000151497665 395986587 /nfs/dbraw/zinc/98/65/87/395986587.db2.gz NFJAJHFXULEELI-SNVBAGLBSA-N 0 0 319.331 0.657 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CNCC(F)(F)F)C2)cn1 ZINC000151497572 395986708 /nfs/dbraw/zinc/98/67/08/395986708.db2.gz NFJAJHFXULEELI-JTQLQIEISA-N 0 0 319.331 0.657 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@H]1C)c1nnc2n1CCCC2 ZINC000248672964 395993700 /nfs/dbraw/zinc/99/37/00/395993700.db2.gz BWYJMEASQLYXKU-GHMZBOCLSA-N 0 0 313.427 0.994 10 0 DCAERN O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1CCC(=O)NC1=O ZINC000152172883 396002165 /nfs/dbraw/zinc/00/21/65/396002165.db2.gz RHJKFYXZFPDLMK-STQMWFEESA-N 0 0 302.330 0.612 10 0 DCAERN Cn1c2cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)ccc2[nH]c1=O ZINC000153557648 396025191 /nfs/dbraw/zinc/02/51/91/396025191.db2.gz JBXVHNOPSUCZDJ-SNVBAGLBSA-N 0 0 302.334 0.217 10 0 DCAERN O=C(NCCN1CCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276748379 396025173 /nfs/dbraw/zinc/02/51/73/396025173.db2.gz XLELQAXFNAWAEB-LSDHHAIUSA-N 0 0 305.378 0.608 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153761512 396025401 /nfs/dbraw/zinc/02/54/01/396025401.db2.gz NRTLTYKTWMYKTC-UWVGGRQHSA-N 0 0 302.338 0.501 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000253356370 396026032 /nfs/dbraw/zinc/02/60/32/396026032.db2.gz PFQHDRNPQMGYPI-OUAUKWLOSA-N 0 0 307.350 0.510 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c(=O)[nH]c1C ZINC000153839484 396026611 /nfs/dbraw/zinc/02/66/11/396026611.db2.gz IHGBRQRJGISVAG-NEPJUHHUSA-N 0 0 307.350 0.407 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@H]2CCNC(=O)C2)c2ccccc2)[nH]1 ZINC000153987369 396028261 /nfs/dbraw/zinc/02/82/61/396028261.db2.gz NREIYHJUXWIDFC-GXTWGEPZSA-N 0 0 313.361 0.845 10 0 DCAERN CNc1nc(OC)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000253570568 396031698 /nfs/dbraw/zinc/03/16/98/396031698.db2.gz NTUJDVYEVZFUPB-UHFFFAOYSA-N 0 0 324.385 0.979 10 0 DCAERN O=C(N[C@@H](CO)Cc1ccccc1)C(=S)N1CCOCC1 ZINC000256030655 396033570 /nfs/dbraw/zinc/03/35/70/396033570.db2.gz QYYHMBUEJUFSDZ-CYBMUJFWSA-N 0 0 308.403 0.366 10 0 DCAERN COCC(=O)N1C[C@@H](CF)C2(C1)CCN(S(C)(=O)=O)CC2 ZINC000257176465 396034059 /nfs/dbraw/zinc/03/40/59/396034059.db2.gz SWKDKYLVLFWKQW-LLVKDONJSA-N 0 0 322.402 0.103 10 0 DCAERN COCC(=O)N[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1c1nc(C)no1 ZINC000257179764 396034365 /nfs/dbraw/zinc/03/43/65/396034365.db2.gz CXHJAWFCZONOOM-NWDGAFQWSA-N 0 0 322.365 0.235 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)N[C@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000276903904 396035745 /nfs/dbraw/zinc/03/57/45/396035745.db2.gz OFZRZLBTWAUQDU-QWHCGFSZSA-N 0 0 321.381 0.217 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000277073902 396047999 /nfs/dbraw/zinc/04/79/99/396047999.db2.gz PBZQMASMYQRTBN-ZANVPECISA-N 0 0 319.329 0.801 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)nn1C ZINC000155195312 396048898 /nfs/dbraw/zinc/04/88/98/396048898.db2.gz UKSZKYDYZGYZEA-SNVBAGLBSA-N 0 0 304.354 0.731 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)C1=O ZINC000155420019 396051439 /nfs/dbraw/zinc/05/14/39/396051439.db2.gz KIDOJJGYWFSAQD-LBPRGKRZSA-N 0 0 318.381 0.293 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)o1 ZINC000155513877 396053112 /nfs/dbraw/zinc/05/31/12/396053112.db2.gz LWUZSFJYQSJXRD-UWVGGRQHSA-N 0 0 316.379 0.469 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000276593714 396013418 /nfs/dbraw/zinc/01/34/18/396013418.db2.gz VASPASRQSGXIAA-NWDGAFQWSA-N 0 0 315.381 0.612 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000250154741 396013591 /nfs/dbraw/zinc/01/35/91/396013591.db2.gz NQFBMVRSQFKCJM-RWMBFGLXSA-N 0 0 314.430 0.310 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)OC[C@H]1CCCO1)N1CCOCC1 ZINC000250043144 396013862 /nfs/dbraw/zinc/01/38/62/396013862.db2.gz GNJHMXJNVZCIGA-HZSPNIEDSA-N 0 0 300.399 0.407 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000250428906 396014537 /nfs/dbraw/zinc/01/45/37/396014537.db2.gz HGPMKWPLSKSAPR-XQQFMLRXSA-N 0 0 309.410 0.666 10 0 DCAERN CCn1ncc(N2CCC(NC(=O)[C@H]3CCOC3)CC2)cc1=O ZINC000169762360 396091260 /nfs/dbraw/zinc/09/12/60/396091260.db2.gz YIACORMYXTUNPG-LBPRGKRZSA-N 0 0 320.393 0.385 10 0 DCAERN COCCOCC(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000262028515 396091432 /nfs/dbraw/zinc/09/14/32/396091432.db2.gz SBMJYRRYMNOETF-CQSZACIVSA-N 0 0 308.378 0.831 10 0 DCAERN COc1cc(OC)c(S(=O)(=O)N2CCNCC2)c(OC)c1 ZINC000262036650 396092618 /nfs/dbraw/zinc/09/26/18/396092618.db2.gz KRBVYGGGHVDBQA-UHFFFAOYSA-N 0 0 316.379 0.306 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC3(O)CCCC3)C2)cn1 ZINC000175718235 396141403 /nfs/dbraw/zinc/14/14/03/396141403.db2.gz VUFJREKOOCDRHW-ZDUSSCGKSA-N 0 0 321.425 0.993 10 0 DCAERN COCCN1C[C@@H](C(=O)NCc2ccc(CO)c(F)c2)CC1=O ZINC000170854018 396098477 /nfs/dbraw/zinc/09/84/77/396098477.db2.gz VKHDHHWAEXGORN-ZDUSSCGKSA-N 0 0 324.352 0.429 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000170894401 396100313 /nfs/dbraw/zinc/10/03/13/396100313.db2.gz HZIOHLQOQZGEQJ-CYBMUJFWSA-N 0 0 323.397 0.868 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@H]3CN(C)CCO3)sc2n1 ZINC000170999730 396103073 /nfs/dbraw/zinc/10/30/73/396103073.db2.gz YFEHUPWQZDVDOM-NSHDSACASA-N 0 0 323.422 0.846 10 0 DCAERN COc1cccc(N2CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)C2)c1 ZINC000171019142 396103919 /nfs/dbraw/zinc/10/39/19/396103919.db2.gz LKYSWPGGUGUUPV-RYUDHWBXSA-N 0 0 320.393 0.695 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000278075807 396105025 /nfs/dbraw/zinc/10/50/25/396105025.db2.gz UDZHRIRNJOOMGZ-UHFFFAOYSA-N 0 0 324.410 0.967 10 0 DCAERN Cn1cc(NC(=O)NCCN2CCOC(C)(C)C2)ccc1=O ZINC000171165290 396108709 /nfs/dbraw/zinc/10/87/09/396108709.db2.gz KODZZDWPQYVJKK-UHFFFAOYSA-N 0 0 308.382 0.618 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)C(N)=O ZINC000171217306 396110763 /nfs/dbraw/zinc/11/07/63/396110763.db2.gz CBVGLZJJGRHDNO-SECBINFHSA-N 0 0 310.329 0.658 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000175795553 396142659 /nfs/dbraw/zinc/14/26/59/396142659.db2.gz SJWFTBZNRHZEAM-CYBMUJFWSA-N 0 0 316.361 0.638 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)C(C)(C)OC)s1 ZINC000171589994 396119926 /nfs/dbraw/zinc/11/99/26/396119926.db2.gz AGJJLRAOBDRDQF-UHFFFAOYSA-N 0 0 306.409 0.697 10 0 DCAERN CC(C)(O)CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171749205 396124236 /nfs/dbraw/zinc/12/42/36/396124236.db2.gz BBSPFRQXKNMJAV-LLVKDONJSA-N 0 0 312.391 0.975 10 0 DCAERN Cc1cccc2nc(CNC(=O)NC[C@@H]3CN(C)CCO3)cn21 ZINC000171741485 396124536 /nfs/dbraw/zinc/12/45/36/396124536.db2.gz DWJBQRZSFHFDKL-CQSZACIVSA-N 0 0 317.393 0.773 10 0 DCAERN Cc1ccc(NC(=O)CN(C)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000171883186 396127841 /nfs/dbraw/zinc/12/78/41/396127841.db2.gz IQHOXTZOYKLFJO-OAHLLOKOSA-N 0 0 319.405 0.849 10 0 DCAERN CN1C[C@H](NC(=O)NCCCOCC(F)(F)F)CCC1=O ZINC000172354985 396131423 /nfs/dbraw/zinc/13/14/23/396131423.db2.gz BWTWJJDQYPZPJO-SECBINFHSA-N 0 0 311.304 0.875 10 0 DCAERN Cn1c(CNC(=O)N[C@H]2CCC(=O)N(C)C2)nc2ccccc21 ZINC000172523933 396132301 /nfs/dbraw/zinc/13/23/01/396132301.db2.gz PBPBNTZMJCIXPD-NSHDSACASA-N 0 0 315.377 0.993 10 0 DCAERN CC1(C)[C@@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 ZINC000174021519 396136937 /nfs/dbraw/zinc/13/69/37/396136937.db2.gz PFJXQGWSMLTUHW-TXEJJXNPSA-N 0 0 313.357 0.804 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCCCC1 ZINC000174027733 396137160 /nfs/dbraw/zinc/13/71/60/396137160.db2.gz JBHBZKJEYPHXRY-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000278673703 396138845 /nfs/dbraw/zinc/13/88/45/396138845.db2.gz TUBKHGMXZRMRKY-QWHCGFSZSA-N 0 0 304.394 0.995 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(Cc2ccncc2)CC1 ZINC000279215826 396158662 /nfs/dbraw/zinc/15/86/62/396158662.db2.gz HKQRFWQGOBHEDO-UHFFFAOYSA-N 0 0 324.450 0.976 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2cnc(N(C)C)n2C)C1 ZINC000074356483 396164414 /nfs/dbraw/zinc/16/44/14/396164414.db2.gz XLYMDGSFYLEMQC-NSHDSACASA-N 0 0 315.443 0.552 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000177018983 396164636 /nfs/dbraw/zinc/16/46/36/396164636.db2.gz KZBTVEAXAZGUAM-LLVKDONJSA-N 0 0 316.361 0.913 10 0 DCAERN C[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)CCS1(=O)=O ZINC000177207342 396169361 /nfs/dbraw/zinc/16/93/61/396169361.db2.gz QZEBIDYOSRXLDF-LBPRGKRZSA-N 0 0 306.391 0.886 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C2CC2)CC1 ZINC000279492058 396179121 /nfs/dbraw/zinc/17/91/21/396179121.db2.gz JHNGGEUYSWAKLU-KRWDZBQOSA-N 0 0 319.405 0.214 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000177606972 396179701 /nfs/dbraw/zinc/17/97/01/396179701.db2.gz NEJBYDKPYDIBQS-VXGBXAGGSA-N 0 0 323.368 0.678 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccon2)CC1 ZINC000075857680 396188156 /nfs/dbraw/zinc/18/81/56/396188156.db2.gz OQVZPZOAAIVALP-GFCCVEGCSA-N 0 0 323.397 0.415 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000280308921 396192156 /nfs/dbraw/zinc/19/21/56/396192156.db2.gz NJDKIOYXRRPBGG-OLZOCXBDSA-N 0 0 320.393 0.290 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2ccncc2)CC1 ZINC000262972064 396195536 /nfs/dbraw/zinc/19/55/36/396195536.db2.gz LXJRTKTVVJIAAG-ZDUSSCGKSA-N 0 0 310.348 0.723 10 0 DCAERN O=C(NCc1nncn1-c1ccccc1)[C@@H]1CC(F)(F)CN1 ZINC000263044481 396199197 /nfs/dbraw/zinc/19/91/97/396199197.db2.gz TYJNXVWDURNREX-NSHDSACASA-N 0 0 307.304 0.881 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263082851 396200822 /nfs/dbraw/zinc/20/08/22/396200822.db2.gz XQXGYSCZGNSUHV-WDEREUQCSA-N 0 0 300.305 0.842 10 0 DCAERN COC(C)(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000178656641 396202688 /nfs/dbraw/zinc/20/26/88/396202688.db2.gz WDCCOUCDNVMIBY-UHFFFAOYSA-N 0 0 320.436 0.910 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263146712 396202908 /nfs/dbraw/zinc/20/29/08/396202908.db2.gz CVBXUCKEQOUHNX-GRYCIOLGSA-N 0 0 318.364 0.762 10 0 DCAERN Cc1nc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000178651111 396203223 /nfs/dbraw/zinc/20/32/23/396203223.db2.gz UGPLUUVLSSEXNO-VIFPVBQESA-N 0 0 303.409 0.524 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC(=O)NCC3CC3)cnc12 ZINC000180881344 396235190 /nfs/dbraw/zinc/23/51/90/396235190.db2.gz ATAZSRCAHURVDW-UHFFFAOYSA-N 0 0 314.345 0.259 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000180873778 396235225 /nfs/dbraw/zinc/23/52/25/396235225.db2.gz SOHIBWVHNJCOQN-NXEZZACHSA-N 0 0 314.345 0.649 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n(C)n1 ZINC000077939493 396237096 /nfs/dbraw/zinc/23/70/96/396237096.db2.gz HNWUAHKAPVWHOX-JQWIXIFHSA-N 0 0 308.382 0.588 10 0 DCAERN CS[C@@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181386830 396238976 /nfs/dbraw/zinc/23/89/76/396238976.db2.gz XTVJFNPZBPPWJN-VIFPVBQESA-N 0 0 319.452 0.757 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCNC(=O)C1CC1 ZINC000181619762 396240624 /nfs/dbraw/zinc/24/06/24/396240624.db2.gz AKOJIBCVXFAZTN-UHFFFAOYSA-N 0 0 317.349 0.233 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCCn1ccnc1 ZINC000181679854 396241231 /nfs/dbraw/zinc/24/12/31/396241231.db2.gz KVMSOLBZXROQMR-UHFFFAOYSA-N 0 0 314.349 0.994 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181770882 396242291 /nfs/dbraw/zinc/24/22/91/396242291.db2.gz WNXBBISRWWUJFW-UHFFFAOYSA-N 0 0 316.365 0.489 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1F ZINC000181769062 396242356 /nfs/dbraw/zinc/24/23/56/396242356.db2.gz IXEKOLCRRHQSEK-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN CN(C)c1c(Cl)cccc1NC(=O)CN1CC(=O)NC1=O ZINC000078599722 396248435 /nfs/dbraw/zinc/24/84/35/396248435.db2.gz BXMSIJDIVGTMSC-UHFFFAOYSA-N 0 0 310.741 0.896 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC=C(Br)C2)C1=O ZINC000282337183 396281891 /nfs/dbraw/zinc/28/18/91/396281891.db2.gz OPPOWBLTZGZFPA-UHFFFAOYSA-N 0 0 316.155 0.392 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCn1ccnn1 ZINC000182463855 396250903 /nfs/dbraw/zinc/25/09/03/396250903.db2.gz SYTNGAFGEUFJKK-CYBMUJFWSA-N 0 0 322.413 0.711 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1ccc2nnn(C)c2c1 ZINC000182664663 396252443 /nfs/dbraw/zinc/25/24/43/396252443.db2.gz OMFYNQLHMILKPI-UHFFFAOYSA-N 0 0 319.365 0.145 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1csc(=O)[nH]1 ZINC000182733868 396253435 /nfs/dbraw/zinc/25/34/35/396253435.db2.gz XUSKEIJHSVSEHS-UHFFFAOYSA-N 0 0 319.346 0.657 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)C[S@](C)=O ZINC000182895628 396256811 /nfs/dbraw/zinc/25/68/11/396256811.db2.gz HDVAWLAIRAXTPY-PPRQPISWSA-N 0 0 310.379 0.474 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182980961 396258171 /nfs/dbraw/zinc/25/81/71/396258171.db2.gz IANFTNWECNPBRT-LBPRGKRZSA-N 0 0 307.398 0.822 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000182998456 396258183 /nfs/dbraw/zinc/25/81/83/396258183.db2.gz JAHQPWNZUWKFKF-SECBINFHSA-N 0 0 319.287 0.195 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NCCCn1ccnn1 ZINC000182992128 396258231 /nfs/dbraw/zinc/25/82/31/396258231.db2.gz PFJQHLOKADHSEE-UHFFFAOYSA-N 0 0 313.317 0.081 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)NCCCn2ccnn2)cc1 ZINC000183000667 396258530 /nfs/dbraw/zinc/25/85/30/396258530.db2.gz NZPDHZNAOIOSQH-UHFFFAOYSA-N 0 0 301.350 0.800 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000183056901 396259807 /nfs/dbraw/zinc/25/98/07/396259807.db2.gz NEVGBRWIPUGTKG-CYBMUJFWSA-N 0 0 315.381 0.641 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)NCCCn2ccnn2)s1 ZINC000183160379 396263841 /nfs/dbraw/zinc/26/38/41/396263841.db2.gz QLFQNCYIDIGJKK-UHFFFAOYSA-N 0 0 301.397 0.720 10 0 DCAERN O=C1[C@H](NS(=O)(=O)CCCF)CCCN1c1cccnc1 ZINC000183170922 396264122 /nfs/dbraw/zinc/26/41/22/396264122.db2.gz IGMIDPWDHSQYAB-GFCCVEGCSA-N 0 0 315.370 0.856 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000282145885 396266684 /nfs/dbraw/zinc/26/66/84/396266684.db2.gz HZUWJHHBJHIMGL-OCCSQVGLSA-N 0 0 319.409 0.972 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cn3ccccc3n2)CC(=O)N1C ZINC000282174473 396268747 /nfs/dbraw/zinc/26/87/47/396268747.db2.gz LBBDBIZLQXASME-NSHDSACASA-N 0 0 301.350 0.706 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H](CO)Cc1ccccc1 ZINC000183557251 396270839 /nfs/dbraw/zinc/27/08/39/396270839.db2.gz XWZMURJISVMQQP-CQSZACIVSA-N 0 0 303.366 0.571 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000183859243 396276417 /nfs/dbraw/zinc/27/64/17/396276417.db2.gz UBFMYOMVLBTUAA-WSVYEEACSA-N 0 0 317.455 0.973 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000184073233 396283452 /nfs/dbraw/zinc/28/34/52/396283452.db2.gz YTAAAMRROHDZOG-CABCVRRESA-N 0 0 317.389 0.902 10 0 DCAERN O=C(c1cccc(N[C@@H]2CCNC2=O)c1)N1CCC[C@@H](O)C1 ZINC000179044889 396219742 /nfs/dbraw/zinc/21/97/42/396219742.db2.gz KSEFJPMHBJKYNZ-ZIAGYGMSSA-N 0 0 303.362 0.584 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NC[C@]2(O)CCOC2)cc1C ZINC000179087444 396221489 /nfs/dbraw/zinc/22/14/89/396221489.db2.gz MHGZWWBOYPVDAG-MRXNPFEDSA-N 0 0 306.362 0.301 10 0 DCAERN Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@@H](O)C[C@@H]3CO)ccc12 ZINC000179172540 396222744 /nfs/dbraw/zinc/22/27/44/396222744.db2.gz CMDHIRFPBCECNE-OLZOCXBDSA-N 0 0 319.357 0.908 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN([C@H](CC)CO)CC2)C1 ZINC000179407273 396226439 /nfs/dbraw/zinc/22/64/39/396226439.db2.gz IUJLCIMSXVGGGE-UONOGXRCSA-N 0 0 311.426 0.160 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCCNC(=O)N(C)C)C(C)C ZINC000180627761 396233614 /nfs/dbraw/zinc/23/36/14/396233614.db2.gz LQAJFWCUCAIWDQ-ZDUSSCGKSA-N 0 0 314.430 0.561 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCCOC)CCN1C[C@@H](C)O ZINC000184955463 396311873 /nfs/dbraw/zinc/31/18/73/396311873.db2.gz OXWOJQRSCIFQQC-KGLIPLIRSA-N 0 0 322.471 0.520 10 0 DCAERN Cc1noc([C@@H]2COCCN2CC(=O)N(C)CC(F)(F)F)n1 ZINC000185078071 396316835 /nfs/dbraw/zinc/31/68/35/396316835.db2.gz GLPWJFUKWYTXKU-VIFPVBQESA-N 0 0 322.287 0.772 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000185087454 396316850 /nfs/dbraw/zinc/31/68/50/396316850.db2.gz XZAUYLAGBIEQAC-GFCCVEGCSA-N 0 0 300.305 0.445 10 0 DCAERN CC1CCC(N(C(=O)CN2C[C@@H](O)C[C@@H]2CO)C2CC2)CC1 ZINC000185185562 396321057 /nfs/dbraw/zinc/32/10/57/396321057.db2.gz INEZPHSRPHHYLH-GMEATFMZSA-N 0 0 310.438 0.984 10 0 DCAERN Cn1c(CN2CCO[C@]3(CCOC3)C2)nc2ccccc2c1=O ZINC000185134067 396319028 /nfs/dbraw/zinc/31/90/28/396319028.db2.gz SERYGLVQKZSNMJ-QGZVFWFLSA-N 0 0 315.373 0.925 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000184083987 396284431 /nfs/dbraw/zinc/28/44/31/396284431.db2.gz YOXACAQVXCNVFK-STQMWFEESA-N 0 0 300.305 0.445 10 0 DCAERN Cc1ccc(CS(=O)(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000184128537 396286411 /nfs/dbraw/zinc/28/64/11/396286411.db2.gz LKYNOECAHQQJSD-ZDUSSCGKSA-N 0 0 316.398 0.884 10 0 DCAERN C[C@]1(C(=O)N[C@@H]2COc3ccccc3C2=O)CCC(=O)NC1 ZINC000282757479 396291925 /nfs/dbraw/zinc/29/19/25/396291925.db2.gz NYUXDXKUBAQDJX-BZNIZROVSA-N 0 0 302.330 0.663 10 0 DCAERN CC(C)C(=O)N1CCCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000184418639 396294553 /nfs/dbraw/zinc/29/45/53/396294553.db2.gz BSPUILZJZTWCND-QWHCGFSZSA-N 0 0 318.439 0.684 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185159296 396320299 /nfs/dbraw/zinc/32/02/99/396320299.db2.gz ZJCLCDCIDMJXPY-MNOVXSKESA-N 0 0 311.348 0.442 10 0 DCAERN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)N[C@@H]1CCCOC1 ZINC000184713438 396302653 /nfs/dbraw/zinc/30/26/53/396302653.db2.gz WEZYCQGNQUCXBM-PWSUYJOCSA-N 0 0 310.375 0.993 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000184775735 396305427 /nfs/dbraw/zinc/30/54/27/396305427.db2.gz ARIQDFDGSVTECW-QWHCGFSZSA-N 0 0 320.455 0.978 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCNC(=O)[C@H]2C(C)C)no1 ZINC000265325520 396307746 /nfs/dbraw/zinc/30/77/46/396307746.db2.gz LKEAKVYNYDINQR-LLVKDONJSA-N 0 0 301.368 0.269 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccnc(C)n2)CC1 ZINC000184922349 396310826 /nfs/dbraw/zinc/31/08/26/396310826.db2.gz JYDMYEHJTLAJFV-AWEZNQCLSA-N 0 0 307.398 0.383 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCCOc2ccccc2F)C1 ZINC000185240379 396322373 /nfs/dbraw/zinc/32/23/73/396322373.db2.gz MGMHBDHTKWVYOH-UHFFFAOYSA-N 0 0 324.352 0.958 10 0 DCAERN CCc1ccccc1CNC(=O)N1CC(NC(=O)COC)C1 ZINC000185495520 396328944 /nfs/dbraw/zinc/32/89/44/396328944.db2.gz XCJSOMNJLMTEAW-UHFFFAOYSA-N 0 0 305.378 0.905 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265679948 396336832 /nfs/dbraw/zinc/33/68/32/396336832.db2.gz IZTYAGPPVJHOAC-MNOVXSKESA-N 0 0 300.384 0.100 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000185929797 396337957 /nfs/dbraw/zinc/33/79/57/396337957.db2.gz MCRDVHXMSLSRAR-UHFFFAOYSA-N 0 0 312.347 0.635 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccnc(N2CCCC2)n1 ZINC000265724856 396339663 /nfs/dbraw/zinc/33/96/63/396339663.db2.gz OOLJYKMEKRYSMR-UHFFFAOYSA-N 0 0 317.393 0.819 10 0 DCAERN CCN(CC(F)F)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000185806529 396335353 /nfs/dbraw/zinc/33/53/53/396335353.db2.gz ZTRKTGCGEOJAAR-UHFFFAOYSA-N 0 0 311.288 0.803 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000265671837 396335413 /nfs/dbraw/zinc/33/54/13/396335413.db2.gz WUXLMAFTYRGKPX-JTQLQIEISA-N 0 0 319.404 0.503 10 0 DCAERN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CC(=O)NC)c1 ZINC000185852704 396336037 /nfs/dbraw/zinc/33/60/37/396336037.db2.gz SCFCYEUOXDUESR-LLVKDONJSA-N 0 0 305.378 0.967 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000186198396 396344630 /nfs/dbraw/zinc/34/46/30/396344630.db2.gz DIDISLIZFAJWAC-UHFFFAOYSA-N 0 0 318.361 0.923 10 0 DCAERN Cn1nccc1C1=CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000285156430 396347986 /nfs/dbraw/zinc/34/79/86/396347986.db2.gz SFXQWDMXIQMYHM-ZDUSSCGKSA-N 0 0 317.393 0.888 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC1(CO)CCC1)CC2 ZINC000186254439 396346331 /nfs/dbraw/zinc/34/63/31/396346331.db2.gz HJLJOHISNJPFKV-NSHDSACASA-N 0 0 307.398 0.931 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000284879537 396347861 /nfs/dbraw/zinc/34/78/61/396347861.db2.gz ZGUYXDJWIIOGPM-SNVBAGLBSA-N 0 0 324.811 0.402 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285791675 396353525 /nfs/dbraw/zinc/35/35/25/396353525.db2.gz LZVREKRWDVABRF-WDEREUQCSA-N 0 0 316.365 0.579 10 0 DCAERN O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186636223 396354173 /nfs/dbraw/zinc/35/41/73/396354173.db2.gz QNJKODSRLPQJLE-AEFFLSMTSA-N 0 0 318.417 0.811 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NC2Cc3ccccc3C2)C1 ZINC000186676541 396355620 /nfs/dbraw/zinc/35/56/20/396355620.db2.gz LVDPAFZORIESRD-ZDUSSCGKSA-N 0 0 323.418 0.487 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186704758 396355923 /nfs/dbraw/zinc/35/59/23/396355923.db2.gz SVCNTZXQTONEKU-NSHDSACASA-N 0 0 319.409 0.748 10 0 DCAERN COc1cccc(CS(=O)(=O)NC(C)(C)CC(N)=O)c1 ZINC000186706216 396356392 /nfs/dbraw/zinc/35/63/92/396356392.db2.gz QTALSHYLKCHQFW-UHFFFAOYSA-N 0 0 300.380 0.769 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1)N1CCOCC1 ZINC000187033762 396362168 /nfs/dbraw/zinc/36/21/68/396362168.db2.gz WPTIPYACJJTAPS-NWDGAFQWSA-N 0 0 324.425 0.016 10 0 DCAERN COC[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccco1 ZINC000187401778 396369424 /nfs/dbraw/zinc/36/94/24/396369424.db2.gz RBICYHKXLQJTQW-LBPRGKRZSA-N 0 0 307.350 0.887 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000187491370 396370599 /nfs/dbraw/zinc/37/05/99/396370599.db2.gz FNHPTMDUXHBPGR-UHFFFAOYSA-N 0 0 322.409 0.796 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000187542551 396370971 /nfs/dbraw/zinc/37/09/71/396370971.db2.gz YQZZENMUHXOTOP-GFCCVEGCSA-N 0 0 306.366 0.903 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCCOc2ccccc2C)C1 ZINC000286045723 396371662 /nfs/dbraw/zinc/37/16/62/396371662.db2.gz FDMRRCNWRSKKTL-QGZVFWFLSA-N 0 0 320.389 0.863 10 0 DCAERN COCC(=O)NC1CN(C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000187720704 396373385 /nfs/dbraw/zinc/37/33/85/396373385.db2.gz JLQCHTSUDKQTQG-UHFFFAOYSA-N 0 0 310.379 0.999 10 0 DCAERN O=C(CN1CSCC1=O)N1CCCN(c2ccccn2)CC1 ZINC000186423303 396349290 /nfs/dbraw/zinc/34/92/90/396349290.db2.gz ANHOKRDZGSHJGX-UHFFFAOYSA-N 0 0 320.418 0.653 10 0 DCAERN CCOC(=O)NCC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186395855 396349422 /nfs/dbraw/zinc/34/94/22/396349422.db2.gz LXACXSRUDJRKEW-UHFFFAOYSA-N 0 0 306.366 0.866 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C12CCOCC2 ZINC000186462168 396350583 /nfs/dbraw/zinc/35/05/83/396350583.db2.gz LERMXCSVJCOVBU-NEPJUHHUSA-N 0 0 308.382 0.828 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H](CCO)c1ccco1 ZINC000187790054 396374177 /nfs/dbraw/zinc/37/41/77/396374177.db2.gz QKMHEQWFBBSVEJ-NSHDSACASA-N 0 0 303.318 0.644 10 0 DCAERN CN1CC[C@@H](CNC(=O)N2C[C@@H](O)C[C@H]2CO)c2ccccc21 ZINC000188475726 396382625 /nfs/dbraw/zinc/38/26/25/396382625.db2.gz VOQYSRXTDOBODD-IHRRRGAJSA-N 0 0 319.405 0.747 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1c(C)cccc1C ZINC000188638188 396384521 /nfs/dbraw/zinc/38/45/21/396384521.db2.gz FKNRFOWCJKYTPN-HUUCEWRRSA-N 0 0 320.389 0.780 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCc1ccc(F)cc1 ZINC000188736215 396384987 /nfs/dbraw/zinc/38/49/87/396384987.db2.gz MAGUHCMELQGYLB-HUUCEWRRSA-N 0 0 308.353 0.808 10 0 DCAERN O=C(NCCn1cc(Br)cn1)[C@@H]1CSC(=O)N1 ZINC000286290766 396385918 /nfs/dbraw/zinc/38/59/18/396385918.db2.gz DDCOIYARMJHMTB-ZETCQYMHSA-N 0 0 319.184 0.587 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000188787791 396386202 /nfs/dbraw/zinc/38/62/02/396386202.db2.gz BQLPOVRHABJIBK-TZMCWYRMSA-N 0 0 310.781 0.980 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188888266 396387837 /nfs/dbraw/zinc/38/78/37/396387837.db2.gz ZBPBFRNZGVKWCR-LLVKDONJSA-N 0 0 304.412 0.184 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000188891356 396388528 /nfs/dbraw/zinc/38/85/28/396388528.db2.gz RVFDQOJROWORCM-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000189262745 396392508 /nfs/dbraw/zinc/39/25/08/396392508.db2.gz PGKZWPSQBNGGNM-LLVKDONJSA-N 0 0 300.362 0.676 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000189289584 396392977 /nfs/dbraw/zinc/39/29/77/396392977.db2.gz CTWVZJKMDQNQCQ-GFCCVEGCSA-N 0 0 301.350 0.532 10 0 DCAERN CN1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1=O ZINC000189767712 396399050 /nfs/dbraw/zinc/39/90/50/396399050.db2.gz XUJBNEZCWCHVQO-UHFFFAOYSA-N 0 0 316.423 0.425 10 0 DCAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCC[C@H]2CO)cn1 ZINC000189925099 396400826 /nfs/dbraw/zinc/40/08/26/396400826.db2.gz DPQPOWKMGCJSEH-GWCFXTLKSA-N 0 0 306.366 0.776 10 0 DCAERN COCCNC(=O)CNC(=O)c1sc(CC2CC2)nc1C ZINC000189909965 396401079 /nfs/dbraw/zinc/40/10/79/396401079.db2.gz YWGMIJJLNMIVMG-UHFFFAOYSA-N 0 0 311.407 0.896 10 0 DCAERN CC1(C)[C@H](NC(=O)NC2CCN(c3ncccn3)CC2)C[C@@H]1O ZINC000190145321 396402910 /nfs/dbraw/zinc/40/29/10/396402910.db2.gz MBOBJGQDIFOCSU-OLZOCXBDSA-N 0 0 319.409 0.904 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)NCc1cccnc1-n1cncn1 ZINC000190188425 396402998 /nfs/dbraw/zinc/40/29/98/396402998.db2.gz LWTJHLQTVAHTOT-VXGBXAGGSA-N 0 0 316.365 0.621 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1c[nH]c(=S)[nH]1 ZINC000193110889 396444303 /nfs/dbraw/zinc/44/43/03/396444303.db2.gz NBLQRZUEBAROCN-ZETCQYMHSA-N 0 0 308.367 0.701 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N(C)CC2CC(O)C2)c1 ZINC000190613230 396409043 /nfs/dbraw/zinc/40/90/43/396409043.db2.gz DBHGZIMOFHUQCP-UHFFFAOYSA-N 0 0 301.412 0.931 10 0 DCAERN CO[C@H](C)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000190829336 396411677 /nfs/dbraw/zinc/41/16/77/396411677.db2.gz WXBMFADXTJXGCE-YPMHNXCESA-N 0 0 306.366 0.911 10 0 DCAERN COCCN1CCCN(Cc2nccn2C(F)F)CC1=O ZINC000190804561 396411727 /nfs/dbraw/zinc/41/17/27/396411727.db2.gz CWQYKXRWUAMCQH-UHFFFAOYSA-N 0 0 302.325 0.959 10 0 DCAERN CCCCCCNC(=O)CN1CCCN(CCOC)C(=O)C1 ZINC000190808696 396411805 /nfs/dbraw/zinc/41/18/05/396411805.db2.gz JATNNXJYSQYVIZ-UHFFFAOYSA-N 0 0 313.442 0.864 10 0 DCAERN COCCCN(C)C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000190794937 396411940 /nfs/dbraw/zinc/41/19/40/396411940.db2.gz XASNOJBYXCQEAE-UHFFFAOYSA-N 0 0 312.414 0.954 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)N1CCN(C(=O)CO)CC1 ZINC000190900079 396412506 /nfs/dbraw/zinc/41/25/06/396412506.db2.gz INPIGOZIJNFXMW-UHFFFAOYSA-N 0 0 309.366 0.458 10 0 DCAERN O=C1OCc2ccc(S(=O)(=O)N3CCN4CCC3CC4)cc21 ZINC000191091823 396415429 /nfs/dbraw/zinc/41/54/29/396415429.db2.gz UPRFLSCUAVVGHS-UHFFFAOYSA-N 0 0 322.386 0.826 10 0 DCAERN CC(C)c1nnc(NC(=O)CN2CCCN(C)C(=O)C2)s1 ZINC000191146528 396415911 /nfs/dbraw/zinc/41/59/11/396415911.db2.gz ULCWSGKKFIBIGD-UHFFFAOYSA-N 0 0 311.411 0.764 10 0 DCAERN COc1ccccc1CNC(=O)[C@H](C)N1CCCN(C)C(=O)C1 ZINC000191135041 396416094 /nfs/dbraw/zinc/41/60/94/396416094.db2.gz NHVBBXACFVXLAN-ZDUSSCGKSA-N 0 0 319.405 0.864 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)NCCS(N)(=O)=O ZINC000191295562 396418213 /nfs/dbraw/zinc/41/82/13/396418213.db2.gz NTCRQCSWDZXUHY-UHFFFAOYSA-N 0 0 323.378 0.591 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1=O ZINC000191540843 396421339 /nfs/dbraw/zinc/42/13/39/396421339.db2.gz ZHKIEQRYVHBCBN-LBPRGKRZSA-N 0 0 305.378 0.822 10 0 DCAERN CCN1CN(CC(=O)NCc2ccccc2COC)CC1=O ZINC000191544297 396421536 /nfs/dbraw/zinc/42/15/36/396421536.db2.gz IDGUXXACXFKEEK-UHFFFAOYSA-N 0 0 305.378 0.571 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000191761628 396424601 /nfs/dbraw/zinc/42/46/01/396424601.db2.gz HMNHCUPZNHSVRY-LLVKDONJSA-N 0 0 324.402 0.831 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000192474132 396431494 /nfs/dbraw/zinc/43/14/94/396431494.db2.gz KEKYQWXOYUYALM-CHWSQXEVSA-N 0 0 324.450 0.949 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@@H](C)O)ncn1 ZINC000192512015 396432595 /nfs/dbraw/zinc/43/25/95/396432595.db2.gz USHNJNBAGUVTMO-GHMZBOCLSA-N 0 0 308.386 0.167 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCc2ccccc21 ZINC000193223700 396446430 /nfs/dbraw/zinc/44/64/30/396446430.db2.gz DNNWATCIHDBOLJ-IIAWOOMASA-N 0 0 302.374 0.814 10 0 DCAERN CO[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC[C@H]1C ZINC000187892166 396375957 /nfs/dbraw/zinc/37/59/57/396375957.db2.gz BBEPBCHYNUUODR-MNOVXSKESA-N 0 0 318.381 0.673 10 0 DCAERN CCN(C)S(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000187991007 396377133 /nfs/dbraw/zinc/37/71/33/396377133.db2.gz GSYWOSYYLSQQHH-UHFFFAOYSA-N 0 0 313.427 0.606 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188023306 396377625 /nfs/dbraw/zinc/37/76/25/396377625.db2.gz MFRIWEQCMRBAIW-UTUOFQBUSA-N 0 0 304.412 0.630 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000188014206 396377740 /nfs/dbraw/zinc/37/77/40/396377740.db2.gz YFSLKHILNCBWRX-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1=O ZINC000188165896 396379883 /nfs/dbraw/zinc/37/98/83/396379883.db2.gz ZCAJJWJMQLHVOF-NSHDSACASA-N 0 0 308.407 0.803 10 0 DCAERN COCc1cccc(S(=O)(=O)N2CCCN(C)C(=O)C2)c1 ZINC000188226131 396380229 /nfs/dbraw/zinc/38/02/29/396380229.db2.gz IAFWZVYEICHBRQ-UHFFFAOYSA-N 0 0 312.391 0.686 10 0 DCAERN COC(=O)[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000507277051 396497095 /nfs/dbraw/zinc/49/70/95/396497095.db2.gz HEDAODNFNRFTGJ-WDEREUQCSA-N 0 0 310.316 0.791 10 0 DCAERN O=C([C@H]1CCCS1(=O)=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000515179366 396500531 /nfs/dbraw/zinc/50/05/31/396500531.db2.gz JZHMZDZCPQOWLM-APPZFPTMSA-N 0 0 301.286 0.089 10 0 DCAERN O=C(CN(CCCO)CC(F)(F)F)N1CCOC[C@H]1C1CC1 ZINC000372318518 396506482 /nfs/dbraw/zinc/50/64/82/396506482.db2.gz LIJAKVXLPALBGW-LBPRGKRZSA-N 0 0 324.343 0.871 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000193306732 396448715 /nfs/dbraw/zinc/44/87/15/396448715.db2.gz APTGMGIGXILLKJ-UHFFFAOYSA-N 0 0 318.333 0.992 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)n1 ZINC000193405205 396450744 /nfs/dbraw/zinc/45/07/44/396450744.db2.gz YOYJZGHKQASYSC-SECBINFHSA-N 0 0 324.406 0.894 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)nc2C)C1 ZINC000193506854 396452498 /nfs/dbraw/zinc/45/24/98/396452498.db2.gz QTQRZOUQCJXIJQ-UHFFFAOYSA-N 0 0 310.741 0.329 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000193537856 396453168 /nfs/dbraw/zinc/45/31/68/396453168.db2.gz IFBHOJXFGWKOSY-UHFFFAOYSA-N 0 0 315.377 0.457 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCN3CCOC[C@@H]3C2)nn1 ZINC000371794734 396476821 /nfs/dbraw/zinc/47/68/21/396476821.db2.gz IKCPSVXOHUTKNX-ZDUSSCGKSA-N 0 0 307.398 0.481 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371797002 396476986 /nfs/dbraw/zinc/47/69/86/396476986.db2.gz SHGSBYAEHADMIY-MRXNPFEDSA-N 0 0 317.389 0.479 10 0 DCAERN c1c(CN2CCN3CCOC[C@H]3C2)nnn1Cc1cccnc1 ZINC000371888140 396479428 /nfs/dbraw/zinc/47/94/28/396479428.db2.gz MPLVSGJPDJOUEW-MRXNPFEDSA-N 0 0 314.393 0.238 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)Cc3cccc(O)c3)CCN2C1=O ZINC000371926639 396480214 /nfs/dbraw/zinc/48/02/14/396480214.db2.gz JYBVRCVWZNHHQT-ZDUSSCGKSA-N 0 0 317.345 0.430 10 0 DCAERN COCCOCCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372001784 396481854 /nfs/dbraw/zinc/48/18/54/396481854.db2.gz YVOUZYOHNHRKCV-UHFFFAOYSA-N 0 0 322.361 0.729 10 0 DCAERN CCOC(=O)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000527391540 396534284 /nfs/dbraw/zinc/53/42/84/396534284.db2.gz ARLPRWAAEWSOLD-MRVPVSSYSA-N 0 0 300.336 0.472 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000372719895 396540046 /nfs/dbraw/zinc/54/00/46/396540046.db2.gz TWIVFHBVKNPHIU-RTRPANQVSA-N 0 0 311.341 0.697 10 0 DCAERN Cc1nc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)CCO2)no1 ZINC000373075677 396564520 /nfs/dbraw/zinc/56/45/20/396564520.db2.gz XZOAYQUBARYAJK-JQWIXIFHSA-N 0 0 322.365 0.536 10 0 DCAERN Cc1ccc(CC(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000585734229 396651072 /nfs/dbraw/zinc/65/10/72/396651072.db2.gz VKYBSRKXAOUIML-UHFFFAOYSA-N 0 0 311.407 0.474 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1[nH]nc2ccccc21 ZINC000585737654 396652145 /nfs/dbraw/zinc/65/21/45/396652145.db2.gz DOGPXHHVMZABOR-UHFFFAOYSA-N 0 0 322.390 0.718 10 0 DCAERN CN(C(=O)NCc1nnc2ccccn21)[C@H]1CCN(C)C1=O ZINC000562201990 396652455 /nfs/dbraw/zinc/65/24/55/396652455.db2.gz XVMUYFFSXUHDOM-JTQLQIEISA-N 0 0 302.338 0.101 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NC[C@H](C)S(C)(=O)=O)[nH]n1 ZINC000533587673 396608087 /nfs/dbraw/zinc/60/80/87/396608087.db2.gz BCTVYKGSKYOXCN-SCZZXKLOSA-N 0 0 302.400 0.381 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373754638 396612133 /nfs/dbraw/zinc/61/21/33/396612133.db2.gz QQYNQLPRJJXCKN-MNOVXSKESA-N 0 0 309.366 0.535 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373809257 396615156 /nfs/dbraw/zinc/61/51/56/396615156.db2.gz IHWVRYRKMXHGJN-INWMFGNUSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560985693 396627727 /nfs/dbraw/zinc/62/77/27/396627727.db2.gz FVUGDXZUALAWOR-NSHDSACASA-N 0 0 312.333 0.674 10 0 DCAERN COCCn1ccc(C(=O)N2CCCNC(=O)[C@@H]2CC(C)C)n1 ZINC000293895782 396640385 /nfs/dbraw/zinc/64/03/85/396640385.db2.gz KYMDGMVXSYBUIH-AWEZNQCLSA-N 0 0 322.409 0.906 10 0 DCAERN COCC(=O)NC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000586751937 396662213 /nfs/dbraw/zinc/66/22/13/396662213.db2.gz CYRLZZKDHSAHOJ-UHFFFAOYSA-N 0 0 306.362 0.688 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCC[C@H]3COC[C@H]32)c1Cl ZINC000374552570 396672700 /nfs/dbraw/zinc/67/27/00/396672700.db2.gz ZAFHKXXWCOOSHV-DTWKUNHWSA-N 0 0 305.787 0.873 10 0 DCAERN O=S(=O)(CCCF)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374737894 396683172 /nfs/dbraw/zinc/68/31/72/396683172.db2.gz QCOJDMCUZPXTAS-NWDGAFQWSA-N 0 0 309.403 0.833 10 0 DCAERN COCCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374834990 396690900 /nfs/dbraw/zinc/69/09/00/396690900.db2.gz VALKLQZKFVRABB-CHWSQXEVSA-N 0 0 300.399 0.890 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@H](Oc3cccnc3)C1)nc2N ZINC000302890091 396722849 /nfs/dbraw/zinc/72/28/49/396722849.db2.gz PEXDAYHLZHIPKN-NSHDSACASA-N 0 0 311.349 0.998 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1)C(F)(F)F ZINC000375640944 396787944 /nfs/dbraw/zinc/78/79/44/396787944.db2.gz CPNCYXFSOOMWHA-GWCFXTLKSA-N 0 0 321.343 0.998 10 0 DCAERN CSCc1noc(CCC(=O)N2CCN(C3CC3)C(=O)C2)n1 ZINC000610960562 396793649 /nfs/dbraw/zinc/79/36/49/396793649.db2.gz VOMLZBWIAUUPFO-UHFFFAOYSA-N 0 0 324.406 0.698 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)O)C2)cc1 ZINC000563436542 396735065 /nfs/dbraw/zinc/73/50/65/396735065.db2.gz ZWWWCOLCHKZIGO-SMDDNHRTSA-N 0 0 313.375 0.660 10 0 DCAERN COCCCS(=O)(=O)N[C@@H](C(=O)OC)c1ccccc1F ZINC000610702101 396753087 /nfs/dbraw/zinc/75/30/87/396753087.db2.gz GYWCVQAAYBLWTQ-GFCCVEGCSA-N 0 0 319.354 0.996 10 0 DCAERN O=C1C[C@@H](NCc2ncc(I)s2)CN1 ZINC000306220881 396754424 /nfs/dbraw/zinc/75/44/24/396754424.db2.gz INCIIWBVTWHZPC-RXMQYKEDSA-N 0 0 323.159 0.726 10 0 DCAERN O=S(=O)(N1CC[C@@](O)(C(F)(F)F)C1)N1CCCCC1 ZINC000311865423 396762241 /nfs/dbraw/zinc/76/22/41/396762241.db2.gz RGKHTHIADNZZAV-VIFPVBQESA-N 0 0 302.318 0.716 10 0 DCAERN O=C(NCC[C@@H](O)C(F)F)c1cnc2sccn2c1=O ZINC000633992769 396766000 /nfs/dbraw/zinc/76/60/00/396766000.db2.gz DOMXNSXKWNKAOG-SSDOTTSWSA-N 0 0 303.290 0.502 10 0 DCAERN Cn1cc(Br)c(C(=O)NCC[C@H](O)C(F)F)n1 ZINC000634001755 396768418 /nfs/dbraw/zinc/76/84/18/396768418.db2.gz LWTHGIBXHINGLC-LURJTMIESA-N 0 0 312.114 0.929 10 0 DCAERN CCOC(=O)c1coc(N[C@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000596437931 396777329 /nfs/dbraw/zinc/77/73/29/396777329.db2.gz YHGRYLKORRTUJW-DTWKUNHWSA-N 0 0 304.324 0.075 10 0 DCAERN CN1CCN(C(=O)COCC(F)(F)F)C[C@H]1c1ncc[nH]1 ZINC000328625279 396825455 /nfs/dbraw/zinc/82/54/55/396825455.db2.gz KPDNVPCLDAVNEA-VIFPVBQESA-N 0 0 306.288 0.804 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cc(C)on1 ZINC000590700340 396826057 /nfs/dbraw/zinc/82/60/57/396826057.db2.gz ROPMLDNSDMDPOM-CYBMUJFWSA-N 0 0 322.365 0.069 10 0 DCAERN Cn1c(Cl)cnc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328640725 396829182 /nfs/dbraw/zinc/82/91/82/396829182.db2.gz QCKHCIKNDUIARJ-SSDOTTSWSA-N 0 0 310.745 0.893 10 0 DCAERN C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(n2ccnn2)C1 ZINC000376051453 396868719 /nfs/dbraw/zinc/86/87/19/396868719.db2.gz WWOUHVZSZPVWEY-SNVBAGLBSA-N 0 0 309.370 0.822 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)OC)C[C@@H]1N1CCOCC1 ZINC000375862568 396835378 /nfs/dbraw/zinc/83/53/78/396835378.db2.gz SKEVQPZBLSQQFD-KBXIAJHMSA-N 0 0 324.421 0.755 10 0 DCAERN Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000564771811 396866486 /nfs/dbraw/zinc/86/64/86/396866486.db2.gz HQLDEXYPCXAHPZ-LLVKDONJSA-N 0 0 314.349 0.459 10 0 DCAERN CS[C@H](C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000611040081 396809621 /nfs/dbraw/zinc/80/96/21/396809621.db2.gz CIXSYDNSSCMIJO-SNVBAGLBSA-N 0 0 309.457 0.463 10 0 DCAERN COc1cc[nH]c(=O)c1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000375758050 396813587 /nfs/dbraw/zinc/81/35/87/396813587.db2.gz NUENEUUSWKZWSW-LLVKDONJSA-N 0 0 307.350 0.389 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629927444 396887913 /nfs/dbraw/zinc/88/79/13/396887913.db2.gz CWXJNEIRPLEVML-UONOGXRCSA-N 0 0 307.394 0.657 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000332910846 396903237 /nfs/dbraw/zinc/90/32/37/396903237.db2.gz RELATQJCBJXBFF-SRVKXCTJSA-N 0 0 304.412 0.630 10 0 DCAERN CN1C(=O)CC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000333412626 396924093 /nfs/dbraw/zinc/92/40/93/396924093.db2.gz QADVYXGIMDNPGD-LLVKDONJSA-N 0 0 318.333 0.002 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@H]3CNC(=O)C3)cc21 ZINC000569902786 396921590 /nfs/dbraw/zinc/92/15/90/396921590.db2.gz SPNBXTRCKUWOLH-LLVKDONJSA-N 0 0 300.318 0.549 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)o1 ZINC000611934991 396951797 /nfs/dbraw/zinc/95/17/97/396951797.db2.gz KAPUYNRMLUMLPQ-UHFFFAOYSA-N 0 0 314.323 0.063 10 0 DCAERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cn(C)nn2)C1 ZINC000611941685 396952605 /nfs/dbraw/zinc/95/26/05/396952605.db2.gz ANMOOSIJSUYMNG-XYQMPLONSA-N 0 0 313.427 0.694 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000618312138 396956837 /nfs/dbraw/zinc/95/68/37/396956837.db2.gz HYXGZNGXWAWHNG-WCFLWFBJSA-N 0 0 316.423 0.327 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000376661218 396960628 /nfs/dbraw/zinc/96/06/28/396960628.db2.gz VWLWSZLBXRZCSE-JTQLQIEISA-N 0 0 306.288 0.930 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000376689733 396963680 /nfs/dbraw/zinc/96/36/80/396963680.db2.gz SUXQMUVHXSOVPG-IUODEOHRSA-N 0 0 320.393 0.892 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)[C@@H]1CCC(=O)NC1 ZINC000571972615 397005541 /nfs/dbraw/zinc/00/55/41/397005541.db2.gz MGWYVCSSEUANBF-NEPJUHHUSA-N 0 0 304.346 0.859 10 0 DCAERN Cc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C)o1 ZINC000618674343 397008331 /nfs/dbraw/zinc/00/83/31/397008331.db2.gz HWNGMPRXJZQRTR-MRVPVSSYSA-N 0 0 301.368 0.397 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)nnc1C ZINC000618754382 397022519 /nfs/dbraw/zinc/02/25/19/397022519.db2.gz ACKKNLIHTHJTLV-GHMZBOCLSA-N 0 0 322.365 0.280 10 0 DCAERN Cc1nc[nH]c1CC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000377066479 397026213 /nfs/dbraw/zinc/02/62/13/397026213.db2.gz IQGQXXOCDGCKPB-CYBMUJFWSA-N 0 0 313.361 0.967 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)C1CC1 ZINC000618809010 397026923 /nfs/dbraw/zinc/02/69/23/397026923.db2.gz PULOUGMIDKJLBZ-DCAQKATOSA-N 0 0 313.398 0.788 10 0 DCAERN CCOC(=O)c1csc(N2CCC(S(N)(=O)=O)CC2)n1 ZINC000591906204 397030080 /nfs/dbraw/zinc/03/00/80/397030080.db2.gz LOFHXVBLJZYGNE-UHFFFAOYSA-N 0 0 319.408 0.577 10 0 DCAERN Cn1nncc1CC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000612465841 397065015 /nfs/dbraw/zinc/06/50/15/397065015.db2.gz LMUJGBINLLIWEM-KBPBESRZSA-N 0 0 307.398 0.117 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC[C@H](C)O ZINC000625973776 397044198 /nfs/dbraw/zinc/04/41/98/397044198.db2.gz OQFBUQNZHYNIFP-JTQLQIEISA-N 0 0 315.414 0.025 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCNC1=O)CC2 ZINC000612999795 397176992 /nfs/dbraw/zinc/17/69/92/397176992.db2.gz SDMKNGXSFFFSMW-OAHLLOKOSA-N 0 0 300.358 0.953 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@H]1CN1CCOCC1)S(C)(=O)=O ZINC000377687467 397124973 /nfs/dbraw/zinc/12/49/73/397124973.db2.gz TXBUADDEXKVNID-OLZOCXBDSA-N 0 0 318.439 0.133 10 0 DCAERN c1nc2n(n1)[C@@H](CSc1nnnn1C[C@H]1CCCO1)CC2 ZINC000631006396 397156353 /nfs/dbraw/zinc/15/63/53/397156353.db2.gz ASUXFZRTISUTKB-NXEZZACHSA-N 0 0 307.383 0.723 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC000626420518 397158240 /nfs/dbraw/zinc/15/82/40/397158240.db2.gz HYJBDLNHZXLKNB-DOMZBBRYSA-N 0 0 316.357 0.720 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000626420732 397159694 /nfs/dbraw/zinc/15/96/94/397159694.db2.gz RFFCPIXPEZGBMM-UONOGXRCSA-N 0 0 305.378 0.960 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000377965782 397171837 /nfs/dbraw/zinc/17/18/37/397171837.db2.gz FLXLPIORVMJSHT-LLVKDONJSA-N 0 0 321.358 0.877 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2onc(C)c21 ZINC000619697909 397175529 /nfs/dbraw/zinc/17/55/29/397175529.db2.gz WYOLCXIADLLUMH-IUCAKERBSA-N 0 0 321.337 0.794 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000619744986 397188603 /nfs/dbraw/zinc/18/86/03/397188603.db2.gz MWRYIJFCHOQMSY-SCZZXKLOSA-N 0 0 315.395 0.996 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000364400182 397196163 /nfs/dbraw/zinc/19/61/63/397196163.db2.gz NRPDVKCWYNCOJU-ZETOZRRWSA-N 0 0 309.366 0.248 10 0 DCAERN CCN1CC[C@H](NC(=O)NCc2cccc(C(=O)OC)c2)C1=O ZINC000619803705 397196582 /nfs/dbraw/zinc/19/65/82/397196582.db2.gz XHVLEYQPMREVOA-ZDUSSCGKSA-N 0 0 319.361 0.893 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000619824880 397197801 /nfs/dbraw/zinc/19/78/01/397197801.db2.gz APBHCWRZIBMOMG-GHMZBOCLSA-N 0 0 315.439 0.371 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCCC(=O)NC(N)=O)CC2 ZINC000364540224 397216222 /nfs/dbraw/zinc/21/62/22/397216222.db2.gz IWVHPOXISSSJEL-SECBINFHSA-N 0 0 321.381 0.339 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@]1(CO)CCOC1)CC2 ZINC000364551793 397219254 /nfs/dbraw/zinc/21/92/54/397219254.db2.gz OXWKNLJAPMTCKM-BDJLRTHQSA-N 0 0 307.394 0.906 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1C[C@H](F)C[C@H]1CO ZINC000364581546 397223745 /nfs/dbraw/zinc/22/37/45/397223745.db2.gz GMNMIJDGTXXOJT-ZJUUUORDSA-N 0 0 317.338 0.551 10 0 DCAERN Cc1nc(CN(C)C(=O)Cn2nc3n(c2=O)CCCCC3)no1 ZINC000364671710 397232235 /nfs/dbraw/zinc/23/22/35/397232235.db2.gz AHFIDTFXILSKNC-UHFFFAOYSA-N 0 0 320.353 0.121 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000574102250 397236216 /nfs/dbraw/zinc/23/62/16/397236216.db2.gz HHJDNSOLLTVLGI-SWLSCSKDSA-N 0 0 307.398 0.163 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592724933 397240518 /nfs/dbraw/zinc/24/05/18/397240518.db2.gz XEWKSARNBAOSCJ-CYBMUJFWSA-N 0 0 324.381 0.397 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)nn1 ZINC000620407919 397267281 /nfs/dbraw/zinc/26/72/81/397267281.db2.gz JHCTYMVAFYBTNU-LBPRGKRZSA-N 0 0 321.381 0.244 10 0 DCAERN C[C@@H](CNCc1c(Br)cnn1C)S(C)(=O)=O ZINC000381138833 397270425 /nfs/dbraw/zinc/27/04/25/397270425.db2.gz MEENLJUWFNOMLT-ZETCQYMHSA-N 0 0 310.217 0.705 10 0 DCAERN COC[C@](C)(CO)NC(=O)CCc1ccccc1C(=O)OC ZINC000613533305 397275192 /nfs/dbraw/zinc/27/51/92/397275192.db2.gz BKCPZLJMDAIVJF-INIZCTEOSA-N 0 0 309.362 0.919 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000365451659 397283002 /nfs/dbraw/zinc/28/30/02/397283002.db2.gz BURAQPBXJJPEIR-NWANDNLSSA-N 0 0 306.337 0.911 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000365530608 397291573 /nfs/dbraw/zinc/29/15/73/397291573.db2.gz AGHOAGBIFWBMET-RYUDHWBXSA-N 0 0 305.382 0.769 10 0 DCAERN CC[C@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)[C@@H](C)O ZINC000386957793 397292035 /nfs/dbraw/zinc/29/20/35/397292035.db2.gz YOMBNZPVOTZVSK-SKDRFNHKSA-N 0 0 300.380 0.484 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cccc([S@@](C)=O)c2)C1 ZINC000613713661 397306581 /nfs/dbraw/zinc/30/65/81/397306581.db2.gz SMDHMOWDVIXQHQ-VERVWZFWSA-N 0 0 323.418 0.958 10 0 DCAERN CC(CO)(CO)CNc1ncc(I)cn1 ZINC000393870863 397307652 /nfs/dbraw/zinc/30/76/52/397307652.db2.gz ZMWDVUWSLCHCFW-UHFFFAOYSA-N 0 0 323.134 0.484 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366590577 397383940 /nfs/dbraw/zinc/38/39/40/397383940.db2.gz LQMAFBNIDMMFQE-NHYWBVRUSA-N 0 0 313.398 0.491 10 0 DCAERN NS(=O)(=O)C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000407950436 397333672 /nfs/dbraw/zinc/33/36/72/397333672.db2.gz GZXICZFDKJIOJE-UHFFFAOYSA-N 0 0 314.411 0.980 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000407951590 397333834 /nfs/dbraw/zinc/33/38/34/397333834.db2.gz CGLZWTRRFCZRHX-TUAOUCFPSA-N 0 0 319.427 0.120 10 0 DCAERN O=S(=O)(c1cccnc1)N1CCN(CC2(O)CCC2)CC1 ZINC000407950486 397333907 /nfs/dbraw/zinc/33/39/07/397333907.db2.gz IMVSULZESQYATG-UHFFFAOYSA-N 0 0 311.407 0.303 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCCC[C@@H]1CC(N)=O)CC2 ZINC000407953526 397334595 /nfs/dbraw/zinc/33/45/95/397334595.db2.gz BHVJLOLVBYOXCC-DGCLKSJQSA-N 0 0 304.394 0.782 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407956289 397336330 /nfs/dbraw/zinc/33/63/30/397336330.db2.gz JYGBZHQFPNKMFG-GFCCVEGCSA-N 0 0 307.394 0.468 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@H](C)C1)c1nnc2ccccn21 ZINC000407967323 397340578 /nfs/dbraw/zinc/34/05/78/397340578.db2.gz CQLPJMXAMHECFS-MNOVXSKESA-N 0 0 316.365 0.662 10 0 DCAERN C[C@H](C(=O)N1CCN[C@H](c2ccncc2)C1)N1CCOCC1 ZINC000407969478 397341694 /nfs/dbraw/zinc/34/16/94/397341694.db2.gz XEDOKIKVQNOAPZ-HIFRSBDPSA-N 0 0 304.394 0.275 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408066425 397346199 /nfs/dbraw/zinc/34/61/99/397346199.db2.gz YCZZIWKDBLTBOA-DGAVXFQQSA-N 0 0 310.394 0.386 10 0 DCAERN COC(=O)c1ccc(N2CCC[C@H](NC(C)=O)C2)nc1OC ZINC000613920119 397347563 /nfs/dbraw/zinc/34/75/63/397347563.db2.gz FIFWNYCRQWUPQG-NSHDSACASA-N 0 0 307.350 0.982 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC000408274049 397351647 /nfs/dbraw/zinc/35/16/47/397351647.db2.gz IPHRYOWONWOAOD-YNEHKIRRSA-N 0 0 318.439 0.588 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)[C@@H](CO)C2)C[C@H](C)O1 ZINC000621310597 397371365 /nfs/dbraw/zinc/37/13/65/397371365.db2.gz WNLBJGUCXDBHSO-WUHRBBMRSA-N 0 0 306.428 0.291 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366527290 397371828 /nfs/dbraw/zinc/37/18/28/397371828.db2.gz WSGDEGRNJJYEGH-UMSGYPCISA-N 0 0 318.439 0.755 10 0 DCAERN CCOC(=O)c1noc(CSC[C@H]2CN(C)CCO2)n1 ZINC000400968857 397319579 /nfs/dbraw/zinc/31/95/79/397319579.db2.gz UIWPRRPZWACZFE-SECBINFHSA-N 0 0 301.368 0.810 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCCc2n[nH]cc2C1 ZINC000404642093 397329527 /nfs/dbraw/zinc/32/95/27/397329527.db2.gz DIRPZZKJRYZNEC-UHFFFAOYSA-N 0 0 301.368 0.441 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593657520 397420716 /nfs/dbraw/zinc/42/07/16/397420716.db2.gz NJTGFMIDICYHIB-SYTFOFBDSA-N 0 0 313.400 0.783 10 0 DCAERN C[C@H](N1CCN(C(=O)C(=O)N(C)CC2CC2)CC1)C(F)(F)F ZINC000460012725 397439378 /nfs/dbraw/zinc/43/93/78/397439378.db2.gz SFWFBJGJBZMOAZ-JTQLQIEISA-N 0 0 321.343 0.950 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000369813205 397445472 /nfs/dbraw/zinc/44/54/72/397445472.db2.gz FQKBQZWWJKUBMV-SDDRHHMPSA-N 0 0 312.435 0.964 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)CSCC(=O)N[C@@H](C)[C@H](C)OC ZINC000468268799 397447409 /nfs/dbraw/zinc/44/74/09/397447409.db2.gz AQFUQHNFVBZMDD-BJDJZHNGSA-N 0 0 320.455 0.799 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(C)nnc2N(C)C)C1 ZINC000621479306 397388952 /nfs/dbraw/zinc/38/89/52/397388952.db2.gz YVSGDCFUDVGBPS-LLVKDONJSA-N 0 0 306.370 0.593 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000621527234 397393434 /nfs/dbraw/zinc/39/34/34/397393434.db2.gz VMBLFMJKDMMUOX-AGIUHOORSA-N 0 0 315.414 0.064 10 0 DCAERN COc1ccsc1S(=O)(=O)N(C)Cc1nnnn1C ZINC000472350508 397453134 /nfs/dbraw/zinc/45/31/34/397453134.db2.gz UIQRNEUOXIHKQT-UHFFFAOYSA-N 0 0 303.369 0.101 10 0 DCAERN CCCSCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000487124474 397466879 /nfs/dbraw/zinc/46/68/79/397466879.db2.gz ZWCLUKMBXWOEKP-VHSXEESVSA-N 0 0 304.412 0.702 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC000487129192 397467596 /nfs/dbraw/zinc/46/75/96/397467596.db2.gz NUYBFHUBKQKSCI-IUCAKERBSA-N 0 0 322.365 0.085 10 0 DCAERN CN(CCCO)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000370244469 397461388 /nfs/dbraw/zinc/46/13/88/397461388.db2.gz ZHHYWEUPRAMEJQ-CQSZACIVSA-N 0 0 305.378 0.811 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)NCCCc2nnc3ccccn32)c1 ZINC000487742986 397477312 /nfs/dbraw/zinc/47/73/12/397477312.db2.gz VLFRHYRBPIPENO-UHFFFAOYSA-N 0 0 312.333 0.519 10 0 DCAERN Cn1cc([C@@H](NC(=O)[C@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000487746637 397477325 /nfs/dbraw/zinc/47/73/25/397477325.db2.gz DYXYPEDNGKPLFF-OIBJUYFYSA-N 0 0 304.272 0.666 10 0 DCAERN Cn1c(=O)ccc2ccc(NCC(=O)N3CCOCC3)cc21 ZINC000578755254 397478973 /nfs/dbraw/zinc/47/89/73/397478973.db2.gz WLFXNXXFSHPDFW-UHFFFAOYSA-N 0 0 301.346 0.809 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC000614647560 397490031 /nfs/dbraw/zinc/49/00/31/397490031.db2.gz YUHQFSNJKNSHKL-UHFFFAOYSA-N 0 0 312.410 0.899 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCc2ccccc2[C@H]1C(N)=O ZINC000594020748 397492960 /nfs/dbraw/zinc/49/29/60/397492960.db2.gz ARVLFPHMLCCKDE-INIZCTEOSA-N 0 0 301.390 0.940 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCOC1 ZINC000488169118 397486903 /nfs/dbraw/zinc/48/69/03/397486903.db2.gz YSZGUPYJGQWIST-PGUXBMHVSA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)C(F)(F)F ZINC000488269776 397488207 /nfs/dbraw/zinc/48/82/07/397488207.db2.gz ZYJZIYRMXCWIAJ-FXQIFTODSA-N 0 0 312.288 0.757 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000370699829 397516631 /nfs/dbraw/zinc/51/66/31/397516631.db2.gz MJSBFJYIWBYBCE-ZDUSSCGKSA-N 0 0 307.412 0.623 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000578976742 397507605 /nfs/dbraw/zinc/50/76/05/397507605.db2.gz ACRKFVSXHRCMRF-ZJUUUORDSA-N 0 0 317.345 0.753 10 0 DCAERN CCN(C)C(=O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000371284489 397568449 /nfs/dbraw/zinc/56/84/49/397568449.db2.gz OPUBTFIAPWAVRI-UHFFFAOYSA-N 0 0 300.366 0.634 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000579457897 397569189 /nfs/dbraw/zinc/56/91/89/397569189.db2.gz JYRSQPCYWROUAG-KFWWJZLASA-N 0 0 323.437 0.614 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000603891967 397626275 /nfs/dbraw/zinc/62/62/75/397626275.db2.gz GDNFCXYJUKCHCO-JTQLQIEISA-N 0 0 310.379 0.247 10 0 DCAERN O=C(NCCn1cccn1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000604202980 397633689 /nfs/dbraw/zinc/63/36/89/397633689.db2.gz AGEJPAZELNXFES-AWEZNQCLSA-N 0 0 319.409 0.927 10 0 DCAERN CC1(C)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605064481 397659994 /nfs/dbraw/zinc/65/99/94/397659994.db2.gz CXZGCLVSQOLJHW-GFCCVEGCSA-N 0 0 301.346 0.826 10 0 DCAERN Cc1nnc2ccc(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)cn12 ZINC000608219253 397721360 /nfs/dbraw/zinc/72/13/60/397721360.db2.gz KHHXQSZMRKIMNR-ZWKOPEQDSA-N 0 0 313.361 0.777 10 0 DCAERN Cc1nnc(CN2CCN(Cc3nc(C4CC4)no3)CC2)[nH]1 ZINC000605422708 397664523 /nfs/dbraw/zinc/66/45/23/397664523.db2.gz QGIGRDUASZKHHC-UHFFFAOYSA-N 0 0 303.370 0.691 10 0 DCAERN Cc1cc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)[nH]n1 ZINC000606138717 397678439 /nfs/dbraw/zinc/67/84/39/397678439.db2.gz XTBHVNVJMBKPHF-UHFFFAOYSA-N 0 0 302.338 0.434 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000606417083 397680501 /nfs/dbraw/zinc/68/05/01/397680501.db2.gz KSZJOMXHTBYODX-IUCAKERBSA-N 0 0 324.410 0.260 10 0 DCAERN C[C@H]1CC(=O)NCCN1C(=O)CN(C)c1ccc(Cl)cn1 ZINC000607926072 397706937 /nfs/dbraw/zinc/70/69/37/397706937.db2.gz RRZLYJOPAIBHEV-JTQLQIEISA-N 0 0 310.785 0.908 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C[C@H]1C ZINC000607925426 397707085 /nfs/dbraw/zinc/70/70/85/397707085.db2.gz SKGRKVXKCLLUFY-NEPJUHHUSA-N 0 0 303.362 0.542 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC2)C(=O)N1c1cnn(C)c1 ZINC000608731805 397750821 /nfs/dbraw/zinc/75/08/21/397750821.db2.gz IAZMXZOKYFDIDX-ZWNOBZJWSA-N 0 0 305.382 0.965 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ccc(C(=O)N(C)C)cn2)CC1 ZINC000610410984 397819337 /nfs/dbraw/zinc/81/93/37/397819337.db2.gz VMHCRIXXFXKNFG-UHFFFAOYSA-N 0 0 321.377 0.678 10 0 DCAERN COCC1(C)CCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408054712 292225989 /nfs/dbraw/zinc/22/59/89/292225989.db2.gz OMKKKJCDLKLWJZ-INIZCTEOSA-N 0 0 312.410 0.635 10 0 DCAERN C[C@H]1CCCCCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000408170499 299743656 /nfs/dbraw/zinc/74/36/56/299743656.db2.gz WVEFLJWELOIHHB-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN COC(=O)CCCCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000035177087 157986926 /nfs/dbraw/zinc/98/69/26/157986926.db2.gz MWMYVUHZMLFDGM-VXGBXAGGSA-N 0 0 322.427 0.663 10 0 DCAERN C[C@H](NC(=O)c1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000037009190 157988085 /nfs/dbraw/zinc/98/80/85/157988085.db2.gz HSJACXMQIBUIGH-VIFPVBQESA-N 0 0 308.363 0.559 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCc1cnn(C)c1 ZINC000042758460 157995366 /nfs/dbraw/zinc/99/53/66/157995366.db2.gz CTAZBIKEKUXXBT-UHFFFAOYSA-N 0 0 300.362 0.817 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCCc2ccccc2F)C1=O ZINC000045293438 157998524 /nfs/dbraw/zinc/99/85/24/157998524.db2.gz LQASWDRFNLQVJP-UHFFFAOYSA-N 0 0 307.325 0.815 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000050731276 158011704 /nfs/dbraw/zinc/01/17/04/158011704.db2.gz HGPMKWPLSKSAPR-RWMBFGLXSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2nccs2)C[C@@H](C)O1 ZINC000051163039 158012931 /nfs/dbraw/zinc/01/29/31/158012931.db2.gz JVLZDTYXQGRXGF-NXEZZACHSA-N 0 0 305.425 0.629 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCc2cscn2)cs1 ZINC000051483774 158014496 /nfs/dbraw/zinc/01/44/96/158014496.db2.gz GBPCUWNCDIIROC-UHFFFAOYSA-N 0 0 303.390 0.782 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN(C)C[C@@H]1CCCO1)C(=O)OC ZINC000052101910 158016602 /nfs/dbraw/zinc/01/66/02/158016602.db2.gz BTYZTTMQYPFNJH-OBJOEFQTSA-N 0 0 300.399 0.801 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000054150864 158020119 /nfs/dbraw/zinc/02/01/19/158020119.db2.gz PAMLPFHYOLAGKQ-LBPRGKRZSA-N 0 0 324.402 0.938 10 0 DCAERN CC(=O)Nc1ccc(NC(=O)CN2CCNC(=O)CC2)cc1 ZINC000054257263 158020137 /nfs/dbraw/zinc/02/01/37/158020137.db2.gz CVSVBSFNMRGWGJ-UHFFFAOYSA-N 0 0 304.350 0.405 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)nc2n1 ZINC000054452046 158021213 /nfs/dbraw/zinc/02/12/13/158021213.db2.gz LYVMRMGYSIGEHB-LLVKDONJSA-N 0 0 316.365 0.434 10 0 DCAERN Cn1nc(C(=O)N2CCCN(c3nccs3)CC2)ccc1=O ZINC000064473663 158033225 /nfs/dbraw/zinc/03/32/25/158033225.db2.gz PMMDETCUBGNIGO-UHFFFAOYSA-N 0 0 319.390 0.589 10 0 DCAERN CC1(C)COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000064812356 158033452 /nfs/dbraw/zinc/03/34/52/158033452.db2.gz LVAOACBQXIXQOD-UHFFFAOYSA-N 0 0 317.345 0.327 10 0 DCAERN COCc1ccccc1CNC(=O)CN1CCNC(=O)CC1 ZINC000065954652 158035209 /nfs/dbraw/zinc/03/52/09/158035209.db2.gz NYYQVEKLBHGXJU-UHFFFAOYSA-N 0 0 305.378 0.271 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)[C@H]1CCC(=O)N1)Cc1ccccc1 ZINC000067266667 158039141 /nfs/dbraw/zinc/03/91/41/158039141.db2.gz CDLOUHRJODHHDM-UONOGXRCSA-N 0 0 318.373 0.803 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCC(C(=O)N(C)C)CC1 ZINC000067127426 158039461 /nfs/dbraw/zinc/03/94/61/158039461.db2.gz XNQFALCPTTYWIQ-UHFFFAOYSA-N 0 0 312.414 0.413 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NCCCc1cccc(F)c1 ZINC000068498645 158043413 /nfs/dbraw/zinc/04/34/13/158043413.db2.gz WOWCTFRJLPWUCK-UHFFFAOYSA-N 0 0 309.341 0.127 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCCNC(=O)C1CC1)c1ccccc1 ZINC000070752065 158049664 /nfs/dbraw/zinc/04/96/64/158049664.db2.gz GYDWZQKZXDNECI-HNNXBMFYSA-N 0 0 317.389 0.896 10 0 DCAERN CC(C)OCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000073520382 158056128 /nfs/dbraw/zinc/05/61/28/158056128.db2.gz XYZMBVRVBMVAOK-UHFFFAOYSA-N 0 0 300.380 0.765 10 0 DCAERN O=C(NCc1cccc(-n2cncn2)c1)[C@@H]1CSC(=O)N1 ZINC000073797959 158056695 /nfs/dbraw/zinc/05/66/95/158056695.db2.gz RPNYUKMJMQLYQK-NSHDSACASA-N 0 0 303.347 0.709 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000073988995 158056805 /nfs/dbraw/zinc/05/68/05/158056805.db2.gz AORGKFIHVKBVCA-GFCCVEGCSA-N 0 0 320.393 0.848 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)C2=NNC(=O)CC2)c2ccccc21 ZINC000074600931 158059782 /nfs/dbraw/zinc/05/97/82/158059782.db2.gz ZATQPDHLXHWYRV-SNVBAGLBSA-N 0 0 315.329 0.946 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)N3CCNC(=O)C3)CC2)nc1 ZINC000074435565 158059979 /nfs/dbraw/zinc/05/99/79/158059979.db2.gz AVTDDQFXVMVCIJ-UHFFFAOYSA-N 0 0 317.393 0.500 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000077046188 158066847 /nfs/dbraw/zinc/06/68/47/158066847.db2.gz BCOWLYKTAVBUIX-YNEHKIRRSA-N 0 0 320.455 0.714 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000077619955 158069277 /nfs/dbraw/zinc/06/92/77/158069277.db2.gz DCQRRZOHYOKPDV-STQMWFEESA-N 0 0 324.425 0.555 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000077750285 158070319 /nfs/dbraw/zinc/07/03/19/158070319.db2.gz NXYICLAVNBMVAM-DGCLKSJQSA-N 0 0 306.428 0.660 10 0 DCAERN CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077832687 158070432 /nfs/dbraw/zinc/07/04/32/158070432.db2.gz WRTWIWAHPDJXAP-HNNXBMFYSA-N 0 0 318.333 0.952 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000077847015 158071480 /nfs/dbraw/zinc/07/14/80/158071480.db2.gz UUVXICITLUIQJK-NWDGAFQWSA-N 0 0 307.394 0.905 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)NCCOCCC(C)C)C1 ZINC000079198964 158077187 /nfs/dbraw/zinc/07/71/87/158077187.db2.gz JHQAWXHQQBCXHO-OAHLLOKOSA-N 0 0 313.442 0.766 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2nccs2)C[C@H](C)O1 ZINC000081187737 158082154 /nfs/dbraw/zinc/08/21/54/158082154.db2.gz VJHGULYTNSTUJV-UWVGGRQHSA-N 0 0 305.425 0.929 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000080795451 158082883 /nfs/dbraw/zinc/08/28/83/158082883.db2.gz ZVIWECISXBUMDU-VXGBXAGGSA-N 0 0 303.428 0.551 10 0 DCAERN CCC[C@@](C)(NS(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000081685247 158086105 /nfs/dbraw/zinc/08/61/05/158086105.db2.gz QSJHRPPYSHAHHI-GFCCVEGCSA-N 0 0 303.384 0.913 10 0 DCAERN O=C(c1ccc(Cl)cc1O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796738 158089125 /nfs/dbraw/zinc/08/91/25/158089125.db2.gz CKGUOCNSHRSBMY-ZDUSSCGKSA-N 0 0 309.709 0.470 10 0 DCAERN O=C(c1cc(Cl)ccc1O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796719 158089227 /nfs/dbraw/zinc/08/92/27/158089227.db2.gz OJRXNBWJUNFGBD-CYBMUJFWSA-N 0 0 309.709 0.470 10 0 DCAERN CC(C)C[C@@H](C(=O)N1CCNC(=O)CC1)N1CCCCC1=O ZINC000087294245 158091839 /nfs/dbraw/zinc/09/18/39/158091839.db2.gz CNTCWQZREAXUFH-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN COC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1C)NC(C)=O ZINC000088117918 158093176 /nfs/dbraw/zinc/09/31/76/158093176.db2.gz VUAAFRQMHQNSRM-CYBMUJFWSA-N 0 0 313.375 0.588 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088232370 158093471 /nfs/dbraw/zinc/09/34/71/158093471.db2.gz BMEZEJKJJNXWJK-UHFFFAOYSA-N 0 0 317.280 0.502 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCc3csc(=O)[nH]3)no2)c1 ZINC000089507406 158096776 /nfs/dbraw/zinc/09/67/76/158096776.db2.gz XZPOTYDKJHVFIH-UHFFFAOYSA-N 0 0 319.346 0.908 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@](C)(O)CO)c1cccs1 ZINC000090287196 158103647 /nfs/dbraw/zinc/10/36/47/158103647.db2.gz OHVPRESXNNYDET-MFKMUULPSA-N 0 0 300.380 0.175 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)NCc3ncn(C)n3)CCO2)o1 ZINC000091774302 158109134 /nfs/dbraw/zinc/10/91/34/158109134.db2.gz GYEDXMVCLSIQRJ-GFCCVEGCSA-N 0 0 305.338 1.000 10 0 DCAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780861 158109466 /nfs/dbraw/zinc/10/94/66/158109466.db2.gz FENXXSZRVJZJFC-LLVKDONJSA-N 0 0 319.317 0.498 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1nc(CCc2ccccc2)no1 ZINC000092228552 158112153 /nfs/dbraw/zinc/11/21/53/158112153.db2.gz GUDIRHAQODVBOW-CYBMUJFWSA-N 0 0 316.361 0.541 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000092229495 158112758 /nfs/dbraw/zinc/11/27/58/158112758.db2.gz UKJKYPKRPWZQEY-AWEZNQCLSA-N 0 0 317.389 0.021 10 0 DCAERN CCOC(=O)CN(C(C)C)S(=O)(=O)c1cn(CC)cn1 ZINC000092910690 158117496 /nfs/dbraw/zinc/11/74/96/158117496.db2.gz ULZGCUQWDCYLIY-UHFFFAOYSA-N 0 0 303.384 0.865 10 0 DCAERN COc1ccc(Cl)cc1NC(=O)CN1CCO[C@H](CO)C1 ZINC000094268307 158122896 /nfs/dbraw/zinc/12/28/96/158122896.db2.gz OKBNMZGAAAOJRF-NSHDSACASA-N 0 0 314.769 0.980 10 0 DCAERN CCOCCOCC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000098035695 158125275 /nfs/dbraw/zinc/12/52/75/158125275.db2.gz WFEJDPPIZBHUGO-UHFFFAOYSA-N 0 0 305.338 0.869 10 0 DCAERN COCCS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000101572656 158126619 /nfs/dbraw/zinc/12/66/19/158126619.db2.gz PDFMFNSQAKUMQJ-GFCCVEGCSA-N 0 0 306.428 0.148 10 0 DCAERN Cc1n[nH]cc1NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000102342749 158127680 /nfs/dbraw/zinc/12/76/80/158127680.db2.gz AFGDVUMVBAGKBX-SECBINFHSA-N 0 0 305.338 0.910 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 ZINC000105857808 158130405 /nfs/dbraw/zinc/13/04/05/158130405.db2.gz VFCYNDCIMBTNFN-LBPRGKRZSA-N 0 0 301.350 0.763 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815128 158131414 /nfs/dbraw/zinc/13/14/14/158131414.db2.gz DFPVZXOOWWMLAB-UHFFFAOYSA-N 0 0 305.382 0.796 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCCC[C@H]1C)N1CCOCC1 ZINC000106264954 158133636 /nfs/dbraw/zinc/13/36/36/158133636.db2.gz YDQJCHJRZVSAEE-CHWSQXEVSA-N 0 0 305.444 0.416 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCCC[C@@H]1C)N1CCOCC1 ZINC000106264956 158133667 /nfs/dbraw/zinc/13/36/67/158133667.db2.gz YDQJCHJRZVSAEE-QWHCGFSZSA-N 0 0 305.444 0.416 10 0 DCAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000109264581 158137114 /nfs/dbraw/zinc/13/71/14/158137114.db2.gz VGAQXMLOCTWEKF-DOMZBBRYSA-N 0 0 306.362 0.713 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000110817345 158138359 /nfs/dbraw/zinc/13/83/59/158138359.db2.gz WRFJEQJCIXZBJF-CYBMUJFWSA-N 0 0 320.393 0.020 10 0 DCAERN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1n[nH]c2c1CCCC2 ZINC000111144766 158139899 /nfs/dbraw/zinc/13/98/99/158139899.db2.gz WODBMVFTSAQGGE-JOYOIKCWSA-N 0 0 307.350 0.691 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000112714950 158143776 /nfs/dbraw/zinc/14/37/76/158143776.db2.gz KTCGLEXADWCHSZ-JTQLQIEISA-N 0 0 303.428 0.898 10 0 DCAERN CN(CCN(C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000114713034 158155769 /nfs/dbraw/zinc/15/57/69/158155769.db2.gz DXOLXWQKPYJNRF-UHFFFAOYSA-N 0 0 314.474 0.679 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000114737214 158156295 /nfs/dbraw/zinc/15/62/95/158156295.db2.gz VJBNVFLLMQEONF-LLVKDONJSA-N 0 0 322.390 0.852 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOC[C@H]1CCCO1)CC2 ZINC000114862868 158157727 /nfs/dbraw/zinc/15/77/27/158157727.db2.gz CWPBIBOSYOIHEY-CHWSQXEVSA-N 0 0 322.409 0.857 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CCN(C(C)C)C2=O)n1 ZINC000114827222 158157814 /nfs/dbraw/zinc/15/78/14/158157814.db2.gz AGVZICMGJYSVBP-GFCCVEGCSA-N 0 0 306.366 0.899 10 0 DCAERN O=C(CCCNC(=O)C1CC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000114856020 158157948 /nfs/dbraw/zinc/15/79/48/158157948.db2.gz DQYCHRGDFZRTFA-AWEZNQCLSA-N 0 0 309.410 0.272 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)C1CC1)CC2 ZINC000114868435 158158753 /nfs/dbraw/zinc/15/87/53/158158753.db2.gz WELXYEHSEQARSI-LBPRGKRZSA-N 0 0 319.409 0.578 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1snnc1CC)CC2 ZINC000114868740 158158944 /nfs/dbraw/zinc/15/89/44/158158944.db2.gz IMXPRBLEKQWAMC-QMMMGPOBSA-N 0 0 306.395 0.999 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(CC)C1)CC2 ZINC000114869956 158159275 /nfs/dbraw/zinc/15/92/75/158159275.db2.gz ZJLNKONJEBHWKN-WDEREUQCSA-N 0 0 305.382 0.140 10 0 DCAERN CCC[C@@H](O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000114922665 158160287 /nfs/dbraw/zinc/16/02/87/158160287.db2.gz UIXGOYGGDWGIPP-CYBMUJFWSA-N 0 0 307.398 0.906 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000114927117 158160609 /nfs/dbraw/zinc/16/06/09/158160609.db2.gz KPCGDBTVKQGPSG-CYBMUJFWSA-N 0 0 319.409 0.815 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000116835972 158167470 /nfs/dbraw/zinc/16/74/70/158167470.db2.gz XYMMRSCUANJPCN-SECBINFHSA-N 0 0 303.771 0.499 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCOC)C[C@@H]1C ZINC000117368727 158171634 /nfs/dbraw/zinc/17/16/34/158171634.db2.gz UJGIEDYPIBRVCO-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN O=C(CC1(O)CCCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000118763724 158179777 /nfs/dbraw/zinc/17/97/77/158179777.db2.gz VRAKIVMEYNHQQS-CQSZACIVSA-N 0 0 324.421 0.779 10 0 DCAERN CCOCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119788204 158190872 /nfs/dbraw/zinc/19/08/72/158190872.db2.gz ZZSHRCCMUZKYBZ-GFCCVEGCSA-N 0 0 304.412 0.440 10 0 DCAERN CN(C)c1ncc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cn1 ZINC000120025615 158192167 /nfs/dbraw/zinc/19/21/67/158192167.db2.gz NZIUBHROCZYLDG-JTQLQIEISA-N 0 0 306.370 0.662 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000120359301 158198391 /nfs/dbraw/zinc/19/83/91/158198391.db2.gz HMYYICRGEPQLBU-AWEZNQCLSA-N 0 0 305.378 0.312 10 0 DCAERN CN1CC[C@@H](CNC(=O)NCC2(CO)COC2)c2ccccc21 ZINC000120960629 158204915 /nfs/dbraw/zinc/20/49/15/158204915.db2.gz TWTOMVPEWYNYRN-ZDUSSCGKSA-N 0 0 319.405 0.918 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000121267570 158209373 /nfs/dbraw/zinc/20/93/73/158209373.db2.gz LTZDJKNAADFGGM-KGLIPLIRSA-N 0 0 308.382 0.781 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000121512501 158211667 /nfs/dbraw/zinc/21/16/67/158211667.db2.gz CNHRJRXLJOBRRN-JTQLQIEISA-N 0 0 306.370 0.159 10 0 DCAERN O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000122024326 158217075 /nfs/dbraw/zinc/21/70/75/158217075.db2.gz LYEBUSUYRDKEPM-KGLIPLIRSA-N 0 0 321.425 0.413 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)n1 ZINC000122819739 158223691 /nfs/dbraw/zinc/22/36/91/158223691.db2.gz ZMGDMCDITSNJSX-YPMHNXCESA-N 0 0 323.397 0.773 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC(CO)C1 ZINC000122806961 158223779 /nfs/dbraw/zinc/22/37/79/158223779.db2.gz POAKCIJZIHGWRP-INIZCTEOSA-N 0 0 302.374 0.973 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000122790666 158223880 /nfs/dbraw/zinc/22/38/80/158223880.db2.gz ZFANLPCJKZSBFB-UHFFFAOYSA-N 0 0 309.289 0.409 10 0 DCAERN NC(=O)C1([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000123033168 158226036 /nfs/dbraw/zinc/22/60/36/158226036.db2.gz WGDXZNRTDWHOTI-ZIAGYGMSSA-N 0 0 323.437 0.934 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)NCC2CCCCC2)C[C@@H](C)O1 ZINC000123237957 158227976 /nfs/dbraw/zinc/22/79/76/158227976.db2.gz BNEMUBHVDJMOCN-TZMCWYRMSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C(N)=O)cc1C ZINC000123362448 158229245 /nfs/dbraw/zinc/22/92/45/158229245.db2.gz NFEPXBMYNQFSEC-ZDUSSCGKSA-N 0 0 303.362 0.510 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N(C)CC(=O)NC3CC3)cnc2n1 ZINC000123678657 158233216 /nfs/dbraw/zinc/23/32/16/158233216.db2.gz DSLRMDMHKATLBM-UHFFFAOYSA-N 0 0 314.345 0.994 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000124368178 158241025 /nfs/dbraw/zinc/24/10/25/158241025.db2.gz IMVAFRZCSOEIMS-LBPRGKRZSA-N 0 0 306.362 0.959 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000125264664 158253763 /nfs/dbraw/zinc/25/37/63/158253763.db2.gz YJZBGWGMVWPIRM-VXGBXAGGSA-N 0 0 317.411 0.142 10 0 DCAERN COCCC(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000125621804 158258020 /nfs/dbraw/zinc/25/80/20/158258020.db2.gz QPGPBRPAYNHSKT-NSHDSACASA-N 0 0 306.428 0.878 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000126106393 158262070 /nfs/dbraw/zinc/26/20/70/158262070.db2.gz HIHBBDKRDXPFLB-QWHCGFSZSA-N 0 0 323.422 0.438 10 0 DCAERN CCCOCC(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000126071193 158262182 /nfs/dbraw/zinc/26/21/82/158262182.db2.gz YCXFYHVTUYQGLE-UHFFFAOYSA-N 0 0 312.391 0.910 10 0 DCAERN COC(=O)CNC(=O)CN1CCC(Nc2ccccc2F)CC1 ZINC000126450126 158265180 /nfs/dbraw/zinc/26/51/80/158265180.db2.gz LOTVWHBVECIQTD-UHFFFAOYSA-N 0 0 323.368 0.991 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000126993479 158270326 /nfs/dbraw/zinc/27/03/26/158270326.db2.gz RNBGRECMSSCNPC-FXPVBKGRSA-N 0 0 300.380 0.627 10 0 DCAERN C[C@H]1CN(C(=O)[C@H](C2CC2)N2CCCC2)CCS1(=O)=O ZINC000127247902 158270984 /nfs/dbraw/zinc/27/09/84/158270984.db2.gz ZAWFCCQGGVZOHV-AAEUAGOBSA-N 0 0 300.424 0.506 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000127232850 158271678 /nfs/dbraw/zinc/27/16/78/158271678.db2.gz ADAGMBWMIVNIOZ-ZDUSSCGKSA-N 0 0 300.380 0.962 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127326859 158272756 /nfs/dbraw/zinc/27/27/56/158272756.db2.gz QOGQXWGDIFKIFN-CABCVRRESA-N 0 0 312.410 0.552 10 0 DCAERN CCOCCOCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000127561061 158274313 /nfs/dbraw/zinc/27/43/13/158274313.db2.gz VFEXSNQAIXTYSK-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN O=C(CN1CC=C(c2ccccc2F)CC1)N1CCNC(=O)C1 ZINC000127467990 158274815 /nfs/dbraw/zinc/27/48/15/158274815.db2.gz FNTZCSPVKDPZRQ-UHFFFAOYSA-N 0 0 317.364 0.873 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 ZINC000128078131 158278619 /nfs/dbraw/zinc/27/86/19/158278619.db2.gz VBAAXSGSYQEYNT-KGLIPLIRSA-N 0 0 323.397 0.820 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H](CO)CC(C)(C)C)N1CCOCC1 ZINC000128305350 158280006 /nfs/dbraw/zinc/28/00/06/158280006.db2.gz NQGXJDQRQMPMCH-QWHCGFSZSA-N 0 0 301.431 0.803 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)CCC1=O ZINC000128555876 158281190 /nfs/dbraw/zinc/28/11/90/158281190.db2.gz NNIKOZRNEKXXGT-STQMWFEESA-N 0 0 309.341 0.779 10 0 DCAERN COc1cccc(CNC(=O)CNC(=O)NCc2ccco2)n1 ZINC000128604868 158282593 /nfs/dbraw/zinc/28/25/93/158282593.db2.gz QOIVJSFUWYNHKO-UHFFFAOYSA-N 0 0 318.333 0.799 10 0 DCAERN O=C(Nc1ccn(CCc2ccncc2)n1)C1=NNC(=O)CC1 ZINC000128825955 158283327 /nfs/dbraw/zinc/28/33/27/158283327.db2.gz OHMFILRXCTVETJ-UHFFFAOYSA-N 0 0 312.333 0.725 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000129051923 158285051 /nfs/dbraw/zinc/28/50/51/158285051.db2.gz FTMYMZIMXVFXNP-NWDGAFQWSA-N 0 0 313.361 0.971 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000131320689 158301491 /nfs/dbraw/zinc/30/14/91/158301491.db2.gz ZJIXGQHNBXCYIV-CMOBGSAGSA-N 0 0 320.455 0.618 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000131904843 158306864 /nfs/dbraw/zinc/30/68/64/158306864.db2.gz ULMJTHLCQKUTBC-KGLIPLIRSA-N 0 0 310.442 0.187 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cs1 ZINC000132405483 158310796 /nfs/dbraw/zinc/31/07/96/158310796.db2.gz KCHHVWNZMCCCOL-IUCAKERBSA-N 0 0 310.379 0.875 10 0 DCAERN C[C@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)[S@@](C)=O ZINC000132920389 158315059 /nfs/dbraw/zinc/31/50/59/158315059.db2.gz SBQZXXVEEWQJPS-MDTSDYNXSA-N 0 0 324.449 0.282 10 0 DCAERN CCS(=O)(=O)NCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000133476615 158319734 /nfs/dbraw/zinc/31/97/34/158319734.db2.gz DBSCUFHPTXERSA-SECBINFHSA-N 0 0 304.334 0.315 10 0 DCAERN O=C(C[C@H]1CSCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000133456629 158319799 /nfs/dbraw/zinc/31/97/99/158319799.db2.gz ILLCMSAEGXFAAD-ZDUSSCGKSA-N 0 0 317.418 0.979 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]cc1C ZINC000134673849 158328919 /nfs/dbraw/zinc/32/89/19/158328919.db2.gz BBEBKQVBZXYJRH-SNVBAGLBSA-N 0 0 300.384 0.861 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000135098918 158334219 /nfs/dbraw/zinc/33/42/19/158334219.db2.gz XCHLAWDJMHDAAT-BXKDBHETSA-N 0 0 323.315 0.706 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135269024 158335241 /nfs/dbraw/zinc/33/52/41/158335241.db2.gz HJOAOYCDIRLUDB-JTQLQIEISA-N 0 0 309.370 0.928 10 0 DCAERN C[C@@H](NC(=O)COC[C@@H]1CCOC1)c1nnc2n1CCCC2 ZINC000135308985 158335331 /nfs/dbraw/zinc/33/53/31/158335331.db2.gz RZFYPXNXHJXNOO-VXGBXAGGSA-N 0 0 308.382 0.845 10 0 DCAERN CC(C)(C)OC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135685017 158339642 /nfs/dbraw/zinc/33/96/42/158339642.db2.gz HQKROCBWXWBDKF-GFCCVEGCSA-N 0 0 318.439 0.828 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000135752566 158339681 /nfs/dbraw/zinc/33/96/81/158339681.db2.gz OEGXNWVHWAOOKB-GXTWGEPZSA-N 0 0 318.377 0.852 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135773873 158339959 /nfs/dbraw/zinc/33/99/59/158339959.db2.gz ROKMDRVSOXAHOB-CYBMUJFWSA-N 0 0 316.365 0.871 10 0 DCAERN Cc1c(CCC(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C ZINC000136088847 158341011 /nfs/dbraw/zinc/34/10/11/158341011.db2.gz DFFPMZNWBWHMRA-HNNXBMFYSA-N 0 0 306.410 0.594 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000136103929 158341867 /nfs/dbraw/zinc/34/18/67/158341867.db2.gz IBCSTSGJALGGBL-UHFFFAOYSA-N 0 0 307.325 0.755 10 0 DCAERN COC(=O)C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)CCO1 ZINC000168135895 158370908 /nfs/dbraw/zinc/37/09/08/158370908.db2.gz JVTPCSUYRJFRKG-NWDGAFQWSA-N 0 0 320.411 0.227 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C2CCC(O)CC2)cc1 ZINC000170008447 158373595 /nfs/dbraw/zinc/37/35/95/158373595.db2.gz RMBVWALKBKNQIK-UHFFFAOYSA-N 0 0 312.391 0.501 10 0 DCAERN COC(=O)c1cccc(C(=O)NCCCN2CCCC2=O)n1 ZINC000170236407 158373869 /nfs/dbraw/zinc/37/38/69/158373869.db2.gz IIZMPBLECRENTI-UHFFFAOYSA-N 0 0 305.334 0.611 10 0 DCAERN O=C(NCCCO)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170579051 158374687 /nfs/dbraw/zinc/37/46/87/158374687.db2.gz PGXDOCKPEFGJOX-SNVBAGLBSA-N 0 0 306.318 0.267 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1CCCC1=O ZINC000170316010 158374749 /nfs/dbraw/zinc/37/47/49/158374749.db2.gz DGACBNKRKLCOQL-STQMWFEESA-N 0 0 309.410 0.810 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCc1nncn1C(C)C ZINC000170597854 158374998 /nfs/dbraw/zinc/37/49/98/158374998.db2.gz RXVXUJHQGMWNJR-ZDUSSCGKSA-N 0 0 309.414 0.976 10 0 DCAERN CC(C)n1nnnc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000170778076 158377202 /nfs/dbraw/zinc/37/72/02/158377202.db2.gz DAAHKJFVLCLPAY-CYBMUJFWSA-N 0 0 322.413 0.467 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CCCOC1 ZINC000170934823 158377940 /nfs/dbraw/zinc/37/79/40/158377940.db2.gz DLOVNLIFNBMNJW-QMMMGPOBSA-N 0 0 304.393 0.613 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCOC3)n2)cc1 ZINC000171691338 158385491 /nfs/dbraw/zinc/38/54/91/158385491.db2.gz SAAGCQOQSJJHQO-ZDUSSCGKSA-N 0 0 301.350 0.944 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCc1cccnc1N(C)C ZINC000172245814 158392383 /nfs/dbraw/zinc/39/23/83/158392383.db2.gz OLOYGDGPYNWNDB-SNVBAGLBSA-N 0 0 314.411 0.380 10 0 DCAERN CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172311144 158392671 /nfs/dbraw/zinc/39/26/71/158392671.db2.gz IEAMAJOGIWHROV-QWHCGFSZSA-N 0 0 307.398 0.906 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)N1CCCC1=O ZINC000172438769 158394132 /nfs/dbraw/zinc/39/41/32/158394132.db2.gz ZQAZHCBPWWEQPQ-OUCADQQQSA-N 0 0 309.410 0.794 10 0 DCAERN CCNS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000172459092 158394939 /nfs/dbraw/zinc/39/49/39/158394939.db2.gz IGGGLPUIDGMNDR-GFCCVEGCSA-N 0 0 301.416 0.461 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172449185 158394947 /nfs/dbraw/zinc/39/49/47/158394947.db2.gz OQIVHWFKEGCJIN-WDEREUQCSA-N 0 0 311.407 0.769 10 0 DCAERN COc1ccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000172532217 158395059 /nfs/dbraw/zinc/39/50/59/158395059.db2.gz GQGOALRFITWKIG-RYUDHWBXSA-N 0 0 306.366 0.934 10 0 DCAERN COCCN(CC(F)F)C(=O)CNC(=O)c1ccccn1 ZINC000172534971 158395636 /nfs/dbraw/zinc/39/56/36/158395636.db2.gz VYQQGMOGYPYYAK-UHFFFAOYSA-N 0 0 301.293 0.552 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)n1 ZINC000172593946 158396609 /nfs/dbraw/zinc/39/66/09/158396609.db2.gz QHRMXOOHDFPLOB-SNVBAGLBSA-N 0 0 305.338 0.097 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000172630359 158397754 /nfs/dbraw/zinc/39/77/54/158397754.db2.gz AFGIYGUOVMKTMQ-OCCSQVGLSA-N 0 0 310.394 0.651 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172751931 158398300 /nfs/dbraw/zinc/39/83/00/158398300.db2.gz UUPLKDPVVWODAB-OAHLLOKOSA-N 0 0 317.389 0.350 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172692418 158398377 /nfs/dbraw/zinc/39/83/77/158398377.db2.gz RPFJQCIBJPZGRL-VXGBXAGGSA-N 0 0 304.346 0.814 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172743819 158398881 /nfs/dbraw/zinc/39/88/81/158398881.db2.gz PGBRBHXGSDUZIN-AWEZNQCLSA-N 0 0 318.373 0.891 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@H]1COc2ccccc2C1 ZINC000174090500 158414797 /nfs/dbraw/zinc/41/47/97/158414797.db2.gz MCCYGNBWRXQTFX-GFCCVEGCSA-N 0 0 301.350 0.916 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000176115733 158433269 /nfs/dbraw/zinc/43/32/69/158433269.db2.gz KVFFUCBRCZMZKR-UHFFFAOYSA-N 0 0 320.440 0.957 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000176498236 158438659 /nfs/dbraw/zinc/43/86/59/158438659.db2.gz HLNQRXIGUGCHBV-UHFFFAOYSA-N 0 0 324.352 0.819 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@@H]1CC(C)C ZINC000176698547 158441190 /nfs/dbraw/zinc/44/11/90/158441190.db2.gz XXSCXUHSBFPEKQ-LBPRGKRZSA-N 0 0 306.428 0.541 10 0 DCAERN CC[C@H](C)OCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179025478 158469031 /nfs/dbraw/zinc/46/90/31/158469031.db2.gz XRZYKMPDZIHJQV-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000179155294 158469672 /nfs/dbraw/zinc/46/96/72/158469672.db2.gz LKHAREUSZCTGKY-ZIAGYGMSSA-N 0 0 314.345 0.442 10 0 DCAERN O=C(CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)NCC(F)(F)F ZINC000182134254 158490883 /nfs/dbraw/zinc/49/08/83/158490883.db2.gz SRVULDNZBMTIAH-ZWNOBZJWSA-N 0 0 316.279 0.830 10 0 DCAERN COC[C@](C)(CCO)NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000182880773 158494043 /nfs/dbraw/zinc/49/40/43/158494043.db2.gz PNNKWYNEXFITNW-WBMJQRKESA-N 0 0 314.426 0.975 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000183671094 158501452 /nfs/dbraw/zinc/50/14/52/158501452.db2.gz BGJBTZXXVPCLCT-HNNXBMFYSA-N 0 0 302.334 0.994 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184336730 158507338 /nfs/dbraw/zinc/50/73/38/158507338.db2.gz YTCRTUYCUIWTRH-SNVBAGLBSA-N 0 0 318.420 0.761 10 0 DCAERN CNC(=O)CC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000184356539 158507886 /nfs/dbraw/zinc/50/78/86/158507886.db2.gz AIBUIJFDMKDNNQ-UHFFFAOYSA-N 0 0 323.418 0.913 10 0 DCAERN COCCN1C[C@H](C(=O)N(C)[C@@H](CO)CC(C)C)CC1=O ZINC000184628592 158510124 /nfs/dbraw/zinc/51/01/24/158510124.db2.gz SLOCQRKLNJGNFB-CHWSQXEVSA-N 0 0 300.399 0.347 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184643548 158510212 /nfs/dbraw/zinc/51/02/12/158510212.db2.gz SOEVCTOSVNECFW-UHFFFAOYSA-N 0 0 311.341 0.611 10 0 DCAERN CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1C ZINC000185180213 158515803 /nfs/dbraw/zinc/51/58/03/158515803.db2.gz XTEXHAQMADBKMO-SECBINFHSA-N 0 0 306.771 0.034 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2c2cccc(OC)c2)C1 ZINC000185302485 158518103 /nfs/dbraw/zinc/51/81/03/158518103.db2.gz UDHUZLODNKKRSO-GJZGRUSLSA-N 0 0 318.373 0.772 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)CNC(=O)c1cccnc1 ZINC000186075266 158526705 /nfs/dbraw/zinc/52/67/05/158526705.db2.gz DRHQXMUWVVDNLV-SECBINFHSA-N 0 0 305.256 0.193 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)N3CCNC(=O)CC3)cc12 ZINC000186147183 158528052 /nfs/dbraw/zinc/52/80/52/158528052.db2.gz SCXRTWMWZIDBQO-UHFFFAOYSA-N 0 0 324.362 0.296 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CN2CCCC2=O)C12CCOCC2 ZINC000187076803 158536557 /nfs/dbraw/zinc/53/65/57/158536557.db2.gz KPCZPKVZTXXHAC-QWHCGFSZSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979180 158541699 /nfs/dbraw/zinc/54/16/99/158541699.db2.gz LKZSZIGZXFUUOA-UHFFFAOYSA-N 0 0 305.309 0.501 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000189264958 158551225 /nfs/dbraw/zinc/55/12/25/158551225.db2.gz FMJWOEWMMKGRGM-LLVKDONJSA-N 0 0 316.361 0.182 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCCN(C)C(=O)C1)c1ccccc1 ZINC000189750680 158554969 /nfs/dbraw/zinc/55/49/69/158554969.db2.gz LPGUJFGXRDQDES-OAHLLOKOSA-N 0 0 317.389 0.945 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189766356 158555214 /nfs/dbraw/zinc/55/52/14/158555214.db2.gz SGFGFLANTBFJSV-UHFFFAOYSA-N 0 0 303.362 0.693 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000189756608 158555264 /nfs/dbraw/zinc/55/52/64/158555264.db2.gz HLGJNRQKKWTCJS-KBPBESRZSA-N 0 0 322.409 0.951 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCOCC(F)(F)C(F)F ZINC000189936185 158556644 /nfs/dbraw/zinc/55/66/44/158556644.db2.gz ZADDCEDUEOAQAL-SSDOTTSWSA-N 0 0 316.251 0.006 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190181609 158558097 /nfs/dbraw/zinc/55/80/97/158558097.db2.gz RUOJDUFTKKZLTE-NWDGAFQWSA-N 0 0 323.397 0.984 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cncn2)[C@@H]1CO ZINC000190267061 158558980 /nfs/dbraw/zinc/55/89/80/158558980.db2.gz SKYUVZANCRWOQZ-DGCLKSJQSA-N 0 0 316.365 0.575 10 0 DCAERN COCCN1CCCN([C@H](C(N)=O)c2ccc(F)cc2)CC1=O ZINC000190807382 158563531 /nfs/dbraw/zinc/56/35/31/158563531.db2.gz SLSGHWAPFBOUJH-HNNXBMFYSA-N 0 0 323.368 0.533 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000190985199 158564775 /nfs/dbraw/zinc/56/47/75/158564775.db2.gz LJPSQRFDPPVMPX-SECBINFHSA-N 0 0 317.798 0.775 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000192289871 158574481 /nfs/dbraw/zinc/57/44/81/158574481.db2.gz KEJWADWPEZKKNA-CYBMUJFWSA-N 0 0 303.362 0.348 10 0 DCAERN CCN1CN(C(=O)Nc2cccnc2-n2cncn2)CC1=O ZINC000192181990 158574687 /nfs/dbraw/zinc/57/46/87/158574687.db2.gz KRZWEKVQOXXFCW-UHFFFAOYSA-N 0 0 301.310 0.316 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000193454106 158583519 /nfs/dbraw/zinc/58/35/19/158583519.db2.gz WMMXTYCUUQKWEJ-TUVASFSCSA-N 0 0 312.410 0.536 10 0 DCAERN COCCN1CCCN(C(=O)c2c[nH]nc2C(C)C)CC1=O ZINC000194324263 158596204 /nfs/dbraw/zinc/59/62/04/158596204.db2.gz OEVKYEAJEBTTNN-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1ccc(C)cc1=O)CC2 ZINC000194714289 158599545 /nfs/dbraw/zinc/59/95/45/158599545.db2.gz CTBAHBCPDMGRBM-GFCCVEGCSA-N 0 0 315.377 0.442 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000195333468 158609532 /nfs/dbraw/zinc/60/95/32/158609532.db2.gz XOPUWRJXMFUDLX-GFCCVEGCSA-N 0 0 300.424 0.650 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1nccnc1N)CC2 ZINC000195405529 158610691 /nfs/dbraw/zinc/61/06/91/158610691.db2.gz IFEYCSGWCUVMNG-SECBINFHSA-N 0 0 301.354 0.519 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000195506817 158612114 /nfs/dbraw/zinc/61/21/14/158612114.db2.gz JRIHUYPHAPEUKV-JTQLQIEISA-N 0 0 303.428 0.885 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245991894 158656054 /nfs/dbraw/zinc/65/60/54/158656054.db2.gz MDHWMEQFQNAXQI-WUHRBBMRSA-N 0 0 321.377 0.501 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246836838 158671369 /nfs/dbraw/zinc/67/13/69/158671369.db2.gz ARPOMARRZBVCDZ-MJBXVCDLSA-N 0 0 303.362 0.885 10 0 DCAERN CC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248162742 158687099 /nfs/dbraw/zinc/68/70/99/158687099.db2.gz GVTYFCRHZUKDJN-YDHLFZDLSA-N 0 0 305.378 0.878 10 0 DCAERN CNC(=O)[C@H]1CN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CCO1 ZINC000248458259 158691703 /nfs/dbraw/zinc/69/17/03/158691703.db2.gz UOWFDEQNKGGJIS-HUUCEWRRSA-N 0 0 317.389 0.547 10 0 DCAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000248914007 158701071 /nfs/dbraw/zinc/70/10/71/158701071.db2.gz CQYYTFOJHCNSLV-HZMBPMFUSA-N 0 0 308.386 0.072 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263082935 158855717 /nfs/dbraw/zinc/85/57/17/158855717.db2.gz XSFXUGUVZBCJJV-LLVKDONJSA-N 0 0 303.353 0.748 10 0 DCAERN O=C(CNC(=O)[C@@H]1CC(F)(F)CN1)Nc1cccc(F)c1 ZINC000263106965 158856177 /nfs/dbraw/zinc/85/61/77/158856177.db2.gz ZZHKBGVTEKNVMG-JTQLQIEISA-N 0 0 301.268 0.878 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000270611083 158913657 /nfs/dbraw/zinc/91/36/57/158913657.db2.gz CWIKPOFYOZZPLH-DLOVCJGASA-N 0 0 307.354 0.002 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@H]1CO ZINC000300170432 158978337 /nfs/dbraw/zinc/97/83/37/158978337.db2.gz PCADSDMLZJTRPL-KKOKHZNYSA-N 0 0 305.396 0.361 10 0 DCAERN C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000327960101 159013509 /nfs/dbraw/zinc/01/35/09/159013509.db2.gz CHSMPORIVYORJG-GZMMTYOYSA-N 0 0 307.803 0.903 10 0 DCAERN COc1cc(C(=O)N2CCN[C@@H](c3cccnc3)C2)nn1C ZINC000328658247 159017918 /nfs/dbraw/zinc/01/79/18/159017918.db2.gz QRPJSSVNODZJKO-CYBMUJFWSA-N 0 0 301.350 0.610 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000328690173 159021190 /nfs/dbraw/zinc/02/11/90/159021190.db2.gz QTCDHGBHVAITKZ-AEFFLSMTSA-N 0 0 318.417 0.870 10 0 DCAERN Cc1nccn1-c1cncc(N(C)CC(=O)N2CCOCC2)n1 ZINC000328688740 159021250 /nfs/dbraw/zinc/02/12/50/159021250.db2.gz HSYFBQATBURYRD-UHFFFAOYSA-N 0 0 316.365 0.266 10 0 DCAERN COCCN1CN(C(=O)c2cccc3c2OCC(=O)N3)CC1=O ZINC000328701371 159022340 /nfs/dbraw/zinc/02/23/40/159022340.db2.gz WPUOEUVXFNQABY-UHFFFAOYSA-N 0 0 319.317 0.555 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC(=O)N1C ZINC000328713137 159023244 /nfs/dbraw/zinc/02/32/44/159023244.db2.gz NPNWZNMSYMFZON-SECBINFHSA-N 0 0 303.318 0.970 10 0 DCAERN COc1cccc(CC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC000328753288 159026482 /nfs/dbraw/zinc/02/64/82/159026482.db2.gz NRGWFURKTKKIDS-NSHDSACASA-N 0 0 312.391 0.526 10 0 DCAERN Cc1nc(-c2nc(CC(=O)N3CCN(C)CC3)no2)c(C)o1 ZINC000328824358 159032248 /nfs/dbraw/zinc/03/22/48/159032248.db2.gz GYUZCJWGDXVYCJ-UHFFFAOYSA-N 0 0 305.338 0.658 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(=O)c1 ZINC000328867510 159036367 /nfs/dbraw/zinc/03/63/67/159036367.db2.gz GYTZSAYEZYXXBM-KBPBESRZSA-N 0 0 305.378 0.088 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@H]2CCc3nc(C)nn3C2)no1 ZINC000328881636 159037178 /nfs/dbraw/zinc/03/71/78/159037178.db2.gz MJOPXHNYDCEMCF-JTQLQIEISA-N 0 0 311.367 0.317 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328892040 159037664 /nfs/dbraw/zinc/03/76/64/159037664.db2.gz SVQPNPOYXHNDGM-IHRRRGAJSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)N1CCSCC1 ZINC000328928976 159042911 /nfs/dbraw/zinc/04/29/11/159042911.db2.gz GXKHNXZYVFCWRU-NWDGAFQWSA-N 0 0 309.439 0.948 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)s1 ZINC000328945209 159045029 /nfs/dbraw/zinc/04/50/29/159045029.db2.gz VAKBXDIRLBWDSP-JTQLQIEISA-N 0 0 313.408 0.896 10 0 DCAERN Cc1noc([C@H](NC(=O)c2noc(C)n2)C2CCOCC2)n1 ZINC000328955714 159045816 /nfs/dbraw/zinc/04/58/16/159045816.db2.gz NJLRQQWZERTKAG-SNVBAGLBSA-N 0 0 307.310 0.967 10 0 DCAERN Cn1cnn(CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O ZINC000328952251 159045946 /nfs/dbraw/zinc/04/59/46/159045946.db2.gz XPFYLHAISBWLAZ-WFASDCNBSA-N 0 0 308.382 0.126 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 ZINC000329229194 159074854 /nfs/dbraw/zinc/07/48/54/159074854.db2.gz CKBVBSVEMRFHRO-RYUDHWBXSA-N 0 0 300.384 0.281 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)O1 ZINC000329248355 159076469 /nfs/dbraw/zinc/07/64/69/159076469.db2.gz WPSMWQUXCKOHHH-DGAVXFQQSA-N 0 0 310.394 0.507 10 0 DCAERN CC(C)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000329394746 159088892 /nfs/dbraw/zinc/08/88/92/159088892.db2.gz VJDMBLJSMBSJCK-HUUCEWRRSA-N 0 0 323.437 0.709 10 0 DCAERN Cn1nnc2c1C[C@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329539870 159101266 /nfs/dbraw/zinc/10/12/66/159101266.db2.gz WHAIKWZYUAPCRO-ZWNOBZJWSA-N 0 0 315.381 0.143 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnn3ccncc23)C(C)(C)C1 ZINC000329670994 159110683 /nfs/dbraw/zinc/11/06/83/159110683.db2.gz TWRXEOSGHSIYIZ-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3snnc3C3CC3)C[C@@H]21 ZINC000329737761 159116593 /nfs/dbraw/zinc/11/65/93/159116593.db2.gz TXNJPVGPMUUBSH-QWRGUYRKSA-N 0 0 308.407 0.961 10 0 DCAERN C[C@H](C(=O)N1CCOCC2(CCOCC2)C1)N1CCOCC1 ZINC000329761049 159118505 /nfs/dbraw/zinc/11/85/05/159118505.db2.gz QZHKXUJKMAHHJN-CQSZACIVSA-N 0 0 312.410 0.363 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000329862137 159124589 /nfs/dbraw/zinc/12/45/89/159124589.db2.gz QVYBFWNIUHTHGW-CAVOSLQRSA-N 0 0 310.394 0.792 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CC(=O)N(C2CC2)C1 ZINC000329866383 159124836 /nfs/dbraw/zinc/12/48/36/159124836.db2.gz UVFHZCGOGQZISM-UHFFFAOYSA-N 0 0 312.329 0.187 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)[C@]1(C)CCOC1 ZINC000329912726 159128362 /nfs/dbraw/zinc/12/83/62/159128362.db2.gz BKTLNNGRMVJWJJ-COPLHBTASA-N 0 0 301.362 0.819 10 0 DCAERN CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)[C@H]1CCOC1 ZINC000329923827 159129390 /nfs/dbraw/zinc/12/93/90/159129390.db2.gz IRIYJPARZXRMFA-RRFJBIMHSA-N 0 0 322.405 0.675 10 0 DCAERN Cc1cccc2nc(CN3CCN4C(=O)N=NC4C3)cc(=O)n12 ZINC000330034388 159136864 /nfs/dbraw/zinc/13/68/64/159136864.db2.gz WJMCOBXAKMWCOA-UHFFFAOYSA-N 0 0 312.333 0.316 10 0 DCAERN O=C1CCCN1CCN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000330069603 159139625 /nfs/dbraw/zinc/13/96/25/159139625.db2.gz HILJCKSCCGWCAM-UHFFFAOYSA-N 0 0 315.439 0.155 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330127473 159144209 /nfs/dbraw/zinc/14/42/09/159144209.db2.gz JBDHMOWASIGFFC-MNOVXSKESA-N 0 0 323.422 0.822 10 0 DCAERN COc1cccc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000330136073 159144976 /nfs/dbraw/zinc/14/49/76/159144976.db2.gz TXWOLQPOHAYMHZ-ZFWWWQNUSA-N 0 0 319.405 0.812 10 0 DCAERN Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1cnnn1C)CCC2 ZINC000330162674 159147111 /nfs/dbraw/zinc/14/71/11/159147111.db2.gz SJWVGHITLWOABL-JTQLQIEISA-N 0 0 310.383 0.176 10 0 DCAERN O=C(CCC(=O)N1CCO[C@H](C2CC2)C1)N1CCC(O)CC1 ZINC000330173704 159148325 /nfs/dbraw/zinc/14/83/25/159148325.db2.gz HOAOAHGZKUCDNK-AWEZNQCLSA-N 0 0 310.394 0.387 10 0 DCAERN O=C(c1ncncc1Cl)N1CC(=O)N(CC(F)(F)F)C1 ZINC000330187566 159148643 /nfs/dbraw/zinc/14/86/43/159148643.db2.gz KMEBPDGURPVWMJ-UHFFFAOYSA-N 0 0 308.647 0.934 10 0 DCAERN O=C(N1CCc2cc[nH]c(=O)c2C1)C1(N2CCOCC2)CCC1 ZINC000330221590 159151644 /nfs/dbraw/zinc/15/16/44/159151644.db2.gz LUKWFXRJRQMVSV-UHFFFAOYSA-N 0 0 317.389 0.927 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@]2(O)CCSC2)C1 ZINC000330219632 159151944 /nfs/dbraw/zinc/15/19/44/159151944.db2.gz PRFHFJGOZLOCHP-GIPNMCIBSA-N 0 0 313.379 0.534 10 0 DCAERN O=S(=O)(CCC1CCOCC1)NCc1ccnc2ccnn21 ZINC000330305277 159158535 /nfs/dbraw/zinc/15/85/35/159158535.db2.gz QNIORBDKLMOLAF-UHFFFAOYSA-N 0 0 324.406 0.965 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)COCC(F)(F)F ZINC000330428246 159171647 /nfs/dbraw/zinc/17/16/47/159171647.db2.gz KYFXVVCMEHITJI-CBAPKCEASA-N 0 0 314.329 0.991 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000332917902 159217381 /nfs/dbraw/zinc/21/73/81/159217381.db2.gz DUIYMAUMPUOQLI-KGLIPLIRSA-N 0 0 302.378 0.530 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000332919154 159217390 /nfs/dbraw/zinc/21/73/90/159217390.db2.gz BJBRFONFSQORKP-TYNCELHUSA-N 0 0 323.437 0.611 10 0 DCAERN C[C@@H](CNC(=O)N1CCO[C@H](C2CC2)C1)CN1CCOCC1 ZINC000332959357 159218230 /nfs/dbraw/zinc/21/82/30/159218230.db2.gz BJZYBJQQUKBSJF-ZFWWWQNUSA-N 0 0 311.426 0.775 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCCNC(C)=O)no1 ZINC000358477660 159255350 /nfs/dbraw/zinc/25/53/50/159255350.db2.gz KOLKNMVTNDFQMF-UHFFFAOYSA-N 0 0 312.326 0.132 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000367040749 159307696 /nfs/dbraw/zinc/30/76/96/159307696.db2.gz MYULZCWJBIGXES-FVCCEPFGSA-N 0 0 306.428 0.291 10 0 DCAERN CCOCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367250962 159325299 /nfs/dbraw/zinc/32/52/99/159325299.db2.gz BEJOGBXKRCAKQI-QWHCGFSZSA-N 0 0 300.399 0.890 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000367277415 159327324 /nfs/dbraw/zinc/32/73/24/159327324.db2.gz JAORXJQKPVRUOV-XHDPSFHLSA-N 0 0 316.398 0.757 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)CN2CCc3ncccc3C2)C1 ZINC000367858845 159360755 /nfs/dbraw/zinc/36/07/55/159360755.db2.gz MLZUCPSFAIGERS-HNNXBMFYSA-N 0 0 316.405 0.567 10 0 DCAERN Cc1noc2ncc(C(=O)N3CCN4CCOC[C@@H]4C3)cc12 ZINC000368323780 159387467 /nfs/dbraw/zinc/38/74/67/159387467.db2.gz JQTUBXBTOWAJRV-LBPRGKRZSA-N 0 0 302.334 0.688 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000368353951 159388783 /nfs/dbraw/zinc/38/87/83/159388783.db2.gz FKYSDVFMYJOXLV-QNWHQSFQSA-N 0 0 318.439 0.802 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1ccc(F)c(F)c1 ZINC000368820320 159419642 /nfs/dbraw/zinc/41/96/42/159419642.db2.gz DGBZNBONGRFJRD-GFCCVEGCSA-N 0 0 311.332 0.920 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1=O ZINC000370178797 159502532 /nfs/dbraw/zinc/50/25/32/159502532.db2.gz ITDZFHHVFJHFGH-AGIUHOORSA-N 0 0 305.382 0.897 10 0 DCAERN CCCCCCOCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000370254583 159507964 /nfs/dbraw/zinc/50/79/64/159507964.db2.gz CDKMXYGXBNFQKV-GFCCVEGCSA-N 0 0 306.428 0.863 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)on1 ZINC000372974713 159654409 /nfs/dbraw/zinc/65/44/09/159654409.db2.gz BBORSQSZHCRBEC-IINYFYTJSA-N 0 0 317.349 0.666 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC000374734865 159748085 /nfs/dbraw/zinc/74/80/85/159748085.db2.gz JRWBYECZXUZWMX-GXFFZTMASA-N 0 0 310.350 0.825 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1=O ZINC000374957037 159761739 /nfs/dbraw/zinc/76/17/39/159761739.db2.gz VNWOGIHELHYESD-ZIAGYGMSSA-N 0 0 324.421 0.899 10 0 DCAERN CCOC(CC(=O)N1CCC[C@H](S(N)(=O)=O)C1)OCC ZINC000375042266 159767458 /nfs/dbraw/zinc/76/74/58/159767458.db2.gz ZYSCVFIVJSVVGJ-JTQLQIEISA-N 0 0 308.400 0.055 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000376611622 159866587 /nfs/dbraw/zinc/86/65/87/159866587.db2.gz QZJFQHJIOHGBLB-GFCCVEGCSA-N 0 0 324.425 0.732 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000376894951 159882841 /nfs/dbraw/zinc/88/28/41/159882841.db2.gz JMIUIPRWBHTPGB-CYBMUJFWSA-N 0 0 318.377 0.642 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2ccco2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377856060 159946869 /nfs/dbraw/zinc/94/68/69/159946869.db2.gz MOWAWWBHOUYOEZ-KWBADKCTSA-N 0 0 314.363 0.384 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000378431126 159981753 /nfs/dbraw/zinc/98/17/53/159981753.db2.gz DUNRXCNXSZKXKT-UHFFFAOYSA-N 0 0 309.345 0.141 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)nc1C ZINC000407960771 159997156 /nfs/dbraw/zinc/99/71/56/159997156.db2.gz ZYJQCRQMSVPJOF-UHFFFAOYSA-N 0 0 312.395 0.207 10 0 DCAERN CO[C@@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000407959171 159997159 /nfs/dbraw/zinc/99/71/59/159997159.db2.gz RCCMZYFYBAMUPV-HIFRSBDPSA-N 0 0 306.366 0.236 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2COCCO2)C[C@H]1C ZINC000407966245 159998680 /nfs/dbraw/zinc/99/86/80/159998680.db2.gz AALCTPLDOOVLNA-JTNHKYCSSA-N 0 0 300.355 0.242 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000407971206 160000000 /nfs/dbraw/zinc/00/00/00/160000000.db2.gz HIEVEWVEKLWFIE-OLZOCXBDSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)CC(=O)N1C ZINC000407973009 160000237 /nfs/dbraw/zinc/00/02/37/160000237.db2.gz WSWMKFAXMQCTIJ-SNVBAGLBSA-N 0 0 302.334 0.431 10 0 DCAERN CC1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000407980907 160001507 /nfs/dbraw/zinc/00/15/07/160001507.db2.gz PQJMENYTBCBLKF-UHFFFAOYSA-N 0 0 313.379 0.128 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1 ZINC000407979105 160001702 /nfs/dbraw/zinc/00/17/02/160001702.db2.gz PEWOFBJAQGIGII-CABCVRRESA-N 0 0 324.469 0.386 10 0 DCAERN C[C@@H](C[C@@H]1CCCO1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000407987596 160003473 /nfs/dbraw/zinc/00/34/73/160003473.db2.gz QKFQSELUNVCXPE-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccon3)[C@@H]2C1 ZINC000407989007 160004846 /nfs/dbraw/zinc/00/48/46/160004846.db2.gz FHLINEZLEGXCDP-JHJVBQTASA-N 0 0 316.379 0.773 10 0 DCAERN CC(C)CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000407992956 160005199 /nfs/dbraw/zinc/00/51/99/160005199.db2.gz KBKWQWVGYTYSAK-UHFFFAOYSA-N 0 0 305.444 0.227 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000407991054 160005368 /nfs/dbraw/zinc/00/53/68/160005368.db2.gz SOFWZNJGDXBVLY-RRFJBIMHSA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000407995538 160006092 /nfs/dbraw/zinc/00/60/92/160006092.db2.gz HYXSIBVORVLDMF-AAEUAGOBSA-N 0 0 318.439 0.589 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC2(CCCCC2)C1 ZINC000407998643 160007258 /nfs/dbraw/zinc/00/72/58/160007258.db2.gz STMBHNXBQYCKGE-UHFFFAOYSA-N 0 0 303.428 0.613 10 0 DCAERN CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408000794 160008140 /nfs/dbraw/zinc/00/81/40/160008140.db2.gz IBTPYKJWOAYBBG-CYBMUJFWSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000408014344 160010940 /nfs/dbraw/zinc/01/09/40/160010940.db2.gz MNEMYAJCQSYLEJ-ZYHUDNBSSA-N 0 0 300.366 0.865 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408016664 160011889 /nfs/dbraw/zinc/01/18/89/160011889.db2.gz MGFXTPMQSKKTGR-QWHCGFSZSA-N 0 0 312.414 0.016 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000408015930 160012522 /nfs/dbraw/zinc/01/25/22/160012522.db2.gz FBNSGOUNDLBSNJ-UHFFFAOYSA-N 0 0 318.333 0.252 10 0 DCAERN CN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@@H](CO)C(C)(C)C ZINC000408018174 160012655 /nfs/dbraw/zinc/01/26/55/160012655.db2.gz PXEAVPBUKAULBB-QWRGUYRKSA-N 0 0 306.428 0.564 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)Cc2cc(C)on2)C(C)(C)C1 ZINC000408018667 160013151 /nfs/dbraw/zinc/01/31/51/160013151.db2.gz USBKPFXFPVPZKM-UHFFFAOYSA-N 0 0 315.395 0.756 10 0 DCAERN CCC1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000408020803 160014006 /nfs/dbraw/zinc/01/40/06/160014006.db2.gz NAXJEDGDLQZICM-UHFFFAOYSA-N 0 0 303.366 0.779 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000408021698 160014072 /nfs/dbraw/zinc/01/40/72/160014072.db2.gz RUMHGBCGANYLDJ-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000408028544 160015663 /nfs/dbraw/zinc/01/56/63/160015663.db2.gz PROLNIITHGVQTD-JQWIXIFHSA-N 0 0 320.411 0.273 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000408031348 160016483 /nfs/dbraw/zinc/01/64/83/160016483.db2.gz SWHMPUVCCCESFX-HZSPNIEDSA-N 0 0 309.410 0.176 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408032279 160016642 /nfs/dbraw/zinc/01/66/42/160016642.db2.gz UPYZHAXHZATLRK-GFCCVEGCSA-N 0 0 317.345 0.710 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C(N)=O ZINC000408031787 160016944 /nfs/dbraw/zinc/01/69/44/160016944.db2.gz PQKWNIUYCUPXFL-HTRCEHHLSA-N 0 0 322.308 0.846 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408041862 160020296 /nfs/dbraw/zinc/02/02/96/160020296.db2.gz IUVUQXPSXSMWLV-MGPQQGTHSA-N 0 0 320.455 0.130 10 0 DCAERN Cc1ccnc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000408045315 160021347 /nfs/dbraw/zinc/02/13/47/160021347.db2.gz QWQSCIULVJTGJG-OLZOCXBDSA-N 0 0 308.357 0.556 10 0 DCAERN COC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000408045189 160021448 /nfs/dbraw/zinc/02/14/48/160021448.db2.gz DOUWBJLQKAGVDM-GFCCVEGCSA-N 0 0 323.393 0.736 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H](F)C[C@H]1CO ZINC000408047176 160022599 /nfs/dbraw/zinc/02/25/99/160022599.db2.gz OKLJHYLMFMOFGN-CYDGBPFRSA-N 0 0 315.389 0.796 10 0 DCAERN CS(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408047108 160022673 /nfs/dbraw/zinc/02/26/73/160022673.db2.gz ZDBGXHAFNAJFCQ-BFHYXJOUSA-N 0 0 305.440 0.673 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000408050820 160023362 /nfs/dbraw/zinc/02/33/62/160023362.db2.gz FYLWXBVAEIPBQY-OLZOCXBDSA-N 0 0 303.366 0.386 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccnc3ccnn32)C1 ZINC000408049736 160023367 /nfs/dbraw/zinc/02/33/67/160023367.db2.gz FATREVBLHQSAOF-AWEZNQCLSA-N 0 0 303.322 0.041 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NC[C@H](O)C2CCCCC2)C1 ZINC000408050404 160023517 /nfs/dbraw/zinc/02/35/17/160023517.db2.gz CTEJDKRJDOMXSV-HOCLYGCPSA-N 0 0 312.410 0.417 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000408053793 160024232 /nfs/dbraw/zinc/02/42/32/160024232.db2.gz POINRCMLYLRABT-VXGBXAGGSA-N 0 0 316.423 0.328 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@](C)(O)C1 ZINC000408052428 160024239 /nfs/dbraw/zinc/02/42/39/160024239.db2.gz OSVNDDZBIHMDGC-IAQYHMDHSA-N 0 0 323.397 0.816 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408052726 160024413 /nfs/dbraw/zinc/02/44/13/160024413.db2.gz CTSFZEOOYUYDES-XNIJJKJLSA-N 0 0 312.410 0.536 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)c2=O)s1 ZINC000408055562 160025170 /nfs/dbraw/zinc/02/51/70/160025170.db2.gz WCXLBARTDBXCOW-GMSGAONNSA-N 0 0 320.374 0.258 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c1 ZINC000408058185 160025781 /nfs/dbraw/zinc/02/57/81/160025781.db2.gz HHMLRVDMUJRGLW-CYBMUJFWSA-N 0 0 315.377 0.958 10 0 DCAERN COC[C@H](C)N(C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408059704 160025871 /nfs/dbraw/zinc/02/58/71/160025871.db2.gz AZAMLPDDJFSRBX-QWRGUYRKSA-N 0 0 307.416 0.087 10 0 DCAERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000408062023 160026544 /nfs/dbraw/zinc/02/65/44/160026544.db2.gz NESYCAFVXNLKRA-JHJVBQTASA-N 0 0 315.439 0.620 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408066661 160027531 /nfs/dbraw/zinc/02/75/31/160027531.db2.gz AWRYUQIBKRGCOW-WDEREUQCSA-N 0 0 322.365 0.788 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000408070219 160028516 /nfs/dbraw/zinc/02/85/16/160028516.db2.gz HWIFXCPVRXEQNN-RYUDHWBXSA-N 0 0 303.428 0.059 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCO1 ZINC000408084154 160032066 /nfs/dbraw/zinc/03/20/66/160032066.db2.gz NCKUKYDRZOZAST-FDYHWXHSSA-N 0 0 306.428 0.745 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NC1CCS(=O)CC1 ZINC000408087897 160032319 /nfs/dbraw/zinc/03/23/19/160032319.db2.gz GDCTZYXNKXEVOB-IMKMIKCMSA-N 0 0 318.464 0.715 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@@H]1O ZINC000408091077 160033398 /nfs/dbraw/zinc/03/33/98/160033398.db2.gz GNCIQXCTEOIPFG-YPMHNXCESA-N 0 0 304.346 0.641 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2ncc3ccccc3c2=O)C[C@H]1O ZINC000408095100 160035153 /nfs/dbraw/zinc/03/51/53/160035153.db2.gz XEJGJRLNECCYPZ-BXUZGUMPSA-N 0 0 301.346 0.626 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C)C[C@@H]1C ZINC000408112001 160037956 /nfs/dbraw/zinc/03/79/56/160037956.db2.gz HRXYVPARVLGOJF-NSHDSACASA-N 0 0 316.409 0.836 10 0 DCAERN C[C@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CCS1(=O)=O ZINC000408110125 160038120 /nfs/dbraw/zinc/03/81/20/160038120.db2.gz LICKRQOUBKGLHN-JTQLQIEISA-N 0 0 318.420 0.499 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000408117219 160039566 /nfs/dbraw/zinc/03/95/66/160039566.db2.gz ZDCILCYBGCDRHS-WCFLWFBJSA-N 0 0 310.375 0.177 10 0 DCAERN C[C@H]1COC(C)(C)CN1C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000408118515 160040089 /nfs/dbraw/zinc/04/00/89/160040089.db2.gz SRTVLFRWCMSJSD-VIFPVBQESA-N 0 0 313.379 0.369 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@@](F)(CO)C3)cnc12 ZINC000408119344 160040125 /nfs/dbraw/zinc/04/01/25/160040125.db2.gz HASLDQRLPRAYNK-INIZCTEOSA-N 0 0 319.336 0.940 10 0 DCAERN C[C@@H]1CSCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000408117720 160040358 /nfs/dbraw/zinc/04/03/58/160040358.db2.gz GWVBFHKAIWAMJG-VIFPVBQESA-N 0 0 315.420 0.554 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408122069 160040828 /nfs/dbraw/zinc/04/08/28/160040828.db2.gz SZBXAFWGDQLEJW-UNXYVOJBSA-N 0 0 303.428 0.597 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@@](F)(CO)C3)nc2n1 ZINC000408120832 160041226 /nfs/dbraw/zinc/04/12/26/160041226.db2.gz JBXIHZGNJCREJT-AWEZNQCLSA-N 0 0 307.329 0.678 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408128171 160042695 /nfs/dbraw/zinc/04/26/95/160042695.db2.gz IFBFSPOWQGGRCD-AWEZNQCLSA-N 0 0 321.421 0.860 10 0 DCAERN CN1CC[C@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408131621 160043422 /nfs/dbraw/zinc/04/34/22/160043422.db2.gz ZPFLPIZBCSHBFF-KBPBESRZSA-N 0 0 321.421 0.716 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408131625 160044323 /nfs/dbraw/zinc/04/43/23/160044323.db2.gz ZPFLPIZBCSHBFF-ZIAGYGMSSA-N 0 0 321.421 0.716 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000408131764 160044334 /nfs/dbraw/zinc/04/43/34/160044334.db2.gz IEKIWKVQLUJTNZ-QJPTWQEYSA-N 0 0 303.428 0.418 10 0 DCAERN CCCN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408164177 160050101 /nfs/dbraw/zinc/05/01/01/160050101.db2.gz HCGCYEMARBHQJB-GRYCIOLGSA-N 0 0 316.423 0.327 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)cc1 ZINC000408174460 160052522 /nfs/dbraw/zinc/05/25/22/160052522.db2.gz JLJCZPSDUAMNRL-UHFFFAOYSA-N 0 0 324.402 0.847 10 0 DCAERN Cn1c(CN2CC[C@@H](NS(C)(=O)=O)C2)nnc1C1CCC1 ZINC000408176623 160053667 /nfs/dbraw/zinc/05/36/67/160053667.db2.gz HWFJKVUVASQCNW-LLVKDONJSA-N 0 0 313.427 0.206 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC3(CC3)C2)o1 ZINC000408178093 160053777 /nfs/dbraw/zinc/05/37/77/160053777.db2.gz VGKSGLZFHFMOGS-UHFFFAOYSA-N 0 0 314.363 0.440 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000408180238 160054564 /nfs/dbraw/zinc/05/45/64/160054564.db2.gz OKSBNVXYKCRFPT-JHJVBQTASA-N 0 0 324.425 0.600 10 0 DCAERN Cc1ccn2cc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)nc2c1 ZINC000408179802 160054587 /nfs/dbraw/zinc/05/45/87/160054587.db2.gz IRXKDUYLXHINIP-NSHDSACASA-N 0 0 322.390 0.406 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCN(C)c2ccccc2C1 ZINC000408184583 160055162 /nfs/dbraw/zinc/05/51/62/160055162.db2.gz CELBLEMRPUHAKY-UHFFFAOYSA-N 0 0 311.407 0.356 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCC2)CCN1CCOC ZINC000408184450 160055493 /nfs/dbraw/zinc/05/54/93/160055493.db2.gz YFFCZNQNIAZBMT-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@H]1n1ccnc1 ZINC000408184353 160055516 /nfs/dbraw/zinc/05/55/16/160055516.db2.gz BFOFVJKQGADOFE-NWDGAFQWSA-N 0 0 314.411 0.184 10 0 DCAERN NC(=O)c1ncc(Br)cc1N1CCC[C@H](O)C1 ZINC000408191735 160057043 /nfs/dbraw/zinc/05/70/43/160057043.db2.gz JWDHMMVYGUSHKK-QMMMGPOBSA-N 0 0 300.156 0.904 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCNC1=O)C(=O)N1CCCC[C@@H]1C ZINC000408195287 160057478 /nfs/dbraw/zinc/05/74/78/160057478.db2.gz NLVIIWJEHRTDLA-SDDRHHMPSA-N 0 0 310.398 0.354 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000408200114 160057999 /nfs/dbraw/zinc/05/79/99/160057999.db2.gz ZQUVGNJWONDUHG-LBPRGKRZSA-N 0 0 303.428 0.188 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000408200881 160058029 /nfs/dbraw/zinc/05/80/29/160058029.db2.gz FIVLKCRNPHQWOF-GFCCVEGCSA-N 0 0 303.428 0.564 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)C2(S(C)(=O)=O)CC2)CC1(C)C ZINC000408201399 160058368 /nfs/dbraw/zinc/05/83/68/160058368.db2.gz FEVJHROAHXEBMM-UHFFFAOYSA-N 0 0 316.423 0.421 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408201621 160058668 /nfs/dbraw/zinc/05/86/68/160058668.db2.gz FZJYMJDAGFVVGE-FRRDWIJNSA-N 0 0 309.410 0.664 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCNC(=O)[C@H]2c2cccs2)CC(=O)N1 ZINC000408204690 160059430 /nfs/dbraw/zinc/05/94/30/160059430.db2.gz OKNNUKCBTBOGHW-GIPNMCIBSA-N 0 0 321.402 0.662 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2[C@H](C)COC[C@H]2C)C1=O ZINC000408217248 160062274 /nfs/dbraw/zinc/06/22/74/160062274.db2.gz KQBZXXBGZNCLGF-GHMZBOCLSA-N 0 0 311.382 0.733 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000408220000 160063176 /nfs/dbraw/zinc/06/31/76/160063176.db2.gz RXJOUFRTEBSLJE-MCIGGMRASA-N 0 0 304.412 0.172 10 0 DCAERN Cc1cnc(C(=O)N2CCC(N3CCNC3=O)CC2)c(O)c1 ZINC000408229289 160064323 /nfs/dbraw/zinc/06/43/23/160064323.db2.gz POGAVPBUBARYQC-UHFFFAOYSA-N 0 0 304.350 0.725 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)CCC1 ZINC000408234740 160065196 /nfs/dbraw/zinc/06/51/96/160065196.db2.gz HCKKIQFWGCIJQS-QWRGUYRKSA-N 0 0 305.396 0.362 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C(N)=O)O1 ZINC000408233537 160065679 /nfs/dbraw/zinc/06/56/79/160065679.db2.gz VUBYIGPCFDSHSL-AGIUHOORSA-N 0 0 311.426 0.598 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cnn(C(C)C)c2)C1 ZINC000408236438 160066035 /nfs/dbraw/zinc/06/60/35/160066035.db2.gz IFYLQGISLBGTPE-GFCCVEGCSA-N 0 0 314.411 0.753 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)[C@@H](C)CO1 ZINC000408237060 160066137 /nfs/dbraw/zinc/06/61/37/160066137.db2.gz OYTLZQZZAZUGOT-DTWKUNHWSA-N 0 0 320.333 0.509 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000408237742 160066869 /nfs/dbraw/zinc/06/68/69/160066869.db2.gz RVSFBQRQULTNNX-OUAUKWLOSA-N 0 0 302.400 0.425 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n(C)n1 ZINC000408240934 160067003 /nfs/dbraw/zinc/06/70/03/160067003.db2.gz GPYVIXKOYALBAF-QWRGUYRKSA-N 0 0 314.411 0.319 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408239363 160067005 /nfs/dbraw/zinc/06/70/05/160067005.db2.gz YHJVRSYVQOABPA-MNOVXSKESA-N 0 0 315.395 0.534 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)sc3c2CCCC3)C1 ZINC000408241428 160067855 /nfs/dbraw/zinc/06/78/55/160067855.db2.gz JMUHVMUBVOFMMS-JTQLQIEISA-N 0 0 323.418 0.513 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCF ZINC000408242478 160067886 /nfs/dbraw/zinc/06/78/86/160067886.db2.gz VBEKMQSWBMUSRD-ZJUUUORDSA-N 0 0 316.420 0.126 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408244444 160068478 /nfs/dbraw/zinc/06/84/78/160068478.db2.gz DEAQVMCDMWUMIW-WOSRLPQWSA-N 0 0 310.394 0.699 10 0 DCAERN C[C@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)CCS1(=O)=O ZINC000408243702 160068563 /nfs/dbraw/zinc/06/85/63/160068563.db2.gz JVCSFQWOPQVWNH-OVWNDWIMSA-N 0 0 322.452 0.116 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000408254303 160070797 /nfs/dbraw/zinc/07/07/97/160070797.db2.gz COKFQOYNHHGLBY-UPJWGTAASA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408272858 160073488 /nfs/dbraw/zinc/07/34/88/160073488.db2.gz KDOPONMUHKCMBV-XQQFMLRXSA-N 0 0 302.440 0.752 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCOC2)C1)[S@](C)=O ZINC000408274977 160074274 /nfs/dbraw/zinc/07/42/74/160074274.db2.gz QZDHRMLEMMPNPT-YZRASEIHSA-N 0 0 304.412 0.344 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000408276605 160074310 /nfs/dbraw/zinc/07/43/10/160074310.db2.gz JSXAJPJGUHVBDG-KBVBSXBZSA-N 0 0 309.370 0.074 10 0 DCAERN CCC1(CC)CN(C(=O)C(C)(C)S(C)(=O)=O)CC[S@@]1=O ZINC000408277895 160075103 /nfs/dbraw/zinc/07/51/03/160075103.db2.gz SDLLOSCZPXEBPZ-IBGZPJMESA-N 0 0 323.480 0.959 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C ZINC000408278913 160075148 /nfs/dbraw/zinc/07/51/48/160075148.db2.gz ZWKCHRBLDWUEHB-CZUORRHYSA-N 0 0 321.425 0.987 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CC3(O)CCCC3)CCO2)n1 ZINC000408277840 160075279 /nfs/dbraw/zinc/07/52/79/160075279.db2.gz BYLDZCHTCJFHFG-AWEZNQCLSA-N 0 0 322.409 0.818 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000408284284 160075612 /nfs/dbraw/zinc/07/56/12/160075612.db2.gz WDJXVCUXJZDFSI-UHFFFAOYSA-N 0 0 319.427 0.185 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)C3CCC(O)CC3)CCO2)c1 ZINC000408284847 160076978 /nfs/dbraw/zinc/07/69/78/160076978.db2.gz BDNLYAQBZQWTGU-NRXISQOPSA-N 0 0 307.394 0.970 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C)C[C@H]1C ZINC000408287522 160077050 /nfs/dbraw/zinc/07/70/50/160077050.db2.gz RMHOLTXPZJCOJH-CJNGLKHVSA-N 0 0 307.394 0.070 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@H]1C ZINC000408291617 160077674 /nfs/dbraw/zinc/07/76/74/160077674.db2.gz ZTDUVFFVDHLFLG-MNOVXSKESA-N 0 0 309.370 0.690 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CO1 ZINC000408298150 160079108 /nfs/dbraw/zinc/07/91/08/160079108.db2.gz MHEYJLAKJCHFGU-OLZOCXBDSA-N 0 0 319.409 0.616 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408296404 160079138 /nfs/dbraw/zinc/07/91/38/160079138.db2.gz CZNPNQCVVZGDRI-HNNXBMFYSA-N 0 0 307.350 0.368 10 0 DCAERN C[C@@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000408297769 160079174 /nfs/dbraw/zinc/07/91/74/160079174.db2.gz KIYGDKPZMWIWKT-IAQYHMDHSA-N 0 0 313.398 0.491 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000408305280 160081044 /nfs/dbraw/zinc/08/10/44/160081044.db2.gz ITJOWWQLRDUXOT-RISCZKNCSA-N 0 0 300.424 0.618 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000408306534 160081766 /nfs/dbraw/zinc/08/17/66/160081766.db2.gz AFVUDAVVMKHRQY-QZXWKGOOSA-N 0 0 301.412 0.208 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)[C@H]1OC ZINC000408313655 160083256 /nfs/dbraw/zinc/08/32/56/160083256.db2.gz LIBCHOASXIJXMI-JZRPKSSGSA-N 0 0 322.427 0.122 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1=CCOCC1 ZINC000408317204 160084147 /nfs/dbraw/zinc/08/41/47/160084147.db2.gz FXNFTRNHADZETP-RYUDHWBXSA-N 0 0 302.396 0.310 10 0 DCAERN CC[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@]2(CCOC2)O1 ZINC000408329368 160085986 /nfs/dbraw/zinc/08/59/86/160085986.db2.gz YODBNAVWGYJLNC-XHDPSFHLSA-N 0 0 308.334 0.789 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCOC2(CCOCC2)C1 ZINC000408359058 160091430 /nfs/dbraw/zinc/09/14/30/160091430.db2.gz JZYUQFZQYLFAMW-UHFFFAOYSA-N 0 0 313.398 0.492 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408359166 160091707 /nfs/dbraw/zinc/09/17/07/160091707.db2.gz SMAAMWQPFCJLMU-MNOVXSKESA-N 0 0 311.382 0.720 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000408367812 160092893 /nfs/dbraw/zinc/09/28/93/160092893.db2.gz YIIQOFZNBSDEIB-MCIONIFRSA-N 0 0 319.471 0.208 10 0 DCAERN CC(C)NS(=O)(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000408364631 160093070 /nfs/dbraw/zinc/09/30/70/160093070.db2.gz ADHPNDCDUDBWLF-CYBMUJFWSA-N 0 0 305.444 0.272 10 0 DCAERN Cn1ncc(Br)c1CN1CCN2C(=O)NC[C@H]2C1 ZINC000408364566 160093335 /nfs/dbraw/zinc/09/33/35/160093335.db2.gz CYVLEASKJZOTMN-QMMMGPOBSA-N 0 0 314.187 0.392 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCO[C@@H](CO)C1 ZINC000408368699 160093639 /nfs/dbraw/zinc/09/36/39/160093639.db2.gz MDRHZZGPRSRHLK-WCQYABFASA-N 0 0 313.398 0.227 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCO[C@H](CO)C1 ZINC000408369325 160093982 /nfs/dbraw/zinc/09/39/82/160093982.db2.gz VOUYBFKZJKSVPO-FRRDWIJNSA-N 0 0 313.398 0.084 10 0 DCAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CCO[C@@H](CO)C1 ZINC000408383011 160096717 /nfs/dbraw/zinc/09/67/17/160096717.db2.gz UJWOPRDXMCWPOK-GFCCVEGCSA-N 0 0 305.334 0.796 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408387806 160097473 /nfs/dbraw/zinc/09/74/73/160097473.db2.gz SMDFTTOTRRUOBQ-VIFPVBQESA-N 0 0 320.802 0.219 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)CCO1 ZINC000408389029 160098252 /nfs/dbraw/zinc/09/82/52/160098252.db2.gz YMTCUIVZLLKQGB-MNOVXSKESA-N 0 0 300.355 0.527 10 0 DCAERN CN(C)c1nccc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000408390635 160098341 /nfs/dbraw/zinc/09/83/41/160098341.db2.gz XVOXXQGPJJCANI-HNNXBMFYSA-N 0 0 318.381 0.357 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2nc(C)no2)o1 ZINC000408390346 160098383 /nfs/dbraw/zinc/09/83/83/160098383.db2.gz UPPTYXMSMXZFHF-VHSXEESVSA-N 0 0 313.335 0.776 10 0 DCAERN O=C(CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1)N1CCOCC1 ZINC000408392792 160098971 /nfs/dbraw/zinc/09/89/71/160098971.db2.gz CUMPQZGMKWOJNU-HUUCEWRRSA-N 0 0 321.421 0.036 10 0 DCAERN CN(C)c1nc2ccc(NC(=O)N3C[C@@H](O)[C@H](O)C3)cc2o1 ZINC000408392329 160099020 /nfs/dbraw/zinc/09/90/20/160099020.db2.gz BIKBVWRKXNBYTP-GHMZBOCLSA-N 0 0 306.322 0.463 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@@H]1CCCO1 ZINC000408394216 160099203 /nfs/dbraw/zinc/09/92/03/160099203.db2.gz OIQPRMWVSIEXNJ-CYDGBPFRSA-N 0 0 322.427 0.124 10 0 DCAERN CN(C(=O)N1CCS(=O)(=O)CC1)C1CCC(CO)CC1 ZINC000408396115 160099518 /nfs/dbraw/zinc/09/95/18/160099518.db2.gz ONNMKKSXPRFBSU-UHFFFAOYSA-N 0 0 304.412 0.320 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408397637 160100430 /nfs/dbraw/zinc/10/04/30/160100430.db2.gz VOWBEOAKUURODP-OAHLLOKOSA-N 0 0 302.334 0.529 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000408407223 160101856 /nfs/dbraw/zinc/10/18/56/160101856.db2.gz QBXKECHOGMUKFJ-OLZOCXBDSA-N 0 0 320.397 0.732 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000408406295 160102161 /nfs/dbraw/zinc/10/21/61/160102161.db2.gz MMGMXRYTPQSINN-VXGBXAGGSA-N 0 0 320.397 0.718 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408421545 160104432 /nfs/dbraw/zinc/10/44/32/160104432.db2.gz LKSGOXWMRKMCTH-RYUDHWBXSA-N 0 0 313.423 0.924 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC1CC1 ZINC000408423478 160104906 /nfs/dbraw/zinc/10/49/06/160104906.db2.gz YRARGPGVAYJEDT-NEPJUHHUSA-N 0 0 324.468 0.566 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408433477 160106652 /nfs/dbraw/zinc/10/66/52/160106652.db2.gz BDHCUNFJELCHFM-GMTAPVOTSA-N 0 0 312.457 0.044 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408433862 160106764 /nfs/dbraw/zinc/10/67/64/160106764.db2.gz NZWJQGPTROZFHS-SECBINFHSA-N 0 0 311.342 0.907 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408435729 160107716 /nfs/dbraw/zinc/10/77/16/160107716.db2.gz PGTLCCWKBGSYNE-GARJFASQSA-N 0 0 312.457 0.044 10 0 DCAERN C[C@H](C(=O)N1CCC(C)(C)S(=O)(=O)CC1)N1CCOCC1 ZINC000408447253 160110052 /nfs/dbraw/zinc/11/00/52/160110052.db2.gz WCNACWNGJRLRQR-GFCCVEGCSA-N 0 0 318.439 0.133 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCCCc2ccccc21 ZINC000408449599 160110243 /nfs/dbraw/zinc/11/02/43/160110243.db2.gz AKQUTTHTDMIHHL-UHFFFAOYSA-N 0 0 311.407 0.800 10 0 DCAERN CC1(O)CC(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000408453547 160111786 /nfs/dbraw/zinc/11/17/86/160111786.db2.gz RIYQDHXTFKLATQ-UHFFFAOYSA-N 0 0 318.373 0.838 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)C2(COC)CC2)CC(C)(C)O1 ZINC000408459533 160112976 /nfs/dbraw/zinc/11/29/76/160112976.db2.gz ISIOMSHKIQZMSS-NSHDSACASA-N 0 0 307.412 0.621 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2cncc(Br)c2)C1 ZINC000408463612 160113804 /nfs/dbraw/zinc/11/38/04/160113804.db2.gz CHCZELDWMUYTCG-VIFPVBQESA-N 0 0 320.212 0.972 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)C[C@H]1C(N)=O ZINC000408473575 160116047 /nfs/dbraw/zinc/11/60/47/160116047.db2.gz AEWVWQQBOLTUQG-BXKDBHETSA-N 0 0 300.314 0.986 10 0 DCAERN CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1COC1)[NH+]1CCCCC1 ZINC000408476855 160117219 /nfs/dbraw/zinc/11/72/19/160117219.db2.gz MTEYFMQZUOEJNQ-GFCCVEGCSA-N 0 0 304.412 0.342 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@@H]1c1ccncc1 ZINC000043804005 286885755 /nfs/dbraw/zinc/88/57/55/286885755.db2.gz FFFSFZFNJNJSIT-VXGBXAGGSA-N 0 0 302.334 0.733 10 0 DCAERN CCOCCOCC(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000056968972 286899058 /nfs/dbraw/zinc/89/90/58/286899058.db2.gz ZAJHOIBBSCZPBT-UHFFFAOYSA-N 0 0 318.377 0.996 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(CCOC)nn1C ZINC000128195195 286981905 /nfs/dbraw/zinc/98/19/05/286981905.db2.gz RZCPIUZARAIBKQ-LLVKDONJSA-N 0 0 309.370 0.351 10 0 DCAERN CCCC[C@H](COC)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000129010192 286985971 /nfs/dbraw/zinc/98/59/71/286985971.db2.gz LQRVKSRTJWCMAX-LLVKDONJSA-N 0 0 321.381 0.451 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCc1cccc(C(N)=O)c1 ZINC000129338943 286987595 /nfs/dbraw/zinc/98/75/95/286987595.db2.gz QYJRMQOSUVYKIG-UHFFFAOYSA-N 0 0 320.393 0.842 10 0 DCAERN O=C(Nc1cccnc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000130821253 286996714 /nfs/dbraw/zinc/99/67/14/286996714.db2.gz SKXYDDHOZHFFJV-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN CSC[C@H](CCO)NC(=O)Cn1cnc2ccccc2c1=O ZINC000132865973 287007583 /nfs/dbraw/zinc/00/75/83/287007583.db2.gz WAUIWZMVWCUYCO-NSHDSACASA-N 0 0 321.402 0.627 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)CCS1(=O)=O ZINC000251519079 296846613 /nfs/dbraw/zinc/84/66/13/296846613.db2.gz COPZJOWGORKKDP-WRWGMCAJSA-N 0 0 302.396 0.382 10 0 DCAERN CCc1oc(C(=O)NCCN2CCCS2(=O)=O)cc1C ZINC000151384424 287033463 /nfs/dbraw/zinc/03/34/63/287033463.db2.gz IVZSLJDURNBHQX-UHFFFAOYSA-N 0 0 300.380 0.916 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000153284033 287048831 /nfs/dbraw/zinc/04/88/31/287048831.db2.gz PIMJLWVDDUJGTL-UHFFFAOYSA-N 0 0 304.354 0.553 10 0 DCAERN O=C(CCNC(=O)Nc1nncs1)NCc1ccccn1 ZINC000153385242 287049973 /nfs/dbraw/zinc/04/99/73/287049973.db2.gz QQISZGAWAOESMI-UHFFFAOYSA-N 0 0 306.351 0.761 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186876255 287057933 /nfs/dbraw/zinc/05/79/33/287057933.db2.gz SEQHJEVXMRRPAG-ZWNOBZJWSA-N 0 0 321.425 0.840 10 0 DCAERN C[C@H](O)CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[C@H](C)O ZINC000245930900 287074520 /nfs/dbraw/zinc/07/45/20/287074520.db2.gz YNAFKGYMEVZRFT-WUHRBBMRSA-N 0 0 300.399 0.177 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000246085935 287076496 /nfs/dbraw/zinc/07/64/96/287076496.db2.gz GGFYVNORYQRIBI-QWHCGFSZSA-N 0 0 305.444 0.366 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)[C@@H](C)CO1 ZINC000246218023 287079379 /nfs/dbraw/zinc/07/93/79/287079379.db2.gz PSWBAFVRTDJWSL-QWHCGFSZSA-N 0 0 313.423 0.910 10 0 DCAERN COc1c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)nn1C ZINC000246904772 287088993 /nfs/dbraw/zinc/08/89/93/287088993.db2.gz XYAFNBLPVPNKRM-QWRGUYRKSA-N 0 0 310.398 0.264 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246627720 287086195 /nfs/dbraw/zinc/08/61/95/287086195.db2.gz YLEUWDJMQCBJFT-STQMWFEESA-N 0 0 305.444 0.226 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000247083503 287090893 /nfs/dbraw/zinc/09/08/93/287090893.db2.gz XTXWJEBHAWMJIN-RDBSUJKOSA-N 0 0 312.410 0.944 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220713 287092095 /nfs/dbraw/zinc/09/20/95/287092095.db2.gz VKUSAAXOKMRALP-CHWSQXEVSA-N 0 0 317.455 0.401 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247249163 287092474 /nfs/dbraw/zinc/09/24/74/287092474.db2.gz ZRFMJCISRVUSPR-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H](C)C[S@@](C)=O)CCN1CCOC ZINC000248443787 287097148 /nfs/dbraw/zinc/09/71/48/287097148.db2.gz BHNALXWEOMVVFV-SQHYZVFZSA-N 0 0 319.471 0.506 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H](C)C[S@](C)=O)CCN1CCOC ZINC000248443789 287097371 /nfs/dbraw/zinc/09/73/71/287097371.db2.gz BHNALXWEOMVVFV-ZNLKAECVSA-N 0 0 319.471 0.506 10 0 DCAERN CCC1(CC)CN([C@H](C)C(=O)NC(=O)NC)CC[S@@]1=O ZINC000249019098 287105321 /nfs/dbraw/zinc/10/53/21/287105321.db2.gz QFZGXQGIKRJGSZ-SBKAZYGRSA-N 0 0 303.428 0.454 10 0 DCAERN O=C(c1cc(N2CCNC(=O)C2)ccn1)N1C[C@@H]2CCC[C@H]2C1 ZINC000249488960 287111882 /nfs/dbraw/zinc/11/18/82/287111882.db2.gz UWYJZJSIJJBBHK-STQMWFEESA-N 0 0 314.389 0.890 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)C[C@H](C)O1 ZINC000249481341 287111908 /nfs/dbraw/zinc/11/19/08/287111908.db2.gz VOJHCNARPZEPCH-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000249780061 287118080 /nfs/dbraw/zinc/11/80/80/287118080.db2.gz CUGYWKWPXRTCIS-UONOGXRCSA-N 0 0 311.426 0.160 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)C[C@]2(CCOC2)O1 ZINC000369612335 287203849 /nfs/dbraw/zinc/20/38/49/287203849.db2.gz HLBPINPWWDEVSY-XQQFMLRXSA-N 0 0 307.412 0.621 10 0 DCAERN COCCNC(=O)CNC(=O)Nc1cccc2c1OCCC2 ZINC000363872068 287218786 /nfs/dbraw/zinc/21/87/86/287218786.db2.gz KLBGHQMKXNLCFZ-UHFFFAOYSA-N 0 0 307.350 0.896 10 0 DCAERN CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCC2)ccc1C ZINC000408061168 287233173 /nfs/dbraw/zinc/23/31/73/287233173.db2.gz ITZKJICBGCKTNK-UHFFFAOYSA-N 0 0 319.408 0.266 10 0 DCAERN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000408355190 287233663 /nfs/dbraw/zinc/23/36/63/287233663.db2.gz LLUWERQOTDJSBY-UWVGGRQHSA-N 0 0 313.379 0.438 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)Nc2ccon2)CC1 ZINC000614580550 412355303 /nfs/dbraw/zinc/35/53/03/412355303.db2.gz QHKDGABLSGHAPC-UHFFFAOYSA-N 0 0 310.354 0.182 10 0 DCAERN COC(=O)c1ccc(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)nn1 ZINC000619632202 412379790 /nfs/dbraw/zinc/37/97/90/412379790.db2.gz YSRIUXVIROZTDV-VIFPVBQESA-N 0 0 321.337 0.348 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOc2c1c(C)nn2C ZINC000268103629 415158444 /nfs/dbraw/zinc/15/84/44/415158444.db2.gz GJUDBQRWRYDSCG-SNVBAGLBSA-N 0 0 324.406 0.765 10 0 DCAERN CC(=O)N1CCN(c2nc3ccccc3c(NCCO)n2)CC1 ZINC000029078408 415176981 /nfs/dbraw/zinc/17/69/81/415176981.db2.gz CINBJSDFBSTTPK-UHFFFAOYSA-N 0 0 315.377 0.703 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCNC(=O)C1CC1 ZINC000043945009 415218965 /nfs/dbraw/zinc/21/89/65/415218965.db2.gz SXLMNFIQOFUPNH-LLVKDONJSA-N 0 0 318.377 0.839 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1 ZINC000046165435 415255547 /nfs/dbraw/zinc/25/55/47/415255547.db2.gz XVWDZVLEQRDAHG-WCQYABFASA-N 0 0 313.361 0.923 10 0 DCAERN COCCN(CCOC)C(=O)NCc1cccnc1N(C)C ZINC000046300158 415259298 /nfs/dbraw/zinc/25/92/98/415259298.db2.gz CIOBEOYAGGGEBY-UHFFFAOYSA-N 0 0 310.398 0.952 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000054046298 415324167 /nfs/dbraw/zinc/32/41/67/415324167.db2.gz GRVQHUCDWVJTGW-JTQLQIEISA-N 0 0 302.338 0.374 10 0 DCAERN Cc1cc(C)nc(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1 ZINC000274230356 415338935 /nfs/dbraw/zinc/33/89/35/415338935.db2.gz XTOQMWBSSWEBKJ-OAHLLOKOSA-N 0 0 317.349 0.856 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276033277 415416033 /nfs/dbraw/zinc/41/60/33/415416033.db2.gz RNDPHGYNMBGILI-GFCCVEGCSA-N 0 0 305.382 0.881 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000067201410 415374250 /nfs/dbraw/zinc/37/42/50/415374250.db2.gz SUXGDFWLHQUENE-UONOGXRCSA-N 0 0 317.389 0.280 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275380095 415376240 /nfs/dbraw/zinc/37/62/40/415376240.db2.gz ZBCWMJWSKALTAP-FPMFFAJLSA-N 0 0 303.366 0.899 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000068096732 415388558 /nfs/dbraw/zinc/38/85/58/415388558.db2.gz QHAIVPNVXNQQKK-AVGNSLFASA-N 0 0 309.410 0.747 10 0 DCAERN CO[C@H]1C[C@H](CO)N(S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000343184681 415490512 /nfs/dbraw/zinc/49/05/12/415490512.db2.gz XNPZNXZXWZJDNV-BDAKNGLRSA-N 0 0 307.318 0.735 10 0 DCAERN CC[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)OC ZINC000084277026 415495425 /nfs/dbraw/zinc/49/54/25/415495425.db2.gz ODPOOAIYPVPMDL-SNVBAGLBSA-N 0 0 303.318 0.464 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000075522618 415447580 /nfs/dbraw/zinc/44/75/80/415447580.db2.gz CLDKJRJCVSAWAD-NSODJVPESA-N 0 0 301.346 0.978 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cnn1 ZINC000276204866 415450666 /nfs/dbraw/zinc/45/06/66/415450666.db2.gz KECYAOSBYLEJLZ-GFCCVEGCSA-N 0 0 306.391 0.826 10 0 DCAERN Cc1cc(C(=O)NCCNS(C)(=O)=O)nn1-c1ccccc1 ZINC000076452703 415457323 /nfs/dbraw/zinc/45/73/23/415457323.db2.gz DOKQDIACWHTVLW-UHFFFAOYSA-N 0 0 322.390 0.460 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C1CCOCC1 ZINC000332754754 415466913 /nfs/dbraw/zinc/46/69/13/415466913.db2.gz JVXZZPFXINXKMK-AEGPPILISA-N 0 0 311.426 0.916 10 0 DCAERN CCNC(=O)c1ccc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)nc1 ZINC000332773454 415470054 /nfs/dbraw/zinc/47/00/54/415470054.db2.gz VNSCVUZMZAACEF-ZIAGYGMSSA-N 0 0 304.394 0.741 10 0 DCAERN CCC[C@H]1C[C@H](C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332776781 415471905 /nfs/dbraw/zinc/47/19/05/415471905.db2.gz VAIUFIPMHCXQLD-ZOBORPQBSA-N 0 0 308.382 0.930 10 0 DCAERN CCC1(CNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000086464773 415509100 /nfs/dbraw/zinc/50/91/00/415509100.db2.gz ACYIRWRNONZDLU-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nc[nH]n1)c1ccccc1 ZINC000086169719 415511115 /nfs/dbraw/zinc/51/11/15/415511115.db2.gz ASKNRISATUIFGK-UWVGGRQHSA-N 0 0 308.363 0.844 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1ccc(-n2ccnn2)cc1 ZINC000089853764 415521451 /nfs/dbraw/zinc/52/14/51/415521451.db2.gz HPHHEBHMWRFVTK-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN CO[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000280212322 415534470 /nfs/dbraw/zinc/53/44/70/415534470.db2.gz AFFDOBFMNAHTBW-GXTWGEPZSA-N 0 0 320.393 0.765 10 0 DCAERN C[C@H](NC(=O)C1CCN(CC(N)=O)CC1)c1ccc(O)cc1 ZINC000091677520 415538686 /nfs/dbraw/zinc/53/86/86/415538686.db2.gz POOFWQBDNPENJK-NSHDSACASA-N 0 0 305.378 0.767 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000333131543 415565235 /nfs/dbraw/zinc/56/52/35/415565235.db2.gz WVAPDQMIXYVCRC-MUYACECFSA-N 0 0 320.393 0.764 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC000333149589 415571273 /nfs/dbraw/zinc/57/12/73/415571273.db2.gz FCIXGZBZQRQFQC-VOAKCMCISA-N 0 0 316.423 0.773 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1C ZINC000102832776 415601776 /nfs/dbraw/zinc/60/17/76/415601776.db2.gz ORBJPKXVWUJSCN-UHFFFAOYSA-N 0 0 308.382 0.384 10 0 DCAERN CC1(C)CCCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000102958594 415603358 /nfs/dbraw/zinc/60/33/58/415603358.db2.gz SZYJWGHKQISWJW-UHFFFAOYSA-N 0 0 303.428 0.994 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333302843 415604473 /nfs/dbraw/zinc/60/44/73/415604473.db2.gz MPRXNIQSKCUFHW-FRRDWIJNSA-N 0 0 307.398 0.668 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 ZINC000103279718 415614616 /nfs/dbraw/zinc/61/46/16/415614616.db2.gz USMFLQNHSJRAQZ-CQSZACIVSA-N 0 0 324.402 0.511 10 0 DCAERN C[C@@H]1C[C@H]1c1nnc2ccc(N[C@H]3CCC(=O)N(C)C3=O)nn21 ZINC000333420099 415643787 /nfs/dbraw/zinc/64/37/87/415643787.db2.gz IYDAWICCDCESIO-BBBLOLIVSA-N 0 0 314.349 0.807 10 0 DCAERN c1cn2c(n1)CN(c1nccc(N[C@@H]3CCCOC3)n1)CC2 ZINC000333185918 415578822 /nfs/dbraw/zinc/57/88/22/415578822.db2.gz UFQYXUSIXGROLQ-GFCCVEGCSA-N 0 0 300.366 1.284 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N(CCO)C1CCOCC1 ZINC000333236197 415590056 /nfs/dbraw/zinc/59/00/56/415590056.db2.gz ZDHZQXSIZNVBCF-DYEKYZERSA-N 0 0 303.424 0.978 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NCCN1CCSCC1)CCCC2 ZINC000333281324 415600345 /nfs/dbraw/zinc/60/03/45/415600345.db2.gz JPNMQMOFPPAXPM-UHFFFAOYSA-N 0 0 324.450 0.302 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(CC(F)F)CC1 ZINC000333456210 415655228 /nfs/dbraw/zinc/65/52/28/415655228.db2.gz YHMMSSFNXDKTAD-UHFFFAOYSA-N 0 0 302.329 0.696 10 0 DCAERN CC(C)(C)c1noc(OCC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000107421837 415665721 /nfs/dbraw/zinc/66/57/21/415665721.db2.gz XKRZXIHZCAEQEY-VIFPVBQESA-N 0 0 310.354 0.470 10 0 DCAERN CN1C(=O)CC[C@@H](Nc2ccnc(N3CCCCC3)n2)C1=O ZINC000333506659 415670944 /nfs/dbraw/zinc/67/09/44/415670944.db2.gz SUXWYNFJPATPJV-LLVKDONJSA-N 0 0 303.366 1.026 10 0 DCAERN C[C@@]1(F)CNCCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000333503451 415670984 /nfs/dbraw/zinc/67/09/84/415670984.db2.gz DNXKGPRFUFBOCS-DGCLKSJQSA-N 0 0 321.418 0.297 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NCC1(O)CCCCC1)CCCC2 ZINC000333522417 415673470 /nfs/dbraw/zinc/67/34/70/415673470.db2.gz HGCYGXQIUNVHMI-UHFFFAOYSA-N 0 0 307.394 0.948 10 0 DCAERN COc1ccc(C(=O)NCC(=O)Nc2cccn(C)c2=O)cc1 ZINC000115158558 415722956 /nfs/dbraw/zinc/72/29/56/415722956.db2.gz AYTLUMINLSFGOL-UHFFFAOYSA-N 0 0 315.329 0.762 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CC)CC1)CC2 ZINC000114977133 415723948 /nfs/dbraw/zinc/72/39/48/415723948.db2.gz SHLXAWDHWSJMKK-LBPRGKRZSA-N 0 0 306.414 0.502 10 0 DCAERN CCCc1cc(=O)n2nc(N3C[C@@H](OC)C[C@@H]3CO)sc2n1 ZINC000343750704 415708534 /nfs/dbraw/zinc/70/85/34/415708534.db2.gz ZVIDMGFSXLPFSM-MNOVXSKESA-N 0 0 324.406 0.690 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750739 415709198 /nfs/dbraw/zinc/70/91/98/415709198.db2.gz ABWGSZKCUFYYLX-STQMWFEESA-N 0 0 307.325 0.485 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000120355653 415764127 /nfs/dbraw/zinc/76/41/27/415764127.db2.gz RSJPUUOMOIUUGD-ONGXEEELSA-N 0 0 318.420 0.586 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120473754 415769531 /nfs/dbraw/zinc/76/95/31/415769531.db2.gz RUCRLOVFRZPHAH-GFCCVEGCSA-N 0 0 303.362 0.925 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCS1(=O)=O ZINC000122307245 415829578 /nfs/dbraw/zinc/82/95/78/415829578.db2.gz YGLAEHWHOTVDCQ-BXUZGUMPSA-N 0 0 322.386 0.825 10 0 DCAERN COc1ccccc1CN(CCO)C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000343929277 415785490 /nfs/dbraw/zinc/78/54/90/415785490.db2.gz ISDGFWVKPGTDSR-GJZGRUSLSA-N 0 0 322.405 0.735 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)C(F)(F)C2(O)CCC2)n1 ZINC000121006040 415788761 /nfs/dbraw/zinc/78/87/61/415788761.db2.gz XUSFEBWTVOBVJI-VIFPVBQESA-N 0 0 317.292 0.828 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1snnc1C(C)(C)C)[C@@H](C)O ZINC000334079875 415800629 /nfs/dbraw/zinc/80/06/29/415800629.db2.gz OSHRRMPRMXYMCV-RQJHMYQMSA-N 0 0 301.368 0.488 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000336810824 415819905 /nfs/dbraw/zinc/81/99/05/415819905.db2.gz JPTPWASHEKLBPA-DTWKUNHWSA-N 0 0 307.803 0.903 10 0 DCAERN NC(=O)Cn1cc(C(=O)NCc2ccn(C3CCCC3)n2)nn1 ZINC000126226577 415875600 /nfs/dbraw/zinc/87/56/00/415875600.db2.gz GBCJVWFNDRODJP-UHFFFAOYSA-N 0 0 317.353 0.005 10 0 DCAERN O=C(N[C@@H]1COc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000131307201 415928808 /nfs/dbraw/zinc/92/88/08/415928808.db2.gz UDQGWZVYKWQZEE-ZYHUDNBSSA-N 0 0 302.334 0.539 10 0 DCAERN Cc1nc(N2CCN(C(=O)CC(=O)N(C)C)CC2)sc1C ZINC000126679858 415877610 /nfs/dbraw/zinc/87/76/10/415877610.db2.gz XEVQLMPXCGBOBQ-UHFFFAOYSA-N 0 0 310.423 0.887 10 0 DCAERN CC1CCN(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000126960499 415882831 /nfs/dbraw/zinc/88/28/31/415882831.db2.gz HWHUGAKJXNHDER-UHFFFAOYSA-N 0 0 302.440 0.754 10 0 DCAERN CC[C@@H](CCO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000128049506 415895487 /nfs/dbraw/zinc/89/54/87/415895487.db2.gz QJAUJPOZCXCTIJ-NSHDSACASA-N 0 0 319.361 0.215 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1 ZINC000295961824 415904336 /nfs/dbraw/zinc/90/43/36/415904336.db2.gz JXMHEPHWPGGXAR-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN CCOC(=O)CN(C[C@@H](O)CN1CCCC1=O)C(C)(C)C ZINC000130810666 415922433 /nfs/dbraw/zinc/92/24/33/415922433.db2.gz SVUGQFJRHPZOEZ-LBPRGKRZSA-N 0 0 300.399 0.633 10 0 DCAERN CCOC(=O)CN(C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000130791040 415923601 /nfs/dbraw/zinc/92/36/01/415923601.db2.gz UDAWYCCJCYIKQZ-CYBMUJFWSA-N 0 0 302.415 0.343 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000124883560 415853450 /nfs/dbraw/zinc/85/34/50/415853450.db2.gz WZXRFTTYRWXMDN-ZETCQYMHSA-N 0 0 315.317 0.893 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000124946913 415855977 /nfs/dbraw/zinc/85/59/77/415855977.db2.gz DMLFNHSHMCLHEJ-UHFFFAOYSA-N 0 0 310.398 0.309 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)N1CCCC[C@H]1C ZINC000125325858 415863979 /nfs/dbraw/zinc/86/39/79/415863979.db2.gz OWPJFHDREZXTQG-FRRDWIJNSA-N 0 0 324.425 0.696 10 0 DCAERN O=C(N[C@H]1CCC[C@@H]1O)c1ccc(-n2cnnn2)cc1Cl ZINC000133190494 415943455 /nfs/dbraw/zinc/94/34/55/415943455.db2.gz CNGZJYOREUGAMK-RYUDHWBXSA-N 0 0 307.741 0.959 10 0 DCAERN O=C(Nc1cccc2cccnc21)C(=O)N1CCNC(=O)CC1 ZINC000133767643 415951552 /nfs/dbraw/zinc/95/15/52/415951552.db2.gz HZIYLAJLCWBWIE-UHFFFAOYSA-N 0 0 312.329 0.522 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2cccnn2)CC1 ZINC000134225175 415955808 /nfs/dbraw/zinc/95/58/08/415955808.db2.gz BDQGPXAKUJJUDT-LBPRGKRZSA-N 0 0 312.377 0.968 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)C2 ZINC000152175684 415965698 /nfs/dbraw/zinc/96/56/98/415965698.db2.gz KGMXFWVBCDZUSY-WCQYABFASA-N 0 0 302.330 0.528 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000152783429 415971816 /nfs/dbraw/zinc/97/18/16/415971816.db2.gz XIDBZUGROGKJKS-UONOGXRCSA-N 0 0 303.362 0.885 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000153354045 415978917 /nfs/dbraw/zinc/97/89/17/415978917.db2.gz AREGVAWBELEBBE-ZDUSSCGKSA-N 0 0 309.341 0.519 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000153453843 415981073 /nfs/dbraw/zinc/98/10/73/415981073.db2.gz CSQIFSMRQOZACF-LLVKDONJSA-N 0 0 317.324 0.795 10 0 DCAERN CCOC(=O)C[C@H](C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000153863442 415987917 /nfs/dbraw/zinc/98/79/17/415987917.db2.gz IBHKLLLCDRUMMU-QWRGUYRKSA-N 0 0 309.370 0.481 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCS1(=O)=O ZINC000155136827 415994279 /nfs/dbraw/zinc/99/42/79/415994279.db2.gz MKCSSOFCQXZTEL-KXNHARMFSA-N 0 0 316.423 0.628 10 0 DCAERN C[C@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C1CCOCC1 ZINC000155285408 415996867 /nfs/dbraw/zinc/99/68/67/415996867.db2.gz ZWWRRVPMGYBIFI-LBPRGKRZSA-N 0 0 320.393 0.658 10 0 DCAERN CC(=O)NCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000158556394 415999627 /nfs/dbraw/zinc/99/96/27/415999627.db2.gz RDQSJBCSGGZCNN-UHFFFAOYSA-N 0 0 307.325 0.818 10 0 DCAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H]1CNC(=O)C1 ZINC000171815571 416042511 /nfs/dbraw/zinc/04/25/11/416042511.db2.gz HMSAHANBDLHWHO-ZIAGYGMSSA-N 0 0 318.373 0.755 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172436308 416044901 /nfs/dbraw/zinc/04/49/01/416044901.db2.gz YJYVZSICKQEBDU-VXGBXAGGSA-N 0 0 318.439 0.608 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000172814801 416048407 /nfs/dbraw/zinc/04/84/07/416048407.db2.gz BYNSWMDGHYYTSB-CABCVRRESA-N 0 0 317.389 0.629 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000173027605 416050733 /nfs/dbraw/zinc/05/07/33/416050733.db2.gz XKXWIRANACRVIP-RYUDHWBXSA-N 0 0 318.439 0.717 10 0 DCAERN CC(C)COCCCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000172989911 416051284 /nfs/dbraw/zinc/05/12/84/416051284.db2.gz GFSWLURGPSTLJB-OLZOCXBDSA-N 0 0 308.444 0.993 10 0 DCAERN Cc1ccccc1CCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173083877 416051918 /nfs/dbraw/zinc/05/19/18/416051918.db2.gz BJOHKIMTYZUQDM-UHFFFAOYSA-N 0 0 301.346 0.964 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000173030844 416053110 /nfs/dbraw/zinc/05/31/10/416053110.db2.gz VPBQSPZEGZAJEX-INIZCTEOSA-N 0 0 302.330 0.505 10 0 DCAERN CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cnn(C)c1 ZINC000173176043 416054274 /nfs/dbraw/zinc/05/42/74/416054274.db2.gz KGNLZXQOLJOTDY-UHFFFAOYSA-N 0 0 313.317 0.086 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000173129659 416054748 /nfs/dbraw/zinc/05/47/48/416054748.db2.gz QEQSCVAORBLLFC-GWCFXTLKSA-N 0 0 303.362 0.772 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000173300940 416055769 /nfs/dbraw/zinc/05/57/69/416055769.db2.gz YIJABBKEWHTIJN-NSHDSACASA-N 0 0 303.428 0.011 10 0 DCAERN Cc1nc(SCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)n[nH]1 ZINC000173291849 416056146 /nfs/dbraw/zinc/05/61/46/416056146.db2.gz WVVZXLXXYKDVCL-NXEZZACHSA-N 0 0 313.427 0.119 10 0 DCAERN CC[C@@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173424274 416058664 /nfs/dbraw/zinc/05/86/64/416058664.db2.gz GNUJZAYTYYHTMP-NWDGAFQWSA-N 0 0 322.413 0.557 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000173478158 416059260 /nfs/dbraw/zinc/05/92/60/416059260.db2.gz PADMARHXQBZAKJ-SECBINFHSA-N 0 0 311.411 0.680 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000173503028 416060212 /nfs/dbraw/zinc/06/02/12/416060212.db2.gz VTAXAKUDTBYXBI-ZWNOBZJWSA-N 0 0 306.410 0.953 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173524784 416060639 /nfs/dbraw/zinc/06/06/39/416060639.db2.gz NJAAYEBTORSNMT-NWDGAFQWSA-N 0 0 307.354 0.024 10 0 DCAERN Cc1csc(=O)n1CCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173667424 416061686 /nfs/dbraw/zinc/06/16/86/416061686.db2.gz QFSAKEDSUGTUJW-LLVKDONJSA-N 0 0 309.395 0.718 10 0 DCAERN CCOC(=O)CN(C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000338233334 416062827 /nfs/dbraw/zinc/06/28/27/416062827.db2.gz ADMYKYLWKYUUHZ-NSHDSACASA-N 0 0 304.412 0.295 10 0 DCAERN CNC(=O)c1cccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000173763026 416064183 /nfs/dbraw/zinc/06/41/83/416064183.db2.gz RIUMKLSMWLUHFZ-OAHLLOKOSA-N 0 0 317.389 0.639 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000173827274 416065125 /nfs/dbraw/zinc/06/51/25/416065125.db2.gz JIEXDWWWGUOGLZ-KBPBESRZSA-N 0 0 322.413 0.345 10 0 DCAERN CCNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000357357052 416065388 /nfs/dbraw/zinc/06/53/88/416065388.db2.gz PNFRZHJJOYRYGG-CYBMUJFWSA-N 0 0 321.352 0.916 10 0 DCAERN O=C(NCCCn1cccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173783179 416065602 /nfs/dbraw/zinc/06/56/02/416065602.db2.gz XJOXNYKMTFSHCD-CQSZACIVSA-N 0 0 307.398 0.389 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173780571 416066047 /nfs/dbraw/zinc/06/60/47/416066047.db2.gz JBLJZSSQAWIHJF-CQSZACIVSA-N 0 0 318.377 0.724 10 0 DCAERN CCC[C@H](CCO)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000173826754 416066126 /nfs/dbraw/zinc/06/61/26/416066126.db2.gz UQZOKMOSCABFIZ-UONOGXRCSA-N 0 0 301.431 0.805 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173861704 416068782 /nfs/dbraw/zinc/06/87/82/416068782.db2.gz IQVBJQKWVVHXNO-LRDDRELGSA-N 0 0 320.437 0.759 10 0 DCAERN CCCc1cc(N2CC[C@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000173976731 416069569 /nfs/dbraw/zinc/06/95/69/416069569.db2.gz DNKIKXOJJYWLPT-AWEZNQCLSA-N 0 0 316.409 0.988 10 0 DCAERN NC(=O)[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173983428 416070130 /nfs/dbraw/zinc/07/01/30/416070130.db2.gz ATZVUVQQECVYIT-GJZGRUSLSA-N 0 0 307.369 0.759 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174007747 416071945 /nfs/dbraw/zinc/07/19/45/416071945.db2.gz KXEVACHNFDIKMJ-CYBMUJFWSA-N 0 0 318.377 0.262 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000174217338 416075314 /nfs/dbraw/zinc/07/53/14/416075314.db2.gz UCCVNVJOWRWNPW-SNVBAGLBSA-N 0 0 322.394 0.853 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1OC ZINC000158815760 416002972 /nfs/dbraw/zinc/00/29/72/416002972.db2.gz CYWYECKMZVSMRV-NXEZZACHSA-N 0 0 303.380 0.999 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)c1ccc(F)cc1F ZINC000158768337 416003130 /nfs/dbraw/zinc/00/31/30/416003130.db2.gz FFGXFIWLWXMDIE-TVYUQYBPSA-N 0 0 301.289 0.606 10 0 DCAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCNC(=O)CC1 ZINC000163030148 416015557 /nfs/dbraw/zinc/01/55/57/416015557.db2.gz BZYPNUYJWRXZBI-BNOWGMLFSA-N 0 0 307.394 0.866 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)ccc1F ZINC000166720721 416021620 /nfs/dbraw/zinc/02/16/20/416021620.db2.gz ASZHPHHBPANCJA-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCCOCCO)CC2=O)cc1 ZINC000170565831 416027959 /nfs/dbraw/zinc/02/79/59/416027959.db2.gz SPZXIXZGZPTMDO-ZDUSSCGKSA-N 0 0 306.362 0.473 10 0 DCAERN COC[C@@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O ZINC000170715401 416031084 /nfs/dbraw/zinc/03/10/84/416031084.db2.gz MJRBZHIZLFOFGT-BXUZGUMPSA-N 0 0 314.288 0.955 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)CCOCC)C1 ZINC000171110895 416036958 /nfs/dbraw/zinc/03/69/58/416036958.db2.gz SYRAQUVEDAQDJG-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171233991 416038663 /nfs/dbraw/zinc/03/86/63/416038663.db2.gz JANUJMDLYAFRPH-NSHDSACASA-N 0 0 315.395 0.594 10 0 DCAERN CN(CC(=O)N[C@H]1CCCOC1)S(=O)(=O)c1ccccc1 ZINC000171684461 416039590 /nfs/dbraw/zinc/03/95/90/416039590.db2.gz AOTALLUVXIZUKE-LBPRGKRZSA-N 0 0 312.391 0.602 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000174752789 416085759 /nfs/dbraw/zinc/08/57/59/416085759.db2.gz ZJIQPGKBAGTDRU-VIFPVBQESA-N 0 0 320.736 0.716 10 0 DCAERN CNC(=O)c1ccc(NC[C@H](CO)Cc2ccccn2)nn1 ZINC000301576679 416086956 /nfs/dbraw/zinc/08/69/56/416086956.db2.gz SVWUYRFWDYMECP-LLVKDONJSA-N 0 0 301.350 0.494 10 0 DCAERN CC(=O)N1CCN(C(=O)CCn2c(C)csc2=O)[C@H](C)C1 ZINC000357931066 416155505 /nfs/dbraw/zinc/15/55/05/416155505.db2.gz PEWYWTCSMATINW-SNVBAGLBSA-N 0 0 311.407 0.688 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174907513 416091347 /nfs/dbraw/zinc/09/13/47/416091347.db2.gz LUKAXOUMXHEXCQ-CHWSQXEVSA-N 0 0 315.439 0.465 10 0 DCAERN COCCN(C(=O)N[C@@H](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000357524862 416092363 /nfs/dbraw/zinc/09/23/63/416092363.db2.gz VPXCJMVILHSHCN-JQWIXIFHSA-N 0 0 304.412 0.630 10 0 DCAERN CNS(=O)(=O)CC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000175197168 416099538 /nfs/dbraw/zinc/09/95/38/416099538.db2.gz NGQOGTGOCVWEPT-LLVKDONJSA-N 0 0 311.407 0.276 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(N)=O ZINC000175444657 416105899 /nfs/dbraw/zinc/10/58/99/416105899.db2.gz LGEOCTXFGUVDPP-BXUZGUMPSA-N 0 0 305.378 0.823 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)CN2CCc3ccccc3C2=O)C1 ZINC000345513800 416108077 /nfs/dbraw/zinc/10/80/77/416108077.db2.gz DEYHAKYWZZNINL-KBPBESRZSA-N 0 0 318.373 0.293 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@@H]1CCCOCC1 ZINC000313263291 416108406 /nfs/dbraw/zinc/10/84/06/416108406.db2.gz ZETNAGWNEDUIDE-IJLUTSLNSA-N 0 0 305.396 0.817 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCNC(=O)C1CC1 ZINC000175581194 416110687 /nfs/dbraw/zinc/11/06/87/416110687.db2.gz VBUVBWWTFMHUQH-CQSZACIVSA-N 0 0 319.409 0.892 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)c1ccc(Cl)cn1 ZINC000175817729 416115278 /nfs/dbraw/zinc/11/52/78/416115278.db2.gz QXOJQAALQQYWID-UHFFFAOYSA-N 0 0 305.787 0.979 10 0 DCAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)NC[C@](C)(O)CO)cc1 ZINC000338626480 416117827 /nfs/dbraw/zinc/11/78/27/416117827.db2.gz NLUWLOBRASLHOF-DYVFJYSZSA-N 0 0 323.389 0.835 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000176080442 416118961 /nfs/dbraw/zinc/11/89/61/416118961.db2.gz ONXAPLYXOFLFHG-LLVKDONJSA-N 0 0 324.406 0.323 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)NCCS(=O)(=O)N(C)C)n1 ZINC000357736336 416123602 /nfs/dbraw/zinc/12/36/02/416123602.db2.gz CGXJMAHHGJQDCA-SECBINFHSA-N 0 0 320.440 0.703 10 0 DCAERN NC(=O)[C@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCO1 ZINC000328655804 416126176 /nfs/dbraw/zinc/12/61/76/416126176.db2.gz YSHBRTKVFCOAQU-GHMZBOCLSA-N 0 0 307.354 0.808 10 0 DCAERN COC[C@H](C)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000176400877 416126290 /nfs/dbraw/zinc/12/62/90/416126290.db2.gz NOGSOCOYNOMJBN-OLZOCXBDSA-N 0 0 309.414 0.971 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCC2CCC3(CC2)OCCO3)C1 ZINC000176505104 416127668 /nfs/dbraw/zinc/12/76/68/416127668.db2.gz BIFWYQLTLRZMIL-CQSZACIVSA-N 0 0 312.410 0.757 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1CCC(C)CC1 ZINC000176570296 416129630 /nfs/dbraw/zinc/12/96/30/416129630.db2.gz MRLJKGPJUFOYGT-NRFANRHFSA-N 0 0 313.427 0.761 10 0 DCAERN CN(C(=O)NC[C@@H](O)CN1CCOCC1)c1ccc(F)cc1 ZINC000176658420 416131835 /nfs/dbraw/zinc/13/18/35/416131835.db2.gz ZYOCSZMDCGYLJT-CQSZACIVSA-N 0 0 311.357 0.665 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357785932 416132847 /nfs/dbraw/zinc/13/28/47/416132847.db2.gz HTKFCBUBCXSAGH-RYUDHWBXSA-N 0 0 312.414 0.553 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@H](C)Cn2cccn2)[C@H](C)C1 ZINC000357804074 416135372 /nfs/dbraw/zinc/13/53/72/416135372.db2.gz YZLJVLRUJVMQLX-QWHCGFSZSA-N 0 0 307.398 0.781 10 0 DCAERN Nc1c(C(=O)NC[C@H](CO)C2CC2)cnn1-c1ccccn1 ZINC000357831774 416137719 /nfs/dbraw/zinc/13/77/19/416137719.db2.gz POKRUSQTFCRNEA-LLVKDONJSA-N 0 0 301.350 0.598 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000338789049 416138834 /nfs/dbraw/zinc/13/88/34/416138834.db2.gz QFXNCRMHBUFTAI-NWDGAFQWSA-N 0 0 323.393 0.782 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000177192762 416141887 /nfs/dbraw/zinc/14/18/87/416141887.db2.gz QYZYFXDDZAGRDY-ZIAGYGMSSA-N 0 0 319.409 0.973 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)n1 ZINC000177216828 416142333 /nfs/dbraw/zinc/14/23/33/416142333.db2.gz QVBLVWJUXZAQMC-ZDUSSCGKSA-N 0 0 317.397 0.884 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177399101 416143759 /nfs/dbraw/zinc/14/37/59/416143759.db2.gz ARBVQXLHHNCPTB-HUUCEWRRSA-N 0 0 321.425 0.778 10 0 DCAERN O=c1c2c(F)cccc2ncn1C[C@H](O)CN1CCOCC1 ZINC000177497626 416145434 /nfs/dbraw/zinc/14/54/34/416145434.db2.gz XLRXWJFNFSBDMZ-LLVKDONJSA-N 0 0 307.325 0.229 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 ZINC000177663115 416149791 /nfs/dbraw/zinc/14/97/91/416149791.db2.gz AXWQFHCHJGYRJF-MLGOLLRUSA-N 0 0 308.378 0.799 10 0 DCAERN CC(C)N1CCC[C@@H](N2CC[C@H](NS(C)(=O)=O)C2)C1=O ZINC000177734313 416151139 /nfs/dbraw/zinc/15/11/39/416151139.db2.gz QKEWIXCHTCEFFI-NWDGAFQWSA-N 0 0 303.428 0.009 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)[C@H](C)C1 ZINC000357911748 416151836 /nfs/dbraw/zinc/15/18/36/416151836.db2.gz NCSMSJUZAYWRGI-LLVKDONJSA-N 0 0 323.418 0.947 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000177796462 416153492 /nfs/dbraw/zinc/15/34/92/416153492.db2.gz DPVISPVFYVRIOY-UWVGGRQHSA-N 0 0 308.382 0.846 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000177932848 416153849 /nfs/dbraw/zinc/15/38/49/416153849.db2.gz FKEWNOGYBWVDGY-YPMHNXCESA-N 0 0 306.366 0.721 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)C2CCCCC2)[C@H](C)C1 ZINC000357923818 416154711 /nfs/dbraw/zinc/15/47/11/416154711.db2.gz DWDGXBGYTVOHSN-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329411449 416168311 /nfs/dbraw/zinc/16/83/11/416168311.db2.gz DGEORWWTDVFYIG-GRYCIOLGSA-N 0 0 311.382 0.446 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)C(C)C ZINC000178712003 416170278 /nfs/dbraw/zinc/17/02/78/416170278.db2.gz MNCCDDXGYYZVHA-INIZCTEOSA-N 0 0 315.373 0.888 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCS1(=O)=O ZINC000329429100 416170321 /nfs/dbraw/zinc/17/03/21/416170321.db2.gz JVXCFABIBSAPJH-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(C)C ZINC000178750098 416172566 /nfs/dbraw/zinc/17/25/66/416172566.db2.gz LTRQLMHHMDBPMN-VIFPVBQESA-N 0 0 320.802 0.366 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2ccccn2)C[C@H](C)O1 ZINC000178913670 416175631 /nfs/dbraw/zinc/17/56/31/416175631.db2.gz WPQTVPOZWUOXMQ-BETUJISGSA-N 0 0 313.423 0.958 10 0 DCAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000179514278 416189074 /nfs/dbraw/zinc/18/90/74/416189074.db2.gz IOBWAIXHEFJRRL-INIZCTEOSA-N 0 0 307.442 0.637 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179586182 416190804 /nfs/dbraw/zinc/19/08/04/416190804.db2.gz OMCZYEYIMBAYGQ-NSHDSACASA-N 0 0 306.366 0.791 10 0 DCAERN CCCCNC(=O)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180282117 416195102 /nfs/dbraw/zinc/19/51/02/416195102.db2.gz MSNHZFLCYZBEBG-UHFFFAOYSA-N 0 0 320.440 0.435 10 0 DCAERN CCCNC(=O)[C@@H](C)S(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180278923 416195744 /nfs/dbraw/zinc/19/57/44/416195744.db2.gz PPOQRDBBHUFYOE-MRVPVSSYSA-N 0 0 320.440 0.434 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc2ccccc2c1 ZINC000180273312 416195884 /nfs/dbraw/zinc/19/58/84/416195884.db2.gz KYMBLXGXBVRVCJ-OAHLLOKOSA-N 0 0 314.341 0.931 10 0 DCAERN Cn1nncc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000358123134 416196099 /nfs/dbraw/zinc/19/60/99/416196099.db2.gz NRMFBJDRGVZPCT-UHFFFAOYSA-N 0 0 315.333 0.395 10 0 DCAERN Cc1ccc2c(n1)OCCN2C(=O)Cn1nnnc1C(C)C ZINC000180486570 416196905 /nfs/dbraw/zinc/19/69/05/416196905.db2.gz WAZHMKDLGBLWGX-UHFFFAOYSA-N 0 0 302.338 0.926 10 0 DCAERN COCCCS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180972821 416202398 /nfs/dbraw/zinc/20/23/98/416202398.db2.gz PSAHZHHUIDZTEN-LBPRGKRZSA-N 0 0 302.400 0.356 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180976232 416203056 /nfs/dbraw/zinc/20/30/56/416203056.db2.gz UZBRMXILZYNRNG-CYBMUJFWSA-N 0 0 316.427 0.745 10 0 DCAERN CNC(=O)[C@H]1CN(c2cc(C)nc(-c3ccncc3)n2)CCO1 ZINC000181151830 416204131 /nfs/dbraw/zinc/20/41/31/416204131.db2.gz NSXVWSIDCUQZBD-CYBMUJFWSA-N 0 0 313.361 0.798 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)Cc2cn3ccccc3n2)cn1 ZINC000181328105 416205635 /nfs/dbraw/zinc/20/56/35/416205635.db2.gz SEMMDGFYYGKTKM-OAHLLOKOSA-N 0 0 324.388 0.783 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)COc2ccccc2)cn1 ZINC000181370084 416205912 /nfs/dbraw/zinc/20/59/12/416205912.db2.gz JOZNZPDOMCCCCL-HNNXBMFYSA-N 0 0 300.362 0.972 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CCC(Cn2ccnn2)CC1 ZINC000358184671 416207350 /nfs/dbraw/zinc/20/73/50/416207350.db2.gz HLKYJXVELZBJSS-UHFFFAOYSA-N 0 0 303.370 0.666 10 0 DCAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)O2 ZINC000181470042 416208748 /nfs/dbraw/zinc/20/87/48/416208748.db2.gz TYZVDIRJMIXPRQ-IQXANGCESA-N 0 0 312.410 0.755 10 0 DCAERN COc1cccc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000181538242 416209745 /nfs/dbraw/zinc/20/97/45/416209745.db2.gz IIKNGAPYMROTCZ-LLVKDONJSA-N 0 0 318.377 0.900 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccs2)cn1 ZINC000181692367 416212277 /nfs/dbraw/zinc/21/22/77/416212277.db2.gz XYLKUDHGJZYCDE-NSHDSACASA-N 0 0 312.420 0.817 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000182007446 416213568 /nfs/dbraw/zinc/21/35/68/416213568.db2.gz DSSLQFVKRHUNQD-ZIAGYGMSSA-N 0 0 321.425 0.365 10 0 DCAERN O=C(c1ccc[nH]c1=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181935021 416213975 /nfs/dbraw/zinc/21/39/75/416213975.db2.gz HEGLUVBFNAXEPJ-UHFFFAOYSA-N 0 0 316.361 0.996 10 0 DCAERN CC1(C)CN(C(=O)C(=O)NCC(F)F)C[C@]2(CCOC2)O1 ZINC000358232828 416215764 /nfs/dbraw/zinc/21/57/64/416215764.db2.gz ALPIVOYWXCHKER-ZDUSSCGKSA-N 0 0 306.309 0.164 10 0 DCAERN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H](CO)C1CC1 ZINC000358293365 416222600 /nfs/dbraw/zinc/22/26/00/416222600.db2.gz AINUUCMVYAYTQN-MCIONIFRSA-N 0 0 322.405 0.686 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182572643 416225723 /nfs/dbraw/zinc/22/57/23/416225723.db2.gz WSVOBCYXDUWCJI-SECBINFHSA-N 0 0 320.271 0.162 10 0 DCAERN CCc1cnccc1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000182559924 416226185 /nfs/dbraw/zinc/22/61/85/416226185.db2.gz USYILUZGWLAROI-ZBEGNZNMSA-N 0 0 316.361 0.752 10 0 DCAERN Cc1csc2ncc(C(=O)NC[C@H](CO)C3CC3)c(=O)n12 ZINC000358355173 416227691 /nfs/dbraw/zinc/22/76/91/416227691.db2.gz PYHZLPGEVABZKT-SNVBAGLBSA-N 0 0 307.375 0.813 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](CO)C1CC1 ZINC000358361137 416229030 /nfs/dbraw/zinc/22/90/30/416229030.db2.gz WHZIFSUFMFNISR-VXGBXAGGSA-N 0 0 300.424 0.823 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](CO)C1CC1 ZINC000358361136 416229640 /nfs/dbraw/zinc/22/96/40/416229640.db2.gz WHZIFSUFMFNISR-RYUDHWBXSA-N 0 0 300.424 0.823 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182829354 416230845 /nfs/dbraw/zinc/23/08/45/416230845.db2.gz BRFPNZYMEBCXRK-BLLLJJGKSA-N 0 0 324.377 0.532 10 0 DCAERN CN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000178204414 416159368 /nfs/dbraw/zinc/15/93/68/416159368.db2.gz FSSFNVBCKBVVJU-MRXNPFEDSA-N 0 0 302.422 0.629 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2ccn3ccnc3c2)C[C@H](C)O1 ZINC000178405033 416162718 /nfs/dbraw/zinc/16/27/18/416162718.db2.gz IJJJAXLVCYTHNN-TXEJJXNPSA-N 0 0 324.406 0.778 10 0 DCAERN Cc1ccnc2nc(C(=O)N[C@H]3Cc4ccccc4[C@H]3O)nn21 ZINC000178555213 416165557 /nfs/dbraw/zinc/16/55/57/416165557.db2.gz ZRLLZDJEPMGKSU-QWHCGFSZSA-N 0 0 309.329 0.821 10 0 DCAERN O=C(CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)N1CCOCC1 ZINC000183471504 416241217 /nfs/dbraw/zinc/24/12/17/416241217.db2.gz IGZQWPWGZIZLMA-CYBMUJFWSA-N 0 0 321.381 0.505 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCN1C[C@@H](C)O ZINC000185029712 416252428 /nfs/dbraw/zinc/25/24/28/416252428.db2.gz BDBBAQMWOOVEFH-BFHYXJOUSA-N 0 0 319.471 0.493 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NC1CCCC1 ZINC000185926521 416253753 /nfs/dbraw/zinc/25/37/53/416253753.db2.gz ZSHDGLQGVBKGJO-HNNXBMFYSA-N 0 0 310.398 0.485 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000358568704 416254781 /nfs/dbraw/zinc/25/47/81/416254781.db2.gz ZGRKZWWXVBREQE-UHFFFAOYSA-N 0 0 312.289 0.776 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCCC[C@]1(C)C(N)=O ZINC000185923973 416254787 /nfs/dbraw/zinc/25/47/87/416254787.db2.gz BELQESXWKNHIFD-OAHLLOKOSA-N 0 0 307.398 0.108 10 0 DCAERN C[C@@H](O)C[NH+]1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000189340529 416265959 /nfs/dbraw/zinc/26/59/59/416265959.db2.gz DCSUBZOXNYUIDI-CQSZACIVSA-N 0 0 315.421 0.981 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000358689355 416269073 /nfs/dbraw/zinc/26/90/73/416269073.db2.gz MGCSXSAJVAXMBO-OCCSQVGLSA-N 0 0 309.410 0.857 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)CN2CCCCC2=O)cn1 ZINC000190020186 416273096 /nfs/dbraw/zinc/27/30/96/416273096.db2.gz LOWDMGPZSGLJOE-SWLSCSKDSA-N 0 0 306.366 0.379 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000331159047 416275531 /nfs/dbraw/zinc/27/55/31/416275531.db2.gz JZDVCTNZEDRUNH-ZETCQYMHSA-N 0 0 320.296 1.355 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000190335066 416277513 /nfs/dbraw/zinc/27/75/13/416277513.db2.gz LNUCNRITAHDUIB-GHMZBOCLSA-N 0 0 312.414 0.353 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)NCC2(CO)CCC2)CC1 ZINC000183240155 416237851 /nfs/dbraw/zinc/23/78/51/416237851.db2.gz SAJFGFGAVXZDQW-UHFFFAOYSA-N 0 0 320.437 0.911 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NC[C@H](CO)C2CC2)CCC1 ZINC000359051294 416300716 /nfs/dbraw/zinc/30/07/16/416300716.db2.gz GDABTWIYUMQBPL-LLVKDONJSA-N 0 0 304.412 0.271 10 0 DCAERN CCOC(=O)CC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192216231 416301330 /nfs/dbraw/zinc/30/13/30/416301330.db2.gz ZBBHLBUXUFYUIM-CYBMUJFWSA-N 0 0 322.336 0.996 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1c[nH]c2cc(F)ccc12 ZINC000192889734 416311008 /nfs/dbraw/zinc/31/10/08/416311008.db2.gz WWSUBGIPFLNUMU-LBPRGKRZSA-N 0 0 321.352 0.730 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193030732 416313218 /nfs/dbraw/zinc/31/32/18/416313218.db2.gz HRWMTHJBZNDBGA-CYBMUJFWSA-N 0 0 318.377 0.764 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000193257358 416314414 /nfs/dbraw/zinc/31/44/14/416314414.db2.gz LAGMTYVCYKQBMX-SSDOTTSWSA-N 0 0 305.256 0.926 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000193750552 416318445 /nfs/dbraw/zinc/31/84/45/416318445.db2.gz SIPUHKRZPRDROJ-SNVBAGLBSA-N 0 0 314.411 0.687 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000193599292 416319337 /nfs/dbraw/zinc/31/93/37/416319337.db2.gz GCDVTWXYHBXBAE-JTQLQIEISA-N 0 0 312.757 0.560 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000190532573 416279443 /nfs/dbraw/zinc/27/94/43/416279443.db2.gz VSOYKEONCRJVNW-BDAKNGLRSA-N 0 0 324.406 0.804 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000190598098 416281090 /nfs/dbraw/zinc/28/10/90/416281090.db2.gz YBBVONJONKWQTB-CHWSQXEVSA-N 0 0 312.414 0.812 10 0 DCAERN CCN(CC)C(=O)CN1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000358854654 416285754 /nfs/dbraw/zinc/28/57/54/416285754.db2.gz PYDIMHNMJRTELP-OAHLLOKOSA-N 0 0 311.426 0.424 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H]3CCCC[C@H]3O)C2)C1=O ZINC000342154680 416287079 /nfs/dbraw/zinc/28/70/79/416287079.db2.gz IQJKBOKPEFNQQF-RWSFTLGLSA-N 0 0 309.366 0.080 10 0 DCAERN C[C@H]1CN(C(=O)CCC(=O)OC(C)(C)C)CCS1(=O)=O ZINC000331215853 416287872 /nfs/dbraw/zinc/28/78/72/416287872.db2.gz OQSCCDADJPIHLP-JTQLQIEISA-N 0 0 305.396 0.754 10 0 DCAERN CC(C)(O)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000191818286 416290885 /nfs/dbraw/zinc/29/08/85/416290885.db2.gz LXQUFRZKERGVHT-AWEZNQCLSA-N 0 0 322.405 0.341 10 0 DCAERN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cocn2)C1 ZINC000192008365 416295172 /nfs/dbraw/zinc/29/51/72/416295172.db2.gz XTXPQEBOGHJIFS-CYBMUJFWSA-N 0 0 317.411 0.547 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(Br)nn1C ZINC000192008717 416295253 /nfs/dbraw/zinc/29/52/53/416295253.db2.gz CDCGNNQQQOIPLI-SSDOTTSWSA-N 0 0 315.171 0.533 10 0 DCAERN CCN1CN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O ZINC000192067533 416298350 /nfs/dbraw/zinc/29/83/50/416298350.db2.gz CPAVQLSMOOPOQV-UHFFFAOYSA-N 0 0 300.322 0.921 10 0 DCAERN CCCCOCCNC(=O)C[S@@](=O)Cc1ccnc(C)n1 ZINC000359332254 416341817 /nfs/dbraw/zinc/34/18/17/416341817.db2.gz LIQBGJSEYFVJDX-NRFANRHFSA-N 0 0 313.423 0.967 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@H]1COCCN1CC(F)(F)F ZINC000359778796 416357950 /nfs/dbraw/zinc/35/79/50/416357950.db2.gz RIPBOKWPQVNHBE-GHMZBOCLSA-N 0 0 310.316 0.384 10 0 DCAERN CNc1ncnc2c1cnn2CC(=O)N(C)CC(F)(F)F ZINC000194431452 416323746 /nfs/dbraw/zinc/32/37/46/416323746.db2.gz ZJXPKVSSFHDXPR-UHFFFAOYSA-N 0 0 302.260 0.889 10 0 DCAERN CNc1ncnc2c1cnn2Cc1nnnn1-c1ccccc1 ZINC000194429975 416323805 /nfs/dbraw/zinc/32/38/05/416323805.db2.gz ALIAVPNGSOBCDR-UHFFFAOYSA-N 0 0 307.321 0.892 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](CO)C1CC1 ZINC000359822791 416360827 /nfs/dbraw/zinc/36/08/27/416360827.db2.gz NTXLBKJLDGWQNY-KBPBESRZSA-N 0 0 305.378 0.401 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCN3CCOC[C@@H]3C2)cnn1C ZINC000360313656 416385596 /nfs/dbraw/zinc/38/55/96/416385596.db2.gz LQSGWTHZKKTEGR-YPMHNXCESA-N 0 0 307.398 0.516 10 0 DCAERN COc1ccc(CNC(=O)CN2CC(=O)N(C)C2)cc1OC ZINC000360489832 416392620 /nfs/dbraw/zinc/39/26/20/416392620.db2.gz HOEWRFBGDLGFTE-UHFFFAOYSA-N 0 0 307.350 0.052 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1ccc2cc[nH]c2n1)[C@H](C)CO ZINC000360491995 416393094 /nfs/dbraw/zinc/39/30/94/416393094.db2.gz PETHHXZHHYJDQX-GHMZBOCLSA-N 0 0 306.366 0.836 10 0 DCAERN CO[C@](C)(CNC(=O)[C@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000360765002 416409332 /nfs/dbraw/zinc/40/93/32/416409332.db2.gz RDSYTGFFPKNHAX-HZPDHXFCSA-N 0 0 308.378 0.531 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000583619519 416480142 /nfs/dbraw/zinc/48/01/42/416480142.db2.gz BJLOWUIEWWFEOQ-QWHCGFSZSA-N 0 0 320.324 0.628 10 0 DCAERN CCOc1cccc(CCNC(=O)N2C[C@H](O)[C@@H](CO)C2)c1 ZINC000458562739 416481329 /nfs/dbraw/zinc/48/13/29/416481329.db2.gz DEFLGOVYKZIBLG-HIFRSBDPSA-N 0 0 308.378 0.622 10 0 DCAERN CC(C)CSCCCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458579804 416482404 /nfs/dbraw/zinc/48/24/04/416482404.db2.gz DXIYVSKACPPZTJ-GFCCVEGCSA-N 0 0 315.443 0.718 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000361205127 416425521 /nfs/dbraw/zinc/42/55/21/416425521.db2.gz PVCAXPSYWFCUJV-ZDEQEGDKSA-N 0 0 313.398 0.489 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000361204579 416425584 /nfs/dbraw/zinc/42/55/84/416425584.db2.gz GNZWSBQBDSEOQX-KCJUWKMLSA-N 0 0 309.288 0.316 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000361204581 416425603 /nfs/dbraw/zinc/42/56/03/416425603.db2.gz GNZWSBQBDSEOQX-LDYMZIIASA-N 0 0 309.288 0.316 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1Cc1cn(C(C)(C)C)nn1 ZINC000361575700 416452673 /nfs/dbraw/zinc/45/26/73/416452673.db2.gz CPOLXRXIZNRIOT-GFCCVEGCSA-N 0 0 315.443 0.547 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@@H](O)C(F)F)sc2n1 ZINC000435585460 416526998 /nfs/dbraw/zinc/52/69/98/416526998.db2.gz SBKMBUPVBQRFFZ-SSDOTTSWSA-N 0 0 304.322 1.141 10 0 DCAERN Cc1cnc(NC[C@@H](O)C(F)F)nc1NC[C@@H](O)C(F)F ZINC000435604235 416527032 /nfs/dbraw/zinc/52/70/32/416527032.db2.gz CKFSHADZJDELIB-RNFRBKRXSA-N 0 0 312.267 0.861 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C2CCCCC2)nn1C ZINC000361950444 416530192 /nfs/dbraw/zinc/53/01/92/416530192.db2.gz CWFLKLIMPNWCKU-MRXNPFEDSA-N 0 0 322.409 1.115 10 0 DCAERN CS(=O)(=O)NCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361982352 416540628 /nfs/dbraw/zinc/54/06/28/416540628.db2.gz DWMYVWVUFFOERT-CQSZACIVSA-N 0 0 314.407 0.315 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000458736256 416496680 /nfs/dbraw/zinc/49/66/80/416496680.db2.gz VHYGWUPVWUYDBO-HZSPNIEDSA-N 0 0 319.340 0.633 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccnc(OC(F)F)c2)CC(=O)N1 ZINC000458745006 416496833 /nfs/dbraw/zinc/49/68/33/416496833.db2.gz ADKCPWSWCKYBIA-MRVPVSSYSA-N 0 0 314.292 0.713 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CC1=O ZINC000534528883 416505086 /nfs/dbraw/zinc/50/50/86/416505086.db2.gz KTFDSMUOCLIFCH-CYBMUJFWSA-N 0 0 319.409 0.614 10 0 DCAERN C[C@@H](CO)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434941953 416505540 /nfs/dbraw/zinc/50/55/40/416505540.db2.gz GDZPYHGFQKYICU-SNVBAGLBSA-N 0 0 309.366 1.189 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CC[C@@H](O)C3)sc2C1 ZINC000434912269 416505862 /nfs/dbraw/zinc/50/58/62/416505862.db2.gz JLSGAVJDHYNSOC-DTWKUNHWSA-N 0 0 309.391 0.800 10 0 DCAERN C[C@@H](Oc1ccccc1F)C(=O)NCCn1cnccc1=O ZINC000585237997 416519906 /nfs/dbraw/zinc/51/99/06/416519906.db2.gz CQMHNLAKXAVQON-LLVKDONJSA-N 0 0 305.309 0.966 10 0 DCAERN Cc1cc(C(=O)N(C)Cc2nnnn2C)nn1[C@H](C)C1CC1 ZINC000540758936 416595313 /nfs/dbraw/zinc/59/53/13/416595313.db2.gz PWSWDKBPRKBZEG-SNVBAGLBSA-N 0 0 303.370 0.958 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000365244233 416601416 /nfs/dbraw/zinc/60/14/16/416601416.db2.gz CSICJNHHIIXVBP-LLVKDONJSA-N 0 0 316.365 1.520 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(N3CCCC3)ccn2)CCO1 ZINC000365702650 416606449 /nfs/dbraw/zinc/60/64/49/416606449.db2.gz JYIYITHHVNERBW-AWEZNQCLSA-N 0 0 318.377 0.269 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ccnc(C(C)C)n1 ZINC000362670680 416569169 /nfs/dbraw/zinc/56/91/69/416569169.db2.gz WOWBBQRADAMTHC-MNOVXSKESA-N 0 0 308.382 1.468 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N2CC(=O)N(C)C2)cc1 ZINC000538648598 416569925 /nfs/dbraw/zinc/56/99/25/416569925.db2.gz VGIUFUWGUHCGCA-UHFFFAOYSA-N 0 0 304.346 0.845 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)C(F)F)c1 ZINC000437028360 416579227 /nfs/dbraw/zinc/57/92/27/416579227.db2.gz AYNCISWWKHAPDA-VIFPVBQESA-N 0 0 306.240 0.515 10 0 DCAERN CCOC(=O)CN(C(=O)C(=O)Nc1cc(C)on1)C1CCC1 ZINC000613554202 416682083 /nfs/dbraw/zinc/68/20/83/416682083.db2.gz GXCVRCKCFXWCPC-UHFFFAOYSA-N 0 0 309.322 0.866 10 0 DCAERN O=C(NC1(c2ncon2)CCOCC1)c1cn2cccnc2n1 ZINC000514971102 416685193 /nfs/dbraw/zinc/68/51/93/416685193.db2.gz WARHWRWOMSEUBL-UHFFFAOYSA-N 0 0 314.305 0.548 10 0 DCAERN CN(CCCO)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000441893574 416683269 /nfs/dbraw/zinc/68/32/69/416683269.db2.gz GQRFPFDUJQQUMV-UHFFFAOYSA-N 0 0 311.357 0.508 10 0 DCAERN COC(C)(C)CN(C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543273302 416637694 /nfs/dbraw/zinc/63/76/94/416637694.db2.gz IFXSLCVCZLEYNV-UHFFFAOYSA-N 0 0 311.386 0.855 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000544257097 416653663 /nfs/dbraw/zinc/65/36/63/416653663.db2.gz IUHPSLWGBRRJOK-CHWSQXEVSA-N 0 0 302.440 0.944 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](OC)C[C@@H]2C)C1 ZINC000441133842 416662178 /nfs/dbraw/zinc/66/21/78/416662178.db2.gz NVFLLBUEZSKGFH-AVGNSLFASA-N 0 0 312.414 0.999 10 0 DCAERN COCc1nc2n(n1)C[C@H](N1C(=O)CN(C3CCC3)C1=O)CC2 ZINC000514771679 416675121 /nfs/dbraw/zinc/67/51/21/416675121.db2.gz QDVFTHUTHMGYNC-LLVKDONJSA-N 0 0 319.365 0.556 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC(n2ccnn2)C1 ZINC000369271284 416744292 /nfs/dbraw/zinc/74/42/92/416744292.db2.gz PTQALLBZKCODHH-MRVPVSSYSA-N 0 0 320.382 0.164 10 0 DCAERN COC[C@@H](C)NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000516880066 416750595 /nfs/dbraw/zinc/75/05/95/416750595.db2.gz KSIDBOFRRIHQKK-JHJVBQTASA-N 0 0 300.399 0.888 10 0 DCAERN COc1cccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442054660 416686027 /nfs/dbraw/zinc/68/60/27/416686027.db2.gz JRAMMCLBZTZZCR-GFCCVEGCSA-N 0 0 324.402 0.960 10 0 DCAERN O=S(=O)(c1c(F)cccc1F)N1CCN2CCOC[C@H]2C1 ZINC000368698955 416686400 /nfs/dbraw/zinc/68/64/00/416686400.db2.gz VIZDSOLDCAZMQZ-SNVBAGLBSA-N 0 0 318.345 0.670 10 0 DCAERN FC(F)(F)Cn1ccnc1CN1CCN2CCOC[C@H]2C1 ZINC000368813840 416695102 /nfs/dbraw/zinc/69/51/02/416695102.db2.gz LKHBIWRSLJKFQI-LLVKDONJSA-N 0 0 304.316 0.962 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000368815442 416695134 /nfs/dbraw/zinc/69/51/34/416695134.db2.gz COQMGJPRSIZTIY-CYBMUJFWSA-N 0 0 309.435 0.689 10 0 DCAERN CN(CCCO)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000442996612 416724949 /nfs/dbraw/zinc/72/49/49/416724949.db2.gz XARQHZRZXQVFMW-OAHLLOKOSA-N 0 0 305.334 0.196 10 0 DCAERN CN(CCCO)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000443089236 416730855 /nfs/dbraw/zinc/73/08/55/416730855.db2.gz CMFJTADYNFLLRC-UHFFFAOYSA-N 0 0 313.335 0.044 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2nccn2c1)[C@H]1CCOC1 ZINC000557379269 416733425 /nfs/dbraw/zinc/73/34/25/416733425.db2.gz ZVBOWTRYRJOXTO-MNOVXSKESA-N 0 0 302.334 0.814 10 0 DCAERN O=C(Nc1nc(C2CC2)cs1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000557467609 416736176 /nfs/dbraw/zinc/73/61/76/416736176.db2.gz BAKIGYLFCXJVBB-AOOOYVTPSA-N 0 0 323.374 0.585 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2ccccn2)n1 ZINC000558093685 416758253 /nfs/dbraw/zinc/75/82/53/416758253.db2.gz WHRPOLZCPSLSFI-CQSZACIVSA-N 0 0 313.361 0.795 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC(CN3CCOCC3)C2)C1 ZINC000615144765 416771952 /nfs/dbraw/zinc/77/19/52/416771952.db2.gz CXGXTZOOIYVFGS-MRXNPFEDSA-N 0 0 309.410 0.036 10 0 DCAERN Cn1nc2c(cc1=O)CN(C(=O)NCCOCC1CCC1)CC2 ZINC000558657916 416786317 /nfs/dbraw/zinc/78/63/17/416786317.db2.gz RIWPWZKEQMBRSC-UHFFFAOYSA-N 0 0 320.393 0.665 10 0 DCAERN O=C(CNC(=O)C1CC1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558922602 416799199 /nfs/dbraw/zinc/79/91/99/416799199.db2.gz FJUOCSJMAUDOOZ-TZMCWYRMSA-N 0 0 310.394 0.197 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000369614882 416806171 /nfs/dbraw/zinc/80/61/71/416806171.db2.gz HTRUEKYJPCDMCA-GLQYFDAESA-N 0 0 308.378 0.309 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCC(=O)NC2CCCCC2)C1 ZINC000369974801 416858997 /nfs/dbraw/zinc/85/89/97/416858997.db2.gz GAUJQJPVGYBZPK-INIZCTEOSA-N 0 0 309.410 0.810 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000369975664 416859507 /nfs/dbraw/zinc/85/95/07/416859507.db2.gz IXTFNBQEGAFKJX-DOTOQJQBSA-N 0 0 304.390 0.965 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000369975669 416861592 /nfs/dbraw/zinc/86/15/92/416861592.db2.gz IXTFNBQEGAFKJX-RDJZCZTQSA-N 0 0 304.390 0.965 10 0 DCAERN CCO[C@H]1C[C@@](NCCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749488 416864269 /nfs/dbraw/zinc/86/42/69/416864269.db2.gz WGYCDPQUQPLGHP-XJKSGUPXSA-N 0 0 314.426 0.655 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1CCc2ccccc2OC1 ZINC000370016812 416866641 /nfs/dbraw/zinc/86/66/41/416866641.db2.gz CPTNTGKKQWTEBF-ZDUSSCGKSA-N 0 0 304.346 0.355 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000370118015 416882028 /nfs/dbraw/zinc/88/20/28/416882028.db2.gz ZJLCESLEHQOOGG-QWHCGFSZSA-N 0 0 322.413 0.414 10 0 DCAERN CCOC(C)(C)CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000445130063 416884953 /nfs/dbraw/zinc/88/49/53/416884953.db2.gz AWKUSZCQIDGBTM-UHFFFAOYSA-N 0 0 311.386 0.903 10 0 DCAERN C[C@H](C(=O)N1CC(O)(CO)C1)n1ccc2ccccc2c1=O ZINC000615432805 416833406 /nfs/dbraw/zinc/83/34/06/416833406.db2.gz ABVVJVSOCZPALG-LLVKDONJSA-N 0 0 302.330 0.128 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@@H](F)C[C@@H]3CO)cnc12 ZINC000444565165 416847321 /nfs/dbraw/zinc/84/73/21/416847321.db2.gz AXBXCGKLNNHCRR-WDEREUQCSA-N 0 0 305.309 0.548 10 0 DCAERN COC(=O)[C@H](NCc1ccc(S(N)(=O)=O)cc1C)C1CC1 ZINC000447043241 416961636 /nfs/dbraw/zinc/96/16/36/416961636.db2.gz YDJZHNVNWCYSSO-CYBMUJFWSA-N 0 0 312.391 0.684 10 0 DCAERN CC(=O)c1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000429524735 287337773 /nfs/dbraw/zinc/33/77/73/287337773.db2.gz ALYAQIUSTRHYSR-UHFFFAOYSA-N 0 0 301.302 0.539 10 0 DCAERN CC1CCC(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000632143315 416928786 /nfs/dbraw/zinc/92/87/86/416928786.db2.gz SQLCSZDPEIEYGM-ILDUYXDCSA-N 0 0 310.441 0.258 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446526304 416932377 /nfs/dbraw/zinc/93/23/77/416932377.db2.gz IIRYNUIBRZKTLA-VIFPVBQESA-N 0 0 307.276 0.459 10 0 DCAERN COc1cc(C)c(C(=O)NCCS(N)(=O)=O)cc1OC ZINC000446752704 416945578 /nfs/dbraw/zinc/94/55/78/416945578.db2.gz PXRFNSBTHJYQOG-UHFFFAOYSA-N 0 0 302.352 0.031 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)N(C)CC2CC2)C1 ZINC000447386195 416995588 /nfs/dbraw/zinc/99/55/88/416995588.db2.gz QEXLIGAOHQWWFT-HUUCEWRRSA-N 0 0 314.426 0.201 10 0 DCAERN COc1ccc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 ZINC000447902071 417037257 /nfs/dbraw/zinc/03/72/57/417037257.db2.gz IYTUAMCSBRGZCG-KRWDZBQOSA-N 0 0 316.357 0.924 10 0 DCAERN CO[C@H]1CCN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC1(C)C ZINC000632410463 417071495 /nfs/dbraw/zinc/07/14/95/417071495.db2.gz FJCGLCACEQLPMR-STQMWFEESA-N 0 0 320.455 0.394 10 0 DCAERN CN1C[C@@H](NC(=O)Nc2cccc(N3CCOCC3)c2)CC1=O ZINC000523420067 417080154 /nfs/dbraw/zinc/08/01/54/417080154.db2.gz BRBQHDJFYISQAV-ZDUSSCGKSA-N 0 0 318.377 0.875 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCC[C@@H](S(N)(=O)=O)C1 ZINC000616628426 417083009 /nfs/dbraw/zinc/08/30/09/417083009.db2.gz LDRCOPRHWUKDSR-LLVKDONJSA-N 0 0 321.443 0.654 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000624689546 417083725 /nfs/dbraw/zinc/08/37/25/417083725.db2.gz UDUMZKXJDNBCFI-GJZGRUSLSA-N 0 0 309.410 0.321 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616648805 417085907 /nfs/dbraw/zinc/08/59/07/417085907.db2.gz YEUCQCHEPKUJNB-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1COCCN1S(C)(=O)=O ZINC000616642798 417086160 /nfs/dbraw/zinc/08/61/60/417086160.db2.gz XIPUPOYIGHDGAH-SNVBAGLBSA-N 0 0 308.400 0.562 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CN(S(C)(=O)=O)CCN1 ZINC000616635379 417086382 /nfs/dbraw/zinc/08/63/82/417086382.db2.gz RTODBKOPNUAUMJ-SNVBAGLBSA-N 0 0 307.416 0.135 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616648791 417088262 /nfs/dbraw/zinc/08/82/62/417088262.db2.gz XWYCHLZJLXFJST-GFCCVEGCSA-N 0 0 308.363 0.597 10 0 DCAERN Cc1nn(C)cc1CC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000448635302 417090245 /nfs/dbraw/zinc/09/02/45/417090245.db2.gz YYLNRJMNSYQADD-OAHLLOKOSA-N 0 0 308.426 0.744 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](S(C)(=O)=O)CC1 ZINC000616666304 417091004 /nfs/dbraw/zinc/09/10/04/417091004.db2.gz NGNDBRGTIRSZTI-NSHDSACASA-N 0 0 322.427 0.604 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3cccnc3c2)C1 ZINC000616663900 417091213 /nfs/dbraw/zinc/09/12/13/417091213.db2.gz QZARADZXMMNOTK-CYBMUJFWSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616666673 417094790 /nfs/dbraw/zinc/09/47/90/417094790.db2.gz QHHJJKGUGRWZNQ-LLVKDONJSA-N 0 0 322.427 0.952 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC000404195081 417117744 /nfs/dbraw/zinc/11/77/44/417117744.db2.gz HUNJAXPYMAQAJJ-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408017175 417132154 /nfs/dbraw/zinc/13/21/54/417132154.db2.gz PUNWJRSXFFSGPR-STQMWFEESA-N 0 0 305.444 0.224 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408084529 417141546 /nfs/dbraw/zinc/14/15/46/417141546.db2.gz RAVNYPGXBKMTSQ-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCNC1=O ZINC000616965837 417142613 /nfs/dbraw/zinc/14/26/13/417142613.db2.gz CKIWCAHKNDHQOR-MRVPVSSYSA-N 0 0 300.156 0.889 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)N(C)C2(C(N)=O)CCCC2)CCO1 ZINC000408191228 417146418 /nfs/dbraw/zinc/14/64/18/417146418.db2.gz DWJLSOVKGKFNGM-QWRGUYRKSA-N 0 0 304.412 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CCS1(=O)=O ZINC000408236673 417148425 /nfs/dbraw/zinc/14/84/25/417148425.db2.gz PWJATHZGBHOZNL-KOLCDFICSA-N 0 0 312.395 0.096 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](O)[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000408378990 417159980 /nfs/dbraw/zinc/15/99/80/417159980.db2.gz YCPMNCIAQBOAMS-JOYOIKCWSA-N 0 0 312.391 0.485 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000526057321 417178697 /nfs/dbraw/zinc/17/86/97/417178697.db2.gz OTQLJVBYCSPMDJ-JKSUJKDBSA-N 0 0 315.373 0.640 10 0 DCAERN CC1=CCN(CCNC(=O)NCC2(S(C)(=O)=O)CC2)CC1 ZINC000526974877 417193872 /nfs/dbraw/zinc/19/38/72/417193872.db2.gz YNFFODCTHZHAKN-UHFFFAOYSA-N 0 0 315.439 0.515 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)C1CCC1 ZINC000617299383 417197508 /nfs/dbraw/zinc/19/75/08/417197508.db2.gz HNSNXPLQPLBJFS-RYUDHWBXSA-N 0 0 304.412 0.078 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632672060 417221691 /nfs/dbraw/zinc/22/16/91/417221691.db2.gz ZJJHZZFAOLMJHS-LPEHRKFASA-N 0 0 317.329 0.598 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632671589 417221733 /nfs/dbraw/zinc/22/17/33/417221733.db2.gz PPHGSLKHTIDEIS-DTWKUNHWSA-N 0 0 305.318 0.455 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000632916219 417294258 /nfs/dbraw/zinc/29/42/58/417294258.db2.gz WKXDPTUTURGFEL-KKUMJFAQSA-N 0 0 324.421 0.681 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCC(C)C)CC12COC2 ZINC000451621018 417365720 /nfs/dbraw/zinc/36/57/20/417365720.db2.gz TVHNTZHFTXVQOF-LBPRGKRZSA-N 0 0 319.423 0.874 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCOC[C@H]2CC2CCC2)nn1 ZINC000452164018 417457197 /nfs/dbraw/zinc/45/71/97/417457197.db2.gz DFDWJMGTPQQHHN-CYBMUJFWSA-N 0 0 306.366 0.898 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(OCC)no2)CC12COC2 ZINC000452228260 417460899 /nfs/dbraw/zinc/46/08/99/417460899.db2.gz VDANKAAJSHXQNN-SNVBAGLBSA-N 0 0 324.333 0.725 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCO[C@@H](C)C2)CC12COC2 ZINC000452269903 417464910 /nfs/dbraw/zinc/46/49/10/417464910.db2.gz YHVDZJADMAEXGX-AVGNSLFASA-N 0 0 311.378 0.840 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCC(C)(C)CO)c1 ZINC000452434989 417483381 /nfs/dbraw/zinc/48/33/81/417483381.db2.gz ZRKHGPAYNWGXPS-UHFFFAOYSA-N 0 0 314.407 0.733 10 0 DCAERN CCN1C[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2F)CC1=O ZINC000453924587 417538105 /nfs/dbraw/zinc/53/81/05/417538105.db2.gz IISBJQIKKLLPSS-VIFPVBQESA-N 0 0 323.324 0.510 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000627775295 417502229 /nfs/dbraw/zinc/50/22/29/417502229.db2.gz FZQSGQWJFOHEDB-KGLIPLIRSA-N 0 0 320.345 0.484 10 0 DCAERN CC(=O)N1CCN(C(=O)CNc2c3c(ccc2F)OCO3)CC1 ZINC000634571717 417519447 /nfs/dbraw/zinc/51/94/47/417519447.db2.gz YOTIHOYSHMTIGQ-UHFFFAOYSA-N 0 0 323.324 0.657 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000453738169 417527950 /nfs/dbraw/zinc/52/79/50/417527950.db2.gz MKYUGEMVOORNHP-NEPJUHHUSA-N 0 0 321.377 0.957 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)on1 ZINC000576182195 417588321 /nfs/dbraw/zinc/58/83/21/417588321.db2.gz XIOSOKREBRUTTL-GHMZBOCLSA-N 0 0 315.395 0.743 10 0 DCAERN C[C@]1(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC(=O)N1 ZINC000455643557 417613269 /nfs/dbraw/zinc/61/32/69/417613269.db2.gz YZHGSWHGUMCUQR-NEPJUHHUSA-N 0 0 323.315 0.754 10 0 DCAERN C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440056737 287393305 /nfs/dbraw/zinc/39/33/05/287393305.db2.gz YGMUCSZXFIBGHJ-NSHDSACASA-N 0 0 319.361 0.497 10 0 DCAERN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)[C@@H](C)O ZINC000456189258 417631596 /nfs/dbraw/zinc/63/15/96/417631596.db2.gz KDWKQUDGEIBDPB-BXKDBHETSA-N 0 0 300.380 0.484 10 0 DCAERN CC(=O)CCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628726409 417683662 /nfs/dbraw/zinc/68/36/62/417683662.db2.gz GECAWIDYLRLGKB-NSHDSACASA-N 0 0 302.338 0.188 10 0 DCAERN COC(=O)CN(C[C@H](O)COC[C@@H]1CCCO1)C1CCCC1 ZINC000531888873 417648749 /nfs/dbraw/zinc/64/87/49/417648749.db2.gz CXMHWYQJDHJAAO-GJZGRUSLSA-N 0 0 315.410 0.961 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccccn2)CC12COC2 ZINC000457389645 417706971 /nfs/dbraw/zinc/70/69/71/417706971.db2.gz RFDMMWSQZQDWLU-CYBMUJFWSA-N 0 0 319.361 0.803 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)C2 ZINC000458127689 417722780 /nfs/dbraw/zinc/72/27/80/417722780.db2.gz DAMNVEFWTCHBSP-DZGCQCFKSA-N 0 0 316.361 0.376 10 0 DCAERN O=C(COc1ccc(Cl)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458135545 417723639 /nfs/dbraw/zinc/72/36/39/417723639.db2.gz WPSSDBQTALQODL-LLVKDONJSA-N 0 0 310.741 0.488 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C1(Cc2ccccc2F)CC1 ZINC000458149939 417725195 /nfs/dbraw/zinc/72/51/95/417725195.db2.gz VDPNWWKTAFIUCK-CYBMUJFWSA-N 0 0 318.352 0.917 10 0 DCAERN O[C@@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@H]1n1ccnn1 ZINC000631397727 417871559 /nfs/dbraw/zinc/87/15/59/417871559.db2.gz RBLRXYAJFXXXAG-CHWSQXEVSA-N 0 0 315.381 0.481 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccnn2-c2ccccn2)CCO1 ZINC000648022765 418088263 /nfs/dbraw/zinc/08/82/63/418088263.db2.gz YLQWGKBFLCQNTC-ZDUSSCGKSA-N 0 0 301.350 0.214 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408019650 287435524 /nfs/dbraw/zinc/43/55/24/287435524.db2.gz YGMNVHFJRUCZHS-GXTWGEPZSA-N 0 0 318.439 0.710 10 0 DCAERN COc1ccc(NC(=O)N2C[C@@H](OC)[C@H](c3cn[nH]n3)C2)cn1 ZINC000664381305 418121257 /nfs/dbraw/zinc/12/12/57/418121257.db2.gz VFNMCLXYUZKCJQ-CMPLNLGQSA-N 0 0 318.337 0.855 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000660012569 418217733 /nfs/dbraw/zinc/21/77/33/418217733.db2.gz MPRVUTJXDWSPKQ-XJFOESAGSA-N 0 0 303.424 0.425 10 0 DCAERN CNC(=O)[C@H](NC(=O)C[C@H]1c2ccccc2NC1=O)C(C)C ZINC000178697656 545895838 /nfs/dbraw/zinc/89/58/38/545895838.db2.gz UTSXOMAQHGXBQQ-SMDDNHRTSA-N 0 0 303.362 0.999 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CSCC(C)=O)CC12COC2 ZINC000452611248 287482342 /nfs/dbraw/zinc/48/23/42/287482342.db2.gz HIHAYJQTPWHVBD-LLVKDONJSA-N 0 0 315.391 0.347 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccco1 ZINC000487095972 287531910 /nfs/dbraw/zinc/53/19/10/287531910.db2.gz MJKIQXMEUXEOMN-GHMZBOCLSA-N 0 0 310.350 0.785 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccoc1 ZINC000487137568 287533032 /nfs/dbraw/zinc/53/30/32/287533032.db2.gz LTUGTCFVNQKDCN-MNOVXSKESA-N 0 0 310.350 0.785 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccnc1 ZINC000488252855 287547499 /nfs/dbraw/zinc/54/74/99/287547499.db2.gz UJAJXBNAKYKMRC-MNOVXSKESA-N 0 0 307.350 0.197 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc3C2)CCO1 ZINC000299568457 229218114 /nfs/dbraw/zinc/21/81/14/229218114.db2.gz NVZAWQKZRSFZFN-KGLIPLIRSA-N 0 0 303.362 0.440 10 0 DCAERN C[C@H](C(N)=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000301960112 230005202 /nfs/dbraw/zinc/00/52/02/230005202.db2.gz MBPUVYFXKASMCI-MRVPVSSYSA-N 0 0 303.288 0.491 10 0 DCAERN C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccn1 ZINC000028930292 261105068 /nfs/dbraw/zinc/10/50/68/261105068.db2.gz OJEMFMGKPHLIME-LLVKDONJSA-N 0 0 324.340 0.962 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)n1 ZINC000142117146 261109472 /nfs/dbraw/zinc/10/94/72/261109472.db2.gz RNSZYKXFDNLALO-QMMMGPOBSA-N 0 0 316.383 0.022 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCC(=O)NCC1CC1)C(C)C ZINC000179850601 261113574 /nfs/dbraw/zinc/11/35/74/261113574.db2.gz QPYRJFQJCJCPCC-OAHLLOKOSA-N 0 0 311.426 0.816 10 0 DCAERN CC(C)c1csc(NC(=O)N2CCN(C(=O)CO)CC2)n1 ZINC000179697985 261113734 /nfs/dbraw/zinc/11/37/34/261113734.db2.gz YGYLUUJCPZTSNN-UHFFFAOYSA-N 0 0 312.395 0.935 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCCN2CCOCC2)ccc1C ZINC000180471877 261114192 /nfs/dbraw/zinc/11/41/92/261114192.db2.gz XHPOIQCRXTVJEU-UHFFFAOYSA-N 0 0 319.405 0.944 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185003442 261119025 /nfs/dbraw/zinc/11/90/25/261119025.db2.gz IQSDSFLVGVIKBX-SNVBAGLBSA-N 0 0 312.395 0.940 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)CCCCOC ZINC000187983718 261126031 /nfs/dbraw/zinc/12/60/31/261126031.db2.gz YIPFWXGKFBTQCL-SECBINFHSA-N 0 0 307.334 0.988 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](CO)Cc1ccc(C)cc1)C(C)C ZINC000188366631 261126849 /nfs/dbraw/zinc/12/68/49/261126849.db2.gz DGPOABWVNSJZMU-HUUCEWRRSA-N 0 0 321.421 0.968 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cnns1 ZINC000189569143 261132869 /nfs/dbraw/zinc/13/28/69/261132869.db2.gz BZBFWUVVBCVOOC-UHFFFAOYSA-N 0 0 303.303 0.180 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190456436 261134461 /nfs/dbraw/zinc/13/44/61/261134461.db2.gz UXENIUCGZZSNFA-OAHLLOKOSA-N 0 0 303.362 0.601 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)C1 ZINC000190512613 261134524 /nfs/dbraw/zinc/13/45/24/261134524.db2.gz XPUYKJIYKZBQHP-JTQLQIEISA-N 0 0 304.350 0.544 10 0 DCAERN CC(=O)NC1CN(C(=O)CNC(=O)c2ccc(F)cc2F)C1 ZINC000191480287 261137058 /nfs/dbraw/zinc/13/70/58/261137058.db2.gz MIWRRPQFRNRVSV-UHFFFAOYSA-N 0 0 311.288 0.042 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000192470443 261138080 /nfs/dbraw/zinc/13/80/80/261138080.db2.gz REJQOYMJZVYYGS-NEPJUHHUSA-N 0 0 304.412 0.153 10 0 DCAERN CN1CC[C@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000193004983 261141006 /nfs/dbraw/zinc/14/10/06/261141006.db2.gz CXDLSLLADHREGH-NSHDSACASA-N 0 0 300.318 0.453 10 0 DCAERN COCCn1cc(NC(=O)C(=O)NCCc2ccsc2)cn1 ZINC000193605141 261143231 /nfs/dbraw/zinc/14/32/31/261143231.db2.gz YMWOVPLRYXRHFQ-UHFFFAOYSA-N 0 0 322.390 0.888 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000194609862 261146973 /nfs/dbraw/zinc/14/69/73/261146973.db2.gz XVDOUBGZKFNICE-AAEUAGOBSA-N 0 0 306.366 0.268 10 0 DCAERN O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194861045 261148902 /nfs/dbraw/zinc/14/89/02/261148902.db2.gz UCMUOHYAEDBQBM-RYUDHWBXSA-N 0 0 323.418 0.374 10 0 DCAERN CCCNC(=O)c1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000194807072 261148911 /nfs/dbraw/zinc/14/89/11/261148911.db2.gz LFYXQBNUSGNLSH-CYBMUJFWSA-N 0 0 303.362 0.579 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H](OC)C1 ZINC000234743430 261155096 /nfs/dbraw/zinc/15/50/96/261155096.db2.gz ZDGRJRXPRIGNQV-IJLUTSLNSA-N 0 0 305.396 0.769 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC000238152171 261164740 /nfs/dbraw/zinc/16/47/40/261164740.db2.gz GMKKUHFQVSJQGV-UTUOFQBUSA-N 0 0 316.398 0.490 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC([C@H](C)O)CC3)nc2n1 ZINC000318487084 261176739 /nfs/dbraw/zinc/17/67/39/261176739.db2.gz CHDUPVHLFQGRGU-NSHDSACASA-N 0 0 303.366 0.974 10 0 DCAERN NS(=O)(=O)CCCCNC(=O)CCc1ccccc1O ZINC000355966677 261379826 /nfs/dbraw/zinc/37/98/26/261379826.db2.gz UMVWPCGZQWKQSP-UHFFFAOYSA-N 0 0 300.380 0.510 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)n(C)c1 ZINC000358031205 261617270 /nfs/dbraw/zinc/61/72/70/261617270.db2.gz UJPIIURIJYNWAS-NSHDSACASA-N 0 0 313.379 0.121 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CCC12CCCC2 ZINC000358105078 261631373 /nfs/dbraw/zinc/63/13/73/261631373.db2.gz DQLQHKLLYXNNPT-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN C[C@@H](C(=O)NC[C@@H](CO)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000358364390 261662067 /nfs/dbraw/zinc/66/20/67/261662067.db2.gz YSYUKKQOMHNACA-JQWIXIFHSA-N 0 0 323.393 0.374 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(C(C)=O)C[C@@H]1C)C1CCCC1 ZINC000358690960 261693996 /nfs/dbraw/zinc/69/39/96/261693996.db2.gz OSNXGZALWOCMEM-XHDPSFHLSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)[C@@H](C)C1 ZINC000359085360 261722034 /nfs/dbraw/zinc/72/20/34/261722034.db2.gz SSEXALSCCZPCFQ-NEPJUHHUSA-N 0 0 313.398 0.836 10 0 DCAERN C[C@@H](c1ccccc1)[C@@H](NC(=O)COc1cnn(C)c1)C(N)=O ZINC000359242640 261730856 /nfs/dbraw/zinc/73/08/56/261730856.db2.gz KFDREJJCCXIRNV-XHDPSFHLSA-N 0 0 316.361 0.573 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000359719173 261762331 /nfs/dbraw/zinc/76/23/31/261762331.db2.gz WVPWJLNIDPLOLS-MFKMUULPSA-N 0 0 319.361 0.798 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000360205424 261808825 /nfs/dbraw/zinc/80/88/25/261808825.db2.gz AZJZBASVANWOEP-TZMCWYRMSA-N 0 0 317.455 0.811 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N[C@@H](C(N)=O)C(C)C)no1 ZINC000360437264 261831571 /nfs/dbraw/zinc/83/15/71/261831571.db2.gz LXDBIKHXBZOJRF-WCBMZHEXSA-N 0 0 313.358 0.476 10 0 DCAERN Cc1cccc(N2CCN(C(=O)CN3CC(=O)N(C)C3)CC2)c1 ZINC000360484698 261836560 /nfs/dbraw/zinc/83/65/60/261836560.db2.gz ATQLMEZIPMRBGR-UHFFFAOYSA-N 0 0 316.405 0.375 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC1 ZINC000360683780 261861730 /nfs/dbraw/zinc/86/17/30/261861730.db2.gz RFQFHNBACZRMRP-QWRGUYRKSA-N 0 0 307.416 0.087 10 0 DCAERN C[C@H](C(=O)N1[C@@H](C)COC[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000361503424 261932356 /nfs/dbraw/zinc/93/23/56/261932356.db2.gz MWRWBUMCVMOQHN-SDDRHHMPSA-N 0 0 323.393 0.875 10 0 DCAERN C[C@H](C(=O)N1[C@H](C)COC[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000361503423 261933129 /nfs/dbraw/zinc/93/31/29/261933129.db2.gz MWRWBUMCVMOQHN-IJLUTSLNSA-N 0 0 323.393 0.875 10 0 DCAERN CNC(=O)CCCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361765772 261959409 /nfs/dbraw/zinc/95/94/09/261959409.db2.gz QMCNXAIGQRPWMD-UHFFFAOYSA-N 0 0 309.370 0.124 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1cn(C)nc1C(C)C)OC ZINC000361907842 261975539 /nfs/dbraw/zinc/97/55/39/261975539.db2.gz QQJLZLIFOBSNOM-JTQLQIEISA-N 0 0 312.370 0.260 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000361938502 261979092 /nfs/dbraw/zinc/97/90/92/261979092.db2.gz MRIZUIAJLZUADJ-SNVBAGLBSA-N 0 0 321.381 0.171 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N2CCSC[C@@H]2CCO)[C@@H]1OC ZINC000362108643 262000427 /nfs/dbraw/zinc/00/04/27/262000427.db2.gz GIUIIFWWNDLCNV-RVMXOQNASA-N 0 0 318.439 0.688 10 0 DCAERN COC(=O)C[C@@]1(NC(=O)c2cccc3ncnn32)CCOC1 ZINC000362144865 262003742 /nfs/dbraw/zinc/00/37/42/262003742.db2.gz FQPQCGGWQQWFAZ-AWEZNQCLSA-N 0 0 304.306 0.181 10 0 DCAERN CC(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000362229047 262012768 /nfs/dbraw/zinc/01/27/68/262012768.db2.gz BDJTZTOLLCQFOR-LERXQTSPSA-N 0 0 307.394 0.370 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H](C)n2cncn2)no1 ZINC000362311108 262020697 /nfs/dbraw/zinc/02/06/97/262020697.db2.gz AICFIDQBPPHSEN-MRVPVSSYSA-N 0 0 307.310 0.665 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(OCC)ncn1 ZINC000362665710 262058176 /nfs/dbraw/zinc/05/81/76/262058176.db2.gz PCWQRERSDGWJHS-ZJUUUORDSA-N 0 0 310.354 0.744 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000363147306 262101239 /nfs/dbraw/zinc/10/12/39/262101239.db2.gz RHCWBMAJUKSQJK-ZDUSSCGKSA-N 0 0 303.362 0.951 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H]2CCCC[C@@H]2O)C1=O ZINC000363553964 262120745 /nfs/dbraw/zinc/12/07/45/262120745.db2.gz ZJBSWFKRDVNFRU-KNHMANMVSA-N 0 0 323.393 0.374 10 0 DCAERN COC(=O)c1cccc(CC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363837166 262133847 /nfs/dbraw/zinc/13/38/47/262133847.db2.gz VXKWQJIMFAXYSF-HNNXBMFYSA-N 0 0 318.373 0.559 10 0 DCAERN O=C(Cc1[nH]nc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000363857001 262135095 /nfs/dbraw/zinc/13/50/95/262135095.db2.gz PHYITTBSAPTQCV-GFCCVEGCSA-N 0 0 300.362 0.648 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCOCC[C@@H]2C)n(C)n1 ZINC000363907945 262136005 /nfs/dbraw/zinc/13/60/05/262136005.db2.gz DJPFLHFJEFZPFN-NSHDSACASA-N 0 0 308.382 0.949 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC(=O)N1C ZINC000374429271 262158260 /nfs/dbraw/zinc/15/82/60/262158260.db2.gz MJUJAVNLBXTKFE-RYUDHWBXSA-N 0 0 307.394 0.467 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000104890363 270944995 /nfs/dbraw/zinc/94/49/95/270944995.db2.gz QKPGNBFHKCELAU-LBPRGKRZSA-N 0 0 315.373 0.770 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358317714 271049615 /nfs/dbraw/zinc/04/96/15/271049615.db2.gz LLGAXLYZWJCCCL-OAHLLOKOSA-N 0 0 320.437 0.767 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)[C@@H]2C1 ZINC000358929829 271081685 /nfs/dbraw/zinc/08/16/85/271081685.db2.gz FBLYZBRBAFSEQM-RDCQKDKRSA-N 0 0 311.426 0.950 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000359608854 271130391 /nfs/dbraw/zinc/13/03/91/271130391.db2.gz JJDPRGZFLABROC-IAQYHMDHSA-N 0 0 309.366 0.248 10 0 DCAERN Cn1cc(OCC(=O)NCc2ncn(-c3ccccc3)n2)cn1 ZINC000360945262 271168385 /nfs/dbraw/zinc/16/83/85/271168385.db2.gz CYJCZQYGEROWFE-UHFFFAOYSA-N 0 0 312.333 0.696 10 0 DCAERN CC(C)N1N=C(C(=O)N2CCC[C@@H](CC(N)=O)C2)CCC1=O ZINC000363347899 271186178 /nfs/dbraw/zinc/18/61/78/271186178.db2.gz MBRXAYKLMBBXQJ-NSHDSACASA-N 0 0 308.382 0.487 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CCO1 ZINC000363601519 271197826 /nfs/dbraw/zinc/19/78/26/271197826.db2.gz XWGZFZCCBHODLV-RNJOBUHISA-N 0 0 311.382 0.053 10 0 DCAERN Cn1cc(CN2CCN3CCOC[C@@H]3C2)c(-c2cccnc2)n1 ZINC000363887636 271207326 /nfs/dbraw/zinc/20/73/26/271207326.db2.gz LMCDYYOYBXSDFM-INIZCTEOSA-N 0 0 313.405 0.999 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398854574 271219284 /nfs/dbraw/zinc/21/92/84/271219284.db2.gz VAMCFQWBTGMPBM-SRVKXCTJSA-N 0 0 305.396 0.362 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434825433 271544582 /nfs/dbraw/zinc/54/45/82/271544582.db2.gz IURGYCFLZUNUGS-HTQZYQBOSA-N 0 0 324.406 0.587 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC2(CO)CCC2)c1 ZINC000447272891 271782916 /nfs/dbraw/zinc/78/29/16/271782916.db2.gz FIUCLKLSYYEKBU-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCn2cc(C)cn2)CC12COC2 ZINC000452263564 271912213 /nfs/dbraw/zinc/91/22/13/271912213.db2.gz NEIMALOWKCOBGO-ZDUSSCGKSA-N 0 0 321.377 0.620 10 0 DCAERN CCCN(C)c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458145083 271944211 /nfs/dbraw/zinc/94/42/11/271944211.db2.gz QTVXJTUWNAJIRA-OAHLLOKOSA-N 0 0 317.393 0.915 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000459788641 272008811 /nfs/dbraw/zinc/00/88/11/272008811.db2.gz SCDCBXINUQYHJF-LSDHHAIUSA-N 0 0 320.389 0.235 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000471668553 272029077 /nfs/dbraw/zinc/02/90/77/272029077.db2.gz KYOBEIZDPWHRGA-WDEREUQCSA-N 0 0 302.334 0.475 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccnn1C)CC2 ZINC000471907232 272032734 /nfs/dbraw/zinc/03/27/34/272032734.db2.gz AHQVLEMOIOVYQU-NSHDSACASA-N 0 0 317.397 0.730 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC000487108537 272038211 /nfs/dbraw/zinc/03/82/11/272038211.db2.gz GELWRAMRNFQKEH-HTQZYQBOSA-N 0 0 306.309 0.604 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000487150519 272039166 /nfs/dbraw/zinc/03/91/66/272039166.db2.gz MMFLPJYUYHUWJS-HTQZYQBOSA-N 0 0 315.757 0.854 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)CC1CC1 ZINC000489582030 272063825 /nfs/dbraw/zinc/06/38/25/272063825.db2.gz UBVIYVRBGORIGP-ZYHUDNBSSA-N 0 0 303.428 0.898 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@H](C)Cc2cc(C)n[nH]2)n(C)n1 ZINC000491603379 272102901 /nfs/dbraw/zinc/10/29/01/272102901.db2.gz CBKQVPYZZSPMAR-SECBINFHSA-N 0 0 318.381 0.700 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCCC(F)(F)C2)O1 ZINC000495034313 272237019 /nfs/dbraw/zinc/23/70/19/272237019.db2.gz BFCOFSOFXXMBHC-BBBLOLIVSA-N 0 0 305.325 0.896 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)n1 ZINC000523387253 272557068 /nfs/dbraw/zinc/55/70/68/272557068.db2.gz SPWWFTVTVLOCEY-HNNXBMFYSA-N 0 0 323.397 0.632 10 0 DCAERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNS(C)(=O)=O ZINC000526931550 272594384 /nfs/dbraw/zinc/59/43/84/272594384.db2.gz JZIIXULITKATEB-YUMQZZPRSA-N 0 0 302.318 0.725 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000530471564 272742436 /nfs/dbraw/zinc/74/24/36/272742436.db2.gz JKVYNNRQVWYXIJ-UHFFFAOYSA-N 0 0 303.362 0.940 10 0 DCAERN CCc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)s1 ZINC000528467302 287713112 /nfs/dbraw/zinc/71/31/12/287713112.db2.gz UUYCGBLSMDBWSW-UWVGGRQHSA-N 0 0 305.421 0.532 10 0 DCAERN CCCN1CCCN(C(=O)c2cccc3ncnn32)CC1=O ZINC000530415763 287747956 /nfs/dbraw/zinc/74/79/56/287747956.db2.gz OBUIDVAWKXAJLG-UHFFFAOYSA-N 0 0 301.350 0.814 10 0 DCAERN OCCN1CCCN(c2ncncc2Br)CC1 ZINC000090782141 275047077 /nfs/dbraw/zinc/04/70/77/275047077.db2.gz QIRYKTRVQQGDMG-UHFFFAOYSA-N 0 0 301.188 0.744 10 0 DCAERN CSc1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000535031679 287825317 /nfs/dbraw/zinc/82/53/17/287825317.db2.gz CAEOQLAWOZRKIX-UHFFFAOYSA-N 0 0 305.363 0.792 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000535078542 287828793 /nfs/dbraw/zinc/82/87/93/287828793.db2.gz VVOQLFIHEBZDAI-LBPRGKRZSA-N 0 0 310.375 0.808 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)C1 ZINC000536477603 287854672 /nfs/dbraw/zinc/85/46/72/287854672.db2.gz PUIQBPGREFRUBC-JTQLQIEISA-N 0 0 315.337 0.542 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2cccnc2-n2cncn2)CCC1 ZINC000176340430 275895412 /nfs/dbraw/zinc/89/54/12/275895412.db2.gz IISIRLGMRWAMGV-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN COc1cccc(COCC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000541754420 287925749 /nfs/dbraw/zinc/92/57/49/287925749.db2.gz SPLXMFVAISVCOS-HNNXBMFYSA-N 0 0 320.389 0.755 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000375984808 277014215 /nfs/dbraw/zinc/01/42/15/277014215.db2.gz MVAGVVIIBVWTKN-TZMCWYRMSA-N 0 0 314.407 0.316 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)[nH]1 ZINC000294625734 277155569 /nfs/dbraw/zinc/15/55/69/277155569.db2.gz JKMGUKJCCXWQTO-OLZOCXBDSA-N 0 0 307.350 0.346 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000408151680 277234858 /nfs/dbraw/zinc/23/48/58/277234858.db2.gz XIFUXNMXWLTKOD-QJPTWQEYSA-N 0 0 318.439 0.612 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000131456590 277322590 /nfs/dbraw/zinc/32/25/90/277322590.db2.gz DNNHTISAHJRIGC-SMDDNHRTSA-N 0 0 324.352 0.877 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000543760396 287966803 /nfs/dbraw/zinc/96/68/03/287966803.db2.gz DCFWNDZMZKBBHF-YPMHNXCESA-N 0 0 323.343 0.616 10 0 DCAERN Cn1c2ccc(C(=O)N3CCN4CCOC[C@H]4C3)cc2[nH]c1=O ZINC000544583652 287978196 /nfs/dbraw/zinc/97/81/96/287978196.db2.gz YDEPCOSPUDAUDT-GFCCVEGCSA-N 0 0 316.361 0.436 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CCn2ncn(C)c2=O)C[C@]12CCCO2 ZINC000329329416 277827639 /nfs/dbraw/zinc/82/76/39/277827639.db2.gz KZCHFIXNRBEPHP-DZGCQCFKSA-N 0 0 308.382 0.388 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000545968174 288008198 /nfs/dbraw/zinc/00/81/98/288008198.db2.gz CMGKHSBVLFQVAX-HNNXBMFYSA-N 0 0 320.397 0.152 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000330312210 278068092 /nfs/dbraw/zinc/06/80/92/278068092.db2.gz ODEXSAIIZZWAIL-GBJTYRQASA-N 0 0 322.405 0.528 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000333489503 278068107 /nfs/dbraw/zinc/06/81/07/278068107.db2.gz UHKDLAAFVRSSEQ-BYNSBNAKSA-N 0 0 322.405 0.718 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408059216 278093661 /nfs/dbraw/zinc/09/36/61/278093661.db2.gz ACHPIGIXJFOJOO-NEPJUHHUSA-N 0 0 305.382 0.782 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(CC(=O)N2CCC2)C1 ZINC000408211275 278147905 /nfs/dbraw/zinc/14/79/05/278147905.db2.gz NQIKJJGOTGJNDL-MNOVXSKESA-N 0 0 307.316 0.750 10 0 DCAERN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@@](O)(C(N)=O)C2)C1(C)C ZINC000408057065 278230413 /nfs/dbraw/zinc/23/04/13/278230413.db2.gz PKVBRSVLQDNNME-WQGACYEGSA-N 0 0 310.394 0.467 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CC(=O)N1C ZINC000282084414 288033091 /nfs/dbraw/zinc/03/30/91/288033091.db2.gz CRSIZSFVEHQVIW-GFCCVEGCSA-N 0 0 302.378 0.985 10 0 DCAERN CC1(C)C[C@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000333559388 278376761 /nfs/dbraw/zinc/37/67/61/278376761.db2.gz WARZTXDZDKPVQC-FRRDWIJNSA-N 0 0 323.397 0.722 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173872605 278397742 /nfs/dbraw/zinc/39/77/42/278397742.db2.gz IBOBGBQFQLJNKC-LSDHHAIUSA-N 0 0 323.437 0.568 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCn2cnnc2[C@H]1C ZINC000277003435 278567745 /nfs/dbraw/zinc/56/77/45/278567745.db2.gz XZPOCPNFZAJKQT-NXEZZACHSA-N 0 0 309.395 0.493 10 0 DCAERN CC(C)C[C@@H]1COCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408260334 279032779 /nfs/dbraw/zinc/03/27/79/279032779.db2.gz URZHTJHYTDTYRB-LLVKDONJSA-N 0 0 311.382 0.590 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000285839167 279200065 /nfs/dbraw/zinc/20/00/65/279200065.db2.gz ARBDMSJSJJYFFV-GWCFXTLKSA-N 0 0 305.382 0.283 10 0 DCAERN COC(=O)CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000548424876 288141525 /nfs/dbraw/zinc/14/15/25/288141525.db2.gz DUTNSKFHPNHWOW-KBPBESRZSA-N 0 0 310.394 0.794 10 0 DCAERN COc1cc(CN2CCN3C(=O)N=NC3C2)cc2c1OCO2 ZINC000548522330 288149964 /nfs/dbraw/zinc/14/99/64/288149964.db2.gz DAYIGQIOPJMDNG-UHFFFAOYSA-N 0 0 304.306 0.737 10 0 DCAERN O=C(CN1CCOCC1=O)NCCc1cc2ccccc2[nH]1 ZINC000548721267 288170818 /nfs/dbraw/zinc/17/08/18/288170818.db2.gz NVMPNSYURBGEHQ-UHFFFAOYSA-N 0 0 301.346 0.685 10 0 DCAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000079537969 279993739 /nfs/dbraw/zinc/99/37/39/279993739.db2.gz KUHXQHLZMOFYPH-GRYCIOLGSA-N 0 0 307.398 0.954 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1cccc(CO)n1)C1CCCC1 ZINC000549714018 288202030 /nfs/dbraw/zinc/20/20/30/288202030.db2.gz FAOOSALAMIOXKI-HNNXBMFYSA-N 0 0 305.378 0.885 10 0 DCAERN CC(C)[C@H](C(=O)N1CC(n2ccnn2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000378532266 280140222 /nfs/dbraw/zinc/14/02/22/280140222.db2.gz KTJKKTXAQTUMSU-UMVBOHGHSA-N 0 0 321.425 0.795 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000181869535 280204812 /nfs/dbraw/zinc/20/48/12/280204812.db2.gz LGNPRGHIPPDBFG-CQSZACIVSA-N 0 0 323.441 0.635 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOC[C@H]2CC2CCC2)CC1 ZINC000550503133 288216472 /nfs/dbraw/zinc/21/64/72/288216472.db2.gz XHDZGRJBZVHXCR-MRXNPFEDSA-N 0 0 323.437 0.568 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@H]1N1CCOCC1 ZINC000263105664 280366586 /nfs/dbraw/zinc/36/65/86/280366586.db2.gz ZUPHGUKUPZWQQG-FRRDWIJNSA-N 0 0 317.380 0.553 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000066528787 280872334 /nfs/dbraw/zinc/87/23/34/280872334.db2.gz RLEIQTUKPALZOU-QWHCGFSZSA-N 0 0 309.410 0.367 10 0 DCAERN CCN1CC(=O)N(C[C@@]2(N3CCOCC3)CCSC2)C1=O ZINC000554113953 288313633 /nfs/dbraw/zinc/31/36/33/288313633.db2.gz BNTDPUUSCQPVRY-AWEZNQCLSA-N 0 0 313.423 0.478 10 0 DCAERN Cc1cc(CCNC(=O)N2CC[C@@H](N3CCCC3=O)C2)on1 ZINC000554307384 288318108 /nfs/dbraw/zinc/31/81/08/288318108.db2.gz NHJPDKXATVRNLX-GFCCVEGCSA-N 0 0 306.366 0.932 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC000554579565 288330480 /nfs/dbraw/zinc/33/04/80/288330480.db2.gz UCMRQZPDWZWVRY-JMSVASOKSA-N 0 0 309.366 0.594 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 ZINC000554766648 288337408 /nfs/dbraw/zinc/33/74/08/288337408.db2.gz LKRCVQHNIDGZDV-GFCCVEGCSA-N 0 0 304.350 0.997 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000277132955 288361923 /nfs/dbraw/zinc/36/19/23/288361923.db2.gz OWXSVUAOTWAAQG-TZMCWYRMSA-N 0 0 305.378 0.870 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)C(C)C ZINC000557622652 288426060 /nfs/dbraw/zinc/42/60/60/288426060.db2.gz STWIFXFDLJLIEC-ONGXEEELSA-N 0 0 304.412 0.229 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cnn(CC)c1 ZINC000560104027 288485416 /nfs/dbraw/zinc/48/54/16/288485416.db2.gz YVGZLXCKHIVOSF-GHMZBOCLSA-N 0 0 324.381 0.018 10 0 DCAERN CC(C)NS(=O)(=O)NCCNC(=O)NCCCC1CC1 ZINC000562378171 288570424 /nfs/dbraw/zinc/57/04/24/288570424.db2.gz QGVDNXUAOZGVIT-UHFFFAOYSA-N 0 0 306.432 0.308 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000562415084 288573524 /nfs/dbraw/zinc/57/35/24/288573524.db2.gz KJOVVYHWWQSAJD-MCIONIFRSA-N 0 0 321.439 0.052 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@@H](CC3CC3)C2=O)c1 ZINC000562562856 288584535 /nfs/dbraw/zinc/58/45/35/288584535.db2.gz QQDWQGCFMDOUTK-LBPRGKRZSA-N 0 0 323.374 0.820 10 0 DCAERN CN(CC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)S(C)(=O)=O ZINC000408132800 289466923 /nfs/dbraw/zinc/46/69/23/289466923.db2.gz LRKBAOXTOFZGKI-WDEREUQCSA-N 0 0 306.428 0.133 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000185907437 290368033 /nfs/dbraw/zinc/36/80/33/290368033.db2.gz LYWYRHPLCCQHHG-NHYWBVRUSA-N 0 0 323.780 0.864 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000408040750 290579635 /nfs/dbraw/zinc/57/96/35/290579635.db2.gz CXZNVFQHFJIHGQ-MXWKQRLJSA-N 0 0 306.370 0.327 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2COc3ccccc3C2=O)c(=O)[nH]c1C ZINC000181554280 293185579 /nfs/dbraw/zinc/18/55/79/293185579.db2.gz MGAUDTOIMATOFD-LLVKDONJSA-N 0 0 313.313 0.760 10 0 DCAERN CO[C@@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)C(C)C ZINC000408244056 293533046 /nfs/dbraw/zinc/53/30/46/293533046.db2.gz MNSVWGKVECGYKQ-NSHDSACASA-N 0 0 306.428 0.876 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS1(=O)=O ZINC000333229264 297060286 /nfs/dbraw/zinc/06/02/86/297060286.db2.gz XWEZHTBBQMFFSP-WISYIIOYSA-N 0 0 307.437 0.624 10 0 DCAERN CO[C@@]1(C)C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408277419 294160402 /nfs/dbraw/zinc/16/04/02/294160402.db2.gz OXNGMVMWDQENLR-VFZGTOFNSA-N 0 0 311.382 0.637 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2CSc3ccccc32)c(=O)n(C)c1=O ZINC000173082726 294264936 /nfs/dbraw/zinc/26/49/36/294264936.db2.gz VGGHORSEKOGGAO-SNVBAGLBSA-N 0 0 317.370 0.912 10 0 DCAERN CO[C@]1(C)C[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1(C)C ZINC000408185934 294836103 /nfs/dbraw/zinc/83/61/03/294836103.db2.gz OAZBQSAUPOLQPS-ZWNOBZJWSA-N 0 0 306.428 0.540 10 0 DCAERN COc1cc2c(c([C@@H]3NC(=O)[C@H]4COCCN43)c1)O[C@@H](C)C2 ZINC000093883413 295031772 /nfs/dbraw/zinc/03/17/72/295031772.db2.gz FFAOXRMTBPBAMG-JBCWJZNQSA-N 0 0 304.346 0.848 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000180265565 295158674 /nfs/dbraw/zinc/15/86/74/295158674.db2.gz HGNDDCUNWZGTKA-SNVBAGLBSA-N 0 0 304.680 0.945 10 0 DCAERN CS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333171684 295522350 /nfs/dbraw/zinc/52/23/50/295522350.db2.gz NXKCXAWUNSNPFL-GRYCIOLGSA-N 0 0 322.452 0.082 10 0 DCAERN C[C@H](C(=O)N1CCCCCC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247138031 298017002 /nfs/dbraw/zinc/01/70/02/298017002.db2.gz QZPFSDAYWLKKPM-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000373573011 298087721 /nfs/dbraw/zinc/08/77/21/298087721.db2.gz DYZGWXQVLSJKOI-SKDRFNHKSA-N 0 0 307.316 0.608 10 0 DCAERN C[C@H]1CSCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408202249 300389683 /nfs/dbraw/zinc/38/96/83/300389683.db2.gz LVDXOHFRUKOFNN-VIFPVBQESA-N 0 0 313.466 0.331 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CC(F)(F)F ZINC000408306166 300700207 /nfs/dbraw/zinc/70/02/07/300700207.db2.gz BLFUGRIBOOYSTE-BQBZGAKWSA-N 0 0 309.331 0.386 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000123790450 301251017 /nfs/dbraw/zinc/25/10/17/301251017.db2.gz XQUQVALWOLJXLL-OLZOCXBDSA-N 0 0 308.382 0.113 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000179688201 301315818 /nfs/dbraw/zinc/31/58/18/301315818.db2.gz FWBCYVYHSXZPBA-JTQLQIEISA-N 0 0 302.327 0.009 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCCCNC2=O)cn1 ZINC000171468323 302935606 /nfs/dbraw/zinc/93/56/06/302935606.db2.gz IYYHDEOYQWFZAI-QWHCGFSZSA-N 0 0 305.382 0.935 10 0 DCAERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329127411 303077615 /nfs/dbraw/zinc/07/76/15/303077615.db2.gz MZNYKIDAQMHWPD-QVHKTLOISA-N 0 0 321.377 0.514 10 0 DCAERN Cn1nccc1[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC(=O)N1C ZINC000328903935 303084343 /nfs/dbraw/zinc/08/43/43/303084343.db2.gz IPERLNHSLGRGGJ-ZAZJYDDPSA-N 0 0 318.377 0.329 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332754727 303100610 /nfs/dbraw/zinc/10/06/10/303100610.db2.gz JRAUZALKRCWTMJ-AVGNSLFASA-N 0 0 321.381 0.466 10 0 DCAERN O=C(CN1CCCC1=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000041815627 303604592 /nfs/dbraw/zinc/60/45/92/303604592.db2.gz NYSNEBBBENIPBR-JTQLQIEISA-N 0 0 322.390 0.695 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408260529 303895944 /nfs/dbraw/zinc/89/59/44/303895944.db2.gz VWAOJGNIKKRHBI-MLGOLLRUSA-N 0 0 317.393 0.579 10 0 DCAERN C[C@H](NC(=O)N1CC(CO)C1)c1ccc(-n2ccnn2)cc1 ZINC000189679537 333375013 /nfs/dbraw/zinc/37/50/13/333375013.db2.gz YCZPNSDPLRDWBQ-NSHDSACASA-N 0 0 301.350 0.962 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)CO)c1 ZINC000583535953 335684968 /nfs/dbraw/zinc/68/49/68/335684968.db2.gz LWIQZFNGUVCEIE-AWEZNQCLSA-N 0 0 312.391 0.582 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000190558189 336264006 /nfs/dbraw/zinc/26/40/06/336264006.db2.gz NNORVBKBFLOSQS-MNOVXSKESA-N 0 0 304.350 0.866 10 0 DCAERN Cc1nnc(N2C[C@H](C(N)=O)CC[C@H]2C)n1C[C@@H]1CCCO1 ZINC000582274851 336869739 /nfs/dbraw/zinc/86/97/39/336869739.db2.gz MOXLYPOYMMKMSZ-RTXFEEFZSA-N 0 0 307.398 0.856 10 0 DCAERN C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1cccs1 ZINC000584470738 337345136 /nfs/dbraw/zinc/34/51/36/337345136.db2.gz HDQBNETWOVAWTE-UWVGGRQHSA-N 0 0 317.436 0.365 10 0 DCAERN COc1ccc(OCCS(=O)(=O)[C@@H](CO)CCO)cc1 ZINC000584615191 337372673 /nfs/dbraw/zinc/37/26/73/337372673.db2.gz MAOSJBOEFFGTSH-CYBMUJFWSA-N 0 0 304.364 0.232 10 0 DCAERN O=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1CC[S@@](=O)C1 ZINC000332947237 337668309 /nfs/dbraw/zinc/66/83/09/337668309.db2.gz VOCCILWGKNSUII-WIFINTHYSA-N 0 0 310.375 0.647 10 0 DCAERN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000332984631 338536813 /nfs/dbraw/zinc/53/68/13/338536813.db2.gz ZBPCDBLTGWVHDR-GWOFURMSSA-N 0 0 320.311 0.938 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCCNS(C)(=O)=O)c1 ZINC000171535971 341779530 /nfs/dbraw/zinc/77/95/30/341779530.db2.gz RYMBPCNLEBNTFB-STQMWFEESA-N 0 0 312.391 0.464 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@@H]2CCN(C)C2=O)n1 ZINC000172369903 341797882 /nfs/dbraw/zinc/79/78/82/341797882.db2.gz SPXFYPMIKJGXCY-SNVBAGLBSA-N 0 0 309.370 0.656 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCNS(C)(=O)=O ZINC000177172633 341917093 /nfs/dbraw/zinc/91/70/93/341917093.db2.gz BPODMZBDOJXGIF-GFCCVEGCSA-N 0 0 314.411 0.122 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@]1(O)CCOC1)C(C)C ZINC000178953314 341973469 /nfs/dbraw/zinc/97/34/69/341973469.db2.gz MXWDFHGDMGXURE-ZFWWWQNUSA-N 0 0 300.399 0.441 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CCN1CCO ZINC000188871685 533864613 /nfs/dbraw/zinc/86/46/13/533864613.db2.gz VWFGVDFHMBJOMW-JTQLQIEISA-N 0 0 324.356 0.455 10 0 DCAERN C[C@H]1CN(CC(=O)NCCC2=CCCCC2)CCN1CCO ZINC000187697397 533913950 /nfs/dbraw/zinc/91/39/50/533913950.db2.gz ZVQXEUOXCCFKCX-HNNXBMFYSA-N 0 0 309.454 0.992 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000194004480 534043043 /nfs/dbraw/zinc/04/30/43/534043043.db2.gz PGFXRZPMOLMPLW-WCQYABFASA-N 0 0 318.377 0.629 10 0 DCAERN C[C@@H]1CC[C@H](CCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)O1 ZINC000173651143 534232856 /nfs/dbraw/zinc/23/28/56/534232856.db2.gz QFSSFPBKAHSBOU-GRYCIOLGSA-N 0 0 304.412 0.484 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)no1 ZINC000441709236 517862247 /nfs/dbraw/zinc/86/22/47/517862247.db2.gz UXMUDNJBWJGUHM-SNVBAGLBSA-N 0 0 324.381 0.478 10 0 DCAERN NC(=O)CN1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1 ZINC000185450763 534326531 /nfs/dbraw/zinc/32/65/31/534326531.db2.gz UUZFXJYXGGOLIJ-UHFFFAOYSA-N 0 0 317.389 0.514 10 0 DCAERN COCCCCS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000185097773 518051464 /nfs/dbraw/zinc/05/14/64/518051464.db2.gz CTYTVWWSUKGRMR-KBPBESRZSA-N 0 0 320.455 0.395 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000191114953 519483428 /nfs/dbraw/zinc/48/34/28/519483428.db2.gz OGZIPIPFJGUOKE-OAHLLOKOSA-N 0 0 315.373 0.729 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)C(C)C ZINC000365404943 519597430 /nfs/dbraw/zinc/59/74/30/519597430.db2.gz RNUAYRXUIQISOK-WBVHZDCISA-N 0 0 323.437 0.912 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3ncccc3c2)C1 ZINC000191346714 519647754 /nfs/dbraw/zinc/64/77/54/519647754.db2.gz KEYZOAVYTVXELK-UHFFFAOYSA-N 0 0 312.329 0.520 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000190503167 519648868 /nfs/dbraw/zinc/64/88/68/519648868.db2.gz ZZDSTQFGXNUYNR-UHFFFAOYSA-N 0 0 301.346 0.556 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366115238 519807483 /nfs/dbraw/zinc/80/74/83/519807483.db2.gz OXZBERDYEHMRFN-XQHKEYJVSA-N 0 0 313.398 0.332 10 0 DCAERN CCCNC(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)nc1 ZINC000364884539 519899137 /nfs/dbraw/zinc/89/91/37/519899137.db2.gz QWKZREWSNIFTGG-AWEZNQCLSA-N 0 0 304.394 0.742 10 0 DCAERN CCN(C(=O)CCc1ccnn1C)[C@H](C)CS(C)(=O)=O ZINC000124323427 519908207 /nfs/dbraw/zinc/90/82/07/519908207.db2.gz ZAUSXWWPBUAZEH-LLVKDONJSA-N 0 0 301.412 0.634 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000187979344 520206383 /nfs/dbraw/zinc/20/63/83/520206383.db2.gz PZVGSHXNIFOBPC-QWHCGFSZSA-N 0 0 307.398 0.924 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCCn2ncnc21 ZINC000177541515 520263485 /nfs/dbraw/zinc/26/34/85/520263485.db2.gz JJJOXBOZNNBQPM-NSHDSACASA-N 0 0 314.411 0.834 10 0 DCAERN CCCOc1ccc(CNC(=O)N2CC(NC(C)=O)C2)cn1 ZINC000190053235 520358166 /nfs/dbraw/zinc/35/81/66/520358166.db2.gz ANXTVSIJBQKMLI-UHFFFAOYSA-N 0 0 306.366 0.900 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccc(C)n1 ZINC000194409604 520525395 /nfs/dbraw/zinc/52/53/95/520525395.db2.gz INUNRERGIUJJSI-NSHDSACASA-N 0 0 312.395 0.928 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCc2cccc(CO)c2)c1 ZINC000178691185 534500409 /nfs/dbraw/zinc/50/04/09/534500409.db2.gz MEAVIPIBOYNBOB-UHFFFAOYSA-N 0 0 320.370 0.756 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000267538243 520777328 /nfs/dbraw/zinc/77/73/28/520777328.db2.gz OGGMCGBUELVWII-GFCCVEGCSA-N 0 0 302.400 0.380 10 0 DCAERN CCN(CCO)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188260918 521091662 /nfs/dbraw/zinc/09/16/62/521091662.db2.gz VLVOGBCDLUWEMY-AWEZNQCLSA-N 0 0 323.368 0.950 10 0 DCAERN CCN(CCc1nccs1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000132048837 521177579 /nfs/dbraw/zinc/17/75/79/521177579.db2.gz RURGPSWPLTUUJN-SECBINFHSA-N 0 0 305.425 0.472 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)CC1=O ZINC000124237457 521725994 /nfs/dbraw/zinc/72/59/94/521725994.db2.gz FMTFROGBHWNILZ-ZDUSSCGKSA-N 0 0 304.394 0.995 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCc1nc(CSC)no1 ZINC000126513273 521748088 /nfs/dbraw/zinc/74/80/88/521748088.db2.gz OGOJTSLIPBVITQ-SECBINFHSA-N 0 0 312.395 0.602 10 0 DCAERN O=C(CNc1cc(N2CCC[C@H]2CO)ncn1)NCC1CC1 ZINC000302079932 534597949 /nfs/dbraw/zinc/59/79/49/534597949.db2.gz XLGBNMBFZRXETH-LBPRGKRZSA-N 0 0 305.382 0.376 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)CO)c(C)o1 ZINC000132049441 522267554 /nfs/dbraw/zinc/26/75/54/522267554.db2.gz WFPRBUKNPYCAIN-HTQZYQBOSA-N 0 0 304.368 0.243 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)N(C)CC ZINC000184804230 522509035 /nfs/dbraw/zinc/50/90/35/522509035.db2.gz WKHKEZOUOBNPOR-JTQLQIEISA-N 0 0 308.386 0.453 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000182875791 522520345 /nfs/dbraw/zinc/52/03/45/522520345.db2.gz CFVSUANNWNSUND-OAHLLOKOSA-N 0 0 307.350 0.233 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@H]1C(=O)NC ZINC000190895737 522644843 /nfs/dbraw/zinc/64/48/43/522644843.db2.gz BVEDZMYFIYYUBK-AWEZNQCLSA-N 0 0 306.410 0.824 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000189601634 522647075 /nfs/dbraw/zinc/64/70/75/522647075.db2.gz BSQNAZLBSZDFQM-LLVKDONJSA-N 0 0 306.366 0.009 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000127714354 522717202 /nfs/dbraw/zinc/71/72/02/522717202.db2.gz UPMHJUCRGWBHEX-GFCCVEGCSA-N 0 0 312.391 0.753 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 ZINC000189198001 522757084 /nfs/dbraw/zinc/75/70/84/522757084.db2.gz VGTHUQAATOHNFL-CYBMUJFWSA-N 0 0 310.325 0.223 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000135052167 522904803 /nfs/dbraw/zinc/90/48/03/522904803.db2.gz LYXQUZTYGPJOPQ-LLVKDONJSA-N 0 0 317.397 0.883 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000189454111 522997126 /nfs/dbraw/zinc/99/71/26/522997126.db2.gz ZDWARCQJWZFVIE-CQSZACIVSA-N 0 0 323.368 0.679 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)CN1CCCC1=O ZINC000176563686 523099112 /nfs/dbraw/zinc/09/91/12/523099112.db2.gz KCTOAZZSKUXYSF-HNNXBMFYSA-N 0 0 320.389 0.645 10 0 DCAERN CC[C@]1(C)CN(S(=O)(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000190596548 523577087 /nfs/dbraw/zinc/57/70/87/523577087.db2.gz HBYVIBPQTBMFMG-CQSZACIVSA-N 0 0 312.391 0.975 10 0 DCAERN CN1C(=O)CO[C@@H](C(=O)N2CC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000368940065 523693475 /nfs/dbraw/zinc/69/34/75/523693475.db2.gz UMARJTGQIPZUPX-VHDGCEQUSA-N 0 0 304.346 0.178 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)Nc1nncs1 ZINC000191179791 523813810 /nfs/dbraw/zinc/81/38/10/523813810.db2.gz PJNWSXNUXFGLHO-YWVKMMECSA-N 0 0 310.379 0.750 10 0 DCAERN CN(C(=O)[C@]1(O)CCSC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155664847 523914940 /nfs/dbraw/zinc/91/49/40/523914940.db2.gz UEFHJCVUFBNYEH-DOMZBBRYSA-N 0 0 322.434 0.772 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@]2(O)CCc3ccccc32)CCC1=O ZINC000127838635 524010665 /nfs/dbraw/zinc/01/06/65/524010665.db2.gz XVQHWEJADMWESK-SUMWQHHRSA-N 0 0 317.389 0.740 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@@H](Oc3ccncc3)C2)CCC1=O ZINC000158048750 524011009 /nfs/dbraw/zinc/01/10/09/524011009.db2.gz LEMJVPBMYAGNFC-GXTWGEPZSA-N 0 0 318.377 0.865 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@]2(O)CCc3ccccc32)CCC1=O ZINC000127838896 524023922 /nfs/dbraw/zinc/02/39/22/524023922.db2.gz XVQHWEJADMWESK-DYVFJYSZSA-N 0 0 317.389 0.740 10 0 DCAERN CNC(=O)NCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000270530262 524078686 /nfs/dbraw/zinc/07/86/86/524078686.db2.gz UCDQYQXIFQINPG-UHFFFAOYSA-N 0 0 307.354 0.762 10 0 DCAERN Cc1ccc(CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000129836753 524262754 /nfs/dbraw/zinc/26/27/54/524262754.db2.gz BDYUHDCKYJZJPP-NSHDSACASA-N 0 0 316.448 0.997 10 0 DCAERN COc1ccc(F)cc1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000188681782 524309562 /nfs/dbraw/zinc/30/95/62/524309562.db2.gz NOZXCRIMMSGNFI-UHFFFAOYSA-N 0 0 318.370 0.778 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000194242021 524530157 /nfs/dbraw/zinc/53/01/57/524530157.db2.gz IDUHBCSBKNIQSI-XCBNKYQSSA-N 0 0 316.404 0.406 10 0 DCAERN Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](C)O)CC2)c1 ZINC000153042823 524591597 /nfs/dbraw/zinc/59/15/97/524591597.db2.gz KTANFICLIKKTRT-ZDUSSCGKSA-N 0 0 305.378 0.459 10 0 DCAERN C[C@H]1CN(Cc2cc(=O)n3ccsc3n2)CCS1(=O)=O ZINC000155602504 524610090 /nfs/dbraw/zinc/61/00/90/524610090.db2.gz IILAYXMVOWDSFH-VIFPVBQESA-N 0 0 313.404 0.375 10 0 DCAERN C[C@@H](CN1CCN(CC(C)(C)O)C[C@@H]1C)CS(C)(=O)=O ZINC000249389216 524618912 /nfs/dbraw/zinc/61/89/12/524618912.db2.gz QKWRSALQOUSORW-STQMWFEESA-N 0 0 306.472 0.444 10 0 DCAERN C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@@H]1N1CCOCC1 ZINC000266130652 524888003 /nfs/dbraw/zinc/88/80/03/524888003.db2.gz DDZMLFQWINTNPB-OLZOCXBDSA-N 0 0 315.377 0.522 10 0 DCAERN C[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H](C(N)=O)O1 ZINC000188488813 524888248 /nfs/dbraw/zinc/88/82/48/524888248.db2.gz WDRAKSKZZQTOJH-BXKDBHETSA-N 0 0 307.350 0.658 10 0 DCAERN C[C@H](NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1)c1cnn(C)c1 ZINC000267576157 525048538 /nfs/dbraw/zinc/04/85/38/525048538.db2.gz FOMMILJDXOFSJN-YDHLFZDLSA-N 0 0 321.425 0.843 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccccc2F)C1 ZINC000116833140 525207901 /nfs/dbraw/zinc/20/79/01/525207901.db2.gz FSKSATSOEJZPHI-SNVBAGLBSA-N 0 0 316.354 0.355 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ncncc2Br)C1 ZINC000126580094 525215090 /nfs/dbraw/zinc/21/50/90/525215090.db2.gz SJNJDJXXIKOPGY-ZETCQYMHSA-N 0 0 321.200 0.367 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000152255620 525289685 /nfs/dbraw/zinc/28/96/85/525289685.db2.gz IGQJIIZOQONCET-ZLKJLUDKSA-N 0 0 306.362 0.948 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000275698564 534902488 /nfs/dbraw/zinc/90/24/88/534902488.db2.gz NIMZPEOYEBNCIG-NSHDSACASA-N 0 0 300.366 0.819 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@](C)(O)C1 ZINC000192045134 526209002 /nfs/dbraw/zinc/20/90/02/526209002.db2.gz IBCDXOVIMJOBBM-BMIGLBTASA-N 0 0 306.366 0.776 10 0 DCAERN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCNC(=O)CC1 ZINC000158742279 526624452 /nfs/dbraw/zinc/62/44/52/526624452.db2.gz MHAONSXZTWSPER-UHFFFAOYSA-N 0 0 320.324 0.317 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000176633544 526641323 /nfs/dbraw/zinc/64/13/23/526641323.db2.gz STILJMCOZBIKCS-HUUCEWRRSA-N 0 0 320.393 0.287 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N[C@H]1CCc2ncnn2C1 ZINC000112652534 526838138 /nfs/dbraw/zinc/83/81/38/526838138.db2.gz HFIBNVKLQNZIQI-LBPRGKRZSA-N 0 0 320.397 0.341 10 0 DCAERN Cc1nc(CNC(=O)NCCNC(=O)c2ccc(C)cc2)no1 ZINC000176611531 526880803 /nfs/dbraw/zinc/88/08/03/526880803.db2.gz ZWWBTPGEEPEEQZ-UHFFFAOYSA-N 0 0 317.349 0.916 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000127419532 526890154 /nfs/dbraw/zinc/89/01/54/526890154.db2.gz LWULWQHYVOIILI-ZDUSSCGKSA-N 0 0 315.377 0.957 10 0 DCAERN CC(C)(C)n1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)nn1 ZINC000191382359 526922412 /nfs/dbraw/zinc/92/24/12/526922412.db2.gz PUTACNAMZHIMBF-SNVBAGLBSA-N 0 0 301.416 0.157 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)o1 ZINC000188883623 527048191 /nfs/dbraw/zinc/04/81/91/527048191.db2.gz AKZVCIYTWIHYNC-UHFFFAOYSA-N 0 0 320.349 0.189 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]2CCO)c1 ZINC000188918270 527088047 /nfs/dbraw/zinc/08/80/47/527088047.db2.gz YXJLWCMCWMWAPD-GWCFXTLKSA-N 0 0 312.391 0.615 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000162558004 527284332 /nfs/dbraw/zinc/28/43/32/527284332.db2.gz DNWJLICKORLRSU-ZJUUUORDSA-N 0 0 310.780 0.272 10 0 DCAERN Cn1cc([C@@]2(C)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cn1 ZINC000131386391 527313111 /nfs/dbraw/zinc/31/31/11/527313111.db2.gz VMFQOQLFZCOJTR-CQSZACIVSA-N 0 0 307.354 0.102 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CCN(c2cccnn2)CC1 ZINC000162942892 527423918 /nfs/dbraw/zinc/42/39/18/527423918.db2.gz KKXRLACHKQLXAC-UHFFFAOYSA-N 0 0 323.364 0.361 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000158805701 527492930 /nfs/dbraw/zinc/49/29/30/527492930.db2.gz WMPDCTAQRTWWLA-NWDGAFQWSA-N 0 0 318.381 0.046 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000186327586 527497104 /nfs/dbraw/zinc/49/71/04/527497104.db2.gz NKUVVBBNOFGQEF-LBPRGKRZSA-N 0 0 321.406 0.961 10 0 DCAERN Cn1nccc1CCC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000128572327 527602518 /nfs/dbraw/zinc/60/25/18/527602518.db2.gz AMPGAANXCHOYRW-UHFFFAOYSA-N 0 0 313.361 0.812 10 0 DCAERN Cn1nccc1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000163588212 527604295 /nfs/dbraw/zinc/60/42/95/527604295.db2.gz TTWZZQXTCLUUCK-UHFFFAOYSA-N 0 0 308.363 0.639 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000133457423 527654130 /nfs/dbraw/zinc/65/41/30/527654130.db2.gz VXJMDLCOMPSBCR-UHFFFAOYSA-N 0 0 303.322 0.548 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000155336987 527787582 /nfs/dbraw/zinc/78/75/82/527787582.db2.gz RZMAICYFMKGLEZ-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN COCCCN(CCO)C(=O)NCc1nnc2ccccn21 ZINC000446570259 536518230 /nfs/dbraw/zinc/51/82/30/536518230.db2.gz YCIJKKQRXQXALQ-UHFFFAOYSA-N 0 0 307.354 0.270 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C1(C(=O)NC[C@@H](O)C(C)C)CCC1 ZINC000178476445 528628372 /nfs/dbraw/zinc/62/83/72/528628372.db2.gz SQRYCIAJYLEXQP-BETUJISGSA-N 0 0 314.426 0.423 10 0 DCAERN CC(C)[C@H](C)CNC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000192492204 528944256 /nfs/dbraw/zinc/94/42/56/528944256.db2.gz OKHNCZXYAQOICI-LLVKDONJSA-N 0 0 305.444 0.989 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000153782376 528977699 /nfs/dbraw/zinc/97/76/99/528977699.db2.gz GYCMOARAJBDZAX-AAEUAGOBSA-N 0 0 324.425 0.744 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@@H]2CCOC2)CC[S@@]1=O ZINC000184310873 529084688 /nfs/dbraw/zinc/08/46/88/529084688.db2.gz PIVAYOIHMNKTSQ-CWTRNNRKSA-N 0 0 323.480 0.976 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H]2COc3ccc(F)cc3C2)nn1 ZINC000451820306 534933095 /nfs/dbraw/zinc/93/30/95/534933095.db2.gz ABRSMJZSPJYYEK-LBPRGKRZSA-N 0 0 318.308 0.740 10 0 DCAERN CC[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(N)=O ZINC000292127339 535926342 /nfs/dbraw/zinc/92/63/42/535926342.db2.gz NOOBOXFSWNKIPC-ZETCQYMHSA-N 0 0 316.770 0.530 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000285095499 536786285 /nfs/dbraw/zinc/78/62/85/536786285.db2.gz PTEFFDFNPDFIDI-WDEREUQCSA-N 0 0 303.355 0.904 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000457669577 536880651 /nfs/dbraw/zinc/88/06/51/536880651.db2.gz XNIULDRJFCTIOQ-QWHCGFSZSA-N 0 0 320.345 0.544 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000457579043 536880921 /nfs/dbraw/zinc/88/09/21/536880921.db2.gz SEETXFUSADCRIA-UHFFFAOYSA-N 0 0 318.329 0.660 10 0 DCAERN O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)COCc1ccco1 ZINC000071814175 545664018 /nfs/dbraw/zinc/66/40/18/545664018.db2.gz WCCQGDJVTPPNGG-DGCLKSJQSA-N 0 0 308.334 0.974 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000074775084 545671654 /nfs/dbraw/zinc/67/16/54/545671654.db2.gz FEZZBURHJXLLIA-NSHDSACASA-N 0 0 303.384 0.243 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(O)CCC2)[C@@H]1c1cccnc1 ZINC000081431610 545694101 /nfs/dbraw/zinc/69/41/01/545694101.db2.gz BUFDTBOGQMAMSF-OCCSQVGLSA-N 0 0 303.362 0.632 10 0 DCAERN CNC(=O)CN(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000096982509 545728960 /nfs/dbraw/zinc/72/89/60/545728960.db2.gz ORMBTVINUQBXPF-UHFFFAOYSA-N 0 0 306.391 0.651 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)N[C@@H]1CCc2ncnn2C1 ZINC000120586775 545743923 /nfs/dbraw/zinc/74/39/23/545743923.db2.gz FMLLGOJDIXGFLS-MNOVXSKESA-N 0 0 300.384 0.081 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132908369 545795533 /nfs/dbraw/zinc/79/55/33/545795533.db2.gz BQXRBBRBTBYKFZ-DZGCQCFKSA-N 0 0 314.426 0.581 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000136469207 545807980 /nfs/dbraw/zinc/80/79/80/545807980.db2.gz KNJUMMKRXSOUBN-ZDUSSCGKSA-N 0 0 309.410 0.810 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCOCC(F)(F)F ZINC000155870983 545845833 /nfs/dbraw/zinc/84/58/33/545845833.db2.gz QQXNQBUPQSEREO-SECBINFHSA-N 0 0 311.304 0.875 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000176945823 545888827 /nfs/dbraw/zinc/88/88/27/545888827.db2.gz GWPVKQICMSWVPZ-NSHDSACASA-N 0 0 308.382 0.061 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnn(-c3ccccn3)c2C)C1 ZINC000178134330 545893339 /nfs/dbraw/zinc/89/33/39/545893339.db2.gz SCAWEKJQHJQUOW-UHFFFAOYSA-N 0 0 313.361 0.784 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000180804479 545902380 /nfs/dbraw/zinc/90/23/80/545902380.db2.gz XHAUJEKQJIVXOL-APPZFPTMSA-N 0 0 308.256 0.780 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@H](O)CC)CC2)cn1 ZINC000189151548 545918985 /nfs/dbraw/zinc/91/89/85/545918985.db2.gz FOFRAHHTFFQQNU-GFCCVEGCSA-N 0 0 308.382 0.404 10 0 DCAERN Cc1ccc(N2CCCN([C@@H](C)c3nnnn3C)CC2)nn1 ZINC000189134844 545919703 /nfs/dbraw/zinc/91/97/03/545919703.db2.gz JYOQXBNKQZEEBW-LBPRGKRZSA-N 0 0 302.386 0.582 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000191495492 545925598 /nfs/dbraw/zinc/92/55/98/545925598.db2.gz BRDVTXLKSKDBRH-UHFFFAOYSA-N 0 0 302.309 0.972 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)C2)C[C@@H](C)O1 ZINC000225992997 545943838 /nfs/dbraw/zinc/94/38/38/545943838.db2.gz MSVXRXCVSOVLFZ-UPJWGTAASA-N 0 0 306.428 0.435 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246508643 545965172 /nfs/dbraw/zinc/96/51/72/545965172.db2.gz SPQYNVUERDJXIM-UPJWGTAASA-N 0 0 321.381 0.182 10 0 DCAERN Cc1noc([C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000332761026 546059367 /nfs/dbraw/zinc/05/93/67/546059367.db2.gz RKICNQPQJPRVFT-ZMLRMANQSA-N 0 0 309.370 0.554 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000332783675 546060423 /nfs/dbraw/zinc/06/04/23/546060423.db2.gz LKZNTYJNUJGQJE-USZNOCQGSA-N 0 0 309.370 0.464 10 0 DCAERN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000332866937 546064256 /nfs/dbraw/zinc/06/42/56/546064256.db2.gz KYYXENDVVGSRGP-GWCFXTLKSA-N 0 0 311.382 0.496 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000332910587 546066074 /nfs/dbraw/zinc/06/60/74/546066074.db2.gz WWMPKDUEIFVXMO-UONOGXRCSA-N 0 0 307.398 0.388 10 0 DCAERN C[C@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333318848 546077197 /nfs/dbraw/zinc/07/71/97/546077197.db2.gz AQWXPNALLRCLHY-DEQVHRJGSA-N 0 0 308.382 0.662 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NC[C@@H]1CCCC[C@@H]1O)CCCC2 ZINC000333538953 546084067 /nfs/dbraw/zinc/08/40/67/546084067.db2.gz KSIUHYURCMKPBI-AAEUAGOBSA-N 0 0 307.394 0.804 10 0 DCAERN CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000347650991 546151261 /nfs/dbraw/zinc/15/12/61/546151261.db2.gz OTCXJBNGWFMSJL-MCIONIFRSA-N 0 0 310.394 0.698 10 0 DCAERN CNc1ncnc2cc(C(=O)NC[C@H]3CN(C)CCO3)ccc21 ZINC000667605260 546627281 /nfs/dbraw/zinc/62/72/81/546627281.db2.gz CHQIOQKDCSKZOW-LBPRGKRZSA-N 0 0 315.377 0.732 10 0 DCAERN CS(=O)(=O)c1cnn(C[C@H](C(=N)NO)C(F)(F)F)c1 ZINC000725252348 548749531 /nfs/dbraw/zinc/74/95/31/548749531.db2.gz RDWLVOWGBYGETG-ZCFIWIBFSA-N 0 0 300.262 0.421 10 0 DCAERN CC(C)(O)c1cn(CCOC2CCS(=O)(=O)CC2)nn1 ZINC000725270580 548750121 /nfs/dbraw/zinc/75/01/21/548750121.db2.gz PUXWSRDZZGRQFQ-UHFFFAOYSA-N 0 0 303.384 0.099 10 0 DCAERN CNC(=O)COC(=O)c1cnn2cc(Br)cnc12 ZINC000094161484 660959533 /nfs/dbraw/zinc/95/95/33/660959533.db2.gz PXQOMLVOCMXMOC-UHFFFAOYSA-N 0 0 313.111 0.395 10 0 DCAERN Cn1cc(C(C)(C)C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cn1 ZINC000888094562 661161771 /nfs/dbraw/zinc/16/17/71/661161771.db2.gz BMJLDLUXXYRFPX-CHWSQXEVSA-N 0 0 307.394 0.744 10 0 DCAERN CCc1[nH]ccc1C(=O)NCc1nc([C@@H]2COCCN2C)n[nH]1 ZINC000888094843 661162871 /nfs/dbraw/zinc/16/28/71/661162871.db2.gz DWWZWQLDGMDSHA-LBPRGKRZSA-N 0 0 318.381 0.628 10 0 DCAERN CO[C@@H](C)c1nc(C)c(C(=O)NCCS(C)(=O)=O)s1 ZINC000176030350 657459102 /nfs/dbraw/zinc/45/91/02/657459102.db2.gz VMBLYDUXLHENLU-QMMMGPOBSA-N 0 0 306.409 0.933 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC[C@@H]1C(N)=O ZINC000255095753 657469048 /nfs/dbraw/zinc/46/90/48/657469048.db2.gz NQWSMBDNHQYDHC-ZYHUDNBSSA-N 0 0 305.382 0.164 10 0 DCAERN CC[C@H]1CN(CCS(=O)(=O)C(C)C)CCN1CCOC ZINC000178222830 657576668 /nfs/dbraw/zinc/57/66/68/657576668.db2.gz MWGQMRSRBNNDJH-AWEZNQCLSA-N 0 0 306.472 0.852 10 0 DCAERN COC(=O)[C@@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255140823 657762448 /nfs/dbraw/zinc/76/24/48/657762448.db2.gz CPKYNQGKVRLKMZ-NWDGAFQWSA-N 0 0 322.409 0.955 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)N1CCc2sccc2C1 ZINC000725022046 658025217 /nfs/dbraw/zinc/02/52/17/658025217.db2.gz LKTJXJAEWPZWIL-NSHDSACASA-N 0 0 314.432 0.410 10 0 DCAERN Cc1nc(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)oc1C ZINC000255430926 658062330 /nfs/dbraw/zinc/06/23/30/658062330.db2.gz TWOZNVAVMAZWLY-WAYWQWQTSA-N 0 0 319.317 0.445 10 0 DCAERN CO[C@@H]1CC[C@H]1N(C)C(=O)c1c(Br)nnn1C ZINC000724220036 658066206 /nfs/dbraw/zinc/06/62/06/658066206.db2.gz RGGAIVLYGVRRNS-RNFRBKRXSA-N 0 0 303.160 0.827 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N(C)CCS(N)(=O)=O ZINC000725072855 658111285 /nfs/dbraw/zinc/11/12/85/658111285.db2.gz QCZSBCFGHNCQSV-UHFFFAOYSA-N 0 0 312.438 0.274 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721587953 658173918 /nfs/dbraw/zinc/17/39/18/658173918.db2.gz NCVBCAMOGOHXNO-WUHRBBMRSA-N 0 0 305.440 0.982 10 0 DCAERN CC[C@H]1CC(=O)N(CN2CCN(c3nccc(OC)n3)CC2)C1 ZINC000176938404 658341443 /nfs/dbraw/zinc/34/14/43/658341443.db2.gz HNTSGHIOLSTWDG-ZDUSSCGKSA-N 0 0 319.409 0.823 10 0 DCAERN CC[C@@H]1CC(=O)N(CN2CCN(c3nccc(OC)n3)CC2)C1 ZINC000176938390 658342122 /nfs/dbraw/zinc/34/21/22/658342122.db2.gz HNTSGHIOLSTWDG-CYBMUJFWSA-N 0 0 319.409 0.823 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000179414310 658495850 /nfs/dbraw/zinc/49/58/50/658495850.db2.gz KXPBVWRCDOYLSZ-NWDGAFQWSA-N 0 0 304.481 0.750 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255056146 658578035 /nfs/dbraw/zinc/57/80/35/658578035.db2.gz AHFLSLZJEXDJPI-NWDGAFQWSA-N 0 0 321.425 0.528 10 0 DCAERN O=S1(=O)CCC[C@H]1CNCc1nc(Br)c[nH]1 ZINC000309297704 658677860 /nfs/dbraw/zinc/67/78/60/658677860.db2.gz XKVWSSNKCJUATF-ZETCQYMHSA-N 0 0 308.201 0.839 10 0 DCAERN NCc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000262192287 658738532 /nfs/dbraw/zinc/73/85/32/658738532.db2.gz JTHUCDMGKNVRJF-CQSZACIVSA-N 0 0 317.393 0.380 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2c(c1)CCO2 ZINC000725759253 658753290 /nfs/dbraw/zinc/75/32/90/658753290.db2.gz OOVFZOJKUTXULO-UHFFFAOYSA-N 0 0 324.402 0.777 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC=C2C(=O)NC(=O)c3ccccc32)C1 ZINC000255066785 658760236 /nfs/dbraw/zinc/76/02/36/658760236.db2.gz CQFDORWCTXBPNC-NINOGWQASA-N 0 0 313.357 0.931 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(N)ccc2C)C1 ZINC000312429829 659291648 /nfs/dbraw/zinc/29/16/48/659291648.db2.gz BBOLQYZPBBGFJS-RYUDHWBXSA-N 0 0 300.380 0.348 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000191490025 659394428 /nfs/dbraw/zinc/39/44/28/659394428.db2.gz HRGQOFFSJQFIOS-UHFFFAOYSA-N 0 0 308.250 0.464 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000194077003 659477160 /nfs/dbraw/zinc/47/71/60/659477160.db2.gz SDWZVJUPFKBVHU-FXMSTWTQSA-N 0 0 305.309 0.975 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000194169156 659482918 /nfs/dbraw/zinc/48/29/18/659482918.db2.gz QVIJLGKNIFPHKH-RKDXNWHRSA-N 0 0 300.309 0.922 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(CCO)[C@H](C)C2)[nH]1 ZINC000333240496 659777358 /nfs/dbraw/zinc/77/73/58/659777358.db2.gz IKNAMQRWDPPXSC-SNVBAGLBSA-N 0 0 303.366 0.405 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000126129722 661454241 /nfs/dbraw/zinc/45/42/41/661454241.db2.gz AEOCYRMHCMHNNX-SECBINFHSA-N 0 0 311.338 0.805 10 0 DCAERN Cc1cccc(-c2noc(C[C@@H]3CS(=O)(=O)CCN3)n2)n1 ZINC000126131064 661455313 /nfs/dbraw/zinc/45/53/13/661455313.db2.gz WIFDMWDVZSQYKU-SNVBAGLBSA-N 0 0 308.363 0.369 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cccc2c1oc(=O)n2C ZINC000338013060 661528762 /nfs/dbraw/zinc/52/87/62/661528762.db2.gz BLTUVHAHDWYQKG-NSHDSACASA-N 0 0 321.358 0.991 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCO[C@H](C)C1 ZINC000248887315 661535267 /nfs/dbraw/zinc/53/52/67/661535267.db2.gz YBOLKUZQDRRSMB-COMQUAJESA-N 0 0 310.394 0.507 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000222651106 661625943 /nfs/dbraw/zinc/62/59/43/661625943.db2.gz DZBHMZGSQFTUBU-AWEZNQCLSA-N 0 0 302.378 0.301 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCCCCC1 ZINC000726150126 661652289 /nfs/dbraw/zinc/65/22/89/661652289.db2.gz AGPLVUALRQYTQE-GFCCVEGCSA-N 0 0 314.407 0.854 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)O[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000726328915 661656345 /nfs/dbraw/zinc/65/63/45/661656345.db2.gz VERIDPOFABJTEK-SNVBAGLBSA-N 0 0 314.363 0.551 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000338953154 661809447 /nfs/dbraw/zinc/80/94/47/661809447.db2.gz QZTMSMFRUBMVID-LBPRGKRZSA-N 0 0 323.374 0.411 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC(C2OCCO2)CC1 ZINC000182462440 665821737 /nfs/dbraw/zinc/82/17/37/665821737.db2.gz KGXPELAAIYEQBO-UHFFFAOYSA-N 0 0 309.370 0.463 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)OC(C)(C)C ZINC000337567774 662053876 /nfs/dbraw/zinc/05/38/76/662053876.db2.gz ASQKRJSGARCIKS-SNVBAGLBSA-N 0 0 302.396 0.708 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@@H](C2OCCO2)C1 ZINC000182476741 665827276 /nfs/dbraw/zinc/82/72/76/665827276.db2.gz ZNWMNAOXEHTOKP-GFCCVEGCSA-N 0 0 309.370 0.463 10 0 DCAERN CC[C@H](OC(=O)c1cccc(S(=O)(=O)NC)c1)C(N)=O ZINC000726991209 662079924 /nfs/dbraw/zinc/07/99/24/662079924.db2.gz YVVKMDOADIHZMG-JTQLQIEISA-N 0 0 300.336 0.015 10 0 DCAERN CCc1n[nH]cc1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000727111146 662138885 /nfs/dbraw/zinc/13/88/85/662138885.db2.gz VPCCXMCVSVTQKN-UHFFFAOYSA-N 0 0 322.390 0.691 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000728073419 662341629 /nfs/dbraw/zinc/34/16/29/662341629.db2.gz UDICXCRVXOGKPX-NEPJUHHUSA-N 0 0 314.407 0.519 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000342961277 662636539 /nfs/dbraw/zinc/63/65/39/662636539.db2.gz HCHOKPDNZYZXJT-LLVKDONJSA-N 0 0 308.338 0.984 10 0 DCAERN CC[S@](=O)CCNC(=O)Cc1nnc(-c2ccccc2)n1C ZINC000739580594 662893770 /nfs/dbraw/zinc/89/37/70/662893770.db2.gz RDRGOVAOLIYTMM-QFIPXVFZSA-N 0 0 320.418 0.909 10 0 DCAERN CCN(CC)C(=O)COC(=O)COc1ccccc1C(N)=O ZINC000729927509 662912335 /nfs/dbraw/zinc/91/23/35/662912335.db2.gz NHYSRMMDBFCYJZ-UHFFFAOYSA-N 0 0 308.334 0.576 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000730100103 663044295 /nfs/dbraw/zinc/04/42/95/663044295.db2.gz MHXGORSRYNNTCH-UHFFFAOYSA-N 0 0 300.384 0.445 10 0 DCAERN CC[C@H](O)[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000907575496 663706253 /nfs/dbraw/zinc/70/62/53/663706253.db2.gz CBRWFCQAHSEHLR-UPJWGTAASA-N 0 0 321.425 0.499 10 0 DCAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CCNC(=O)CO ZINC000908108243 663734053 /nfs/dbraw/zinc/73/40/53/663734053.db2.gz NMHUFQSIFUIPRE-WWGRRREGSA-N 0 0 312.410 0.417 10 0 DCAERN O=C(Cc1cn2ccccc2n1)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909160372 663782786 /nfs/dbraw/zinc/78/27/86/663782786.db2.gz ZYFLPGAVXRYXOT-XJKCOSOUSA-N 0 0 311.345 0.564 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc(C(F)(F)F)n[nH]1 ZINC000909187302 663784588 /nfs/dbraw/zinc/78/45/88/663784588.db2.gz SWGJHAPMOZFMCM-GTNGPMTGSA-N 0 0 315.255 0.729 10 0 DCAERN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909190442 663786022 /nfs/dbraw/zinc/78/60/22/663786022.db2.gz OMKFDIYEQXHLIM-MBNYWOFBSA-N 0 0 301.350 0.598 10 0 DCAERN C/C(=C/C(=O)N1CC[C@H](n2ccnn2)C1)CN1CCOCC1 ZINC000911823590 664112792 /nfs/dbraw/zinc/11/27/92/664112792.db2.gz QZIXBKXCVVEEOE-ZVHGMHCTSA-N 0 0 305.382 0.330 10 0 DCAERN Cc1ccccc1-n1cc(C(=O)N2CCOC[C@@H]2CO)nn1 ZINC000912413997 664168358 /nfs/dbraw/zinc/16/83/58/664168358.db2.gz JLVZVYMHOGDMGG-LBPRGKRZSA-N 0 0 302.334 0.409 10 0 DCAERN CC(C)(CNC(=O)CN1CCCC[C@@H](O)C1=O)n1cccn1 ZINC000912624754 664192861 /nfs/dbraw/zinc/19/28/61/664192861.db2.gz ALCLOIDYPYOHTQ-GFCCVEGCSA-N 0 0 308.382 0.108 10 0 DCAERN CC(C)(CNC(=O)CN1CCCC[C@H](O)C1=O)n1ccnc1 ZINC000912615051 664197293 /nfs/dbraw/zinc/19/72/93/664197293.db2.gz UEORGLNBDWOOGX-LBPRGKRZSA-N 0 0 308.382 0.108 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NCC12COCCN1CCOC2 ZINC000913300120 664297144 /nfs/dbraw/zinc/29/71/44/664297144.db2.gz VXNJKCKKQCHSCB-KBPBESRZSA-N 0 0 312.410 0.265 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)NCC12COCCN1CCOC2 ZINC000913300123 664297236 /nfs/dbraw/zinc/29/72/36/664297236.db2.gz VXNJKCKKQCHSCB-ZIAGYGMSSA-N 0 0 312.410 0.265 10 0 DCAERN O=C(NCCO)[C@@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222673438 664386161 /nfs/dbraw/zinc/38/61/61/664386161.db2.gz OMJWSPKHJPGVEC-GFCCVEGCSA-N 0 0 315.329 0.523 10 0 DCAERN CN(C)c1nc2ccccc2n(CCC(=O)NCCCO)c1=O ZINC000222866524 664392291 /nfs/dbraw/zinc/39/22/91/664392291.db2.gz NPMYBPFQHOBEHU-UHFFFAOYSA-N 0 0 318.377 0.351 10 0 DCAERN Cc1nccn1CCCNC(=O)Cc1nc(C)n(C)c(=O)c1C ZINC000222928889 664395685 /nfs/dbraw/zinc/39/56/85/664395685.db2.gz OVDMWVZFGCLKRC-UHFFFAOYSA-N 0 0 317.393 0.651 10 0 DCAERN NC(=O)CNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223405055 664408510 /nfs/dbraw/zinc/40/85/10/664408510.db2.gz XXOGOTGTJBOPJO-ZDUSSCGKSA-N 0 0 314.345 0.260 10 0 DCAERN COC(=O)C1CCN(C(=O)c2nn3c(c2C)OCCC3)CC1 ZINC000223771947 664422967 /nfs/dbraw/zinc/42/29/67/664422967.db2.gz LQRXHOVCJOAGII-UHFFFAOYSA-N 0 0 307.350 0.999 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N[C@@H]1CCc2ncnn2C1 ZINC000188379341 664438046 /nfs/dbraw/zinc/43/80/46/664438046.db2.gz VKEKJMOJLWDMIT-SNVBAGLBSA-N 0 0 300.366 0.554 10 0 DCAERN COC(=O)c1cn(CN2CCN(c3ccccc3F)CC2)nn1 ZINC000046072863 664481198 /nfs/dbraw/zinc/48/11/98/664481198.db2.gz XLDPKKQGBQVCIK-UHFFFAOYSA-N 0 0 319.340 0.984 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)c1nccnc1N)[C@H]2C ZINC000440156123 664505491 /nfs/dbraw/zinc/50/54/91/664505491.db2.gz OEGZSFUPOOLFNR-VIFPVBQESA-N 0 0 301.354 0.991 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2cc(C=O)c[nH]2)cc1 ZINC000170234932 664574872 /nfs/dbraw/zinc/57/48/72/664574872.db2.gz RDCRYXOMLSUOMF-UHFFFAOYSA-N 0 0 307.331 0.405 10 0 DCAERN Cc1cc(C)n(CCOC(=O)CCC(=O)N2CCOCC2)n1 ZINC000170727997 664588727 /nfs/dbraw/zinc/58/87/27/664588727.db2.gz OUIFQYZDRFJUEZ-UHFFFAOYSA-N 0 0 309.366 0.682 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)OCCn1c2ccccc2oc1=O ZINC000171228700 664605227 /nfs/dbraw/zinc/60/52/27/664605227.db2.gz ADIIDEBDKRPRIM-UWVGGRQHSA-N 0 0 305.286 0.947 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCCCN1CCOC1=O ZINC000074802709 664612157 /nfs/dbraw/zinc/61/21/57/664612157.db2.gz ZDKKRPVOGSRSMU-UHFFFAOYSA-N 0 0 302.356 0.147 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(Cl)nc2)C1 ZINC000172048732 664615154 /nfs/dbraw/zinc/61/51/54/664615154.db2.gz XCCXDNWHINFTKN-VIFPVBQESA-N 0 0 318.786 0.890 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)c1ccc(F)cc1 ZINC000172401822 664621042 /nfs/dbraw/zinc/62/10/42/664621042.db2.gz VJJPUTOGESJAIO-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN CC(C)CCn1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000172669084 664623905 /nfs/dbraw/zinc/62/39/05/664623905.db2.gz UCRBDHKVUPTTDW-SNVBAGLBSA-N 0 0 301.368 0.668 10 0 DCAERN O=C1CC[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)N1 ZINC000311771743 664676510 /nfs/dbraw/zinc/67/65/10/664676510.db2.gz XTDMKWWMHOGGSH-LURJTMIESA-N 0 0 307.734 0.431 10 0 DCAERN O=c1c2nccnc2ncn1Cc1ccc(-n2cncn2)cc1 ZINC000032553398 664679644 /nfs/dbraw/zinc/67/96/44/664679644.db2.gz KXBDSSZYFKUSQV-UHFFFAOYSA-N 0 0 305.301 0.816 10 0 DCAERN O=c1ccc2ccc(OC[C@H](O)CN3CCOCC3)cc2o1 ZINC000153022129 664787406 /nfs/dbraw/zinc/78/74/06/664787406.db2.gz DSEVUJLVGDAOEW-CYBMUJFWSA-N 0 0 305.330 0.865 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000153592461 664896982 /nfs/dbraw/zinc/89/69/82/664896982.db2.gz ZWWWEPIIRPGRNU-NSHDSACASA-N 0 0 308.313 0.286 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000153664366 664932565 /nfs/dbraw/zinc/93/25/65/664932565.db2.gz BMZDNFCUTSMVTI-AWEZNQCLSA-N 0 0 301.346 0.896 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NN1Cc2ccccc2C1=O ZINC000183828452 666120577 /nfs/dbraw/zinc/12/05/77/666120577.db2.gz UZNSKPMFXBTDDQ-UHFFFAOYSA-N 0 0 310.313 0.499 10 0 DCAERN COCCN1CCN(C(=O)NCCc2ccnn2C)C[C@H]1C ZINC000185006076 666317986 /nfs/dbraw/zinc/31/79/86/666317986.db2.gz XCVLHVHNMNXMJG-CYBMUJFWSA-N 0 0 309.414 0.325 10 0 DCAERN CNC(=O)CC(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000185018852 666321477 /nfs/dbraw/zinc/32/14/77/666321477.db2.gz FUVLIDQOCMPBLF-UHFFFAOYSA-N 0 0 304.133 0.891 10 0 DCAERN NCC(F)(F)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000186992820 666667953 /nfs/dbraw/zinc/66/79/53/666667953.db2.gz URXCPTWNBOBGMX-UHFFFAOYSA-N 0 0 324.740 0.860 10 0 DCAERN C[C@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CCC1=O ZINC000701202323 666818241 /nfs/dbraw/zinc/81/82/41/666818241.db2.gz WCJBGVSPPKBJEU-VHSXEESVSA-N 0 0 305.421 0.344 10 0 DCAERN C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@@H](C)C1=O ZINC000701205239 666818910 /nfs/dbraw/zinc/81/89/10/666818910.db2.gz CKLSIESXXBSKFU-MXWKQRLJSA-N 0 0 319.448 0.590 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000733882590 666823644 /nfs/dbraw/zinc/82/36/44/666823644.db2.gz OWKVBQFMSAQGQZ-QFIPXVFZSA-N 0 0 319.386 0.731 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880006 666823865 /nfs/dbraw/zinc/82/38/65/666823865.db2.gz RSAVJUUUFJQTFJ-QKVFXAPYSA-N 0 0 308.403 0.924 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000733882244 666823886 /nfs/dbraw/zinc/82/38/86/666823886.db2.gz LAUKAIWNNOJNHY-NRFANRHFSA-N 0 0 324.324 0.752 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000733900046 666824950 /nfs/dbraw/zinc/82/49/50/666824950.db2.gz RUZGQDFTNNDSFN-LJQANCHMSA-N 0 0 318.420 0.692 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000733963902 666832626 /nfs/dbraw/zinc/83/26/26/666832626.db2.gz YTSVAFKVZONKOQ-IBGZPJMESA-N 0 0 318.420 0.557 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000733962650 666832646 /nfs/dbraw/zinc/83/26/46/666832646.db2.gz MTGDZNDVTGUQPY-QKVFXAPYSA-N 0 0 311.407 0.671 10 0 DCAERN COC[C@@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000735008153 666934835 /nfs/dbraw/zinc/93/48/35/666934835.db2.gz GZUDDAIVEGDKKU-CYBMUJFWSA-N 0 0 317.345 0.202 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1cccc(C(=O)NC)c1 ZINC000735108518 666947362 /nfs/dbraw/zinc/94/73/62/666947362.db2.gz AAUJKYOHMSGDDO-NRFANRHFSA-N 0 0 311.407 0.614 10 0 DCAERN CCS(=O)(=O)CCN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000118398224 666949165 /nfs/dbraw/zinc/94/91/65/666949165.db2.gz AHKCJSFHVVPMFW-LLVKDONJSA-N 0 0 316.427 0.491 10 0 DCAERN CCOC(=O)N1CCC(NC(=O)NCC[S@@](=O)CC)CC1 ZINC000735109661 666949645 /nfs/dbraw/zinc/94/96/45/666949645.db2.gz DYOFSJLJKFOXHB-NRFANRHFSA-N 0 0 319.427 0.675 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC1CCN(C(=O)OC)CC1 ZINC000735097650 666951631 /nfs/dbraw/zinc/95/16/31/666951631.db2.gz VFEYSVACHFHOPU-HXUWFJFHSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)NC1CCN(CC(F)F)CC1 ZINC000735101142 666952133 /nfs/dbraw/zinc/95/21/33/666952133.db2.gz YGCCIJGCSSTQTM-FQEVSTJZSA-N 0 0 311.398 0.784 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000735101497 666952821 /nfs/dbraw/zinc/95/28/21/666952821.db2.gz QEBLXTSLEKDQEE-GOSISDBHSA-N 0 0 312.457 0.268 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)c1cccc(OC)c1 ZINC000735110910 666954503 /nfs/dbraw/zinc/95/45/03/666954503.db2.gz OPAIVLASRAYRPW-ASSNKEHSSA-N 0 0 314.407 0.796 10 0 DCAERN CO[C@@](C)(CO)CNC(=O)c1ccc(Br)nc1 ZINC000702518129 666964207 /nfs/dbraw/zinc/96/42/07/666964207.db2.gz QOEOSJWYQSEKAJ-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000735199236 666966318 /nfs/dbraw/zinc/96/63/18/666966318.db2.gz MOOIFALWIOIEEZ-JOCHJYFZSA-N 0 0 324.402 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000735198702 666966338 /nfs/dbraw/zinc/96/63/38/666966338.db2.gz FSEUFRVZNUXDDN-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000735198324 666966416 /nfs/dbraw/zinc/96/64/16/666966416.db2.gz HDLMEIGGWFJTIE-KPWVOAKYSA-N 0 0 324.402 0.685 10 0 DCAERN COCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815876 666998961 /nfs/dbraw/zinc/99/89/61/666998961.db2.gz QHTOZVNAMUDNOX-NEPJUHHUSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNCc2csnn2)C1 ZINC000702838551 667002467 /nfs/dbraw/zinc/00/24/67/667002467.db2.gz LYAKIBOVJFRIJJ-ONGXEEELSA-N 0 0 314.411 0.856 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)cc2N)C1 ZINC000703016997 667029923 /nfs/dbraw/zinc/02/99/23/667029923.db2.gz XLKULASLVWMPLB-VIFPVBQESA-N 0 0 301.343 0.172 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cnn(-c2ccccc2)n1 ZINC000119014203 667067056 /nfs/dbraw/zinc/06/70/56/667067056.db2.gz JQBYQYKZWUTKEG-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C3CC3)n[nH]2)cn1 ZINC000862925812 667093510 /nfs/dbraw/zinc/09/35/10/667093510.db2.gz RHEJPRIFIJWEGM-UONOGXRCSA-N 0 0 317.349 0.597 10 0 DCAERN C[C@]1(CO)C[C@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000704157999 667192027 /nfs/dbraw/zinc/19/20/27/667192027.db2.gz FWIHAYXXUMILJQ-GXTWGEPZSA-N 0 0 305.440 0.552 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CSc1nnnn1C1CC1 ZINC000706302105 667411958 /nfs/dbraw/zinc/41/19/58/667411958.db2.gz SZMBEDRLFCAMDN-ZETCQYMHSA-N 0 0 301.372 0.224 10 0 DCAERN CC(=O)C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000707848095 667441928 /nfs/dbraw/zinc/44/19/28/667441928.db2.gz QLWYEBIRJQXHRG-GFCCVEGCSA-N 0 0 302.396 0.238 10 0 DCAERN C[C@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)N1CCCC1 ZINC000708221794 667442329 /nfs/dbraw/zinc/44/23/29/667442329.db2.gz SPJCJJQSAZTDIP-JTQLQIEISA-N 0 0 302.396 0.428 10 0 DCAERN CN(Cc1ccc(Cl)nc1)S(=O)(=O)N1CCOCC1 ZINC000074179729 667487597 /nfs/dbraw/zinc/48/75/97/667487597.db2.gz HSGLASIVJCIRNL-UHFFFAOYSA-N 0 0 305.787 0.744 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Br)cnc1F ZINC000717296646 667537869 /nfs/dbraw/zinc/53/78/69/667537869.db2.gz FDJMJUHVYBJSML-XRGYYRRGSA-N 0 0 307.119 0.455 10 0 DCAERN C[C@@H]1c2sccc2CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000712287016 667626751 /nfs/dbraw/zinc/62/67/51/667626751.db2.gz XGZSGNUCGBKVET-ZYHUDNBSSA-N 0 0 316.448 0.985 10 0 DCAERN O=C(CN1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000136148677 667696828 /nfs/dbraw/zinc/69/68/28/667696828.db2.gz GTPAMBFNVPVAPG-LSDHHAIUSA-N 0 0 324.421 0.995 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@](F)(CO)C2)c1 ZINC000886039172 667726817 /nfs/dbraw/zinc/72/68/17/667726817.db2.gz OCZPVKBHPZFERZ-MJSXRHKHSA-N 0 0 321.352 0.777 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)o1 ZINC000886084789 667730095 /nfs/dbraw/zinc/73/00/95/667730095.db2.gz HHGYWSAQBQPPAK-OAHLLOKOSA-N 0 0 304.350 0.926 10 0 DCAERN COC1(CC(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)CCC1 ZINC000886084846 667730352 /nfs/dbraw/zinc/73/03/52/667730352.db2.gz LGFXGINTULBAEB-OAHLLOKOSA-N 0 0 322.409 0.670 10 0 DCAERN CCn1nc(C)c(CN2CCC[C@](O)(Cc3nc(C)no3)C2)n1 ZINC000886091738 667730847 /nfs/dbraw/zinc/73/08/47/667730847.db2.gz PRKUQOJPCJYTLG-HNNXBMFYSA-N 0 0 320.397 0.867 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)Cc1ccc(Br)cc1 ZINC000717381238 667735878 /nfs/dbraw/zinc/73/58/78/667735878.db2.gz XHUOHLJMJWMTQK-KCJUWKMLSA-N 0 0 302.168 0.850 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCOC[C@@H]1CCCO1 ZINC000741075978 667758126 /nfs/dbraw/zinc/75/81/26/667758126.db2.gz MAKSMBBAHWKPOS-YUNKPMOVSA-N 0 0 306.428 0.640 10 0 DCAERN Cn1cc(C(=O)COC(=O)C(=O)c2cnn(C(C)(C)C)c2)cn1 ZINC000741322638 667767608 /nfs/dbraw/zinc/76/76/08/667767608.db2.gz UBSAGTFARZLYOE-UHFFFAOYSA-N 0 0 318.333 0.980 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000741422638 667770856 /nfs/dbraw/zinc/77/08/56/667770856.db2.gz KWOQNHSPCXXSMW-JOCHJYFZSA-N 0 0 322.394 0.861 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cccc(-n2cnnn2)c1C ZINC000741423668 667770911 /nfs/dbraw/zinc/77/09/11/667770911.db2.gz HJFLZOAQEPFNCS-QFIPXVFZSA-N 0 0 322.394 0.861 10 0 DCAERN CC(C)COCCC(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000742178994 667782581 /nfs/dbraw/zinc/78/25/81/667782581.db2.gz JCVQYUNTWPNSJE-LBPRGKRZSA-N 0 0 309.453 0.995 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@H](O)[C@@H](C)O ZINC000717414155 667789797 /nfs/dbraw/zinc/78/97/97/667789797.db2.gz TZHYKTCCAUPICE-XCBNKYQSSA-N 0 0 318.167 0.929 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000743168180 667804538 /nfs/dbraw/zinc/80/45/38/667804538.db2.gz BKMVJWATDPERMM-NRFANRHFSA-N 0 0 312.395 0.674 10 0 DCAERN C[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(N)=O ZINC000037555823 667869644 /nfs/dbraw/zinc/86/96/44/667869644.db2.gz MBGBHJDCLVMTEH-ZCFIWIBFSA-N 0 0 302.743 0.140 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187299904 668253041 /nfs/dbraw/zinc/25/30/41/668253041.db2.gz CUJOBSKAYVOENP-SECBINFHSA-N 0 0 315.464 0.808 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1F ZINC000126458084 668598430 /nfs/dbraw/zinc/59/84/30/668598430.db2.gz CYNNBKWXUMCOAU-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN CN(C(=O)C[C@@H]1CS(=O)(=O)CCN1)C1CCCCCC1 ZINC000126504585 668615354 /nfs/dbraw/zinc/61/53/54/668615354.db2.gz QGYZIDQERFRYLQ-GFCCVEGCSA-N 0 0 302.440 0.944 10 0 DCAERN COc1cccc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126552024 668622642 /nfs/dbraw/zinc/62/26/42/668622642.db2.gz REJMBLCDQWNVRM-GFCCVEGCSA-N 0 0 312.391 0.088 10 0 DCAERN C[C@@H](Cc1ccsc1)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126688990 668645537 /nfs/dbraw/zinc/64/55/37/668645537.db2.gz VBCJSALBLCRCMS-JQWIXIFHSA-N 0 0 316.448 0.572 10 0 DCAERN Cc1cccc(CCNC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126730888 668651881 /nfs/dbraw/zinc/65/18/81/668651881.db2.gz VTCXENFLEYIGHT-AWEZNQCLSA-N 0 0 310.419 0.430 10 0 DCAERN CCC1(C)CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126758582 668654188 /nfs/dbraw/zinc/65/41/88/668654188.db2.gz ZMAMZCXUCVMBEH-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN COC[C@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C1CC1 ZINC000132495778 669729104 /nfs/dbraw/zinc/72/91/04/669729104.db2.gz GULMPHXCLFBLSU-ZDUSSCGKSA-N 0 0 318.329 0.658 10 0 DCAERN COc1cccc([C@H](O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000158977797 669932106 /nfs/dbraw/zinc/93/21/06/669932106.db2.gz GMBYUVRPTJADFJ-WFASDCNBSA-N 0 0 308.378 0.566 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1ccccn1)c1nnnn1C1CC1 ZINC000191643180 670077565 /nfs/dbraw/zinc/07/75/65/670077565.db2.gz NQVZZDYBJVCMBC-SECBINFHSA-N 0 0 315.337 0.010 10 0 DCAERN CN(CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCCO1 ZINC000076297546 670118746 /nfs/dbraw/zinc/11/87/46/670118746.db2.gz BGTIECMKBTXEAX-AWEZNQCLSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000713910509 670169038 /nfs/dbraw/zinc/16/90/38/670169038.db2.gz FPIDCVXNOPUTSB-UHFFFAOYSA-N 0 0 323.440 0.470 10 0 DCAERN O=C(C[C@H]1CCCOC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000192466384 670171718 /nfs/dbraw/zinc/17/17/18/670171718.db2.gz RILOBUFYDJIUBZ-CABCVRRESA-N 0 0 324.421 0.901 10 0 DCAERN CSc1ccc(C(=O)NCC2(S(N)(=O)=O)CC2)cc1 ZINC000713969009 670172712 /nfs/dbraw/zinc/17/27/12/670172712.db2.gz UDBHXRKRWSWSRW-UHFFFAOYSA-N 0 0 300.405 0.959 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000714291661 670183488 /nfs/dbraw/zinc/18/34/88/670183488.db2.gz QQXFJDAKPQEZNF-UHFFFAOYSA-N 0 0 303.771 0.220 10 0 DCAERN COC(=O)C1(O)CN(c2nccc(C)c2Br)C1 ZINC000714462783 670188861 /nfs/dbraw/zinc/18/88/61/670188861.db2.gz QYKRFTYAYPGOKD-UHFFFAOYSA-N 0 0 301.140 0.877 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@H]1COCCN1 ZINC000714942478 670196877 /nfs/dbraw/zinc/19/68/77/670196877.db2.gz FGISCRJCFOEEPF-ZCFIWIBFSA-N 0 0 306.185 0.510 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036818054 670197715 /nfs/dbraw/zinc/19/77/15/670197715.db2.gz AZOHESWTZINWRJ-MLRMMBSGSA-N 0 0 319.766 0.764 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCCC2CC2)C1 ZINC000714973092 670199685 /nfs/dbraw/zinc/19/96/85/670199685.db2.gz CANQRAVJVQYABB-LLVKDONJSA-N 0 0 310.441 0.259 10 0 DCAERN CCO[C@H]1C[C@H]1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000193180694 670250487 /nfs/dbraw/zinc/25/04/87/670250487.db2.gz MFDRXBSYLJWGCE-ONGXEEELSA-N 0 0 306.322 0.098 10 0 DCAERN C[C@@H](NC(=O)Cn1c2ccccc2nc1[C@H](C)O)C(=O)N(C)C ZINC000193793637 670349447 /nfs/dbraw/zinc/34/94/47/670349447.db2.gz LNBLJMKYALVMDE-MNOVXSKESA-N 0 0 318.377 0.683 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1 ZINC000080736959 670375603 /nfs/dbraw/zinc/37/56/03/670375603.db2.gz LWOZRRGWABTDNH-LLVKDONJSA-N 0 0 315.395 0.677 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)CN1CCCCC1=O ZINC000194589125 670442627 /nfs/dbraw/zinc/44/26/27/670442627.db2.gz WXDVSMKVYRDMSJ-ZDUSSCGKSA-N 0 0 306.362 0.857 10 0 DCAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)[C@H]1CNC(=O)C1 ZINC000194822050 670457677 /nfs/dbraw/zinc/45/76/77/670457677.db2.gz CXXJKUARNISDOE-CYBMUJFWSA-N 0 0 315.373 0.956 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@@H](c3nc(C)cs3)C2)nn1 ZINC000195294096 670479434 /nfs/dbraw/zinc/47/94/34/670479434.db2.gz FUUOFUOVKAWAEQ-LLVKDONJSA-N 0 0 323.378 0.861 10 0 DCAERN O=C([C@H]1CSCCS1)N1CCN(c2cccnn2)CC1 ZINC000195378880 670487891 /nfs/dbraw/zinc/48/78/91/670487891.db2.gz UXPPEDVPONZXKN-LLVKDONJSA-N 0 0 310.448 0.974 10 0 DCAERN CCOC[C@H](C)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000190754500 670488114 /nfs/dbraw/zinc/48/81/14/670488114.db2.gz OKZQNAFIBRDBPH-JTQLQIEISA-N 0 0 306.318 0.658 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112304730 670580092 /nfs/dbraw/zinc/58/00/92/670580092.db2.gz MIXCGWQTCRSYQT-FVINQWEUSA-N 0 0 320.480 0.961 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112304729 670580605 /nfs/dbraw/zinc/58/06/05/670580605.db2.gz MIXCGWQTCRSYQT-SBKAZYGRSA-N 0 0 320.480 0.961 10 0 DCAERN CS(=O)(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818121314 670975567 /nfs/dbraw/zinc/97/55/67/670975567.db2.gz WGPNHTLDYHUNOT-GFCCVEGCSA-N 0 0 301.368 0.276 10 0 DCAERN COC[C@@]1(C)NC(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258059 671029676 /nfs/dbraw/zinc/02/96/76/671029676.db2.gz NFMUVMNKHZMPKX-XHDPSFHLSA-N 0 0 321.381 0.124 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000110699631 671140532 /nfs/dbraw/zinc/14/05/32/671140532.db2.gz DDILWTPHOLGQNO-JTQLQIEISA-N 0 0 317.436 0.615 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)NCCCN1CCCC1=O ZINC000116968933 671148782 /nfs/dbraw/zinc/14/87/82/671148782.db2.gz ICYWXCJHZSGJAV-OAQYLSRUSA-N 0 0 317.455 0.845 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892829 672247542 /nfs/dbraw/zinc/24/75/42/672247542.db2.gz LYSQWRAMBMYZAD-CQSZACIVSA-N 0 0 315.439 0.717 10 0 DCAERN CO[C@@H]1CN(Cc2nc(CS(C)(=O)=O)no2)CC[C@H]1C ZINC000251895690 1158277119 /nfs/dbraw/zinc/27/71/19/1158277119.db2.gz QOQWASIOCQBONN-NXEZZACHSA-N 0 0 303.384 0.471 10 0 DCAERN O=C(c1cccnc1Br)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396930548 1158343292 /nfs/dbraw/zinc/34/32/92/1158343292.db2.gz OTXIEEZDLBMQHY-WCBMZHEXSA-N 0 0 315.167 0.659 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCC3(C2)OCCO3)cc1C#N ZINC000396504763 685270435 /nfs/dbraw/zinc/27/04/35/685270435.db2.gz LQYBGVRQEDSKJD-UHFFFAOYSA-N 0 0 309.347 0.399 10 0 DCAERN N#Cc1cc(Br)cnc1N1CC[C@H](O)[C@H](CO)C1 ZINC000396809857 685272190 /nfs/dbraw/zinc/27/21/90/685272190.db2.gz OHGCCIWXXYMDFP-ONGXEEELSA-N 0 0 312.167 0.895 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)C1 ZINC000719050379 685307931 /nfs/dbraw/zinc/30/79/31/685307931.db2.gz NRMZDJNPNRMZKV-RYUDHWBXSA-N 0 0 304.412 0.658 10 0 DCAERN CCCNS(=O)(=O)NCc1cn(C)nc1Br ZINC000720102183 685312610 /nfs/dbraw/zinc/31/26/10/685312610.db2.gz WYTRDPOOGUHAPZ-UHFFFAOYSA-N 0 0 311.205 0.517 10 0 DCAERN Cn1cc(CNC(=O)CCn2ccnn2)c(Br)n1 ZINC000720668663 685314967 /nfs/dbraw/zinc/31/49/67/685314967.db2.gz ZVIIVWYSTFBQRN-UHFFFAOYSA-N 0 0 313.159 0.481 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCC[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000720916321 685316859 /nfs/dbraw/zinc/31/68/59/685316859.db2.gz ZEDICQHCRMTMJQ-DGCLKSJQSA-N 0 0 304.412 0.632 10 0 DCAERN CNc1nc(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)cs1 ZINC000720908118 685317140 /nfs/dbraw/zinc/31/71/40/685317140.db2.gz ZEAQAVKGPFZPAY-NSHDSACASA-N 0 0 319.408 0.118 10 0 DCAERN CSCC(=O)NNC(=O)c1cc(Br)cn1C ZINC000053374718 685060271 /nfs/dbraw/zinc/06/02/71/685060271.db2.gz RENOXZQACQXMAB-UHFFFAOYSA-N 0 0 306.185 0.912 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnc(Cl)c(Cl)c1 ZINC000089755626 685100916 /nfs/dbraw/zinc/10/09/16/685100916.db2.gz CEAJKGIFTMWGGW-ZETCQYMHSA-N 0 0 302.117 0.923 10 0 DCAERN O=C(NCC1(CO)COC1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000123149504 685118868 /nfs/dbraw/zinc/11/88/68/685118868.db2.gz ULVDMFKRLPVEND-KBPBESRZSA-N 0 0 306.362 0.825 10 0 DCAERN CC(C)N1C[C@@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)CC1=O ZINC000158256783 685136911 /nfs/dbraw/zinc/13/69/11/685136911.db2.gz UOCXHYTUBHJRTQ-AWEZNQCLSA-N 0 0 321.421 0.714 10 0 DCAERN Cn1cc(/C=C/C(=O)OCC[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000177903579 685150123 /nfs/dbraw/zinc/15/01/23/685150123.db2.gz YSPVEDMBRNYEOY-FYJFLYSWSA-N 0 0 308.334 0.210 10 0 DCAERN COC(=O)C[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000248162594 685174076 /nfs/dbraw/zinc/17/40/76/685174076.db2.gz MMYSYMRXESPJFJ-AAEUAGOBSA-N 0 0 317.349 0.525 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000249813850 685184448 /nfs/dbraw/zinc/18/44/48/685184448.db2.gz JNPSZCDCUCQGJX-RRFJBIMHSA-N 0 0 319.405 0.743 10 0 DCAERN C[C@@H]1SCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)[C@H]1C ZINC000253055834 685186760 /nfs/dbraw/zinc/18/67/60/685186760.db2.gz ALOZEPAAFSQIHP-DCAQKATOSA-N 0 0 306.453 0.116 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cnc(OC)s2)C1 ZINC000380572398 685237578 /nfs/dbraw/zinc/23/75/78/685237578.db2.gz UOKAXYYBDVKNGF-QMMMGPOBSA-N 0 0 320.392 0.725 10 0 DCAERN Cc1nc(S(=O)(=O)NC2(CO)CC2)c(Br)n1C ZINC000383345305 685242659 /nfs/dbraw/zinc/24/26/59/685242659.db2.gz YRPWFVAZFOHFPX-UHFFFAOYSA-N 0 0 324.200 0.294 10 0 DCAERN C[C@@H](O)[C@@H](CO)NC(=O)c1cc(Cl)ncc1Br ZINC000387570013 685252975 /nfs/dbraw/zinc/25/29/75/685252975.db2.gz MQSVSJXWHXLLRA-SVGQVSJJSA-N 0 0 323.574 0.969 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc(Br)cc2N)C(=O)N1 ZINC000393899080 1157893940 /nfs/dbraw/zinc/89/39/40/1157893940.db2.gz FGNWVDJRELALLX-VIFPVBQESA-N 0 0 313.155 0.106 10 0 DCAERN COC(=O)c1sc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)nc1Cl ZINC000388144998 1157939059 /nfs/dbraw/zinc/93/90/59/1157939059.db2.gz GWVVNUAWNXASCZ-SYDPRGILSA-N 0 0 315.738 0.292 10 0 DCAERN CC1(C)C[C@H](O)CCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000395471323 1157952459 /nfs/dbraw/zinc/95/24/59/1157952459.db2.gz XOAXLNUSSSOTSB-SECBINFHSA-N 0 0 300.384 0.061 10 0 DCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000381677908 1158090656 /nfs/dbraw/zinc/09/06/56/1158090656.db2.gz APHHHFXVNDQZEC-MRVPVSSYSA-N 0 0 307.734 0.513 10 0 DCAERN Cc1cc(C)nc(N2CCN(c3c[nH]c(=O)[nH]c3=O)CC2)n1 ZINC000585498403 1158112581 /nfs/dbraw/zinc/11/25/81/1158112581.db2.gz YOKJZAGYDSITNF-UHFFFAOYSA-N 0 0 302.338 0.621 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@@H]1O ZINC000333317185 1158291106 /nfs/dbraw/zinc/29/11/06/1158291106.db2.gz OZXPSRCNYAOBON-DOMZBBRYSA-N 0 0 305.378 0.761 10 0 DCAERN CC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2cccs2)CC1 ZINC000032869748 1171425853 /nfs/dbraw/zinc/42/58/53/1171425853.db2.gz MKDMPIBSDZDRDK-SNVBAGLBSA-N 0 0 323.418 0.994 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)Cn1nnc2ccccc21 ZINC000052413078 1171778819 /nfs/dbraw/zinc/77/88/19/1171778819.db2.gz CGXKQRYDSDALEM-UHFFFAOYSA-N 0 0 303.366 0.758 10 0 DCAERN COC(CNC(=O)CCCN1C(=O)c2ccccc2C1=O)OC ZINC000075241446 1173931434 /nfs/dbraw/zinc/93/14/34/1173931434.db2.gz JDZVNFXDLIVPBT-UHFFFAOYSA-N 0 0 320.345 0.798 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1Cc2ccccc2NC(=O)C1 ZINC000087887985 1175226466 /nfs/dbraw/zinc/22/64/66/1175226466.db2.gz ZNGDNJCKJYAHJR-UHFFFAOYSA-N 0 0 306.347 0.861 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000095348932 1175777390 /nfs/dbraw/zinc/77/73/90/1175777390.db2.gz FOJVGXRTSAHCDN-JGVFFNPUSA-N 0 0 307.272 0.776 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NC1(C(F)(F)F)CC1 ZINC000229809793 1177521536 /nfs/dbraw/zinc/52/15/36/1177521536.db2.gz BMDDINKBYVMRAW-UHFFFAOYSA-N 0 0 311.285 0.497 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000152761970 1180545960 /nfs/dbraw/zinc/54/59/60/1180545960.db2.gz MVSRYSCPEJRDOM-STQMWFEESA-N 0 0 309.410 0.668 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1cccc(C)c1 ZINC000153489208 1180548544 /nfs/dbraw/zinc/54/85/44/1180548544.db2.gz FBPCRGIQZCKQOS-ZDUSSCGKSA-N 0 0 314.407 0.426 10 0 DCAERN NC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000236258634 1180566623 /nfs/dbraw/zinc/56/66/23/1180566623.db2.gz NBZQUSMQHSGPEB-SSDOTTSWSA-N 0 0 312.167 0.979 10 0 DCAERN CC(=O)Nc1cccc(C(=O)NCCNC(=O)[C@@H]2CCCO2)c1 ZINC000169841703 1183609691 /nfs/dbraw/zinc/60/96/91/1183609691.db2.gz WVBKZRTXBWWKRM-AWEZNQCLSA-N 0 0 319.361 0.670 10 0 DCAERN COCCC(=O)NCCNC(=O)COc1ccc(C)c(C)c1 ZINC000169841106 1183609957 /nfs/dbraw/zinc/60/99/57/1183609957.db2.gz BUKAZZWWOSTJEI-UHFFFAOYSA-N 0 0 308.378 0.951 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC000174011035 1183953984 /nfs/dbraw/zinc/95/39/84/1183953984.db2.gz MYTRNEJDLXFTOD-PRHODGIISA-N 0 0 321.381 0.072 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)OCCCc1ccncc1 ZINC000175512276 1184104764 /nfs/dbraw/zinc/10/47/64/1184104764.db2.gz KVVGWDVETCEEDW-UHFFFAOYSA-N 0 0 300.380 0.839 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000176631930 1184201303 /nfs/dbraw/zinc/20/13/03/1184201303.db2.gz XEEPKUDAKBCDRM-NSHDSACASA-N 0 0 318.399 0.473 10 0 DCAERN Cc1noc([C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000176817426 1184223296 /nfs/dbraw/zinc/22/32/96/1184223296.db2.gz CWZKJEZPEZJTDN-SCZZXKLOSA-N 0 0 303.384 0.872 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000177052335 1184226263 /nfs/dbraw/zinc/22/62/63/1184226263.db2.gz WSYWQOCWEWTPHF-LLVKDONJSA-N 0 0 314.407 0.638 10 0 DCAERN Cc1noc([C@H](NCC(=O)NCC(=O)N2CCCC2)C(C)C)n1 ZINC000179866074 1185168802 /nfs/dbraw/zinc/16/88/02/1185168802.db2.gz XHSMONFCLMWXEK-CQSZACIVSA-N 0 0 323.397 0.403 10 0 DCAERN CN(C(=O)c1ccc2nnn(C)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000182332892 1185187126 /nfs/dbraw/zinc/18/71/26/1185187126.db2.gz IEUPRDWAYIYFAG-JTQLQIEISA-N 0 0 308.363 0.227 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NN=c1cc(Cl)cc[nH]1 ZINC000182975064 1185189907 /nfs/dbraw/zinc/18/99/07/1185189907.db2.gz KZJPKAGDDKNGGV-UHFFFAOYSA-N 0 0 306.775 0.460 10 0 DCAERN Cc1noc([C@H](NC(=O)Nc2nccn(C)c2=O)C(C)C)n1 ZINC000183881527 1185194276 /nfs/dbraw/zinc/19/42/76/1185194276.db2.gz FFSZRXHDNUCXAR-SECBINFHSA-N 0 0 306.326 0.991 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C(=O)Cn1nnc2ccccc21 ZINC000187682996 1187516810 /nfs/dbraw/zinc/51/68/10/1187516810.db2.gz KSKMXYWDHBGJPX-HNNXBMFYSA-N 0 0 302.334 0.985 10 0 DCAERN NC(=O)C[C@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000190060983 1187953643 /nfs/dbraw/zinc/95/36/43/1187953643.db2.gz QYQAIRCIHPXAAR-SECBINFHSA-N 0 0 315.333 0.046 10 0 DCAERN CCN1CCCN(C(=O)Cn2nnc3ccccc32)CC1=O ZINC000190481604 1187956835 /nfs/dbraw/zinc/95/68/35/1187956835.db2.gz IGYKQMCFSHMGAG-UHFFFAOYSA-N 0 0 301.350 0.512 10 0 DCAERN Cn1cnc(CCNC(=O)c2c(Br)nnn2C)c1 ZINC000313492931 1190395799 /nfs/dbraw/zinc/39/57/99/1190395799.db2.gz LGXNENHDEMZTFU-UHFFFAOYSA-N 0 0 313.159 0.284 10 0 DCAERN NC(=O)CC1CN(C(=O)c2cc(Br)ccc2N)C1 ZINC000382167628 1190698931 /nfs/dbraw/zinc/69/89/31/1190698931.db2.gz DXRCOOGFBDDNKH-UHFFFAOYSA-N 0 0 312.167 0.979 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@@H](CO)C1 ZINC000588560166 747443236 /nfs/dbraw/zinc/44/32/36/747443236.db2.gz JQUZALSFGNQGHZ-MBNYWOFBSA-N 0 0 322.409 0.296 10 0 DCAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1F ZINC000401814266 774067383 /nfs/dbraw/zinc/06/73/83/774067383.db2.gz GGQGVGIWSINITM-VIFPVBQESA-N 0 0 322.383 0.418 10 0 DCAERN C[C@]1(NS(=O)(=O)c2cccnc2F)CCS(=O)(=O)C1 ZINC000401830127 774067529 /nfs/dbraw/zinc/06/75/29/774067529.db2.gz MUDCSYLZLYTIGB-JTQLQIEISA-N 0 0 308.356 0.076 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1ccc(Cl)nc1 ZINC000404198870 774126103 /nfs/dbraw/zinc/12/61/03/774126103.db2.gz HGBSDAFMMBSJIX-LLVKDONJSA-N 0 0 306.771 0.555 10 0 DCAERN NC(=O)[C@@H](O)CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000311306365 774428366 /nfs/dbraw/zinc/42/83/66/774428366.db2.gz QXZQZTVJDCPEEK-SYBPUXJVSA-N 0 0 303.145 0.969 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2ccnc(Cl)c2)CCC1 ZINC000721568434 944835079 /nfs/dbraw/zinc/83/50/79/944835079.db2.gz RHECIGVIZFCLFL-UHFFFAOYSA-N 0 0 303.771 0.676 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(=O)[O-])s2)C1 ZINC000690728477 968904177 /nfs/dbraw/zinc/90/41/77/968904177.db2.gz VCNIOTRUWUZVCJ-VIFPVBQESA-N 0 0 318.420 0.817 10 0 DCAERN C[C@@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C(=O)[O-])C1 ZINC000690815976 976336389 /nfs/dbraw/zinc/33/63/89/976336389.db2.gz CKNFPMKRTGDXIH-GRYCIOLGSA-N 0 0 304.412 0.453 10 0 DCAERN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)C1=NNC(=O)CC1 ZINC000074590753 185000160 /nfs/dbraw/zinc/00/01/60/185000160.db2.gz SLHVITUVRCONMX-UHFFFAOYSA-N 0 0 312.370 0.672 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000177301187 529409795 /nfs/dbraw/zinc/40/97/95/529409795.db2.gz VOOLJPJHOXGHHN-CXAGYDPISA-N 0 0 321.421 0.716 10 0 DCAERN O=C([C@H]1C[C@H]1C1CC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000328637221 231275375 /nfs/dbraw/zinc/27/53/75/231275375.db2.gz OLYZKFHIQANFNU-STQMWFEESA-N 0 0 312.377 0.819 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)Cn1ncc3ccccc31)C2 ZINC000328628395 231262123 /nfs/dbraw/zinc/26/21/23/231262123.db2.gz NSUJOOJNZIVYRH-UHFFFAOYSA-N 0 0 323.356 0.715 10 0 DCAERN Cn1nccc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000328639808 231275901 /nfs/dbraw/zinc/27/59/01/231275901.db2.gz PPLYUAKAPWYBLV-UHFFFAOYSA-N 0 0 306.366 0.478 10 0 DCAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)[C@@H]1CCCO1 ZINC000087896330 185235597 /nfs/dbraw/zinc/23/55/97/185235597.db2.gz NMHGLLJEPUWEAO-PELKAZGASA-N 0 0 316.354 0.770 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000408396626 529595538 /nfs/dbraw/zinc/59/55/38/529595538.db2.gz ZYWUJYMIOOELLI-LLVKDONJSA-N 0 0 324.410 0.600 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000179122615 282297333 /nfs/dbraw/zinc/29/73/33/282297333.db2.gz HITISRKYAIKHOW-GFCCVEGCSA-N 0 0 300.318 0.917 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)NCc2ccccc2)CCO1 ZINC000275948642 529852006 /nfs/dbraw/zinc/85/20/06/529852006.db2.gz LYQOXWYGRNROOF-CQSZACIVSA-N 0 0 320.393 0.014 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(Cc2ccc3c[nH]nc3c2)CCO1 ZINC000275822539 529852511 /nfs/dbraw/zinc/85/25/11/529852511.db2.gz UUVWODAFCLOROI-AWEZNQCLSA-N 0 0 317.393 0.181 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000186847444 529853751 /nfs/dbraw/zinc/85/37/51/529853751.db2.gz OWBLOCQWHROXND-ZDUSSCGKSA-N 0 0 300.399 0.986 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@@H](C)C[C@H]2C(N)=O)cs1 ZINC000187389289 529874493 /nfs/dbraw/zinc/87/44/93/529874493.db2.gz DORAZNNEPWAHNR-KOLCDFICSA-N 0 0 310.423 0.517 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCc1c(C)nn(C)c1C)C(C)C ZINC000178409446 529896842 /nfs/dbraw/zinc/89/68/42/529896842.db2.gz DUVSUMQUIMIDJI-ZDUSSCGKSA-N 0 0 309.414 0.649 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000179268997 529902381 /nfs/dbraw/zinc/90/23/81/529902381.db2.gz BCDWIAOLKYINPZ-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN C[C@@H](C(=O)N1CCC(=O)[C@H](C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000377095260 295715558 /nfs/dbraw/zinc/71/55/58/295715558.db2.gz RHVVCHMGXAFTFW-MNOVXSKESA-N 0 0 321.377 0.677 10 0 DCAERN CN(CC(=O)NC(N)=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570337 282352444 /nfs/dbraw/zinc/35/24/44/282352444.db2.gz FNUVRMKEIHMRLS-GFCCVEGCSA-N 0 0 304.350 0.309 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCC2(CCO)CC2)c1 ZINC000187936640 530033994 /nfs/dbraw/zinc/03/39/94/530033994.db2.gz GFHGHUZQNYVYSU-UHFFFAOYSA-N 0 0 312.391 0.487 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000155149923 530034222 /nfs/dbraw/zinc/03/42/22/530034222.db2.gz WIIBORXVDDVRNZ-QWRGUYRKSA-N 0 0 312.391 0.844 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2COCCO2)CCS1(=O)=O ZINC000408377699 282365017 /nfs/dbraw/zinc/36/50/17/282365017.db2.gz RMJSFONJACJDGE-NSHDSACASA-N 0 0 305.396 0.218 10 0 DCAERN NS(=O)(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000111367404 185588277 /nfs/dbraw/zinc/58/82/77/185588277.db2.gz VAUDYKUTXPFMOK-UHFFFAOYSA-N 0 0 300.380 0.675 10 0 DCAERN COCCN(C)S(=O)(=O)c1ccc(F)c(C(N)=S)c1 ZINC000071247062 190948440 /nfs/dbraw/zinc/94/84/40/190948440.db2.gz PPHBQAOZJZVHSL-UHFFFAOYSA-N 0 0 306.384 0.727 10 0 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WDVAIVCSWSORBQ-GFCCVEGCSA-N 0 0 314.411 0.410 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000172372718 198086852 /nfs/dbraw/zinc/08/68/52/198086852.db2.gz ZDJGYKOAFDCTDK-SSDOTTSWSA-N 0 0 320.461 0.928 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000172372620 198087192 /nfs/dbraw/zinc/08/71/92/198087192.db2.gz LULDSFCQYZVYQN-LLVKDONJSA-N 0 0 321.402 0.990 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2Cc3ccccc3O2)c(=O)n(C)c1=O ZINC000172593801 198119602 /nfs/dbraw/zinc/11/96/02/198119602.db2.gz NLBPLCSNPLZJKJ-LBPRGKRZSA-N 0 0 301.302 0.026 10 0 DCAERN CCSc1nc2nnc3c(CC(=O)OC)nn(C)c3n2n1 ZINC000072462365 191172518 /nfs/dbraw/zinc/17/25/18/191172518.db2.gz FATHKRVDSINAIU-UHFFFAOYSA-N 0 0 307.339 0.234 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000072618479 191203024 /nfs/dbraw/zinc/20/30/24/191203024.db2.gz GZLCTFKIWXYSIM-ZWNOBZJWSA-N 0 0 318.377 0.650 10 0 DCAERN Cc1cc(N2CC[C@@H](Sc3nnc(C)n3N)C2=O)n(C)n1 ZINC000172901443 198165307 /nfs/dbraw/zinc/16/53/07/198165307.db2.gz AHUCWCWBSFHQFI-SECBINFHSA-N 0 0 307.383 0.240 10 0 DCAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000172941002 198169938 /nfs/dbraw/zinc/16/99/38/198169938.db2.gz UQNPGOCBEIMMJB-VXGBXAGGSA-N 0 0 302.330 0.520 10 0 DCAERN [NH3+][C@]1(C(=O)[O-])CC[C@@H](n2cc(I)cn2)C1 ZINC000086627119 545706384 /nfs/dbraw/zinc/70/63/84/545706384.db2.gz TZNXQNLVEHZKMV-VXNVDRBHSA-N 0 0 321.118 0.995 10 0 DCAERN COCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000173825194 198257468 /nfs/dbraw/zinc/25/74/68/198257468.db2.gz IXTJKQWRFRJKJA-UHFFFAOYSA-N 0 0 305.378 0.588 10 0 DCAERN C[C@H]1CO[C@@H](c2ccccc2)CN1CC(=O)N1CCNC(=O)C1 ZINC000170763412 290984135 /nfs/dbraw/zinc/98/41/35/290984135.db2.gz HTQUSZKKPFJVAB-DZGCQCFKSA-N 0 0 317.389 0.407 10 0 DCAERN Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCC(=O)NC3=O)c2)cs1 ZINC000174270415 198312813 /nfs/dbraw/zinc/31/28/13/198312813.db2.gz GMQXVPWLYZFOBN-SECBINFHSA-N 0 0 318.358 0.982 10 0 DCAERN CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000174274453 198313549 /nfs/dbraw/zinc/31/35/49/198313549.db2.gz RAFQQGPKACRLQH-NSHDSACASA-N 0 0 308.309 0.905 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc(N)nc(Cl)c2)C[C@@H]1C ZINC000174296559 198315996 /nfs/dbraw/zinc/31/59/96/198315996.db2.gz IZTBWRPFOBHRAD-VHSXEESVSA-N 0 0 312.801 0.844 10 0 DCAERN Cc1cc(C(=O)NCc2ccnn2C)cc(S(N)(=O)=O)c1C ZINC000174580780 198355274 /nfs/dbraw/zinc/35/52/74/198355274.db2.gz BDFXBGKZHOHRGQ-UHFFFAOYSA-N 0 0 322.390 0.614 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000174671900 198368416 /nfs/dbraw/zinc/36/84/16/198368416.db2.gz DAVMMKCQHSZTAD-OAHLLOKOSA-N 0 0 305.378 0.784 10 0 DCAERN CO[C@@H](C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000280200591 215448285 /nfs/dbraw/zinc/44/82/85/215448285.db2.gz FIWJIPDXPYHPIY-NWDGAFQWSA-N 0 0 306.366 0.692 10 0 DCAERN Cc1nc(CNC(=O)NCC(=O)N(C)Cc2ccccc2)no1 ZINC000175494379 198482747 /nfs/dbraw/zinc/48/27/47/198482747.db2.gz DHMFMKRFWOCGQU-UHFFFAOYSA-N 0 0 317.349 0.836 10 0 DCAERN CC(C)C[C@H]1COCCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166883 191288564 /nfs/dbraw/zinc/28/85/64/191288564.db2.gz REPDCJHNSKRTGL-KBPBESRZSA-N 0 0 311.426 0.457 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cccc(Br)n1 ZINC000182813694 199494669 /nfs/dbraw/zinc/49/46/69/199494669.db2.gz IBRMLUBOLFAKSJ-SSDOTTSWSA-N 0 0 312.123 0.379 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000247139724 283070434 /nfs/dbraw/zinc/07/04/34/283070434.db2.gz XDJFTFKSTHPRCP-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000074752390 191355007 /nfs/dbraw/zinc/35/50/07/191355007.db2.gz CJCLXHPCFZBSSE-UHFFFAOYSA-N 0 0 319.361 0.613 10 0 DCAERN CCCCNC(=O)CS(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453031628 535285187 /nfs/dbraw/zinc/28/51/87/535285187.db2.gz HSVQQNFQERDQPJ-UHFFFAOYSA-N 0 0 320.392 0.620 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)NC[C@@H]1CCCC[C@@H]1O ZINC000077150859 191663845 /nfs/dbraw/zinc/66/38/45/191663845.db2.gz BYHCNXLEOBEACY-AAEUAGOBSA-N 0 0 309.366 0.746 10 0 DCAERN COC(=O)/C=C(\Sc1nnc2cc(C)nc(N)n21)C(=O)OC ZINC000005242886 181220331 /nfs/dbraw/zinc/22/03/31/181220331.db2.gz JUWWSBUIQZLHQA-ALCCZGGFSA-N 0 0 323.334 0.337 10 0 DCAERN CCCCNC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000005550317 181256295 /nfs/dbraw/zinc/25/62/95/181256295.db2.gz SWOQZTDAPSPXBP-UHFFFAOYSA-N 0 0 322.390 0.782 10 0 DCAERN COCCn1c2ccccc2nc1NC(=O)[C@H]1CNC(=O)C1 ZINC000184047799 199666146 /nfs/dbraw/zinc/66/61/46/199666146.db2.gz IQHUWRKSBFKBMS-SNVBAGLBSA-N 0 0 302.334 0.757 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCC(=O)Nc1cccc(F)c1 ZINC000184412659 199713994 /nfs/dbraw/zinc/71/39/94/199713994.db2.gz FNICRAFEXQJRAL-JOYOIKCWSA-N 0 0 316.354 0.861 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000132370342 291102412 /nfs/dbraw/zinc/10/24/12/291102412.db2.gz ICMMWNWXZOFKLK-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000365440207 293769574 /nfs/dbraw/zinc/76/95/74/293769574.db2.gz UOMZHOYWXHFOTR-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)CNC(=O)c2ccccn2)[nH]n1 ZINC000178179313 198827095 /nfs/dbraw/zinc/82/70/95/198827095.db2.gz VKWOGQQHJFECJF-SNVBAGLBSA-N 0 0 301.350 0.590 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H]1O ZINC000408093563 290535458 /nfs/dbraw/zinc/53/54/58/290535458.db2.gz CIYAYNXQPZNLBR-NWDGAFQWSA-N 0 0 323.393 0.470 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000178398063 198860780 /nfs/dbraw/zinc/86/07/80/198860780.db2.gz PXNQYHDLVJVGDD-CYBMUJFWSA-N 0 0 300.380 0.923 10 0 DCAERN CC(C)(CO)CCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178804054 198934549 /nfs/dbraw/zinc/93/45/49/198934549.db2.gz UGUKXNQSMUVOIE-UHFFFAOYSA-N 0 0 314.407 0.863 10 0 DCAERN CCCCN(CC(N)=O)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000179295774 199011516 /nfs/dbraw/zinc/01/15/16/199011516.db2.gz LERZKFKWZJLOLP-UHFFFAOYSA-N 0 0 319.365 0.955 10 0 DCAERN CCCCN(CC(N)=O)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000179322226 199015141 /nfs/dbraw/zinc/01/51/41/199015141.db2.gz GZGFVBFVYHJESQ-UHFFFAOYSA-N 0 0 318.420 0.879 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000179438708 199035689 /nfs/dbraw/zinc/03/56/89/199035689.db2.gz VXHBBTNGPHQWDQ-UHFFFAOYSA-N 0 0 305.787 0.633 10 0 DCAERN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)n1 ZINC000180485315 199165414 /nfs/dbraw/zinc/16/54/14/199165414.db2.gz KIJUQVONAQUQSP-IAQYHMDHSA-N 0 0 304.394 0.886 10 0 DCAERN COCCCOCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000180684651 199196275 /nfs/dbraw/zinc/19/62/75/199196275.db2.gz ADWKIGUQTSUULV-AWEZNQCLSA-N 0 0 311.382 0.472 10 0 DCAERN O=C([O-])Cn1c(=O)c2cc(Cl)ccc2nc1N1CC[NH2+]CC1 ZINC000040351874 295985968 /nfs/dbraw/zinc/98/59/68/295985968.db2.gz YCCDCXBTNZGQNR-UHFFFAOYSA-N 0 0 322.752 0.544 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)O3)C2=O)n(C)n1 ZINC000157661758 237057399 /nfs/dbraw/zinc/05/73/99/237057399.db2.gz NTKRDFAMABGUTL-SDDRHHMPSA-N 0 0 306.366 0.518 10 0 DCAERN COCCc1noc(CN2CCN(c3cccnn3)CC2)n1 ZINC000171668242 237140710 /nfs/dbraw/zinc/14/07/10/237140710.db2.gz TYPGIMKMWXDXNG-UHFFFAOYSA-N 0 0 304.354 0.371 10 0 DCAERN COc1ccc2c(c1)N(C[C@H](O)CN1CCCC1=O)CCO2 ZINC000174122100 237166746 /nfs/dbraw/zinc/16/67/46/237166746.db2.gz CUMRQDXLYUNGPL-LBPRGKRZSA-N 0 0 306.362 0.877 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000176243223 237194827 /nfs/dbraw/zinc/19/48/27/237194827.db2.gz KMJFCHPEGUTJLX-UHFFFAOYSA-N 0 0 311.305 0.352 10 0 DCAERN CCc1onc(C)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000186588100 237315713 /nfs/dbraw/zinc/31/57/13/237315713.db2.gz GISZSWKALJMQGI-SECBINFHSA-N 0 0 301.368 0.309 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)c2cc(C(N)=O)cn2C)n1 ZINC000186647995 237322726 /nfs/dbraw/zinc/32/27/26/237322726.db2.gz XTSCEOUQAAGSPI-VIFPVBQESA-N 0 0 305.338 0.780 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1)N1CCN(CCO)[C@@H](C)C1 ZINC000187673375 237353157 /nfs/dbraw/zinc/35/31/57/237353157.db2.gz BXOYVEVLGVBIRF-GJZGRUSLSA-N 0 0 305.422 0.690 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1F ZINC000187989957 237365787 /nfs/dbraw/zinc/36/57/87/237365787.db2.gz YIUJZRYXOQIGBX-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)CCS1(=O)=O ZINC000427449601 240358282 /nfs/dbraw/zinc/35/82/82/240358282.db2.gz PCEUDQVWELKOSA-JTQLQIEISA-N 0 0 322.390 0.674 10 0 DCAERN COCc1nc(C)c(C(=O)N2CCN(CCO)[C@@H](C)C2)s1 ZINC000188724285 200294588 /nfs/dbraw/zinc/29/45/88/200294588.db2.gz XIDNVXBYWDSRSZ-JTQLQIEISA-N 0 0 313.423 0.737 10 0 DCAERN CC(C)c1noc(CCC(=O)N2CCN(CCO)[C@H](C)C2)n1 ZINC000188699596 200289910 /nfs/dbraw/zinc/28/99/10/200289910.db2.gz NUCWLXKYTXZWQZ-GFCCVEGCSA-N 0 0 310.398 0.651 10 0 DCAERN CN(C)c1ncc(NC(=O)NCC(=O)NCC(F)(F)F)cn1 ZINC000154332309 291212594 /nfs/dbraw/zinc/21/25/94/291212594.db2.gz CWYOIFKJZOHQLK-UHFFFAOYSA-N 0 0 320.275 0.343 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCN(C)C(=O)C2)n1 ZINC000154384664 291213240 /nfs/dbraw/zinc/21/32/40/291213240.db2.gz YPIMABVSDQTIGF-UHFFFAOYSA-N 0 0 309.370 0.609 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000156169402 291224010 /nfs/dbraw/zinc/22/40/10/291224010.db2.gz DEEYCUKZCRBWCJ-OLZOCXBDSA-N 0 0 301.346 0.722 10 0 DCAERN COCCc1cc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)n(C)n1 ZINC000156730988 291225943 /nfs/dbraw/zinc/22/59/43/291225943.db2.gz XVHNCCFTEOSOFN-SNVBAGLBSA-N 0 0 320.349 0.959 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000158829373 291233071 /nfs/dbraw/zinc/23/30/71/291233071.db2.gz OUFBGIBKHXDVQA-IUCAKERBSA-N 0 0 314.363 0.313 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(F)cc2cccnc21 ZINC000159094824 291233846 /nfs/dbraw/zinc/23/38/46/291233846.db2.gz FUZBSUUOZULODP-NSHDSACASA-N 0 0 301.277 0.909 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CCC(=O)N(C)C2)NC1=O ZINC000265621663 291242100 /nfs/dbraw/zinc/24/21/00/291242100.db2.gz BTXWBYPIMQUVBT-NXEZZACHSA-N 0 0 317.345 0.757 10 0 DCAERN COC[C@H](O)CCNC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000161587670 291242246 /nfs/dbraw/zinc/24/22/46/291242246.db2.gz NFZGTSOIXKCYPG-OCCSQVGLSA-N 0 0 302.415 0.687 10 0 DCAERN CN(C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1F ZINC000161897159 291242726 /nfs/dbraw/zinc/24/27/26/291242726.db2.gz PRMJIYYAUANVJI-UHFFFAOYSA-N 0 0 315.308 0.932 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)C1 ZINC000163819998 291246889 /nfs/dbraw/zinc/24/68/89/291246889.db2.gz ZGPQVCNSWOLAJS-MCIONIFRSA-N 0 0 311.426 0.158 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000268223754 291250189 /nfs/dbraw/zinc/25/01/89/291250189.db2.gz SSWXYTVSBOMZGF-NWDGAFQWSA-N 0 0 312.395 0.335 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)c2ncccn2)cc1 ZINC000193844885 201132440 /nfs/dbraw/zinc/13/24/40/201132440.db2.gz LZLPVZYAFJPWRL-UHFFFAOYSA-N 0 0 306.347 0.661 10 0 DCAERN CNc1nc(N2CCS(=O)CC2)ncc1Br ZINC000132392964 283699912 /nfs/dbraw/zinc/69/99/12/283699912.db2.gz QUFOIKTYHMSPQW-UHFFFAOYSA-N 0 0 305.201 0.850 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)o1 ZINC000408396933 239267465 /nfs/dbraw/zinc/26/74/65/239267465.db2.gz VIUXPUABUADFJZ-WDEREUQCSA-N 0 0 302.396 0.664 10 0 DCAERN COC1(CO)CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000401962291 239253670 /nfs/dbraw/zinc/25/36/70/239253670.db2.gz YCLJQSOVXFVOES-LBPRGKRZSA-N 0 0 306.428 0.436 10 0 DCAERN Cn1cc(C(=O)N2CCN(C3CC3)CC2)c([C@H]2CCOC2)n1 ZINC000275501578 212376044 /nfs/dbraw/zinc/37/60/44/212376044.db2.gz KJLFOTIUJFJYEA-LBPRGKRZSA-N 0 0 304.394 0.844 10 0 DCAERN C[C@H]1c2cccn2CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000172322255 291323153 /nfs/dbraw/zinc/32/31/53/291323153.db2.gz IKYRPWIXCNHLAR-JTQLQIEISA-N 0 0 304.350 0.722 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2nccs2)s1 ZINC000211828564 201442355 /nfs/dbraw/zinc/44/23/55/201442355.db2.gz XKPVQQSHDHUAAE-UHFFFAOYSA-N 0 0 310.403 0.685 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CC1)NCCS2(=O)=O ZINC000091303075 193035127 /nfs/dbraw/zinc/03/51/27/193035127.db2.gz MHOOPRKAHUGKAY-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN CCC(=O)C1(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000450789607 240645843 /nfs/dbraw/zinc/64/58/43/240645843.db2.gz WJDYJPVABXKGQK-UHFFFAOYSA-N 0 0 310.394 0.842 10 0 DCAERN CCCOc1cccc(CC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091778553 193105818 /nfs/dbraw/zinc/10/58/18/193105818.db2.gz XMUUGNCUJFDHKC-AWEZNQCLSA-N 0 0 306.362 0.731 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@@H]1C(N)=O)C(=O)c1cccc(F)c1 ZINC000091778637 193106122 /nfs/dbraw/zinc/10/61/22/193106122.db2.gz IRLMQPYFDDRLFG-ZWNOBZJWSA-N 0 0 322.336 0.747 10 0 DCAERN CC(C)Oc1cccc(CC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784619 193107395 /nfs/dbraw/zinc/10/73/95/193107395.db2.gz JYWIRTYKNHFDJI-AWEZNQCLSA-N 0 0 306.362 0.729 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)Nc1nccs1 ZINC000091840922 193116286 /nfs/dbraw/zinc/11/62/86/193116286.db2.gz AXZNSEKNHSVTCB-UWVGGRQHSA-N 0 0 324.406 0.749 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000455401275 240843223 /nfs/dbraw/zinc/84/32/23/240843223.db2.gz GRPPXRNOQVGZMN-JOYOIKCWSA-N 0 0 323.315 0.706 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000252893389 291362749 /nfs/dbraw/zinc/36/27/49/291362749.db2.gz QIHNBSBRNGPACY-IJLUTSLNSA-N 0 0 320.411 0.225 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2cnc(C)o2)CC12COC2 ZINC000459261055 241056102 /nfs/dbraw/zinc/05/61/02/241056102.db2.gz WZHIORBHGKPHGU-LBPRGKRZSA-N 0 0 323.349 0.704 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000493711844 241150482 /nfs/dbraw/zinc/15/04/82/241150482.db2.gz USJXPMSETHKAHQ-GHMZBOCLSA-N 0 0 321.377 0.741 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)CCO)c1 ZINC000493854063 241169176 /nfs/dbraw/zinc/16/91/76/241169176.db2.gz ZOAKKCVBCLFCSU-JTQLQIEISA-N 0 0 307.350 0.495 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)c1nnc2n1CCCC2 ZINC000135260704 296098914 /nfs/dbraw/zinc/09/89/14/296098914.db2.gz IAOSGYNILCMZBN-NXEZZACHSA-N 0 0 314.411 0.472 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000092230992 193177150 /nfs/dbraw/zinc/17/71/50/193177150.db2.gz APJMKFJXFBWONJ-LLVKDONJSA-N 0 0 324.287 0.701 10 0 DCAERN Cc1c(O)ccc2c(CN3CCOC[C@@H]3C(N)=O)cc(=O)oc12 ZINC000092229956 193177394 /nfs/dbraw/zinc/17/73/94/193177394.db2.gz IKGLPLHCASSDCV-GFCCVEGCSA-N 0 0 318.329 0.493 10 0 DCAERN Cc1ccccc1-c1nc(CN2CCOC[C@@H]2C(N)=O)no1 ZINC000092229386 193177475 /nfs/dbraw/zinc/17/74/75/193177475.db2.gz UTGHEWBFDFZRPP-GFCCVEGCSA-N 0 0 302.334 0.731 10 0 DCAERN Cc1ccccc1-c1nc(CN2CCOC[C@H]2C(N)=O)no1 ZINC000092229387 193177604 /nfs/dbraw/zinc/17/76/04/193177604.db2.gz UTGHEWBFDFZRPP-LBPRGKRZSA-N 0 0 302.334 0.731 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCCn3ncnc31)CS2 ZINC000246098561 291437866 /nfs/dbraw/zinc/43/78/66/291437866.db2.gz ICEUYCIUHBCWOM-RBZYPMLTSA-N 0 0 321.406 0.683 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000367675942 291444063 /nfs/dbraw/zinc/44/40/63/291444063.db2.gz RGZYKBOHVFVNDJ-VGBQHSPPSA-N 0 0 311.378 0.981 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)CCO1 ZINC000408403781 284097588 /nfs/dbraw/zinc/09/75/88/284097588.db2.gz CPKQJEWLYGARNL-QWRGUYRKSA-N 0 0 323.353 0.005 10 0 DCAERN CCN1CCN(S(=O)(=O)CCCCOC)C(C)(C)C1=O ZINC000188292728 261127067 /nfs/dbraw/zinc/12/70/67/261127067.db2.gz FPYPXIDSCYUARV-UHFFFAOYSA-N 0 0 306.428 0.686 10 0 DCAERN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)c(OC)c1 ZINC000093530706 193264700 /nfs/dbraw/zinc/26/47/00/193264700.db2.gz TXRNOPVEFZUSIG-LBPRGKRZSA-N 0 0 314.407 0.827 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000248866236 284214770 /nfs/dbraw/zinc/21/47/70/284214770.db2.gz TVHWVEXTFCWOPR-IPYPFGDCSA-N 0 0 309.410 0.034 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1=O ZINC000282451577 217005008 /nfs/dbraw/zinc/00/50/08/217005008.db2.gz HIUQGZRICUEUPQ-MRVWCRGKSA-N 0 0 306.337 0.938 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc2c1OCCO2 ZINC000112660121 284241589 /nfs/dbraw/zinc/24/15/89/284241589.db2.gz QJWWHWWJFOXKKA-JTQLQIEISA-N 0 0 300.318 0.794 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408420194 291507373 /nfs/dbraw/zinc/50/73/73/291507373.db2.gz SLXWOKKPDLBWQT-ZJUUUORDSA-N 0 0 308.425 0.511 10 0 DCAERN COCCN(C)S(=O)(=O)NCc1cn2c(n1)CCCC2 ZINC000264737966 204114875 /nfs/dbraw/zinc/11/48/75/204114875.db2.gz JIZGVODSONTCIV-UHFFFAOYSA-N 0 0 302.400 0.132 10 0 DCAERN Cc1nc(CN2CCN(c3cnn(C)c(=O)c3Cl)CC2)no1 ZINC000265088147 204389707 /nfs/dbraw/zinc/38/97/07/204389707.db2.gz AONCYRXGCBRBKO-UHFFFAOYSA-N 0 0 324.772 0.447 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC(=O)NC1 ZINC000282773011 217240550 /nfs/dbraw/zinc/24/05/50/217240550.db2.gz OYSUCIGVNLPUIN-DOMZBBRYSA-N 0 0 305.382 0.433 10 0 DCAERN CCN(C1CCN(C(=O)[C@]2(C)CCCO2)CC1)S(C)(=O)=O ZINC000153453806 284375930 /nfs/dbraw/zinc/37/59/30/284375930.db2.gz VNHJLWINUWWHHT-AWEZNQCLSA-N 0 0 318.439 0.828 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN(CCCO)CCCO)cc1 ZINC000017031727 182069879 /nfs/dbraw/zinc/06/98/79/182069879.db2.gz VRHGJAYZZJXLFD-UHFFFAOYSA-N 0 0 308.378 0.895 10 0 DCAERN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000020000535 182176180 /nfs/dbraw/zinc/17/61/80/182176180.db2.gz PHHHPHCFLVFBEO-MRVPVSSYSA-N 0 0 305.787 0.928 10 0 DCAERN O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000021141672 182266625 /nfs/dbraw/zinc/26/66/25/182266625.db2.gz BUUUMTUVHAQWHY-UHFFFAOYSA-N 0 0 314.301 0.664 10 0 DCAERN O=C(NCc1cccnc1)c1cc(CN2CCOCC2)on1 ZINC000021540822 182279676 /nfs/dbraw/zinc/27/96/76/182279676.db2.gz SEZQKVQTSLCAMV-UHFFFAOYSA-N 0 0 302.334 0.832 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(CCO)CC1 ZINC000022944499 182343450 /nfs/dbraw/zinc/34/34/50/182343450.db2.gz AKCAJOOUJVKAEH-LSDHHAIUSA-N 0 0 305.422 0.862 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)NC1CC1 ZINC000408193441 291606066 /nfs/dbraw/zinc/60/60/66/291606066.db2.gz CJEALSQDBMVIEG-JLLWLGSASA-N 0 0 302.396 0.789 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2csc(Cl)n2)C1 ZINC000274488207 211658394 /nfs/dbraw/zinc/65/83/94/211658394.db2.gz NQOBVRKYSATSSP-LURJTMIESA-N 0 0 309.800 0.560 10 0 DCAERN C[C@@H](C1CC1)n1cc(NC(=O)N[C@H]2CCC(=O)NC2=O)cn1 ZINC000189779916 335035432 /nfs/dbraw/zinc/03/54/32/335035432.db2.gz HAIXGFITLUGIJE-KWQFWETISA-N 0 0 305.338 0.781 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)N(C)C(C)C ZINC000248770052 291652253 /nfs/dbraw/zinc/65/22/53/291652253.db2.gz AHBKCUKUVSHOME-WOPDTQHZSA-N 0 0 304.412 0.845 10 0 DCAERN CS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000037750194 182923237 /nfs/dbraw/zinc/92/32/37/182923237.db2.gz LYTVRQUXKGOTAT-UHFFFAOYSA-N 0 0 312.800 0.245 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000038008756 182961130 /nfs/dbraw/zinc/96/11/30/182961130.db2.gz IZRKRQDXIJOTFQ-QMMMGPOBSA-N 0 0 324.811 0.543 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)NCCOCC2CCC2)CCO1 ZINC000574011214 291668013 /nfs/dbraw/zinc/66/80/13/291668013.db2.gz JPKBHHWSVRWYTK-CYBMUJFWSA-N 0 0 314.382 0.777 10 0 DCAERN C[C@@H]1C(=O)NCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408080039 296262103 /nfs/dbraw/zinc/26/21/03/296262103.db2.gz JPKQLOLEZXRYJZ-SFCYXTAJSA-N 0 0 305.422 0.892 10 0 DCAERN O=C([O-])c1ccc2c(c1)nc(CO)n2CCC[NH+]1CCOCC1 ZINC000040405940 183062403 /nfs/dbraw/zinc/06/24/03/183062403.db2.gz WDDFIFNZZSIVCG-UHFFFAOYSA-N 0 0 319.361 0.949 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757002 284671183 /nfs/dbraw/zinc/67/11/83/284671183.db2.gz LSLLGHLNKCYLGS-GFCCVEGCSA-N 0 0 316.361 0.403 10 0 DCAERN COc1ccccc1CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000104457638 194008633 /nfs/dbraw/zinc/00/86/33/194008633.db2.gz VSRZUQBAUXDXLK-UHFFFAOYSA-N 0 0 317.345 0.246 10 0 DCAERN CC(C)Oc1ccc(CNC(=O)N2CCNC(=O)CC2)cn1 ZINC000105136075 194077831 /nfs/dbraw/zinc/07/78/31/194077831.db2.gz DRUWHORKPRPJAO-UHFFFAOYSA-N 0 0 306.366 0.900 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225747 194086562 /nfs/dbraw/zinc/08/65/62/194086562.db2.gz DAAGSHNMUZDAFH-SECBINFHSA-N 0 0 303.313 0.408 10 0 DCAERN COCC(=O)N1CCN(C(=O)NCCc2ccsc2)CC1 ZINC000046778911 183568421 /nfs/dbraw/zinc/56/84/21/183568421.db2.gz AQBVENRGWOVQGX-UHFFFAOYSA-N 0 0 311.407 0.791 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)cs1 ZINC000105819604 194136127 /nfs/dbraw/zinc/13/61/27/194136127.db2.gz QMFKXQOJVNHSJN-GFCCVEGCSA-N 0 0 322.434 0.622 10 0 DCAERN Cc1cc(NC(=O)CN2CCCN(c3cccnn3)CC2)on1 ZINC000105799305 194131725 /nfs/dbraw/zinc/13/17/25/194131725.db2.gz FEEKWLITZTZIIR-UHFFFAOYSA-N 0 0 316.365 0.924 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NCC(=O)NC3CC3)cc21 ZINC000574865688 291720421 /nfs/dbraw/zinc/72/04/21/291720421.db2.gz XYZOTZYDSYLBGP-UHFFFAOYSA-N 0 0 314.345 0.939 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)c1 ZINC000105858221 194148831 /nfs/dbraw/zinc/14/88/31/194148831.db2.gz ZXVUSUNCOWBSKA-CYBMUJFWSA-N 0 0 318.377 0.894 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC(c2nncn2CC)CC1 ZINC000105929674 194172021 /nfs/dbraw/zinc/17/20/21/194172021.db2.gz KMIJVVXXHHLEJO-UHFFFAOYSA-N 0 0 322.413 0.713 10 0 DCAERN COC1CCN(C(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000408283610 284767582 /nfs/dbraw/zinc/76/75/82/284767582.db2.gz MOGWABMMLLUOQO-UHFFFAOYSA-N 0 0 305.382 0.829 10 0 DCAERN O=C1CCC(=O)N1CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000106297627 194195098 /nfs/dbraw/zinc/19/50/98/194195098.db2.gz DDHXVCNXQYONER-UHFFFAOYSA-N 0 0 301.302 0.229 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(CNC(C)=O)s1 ZINC000106689237 194243842 /nfs/dbraw/zinc/24/38/42/194243842.db2.gz CHJFLRZLKCCCPK-LLVKDONJSA-N 0 0 309.391 0.735 10 0 DCAERN O=C1CCN(S(=O)(=O)c2cccc3ncccc32)CCN1 ZINC000129277131 284797981 /nfs/dbraw/zinc/79/79/81/284797981.db2.gz APOMHHHQRXVFLV-UHFFFAOYSA-N 0 0 305.359 0.745 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109940005 194299836 /nfs/dbraw/zinc/29/98/36/194299836.db2.gz GHRUTMJCWMGZSO-HTQZYQBOSA-N 0 0 307.272 0.776 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110341938 194324435 /nfs/dbraw/zinc/32/44/35/194324435.db2.gz WDGOIIWEGGDEHB-SECBINFHSA-N 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CZPDBIIMPWSGAH-CQSZACIVSA-N 0 0 319.409 0.760 10 0 DCAERN Cn1cnc(CNC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000332997505 252670073 /nfs/dbraw/zinc/67/00/73/252670073.db2.gz AJMSGWKFDBLJIF-WCBMZHEXSA-N 0 0 321.303 0.660 10 0 DCAERN CC(C)[C@H]1N(C(=O)NCCN2C(=O)CCC2=O)C[C@@]12CCCO2 ZINC000333656906 252749119 /nfs/dbraw/zinc/74/91/19/252749119.db2.gz VTXXFLHMOXLJPG-ZBFHGGJFSA-N 0 0 323.393 0.734 10 0 DCAERN O=C(Nc1cccc2c1CNC2=O)N1CCN(C(=O)C2CC2)C1 ZINC000333828500 252767418 /nfs/dbraw/zinc/76/74/18/252767418.db2.gz IYSVIWWOSLGMDL-UHFFFAOYSA-N 0 0 314.345 0.974 10 0 DCAERN O=S(=O)(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333182768 285041525 /nfs/dbraw/zinc/04/15/25/285041525.db2.gz QCHHTGYDTSNTHB-QKGCVVFFSA-N 0 0 314.451 0.958 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000340912338 253321496 /nfs/dbraw/zinc/32/14/96/253321496.db2.gz JPARDZBGKADSMR-GFCCVEGCSA-N 0 0 318.439 0.874 10 0 DCAERN CO[C@H](C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000189089815 533087511 /nfs/dbraw/zinc/08/75/11/533087511.db2.gz OOVDCXHRAOXZED-OAHLLOKOSA-N 0 0 305.422 0.955 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)c1 ZINC000343731658 253693881 /nfs/dbraw/zinc/69/38/81/253693881.db2.gz SQSHMNDLOJVOBI-AWEZNQCLSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000346291761 254033274 /nfs/dbraw/zinc/03/32/74/254033274.db2.gz HVRQXUNJZFHVBC-UHFFFAOYSA-N 0 0 310.335 0.615 10 0 DCAERN CC(=O)c1cnc(NC(=O)c2ccc(S(N)(=O)=O)o2)s1 ZINC000346356328 254040667 /nfs/dbraw/zinc/04/06/67/254040667.db2.gz OZBWAHUEMWFBIX-UHFFFAOYSA-N 0 0 315.332 0.838 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000350009839 254308362 /nfs/dbraw/zinc/30/83/62/254308362.db2.gz KLEIVMFJFGZXSM-YIZRAAEISA-N 0 0 320.333 0.243 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1[C@@H]1COc2ccc(F)cc2C1 ZINC000288689048 296398209 /nfs/dbraw/zinc/39/82/09/296398209.db2.gz JSFBARLTNBCLOE-NHYWBVRUSA-N 0 0 306.293 0.840 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCCCO ZINC000351783384 254368197 /nfs/dbraw/zinc/36/81/97/254368197.db2.gz LSDVLUPQKCBFGK-GFCCVEGCSA-N 0 0 306.428 0.422 10 0 DCAERN O=C1Nc2ccc(Br)cc2C(=O)N2C[C@H](O)C[C@@H]12 ZINC000008297921 296400023 /nfs/dbraw/zinc/40/00/23/296400023.db2.gz QEKBDUAFAXUBRH-XCBNKYQSSA-N 0 0 311.135 0.977 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CC(C)(C)O1 ZINC000284332766 285301688 /nfs/dbraw/zinc/30/16/88/285301688.db2.gz AOTHNVAEJBEGIW-JTQLQIEISA-N 0 0 303.384 0.235 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2S1(=O)=O ZINC000249692797 257107265 /nfs/dbraw/zinc/10/72/65/257107265.db2.gz NCJPKUWIHRGTOO-KBPBESRZSA-N 0 0 323.418 0.968 10 0 DCAERN Cn1cc(C[C@@H]2[C@@H](O)CCN2C(=O)Cc2ccccn2)cn1 ZINC000248089113 257109479 /nfs/dbraw/zinc/10/94/79/257109479.db2.gz BXYCRONBIQHDKR-CABCVRRESA-N 0 0 300.362 0.562 10 0 DCAERN CCS(=O)(=O)N1C[C@@H]2OC[C@@H](Cc3nnc(C)o3)[C@@H]2C1 ZINC000248056535 257110177 /nfs/dbraw/zinc/11/01/77/257110177.db2.gz YTCFMVOROSNHON-VWYCJHECSA-N 0 0 301.368 0.217 10 0 DCAERN Cc1noc(C[C@@H]2C[C@@H]3CN(C(=O)C4CCOCC4)C[C@@H]3O2)n1 ZINC000247944929 257114077 /nfs/dbraw/zinc/11/40/77/257114077.db2.gz HSTQLRQSXPNJFH-RDBSUJKOSA-N 0 0 321.377 0.963 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)=O ZINC000247937957 257114212 /nfs/dbraw/zinc/11/42/12/257114212.db2.gz MDDYJJCGIVWENE-AEGPPILISA-N 0 0 320.393 0.459 10 0 DCAERN COCCN1CCO[C@@H]2CCN(C(=O)c3ccnnc3)CC[C@H]21 ZINC000247885448 257115595 /nfs/dbraw/zinc/11/55/95/257115595.db2.gz RKWOTQAMKXOCGM-HUUCEWRRSA-N 0 0 320.393 0.428 10 0 DCAERN COc1cc(N2C[C@H](C(=O)NC3CC3)C[C@@H]3OCC[C@@H]32)ncn1 ZINC000247879870 257115657 /nfs/dbraw/zinc/11/56/57/257115657.db2.gz IOGWTMZWQKTJMR-WXHSDQCUSA-N 0 0 318.377 0.748 10 0 DCAERN O=C([C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21)N1CCCO1 ZINC000247760669 257118636 /nfs/dbraw/zinc/11/86/36/257118636.db2.gz HBHVSEQJZWWFDG-UPJWGTAASA-N 0 0 322.340 0.621 10 0 DCAERN Cc1cnc(C(=O)N2C[C@@H]3CN(c4cncnc4)C(=O)[C@@H]3C2)cn1 ZINC000253601699 257104283 /nfs/dbraw/zinc/10/42/83/257104283.db2.gz WHOJMUFJHVCJAI-DGCLKSJQSA-N 0 0 324.344 0.310 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000074055478 184954746 /nfs/dbraw/zinc/95/47/46/184954746.db2.gz FXKZHBXLVACYNV-WCQYABFASA-N 0 0 318.439 0.874 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCC2CCCC2)C1 ZINC000172056698 533416447 /nfs/dbraw/zinc/41/64/47/533416447.db2.gz JFSMWGVGYYKILR-LBPRGKRZSA-N 0 0 303.428 0.900 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000275834127 130394447 /nfs/dbraw/zinc/39/44/47/130394447.db2.gz SUEHFSMQMOIQMP-CQSZACIVSA-N 0 0 319.405 0.949 10 0 DCAERN O=C1CO[C@H]2CCN(S(=O)(=O)c3ccccc3F)C[C@H]2N1 ZINC000366584791 130801159 /nfs/dbraw/zinc/80/11/59/130801159.db2.gz SYGGQGWJLRDUMU-MNOVXSKESA-N 0 0 314.338 0.104 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000283778505 131022096 /nfs/dbraw/zinc/02/20/96/131022096.db2.gz KNZHVWNAPISKDY-ONGXEEELSA-N 0 0 306.370 0.294 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCn3ccnc3)C[C@H]21 ZINC000284167614 131055425 /nfs/dbraw/zinc/05/54/25/131055425.db2.gz WVRIDGGHGZTBGB-ZIAGYGMSSA-N 0 0 307.398 0.388 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000284401837 131077464 /nfs/dbraw/zinc/07/74/64/131077464.db2.gz AVQNJSVIKIRONY-SCZZXKLOSA-N 0 0 304.318 0.721 10 0 DCAERN Cc1cc(N2CCC[C@](O)(C(N)=O)C2)ncc1Br ZINC000284463017 131082509 /nfs/dbraw/zinc/08/25/09/131082509.db2.gz AQXRYEFKAVCBDY-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN Cc1nc(N2CCC[C@@](O)(C(N)=O)C2)ccc1Br ZINC000284552834 131091217 /nfs/dbraw/zinc/09/12/17/131091217.db2.gz HMDHVHSYVPOZCF-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(C)o1 ZINC000284558238 131092582 /nfs/dbraw/zinc/09/25/82/131092582.db2.gz FLVOSOPQMDCMIC-CHWSQXEVSA-N 0 0 314.407 0.990 10 0 DCAERN C[C@H]1OCCN(Cc2nccn2CC(F)(F)F)[C@@H]1C(N)=O ZINC000284633162 131099195 /nfs/dbraw/zinc/09/91/95/131099195.db2.gz OCRHUNLFTUNCEO-SCZZXKLOSA-N 0 0 306.288 0.520 10 0 DCAERN Cn1ncc2c1nccc2N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284787999 131111431 /nfs/dbraw/zinc/11/14/31/131111431.db2.gz RCBCBRRZSBWBEB-HNNXBMFYSA-N 0 0 313.365 0.591 10 0 DCAERN Cc1nn(C)c2ncc(CN3CC[C@H]4[C@@H](C3)NC(=O)N4C)cc12 ZINC000284936542 131124956 /nfs/dbraw/zinc/12/49/56/131124956.db2.gz WIFYBPFKKGXKMU-KGLIPLIRSA-N 0 0 314.393 0.875 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000285398036 131164704 /nfs/dbraw/zinc/16/47/04/131164704.db2.gz CKPZAQQMAWTVNS-JTQLQIEISA-N 0 0 305.338 0.148 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3nccs3)C[C@H]21 ZINC000285494514 131173822 /nfs/dbraw/zinc/17/38/22/131173822.db2.gz RJXSDUFKNZBJHM-VXGBXAGGSA-N 0 0 310.423 0.800 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000285618619 131187450 /nfs/dbraw/zinc/18/74/50/131187450.db2.gz SDKCCSPDJXWIJM-ZENOOKHLSA-N 0 0 306.337 0.768 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2occc2Br)C1 ZINC000285628452 131188405 /nfs/dbraw/zinc/18/84/05/131188405.db2.gz SSWVUPDWHHRDMG-NSHDSACASA-N 0 0 317.139 0.495 10 0 DCAERN COc1ccccc1C1(C(=O)N2CCC[C@](O)(C(N)=O)C2)CC1 ZINC000285639238 131189353 /nfs/dbraw/zinc/18/93/53/131189353.db2.gz TYUIJQVTSGJPGO-QGZVFWFLSA-N 0 0 318.373 0.566 10 0 DCAERN O=S1(=O)CCCN(c2ncncc2Br)CC1 ZINC000222993152 296479256 /nfs/dbraw/zinc/47/92/56/296479256.db2.gz QUNZBHQPNIDIKG-UHFFFAOYSA-N 0 0 306.185 0.864 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000366705466 131978478 /nfs/dbraw/zinc/97/84/78/131978478.db2.gz VSMKHKFKELEPQX-CFMSYZGJSA-N 0 0 301.412 0.208 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@H]2CCc3n[nH]cc3C2)cn1 ZINC000164259593 132132450 /nfs/dbraw/zinc/13/24/50/132132450.db2.gz PNMZTBWRMWWHEH-VIFPVBQESA-N 0 0 300.322 0.583 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)NCCCN1CCCC1=O ZINC000120019736 132139697 /nfs/dbraw/zinc/13/96/97/132139697.db2.gz AQBJPPPMYFMNOS-ZDUSSCGKSA-N 0 0 309.410 0.906 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCC(=O)NC1CCCC1 ZINC000120392244 132142028 /nfs/dbraw/zinc/14/20/28/132142028.db2.gz FDCWMVDAZILYFK-NEPJUHHUSA-N 0 0 309.410 0.938 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000120608995 132148888 /nfs/dbraw/zinc/14/88/88/132148888.db2.gz KZUWAYXCAGGHEA-LBPRGKRZSA-N 0 0 300.380 0.341 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)NCc1ccccc1 ZINC000009855304 395685715 /nfs/dbraw/zinc/68/57/15/395685715.db2.gz MICSJNHZKQDSKQ-UHFFFAOYSA-N 0 0 303.362 0.432 10 0 DCAERN C[C@H]1O[C@@H](n2cc(Cl)c(N)nc2=O)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000022055880 395691685 /nfs/dbraw/zinc/69/16/85/395691685.db2.gz IXWKHHKVSDMPMQ-AMCGLFBUSA-N 0 0 301.730 0.916 10 0 DCAERN NC(=O)NCC(=O)Nc1cccc(I)c1 ZINC000025511623 395693588 /nfs/dbraw/zinc/69/35/88/395693588.db2.gz UQRKCAGIDVVQSO-UHFFFAOYSA-N 0 0 319.102 0.898 10 0 DCAERN C[C@@H](CNC(=O)CNC(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000029960457 395701047 /nfs/dbraw/zinc/70/10/47/395701047.db2.gz ZJYBUYNHVJETIM-LBPRGKRZSA-N 0 0 323.368 0.392 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MYKKQFQAUNCDCN-LBPRGKRZSA-N 0 0 320.393 0.696 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCc1cnn(C)c1 ZINC000102650381 395770790 /nfs/dbraw/zinc/77/07/90/395770790.db2.gz AKMJDCIMWNKLJW-LLVKDONJSA-N 0 0 304.350 0.880 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@H](O)Cc2ccccc2)n1 ZINC000103866812 395775339 /nfs/dbraw/zinc/77/53/39/395775339.db2.gz DDBPTHLBXHYKII-CYBMUJFWSA-N 0 0 304.350 0.823 10 0 DCAERN O=C(NCCCN1CCCCCC1=O)[C@H]1CCCCC(=O)N1 ZINC000193713177 395777189 /nfs/dbraw/zinc/77/71/89/395777189.db2.gz DLVIURVQKYDADN-CYBMUJFWSA-N 0 0 309.410 0.954 10 0 DCAERN COc1ccccc1OCCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194632818 395802444 /nfs/dbraw/zinc/80/24/44/395802444.db2.gz ONCJXUPZHJMYAO-ZDUSSCGKSA-N 0 0 308.378 0.911 10 0 DCAERN COCCN1CCCN(C(=O)C(=O)c2ccccc2)CC1=O ZINC000194705441 395804412 /nfs/dbraw/zinc/80/44/12/395804412.db2.gz HCPCMZSKCPBZHA-UHFFFAOYSA-N 0 0 304.346 0.577 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724407 395805288 /nfs/dbraw/zinc/80/52/88/395805288.db2.gz ROXPXUKDLJQZCF-HIFRSBDPSA-N 0 0 321.352 0.766 10 0 DCAERN Cn1cc(NC(=O)NCCC(=O)N2CCCCC2)ccc1=O ZINC000194810485 395808834 /nfs/dbraw/zinc/80/88/34/395808834.db2.gz IVLFNFCTVZCPKJ-UHFFFAOYSA-N 0 0 306.366 0.909 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 ZINC000194882525 395811519 /nfs/dbraw/zinc/81/15/19/395811519.db2.gz JPOMXWHMKMFNIY-ZIAGYGMSSA-N 0 0 318.373 0.661 10 0 DCAERN O=C(NCCNC(=O)N1CCO[C@@H](c2nccs2)C1)C1CC1 ZINC000111802284 395813207 /nfs/dbraw/zinc/81/32/07/395813207.db2.gz PQBQKFSFLVFDOK-LLVKDONJSA-N 0 0 324.406 0.752 10 0 DCAERN CCc1nnc(CN2CCN(CC(=O)NC(C)C)CC2)n1C ZINC000195030036 395813360 /nfs/dbraw/zinc/81/33/60/395813360.db2.gz WWBYOODDNFRLTL-UHFFFAOYSA-N 0 0 308.430 0.020 10 0 DCAERN CCc1nnc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1C ZINC000195049511 395813988 /nfs/dbraw/zinc/81/39/88/395813988.db2.gz LYHRSPNDOCUDEH-ZDUSSCGKSA-N 0 0 321.425 0.448 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000195109546 395815878 /nfs/dbraw/zinc/81/58/78/395815878.db2.gz VFLXONNBYYGFIQ-CHWSQXEVSA-N 0 0 320.455 0.536 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@@]3(O)CCSC3)CCO2)cn1 ZINC000270861571 395817872 /nfs/dbraw/zinc/81/78/72/395817872.db2.gz LLGNZRIJJCNWSJ-UONOGXRCSA-N 0 0 311.407 0.362 10 0 DCAERN CC1(CNC(=O)NCC(=O)NCCc2ccccc2)COC1 ZINC000112723229 395822322 /nfs/dbraw/zinc/82/23/22/395822322.db2.gz RFMBZTBJSXHYHK-UHFFFAOYSA-N 0 0 305.378 0.681 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)NCC3(C)COC3)CCO2)n1 ZINC000112753388 395824150 /nfs/dbraw/zinc/82/41/50/395824150.db2.gz UKDDXVURKFOJBM-AWEZNQCLSA-N 0 0 322.409 0.947 10 0 DCAERN COC(=O)[C@@H](NC(=O)C(=O)c1cnn(C)c1)c1ccccc1 ZINC000195346369 395825367 /nfs/dbraw/zinc/82/53/67/395825367.db2.gz UZBSSZMWBNLODR-LBPRGKRZSA-N 0 0 301.302 0.633 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)[C@H](C)C(=O)NC(C)(C)C ZINC000195429238 395826088 /nfs/dbraw/zinc/82/60/88/395826088.db2.gz ANICJOGXEPIJRA-SECBINFHSA-N 0 0 317.415 0.472 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCNC(=O)C(C)(C)C ZINC000195416479 395826378 /nfs/dbraw/zinc/82/63/78/395826378.db2.gz CUWLGLNXJCDRKM-LBPRGKRZSA-N 0 0 311.426 0.912 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@]1(O)CCSC1 ZINC000270966248 395827072 /nfs/dbraw/zinc/82/70/72/395827072.db2.gz IHFVUWNXXVIZFX-FZMZJTMJSA-N 0 0 308.407 0.430 10 0 DCAERN CCOC(=O)c1c(C)c[nH]c1CC(=O)NCCN1CCOCC1 ZINC000113214638 395828463 /nfs/dbraw/zinc/82/84/63/395828463.db2.gz ZCASBDWGLJWLKX-UHFFFAOYSA-N 0 0 323.393 0.491 10 0 DCAERN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@@]21N1CCOCC1 ZINC000225408631 395859851 /nfs/dbraw/zinc/85/98/51/395859851.db2.gz LQQLVRMAHGKYSA-ZBINZKHDSA-N 0 0 305.358 0.784 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C2)cn1 ZINC000116422002 395844000 /nfs/dbraw/zinc/84/40/00/395844000.db2.gz BSWARFHVHHHXLW-ZDUSSCGKSA-N 0 0 319.409 0.932 10 0 DCAERN C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116833721 395847060 /nfs/dbraw/zinc/84/70/60/395847060.db2.gz JGENDUKCTAGWKF-VXGBXAGGSA-N 0 0 312.391 0.604 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c2ccccc21 ZINC000116834542 395847877 /nfs/dbraw/zinc/84/78/77/395847877.db2.gz JNSYDSBUTCPTTH-NSHDSACASA-N 0 0 321.402 0.942 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2cccs2)C1 ZINC000116933023 395849788 /nfs/dbraw/zinc/84/97/88/395849788.db2.gz ORQXOIQOXHQCFI-VIFPVBQESA-N 0 0 303.409 0.581 10 0 DCAERN COCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000117021824 395850411 /nfs/dbraw/zinc/85/04/11/395850411.db2.gz XYQSCCOVSJFLTB-HNNXBMFYSA-N 0 0 307.394 0.694 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)[C@@H](C)NC(N)=O)C2)c1 ZINC000117269399 395851363 /nfs/dbraw/zinc/85/13/63/395851363.db2.gz JZXBANLTVDHWLC-NEPJUHHUSA-N 0 0 320.393 0.837 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)CCN1CCOC ZINC000117299779 395851949 /nfs/dbraw/zinc/85/19/49/395851949.db2.gz PPNSUEZHTVULPN-HNNXBMFYSA-N 0 0 319.405 0.968 10 0 DCAERN COCCN1CCN(C(=O)NCCCc2cnn(C)c2)C[C@@H]1C ZINC000117490495 395852934 /nfs/dbraw/zinc/85/29/34/395852934.db2.gz MIAQAXGUGKSIKZ-AWEZNQCLSA-N 0 0 323.441 0.715 10 0 DCAERN O=C(Cn1cnnn1)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000194246754 395792136 /nfs/dbraw/zinc/79/21/36/395792136.db2.gz CFHKQSCODIRWJU-UHFFFAOYSA-N 0 0 324.344 0.200 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000194241993 395792185 /nfs/dbraw/zinc/79/21/85/395792185.db2.gz IDUHBCSBKNIQSI-GMSGAONNSA-N 0 0 316.404 0.406 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000194277381 395792871 /nfs/dbraw/zinc/79/28/71/395792871.db2.gz QOVFVMQGTDFLII-OUAUKWLOSA-N 0 0 308.407 0.753 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000194343560 395793907 /nfs/dbraw/zinc/79/39/07/395793907.db2.gz VJAJDVNETHBECI-QMTHXVAHSA-N 0 0 314.345 0.037 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000109036031 395796009 /nfs/dbraw/zinc/79/60/09/395796009.db2.gz CTTOJHPJRVDBIO-KCJUWKMLSA-N 0 0 302.334 0.893 10 0 DCAERN C[C@H]1CN(c2ccc(CNC(=O)NCCCO)cn2)C[C@H](C)O1 ZINC000047598326 395796959 /nfs/dbraw/zinc/79/69/59/395796959.db2.gz BCVKTBZVKKOWLI-STQMWFEESA-N 0 0 322.409 0.877 10 0 DCAERN CCc1cccc2c(CC(=O)N3CCO[C@H](C(N)=O)C3)c[nH]c21 ZINC000109264978 395797177 /nfs/dbraw/zinc/79/71/77/395797177.db2.gz UNUGDHBTOWHYGX-AWEZNQCLSA-N 0 0 315.373 0.986 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC(C)(C)C(=O)OC ZINC000234610014 395889504 /nfs/dbraw/zinc/88/95/04/395889504.db2.gz XHFOHEMTURXLFN-DTWKUNHWSA-N 0 0 307.368 0.199 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCc1cscn1 ZINC000234621824 395890187 /nfs/dbraw/zinc/89/01/87/395890187.db2.gz YHGLFXZCWYRLNE-VHSXEESVSA-N 0 0 304.393 0.904 10 0 DCAERN O=S(=O)(Cc1ccon1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000123034803 395891443 /nfs/dbraw/zinc/89/14/43/395891443.db2.gz IAAYQZFUCCELMB-MRVPVSSYSA-N 0 0 300.258 0.504 10 0 DCAERN CC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000123937488 395898649 /nfs/dbraw/zinc/89/86/49/395898649.db2.gz GVTYFCRHZUKDJN-GZBFAFLISA-N 0 0 305.378 0.878 10 0 DCAERN Cc1cnc(CCN(C)C(=O)[C@H](C)NS(C)(=O)=O)s1 ZINC000125655465 395904469 /nfs/dbraw/zinc/90/44/69/395904469.db2.gz YVKCEXOYQFLANX-VIFPVBQESA-N 0 0 305.425 0.390 10 0 DCAERN Cn1ncc(C(=O)NC[C@H]2CN(C)CCO2)c1Br ZINC000273289254 395912119 /nfs/dbraw/zinc/91/21/19/395912119.db2.gz XTVSSDQHQIWZJE-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN Cc1ncc(I)c(=O)n1CC[C@@H](C)O ZINC000134036379 395930793 /nfs/dbraw/zinc/93/07/93/395930793.db2.gz UMLPFQOSRGDCIH-ZCFIWIBFSA-N 0 0 308.119 0.927 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](Oc3ccccn3)C2)c1 ZINC000238928408 395923042 /nfs/dbraw/zinc/92/30/42/395923042.db2.gz UVOUSZSTXUITNN-LLVKDONJSA-N 0 0 308.363 0.657 10 0 DCAERN CN1C[C@H](NC(=O)CNC(=O)Cc2ccccc2)CCC1=O ZINC000131091469 395924085 /nfs/dbraw/zinc/92/40/85/395924085.db2.gz ZVWOEYJUMIRDSZ-CYBMUJFWSA-N 0 0 303.362 0.082 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000225685855 395862548 /nfs/dbraw/zinc/86/25/48/395862548.db2.gz BTYDBSPVJCFCOW-CHWSQXEVSA-N 0 0 303.355 0.910 10 0 DCAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNC(N)=O ZINC000052568285 395866118 /nfs/dbraw/zinc/86/61/18/395866118.db2.gz XDJMAWXJYKFDNS-UHFFFAOYSA-N 0 0 301.350 0.889 10 0 DCAERN C[C@H](CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)CS(C)(=O)=O ZINC000119062800 395866786 /nfs/dbraw/zinc/86/67/86/395866786.db2.gz NJAYQMDDVAUTLV-ZYHUDNBSSA-N 0 0 309.453 0.319 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000119803793 395875983 /nfs/dbraw/zinc/87/59/83/395875983.db2.gz HDBGQGJKOXLLQI-NSHDSACASA-N 0 0 303.366 0.467 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c1 ZINC000053382740 395882067 /nfs/dbraw/zinc/88/20/67/395882067.db2.gz OHSVFEVLWNZBPS-ZIAGYGMSSA-N 0 0 324.402 0.988 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)[C@@H]1CCCO1 ZINC000120367728 395882174 /nfs/dbraw/zinc/88/21/74/395882174.db2.gz OQVDREHJLVUWEG-SKDRFNHKSA-N 0 0 304.350 0.976 10 0 DCAERN CC(C)N(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CCC1 ZINC000121684525 395884511 /nfs/dbraw/zinc/88/45/11/395884511.db2.gz ICXPIQNMRSCHNA-UHFFFAOYSA-N 0 0 303.366 0.920 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000133427958 395928849 /nfs/dbraw/zinc/92/88/49/395928849.db2.gz AQKUUZCYZQRJBY-HUUCEWRRSA-N 0 0 317.389 0.991 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702079 395933686 /nfs/dbraw/zinc/93/36/86/395933686.db2.gz WHMPXOXLXUEHJA-LBPRGKRZSA-N 0 0 302.371 0.825 10 0 DCAERN CN(C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CCNC1=O ZINC000245681465 395934222 /nfs/dbraw/zinc/93/42/22/395934222.db2.gz KTYNJYYAGKDQIL-STQMWFEESA-N 0 0 309.435 0.942 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCCCN2CCCC2=O)[nH]n1 ZINC000134754115 395934717 /nfs/dbraw/zinc/93/47/17/395934717.db2.gz NTUBJCLJEWAOHI-LLVKDONJSA-N 0 0 307.398 0.961 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228622 395944630 /nfs/dbraw/zinc/94/46/30/395944630.db2.gz PZMSDJUDVKZJMT-ONGXEEELSA-N 0 0 311.304 0.026 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1 ZINC000246257643 395945556 /nfs/dbraw/zinc/94/55/56/395945556.db2.gz YXBSVIWBDKXSHR-CYZMBNFOSA-N 0 0 301.346 0.868 10 0 DCAERN C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)ncn2)CCS1 ZINC000274409048 395945899 /nfs/dbraw/zinc/94/58/99/395945899.db2.gz ZMXPUIONWXKKNW-NSHDSACASA-N 0 0 307.423 0.697 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC000246361248 395947877 /nfs/dbraw/zinc/94/78/77/395947877.db2.gz GEUCUEYUEDSDTF-FQUUOJAGSA-N 0 0 312.410 0.753 10 0 DCAERN C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1N1CCOCC1 ZINC000246430464 395949906 /nfs/dbraw/zinc/94/99/06/395949906.db2.gz GUYKEKSKJDNYJJ-DZGCQCFKSA-N 0 0 318.421 0.940 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000246523246 395952029 /nfs/dbraw/zinc/95/20/29/395952029.db2.gz UJLHLGFMWVQCIM-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CCN(C[C@H](C)CS(C)(=O)=O)[C@H](C)CS(=O)(=O)CC ZINC000246557210 395952710 /nfs/dbraw/zinc/95/27/10/395952710.db2.gz NAOSIVJDTTZRIJ-NWDGAFQWSA-N 0 0 313.485 0.812 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n(C)n1 ZINC000246619983 395954004 /nfs/dbraw/zinc/95/40/04/395954004.db2.gz YRQUDJGDJUTNIE-OCCSQVGLSA-N 0 0 321.425 0.320 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246790465 395957865 /nfs/dbraw/zinc/95/78/65/395957865.db2.gz PKXYJCAWVGAQSX-MGPQQGTHSA-N 0 0 320.455 0.584 10 0 DCAERN CCS(=O)(=O)NCCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246790410 395958057 /nfs/dbraw/zinc/95/80/57/395958057.db2.gz PKXYJCAWVGAQSX-BFHYXJOUSA-N 0 0 320.455 0.584 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000059748158 395960023 /nfs/dbraw/zinc/96/00/23/395960023.db2.gz CULFWEXKEAHBSX-LBPRGKRZSA-N 0 0 305.444 0.763 10 0 DCAERN CS(=O)(=O)CCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247323782 395971647 /nfs/dbraw/zinc/97/16/47/395971647.db2.gz WJLPOAWXFDGAMQ-MGPQQGTHSA-N 0 0 308.403 0.916 10 0 DCAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC(CO)C1 ZINC000274737235 395972457 /nfs/dbraw/zinc/97/24/57/395972457.db2.gz IFBYORAQJRWZCK-UHFFFAOYSA-N 0 0 319.766 0.724 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000150773551 395972799 /nfs/dbraw/zinc/97/27/99/395972799.db2.gz DAXVRJYUNALWFM-VIFPVBQESA-N 0 0 315.395 0.061 10 0 DCAERN C[C@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151243984 395981876 /nfs/dbraw/zinc/98/18/76/395981876.db2.gz XSKKVGKTURPBTE-UWVGGRQHSA-N 0 0 302.338 0.501 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248166653 395983378 /nfs/dbraw/zinc/98/33/78/395983378.db2.gz TWHXYGDVJAWDHS-MBNYWOFBSA-N 0 0 318.439 0.756 10 0 DCAERN Cc1noc(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 ZINC000064315411 395985507 /nfs/dbraw/zinc/98/55/07/395985507.db2.gz FBFHJDQHDZRRHB-GHMZBOCLSA-N 0 0 320.349 0.212 10 0 DCAERN Cc1noc(CCNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC000151466892 395985948 /nfs/dbraw/zinc/98/59/48/395985948.db2.gz ASJJDIDZRWNSPW-QWRGUYRKSA-N 0 0 307.354 0.373 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000248453816 395987994 /nfs/dbraw/zinc/98/79/94/395987994.db2.gz LJDYMRWADBKONH-IHRRRGAJSA-N 0 0 319.409 0.858 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2cncnc21)NCc1ccco1 ZINC000065256887 395990970 /nfs/dbraw/zinc/99/09/70/395990970.db2.gz KZKVCSUXTZUDCG-UHFFFAOYSA-N 0 0 302.294 0.212 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000151866558 395995020 /nfs/dbraw/zinc/99/50/20/395995020.db2.gz XEZVFULDRKAYBK-VTPLQMEGSA-N 0 0 313.419 0.885 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCCNC(=O)[C@H]3C)ccc2O1 ZINC000248748325 395996427 /nfs/dbraw/zinc/99/64/27/395996427.db2.gz JWJJIENJJPDTAX-GHMZBOCLSA-N 0 0 324.402 0.909 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248807203 395997462 /nfs/dbraw/zinc/99/74/62/395997462.db2.gz HCFDGBKVTRLLNO-PAURTPPISA-N 0 0 324.421 0.896 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)C1=NNC(=O)CC1 ZINC000153760061 396026001 /nfs/dbraw/zinc/02/60/01/396026001.db2.gz XPAUPVBOBJHUDA-VIFPVBQESA-N 0 0 305.313 0.182 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)C[C@H]1COC ZINC000253399550 396027275 /nfs/dbraw/zinc/02/72/75/396027275.db2.gz DAYKGMHMBFHBGG-WCQYABFASA-N 0 0 309.366 0.301 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 ZINC000067615634 396029483 /nfs/dbraw/zinc/02/94/83/396029483.db2.gz WKPAZDXUQRHISV-CYBMUJFWSA-N 0 0 305.378 0.858 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2C)cn1 ZINC000154120834 396032388 /nfs/dbraw/zinc/03/23/88/396032388.db2.gz YJOHOKVRMSCFMS-GHMZBOCLSA-N 0 0 321.381 0.215 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cnc(C)cn1 ZINC000154953729 396045621 /nfs/dbraw/zinc/04/56/21/396045621.db2.gz GLCAGIBXMUXFAA-JTQLQIEISA-N 0 0 302.338 0.788 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155594688 396055116 /nfs/dbraw/zinc/05/51/16/396055116.db2.gz KBHXIRZMEIGKOH-BETUJISGSA-N 0 0 304.456 0.998 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)Cc1noc(CN)n1 ZINC000261850875 396072898 /nfs/dbraw/zinc/07/28/98/396072898.db2.gz VHYUNKSZPLXTKQ-UHFFFAOYSA-N 0 0 321.356 0.806 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155851607 396058523 /nfs/dbraw/zinc/05/85/23/396058523.db2.gz FRNBFQDJUKEKPN-QWRGUYRKSA-N 0 0 301.350 0.969 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159326786 396067931 /nfs/dbraw/zinc/06/79/31/396067931.db2.gz ZIZQAJYUWYJVPN-UHFFFAOYSA-N 0 0 316.427 0.423 10 0 DCAERN C[C@@H](NC(=O)CN1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230975 396003694 /nfs/dbraw/zinc/00/36/94/396003694.db2.gz APANJEDDARVOEZ-OCCSQVGLSA-N 0 0 320.393 0.128 10 0 DCAERN NC(=O)C1(NCc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000152417641 396009180 /nfs/dbraw/zinc/00/91/80/396009180.db2.gz PRMQAYMYSNGOAO-UHFFFAOYSA-N 0 0 304.375 0.581 10 0 DCAERN CC[C@@H]1CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000252443486 396019288 /nfs/dbraw/zinc/01/92/88/396019288.db2.gz ZKEDNKPKUYYANQ-OUCADQQQSA-N 0 0 311.426 0.611 10 0 DCAERN C[C@H](O)Cn1cnc(Cl)c(I)c1=O ZINC000166339348 396088756 /nfs/dbraw/zinc/08/87/56/396088756.db2.gz XXTXTWWRNONWTC-BYPYZUCNSA-N 0 0 314.510 0.882 10 0 DCAERN Cc1noc([C@H]2CCN(C(=O)N(C)C)C[C@H]2NC(=O)C2CC2)n1 ZINC000169784271 396092649 /nfs/dbraw/zinc/09/26/49/396092649.db2.gz LWYXUIPXJKORDV-NWDGAFQWSA-N 0 0 321.381 0.744 10 0 DCAERN CN[C@@H](C(=O)NCCNC(=O)c1ccccc1)c1cnn(C)c1 ZINC000262052085 396094049 /nfs/dbraw/zinc/09/40/49/396094049.db2.gz HMGNZNCCXNAEMU-CQSZACIVSA-N 0 0 315.377 0.227 10 0 DCAERN COCCN1C[C@H](C(=O)NCc2ccc(CO)c(F)c2)CC1=O ZINC000170854016 396098944 /nfs/dbraw/zinc/09/89/44/396098944.db2.gz VKHDHHWAEXGORN-CYBMUJFWSA-N 0 0 324.352 0.429 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000070302936 396100611 /nfs/dbraw/zinc/10/06/11/396100611.db2.gz ISRKWPWCLKDOMD-UHFFFAOYSA-N 0 0 312.391 0.338 10 0 DCAERN C[C@H]1NC(C(=O)N[C@@H]2CCCOC2)=NN(c2ccccc2)C1=O ZINC000170935360 396102384 /nfs/dbraw/zinc/10/23/84/396102384.db2.gz WYJUWORBHAPPBA-VXGBXAGGSA-N 0 0 316.361 0.620 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)no1 ZINC000171240816 396111781 /nfs/dbraw/zinc/11/17/81/396111781.db2.gz IMGOCMTXWNGKOP-NSHDSACASA-N 0 0 319.365 0.767 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706374 396122320 /nfs/dbraw/zinc/12/23/20/396122320.db2.gz PZMQUPKJWXPKME-LSDHHAIUSA-N 0 0 307.394 0.220 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)Nc2cnn(CC3CC3)c2)C1=O ZINC000173376833 396134627 /nfs/dbraw/zinc/13/46/27/396134627.db2.gz REJWIMBCGAVSLX-UHFFFAOYSA-N 0 0 305.338 0.562 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)c2ccc(C(N)=O)nn2)C1 ZINC000278665548 396138066 /nfs/dbraw/zinc/13/80/66/396138066.db2.gz FPPXNQXZPZTMIY-GFCCVEGCSA-N 0 0 305.382 0.123 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@H]1COCCO1 ZINC000261912620 396078691 /nfs/dbraw/zinc/07/86/91/396078691.db2.gz HUAZKQHCRDLILL-UKRRQHHQSA-N 0 0 306.362 0.584 10 0 DCAERN Cn1nccc1CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000277639301 396079097 /nfs/dbraw/zinc/07/90/97/396079097.db2.gz DFHNDFDIHYBOIK-ZDUSSCGKSA-N 0 0 304.394 0.727 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069537375 396082939 /nfs/dbraw/zinc/08/29/39/396082939.db2.gz ARTRNGXCCKVCOE-CHWSQXEVSA-N 0 0 312.410 0.897 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2CCNC[C@@H]2c2cccnc2)C1 ZINC000261959961 396084271 /nfs/dbraw/zinc/08/42/71/396084271.db2.gz MHFVTFKEVDWOQF-HUUCEWRRSA-N 0 0 304.394 0.275 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176083385 396149589 /nfs/dbraw/zinc/14/95/89/396149589.db2.gz TZEJWTJAIDRKKI-PRHODGIISA-N 0 0 307.325 0.991 10 0 DCAERN CC[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)C(=O)OC ZINC000176193687 396151728 /nfs/dbraw/zinc/15/17/28/396151728.db2.gz SHSSJSDIIZFLQE-SNVBAGLBSA-N 0 0 323.740 0.997 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCC1 ZINC000176352809 396153814 /nfs/dbraw/zinc/15/38/14/396153814.db2.gz BPDWPDWZRLJKLE-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000176459136 396155675 /nfs/dbraw/zinc/15/56/75/396155675.db2.gz ARVRMMXAOATTDS-IUCAKERBSA-N 0 0 318.420 0.906 10 0 DCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)CCc1ccccc1O ZINC000176569191 396157269 /nfs/dbraw/zinc/15/72/69/396157269.db2.gz HSQRFXZXVYJAGN-HNNXBMFYSA-N 0 0 322.405 0.476 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000176589812 396158369 /nfs/dbraw/zinc/15/83/69/396158369.db2.gz WZEFENFMYFCESU-HUUCEWRRSA-N 0 0 320.389 0.501 10 0 DCAERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)[C@H]1COCCN1 ZINC000262638824 396165927 /nfs/dbraw/zinc/16/59/27/396165927.db2.gz JKAAQWOMNDYHRY-GXFFZTMASA-N 0 0 311.332 0.648 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178848187 396210675 /nfs/dbraw/zinc/21/06/75/396210675.db2.gz ICHURTDZRKVTEK-JQWIXIFHSA-N 0 0 312.391 0.710 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000177181272 396168204 /nfs/dbraw/zinc/16/82/04/396168204.db2.gz IRDJOXTXIQXVIU-GFCCVEGCSA-N 0 0 308.407 0.715 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCCOCC3)C2)cn1 ZINC000074615101 396169480 /nfs/dbraw/zinc/16/94/80/396169480.db2.gz SGVBUQLSBNQBBN-CYBMUJFWSA-N 0 0 307.398 0.821 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000177303958 396171303 /nfs/dbraw/zinc/17/13/03/396171303.db2.gz NDGWVRLSNSZZLL-LBPRGKRZSA-N 0 0 319.409 0.110 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263281705 396211271 /nfs/dbraw/zinc/21/12/71/396211271.db2.gz UJHZKWVQFXMGDP-NWDGAFQWSA-N 0 0 303.353 0.164 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177519626 396178025 /nfs/dbraw/zinc/17/80/25/396178025.db2.gz SIEHDAWFSNPGBL-RYUDHWBXSA-N 0 0 314.411 0.490 10 0 DCAERN O=S(=O)(Cc1coc(-c2cccs2)n1)C[C@@H](O)CO ZINC000177674043 396181170 /nfs/dbraw/zinc/18/11/70/396181170.db2.gz OCXABAAWVGUMKX-VIFPVBQESA-N 0 0 303.361 0.671 10 0 DCAERN C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177671786 396181329 /nfs/dbraw/zinc/18/13/29/396181329.db2.gz SWJLDTPMBSCPCH-ONGXEEELSA-N 0 0 312.347 0.566 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000177807175 396184494 /nfs/dbraw/zinc/18/44/94/396184494.db2.gz PRILNOWHKWLVGN-VHSXEESVSA-N 0 0 318.333 0.808 10 0 DCAERN C[C@@H](CNC(=O)NCc1ccn2ccnc2c1)N1CCOCC1 ZINC000177920848 396185762 /nfs/dbraw/zinc/18/57/62/396185762.db2.gz JQYJZGGIIHMRDB-ZDUSSCGKSA-N 0 0 317.393 0.854 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccon2)CC1 ZINC000075857616 396188357 /nfs/dbraw/zinc/18/83/57/396188357.db2.gz VMESWKDHZHGPOU-UHFFFAOYSA-N 0 0 323.397 0.417 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000076099164 396196749 /nfs/dbraw/zinc/19/67/49/396196749.db2.gz VNKPKZIGCSNUQT-GWCFXTLKSA-N 0 0 303.362 0.780 10 0 DCAERN O=C(NCCNC(=O)[C@H]1CC(F)(F)CN1)c1ccc(F)cc1 ZINC000263102599 396201448 /nfs/dbraw/zinc/20/14/48/396201448.db2.gz ZQAHOPMMZDFWJJ-LLVKDONJSA-N 0 0 315.295 0.669 10 0 DCAERN C[C@@H](C(=O)NCc1cn(C)nc1C(F)(F)F)n1cncn1 ZINC000178642062 396202865 /nfs/dbraw/zinc/20/28/65/396202865.db2.gz SZIOJIDUIQDJHT-ZETCQYMHSA-N 0 0 302.260 0.908 10 0 DCAERN COCC(=O)N(C)CC(=O)NCCCc1c(C)nn(C)c1C ZINC000180786157 396234436 /nfs/dbraw/zinc/23/44/36/396234436.db2.gz NYFGGUBBZQSRRZ-UHFFFAOYSA-N 0 0 310.398 0.191 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCN(C)C1=O ZINC000180994567 396236418 /nfs/dbraw/zinc/23/64/18/396236418.db2.gz NNFTZQFKNLUGGB-ZDUSSCGKSA-N 0 0 307.398 0.499 10 0 DCAERN COC[C@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181111146 396237140 /nfs/dbraw/zinc/23/71/40/396237140.db2.gz QHLZQLPWYIQUTR-SNVBAGLBSA-N 0 0 317.411 0.288 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCc1cc[nH]n1)CC2 ZINC000181489128 396239786 /nfs/dbraw/zinc/23/97/86/396239786.db2.gz AXJHDLVCOJNDDN-LLVKDONJSA-N 0 0 303.370 0.939 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H]2C(=O)NCC[C@H]2C)cc1 ZINC000281800637 396241220 /nfs/dbraw/zinc/24/12/20/396241220.db2.gz LRKWSYZLSHFJQN-QMTHXVAHSA-N 0 0 303.362 0.924 10 0 DCAERN CCOc1ccccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181788130 396242301 /nfs/dbraw/zinc/24/23/01/396242301.db2.gz GUMURGRKNIQPPD-UHFFFAOYSA-N 0 0 317.349 0.822 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)[C@@H](C)N1CCOCC1 ZINC000182726971 396253381 /nfs/dbraw/zinc/25/33/81/396253381.db2.gz RJWULWUDCDBDNG-CHWSQXEVSA-N 0 0 310.402 0.077 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1F ZINC000282096557 396263242 /nfs/dbraw/zinc/26/32/42/396263242.db2.gz SFBUINPDNAFYFV-UHFFFAOYSA-N 0 0 316.354 0.733 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1cnn(C)c1C ZINC000183216783 396264466 /nfs/dbraw/zinc/26/44/66/396264466.db2.gz KYZXPRQGWRHLOQ-UHFFFAOYSA-N 0 0 314.349 0.949 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1ccccc1F ZINC000282141516 396266664 /nfs/dbraw/zinc/26/66/64/396266664.db2.gz WESALVIPKJFTGJ-UHFFFAOYSA-N 0 0 300.355 0.866 10 0 DCAERN COCCn1cc(NC(=O)Cn2c(=O)[nH]c3ccccc32)cn1 ZINC000079661018 396269219 /nfs/dbraw/zinc/26/92/19/396269219.db2.gz UXFXWHGIELWEBR-UHFFFAOYSA-N 0 0 315.333 0.811 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000183591789 396271780 /nfs/dbraw/zinc/27/17/80/396271780.db2.gz DQLPHXMGXZYPPV-FIKIJFGZSA-N 0 0 314.411 0.269 10 0 DCAERN NC(=O)Cn1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)nn1 ZINC000080622508 396283137 /nfs/dbraw/zinc/28/31/37/396283137.db2.gz TXUSFKBSYOLJBY-GFCCVEGCSA-N 0 0 321.381 0.327 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@]2(CCCOC2)C1 ZINC000079991768 396273933 /nfs/dbraw/zinc/27/39/33/396273933.db2.gz RQTSHXORXNIJOV-INIZCTEOSA-N 0 0 308.378 0.945 10 0 DCAERN O=C(CNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O)NCC1CC1 ZINC000183796496 396275485 /nfs/dbraw/zinc/27/54/85/396275485.db2.gz PSIZOSUBRMDSNO-ZFWWWQNUSA-N 0 0 303.362 0.470 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1nccn(C)c1=O ZINC000183838785 396276167 /nfs/dbraw/zinc/27/61/67/396276167.db2.gz JFAPLXHXXNPKMD-NSHDSACASA-N 0 0 321.381 0.645 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000183952594 396279072 /nfs/dbraw/zinc/27/90/72/396279072.db2.gz QEQJACFEESHQMB-CHWSQXEVSA-N 0 0 320.389 0.791 10 0 DCAERN NS(=O)(=O)CCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178901039 396213837 /nfs/dbraw/zinc/21/38/37/396213837.db2.gz DQHHEAHFYPKDFE-GWCFXTLKSA-N 0 0 320.361 0.751 10 0 DCAERN COC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000179141822 396222057 /nfs/dbraw/zinc/22/20/57/396222057.db2.gz ILIABLGHROGBRT-UHFFFAOYSA-N 0 0 320.436 0.876 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1F ZINC000179647451 396228455 /nfs/dbraw/zinc/22/84/55/396228455.db2.gz ZABVHRSDILKVSE-HNNXBMFYSA-N 0 0 310.325 0.594 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)cn12 ZINC000263790104 396231824 /nfs/dbraw/zinc/23/18/24/396231824.db2.gz JROVEECOPLGYIO-GFCCVEGCSA-N 0 0 301.350 0.731 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000077778133 396232976 /nfs/dbraw/zinc/23/29/76/396232976.db2.gz YIKLNLLBFGPZBT-FRRDWIJNSA-N 0 0 307.398 0.762 10 0 DCAERN CC(C)[C@H](NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(N)=O ZINC000184991126 396313654 /nfs/dbraw/zinc/31/36/54/396313654.db2.gz CYJWILRGIQYYBG-AAEUAGOBSA-N 0 0 322.413 0.198 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccccc2F)C1 ZINC000185089898 396316913 /nfs/dbraw/zinc/31/69/13/396316913.db2.gz VDEGDMFQJZFZDO-GFCCVEGCSA-N 0 0 312.341 0.012 10 0 DCAERN Cc1nc(CNC(=O)CSc2nnnn2C2CCCC2)no1 ZINC000265442414 396318061 /nfs/dbraw/zinc/31/80/61/396318061.db2.gz LFGPIIJDRVEGSX-UHFFFAOYSA-N 0 0 323.382 0.888 10 0 DCAERN COc1cc(N2CCN(C[C@@H](O)COCC(C)C)CC2)ncn1 ZINC000184094791 396285552 /nfs/dbraw/zinc/28/55/52/396285552.db2.gz ZBHUMSJAQZGTBG-CQSZACIVSA-N 0 0 324.425 0.641 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282408822 396287941 /nfs/dbraw/zinc/28/79/41/396287941.db2.gz YCTZFHQJVIRZEZ-LLVKDONJSA-N 0 0 303.362 0.990 10 0 DCAERN Cc1ccc(C(=O)CCCC(=O)NCCOCC(N)=O)cc1 ZINC000184571921 396299484 /nfs/dbraw/zinc/29/94/84/396299484.db2.gz IJOVNNGKNSQGCT-UHFFFAOYSA-N 0 0 306.362 0.966 10 0 DCAERN COCCN1C[C@H](C(=O)N(C)[C@H](CO)CC(C)C)CC1=O ZINC000184628571 396300871 /nfs/dbraw/zinc/30/08/71/396300871.db2.gz SLOCQRKLNJGNFB-OLZOCXBDSA-N 0 0 300.399 0.347 10 0 DCAERN CN(C)[C@@H](CNC(=O)NCCCn1ccnn1)c1ccco1 ZINC000184703127 396302353 /nfs/dbraw/zinc/30/23/53/396302353.db2.gz LXCFFWGIDWVDNE-LBPRGKRZSA-N 0 0 306.370 0.863 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000265568092 396327385 /nfs/dbraw/zinc/32/73/85/396327385.db2.gz NSDFHNCMPIUIGD-NWDGAFQWSA-N 0 0 315.381 0.612 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCc1cc(F)cc(F)c1 ZINC000185188889 396321267 /nfs/dbraw/zinc/32/12/67/396321267.db2.gz SLJIBAFGVLLMSP-OLZOCXBDSA-N 0 0 300.305 0.009 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000185235443 396322394 /nfs/dbraw/zinc/32/23/94/396322394.db2.gz BJPMXYLDULPWSF-NSHDSACASA-N 0 0 301.350 0.567 10 0 DCAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)CC(=O)NC ZINC000185521560 396329131 /nfs/dbraw/zinc/32/91/31/396329131.db2.gz AQTHSWMPQIKYEB-LLVKDONJSA-N 0 0 312.391 0.491 10 0 DCAERN O=C(NC1CN(C[C@H](O)COCc2ccco2)C1)C1CCC1 ZINC000185935892 396337978 /nfs/dbraw/zinc/33/79/78/396337978.db2.gz ILKUKNKRQCMFCE-AWEZNQCLSA-N 0 0 308.378 0.758 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186053095 396339787 /nfs/dbraw/zinc/33/97/87/396339787.db2.gz GUGPCACXVVSVNY-UHFFFAOYSA-N 0 0 320.397 0.207 10 0 DCAERN C[C@H](c1nccs1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000185784069 396335044 /nfs/dbraw/zinc/33/50/44/396335044.db2.gz PHNMHMQMSSXJKY-MNOVXSKESA-N 0 0 308.407 0.484 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000186201681 396344354 /nfs/dbraw/zinc/34/43/54/396344354.db2.gz FUSMGFKHPQLYRC-UHFFFAOYSA-N 0 0 307.398 0.787 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186234430 396345564 /nfs/dbraw/zinc/34/55/64/396345564.db2.gz VUEVTJOVKZQCHL-UHFFFAOYSA-N 0 0 319.409 0.782 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000186234726 396345570 /nfs/dbraw/zinc/34/55/70/396345570.db2.gz SVFXIIWIUAWSBM-CYBMUJFWSA-N 0 0 306.366 0.723 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000186262678 396346171 /nfs/dbraw/zinc/34/61/71/396346171.db2.gz AXRGMYVMGCYYQD-AWEZNQCLSA-N 0 0 322.471 0.689 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@](O)(c3cn[nH]n3)C2)c(C)c1 ZINC000285000642 396347401 /nfs/dbraw/zinc/34/74/01/396347401.db2.gz MAHAJKRPSRCIEM-CQSZACIVSA-N 0 0 322.390 0.704 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186717803 396355930 /nfs/dbraw/zinc/35/59/30/396355930.db2.gz KXUXUDJHDKMJHK-UHFFFAOYSA-N 0 0 310.398 0.069 10 0 DCAERN O=C(CSc1ccc(C(F)(F)F)nn1)N1CCNC(=O)C1 ZINC000186898122 396359686 /nfs/dbraw/zinc/35/96/86/396359686.db2.gz WSVBLIZGLZTAPL-UHFFFAOYSA-N 0 0 320.296 0.546 10 0 DCAERN Cc1cc(N2CCN(C(=O)NC3CCC(O)CC3)CC2)n[nH]1 ZINC000187823912 396374590 /nfs/dbraw/zinc/37/45/90/396374590.db2.gz UWYIMOXGCQUKQT-UHFFFAOYSA-N 0 0 307.398 0.853 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187476671 396370674 /nfs/dbraw/zinc/37/06/74/396370674.db2.gz FFFWZHDOORUWIX-ONGXEEELSA-N 0 0 306.370 0.294 10 0 DCAERN CC(F)(F)c1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000187607453 396371615 /nfs/dbraw/zinc/37/16/15/396371615.db2.gz PCTMYQGUADKCKH-JTQLQIEISA-N 0 0 302.277 0.206 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NCc1ccc(Cl)cn1 ZINC000187708116 396372754 /nfs/dbraw/zinc/37/27/54/396372754.db2.gz ZNSYBYMCHYRZHB-UHFFFAOYSA-N 0 0 306.775 0.083 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000187843321 396375450 /nfs/dbraw/zinc/37/54/50/396375450.db2.gz AGLBHAZUJPCPLL-NWDGAFQWSA-N 0 0 308.386 0.491 10 0 DCAERN Cn1nccc1C1=CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000285156426 396348448 /nfs/dbraw/zinc/34/84/48/396348448.db2.gz SFXQWDMXIQMYHM-CYBMUJFWSA-N 0 0 317.393 0.888 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)c2nccnc2N)C12CCOCC2 ZINC000186459671 396350253 /nfs/dbraw/zinc/35/02/53/396350253.db2.gz GIWUMESNLAEMSH-QWRGUYRKSA-N 0 0 306.366 0.763 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000188631483 396383446 /nfs/dbraw/zinc/38/34/46/396383446.db2.gz OHZORWGRVAVIQB-APHBMKBZSA-N 0 0 319.405 0.609 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188787313 396386200 /nfs/dbraw/zinc/38/62/00/396386200.db2.gz SETQSYCPAMVETJ-UHFFFAOYSA-N 0 0 310.398 0.211 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188815414 396387106 /nfs/dbraw/zinc/38/71/06/396387106.db2.gz MGZOEPHMVMTCPB-LLVKDONJSA-N 0 0 322.409 0.307 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188903996 396388413 /nfs/dbraw/zinc/38/84/13/396388413.db2.gz YXFFDSRAPUUBRJ-UHFFFAOYSA-N 0 0 310.398 0.069 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000188939264 396389414 /nfs/dbraw/zinc/38/94/14/396389414.db2.gz NDUPARFGBZNDCB-LBPRGKRZSA-N 0 0 309.410 0.618 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1=O ZINC000189050108 396389886 /nfs/dbraw/zinc/38/98/86/396389886.db2.gz ROIIKLHOCGHYKM-NSHDSACASA-N 0 0 322.409 0.837 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000189043430 396389911 /nfs/dbraw/zinc/38/99/11/396389911.db2.gz VWRJZWYMXYXRDU-CYBMUJFWSA-N 0 0 306.410 0.911 10 0 DCAERN COCCN1CCCN(C(=O)C(C)(C)CCOC)CC1=O ZINC000189057261 396390681 /nfs/dbraw/zinc/39/06/81/396390681.db2.gz IEAYIELHVHXCKO-UHFFFAOYSA-N 0 0 300.399 0.756 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000189352169 396394272 /nfs/dbraw/zinc/39/42/72/396394272.db2.gz IPDAAEHONHAMMQ-MGPQQGTHSA-N 0 0 303.362 0.881 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189643740 396396881 /nfs/dbraw/zinc/39/68/81/396396881.db2.gz CMMHKNKWUNBJGD-UHFFFAOYSA-N 0 0 308.386 0.076 10 0 DCAERN CCS(=O)(=O)CCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189651655 396397261 /nfs/dbraw/zinc/39/72/61/396397261.db2.gz YGGCODUWXYVVHD-UHFFFAOYSA-N 0 0 312.439 0.844 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCCN(C)C(=O)C1)C(C)C ZINC000189767909 396398877 /nfs/dbraw/zinc/39/88/77/396398877.db2.gz QAAKDTFDAKHKTA-OAHLLOKOSA-N 0 0 311.426 0.864 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189776809 396399029 /nfs/dbraw/zinc/39/90/29/396399029.db2.gz DNUZPMXSWXFPDK-KBPBESRZSA-N 0 0 323.437 0.962 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 ZINC000189797565 396399614 /nfs/dbraw/zinc/39/96/14/396399614.db2.gz IUMZHYPJZRTYMM-UHFFFAOYSA-N 0 0 314.349 0.297 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3cc(C(N)=O)cn3C)CC2)n[nH]1 ZINC000189786436 396399629 /nfs/dbraw/zinc/39/96/29/396399629.db2.gz RNGYHCVSBSYBIW-UHFFFAOYSA-N 0 0 316.365 0.118 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC000189938491 396400645 /nfs/dbraw/zinc/40/06/45/396400645.db2.gz NMHJFWCRVVPBOP-NSHDSACASA-N 0 0 315.333 0.325 10 0 DCAERN COc1cc(N2CCN(C[C@@H](O)CC(F)(F)F)CC2)ncn1 ZINC000189977290 396401306 /nfs/dbraw/zinc/40/13/06/396401306.db2.gz CHMPAHQGBKYMAG-JTQLQIEISA-N 0 0 320.315 0.921 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190147606 396402641 /nfs/dbraw/zinc/40/26/41/396402641.db2.gz POPSWNRBWMGCHF-LLVKDONJSA-N 0 0 302.338 0.836 10 0 DCAERN CCN1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1=O ZINC000190520950 396406982 /nfs/dbraw/zinc/40/69/82/396406982.db2.gz ZDTYYMGTKIOBRJ-UHFFFAOYSA-N 0 0 322.409 0.562 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CC1=O ZINC000190531918 396407627 /nfs/dbraw/zinc/40/76/27/396407627.db2.gz HTSUXLHQXQGZRR-UHFFFAOYSA-N 0 0 303.362 0.681 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000190558203 396407974 /nfs/dbraw/zinc/40/79/74/396407974.db2.gz VRWUEYYVLVSVIT-AWEZNQCLSA-N 0 0 320.455 0.715 10 0 DCAERN COCCN1CCCN([C@@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772278 396410907 /nfs/dbraw/zinc/41/09/07/396410907.db2.gz JLVDBLCQOPWSJQ-AWEZNQCLSA-N 0 0 313.442 0.718 10 0 DCAERN COCCN1CCCN(Cc2ncc(Cl)n2C)CC1=O ZINC000190755574 396411105 /nfs/dbraw/zinc/41/11/05/396411105.db2.gz OFWZLUKRAGBESE-UHFFFAOYSA-N 0 0 300.790 0.754 10 0 DCAERN COCCN1CCCN(CC(=O)N(C)c2ccccc2)CC1=O ZINC000190797705 396411615 /nfs/dbraw/zinc/41/16/15/396411615.db2.gz BCUWJIFVQAIODT-UHFFFAOYSA-N 0 0 319.405 0.830 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1F)N1CCCN(C)C(=O)C1 ZINC000191131357 396415699 /nfs/dbraw/zinc/41/56/99/396415699.db2.gz VYZJNSYGDQSLRE-GFCCVEGCSA-N 0 0 307.369 0.995 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193162251 396445100 /nfs/dbraw/zinc/44/51/00/396445100.db2.gz HIEAATGFTAFJAE-JTQLQIEISA-N 0 0 324.406 0.942 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1=O ZINC000191220747 396417685 /nfs/dbraw/zinc/41/76/85/396417685.db2.gz GFZYZSAZEJZVPQ-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccccc2N(C)C)CC1=O ZINC000191512769 396420819 /nfs/dbraw/zinc/42/08/19/396420819.db2.gz XLGNVAMFFQBTCE-UHFFFAOYSA-N 0 0 304.350 0.339 10 0 DCAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)ccc1-n1cncn1 ZINC000191765176 396424670 /nfs/dbraw/zinc/42/46/70/396424670.db2.gz HFNAZUOTWOWKJD-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN CC(C)(C)[C@H](O)CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000269779358 396445541 /nfs/dbraw/zinc/44/55/41/396445541.db2.gz OLOBUZZSMSOCDY-LLVKDONJSA-N 0 0 300.380 0.471 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)CCc2cccs2)C1 ZINC000192018983 396428506 /nfs/dbraw/zinc/42/85/06/396428506.db2.gz PDIKLGXZDPPVAI-NSHDSACASA-N 0 0 304.437 0.541 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000192962458 396441041 /nfs/dbraw/zinc/44/10/41/396441041.db2.gz HFNSRPRXWFNBDA-UWVGGRQHSA-N 0 0 302.338 0.501 10 0 DCAERN CC(=O)NC1CN(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000193003106 396442531 /nfs/dbraw/zinc/44/25/31/396442531.db2.gz TWXKRYTXOJDMGF-UHFFFAOYSA-N 0 0 300.355 0.420 10 0 DCAERN CN1C[C@@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1=O ZINC000188098520 396378914 /nfs/dbraw/zinc/37/89/14/396378914.db2.gz KOJQFAAPIUQOPI-LBPRGKRZSA-N 0 0 317.393 0.414 10 0 DCAERN CCN1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)CC1=O ZINC000188089992 396378921 /nfs/dbraw/zinc/37/89/21/396378921.db2.gz JVBBBCDEPCDIJS-UHFFFAOYSA-N 0 0 318.377 0.278 10 0 DCAERN Cn1cc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cn1 ZINC000188089039 396378925 /nfs/dbraw/zinc/37/89/25/396378925.db2.gz PTIOMIONOGXWDA-UHFFFAOYSA-N 0 0 300.366 0.983 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@H](F)C[C@@H]2CO)c1C ZINC000372419538 396516339 /nfs/dbraw/zinc/51/63/39/396516339.db2.gz CVKRAHFXHBSAEH-GHMZBOCLSA-N 0 0 305.375 0.613 10 0 DCAERN Cc1ccoc1CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000291707888 396508337 /nfs/dbraw/zinc/50/83/37/396508337.db2.gz GAVLHEONHCUMEJ-AWEZNQCLSA-N 0 0 306.322 0.424 10 0 DCAERN O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1[C@@H]1COc2ccc(F)cc2C1 ZINC000288788080 396448034 /nfs/dbraw/zinc/44/80/34/396448034.db2.gz XIZBDNZFXGKZMR-SCRDCRAPSA-N 0 0 320.320 0.917 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@H](C)S1(=O)=O ZINC000289452439 396460380 /nfs/dbraw/zinc/46/03/80/396460380.db2.gz GBHXSWIBKKKVLY-AOOOYVTPSA-N 0 0 318.420 0.465 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000371709516 396474962 /nfs/dbraw/zinc/47/49/62/396474962.db2.gz VTAVPUNJCQLAJN-MLMJSJRWSA-N 0 0 324.402 0.833 10 0 DCAERN O=C(NC[C@H](O)C1CC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000371803433 396477333 /nfs/dbraw/zinc/47/73/33/396477333.db2.gz PKXOPPMYZZXRHL-KGLIPLIRSA-N 0 0 318.377 0.647 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371953119 396480881 /nfs/dbraw/zinc/48/08/81/396480881.db2.gz JNOWDSITOZQDOP-QKVFXAPYSA-N 0 0 317.455 0.260 10 0 DCAERN CN(C)C(=O)C(C)(C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000594536210 396485004 /nfs/dbraw/zinc/48/50/04/396485004.db2.gz XHYHRMOUADSABN-UHFFFAOYSA-N 0 0 308.382 0.804 10 0 DCAERN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CC(n2ccnn2)C1 ZINC000372591340 396529892 /nfs/dbraw/zinc/52/98/92/396529892.db2.gz WUSKHDJYFXODTL-UHFFFAOYSA-N 0 0 324.344 0.844 10 0 DCAERN NC(=O)[C@]1(O)CC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000372693190 396538607 /nfs/dbraw/zinc/53/86/07/396538607.db2.gz VLLPVKVCCOIDLM-HNNXBMFYSA-N 0 0 308.334 0.106 10 0 DCAERN O=C1NCC[C@@H]1NCc1ncc(I)s1 ZINC000594967596 396542410 /nfs/dbraw/zinc/54/24/10/396542410.db2.gz UHGRMXZCYINUDY-YFKPBYRVSA-N 0 0 323.159 0.726 10 0 DCAERN O=C(CC1CCC2(CC1)OCCO2)N1CC(n2ccnn2)C1 ZINC000372750853 396543183 /nfs/dbraw/zinc/54/31/83/396543183.db2.gz LCZAHMXVFMEZOD-UHFFFAOYSA-N 0 0 306.366 0.985 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000528485714 396556546 /nfs/dbraw/zinc/55/65/46/396556546.db2.gz UOJZNVTYJBQARY-KBPBESRZSA-N 0 0 313.375 0.707 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000373069526 396563610 /nfs/dbraw/zinc/56/36/10/396563610.db2.gz JUGCIWJMTNHOCQ-TUAOUCFPSA-N 0 0 312.366 0.034 10 0 DCAERN CC(C)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530796 396643454 /nfs/dbraw/zinc/64/34/54/396643454.db2.gz QOVLWKJHIRGSFG-ZIAGYGMSSA-N 0 0 300.399 0.096 10 0 DCAERN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1CC(F)(F)F ZINC000374273693 396652449 /nfs/dbraw/zinc/65/24/49/396652449.db2.gz NPJGQSFPROXRDZ-ZWNOBZJWSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cnn(CC(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c1 ZINC000581875436 396588397 /nfs/dbraw/zinc/58/83/97/396588397.db2.gz FRJHJRWRQUKKIB-SWLSCSKDSA-N 0 0 303.366 0.819 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000373492235 396593780 /nfs/dbraw/zinc/59/37/80/396593780.db2.gz CERBFBSJJDWZTC-JSGCOSHPSA-N 0 0 310.394 0.651 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NC[C@@H](C)S(C)(=O)=O)[nH]n1 ZINC000533587670 396607913 /nfs/dbraw/zinc/60/79/13/396607913.db2.gz BCTVYKGSKYOXCN-PSASIEDQSA-N 0 0 302.400 0.381 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373756835 396611992 /nfs/dbraw/zinc/61/19/92/396611992.db2.gz IHCPHDFDRYWUIJ-NEPJUHHUSA-N 0 0 323.393 0.925 10 0 DCAERN COC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000366083130 292085339 /nfs/dbraw/zinc/08/53/39/292085339.db2.gz JKWGFTXBSCFAFA-AWEZNQCLSA-N 0 0 309.366 0.536 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2ccc3nnnn3c2)no1 ZINC000562517245 396667789 /nfs/dbraw/zinc/66/77/89/396667789.db2.gz HOTVLRLZFGZGQE-UHFFFAOYSA-N 0 0 301.310 0.735 10 0 DCAERN CO[C@H](C)CCNC(=O)NCCCN1CCCS1(=O)=O ZINC000588294512 396683489 /nfs/dbraw/zinc/68/34/89/396683489.db2.gz AAXLJDMFPBOYKC-LLVKDONJSA-N 0 0 307.416 0.136 10 0 DCAERN O=C(CN1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374807386 396688972 /nfs/dbraw/zinc/68/89/72/396688972.db2.gz KHYDDEKMRDISJE-ZFWWWQNUSA-N 0 0 312.410 0.003 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000374952286 396700739 /nfs/dbraw/zinc/70/07/39/396700739.db2.gz WUWZOXRWKFLZHH-HNNXBMFYSA-N 0 0 319.336 0.518 10 0 DCAERN O=C(c1cc2ccccc2oc1=O)N1CCN2CCOC[C@@H]2C1 ZINC000374968892 396702116 /nfs/dbraw/zinc/70/21/16/396702116.db2.gz DHKZVELEIIIGKC-ZDUSSCGKSA-N 0 0 314.341 0.950 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccsc1)CC2 ZINC000589187105 396707062 /nfs/dbraw/zinc/70/70/62/396707062.db2.gz BVCJRBVGEOWIQL-NSHDSACASA-N 0 0 319.390 0.509 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375078339 396709328 /nfs/dbraw/zinc/70/93/28/396709328.db2.gz CCWALAVAHLOBIH-UHFFFAOYSA-N 0 0 309.341 0.517 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H](CO)C1 ZINC000300176403 396715194 /nfs/dbraw/zinc/71/51/94/396715194.db2.gz VQYGEGBUWJGBEY-TUAOUCFPSA-N 0 0 305.396 0.362 10 0 DCAERN O=C(Cn1cncn1)N1CSC[C@H]1C(=O)Nc1ccccc1 ZINC000589454399 396715454 /nfs/dbraw/zinc/71/54/54/396715454.db2.gz UKHDDAWWEUSJON-LBPRGKRZSA-N 0 0 317.374 0.818 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC000301403845 396716574 /nfs/dbraw/zinc/71/65/74/396716574.db2.gz KMZUDYKPHXIPPJ-GFCCVEGCSA-N 0 0 301.350 0.543 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000302522058 396719395 /nfs/dbraw/zinc/71/93/95/396719395.db2.gz JACJPTJTQJSHBE-GFCCVEGCSA-N 0 0 302.382 0.474 10 0 DCAERN CC(C)Cc1nsc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000302329222 396719600 /nfs/dbraw/zinc/71/96/00/396719600.db2.gz ZFHSYNWSNZFGDJ-VIFPVBQESA-N 0 0 304.441 0.865 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1=O ZINC000375246620 396721232 /nfs/dbraw/zinc/72/12/32/396721232.db2.gz WWXLGSWRCAXCPM-ZDUSSCGKSA-N 0 0 321.377 0.907 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1O ZINC000617706640 396779936 /nfs/dbraw/zinc/77/99/36/396779936.db2.gz VJJSUSZKXALQAL-INIZCTEOSA-N 0 0 323.345 0.493 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)cc1O ZINC000629393575 396737953 /nfs/dbraw/zinc/73/79/53/396737953.db2.gz XVLMIKUBVYZDOK-LLVKDONJSA-N 0 0 306.318 0.311 10 0 DCAERN c1n[nH]cc1-c1nnc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000625091411 396768377 /nfs/dbraw/zinc/76/83/77/396768377.db2.gz ATVVPEXOTNJBOX-GFCCVEGCSA-N 0 0 304.354 0.684 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cn2cccnc2n1 ZINC000610837062 396769358 /nfs/dbraw/zinc/76/93/58/396769358.db2.gz SHBXBDNSEKCYCO-LBPRGKRZSA-N 0 0 320.349 0.768 10 0 DCAERN COC(=O)[C@@H](NC[C@@H](O)COC[C@@H]1CCCO1)C(C)(C)C ZINC000610989644 396797852 /nfs/dbraw/zinc/79/78/52/396797852.db2.gz RMUNLKGFZMEAEO-FRRDWIJNSA-N 0 0 303.399 0.720 10 0 DCAERN O=C(CN1CCOCC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375582051 396776645 /nfs/dbraw/zinc/77/66/45/396776645.db2.gz LXZUUVRCIRBTJQ-GFCCVEGCSA-N 0 0 306.366 0.595 10 0 DCAERN CCCn1cc(C(=O)N(CC(N)=O)C[C@@H]2CN(C)CCO2)cn1 ZINC000328627422 396825282 /nfs/dbraw/zinc/82/52/82/396825282.db2.gz GCGLKFDZSAZMTD-ZDUSSCGKSA-N 0 0 323.397 0.601 10 0 DCAERN CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1c1ncc[nH]1 ZINC000328634526 396827191 /nfs/dbraw/zinc/82/71/91/396827191.db2.gz UCEXVDOFCRDVMK-GFCCVEGCSA-N 0 0 300.366 0.750 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)nc(C)n1 ZINC000328637453 396829617 /nfs/dbraw/zinc/82/96/17/396829617.db2.gz VYZZVMQXOLAYCZ-CYBMUJFWSA-N 0 0 300.366 0.945 10 0 DCAERN CCn1cnnc1[C@H]1CN(C[C@H](O)COCC(C)C)CCO1 ZINC000328653088 396831477 /nfs/dbraw/zinc/83/14/77/396831477.db2.gz WSXXBJXODJWYDM-UONOGXRCSA-N 0 0 312.414 0.705 10 0 DCAERN Cc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC000564588205 396845661 /nfs/dbraw/zinc/84/56/61/396845661.db2.gz GBSRZMUYXXFNEO-ZIAGYGMSSA-N 0 0 307.398 0.144 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCC[C@H]1C1CC1 ZINC000590871599 396852000 /nfs/dbraw/zinc/85/20/00/396852000.db2.gz BVFFMARVYNVNJL-ZDUSSCGKSA-N 0 0 315.439 0.996 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000564750736 396865539 /nfs/dbraw/zinc/86/55/39/396865539.db2.gz ITFHZIUOODPRKF-JSGCOSHPSA-N 0 0 318.439 0.985 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629927442 396888448 /nfs/dbraw/zinc/88/84/48/396888448.db2.gz CWXJNEIRPLEVML-KBPBESRZSA-N 0 0 307.394 0.657 10 0 DCAERN COC(=O)[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)C1CC1 ZINC000611614280 396894293 /nfs/dbraw/zinc/89/42/93/396894293.db2.gz FKYIOSWYGWWAPY-OASPWFOLSA-N 0 0 306.366 0.455 10 0 DCAERN COC(=O)[C@H](NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614293 396894330 /nfs/dbraw/zinc/89/43/30/396894330.db2.gz GOBKWTZSLOMTHY-FIXISWKDSA-N 0 0 309.366 0.248 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)no1 ZINC000332805675 396894756 /nfs/dbraw/zinc/89/47/56/396894756.db2.gz JJXGVDAEUYFDGD-NWDGAFQWSA-N 0 0 309.370 0.555 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376214046 396895710 /nfs/dbraw/zinc/89/57/10/396895710.db2.gz ULHGXQNMUVCQLK-XQQFMLRXSA-N 0 0 314.407 0.314 10 0 DCAERN CN(C[C@H]1CCCC[C@H]1O)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332842392 396896535 /nfs/dbraw/zinc/89/65/35/396896535.db2.gz KVJJGNYCRANSLP-XJFOESAGSA-N 0 0 323.397 0.411 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333187583 396919681 /nfs/dbraw/zinc/91/96/81/396919681.db2.gz RFYZFYDKRKNOEZ-WRWGMCAJSA-N 0 0 322.452 0.128 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)C(C)C ZINC000618310763 396956825 /nfs/dbraw/zinc/95/68/25/396956825.db2.gz XIVDLKQAXOVZFV-USWWRNFRSA-N 0 0 304.412 0.229 10 0 DCAERN CCC(O)(CC)CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000625633721 396961111 /nfs/dbraw/zinc/96/11/11/396961111.db2.gz UNRALVTWXAVZCF-VXGBXAGGSA-N 0 0 308.444 0.823 10 0 DCAERN c1cnc(N2CCN(Cc3nnc(C4CC4)s3)CC2)nn1 ZINC000625644841 396965100 /nfs/dbraw/zinc/96/51/00/396965100.db2.gz JXWAYJXKOIRBQG-UHFFFAOYSA-N 0 0 303.395 0.923 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C3CC3)no2)CCN1S(C)(=O)=O ZINC000618677199 397010390 /nfs/dbraw/zinc/01/03/90/397010390.db2.gz ZBWSRKPUBLKNSQ-SECBINFHSA-N 0 0 313.379 0.658 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2cscn2)CCN1S(C)(=O)=O ZINC000618679454 397011580 /nfs/dbraw/zinc/01/15/80/397011580.db2.gz JPNOIFRUKFVIBA-SNVBAGLBSA-N 0 0 317.436 0.568 10 0 DCAERN Cn1cc([C@H](NC(=O)CCn2cncn2)C(F)(F)F)cn1 ZINC000572088068 397018500 /nfs/dbraw/zinc/01/85/00/397018500.db2.gz LSLUEGIAYFCWTH-JTQLQIEISA-N 0 0 302.260 0.822 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cccc1 ZINC000618753802 397022647 /nfs/dbraw/zinc/02/26/47/397022647.db2.gz WGGQKOOOEDDOBC-NEPJUHHUSA-N 0 0 309.366 0.451 10 0 DCAERN Cn1ccc(CC(=O)NCc2cccc(N3CCOCC3)n2)n1 ZINC000572812583 397097871 /nfs/dbraw/zinc/09/78/71/397097871.db2.gz QREZDDHRPNNJHE-UHFFFAOYSA-N 0 0 315.377 0.511 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000630770880 397102432 /nfs/dbraw/zinc/10/24/32/397102432.db2.gz AQZGIJBRSFDBPE-CYBMUJFWSA-N 0 0 318.312 0.751 10 0 DCAERN CCOC(=O)c1csc(N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000591930649 397042268 /nfs/dbraw/zinc/04/22/68/397042268.db2.gz DMDVARFRGIMNBV-MRVPVSSYSA-N 0 0 304.393 0.943 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000377256879 397056203 /nfs/dbraw/zinc/05/62/03/397056203.db2.gz MRDVYTSPNAQPGS-LSDHHAIUSA-N 0 0 317.389 0.903 10 0 DCAERN CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000573054936 397128388 /nfs/dbraw/zinc/12/83/88/397128388.db2.gz RWIWRRDKPMPFHX-UHFFFAOYSA-N 0 0 318.333 0.684 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(F)(F)C1 ZINC000626398130 397153517 /nfs/dbraw/zinc/15/35/17/397153517.db2.gz KGFNKLIZDIOMBJ-UHFFFAOYSA-N 0 0 305.325 0.273 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000626505923 397178811 /nfs/dbraw/zinc/17/88/11/397178811.db2.gz KJLQBHJQUWFTHV-XYPYZODXSA-N 0 0 316.361 0.981 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ncccc1O ZINC000626423550 397159455 /nfs/dbraw/zinc/15/94/55/397159455.db2.gz BWLVTVPHDHMDPL-UHFFFAOYSA-N 0 0 322.365 0.535 10 0 DCAERN CCSCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000619693499 397175475 /nfs/dbraw/zinc/17/54/75/397175475.db2.gz WGQCSAPAQITVQG-UHFFFAOYSA-N 0 0 323.484 0.854 10 0 DCAERN COC(=O)[C@H](O)C1CCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000619744982 397186884 /nfs/dbraw/zinc/18/68/84/397186884.db2.gz MWRYIJFCHOQMSY-PSASIEDQSA-N 0 0 315.395 0.996 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@]1(CO)CCOC1)CC2 ZINC000364551818 397219793 /nfs/dbraw/zinc/21/97/93/397219793.db2.gz OXWKNLJAPMTCKM-ZBEGNZNMSA-N 0 0 307.394 0.906 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000364550601 397220552 /nfs/dbraw/zinc/22/05/52/397220552.db2.gz HSOFHDGEWYBBJY-GHMZBOCLSA-N 0 0 304.394 0.985 10 0 DCAERN CC(=O)N1CCN(C(=O)c2nnn(C(C)(C)C)n2)C(C)(C)C1 ZINC000613257975 397230104 /nfs/dbraw/zinc/23/01/04/397230104.db2.gz OWHZLQQQBMXFOO-UHFFFAOYSA-N 0 0 308.386 0.511 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCN(C3CC3)C2=O)C(C)(C)C1 ZINC000613257501 397230708 /nfs/dbraw/zinc/23/07/08/397230708.db2.gz IUZKZIZYRXDVOE-UHFFFAOYSA-N 0 0 322.409 0.356 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCCOCC(=O)OC(C)(C)C ZINC000601748644 397233384 /nfs/dbraw/zinc/23/33/84/397233384.db2.gz IIOBGBNYRXYICG-GFCCVEGCSA-N 0 0 314.382 0.472 10 0 DCAERN CCOC(=O)c1nc(CN2C[C@H](OC)C[C@H]2CO)cs1 ZINC000380521731 397269955 /nfs/dbraw/zinc/26/99/55/397269955.db2.gz BPUZMUAASNFJPJ-WDEREUQCSA-N 0 0 300.380 0.901 10 0 DCAERN C[C@H]1CN(C(=O)[C@@]2(C)CCCNC2=O)CCN1CC(F)(F)F ZINC000365255627 397255090 /nfs/dbraw/zinc/25/50/90/397255090.db2.gz ABYNAHJTLRTFQV-GWCFXTLKSA-N 0 0 321.343 0.998 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCCC[C@@H]1CC(N)=O)CC2 ZINC000407953527 397334658 /nfs/dbraw/zinc/33/46/58/397334658.db2.gz BHVJLOLVBYOXCC-WCQYABFASA-N 0 0 304.394 0.782 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000407955076 397335776 /nfs/dbraw/zinc/33/57/76/397335776.db2.gz HEAFUIJQGCXTKE-VXGBXAGGSA-N 0 0 302.334 0.528 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000407959275 397336998 /nfs/dbraw/zinc/33/69/98/397336998.db2.gz UFOYFANHLVAUGR-LBPRGKRZSA-N 0 0 314.411 0.365 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000407961955 397337893 /nfs/dbraw/zinc/33/78/93/397337893.db2.gz KYRQMILIOWGDEK-LOWDOPEQSA-N 0 0 313.398 0.082 10 0 DCAERN C[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)CC(=O)N1C ZINC000407969304 397341565 /nfs/dbraw/zinc/34/15/65/397341565.db2.gz INQWXANQQOCAHF-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@@H]3CCCO3)[C@H]2C1 ZINC000407991178 397343681 /nfs/dbraw/zinc/34/36/81/397343681.db2.gz SROPWJKISQKPQC-RFGFWPKPSA-N 0 0 319.423 0.764 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NC[C@]1(CCO)CCOC1 ZINC000408099735 397347337 /nfs/dbraw/zinc/34/73/37/397347337.db2.gz NILCKOVYXYTBCW-STQMWFEESA-N 0 0 306.428 0.484 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000408131736 397348250 /nfs/dbraw/zinc/34/82/50/397348250.db2.gz HYPGROJTHARJOG-RKDXNWHRSA-N 0 0 302.318 0.572 10 0 DCAERN Cc1cccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000366201816 397350884 /nfs/dbraw/zinc/35/08/84/397350884.db2.gz JDOQRSONICPNQR-HNNXBMFYSA-N 0 0 304.394 0.659 10 0 DCAERN COCC[C@H]1CCCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000408257977 397352061 /nfs/dbraw/zinc/35/20/61/397352061.db2.gz WXIINFRZHGPMFQ-CYBMUJFWSA-N 0 0 306.428 0.702 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CC([C@@H]3CCOC3)C2)cn1 ZINC000366230361 397354001 /nfs/dbraw/zinc/35/40/01/397354001.db2.gz LSMZFEPBVSZDNG-LLVKDONJSA-N 0 0 318.377 0.581 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000408455194 397357366 /nfs/dbraw/zinc/35/73/66/397357366.db2.gz CQIBGCKCIBUEIX-LBPRGKRZSA-N 0 0 317.455 0.859 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@H]1CO ZINC000366509075 397369790 /nfs/dbraw/zinc/36/97/90/397369790.db2.gz CKCMUYYDWFUPIK-FVCCEPFGSA-N 0 0 318.439 0.755 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000366543672 397373180 /nfs/dbraw/zinc/37/31/80/397373180.db2.gz RQOMKGVODIEUOW-GFCCVEGCSA-N 0 0 317.794 0.962 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000366581999 397382172 /nfs/dbraw/zinc/38/21/72/397382172.db2.gz OXCKAPCHOXMHTJ-ZKYQVNSYSA-N 0 0 314.407 0.314 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593100564 397326326 /nfs/dbraw/zinc/32/63/26/397326326.db2.gz LCKGSTMBKZVVHE-FNHFSTKRSA-N 0 0 323.414 0.834 10 0 DCAERN C[S@](=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000613811555 397327048 /nfs/dbraw/zinc/32/70/48/397327048.db2.gz AXASVHAKZCFOLM-ASSNKEHSSA-N 0 0 308.403 0.581 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404112588 397327166 /nfs/dbraw/zinc/32/71/66/397327166.db2.gz FBALCAFWSWEFCH-QWHCGFSZSA-N 0 0 300.355 0.577 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)C1 ZINC000621578866 397400218 /nfs/dbraw/zinc/40/02/18/397400218.db2.gz LQBDRVMDALYENP-IEBDPFPHSA-N 0 0 323.315 0.968 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1(C)C ZINC000578279143 397414193 /nfs/dbraw/zinc/41/41/93/397414193.db2.gz GWCHKINVXDFRKH-RWMBFGLXSA-N 0 0 310.394 0.554 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000487081344 397465448 /nfs/dbraw/zinc/46/54/48/397465448.db2.gz AHJTTXHXHMYUEZ-GHMZBOCLSA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000487081346 397466282 /nfs/dbraw/zinc/46/62/82/397466282.db2.gz AHJTTXHXHMYUEZ-QWRGUYRKSA-N 0 0 322.361 0.881 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000370331820 397471254 /nfs/dbraw/zinc/47/12/54/397471254.db2.gz DWNSWTQFIXCHHK-CQSZACIVSA-N 0 0 301.350 0.214 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(CCOC)CC1 ZINC000488254815 397487970 /nfs/dbraw/zinc/48/79/70/397487970.db2.gz RQCSHUPQQNBHCF-GHMZBOCLSA-N 0 0 314.382 0.376 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1=O ZINC000371017304 397532804 /nfs/dbraw/zinc/53/28/04/397532804.db2.gz IJBUFZWCMCNPIW-GFCCVEGCSA-N 0 0 322.409 0.213 10 0 DCAERN Cc1nnc(CNC(=O)Nc2cccc(OCC(N)=O)c2)n1C ZINC000594396486 397541323 /nfs/dbraw/zinc/54/13/23/397541323.db2.gz DGHCZNUXDBHZRG-UHFFFAOYSA-N 0 0 318.337 0.309 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)[nH]1 ZINC000605097438 397660483 /nfs/dbraw/zinc/66/04/83/397660483.db2.gz XAIHHMDQORXANU-CYBMUJFWSA-N 0 0 301.350 0.900 10 0 DCAERN CC(C)n1ccc(C(=O)NCCCN2CCCS2(=O)=O)n1 ZINC000603239263 397588008 /nfs/dbraw/zinc/58/80/08/397588008.db2.gz SULUEXLXIWORSX-UHFFFAOYSA-N 0 0 314.411 0.619 10 0 DCAERN O=c1c(I)cccn1C[C@H]1COCCO1 ZINC000603343931 397598795 /nfs/dbraw/zinc/59/87/95/397598795.db2.gz KPOQOQQLRMVTAB-QMMMGPOBSA-N 0 0 321.114 0.868 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000603490270 397614028 /nfs/dbraw/zinc/61/40/28/397614028.db2.gz RZVGYGVRRKCQTO-VIFPVBQESA-N 0 0 319.814 0.721 10 0 DCAERN C[C@H]1CC[C@@H](CCC(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000608360161 397727180 /nfs/dbraw/zinc/72/71/80/397727180.db2.gz BYYSWIHUKQPKQH-STQMWFEESA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H]1OCCN(C(=O)c2ccc(=O)n(C)n2)[C@@H]1C(F)(F)F ZINC000606445078 397681774 /nfs/dbraw/zinc/68/17/74/397681774.db2.gz WEFGKFRDRZMJEV-XVKPBYJWSA-N 0 0 305.256 0.572 10 0 DCAERN Cc1c(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)nnn1C ZINC000607624996 397703559 /nfs/dbraw/zinc/70/35/59/397703559.db2.gz ZJVJMGOIYYETKL-VIFPVBQESA-N 0 0 303.370 0.932 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000609889050 397796784 /nfs/dbraw/zinc/79/67/84/397796784.db2.gz DOZROINHTSHPSA-LBPRGKRZSA-N 0 0 305.334 0.737 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)C(=O)c1cnn(C)c1 ZINC000610232287 397806052 /nfs/dbraw/zinc/80/60/52/397806052.db2.gz MADAMFGSBLQXGD-UHFFFAOYSA-N 0 0 305.294 0.450 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)nc1 ZINC000610499481 397827103 /nfs/dbraw/zinc/82/71/03/397827103.db2.gz CZAFNSHWONMTAU-UHFFFAOYSA-N 0 0 303.318 0.315 10 0 DCAERN CCOC(=O)C1(O)CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000610538464 397830706 /nfs/dbraw/zinc/83/07/06/397830706.db2.gz JYHHPMOVPHNVKI-UHFFFAOYSA-N 0 0 308.382 0.583 10 0 DCAERN CCOC(CC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)OCC ZINC000375042270 285984742 /nfs/dbraw/zinc/98/47/42/285984742.db2.gz ZYSCVFIVJSVVGJ-SNVBAGLBSA-N 0 0 308.400 0.055 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408185948 289229324 /nfs/dbraw/zinc/22/93/24/289229324.db2.gz FRFVYIBZWPFKIN-GHMZBOCLSA-N 0 0 306.428 0.133 10 0 DCAERN COCC(COC)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000455433856 292204545 /nfs/dbraw/zinc/20/45/45/292204545.db2.gz WCLKYPISQTYPLZ-OAHLLOKOSA-N 0 0 316.398 0.627 10 0 DCAERN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)NCC(=O)N(C)C)o1 ZINC000190208810 292207955 /nfs/dbraw/zinc/20/79/55/292207955.db2.gz AAMPSVNRXMETKI-LBPRGKRZSA-N 0 0 321.377 0.846 10 0 DCAERN COc1cc([C@@H]2NC(=O)[C@@H]3[C@@H](C)OCCN23)cc2c1OCCO2 ZINC000284949892 286245712 /nfs/dbraw/zinc/24/57/12/286245712.db2.gz DGLPGKUUAUMUQO-ZDBHGNHJSA-N 0 0 320.345 0.684 10 0 DCAERN COCCCS(=O)(=O)NCCN1CCO[C@H]2CCCC[C@H]21 ZINC000245477149 292373141 /nfs/dbraw/zinc/37/31/41/292373141.db2.gz UEWSLZMAROLWKA-KGLIPLIRSA-N 0 0 320.455 0.586 10 0 DCAERN CCCS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000040216272 157989316 /nfs/dbraw/zinc/98/93/16/157989316.db2.gz XVLXXCJGJRDNTD-UHFFFAOYSA-N 0 0 304.393 0.436 10 0 DCAERN CCCC(=O)NCC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000045911744 158000175 /nfs/dbraw/zinc/00/01/75/158000175.db2.gz CLKGYJPFNPUISZ-STQMWFEESA-N 0 0 313.442 0.907 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCC(=O)N(C)C ZINC000049331441 158010474 /nfs/dbraw/zinc/01/04/74/158010474.db2.gz HXZGMKJXXSDCRJ-NSHDSACASA-N 0 0 306.366 0.791 10 0 DCAERN CN(Cc1cccnc1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000054638382 158021671 /nfs/dbraw/zinc/02/16/71/158021671.db2.gz UMFORCAAQVINIG-UHFFFAOYSA-N 0 0 312.333 0.184 10 0 DCAERN CCOCCOCC(=O)NCCCN1CCCCCC1=O ZINC000056968086 158024240 /nfs/dbraw/zinc/02/42/40/158024240.db2.gz SCKCYLCQAINYAQ-UHFFFAOYSA-N 0 0 300.399 0.948 10 0 DCAERN Nc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(Cl)n1 ZINC000062985013 158029630 /nfs/dbraw/zinc/02/96/30/158029630.db2.gz UPQAYMNMDORMPR-LLVKDONJSA-N 0 0 310.785 0.864 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)NCc1cccnc1N(C)C ZINC000065585969 158034746 /nfs/dbraw/zinc/03/47/46/158034746.db2.gz AGMBCVAGVQSBJF-LBPRGKRZSA-N 0 0 307.398 0.991 10 0 DCAERN CCS(=O)(=O)NCCSc1nnnn1-c1ccccc1 ZINC000068043130 158040452 /nfs/dbraw/zinc/04/04/52/158040452.db2.gz RIDRNABOQARSQZ-UHFFFAOYSA-N 0 0 313.408 0.694 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000067848664 158041023 /nfs/dbraw/zinc/04/10/23/158041023.db2.gz DLXVXJVQERVBDS-INIZCTEOSA-N 0 0 319.405 0.702 10 0 DCAERN O=C(c1ccn(-c2ccccc2F)n1)N1CCNC(=O)CC1 ZINC000068257759 158041893 /nfs/dbraw/zinc/04/18/93/158041893.db2.gz CCMNOBCHHOCYMY-UHFFFAOYSA-N 0 0 302.309 0.974 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000069928973 158047097 /nfs/dbraw/zinc/04/70/97/158047097.db2.gz UQHKEASISZZGRG-UHFFFAOYSA-N 0 0 320.328 0.917 10 0 DCAERN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000069930039 158047115 /nfs/dbraw/zinc/04/71/15/158047115.db2.gz VZTIDZHMIXYFMF-KBPBESRZSA-N 0 0 319.340 0.345 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000070979581 158048807 /nfs/dbraw/zinc/04/88/07/158048807.db2.gz IKCGAMZPQXNJIM-NSHDSACASA-N 0 0 314.411 0.572 10 0 DCAERN Cn1cc(N2CCN(C(=O)NCc3cscn3)CC2)cn1 ZINC000074869376 158060718 /nfs/dbraw/zinc/06/07/18/158060718.db2.gz LBBJIQKWPICGHJ-UHFFFAOYSA-N 0 0 306.395 0.908 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000077763219 158070604 /nfs/dbraw/zinc/07/06/04/158070604.db2.gz XXQWFJYKIITJPJ-RYUDHWBXSA-N 0 0 307.398 0.762 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078762226 158074410 /nfs/dbraw/zinc/07/44/10/158074410.db2.gz JAOJOAWMGKCPIK-CYBMUJFWSA-N 0 0 320.393 0.333 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000080795455 158083004 /nfs/dbraw/zinc/08/30/04/158083004.db2.gz ZVIWECISXBUMDU-NWDGAFQWSA-N 0 0 303.428 0.551 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000081446463 158083947 /nfs/dbraw/zinc/08/39/47/158083947.db2.gz JABXDOGESNJAPT-VIFPVBQESA-N 0 0 321.406 0.998 10 0 DCAERN O=C(NC[C@@]1(O)CCSC1)c1cccc(-n2cncn2)c1 ZINC000082970835 158087020 /nfs/dbraw/zinc/08/70/20/158087020.db2.gz UNJFMTHDEVBLAX-AWEZNQCLSA-N 0 0 304.375 0.865 10 0 DCAERN O=C(c1cc2c(s1)CCC2)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856755 158088069 /nfs/dbraw/zinc/08/80/69/158088069.db2.gz SJYMOBGURGWFMT-CQSZACIVSA-N 0 0 305.359 0.661 10 0 DCAERN CS(=O)(=O)Nc1cc(NC(=O)[C@H]2COCCN2)ccc1F ZINC000088369915 158095019 /nfs/dbraw/zinc/09/50/19/158095019.db2.gz PIWJGDVEVBWEEA-LLVKDONJSA-N 0 0 317.342 0.124 10 0 DCAERN CCCc1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)n(C)n1 ZINC000089395682 158097301 /nfs/dbraw/zinc/09/73/01/158097301.db2.gz JGMXGRJUDOZBQC-UHFFFAOYSA-N 0 0 307.354 0.642 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(O)(C2CC2)C1 ZINC000089666423 158098040 /nfs/dbraw/zinc/09/80/40/158098040.db2.gz YFZHWKKFACDFRL-UHFFFAOYSA-N 0 0 311.359 0.603 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CC(O)(C3CC3)C2)CC1 ZINC000089664501 158098394 /nfs/dbraw/zinc/09/83/94/158098394.db2.gz FKZDGCZPMFMJPY-UHFFFAOYSA-N 0 0 316.423 0.031 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(O)(C2CC2)C1 ZINC000089664287 158098816 /nfs/dbraw/zinc/09/88/16/158098816.db2.gz RIBIMOTVNASZGP-GFCCVEGCSA-N 0 0 316.423 0.174 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)c1scnc1C1CC1 ZINC000089804349 158099822 /nfs/dbraw/zinc/09/98/22/158099822.db2.gz DKOMGJZVKCBJPT-UHFFFAOYSA-N 0 0 308.363 0.692 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000091227311 158108041 /nfs/dbraw/zinc/10/80/41/158108041.db2.gz QJVDWOPVFZZROM-GFCCVEGCSA-N 0 0 309.370 0.560 10 0 DCAERN COc1ccccc1NC(=O)Cn1cc(Cl)c(=O)[nH]c1=O ZINC000091329796 158108346 /nfs/dbraw/zinc/10/83/46/158108346.db2.gz YEQAQCCKKYZHOQ-UHFFFAOYSA-N 0 0 309.709 0.837 10 0 DCAERN Cc1cccc(CSCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784127 158109749 /nfs/dbraw/zinc/10/97/49/158109749.db2.gz OSSUMQGGPXITRD-ZDUSSCGKSA-N 0 0 308.403 0.941 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cc(Cl)cc2c1OCOC2 ZINC000092229183 158112678 /nfs/dbraw/zinc/11/26/78/158112678.db2.gz RTYDDERVJFTUQX-GFCCVEGCSA-N 0 0 312.753 0.893 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000104798801 158129659 /nfs/dbraw/zinc/12/96/59/158129659.db2.gz RZDVFMHHCRHXHQ-ZDUSSCGKSA-N 0 0 312.414 0.065 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000107309784 158135234 /nfs/dbraw/zinc/13/52/34/158135234.db2.gz QOTNIRIHHYTGDX-UWVGGRQHSA-N 0 0 317.411 0.778 10 0 DCAERN COC(=O)c1ccc(CCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000109264615 158136489 /nfs/dbraw/zinc/13/64/89/158136489.db2.gz MHVCOCAJZIKUQP-HNNXBMFYSA-N 0 0 320.389 0.853 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 ZINC000109000316 158136912 /nfs/dbraw/zinc/13/69/12/158136912.db2.gz NRLAKVQGOIRUDQ-HNNXBMFYSA-N 0 0 323.437 0.426 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC2CC2)CC1 ZINC000110817735 158138414 /nfs/dbraw/zinc/13/84/14/158138414.db2.gz XKUACNYBTGDQHD-ZDUSSCGKSA-N 0 0 309.410 0.178 10 0 DCAERN COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112656535 158143516 /nfs/dbraw/zinc/14/35/16/158143516.db2.gz VPFRJSUGNFVVMP-QWRGUYRKSA-N 0 0 309.370 0.480 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650244 158144303 /nfs/dbraw/zinc/14/43/03/158144303.db2.gz RFGNPAQPKYUMPF-NWDGAFQWSA-N 0 0 305.382 0.356 10 0 DCAERN Cc1ccn2ncc(C(=O)N(C)[C@@H]3CCCCNC3=O)c2n1 ZINC000114323955 158151306 /nfs/dbraw/zinc/15/13/06/158151306.db2.gz LHWGLLRLLPSZRH-GFCCVEGCSA-N 0 0 301.350 0.778 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@]3(CC=CCC3)C2)c1=O ZINC000114436625 158153497 /nfs/dbraw/zinc/15/34/97/158153497.db2.gz MTPCIDAROPKBBV-QGZVFWFLSA-N 0 0 317.389 0.896 10 0 DCAERN CC(C)N1CC[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000114743049 158156120 /nfs/dbraw/zinc/15/61/20/158156120.db2.gz IEWJOHCAZKKCGI-NWDGAFQWSA-N 0 0 303.428 0.562 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1nc(C)cc1C)CC2 ZINC000114863212 158157987 /nfs/dbraw/zinc/15/79/87/158157987.db2.gz ANGZORIJIMEIRV-GFCCVEGCSA-N 0 0 302.382 0.785 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)C(C)C)CC2 ZINC000114874273 158158977 /nfs/dbraw/zinc/15/89/77/158158977.db2.gz KPKLCBDJTWCODI-JTQLQIEISA-N 0 0 301.416 0.330 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)NC(C)C)CC2 ZINC000114921728 158160297 /nfs/dbraw/zinc/16/02/97/158160297.db2.gz JFXJTIVBTDVUIQ-NSHDSACASA-N 0 0 322.413 0.369 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115386030 158161727 /nfs/dbraw/zinc/16/17/27/158161727.db2.gz IITFODGFUFELJG-NSHDSACASA-N 0 0 322.390 0.820 10 0 DCAERN COCc1cc(N2CC[C@H](c3cnn(C)c3)C2)n2ncnc2n1 ZINC000116265855 158164149 /nfs/dbraw/zinc/16/41/49/158164149.db2.gz LBHDIVXUMBDEKN-NSHDSACASA-N 0 0 313.365 0.998 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116934506 158168174 /nfs/dbraw/zinc/16/81/74/158168174.db2.gz BDMPVQJNZXNXKQ-WOPDTQHZSA-N 0 0 303.428 0.898 10 0 DCAERN CC(C)(C)c1noc(CN2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000116891574 158168755 /nfs/dbraw/zinc/16/87/55/158168755.db2.gz JELIYCNJTXCMFY-VIFPVBQESA-N 0 0 302.400 0.491 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994711 158168804 /nfs/dbraw/zinc/16/88/04/158168804.db2.gz ULOFMAMYBARZJD-RYUDHWBXSA-N 0 0 303.428 0.011 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCCC2)CCN1CCOC ZINC000117372067 158171949 /nfs/dbraw/zinc/17/19/49/158171949.db2.gz OKZJKDQWRWLUKJ-AWEZNQCLSA-N 0 0 319.471 0.760 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@H](C)COC)CC2 ZINC000117924301 158174587 /nfs/dbraw/zinc/17/45/87/158174587.db2.gz VDDQNXGTOIHFMZ-NXEZZACHSA-N 0 0 302.400 0.110 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000117927409 158174788 /nfs/dbraw/zinc/17/47/88/158174788.db2.gz IWMIVIQGXHJNKX-VXGBXAGGSA-N 0 0 302.400 0.135 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000118673394 158177541 /nfs/dbraw/zinc/17/75/41/158177541.db2.gz LAIBPRFOKMKQID-LBPRGKRZSA-N 0 0 300.366 0.917 10 0 DCAERN C[C@@H](CN1CCCN(c2cccnn2)CC1)CS(C)(=O)=O ZINC000118967670 158181395 /nfs/dbraw/zinc/18/13/95/158181395.db2.gz JAPZZSCAWGEQBZ-ZDUSSCGKSA-N 0 0 312.439 0.669 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CCCCNC1=O ZINC000119361540 158185587 /nfs/dbraw/zinc/18/55/87/158185587.db2.gz QUSSUBXMVPKRQB-NEPJUHHUSA-N 0 0 312.414 0.649 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000119766473 158191061 /nfs/dbraw/zinc/19/10/61/158191061.db2.gz YZZCFANLCYTEHL-UHFFFAOYSA-N 0 0 300.428 0.871 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCc1nccc(N)n1)C(C)C ZINC000120486644 158199589 /nfs/dbraw/zinc/19/95/89/158199589.db2.gz PPVMIFZATUATHQ-CQSZACIVSA-N 0 0 307.398 0.862 10 0 DCAERN CCc1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[nH]1 ZINC000120621516 158201059 /nfs/dbraw/zinc/20/10/59/158201059.db2.gz NVJLCDZEAYMDNP-AWEZNQCLSA-N 0 0 305.338 0.631 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCc2ncn(C)n2)cc1C ZINC000120622190 158201202 /nfs/dbraw/zinc/20/12/02/158201202.db2.gz QUSPRBMNTPCJJY-UHFFFAOYSA-N 0 0 301.350 0.478 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N(CCO)c2ccccc2)c1 ZINC000121252690 158208782 /nfs/dbraw/zinc/20/87/82/158208782.db2.gz OFHWMKKKWFHXPI-UHFFFAOYSA-N 0 0 320.370 0.973 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N[C@@H]1CCc2ncnn2C1 ZINC000122032424 158217722 /nfs/dbraw/zinc/21/77/22/158217722.db2.gz OXSSYGNUCFWQLC-VXGBXAGGSA-N 0 0 309.370 0.088 10 0 DCAERN COCCCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000122236891 158219945 /nfs/dbraw/zinc/21/99/45/158219945.db2.gz HVKNNNPFQUYJEZ-CQSZACIVSA-N 0 0 312.410 0.901 10 0 DCAERN CCOc1ncccc1CNC(=O)CNC(=O)c1cccnc1 ZINC000122568881 158221913 /nfs/dbraw/zinc/22/19/13/158221913.db2.gz KBOVWNUCCJNQDJ-UHFFFAOYSA-N 0 0 314.345 0.922 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122569321 158222245 /nfs/dbraw/zinc/22/22/45/158222245.db2.gz CWULVFBBXUJJHY-DGCLKSJQSA-N 0 0 305.382 0.428 10 0 DCAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC(CO)C1 ZINC000122635208 158223314 /nfs/dbraw/zinc/22/33/14/158223314.db2.gz KFLNJHGRKYRUKD-ZDUSSCGKSA-N 0 0 316.365 0.304 10 0 DCAERN CC[C@H]1CN(C(=O)NCCCNC(C)=O)CCN1CC(F)F ZINC000124743492 158246783 /nfs/dbraw/zinc/24/67/83/158246783.db2.gz UJSGQJHOMAVMCG-LBPRGKRZSA-N 0 0 320.384 0.884 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1CCN(C2CC2)CC1 ZINC000124830973 158247745 /nfs/dbraw/zinc/24/77/45/158247745.db2.gz ZMGVQHGNLIRJFW-UHFFFAOYSA-N 0 0 303.362 0.471 10 0 DCAERN CC[C@@H]1CN(C(=O)CCc2nnc[nH]2)CCN1CC(F)F ZINC000125148749 158252562 /nfs/dbraw/zinc/25/25/62/158252562.db2.gz GJADJADWLHOZNL-SNVBAGLBSA-N 0 0 301.341 0.925 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125346253 158254102 /nfs/dbraw/zinc/25/41/02/158254102.db2.gz YOCJPOSBQNNRPR-ZDUSSCGKSA-N 0 0 320.393 0.611 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccsc1)CC2 ZINC000125837475 158259644 /nfs/dbraw/zinc/25/96/44/158259644.db2.gz GQJMLUHRTIVJON-VIFPVBQESA-N 0 0 319.390 0.972 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H](O)c2ccc(F)cc2)CCC1=O ZINC000128556339 158281345 /nfs/dbraw/zinc/28/13/45/158281345.db2.gz NNIKOZRNEKXXGT-QWHCGFSZSA-N 0 0 309.341 0.779 10 0 DCAERN O=C(CCc1ccccc1O)NC[C@H](O)CN1CCOCC1 ZINC000129113094 158285983 /nfs/dbraw/zinc/28/59/83/158285983.db2.gz IDYSUFRCDORJHX-AWEZNQCLSA-N 0 0 308.378 0.134 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)n1 ZINC000130000950 158292280 /nfs/dbraw/zinc/29/22/80/158292280.db2.gz PFQFODABZPJBIO-NQBHXWOUSA-N 0 0 323.397 0.944 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)NC[C@@H](C)O)n1 ZINC000130205742 158293232 /nfs/dbraw/zinc/29/32/32/158293232.db2.gz SDKHWRPDOCMYEE-LLVKDONJSA-N 0 0 302.334 0.616 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000132755506 158314030 /nfs/dbraw/zinc/31/40/30/158314030.db2.gz DDWJVWHFFVIFMQ-LBPRGKRZSA-N 0 0 312.329 0.651 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000133226835 158317161 /nfs/dbraw/zinc/31/71/61/158317161.db2.gz PZGJZVUDMMODMJ-SECBINFHSA-N 0 0 322.745 0.354 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000133402973 158318916 /nfs/dbraw/zinc/31/89/16/158318916.db2.gz GHNWNVQXABOAGY-WCQYABFASA-N 0 0 304.346 0.590 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000134721817 158329718 /nfs/dbraw/zinc/32/97/18/158329718.db2.gz JYUKPFVFIUPQLW-OCAPTIKFSA-N 0 0 318.376 0.482 10 0 DCAERN O=C(Cn1cnnn1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134853216 158330924 /nfs/dbraw/zinc/33/09/24/158330924.db2.gz ZCZAFDNVDUJQBZ-VIFPVBQESA-N 0 0 307.745 0.117 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000135143713 158333943 /nfs/dbraw/zinc/33/39/43/158333943.db2.gz SONCQCKNMCMIQG-UONOGXRCSA-N 0 0 324.425 0.113 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135265102 158335110 /nfs/dbraw/zinc/33/51/10/158335110.db2.gz BFVXLTWRIISBPW-ZIAGYGMSSA-N 0 0 320.393 0.615 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000135344634 158335459 /nfs/dbraw/zinc/33/54/59/158335459.db2.gz DKHPQIKJGKCKDZ-QWRGUYRKSA-N 0 0 305.382 0.660 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135351726 158336634 /nfs/dbraw/zinc/33/66/34/158336634.db2.gz IGOXGMYRLINPKP-WDEREUQCSA-N 0 0 305.382 0.660 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H](C(N)=O)C(C)C ZINC000135541177 158337351 /nfs/dbraw/zinc/33/73/51/158337351.db2.gz NVZSQOXYZLQFAI-CYBMUJFWSA-N 0 0 309.414 0.779 10 0 DCAERN COc1ncncc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000135917853 158340533 /nfs/dbraw/zinc/34/05/33/158340533.db2.gz JPOPQICFANCWSY-UHFFFAOYSA-N 0 0 303.326 0.946 10 0 DCAERN CCCCc1nnc(NC(=O)CN2CCNC(=O)CC2)s1 ZINC000137067843 158344488 /nfs/dbraw/zinc/34/44/88/158344488.db2.gz LCDDDYXYZXTKLQ-UHFFFAOYSA-N 0 0 311.411 0.641 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152466504 158349347 /nfs/dbraw/zinc/34/93/47/158349347.db2.gz YSKMUSKCXZSPIP-MNOVXSKESA-N 0 0 320.397 0.637 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161576183 158356778 /nfs/dbraw/zinc/35/67/78/158356778.db2.gz ZOYUMXCVLYVCNI-SECBINFHSA-N 0 0 302.400 0.047 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1F ZINC000166710492 158367340 /nfs/dbraw/zinc/36/73/40/158367340.db2.gz JNRHNMQWOTZZCQ-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN COc1ccc(CCNC(=O)[C@@]2(C)CNC(=O)C2)cc1OC ZINC000170246811 158373791 /nfs/dbraw/zinc/37/37/91/158373791.db2.gz KBOCEXCNDPEKMW-MRXNPFEDSA-N 0 0 306.362 0.889 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C1CC1)CC2 ZINC000171339442 158382314 /nfs/dbraw/zinc/38/23/14/158382314.db2.gz VEFKPHLIJGRJII-QWHCGFSZSA-N 0 0 317.393 0.419 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000171586944 158384787 /nfs/dbraw/zinc/38/47/87/158384787.db2.gz JVQYOWBVESJZEZ-UHFFFAOYSA-N 0 0 312.395 0.088 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H]2Cc3ccccc3[C@H]2O)n1 ZINC000171761732 158386882 /nfs/dbraw/zinc/38/68/82/158386882.db2.gz QQOLMQMOULTQHC-GXTWGEPZSA-N 0 0 302.334 0.878 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171870174 158387296 /nfs/dbraw/zinc/38/72/96/158387296.db2.gz ORLHDUHFKPRUEQ-INIZCTEOSA-N 0 0 324.340 0.839 10 0 DCAERN CNC(=O)CNC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000172076988 158390101 /nfs/dbraw/zinc/39/01/01/158390101.db2.gz CZOQIXQHDFTRRM-UHFFFAOYSA-N 0 0 305.382 0.404 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCC(=O)OC)CC2 ZINC000172299959 158392755 /nfs/dbraw/zinc/39/27/55/158392755.db2.gz UVXFZKGUCNXNSD-JTQLQIEISA-N 0 0 309.370 0.408 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@H](O)CC(C)(C)C)c2=O ZINC000172308182 158393192 /nfs/dbraw/zinc/39/31/92/158393192.db2.gz VLQHRDJGNRYJSX-SNVBAGLBSA-N 0 0 321.381 0.043 10 0 DCAERN CCNS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000172459087 158394675 /nfs/dbraw/zinc/39/46/75/158394675.db2.gz IGGGLPUIDGMNDR-LBPRGKRZSA-N 0 0 301.416 0.461 10 0 DCAERN O=C(NC[C@H]1CCCO1)N1CCC(c2ccnn2CCO)CC1 ZINC000172505304 158395103 /nfs/dbraw/zinc/39/51/03/158395103.db2.gz QTFIXYIGQYSRAW-CQSZACIVSA-N 0 0 322.409 0.943 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)CC2 ZINC000172548359 158395895 /nfs/dbraw/zinc/39/58/95/158395895.db2.gz AVDSORFIYOYBJC-GHMZBOCLSA-N 0 0 322.413 0.492 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000172753566 158398813 /nfs/dbraw/zinc/39/88/13/158398813.db2.gz BXTJLGQVCJBOPD-LSDHHAIUSA-N 0 0 312.410 0.505 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172748602 158399038 /nfs/dbraw/zinc/39/90/38/158399038.db2.gz FLJNVCOYSPQSRX-GFCCVEGCSA-N 0 0 323.418 0.411 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172745773 158399048 /nfs/dbraw/zinc/39/90/48/158399048.db2.gz UYPXZEDTHSFZGE-AWEZNQCLSA-N 0 0 311.426 0.472 10 0 DCAERN CCc1nc(C2(NCCNS(=O)(=O)CC)CCCC2)no1 ZINC000173694565 158408489 /nfs/dbraw/zinc/40/84/89/158408489.db2.gz IATMDMPQCGGBCU-UHFFFAOYSA-N 0 0 316.427 0.930 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)CC(=O)N(C)C)cn2)CCO1 ZINC000173971658 158413414 /nfs/dbraw/zinc/41/34/14/158413414.db2.gz KTGXZNZRFRALRT-GFCCVEGCSA-N 0 0 320.393 0.401 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000174568476 158418757 /nfs/dbraw/zinc/41/87/57/158418757.db2.gz JEOASQFPKUEXQQ-LLVKDONJSA-N 0 0 320.393 0.793 10 0 DCAERN COC(=O)C[C@@H]1CN(c2cc(=O)n3ccccc3n2)CCO1 ZINC000174928712 158421672 /nfs/dbraw/zinc/42/16/72/158421672.db2.gz JKAMVYWYNVDRQQ-LLVKDONJSA-N 0 0 303.318 0.463 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NCC(C)(C)O)CC2)n1 ZINC000174825619 158422218 /nfs/dbraw/zinc/42/22/18/158422218.db2.gz BAQHWLDQSBNMIS-UHFFFAOYSA-N 0 0 308.382 0.589 10 0 DCAERN COC[C@H]1CN(C(=O)NCc2cccnc2N(C)C)CCO1 ZINC000175077776 158424562 /nfs/dbraw/zinc/42/45/62/158424562.db2.gz ZKGYJEYCPKYOQB-CYBMUJFWSA-N 0 0 308.382 0.704 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@H](CC)C(=O)N1CCOCC1 ZINC000175315410 158426643 /nfs/dbraw/zinc/42/66/43/158426643.db2.gz NPLKFZYAPOWROH-LLVKDONJSA-N 0 0 309.366 0.913 10 0 DCAERN CCOCCOCC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000175453199 158427107 /nfs/dbraw/zinc/42/71/07/158427107.db2.gz KFMHFTOIFXTTEZ-UHFFFAOYSA-N 0 0 307.350 0.499 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000178680626 158461615 /nfs/dbraw/zinc/46/16/15/158461615.db2.gz JKBFEYDJKNMLBP-RISCZKNCSA-N 0 0 321.377 0.515 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000179206730 158469739 /nfs/dbraw/zinc/46/97/39/158469739.db2.gz ZDNMPRFLPOWVDV-UHTWSYAYSA-N 0 0 318.377 0.741 10 0 DCAERN CC[C@@H](C)NC(=O)C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180262437 158477626 /nfs/dbraw/zinc/47/76/26/158477626.db2.gz FWGSQWFGNMLKLJ-YLVJLNSGSA-N 0 0 304.441 0.768 10 0 DCAERN CCCN(CCO)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182555055 158492690 /nfs/dbraw/zinc/49/26/90/158492690.db2.gz JTSFBQGVTDIGJK-AWEZNQCLSA-N 0 0 320.393 0.991 10 0 DCAERN C[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183514645 158499633 /nfs/dbraw/zinc/49/96/33/158499633.db2.gz OWXZHOAAESDNTR-YPMHNXCESA-N 0 0 306.366 0.505 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H](CO)CC(C)C)C1 ZINC000185662076 158523580 /nfs/dbraw/zinc/52/35/80/158523580.db2.gz RWNVTWNAZVFHOO-CHWSQXEVSA-N 0 0 314.430 0.839 10 0 DCAERN CN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1=O ZINC000188224782 158544033 /nfs/dbraw/zinc/54/40/33/158544033.db2.gz JIPBSPITQRXKOS-UHFFFAOYSA-N 0 0 318.786 0.170 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1cn2ccnc2s1 ZINC000188381230 158544484 /nfs/dbraw/zinc/54/44/84/158544484.db2.gz PAKNMQDGJQANIN-UHFFFAOYSA-N 0 0 310.379 0.621 10 0 DCAERN Cc1nccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188815881 158547732 /nfs/dbraw/zinc/54/77/32/158547732.db2.gz CJIDMGOUAWGEDJ-UHFFFAOYSA-N 0 0 303.366 0.595 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000188982272 158548991 /nfs/dbraw/zinc/54/89/91/158548991.db2.gz JAYLPUFCSBXRMA-LVQVYYBASA-N 0 0 302.374 0.888 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1nnc(C2CCC2)n1C ZINC000189602728 158553658 /nfs/dbraw/zinc/55/36/58/158553658.db2.gz LGVNWUQNRINNRO-DGCLKSJQSA-N 0 0 308.382 0.581 10 0 DCAERN CCN1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1=O ZINC000190537412 158560755 /nfs/dbraw/zinc/56/07/55/158560755.db2.gz VHOSILDYACJRBH-UHFFFAOYSA-N 0 0 307.325 0.133 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1=O ZINC000190653168 158561758 /nfs/dbraw/zinc/56/17/58/158561758.db2.gz PVRLZNXWKFRAME-UHFFFAOYSA-N 0 0 308.281 0.914 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190679103 158562820 /nfs/dbraw/zinc/56/28/20/158562820.db2.gz FQHPXULNGNLTRX-SNVBAGLBSA-N 0 0 307.354 0.140 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191045808 158565251 /nfs/dbraw/zinc/56/52/51/158565251.db2.gz IHSMFDJDBIGNNF-UHFFFAOYSA-N 0 0 303.362 0.878 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000191403024 158567729 /nfs/dbraw/zinc/56/77/29/158567729.db2.gz SDVDWNRSJDFYOO-FVINQWEUSA-N 0 0 303.428 0.454 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)cn1 ZINC000191766822 158570739 /nfs/dbraw/zinc/57/07/39/158570739.db2.gz YMTGZABDJZUZNV-AWEZNQCLSA-N 0 0 303.366 0.779 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246161977 158658779 /nfs/dbraw/zinc/65/87/79/158658779.db2.gz DZIYGJLUKADWML-GRYCIOLGSA-N 0 0 309.370 0.086 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000246588774 158667138 /nfs/dbraw/zinc/66/71/38/158667138.db2.gz YRYUUEXSZNKDMY-MBOZISHXSA-N 0 0 312.410 0.984 10 0 DCAERN COc1c(C)cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1C ZINC000285739949 158966319 /nfs/dbraw/zinc/96/63/19/158966319.db2.gz YWPAPZPNZDTMND-INIZCTEOSA-N 0 0 306.362 0.764 10 0 DCAERN CCOc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000319524718 159007933 /nfs/dbraw/zinc/00/79/33/159007933.db2.gz OEZLAFMHGVPCDS-MRXNPFEDSA-N 0 0 306.362 0.467 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000320289761 159009709 /nfs/dbraw/zinc/00/97/09/159009709.db2.gz ALMJHFGKPKNOIX-STQMWFEESA-N 0 0 304.346 0.793 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000323363817 159012751 /nfs/dbraw/zinc/01/27/51/159012751.db2.gz XVWHYXUNTQNQIY-KRWDZBQOSA-N 0 0 313.357 0.930 10 0 DCAERN COc1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc(C)n1 ZINC000328663880 159018420 /nfs/dbraw/zinc/01/84/20/159018420.db2.gz YETXLZRHHVVDEG-JTQLQIEISA-N 0 0 304.306 0.615 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328686499 159021411 /nfs/dbraw/zinc/02/14/11/159021411.db2.gz YIGCAMFTHXUMJJ-GHMZBOCLSA-N 0 0 317.411 0.426 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000328716145 159024222 /nfs/dbraw/zinc/02/42/22/159024222.db2.gz TWJABCWMOGYXRC-NSHDSACASA-N 0 0 324.348 0.800 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)on1 ZINC000328834853 159033226 /nfs/dbraw/zinc/03/32/26/159033226.db2.gz LZPNHASRWQUCIH-CHWSQXEVSA-N 0 0 315.395 0.218 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CN3CCCCCCC3=O)C[C@@H]21 ZINC000328872304 159035826 /nfs/dbraw/zinc/03/58/26/159035826.db2.gz DVFXKUAOIOCZRV-GJZGRUSLSA-N 0 0 323.437 0.711 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@@H]2CCc3nc(C)nn3C2)no1 ZINC000328881637 159037256 /nfs/dbraw/zinc/03/72/56/159037256.db2.gz MJOPXHNYDCEMCF-SNVBAGLBSA-N 0 0 311.367 0.317 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328915892 159040822 /nfs/dbraw/zinc/04/08/22/159040822.db2.gz JZECMOJOUWRCCR-GRYCIOLGSA-N 0 0 300.384 0.250 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)nn1 ZINC000328930678 159042403 /nfs/dbraw/zinc/04/24/03/159042403.db2.gz ZEBMYPFPDADWEZ-HUUCEWRRSA-N 0 0 321.425 0.869 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329012529 159051595 /nfs/dbraw/zinc/05/15/95/159051595.db2.gz IPWSISKDWGLBES-KBPBESRZSA-N 0 0 305.382 0.528 10 0 DCAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccsc1 ZINC000329034620 159053622 /nfs/dbraw/zinc/05/36/22/159053622.db2.gz YHIIQOQSZRXKFX-LLVKDONJSA-N 0 0 302.421 0.890 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000329041265 159054888 /nfs/dbraw/zinc/05/48/88/159054888.db2.gz SSQNTCVAVPYODK-SJHCENCUSA-N 0 0 306.366 0.827 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329064562 159057416 /nfs/dbraw/zinc/05/74/16/159057416.db2.gz OOAVQILNJLFGJJ-GJZGRUSLSA-N 0 0 305.378 0.782 10 0 DCAERN C[C@H](CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)N1CCCCC1=O ZINC000329118137 159064471 /nfs/dbraw/zinc/06/44/71/159064471.db2.gz JIWHLOLXQWVTRF-UPJWGTAASA-N 0 0 322.409 0.606 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@H]2c2ncnn2C)n1 ZINC000329130145 159065908 /nfs/dbraw/zinc/06/59/08/159065908.db2.gz WRCWTVRKKGWXPN-LBPRGKRZSA-N 0 0 317.349 0.361 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCO[C@H](C3CC3)C2)CCOCC1 ZINC000329141420 159066352 /nfs/dbraw/zinc/06/63/52/159066352.db2.gz UGRULBSMLAKXER-LBPRGKRZSA-N 0 0 317.407 0.218 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C[C@H](O)Cn1cccn1 ZINC000329150771 159067638 /nfs/dbraw/zinc/06/76/38/159067638.db2.gz RWEKUFXJOATJGM-LSDHHAIUSA-N 0 0 319.409 0.668 10 0 DCAERN O=S(=O)(NCc1ccnc2ccnn21)N1CCCCCC1 ZINC000329258595 159077665 /nfs/dbraw/zinc/07/76/65/159077665.db2.gz YLCUIEKGPMDRBI-UHFFFAOYSA-N 0 0 309.395 0.940 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N(C)Cc1nc([C@H](C)OC)no1 ZINC000329350530 159084686 /nfs/dbraw/zinc/08/46/86/159084686.db2.gz DHCPMFAJNSIMIM-QWRGUYRKSA-N 0 0 312.370 0.456 10 0 DCAERN CC(C)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000329394745 159088698 /nfs/dbraw/zinc/08/86/98/159088698.db2.gz VJDMBLJSMBSJCK-GJZGRUSLSA-N 0 0 323.437 0.709 10 0 DCAERN CN(C(=O)Cc1csc(-c2cnccn2)n1)[C@@H]1COC[C@H]1O ZINC000329402989 159089829 /nfs/dbraw/zinc/08/98/29/159089829.db2.gz WPVWVRSNXJDMOD-VXGBXAGGSA-N 0 0 320.374 0.361 10 0 DCAERN CCN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000329420136 159091271 /nfs/dbraw/zinc/09/12/71/159091271.db2.gz HEEKITDSAOOTMF-ZIAGYGMSSA-N 0 0 309.410 0.321 10 0 DCAERN Cc1nnc([C@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)[nH]1 ZINC000329436292 159092073 /nfs/dbraw/zinc/09/20/73/159092073.db2.gz JUUAPNCZEGNRHP-YPMHNXCESA-N 0 0 307.398 0.540 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329444554 159093626 /nfs/dbraw/zinc/09/36/26/159093626.db2.gz NOWCINRJRZFRKW-WDEREUQCSA-N 0 0 317.411 0.413 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC(n4ccnn4)C3)cc12 ZINC000329519868 159098717 /nfs/dbraw/zinc/09/87/17/159098717.db2.gz FGEDVOADMCSMEQ-UHFFFAOYSA-N 0 0 320.334 0.368 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)c3nnc4ccccc4n3)CCO2)cn1 ZINC000329523646 159099881 /nfs/dbraw/zinc/09/98/81/159099881.db2.gz PZHWBQYXTUGYNR-CQSZACIVSA-N 0 0 324.344 0.972 10 0 DCAERN COCCN(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC000329535132 159100795 /nfs/dbraw/zinc/10/07/95/159100795.db2.gz LEPQPGVRJOPVMU-RVMXOQNASA-N 0 0 317.407 0.074 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000329613352 159106361 /nfs/dbraw/zinc/10/63/61/159106361.db2.gz KGGVZRQVLMUESZ-UHFFFAOYSA-N 0 0 314.411 0.379 10 0 DCAERN CC[C@@]1(C)CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCO1 ZINC000329649135 159108849 /nfs/dbraw/zinc/10/88/49/159108849.db2.gz KCRWDUAFNQPYEH-NFAWXSAZSA-N 0 0 324.381 0.506 10 0 DCAERN CN1CCN(C(=O)Cc2noc([C@@H]3CCCN3C3CC3)n2)CC1 ZINC000329669699 159110748 /nfs/dbraw/zinc/11/07/48/159110748.db2.gz MLODVJCMPYQMEB-ZDUSSCGKSA-N 0 0 319.409 0.685 10 0 DCAERN C[C@H](C(=O)N1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000329683627 159111752 /nfs/dbraw/zinc/11/17/52/159111752.db2.gz TVVMIZJBMODJET-CQSZACIVSA-N 0 0 306.410 0.842 10 0 DCAERN O=C(NCCNS(=O)(=O)NC1CCCC1)c1cccs1 ZINC000329812956 159120793 /nfs/dbraw/zinc/12/07/93/159120793.db2.gz DHCVJDZEFLTYFL-UHFFFAOYSA-N 0 0 317.436 0.845 10 0 DCAERN O=C(CN1CSCC1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329891919 159126692 /nfs/dbraw/zinc/12/66/92/159126692.db2.gz IOCRPGBCTUNRFA-LBPRGKRZSA-N 0 0 307.375 0.594 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)[nH]1 ZINC000330061983 159139001 /nfs/dbraw/zinc/13/90/01/159139001.db2.gz AKWCKEZYMLTBOA-GFCCVEGCSA-N 0 0 321.425 0.794 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330076876 159140256 /nfs/dbraw/zinc/14/02/56/159140256.db2.gz DYSPSKKDYSRPFT-HZSPNIEDSA-N 0 0 316.361 0.600 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CCC[C@H](c2nccs2)C1 ZINC000330094485 159141723 /nfs/dbraw/zinc/14/17/23/159141723.db2.gz SYHCTQOFPOIDCF-VIFPVBQESA-N 0 0 313.408 0.840 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@]3(C)CCCNC3=O)CCO2)[nH]1 ZINC000330230274 159152407 /nfs/dbraw/zinc/15/24/07/159152407.db2.gz DJTOAGMQHZMAEB-HZMBPMFUSA-N 0 0 307.354 0.770 10 0 DCAERN C[C@]1(C(=O)N2CCN(CCn3cncn3)CC2)CCCNC1=O ZINC000330265089 159155631 /nfs/dbraw/zinc/15/56/31/159155631.db2.gz YTKMRBBQQREDPF-HNNXBMFYSA-N 0 0 320.397 0.179 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1c1ncnc2c1ncn2C1CC1 ZINC000330294190 159157365 /nfs/dbraw/zinc/15/73/65/159157365.db2.gz IJTOUGGFZRODPJ-JTQLQIEISA-N 0 0 322.394 0.419 10 0 DCAERN Cc1c([C@@H]2[C@H](C(=O)N3CC[C@H](CO)C3)CC(=O)N2C)cnn1C ZINC000330292152 159157723 /nfs/dbraw/zinc/15/77/23/159157723.db2.gz GZWNLHZJTKAEPA-ZOWXZIJZSA-N 0 0 320.393 0.089 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccnc2ccncc21 ZINC000330325094 159159900 /nfs/dbraw/zinc/15/99/00/159159900.db2.gz UKYYNWOBLWQIMI-SNVBAGLBSA-N 0 0 305.359 0.815 10 0 DCAERN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[C@H](N2CCOCC2)C1 ZINC000330330518 159160773 /nfs/dbraw/zinc/16/07/73/159160773.db2.gz NJYMHVWSLNXKRO-STQMWFEESA-N 0 0 320.393 0.460 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000330328009 159160909 /nfs/dbraw/zinc/16/09/09/159160909.db2.gz LINJUQMJMKPGGJ-CYZMBNFOSA-N 0 0 306.366 0.069 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000330405136 159169414 /nfs/dbraw/zinc/16/94/14/159169414.db2.gz XRZMBYIVTBGNAR-GFCCVEGCSA-N 0 0 311.426 0.864 10 0 DCAERN C[C@@H](CNC(=O)C[C@@H]1CCCCNC1=O)CN1CCOCC1 ZINC000332756567 159212406 /nfs/dbraw/zinc/21/24/06/159212406.db2.gz CDNPVXHAMROFOX-KBPBESRZSA-N 0 0 311.426 0.377 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000332760596 159213301 /nfs/dbraw/zinc/21/33/01/159213301.db2.gz XWQDHCVDACNHLD-RWMBFGLXSA-N 0 0 310.398 0.657 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000332933788 159217547 /nfs/dbraw/zinc/21/75/47/159217547.db2.gz JWRXTDUZJIVXSC-YVECIDJPSA-N 0 0 322.365 0.763 10 0 DCAERN CC(C)N(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367231842 159323090 /nfs/dbraw/zinc/32/30/90/159323090.db2.gz PPTFGPCLYUUYOG-CHWSQXEVSA-N 0 0 320.455 0.729 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCOc2cccc(F)c2C1 ZINC000367293072 159328068 /nfs/dbraw/zinc/32/80/68/159328068.db2.gz XYESGCZQUXAZLM-UHFFFAOYSA-N 0 0 302.327 0.096 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367422243 159337109 /nfs/dbraw/zinc/33/71/09/159337109.db2.gz FCPGPRAOYHVJJL-GHMZBOCLSA-N 0 0 313.379 0.855 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367422244 159337848 /nfs/dbraw/zinc/33/78/48/159337848.db2.gz FCPGPRAOYHVJJL-MNOVXSKESA-N 0 0 313.379 0.855 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C1(C)C ZINC000367744399 159354553 /nfs/dbraw/zinc/35/45/53/159354553.db2.gz ARRGWVNVICCFNC-PZWNZHSQSA-N 0 0 313.398 0.330 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367826427 159358207 /nfs/dbraw/zinc/35/82/07/159358207.db2.gz NPTSJJQUYNLLGT-LBPRGKRZSA-N 0 0 324.299 0.151 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)CCO1 ZINC000368282783 159384897 /nfs/dbraw/zinc/38/48/97/159384897.db2.gz GXJIQNHHTLNMQM-ZNMIVQPWSA-N 0 0 311.426 0.916 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368315997 159387473 /nfs/dbraw/zinc/38/74/73/159387473.db2.gz DPZSTBMSVSCKGN-ZDUSSCGKSA-N 0 0 304.350 0.334 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000368490958 159398415 /nfs/dbraw/zinc/39/84/15/159398415.db2.gz RFPPVZVLYIIKIQ-SIVJFFJCSA-N 0 0 324.327 0.907 10 0 DCAERN CO[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000368977200 159430405 /nfs/dbraw/zinc/43/04/05/159430405.db2.gz CTNRJSDGJCQPBA-SCZZXKLOSA-N 0 0 308.338 0.660 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CC(n2ccnn2)C1 ZINC000371671852 159580988 /nfs/dbraw/zinc/58/09/88/159580988.db2.gz REIVKFJDTNUHOA-UHFFFAOYSA-N 0 0 303.297 0.231 10 0 DCAERN O=C(c1cc(-c2ccco2)n[nH]1)N1CCN2CCOC[C@@H]2C1 ZINC000371784876 159585135 /nfs/dbraw/zinc/58/51/35/159585135.db2.gz VQQLOKFTVRPYMN-NSHDSACASA-N 0 0 302.334 0.826 10 0 DCAERN O=C(NCC1CC1)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374760198 159750398 /nfs/dbraw/zinc/75/03/98/159750398.db2.gz PGZZQNLMPXWTLS-QWHCGFSZSA-N 0 0 310.394 0.197 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)CN1CCOCC1)[C@@H]2C ZINC000375524818 159798138 /nfs/dbraw/zinc/79/81/38/159798138.db2.gz ITISXONYXKXFJS-GFCCVEGCSA-N 0 0 307.398 0.637 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000376159474 159841738 /nfs/dbraw/zinc/84/17/38/159841738.db2.gz VXTMIVOSQMCVJU-UMSGYPCISA-N 0 0 309.362 0.782 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3)CCO1 ZINC000378621943 159992399 /nfs/dbraw/zinc/99/23/99/159992399.db2.gz WEOZBMZSDVNKEG-ZDUSSCGKSA-N 0 0 319.361 0.990 10 0 DCAERN C[C@H]1CN(C(=O)NCCCN2CCCCCC2=O)CC(=O)N1C ZINC000407972335 159999758 /nfs/dbraw/zinc/99/97/58/159999758.db2.gz TUGWICAPAQEPKQ-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000407973521 159999768 /nfs/dbraw/zinc/99/97/68/159999768.db2.gz QJINDRBFORNCEC-GFCCVEGCSA-N 0 0 305.444 0.810 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 ZINC000407975828 160000873 /nfs/dbraw/zinc/00/08/73/160000873.db2.gz LRPCKKNTRQICBB-LLVKDONJSA-N 0 0 313.379 0.583 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000407979252 160001323 /nfs/dbraw/zinc/00/13/23/160001323.db2.gz UQHXUXJHUVDSPY-JSGCOSHPSA-N 0 0 312.410 0.801 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCCO[C@@H]2CC(C)C)C1 ZINC000407988985 160004147 /nfs/dbraw/zinc/00/41/47/160004147.db2.gz WFLNSYPTDRWQRG-QWHCGFSZSA-N 0 0 312.414 0.903 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000407997750 160006757 /nfs/dbraw/zinc/00/67/57/160006757.db2.gz JIHPFYUOBXVNFD-SDDRHHMPSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)C1 ZINC000408002611 160007811 /nfs/dbraw/zinc/00/78/11/160007811.db2.gz GKFYMLDKHSERKF-DTWKUNHWSA-N 0 0 304.334 0.866 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)C1 ZINC000408002612 160007883 /nfs/dbraw/zinc/00/78/83/160007883.db2.gz GKFYMLDKHSERKF-IUCAKERBSA-N 0 0 304.334 0.866 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCC1 ZINC000408004118 160008716 /nfs/dbraw/zinc/00/87/16/160008716.db2.gz LSMPMLTYBQVETQ-LBPRGKRZSA-N 0 0 303.428 0.660 10 0 DCAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC[C@H](CCO)C1 ZINC000408007677 160009441 /nfs/dbraw/zinc/00/94/41/160009441.db2.gz BIERNZZGTHPPEV-UTLUCORTSA-N 0 0 308.300 0.674 10 0 DCAERN CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)N1CCCCCC1 ZINC000408015498 160011003 /nfs/dbraw/zinc/01/10/03/160011003.db2.gz CKPGGFBIRGZCEL-QWHCGFSZSA-N 0 0 322.471 0.855 10 0 DCAERN C[C@@H]1C[C@H](N(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CCN1C ZINC000408016545 160012532 /nfs/dbraw/zinc/01/25/32/160012532.db2.gz ICGHYTIJZVLPGU-UPJWGTAASA-N 0 0 317.455 0.640 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408019815 160013101 /nfs/dbraw/zinc/01/31/01/160013101.db2.gz BBKRXGUPNKGERA-FPMFFAJLSA-N 0 0 321.377 0.329 10 0 DCAERN C[C@@H]1CCCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[C@H]1CO ZINC000408020177 160014099 /nfs/dbraw/zinc/01/40/99/160014099.db2.gz ZHPOCGRCDWSNHX-WOPDTQHZSA-N 0 0 304.412 0.318 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408022177 160014240 /nfs/dbraw/zinc/01/42/40/160014240.db2.gz KPJALNHZOVRLAF-UONOGXRCSA-N 0 0 321.377 0.249 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000408029314 160015485 /nfs/dbraw/zinc/01/54/85/160015485.db2.gz HTSLTBOIQWUVHH-CQSZACIVSA-N 0 0 305.378 0.371 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408028641 160015641 /nfs/dbraw/zinc/01/56/41/160015641.db2.gz QPQDKQJDPNJECH-GXSJLCMTSA-N 0 0 318.399 0.031 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3COCCN3C)CCO2)cn1 ZINC000408029612 160015757 /nfs/dbraw/zinc/01/57/57/160015757.db2.gz IDEFUSUZSNUQKV-KBPBESRZSA-N 0 0 308.382 0.134 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000408031459 160016929 /nfs/dbraw/zinc/01/69/29/160016929.db2.gz UOVZLIDBLZICHS-ZIAGYGMSSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3COCCN3C)CC2)oc1C ZINC000408034527 160017379 /nfs/dbraw/zinc/01/73/79/160017379.db2.gz GCMZNEOSEZMIRU-AWEZNQCLSA-N 0 0 322.409 0.266 10 0 DCAERN Cc1nn(C)cc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408034763 160017593 /nfs/dbraw/zinc/01/75/93/160017593.db2.gz HHXFUNRIDUCCSD-KGLIPLIRSA-N 0 0 310.373 0.500 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408041101 160020965 /nfs/dbraw/zinc/02/09/65/160020965.db2.gz FJPBKLIXUCGUPC-HZSPNIEDSA-N 0 0 305.378 0.374 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408054158 160024241 /nfs/dbraw/zinc/02/42/41/160024241.db2.gz KNAPOQZJMJDXPB-YIYPIFLZSA-N 0 0 323.437 0.851 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H]1C(N)=O ZINC000408054939 160024393 /nfs/dbraw/zinc/02/43/93/160024393.db2.gz PXVNCOWRVHGCJX-FNCVBFRFSA-N 0 0 321.299 0.023 10 0 DCAERN CC(C)OCC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053175 160024471 /nfs/dbraw/zinc/02/44/71/160024471.db2.gz NTSHPVPBWXPMJD-NEPJUHHUSA-N 0 0 302.346 0.209 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000408052742 160024626 /nfs/dbraw/zinc/02/46/26/160024626.db2.gz CZSKZTBPWCGKKN-YIYPIFLZSA-N 0 0 305.378 0.108 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000408054998 160025066 /nfs/dbraw/zinc/02/50/66/160025066.db2.gz VVWMHUQRGORBME-HOCLYGCPSA-N 0 0 322.361 0.553 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)CCO1 ZINC000408059300 160025650 /nfs/dbraw/zinc/02/56/50/160025650.db2.gz GGKODDILDSYLMB-DGCLKSJQSA-N 0 0 322.365 0.381 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1(NC(N)=O)CC1 ZINC000408058583 160025988 /nfs/dbraw/zinc/02/59/88/160025988.db2.gz CEVWRUPFZIBRTD-NSHDSACASA-N 0 0 305.382 0.901 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C[C@@H](C)O1 ZINC000408077233 160030707 /nfs/dbraw/zinc/03/07/07/160030707.db2.gz VEYITEXOQOQSRS-CKYFFXLPSA-N 0 0 304.412 0.470 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408079776 160031056 /nfs/dbraw/zinc/03/10/56/160031056.db2.gz OBRUEJXNVGUCMZ-XCCSTKFXSA-N 0 0 313.394 0.963 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@H]1O ZINC000408086935 160032279 /nfs/dbraw/zinc/03/22/79/160032279.db2.gz AMHDZNQLMSZIFN-GHMZBOCLSA-N 0 0 313.375 0.849 10 0 DCAERN O=C(NC1CCS(=O)CC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000408087447 160032734 /nfs/dbraw/zinc/03/27/34/160032734.db2.gz DURZJCYTTPADBS-CHZKIDILSA-N 0 0 312.435 0.805 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000408091497 160033333 /nfs/dbraw/zinc/03/33/33/160033333.db2.gz OWHWCWPVYJWQCC-GFCCVEGCSA-N 0 0 305.382 0.755 10 0 DCAERN CC[C@]1(C)COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408090588 160033475 /nfs/dbraw/zinc/03/34/75/160033475.db2.gz VLSJJOYAMNBGDS-OAHLLOKOSA-N 0 0 319.365 0.158 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@@H]1O ZINC000408091636 160034010 /nfs/dbraw/zinc/03/40/10/160034010.db2.gz VTLPCNHEYZHWOR-HZMBPMFUSA-N 0 0 322.386 0.920 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1O ZINC000408093978 160034016 /nfs/dbraw/zinc/03/40/16/160034016.db2.gz XPMVLGRIUVLOPE-KXUCPTDWSA-N 0 0 323.315 0.562 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)o1 ZINC000408098257 160035128 /nfs/dbraw/zinc/03/51/28/160035128.db2.gz SNGRWCPSZNSRHI-YPMHNXCESA-N 0 0 314.407 0.929 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)o1 ZINC000408098317 160035827 /nfs/dbraw/zinc/03/58/27/160035827.db2.gz QBOLULMRZCRILC-LBPRGKRZSA-N 0 0 300.380 0.683 10 0 DCAERN CC(C)[C@@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408104916 160036413 /nfs/dbraw/zinc/03/64/13/160036413.db2.gz GDVGDQWEESFIKC-FRRDWIJNSA-N 0 0 320.455 0.727 10 0 DCAERN C[C@@H]1CN(C2CCN(C(=O)C(=O)c3cnn(C)c3)CC2)CCO1 ZINC000408103863 160036565 /nfs/dbraw/zinc/03/65/65/160036565.db2.gz CGGABFKSTPIQID-GFCCVEGCSA-N 0 0 320.393 0.315 10 0 DCAERN CC[C@@H]1CO[C@@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408109283 160038253 /nfs/dbraw/zinc/03/82/53/160038253.db2.gz WMSTVUOXWHSUDI-WDEREUQCSA-N 0 0 319.365 0.156 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408115567 160039794 /nfs/dbraw/zinc/03/97/94/160039794.db2.gz LDNUKQWHARHWAU-STQMWFEESA-N 0 0 318.439 0.589 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](C)C1 ZINC000408118718 160040157 /nfs/dbraw/zinc/04/01/57/160040157.db2.gz WDQHVCKJMDPDDB-QWRGUYRKSA-N 0 0 309.370 0.690 10 0 DCAERN CSCC[C@@H](CO)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121029 160040852 /nfs/dbraw/zinc/04/08/52/160040852.db2.gz BQNZULFTZAMIFR-JTQLQIEISA-N 0 0 312.457 0.046 10 0 DCAERN CC1(C)CN(S(=O)(=O)NCC2(CCO)CCC2)CCO1 ZINC000408123060 160042019 /nfs/dbraw/zinc/04/20/19/160042019.db2.gz MZMQAPMBXGNHPK-UHFFFAOYSA-N 0 0 306.428 0.484 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(c2nncn2C2CC2)CC1 ZINC000408126558 160042758 /nfs/dbraw/zinc/04/27/58/160042758.db2.gz QBVWYOFXXZEDEA-NSHDSACASA-N 0 0 303.366 0.455 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408132419 160044188 /nfs/dbraw/zinc/04/41/88/160044188.db2.gz JSLKQCOLIRTPFN-QWHCGFSZSA-N 0 0 317.455 0.954 10 0 DCAERN Cc1noc(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000408137061 160044970 /nfs/dbraw/zinc/04/49/70/160044970.db2.gz CFDIEXPYHBLSEI-GFCCVEGCSA-N 0 0 321.381 0.922 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H](C)S(C)(=O)=O)C2 ZINC000408146173 160047859 /nfs/dbraw/zinc/04/78/59/160047859.db2.gz YDELPOGLCHGZOL-JTQLQIEISA-N 0 0 313.423 0.861 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408150751 160048415 /nfs/dbraw/zinc/04/84/15/160048415.db2.gz RPKVVTYADUUPQI-PWSUYJOCSA-N 0 0 313.423 0.077 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000408156509 160049222 /nfs/dbraw/zinc/04/92/22/160049222.db2.gz ZETAJHIEYMAUIK-NSHDSACASA-N 0 0 305.444 0.952 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408153083 160049370 /nfs/dbraw/zinc/04/93/70/160049370.db2.gz IEUIUEBPJLJTHF-BJDJZHNGSA-N 0 0 319.427 0.323 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000408162971 160050250 /nfs/dbraw/zinc/05/02/50/160050250.db2.gz ALIOOTLMPBNJMG-QWRGUYRKSA-N 0 0 310.441 0.130 10 0 DCAERN COc1cc(C)nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000408163577 160050579 /nfs/dbraw/zinc/05/05/79/160050579.db2.gz FRVQRWUEKHXKDE-ZDUSSCGKSA-N 0 0 320.393 0.869 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC(=O)N1 ZINC000408164537 160051351 /nfs/dbraw/zinc/05/13/51/160051351.db2.gz ILZXIXGKTJXPLM-CHWSQXEVSA-N 0 0 317.389 0.956 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H](O)CC1 ZINC000408176802 160053665 /nfs/dbraw/zinc/05/36/65/160053665.db2.gz GROSEWCHZGROGJ-NSHDSACASA-N 0 0 317.345 0.476 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)o1 ZINC000408186646 160055447 /nfs/dbraw/zinc/05/54/47/160055447.db2.gz IZNKJFUQMSEKFJ-GUBZILKMSA-N 0 0 314.363 0.031 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCOCC2(CCOCC2)C1 ZINC000408188372 160055704 /nfs/dbraw/zinc/05/57/04/160055704.db2.gz FRMZIGUAEJVANS-UHFFFAOYSA-N 0 0 323.397 0.507 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(C(C)=O)CC2(C)C)CC(=O)N1 ZINC000408188370 160055754 /nfs/dbraw/zinc/05/57/54/160055754.db2.gz FPZSKVGPOSXPQO-STQMWFEESA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000408192722 160056895 /nfs/dbraw/zinc/05/68/95/160056895.db2.gz OKPJRRZKHFUNKT-ZOBORPQBSA-N 0 0 320.455 0.271 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000408196875 160057703 /nfs/dbraw/zinc/05/77/03/160057703.db2.gz DKHZOKKZYRTTKC-STQMWFEESA-N 0 0 309.410 0.759 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(c3nccn3C)CC2)CC(=O)N1 ZINC000408200917 160058477 /nfs/dbraw/zinc/05/84/77/160058477.db2.gz FUARPWDNVYVCBJ-OLZOCXBDSA-N 0 0 319.409 0.374 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](C)C3)CC2)c1 ZINC000408200521 160058494 /nfs/dbraw/zinc/05/84/94/160058494.db2.gz CQYLHZOYXJMTID-ZIAGYGMSSA-N 0 0 316.405 0.953 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)CC2 ZINC000408203325 160059320 /nfs/dbraw/zinc/05/93/20/160059320.db2.gz CTCKJJXGJBAHMS-VXGBXAGGSA-N 0 0 323.393 0.592 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408204738 160059327 /nfs/dbraw/zinc/05/93/27/160059327.db2.gz OQZYUJWRTPXNSV-KBVBSXBZSA-N 0 0 308.300 0.817 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)CC(=O)N1 ZINC000408205443 160059819 /nfs/dbraw/zinc/05/98/19/160059819.db2.gz YCUGVAPXBMGLKR-NEPJUHHUSA-N 0 0 320.368 0.784 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000408241087 160066687 /nfs/dbraw/zinc/06/66/87/160066687.db2.gz SEXLVGLRAWRCMR-SDDRHHMPSA-N 0 0 317.407 0.611 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408238695 160066845 /nfs/dbraw/zinc/06/68/45/160066845.db2.gz VVBNPSLOLPDCDZ-NWDGAFQWSA-N 0 0 321.443 0.141 10 0 DCAERN C[C@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC(C)CC2)CC1=O ZINC000408239147 160067100 /nfs/dbraw/zinc/06/71/00/160067100.db2.gz VRVCXLGYSYKQTR-XQQFMLRXSA-N 0 0 315.439 0.562 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)C(=O)c2cnn(C)c2)CC1(C)C ZINC000408243757 160068279 /nfs/dbraw/zinc/06/82/79/160068279.db2.gz ASUPVFPIAGEFJS-UHFFFAOYSA-N 0 0 306.366 0.461 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H](O)C1(C)C ZINC000408246344 160068641 /nfs/dbraw/zinc/06/86/41/160068641.db2.gz JEVCVBWGGQUKBU-PSASIEDQSA-N 0 0 311.411 0.860 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000408247958 160069207 /nfs/dbraw/zinc/06/92/07/160069207.db2.gz QUTKZBFJXXPVTN-DGAVXFQQSA-N 0 0 321.421 0.759 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408248545 160069234 /nfs/dbraw/zinc/06/92/34/160069234.db2.gz FVTWDJQKIBTJEI-NEPJUHHUSA-N 0 0 309.366 0.346 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408252395 160069949 /nfs/dbraw/zinc/06/99/49/160069949.db2.gz QAOOJQOLUDIAMN-OAHLLOKOSA-N 0 0 310.398 0.213 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000408253662 160069963 /nfs/dbraw/zinc/06/99/63/160069963.db2.gz IXYYVOPYDXYODL-ABAIWWIYSA-N 0 0 305.382 0.793 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cnn1 ZINC000408254422 160070768 /nfs/dbraw/zinc/07/07/68/160070768.db2.gz DIUQCSFMHXCCJM-LBPRGKRZSA-N 0 0 312.395 0.327 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000408258140 160070870 /nfs/dbraw/zinc/07/08/70/160070870.db2.gz VEJSPTJTZBLZGN-AAVRWANBSA-N 0 0 310.442 0.931 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000408260724 160071500 /nfs/dbraw/zinc/07/15/00/160071500.db2.gz XGPYXWDXHWZAMA-ZJUUUORDSA-N 0 0 312.395 0.109 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@@H]1O ZINC000408266827 160072629 /nfs/dbraw/zinc/07/26/29/160072629.db2.gz UDMRGMHWFNEOOH-NSHDSACASA-N 0 0 316.354 0.316 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@@H](CO)O1 ZINC000408269479 160072908 /nfs/dbraw/zinc/07/29/08/160072908.db2.gz CFTLEKBOEOUFPG-WOPDTQHZSA-N 0 0 309.366 0.146 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCS(=O)(=O)C2)CC[S@]1=O ZINC000408273018 160073517 /nfs/dbraw/zinc/07/35/17/160073517.db2.gz MHJVHJHUYCYOEH-JEOXALJRSA-N 0 0 321.464 0.571 10 0 DCAERN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408272857 160073573 /nfs/dbraw/zinc/07/35/73/160073573.db2.gz KDOPONMUHKCMBV-UPJWGTAASA-N 0 0 302.440 0.752 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)[C@H]2CCCCC(=O)N2)C(C)(C)C1 ZINC000408271970 160073664 /nfs/dbraw/zinc/07/36/64/160073664.db2.gz UZFCUPNDMYDRGD-GFCCVEGCSA-N 0 0 324.425 0.650 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1C(C)C ZINC000408274047 160073666 /nfs/dbraw/zinc/07/36/66/160073666.db2.gz IPHRYOWONWOAOD-XQQFMLRXSA-N 0 0 318.439 0.588 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@@H](c3ccco3)C2)N(C(C)=O)C1 ZINC000408275155 160074466 /nfs/dbraw/zinc/07/44/66/160074466.db2.gz VJVSZZJZPPMXOF-GZBFAFLISA-N 0 0 322.361 0.815 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(=O)[nH]1 ZINC000408278406 160075044 /nfs/dbraw/zinc/07/50/44/160075044.db2.gz UEIUKDIBNBOESY-SNVBAGLBSA-N 0 0 313.379 0.168 10 0 DCAERN O=C(c1cnn(-c2cccnc2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000408281950 160075693 /nfs/dbraw/zinc/07/56/93/160075693.db2.gz XTLRNVOSJFPRFH-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000408287444 160076790 /nfs/dbraw/zinc/07/67/90/160076790.db2.gz RBTIXQVXSJZQLK-ZYHUDNBSSA-N 0 0 305.382 0.718 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408300598 160079979 /nfs/dbraw/zinc/07/99/79/160079979.db2.gz YMVSUCILIXRPPQ-MRXNPFEDSA-N 0 0 323.393 0.738 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000408300340 160080018 /nfs/dbraw/zinc/08/00/18/160080018.db2.gz YNOIJIFTVRNJRQ-NXEZZACHSA-N 0 0 300.384 0.178 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000408301095 160080180 /nfs/dbraw/zinc/08/01/80/160080180.db2.gz NXNGKEDUQJWOPU-IINYFYTJSA-N 0 0 309.391 0.630 10 0 DCAERN O=C(N[C@H]1CC[S@](=O)C1)N1CCN(Cc2ccco2)CC1 ZINC000408306474 160081627 /nfs/dbraw/zinc/08/16/27/160081627.db2.gz ACUPGFZBBFDPIE-QKVFXAPYSA-N 0 0 311.407 0.628 10 0 DCAERN COc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)nn1C ZINC000408309597 160082386 /nfs/dbraw/zinc/08/23/86/160082386.db2.gz NEUSNBKXCKELKV-GFCCVEGCSA-N 0 0 320.393 0.903 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000408319043 160084144 /nfs/dbraw/zinc/08/41/44/160084144.db2.gz FFEFGWCHPOZNPO-RYUDHWBXSA-N 0 0 302.440 0.513 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)C[C@H]1C ZINC000408318476 160084222 /nfs/dbraw/zinc/08/42/22/160084222.db2.gz ZMHIEUUTYPWWHZ-BDAKNGLRSA-N 0 0 304.334 0.265 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC12CCC2 ZINC000408339649 160088077 /nfs/dbraw/zinc/08/80/77/160088077.db2.gz QSAGTQNPPQSXRD-LLVKDONJSA-N 0 0 302.396 0.887 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408340009 160088106 /nfs/dbraw/zinc/08/81/06/160088106.db2.gz MWKXZHOOFPSRNN-SNVBAGLBSA-N 0 0 300.384 0.144 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(=O)[nH]c1=O ZINC000408349173 160089836 /nfs/dbraw/zinc/08/98/36/160089836.db2.gz GZAPEPLDJYCFHF-BMIGLBTASA-N 0 0 307.350 0.253 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000408363132 160092309 /nfs/dbraw/zinc/09/23/09/160092309.db2.gz UNXJGENBNYMQBX-CYBMUJFWSA-N 0 0 315.443 0.851 10 0 DCAERN CO[C@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@@H]1OC ZINC000408360343 160092507 /nfs/dbraw/zinc/09/25/07/160092507.db2.gz YZJQJGKHBQYZHI-STQMWFEESA-N 0 0 313.398 0.252 10 0 DCAERN CCN(C)S(=O)(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000408365435 160092952 /nfs/dbraw/zinc/09/29/52/160092952.db2.gz GYQCEFDGVDWRLQ-CYBMUJFWSA-N 0 0 305.444 0.226 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CCN1CCO ZINC000408366628 160093408 /nfs/dbraw/zinc/09/34/08/160093408.db2.gz MNEZEHBGHAHIRC-CYBMUJFWSA-N 0 0 319.471 0.494 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCO[C@H](CO)C2)C1 ZINC000408370292 160093849 /nfs/dbraw/zinc/09/38/49/160093849.db2.gz IZNZCMUQPUJRAS-STQMWFEESA-N 0 0 312.410 0.491 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000408372911 160094360 /nfs/dbraw/zinc/09/43/60/160094360.db2.gz CAPZRKVQUYXGAF-BDAKNGLRSA-N 0 0 318.420 0.547 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000408372914 160094687 /nfs/dbraw/zinc/09/46/87/160094687.db2.gz CAPZRKVQUYXGAF-RKDXNWHRSA-N 0 0 318.420 0.547 10 0 DCAERN CNS(=O)(=O)NC1CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000408380216 160095907 /nfs/dbraw/zinc/09/59/07/160095907.db2.gz VMTYBWDQWARXJD-NSHDSACASA-N 0 0 313.427 0.364 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000408382978 160096803 /nfs/dbraw/zinc/09/68/03/160096803.db2.gz GDICJCBRWXNKCC-MRVPVSSYSA-N 0 0 316.774 0.478 10 0 DCAERN Cn1cc([C@@H]2CN(S(=O)(=O)C[C@@H]3CCOC3)CCO2)cn1 ZINC000408391216 160098410 /nfs/dbraw/zinc/09/84/10/160098410.db2.gz BFBZFJWRVINFRE-YPMHNXCESA-N 0 0 315.395 0.160 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1(O)CCSC1 ZINC000408404227 160101202 /nfs/dbraw/zinc/10/12/02/160101202.db2.gz FTPAHOKFXYILHX-GWCFXTLKSA-N 0 0 311.411 0.589 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408411438 160102499 /nfs/dbraw/zinc/10/24/99/160102499.db2.gz HMNVQUOXLUQPSR-KKOKHZNYSA-N 0 0 304.412 0.244 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CO[C@H](C)C1 ZINC000408419612 160104233 /nfs/dbraw/zinc/10/42/33/160104233.db2.gz MLRGVFUOYYXHJM-PWSUYJOCSA-N 0 0 324.402 0.909 10 0 DCAERN O=C([C@H]1CCCN(c2nccn3cnnc23)C1)N1CCCC1 ZINC000408422199 160105110 /nfs/dbraw/zinc/10/51/10/160105110.db2.gz POIWLXVNMBIVMN-LBPRGKRZSA-N 0 0 300.366 0.963 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CC(C)(C)OC(C)(C)C2)n1C ZINC000408427501 160105884 /nfs/dbraw/zinc/10/58/84/160105884.db2.gz OZRYDPLAPKLDKQ-UHFFFAOYSA-N 0 0 323.441 0.971 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000408432164 160107013 /nfs/dbraw/zinc/10/70/13/160107013.db2.gz DPIVVRBULJFPPR-LBPRGKRZSA-N 0 0 313.427 0.961 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408435731 160107507 /nfs/dbraw/zinc/10/75/07/160107507.db2.gz PGTLCCWKBGSYNE-GMTAPVOTSA-N 0 0 312.457 0.044 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408435733 160107542 /nfs/dbraw/zinc/10/75/42/160107542.db2.gz PGTLCCWKBGSYNE-HBNTYKKESA-N 0 0 312.457 0.044 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCCO1 ZINC000408440851 160108611 /nfs/dbraw/zinc/10/86/11/160108611.db2.gz BHNGXRNWUOYUPM-DGCLKSJQSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000408443512 160109324 /nfs/dbraw/zinc/10/93/24/160109324.db2.gz QBZNZBBUCZSOJK-BLLLJJGKSA-N 0 0 320.393 0.909 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408449628 160110318 /nfs/dbraw/zinc/11/03/18/160110318.db2.gz DHUNFOBTDFMUMG-CZUORRHYSA-N 0 0 309.410 0.496 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(C)s1 ZINC000408454241 160111765 /nfs/dbraw/zinc/11/17/65/160111765.db2.gz UWBANWNPVJGPGH-CYBMUJFWSA-N 0 0 308.363 0.574 10 0 DCAERN O=S(=O)(NC1CCCC1)C1CN(c2ccc3nncn3n2)C1 ZINC000408456847 160112912 /nfs/dbraw/zinc/11/29/12/160112912.db2.gz LUIFPDONQKJPJJ-UHFFFAOYSA-N 0 0 322.394 0.175 10 0 DCAERN C[C@@H]1NC(=O)N(CCN2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000408464396 160113526 /nfs/dbraw/zinc/11/35/26/160113526.db2.gz GCFMOASQIFRWFZ-KWQFWETISA-N 0 0 309.288 0.316 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000408467044 160114378 /nfs/dbraw/zinc/11/43/78/160114378.db2.gz KFZYJIADHYBZJV-TUAOUCFPSA-N 0 0 311.407 0.720 10 0 DCAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000246413451 286884670 /nfs/dbraw/zinc/88/46/70/286884670.db2.gz VAQRYNJPMJGFRK-OFBDQPAMSA-N 0 0 312.410 0.983 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)NCc2ccnn2C)C1=O ZINC000047457168 286887656 /nfs/dbraw/zinc/88/76/56/286887656.db2.gz SCAQBWXINJYWEK-UHFFFAOYSA-N 0 0 307.354 0.147 10 0 DCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120911673 286953344 /nfs/dbraw/zinc/95/33/44/286953344.db2.gz PWGYODPUAINYID-LBPRGKRZSA-N 0 0 322.409 0.931 10 0 DCAERN CC(C)[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000123206889 286959702 /nfs/dbraw/zinc/95/97/02/286959702.db2.gz ZADUYOAKYYLHQX-NSHDSACASA-N 0 0 314.411 0.704 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCN1CC(F)F ZINC000125778507 286967930 /nfs/dbraw/zinc/96/79/30/286967930.db2.gz MYZOMHHFGUEDBK-GHMZBOCLSA-N 0 0 303.353 0.701 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132266382 287004633 /nfs/dbraw/zinc/00/46/33/287004633.db2.gz JFGAIODYFMVJNI-ZDUSSCGKSA-N 0 0 322.409 0.836 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H](C)Oc2cccc(CO)c2)C1 ZINC000132568259 287005986 /nfs/dbraw/zinc/00/59/86/287005986.db2.gz MJZCQLBNKLESKE-NSHDSACASA-N 0 0 306.362 0.541 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC(=O)Nc2ccccc21 ZINC000408191844 304448595 /nfs/dbraw/zinc/44/85/95/304448595.db2.gz JYWFFFYAXYNNRW-JTQLQIEISA-N 0 0 308.359 0.797 10 0 DCAERN CSCCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000134505141 287016744 /nfs/dbraw/zinc/01/67/44/287016744.db2.gz ULAAGEGXKCGZSZ-UHFFFAOYSA-N 0 0 313.467 0.896 10 0 DCAERN COC[C@@H](O)CCNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000133925903 287014341 /nfs/dbraw/zinc/01/43/41/287014341.db2.gz HBBHAQILYVQOCJ-GWCFXTLKSA-N 0 0 312.414 0.665 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000135738384 287024319 /nfs/dbraw/zinc/02/43/19/287024319.db2.gz WTHYRYCTCCOLDY-GXTWGEPZSA-N 0 0 318.439 0.325 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135512649 287022905 /nfs/dbraw/zinc/02/29/05/287022905.db2.gz OMAVRLFHRCUMDB-DGCLKSJQSA-N 0 0 301.412 0.676 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000135609974 287023642 /nfs/dbraw/zinc/02/36/42/287023642.db2.gz OPZVHAQEALSGPB-CHWSQXEVSA-N 0 0 306.428 0.148 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)C(=O)N[C@H](C)CC ZINC000152109816 287038575 /nfs/dbraw/zinc/03/85/75/287038575.db2.gz MOGSIUZVTVNGKC-GHMZBOCLSA-N 0 0 323.397 0.651 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000152223204 287039854 /nfs/dbraw/zinc/03/98/54/287039854.db2.gz GMBCVRLMNWLGFU-LBPRGKRZSA-N 0 0 313.317 0.111 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510990 287042119 /nfs/dbraw/zinc/04/21/19/287042119.db2.gz QBWDNAIJDIDTLQ-STQMWFEESA-N 0 0 317.455 0.259 10 0 DCAERN Cn1cc(NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)cn1 ZINC000153129716 287047118 /nfs/dbraw/zinc/04/71/18/287047118.db2.gz ZABARSWTLWIAGH-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(CC(N)=O)C(C)C)cc1C ZINC000192573552 287059173 /nfs/dbraw/zinc/05/91/73/287059173.db2.gz DAXXEKNELSSZOT-UHFFFAOYSA-N 0 0 305.378 0.756 10 0 DCAERN C[C@@H]1CC(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000245722230 287072463 /nfs/dbraw/zinc/07/24/63/287072463.db2.gz UXFAKMMCUJXINX-WYUUTHIRSA-N 0 0 306.428 0.886 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245725734 287072686 /nfs/dbraw/zinc/07/26/86/287072686.db2.gz DSDINPBMYNYUEV-CLLJXQQHSA-N 0 0 318.439 0.684 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246094590 287076501 /nfs/dbraw/zinc/07/65/01/287076501.db2.gz KRUGCAFLNGHIEP-UWVGGRQHSA-N 0 0 317.411 0.367 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)[C@H](C)CO1 ZINC000246126172 287077337 /nfs/dbraw/zinc/07/73/37/287077337.db2.gz LUPMBCKOZCJMDT-MXWKQRLJSA-N 0 0 315.399 0.057 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cscn2)[C@@H](C)CO1 ZINC000246124366 287077342 /nfs/dbraw/zinc/07/73/42/287077342.db2.gz JFCJMWSPGNVAQG-VHSXEESVSA-N 0 0 305.425 0.929 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@H]2C)C1 ZINC000246397081 287082653 /nfs/dbraw/zinc/08/26/53/287082653.db2.gz KQNJRNSKXIJYSZ-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN CC(C)(C)OC[C@@H](O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000246420385 287083087 /nfs/dbraw/zinc/08/30/87/287083087.db2.gz BZZZXGSODOWHGE-STQMWFEESA-N 0 0 305.440 0.814 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246902984 287088968 /nfs/dbraw/zinc/08/89/68/287088968.db2.gz FSEGKTNWRAQVBR-KBPBESRZSA-N 0 0 319.405 0.847 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246916419 287089116 /nfs/dbraw/zinc/08/91/16/287089116.db2.gz BDMPVQJNZXNXKQ-UTUOFQBUSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246906235 287089120 /nfs/dbraw/zinc/08/91/20/287089120.db2.gz AQJKQRBJMSICGF-GRYCIOLGSA-N 0 0 303.428 0.898 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247388491 287093221 /nfs/dbraw/zinc/09/32/21/287093221.db2.gz WUHYLIVYGHDCFV-HUUCEWRRSA-N 0 0 324.425 0.434 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000246963609 287089603 /nfs/dbraw/zinc/08/96/03/287089603.db2.gz ISGHLUOTGMKNFN-RYUDHWBXSA-N 0 0 323.368 0.678 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 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/nfs/dbraw/zinc/12/03/32/287120332.db2.gz XIJSCJYVHHEHDU-VXGBXAGGSA-N 0 0 300.399 0.801 10 0 DCAERN O=C(C/C=C\c1cccc(F)c1)NCCN1C(=O)CNC1=O ZINC000255903500 287127205 /nfs/dbraw/zinc/12/72/05/287127205.db2.gz FRJJMXFNYUFPDC-RQOWECAXSA-N 0 0 305.309 0.897 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)CC1=O ZINC000334066783 287148010 /nfs/dbraw/zinc/14/80/10/287148010.db2.gz DNHDPIQQZAREHG-RYUDHWBXSA-N 0 0 306.370 0.073 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)c2cc(C)cnc2N)CC1 ZINC000347057531 287159248 /nfs/dbraw/zinc/15/92/48/287159248.db2.gz RXEKHRGUBNXNSV-UHFFFAOYSA-N 0 0 312.395 0.261 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](C2CC2)N2CCCC2)CCS1(=O)=O ZINC000127247673 296888180 /nfs/dbraw/zinc/88/81/80/296888180.db2.gz ZAWFCCQGGVZOHV-YPMHNXCESA-N 0 0 300.424 0.506 10 0 DCAERN CCNC(=O)C1(CNS(=O)(=O)N2CCC[C@@H](C)C2)CCC1 ZINC000408355348 287233820 /nfs/dbraw/zinc/23/38/20/287233820.db2.gz RQKPTYWBXCUNRO-GFCCVEGCSA-N 0 0 317.455 0.859 10 0 DCAERN COc1cc(=NC(=O)c2cnn(C)c2Br)[nH]n1C ZINC000379143273 685234866 /nfs/dbraw/zinc/23/48/66/685234866.db2.gz BOXCTIJVPBKOLR-UHFFFAOYSA-N 0 0 314.143 0.599 10 0 DCAERN O=S(=O)(NCC[C@H]1CNc2ccccc21)N1CCOCC1 ZINC000021501643 415153293 /nfs/dbraw/zinc/15/32/93/415153293.db2.gz PZUQOTCMBGPNPT-LBPRGKRZSA-N 0 0 311.407 0.752 10 0 DCAERN C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCCO1 ZINC000027905123 415173193 /nfs/dbraw/zinc/17/31/93/415173193.db2.gz SMHNJYYEXWCJOC-PSASIEDQSA-N 0 0 318.420 0.622 10 0 DCAERN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1nncs1 ZINC000047161007 415267219 /nfs/dbraw/zinc/26/72/19/415267219.db2.gz YHIRBKACXQVFDV-UHFFFAOYSA-N 0 0 323.382 0.444 10 0 DCAERN COc1ccccc1NC(=O)CS(=O)(=O)c1nccn1C ZINC000047943675 415282131 /nfs/dbraw/zinc/28/21/31/415282131.db2.gz YQMOGADPMOAACZ-UHFFFAOYSA-N 0 0 309.347 0.841 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000051996777 415319830 /nfs/dbraw/zinc/31/98/30/415319830.db2.gz PKSROCHHXCQHHJ-WOPDTQHZSA-N 0 0 304.412 0.220 10 0 DCAERN NC(=O)NCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000060398965 415341231 /nfs/dbraw/zinc/34/12/31/415341231.db2.gz MFTULMZPXUQDTN-UHFFFAOYSA-N 0 0 312.757 0.843 10 0 DCAERN COC(=O)CCN1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000069194605 415399783 /nfs/dbraw/zinc/39/97/83/415399783.db2.gz WDOGLUHDXMXARA-HNNXBMFYSA-N 0 0 322.405 0.607 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC000070303096 415406585 /nfs/dbraw/zinc/40/65/85/415406585.db2.gz SCZIRULEMDYCDU-GFCCVEGCSA-N 0 0 313.375 0.548 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000069900601 415406743 /nfs/dbraw/zinc/40/67/43/415406743.db2.gz ABFGLJLAWRGOHC-ZDUSSCGKSA-N 0 0 311.451 0.852 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000067201408 415373718 /nfs/dbraw/zinc/37/37/18/415373718.db2.gz SUXGDFWLHQUENE-KBPBESRZSA-N 0 0 317.389 0.280 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000275584803 415375803 /nfs/dbraw/zinc/37/58/03/415375803.db2.gz HBWOEJLOCJPQNP-CYBMUJFWSA-N 0 0 324.352 0.612 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081085014 415483046 /nfs/dbraw/zinc/48/30/46/415483046.db2.gz ZWCUKISTVIGAKL-ZYHUDNBSSA-N 0 0 312.332 0.917 10 0 DCAERN CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332846568 415490843 /nfs/dbraw/zinc/49/08/43/415490843.db2.gz OOSQVJNYLZDMCP-BPLDGKMQSA-N 0 0 309.410 0.082 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000075437880 415446093 /nfs/dbraw/zinc/44/60/93/415446093.db2.gz OSDVNWXNGSDPEJ-WPRPVWTQSA-N 0 0 316.427 0.022 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCCC2(C)C)CC1 ZINC000077644588 415462933 /nfs/dbraw/zinc/46/29/33/415462933.db2.gz LWNHTBCTSMOTSY-UHFFFAOYSA-N 0 0 324.425 0.651 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@H]21 ZINC000332754408 415467283 /nfs/dbraw/zinc/46/72/83/415467283.db2.gz FMKVMOINSCYWQJ-OLZOCXBDSA-N 0 0 323.418 0.409 10 0 DCAERN CCNC(=O)c1ccc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000332773453 415469324 /nfs/dbraw/zinc/46/93/24/415469324.db2.gz VNSCVUZMZAACEF-UONOGXRCSA-N 0 0 304.394 0.741 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)O1 ZINC000332768503 415469870 /nfs/dbraw/zinc/46/98/70/415469870.db2.gz KAVSUCLMLODVCO-UZWIWUQPSA-N 0 0 306.366 0.376 10 0 DCAERN CC(C)[N@H+]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)[C@@H](C)C1 ZINC000332788167 415476947 /nfs/dbraw/zinc/47/69/47/415476947.db2.gz IUZFBJAKIGZIFR-FQUUOJAGSA-N 0 0 323.441 0.523 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000333028323 415537067 /nfs/dbraw/zinc/53/70/67/415537067.db2.gz BPKCJDYBQPDRBT-RFQIPJPRSA-N 0 0 318.439 0.699 10 0 DCAERN CC[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)C(=O)N1CCOCC1 ZINC000092426246 415537880 /nfs/dbraw/zinc/53/78/80/415537880.db2.gz OULCGXDLQHBFFZ-BZPMIXESSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@H]1CC(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000093908910 415547627 /nfs/dbraw/zinc/54/76/27/415547627.db2.gz PVMVBTXTKYHHPI-QWRGUYRKSA-N 0 0 304.412 0.294 10 0 DCAERN 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HZZJYNPKXXFWGW-ZDUSSCGKSA-N 0 0 311.407 0.927 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC(=O)N1C ZINC000282322940 415579960 /nfs/dbraw/zinc/57/99/60/415579960.db2.gz JXPCAZRGUIKGKI-LLVKDONJSA-N 0 0 315.373 0.898 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333216535 415586044 /nfs/dbraw/zinc/58/60/44/415586044.db2.gz VPNNIERCGBYNON-RHYQMDGZSA-N 0 0 322.452 0.258 10 0 DCAERN CCCN1C[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1=O ZINC000333512398 415670372 /nfs/dbraw/zinc/67/03/72/415670372.db2.gz JGJYHMUXJCXCPF-GRYCIOLGSA-N 0 0 304.412 0.342 10 0 DCAERN COC1(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCC1 ZINC000333565652 415685730 /nfs/dbraw/zinc/68/57/30/415685730.db2.gz XEVUMUHYKHOHBI-NSHDSACASA-N 0 0 304.412 0.774 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(=O)C2CC2)C1 ZINC000333571372 415688368 /nfs/dbraw/zinc/68/83/68/415688368.db2.gz RZWMOEHYGOGELE-SNVBAGLBSA-N 0 0 310.398 0.511 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1COC[C@@H]1OC ZINC000333714753 415722309 /nfs/dbraw/zinc/72/23/09/415722309.db2.gz HAYCZWOLGYSRNG-USZNOCQGSA-N 0 0 316.423 0.464 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)CNC(C)=O)CC1 ZINC000115126733 415725376 /nfs/dbraw/zinc/72/53/76/415725376.db2.gz LOESSTOXGMNFCP-UHFFFAOYSA-N 0 0 309.341 0.619 10 0 DCAERN Cc1cnn(CCNC(=O)CCNC(=O)OCC(F)(F)F)c1 ZINC000117815864 415732243 /nfs/dbraw/zinc/73/22/43/415732243.db2.gz XWTVFMQXBBGTAU-UHFFFAOYSA-N 0 0 322.287 0.986 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333654489 415706132 /nfs/dbraw/zinc/70/61/32/415706132.db2.gz WHMWBGGAAHZCMX-JTQLQIEISA-N 0 0 308.386 0.802 10 0 DCAERN CC(=O)NCCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112194097 415707976 /nfs/dbraw/zinc/70/79/76/415707976.db2.gz FJQFFZYHEWBQJB-UHFFFAOYSA-N 0 0 307.379 0.800 10 0 DCAERN C[C@@](O)(CO)CNc1ncc(I)cn1 ZINC000124414815 415850871 /nfs/dbraw/zinc/85/08/71/415850871.db2.gz MOXAPHGEYDNYHQ-QMMMGPOBSA-N 0 0 309.107 0.236 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121395288 415803426 /nfs/dbraw/zinc/80/34/26/415803426.db2.gz FGZFCVQPYUGZDT-FZMZJTMJSA-N 0 0 318.439 0.468 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCNC(=O)c2cccs2)C1 ZINC000121494750 415804713 /nfs/dbraw/zinc/80/47/13/415804713.db2.gz AJMRXTXWXOOGNH-UHFFFAOYSA-N 0 0 309.391 0.463 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121753701 415818107 /nfs/dbraw/zinc/81/81/07/415818107.db2.gz TVPKYIRPPAXNMM-JSGCOSHPSA-N 0 0 303.424 0.963 10 0 DCAERN CN(CC(=O)NCCCN1CCCC1=O)C(=O)c1cccs1 ZINC000126655381 415876919 /nfs/dbraw/zinc/87/69/19/415876919.db2.gz STIRGTVBFQBJDL-UHFFFAOYSA-N 0 0 323.418 0.949 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1 ZINC000126582485 415877427 /nfs/dbraw/zinc/87/74/27/415877427.db2.gz YFKDQKYIQNFURK-LBPRGKRZSA-N 0 0 324.425 0.555 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccnn1C ZINC000129733964 415911263 /nfs/dbraw/zinc/91/12/63/415911263.db2.gz UTWRDZJEEXLCQZ-QMMMGPOBSA-N 0 0 307.383 0.539 10 0 DCAERN CCS(=O)(=O)NCC(=O)N(C)CCc1ccccc1OC ZINC000130013814 415914668 /nfs/dbraw/zinc/91/46/68/415914668.db2.gz KBTSGNLKEBFXKS-UHFFFAOYSA-N 0 0 314.407 0.635 10 0 DCAERN C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000336898935 415854227 /nfs/dbraw/zinc/85/42/27/415854227.db2.gz QROFIJOASZKJKD-WUHRBBMRSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)(C)NC(=O)CS(=O)(=O)c1nnc2n1CCCCC2 ZINC000125347564 415865825 /nfs/dbraw/zinc/86/58/25/415865825.db2.gz HCFDCAHBJZWTLU-UHFFFAOYSA-N 0 0 314.411 0.693 10 0 DCAERN Cc1nc(C)c(CCC(=O)Nc2ccc(C(N)=O)nc2)c(=O)[nH]1 ZINC000133212975 415943074 /nfs/dbraw/zinc/94/30/74/415943074.db2.gz HQTSWVFSZYHJJX-UHFFFAOYSA-N 0 0 315.333 0.452 10 0 DCAERN Cc1c(Cl)cccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133779781 415950800 /nfs/dbraw/zinc/95/08/00/415950800.db2.gz CMOSAKNUMLVNCP-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000151625890 415965911 /nfs/dbraw/zinc/96/59/11/415965911.db2.gz OKZBDOVXUOJFIB-LLVKDONJSA-N 0 0 314.411 0.705 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000152682786 415969335 /nfs/dbraw/zinc/96/93/35/415969335.db2.gz SFZYYFOKOJKVFO-BXKDBHETSA-N 0 0 309.391 0.558 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000152850981 415971535 /nfs/dbraw/zinc/97/15/35/415971535.db2.gz RGVFFNQILIBRDW-TZMCWYRMSA-N 0 0 303.362 0.885 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000153100631 415974772 /nfs/dbraw/zinc/97/47/72/415974772.db2.gz WCMZBHIYTLNRQY-ZBFHGGJFSA-N 0 0 322.405 0.089 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153291268 415979706 /nfs/dbraw/zinc/97/97/06/415979706.db2.gz XZRUDXBLXMWAGQ-CHWSQXEVSA-N 0 0 303.362 0.081 10 0 DCAERN COC(=O)CCNC(=O)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158608932 416001925 /nfs/dbraw/zinc/00/19/25/416001925.db2.gz INOWJALESZUNOT-CYBMUJFWSA-N 0 0 310.350 0.641 10 0 DCAERN CCS(=O)(=O)CC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000153938735 415988785 /nfs/dbraw/zinc/98/87/85/415988785.db2.gz SJXFZNOYNKRWOZ-UHFFFAOYSA-N 0 0 313.301 0.490 10 0 DCAERN CN(C(=O)[C@H]1CCC[C@H]1C(=O)N(C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000155214447 415995474 /nfs/dbraw/zinc/99/54/74/415995474.db2.gz GYOAQMHXCFQOKF-PYHGIMPFSA-N 0 0 324.421 0.897 10 0 DCAERN C[C@@H]1OCCN(Cc2ccc(-n3ccnc3)cc2)[C@@H]1C(N)=O ZINC000344864971 415998586 /nfs/dbraw/zinc/99/85/86/415998586.db2.gz MLZXQTSGDOTDNC-WFASDCNBSA-N 0 0 300.362 0.947 10 0 DCAERN COC[C@@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000171973166 416042533 /nfs/dbraw/zinc/04/25/33/416042533.db2.gz JBVWAFKFOLQYOO-ZFWWWQNUSA-N 0 0 313.442 0.059 10 0 DCAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NC3CCCC3)C2)cn1 ZINC000172056599 416043263 /nfs/dbraw/zinc/04/32/63/416043263.db2.gz QJCRPELEXAIZIL-LBPRGKRZSA-N 0 0 319.409 0.978 10 0 DCAERN Cc1ccc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cn1 ZINC000172379142 416046253 /nfs/dbraw/zinc/04/62/53/416046253.db2.gz ARRPDIZPPCKYFL-GFCCVEGCSA-N 0 0 311.407 0.761 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000172559720 416047745 /nfs/dbraw/zinc/04/77/45/416047745.db2.gz ABFBVQRJULNSHT-SNVBAGLBSA-N 0 0 321.358 0.996 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)Cc1nc2ncccn2n1 ZINC000173028329 416051252 /nfs/dbraw/zinc/05/12/52/416051252.db2.gz GOVMPATWHIRNSE-UHFFFAOYSA-N 0 0 313.365 0.836 10 0 DCAERN COCCS(=O)(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173209545 416054003 /nfs/dbraw/zinc/05/40/03/416054003.db2.gz LLXIVUWRZQSIJF-UHFFFAOYSA-N 0 0 313.423 0.925 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000173176539 416054539 /nfs/dbraw/zinc/05/45/39/416054539.db2.gz QEYRCSPURUXTMJ-NSHDSACASA-N 0 0 309.341 0.519 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173330155 416057737 /nfs/dbraw/zinc/05/77/37/416057737.db2.gz DZVCWGMSQCJQDI-KFWWJZLASA-N 0 0 324.421 0.899 10 0 DCAERN Cc1cc(NC(=O)CCN2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000173660304 416061825 /nfs/dbraw/zinc/06/18/25/416061825.db2.gz IUYFIEVNPJZMCN-LLVKDONJSA-N 0 0 320.353 0.812 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173568922 416062516 /nfs/dbraw/zinc/06/25/16/416062516.db2.gz GFYHXFKKPANKJB-NSHDSACASA-N 0 0 323.397 0.573 10 0 DCAERN Cc1nnc([C@@H]2CN(CCC(=O)NC3CCCC3)CCO2)[nH]1 ZINC000173673035 416063268 /nfs/dbraw/zinc/06/32/68/416063268.db2.gz GEQSBARQEGPSPU-ZDUSSCGKSA-N 0 0 307.398 0.935 10 0 DCAERN CCc1nc(C2(NCC(=O)N3CCOCC3)CCCC2)no1 ZINC000173695730 416063662 /nfs/dbraw/zinc/06/36/62/416063662.db2.gz MLHUSHRCRGEDQC-UHFFFAOYSA-N 0 0 308.382 0.850 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173872592 416067108 /nfs/dbraw/zinc/06/71/08/416067108.db2.gz IBOBGBQFQLJNKC-HUUCEWRRSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173892578 416067223 /nfs/dbraw/zinc/06/72/23/416067223.db2.gz RDKPZSYOPMLKNK-CQSZACIVSA-N 0 0 307.398 0.308 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)N2CCN(C3CC3)CC2)n1 ZINC000173935155 416069546 /nfs/dbraw/zinc/06/95/46/416069546.db2.gz QPGFSGRUAMPAHI-UHFFFAOYSA-N 0 0 306.414 0.757 10 0 DCAERN CCOC(=O)CCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173929764 416070630 /nfs/dbraw/zinc/07/06/30/416070630.db2.gz FMOVQEAUHLPDMS-LBPRGKRZSA-N 0 0 309.370 0.968 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000300160065 416073120 /nfs/dbraw/zinc/07/31/20/416073120.db2.gz DITBSWOOVLIHFI-QCNOEVLYSA-N 0 0 305.396 0.815 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000357390257 416073373 /nfs/dbraw/zinc/07/33/73/416073373.db2.gz JFXJRPOAIFDVCN-WDEREUQCSA-N 0 0 320.315 0.860 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174192220 416074318 /nfs/dbraw/zinc/07/43/18/416074318.db2.gz AIBBFRIHOJWPRY-NSHDSACASA-N 0 0 304.358 0.252 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000174338950 416075821 /nfs/dbraw/zinc/07/58/21/416075821.db2.gz SPWVFADONZCGOA-CYBMUJFWSA-N 0 0 322.413 0.120 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc2ccccn21 ZINC000159113541 416006835 /nfs/dbraw/zinc/00/68/35/416006835.db2.gz GXNIMSGTNYWDHT-SNVBAGLBSA-N 0 0 305.363 0.267 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000337764942 416007543 /nfs/dbraw/zinc/00/75/43/416007543.db2.gz GLWFHOPQOSQKIZ-KWQFWETISA-N 0 0 317.349 0.374 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@H](C)NC3=S)C2=O)n(C)n1 ZINC000174448023 416078536 /nfs/dbraw/zinc/07/85/36/416078536.db2.gz XJXPUVQECMOSLV-VHSXEESVSA-N 0 0 321.406 0.329 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163732237 416015590 /nfs/dbraw/zinc/01/55/90/416015590.db2.gz CKUYPQPXCBKNCH-JTQLQIEISA-N 0 0 301.350 0.655 10 0 DCAERN NS(=O)(=O)CC1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000357424808 416078771 /nfs/dbraw/zinc/07/87/71/416078771.db2.gz ANOPSIFNRWDEHI-UHFFFAOYSA-N 0 0 312.391 0.462 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CCO[C@@H](CO)C1 ZINC000167908542 416024240 /nfs/dbraw/zinc/02/42/40/416024240.db2.gz HNYSQGGLOQDDPE-SECBINFHSA-N 0 0 301.140 0.677 10 0 DCAERN C[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)[N@H+](C)Cc1ccccc1 ZINC000357043238 416025248 /nfs/dbraw/zinc/02/52/48/416025248.db2.gz HHLRABLTVMSSDO-NSHDSACASA-N 0 0 300.366 0.826 10 0 DCAERN O=C(CCc1nc2ccccc2oc1=O)NCCCOCCO ZINC000357051494 416027121 /nfs/dbraw/zinc/02/71/21/416027121.db2.gz JNCIXIPTJJLXKV-UHFFFAOYSA-N 0 0 320.345 0.636 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)NCC(=O)NC1CCCCC1 ZINC000357091115 416032059 /nfs/dbraw/zinc/03/20/59/416032059.db2.gz WGSPBIPONTZXII-UHFFFAOYSA-N 0 0 318.377 0.894 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nonc1C ZINC000170800275 416032424 /nfs/dbraw/zinc/03/24/24/416032424.db2.gz SSNFPEKYUIBOAC-VIFPVBQESA-N 0 0 302.356 0.521 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000171297618 416037650 /nfs/dbraw/zinc/03/76/50/416037650.db2.gz IEHVUPIPHJMAIU-UHFFFAOYSA-N 0 0 309.351 0.350 10 0 DCAERN Cn1cc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000174649515 416084124 /nfs/dbraw/zinc/08/41/24/416084124.db2.gz BQDFZARNKRIHCC-NSHDSACASA-N 0 0 303.370 0.944 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CCC[C@@H]([C@H](C)O)C1 ZINC000301798082 416091410 /nfs/dbraw/zinc/09/14/10/416091410.db2.gz VBLUDTPJCBLMLY-WDEREUQCSA-N 0 0 319.365 0.597 10 0 DCAERN CCCNC(=O)c1ccc(NC[C@H]2CN3CCN2CC3)nc1 ZINC000301786249 416091773 /nfs/dbraw/zinc/09/17/73/416091773.db2.gz PNDUYKLZAAKXFD-AWEZNQCLSA-N 0 0 303.410 0.633 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccnn3C)C2=O)n(C)n1 ZINC000174991921 416091833 /nfs/dbraw/zinc/09/18/33/416091833.db2.gz JUUAZIZNRSQHJL-LLVKDONJSA-N 0 0 316.365 0.387 10 0 DCAERN CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991242 416092545 /nfs/dbraw/zinc/09/25/45/416092545.db2.gz OWSIFVSWLGFYKY-NWDGAFQWSA-N 0 0 308.382 0.765 10 0 DCAERN COC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175005878 416093514 /nfs/dbraw/zinc/09/35/14/416093514.db2.gz PZHCTXYRNQTWLA-NSHDSACASA-N 0 0 308.382 0.765 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@H]2CN2CCOCC2)c1 ZINC000175039366 416094849 /nfs/dbraw/zinc/09/48/49/416094849.db2.gz WXYNWSWTUAZQRV-HNNXBMFYSA-N 0 0 321.425 0.698 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000175005561 416094935 /nfs/dbraw/zinc/09/49/35/416094935.db2.gz ABGDHFFIIYONCT-LBPRGKRZSA-N 0 0 305.382 0.382 10 0 DCAERN COC[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 ZINC000302545388 416097375 /nfs/dbraw/zinc/09/73/75/416097375.db2.gz ISJZTTSBFAZODC-GHMZBOCLSA-N 0 0 310.375 0.871 10 0 DCAERN COc1c(=O)[nH]c(=O)[nH]c1C(=O)NCC(=O)NC1CCCCC1 ZINC000357587165 416100048 /nfs/dbraw/zinc/10/00/48/416100048.db2.gz USFMUZCEENODOV-UHFFFAOYSA-N 0 0 324.337 0.075 10 0 DCAERN CCc1nnc([C@H]2CN(c3nc(CCOC)ns3)CCO2)[nH]1 ZINC000302827876 416101999 /nfs/dbraw/zinc/10/19/99/416101999.db2.gz NUIDDDVYIGLSQI-SECBINFHSA-N 0 0 324.410 0.985 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)NCCCn3cccn3)CCO2)[nH]1 ZINC000175357548 416104076 /nfs/dbraw/zinc/10/40/76/416104076.db2.gz GWVROWXLCCBIJG-LBPRGKRZSA-N 0 0 319.369 0.483 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)CC(=O)NC(C)C)C2=O)n(C)n1 ZINC000175499130 416108043 /nfs/dbraw/zinc/10/80/43/416108043.db2.gz RSGACLWBOJKICU-GFCCVEGCSA-N 0 0 307.398 0.290 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@](O)(CO)C1 ZINC000313669885 416108716 /nfs/dbraw/zinc/10/87/16/416108716.db2.gz UVPQDVQXNYOMLP-CYBMUJFWSA-N 0 0 303.355 0.475 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1F ZINC000313654856 416109091 /nfs/dbraw/zinc/10/90/91/416109091.db2.gz JAKTUWJJCBESRP-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N(C)CC(=O)Nc2ccccc2)C1 ZINC000175541941 416109515 /nfs/dbraw/zinc/10/95/15/416109515.db2.gz HSVZNSXZYXAQSU-ZDUSSCGKSA-N 0 0 303.362 0.952 10 0 DCAERN COC[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000175543098 416109668 /nfs/dbraw/zinc/10/96/68/416109668.db2.gz SIVOCVZCIVUKIF-MNOVXSKESA-N 0 0 305.338 0.873 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000357651271 416111298 /nfs/dbraw/zinc/11/12/98/416111298.db2.gz LAQRYMYTAUNSGT-RYUDHWBXSA-N 0 0 310.398 0.260 10 0 DCAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)CCCF)CCO2)c1 ZINC000175571071 416111376 /nfs/dbraw/zinc/11/13/76/416111376.db2.gz PFYYWRGMHGRVSJ-LBPRGKRZSA-N 0 0 305.375 0.582 10 0 DCAERN CNC(=O)CCCC(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000357668234 416112389 /nfs/dbraw/zinc/11/23/89/416112389.db2.gz GKBNBKUZADRPOE-UHFFFAOYSA-N 0 0 302.338 0.645 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675876 416114273 /nfs/dbraw/zinc/11/42/73/416114273.db2.gz OKTINJIXARWGIA-CJNGLKHVSA-N 0 0 312.410 0.504 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@H](C)C1 ZINC000357943795 416157576 /nfs/dbraw/zinc/15/75/76/416157576.db2.gz VPLCWANUYSTFJO-TZMCWYRMSA-N 0 0 321.421 0.857 10 0 DCAERN NC(=O)[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCO1 ZINC000328655805 416125241 /nfs/dbraw/zinc/12/52/41/416125241.db2.gz YSHBRTKVFCOAQU-MNOVXSKESA-N 0 0 307.354 0.808 10 0 DCAERN COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176414119 416126225 /nfs/dbraw/zinc/12/62/25/416126225.db2.gz WCWSNGGCLAKHLE-LBPRGKRZSA-N 0 0 310.402 0.381 10 0 DCAERN CC1(C)CN(CCNC(=O)N[C@H]2CCCn3ncnc32)CCO1 ZINC000176476663 416128072 /nfs/dbraw/zinc/12/80/72/416128072.db2.gz QNQQBTBBYZTNLQ-LBPRGKRZSA-N 0 0 322.413 0.523 10 0 DCAERN COCCCOC1CN(C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC000176504718 416128367 /nfs/dbraw/zinc/12/83/67/416128367.db2.gz UUSSJDIIUAYZPR-UHFFFAOYSA-N 0 0 317.349 0.540 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cccnc2N(C)C)[C@H](C)C1 ZINC000357757007 416128418 /nfs/dbraw/zinc/12/84/18/416128418.db2.gz ATLGFZQQUCWHGB-GFCCVEGCSA-N 0 0 319.409 0.910 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176756356 416133630 /nfs/dbraw/zinc/13/36/30/416133630.db2.gz ZXMXLHGTXKHFHS-GFCCVEGCSA-N 0 0 315.373 0.604 10 0 DCAERN CNC(=O)C1(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000357796126 416133727 /nfs/dbraw/zinc/13/37/27/416133727.db2.gz MISVMMYFNHHDOZ-UHFFFAOYSA-N 0 0 301.350 0.304 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000328903374 416138978 /nfs/dbraw/zinc/13/89/78/416138978.db2.gz HUQUFXKFMJYFNE-SOUVJXGZSA-N 0 0 309.410 0.176 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)s1 ZINC000328950408 416141755 /nfs/dbraw/zinc/14/17/55/416141755.db2.gz LGXXGOOUDHNFJW-NXEZZACHSA-N 0 0 311.411 1.037 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177234659 416141932 /nfs/dbraw/zinc/14/19/32/416141932.db2.gz DDJBNFJSXIXZJS-RYUDHWBXSA-N 0 0 323.359 0.660 10 0 DCAERN CN(C(=O)CCc1nnc[nH]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177220589 416142715 /nfs/dbraw/zinc/14/27/15/416142715.db2.gz BQISOMUIMKJJBH-LBPRGKRZSA-N 0 0 315.381 0.655 10 0 DCAERN C[C@@H](SC[C@@H](O)CO)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177414872 416144672 /nfs/dbraw/zinc/14/46/72/416144672.db2.gz LRRBFFOSSOUKRI-HIFRSBDPSA-N 0 0 324.446 0.810 10 0 DCAERN O=C(CSC[C@@H](O)CO)N1CCC[C@@H](C(F)(F)F)C1 ZINC000177420884 416146467 /nfs/dbraw/zinc/14/64/67/416146467.db2.gz KBOCKPNSWACFDA-BDAKNGLRSA-N 0 0 301.330 0.874 10 0 DCAERN O=C(NCc1cccc(CO)c1)NC[C@@]1(CCO)CCOC1 ZINC000177622208 416147518 /nfs/dbraw/zinc/14/75/18/416147518.db2.gz YRJXBFITRZEPHE-MRXNPFEDSA-N 0 0 308.378 0.767 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2[nH]c(C)cc2C)CC1 ZINC000177563956 416148775 /nfs/dbraw/zinc/14/87/75/416148775.db2.gz CUWHFWLUJLVPEU-UHFFFAOYSA-N 0 0 320.393 0.442 10 0 DCAERN Cn1cc(N2CCN(C(=O)c3ncncc3Cl)CC2)cn1 ZINC000177686560 416149657 /nfs/dbraw/zinc/14/96/57/416149657.db2.gz FMMKVURYHFILSU-UHFFFAOYSA-N 0 0 306.757 0.826 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000357917760 416151465 /nfs/dbraw/zinc/15/14/65/416151465.db2.gz BCPXMUGVMXXQFY-STQMWFEESA-N 0 0 317.389 0.884 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)[C@H](C)C1 ZINC000357920733 416152731 /nfs/dbraw/zinc/15/27/31/416152731.db2.gz DJTQXNUKHWKFGW-LLVKDONJSA-N 0 0 323.418 0.947 10 0 DCAERN CC(=O)N1CCN(C(=O)CSc2nncs2)[C@@H](C)C1 ZINC000357919113 416153258 /nfs/dbraw/zinc/15/32/58/416153258.db2.gz CFDDUSJRAWJWQP-QMMMGPOBSA-N 0 0 300.409 0.709 10 0 DCAERN COC(=O)CCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000177935448 416154475 /nfs/dbraw/zinc/15/44/75/416154475.db2.gz STQHAZWEGZOKOS-SNVBAGLBSA-N 0 0 309.370 0.928 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178654980 416167890 /nfs/dbraw/zinc/16/78/90/416167890.db2.gz PNKPRMTVHGXLHD-OCCSQVGLSA-N 0 0 301.350 0.571 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178700004 416169514 /nfs/dbraw/zinc/16/95/14/416169514.db2.gz ANIYFVLVPMBTIN-ZBFHGGJFSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(C)C ZINC000178700069 416169601 /nfs/dbraw/zinc/16/96/01/416169601.db2.gz FBJAWDVNGPPDIC-MWLCHTKSSA-N 0 0 311.407 0.753 10 0 DCAERN Cc1nc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c(C)s1 ZINC000178797654 416172123 /nfs/dbraw/zinc/17/21/23/416172123.db2.gz IAKBMFQOCNEQDO-CQSZACIVSA-N 0 0 313.423 0.573 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CN3CCN2CC3)c1C ZINC000178970843 416179648 /nfs/dbraw/zinc/17/96/48/416179648.db2.gz QKDMUDZSHKCLFF-LBPRGKRZSA-N 0 0 320.393 0.148 10 0 DCAERN CC[C@@H](C)OCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179025465 416180684 /nfs/dbraw/zinc/18/06/84/416180684.db2.gz XRZYKMPDZIHJQV-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2c(c1)C(=O)NC2=O ZINC000179215432 416183993 /nfs/dbraw/zinc/18/39/93/416183993.db2.gz YFGFJQDMWOJFRZ-GXFFZTMASA-N 0 0 302.330 0.851 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000179561281 416190215 /nfs/dbraw/zinc/19/02/15/416190215.db2.gz JZAXBEARJGPKBJ-GFCCVEGCSA-N 0 0 316.379 0.427 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000179563149 416191126 /nfs/dbraw/zinc/19/11/26/416191126.db2.gz GTIQKVRNEVGPMB-VHSXEESVSA-N 0 0 304.412 0.360 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000179561079 416191166 /nfs/dbraw/zinc/19/11/66/416191166.db2.gz JYWUZCIGSWYPFA-CYBMUJFWSA-N 0 0 310.350 0.593 10 0 DCAERN COc1c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)nn1C ZINC000180113461 416194189 /nfs/dbraw/zinc/19/41/89/416194189.db2.gz CLQHUIUFIPCTPJ-LBPRGKRZSA-N 0 0 306.370 0.737 10 0 DCAERN CCc1cnccc1C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000180571930 416199959 /nfs/dbraw/zinc/19/99/59/416199959.db2.gz BFKDHRLNRXGGPJ-UHFFFAOYSA-N 0 0 302.338 0.576 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181342133 416205575 /nfs/dbraw/zinc/20/55/75/416205575.db2.gz LSYNRYLKPURXOV-YPMHNXCESA-N 0 0 321.425 0.444 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)cn1 ZINC000181413662 416208098 /nfs/dbraw/zinc/20/80/98/416208098.db2.gz MGLVTWXHDGDRPL-AWEZNQCLSA-N 0 0 314.393 0.668 10 0 DCAERN CCN(C(=O)NCCc1cn[nH]c1)[C@@H](C)CS(C)(=O)=O ZINC000358195319 416209095 /nfs/dbraw/zinc/20/90/95/416209095.db2.gz LOULOEBBXUXLHT-JTQLQIEISA-N 0 0 302.400 0.417 10 0 DCAERN O=C(CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)NCC1CC1 ZINC000182040578 416214579 /nfs/dbraw/zinc/21/45/79/416214579.db2.gz ADXJOHVDAYIORA-CJNGLKHVSA-N 0 0 309.410 0.849 10 0 DCAERN O=C(CCNC(=O)Cc1ccccc1)NC[C@@H](CO)C1CC1 ZINC000358305270 416221453 /nfs/dbraw/zinc/22/14/53/416221453.db2.gz LWAVFCGUYMITCY-HNNXBMFYSA-N 0 0 304.390 0.870 10 0 DCAERN COCc1nc(CN2CCCN(c3cccnn3)CC2)no1 ZINC000182439676 416222506 /nfs/dbraw/zinc/22/25/06/416222506.db2.gz IXZAMDQDOWSSRV-UHFFFAOYSA-N 0 0 304.354 0.718 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000182470478 416223745 /nfs/dbraw/zinc/22/37/45/416223745.db2.gz XMIPQACMIGHQSP-UWVGGRQHSA-N 0 0 317.411 0.022 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN4CCCC[C@H]4C3)cnc21 ZINC000182745633 416229573 /nfs/dbraw/zinc/22/95/73/416229573.db2.gz OXQKBBCYIWOYTQ-LBPRGKRZSA-N 0 0 300.366 0.674 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN4CCCC[C@@H]4C3)cnc21 ZINC000182745613 416230165 /nfs/dbraw/zinc/23/01/65/416230165.db2.gz OXQKBBCYIWOYTQ-GFCCVEGCSA-N 0 0 300.366 0.674 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)cnc21 ZINC000182823725 416230820 /nfs/dbraw/zinc/23/08/20/416230820.db2.gz YKZNTHDNOQXZEF-NSHDSACASA-N 0 0 315.255 0.503 10 0 DCAERN C[C@H](CNc1ncnc2c3ccccc3oc21)S(N)(=O)=O ZINC000348104466 416231047 /nfs/dbraw/zinc/23/10/47/416231047.db2.gz JGUCRJORNOWXDR-MRVPVSSYSA-N 0 0 306.347 1.465 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H](C)C[S@](C)=O)no2)c1 ZINC000182775644 416231524 /nfs/dbraw/zinc/23/15/24/416231524.db2.gz KUHHEUDUAKMZQN-UZJPJQLHSA-N 0 0 310.379 0.725 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C[S@](C)=O ZINC000182784273 416231594 /nfs/dbraw/zinc/23/15/94/416231594.db2.gz DQOZYPPRTWQXMN-LJKVFVBVSA-N 0 0 322.430 0.843 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H](C)C[S@@](C)=O)no2)c1 ZINC000182775684 416231806 /nfs/dbraw/zinc/23/18/06/416231806.db2.gz KUHHEUDUAKMZQN-LADRHHBVSA-N 0 0 310.379 0.725 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000182880793 416232125 /nfs/dbraw/zinc/23/21/25/416232125.db2.gz PNNKWYNEXFITNW-BLLLJJGKSA-N 0 0 314.426 0.975 10 0 DCAERN Cc1c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cnn1C ZINC000178116119 416158202 /nfs/dbraw/zinc/15/82/02/416158202.db2.gz LFUCGDIUMNBTOV-GXSJLCMTSA-N 0 0 316.365 0.682 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)NCCc1cn[nH]c1 ZINC000357947649 416158328 /nfs/dbraw/zinc/15/83/28/416158328.db2.gz HAPRAWROULFSSF-QWHCGFSZSA-N 0 0 312.370 0.072 10 0 DCAERN Cc1n[nH]cc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178237884 416158720 /nfs/dbraw/zinc/15/87/20/416158720.db2.gz SBSHQPJIHKIOEK-NSHDSACASA-N 0 0 312.395 0.358 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)CCO1 ZINC000183545726 416245275 /nfs/dbraw/zinc/24/52/75/416245275.db2.gz UNCLKGPNFYZQSF-SNVBAGLBSA-N 0 0 324.381 0.273 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N[C@@H](C)C(=O)N(C)C)no1 ZINC000358567364 416254397 /nfs/dbraw/zinc/25/43/97/416254397.db2.gz KKNRWFQEWNUMTQ-IUCAKERBSA-N 0 0 313.358 0.443 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000186365134 416255806 /nfs/dbraw/zinc/25/58/06/416255806.db2.gz ANWIKCBMJLJJOO-OAHLLOKOSA-N 0 0 308.382 0.406 10 0 DCAERN C/C=C/C[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187203627 416260875 /nfs/dbraw/zinc/26/08/75/416260875.db2.gz TZTRVVUMKMFGML-VUDBWIFFSA-N 0 0 317.345 0.133 10 0 DCAERN CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)NC)c1)C(=O)OC ZINC000358632653 416264183 /nfs/dbraw/zinc/26/41/83/416264183.db2.gz CTPNYCUMEABPMR-NSHDSACASA-N 0 0 314.363 0.732 10 0 DCAERN CCc1nn(C)cc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000190048825 416273694 /nfs/dbraw/zinc/27/36/94/416273694.db2.gz ZMPVERHBJDSIMI-UONOGXRCSA-N 0 0 303.366 0.976 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000351401872 416275581 /nfs/dbraw/zinc/27/55/81/416275581.db2.gz MZVXSRALBXAEIX-BBBLOLIVSA-N 0 0 323.315 0.968 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)cc1 ZINC000183181463 416236851 /nfs/dbraw/zinc/23/68/51/416236851.db2.gz KTOQSCYVNBPERH-ZRNGKTOUSA-N 0 0 318.420 0.092 10 0 DCAERN COCCOCCCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000359047177 416301408 /nfs/dbraw/zinc/30/14/08/416301408.db2.gz OAADXQHDFLMBIU-GFCCVEGCSA-N 0 0 301.387 0.302 10 0 DCAERN O=C(Cn1cccn1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192215631 416301874 /nfs/dbraw/zinc/30/18/74/416301874.db2.gz CXZZUYMANOOZJN-AWEZNQCLSA-N 0 0 316.336 0.940 10 0 DCAERN CO[C@](C)(C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1F ZINC000192181552 416302092 /nfs/dbraw/zinc/30/20/92/416302092.db2.gz VZEQTXQKWOKQPK-NHYWBVRUSA-N 0 0 308.309 0.609 10 0 DCAERN Cc1cnc([C@@H](NC(=O)C(=O)N(C)CCCO)C2CC2)s1 ZINC000359070017 416306045 /nfs/dbraw/zinc/30/60/45/416306045.db2.gz RJNXLGPHFCGNER-NSHDSACASA-N 0 0 311.407 0.860 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000193079828 416313441 /nfs/dbraw/zinc/31/34/41/416313441.db2.gz PNUDQUYWQVBMCF-NEPJUHHUSA-N 0 0 305.382 0.390 10 0 DCAERN Cn1ncc2c1ncnc2N1CCN(c2ccc(N)nc2)CC1 ZINC000193702468 416318474 /nfs/dbraw/zinc/31/84/74/416318474.db2.gz TZBZBCFUUMQEDI-UHFFFAOYSA-N 0 0 310.365 0.667 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000190532553 416279530 /nfs/dbraw/zinc/27/95/30/416279530.db2.gz VSOYKEONCRJVNW-RKDXNWHRSA-N 0 0 324.406 0.804 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000331196744 416284241 /nfs/dbraw/zinc/28/42/41/416284241.db2.gz YSECCBBXYFHZHW-HNNXBMFYSA-N 0 0 324.402 0.976 10 0 DCAERN C[C@H]1CN(C[C@H](O)C2CCCCC2)CCN1S(C)(=O)=O ZINC000191070096 416284221 /nfs/dbraw/zinc/28/42/21/416284221.db2.gz VFXDAXNTBMRKRX-JSGCOSHPSA-N 0 0 304.456 0.893 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)cn1 ZINC000191750114 416288292 /nfs/dbraw/zinc/28/82/92/416288292.db2.gz KHCXAYOUDYCPIZ-UONOGXRCSA-N 0 0 308.382 0.134 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000192077579 416298673 /nfs/dbraw/zinc/29/86/73/416298673.db2.gz LOCJKLQGCDXQAO-CMPLNLGQSA-N 0 0 306.366 0.776 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)c1nnn(C)c1C ZINC000261626637 416335596 /nfs/dbraw/zinc/33/55/96/416335596.db2.gz AQRHOWDBNMZBSA-CYBMUJFWSA-N 0 0 315.377 0.919 10 0 DCAERN CCOCCCNC(=O)[C@H](C)[S@@](=O)Cc1ccnc(C)n1 ZINC000359357852 416343709 /nfs/dbraw/zinc/34/37/09/416343709.db2.gz DVAHPYNZSDNQTE-MQJDWESPSA-N 0 0 313.423 0.965 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCOC1 ZINC000194431185 416323489 /nfs/dbraw/zinc/32/34/89/416323489.db2.gz NPYLBYSDSRZSDP-KGLIPLIRSA-N 0 0 305.378 0.809 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NC[C@H]2Cc3ccccc32)C1=O ZINC000194879406 416324777 /nfs/dbraw/zinc/32/47/77/416324777.db2.gz DGJVOGHITCUJCJ-LLVKDONJSA-N 0 0 301.346 0.773 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000195479239 416326495 /nfs/dbraw/zinc/32/64/95/416326495.db2.gz ZGLPBRHPJUDRBA-ZWNOBZJWSA-N 0 0 312.391 0.639 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195455363 416326724 /nfs/dbraw/zinc/32/67/24/416326724.db2.gz TVHHRDZFVNXCBW-UHFFFAOYSA-N 0 0 312.391 0.892 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000198201446 416326856 /nfs/dbraw/zinc/32/68/56/416326856.db2.gz SUELSTPBUCPXSS-ZDUSSCGKSA-N 0 0 312.458 0.433 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)[C@H]1COCCN1 ZINC000237901455 416329110 /nfs/dbraw/zinc/32/91/10/416329110.db2.gz ARJIFGZHEOLPBD-UONOGXRCSA-N 0 0 303.362 0.287 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)Cn2ncc3ccccc32)C1=O ZINC000360089408 416370019 /nfs/dbraw/zinc/37/00/19/416370019.db2.gz SYQHQOFMRQJHRH-LBPRGKRZSA-N 0 0 314.345 0.688 10 0 DCAERN CCCCN(C)C(=O)CS(=O)(=O)CC(=O)N(C)CC1CC1 ZINC000360565210 416396951 /nfs/dbraw/zinc/39/69/51/416396951.db2.gz SYPYBHGAPFIPTJ-UHFFFAOYSA-N 0 0 318.439 0.528 10 0 DCAERN COCCOCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360574791 416397199 /nfs/dbraw/zinc/39/71/99/416397199.db2.gz QKTTZPDAJGSGMT-OAHLLOKOSA-N 0 0 309.362 0.956 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434672203 416490800 /nfs/dbraw/zinc/49/08/00/416490800.db2.gz LWLBEFPUWXPTNW-MRVPVSSYSA-N 0 0 324.406 0.459 10 0 DCAERN CN(C)c1nccc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)n1 ZINC000583568869 416475986 /nfs/dbraw/zinc/47/59/86/416475986.db2.gz AERMKIAFUFKQLF-LLVKDONJSA-N 0 0 313.427 0.403 10 0 DCAERN CN(C[C@H]1CCc2nccn2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583614795 416479330 /nfs/dbraw/zinc/47/93/30/416479330.db2.gz HCCWZCYLZBXHKB-VXGBXAGGSA-N 0 0 305.382 0.318 10 0 DCAERN Cn1cc(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000583619571 416479833 /nfs/dbraw/zinc/47/98/33/416479833.db2.gz UHGLPVQTOJHLPH-CJNGLKHVSA-N 0 0 313.361 0.446 10 0 DCAERN CCn1cnnc1[C@H]1CN(C(=O)N[C@@H](COC)C2CC2)CCO1 ZINC000583622054 416480437 /nfs/dbraw/zinc/48/04/37/416480437.db2.gz IIZAFALNQHAKKH-QWHCGFSZSA-N 0 0 323.397 0.806 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC000583619493 416480765 /nfs/dbraw/zinc/48/07/65/416480765.db2.gz QVGGVMXFDJESFL-GJZGRUSLSA-N 0 0 318.373 0.655 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C)CC(C)(C)O)C1 ZINC000458555215 416481964 /nfs/dbraw/zinc/48/19/64/416481964.db2.gz YTYAAVBUDUBOCH-MNOVXSKESA-N 0 0 300.403 0.639 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC1=O ZINC000361194829 416424519 /nfs/dbraw/zinc/42/45/19/416424519.db2.gz DNLARWMDZLNSLU-BXKDBHETSA-N 0 0 323.315 0.706 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000361204578 416425590 /nfs/dbraw/zinc/42/55/90/416425590.db2.gz GNZWSBQBDSEOQX-GZMMTYOYSA-N 0 0 309.288 0.316 10 0 DCAERN CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccnc(C)n1 ZINC000361316377 416429419 /nfs/dbraw/zinc/42/94/19/416429419.db2.gz PPHZSSASARJGHW-AWEZNQCLSA-N 0 0 321.425 0.767 10 0 DCAERN CC(=O)N1CCN(C(=O)NCC[C@H](C)[S@@](C)=O)[C@H](C)C1 ZINC000361371717 416432704 /nfs/dbraw/zinc/43/27/04/416432704.db2.gz IRGKVJVRQHETBS-QZXWKGOOSA-N 0 0 303.428 0.406 10 0 DCAERN C/C=C\C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361536226 416445056 /nfs/dbraw/zinc/44/50/56/416445056.db2.gz JNOTXTQLXSXUOZ-MEPZIYLKSA-N 0 0 317.407 0.825 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000361921291 416524130 /nfs/dbraw/zinc/52/41/30/416524130.db2.gz AYLCKOTYBFJKCS-ZYHUDNBSSA-N 0 0 308.382 0.711 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C2CCCCC2)nn1C ZINC000361950441 416531640 /nfs/dbraw/zinc/53/16/40/416531640.db2.gz CWFLKLIMPNWCKU-INIZCTEOSA-N 0 0 322.409 1.115 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000534291803 416498213 /nfs/dbraw/zinc/49/82/13/416498213.db2.gz LQKXSQVNRGUQMA-CMPLNLGQSA-N 0 0 314.411 0.575 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N(CCO)CC(F)F ZINC000362087584 416560725 /nfs/dbraw/zinc/56/07/25/416560725.db2.gz MZLRVOGZXAXHQL-UHFFFAOYSA-N 0 0 304.297 0.061 10 0 DCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)c1cn2cccnc2n1 ZINC000541452400 416606895 /nfs/dbraw/zinc/60/68/95/416606895.db2.gz MJGIGMDEEBLAFA-JTQLQIEISA-N 0 0 308.363 0.426 10 0 DCAERN O=C(Nc1nnc(C(F)F)s1)N1CCN2CCOC[C@@H]2C1 ZINC000363869190 416576950 /nfs/dbraw/zinc/57/69/50/416576950.db2.gz QPIQGBDVUJYPHB-ZETCQYMHSA-N 0 0 319.337 1.024 10 0 DCAERN COC[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC000437397754 416584770 /nfs/dbraw/zinc/58/47/70/416584770.db2.gz PUDVGXGQOLWXJB-GFCCVEGCSA-N 0 0 321.308 0.743 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCN2CCOC[C@H]2C1 ZINC000368643294 416678009 /nfs/dbraw/zinc/67/80/09/416678009.db2.gz QWEOHAMETFTAOF-CYBMUJFWSA-N 0 0 308.382 0.113 10 0 DCAERN CCCN(CCO)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439844342 416621580 /nfs/dbraw/zinc/62/15/80/416621580.db2.gz MRSWZPKJOCMUSG-UHFFFAOYSA-N 0 0 319.361 0.593 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccncc1N1CCCC1 ZINC000542460733 416623877 /nfs/dbraw/zinc/62/38/77/416623877.db2.gz PGPDUHLMSKSIMC-UHFFFAOYSA-N 0 0 301.354 0.478 10 0 DCAERN COc1ccc(NC(=O)c2cccc(C(N)=O)n2)cc1CO ZINC000542888293 416635837 /nfs/dbraw/zinc/63/58/37/416635837.db2.gz TXYBIRBPGSLXBN-UHFFFAOYSA-N 0 0 301.302 0.934 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCN3C(=O)CC[C@@H]3C2)n1 ZINC000543365009 416638874 /nfs/dbraw/zinc/63/88/74/416638874.db2.gz AMZFBMPSIMNTPF-SNVBAGLBSA-N 0 0 306.370 0.872 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CNC(=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000543566902 416641201 /nfs/dbraw/zinc/64/12/01/416641201.db2.gz OENFODRWUCDMDS-LLVKDONJSA-N 0 0 314.349 0.206 10 0 DCAERN CCCN(C(=O)[C@@H](C)N(C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440946982 416653372 /nfs/dbraw/zinc/65/33/72/416653372.db2.gz WWLGJWYMZRKGRX-CHWSQXEVSA-N 0 0 320.455 0.115 10 0 DCAERN CCCCN(C(=O)CN(C)CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000440956244 416656302 /nfs/dbraw/zinc/65/63/02/416656302.db2.gz UIWBNWLRSYQXGW-CYBMUJFWSA-N 0 0 320.455 0.116 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000368705671 416684802 /nfs/dbraw/zinc/68/48/02/416684802.db2.gz DGZCXKNYFALWGP-LLVKDONJSA-N 0 0 317.436 0.465 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000443324172 416751744 /nfs/dbraw/zinc/75/17/44/416751744.db2.gz CLPCJTQANOQPLZ-UHFFFAOYSA-N 0 0 317.345 0.318 10 0 DCAERN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cccc1N(C)C ZINC000442274906 416691101 /nfs/dbraw/zinc/69/11/01/416691101.db2.gz WWOMUFVJJZWQQZ-CYBMUJFWSA-N 0 0 318.377 0.346 10 0 DCAERN Cc1cc(NC(=O)CN2CCOCC2=O)nn1[C@H](C)C1CC1 ZINC000548719721 416691803 /nfs/dbraw/zinc/69/18/03/416691803.db2.gz SACCYFJMBFKUBS-LLVKDONJSA-N 0 0 306.366 0.960 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)N(C)CCCO)CC1 ZINC000442380565 416693069 /nfs/dbraw/zinc/69/30/69/416693069.db2.gz SUUQLBZSKQRISO-UHFFFAOYSA-N 0 0 321.443 0.214 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCc1cnc(C)nc1N ZINC000552183908 416698672 /nfs/dbraw/zinc/69/86/72/416698672.db2.gz INMSKPKDYGEDFH-UHFFFAOYSA-N 0 0 313.361 0.722 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCNc1cnccn1 ZINC000554748148 416709871 /nfs/dbraw/zinc/70/98/71/416709871.db2.gz VZJBMSFPTBJPNU-LBPRGKRZSA-N 0 0 315.381 0.999 10 0 DCAERN CC(C)(C)CS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000443023295 416726407 /nfs/dbraw/zinc/72/64/07/416726407.db2.gz JDMUTXSTPIHOCN-LBPRGKRZSA-N 0 0 318.439 0.732 10 0 DCAERN CCn1cc([C@@H]2OCC[C@H]2NS(=O)(=O)C2COC2)cn1 ZINC000623079225 416739653 /nfs/dbraw/zinc/73/96/53/416739653.db2.gz PLBHXCXELRPSCC-NEPJUHHUSA-N 0 0 301.368 0.051 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC(n2ccnn2)C1 ZINC000369271285 416741175 /nfs/dbraw/zinc/74/11/75/416741175.db2.gz PTQALLBZKCODHH-QMMMGPOBSA-N 0 0 320.382 0.164 10 0 DCAERN Cc1cc(CCNC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)on1 ZINC000558173268 416762279 /nfs/dbraw/zinc/76/22/79/416762279.db2.gz HECASRMVKZMBOA-GFCCVEGCSA-N 0 0 315.395 0.744 10 0 DCAERN COC(=O)[C@@](C)(O)CN1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000517054093 416776128 /nfs/dbraw/zinc/77/61/28/416776128.db2.gz SFUSVWOPPNEWRQ-NHYWBVRUSA-N 0 0 324.381 0.160 10 0 DCAERN Cn1nnc2c1nccc2C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000559051918 416802143 /nfs/dbraw/zinc/80/21/43/416802143.db2.gz OCELGKZJGQHSOH-JTQLQIEISA-N 0 0 313.321 1.190 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1c1nc(C(F)(F)F)ns1 ZINC000517603014 416814760 /nfs/dbraw/zinc/81/47/60/416814760.db2.gz QEODHFZADCTWEK-RXMQYKEDSA-N 0 0 316.330 0.814 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C2CCC1CC2 ZINC000623671880 416868819 /nfs/dbraw/zinc/86/88/19/416868819.db2.gz XMBCSNGOGTTYJL-UHFFFAOYSA-N 0 0 309.410 0.949 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121636 416887767 /nfs/dbraw/zinc/88/77/67/416887767.db2.gz LMGCUOXMRQLHLF-CZUORRHYSA-N 0 0 309.410 0.226 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2ccc(OCC(N)=O)cc2)C1=O ZINC000445893183 416900792 /nfs/dbraw/zinc/90/07/92/416900792.db2.gz IEOQAILQCBMLNP-JDGPPOGSSA-N 0 0 303.318 0.942 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC12CCC2 ZINC000445934817 416905915 /nfs/dbraw/zinc/90/59/15/416905915.db2.gz NXWOQQRRVQXQOS-JTQLQIEISA-N 0 0 312.395 0.242 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C)CN1CCOCC1 ZINC000615818411 416916683 /nfs/dbraw/zinc/91/66/83/416916683.db2.gz NJZDDSXNJGJTBO-BARDWOONSA-N 0 0 324.421 0.755 10 0 DCAERN COCCOCCNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446469997 416929383 /nfs/dbraw/zinc/92/93/83/416929383.db2.gz AYORQWVYGCANBL-SNVBAGLBSA-N 0 0 324.303 0.986 10 0 DCAERN Cn1nccc1NC(=O)C(=O)NC[C@H](CO)c1ccccc1 ZINC000446803641 416947490 /nfs/dbraw/zinc/94/74/90/416947490.db2.gz MFDADBQCEOTXMG-GFCCVEGCSA-N 0 0 302.334 0.251 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000521651360 417023720 /nfs/dbraw/zinc/02/37/20/417023720.db2.gz QYOCUXDZIZKTKE-GFCCVEGCSA-N 0 0 319.409 0.674 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCC[C@@H](n3cccn3)C2)n1 ZINC000376747276 417038719 /nfs/dbraw/zinc/03/87/19/417038719.db2.gz GIDRSLFFAXIKRG-GFCCVEGCSA-N 0 0 300.366 1.501 10 0 DCAERN Cn1cc(O[C@@H]2CN(c3ccnc4c3cnn4C)C[C@H]2O)cn1 ZINC000624423871 417039414 /nfs/dbraw/zinc/03/94/14/417039414.db2.gz XPIZTLJFGMJIFW-ZIAGYGMSSA-N 0 0 314.349 0.330 10 0 DCAERN CN1CCC[C@@]2(CCN(c3ncccc3S(N)(=O)=O)C2)C1=O ZINC000376949508 417044009 /nfs/dbraw/zinc/04/40/09/417044009.db2.gz OTZBWAUWLIBSPK-AWEZNQCLSA-N 0 0 324.406 0.178 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Nc3nncs3)[C@H]2C1 ZINC000566583716 417051401 /nfs/dbraw/zinc/05/14/01/417051401.db2.gz CDHKMOUNFWCBLR-DCAQKATOSA-N 0 0 309.395 1.307 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000522224405 417058016 /nfs/dbraw/zinc/05/80/16/417058016.db2.gz HIVYFTGVSJQUEK-XJFOESAGSA-N 0 0 323.455 0.296 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H](C)C1CC1 ZINC000624593747 417064974 /nfs/dbraw/zinc/06/49/74/417064974.db2.gz BEWURZWDPRELOK-JTQLQIEISA-N 0 0 311.426 0.958 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCN1CCSCC1 ZINC000524285949 417103251 /nfs/dbraw/zinc/10/32/51/417103251.db2.gz OFPZBBCPIKSGOY-CYBMUJFWSA-N 0 0 321.446 0.970 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)NCCc1cccc(OC)n1 ZINC000448524984 417080148 /nfs/dbraw/zinc/08/01/48/417080148.db2.gz MRZFLQACOOUHNS-UHFFFAOYSA-N 0 0 308.382 0.704 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCCN1S(N)(=O)=O ZINC000616623073 417083372 /nfs/dbraw/zinc/08/33/72/417083372.db2.gz JAXXNPBFTIFWOX-JTQLQIEISA-N 0 0 307.416 0.959 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2cn[nH]n2)C1 ZINC000616597672 417084341 /nfs/dbraw/zinc/08/43/41/417084341.db2.gz HTIJVHJXUOHXLL-CYBMUJFWSA-N 0 0 308.363 0.957 10 0 DCAERN CC(=O)N[C@@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616662596 417089200 /nfs/dbraw/zinc/08/92/00/417089200.db2.gz CELWQVLLMFRWTO-LBPRGKRZSA-N 0 0 301.387 0.348 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616660985 417089789 /nfs/dbraw/zinc/08/97/89/417089789.db2.gz UZAWSPZSKQVXSN-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2ccncn2)C1 ZINC000616653216 417090051 /nfs/dbraw/zinc/09/00/51/417090051.db2.gz JPMAPSRMCUHXQF-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN C[C@H]([NH2+]C1COCCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000383323561 417090788 /nfs/dbraw/zinc/09/07/88/417090788.db2.gz WSBFLKZQUQYCIE-JTQLQIEISA-N 0 0 300.380 0.400 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1COCCN(S(N)(=O)=O)C1 ZINC000616663871 417091257 /nfs/dbraw/zinc/09/12/57/417091257.db2.gz QCHOTMBLYSDFFY-SNVBAGLBSA-N 0 0 323.415 0.053 10 0 DCAERN Nc1ncccc1[C@H]1CN(S(N)(=O)=O)c2ccccc2N1 ZINC000616691621 417094382 /nfs/dbraw/zinc/09/43/82/417094382.db2.gz ONGOLOLZTFGXTI-LLVKDONJSA-N 0 0 305.363 0.841 10 0 DCAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cc2n(n1)CCCC2 ZINC000616766707 417106644 /nfs/dbraw/zinc/10/66/44/417106644.db2.gz MDLOJQDYECSZPJ-IACUBPJLSA-N 0 0 301.350 0.520 10 0 DCAERN COC(=O)c1nc(N[C@H]2CCN(S(C)(=O)=O)C2)sc1C ZINC000400320689 417110921 /nfs/dbraw/zinc/11/09/21/417110921.db2.gz YBRSDWDNHLZOFE-QMMMGPOBSA-N 0 0 319.408 0.684 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044156 417135036 /nfs/dbraw/zinc/13/50/36/417135036.db2.gz TVCXVJGUPLZHAI-NWDGAFQWSA-N 0 0 319.365 0.117 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000408046688 417136803 /nfs/dbraw/zinc/13/68/03/417136803.db2.gz MSAYNOGMPMCOTM-LOWVWBTDSA-N 0 0 324.343 0.917 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408113396 417140203 /nfs/dbraw/zinc/14/02/03/417140203.db2.gz SASPOMUCACRUGB-GFCCVEGCSA-N 0 0 322.409 0.404 10 0 DCAERN CCSc1nnc(NC(=O)N2CCS(=O)(=O)CC2)s1 ZINC000408111550 417140666 /nfs/dbraw/zinc/14/06/66/417140666.db2.gz CAMHRPGRBFNOCZ-UHFFFAOYSA-N 0 0 322.437 0.912 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nocc1C ZINC000626216235 417161370 /nfs/dbraw/zinc/16/13/70/417161370.db2.gz JQLWSGFBWBZJCW-UHFFFAOYSA-N 0 0 310.354 0.731 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000408194637 417145616 /nfs/dbraw/zinc/14/56/16/417145616.db2.gz ZFBZNTGPEUOCJH-IJLUTSLNSA-N 0 0 304.412 0.436 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000408203566 417147678 /nfs/dbraw/zinc/14/76/78/417147678.db2.gz LNFVVKVZVHGDKF-CYBMUJFWSA-N 0 0 301.408 0.983 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408258656 417151475 /nfs/dbraw/zinc/15/14/75/417151475.db2.gz ZIRZPQGGWUBTHZ-WCFLWFBJSA-N 0 0 320.411 0.020 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408260796 417152370 /nfs/dbraw/zinc/15/23/70/417152370.db2.gz YKOQSUKXHBRZIN-LRDDRELGSA-N 0 0 317.393 0.579 10 0 DCAERN CCN1CCOC[C@H]1C(=O)Nc1n[nH]cc1Br ZINC000408470517 417163102 /nfs/dbraw/zinc/16/31/02/417163102.db2.gz WNXGZSHHCKEULK-QMMMGPOBSA-N 0 0 303.160 0.831 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000408332302 417155830 /nfs/dbraw/zinc/15/58/30/417155830.db2.gz RLWZNIDOMFGOPJ-VHSXEESVSA-N 0 0 311.411 0.584 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cccc3ncnn32)[C@@H](C)C1 ZINC000526011554 417172465 /nfs/dbraw/zinc/17/24/65/417172465.db2.gz GBQOVUDITSGHGU-RYUDHWBXSA-N 0 0 303.366 0.256 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@]2(CCOC2)O1 ZINC000527026391 417202544 /nfs/dbraw/zinc/20/25/44/417202544.db2.gz GIDKNJFIFNUYAK-PXAZEXFGSA-N 0 0 322.405 0.794 10 0 DCAERN C[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1C(=O)CCC1=O ZINC000527026541 417203526 /nfs/dbraw/zinc/20/35/26/417203526.db2.gz RHAOAECYHZYTJC-BZNIZROVSA-N 0 0 324.377 0.320 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@@]2(CCOC2)O1 ZINC000527026833 417203972 /nfs/dbraw/zinc/20/39/72/417203972.db2.gz HBSPZCSHHUZECV-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN COc1cc(NC(=O)CCCN2C(=O)CNC2=O)ccc1O ZINC000438081027 287366988 /nfs/dbraw/zinc/36/69/88/287366988.db2.gz PFCGKRQJAHQTMR-UHFFFAOYSA-N 0 0 307.306 0.671 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCn3ccnc32)CCCO1 ZINC000569762423 417292676 /nfs/dbraw/zinc/29/26/76/417292676.db2.gz ODNXKEUFJMEHEL-OLZOCXBDSA-N 0 0 320.393 0.514 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCn3ccnc32)CCCO1 ZINC000569762425 417293124 /nfs/dbraw/zinc/29/31/24/417293124.db2.gz ODNXKEUFJMEHEL-STQMWFEESA-N 0 0 320.393 0.514 10 0 DCAERN C[C@@](O)(CO)CNc1ccc(I)cn1 ZINC000450493454 417231897 /nfs/dbraw/zinc/23/18/97/417231897.db2.gz COMFJDGKCUGUEY-VIFPVBQESA-N 0 0 308.119 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncnc3[nH]ccc32)CC12COC2 ZINC000450570529 417240075 /nfs/dbraw/zinc/24/00/75/417240075.db2.gz PFSSXKBXJOJHRJ-NSHDSACASA-N 0 0 302.334 0.974 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000527499668 417246073 /nfs/dbraw/zinc/24/60/73/417246073.db2.gz RIDIYARPAWDCJP-SNVBAGLBSA-N 0 0 306.322 0.739 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)CC)CC1 ZINC000451240230 417322223 /nfs/dbraw/zinc/32/22/23/417322223.db2.gz CQDGHGKSJBJXNW-NXEZZACHSA-N 0 0 312.366 0.318 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000570385391 417345167 /nfs/dbraw/zinc/34/51/67/417345167.db2.gz PLDISQBNPWRGAV-UHFFFAOYSA-N 0 0 317.349 0.256 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000643878498 417409007 /nfs/dbraw/zinc/40/90/07/417409007.db2.gz VWHICMZAGLVURG-CYBMUJFWSA-N 0 0 305.396 0.377 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000633351342 417414163 /nfs/dbraw/zinc/41/41/63/417414163.db2.gz RHIGJLAHPXMZPU-HBNTYKKESA-N 0 0 308.300 0.769 10 0 DCAERN CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000438744341 287375750 /nfs/dbraw/zinc/37/57/50/287375750.db2.gz IKAVBARSBTXXHK-UHFFFAOYSA-N 0 0 322.365 0.498 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000633148501 417377749 /nfs/dbraw/zinc/37/77/49/417377749.db2.gz TUHIQKIOKISLGV-FOGDFJRCSA-N 0 0 302.396 0.031 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000633520482 417446244 /nfs/dbraw/zinc/44/62/44/417446244.db2.gz AALZYXDCTCNQOB-NWDGAFQWSA-N 0 0 301.337 0.549 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2nnc(C3CC3)s2)C1 ZINC000572782751 417462450 /nfs/dbraw/zinc/46/24/50/417462450.db2.gz AVHSBPZSBIMBBC-VIFPVBQESA-N 0 0 324.410 1.341 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(NC)nc2)CC12COC2 ZINC000452266333 417464570 /nfs/dbraw/zinc/46/45/70/417464570.db2.gz SCAMGWVDLFEPIG-GFCCVEGCSA-N 0 0 319.361 0.775 10 0 DCAERN C[C@H](O)CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000439013865 287380324 /nfs/dbraw/zinc/38/03/24/287380324.db2.gz YKDFWYGNKIUHLP-LBPRGKRZSA-N 0 0 316.398 0.903 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](CC)C(=O)OC)CC12COC2 ZINC000452265397 417464845 /nfs/dbraw/zinc/46/48/45/417464845.db2.gz QGIVKJXUDWZNHQ-GHMZBOCLSA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cncc(F)c2)CC12COC2 ZINC000452270288 417464995 /nfs/dbraw/zinc/46/49/95/417464995.db2.gz ZGPDKRUTMNVXHH-LBPRGKRZSA-N 0 0 308.309 0.872 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(C)ccn2C)CC12COC2 ZINC000452265277 417465133 /nfs/dbraw/zinc/46/51/33/417465133.db2.gz QCHDKPLDSKKYFX-GFCCVEGCSA-N 0 0 306.362 0.985 10 0 DCAERN Cc1cc(CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)ccn1 ZINC000622633494 417469853 /nfs/dbraw/zinc/46/98/53/417469853.db2.gz VDPCYDBULSJVPY-KRWDZBQOSA-N 0 0 315.373 0.928 10 0 DCAERN NC(=O)c1nnc2c(I)cccc2c1N ZINC000575601105 417539187 /nfs/dbraw/zinc/53/91/87/417539187.db2.gz JABQGVOKLOIOFS-UHFFFAOYSA-N 0 0 314.086 0.916 10 0 DCAERN O=C(C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccc2c(c1)CCC2 ZINC000452977263 417512689 /nfs/dbraw/zinc/51/26/89/417512689.db2.gz ARUOGSPQZBYLSN-BETUJISGSA-N 0 0 312.325 0.089 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000454966380 417588101 /nfs/dbraw/zinc/58/81/01/417588101.db2.gz JBFYSOWISSWXQA-UTUOFQBUSA-N 0 0 300.403 0.855 10 0 DCAERN CC(=O)c1ccc(NC(=O)NC(CO)(CO)CO)cc1Cl ZINC000455095480 417594479 /nfs/dbraw/zinc/59/44/79/417594479.db2.gz QBBZCCLGTAZWCF-UHFFFAOYSA-N 0 0 316.741 0.380 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)c2cn3cccnc3n2)c1C ZINC000530296598 417565035 /nfs/dbraw/zinc/56/50/35/417565035.db2.gz WGQYOUSGCJWUJO-UHFFFAOYSA-N 0 0 314.305 0.660 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cncc(F)c2)C1 ZINC000439733530 287388340 /nfs/dbraw/zinc/38/83/40/287388340.db2.gz RVIFYHQZBCPAEK-LLVKDONJSA-N 0 0 322.340 0.676 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000530460673 417576354 /nfs/dbraw/zinc/57/63/54/417576354.db2.gz VEQSIBNNUIBQKI-NEPJUHHUSA-N 0 0 304.412 0.678 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NC(COC)COC)c1 ZINC000456239015 417637104 /nfs/dbraw/zinc/63/71/04/417637104.db2.gz USCZHIZBEKRLIM-UHFFFAOYSA-N 0 0 315.391 0.871 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000532063608 417654964 /nfs/dbraw/zinc/65/49/64/417654964.db2.gz WVSNHJOOVGDRIB-WCQGTBRESA-N 0 0 308.386 0.555 10 0 DCAERN COC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CCC1 ZINC000628575025 417656306 /nfs/dbraw/zinc/65/63/06/417656306.db2.gz AAOOXORWMLTRLN-OAHLLOKOSA-N 0 0 312.410 0.288 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](C)OC[C@@H]2CCCO2)C1 ZINC000532120277 417660259 /nfs/dbraw/zinc/66/02/59/417660259.db2.gz FWSPYSFFNQNYQD-AGIUHOORSA-N 0 0 313.398 0.491 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000628592406 417664439 /nfs/dbraw/zinc/66/44/39/417664439.db2.gz SBKFOFBDAJYNEB-LSDHHAIUSA-N 0 0 307.346 0.924 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccncc1Br ZINC000629233909 417764184 /nfs/dbraw/zinc/76/41/84/417764184.db2.gz IHUKQRLSUZGQPQ-UWVGGRQHSA-N 0 0 301.140 0.724 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458135683 417723575 /nfs/dbraw/zinc/72/35/75/417723575.db2.gz WXKBQGMHPBCSHO-CYBMUJFWSA-N 0 0 304.350 0.451 10 0 DCAERN O=C(COc1ccccc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000458131105 417724069 /nfs/dbraw/zinc/72/40/69/417724069.db2.gz QZQXACOBWCTJSQ-SNVBAGLBSA-N 0 0 310.741 0.488 10 0 DCAERN O=C(Cc1ccc(F)cc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000458137936 417725342 /nfs/dbraw/zinc/72/53/42/417725342.db2.gz LYAQTRPLCKTUTE-LLVKDONJSA-N 0 0 312.732 0.790 10 0 DCAERN CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)nc1 ZINC000458142570 417726169 /nfs/dbraw/zinc/72/61/69/417726169.db2.gz PAXPMPZJGKYGEF-NSHDSACASA-N 0 0 319.365 0.641 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)[C@@H]1COc2ccc(Cl)cc21 ZINC000458150004 417726187 /nfs/dbraw/zinc/72/61/87/417726187.db2.gz VMTMEGZLGXCMKV-ZYHUDNBSSA-N 0 0 322.752 0.585 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)[C@@H]1COc2ccc(Cl)cc21 ZINC000458150001 417726204 /nfs/dbraw/zinc/72/62/04/417726204.db2.gz VMTMEGZLGXCMKV-CMPLNLGQSA-N 0 0 322.752 0.585 10 0 DCAERN c1c(CNc2nc3n(n2)CCCC3)nnn1C[C@@H]1CCOC1 ZINC000630954589 417829256 /nfs/dbraw/zinc/82/92/56/417829256.db2.gz MIJYWSSUUGEDJG-NSHDSACASA-N 0 0 303.370 0.855 10 0 DCAERN CC(=O)c1ccc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)o1 ZINC000446191115 287437302 /nfs/dbraw/zinc/43/73/02/287437302.db2.gz HNBSQGYIVPXHEE-UHFFFAOYSA-N 0 0 321.333 0.966 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000664271145 418107743 /nfs/dbraw/zinc/10/77/43/418107743.db2.gz JRUKIERBTNZMNV-RFZPGFLSSA-N 0 0 317.314 0.781 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)C2(C)CC2)CC1 ZINC000451431926 287463428 /nfs/dbraw/zinc/46/34/28/287463428.db2.gz ZDCJTQJMRWUMKM-UHFFFAOYSA-N 0 0 304.412 0.438 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCSC1 ZINC000487128278 287532545 /nfs/dbraw/zinc/53/25/45/287532545.db2.gz DXBICPJWHOZGPE-GUBZILKMSA-N 0 0 302.396 0.312 10 0 DCAERN C[C@H](C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)n1cncn1 ZINC000487736458 287540333 /nfs/dbraw/zinc/54/03/33/287540333.db2.gz GHQYPSAPDXMMNB-APPZFPTMSA-N 0 0 302.260 0.992 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000488131989 287546441 /nfs/dbraw/zinc/54/64/41/287546441.db2.gz HFMIMLZVPAHPSS-UWVGGRQHSA-N 0 0 324.381 0.223 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cncc(C)c1 ZINC000488156315 287546731 /nfs/dbraw/zinc/54/67/31/287546731.db2.gz BHJQEUHZUHEWOP-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CCN(Cc2ccco2)CC1 ZINC000299685466 229331861 /nfs/dbraw/zinc/33/18/61/229331861.db2.gz YVOJLLLNBITKGC-CYBMUJFWSA-N 0 0 318.381 0.787 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1C(F)(F)F ZINC000299744114 229382098 /nfs/dbraw/zinc/38/20/98/229382098.db2.gz NOKKTCBNDHGLAJ-RKDXNWHRSA-N 0 0 321.299 0.121 10 0 DCAERN COc1cccc(CC(=O)N2CCC[C@H]2Cn2ccnn2)n1 ZINC000299745942 229386611 /nfs/dbraw/zinc/38/66/11/229386611.db2.gz UEXBWWUONZQRHD-ZDUSSCGKSA-N 0 0 301.350 0.915 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105921231 261108287 /nfs/dbraw/zinc/10/82/87/261108287.db2.gz WPFDISAUSDVDLS-CQSZACIVSA-N 0 0 310.398 0.045 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)N[C@@H]3CCOC3)CCO2)n1 ZINC000179164604 261111945 /nfs/dbraw/zinc/11/19/45/261111945.db2.gz QVBRFAUZELAVPF-ZIAGYGMSSA-N 0 0 308.382 0.699 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCC(F)(F)CO)C1 ZINC000183867568 261117523 /nfs/dbraw/zinc/11/75/23/261117523.db2.gz NIKDKQPNIFRGPA-VIFPVBQESA-N 0 0 308.325 0.987 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@@H](CCO)c2ccco2)c1 ZINC000184284422 261118338 /nfs/dbraw/zinc/11/83/38/261118338.db2.gz CNFGOAOXPGFVBZ-LBPRGKRZSA-N 0 0 324.358 0.781 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCNC2=O)CC[S@]1=O ZINC000185264663 261119677 /nfs/dbraw/zinc/11/96/77/261119677.db2.gz XLMHOTQCFKTBJP-HXUWFJFHSA-N 0 0 301.412 0.161 10 0 DCAERN NC(=O)c1coc(CNC(=O)CNC(=O)NC2CCCCC2)c1 ZINC000186676819 261121510 /nfs/dbraw/zinc/12/15/10/261121510.db2.gz SIWHTODATGAUBC-UHFFFAOYSA-N 0 0 322.365 0.627 10 0 DCAERN CC1(C)[C@H](NC(=O)NCc2cc(C(N)=O)co2)[C@H]2CCO[C@@H]21 ZINC000187245748 261122997 /nfs/dbraw/zinc/12/29/97/261122997.db2.gz WOWDAMWTYYHVME-UTUOFQBUSA-N 0 0 307.350 0.991 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)NCCNC(=O)c2ccn[nH]2)O1 ZINC000187420809 261124155 /nfs/dbraw/zinc/12/41/55/261124155.db2.gz JPNUYCSSKRUIQP-JTQLQIEISA-N 0 0 309.370 0.396 10 0 DCAERN C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187878914 261124572 /nfs/dbraw/zinc/12/45/72/261124572.db2.gz LNDPJNVILJJTON-PWSUYJOCSA-N 0 0 310.350 0.969 10 0 DCAERN C[C@@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)N1CCOCC1 ZINC000188194510 261126000 /nfs/dbraw/zinc/12/60/00/261126000.db2.gz JWWRIKQQFPBWRG-STQMWFEESA-N 0 0 313.442 0.764 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCN(C)C(=O)[C@H]1C)c1ccccc1 ZINC000188393641 261126818 /nfs/dbraw/zinc/12/68/18/261126818.db2.gz LLWGXDCFRGZQEB-IUODEOHRSA-N 0 0 317.389 0.943 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)NCCCn2ccnn2)c1 ZINC000188464308 261127770 /nfs/dbraw/zinc/12/77/70/261127770.db2.gz MPFHEOZSUWDQDS-HNNXBMFYSA-N 0 0 317.393 0.879 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@@H](CO)O1 ZINC000189202851 261130232 /nfs/dbraw/zinc/13/02/32/261130232.db2.gz VUGYXSGSUZQDFS-GWCFXTLKSA-N 0 0 312.341 0.609 10 0 DCAERN COCCOc1cccc(CC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188834984 261130954 /nfs/dbraw/zinc/13/09/54/261130954.db2.gz CYMSOLPNLYLGRG-CYBMUJFWSA-N 0 0 320.389 0.991 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000189897052 261133438 /nfs/dbraw/zinc/13/34/38/261133438.db2.gz JCXGRGQTIDEMEH-WOPDTQHZSA-N 0 0 323.397 0.467 10 0 DCAERN CCN1CN(C(=O)NCCOc2ccc(Cl)cn2)CC1=O ZINC000190015106 261133500 /nfs/dbraw/zinc/13/35/00/261133500.db2.gz GKUALRILHHNINO-UHFFFAOYSA-N 0 0 312.757 0.945 10 0 DCAERN CCOC(=O)[C@@H](C)N(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813663 261135257 /nfs/dbraw/zinc/13/52/57/261135257.db2.gz CJWKXPCLSZHDRA-TZMCWYRMSA-N 0 0 300.399 0.096 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000191347409 261137613 /nfs/dbraw/zinc/13/76/13/261137613.db2.gz IZPCNELSJMCFJF-UHFFFAOYSA-N 0 0 321.381 0.215 10 0 DCAERN NC(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 ZINC000192813570 261139826 /nfs/dbraw/zinc/13/98/26/261139826.db2.gz XDUCNEKJQREATF-UHFFFAOYSA-N 0 0 304.350 0.920 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](CO)C1 ZINC000221054026 261152002 /nfs/dbraw/zinc/15/20/02/261152002.db2.gz WGQJUELIFXMGFT-CHWSQXEVSA-N 0 0 318.439 0.422 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000234589465 261154525 /nfs/dbraw/zinc/15/45/25/261154525.db2.gz ZAYANPXVYITQSA-QCNOEVLYSA-N 0 0 305.396 0.815 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(C)n1 ZINC000317010262 261176564 /nfs/dbraw/zinc/17/65/64/261176564.db2.gz PWKGXDLEISXRMK-OAHLLOKOSA-N 0 0 302.334 0.513 10 0 DCAERN CC(=O)C1(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000354370681 261210647 /nfs/dbraw/zinc/21/06/47/261210647.db2.gz IHQZSWRSWDMJJJ-NSHDSACASA-N 0 0 302.396 0.286 10 0 DCAERN CC(=O)N1CCN(C(=O)CCS(=O)(=O)CC(C)C)[C@H](C)C1 ZINC000357915295 261600646 /nfs/dbraw/zinc/60/06/46/261600646.db2.gz PYVIYSCVUVDPGV-GFCCVEGCSA-N 0 0 318.439 0.527 10 0 DCAERN CCOCCCNC(=O)[C@H](C)[S@](=O)Cc1ccnc(C)n1 ZINC000359357853 261740192 /nfs/dbraw/zinc/74/01/92/261740192.db2.gz DVAHPYNZSDNQTE-WIUDPPPLSA-N 0 0 313.423 0.965 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)NC[C@@H](CO)C1CC1 ZINC000359777187 261767002 /nfs/dbraw/zinc/76/70/02/261767002.db2.gz FVTOFLPRCNCBAT-NSHDSACASA-N 0 0 312.316 0.829 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)C1CCN(c2cnccn2)CC1 ZINC000359777453 261767379 /nfs/dbraw/zinc/76/73/79/261767379.db2.gz HZCOKWYLQSKENE-AWEZNQCLSA-N 0 0 304.394 0.828 10 0 DCAERN CCc1cnc(CNC(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)s1 ZINC000360098010 261790230 /nfs/dbraw/zinc/79/02/30/261790230.db2.gz LYWBKVMXRBUPPS-VHSXEESVSA-N 0 0 311.407 0.551 10 0 DCAERN CCOC(=O)c1cccc(OC[C@@H](O)CN2CC(=O)N(C)C2)c1 ZINC000360486681 261836485 /nfs/dbraw/zinc/83/64/85/261836485.db2.gz FGUZVUWDXZBANA-ZDUSSCGKSA-N 0 0 322.361 0.335 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CC(=O)N1C ZINC000360492443 261837484 /nfs/dbraw/zinc/83/74/84/261837484.db2.gz RVNFGDJJZYEGLD-SNVBAGLBSA-N 0 0 301.350 0.935 10 0 DCAERN CN1CN(Cc2ccccc2CN2CC(=O)N(C)C2)CC1=O ZINC000360489079 261837645 /nfs/dbraw/zinc/83/76/45/261837645.db2.gz FJEVTRRYVULGGP-UHFFFAOYSA-N 0 0 302.378 0.150 10 0 DCAERN COc1ccccc1[C@H](C)N(C)C(=O)CN1CC(=O)N(C)C1 ZINC000360505076 261839255 /nfs/dbraw/zinc/83/92/55/261839255.db2.gz RULUHSMDDNVVRU-LBPRGKRZSA-N 0 0 305.378 0.946 10 0 DCAERN CCNC(=O)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361355389 261915299 /nfs/dbraw/zinc/91/52/99/261915299.db2.gz HBTOIOYVXCZWRG-LLVKDONJSA-N 0 0 307.350 0.652 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H]2CCN(C(C)=O)C2)no1 ZINC000362313750 262021650 /nfs/dbraw/zinc/02/16/50/262021650.db2.gz DNQGUWNAJGCBLV-JTQLQIEISA-N 0 0 323.349 0.681 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC(F)(F)F ZINC000362470794 262038716 /nfs/dbraw/zinc/03/87/16/262038716.db2.gz ZACOTWVYXJVWRU-RNFRBKRXSA-N 0 0 313.276 0.304 10 0 DCAERN Cc1sc2ncn(CCC(=O)NCCC(N)=O)c(=O)c2c1C ZINC000362611786 262052249 /nfs/dbraw/zinc/05/22/49/262052249.db2.gz UTTSSVLJOFAZEM-UHFFFAOYSA-N 0 0 322.390 0.457 10 0 DCAERN CCCCCN(CCO)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000362962190 262090150 /nfs/dbraw/zinc/09/01/50/262090150.db2.gz APMAUJSBBIBDCS-MRXNPFEDSA-N 0 0 310.394 0.610 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000363043085 262096062 /nfs/dbraw/zinc/09/60/62/262096062.db2.gz VMPMVSHQNOFXFB-INIZCTEOSA-N 0 0 306.410 0.954 10 0 DCAERN Cc1cccc2ncc(CN3CCC[C@]4(C3)NC(=O)NC4=O)n21 ZINC000363665694 262126903 /nfs/dbraw/zinc/12/69/03/262126903.db2.gz OYUNAEOAVNLPKA-MRXNPFEDSA-N 0 0 313.361 0.817 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363859203 262135215 /nfs/dbraw/zinc/13/52/15/262135215.db2.gz FGYOOYJQJOJXAM-JTQLQIEISA-N 0 0 313.448 0.826 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC(=O)N1C ZINC000374429270 262158345 /nfs/dbraw/zinc/15/83/45/262158345.db2.gz MJUJAVNLBXTKFE-NWDGAFQWSA-N 0 0 307.394 0.467 10 0 DCAERN COC(=O)[C@H]1CCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000390782949 262160255 /nfs/dbraw/zinc/16/02/55/262160255.db2.gz LKXJEKQQEQMDFA-ZDUSSCGKSA-N 0 0 301.350 0.716 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)N(C)C1CCCCC1 ZINC000392903641 262161202 /nfs/dbraw/zinc/16/12/02/262161202.db2.gz VDJDINRFWMWLIH-JQWIXIFHSA-N 0 0 303.428 0.752 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000392902796 262161528 /nfs/dbraw/zinc/16/15/28/262161528.db2.gz UHYYTCQXWZFBAR-WHOHXGKFSA-N 0 0 303.428 0.466 10 0 DCAERN Cc1oc(Br)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000396748152 262163387 /nfs/dbraw/zinc/16/33/87/262163387.db2.gz QLVYZMLJJAZJFM-QMMMGPOBSA-N 0 0 317.139 0.677 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)cc1 ZINC000416662551 262237545 /nfs/dbraw/zinc/23/75/45/262237545.db2.gz KWEPKZPQSHNVJJ-VDISTLRHSA-N 0 0 312.391 0.861 10 0 DCAERN CCn1c(C)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000358640887 271059935 /nfs/dbraw/zinc/05/99/35/271059935.db2.gz WPWUAVAIZVGOIZ-UHFFFAOYSA-N 0 0 316.413 0.789 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCOC[C@H](C)C2)n1 ZINC000359222230 271106512 /nfs/dbraw/zinc/10/65/12/271106512.db2.gz DAUCJXRGCPUIII-GFCCVEGCSA-N 0 0 321.377 0.244 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000359988864 271153561 /nfs/dbraw/zinc/15/35/61/271153561.db2.gz VADYAHRIQVHCCC-QMMMGPOBSA-N 0 0 317.342 0.266 10 0 DCAERN C[C@@H]1CC(=O)NCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000363593883 271195598 /nfs/dbraw/zinc/19/55/98/271195598.db2.gz SBSXQZKURCXXHT-TZOMUSMUSA-N 0 0 301.346 0.536 10 0 DCAERN c1nc2c(ncnc2N[C@H]2CCc3nnnn3CC2)n1C1CC1 ZINC000420641971 271374677 /nfs/dbraw/zinc/37/46/77/271374677.db2.gz NZGRFGABKGULNF-VIFPVBQESA-N 0 0 311.353 0.965 10 0 DCAERN O=S(=O)(c1ccc(NC[C@H](O)C(F)F)nc1)N1CCCC1 ZINC000435590282 271567376 /nfs/dbraw/zinc/56/73/76/271567376.db2.gz XWUGJMONFRDPDG-JTQLQIEISA-N 0 0 321.349 0.904 10 0 DCAERN NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCCF ZINC000437694058 271623371 /nfs/dbraw/zinc/62/33/71/271623371.db2.gz MLFHVAOKVRYDGY-GFCCVEGCSA-N 0 0 315.389 0.793 10 0 DCAERN CC[C@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)N1CCOCC1 ZINC000439647017 271643314 /nfs/dbraw/zinc/64/33/14/271643314.db2.gz XBVMKHJEMFEQNN-UPJWGTAASA-N 0 0 313.398 0.443 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(OCC(N)=O)c2)C1=O ZINC000445914139 271750808 /nfs/dbraw/zinc/75/08/08/271750808.db2.gz REDHDYYCXCCJMZ-JDGPPOGSSA-N 0 0 303.318 0.942 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@H]2C[C@H]2C)C1 ZINC000447694506 271796669 /nfs/dbraw/zinc/79/66/69/271796669.db2.gz IEPWGTKRCFCTQE-ZOBORPQBSA-N 0 0 300.399 0.698 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)Cc1cn(C)nc1C ZINC000448866219 271835278 /nfs/dbraw/zinc/83/52/78/271835278.db2.gz CSBJCTHFPPHXIB-GFCCVEGCSA-N 0 0 310.423 0.651 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458125409 271942564 /nfs/dbraw/zinc/94/25/64/271942564.db2.gz BBARLGRWKLTYMZ-LLVKDONJSA-N 0 0 324.768 0.796 10 0 DCAERN CC(C)Nc1ncccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148104 271944412 /nfs/dbraw/zinc/94/44/12/271944412.db2.gz SULAUGVFKFXIEC-NSHDSACASA-N 0 0 304.354 0.284 10 0 DCAERN C[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148692 271944774 /nfs/dbraw/zinc/94/47/74/271944774.db2.gz TZMQBGOEFQUUAZ-RISCZKNCSA-N 0 0 306.341 0.773 10 0 DCAERN CC(C)Oc1ncccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459367907 271993799 /nfs/dbraw/zinc/99/37/99/271993799.db2.gz VRCZKZOBOHHOPP-NSHDSACASA-N 0 0 320.353 0.643 10 0 DCAERN CCOc1ccc(CN(C)C(=O)C(=O)N(C)CCCO)cc1 ZINC000459844284 272015120 /nfs/dbraw/zinc/01/51/20/272015120.db2.gz FCYMOBLDUYZFIP-UHFFFAOYSA-N 0 0 308.378 0.885 10 0 DCAERN CCCN(CC1CC1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000459843148 272015807 /nfs/dbraw/zinc/01/58/07/272015807.db2.gz ZWKTWLDRIXIGIV-AWEZNQCLSA-N 0 0 309.410 0.178 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000471695424 272029873 /nfs/dbraw/zinc/02/98/73/272029873.db2.gz ZCBNLGZODSMECC-RYUDHWBXSA-N 0 0 320.345 0.829 10 0 DCAERN CO[C@@H](C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1)C(C)C ZINC000471845684 272031901 /nfs/dbraw/zinc/03/19/01/272031901.db2.gz NYCJSRZEALJPKN-CQSZACIVSA-N 0 0 321.425 0.862 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(CC)ccn1 ZINC000487114664 272038102 /nfs/dbraw/zinc/03/81/02/272038102.db2.gz QCTNTUZFDGMQSO-WDEREUQCSA-N 0 0 321.377 0.830 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCS1 ZINC000487152924 272038928 /nfs/dbraw/zinc/03/89/28/272038928.db2.gz LECCZCVNQZEMRU-DCAQKATOSA-N 0 0 316.423 0.845 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCOCC(C)C ZINC000488844422 272052209 /nfs/dbraw/zinc/05/22/09/272052209.db2.gz XEPNSQJOPYQBKT-GFCCVEGCSA-N 0 0 306.428 0.589 10 0 DCAERN CCOC[C@H](C)NC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000489049537 272056586 /nfs/dbraw/zinc/05/65/86/272056586.db2.gz GJFNEHJZGZBEPN-NSHDSACASA-N 0 0 311.386 0.630 10 0 DCAERN Cc1c(S(=O)(=O)NCC[C@H](O)C(F)(F)F)cnn1C ZINC000489482713 272062567 /nfs/dbraw/zinc/06/25/67/272062567.db2.gz RMEZOVXMCWLCSU-QMMMGPOBSA-N 0 0 301.290 0.320 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)C1CC1 ZINC000490645974 272078599 /nfs/dbraw/zinc/07/85/99/272078599.db2.gz QQVLRMUXISKLAZ-CQSZACIVSA-N 0 0 319.361 0.495 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccncc1 ZINC000492274240 272120208 /nfs/dbraw/zinc/12/02/08/272120208.db2.gz MCKKOSXNTLDGAA-GHMZBOCLSA-N 0 0 322.365 0.337 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000532082665 272778357 /nfs/dbraw/zinc/77/83/57/272778357.db2.gz WGLAOGOCJWSKBY-CHWSQXEVSA-N 0 0 319.409 0.967 10 0 DCAERN Cc1onc(-c2ccccn2)c1C(=O)N(C)Cc1nnnn1C ZINC000532507596 272788927 /nfs/dbraw/zinc/78/89/27/272788927.db2.gz OGUGYMFMHZQXFL-UHFFFAOYSA-N 0 0 313.321 0.841 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000158948790 287670704 /nfs/dbraw/zinc/67/07/04/287670704.db2.gz RRRKAJYIZZAJCO-MWLCHTKSSA-N 0 0 316.361 0.593 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000528481729 287714681 /nfs/dbraw/zinc/71/46/81/287714681.db2.gz AITLTCDSMJKLSY-UONOGXRCSA-N 0 0 313.375 0.707 10 0 DCAERN CC(=O)c1ccc(CNC(=O)[C@@H](O)C2CCOCC2)nc1C ZINC000537467835 287865691 /nfs/dbraw/zinc/86/56/91/287865691.db2.gz RKHKKSTXZBEGOK-HNNXBMFYSA-N 0 0 306.362 0.996 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000541599048 287922404 /nfs/dbraw/zinc/92/24/04/287922404.db2.gz NKOCWKFKQIPQGS-UHFFFAOYSA-N 0 0 321.768 1.000 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCc3ccccc3[C@H]2CO)CCC1=O ZINC000130700522 276978329 /nfs/dbraw/zinc/97/83/29/276978329.db2.gz LSHHDKZMPXCFIJ-DZGCQCFKSA-N 0 0 317.389 0.909 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000328766881 277016141 /nfs/dbraw/zinc/01/61/41/277016141.db2.gz HKOORNYRFIKUCS-ARFHVFGLSA-N 0 0 318.373 0.568 10 0 DCAERN CC(C)(C)NC(=O)CN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000248169306 277166222 /nfs/dbraw/zinc/16/62/22/277166222.db2.gz QXIYNDAHMXHOQI-UHFFFAOYSA-N 0 0 318.421 0.822 10 0 DCAERN COCCN1CCN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000117291817 277223502 /nfs/dbraw/zinc/22/35/02/277223502.db2.gz LXALMVKLPAOJPI-ZDUSSCGKSA-N 0 0 311.426 0.424 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)CCN2CCCS2(=O)=O)n1 ZINC000544107992 287971395 /nfs/dbraw/zinc/97/13/95/287971395.db2.gz PTNDBEHMXATKIG-UHFFFAOYSA-N 0 0 315.399 0.397 10 0 DCAERN O=C(CNC(=O)[C@@H]1CCCCS1(=O)=O)NC1CCCCC1 ZINC000544379745 287974470 /nfs/dbraw/zinc/97/44/70/287974470.db2.gz XPQHNUFCICKYLW-LBPRGKRZSA-N 0 0 316.423 0.519 10 0 DCAERN CC(C)[C@@H](C(=O)N1CC(n2ccnn2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000378532264 277713254 /nfs/dbraw/zinc/71/32/54/277713254.db2.gz KTJKKTXAQTUMSU-NFAWXSAZSA-N 0 0 321.425 0.795 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193925378 277772407 /nfs/dbraw/zinc/77/24/07/277772407.db2.gz VFXJOMXHVRVIHC-RKDXNWHRSA-N 0 0 308.313 0.272 10 0 DCAERN O=C(N[C@H](CCO)C1CCOCC1)c1cccc2ncnn21 ZINC000545186837 287987434 /nfs/dbraw/zinc/98/74/34/287987434.db2.gz BTLTZTOTTSUUEV-GFCCVEGCSA-N 0 0 304.350 0.637 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCn3ccnc32)C[C@H]1N1CCOCC1 ZINC000245415363 287998614 /nfs/dbraw/zinc/99/86/14/287998614.db2.gz GBANHJNCHBZVNP-QLFBSQMISA-N 0 0 318.421 0.940 10 0 DCAERN CC(=O)N(C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C1CC1 ZINC000333053431 277972951 /nfs/dbraw/zinc/97/29/51/277972951.db2.gz QVJGQYAMDZNDRU-JKSUJKDBSA-N 0 0 321.421 0.999 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC3(C2)CCOCC3)C1 ZINC000408051560 278017504 /nfs/dbraw/zinc/01/75/04/278017504.db2.gz IEDZHLMWRFKVDB-INIZCTEOSA-N 0 0 310.394 0.389 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCSC[C@@H](C)C2)C1 ZINC000408056037 278017935 /nfs/dbraw/zinc/01/79/35/278017935.db2.gz BZICBABPPDWLLG-FZMZJTMJSA-N 0 0 300.424 0.571 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@H](C(C)(C)C)C2)C1 ZINC000408058031 278018017 /nfs/dbraw/zinc/01/80/17/278018017.db2.gz DXHREJNBDRLJSR-BBRMVZONSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CC(F)(F)F)C(C)(C)C1 ZINC000408316831 278042453 /nfs/dbraw/zinc/04/24/53/278042453.db2.gz SZPZFILYIDAAQW-UHFFFAOYSA-N 0 0 302.318 0.821 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C(C)(C)C1 ZINC000190406572 278042851 /nfs/dbraw/zinc/04/28/51/278042851.db2.gz XFUWBRQUVFMJRU-PWSUYJOCSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000280676778 278068102 /nfs/dbraw/zinc/06/81/02/278068102.db2.gz ADWKBISGNOXHLQ-NWANDNLSSA-N 0 0 305.378 0.670 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)no1 ZINC000546025358 288012773 /nfs/dbraw/zinc/01/27/73/288012773.db2.gz WPHVMKXAJYDLGU-LURJTMIESA-N 0 0 314.289 0.907 10 0 DCAERN CN1CN(C(=O)NCc2cccc(Cn3ccnc3)c2)CC1=O ZINC000546610635 288021695 /nfs/dbraw/zinc/02/16/95/288021695.db2.gz LSUAJZJCMXQVMY-UHFFFAOYSA-N 0 0 313.361 0.873 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@@H](C)O1 ZINC000292348619 288039397 /nfs/dbraw/zinc/03/93/97/288039397.db2.gz PQFHQNBSDJLFHL-NXEZZACHSA-N 0 0 317.345 0.618 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177617127 278568962 /nfs/dbraw/zinc/56/89/62/278568962.db2.gz MGVPDZGCXQIYHG-ZJUUUORDSA-N 0 0 309.395 0.541 10 0 DCAERN CCn1cc(-c2n[nH]cc2C(=O)N(C)Cc2nnnn2C)cn1 ZINC000547659896 288066156 /nfs/dbraw/zinc/06/61/56/288066156.db2.gz LJBQFNYSIMSIIV-UHFFFAOYSA-N 0 0 315.341 0.089 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407982390 278833987 /nfs/dbraw/zinc/83/39/87/278833987.db2.gz HPKFSGWBDWTIIH-NSHDSACASA-N 0 0 303.428 0.610 10 0 DCAERN O=C(c1ccc(OC(F)F)cn1)N1CCN2CCOC[C@@H]2C1 ZINC000547810866 288081893 /nfs/dbraw/zinc/08/18/93/288081893.db2.gz KFILRYVFEVMEAU-JTQLQIEISA-N 0 0 313.304 0.840 10 0 DCAERN Cc1csc(NC(=O)CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 ZINC000372736070 279043362 /nfs/dbraw/zinc/04/33/62/279043362.db2.gz GLQBJJKEUOPJRI-NHCYSSNCSA-N 0 0 308.407 0.976 10 0 DCAERN CCOc1cccc([C@H]2C[C@@H]2NC(=O)CN2CCOCC2=O)c1 ZINC000548064112 288108362 /nfs/dbraw/zinc/10/83/62/288108362.db2.gz XBJLOYIRODQHCY-CABCVRRESA-N 0 0 318.373 0.916 10 0 DCAERN CC[C@H](O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000121203776 288110948 /nfs/dbraw/zinc/11/09/48/288110948.db2.gz BSTQZDSUJPARAO-AWEZNQCLSA-N 0 0 306.472 0.588 10 0 DCAERN Cc1noc([C@@H]2Cn3nccc3CN(S(=O)(=O)C3CC3)C2)n1 ZINC000096067210 279256672 /nfs/dbraw/zinc/25/66/72/279256672.db2.gz KIIKZGIYFJZGLT-JTQLQIEISA-N 0 0 323.378 0.666 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000548445643 288143681 /nfs/dbraw/zinc/14/36/81/288143681.db2.gz FPGNWRWDOOIXOR-UHFFFAOYSA-N 0 0 313.379 0.403 10 0 DCAERN COc1ccccc1C1(CNC(=O)CN2CCOCC2=O)CC1 ZINC000548715003 288169867 /nfs/dbraw/zinc/16/98/67/288169867.db2.gz IYSFGKPCPWFSFY-UHFFFAOYSA-N 0 0 318.373 0.702 10 0 DCAERN COC(=O)CCC1CCN(C(=O)COc2cnn(C)c2)CC1 ZINC000548848889 288181881 /nfs/dbraw/zinc/18/18/81/288181881.db2.gz RZDWAHKYCOKEMR-UHFFFAOYSA-N 0 0 309.366 0.991 10 0 DCAERN NC(=O)C(=O)Nc1cccc(NC(=O)c2cn3cccnc3n2)c1 ZINC000548912410 288186874 /nfs/dbraw/zinc/18/68/74/288186874.db2.gz OBBUNACQOJRXEC-UHFFFAOYSA-N 0 0 324.300 0.405 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2CCCS2(=O)=O)C[C@@]12CCCO2 ZINC000329465579 280041774 /nfs/dbraw/zinc/04/17/74/280041774.db2.gz RKUXAILFYQBHJX-KBPBESRZSA-N 0 0 316.423 0.438 10 0 DCAERN COc1cnc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000551196910 288224990 /nfs/dbraw/zinc/22/49/90/288224990.db2.gz CTQFMFHABZLGRM-DGCLKSJQSA-N 0 0 306.366 0.278 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408459135 280363610 /nfs/dbraw/zinc/36/36/10/280363610.db2.gz XBIADCJSORRLEI-UTUOFQBUSA-N 0 0 304.412 0.340 10 0 DCAERN CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552703423 288279132 /nfs/dbraw/zinc/27/91/32/288279132.db2.gz YUXKRGMOUNMLMS-UHFFFAOYSA-N 0 0 317.349 0.161 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N[C@@H]3CCC(=O)N(C)C3)cnc2n1 ZINC000132336412 281049318 /nfs/dbraw/zinc/04/93/18/281049318.db2.gz OCULHUNTZWWKTQ-SNVBAGLBSA-N 0 0 314.345 0.994 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CC2CCC2)CCN1C[C@H](C)O ZINC000408088303 281172273 /nfs/dbraw/zinc/17/22/73/281172273.db2.gz ITZHGIMCAGXGNY-JSGCOSHPSA-N 0 0 304.456 0.893 10 0 DCAERN CC1(C)CN(CC(=O)NCC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000366562295 281232199 /nfs/dbraw/zinc/23/21/99/281232199.db2.gz ABRAOWULBPCGSA-GFCCVEGCSA-N 0 0 310.316 0.935 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000373681416 281252741 /nfs/dbraw/zinc/25/27/41/281252741.db2.gz LYLGISZKMVRCMD-CQSZACIVSA-N 0 0 318.439 0.987 10 0 DCAERN CCc1nsc(N2CCN([C@H]3CCCCNC3=O)CC2)n1 ZINC000128737399 281576871 /nfs/dbraw/zinc/57/68/71/281576871.db2.gz HUBKMALFIXUGBD-NSHDSACASA-N 0 0 309.439 0.891 10 0 DCAERN CCC(=O)N1CCC2(CC[C@@H](COC)N2S(C)(=O)=O)CC1 ZINC000096207159 281858587 /nfs/dbraw/zinc/85/85/87/281858587.db2.gz WHXXYGHPUCJXLW-LBPRGKRZSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408056712 288478770 /nfs/dbraw/zinc/47/87/70/288478770.db2.gz KRGJCORGJPDSIT-HOTGVXAUSA-N 0 0 312.410 0.371 10 0 DCAERN CN1CCOC[C@H]1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000560360525 288494831 /nfs/dbraw/zinc/49/48/31/288494831.db2.gz XBHCVGADHNYQCK-OLZOCXBDSA-N 0 0 306.362 0.663 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740456 288517572 /nfs/dbraw/zinc/51/75/72/288517572.db2.gz ZFHKMBPMGWVXAG-OLZOCXBDSA-N 0 0 308.382 0.121 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)C[C@H]2C)on1 ZINC000561954790 288554366 /nfs/dbraw/zinc/55/43/66/288554366.db2.gz GJDPQCJAYVFFHQ-SNVBAGLBSA-N 0 0 301.368 0.354 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000073437027 288934613 /nfs/dbraw/zinc/93/46/13/288934613.db2.gz SPHYPEWZRHCZLP-UHFFFAOYSA-N 0 0 317.455 0.907 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246741170 289082694 /nfs/dbraw/zinc/08/26/94/289082694.db2.gz QQLSXLLZXMUNJE-GYSYKLTISA-N 0 0 324.402 0.701 10 0 DCAERN CN(CC(C)(C)O)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000189964974 289516282 /nfs/dbraw/zinc/51/62/82/289516282.db2.gz YSDUSXZWXKEOEL-UHFFFAOYSA-N 0 0 323.397 0.951 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1=O ZINC000189779079 289931961 /nfs/dbraw/zinc/93/19/61/289931961.db2.gz HLMPZTMAUFCORV-NSHDSACASA-N 0 0 321.343 0.951 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000245495827 290073970 /nfs/dbraw/zinc/07/39/70/290073970.db2.gz QFOSOWPAOBGUEV-LSDHHAIUSA-N 0 0 311.426 0.030 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000174530337 290075867 /nfs/dbraw/zinc/07/58/67/290075867.db2.gz XZSQLUQHTPRZSM-CHWSQXEVSA-N 0 0 324.402 0.352 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864501 290113149 /nfs/dbraw/zinc/11/31/49/290113149.db2.gz GCVBOBYMEZVIPW-OLZOCXBDSA-N 0 0 304.346 0.960 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)sc1C ZINC000193324597 293310397 /nfs/dbraw/zinc/31/03/97/293310397.db2.gz ZZHIKYVPSSDMMS-OIBJUYFYSA-N 0 0 324.406 0.811 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)[C@H](C)CO1 ZINC000408088511 297042615 /nfs/dbraw/zinc/04/26/15/297042615.db2.gz JJENJQSIPZYURT-GHMZBOCLSA-N 0 0 319.427 0.070 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)[C@@H](C)CO1 ZINC000408091983 297049487 /nfs/dbraw/zinc/04/94/87/297049487.db2.gz WKIJYHWLZDMKKT-WUHRBBMRSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)[C@@H](C)CO1 ZINC000408007407 297058521 /nfs/dbraw/zinc/05/85/21/297058521.db2.gz HWFLSIVUSQOBNE-UMSGYPCISA-N 0 0 306.428 0.481 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cnn3c2CCCC3)cn1 ZINC000181439553 294282901 /nfs/dbraw/zinc/28/29/01/294282901.db2.gz OXILEZJDSPTHJM-HNNXBMFYSA-N 0 0 314.393 0.740 10 0 DCAERN Cn1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1=O ZINC000110953236 294332282 /nfs/dbraw/zinc/33/22/82/294332282.db2.gz UQHGGUODYQIFMF-OAHLLOKOSA-N 0 0 319.405 0.712 10 0 DCAERN NC(=O)N1CCCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000408124461 295062565 /nfs/dbraw/zinc/06/25/65/295062565.db2.gz PQBGRVRLXBJHPL-NSHDSACASA-N 0 0 323.422 0.725 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccccc1C(F)(F)F ZINC000091779721 295118941 /nfs/dbraw/zinc/11/89/41/295118941.db2.gz RKWNUDLFWIWXEA-NSHDSACASA-N 0 0 316.279 0.961 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1c1ccc(C(=O)NC2CCCC2)nn1 ZINC000284596591 295126381 /nfs/dbraw/zinc/12/63/81/295126381.db2.gz PKBDFQGXKPGWMJ-SKDRFNHKSA-N 0 0 321.356 0.551 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000092421367 295159829 /nfs/dbraw/zinc/15/98/29/295159829.db2.gz CJGFNGOBPKVMEQ-GFCCVEGCSA-N 0 0 311.769 0.142 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CCO[C@]2(CCOC2)C1 ZINC000302221991 295344350 /nfs/dbraw/zinc/34/43/50/295344350.db2.gz OHXDBNTWVGKZNE-CQSZACIVSA-N 0 0 302.338 0.240 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)NCCC(N)=O)C1 ZINC000177330161 295371877 /nfs/dbraw/zinc/37/18/77/295371877.db2.gz YZALKMKYQUOQRB-NSHDSACASA-N 0 0 306.366 0.449 10 0 DCAERN Nc1ncnc(N2CCN([C@H]3CCCCNC3=O)CC2)c1Cl ZINC000365495796 295374445 /nfs/dbraw/zinc/37/44/45/295374445.db2.gz DXBLCMLXCCLNEI-JTQLQIEISA-N 0 0 324.816 0.503 10 0 DCAERN CS(=O)(=O)CCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000114471743 295501927 /nfs/dbraw/zinc/50/19/27/295501927.db2.gz AWOARXDEAJGHSF-SECBINFHSA-N 0 0 303.409 0.591 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000408208945 297783876 /nfs/dbraw/zinc/78/38/76/297783876.db2.gz YJQYIPCKNZWOIH-XFQCAGDASA-N 0 0 301.412 0.158 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000068097704 300033697 /nfs/dbraw/zinc/03/36/97/300033697.db2.gz KQKGHZROSQSBCZ-WDEREUQCSA-N 0 0 323.418 0.933 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@H]2CCCOC2)CC2(CCOCC2)O1 ZINC000333317048 300285959 /nfs/dbraw/zinc/28/59/59/300285959.db2.gz OTBWZWJYPUHUJZ-STQMWFEESA-N 0 0 319.423 0.765 10 0 DCAERN C[C@H]1CN([C@H](CNS(N)(=O)=O)c2cccs2)CCO1 ZINC000248358274 300293412 /nfs/dbraw/zinc/29/34/12/300293412.db2.gz QPNYAHRSPFNPSV-VHSXEESVSA-N 0 0 305.425 0.303 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1(Cl)Cl ZINC000194999594 300750832 /nfs/dbraw/zinc/75/08/32/300750832.db2.gz WGQFYLYDAPUFAF-GHMZBOCLSA-N 0 0 320.176 0.771 10 0 DCAERN Cc1ccn(C)c1C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000376292279 302252863 /nfs/dbraw/zinc/25/28/63/302252863.db2.gz ZHJJNZFZQUNNSK-CQSZACIVSA-N 0 0 318.421 0.760 10 0 DCAERN Cc1ccncc1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000333701017 302293749 /nfs/dbraw/zinc/29/37/49/302293749.db2.gz OBUCPCTZJFQVAQ-LBPRGKRZSA-N 0 0 309.391 0.870 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(F)(F)CO ZINC000184995843 302743707 /nfs/dbraw/zinc/74/37/07/302743707.db2.gz QWSLWQODNKTHJX-QMMMGPOBSA-N 0 0 304.341 0.895 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cscc1Br ZINC000285786502 303334313 /nfs/dbraw/zinc/33/43/13/303334313.db2.gz KMMXUFQSCQVUGB-MRVPVSSYSA-N 0 0 319.180 0.837 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000375088747 303729783 /nfs/dbraw/zinc/72/97/83/303729783.db2.gz GEMKNEUITJFTJI-OLZOCXBDSA-N 0 0 308.378 0.799 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332816062 332877827 /nfs/dbraw/zinc/87/78/27/332877827.db2.gz DKMFCGCHILNISF-SYLRKERUSA-N 0 0 301.408 0.883 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CCNC2=O)[C@@]12CCCO2 ZINC000332860893 332887976 /nfs/dbraw/zinc/88/79/76/332887976.db2.gz VWAGNWWKYUDQQK-OHTBPHCPSA-N 0 0 311.382 0.243 10 0 DCAERN C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCS1(=O)=O ZINC000172372054 332670220 /nfs/dbraw/zinc/67/02/20/332670220.db2.gz DHZWKEUKEIMOIN-LLVKDONJSA-N 0 0 318.439 0.574 10 0 DCAERN C[C@@H](CN1C(=O)N[C@@H](CCOC(C)(C)C)C1=O)S(C)(=O)=O ZINC000570471530 332759379 /nfs/dbraw/zinc/75/93/79/332759379.db2.gz JSDSNBSECHMNGM-UWVGGRQHSA-N 0 0 320.411 0.545 10 0 DCAERN COCCN1CN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1=O ZINC000580217629 333017313 /nfs/dbraw/zinc/01/73/13/333017313.db2.gz UOHQTURNAAZHMQ-SNVBAGLBSA-N 0 0 309.370 0.107 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643007 336011108 /nfs/dbraw/zinc/01/11/08/336011108.db2.gz DUERDIZWBYOAHY-TZMCWYRMSA-N 0 0 321.425 0.817 10 0 DCAERN CCN1CN(C(=O)CCNC(=O)Cc2ccccc2)CC1=O ZINC000190580233 336264193 /nfs/dbraw/zinc/26/41/93/336264193.db2.gz YDSHLJKBOOSUEV-UHFFFAOYSA-N 0 0 303.362 0.384 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000584447690 337339933 /nfs/dbraw/zinc/33/99/33/337339933.db2.gz WFTDPCBBMOZQKY-NSHDSACASA-N 0 0 318.395 0.253 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)C1 ZINC000583853790 337343643 /nfs/dbraw/zinc/34/36/43/337343643.db2.gz WWQGPUVMQUKXIQ-NVXWUHKLSA-N 0 0 320.364 0.791 10 0 DCAERN COC(=O)c1[nH]c(=O)[nH]c(=O)c1CS(=O)(=O)c1ccccc1 ZINC000584654657 337377855 /nfs/dbraw/zinc/37/78/55/337377855.db2.gz MXHVCCAXBZSCKN-UHFFFAOYSA-N 0 0 324.314 0.648 10 0 DCAERN Nc1ncc(-c2ccccc2Cl)nc1C(=O)NC(CO)CO ZINC000584662190 337378371 /nfs/dbraw/zinc/37/83/71/337378371.db2.gz RMJUWYUSUXBXQN-UHFFFAOYSA-N 0 0 322.752 0.462 10 0 DCAERN O=C(Nc1cccnc1N1CCCCC1)C(=O)NC1(CO)CC1 ZINC000576729166 341860465 /nfs/dbraw/zinc/86/04/65/341860465.db2.gz MHZAJYFRGAXTKN-UHFFFAOYSA-N 0 0 318.377 0.652 10 0 DCAERN Cn1cc([C@H](NC(=O)NCc2nnn(C)n2)C(F)(F)F)cn1 ZINC000577009314 341876607 /nfs/dbraw/zinc/87/66/07/341876607.db2.gz IWYHIQPPLMCPRJ-QMMMGPOBSA-N 0 0 318.263 0.046 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)nc1 ZINC000577050977 341880947 /nfs/dbraw/zinc/88/09/47/341880947.db2.gz UWLVQIJKPFQDAQ-CYBMUJFWSA-N 0 0 306.366 0.316 10 0 DCAERN O=C([C@@H]1CCC(=O)c2cccn21)N1CCN2CCOC[C@H]2C1 ZINC000577452080 341910231 /nfs/dbraw/zinc/91/02/31/341910231.db2.gz KSCGYYJBNFLUFL-OCCSQVGLSA-N 0 0 303.362 0.549 10 0 DCAERN CCCCN(C)C(=O)C[S@@](=O)C[C@H](C)CS(C)(=O)=O ZINC000154634765 520381737 /nfs/dbraw/zinc/38/17/37/520381737.db2.gz UOOYMYZHFRNVIK-BBATYDOGSA-N 0 0 311.469 0.674 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000294625744 533993248 /nfs/dbraw/zinc/99/32/48/533993248.db2.gz JKMGUKJCCXWQTO-STQMWFEESA-N 0 0 307.350 0.346 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)CNC(=O)c1cccnc1 ZINC000127260708 518987210 /nfs/dbraw/zinc/98/72/10/518987210.db2.gz XCGIHCPRISBHLN-NRFANRHFSA-N 0 0 311.407 0.475 10 0 DCAERN CC(C)(CNC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(F)c1 ZINC000161704684 519243188 /nfs/dbraw/zinc/24/31/88/519243188.db2.gz KSNILPUZRVAACX-NSHDSACASA-N 0 0 307.325 0.818 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(Oc3cnccn3)CC2)C1 ZINC000365957339 519485822 /nfs/dbraw/zinc/48/58/22/519485822.db2.gz WNIATPKZBATXGY-UHFFFAOYSA-N 0 0 304.350 0.325 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000190319081 519648470 /nfs/dbraw/zinc/64/84/70/519648470.db2.gz ORIYTSDGBOVXRH-LLVKDONJSA-N 0 0 320.397 0.246 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000188548571 519649262 /nfs/dbraw/zinc/64/92/62/519649262.db2.gz WLOWZGLZLNUNOC-UHFFFAOYSA-N 0 0 320.374 0.381 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000156576298 519659450 /nfs/dbraw/zinc/65/94/50/519659450.db2.gz XIFISNGJFMAFNH-GFCCVEGCSA-N 0 0 322.413 0.542 10 0 DCAERN CCCN1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1=O ZINC000190207249 519849641 /nfs/dbraw/zinc/84/96/41/519849641.db2.gz YSHOOLQBXPIXPF-GFCCVEGCSA-N 0 0 320.397 0.767 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000156431693 519876123 /nfs/dbraw/zinc/87/61/23/519876123.db2.gz IXQSLDCTGYIQHR-NSHDSACASA-N 0 0 321.381 0.266 10 0 DCAERN CCN(C(=O)c1ccc2nnn(C)c2c1)[C@H](C)CS(C)(=O)=O ZINC000183965019 520095608 /nfs/dbraw/zinc/09/56/08/520095608.db2.gz FGXSCEROJIRJQC-SNVBAGLBSA-N 0 0 324.406 0.864 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccnn1C ZINC000184863380 520205142 /nfs/dbraw/zinc/20/51/42/520205142.db2.gz NASVZLPGJMZZNQ-LBPRGKRZSA-N 0 0 310.423 0.733 10 0 DCAERN CCNc1ncc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000129034518 520363745 /nfs/dbraw/zinc/36/37/45/520363745.db2.gz KZCNRCKSTJTKME-MRVPVSSYSA-N 0 0 318.424 0.339 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)c1 ZINC000178805926 534499551 /nfs/dbraw/zinc/49/95/51/534499551.db2.gz GTBSOURIBOYKCB-PWSUYJOCSA-N 0 0 312.391 0.615 10 0 DCAERN CCCCOC[C@@H](O)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000193383214 520799360 /nfs/dbraw/zinc/79/93/60/520799360.db2.gz RPEYLHHOAQGTPK-KGLIPLIRSA-N 0 0 323.393 0.515 10 0 DCAERN CCOc1ccc(OC[C@@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191728457 521178880 /nfs/dbraw/zinc/17/88/80/521178880.db2.gz KLNIDYKSJLLSMN-AWEZNQCLSA-N 0 0 308.378 0.645 10 0 DCAERN CCCc1nccn1CC(=O)N(C)CC(=O)N1CCOCC1 ZINC000158144486 521554880 /nfs/dbraw/zinc/55/48/80/521554880.db2.gz YEDDGUWUACAMJU-UHFFFAOYSA-N 0 0 308.382 0.153 10 0 DCAERN CCOC1CC(CCNC(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000364494377 521641725 /nfs/dbraw/zinc/64/17/25/521641725.db2.gz XINBRQGWSVRQQS-SHARSMKWSA-N 0 0 311.426 0.918 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1CCc1ccccn1)N1CCOCC1 ZINC000299745623 534599770 /nfs/dbraw/zinc/59/97/70/534599770.db2.gz RLTYGPPBMFJSDJ-HIFRSBDPSA-N 0 0 307.369 0.895 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC(CO)CO ZINC000119471492 521971156 /nfs/dbraw/zinc/97/11/56/521971156.db2.gz NZIDTADAZZULDD-FZMZJTMJSA-N 0 0 308.378 0.301 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000189845571 522356557 /nfs/dbraw/zinc/35/65/57/522356557.db2.gz WJQKZIFYIQPDOB-WDEREUQCSA-N 0 0 310.350 0.593 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)C(=O)NC ZINC000129433293 522517263 /nfs/dbraw/zinc/51/72/63/522517263.db2.gz BITNPHJERKQDIP-SNVBAGLBSA-N 0 0 322.413 0.747 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(F)(F)C1(O)CCC1)CC2 ZINC000159265980 522518999 /nfs/dbraw/zinc/51/89/99/522518999.db2.gz UKYYXLZWTSQDPN-VIFPVBQESA-N 0 0 314.336 0.822 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2cc(F)ccc2F)C1 ZINC000185377802 522758014 /nfs/dbraw/zinc/75/80/14/522758014.db2.gz CBEBSDUFLJWGRK-UHFFFAOYSA-N 0 0 313.304 0.621 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@](C)(O)[C@H](C)c2ccccc2)C1 ZINC000189199679 522762632 /nfs/dbraw/zinc/76/26/32/522762632.db2.gz JFZCKUZUABHJPK-SJKOYZFVSA-N 0 0 320.389 0.515 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000189450755 522996460 /nfs/dbraw/zinc/99/64/60/522996460.db2.gz GNRWVPUJICNGPU-CQSZACIVSA-N 0 0 323.368 0.679 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000128093997 523044882 /nfs/dbraw/zinc/04/48/82/523044882.db2.gz MSVSVBMNFUADTK-UHFFFAOYSA-N 0 0 306.366 0.791 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ncccc1O ZINC000132023173 523220455 /nfs/dbraw/zinc/22/04/55/523220455.db2.gz OVDOJQYTKQTEDO-VIFPVBQESA-N 0 0 303.322 0.790 10 0 DCAERN CCn1cc([C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)cn1 ZINC000190764387 523467750 /nfs/dbraw/zinc/46/77/50/523467750.db2.gz ACTKTVDBOLTYIL-GJZGRUSLSA-N 0 0 305.382 0.534 10 0 DCAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000158500759 523631182 /nfs/dbraw/zinc/63/11/82/523631182.db2.gz GPULEGKLODJTTL-LDYMZIIASA-N 0 0 320.271 0.500 10 0 DCAERN CN(C(=O)C(=O)NC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000115378636 523775461 /nfs/dbraw/zinc/77/54/61/523775461.db2.gz WKVZHEGROHFAPR-ZDUSSCGKSA-N 0 0 301.346 0.529 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000249352630 523809671 /nfs/dbraw/zinc/80/96/71/523809671.db2.gz KPLZAGODLUYTJP-AVGNSLFASA-N 0 0 309.366 0.586 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000188208894 523829552 /nfs/dbraw/zinc/82/95/52/523829552.db2.gz AYVWEOYMOMZEJA-LLVKDONJSA-N 0 0 321.786 0.790 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967356 523938179 /nfs/dbraw/zinc/93/81/79/523938179.db2.gz KBDXPBCRGBSZCT-LBPRGKRZSA-N 0 0 312.801 0.907 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126688408 523939073 /nfs/dbraw/zinc/93/90/73/523939073.db2.gz MIMROCVTOBZRQN-JSGCOSHPSA-N 0 0 313.423 0.585 10 0 DCAERN COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(OC)cc2OC)CN1 ZINC000365097025 523988810 /nfs/dbraw/zinc/98/88/10/523988810.db2.gz CLPJJHCLEQBULC-JOYOIKCWSA-N 0 0 308.334 0.337 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1=O ZINC000188872759 524009405 /nfs/dbraw/zinc/00/94/05/524009405.db2.gz YQQGWEWIMKOWLB-ZDUSSCGKSA-N 0 0 322.409 0.261 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)CCC1=O ZINC000162907916 524022424 /nfs/dbraw/zinc/02/24/24/524022424.db2.gz MKOYKXUWUWNDRS-GFCCVEGCSA-N 0 0 305.382 0.850 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000186204027 524051947 /nfs/dbraw/zinc/05/19/47/524051947.db2.gz DPFWXMHEDFIBLL-CHWSQXEVSA-N 0 0 316.357 0.766 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1sc(C)nc1C ZINC000176917964 524082606 /nfs/dbraw/zinc/08/26/06/524082606.db2.gz UFRUGIFNGLGALO-VIFPVBQESA-N 0 0 303.409 0.659 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000182913814 524669073 /nfs/dbraw/zinc/66/90/73/524669073.db2.gz YOEDQSMIVORICV-IWEMQMMOSA-N 0 0 309.434 0.648 10 0 DCAERN C[C@H]1CN(c2ccc(CNC(=O)N3CC(CO)C3)cn2)CCO1 ZINC000190918897 524669609 /nfs/dbraw/zinc/66/96/09/524669609.db2.gz RYWISIRHZZSNIA-LBPRGKRZSA-N 0 0 320.393 0.440 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)C2)[nH]n1 ZINC000124346521 524822141 /nfs/dbraw/zinc/82/21/41/524822141.db2.gz BGHHFCMBYDNEEX-MWLCHTKSSA-N 0 0 314.411 0.478 10 0 DCAERN COc1ccnc(N2CCN(C(=O)c3nnc(C)s3)CC2)n1 ZINC000185376382 524843116 /nfs/dbraw/zinc/84/31/16/524843116.db2.gz CIILMKFTIDPJPO-UHFFFAOYSA-N 0 0 320.378 0.608 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000182913797 524871389 /nfs/dbraw/zinc/87/13/89/524871389.db2.gz YOEDQSMIVORICV-BWKAKNAASA-N 0 0 309.434 0.648 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000158196812 524984242 /nfs/dbraw/zinc/98/42/42/524984242.db2.gz VHQSZSWPVUVSFC-RXMQYKEDSA-N 0 0 307.232 0.163 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCn2cccn2)[C@@H](C)CO1 ZINC000246191295 525045248 /nfs/dbraw/zinc/04/52/48/525045248.db2.gz OAYGIQAHDCOVLJ-NWDGAFQWSA-N 0 0 302.400 0.217 10 0 DCAERN C[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCS1(=O)=O ZINC000247171054 525055267 /nfs/dbraw/zinc/05/52/67/525055267.db2.gz UCJKXGFNUZXFHA-TZMCWYRMSA-N 0 0 310.419 0.935 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000124864196 525122485 /nfs/dbraw/zinc/12/24/85/525122485.db2.gz SYSHSVVJHMHFMJ-UHFFFAOYSA-N 0 0 314.411 0.349 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000192586592 525213077 /nfs/dbraw/zinc/21/30/77/525213077.db2.gz GBCPMZRZKCBSEV-STQMWFEESA-N 0 0 323.418 0.652 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2C[C@@H]3CCC[C@H]3C2)C1=O ZINC000247282607 525237080 /nfs/dbraw/zinc/23/70/80/525237080.db2.gz KJUSPPRSNYVUAZ-XMZIXOGTSA-N 0 0 305.378 0.965 10 0 DCAERN C[S@](=O)CCC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000155835476 525381121 /nfs/dbraw/zinc/38/11/21/525381121.db2.gz NVQDYMCAEAVPKG-RNODOKPDSA-N 0 0 302.440 0.326 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)c2n1 ZINC000131526371 525619415 /nfs/dbraw/zinc/61/94/15/525619415.db2.gz HQRKHCRHGLMBIF-CHWSQXEVSA-N 0 0 313.361 0.921 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)o1 ZINC000116944138 525702563 /nfs/dbraw/zinc/70/25/63/525702563.db2.gz WDKGZYPMNGSVKE-MNOVXSKESA-N 0 0 315.395 0.982 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000247373247 526064817 /nfs/dbraw/zinc/06/48/17/526064817.db2.gz UZPGFXAGCXTMSC-MCIONIFRSA-N 0 0 307.398 0.599 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1csc(S(C)(=O)=O)c1 ZINC000188882736 526202870 /nfs/dbraw/zinc/20/28/70/526202870.db2.gz QOJZNUIIXDZBTB-MRVPVSSYSA-N 0 0 316.404 0.502 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCN1C(=O)c2ccccc2C1=O ZINC000189300275 526202884 /nfs/dbraw/zinc/20/28/84/526202884.db2.gz AQLAKZPSFQVPCV-LLVKDONJSA-N 0 0 301.346 0.493 10 0 DCAERN COc1cccc(OC)c1CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000121202213 526220757 /nfs/dbraw/zinc/22/07/57/526220757.db2.gz SCJBODOSEFQFME-NSHDSACASA-N 0 0 306.362 0.983 10 0 DCAERN Cc1csc(C2(NS(=O)(=O)N3CCOCC3)CCC2)n1 ZINC000266853354 526326081 /nfs/dbraw/zinc/32/60/81/526326081.db2.gz SIDVCUCFQPNTEN-UHFFFAOYSA-N 0 0 317.436 0.997 10 0 DCAERN O=C(NCCOCC(F)F)N1CCO[C@H](Cn2cccn2)C1 ZINC000190283021 526351224 /nfs/dbraw/zinc/35/12/24/526351224.db2.gz JCLUNSXJNFPPCT-NSHDSACASA-N 0 0 318.324 0.575 10 0 DCAERN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC(CO)CO ZINC000132406076 526387143 /nfs/dbraw/zinc/38/71/43/526387143.db2.gz XXKOAZNIJVFEQS-UHFFFAOYSA-N 0 0 305.374 0.998 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H](F)C[C@H]1CO ZINC000364601070 526524247 /nfs/dbraw/zinc/52/42/47/526524247.db2.gz CNOJXAQOBJOLJP-SRVKXCTJSA-N 0 0 310.325 0.559 10 0 DCAERN Cc1nnc([C@@H]2CN(CCCNC(=O)C(F)(F)F)CCO2)[nH]1 ZINC000154856187 526535721 /nfs/dbraw/zinc/53/57/21/526535721.db2.gz RLVVWFRGPUXTTA-VIFPVBQESA-N 0 0 321.303 0.555 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)C1 ZINC000176685447 526657719 /nfs/dbraw/zinc/65/77/19/526657719.db2.gz CNKCVKDFQZXPNO-ZDUSSCGKSA-N 0 0 309.410 0.620 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)C1 ZINC000176633560 526658055 /nfs/dbraw/zinc/65/80/55/526658055.db2.gz STILJMCOZBIKCS-GJZGRUSLSA-N 0 0 320.393 0.287 10 0 DCAERN O=C(CNC(=O)N1CC(CO)C1)N1CCCc2ccccc21 ZINC000191603849 526835747 /nfs/dbraw/zinc/83/57/47/526835747.db2.gz FNFBDRZZNFKSMZ-UHFFFAOYSA-N 0 0 303.362 0.600 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F ZINC000157868561 527085622 /nfs/dbraw/zinc/08/56/22/527085622.db2.gz MOIHAMILZQPHTM-BXUZGUMPSA-N 0 0 312.272 0.709 10 0 DCAERN O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1CCC(=O)NC1=O ZINC000152172536 527183127 /nfs/dbraw/zinc/18/31/27/527183127.db2.gz RHJKFYXZFPDLMK-CHWSQXEVSA-N 0 0 302.330 0.612 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000267600353 527187864 /nfs/dbraw/zinc/18/78/64/527187864.db2.gz LWHADBNOZWJERH-RYUDHWBXSA-N 0 0 320.397 0.730 10 0 DCAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cnn([C@H]2CCOC2)c1 ZINC000154263372 527235765 /nfs/dbraw/zinc/23/57/65/527235765.db2.gz SBGQVHOFABHSIN-UHTWSYAYSA-N 0 0 315.395 0.426 10 0 DCAERN O=C(Nc1ccccn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000130821007 527437811 /nfs/dbraw/zinc/43/78/11/527437811.db2.gz IYAWVDRBNBPRLC-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000178129562 527478618 /nfs/dbraw/zinc/47/86/18/527478618.db2.gz BMPQOFBBEPOYAV-YPMHNXCESA-N 0 0 307.394 0.513 10 0 DCAERN Cn1cnc(CNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000120269772 527483608 /nfs/dbraw/zinc/48/36/08/527483608.db2.gz XSKGAYCPZTWVOT-JTQLQIEISA-N 0 0 309.370 0.688 10 0 DCAERN O=C(Nc1n[nH]c(SCCO)n1)[C@H]1CCCc2n[nH]cc21 ZINC000155398704 527508450 /nfs/dbraw/zinc/50/84/50/527508450.db2.gz UDYVIMJGLKPRQS-ZETCQYMHSA-N 0 0 308.367 0.671 10 0 DCAERN O=C(NC1CN(C(=O)NCCCn2cccn2)C1)C1CCC1 ZINC000188788933 527541649 /nfs/dbraw/zinc/54/16/49/527541649.db2.gz RVLTZXPJZFIKIC-UHFFFAOYSA-N 0 0 305.382 0.583 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)Nc2cnc(N(C)C)nc2)c1C ZINC000157951773 527599656 /nfs/dbraw/zinc/59/96/56/527599656.db2.gz BGFFTMMGGSSPOZ-UHFFFAOYSA-N 0 0 302.338 0.505 10 0 DCAERN CC(C)C1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000176040552 527604598 /nfs/dbraw/zinc/60/45/98/527604598.db2.gz CQNLHAYCAGOGQC-LLVKDONJSA-N 0 0 303.428 0.756 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)CC1(CO)CC1 ZINC000188973932 527668781 /nfs/dbraw/zinc/66/87/81/527668781.db2.gz NTCZWOMOFVYPMT-UHFFFAOYSA-N 0 0 307.803 0.775 10 0 DCAERN CC(C)[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174439127 527959503 /nfs/dbraw/zinc/95/95/03/527959503.db2.gz YZYGQTXETJEYJV-MRXNPFEDSA-N 0 0 319.361 0.213 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178410105 528007135 /nfs/dbraw/zinc/00/71/35/528007135.db2.gz XRVUZHVMTHNMNO-ZDUSSCGKSA-N 0 0 314.430 0.705 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000183935512 528330550 /nfs/dbraw/zinc/33/05/50/528330550.db2.gz OHIGOCGSYXYVEJ-CHWSQXEVSA-N 0 0 319.471 0.350 10 0 DCAERN CC(C)[C@@H](C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000193948885 528398204 /nfs/dbraw/zinc/39/82/04/528398204.db2.gz HIICFGHKCIFCLU-NSHDSACASA-N 0 0 314.473 0.479 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000330904853 528453440 /nfs/dbraw/zinc/45/34/40/528453440.db2.gz CYRJLHLOQRWJGB-NWDGAFQWSA-N 0 0 305.444 0.700 10 0 DCAERN CCOc1cncc(NCC2CN(S(=O)(=O)CC)C2)n1 ZINC000302517842 528771306 /nfs/dbraw/zinc/77/13/06/528771306.db2.gz AVARXWZYDUDLRF-UHFFFAOYSA-N 0 0 300.384 0.569 10 0 DCAERN CCN1CCCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CC1=O ZINC000188056428 529033893 /nfs/dbraw/zinc/03/38/93/529033893.db2.gz KNPWELRFBDJLPM-CYBMUJFWSA-N 0 0 309.410 0.714 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000176079617 529066423 /nfs/dbraw/zinc/06/64/23/529066423.db2.gz UBIRUTGYLSRNQN-BXKDBHETSA-N 0 0 323.315 0.704 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)NS(C)(=O)=O)CC[S@@]1=O ZINC000186784914 529071650 /nfs/dbraw/zinc/07/16/50/529071650.db2.gz HWSSFHVDGLDTSH-APBUJDDRSA-N 0 0 324.468 0.074 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178425628 529173254 /nfs/dbraw/zinc/17/32/54/529173254.db2.gz HTUKUFLDDUYGOB-DCAQKATOSA-N 0 0 300.403 0.359 10 0 DCAERN CCCc1cc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n2ncnc2n1 ZINC000284656428 535400848 /nfs/dbraw/zinc/40/08/48/535400848.db2.gz VSLOSLYXTRDIIM-NEPJUHHUSA-N 0 0 315.381 0.679 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000284593639 536150475 /nfs/dbraw/zinc/15/04/75/536150475.db2.gz MMFIWSBRRHLGPH-STQMWFEESA-N 0 0 307.398 0.919 10 0 DCAERN CCn1nccc1C(=O)N[C@H]1CCN(c2nccnc2OC)C1 ZINC000065268674 545660022 /nfs/dbraw/zinc/66/00/22/545660022.db2.gz BOCANWBMGGSRKF-NSHDSACASA-N 0 0 316.365 0.710 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc(F)cc1 ZINC000074774916 545671637 /nfs/dbraw/zinc/67/16/37/545671637.db2.gz HKAPEPRPDXUHDB-GFCCVEGCSA-N 0 0 302.371 0.777 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000117799998 545736873 /nfs/dbraw/zinc/73/68/73/545736873.db2.gz PVYMJRXUARNZHN-UONOGXRCSA-N 0 0 309.366 0.164 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccn(-c2cccc(F)c2)n1 ZINC000152154742 545821706 /nfs/dbraw/zinc/82/17/06/545821706.db2.gz PRZSXHZKRRBUNP-NSHDSACASA-N 0 0 316.292 0.546 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000153143597 545830720 /nfs/dbraw/zinc/83/07/20/545830720.db2.gz OJASBFHVWGMBRH-LLVKDONJSA-N 0 0 324.450 0.767 10 0 DCAERN COc1ccnc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000155499728 545845279 /nfs/dbraw/zinc/84/52/79/545845279.db2.gz JQOCHNHWZUVSHE-LBPRGKRZSA-N 0 0 304.306 0.995 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCF ZINC000178076211 545893651 /nfs/dbraw/zinc/89/36/51/545893651.db2.gz ZWYMPBKASOXTLI-VIFPVBQESA-N 0 0 306.334 0.968 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccnc2N2CCCC2)C1 ZINC000178130412 545894171 /nfs/dbraw/zinc/89/41/71/545894171.db2.gz UIIKHQUBHGYHRV-UHFFFAOYSA-N 0 0 302.378 0.890 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2COc3cc(OC)ccc3C2)C1 ZINC000178143374 545894932 /nfs/dbraw/zinc/89/49/32/545894932.db2.gz XDGJJOPKSUGZLB-GFCCVEGCSA-N 0 0 318.373 0.841 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000178137987 545895132 /nfs/dbraw/zinc/89/51/32/545895132.db2.gz VWXRBPXPQHQESW-UHFFFAOYSA-N 0 0 301.350 0.485 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)C(C)C ZINC000179284055 545898240 /nfs/dbraw/zinc/89/82/40/545898240.db2.gz RKGKOZVUOYWRDL-CQSZACIVSA-N 0 0 315.377 0.832 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCCNC3=O)cnc12 ZINC000179739132 545899919 /nfs/dbraw/zinc/89/99/19/545899919.db2.gz UUHCTJHHHKIRHW-LBPRGKRZSA-N 0 0 314.345 0.401 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOCC1 ZINC000180024252 545900528 /nfs/dbraw/zinc/90/05/28/545900528.db2.gz XMYNRUPKTSFXJV-ZIAGYGMSSA-N 0 0 305.378 0.951 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC[C@@H]1C ZINC000187730853 545915464 /nfs/dbraw/zinc/91/54/64/545915464.db2.gz LWOQIPPRTDROJO-SDDRHHMPSA-N 0 0 304.412 0.294 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)O1 ZINC000189645474 545922030 /nfs/dbraw/zinc/92/20/30/545922030.db2.gz CITAIMDVBYSWTK-NWDGAFQWSA-N 0 0 318.439 0.874 10 0 DCAERN O=C(NCc1cscn1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000190687578 545925206 /nfs/dbraw/zinc/92/52/06/545925206.db2.gz UQOVUXBURMUHKE-UHFFFAOYSA-N 0 0 317.374 0.404 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CCO)C2)C[C@H](C)O1 ZINC000225993007 545943862 /nfs/dbraw/zinc/94/38/62/545943862.db2.gz MSVXRXCVSOVLFZ-XQQFMLRXSA-N 0 0 306.428 0.435 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000246087605 545963198 /nfs/dbraw/zinc/96/31/98/545963198.db2.gz IZMQIHYXFWPKKV-HZSPNIEDSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)C[C@H]1C ZINC000248963104 545970255 /nfs/dbraw/zinc/97/02/55/545970255.db2.gz RJEYQXMMPCVBIC-MNOVXSKESA-N 0 0 308.407 0.923 10 0 DCAERN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CN1CC(=O)NC1=O ZINC000332866941 546064530 /nfs/dbraw/zinc/06/45/30/546064530.db2.gz KYYXENDVVGSRGP-MFKMUULPSA-N 0 0 311.382 0.496 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](n2cncn2)C1 ZINC000332931369 546066542 /nfs/dbraw/zinc/06/65/42/546066542.db2.gz RKANHPVMWWMYRR-RYUDHWBXSA-N 0 0 316.369 0.231 10 0 DCAERN C[C@@]12CCN(C(=O)NCCN3CCNC(=O)C3)C[C@@H]1C2(F)F ZINC000332974474 546067460 /nfs/dbraw/zinc/06/74/60/546067460.db2.gz FJUICVKNGDCMMS-GXFFZTMASA-N 0 0 316.352 0.105 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333137269 546072348 /nfs/dbraw/zinc/07/23/48/546072348.db2.gz JPKXHWBQHFXNEM-CFVMTHIKSA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)N1C[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)CC1=O ZINC000333381691 546079502 /nfs/dbraw/zinc/07/95/02/546079502.db2.gz BGRVPGUIPFYHNB-LLVKDONJSA-N 0 0 320.393 0.262 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2cccnc21 ZINC000333416367 546080811 /nfs/dbraw/zinc/08/08/11/546080811.db2.gz IEFUBCURBPPZJL-NWDGAFQWSA-N 0 0 309.391 0.391 10 0 DCAERN CC(=O)CCC(C)(C)c1nc(-c2cn(C)c(=O)n(C)c2=O)no1 ZINC000350883943 546163907 /nfs/dbraw/zinc/16/39/07/546163907.db2.gz SOAWIDLYCAZBIC-UHFFFAOYSA-N 0 0 320.349 0.781 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CCCOCC1)c1ccccc1 ZINC000357962514 546188785 /nfs/dbraw/zinc/18/87/85/546188785.db2.gz ZXOHDVJEXNFANA-AWEZNQCLSA-N 0 0 306.362 0.739 10 0 DCAERN COCC[C@H](CO)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000382969578 546216698 /nfs/dbraw/zinc/21/66/98/546216698.db2.gz GYLSEHKJLLDTQC-LLVKDONJSA-N 0 0 301.774 0.685 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC(CCO)CC2)C[C@@H](C)O1 ZINC000400985172 546225498 /nfs/dbraw/zinc/22/54/98/546225498.db2.gz YGBZEYYAXSMPFJ-VXGBXAGGSA-N 0 0 306.428 0.435 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401913727 546226168 /nfs/dbraw/zinc/22/61/68/546226168.db2.gz YWBFEAMYYBRQLA-CYBMUJFWSA-N 0 0 306.428 0.581 10 0 DCAERN O=S(=O)(c1ccccc1Cl)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405279774 546228237 /nfs/dbraw/zinc/22/82/37/546228237.db2.gz UTGVPNOWZUZDEL-WDEREUQCSA-N 0 0 316.810 0.780 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000670001062 547040237 /nfs/dbraw/zinc/04/02/37/547040237.db2.gz BDJJDDZIFOLWDY-CYBMUJFWSA-N 0 0 315.373 0.897 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCc2cc3c([nH]c2=O)CCC3)C1 ZINC000671581103 547259104 /nfs/dbraw/zinc/25/91/04/547259104.db2.gz QGONGSOVUAXHDE-QWHCGFSZSA-N 0 0 321.377 0.567 10 0 DCAERN Cc1cccc(CNC(=O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000243976122 660458108 /nfs/dbraw/zinc/45/81/08/660458108.db2.gz SBYGYXWDILLAKS-UHFFFAOYSA-N 0 0 318.373 0.977 10 0 DCAERN CCN(CCc1nccs1)C(=O)NCCS(C)(=O)=O ZINC000162821244 660491868 /nfs/dbraw/zinc/49/18/68/660491868.db2.gz NEMTYVALCRPUAO-UHFFFAOYSA-N 0 0 305.425 0.762 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000310132971 660854816 /nfs/dbraw/zinc/85/48/16/660854816.db2.gz LCCDDADULRGVIQ-NKWVEPMBSA-N 0 0 303.160 0.611 10 0 DCAERN COCCCN(CCOC)Cn1nc(CO)n(C)c1=S ZINC000120409914 661206744 /nfs/dbraw/zinc/20/67/44/661206744.db2.gz QAVPXQLJQLFACK-UHFFFAOYSA-N 0 0 304.416 0.386 10 0 DCAERN CC(C)Cn1ncnc1COC(=O)c1cc(C(N)=O)cn1C ZINC000180346466 665433701 /nfs/dbraw/zinc/43/37/01/665433701.db2.gz ZVCVUILMZUPECJ-UHFFFAOYSA-N 0 0 305.338 0.729 10 0 DCAERN O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000170895522 665462500 /nfs/dbraw/zinc/46/25/00/665462500.db2.gz LCPTURNAYLZDMX-ZANVPECISA-N 0 0 316.279 0.689 10 0 DCAERN CC(C)(CNC(=O)CNCC(F)(F)F)CS(C)(=O)=O ZINC000723842059 657617140 /nfs/dbraw/zinc/61/71/40/657617140.db2.gz XMMIBBGNMDJCTJ-UHFFFAOYSA-N 0 0 304.334 0.325 10 0 DCAERN NC(=O)c1coc(CNC(=O)NNc2ccc(Cl)nn2)c1 ZINC000187983239 657703650 /nfs/dbraw/zinc/70/36/50/657703650.db2.gz SRNPSXWTUOPCBW-UHFFFAOYSA-N 0 0 310.701 0.648 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1OC ZINC000168643441 657955483 /nfs/dbraw/zinc/95/54/83/657955483.db2.gz WYQMDTBUAWPVAY-JTQLQIEISA-N 0 0 317.363 0.086 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@H]1CC12CC(O)C2 ZINC000724990463 657987552 /nfs/dbraw/zinc/98/75/52/657987552.db2.gz MHAMMAREKWYZME-AZOHRERUSA-N 0 0 317.388 0.726 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)Nc1ccc(Cl)nc1 ZINC000725005158 658013948 /nfs/dbraw/zinc/01/39/48/658013948.db2.gz RMORMFQMUFYSHA-VIFPVBQESA-N 0 0 303.771 0.450 10 0 DCAERN CO[C@@H]1CC[C@@H]1N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000724182701 658034695 /nfs/dbraw/zinc/03/46/95/658034695.db2.gz KAXPFHBPFNVOAI-VHSXEESVSA-N 0 0 318.420 0.574 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)NC/C=C\c1ccccc1 ZINC000255191695 658044013 /nfs/dbraw/zinc/04/40/13/658044013.db2.gz LNXOTMZWAOGZCC-YVMONPNESA-N 0 0 303.405 0.664 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@H](O)C[C@@]1(C)CO ZINC000725118061 658149826 /nfs/dbraw/zinc/14/98/26/658149826.db2.gz PZOOOXNZIGRZHB-PWSUYJOCSA-N 0 0 305.421 0.871 10 0 DCAERN O=C(CO)NNC(=O)C1(c2ccccc2Br)CC1 ZINC000188166514 658256157 /nfs/dbraw/zinc/25/61/57/658256157.db2.gz ZVTXPXQPVLVHQJ-UHFFFAOYSA-N 0 0 313.151 0.620 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCc2cccnc2)c(=O)n(C)c1=O ZINC000255637456 658433318 /nfs/dbraw/zinc/43/33/18/658433318.db2.gz MPQDSMQMGZUPNO-WAYWQWQTSA-N 0 0 315.329 0.278 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(Cn2nc3cnccn3c2=O)C1 ZINC000179484280 658507943 /nfs/dbraw/zinc/50/79/43/658507943.db2.gz YMZHCULUEKCGDR-NSHDSACASA-N 0 0 319.365 0.512 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@H]2CSC(=O)N2)CC1)C(F)(F)F ZINC000177106825 658650145 /nfs/dbraw/zinc/65/01/45/658650145.db2.gz YTXGKFGHXBZJBO-HTQZYQBOSA-N 0 0 311.329 0.906 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2cnn(C)c2C)C1=O ZINC000888076389 658713597 /nfs/dbraw/zinc/71/35/97/658713597.db2.gz DRYFWXXOYGDOBD-CYBMUJFWSA-N 0 0 308.382 0.372 10 0 DCAERN C[C@@]1(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000177244612 658723702 /nfs/dbraw/zinc/72/37/02/658723702.db2.gz YUDKBQROCHJYRC-INIZCTEOSA-N 0 0 318.329 0.802 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)COCC(C)C ZINC000356527151 665608722 /nfs/dbraw/zinc/60/87/22/665608722.db2.gz FMICOTMZAGYCPD-VXGBXAGGSA-N 0 0 304.412 0.058 10 0 DCAERN COC[C@@](C)(CCO)NCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255355757 658808051 /nfs/dbraw/zinc/80/80/51/658808051.db2.gz FTVJKUQQOFMQFL-MLGOLLRUSA-N 0 0 324.425 0.592 10 0 DCAERN O=C(CN1CCCS1(=O)=O)OCC(Cl)(Cl)Cl ZINC000184612026 659225914 /nfs/dbraw/zinc/22/59/14/659225914.db2.gz HLQBTQVMNSBDRV-UHFFFAOYSA-N 0 0 310.586 0.935 10 0 DCAERN O=C(C[C@@H]1CCCOC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000192466375 659417382 /nfs/dbraw/zinc/41/73/82/659417382.db2.gz RILOBUFYDJIUBZ-LSDHHAIUSA-N 0 0 324.421 0.901 10 0 DCAERN NS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CSC(=O)N2)cc1 ZINC000040378651 659516251 /nfs/dbraw/zinc/51/62/51/659516251.db2.gz XUZKCFVQPIHGMU-SECBINFHSA-N 0 0 315.376 0.239 10 0 DCAERN Cn1nccc1CNC(=O)NCC(=O)OCc1ccccc1 ZINC000026395456 659752866 /nfs/dbraw/zinc/75/28/66/659752866.db2.gz IQFXYIVQJQZEHU-UHFFFAOYSA-N 0 0 302.334 0.963 10 0 DCAERN O=C(N[C@H]1COc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000332885818 659766864 /nfs/dbraw/zinc/76/68/64/659766864.db2.gz WHPPFMQPQWJLHN-OCCSQVGLSA-N 0 0 303.362 0.846 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000126129936 661455193 /nfs/dbraw/zinc/45/51/93/661455193.db2.gz AEOCYRMHCMHNNX-VIFPVBQESA-N 0 0 311.338 0.805 10 0 DCAERN Cc1cccc(-c2noc(C[C@H]3CS(=O)(=O)CCN3)n2)n1 ZINC000126131283 661455250 /nfs/dbraw/zinc/45/52/50/661455250.db2.gz WIFDMWDVZSQYKU-JTQLQIEISA-N 0 0 308.363 0.369 10 0 DCAERN O=S(=O)(c1cn2c(n1)CCCC2)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000262028625 661966036 /nfs/dbraw/zinc/96/60/36/661966036.db2.gz JLEWKHMWHSSPAO-TXEJJXNPSA-N 0 0 310.423 0.734 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(C)C ZINC000178925506 662027218 /nfs/dbraw/zinc/02/72/18/662027218.db2.gz QNIUIARQVCFMLJ-LLVKDONJSA-N 0 0 319.814 0.925 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2cccnc2)c(=O)n(C)c1=O ZINC000054189035 662100780 /nfs/dbraw/zinc/10/07/80/662100780.db2.gz SIAHDXNTRYTRFC-AATRIKPKSA-N 0 0 301.302 0.236 10 0 DCAERN O=C(NCCN1CCOCC1)C1(c2ccc3c(c2)OCO3)CC1 ZINC000243763011 665854663 /nfs/dbraw/zinc/85/46/63/665854663.db2.gz QCWXJUHISXMZBX-UHFFFAOYSA-N 0 0 318.373 0.895 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1N1CCOCC1 ZINC000262690554 662531613 /nfs/dbraw/zinc/53/16/13/662531613.db2.gz AEMSXAGMAVGIJD-IJLUTSLNSA-N 0 0 303.353 0.163 10 0 DCAERN O=C(COC(=O)C1(O)CCOCC1)c1ccc2c(c1)OCO2 ZINC000729025758 662603400 /nfs/dbraw/zinc/60/34/00/662603400.db2.gz AKCCMAQIQKUSLD-UHFFFAOYSA-N 0 0 308.286 0.683 10 0 DCAERN CC(C)[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)N(C)C ZINC000729694999 662907320 /nfs/dbraw/zinc/90/73/20/662907320.db2.gz ICFVIODUSPGFOV-ZDUSSCGKSA-N 0 0 317.349 0.932 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)no1 ZINC000897717095 662923218 /nfs/dbraw/zinc/92/32/18/662923218.db2.gz DYJRLDXCYULYKJ-INIZCTEOSA-N 0 0 321.377 0.827 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000344873294 663079119 /nfs/dbraw/zinc/07/91/19/663079119.db2.gz AJYSBBGQDSMOFC-ZJUUUORDSA-N 0 0 301.364 0.662 10 0 DCAERN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@]2(OC)CCOC2)C1 ZINC000898546077 663095108 /nfs/dbraw/zinc/09/51/08/663095108.db2.gz GNGDFXGPJZYFIO-WDMOLILDSA-N 0 0 303.330 0.542 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251078108 663150295 /nfs/dbraw/zinc/15/02/95/663150295.db2.gz GOVAKTWNHZLVAO-WISYIIOYSA-N 0 0 301.412 0.064 10 0 DCAERN C[C@@H](O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000346429197 663172777 /nfs/dbraw/zinc/17/27/77/663172777.db2.gz YOJQXBPXKBADOL-VHSXEESVSA-N 0 0 300.380 0.436 10 0 DCAERN C[C@@H](O)[C@H](C)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000346514657 663206082 /nfs/dbraw/zinc/20/60/82/663206082.db2.gz PVKHHPPTUFXGPF-NKWVEPMBSA-N 0 0 319.155 0.657 10 0 DCAERN O=C(CN1CCNC(=O)C1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000901279745 663335082 /nfs/dbraw/zinc/33/50/82/663335082.db2.gz UWHNMPPIDZOHNH-CQSZACIVSA-N 0 0 305.353 0.751 10 0 DCAERN Cc1nc2c(nccc2C(=O)N[C@H](CO)C2CCOCC2)[nH]1 ZINC000436092951 663415326 /nfs/dbraw/zinc/41/53/26/663415326.db2.gz RZEYGKLOPGTANX-GFCCVEGCSA-N 0 0 304.350 0.784 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1nncn1C(C)C ZINC000347553902 663518955 /nfs/dbraw/zinc/51/89/55/663518955.db2.gz IUNGRRFFLSBFAT-LLVKDONJSA-N 0 0 311.411 0.739 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCCC[C@H]1CC ZINC000031475040 663587779 /nfs/dbraw/zinc/58/77/79/663587779.db2.gz URSXLJUKZJFNPE-CVEARBPZSA-N 0 0 317.433 0.756 10 0 DCAERN CC[C@@H](O)[C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000908093619 663731811 /nfs/dbraw/zinc/73/18/11/663731811.db2.gz JEIACHBSAZFNSO-XDQVBPFNSA-N 0 0 312.410 0.632 10 0 DCAERN O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCOC[C@H]1CO ZINC000912413665 664168331 /nfs/dbraw/zinc/16/83/31/664168331.db2.gz HIONHRDQZICRBX-CQSZACIVSA-N 0 0 310.394 0.245 10 0 DCAERN COc1ccc(-n2ccc(C(=O)N3CCOC[C@H]3CO)n2)cc1 ZINC000912423015 664174420 /nfs/dbraw/zinc/17/44/20/664174420.db2.gz PYOYFLLJMANTGN-CYBMUJFWSA-N 0 0 317.345 0.714 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC000913088514 664266750 /nfs/dbraw/zinc/26/67/50/664266750.db2.gz LGQNLEQYDWDYEO-TYNCELHUSA-N 0 0 320.393 0.604 10 0 DCAERN COC(=O)NCC(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913091498 664267280 /nfs/dbraw/zinc/26/72/80/664267280.db2.gz PAERPECXVAKXHI-ZWNOBZJWSA-N 0 0 310.354 0.339 10 0 DCAERN Cn1c(-c2ccco2)nn(CN2CCNC(=O)CC2)c1=S ZINC000044781805 664370979 /nfs/dbraw/zinc/37/09/79/664370979.db2.gz WRZKOHKGAKFDNO-UHFFFAOYSA-N 0 0 307.379 0.990 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000733960892 666832169 /nfs/dbraw/zinc/83/21/69/666832169.db2.gz OARNWZLPWIWDHI-LJQANCHMSA-N 0 0 324.468 0.077 10 0 DCAERN C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223359302 664407924 /nfs/dbraw/zinc/40/79/24/664407924.db2.gz ZTPZCUZVNDTNFT-JQWIXIFHSA-N 0 0 320.345 0.403 10 0 DCAERN Cn1cc(C(=O)NCC2(CN3CCOCC3)CCOCC2)cn1 ZINC000223608726 664417729 /nfs/dbraw/zinc/41/77/29/664417729.db2.gz ZCZJKHLHWZFKMX-UHFFFAOYSA-N 0 0 322.409 0.279 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000058727191 664505716 /nfs/dbraw/zinc/50/57/16/664505716.db2.gz KBYYMNSOVJPIOJ-RYUDHWBXSA-N 0 0 310.375 0.660 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000440874235 664562129 /nfs/dbraw/zinc/56/21/29/664562129.db2.gz WARQMTURDMIXFW-ADEWGFFLSA-N 0 0 302.396 0.218 10 0 DCAERN CC(=O)N(C)CC(=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000061177016 664594824 /nfs/dbraw/zinc/59/48/24/664594824.db2.gz YVMLQCIHHWFJSE-JTQLQIEISA-N 0 0 324.299 0.809 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000171268576 664606750 /nfs/dbraw/zinc/60/67/50/664606750.db2.gz KILRRDWLOWIBSE-QWHCGFSZSA-N 0 0 312.366 0.897 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC(Nc3cccnn3)CC2)CCO1 ZINC000171552618 664610363 /nfs/dbraw/zinc/61/03/63/664610363.db2.gz MVIZYHRLZJKFGA-CYBMUJFWSA-N 0 0 319.409 0.600 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccccc1 ZINC000172404555 664621249 /nfs/dbraw/zinc/62/12/49/664621249.db2.gz PSMNXMZQMWCUFI-QGZVFWFLSA-N 0 0 313.357 0.835 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959085 664625978 /nfs/dbraw/zinc/62/59/78/664625978.db2.gz ALSJXUNKLLCNPD-WMLDXEAASA-N 0 0 323.437 0.772 10 0 DCAERN CCn1c(C)nn(CN2CCS(=O)(=O)[C@H](C)C2)c1=S ZINC000151584724 664707351 /nfs/dbraw/zinc/70/73/51/664707351.db2.gz QDEIWLVLRSYUEK-SECBINFHSA-N 0 0 304.441 0.819 10 0 DCAERN COC(=O)c1ncn(CN2CCC(c3ccnn3C)CC2)n1 ZINC000152211046 664740710 /nfs/dbraw/zinc/74/07/10/664740710.db2.gz DNXCMLPLLDPJLT-UHFFFAOYSA-N 0 0 304.354 0.635 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CN3CCOC3=S)CCO2)n1 ZINC000152871691 664777430 /nfs/dbraw/zinc/77/74/30/664777430.db2.gz YFJKBGRYBGAOJB-CYBMUJFWSA-N 0 0 310.423 0.775 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000324289742 664789253 /nfs/dbraw/zinc/78/92/53/664789253.db2.gz RSCBYFCGXYFZTO-UWVGGRQHSA-N 0 0 309.453 0.430 10 0 DCAERN O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)C1=COCCC1 ZINC000730833340 664818385 /nfs/dbraw/zinc/81/83/85/664818385.db2.gz ZLOKTJQHYXKLJU-GFCCVEGCSA-N 0 0 321.329 0.966 10 0 DCAERN COC[C@H](C)NC(=O)NC(=O)COC(=O)C1=COCCC1 ZINC000730852272 664820497 /nfs/dbraw/zinc/82/04/97/664820497.db2.gz KSHPAEWHMZTLMJ-VIFPVBQESA-N 0 0 300.311 0.085 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000741423281 664841843 /nfs/dbraw/zinc/84/18/43/664841843.db2.gz SVHVXPLPMWQDSN-NRFANRHFSA-N 0 0 308.367 0.552 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)[C@H]1CCCO1 ZINC000032260162 664852891 /nfs/dbraw/zinc/85/28/91/664852891.db2.gz GWFCYLDHMCOSEC-CYBMUJFWSA-N 0 0 315.329 0.440 10 0 DCAERN CCN1CCN(C(=O)Cc2ccn(C)n2)C[C@H]1c1nccn1C ZINC000328635433 665079342 /nfs/dbraw/zinc/07/93/42/665079342.db2.gz USOXGVLVXXKORR-AWEZNQCLSA-N 0 0 316.409 0.602 10 0 DCAERN CN(Cc1ccc(Cl)nc1)C(=O)NCCS(C)(=O)=O ZINC000170830967 665290784 /nfs/dbraw/zinc/29/07/84/665290784.db2.gz XBQHPVKIKRNNMG-UHFFFAOYSA-N 0 0 305.787 0.921 10 0 DCAERN C[C@@](O)(CNC(=O)NCCCn1ccnn1)c1ccccc1 ZINC000183516396 666059443 /nfs/dbraw/zinc/05/94/43/666059443.db2.gz LTKNTTUYNGEUAJ-OAHLLOKOSA-N 0 0 303.366 0.875 10 0 DCAERN COCCN1CCCN(CN2C[C@@H](C(C)C)CC2=O)CC1=O ZINC000189295557 666095183 /nfs/dbraw/zinc/09/51/83/666095183.db2.gz NBWLOZZAVQYZGD-AWEZNQCLSA-N 0 0 311.426 0.629 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NNc1c(F)cccc1Cl ZINC000184235652 666192388 /nfs/dbraw/zinc/19/23/88/666192388.db2.gz MFECRUUIKQHZHV-UHFFFAOYSA-N 0 0 300.677 0.474 10 0 DCAERN O=C1c2ccc(F)cc2C(=O)N1CN1CCO[C@]2(CCOC2)C1 ZINC000184286401 666193895 /nfs/dbraw/zinc/19/38/95/666193895.db2.gz ZAHNOOKMJNKVHM-MRXNPFEDSA-N 0 0 320.320 0.871 10 0 DCAERN CN(C)c1noc(CSc2nnc(-c3ccco3)n2N)n1 ZINC000184532896 666224488 /nfs/dbraw/zinc/22/44/88/666224488.db2.gz BLKLWSVTIRYURZ-UHFFFAOYSA-N 0 0 307.339 0.993 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184730159 666267251 /nfs/dbraw/zinc/26/72/51/666267251.db2.gz HZZLXPSKXOFINX-NSHDSACASA-N 0 0 317.397 0.431 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)c1ccc2nnn(C)c2c1 ZINC000185547454 666497155 /nfs/dbraw/zinc/49/71/55/666497155.db2.gz JYIOAFIVAFXNQW-UHFFFAOYSA-N 0 0 310.379 0.475 10 0 DCAERN Cn1nccc1CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000186743504 666587975 /nfs/dbraw/zinc/58/79/75/666587975.db2.gz HRLRZUSEKDHWOP-LLVKDONJSA-N 0 0 306.288 0.671 10 0 DCAERN O=C(C1CCN(C[C@@H](O)CN2CCCC2=O)CC1)C(F)(F)F ZINC000186057966 666662797 /nfs/dbraw/zinc/66/27/97/666662797.db2.gz YKJXGWGWLJPQNK-LLVKDONJSA-N 0 0 322.327 0.813 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)NCC2CC2)[C@H](O)C1 ZINC000701004472 666795255 /nfs/dbraw/zinc/79/52/55/666795255.db2.gz SXSPRRBBZYAEQZ-VXGBXAGGSA-N 0 0 313.398 0.923 10 0 DCAERN CC[S@](=O)CCNC(=O)CCn1nnc2ccccc2c1=O ZINC000733879873 666823614 /nfs/dbraw/zinc/82/36/14/666823614.db2.gz RPBDPDJLKVIFJV-QFIPXVFZSA-N 0 0 322.390 0.066 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccc(OCC(=O)OC)c1 ZINC000733959378 666832268 /nfs/dbraw/zinc/83/22/68/666832268.db2.gz HYCVFKJAEHZWLV-OAQYLSRUSA-N 0 0 313.375 0.737 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000733962774 666832741 /nfs/dbraw/zinc/83/27/41/666832741.db2.gz NLUVCFCHBDGYID-XFNZEKPQSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000733964754 666833155 /nfs/dbraw/zinc/83/31/55/666833155.db2.gz AKQISFGQAJOCHB-OAQYLSRUSA-N 0 0 310.379 0.481 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC2CSC2)cc1 ZINC000701966707 666897235 /nfs/dbraw/zinc/89/72/35/666897235.db2.gz VDNJRNWZMDDLEJ-UHFFFAOYSA-N 0 0 301.389 0.796 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000735008246 666934729 /nfs/dbraw/zinc/93/47/29/666934729.db2.gz JMUCSWARSUYJED-MRVPVSSYSA-N 0 0 308.363 0.340 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](N3CCC3)C2)c1Cl ZINC000702298551 666936720 /nfs/dbraw/zinc/93/67/20/666936720.db2.gz VJMVINBRMSESRN-SECBINFHSA-N 0 0 304.803 0.542 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000735090359 666949818 /nfs/dbraw/zinc/94/98/18/666949818.db2.gz PSVSFVPURYTUAI-ZSEKCTLFSA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000735112523 666954690 /nfs/dbraw/zinc/95/46/90/666954690.db2.gz QJIFWFAVUVVFBG-LRTDBIEQSA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000735197243 666965682 /nfs/dbraw/zinc/96/56/82/666965682.db2.gz CNEACMRQYADABD-OAQYLSRUSA-N 0 0 310.375 0.713 10 0 DCAERN Cn1cnc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000702820715 667000179 /nfs/dbraw/zinc/00/01/79/667000179.db2.gz WNGQCNHBGNFUII-CMPLNLGQSA-N 0 0 324.381 0.378 10 0 DCAERN Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702834263 667001187 /nfs/dbraw/zinc/00/11/87/667001187.db2.gz WUJPCDGXFSFUJA-GHMZBOCLSA-N 0 0 324.381 0.676 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C=Cc3cnn(C)c3)CC2)[nH]1 ZINC000735822862 667040619 /nfs/dbraw/zinc/04/06/19/667040619.db2.gz HTMISHDGJDKSBT-ONEGZZNKSA-N 0 0 315.381 0.204 10 0 DCAERN C[C@@H]1CN(Cn2nc(N(C)C)sc2=S)C[C@H](C(N)=O)O1 ZINC000120214752 667280737 /nfs/dbraw/zinc/28/07/37/667280737.db2.gz LPVXZKJILAJEJL-HTQZYQBOSA-N 0 0 317.440 0.272 10 0 DCAERN C[C@@H]1CN(Cn2nc(C3CC3)n(C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120249410 667288736 /nfs/dbraw/zinc/28/87/36/667288736.db2.gz AJMOMCVZBZVHCL-SCZZXKLOSA-N 0 0 311.411 0.361 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2conc2C)cn1 ZINC000864873525 667290942 /nfs/dbraw/zinc/29/09/42/667290942.db2.gz ARZGZDOYMSZOPL-QWHCGFSZSA-N 0 0 306.322 0.776 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000121628071 667405534 /nfs/dbraw/zinc/40/55/34/667405534.db2.gz LOZRFFQUJKRZQP-CQSZACIVSA-N 0 0 307.375 0.823 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1 ZINC000708274369 667442399 /nfs/dbraw/zinc/44/23/99/667442399.db2.gz MNNFAPRYCIFLPI-UHFFFAOYSA-N 0 0 324.399 0.432 10 0 DCAERN CC[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)C(C)(C)C ZINC000711115204 667449151 /nfs/dbraw/zinc/44/91/51/667449151.db2.gz ZBOCPUUGHXDAFN-LLVKDONJSA-N 0 0 305.444 0.797 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(Br)cnc1F ZINC000717296647 667537511 /nfs/dbraw/zinc/53/75/11/667537511.db2.gz FDJMJUHVYBJSML-YLWLKBPMSA-N 0 0 307.119 0.455 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)COc1ccc(Br)cc1 ZINC000717303535 667544129 /nfs/dbraw/zinc/54/41/29/667544129.db2.gz GUGBEXMTBZYETG-LDYMZIIASA-N 0 0 318.167 0.686 10 0 DCAERN O=C(NCCO)C1CCN(C(=O)c2sccc2F)CC1 ZINC000711862739 667546310 /nfs/dbraw/zinc/54/63/10/667546310.db2.gz LDVCHPLNMZUCRJ-UHFFFAOYSA-N 0 0 300.355 0.848 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122215640 667583708 /nfs/dbraw/zinc/58/37/08/667583708.db2.gz UFROYLCPWUFHNT-UHFFFAOYSA-N 0 0 313.427 0.938 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(Cn2nc(C(=O)OC)ccc2=O)C1 ZINC000739831211 667720770 /nfs/dbraw/zinc/72/07/70/667720770.db2.gz LNAWBJZGQCAQMU-LLVKDONJSA-N 0 0 323.349 0.263 10 0 DCAERN CCn1cc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC000886071733 667728314 /nfs/dbraw/zinc/72/83/14/667728314.db2.gz BTCKOHGENWTPRG-OAHLLOKOSA-N 0 0 308.382 0.264 10 0 DCAERN Nc1cc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)ccn1 ZINC000886071731 667728488 /nfs/dbraw/zinc/72/84/88/667728488.db2.gz BPNPHUBMLDCDEO-OAHLLOKOSA-N 0 0 306.366 0.025 10 0 DCAERN O=C([O-])[C@]1([NH+]2CCN(C(=O)CCc3ccco3)CC2)CCOC1 ZINC000886077922 667728940 /nfs/dbraw/zinc/72/89/40/667728940.db2.gz RBQRWRWKSIOLJQ-INIZCTEOSA-N 0 0 322.361 0.600 10 0 DCAERN CO[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1c1cn(C)nn1 ZINC000886075149 667729290 /nfs/dbraw/zinc/72/92/90/667729290.db2.gz DAJUWHCCKQIUQW-DZGCQCFKSA-N 0 0 316.361 0.835 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)CC(C)(C)CO)C1=O ZINC000886078390 667729721 /nfs/dbraw/zinc/72/97/21/667729721.db2.gz XXRQLLAOOJTAGQ-GFCCVEGCSA-N 0 0 300.399 0.491 10 0 DCAERN COCC1(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)CCCC1 ZINC000886078148 667729781 /nfs/dbraw/zinc/72/97/81/667729781.db2.gz NWTQWIGSEAJCEF-GXTWGEPZSA-N 0 0 322.409 0.963 10 0 DCAERN CCCOCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C ZINC000886084712 667730327 /nfs/dbraw/zinc/73/03/27/667730327.db2.gz BPGVLCKXJHMFMG-BXUZGUMPSA-N 0 0 308.382 0.625 10 0 DCAERN COc1ncccc1CNC(=O)CN1CCCC[C@H](OC)C1=O ZINC000886087947 667730844 /nfs/dbraw/zinc/73/08/44/667730844.db2.gz FGXBDJGPTOMQFR-ZDUSSCGKSA-N 0 0 321.377 0.734 10 0 DCAERN C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)ccn1 ZINC000886096378 667731501 /nfs/dbraw/zinc/73/15/01/667731501.db2.gz CXWHEBGGTMKXGD-ZDUSSCGKSA-N 0 0 318.381 0.620 10 0 DCAERN C=CC(=O)NCCNC(=O)CSCC(=O)OC(C)(C)C ZINC000741213846 667761774 /nfs/dbraw/zinc/76/17/74/667761774.db2.gz HCHXZZPSDBZSSU-UHFFFAOYSA-N 0 0 302.396 0.480 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(C)CC(F)(F)F ZINC000037502250 667789469 /nfs/dbraw/zinc/78/94/69/667789469.db2.gz HAWUMDZDLRBYSO-UHFFFAOYSA-N 0 0 315.273 0.769 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000134030575 668165742 /nfs/dbraw/zinc/16/57/42/668165742.db2.gz WQXQYPLNWFSERB-ZETCQYMHSA-N 0 0 322.774 0.193 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000134034115 668165806 /nfs/dbraw/zinc/16/58/06/668165806.db2.gz NSMZTDLKGDVJCX-JTQLQIEISA-N 0 0 302.327 0.945 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000125598484 668373878 /nfs/dbraw/zinc/37/38/78/668373878.db2.gz PRWFRJGDGKWFKS-CQSZACIVSA-N 0 0 317.345 0.596 10 0 DCAERN COc1ccc(C(=O)NC(=O)CN2CCN(C3CC3)CC2)cc1 ZINC000126000503 668457493 /nfs/dbraw/zinc/45/74/93/668457493.db2.gz BEGOCZGQINWQHG-UHFFFAOYSA-N 0 0 317.389 0.732 10 0 DCAERN CCN(C(=O)C[C@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126451208 668597830 /nfs/dbraw/zinc/59/78/30/668597830.db2.gz MIUMFUBLTVLFSP-LBPRGKRZSA-N 0 0 302.440 0.944 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCC1CCCCC1 ZINC000126555824 668622757 /nfs/dbraw/zinc/62/27/57/668622757.db2.gz UTOLROWYCMCKFR-CYBMUJFWSA-N 0 0 302.440 0.850 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1nc(C2CC2)cs1 ZINC000126691458 668645724 /nfs/dbraw/zinc/64/57/24/668645724.db2.gz ANMYDZKMRDGCAN-VIFPVBQESA-N 0 0 315.420 0.736 10 0 DCAERN CC(C)c1csc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)n1 ZINC000126691711 668645888 /nfs/dbraw/zinc/64/58/88/668645888.db2.gz CQOCYMYBIYWKAS-SECBINFHSA-N 0 0 317.436 0.982 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cc(F)c(F)c(F)c1 ZINC000126740820 668652744 /nfs/dbraw/zinc/65/27/44/668652744.db2.gz PYEGRRALGLJCDP-QMMMGPOBSA-N 0 0 322.308 0.819 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115092 669136309 /nfs/dbraw/zinc/13/63/09/669136309.db2.gz NYLPHICKPHIZSF-TZMCWYRMSA-N 0 0 319.409 0.650 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)nn1 ZINC000932127577 669321965 /nfs/dbraw/zinc/32/19/65/669321965.db2.gz ZUCWMJXMJVWYPD-LBPRGKRZSA-N 0 0 303.370 0.984 10 0 DCAERN CC[C@H]1CN(Cn2nc(COC)oc2=O)CCN1CC(F)F ZINC000129307946 669406778 /nfs/dbraw/zinc/40/67/78/669406778.db2.gz XMMGOQRLIOQFQZ-JTQLQIEISA-N 0 0 320.340 0.602 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1N1CCOCC1 ZINC000933756117 669532573 /nfs/dbraw/zinc/53/25/73/669532573.db2.gz NPYXLMOPACLXFR-TZMCWYRMSA-N 0 0 307.398 0.481 10 0 DCAERN CCC[C@@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000212931890 669586576 /nfs/dbraw/zinc/58/65/76/669586576.db2.gz OXHWELWEHUTQBC-CHWSQXEVSA-N 0 0 302.440 0.944 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CCN1CCO ZINC000187256351 669705096 /nfs/dbraw/zinc/70/50/96/669705096.db2.gz PGFBLMZCWQNMIT-CYBMUJFWSA-N 0 0 315.377 0.406 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(Cn3ncn(C)c3=O)C2)n1 ZINC000133043587 669774172 /nfs/dbraw/zinc/77/41/72/669774172.db2.gz ZAFPITOYMIJGQZ-CYBMUJFWSA-N 0 0 305.386 0.160 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000041120453 669822969 /nfs/dbraw/zinc/82/29/69/669822969.db2.gz OXIWNAHUJDVSGG-SNVBAGLBSA-N 0 0 315.351 0.553 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)CCS1(=O)=O ZINC000155499768 669833144 /nfs/dbraw/zinc/83/31/44/669833144.db2.gz XQHNLXUMVFDDEO-SECBINFHSA-N 0 0 317.798 0.792 10 0 DCAERN CC1(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)OCCCO1 ZINC000191116452 669979364 /nfs/dbraw/zinc/97/93/64/669979364.db2.gz ASOOOEHBUIEMFN-SECBINFHSA-N 0 0 324.299 0.667 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000191397895 670016996 /nfs/dbraw/zinc/01/69/96/670016996.db2.gz LCYICYCUBFDXMW-CYBMUJFWSA-N 0 0 318.377 0.948 10 0 DCAERN COC(C)(C)CCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000189135140 670093074 /nfs/dbraw/zinc/09/30/74/670093074.db2.gz YEULENFLTCAQED-VOTSOKGWSA-N 0 0 310.350 0.456 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCN([C@@H](C)c3nc(C)no3)CC2)C1 ZINC000189145337 670093273 /nfs/dbraw/zinc/09/32/73/670093273.db2.gz PVGRQSOYBDPHAG-AAEUAGOBSA-N 0 0 323.397 0.261 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCC(Nc3cccnn3)CC2)C1 ZINC000189151162 670093502 /nfs/dbraw/zinc/09/35/02/670093502.db2.gz SCLMJVQWNKIYDY-ZDUSSCGKSA-N 0 0 305.382 0.558 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)NCC2(C)OCCCO2)c1 ZINC000192223598 670139684 /nfs/dbraw/zinc/13/96/84/670139684.db2.gz VXHTXRQJWLEZIN-UHFFFAOYSA-N 0 0 303.384 0.895 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1Cn1nc(CO)n(C)c1=S ZINC000189768100 670156670 /nfs/dbraw/zinc/15/66/70/670156670.db2.gz CLAAQLOOUXYDOG-JTQLQIEISA-N 0 0 313.427 0.247 10 0 DCAERN COc1cccc(F)c1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713978314 670173317 /nfs/dbraw/zinc/17/33/17/670173317.db2.gz FNQWPJXYFBCFLS-UHFFFAOYSA-N 0 0 302.327 0.385 10 0 DCAERN Cn1cc(CN2CCN(C)C[C@H]2CO)c(Br)n1 ZINC000714097631 670178326 /nfs/dbraw/zinc/17/83/26/670178326.db2.gz TYURJLLNKWKAPQ-JTQLQIEISA-N 0 0 303.204 0.291 10 0 DCAERN C[C@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@H]1CCOC1 ZINC000079174509 670180023 /nfs/dbraw/zinc/18/00/23/670180023.db2.gz VRTPQUXMCOJOEX-QWRGUYRKSA-N 0 0 318.329 0.658 10 0 DCAERN CS(=O)(=O)c1cccnc1NCC[C@H]1CCCS1(=O)=O ZINC000714327634 670184042 /nfs/dbraw/zinc/18/40/42/670184042.db2.gz OEKMNORCBMGEIN-SNVBAGLBSA-N 0 0 318.420 0.864 10 0 DCAERN CCOC(CC(=O)NCC[C@@H]1CCCS1(=O)=O)OCC ZINC000714348017 670184807 /nfs/dbraw/zinc/18/48/07/670184807.db2.gz QFSNHDKBZHWYPH-NSHDSACASA-N 0 0 307.412 0.859 10 0 DCAERN COC(=O)C1(O)CN(c2nc(C)nc(C)c2Br)C1 ZINC000714415394 670186050 /nfs/dbraw/zinc/18/60/50/670186050.db2.gz XXYLRRBBMKLBBW-UHFFFAOYSA-N 0 0 316.155 0.580 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC23OCCO3)C1 ZINC000715929660 670226331 /nfs/dbraw/zinc/22/63/31/670226331.db2.gz GRYOCCGDKXZNPB-NWDGAFQWSA-N 0 0 304.412 0.848 10 0 DCAERN CCN1C[C@H](COC(=O)[C@H]2COCCN2CC(F)F)CC1=O ZINC000194941480 670462559 /nfs/dbraw/zinc/46/25/59/670462559.db2.gz DBFVAFQCUVUDBF-GHMZBOCLSA-N 0 0 320.336 0.364 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)c1nnnn1C1CC1 ZINC000190639243 670471963 /nfs/dbraw/zinc/47/19/63/670471963.db2.gz DFPWWXLCCLYITD-UWVGGRQHSA-N 0 0 314.415 0.635 10 0 DCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC000195267485 670478268 /nfs/dbraw/zinc/47/82/68/670478268.db2.gz OSMRTPBDWZJHDS-UHFFFAOYSA-N 0 0 307.350 0.181 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCC(c3ccnn3C)CC2)CCO1 ZINC000195502112 670495607 /nfs/dbraw/zinc/49/56/07/670495607.db2.gz RWLJKMHXJHWWKY-ZDUSSCGKSA-N 0 0 306.410 0.847 10 0 DCAERN O=C(CCc1nc(-c2ncccn2)no1)OCC(=O)C1CC1 ZINC000109373592 670918898 /nfs/dbraw/zinc/91/88/98/670918898.db2.gz MBPBXOQOLZJOSP-UHFFFAOYSA-N 0 0 302.290 0.982 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)OC[C@@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000115737791 670964347 /nfs/dbraw/zinc/96/43/47/670964347.db2.gz VWAWUAOIPMNRII-OSAQELSMSA-N 0 0 321.377 0.909 10 0 DCAERN COC[C@]1(C)NC(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116258055 671029969 /nfs/dbraw/zinc/02/99/69/671029969.db2.gz NFMUVMNKHZMPKX-NHYWBVRUSA-N 0 0 321.381 0.124 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2ccnc2C)cn1 ZINC000818605579 671035501 /nfs/dbraw/zinc/03/55/01/671035501.db2.gz GUTSPZCHTPCAEQ-UONOGXRCSA-N 0 0 319.365 0.371 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2nccc2-c2ccncc2)C1 ZINC000116869221 671132298 /nfs/dbraw/zinc/13/22/98/671132298.db2.gz WDQDTIZCCZFETF-ZDUSSCGKSA-N 0 0 321.406 0.526 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116968784 671148409 /nfs/dbraw/zinc/14/84/09/671148409.db2.gz ZRNOIXGGNCXLFD-QKVFXAPYSA-N 0 0 317.455 0.844 10 0 DCAERN COCCN1CCN(CN2c3ccccc3C(=O)C2=O)C[C@H]1C ZINC000117323195 671192822 /nfs/dbraw/zinc/19/28/22/671192822.db2.gz MKJLECJGVHSKLL-CYBMUJFWSA-N 0 0 317.389 0.826 10 0 DCAERN CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)nn1 ZINC000820349454 671193854 /nfs/dbraw/zinc/19/38/54/671193854.db2.gz LBHJMEYDFIARKE-MWLCHTKSSA-N 0 0 300.384 0.384 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102290906 671816253 /nfs/dbraw/zinc/81/62/53/671816253.db2.gz SVDIYOVENMEADM-NSHDSACASA-N 0 0 321.358 0.991 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000121472614 671837342 /nfs/dbraw/zinc/83/73/42/671837342.db2.gz BHIFGHVERKSJMX-LLVKDONJSA-N 0 0 324.768 0.801 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000385701573 1158245097 /nfs/dbraw/zinc/24/50/97/1158245097.db2.gz LBXNLOAZXJUGAO-SDDRHHMPSA-N 0 0 321.464 0.526 10 0 DCAERN CS(=O)(=O)C1(CNc2cnc(Br)cn2)CC1 ZINC000393718840 685265257 /nfs/dbraw/zinc/26/52/57/685265257.db2.gz GCCCZDFXMIIIDZ-UHFFFAOYSA-N 0 0 306.185 0.650 10 0 DCAERN CNc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc(Cl)n1 ZINC000398278285 685274835 /nfs/dbraw/zinc/27/48/35/685274835.db2.gz KBUROVFDFMKRHC-ZCFIWIBFSA-N 0 0 306.775 0.184 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C1CC2(CSC2)C1 ZINC000718411854 685305327 /nfs/dbraw/zinc/30/53/27/685305327.db2.gz FXVWUGNLVQPATQ-NSHDSACASA-N 0 0 318.464 0.799 10 0 DCAERN COCCOCC(=O)NCc1cn(C)nc1Br ZINC000720636098 685314715 /nfs/dbraw/zinc/31/47/15/685314715.db2.gz ZEEQFNATJAYZLI-UHFFFAOYSA-N 0 0 306.160 0.462 10 0 DCAERN COCc1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)o1 ZINC000721218101 685318551 /nfs/dbraw/zinc/31/85/51/685318551.db2.gz FHYDJMVIFDYKOF-CYBMUJFWSA-N 0 0 303.380 0.719 10 0 DCAERN C=CCNC(=O)COC(=O)CN1C(=O)CSc2ccccc21 ZINC000017132727 685050802 /nfs/dbraw/zinc/05/08/02/685050802.db2.gz CUBYKUNTLVWSSQ-UHFFFAOYSA-N 0 0 320.370 0.971 10 0 DCAERN Cc1nnc(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)n1N ZINC000053380158 685060641 /nfs/dbraw/zinc/06/06/41/685060641.db2.gz MLLFEAQTLCEWIJ-MNOVXSKESA-N 0 0 311.411 0.562 10 0 DCAERN C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCC1 ZINC000083148680 685084701 /nfs/dbraw/zinc/08/47/01/685084701.db2.gz OLHOBNYUKBQMEH-VIFPVBQESA-N 0 0 317.345 0.978 10 0 DCAERN NC(=O)NCCNC(=O)c1ccc(F)cc1Br ZINC000096726610 685112598 /nfs/dbraw/zinc/11/25/98/685112598.db2.gz JDTIOSNOGBIUSG-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)CNC(=O)c2ccccn2)c1 ZINC000178052329 685150347 /nfs/dbraw/zinc/15/03/47/685150347.db2.gz JPNFKHLVAYLEDM-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190277587 685153170 /nfs/dbraw/zinc/15/31/70/685153170.db2.gz XLXYUNKAUNNVOL-AAEUAGOBSA-N 0 0 322.413 0.686 10 0 DCAERN CN(C[C@H]1CCCO1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000245440164 685156984 /nfs/dbraw/zinc/15/69/84/685156984.db2.gz UHFDRFMVOQXQNJ-UONOGXRCSA-N 0 0 320.393 0.406 10 0 DCAERN CCOCCN1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@H]1C ZINC000247116674 685169865 /nfs/dbraw/zinc/16/98/65/685169865.db2.gz JHNCKMVZEWORIG-HUUCEWRRSA-N 0 0 313.442 0.276 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159830 685170591 /nfs/dbraw/zinc/17/05/91/685170591.db2.gz QNBSDCMRYVAVCC-GXFFZTMASA-N 0 0 320.361 0.622 10 0 DCAERN CC(C)C[C@@H]1NC(=O)N(CN2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000249392793 685179560 /nfs/dbraw/zinc/17/95/60/685179560.db2.gz ZBNLYGUZXFNKGC-CABZTGNLSA-N 0 0 323.315 0.910 10 0 DCAERN Cn1ncc(C(=O)N2CCO[C@H](CO)C2)c1Br ZINC000379221963 685236148 /nfs/dbraw/zinc/23/61/48/685236148.db2.gz UHKWVTDAQJRRBL-ZETCQYMHSA-N 0 0 304.144 0.016 10 0 DCAERN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2C[C@@H]3C[C@@H]3C2)c1 ZINC000380325075 685236554 /nfs/dbraw/zinc/23/65/54/685236554.db2.gz JJVSCUJOMXDZHY-DTORHVGOSA-N 0 0 319.379 0.870 10 0 DCAERN O=c1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)n[nH]1 ZINC000392804479 1157738050 /nfs/dbraw/zinc/73/80/50/1157738050.db2.gz YVUYDJJZEMELDG-UHFFFAOYSA-N 0 0 300.727 0.709 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NC[C@@H]1CNC(=O)C1 ZINC000398338175 1158116226 /nfs/dbraw/zinc/11/62/26/1158116226.db2.gz BXOWDWGGVSUJLS-ZETCQYMHSA-N 0 0 312.167 0.897 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000228323743 1158458043 /nfs/dbraw/zinc/45/80/43/1158458043.db2.gz DEWKMTWNTVMINS-VIFPVBQESA-N 0 0 302.356 0.146 10 0 DCAERN CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(N)cc1F ZINC000043592877 1171547625 /nfs/dbraw/zinc/54/76/25/1171547625.db2.gz ZZYOQQUNTWOQOG-VIFPVBQESA-N 0 0 317.386 0.991 10 0 DCAERN C#CCN(C(=S)NC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000054974972 1171862340 /nfs/dbraw/zinc/86/23/40/1171862340.db2.gz GPYKZWOEDSODNV-RYUDHWBXSA-N 0 0 316.448 0.162 10 0 DCAERN Cc1cnn(CCC(=O)NCCNC(=O)c2ccccc2O)c1 ZINC000055382632 1171877741 /nfs/dbraw/zinc/87/77/41/1171877741.db2.gz QAVVSBCVTGRYKS-UHFFFAOYSA-N 0 0 316.361 0.833 10 0 DCAERN O=C(CN1C(=O)CNC1=O)NCc1cnn(-c2ccccc2)c1 ZINC000073559857 1173914967 /nfs/dbraw/zinc/91/49/67/1173914967.db2.gz IZHXPROOHHIVKT-UHFFFAOYSA-N 0 0 313.317 0.040 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1CCCNC(=O)C1 ZINC000124046117 1177096852 /nfs/dbraw/zinc/09/68/52/1177096852.db2.gz VQOIVSCELGYRDF-UHFFFAOYSA-N 0 0 312.167 0.993 10 0 DCAERN CCN(CCCNC(=O)c1ncccc1N)S(C)(=O)=O ZINC000132549693 1177525057 /nfs/dbraw/zinc/52/50/57/1177525057.db2.gz QDIWBYNKBFGXIU-UHFFFAOYSA-N 0 0 300.384 0.065 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000153489304 1180549026 /nfs/dbraw/zinc/54/90/26/1180549026.db2.gz FBPCRGIQZCKQOS-CYBMUJFWSA-N 0 0 314.407 0.426 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155690645 1180554965 /nfs/dbraw/zinc/55/49/65/1180554965.db2.gz MYXONVLGHFBVTK-MRVPVSSYSA-N 0 0 300.384 0.084 10 0 DCAERN O=C(NCCNC(=O)c1ccc(=O)[nH]n1)c1cccc(F)c1 ZINC000169842323 1183609996 /nfs/dbraw/zinc/60/99/96/1183609996.db2.gz WCZUIBUQFMEOKR-UHFFFAOYSA-N 0 0 304.281 0.069 10 0 DCAERN COCCOCC(=O)N1CCC(NC(=O)c2ccncc2)CC1 ZINC000169873590 1183616362 /nfs/dbraw/zinc/61/63/62/1183616362.db2.gz BCRIJKHSLOZVII-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN COC(=O)[C@](C)(NC(=O)Cn1nnc2ccccc21)C1CC1 ZINC000172465750 1183850716 /nfs/dbraw/zinc/85/07/16/1183850716.db2.gz UHFBAMVMBLUXQV-OAHLLOKOSA-N 0 0 302.334 0.889 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000177005744 1184225643 /nfs/dbraw/zinc/22/56/43/1184225643.db2.gz CQGIFNZGQGPXST-DGCLKSJQSA-N 0 0 313.361 0.701 10 0 DCAERN CCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[nH]1 ZINC000182237081 1185185271 /nfs/dbraw/zinc/18/52/71/1185185271.db2.gz XTVGCULALCEFCO-GXFFZTMASA-N 0 0 314.349 0.920 10 0 DCAERN C[C@H]1CC[C@](CO)(N(C)Cc2nc(CS(C)(=O)=O)no2)C1 ZINC000187918910 1187581532 /nfs/dbraw/zinc/58/15/32/1187581532.db2.gz CUXFHKCILCVHDH-GWCFXTLKSA-N 0 0 317.411 0.597 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000193152694 1187978952 /nfs/dbraw/zinc/97/89/52/1187978952.db2.gz NILQHSHMXDWJSS-UHFFFAOYSA-N 0 0 309.410 0.523 10 0 DCAERN Cc1ncn(CCN2CCOC2=O)c(=O)c1Br ZINC000403203927 1190146045 /nfs/dbraw/zinc/14/60/45/1190146045.db2.gz CAXUMNVJGZVNDI-UHFFFAOYSA-N 0 0 302.128 0.766 10 0 DCAERN CC(CO)(CO)CNC(=O)c1cc(Br)ccc1N ZINC000393856858 1190702204 /nfs/dbraw/zinc/70/22/04/1190702204.db2.gz ZLAXDVBLDQHDND-UHFFFAOYSA-N 0 0 317.183 0.752 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@H](O)[C@H](C)C1 ZINC000588527860 747408078 /nfs/dbraw/zinc/40/80/78/747408078.db2.gz VTDQXYWQPFTAFF-DYEKYZERSA-N 0 0 306.410 0.917 10 0 DCAERN COC(C)(C)CCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588562247 747444057 /nfs/dbraw/zinc/44/40/57/747444057.db2.gz YEULENFLTCAQED-SREVYHEPSA-N 0 0 310.350 0.456 10 0 DCAERN CCC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000169847319 757077005 /nfs/dbraw/zinc/07/70/05/757077005.db2.gz ANSJLXCGMYZUMG-CYBMUJFWSA-N 0 0 309.410 0.714 10 0 DCAERN O=C(NC[C@@H](O)CO)c1ccccc1I ZINC000085232814 773442314 /nfs/dbraw/zinc/44/23/14/773442314.db2.gz UCYMIGHSADSAHY-SSDOTTSWSA-N 0 0 321.114 0.374 10 0 DCAERN C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1cccnc1F ZINC000401837458 774067497 /nfs/dbraw/zinc/06/74/97/774067497.db2.gz PGQCVIFMKLMZEE-VIFPVBQESA-N 0 0 301.343 0.510 10 0 DCAERN C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccnc1F ZINC000401850856 774068838 /nfs/dbraw/zinc/06/88/38/774068838.db2.gz WOSXOOQRQYRSSY-JTQLQIEISA-N 0 0 303.359 0.220 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1F ZINC000401954818 774072139 /nfs/dbraw/zinc/07/21/39/774072139.db2.gz XWTFMSDCHSYQJJ-VIFPVBQESA-N 0 0 301.343 0.462 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC=C(Br)C1 ZINC000404368247 774130406 /nfs/dbraw/zinc/13/04/06/774130406.db2.gz UWZKDPZTOJSRSD-MRVPVSSYSA-N 0 0 308.197 0.932 10 0 DCAERN CN(CCn1cnnc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000707182925 939237500 /nfs/dbraw/zinc/23/75/00/939237500.db2.gz KTOUHIBMDIZNEW-UHFFFAOYSA-N 0 0 301.759 0.647 10 0 DCAERN Nc1ncc(S(=O)(=O)NCCCOc2ccccc2)cn1 ZINC000052092763 1171770254 /nfs/dbraw/zinc/77/02/54/1171770254.db2.gz NRHKGGCPXYBKOU-UHFFFAOYSA-N 0 0 308.363 0.806 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2cncc(Br)c2)C1 ZINC000311007363 231116687 /nfs/dbraw/zinc/11/66/87/231116687.db2.gz LANYGAQUUNPKMV-LBPRGKRZSA-N 0 0 314.183 0.656 10 0 DCAERN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1cnnn1C ZINC000328597106 231235960 /nfs/dbraw/zinc/23/59/60/231235960.db2.gz DNTZRJZHZLMTAY-RYUDHWBXSA-N 0 0 321.425 0.852 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2cccs2)n1 ZINC000328631299 231267358 /nfs/dbraw/zinc/26/73/58/231267358.db2.gz QUSOFTITRSRGSU-DTWKUNHWSA-N 0 0 315.376 0.936 10 0 DCAERN CCc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)oc1CC ZINC000152488786 529513944 /nfs/dbraw/zinc/51/39/44/529513944.db2.gz UPVCNDHEMZLCDV-LLVKDONJSA-N 0 0 322.361 0.908 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000284864158 536786178 /nfs/dbraw/zinc/78/61/78/536786178.db2.gz DBIKSXHRFLXXNF-WDEREUQCSA-N 0 0 303.355 0.904 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(N2CCCC2)nn1 ZINC000177541231 303969233 /nfs/dbraw/zinc/96/92/33/303969233.db2.gz OHKYSMMNLWQGHZ-NSHDSACASA-N 0 0 313.365 0.933 10 0 DCAERN [NH3+][C@@H](CSc1nnc(CCCO)n1-c1ccccc1)C(=O)[O-] ZINC000090729864 185311674 /nfs/dbraw/zinc/31/16/74/185311674.db2.gz TXVNNWSRYNJMJM-NSHDSACASA-N 0 0 322.390 0.696 10 0 DCAERN CC[C@@H](O)CCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181381795 199288412 /nfs/dbraw/zinc/28/84/12/199288412.db2.gz WRYHXXIFADYERX-SNVBAGLBSA-N 0 0 317.411 0.166 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000286641609 219098679 /nfs/dbraw/zinc/09/86/79/219098679.db2.gz DULREUMYMYPWJC-CZUORRHYSA-N 0 0 304.346 0.610 10 0 DCAERN CN1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)ncn2)CCC1=O ZINC000246714327 529829812 /nfs/dbraw/zinc/82/98/12/529829812.db2.gz UAHWZKKMVRMZDT-CHWSQXEVSA-N 0 0 319.409 0.718 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCNC(=O)c1cccs1 ZINC000186931449 529853627 /nfs/dbraw/zinc/85/36/27/529853627.db2.gz URKIFMRSCOPCCX-UHFFFAOYSA-N 0 0 311.407 0.892 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000179213724 529924936 /nfs/dbraw/zinc/92/49/36/529924936.db2.gz MEKWAOAUPIPQEK-SNVBAGLBSA-N 0 0 300.384 0.363 10 0 DCAERN Cc1ccccc1SCC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000330722529 232019756 /nfs/dbraw/zinc/01/97/56/232019756.db2.gz HQDFNGUQSRKWDZ-NSHDSACASA-N 0 0 314.432 0.977 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cnn(C)c1)CC2 ZINC000181735004 199345675 /nfs/dbraw/zinc/34/56/75/199345675.db2.gz LAVNNCPNKKBQRV-JTQLQIEISA-N 0 0 324.410 0.428 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnsn1 ZINC000109106651 185552112 /nfs/dbraw/zinc/55/21/12/185552112.db2.gz FZWTZLMREWAKAG-LLVKDONJSA-N 0 0 304.375 0.967 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCS1(=O)=O ZINC000172370619 290773751 /nfs/dbraw/zinc/77/37/51/290773751.db2.gz NJQQRALEIBYHTJ-QMMMGPOBSA-N 0 0 309.347 0.115 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc2ccccc2c(=O)o1 ZINC000286839661 219190951 /nfs/dbraw/zinc/19/09/51/219190951.db2.gz MMQASXKPYJCAPT-KOLCDFICSA-N 0 0 304.277 0.831 10 0 DCAERN CN[C@@H](CCn1cc(I)cn1)C(=O)OC ZINC000070678729 545663092 /nfs/dbraw/zinc/66/30/92/545663092.db2.gz POBWKBRJFRHLPB-QMMMGPOBSA-N 0 0 323.134 0.639 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000286943555 219237279 /nfs/dbraw/zinc/23/72/79/219237279.db2.gz QYQHUKNLTNBPJD-OCCSQVGLSA-N 0 0 321.352 0.561 10 0 DCAERN Cn1ccnc1[C@H]1CN(CC(=O)NC[C@H]2CCCO2)CCN1C ZINC000279885527 215207284 /nfs/dbraw/zinc/20/72/84/215207284.db2.gz CRQVJMMEGCTOPR-ZIAGYGMSSA-N 0 0 321.425 0.004 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H](C(N)=O)C(C)C ZINC000287022757 219274320 /nfs/dbraw/zinc/27/43/20/219274320.db2.gz VDEMWWIYPQCENZ-JTQLQIEISA-N 0 0 305.787 0.832 10 0 DCAERN Cn1nc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1=O ZINC000076248937 545677070 /nfs/dbraw/zinc/67/70/70/545677070.db2.gz FBDRXFPRZFNWOY-RYUDHWBXSA-N 0 0 323.418 0.907 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000171488289 186167653 /nfs/dbraw/zinc/16/76/53/186167653.db2.gz WQKATRYTKVZIFO-KGLIPLIRSA-N 0 0 301.346 0.917 10 0 DCAERN COC(=O)c1cc2cc(CN3CCOC[C@H]3C(N)=O)ccc2o1 ZINC000179728697 186211391 /nfs/dbraw/zinc/21/13/91/186211391.db2.gz FOHULUWXWVJBBK-LBPRGKRZSA-N 0 0 318.329 0.906 10 0 DCAERN COc1c(C)cc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1C ZINC000179730969 186211904 /nfs/dbraw/zinc/21/19/04/186211904.db2.gz FABVIKYWULSQIV-OAHLLOKOSA-N 0 0 322.405 0.735 10 0 DCAERN CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCCOC2)c2ccccn21 ZINC000171675159 197964040 /nfs/dbraw/zinc/96/40/40/197964040.db2.gz HVPZGEYMVYJLCK-SNVBAGLBSA-N 0 0 323.374 0.647 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000172054336 198032213 /nfs/dbraw/zinc/03/22/13/198032213.db2.gz ACLICSMGQYIJGH-OCCSQVGLSA-N 0 0 312.435 0.709 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCc2ccsc2)C1 ZINC000172058241 198032703 /nfs/dbraw/zinc/03/27/03/198032703.db2.gz QYSCWZHTYSGJHU-SNVBAGLBSA-N 0 0 303.409 0.581 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)c1 ZINC000172126659 198043044 /nfs/dbraw/zinc/04/30/44/198043044.db2.gz ACNXJROZILCBMU-UWVGGRQHSA-N 0 0 318.299 0.765 10 0 DCAERN CN1CCCN(c2cc(C(F)(F)F)nc3ncnn32)CC1=O ZINC000191865100 282780417 /nfs/dbraw/zinc/78/04/17/282780417.db2.gz LEWVPZBPFUMPLA-UHFFFAOYSA-N 0 0 314.271 0.812 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](C3OCCO3)C2)c1 ZINC000172291315 198072124 /nfs/dbraw/zinc/07/21/24/198072124.db2.gz LHZUYRQXHJSGTO-CYBMUJFWSA-N 0 0 308.382 0.986 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC[C@H](OCCO)C2)cc1 ZINC000172298226 198074143 /nfs/dbraw/zinc/07/41/43/198074143.db2.gz QPLCDCVVJDVSQB-INIZCTEOSA-N 0 0 322.405 0.785 10 0 DCAERN Cc1n[nH]cc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172350089 198083368 /nfs/dbraw/zinc/08/33/68/198083368.db2.gz FRXPHTZLLWPDOG-UHFFFAOYSA-N 0 0 312.337 0.118 10 0 DCAERN O=C(C[C@H]1CCCO1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172349887 198083927 /nfs/dbraw/zinc/08/39/27/198083927.db2.gz JQGCCDQKTFVDGJ-GFCCVEGCSA-N 0 0 316.365 0.342 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1nc(C(F)(F)F)nn12 ZINC000072462357 191173409 /nfs/dbraw/zinc/17/34/09/191173409.db2.gz WSRSTYFTQFUTGA-UHFFFAOYSA-N 0 0 315.215 0.140 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000172964151 198171008 /nfs/dbraw/zinc/17/10/08/198171008.db2.gz QRZWVYMUEVMQDI-GFCCVEGCSA-N 0 0 319.390 0.739 10 0 DCAERN CCn1c(=O)[nH]nc1S[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000172908136 198166804 /nfs/dbraw/zinc/16/68/04/198166804.db2.gz ADTJQBYBVXUUPE-SECBINFHSA-N 0 0 322.394 0.531 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000072897138 191249442 /nfs/dbraw/zinc/24/94/42/191249442.db2.gz CZWCUDOQBAZPQD-NXEZZACHSA-N 0 0 320.393 0.757 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000173182109 198192932 /nfs/dbraw/zinc/19/29/32/198192932.db2.gz GFRFYGYXYOQUCQ-VIFPVBQESA-N 0 0 321.395 0.942 10 0 DCAERN COCc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000173407411 198212626 /nfs/dbraw/zinc/21/26/26/198212626.db2.gz LUHLWBZSSLSAKL-BXUZGUMPSA-N 0 0 309.366 0.614 10 0 DCAERN COCCN1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173512927 198222548 /nfs/dbraw/zinc/22/25/48/198222548.db2.gz HIULVJPWXRVNQW-AWEZNQCLSA-N 0 0 321.425 0.098 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC[C@H](C)O)C2=O)n(C)n1 ZINC000173565991 198228332 /nfs/dbraw/zinc/22/83/32/198228332.db2.gz UXTIMMVNJJKOSO-NWDGAFQWSA-N 0 0 323.397 0.294 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000173694348 198241621 /nfs/dbraw/zinc/24/16/21/198241621.db2.gz VECBFULBQXIURG-ZDUSSCGKSA-N 0 0 323.360 0.912 10 0 DCAERN Cc1cc(C)n(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000173841824 198259611 /nfs/dbraw/zinc/25/96/11/198259611.db2.gz HVVBXOZWVLAQFX-WFASDCNBSA-N 0 0 306.410 0.679 10 0 DCAERN O=C(NCCCn1ccnc1)N1CCC[C@H](n2cncn2)C1 ZINC000174017098 198281508 /nfs/dbraw/zinc/28/15/08/198281508.db2.gz AFXWVEOXRHGXNL-ZDUSSCGKSA-N 0 0 303.370 0.911 10 0 DCAERN O=C(Cc1ccc(OC(F)F)cc1)N[C@H]1CCC(=O)NC1=O ZINC000174273596 198313391 /nfs/dbraw/zinc/31/33/91/198313391.db2.gz QKRRBYMVDDOIRB-JTQLQIEISA-N 0 0 312.272 0.752 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174997473 198413056 /nfs/dbraw/zinc/41/30/56/198413056.db2.gz GNSJTBFNNYYITA-YNEHKIRRSA-N 0 0 320.393 0.765 10 0 DCAERN CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1-c1ccccc1 ZINC000004259568 181089716 /nfs/dbraw/zinc/08/97/16/181089716.db2.gz CZGLHTXVEDWLNZ-IGQOVBAYSA-N 0 0 315.333 0.184 10 0 biogenic DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000074752395 191354805 /nfs/dbraw/zinc/35/48/05/191354805.db2.gz XFCUWYRGJSZFNF-ZDUSSCGKSA-N 0 0 319.361 0.613 10 0 DCAERN CN(C(=O)c1ccc2c(c1)NC(=O)CO2)[C@H]1CCS(=O)(=O)C1 ZINC000074952984 191394903 /nfs/dbraw/zinc/39/49/03/191394903.db2.gz DUHXGGHBHSILRG-JTQLQIEISA-N 0 0 324.358 0.277 10 0 DCAERN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000076097614 191578386 /nfs/dbraw/zinc/57/83/86/191578386.db2.gz KGEKKFNAMWOIHH-BXKDBHETSA-N 0 0 310.375 0.943 10 0 DCAERN CN1CC[C@H](N2CCCc3c(OCC(N)=O)cccc32)C1=O ZINC000451660666 283117377 /nfs/dbraw/zinc/11/73/77/283117377.db2.gz GSFOTRFAOHBXEU-ZDUSSCGKSA-N 0 0 303.362 0.534 10 0 DCAERN CN(CC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000080984273 192208825 /nfs/dbraw/zinc/20/88/25/192208825.db2.gz WLXZCFQUPYZXCG-TZMCWYRMSA-N 0 0 312.391 0.524 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)CCC1CCN(C(C)=O)CC1 ZINC000081442558 192267276 /nfs/dbraw/zinc/26/72/76/192267276.db2.gz NRNPPHMDIMLRIE-LBPRGKRZSA-N 0 0 311.426 0.866 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCC1=O ZINC000265730655 283236531 /nfs/dbraw/zinc/23/65/31/283236531.db2.gz BKTPBGWERXAERM-NWDGAFQWSA-N 0 0 305.382 0.920 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)CCC1=O ZINC000081497618 283238397 /nfs/dbraw/zinc/23/83/97/283238397.db2.gz KWVHPHQTJAEJNE-LDYMZIIASA-N 0 0 309.288 0.316 10 0 DCAERN COc1ccc(CN(C)C(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000179172090 198994012 /nfs/dbraw/zinc/99/40/12/198994012.db2.gz GACDYIQRNVVADT-ZIAGYGMSSA-N 0 0 308.378 0.081 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC2(O)CCCCC2)cn1 ZINC000179457573 199039570 /nfs/dbraw/zinc/03/95/70/199039570.db2.gz AXEQYGFFZLZTRX-UHFFFAOYSA-N 0 0 309.370 0.446 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1ccc(F)cc1Cl ZINC000180210549 199130856 /nfs/dbraw/zinc/13/08/56/199130856.db2.gz UNZZFUQONGNCJI-JTQLQIEISA-N 0 0 316.716 0.571 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180337699 199146843 /nfs/dbraw/zinc/14/68/43/199146843.db2.gz VJOJVWFCMYMNOW-STQMWFEESA-N 0 0 309.414 0.843 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCCCOCCO)CC2=O)cc1 ZINC000180367050 199150125 /nfs/dbraw/zinc/15/01/25/199150125.db2.gz DKIYTFXYKFZYOA-AWEZNQCLSA-N 0 0 320.389 0.863 10 0 DCAERN COCC[C@@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180455701 199161572 /nfs/dbraw/zinc/16/15/72/199161572.db2.gz QZIBCAAKVDKHLI-SNVBAGLBSA-N 0 0 317.349 0.951 10 0 DCAERN Cc1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)n1 ZINC000180485300 199165582 /nfs/dbraw/zinc/16/55/82/199165582.db2.gz KIJUQVONAQUQSP-XHDPSFHLSA-N 0 0 304.394 0.886 10 0 DCAERN CC[C@@H](O)CCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180617249 199186405 /nfs/dbraw/zinc/18/64/05/199186405.db2.gz SMEJDMFXUHMMST-SNVBAGLBSA-N 0 0 317.349 0.687 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000180767820 199206377 /nfs/dbraw/zinc/20/63/77/199206377.db2.gz DTOKVSLVJBYQRE-LBPRGKRZSA-N 0 0 308.382 0.579 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000128255483 236963843 /nfs/dbraw/zinc/96/38/43/236963843.db2.gz LVSWKALOYSQUNY-STQMWFEESA-N 0 0 322.409 0.452 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)C1CCC(CO)CC1 ZINC000152038925 237003678 /nfs/dbraw/zinc/00/36/78/237003678.db2.gz NSBOGEBMECPJKF-KBHBFKLGSA-N 0 0 320.455 0.823 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000152804417 237010118 /nfs/dbraw/zinc/01/01/18/237010118.db2.gz RSVPFOIEIHMFHC-MRXNPFEDSA-N 0 0 317.345 0.063 10 0 DCAERN C[C@]1(O)CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000152853120 237011614 /nfs/dbraw/zinc/01/16/14/237011614.db2.gz DKUDAFXQWLNEPY-INIZCTEOSA-N 0 0 301.346 0.770 10 0 DCAERN C[C@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1N1CCOCC1 ZINC000156653080 237049625 /nfs/dbraw/zinc/04/96/25/237049625.db2.gz JSOVNRFZWDYKSF-RYUDHWBXSA-N 0 0 311.455 0.757 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)C[S@](=O)C2CCCCC2)C1 ZINC000157149746 237054561 /nfs/dbraw/zinc/05/45/61/237054561.db2.gz LQQYUWJPBSOKCA-BIBXISHDSA-N 0 0 300.424 0.792 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)C[S@@](=O)C2CCCCC2)C1 ZINC000157149906 237054866 /nfs/dbraw/zinc/05/48/66/237054866.db2.gz LQQYUWJPBSOKCA-GIPWTMENSA-N 0 0 300.424 0.792 10 0 DCAERN CN(C)S(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158513336 237067991 /nfs/dbraw/zinc/06/79/91/237067991.db2.gz OCMWRXHIRIQCNS-BXKDBHETSA-N 0 0 306.334 0.879 10 0 DCAERN C[S@](=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000163847793 237117372 /nfs/dbraw/zinc/11/73/72/237117372.db2.gz HCHCDYKUCBURHT-GOSISDBHSA-N 0 0 304.393 0.413 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000167694674 237126899 /nfs/dbraw/zinc/12/68/99/237126899.db2.gz CYUILCCQBQMFRD-QWHCGFSZSA-N 0 0 313.423 0.876 10 0 DCAERN COc1ccc2c(c1)N(C[C@@H](O)CN1CCCC1=O)CCO2 ZINC000174122115 237168343 /nfs/dbraw/zinc/16/83/43/237168343.db2.gz CUMRQDXLYUNGPL-GFCCVEGCSA-N 0 0 306.362 0.877 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000178070713 237217884 /nfs/dbraw/zinc/21/78/84/237217884.db2.gz JANGKJSSUZDDHC-PWSUYJOCSA-N 0 0 304.412 0.484 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000178070701 237218609 /nfs/dbraw/zinc/21/86/09/237218609.db2.gz JANGKJSSUZDDHC-CMPLNLGQSA-N 0 0 304.412 0.484 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N[C@H]1CCC(=O)NC1=O ZINC000089752550 192858178 /nfs/dbraw/zinc/85/81/78/192858178.db2.gz NVHFTCMUCPHDOT-JTQLQIEISA-N 0 0 311.363 0.446 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)NCCC1CCCC1 ZINC000176566006 237203874 /nfs/dbraw/zinc/20/38/74/237203874.db2.gz JFFABKXGJUHHSF-UHFFFAOYSA-N 0 0 312.457 0.425 10 0 DCAERN Cn1ncc2c1nnn(CC(=O)Nc1cc(F)cc(F)c1)c2=O ZINC000177601116 237212858 /nfs/dbraw/zinc/21/28/58/237212858.db2.gz LPXNPJKTFCPRCQ-UHFFFAOYSA-N 0 0 320.259 0.442 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCN(CCO)[C@@H](C)C2)n1 ZINC000187286382 200089344 /nfs/dbraw/zinc/08/93/44/200089344.db2.gz AHNYXJRPFUSPML-ZDUSSCGKSA-N 0 0 324.450 0.711 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)nc1C ZINC000184985008 237296391 /nfs/dbraw/zinc/29/63/91/237296391.db2.gz GRJNQGWWLSSVRX-GFCCVEGCSA-N 0 0 306.366 0.067 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)O1 ZINC000187321933 200094861 /nfs/dbraw/zinc/09/48/61/200094861.db2.gz VRHJBBIODNNGIZ-QMMMGPOBSA-N 0 0 302.352 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@H](CO)O1 ZINC000187951278 200181143 /nfs/dbraw/zinc/18/11/43/200181143.db2.gz ASPBDRUNZKTJRH-GHMZBOCLSA-N 0 0 311.382 0.908 10 0 DCAERN C[C@H]1CCSCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000190094556 237421020 /nfs/dbraw/zinc/42/10/20/237421020.db2.gz MSIFULYEROMTRC-JTQLQIEISA-N 0 0 321.406 0.484 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1sc(C)nc1C ZINC000281119914 216092285 /nfs/dbraw/zinc/09/22/85/216092285.db2.gz HINPZNNDHTULIQ-QMMMGPOBSA-N 0 0 322.433 0.997 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)c2cn3ccnc3s2)C1=O ZINC000188609728 200274380 /nfs/dbraw/zinc/27/43/80/200274380.db2.gz ARLMHYSFERGGMJ-MRVPVSSYSA-N 0 0 306.347 0.662 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)C1CCCC1 ZINC000188687547 200287909 /nfs/dbraw/zinc/28/79/09/200287909.db2.gz LVCSIWNETFUZHP-SWLSCSKDSA-N 0 0 311.426 0.206 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000153683397 291208305 /nfs/dbraw/zinc/20/83/05/291208305.db2.gz PNLZPEKEXWAXFF-RYUDHWBXSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000154032552 291210277 /nfs/dbraw/zinc/21/02/77/291210277.db2.gz TXDLMNITBSWUEB-RYUDHWBXSA-N 0 0 313.361 0.993 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2ccnn2)cc1 ZINC000154085647 291210881 /nfs/dbraw/zinc/21/08/81/291210881.db2.gz PIDDPLCTKMSJOD-LLVKDONJSA-N 0 0 324.344 0.852 10 0 DCAERN CCCCOCCNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155366555 291219081 /nfs/dbraw/zinc/21/90/81/291219081.db2.gz MIELAZJGJYQMLR-LBPRGKRZSA-N 0 0 306.428 0.038 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000155817526 291221658 /nfs/dbraw/zinc/22/16/58/291221658.db2.gz DRMXHQJJVDAIQL-UHFFFAOYSA-N 0 0 308.382 0.765 10 0 DCAERN Cn1cc(NC(=O)C(=O)NCCc2cc(F)ccc2F)cn1 ZINC000158163664 291230610 /nfs/dbraw/zinc/23/06/10/291230610.db2.gz CFWHEWSAVDDSJI-UHFFFAOYSA-N 0 0 308.288 0.996 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)NCCC1=CCCC1 ZINC000159079647 291233383 /nfs/dbraw/zinc/23/33/83/291233383.db2.gz NADAMVJDKXHYCP-UHFFFAOYSA-N 0 0 310.441 0.346 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000246689393 238160479 /nfs/dbraw/zinc/16/04/79/238160479.db2.gz BLHPNRIZYTUFPZ-GXTWGEPZSA-N 0 0 307.398 0.867 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000281339374 216231603 /nfs/dbraw/zinc/23/16/03/216231603.db2.gz UQSHBOUNRHCIPX-UHFFFAOYSA-N 0 0 309.391 0.254 10 0 DCAERN Cn1ccc(NC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)n1 ZINC000275680234 238309654 /nfs/dbraw/zinc/30/96/54/238309654.db2.gz MARMKKSNXICIJD-ZDUSSCGKSA-N 0 0 307.398 0.995 10 0 DCAERN OC[C@@H]1CN(c2ncc(I)cn2)CCO1 ZINC000165207614 291248322 /nfs/dbraw/zinc/24/83/22/291248322.db2.gz OVYVLADLLADPBM-QMMMGPOBSA-N 0 0 321.118 0.279 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000091498692 193065279 /nfs/dbraw/zinc/06/52/79/193065279.db2.gz KMFBYAOZKYKXBP-UHFFFAOYSA-N 0 0 319.404 0.926 10 0 DCAERN NC(=O)CN1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 ZINC000091769612 193104657 /nfs/dbraw/zinc/10/46/57/193104657.db2.gz UVDKCUDKDNVIQJ-UHFFFAOYSA-N 0 0 302.378 0.205 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](CC)COC)CC12COC2 ZINC000454554575 240791263 /nfs/dbraw/zinc/79/12/63/240791263.db2.gz YNOXWWDIUMAMBU-RYUDHWBXSA-N 0 0 314.382 0.633 10 0 DCAERN Cc1cccc(OCCC(=O)N2CCOC[C@@H]2C(N)=O)c1C ZINC000091779060 193106039 /nfs/dbraw/zinc/10/60/39/193106039.db2.gz VXMSDVXZIITPKW-CYBMUJFWSA-N 0 0 306.362 0.785 10 0 DCAERN Cc1ccc(OCCC(=O)N2CCOC[C@@H]2C(N)=O)cc1C ZINC000091783170 193107400 /nfs/dbraw/zinc/10/74/00/193107400.db2.gz MYITUHCEXSNBNW-CQSZACIVSA-N 0 0 306.362 0.785 10 0 DCAERN C[C@@H](CCOc1ccccc1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091783711 193107579 /nfs/dbraw/zinc/10/75/79/193107579.db2.gz YIQQFPXQUXMJEZ-JSGCOSHPSA-N 0 0 306.362 0.804 10 0 DCAERN COc1ccc(C[C@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783621 193107923 /nfs/dbraw/zinc/10/79/23/193107923.db2.gz HFKJLKOGBDXZGK-SMDDNHRTSA-N 0 0 306.362 0.587 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](OC)[C@@H](C)C2)C1 ZINC000454680324 240802693 /nfs/dbraw/zinc/80/26/93/240802693.db2.gz OLMSHDCNCLFLAM-AVGNSLFASA-N 0 0 312.414 0.857 10 0 DCAERN CN(C)c1ccc(NC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000091983980 193136361 /nfs/dbraw/zinc/13/63/61/193136361.db2.gz OONFAYHFVAXYIO-HNNXBMFYSA-N 0 0 322.409 0.567 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCN[C@@H](c2cccnc2)C1 ZINC000330178645 296084925 /nfs/dbraw/zinc/08/49/25/296084925.db2.gz DVXDZFWVAAWYFH-CAOSSQGBSA-N 0 0 317.389 0.606 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC000457577949 241017959 /nfs/dbraw/zinc/01/79/59/241017959.db2.gz MRXRXXIKDGCKPM-SNVBAGLBSA-N 0 0 313.375 0.945 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cn2ccnc2C)CC1 ZINC000457758862 241033795 /nfs/dbraw/zinc/03/37/95/241033795.db2.gz ZSIQXRYZWQWPAP-UHFFFAOYSA-N 0 0 308.382 0.287 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000489930096 241102592 /nfs/dbraw/zinc/10/25/92/241102592.db2.gz BPCMSFMIGAZWSO-CMPLNLGQSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1CN(C(=O)CN2c3ccccc3OCC2=O)CCC1=O ZINC000275266853 212234526 /nfs/dbraw/zinc/23/45/26/212234526.db2.gz PYYDXBMEVCHHLX-LLVKDONJSA-N 0 0 302.330 0.850 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C(C)=O)C2)C[C@H]1C ZINC000408297300 284033613 /nfs/dbraw/zinc/03/36/13/284033613.db2.gz HOFWOFVKHMUDRJ-RAIGVLPGSA-N 0 0 311.382 0.448 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000367675941 291444060 /nfs/dbraw/zinc/44/40/60/291444060.db2.gz RGZYKBOHVFVNDJ-SMTWKSNJSA-N 0 0 311.378 0.981 10 0 DCAERN CC(=O)Nc1ccc(S[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000007206009 181445575 /nfs/dbraw/zinc/44/55/75/181445575.db2.gz XFDXZGHIFZYRMM-NWDGAFQWSA-N 0 0 301.389 0.895 10 0 DCAERN COc1ccc(CNC(=O)C(=O)NCc2ccn(C)n2)c(C)c1 ZINC000569136037 291463857 /nfs/dbraw/zinc/46/38/57/291463857.db2.gz TYDCHYJUWKHYEC-UHFFFAOYSA-N 0 0 316.361 0.670 10 0 DCAERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186940870 284149388 /nfs/dbraw/zinc/14/93/88/284149388.db2.gz YIFMRNSFOFPCHX-IUODEOHRSA-N 0 0 322.324 0.706 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000093223337 193218263 /nfs/dbraw/zinc/21/82/63/193218263.db2.gz GSRVZSLRZRWUGR-JTQLQIEISA-N 0 0 321.381 0.314 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](O)[C@@H]2Cc2cccnc2)c1 ZINC000096069819 193519738 /nfs/dbraw/zinc/51/97/38/193519738.db2.gz RVZPWCQMUBYRSF-QWHCGFSZSA-N 0 0 322.390 0.182 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000286842710 284203923 /nfs/dbraw/zinc/20/39/23/284203923.db2.gz SSXAOPXOBQRCPM-BIAAXOCRSA-N 0 0 318.377 0.710 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)C1(N2CCOCC2)CCC1 ZINC000408176361 284235983 /nfs/dbraw/zinc/23/59/83/284235983.db2.gz DYNUFALLPUHCAK-ZDUSSCGKSA-N 0 0 304.394 0.638 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCC(C)CC1 ZINC000408206219 291507460 /nfs/dbraw/zinc/50/74/60/291507460.db2.gz NGRGLQXPAXHZJE-JTQLQIEISA-N 0 0 308.425 0.511 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@H](C)Cn1cncn1)CC2 ZINC000265082385 204385510 /nfs/dbraw/zinc/38/55/10/204385510.db2.gz KBRSLHXDSTWGOU-NEPJUHHUSA-N 0 0 321.381 0.651 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369129690 284277568 /nfs/dbraw/zinc/27/75/68/284277568.db2.gz HGRVZLQWTGNMLO-OAHLLOKOSA-N 0 0 313.398 0.444 10 0 DCAERN CCOC(=O)CC(=O)Nc1ccc(C(=O)NCCOC)cc1 ZINC000013617266 181869013 /nfs/dbraw/zinc/86/90/13/181869013.db2.gz QLLSGQSLNDGRMS-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)OCCO3)CC(=O)N1C ZINC000282610461 217124696 /nfs/dbraw/zinc/12/46/96/217124696.db2.gz QZMLKQGJVFZWCS-LLVKDONJSA-N 0 0 319.361 0.830 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000173573951 296186117 /nfs/dbraw/zinc/18/61/17/296186117.db2.gz AQUXLGOIYLKZLK-CHWSQXEVSA-N 0 0 320.455 0.130 10 0 DCAERN [NH3+][C@@H](CS[C@H]1CC(=O)N(c2cccc(O)c2)C1=O)C(=O)[O-] ZINC000016900336 182062961 /nfs/dbraw/zinc/06/29/61/182062961.db2.gz GHBUEXKTVGIPMZ-UWVGGRQHSA-N 0 0 310.331 0.169 10 0 DCAERN O=C(C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O)NCCO ZINC000016905685 182064154 /nfs/dbraw/zinc/06/41/54/182064154.db2.gz ZZWCOKJQQAXCAN-JTQLQIEISA-N 0 0 312.322 0.893 10 0 DCAERN C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000152208875 296203078 /nfs/dbraw/zinc/20/30/78/296203078.db2.gz RSPFOHZJQICJGC-YVECIDJPSA-N 0 0 306.428 0.576 10 0 DCAERN CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000020000538 182176188 /nfs/dbraw/zinc/17/61/88/182176188.db2.gz PHHHPHCFLVFBEO-QMMMGPOBSA-N 0 0 305.787 0.928 10 0 DCAERN Nc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000020193419 182196233 /nfs/dbraw/zinc/19/62/33/182196233.db2.gz OQGPMUPGHWTFHW-UHFFFAOYSA-N 0 0 305.359 0.846 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CCSC1 ZINC000366048181 284502136 /nfs/dbraw/zinc/50/21/36/284502136.db2.gz WWWDOJJFSOSFRV-DEKYYXRVSA-N 0 0 315.391 0.203 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000573263034 291621128 /nfs/dbraw/zinc/62/11/28/291621128.db2.gz NHIAAKJGZGGQQM-GFCCVEGCSA-N 0 0 315.439 0.852 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000573258031 291620798 /nfs/dbraw/zinc/62/07/98/291620798.db2.gz QPZGFVYPPNKHKL-GFCCVEGCSA-N 0 0 319.361 0.426 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000298207578 295073677 /nfs/dbraw/zinc/07/36/77/295073677.db2.gz JJKHXAQTYUPJCY-NSHDSACASA-N 0 0 320.397 0.379 10 0 DCAERN CCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1C ZINC000038085887 182988311 /nfs/dbraw/zinc/98/83/11/182988311.db2.gz XXDSOTQJNOFUKN-UHFFFAOYSA-N 0 0 307.393 0.456 10 0 DCAERN CCS(=O)(=O)CCOc1ccc(C)cc1S(N)(=O)=O ZINC000038085886 182988408 /nfs/dbraw/zinc/98/84/08/182988408.db2.gz YXZPIXWLDACQNF-UHFFFAOYSA-N 0 0 307.393 0.456 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)nc1 ZINC000126757273 295120388 /nfs/dbraw/zinc/12/03/88/295120388.db2.gz OYUZCNIZDXUQLY-QMMMGPOBSA-N 0 0 314.139 0.170 10 0 DCAERN CCNC(=O)Cn1c(CNC(=O)COC)nc2ccccc21 ZINC000040296471 183053056 /nfs/dbraw/zinc/05/30/56/183053056.db2.gz OUJFOXRBSNPGSW-UHFFFAOYSA-N 0 0 304.350 0.435 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCN(CC(N)=S)CC1 ZINC000041566286 183203408 /nfs/dbraw/zinc/20/34/08/183203408.db2.gz ZSJDPVBWAIBYSK-UHFFFAOYSA-N 0 0 313.448 0.587 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1NC1CCS(=O)CC1 ZINC000042353378 183257553 /nfs/dbraw/zinc/25/75/53/183257553.db2.gz MTELWRFOABKXSA-UHFFFAOYSA-N 0 0 302.421 0.965 10 0 DCAERN CC(C)[C@H](CNC(=O)N1CCN(C2CC2)CC1)N1CCOCC1 ZINC000105103804 194074224 /nfs/dbraw/zinc/07/42/24/194074224.db2.gz DSWHFLXYHYSOED-INIZCTEOSA-N 0 0 324.469 0.833 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105283402 194092100 /nfs/dbraw/zinc/09/21/00/194092100.db2.gz VUUWMDPQLLITEV-OAHLLOKOSA-N 0 0 322.409 0.570 10 0 DCAERN Cc1cc(C(=O)N(C)C[C@H]2CCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000105598923 194113695 /nfs/dbraw/zinc/11/36/95/194113695.db2.gz QHUULAGFNBGSDP-SNVBAGLBSA-N 0 0 304.350 0.821 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806107 194133843 /nfs/dbraw/zinc/13/38/43/194133843.db2.gz RXCDPDKLWVHITH-LLVKDONJSA-N 0 0 320.397 0.221 10 0 DCAERN CN(c1cccnn1)C1CCN(CC(=O)NCC2CC2)CC1 ZINC000105806834 194134095 /nfs/dbraw/zinc/13/40/95/194134095.db2.gz PODAMNQKKOHBPH-UHFFFAOYSA-N 0 0 303.410 0.903 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000105833431 194141363 /nfs/dbraw/zinc/14/13/63/194141363.db2.gz DMZKQVJZOXHFEW-CABCVRRESA-N 0 0 315.458 0.570 10 0 DCAERN CC(=O)N(C)CCc1noc(Cn2c3ccccc3[nH]c2=O)n1 ZINC000273815430 211084102 /nfs/dbraw/zinc/08/41/02/211084102.db2.gz KLUQYHXMFFIRPF-UHFFFAOYSA-N 0 0 315.333 0.782 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(Cc1nc(N)nc(N)n1)C2 ZINC000106372655 194202017 /nfs/dbraw/zinc/20/20/17/194202017.db2.gz QWCNBVDGROTHJQ-UHFFFAOYSA-N 0 0 302.386 0.451 10 0 DCAERN O=C(NCCCN1C(=O)CCC1=O)N1CCN(C2CC2)CC1 ZINC000106339861 194197865 /nfs/dbraw/zinc/19/78/65/194197865.db2.gz PENRYIXLAHJTID-UHFFFAOYSA-N 0 0 308.382 0.015 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000109326894 194257589 /nfs/dbraw/zinc/25/75/89/194257589.db2.gz QUUFCFPXGHRWKO-LLVKDONJSA-N 0 0 319.452 0.764 10 0 DCAERN CN1CCN(C(=O)CC2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000109789491 194285910 /nfs/dbraw/zinc/28/59/10/194285910.db2.gz NOMSBKRWBVKUNP-UHFFFAOYSA-N 0 0 322.453 0.141 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)C2(C)C)cc1C ZINC000109893165 194296831 /nfs/dbraw/zinc/29/68/31/194296831.db2.gz VMMUZOXEEIDDDN-UHFFFAOYSA-N 0 0 317.389 0.770 10 0 DCAERN O=C(CN1CCCCC1=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000110786468 194358172 /nfs/dbraw/zinc/35/81/72/194358172.db2.gz RKPMXFTYLZETCF-UHFFFAOYSA-N 0 0 314.349 0.495 10 0 DCAERN CC[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000111003688 194380278 /nfs/dbraw/zinc/38/02/78/194380278.db2.gz LADUAMITBQSZMM-WDEREUQCSA-N 0 0 319.365 0.156 10 0 DCAERN CCOCCN(CC)S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000111120120 194391856 /nfs/dbraw/zinc/39/18/56/194391856.db2.gz ILMIABJTUMRXNE-UHFFFAOYSA-N 0 0 319.383 0.634 10 0 DCAERN CS(=O)(=O)c1ccc(S[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000063131457 184272428 /nfs/dbraw/zinc/27/24/28/184272428.db2.gz YTDMNFSTDIZSLX-QWRGUYRKSA-N 0 0 322.429 0.340 10 0 DCAERN CCCCN(C(=O)CNC(=O)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000064883645 184305782 /nfs/dbraw/zinc/30/57/82/184305782.db2.gz ROWUKDJGOUFQHD-GFCCVEGCSA-N 0 0 318.439 0.719 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NCCc1nc(C)no1 ZINC000066354225 184404778 /nfs/dbraw/zinc/40/47/78/184404778.db2.gz ZTZZBSSKIZSXLN-SNVBAGLBSA-N 0 0 312.395 0.738 10 0 DCAERN COc1cc(N2CCN(C(=O)c3ccc(F)cn3)CC2)ncn1 ZINC000183833530 532955499 /nfs/dbraw/zinc/95/54/99/532955499.db2.gz XVFYHSXFNSXYPE-UHFFFAOYSA-N 0 0 317.324 0.982 10 0 DCAERN COCCc1cc(NC(=O)NCCNC(=O)C(C)C)n(C)n1 ZINC000178205898 252606519 /nfs/dbraw/zinc/60/65/19/252606519.db2.gz RLCUKRMEUKHOTO-UHFFFAOYSA-N 0 0 311.386 0.503 10 0 DCAERN C[C@H](O)C(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333218892 252694776 /nfs/dbraw/zinc/69/47/76/252694776.db2.gz WCJSHNLNGMIFRP-QNWHQSFQSA-N 0 0 316.423 0.030 10 0 DCAERN CCCN1C[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)CC1=O ZINC000333512401 252732036 /nfs/dbraw/zinc/73/20/36/252732036.db2.gz JGJYHMUXJCXCPF-WOPDTQHZSA-N 0 0 304.412 0.342 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1=O ZINC000333350802 252710292 /nfs/dbraw/zinc/71/02/92/252710292.db2.gz FGQBJAYWTXBLRP-WQGACYEGSA-N 0 0 323.393 0.470 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@H]2CCC[C@H]2O)cn1 ZINC000333422192 252721101 /nfs/dbraw/zinc/72/11/01/252721101.db2.gz RZMLFMXIERLHDB-ZRJCITRHSA-N 0 0 308.382 0.710 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)C[C@H]1C ZINC000408074712 285045113 /nfs/dbraw/zinc/04/51/13/285045113.db2.gz VKYYOHDMMWAYIV-HIFRSBDPSA-N 0 0 311.426 0.567 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc4n[nH]cc4c3)CC[C@@H]21 ZINC000286268051 218882614 /nfs/dbraw/zinc/88/26/14/218882614.db2.gz LRWAOTFPOOTFFZ-KGLIPLIRSA-N 0 0 313.361 0.730 10 0 DCAERN CC(=O)c1ccc(NC(=O)NCC(=O)NCCO)cc1Cl ZINC000341103903 253344010 /nfs/dbraw/zinc/34/40/10/253344010.db2.gz VYNBKPJIZHVSIE-UHFFFAOYSA-N 0 0 313.741 0.773 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507265 219026453 /nfs/dbraw/zinc/02/64/53/219026453.db2.gz AFNAALJXODSOOF-RCOVLWMOSA-N 0 0 321.761 0.820 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](OC)C[C@H]2CO)c(F)c1 ZINC000343746779 253695306 /nfs/dbraw/zinc/69/53/06/253695306.db2.gz UJBJCWZIQYOSRQ-VHSXEESVSA-N 0 0 318.370 0.320 10 0 DCAERN O=C1NC[C@H]2CN([C@H]3CCc4ccccc4NC3=O)CCN12 ZINC000248836214 296384895 /nfs/dbraw/zinc/38/48/95/296384895.db2.gz JWYZFNWSFPDPQS-JSGCOSHPSA-N 0 0 300.362 0.649 10 0 DCAERN O=C(CSC[C@H](O)CO)N1CCN(Cc2ccco2)CC1 ZINC000177444320 220454322 /nfs/dbraw/zinc/45/43/22/220454322.db2.gz MNCJRBSZLWPKBI-GFCCVEGCSA-N 0 0 314.407 0.010 10 0 DCAERN CCn1cc(C2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)cn1 ZINC000262275912 220468914 /nfs/dbraw/zinc/46/89/14/220468914.db2.gz NKJIZVVOPACLNP-DOMZBBRYSA-N 0 0 306.410 0.986 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000188314219 296394552 /nfs/dbraw/zinc/39/45/52/296394552.db2.gz VCQONLBAHUPVMZ-YPMHNXCESA-N 0 0 302.396 0.745 10 0 DCAERN O=C(NCCOc1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000360356116 220502932 /nfs/dbraw/zinc/50/29/32/220502932.db2.gz SYJRYYWQTSOJMW-CQSZACIVSA-N 0 0 323.368 0.931 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)C[C@H](C)O1 ZINC000350009837 254308407 /nfs/dbraw/zinc/30/84/07/254308407.db2.gz KLEIVMFJFGZXSM-HRDYMLBCSA-N 0 0 320.333 0.243 10 0 DCAERN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350621129 254319914 /nfs/dbraw/zinc/31/99/14/254319914.db2.gz PZSPOVPZGVANCZ-DTWKUNHWSA-N 0 0 304.343 0.386 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCCC1 ZINC000172069234 533137086 /nfs/dbraw/zinc/13/70/86/533137086.db2.gz PPLIVMHHBVMPBN-PWSUYJOCSA-N 0 0 303.428 0.898 10 0 DCAERN Cn1ccnc1CN1C[C@H](F)C[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC000351632903 254354981 /nfs/dbraw/zinc/35/49/81/254354981.db2.gz KXQMISNJGASUMJ-JHJVBQTASA-N 0 0 310.373 0.628 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1CC(n2ccnn2)C1 ZINC000378550089 220527174 /nfs/dbraw/zinc/52/71/74/220527174.db2.gz NRDMWUYCVLKOLX-UHFFFAOYSA-N 0 0 306.370 0.293 10 0 DCAERN CC(=O)CCCC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000351994858 254388919 /nfs/dbraw/zinc/38/89/19/254388919.db2.gz HSGOKECFMFCQAZ-UHFFFAOYSA-N 0 0 302.440 0.705 10 0 DCAERN CN(C)c1nccc(N2CCO[C@@H]3CN(C(=O)C4CC4)C[C@@H]32)n1 ZINC000248115945 257108587 /nfs/dbraw/zinc/10/85/87/257108587.db2.gz LLBSASRWVGBRTI-QWHCGFSZSA-N 0 0 317.393 0.369 10 0 DCAERN Cc1cccc(C(=O)N2C[C@@H]3CN(c4cncnc4)C(=O)[C@@H]3C2)n1 ZINC000248109728 257109705 /nfs/dbraw/zinc/10/97/05/257109705.db2.gz QIBYPTSKAVZGFW-TZMCWYRMSA-N 0 0 323.356 0.915 10 0 DCAERN CC(C)NC(=O)[C@@H]1CN(c2ncc(F)cn2)Cc2ncn(C)c21 ZINC000248060383 257110657 /nfs/dbraw/zinc/11/06/57/257110657.db2.gz UOCHIGQFTBWMEE-LLVKDONJSA-N 0 0 318.356 0.978 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2O1 ZINC000247881762 257115091 /nfs/dbraw/zinc/11/50/91/257115091.db2.gz QCFRDHBKKPXHJG-OWCLPIDISA-N 0 0 319.405 0.824 10 0 DCAERN O=C(c1ccccn1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000247857320 257115772 /nfs/dbraw/zinc/11/57/72/257115772.db2.gz KKQWBQXPBAUYGS-DGCLKSJQSA-N 0 0 309.329 0.607 10 0 DCAERN CS(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F ZINC000247517509 257118888 /nfs/dbraw/zinc/11/88/88/257118888.db2.gz KILPXHLIFPIXKV-SNVBAGLBSA-N 0 0 316.354 0.650 10 0 DCAERN CNC(=O)C[C@@H]1CN(C(=O)c2cc(C)on2)Cc2ccnn21 ZINC000253479071 257105887 /nfs/dbraw/zinc/10/58/87/257105887.db2.gz ONBGPGZLJFQGSI-LLVKDONJSA-N 0 0 303.322 0.513 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000170791567 533390203 /nfs/dbraw/zinc/39/02/03/533390203.db2.gz MMPLCYLURZJXSR-JTQLQIEISA-N 0 0 315.329 0.948 10 0 DCAERN CS(=O)(=O)NCc1ccc(C(=O)NCc2cscn2)o1 ZINC000176593065 533408254 /nfs/dbraw/zinc/40/82/54/533408254.db2.gz MAHVIJADHXSXQM-UHFFFAOYSA-N 0 0 315.376 0.715 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000277259242 130595621 /nfs/dbraw/zinc/59/56/21/130595621.db2.gz MTAPUNQLDVEBEO-VNHYZAJKSA-N 0 0 313.361 0.882 10 0 DCAERN C[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC(=O)N1C ZINC000283577592 131005473 /nfs/dbraw/zinc/00/54/73/131005473.db2.gz QWMUSUUARZCOEA-QWHCGFSZSA-N 0 0 319.409 0.495 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(=O)[nH]1 ZINC000284530794 131088875 /nfs/dbraw/zinc/08/88/75/131088875.db2.gz PBDZHBSBQMJYCU-QWHCGFSZSA-N 0 0 305.378 0.949 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC000284545802 131091766 /nfs/dbraw/zinc/09/17/66/131091766.db2.gz DHWYSBWACKZOHB-KBPBESRZSA-N 0 0 303.362 0.331 10 0 DCAERN COc1cc(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)ccc1F ZINC000284572545 131093306 /nfs/dbraw/zinc/09/33/06/131093306.db2.gz ICBHWCLPBMKSBB-CQSZACIVSA-N 0 0 306.297 0.686 10 0 DCAERN COc1cccc(CCNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)c1 ZINC000284600912 131095886 /nfs/dbraw/zinc/09/58/86/131095886.db2.gz BPTBRVMIRNZDAQ-QGZVFWFLSA-N 0 0 320.389 0.727 10 0 DCAERN C[C@@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)C[C@H]1C(N)=O ZINC000284720748 131106520 /nfs/dbraw/zinc/10/65/20/131106520.db2.gz UXDWSXWRQNZQTK-NXEZZACHSA-N 0 0 302.382 0.979 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2cc(F)cc(F)c2)[C@@H]1C(N)=O ZINC000284741136 131108609 /nfs/dbraw/zinc/10/86/09/131108609.db2.gz NCJRADUXJYQPJR-HQJQHLMTSA-N 0 0 320.317 0.228 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@H]1C(N)=O ZINC000284781717 131111115 /nfs/dbraw/zinc/11/11/15/131111115.db2.gz QLUSQTZOZQJFHF-RNFRBKRXSA-N 0 0 322.308 0.846 10 0 DCAERN O=C(CN1CC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812308 131113194 /nfs/dbraw/zinc/11/31/94/131113194.db2.gz NMFNYJTVBWAVBE-MRXNPFEDSA-N 0 0 313.361 0.287 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccncc2C(F)(F)F)C1 ZINC000285567343 131181591 /nfs/dbraw/zinc/18/15/91/131181591.db2.gz PPJGPUWETIRINB-LBPRGKRZSA-N 0 0 317.267 0.553 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)c2n1 ZINC000285698292 131194037 /nfs/dbraw/zinc/19/40/37/131194037.db2.gz IPTJUDAFXNMFOG-UONOGXRCSA-N 0 0 315.377 0.583 10 0 DCAERN O=C(CC(=O)N1CC(F)(F)C[C@H]1CO)NCC(F)(F)F ZINC000366678328 131497255 /nfs/dbraw/zinc/49/72/55/131497255.db2.gz LMLOXICGMSWZQO-LURJTMIESA-N 0 0 304.215 0.284 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](n3cccn3)C2)N(C(C)=O)C1 ZINC000291381690 131565703 /nfs/dbraw/zinc/56/57/03/131565703.db2.gz ZLTFCDKBVLMNLC-MELADBBJSA-N 0 0 306.366 0.292 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333182780 285524974 /nfs/dbraw/zinc/52/49/74/285524974.db2.gz QCLIKYXYHLZCSA-MROQNXINSA-N 0 0 315.439 0.898 10 0 DCAERN CC1(C)O[C@@H]2O[C@H]([C@H](O)CO)[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000008700291 395684918 /nfs/dbraw/zinc/68/49/18/395684918.db2.gz CIFFIYJOTIJKSX-ZSAUSMIDSA-N 0 0 310.346 0.801 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@H](O)COCc3ccccc3)[C@@H](O)[C@H]2O1 ZINC000001107826 395680604 /nfs/dbraw/zinc/68/06/04/395680604.db2.gz JXTWYFIXSGTWRN-KJWHEZOQSA-N 0 0 310.346 0.801 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@H]2CCCO2)cs1 ZINC000088379440 395707399 /nfs/dbraw/zinc/70/73/99/395707399.db2.gz DZQYRMQGVGPGQM-SECBINFHSA-N 0 0 304.393 0.694 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000032029854 395708789 /nfs/dbraw/zinc/70/87/89/395708789.db2.gz LJRXZAYLDMPIDH-GHMZBOCLSA-N 0 0 303.366 0.825 10 0 DCAERN Cc1ccc(C(C)C)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1 ZINC000034256155 395718253 /nfs/dbraw/zinc/71/82/53/395718253.db2.gz GKQGIQVSMCHAFX-UYJHQMFVSA-N 0 0 312.362 0.297 10 0 DCAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000035177081 395719482 /nfs/dbraw/zinc/71/94/82/395719482.db2.gz ABFWKTQLDXUCQT-SRVKXCTJSA-N 0 0 322.427 0.518 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1CCCS1)C(=O)N1CCOCC1 ZINC000084216124 395696855 /nfs/dbraw/zinc/69/68/55/395696855.db2.gz RNALQXMDIDYLJF-RYUDHWBXSA-N 0 0 300.424 0.882 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000041824502 395739502 /nfs/dbraw/zinc/73/95/02/395739502.db2.gz QDVVZRIMNRJPOD-JTQLQIEISA-N 0 0 310.379 0.551 10 0 DCAERN COCCN1C[C@H]2CN(Cc3cccc(OC)n3)CCN2C1=O ZINC000096297115 395752478 /nfs/dbraw/zinc/75/24/78/395752478.db2.gz ZYZNXWXTPPROHA-CQSZACIVSA-N 0 0 320.393 0.658 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000046941770 395783130 /nfs/dbraw/zinc/78/31/30/395783130.db2.gz LMTZEOLCSCAXSV-ZDUSSCGKSA-N 0 0 319.409 0.868 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000193945592 395783350 /nfs/dbraw/zinc/78/33/50/395783350.db2.gz PUKXRCMXTFCRLL-WQAKAFBOSA-N 0 0 312.391 0.041 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000194026893 395786272 /nfs/dbraw/zinc/78/62/72/395786272.db2.gz RFDIQLSSMMLKQE-IJLUTSLNSA-N 0 0 304.412 0.294 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000108257853 395786924 /nfs/dbraw/zinc/78/69/24/395786924.db2.gz DNSUGJFAQQFMRH-TUAOUCFPSA-N 0 0 304.412 0.704 10 0 DCAERN COc1ccc(OC)c(CN(C(=O)Cn2cnnn2)C2CC2)c1 ZINC000045522847 395763368 /nfs/dbraw/zinc/76/33/68/395763368.db2.gz TXKCHDXBWYMHBN-UHFFFAOYSA-N 0 0 317.349 0.882 10 0 DCAERN O=C(NCCCN1CCCCCC1=O)[C@@H]1CCCCC(=O)N1 ZINC000193713164 395777279 /nfs/dbraw/zinc/77/72/79/395777279.db2.gz DLVIURVQKYDADN-ZDUSSCGKSA-N 0 0 309.410 0.954 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@@]23CCOC3)C1 ZINC000193718719 395777502 /nfs/dbraw/zinc/77/75/02/395777502.db2.gz BTYVOKLFKROPFT-KGLIPLIRSA-N 0 0 318.439 0.149 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000194629058 395802761 /nfs/dbraw/zinc/80/27/61/395802761.db2.gz QUHHTRICFOVLMA-OAHLLOKOSA-N 0 0 317.389 0.874 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000194750025 395806478 /nfs/dbraw/zinc/80/64/78/395806478.db2.gz NCIDSUBLBARGIH-ZDUSSCGKSA-N 0 0 309.341 0.002 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NC[C@H]2CN(C)CCO2)cc1C ZINC000194749984 395806760 /nfs/dbraw/zinc/80/67/60/395806760.db2.gz XLXIODNYYVXYES-HNNXBMFYSA-N 0 0 319.405 0.480 10 0 DCAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 ZINC000194876374 395810331 /nfs/dbraw/zinc/81/03/31/395810331.db2.gz GYKVTMXPRDTHKM-LBPRGKRZSA-N 0 0 301.346 0.666 10 0 DCAERN O=C(NCCc1ccccn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111787817 395813636 /nfs/dbraw/zinc/81/36/36/395813636.db2.gz XTUZGLILHJBXNH-OAHLLOKOSA-N 0 0 315.377 0.931 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000112391110 395817275 /nfs/dbraw/zinc/81/72/75/395817275.db2.gz SFVWMXXQJXJMOD-DZGCQCFKSA-N 0 0 307.394 0.658 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)NCC2(C)COC2)cc1 ZINC000112728430 395823305 /nfs/dbraw/zinc/82/33/05/395823305.db2.gz OZCBYTDCPQETPL-UHFFFAOYSA-N 0 0 306.362 0.968 10 0 DCAERN CC1(CNC(=O)N2CCN(Cc3ccncc3)CC2)COC1 ZINC000112753198 395824043 /nfs/dbraw/zinc/82/40/43/395824043.db2.gz QUNTWKLAAXGBPW-UHFFFAOYSA-N 0 0 304.394 0.945 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195392125 395826180 /nfs/dbraw/zinc/82/61/80/395826180.db2.gz FSCMNQUJYDEQDP-JTQLQIEISA-N 0 0 312.395 0.671 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000113133624 395826917 /nfs/dbraw/zinc/82/69/17/395826917.db2.gz WCLVAAGMBMOUKX-SNVBAGLBSA-N 0 0 310.379 0.591 10 0 DCAERN O=S(=O)(CCc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000113298526 395829431 /nfs/dbraw/zinc/82/94/31/395829431.db2.gz YXDWQXDVMZYZLU-ZDUSSCGKSA-N 0 0 306.391 0.755 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000195492612 395829791 /nfs/dbraw/zinc/82/97/91/395829791.db2.gz YSPYHOQYPPQKHW-STQMWFEESA-N 0 0 309.410 0.620 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000195490510 395830064 /nfs/dbraw/zinc/83/00/64/395830064.db2.gz TWMVAGMDEAFOMW-GWCFXTLKSA-N 0 0 310.423 0.865 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000114841721 395836949 /nfs/dbraw/zinc/83/69/49/395836949.db2.gz MWVCXPOHALVHRA-SNVBAGLBSA-N 0 0 303.322 0.093 10 0 DCAERN C[C@@H](O)CCNC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000114828728 395836970 /nfs/dbraw/zinc/83/69/70/395836970.db2.gz UDZMIDFFBLSYSI-GFCCVEGCSA-N 0 0 308.382 0.153 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CCO1 ZINC000050859110 395843130 /nfs/dbraw/zinc/84/31/30/395843130.db2.gz KNJGJRFYIXHABI-KWEXDPCDSA-N 0 0 318.329 0.184 10 0 DCAERN COC(=O)CCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000116395506 395843894 /nfs/dbraw/zinc/84/38/94/395843894.db2.gz XELGETBPMXMWSL-UHFFFAOYSA-N 0 0 304.354 0.200 10 0 DCAERN CS[C@H](CO)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000219232376 395844662 /nfs/dbraw/zinc/84/46/62/395844662.db2.gz NKKHKJQLMZQEHL-WCBMZHEXSA-N 0 0 300.405 0.838 10 0 DCAERN CO[C@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116831202 395847012 /nfs/dbraw/zinc/84/70/12/395847012.db2.gz SGOKTYCNPZRSNE-OLZOCXBDSA-N 0 0 312.391 0.524 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000116832209 395847035 /nfs/dbraw/zinc/84/70/35/395847035.db2.gz NKIFQHNOPVPPHS-SECBINFHSA-N 0 0 304.318 0.729 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)C[C@@H](C)O1 ZINC000220716870 395849605 /nfs/dbraw/zinc/84/96/05/395849605.db2.gz XVPACIOMYHLLOQ-YRGRVCCFSA-N 0 0 314.407 0.664 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1CNC(=O)C1 ZINC000117984376 395857303 /nfs/dbraw/zinc/85/73/03/395857303.db2.gz FOVMAWARMQFORN-JTQLQIEISA-N 0 0 308.407 0.538 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1Cc1noc2c1CCCC2 ZINC000108850985 395793660 /nfs/dbraw/zinc/79/36/60/395793660.db2.gz DDRUELRFDCEBGB-GFCCVEGCSA-N 0 0 307.350 0.417 10 0 DCAERN CC(=O)c1ccc(N2CCN(CCC(=O)N(C)C)CC2)nc1 ZINC000271323768 395857934 /nfs/dbraw/zinc/85/79/34/395857934.db2.gz KREGVZHFSQCJTK-UHFFFAOYSA-N 0 0 304.394 0.885 10 0 DCAERN Cc1nn(CC(=O)NC[C@@H]2CN(C)CCO2)c(C)c1Cl ZINC000194603499 395800451 /nfs/dbraw/zinc/80/04/51/395800451.db2.gz HXTSZSPDGYIFKH-LLVKDONJSA-N 0 0 300.790 0.600 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000194615590 395801644 /nfs/dbraw/zinc/80/16/44/395801644.db2.gz CJIMGCZDBSLQDU-LAJNKCICSA-N 0 0 310.419 0.875 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000194613758 395801815 /nfs/dbraw/zinc/80/18/15/395801815.db2.gz MLOBEWWDEPDFLO-OAHLLOKOSA-N 0 0 319.405 0.182 10 0 DCAERN CCCn1c(=O)[nH]nc1SC[C@@H](O)CO[C@@H](C)COC ZINC000233378972 395887012 /nfs/dbraw/zinc/88/70/12/395887012.db2.gz GUYAKQAZVBRZSL-UWVGGRQHSA-N 0 0 305.400 0.486 10 0 DCAERN COC(=O)c1nc(NCCCNS(C)(=O)=O)sc1C ZINC000234602164 395889442 /nfs/dbraw/zinc/88/94/42/395889442.db2.gz QIWILRIJXHKDOY-UHFFFAOYSA-N 0 0 307.397 0.589 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N2CCc3ccccc32)C[C@@H](C)O1 ZINC000123383101 395893294 /nfs/dbraw/zinc/89/32/94/395893294.db2.gz KUPOXWNCEWRGQK-DOMZBBRYSA-N 0 0 318.373 0.838 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123440466 395894318 /nfs/dbraw/zinc/89/43/18/395894318.db2.gz OTBSIXMTTXFBGO-LOWDOPEQSA-N 0 0 300.399 0.942 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2cccn2)CCS1(=O)=O ZINC000123668166 395896243 /nfs/dbraw/zinc/89/62/43/395896243.db2.gz PKIVTCWSTBIIGO-NSHDSACASA-N 0 0 300.384 0.102 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000054452056 395900041 /nfs/dbraw/zinc/90/00/41/395900041.db2.gz LLFMYUDCKMNRRL-ZIAGYGMSSA-N 0 0 316.357 0.847 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@@H](c2ccsc2)C1 ZINC000125479792 395903081 /nfs/dbraw/zinc/90/30/81/395903081.db2.gz OKZYUGYMCWXBCX-GFCCVEGCSA-N 0 0 312.391 0.801 10 0 DCAERN Cc1cnn(CCNC(=O)NCCS(=O)(=O)C(C)(C)C)c1 ZINC000125766300 395905727 /nfs/dbraw/zinc/90/57/27/395905727.db2.gz HEGJYXHFOIFXOV-UHFFFAOYSA-N 0 0 316.427 0.704 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H]1COCCN1 ZINC000237224582 395907990 /nfs/dbraw/zinc/90/79/90/395907990.db2.gz YOQOCJYGEYZSTB-HUUCEWRRSA-N 0 0 308.378 0.011 10 0 DCAERN O=C1NC[C@H]2CN([C@@H]3CCCc4ccc(F)cc43)CCN2C1=O ZINC000245517296 395930465 /nfs/dbraw/zinc/93/04/65/395930465.db2.gz RHTLTKNDGURHQQ-DZGCQCFKSA-N 0 0 317.364 0.846 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2ccsc2)C1 ZINC000126409853 395912505 /nfs/dbraw/zinc/91/25/05/395912505.db2.gz QILITTBNYWIXFK-JQWIXIFHSA-N 0 0 312.391 0.799 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccccn2)C[C@@H](C)O1 ZINC000055275510 395915698 /nfs/dbraw/zinc/91/56/98/395915698.db2.gz VMUNZUWOOLGEOT-CHWSQXEVSA-N 0 0 313.423 0.910 10 0 DCAERN CCS(=O)(=O)CCN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000118397944 395862019 /nfs/dbraw/zinc/86/20/19/395862019.db2.gz NNJWKGUGFYCLIQ-ZDUSSCGKSA-N 0 0 312.439 0.812 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)cc1 ZINC000052568786 395866052 /nfs/dbraw/zinc/86/60/52/395866052.db2.gz NFDGHCSNXLZHOC-UHFFFAOYSA-N 0 0 315.329 0.959 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H](C)c1ncc(C)o1 ZINC000226555492 395866753 /nfs/dbraw/zinc/86/67/53/395866753.db2.gz GPKZEFRTTHWXPR-SECBINFHSA-N 0 0 305.356 0.373 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000245539582 395931318 /nfs/dbraw/zinc/93/13/18/395931318.db2.gz JSRMRCOVJFNXDV-NSHDSACASA-N 0 0 314.363 0.535 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000119056219 395867320 /nfs/dbraw/zinc/86/73/20/395867320.db2.gz BDCFBAMWRQQCGR-NSHDSACASA-N 0 0 318.255 0.712 10 0 DCAERN Cc1cnc(CCN(C)C(=O)NCCN2C(=O)CCC2=O)s1 ZINC000119471324 395871624 /nfs/dbraw/zinc/87/16/24/395871624.db2.gz VZFRUKRTKLFYPS-UHFFFAOYSA-N 0 0 324.406 0.784 10 0 DCAERN CCOC(=O)C[C@@H](O)Cn1c(=O)sc2ccccc2c1=O ZINC000228516191 395872173 /nfs/dbraw/zinc/87/21/73/395872173.db2.gz ISPTWHCUQGNRSD-SECBINFHSA-N 0 0 309.343 0.737 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1O ZINC000272242896 395879113 /nfs/dbraw/zinc/87/91/13/395879113.db2.gz NPMGCIPXKFGJPQ-QWRGUYRKSA-N 0 0 309.366 0.204 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000120496923 395881953 /nfs/dbraw/zinc/88/19/53/395881953.db2.gz PFXHRYONPQKVSG-JTQLQIEISA-N 0 0 321.343 0.998 10 0 DCAERN O[C@H](CNc1nnc(-c2ccccn2)s1)CN1CCOCC1 ZINC000273549829 395928762 /nfs/dbraw/zinc/92/87/62/395928762.db2.gz AESABQMFPXWTHO-LLVKDONJSA-N 0 0 321.406 0.705 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CSc1nnnn1C1CC1 ZINC000053635822 395886828 /nfs/dbraw/zinc/88/68/28/395886828.db2.gz HOXOIHKODZFXOX-RKDXNWHRSA-N 0 0 324.410 0.213 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC000134492372 395932355 /nfs/dbraw/zinc/93/23/55/395932355.db2.gz FDYILWCSKUBZCA-JOYOIKCWSA-N 0 0 304.350 0.482 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000245673198 395934193 /nfs/dbraw/zinc/93/41/93/395934193.db2.gz FILZPAYVIJAKPA-STQMWFEESA-N 0 0 320.393 0.242 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000273625969 395934663 /nfs/dbraw/zinc/93/46/63/395934663.db2.gz RRKPTPJHWVBIRX-ZYHUDNBSSA-N 0 0 307.350 0.171 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000245715248 395935391 /nfs/dbraw/zinc/93/53/91/395935391.db2.gz GKWAPBGJQWXIQZ-XUJVJEKNSA-N 0 0 318.373 0.603 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248838554 395998724 /nfs/dbraw/zinc/99/87/24/395998724.db2.gz FBDUFMTUJVQANE-RBSFLKMASA-N 0 0 324.421 0.756 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000135324745 395939745 /nfs/dbraw/zinc/93/97/45/395939745.db2.gz XBYFIZCWKMXGID-GWCFXTLKSA-N 0 0 324.402 0.916 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000246037539 395940333 /nfs/dbraw/zinc/94/03/33/395940333.db2.gz RCFKTQJKAMKWSB-LLVKDONJSA-N 0 0 320.436 0.944 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000135605313 395940915 /nfs/dbraw/zinc/94/09/15/395940915.db2.gz XCZAJQFGMBLBTA-IACUBPJLSA-N 0 0 324.402 0.889 10 0 DCAERN C[C@@H](NC(=O)CN1c2ccccc2O[C@@H](C)C1=O)[C@H](C)CO ZINC000246193268 395943347 /nfs/dbraw/zinc/94/33/47/395943347.db2.gz IXBYSMODAJRLDO-UTUOFQBUSA-N 0 0 306.362 0.934 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000246296482 395946507 /nfs/dbraw/zinc/94/65/07/395946507.db2.gz XAOVHUIMTPMZLN-WOPDTQHZSA-N 0 0 310.398 0.341 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000136544274 395947813 /nfs/dbraw/zinc/94/78/13/395947813.db2.gz DWBMOSWPQWRNAK-GXTWGEPZSA-N 0 0 320.393 0.265 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1N1CCOCC1 ZINC000246405986 395949210 /nfs/dbraw/zinc/94/92/10/395949210.db2.gz DRKKBNTUCUSAGX-TZMCWYRMSA-N 0 0 311.407 0.423 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000246633828 395955473 /nfs/dbraw/zinc/95/54/73/395955473.db2.gz DAUGYLKPUUMISZ-NXEZZACHSA-N 0 0 306.409 0.881 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)CO ZINC000246865094 395959374 /nfs/dbraw/zinc/95/93/74/395959374.db2.gz UKLLUAFDWXETCX-GRYCIOLGSA-N 0 0 306.428 0.324 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000248941571 396000176 /nfs/dbraw/zinc/00/01/76/396000176.db2.gz YVKAEJPUKANPNX-ZMJPVWNMSA-N 0 0 318.439 0.888 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246959284 395961707 /nfs/dbraw/zinc/96/17/07/395961707.db2.gz SNGHKMKCBGGRIV-BFHYXJOUSA-N 0 0 300.399 0.407 10 0 DCAERN C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000147236050 395966579 /nfs/dbraw/zinc/96/65/79/395966579.db2.gz QURSGHQPKUXLAD-YTYCZEAOSA-N 0 0 319.697 0.455 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247172378 395968031 /nfs/dbraw/zinc/96/80/31/395968031.db2.gz NAIDFQZMFYSDDI-UONOGXRCSA-N 0 0 301.431 0.180 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000247251365 395970866 /nfs/dbraw/zinc/97/08/66/395970866.db2.gz UANCKKPPBGAUCC-VHSXEESVSA-N 0 0 305.304 0.982 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3C[C@H]3C)C2=O)n(C)n1 ZINC000247502904 395975327 /nfs/dbraw/zinc/97/53/27/395975327.db2.gz XPXFGPRXTLBKOO-ADEWGFFLSA-N 0 0 305.382 0.932 10 0 DCAERN CCCCCCNC(=O)CN1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000247560344 395976834 /nfs/dbraw/zinc/97/68/34/395976834.db2.gz UQLFXFRHWOYBBH-STQMWFEESA-N 0 0 300.399 0.945 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCC(c3nncn3C)CC2)C1 ZINC000151101250 395978490 /nfs/dbraw/zinc/97/84/90/395978490.db2.gz BAGDSDHYZRUJSB-ZDUSSCGKSA-N 0 0 319.409 0.780 10 0 DCAERN Cc1noc(NC(=O)Cn2c(=O)onc2-c2ccccc2)n1 ZINC000064368546 395986513 /nfs/dbraw/zinc/98/65/13/395986513.db2.gz GINCDAFTMSWILE-UHFFFAOYSA-N 0 0 301.262 0.833 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151503009 395986872 /nfs/dbraw/zinc/98/68/72/395986872.db2.gz KILUKIXMPFGJIL-GXTWGEPZSA-N 0 0 303.424 0.965 10 0 DCAERN COc1ccc(Br)cc1CNC(=O)CNC(N)=O ZINC000064664086 395988625 /nfs/dbraw/zinc/98/86/25/395988625.db2.gz WOFHBHIWHKVUEG-UHFFFAOYSA-N 0 0 316.155 0.742 10 0 DCAERN COCC(=O)N1CC[C@@]2(C1)c1cc(OC)ccc1N(C)C2=O ZINC000065249332 395991645 /nfs/dbraw/zinc/99/16/45/395991645.db2.gz OMHINEDUSSCNCB-MRXNPFEDSA-N 0 0 304.346 0.788 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067201707 396022629 /nfs/dbraw/zinc/02/26/29/396022629.db2.gz LLXDXGKNYQVMRN-AWEZNQCLSA-N 0 0 319.405 0.717 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H](C)CO)C1 ZINC000252698826 396024179 /nfs/dbraw/zinc/02/41/79/396024179.db2.gz PJQLGSCCWWNQAG-GRYCIOLGSA-N 0 0 322.427 0.113 10 0 DCAERN O=C1CCCN1c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 ZINC000153667762 396024596 /nfs/dbraw/zinc/02/45/96/396024596.db2.gz YNGNJPTWFVJYHB-HNNXBMFYSA-N 0 0 320.389 0.885 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(F)cc1Cl ZINC000154118311 396031552 /nfs/dbraw/zinc/03/15/52/396031552.db2.gz PGSRANHHEKFBDX-LLVKDONJSA-N 0 0 316.760 0.902 10 0 DCAERN O=C(COc1ccccc1F)NC[C@@H](O)CN1CCOCC1 ZINC000154125851 396032410 /nfs/dbraw/zinc/03/24/10/396032410.db2.gz QJMMEIUFLYQSKI-GFCCVEGCSA-N 0 0 312.341 0.014 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000255354681 396032962 /nfs/dbraw/zinc/03/29/62/396032962.db2.gz ORZHRIKLQGQWRB-BMWLXYDHSA-N 0 0 316.405 0.901 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOCCOC ZINC000154180368 396033868 /nfs/dbraw/zinc/03/38/68/396033868.db2.gz VITSVGSWFHIVDI-LLVKDONJSA-N 0 0 311.386 0.638 10 0 DCAERN O=C(c1ccncc1)N1CCOCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257182046 396034250 /nfs/dbraw/zinc/03/42/50/396034250.db2.gz GDAXFBLMWJQZFL-KGLIPLIRSA-N 0 0 303.362 0.839 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067879578 396038308 /nfs/dbraw/zinc/03/83/08/396038308.db2.gz FUDIOKZAZXLHPQ-DTORHVGOSA-N 0 0 303.384 0.735 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CN(C)C(=O)c1cccs1 ZINC000068097700 396046146 /nfs/dbraw/zinc/04/61/46/396046146.db2.gz KQKGHZROSQSBCZ-MNOVXSKESA-N 0 0 323.418 0.933 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCCCC1=O ZINC000155377154 396050202 /nfs/dbraw/zinc/05/02/02/396050202.db2.gz KCBIWWZUQCVOSX-LLVKDONJSA-N 0 0 321.381 0.388 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CCNC(=O)C2(C)C)cc1 ZINC000277126446 396050804 /nfs/dbraw/zinc/05/08/04/396050804.db2.gz XXYBIPFNHKCHJL-UHFFFAOYSA-N 0 0 311.407 0.652 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC(=O)NC1CC1)CC2 ZINC000155541717 396053099 /nfs/dbraw/zinc/05/30/99/396053099.db2.gz QAPRMBVRIAHMLN-NSHDSACASA-N 0 0 320.397 0.294 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)c1nccnc1N ZINC000261675947 396055444 /nfs/dbraw/zinc/05/54/44/396055444.db2.gz BPOGAYAQZABKHF-GFCCVEGCSA-N 0 0 313.361 0.854 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3([NH3+])CCOCC3)CCO2)n1 ZINC000261683534 396056093 /nfs/dbraw/zinc/05/60/93/396056093.db2.gz CRPAAEWIFDKGST-CQSZACIVSA-N 0 0 322.409 0.235 10 0 DCAERN [NH3+][C@@H](C(=O)NCCC(=O)Nc1cccnc1)C1CCOCC1 ZINC000261682871 396056280 /nfs/dbraw/zinc/05/62/80/396056280.db2.gz HCRXRUZZQYUWAV-CQSZACIVSA-N 0 0 306.366 0.280 10 0 DCAERN CNC(=O)NC(=O)CN1CCN(c2ncccc2Cl)CC1 ZINC000155945440 396059850 /nfs/dbraw/zinc/05/98/50/396059850.db2.gz IGYXDTPSYKRKQJ-UHFFFAOYSA-N 0 0 311.773 0.313 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000152212267 396003633 /nfs/dbraw/zinc/00/36/33/396003633.db2.gz HGHSWTLMNWUVLZ-LBPRGKRZSA-N 0 0 302.330 0.879 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C1=NNC(=O)CC1 ZINC000152241597 396003829 /nfs/dbraw/zinc/00/38/29/396003829.db2.gz CTHSHUOQDWDVML-SECBINFHSA-N 0 0 304.354 0.619 10 0 DCAERN CCN1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000249268761 396004127 /nfs/dbraw/zinc/00/41/27/396004127.db2.gz IUZJIXHPAACRNL-CABCVRRESA-N 0 0 323.437 0.711 10 0 DCAERN COC(=O)CCCCNC(=O)NCc1cccc(C(N)=O)c1 ZINC000069123128 396070101 /nfs/dbraw/zinc/07/01/01/396070101.db2.gz FNCICPFOIUHSQQ-UHFFFAOYSA-N 0 0 307.350 0.928 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1CCO ZINC000250110606 396013626 /nfs/dbraw/zinc/01/36/26/396013626.db2.gz SUCXXLISESWGTH-KBPBESRZSA-N 0 0 323.437 0.303 10 0 DCAERN CN(C)C(=O)NCCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000152640851 396014431 /nfs/dbraw/zinc/01/44/31/396014431.db2.gz AUWYGFTVUQCDDT-SNVBAGLBSA-N 0 0 311.411 0.499 10 0 DCAERN CCc1cc(=O)n2nc(N(C)CC(C)(CO)CO)sc2n1 ZINC000152808114 396015837 /nfs/dbraw/zinc/01/58/37/396015837.db2.gz ZZBZEYAUHYXTFT-UHFFFAOYSA-N 0 0 312.395 0.141 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(Nc2nccn3cnnc23)CC1 ZINC000277781640 396086867 /nfs/dbraw/zinc/08/68/67/396086867.db2.gz FLJKCHMYZHXXPS-UHFFFAOYSA-N 0 0 324.410 0.739 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@]3(O)CCSC3)C2)n(C)n1 ZINC000277848088 396090724 /nfs/dbraw/zinc/09/07/24/396090724.db2.gz CJGPSWUHTWOIRU-DOMZBBRYSA-N 0 0 324.450 0.682 10 0 DCAERN CNC(=O)N1CCC([C@H]2CCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC000169781730 396091713 /nfs/dbraw/zinc/09/17/13/396091713.db2.gz LWBRQMZAKQWIDQ-ZDUSSCGKSA-N 0 0 319.409 0.934 10 0 DCAERN CC(C)c1nnc2n1CCN([C@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000069948576 396095623 /nfs/dbraw/zinc/09/56/23/396095623.db2.gz MXSHAISNGXZRSL-OLZOCXBDSA-N 0 0 321.425 0.901 10 0 DCAERN CC[C@H](O)CN(CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000170715519 396096727 /nfs/dbraw/zinc/09/67/27/396096727.db2.gz LHJCFYGRNINSRO-ZFWWWQNUSA-N 0 0 321.421 0.857 10 0 DCAERN OCc1ccc(-n2cc(I)cn2)nn1 ZINC000070678295 396103423 /nfs/dbraw/zinc/10/34/23/396103423.db2.gz RMPDHXOOBTWATA-UHFFFAOYSA-N 0 0 302.075 0.759 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)no1 ZINC000171241871 396111975 /nfs/dbraw/zinc/11/19/75/396111975.db2.gz LYIVNHWLDUCLNU-LBPRGKRZSA-N 0 0 306.366 0.782 10 0 DCAERN CSc1ncc(Cl)c(C(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000171288502 396112759 /nfs/dbraw/zinc/11/27/59/396112759.db2.gz AMSLVJGGSGPELB-MRVPVSSYSA-N 0 0 316.814 0.912 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000171598517 396119965 /nfs/dbraw/zinc/11/99/65/396119965.db2.gz RHPMZKFCZSGSBP-QWHCGFSZSA-N 0 0 305.382 0.924 10 0 DCAERN CCOCCN(CC)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000171641430 396121551 /nfs/dbraw/zinc/12/15/51/396121551.db2.gz NDTWDMYAJKETBE-UHFFFAOYSA-N 0 0 300.380 0.833 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000171654125 396121682 /nfs/dbraw/zinc/12/16/82/396121682.db2.gz IXCAOZXSTBQCOT-LLVKDONJSA-N 0 0 324.406 0.449 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCn3c(nnc3C3CC3)C2)C1=O ZINC000071880277 396123028 /nfs/dbraw/zinc/12/30/28/396123028.db2.gz RSEONEVQGDEPCG-UHFFFAOYSA-N 0 0 318.381 0.302 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172137636 396128643 /nfs/dbraw/zinc/12/86/43/396128643.db2.gz KNYIPZPTVQMWAN-FKJOKYEKSA-N 0 0 318.439 0.612 10 0 DCAERN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cnccn1)N1CCCC1 ZINC000072533920 396131793 /nfs/dbraw/zinc/13/17/93/396131793.db2.gz QZXNLYSEWOOXOR-ZDUSSCGKSA-N 0 0 318.377 0.720 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000172769526 396132951 /nfs/dbraw/zinc/13/29/51/396132951.db2.gz RJESQLUFOBHBJT-UHFFFAOYSA-N 0 0 319.365 0.922 10 0 DCAERN Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)o1 ZINC000277562244 396074196 /nfs/dbraw/zinc/07/41/96/396074196.db2.gz NVSJUSDIUMIIAG-JTQLQIEISA-N 0 0 302.334 0.876 10 0 DCAERN Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)o1 ZINC000277562250 396074269 /nfs/dbraw/zinc/07/42/69/396074269.db2.gz NVSJUSDIUMIIAG-SNVBAGLBSA-N 0 0 302.334 0.876 10 0 DCAERN Nc1ccc(CC(=O)N[C@@H]2CCCN(c3ncccn3)C2)nc1 ZINC000261867800 396074411 /nfs/dbraw/zinc/07/44/11/396074411.db2.gz KYUVASFRXVBLKN-CQSZACIVSA-N 0 0 312.377 0.782 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000277587688 396076635 /nfs/dbraw/zinc/07/66/35/396076635.db2.gz ZIMZJZGVDBNBLS-MELADBBJSA-N 0 0 304.346 0.088 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000162117846 396079041 /nfs/dbraw/zinc/07/90/41/396079041.db2.gz PCPKMRSIFKRTFN-NWDGAFQWSA-N 0 0 321.381 0.272 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000162117977 396079499 /nfs/dbraw/zinc/07/94/99/396079499.db2.gz PCPKMRSIFKRTFN-VXGBXAGGSA-N 0 0 321.381 0.272 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CN(C)C(C)=O ZINC000261929746 396080439 /nfs/dbraw/zinc/08/04/39/396080439.db2.gz JMGGSLPMGFITMB-AWEZNQCLSA-N 0 0 305.378 0.646 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263219410 396206775 /nfs/dbraw/zinc/20/67/75/396206775.db2.gz LPCLWGUMQDYNNG-QWRGUYRKSA-N 0 0 300.309 0.317 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263223658 396206966 /nfs/dbraw/zinc/20/69/66/396206966.db2.gz MKTDUIBEFZOOEE-MXWKQRLJSA-N 0 0 303.353 0.747 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)NCC1(CO)COC1 ZINC000178877979 396212810 /nfs/dbraw/zinc/21/28/10/396212810.db2.gz FIUOAICGSJTPCC-ZDUSSCGKSA-N 0 0 308.378 0.900 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000178751051 396207496 /nfs/dbraw/zinc/20/74/96/396207496.db2.gz DYSRBOBPQDNDNM-UHFFFAOYSA-N 0 0 321.381 0.760 10 0 DCAERN CCC[C@@H](CCO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178825677 396209759 /nfs/dbraw/zinc/20/97/59/396209759.db2.gz XDQISQLEIIRUBU-NSHDSACASA-N 0 0 314.407 0.863 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000176142133 396150817 /nfs/dbraw/zinc/15/08/17/396150817.db2.gz AZYXQZBCXOFEJA-HUUCEWRRSA-N 0 0 321.425 0.696 10 0 DCAERN Cc1csc(=O)n1CCN1CCS(=O)(=O)C(C)(C)C1 ZINC000176341773 396153706 /nfs/dbraw/zinc/15/37/06/396153706.db2.gz VYHUADUNLLWZFZ-UHFFFAOYSA-N 0 0 304.437 0.727 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176803867 396160943 /nfs/dbraw/zinc/16/09/43/396160943.db2.gz VBKKTJOEOKTXCU-NWDGAFQWSA-N 0 0 318.439 0.527 10 0 DCAERN O=C(CC1CCCC1)N1CCCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000262611087 396162128 /nfs/dbraw/zinc/16/21/28/396162128.db2.gz JLTBTZKBVKLLBX-HNNXBMFYSA-N 0 0 323.437 0.616 10 0 DCAERN NC(=O)N1CCCc2ccc(NC(=O)[C@@H]3CNC(=O)C3)cc21 ZINC000279276243 396162610 /nfs/dbraw/zinc/16/26/10/396162610.db2.gz ZUJYVQOFSYIPKN-JTQLQIEISA-N 0 0 302.334 0.593 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc1 ZINC000279335546 396166642 /nfs/dbraw/zinc/16/66/42/396166642.db2.gz UKDFFBAZAVDHDB-NWDGAFQWSA-N 0 0 308.378 0.873 10 0 DCAERN CCc1cc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)ncn1 ZINC000177161889 396167918 /nfs/dbraw/zinc/16/79/18/396167918.db2.gz LFGDIMQXFVTRSZ-NSHDSACASA-N 0 0 317.393 0.260 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000177182833 396168557 /nfs/dbraw/zinc/16/85/57/396168557.db2.gz WUMVLGKAIINYEU-GFCCVEGCSA-N 0 0 314.411 0.074 10 0 DCAERN CCN(CC)C(=O)N1CCN(c2ccc(C(=O)NC)nn2)CC1 ZINC000074740146 396171157 /nfs/dbraw/zinc/17/11/57/396171157.db2.gz RGEXVCHUXFDQDG-UHFFFAOYSA-N 0 0 320.397 0.420 10 0 DCAERN Cn1cc(N2CC[C@H](N3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279531 396171419 /nfs/dbraw/zinc/17/14/19/396171419.db2.gz VPVUCEXULXFXRM-CMPLNLGQSA-N 0 0 318.299 0.525 10 0 DCAERN O=C(CSC[C@H](O)CO)NC[C@H]1CCN(c2ccccc2)C1 ZINC000177420904 396174983 /nfs/dbraw/zinc/17/49/83/396174983.db2.gz TZEKLJWVQBSBHO-UKRRQHHQSA-N 0 0 324.446 0.716 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1C[C@@H](C)O ZINC000177616657 396179456 /nfs/dbraw/zinc/17/94/56/396179456.db2.gz CBURVZSBNNSVSU-OCCSQVGLSA-N 0 0 320.393 0.324 10 0 DCAERN C[C@@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)C[C@@H](O)CO ZINC000177687377 396181193 /nfs/dbraw/zinc/18/11/93/396181193.db2.gz GVZDTIIAZDLCGH-JQWIXIFHSA-N 0 0 311.363 0.096 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)[C@H]2C)cc1C ZINC000075640489 396184056 /nfs/dbraw/zinc/18/40/56/396184056.db2.gz HDRSXEQTDYIIIF-GFCCVEGCSA-N 0 0 303.362 0.380 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000075657169 396184297 /nfs/dbraw/zinc/18/42/97/396184297.db2.gz NGEZYOXBXDQWJF-NWDGAFQWSA-N 0 0 303.428 0.658 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cnccc2C)CC1 ZINC000177911453 396185345 /nfs/dbraw/zinc/18/53/45/396185345.db2.gz SKBDVFOHFFMUBK-CYBMUJFWSA-N 0 0 320.393 0.244 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)CNC(=O)c2ccccn2)[nH]n1 ZINC000178179323 396191010 /nfs/dbraw/zinc/19/10/10/396191010.db2.gz VKWOGQQHJFECJF-JTQLQIEISA-N 0 0 301.350 0.590 10 0 DCAERN CC(C)(C)n1cc(CN2CCN([C@H]3CCNC3=O)CC2)cn1 ZINC000178199672 396191195 /nfs/dbraw/zinc/19/11/95/396191195.db2.gz ZZTVDNQNAPIMLH-AWEZNQCLSA-N 0 0 305.426 0.644 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NCCc1nc(C)no1 ZINC000076140520 396196518 /nfs/dbraw/zinc/19/65/18/396196518.db2.gz VUPZLVBUAVHFQV-UHFFFAOYSA-N 0 0 303.384 0.642 10 0 DCAERN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263072371 396200696 /nfs/dbraw/zinc/20/06/96/396200696.db2.gz WQLFXYGNAZWVCD-CYBMUJFWSA-N 0 0 323.343 0.968 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)C(=O)N1CCCC[C@H]1C ZINC000263110269 396201997 /nfs/dbraw/zinc/20/19/97/396201997.db2.gz AFBPQKHXLJTLBO-OUAUKWLOSA-N 0 0 303.353 0.889 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](C)Cn3cncn3)c12 ZINC000077825346 396234941 /nfs/dbraw/zinc/23/49/41/396234941.db2.gz BWFFGCOFPNFEDD-JTQLQIEISA-N 0 0 313.365 0.995 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCCCc2c(C)nn(C)c2C)C1 ZINC000182292260 396248601 /nfs/dbraw/zinc/24/86/01/396248601.db2.gz JMBLOVAHANFGJV-OAHLLOKOSA-N 0 0 308.426 0.806 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000281937687 396249823 /nfs/dbraw/zinc/24/98/23/396249823.db2.gz RKVWGSYJYWEXOU-ZFWWWQNUSA-N 0 0 321.425 0.987 10 0 DCAERN CN(CCCO)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000281939321 396250511 /nfs/dbraw/zinc/25/05/11/396250511.db2.gz KJHWKPOOEGMEOM-UHFFFAOYSA-N 0 0 303.771 0.991 10 0 DCAERN CCc1cnccc1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000182512517 396251712 /nfs/dbraw/zinc/25/17/12/396251712.db2.gz JRKYAGQDLMWBFB-UHFFFAOYSA-N 0 0 311.407 0.104 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)CO2 ZINC000282068709 396260394 /nfs/dbraw/zinc/26/03/94/396260394.db2.gz BRJFJWOPVSZZKP-WCQYABFASA-N 0 0 318.373 0.935 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000079077179 396260760 /nfs/dbraw/zinc/26/07/60/396260760.db2.gz VDXALXBMTAIGJZ-LLVKDONJSA-N 0 0 322.409 0.402 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@H](C)C2 ZINC000183173723 396263894 /nfs/dbraw/zinc/26/38/94/396263894.db2.gz MFTBITKITUIINR-PELKAZGASA-N 0 0 314.345 0.617 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@H](C)CO1 ZINC000080541474 396282732 /nfs/dbraw/zinc/28/27/32/396282732.db2.gz UTNUHVKUBKGOLO-RKDXNWHRSA-N 0 0 316.354 0.723 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000183403876 396268755 /nfs/dbraw/zinc/26/87/55/396268755.db2.gz RSQOULYTIVMAPH-ZETCQYMHSA-N 0 0 301.310 0.586 10 0 DCAERN O=C(NC/C=C/c1ccccc1)NCC(=O)N1CCOCC1 ZINC000183578298 396271466 /nfs/dbraw/zinc/27/14/66/396271466.db2.gz BIRBWZIVBHLBPF-QPJJXVBHSA-N 0 0 303.362 0.858 10 0 DCAERN CC[C@@H](C)OCC(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183827496 396276006 /nfs/dbraw/zinc/27/60/06/396276006.db2.gz LRLWIUOLFCFLGR-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN Cn1ncnc1NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000183934959 396278466 /nfs/dbraw/zinc/27/84/66/396278466.db2.gz LUHHSJXCXIECBD-LLVKDONJSA-N 0 0 315.337 0.527 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000183942337 396278481 /nfs/dbraw/zinc/27/84/81/396278481.db2.gz AIXQPDXFXLPVRP-LLVKDONJSA-N 0 0 306.318 0.949 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1cccc(OCC(F)(F)F)n1 ZINC000178957146 396215735 /nfs/dbraw/zinc/21/57/35/396215735.db2.gz HMMVWWTXEFHBOH-LBPRGKRZSA-N 0 0 320.267 0.904 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@](C)(O)c2ccsc2)CCC1=O ZINC000077582969 396226282 /nfs/dbraw/zinc/22/62/82/396226282.db2.gz HMHKGRCKXQYDAJ-FZMZJTMJSA-N 0 0 311.407 0.876 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000179397927 396226847 /nfs/dbraw/zinc/22/68/47/396226847.db2.gz VIKXZDHRCNGBCF-QWHCGFSZSA-N 0 0 314.430 0.129 10 0 DCAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077684128 396228736 /nfs/dbraw/zinc/22/87/36/396228736.db2.gz MIISQFDXCCVXMC-VIFPVBQESA-N 0 0 320.328 0.901 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCCCc1c(C)nn(C)c1C ZINC000179788746 396229843 /nfs/dbraw/zinc/22/98/43/396229843.db2.gz OKEJSJFRBNJORI-UHFFFAOYSA-N 0 0 309.414 0.747 10 0 DCAERN CC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000077778121 396232839 /nfs/dbraw/zinc/23/28/39/396232839.db2.gz VPVNCGYKPSHJSE-OLZOCXBDSA-N 0 0 307.398 0.906 10 0 DCAERN C[C@@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)[C@H](C)CO ZINC000077788235 396232850 /nfs/dbraw/zinc/23/28/50/396232850.db2.gz JRAJFESULGVBLD-GHMZBOCLSA-N 0 0 311.357 0.872 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N(C)CCc1ccccn1)[C@H](C)CO ZINC000077808318 396233992 /nfs/dbraw/zinc/23/39/92/396233992.db2.gz HYJAJBBHVLJWGL-CHWSQXEVSA-N 0 0 322.409 0.399 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180686899 396234081 /nfs/dbraw/zinc/23/40/81/396234081.db2.gz SXRKYBWRTWZIQX-WDEREUQCSA-N 0 0 305.378 0.751 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2c(C)noc2C)CC1 ZINC000184961269 396312225 /nfs/dbraw/zinc/31/22/25/396312225.db2.gz BHJRZQDOBZNXDH-ZDUSSCGKSA-N 0 0 310.398 0.890 10 0 DCAERN O=C(NCCCc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000184994333 396313309 /nfs/dbraw/zinc/31/33/09/396313309.db2.gz QVMNTZFLHATITM-UHFFFAOYSA-N 0 0 315.377 0.533 10 0 DCAERN CCCCOCCNC(=O)CN1CCO[C@@]2(CCOC2)C1 ZINC000185198477 396320904 /nfs/dbraw/zinc/32/09/04/396320904.db2.gz ZFTZTITWRHDMPV-HNNXBMFYSA-N 0 0 300.399 0.411 10 0 DCAERN Cn1cc(CNC(=O)NCC(F)(F)CO)c(C(F)(F)F)n1 ZINC000185093487 396317587 /nfs/dbraw/zinc/31/75/87/396317587.db2.gz KFIQFXKWNLOYRS-UHFFFAOYSA-N 0 0 316.230 0.866 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000185099719 396317871 /nfs/dbraw/zinc/31/78/71/396317871.db2.gz JTFOHYBERJIZGJ-ZDUSSCGKSA-N 0 0 301.350 0.532 10 0 DCAERN CCOCc1ccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185180594 396321086 /nfs/dbraw/zinc/32/10/86/396321086.db2.gz ARASBUSQAUUITH-CVEARBPZSA-N 0 0 322.405 0.267 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064096 396283603 /nfs/dbraw/zinc/28/36/03/396283603.db2.gz GJFUGIUWZJPQMD-OLZOCXBDSA-N 0 0 321.425 0.910 10 0 DCAERN COc1cc(N2CCN([C@@H](C)C(=O)N(C)C(C)C)CC2)ncn1 ZINC000184093167 396285026 /nfs/dbraw/zinc/28/50/26/396285026.db2.gz SUBGWMAVEHEVCQ-ZDUSSCGKSA-N 0 0 321.425 0.863 10 0 DCAERN O=C(NC[C@H](O)CO)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184252544 396289143 /nfs/dbraw/zinc/28/91/43/396289143.db2.gz BSCTWDIDLYSVPL-WDEREUQCSA-N 0 0 306.284 0.812 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000184275288 396289353 /nfs/dbraw/zinc/28/93/53/396289353.db2.gz HTAYMNSKNYZAAY-NSHDSACASA-N 0 0 302.371 0.743 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC(=O)N1C ZINC000282423936 396289422 /nfs/dbraw/zinc/28/94/22/396289422.db2.gz QMZJTFVSUADENJ-MFKMUULPSA-N 0 0 317.345 0.465 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184356235 396291948 /nfs/dbraw/zinc/29/19/48/396291948.db2.gz UWUSMOKVLWOGDE-LBPRGKRZSA-N 0 0 324.406 0.616 10 0 DCAERN COC(=O)CCCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000184352888 396292352 /nfs/dbraw/zinc/29/23/52/396292352.db2.gz UDOCXNYIQVWFEC-GFCCVEGCSA-N 0 0 308.382 0.848 10 0 DCAERN COCCCCS(=O)(=O)NCCN1CCOCC1(C)C ZINC000184385528 396293038 /nfs/dbraw/zinc/29/30/38/396293038.db2.gz YGFPGSNSKBKENH-UHFFFAOYSA-N 0 0 308.444 0.443 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCO[C@]3(CCOC3)C2)cnn1C ZINC000184410824 396294708 /nfs/dbraw/zinc/29/47/08/396294708.db2.gz CXFUGHVLSGHOJV-XHDPSFHLSA-N 0 0 308.382 0.990 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000081411850 396300384 /nfs/dbraw/zinc/30/03/84/396300384.db2.gz IXHHXTDSUGLRHT-MCIONIFRSA-N 0 0 311.426 0.517 10 0 DCAERN COCCN1C[C@@H](C(=O)N(C)[C@H](CO)CC(C)C)CC1=O ZINC000184628612 396300518 /nfs/dbraw/zinc/30/05/18/396300518.db2.gz SLOCQRKLNJGNFB-STQMWFEESA-N 0 0 300.399 0.347 10 0 DCAERN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)N[C@H]1CCCOC1 ZINC000184713457 396302923 /nfs/dbraw/zinc/30/29/23/396302923.db2.gz WEZYCQGNQUCXBM-CMPLNLGQSA-N 0 0 310.375 0.993 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1ccc(Cl)cc1 ZINC000184724988 396303671 /nfs/dbraw/zinc/30/36/71/396303671.db2.gz NKYSAWZMQYLNEP-MGPQQGTHSA-N 0 0 310.781 0.873 10 0 DCAERN O=c1[nH]c(CN2C[C@@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731377 396303974 /nfs/dbraw/zinc/30/39/74/396303974.db2.gz DHUJOICFVVSYJL-ZJUUUORDSA-N 0 0 309.753 0.504 10 0 DCAERN CC1(C)c2cc(S(=O)(=O)N3CC(CO)C3)ccc2NC1=O ZINC000184901911 396310322 /nfs/dbraw/zinc/31/03/22/396310322.db2.gz XZAKXBMJOKKUNH-UHFFFAOYSA-N 0 0 310.375 0.529 10 0 DCAERN CCCOc1cccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185191376 396321238 /nfs/dbraw/zinc/32/12/38/396321238.db2.gz FRLDNDXUANMGCM-CABCVRRESA-N 0 0 322.405 0.519 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)no1 ZINC000265497066 396321848 /nfs/dbraw/zinc/32/18/48/396321848.db2.gz YBCRYFRGRLYROJ-NXEZZACHSA-N 0 0 322.408 0.320 10 0 DCAERN COCC(=O)NC1CN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000185222089 396322229 /nfs/dbraw/zinc/32/22/29/396322229.db2.gz URWTTXHLROSZJB-UHFFFAOYSA-N 0 0 316.279 0.620 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185253238 396323232 /nfs/dbraw/zinc/32/32/32/396323232.db2.gz RSRNQMKMQSJMKC-LBPRGKRZSA-N 0 0 301.350 0.709 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000185308918 396324436 /nfs/dbraw/zinc/32/44/36/396324436.db2.gz IULDBPNVBHTJSF-CHWSQXEVSA-N 0 0 311.407 0.768 10 0 DCAERN Cc1nccc(N2CCN(C(=O)Nc3nncs3)CC2)n1 ZINC000185365888 396325894 /nfs/dbraw/zinc/32/58/94/396325894.db2.gz ZLIOPJVBQHSSNQ-UHFFFAOYSA-N 0 0 305.367 0.991 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000185550259 396330415 /nfs/dbraw/zinc/33/04/15/396330415.db2.gz PIHBIINSPRYDTO-OAHLLOKOSA-N 0 0 308.309 0.782 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-c2nc[nH]n2)cc1 ZINC000185631568 396331733 /nfs/dbraw/zinc/33/17/33/396331733.db2.gz GOLVFODRCGUTTE-LBPRGKRZSA-N 0 0 309.333 0.808 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475062 396328640 /nfs/dbraw/zinc/32/86/40/396328640.db2.gz XIZKGZNNPWVOBH-NSHDSACASA-N 0 0 322.413 0.494 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000186086335 396340770 /nfs/dbraw/zinc/34/07/70/396340770.db2.gz NXSIIHVKSYVLGB-LBPRGKRZSA-N 0 0 307.325 0.526 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)c1cn(C)c2ccccc12 ZINC000185850915 396336026 /nfs/dbraw/zinc/33/60/26/396336026.db2.gz LJTVQBGLTUWTLG-ABAIWWIYSA-N 0 0 315.373 0.995 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000284655588 396346123 /nfs/dbraw/zinc/34/61/23/396346123.db2.gz SNBYAMQRTPIVIJ-IUCAKERBSA-N 0 0 322.752 0.703 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC)CO ZINC000186139182 396341748 /nfs/dbraw/zinc/34/17/48/396341748.db2.gz CJTVSMWLGRPXMQ-LPWJVIDDSA-N 0 0 300.399 0.177 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000186662416 396354655 /nfs/dbraw/zinc/35/46/55/396354655.db2.gz WYJPBQGSCROMRM-NEPJUHHUSA-N 0 0 308.382 0.628 10 0 DCAERN COc1ccc(F)cc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000186724678 396356054 /nfs/dbraw/zinc/35/60/54/396356054.db2.gz MUTCYATWHSOTJC-LLVKDONJSA-N 0 0 316.354 0.821 10 0 DCAERN COCCO[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000186751446 396356745 /nfs/dbraw/zinc/35/67/45/396356745.db2.gz QPMAVEGAXOIMHB-KGLIPLIRSA-N 0 0 322.409 0.679 10 0 DCAERN COCC1=CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 ZINC000186746849 396356991 /nfs/dbraw/zinc/35/69/91/396356991.db2.gz ISLWPMPMRHSAFA-UHFFFAOYSA-N 0 0 310.375 0.753 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186783176 396357306 /nfs/dbraw/zinc/35/73/06/396357306.db2.gz QTXKDWLFNSPEKN-MNOVXSKESA-N 0 0 322.365 0.651 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)c2cc3c(cn2)nc[nH]c3=O)[nH]n1 ZINC000186779984 396357840 /nfs/dbraw/zinc/35/78/40/396357840.db2.gz HXRCFBKLLVMAGJ-QMMMGPOBSA-N 0 0 312.333 0.711 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000187133284 396363709 /nfs/dbraw/zinc/36/37/09/396363709.db2.gz ISCHLIHKFFEJDU-UHFFFAOYSA-N 0 0 305.378 0.742 10 0 DCAERN O=C(c1ccccc1-n1ccnn1)N1CCO[C@]2(CCOC2)C1 ZINC000187171840 396364547 /nfs/dbraw/zinc/36/45/47/396364547.db2.gz DBVUCECIBFKZGV-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)N[C@H]3CCCOC3)CCO2)cn1 ZINC000268686857 396367725 /nfs/dbraw/zinc/36/77/25/396367725.db2.gz YRPMSFWOEFHDJK-DZGCQCFKSA-N 0 0 308.382 0.856 10 0 DCAERN Cn1nnc2c1nccc2C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000286007295 396369134 /nfs/dbraw/zinc/36/91/34/396369134.db2.gz RCTNTQRJNCSJBK-HNNXBMFYSA-N 0 0 317.349 0.385 10 0 DCAERN CNC(=O)c1ccc(NCCCCCS(C)(=O)=O)nn1 ZINC000186403532 396349329 /nfs/dbraw/zinc/34/93/29/396349329.db2.gz CGOHHRASROUQCD-UHFFFAOYSA-N 0 0 300.384 0.463 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186445086 396350014 /nfs/dbraw/zinc/35/00/14/396350014.db2.gz IXHGSMYVYRARQH-CHWSQXEVSA-N 0 0 303.362 0.929 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000285697750 396351309 /nfs/dbraw/zinc/35/13/09/396351309.db2.gz WSTZSNWTBRWKEH-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)N1CC(NC(=O)C2CCC2)C1 ZINC000188508056 396382851 /nfs/dbraw/zinc/38/28/51/396382851.db2.gz YKEOHEZLWOPYTL-CQSZACIVSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCO[C@@H](CO)C1 ZINC000269091324 396385032 /nfs/dbraw/zinc/38/50/32/396385032.db2.gz UBBSTYCMQGJOQB-GFCCVEGCSA-N 0 0 306.362 0.889 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCNC(=O)c1ccccc1 ZINC000188862133 396387739 /nfs/dbraw/zinc/38/77/39/396387739.db2.gz ZPXWZJCQYKSMSV-CYBMUJFWSA-N 0 0 317.389 0.934 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000188883094 396388171 /nfs/dbraw/zinc/38/81/71/396388171.db2.gz MPNLVJBJGAHLER-LLVKDONJSA-N 0 0 313.361 0.833 10 0 DCAERN Cc1c(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cnn1C ZINC000188909855 396388700 /nfs/dbraw/zinc/38/87/00/396388700.db2.gz YLBJENIZBCZHNX-UHFFFAOYSA-N 0 0 305.382 0.539 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2CC2(Cl)Cl)CC1=O ZINC000189062317 396390462 /nfs/dbraw/zinc/39/04/62/396390462.db2.gz RUWSROWTHQBWAL-SECBINFHSA-N 0 0 309.193 0.888 10 0 DCAERN CCN1CCCN(C(=O)NCc2cccc(OC)n2)CC1=O ZINC000189185318 396392366 /nfs/dbraw/zinc/39/23/66/396392366.db2.gz AMHVTSLYVCWPGA-UHFFFAOYSA-N 0 0 306.366 0.854 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC2)n[nH]1 ZINC000189741914 396398350 /nfs/dbraw/zinc/39/83/50/396398350.db2.gz PTPGPYIRWUEBKC-GFCCVEGCSA-N 0 0 321.425 0.918 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CCCN(C)C(=O)C1)C(C)C ZINC000189767886 396398880 /nfs/dbraw/zinc/39/88/80/396398880.db2.gz QAAKDTFDAKHKTA-HNNXBMFYSA-N 0 0 311.426 0.864 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@@H](C)C1 ZINC000189993659 396401772 /nfs/dbraw/zinc/40/17/72/396401772.db2.gz GVWLTQIWXAALCF-BFHYXJOUSA-N 0 0 312.410 0.897 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)NCCCn1ccnn1 ZINC000190188536 396402907 /nfs/dbraw/zinc/40/29/07/396402907.db2.gz ODNIJKLMPMXXQV-UHFFFAOYSA-N 0 0 304.398 0.885 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000190204791 396403014 /nfs/dbraw/zinc/40/30/14/396403014.db2.gz LMOPZGGTHNFMQK-WCQYABFASA-N 0 0 314.411 0.049 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000190287071 396404226 /nfs/dbraw/zinc/40/42/26/396404226.db2.gz HJEODMVJNGBDFE-CQSZACIVSA-N 0 0 316.361 0.703 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000190321203 396405413 /nfs/dbraw/zinc/40/54/13/396405413.db2.gz KGTOWUHUUGDDQA-YPMHNXCESA-N 0 0 314.411 0.497 10 0 DCAERN CCN1CN(C(=O)c2ccc(S(=O)(=O)CC)cc2)CC1=O ZINC000190501039 396407278 /nfs/dbraw/zinc/40/72/78/396407278.db2.gz VFUZZXJDVRUILT-UHFFFAOYSA-N 0 0 310.375 0.742 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)N1CCc2c1cccc2F ZINC000190674772 396409361 /nfs/dbraw/zinc/40/93/61/396409361.db2.gz LQCMHYVMQHXQPQ-SNVBAGLBSA-N 0 0 319.336 0.452 10 0 DCAERN CCn1cc([C@H]2CN(CCCN3C(=O)CNC3=O)CCO2)cn1 ZINC000190790908 396412077 /nfs/dbraw/zinc/41/20/77/396412077.db2.gz USQCBCDKARTMNK-CYBMUJFWSA-N 0 0 321.381 0.218 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1F ZINC000190993013 396413693 /nfs/dbraw/zinc/41/36/93/396413693.db2.gz PNLJALUGQAXDML-SECBINFHSA-N 0 0 316.354 0.733 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191098862 396415249 /nfs/dbraw/zinc/41/52/49/396415249.db2.gz JUFZZZPPDWUBCG-UHFFFAOYSA-N 0 0 319.405 0.818 10 0 DCAERN CN1CCCN(CC(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000191109334 396415849 /nfs/dbraw/zinc/41/58/49/396415849.db2.gz YYBLRHREPARHTI-UHFFFAOYSA-N 0 0 304.350 0.499 10 0 DCAERN CN1CCCN(CCNS(=O)(=O)c2ccccc2)CC1=O ZINC000191122056 396415922 /nfs/dbraw/zinc/41/59/22/396415922.db2.gz KPAQGKNSRSPKBH-UHFFFAOYSA-N 0 0 311.407 0.129 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191249565 396417640 /nfs/dbraw/zinc/41/76/40/396417640.db2.gz MWNAQHBPHNUSQI-UHTWSYAYSA-N 0 0 301.408 0.980 10 0 DCAERN CCc1nnc(C2CCN(C(=O)CN3CSCC3=O)CC2)[nH]1 ZINC000191509640 396420407 /nfs/dbraw/zinc/42/04/07/396420407.db2.gz PILYFJLCLVQCCX-UHFFFAOYSA-N 0 0 323.422 0.606 10 0 DCAERN CCN1CN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1=O ZINC000191566930 396422166 /nfs/dbraw/zinc/42/21/66/396422166.db2.gz WSMCOPKGSQGECG-GFCCVEGCSA-N 0 0 307.369 0.995 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000191856802 396425821 /nfs/dbraw/zinc/42/58/21/396425821.db2.gz ZQXPDCRVOOPPHS-NSHDSACASA-N 0 0 304.412 0.532 10 0 DCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000193198062 396445575 /nfs/dbraw/zinc/44/55/75/396445575.db2.gz SLXUZQYOZZNMJW-GHMZBOCLSA-N 0 0 308.382 0.980 10 0 DCAERN CC(C)COC1CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1 ZINC000192018258 396428253 /nfs/dbraw/zinc/42/82/53/396428253.db2.gz VSPCQLAZYIITJN-LBPRGKRZSA-N 0 0 320.455 0.930 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000192289866 396430966 /nfs/dbraw/zinc/43/09/66/396430966.db2.gz KEJWADWPEZKKNA-ZDUSSCGKSA-N 0 0 303.362 0.348 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000287931545 396431670 /nfs/dbraw/zinc/43/16/70/396431670.db2.gz PVIMOFGACIUWRP-GVXVVHGQSA-N 0 0 306.366 0.030 10 0 DCAERN Cc1c(NC(=O)CN2CC(=O)NC2=O)cnn1C1CCCC1 ZINC000192715049 396435722 /nfs/dbraw/zinc/43/57/22/396435722.db2.gz RUTANSFRCNWYQR-UHFFFAOYSA-N 0 0 305.338 0.797 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000192871968 396439748 /nfs/dbraw/zinc/43/97/48/396439748.db2.gz CNOHZTSPNZJZPU-GWCFXTLKSA-N 0 0 315.366 0.836 10 0 DCAERN CCc1[nH]c(C(=O)N2CCCN(C)C(=O)C2)c(C)c1C(=O)OC ZINC000188165695 396379511 /nfs/dbraw/zinc/37/95/11/396379511.db2.gz MZSIISBOCGNODS-UHFFFAOYSA-N 0 0 321.377 0.976 10 0 DCAERN COC(=O)[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000507277046 396497021 /nfs/dbraw/zinc/49/70/21/396497021.db2.gz HEDAODNFNRFTGJ-MNOVXSKESA-N 0 0 310.316 0.791 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000580845661 396505479 /nfs/dbraw/zinc/50/54/79/396505479.db2.gz YQIQRXFCWUOEIR-LBPRGKRZSA-N 0 0 300.366 0.398 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193328367 396449333 /nfs/dbraw/zinc/44/93/33/396449333.db2.gz AKZBZZBDRICFJL-SCZZXKLOSA-N 0 0 324.768 0.834 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cccc(F)c2F)C1 ZINC000288958517 396451024 /nfs/dbraw/zinc/45/10/24/396451024.db2.gz PTIZHSIDXFVKQN-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000371690873 396474622 /nfs/dbraw/zinc/47/46/22/396474622.db2.gz ZRTHEDBRPNTEAX-QWHCGFSZSA-N 0 0 319.386 0.439 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000371817367 396477569 /nfs/dbraw/zinc/47/75/69/396477569.db2.gz WBZVBRBHPQUPBG-KRWDZBQOSA-N 0 0 317.433 0.670 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000371829472 396478240 /nfs/dbraw/zinc/47/82/40/396478240.db2.gz AZJZYQLORRTJQJ-HNNXBMFYSA-N 0 0 314.349 0.859 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000371834592 396478274 /nfs/dbraw/zinc/47/82/74/396478274.db2.gz LMHKJBSLMWPEQB-KRWDZBQOSA-N 0 0 317.433 0.970 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)ccc1F ZINC000371955348 396480804 /nfs/dbraw/zinc/48/08/04/396480804.db2.gz SLQYOKMGYHGITF-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000580151207 396489748 /nfs/dbraw/zinc/48/97/48/396489748.db2.gz KEDZQDWFKCQRDJ-LLVKDONJSA-N 0 0 321.381 0.482 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)NCC1(O)Cc2ccccc2C1 ZINC000372150717 396492797 /nfs/dbraw/zinc/49/27/97/396492797.db2.gz WOQNFGLMPSNIMX-CQSZACIVSA-N 0 0 311.403 0.615 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000372465883 396519812 /nfs/dbraw/zinc/51/98/12/396519812.db2.gz SKAYIPNLZGJGBY-WDEREUQCSA-N 0 0 304.394 0.985 10 0 DCAERN O=C(CN1C[C@H](F)C[C@@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511344 396523101 /nfs/dbraw/zinc/52/31/01/396523101.db2.gz DXEDOKFYZKOJAE-ZYHUDNBSSA-N 0 0 301.362 0.550 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCc3nc(C(C)C)ncc3C2)C1 ZINC000527625852 396547143 /nfs/dbraw/zinc/54/71/43/396547143.db2.gz WUYQMAHSSIZVKV-UHFFFAOYSA-N 0 0 302.378 0.963 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)cc1 ZINC000528485719 396556567 /nfs/dbraw/zinc/55/65/67/396556567.db2.gz UOJZNVTYJBQARY-UONOGXRCSA-N 0 0 313.375 0.707 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000581587046 396566506 /nfs/dbraw/zinc/56/65/06/396566506.db2.gz UZMHEXBRDGPQCT-UHFFFAOYSA-N 0 0 321.377 0.303 10 0 DCAERN CC[C@H]1CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000293946561 396643336 /nfs/dbraw/zinc/64/33/36/396643336.db2.gz ISRLBFIIVGHHMQ-JTQLQIEISA-N 0 0 302.334 0.257 10 0 DCAERN COc1ncncc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000562282431 396655419 /nfs/dbraw/zinc/65/54/19/396655419.db2.gz BIXMCBIZALKRGG-UHFFFAOYSA-N 0 0 308.338 0.357 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC000373727115 396610427 /nfs/dbraw/zinc/61/04/27/396610427.db2.gz KNAVHIKHRDVMLS-NWDGAFQWSA-N 0 0 305.382 0.366 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000293476740 396611903 /nfs/dbraw/zinc/61/19/03/396611903.db2.gz QKJZAJADFRPUMJ-SNVBAGLBSA-N 0 0 301.368 0.302 10 0 DCAERN CC(C)(C)OC(=O)N1CCC[C@@](C[C@H](O)C[NH3+])(C(=O)[O-])C1 ZINC000584880880 396631847 /nfs/dbraw/zinc/63/18/47/396631847.db2.gz JTHFVRKGLLRPQH-HZMBPMFUSA-N 0 0 302.371 0.798 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)COCc1ccnn1C ZINC000293854683 396637869 /nfs/dbraw/zinc/63/78/69/396637869.db2.gz HVGNVWOGSHQOSG-CQSZACIVSA-N 0 0 322.409 0.700 10 0 DCAERN C[S@](=O)Cc1ccc(CNC(=O)CN2CCOCC2=O)cc1 ZINC000561451169 396641382 /nfs/dbraw/zinc/64/13/82/396641382.db2.gz BEPPIUDOWVYOBK-QFIPXVFZSA-N 0 0 324.402 0.040 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@@H]2CCCCS2(=O)=O)C1=O ZINC000562403366 396661562 /nfs/dbraw/zinc/66/15/62/396661562.db2.gz HYCNATFNWHOZRM-NPRAVPSUSA-N 0 0 300.380 0.840 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCC1CCCC1 ZINC000585821017 396661735 /nfs/dbraw/zinc/66/17/35/396661735.db2.gz NHHCOYBWINUXMY-UHFFFAOYSA-N 0 0 303.428 0.901 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000562417928 396663217 /nfs/dbraw/zinc/66/32/17/396663217.db2.gz UUIPNIWNRARUQS-DZGCQCFKSA-N 0 0 316.361 0.147 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N1C2CCC1CC2 ZINC000587117655 396670790 /nfs/dbraw/zinc/67/07/90/396670790.db2.gz LRDYROMJEMHMET-UHFFFAOYSA-N 0 0 301.412 0.748 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000588232077 396682225 /nfs/dbraw/zinc/68/22/25/396682225.db2.gz UAEXMDRYZWNDJE-SCRDCRAPSA-N 0 0 309.410 0.903 10 0 DCAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000374836070 396690943 /nfs/dbraw/zinc/69/09/43/396690943.db2.gz MLZPEKAUDUMCAB-GFCCVEGCSA-N 0 0 303.366 0.310 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N2CC(n3ccnn3)C2)c1 ZINC000374846783 396691994 /nfs/dbraw/zinc/69/19/94/396691994.db2.gz PHYAEZOCEBQOBW-UHFFFAOYSA-N 0 0 315.333 0.855 10 0 DCAERN Cc1noc(-c2cccnc2N2CCN3CCOC[C@@H]3C2)n1 ZINC000374914668 396697325 /nfs/dbraw/zinc/69/73/25/396697325.db2.gz SCWTWTMGBXYKEG-LBPRGKRZSA-N 0 0 301.350 0.961 10 0 DCAERN O=C(c1ccc2c(c1)OCCO2)N1CCN2CCOC[C@@H]2C1 ZINC000374964765 396701622 /nfs/dbraw/zinc/70/16/22/396701622.db2.gz RFBKUVZUQKBBJA-ZDUSSCGKSA-N 0 0 304.346 0.614 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CCCc3nn(C)cc32)CC1 ZINC000375021174 396705080 /nfs/dbraw/zinc/70/50/80/396705080.db2.gz ZPCZHXPLJVKIMG-AWEZNQCLSA-N 0 0 321.425 0.771 10 0 DCAERN C[S@@](=O)C1(CNC(=O)C(=O)N2CCCSCC2)CCC1 ZINC000589248327 396710182 /nfs/dbraw/zinc/71/01/82/396710182.db2.gz UJHZPTXIPUTVRK-HXUWFJFHSA-N 0 0 318.464 0.369 10 0 DCAERN NC(=O)[C@@H](O)C1CCN(c2ncc(Br)cn2)CC1 ZINC000299739703 396713091 /nfs/dbraw/zinc/71/30/91/396713091.db2.gz ACIQWNHFBVUKGZ-VIFPVBQESA-N 0 0 315.171 0.302 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(c3ncnc4[nH]ccc43)CC[C@@H]21 ZINC000299744338 396713967 /nfs/dbraw/zinc/71/39/67/396713967.db2.gz SBERYIOIZIJEBG-NEPJUHHUSA-N 0 0 316.365 0.577 10 0 DCAERN CCN(C)S(=O)(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375247417 396720949 /nfs/dbraw/zinc/72/09/49/396720949.db2.gz FWODJCUGJJQTRT-JTQLQIEISA-N 0 0 300.384 0.933 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617709362 396782734 /nfs/dbraw/zinc/78/27/34/396782734.db2.gz WCUGEQHNRBNKGO-HNNXBMFYSA-N 0 0 301.383 0.666 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000625166088 396792720 /nfs/dbraw/zinc/79/27/20/396792720.db2.gz CTKKWKYRVWPDNV-CHWSQXEVSA-N 0 0 318.439 0.732 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C2CC2)on1 ZINC000600127547 396742544 /nfs/dbraw/zinc/74/25/44/396742544.db2.gz BQKURQLGDKOIMQ-LLVKDONJSA-N 0 0 320.349 0.019 10 0 DCAERN CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCCc2cccnc21 ZINC000375496531 396758095 /nfs/dbraw/zinc/75/80/95/396758095.db2.gz PSONLBCKKZLJSW-NSHDSACASA-N 0 0 302.334 0.469 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000312314650 396762933 /nfs/dbraw/zinc/76/29/33/396762933.db2.gz QSMUUZDKEWYWPD-LBPRGKRZSA-N 0 0 318.782 0.259 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)NCC[C@H](O)C(F)F ZINC000633994265 396766578 /nfs/dbraw/zinc/76/65/78/396766578.db2.gz MTYPMFPRXCZFTC-SFYZADRCSA-N 0 0 306.334 0.999 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@]23CCOC3)cs1 ZINC000312855196 396768214 /nfs/dbraw/zinc/76/82/14/396768214.db2.gz QZUDWWKRFYOLKN-LBPRGKRZSA-N 0 0 316.404 0.791 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCCO[C@@H]2CC2(F)F)CC1 ZINC000596399921 396768489 /nfs/dbraw/zinc/76/84/89/396768489.db2.gz IXGLPWKMYPTOKB-LLVKDONJSA-N 0 0 322.377 0.835 10 0 DCAERN COC(=O)C(C)(C)[C@H](NC(=O)Cn1cnnn1)c1ccccc1 ZINC000610823279 396768731 /nfs/dbraw/zinc/76/87/31/396768731.db2.gz ADJBWUWITBBUTK-CYBMUJFWSA-N 0 0 317.349 0.730 10 0 DCAERN CCOC(=O)c1cnc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)s1 ZINC000596432639 396774606 /nfs/dbraw/zinc/77/46/06/396774606.db2.gz IJTCXYJLOMFMPU-SFYZADRCSA-N 0 0 320.392 0.544 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375589179 396777444 /nfs/dbraw/zinc/77/74/44/396777444.db2.gz AOMWUIVETOSQON-MNOVXSKESA-N 0 0 319.365 0.677 10 0 DCAERN CC(=O)N[C@H](C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C(C)C ZINC000634239936 396818866 /nfs/dbraw/zinc/81/88/66/396818866.db2.gz VJAQWROAZRBDJZ-AXFHLTTASA-N 0 0 310.316 0.776 10 0 DCAERN CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1ccnn1C ZINC000328620621 396825094 /nfs/dbraw/zinc/82/50/94/396825094.db2.gz HDLUNYAPORUFSI-NSHDSACASA-N 0 0 309.395 0.500 10 0 DCAERN CCCn1cc(C(=O)N(CC(N)=O)C[C@H]2CN(C)CCO2)cn1 ZINC000328627421 396825261 /nfs/dbraw/zinc/82/52/61/396825261.db2.gz GCGLKFDZSAZMTD-CYBMUJFWSA-N 0 0 323.397 0.601 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ccncc1Br ZINC000625282591 396829253 /nfs/dbraw/zinc/82/92/53/396829253.db2.gz YPMPDQIUFJRPJS-SNVBAGLBSA-N 0 0 300.156 0.530 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)N2CCN(C)CC2)[nH]1 ZINC000328705605 396831176 /nfs/dbraw/zinc/83/11/76/396831176.db2.gz YTQDTNBCYGLELK-GXTWGEPZSA-N 0 0 320.441 0.803 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@H]3CCCCO3)C1)C2 ZINC000328656159 396831570 /nfs/dbraw/zinc/83/15/70/396831570.db2.gz ZBGQAOVWTLGKER-CYBMUJFWSA-N 0 0 305.382 0.182 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000375839123 396831633 /nfs/dbraw/zinc/83/16/33/396831633.db2.gz LJSRNYCBGAOCLN-MRVWCRGKSA-N 0 0 320.393 0.704 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCCN(C)[C@H]3C1)CC2 ZINC000328860196 396834552 /nfs/dbraw/zinc/83/45/52/396834552.db2.gz AHSJASWRBSBCDH-UHOFOFEASA-N 0 0 318.421 0.457 10 0 DCAERN COC[C@@H](O)Cn1c(C)nc2cc(C(=O)OC)ccc2c1=O ZINC000611471184 396868862 /nfs/dbraw/zinc/86/88/62/396868862.db2.gz ZEEUIDVNVYHTKA-NSHDSACASA-N 0 0 306.318 0.499 10 0 DCAERN C[C@@H]1CC(=O)NCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000375881221 396839229 /nfs/dbraw/zinc/83/92/29/396839229.db2.gz PWORFUQLXBTUMH-GFCCVEGCSA-N 0 0 313.361 0.682 10 0 DCAERN CCCN(C(=O)NCCCN1CCCS1(=O)=O)C1CC1 ZINC000590983990 396861771 /nfs/dbraw/zinc/86/17/71/396861771.db2.gz TXNKPBBFXXDZKY-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000591091193 396876549 /nfs/dbraw/zinc/87/65/49/396876549.db2.gz KGMRLNMDSVKNAL-GFCCVEGCSA-N 0 0 317.349 0.773 10 0 DCAERN Cn1[nH]cnc1=NC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000376147686 396884983 /nfs/dbraw/zinc/88/49/83/396884983.db2.gz GFZQNIRBGCTNAU-UHFFFAOYSA-N 0 0 305.317 0.125 10 0 DCAERN COC(=O)c1cc(C(=O)NC[C@@H](CO)c2ccccc2)on1 ZINC000611591983 396893108 /nfs/dbraw/zinc/89/31/08/396893108.db2.gz SVMJLRSASXHJFH-NSHDSACASA-N 0 0 304.302 0.967 10 0 DCAERN CN(C[C@H]1CCCC[C@@H]1O)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332842391 396897101 /nfs/dbraw/zinc/89/71/01/396897101.db2.gz KVJJGNYCRANSLP-RQJABVFESA-N 0 0 323.397 0.411 10 0 DCAERN COC1(c2ccccc2)CN(C(=O)Cn2cc([C@@H](C)O)nn2)C1 ZINC000376288148 396905173 /nfs/dbraw/zinc/90/51/73/396905173.db2.gz JITINEKGZYXPRH-GFCCVEGCSA-N 0 0 316.361 0.716 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@](F)(CO)C1)CS2 ZINC000376409258 396924143 /nfs/dbraw/zinc/92/41/43/396924143.db2.gz RISKLBIJMGHVJH-LEWSCRJBSA-N 0 0 316.398 0.763 10 0 DCAERN COC[C@@H](NC(=O)c1nc2n(n1)CCCN2)c1ccc(C)o1 ZINC000611802505 396931686 /nfs/dbraw/zinc/93/16/86/396931686.db2.gz BVSKTFGDTDUOCX-SNVBAGLBSA-N 0 0 305.338 0.370 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1F ZINC000625593401 396939642 /nfs/dbraw/zinc/93/96/42/396939642.db2.gz AIEOAQMWMSDJHW-YUMQZZPRSA-N 0 0 311.281 0.532 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1Cl ZINC000625599003 396943935 /nfs/dbraw/zinc/94/39/35/396943935.db2.gz VTAZWMURIVOTIK-MNOVXSKESA-N 0 0 321.782 0.777 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1C ZINC000625599658 396943972 /nfs/dbraw/zinc/94/39/72/396943972.db2.gz ZICXVBNSJSYJGD-RYUDHWBXSA-N 0 0 301.364 0.432 10 0 DCAERN c1cnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)nn1 ZINC000625642763 396964044 /nfs/dbraw/zinc/96/40/44/396964044.db2.gz XVYUPWLEYOPMJR-UHFFFAOYSA-N 0 0 313.361 0.965 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000376924830 396997086 /nfs/dbraw/zinc/99/70/86/396997086.db2.gz ZTVOYPFDEXRQCH-UHFFFAOYSA-N 0 0 323.372 0.531 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408056551 292102755 /nfs/dbraw/zinc/10/27/55/292102755.db2.gz IVRMMLZCQWDREV-GXTWGEPZSA-N 0 0 320.393 0.577 10 0 DCAERN COC1(CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCC1 ZINC000618677360 397010281 /nfs/dbraw/zinc/01/02/81/397010281.db2.gz HUQAMBMSITYNAW-LLVKDONJSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccncc2F)CCN1S(C)(=O)=O ZINC000618676564 397010294 /nfs/dbraw/zinc/01/02/94/397010294.db2.gz SWXXRBHRCBXFPI-SECBINFHSA-N 0 0 301.343 0.327 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccccc2F)CCN1S(C)(=O)=O ZINC000618681460 397013077 /nfs/dbraw/zinc/01/30/77/397013077.db2.gz GXNZBDVVNDZPMZ-SNVBAGLBSA-N 0 0 300.355 0.932 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC000618721680 397017890 /nfs/dbraw/zinc/01/78/90/397017890.db2.gz YFBDTFCUKOAXEQ-NXEZZACHSA-N 0 0 323.349 0.276 10 0 DCAERN Cc1nnc(N2CCC[C@@H]2C(=O)N(C)C)n1C[C@@H]1CCCO1 ZINC000572087655 397018512 /nfs/dbraw/zinc/01/85/12/397018512.db2.gz DCTDSUAGZZFSTO-QWHCGFSZSA-N 0 0 307.398 0.823 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1CCSC1 ZINC000625871954 397021415 /nfs/dbraw/zinc/02/14/15/397021415.db2.gz DAVGNVFJFWJISB-SNVBAGLBSA-N 0 0 315.439 0.418 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)[nH]c1C ZINC000618756531 397022751 /nfs/dbraw/zinc/02/27/51/397022751.db2.gz HRDBLKNTLMVVKI-WDEREUQCSA-N 0 0 309.366 0.818 10 0 DCAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000377092324 397029125 /nfs/dbraw/zinc/02/91/25/397029125.db2.gz OYZVDRMYCFSJGL-CYBMUJFWSA-N 0 0 313.361 0.628 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@@H](C)O1 ZINC000630496687 397032214 /nfs/dbraw/zinc/03/22/14/397032214.db2.gz SPWOJAMBTIHMLV-MRTMQBJTSA-N 0 0 318.420 0.825 10 0 DCAERN Cc1nccn1CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000572469204 397062297 /nfs/dbraw/zinc/06/22/97/397062297.db2.gz COXWVDZOIQBCJD-UHFFFAOYSA-N 0 0 312.333 0.594 10 0 DCAERN Cc1cc(CCNC(=O)NCCN2CCOC(C)(C)C2)on1 ZINC000572508761 397067960 /nfs/dbraw/zinc/06/79/60/397067960.db2.gz LAEJLVPCTPWBQR-UHFFFAOYSA-N 0 0 310.398 0.936 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619140072 397087488 /nfs/dbraw/zinc/08/74/88/397087488.db2.gz ONLSZDLNLXTHAK-HNNXBMFYSA-N 0 0 317.389 0.472 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)NCCCN1C(=O)CCC1=O ZINC000592353003 397157074 /nfs/dbraw/zinc/15/70/74/397157074.db2.gz KHZPVOYDHJLDCR-UHFFFAOYSA-N 0 0 307.354 0.698 10 0 DCAERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000377908943 397162355 /nfs/dbraw/zinc/16/23/55/397162355.db2.gz IBZZNBUWMHZIIH-XHNCKOQMSA-N 0 0 309.288 0.626 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1nncn1C1CC1 ZINC000592429162 397174201 /nfs/dbraw/zinc/17/42/01/397174201.db2.gz HXBZSSYXPUNAOF-GFCCVEGCSA-N 0 0 305.382 0.876 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N[C@H]2CCN(CC)C2=O)c1 ZINC000619825289 397197653 /nfs/dbraw/zinc/19/76/53/397197653.db2.gz LARDTXUYDCTPMZ-ZDUSSCGKSA-N 0 0 319.361 0.917 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000364516264 397213809 /nfs/dbraw/zinc/21/38/09/397213809.db2.gz DIBVCVVVOVDUCM-NSHDSACASA-N 0 0 318.362 0.727 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2S(=O)(=O)CCC2CC2)n1 ZINC000364542721 397218035 /nfs/dbraw/zinc/21/80/35/397218035.db2.gz NXDKSIOHCVLLKP-GHMZBOCLSA-N 0 0 301.368 0.616 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619980731 397219219 /nfs/dbraw/zinc/21/92/19/397219219.db2.gz BBAYBJZCQQTESL-BBRMVZONSA-N 0 0 324.425 0.459 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C=Cc3cnn(C)c3C)CCO2)[nH]1 ZINC000378273392 397221394 /nfs/dbraw/zinc/22/13/94/397221394.db2.gz QQHNYDZIFICICJ-MUBLQREKSA-N 0 0 316.365 0.768 10 0 DCAERN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC000378272754 397221854 /nfs/dbraw/zinc/22/18/54/397221854.db2.gz YTNYLMFBWONULC-GFCCVEGCSA-N 0 0 311.345 0.584 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000364725353 397240155 /nfs/dbraw/zinc/24/01/55/397240155.db2.gz ZOPAKVJMAMJOQI-ZFWWWQNUSA-N 0 0 323.437 0.567 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(CC(N)=O)CC2)c1 ZINC000592752199 397241697 /nfs/dbraw/zinc/24/16/97/397241697.db2.gz SZTBFWAQIOEKAO-GJZGRUSLSA-N 0 0 317.389 0.428 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000574197668 397244849 /nfs/dbraw/zinc/24/48/49/397244849.db2.gz PZDNISMHOHZRDN-UHFFFAOYSA-N 0 0 318.337 0.323 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000364767394 397245941 /nfs/dbraw/zinc/24/59/41/397245941.db2.gz FJNTURNKFTYKPI-LLVKDONJSA-N 0 0 319.361 0.290 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000620893908 397315901 /nfs/dbraw/zinc/31/59/01/397315901.db2.gz AFFRAYCETJLGFV-UHFFFAOYSA-N 0 0 303.362 0.585 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)C(C)(C)O ZINC000394017385 397308579 /nfs/dbraw/zinc/30/85/79/397308579.db2.gz DSVREDORUYPKBW-ZJUUUORDSA-N 0 0 308.400 0.008 10 0 DCAERN Cc1ncc(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)o1 ZINC000397973829 397313072 /nfs/dbraw/zinc/31/30/72/397313072.db2.gz COHSGKGDTUNFBA-VIFPVBQESA-N 0 0 315.317 0.895 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598621529 397260976 /nfs/dbraw/zinc/26/09/76/397260976.db2.gz HQQUEYCUZUUCKV-QMMMGPOBSA-N 0 0 300.327 0.361 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccoc2)CC1 ZINC000407951637 397333982 /nfs/dbraw/zinc/33/39/82/397333982.db2.gz CQAQMTQNOSFQME-CYBMUJFWSA-N 0 0 321.377 0.285 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)CC(=O)N1C ZINC000407950529 397334085 /nfs/dbraw/zinc/33/40/85/397334085.db2.gz AITGVITWANXNPO-SBKAZYGRSA-N 0 0 301.412 0.160 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000407952837 397334955 /nfs/dbraw/zinc/33/49/55/397334955.db2.gz AYWCGPKWGYATBM-NSHDSACASA-N 0 0 308.382 0.012 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1=O ZINC000407958352 397337076 /nfs/dbraw/zinc/33/70/76/397337076.db2.gz QGOBLUIVESWPAF-MGPQQGTHSA-N 0 0 306.362 0.685 10 0 DCAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000407961035 397338001 /nfs/dbraw/zinc/33/80/01/397338001.db2.gz ZXZZYYDBOFYRHS-RYUDHWBXSA-N 0 0 324.425 0.409 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000407961074 397338112 /nfs/dbraw/zinc/33/81/12/397338112.db2.gz AGANRIWLLCNYDB-UPJWGTAASA-N 0 0 303.424 0.963 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CCO2)n1 ZINC000407968865 397341619 /nfs/dbraw/zinc/34/16/19/397341619.db2.gz VCLLFSNSTUCZIE-FDRIWYBQSA-N 0 0 322.409 0.936 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000408001434 397343731 /nfs/dbraw/zinc/34/37/31/397343731.db2.gz PYWXSBMWIUQRJW-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN O=C(CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000408043031 397344672 /nfs/dbraw/zinc/34/46/72/397344672.db2.gz IYRXTPOUTNFOPB-RRFJBIMHSA-N 0 0 312.410 0.097 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000408051820 397345202 /nfs/dbraw/zinc/34/52/02/397345202.db2.gz MAXKFECMYJHPFD-MNOVXSKESA-N 0 0 309.453 0.871 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CC[S@@](=O)[C@@H](C)C3)nc12 ZINC000408211645 397350457 /nfs/dbraw/zinc/35/04/57/397350457.db2.gz QGPOBYIEFQJTFB-LAJNKCICSA-N 0 0 305.403 0.956 10 0 DCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408311428 397352572 /nfs/dbraw/zinc/35/25/72/397352572.db2.gz YWILKSJRXHZEBL-ASAPTCPQSA-N 0 0 300.302 0.216 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@@H]1CO ZINC000366509074 397369686 /nfs/dbraw/zinc/36/96/86/397369686.db2.gz CKCMUYYDWFUPIK-FDYHWXHSSA-N 0 0 318.439 0.755 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)CCC[C@@H]2CCOC2)C1 ZINC000621315195 397372550 /nfs/dbraw/zinc/37/25/50/397372550.db2.gz WKTFBMVIQNTQJJ-CHWSQXEVSA-N 0 0 304.412 0.343 10 0 DCAERN Cn1c(=O)cccc1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366535765 397372834 /nfs/dbraw/zinc/37/28/34/397372834.db2.gz ZAOMFDNATCPPML-INIZCTEOSA-N 0 0 306.362 0.795 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)C1 ZINC000614092083 397381707 /nfs/dbraw/zinc/38/17/07/397381707.db2.gz CMDATVHDFXETQW-FMKPAKJESA-N 0 0 311.401 0.890 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC000620913193 397319762 /nfs/dbraw/zinc/31/97/62/397319762.db2.gz YBCVVZFMOXZPIP-HNNXBMFYSA-N 0 0 323.437 0.567 10 0 DCAERN COC(=O)[C@H](C)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000613784751 397321489 /nfs/dbraw/zinc/32/14/89/397321489.db2.gz FASHTSUIDLREKU-NSHDSACASA-N 0 0 324.402 0.625 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1=O ZINC000370178800 397452227 /nfs/dbraw/zinc/45/22/27/397452227.db2.gz ITDZFHHVFJHFGH-UPJWGTAASA-N 0 0 305.382 0.897 10 0 DCAERN COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000578551294 397453844 /nfs/dbraw/zinc/45/38/44/397453844.db2.gz GTVDMRFFDUBNOZ-WBMJQRKESA-N 0 0 318.377 0.833 10 0 DCAERN CO[C@H]1C[C@@H](CN(C)Cc2cc(=O)n3[n-]ccc3n2)[N@H+](C)C1 ZINC000578212376 397407463 /nfs/dbraw/zinc/40/74/63/397407463.db2.gz LRWHEBLHGVNPPA-STQMWFEESA-N 0 0 305.382 0.174 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000442501764 397413978 /nfs/dbraw/zinc/41/39/78/397413978.db2.gz UOMFYJWAMBTKEL-HOTUBEGUSA-N 0 0 323.315 0.752 10 0 DCAERN CO[C@@H]1COC[C@H]1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000333641147 285798327 /nfs/dbraw/zinc/79/83/27/285798327.db2.gz CCPBEHZSPOHGTA-CHWSQXEVSA-N 0 0 303.424 0.834 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000614580309 397473401 /nfs/dbraw/zinc/47/34/01/397473401.db2.gz CPYXVLNXWBORHJ-UHFFFAOYSA-N 0 0 307.394 0.455 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000408051814 296556801 /nfs/dbraw/zinc/55/68/01/296556801.db2.gz MAXKFECMYJHPFD-GHMZBOCLSA-N 0 0 309.453 0.871 10 0 DCAERN COc1ccccc1[C@H](CO)NC(=O)COc1cnn(C)c1 ZINC000578767987 397482765 /nfs/dbraw/zinc/48/27/65/397482765.db2.gz KINOKBDWIHLBPS-ZDUSSCGKSA-N 0 0 305.334 0.657 10 0 DCAERN O=C1CN(C2CCC2)C(=O)N1C[C@@H]1CCCCS1(=O)=O ZINC000579790516 397592683 /nfs/dbraw/zinc/59/26/83/397592683.db2.gz YAWSXMZYNOGOEF-NSHDSACASA-N 0 0 300.380 0.770 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000579905140 397596903 /nfs/dbraw/zinc/59/69/03/397596903.db2.gz YQDDCGZFDYGJTH-QXEWZRGKSA-N 0 0 317.349 0.847 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cn2cccnc2n1)C1CC1 ZINC000603477439 397613422 /nfs/dbraw/zinc/61/34/22/397613422.db2.gz CKZMUDCLMCXRLF-JTQLQIEISA-N 0 0 322.390 0.767 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000603490269 397614151 /nfs/dbraw/zinc/61/41/51/397614151.db2.gz RZVGYGVRRKCQTO-SECBINFHSA-N 0 0 319.814 0.721 10 0 DCAERN COCCN1C[C@H](C(=O)Nc2ccc3nccn3c2)CC1=O ZINC000603885049 397625336 /nfs/dbraw/zinc/62/53/36/397625336.db2.gz OJENGEOYTYAJBA-LLVKDONJSA-N 0 0 302.334 0.768 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063694 397659974 /nfs/dbraw/zinc/65/99/74/397659974.db2.gz RUOUGQFOWZFDCW-ONGXEEELSA-N 0 0 301.346 0.683 10 0 DCAERN CCc1n[nH]cc1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000608155058 397718509 /nfs/dbraw/zinc/71/85/09/397718509.db2.gz RTXQBVAUJBADNT-UHFFFAOYSA-N 0 0 302.334 0.766 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000607974109 397711196 /nfs/dbraw/zinc/71/11/96/397711196.db2.gz KRFLBUJKTKPBNM-CYBMUJFWSA-N 0 0 321.377 0.251 10 0 DCAERN CSC[C@H](C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000609904467 397797312 /nfs/dbraw/zinc/79/73/12/397797312.db2.gz VDYXIVMXQDRDTC-JTQLQIEISA-N 0 0 309.457 0.463 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000366179515 304352251 /nfs/dbraw/zinc/35/22/51/304352251.db2.gz PUEQRGRAHYWZSA-KGLIPLIRSA-N 0 0 315.373 0.602 10 0 DCAERN CCOCCNC(=O)CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000247103722 286095166 /nfs/dbraw/zinc/09/51/66/286095166.db2.gz ZQFHXJKJIOSDAJ-IHRRRGAJSA-N 0 0 312.410 0.945 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000407989166 286119533 /nfs/dbraw/zinc/11/95/33/286119533.db2.gz GCXWYNVQYNICQQ-FRRDWIJNSA-N 0 0 307.412 0.621 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000376604068 292368993 /nfs/dbraw/zinc/36/89/93/292368993.db2.gz KXVAFBBYMRJFJO-GHMZBOCLSA-N 0 0 309.384 0.005 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)NCc1ccnn1C ZINC000041880618 157992212 /nfs/dbraw/zinc/99/22/12/157992212.db2.gz CFDCQPPEODNQOY-UHFFFAOYSA-N 0 0 301.350 0.741 10 0 DCAERN CCOC(=O)CCN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000044473948 157997320 /nfs/dbraw/zinc/99/73/20/157997320.db2.gz QMKCKGIKBOILJP-PHIMTYICSA-N 0 0 308.400 0.225 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCCCN1CCCC1=O ZINC000053494110 158017956 /nfs/dbraw/zinc/01/79/56/158017956.db2.gz XASMSAICLUUWNZ-UHFFFAOYSA-N 0 0 312.414 0.555 10 0 DCAERN CN(C)C(=O)c1ccc(NC(=O)CN2CCNC(=O)CC2)cc1 ZINC000054258107 158020124 /nfs/dbraw/zinc/02/01/24/158020124.db2.gz WLNKCOHHJKJHLE-UHFFFAOYSA-N 0 0 318.377 0.149 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)CN2CCNC(=O)CC2)c1 ZINC000054257447 158020392 /nfs/dbraw/zinc/02/03/92/158020392.db2.gz RQRFVLWKXXKFLB-UHFFFAOYSA-N 0 0 304.350 0.405 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000055143012 158021936 /nfs/dbraw/zinc/02/19/36/158021936.db2.gz KKUGLVGOXOWURN-VXGBXAGGSA-N 0 0 316.423 0.279 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000055071285 158022102 /nfs/dbraw/zinc/02/21/02/158022102.db2.gz OYVHCMWIRZCOTP-LBPRGKRZSA-N 0 0 312.414 0.409 10 0 DCAERN Cn1nccc1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000057155721 158025732 /nfs/dbraw/zinc/02/57/32/158025732.db2.gz XCSQUTFPVXBPLR-UHFFFAOYSA-N 0 0 308.288 0.745 10 0 DCAERN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCNC(=O)CC1 ZINC000058878897 158027375 /nfs/dbraw/zinc/02/73/75/158027375.db2.gz VQCNISQAQJVBBS-UHFFFAOYSA-N 0 0 319.752 0.883 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000061145618 158027839 /nfs/dbraw/zinc/02/78/39/158027839.db2.gz QVNVNRZCUOSJTJ-UHFFFAOYSA-N 0 0 318.439 0.989 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NCC(F)(F)F ZINC000063862398 158033401 /nfs/dbraw/zinc/03/34/01/158033401.db2.gz AAWPEFYUBNGHJA-UHFFFAOYSA-N 0 0 302.299 0.996 10 0 DCAERN CN(CCCOc1ccccc1)C(=O)CN1CCNC(=O)CC1 ZINC000065954665 158034478 /nfs/dbraw/zinc/03/44/78/158034478.db2.gz HAEGXAUAAFFGQE-UHFFFAOYSA-N 0 0 319.405 0.736 10 0 DCAERN COCCOCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000067832748 158040824 /nfs/dbraw/zinc/04/08/24/158040824.db2.gz PECNFWWTCDZHTC-UHFFFAOYSA-N 0 0 305.334 0.176 10 0 DCAERN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCNC(=O)CC1 ZINC000068334233 158041625 /nfs/dbraw/zinc/04/16/25/158041625.db2.gz ZCPRNRPZMDKCIL-CQSZACIVSA-N 0 0 303.406 0.864 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)CC3)CC2=O)cc1 ZINC000068257139 158041682 /nfs/dbraw/zinc/04/16/82/158041682.db2.gz YJJLZBSSWVBGQR-ZDUSSCGKSA-N 0 0 315.373 0.696 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000068257228 158041685 /nfs/dbraw/zinc/04/16/85/158041685.db2.gz ASANAHBYDMICDC-LBPRGKRZSA-N 0 0 309.410 0.620 10 0 DCAERN CN(CC(=O)NCCCc1cccc(F)c1)S(C)(=O)=O ZINC000068179978 158042158 /nfs/dbraw/zinc/04/21/58/158042158.db2.gz WCRJGRIVOBNFEO-UHFFFAOYSA-N 0 0 302.371 0.766 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000075530385 158062536 /nfs/dbraw/zinc/06/25/36/158062536.db2.gz PKNUKFUTPGDODI-JUKMUDQWSA-N 0 0 313.357 0.905 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CCC[C@H](O)C1 ZINC000077718061 158069268 /nfs/dbraw/zinc/06/92/68/158069268.db2.gz FJFLFHNVOAQBKI-LBPRGKRZSA-N 0 0 316.317 0.658 10 0 DCAERN COCCn1cc(NS(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000078237915 158071506 /nfs/dbraw/zinc/07/15/06/158071506.db2.gz WXJLURUBDQEBOW-NSHDSACASA-N 0 0 302.400 0.918 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)CC(=O)NC1CCCCC1 ZINC000078883215 158075774 /nfs/dbraw/zinc/07/57/74/158075774.db2.gz YZYFMFRGCJQGHU-JTQLQIEISA-N 0 0 305.396 0.659 10 0 DCAERN CC(C)C[C@H](C)S(=O)(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000080613808 158081231 /nfs/dbraw/zinc/08/12/31/158081231.db2.gz LQNUUPUWHXTCBF-NSHDSACASA-N 0 0 313.423 0.903 10 0 DCAERN Cn1cc(N2CCN(C(=O)NC3CCC(O)CC3)CC2)cn1 ZINC000080626604 158081316 /nfs/dbraw/zinc/08/13/16/158081316.db2.gz DYMISDOXKPQPMU-UHFFFAOYSA-N 0 0 307.398 0.555 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083734036 158089217 /nfs/dbraw/zinc/08/92/17/158089217.db2.gz YBPQCVHKCJZIKI-INTQDDNPSA-N 0 0 313.427 0.833 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000088196548 158093516 /nfs/dbraw/zinc/09/35/16/158093516.db2.gz BSWTXBLZMKJULZ-JTQLQIEISA-N 0 0 314.411 0.616 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)[C@@H](C)COC ZINC000088787126 158095870 /nfs/dbraw/zinc/09/58/70/158095870.db2.gz NASMHUBRVYPDOR-VHSXEESVSA-N 0 0 302.400 0.630 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CN2CC(O)(C3CC3)C2)c1 ZINC000089679225 158098381 /nfs/dbraw/zinc/09/83/81/158098381.db2.gz XRLHSBJRFGGIBN-UHFFFAOYSA-N 0 0 310.419 0.894 10 0 DCAERN CC(=O)N[C@H](C)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990668 158100107 /nfs/dbraw/zinc/10/01/07/158100107.db2.gz DZPZQAZHRMGJDD-RXMQYKEDSA-N 0 0 302.128 0.601 10 0 DCAERN CC[C@H]1CCCCN1C(=O)CN1CCn2c(nn(C)c2=O)C1 ZINC000090680454 158104819 /nfs/dbraw/zinc/10/48/19/158104819.db2.gz KROCCJUACIVELO-LBPRGKRZSA-N 0 0 307.398 0.189 10 0 DCAERN Cn1cccc(C(=O)N2CCC(Oc3cnccn3)CC2)c1=O ZINC000090677861 158105271 /nfs/dbraw/zinc/10/52/71/158105271.db2.gz QHMPEZVXLPJWNR-UHFFFAOYSA-N 0 0 314.345 0.859 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCc3ccc(=O)[nH]c3)cnc12 ZINC000091057014 158106776 /nfs/dbraw/zinc/10/67/76/158106776.db2.gz DMCQSKUFMKKUSV-UHFFFAOYSA-N 0 0 310.313 0.621 10 0 DCAERN CSC[C@H](CCO)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074108 158106840 /nfs/dbraw/zinc/10/68/40/158106840.db2.gz GILCJRKEQNWHML-NSHDSACASA-N 0 0 321.402 0.847 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)NCc3ncn(C)n3)CCO2)o1 ZINC000091774301 158109678 /nfs/dbraw/zinc/10/96/78/158109678.db2.gz GYEDXMVCLSIQRJ-LBPRGKRZSA-N 0 0 305.338 1.000 10 0 DCAERN Cc1cc(C)n2c(CN3CCN4C(=O)NC[C@@H]4C3)cnc2n1 ZINC000091864697 158110627 /nfs/dbraw/zinc/11/06/27/158110627.db2.gz NQXVOCMSIJIUPL-GFCCVEGCSA-N 0 0 300.366 0.556 10 0 DCAERN CC(C)(C)c1noc(CCCC(=O)N2CCOC[C@@H]2C(N)=O)n1 ZINC000091785727 158110686 /nfs/dbraw/zinc/11/06/86/158110686.db2.gz OMXAZOKCYDJZLY-SNVBAGLBSA-N 0 0 324.381 0.403 10 0 DCAERN Cc1ccc(NC(=O)NCc2ncn(C)n2)cc1S(C)(=O)=O ZINC000092098201 158110974 /nfs/dbraw/zinc/11/09/74/158110974.db2.gz WQGIZKGFRCEIAI-UHFFFAOYSA-N 0 0 323.378 0.849 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000092228581 158112737 /nfs/dbraw/zinc/11/27/37/158112737.db2.gz LNLWYCGHCJBAAD-CYBMUJFWSA-N 0 0 321.768 0.607 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092552378 158115856 /nfs/dbraw/zinc/11/58/56/158115856.db2.gz XLSRVNIRBARTAD-UHFFFAOYSA-N 0 0 317.349 0.426 10 0 DCAERN COC[C@H](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000094794796 158124364 /nfs/dbraw/zinc/12/43/64/158124364.db2.gz BZASRDZABOTSIN-SNVBAGLBSA-N 0 0 300.380 0.623 10 0 DCAERN COCCN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@@H]1C ZINC000109320180 158136732 /nfs/dbraw/zinc/13/67/32/158136732.db2.gz SKSAIVAOSBNUPY-JTQLQIEISA-N 0 0 312.801 0.991 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)no1 ZINC000110946903 158138131 /nfs/dbraw/zinc/13/81/31/158138131.db2.gz CCJCLKPQDUDDPP-UHFFFAOYSA-N 0 0 317.349 0.827 10 0 DCAERN CC(C)c1cc(C(=O)N(CC(N)=O)CC(N)=O)nn1C(C)(C)C ZINC000113167244 158145105 /nfs/dbraw/zinc/14/51/05/158145105.db2.gz DIRJLCVYBHDACY-UHFFFAOYSA-N 0 0 323.397 0.174 10 0 DCAERN CCN1CCC[C@H](NC(=O)N[C@@H](C)CS(=O)(=O)CC)C1 ZINC000113600803 158149414 /nfs/dbraw/zinc/14/94/14/158149414.db2.gz FDURLZMLQWYKKW-RYUDHWBXSA-N 0 0 305.444 0.593 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114442687 158153400 /nfs/dbraw/zinc/15/34/00/158153400.db2.gz OJPMLOMIYVFTRU-JQWIXIFHSA-N 0 0 304.350 0.355 10 0 DCAERN Cc1nc(CN2CCN(Cc3nnnn3C(C)C)CC2)no1 ZINC000114465693 158154633 /nfs/dbraw/zinc/15/46/33/158154633.db2.gz RUDORRFNPCDDTK-UHFFFAOYSA-N 0 0 306.374 0.263 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CC2 ZINC000114864679 158158968 /nfs/dbraw/zinc/15/89/68/158158968.db2.gz XIYFWCGNIDFSKF-WDEREUQCSA-N 0 0 320.397 0.062 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCOC)CC2 ZINC000114874975 158159377 /nfs/dbraw/zinc/15/93/77/158159377.db2.gz CENHTVKDSCNOLQ-JTQLQIEISA-N 0 0 302.400 0.111 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)cn1 ZINC000116229181 158164756 /nfs/dbraw/zinc/16/47/56/158164756.db2.gz UEOXNHQSFIYYRU-NWDGAFQWSA-N 0 0 305.382 0.527 10 0 DCAERN COC(=O)NCC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116667416 158165272 /nfs/dbraw/zinc/16/52/72/158165272.db2.gz DXZIJTZRYDTGCA-UHFFFAOYSA-N 0 0 306.366 0.831 10 0 DCAERN Cc1ncsc1CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116955675 158168660 /nfs/dbraw/zinc/16/86/60/158168660.db2.gz MLMIESHVCPNEKS-SECBINFHSA-N 0 0 318.424 0.285 10 0 DCAERN Cc1cnn(CCNC(=O)c2cnc3sccn3c2=O)c1 ZINC000117809274 158173275 /nfs/dbraw/zinc/17/32/75/158173275.db2.gz BRPQUBRXVDDTCL-UHFFFAOYSA-N 0 0 303.347 0.691 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NC(C2CC2)C2CC2)C1 ZINC000117962438 158174609 /nfs/dbraw/zinc/17/46/09/158174609.db2.gz YSJPPDMFYCKTRZ-NSHDSACASA-N 0 0 301.412 0.508 10 0 DCAERN C[C@@H](O)CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000118721426 158177521 /nfs/dbraw/zinc/17/75/21/158177521.db2.gz FEBMCTSBFCGHGP-LLVKDONJSA-N 0 0 312.391 0.727 10 0 DCAERN CC[C@H](COC)NC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000118956975 158181456 /nfs/dbraw/zinc/18/14/56/158181456.db2.gz FDIKRWGMSQNFIL-GHMZBOCLSA-N 0 0 311.386 0.984 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(F)ccc1F ZINC000119288495 158185621 /nfs/dbraw/zinc/18/56/21/158185621.db2.gz KKIUPAIOFBYAKC-LLVKDONJSA-N 0 0 315.320 0.779 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NC[C@]1(CCO)CCOC1 ZINC000119477145 158187798 /nfs/dbraw/zinc/18/77/98/158187798.db2.gz JEZHQUZSIOCIJQ-INIZCTEOSA-N 0 0 306.362 0.322 10 0 DCAERN O=C(NCCOc1ccc(Cl)cn1)N1CCNC(=O)CC1 ZINC000119779700 158190756 /nfs/dbraw/zinc/19/07/56/158190756.db2.gz LZDHGADDOMKJRJ-UHFFFAOYSA-N 0 0 312.757 0.645 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)on1 ZINC000119989834 158191779 /nfs/dbraw/zinc/19/17/79/158191779.db2.gz DIFBFTXTYWHJJY-LLVKDONJSA-N 0 0 313.379 0.623 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000120182601 158195585 /nfs/dbraw/zinc/19/55/85/158195585.db2.gz DGQCZWNJVPNMIO-OLZOCXBDSA-N 0 0 306.428 0.342 10 0 DCAERN Cc1cccc([C@@H](C)C(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000120653995 158202209 /nfs/dbraw/zinc/20/22/09/158202209.db2.gz VMACGQPHHYKDIJ-GFCCVEGCSA-N 0 0 311.407 0.446 10 0 DCAERN CCc1nc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cs1 ZINC000120748388 158203341 /nfs/dbraw/zinc/20/33/41/158203341.db2.gz UMLMLBZDVJQIGM-NXEZZACHSA-N 0 0 312.395 0.538 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CCC[C@H]1CO ZINC000120978911 158206883 /nfs/dbraw/zinc/20/68/83/158206883.db2.gz UTLGENXFLBJFAB-LBPRGKRZSA-N 0 0 316.317 0.658 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(c3cccnn3)CC2)CCC1 ZINC000121484111 158211881 /nfs/dbraw/zinc/21/18/81/158211881.db2.gz FUTJUFJCZSSSBF-UHFFFAOYSA-N 0 0 318.377 0.859 10 0 DCAERN Cc1nnc([C@@H]2CN(CCCS(=O)(=O)C(C)C)CCO2)[nH]1 ZINC000121559425 158212076 /nfs/dbraw/zinc/21/20/76/158212076.db2.gz MSYCDHRWQZEKMA-LBPRGKRZSA-N 0 0 316.427 0.700 10 0 DCAERN O=C(CN1CCCC[C@@H]1c1nc[nH]n1)NCC(=O)N1CCCC1 ZINC000121757470 158214123 /nfs/dbraw/zinc/21/41/23/158214123.db2.gz DPPHIIFJDMOZLR-GFCCVEGCSA-N 0 0 320.397 0.070 10 0 DCAERN O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCc2n[nH]cc2C1 ZINC000122024093 158217226 /nfs/dbraw/zinc/21/72/26/158217226.db2.gz LYEBUSUYRDKEPM-KBPBESRZSA-N 0 0 321.425 0.413 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C ZINC000122096582 158218935 /nfs/dbraw/zinc/21/89/35/158218935.db2.gz ANLVOPRLFXOKCK-AWEZNQCLSA-N 0 0 307.398 0.345 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCS(=O)(=O)C(C)(C)C1 ZINC000122203739 158219252 /nfs/dbraw/zinc/21/92/52/158219252.db2.gz MVDNABYKXWAIAR-UHFFFAOYSA-N 0 0 311.469 0.709 10 0 DCAERN COCCCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000122236661 158220216 /nfs/dbraw/zinc/22/02/16/158220216.db2.gz HVKNNNPFQUYJEZ-AWEZNQCLSA-N 0 0 312.410 0.901 10 0 DCAERN Cc1cc(N2C[C@H](C(=O)N3CC(CO)C3)CC2=O)ccc1F ZINC000122338748 158220736 /nfs/dbraw/zinc/22/07/36/158220736.db2.gz YOKVGQZGIIUFIZ-GFCCVEGCSA-N 0 0 306.337 0.938 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122569553 158222078 /nfs/dbraw/zinc/22/20/78/158222078.db2.gz CWULVFBBXUJJHY-AAEUAGOBSA-N 0 0 305.382 0.428 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[C@H](O)CC ZINC000122778680 158223652 /nfs/dbraw/zinc/22/36/52/158223652.db2.gz YYXIOHOKPGRSQZ-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN NC(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000122792737 158224400 /nfs/dbraw/zinc/22/44/00/158224400.db2.gz HNYSKDOILWDIGX-UHFFFAOYSA-N 0 0 322.324 0.952 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCc1ccc(OC)cc1Cl ZINC000123070517 158226280 /nfs/dbraw/zinc/22/62/80/158226280.db2.gz FYOFVPCRESJGSF-UHFFFAOYSA-N 0 0 320.798 0.557 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000123336458 158229167 /nfs/dbraw/zinc/22/91/67/158229167.db2.gz NBOAYSBFJGFINF-RYUDHWBXSA-N 0 0 305.382 0.574 10 0 DCAERN Cn1c2ccc(F)cc2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000123413578 158230697 /nfs/dbraw/zinc/23/06/97/158230697.db2.gz GZDHUIMFMQHLDU-QMMMGPOBSA-N 0 0 305.269 0.249 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000123817261 158234420 /nfs/dbraw/zinc/23/44/20/158234420.db2.gz PAQJOXIWJUVMGG-JSGCOSHPSA-N 0 0 318.373 0.980 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000124318714 158241326 /nfs/dbraw/zinc/24/13/26/158241326.db2.gz CDUGODSBEGPLMB-JSGCOSHPSA-N 0 0 312.410 0.824 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000125018860 158249843 /nfs/dbraw/zinc/24/98/43/158249843.db2.gz YWMIBOYPHMLDIM-LLVKDONJSA-N 0 0 308.386 0.054 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000125264837 158253998 /nfs/dbraw/zinc/25/39/98/158253998.db2.gz YJZBGWGMVWPIRM-NEPJUHHUSA-N 0 0 317.411 0.142 10 0 DCAERN COC(=O)[C@H](C)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000125712345 158259352 /nfs/dbraw/zinc/25/93/52/158259352.db2.gz NJKMMAJGESMWGM-SNVBAGLBSA-N 0 0 305.334 0.597 10 0 DCAERN Cc1nc(C(=O)N2CCN(c3cnn(C)c3)CC2)c(=O)[nH]c1C ZINC000126767436 158267175 /nfs/dbraw/zinc/26/71/75/158267175.db2.gz LDWKFWFWDKWIOH-UHFFFAOYSA-N 0 0 316.365 0.083 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cnc(C(F)(F)F)nc1 ZINC000127083625 158270017 /nfs/dbraw/zinc/27/00/17/158270017.db2.gz KRMWSBDVAYMJRE-QMMMGPOBSA-N 0 0 312.255 0.832 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127326623 158273191 /nfs/dbraw/zinc/27/31/91/158273191.db2.gz QOGQXWGDIFKIFN-LSDHHAIUSA-N 0 0 312.410 0.552 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@H](c2cccs2)C1 ZINC000127937787 158276801 /nfs/dbraw/zinc/27/68/01/158276801.db2.gz IIHAVXCWAHERSJ-NSHDSACASA-N 0 0 318.420 0.698 10 0 DCAERN CN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CCC(CO)CC1 ZINC000128833436 158283517 /nfs/dbraw/zinc/28/35/17/158283517.db2.gz APFXUXLKFWYQKZ-OTTFEQOBSA-N 0 0 307.398 0.785 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000129052130 158285276 /nfs/dbraw/zinc/28/52/76/158285276.db2.gz FTMYMZIMXVFXNP-VXGBXAGGSA-N 0 0 313.361 0.971 10 0 DCAERN COCc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000129079534 158285344 /nfs/dbraw/zinc/28/53/44/158285344.db2.gz AOJLBSZMYXTSQI-HNNXBMFYSA-N 0 0 308.378 0.256 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cn1 ZINC000130735965 158297838 /nfs/dbraw/zinc/29/78/38/158297838.db2.gz ZVAHPRQLISSQRP-VXGBXAGGSA-N 0 0 305.382 0.031 10 0 DCAERN C[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132277209 158309235 /nfs/dbraw/zinc/30/92/35/158309235.db2.gz VDTMEVHADGWBHK-GDBMZVCRSA-N 0 0 306.406 0.675 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCCC(=O)NC)CC2 ZINC000132754472 158314469 /nfs/dbraw/zinc/31/44/69/158314469.db2.gz HWGGUBCYTBCMOY-LLVKDONJSA-N 0 0 322.413 0.323 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c12 ZINC000133255441 158317038 /nfs/dbraw/zinc/31/70/38/158317038.db2.gz MLOMEXFJMWMXLS-LLVKDONJSA-N 0 0 315.377 0.936 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000133274477 158318412 /nfs/dbraw/zinc/31/84/12/158318412.db2.gz VDUUMQMSAXADMX-SNVBAGLBSA-N 0 0 307.350 0.539 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)nc1C ZINC000133554029 158320557 /nfs/dbraw/zinc/32/05/57/158320557.db2.gz FHDLZGUYWPCEKE-LLVKDONJSA-N 0 0 315.395 0.785 10 0 DCAERN O=C(CNC(=O)N1CC[C@H]2OCCC[C@H]2C1)NCC(F)(F)F ZINC000133753668 158321442 /nfs/dbraw/zinc/32/14/42/158321442.db2.gz AJHYJDVIEMHVEG-VHSXEESVSA-N 0 0 323.315 0.875 10 0 DCAERN Cc1cncc(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000134478087 158327101 /nfs/dbraw/zinc/32/71/01/158327101.db2.gz PIUGCLODIPECHV-GFCCVEGCSA-N 0 0 312.395 0.223 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000134819467 158331318 /nfs/dbraw/zinc/33/13/18/158331318.db2.gz XGQJTZZMWMJLTA-RISCZKNCSA-N 0 0 324.425 0.761 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000135143694 158333472 /nfs/dbraw/zinc/33/34/72/158333472.db2.gz SONCQCKNMCMIQG-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000135080354 158333926 /nfs/dbraw/zinc/33/39/26/158333926.db2.gz GUTMABIRHSGEQT-CHWSQXEVSA-N 0 0 310.398 0.307 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCN(C3CC3)CC2)c1CC ZINC000135076597 158334352 /nfs/dbraw/zinc/33/43/52/158334352.db2.gz XTUXDWZLQHVDOT-UHFFFAOYSA-N 0 0 304.394 0.815 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1nnc2n1CCCC2 ZINC000135333392 158335043 /nfs/dbraw/zinc/33/50/43/158335043.db2.gz ADIVLFWDNHGLQF-MRVPVSSYSA-N 0 0 302.338 0.532 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C(N)=O)C(C)C)CC2 ZINC000135296192 158335314 /nfs/dbraw/zinc/33/53/14/158335314.db2.gz XZPXJICLHHWJAR-PWSUYJOCSA-N 0 0 322.413 0.525 10 0 DCAERN CN1C[C@H](C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1=O ZINC000135419409 158336112 /nfs/dbraw/zinc/33/61/12/158336112.db2.gz ADOXYJOYOJFYAM-TZMCWYRMSA-N 0 0 304.346 0.770 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574100 158338984 /nfs/dbraw/zinc/33/89/84/158338984.db2.gz MMKXEVFBASNJKK-CHWSQXEVSA-N 0 0 304.394 0.809 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000135752529 158340152 /nfs/dbraw/zinc/34/01/52/158340152.db2.gz OEGXNWVHWAOOKB-OCCSQVGLSA-N 0 0 318.377 0.852 10 0 DCAERN CCOCCCNC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000136251647 158342521 /nfs/dbraw/zinc/34/25/21/158342521.db2.gz YLHUZEKCFRKTCJ-LLVKDONJSA-N 0 0 311.386 0.877 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000166887160 158367336 /nfs/dbraw/zinc/36/73/36/158367336.db2.gz PFZVTSRYRPDNAK-GFCCVEGCSA-N 0 0 315.333 0.238 10 0 DCAERN Cc1ccc(CCC(=O)NCCNS(=O)(=O)N(C)C)cc1 ZINC000169918454 158373253 /nfs/dbraw/zinc/37/32/53/158373253.db2.gz JXDNTYUGDYEGQX-UHFFFAOYSA-N 0 0 313.423 0.440 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)C[C@H]1CCCCO1 ZINC000170656763 158374323 /nfs/dbraw/zinc/37/43/23/158374323.db2.gz XIWZRYLWSDWEBS-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)NCCCN2CCCC2=O)C1 ZINC000170315935 158374725 /nfs/dbraw/zinc/37/47/25/158374725.db2.gz HKSFKPKCXNDDFB-CHWSQXEVSA-N 0 0 309.410 0.620 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)C(C)(C)OC)CC1 ZINC000170960571 158378775 /nfs/dbraw/zinc/37/87/75/158378775.db2.gz XSDAVEPBNCIZLK-UHFFFAOYSA-N 0 0 306.428 0.732 10 0 DCAERN Cc1occc1C(=O)NC1CCN([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000171122637 158381376 /nfs/dbraw/zinc/38/13/76/158381376.db2.gz TWXPNGPNOOLFRI-CYBMUJFWSA-N 0 0 319.361 0.540 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000171308653 158381582 /nfs/dbraw/zinc/38/15/82/158381582.db2.gz WKYBQMMDNHMFRN-MRVPVSSYSA-N 0 0 310.335 0.613 10 0 DCAERN NC(=O)CSCC(=O)NCCOc1ccc(F)cc1F ZINC000171623251 158384164 /nfs/dbraw/zinc/38/41/64/158384164.db2.gz YXJRRJFOJLFCCW-UHFFFAOYSA-N 0 0 304.318 0.678 10 0 DCAERN COc1ccc(-c2nnc(CNC(=O)[C@H]3CNC(=O)C3)[nH]2)cc1 ZINC000171595530 158384728 /nfs/dbraw/zinc/38/47/28/158384728.db2.gz AGIILMOAHORLQI-SNVBAGLBSA-N 0 0 315.333 0.233 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCO1 ZINC000171670472 158385604 /nfs/dbraw/zinc/38/56/04/158385604.db2.gz AKWWCYCHPARDDP-ZDUSSCGKSA-N 0 0 304.394 0.694 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](OC)C1)CC2 ZINC000172041548 158390068 /nfs/dbraw/zinc/39/00/68/158390068.db2.gz ZNJMUUZCTFIKFU-NEPJUHHUSA-N 0 0 307.398 0.976 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000172081373 158390383 /nfs/dbraw/zinc/39/03/83/158390383.db2.gz FSTJJOZPFBCNTN-CYBMUJFWSA-N 0 0 323.397 0.880 10 0 DCAERN O=C(CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)N1CCCCC1 ZINC000172121625 158391473 /nfs/dbraw/zinc/39/14/73/158391473.db2.gz RFHXEMIVWLTTMR-NNQSOWQGSA-N 0 0 309.410 0.801 10 0 DCAERN CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172311142 158393005 /nfs/dbraw/zinc/39/30/05/158393005.db2.gz IEAMAJOGIWHROV-CHWSQXEVSA-N 0 0 307.398 0.906 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCc1ccc(O)c(F)c1 ZINC000172405237 158393915 /nfs/dbraw/zinc/39/39/15/158393915.db2.gz YOEQWYMSXCDIDC-UHFFFAOYSA-N 0 0 303.293 0.973 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000172423594 158394181 /nfs/dbraw/zinc/39/41/81/158394181.db2.gz QLUQIXWPXHFWDV-ZWNOBZJWSA-N 0 0 321.352 0.716 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)CSCC(=O)N1CCOCC1 ZINC000172578890 158395668 /nfs/dbraw/zinc/39/56/68/158395668.db2.gz XCWSIEBMUZADGO-LBPRGKRZSA-N 0 0 302.440 0.987 10 0 DCAERN CC(C)[C@H](C)CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000172578613 158395785 /nfs/dbraw/zinc/39/57/85/158395785.db2.gz KMCDMTNVDWGRGZ-SECBINFHSA-N 0 0 321.381 0.291 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172551352 158395882 /nfs/dbraw/zinc/39/58/82/158395882.db2.gz HNSWIPMSGCDMLB-STQMWFEESA-N 0 0 321.425 0.923 10 0 DCAERN CN1CCN(C(=O)NCC[C@H]2c3ccccc3NC2=O)CC1=O ZINC000172594537 158396313 /nfs/dbraw/zinc/39/63/13/158396313.db2.gz AQRPIRDTLJHULV-LBPRGKRZSA-N 0 0 316.361 0.596 10 0 DCAERN O=C(CCOCC(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747588 158398150 /nfs/dbraw/zinc/39/81/50/158398150.db2.gz SPXHXMRJFJYZPK-LLVKDONJSA-N 0 0 310.316 0.889 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)Cc2ccccc2)cn1 ZINC000172776238 158399301 /nfs/dbraw/zinc/39/93/01/158399301.db2.gz ZXRRLCZXNJOXPM-UHFFFAOYSA-N 0 0 316.361 0.827 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000172766191 158399702 /nfs/dbraw/zinc/39/97/02/158399702.db2.gz PHQPNFNROLRITD-CABCVRRESA-N 0 0 309.410 0.178 10 0 DCAERN COCCCS(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173417383 158405572 /nfs/dbraw/zinc/40/55/72/158405572.db2.gz VVVSLRMDUTYEPS-LBPRGKRZSA-N 0 0 316.427 0.345 10 0 DCAERN O=C(C1=CCCCO1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000174497548 158417725 /nfs/dbraw/zinc/41/77/25/158417725.db2.gz DLNXUSIIRAQNOA-ZDUSSCGKSA-N 0 0 308.378 0.778 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000177652943 158448833 /nfs/dbraw/zinc/44/88/33/158448833.db2.gz LDXJOCGJFOVQJP-JTQLQIEISA-N 0 0 302.338 0.374 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000178017204 158452060 /nfs/dbraw/zinc/45/20/60/158452060.db2.gz HASUNUGMTMMAIA-ZDUSSCGKSA-N 0 0 321.425 0.890 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000178678368 158461150 /nfs/dbraw/zinc/46/11/50/158461150.db2.gz YJQHSBVPPZKSOU-VIFPVBQESA-N 0 0 308.363 0.256 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000178929746 158466925 /nfs/dbraw/zinc/46/69/25/158466925.db2.gz CPJRDJFOUVOTMS-LBPRGKRZSA-N 0 0 318.370 0.883 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000179297050 158470903 /nfs/dbraw/zinc/47/09/03/158470903.db2.gz WVAQJZBRRHAHCU-DGCLKSJQSA-N 0 0 304.412 0.079 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000181140281 158483240 /nfs/dbraw/zinc/48/32/40/158483240.db2.gz DLVSVANMNHHBOJ-ZDUSSCGKSA-N 0 0 315.377 0.983 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3CC(=O)C3)C2=O)n(C)n1 ZINC000183554805 158499802 /nfs/dbraw/zinc/49/98/02/158499802.db2.gz MYANALPEGAAALK-LBPRGKRZSA-N 0 0 304.350 0.319 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)NCC(F)(F)CO ZINC000184273277 158506286 /nfs/dbraw/zinc/50/62/86/158506286.db2.gz ASNQUDRHRHFNMJ-UHFFFAOYSA-N 0 0 311.292 0.694 10 0 DCAERN CCN(C)C(=O)CNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000184489059 158508780 /nfs/dbraw/zinc/50/87/80/158508780.db2.gz SLARXAFFEVUQEP-AWEZNQCLSA-N 0 0 305.378 0.848 10 0 DCAERN CNC(=O)CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000184524855 158508836 /nfs/dbraw/zinc/50/88/36/158508836.db2.gz ZBGOUJNGBRHQFS-LBPRGKRZSA-N 0 0 306.362 0.960 10 0 DCAERN Cc1cc(NC(=O)CN2CCOC[C@H]2c2nc(C)no2)on1 ZINC000185071339 158513887 /nfs/dbraw/zinc/51/38/87/158513887.db2.gz XTGYJEYNHRBBEO-JTQLQIEISA-N 0 0 307.310 0.686 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)CN2CCCC2=O)C12CCOCC2 ZINC000187076860 158536462 /nfs/dbraw/zinc/53/64/62/158536462.db2.gz KPCZPKVZTXXHAC-OLZOCXBDSA-N 0 0 310.394 0.699 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NOC[C@@H]3CCOC3)C2)cn1 ZINC000188062830 158542522 /nfs/dbraw/zinc/54/25/22/158542522.db2.gz UQEYVFQEEKBTKZ-OLZOCXBDSA-N 0 0 323.397 0.656 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000189145046 158550522 /nfs/dbraw/zinc/55/05/22/158550522.db2.gz MVOMXJPBDOPTQS-WDBKCZKBSA-N 0 0 324.352 0.691 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOc1ccccc1 ZINC000189857181 158556121 /nfs/dbraw/zinc/55/61/21/158556121.db2.gz DGVFTRHKZULHRN-UKRRQHHQSA-N 0 0 306.362 0.553 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CN(C)S(C)(=O)=O ZINC000189952062 158556590 /nfs/dbraw/zinc/55/65/90/158556590.db2.gz HTLOKNHXAUKKDY-LBPRGKRZSA-N 0 0 312.391 0.826 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190383234 158560435 /nfs/dbraw/zinc/56/04/35/158560435.db2.gz OFDDWCKGUXSGMX-UHFFFAOYSA-N 0 0 317.436 0.981 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1cnc2c(cnn2C)c1OC ZINC000191574928 158569231 /nfs/dbraw/zinc/56/92/31/158569231.db2.gz BNYLXUBSYCAMIA-SECBINFHSA-N 0 0 319.365 0.574 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000191519698 158569303 /nfs/dbraw/zinc/56/93/03/158569303.db2.gz UNHIGZANNFSZRC-XQHKEYJVSA-N 0 0 307.394 0.864 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccccc1S(C)(=O)=O ZINC000191764377 158570828 /nfs/dbraw/zinc/57/08/28/158570828.db2.gz TYPKIBHIUYNTDJ-SNVBAGLBSA-N 0 0 310.375 0.441 10 0 DCAERN CCN1CN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1=O ZINC000191897702 158572102 /nfs/dbraw/zinc/57/21/02/158572102.db2.gz XCNWABVODIVHLN-UHFFFAOYSA-N 0 0 318.377 0.720 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000247637838 158684282 /nfs/dbraw/zinc/68/42/82/158684282.db2.gz UJUOIJJEYFEQOB-GXTWGEPZSA-N 0 0 324.402 0.975 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCc3c(N)cccc32)CC1 ZINC000261623086 158723578 /nfs/dbraw/zinc/72/35/78/158723578.db2.gz BCNYIZUSLILFCI-UHFFFAOYSA-N 0 0 316.405 0.712 10 0 DCAERN Cn1cnn(-c2ccc(NC(=O)[C@H]3CC(F)(F)CN3)cc2)c1=O ZINC000263157079 158859402 /nfs/dbraw/zinc/85/94/02/158859402.db2.gz DNIHFGHZCLJNBT-LLVKDONJSA-N 0 0 323.303 0.507 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000276445165 158933706 /nfs/dbraw/zinc/93/37/06/158933706.db2.gz FYZZSMZXFBNQBC-CYBMUJFWSA-N 0 0 317.172 0.985 10 0 DCAERN Cc1nsc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328619658 159015852 /nfs/dbraw/zinc/01/58/52/159015852.db2.gz WEWMHJPBIGLPGA-LBPRGKRZSA-N 0 0 307.423 0.732 10 0 DCAERN C[C@H]1CN(c2nnc(-c3cccnc3)n2C)CCS1(=O)=O ZINC000328651993 159017476 /nfs/dbraw/zinc/01/74/76/159017476.db2.gz BRBYTMBLUIWHHW-JTQLQIEISA-N 0 0 307.379 0.500 10 0 DCAERN O=C(C1CC1)[C@H]1CN([C@@H]2CCN(C3CCOCC3)C2=O)CCO1 ZINC000328668777 159018369 /nfs/dbraw/zinc/01/83/69/159018369.db2.gz FJRXOBHOSSMBJF-HUUCEWRRSA-N 0 0 322.405 0.446 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328662885 159018799 /nfs/dbraw/zinc/01/87/99/159018799.db2.gz XPNUFNDKOLMIQX-WDEREUQCSA-N 0 0 302.396 0.921 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(CC(=O)N(C)C3CC3)CCO2)n1 ZINC000328669271 159018938 /nfs/dbraw/zinc/01/89/38/159018938.db2.gz FCUGNRSCFIDBAE-CQSZACIVSA-N 0 0 307.398 0.217 10 0 DCAERN Cc1noc(COCC(=O)N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000328688876 159021369 /nfs/dbraw/zinc/02/13/69/159021369.db2.gz QDSIQGKGVGTDHZ-NSHDSACASA-N 0 0 309.322 0.101 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000328700176 159022226 /nfs/dbraw/zinc/02/22/26/159022226.db2.gz VZSQPDVNMIKUTK-SJLPKXTDSA-N 0 0 318.417 0.870 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@]12CCOC2 ZINC000328708000 159023290 /nfs/dbraw/zinc/02/32/90/159023290.db2.gz MCIJLNKUBYWXTL-BXUZGUMPSA-N 0 0 314.407 0.316 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCCN(C)C3=O)no2)c1 ZINC000328793987 159029972 /nfs/dbraw/zinc/02/99/72/159029972.db2.gz SFIXZVCFHYWGCA-GFCCVEGCSA-N 0 0 317.349 0.578 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000328812387 159031254 /nfs/dbraw/zinc/03/12/54/159031254.db2.gz FPLRAUATZAFEAM-AEJSXWLSSA-N 0 0 303.384 0.021 10 0 DCAERN CN1CCO[C@H]2CN(S(=O)(=O)c3cncc(Cl)c3)C[C@H]21 ZINC000328839888 159032872 /nfs/dbraw/zinc/03/28/72/159032872.db2.gz OALYRDQMLNHAJL-NEPJUHHUSA-N 0 0 317.798 0.439 10 0 DCAERN CN(C(=O)N1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328883903 159038141 /nfs/dbraw/zinc/03/81/41/159038141.db2.gz NNAZIRKELOLLTG-GFCCVEGCSA-N 0 0 301.412 0.005 10 0 DCAERN Cn1cc(CN2CCN(C(=O)[C@@H]3CCCC(=O)N3)CC2)cn1 ZINC000328883714 159038266 /nfs/dbraw/zinc/03/82/66/159038266.db2.gz MJDUUINRGAHQJS-ZDUSSCGKSA-N 0 0 305.382 0.573 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000328908549 159039884 /nfs/dbraw/zinc/03/98/84/159039884.db2.gz DAWJTBZOEXRCTP-UONOGXRCSA-N 0 0 302.378 0.944 10 0 DCAERN Cc1noc([C@@H](NC(=O)c2noc(C)n2)C2CCOCC2)n1 ZINC000328955710 159045857 /nfs/dbraw/zinc/04/58/57/159045857.db2.gz NJLRQQWZERTKAG-JTQLQIEISA-N 0 0 307.310 0.967 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)CSC[C@H]2CCCCO2)C1 ZINC000329026835 159054055 /nfs/dbraw/zinc/05/40/55/159054055.db2.gz OGYNLVYJSPPFSN-YNEHKIRRSA-N 0 0 303.424 0.897 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000329036268 159054314 /nfs/dbraw/zinc/05/43/14/159054314.db2.gz RGRFGJVIFOTOQZ-XUXIUFHCSA-N 0 0 310.394 0.792 10 0 DCAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000329082388 159060215 /nfs/dbraw/zinc/06/02/15/159060215.db2.gz SENCLJYPXBNPQQ-BHAYOYGOSA-N 0 0 301.408 0.849 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@@H]2c2ncnn2C)n1 ZINC000329130144 159065400 /nfs/dbraw/zinc/06/54/00/159065400.db2.gz WRCWTVRKKGWXPN-GFCCVEGCSA-N 0 0 317.349 0.361 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C[C@H](O)Cn1cccn1 ZINC000329150769 159067743 /nfs/dbraw/zinc/06/77/43/159067743.db2.gz RWEKUFXJOATJGM-GJZGRUSLSA-N 0 0 319.409 0.668 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000329163291 159068450 /nfs/dbraw/zinc/06/84/50/159068450.db2.gz GFEIYQOLLUNSII-AALSBFMBSA-N 0 0 324.421 0.510 10 0 DCAERN C[S@](=O)c1nncn1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329240968 159075827 /nfs/dbraw/zinc/07/58/27/159075827.db2.gz NCSGWJPVDYHFOO-FLCAKIMKSA-N 0 0 312.395 0.186 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CCC[C@@](F)(CO)C1 ZINC000329235457 159076089 /nfs/dbraw/zinc/07/60/89/159076089.db2.gz NNFCTWMONAKNSP-LBPRGKRZSA-N 0 0 303.359 0.314 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)O1 ZINC000329248361 159076341 /nfs/dbraw/zinc/07/63/41/159076341.db2.gz WPSMWQUXCKOHHH-SYQHCUMBSA-N 0 0 310.394 0.507 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000329265957 159077343 /nfs/dbraw/zinc/07/73/43/159077343.db2.gz CPAGWXXVILUKKF-NSHDSACASA-N 0 0 311.342 0.838 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000329298713 159080229 /nfs/dbraw/zinc/08/02/29/159080229.db2.gz USPABSYCIDBEPA-WDEREUQCSA-N 0 0 317.411 0.413 10 0 DCAERN C[C@H](C(=O)N1CC[C@H](OCc2ccncc2)C1)N1CCOCC1 ZINC000329310053 159081106 /nfs/dbraw/zinc/08/11/06/159081106.db2.gz FRIGBXIXTLVONQ-ZBFHGGJFSA-N 0 0 319.405 0.920 10 0 DCAERN CC(C)[C@H]1N(C(=O)CCn2ncn(C)c2=O)C[C@@]12CCCO2 ZINC000329329418 159083269 /nfs/dbraw/zinc/08/32/69/159083269.db2.gz KZCHFIXNRBEPHP-HIFRSBDPSA-N 0 0 308.382 0.388 10 0 DCAERN O=C([C@@H]1C[C@]12CCOc1ccccc12)N1C[C@H](O)C[C@@H]1CO ZINC000329356810 159085412 /nfs/dbraw/zinc/08/54/12/159085412.db2.gz HCLRABCMDYECDW-WOKLECCJSA-N 0 0 303.358 0.681 10 0 DCAERN Cc1nc(-c2cccc(C(=O)N(C)[C@@H]3COC[C@H]3O)c2)n[nH]1 ZINC000329395933 159088986 /nfs/dbraw/zinc/08/89/86/159088986.db2.gz UFPYZEFGFMUTGH-CHWSQXEVSA-N 0 0 302.334 0.612 10 0 DCAERN CN(C(=O)[C@@H]1CSCN1S(=O)(=O)CC1CC1)C1CC1 ZINC000329526706 159099790 /nfs/dbraw/zinc/09/97/90/159099790.db2.gz TVYCFVCUNMSUGE-NSHDSACASA-N 0 0 304.437 0.722 10 0 DCAERN Cc1nc(CN2CCN(C(=O)COC[C@H]3CCOC3)CC2)no1 ZINC000329553514 159102273 /nfs/dbraw/zinc/10/22/73/159102273.db2.gz KDHYENCDHAPNGC-ZDUSSCGKSA-N 0 0 324.381 0.075 10 0 DCAERN C[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H](C)C1)N1CCOCC1 ZINC000329596738 159105670 /nfs/dbraw/zinc/10/56/70/159105670.db2.gz PGDHWKBKVBSJQT-JHJVBQTASA-N 0 0 306.428 0.194 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)CCS1(=O)=O ZINC000329630710 159107987 /nfs/dbraw/zinc/10/79/87/159107987.db2.gz RARJFAZMWFQFGU-NSHDSACASA-N 0 0 320.374 0.526 10 0 DCAERN Cc1nc(SCCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)n[nH]1 ZINC000329642982 159108135 /nfs/dbraw/zinc/10/81/35/159108135.db2.gz YMOZOFURHGLFII-QMMMGPOBSA-N 0 0 318.424 0.241 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)cn1C ZINC000329629051 159108487 /nfs/dbraw/zinc/10/84/87/159108487.db2.gz HLHBSKVHYNESJL-AAEUAGOBSA-N 0 0 312.439 0.976 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)nn1 ZINC000329655585 159109431 /nfs/dbraw/zinc/10/94/31/159109431.db2.gz MGTIUYYPTJJNKQ-LYIQGSDWSA-N 0 0 306.366 0.592 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000330040417 159137352 /nfs/dbraw/zinc/13/73/52/159137352.db2.gz FSQZAFDZLIXYSE-ZYHUDNBSSA-N 0 0 307.354 0.676 10 0 DCAERN Cn1nncc1S(=O)(=O)NC1CCN(c2ccccn2)CC1 ZINC000330057098 159138528 /nfs/dbraw/zinc/13/85/28/159138528.db2.gz WXEDJXSIMRMQCS-UHFFFAOYSA-N 0 0 322.394 0.157 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCCO[C@H]3C)CCO2)n1 ZINC000330054938 159138584 /nfs/dbraw/zinc/13/85/84/159138584.db2.gz SVCRFAOSLXYFMX-CQDKDKBSSA-N 0 0 322.409 0.937 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330191871 159148567 /nfs/dbraw/zinc/14/85/67/159148567.db2.gz XKBMHHIQXQSHQF-VXGBXAGGSA-N 0 0 314.411 0.883 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@H]1OC ZINC000330231636 159152893 /nfs/dbraw/zinc/15/28/93/159152893.db2.gz WZFMAQBYIXUPDH-ZIAGYGMSSA-N 0 0 302.334 0.753 10 0 DCAERN C[C@@]1(C(=O)N2CCN(CCn3cncn3)CC2)CCCNC1=O ZINC000330265090 159155651 /nfs/dbraw/zinc/15/56/51/159155651.db2.gz YTKMRBBQQREDPF-OAHLLOKOSA-N 0 0 320.397 0.179 10 0 DCAERN C[C@H](C(=O)N(C)Cc1cn2c(n1)CCCC2)N1CCOCC1 ZINC000330278556 159156393 /nfs/dbraw/zinc/15/63/93/159156393.db2.gz PUJZCVQLVRBBRP-CYBMUJFWSA-N 0 0 306.410 0.899 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330283328 159156991 /nfs/dbraw/zinc/15/69/91/159156991.db2.gz BGSZYDWANBREGX-KOVQTIFSSA-N 0 0 317.349 0.227 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCNC(=O)C(C)C ZINC000330480523 159180094 /nfs/dbraw/zinc/18/00/94/159180094.db2.gz RTWVNBXPJIIGKU-LLVKDONJSA-N 0 0 301.412 0.186 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1c(C)cc(C)nc1=O ZINC000330592781 159198355 /nfs/dbraw/zinc/19/83/55/159198355.db2.gz SAONBNJQTLKGIK-QWHCGFSZSA-N 0 0 309.366 0.122 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000330627744 159205152 /nfs/dbraw/zinc/20/51/52/159205152.db2.gz KNVZCPGUXRRHRG-UTUOFQBUSA-N 0 0 318.439 0.182 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332708360 159210770 /nfs/dbraw/zinc/21/07/70/159210770.db2.gz XQTSGJLYTKTLKH-JHJVBQTASA-N 0 0 307.394 0.705 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)CCC2 ZINC000332694222 159211132 /nfs/dbraw/zinc/21/11/32/159211132.db2.gz WULJYBYQWQZULQ-CHWSQXEVSA-N 0 0 319.409 0.989 10 0 DCAERN CN1C[C@@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1=O ZINC000332807561 159214379 /nfs/dbraw/zinc/21/43/79/159214379.db2.gz MJGWZEGFMOYGNT-JOYOIKCWSA-N 0 0 319.386 0.836 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)O1 ZINC000332809534 159214407 /nfs/dbraw/zinc/21/44/07/159214407.db2.gz HYBXIQPYOOCSEA-ITGHMWBKSA-N 0 0 322.405 0.696 10 0 DCAERN COCCCN(C)C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359248879 159256580 /nfs/dbraw/zinc/25/65/80/159256580.db2.gz UTVPTYZRKVIRDC-UHFFFAOYSA-N 0 0 309.366 0.244 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000364202480 159273779 /nfs/dbraw/zinc/27/37/79/159273779.db2.gz KJUOGGCHVSVRDD-BDJLRTHQSA-N 0 0 309.410 0.666 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C1CCCC1 ZINC000366851888 159292570 /nfs/dbraw/zinc/29/25/70/159292570.db2.gz OJNQETXCPAOQLM-MCIONIFRSA-N 0 0 307.394 0.418 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1CCC(F)(F)CC1 ZINC000367124460 159315934 /nfs/dbraw/zinc/31/59/34/159315934.db2.gz HNJNZUPMRWMXLM-VXGBXAGGSA-N 0 0 304.337 0.910 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN([C@H]3CCOC3)CC2)[nH]1 ZINC000367175674 159319031 /nfs/dbraw/zinc/31/90/31/159319031.db2.gz ZOFAIGOXHWBTKK-LBPRGKRZSA-N 0 0 315.377 0.813 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000367744400 159354488 /nfs/dbraw/zinc/35/44/88/159354488.db2.gz ARRGWVNVICCFNC-RMPHRYRLSA-N 0 0 313.398 0.330 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000368490959 159397919 /nfs/dbraw/zinc/39/79/19/159397919.db2.gz RFPPVZVLYIIKIQ-XAGWURHQSA-N 0 0 324.327 0.907 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368938512 159427788 /nfs/dbraw/zinc/42/77/88/159427788.db2.gz WJKJVRBCGNDJPK-UONOGXRCSA-N 0 0 316.467 1.000 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)N1CCSC(C)(C)CC1 ZINC000369313757 159450303 /nfs/dbraw/zinc/45/03/03/159450303.db2.gz GFWRKTPZFPUZQO-LBPRGKRZSA-N 0 0 300.424 0.978 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371871139 159591332 /nfs/dbraw/zinc/59/13/32/159591332.db2.gz XQLHCFOBKHHBRB-INIZCTEOSA-N 0 0 302.374 0.975 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C1(C)C ZINC000371942136 159594405 /nfs/dbraw/zinc/59/44/05/159594405.db2.gz IAHFIEDNVFNVMH-UYUMYWFVSA-N 0 0 313.398 0.474 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000372514923 159629144 /nfs/dbraw/zinc/62/91/44/159629144.db2.gz SKKXIQDAVDFGBW-LLVKDONJSA-N 0 0 306.366 0.724 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329021453 304426879 /nfs/dbraw/zinc/42/68/79/304426879.db2.gz MFIMEQUFINWDCZ-NWDGAFQWSA-N 0 0 312.395 0.236 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000373749889 159696827 /nfs/dbraw/zinc/69/68/27/159696827.db2.gz CQFFOWWEKLJYJJ-RWSFTLGLSA-N 0 0 309.366 0.391 10 0 DCAERN COCCCOCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374846435 159755089 /nfs/dbraw/zinc/75/50/89/159755089.db2.gz ZIBYFMZCQZKCIN-DZGCQCFKSA-N 0 0 315.410 0.723 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)C1 ZINC000374994170 159764538 /nfs/dbraw/zinc/76/45/38/159764538.db2.gz HZVPYNHSYVTMTB-UHFFFAOYSA-N 0 0 308.765 0.848 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCN3CCOC[C@H]3C2)c1 ZINC000375243135 159779766 /nfs/dbraw/zinc/77/97/66/159779766.db2.gz UTJHIMAICFDEOO-MRXNPFEDSA-N 0 0 317.389 0.844 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000377106128 159898648 /nfs/dbraw/zinc/89/86/48/159898648.db2.gz YIJUIRDTUBEIOK-WPRPVWTQSA-N 0 0 305.356 0.116 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@H](C(N)=O)O1 ZINC000378498574 159985554 /nfs/dbraw/zinc/98/55/54/159985554.db2.gz QOEGQTAZULILBQ-GMTAPVOTSA-N 0 0 313.398 0.617 10 0 DCAERN CO[C@H](C)c1nsc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 ZINC000407975315 160000819 /nfs/dbraw/zinc/00/08/19/160000819.db2.gz IHQFTOVZLYUVEI-DTWKUNHWSA-N 0 0 320.440 0.716 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000407976309 160000871 /nfs/dbraw/zinc/00/08/71/160000871.db2.gz NEIFFENWIPQOMP-YVEFUNNKSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000407982999 160002791 /nfs/dbraw/zinc/00/27/91/160002791.db2.gz ARVXEGYRYAGHJB-WDEREUQCSA-N 0 0 310.398 0.354 10 0 DCAERN C[C@H](NC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCC[C@H]1C ZINC000407989080 160004087 /nfs/dbraw/zinc/00/40/87/160004087.db2.gz WLURNIJUGRNQDW-OLZOCXBDSA-N 0 0 324.425 0.698 10 0 DCAERN CCN(CC)C(=O)N1CCC(C(=O)N[C@H]2CCC(=O)NC2)CC1 ZINC000407991524 160005540 /nfs/dbraw/zinc/00/55/40/160005540.db2.gz VUIGPVVQESYEOG-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000407991163 160005653 /nfs/dbraw/zinc/00/56/53/160005653.db2.gz OEOQDRAEGUQPFX-AWEZNQCLSA-N 0 0 311.426 0.424 10 0 DCAERN CNS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000407998389 160006754 /nfs/dbraw/zinc/00/67/54/160006754.db2.gz RGJYADSXYBVQHH-UHFFFAOYSA-N 0 0 301.412 0.125 10 0 DCAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@H](CO)C1 ZINC000408003405 160007766 /nfs/dbraw/zinc/00/77/66/160007766.db2.gz RPIAOZLAOBTANI-MNOVXSKESA-N 0 0 310.316 0.480 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408012346 160010539 /nfs/dbraw/zinc/01/05/39/160010539.db2.gz HDAGKKGRKLLIGH-SCRDCRAPSA-N 0 0 317.455 0.810 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CCOC[C@H]2c2ncnn2C)CCO1 ZINC000408021479 160013583 /nfs/dbraw/zinc/01/35/83/160013583.db2.gz IGRPYUZKSOGOSZ-UPJWGTAASA-N 0 0 323.397 0.713 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(C)CC1 ZINC000408020491 160013647 /nfs/dbraw/zinc/01/36/47/160013647.db2.gz IFVPDXABVULNKC-UHFFFAOYSA-N 0 0 303.409 0.092 10 0 DCAERN NC(=O)N[C@H]1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000408023159 160013704 /nfs/dbraw/zinc/01/37/04/160013704.db2.gz QIZHNLNKRKETMC-ZZTKBFGJSA-N 0 0 320.437 0.814 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2nc3cccnc3s2)CC1 ZINC000408023039 160014172 /nfs/dbraw/zinc/01/41/72/160014172.db2.gz OMRZRHBKAHCPNM-UHFFFAOYSA-N 0 0 312.420 0.769 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000408025330 160014945 /nfs/dbraw/zinc/01/49/45/160014945.db2.gz BBKBRFOBOZAAGI-RYUDHWBXSA-N 0 0 319.427 0.070 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000408032115 160016304 /nfs/dbraw/zinc/01/63/04/160016304.db2.gz RUEQTQYXVSNSFC-KKZNHRDASA-N 0 0 319.383 0.505 10 0 DCAERN Cc1noc([C@@H]2CN([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033959 160017515 /nfs/dbraw/zinc/01/75/15/160017515.db2.gz BYMNMOJGBMJKMA-YPMHNXCESA-N 0 0 309.414 0.922 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCN2C)n1 ZINC000408036488 160018568 /nfs/dbraw/zinc/01/85/68/160018568.db2.gz UIFUVSUPESVZJI-LBPRGKRZSA-N 0 0 317.349 0.504 10 0 DCAERN CN(C)C(=O)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408038972 160019700 /nfs/dbraw/zinc/01/97/00/160019700.db2.gz QLSUWYOMRMQXTJ-DGCLKSJQSA-N 0 0 307.394 0.467 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@@H](CCO)C1 ZINC000408038688 160019765 /nfs/dbraw/zinc/01/97/65/160019765.db2.gz OWAYAUXEYHOBHW-YNEHKIRRSA-N 0 0 308.378 0.393 10 0 DCAERN CS(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408047110 160022381 /nfs/dbraw/zinc/02/23/81/160022381.db2.gz ZDBGXHAFNAJFCQ-MGPQQGTHSA-N 0 0 305.440 0.673 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408054045 160024303 /nfs/dbraw/zinc/02/43/03/160024303.db2.gz QBTINWNIUZXULP-KRWDZBQOSA-N 0 0 318.373 0.650 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408054336 160024566 /nfs/dbraw/zinc/02/45/66/160024566.db2.gz ZHMIZYYTOPJYSI-DFBGVHRSSA-N 0 0 307.394 0.985 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000408056790 160025097 /nfs/dbraw/zinc/02/50/97/160025097.db2.gz LOKDWBAIZRSVDR-INIZCTEOSA-N 0 0 319.361 0.118 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)nc1C ZINC000408058887 160025757 /nfs/dbraw/zinc/02/57/57/160025757.db2.gz NYENZCPDFCUUPT-SNVBAGLBSA-N 0 0 300.384 0.111 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCS[C@@H](C)C1 ZINC000408068824 160027236 /nfs/dbraw/zinc/02/72/36/160027236.db2.gz YBTYPMLLTROWKJ-QWRGUYRKSA-N 0 0 322.452 0.696 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408074447 160030327 /nfs/dbraw/zinc/03/03/27/160030327.db2.gz UAQWTXGQCILPTJ-VHSXEESVSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)C[C@@H]1O ZINC000408087451 160032346 /nfs/dbraw/zinc/03/23/46/160032346.db2.gz DWKKHFKXOWBJCY-HZMBPMFUSA-N 0 0 309.391 0.965 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cn1C ZINC000408087596 160032357 /nfs/dbraw/zinc/03/23/57/160032357.db2.gz FDNLZXZXFAFWKZ-BXKDBHETSA-N 0 0 316.379 0.203 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCO[C@H](C)C2)CCO1 ZINC000408086631 160032386 /nfs/dbraw/zinc/03/23/86/160032386.db2.gz KNDNNCAKIGJFKY-WOPDTQHZSA-N 0 0 300.355 0.385 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@@H]1O ZINC000408086937 160032547 /nfs/dbraw/zinc/03/25/47/160032547.db2.gz AMHDZNQLMSZIFN-QWRGUYRKSA-N 0 0 313.375 0.849 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](O)C1)C(=O)N1CCOCC1 ZINC000408091406 160033323 /nfs/dbraw/zinc/03/33/23/160033323.db2.gz HLJDNMYYJFRWBP-FRRDWIJNSA-N 0 0 313.398 0.036 10 0 DCAERN CC(C)[C@H]1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408095607 160034916 /nfs/dbraw/zinc/03/49/16/160034916.db2.gz OAIIOEHZGADFPN-WDEREUQCSA-N 0 0 311.382 0.637 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC000408096194 160035104 /nfs/dbraw/zinc/03/51/04/160035104.db2.gz XCICUKSWFZBIIE-CMPLNLGQSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408114031 160039058 /nfs/dbraw/zinc/03/90/58/160039058.db2.gz VLPUAEZIEDVKOM-NSHDSACASA-N 0 0 316.361 0.265 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408113814 160039143 /nfs/dbraw/zinc/03/91/43/160039143.db2.gz AQVAWZRTLKPDRQ-XVKPBYJWSA-N 0 0 302.352 0.078 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c(C)o1 ZINC000408118766 160040169 /nfs/dbraw/zinc/04/01/69/160040169.db2.gz WVHQKLWRLYIWCW-NEPJUHHUSA-N 0 0 300.380 0.600 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000408126870 160042812 /nfs/dbraw/zinc/04/28/12/160042812.db2.gz BOIWWGUZNHPMHD-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1=O ZINC000408127164 160042841 /nfs/dbraw/zinc/04/28/41/160042841.db2.gz DGDWKCMPVYJSII-AWEZNQCLSA-N 0 0 317.389 0.860 10 0 DCAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000408128014 160043112 /nfs/dbraw/zinc/04/31/12/160043112.db2.gz ZLWCGWOHKWQVTE-NEPJUHHUSA-N 0 0 305.382 0.701 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408137027 160045306 /nfs/dbraw/zinc/04/53/06/160045306.db2.gz BZZIYVXFQZOFLA-WYUUTHIRSA-N 0 0 303.428 0.802 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@@H]1CO ZINC000408139769 160045706 /nfs/dbraw/zinc/04/57/06/160045706.db2.gz PMDBECMNIWLKBW-GXTWGEPZSA-N 0 0 311.426 0.999 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408138502 160045841 /nfs/dbraw/zinc/04/58/41/160045841.db2.gz CJVJZZLYMNYTNV-RKDXNWHRSA-N 0 0 307.316 0.593 10 0 DCAERN COc1cnc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000408140058 160046333 /nfs/dbraw/zinc/04/63/33/160046333.db2.gz IMAJHWQWIUOFAP-ZETCQYMHSA-N 0 0 320.396 0.307 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC(c3nccs3)CC2)O1 ZINC000408151074 160048317 /nfs/dbraw/zinc/04/83/17/160048317.db2.gz YTXNTJSRNHZUDW-QWRGUYRKSA-N 0 0 309.391 0.882 10 0 DCAERN CC(C)(C(=O)N1CCO[C@H](c2nccs2)C1)S(C)(=O)=O ZINC000408151591 160048609 /nfs/dbraw/zinc/04/86/09/160048609.db2.gz WMTWGZVSRIPNFO-VIFPVBQESA-N 0 0 318.420 0.866 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCC(O)(C(F)F)CC1 ZINC000408159753 160049726 /nfs/dbraw/zinc/04/97/26/160049726.db2.gz REBALMFNMOXOIM-SNVBAGLBSA-N 0 0 304.337 0.911 10 0 DCAERN COc1nc(C)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000408163882 160050416 /nfs/dbraw/zinc/05/04/16/160050416.db2.gz FGXCMPXIXKYTCL-ZDUSSCGKSA-N 0 0 320.393 0.869 10 0 DCAERN C[C@H]1C[C@H](C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1 ZINC000408162617 160050537 /nfs/dbraw/zinc/05/05/37/160050537.db2.gz XYLXDNHOTXDHAD-STQMWFEESA-N 0 0 309.410 0.810 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1noc2c1CCCC2 ZINC000408166158 160050952 /nfs/dbraw/zinc/05/09/52/160050952.db2.gz XEXQZZVJEHZESQ-VIFPVBQESA-N 0 0 313.379 0.447 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CCCN(C(N)=O)CC3)n2)n1 ZINC000408170366 160051795 /nfs/dbraw/zinc/05/17/95/160051795.db2.gz UIKZIDQLTBEPLO-UHFFFAOYSA-N 0 0 315.381 0.870 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@@H](O)CC1 ZINC000408178257 160053771 /nfs/dbraw/zinc/05/37/71/160053771.db2.gz PNCLGMDQLARNKJ-SNVBAGLBSA-N 0 0 304.350 0.964 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cs1 ZINC000408186759 160054979 /nfs/dbraw/zinc/05/49/79/160054979.db2.gz JBOHKXKBUHEIAE-HGNGGELXSA-N 0 0 316.404 0.238 10 0 DCAERN Cc1cc([C@@H]2CCCN2C(=O)CS(=O)(=O)N(C)C)on1 ZINC000408184642 160055393 /nfs/dbraw/zinc/05/53/93/160055393.db2.gz CRKTYTVZVQXYRG-JTQLQIEISA-N 0 0 301.368 0.538 10 0 DCAERN C[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408192499 160056649 /nfs/dbraw/zinc/05/66/49/160056649.db2.gz NOUFHAOVIWTHHU-VWYCJHECSA-N 0 0 306.428 0.777 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NCCCN2CCOCC2)CCO1 ZINC000408192301 160056835 /nfs/dbraw/zinc/05/68/35/160056835.db2.gz MKQUISNOYQNFKH-CHWSQXEVSA-N 0 0 306.428 0.196 10 0 DCAERN C[C@@H]1N(C(=O)CCCN2C(=O)CNC2=O)CCC12CCOCC2 ZINC000408197524 160057456 /nfs/dbraw/zinc/05/74/56/160057456.db2.gz INOXEBWOXLIGGQ-LBPRGKRZSA-N 0 0 323.393 0.736 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(CC(C)(C)O)CC2)CC(=O)N1 ZINC000408200991 160058726 /nfs/dbraw/zinc/05/87/26/160058726.db2.gz CQBLSQFFNXDFHM-CHWSQXEVSA-N 0 0 311.426 0.206 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1nc(C)c(C)s1 ZINC000408203574 160059404 /nfs/dbraw/zinc/05/94/04/160059404.db2.gz DEXGLIUTXUKNQA-QMMMGPOBSA-N 0 0 322.433 0.997 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC(=O)N1 ZINC000408206249 160059844 /nfs/dbraw/zinc/05/98/44/160059844.db2.gz SYHBLBVSRTVOPW-UPJWGTAASA-N 0 0 319.409 0.420 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408207684 160060126 /nfs/dbraw/zinc/06/01/26/160060126.db2.gz XMODOIUOKNQKCE-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCCc2n[nH]cc21 ZINC000408207718 160060344 /nfs/dbraw/zinc/06/03/44/160060344.db2.gz TWFCWEKUDYZJLB-BXKDBHETSA-N 0 0 313.379 0.834 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2cscn2)C[C@H](C)O1 ZINC000408224968 160063591 /nfs/dbraw/zinc/06/35/91/160063591.db2.gz IVVYEHKELDROFP-AOOOYVTPSA-N 0 0 305.425 0.629 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224916 160063812 /nfs/dbraw/zinc/06/38/12/160063812.db2.gz XXFSDOGQPDNWQR-STQMWFEESA-N 0 0 302.440 0.754 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1(C)CC1 ZINC000408224826 160064214 /nfs/dbraw/zinc/06/42/14/160064214.db2.gz IHRNUIUXRORVJE-SECBINFHSA-N 0 0 300.384 0.731 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408231751 160064387 /nfs/dbraw/zinc/06/43/87/160064387.db2.gz PGJVFHOHDWYJRE-WCBMZHEXSA-N 0 0 310.366 0.818 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3[C@H](C)C3(F)F)CC2)n1 ZINC000408230327 160064888 /nfs/dbraw/zinc/06/48/88/160064888.db2.gz AXEORHKAAMONFC-KWQFWETISA-N 0 0 300.309 0.923 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C)CC2)c1 ZINC000408233818 160065175 /nfs/dbraw/zinc/06/51/75/160065175.db2.gz BKVLBDQCKOVGEX-UHFFFAOYSA-N 0 0 314.411 0.089 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cn1 ZINC000408234530 160065784 /nfs/dbraw/zinc/06/57/84/160065784.db2.gz DIEGCQFHMDAEAE-WDEREUQCSA-N 0 0 315.395 0.534 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000408234015 160065823 /nfs/dbraw/zinc/06/58/23/160065823.db2.gz APHSTQHCDUCSRR-JTQLQIEISA-N 0 0 300.384 0.363 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)ccn1 ZINC000408236038 160065924 /nfs/dbraw/zinc/06/59/24/160065924.db2.gz LNONZSZSZGBAHS-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CC1(O)CCCC1 ZINC000408240939 160066738 /nfs/dbraw/zinc/06/67/38/160066738.db2.gz GQBAIUMCQJOQMY-NWDGAFQWSA-N 0 0 318.439 0.658 10 0 DCAERN Cc1cc(N[C@H]2CCCC[C@H]2NS(C)(=O)=O)n2ncnc2n1 ZINC000408240701 160066988 /nfs/dbraw/zinc/06/69/88/160066988.db2.gz FHWCFJZFZQCQNK-WDEREUQCSA-N 0 0 324.410 0.705 10 0 DCAERN CN(C)c1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc(=O)[nH]1 ZINC000408242430 160067791 /nfs/dbraw/zinc/06/77/91/160067791.db2.gz UMEPXBATJOKGPX-GXSJLCMTSA-N 0 0 319.365 0.131 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1cscn1 ZINC000408242450 160067888 /nfs/dbraw/zinc/06/78/88/160067888.db2.gz URROLIOTYJOLRJ-BDAKNGLRSA-N 0 0 303.409 0.733 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000408249050 160069370 /nfs/dbraw/zinc/06/93/70/160069370.db2.gz OEKOIQYTJFZGBP-NSHDSACASA-N 0 0 318.333 0.760 10 0 DCAERN COCC[C@@H](C)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408247230 160069426 /nfs/dbraw/zinc/06/94/26/160069426.db2.gz MWYBWIRUTHLWSH-OLZOCXBDSA-N 0 0 306.428 0.148 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000408258445 160070715 /nfs/dbraw/zinc/07/07/15/160070715.db2.gz XAQRJQGTMRMAQB-RDBSUJKOSA-N 0 0 324.425 0.160 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000408257732 160070752 /nfs/dbraw/zinc/07/07/52/160070752.db2.gz VODRHVIHGYIACD-CYZMBNFOSA-N 0 0 322.409 0.483 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000408261220 160071361 /nfs/dbraw/zinc/07/13/61/160071361.db2.gz MOONAHBIWSSVDN-DGCLKSJQSA-N 0 0 317.345 0.701 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000408260721 160071414 /nfs/dbraw/zinc/07/14/14/160071414.db2.gz XGPYXWDXHWZAMA-NXEZZACHSA-N 0 0 312.395 0.109 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000408265313 160072163 /nfs/dbraw/zinc/07/21/63/160072163.db2.gz QIALEYLQMNPMSR-DRZSPHRISA-N 0 0 323.397 0.603 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)N(C(C)=O)C1 ZINC000408272585 160073453 /nfs/dbraw/zinc/07/34/53/160073453.db2.gz GFDFYSFXJPYGNL-BARDWOONSA-N 0 0 312.410 0.942 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C ZINC000408272534 160073457 /nfs/dbraw/zinc/07/34/57/160073457.db2.gz FKYFZHJHPFTWPC-VXGBXAGGSA-N 0 0 308.382 0.193 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000408276552 160074251 /nfs/dbraw/zinc/07/42/51/160074251.db2.gz KADAHLSGJSKZLO-UHFFFAOYSA-N 0 0 303.409 0.613 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000408276914 160074373 /nfs/dbraw/zinc/07/43/73/160074373.db2.gz MFTBVMBMJYLEIP-OAHLLOKOSA-N 0 0 308.334 0.336 10 0 DCAERN CCC1(CC)CN(C(=O)C(C)(C)S(C)(=O)=O)CC[S@]1=O ZINC000408277894 160075373 /nfs/dbraw/zinc/07/53/73/160075373.db2.gz SDLLOSCZPXEBPZ-LJQANCHMSA-N 0 0 323.480 0.959 10 0 DCAERN O=C(C1CCC(O)CC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408284281 160076263 /nfs/dbraw/zinc/07/62/63/160076263.db2.gz WCDSDAXTXYXHCC-SHARSMKWSA-N 0 0 324.421 0.635 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](OC)C2)CC1 ZINC000408290019 160077641 /nfs/dbraw/zinc/07/76/41/160077641.db2.gz HFRCFZVNFLYUQI-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(O)CC1 ZINC000408293759 160078309 /nfs/dbraw/zinc/07/83/09/160078309.db2.gz ZUMHEVIYZZKPRA-IFWUJCSASA-N 0 0 318.439 0.514 10 0 DCAERN CC(C)[C@](C)(O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408296926 160078831 /nfs/dbraw/zinc/07/88/31/160078831.db2.gz GVGYTMSEZOHJJS-BBRMVZONSA-N 0 0 312.410 0.491 10 0 DCAERN CC(C)[C@@](C)(O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408296930 160079206 /nfs/dbraw/zinc/07/92/06/160079206.db2.gz GVGYTMSEZOHJJS-XJKSGUPXSA-N 0 0 312.410 0.491 10 0 DCAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)NCC2CC2)cn1 ZINC000408299557 160080005 /nfs/dbraw/zinc/08/00/05/160080005.db2.gz VAFXIGAYIIUKGV-LBPRGKRZSA-N 0 0 312.395 0.311 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408304659 160080802 /nfs/dbraw/zinc/08/08/02/160080802.db2.gz BYWZSQAXFQVGSE-CMPLNLGQSA-N 0 0 308.300 0.913 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)N[C@H]1CCN(C(C)=O)C1)CC2 ZINC000408304064 160080966 /nfs/dbraw/zinc/08/09/66/160080966.db2.gz WDRUENLKGRUHFP-QWHCGFSZSA-N 0 0 323.393 0.592 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408304900 160081002 /nfs/dbraw/zinc/08/10/02/160081002.db2.gz FDYMFNLVZZKQCM-GZMMTYOYSA-N 0 0 309.288 0.445 10 0 DCAERN O=C(N[C@@H]1CC[S@@](=O)C1)N1CCN(Cc2ccco2)CC1 ZINC000408306477 160081643 /nfs/dbraw/zinc/08/16/43/160081643.db2.gz ACUPGFZBBFDPIE-XUSGNXJCSA-N 0 0 311.407 0.628 10 0 DCAERN CC(=O)N[C@H](C)C1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000408329719 160086124 /nfs/dbraw/zinc/08/61/24/160086124.db2.gz FXFBVEUOTYYERI-YGRLFVJLSA-N 0 0 300.424 0.618 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000408335194 160087699 /nfs/dbraw/zinc/08/76/99/160087699.db2.gz FVCCDSVVLFCTCH-NDBYEHHHSA-N 0 0 319.423 0.751 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408350007 160089614 /nfs/dbraw/zinc/08/96/14/160089614.db2.gz NHTFHQNPJGWDMI-BLLLJJGKSA-N 0 0 323.393 0.472 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408353388 160090420 /nfs/dbraw/zinc/09/04/20/160090420.db2.gz AXQUJQWBIKWYQB-JHJVBQTASA-N 0 0 322.427 0.078 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ncccc3F)CC2)CCCNC1=O ZINC000408371164 160093655 /nfs/dbraw/zinc/09/36/55/160093655.db2.gz VXIOGKMXVFBDOM-MRXNPFEDSA-N 0 0 320.368 0.786 10 0 DCAERN C[C@]1(CO)CCC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408368042 160093825 /nfs/dbraw/zinc/09/38/25/160093825.db2.gz AYGOGPCTGUTPLG-IAQYHMDHSA-N 0 0 323.393 0.518 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408383321 160096848 /nfs/dbraw/zinc/09/68/48/160096848.db2.gz VWJXCNOHKDNVDW-RYUDHWBXSA-N 0 0 322.409 0.450 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1OC ZINC000408386560 160097711 /nfs/dbraw/zinc/09/77/11/160097711.db2.gz PCAHHKYDHKFDQZ-DTORHVGOSA-N 0 0 309.775 0.108 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CCO1 ZINC000408389031 160098162 /nfs/dbraw/zinc/09/81/62/160098162.db2.gz YMTCUIVZLLKQGB-WDEREUQCSA-N 0 0 300.355 0.527 10 0 DCAERN CN(C(=O)CN1C(=O)NC(=O)C1(C)C)C1CCC(CO)CC1 ZINC000408399521 160100510 /nfs/dbraw/zinc/10/05/10/160100510.db2.gz IFQRFUBSTWRMMC-UHFFFAOYSA-N 0 0 311.382 0.326 10 0 DCAERN CSc1c(C(=O)N2CC[S@@](=O)C[C@H](C)C2)cnn1C ZINC000408398811 160100651 /nfs/dbraw/zinc/10/06/51/160100651.db2.gz YAWMFZZLVKBVIK-AYLIAGHASA-N 0 0 301.437 0.983 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)C4(C)CC4)CC3)n2n1 ZINC000408402974 160101095 /nfs/dbraw/zinc/10/10/95/160101095.db2.gz KCBKICZRWZEMSV-UHFFFAOYSA-N 0 0 300.366 0.881 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@@H]3CCC[C@H]32)NC(=O)NC1=O ZINC000408417353 160103465 /nfs/dbraw/zinc/10/34/65/160103465.db2.gz YEPRTWKJZYDDBD-UEKVPHQBSA-N 0 0 309.366 0.535 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408430197 160107020 /nfs/dbraw/zinc/10/70/20/160107020.db2.gz QJKGKLGMLAFTQB-TXEJJXNPSA-N 0 0 306.428 0.577 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000408448809 160109975 /nfs/dbraw/zinc/10/99/75/160109975.db2.gz BBOMZDCUMYUVPN-CHWSQXEVSA-N 0 0 313.423 0.466 10 0 DCAERN Cc1oc(C(=O)N2CCC([C@H](C)O)CC2)cc1S(N)(=O)=O ZINC000408446882 160110225 /nfs/dbraw/zinc/11/02/25/160110225.db2.gz RYTUOHPJOMMNOP-QMMMGPOBSA-N 0 0 316.379 0.468 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408459557 160112450 /nfs/dbraw/zinc/11/24/50/160112450.db2.gz IXNFRVUVZWUBCS-BFHYXJOUSA-N 0 0 320.455 0.272 10 0 DCAERN CNS(=O)(=O)N1CCN(Cc2nc(C)sc2C)CC1 ZINC000408459511 160112860 /nfs/dbraw/zinc/11/28/60/160112860.db2.gz YEMXDIXNQPNOGE-UHFFFAOYSA-N 0 0 304.441 0.342 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408461049 160113461 /nfs/dbraw/zinc/11/34/61/160113461.db2.gz SWNSCBOVKRPNMA-GHMZBOCLSA-N 0 0 300.380 0.872 10 0 DCAERN C[C@@H]1CN(C(=O)CN2c3ccccc3CCCC2=O)CC(=O)N1 ZINC000408462307 160113512 /nfs/dbraw/zinc/11/35/12/160113512.db2.gz CXFPHNTXCDTGQH-GFCCVEGCSA-N 0 0 315.373 0.703 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408461484 160113956 /nfs/dbraw/zinc/11/39/56/160113956.db2.gz VLCWUZDMLFIAPK-QWHCGFSZSA-N 0 0 311.407 0.484 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@H]([C@@H](C)O)C3)cnc2n1 ZINC000408465221 160114133 /nfs/dbraw/zinc/11/41/33/160114133.db2.gz GVBZWUSQSVJKQX-MFKMUULPSA-N 0 0 317.345 0.866 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000408466289 160114243 /nfs/dbraw/zinc/11/42/43/160114243.db2.gz LAVKQULAVLNSGQ-LLVKDONJSA-N 0 0 320.459 0.506 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000408470937 160115600 /nfs/dbraw/zinc/11/56/00/160115600.db2.gz RSJVCAYULKJHEE-UTUOFQBUSA-N 0 0 316.423 0.296 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](CO)[C@H]1CC ZINC000408471306 160115643 /nfs/dbraw/zinc/11/56/43/160115643.db2.gz WUVKOBOKOZHAQP-IJLUTSLNSA-N 0 0 300.424 0.917 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000075262681 286917744 /nfs/dbraw/zinc/91/77/44/286917744.db2.gz MTXMZXIIJJERJM-CYBMUJFWSA-N 0 0 318.395 0.844 10 0 DCAERN COCCN1C[C@@H](C(=O)NC[C@](C)(O)CCC(C)C)CC1=O ZINC000075130026 286917787 /nfs/dbraw/zinc/91/77/87/286917787.db2.gz PWHNYAFZTUWOQY-XJKSGUPXSA-N 0 0 314.426 0.785 10 0 DCAERN CCCC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000080403989 286926472 /nfs/dbraw/zinc/92/64/72/286926472.db2.gz FADAVSDBMOYSHO-UHFFFAOYSA-N 0 0 305.378 0.678 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)NCc1cccnc1N(C)C ZINC000124059868 286962026 /nfs/dbraw/zinc/96/20/26/286962026.db2.gz VTGPLLQCBVCJET-UHFFFAOYSA-N 0 0 307.398 0.719 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)[C@@H]1CCCO1 ZINC000246059266 286965792 /nfs/dbraw/zinc/96/57/92/286965792.db2.gz AYAHGNCTQQMNJH-TUVASFSCSA-N 0 0 311.426 0.916 10 0 DCAERN CN(C)c1ncc(NC(=O)CNC(=O)NCc2ccco2)cn1 ZINC000126215270 286970519 /nfs/dbraw/zinc/97/05/19/286970519.db2.gz YAEHHBFLYCZGSV-UHFFFAOYSA-N 0 0 318.337 0.574 10 0 DCAERN CSCCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000126237279 286970525 /nfs/dbraw/zinc/97/05/25/286970525.db2.gz LWZGVECSRANUKX-UHFFFAOYSA-N 0 0 309.395 0.389 10 0 DCAERN CCNC(=O)CN(CC)C(=O)NCCc1c(C)nn(C)c1C ZINC000126584816 286972323 /nfs/dbraw/zinc/97/23/23/286972323.db2.gz ZIKCXGLBQCWDJD-UHFFFAOYSA-N 0 0 309.414 0.747 10 0 DCAERN CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000130419750 286994000 /nfs/dbraw/zinc/99/40/00/286994000.db2.gz OEUBJBKIUDNJAX-LLVKDONJSA-N 0 0 307.350 0.682 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000132217933 287004111 /nfs/dbraw/zinc/00/41/11/287004111.db2.gz BBZCSSFKRIQMJC-VXGBXAGGSA-N 0 0 308.382 0.994 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H](C)Oc2cccc(CO)c2)C1 ZINC000132568051 287006047 /nfs/dbraw/zinc/00/60/47/287006047.db2.gz MJZCQLBNKLESKE-LLVKDONJSA-N 0 0 306.362 0.541 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000131704798 287001620 /nfs/dbraw/zinc/00/16/20/287001620.db2.gz QFIGQFLGWZVOTH-UONOGXRCSA-N 0 0 302.415 0.343 10 0 DCAERN O=C(NCCNc1cncc(OCCO)n1)c1ccc(F)cc1 ZINC000131777583 287002001 /nfs/dbraw/zinc/00/20/01/287002001.db2.gz XWPFEVSMZQKBQS-UHFFFAOYSA-N 0 0 320.324 0.829 10 0 DCAERN Cc1cc(N2CCN(Cc3csnn3)CC2)n2ncnc2n1 ZINC000133955277 287014155 /nfs/dbraw/zinc/01/41/55/287014155.db2.gz PRILFOLVRQCWRG-UHFFFAOYSA-N 0 0 316.394 0.606 10 0 DCAERN Cc1nc(C(=O)NCc2cccnc2N(C)C)c(=O)[nH]c1C ZINC000135906918 287024781 /nfs/dbraw/zinc/02/47/81/287024781.db2.gz DVXQZPZYOVPNJH-UHFFFAOYSA-N 0 0 301.350 0.778 10 0 DCAERN CN(CCNC(=O)c1cc(C(N)=O)cn1C)c1ccccc1 ZINC000152178375 287039430 /nfs/dbraw/zinc/03/94/30/287039430.db2.gz JZCGBJMIQXNFDA-UHFFFAOYSA-N 0 0 300.362 0.990 10 0 DCAERN Cn1cc(NC(=O)Cc2ccc(F)cc2F)c(=O)n(C)c1=O ZINC000152388263 287040835 /nfs/dbraw/zinc/04/08/35/287040835.db2.gz XWNAUERCBZPYKK-UHFFFAOYSA-N 0 0 309.272 0.543 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCCNC(=O)C(C)C ZINC000152412520 287041284 /nfs/dbraw/zinc/04/12/84/287041284.db2.gz GWMWPQITTAMAML-UHFFFAOYSA-N 0 0 323.397 0.510 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(F)cc2nccnc21 ZINC000153404130 287049898 /nfs/dbraw/zinc/04/98/98/287049898.db2.gz CTNPXTDVVIBSMX-SECBINFHSA-N 0 0 302.265 0.304 10 0 DCAERN CC(C)c1noc2ncc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc21 ZINC000153503371 287050547 /nfs/dbraw/zinc/05/05/47/287050547.db2.gz XSJXGTRJUDGIGE-SNVBAGLBSA-N 0 0 316.317 0.881 10 0 DCAERN C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000177365891 287054673 /nfs/dbraw/zinc/05/46/73/287054673.db2.gz NZZLISCDEUSART-SUMWQHHRSA-N 0 0 318.373 0.980 10 0 DCAERN CC(C)(CNC(=O)N[C@H]1CCCn2ncnc21)N1CCOCC1 ZINC000177356857 287054707 /nfs/dbraw/zinc/05/47/07/287054707.db2.gz JESCLAWDEDSVEM-LBPRGKRZSA-N 0 0 322.413 0.523 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193405453 287060830 /nfs/dbraw/zinc/06/08/30/287060830.db2.gz DSDXVGPWBWUJBD-SNVBAGLBSA-N 0 0 314.345 0.796 10 0 DCAERN O=C(CNC(=O)[C@@H]1CNC(=O)C1)Nc1cccc2cccnc21 ZINC000195351028 287062779 /nfs/dbraw/zinc/06/27/79/287062779.db2.gz PFNQVDOJZKKEKV-NSHDSACASA-N 0 0 312.329 0.426 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443210 287069246 /nfs/dbraw/zinc/06/92/46/287069246.db2.gz WYJCVPDYTGFVQO-KCJUWKMLSA-N 0 0 311.304 0.608 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@@H]1CC ZINC000245461540 287069661 /nfs/dbraw/zinc/06/96/61/287069661.db2.gz NAQCUYIQFVVFDE-LSDHHAIUSA-N 0 0 313.442 0.276 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)[C@@H](C)CO1 ZINC000245643313 287071531 /nfs/dbraw/zinc/07/15/31/287071531.db2.gz SSMDUAPGVGFEOX-UMSGYPCISA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H]1C(=O)NCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245898072 287074075 /nfs/dbraw/zinc/07/40/75/287074075.db2.gz JKZIENPETSEXBA-VHSXEESVSA-N 0 0 307.316 0.608 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000245904840 287074235 /nfs/dbraw/zinc/07/42/35/287074235.db2.gz SWWZCOOIEQVFIF-ZIAGYGMSSA-N 0 0 319.471 0.352 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](OC)C1 ZINC000246064495 287076005 /nfs/dbraw/zinc/07/60/05/287076005.db2.gz BDNQADDOVMXFRP-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)n1 ZINC000246264413 287080144 /nfs/dbraw/zinc/08/01/44/287080144.db2.gz UOIHNBLDCRZRGO-NXEZZACHSA-N 0 0 305.425 0.895 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1C ZINC000246125236 287077315 /nfs/dbraw/zinc/07/73/15/287077315.db2.gz TUZXKPQRBSCPRV-GHMZBOCLSA-N 0 0 312.395 0.160 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)[C@@H](C)CO1 ZINC000246180982 287078313 /nfs/dbraw/zinc/07/83/13/287078313.db2.gz GZWVEDXJAZPQSI-NWDGAFQWSA-N 0 0 306.428 0.699 10 0 DCAERN CC(C)(C)OC[C@H](O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000246420378 287083120 /nfs/dbraw/zinc/08/31/20/287083120.db2.gz BZZZXGSODOWHGE-QWHCGFSZSA-N 0 0 305.440 0.814 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)[C@@H](C)CO1 ZINC000246566215 287085508 /nfs/dbraw/zinc/08/55/08/287085508.db2.gz SBTUSWCRRXCGFI-DTWKUNHWSA-N 0 0 324.353 0.722 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000246869391 287088610 /nfs/dbraw/zinc/08/86/10/287088610.db2.gz AISNSQBKWMWBCM-AGIUHOORSA-N 0 0 321.421 0.938 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000246854924 287088622 /nfs/dbraw/zinc/08/86/22/287088622.db2.gz DHBDHMNLJLTUKH-YVECIDJPSA-N 0 0 308.378 0.797 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@H](C)OC[C@H]2C)no1 ZINC000248404309 287096535 /nfs/dbraw/zinc/09/65/35/287096535.db2.gz PZLNAVHCNLESAI-BDAKNGLRSA-N 0 0 304.372 0.164 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)[C@@H](C)CO1 ZINC000248666985 287099524 /nfs/dbraw/zinc/09/95/24/287099524.db2.gz WXPVFTFDTDFOJJ-DJLDLDEBSA-N 0 0 320.333 0.195 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000248476872 287097734 /nfs/dbraw/zinc/09/77/34/287097734.db2.gz YKEZXNFULUAFCZ-SDDRHHMPSA-N 0 0 308.444 0.727 10 0 DCAERN CCOC(=O)[C@@H](C)N(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000248939520 287103952 /nfs/dbraw/zinc/10/39/52/287103952.db2.gz CJWKXPCLSZHDRA-OCCSQVGLSA-N 0 0 300.399 0.096 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000248704074 287100061 /nfs/dbraw/zinc/10/00/61/287100061.db2.gz OBTAZHCKILIHIC-WCQGTBRESA-N 0 0 309.370 0.213 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)n1 ZINC000248759411 287101128 /nfs/dbraw/zinc/10/11/28/287101128.db2.gz XQNVLXGOMNPIBM-OLZOCXBDSA-N 0 0 320.393 0.242 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[S@](=O)CC2(C)C)C1 ZINC000249189533 287107364 /nfs/dbraw/zinc/10/73/64/287107364.db2.gz OYSMNDFAOIHKDY-ZMZPIMSZSA-N 0 0 308.469 0.806 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000249529887 287112966 /nfs/dbraw/zinc/11/29/66/287112966.db2.gz ASCCHAOCSCWENO-HNNXBMFYSA-N 0 0 305.422 0.610 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)[C@@H](C)CO1 ZINC000249483507 287111741 /nfs/dbraw/zinc/11/17/41/287111741.db2.gz WGUIHBXMTLOYTH-QWRGUYRKSA-N 0 0 306.428 0.576 10 0 DCAERN CC[C@@H]1CN([C@@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000153386302 287206681 /nfs/dbraw/zinc/20/66/81/287206681.db2.gz HZCAUYBPJQWJLY-VHSXEESVSA-N 0 0 306.357 0.492 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)CC(C)C)CCN1C[C@@H](C)O ZINC000408136655 287203910 /nfs/dbraw/zinc/20/39/10/287203910.db2.gz GJBXPTYXCBSXBM-ZIAGYGMSSA-N 0 0 321.487 0.596 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)NCCCn2cc(CO)nn2)n1 ZINC000358789166 287213532 /nfs/dbraw/zinc/21/35/32/287213532.db2.gz HFHUMUVAZXUARX-SNVBAGLBSA-N 0 0 324.410 0.986 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000375116619 287227176 /nfs/dbraw/zinc/22/71/76/287227176.db2.gz WHHQQBDAQGAWNK-IUODEOHRSA-N 0 0 313.398 0.348 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nc(C)c(C)nc2C)C1 ZINC000375119499 287227368 /nfs/dbraw/zinc/22/73/68/287227368.db2.gz DNOBNEMNUGRMFV-LLVKDONJSA-N 0 0 312.395 0.166 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000404896062 287232698 /nfs/dbraw/zinc/23/26/98/287232698.db2.gz ANLLXDCFKRLQJH-SNVBAGLBSA-N 0 0 300.355 0.891 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000541508722 412298837 /nfs/dbraw/zinc/29/88/37/412298837.db2.gz LFDHIUHQRLRXCO-UHFFFAOYSA-N 0 0 324.385 0.356 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2ncccc2Br)C1 ZINC000383427690 685242742 /nfs/dbraw/zinc/24/27/42/685242742.db2.gz BKFIFOCFZYILLJ-NSHDSACASA-N 0 0 300.156 0.266 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC1 ZINC000015421128 415150709 /nfs/dbraw/zinc/15/07/09/415150709.db2.gz MAWAXZAUTCIEHU-UHFFFAOYSA-N 0 0 323.780 0.761 10 0 DCAERN CC(=O)N[C@H](C(=O)NC1CCN(C(=O)C(C)C)CC1)C(C)C ZINC000025246421 415163519 /nfs/dbraw/zinc/16/35/19/415163519.db2.gz QALRJIIVBWMNBV-AWEZNQCLSA-N 0 0 311.426 0.910 10 0 DCAERN COCC(=O)N1CC[C@H]2NC(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004236349 415128338 /nfs/dbraw/zinc/12/83/38/415128338.db2.gz ZNKHLFPOARKJIU-YPMHNXCESA-N 0 0 303.318 0.359 10 0 DCAERN CCOc1ccccc1CCC(=O)NCCNS(C)(=O)=O ZINC000029681522 415176958 /nfs/dbraw/zinc/17/69/58/415176958.db2.gz YAUFMGFOQYAOLQ-UHFFFAOYSA-N 0 0 314.407 0.683 10 0 DCAERN CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccccc2N)C1 ZINC000342504659 415194495 /nfs/dbraw/zinc/19/44/95/415194495.db2.gz RSLBLRNJPASLQY-LBPRGKRZSA-N 0 0 311.407 0.758 10 0 DCAERN NC(=O)C[C@@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832844 415198212 /nfs/dbraw/zinc/19/82/12/415198212.db2.gz STVCGBTVCPOJEZ-SNVBAGLBSA-N 0 0 301.293 0.149 10 0 DCAERN CN(CC(=O)NC(C)(C)C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000051905883 415319638 /nfs/dbraw/zinc/31/96/38/415319638.db2.gz HMPFQHRWGCFTIH-UHFFFAOYSA-N 0 0 309.414 0.225 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)N[C@H]2CCCOCC2)CCN1C ZINC000275386667 415378136 /nfs/dbraw/zinc/37/81/36/415378136.db2.gz AJGHAOFMYMQMNZ-KBPBESRZSA-N 0 0 321.425 0.987 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081486861 415482390 /nfs/dbraw/zinc/48/23/90/415482390.db2.gz AEGFKFDCMOHUCJ-CABZTGNLSA-N 0 0 323.315 0.706 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000343177839 415487627 /nfs/dbraw/zinc/48/76/27/415487627.db2.gz XQCFOZNKIVOZGI-VXGBXAGGSA-N 0 0 317.411 0.888 10 0 DCAERN CO[C@](C)(CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C1CC1 ZINC000332878305 415501840 /nfs/dbraw/zinc/50/18/40/415501840.db2.gz UTJZLLYWJQCXON-IIAWOOMASA-N 0 0 311.426 0.916 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)CCC(=O)N1CCOCC1 ZINC000075132258 415438312 /nfs/dbraw/zinc/43/83/12/415438312.db2.gz SWWVHRFXAOQULA-MRXNPFEDSA-N 0 0 314.426 0.929 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc(F)cc3n[nH]nc32)CC1=O ZINC000332687387 415442210 /nfs/dbraw/zinc/44/22/10/415442210.db2.gz OSHQIDDWPRPVMD-JWKOBGCHSA-N 0 0 317.324 0.836 10 0 DCAERN C[C@H](NC(=O)CNC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000075385508 415444648 /nfs/dbraw/zinc/44/46/48/415444648.db2.gz GGPBDRDBTLAQHK-ZETCQYMHSA-N 0 0 307.285 0.721 10 0 DCAERN Cn1cc(S(=O)(=O)NCCN2CCOc3ccccc32)cn1 ZINC000075637787 415452538 /nfs/dbraw/zinc/45/25/38/415452538.db2.gz WBVHOMUMLIYEKW-UHFFFAOYSA-N 0 0 322.390 0.597 10 0 DCAERN CN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccccc1 ZINC000332753228 415461812 /nfs/dbraw/zinc/46/18/12/415461812.db2.gz GLSGNWNSNJJYHC-KKUMJFAQSA-N 0 0 322.430 0.983 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332755926 415466591 /nfs/dbraw/zinc/46/65/91/415466591.db2.gz KUIXMWBODSDWFS-RYUDHWBXSA-N 0 0 321.381 0.562 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000343135030 415468087 /nfs/dbraw/zinc/46/80/87/415468087.db2.gz HLLFYCGTLYUHCA-UHFFFAOYSA-N 0 0 311.426 0.662 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCOCC1CC1 ZINC000088793107 415516205 /nfs/dbraw/zinc/51/62/05/415516205.db2.gz GZWVEDXJAZPQSI-NEPJUHHUSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCc2nnc3ccccn32)C1 ZINC000088767571 415517319 /nfs/dbraw/zinc/51/73/19/415517319.db2.gz BVODLNKPWTYYAS-NSHDSACASA-N 0 0 309.395 0.796 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C)C[C@H](C)S1(=O)=O ZINC000333005189 415528436 /nfs/dbraw/zinc/52/84/36/415528436.db2.gz YPPBTIYYMSTAPI-WHOHXGKFSA-N 0 0 304.412 0.771 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108662 415561001 /nfs/dbraw/zinc/56/10/01/415561001.db2.gz DOZOQGVPBQLHON-LXTVHRRPSA-N 0 0 316.467 0.893 10 0 DCAERN O=C1C[C@@H](N2CCc3cncnc3C2)C(=O)N1CC(F)(F)F ZINC000333373580 415628962 /nfs/dbraw/zinc/62/89/62/415628962.db2.gz ZZMGWPGVIOEDOU-SNVBAGLBSA-N 0 0 314.267 0.525 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333379797 415629044 /nfs/dbraw/zinc/62/90/44/415629044.db2.gz XHUZXDLDNMQGDT-WDEREUQCSA-N 0 0 300.384 0.493 10 0 DCAERN c1cn2c(n1)CN(c1nccc(N[C@H]3CCCOC3)n1)CC2 ZINC000333185920 415580397 /nfs/dbraw/zinc/58/03/97/415580397.db2.gz UFQYXUSIXGROLQ-LBPRGKRZSA-N 0 0 300.366 1.284 10 0 DCAERN O=C([C@H]1CCN1S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000097134246 415584513 /nfs/dbraw/zinc/58/45/13/415584513.db2.gz MNQWLOHAJWUYOV-CYBMUJFWSA-N 0 0 310.375 0.308 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333220964 415585383 /nfs/dbraw/zinc/58/53/83/415585383.db2.gz WNTQQXIOFRYDBH-MQYQWHSLSA-N 0 0 302.440 0.815 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997303 415593008 /nfs/dbraw/zinc/59/30/08/415593008.db2.gz IEKPSRMFSBDRRO-WOSRLPQWSA-N 0 0 318.373 0.758 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000283997313 415594133 /nfs/dbraw/zinc/59/41/33/415594133.db2.gz IEKPSRMFSBDRRO-ZENOOKHLSA-N 0 0 318.373 0.758 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000107214286 415659058 /nfs/dbraw/zinc/65/90/58/415659058.db2.gz ZDSBWZWNXFLITA-UHFFFAOYSA-N 0 0 324.362 0.406 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)C(N)=O ZINC000107185274 415660182 /nfs/dbraw/zinc/66/01/82/415660182.db2.gz DSUCDNSCHVBPFS-BLLLJJGKSA-N 0 0 304.346 0.784 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000112829219 415716433 /nfs/dbraw/zinc/71/64/33/415716433.db2.gz HPUFRMPMALLZOL-NWDGAFQWSA-N 0 0 304.412 0.991 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC000333748178 415730683 /nfs/dbraw/zinc/73/06/83/415730683.db2.gz SIQSYBFMSUJIJS-NEPJUHHUSA-N 0 0 305.382 0.803 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112065265 415700592 /nfs/dbraw/zinc/70/05/92/415700592.db2.gz GXQVFWRXPJTYGT-CQSZACIVSA-N 0 0 322.409 0.725 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)C(N)=O ZINC000112194862 415709665 /nfs/dbraw/zinc/70/96/65/415709665.db2.gz LLVKJGMUNRZAGG-NSHDSACASA-N 0 0 311.288 0.838 10 0 DCAERN Cn1ncc2c1C[C@@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000289761492 415714478 /nfs/dbraw/zinc/71/44/78/415714478.db2.gz PFVXOETVOSSFQQ-SMDDNHRTSA-N 0 0 314.393 0.748 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000120256286 415760071 /nfs/dbraw/zinc/76/00/71/415760071.db2.gz ZMDWNZQUYVGVPW-NSHDSACASA-N 0 0 309.366 0.297 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000120319862 415763381 /nfs/dbraw/zinc/76/33/81/415763381.db2.gz JWZDWKDPWYXLOI-QWRGUYRKSA-N 0 0 321.381 0.392 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2cccc3[nH]ccc32)CCC1=O ZINC000120517578 415770682 /nfs/dbraw/zinc/77/06/82/415770682.db2.gz OHRVJGRSTYJEGV-JTQLQIEISA-N 0 0 314.345 0.843 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1cc(-c2nccn2C)[nH]n1)C(C)C ZINC000119693553 415750872 /nfs/dbraw/zinc/75/08/72/415750872.db2.gz WHMPNBISUZRPTQ-GFCCVEGCSA-N 0 0 304.354 0.909 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1C ZINC000122335089 415833622 /nfs/dbraw/zinc/83/36/22/415833622.db2.gz SMWTZCBBYJQHIF-GFCCVEGCSA-N 0 0 324.402 0.887 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123326711 415841945 /nfs/dbraw/zinc/84/19/45/415841945.db2.gz HGJBEKOVRKNFAW-UONOGXRCSA-N 0 0 319.471 0.352 10 0 DCAERN CC(=O)CCN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000120752871 415783427 /nfs/dbraw/zinc/78/34/27/415783427.db2.gz HHUCVFCKSNMWTP-UHFFFAOYSA-N 0 0 303.406 0.900 10 0 DCAERN CN1Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3CO)cc2C1 ZINC000120926487 415790350 /nfs/dbraw/zinc/79/03/50/415790350.db2.gz BJJRRULUTALPOB-AWEZNQCLSA-N 0 0 303.362 0.554 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000336699719 415815663 /nfs/dbraw/zinc/81/56/63/415815663.db2.gz DCQIZUNMRXJUFY-LSDHHAIUSA-N 0 0 320.389 0.643 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121775775 415816952 /nfs/dbraw/zinc/81/69/52/415816952.db2.gz ZWWJPRZYFPNVLE-SNVBAGLBSA-N 0 0 308.386 0.956 10 0 DCAERN CCCN(CC(=O)NC)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000121833512 415820572 /nfs/dbraw/zinc/82/05/72/415820572.db2.gz AAMUTPMPGJNXRB-UHFFFAOYSA-N 0 0 319.365 0.826 10 0 DCAERN CN(C(=O)NC1CCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336837734 415829114 /nfs/dbraw/zinc/82/91/14/415829114.db2.gz ZPISVXSQAPCEJW-LBPRGKRZSA-N 0 0 303.428 0.994 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1=O ZINC000295073927 415878895 /nfs/dbraw/zinc/87/88/95/415878895.db2.gz YWVQJIJIEMIXNG-XHDPSFHLSA-N 0 0 305.334 0.270 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N(C)C)n1 ZINC000129538847 415908866 /nfs/dbraw/zinc/90/88/66/415908866.db2.gz RITDLQHBFMKTNM-UHFFFAOYSA-N 0 0 317.349 0.741 10 0 DCAERN Cc1cc(N2CCO[C@H](C)[C@H]2C(N)=O)nc(-c2ccccn2)n1 ZINC000296230947 415914275 /nfs/dbraw/zinc/91/42/75/415914275.db2.gz HMSRAKCYDDNFCJ-RISCZKNCSA-N 0 0 313.361 0.926 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@@H]2O)[C@H](C)CO1 ZINC000124951834 415857174 /nfs/dbraw/zinc/85/71/74/415857174.db2.gz RXXLLTXIAVCRPL-MQYQWHSLSA-N 0 0 320.455 0.871 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000133372858 415944277 /nfs/dbraw/zinc/94/42/77/415944277.db2.gz HXDZJPOOVTUDCI-STQMWFEESA-N 0 0 309.410 0.905 10 0 DCAERN COCCCCS(=O)(=O)NCC(=O)Nc1ccccc1 ZINC000134117163 415953964 /nfs/dbraw/zinc/95/39/64/415953964.db2.gz JVSXIBLQFUPOQL-UHFFFAOYSA-N 0 0 300.380 0.971 10 0 DCAERN CC(C)C[C@@H](C)OCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000152388983 415965401 /nfs/dbraw/zinc/96/54/01/415965401.db2.gz PTSAXFXLLPYORJ-LLVKDONJSA-N 0 0 311.382 0.864 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@H]1C ZINC000153115042 415975133 /nfs/dbraw/zinc/97/51/33/415975133.db2.gz PHTZYBBBZUWICQ-NXEZZACHSA-N 0 0 306.370 0.205 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000153291436 415979054 /nfs/dbraw/zinc/97/90/54/415979054.db2.gz XZRUDXBLXMWAGQ-QWHCGFSZSA-N 0 0 303.362 0.081 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCS1(=O)=O ZINC000153397950 415980923 /nfs/dbraw/zinc/98/09/23/415980923.db2.gz TYFGHKYKROHGPR-JTQLQIEISA-N 0 0 320.374 0.731 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)[C@]3(C)CCCO3)C2=O)n1 ZINC000153524655 415982486 /nfs/dbraw/zinc/98/24/86/415982486.db2.gz XAKMKFDQNOGTKH-NHYWBVRUSA-N 0 0 306.366 0.601 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000154948046 415991371 /nfs/dbraw/zinc/99/13/71/415991371.db2.gz WOGAEFHYWAUWGE-LBPRGKRZSA-N 0 0 318.308 0.220 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000155310445 415996364 /nfs/dbraw/zinc/99/63/64/415996364.db2.gz GJTLBUDQYMCTLD-GWCFXTLKSA-N 0 0 319.361 0.213 10 0 DCAERN CC1CCC(O)(CN2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000156146933 415997448 /nfs/dbraw/zinc/99/74/48/415997448.db2.gz ZYINBIVSNIKJIB-UHFFFAOYSA-N 0 0 323.437 0.350 10 0 DCAERN COCCCCS(=O)(=O)NCc1ccc(C(N)=O)cc1 ZINC000132743464 415935724 /nfs/dbraw/zinc/93/57/24/415935724.db2.gz HEZCXYAZEBYGBP-UHFFFAOYSA-N 0 0 300.380 0.632 10 0 DCAERN CC(=O)NCCc1noc(C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000357228091 416047953 /nfs/dbraw/zinc/04/79/53/416047953.db2.gz PYQXHTWWXGNVNN-UHFFFAOYSA-N 0 0 305.338 0.931 10 0 DCAERN COCc1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)no1 ZINC000173092923 416052546 /nfs/dbraw/zinc/05/25/46/416052546.db2.gz KSGIKTFHBZHWBT-LLVKDONJSA-N 0 0 307.310 0.461 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)nc1 ZINC000173173232 416054133 /nfs/dbraw/zinc/05/41/33/416054133.db2.gz SFJOJWUDKPJRIQ-HNNXBMFYSA-N 0 0 318.421 0.806 10 0 DCAERN Nc1nc(N)nc(CN2CCC[C@H]2C(=O)Nc2nccs2)n1 ZINC000173390684 416056804 /nfs/dbraw/zinc/05/68/04/416056804.db2.gz BXWACVKJWKWKJE-ZETCQYMHSA-N 0 0 320.382 0.096 10 0 DCAERN CC(C)(NCC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000173423820 416058370 /nfs/dbraw/zinc/05/83/70/416058370.db2.gz DEILFFVKOTVIJF-SNVBAGLBSA-N 0 0 310.423 0.692 10 0 DCAERN CCN(C)S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000173506704 416060199 /nfs/dbraw/zinc/06/01/99/416060199.db2.gz HDVLBQQKGUQIAF-SNVBAGLBSA-N 0 0 317.415 0.253 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000173515352 416060931 /nfs/dbraw/zinc/06/09/31/416060931.db2.gz VYGFAJMTSOIZIO-GFCCVEGCSA-N 0 0 304.354 0.527 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000173676765 416063563 /nfs/dbraw/zinc/06/35/63/416063563.db2.gz XVOVRESWVBIWFJ-MRVPVSSYSA-N 0 0 307.276 0.165 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173867074 416068443 /nfs/dbraw/zinc/06/84/43/416068443.db2.gz GKQMSRSTEXTENJ-RRFJBIMHSA-N 0 0 314.426 0.607 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173978229 416069381 /nfs/dbraw/zinc/06/93/81/416069381.db2.gz JGSHEGNRRJGNAU-AWEZNQCLSA-N 0 0 304.394 0.694 10 0 DCAERN CCOC(=O)CCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173929776 416070329 /nfs/dbraw/zinc/07/03/29/416070329.db2.gz FMOVQEAUHLPDMS-GFCCVEGCSA-N 0 0 309.370 0.968 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOC[C@@H]1c1ccc(C)o1 ZINC000357384244 416070858 /nfs/dbraw/zinc/07/08/58/416070858.db2.gz SWZMJXMPFQSBIB-MGPQQGTHSA-N 0 0 322.361 0.470 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000300160068 416072359 /nfs/dbraw/zinc/07/23/59/416072359.db2.gz DITBSWOOVLIHFI-WYUUTHIRSA-N 0 0 305.396 0.815 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC000174006203 416072756 /nfs/dbraw/zinc/07/27/56/416072756.db2.gz LNVIXWSDSKTXNT-SECBINFHSA-N 0 0 315.377 0.892 10 0 DCAERN CCCS(=O)(=O)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000174175280 416074421 /nfs/dbraw/zinc/07/44/21/416074421.db2.gz OJTNNCXBYZJDNX-HNNXBMFYSA-N 0 0 318.483 0.998 10 0 DCAERN Cc1cc(NCCNc2ncnc3nc[nH]c32)n2ncnc2n1 ZINC000301128154 416075321 /nfs/dbraw/zinc/07/53/21/416075321.db2.gz PNLBXUPERWMBFX-UHFFFAOYSA-N 0 0 310.325 0.623 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000174217326 416075508 /nfs/dbraw/zinc/07/55/08/416075508.db2.gz UCCVNVJOWRWNPW-JTQLQIEISA-N 0 0 322.394 0.853 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159077420 416007769 /nfs/dbraw/zinc/00/77/69/416007769.db2.gz YFMTUVANCKEBOG-CYBMUJFWSA-N 0 0 310.350 0.641 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000337793230 416010692 /nfs/dbraw/zinc/01/06/92/416010692.db2.gz BXTTZTYJATZGDF-DGCLKSJQSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1nc(N)nc(C)c1C(=O)NC[C@@H](C)N1CCCCC1=O ZINC000357003882 416019101 /nfs/dbraw/zinc/01/91/01/416019101.db2.gz RMODOUSKMWLAPV-SECBINFHSA-N 0 0 305.382 0.806 10 0 DCAERN Cc1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)ccc1F ZINC000174478390 416079123 /nfs/dbraw/zinc/07/91/23/416079123.db2.gz HXEYKPQAHLKINT-INIZCTEOSA-N 0 0 310.369 0.947 10 0 DCAERN CC(=O)NCCCN(C)c1cnn(C)c(=O)c1Br ZINC000301291522 416079238 /nfs/dbraw/zinc/07/92/38/416079238.db2.gz PNUJCYZGEOJIOK-UHFFFAOYSA-N 0 0 317.187 0.505 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000171012211 416037036 /nfs/dbraw/zinc/03/70/36/416037036.db2.gz PQPRPBMLCXUAKL-NEPJUHHUSA-N 0 0 312.414 0.553 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC000345065982 416038757 /nfs/dbraw/zinc/03/87/57/416038757.db2.gz VFDFLQGSMVEHPA-JQWIXIFHSA-N 0 0 308.382 0.661 10 0 DCAERN COc1ccnc(N2CCN(c3cncc(OC)n3)CC2)n1 ZINC000301317339 416082397 /nfs/dbraw/zinc/08/23/97/416082397.db2.gz OJUQQBSTDBUDCU-UHFFFAOYSA-N 0 0 302.338 0.610 10 0 DCAERN NC(=O)c1cncc(N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000301543144 416087467 /nfs/dbraw/zinc/08/74/67/416087467.db2.gz VZRVBNSKYJJUDV-UHFFFAOYSA-N 0 0 317.393 0.804 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCC1(O)CCOCC1)c1ccccc1 ZINC000174806629 416088271 /nfs/dbraw/zinc/08/82/71/416088271.db2.gz SWQARBQJTJBVID-HNNXBMFYSA-N 0 0 320.389 0.912 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000174993015 416092280 /nfs/dbraw/zinc/09/22/80/416092280.db2.gz IDFSHRJENWOLTR-GFCCVEGCSA-N 0 0 316.427 0.148 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnccn3)C2=O)n(C)n1 ZINC000175019830 416094644 /nfs/dbraw/zinc/09/46/44/416094644.db2.gz VFQOZTBOZXQTNK-NSHDSACASA-N 0 0 314.349 0.444 10 0 DCAERN COCCC(=O)N1CCN(c2nccn3nc(C)cc23)CC1 ZINC000302857432 416100862 /nfs/dbraw/zinc/10/08/62/416100862.db2.gz SMLBWFYFYDAQSE-UHFFFAOYSA-N 0 0 303.366 0.723 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000175306724 416102378 /nfs/dbraw/zinc/10/23/78/416102378.db2.gz MTBUDNYZXVYRGU-CYBMUJFWSA-N 0 0 316.361 0.696 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)C1 ZINC000175298792 416103153 /nfs/dbraw/zinc/10/31/53/416103153.db2.gz WJOLGWUZVOICGL-GRYCIOLGSA-N 0 0 303.428 0.597 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000357608117 416105381 /nfs/dbraw/zinc/10/53/81/416105381.db2.gz PSNWFBGDPUJDTO-YUELXQCFSA-N 0 0 318.373 0.998 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000175411436 416105979 /nfs/dbraw/zinc/10/59/79/416105979.db2.gz ITJLINDYDJJBFW-SNVBAGLBSA-N 0 0 309.316 0.750 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@](O)(CO)C2)C1 ZINC000313651168 416109173 /nfs/dbraw/zinc/10/91/73/416109173.db2.gz BEAMIORZFKSDEQ-XQQFMLRXSA-N 0 0 306.428 0.028 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCC(=O)c2ccccc2)[C@H](C)C1 ZINC000357635914 416109731 /nfs/dbraw/zinc/10/97/31/416109731.db2.gz PJZOCPPIUVLBBV-CYBMUJFWSA-N 0 0 317.389 0.538 10 0 DCAERN O=C(NCCc1cn[nH]c1)NCc1nnc2n1CCCCC2 ZINC000357656732 416110727 /nfs/dbraw/zinc/11/07/27/416110727.db2.gz YATDHFCTPXKLBG-UHFFFAOYSA-N 0 0 303.370 0.770 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(C)C(=O)C1 ZINC000175862734 416114610 /nfs/dbraw/zinc/11/46/10/416114610.db2.gz NNUWUCNLYYEMHI-SNVBAGLBSA-N 0 0 307.398 0.452 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)c1cnn(C)c1C ZINC000175943252 416117018 /nfs/dbraw/zinc/11/70/18/416117018.db2.gz WMLDAAGIMFWKDB-SECBINFHSA-N 0 0 302.400 0.187 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000176090892 416119468 /nfs/dbraw/zinc/11/94/68/416119468.db2.gz RRVXNILPLOVROG-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN COC[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000176400844 416125751 /nfs/dbraw/zinc/12/57/51/416125751.db2.gz NOGSOCOYNOMJBN-CHWSQXEVSA-N 0 0 309.414 0.971 10 0 DCAERN NC(=O)[C@@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCO1 ZINC000328655806 416126193 /nfs/dbraw/zinc/12/61/93/416126193.db2.gz YSHBRTKVFCOAQU-QWRGUYRKSA-N 0 0 307.354 0.808 10 0 DCAERN Cn1cc(Cl)cc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000176482577 416127579 /nfs/dbraw/zinc/12/75/79/416127579.db2.gz CXPFBVVLVNPCPU-CQSZACIVSA-N 0 0 315.801 0.492 10 0 DCAERN CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000176649503 416131326 /nfs/dbraw/zinc/13/13/26/416131326.db2.gz ZIVSORUIHRVFHI-CYBMUJFWSA-N 0 0 318.377 0.725 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328856753 416135801 /nfs/dbraw/zinc/13/58/01/416135801.db2.gz DBVKEACYQJVDGB-ILXRZTDVSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CCO1 ZINC000357819307 416136623 /nfs/dbraw/zinc/13/66/23/416136623.db2.gz WBQLDPHXCPQXJT-UXIGCNINSA-N 0 0 320.393 0.577 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)[C@H](C)C1 ZINC000357831853 416137865 /nfs/dbraw/zinc/13/78/65/416137865.db2.gz GNRDDKZAPSUANQ-WDEREUQCSA-N 0 0 319.427 0.072 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCOC(C)(C)[C@@H]2C)C1 ZINC000357834415 416140373 /nfs/dbraw/zinc/14/03/73/416140373.db2.gz LACOFOSUDPDQKD-NWDGAFQWSA-N 0 0 312.414 0.999 10 0 DCAERN C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177668965 416149222 /nfs/dbraw/zinc/14/92/22/416149222.db2.gz PPWXJKGOXXEJKP-QWHCGFSZSA-N 0 0 319.409 0.753 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000177870603 416152470 /nfs/dbraw/zinc/15/24/70/416152470.db2.gz LHFRTRLNXGVZHD-YPMHNXCESA-N 0 0 304.346 0.969 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)COC ZINC000177972626 416153935 /nfs/dbraw/zinc/15/39/35/416153935.db2.gz RBECXXHHWLRDTH-GHMZBOCLSA-N 0 0 311.386 0.841 10 0 DCAERN CC(C)C[C@H](CO)NC(=O)NCc1cccnc1-n1cncn1 ZINC000177928773 416155086 /nfs/dbraw/zinc/15/50/86/416155086.db2.gz JXDJIFOUQAPZHU-CYBMUJFWSA-N 0 0 318.381 0.869 10 0 DCAERN CC(=O)Nc1cc(C(=O)NC[C@H]2CN3CCN2CC3)ccc1F ZINC000178631498 416167948 /nfs/dbraw/zinc/16/79/48/416167948.db2.gz SYABVUZDBRBIRN-ZDUSSCGKSA-N 0 0 320.368 0.514 10 0 DCAERN CCOc1c(F)cccc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178720153 416171211 /nfs/dbraw/zinc/17/12/11/416171211.db2.gz WKDDJLQMWDKVMF-LBPRGKRZSA-N 0 0 307.369 0.954 10 0 DCAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000329505113 416173154 /nfs/dbraw/zinc/17/31/54/416173154.db2.gz ILWRRVODPSKFGC-CWRNSKLLSA-N 0 0 318.373 0.832 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000178819423 416173754 /nfs/dbraw/zinc/17/37/54/416173754.db2.gz CLYVNSPRGLCXSO-LLVKDONJSA-N 0 0 302.334 0.424 10 0 DCAERN CCOCCN1CCN(C(=O)NCCc2cc(C)no2)CC1 ZINC000358037511 416175128 /nfs/dbraw/zinc/17/51/28/416175128.db2.gz QJBQOCZZLPWARW-UHFFFAOYSA-N 0 0 310.398 0.889 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C)C(C)C ZINC000178932242 416178247 /nfs/dbraw/zinc/17/82/47/416178247.db2.gz MXESFWLCRUCMLM-LBPRGKRZSA-N 0 0 306.366 0.986 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178965036 416178725 /nfs/dbraw/zinc/17/87/25/416178725.db2.gz UYIVKUHDACMRJD-CYBMUJFWSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178958615 416179685 /nfs/dbraw/zinc/17/96/85/416179685.db2.gz IOGUPVROVNYFOW-ZDUSSCGKSA-N 0 0 320.368 0.189 10 0 DCAERN O=C(NCCCc1ccccn1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000179075339 416180816 /nfs/dbraw/zinc/18/08/16/416180816.db2.gz UHQQMRZTJIFYEV-LBPRGKRZSA-N 0 0 313.361 0.907 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000179154139 416182828 /nfs/dbraw/zinc/18/28/28/416182828.db2.gz GNWPPUXILCOBDJ-RZNKXZLBSA-N 0 0 316.467 0.855 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000179089092 416183263 /nfs/dbraw/zinc/18/32/63/416183263.db2.gz JAQLHQLKULZYME-BXUZGUMPSA-N 0 0 306.362 0.731 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)n1 ZINC000179377294 416187597 /nfs/dbraw/zinc/18/75/97/416187597.db2.gz PDKURDKUOCURSI-UHFFFAOYSA-N 0 0 312.289 0.612 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC000179484242 416188147 /nfs/dbraw/zinc/18/81/47/416188147.db2.gz KRYZNDNGHMRCQC-LBPRGKRZSA-N 0 0 318.381 0.296 10 0 DCAERN CC(=O)NCCCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000179718898 416192684 /nfs/dbraw/zinc/19/26/84/416192684.db2.gz KXVJBDIQWCYRJN-UHFFFAOYSA-N 0 0 302.334 0.259 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)n1 ZINC000182990450 416233999 /nfs/dbraw/zinc/23/39/99/416233999.db2.gz QDIVXFQLRSKJPT-GFCCVEGCSA-N 0 0 315.333 0.725 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC(=O)Nc3c(C)ccnc32)C1 ZINC000180856213 416201294 /nfs/dbraw/zinc/20/12/94/416201294.db2.gz RKPAYPRGEQOWPE-NSHDSACASA-N 0 0 316.361 0.934 10 0 DCAERN O=C(C[C@H]1CCOc2ccccc21)NCC(=O)N1CCOCC1 ZINC000181049121 416202239 /nfs/dbraw/zinc/20/22/39/416202239.db2.gz CVQVXPYOIIZWBF-CYBMUJFWSA-N 0 0 318.373 0.918 10 0 DCAERN Cc1noc(COCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)n1 ZINC000181186336 416204764 /nfs/dbraw/zinc/20/47/64/416204764.db2.gz YCODXWITUPRAKD-SNVBAGLBSA-N 0 0 306.326 0.767 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181382439 416205731 /nfs/dbraw/zinc/20/57/31/416205731.db2.gz GMACKGZDCYXCDU-DOMZBBRYSA-N 0 0 315.377 0.756 10 0 DCAERN Cn1cnn(CC(=O)Nc2cccc(-c3ncon3)c2)c1=O ZINC000181330049 416206717 /nfs/dbraw/zinc/20/67/17/416206717.db2.gz LSMGFBIEYUFRPT-UHFFFAOYSA-N 0 0 300.278 0.271 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCc1cn[nH]c1 ZINC000358201761 416211264 /nfs/dbraw/zinc/21/12/64/416211264.db2.gz VGMOEMHQYIPFKW-SNVBAGLBSA-N 0 0 302.400 0.417 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181727215 416211392 /nfs/dbraw/zinc/21/13/92/416211392.db2.gz UZUJUCJTURKPAO-NSHDSACASA-N 0 0 315.443 0.893 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181727194 416211947 /nfs/dbraw/zinc/21/19/47/416211947.db2.gz UZUJUCJTURKPAO-LLVKDONJSA-N 0 0 315.443 0.893 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000341623009 416216093 /nfs/dbraw/zinc/21/60/93/416216093.db2.gz KTAPHWABEQBOFF-UTUOFQBUSA-N 0 0 305.396 0.817 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccnc(N3CCN(C)CC3)c2)n1 ZINC000183006206 416234569 /nfs/dbraw/zinc/23/45/69/416234569.db2.gz AHMCIZKWWWVCFM-UHFFFAOYSA-N 0 0 317.353 0.212 10 0 DCAERN COCc1ccsc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000182992666 416234643 /nfs/dbraw/zinc/23/46/43/416234643.db2.gz PDGBXMCYGXEJQH-UHFFFAOYSA-N 0 0 309.347 0.544 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000182360316 416220207 /nfs/dbraw/zinc/22/02/07/416220207.db2.gz MYKOGVHWMDULLY-NSHDSACASA-N 0 0 313.427 0.989 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182519875 416224070 /nfs/dbraw/zinc/22/40/70/416224070.db2.gz NWQPJQBCLWVBLS-KBPBESRZSA-N 0 0 320.393 0.893 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182572663 416226191 /nfs/dbraw/zinc/22/61/91/416226191.db2.gz WSVOBCYXDUWCJI-VIFPVBQESA-N 0 0 320.271 0.162 10 0 DCAERN CC1(CNC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)COC1 ZINC000182673665 416227628 /nfs/dbraw/zinc/22/76/28/416227628.db2.gz CIUGSQUXXRQFDV-ZDUSSCGKSA-N 0 0 318.377 0.913 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccccc2OCCOC)C1 ZINC000178143194 416157831 /nfs/dbraw/zinc/15/78/31/416157831.db2.gz ZGZNOCIBPBNONH-UHFFFAOYSA-N 0 0 306.362 0.920 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000178201222 416159233 /nfs/dbraw/zinc/15/92/33/416159233.db2.gz IXBYDRNKCUVVMY-UHFFFAOYSA-N 0 0 320.393 0.563 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1 ZINC000178251929 416159501 /nfs/dbraw/zinc/15/95/01/416159501.db2.gz ZJECNIATXZUVCO-NSHDSACASA-N 0 0 302.338 0.084 10 0 DCAERN Cc1noc([C@H]2COCCN2CCn2c(C)csc2=O)n1 ZINC000185070362 416252424 /nfs/dbraw/zinc/25/24/24/416252424.db2.gz HKZLUMXRZNRGKY-LLVKDONJSA-N 0 0 310.379 0.983 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000185784611 416254637 /nfs/dbraw/zinc/25/46/37/416254637.db2.gz AFOVOCXVXSVTSW-NSHDSACASA-N 0 0 311.386 0.188 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccc([S@](C)=O)cc2)C1 ZINC000185261711 416255059 /nfs/dbraw/zinc/25/50/59/416255059.db2.gz NOUOZMZRWQDKIL-NRFANRHFSA-N 0 0 310.375 0.011 10 0 DCAERN Cc1cc(S(=O)(=O)N(C)Cc2nnnn2C)sc1C ZINC000358584368 416257602 /nfs/dbraw/zinc/25/76/02/416257602.db2.gz GABAMEWACBKLTL-UHFFFAOYSA-N 0 0 301.397 0.709 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@@H](C)O[C@@H](COC)C2)cs1 ZINC000189451022 416265690 /nfs/dbraw/zinc/26/56/90/416265690.db2.gz GXLCSJQIOHMYKP-ZYHUDNBSSA-N 0 0 313.423 0.667 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(C(C)=O)C[C@H]1C)C1CCCC1 ZINC000358690957 416269621 /nfs/dbraw/zinc/26/96/21/416269621.db2.gz OSNXGZALWOCMEM-ABAIWWIYSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000331140210 416271510 /nfs/dbraw/zinc/27/15/10/416271510.db2.gz QXMREJLBTZTEMO-GXSJLCMTSA-N 0 0 315.439 0.669 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000358440232 416238630 /nfs/dbraw/zinc/23/86/30/416238630.db2.gz ITNFSJTYEGHOIH-MXWKQRLJSA-N 0 0 304.337 0.767 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C1(O)CCC1 ZINC000192219392 416302154 /nfs/dbraw/zinc/30/21/54/416302154.db2.gz VXBHVAOJBUXNHR-ZDUSSCGKSA-N 0 0 306.337 0.958 10 0 DCAERN CCN1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 ZINC000193151469 416312044 /nfs/dbraw/zinc/31/20/44/416312044.db2.gz JXOCLLYMASOQPJ-UHFFFAOYSA-N 0 0 304.394 0.764 10 0 DCAERN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193239891 416314320 /nfs/dbraw/zinc/31/43/20/416314320.db2.gz XKCKFFHPYIODCU-LBPRGKRZSA-N 0 0 305.334 0.620 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193925370 416321105 /nfs/dbraw/zinc/32/11/05/416321105.db2.gz VFXJOMXHVRVIHC-IUCAKERBSA-N 0 0 308.313 0.272 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000190437512 416280284 /nfs/dbraw/zinc/28/02/84/416280284.db2.gz PURHVPZEKNTQPU-AAEUAGOBSA-N 0 0 318.439 0.684 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000190598078 416280872 /nfs/dbraw/zinc/28/08/72/416280872.db2.gz YBBVONJONKWQTB-STQMWFEESA-N 0 0 312.414 0.812 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000358855436 416284925 /nfs/dbraw/zinc/28/49/25/416284925.db2.gz PPYRPVDJQXMVSO-REWJHTLYSA-N 0 0 324.421 0.944 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)C[C@H]3CCCC[C@H]3O)C2)C1=O ZINC000342154676 416286803 /nfs/dbraw/zinc/28/68/03/416286803.db2.gz IQJKBOKPEFNQQF-HFAKWTLXSA-N 0 0 309.366 0.080 10 0 DCAERN CCOC[C@H](NC(=O)Nc1cnn(CC(=O)NC)c1)C(C)C ZINC000191803201 416290265 /nfs/dbraw/zinc/29/02/65/416290265.db2.gz KMCVHARIHJMQFH-LBPRGKRZSA-N 0 0 311.386 0.812 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1=O ZINC000358899298 416290859 /nfs/dbraw/zinc/29/08/59/416290859.db2.gz FXZJBYWRBODCKT-JSGCOSHPSA-N 0 0 317.389 0.930 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3cocn3)CC2)n1 ZINC000191941724 416293015 /nfs/dbraw/zinc/29/30/15/416293015.db2.gz QPPLIRJQCQFCTG-UHFFFAOYSA-N 0 0 313.365 0.982 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)[C@H](C)COC)C1 ZINC000246738410 416332229 /nfs/dbraw/zinc/33/22/29/416332229.db2.gz QJVSFCKTFQQZSW-NEPJUHHUSA-N 0 0 316.427 0.842 10 0 DCAERN C[C@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCS1(=O)=O ZINC000246953939 416332399 /nfs/dbraw/zinc/33/23/99/416332399.db2.gz FSMPAQYZLXIQJY-JSGCOSHPSA-N 0 0 308.403 0.911 10 0 DCAERN COCCN1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1C ZINC000247704038 416333077 /nfs/dbraw/zinc/33/30/77/416333077.db2.gz RMKAUUBSPNJYRG-RYUDHWBXSA-N 0 0 323.359 0.802 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000359587009 416351981 /nfs/dbraw/zinc/35/19/81/416351981.db2.gz DSKZZRNQPUZYNB-CQSZACIVSA-N 0 0 319.361 0.497 10 0 DCAERN CCn1c(C)nnc1CN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000195075210 416325265 /nfs/dbraw/zinc/32/52/65/416325265.db2.gz QSKWGEPUGNJQCT-LLVKDONJSA-N 0 0 301.416 0.120 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000225464215 416327807 /nfs/dbraw/zinc/32/78/07/416327807.db2.gz JMKRRZVGNIKMSM-LSDHHAIUSA-N 0 0 306.410 0.511 10 0 DCAERN COC[C@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000246374882 416331824 /nfs/dbraw/zinc/33/18/24/416331824.db2.gz RCHHXXMIRMPBKZ-CHWSQXEVSA-N 0 0 306.428 0.005 10 0 DCAERN C[C@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246590123 416332027 /nfs/dbraw/zinc/33/20/27/416332027.db2.gz SZJYRHJAUSUSGC-YRGRVCCFSA-N 0 0 311.426 0.741 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000360866664 416414584 /nfs/dbraw/zinc/41/45/84/416414584.db2.gz DNMXGYRBLIEHOB-VXGBXAGGSA-N 0 0 300.399 0.395 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)SC)C1 ZINC000360135763 416374055 /nfs/dbraw/zinc/37/40/55/416374055.db2.gz REJLSZFWTGTAMH-MNOVXSKESA-N 0 0 315.439 0.371 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 ZINC000360972153 416417605 /nfs/dbraw/zinc/41/76/05/416417605.db2.gz ZMPVWZKAUUKBFO-CYBMUJFWSA-N 0 0 310.375 0.782 10 0 DCAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CC(n2ccnn2)C1 ZINC000360337892 416386376 /nfs/dbraw/zinc/38/63/76/416386376.db2.gz SMRNYDAADYUGJP-UHFFFAOYSA-N 0 0 305.725 0.954 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N2CCNC(=O)[C@@H]2C)no1 ZINC000360437020 416390095 /nfs/dbraw/zinc/39/00/95/416390095.db2.gz KWWXMBSHTCTNJD-IUCAKERBSA-N 0 0 311.342 0.197 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@@]2(OC)CCOC2)C1 ZINC000360466646 416392105 /nfs/dbraw/zinc/39/21/05/416392105.db2.gz HUKBWNHAMHVXCX-WFASDCNBSA-N 0 0 313.398 0.492 10 0 DCAERN Cc1cc2ncn(C[C@@H](O)CN3CC(=O)N(C)C3)c2cc1C ZINC000360492492 416392933 /nfs/dbraw/zinc/39/29/33/416392933.db2.gz SHFFGUPEYSREER-ZDUSSCGKSA-N 0 0 302.378 0.746 10 0 DCAERN COc1ccc(CN(C)C(=O)CN2CC(=O)N(C)C2)cc1OC ZINC000360503043 416394053 /nfs/dbraw/zinc/39/40/53/416394053.db2.gz HQQBQDSJMFILRG-UHFFFAOYSA-N 0 0 321.377 0.394 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@@H](CO)O1 ZINC000360697664 416404318 /nfs/dbraw/zinc/40/43/18/416404318.db2.gz AUUUMQNSSWAFHK-GWCFXTLKSA-N 0 0 304.350 0.854 10 0 DCAERN CC[C@@H](CSC)NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000360773859 416409998 /nfs/dbraw/zinc/40/99/98/416409998.db2.gz UBBGKZDNAPVKPS-WDEREUQCSA-N 0 0 320.480 0.571 10 0 DCAERN O=C(c1ccc[nH]1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360797406 416411189 /nfs/dbraw/zinc/41/11/89/416411189.db2.gz BDEFXDPAKNNWDX-LLVKDONJSA-N 0 0 311.407 0.949 10 0 DCAERN CC[C@@H](OC)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807567 416411727 /nfs/dbraw/zinc/41/17/27/416411727.db2.gz VTLGIMHXRZBCDN-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN CO[C@@H](C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819903 416412435 /nfs/dbraw/zinc/41/24/35/416412435.db2.gz VJOIMRHGLOJSNQ-QWRGUYRKSA-N 0 0 304.412 0.342 10 0 DCAERN COC(=O)c1csc(NC(=O)N(C)Cc2nnnn2C)c1 ZINC000532884764 416462303 /nfs/dbraw/zinc/46/23/03/416462303.db2.gz TYQBEGYMPVSEQU-UHFFFAOYSA-N 0 0 310.339 0.722 10 0 DCAERN O=C(NCc1nnc2ccccn21)Nc1ccn(CC(F)F)n1 ZINC000361678325 416475329 /nfs/dbraw/zinc/47/53/29/416475329.db2.gz NMUACRHLOSWVBT-UHFFFAOYSA-N 0 0 321.291 1.513 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000458555041 416481766 /nfs/dbraw/zinc/48/17/66/416481766.db2.gz YBAIRFMBUDTYTA-PWSUYJOCSA-N 0 0 321.381 0.951 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000361361848 416431775 /nfs/dbraw/zinc/43/17/75/416431775.db2.gz MEZVKBVFCVPJIU-UHFFFAOYSA-N 0 0 323.378 0.838 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)Cn1ncc2ccccc21 ZINC000361435489 416436845 /nfs/dbraw/zinc/43/68/45/416436845.db2.gz UQZPDFOSMYAUQU-CQSZACIVSA-N 0 0 321.377 0.567 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000361546157 416446471 /nfs/dbraw/zinc/44/64/71/416446471.db2.gz RHMHRPBSPHJOEL-ONGXEEELSA-N 0 0 310.375 0.331 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2cccc(N(C)C)n2)CC1 ZINC000361938892 416526174 /nfs/dbraw/zinc/52/61/74/416526174.db2.gz USGNSMICXYOOII-UHFFFAOYSA-N 0 0 321.381 0.470 10 0 DCAERN Cn1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)n1 ZINC000536573389 416545738 /nfs/dbraw/zinc/54/57/38/416545738.db2.gz XBVIMHPORYUHOB-UHFFFAOYSA-N 0 0 311.345 0.837 10 0 DCAERN c1nnn(CCNc2nn3cc(C4CCCC4)nc3s2)n1 ZINC000436449706 416557920 /nfs/dbraw/zinc/55/79/20/416557920.db2.gz GJVALLFQZMDFPV-UHFFFAOYSA-N 0 0 304.383 1.547 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000534224259 416495328 /nfs/dbraw/zinc/49/53/28/416495328.db2.gz NOFVYTYYXDTUJU-LBPRGKRZSA-N 0 0 304.350 0.574 10 0 DCAERN COC[C@H](NC(=O)N1CCSC[C@H]1CCO)[C@@H]1CCCO1 ZINC000434853470 416499916 /nfs/dbraw/zinc/49/99/16/416499916.db2.gz ANWDPPFKFOEKMU-AGIUHOORSA-N 0 0 318.439 0.690 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)Nc2cn(C)nc2C(C)C)CCO1 ZINC000435190388 416512533 /nfs/dbraw/zinc/51/25/33/416512533.db2.gz FORIZXUJKROJQH-LBPRGKRZSA-N 0 0 323.397 0.912 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(C)C ZINC000435226683 416514529 /nfs/dbraw/zinc/51/45/29/416514529.db2.gz NBMUODSCTBFCFL-GFCCVEGCSA-N 0 0 305.444 0.856 10 0 DCAERN CNC(=O)[C@@H](Nc1nccc(N[C@H]2CCCOC2)n1)C(C)C ZINC000435352178 416519264 /nfs/dbraw/zinc/51/92/64/416519264.db2.gz ASSDGAKRAOVEPX-AAEUAGOBSA-N 0 0 307.398 1.250 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000361905165 416520084 /nfs/dbraw/zinc/52/00/84/416520084.db2.gz HLTHLIKNYPRJEP-MNOVXSKESA-N 0 0 308.382 0.711 10 0 DCAERN COCCn1cc(S(=O)(=O)N(C)Cc2cc(C)on2)cn1 ZINC000439086125 416606736 /nfs/dbraw/zinc/60/67/36/416606736.db2.gz PRCYDZXWUPPORC-UHFFFAOYSA-N 0 0 314.367 0.647 10 0 DCAERN CC(C)CN1C[C@@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000541755069 416612178 /nfs/dbraw/zinc/61/21/78/416612178.db2.gz IDIVQIOXJFVZDX-KBPBESRZSA-N 0 0 309.410 0.034 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1O ZINC000436715913 416567023 /nfs/dbraw/zinc/56/70/23/416567023.db2.gz MQSMWXSZFFFBJV-GHMZBOCLSA-N 0 0 322.361 0.887 10 0 DCAERN CNc1ncc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)s1 ZINC000362707496 416569876 /nfs/dbraw/zinc/56/98/76/416569876.db2.gz UBDZOZLUGCPQFN-VIFPVBQESA-N 0 0 306.395 0.927 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)NCc2ccn(C)n2)c(O)c1 ZINC000436834958 416572691 /nfs/dbraw/zinc/57/26/91/416572691.db2.gz BKBQDSLSFNHQBC-UHFFFAOYSA-N 0 0 316.361 0.870 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCSC[C@@H]1CCO ZINC000539312133 416577892 /nfs/dbraw/zinc/57/78/92/416577892.db2.gz FJHSRBPUXPDLAG-NEPJUHHUSA-N 0 0 310.423 0.776 10 0 DCAERN CCc1n[nH]cc1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000596165565 416578193 /nfs/dbraw/zinc/57/81/93/416578193.db2.gz OIZRAWUZLXYZEV-UHFFFAOYSA-N 0 0 318.381 0.753 10 0 DCAERN NC(=O)N[C@@H](CO)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437302974 416582641 /nfs/dbraw/zinc/58/26/41/416582641.db2.gz GMXAGXRJYCTRAR-ZNMIVQPWSA-N 0 0 313.357 0.841 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)NCCCCC(N)=O)c2O ZINC000543125196 416637363 /nfs/dbraw/zinc/63/73/63/416637363.db2.gz RCAQYYLRFSQNCW-UHFFFAOYSA-N 0 0 317.345 0.922 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCc1nnc(C2CCC2)n1C)C(C)C ZINC000544400355 416655886 /nfs/dbraw/zinc/65/58/86/416655886.db2.gz VFCQMROOIVQYKE-CYBMUJFWSA-N 0 0 307.398 0.860 10 0 DCAERN CC(C)c1cc(N2CCN3CCOC[C@@H]3C2)n2ncnc2n1 ZINC000544414424 416656180 /nfs/dbraw/zinc/65/61/80/416656180.db2.gz GCEQBMXKCJJKDY-LBPRGKRZSA-N 0 0 302.382 0.769 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2nnnn2C)[C@@]12CCCO2 ZINC000545356279 416674134 /nfs/dbraw/zinc/67/41/34/416674134.db2.gz SBLGIIBJNVIKJM-WDMOLILDSA-N 0 0 324.385 0.078 10 0 DCAERN CCN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCNC1=O ZINC000441526614 416675158 /nfs/dbraw/zinc/67/51/58/416675158.db2.gz TWHNGIIUZKCZAT-NSHDSACASA-N 0 0 306.366 0.558 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000442109806 416685877 /nfs/dbraw/zinc/68/58/77/416685877.db2.gz LQHZIIPNWLVDFT-LBPRGKRZSA-N 0 0 309.391 0.655 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC(F)(F)C[C@H]2CO)nc1 ZINC000368721576 416687577 /nfs/dbraw/zinc/68/75/77/416687577.db2.gz ITHPUHYXQYJSGJ-QMMMGPOBSA-N 0 0 307.322 0.196 10 0 DCAERN Cc1cnc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)nc1 ZINC000515077773 416692692 /nfs/dbraw/zinc/69/26/92/416692692.db2.gz QMVFKBQHHUNKSA-HNNXBMFYSA-N 0 0 303.366 0.595 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2cccnc2)n1 ZINC000442341843 416693337 /nfs/dbraw/zinc/69/33/37/416693337.db2.gz MAJWSOMTQCNZAA-UHFFFAOYSA-N 0 0 300.318 0.783 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000368820236 416695596 /nfs/dbraw/zinc/69/55/96/416695596.db2.gz CMMZFUFJEGVCPU-INIZCTEOSA-N 0 0 303.406 0.628 10 0 DCAERN O=C(CCNC(=O)N1CCN2CCOC[C@@H]2C1)N1CCCCC1 ZINC000368906741 416704902 /nfs/dbraw/zinc/70/49/02/416704902.db2.gz SUQVRPQWAFCNBH-AWEZNQCLSA-N 0 0 324.425 0.115 10 0 DCAERN COc1c(F)ccc(F)c1C(=O)N1CC(N2CCNC2=O)C1 ZINC000556863344 416717499 /nfs/dbraw/zinc/71/74/99/416717499.db2.gz YDDSBNSMCXXHPY-UHFFFAOYSA-N 0 0 311.288 0.823 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCCCc1nnc2ccccn21 ZINC000443016088 416724975 /nfs/dbraw/zinc/72/49/75/416724975.db2.gz VFSPYQIWWAMGOC-NSHDSACASA-N 0 0 312.395 0.616 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000516616721 416729706 /nfs/dbraw/zinc/72/97/06/416729706.db2.gz OHIFAZKAOUCWEQ-AAEUAGOBSA-N 0 0 303.318 0.552 10 0 DCAERN CO[C@H]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C)C1 ZINC000443132220 416732165 /nfs/dbraw/zinc/73/21/65/416732165.db2.gz KOUSGLPZFHPWTB-MNOVXSKESA-N 0 0 323.397 0.998 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Nc3cn(C)nn3)[C@H]2C1 ZINC000517795421 416823384 /nfs/dbraw/zinc/82/33/84/416823384.db2.gz LDCOMZJVVUBTTD-SRVKXCTJSA-N 0 0 306.370 0.584 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc2ncnn21 ZINC000558332841 416762833 /nfs/dbraw/zinc/76/28/33/416762833.db2.gz JKGKDHBKFDGQHM-JTQLQIEISA-N 0 0 305.363 0.333 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000443753068 416779077 /nfs/dbraw/zinc/77/90/77/416779077.db2.gz DHIJZJYRRCPJNA-MRXNPFEDSA-N 0 0 320.393 0.850 10 0 DCAERN O=C(CN1CCc2ccccc2C1=O)N1CC(n2ccnn2)C1 ZINC000369489225 416784435 /nfs/dbraw/zinc/78/44/35/416784435.db2.gz DMKGYWKAQGOCMO-UHFFFAOYSA-N 0 0 311.345 0.360 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2cc(C)c(C(F)(F)F)n2)CC1 ZINC000623361489 416810838 /nfs/dbraw/zinc/81/08/38/416810838.db2.gz FYZLEALLIAJURE-UHFFFAOYSA-N 0 0 318.299 0.901 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccncc1 ZINC000623364561 416812433 /nfs/dbraw/zinc/81/24/33/416812433.db2.gz DODSIWAJGKFZOG-UHFFFAOYSA-N 0 0 320.393 0.507 10 0 DCAERN O=C1CCCN1C[C@@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369698149 416817597 /nfs/dbraw/zinc/81/75/97/416817597.db2.gz UMESAKPKUOJXHX-ZDUSSCGKSA-N 0 0 320.393 0.303 10 0 DCAERN O=C(NCc1ccoc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000370055129 416875480 /nfs/dbraw/zinc/87/54/80/416875480.db2.gz HGLXZDGJVLWSPN-ZDUSSCGKSA-N 0 0 307.350 0.859 10 0 DCAERN CN1C[C@H]2CN(C(=O)Cc3c[nH]c4ncccc34)CCN2C1=O ZINC000370104455 416884266 /nfs/dbraw/zinc/88/42/66/416884266.db2.gz VTUYSTJJROBWBB-LBPRGKRZSA-N 0 0 313.361 0.684 10 0 DCAERN COC1(CO)CCN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000445222958 416890849 /nfs/dbraw/zinc/89/08/49/416890849.db2.gz LJZVHSQIUJWSSS-NSHDSACASA-N 0 0 310.398 0.832 10 0 DCAERN CCO[C@@H]1C[C@@](NS(=O)(=O)N(C)CC)(C(=O)OC)C1(C)C ZINC000444289981 416830307 /nfs/dbraw/zinc/83/03/07/416830307.db2.gz TYMIXCIWIZMHOL-ZWNOBZJWSA-N 0 0 322.427 0.519 10 0 DCAERN CC(C)n1cnc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000369855529 416838857 /nfs/dbraw/zinc/83/88/57/416838857.db2.gz HCIREYMRFNMLNH-ZDUSSCGKSA-N 0 0 320.393 0.974 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC000369858231 416839581 /nfs/dbraw/zinc/83/95/81/416839581.db2.gz WGTHQSDNVIQMQQ-NEPJUHHUSA-N 0 0 319.409 0.760 10 0 DCAERN O=C(C1CCN(c2cnccn2)CC1)N1C[C@H](F)C[C@H]1CO ZINC000444553591 416846669 /nfs/dbraw/zinc/84/66/69/416846669.db2.gz RRUNQRDVXFOUIA-OLZOCXBDSA-N 0 0 308.357 0.624 10 0 DCAERN CCOC1CC(O)(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000444611177 416852793 /nfs/dbraw/zinc/85/27/93/416852793.db2.gz RXHIRWYGJRIMPP-RFSCMCKOSA-N 0 0 320.389 0.851 10 0 DCAERN Nc1ccnc(CN2CCC[C@H]2C(=O)N2CCSCC2)n1 ZINC000370487003 416895514 /nfs/dbraw/zinc/89/55/14/416895514.db2.gz DAWMDBNKXJIGFY-NSHDSACASA-N 0 0 307.423 0.599 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@H]3[C@H](O)CCCN3C2=O)c1 ZINC000445969457 416907420 /nfs/dbraw/zinc/90/74/20/416907420.db2.gz QDJZJMDTWOTZKP-ZIAGYGMSSA-N 0 0 317.345 0.961 10 0 DCAERN COC[C@@H](C)CC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000446031874 416909254 /nfs/dbraw/zinc/90/92/54/416909254.db2.gz RTTYJZJVLDSGQL-ZDUSSCGKSA-N 0 0 321.425 0.864 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(c2ncns2)CC1)C(C)C ZINC000615811119 416917430 /nfs/dbraw/zinc/91/74/30/416917430.db2.gz NPZLDXKFOSQMOV-LLVKDONJSA-N 0 0 311.411 0.347 10 0 DCAERN Cn1cc([C@@H](NC(=O)N[C@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000446308731 416921219 /nfs/dbraw/zinc/92/12/19/416921219.db2.gz ZBWYUJYUSPZRKM-WCBMZHEXSA-N 0 0 319.287 0.601 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1N1CCOCC1 ZINC000372017131 416925804 /nfs/dbraw/zinc/92/58/04/416925804.db2.gz LOZRLFIUPHXFMI-HZSPNIEDSA-N 0 0 309.410 0.082 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2CCO ZINC000632139745 416926146 /nfs/dbraw/zinc/92/61/46/416926146.db2.gz UTQMZKSRVJOKGD-HIFRSBDPSA-N 0 0 320.393 0.380 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000615939406 416938728 /nfs/dbraw/zinc/93/87/28/416938728.db2.gz WAGTWIAHEDNGSI-YTRUQHMWSA-N 0 0 301.412 0.683 10 0 DCAERN COC(=O)c1ccc(OCCNC(=O)N(C)CCCO)cc1 ZINC000521762121 417026756 /nfs/dbraw/zinc/02/67/56/417026756.db2.gz UONMLAIPABBSFA-UHFFFAOYSA-N 0 0 310.350 0.876 10 0 DCAERN Cc1cc2c(N[C@@H]3CCN(C4CCOCC4)C3=O)nccn2n1 ZINC000376322707 417028391 /nfs/dbraw/zinc/02/83/91/417028391.db2.gz RJYGAFAQRXTZDD-CYBMUJFWSA-N 0 0 315.377 1.230 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2nc(C)no2)c1 ZINC000447135584 416968116 /nfs/dbraw/zinc/96/81/16/416968116.db2.gz FEOMCGUJLJDLKZ-UHFFFAOYSA-N 0 0 308.269 0.781 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 ZINC000447265103 416980855 /nfs/dbraw/zinc/98/08/55/416980855.db2.gz QBACHNAHEIBGFG-UHFFFAOYSA-N 0 0 311.313 0.401 10 0 DCAERN c1cnc(N2CCN(c3cc(NCC4CC4)ncn3)CC2)nn1 ZINC000624443844 417038160 /nfs/dbraw/zinc/03/81/60/417038160.db2.gz VXZBKNMCDZVULS-UHFFFAOYSA-N 0 0 312.381 0.810 10 0 DCAERN c1nc2cncc(N[C@H]3CCN(c4ccc5nncn5n4)C3)n2n1 ZINC000624534177 417056248 /nfs/dbraw/zinc/05/62/48/417056248.db2.gz VWWYTSMEQBTTPS-JTQLQIEISA-N 0 0 322.336 0.253 10 0 DCAERN CC(C)c1cc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448036387 417057057 /nfs/dbraw/zinc/05/70/57/417057057.db2.gz XVHITGVZTOKAGS-OAHLLOKOSA-N 0 0 304.350 1.085 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccnc3ccccc32)C1 ZINC000616592621 417082466 /nfs/dbraw/zinc/08/24/66/417082466.db2.gz DIBAMNNYLOWFFV-LLVKDONJSA-N 0 0 307.375 0.854 10 0 DCAERN COc1nc(N[C@H]2CCOC[C@H]2O)ncc1Br ZINC000624688559 417083023 /nfs/dbraw/zinc/08/30/23/417083023.db2.gz UPXGOOLXTCNLMS-JGVFFNPUSA-N 0 0 304.144 0.809 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616593918 417084592 /nfs/dbraw/zinc/08/45/92/417084592.db2.gz MKTBOHASHVURCC-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCC[C@H](S(N)(=O)=O)C1 ZINC000616627573 417084599 /nfs/dbraw/zinc/08/45/99/417084599.db2.gz LDRCOPRHWUKDSR-NSHDSACASA-N 0 0 321.443 0.654 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616611621 417085533 /nfs/dbraw/zinc/08/55/33/417085533.db2.gz RDNFCFJOQZQCEK-LBPRGKRZSA-N 0 0 303.405 0.884 10 0 DCAERN O=C(NC1COCCOC1)c1cncc(Br)c1 ZINC000379882782 417086792 /nfs/dbraw/zinc/08/67/92/417086792.db2.gz BWYPJUOGEYDBMV-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616663368 417089148 /nfs/dbraw/zinc/08/91/48/417089148.db2.gz KYNUQHDVCVJLMN-LLVKDONJSA-N 0 0 308.363 0.249 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616665416 417089585 /nfs/dbraw/zinc/08/95/85/417089585.db2.gz WIFIFDQQINSXBZ-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616663424 417089995 /nfs/dbraw/zinc/08/99/95/417089995.db2.gz OVODAUSKTQUOAK-AWEZNQCLSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ncccn2)C1 ZINC000616656782 417090098 /nfs/dbraw/zinc/09/00/98/417090098.db2.gz SNUYEEIEZHAVBK-GFCCVEGCSA-N 0 0 307.398 0.948 10 0 DCAERN C[C@@H]([NH2+]C1COCCOC1)c1cccc(S(N)(=O)=O)c1 ZINC000383323563 417090415 /nfs/dbraw/zinc/09/04/15/417090415.db2.gz WSBFLKZQUQYCIE-SNVBAGLBSA-N 0 0 300.380 0.400 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3ncccc3c2)C1 ZINC000616664515 417090832 /nfs/dbraw/zinc/09/08/32/417090832.db2.gz WTOOCXDQXUBZDD-CYBMUJFWSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616660763 417091604 /nfs/dbraw/zinc/09/16/04/417091604.db2.gz OQHIBOWZJGKOSA-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616657601 417091690 /nfs/dbraw/zinc/09/16/90/417091690.db2.gz FAVMSRFSRZNTDR-SECBINFHSA-N 0 0 309.388 0.105 10 0 DCAERN COC(=O)CCN(CC(=O)N(C)CC1CC1)C[C@H]1CCCO1 ZINC000524481275 417109027 /nfs/dbraw/zinc/10/90/27/417109027.db2.gz PJQHAEWQRQIUKM-CQSZACIVSA-N 0 0 312.410 0.899 10 0 DCAERN COCC1(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)CCOCC1 ZINC000616776369 417109952 /nfs/dbraw/zinc/10/99/52/417109952.db2.gz ACUDWYMHTMSCCU-AGIUHOORSA-N 0 0 309.366 0.117 10 0 DCAERN O=S(=O)(CC1CCCCC1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404116719 417119185 /nfs/dbraw/zinc/11/91/85/417119185.db2.gz GBFKEKRLHZBYLV-UONOGXRCSA-N 0 0 302.440 0.959 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1nscc1Br ZINC000404887706 417119683 /nfs/dbraw/zinc/11/96/83/417119683.db2.gz GLSBBYPVSWJHPL-YFKPBYRVSA-N 0 0 318.152 0.441 10 0 DCAERN CC(C)N1CCC[C@H](N2CCC[C@H]2CS(N)(=O)=O)C1=O ZINC000407950745 417128831 /nfs/dbraw/zinc/12/88/31/417128831.db2.gz DHVLPYNKFVIKTQ-RYUDHWBXSA-N 0 0 303.428 0.139 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)CC(C)(C)O1 ZINC000408030917 417132187 /nfs/dbraw/zinc/13/21/87/417132187.db2.gz JGYDXTPOBBNMQV-NWDGAFQWSA-N 0 0 316.423 0.560 10 0 DCAERN CN(C)C(=O)O[C@@H]1CCCN(C(=O)COCc2ccnn2C)C1 ZINC000295733847 225178208 /nfs/dbraw/zinc/17/82/08/225178208.db2.gz VDLKQXBXVQJTQC-CYBMUJFWSA-N 0 0 324.381 0.626 10 0 DCAERN COC[C@H]1CN(CC2CCS(=O)(=O)CC2)CC(C)(C)O1 ZINC000408031900 417133350 /nfs/dbraw/zinc/13/33/50/417133350.db2.gz YIZNFQMLWHLSJB-CYBMUJFWSA-N 0 0 305.440 0.937 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021890 417133759 /nfs/dbraw/zinc/13/37/59/417133759.db2.gz JYPQPLROTZNFPO-BPLDGKMQSA-N 0 0 319.409 0.382 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029431 417134706 /nfs/dbraw/zinc/13/47/06/417134706.db2.gz BUFJZTLULHAISY-MJBXVCDLSA-N 0 0 314.426 0.748 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(C(C)(C)C(N)=O)CC2)C[C@H](C)O1 ZINC000408078008 417139535 /nfs/dbraw/zinc/13/95/35/417139535.db2.gz FVGYPEVELQVNTL-CLLJXQQHSA-N 0 0 311.426 0.598 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N(C)C2(C(N)=O)CCCC2)CCO1 ZINC000408191226 417145111 /nfs/dbraw/zinc/14/51/11/417145111.db2.gz DWJLSOVKGKFNGM-GHMZBOCLSA-N 0 0 304.412 0.614 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC000408293976 417153966 /nfs/dbraw/zinc/15/39/66/417153966.db2.gz JMVXQCFLWIPCQU-UWVGGRQHSA-N 0 0 303.380 0.221 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000408381194 417159332 /nfs/dbraw/zinc/15/93/32/417159332.db2.gz IAWMQOQZUNRDNZ-JOYOIKCWSA-N 0 0 323.315 0.704 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H](C)C(=O)Cc2ccccc2)nn1 ZINC000450297535 417217332 /nfs/dbraw/zinc/21/73/32/417217332.db2.gz JVNPIMGLLBKHAW-LLVKDONJSA-N 0 0 314.345 0.797 10 0 DCAERN C[C@H](C(=O)Nc1n[nH]cc1Br)N1CCOCC1 ZINC000408465892 417163200 /nfs/dbraw/zinc/16/32/00/417163200.db2.gz JUEPZDJJHWWBND-SSDOTTSWSA-N 0 0 303.160 0.831 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638022077 417283945 /nfs/dbraw/zinc/28/39/45/417283945.db2.gz QJUHZOHJOSPJIU-KBPBESRZSA-N 0 0 319.405 0.528 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(C2N=NC(=O)O2)CC1 ZINC000632880061 417284678 /nfs/dbraw/zinc/28/46/78/417284678.db2.gz JKRKWKJKNCZRIE-NSHDSACASA-N 0 0 308.338 0.492 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cc(C)nc(COC)n2)CC12COC2 ZINC000450574336 417239302 /nfs/dbraw/zinc/23/93/02/417239302.db2.gz ZZVGCSBNOGNFKF-LBPRGKRZSA-N 0 0 321.377 0.947 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccc3nnc(C)n3n2)CC12COC2 ZINC000450565384 417239481 /nfs/dbraw/zinc/23/94/81/417239481.db2.gz QJPAMMPPHITWFZ-LLVKDONJSA-N 0 0 317.349 0.449 10 0 DCAERN CCO[C@@H](CC)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000569518219 417261524 /nfs/dbraw/zinc/26/15/24/417261524.db2.gz ZFKBXZBBMIXFBT-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127649 417300816 /nfs/dbraw/zinc/30/08/16/417300816.db2.gz AMQHVWNQJIAHTL-ZDUSSCGKSA-N 0 0 322.409 0.946 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cn3cccnc3n2)CC12COC2 ZINC000451131910 417302055 /nfs/dbraw/zinc/30/20/55/417302055.db2.gz HUBAMTMITUUSKS-ZDUSSCGKSA-N 0 0 316.361 0.741 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC1CC(F)(F)C1 ZINC000451244427 417319631 /nfs/dbraw/zinc/31/96/31/417319631.db2.gz MXXBQJWLCIJNPK-BDAKNGLRSA-N 0 0 320.336 0.994 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(CC)n1 ZINC000451251212 417325308 /nfs/dbraw/zinc/32/53/08/417325308.db2.gz YUILQMRTPORRBH-QWRGUYRKSA-N 0 0 321.377 0.830 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)C1 ZINC000622081764 417390996 /nfs/dbraw/zinc/39/09/96/417390996.db2.gz CGFAAMDGDOAWKV-ZJIFWQFVSA-N 0 0 324.421 0.633 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC000633295959 417402181 /nfs/dbraw/zinc/40/21/81/417402181.db2.gz YSVGSHKMTSVDRG-QWHCGFSZSA-N 0 0 314.407 0.033 10 0 DCAERN O=C(CC1(n2cnnn2)CCOCC1)NCC[C@H]1CC1(F)F ZINC000622206918 417418321 /nfs/dbraw/zinc/41/83/21/417418321.db2.gz PSTPUFNRCITOTI-JTQLQIEISA-N 0 0 315.324 0.730 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](C)CC)CC12COC2 ZINC000451621096 417366400 /nfs/dbraw/zinc/36/64/00/417366400.db2.gz UOJCZSFLRRCFIW-RYUDHWBXSA-N 0 0 319.423 0.874 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2(C(=O)CC)CC2)CC12COC2 ZINC000452219923 417460293 /nfs/dbraw/zinc/46/02/93/417460293.db2.gz JVSHAFXXUGNEIG-LLVKDONJSA-N 0 0 309.362 0.784 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@](C)(OC)C2CC2)CC12COC2 ZINC000452226153 417461058 /nfs/dbraw/zinc/46/10/58/417461058.db2.gz RHGFAZVGKUDASK-SWLSCSKDSA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCc2cnn(C)c2)CC12COC2 ZINC000452260542 417462015 /nfs/dbraw/zinc/46/20/15/417462015.db2.gz KTMDEBOLHZUUQJ-ZDUSSCGKSA-N 0 0 321.377 0.391 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000633647133 417469379 /nfs/dbraw/zinc/46/93/79/417469379.db2.gz DESVCVKMPHMBGQ-CJNGLKHVSA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000633690839 417481374 /nfs/dbraw/zinc/48/13/74/417481374.db2.gz JSSOUMZCYOHAOG-LBPRGKRZSA-N 0 0 317.345 0.759 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000633700779 417483622 /nfs/dbraw/zinc/48/36/22/417483622.db2.gz AKBWZYGDDZKWRH-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N1CCCCC1=O ZINC000530294757 417562143 /nfs/dbraw/zinc/56/21/43/417562143.db2.gz NQMKVDDBXQLWSG-JTQLQIEISA-N 0 0 304.350 0.311 10 0 DCAERN Cn1ncc(C(=O)NC2(c3nnn[n-]3)CC2)c1Cc1ccccc1 ZINC000574991649 417499073 /nfs/dbraw/zinc/49/90/73/417499073.db2.gz XXEJCSITLHUTES-UHFFFAOYSA-N 0 0 323.360 0.943 10 0 DCAERN CCN1C[C@@H](NC(=O)c2ccc(-n3cncn3)c(C)c2)CC1=O ZINC000452953894 417511460 /nfs/dbraw/zinc/51/14/60/417511460.db2.gz MWGFJTFJABQADS-ZDUSSCGKSA-N 0 0 313.361 0.926 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633887854 417513079 /nfs/dbraw/zinc/51/30/79/417513079.db2.gz UWHPKEZVEBSSCV-IYBDPMFKSA-N 0 0 308.378 0.893 10 0 DCAERN CCN1C[C@H](NC(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1=O ZINC000453006676 417517023 /nfs/dbraw/zinc/51/70/23/417517023.db2.gz ZTTXKNNJDVVDGX-LLVKDONJSA-N 0 0 306.366 0.558 10 0 DCAERN CO[C@]1(c2nnc(CN3CCOCC(F)(F)C3)o2)CCOC1 ZINC000644271605 417518979 /nfs/dbraw/zinc/51/89/79/417518979.db2.gz OPJXGFRQDOELIY-GFCCVEGCSA-N 0 0 319.308 0.799 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000623000337 417523128 /nfs/dbraw/zinc/52/31/28/417523128.db2.gz FGQFNEPCKIBNQQ-ZDUSSCGKSA-N 0 0 310.375 0.251 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000530460678 417577238 /nfs/dbraw/zinc/57/72/38/417577238.db2.gz VEQSIBNNUIBQKI-RYUDHWBXSA-N 0 0 304.412 0.678 10 0 DCAERN COCCNC(=O)CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439958983 287391549 /nfs/dbraw/zinc/39/15/49/287391549.db2.gz SOUJDVCEKSRQJK-UHFFFAOYSA-N 0 0 320.349 0.307 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C2(C(N)=O)CCC2)c1 ZINC000530876064 417592838 /nfs/dbraw/zinc/59/28/38/417592838.db2.gz VVVNBOBPNXUZEN-UHFFFAOYSA-N 0 0 311.363 0.189 10 0 DCAERN C[C@@]1(CNC(=O)NCC(=O)NC2CCCCC2)CCC(=O)N1 ZINC000455637007 417613448 /nfs/dbraw/zinc/61/34/48/417613448.db2.gz RYIXEGKTODVZDH-HNNXBMFYSA-N 0 0 310.398 0.403 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCO[C@@H](CO)C1)CC2 ZINC000530288614 417563285 /nfs/dbraw/zinc/56/32/85/417563285.db2.gz SPYOKNRWTBNULI-VXGBXAGGSA-N 0 0 307.394 0.858 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H]2CCSC2)CC12COC2 ZINC000454574460 417568456 /nfs/dbraw/zinc/56/84/56/417568456.db2.gz BKGBAIJCWXPCKS-WDEREUQCSA-N 0 0 314.407 0.713 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCOC1 ZINC000576622248 417623000 /nfs/dbraw/zinc/62/30/00/417623000.db2.gz HVUNQKHCTOUELZ-YVECIDJPSA-N 0 0 308.378 0.308 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccnn2CC)C1 ZINC000532595870 417683808 /nfs/dbraw/zinc/68/38/08/417683808.db2.gz QXLUCKULDYCRLL-LLVKDONJSA-N 0 0 321.381 0.359 10 0 DCAERN CCNC(=O)C(C)(C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000457288402 417700459 /nfs/dbraw/zinc/70/04/59/417700459.db2.gz BFLXSJQDAGVRRP-UHFFFAOYSA-N 0 0 308.382 0.852 10 0 DCAERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(C)Cc1nnnn1C ZINC000532062487 417654846 /nfs/dbraw/zinc/65/48/46/417654846.db2.gz FKFNPZTZCUUSAO-YPMHNXCESA-N 0 0 310.402 0.803 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000532165086 417665485 /nfs/dbraw/zinc/66/54/85/417665485.db2.gz XESQCQHZRMYSKM-BXKDBHETSA-N 0 0 316.404 0.507 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1COCCC1=O ZINC000628869770 417705993 /nfs/dbraw/zinc/70/59/93/417705993.db2.gz NEVGPQDGYYBSHJ-LSDHHAIUSA-N 0 0 316.357 0.434 10 0 DCAERN Cn1cc(Br)cc1C(=O)N[C@@H]1COCCC1=O ZINC000628868954 417706099 /nfs/dbraw/zinc/70/60/99/417706099.db2.gz DRMGRRDYQMWLCS-MRVPVSSYSA-N 0 0 301.140 0.875 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440902660 287411516 /nfs/dbraw/zinc/41/15/16/287411516.db2.gz HTMRTKHVQOLNFF-QWRGUYRKSA-N 0 0 315.439 0.898 10 0 DCAERN c1cn(Cc2ccccc2)nc1CNc1nccn2nnnc12 ZINC000580850309 417723484 /nfs/dbraw/zinc/72/34/84/417723484.db2.gz HBFCJTVINDNFMU-UHFFFAOYSA-N 0 0 306.333 1.376 10 0 DCAERN CSc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccc1F ZINC000458134235 417723744 /nfs/dbraw/zinc/72/37/44/417723744.db2.gz IQFBEOPTFKRZGP-SNVBAGLBSA-N 0 0 310.354 0.930 10 0 DCAERN CC[C@@H](OC1CCCCC1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458130878 417723863 /nfs/dbraw/zinc/72/38/63/417723863.db2.gz GAYCLRDWUJCYGD-GXTWGEPZSA-N 0 0 310.398 0.883 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458130245 417724001 /nfs/dbraw/zinc/72/40/01/417724001.db2.gz PYYGOSMWUUKQRN-LBPRGKRZSA-N 0 0 306.391 0.856 10 0 DCAERN CCOC(=O)c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458154647 417725512 /nfs/dbraw/zinc/72/55/12/417725512.db2.gz ZKWXFZXDCNOALK-CYBMUJFWSA-N 0 0 318.333 0.246 10 0 DCAERN Cc1cccc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458149552 417725778 /nfs/dbraw/zinc/72/57/78/417725778.db2.gz XVJJJLKMYSNFKJ-CQSZACIVSA-N 0 0 303.366 0.489 10 0 DCAERN CC(=O)c1cn(CC(=O)NCC(C)(C)C(=O)N2CCCC2)nn1 ZINC000629063466 417740797 /nfs/dbraw/zinc/74/07/97/417740797.db2.gz TYSYUCUQHVIIRD-UHFFFAOYSA-N 0 0 321.381 0.246 10 0 DCAERN COCc1nc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)cs1 ZINC000657605921 417882811 /nfs/dbraw/zinc/88/28/11/417882811.db2.gz VKCFPQHTLLUZSU-NXEZZACHSA-N 0 0 306.409 0.191 10 0 DCAERN CCNC(=O)CC(=O)N[C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444545072 287427311 /nfs/dbraw/zinc/42/73/11/287427311.db2.gz HUSFKMBLGJHHOB-MEBBXXQBSA-N 0 0 314.382 0.376 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000468425494 287515821 /nfs/dbraw/zinc/51/58/21/287515821.db2.gz AJXWSBCPXYNTDT-XEZPLFJOSA-N 0 0 308.378 0.267 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(C)CCCO)C[C@@H](c2ccccc2)O1 ZINC000460053622 287512599 /nfs/dbraw/zinc/51/25/99/287512599.db2.gz CRQQRAIGOHEEHW-ZFWWWQNUSA-N 0 0 320.389 0.816 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000487096005 287531861 /nfs/dbraw/zinc/53/18/61/287531861.db2.gz MOJLTUNHTDBFEP-QWRGUYRKSA-N 0 0 324.352 0.941 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc(C)s1 ZINC000488294041 287548847 /nfs/dbraw/zinc/54/88/47/287548847.db2.gz KKQLJIVLCKNLCE-SFYZADRCSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@@H]1CCOC1 ZINC000488289547 287548464 /nfs/dbraw/zinc/54/84/64/287548464.db2.gz UGAHKXGKTMXSHC-GRYCIOLGSA-N 0 0 314.382 0.376 10 0 DCAERN Cc1cnc(C)c(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000299262539 229014510 /nfs/dbraw/zinc/01/45/10/229014510.db2.gz LKIWNJBKSYCCKJ-UHFFFAOYSA-N 0 0 319.409 0.074 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC000299739129 229371380 /nfs/dbraw/zinc/37/13/80/229371380.db2.gz KWESRHSRSSPEQI-VXGBXAGGSA-N 0 0 321.381 0.500 10 0 DCAERN COc1cc(OC)c(S(=O)(=O)N2CCOCC2)c(OC)c1 ZINC000074936674 261107022 /nfs/dbraw/zinc/10/70/22/261107022.db2.gz IPKANJURPYNZKT-UHFFFAOYSA-N 0 0 317.363 0.733 10 0 DCAERN CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179170125 261111927 /nfs/dbraw/zinc/11/19/27/261111927.db2.gz AXGXJHFFYPGTDV-CHWSQXEVSA-N 0 0 305.382 0.876 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(F)(F)CO ZINC000183905283 261117396 /nfs/dbraw/zinc/11/73/96/261117396.db2.gz GFPLJHRXYRSPHJ-VIFPVBQESA-N 0 0 301.293 0.940 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000187203702 261122555 /nfs/dbraw/zinc/12/25/55/261122555.db2.gz NQIDRTYZISXDAP-RKDXNWHRSA-N 0 0 311.304 0.562 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCN1CCO ZINC000187260601 261122585 /nfs/dbraw/zinc/12/25/85/261122585.db2.gz JEZLTFANJUOSRD-GOEBONIOSA-N 0 0 305.422 0.814 10 0 DCAERN COCC(=O)N[C@H](C(=O)NC[C@@H]1CCC(C)(C)O1)C(C)C ZINC000187330211 261124094 /nfs/dbraw/zinc/12/40/94/261124094.db2.gz OBBBEXLYIWRUFC-AAEUAGOBSA-N 0 0 300.399 0.847 10 0 DCAERN C[C@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)N1CCOCC1 ZINC000188194485 261126046 /nfs/dbraw/zinc/12/60/46/261126046.db2.gz JWWRIKQQFPBWRG-CHWSQXEVSA-N 0 0 313.442 0.764 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NC(=O)c1cn2ccnc2s1 ZINC000188672685 261129274 /nfs/dbraw/zinc/12/92/74/261129274.db2.gz NYWDFLMCUPGHFR-QMMMGPOBSA-N 0 0 301.393 0.949 10 0 DCAERN O=C(NCc1nccn1C(F)F)c1cc2c(=O)[nH]cnc2cn1 ZINC000188714629 261129783 /nfs/dbraw/zinc/12/97/83/261129783.db2.gz SMQXCSXIFKQUQX-UHFFFAOYSA-N 0 0 320.259 0.840 10 0 DCAERN CCCN1CCCN(Cc2csc(CC(=O)NC)n2)CC1=O ZINC000189411327 261131226 /nfs/dbraw/zinc/13/12/26/261131226.db2.gz ASPSXCQPSGQXSD-UHFFFAOYSA-N 0 0 324.450 0.876 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H](CO)O1 ZINC000191866276 261138257 /nfs/dbraw/zinc/13/82/57/261138257.db2.gz JXFVXFKHOOVGLZ-GWCFXTLKSA-N 0 0 303.318 0.958 10 0 DCAERN CCS(=O)(=O)C1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192824736 261139502 /nfs/dbraw/zinc/13/95/02/261139502.db2.gz CKFRTLFNQNGMMC-UHFFFAOYSA-N 0 0 302.400 0.535 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000194199170 261145141 /nfs/dbraw/zinc/14/51/41/261145141.db2.gz BWPYRADEULTJFQ-CABZTGNLSA-N 0 0 308.382 0.941 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000194242856 261146071 /nfs/dbraw/zinc/14/60/71/261146071.db2.gz LHUCMWANQGAQLC-LDYMZIIASA-N 0 0 317.349 0.231 10 0 DCAERN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CNC(=O)C1 ZINC000194784812 261148446 /nfs/dbraw/zinc/14/84/46/261148446.db2.gz FOSOPNHXSHZZPL-SNVBAGLBSA-N 0 0 312.333 0.750 10 0 DCAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CNC(=O)C1 ZINC000194818178 261148890 /nfs/dbraw/zinc/14/88/90/261148890.db2.gz CDMDVGZMBUUZKS-AWEZNQCLSA-N 0 0 315.373 0.561 10 0 DCAERN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)c(C)o1 ZINC000194826671 261148908 /nfs/dbraw/zinc/14/89/08/261148908.db2.gz HXPBVGQTDZGQDI-GFCCVEGCSA-N 0 0 319.361 0.317 10 0 DCAERN Cc1cn(C)c(CC(=O)N2CCCO2)c1C(=O)N1CCCO1 ZINC000194850493 261148964 /nfs/dbraw/zinc/14/89/64/261148964.db2.gz CFGCGQSWYPIKCU-UHFFFAOYSA-N 0 0 307.350 0.817 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCOC[C@H]3C)CC2)ncn1 ZINC000194878219 261149683 /nfs/dbraw/zinc/14/96/83/261149683.db2.gz LAQJEQVKQUBLBQ-OLZOCXBDSA-N 0 0 320.393 0.806 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NCCS(=O)(=O)NC(C)C)n1 ZINC000195228069 261150819 /nfs/dbraw/zinc/15/08/19/261150819.db2.gz HCJKXYYEJNIJGS-GFCCVEGCSA-N 0 0 316.427 0.505 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000317007489 261176163 /nfs/dbraw/zinc/17/61/63/261176163.db2.gz UKQMZWFCNJXMER-CHWSQXEVSA-N 0 0 308.378 0.657 10 0 DCAERN COC(=O)c1ccc(C(=O)N(C)Cc2nnnn2C)c(F)c1 ZINC000357349254 261530314 /nfs/dbraw/zinc/53/03/14/261530314.db2.gz ASNCJFNNJMJBBJ-UHFFFAOYSA-N 0 0 307.285 0.408 10 0 DCAERN COC(=O)[C@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000357946117 261604712 /nfs/dbraw/zinc/60/47/12/261604712.db2.gz FULDOSLZTNCPBI-CQSZACIVSA-N 0 0 322.365 0.105 10 0 DCAERN CN(C)C(=O)COc1ccccc1C(=O)NC[C@H](CO)C1CC1 ZINC000358328328 261657699 /nfs/dbraw/zinc/65/76/99/261657699.db2.gz XYQYNFHHGJXQBX-CYBMUJFWSA-N 0 0 320.389 0.902 10 0 DCAERN CN1CN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1=O ZINC000360489829 261837401 /nfs/dbraw/zinc/83/74/01/261837401.db2.gz MXBVSKKINXTHPO-UHFFFAOYSA-N 0 0 319.283 0.902 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360558857 261845121 /nfs/dbraw/zinc/84/51/21/261845121.db2.gz DBFPLFOLJILPPT-ZDUSSCGKSA-N 0 0 324.402 0.511 10 0 DCAERN CC(C)OCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360823108 261880074 /nfs/dbraw/zinc/88/00/74/261880074.db2.gz CXNPUNDBIVZNKY-LBPRGKRZSA-N 0 0 318.439 0.732 10 0 DCAERN C/C=C\C[C@@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC ZINC000361563123 261938429 /nfs/dbraw/zinc/93/84/29/261938429.db2.gz LCSSKGQZDAWWTH-USEMIUTHSA-N 0 0 318.395 0.036 10 0 DCAERN CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361901358 261974378 /nfs/dbraw/zinc/97/43/78/261974378.db2.gz LBZDDXBVYHTEKT-JTQLQIEISA-N 0 0 324.381 0.940 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1cccc2c1CCO2 ZINC000362127164 262002338 /nfs/dbraw/zinc/00/23/38/262002338.db2.gz XVVGIZFRSLHILO-GHMZBOCLSA-N 0 0 304.346 0.789 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC(F)(F)F ZINC000362470793 262038858 /nfs/dbraw/zinc/03/88/58/262038858.db2.gz ZACOTWVYXJVWRU-NKWVEPMBSA-N 0 0 313.276 0.304 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccnc1 ZINC000362466960 262038866 /nfs/dbraw/zinc/03/88/66/262038866.db2.gz RBKKZQIPHBKGJO-UWVGGRQHSA-N 0 0 308.338 0.659 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363134912 262101408 /nfs/dbraw/zinc/10/14/08/262101408.db2.gz NBULKPWJVQSHNA-GXTWGEPZSA-N 0 0 322.434 0.733 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000363561372 262120614 /nfs/dbraw/zinc/12/06/14/262120614.db2.gz YLQPBCGARPJPTJ-NNYUYHANSA-N 0 0 312.366 0.383 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC(C(=O)N3CCCCC3)CC2)C1 ZINC000363681035 262127909 /nfs/dbraw/zinc/12/79/09/262127909.db2.gz YMCZRGAIWRUYNH-HNNXBMFYSA-N 0 0 323.437 0.568 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000363739521 262129353 /nfs/dbraw/zinc/12/93/53/262129353.db2.gz KZPNCIBOZPRQJM-IHRRRGAJSA-N 0 0 314.451 0.610 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000363793488 262130096 /nfs/dbraw/zinc/13/00/96/262130096.db2.gz IQZVVQDQQVZLFS-LBPRGKRZSA-N 0 0 320.393 0.642 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363860842 262135196 /nfs/dbraw/zinc/13/51/96/262135196.db2.gz VQFBCPCXYOAWKY-ZDUSSCGKSA-N 0 0 304.350 0.334 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363916216 262136715 /nfs/dbraw/zinc/13/67/15/262136715.db2.gz DSMXVSYMAKZZNJ-LBPRGKRZSA-N 0 0 304.346 0.421 10 0 DCAERN O=S(=O)(c1cc(F)ccc1F)N1CCN2CCOC[C@H]2C1 ZINC000363974852 262137885 /nfs/dbraw/zinc/13/78/85/262137885.db2.gz PENDSEYGJHAXMQ-LLVKDONJSA-N 0 0 318.345 0.670 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)N1CCN2CCOC[C@@H]2C1 ZINC000363998694 262139163 /nfs/dbraw/zinc/13/91/63/262139163.db2.gz LMZUNCPJAQKNDA-AWEZNQCLSA-N 0 0 315.377 0.560 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000364000236 262139615 /nfs/dbraw/zinc/13/96/15/262139615.db2.gz NTECGOMIJKRVDS-CQSZACIVSA-N 0 0 307.398 0.079 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)N[C@H]2C)C1 ZINC000392902790 262160847 /nfs/dbraw/zinc/16/08/47/262160847.db2.gz UHYYTCQXWZFBAR-USZNOCQGSA-N 0 0 303.428 0.466 10 0 DCAERN COC(=O)[C@H](CC(C)C)N1CCCN(S(C)(=O)=O)CC1 ZINC000411141792 262164858 /nfs/dbraw/zinc/16/48/58/262164858.db2.gz JTEGFKBOQMKICK-LBPRGKRZSA-N 0 0 306.428 0.541 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@H]([C@H](C)O)C2)c1 ZINC000412931798 262197067 /nfs/dbraw/zinc/19/70/67/262197067.db2.gz UOGMDIIXMKMRHP-WFASDCNBSA-N 0 0 307.346 0.876 10 0 DCAERN CC[C@@H](CNC(=O)N1CCN(Cc2nc(C)no2)CC1)OC ZINC000358384628 271050728 /nfs/dbraw/zinc/05/07/28/271050728.db2.gz ZOPCDAPZBRECHT-LBPRGKRZSA-N 0 0 311.386 0.630 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H](C)[C@H](C)CO)[C@H]2C1 ZINC000358929824 271082045 /nfs/dbraw/zinc/08/20/45/271082045.db2.gz FBLYZBRBAFSEQM-MFHWUAJNSA-N 0 0 311.426 0.950 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000359227276 271108538 /nfs/dbraw/zinc/10/85/38/271108538.db2.gz NDKTVJOFXKPHKG-HZSPNIEDSA-N 0 0 321.421 0.692 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000359562508 271125707 /nfs/dbraw/zinc/12/57/07/271125707.db2.gz KWTHQPJPHFTQMB-LLVKDONJSA-N 0 0 300.380 0.557 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000359596654 271129580 /nfs/dbraw/zinc/12/95/80/271129580.db2.gz MXRRYYHCLDRYHS-GFCCVEGCSA-N 0 0 304.412 0.294 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000359608850 271130840 /nfs/dbraw/zinc/13/08/40/271130840.db2.gz JJDPRGZFLABROC-ABAIWWIYSA-N 0 0 309.366 0.248 10 0 DCAERN CCC1(CC)[C@H](NC(=O)N(C)Cc2nnnn2C)C[C@H]1OC ZINC000361277098 271176746 /nfs/dbraw/zinc/17/67/46/271176746.db2.gz UBDUUBFZZORMHI-GHMZBOCLSA-N 0 0 310.402 0.945 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CCO1 ZINC000363601515 271197047 /nfs/dbraw/zinc/19/70/47/271197047.db2.gz XWGZFZCCBHODLV-NDBYEHHHSA-N 0 0 311.382 0.053 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCN4CCOC[C@H]4C3)ccc21 ZINC000363870442 271205516 /nfs/dbraw/zinc/20/55/16/271205516.db2.gz VLDHFXYJNRRVDF-CYBMUJFWSA-N 0 0 300.362 0.730 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000367501024 271209542 /nfs/dbraw/zinc/20/95/42/271209542.db2.gz UCWGQRKXGYIEEO-VXGBXAGGSA-N 0 0 306.366 0.594 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cn1 ZINC000442046155 271664448 /nfs/dbraw/zinc/66/44/48/271664448.db2.gz FVLHQFJVWHYFCN-LLVKDONJSA-N 0 0 324.406 0.304 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000442481335 271669745 /nfs/dbraw/zinc/66/97/45/271669745.db2.gz RFLVCDVZMZTIFH-VDDIYKPWSA-N 0 0 323.315 0.610 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H](C)C[S@@](C)=O)no1 ZINC000442651272 271676257 /nfs/dbraw/zinc/67/62/57/271676257.db2.gz QCBHAQCOMUBIGO-FFVOIRBGSA-N 0 0 302.400 0.933 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CC[C@H](NC(N)=O)C2)c1C ZINC000442670183 271677683 /nfs/dbraw/zinc/67/76/83/271677683.db2.gz INLDLTXWBIIXDQ-NSHDSACASA-N 0 0 304.350 0.836 10 0 DCAERN C[S@](=O)C1(CNC(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000442713424 271679983 /nfs/dbraw/zinc/67/99/83/271679983.db2.gz WPIPQEIKBHJPRQ-OVWNDWIMSA-N 0 0 306.453 0.407 10 0 DCAERN CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCO)cc1 ZINC000443276712 271705441 /nfs/dbraw/zinc/70/54/41/271705441.db2.gz YSKLNZWSXOJXMJ-UHFFFAOYSA-N 0 0 307.350 0.216 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)c1 ZINC000445969454 271751700 /nfs/dbraw/zinc/75/17/00/271751700.db2.gz QDJZJMDTWOTZKP-KBPBESRZSA-N 0 0 317.345 0.961 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000448484565 271824163 /nfs/dbraw/zinc/82/41/63/271824163.db2.gz FHFSNZLWDJHHDR-GRYCIOLGSA-N 0 0 306.366 0.630 10 0 DCAERN CC(=O)NCCN(CC[C@@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716273 271880195 /nfs/dbraw/zinc/88/01/95/271880195.db2.gz YCHSGJGOEQOBGN-VXGBXAGGSA-N 0 0 302.415 0.926 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2oc(C)nc2C)CC12COC2 ZINC000452254025 271912197 /nfs/dbraw/zinc/91/21/97/271912197.db2.gz FHNGGXQDNUDOPP-LLVKDONJSA-N 0 0 308.334 0.943 10 0 DCAERN CC[C@H](CO)N(C)C(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000452280979 271913393 /nfs/dbraw/zinc/91/33/93/271913393.db2.gz DADRNHSEDBBFEZ-LLVKDONJSA-N 0 0 300.380 0.438 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)C2 ZINC000458127691 271943826 /nfs/dbraw/zinc/94/38/26/271943826.db2.gz DAMNVEFWTCHBSP-UKRRQHHQSA-N 0 0 316.361 0.376 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)n1 ZINC000458522779 271961902 /nfs/dbraw/zinc/96/19/02/271961902.db2.gz PRBPBLPIFRFJNP-CMPLNLGQSA-N 0 0 306.366 0.586 10 0 DCAERN COc1cc(CN(C)C(=O)C(=O)N2CCOCC2)cc(OC)c1 ZINC000459805574 272009643 /nfs/dbraw/zinc/00/96/43/272009643.db2.gz BYGVQJRZMMMUHU-UHFFFAOYSA-N 0 0 322.361 0.521 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000466498429 272026457 /nfs/dbraw/zinc/02/64/57/272026457.db2.gz CAXVTUJLJCGGAX-SRVKXCTJSA-N 0 0 321.443 0.381 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC1(OC)CCC1 ZINC000487168174 272038887 /nfs/dbraw/zinc/03/88/87/272038887.db2.gz VCTAZVXZKABWDZ-QWRGUYRKSA-N 0 0 314.382 0.518 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H](CNC(N)=O)C2)[nH]n1 ZINC000487547258 272042052 /nfs/dbraw/zinc/04/20/52/272042052.db2.gz FUQNYSFGJHOXHX-PWSUYJOCSA-N 0 0 322.413 0.739 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnns1 ZINC000488719154 272048287 /nfs/dbraw/zinc/04/82/87/272048287.db2.gz YYYXWTMERIJDFR-BQBZGAKWSA-N 0 0 315.355 0.116 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccnc(C)n1 ZINC000488743484 272050195 /nfs/dbraw/zinc/05/01/95/272050195.db2.gz IKEANFWJFLCTEM-RKDXNWHRSA-N 0 0 323.353 0.363 10 0 DCAERN CCN1CCN(CC(=O)N[C@@H]2CCCC(F)(F)C2)C(=O)C1=O ZINC000488985290 272055671 /nfs/dbraw/zinc/05/56/71/272055671.db2.gz RNWLUTSCAYMWMP-SNVBAGLBSA-N 0 0 317.336 0.371 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)C(F)F)CC2 ZINC000489549443 272064028 /nfs/dbraw/zinc/06/40/28/272064028.db2.gz LLJSOROKSVWCEL-JGVFFNPUSA-N 0 0 303.313 0.081 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](CO)c1cccnc1 ZINC000490074463 272070247 /nfs/dbraw/zinc/07/02/47/272070247.db2.gz JDEKIVWGKFCLST-CABCVRRESA-N 0 0 305.378 0.675 10 0 DCAERN COCCN1CCN(C(=O)/C=C\c2cncc(O)c2)C[C@H]1C ZINC000492447950 272130336 /nfs/dbraw/zinc/13/03/36/272130336.db2.gz WHCHAGHULATBNG-DHCBQETCSA-N 0 0 305.378 0.980 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000493391712 272185560 /nfs/dbraw/zinc/18/55/60/272185560.db2.gz WPVLNKYJUZDLJS-GHMZBOCLSA-N 0 0 321.377 0.741 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@@H]2C)[C@@H](C)C1=O ZINC000494321870 272218475 /nfs/dbraw/zinc/21/84/75/272218475.db2.gz CFAOKJFBGFECCY-STQMWFEESA-N 0 0 317.455 0.904 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCSC[C@H]2CCO)n1 ZINC000494912675 272234233 /nfs/dbraw/zinc/23/42/33/272234233.db2.gz VHOHXALPLJYUCM-SNVBAGLBSA-N 0 0 310.375 0.808 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cccc2ncnn21 ZINC000526122958 272591520 /nfs/dbraw/zinc/59/15/20/272591520.db2.gz YWYABKATODUHDB-OAHLLOKOSA-N 0 0 301.350 0.860 10 0 DCAERN C[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)N1C(=O)CCC1=O ZINC000527026540 272598610 /nfs/dbraw/zinc/59/86/10/272598610.db2.gz RHAOAECYHZYTJC-BDJLRTHQSA-N 0 0 324.377 0.320 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635249 272654201 /nfs/dbraw/zinc/65/42/01/272654201.db2.gz PBRJGTZQFZIPJN-PXWWUCIGSA-N 0 0 319.361 0.137 10 0 DCAERN CCN(C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533035736 272799904 /nfs/dbraw/zinc/79/99/04/272799904.db2.gz XZAGSPUFOQSIQH-IHRRRGAJSA-N 0 0 321.439 0.052 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)OC)c1 ZINC000527505559 287695007 /nfs/dbraw/zinc/69/50/07/287695007.db2.gz QCDSMKSFXWVURU-WDEREUQCSA-N 0 0 321.377 0.914 10 0 DCAERN C[C@@H]1CN([C@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588042 274359797 /nfs/dbraw/zinc/35/97/97/274359797.db2.gz OLMKZJCWGGOELO-CJNGLKHVSA-N 0 0 303.406 0.938 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000534291809 287810288 /nfs/dbraw/zinc/81/02/88/287810288.db2.gz LQKXSQVNRGUQMA-ZYHUDNBSSA-N 0 0 314.411 0.575 10 0 DCAERN COC(=O)c1csc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000535677104 287836618 /nfs/dbraw/zinc/83/66/18/287836618.db2.gz SVFVYJCWERXEJD-MRVPVSSYSA-N 0 0 312.351 0.809 10 0 DCAERN COc1cccc(CCC(=O)N2CC[C@H](NC(N)=O)C2)c1OC ZINC000535713398 287837380 /nfs/dbraw/zinc/83/73/80/287837380.db2.gz QSQHILLLTYXQLX-LBPRGKRZSA-N 0 0 321.377 0.906 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000189914542 275780428 /nfs/dbraw/zinc/78/04/28/275780428.db2.gz QTSXAJNSVVHXLY-AWEZNQCLSA-N 0 0 317.389 0.969 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CC[C@H](NC(N)=O)C2)n1 ZINC000536526383 287855338 /nfs/dbraw/zinc/85/53/38/287855338.db2.gz XMPOYDIZLBHULS-LURJTMIESA-N 0 0 315.786 0.735 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000536687878 287861047 /nfs/dbraw/zinc/86/10/47/287861047.db2.gz QAAXQSKRCPWUEK-UHFFFAOYSA-N 0 0 323.378 0.356 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000538829487 287885615 /nfs/dbraw/zinc/88/56/15/287885615.db2.gz SSVIAFFPUAQINC-MRXNPFEDSA-N 0 0 314.389 0.878 10 0 DCAERN Cn1ncc(C(=O)N2CCN3CCOC[C@H]3C2)c1C(F)F ZINC000541755648 287925800 /nfs/dbraw/zinc/92/58/00/287925800.db2.gz UKFQYGMVMJECJC-SECBINFHSA-N 0 0 300.309 0.514 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)C1CCCC1 ZINC000172766490 277038495 /nfs/dbraw/zinc/03/84/95/277038495.db2.gz XLFXZTXVESMUIK-JKSUJKDBSA-N 0 0 323.437 0.614 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000041230964 277095118 /nfs/dbraw/zinc/09/51/18/277095118.db2.gz GKXLSLHGHNFSDX-JTQLQIEISA-N 0 0 307.316 0.561 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC000328911004 277128995 /nfs/dbraw/zinc/12/89/95/277128995.db2.gz NVOLZMURZPFUKJ-KGLIPLIRSA-N 0 0 302.378 0.899 10 0 DCAERN COC(=O)[C@@]1(C)CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000246430553 277378112 /nfs/dbraw/zinc/37/81/12/277378112.db2.gz KHDNGHRJCIAMRD-WBMJQRKESA-N 0 0 320.393 0.719 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCN(c2cnccn2)CC1 ZINC000543867848 287969336 /nfs/dbraw/zinc/96/93/36/287969336.db2.gz UCQZNSPRSVFXDS-UHFFFAOYSA-N 0 0 309.333 0.482 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000328695465 278007295 /nfs/dbraw/zinc/00/72/95/278007295.db2.gz GKKRBCWNWJJAJG-RRFJBIMHSA-N 0 0 322.405 0.984 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)C1 ZINC000329604339 278019309 /nfs/dbraw/zinc/01/93/09/278019309.db2.gz YWBAJPPUCDWOJL-VNQPRFMTSA-N 0 0 323.437 0.567 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000330501884 278025441 /nfs/dbraw/zinc/02/54/41/278025441.db2.gz VSRCOJUOAUTEHL-GJZGRUSLSA-N 0 0 311.426 0.470 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC[C@@](C)(O)CO ZINC000332675722 278060425 /nfs/dbraw/zinc/06/04/25/278060425.db2.gz KBYTVJFBPHGREX-NVXWUHKLSA-N 0 0 320.389 0.382 10 0 DCAERN CC(=O)NC1(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCCCC1 ZINC000408206086 278080589 /nfs/dbraw/zinc/08/05/89/278080589.db2.gz SFCZSYLRRQPEPY-NSHDSACASA-N 0 0 316.423 0.471 10 0 DCAERN COc1n[nH]c(NC(=O)c2cc(Br)nn2C)n1 ZINC000192199761 278085504 /nfs/dbraw/zinc/08/55/04/278085504.db2.gz HYBJNAGZNXFYQY-UHFFFAOYSA-N 0 0 301.104 0.562 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000107324033 278194338 /nfs/dbraw/zinc/19/43/38/278194338.db2.gz KHFAOWDOEKFGSU-LLVKDONJSA-N 0 0 316.361 0.374 10 0 DCAERN C[C@@H](NC(=O)C1CCN(CC(N)=O)CC1)c1ccc(O)cc1 ZINC000091677525 278320810 /nfs/dbraw/zinc/32/08/10/278320810.db2.gz POOFWQBDNPENJK-LLVKDONJSA-N 0 0 305.378 0.767 10 0 DCAERN Cn1ccc(CNC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000546894645 288033632 /nfs/dbraw/zinc/03/36/32/288033632.db2.gz NAISURXGQJWUNT-GFCCVEGCSA-N 0 0 306.370 0.166 10 0 DCAERN CC1(C)c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2NC1=O ZINC000293164487 278452399 /nfs/dbraw/zinc/45/23/99/278452399.db2.gz WYCUFLOISJKLHK-UHFFFAOYSA-N 0 0 322.386 0.787 10 0 DCAERN CCOC(=O)c1cnc(N[C@@H]2CCCN(CCO)C2=O)nc1C ZINC000547438981 288046218 /nfs/dbraw/zinc/04/62/18/288046218.db2.gz JADMGCXWBTWVAC-GFCCVEGCSA-N 0 0 322.365 0.357 10 0 DCAERN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CN1CC(=O)NC1=O ZINC000115721021 278500289 /nfs/dbraw/zinc/50/02/89/278500289.db2.gz XPNKZHOBJHREIL-AAEUAGOBSA-N 0 0 301.346 0.943 10 0 DCAERN CC(C)(C)[C@H](CCO)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408123272 278523880 /nfs/dbraw/zinc/52/38/80/278523880.db2.gz OEFXHMJCIBFDMM-NSHDSACASA-N 0 0 308.444 0.729 10 0 DCAERN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(C)Cc1nnnn1C ZINC000547491626 288052632 /nfs/dbraw/zinc/05/26/32/288052632.db2.gz GLDJJTHTSGPKKK-VXGBXAGGSA-N 0 0 310.402 0.945 10 0 DCAERN c1c(N2CCN(c3nccn4nnnc34)CC2)n[nH]c1C1CC1 ZINC000547634401 288063818 /nfs/dbraw/zinc/06/38/18/288063818.db2.gz SHUPHWZSGPHZRL-UHFFFAOYSA-N 0 0 311.353 0.446 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC(=O)N1C ZINC000282447702 278688355 /nfs/dbraw/zinc/68/83/55/278688355.db2.gz SDLHPAJUZYKAPR-SECBINFHSA-N 0 0 303.318 0.320 10 0 DCAERN O=C(CN1CCOCC1=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000547732749 288073460 /nfs/dbraw/zinc/07/34/60/288073460.db2.gz KVJVNIUUIGNLMR-ZDUSSCGKSA-N 0 0 315.373 0.861 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NC1Cc2ccccc2C1 ZINC000547738224 288074217 /nfs/dbraw/zinc/07/42/17/288074217.db2.gz MXLFEZRLXDVPSU-SFHVURJKSA-N 0 0 312.369 0.883 10 0 DCAERN CC(C)C[C@@H]1C[C@H]1N1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333143561 279060753 /nfs/dbraw/zinc/06/07/53/279060753.db2.gz CRRFYKJJPNDSBQ-GMTAPVOTSA-N 0 0 300.380 0.482 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)CC1 ZINC000408070307 288108880 /nfs/dbraw/zinc/10/88/80/288108880.db2.gz ITHWYUABAPIMAH-GJZGRUSLSA-N 0 0 311.426 0.303 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000548390169 288138988 /nfs/dbraw/zinc/13/89/88/288138988.db2.gz JRMUVMMZVCPGRH-AWEZNQCLSA-N 0 0 316.357 0.866 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000548390170 288139002 /nfs/dbraw/zinc/13/90/02/288139002.db2.gz JRMUVMMZVCPGRH-CQSZACIVSA-N 0 0 316.357 0.866 10 0 DCAERN CC(C)[C@@H](C(=O)N(C)[C@@H]1CCOC1)N1CCCS1(=O)=O ZINC000156061836 279755810 /nfs/dbraw/zinc/75/58/10/279755810.db2.gz ZBGHLHALWDNEQP-NEPJUHHUSA-N 0 0 304.412 0.294 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246260675 279940241 /nfs/dbraw/zinc/94/02/41/279940241.db2.gz OAXABPNANFAZMR-IJEWVQPXSA-N 0 0 323.437 0.613 10 0 DCAERN CCn1ncnc1CNC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000549050977 288190866 /nfs/dbraw/zinc/19/08/66/288190866.db2.gz JJKJJXYBXVBTSS-NSHDSACASA-N 0 0 303.370 0.908 10 0 DCAERN COC1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCOCC1 ZINC000550663869 288217741 /nfs/dbraw/zinc/21/77/41/288217741.db2.gz OFKQPOADFVJFHA-SNVBAGLBSA-N 0 0 310.316 0.935 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCOC[C@H]1c1ncnn1C ZINC000329712497 280394619 /nfs/dbraw/zinc/39/46/19/280394619.db2.gz QEUBKKCLZDVUAA-FRRDWIJNSA-N 0 0 308.382 0.776 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000181318242 280843931 /nfs/dbraw/zinc/84/39/31/280843931.db2.gz OMPOETHIQJUYJM-KGLIPLIRSA-N 0 0 305.378 0.963 10 0 DCAERN CC1(C)CN(C(=O)C(=O)NCC2CC2)C[C@@]2(CCCOC2)O1 ZINC000408002259 281150741 /nfs/dbraw/zinc/15/07/41/281150741.db2.gz DKBUOMVMGKXXEK-MRXNPFEDSA-N 0 0 310.394 0.699 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@@H](CO)O1 ZINC000333533569 281257926 /nfs/dbraw/zinc/25/79/26/281257926.db2.gz MQDJVUJPKOAPCB-MROQNXINSA-N 0 0 303.424 0.977 10 0 DCAERN O=C(NC1(C(F)(F)F)CCOCC1)c1ccc2nnnn2c1 ZINC000554209396 288314924 /nfs/dbraw/zinc/31/49/24/288314924.db2.gz DEIROHHUNXRQFP-UHFFFAOYSA-N 0 0 315.255 0.966 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000122023506 281387274 /nfs/dbraw/zinc/38/72/74/281387274.db2.gz OQAPFFUCJQUCTL-TZMCWYRMSA-N 0 0 306.410 0.897 10 0 DCAERN CC(C)n1ncc2cc(NC(=O)C(=O)N(C)CCCO)cnc21 ZINC000555959808 288366917 /nfs/dbraw/zinc/36/69/17/288366917.db2.gz ODBKZKAOYBXOOE-UHFFFAOYSA-N 0 0 319.365 0.792 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408033263 282018082 /nfs/dbraw/zinc/01/80/82/282018082.db2.gz JSPZSHSZXCADCT-MNOVXSKESA-N 0 0 301.354 0.274 10 0 DCAERN Cn1ccc(CNC(=O)C[C@H](NC(N)=O)c2ccccc2)n1 ZINC000556712508 288386365 /nfs/dbraw/zinc/38/63/65/288386365.db2.gz NQBSVOWJIJHPAC-ZDUSSCGKSA-N 0 0 301.350 0.836 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000557851586 288433014 /nfs/dbraw/zinc/43/30/14/288433014.db2.gz GJSDHFVXZGYNJR-WDEREUQCSA-N 0 0 310.441 0.130 10 0 DCAERN Cn1cc(OCC(=O)NCCN2C(=O)Cc3ccccc32)cn1 ZINC000558607663 288450140 /nfs/dbraw/zinc/45/01/40/288450140.db2.gz XOVAQIYWKZSBPF-UHFFFAOYSA-N 0 0 314.345 0.504 10 0 DCAERN Cn1nnc(CNC(=O)NCC[C@@H]2COc3ccccc3O2)n1 ZINC000562341679 288567378 /nfs/dbraw/zinc/56/73/78/288567378.db2.gz ITYSFCLSSLVTBQ-SNVBAGLBSA-N 0 0 318.337 0.239 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)O1 ZINC000329260474 289025557 /nfs/dbraw/zinc/02/55/57/289025557.db2.gz AWLINVGBLHJQHZ-UMPJEAMMSA-N 0 0 322.405 0.792 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408185549 289229215 /nfs/dbraw/zinc/22/92/15/289229215.db2.gz KUXLKBYECCXBHU-ZDUSSCGKSA-N 0 0 304.412 0.297 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000408187737 289230994 /nfs/dbraw/zinc/23/09/94/289230994.db2.gz PZCOMYRYGJCBON-RTXFEEFZSA-N 0 0 316.423 0.342 10 0 DCAERN CN(CC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)S(C)(=O)=O ZINC000408132798 289467185 /nfs/dbraw/zinc/46/71/85/289467185.db2.gz LRKBAOXTOFZGKI-MNOVXSKESA-N 0 0 306.428 0.133 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCO[C@]4(CCOC4)C3)c2n1 ZINC000186029479 292753702 /nfs/dbraw/zinc/75/37/02/292753702.db2.gz MGQKIEFOYIQVLJ-OAHLLOKOSA-N 0 0 302.334 0.669 10 0 DCAERN COC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O ZINC000179478987 292763361 /nfs/dbraw/zinc/76/33/61/292763361.db2.gz PETPZKNJLBEZPP-VXGBXAGGSA-N 0 0 306.428 0.540 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C(C)(C)C1=O ZINC000333610530 290039763 /nfs/dbraw/zinc/03/97/63/290039763.db2.gz GROXWCQSYMDPKO-KGLIPLIRSA-N 0 0 323.437 0.709 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[C@H](C)C1 ZINC000333161822 290115611 /nfs/dbraw/zinc/11/56/11/290115611.db2.gz MAHBZSKTLCJBRX-SEBNEYGDSA-N 0 0 316.467 0.892 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CC(C)(C)O1 ZINC000408029833 293235483 /nfs/dbraw/zinc/23/54/83/293235483.db2.gz YZWLTYLLAYQNMU-NWDGAFQWSA-N 0 0 306.428 0.841 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2OCCc3ccccc32)c(=O)n(C)c1=O ZINC000121967704 294265785 /nfs/dbraw/zinc/26/57/85/294265785.db2.gz JSDUTHBJNAHODM-CYBMUJFWSA-N 0 0 315.329 0.337 10 0 DCAERN NC(=O)[C@@H]1CCCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284235907 295104721 /nfs/dbraw/zinc/10/47/21/295104721.db2.gz KIMDPHRCYDMUKC-LBPRGKRZSA-N 0 0 304.350 0.745 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000091782832 295118939 /nfs/dbraw/zinc/11/89/39/295118939.db2.gz QOCSOIULABUWCF-KBPBESRZSA-N 0 0 304.346 0.403 10 0 DCAERN O=C(CC1(O)CCCCC1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366168753 295461902 /nfs/dbraw/zinc/46/19/02/295461902.db2.gz UWWKCMKOJZYNNI-OAHLLOKOSA-N 0 0 309.366 0.272 10 0 DCAERN C[C@H](CC(=O)N1CCCS(=O)(=O)CC1)N1CCCCC1=O ZINC000328777813 298289097 /nfs/dbraw/zinc/28/90/97/298289097.db2.gz SYFKMUMMVMKVRZ-GFCCVEGCSA-N 0 0 316.423 0.425 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000158948929 300035187 /nfs/dbraw/zinc/03/51/87/300035187.db2.gz RRRKAJYIZZAJCO-GXSJLCMTSA-N 0 0 316.361 0.593 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)C[C@H](C)S1=O ZINC000407990526 300188250 /nfs/dbraw/zinc/18/82/50/300188250.db2.gz LQTBFTGUYYUQAG-IUCAKERBSA-N 0 0 312.395 0.230 10 0 DCAERN O=C1NCCC[C@@H]1N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394903 304668584 /nfs/dbraw/zinc/66/85/84/304668584.db2.gz NUUORPOAEBSZCL-RYUDHWBXSA-N 0 0 312.366 0.912 10 0 DCAERN Cc1c(C(=O)N2CC[C@H](O)[C@H](C)C2)cccc1S(N)(=O)=O ZINC000408378991 300930478 /nfs/dbraw/zinc/93/04/78/300930478.db2.gz YCPMNCIAQBOAMS-SKDRFNHKSA-N 0 0 312.391 0.485 10 0 DCAERN Cc1cc(C)n(Cc2nnc(N3CCNC(=O)[C@@H]3C)n2C)n1 ZINC000329460855 301241095 /nfs/dbraw/zinc/24/10/95/301241095.db2.gz SCUQVBCVMBVBDV-NSHDSACASA-N 0 0 303.370 0.842 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCN(CC(C)(C)O)CC2)n1 ZINC000106400139 301244280 /nfs/dbraw/zinc/24/42/80/301244280.db2.gz CRMAXKAAXKLZAJ-AWEZNQCLSA-N 0 0 308.426 0.976 10 0 DCAERN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333155117 304762479 /nfs/dbraw/zinc/76/24/79/304762479.db2.gz LAYPPVNFSHRPHL-KXNHARMFSA-N 0 0 307.437 0.672 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@]2(O)CCSC2)CCN1C ZINC000276716605 303007739 /nfs/dbraw/zinc/00/77/39/303007739.db2.gz PYICSSYRTBAISW-RISCZKNCSA-N 0 0 310.423 0.103 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000284443784 303103581 /nfs/dbraw/zinc/10/35/81/303103581.db2.gz KBDOEPINXXZWHE-TZMCWYRMSA-N 0 0 314.345 0.719 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ncccc1Br ZINC000231764270 303334199 /nfs/dbraw/zinc/33/41/99/303334199.db2.gz DFQZAQXMVHRYLN-MRVPVSSYSA-N 0 0 314.139 0.170 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000366152072 303616268 /nfs/dbraw/zinc/61/62/68/303616268.db2.gz PKLHFAXWXFIIGK-CYBMUJFWSA-N 0 0 310.394 0.843 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000186004380 332806079 /nfs/dbraw/zinc/80/60/79/332806079.db2.gz VXEOGGDEOLBOAB-CJNGLKHVSA-N 0 0 310.394 0.653 10 0 DCAERN CO[C@@]1(C)C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332771853 332867898 /nfs/dbraw/zinc/86/78/98/332867898.db2.gz LUYJNMRHNGDURC-YFCNSXCBSA-N 0 0 323.397 0.721 10 0 DCAERN C[C@@]1(CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCCC[C@H]1O ZINC000332843607 332884404 /nfs/dbraw/zinc/88/44/04/332884404.db2.gz LZUYLHWCXGZHAN-JLNYLFASSA-N 0 0 323.397 0.458 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1c[nH]nc1C ZINC000170850591 332887043 /nfs/dbraw/zinc/88/70/43/332887043.db2.gz KUASZTQPFOOPTR-UHFFFAOYSA-N 0 0 314.392 0.665 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000332902122 332901114 /nfs/dbraw/zinc/90/11/14/332901114.db2.gz RTQCOSZRBQRYLJ-MNOVXSKESA-N 0 0 313.423 0.423 10 0 DCAERN O=C(NCCOCC1CCC1)N[C@@H](CO)C1CCOCC1 ZINC000570445552 332756264 /nfs/dbraw/zinc/75/62/64/332756264.db2.gz MXVKIVPLNIZUDN-AWEZNQCLSA-N 0 0 300.399 0.890 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000580151208 332964577 /nfs/dbraw/zinc/96/45/77/332964577.db2.gz KEDZQDWFKCQRDJ-NSHDSACASA-N 0 0 321.381 0.482 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)NCC2(C)COC2)C1(C)C ZINC000188749559 333054574 /nfs/dbraw/zinc/05/45/74/333054574.db2.gz KEOFASLCGQMWPD-NHYWBVRUSA-N 0 0 300.399 0.888 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)[C@H](C)OC ZINC000583538211 335688867 /nfs/dbraw/zinc/68/88/67/335688867.db2.gz DSBFLUDYTLOIHP-OUAUKWLOSA-N 0 0 307.416 0.133 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1c1cccc(N2CCOCC2)c1 ZINC000580393826 336265488 /nfs/dbraw/zinc/26/54/88/336265488.db2.gz DIPXAAUFPYEZDD-INIZCTEOSA-N 0 0 317.345 0.739 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)c(C)s1 ZINC000396941092 337242652 /nfs/dbraw/zinc/24/26/52/337242652.db2.gz SYSSKBJPOHXMNS-MNOVXSKESA-N 0 0 305.421 0.729 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000584411091 337321147 /nfs/dbraw/zinc/32/11/47/337321147.db2.gz DAQKCSJYCIGTIE-NSHDSACASA-N 0 0 304.346 0.990 10 0 DCAERN O=C(NC[C@H]1CCCn2ccnc21)C(=O)N1CCCOCC1 ZINC000583835251 337340645 /nfs/dbraw/zinc/34/06/45/337340645.db2.gz WPCIRUIPKFVIJU-GFCCVEGCSA-N 0 0 306.366 0.126 10 0 DCAERN C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000584551459 337360472 /nfs/dbraw/zinc/36/04/72/337360472.db2.gz HZHRKCBRVWXXEH-UONOGXRCSA-N 0 0 323.437 0.757 10 0 DCAERN COc1cc(N)c(OCCS(=O)(=O)CCO)c(OC)c1 ZINC000584642195 337380195 /nfs/dbraw/zinc/38/01/95/337380195.db2.gz WNAPXJGHGFDAJZ-UHFFFAOYSA-N 0 0 305.352 0.072 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NCCc1cc(F)ccc1F ZINC000177120429 341916017 /nfs/dbraw/zinc/91/60/17/341916017.db2.gz PKFXBZBGWSTCSE-MRVPVSSYSA-N 0 0 306.334 0.561 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@@H](C)C[S@@](C)=O)CC2)n[nH]1 ZINC000186832168 533898711 /nfs/dbraw/zinc/89/87/11/533898711.db2.gz TUSHFFZZSCYESG-WIUDPPPLSA-N 0 0 313.427 0.317 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)[nH]1 ZINC000294625727 533995482 /nfs/dbraw/zinc/99/54/82/533995482.db2.gz JKMGUKJCCXWQTO-CHWSQXEVSA-N 0 0 307.350 0.346 10 0 DCAERN C[C@H](O)C1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000172581763 534049906 /nfs/dbraw/zinc/04/99/06/534049906.db2.gz OPVFEKBZUJBMET-ZDUSSCGKSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1cc(CC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)[nH]n1 ZINC000276660183 534148525 /nfs/dbraw/zinc/14/85/25/534148525.db2.gz YRJKYQHZXRVZII-OAHLLOKOSA-N 0 0 306.410 0.830 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)Nc1ccc2cc[nH]c2c1 ZINC000194252387 534320163 /nfs/dbraw/zinc/32/01/63/534320163.db2.gz ONCIEJBGJPVEAD-UHFFFAOYSA-N 0 0 301.306 0.841 10 0 DCAERN Cc1noc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)n1 ZINC000328621499 534415985 /nfs/dbraw/zinc/41/59/85/534415985.db2.gz HTKCOFZIJGSUDI-IAQYHMDHSA-N 0 0 318.381 0.790 10 0 DCAERN CC(=O)N(C)CC(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000364170793 519440330 /nfs/dbraw/zinc/44/03/30/519440330.db2.gz SHWLYWTXIXAPLI-UHFFFAOYSA-N 0 0 305.382 0.382 10 0 DCAERN CC(=O)NC1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 ZINC000190485078 519647461 /nfs/dbraw/zinc/64/74/61/519647461.db2.gz LMBVMRZGBYSYCH-UHFFFAOYSA-N 0 0 315.373 0.851 10 0 DCAERN CC(=O)NC1CN(C(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000190452910 519647486 /nfs/dbraw/zinc/64/74/86/519647486.db2.gz SZCZKAFIXKNTAE-UHFFFAOYSA-N 0 0 304.306 0.609 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2cccc(-n3cncn3)c2)C1 ZINC000190146110 519648342 /nfs/dbraw/zinc/64/83/42/519648342.db2.gz MWRBRKRHXUOVJJ-UHFFFAOYSA-N 0 0 314.349 0.297 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCc2nnc3n2CCCCC3)C1 ZINC000189739356 519648450 /nfs/dbraw/zinc/64/84/50/519648450.db2.gz FXFBTRMGDXITLO-UHFFFAOYSA-N 0 0 320.397 0.077 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000179486258 519730233 /nfs/dbraw/zinc/73/02/33/519730233.db2.gz JPUOFSTWOHESJX-QWRGUYRKSA-N 0 0 306.428 0.634 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C[C@H]1COC(=O)C1)CC2 ZINC000154776524 519871871 /nfs/dbraw/zinc/87/18/71/519871871.db2.gz AZEWRVHZXUIYOY-GHMZBOCLSA-N 0 0 306.366 0.786 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000156431571 519874707 /nfs/dbraw/zinc/87/47/07/519874707.db2.gz IXQSLDCTGYIQHR-LLVKDONJSA-N 0 0 321.381 0.266 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1C ZINC000117283280 519916576 /nfs/dbraw/zinc/91/65/76/519916576.db2.gz UVANOGFSDOCWSJ-ZIAGYGMSSA-N 0 0 311.426 0.424 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC000266800946 520553413 /nfs/dbraw/zinc/55/34/13/520553413.db2.gz BUSAPLNDTMDJST-OLZOCXBDSA-N 0 0 320.393 0.593 10 0 DCAERN CC1(CNC(=O)c2ccc(-n3cnnn3)cc2)OCCCO1 ZINC000191151035 520729232 /nfs/dbraw/zinc/72/92/32/520729232.db2.gz DBBBNHWOMVFUGR-UHFFFAOYSA-N 0 0 303.322 0.545 10 0 DCAERN CCCCOCCNC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105899079 520764476 /nfs/dbraw/zinc/76/44/76/520764476.db2.gz UQWXMVUUUXAGMN-CQSZACIVSA-N 0 0 309.414 0.848 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000245732166 520812908 /nfs/dbraw/zinc/81/29/08/520812908.db2.gz JOHQZJNPHJLELS-RRFJBIMHSA-N 0 0 323.437 0.757 10 0 DCAERN CCN(CC)c1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000181026450 520887720 /nfs/dbraw/zinc/88/77/20/520887720.db2.gz GKUVMJMTPAHWTN-CQSZACIVSA-N 0 0 305.378 0.859 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)C)cn1 ZINC000157078033 520912972 /nfs/dbraw/zinc/91/29/72/520912972.db2.gz DYBCJHUVNSKYNW-CYBMUJFWSA-N 0 0 322.409 0.999 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)s1 ZINC000190641670 521448128 /nfs/dbraw/zinc/44/81/28/521448128.db2.gz BAWMJAWCDVNDFQ-SNVBAGLBSA-N 0 0 324.406 0.771 10 0 DCAERN CCCN(CC(=O)OC)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060014 521569303 /nfs/dbraw/zinc/56/93/03/521569303.db2.gz VWTLXZHXXLJZLQ-UHFFFAOYSA-N 0 0 309.775 0.647 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N[C@H](C)CS(=O)(=O)CC)C1 ZINC000246988402 521621778 /nfs/dbraw/zinc/62/17/78/521621778.db2.gz FDURLZMLQWYKKW-VXGBXAGGSA-N 0 0 305.444 0.593 10 0 DCAERN CCC1(CC)CN(C[C@@H](O)CN2CCCC2=O)CC[S@]1=O ZINC000249009187 521690560 /nfs/dbraw/zinc/69/05/60/521690560.db2.gz OIENOBVYTWUKOY-ASSNKEHSSA-N 0 0 316.467 0.593 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000129460030 521732725 /nfs/dbraw/zinc/73/27/25/521732725.db2.gz GOFDEYKIDVGDJR-SNVBAGLBSA-N 0 0 308.386 0.054 10 0 DCAERN COCCn1nc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)ccc1=O ZINC000163235688 522144882 /nfs/dbraw/zinc/14/48/82/522144882.db2.gz IAOLCILWNIKKQD-JSGCOSHPSA-N 0 0 321.377 0.531 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000132030739 522559247 /nfs/dbraw/zinc/55/92/47/522559247.db2.gz FDDKAEUFYAULAY-CYBMUJFWSA-N 0 0 317.393 0.674 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N(C)[C@@H](CO)CC(C)C)cn1 ZINC000191090793 522559325 /nfs/dbraw/zinc/55/93/25/522559325.db2.gz GOAGMJCHUAPZAJ-GFCCVEGCSA-N 0 0 308.382 0.843 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)ccc1F ZINC000190631982 522898555 /nfs/dbraw/zinc/89/85/55/522898555.db2.gz KQRGMUTUHUDZTL-LLVKDONJSA-N 0 0 304.343 0.623 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000156411549 522989760 /nfs/dbraw/zinc/98/97/60/522989760.db2.gz HNAIDQDNRCWIAM-HNNXBMFYSA-N 0 0 314.389 0.833 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1COCCN1 ZINC000237235320 523099188 /nfs/dbraw/zinc/09/91/88/523099188.db2.gz YOQOCJYGEYZSTB-GJZGRUSLSA-N 0 0 308.378 0.011 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000134125774 523182548 /nfs/dbraw/zinc/18/25/48/523182548.db2.gz PWIHUKOIVOSEBF-UHFFFAOYSA-N 0 0 314.411 0.355 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H](O)Cc1ccccc1 ZINC000136122587 523186721 /nfs/dbraw/zinc/18/67/21/523186721.db2.gz GZCIKTDPPGUGHO-AWEZNQCLSA-N 0 0 301.408 0.936 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188539118 523316967 /nfs/dbraw/zinc/31/69/67/523316967.db2.gz MLRSXFBVNYZEHF-UHFFFAOYSA-N 0 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PHOABOIMEXPOMJ-UHFFFAOYSA-N 0 0 313.398 0.982 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000364957904 523811903 /nfs/dbraw/zinc/81/19/03/523811903.db2.gz WPRZUTPABOXPLI-BARDWOONSA-N 0 0 323.437 0.422 10 0 DCAERN CO[C@@]1(C)C[C@H](NC(=O)Cn2cnc3c2ncnc3N)C1(C)C ZINC000267185920 523813549 /nfs/dbraw/zinc/81/35/49/523813549.db2.gz WFTACJQILDHFHE-VFZGTOFNSA-N 0 0 318.381 0.728 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000170715105 523949852 /nfs/dbraw/zinc/94/98/52/523949852.db2.gz QRGKULVWMWFFQS-MNOVXSKESA-N 0 0 308.334 0.810 10 0 DCAERN CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190792893 524043705 /nfs/dbraw/zinc/04/37/05/524043705.db2.gz KBUDAOCZCJJNSB-UHFFFAOYSA-N 0 0 318.370 0.885 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ns1 ZINC000365522269 524152705 /nfs/dbraw/zinc/15/27/05/524152705.db2.gz KWFBSEFWFOLDSL-NSHDSACASA-N 0 0 309.391 0.961 10 0 DCAERN COc1cccc([C@H]2CN(CCNS(C)(=O)=O)CCO2)c1 ZINC000119112682 524182018 /nfs/dbraw/zinc/18/20/18/524182018.db2.gz CNVVPBXVCUSEAJ-CQSZACIVSA-N 0 0 314.407 0.618 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)COC(C)C)CCO2)n1 ZINC000105904039 524534375 /nfs/dbraw/zinc/53/43/75/524534375.db2.gz UEABOIAKWCWSGY-HOTGVXAUSA-N 0 0 311.426 0.987 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245922530 524596316 /nfs/dbraw/zinc/59/63/16/524596316.db2.gz RAUQWHXVJHFMGH-YPMHNXCESA-N 0 0 312.391 0.306 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@](O)(CO)C2)c1C ZINC000459640355 534797229 /nfs/dbraw/zinc/79/72/29/534797229.db2.gz FDRNXCGWAGVOCQ-INIZCTEOSA-N 0 0 308.378 0.836 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)CCC1=O ZINC000189045040 524655777 /nfs/dbraw/zinc/65/57/77/524655777.db2.gz WHEOTLCVKRIKSJ-ZETCQYMHSA-N 0 0 303.771 0.917 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H](C(N)=O)O1 ZINC000157353202 524857776 /nfs/dbraw/zinc/85/77/76/524857776.db2.gz GHLHARAFTFBVDS-PSASIEDQSA-N 0 0 310.375 0.536 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000152747547 524885596 /nfs/dbraw/zinc/88/55/96/524885596.db2.gz XOZBLLMFKFTVRD-ZIAGYGMSSA-N 0 0 315.377 0.934 10 0 DCAERN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000247036267 525055784 /nfs/dbraw/zinc/05/57/84/525055784.db2.gz KMNNSHBFEYTSNK-BXKDBHETSA-N 0 0 300.355 0.471 10 0 DCAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NC(CO)CO)C(C)C ZINC000132497579 525058433 /nfs/dbraw/zinc/05/84/33/525058433.db2.gz QJHJSJLLMLPNGT-CQSZACIVSA-N 0 0 308.378 0.219 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C(=O)N(C)C ZINC000191804411 525169064 /nfs/dbraw/zinc/16/90/64/525169064.db2.gz PNNCVRRFXKJKEP-VHRBIJSZSA-N 0 0 318.377 0.194 10 0 DCAERN Cc1ccccc1CS(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249425978 525179690 /nfs/dbraw/zinc/17/96/90/525179690.db2.gz FNISXRCSIBDKRX-AWEZNQCLSA-N 0 0 312.435 0.823 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000183964026 525193450 /nfs/dbraw/zinc/19/34/50/525193450.db2.gz AUWREPVYIXIAMF-UHFFFAOYSA-N 0 0 321.349 0.973 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000192586548 525208320 /nfs/dbraw/zinc/20/83/20/525208320.db2.gz GBCPMZRZKCBSEV-CHWSQXEVSA-N 0 0 323.418 0.652 10 0 DCAERN COc1ccc2[nH]c(C(=O)N3CCOC[C@H]3C(N)=O)cc2c1 ZINC000189589173 525479081 /nfs/dbraw/zinc/47/90/81/525479081.db2.gz OHJPGUZZOXRFGO-ZDUSSCGKSA-N 0 0 303.318 0.503 10 0 DCAERN COc1ccc2[nH]c(C(=O)NCCNS(C)(=O)=O)cc2c1 ZINC000188949834 525479766 /nfs/dbraw/zinc/47/97/66/525479766.db2.gz PDZHDQYEORREIC-UHFFFAOYSA-N 0 0 311.363 0.456 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000188335554 525554989 /nfs/dbraw/zinc/55/49/89/525554989.db2.gz YOSMYYUZBHHNNM-FZMZJTMJSA-N 0 0 306.362 0.982 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000156308195 525637473 /nfs/dbraw/zinc/63/74/73/525637473.db2.gz XMAXHVYOWZDXIO-GHMZBOCLSA-N 0 0 312.391 0.892 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249530581 525914930 /nfs/dbraw/zinc/91/49/30/525914930.db2.gz AVYODBNYKBVHID-MELADBBJSA-N 0 0 300.399 0.096 10 0 DCAERN C[C@H](C(=O)N(C)Cc1ccccc1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246493098 525939027 /nfs/dbraw/zinc/93/90/27/525939027.db2.gz NSGBJVKNMKLTNM-UMVBOHGHSA-N 0 0 319.405 0.608 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccnc1 ZINC000246000111 526072999 /nfs/dbraw/zinc/07/29/99/526072999.db2.gz GDUIDKJJBJHSMO-YUTCNCBUSA-N 0 0 305.378 0.937 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000188877466 526200996 /nfs/dbraw/zinc/20/09/96/526200996.db2.gz DWAHDBCHCKTXCV-NSHDSACASA-N 0 0 316.423 0.471 10 0 DCAERN C[C@H]1C(=O)Nc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc2N1C ZINC000269085148 526208068 /nfs/dbraw/zinc/20/80/68/526208068.db2.gz MAMOOEWCQINPCG-CMPLNLGQSA-N 0 0 319.361 0.297 10 0 DCAERN COc1cccc(OC)c1CC(=O)NC[C@H]1CN(C)CCO1 ZINC000157998750 526221165 /nfs/dbraw/zinc/22/11/65/526221165.db2.gz HZXQZVQFIKUHDK-LBPRGKRZSA-N 0 0 308.378 0.693 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000154726270 526482946 /nfs/dbraw/zinc/48/29/46/526482946.db2.gz FMMSOVCQIGSDOA-TZMCWYRMSA-N 0 0 310.394 0.699 10 0 DCAERN Cc1noc(CCNC(=O)c2cnn(C)c2-n2cccc2)n1 ZINC000119651719 526610627 /nfs/dbraw/zinc/61/06/27/526610627.db2.gz OQHKVLPLPQADGT-UHFFFAOYSA-N 0 0 300.322 0.875 10 0 DCAERN O=C(NC[C@H]1CSCCS1)N[C@H]1CCc2ncnn2C1 ZINC000176534074 526625848 /nfs/dbraw/zinc/62/58/48/526625848.db2.gz CWYLBKJPSPVZJZ-UWVGGRQHSA-N 0 0 313.452 0.741 10 0 DCAERN O=C(CCc1nnc[nH]1)N1Cc2cnnn2Cc2ccccc21 ZINC000188990728 526664923 /nfs/dbraw/zinc/66/49/23/526664923.db2.gz HNVFENAFNPONMW-UHFFFAOYSA-N 0 0 309.333 0.924 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C)C2)n1 ZINC000365025542 526671302 /nfs/dbraw/zinc/67/13/02/526671302.db2.gz FKUTUJWCEHNXOQ-ZYHUDNBSSA-N 0 0 322.365 0.536 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000331002108 526678056 /nfs/dbraw/zinc/67/80/56/526678056.db2.gz QYUIESPYQADKIW-MWLCHTKSSA-N 0 0 302.396 0.706 10 0 DCAERN O=C(c1ccc2c(c1)OCO2)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000269289818 526728694 /nfs/dbraw/zinc/72/86/94/526728694.db2.gz TVIXOTDNSAHAQU-GFCCVEGCSA-N 0 0 317.345 0.062 10 0 DCAERN Cc1oc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1S(N)(=O)=O ZINC000268016264 526760069 /nfs/dbraw/zinc/76/00/69/526760069.db2.gz RPWYGDFRZZUNKL-YUMQZZPRSA-N 0 0 302.352 0.485 10 0 DCAERN O=C(CN1CCOCC1=O)NCCN1CCc2sccc2C1 ZINC000366072586 526792198 /nfs/dbraw/zinc/79/21/98/526792198.db2.gz KJJLBBSYNWFOCC-UHFFFAOYSA-N 0 0 323.418 0.081 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)s1 ZINC000178625652 526803672 /nfs/dbraw/zinc/80/36/72/526803672.db2.gz RVGZPQFDLYNABN-GFCCVEGCSA-N 0 0 322.434 0.114 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000127057394 526867359 /nfs/dbraw/zinc/86/73/59/526867359.db2.gz ARPOMARRZBVCDZ-MGPQQGTHSA-N 0 0 303.362 0.885 10 0 DCAERN Cc1nc(CNC(=O)CN2c3ccccc3O[C@@H](C)C2=O)no1 ZINC000134985570 526878422 /nfs/dbraw/zinc/87/84/22/526878422.db2.gz LKLUYLCYDUHNAY-VIFPVBQESA-N 0 0 316.317 0.808 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3ncccc3C2)C1 ZINC000366305691 526963085 /nfs/dbraw/zinc/96/30/85/526963085.db2.gz BLOFFASOKZXIRV-CYBMUJFWSA-N 0 0 302.378 0.164 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000127458080 527075374 /nfs/dbraw/zinc/07/53/74/527075374.db2.gz FVUAQULHJWHTHU-LBPRGKRZSA-N 0 0 313.361 0.929 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCO[C@@H](CO)C1 ZINC000168049180 527146163 /nfs/dbraw/zinc/14/61/63/527146163.db2.gz KHZAGLJITZUGNR-SECBINFHSA-N 0 0 303.156 0.621 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000330859181 527153950 /nfs/dbraw/zinc/15/39/50/527153950.db2.gz OQMHOYMNLYHICI-MRXNPFEDSA-N 0 0 324.425 0.825 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000154948159 527175345 /nfs/dbraw/zinc/17/53/45/527175345.db2.gz WOGAEFHYWAUWGE-GFCCVEGCSA-N 0 0 318.308 0.220 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C(N)=O)nc1)CC2 ZINC000163938960 527195004 /nfs/dbraw/zinc/19/50/04/527195004.db2.gz DDVHGXQQJDNCQZ-JTQLQIEISA-N 0 0 315.337 0.217 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N1CC(NC(=O)C2CC2)C1 ZINC000189465741 527252659 /nfs/dbraw/zinc/25/26/59/527252659.db2.gz BMDOLYCYCQZHGN-UHFFFAOYSA-N 0 0 302.330 0.695 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)/C=C/c3cncc(O)c3)C2)cn1 ZINC000365025404 527256233 /nfs/dbraw/zinc/25/62/33/527256233.db2.gz YTDXQFHBFXBKQM-IBUXWKBASA-N 0 0 313.361 0.929 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000123044879 527260967 /nfs/dbraw/zinc/26/09/67/527260967.db2.gz VKSYROGFBJBPMJ-NHYWBVRUSA-N 0 0 306.366 0.512 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000162557806 527284306 /nfs/dbraw/zinc/28/43/06/527284306.db2.gz DNWJLICKORLRSU-UWVGGRQHSA-N 0 0 310.780 0.272 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)NCc1cc(C(N)=O)co1 ZINC000186717174 527593699 /nfs/dbraw/zinc/59/36/99/527593699.db2.gz ABIJMKQGIJPBQR-UHFFFAOYSA-N 0 0 310.354 0.340 10 0 DCAERN Cn1nnc2cc(C(=O)NCCCN3CCCC3=O)ccc21 ZINC000104197723 527643771 /nfs/dbraw/zinc/64/37/71/527643771.db2.gz ABYDFRMMSMIRNJ-UHFFFAOYSA-N 0 0 301.350 0.711 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H](CO)Cc1ccccc1 ZINC000124530307 527662640 /nfs/dbraw/zinc/66/26/40/527662640.db2.gz HLACQHXUMJKNQD-HNNXBMFYSA-N 0 0 319.405 0.902 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000176546145 527737421 /nfs/dbraw/zinc/73/74/21/527737421.db2.gz VWODHCPVIGGVKK-TXEJJXNPSA-N 0 0 303.428 0.756 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)NCc1cc(C(N)=O)co1 ZINC000187651273 528017701 /nfs/dbraw/zinc/01/77/01/528017701.db2.gz DDFKPBDWYOWLLC-UHFFFAOYSA-N 0 0 310.354 0.340 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177527655 528315100 /nfs/dbraw/zinc/31/51/00/528315100.db2.gz KGVSENXSPCICSF-RYUDHWBXSA-N 0 0 305.382 0.878 10 0 DCAERN CC(C)c1nnc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C ZINC000181597085 528425480 /nfs/dbraw/zinc/42/54/80/528425480.db2.gz HFHHEPIYMJAUOU-NSHDSACASA-N 0 0 315.443 0.404 10 0 DCAERN CCOCCNC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000276559659 528771439 /nfs/dbraw/zinc/77/14/39/528771439.db2.gz SLWWQFHAXDUWPD-CYBMUJFWSA-N 0 0 307.398 0.729 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408396459 528840141 /nfs/dbraw/zinc/84/01/41/528840141.db2.gz PLYMURYKBIFZQO-UTUOFQBUSA-N 0 0 304.412 0.198 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)NCc2cc(C(N)=O)co2)C1=O ZINC000187110946 529080538 /nfs/dbraw/zinc/08/05/38/529080538.db2.gz LQKGFNXHBRXXAG-NSHDSACASA-N 0 0 308.338 0.187 10 0 DCAERN CCN1CCN(CC(=O)N2CC[C@@H](C)C[C@H](C)C2)C(=O)C1=O ZINC000163188331 529137173 /nfs/dbraw/zinc/13/71/73/529137173.db2.gz BHMMBILEXRXPAM-OLZOCXBDSA-N 0 0 309.410 0.572 10 0 DCAERN CC[C@H]1[C@H](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185399826 529340402 /nfs/dbraw/zinc/34/04/02/529340402.db2.gz YQXDPUWVRAXYFN-PWSUYJOCSA-N 0 0 303.366 0.777 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000457706980 536880017 /nfs/dbraw/zinc/88/00/17/536880017.db2.gz JCZPBYUUQSNPCF-HNNXBMFYSA-N 0 0 318.373 0.938 10 0 DCAERN CC[NH2+][C@@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070678634 545661636 /nfs/dbraw/zinc/66/16/36/545661636.db2.gz BQLNPQJHGYBLMG-ZETCQYMHSA-N 0 0 309.107 0.550 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCC2(O)CCC2)[C@H]1c1cccnc1 ZINC000081431609 545693736 /nfs/dbraw/zinc/69/37/36/545693736.db2.gz BUFDTBOGQMAMSF-TZMCWYRMSA-N 0 0 303.362 0.632 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1coc(Br)c1 ZINC000091782066 545719915 /nfs/dbraw/zinc/71/99/15/545719915.db2.gz MQGRTDMHVBBCPL-SSDOTTSWSA-N 0 0 303.112 0.368 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000126847192 545771602 /nfs/dbraw/zinc/77/16/02/545771602.db2.gz UGCZCRGONODZLO-VXGBXAGGSA-N 0 0 304.412 0.031 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCOCC2)C1(C)C ZINC000127421956 545775739 /nfs/dbraw/zinc/77/57/39/545775739.db2.gz VPVCZYPMIIQAGO-HZSPNIEDSA-N 0 0 312.410 0.047 10 0 DCAERN C[C@@](O)(CO)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000130009706 545785270 /nfs/dbraw/zinc/78/52/70/545785270.db2.gz HBLBWXNCZREBBU-LBPRGKRZSA-N 0 0 307.799 0.576 10 0 DCAERN COC1(CNC(=O)Cn2c(=O)[nH]c3ccccc32)CCOCC1 ZINC000151780056 545820372 /nfs/dbraw/zinc/82/03/72/545820372.db2.gz JNBGOJXAVFBKQZ-UHFFFAOYSA-N 0 0 319.361 0.641 10 0 DCAERN CCc1cnc(CCNC(=O)CNS(=O)(=O)CC)s1 ZINC000152051277 545821912 /nfs/dbraw/zinc/82/19/12/545821912.db2.gz XAVLAZAJUWKRAQ-UHFFFAOYSA-N 0 0 305.425 0.304 10 0 DCAERN Cc1nc(C(=O)N2CCN(c3nccs3)CC2)c(=O)[nH]c1C ZINC000153855447 545833970 /nfs/dbraw/zinc/83/39/70/545833970.db2.gz GJDMBPZNBQCWAZ-UHFFFAOYSA-N 0 0 319.390 0.806 10 0 DCAERN C[C@H](NC(=O)COc1ccccc1-c1nc[nH]n1)C(=O)N(C)C ZINC000165406889 545875574 /nfs/dbraw/zinc/87/55/74/545875574.db2.gz JNTLJKOXQJKMJB-JTQLQIEISA-N 0 0 317.349 0.443 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177936065 545892878 /nfs/dbraw/zinc/89/28/78/545892878.db2.gz XBRMALXAHGHPEE-DGCLKSJQSA-N 0 0 304.412 0.079 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000182480038 545905471 /nfs/dbraw/zinc/90/54/71/545905471.db2.gz HKMWSVYUWUHKAF-NEPJUHHUSA-N 0 0 306.370 0.121 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC1(CO)CCC1 ZINC000183248186 545907760 /nfs/dbraw/zinc/90/77/60/545907760.db2.gz RSBZPKOKPYFYMM-UHFFFAOYSA-N 0 0 304.350 0.869 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000185073582 545912308 /nfs/dbraw/zinc/91/23/08/545912308.db2.gz GNGZBRDDSZRKEQ-LBPRGKRZSA-N 0 0 316.365 0.995 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000189157583 545919070 /nfs/dbraw/zinc/91/90/70/545919070.db2.gz NTSGOUIJUFZCGD-DZGCQCFKSA-N 0 0 316.409 0.622 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnc3nc(C)ccc3c2O)C1 ZINC000190612013 545924162 /nfs/dbraw/zinc/92/41/62/545924162.db2.gz FAYUVBKMLIGDLB-UHFFFAOYSA-N 0 0 300.318 0.604 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000193328413 545931143 /nfs/dbraw/zinc/93/11/43/545931143.db2.gz ITYZVTSTFNTYBS-VXGBXAGGSA-N 0 0 318.377 0.797 10 0 DCAERN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccn1C ZINC000194919789 545932851 /nfs/dbraw/zinc/93/28/51/545932851.db2.gz ZVLBLHOJSGVRRZ-UHFFFAOYSA-N 0 0 321.402 0.953 10 0 DCAERN Cc1nc(CN2CCN(C(=O)c3ccn(C)c3C)CC2)no1 ZINC000195248018 545934497 /nfs/dbraw/zinc/93/44/97/545934497.db2.gz CEKHCPPPFQIYPF-UHFFFAOYSA-N 0 0 303.366 0.983 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](n2cncn2)C1 ZINC000246062332 545962935 /nfs/dbraw/zinc/96/29/35/545962935.db2.gz WJRLUNLSFOWPTF-QWHCGFSZSA-N 0 0 314.411 0.814 10 0 DCAERN CNC(=O)c1ccc(N2CCC(O)(C(F)(F)F)CC2)nn1 ZINC000314547969 546025215 /nfs/dbraw/zinc/02/52/15/546025215.db2.gz MXEBMYFBGNTQSI-UHFFFAOYSA-N 0 0 304.272 0.730 10 0 DCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@@H]1CCCC[C@@H]1O ZINC000332859479 546063725 /nfs/dbraw/zinc/06/37/25/546063725.db2.gz FXGCGMNQXBCWQT-TUAOUCFPSA-N 0 0 304.412 0.556 10 0 DCAERN C[C@@]12CN(C(=O)NCC(=O)N3CCOCC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333060549 546070735 /nfs/dbraw/zinc/07/07/35/546070735.db2.gz DSGDLMFYFJMARK-OEUWWYETSA-N 0 0 321.421 0.923 10 0 DCAERN COC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CCCO1 ZINC000333320329 546076726 /nfs/dbraw/zinc/07/67/26/546076726.db2.gz PHKDCLFBMCEIMT-PAPYEOQZSA-N 0 0 323.393 0.808 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333383517 546079475 /nfs/dbraw/zinc/07/94/75/546079475.db2.gz BUNPEZRYXWDDFN-SDDRHHMPSA-N 0 0 311.407 0.611 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333383518 546079599 /nfs/dbraw/zinc/07/95/99/546079599.db2.gz BUNPEZRYXWDDFN-SRVKXCTJSA-N 0 0 311.407 0.611 10 0 DCAERN C[C@@H](O)[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCO1 ZINC000333608530 546086713 /nfs/dbraw/zinc/08/67/13/546086713.db2.gz ROGGBJBLUZXKPR-QHSBEEBCSA-N 0 0 323.393 0.496 10 0 DCAERN C[C@@]12CN(C(=O)NCCN3CCNC(=O)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333598068 546086778 /nfs/dbraw/zinc/08/67/78/546086778.db2.gz MDAANXPTCMIYKI-FHIRATQRSA-N 0 0 320.437 0.496 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](N[C@@H]1CCCOC1)C(F)(F)F ZINC000336811423 546097638 /nfs/dbraw/zinc/09/76/38/546097638.db2.gz MXLFTAZAARFKRO-BDAKNGLRSA-N 0 0 304.334 0.577 10 0 DCAERN Cc1cn2nc(NCCCN3CCCS3(=O)=O)sc2n1 ZINC000585744938 546304236 /nfs/dbraw/zinc/30/42/36/546304236.db2.gz VJBUEZQKZWXKSD-UHFFFAOYSA-N 0 0 315.424 0.937 10 0 DCAERN CC(C)COc1cncc(N2CC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000671467472 547218912 /nfs/dbraw/zinc/21/89/12/547218912.db2.gz XULGKXCTLLVYCO-HNNXBMFYSA-N 0 0 318.381 0.744 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)c(F)c1 ZINC000681821405 548299227 /nfs/dbraw/zinc/29/92/27/548299227.db2.gz QRPGJPAYGDTBNW-JTQLQIEISA-N 0 0 300.355 0.891 10 0 DCAERN CCOC(=O)c1nnc(-n2cc(S(C)(=O)=O)cn2)s1 ZINC000725251102 548749350 /nfs/dbraw/zinc/74/93/50/548749350.db2.gz VVCPTGGIBRIWQZ-UHFFFAOYSA-N 0 0 302.337 0.304 10 0 DCAERN COC(=O)[C@]1(O)CCN(C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000685960895 548749420 /nfs/dbraw/zinc/74/94/20/548749420.db2.gz GORRFJVOQULAER-BBRMVZONSA-N 0 0 322.361 0.521 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2F)CCS1(=O)=O ZINC000707406557 667438722 /nfs/dbraw/zinc/43/87/22/667438722.db2.gz CAOGWQXJIQCXRR-MRVPVSSYSA-N 0 0 308.356 0.028 10 0 DCAERN C[C@@H]1CN(Cn2nnn(C(C)(C)C)c2=S)CCS1(=O)=O ZINC000151607178 664708333 /nfs/dbraw/zinc/70/83/33/664708333.db2.gz HWEIDHVCSHXSSZ-SECBINFHSA-N 0 0 319.456 0.640 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)cnn1-c1ccncc1 ZINC000888092919 661151598 /nfs/dbraw/zinc/15/15/98/661151598.db2.gz NEQCHCSEVCCDAR-QMTHXVAHSA-N 0 0 313.361 0.973 10 0 DCAERN CNC(=O)[C@H]1CC(=O)N(C2CN(c3ccnc(C4CC4)n3)C2)C1 ZINC000888098354 661177106 /nfs/dbraw/zinc/17/71/06/661177106.db2.gz GKJQQAAFFZZLPY-NSHDSACASA-N 0 0 315.377 0.137 10 0 DCAERN O=C(Cc1ncccc1F)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000888103311 661185043 /nfs/dbraw/zinc/18/50/43/661185043.db2.gz VCBSGDXTFWIZKT-GHJWDPDVSA-N 0 0 321.352 0.706 10 0 DCAERN COc1ccnc(N2CCN(C(=O)c3noc(C)n3)CC2)n1 ZINC000179928456 665413145 /nfs/dbraw/zinc/41/31/45/665413145.db2.gz OMEUXVYRKSHADH-UHFFFAOYSA-N 0 0 304.310 0.139 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1nnc(C)s1 ZINC000353197817 665414771 /nfs/dbraw/zinc/41/47/71/665414771.db2.gz XMGXNEAJEJJCIO-IMTBSYHQSA-N 0 0 300.409 0.945 10 0 DCAERN CCOC(=O)c1cn(CN2CCC[C@H](NC(C)=O)C2)nc1C ZINC000068314390 665415083 /nfs/dbraw/zinc/41/50/83/665415083.db2.gz MGKGOBRQQMTDJN-ZDUSSCGKSA-N 0 0 308.382 0.926 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c1C ZINC000722585018 657463573 /nfs/dbraw/zinc/46/35/73/657463573.db2.gz PATFXMYHPLWGAX-RYUDHWBXSA-N 0 0 319.448 0.895 10 0 DCAERN CNC(=O)CC(=O)NNC(=O)c1cccc(Br)c1 ZINC000187360062 657580840 /nfs/dbraw/zinc/58/08/40/657580840.db2.gz XEDROVXRUFTHGQ-UHFFFAOYSA-N 0 0 314.139 0.346 10 0 DCAERN Cc1nnc(SCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)n1N ZINC000255123600 657607495 /nfs/dbraw/zinc/60/74/95/657607495.db2.gz FHWPDKCTKRSQQI-MRVPVSSYSA-N 0 0 321.410 0.621 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCCN(C=O)CC1 ZINC000722627687 657764491 /nfs/dbraw/zinc/76/44/91/657764491.db2.gz NZEKGZXJWPHBSD-LBPRGKRZSA-N 0 0 311.382 0.687 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000187583187 657805071 /nfs/dbraw/zinc/80/50/71/657805071.db2.gz ZEQQVWXCKSZZEA-SDDRHHMPSA-N 0 0 312.391 0.244 10 0 DCAERN CN(C[C@@H]1CCCO1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000074720443 657901518 /nfs/dbraw/zinc/90/15/18/657901518.db2.gz UHFDRFMVOQXQNJ-KGLIPLIRSA-N 0 0 320.393 0.406 10 0 DCAERN C[C@@](O)(CN1CCS(=O)(=O)CC1)C(F)(F)C(F)(F)F ZINC000724095837 657958162 /nfs/dbraw/zinc/95/81/62/657958162.db2.gz DRKSSRQXQIOCGQ-SSDOTTSWSA-N 0 0 311.272 0.665 10 0 DCAERN CN(CCS(C)(=O)=O)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724096884 657958268 /nfs/dbraw/zinc/95/82/68/657958268.db2.gz QDAJZNMVSNKIAQ-SSDOTTSWSA-N 0 0 313.288 0.911 10 0 DCAERN COc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2CO)c(C)c1 ZINC000168671474 657961182 /nfs/dbraw/zinc/96/11/82/657961182.db2.gz OXAIVKKQANKPBQ-GFCCVEGCSA-N 0 0 315.391 0.694 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000725070689 658106790 /nfs/dbraw/zinc/10/67/90/658106790.db2.gz BSKSRPXIHQCQIB-SECBINFHSA-N 0 0 324.449 0.416 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000725070691 658107040 /nfs/dbraw/zinc/10/70/40/658107040.db2.gz BSKSRPXIHQCQIB-VIFPVBQESA-N 0 0 324.449 0.416 10 0 DCAERN C[C@@H](CC(F)(F)F)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721578402 658137006 /nfs/dbraw/zinc/13/70/06/658137006.db2.gz TWEZOHBZUXZIIQ-ZETCQYMHSA-N 0 0 302.318 0.902 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N(C)CC(C)(CO)CO ZINC000725121231 658192094 /nfs/dbraw/zinc/19/20/94/658192094.db2.gz DYSUYDUJKGPYKX-UHFFFAOYSA-N 0 0 307.437 0.976 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)OCCn2cncn2)c1 ZINC000255626515 658397899 /nfs/dbraw/zinc/39/78/99/658397899.db2.gz NWCYQULANUOESV-IHWYPQMZSA-N 0 0 301.306 0.289 10 0 DCAERN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1Cl ZINC000724545604 658432940 /nfs/dbraw/zinc/43/29/40/658432940.db2.gz DLVSAVUDZKTBNQ-UTLUCORTSA-N 0 0 318.782 0.817 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)/C=C\c2ccccc2)O1 ZINC000255712279 658489895 /nfs/dbraw/zinc/48/98/95/658489895.db2.gz JBPFKIYLNRXFGH-MYSQMOAQSA-N 0 0 310.375 0.610 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnnc1[S@@](C)=O ZINC000255050589 658515256 /nfs/dbraw/zinc/51/52/56/658515256.db2.gz GSSMGQOCELFWRF-PVBMHHQDSA-N 0 0 322.394 0.244 10 0 DCAERN COC(=O)c1nc(C(=O)N2C[C@H](CO)OC[C@H]2C)cs1 ZINC000721417706 658636328 /nfs/dbraw/zinc/63/63/28/658636328.db2.gz BUZKWFWZCCATBS-HTQZYQBOSA-N 0 0 300.336 0.152 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1C1CCOCC1 ZINC000888076190 658710114 /nfs/dbraw/zinc/71/01/14/658710114.db2.gz HFMPSCDRIZMYNR-NSHDSACASA-N 0 0 318.377 0.797 10 0 DCAERN Cn1cnc2c1nccc2C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079216 658729877 /nfs/dbraw/zinc/72/98/77/658729877.db2.gz LTPYPVVTZCTDQD-DMDPSCGWSA-N 0 0 312.333 0.269 10 0 DCAERN COC(=O)c1nc(C(=O)N[C@@H](C)CC[S@@](C)=O)cs1 ZINC000721434692 658739158 /nfs/dbraw/zinc/73/91/58/658739158.db2.gz MFFQSMHHXFWNTA-ZDVLTJLQSA-N 0 0 304.393 0.817 10 0 DCAERN COC(=O)c1nc(C(=O)N[C@H](C)CC[S@@](C)=O)cs1 ZINC000721434679 658739213 /nfs/dbraw/zinc/73/92/13/658739213.db2.gz MFFQSMHHXFWNTA-QOLSBQFWSA-N 0 0 304.393 0.817 10 0 DCAERN CCC(CC)N(CCOC)S(=O)(=O)c1cnc(N)nc1 ZINC000050676559 658804921 /nfs/dbraw/zinc/80/49/21/658804921.db2.gz CSYZYAHOEYOUND-UHFFFAOYSA-N 0 0 302.400 0.885 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000181616724 665628278 /nfs/dbraw/zinc/62/82/78/665628278.db2.gz OJEALPGAKSMLEE-UONOGXRCSA-N 0 0 312.410 0.897 10 0 DCAERN CNC(=O)N1CCN(Cc2cn(C)nc2Br)CC1 ZINC000722187045 659106869 /nfs/dbraw/zinc/10/68/69/659106869.db2.gz QHJNDEJKEFKOSK-UHFFFAOYSA-N 0 0 316.203 0.640 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnc(OC)s1 ZINC000312295280 659244255 /nfs/dbraw/zinc/24/42/55/659244255.db2.gz ACJADCBHCQVEIK-QMMMGPOBSA-N 0 0 320.392 0.868 10 0 DCAERN COc1cc(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)ncn1 ZINC000185607835 659253903 /nfs/dbraw/zinc/25/39/03/659253903.db2.gz PIZLMZJMPPQMBR-UHFFFAOYSA-N 0 0 319.325 0.370 10 0 DCAERN O=C(c1ccc(Br)cn1)N1CCOC[C@H]1CO ZINC000168171947 659322240 /nfs/dbraw/zinc/32/22/40/659322240.db2.gz KFKIOMDCCAAQDQ-SECBINFHSA-N 0 0 301.140 0.677 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1)C(C)C ZINC000178437139 659524315 /nfs/dbraw/zinc/52/43/15/659524315.db2.gz ORFVIWYWFPUSCD-BBRMVZONSA-N 0 0 307.394 0.964 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)N1CCc2ccccc21 ZINC000178565746 661316598 /nfs/dbraw/zinc/31/65/98/661316598.db2.gz PTBNRGITLMSSKP-ZYHUDNBSSA-N 0 0 301.346 0.359 10 0 DCAERN C[C@H](N)c1nc(C(=O)NCCC(=O)N2CCOCC2)cs1 ZINC000124176165 661342584 /nfs/dbraw/zinc/34/25/84/661342584.db2.gz CGQMZDZPBLJENK-VIFPVBQESA-N 0 0 312.395 0.142 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C2OCCO2)CC1 ZINC000726773757 661667974 /nfs/dbraw/zinc/66/79/74/661667974.db2.gz RWXADXAJHPOIIF-GFCCVEGCSA-N 0 0 314.407 0.519 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000338932449 661807373 /nfs/dbraw/zinc/80/73/73/661807373.db2.gz AMKHSMAGBVFZBA-QWHCGFSZSA-N 0 0 321.402 0.121 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ncccc1N(C)C ZINC000356952548 665801080 /nfs/dbraw/zinc/80/10/80/665801080.db2.gz SVXPPGQWWMRARA-CYBMUJFWSA-N 0 0 308.407 0.685 10 0 DCAERN O=C1C[C@@H](CNc2ncc(I)cn2)CN1 ZINC000307573459 662023969 /nfs/dbraw/zinc/02/39/69/662023969.db2.gz GFEVTCLHQOQLDH-ZCFIWIBFSA-N 0 0 318.118 0.629 10 0 DCAERN COC[C@@]1(C(N)=O)CCCN1Cc1nc(Br)c[nH]1 ZINC000895044448 662045457 /nfs/dbraw/zinc/04/54/57/662045457.db2.gz UNGPLVFQPRMINV-LLVKDONJSA-N 0 0 317.187 0.639 10 0 DCAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H]2CCOC2)cc1 ZINC000179013837 662109996 /nfs/dbraw/zinc/10/99/96/662109996.db2.gz GNVGAUUNNQLNFV-LVDDQXARSA-N 0 0 310.375 0.976 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](c1nncn1C)C(C)C ZINC000340738185 662110010 /nfs/dbraw/zinc/11/00/10/662110010.db2.gz GZMVQNGBGATBIQ-QWRGUYRKSA-N 0 0 311.411 0.550 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000121008410 662123484 /nfs/dbraw/zinc/12/34/84/662123484.db2.gz UVPLQTNZFSTYTN-LLVKDONJSA-N 0 0 305.382 0.866 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)CNC(=O)c1ccc(O)cc1 ZINC000727539529 662184922 /nfs/dbraw/zinc/18/49/22/662184922.db2.gz CEDYSGNGBNGYDF-UHFFFAOYSA-N 0 0 320.345 0.534 10 0 DCAERN COCCS(=O)(=O)CC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000727668903 662218612 /nfs/dbraw/zinc/21/86/12/662218612.db2.gz ABYUFJVNUPFYNI-VIFPVBQESA-N 0 0 306.409 0.690 10 0 DCAERN CCOCCOCC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000121177045 662242023 /nfs/dbraw/zinc/24/20/23/662242023.db2.gz FKYRKEQXQGLQKC-OKILXGFUSA-N 0 0 302.415 0.607 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000346674750 662428285 /nfs/dbraw/zinc/42/82/85/662428285.db2.gz CFDFVZIUUVRPPX-MANBZWLTSA-N 0 0 304.437 0.276 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000342856078 662628379 /nfs/dbraw/zinc/62/83/79/662628379.db2.gz BWBMKOFWZRNDHG-STQMWFEESA-N 0 0 316.423 0.610 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)c1Cl ZINC000721871486 662734876 /nfs/dbraw/zinc/73/48/76/662734876.db2.gz OKAOBUIUOOSQJJ-MRVPVSSYSA-N 0 0 307.803 0.855 10 0 DCAERN Cc1c(C(=O)NNC(=O)CO)cnn1-c1ccccc1Cl ZINC000182742225 665896541 /nfs/dbraw/zinc/89/65/41/665896541.db2.gz CXIVCWCKDWUHTK-UHFFFAOYSA-N 0 0 308.725 0.587 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H](C)O ZINC000344896993 663079777 /nfs/dbraw/zinc/07/97/77/663079777.db2.gz FAQXOZBMXZQCMX-ZJUUUORDSA-N 0 0 301.364 0.896 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccnc2[nH]c(C)nc21 ZINC000435461296 663198323 /nfs/dbraw/zinc/19/83/23/663198323.db2.gz WCTMCVPGJMZNRM-MRVPVSSYSA-N 0 0 310.379 0.819 10 0 DCAERN CCn1ncc2c1CCC[C@@H]2NC(=O)c1cn(C)c(=O)n1C ZINC000900940217 663296232 /nfs/dbraw/zinc/29/62/32/663296232.db2.gz FHTXRUOROAMOOT-NSHDSACASA-N 0 0 303.366 0.748 10 0 DCAERN O=C(CNC(=O)N1CCCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000901077365 663315153 /nfs/dbraw/zinc/31/51/53/663315153.db2.gz XEHLSBBFAHSZQH-AWEZNQCLSA-N 0 0 318.377 0.867 10 0 DCAERN CC(C)(O)[C@H](O)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000901247874 663333129 /nfs/dbraw/zinc/33/31/29/663333129.db2.gz YFJIOXMNBRXTEA-JIMOISOXSA-N 0 0 315.316 0.731 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000908111222 663734051 /nfs/dbraw/zinc/73/40/51/663734051.db2.gz RDKHHMTXKFVEEE-MJBXVCDLSA-N 0 0 310.394 0.409 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909173024 663785714 /nfs/dbraw/zinc/78/57/14/663785714.db2.gz LUOBWKUUVGXJJL-BZPMIXESSA-N 0 0 319.365 0.103 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000163677654 664355377 /nfs/dbraw/zinc/35/53/77/664355377.db2.gz QNENTHQUTBRKBE-RKDXNWHRSA-N 0 0 324.768 0.786 10 0 DCAERN COc1ccc(-n2cc(C(=O)N(C)CCO)ccc2=O)cc1 ZINC000223317776 664407457 /nfs/dbraw/zinc/40/74/57/664407457.db2.gz NCKXCHBSFJMHHC-UHFFFAOYSA-N 0 0 302.330 0.910 10 0 DCAERN CCc1nccn1CCCNC(=O)c1nn2c(c1F)OCC2 ZINC000223843435 664424190 /nfs/dbraw/zinc/42/41/90/664424190.db2.gz IDKCZRXLORHFLI-UHFFFAOYSA-N 0 0 307.329 0.994 10 0 DCAERN Cc1nc(N[C@H]2CCS(=O)(=O)C2)c2c(n1)N[C@H](C)C(=O)N2 ZINC000224020622 664428443 /nfs/dbraw/zinc/42/84/43/664428443.db2.gz GCCYLPXTXGAWPW-SVRRBLITSA-N 0 0 311.367 0.137 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N[C@H]1COc2ccccc21 ZINC000165900142 664430839 /nfs/dbraw/zinc/43/08/39/664430839.db2.gz RBRIOMIOFVXLBO-PWSUYJOCSA-N 0 0 310.375 0.997 10 0 DCAERN CC(=O)NC[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157418099 664470697 /nfs/dbraw/zinc/47/06/97/664470697.db2.gz LWOFVEOYBDFUKO-VXNVDRBHSA-N 0 0 310.272 0.465 10 0 DCAERN CC(C)N1C(=O)CN(CN2CCN(c3cccnn3)CC2)C1=O ZINC000171025744 664600613 /nfs/dbraw/zinc/60/06/13/664600613.db2.gz VMFQNIFNOWIIKO-UHFFFAOYSA-N 0 0 318.381 0.229 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)NCCc2nc(C)no2)c1 ZINC000171845729 664613353 /nfs/dbraw/zinc/61/33/53/664613353.db2.gz ULHDBXYKIIUECS-CYBMUJFWSA-N 0 0 320.349 0.962 10 0 DCAERN CNc1cnc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cn1 ZINC000230109738 664615039 /nfs/dbraw/zinc/61/50/39/664615039.db2.gz MNWWERZUPVMTOR-SNVBAGLBSA-N 0 0 316.408 0.078 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)c1ccsc1 ZINC000172407733 664621121 /nfs/dbraw/zinc/62/11/21/664621121.db2.gz YBYJXFHCZAPYFU-LBPRGKRZSA-N 0 0 305.359 0.723 10 0 DCAERN Cc1nn(C)cc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000172753204 664624866 /nfs/dbraw/zinc/62/48/66/664624866.db2.gz NWLRBRFHXWQGCK-UHFFFAOYSA-N 0 0 321.362 0.165 10 0 DCAERN CC(C)C[C@@H]1NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961707 664626058 /nfs/dbraw/zinc/62/60/58/664626058.db2.gz GABZZYNUFKXXNF-KBPBESRZSA-N 0 0 324.425 0.317 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCCCC1 ZINC000730310191 664683124 /nfs/dbraw/zinc/68/31/24/664683124.db2.gz JYESTEKWYJPFDN-LLVKDONJSA-N 0 0 300.380 0.464 10 0 DCAERN CCOCc1nc(Cl)cc(N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000130149939 664692762 /nfs/dbraw/zinc/69/27/62/664692762.db2.gz PWABYANGKBBVLA-VIFPVBQESA-N 0 0 311.773 0.880 10 0 DCAERN CC(C)[C@]1(C)CC(=O)N(CN2CCS(=O)(=O)[C@@H](C)C2)C1=O ZINC000151570295 664701226 /nfs/dbraw/zinc/70/12/26/664701226.db2.gz OYLJNAUJCYSNIS-FZMZJTMJSA-N 0 0 316.423 0.484 10 0 DCAERN CCOCc1nc(Cl)cc(N2CCC(O)(CO)CC2)n1 ZINC000314312843 664752295 /nfs/dbraw/zinc/75/22/95/664752295.db2.gz DGCLQCYEQKGAGJ-UHFFFAOYSA-N 0 0 301.774 0.990 10 0 DCAERN CC(C)N1C(=O)CN(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152812880 664774913 /nfs/dbraw/zinc/77/49/13/664774913.db2.gz ABAXZYPEQZDBON-ZDUSSCGKSA-N 0 0 321.381 0.214 10 0 DCAERN COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1=COCCC1 ZINC000730852244 664820429 /nfs/dbraw/zinc/82/04/29/664820429.db2.gz KSHPAEWHMZTLMJ-SECBINFHSA-N 0 0 300.311 0.085 10 0 DCAERN CC[S@@](=O)CCNC(=O)N(C)Cc1nnc2ccccn21 ZINC000741423554 664842811 /nfs/dbraw/zinc/84/28/11/664842811.db2.gz FRWLTOYKGVYALQ-OAQYLSRUSA-N 0 0 309.395 0.639 10 0 DCAERN O=C(NCCOC[C@@H]1CCOC1)NC[C@H](O)C(F)(F)F ZINC000731762386 664883574 /nfs/dbraw/zinc/88/35/74/664883574.db2.gz ATGMMGICTUHANR-BDAKNGLRSA-N 0 0 300.277 0.262 10 0 DCAERN COCCCS(=O)(=O)Oc1ccc(N(C)C(N)=O)cc1 ZINC000732219975 664909261 /nfs/dbraw/zinc/90/92/61/664909261.db2.gz QQESEMGEVOZVDV-UHFFFAOYSA-N 0 0 302.352 0.947 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000154076350 665073214 /nfs/dbraw/zinc/07/32/14/665073214.db2.gz JZGLEJRBAMAAFU-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN CNC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccccc2)CCCC1 ZINC000733145148 665076891 /nfs/dbraw/zinc/07/68/91/665076891.db2.gz SWKLGJPYPYWSLC-LBPRGKRZSA-N 0 0 317.389 0.980 10 0 DCAERN CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000068056634 665393271 /nfs/dbraw/zinc/39/32/71/665393271.db2.gz NSDIIPAMJYCKHF-LLVKDONJSA-N 0 0 304.412 0.184 10 0 DCAERN C[C@@](O)(CNC(=O)NCCCn1ccnn1)c1ccsc1 ZINC000183549704 666067617 /nfs/dbraw/zinc/06/76/17/666067617.db2.gz AWOIJBQCPQBIBA-CYBMUJFWSA-N 0 0 309.395 0.937 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccccc1C=O ZINC000071959314 666191229 /nfs/dbraw/zinc/19/12/29/666191229.db2.gz VDADGZZZVGZBLS-VXGBXAGGSA-N 0 0 304.346 0.990 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCO[C@]3(CCOC3)C2)C1=O ZINC000184265183 666193324 /nfs/dbraw/zinc/19/33/24/666193324.db2.gz DOJQRIUDJHUGPZ-HZPDHXFCSA-N 0 0 310.394 0.856 10 0 DCAERN O[C@@H](Cn1ccnc1[C@@H](O)c1ccccc1)CN1CCOCC1 ZINC000184748576 666269428 /nfs/dbraw/zinc/26/94/28/666269428.db2.gz MSWMARQDSZLMHR-CVEARBPZSA-N 0 0 317.389 0.658 10 0 DCAERN CN(C)S(=O)(=O)CCCOC(=O)c1cnn2c1CCCC2 ZINC000184814693 666285146 /nfs/dbraw/zinc/28/51/46/666285146.db2.gz BZVWOIVCFUELCK-UHFFFAOYSA-N 0 0 315.395 0.658 10 0 DCAERN O=C(Cc1ccoc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000185106346 666334305 /nfs/dbraw/zinc/33/43/05/666334305.db2.gz QJDLQDVOGDSFEQ-HIFRSBDPSA-N 0 0 320.301 0.941 10 0 DCAERN COC(=O)c1cn(CN2CCC(C(=O)C(F)(F)F)CC2)nn1 ZINC000185109550 666335048 /nfs/dbraw/zinc/33/50/48/666335048.db2.gz GYNLMTINNIHHKI-UHFFFAOYSA-N 0 0 320.271 0.866 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCc1ccnn1C ZINC000186620325 666554582 /nfs/dbraw/zinc/55/45/82/666554582.db2.gz GVSAHHZAWJYZAP-GFCCVEGCSA-N 0 0 317.397 0.951 10 0 DCAERN Cn1nccc1CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000186732131 666585917 /nfs/dbraw/zinc/58/59/17/666585917.db2.gz AGNWCWQMOREXPQ-CQSZACIVSA-N 0 0 307.398 0.079 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1ncsc1Br ZINC000700142456 666685618 /nfs/dbraw/zinc/68/56/18/666685618.db2.gz CZQOVXLBRHXXHI-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCO[C@H](CCF)C2)c1Cl ZINC000700578267 666734675 /nfs/dbraw/zinc/73/46/75/666734675.db2.gz JUPBTLQLVJYPPG-MRVPVSSYSA-N 0 0 311.766 0.823 10 0 DCAERN COCCS(=O)(=O)CCCOC(=O)Cc1cccc(O)c1 ZINC000733471302 666746225 /nfs/dbraw/zinc/74/62/25/666746225.db2.gz PYVPHGLDPIGGCO-UHFFFAOYSA-N 0 0 316.375 0.929 10 0 DCAERN CCCCC(=O)N1CSC[C@@H]1C(=O)NCC[S@](=O)CC ZINC000733959910 666832313 /nfs/dbraw/zinc/83/23/13/666832313.db2.gz PFMGXKPYJYXMCC-BIBXISHDSA-N 0 0 320.480 0.963 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000701239186 666819632 /nfs/dbraw/zinc/81/96/32/666819632.db2.gz DMXNWZRHAFLCMF-RVBZMBCESA-N 0 0 302.396 0.564 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)NCC[S@@](=O)CC)C1 ZINC000733879343 666823331 /nfs/dbraw/zinc/82/33/31/666823331.db2.gz MBUCSRJEWQLUEE-ODXCJYRJSA-N 0 0 302.440 0.910 10 0 DCAERN CC[S@](=O)CCNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000733882876 666823837 /nfs/dbraw/zinc/82/38/37/666823837.db2.gz QUFBPRKRRUXWGK-QFIPXVFZSA-N 0 0 324.402 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000733881408 666823844 /nfs/dbraw/zinc/82/38/44/666823844.db2.gz DSOYBIVKZUNJJD-OAQYLSRUSA-N 0 0 306.391 0.825 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000733966130 666833088 /nfs/dbraw/zinc/83/30/88/666833088.db2.gz OHKDINJGXDELBP-SQFXPLBJSA-N 0 0 317.440 0.373 10 0 DCAERN Cn1cc(C(=O)Nc2ccc3c(c2)CCCO3)c(=O)n(C)c1=O ZINC000735006606 666933911 /nfs/dbraw/zinc/93/39/11/666933911.db2.gz CCPDYAIXLOUTFC-UHFFFAOYSA-N 0 0 315.329 0.661 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000735079805 666947118 /nfs/dbraw/zinc/94/71/18/666947118.db2.gz GOJRFRRVDDYWLN-GOSISDBHSA-N 0 0 301.393 0.610 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000735108149 666947273 /nfs/dbraw/zinc/94/72/73/666947273.db2.gz NINQNLFKHVCZHO-ASSNKEHSSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(=O)NC1CCCCC1 ZINC000735109282 666947318 /nfs/dbraw/zinc/94/73/18/666947318.db2.gz BHTVCEIVMZRKHK-FQEVSTJZSA-N 0 0 303.428 0.503 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000735081628 666948488 /nfs/dbraw/zinc/94/84/88/666948488.db2.gz UEOONAQTQRHHSC-QGZVFWFLSA-N 0 0 310.828 0.923 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000735112364 666954669 /nfs/dbraw/zinc/95/46/69/666954669.db2.gz VGJUQPGUKKYJAX-MHNGPXOMSA-N 0 0 312.457 0.218 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccn[nH]2)[C@H](O)C1 ZINC000702789313 666993893 /nfs/dbraw/zinc/99/38/93/666993893.db2.gz DLWSUZNIFKQREQ-MWLCHTKSSA-N 0 0 310.354 0.367 10 0 DCAERN Cn1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 ZINC000702816087 666999026 /nfs/dbraw/zinc/99/90/26/666999026.db2.gz BONQYTJBPMGJTE-CMPLNLGQSA-N 0 0 324.381 0.378 10 0 DCAERN CCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811292 666999195 /nfs/dbraw/zinc/99/91/95/666999195.db2.gz GBGLNJFFAFMXHB-MNOVXSKESA-N 0 0 302.371 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000702818800 666999527 /nfs/dbraw/zinc/99/95/27/666999527.db2.gz ZIKWZBFRTUHFRT-JQWIXIFHSA-N 0 0 309.366 0.972 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000702817675 666999893 /nfs/dbraw/zinc/99/98/93/666999893.db2.gz UCLHJVDZWRLWIQ-QJPTWQEYSA-N 0 0 314.382 0.509 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cn2ccnc2)[C@H](O)C1 ZINC000702830314 667001526 /nfs/dbraw/zinc/00/15/26/667001526.db2.gz JYQPVFVTQLXLMB-VXGBXAGGSA-N 0 0 324.381 0.227 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C=Cc3cnn(C)c3)CC2)[nH]1 ZINC000735822861 667040615 /nfs/dbraw/zinc/04/06/15/667040615.db2.gz HTMISHDGJDKSBT-ARJAWSKDSA-N 0 0 315.381 0.204 10 0 DCAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCCNC(N)=O)cc1 ZINC000736109704 667103076 /nfs/dbraw/zinc/10/30/76/667103076.db2.gz VPHBZEHCEJFFFU-GFCCVEGCSA-N 0 0 321.377 0.760 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CCS(=O)(=O)C2CCCCC2)C1 ZINC000704088143 667178152 /nfs/dbraw/zinc/17/81/52/667178152.db2.gz XENCWFWTSXVPIO-STQMWFEESA-N 0 0 305.440 0.816 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(Cn2nc(COC)oc2=O)C1 ZINC000119630600 667178435 /nfs/dbraw/zinc/17/84/35/667178435.db2.gz JABXHXQYKGVGBP-NSHDSACASA-N 0 0 312.370 0.321 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708144124 667442074 /nfs/dbraw/zinc/44/20/74/667442074.db2.gz KLEQVANOXBCYHG-UHFFFAOYSA-N 0 0 301.368 0.581 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)Cc1cccc(O)c1 ZINC000708263858 667442467 /nfs/dbraw/zinc/44/24/67/667442467.db2.gz LSNYCFHDUULCDT-UHFFFAOYSA-N 0 0 300.380 0.379 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1csc(Br)n1 ZINC000709610081 667445534 /nfs/dbraw/zinc/44/55/34/667445534.db2.gz IYSOWMUVYZGXRK-SCSAIBSYSA-N 0 0 318.152 0.441 10 0 DCAERN O=S(=O)(N1CCNCC1)N1CCCC[C@@H]1c1nccs1 ZINC000710537241 667445762 /nfs/dbraw/zinc/44/57/62/667445762.db2.gz KBNYDUNOELTBGB-LLVKDONJSA-N 0 0 316.452 0.820 10 0 DCAERN O=C(c1cccnc1-n1cccn1)N1CCO[C@]2(CCOC2)C1 ZINC000187170162 667538650 /nfs/dbraw/zinc/53/86/50/667538650.db2.gz IKFBPKMDFDJIMS-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000717324483 667624696 /nfs/dbraw/zinc/62/46/96/667624696.db2.gz VJYPXVGLANNPJT-SSDOTTSWSA-N 0 0 301.290 0.618 10 0 DCAERN CCN1CC[C@H]1CNC(=O)c1c(Br)nnn1C ZINC000712313607 667626437 /nfs/dbraw/zinc/62/64/37/667626437.db2.gz IXQQQTWCAFQSLR-ZETCQYMHSA-N 0 0 302.176 0.402 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ncnc(N)c3Cl)C[C@@H]21 ZINC000886035967 667726431 /nfs/dbraw/zinc/72/64/31/667726431.db2.gz VUQWASRFNAGDNB-UWVGGRQHSA-N 0 0 311.773 0.538 10 0 DCAERN COc1nnccc1NC(=O)CN1CCCC[C@H](OC)C1=O ZINC000886078104 667729122 /nfs/dbraw/zinc/72/91/22/667729122.db2.gz LTFXDFPXNRFARP-NSHDSACASA-N 0 0 308.338 0.451 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2cc(C)nn2C)C1=O ZINC000886078507 667729447 /nfs/dbraw/zinc/72/94/47/667729447.db2.gz YXKODPXFLCIPRL-CYBMUJFWSA-N 0 0 308.382 0.372 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC000886081959 667730275 /nfs/dbraw/zinc/73/02/75/667730275.db2.gz LNGMOQZYODNCFV-RISCZKNCSA-N 0 0 318.381 0.673 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@@H](O)[C@@H](C)O ZINC000717384555 667743704 /nfs/dbraw/zinc/74/37/04/667743704.db2.gz JCXIRLKFHQTTBA-GMSGAONNSA-N 0 0 305.172 0.742 10 0 DCAERN CC(=O)Oc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000123218193 667746907 /nfs/dbraw/zinc/74/69/07/667746907.db2.gz PAOKZENGFRYOMS-ZDUSSCGKSA-N 0 0 312.391 0.735 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000741074436 667758251 /nfs/dbraw/zinc/75/82/51/667758251.db2.gz MATRYJWVFDDZAT-PRWKNARSSA-N 0 0 301.412 0.950 10 0 DCAERN CCCCCCNC(=O)CN1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123394704 667771683 /nfs/dbraw/zinc/77/16/83/667771683.db2.gz UKLTZHFTUOWZPR-OLZOCXBDSA-N 0 0 300.399 0.945 10 0 DCAERN Cc1cn2ccnc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)c2n1 ZINC000887002759 667831734 /nfs/dbraw/zinc/83/17/34/667831734.db2.gz NUANUFLGWNOCHS-VXGBXAGGSA-N 0 0 316.361 0.698 10 0 DCAERN CNC(=O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555711 667869480 /nfs/dbraw/zinc/86/94/80/667869480.db2.gz VTWKTHUEUKDEOG-UHFFFAOYSA-N 0 0 302.743 0.012 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCCO3)CCO1 ZINC000747780458 667912095 /nfs/dbraw/zinc/91/20/95/667912095.db2.gz KNJGJRFYIXHABI-CTGSTSKSSA-N 0 0 318.329 0.184 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NC[C@H]1Cc2ccccc21 ZINC000126549039 668622882 /nfs/dbraw/zinc/62/28/82/668622882.db2.gz VVHINVUODGHSNP-CHWSQXEVSA-N 0 0 308.403 0.219 10 0 DCAERN Cc1nn(C)c(C)c1CCOC(=O)CCCS(C)(=O)=O ZINC000126874894 668673514 /nfs/dbraw/zinc/67/35/14/668673514.db2.gz AEVVDJUQLIRTLQ-UHFFFAOYSA-N 0 0 302.396 0.947 10 0 DCAERN CCC[C@@H]1CCCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000212932023 669586933 /nfs/dbraw/zinc/58/69/33/669586933.db2.gz OXHWELWEHUTQBC-QWHCGFSZSA-N 0 0 302.440 0.944 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000132560965 669732183 /nfs/dbraw/zinc/73/21/83/669732183.db2.gz ALOZEPAAFSQIHP-OUAUKWLOSA-N 0 0 306.453 0.116 10 0 DCAERN CN1C[C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)CCC1=O ZINC000133317016 669798005 /nfs/dbraw/zinc/79/80/05/669798005.db2.gz ADOZMOWJGSCORX-NSHDSACASA-N 0 0 317.324 0.757 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1ccccc1F ZINC000047613776 669929923 /nfs/dbraw/zinc/92/99/23/669929923.db2.gz SKEJFVJEBAWHSE-UHFFFAOYSA-N 0 0 315.348 0.127 10 0 DCAERN C[C@H](CNC(=O)N[C@H](C)c1nnnn1C1CC1)N1CCOCC1 ZINC000190979294 669960366 /nfs/dbraw/zinc/96/03/66/669960366.db2.gz ATDYIYYGLQAQQT-GHMZBOCLSA-N 0 0 323.401 0.089 10 0 DCAERN NC(=O)c1coc(CNC(=O)NNc2cncc(Cl)n2)c1 ZINC000188035608 669975475 /nfs/dbraw/zinc/97/54/75/669975475.db2.gz ZPOPWQIHURIVKE-UHFFFAOYSA-N 0 0 310.701 0.648 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)c1ccccc1)N1CCOCC1 ZINC000078432498 670030302 /nfs/dbraw/zinc/03/03/02/670030302.db2.gz AZCZUCOELNUGIT-HIFRSBDPSA-N 0 0 307.394 0.740 10 0 DCAERN CCN1CN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1=O ZINC000191527678 670052146 /nfs/dbraw/zinc/05/21/46/670052146.db2.gz IFGRICYATFTQLF-MRVPVSSYSA-N 0 0 310.379 0.296 10 0 DCAERN CN(Cc1cn(C)nc1Br)C[C@@H]1CN(C)CCO1 ZINC000713821823 670170258 /nfs/dbraw/zinc/17/02/58/670170258.db2.gz NGSOKACLYLXLHC-NSHDSACASA-N 0 0 317.231 0.945 10 0 DCAERN Cn1cc(CN2C[C@H](CO)[C@H](CO)C2)c(Br)n1 ZINC000714076218 670175365 /nfs/dbraw/zinc/17/53/65/670175365.db2.gz DIZASJMBYJSEQW-AOOOYVTPSA-N 0 0 304.188 0.215 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2sc(C)cc2C)C1 ZINC000714463558 670188602 /nfs/dbraw/zinc/18/86/02/670188602.db2.gz FWLSAXWCNBCWFJ-UHFFFAOYSA-N 0 0 305.377 0.273 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000714471965 670189393 /nfs/dbraw/zinc/18/93/93/670189393.db2.gz INIKKJBSTJKTTR-UHFFFAOYSA-N 0 0 319.766 0.557 10 0 DCAERN CC(C)(C)n1nnc(C(=O)N[C@H]2CCCCC23OCCO3)n1 ZINC000716028007 670227585 /nfs/dbraw/zinc/22/75/85/670227585.db2.gz RSVOXBLJCFHQFH-JTQLQIEISA-N 0 0 309.370 0.844 10 0 DCAERN Nc1[nH]c(N2CCOCC2)nc(=O)c1-c1ccc2c(c1)OCO2 ZINC000757180098 670358960 /nfs/dbraw/zinc/35/89/60/670358960.db2.gz UIWIUWITGBECNM-UHFFFAOYSA-N 0 0 316.317 0.997 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081589394 670444971 /nfs/dbraw/zinc/44/49/71/670444971.db2.gz QZGLCIFJTYHVCK-GHMZBOCLSA-N 0 0 309.395 0.459 10 0 DCAERN CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1C ZINC000380346131 1158008002 /nfs/dbraw/zinc/00/80/02/1158008002.db2.gz XAHOLPMMXXJHFE-UHFFFAOYSA-N 0 0 320.802 0.641 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000116869293 671131892 /nfs/dbraw/zinc/13/18/92/671131892.db2.gz LNXRERBXNBJOJX-KBPBESRZSA-N 0 0 323.418 0.541 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2c3ccccc3oc2=O)C1 ZINC000116869944 671132300 /nfs/dbraw/zinc/13/23/00/671132300.db2.gz QDTQCVISTKUOMB-SNVBAGLBSA-N 0 0 311.363 0.176 10 0 DCAERN Nc1nc(NC[C@H]2CSCCS2)nc(C(F)(F)F)n1 ZINC000388809391 685255388 /nfs/dbraw/zinc/25/53/88/685255388.db2.gz QTAAPBGQKZZWIF-YFKPBYRVSA-N 0 0 311.358 0.985 10 0 DCAERN C[S@@](=O)C1(CNc2nc(N)nc(C(F)(F)F)n2)CCC1 ZINC000393711038 685264544 /nfs/dbraw/zinc/26/45/44/685264544.db2.gz KSNKQOSYMLOYQY-HXUWFJFHSA-N 0 0 309.317 0.438 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000395199513 685268505 /nfs/dbraw/zinc/26/85/05/685268505.db2.gz UZTYPGYTCXOPON-RKDXNWHRSA-N 0 0 307.803 0.855 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000456517376 685289205 /nfs/dbraw/zinc/28/92/05/685289205.db2.gz KWDYGEBHZIQDJB-RYUDHWBXSA-N 0 0 300.424 0.917 10 0 DCAERN COC(=O)c1cnc(NC[C@]2(OC)CCS(=O)(=O)C2)s1 ZINC000720881075 685316496 /nfs/dbraw/zinc/31/64/96/685316496.db2.gz MGKKHDSBKHTFHQ-LLVKDONJSA-N 0 0 320.392 0.545 10 0 DCAERN CO[C@@]1(CNC(=O)c2cccc(Cl)n2)CCS(=O)(=O)C1 ZINC000720849483 685316604 /nfs/dbraw/zinc/31/66/04/685316604.db2.gz YBZYQROAHRGKRK-GFCCVEGCSA-N 0 0 318.782 0.669 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000720902354 685316899 /nfs/dbraw/zinc/31/68/99/685316899.db2.gz VJDCNWDCRRDKTK-SRVKXCTJSA-N 0 0 304.412 0.078 10 0 DCAERN CCOc1nccnc1NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000721188745 685317861 /nfs/dbraw/zinc/31/78/61/685317861.db2.gz ZAVAXBWTNWDGQC-GFCCVEGCSA-N 0 0 301.368 0.491 10 0 DCAERN CC(C)(O)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000721812870 685319288 /nfs/dbraw/zinc/31/92/88/685319288.db2.gz SMZWRMVFFZYRQH-QWRGUYRKSA-N 0 0 304.412 0.030 10 0 DCAERN Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2C(N)=O)cn1 ZINC000049470443 685058767 /nfs/dbraw/zinc/05/87/67/685058767.db2.gz UYJRMCSBGKOYCV-UHFFFAOYSA-N 0 0 315.738 0.940 10 0 DCAERN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccoc1 ZINC000088805841 685092945 /nfs/dbraw/zinc/09/29/45/685092945.db2.gz SNUXFAAMYTYVST-VIFPVBQESA-N 0 0 313.335 0.423 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CC(c2cccnc2)=NO1 ZINC000190188221 685153431 /nfs/dbraw/zinc/15/34/31/685153431.db2.gz LDTIRQPVBOCYOE-CYBMUJFWSA-N 0 0 300.322 0.373 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1CO ZINC000190598697 685154088 /nfs/dbraw/zinc/15/40/88/685154088.db2.gz BGYSYYPRGPPTCE-PWSUYJOCSA-N 0 0 306.366 0.318 10 0 DCAERN Cc1ccccc1CNC(=O)C(=O)N1CCC2(CC1)OCCO2 ZINC000244275058 685155717 /nfs/dbraw/zinc/15/57/17/685155717.db2.gz WQSHHILMLDBBCK-UHFFFAOYSA-N 0 0 318.373 0.977 10 0 DCAERN C[C@H]1CN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000245426793 685156594 /nfs/dbraw/zinc/15/65/94/685156594.db2.gz LMRFDBGBKLFKPT-WCQYABFASA-N 0 0 322.434 0.733 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CN3C(=O)CC(C)(C)C3=O)[C@@H]2C1 ZINC000246857148 685167564 /nfs/dbraw/zinc/16/75/64/685167564.db2.gz QSDLNQMYONEYLC-JHJVBQTASA-N 0 0 310.394 0.997 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCC[C@H](Cn3nc(C)nc3C)C2)C1 ZINC000249388247 685179578 /nfs/dbraw/zinc/17/95/78/685179578.db2.gz RLNVJKITZKMBKX-GJZGRUSLSA-N 0 0 321.425 0.812 10 0 DCAERN CC(=O)N1CCC(NC(=O)CCNC(=O)c2cccs2)CC1 ZINC000198373268 1157557505 /nfs/dbraw/zinc/55/75/05/1157557505.db2.gz LCTKICSFFDYJDB-UHFFFAOYSA-N 0 0 323.418 0.995 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CN(C)NC2=O)sc1Br ZINC000393950639 1157896900 /nfs/dbraw/zinc/89/69/00/1157896900.db2.gz WHZJUUUEIWIRRF-ZCFIWIBFSA-N 0 0 318.196 0.894 10 0 DCAERN CNC(=O)NCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000397444849 1158099741 /nfs/dbraw/zinc/09/97/41/1158099741.db2.gz BNRPJUJVGDPMNR-UHFFFAOYSA-N 0 0 316.770 0.419 10 0 DCAERN Cn1nnc(CNC(=O)c2cc(Br)ccc2N)n1 ZINC000398059337 1158113113 /nfs/dbraw/zinc/11/31/13/1158113113.db2.gz BODVDWAPGRRNGW-UHFFFAOYSA-N 0 0 311.143 0.485 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NC[C@@H]1CNC(=O)C1 ZINC000398339550 1158116565 /nfs/dbraw/zinc/11/65/65/1158116565.db2.gz JWIKEYMKZUPIKV-ZETCQYMHSA-N 0 0 312.167 0.897 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000398482508 1158120168 /nfs/dbraw/zinc/12/01/68/1158120168.db2.gz XFCDVRIBFHOGHT-MRVPVSSYSA-N 0 0 303.771 0.492 10 0 DCAERN C[C@@H](CCCCO)NC(=O)c1c(Br)nnn1C ZINC000398601584 1158128817 /nfs/dbraw/zinc/12/88/17/1158128817.db2.gz UQODFFQGLRRBRZ-ZETCQYMHSA-N 0 0 305.176 0.859 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1Cc2c[nH]nc2C1 ZINC000382217757 1158130088 /nfs/dbraw/zinc/13/00/88/1158130088.db2.gz KGXSHXMDPDXATO-VIFPVBQESA-N 0 0 301.393 0.172 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1Cc2c[nH]nc2C1 ZINC000382217756 1158130233 /nfs/dbraw/zinc/13/02/33/1158130233.db2.gz KGXSHXMDPDXATO-SECBINFHSA-N 0 0 301.393 0.172 10 0 DCAERN O=C(NC[C@@H](O)CO)c1cnc(Cl)c(Br)c1 ZINC000309458031 1158198816 /nfs/dbraw/zinc/19/88/16/1158198816.db2.gz SZCFPTZHKLSFEC-ZCFIWIBFSA-N 0 0 309.547 0.581 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C/C(Cl)=C\Cl ZINC000588551557 1158273672 /nfs/dbraw/zinc/27/36/72/1158273672.db2.gz OXTHABOGBRMYKN-RXLGXGPVSA-N 0 0 302.179 0.577 10 0 DCAERN CCCNS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC000062435360 1172984133 /nfs/dbraw/zinc/98/41/33/1172984133.db2.gz ZYRDFKGHTDGCAR-LBPRGKRZSA-N 0 0 321.443 0.094 10 0 DCAERN O=C(CNC(=O)NCc1ccnc(OCC2CC2)c1)NC1CC1 ZINC000067482027 1173774970 /nfs/dbraw/zinc/77/49/70/1173774970.db2.gz GMLQHUHNBDKWOM-UHFFFAOYSA-N 0 0 318.377 0.948 10 0 DCAERN C=CCCO[C@H](C)C(=O)NC(C(=O)OCC)C(=O)OCC ZINC000069333647 1173802631 /nfs/dbraw/zinc/80/26/31/1173802631.db2.gz ALGVRDILABCKRN-SNVBAGLBSA-N 0 0 301.339 0.579 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2)CC1 ZINC000074888016 1173926939 /nfs/dbraw/zinc/92/69/39/1173926939.db2.gz YCRPHZVPBZSUCN-UHFFFAOYSA-N 0 0 303.362 0.544 10 0 DCAERN O=C(NCCc1ccc2c(c1)OCCCO2)[C@H]1CCC(=O)N1 ZINC000075015115 1173928183 /nfs/dbraw/zinc/92/81/83/1173928183.db2.gz DLEIHVCCHYDROQ-GFCCVEGCSA-N 0 0 304.346 0.785 10 0 DCAERN Cc1csc(CNCCS(=O)(=O)N2CCOCC2)n1 ZINC000117385305 1176570515 /nfs/dbraw/zinc/57/05/15/1176570515.db2.gz LJCFCZNFKSYXAB-UHFFFAOYSA-N 0 0 305.425 0.203 10 0 DCAERN Cc1noc(CCNC(=O)Cn2c3ccccc3oc2=O)n1 ZINC000119691458 1176840530 /nfs/dbraw/zinc/84/05/30/1176840530.db2.gz OIKNFROVXCPUSP-UHFFFAOYSA-N 0 0 302.290 0.645 10 0 DCAERN CCOc1n[nH]c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000228770811 1180398806 /nfs/dbraw/zinc/39/88/06/1180398806.db2.gz XMYRRYUSKASMGK-KRTXAFLBSA-N 0 0 311.367 0.596 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCCCC[C@@H]1CO ZINC000156664663 1180558016 /nfs/dbraw/zinc/55/80/16/1180558016.db2.gz VUPOQQYDVSLRNN-SNVBAGLBSA-N 0 0 315.395 0.050 10 0 DCAERN COC(=O)c1cnc(NCC(C)(C)NS(C)(=O)=O)cn1 ZINC000234556092 1180563979 /nfs/dbraw/zinc/56/39/79/1180563979.db2.gz FICMATYPPRRGKZ-UHFFFAOYSA-N 0 0 302.356 0.003 10 0 DCAERN O=C(Cn1cncn1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 ZINC000238821870 1182424266 /nfs/dbraw/zinc/42/42/66/1182424266.db2.gz CVKLCNADLFCENA-HAQNSBGRSA-N 0 0 302.338 0.575 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)[C@@H](C)C1 ZINC000275044791 1187201500 /nfs/dbraw/zinc/20/15/00/1187201500.db2.gz NDXKYBLNECHRET-VIFPVBQESA-N 0 0 315.333 0.423 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccnc(Cl)c1 ZINC000187232508 1187467271 /nfs/dbraw/zinc/46/72/71/1187467271.db2.gz ZKFIFMBWJCMDBH-NTYHVHHESA-N 0 0 310.737 0.883 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2cncs2)CC1 ZINC000187498735 1187497096 /nfs/dbraw/zinc/49/70/96/1187497096.db2.gz KNJJCIJNLMPZKU-UHFFFAOYSA-N 0 0 311.407 0.829 10 0 DCAERN CCCN1CCCN(C(=O)Cn2nnc3ccccc32)CC1=O ZINC000189026703 1187862712 /nfs/dbraw/zinc/86/27/12/1187862712.db2.gz VDZMTZMKLJJUSQ-UHFFFAOYSA-N 0 0 315.377 0.902 10 0 DCAERN O=C(CCc1ccncn1)NCCNC(=O)c1ccccc1O ZINC000192326778 1187961564 /nfs/dbraw/zinc/96/15/64/1187961564.db2.gz WNEDDZJILCESHV-UHFFFAOYSA-N 0 0 314.345 0.661 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000588392323 747204909 /nfs/dbraw/zinc/20/49/09/747204909.db2.gz OIWDZVURCFDYBD-LMVHVUTASA-N 0 0 300.314 0.898 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588512424 747382387 /nfs/dbraw/zinc/38/23/87/747382387.db2.gz ZKFIFMBWJCMDBH-LVUHIJSRSA-N 0 0 310.737 0.883 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000588553611 747435236 /nfs/dbraw/zinc/43/52/36/747435236.db2.gz DJQAXWUXNDDYGN-YRGRVCCFSA-N 0 0 306.410 0.917 10 0 DCAERN CCO[C@@H]1C[C@@H]1COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588599952 747523903 /nfs/dbraw/zinc/52/39/03/747523903.db2.gz HPZNIPUBXRDZKZ-GKKDLHFNSA-N 0 0 308.334 0.065 10 0 DCAERN CC[C@@](C)(NS(=O)(=O)c1cnc(Cl)c(F)c1)C(N)=O ZINC000311442801 747898943 /nfs/dbraw/zinc/89/89/43/747898943.db2.gz GZYAMFIYYPKZJP-SNVBAGLBSA-N 0 0 309.750 0.806 10 0 DCAERN O=C(NCCNC(=S)NC[C@H]1CCCO1)c1cccnc1 ZINC000586399876 768114369 /nfs/dbraw/zinc/11/43/69/768114369.db2.gz LVLKJGAITPWZPW-GFCCVEGCSA-N 0 0 308.407 0.455 10 0 DCAERN O=C(N[C@@H]1COC[C@@H]1O)c1cnc(Cl)c(Br)c1 ZINC000323625771 776112128 /nfs/dbraw/zinc/11/21/28/776112128.db2.gz WLPAVOYTGVIQOV-SFYZADRCSA-N 0 0 321.558 0.987 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)n(C)c1 ZINC000181216833 199267261 /nfs/dbraw/zinc/26/72/61/199267261.db2.gz CQZRMHNJCWBYIQ-JTQLQIEISA-N 0 0 315.395 0.184 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000407951002 282154616 /nfs/dbraw/zinc/15/46/16/282154616.db2.gz MTLBVJALDSHALU-SECBINFHSA-N 0 0 304.334 0.267 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000092843541 185345648 /nfs/dbraw/zinc/34/56/48/185345648.db2.gz CXPJJQIUFRTOCE-NSHDSACASA-N 0 0 305.444 0.305 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1ccncc1 ZINC000181459306 199299821 /nfs/dbraw/zinc/29/98/21/199299821.db2.gz SKKWXNNOUZCSCT-ZDUSSCGKSA-N 0 0 318.421 0.681 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCC1=O ZINC000275202471 290692185 /nfs/dbraw/zinc/69/21/85/290692185.db2.gz DOVZJBYBFVCBIX-SDDRHHMPSA-N 0 0 306.362 0.599 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000286641623 219099216 /nfs/dbraw/zinc/09/92/16/219099216.db2.gz DULREUMYMYPWJC-XJKSGUPXSA-N 0 0 304.346 0.610 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000158510426 529902367 /nfs/dbraw/zinc/90/23/67/529902367.db2.gz HZCNDCVZSMKRMQ-LBPRGKRZSA-N 0 0 324.425 0.555 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)C)C(C)C ZINC000179083430 529895856 /nfs/dbraw/zinc/89/58/56/529895856.db2.gz ITUHTBJRXRCTKE-ZDUSSCGKSA-N 0 0 320.393 0.578 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000179077522 529918718 /nfs/dbraw/zinc/91/87/18/529918718.db2.gz XYRQWEXTCLBMNN-LLVKDONJSA-N 0 0 309.370 0.289 10 0 DCAERN CN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)[C@@H]1CCOC1 ZINC000106839932 185454907 /nfs/dbraw/zinc/45/49/07/185454907.db2.gz DYRSUZYUSVYVNK-CYBMUJFWSA-N 0 0 324.402 0.870 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NCCCc1cccc(F)c1 ZINC000187517570 530016398 /nfs/dbraw/zinc/01/63/98/530016398.db2.gz ZSKXWEUPCLGFNL-UHFFFAOYSA-N 0 0 317.386 0.607 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000188978974 530017570 /nfs/dbraw/zinc/01/75/70/530017570.db2.gz ARGYJACZSOPXLT-UHFFFAOYSA-N 0 0 313.354 0.894 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cnc3sccn3c2=O)C1 ZINC000108459620 185514383 /nfs/dbraw/zinc/51/43/83/185514383.db2.gz USYJUEVTYPEYOL-MRVPVSSYSA-N 0 0 307.331 0.391 10 0 DCAERN C/C=C\C(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(CC)C(=O)OC ZINC000229813212 201851958 /nfs/dbraw/zinc/85/19/58/201851958.db2.gz MNVSEJPHYNYSNV-ADBJYHDISA-N 0 0 314.407 0.922 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000234578268 201904478 /nfs/dbraw/zinc/90/44/78/201904478.db2.gz RVTQAIGDIVEXEC-KKOKHZNYSA-N 0 0 305.396 0.409 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC000234617661 201905762 /nfs/dbraw/zinc/90/57/62/201905762.db2.gz HRLFYWKUBWNXNN-BWZBUEFSSA-N 0 0 319.301 0.171 10 0 DCAERN O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CCN1 ZINC000181856333 199363607 /nfs/dbraw/zinc/36/36/07/199363607.db2.gz MNJLGGBHAKAKMJ-UHFFFAOYSA-N 0 0 309.269 0.221 10 0 DCAERN Cc1nccn1CCNC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000287016415 219271736 /nfs/dbraw/zinc/27/17/36/219271736.db2.gz LFHJUJCDXBDWKM-OAHLLOKOSA-N 0 0 308.382 0.783 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176094405 295798720 /nfs/dbraw/zinc/79/87/20/295798720.db2.gz LIHOUBQOVPHPCC-LDYMZIIASA-N 0 0 319.287 0.302 10 0 DCAERN CC[C@@H](NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1)C(=O)OC ZINC000084275398 192420332 /nfs/dbraw/zinc/42/03/32/192420332.db2.gz CAMGFHCSUIGKSK-ZYHUDNBSSA-N 0 0 317.349 0.969 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)CCC1=O ZINC000150731722 186060500 /nfs/dbraw/zinc/06/05/00/186060500.db2.gz LNQSEKQAHKVBJN-QWRGUYRKSA-N 0 0 308.407 0.849 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000171487036 186167136 /nfs/dbraw/zinc/16/71/36/186167136.db2.gz FPUKWJIHMAVRLZ-ZJUUUORDSA-N 0 0 309.391 0.603 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1C ZINC000265986116 186348879 /nfs/dbraw/zinc/34/88/79/186348879.db2.gz CFHBAUVNZTWBSM-UHFFFAOYSA-N 0 0 318.333 0.484 10 0 DCAERN COC(=O)C1(NS(=O)(=O)[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC000408193612 290911847 /nfs/dbraw/zinc/91/18/47/290911847.db2.gz SYYLLQXLPKXNAT-QWRGUYRKSA-N 0 0 305.396 0.959 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCN(C(C)C)C(=O)C3)c2n1 ZINC000272599646 186425290 /nfs/dbraw/zinc/42/52/90/186425290.db2.gz ONKCSLPWVXRFBP-UHFFFAOYSA-N 0 0 301.350 0.731 10 0 DCAERN CC1(CNC(=O)CCN2C(=O)c3ccccc3C2=O)COC1 ZINC000172000354 198023111 /nfs/dbraw/zinc/02/31/11/198023111.db2.gz ONFHOYWJRHLIRN-UHFFFAOYSA-N 0 0 302.330 0.825 10 0 DCAERN Cc1nc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)sc1C ZINC000172048799 198031546 /nfs/dbraw/zinc/03/15/46/198031546.db2.gz FPERJJXZENVXQA-SECBINFHSA-N 0 0 318.424 0.915 10 0 DCAERN CN1CC[C@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1=O ZINC000172410636 198092906 /nfs/dbraw/zinc/09/29/06/198092906.db2.gz SWCFYZNIIYLDCH-VIFPVBQESA-N 0 0 317.267 0.983 10 0 DCAERN COCCn1cc(NC(=O)CNC(=O)c2ccccn2)cn1 ZINC000172517606 198108796 /nfs/dbraw/zinc/10/87/96/198108796.db2.gz ZGIWWIZJXYQCIL-UHFFFAOYSA-N 0 0 303.322 0.293 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000172533939 198110960 /nfs/dbraw/zinc/11/09/60/198110960.db2.gz JKGGBVGDRRVMIS-LLVKDONJSA-N 0 0 318.333 0.999 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@H](CO)Cc2ccccc2)CCC1=O ZINC000172618136 198125388 /nfs/dbraw/zinc/12/53/88/198125388.db2.gz UOJQXDXGZCPAQS-KBPBESRZSA-N 0 0 305.378 0.510 10 0 DCAERN CCOC(=O)c1cc2c(=O)[nH]c(=O)n(CCOC)c2nc1C ZINC000072452059 191171744 /nfs/dbraw/zinc/17/17/44/191171744.db2.gz LTVGSOUVQIJYCV-UHFFFAOYSA-N 0 0 307.306 0.216 10 0 DCAERN COC(=O)c1c(C)nn2c1ncc1c2ccn(CCCO)c1=O ZINC000072465457 191174489 /nfs/dbraw/zinc/17/44/89/191174489.db2.gz HWJBVGVGSDDNSR-UHFFFAOYSA-N 0 0 316.317 0.522 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCCc2c(O)cccc21 ZINC000190773996 295845803 /nfs/dbraw/zinc/84/58/03/295845803.db2.gz AUDXZOKGPXAJKO-RYUDHWBXSA-N 0 0 302.330 0.734 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000173138868 198188280 /nfs/dbraw/zinc/18/82/80/198188280.db2.gz IVPWHKQGKRZXRV-STQMWFEESA-N 0 0 317.432 0.754 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000173391444 198210420 /nfs/dbraw/zinc/21/04/20/198210420.db2.gz RFAXQIFRCHEFLQ-QMTHXVAHSA-N 0 0 306.410 0.953 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCC([C@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727151 198245383 /nfs/dbraw/zinc/24/53/83/198245383.db2.gz BZRZQHBOECUEOK-JSGCOSHPSA-N 0 0 306.410 0.927 10 0 DCAERN Cc1cc(N2CC[C@@H](Sc3nc(N)cc(N)n3)C2=O)n(C)n1 ZINC000174081978 198288846 /nfs/dbraw/zinc/28/88/46/198288846.db2.gz CMDPZTWEBOECOS-MRVPVSSYSA-N 0 0 319.394 0.581 10 0 DCAERN Cc1ccc(N2C(=O)C[C@@H](Sc3nnnn3C)C2=O)cc1 ZINC000002439783 180923918 /nfs/dbraw/zinc/92/39/18/180923918.db2.gz YDWSYEOBQAXQHW-SNVBAGLBSA-N 0 0 303.347 0.943 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCNc1cccc(F)c1 ZINC000182132769 199391169 /nfs/dbraw/zinc/39/11/69/199391169.db2.gz GDTHEQAOUSRSME-NSHDSACASA-N 0 0 308.313 0.342 10 0 DCAERN Cn1ccnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c1=O ZINC000174731876 198377563 /nfs/dbraw/zinc/37/75/63/198377563.db2.gz FFVINFWXHBXYFC-OAHLLOKOSA-N 0 0 314.389 0.636 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1cc2c(cn1)nc[nH]c2=O ZINC000188491066 295876670 /nfs/dbraw/zinc/87/66/70/295876670.db2.gz ZHMSILLMMRCQTN-VIFPVBQESA-N 0 0 311.305 0.175 10 0 DCAERN CN1CCO[C@H](C(=O)NC[C@H]2COC3(CCCCCC3)O2)C1 ZINC000245558341 283020761 /nfs/dbraw/zinc/02/07/61/283020761.db2.gz GURRZYSFOYWRII-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN CCNC(=O)N1CCN(CC(=O)N[C@H](C(C)=O)C(C)C)CC1 ZINC000073645908 191336716 /nfs/dbraw/zinc/33/67/16/191336716.db2.gz JVTGDYUSDDTUBE-AWEZNQCLSA-N 0 0 312.414 0.063 10 0 DCAERN CC(C)OCCN1CCN(C(=O)NCc2ccnn2C)CC1 ZINC000074853478 191372583 /nfs/dbraw/zinc/37/25/83/191372583.db2.gz ZIIPDZVNZKSXGL-UHFFFAOYSA-N 0 0 309.414 0.672 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)NCc1ccc(CO)c(F)c1 ZINC000177316216 198702966 /nfs/dbraw/zinc/70/29/66/198702966.db2.gz QBWCZQYLCNFANS-UHFFFAOYSA-N 0 0 320.320 0.810 10 0 DCAERN COCCOCCOCCOCCOCCOCCOC ZINC000005701172 181274339 /nfs/dbraw/zinc/27/43/39/181274339.db2.gz VMCIKMLQXFLKAX-UHFFFAOYSA-N 0 0 310.387 0.362 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@H](O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000005759636 181281388 /nfs/dbraw/zinc/28/13/88/181281388.db2.gz FRMXVEDKXFUWRZ-HZSPNIEDSA-N 0 0 324.377 0.238 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)o1 ZINC000081501653 192274751 /nfs/dbraw/zinc/27/47/51/192274751.db2.gz AXVBQDJNRTVNKL-LLVKDONJSA-N 0 0 321.255 0.587 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000177787430 198777581 /nfs/dbraw/zinc/77/75/81/198777581.db2.gz OTIDDKVFFZWQDG-WDEREUQCSA-N 0 0 317.349 0.339 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H](O)C2CCCCC2)cn1 ZINC000179460186 199039268 /nfs/dbraw/zinc/03/92/68/199039268.db2.gz KXENJCLTENDILN-ZDUSSCGKSA-N 0 0 323.397 0.692 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)C[C@H]1N1CCOCC1 ZINC000180259377 199138315 /nfs/dbraw/zinc/13/83/15/199138315.db2.gz WBNBBCLFAYMXIM-WCQYABFASA-N 0 0 323.418 0.866 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1=O ZINC000180407183 199155563 /nfs/dbraw/zinc/15/55/63/199155563.db2.gz JNWAPCHUUGUHBP-OLZOCXBDSA-N 0 0 322.409 0.970 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)n1 ZINC000105221676 545732486 /nfs/dbraw/zinc/73/24/86/545732486.db2.gz GETDOWFQARKTBF-WDEREUQCSA-N 0 0 311.386 0.329 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)CNC(=O)c1cccnc1 ZINC000180794810 199210626 /nfs/dbraw/zinc/21/06/26/199210626.db2.gz FMXFMHZIFPXPHC-UHFFFAOYSA-N 0 0 306.366 0.316 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1C ZINC000180969290 199235269 /nfs/dbraw/zinc/23/52/69/199235269.db2.gz SQFWNDICPVJSTJ-LBPRGKRZSA-N 0 0 324.410 0.421 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@@H](C)[C@@H]3C)nc2n1 ZINC000166067620 237118006 /nfs/dbraw/zinc/11/80/06/237118006.db2.gz OZSFWHIFUCCSEX-RYUDHWBXSA-N 0 0 303.366 0.919 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000089752877 192858632 /nfs/dbraw/zinc/85/86/32/192858632.db2.gz FWIKSIKKQKMHCB-JTQLQIEISA-N 0 0 310.737 0.813 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)CC(C)(C)C)C[C@H](C)O1 ZINC000178774939 237239284 /nfs/dbraw/zinc/23/92/84/237239284.db2.gz IFLNSVNTEKYVKY-GRYCIOLGSA-N 0 0 308.444 0.727 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)c2cn3ccnc3s2)CCO1 ZINC000188520803 200260412 /nfs/dbraw/zinc/26/04/12/200260412.db2.gz VNXYXJCVRPEBDI-SNVBAGLBSA-N 0 0 308.363 0.373 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1(C)C ZINC000153722801 291207963 /nfs/dbraw/zinc/20/79/63/291207963.db2.gz IEWYEZLYYDTCLB-GRYCIOLGSA-N 0 0 316.423 0.388 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1CCO ZINC000188730511 200296222 /nfs/dbraw/zinc/29/62/22/200296222.db2.gz QXZXQOQLFQRUIY-NSHDSACASA-N 0 0 302.371 0.513 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000153917050 291209389 /nfs/dbraw/zinc/20/93/89/291209389.db2.gz POTRNSPCPFOJSX-CYBMUJFWSA-N 0 0 319.405 0.589 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1n[nH]c2c1cccc2Cl ZINC000154387876 291213146 /nfs/dbraw/zinc/21/31/46/291213146.db2.gz ZWLYKJGZBCYZIL-UHFFFAOYSA-N 0 0 307.697 0.707 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2C)C1 ZINC000154849556 291216250 /nfs/dbraw/zinc/21/62/50/291216250.db2.gz UZIQVPWELNOLAP-CYBMUJFWSA-N 0 0 318.377 0.764 10 0 DCAERN COCC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000156736386 291225702 /nfs/dbraw/zinc/22/57/02/291225702.db2.gz MIOHFQBEMHVIKP-STQMWFEESA-N 0 0 314.430 0.298 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000134272604 291231486 /nfs/dbraw/zinc/23/14/86/291231486.db2.gz XYBSJAJPNYZRHD-GMSGAONNSA-N 0 0 318.782 0.895 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246694386 238160285 /nfs/dbraw/zinc/16/02/85/238160285.db2.gz ZTAVCLVCLPIMAN-ITGHMWBKSA-N 0 0 311.426 0.454 10 0 DCAERN O=C([O-])[C@@H]1CC2(CN1C(=O)CCCc1cn[nH]c1)CC[NH2+]CC2 ZINC000072150735 304099324 /nfs/dbraw/zinc/09/93/24/304099324.db2.gz ZGNLIIXGMGNJAR-ZDUSSCGKSA-N 0 0 320.393 0.788 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(=O)NC(C)C)cc1F ZINC000162925289 291245192 /nfs/dbraw/zinc/24/51/92/291245192.db2.gz AZBXFEIPHQDHNY-UHFFFAOYSA-N 0 0 309.341 0.967 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000163052435 291245856 /nfs/dbraw/zinc/24/58/56/291245856.db2.gz KNRAGZIHNDFWOD-NWDGAFQWSA-N 0 0 308.382 0.851 10 0 DCAERN O=C1CN(c2ncc(I)cn2)CCN1 ZINC000165170555 291248069 /nfs/dbraw/zinc/24/80/69/291248069.db2.gz FJHXMKXEZRNQDE-UHFFFAOYSA-N 0 0 304.091 0.017 10 0 DCAERN Cc1ccc(F)cc1C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000276564004 238325729 /nfs/dbraw/zinc/32/57/29/238325729.db2.gz SSNUSAGSDUNBEL-ZDUSSCGKSA-N 0 0 323.368 0.392 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)cn1 ZINC000265452922 291249847 /nfs/dbraw/zinc/24/98/47/291249847.db2.gz AKTOVEPUGWBHNB-NXEZZACHSA-N 0 0 321.424 0.099 10 0 DCAERN CO[C@H]1COCC[C@@H]1CC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000566458749 291303647 /nfs/dbraw/zinc/30/36/47/291303647.db2.gz ZHZDAJQHLRHJHJ-YPMHNXCESA-N 0 0 324.381 0.589 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cncc3ncnn32)CC1)C1CC1 ZINC000275494984 212371613 /nfs/dbraw/zinc/37/16/13/212371613.db2.gz AUHUKEBATFHQSX-LLVKDONJSA-N 0 0 300.366 0.819 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2ccncc2)s1 ZINC000211828153 201442593 /nfs/dbraw/zinc/44/25/93/201442593.db2.gz NBHSGKIMUMSQAY-UHFFFAOYSA-N 0 0 304.374 0.623 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)ccc2o1 ZINC000091221270 193021680 /nfs/dbraw/zinc/02/16/80/193021680.db2.gz QKIRUKIYANLFTQ-VIFPVBQESA-N 0 0 316.317 0.409 10 0 DCAERN Cn1cnnc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091619842 193079959 /nfs/dbraw/zinc/07/99/59/193079959.db2.gz JIINVRMGUJNQBU-UHFFFAOYSA-N 0 0 321.425 0.402 10 0 DCAERN COCCN1CCN(C[C@H](O)COCc2ccccc2)CC1=O ZINC000091813386 193111635 /nfs/dbraw/zinc/11/16/35/193111635.db2.gz FHRYULKXSBFZFE-INIZCTEOSA-N 0 0 322.405 0.355 10 0 DCAERN O=C(NCCc1nnc[nH]1)c1ccnc(NC(=O)C2CC2)c1 ZINC000567415694 291354411 /nfs/dbraw/zinc/35/44/11/291354411.db2.gz MCZXXZQPOXVFEB-UHFFFAOYSA-N 0 0 300.322 0.521 10 0 DCAERN CCCc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)[nH]n1 ZINC000091966207 193133735 /nfs/dbraw/zinc/13/37/35/193133735.db2.gz COHUXVRRPCEVSM-AWEZNQCLSA-N 0 0 320.393 0.826 10 0 DCAERN COC(=O)[C@@H]1CCCN(Cc2cnc(N)s2)[C@@H]1C(=O)OC ZINC000261754425 291362083 /nfs/dbraw/zinc/36/20/83/291362083.db2.gz KJIDXNBZXOGOGK-ZJUUUORDSA-N 0 0 313.379 0.652 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000300177927 291383135 /nfs/dbraw/zinc/38/31/35/291383135.db2.gz YAANGDJHDNYFJW-YFKTTZPYSA-N 0 0 305.396 0.767 10 0 DCAERN Cc1ccc(NC(=O)CN2CCOC[C@H]2C(N)=O)cc1Cl ZINC000092230045 193177320 /nfs/dbraw/zinc/17/73/20/193177320.db2.gz MAHPAZBOJHWPKR-LBPRGKRZSA-N 0 0 311.769 0.773 10 0 DCAERN COC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000368645195 284135392 /nfs/dbraw/zinc/13/53/92/284135392.db2.gz ZUNNNUOCBKKAJP-LBPRGKRZSA-N 0 0 317.301 0.751 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408059974 284204259 /nfs/dbraw/zinc/20/42/59/284204259.db2.gz RJPNINAQSHGJJB-BJJPWKGXSA-N 0 0 310.394 0.506 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000286842717 284209173 /nfs/dbraw/zinc/20/91/73/284209173.db2.gz SSXAOPXOBQRCPM-DYNIEEOBSA-N 0 0 318.377 0.710 10 0 DCAERN O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CC(O)(C2CC2)C1 ZINC000408322579 296164106 /nfs/dbraw/zinc/16/41/06/296164106.db2.gz UDQZVKAYDSWDRK-UHFFFAOYSA-N 0 0 303.362 0.848 10 0 DCAERN Cc1nc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cs1 ZINC000265669220 204785253 /nfs/dbraw/zinc/78/52/53/204785253.db2.gz GBJHRKNZGGQANM-VIFPVBQESA-N 0 0 317.436 0.823 10 0 DCAERN Cc1cc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)ccc1C(N)=O ZINC000282714687 217197961 /nfs/dbraw/zinc/19/79/61/217197961.db2.gz KZQDTHKWZXIYJL-JTQLQIEISA-N 0 0 304.350 0.788 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000266116252 205110032 /nfs/dbraw/zinc/11/00/32/205110032.db2.gz NUPKVIZKNBLMJL-UPJWGTAASA-N 0 0 316.357 0.908 10 0 DCAERN Cc1cc(O)ccc1N1C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)[O-])C1=O ZINC000016900383 182063186 /nfs/dbraw/zinc/06/31/86/182063186.db2.gz DXXOAHHVUPJTLH-GXSJLCMTSA-N 0 0 324.358 0.478 10 0 DCAERN COC(=O)C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)C(F)(F)F ZINC000017055937 182073376 /nfs/dbraw/zinc/07/33/76/182073376.db2.gz UCBSJWIDZJVZOH-CIUDSAMLSA-N 0 0 322.283 0.750 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@H](O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000017125733 182076214 /nfs/dbraw/zinc/07/62/14/182076214.db2.gz FRMXVEDKXFUWRZ-MELADBBJSA-N 0 0 324.377 0.238 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=S)cc1)N1CCN(C)CC1 ZINC000020000662 182176252 /nfs/dbraw/zinc/17/62/52/182176252.db2.gz PXSVVOHPLGJTIQ-LLVKDONJSA-N 0 0 306.435 0.895 10 0 DCAERN Cn1c(NC[C@@H](O)c2ccccc2)nc2[nH]c(=O)n(C)c(=O)c21 ZINC000020427927 182216301 /nfs/dbraw/zinc/21/63/01/182216301.db2.gz MJRHMYCFONZZFZ-SNVBAGLBSA-N 0 0 315.333 0.106 10 0 DCAERN Nc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000020563207 182232475 /nfs/dbraw/zinc/23/24/75/182232475.db2.gz OVXHFMKYVGMQHS-MRVPVSSYSA-N 0 0 324.811 0.388 10 0 DCAERN C[C@H]1Cc2cc(C(=O)NC3(CO)CC3)ccc2N1S(C)(=O)=O ZINC000573511962 291637185 /nfs/dbraw/zinc/63/71/85/291637185.db2.gz YWXOSJWPRVQAPO-JTQLQIEISA-N 0 0 324.402 0.652 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@]2(CCOC2)C1 ZINC000188528016 284622210 /nfs/dbraw/zinc/62/22/10/284622210.db2.gz YNKAJMHDKPGCOE-HNNXBMFYSA-N 0 0 300.318 0.571 10 0 DCAERN O=C(c1cccc2c1OCO2)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000367650126 296257037 /nfs/dbraw/zinc/25/70/37/296257037.db2.gz CFRTZSPXKLKPLH-SNVBAGLBSA-N 0 0 302.290 0.747 10 0 DCAERN CCN(CC)C(=O)Cc1nn(CC(N)=O)c(=O)c2ccccc21 ZINC000040384695 183059259 /nfs/dbraw/zinc/05/92/59/183059259.db2.gz FCJXMOQCKRJIAQ-UHFFFAOYSA-N 0 0 316.361 0.293 10 0 DCAERN CC(=O)c1cccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)c1 ZINC000574338023 291689199 /nfs/dbraw/zinc/68/91/99/291689199.db2.gz NYUMRJRAZFVPJF-HNNXBMFYSA-N 0 0 301.346 0.843 10 0 DCAERN Cc1ccc(NCCCNC(=O)NC[C@@H]2CN(C)CCO2)nc1 ZINC000104797626 194041012 /nfs/dbraw/zinc/04/10/12/194041012.db2.gz VMHNEUZNBLXGSL-CQSZACIVSA-N 0 0 321.425 0.822 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000104799651 194041522 /nfs/dbraw/zinc/04/15/22/194041522.db2.gz JQOQVRYPQSZPND-INIZCTEOSA-N 0 0 318.421 0.849 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)c1 ZINC000105858214 194147813 /nfs/dbraw/zinc/14/78/13/194147813.db2.gz GUPXEXDVDUEOQF-GFCCVEGCSA-N 0 0 319.365 0.249 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855904 194148002 /nfs/dbraw/zinc/14/80/02/194148002.db2.gz UVYYVSGTSOFVAL-RYUDHWBXSA-N 0 0 323.422 0.753 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3nnc(C)o3)CC2)n1 ZINC000105868419 194151993 /nfs/dbraw/zinc/15/19/93/194151993.db2.gz RIIJRJHHZVPXIH-UHFFFAOYSA-N 0 0 304.354 0.889 10 0 DCAERN CCc1nccn1[C@H]1CCCN(Cc2nc(N)nc(N)n2)C1 ZINC000105896765 194161949 /nfs/dbraw/zinc/16/19/49/194161949.db2.gz ZJOKIQBYLTUQEO-JTQLQIEISA-N 0 0 302.386 0.632 10 0 DCAERN C[C@H](C(=O)N(C)C)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105911772 194167769 /nfs/dbraw/zinc/16/77/69/194167769.db2.gz KJSFVWFULJZJLF-GDBMZVCRSA-N 0 0 305.422 0.814 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000106228079 194190561 /nfs/dbraw/zinc/19/05/61/194190561.db2.gz KCFGAATZEKVHLG-ZWNOBZJWSA-N 0 0 324.402 0.909 10 0 DCAERN Cn1nccc1CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000106356301 194200071 /nfs/dbraw/zinc/20/00/71/194200071.db2.gz FQGWBEXIHQJUOQ-NSHDSACASA-N 0 0 310.423 0.984 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110453188 194331056 /nfs/dbraw/zinc/33/10/56/194331056.db2.gz SRURTJYGIISJEF-STQMWFEESA-N 0 0 301.346 0.848 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000408367791 296316283 /nfs/dbraw/zinc/31/62/83/296316283.db2.gz XUZPLENUASOOAL-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN NC(=O)NC(=O)COc1ccc(CO)cc1Br ZINC000062703379 184248321 /nfs/dbraw/zinc/24/83/21/184248321.db2.gz ZHEBNCXYKOPRQC-UHFFFAOYSA-N 0 0 303.112 0.515 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CCc2cc(N)ccc21 ZINC000063141983 184273373 /nfs/dbraw/zinc/27/33/73/184273373.db2.gz JQVMRRZPIUJNHU-UHFFFAOYSA-N 0 0 304.393 0.006 10 0 DCAERN NS(=O)(=O)c1ccc(Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000065381701 184332219 /nfs/dbraw/zinc/33/22/19/184332219.db2.gz ZAPMPHZFIDPCKX-UHFFFAOYSA-N 0 0 303.343 0.885 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1C ZINC000178957216 252610535 /nfs/dbraw/zinc/61/05/35/252610535.db2.gz OGIZTTZGOCCYSS-CQSZACIVSA-N 0 0 316.405 0.358 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000163610594 252593609 /nfs/dbraw/zinc/59/36/09/252593609.db2.gz WKNDVMVXZXODPU-WCBMZHEXSA-N 0 0 322.365 0.596 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c(C)s1 ZINC000313649787 252642930 /nfs/dbraw/zinc/64/29/30/252642930.db2.gz QNZVYBDLHAWIFO-GFCCVEGCSA-N 0 0 305.421 0.873 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CC[C@H]3CCOC3)CCO2)n1 ZINC000333048237 252674492 /nfs/dbraw/zinc/67/44/92/252674492.db2.gz PUIKHDBHYNMWIX-GJZGRUSLSA-N 0 0 322.409 0.939 10 0 DCAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CCCO)C2=O ZINC000367102226 296346541 /nfs/dbraw/zinc/34/65/41/296346541.db2.gz VIUHQHPRKXJXPK-IAQYHMDHSA-N 0 0 311.382 0.328 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333182783 252691321 /nfs/dbraw/zinc/69/13/21/252691321.db2.gz QCLIKYXYHLZCSA-YVECIDJPSA-N 0 0 315.439 0.898 10 0 DCAERN CC(C)N1C[C@@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333429222 252721552 /nfs/dbraw/zinc/72/15/52/252721552.db2.gz NGIMPHKECBUEMO-GRYCIOLGSA-N 0 0 304.412 0.483 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000119699625 195020840 /nfs/dbraw/zinc/02/08/40/195020840.db2.gz KTNLZGUONHRJSN-NSHDSACASA-N 0 0 304.412 0.281 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000336812655 252795364 /nfs/dbraw/zinc/79/53/64/252795364.db2.gz RRVNVEVRQCLJRW-VIFPVBQESA-N 0 0 307.803 0.855 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCCC[C@H]2c2nc[nH]n2)CC1=O ZINC000181381554 285062704 /nfs/dbraw/zinc/06/27/04/285062704.db2.gz MOEHOFVFGCKPCJ-NEPJUHHUSA-N 0 0 321.381 0.353 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338914809 253009505 /nfs/dbraw/zinc/00/95/05/253009505.db2.gz UGJBOZYUJPIURU-OKILXGFUSA-N 0 0 318.329 0.454 10 0 DCAERN O=C(NCCN1CCOCC1)c1ncsc1Br ZINC000288751068 220390212 /nfs/dbraw/zinc/39/02/12/220390212.db2.gz WBEILKYHJHGQKG-UHFFFAOYSA-N 0 0 320.212 0.968 10 0 DCAERN O=C1N[C@@H](c2cc(Cl)c3c(c2)OCCO3)N2CCOC[C@@H]12 ZINC000093883566 296387739 /nfs/dbraw/zinc/38/77/39/296387739.db2.gz KNPFIOUPBNYDGW-GXFFZTMASA-N 0 0 310.737 0.940 10 0 DCAERN COCc1ccc(CNC(=O)CN2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346396401 254046194 /nfs/dbraw/zinc/04/61/94/254046194.db2.gz IDMOMAKMBHNDAF-GJZGRUSLSA-N 0 0 310.369 0.854 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](CO)C1)CC2 ZINC000114976662 220441470 /nfs/dbraw/zinc/44/14/70/220441470.db2.gz UZXXBHWUAZRODD-VXGBXAGGSA-N 0 0 307.398 0.569 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2CCCC2)[C@H](C)C1 ZINC000347386927 254153113 /nfs/dbraw/zinc/15/31/13/254153113.db2.gz NDFQESBERZQLHU-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2CCCC2)[C@@H](C)C1 ZINC000347386925 254153143 /nfs/dbraw/zinc/15/31/43/254153143.db2.gz NDFQESBERZQLHU-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(CSC[C@H](O)CO)N1CCC[C@@H](C(F)(F)F)C1 ZINC000177420855 220454226 /nfs/dbraw/zinc/45/42/26/220454226.db2.gz KBOCKPNSWACFDA-RKDXNWHRSA-N 0 0 301.330 0.874 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC1(O)CCC1 ZINC000347837199 254195462 /nfs/dbraw/zinc/19/54/62/254195462.db2.gz AHKCHMMRQHXROH-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000249242901 296395256 /nfs/dbraw/zinc/39/52/56/296395256.db2.gz DEYVGBIVXRDYRT-VXGBXAGGSA-N 0 0 324.468 0.472 10 0 DCAERN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350622286 254320079 /nfs/dbraw/zinc/32/00/79/254320079.db2.gz ZAHRTIJNXDOUHJ-IUCAKERBSA-N 0 0 304.343 0.386 10 0 DCAERN Cc1cc(OCC(=O)NC[C@H](C)S(N)(=O)=O)ccc1Cl ZINC000350628230 254321242 /nfs/dbraw/zinc/32/12/42/254321242.db2.gz IGBASACLXKUYLO-VIFPVBQESA-N 0 0 320.798 0.820 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000350639329 254322263 /nfs/dbraw/zinc/32/22/63/254322263.db2.gz OWTVNRNBZRZJSN-ZDUSSCGKSA-N 0 0 317.345 0.565 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000351870303 254376674 /nfs/dbraw/zinc/37/66/74/254376674.db2.gz LTZNOMQZEDCFTP-UTUOFQBUSA-N 0 0 304.412 0.030 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373727049 296409710 /nfs/dbraw/zinc/40/97/10/296409710.db2.gz KCOJTBDPWDBRKZ-RHYQMDGZSA-N 0 0 301.412 0.301 10 0 DCAERN CN1C(=O)NC2(CCN(c3ccnc(C4CC4)n3)CC2)C1=O ZINC000271580159 209028600 /nfs/dbraw/zinc/02/86/00/209028600.db2.gz BTMVYUBJOFEGGT-UHFFFAOYSA-N 0 0 301.350 0.875 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(N(C)C)n1 ZINC000152268285 196797857 /nfs/dbraw/zinc/79/78/57/196797857.db2.gz SOGJPOJUXIWMPI-GFCCVEGCSA-N 0 0 308.407 0.685 10 0 DCAERN Cn1nccc1C(=O)N1C[C@@H]2CN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000248060229 257111005 /nfs/dbraw/zinc/11/10/05/257111005.db2.gz ULPAFGLQJZINEQ-DGCLKSJQSA-N 0 0 311.345 0.550 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]21 ZINC000247952006 257114241 /nfs/dbraw/zinc/11/42/41/257114241.db2.gz MMDWOQRXJGEFBD-LSDHHAIUSA-N 0 0 307.369 0.457 10 0 DCAERN COCCN1CC[C@@]2(CN(c3ncc(F)cn3)C[C@@H]2C)C1=O ZINC000247817003 257116803 /nfs/dbraw/zinc/11/68/03/257116803.db2.gz BSYMCBAPXPWFSO-NHYWBVRUSA-N 0 0 308.357 0.937 10 0 DCAERN O=C([C@H]1CCCO1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000247787827 257117467 /nfs/dbraw/zinc/11/74/67/257117467.db2.gz ADRYHRCSXUITHW-RRFJBIMHSA-N 0 0 315.373 0.962 10 0 DCAERN Fc1cnc(N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)nc1 ZINC000247645510 257118641 /nfs/dbraw/zinc/11/86/41/257118641.db2.gz KALXJZXZULOKGH-FPMFFAJLSA-N 0 0 308.357 0.542 10 0 DCAERN CS(=O)(=O)NC[C@@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247520194 257119451 /nfs/dbraw/zinc/11/94/51/257119451.db2.gz LGPWRRPVRSYYRR-LBPRGKRZSA-N 0 0 324.406 0.657 10 0 DCAERN CCOCC(=O)N1CC2(C1)C[C@@H](Oc1nccc(C)n1)CCO2 ZINC000253478004 257105255 /nfs/dbraw/zinc/10/52/55/257105255.db2.gz IPWRXAPGTRPLQX-ZDUSSCGKSA-N 0 0 321.377 0.960 10 0 DCAERN CCS(=O)(=O)N1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1 ZINC000253494845 257105421 /nfs/dbraw/zinc/10/54/21/257105421.db2.gz ZARSKEMZHXCRLG-MWLCHTKSSA-N 0 0 300.405 0.992 10 0 DCAERN CC(=O)NCC(=O)N1CCO[C@]2(CCC[C@H]2COC(C)C)C1 ZINC000253493254 257105623 /nfs/dbraw/zinc/10/56/23/257105623.db2.gz SQCVCKDUEQDVRN-GOEBONIOSA-N 0 0 312.410 0.945 10 0 DCAERN CC[NH+]1CCN(c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000031894453 285339903 /nfs/dbraw/zinc/33/99/03/285339903.db2.gz UERFBXFYBPBJIH-UHFFFAOYSA-N 0 0 302.334 0.763 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@]2(C)CCCO2)CC1 ZINC000152412739 533242133 /nfs/dbraw/zinc/24/21/33/533242133.db2.gz JOWAFULBMHKMAX-BLLLJJGKSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H](C1CC1)N(C(=O)CN1CCN(CCO)[C@@H](C)C1)C1CC1 ZINC000187734020 533364489 /nfs/dbraw/zinc/36/44/89/533364489.db2.gz YNRAIJVTLYJXRN-KBPBESRZSA-N 0 0 309.454 0.774 10 0 DCAERN CO[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC000330941684 533451936 /nfs/dbraw/zinc/45/19/36/533451936.db2.gz FTDWAXDUVGTFOL-NWDGAFQWSA-N 0 0 311.382 0.544 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)c2csc(Cl)n2)C1 ZINC000275474057 130324959 /nfs/dbraw/zinc/32/49/59/130324959.db2.gz CXSCZPPHOPIKAC-SSDOTTSWSA-N 0 0 323.827 0.808 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)c1=O ZINC000275537403 130332539 /nfs/dbraw/zinc/33/25/39/130332539.db2.gz FBJVEMYIQLTGFP-NWDGAFQWSA-N 0 0 306.366 0.044 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000275569590 130339341 /nfs/dbraw/zinc/33/93/41/130339341.db2.gz ISUPUWWTSILEOR-RWMBFGLXSA-N 0 0 307.398 0.596 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)Nc2cnns2)CCN1C ZINC000277294946 130599169 /nfs/dbraw/zinc/59/91/69/130599169.db2.gz SVHNVIZQUUGPLI-SECBINFHSA-N 0 0 307.383 0.792 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@]3(O)CCSC3)C2)n(C)n1 ZINC000277848101 130643694 /nfs/dbraw/zinc/64/36/94/130643694.db2.gz CJGPSWUHTWOIRU-IUODEOHRSA-N 0 0 324.450 0.682 10 0 DCAERN C[C@H]1CN(c2nnc(Cc3ccccn3)n2C)CC(=O)N1C ZINC000283205342 130969976 /nfs/dbraw/zinc/96/99/76/130969976.db2.gz PPDWGTAGZWFQCM-NSHDSACASA-N 0 0 300.366 0.468 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CSC3(C)C)C2=O)cn1 ZINC000283673357 131012172 /nfs/dbraw/zinc/01/21/72/131012172.db2.gz SMOARILDIJITCQ-GHMZBOCLSA-N 0 0 323.422 0.719 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@@H]21 ZINC000283936184 131034831 /nfs/dbraw/zinc/03/48/31/131034831.db2.gz JLNQLGJKBJEDKX-LSDHHAIUSA-N 0 0 304.394 0.739 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(c2ncc(Br)cn2)C1 ZINC000284571882 131093150 /nfs/dbraw/zinc/09/31/50/131093150.db2.gz PBFDKKNFEAXAJC-JTQLQIEISA-N 0 0 311.143 0.455 10 0 DCAERN COCCN(C)c1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)cn1 ZINC000284620568 131097846 /nfs/dbraw/zinc/09/78/46/131097846.db2.gz LBIGAIOJCYKVSI-OLZOCXBDSA-N 0 0 310.373 0.562 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2cccc(F)c2F)[C@@H]1C(N)=O ZINC000284652071 131101143 /nfs/dbraw/zinc/10/11/43/131101143.db2.gz GEPGUSRGOBVMRJ-HQJQHLMTSA-N 0 0 320.317 0.228 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3cc(C)[nH]c(=O)c3)CCN2C)n1 ZINC000284689449 131103406 /nfs/dbraw/zinc/10/34/06/131103406.db2.gz PWCVHOBOMMPSPQ-LBPRGKRZSA-N 0 0 317.349 0.916 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3n[nH]c(C)c3C)CCN2C)n1 ZINC000284685346 131103965 /nfs/dbraw/zinc/10/39/65/131103965.db2.gz PLGZCFRNOVDIDP-NSHDSACASA-N 0 0 304.354 0.847 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C[C@H]1C(N)=O ZINC000284819199 131112932 /nfs/dbraw/zinc/11/29/32/131112932.db2.gz BUEDAFJQFCDFBM-WCABBAIRSA-N 0 0 317.345 0.599 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@H]21 ZINC000285381655 131162719 /nfs/dbraw/zinc/16/27/19/131162719.db2.gz XVGXREBZUBMODY-KGLIPLIRSA-N 0 0 318.377 0.722 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000285404133 131165581 /nfs/dbraw/zinc/16/55/81/131165581.db2.gz HCHBGUJGFKOTDF-UVWXRNBGSA-N 0 0 324.327 0.907 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000285554174 131180036 /nfs/dbraw/zinc/18/00/36/131180036.db2.gz VHEZRVROBOYNCA-HUUCEWRRSA-N 0 0 321.425 0.651 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cs1 ZINC000293761493 131767037 /nfs/dbraw/zinc/76/70/37/131767037.db2.gz RJFPXRVEEBFDST-JTQLQIEISA-N 0 0 316.404 0.714 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)c(C)n2n1 ZINC000285448726 292025090 /nfs/dbraw/zinc/02/50/90/292025090.db2.gz PZJGUXRQPAKMHN-MFKMUULPSA-N 0 0 317.349 0.061 10 0 DCAERN CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000013018384 395688320 /nfs/dbraw/zinc/68/83/20/395688320.db2.gz PHWOTSJWWWEKMS-IYKVGLELSA-N 0 0 302.323 0.946 10 0 DCAERN CC(=O)O[C@@H]1C=C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000013415759 395688520 /nfs/dbraw/zinc/68/85/20/395688520.db2.gz REXNPDYWUANMIX-LVEBTZEWSA-N 0 0 314.290 0.283 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000014137926 395689208 /nfs/dbraw/zinc/68/92/08/395689208.db2.gz HQOMQJMVZSRFIY-RKDXNWHRSA-N 0 0 318.381 0.502 10 0 DCAERN C[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)C[C@H](C)O1 ZINC000015255234 395689967 /nfs/dbraw/zinc/68/99/67/395689967.db2.gz VPYWHPHCNVOGHB-KBPBESRZSA-N 0 0 313.442 0.323 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOCC1 ZINC000000052521 395679649 /nfs/dbraw/zinc/67/96/49/395679649.db2.gz ZFLZMLCVLHFBGK-MNOVXSKESA-N 0 0 300.355 0.216 10 0 DCAERN C[C@@H](O)CCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000085984640 395702351 /nfs/dbraw/zinc/70/23/51/395702351.db2.gz KHNJUZMWYRMVFO-SSDOTTSWSA-N 0 0 319.155 0.659 10 0 DCAERN O=C1CN(S(=O)(=O)C[C@H]2CCCO2)Cc2ccccc2N1 ZINC000087887975 395706731 /nfs/dbraw/zinc/70/67/31/395706731.db2.gz HKLVPGAKVXWWRH-GFCCVEGCSA-N 0 0 310.375 0.950 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000088771838 395708002 /nfs/dbraw/zinc/70/80/02/395708002.db2.gz BZHFDXCNRIKAPX-OLZOCXBDSA-N 0 0 312.391 0.872 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)cc1 ZINC000089165460 395709043 /nfs/dbraw/zinc/70/90/43/395709043.db2.gz UPUKMSHDDAQETR-DGCLKSJQSA-N 0 0 313.375 0.913 10 0 DCAERN O=C1c2cccc3c(NCCO)ccc(c23)C(=O)N1n1cnnc1 ZINC000032106473 395709461 /nfs/dbraw/zinc/70/94/61/395709461.db2.gz PCSGHSGIMCBINO-UHFFFAOYSA-N 0 0 323.312 0.768 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000089355676 395710418 /nfs/dbraw/zinc/71/04/18/395710418.db2.gz FHTSKDVZUOGEHY-RYUDHWBXSA-N 0 0 312.753 0.476 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@@H]1O ZINC000089410728 395711021 /nfs/dbraw/zinc/71/10/21/395711021.db2.gz XXIGHCKBVSQCOV-MFKMUULPSA-N 0 0 302.334 0.021 10 0 DCAERN Cc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1O ZINC000089435934 395711779 /nfs/dbraw/zinc/71/17/79/395711779.db2.gz CHEFVAWMNGZIKL-AWEZNQCLSA-N 0 0 308.378 0.052 10 0 DCAERN CC[C@H](C)n1nccc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000089942752 395717343 /nfs/dbraw/zinc/71/73/43/395717343.db2.gz URIPBKVXYRNEIW-LBPRGKRZSA-N 0 0 322.413 0.750 10 0 DCAERN COC(=O)CCCCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000035177085 395719345 /nfs/dbraw/zinc/71/93/45/395719345.db2.gz MWMYVUHZMLFDGM-TXEJJXNPSA-N 0 0 322.427 0.663 10 0 DCAERN COC(=O)CCCCCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000035220888 395719815 /nfs/dbraw/zinc/71/98/15/395719815.db2.gz IFPJMNLWJPYLOS-LLVKDONJSA-N 0 0 320.411 0.260 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000027029199 395694681 /nfs/dbraw/zinc/69/46/81/395694681.db2.gz KXUNRXWJOOKNCD-CQSZACIVSA-N 0 0 316.357 0.897 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CSCN1)c1ccc(S(N)(=O)=O)cc1 ZINC000037015575 395725615 /nfs/dbraw/zinc/72/56/15/395725615.db2.gz XMTLPJGDTRNYET-KCJUWKMLSA-N 0 0 315.420 0.174 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000040446259 395733652 /nfs/dbraw/zinc/73/36/52/395733652.db2.gz AYXFMELJOKXHEO-ZDUSSCGKSA-N 0 0 310.375 0.788 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc[nH]n1 ZINC000040693447 395734697 /nfs/dbraw/zinc/73/46/97/395734697.db2.gz IFDCXTPZXDVNSW-LLVKDONJSA-N 0 0 300.384 0.230 10 0 DCAERN CCN(CC)C(=O)C1CCN(S(=O)(=O)CCOC)CC1 ZINC000041208980 395736037 /nfs/dbraw/zinc/73/60/37/395736037.db2.gz YYRVVPITTRDNRQ-UHFFFAOYSA-N 0 0 306.428 0.543 10 0 DCAERN C[C@H]1CCN(CC2=NS(=O)(=O)c3ccccc3N2)C[C@@H]1O ZINC000093343114 395738141 /nfs/dbraw/zinc/73/81/41/395738141.db2.gz DJPYMSWTXREYIB-JQWIXIFHSA-N 0 0 309.391 0.902 10 0 DCAERN CC[C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938923 395782782 /nfs/dbraw/zinc/78/27/82/395782782.db2.gz BSYWSFIBVGBGDD-IUCAKERBSA-N 0 0 305.425 0.990 10 0 DCAERN COC(=O)[C@@H]1O[C@@H](Sc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106384156 395783154 /nfs/dbraw/zinc/78/31/54/395783154.db2.gz KIEJIDLAINZJJS-LARJDALCSA-N 0 0 314.359 0.068 10 0 DCAERN Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCCCC(=O)N2)nc1 ZINC000193966312 395783312 /nfs/dbraw/zinc/78/33/12/395783312.db2.gz XPQTYWMQYJJXEO-LBPRGKRZSA-N 0 0 318.377 0.894 10 0 DCAERN C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047101445 395787431 /nfs/dbraw/zinc/78/74/31/395787431.db2.gz YATWLARBUOEBMM-STQMWFEESA-N 0 0 305.382 0.876 10 0 DCAERN Cc1cc(C(=O)N(C)[C@H]2CCOC2)cc(S(N)(=O)=O)c1C ZINC000098018128 395761423 /nfs/dbraw/zinc/76/14/23/395761423.db2.gz SMRPBWUFPCZVPF-LBPRGKRZSA-N 0 0 312.391 0.812 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H](C)C(=O)NCc2ccco2)n1 ZINC000101609582 395765645 /nfs/dbraw/zinc/76/56/45/395765645.db2.gz URDSDBPBVSNBPX-SECBINFHSA-N 0 0 321.337 0.518 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NCCc1nc(C)no1 ZINC000101608090 395765705 /nfs/dbraw/zinc/76/57/05/395765705.db2.gz WHHHGVCLDCDBJE-UHFFFAOYSA-N 0 0 311.386 0.868 10 0 DCAERN O=C(NC1CC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000046072153 395770640 /nfs/dbraw/zinc/77/06/40/395770640.db2.gz IDLGHDGBBJEPAE-UHFFFAOYSA-N 0 0 310.379 0.260 10 0 DCAERN CCOC(=O)CCCc1sc(N)nc1C1=C(C)N[C@@H](O)N1 ZINC000103550412 395774550 /nfs/dbraw/zinc/77/45/50/395774550.db2.gz ZMZHVQFOSWLBGI-CYBMUJFWSA-N 0 0 312.395 0.768 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724774 395805673 /nfs/dbraw/zinc/80/56/73/395805673.db2.gz QGYGCYSCWLCAAK-AWEZNQCLSA-N 0 0 318.377 0.277 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1 ZINC000118072537 395858308 /nfs/dbraw/zinc/85/83/08/395858308.db2.gz ADJGKRHGWFYNCP-KGLIPLIRSA-N 0 0 309.414 0.600 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000194725679 395806082 /nfs/dbraw/zinc/80/60/82/395806082.db2.gz ZDCJEVCZLPJLMR-HNNXBMFYSA-N 0 0 317.389 0.874 10 0 DCAERN Cc1ccc(CCC(=O)NCC(=O)NC(C)(C)C(N)=O)cc1 ZINC000194745298 395807008 /nfs/dbraw/zinc/80/70/08/395807008.db2.gz ROXWIPTUMLHRBI-UHFFFAOYSA-N 0 0 305.378 0.424 10 0 DCAERN CN1CCCc2cc(NC(=O)CN3CC(=O)NC3=O)ccc21 ZINC000111620149 395810700 /nfs/dbraw/zinc/81/07/00/395810700.db2.gz UQPHAXHNPHGSKP-UHFFFAOYSA-N 0 0 302.334 0.559 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111650087 395811098 /nfs/dbraw/zinc/81/10/98/395811098.db2.gz HPSLUSLDZWQVJJ-CQSZACIVSA-N 0 0 315.377 0.885 10 0 DCAERN CC(C)n1nnnc1CN1CCC(C)(C)S(=O)(=O)CC1 ZINC000194992764 395812751 /nfs/dbraw/zinc/81/27/51/395812751.db2.gz HULZBFFCQKUZKV-UHFFFAOYSA-N 0 0 301.416 0.653 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111796598 395813260 /nfs/dbraw/zinc/81/32/60/395813260.db2.gz URZMOOSNSJZHIC-AWEZNQCLSA-N 0 0 323.397 0.046 10 0 DCAERN O=C(NCCNC(=O)N1CCO[C@H](c2nccs2)C1)C1CC1 ZINC000111802281 395813600 /nfs/dbraw/zinc/81/36/00/395813600.db2.gz PQBQKFSFLVFDOK-NSHDSACASA-N 0 0 324.406 0.752 10 0 DCAERN Cc1nc(NC(=O)NCc2nc(-c3cccnc3)no2)nn1C ZINC000048435853 395815659 /nfs/dbraw/zinc/81/56/59/395815659.db2.gz XQOZGVJAORGCSW-UHFFFAOYSA-N 0 0 314.309 0.890 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)NCCOC)CC2)cn1 ZINC000112739261 395823246 /nfs/dbraw/zinc/82/32/46/395823246.db2.gz VGRURMJNJVERLB-UHFFFAOYSA-N 0 0 309.414 0.767 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@H]1CO ZINC000048865108 395823873 /nfs/dbraw/zinc/82/38/73/395823873.db2.gz PLGXINQWZRCNSP-JTQLQIEISA-N 0 0 317.363 0.828 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000112911324 395825384 /nfs/dbraw/zinc/82/53/84/395825384.db2.gz ZWMJIMLKJXQELB-FZMZJTMJSA-N 0 0 303.362 0.775 10 0 DCAERN Cc1csc([C@@H]2CN(CC(=O)N3CCOCC3)CCO2)n1 ZINC000195388239 395826159 /nfs/dbraw/zinc/82/61/59/395826159.db2.gz KIHXCCUONBLGSI-LBPRGKRZSA-N 0 0 311.407 0.684 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000113298981 395829221 /nfs/dbraw/zinc/82/92/21/395829221.db2.gz GECAFFPLELONBO-LBPRGKRZSA-N 0 0 310.354 0.852 10 0 DCAERN COc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000115164899 395838326 /nfs/dbraw/zinc/83/83/26/395838326.db2.gz KALOEOBWXRPHPO-ZDUSSCGKSA-N 0 0 306.362 0.994 10 0 DCAERN CN(C(=O)C(=O)NC1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000115378635 395839306 /nfs/dbraw/zinc/83/93/06/395839306.db2.gz WKVZHEGROHFAPR-CYBMUJFWSA-N 0 0 301.346 0.529 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)ccn1)CC2 ZINC000116202711 395842286 /nfs/dbraw/zinc/84/22/86/395842286.db2.gz MGIIFZQIJYDETO-SNVBAGLBSA-N 0 0 301.350 0.989 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116278251 395843041 /nfs/dbraw/zinc/84/30/41/395843041.db2.gz FLMCANQKJWVFJL-HNNXBMFYSA-N 0 0 305.426 0.385 10 0 DCAERN CC(=O)NC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000050990237 395843734 /nfs/dbraw/zinc/84/37/34/395843734.db2.gz KCSMBLFISKCCPG-HOTGVXAUSA-N 0 0 323.437 0.757 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)cn1 ZINC000116466430 395844048 /nfs/dbraw/zinc/84/40/48/395844048.db2.gz IJVWJGJIIKGTMZ-NSHDSACASA-N 0 0 324.340 0.933 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000116830626 395846424 /nfs/dbraw/zinc/84/64/24/395846424.db2.gz NSEHRMXMQWSBJN-NSHDSACASA-N 0 0 316.354 0.355 10 0 DCAERN C[C@@H](C(=O)Nc1ccccc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891770 395848676 /nfs/dbraw/zinc/84/86/76/395848676.db2.gz XCOFYXSKEJDSLY-AAEUAGOBSA-N 0 0 311.407 0.637 10 0 DCAERN C[C@H](C(=O)Nc1ccccc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891773 395849036 /nfs/dbraw/zinc/84/90/36/395849036.db2.gz XCOFYXSKEJDSLY-YPMHNXCESA-N 0 0 311.407 0.637 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCc2cccs2)C1 ZINC000116933346 395849617 /nfs/dbraw/zinc/84/96/17/395849617.db2.gz CRLYSVOZQQOVRT-SNVBAGLBSA-N 0 0 317.436 0.624 10 0 DCAERN Cc1csc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000116929906 395849733 /nfs/dbraw/zinc/84/97/33/395849733.db2.gz MVFMSQIWQTYYPH-MRVPVSSYSA-N 0 0 304.397 0.607 10 0 DCAERN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000116986592 395850740 /nfs/dbraw/zinc/85/07/40/395850740.db2.gz WJNPJVWFVFNADE-TZMCWYRMSA-N 0 0 306.362 0.760 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccnc(OC)c2)C[C@@H]1C ZINC000117474579 395853038 /nfs/dbraw/zinc/85/30/38/395853038.db2.gz KHPMQBYXOQVMHT-ZDUSSCGKSA-N 0 0 322.409 0.952 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000117817983 395854909 /nfs/dbraw/zinc/85/49/09/395854909.db2.gz XFRWVNNGXDJPDJ-UHFFFAOYSA-N 0 0 300.318 0.952 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000117818842 395855370 /nfs/dbraw/zinc/85/53/70/395855370.db2.gz IXNQLDGMYDWIRV-BXUZGUMPSA-N 0 0 308.407 0.762 10 0 DCAERN COC[C@H](C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000117853814 395855598 /nfs/dbraw/zinc/85/55/98/395855598.db2.gz WBCPEKVICUGNCV-JTQLQIEISA-N 0 0 300.380 0.957 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000223801677 395856323 /nfs/dbraw/zinc/85/63/23/395856323.db2.gz SHNNERSQDALATM-LLVKDONJSA-N 0 0 306.366 0.652 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000270651650 395793905 /nfs/dbraw/zinc/79/39/05/395793905.db2.gz QVJDMZCKMHSVTQ-XQQFMLRXSA-N 0 0 305.382 0.922 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000194517718 395798666 /nfs/dbraw/zinc/79/86/66/395798666.db2.gz PYJRVYDQDSSEEZ-SNVBAGLBSA-N 0 0 316.365 0.492 10 0 DCAERN COc1ccccc1OCCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194632802 395802191 /nfs/dbraw/zinc/80/21/91/395802191.db2.gz ONCJXUPZHJMYAO-CYBMUJFWSA-N 0 0 308.378 0.911 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000133428152 395928959 /nfs/dbraw/zinc/92/89/59/395928959.db2.gz AQKUUZCYZQRJBY-GJZGRUSLSA-N 0 0 317.389 0.991 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCOC2)n(C)c1 ZINC000272387993 395888253 /nfs/dbraw/zinc/88/82/53/395888253.db2.gz WJNVVQCZMNOHTC-JTQLQIEISA-N 0 0 315.395 0.136 10 0 DCAERN C[C@H](CCCO)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000122711995 395889028 /nfs/dbraw/zinc/88/90/28/395889028.db2.gz SEKLRELGMBBSMB-UXIGCNINSA-N 0 0 305.378 0.878 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)NCC(=O)NCc1ccco1 ZINC000053954494 395891486 /nfs/dbraw/zinc/89/14/86/395891486.db2.gz ZVSQXZVRRZHJPM-UHFFFAOYSA-N 0 0 318.377 0.995 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)C[C@@H](C)O1 ZINC000123485376 395894475 /nfs/dbraw/zinc/89/44/75/395894475.db2.gz AKFAGZQZVWXLJY-MFKMUULPSA-N 0 0 310.394 0.554 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000124063531 395900128 /nfs/dbraw/zinc/90/01/28/395900128.db2.gz AEPXLDTYSZFQCH-LBPRGKRZSA-N 0 0 312.414 0.555 10 0 DCAERN COC(=O)CCN(C[C@H]1CCCO1)C(=O)CCc1ccnn1C ZINC000124675752 395901340 /nfs/dbraw/zinc/90/13/40/395901340.db2.gz ZMUKBDTXTYIOOJ-CQSZACIVSA-N 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/nfs/dbraw/zinc/92/68/90/395926890.db2.gz PXGANWLXWYWUFU-QFIPXVFZSA-N 0 0 319.386 0.791 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000052291988 395861744 /nfs/dbraw/zinc/86/17/44/395861744.db2.gz JFIJSBLFNHNYEZ-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN C[C@@H](O)CCNC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000118719425 395863663 /nfs/dbraw/zinc/86/36/63/395863663.db2.gz ZKQIRTOZDMVNNL-MNOVXSKESA-N 0 0 304.350 0.212 10 0 DCAERN CN(CCCn1ccnc1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000119082120 395866823 /nfs/dbraw/zinc/86/68/23/395866823.db2.gz AAXIOTNKKKJWCG-UHFFFAOYSA-N 0 0 302.338 0.931 10 0 DCAERN COc1cccc([C@@H]2CN(CCNS(C)(=O)=O)CCO2)c1 ZINC000119112608 395867386 /nfs/dbraw/zinc/86/73/86/395867386.db2.gz CNVVPBXVCUSEAJ-AWEZNQCLSA-N 0 0 314.407 0.618 10 0 DCAERN CC(C)[C@H](CNC(=O)CCc1ccnn1C)N1CCOCC1 ZINC000119320175 395869714 /nfs/dbraw/zinc/86/97/14/395869714.db2.gz MUUYKSXHBPLWAC-HNNXBMFYSA-N 0 0 308.426 0.826 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCSCCCO)C[C@H](C)O1 ZINC000228554874 395871918 /nfs/dbraw/zinc/87/19/18/395871918.db2.gz PWZHYYLAXUEDKS-QWRGUYRKSA-N 0 0 312.457 0.046 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000119562673 395872502 /nfs/dbraw/zinc/87/25/02/395872502.db2.gz SQBNCUCQKWCIKK-GDBMZVCRSA-N 0 0 320.389 0.662 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H]2CCN(c3ccccn3)C2)n1 ZINC000119743668 395875283 /nfs/dbraw/zinc/87/52/83/395875283.db2.gz VDKABMBXWWFZGG-LBPRGKRZSA-N 0 0 316.365 0.894 10 0 DCAERN C[C@@H](CCNS(=O)(=O)c1ccc(N)cc1F)[S@](C)=O ZINC000229778546 395876193 /nfs/dbraw/zinc/87/61/93/395876193.db2.gz IOIMDTGFUXQXJD-ASCAZGACSA-N 0 0 308.400 0.843 10 0 DCAERN CC[C@H]1NC(=O)N([C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272251612 395879693 /nfs/dbraw/zinc/87/96/93/395879693.db2.gz WCEDCZOXHCCESL-ZJUUUORDSA-N 0 0 305.338 0.164 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000134702060 395934295 /nfs/dbraw/zinc/93/42/95/395934295.db2.gz WHMPXOXLXUEHJA-GFCCVEGCSA-N 0 0 302.371 0.825 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)CO ZINC000245779892 395935984 /nfs/dbraw/zinc/93/59/84/395935984.db2.gz ZVOZLXCUSDAENL-JHJVBQTASA-N 0 0 320.455 0.714 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276456173 395998962 /nfs/dbraw/zinc/99/89/62/395998962.db2.gz NUHQUORKTORYEJ-QFYYESIMSA-N 0 0 319.361 0.138 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CCNC(=O)c1ccco1 ZINC000136026079 395943862 /nfs/dbraw/zinc/94/38/62/395943862.db2.gz MICHNVZPGCKFRF-UHFFFAOYSA-N 0 0 309.366 0.773 10 0 DCAERN COCCN(CCCF)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000136375197 395945966 /nfs/dbraw/zinc/94/59/66/395945966.db2.gz OMYLXGNUDDVIPW-UHFFFAOYSA-N 0 0 316.377 0.587 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1csc(Cl)n1 ZINC000274428581 395946861 /nfs/dbraw/zinc/94/68/61/395946861.db2.gz FNHUBFXVJWCFEI-UHFFFAOYSA-N 0 0 306.727 0.585 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000246335582 395947481 /nfs/dbraw/zinc/94/74/81/395947481.db2.gz UZGXFJBWVJIWQY-MGPQQGTHSA-N 0 0 306.387 0.682 10 0 DCAERN O=C(CN1CCS(=O)(=O)CC1)N1CCC(c2ccccc2)=N1 ZINC000057845914 395948955 /nfs/dbraw/zinc/94/89/55/395948955.db2.gz JOXCUQPSFHVMBD-UHFFFAOYSA-N 0 0 321.402 0.353 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000137095602 395950119 /nfs/dbraw/zinc/95/01/19/395950119.db2.gz PRHKXYIMKSLMSX-BDAKNGLRSA-N 0 0 311.288 0.770 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274472942 395951106 /nfs/dbraw/zinc/95/11/06/395951106.db2.gz ZOWKBMPBIIQQCI-CJNGLKHVSA-N 0 0 320.393 0.998 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000246500049 395951658 /nfs/dbraw/zinc/95/16/58/395951658.db2.gz SCNPMLWHCZIPPX-MGPQQGTHSA-N 0 0 318.439 0.843 10 0 DCAERN COC(=O)[C@H]1CN([C@H](C)C(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000246610941 395954200 /nfs/dbraw/zinc/95/42/00/395954200.db2.gz UYLCHXWUDIKCRG-IWSPIJDZSA-N 0 0 312.288 0.316 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](C)C2)cn1 ZINC000274519983 395954876 /nfs/dbraw/zinc/95/48/76/395954876.db2.gz NSWRIPPCABEWSY-VIFPVBQESA-N 0 0 315.420 0.567 10 0 DCAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000248914008 396000312 /nfs/dbraw/zinc/00/03/12/396000312.db2.gz CQYYTFOJHCNSLV-YGRLFVJLSA-N 0 0 308.386 0.072 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000247013994 395963690 /nfs/dbraw/zinc/96/36/90/395963690.db2.gz ZFONWCCVIIBTEK-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCC1=O ZINC000247072980 395965399 /nfs/dbraw/zinc/96/53/99/395965399.db2.gz QHOARHPLLGQQDS-ZENOOKHLSA-N 0 0 309.410 0.944 10 0 DCAERN CCCCCNC(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247100848 395966427 /nfs/dbraw/zinc/96/64/27/395966427.db2.gz MOEHHGAYBMZVMI-VXGBXAGGSA-N 0 0 305.444 0.305 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@H]1CCCO1 ZINC000247306045 395971375 /nfs/dbraw/zinc/97/13/75/395971375.db2.gz JECBCGWVHIMKBA-NWDGAFQWSA-N 0 0 300.399 0.944 10 0 DCAERN CCc1ccccc1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150742635 395971995 /nfs/dbraw/zinc/97/19/95/395971995.db2.gz VPGORTMPQXGHQS-UHFFFAOYSA-N 0 0 317.345 0.664 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCO[C@H]1CCOC1 ZINC000150764622 395972876 /nfs/dbraw/zinc/97/28/76/395972876.db2.gz MAXMQRKOUXTORF-LBPRGKRZSA-N 0 0 319.361 0.641 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2cccnc2-n2cncn2)C1 ZINC000150801256 395973605 /nfs/dbraw/zinc/97/36/05/395973605.db2.gz QWVKSCUHQUXWGD-NSHDSACASA-N 0 0 317.353 0.114 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000247560861 395976740 /nfs/dbraw/zinc/97/67/40/395976740.db2.gz UUQREHSWUVNYQR-RQJABVFESA-N 0 0 312.410 0.753 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@@H](c2cccs2)C1 ZINC000247662722 395977443 /nfs/dbraw/zinc/97/74/43/395977443.db2.gz XRMHFPAPAMKXEK-GHMZBOCLSA-N 0 0 312.391 0.799 10 0 DCAERN COCC(=O)N(C)CC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247915519 395979738 /nfs/dbraw/zinc/97/97/38/395979738.db2.gz AXOVPWJMCQYQRV-CKEIUWERSA-N 0 0 302.374 0.793 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCCCC1=O ZINC000151162814 395980401 /nfs/dbraw/zinc/98/04/01/395980401.db2.gz ZNUTZNXVRNWXHJ-LLVKDONJSA-N 0 0 305.382 0.804 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC[C@@H]1C ZINC000063862950 395983814 /nfs/dbraw/zinc/98/38/14/395983814.db2.gz DRLUKENFKZHRFM-QMMMGPOBSA-N 0 0 304.393 0.565 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151518833 395987373 /nfs/dbraw/zinc/98/73/73/395987373.db2.gz SHHOFPUJNVLITD-ZDUSSCGKSA-N 0 0 321.425 0.812 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000248416092 395987439 /nfs/dbraw/zinc/98/74/39/395987439.db2.gz INOCFXSWUMUPBQ-CABCVRRESA-N 0 0 308.378 0.011 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000151546648 395987548 /nfs/dbraw/zinc/98/75/48/395987548.db2.gz PQYKXSFIHXEWGW-LLVKDONJSA-N 0 0 305.382 0.031 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCCn1cnnc1C ZINC000151509663 395987561 /nfs/dbraw/zinc/98/75/61/395987561.db2.gz CTGGPRWTCBQISL-LBPRGKRZSA-N 0 0 310.402 0.581 10 0 DCAERN O=C1[C@H](N2CCO[C@@]3(CCOC3)C2)CCN1CC(F)(F)F ZINC000249063467 396001787 /nfs/dbraw/zinc/00/17/87/396001787.db2.gz YYSYQGMRNVLCDO-PWSUYJOCSA-N 0 0 308.300 0.641 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000248673511 395993807 /nfs/dbraw/zinc/99/38/07/395993807.db2.gz BYFGIQWNJBGFJX-MNOVXSKESA-N 0 0 308.382 0.683 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCNC(C)=O)C1 ZINC000151905926 395995826 /nfs/dbraw/zinc/99/58/26/395995826.db2.gz FNSZQVAQLPJDFH-ZDUSSCGKSA-N 0 0 307.398 0.928 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 ZINC000276703575 396022456 /nfs/dbraw/zinc/02/24/56/396022456.db2.gz PGUCVCDAOSOQKK-OLZOCXBDSA-N 0 0 306.366 0.622 10 0 DCAERN CC(C)[C@H](CNC(=O)NC[C@@H](O)C(C)C)N1CCOCC1 ZINC000153227998 396022609 /nfs/dbraw/zinc/02/26/09/396022609.db2.gz DSXQPXLYEGZFPT-UONOGXRCSA-N 0 0 301.431 0.659 10 0 DCAERN Cc1nccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000154012372 396028652 /nfs/dbraw/zinc/02/86/52/396028652.db2.gz FXXXOCOOWJCZAB-LBPRGKRZSA-N 0 0 300.366 0.917 10 0 DCAERN O=c1nc(CN2C[C@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000253555790 396030206 /nfs/dbraw/zinc/03/02/06/396030206.db2.gz CGNXZEAFTBSPLQ-DTWKUNHWSA-N 0 0 321.402 0.813 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000154104370 396031429 /nfs/dbraw/zinc/03/14/29/396031429.db2.gz STMGEIWCWVHNRO-UMSGYPCISA-N 0 0 301.408 0.885 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154196490 396033635 /nfs/dbraw/zinc/03/36/35/396033635.db2.gz CLOVCJKTUOJIOS-CYBMUJFWSA-N 0 0 310.398 0.558 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)C3=NN(C)C(=O)CC3)C2)cn1 ZINC000154216146 396034552 /nfs/dbraw/zinc/03/45/52/396034552.db2.gz JRBPKWAHDCIBNR-LLVKDONJSA-N 0 0 318.381 0.113 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000154286389 396035795 /nfs/dbraw/zinc/03/57/95/396035795.db2.gz VNKMRAYOPJSOND-JTQLQIEISA-N 0 0 324.406 0.054 10 0 DCAERN CC(=O)N[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1CO ZINC000257194916 396035983 /nfs/dbraw/zinc/03/59/83/396035983.db2.gz UYIBONMGZJZCPA-DZGCQCFKSA-N 0 0 301.346 0.737 10 0 DCAERN Cc1cccc(S(=O)(=O)CCCN2CCNC(=O)CC2)c1 ZINC000155178676 396047637 /nfs/dbraw/zinc/04/76/37/396047637.db2.gz CUVLSMUQGSBPGZ-UHFFFAOYSA-N 0 0 310.419 0.981 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1C ZINC000261618227 396049505 /nfs/dbraw/zinc/04/95/05/396049505.db2.gz BLJQPDDGPAFQAI-JGVFFNPUSA-N 0 0 319.408 0.206 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)c(=O)[nH]c1C ZINC000155721999 396056493 /nfs/dbraw/zinc/05/64/93/396056493.db2.gz AVJBDCMCMQXRSN-NSHDSACASA-N 0 0 306.366 0.518 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000261716192 396059116 /nfs/dbraw/zinc/05/91/16/396059116.db2.gz DVRAKFWWVYAHSV-JSGCOSHPSA-N 0 0 317.389 0.694 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@H](Oc3ccncc3)C2)CCC1=O ZINC000158048449 396064586 /nfs/dbraw/zinc/06/45/86/396064586.db2.gz LEMJVPBMYAGNFC-JSGCOSHPSA-N 0 0 318.377 0.865 10 0 DCAERN Cn1ncc2c1nc(N1CCC[C@H]1C(=O)NC1CC1)nc2N ZINC000276501975 396004202 /nfs/dbraw/zinc/00/42/02/396004202.db2.gz RMPRGILXBSTYJD-JTQLQIEISA-N 0 0 301.354 0.193 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2COc3ccccc32)C1 ZINC000250205884 396014671 /nfs/dbraw/zinc/01/46/71/396014671.db2.gz IHSAYRVEUIIENV-YPMHNXCESA-N 0 0 324.402 0.908 10 0 DCAERN COC(=O)c1nc(NCC(C)(C)NS(C)(=O)=O)sc1C ZINC000164673384 396087560 /nfs/dbraw/zinc/08/75/60/396087560.db2.gz DOJUKIXHJMPKPY-UHFFFAOYSA-N 0 0 321.424 0.978 10 0 DCAERN Cc1cnc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cn1 ZINC000169786441 396092545 /nfs/dbraw/zinc/09/25/45/396092545.db2.gz SXOVGYRCHHCNNQ-TZMCWYRMSA-N 0 0 318.377 0.134 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)C1CCCCC1)N1CCOCC1 ZINC000170839121 396098637 /nfs/dbraw/zinc/09/86/37/396098637.db2.gz WHQSZWURVBKIFN-HIFRSBDPSA-N 0 0 313.442 0.948 10 0 DCAERN CCN(CC(=O)Nc1cccc(OC)c1)Cc1noc(CN)n1 ZINC000262169665 396106553 /nfs/dbraw/zinc/10/65/53/396106553.db2.gz HPRUTPQTAMLZBZ-UHFFFAOYSA-N 0 0 319.365 0.998 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)no1 ZINC000171241874 396111659 /nfs/dbraw/zinc/11/16/59/396111659.db2.gz LYIVNHWLDUCLNU-GFCCVEGCSA-N 0 0 306.366 0.782 10 0 DCAERN Cc1ccc(-n2cc(C(=O)NC[C@@H]3CN(C)CCO3)nn2)cc1 ZINC000171287567 396112815 /nfs/dbraw/zinc/11/28/15/396112815.db2.gz UDYUHSYHKYFDAY-CQSZACIVSA-N 0 0 315.377 0.636 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCCOC1)N1C(=O)c2ccccc2C1=O ZINC000171701270 396122725 /nfs/dbraw/zinc/12/27/25/396122725.db2.gz JOONFDQDDGTAJC-WDEREUQCSA-N 0 0 302.330 0.966 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673354 396122912 /nfs/dbraw/zinc/12/29/12/396122912.db2.gz HNPCYSAZLMEXHZ-ZDUSSCGKSA-N 0 0 311.357 0.448 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)c1 ZINC000171840518 396125884 /nfs/dbraw/zinc/12/58/84/396125884.db2.gz CSHFCYXSSBGUTB-OLZOCXBDSA-N 0 0 323.397 0.079 10 0 DCAERN C[C@@H](O)CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000172342390 396131124 /nfs/dbraw/zinc/13/11/24/396131124.db2.gz RQMMLQYXHBTPLJ-OAHLLOKOSA-N 0 0 305.422 0.691 10 0 DCAERN Cc1cnc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000173634546 396135331 /nfs/dbraw/zinc/13/53/31/396135331.db2.gz RAYYLSHOHBTCDV-RKDXNWHRSA-N 0 0 305.425 0.895 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCCNC(=O)C3CC3)CCO2)[nH]1 ZINC000173526622 396135491 /nfs/dbraw/zinc/13/54/91/396135491.db2.gz HPKPBUZMCKZLEL-LBPRGKRZSA-N 0 0 321.381 0.319 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173471067 396135575 /nfs/dbraw/zinc/13/55/75/396135575.db2.gz VTGYPXPEMOAXKE-NXEZZACHSA-N 0 0 303.428 0.922 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C ZINC000174298695 396138241 /nfs/dbraw/zinc/13/82/41/396138241.db2.gz PEKIFLIJPRCZMR-NWDGAFQWSA-N 0 0 306.410 0.816 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000175574247 396140194 /nfs/dbraw/zinc/14/01/94/396140194.db2.gz FMBIJUJLZKXBMM-UKRRQHHQSA-N 0 0 324.402 0.668 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCCNC2=O)C1 ZINC000069337804 396075263 /nfs/dbraw/zinc/07/52/63/396075263.db2.gz YMUYVUORHSBWTH-RYUDHWBXSA-N 0 0 309.410 0.666 10 0 DCAERN COc1cc(NC(=O)N2CCC(n3cncn3)CC2)ncn1 ZINC000161810463 396077321 /nfs/dbraw/zinc/07/73/21/396077321.db2.gz PKDPAKJDNBLAMH-UHFFFAOYSA-N 0 0 303.326 0.946 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000162679152 396083089 /nfs/dbraw/zinc/08/30/89/396083089.db2.gz YOXQPMCQVSPMMB-UHFFFAOYSA-N 0 0 303.366 0.467 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000162976280 396084685 /nfs/dbraw/zinc/08/46/85/396084685.db2.gz NSHIYLXEUDBXEB-QWHCGFSZSA-N 0 0 324.425 0.698 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000178754333 396208270 /nfs/dbraw/zinc/20/82/70/396208270.db2.gz QPEJQIFUXOFYCI-UHFFFAOYSA-N 0 0 321.381 0.755 10 0 DCAERN O=C(Cc1cncnc1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000278995819 396145805 /nfs/dbraw/zinc/14/58/05/396145805.db2.gz ZXYFAFKFDZRXEP-AWEZNQCLSA-N 0 0 302.378 0.784 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCCC[C@H]1CO ZINC000175941448 396147217 /nfs/dbraw/zinc/14/72/17/396147217.db2.gz HQSDOCBFKNHCHO-UONOGXRCSA-N 0 0 320.393 0.662 10 0 DCAERN CN[C@H](C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1cnn(C)c1 ZINC000262508261 396148686 /nfs/dbraw/zinc/14/86/86/396148686.db2.gz JHGRRMJTHCGXKK-BONVTDFDSA-N 0 0 318.425 0.778 10 0 DCAERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000076940560 396209669 /nfs/dbraw/zinc/20/96/69/396209669.db2.gz JMCKMOFUUBLFRN-ODXZIHIVSA-N 0 0 303.428 0.452 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 ZINC000176083400 396149782 /nfs/dbraw/zinc/14/97/82/396149782.db2.gz TZEJWTJAIDRKKI-QPUJVOFHSA-N 0 0 307.325 0.991 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCCn2ncnc21 ZINC000176579858 396157236 /nfs/dbraw/zinc/15/72/36/396157236.db2.gz XDSXRWSHUZRTDG-ONGXEEELSA-N 0 0 304.354 0.176 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000176589781 396158537 /nfs/dbraw/zinc/15/85/37/396158537.db2.gz WZEFENFMYFCESU-CABCVRRESA-N 0 0 320.389 0.501 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)c1 ZINC000279218660 396158691 /nfs/dbraw/zinc/15/86/91/396158691.db2.gz XBAZCKPATGWSLW-IOASZLSFSA-N 0 0 308.378 0.544 10 0 DCAERN CN(C)C(=O)COc1cccc(NC(=O)[C@@H]2COCCN2)c1 ZINC000262599031 396160559 /nfs/dbraw/zinc/16/05/59/396160559.db2.gz AXBCORZFEQCQND-ZDUSSCGKSA-N 0 0 307.350 0.081 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N(C)C2CCC2)CC1 ZINC000074345744 396164675 /nfs/dbraw/zinc/16/46/75/396164675.db2.gz DGYQEGYDBJJQLS-UHFFFAOYSA-N 0 0 310.398 0.261 10 0 DCAERN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@H]1COCCN1 ZINC000262638828 396166272 /nfs/dbraw/zinc/16/62/72/396166272.db2.gz JKAAQWOMNDYHRY-ZWNOBZJWSA-N 0 0 311.332 0.648 10 0 DCAERN Cn1ncnc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177129557 396167162 /nfs/dbraw/zinc/16/71/62/396167162.db2.gz FTUDXMSMHWBDLY-OAHLLOKOSA-N 0 0 301.394 0.666 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000177151727 396167979 /nfs/dbraw/zinc/16/79/79/396167979.db2.gz JBBQLFBKGTYVKR-GFCCVEGCSA-N 0 0 303.366 0.791 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccccn2)C[C@H]1N1CCOCC1 ZINC000177297671 396170809 /nfs/dbraw/zinc/17/08/09/396170809.db2.gz XUNQQXKVCVNJTH-UKRRQHHQSA-N 0 0 304.394 0.944 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280281 396171333 /nfs/dbraw/zinc/17/13/33/396171333.db2.gz LBARWBOSHIPJTA-WCQYABFASA-N 0 0 308.382 0.574 10 0 DCAERN C[C@@H]1CN(C(=O)NCCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000177298151 396171384 /nfs/dbraw/zinc/17/13/84/396171384.db2.gz GDWCVBQZKYKCBH-ZIAGYGMSSA-N 0 0 307.398 0.245 10 0 DCAERN O=S(=O)(Cc1nc2ccccc2n1C(F)F)C[C@H](O)CO ZINC000177670201 396180451 /nfs/dbraw/zinc/18/04/51/396180451.db2.gz QCEDKWNTCFZDMP-MRVPVSSYSA-N 0 0 320.317 0.699 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000075525206 396181062 /nfs/dbraw/zinc/18/10/62/396181062.db2.gz RLZQDJUIJXDNFH-ONGXEEELSA-N 0 0 313.379 0.174 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2cccnc2)CC1 ZINC000262910411 396191542 /nfs/dbraw/zinc/19/15/42/396191542.db2.gz FRGQZCAEQYXXLQ-CYBMUJFWSA-N 0 0 310.348 0.723 10 0 DCAERN CC[C@H](CCO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178367179 396194620 /nfs/dbraw/zinc/19/46/20/396194620.db2.gz JMAQEBCOOPIAGG-SNVBAGLBSA-N 0 0 300.380 0.472 10 0 DCAERN O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263036905 396199431 /nfs/dbraw/zinc/19/94/31/396199431.db2.gz SKKIJFQRPHWOQZ-NSHDSACASA-N 0 0 323.299 0.396 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)C(=O)NCc1ccccc1 ZINC000263069110 396199759 /nfs/dbraw/zinc/19/97/59/396199759.db2.gz WIHQXEQWPKGHRY-PWSUYJOCSA-N 0 0 311.332 0.805 10 0 DCAERN COCCN(C)S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000178623737 396201017 /nfs/dbraw/zinc/20/10/17/396201017.db2.gz RLNVKEJQLDJQLT-UHFFFAOYSA-N 0 0 306.359 0.231 10 0 DCAERN CCc1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)n[nH]1 ZINC000076427847 396203901 /nfs/dbraw/zinc/20/39/01/396203901.db2.gz FOGITDNEVOYMNM-SNVBAGLBSA-N 0 0 300.384 0.725 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(C)C ZINC000178676853 396204002 /nfs/dbraw/zinc/20/40/02/396204002.db2.gz IFZBJUNHMYYQMR-ZDUSSCGKSA-N 0 0 318.439 0.621 10 0 DCAERN COC[C@@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181111127 396237351 /nfs/dbraw/zinc/23/73/51/396237351.db2.gz QHLZQLPWYIQUTR-JTQLQIEISA-N 0 0 317.411 0.288 10 0 DCAERN CSCCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181208545 396237875 /nfs/dbraw/zinc/23/78/75/396237875.db2.gz BQTGUQNTRCGRRR-UHFFFAOYSA-N 0 0 319.452 0.758 10 0 DCAERN Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000077985856 396238116 /nfs/dbraw/zinc/23/81/16/396238116.db2.gz CBXRBADXVXJPEH-LBPRGKRZSA-N 0 0 312.391 0.893 10 0 DCAERN CS[C@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181386846 396238848 /nfs/dbraw/zinc/23/88/48/396238848.db2.gz XTVJFNPZBPPWJN-SECBINFHSA-N 0 0 319.452 0.757 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181781738 396242306 /nfs/dbraw/zinc/24/23/06/396242306.db2.gz VERXVSGJEMVYLL-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000181836523 396243198 /nfs/dbraw/zinc/24/31/98/396243198.db2.gz ICZGQCYLBBFLJL-KBPBESRZSA-N 0 0 315.458 0.882 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N(C)Cc1cnn(C)c1 ZINC000182121026 396247072 /nfs/dbraw/zinc/24/70/72/396247072.db2.gz SMKNSDISTUFBDK-UHFFFAOYSA-N 0 0 314.349 0.983 10 0 DCAERN O=C(NCCCOCC(F)(F)F)NCCCn1ccnn1 ZINC000182273655 396248466 /nfs/dbraw/zinc/24/84/66/396248466.db2.gz OKBCCBJMQQNDSW-UHFFFAOYSA-N 0 0 309.292 0.936 10 0 DCAERN CCc1nnc2ccc(N3CCC[C@@]4(CNC(=O)C4)C3)nn21 ZINC000078568237 396248594 /nfs/dbraw/zinc/24/85/94/396248594.db2.gz AZOVMEBLCTVHPU-OAHLLOKOSA-N 0 0 300.366 0.793 10 0 DCAERN Cn1nc(C2CCCC2)cc1NC(=O)CN1CC(=O)NC1=O ZINC000184046024 396281955 /nfs/dbraw/zinc/28/19/55/396281955.db2.gz YORFGBFZTBLRBT-UHFFFAOYSA-N 0 0 305.338 0.568 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000264119669 396256242 /nfs/dbraw/zinc/25/62/42/396256242.db2.gz CBZDHCAJMHDJOZ-SKDRFNHKSA-N 0 0 317.345 0.757 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)NCCCn1ccnn1 ZINC000182989665 396258346 /nfs/dbraw/zinc/25/83/46/396258346.db2.gz MXTSERDLWWDCFT-UHFFFAOYSA-N 0 0 301.306 0.543 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)NCCCn2ccnn2)NC1=O ZINC000182986170 396258504 /nfs/dbraw/zinc/25/85/04/396258504.db2.gz OYDBDBKNMNTAIQ-SNVBAGLBSA-N 0 0 315.333 0.818 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000183223895 396264708 /nfs/dbraw/zinc/26/47/08/396264708.db2.gz PFRMIGNSIRTYQF-GJZGRUSLSA-N 0 0 313.442 0.452 10 0 DCAERN Cc1cc(C(=O)NCCS(N)(=O)=O)nn1-c1ccccc1 ZINC000079598684 396268413 /nfs/dbraw/zinc/26/84/13/396268413.db2.gz BKHGTGRYFQDWFS-UHFFFAOYSA-N 0 0 308.363 0.199 10 0 DCAERN Cn1cnc2cc(C(=O)NCc3nnc4n3CCCC4)cnc21 ZINC000183627913 396272702 /nfs/dbraw/zinc/27/27/02/396272702.db2.gz VPGGDGXRJFLLPT-UHFFFAOYSA-N 0 0 311.349 0.826 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000183646097 396272800 /nfs/dbraw/zinc/27/28/00/396272800.db2.gz DABAHUZPWIQORV-FIMANENLSA-N 0 0 302.318 0.462 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000183752187 396273894 /nfs/dbraw/zinc/27/38/94/396273894.db2.gz OVYDFVLBOIVGHF-WDEREUQCSA-N 0 0 310.350 0.593 10 0 DCAERN O=C(CNC(=O)N[C@H]1c2ccccc2C[C@@H]1O)NCC1CC1 ZINC000183773884 396274583 /nfs/dbraw/zinc/27/45/83/396274583.db2.gz ZACAYQIETIBVCF-ZFWWWQNUSA-N 0 0 303.362 0.470 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)NCC1CC1)[C@@H](O)Cc1ccccc1 ZINC000183798892 396275331 /nfs/dbraw/zinc/27/53/31/396275331.db2.gz BJCNYWSGKYXWQK-DOMZBBRYSA-N 0 0 319.405 0.804 10 0 DCAERN CN1C[C@H](NC(=O)NCc2ccc([S@](C)=O)cc2)CCC1=O ZINC000080147424 396275747 /nfs/dbraw/zinc/27/57/47/396275747.db2.gz XQPICHTWXVPHHW-VERVWZFWSA-N 0 0 323.418 0.844 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CC(C)(C)O1 ZINC000264407331 396276849 /nfs/dbraw/zinc/27/68/49/396276849.db2.gz IHZZUHOWVNWTDC-VIFPVBQESA-N 0 0 304.354 0.434 10 0 DCAERN CC1(Cn2cc(C(=O)N[C@H]3CCCC[C@H]3CO)nn2)COC1 ZINC000183945944 396278173 /nfs/dbraw/zinc/27/81/73/396278173.db2.gz LHFSZNBBKGLEOR-RYUDHWBXSA-N 0 0 308.382 0.596 10 0 DCAERN COC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000178960948 396217145 /nfs/dbraw/zinc/21/71/45/396217145.db2.gz AVQKZYQNOCCXSM-GHMZBOCLSA-N 0 0 307.354 0.850 10 0 DCAERN O=C1NCC[C@@H]1Sc1n[nH]c(=O)n1CCc1ccccc1 ZINC000179005152 396217594 /nfs/dbraw/zinc/21/75/94/396217594.db2.gz CYGVSVHLFYXQMB-NSHDSACASA-N 0 0 304.375 0.795 10 0 DCAERN Cc1c(N[C@H]2CCNC2=O)cccc1C(=O)N1CCOCC1 ZINC000179043539 396219434 /nfs/dbraw/zinc/21/94/34/396219434.db2.gz FZYCYEOPJCGKGL-AWEZNQCLSA-N 0 0 303.362 0.768 10 0 DCAERN CN(C)c1cccc(-c2nnc(S[C@H]3CCNC3=O)n2N)c1 ZINC000179089941 396221345 /nfs/dbraw/zinc/22/13/45/396221345.db2.gz KVRQGMAHNDDHQS-NSHDSACASA-N 0 0 318.406 0.706 10 0 DCAERN Nn1c(COc2ccc(F)cc2)nnc1S[C@H]1CCNC1=O ZINC000179087428 396221586 /nfs/dbraw/zinc/22/15/86/396221586.db2.gz OVNLNUKJEHSISX-JTQLQIEISA-N 0 0 323.353 0.691 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC(=O)N1C ZINC000282322946 396280561 /nfs/dbraw/zinc/28/05/61/396280561.db2.gz JXPCAZRGUIKGKI-NSHDSACASA-N 0 0 315.373 0.898 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@](C)(O)c2ccsc2)CCC1=O ZINC000077582967 396226633 /nfs/dbraw/zinc/22/66/33/396226633.db2.gz HMHKGRCKXQYDAJ-RISCZKNCSA-N 0 0 311.407 0.876 10 0 DCAERN C[C@@H](Cn1cncn1)NS(=O)(=O)N(C)C1CCCCC1 ZINC000077618450 396227406 /nfs/dbraw/zinc/22/74/06/396227406.db2.gz IIXBJNPXVOWVRH-NSHDSACASA-N 0 0 301.416 0.766 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)C(=O)c1cnn(C)c1 ZINC000180375054 396232797 /nfs/dbraw/zinc/23/27/97/396232797.db2.gz DOSSPCCVJCPHRT-UHFFFAOYSA-N 0 0 303.366 0.702 10 0 DCAERN CCC(CC)[C@@H](C(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000184992722 396313303 /nfs/dbraw/zinc/31/33/03/396313303.db2.gz CGBNHXLFXOWWLI-HNNXBMFYSA-N 0 0 323.441 0.921 10 0 DCAERN COc1cc(-c2noc(CN3C[C@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135643 396318254 /nfs/dbraw/zinc/31/82/54/396318254.db2.gz YVTSQNIZNBRUNE-CHWSQXEVSA-N 0 0 319.361 0.981 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282436353 396290220 /nfs/dbraw/zinc/29/02/20/396290220.db2.gz RGZGRTZBJYFMCA-JTQLQIEISA-N 0 0 317.345 0.517 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184333527 396290921 /nfs/dbraw/zinc/29/09/21/396290921.db2.gz IBXAFKNRVQWXFQ-UHFFFAOYSA-N 0 0 318.420 0.763 10 0 DCAERN CC1(C)NC(=O)N(CCN2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000081047835 396292149 /nfs/dbraw/zinc/29/21/49/396292149.db2.gz YAOKQSOQTWQPDI-NSHDSACASA-N 0 0 309.288 0.316 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccnc(-n2cccn2)c1 ZINC000184371810 396292134 /nfs/dbraw/zinc/29/21/34/396292134.db2.gz UAKXGNZZLBVFLT-WCQYABFASA-N 0 0 322.390 0.864 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184352886 396292177 /nfs/dbraw/zinc/29/21/77/396292177.db2.gz QCIBHGWZOAXGOI-SNVBAGLBSA-N 0 0 324.406 0.760 10 0 DCAERN CC(C)C(=O)N1CCCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000184418658 396295450 /nfs/dbraw/zinc/29/54/50/396295450.db2.gz BSPUILZJZTWCND-OLZOCXBDSA-N 0 0 318.439 0.684 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)Nc1cnc(N(C)C)nc1 ZINC000184516386 396297878 /nfs/dbraw/zinc/29/78/78/396297878.db2.gz WLASGUGRHZEGQZ-CYBMUJFWSA-N 0 0 307.398 0.982 10 0 DCAERN CCN(CC)C(=O)CN1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000185161710 396320095 /nfs/dbraw/zinc/32/00/95/396320095.db2.gz AFHUYQLLIWGVDT-NSHDSACASA-N 0 0 311.348 0.396 10 0 DCAERN C[C@H](C(=O)Nc1ccc(F)cc1F)N1C[C@H](O)C[C@@H]1CO ZINC000184717056 396302444 /nfs/dbraw/zinc/30/24/44/396302444.db2.gz XXEGBOBJSTVIKE-FBIMIBRVSA-N 0 0 300.305 0.719 10 0 DCAERN Cn1ncnc1NC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000185506188 396329488 /nfs/dbraw/zinc/32/94/88/396329488.db2.gz BKFBTHDPJSDHEV-UHFFFAOYSA-N 0 0 306.351 0.757 10 0 DCAERN CC[C@@H](CO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185494642 396328859 /nfs/dbraw/zinc/32/88/59/396328859.db2.gz KVFPWBLYQDYZKS-JTQLQIEISA-N 0 0 309.370 0.609 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265708563 396338464 /nfs/dbraw/zinc/33/84/64/396338464.db2.gz VBYLUFUUFGEOFS-WDEREUQCSA-N 0 0 300.384 0.100 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000185850517 396335801 /nfs/dbraw/zinc/33/58/01/396335801.db2.gz JSRWDJSIUVSGPI-SWLSCSKDSA-N 0 0 311.332 0.962 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N(C)CC)C1 ZINC000186197458 396344509 /nfs/dbraw/zinc/34/45/09/396344509.db2.gz UEPJLCMBTPJYPP-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ccc(Br)cn2)C1 ZINC000284769090 396346140 /nfs/dbraw/zinc/34/61/40/396346140.db2.gz GYLUILCAJLXECD-GFCCVEGCSA-N 0 0 314.183 0.656 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC1(CO)CCC1)CC2 ZINC000186254420 396346370 /nfs/dbraw/zinc/34/63/70/396346370.db2.gz HJLJOHISNJPFKV-LLVKDONJSA-N 0 0 307.398 0.931 10 0 DCAERN COCC(=O)NC1CN(C(=O)CNc2c(C)cccc2C)C1 ZINC000186310890 396347336 /nfs/dbraw/zinc/34/73/36/396347336.db2.gz NKEQTRRJKUUFFT-UHFFFAOYSA-N 0 0 305.378 0.689 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(CC(C)(C)O)CC2)c1 ZINC000186306090 396347575 /nfs/dbraw/zinc/34/75/75/396347575.db2.gz TUAFETMCZDYCPH-UHFFFAOYSA-N 0 0 310.350 0.595 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000186094562 396341378 /nfs/dbraw/zinc/34/13/78/396341378.db2.gz AXVZTTLUNHUKFL-JTQLQIEISA-N 0 0 310.297 0.957 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186119457 396341791 /nfs/dbraw/zinc/34/17/91/396341791.db2.gz NVUCUYVCQFITMS-GFCCVEGCSA-N 0 0 323.418 0.380 10 0 DCAERN O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186636203 396354007 /nfs/dbraw/zinc/35/40/07/396354007.db2.gz QNJKODSRLPQJLE-SJLPKXTDSA-N 0 0 318.417 0.811 10 0 DCAERN O=C(NC1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1)C1CC1 ZINC000186769016 396357833 /nfs/dbraw/zinc/35/78/33/396357833.db2.gz GKVTYTHXCKWGLC-UHFFFAOYSA-N 0 0 312.329 0.274 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187019618 396361576 /nfs/dbraw/zinc/36/15/76/396361576.db2.gz BGUVMROFKUZDBJ-UWVGGRQHSA-N 0 0 313.320 0.272 10 0 DCAERN O=C1CCc2ccc(OC[C@@H](O)CN3CCOCC3)cc2N1 ZINC000187354482 396368009 /nfs/dbraw/zinc/36/80/09/396368009.db2.gz FFQGJGUDFRJCFA-ZDUSSCGKSA-N 0 0 306.362 0.643 10 0 DCAERN O=C(CN1CCCC1=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187631691 396372104 /nfs/dbraw/zinc/37/21/04/396372104.db2.gz MCZLCUCBLNPBPV-STQMWFEESA-N 0 0 308.403 0.905 10 0 DCAERN COCCn1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000187740909 396373653 /nfs/dbraw/zinc/37/36/53/396373653.db2.gz ZFRYVXQHCRJTJW-LBPRGKRZSA-N 0 0 303.366 0.893 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000285216332 396348995 /nfs/dbraw/zinc/34/89/95/396348995.db2.gz FILNBZPQCJJBPY-NSHDSACASA-N 0 0 306.149 0.774 10 0 DCAERN CN(CC(=O)Nc1cn(Cc2ccccc2)nn1)S(C)(=O)=O ZINC000188272454 396381305 /nfs/dbraw/zinc/38/13/05/396381305.db2.gz QBHBSEVJWTZXMS-UHFFFAOYSA-N 0 0 323.378 0.156 10 0 DCAERN COc1ncncc1NC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000188451384 396382291 /nfs/dbraw/zinc/38/22/91/396382291.db2.gz TXSOCEDOUFSULL-UHFFFAOYSA-N 0 0 317.353 0.871 10 0 DCAERN CC(C)c1nnc(CCC(=O)N2CCN(CCO)[C@@H](C)C2)o1 ZINC000188781810 396386773 /nfs/dbraw/zinc/38/67/73/396386773.db2.gz PPRMQYRLMBZYFS-LBPRGKRZSA-N 0 0 310.398 0.651 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188921465 396388347 /nfs/dbraw/zinc/38/83/47/396388347.db2.gz UOVKWLOHYYKAHS-GSDQLPOLSA-N 0 0 301.412 0.064 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000188955723 396389175 /nfs/dbraw/zinc/38/91/75/396389175.db2.gz BLOVDAAKZZRCKR-SKDRFNHKSA-N 0 0 319.336 0.989 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000188939250 396389372 /nfs/dbraw/zinc/38/93/72/396389372.db2.gz NDUPARFGBZNDCB-GFCCVEGCSA-N 0 0 309.410 0.618 10 0 DCAERN CN1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000189208057 396392063 /nfs/dbraw/zinc/39/20/63/396392063.db2.gz BRKZGDUNWMUTQG-UHFFFAOYSA-N 0 0 300.318 0.227 10 0 DCAERN COc1cccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189292001 396392572 /nfs/dbraw/zinc/39/25/72/396392572.db2.gz ISUFVAXYURQQJC-GFCCVEGCSA-N 0 0 305.378 0.522 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189756250 396398430 /nfs/dbraw/zinc/39/84/30/396398430.db2.gz PYCIESVWVVSQNF-CYBMUJFWSA-N 0 0 310.398 0.808 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189756241 396398460 /nfs/dbraw/zinc/39/84/60/396398460.db2.gz PYCIESVWVVSQNF-ZDUSSCGKSA-N 0 0 310.398 0.808 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)CCC2CCCC2)CC1=O ZINC000189796527 396399728 /nfs/dbraw/zinc/39/97/28/396399728.db2.gz WATQARZNQMBVFY-UHFFFAOYSA-N 0 0 309.410 0.764 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000190164332 396403016 /nfs/dbraw/zinc/40/30/16/396403016.db2.gz PUAGBWITGVREAS-NSHDSACASA-N 0 0 320.397 0.246 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)NCCCN1C(=O)CNC1=O ZINC000269309119 396406223 /nfs/dbraw/zinc/40/62/23/396406223.db2.gz XTTHJKMQLAZTHN-NSHDSACASA-N 0 0 311.382 0.830 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)[C@@H](C)COC)CC2)[nH]1 ZINC000190488032 396407090 /nfs/dbraw/zinc/40/70/90/396407090.db2.gz IUYGRCJQNWYMGN-JTQLQIEISA-N 0 0 316.427 0.911 10 0 DCAERN CNC(=O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511444 396407158 /nfs/dbraw/zinc/40/71/58/396407158.db2.gz BNBQWJQYRJETTQ-ZDUSSCGKSA-N 0 0 313.442 0.860 10 0 DCAERN CCN1CN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1=O ZINC000190540183 396407875 /nfs/dbraw/zinc/40/78/75/396407875.db2.gz GKONNTGTGRYAIA-UHFFFAOYSA-N 0 0 312.329 0.703 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190676242 396409563 /nfs/dbraw/zinc/40/95/63/396409563.db2.gz NCCVGAFZHNTYRT-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000190679378 396410240 /nfs/dbraw/zinc/41/02/40/396410240.db2.gz AUGYOQGVJCMZOT-MRVPVSSYSA-N 0 0 310.741 0.411 10 0 DCAERN CO[C@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000190750374 396411209 /nfs/dbraw/zinc/41/12/09/396411209.db2.gz KSALUADZMZKTQW-SECBINFHSA-N 0 0 303.384 0.040 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000190993184 396413952 /nfs/dbraw/zinc/41/39/52/396413952.db2.gz VFRCSXOMXXYNFX-LLVKDONJSA-N 0 0 312.391 0.903 10 0 DCAERN CN1CCCN(CCc2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000191113684 396415988 /nfs/dbraw/zinc/41/59/88/396415988.db2.gz IDLAZTNKLNPXQB-UHFFFAOYSA-N 0 0 300.362 0.630 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCCN(C)C(=O)C1 ZINC000191155335 396416045 /nfs/dbraw/zinc/41/60/45/396416045.db2.gz INWLOIPDZZUFHQ-UHFFFAOYSA-N 0 0 303.362 0.992 10 0 DCAERN CN1CCCN(CC(=O)N2CCc3sccc3C2)CC1=O ZINC000191128278 396416048 /nfs/dbraw/zinc/41/60/48/396416048.db2.gz SLQMXFQMKLNJOA-UHFFFAOYSA-N 0 0 307.419 0.797 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)[nH]1 ZINC000191484435 396419694 /nfs/dbraw/zinc/41/96/94/396419694.db2.gz HOSWUQDFKMVPCP-SNVBAGLBSA-N 0 0 303.370 0.926 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CN(CC)CCO3)CC2)[nH]1 ZINC000191487695 396420517 /nfs/dbraw/zinc/42/05/17/396420517.db2.gz UOVSXAVUFJPKLS-ZDUSSCGKSA-N 0 0 321.425 0.794 10 0 DCAERN CCN1CN(CC(=O)N[C@H](C)c2ccccc2OC)CC1=O ZINC000191582077 396422075 /nfs/dbraw/zinc/42/20/75/396422075.db2.gz HOQXXAKTCMGAKU-GFCCVEGCSA-N 0 0 305.378 0.994 10 0 DCAERN COCCN1CCCN(C(=O)Nc2ccncc2F)CC1=O ZINC000191593664 396422198 /nfs/dbraw/zinc/42/21/98/396422198.db2.gz LPFHRLIHFSRPIY-UHFFFAOYSA-N 0 0 310.329 0.933 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000191641113 396422757 /nfs/dbraw/zinc/42/27/57/396422757.db2.gz LACQBABIDYGSGV-LLVKDONJSA-N 0 0 316.361 0.600 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000191728922 396423838 /nfs/dbraw/zinc/42/38/38/396423838.db2.gz KVVRPDIMWFFKSR-CYBMUJFWSA-N 0 0 300.399 0.191 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000193200235 396445525 /nfs/dbraw/zinc/44/55/25/396445525.db2.gz HPLXMRPBTPHGLP-GFCCVEGCSA-N 0 0 320.393 0.192 10 0 DCAERN CCN1CN(C(=O)[C@H](C)NC(=O)c2cccc(C)c2)CC1=O ZINC000191829374 396425279 /nfs/dbraw/zinc/42/52/79/396425279.db2.gz GBYAJCGMZOVWGH-LBPRGKRZSA-N 0 0 303.362 0.762 10 0 DCAERN CN1CCCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1=O ZINC000191868640 396425666 /nfs/dbraw/zinc/42/56/66/396425666.db2.gz AQHAXERNYVVOGU-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCN(CC(N)=O)S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192652531 396433755 /nfs/dbraw/zinc/43/37/55/396433755.db2.gz KCBCREFOJRJTBB-UHFFFAOYSA-N 0 0 312.391 0.896 10 0 DCAERN O=C(CN1CCCCC1=O)NCc1cccnc1-n1ccnc1 ZINC000193018482 396442095 /nfs/dbraw/zinc/44/20/95/396442095.db2.gz IFVBQYLWUWUXAL-UHFFFAOYSA-N 0 0 313.361 0.896 10 0 DCAERN CC(C)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1F ZINC000187996599 396377886 /nfs/dbraw/zinc/37/78/86/396377886.db2.gz XYZXGTVMNPJQQF-RYUDHWBXSA-N 0 0 324.352 0.842 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC000580919663 396511186 /nfs/dbraw/zinc/51/11/86/396511186.db2.gz VRPDNIKJVBWFKO-UHFFFAOYSA-N 0 0 303.366 0.285 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1nc(C(C)C)cs1 ZINC000193311186 396448863 /nfs/dbraw/zinc/44/88/63/396448863.db2.gz XMLNFHHZEQUHFB-UHFFFAOYSA-N 0 0 312.395 0.800 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000193305946 396448991 /nfs/dbraw/zinc/44/89/91/396448991.db2.gz UPNDIFVGZZRWCF-AWEZNQCLSA-N 0 0 306.410 0.954 10 0 DCAERN CCOc1cc(C)nc(N2CCN(Cc3nnn(C)n3)CC2)n1 ZINC000193357447 396449628 /nfs/dbraw/zinc/44/96/28/396449628.db2.gz NFFMTGNWYVSJIL-UHFFFAOYSA-N 0 0 318.385 0.029 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000193511347 396452732 /nfs/dbraw/zinc/45/27/32/396452732.db2.gz FHSQKMTVRAAPFP-SECBINFHSA-N 0 0 324.768 0.719 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CN(C)C(=O)c1cccs1 ZINC000289212778 396456702 /nfs/dbraw/zinc/45/67/02/396456702.db2.gz YMUHEHAZTFDXNF-SECBINFHSA-N 0 0 300.380 0.944 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000270104394 396461568 /nfs/dbraw/zinc/46/15/68/396461568.db2.gz ONNJRUUMZFVBCL-PBFPGSCMSA-N 0 0 319.357 0.829 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@H](O)C[C@@H]1CO ZINC000371519876 396469316 /nfs/dbraw/zinc/46/93/16/396469316.db2.gz OCVZHFMCMAHXDZ-HTQZYQBOSA-N 0 0 301.140 0.412 10 0 DCAERN O=C(C(=O)N1CC(n2ccnn2)C1)c1cnn(-c2ccccc2)c1 ZINC000371568346 396471010 /nfs/dbraw/zinc/47/10/10/396471010.db2.gz ILBLNBPOYZBHAT-UHFFFAOYSA-N 0 0 322.328 0.730 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371789306 396476682 /nfs/dbraw/zinc/47/66/82/396476682.db2.gz RHDDYGPLHIDVSA-LBPRGKRZSA-N 0 0 311.407 0.151 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371793935 396476893 /nfs/dbraw/zinc/47/68/93/396476893.db2.gz CHIODNIFSUZUFZ-ZDUSSCGKSA-N 0 0 324.402 0.247 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371828291 396477934 /nfs/dbraw/zinc/47/79/34/396477934.db2.gz GMSBUYORQQQEBZ-ZDUSSCGKSA-N 0 0 307.325 0.307 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000371864803 396479119 /nfs/dbraw/zinc/47/91/19/396479119.db2.gz OHVFMLQPNUNFEO-LBPRGKRZSA-N 0 0 305.334 0.025 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)CC1=O ZINC000372589061 396530132 /nfs/dbraw/zinc/53/01/32/396530132.db2.gz ZZLLGDTZTTVUKV-LPWJVIDDSA-N 0 0 322.409 0.293 10 0 DCAERN CC(C)(CNC(=O)c1cncc(-n2ccnn2)c1)OCCO ZINC000292102863 396530697 /nfs/dbraw/zinc/53/06/97/396530697.db2.gz OQQAMHJVQQSBGR-UHFFFAOYSA-N 0 0 305.338 0.180 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)C1 ZINC000372719515 396539905 /nfs/dbraw/zinc/53/99/05/396539905.db2.gz QYUMFHWFWDJDOI-OUCADQQQSA-N 0 0 307.398 0.866 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000372765583 396544193 /nfs/dbraw/zinc/54/41/93/396544193.db2.gz BCTRCHZNHPXFHP-NDBYEHHHSA-N 0 0 300.424 0.961 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1F ZINC000373006549 396559688 /nfs/dbraw/zinc/55/96/88/396559688.db2.gz HIGZSETYCSXBRZ-CYBMUJFWSA-N 0 0 321.352 0.941 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000373027869 396560762 /nfs/dbraw/zinc/56/07/62/396560762.db2.gz WZLOTKIQZSRQDX-AGIUHOORSA-N 0 0 317.407 0.769 10 0 DCAERN Cc1noc(C2CN(C(=O)[C@@H]3COCCN3CC3CCC3)C2)n1 ZINC000373085944 396564658 /nfs/dbraw/zinc/56/46/58/396564658.db2.gz HFRLWIRSWUDYAX-AWEZNQCLSA-N 0 0 320.393 0.805 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(C3CC3)C2)cn1 ZINC000373252962 396578472 /nfs/dbraw/zinc/57/84/72/396578472.db2.gz CNAKZVRCWOCNAU-INIZCTEOSA-N 0 0 318.377 0.460 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cc(C2CC2)n[nH]1 ZINC000585735046 396651314 /nfs/dbraw/zinc/65/13/14/396651314.db2.gz MZJQHVWXDUDUNH-UHFFFAOYSA-N 0 0 312.395 0.443 10 0 DCAERN O=C(Cc1cccs1)NCCCN1CCCS1(=O)=O ZINC000585738261 396652178 /nfs/dbraw/zinc/65/21/78/396652178.db2.gz SZIWHGLZDOPVEU-UHFFFAOYSA-N 0 0 302.421 0.832 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@]3(CCSC3)C2)nn1 ZINC000582004257 396601016 /nfs/dbraw/zinc/60/10/16/396601016.db2.gz JRZPUKWWGBJOKG-CYBMUJFWSA-N 0 0 310.379 0.215 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)c1ccccc1S(C)(=O)=O ZINC000582330878 396604732 /nfs/dbraw/zinc/60/47/32/396604732.db2.gz QMUMXCWOVWRDLN-LLVKDONJSA-N 0 0 317.432 0.961 10 0 DCAERN CC1(C)CN(C(=O)CCn2ccnn2)C[C@@]2(CCCOC2)O1 ZINC000373811541 396615850 /nfs/dbraw/zinc/61/58/50/396615850.db2.gz MIOWFALNIWIUTQ-OAHLLOKOSA-N 0 0 308.382 0.855 10 0 DCAERN Cc1csc(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n1 ZINC000373844065 396617881 /nfs/dbraw/zinc/61/78/81/396617881.db2.gz ILVVYNVOBPBWRG-CYBMUJFWSA-N 0 0 323.378 0.064 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000586613734 396661616 /nfs/dbraw/zinc/66/16/16/396661616.db2.gz LFNZBOMIECQYPJ-TXEJJXNPSA-N 0 0 319.427 0.231 10 0 DCAERN CNS(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000586762315 396663456 /nfs/dbraw/zinc/66/34/56/396663456.db2.gz PMMTVGGRUJSDIX-NSHDSACASA-N 0 0 300.380 0.981 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccccn1 ZINC000586785094 396665457 /nfs/dbraw/zinc/66/54/57/396665457.db2.gz KGFKUYZYCSUYEY-UHFFFAOYSA-N 0 0 312.395 0.306 10 0 DCAERN CO[C@@H](C)CCNC(=O)NCCCN1CCCS1(=O)=O ZINC000588294513 396683640 /nfs/dbraw/zinc/68/36/40/396683640.db2.gz AAXLJDMFPBOYKC-NSHDSACASA-N 0 0 307.416 0.136 10 0 DCAERN CN1N=C(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CCC1=O ZINC000374758033 396685953 /nfs/dbraw/zinc/68/59/53/396685953.db2.gz JHKVZDUZURCISF-BXUZGUMPSA-N 0 0 323.393 0.279 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000588642803 396686615 /nfs/dbraw/zinc/68/66/15/396686615.db2.gz DFBMHOFBXSLKFA-GFCCVEGCSA-N 0 0 323.368 0.501 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000374941486 396699388 /nfs/dbraw/zinc/69/93/88/396699388.db2.gz BXISPOGSYGPCTM-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(Cc2nccn2C)CC1 ZINC000301413238 396716513 /nfs/dbraw/zinc/71/65/13/396716513.db2.gz ZJEMELNUVGBHPO-UHFFFAOYSA-N 0 0 314.393 0.497 10 0 DCAERN CN1CCN(c2cc(NCC[C@H]3CCCO3)ncn2)CC1=O ZINC000302221073 396718005 /nfs/dbraw/zinc/71/80/05/396718005.db2.gz NMMUKHNDNVHBBG-GFCCVEGCSA-N 0 0 305.382 0.736 10 0 DCAERN C[C@H](O)c1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000375236004 396720017 /nfs/dbraw/zinc/72/00/17/396720017.db2.gz DGDBLYOCOLEQJG-BBRMVZONSA-N 0 0 319.405 0.966 10 0 DCAERN COc1cccc(NC(=O)CN2CCN3CCOC[C@H]3C2)c1 ZINC000375242818 396721219 /nfs/dbraw/zinc/72/12/19/396721219.db2.gz QWWRSSKDKRXFQJ-CQSZACIVSA-N 0 0 305.378 0.650 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2c[nH]c3ncccc23)C1 ZINC000314141828 396778131 /nfs/dbraw/zinc/77/81/31/396778131.db2.gz GISKNZWMLBDOPP-UWVGGRQHSA-N 0 0 311.363 0.333 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)NC[C@]1(OCCO)CCOC1 ZINC000617709363 396782440 /nfs/dbraw/zinc/78/24/40/396782440.db2.gz WCUGEQHNRBNKGO-OAHLLOKOSA-N 0 0 301.383 0.666 10 0 DCAERN CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cn2cccnc2n1 ZINC000610940948 396787931 /nfs/dbraw/zinc/78/79/31/396787931.db2.gz UVIXWZDASPNHOD-NSHDSACASA-N 0 0 306.322 0.379 10 0 DCAERN O=C(CC[C@@H]1CCCCO1)NCCCN1CCCS1(=O)=O ZINC000600082701 396732307 /nfs/dbraw/zinc/73/23/07/396732307.db2.gz XHRJNWIBXHZDFF-ZDUSSCGKSA-N 0 0 318.439 0.878 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NCc2nc(C(N)=O)co2)c1C ZINC000617490297 396736887 /nfs/dbraw/zinc/73/68/87/396736887.db2.gz CHNCDBHBDPREFG-UHFFFAOYSA-N 0 0 304.306 0.851 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000590108046 396741031 /nfs/dbraw/zinc/74/10/31/396741031.db2.gz OOKIUJROBVNWCT-UHFFFAOYSA-N 0 0 317.392 0.540 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916131 396744114 /nfs/dbraw/zinc/74/41/14/396744114.db2.gz OYRIFBIZYDKIQT-CQSZACIVSA-N 0 0 306.410 0.551 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918623 396746934 /nfs/dbraw/zinc/74/69/34/396746934.db2.gz QIDCPGZSAVBQRQ-LBPRGKRZSA-N 0 0 307.398 0.024 10 0 DCAERN CN1C[C@@H](Nc2ncncc2I)CC1=O ZINC000307707673 396756794 /nfs/dbraw/zinc/75/67/94/396756794.db2.gz HWHXXTSISHUURI-LURJTMIESA-N 0 0 318.118 0.724 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000625067683 396764142 /nfs/dbraw/zinc/76/41/42/396764142.db2.gz UGAXQDWVBYTMOF-CMPLNLGQSA-N 0 0 304.412 0.436 10 0 DCAERN CCCCOC[C@H](O)CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312819246 396766365 /nfs/dbraw/zinc/76/63/65/396766365.db2.gz MNBHIGHKFCTVOJ-UONOGXRCSA-N 0 0 307.456 0.921 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)NCC[C@H](O)C(F)F)CS2 ZINC000633995142 396767429 /nfs/dbraw/zinc/76/74/29/396767429.db2.gz QNIQPTFIEZRJKT-UBJUHAIHSA-N 0 0 308.350 0.573 10 0 DCAERN CO[C@@](C)(CNC(=O)[C@@H]1CNC(=O)C1)COCc1ccccc1 ZINC000617676940 396769280 /nfs/dbraw/zinc/76/92/80/396769280.db2.gz CKIFPCOIHMBMEQ-YOEHRIQHSA-N 0 0 320.389 0.861 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cn1C ZINC000328626787 396824801 /nfs/dbraw/zinc/82/48/01/396824801.db2.gz MCVDUPRQSJZABU-LLVKDONJSA-N 0 0 324.410 0.129 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000375984803 396855841 /nfs/dbraw/zinc/85/58/41/396855841.db2.gz MVAGVVIIBVWTKN-GXTWGEPZSA-N 0 0 314.407 0.316 10 0 DCAERN COCCCCS(=O)(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000375714184 396803089 /nfs/dbraw/zinc/80/30/89/396803089.db2.gz KEYUFNZGOVUNJA-ZDUSSCGKSA-N 0 0 307.412 0.624 10 0 DCAERN COC(=O)c1cccc(C(=O)NC2(CCO)CCOCC2)n1 ZINC000611526891 396880463 /nfs/dbraw/zinc/88/04/63/396880463.db2.gz XHENOKWQPMZNMV-UHFFFAOYSA-N 0 0 308.334 0.530 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629933231 396890629 /nfs/dbraw/zinc/89/06/29/396890629.db2.gz ZADMYYNJESOIRE-OCCSQVGLSA-N 0 0 307.394 0.515 10 0 DCAERN COC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC1 ZINC000611614002 396894552 /nfs/dbraw/zinc/89/45/52/396894552.db2.gz AAFNRHBDRCDBHE-DOMZBBRYSA-N 0 0 317.389 0.905 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2OCC[C@@H]2C)C1 ZINC000333052979 396916668 /nfs/dbraw/zinc/91/66/68/396916668.db2.gz HAFWIBWPBUWFRX-XDQVBPFNSA-N 0 0 310.394 0.650 10 0 DCAERN CNC(=O)[C@@]1(C)CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333194299 396919976 /nfs/dbraw/zinc/91/99/76/396919976.db2.gz SYSCWJMRHGUKCU-CZXHOFHRSA-N 0 0 300.424 0.963 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)C1CC1 ZINC000333650368 396929584 /nfs/dbraw/zinc/92/95/84/396929584.db2.gz KIOQLQVOFYZBOO-ATGSNQNLSA-N 0 0 311.426 0.914 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCn2ccnn2)c(C)c1 ZINC000611791250 396930717 /nfs/dbraw/zinc/93/07/17/396930717.db2.gz ZNRJOISRVAMKGT-UHFFFAOYSA-N 0 0 324.362 0.352 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000611862735 396940070 /nfs/dbraw/zinc/94/00/70/396940070.db2.gz PXTVKTGHDNWNEY-JTQLQIEISA-N 0 0 315.757 0.211 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2OCCC3)CCO1 ZINC000376645241 396957485 /nfs/dbraw/zinc/95/74/85/396957485.db2.gz TYUMWKGMELCCLR-LBPRGKRZSA-N 0 0 305.334 0.730 10 0 DCAERN CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1 ZINC000572250420 397038060 /nfs/dbraw/zinc/03/80/60/397038060.db2.gz SUQHNGCPCUWMJX-QJPTWQEYSA-N 0 0 301.408 0.996 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000618665763 397007172 /nfs/dbraw/zinc/00/71/72/397007172.db2.gz DPDPFFYBPYMLPC-QWRGUYRKSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncoc2C2CC2)CCN1S(C)(=O)=O ZINC000618674336 397008157 /nfs/dbraw/zinc/00/81/57/397008157.db2.gz HTTJOLPTDGIXET-SECBINFHSA-N 0 0 313.379 0.658 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)[nH]c1C ZINC000618756515 397022450 /nfs/dbraw/zinc/02/24/50/397022450.db2.gz HRDBLKNTLMVVKI-GHMZBOCLSA-N 0 0 309.366 0.818 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1coc(C2CC2)n1 ZINC000618754189 397023036 /nfs/dbraw/zinc/02/30/36/397023036.db2.gz JTSSCLXFUGFJRR-IUCAKERBSA-N 0 0 323.349 0.738 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000377116155 397031945 /nfs/dbraw/zinc/03/19/45/397031945.db2.gz UROUVRYLHOMNLV-BLLLJJGKSA-N 0 0 309.410 0.668 10 0 DCAERN CCOC(=O)c1cnc(C(=O)NCc2cn(C)nn2)c(Cl)c1 ZINC000611984912 396972737 /nfs/dbraw/zinc/97/27/37/396972737.db2.gz JLURFLLQJNBZLR-UHFFFAOYSA-N 0 0 323.740 0.970 10 0 DCAERN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)NCc2cn(C)nn2)C1 ZINC000618379248 396974367 /nfs/dbraw/zinc/97/43/67/396974367.db2.gz GQKCQMRXURLKSL-OAHLLOKOSA-N 0 0 323.397 0.936 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2nccn2c1 ZINC000597733769 397078585 /nfs/dbraw/zinc/07/85/85/397078585.db2.gz WRGZFHIJVJPVHO-UHFFFAOYSA-N 0 0 322.390 0.490 10 0 DCAERN CN1CCN(c2cc(N3CC[C@@](O)(C4CC4)C3)ncn2)CC1=O ZINC000377468219 397085417 /nfs/dbraw/zinc/08/54/17/397085417.db2.gz MUICIIKPKRKGIE-INIZCTEOSA-N 0 0 317.393 0.106 10 0 DCAERN CC(=O)[C@H](C)CCCCc1nc(-c2ncn(CC(N)=O)n2)no1 ZINC000350511627 397090966 /nfs/dbraw/zinc/09/09/66/397090966.db2.gz RCOMZURTACYRQM-SECBINFHSA-N 0 0 320.353 0.751 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC=C(C)CC1 ZINC000626267300 397124318 /nfs/dbraw/zinc/12/43/18/397124318.db2.gz RWNLFZTYJXBVRV-UHFFFAOYSA-N 0 0 309.410 0.975 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)NCCCC2CC2)c1C ZINC000619519216 397144296 /nfs/dbraw/zinc/14/42/96/397144296.db2.gz PTLGCJZWLIPTLQ-UHFFFAOYSA-N 0 0 322.365 0.609 10 0 DCAERN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CCCO ZINC000619685249 397175548 /nfs/dbraw/zinc/17/55/48/397175548.db2.gz DLZOGRNPYMJXTP-UHFFFAOYSA-N 0 0 324.333 0.261 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](n2cc(C)cn2)C1 ZINC000378110286 397196239 /nfs/dbraw/zinc/19/62/39/397196239.db2.gz GOMFPXURFRVIFS-STQMWFEESA-N 0 0 308.407 0.886 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000601628462 397197193 /nfs/dbraw/zinc/19/71/93/397197193.db2.gz ZWJTZERDLXHIPM-MPBGBICISA-N 0 0 300.424 0.757 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@]1(CO)CCOC1)CC2 ZINC000364551817 397219740 /nfs/dbraw/zinc/21/97/40/397219740.db2.gz OXWKNLJAPMTCKM-MEDUHNTESA-N 0 0 307.394 0.906 10 0 DCAERN CN1C(=O)CN(NC(=O)C[C@H]2CCOc3ccccc32)C1=O ZINC000378366072 397234327 /nfs/dbraw/zinc/23/43/27/397234327.db2.gz ADUZWEVTDMGDNE-SNVBAGLBSA-N 0 0 303.318 0.868 10 0 DCAERN NC(=O)NCc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000364724460 397238621 /nfs/dbraw/zinc/23/86/21/397238621.db2.gz XJYZDZHYVHDSSN-CQSZACIVSA-N 0 0 318.377 0.012 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1Cc2c[nH]nc2C1 ZINC000380456009 397269368 /nfs/dbraw/zinc/26/93/68/397269368.db2.gz ODOIZOVGJGJVHV-UHFFFAOYSA-N 0 0 313.360 0.962 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000380418048 397269586 /nfs/dbraw/zinc/26/95/86/397269586.db2.gz GYVWIHLIQJZQKY-QWHCGFSZSA-N 0 0 306.428 0.577 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCN2CCOCC2)no1 ZINC000574511166 397275423 /nfs/dbraw/zinc/27/54/23/397275423.db2.gz PJRRCVZRIYXSMY-UHFFFAOYSA-N 0 0 311.386 0.499 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N[C@](C)(CO)COC)nc1C ZINC000613534910 397276090 /nfs/dbraw/zinc/27/60/90/397276090.db2.gz XQKPHXDOKUVTBQ-OAHLLOKOSA-N 0 0 310.350 0.694 10 0 DCAERN CC[C@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)[C@H](C)O ZINC000386957791 397292215 /nfs/dbraw/zinc/29/22/15/397292215.db2.gz YOMBNZPVOTZVSK-CABZTGNLSA-N 0 0 300.380 0.484 10 0 DCAERN CN(C(=O)CN1CCOCC1=O)[C@H]1CCCc2c1cnn2C ZINC000365566234 397294445 /nfs/dbraw/zinc/29/44/45/397294445.db2.gz LLYDPQWEISQJOE-LBPRGKRZSA-N 0 0 306.366 0.115 10 0 DCAERN Cn1cc(Br)c(CNC[C@@H](O)Cn2cccn2)n1 ZINC000393317087 397307801 /nfs/dbraw/zinc/30/78/01/397307801.db2.gz WSBWHECVPSYDRD-SECBINFHSA-N 0 0 314.187 0.530 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1cocn1 ZINC000397749814 397313297 /nfs/dbraw/zinc/31/32/97/397313297.db2.gz DBNNUAPSRRQDTN-UHFFFAOYSA-N 0 0 300.296 0.053 10 0 DCAERN CC(=O)CCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC000621006035 397331573 /nfs/dbraw/zinc/33/15/73/397331573.db2.gz NDPBQKXJFPXXDQ-UHFFFAOYSA-N 0 0 302.327 0.459 10 0 DCAERN NC(=O)CN(Cc1ccccc1)C(=O)c1cn2cccnc2n1 ZINC000602170700 397332119 /nfs/dbraw/zinc/33/21/19/397332119.db2.gz JKMBRTUISWBKKU-UHFFFAOYSA-N 0 0 309.329 0.857 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407957176 397336039 /nfs/dbraw/zinc/33/60/39/397336039.db2.gz MPSWVUOMKNBKGG-UHFFFAOYSA-N 0 0 312.395 0.032 10 0 DCAERN C[C@@H]1CN(CCNC(=O)Cn2ncc3ccccc32)CCO1 ZINC000593194785 397336512 /nfs/dbraw/zinc/33/65/12/397336512.db2.gz ARTGAMRUVDHAMK-CYBMUJFWSA-N 0 0 302.378 0.873 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000577499830 397336700 /nfs/dbraw/zinc/33/67/00/397336700.db2.gz FNKAOXPNIWBWKG-NSHDSACASA-N 0 0 323.418 0.791 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(=O)N1C ZINC000407967161 397340420 /nfs/dbraw/zinc/34/04/20/397340420.db2.gz CFHVAPNOJLUXQV-SECBINFHSA-N 0 0 320.374 0.147 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000407968308 397340625 /nfs/dbraw/zinc/34/06/25/397340625.db2.gz SRLDKCZVOCZXFJ-SNVBAGLBSA-N 0 0 304.350 0.741 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000407967396 397340663 /nfs/dbraw/zinc/34/06/63/397340663.db2.gz QJEQKVJMAMLMJS-VXGBXAGGSA-N 0 0 313.423 0.425 10 0 DCAERN C[C@@H](CC(=O)N1CC(=O)N(C)[C@@H](C)C1)NC(=O)C1CCCC1 ZINC000407971924 397342457 /nfs/dbraw/zinc/34/24/57/397342457.db2.gz RJGZBUJBSKKNDA-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C)C1CCOCC1 ZINC000407996279 397343876 /nfs/dbraw/zinc/34/38/76/397343876.db2.gz CPGKGSGAGXJBFE-YPMHNXCESA-N 0 0 318.439 0.589 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000408023374 397344621 /nfs/dbraw/zinc/34/46/21/397344621.db2.gz RAVGHPWZLWJVSX-VXGBXAGGSA-N 0 0 306.428 0.889 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCS1(=O)=O ZINC000408234451 397350545 /nfs/dbraw/zinc/35/05/45/397350545.db2.gz FOVXXJIZMOFNQF-GXSJLCMTSA-N 0 0 312.395 0.096 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@H](O)c1ccccc1 ZINC000365849925 397324389 /nfs/dbraw/zinc/32/43/89/397324389.db2.gz DKKCJNBYVTYXLH-HUUCEWRRSA-N 0 0 318.373 0.616 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000404127074 397326919 /nfs/dbraw/zinc/32/69/19/397326919.db2.gz VQWZOWUUBORTLN-GRYCIOLGSA-N 0 0 304.412 0.752 10 0 DCAERN COC(=O)C1CCN(C(=O)CN2CCO[C@@H](C3CC3)C2)CC1 ZINC000614408616 397432319 /nfs/dbraw/zinc/43/23/19/397432319.db2.gz SBZDBJZVAGFAIW-CQSZACIVSA-N 0 0 310.394 0.509 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1=O ZINC000370178799 397452182 /nfs/dbraw/zinc/45/21/82/397452182.db2.gz ITDZFHHVFJHFGH-JHJVBQTASA-N 0 0 305.382 0.897 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cn2)OCCO3)[C@@H](C)C1 ZINC000578128151 397394183 /nfs/dbraw/zinc/39/41/83/397394183.db2.gz MAKFOSTZTSIJNJ-JTQLQIEISA-N 0 0 305.334 0.546 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)C1 ZINC000621580527 397401528 /nfs/dbraw/zinc/40/15/28/397401528.db2.gz GIVHRWAIOXZDDI-JHJVBQTASA-N 0 0 310.398 0.341 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccsc1 ZINC000487097753 397466321 /nfs/dbraw/zinc/46/63/21/397466321.db2.gz PTUMRZHPDNZRNZ-ZJUUUORDSA-N 0 0 312.391 0.863 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC000487129182 397466947 /nfs/dbraw/zinc/46/69/47/397466947.db2.gz NUYBFHUBKQKSCI-BDAKNGLRSA-N 0 0 322.365 0.085 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)sn1 ZINC000487137263 397467099 /nfs/dbraw/zinc/46/70/99/397467099.db2.gz PQFJLPZHOKGQDU-DTWKUNHWSA-N 0 0 313.379 0.638 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000599506505 397461513 /nfs/dbraw/zinc/46/15/13/397461513.db2.gz DULROKGZMGKVFS-AAEUAGOBSA-N 0 0 304.412 0.991 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N(CC)C(C)C ZINC000487344587 397471109 /nfs/dbraw/zinc/47/11/09/397471109.db2.gz WOZYZYXHMIMYLE-WDEREUQCSA-N 0 0 301.387 0.883 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC000487146147 397468695 /nfs/dbraw/zinc/46/86/95/397468695.db2.gz ATKUTMJYHCEXNH-GHMZBOCLSA-N 0 0 324.352 0.941 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)Nc1nc(C)cs1 ZINC000370410590 397481030 /nfs/dbraw/zinc/48/10/30/397481030.db2.gz PWKUABLSAGSHPD-KOLCDFICSA-N 0 0 313.379 0.388 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)[C@@H](O)CCc2ccccc2)C1 ZINC000578778055 397483622 /nfs/dbraw/zinc/48/36/22/397483622.db2.gz GFDGAIHQKZHGET-HOTGVXAUSA-N 0 0 304.390 0.965 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000614588885 397476368 /nfs/dbraw/zinc/47/63/68/397476368.db2.gz LRSCJQSLOYGGEB-NFAWXSAZSA-N 0 0 301.383 0.570 10 0 DCAERN Cc1nc2ccccn2c1CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000578836822 397489890 /nfs/dbraw/zinc/48/98/90/397489890.db2.gz GDYGHDAJKVUONP-MRXNPFEDSA-N 0 0 313.361 0.817 10 0 DCAERN O=C(CN1CCC[C@](O)(Cn2ccnn2)C1)NCC1CCC1 ZINC000578796987 397486210 /nfs/dbraw/zinc/48/62/10/397486210.db2.gz FTCVIUOBKUMRNR-OAHLLOKOSA-N 0 0 307.398 0.021 10 0 DCAERN CC(=O)N1CCN(CCNc2nccc3c(=O)[nH]cnc32)CC1 ZINC000578786510 397486500 /nfs/dbraw/zinc/48/65/00/397486500.db2.gz MEHPEFXLBJBBHW-UHFFFAOYSA-N 0 0 316.365 0.306 10 0 DCAERN NC(=O)c1cc(NCc2cccc(N3CCOCC3)n2)ccn1 ZINC000579662432 397586494 /nfs/dbraw/zinc/58/64/94/397586494.db2.gz SRVKEKSNRCBASY-UHFFFAOYSA-N 0 0 313.361 0.446 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ccc2nccnc2n1 ZINC000579067820 397518962 /nfs/dbraw/zinc/51/89/62/397518962.db2.gz BLCPDCLKANOFBC-ZJUUUORDSA-N 0 0 317.349 0.267 10 0 DCAERN Cc1cncc(/C=C/C(=O)N2CCCN(CC(N)=O)CC2)c1 ZINC000370907903 397523539 /nfs/dbraw/zinc/52/35/39/397523539.db2.gz UEXZQZSENSOWBC-ONEGZZNKSA-N 0 0 302.378 0.423 10 0 DCAERN CO[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(O)cc1 ZINC000579974255 397602370 /nfs/dbraw/zinc/60/23/70/397602370.db2.gz DHBLBMQXKLXSRM-HNNXBMFYSA-N 0 0 304.346 0.913 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000608246028 397722978 /nfs/dbraw/zinc/72/29/78/397722978.db2.gz XNOOSEZZHIBEFI-MGPQQGTHSA-N 0 0 308.382 0.547 10 0 DCAERN CCN(C(=O)NCCCN1CCCS1(=O)=O)C1CCC1 ZINC000606666376 397685103 /nfs/dbraw/zinc/68/51/03/397685103.db2.gz RAKUXGZXKCGFND-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN C[C@@H]1C[C@H](C)CN1C(=O)NCCCN1CCCS1(=O)=O ZINC000607179336 397698517 /nfs/dbraw/zinc/69/85/17/397698517.db2.gz WGVCARUFYCGIIT-NWDGAFQWSA-N 0 0 303.428 0.852 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000607581514 397703387 /nfs/dbraw/zinc/70/33/87/397703387.db2.gz TYADLGKPNNFHKX-LBPRGKRZSA-N 0 0 307.398 0.420 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2csc(-c3cnn(C)c3)n2)CCO1 ZINC000609133667 397762226 /nfs/dbraw/zinc/76/22/26/397762226.db2.gz NIBVETSAGSGMOL-LBPRGKRZSA-N 0 0 322.390 0.917 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCCN1C(=O)CCC1=O ZINC000609890110 397796209 /nfs/dbraw/zinc/79/62/09/397796209.db2.gz BCRAHJXTYAHFJY-LBPRGKRZSA-N 0 0 324.377 0.858 10 0 DCAERN CCn1nc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)ccc1=O ZINC000609890143 397796372 /nfs/dbraw/zinc/79/63/72/397796372.db2.gz DCUJVXXJTPHVDT-LBPRGKRZSA-N 0 0 307.350 0.819 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000610027028 397801458 /nfs/dbraw/zinc/80/14/58/397801458.db2.gz XEUVVXJGEJTQLA-NSHDSACASA-N 0 0 304.306 0.740 10 0 DCAERN COC1(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)CCOCC1 ZINC000154900822 545842270 /nfs/dbraw/zinc/84/22/70/545842270.db2.gz XNYHBUCYWFQJNU-CYBMUJFWSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@H](CNS(=O)(=O)CC[C@@H]1CCCO1)N1CCOCC1 ZINC000157089631 545849513 /nfs/dbraw/zinc/84/95/13/545849513.db2.gz KGGSCUXUKYUTJS-OLZOCXBDSA-N 0 0 306.428 0.196 10 0 DCAERN CCCC(=O)NCC(=O)NCc1nncn1-c1ccccc1 ZINC000045912337 158000444 /nfs/dbraw/zinc/00/04/44/158000444.db2.gz DEMMQYFYCYOPSN-UHFFFAOYSA-N 0 0 301.350 0.800 10 0 DCAERN NC(=O)c1cccc(C(=O)NCc2cccnc2-n2cncn2)c1 ZINC000047122250 158002730 /nfs/dbraw/zinc/00/27/30/158002730.db2.gz VYLHVZOOKIWENH-UHFFFAOYSA-N 0 0 322.328 0.691 10 0 DCAERN C[C@@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(=O)N(C)C ZINC000046943263 158003368 /nfs/dbraw/zinc/00/33/68/158003368.db2.gz OVCKGEZNPKEWEY-GFCCVEGCSA-N 0 0 319.409 0.826 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000053667922 158018298 /nfs/dbraw/zinc/01/82/98/158018298.db2.gz FBZQOWIPSDOKIH-KWQFWETISA-N 0 0 314.411 0.311 10 0 DCAERN CC(C)(C)c1n[nH]c(SC[C@H](O)CN2CCOCC2)n1 ZINC000054866657 158022072 /nfs/dbraw/zinc/02/20/72/158022072.db2.gz LAIAUALVOIXWTL-SNVBAGLBSA-N 0 0 300.428 0.887 10 0 DCAERN CCOCCOCC(=O)NCCNC(=O)c1cccs1 ZINC000056983294 158024381 /nfs/dbraw/zinc/02/43/81/158024381.db2.gz YXUYOGGFLURDLA-UHFFFAOYSA-N 0 0 300.380 0.647 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000058503213 158026350 /nfs/dbraw/zinc/02/63/50/158026350.db2.gz XZRRTTGIAQXFAT-UHFFFAOYSA-N 0 0 315.377 0.914 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000058394800 158027240 /nfs/dbraw/zinc/02/72/40/158027240.db2.gz JECOZFXCKIEURY-ZDUSSCGKSA-N 0 0 309.410 0.747 10 0 DCAERN COc1ccc(N2C[C@H](C(=O)N[C@H](C)CO)CC2=O)cc1OC ZINC000062159495 158030209 /nfs/dbraw/zinc/03/02/09/158030209.db2.gz VMZTWMZJXLXYBL-GHMZBOCLSA-N 0 0 322.361 0.554 10 0 DCAERN Cc1ccccc1CCNC(=O)[C@H](C)N1CCNC(=O)CC1 ZINC000065955259 158034091 /nfs/dbraw/zinc/03/40/91/158034091.db2.gz ZCPRNRPZMDKCIL-AWEZNQCLSA-N 0 0 303.406 0.864 10 0 DCAERN CCCOc1ccc(CNC(=O)CN2CCNC(=O)CC2)cc1 ZINC000065954570 158034333 /nfs/dbraw/zinc/03/43/33/158034333.db2.gz PGWXFLXXRJVZLW-UHFFFAOYSA-N 0 0 319.405 0.914 10 0 DCAERN COCCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858692 158037911 /nfs/dbraw/zinc/03/79/11/158037911.db2.gz GWRAWWNMLADSKR-UHFFFAOYSA-N 0 0 311.426 0.426 10 0 DCAERN O=C(C(=O)N1CCNC(=O)CC1)c1cnn(-c2ccccc2)c1 ZINC000072784586 158051877 /nfs/dbraw/zinc/05/18/77/158051877.db2.gz IQCTVTFIWYANBJ-UHFFFAOYSA-N 0 0 312.329 0.404 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)N(C)C ZINC000072781227 158051884 /nfs/dbraw/zinc/05/18/84/158051884.db2.gz INDLYGBPGDMPAZ-LLVKDONJSA-N 0 0 306.366 0.743 10 0 DCAERN CC(=O)NCCNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000073443995 158055523 /nfs/dbraw/zinc/05/55/23/158055523.db2.gz PAZDFYIMXUVCSA-CQSZACIVSA-N 0 0 312.414 0.019 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC000074395811 158059802 /nfs/dbraw/zinc/05/98/02/158059802.db2.gz VWVHGKLWWYUFBK-CYBMUJFWSA-N 0 0 323.397 0.449 10 0 DCAERN CCC(CC)C(=O)N1CCC(NC(=O)C2=NNC(=O)CC2)CC1 ZINC000075057750 158060869 /nfs/dbraw/zinc/06/08/69/158060869.db2.gz XDYHIEDTVFGQKK-UHFFFAOYSA-N 0 0 322.409 0.796 10 0 DCAERN C[C@@H](CNC(=O)Cn1c2ccccc2[nH]c1=O)N1CCOCC1 ZINC000076942851 158066821 /nfs/dbraw/zinc/06/68/21/158066821.db2.gz MATKJRXZLSSXMJ-LBPRGKRZSA-N 0 0 318.377 0.167 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000077763221 158070392 /nfs/dbraw/zinc/07/03/92/158070392.db2.gz XXQWFJYKIITJPJ-NEPJUHHUSA-N 0 0 307.398 0.762 10 0 DCAERN c1cc(N2CCCC[C@H]2CN2CCOCC2)nn2nnnc12 ZINC000078619204 158073766 /nfs/dbraw/zinc/07/37/66/158073766.db2.gz HCITZCDTHHHRQP-LBPRGKRZSA-N 0 0 303.370 0.210 10 0 DCAERN CCCCN(C)S(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000079602159 158078788 /nfs/dbraw/zinc/07/87/88/158078788.db2.gz JZKMWGXMBZDWCW-LBPRGKRZSA-N 0 0 305.444 0.954 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)OC ZINC000080713090 158082180 /nfs/dbraw/zinc/08/21/80/158082180.db2.gz GYHFWXIPZPKHGE-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccs2)C[C@H](C)O1 ZINC000081187735 158082617 /nfs/dbraw/zinc/08/26/17/158082617.db2.gz VJHGULYTNSTUJV-AOOOYVTPSA-N 0 0 305.425 0.929 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000083068777 158087133 /nfs/dbraw/zinc/08/71/33/158087133.db2.gz PWBXQIPORDFBRC-CYBMUJFWSA-N 0 0 314.382 0.908 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)[C@H](C)COC ZINC000088787128 158095698 /nfs/dbraw/zinc/09/56/98/158095698.db2.gz NASMHUBRVYPDOR-NXEZZACHSA-N 0 0 302.400 0.630 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N2CC(O)(C3CC3)C2)c1 ZINC000089666396 158098106 /nfs/dbraw/zinc/09/81/06/158098106.db2.gz OHBRWJXOTSXDMG-UHFFFAOYSA-N 0 0 311.359 0.619 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1 ZINC000089666461 158098660 /nfs/dbraw/zinc/09/86/60/158098660.db2.gz CRYXVSMWAAMQQL-UHFFFAOYSA-N 0 0 310.375 0.192 10 0 DCAERN C[C@@](O)(CO)CNC(=O)COc1cccc(Br)c1 ZINC000090285378 158103399 /nfs/dbraw/zinc/10/33/99/158103399.db2.gz DTWJHONHSKACLO-LBPRGKRZSA-N 0 0 318.167 0.687 10 0 DCAERN CC(C)CO[C@@H](C)c1noc(CN2CCOC[C@@H]2C(N)=O)n1 ZINC000092230042 158111829 /nfs/dbraw/zinc/11/18/29/158111829.db2.gz NSTDMJWFJQYLFJ-WDEREUQCSA-N 0 0 312.370 0.489 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCOCC ZINC000093031271 158116800 /nfs/dbraw/zinc/11/68/00/158116800.db2.gz FZRUHTITTNRARD-LBPRGKRZSA-N 0 0 306.428 0.686 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCc2cccnc2)c1 ZINC000096996979 158124449 /nfs/dbraw/zinc/12/44/49/158124449.db2.gz KEJFIRFHDOASLV-UHFFFAOYSA-N 0 0 305.359 0.702 10 0 DCAERN CCOCCOCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815205 158130259 /nfs/dbraw/zinc/13/02/59/158130259.db2.gz SLJXFEZJZAMVJT-UHFFFAOYSA-N 0 0 308.382 0.933 10 0 DCAERN C[C@H](C(=O)N(C)C)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917135 158132538 /nfs/dbraw/zinc/13/25/38/158132538.db2.gz VYIZLQDJMQZHMZ-GFCCVEGCSA-N 0 0 321.425 0.931 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CCNS(C)(=O)=O)C2)no1 ZINC000107300350 158135647 /nfs/dbraw/zinc/13/56/47/158135647.db2.gz JSKCTDUBOGDFQL-LLVKDONJSA-N 0 0 302.400 0.182 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000109095667 158136482 /nfs/dbraw/zinc/13/64/82/158136482.db2.gz CZLOZOMTLTWJSF-BREBYQMCSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000109264577 158136527 /nfs/dbraw/zinc/13/65/27/158136527.db2.gz VGAQXMLOCTWEKF-IUODEOHRSA-N 0 0 306.362 0.713 10 0 DCAERN CCn1cc(CN2CCCN(S(=O)(=O)CC)CC2)cn1 ZINC000112707528 158143835 /nfs/dbraw/zinc/14/38/35/158143835.db2.gz TZSMANVMVHXRHP-UHFFFAOYSA-N 0 0 300.428 0.760 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650272 158144270 /nfs/dbraw/zinc/14/42/70/158144270.db2.gz FUYJIJYLZOYBSS-LLVKDONJSA-N 0 0 314.411 0.314 10 0 DCAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112652698 158144334 /nfs/dbraw/zinc/14/43/34/158144334.db2.gz HRWPKNWXMATHMB-YPMHNXCESA-N 0 0 314.345 0.989 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N[C@@H](C)CS(=O)(=O)CC)C1 ZINC000113600806 158149255 /nfs/dbraw/zinc/14/92/55/158149255.db2.gz FDURLZMLQWYKKW-NWDGAFQWSA-N 0 0 305.444 0.593 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000114411437 158152711 /nfs/dbraw/zinc/15/27/11/158152711.db2.gz WDGKNIUXICDLME-NXEZZACHSA-N 0 0 318.333 0.065 10 0 DCAERN O=C(Cc1cn2ccccc2n1)NC[C@H]1CN(C2CC2)CCO1 ZINC000114854589 158157631 /nfs/dbraw/zinc/15/76/31/158157631.db2.gz ATUKEDBBUSBVBK-HNNXBMFYSA-N 0 0 314.389 0.856 10 0 DCAERN CCCNC(=O)CCCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114858586 158157786 /nfs/dbraw/zinc/15/77/86/158157786.db2.gz OPORTNWSFGSTFY-AWEZNQCLSA-N 0 0 311.426 0.662 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)CC2 ZINC000114869952 158158908 /nfs/dbraw/zinc/15/89/08/158158908.db2.gz ZJLNKONJEBHWKN-GHMZBOCLSA-N 0 0 305.382 0.140 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)CC2 ZINC000114867266 158159012 /nfs/dbraw/zinc/15/90/12/158159012.db2.gz NCVIXCOLVNFEIH-NSHDSACASA-N 0 0 301.350 0.284 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994713 158168663 /nfs/dbraw/zinc/16/86/63/158168663.db2.gz ULOFMAMYBARZJD-NEPJUHHUSA-N 0 0 303.428 0.011 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC(=O)N1CCOCC1 ZINC000117745789 158173491 /nfs/dbraw/zinc/17/34/91/158173491.db2.gz RHCIZPVWAUKTCY-LRDDRELGSA-N 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/nfs/dbraw/zinc/33/53/89/158335389.db2.gz YLRIWXXIUJQBEP-JSGCOSHPSA-N 0 0 304.346 0.818 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135277808 158335471 /nfs/dbraw/zinc/33/54/71/158335471.db2.gz ZFZYWHWFQOQBLV-ZDUSSCGKSA-N 0 0 319.409 0.868 10 0 DCAERN CNC(=O)C1(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000135480923 158337475 /nfs/dbraw/zinc/33/74/75/158337475.db2.gz HIQKDENNQDIHRH-CYBMUJFWSA-N 0 0 304.346 0.818 10 0 DCAERN CN1CCN([C@@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070318 158341503 /nfs/dbraw/zinc/34/15/03/158341503.db2.gz SWWQHLHPAQLYCZ-MRXNPFEDSA-N 0 0 308.470 0.711 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCS1(=O)=O ZINC000163389722 158362278 /nfs/dbraw/zinc/36/22/78/158362278.db2.gz XWDXNOAKHVBHOG-SWLSCSKDSA-N 0 0 311.403 0.930 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1C ZINC000166712026 158367525 /nfs/dbraw/zinc/36/75/25/158367525.db2.gz SZCCYTSBYKWLRQ-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCN(c2cccnn2)CC1 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O=C(NCc1cccnc1-n1cccn1)N1CCNC(=O)CC1 ZINC000171618189 158384324 /nfs/dbraw/zinc/38/43/24/158384324.db2.gz CSMWEBRETQYLQY-UHFFFAOYSA-N 0 0 314.349 0.299 10 0 DCAERN CN(CC(=O)N1CCC[C@@H](c2nccs2)C1)S(C)(=O)=O ZINC000171724187 158386708 /nfs/dbraw/zinc/38/67/08/158386708.db2.gz DZPJOZOFGKUIHV-SNVBAGLBSA-N 0 0 317.436 0.741 10 0 DCAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](n2cncn2)C1 ZINC000171702076 158386745 /nfs/dbraw/zinc/38/67/45/158386745.db2.gz SEJRILINPRIFCR-QWRGUYRKSA-N 0 0 317.401 0.509 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000171775988 158387574 /nfs/dbraw/zinc/38/75/74/158387574.db2.gz LLMALFGOZQBTHG-JQWIXIFHSA-N 0 0 312.391 0.974 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000171958734 158388273 /nfs/dbraw/zinc/38/82/73/158388273.db2.gz WSSPJMXXKTYIHD-GFCCVEGCSA-N 0 0 300.355 0.866 10 0 DCAERN C[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(N)=O ZINC000171950239 158388368 /nfs/dbraw/zinc/38/83/68/158388368.db2.gz BVCBQXFQGJJTDB-RXMQYKEDSA-N 0 0 311.139 0.929 10 0 DCAERN CNC(=O)CCN(C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000171953781 158388596 /nfs/dbraw/zinc/38/85/96/158388596.db2.gz UGKINBDROFILOS-UHFFFAOYSA-N 0 0 307.379 0.752 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(-n2cncn2)c1 ZINC000172223042 158391942 /nfs/dbraw/zinc/39/19/42/158391942.db2.gz YCYWWVZSWIMBOB-SNVBAGLBSA-N 0 0 308.363 0.430 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)C1=O ZINC000172234995 158391962 /nfs/dbraw/zinc/39/19/62/158391962.db2.gz MLTBQERBVAOKFV-KKUMJFAQSA-N 0 0 317.389 0.953 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC1CCC(O)CC1)CC2 ZINC000172297823 158393294 /nfs/dbraw/zinc/39/32/94/158393294.db2.gz GEMBIHKYVZMPLA-CXQJBGSLSA-N 0 0 307.398 0.758 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172606089 158396555 /nfs/dbraw/zinc/39/65/55/158396555.db2.gz APIKRFKKMOGRJO-NSHDSACASA-N 0 0 322.413 0.494 10 0 DCAERN O=C(CCOCC(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000172747591 158398897 /nfs/dbraw/zinc/39/88/97/158398897.db2.gz 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/nfs/dbraw/zinc/47/11/22/158471122.db2.gz IAUUGQDJENLVNC-GJZGRUSLSA-N 0 0 320.389 0.805 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c1 ZINC000181444854 158486328 /nfs/dbraw/zinc/48/63/28/158486328.db2.gz ANKMMSAWZSDYKF-CQSZACIVSA-N 0 0 301.350 0.738 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)Cn1ncn(C)c1=O ZINC000182214063 158490825 /nfs/dbraw/zinc/49/08/25/158490825.db2.gz KPDIXZNIZWLYED-GFCCVEGCSA-N 0 0 304.350 0.303 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183742163 158502793 /nfs/dbraw/zinc/50/27/93/158502793.db2.gz QJMSLQIYYQIMDX-SNVBAGLBSA-N 0 0 324.356 0.198 10 0 DCAERN CNC(=O)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000184524875 158508861 /nfs/dbraw/zinc/50/88/61/158508861.db2.gz ZBGOUJNGBRHQFS-GFCCVEGCSA-N 0 0 306.362 0.960 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184624424 158510282 /nfs/dbraw/zinc/51/02/82/158510282.db2.gz YIBPNCQTCDDCLE-GFCCVEGCSA-N 0 0 310.398 0.794 10 0 DCAERN COCCS(=O)(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000185159998 158514950 /nfs/dbraw/zinc/51/49/50/158514950.db2.gz OTOWQGHKTZBMMW-UHFFFAOYSA-N 0 0 314.407 0.778 10 0 DCAERN CNC(=O)CC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000185441762 158520170 /nfs/dbraw/zinc/52/01/70/158520170.db2.gz JAAPEBZKOGOCOY-ZIAGYGMSSA-N 0 0 318.373 0.928 10 0 DCAERN O=C(NC1CN(C(=O)NCCCN2CCCC2=O)C1)C1CCC1 ZINC000185956631 158526152 /nfs/dbraw/zinc/52/61/52/158526152.db2.gz ACGRTLSUTCYSCW-UHFFFAOYSA-N 0 0 322.409 0.309 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186240807 158528610 /nfs/dbraw/zinc/52/86/10/158528610.db2.gz UPVHVRSCCODHBT-GFCCVEGCSA-N 0 0 321.402 0.934 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000186240501 158528641 /nfs/dbraw/zinc/52/86/41/158528641.db2.gz DGYXPVBJOFDPCT-ZDUSSCGKSA-N 0 0 303.362 0.602 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000186349498 158529894 /nfs/dbraw/zinc/52/98/94/158529894.db2.gz VQUJKFQANODUAH-SNVBAGLBSA-N 0 0 304.372 0.338 10 0 DCAERN CC(C)OCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000186582075 158533599 /nfs/dbraw/zinc/53/35/99/158533599.db2.gz NVJOTONUPKTZSH-UHFFFAOYSA-N 0 0 317.411 0.430 10 0 DCAERN COCCCNC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189703747 158554479 /nfs/dbraw/zinc/55/44/79/158554479.db2.gz WHBCKKAHFLTGBB-UHFFFAOYSA-N 0 0 321.425 0.562 10 0 DCAERN COCCOCCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189739349 158555231 /nfs/dbraw/zinc/55/52/31/158555231.db2.gz DBUVGLRETWYXKD-UHFFFAOYSA-N 0 0 311.386 0.213 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1C ZINC000190666862 158561922 /nfs/dbraw/zinc/56/19/22/158561922.db2.gz AJRVTXXYUYEVTR-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN COCCN1CCCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1=O ZINC000190772891 158563272 /nfs/dbraw/zinc/56/32/72/158563272.db2.gz FSSWSAKDDKEOFQ-LBPRGKRZSA-N 0 0 324.381 0.491 10 0 DCAERN O=C(CN(CCO)CC(F)F)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193398194 158583676 /nfs/dbraw/zinc/58/36/76/158583676.db2.gz JBYPLMUAOVENMK-VXGBXAGGSA-N 0 0 306.353 0.716 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cncn3)CC2)C1 ZINC000195142437 158605179 /nfs/dbraw/zinc/60/51/79/158605179.db2.gz LULXGPZKRYUBLY-CYBMUJFWSA-N 0 0 305.382 0.700 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000195492616 158612440 /nfs/dbraw/zinc/61/24/40/158612440.db2.gz YSPYHOQYPPQKHW-CHWSQXEVSA-N 0 0 309.410 0.620 10 0 DCAERN C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)CCCC(F)(F)F ZINC000213787022 158613234 /nfs/dbraw/zinc/61/32/34/158613234.db2.gz JQPOBAPFZHQUSH-BDAKNGLRSA-N 0 0 305.318 0.740 10 0 DCAERN CC1(C)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCO[C@H]21 ZINC000247230169 158680148 /nfs/dbraw/zinc/68/01/48/158680148.db2.gz OTMTYTODTBVAAH-YRRQLQLVSA-N 0 0 301.408 0.741 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000247236704 158680508 /nfs/dbraw/zinc/68/05/08/158680508.db2.gz XJYPRHWRURAWHW-MELADBBJSA-N 0 0 312.410 0.803 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000247373255 158681311 /nfs/dbraw/zinc/68/13/11/158681311.db2.gz UZPGFXAGCXTMSC-MGPQQGTHSA-N 0 0 307.398 0.599 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@H](O)c1ccc(F)cc1Cl ZINC000248580425 158693119 /nfs/dbraw/zinc/69/31/19/158693119.db2.gz VPLQIDKPUUSSSJ-RYUDHWBXSA-N 0 0 302.733 0.699 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000251928333 158713883 /nfs/dbraw/zinc/71/38/83/158713883.db2.gz SWQAIBRKVCDPRT-BFHYXJOUSA-N 0 0 323.418 0.563 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C[C@H]1O ZINC000305772387 158992798 /nfs/dbraw/zinc/99/27/98/158992798.db2.gz STBJAUUSVISXEM-MBNYWOFBSA-N 0 0 306.362 0.857 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000328648226 159016675 /nfs/dbraw/zinc/01/66/75/159016675.db2.gz AFTWNAACRPESPM-CYBMUJFWSA-N 0 0 314.393 0.788 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN[C@H](c3cccnc3)C2)C1 ZINC000328659133 159017632 /nfs/dbraw/zinc/01/76/32/159017632.db2.gz SEJCNHJDBNWOCO-HOTGVXAUSA-N 0 0 316.405 0.813 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328676820 159020688 /nfs/dbraw/zinc/02/06/88/159020688.db2.gz RWZXTELOHSZWBP-VXGBXAGGSA-N 0 0 311.382 0.327 10 0 DCAERN Cc1cc(COCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)on1 ZINC000328731414 159025070 /nfs/dbraw/zinc/02/50/70/159025070.db2.gz INKLRWVEFCFARX-JTQLQIEISA-N 0 0 302.352 0.145 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328754232 159026699 /nfs/dbraw/zinc/02/66/99/159026699.db2.gz DSOIOTFFKDTOCW-WDEREUQCSA-N 0 0 317.411 0.283 10 0 DCAERN O=C(N1CCSCC1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000328839850 159032905 /nfs/dbraw/zinc/03/29/05/159032905.db2.gz NYQMAZGDUZNIOK-GFCCVEGCSA-N 0 0 311.411 0.576 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@H]21 ZINC000328864500 159036335 /nfs/dbraw/zinc/03/63/35/159036335.db2.gz GCVBOBYMEZVIPW-CHWSQXEVSA-N 0 0 304.346 0.960 10 0 DCAERN O=S(=O)(C1COC1)N(Cc1ccccc1)CC1(CO)CC1 ZINC000328887070 159037855 /nfs/dbraw/zinc/03/78/55/159037855.db2.gz PDTYQQSLXOPSHS-UHFFFAOYSA-N 0 0 311.403 0.990 10 0 DCAERN CCc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905137 159040167 /nfs/dbraw/zinc/04/01/67/159040167.db2.gz JWDKSDLEOOKJLN-KBPBESRZSA-N 0 0 305.378 0.895 10 0 DCAERN CN1CCO[C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C[C@H]21 ZINC000328926894 159042813 /nfs/dbraw/zinc/04/28/13/159042813.db2.gz WSFRUBCHISBPFZ-NXEZZACHSA-N 0 0 320.319 0.140 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986232 159049772 /nfs/dbraw/zinc/04/97/72/159049772.db2.gz ZWXNEVGMIUMFTC-KGLIPLIRSA-N 0 0 323.437 0.614 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccnc(C2CC2)n1 ZINC000329143758 159066535 /nfs/dbraw/zinc/06/65/35/159066535.db2.gz VTZISTNFRYNBBJ-NWDGAFQWSA-N 0 0 300.322 0.315 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000329157143 159068572 /nfs/dbraw/zinc/06/85/72/159068572.db2.gz CHMPNRGNRNEQPU-WMZOPIPTSA-N 0 0 318.417 0.913 10 0 DCAERN CN(Cc1nnnn1C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000329159023 159068992 /nfs/dbraw/zinc/06/89/92/159068992.db2.gz XHVQDLOTQRXPBC-LBPRGKRZSA-N 0 0 322.438 0.777 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000329241515 159075547 /nfs/dbraw/zinc/07/55/47/159075547.db2.gz NQXNXUXULRYSSP-CYBMUJFWSA-N 0 0 314.411 0.671 10 0 DCAERN O=C(CNC(=O)c1ccc2c(n1)CCCC2)N1CCOCC1 ZINC000329260434 159077311 /nfs/dbraw/zinc/07/73/11/159077311.db2.gz FREGAPNHGKJLDF-UHFFFAOYSA-N 0 0 303.362 0.549 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2 ZINC000329285356 159079419 /nfs/dbraw/zinc/07/94/19/159079419.db2.gz LSLKJLCIIMRCMZ-MNOVXSKESA-N 0 0 313.427 0.852 10 0 DCAERN CN(C(=O)CS(=O)(=O)C1CCCC1)[C@@H]1CN2CCC1CC2 ZINC000329434252 159092737 /nfs/dbraw/zinc/09/27/37/159092737.db2.gz IUYPMKXGNHYLGQ-CQSZACIVSA-N 0 0 314.451 0.896 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329444542 159093034 /nfs/dbraw/zinc/09/30/34/159093034.db2.gz NOWCINRJRZFRKW-GHMZBOCLSA-N 0 0 317.411 0.413 10 0 DCAERN O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329443992 159093713 /nfs/dbraw/zinc/09/37/13/159093713.db2.gz BALRRTQZSBUIDA-LLVKDONJSA-N 0 0 302.338 0.419 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000329453588 159094900 /nfs/dbraw/zinc/09/49/00/159094900.db2.gz NQIYQDKLWXXKQD-GHMZBOCLSA-N 0 0 311.407 0.672 10 0 DCAERN C[C@@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCS1(=O)=O ZINC000329469139 159095612 /nfs/dbraw/zinc/09/56/12/159095612.db2.gz XHFFWBPUFXSYHK-VXGBXAGGSA-N 0 0 321.464 0.934 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000329594223 159105773 /nfs/dbraw/zinc/10/57/73/159105773.db2.gz ONFYPUALNVIRKN-JHJVBQTASA-N 0 0 306.428 0.194 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)[nH]1 ZINC000329618876 159107171 /nfs/dbraw/zinc/10/71/71/159107171.db2.gz GICLTDQSJSCJDE-SNVBAGLBSA-N 0 0 315.399 0.081 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCOC4)CCO2)n1 ZINC000329623102 159107265 /nfs/dbraw/zinc/10/72/65/159107265.db2.gz HLLGLJGUZPMYKX-OFQRWUPVSA-N 0 0 320.393 0.549 10 0 DCAERN CN1CCOC[C@H]1c1nc(Cc2nnc3n2CCCCC3)no1 ZINC000329693056 159113109 /nfs/dbraw/zinc/11/31/09/159113109.db2.gz AVGCXXFVHBOMJE-NSHDSACASA-N 0 0 318.381 0.981 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H](c3nccs3)C2)CC1=O ZINC000329722854 159113958 /nfs/dbraw/zinc/11/39/58/159113958.db2.gz NMWINMGVSTZMME-GFCCVEGCSA-N 0 0 322.434 0.623 10 0 DCAERN O=C(c1cnn2ccncc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000330011781 159135413 /nfs/dbraw/zinc/13/54/13/159135413.db2.gz JMNHBXOHDNJSJP-GFCCVEGCSA-N 0 0 301.350 0.276 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCCO[C@@H]3C)CCO2)n1 ZINC000330054940 159138648 /nfs/dbraw/zinc/13/86/48/159138648.db2.gz SVCRFAOSLXYFMX-UGFHNGPFSA-N 0 0 322.409 0.937 10 0 DCAERN C[C@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)N1CCOCC1 ZINC000330073043 159139655 /nfs/dbraw/zinc/13/96/55/159139655.db2.gz ZNEHFMROIPAXCY-CJNGLKHVSA-N 0 0 312.410 0.504 10 0 DCAERN C[C@@H]1N(S(=O)(=O)c2cnnn2C)CCC12CCOCC2 ZINC000330079748 159140041 /nfs/dbraw/zinc/14/00/41/159140041.db2.gz ONXDZTQOBMIKHC-JTQLQIEISA-N 0 0 300.384 0.395 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000330130195 159144175 /nfs/dbraw/zinc/14/41/75/159144175.db2.gz FFHMHPXXBRBEJG-AWEZNQCLSA-N 0 0 317.455 0.260 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000330165565 159147054 /nfs/dbraw/zinc/14/70/54/159147054.db2.gz UQGRPOJBCLJJQJ-WDEREUQCSA-N 0 0 310.383 0.474 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCc2cncnc2C1 ZINC000330202481 159149368 /nfs/dbraw/zinc/14/93/68/159149368.db2.gz ZIZBRINDINHIDR-UHFFFAOYSA-N 0 0 323.360 0.903 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000330272794 159155119 /nfs/dbraw/zinc/15/51/19/159155119.db2.gz YDLOVSDARNRVOI-JSGCOSHPSA-N 0 0 309.410 0.713 10 0 DCAERN CC(C)N1CC[C@@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)C1=O ZINC000330300365 159157304 /nfs/dbraw/zinc/15/73/04/159157304.db2.gz NCXRKILBFRYYSV-GHMZBOCLSA-N 0 0 305.338 0.227 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CO)cc1 ZINC000330521048 159185137 /nfs/dbraw/zinc/18/51/37/159185137.db2.gz QQZUXDKSCPLHLF-JQWIXIFHSA-N 0 0 301.364 0.466 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000332724383 159210623 /nfs/dbraw/zinc/21/06/23/159210623.db2.gz LBPCUTGHBSADMM-CHWSQXEVSA-N 0 0 319.409 0.989 10 0 DCAERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000332757302 159212769 /nfs/dbraw/zinc/21/27/69/159212769.db2.gz QHMUFKCWBJKTGR-ZNMIVQPWSA-N 0 0 320.393 0.861 10 0 DCAERN C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)[C@H]1CCCO1 ZINC000332763000 159213775 /nfs/dbraw/zinc/21/37/75/159213775.db2.gz XNXBDYGEHJNXRZ-SDDRHHMPSA-N 0 0 309.370 0.466 10 0 DCAERN C[C@H](NC(=O)N1CCOC[C@H]1c1ncnn1C)[C@@H]1CCCO1 ZINC000332763001 159213846 /nfs/dbraw/zinc/21/38/46/159213846.db2.gz XNXBDYGEHJNXRZ-SRVKXCTJSA-N 0 0 309.370 0.466 10 0 DCAERN O=C(N[C@H]1CCc2[nH]cnc2C1)[C@H]1COCCN1CC1CCC1 ZINC000332851876 159215668 /nfs/dbraw/zinc/21/56/68/159215668.db2.gz VPQAWIJCVJWRNQ-XJKSGUPXSA-N 0 0 318.421 0.884 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000366818211 159291116 /nfs/dbraw/zinc/29/11/16/159291116.db2.gz KFTNEIMKXXYRKE-BXUZGUMPSA-N 0 0 304.394 0.919 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c[nH]c(=S)[nH]1 ZINC000367124366 159315326 /nfs/dbraw/zinc/31/53/26/159315326.db2.gz GEXSJAVOCQJCNT-VIFPVBQESA-N 0 0 310.379 0.208 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000367330110 159331537 /nfs/dbraw/zinc/33/15/37/159331537.db2.gz LJQLTNRCJKNHKQ-YPMHNXCESA-N 0 0 308.407 0.835 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000367382773 159335558 /nfs/dbraw/zinc/33/55/58/159335558.db2.gz YZULVYGSNPWQJL-UHFFFAOYSA-N 0 0 316.354 0.083 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000367670398 159350063 /nfs/dbraw/zinc/35/00/63/159350063.db2.gz FNWJXSKHZOQKTM-LLVKDONJSA-N 0 0 323.378 0.462 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000367756863 159354425 /nfs/dbraw/zinc/35/44/25/159354425.db2.gz YEZZWYJZILUVSD-NWDGAFQWSA-N 0 0 320.370 0.668 10 0 DCAERN CC(C)OCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000368218354 159381827 /nfs/dbraw/zinc/38/18/27/159381827.db2.gz FXTPXOUKNVNDCV-CYBMUJFWSA-N 0 0 313.398 0.491 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000368222212 159382982 /nfs/dbraw/zinc/38/29/82/159382982.db2.gz PUXSFNVGMFMQRF-NSHDSACASA-N 0 0 305.382 0.809 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000368309448 159386721 /nfs/dbraw/zinc/38/67/21/159386721.db2.gz ZOEKNDUWRIUILB-FDYHWXHSSA-N 0 0 318.439 0.945 10 0 DCAERN COc1ccc(C(=O)N2CCOC[C@@H]2C(N)=O)cc1C1CC1 ZINC000370130605 159499578 /nfs/dbraw/zinc/49/95/78/159499578.db2.gz HTVRKBJJCGZHIB-CYBMUJFWSA-N 0 0 304.346 0.899 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@]2(C)CCCNC2=O)CC1)C(F)(F)F ZINC000370447938 159519700 /nfs/dbraw/zinc/51/97/00/159519700.db2.gz RUETVPYAILJXNJ-ZWNOBZJWSA-N 0 0 321.343 0.998 10 0 DCAERN CN1C[C@H](CNC(=O)Cn2cccnc2=O)Cc2ccccc21 ZINC000370710670 159536682 /nfs/dbraw/zinc/53/66/82/159536682.db2.gz MORRYSYREZVGRT-ZDUSSCGKSA-N 0 0 312.373 0.668 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCN3CCOC[C@H]3C2)cs1 ZINC000371787586 159585092 /nfs/dbraw/zinc/58/50/92/159585092.db2.gz CMLNBRVOYBASCE-SNVBAGLBSA-N 0 0 310.379 0.258 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)CC1=O ZINC000372589062 159632894 /nfs/dbraw/zinc/63/28/94/159632894.db2.gz ZZLLGDTZTTVUKV-NDBYEHHHSA-N 0 0 322.409 0.293 10 0 DCAERN COCCOC1CCC(C(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000373591103 159688960 /nfs/dbraw/zinc/68/89/60/159688960.db2.gz FRJQSQJWLSHTRN-IYXRBSQSSA-N 0 0 312.410 0.945 10 0 DCAERN CCOCCONC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374669793 159745607 /nfs/dbraw/zinc/74/56/07/159745607.db2.gz OTGZADXSRWZKCX-OLZOCXBDSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000375472749 159794891 /nfs/dbraw/zinc/79/48/91/159794891.db2.gz LMUNUWZFLBUZEM-GPCCPHFNSA-N 0 0 311.407 0.177 10 0 DCAERN CCS[C@H]1CCCCN(C(=O)CN2CCOCC2=O)C1 ZINC000376081633 159837915 /nfs/dbraw/zinc/83/79/15/159837915.db2.gz MLFZSDLANNRQDJ-LBPRGKRZSA-N 0 0 300.424 0.979 10 0 DCAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC[C@@](F)(CO)C2)C1 ZINC000376313723 159849795 /nfs/dbraw/zinc/84/97/95/159849795.db2.gz JBYOZZHXHQKLNS-CJNGLKHVSA-N 0 0 312.385 0.958 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000377048433 159894610 /nfs/dbraw/zinc/89/46/10/159894610.db2.gz SDMINHOHPJQKJH-YVECIDJPSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2ccc(F)cn2)CC1)C(=O)N(C)C ZINC000378424375 159981487 /nfs/dbraw/zinc/98/14/87/159981487.db2.gz DRTFDKYUUIPPEN-LLVKDONJSA-N 0 0 323.372 0.529 10 0 DCAERN C[C@@H](CC(=O)N1CC(n2ccnn2)C1)NC(=O)C1CCCC1 ZINC000378535657 159988037 /nfs/dbraw/zinc/98/80/37/159988037.db2.gz AGSJRFHHEKXRHE-NSHDSACASA-N 0 0 305.382 0.746 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC(=O)NC1 ZINC000407960472 159997200 /nfs/dbraw/zinc/99/72/00/159997200.db2.gz WDOINYABRJYRGJ-VXGBXAGGSA-N 0 0 308.300 0.819 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407971697 160000151 /nfs/dbraw/zinc/00/01/51/160000151.db2.gz QMJCCNZJOABXFF-QWHCGFSZSA-N 0 0 309.410 0.857 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000407970711 160000191 /nfs/dbraw/zinc/00/01/91/160000191.db2.gz LSMKIPKDMKHRQI-OLZOCXBDSA-N 0 0 309.410 0.714 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000407973083 160000242 /nfs/dbraw/zinc/00/02/42/160000242.db2.gz OZALTZYMEQWLKM-QWHCGFSZSA-N 0 0 318.439 0.876 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407971537 160000268 /nfs/dbraw/zinc/00/02/68/160000268.db2.gz PPZXLPMIPCXGAW-CYBMUJFWSA-N 0 0 317.393 0.814 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N[C@H]3CCCNC3=O)ccc21 ZINC000407980317 160001212 /nfs/dbraw/zinc/00/12/12/160001212.db2.gz IAAZSNRXXMZINF-ZDUSSCGKSA-N 0 0 316.361 0.996 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)CS(=O)(=O)N(C)C)[nH]1 ZINC000407980313 160001373 /nfs/dbraw/zinc/00/13/73/160001373.db2.gz HQDIMUBBXDUBFH-SNVBAGLBSA-N 0 0 315.399 0.058 10 0 DCAERN CC1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000407979943 160001818 /nfs/dbraw/zinc/00/18/18/160001818.db2.gz GZXLZDAEJNAJPA-UHFFFAOYSA-N 0 0 324.402 0.799 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)[nH]1 ZINC000407981280 160001827 /nfs/dbraw/zinc/00/18/27/160001827.db2.gz RSXMWTKLOCJLRH-JTQLQIEISA-N 0 0 320.353 0.061 10 0 DCAERN CCN1C(=O)CC[C@@H](C(=O)N2CC(C)(O)C2)[C@@H]1c1cnn(C)c1 ZINC000407982877 160002596 /nfs/dbraw/zinc/00/25/96/160002596.db2.gz ABEIHFIOJIETHJ-OCCSQVGLSA-N 0 0 320.393 0.313 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccon3)[C@H]2C1 ZINC000407989001 160004113 /nfs/dbraw/zinc/00/41/13/160004113.db2.gz FHLINEZLEGXCDP-FRRDWIJNSA-N 0 0 316.379 0.773 10 0 DCAERN COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000407996477 160006007 /nfs/dbraw/zinc/00/60/07/160006007.db2.gz MLLOXHPZTCQSAY-RDBSUJKOSA-N 0 0 310.394 0.651 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000407995540 160006191 /nfs/dbraw/zinc/00/61/91/160006191.db2.gz HYXSIBVORVLDMF-DGCLKSJQSA-N 0 0 318.439 0.589 10 0 DCAERN Cn1c(=O)cccc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408004714 160008567 /nfs/dbraw/zinc/00/85/67/160008567.db2.gz MWYIHTPPQKAGOW-GFCCVEGCSA-N 0 0 304.268 0.915 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@H]2CCO)C[C@@H](C)O1 ZINC000408008676 160009629 /nfs/dbraw/zinc/00/96/29/160009629.db2.gz FWYFLVIMIRUOBE-IJLUTSLNSA-N 0 0 324.468 0.140 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 ZINC000408011800 160010474 /nfs/dbraw/zinc/01/04/74/160010474.db2.gz ZZHLBHUHTBAFEA-OAHLLOKOSA-N 0 0 304.350 0.214 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000408016267 160011779 /nfs/dbraw/zinc/01/17/79/160011779.db2.gz JCEINXOBTWZMOS-ZIAGYGMSSA-N 0 0 311.407 0.484 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)nc(C)n1 ZINC000408019185 160012768 /nfs/dbraw/zinc/01/27/68/160012768.db2.gz WZFRMQQHNWJHBI-GHMZBOCLSA-N 0 0 314.411 0.537 10 0 DCAERN CN(C(=O)NC[C@]1(C)CCCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000408020033 160012770 /nfs/dbraw/zinc/01/27/70/160012770.db2.gz YSPXBDBRLOTOIF-OBJOEFQTSA-N 0 0 318.439 0.756 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000408021865 160013800 /nfs/dbraw/zinc/01/38/00/160013800.db2.gz JRCSFFVWTWOAFX-VXGBXAGGSA-N 0 0 311.382 0.054 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000408021862 160014225 /nfs/dbraw/zinc/01/42/25/160014225.db2.gz JRCSFFVWTWOAFX-NWDGAFQWSA-N 0 0 311.382 0.054 10 0 DCAERN CNC(=O)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000408029372 160015741 /nfs/dbraw/zinc/01/57/41/160015741.db2.gz XCQRKWAIUZNPNM-MRVPVSSYSA-N 0 0 318.299 0.891 10 0 DCAERN CC(C)(C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1F ZINC000408032880 160017348 /nfs/dbraw/zinc/01/73/48/160017348.db2.gz DHWHZPXRKXVMPD-GFCCVEGCSA-N 0 0 319.336 0.866 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000408038927 160019274 /nfs/dbraw/zinc/01/92/74/160019274.db2.gz RNYULWPPEACGLL-VIFPVBQESA-N 0 0 322.315 0.937 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000408041827 160020579 /nfs/dbraw/zinc/02/05/79/160020579.db2.gz IPEGCORVRNYMAY-OAHLLOKOSA-N 0 0 314.451 0.961 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)Cc2csc(C)n2)C1 ZINC000408047846 160022346 /nfs/dbraw/zinc/02/23/46/160022346.db2.gz JHMHJVCIEQBWNU-AWEZNQCLSA-N 0 0 311.407 0.783 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)C1 ZINC000408048782 160022531 /nfs/dbraw/zinc/02/25/31/160022531.db2.gz PTQLPJDZNVWPKO-RDBSUJKOSA-N 0 0 309.410 0.618 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCNC(=O)[C@H]2c2cccs2)C1 ZINC000408049514 160022982 /nfs/dbraw/zinc/02/29/82/160022982.db2.gz ASQGDZBADIZDTO-DGCLKSJQSA-N 0 0 321.402 0.616 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)[C@H]1C ZINC000408047329 160023085 /nfs/dbraw/zinc/02/30/85/160023085.db2.gz PNXLEUZXDNSVLD-OKWIKPQFSA-N 0 0 311.426 0.502 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C(=O)C1CCOCC1)N1CCOCC1 ZINC000408050555 160023690 /nfs/dbraw/zinc/02/36/90/160023690.db2.gz DQPBLKGDHRAYLQ-OLZOCXBDSA-N 0 0 314.357 0.211 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)CSCC(F)(F)F)CC[C@@H]21 ZINC000408053468 160024283 /nfs/dbraw/zinc/02/42/83/160024283.db2.gz UOVIUQMREUJFTR-SFYZADRCSA-N 0 0 311.329 0.906 10 0 DCAERN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058028 160025377 /nfs/dbraw/zinc/02/53/77/160025377.db2.gz DTGCNJUMMJFRHX-GHMZBOCLSA-N 0 0 323.393 0.374 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000408059311 160025897 /nfs/dbraw/zinc/02/58/97/160025897.db2.gz BZNXEFMSNMDUAV-UPJWGTAASA-N 0 0 324.377 0.035 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@H]2CCO)[C@@H](C)CO1 ZINC000408059085 160026000 /nfs/dbraw/zinc/02/60/00/160026000.db2.gz FZGUQVQDRBTDEF-QJPTWQEYSA-N 0 0 324.468 0.140 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCCSCC3)cnc21 ZINC000408073361 160029414 /nfs/dbraw/zinc/02/94/14/160029414.db2.gz QHYRECBQLZABSC-UHFFFAOYSA-N 0 0 320.374 0.613 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000408083736 160031471 /nfs/dbraw/zinc/03/14/71/160031471.db2.gz KVUWDVOOTCYYDQ-MROQNXINSA-N 0 0 306.428 0.745 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c1C ZINC000408088779 160033335 /nfs/dbraw/zinc/03/33/35/160033335.db2.gz KHXLHLZIEVEFKP-SKDRFNHKSA-N 0 0 301.412 0.911 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@@H]1O ZINC000408089797 160033658 /nfs/dbraw/zinc/03/36/58/160033658.db2.gz AKNWQIOXOQIUSA-KWQFWETISA-N 0 0 316.354 0.316 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c(C)o1 ZINC000408089974 160033736 /nfs/dbraw/zinc/03/37/36/160033736.db2.gz PGXRANWMRQMDFO-SCZZXKLOSA-N 0 0 317.363 0.766 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408094288 160034023 /nfs/dbraw/zinc/03/40/23/160034023.db2.gz RWRTVACNICCDLV-APPZFPTMSA-N 0 0 318.420 0.547 10 0 DCAERN C[C@@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408094735 160035029 /nfs/dbraw/zinc/03/50/29/160035029.db2.gz IRAQVBMGXDXORT-GRYCIOLGSA-N 0 0 323.393 0.469 10 0 DCAERN Cc1cnc(C(=O)N2CCN(c3cnn(C)c3)CC2)c(O)c1 ZINC000408106435 160037128 /nfs/dbraw/zinc/03/71/28/160037128.db2.gz KUWLOXIKBFDPSF-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN Cc1csc2ncc(C(=O)N3CC[C@H](C)[C@@H](O)C3)c(=O)n12 ZINC000408118952 160040292 /nfs/dbraw/zinc/04/02/92/160040292.db2.gz ASEMHULKISPAMJ-KWQFWETISA-N 0 0 307.375 0.907 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1 ZINC000408121469 160041083 /nfs/dbraw/zinc/04/10/83/160041083.db2.gz DNKFMHIKPYUZGH-LLVKDONJSA-N 0 0 306.428 0.435 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000408122435 160042102 /nfs/dbraw/zinc/04/21/02/160042102.db2.gz KDDSRDPFXUDPSR-SNVBAGLBSA-N 0 0 315.399 0.058 10 0 DCAERN O=C(CN1CCCC1=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408128329 160042708 /nfs/dbraw/zinc/04/27/08/160042708.db2.gz IUFLVMBAZNZXBZ-ZDUSSCGKSA-N 0 0 307.394 0.470 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000408127599 160042770 /nfs/dbraw/zinc/04/27/70/160042770.db2.gz XCUZJONLYUTRMV-KGLIPLIRSA-N 0 0 321.425 0.725 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc(C)n(C)n3)CC2)n1 ZINC000408126695 160042839 /nfs/dbraw/zinc/04/28/39/160042839.db2.gz AOJVRIQYFNDGFT-NSHDSACASA-N 0 0 318.381 0.939 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000408146059 160047531 /nfs/dbraw/zinc/04/75/31/160047531.db2.gz MQSXIASQQCJHCV-ZDUSSCGKSA-N 0 0 315.443 0.823 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000408151194 160048671 /nfs/dbraw/zinc/04/86/71/160048671.db2.gz UAEXMDRYZWNDJE-YRGRVCCFSA-N 0 0 309.410 0.903 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408155474 160049308 /nfs/dbraw/zinc/04/93/08/160049308.db2.gz UXFYWHMXQNSYPF-GHMZBOCLSA-N 0 0 303.424 0.725 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000408152205 160049364 /nfs/dbraw/zinc/04/93/64/160049364.db2.gz XOVSGVSUVZOLMY-IQJOONFLSA-N 0 0 322.452 0.188 10 0 DCAERN C[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCCCCC2)CC(=O)N1 ZINC000408162616 160050091 /nfs/dbraw/zinc/05/00/91/160050091.db2.gz XYLXDNHOTXDHAD-QWHCGFSZSA-N 0 0 309.410 0.810 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000408168274 160051929 /nfs/dbraw/zinc/05/19/29/160051929.db2.gz ILBCLPKQYZRKFM-AWEZNQCLSA-N 0 0 324.425 0.603 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000408174569 160052654 /nfs/dbraw/zinc/05/26/54/160052654.db2.gz SBEJPEKWXRIUOZ-UWVGGRQHSA-N 0 0 311.382 0.515 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCOCC3(CC3)C2)c1 ZINC000408174878 160052982 /nfs/dbraw/zinc/05/29/82/160052982.db2.gz NMYYPHCHXDNLFR-UHFFFAOYSA-N 0 0 315.347 0.867 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408183297 160054210 /nfs/dbraw/zinc/05/42/10/160054210.db2.gz PXJIXOCSJNZGMW-WOPDTQHZSA-N 0 0 319.427 0.277 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000408184247 160055051 /nfs/dbraw/zinc/05/50/51/160055051.db2.gz AKPMRWBZIMDVQI-NWDGAFQWSA-N 0 0 316.423 0.628 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000408188278 160055741 /nfs/dbraw/zinc/05/57/41/160055741.db2.gz SCDBZVCQSICAKQ-JQWIXIFHSA-N 0 0 322.452 0.049 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](C)O)CC2)o1 ZINC000408189990 160056060 /nfs/dbraw/zinc/05/60/60/160056060.db2.gz RIKMGBIVYSOKCC-SECBINFHSA-N 0 0 316.379 0.421 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408189273 160056197 /nfs/dbraw/zinc/05/61/97/160056197.db2.gz WFNYCDROWIXVMD-NZBPQXDJSA-N 0 0 318.373 0.857 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(c3cnn(C)c3)CC2)CC(=O)N1 ZINC000408191006 160056585 /nfs/dbraw/zinc/05/65/85/160056585.db2.gz CBEUBFMEIMMCSU-STQMWFEESA-N 0 0 319.409 0.374 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(Cc3ccco3)CC2)CC(=O)N1 ZINC000408197620 160057246 /nfs/dbraw/zinc/05/72/46/160057246.db2.gz KZYSDARKVQTGEE-OLZOCXBDSA-N 0 0 305.378 0.839 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408197059 160057327 /nfs/dbraw/zinc/05/73/27/160057327.db2.gz FXLZRJQPOKKCRC-NXEZZACHSA-N 0 0 307.316 0.608 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)nc(C)n1 ZINC000408198956 160058261 /nfs/dbraw/zinc/05/82/61/160058261.db2.gz PNDQQQIPBVFQCP-IAQYHMDHSA-N 0 0 304.394 0.886 10 0 DCAERN Cc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)nc(C)n1 ZINC000408199922 160058391 /nfs/dbraw/zinc/05/83/91/160058391.db2.gz XXJLCTDTBQIVSU-UHFFFAOYSA-N 0 0 312.395 0.201 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC(=O)N1 ZINC000408204684 160059086 /nfs/dbraw/zinc/05/90/86/160059086.db2.gz OKNNUKCBTBOGHW-BREBYQMCSA-N 0 0 321.402 0.662 10 0 DCAERN CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)NC1CCCC1 ZINC000408205184 160059798 /nfs/dbraw/zinc/05/97/98/160059798.db2.gz JBJRFJCLKXWKQD-JTQLQIEISA-N 0 0 312.457 0.518 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)CC1CCOCC1 ZINC000408205258 160059923 /nfs/dbraw/zinc/05/99/23/160059923.db2.gz JSDPSFATSIFVSX-JTQLQIEISA-N 0 0 309.409 0.291 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ccc(F)cn3)CC2)CC(=O)N1 ZINC000408205445 160060391 /nfs/dbraw/zinc/06/03/91/160060391.db2.gz YCUGVAPXBMGLKR-RYUDHWBXSA-N 0 0 320.368 0.784 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000408209344 160061026 /nfs/dbraw/zinc/06/10/26/160061026.db2.gz ZVQVCBGTYNNZDE-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(Cc1ccon1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408216867 160062119 /nfs/dbraw/zinc/06/21/19/160062119.db2.gz JOZDGVJFDWYIKO-LBPRGKRZSA-N 0 0 309.391 0.784 10 0 DCAERN Cc1cnc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(O)c1 ZINC000408223368 160063140 /nfs/dbraw/zinc/06/31/40/160063140.db2.gz ISTJBYURFWWRTA-OLZOCXBDSA-N 0 0 305.378 0.888 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000408226221 160063740 /nfs/dbraw/zinc/06/37/40/160063740.db2.gz NTYUMGRHZAZRTH-ZIAGYGMSSA-N 0 0 320.389 0.777 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)[C@H]1OC ZINC000408229108 160063832 /nfs/dbraw/zinc/06/38/32/160063832.db2.gz MVAUDUWUYJWUOH-JZRPKSSGSA-N 0 0 322.427 0.122 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3ncc(C)cc3O)CCO2)[nH]1 ZINC000408229023 160064046 /nfs/dbraw/zinc/06/40/46/160064046.db2.gz LVTOXVMJNFOSLR-NSHDSACASA-N 0 0 303.322 0.736 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408232392 160065163 /nfs/dbraw/zinc/06/51/63/160065163.db2.gz NZDJYYWFOFECQK-DTWKUNHWSA-N 0 0 304.334 0.312 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC000408232568 160065567 /nfs/dbraw/zinc/06/55/67/160065567.db2.gz UTWOXYVYBUPDNQ-BXKDBHETSA-N 0 0 301.337 0.310 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000408232858 160065575 /nfs/dbraw/zinc/06/55/75/160065575.db2.gz WPZGZUVTHMICNM-LSDHHAIUSA-N 0 0 306.410 0.994 10 0 DCAERN C[C@H]1[C@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(F)F ZINC000408233892 160065726 /nfs/dbraw/zinc/06/57/26/160065726.db2.gz YHSBRBBJBWNRLN-GZMMTYOYSA-N 0 0 322.377 0.960 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)CC1=O ZINC000408235798 160065980 /nfs/dbraw/zinc/06/59/80/160065980.db2.gz FWQUFDLSVSUUQF-XQHKEYJVSA-N 0 0 316.423 0.484 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)no1 ZINC000408236978 160066007 /nfs/dbraw/zinc/06/60/07/160066007.db2.gz RCVATEHTJCLSSZ-BDAKNGLRSA-N 0 0 318.399 0.557 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2nccn2C(F)F)CCS1(=O)=O ZINC000408236336 160066108 /nfs/dbraw/zinc/06/61/08/160066108.db2.gz OHXGYRLMRFPJBW-MRVPVSSYSA-N 0 0 322.337 0.607 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000408241509 160067717 /nfs/dbraw/zinc/06/77/17/160067717.db2.gz XKTLZECKAZCIIO-CYBMUJFWSA-N 0 0 318.377 0.003 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)nn1C ZINC000408247980 160069212 /nfs/dbraw/zinc/06/92/12/160069212.db2.gz ZUNQKRGFQSNJOI-CYBMUJFWSA-N 0 0 318.381 0.478 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000408253663 160069887 /nfs/dbraw/zinc/06/98/87/160069887.db2.gz IXYYVOPYDXYODL-IAQYHMDHSA-N 0 0 305.382 0.793 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000408265321 160071892 /nfs/dbraw/zinc/07/18/92/160071892.db2.gz QIALEYLQMNPMSR-WXHSDQCUSA-N 0 0 323.397 0.603 10 0 DCAERN CC1(C)CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H]1O ZINC000408267008 160072652 /nfs/dbraw/zinc/07/26/52/160072652.db2.gz WCNXZSYGRJQNHY-LBPRGKRZSA-N 0 0 317.345 0.331 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@@H](CO)O1 ZINC000408269477 160072686 /nfs/dbraw/zinc/07/26/86/160072686.db2.gz CFTLEKBOEOUFPG-UTUOFQBUSA-N 0 0 309.366 0.146 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)CC(=O)N1 ZINC000408276090 160074088 /nfs/dbraw/zinc/07/40/88/160074088.db2.gz FAFWPOUQINLPFD-OQMKEHIESA-N 0 0 310.394 0.698 10 0 DCAERN CCC1(CC)CN(C(=O)CS(=O)(=O)N(C)C)CC[S@@]1=O ZINC000408276528 160074173 /nfs/dbraw/zinc/07/41/73/160074173.db2.gz JGTNUGYFCSPZJT-IBGZPJMESA-N 0 0 324.468 0.028 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408275034 160074523 /nfs/dbraw/zinc/07/45/23/160074523.db2.gz SCMVDNJLKUMYLU-QWHCGFSZSA-N 0 0 311.426 0.456 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000408286302 160076503 /nfs/dbraw/zinc/07/65/03/160076503.db2.gz LKYJTVJRXFPDIJ-CYBMUJFWSA-N 0 0 316.427 0.554 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000408293931 160078407 /nfs/dbraw/zinc/07/84/07/160078407.db2.gz JGBUNGBANNUTIC-RYUDHWBXSA-N 0 0 303.362 0.913 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294477 160078412 /nfs/dbraw/zinc/07/84/12/160078412.db2.gz MYGSXEHUPOAQOX-TZMCWYRMSA-N 0 0 302.334 0.825 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](O)C[C@@H]2C)c1 ZINC000408293503 160078442 /nfs/dbraw/zinc/07/84/42/160078442.db2.gz YOSSNSSHEFKQAY-ONGXEEELSA-N 0 0 313.379 0.582 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 ZINC000408296231 160078828 /nfs/dbraw/zinc/07/88/28/160078828.db2.gz BRLZKQQMMARAMO-MEBBXXQBSA-N 0 0 305.334 0.201 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295745 160079218 /nfs/dbraw/zinc/07/92/18/160079218.db2.gz WLHJTCBPOQNKHE-OLZOCXBDSA-N 0 0 304.350 0.332 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C[C@H](C)O1 ZINC000408302142 160079744 /nfs/dbraw/zinc/07/97/44/160079744.db2.gz DVQHVTMFDQBMAU-IHRRRGAJSA-N 0 0 312.410 0.896 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C[C@H](C)O1 ZINC000408302143 160079880 /nfs/dbraw/zinc/07/98/80/160079880.db2.gz DVQHVTMFDQBMAU-MELADBBJSA-N 0 0 312.410 0.896 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000408304143 160080493 /nfs/dbraw/zinc/08/04/93/160080493.db2.gz WSLDYCAPGNZNDE-MCIONIFRSA-N 0 0 324.425 0.588 10 0 DCAERN CCC(=O)N[C@@H]1CCCN([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408307419 160081406 /nfs/dbraw/zinc/08/14/06/160081406.db2.gz GMKYUWUPIVXPFO-UKRRQHHQSA-N 0 0 323.437 0.757 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408306939 160081440 /nfs/dbraw/zinc/08/14/40/160081440.db2.gz RNJPUYRDVMNNSA-SECBINFHSA-N 0 0 315.370 0.249 10 0 DCAERN Cn1nc2c(cc1=O)CN(S(=O)(=O)CC(F)(F)F)CC2 ZINC000408315766 160082972 /nfs/dbraw/zinc/08/29/72/160082972.db2.gz LASZSQOJIYLTJG-UHFFFAOYSA-N 0 0 311.285 0.031 10 0 DCAERN COc1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)nn1C ZINC000408320258 160083884 /nfs/dbraw/zinc/08/38/84/160083884.db2.gz NZNXMMVUCTZGDP-NSHDSACASA-N 0 0 307.272 0.958 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000408319041 160083930 /nfs/dbraw/zinc/08/39/30/160083930.db2.gz FFEFGWCHPOZNPO-NEPJUHHUSA-N 0 0 302.440 0.513 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@@]2(CCOC2)O1 ZINC000408326944 160085381 /nfs/dbraw/zinc/08/53/81/160085381.db2.gz QZRQVBDZFLHZBM-XHDPSFHLSA-N 0 0 308.334 0.416 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@]2(CCOC2)O1 ZINC000408325780 160085681 /nfs/dbraw/zinc/08/56/81/160085681.db2.gz DZROHMMXWNOVQL-BMIGLBTASA-N 0 0 308.334 0.789 10 0 DCAERN C[C@H](CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1)[S@](C)=O ZINC000408345476 160089008 /nfs/dbraw/zinc/08/90/08/160089008.db2.gz BGOUTHMAXFTICK-DGIBIBHMSA-N 0 0 324.468 0.362 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000408354475 160090928 /nfs/dbraw/zinc/09/09/28/160090928.db2.gz HVWIYHWOBMZTFG-VXGBXAGGSA-N 0 0 310.398 0.260 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000408359551 160091359 /nfs/dbraw/zinc/09/13/59/160091359.db2.gz UZRKIKIQSMMZRS-NSHDSACASA-N 0 0 302.400 0.877 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN[C@@H](c2ccncc2)C1 ZINC000408357178 160091464 /nfs/dbraw/zinc/09/14/64/160091464.db2.gz IZPLLGQHUVCRTB-ZJIFWQFVSA-N 0 0 317.389 0.606 10 0 DCAERN O=C(CN1CCO[C@H](CO)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000408369092 160093869 /nfs/dbraw/zinc/09/38/69/160093869.db2.gz RHKDGHRAPMAVBH-RDVIWEACSA-N 0 0 308.422 0.765 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408369558 160093950 /nfs/dbraw/zinc/09/39/50/160093950.db2.gz YSSKRFCEGOEALK-ZWNOBZJWSA-N 0 0 316.423 0.327 10 0 DCAERN CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000408374631 160094467 /nfs/dbraw/zinc/09/44/67/160094467.db2.gz IMOKYAINLFPKAT-MCIONIFRSA-N 0 0 308.426 0.733 10 0 DCAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(=O)N1 ZINC000408373348 160094679 /nfs/dbraw/zinc/09/46/79/160094679.db2.gz KZCIGZIDCPRKCV-KOLCDFICSA-N 0 0 316.361 0.981 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408380421 160095883 /nfs/dbraw/zinc/09/58/83/160095883.db2.gz YZAPNMNHPDJWRO-XQQFMLRXSA-N 0 0 318.439 0.684 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408380581 160096144 /nfs/dbraw/zinc/09/61/44/160096144.db2.gz ARHJDNPKAMIFHA-KDRJOKAESA-N 0 0 318.439 0.469 10 0 DCAERN O=C(NCCC[C@@H]1CCCC[C@H]1O)N1CCS(=O)(=O)CC1 ZINC000408395089 160099902 /nfs/dbraw/zinc/09/99/02/160099902.db2.gz LUYOULNRCVKAPQ-QWHCGFSZSA-N 0 0 318.439 0.758 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000408399216 160100661 /nfs/dbraw/zinc/10/06/61/160100661.db2.gz FURBVEUIWUXMON-MRVPVSSYSA-N 0 0 304.397 0.080 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CCCCO3)CCO2)n1 ZINC000408402501 160101124 /nfs/dbraw/zinc/10/11/24/160101124.db2.gz NRPWTGPVHGUVGW-KBPBESRZSA-N 0 0 308.382 0.691 10 0 DCAERN O=S1(=O)CCCN1[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000408402060 160101460 /nfs/dbraw/zinc/10/14/60/160101460.db2.gz JRMRNAGSINNVHD-ZJUUUORDSA-N 0 0 316.345 0.410 10 0 DCAERN CNS(=O)(=O)CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000408407043 160101754 /nfs/dbraw/zinc/10/17/54/160101754.db2.gz WFGYRXJTFAGRRG-UHFFFAOYSA-N 0 0 302.318 0.773 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000408410015 160102495 /nfs/dbraw/zinc/10/24/95/160102495.db2.gz HYGKXCKFBDBSBL-UHFFFAOYSA-N 0 0 304.346 0.924 10 0 DCAERN CC1(C)CCC[C@@](O)(CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408417110 160103621 /nfs/dbraw/zinc/10/36/21/160103621.db2.gz PRTGTEVOWIGCMO-FZMZJTMJSA-N 0 0 303.424 0.869 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000408418966 160104379 /nfs/dbraw/zinc/10/43/79/160104379.db2.gz FMRAEZXJCIZMIX-NEPJUHHUSA-N 0 0 320.397 0.813 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408424297 160105427 /nfs/dbraw/zinc/10/54/27/160105427.db2.gz UVGLQUHVEVVYIR-GMTAPVOTSA-N 0 0 308.300 0.912 10 0 DCAERN CSCC[C@@H](CO)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408433474 160106629 /nfs/dbraw/zinc/10/66/29/160106629.db2.gz BDHCUNFJELCHFM-AXFHLTTASA-N 0 0 312.457 0.044 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C ZINC000408431959 160106905 /nfs/dbraw/zinc/10/69/05/160106905.db2.gz CODJCXZUSQTGAU-MNOVXSKESA-N 0 0 317.386 0.296 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408434792 160107868 /nfs/dbraw/zinc/10/78/68/160107868.db2.gz SAQMDZIWIJVOFI-QNWHQSFQSA-N 0 0 308.444 0.727 10 0 DCAERN CC(C)(CNC(=O)[C@@]1(C)CCCO1)N1CCS(=O)CC1 ZINC000408444437 160109348 /nfs/dbraw/zinc/10/93/48/160109348.db2.gz VTPDQSZRTJORCO-CQSZACIVSA-N 0 0 302.440 0.515 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](CO)C1 ZINC000408447572 160110137 /nfs/dbraw/zinc/11/01/37/160110137.db2.gz YMVOZZBZXOXXGP-NEPJUHHUSA-N 0 0 323.397 0.639 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N(C)CCN2CCOC(C)(C)C2)CC(=O)N1 ZINC000408449489 160110460 /nfs/dbraw/zinc/11/04/60/160110460.db2.gz GNHQFNVKJASEEK-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000408452499 160110646 /nfs/dbraw/zinc/11/06/46/160110646.db2.gz PWSRPTJYCPBCOZ-AXFHLTTASA-N 0 0 303.380 0.412 10 0 DCAERN CC1(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408457855 160112520 /nfs/dbraw/zinc/11/25/20/160112520.db2.gz CVMLZRRJHBMQIY-UWVGGRQHSA-N 0 0 310.441 0.319 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408466565 160114428 /nfs/dbraw/zinc/11/44/28/160114428.db2.gz MLPRTEZXWXRRNU-NWDGAFQWSA-N 0 0 323.393 0.470 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCOc3ccc(Cl)cc32)CC(=O)N1 ZINC000408465483 160115029 /nfs/dbraw/zinc/11/50/29/160115029.db2.gz KIZPCDCETZXUTP-SNVBAGLBSA-N 0 0 323.780 0.886 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCCN1CCCC1=O ZINC000062465770 286902333 /nfs/dbraw/zinc/90/23/33/286902333.db2.gz LPJUDFZVQWISPJ-NEPJUHHUSA-N 0 0 312.414 0.601 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCCC[C@@H]2C)n(C)n1 ZINC000125674803 286967687 /nfs/dbraw/zinc/96/76/87/286967687.db2.gz GZPBRCBPWISBFT-NSHDSACASA-N 0 0 308.382 0.949 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000126393787 286971065 /nfs/dbraw/zinc/97/10/65/286971065.db2.gz WUYVYNOHEULFHT-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C)CC(C)(CO)CO)c1ccccc1 ZINC000127540873 286978317 /nfs/dbraw/zinc/97/83/17/286978317.db2.gz PKEHKFNFFHGXQA-OAHLLOKOSA-N 0 0 322.405 0.703 10 0 DCAERN O=C(NCCO)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000127963398 286980575 /nfs/dbraw/zinc/98/05/75/286980575.db2.gz MXRIBCMBCFZXSO-UHFFFAOYSA-N 0 0 315.333 0.396 10 0 DCAERN Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129047578 286986129 /nfs/dbraw/zinc/98/61/29/286986129.db2.gz QKJAMEFNYPDBLR-CYBMUJFWSA-N 0 0 317.389 0.899 10 0 DCAERN CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CCC1 ZINC000128624749 286983993 /nfs/dbraw/zinc/98/39/93/286983993.db2.gz UJONAPGAKBQVAB-SNVBAGLBSA-N 0 0 314.411 0.536 10 0 DCAERN CC[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000130429052 286993819 /nfs/dbraw/zinc/99/38/19/286993819.db2.gz WIBHZKMFEGBDLD-LLVKDONJSA-N 0 0 301.346 0.948 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)[C@@H](C)CO)n2)cc1 ZINC000131931192 287002880 /nfs/dbraw/zinc/00/28/80/287002880.db2.gz ZUFMCUQYMKQNLY-RYUDHWBXSA-N 0 0 303.366 0.782 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccco2)C1 ZINC000132221767 287004117 /nfs/dbraw/zinc/00/41/17/287004117.db2.gz ONSORMJUWRNLJO-GHMZBOCLSA-N 0 0 322.365 0.239 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000135035853 287020006 /nfs/dbraw/zinc/02/00/06/287020006.db2.gz MNUFEVAXECLCMX-SNVBAGLBSA-N 0 0 310.366 0.962 10 0 DCAERN NC(=O)NCC(=O)NCCOc1ncccc1C(F)(F)F ZINC000151379385 287033345 /nfs/dbraw/zinc/03/33/45/287033345.db2.gz CEUMMYHYDJRHHJ-UHFFFAOYSA-N 0 0 306.244 0.264 10 0 DCAERN COc1ccc(CCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1F ZINC000152162445 287039428 /nfs/dbraw/zinc/03/94/28/287039428.db2.gz WPWCGEXXNDERCE-LLVKDONJSA-N 0 0 308.309 0.688 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)CNC(N)=O)n(-c2ccccc2)n1 ZINC000153057109 287046505 /nfs/dbraw/zinc/04/65/05/287046505.db2.gz IHJUCBQMRADFBF-LLVKDONJSA-N 0 0 315.377 0.896 10 0 DCAERN CCc1nc(S(=O)(=O)CC(=O)Nc2ccccc2F)n[nH]1 ZINC000153145344 287047147 /nfs/dbraw/zinc/04/71/47/287047147.db2.gz IFTSBFUIMYWRBU-UHFFFAOYSA-N 0 0 312.326 0.919 10 0 DCAERN CC[C@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181113414 287056273 /nfs/dbraw/zinc/05/62/73/287056273.db2.gz TWTVECAKXZWMAL-BFHYXJOUSA-N 0 0 319.471 0.757 10 0 DCAERN O=C(Cn1cccn1)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000192570093 287059052 /nfs/dbraw/zinc/05/90/52/287059052.db2.gz JSKDEAOQISEMOJ-SNVBAGLBSA-N 0 0 305.363 0.969 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)O)cc1 ZINC000228199975 287063434 /nfs/dbraw/zinc/06/34/34/287063434.db2.gz FNUVDVCQLWRLQV-UWVGGRQHSA-N 0 0 300.380 0.484 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193422836 287061157 /nfs/dbraw/zinc/06/11/57/287061157.db2.gz WQJMWMSDNBKTFJ-UHFFFAOYSA-N 0 0 319.361 0.556 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000245425516 287069054 /nfs/dbraw/zinc/06/90/54/287069054.db2.gz TYJQUFVBSTVWDY-NEPJUHHUSA-N 0 0 317.455 0.952 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CC(N)=O)C2)C1 ZINC000245430587 287069260 /nfs/dbraw/zinc/06/92/60/287069260.db2.gz ZVIWECISXBUMDU-NEPJUHHUSA-N 0 0 303.428 0.551 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCCC(=O)N[C@@H](C)[C@H](C)CO ZINC000245686733 287072266 /nfs/dbraw/zinc/07/22/66/287072266.db2.gz SZJZOIMBZNFEEZ-FNFFVJSTSA-N 0 0 302.415 0.423 10 0 DCAERN CC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000245907114 287074015 /nfs/dbraw/zinc/07/40/15/287074015.db2.gz MDAMCKYKRZMIRK-ZDEQEGDKSA-N 0 0 306.428 0.888 10 0 DCAERN COC(=O)CCN1CCN(C[C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000245904933 287074119 /nfs/dbraw/zinc/07/41/19/287074119.db2.gz SXJNTPRWWJMPAZ-STQMWFEESA-N 0 0 320.455 0.236 10 0 DCAERN CCNC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000245998517 287075028 /nfs/dbraw/zinc/07/50/28/287075028.db2.gz IDRYPZZYZWFABH-NEPJUHHUSA-N 0 0 318.443 0.357 10 0 DCAERN CN(C(=O)CN1CC(=O)N[C@@H]2CCCC[C@H]21)c1nccs1 ZINC000246459861 287084107 /nfs/dbraw/zinc/08/41/07/287084107.db2.gz FRONEHKWMNNVMS-GHMZBOCLSA-N 0 0 308.407 0.849 10 0 DCAERN COC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000246357917 287082016 /nfs/dbraw/zinc/08/20/16/287082016.db2.gz XUGISARHTVFUMD-RYUDHWBXSA-N 0 0 304.412 0.991 10 0 DCAERN CN(C)S(=O)(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246721197 287087189 /nfs/dbraw/zinc/08/71/89/287087189.db2.gz OCMWRXHIRIQCNS-SKDRFNHKSA-N 0 0 306.334 0.879 10 0 DCAERN C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000246806382 287088173 /nfs/dbraw/zinc/08/81/73/287088173.db2.gz BLYHSLBHEWFVFP-HZSPNIEDSA-N 0 0 311.426 0.565 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247446343 287093982 /nfs/dbraw/zinc/09/39/82/287093982.db2.gz YMHIVPTUFLSBQQ-JGVFFNPUSA-N 0 0 302.318 0.172 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000247224916 287092099 /nfs/dbraw/zinc/09/20/99/287092099.db2.gz CGTXHLNPQOHSHY-NWDGAFQWSA-N 0 0 303.428 0.421 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000249192135 287107914 /nfs/dbraw/zinc/10/79/14/287107914.db2.gz ALYYLQFGHSJJFI-DGCLKSJQSA-N 0 0 304.412 0.991 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@H](C)O1 ZINC000252466384 287120608 /nfs/dbraw/zinc/12/06/08/287120608.db2.gz YIMMUJDHYSYUFI-MROQNXINSA-N 0 0 306.428 0.840 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183970106 287127377 /nfs/dbraw/zinc/12/73/77/287127377.db2.gz YPIZFDUNDDWGFE-UWVGGRQHSA-N 0 0 324.406 0.862 10 0 DCAERN CC[C@@H]1CN(C(=O)C2(O)CCOCC2)C[C@H]1N1CCOCC1 ZINC000330001150 287128722 /nfs/dbraw/zinc/12/87/22/287128722.db2.gz AANALLFWCOWSAP-ZIAGYGMSSA-N 0 0 312.410 0.097 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)NC[C@H](CO)C2CC2)cs1 ZINC000358307673 287206320 /nfs/dbraw/zinc/20/63/20/287206320.db2.gz OARLYIDRDZZIKG-SNVBAGLBSA-N 0 0 303.405 0.900 10 0 DCAERN CN(Cc1cc[nH]n1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400021416 287231487 /nfs/dbraw/zinc/23/14/87/287231487.db2.gz CFQFOEHOVHVZBF-JTQLQIEISA-N 0 0 300.384 0.040 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccn(C3CCCC3)n2)[C@@H]1C(N)=O ZINC000408060206 287233163 /nfs/dbraw/zinc/23/31/63/287233163.db2.gz CLJAAHAQVKWOHE-MFKMUULPSA-N 0 0 306.366 0.713 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@@](O)(C(F)(F)F)C1)[nH]c2=O ZINC000408258638 287233470 /nfs/dbraw/zinc/23/34/70/287233470.db2.gz ZFBRVLZAMVIPJV-JTQLQIEISA-N 0 0 303.244 0.572 10 0 DCAERN CCN1CC[C@@H](NC(=O)Nc2ccc(C(=O)OC)nn2)C1=O ZINC000619802990 412409965 /nfs/dbraw/zinc/40/99/65/412409965.db2.gz UKJYNXDLWOCMJS-MRVPVSSYSA-N 0 0 307.310 0.006 10 0 DCAERN Cc1cccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000134177229 196368817 /nfs/dbraw/zinc/36/88/17/196368817.db2.gz IQDJBTAYPUFDMA-ZDUSSCGKSA-N 0 0 311.407 0.820 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000265700239 415133916 /nfs/dbraw/zinc/13/39/16/415133916.db2.gz QIMQFVZEUPREGG-MFKMUULPSA-N 0 0 311.359 0.472 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC000041593550 415201556 /nfs/dbraw/zinc/20/15/56/415201556.db2.gz SUMKPSRTTHPPCU-UHFFFAOYSA-N 0 0 309.410 0.716 10 0 DCAERN NC(=O)c1cccc(CN2C(=O)N[C@]3(CCSC3)C2=O)c1 ZINC000047438508 415270422 /nfs/dbraw/zinc/27/04/22/415270422.db2.gz OGGRAYNDSVNDCB-AWEZNQCLSA-N 0 0 305.359 0.713 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000047705687 415277810 /nfs/dbraw/zinc/27/78/10/415277810.db2.gz GPYJYMVSQKLSJZ-CYBMUJFWSA-N 0 0 305.378 0.770 10 0 DCAERN COCCCCNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000063877265 415352736 /nfs/dbraw/zinc/35/27/36/415352736.db2.gz SMLYBPRUNDOVRX-UHFFFAOYSA-N 0 0 306.409 0.860 10 0 DCAERN CNC(=O)CNC(=O)NCCc1csc(N2CCCC2)n1 ZINC000073501010 415424706 /nfs/dbraw/zinc/42/47/06/415424706.db2.gz GQSMCBLNUZBSTB-UHFFFAOYSA-N 0 0 311.411 0.331 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000275398482 415375782 /nfs/dbraw/zinc/37/57/82/415375782.db2.gz NFJCFFGKBNKJRA-SMDDNHRTSA-N 0 0 319.365 0.365 10 0 DCAERN Cc1ccc(C(=O)N2CCN(c3cncc4ncnn43)CC2)cn1 ZINC000275546375 415375966 /nfs/dbraw/zinc/37/59/66/415375966.db2.gz DUUTYLWOIRKKFK-UHFFFAOYSA-N 0 0 323.360 0.790 10 0 DCAERN CCN1CCN(c2ccc(C(=O)NCC(N)=O)cc2F)CC1 ZINC000067266325 415376857 /nfs/dbraw/zinc/37/68/57/415376857.db2.gz LLAFANSKOBPFPO-UHFFFAOYSA-N 0 0 308.357 0.183 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC000275385196 415378302 /nfs/dbraw/zinc/37/83/02/415378302.db2.gz MHVZXVDUDIMRGX-MELADBBJSA-N 0 0 308.382 0.087 10 0 DCAERN Cc1nc(C2CCCC2)sc1C(=O)N(CC(N)=O)CC(N)=O ZINC000079946727 415474723 /nfs/dbraw/zinc/47/47/23/415474723.db2.gz MVTYGJLICGVXLE-UHFFFAOYSA-N 0 0 324.406 0.522 10 0 DCAERN Cn1ccnc(NC(=O)Cn2cnc3ccccc3c2=O)c1=O ZINC000080793094 415479751 /nfs/dbraw/zinc/47/97/51/415479751.db2.gz XVYGDTQONDVZRQ-UHFFFAOYSA-N 0 0 311.301 0.129 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000085357276 415506046 /nfs/dbraw/zinc/50/60/46/415506046.db2.gz MUJNJGZYLMTPHR-UHFFFAOYSA-N 0 0 312.329 0.975 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000332937559 415508592 /nfs/dbraw/zinc/50/85/92/415508592.db2.gz HGVAMEYSVVIHBJ-JOYOIKCWSA-N 0 0 304.437 0.282 10 0 DCAERN COC(=O)[C@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701122 415543573 /nfs/dbraw/zinc/54/35/73/415543573.db2.gz WIIWWJDTRPQUNC-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C[C@@H]1N1CCOCC1 ZINC000333109523 415560149 /nfs/dbraw/zinc/56/01/49/415560149.db2.gz RUSOTQQPPYZIFR-SYQHCUMBSA-N 0 0 324.425 0.016 10 0 DCAERN O=C(CN1CC(=O)N(C2CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000333319204 415609758 /nfs/dbraw/zinc/60/97/58/415609758.db2.gz PBZNIDDOGLMBMT-KGLIPLIRSA-N 0 0 307.394 0.421 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCNC(=O)CC2)c1 ZINC000103230989 415614326 /nfs/dbraw/zinc/61/43/26/415614326.db2.gz HLYFRJBYVIFKMI-CQSZACIVSA-N 0 0 306.362 0.451 10 0 DCAERN COC[C@H](C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000103431830 415617622 /nfs/dbraw/zinc/61/76/22/415617622.db2.gz DSGUHCFUUSXNEF-CABZTGNLSA-N 0 0 323.315 0.959 10 0 DCAERN CC(C)c1nnc([C@H]2COCCN2S(=O)(=O)C2COC2)o1 ZINC000333392884 415635062 /nfs/dbraw/zinc/63/50/62/415635062.db2.gz ZOCWCAWXMCKDEN-SNVBAGLBSA-N 0 0 317.367 0.295 10 0 DCAERN CNC(=O)NC1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333405831 415637451 /nfs/dbraw/zinc/63/74/51/415637451.db2.gz QOBNJOLZIULONP-MDZLAQPJSA-N 0 0 315.439 0.898 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000333418688 415644455 /nfs/dbraw/zinc/64/44/55/415644455.db2.gz SETMKXDBNGRFHY-BZPMIXESSA-N 0 0 303.378 0.523 10 0 DCAERN O=S(=O)(NC[C@H]1CCCS1(=O)=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333187184 415578209 /nfs/dbraw/zinc/57/82/09/415578209.db2.gz RBPQSIBZDBJQFE-KXNHARMFSA-N 0 0 307.437 0.672 10 0 DCAERN O=S(=O)(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333187186 415578984 /nfs/dbraw/zinc/57/89/84/415578984.db2.gz RBPQSIBZDBJQFE-RHYQMDGZSA-N 0 0 307.437 0.672 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)CCO1 ZINC000333462829 415656562 /nfs/dbraw/zinc/65/65/62/415656562.db2.gz LZXNIPKKNWTLME-UPJWGTAASA-N 0 0 314.411 0.812 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)C[C@@H](C)c1nccs1 ZINC000333472923 415662226 /nfs/dbraw/zinc/66/22/26/415662226.db2.gz REFQAJUXIIVMDM-ADEWGFFLSA-N 0 0 311.407 0.687 10 0 DCAERN CCc1nc(CNC(=O)NCCNS(C)(=O)=O)cs1 ZINC000107730204 415672913 /nfs/dbraw/zinc/67/29/13/415672913.db2.gz IXRDFUVLKJCPET-UHFFFAOYSA-N 0 0 306.413 0.054 10 0 DCAERN C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000333542545 415678392 /nfs/dbraw/zinc/67/83/92/415678392.db2.gz JKKCHHLUDWFAND-UWVGGRQHSA-N 0 0 322.331 0.543 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000333576719 415687553 /nfs/dbraw/zinc/68/75/53/415687553.db2.gz NFJLAUNMTNTGAT-AAVRWANBSA-N 0 0 323.393 0.589 10 0 DCAERN CCOCCN1CCN(CC(=O)NCc2cccnc2)C[C@@H]1C ZINC000111228088 415694310 /nfs/dbraw/zinc/69/43/10/415694310.db2.gz OXSLVKJMAPZQET-HNNXBMFYSA-N 0 0 320.437 0.740 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866690 196596968 /nfs/dbraw/zinc/59/69/68/196596968.db2.gz JCEYHLABXOWRTL-NWDGAFQWSA-N 0 0 308.382 0.704 10 0 DCAERN CC(C)CCc1nnc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1C ZINC000333739816 415727594 /nfs/dbraw/zinc/72/75/94/415727594.db2.gz VOGIINMRFMFBQV-RYUDHWBXSA-N 0 0 307.398 0.497 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCc2ccccc2C1=O)N1CCN(C)CC1 ZINC000333759286 415731340 /nfs/dbraw/zinc/73/13/40/415731340.db2.gz VHUFMMAPBZXPSI-CJNGLKHVSA-N 0 0 315.417 0.936 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N[C@H]3CCc4ncnn4C3)nc2n1 ZINC000112655805 415711404 /nfs/dbraw/zinc/71/14/04/415711404.db2.gz JBXWFKYRVBJYFM-JTQLQIEISA-N 0 0 312.337 0.077 10 0 DCAERN CN1C(=O)NCC12CCN(Cc1cn(CC3CC3)nn1)CC2 ZINC000333666400 415711526 /nfs/dbraw/zinc/71/15/26/415711526.db2.gz BYCLTSQXPNTWFA-UHFFFAOYSA-N 0 0 304.398 0.678 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nocc1C ZINC000119520500 415747511 /nfs/dbraw/zinc/74/75/11/415747511.db2.gz LPURXRQDSBPYRO-NSHDSACASA-N 0 0 322.365 0.781 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120514482 415769157 /nfs/dbraw/zinc/76/91/57/415769157.db2.gz GXWZANHFAFVBIP-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120536788 415776319 /nfs/dbraw/zinc/77/63/19/415776319.db2.gz BTGBIWINSOOXFR-UONOGXRCSA-N 0 0 305.378 0.948 10 0 DCAERN CN(C)c1ncccc1CNC(=O)c1cc(C(N)=O)cn1C ZINC000120095056 415755706 /nfs/dbraw/zinc/75/57/06/415755706.db2.gz PZOJBRDBPZDDCY-UHFFFAOYSA-N 0 0 301.350 0.515 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000122959196 415835843 /nfs/dbraw/zinc/83/58/43/415835843.db2.gz IUXKQOGAAZKHPU-VXGBXAGGSA-N 0 0 306.428 0.589 10 0 DCAERN COC(=O)CCN(CC(C)C)C(=O)c1cc(C(N)=O)cn1C ZINC000123874652 415846088 /nfs/dbraw/zinc/84/60/88/415846088.db2.gz DPEKACXGXWUEGD-UHFFFAOYSA-N 0 0 309.366 0.785 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000124683504 415852103 /nfs/dbraw/zinc/85/21/03/415852103.db2.gz QSTHYFPBJVJOOY-BDAKNGLRSA-N 0 0 323.315 0.428 10 0 DCAERN Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1-n1cccc1 ZINC000124140367 415849067 /nfs/dbraw/zinc/84/90/67/415849067.db2.gz AIZIQSGSAMZXHQ-KGLIPLIRSA-N 0 0 315.377 0.366 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000120849358 415785888 /nfs/dbraw/zinc/78/58/88/415785888.db2.gz GCDYRCOUKMGACR-MRVPVSSYSA-N 0 0 317.267 0.983 10 0 DCAERN CC(C)(CN1CCOCC1)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000334113578 415810112 /nfs/dbraw/zinc/81/01/12/415810112.db2.gz FCBQBJXOPFWAAA-GFCCVEGCSA-N 0 0 321.425 0.677 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCc1ccc(O)c(F)c1 ZINC000127135674 415883271 /nfs/dbraw/zinc/88/32/71/415883271.db2.gz DOELWSMHTBZEAS-UHFFFAOYSA-N 0 0 303.293 0.973 10 0 DCAERN CCC[C@@H](CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)OC ZINC000295436375 415892172 /nfs/dbraw/zinc/89/21/72/415892172.db2.gz NVOXECDEOGSUHG-ZDUSSCGKSA-N 0 0 320.393 0.563 10 0 DCAERN O=S(=O)(NCCC[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000127906286 415893322 /nfs/dbraw/zinc/89/33/22/415893322.db2.gz ZEBCXEUFCCONAD-STQMWFEESA-N 0 0 306.428 0.484 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000128254821 415894721 /nfs/dbraw/zinc/89/47/21/415894721.db2.gz LVSWKALOYSQUNY-CHWSQXEVSA-N 0 0 322.409 0.452 10 0 DCAERN CCOCCOCC(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000128145449 415896215 /nfs/dbraw/zinc/89/62/15/415896215.db2.gz NHDAHBUDQTXZCH-UHFFFAOYSA-N 0 0 305.338 0.962 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000131618134 415930462 /nfs/dbraw/zinc/93/04/62/415930462.db2.gz MSIYKMLYRJZVKB-ZANVPECISA-N 0 0 310.379 0.491 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000130630597 415921881 /nfs/dbraw/zinc/92/18/81/415921881.db2.gz ZREZYUYGNRVDAA-OLZOCXBDSA-N 0 0 312.391 0.628 10 0 DCAERN CCN(CC1CC1)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000124790293 415852384 /nfs/dbraw/zinc/85/23/84/415852384.db2.gz USQSYBACTBIISL-UHFFFAOYSA-N 0 0 314.349 0.859 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293329958 415853949 /nfs/dbraw/zinc/85/39/49/415853949.db2.gz YAZSLFNSRUMURK-SECBINFHSA-N 0 0 301.346 0.877 10 0 DCAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N1CCNC(=O)CC1 ZINC000133726267 415948842 /nfs/dbraw/zinc/94/88/42/415948842.db2.gz LVVGKWWBNLUGHW-UHFFFAOYSA-N 0 0 300.318 0.455 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000153134141 415976269 /nfs/dbraw/zinc/97/62/69/415976269.db2.gz MXXIQWOVQKAETJ-LLVKDONJSA-N 0 0 324.352 0.637 10 0 DCAERN CN(C)c1nc(CN2CCC[C@H]2CN2CCOCC2)ns1 ZINC000153870021 415987078 /nfs/dbraw/zinc/98/70/78/415987078.db2.gz OAQQGSILAVWZQY-LBPRGKRZSA-N 0 0 311.455 0.901 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000155116302 415993290 /nfs/dbraw/zinc/99/32/90/415993290.db2.gz LGHSGZKTRPJZNN-LLVKDONJSA-N 0 0 317.349 0.388 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCCSCC2)C1 ZINC000132810079 415934838 /nfs/dbraw/zinc/93/48/38/415934838.db2.gz JWTGPUMCVRXXFW-LLVKDONJSA-N 0 0 300.428 0.939 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCN1CC(F)F ZINC000132875033 415936429 /nfs/dbraw/zinc/93/64/29/415936429.db2.gz HAXYRITUZHKAKV-SNVBAGLBSA-N 0 0 322.381 0.770 10 0 DCAERN CN(CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)S(C)(=O)=O ZINC000174542557 416079498 /nfs/dbraw/zinc/07/94/98/416079498.db2.gz NLKBJTVLUGOWEH-ZDUSSCGKSA-N 0 0 318.439 0.828 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000172612017 416046665 /nfs/dbraw/zinc/04/66/65/416046665.db2.gz IQOPAOKGFJPDIJ-NEPJUHHUSA-N 0 0 324.402 0.944 10 0 DCAERN CC1(C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@@H]2CCO[C@@H]21 ZINC000172594557 416047397 /nfs/dbraw/zinc/04/73/97/416047397.db2.gz XYCDPSPDRIBMGD-XQQFMLRXSA-N 0 0 324.402 0.877 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O ZINC000172973478 416051331 /nfs/dbraw/zinc/05/13/31/416051331.db2.gz SSYKSHTXDDSVIJ-GFCCVEGCSA-N 0 0 314.407 0.599 10 0 DCAERN COCc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000173092915 416052900 /nfs/dbraw/zinc/05/29/00/416052900.db2.gz KSGIKTFHBZHWBT-NSHDSACASA-N 0 0 307.310 0.461 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(C)(CO)CO ZINC000357251669 416053611 /nfs/dbraw/zinc/05/36/11/416053611.db2.gz CFOJXEBEZZSQKB-LBPRGKRZSA-N 0 0 308.378 0.254 10 0 DCAERN Cc1noc(CCC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)n1 ZINC000173601345 416061905 /nfs/dbraw/zinc/06/19/05/416061905.db2.gz FOVCTLXHILUMMY-SNVBAGLBSA-N 0 0 306.326 0.337 10 0 DCAERN COC(=O)CSCCNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000357329731 416062821 /nfs/dbraw/zinc/06/28/21/416062821.db2.gz FNVFMMDMGRXTIN-LLVKDONJSA-N 0 0 324.402 0.827 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)[nH]1 ZINC000173735039 416063840 /nfs/dbraw/zinc/06/38/40/416063840.db2.gz RRHVWJZYNDZIKK-JTQLQIEISA-N 0 0 303.388 0.071 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000173767405 416064293 /nfs/dbraw/zinc/06/42/93/416064293.db2.gz DHVXZZTVRKRDKR-TUAOUCFPSA-N 0 0 314.411 0.421 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173801533 416065422 /nfs/dbraw/zinc/06/54/22/416065422.db2.gz HUFSNSPJLYNSRS-JSGCOSHPSA-N 0 0 321.425 0.906 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173780553 416065879 /nfs/dbraw/zinc/06/58/79/416065879.db2.gz JBLJZSSQAWIHJF-AWEZNQCLSA-N 0 0 318.377 0.724 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173908733 416067051 /nfs/dbraw/zinc/06/70/51/416067051.db2.gz QCABSCDJLRBHRZ-INIZCTEOSA-N 0 0 319.405 0.795 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173861715 416067470 /nfs/dbraw/zinc/06/74/70/416067470.db2.gz IQVBJQKWVVHXNO-WBMJQRKESA-N 0 0 320.437 0.759 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1 ZINC000357363773 416068265 /nfs/dbraw/zinc/06/82/65/416068265.db2.gz MGGVXLGNQTVWQN-UMSGYPCISA-N 0 0 300.424 0.759 10 0 DCAERN C[C@@H](CNC(=O)NCCS(N)(=O)=O)c1ccc(F)cc1F ZINC000174033381 416072355 /nfs/dbraw/zinc/07/23/55/416072355.db2.gz NYGFXAHWZIPTQJ-QMMMGPOBSA-N 0 0 321.349 0.656 10 0 DCAERN CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337733300 416003340 /nfs/dbraw/zinc/00/33/40/416003340.db2.gz PIAXGRIYXXONFQ-NWDGAFQWSA-N 0 0 304.412 0.580 10 0 DCAERN CCc1nnc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)[nH]1 ZINC000158979576 416005700 /nfs/dbraw/zinc/00/57/00/416005700.db2.gz WMXLBRWZKRJCKY-LLVKDONJSA-N 0 0 313.427 0.367 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1nccn1CC(C)C ZINC000159016866 416006066 /nfs/dbraw/zinc/00/60/66/416006066.db2.gz MIOJCSPIDNGTCQ-GFCCVEGCSA-N 0 0 307.398 0.959 10 0 DCAERN CNc1nnc(CC(=O)NC[C@H](C)N2CCCCC2=O)s1 ZINC000356974938 416015102 /nfs/dbraw/zinc/01/51/02/416015102.db2.gz HHVMPTUXQVYRFV-VIFPVBQESA-N 0 0 311.411 0.640 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000163610914 416015909 /nfs/dbraw/zinc/01/59/09/416015909.db2.gz WKNDVMVXZXODPU-SCZZXKLOSA-N 0 0 322.365 0.596 10 0 DCAERN COc1cccc([C@H]2CN(CC(=O)N3CCOCC3)CCO2)c1 ZINC000167579824 416022627 /nfs/dbraw/zinc/02/26/27/416022627.db2.gz MFGIPCKAKPDLMS-MRXNPFEDSA-N 0 0 320.389 0.927 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000170823313 416034756 /nfs/dbraw/zinc/03/47/56/416034756.db2.gz CUUJCAMAUROHQH-MFKMUULPSA-N 0 0 316.361 0.086 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145486 416037123 /nfs/dbraw/zinc/03/71/23/416037123.db2.gz BWZVDUAWJDSFAD-ZRQQLDRUSA-N 0 0 315.395 0.905 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](O)C(F)F)CC2 ZINC000357142418 416037305 /nfs/dbraw/zinc/03/73/05/416037305.db2.gz OJUMPXJZNFAGDA-RKDXNWHRSA-N 0 0 317.340 0.642 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCO[C@H](C)C1 ZINC000171267458 416037684 /nfs/dbraw/zinc/03/76/84/416037684.db2.gz AFTAFYBVBSNBOX-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CCOc1ccnc(N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000174741923 416085507 /nfs/dbraw/zinc/08/55/07/416085507.db2.gz DJFJTPDKDPQJPT-UHFFFAOYSA-N 0 0 316.365 0.296 10 0 DCAERN COCC[C@H](COC)NC(=O)c1nn(C)cc1Br ZINC000357484714 416088183 /nfs/dbraw/zinc/08/81/83/416088183.db2.gz NDQCMZPDTUVKPE-MRVPVSSYSA-N 0 0 320.187 0.964 10 0 DCAERN COc1ccc(Cc2noc(-c3cn(CC(N)=O)nn3)n2)cc1 ZINC000174833334 416088782 /nfs/dbraw/zinc/08/87/82/416088782.db2.gz DSLRXIFRDMODNS-UHFFFAOYSA-N 0 0 314.305 0.413 10 0 DCAERN CNC(=O)[C@H](Nc1cc(N2CCC[C@H](CO)C2)ncn1)C(C)C ZINC000301784089 416091532 /nfs/dbraw/zinc/09/15/32/416091532.db2.gz OGMPDHKWWNLRHA-SWLSCSKDSA-N 0 0 321.425 0.868 10 0 DCAERN Cc1nnc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)n1C ZINC000357523066 416092122 /nfs/dbraw/zinc/09/21/22/416092122.db2.gz PHVRALFLADYLRJ-SNVBAGLBSA-N 0 0 301.350 0.558 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCO3)C2=O)n(C)n1 ZINC000174973933 416093046 /nfs/dbraw/zinc/09/30/46/416093046.db2.gz UGYLOIKLIDULDF-VXGBXAGGSA-N 0 0 306.366 0.519 10 0 DCAERN COC[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999428 416093731 /nfs/dbraw/zinc/09/37/31/416093731.db2.gz GUWLADLXGMPMMK-JQWIXIFHSA-N 0 0 308.382 0.623 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCN([C@@H](C)C(N)=O)CC2)n1 ZINC000301947131 416098368 /nfs/dbraw/zinc/09/83/68/416098368.db2.gz HJSIYLBBAKMPNC-NSHDSACASA-N 0 0 321.429 0.057 10 0 DCAERN OCc1cn(CCCNc2ncnc3c(F)cccc23)nn1 ZINC000357602575 416104028 /nfs/dbraw/zinc/10/40/28/416104028.db2.gz GHHYMQGZQDDWSD-UHFFFAOYSA-N 0 0 302.313 1.355 10 0 DCAERN Cn1cc(N2CCC[C@H](NS(=O)(=O)CCCF)C2)cn1 ZINC000175589500 416109976 /nfs/dbraw/zinc/10/99/76/416109976.db2.gz SVIQCIWAGNQTLD-NSHDSACASA-N 0 0 304.391 0.668 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2nc[nH]n2)cc1 ZINC000176215948 416122623 /nfs/dbraw/zinc/12/26/23/416122623.db2.gz XIBLCULFBNERPC-VIFPVBQESA-N 0 0 303.322 0.421 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000176284124 416124415 /nfs/dbraw/zinc/12/44/15/416124415.db2.gz FJWWGNODHUXBJY-UONOGXRCSA-N 0 0 319.409 0.986 10 0 DCAERN c1cc(N[C@@H]2CCCOC2)nc(NCc2nnc3n2CCC3)n1 ZINC000328632603 416125556 /nfs/dbraw/zinc/12/55/56/416125556.db2.gz LLHILCBKVTWXRZ-LLVKDONJSA-N 0 0 315.381 1.217 10 0 DCAERN COCCCOC1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000176506172 416126865 /nfs/dbraw/zinc/12/68/65/416126865.db2.gz VFOVWSQOTIIYGU-UHFFFAOYSA-N 0 0 305.334 0.734 10 0 DCAERN COCCCOC1CN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000176501528 416127202 /nfs/dbraw/zinc/12/72/02/416127202.db2.gz GBJYOZHSYKVTOJ-UHFFFAOYSA-N 0 0 310.350 0.663 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)[C@@H](C)C1 ZINC000357831851 416138342 /nfs/dbraw/zinc/13/83/42/416138342.db2.gz GNRDDKZAPSUANQ-QWRGUYRKSA-N 0 0 319.427 0.072 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@H](C)C1 ZINC000357839406 416139688 /nfs/dbraw/zinc/13/96/88/416139688.db2.gz YBTFMTUYBAHSHC-OIMNJJJWSA-N 0 0 322.409 0.258 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CCc3nnc[nH]3)CCO2)[nH]1 ZINC000177236602 416142385 /nfs/dbraw/zinc/14/23/85/416142385.db2.gz RNSJQLLRZUIEND-VIFPVBQESA-N 0 0 305.342 0.018 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000177531432 416147424 /nfs/dbraw/zinc/14/74/24/416147424.db2.gz NDZVSGNCLAJSJR-MNOVXSKESA-N 0 0 307.350 0.023 10 0 DCAERN CC(C)=C(F)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000177679212 416149087 /nfs/dbraw/zinc/14/90/87/416149087.db2.gz CCMGNWIDPOQXMY-GFCCVEGCSA-N 0 0 313.373 0.299 10 0 DCAERN C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1nnnn1C(C)(C)C ZINC000329091849 416149188 /nfs/dbraw/zinc/14/91/88/416149188.db2.gz XBNKWYGFJXCCDB-QWHCGFSZSA-N 0 0 308.430 0.723 10 0 DCAERN CCC[C@H](O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000177859846 416152552 /nfs/dbraw/zinc/15/25/52/416152552.db2.gz SVFFRQCIFPIWRP-AWEZNQCLSA-N 0 0 308.426 0.909 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000177877119 416153140 /nfs/dbraw/zinc/15/31/40/416153140.db2.gz OHXLRTVTVQEXSF-CQSZACIVSA-N 0 0 319.405 0.482 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000182840147 416233020 /nfs/dbraw/zinc/23/30/20/416233020.db2.gz UAEUIODGTVOHQV-MRXNPFEDSA-N 0 0 319.361 0.300 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000178718540 416170599 /nfs/dbraw/zinc/17/05/99/416170599.db2.gz XXCFVCSAPLAGFL-XPKDYRNWSA-N 0 0 318.373 0.256 10 0 DCAERN COC[C@](C)(CCO)NC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000182880756 416233233 /nfs/dbraw/zinc/23/32/33/416233233.db2.gz PNNKWYNEXFITNW-LRDDRELGSA-N 0 0 314.426 0.975 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178963851 416179107 /nfs/dbraw/zinc/17/91/07/416179107.db2.gz RYARMRMYDMTWDL-LBPRGKRZSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1F ZINC000178967127 416179309 /nfs/dbraw/zinc/17/93/09/416179309.db2.gz CKURGXOQVTZIRQ-CYBMUJFWSA-N 0 0 320.368 0.189 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)C(C)C ZINC000179069610 416180672 /nfs/dbraw/zinc/18/06/72/416180672.db2.gz QVFHAVCSPVXIMK-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN Nc1ccnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000179212610 416184021 /nfs/dbraw/zinc/18/40/21/416184021.db2.gz XAYINSHDRKCQIA-HNNXBMFYSA-N 0 0 313.405 0.910 10 0 DCAERN CCc1nc(CCNC(=O)C(=O)NCc2ccn(C)n2)cs1 ZINC000358059249 416184260 /nfs/dbraw/zinc/18/42/60/416184260.db2.gz IOOUJLPTHJGNKY-UHFFFAOYSA-N 0 0 321.406 0.414 10 0 DCAERN COc1n[nH]c(NC(=O)Cn2c(=O)cnc3ccccc32)n1 ZINC000179376617 416187305 /nfs/dbraw/zinc/18/73/05/416187305.db2.gz RJZUGBWCCNBOOG-UHFFFAOYSA-N 0 0 300.278 0.162 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCCN(C2CC2)CC1 ZINC000179416255 416187363 /nfs/dbraw/zinc/18/73/63/416187363.db2.gz CWZZQEJBTVKPLW-UHFFFAOYSA-N 0 0 302.440 0.896 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cnc(C)nc1C)CC2 ZINC000180414897 416195200 /nfs/dbraw/zinc/19/52/00/416195200.db2.gz MQATVOWHLIZZTE-LLVKDONJSA-N 0 0 300.366 0.992 10 0 DCAERN COCC[C@@H](COC)NC(=O)c1cncc(N2CCOCC2)c1 ZINC000358411858 416233990 /nfs/dbraw/zinc/23/39/90/416233990.db2.gz KMFQCFFKMFTPBW-AWEZNQCLSA-N 0 0 323.393 0.700 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C)C2 ZINC000181104971 416204779 /nfs/dbraw/zinc/20/47/79/416204779.db2.gz JNPRXDWXUJWXQF-LQJRIPTKSA-N 0 0 301.346 0.943 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)C[C@H]([NH3+])c2ccccc2)cn1 ZINC000181400463 416206523 /nfs/dbraw/zinc/20/65/23/416206523.db2.gz IZIAFWILOLWVQL-HOTGVXAUSA-N 0 0 313.405 0.983 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181384183 416206770 /nfs/dbraw/zinc/20/67/70/416206770.db2.gz QUIDWDMMNDXSEG-SNVBAGLBSA-N 0 0 304.358 0.668 10 0 DCAERN CC(C)COC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000181479286 416208053 /nfs/dbraw/zinc/20/80/53/416208053.db2.gz QQIWJPIOYIUFGW-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181410258 416208283 /nfs/dbraw/zinc/20/82/83/416208283.db2.gz LCKVZGLKLKDJBQ-OCCSQVGLSA-N 0 0 310.398 0.335 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 ZINC000181621011 416210249 /nfs/dbraw/zinc/21/02/49/416210249.db2.gz XSVDSAIFHSREBD-AWEZNQCLSA-N 0 0 323.368 0.915 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000358208101 416212360 /nfs/dbraw/zinc/21/23/60/416212360.db2.gz FHUADQPYYFUGHX-CQSZACIVSA-N 0 0 320.393 0.604 10 0 DCAERN Cn1nnc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc21 ZINC000182286736 416217032 /nfs/dbraw/zinc/21/70/32/416217032.db2.gz FNMBNYPIZTWTNB-UHFFFAOYSA-N 0 0 317.393 0.809 10 0 DCAERN C[C@@H](NC(=O)NCc1cccnc1-n1cccn1)c1nc[nH]n1 ZINC000182322849 416219369 /nfs/dbraw/zinc/21/93/69/416219369.db2.gz RVFNAORLXGLJOZ-SNVBAGLBSA-N 0 0 312.337 0.946 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182330885 416220083 /nfs/dbraw/zinc/22/00/83/416220083.db2.gz ZEGYVEDTPUJFCV-NSHDSACASA-N 0 0 323.397 0.790 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1nc[nH]n1 ZINC000182392763 416220560 /nfs/dbraw/zinc/22/05/60/416220560.db2.gz UAWKEAOWBBJAPS-QWRGUYRKSA-N 0 0 316.369 0.624 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H](CO)C1CC1 ZINC000358303200 416221121 /nfs/dbraw/zinc/22/11/21/416221121.db2.gz KGJWQROQBFQRSI-ZDUSSCGKSA-N 0 0 308.353 0.619 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1cccnc1N1CCOCC1 ZINC000358300127 416221366 /nfs/dbraw/zinc/22/13/66/416221366.db2.gz HJCUGALBZOHMAG-CYBMUJFWSA-N 0 0 305.378 0.667 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358293325 416222635 /nfs/dbraw/zinc/22/26/35/416222635.db2.gz AGVDTJYCPUEUIP-ZDUSSCGKSA-N 0 0 306.362 0.689 10 0 DCAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)[C@H](C)CO ZINC000182470456 416224094 /nfs/dbraw/zinc/22/40/94/416224094.db2.gz XMIPQACMIGHQSP-NXEZZACHSA-N 0 0 317.411 0.022 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc21 ZINC000182540977 416225914 /nfs/dbraw/zinc/22/59/14/416225914.db2.gz BGDJWRWODHHLTL-CYBMUJFWSA-N 0 0 313.361 0.852 10 0 DCAERN CCc1cnccc1C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000182559978 416225989 /nfs/dbraw/zinc/22/59/89/416225989.db2.gz USYILUZGWLAROI-BDJLRTHQSA-N 0 0 316.361 0.752 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)NC[C@@H](CO)C1CC1 ZINC000358365165 416229386 /nfs/dbraw/zinc/22/93/86/416229386.db2.gz ZKLYMVCRZLHICS-RYUDHWBXSA-N 0 0 302.440 0.769 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@H]1OC ZINC000341746650 416229717 /nfs/dbraw/zinc/22/97/17/416229717.db2.gz APJGIQZBIVPSCO-CHWSQXEVSA-N 0 0 307.350 0.751 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182704945 416230296 /nfs/dbraw/zinc/23/02/96/416230296.db2.gz JXYCFUBGSSPIDR-ZIAGYGMSSA-N 0 0 307.398 0.977 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)CC2CCCC2)C1 ZINC000178342854 416163160 /nfs/dbraw/zinc/16/31/60/416163160.db2.gz OMODGSNRWCWXRW-NSHDSACASA-N 0 0 310.441 0.130 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)[C@H](C)OC)CC2 ZINC000358816927 416277793 /nfs/dbraw/zinc/27/77/93/416277793.db2.gz YCEDVFBSRZAMED-OUAUKWLOSA-N 0 0 311.386 0.462 10 0 DCAERN Cc1cc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n[nH]1 ZINC000187209860 416259884 /nfs/dbraw/zinc/25/98/84/416259884.db2.gz OYADWDAFKPWKLA-UHFFFAOYSA-N 0 0 304.354 0.775 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187293686 416260636 /nfs/dbraw/zinc/26/06/36/416260636.db2.gz SXYBTFGIVIXWOU-UHFFFAOYSA-N 0 0 313.304 0.989 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000188771071 416264566 /nfs/dbraw/zinc/26/45/66/416264566.db2.gz CUGYWKWPXRTCIS-ZIAGYGMSSA-N 0 0 311.426 0.160 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N(C)CCC(=O)NC)cc1F ZINC000189500030 416265716 /nfs/dbraw/zinc/26/57/16/416265716.db2.gz BECRNEQRSPKGCR-UHFFFAOYSA-N 0 0 309.341 0.921 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)Nc1ccccc1F ZINC000189596017 416268704 /nfs/dbraw/zinc/26/87/04/416268704.db2.gz PEWRRMZPYWUTFQ-OCCSQVGLSA-N 0 0 310.325 0.763 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(C(C)=O)C[C@H]1C)C1CCCC1 ZINC000358690958 416269875 /nfs/dbraw/zinc/26/98/75/416269875.db2.gz OSNXGZALWOCMEM-IAQYHMDHSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[C@@H]1CCO ZINC000190238236 416275412 /nfs/dbraw/zinc/27/54/12/416275412.db2.gz MGQKSZAGFKANQZ-HUUCEWRRSA-N 0 0 313.442 0.949 10 0 DCAERN O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCC[C@@H]1CCO ZINC000190238274 416276417 /nfs/dbraw/zinc/27/64/17/416276417.db2.gz MGQKSZAGFKANQZ-CABCVRRESA-N 0 0 313.442 0.949 10 0 DCAERN CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192514790 416307625 /nfs/dbraw/zinc/30/76/25/416307625.db2.gz PMYUJUKYPVMBTC-UHFFFAOYSA-N 0 0 316.361 0.995 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000358827107 416280259 /nfs/dbraw/zinc/28/02/59/416280259.db2.gz PRUPOFXTIVMFGS-SECBINFHSA-N 0 0 313.370 0.755 10 0 DCAERN C[C@@H](O)CN(CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)CO ZINC000190829359 416283213 /nfs/dbraw/zinc/28/32/13/416283213.db2.gz BSMQHOFSNKNBFF-VHSXEESVSA-N 0 0 302.321 0.967 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000190790515 416283863 /nfs/dbraw/zinc/28/38/63/416283863.db2.gz MTTWPTOASVETSC-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN COc1cccc(CCNC(=O)NCc2nc(N(C)C)no2)n1 ZINC000358897160 416291013 /nfs/dbraw/zinc/29/10/13/416291013.db2.gz YBDVLONLIYSHHL-UHFFFAOYSA-N 0 0 320.353 0.581 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(CCO)C1CC1 ZINC000191989373 416295440 /nfs/dbraw/zinc/29/54/40/416295440.db2.gz RTYPAQNITLXUDF-SNVBAGLBSA-N 0 0 306.366 0.776 10 0 DCAERN C[C@H]1CN=C(N2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200632 416322756 /nfs/dbraw/zinc/32/27/56/416322756.db2.gz COQBVFJWNJUGKB-NWDGAFQWSA-N 0 0 324.450 0.681 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000192100795 416299709 /nfs/dbraw/zinc/29/97/09/416299709.db2.gz VHJZJRJTRHDYQM-SECBINFHSA-N 0 0 319.365 0.140 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)CS(C)(=O)=O ZINC000262078250 416336094 /nfs/dbraw/zinc/33/60/94/416336094.db2.gz XKZNPXBNMKDCSE-GFCCVEGCSA-N 0 0 312.391 0.213 10 0 DCAERN Cc1nccc(C[S@](=O)CCCN2C(=O)NC(C)(C)C2=O)n1 ZINC000359328136 416341922 /nfs/dbraw/zinc/34/19/22/416341922.db2.gz BBLHENJAQYYNCQ-JOCHJYFZSA-N 0 0 324.406 0.754 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCC(F)(F)C2)CCO1 ZINC000359451698 416346656 /nfs/dbraw/zinc/34/66/56/416346656.db2.gz COAZXVGVXFDZEP-ZJUUUORDSA-N 0 0 305.325 0.721 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)[C@@H]2CN(CC)CCO2)no1 ZINC000359490983 416347930 /nfs/dbraw/zinc/34/79/30/416347930.db2.gz CAOWZEHJXZBMBZ-MNOVXSKESA-N 0 0 312.370 0.504 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2ncc(C)o2)c1 ZINC000359550165 416350231 /nfs/dbraw/zinc/35/02/31/416350231.db2.gz YLTXMOWYCFABDG-UHFFFAOYSA-N 0 0 309.347 0.821 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccc(N(C)C)nc1 ZINC000359676518 416352394 /nfs/dbraw/zinc/35/23/94/416352394.db2.gz LOAJBGCMTIPLHV-AWEZNQCLSA-N 0 0 310.354 0.583 10 0 DCAERN C[C@@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000195166596 416325339 /nfs/dbraw/zinc/32/53/39/416325339.db2.gz RQPNIOXAWKBYJU-MFKMUULPSA-N 0 0 312.391 0.772 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N1CCCC1=O ZINC000195153715 416325376 /nfs/dbraw/zinc/32/53/76/416325376.db2.gz DXLDYRXSOBCIOV-HNNXBMFYSA-N 0 0 323.437 0.960 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@@H]1CC ZINC000195262463 416325672 /nfs/dbraw/zinc/32/56/72/416325672.db2.gz RJXPMMNWPQUKBY-KGLIPLIRSA-N 0 0 322.471 0.784 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000245596065 416331276 /nfs/dbraw/zinc/33/12/76/416331276.db2.gz IPDRBHBYQWWGBM-OUAUKWLOSA-N 0 0 311.386 0.886 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000246428293 416331993 /nfs/dbraw/zinc/33/19/93/416331993.db2.gz LBARWBOSHIPJTA-AAEUAGOBSA-N 0 0 308.382 0.574 10 0 DCAERN O=C(CNS(=O)(=O)c1ccccc1)NC[C@H](CO)C1CC1 ZINC000359822339 416360652 /nfs/dbraw/zinc/36/06/52/416360652.db2.gz MKZPYYUFAAAGNH-GFCCVEGCSA-N 0 0 312.391 0.100 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC[C@H](CO)C1CC1 ZINC000359822707 416360912 /nfs/dbraw/zinc/36/09/12/416360912.db2.gz NPHOWCKZTWTGKD-CJNGLKHVSA-N 0 0 308.378 0.042 10 0 DCAERN COC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000360317994 416385726 /nfs/dbraw/zinc/38/57/26/416385726.db2.gz RYPFOYYNIAGTJS-SGMGOOAPSA-N 0 0 312.410 0.801 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N[C@@H](C(N)=O)C(C)C)no1 ZINC000360437262 416390420 /nfs/dbraw/zinc/39/04/20/416390420.db2.gz LXDBIKHXBZOJRF-PSASIEDQSA-N 0 0 313.358 0.476 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NCCCNC(=O)C2CCC2)n1 ZINC000360526683 416394433 /nfs/dbraw/zinc/39/44/33/416394433.db2.gz UZVFKUFPZWYUIV-UHFFFAOYSA-N 0 0 322.413 1.461 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000360591558 416398218 /nfs/dbraw/zinc/39/82/18/416398218.db2.gz PURORKFMPJJLKN-ZDUSSCGKSA-N 0 0 305.330 0.398 10 0 DCAERN COc1cccc(C(=O)NCC(=O)Nc2cnccc2CO)c1 ZINC000360600582 416398611 /nfs/dbraw/zinc/39/86/11/416398611.db2.gz TXBHZQYMWVBBRS-UHFFFAOYSA-N 0 0 315.329 0.951 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CCO1 ZINC000360698556 416404428 /nfs/dbraw/zinc/40/44/28/416404428.db2.gz DIQGEZQDCWCGSD-GFCCVEGCSA-N 0 0 317.349 0.219 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711388 416404555 /nfs/dbraw/zinc/40/45/55/416404555.db2.gz FRVRLQMEAYPJRM-UHFFFAOYSA-N 0 0 300.326 0.428 10 0 DCAERN O=C(NCCNS(=O)(=O)c1cccnc1)N1CCC12CCC2 ZINC000533010646 416467260 /nfs/dbraw/zinc/46/72/60/416467260.db2.gz RACLPQDKSJUSCS-UHFFFAOYSA-N 0 0 324.406 0.698 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)N3CC(=O)N[C@H](C)C3)nc2c1 ZINC000458485287 416473719 /nfs/dbraw/zinc/47/37/19/416473719.db2.gz OJJFCCVKPMHWIA-SNVBAGLBSA-N 0 0 301.350 0.901 10 0 DCAERN O=S(=O)(c1ccco1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000583616342 416477171 /nfs/dbraw/zinc/47/71/71/416477171.db2.gz HUXAWUWWGUFSGG-IJLUTSLNSA-N 0 0 301.364 0.830 10 0 DCAERN Cc1nn(C)c(Cl)c1CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617470 416477276 /nfs/dbraw/zinc/47/72/76/416477276.db2.gz WOZHMDBHLRJDJU-CYBMUJFWSA-N 0 0 310.789 0.984 10 0 DCAERN OC[C@@H]1C[C@H](F)CN1c1cc(N2C[C@@H](F)C[C@H]2CO)ncn1 ZINC000583617611 416478002 /nfs/dbraw/zinc/47/80/02/416478002.db2.gz LTLYHHNELASIAK-BJDJZHNGSA-N 0 0 314.336 0.295 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000533205546 416481036 /nfs/dbraw/zinc/48/10/36/416481036.db2.gz UDGAHRNLOCLTBJ-UHFFFAOYSA-N 0 0 318.385 0.863 10 0 DCAERN COc1cc(C)cc(CNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458567115 416481716 /nfs/dbraw/zinc/48/17/16/416481716.db2.gz IQTWWXQZWXOHJY-ZDUSSCGKSA-N 0 0 319.365 0.455 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(OC)C2CC2)C1 ZINC000361551701 416445867 /nfs/dbraw/zinc/44/58/67/416445867.db2.gz QKKPKDNGBFZJQB-SWLSCSKDSA-N 0 0 312.414 0.905 10 0 DCAERN C/C=C\C[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)OCC ZINC000361546377 416446113 /nfs/dbraw/zinc/44/61/13/416446113.db2.gz SLEHWQQLRAALNB-VLWUPBBWSA-N 0 0 305.396 0.825 10 0 DCAERN COC1(CNC(=O)NC[C@H](O)Cn2ccnn2)CCCCC1 ZINC000458685171 416490416 /nfs/dbraw/zinc/49/04/16/416490416.db2.gz WAGDPLOFBKORSO-LBPRGKRZSA-N 0 0 311.386 0.288 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000586783940 416521130 /nfs/dbraw/zinc/52/11/30/416521130.db2.gz PZLPSXKIBMXQLA-UHFFFAOYSA-N 0 0 319.369 0.966 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(CC)C[C@@H](C)OC)C1 ZINC000362096382 416561627 /nfs/dbraw/zinc/56/16/27/416561627.db2.gz BPGFXYFTBXVRBB-NEPJUHHUSA-N 0 0 300.403 0.857 10 0 DCAERN COc1nc(NC[C@@H](O)C(F)F)nc(N2CCCCCC2)n1 ZINC000435605578 416525492 /nfs/dbraw/zinc/52/54/92/416525492.db2.gz SOQNCWJNCOLCQU-SECBINFHSA-N 0 0 317.340 0.720 10 0 DCAERN Cn1ncc2cc(C(=O)N3CCSC[C@H]3CCO)cnc21 ZINC000535797487 416531658 /nfs/dbraw/zinc/53/16/58/416531658.db2.gz BWAQVWREHXOSSY-GFCCVEGCSA-N 0 0 306.391 0.908 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(CC(=O)NCC3CC3)CCO2)n1 ZINC000591902316 416535852 /nfs/dbraw/zinc/53/58/52/416535852.db2.gz UMNUYEYOXIAVMI-CQSZACIVSA-N 0 0 307.398 0.122 10 0 DCAERN CCS(=O)(=O)CC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362026843 416546859 /nfs/dbraw/zinc/54/68/59/416546859.db2.gz NCMIKXUWYSLGRJ-LLVKDONJSA-N 0 0 313.375 0.767 10 0 DCAERN COc1cccc(CCNC(=O)N(CCO)C2CCOCC2)n1 ZINC000436222692 416552770 /nfs/dbraw/zinc/55/27/70/416552770.db2.gz DDAZYZCUGAHPOL-UHFFFAOYSA-N 0 0 323.393 0.816 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000537510825 416557942 /nfs/dbraw/zinc/55/79/42/416557942.db2.gz ZIQXICLYJAHQQW-UHFFFAOYSA-N 0 0 314.407 0.542 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000361777008 416493263 /nfs/dbraw/zinc/49/32/63/416493263.db2.gz QSCPVHUIUDYPLA-NWDGAFQWSA-N 0 0 313.423 0.377 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](NC(N)=O)C2)[C@@H]2CCCO[C@H]21 ZINC000534260415 416494321 /nfs/dbraw/zinc/49/43/21/416494321.db2.gz SAZMAXIQBQNAJK-NNYUYHANSA-N 0 0 310.398 0.642 10 0 DCAERN CNC(=O)CCNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434794022 416496966 /nfs/dbraw/zinc/49/69/66/416496966.db2.gz MGDIGZCFQUFWCR-MRVPVSSYSA-N 0 0 324.406 0.459 10 0 DCAERN CCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000361825958 416505441 /nfs/dbraw/zinc/50/54/41/416505441.db2.gz PPUOAVSKYZGFAD-LBPRGKRZSA-N 0 0 320.393 0.971 10 0 DCAERN Cn1cc(N2CCN(C(=O)c3cccc4ncnn43)CC2)cn1 ZINC000541567373 416608726 /nfs/dbraw/zinc/60/87/26/416608726.db2.gz SOXBDEMJDILDRX-UHFFFAOYSA-N 0 0 311.349 0.425 10 0 DCAERN O=C(c1cnc2c(c1)NC(=O)CO2)N1CCSC[C@H]1CCO ZINC000538898237 416574758 /nfs/dbraw/zinc/57/47/58/416574758.db2.gz CBCYDXGIOFFCKC-SNVBAGLBSA-N 0 0 323.374 0.353 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2cnc(C)nc2N)C12CCOCC2 ZINC000548114696 416685046 /nfs/dbraw/zinc/68/50/46/416685046.db2.gz HNFMRBZLFDEBGG-CHWSQXEVSA-N 0 0 320.393 1.071 10 0 DCAERN CC[C@@H](O)CCCNC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000441942153 416683061 /nfs/dbraw/zinc/68/30/61/416683061.db2.gz BEUYPRCWKZATEX-GFCCVEGCSA-N 0 0 308.382 0.753 10 0 DCAERN Cc1nc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)no1 ZINC000541903516 416618676 /nfs/dbraw/zinc/61/86/76/416618676.db2.gz AJMWAXUMXXCFNM-UHFFFAOYSA-N 0 0 321.337 0.201 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089635 416627100 /nfs/dbraw/zinc/62/71/00/416627100.db2.gz DQRPLVUNENKHRO-TZNOJPMFSA-N 0 0 302.352 0.992 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)c2cn3cccnc3n2)n1 ZINC000547985737 416683779 /nfs/dbraw/zinc/68/37/79/416683779.db2.gz KCUJJIDUXLDYDT-SNVBAGLBSA-N 0 0 300.322 1.386 10 0 DCAERN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543428055 416641040 /nfs/dbraw/zinc/64/10/40/416641040.db2.gz ZTRWWSXQOKDTGC-MNOVXSKESA-N 0 0 322.390 0.815 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)Cn2nc3ccccn3c2=O)n1 ZINC000544111919 416651244 /nfs/dbraw/zinc/65/12/44/416651244.db2.gz HXIIXRUUEUUWNU-UHFFFAOYSA-N 0 0 315.337 0.481 10 0 DCAERN COC[C@H](NC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C(C)C ZINC000544159467 416651977 /nfs/dbraw/zinc/65/19/77/416651977.db2.gz KLDRRHCMCGKPHM-JTQLQIEISA-N 0 0 311.386 0.759 10 0 DCAERN COc1cccc(NC(=O)CN(C)C(=O)CN(C)CCCO)c1 ZINC000440947103 416654317 /nfs/dbraw/zinc/65/43/17/416654317.db2.gz XGYJTJNOSDTMRY-UHFFFAOYSA-N 0 0 323.393 0.406 10 0 DCAERN Cc1cc(NC(=O)N2CCN3CCOC[C@H]3C2)c(=O)n(C)c1 ZINC000544607955 416656502 /nfs/dbraw/zinc/65/65/02/416656502.db2.gz IHXDUIVNTDBWJU-GFCCVEGCSA-N 0 0 306.366 0.242 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000545130438 416662112 /nfs/dbraw/zinc/66/21/12/416662112.db2.gz YGRYVZDYLFILOC-GFCCVEGCSA-N 0 0 301.412 0.125 10 0 DCAERN COc1cccc(CCNC(=O)N2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000441451565 416672654 /nfs/dbraw/zinc/67/26/54/416672654.db2.gz UJMCRIBAFJNZEZ-AWEZNQCLSA-N 0 0 320.393 0.799 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000545308843 416672723 /nfs/dbraw/zinc/67/27/23/416672723.db2.gz OSVUAJPTIBGPTP-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN CCN(CC(=O)OC)Cc1csc(CS(C)(=O)=O)n1 ZINC000441490532 416673920 /nfs/dbraw/zinc/67/39/20/416673920.db2.gz LIWYKZOFVZWNAG-UHFFFAOYSA-N 0 0 306.409 0.683 10 0 DCAERN NC(=O)c1ccc(OCCC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000368599502 416673946 /nfs/dbraw/zinc/67/39/46/416673946.db2.gz ANGUHQHJVXEVKV-UHFFFAOYSA-N 0 0 315.333 0.229 10 0 DCAERN c1cn(CCCCNc2ccnc(N3CCOCC3)n2)cn1 ZINC000546051322 416676705 /nfs/dbraw/zinc/67/67/05/416676705.db2.gz MRKFQDSYCTWCAX-UHFFFAOYSA-N 0 0 302.382 1.402 10 0 DCAERN O=S(=O)(c1cncc(Cl)c1)N1CCN2CCOC[C@@H]2C1 ZINC000368733273 416687884 /nfs/dbraw/zinc/68/78/84/416687884.db2.gz RITIUNZUFVWMDC-NSHDSACASA-N 0 0 317.798 0.440 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1O ZINC000425293550 416689919 /nfs/dbraw/zinc/68/99/19/416689919.db2.gz KWVZNQDMBRPJEM-CYBMUJFWSA-N 0 0 322.361 0.018 10 0 DCAERN Cc1nc([C@@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C2CC2)no1 ZINC000515533995 416701980 /nfs/dbraw/zinc/70/19/80/416701980.db2.gz NLSHUOYIZUNAAS-KRTXAFLBSA-N 0 0 316.383 0.057 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCN2CCOC[C@@H]2C1 ZINC000554548591 416708749 /nfs/dbraw/zinc/70/87/49/416708749.db2.gz JCOGBVCTHFKILW-ZDUSSCGKSA-N 0 0 305.382 0.768 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)c2ccn(C)n2)(C(=O)OC)C1(C)C ZINC000614903917 416722013 /nfs/dbraw/zinc/72/20/13/416722013.db2.gz HYWFLAWVWWDCFP-NHYWBVRUSA-N 0 0 309.366 0.897 10 0 DCAERN CN(CCCO)C(=O)[C@H]1CC[C@H](C(=O)N(C)CCCO)CC1 ZINC000443002886 416725378 /nfs/dbraw/zinc/72/53/78/416725378.db2.gz TZGWBHIPQLEVKY-HDJSIYSDSA-N 0 0 314.426 0.474 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000369166076 416729511 /nfs/dbraw/zinc/72/95/11/416729511.db2.gz JXMPVHWIAVYANP-ZYHUDNBSSA-N 0 0 318.333 0.405 10 0 DCAERN CCn1c(=O)oc2cc(S(=O)(=O)N(C)CCCO)ccc21 ZINC000443093503 416732741 /nfs/dbraw/zinc/73/27/41/416732741.db2.gz MIJGJVNXAKUGEU-UHFFFAOYSA-N 0 0 314.363 0.617 10 0 DCAERN COCC1(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CCOCC1 ZINC000557538970 416737041 /nfs/dbraw/zinc/73/70/41/416737041.db2.gz ZDCZKMCXRDHAKB-CQSZACIVSA-N 0 0 322.409 0.960 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cncc3ncn(C)c32)[C@@H](C)C1 ZINC000631833303 416755792 /nfs/dbraw/zinc/75/57/92/416755792.db2.gz XONKNYRXDHUQSI-JTQLQIEISA-N 0 0 301.350 0.661 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)c1cnn2cccnc12 ZINC000623151529 416760377 /nfs/dbraw/zinc/76/03/77/416760377.db2.gz FBNYGWAENYMDGP-VXGBXAGGSA-N 0 0 312.333 0.723 10 0 DCAERN COc1ccc([C@@H]2OCC[C@H]2NC(=O)C2CN(C(C)=O)C2)cn1 ZINC000623163011 416761020 /nfs/dbraw/zinc/76/10/20/416761020.db2.gz QFPRDZGXAZDTCN-HIFRSBDPSA-N 0 0 319.361 0.515 10 0 DCAERN COCCn1cc(S(=O)(=O)NCCOCC2CCC2)cn1 ZINC000558650653 416782198 /nfs/dbraw/zinc/78/21/98/416782198.db2.gz IGDVDLVYMDGVEW-UHFFFAOYSA-N 0 0 317.411 0.625 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)CCOC(C)(C)C)CC1 ZINC000631906160 416790474 /nfs/dbraw/zinc/79/04/74/416790474.db2.gz FJQUHOSMNCZHFO-UHFFFAOYSA-N 0 0 320.455 0.979 10 0 DCAERN C[S@@](=O)c1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000370102348 416881908 /nfs/dbraw/zinc/88/19/08/416881908.db2.gz CBQYADLAXGSIJP-JLCFBVMHSA-N 0 0 322.430 0.510 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000370121637 416887040 /nfs/dbraw/zinc/88/70/40/416887040.db2.gz LMGCUOXMRQLHLF-XJKSGUPXSA-N 0 0 309.410 0.226 10 0 DCAERN CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)N1CCCC1=O ZINC000369816736 416833507 /nfs/dbraw/zinc/83/35/07/416833507.db2.gz GXDWOLXOMVVWOY-FDYHWXHSSA-N 0 0 307.394 0.513 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)N1C[C@@H](F)C[C@@H]1CO ZINC000444548887 416847417 /nfs/dbraw/zinc/84/74/17/416847417.db2.gz LVQVSXFMRHELCM-DTWKUNHWSA-N 0 0 311.338 0.389 10 0 DCAERN COCC(COC)S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000641537051 416908858 /nfs/dbraw/zinc/90/88/58/416908858.db2.gz SKSDKPVLSHZXPH-SRVKXCTJSA-N 0 0 307.412 0.070 10 0 DCAERN Cc1ccn(-c2ccc(N3CCN4CCOC[C@H]4C3)nn2)n1 ZINC000375851948 417015224 /nfs/dbraw/zinc/01/52/24/417015224.db2.gz VUNOPJJHVXZJBQ-CYBMUJFWSA-N 0 0 300.366 0.492 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ccncc3C)CC2)[nH]1 ZINC000565809005 417017839 /nfs/dbraw/zinc/01/78/39/417017839.db2.gz BXDMFRIUXUQAKB-UHFFFAOYSA-N 0 0 300.366 0.775 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2ccncc21 ZINC000447127542 416966228 /nfs/dbraw/zinc/96/62/28/416966228.db2.gz IJQOCTDLCPHYGX-UWVGGRQHSA-N 0 0 317.349 0.893 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000447224969 416972099 /nfs/dbraw/zinc/97/20/99/416972099.db2.gz YTPKDIXQQJMTTA-UHFFFAOYSA-N 0 0 315.333 0.617 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ncccc1OC(F)F ZINC000565397083 416974874 /nfs/dbraw/zinc/97/48/74/416974874.db2.gz MUCKJNRMHPGBHN-UHFFFAOYSA-N 0 0 301.249 0.480 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000447382256 416992716 /nfs/dbraw/zinc/99/27/16/416992716.db2.gz OTYYUTDJRKPVRF-VXNVDRBHSA-N 0 0 321.303 0.847 10 0 DCAERN COC[C@@](C)(O)CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000522111257 417046615 /nfs/dbraw/zinc/04/66/15/417046615.db2.gz VJSXPMUMCKSJHI-BBRMVZONSA-N 0 0 321.377 0.489 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)C(=O)NCCCC2CC2)n1 ZINC000566538680 417049448 /nfs/dbraw/zinc/04/94/48/417049448.db2.gz BUFOSMHSZBUMFI-NSHDSACASA-N 0 0 308.382 1.335 10 0 DCAERN C(Nc1nc2c(c(NCC3COC3)n1)SCC2)C1COC1 ZINC000624677234 417080765 /nfs/dbraw/zinc/08/07/65/417080765.db2.gz TYJSZVKYWBDGRR-UHFFFAOYSA-N 0 0 308.407 0.085 10 0 DCAERN CC(=O)Nc1cccc([C@H]2COCCCN2S(N)(=O)=O)c1 ZINC000616597315 417083342 /nfs/dbraw/zinc/08/33/42/417083342.db2.gz PADQFACFVMJVAH-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616595083 417084369 /nfs/dbraw/zinc/08/43/69/417084369.db2.gz QZARADZXMMNOTK-ZDUSSCGKSA-N 0 0 307.375 0.854 10 0 DCAERN COC(=O)[C@@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616646454 417088064 /nfs/dbraw/zinc/08/80/64/417088064.db2.gz WUNWMCXPILVHRE-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](S(C)(=O)=O)C1 ZINC000616649079 417088667 /nfs/dbraw/zinc/08/86/67/417088667.db2.gz UENQLKKZILFYMW-SNVBAGLBSA-N 0 0 308.400 0.214 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616657373 417089130 /nfs/dbraw/zinc/08/91/30/417089130.db2.gz BEDZOUTUQBCVIV-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1C[C@H](C(N)=O)Cc2ccccc21 ZINC000448887511 417105430 /nfs/dbraw/zinc/10/54/30/417105430.db2.gz SIVUCKQWBMCNGV-CQSZACIVSA-N 0 0 312.373 0.962 10 0 DCAERN COc1cccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c1O ZINC000616768537 417107279 /nfs/dbraw/zinc/10/72/79/417107279.db2.gz GRKLWSVOEXTIIL-MDZLAQPJSA-N 0 0 303.318 0.702 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2Cc3ccccc3S2)[C@@H]1C(N)=O ZINC000408064826 417137604 /nfs/dbraw/zinc/13/76/04/417137604.db2.gz YAIJAUOLJYAOOZ-ICCXJUOJSA-N 0 0 306.387 0.805 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2nc3c(s2)CCC3)no1 ZINC000568467526 417138435 /nfs/dbraw/zinc/13/84/35/417138435.db2.gz YOSNFTQYQCBKDI-UHFFFAOYSA-N 0 0 321.362 0.920 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000408074168 417140427 /nfs/dbraw/zinc/14/04/27/417140427.db2.gz ODRCAEYGYXZCJW-WXRRBKDZSA-N 0 0 309.410 0.938 10 0 DCAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H]2CCNC2=O)cc1 ZINC000616965931 417142479 /nfs/dbraw/zinc/14/24/79/417142479.db2.gz FOKVOOJUUXDZGW-DOMZBBRYSA-N 0 0 318.373 0.980 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408470424 287363359 /nfs/dbraw/zinc/36/33/59/287363359.db2.gz UVENXMCUPKESJO-REWJHTLYSA-N 0 0 322.405 0.781 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000408118702 417144232 /nfs/dbraw/zinc/14/42/32/417144232.db2.gz WCGHKADOLJZQGE-SNVBAGLBSA-N 0 0 302.327 0.009 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC(=O)N1 ZINC000408187941 417144964 /nfs/dbraw/zinc/14/49/64/417144964.db2.gz BEMQBZLOHSPTPC-TUAOUCFPSA-N 0 0 305.382 0.842 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408020188 299023143 /nfs/dbraw/zinc/02/31/43/299023143.db2.gz BYLCDWNHHIUHDU-RWMBFGLXSA-N 0 0 311.426 0.469 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@@H]1C ZINC000408183896 417146245 /nfs/dbraw/zinc/14/62/45/417146245.db2.gz URUHLLYUKLMQSC-AAEUAGOBSA-N 0 0 315.439 0.087 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000408332303 417155638 /nfs/dbraw/zinc/15/56/38/417155638.db2.gz RLWZNIDOMFGOPJ-ZJUUUORDSA-N 0 0 311.411 0.584 10 0 DCAERN Cn1c(NC[C@H]2CCC(C)(C)O2)nc2c1c(=O)[nH]c(=O)n2C ZINC000408360971 417155663 /nfs/dbraw/zinc/15/56/63/417155663.db2.gz BBTLXMLWUHVYJV-MRVPVSSYSA-N 0 0 307.354 0.742 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408413708 417158051 /nfs/dbraw/zinc/15/80/51/417158051.db2.gz CXMFPMBLKTUPDG-NWDGAFQWSA-N 0 0 305.382 0.876 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000568769226 417177437 /nfs/dbraw/zinc/17/74/37/417177437.db2.gz DELFBJYJBUNOLD-SMDDNHRTSA-N 0 0 313.375 0.660 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 ZINC000437784288 287364285 /nfs/dbraw/zinc/36/42/85/287364285.db2.gz JSDSFQZDQXKXLD-UHFFFAOYSA-N 0 0 321.337 0.376 10 0 DCAERN CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000526962342 417195237 /nfs/dbraw/zinc/19/52/37/417195237.db2.gz GXLKTPMWWYWWIM-IUCAKERBSA-N 0 0 322.408 0.036 10 0 DCAERN c1cnc(-c2ccnc(NCCCO[C@@H]3CCOC3)n2)cn1 ZINC000450383269 417225550 /nfs/dbraw/zinc/22/55/50/417225550.db2.gz ZNKIQPWTCOPIBD-GFCCVEGCSA-N 0 0 301.350 1.541 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)NC[C@H](C)N2CCCCC2=O)C1 ZINC000527257682 417228290 /nfs/dbraw/zinc/22/82/90/417228290.db2.gz HOFOPEPFJVGTGG-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN COCCn1nc(C(=O)Nc2ccc(O)c(OC)c2)ccc1=O ZINC000438085015 287367002 /nfs/dbraw/zinc/36/70/02/287367002.db2.gz LWKWPXVCBWWGRI-UHFFFAOYSA-N 0 0 319.317 0.856 10 0 DCAERN C/C=C/C[C@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)OCC ZINC000450918947 417284012 /nfs/dbraw/zinc/28/40/12/417284012.db2.gz XBLAYSRBYRTBBM-MALLOTDXSA-N 0 0 308.338 0.495 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000632916221 417293928 /nfs/dbraw/zinc/29/39/28/417293928.db2.gz WKXDPTUTURGFEL-SOUVJXGZSA-N 0 0 324.421 0.681 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncnc3n[nH]cc32)CC12COC2 ZINC000450568089 417238410 /nfs/dbraw/zinc/23/84/10/417238410.db2.gz UTMJXKATPHBRDM-SNVBAGLBSA-N 0 0 303.322 0.369 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cc(OCC)ncn2)CC12COC2 ZINC000450567142 417239333 /nfs/dbraw/zinc/23/93/33/417239333.db2.gz LMQSVKWMNJWWBG-LLVKDONJSA-N 0 0 307.350 0.891 10 0 DCAERN CCOC(=O)[C@H]1CN(c2nccn3c(C)nnc23)CC12COC2 ZINC000450574333 417239771 /nfs/dbraw/zinc/23/97/71/417239771.db2.gz ZZQQCHVMHZOXLG-LLVKDONJSA-N 0 0 317.349 0.449 10 0 DCAERN COC(=O)CCN1CCN(C(=O)Cc2cn(C)nc2C)C[C@H]1C ZINC000450593481 417243938 /nfs/dbraw/zinc/24/39/38/417243938.db2.gz QZXXMLPQZZVYGA-GFCCVEGCSA-N 0 0 322.409 0.367 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)N[C@H]3CN(C)NC3=O)cnc21 ZINC000450612869 417249458 /nfs/dbraw/zinc/24/94/58/417249458.db2.gz LMVHRJHALVUKOL-LBPRGKRZSA-N 0 0 316.365 0.162 10 0 DCAERN COc1cc(C(N)=O)ccc1NS(=O)(=O)N1CCC[C@@H]1C ZINC000451114187 417297817 /nfs/dbraw/zinc/29/78/17/417297817.db2.gz KCMLDAQDPJIEAP-VIFPVBQESA-N 0 0 313.379 0.935 10 0 DCAERN CC(C)c1[nH]nc(C(N)=O)c1NS(=O)(=O)N1CCC[C@H]1C ZINC000451117702 417302925 /nfs/dbraw/zinc/30/29/25/417302925.db2.gz UXQJWQZFDYOGMQ-MRVPVSSYSA-N 0 0 315.399 0.773 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(N3CCC3)nc2)[C@@H](C)C1 ZINC000621917110 417343831 /nfs/dbraw/zinc/34/38/31/417343831.db2.gz KYHKNMDASDJOBI-LBPRGKRZSA-N 0 0 302.378 0.985 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000633351337 417413939 /nfs/dbraw/zinc/41/39/39/417413939.db2.gz RHIGJLAHPXMZPU-AXFHLTTASA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000633381447 417417814 /nfs/dbraw/zinc/41/78/14/417417814.db2.gz CMLHZSXWCASMSJ-FZMZJTMJSA-N 0 0 318.377 0.844 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N2CCSCC2)CC12COC2 ZINC000451618181 417366483 /nfs/dbraw/zinc/36/64/83/417366483.db2.gz DINLSNBRASFPKO-LLVKDONJSA-N 0 0 314.407 0.667 10 0 DCAERN COc1ccc(NC(=O)C(=O)N(C)Cc2cnccn2)c(C)n1 ZINC000438787942 287375951 /nfs/dbraw/zinc/37/59/51/287375951.db2.gz TZTYXNRNTOEPPK-UHFFFAOYSA-N 0 0 315.333 0.786 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCc2ccn(C)n2)CC12COC2 ZINC000452217049 417459393 /nfs/dbraw/zinc/45/93/93/417459393.db2.gz BHHCZQWSMDYHSJ-CYBMUJFWSA-N 0 0 321.377 0.391 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)n2C)CC12COC2 ZINC000452221517 417460837 /nfs/dbraw/zinc/46/08/37/417460837.db2.gz IUSBNESVNCCJLJ-LBPRGKRZSA-N 0 0 306.362 0.985 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cncc(OC)n2)CC12COC2 ZINC000452265737 417465055 /nfs/dbraw/zinc/46/50/55/417465055.db2.gz QUORYXYXXBGHEP-JTQLQIEISA-N 0 0 321.333 0.137 10 0 DCAERN Cn1ncc2c1nc(N[C@H]1CCN(CC(F)(F)F)C1)[nH]c2=O ZINC000573941485 417475636 /nfs/dbraw/zinc/47/56/36/417475636.db2.gz TUXLLBLBJWHLNW-ZETCQYMHSA-N 0 0 316.287 1.117 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530073528 417537592 /nfs/dbraw/zinc/53/75/92/417537592.db2.gz RIDHMBMCHCUYCF-VOUMKBAESA-N 0 0 312.435 0.899 10 0 DCAERN CN(Cc1noc(C2CC2)n1)C(=O)C1(S(C)(=O)=O)CCC1 ZINC000622719204 417500620 /nfs/dbraw/zinc/50/06/20/417500620.db2.gz ZETDJFTVQBXHIH-UHFFFAOYSA-N 0 0 313.379 0.873 10 0 DCAERN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1 ZINC000622725749 417503161 /nfs/dbraw/zinc/50/31/61/417503161.db2.gz JEDKITWKVMNMPY-LBPRGKRZSA-N 0 0 313.361 0.784 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000575124622 417514692 /nfs/dbraw/zinc/51/46/92/417514692.db2.gz XCDVOAZVARITEI-VJQRDGCPSA-N 0 0 323.345 0.338 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000622978498 417521001 /nfs/dbraw/zinc/52/10/01/417521001.db2.gz DHJOOPXTMJEODN-ZDUSSCGKSA-N 0 0 309.410 0.939 10 0 DCAERN CO[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@H]1c1cn[nH]n1 ZINC000623031992 417527649 /nfs/dbraw/zinc/52/76/49/417527649.db2.gz CNWQBHWCUQAALR-GXTWGEPZSA-N 0 0 301.350 0.692 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccncc2C)CC12COC2 ZINC000455033779 417590727 /nfs/dbraw/zinc/59/07/27/417590727.db2.gz MAVFIYJPGDDVRY-GFCCVEGCSA-N 0 0 319.361 0.855 10 0 DCAERN COCC(COC)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000455433855 417605444 /nfs/dbraw/zinc/60/54/44/417605444.db2.gz WCLKYPISQTYPLZ-HNNXBMFYSA-N 0 0 316.398 0.627 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000530340382 417567860 /nfs/dbraw/zinc/56/78/60/417567860.db2.gz OSCTVJCOWQTNLC-YUMQZZPRSA-N 0 0 304.343 0.626 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000530357950 417572100 /nfs/dbraw/zinc/57/21/00/417572100.db2.gz QNWLNWUVOIRRDJ-LBPRGKRZSA-N 0 0 301.346 0.707 10 0 DCAERN O=C(NCC1(O)CCC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440053673 287393044 /nfs/dbraw/zinc/39/30/44/287393044.db2.gz QWXSRHBMCFRVSC-UHFFFAOYSA-N 0 0 317.345 0.393 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(C)(C)O)c1 ZINC000456098332 417625550 /nfs/dbraw/zinc/62/55/50/417625550.db2.gz MDACGVSMYKVMQS-SNVBAGLBSA-N 0 0 314.407 0.826 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000531567260 417628545 /nfs/dbraw/zinc/62/85/45/417628545.db2.gz GKFFTENPTWHOAT-UHFFFAOYSA-N 0 0 301.310 0.075 10 0 DCAERN CC(C)[C@@H](O)C(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456237542 417637401 /nfs/dbraw/zinc/63/74/01/417637401.db2.gz JMKWCZUCRVUMEO-OAHLLOKOSA-N 0 0 306.362 0.847 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC1(C)COC1 ZINC000635325366 417639017 /nfs/dbraw/zinc/63/90/17/417639017.db2.gz OMVPBLRIJPFWFV-UHFFFAOYSA-N 0 0 305.334 0.513 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628799186 417696767 /nfs/dbraw/zinc/69/67/67/417696767.db2.gz MJNMBNAZHPUUSS-SNVBAGLBSA-N 0 0 304.412 0.532 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000531842650 417644016 /nfs/dbraw/zinc/64/40/16/417644016.db2.gz VVXSBBLZOOCJCJ-MJBXVCDLSA-N 0 0 303.399 0.815 10 0 DCAERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(C)Cc1nnnn1C ZINC000532062485 417655278 /nfs/dbraw/zinc/65/52/78/417655278.db2.gz FKFNPZTZCUUSAO-DGCLKSJQSA-N 0 0 310.402 0.803 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000628584869 417659644 /nfs/dbraw/zinc/65/96/44/417659644.db2.gz TWBXFWCXJIBRRR-ZDUSSCGKSA-N 0 0 311.426 0.838 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000577100987 417663316 /nfs/dbraw/zinc/66/33/16/417663316.db2.gz GOKGAXYSUDJWLR-ZLDLUXBVSA-N 0 0 321.421 0.365 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000577100982 417664281 /nfs/dbraw/zinc/66/42/81/417664281.db2.gz GOKGAXYSUDJWLR-OSAQELSMSA-N 0 0 321.421 0.365 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)n1 ZINC000456898998 417669399 /nfs/dbraw/zinc/66/93/99/417669399.db2.gz IEBIAJYJZATWRV-CYBMUJFWSA-N 0 0 307.398 0.762 10 0 DCAERN CS(=O)(=O)C1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000456952130 417671942 /nfs/dbraw/zinc/67/19/42/417671942.db2.gz KRYKVBQCSXHZQR-UHFFFAOYSA-N 0 0 307.371 0.613 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Br)cn1 ZINC000629231213 417763251 /nfs/dbraw/zinc/76/32/51/417763251.db2.gz REEAKUWQWYCMAM-WCBMZHEXSA-N 0 0 301.140 0.724 10 0 DCAERN Cc1ccc(CCNC(=O)C(=O)N(C)Cc2cnccn2)o1 ZINC000580534625 417709781 /nfs/dbraw/zinc/70/97/81/417709781.db2.gz UYLZHTLDBNYHEJ-UHFFFAOYSA-N 0 0 302.334 0.695 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)CN(C)C(C)=O)(C(=O)OC)C1(C)C ZINC000440871514 287410892 /nfs/dbraw/zinc/41/08/92/287410892.db2.gz WCVMWYHCFFUMHN-IAQYHMDHSA-N 0 0 314.382 0.328 10 0 DCAERN O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000458120269 417723596 /nfs/dbraw/zinc/72/35/96/417723596.db2.gz DRARZVLWEIKLDU-SECBINFHSA-N 0 0 312.732 0.790 10 0 DCAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458132844 417724168 /nfs/dbraw/zinc/72/41/68/417724168.db2.gz HXTPXLGFVIAJQP-RDBSUJKOSA-N 0 0 310.398 0.741 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)c1ccc2c(n1)OCCO2 ZINC000653797727 418110012 /nfs/dbraw/zinc/11/00/12/418110012.db2.gz SNXVOPBQFYSSLY-NSHDSACASA-N 0 0 305.334 0.640 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451213586 287459795 /nfs/dbraw/zinc/45/97/95/287459795.db2.gz ANWZCCOMFBRSOW-BBRMVZONSA-N 0 0 309.410 0.953 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)n1C ZINC000487125262 287532262 /nfs/dbraw/zinc/53/22/62/287532262.db2.gz SNNYPQPIHOPYMT-QWRGUYRKSA-N 0 0 309.366 0.520 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1scnc1C ZINC000487124450 287532279 /nfs/dbraw/zinc/53/22/79/287532279.db2.gz RMHCYYBRXKICTE-DTWKUNHWSA-N 0 0 313.379 0.638 10 0 DCAERN Cn1cc([C@@H](CO)NCc2c(Br)cnn2C)cn1 ZINC000487536787 287538892 /nfs/dbraw/zinc/53/88/92/287538892.db2.gz LRZDXCBLEOFFKT-SNVBAGLBSA-N 0 0 314.187 0.739 10 0 DCAERN CCCn1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)cn1 ZINC000488305181 287548748 /nfs/dbraw/zinc/54/87/48/287548748.db2.gz DUSPFLKDOLJWRD-WDEREUQCSA-N 0 0 324.381 0.479 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccnc(C)c1 ZINC000488572017 287553894 /nfs/dbraw/zinc/55/38/94/287553894.db2.gz HYSAQJNRTSCNDZ-MNOVXSKESA-N 0 0 322.365 0.390 10 0 DCAERN C[C@@H](CCO)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489501035 287554354 /nfs/dbraw/zinc/55/43/54/287554354.db2.gz RIHZHLAMAIWQJW-LBPRGKRZSA-N 0 0 305.382 0.980 10 0 DCAERN CCC(CO)(CO)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489529390 287554935 /nfs/dbraw/zinc/55/49/35/287554935.db2.gz UXZGWNLTYPKFFG-UHFFFAOYSA-N 0 0 319.361 0.793 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccn1 ZINC000492210909 287571379 /nfs/dbraw/zinc/57/13/79/287571379.db2.gz PNVMLYRLLCNNSM-GHMZBOCLSA-N 0 0 322.365 0.337 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299445000 229120348 /nfs/dbraw/zinc/12/03/48/229120348.db2.gz YFIFSGRSUYFJHW-NSHDSACASA-N 0 0 305.378 0.903 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCCc2c1cnn2C ZINC000299578778 229228267 /nfs/dbraw/zinc/22/82/67/229228267.db2.gz BHRIFTZACFNTQC-PWSUYJOCSA-N 0 0 303.370 0.777 10 0 DCAERN Cn1cc([C@]2(C)CN(c3ccncc3C(N)=O)CCO2)cn1 ZINC000302014631 230035524 /nfs/dbraw/zinc/03/55/24/230035524.db2.gz FBZLXNJSKKFAAF-HNNXBMFYSA-N 0 0 301.350 0.666 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C ZINC000497132067 287638634 /nfs/dbraw/zinc/63/86/34/287638634.db2.gz PGAZQCWUNPEWDZ-UTUOFQBUSA-N 0 0 316.398 0.898 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)NCCCN1CCCC1=O ZINC000027480288 261104326 /nfs/dbraw/zinc/10/43/26/261104326.db2.gz HADVGMBMVGVEQQ-LLVKDONJSA-N 0 0 323.418 0.995 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCN3C(=O)CCC3=O)c2n1 ZINC000106025709 261108006 /nfs/dbraw/zinc/10/80/06/261108006.db2.gz ZSUKARXCHZHWAO-UHFFFAOYSA-N 0 0 315.333 0.307 10 0 DCAERN NC(=O)c1coc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)c1 ZINC000186612580 261121348 /nfs/dbraw/zinc/12/13/48/261121348.db2.gz LFUWRQWXOMPTID-UHFFFAOYSA-N 0 0 314.301 0.338 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cnn(CC(F)F)c1 ZINC000187733863 261125136 /nfs/dbraw/zinc/12/51/36/261125136.db2.gz LXJHKSXPMLJPNP-UHFFFAOYSA-N 0 0 320.325 0.108 10 0 DCAERN COc1ccsc1S(=O)(=O)NCc1cc(C(N)=O)co1 ZINC000188243118 261125785 /nfs/dbraw/zinc/12/57/85/261125785.db2.gz CISIKXKTDQXHCA-UHFFFAOYSA-N 0 0 316.360 0.927 10 0 DCAERN CSc1ccc(S(=O)(=O)N2CC(NC(C)=O)C2)cc1 ZINC000188546257 261128757 /nfs/dbraw/zinc/12/87/57/261128757.db2.gz UKAKGSJQZZOORP-UHFFFAOYSA-N 0 0 300.405 0.918 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)[C@@H]1CCCN1c1nccs1 ZINC000188517606 261128958 /nfs/dbraw/zinc/12/89/58/261128958.db2.gz SPLMDMAESFEQMS-QWRGUYRKSA-N 0 0 308.407 0.801 10 0 DCAERN CCOC(=O)[C@H](C)N(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000190813679 261135760 /nfs/dbraw/zinc/13/57/60/261135760.db2.gz CJWKXPCLSZHDRA-GXTWGEPZSA-N 0 0 300.399 0.096 10 0 DCAERN C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H](CO)O1 ZINC000190832042 261135881 /nfs/dbraw/zinc/13/58/81/261135881.db2.gz CGJUKACXOBJTIB-UWVGGRQHSA-N 0 0 303.318 0.145 10 0 DCAERN CN(C)c1ncccc1CNC(=O)C(=O)Nc1ccc(F)cn1 ZINC000192921101 261139571 /nfs/dbraw/zinc/13/95/71/261139571.db2.gz QZJYNOIFXGSESL-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN Cc1cc(C)n(-c2ccc(C(=O)NC(C)(C)C(N)=O)cn2)n1 ZINC000194141413 261145139 /nfs/dbraw/zinc/14/51/39/261145139.db2.gz ZSNXSLLWWVAVMB-UHFFFAOYSA-N 0 0 301.350 0.878 10 0 DCAERN COc1ccc(CCCNC(=O)[C@H]2CNC(=O)C2)cc1OC ZINC000194829088 261148841 /nfs/dbraw/zinc/14/88/41/261148841.db2.gz BLDROQDYFQIYMN-GFCCVEGCSA-N 0 0 306.362 0.889 10 0 DCAERN O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194791502 261148920 /nfs/dbraw/zinc/14/89/20/261148920.db2.gz CPOMLZURLBXTGU-LBPRGKRZSA-N 0 0 319.336 0.246 10 0 DCAERN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194831765 261148938 /nfs/dbraw/zinc/14/89/38/261148938.db2.gz QBFLCIPUVXKDEM-ZDUSSCGKSA-N 0 0 304.346 0.714 10 0 DCAERN CCCCOCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000195111936 261150481 /nfs/dbraw/zinc/15/04/81/261150481.db2.gz PPTHLNCLPYFOFN-UHFFFAOYSA-N 0 0 319.361 0.623 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@@H]3CC[C@@H](O)[C@@H]3C1)CS2 ZINC000228082080 261153445 /nfs/dbraw/zinc/15/34/45/261153445.db2.gz NNJQZRMSMYYTKQ-NQUGEPOWSA-N 0 0 310.419 0.670 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1cc(Br)ccc1O ZINC000235710507 261154999 /nfs/dbraw/zinc/15/49/99/261154999.db2.gz SBLUWZMZUAKMFO-LLVKDONJSA-N 0 0 304.140 0.628 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000332754169 261180572 /nfs/dbraw/zinc/18/05/72/261180572.db2.gz JRNSLMPLYHFNIH-DCAQKATOSA-N 0 0 313.423 0.329 10 0 DCAERN CCNC(=O)[C@H](NC(=O)[C@@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000354229932 261193525 /nfs/dbraw/zinc/19/35/25/261193525.db2.gz GTIADXYSAHAPGG-BNOWGMLFSA-N 0 0 322.409 0.775 10 0 DCAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2csnn2)C1 ZINC000354584750 261240693 /nfs/dbraw/zinc/24/06/93/261240693.db2.gz XASZHKCTQSNZNV-UHFFFAOYSA-N 0 0 310.379 0.596 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000357845827 261592421 /nfs/dbraw/zinc/59/24/21/261592421.db2.gz HDXVNPMOFUSVHE-WCQYABFASA-N 0 0 310.398 0.258 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C)c1ccccc1 ZINC000357961671 261606256 /nfs/dbraw/zinc/60/62/56/261606256.db2.gz WREXFOVFDFFUGD-QEJZJMRPSA-N 0 0 320.389 0.720 10 0 DCAERN COC[C@@H](NC(=O)C(=O)NCCC(C)(C)O)c1ccccc1 ZINC000357961627 261606636 /nfs/dbraw/zinc/60/66/36/261606636.db2.gz VTUWLEKKHGLYCB-CYBMUJFWSA-N 0 0 308.378 0.768 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)c1 ZINC000358078291 261627794 /nfs/dbraw/zinc/62/77/94/261627794.db2.gz PVDJRVZGVZTRNN-GXTWGEPZSA-N 0 0 305.378 0.944 10 0 DCAERN CCOC(=O)[C@H](NC(=O)Cn1nc(C)cc1C)[C@@H]1CCCOC1 ZINC000358189389 261644968 /nfs/dbraw/zinc/64/49/68/261644968.db2.gz IDFODLQKOPNNHX-UKRRQHHQSA-N 0 0 323.393 0.974 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CC(n2ccnn2)C1 ZINC000358466595 261672195 /nfs/dbraw/zinc/67/21/95/261672195.db2.gz YBLDZSHEFIRCAT-UHFFFAOYSA-N 0 0 300.322 0.774 10 0 DCAERN CN1CN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1=O ZINC000360466141 261835029 /nfs/dbraw/zinc/83/50/29/261835029.db2.gz GJUDXCQNMYNLBN-UHFFFAOYSA-N 0 0 316.405 0.062 10 0 DCAERN CN(CCOc1ccccc1F)C(=O)CN1CC(=O)N(C)C1 ZINC000360465439 261835104 /nfs/dbraw/zinc/83/51/04/261835104.db2.gz DLVLKGHCXKWDGA-UHFFFAOYSA-N 0 0 309.341 0.394 10 0 DCAERN CC[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](OC)C1)C1CCOCC1 ZINC000361105165 261898032 /nfs/dbraw/zinc/89/80/32/261898032.db2.gz VGBOMQWOXVQLJP-IHRRRGAJSA-N 0 0 312.410 0.992 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H](O)C(F)F ZINC000361847517 261967418 /nfs/dbraw/zinc/96/74/18/261967418.db2.gz DCDIZSWTZIIHDY-MRVPVSSYSA-N 0 0 304.297 0.224 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N2CCSC[C@H]2CCO)[C@@H]1OC ZINC000362108645 262000150 /nfs/dbraw/zinc/00/01/50/262000150.db2.gz GIUIIFWWNDLCNV-XQHKEYJVSA-N 0 0 318.439 0.688 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccco1 ZINC000362463420 262037572 /nfs/dbraw/zinc/03/75/72/262037572.db2.gz HFCRYJYQWXNHPV-NXEZZACHSA-N 0 0 311.338 0.535 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncc1 ZINC000362476138 262039706 /nfs/dbraw/zinc/03/97/06/262039706.db2.gz GHEYAQNNXTZFGC-ZJUUUORDSA-N 0 0 308.338 0.081 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncncc1Cl ZINC000362667148 262058235 /nfs/dbraw/zinc/05/82/35/262058235.db2.gz REXFHXXKXNOSNW-HTQZYQBOSA-N 0 0 300.746 0.998 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCO1 ZINC000363561371 262121348 /nfs/dbraw/zinc/12/13/48/262121348.db2.gz YLQPBCGARPJPTJ-KXNHARMFSA-N 0 0 312.366 0.383 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCc1ccc(Cl)cc1 ZINC000363793264 262130032 /nfs/dbraw/zinc/13/00/32/262130032.db2.gz HUAJYRVCXKVUFX-OAHLLOKOSA-N 0 0 323.824 0.973 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1C ZINC000363803752 262131500 /nfs/dbraw/zinc/13/15/00/262131500.db2.gz VCBVJKIQDHYSPX-HNNXBMFYSA-N 0 0 317.389 0.785 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3CCN4CCOC[C@@H]4C3)c12 ZINC000363829210 262132945 /nfs/dbraw/zinc/13/29/45/262132945.db2.gz WIDQQBPAHQDORQ-LBPRGKRZSA-N 0 0 316.361 0.996 10 0 DCAERN O=Cc1ccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363859376 262135272 /nfs/dbraw/zinc/13/52/72/262135272.db2.gz FVNSSQUCLPRGAK-AWEZNQCLSA-N 0 0 304.346 0.421 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000374163077 262157761 /nfs/dbraw/zinc/15/77/61/262157761.db2.gz SBQQDXIYQBZBJE-LBPRGKRZSA-N 0 0 314.411 0.413 10 0 DCAERN CC(=O)N1CCC(NC(=O)Nc2nccc(N(C)C)n2)CC1 ZINC000432430277 262644797 /nfs/dbraw/zinc/64/47/97/262644797.db2.gz ROIASDBCINGZAV-UHFFFAOYSA-N 0 0 306.370 0.675 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000433439334 262659030 /nfs/dbraw/zinc/65/90/30/262659030.db2.gz IRWGCOFRZZDHCY-HNNXBMFYSA-N 0 0 322.386 0.790 10 0 DCAERN O=C(NCCNC(=O)c1cccs1)NC[C@@H](CO)C1CC1 ZINC000358548411 271057545 /nfs/dbraw/zinc/05/75/45/271057545.db2.gz OSVYMUABIJENJI-NSHDSACASA-N 0 0 311.407 0.796 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)[C@H]2C1 ZINC000358929821 271082174 /nfs/dbraw/zinc/08/21/74/271082174.db2.gz FBLYZBRBAFSEQM-HZZBMVKVSA-N 0 0 311.426 0.950 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCC(OC)CC2)n1 ZINC000359240723 271110120 /nfs/dbraw/zinc/11/01/20/271110120.db2.gz OLUQRRBPMBGUBO-UHFFFAOYSA-N 0 0 321.377 0.386 10 0 DCAERN C[C@@H](CNC(=O)CCOc1ccc(F)cc1)S(N)(=O)=O ZINC000359558250 271125420 /nfs/dbraw/zinc/12/54/20/271125420.db2.gz AGZOZYOIMVOQHI-VIFPVBQESA-N 0 0 304.343 0.388 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359604112 271130136 /nfs/dbraw/zinc/13/01/36/271130136.db2.gz WFBFNMUOCDOLGQ-OKILXGFUSA-N 0 0 310.394 0.507 10 0 DCAERN CCCS(=O)(=O)NC1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359603529 271131617 /nfs/dbraw/zinc/13/16/17/271131617.db2.gz VRSQEBBYVDRAAQ-ZDUSSCGKSA-N 0 0 318.439 0.732 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359611383 271133337 /nfs/dbraw/zinc/13/33/37/271133337.db2.gz PFMGRJOSIJMRDT-SWLSCSKDSA-N 0 0 311.426 0.470 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](CO)C1CC1 ZINC000359772014 271142459 /nfs/dbraw/zinc/14/24/59/271142459.db2.gz CMCJRFIDAAPRLO-QWRGUYRKSA-N 0 0 306.428 0.085 10 0 DCAERN CO[C@@]1(CNC(=O)[C@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000359785892 271142838 /nfs/dbraw/zinc/14/28/38/271142838.db2.gz DQTCBGWNUTXAGT-BLLLJJGKSA-N 0 0 306.362 0.727 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN(C)Cc2nnnn2C)c1 ZINC000360027649 271159971 /nfs/dbraw/zinc/15/99/71/271159971.db2.gz NGCFVKXNILCJPM-UHFFFAOYSA-N 0 0 302.338 0.483 10 0 DCAERN Cn1cc(C(=O)NC[C@H]2CN(C)CCO2)c(-c2ccoc2)n1 ZINC000363931419 271209002 /nfs/dbraw/zinc/20/90/02/271209002.db2.gz RUTIESGZBNUIRT-LBPRGKRZSA-N 0 0 304.350 0.741 10 0 DCAERN CN1CCO[C@H](C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000367501021 271209888 /nfs/dbraw/zinc/20/98/88/271209888.db2.gz UCWGQRKXGYIEEO-NEPJUHHUSA-N 0 0 306.366 0.594 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@]2(O)CCO[C@@H]2C)n1 ZINC000434302167 271521458 /nfs/dbraw/zinc/52/14/58/271521458.db2.gz TYRRRQWFRZPEOO-ABAIWWIYSA-N 0 0 309.366 0.472 10 0 DCAERN COc1ccnc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000448288136 271819906 /nfs/dbraw/zinc/81/99/06/271819906.db2.gz UCQKGRXZKFYESJ-MRXNPFEDSA-N 0 0 317.345 0.319 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(C)nn2C)CC12COC2 ZINC000452261034 271912138 /nfs/dbraw/zinc/91/21/38/271912138.db2.gz LCIYOWNNTWWQNV-LLVKDONJSA-N 0 0 307.350 0.380 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@H](C)C(=O)OC)CC12COC2 ZINC000452250842 271912260 /nfs/dbraw/zinc/91/22/60/271912260.db2.gz CKOOMKVRXGOHTO-QWRGUYRKSA-N 0 0 313.350 0.224 10 0 DCAERN C[C@H](OC1CCCCCC1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458134311 271943455 /nfs/dbraw/zinc/94/34/55/271943455.db2.gz JAXHYCYEVUVTJX-STQMWFEESA-N 0 0 310.398 0.883 10 0 DCAERN CCCc1nc(C)c(C(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000458130004 271943578 /nfs/dbraw/zinc/94/35/78/271943578.db2.gz FMPDXGSJPAWBMH-JTQLQIEISA-N 0 0 309.395 0.786 10 0 DCAERN CSc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccc1F ZINC000458134234 271943650 /nfs/dbraw/zinc/94/36/50/271943650.db2.gz IQFBEOPTFKRZGP-JTQLQIEISA-N 0 0 310.354 0.930 10 0 DCAERN CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458136217 271943879 /nfs/dbraw/zinc/94/38/79/271943879.db2.gz KVXHAOUKWDEHPD-UONOGXRCSA-N 0 0 318.377 0.921 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@@H](O)Cn2ccnn2)cc(=O)[nH]1 ZINC000458143360 271944459 /nfs/dbraw/zinc/94/44/59/271944459.db2.gz PEDWRXCFUJPWDW-LLVKDONJSA-N 0 0 305.338 0.293 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458144058 271944648 /nfs/dbraw/zinc/94/46/48/271944648.db2.gz PTMNGLXAYWWXFQ-ZYHUDNBSSA-N 0 0 308.313 0.362 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(C)CCO)C[C@@H](c2ccccc2)O1 ZINC000459808984 272010726 /nfs/dbraw/zinc/01/07/26/272010726.db2.gz HFYYZXBBRAADQH-OCCSQVGLSA-N 0 0 306.362 0.426 10 0 DCAERN C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000460021662 272025259 /nfs/dbraw/zinc/02/52/59/272025259.db2.gz OMCWTZJMRFXZKR-BXKDBHETSA-N 0 0 324.299 0.150 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000466489499 272026746 /nfs/dbraw/zinc/02/67/46/272026746.db2.gz SFNXTDBOAZKTRO-GARJFASQSA-N 0 0 307.416 0.133 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC000487117860 272038214 /nfs/dbraw/zinc/03/82/14/272038214.db2.gz TVJLONBXECSSEJ-NXEZZACHSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H](C)COC ZINC000487165303 272038507 /nfs/dbraw/zinc/03/85/07/272038507.db2.gz YSSFTVWLCBKLEZ-DCAQKATOSA-N 0 0 302.371 0.232 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489336182 272060697 /nfs/dbraw/zinc/06/06/97/272060697.db2.gz VKAFQQPCQIIXLG-UHFFFAOYSA-N 0 0 318.381 0.486 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N1CCC[C@@H](O)C1 ZINC000489464684 272062604 /nfs/dbraw/zinc/06/26/04/272062604.db2.gz PQKLKLHWCNOZCC-GFCCVEGCSA-N 0 0 303.366 0.828 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Nc2cc(C)nn2C)CC1 ZINC000490811429 272081827 /nfs/dbraw/zinc/08/18/27/272081827.db2.gz MRTZHUZWKIEKLP-UHFFFAOYSA-N 0 0 323.397 0.830 10 0 DCAERN O=C(NC[C@H](O)C(F)F)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000494272478 272216101 /nfs/dbraw/zinc/21/61/01/272216101.db2.gz ZFZSTRGEJNSQLG-JTQLQIEISA-N 0 0 314.288 0.692 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000494388468 272221067 /nfs/dbraw/zinc/22/10/67/272221067.db2.gz UFHZOSRZPBLOKJ-UHFFFAOYSA-N 0 0 322.409 0.814 10 0 DCAERN CNC(=O)COc1cccc(CN[C@H](C(=O)OC)C2CC2)c1 ZINC000507246976 272394345 /nfs/dbraw/zinc/39/43/45/272394345.db2.gz LKXDPVYPNRXZQC-HNNXBMFYSA-N 0 0 306.362 0.853 10 0 DCAERN CC=CC[C@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O ZINC000516616073 272440437 /nfs/dbraw/zinc/44/04/37/272440437.db2.gz HUEHACJSFQZQTE-OTDNITJGSA-N 0 0 300.380 0.698 10 0 DCAERN COC[C@@H](C)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000516880063 272449620 /nfs/dbraw/zinc/44/96/20/272449620.db2.gz KSIDBOFRRIHQKK-AGIUHOORSA-N 0 0 300.399 0.888 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000526061895 272589699 /nfs/dbraw/zinc/58/96/99/272589699.db2.gz KRTMKBHTHBNULP-DTWKUNHWSA-N 0 0 303.384 0.418 10 0 DCAERN CN(C)c1ncn(-c2cccc(NC(=O)[C@@H]3COCCO3)c2)n1 ZINC000526069373 272590069 /nfs/dbraw/zinc/59/00/69/272590069.db2.gz GZSZCQYTUFWZIJ-ZDUSSCGKSA-N 0 0 317.349 0.687 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000529276093 272677963 /nfs/dbraw/zinc/67/79/63/272677963.db2.gz PMLSUZYDUKGRID-RISCZKNCSA-N 0 0 313.361 0.723 10 0 DCAERN CCn1nc(C)c(CNC(=O)N(C)Cc2nnnn2C)c1C ZINC000532315084 272783744 /nfs/dbraw/zinc/78/37/44/272783744.db2.gz YFERCNLPAXOQJZ-UHFFFAOYSA-N 0 0 306.374 0.385 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc2nnnn2c1 ZINC000532319781 272783991 /nfs/dbraw/zinc/78/39/91/272783991.db2.gz JVTHZBZOLLESQS-CYBMUJFWSA-N 0 0 322.328 0.660 10 0 DCAERN CCOCCOCCN(C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000190248810 276326523 /nfs/dbraw/zinc/32/65/23/276326523.db2.gz CBKHCAXLFNXOGB-CQSZACIVSA-N 0 0 324.425 0.819 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CC(=O)NCC(F)(F)F ZINC000540933087 287910958 /nfs/dbraw/zinc/91/09/58/287910958.db2.gz QKAYLTSIXSYOPS-VIFPVBQESA-N 0 0 324.299 0.998 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)n1 ZINC000541312927 287918447 /nfs/dbraw/zinc/91/84/47/287918447.db2.gz OPTSBUBAPFCUCN-NSHDSACASA-N 0 0 300.384 0.187 10 0 DCAERN O=C(c1ccnc(-n2cccn2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000541747986 287925440 /nfs/dbraw/zinc/92/54/40/287925440.db2.gz RVAXNDBUYDBIBQ-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408075258 276962398 /nfs/dbraw/zinc/96/23/98/276962398.db2.gz XMOXVHGKRJKPGD-CMPLNLGQSA-N 0 0 302.396 0.033 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC2(CCOCC2)C1 ZINC000370713169 277014040 /nfs/dbraw/zinc/01/40/40/277014040.db2.gz GMNJNLWBCDWGHZ-GFCCVEGCSA-N 0 0 314.407 0.316 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H]1C ZINC000248869498 277088821 /nfs/dbraw/zinc/08/88/21/277088821.db2.gz CRDYETOUSKJVMQ-SDDRHHMPSA-N 0 0 321.381 0.434 10 0 DCAERN CN1CCN(CC(=O)N2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC000248401131 277104129 /nfs/dbraw/zinc/10/41/29/277104129.db2.gz LNNXVBHZBAFFLV-CQSZACIVSA-N 0 0 302.378 0.527 10 0 DCAERN CN(C[C@@H]1CC=CCC1)C(=O)Cn1ncn2nccc2c1=O ZINC000543194834 287954799 /nfs/dbraw/zinc/95/47/99/287954799.db2.gz GEFDUCBLQXBMJA-GFCCVEGCSA-N 0 0 301.350 0.706 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)N[C@]1(CO)CCOC1 ZINC000544537113 287976493 /nfs/dbraw/zinc/97/64/93/287976493.db2.gz XRUVZHOZKDAYLA-INIZCTEOSA-N 0 0 321.377 0.796 10 0 DCAERN CCn1nc(C)c(CNC(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000544663907 287979633 /nfs/dbraw/zinc/97/96/33/287979633.db2.gz QLJSMYXGBZQGPV-CQSZACIVSA-N 0 0 321.425 0.746 10 0 DCAERN COC(=O)C[C@@]1(NC(=O)c2cn3cccnc3n2)CCOC1 ZINC000545243110 287990433 /nfs/dbraw/zinc/99/04/33/287990433.db2.gz DACWIIOIABGFHZ-AWEZNQCLSA-N 0 0 304.306 0.181 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1c1cccn1C ZINC000373329973 278007551 /nfs/dbraw/zinc/00/75/51/278007551.db2.gz AVMCUFUOCISWPO-CABCVRRESA-N 0 0 305.378 0.936 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC3(CCOCC3)[C@H]2C)C1 ZINC000408055961 278017677 /nfs/dbraw/zinc/01/76/77/278017677.db2.gz YYIZCOFJNXRQKK-DYVFJYSZSA-N 0 0 324.421 0.777 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000365961035 278025139 /nfs/dbraw/zinc/02/51/39/278025139.db2.gz MAJKQRZXQBKUHR-KBPBESRZSA-N 0 0 301.346 0.441 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)C1 ZINC000328966039 278050942 /nfs/dbraw/zinc/05/09/42/278050942.db2.gz MQGWANGFSHLHFY-KGLIPLIRSA-N 0 0 320.393 0.795 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCCC[C@H]1C[C@H](C)O ZINC000329379835 278068170 /nfs/dbraw/zinc/06/81/70/278068170.db2.gz NDPILQHHGMSLHE-CYUUQNCZSA-N 0 0 312.410 0.510 10 0 DCAERN CCc1nncn1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000545968835 288008407 /nfs/dbraw/zinc/00/84/07/288008407.db2.gz NNNQTCPZAKVQPP-CQSZACIVSA-N 0 0 317.393 0.916 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000408012348 278145167 /nfs/dbraw/zinc/14/51/67/278145167.db2.gz HDAGKKGRKLLIGH-YRGRVCCFSA-N 0 0 317.455 0.810 10 0 DCAERN Cc1nnc2n1C[C@@H](CNS(=O)(=O)N1CCC[C@H]1C)CC2 ZINC000546731951 288028824 /nfs/dbraw/zinc/02/88/24/288028824.db2.gz WWUAMUKANNNPCE-ZYHUDNBSSA-N 0 0 313.427 0.468 10 0 DCAERN CC(=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]12 ZINC000106380640 278221289 /nfs/dbraw/zinc/22/12/89/278221289.db2.gz QZKDRLZSJSWQPS-MTVMDMGHSA-N 0 0 302.323 0.946 10 0 DCAERN C[C@H]1CCCCN1CCNC(=O)N1CCS(=O)(=O)CC1 ZINC000408013830 278332698 /nfs/dbraw/zinc/33/26/98/278332698.db2.gz GJKQICAYLRDNLL-LBPRGKRZSA-N 0 0 303.428 0.301 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)Cc1nnnn1C ZINC000547491625 288052561 /nfs/dbraw/zinc/05/25/61/288052561.db2.gz GLDJJTHTSGPKKK-RYUDHWBXSA-N 0 0 310.402 0.945 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2ccc(N3CCOCC3)cn2)CC1 ZINC000547753579 288075899 /nfs/dbraw/zinc/07/58/99/288075899.db2.gz NNTBKWXHLIPEKJ-UHFFFAOYSA-N 0 0 318.377 0.725 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547846012 288084516 /nfs/dbraw/zinc/08/45/16/288084516.db2.gz JMNUZCFYGMXAHG-JSGCOSHPSA-N 0 0 305.378 0.959 10 0 DCAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000186302451 278998961 /nfs/dbraw/zinc/99/89/61/278998961.db2.gz DKEAMOLHBNYNSF-ZDUSSCGKSA-N 0 0 314.345 0.507 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H]2COCC2(C)C)C1 ZINC000263341971 279059110 /nfs/dbraw/zinc/05/91/10/279059110.db2.gz FQEWLXZIRPBHMS-HTAVTVPLSA-N 0 0 313.398 0.648 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CCCCN2C(C)=O)CC1 ZINC000408070309 288109355 /nfs/dbraw/zinc/10/93/55/288109355.db2.gz ITHWYUABAPIMAH-LSDHHAIUSA-N 0 0 311.426 0.303 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000176142118 279172179 /nfs/dbraw/zinc/17/21/79/279172179.db2.gz AZYXQZBCXOFEJA-LSDHHAIUSA-N 0 0 321.425 0.696 10 0 DCAERN NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2 ZINC000548122479 288113899 /nfs/dbraw/zinc/11/38/99/288113899.db2.gz SIRYUSQLHLUXLC-UWVGGRQHSA-N 0 0 312.395 0.152 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCSC[C@@H]1CCO ZINC000548136127 288115369 /nfs/dbraw/zinc/11/53/69/288115369.db2.gz UYUJGJAHQHESHO-QWRGUYRKSA-N 0 0 307.437 0.280 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 ZINC000177799974 279319171 /nfs/dbraw/zinc/31/91/71/279319171.db2.gz KQNJRNSKXIJYSZ-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN Cn1cc(N2CCN(c3cnc4c(n3)CCCC4)CC2=O)cn1 ZINC000333931119 279340361 /nfs/dbraw/zinc/34/03/61/279340361.db2.gz ZTBCZYUEINARKK-UHFFFAOYSA-N 0 0 312.377 0.942 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000262009482 279404542 /nfs/dbraw/zinc/40/45/42/279404542.db2.gz HFLXKASNNJHJIX-DTORHVGOSA-N 0 0 304.803 0.589 10 0 DCAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(C(N)=O)co1)CS2 ZINC000548295399 288128984 /nfs/dbraw/zinc/12/89/84/288128984.db2.gz VCTITGWCRSMGJW-QMTHXVAHSA-N 0 0 323.374 0.449 10 0 DCAERN CN(C)c1ncn(-c2cccc(NC(=O)[C@H]3CCC(=O)N3)c2)n1 ZINC000548331063 288132598 /nfs/dbraw/zinc/13/25/98/288132598.db2.gz JAXROZYUKONKKB-GFCCVEGCSA-N 0 0 314.349 0.550 10 0 DCAERN COCc1noc(CN2CCN(C(=O)NC[C@@H]3C[C@@H]3C)CC2)n1 ZINC000548363610 288135972 /nfs/dbraw/zinc/13/59/72/288135972.db2.gz NNOKAURRKBFLMJ-RYUDHWBXSA-N 0 0 323.397 0.699 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1cccc(OC(F)F)c1 ZINC000548389503 288138877 /nfs/dbraw/zinc/13/88/77/288138877.db2.gz WTSNUURCGAQGDM-UHFFFAOYSA-N 0 0 314.288 0.763 10 0 DCAERN CCn1c2ccc(S(=O)(=O)N3CC(CO)C3)cc2oc1=O ZINC000548449035 288144022 /nfs/dbraw/zinc/14/40/22/288144022.db2.gz NTLNLWKWRYUOCJ-UHFFFAOYSA-N 0 0 312.347 0.227 10 0 DCAERN COC(=O)C1(NC(=O)c2cn3cccnc3n2)CCSCC1 ZINC000548643486 288162943 /nfs/dbraw/zinc/16/29/43/288162943.db2.gz BOWVKWSWHQJWEZ-UHFFFAOYSA-N 0 0 320.374 0.898 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@H](C)O1 ZINC000548720542 288170632 /nfs/dbraw/zinc/17/06/32/288170632.db2.gz CQIAPEKUGKJYBA-ZWUHOBOKSA-N 0 0 308.378 0.672 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000176606520 279935535 /nfs/dbraw/zinc/93/55/35/279935535.db2.gz DQPHJMADLDYREF-WDEREUQCSA-N 0 0 306.370 0.279 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)cn1 ZINC000548863555 288182627 /nfs/dbraw/zinc/18/26/27/288182627.db2.gz WZXVLCBZMYUFJW-OLZOCXBDSA-N 0 0 307.350 0.396 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)COc3cnn(C)c3)C2)no1 ZINC000548867076 288182944 /nfs/dbraw/zinc/18/29/44/288182944.db2.gz VQTROOZXEHACQG-GFCCVEGCSA-N 0 0 319.365 0.972 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328879390 280089895 /nfs/dbraw/zinc/08/98/95/280089895.db2.gz LIUDMDUPTYYOTK-XQQFMLRXSA-N 0 0 308.382 0.776 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000365366179 280098031 /nfs/dbraw/zinc/09/80/31/280098031.db2.gz RKUFKBRXXAOZHP-UPJWGTAASA-N 0 0 303.424 0.941 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000408249057 280149880 /nfs/dbraw/zinc/14/98/80/280149880.db2.gz YIDCYTJEJKBESP-WBVHZDCISA-N 0 0 321.421 0.762 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CC2Cc3ccccc3C2)CC1 ZINC000550824675 288220015 /nfs/dbraw/zinc/22/00/15/288220015.db2.gz PATSTSRGKFACMU-UHFFFAOYSA-N 0 0 322.430 0.895 10 0 DCAERN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189809182 280318393 /nfs/dbraw/zinc/31/83/93/280318393.db2.gz JCZZACHBWQJWJN-AWEZNQCLSA-N 0 0 321.377 0.725 10 0 DCAERN O=C(NCCC1(O)CCC1)C(=O)Nc1ccc2nccn2c1 ZINC000551482718 288229079 /nfs/dbraw/zinc/22/90/79/288229079.db2.gz LYWRIJOLGQOJHQ-UHFFFAOYSA-N 0 0 302.334 0.694 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000329712498 280394542 /nfs/dbraw/zinc/39/45/42/280394542.db2.gz QEUBKKCLZDVUAA-JHJVBQTASA-N 0 0 308.382 0.776 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[S@@]1=O ZINC000408225818 288248428 /nfs/dbraw/zinc/24/84/28/288248428.db2.gz XKQKJANWZUAEOC-VOZDBPFOSA-N 0 0 310.423 0.368 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000552633381 288277738 /nfs/dbraw/zinc/27/77/38/288277738.db2.gz WMOHKYJSTGSSTR-SNVBAGLBSA-N 0 0 307.316 0.608 10 0 DCAERN Cc1cc(CCNC(=O)CNC(=O)c2ccc(O)cc2)on1 ZINC000552367121 288273603 /nfs/dbraw/zinc/27/36/03/288273603.db2.gz YAHZRNYWAIKTCN-UHFFFAOYSA-N 0 0 303.318 0.777 10 0 DCAERN O=C(NCCCn1ccnc1)C(=O)Nc1ccc2nccn2c1 ZINC000552703408 288279252 /nfs/dbraw/zinc/27/92/52/288279252.db2.gz XSGQQCSHALIDPT-UHFFFAOYSA-N 0 0 312.333 0.676 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@H]2CCCOC2)C[C@@]2(CCOC2)O1 ZINC000330158323 281257910 /nfs/dbraw/zinc/25/79/10/281257910.db2.gz PYCUTDACASRULA-GXTWGEPZSA-N 0 0 319.423 0.765 10 0 DCAERN CC(C)n1cc([C@@H](C)NC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000553880933 288309687 /nfs/dbraw/zinc/30/96/87/288309687.db2.gz QGYDCRZDTUPFDL-LLVKDONJSA-N 0 0 318.381 0.691 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cn1 ZINC000554529868 288326679 /nfs/dbraw/zinc/32/66/79/288326679.db2.gz IRGZWCVWKCMFOJ-FZMZJTMJSA-N 0 0 311.407 0.970 10 0 DCAERN Cn1nnc2c1nccc2C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000554674037 288335122 /nfs/dbraw/zinc/33/51/22/288335122.db2.gz CONIZMRGHXICRB-UHFFFAOYSA-N 0 0 300.326 0.962 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000554712455 288336213 /nfs/dbraw/zinc/33/62/13/288336213.db2.gz BJVADBLIFARWDY-GFCCVEGCSA-N 0 0 305.382 0.719 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 ZINC000554766651 288337831 /nfs/dbraw/zinc/33/78/31/288337831.db2.gz LKRCVQHNIDGZDV-LBPRGKRZSA-N 0 0 304.350 0.997 10 0 DCAERN Cn1[nH]c(CN2CCO[C@@H](COc3ccccc3)C2)nc1=O ZINC000555448866 288351346 /nfs/dbraw/zinc/35/13/46/288351346.db2.gz XJKRHWUUQOELNJ-CYBMUJFWSA-N 0 0 304.350 0.388 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750398 281867118 /nfs/dbraw/zinc/86/71/18/281867118.db2.gz QTTGTOYOVXARSH-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000558326539 288439888 /nfs/dbraw/zinc/43/98/88/288439888.db2.gz XHCGVBAGTLYMFP-NSHDSACASA-N 0 0 305.396 0.754 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)OC)s1 ZINC000135576429 288544168 /nfs/dbraw/zinc/54/41/68/288544168.db2.gz BSILXKJVDNJREU-JTQLQIEISA-N 0 0 319.404 0.873 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NC[C@]3(O)CCOC3)cc21 ZINC000564273371 288733626 /nfs/dbraw/zinc/73/36/26/288733626.db2.gz WRTXGBNUIVFHAW-MRXNPFEDSA-N 0 0 317.345 0.811 10 0 DCAERN O=C(NC[C@H]1COCCO1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000565613578 288867156 /nfs/dbraw/zinc/86/71/56/288867156.db2.gz XJVOQGBDZVIJDH-RYUDHWBXSA-N 0 0 322.365 0.861 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)c1ccco1 ZINC000377857501 289048495 /nfs/dbraw/zinc/04/84/95/289048495.db2.gz SQCSOLIDERDWFB-VXGBXAGGSA-N 0 0 300.380 0.763 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132724838 289087110 /nfs/dbraw/zinc/08/71/10/289087110.db2.gz HYGJQDMLPUIJPZ-DVOMOZLQSA-N 0 0 320.389 0.360 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCN(C)c2ccccc21 ZINC000408185003 289228687 /nfs/dbraw/zinc/22/86/87/289228687.db2.gz GFENGGYJUJYORI-UHFFFAOYSA-N 0 0 311.407 0.751 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000408186879 289229160 /nfs/dbraw/zinc/22/91/60/289229160.db2.gz XNIWIVLTTROPPK-WDEREUQCSA-N 0 0 306.453 0.764 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000408186877 289229309 /nfs/dbraw/zinc/22/93/09/289229309.db2.gz XNIWIVLTTROPPK-MNOVXSKESA-N 0 0 306.453 0.764 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000408187738 289230834 /nfs/dbraw/zinc/23/08/34/289230834.db2.gz PZCOMYRYGJCBON-UHTWSYAYSA-N 0 0 316.423 0.342 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019714 290081994 /nfs/dbraw/zinc/08/19/94/290081994.db2.gz AKHDTVUFSGPBOL-QJPTWQEYSA-N 0 0 312.414 0.001 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3ccccc3S(C)(=O)=O)C[C@H]21 ZINC000408288868 290096858 /nfs/dbraw/zinc/09/68/58/290096858.db2.gz ABJCAGCOBTUCDH-CHWSQXEVSA-N 0 0 324.402 0.245 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)C(C)C ZINC000180777346 290602609 /nfs/dbraw/zinc/60/26/09/290602609.db2.gz VDLAYHLMSKYZJQ-LLVKDONJSA-N 0 0 323.397 0.463 10 0 DCAERN Cn1cc(NC(=O)c2noc3c2CCCC3)c(=O)n(C)c1=O ZINC000329468144 294268687 /nfs/dbraw/zinc/26/86/87/294268687.db2.gz WQVOGTZCZOXTIW-UHFFFAOYSA-N 0 0 304.306 0.203 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[S@]1=O ZINC000408225815 297074675 /nfs/dbraw/zinc/07/46/75/297074675.db2.gz XKQKJANWZUAEOC-ZZPLEAIBSA-N 0 0 310.423 0.368 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000377050512 294640986 /nfs/dbraw/zinc/64/09/86/294640986.db2.gz ZMLGSKFFOSWVGG-SDDRHHMPSA-N 0 0 304.412 0.436 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)O1 ZINC000332884642 295014721 /nfs/dbraw/zinc/01/47/21/295014721.db2.gz CPKNSDHNIABBFG-SRVKXCTJSA-N 0 0 321.308 0.740 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1c(F)cccc1Cl ZINC000091782343 295118930 /nfs/dbraw/zinc/11/89/30/295118930.db2.gz XDYQGPXUJRGLRR-NSHDSACASA-N 0 0 300.717 0.734 10 0 DCAERN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000123858181 295144581 /nfs/dbraw/zinc/14/45/81/295144581.db2.gz RNHPMLUHCWLORF-QWHCGFSZSA-N 0 0 324.425 0.732 10 0 DCAERN C[C@H](C(=O)N1CCC[C@](O)(C(F)(F)F)C1)N1CCOCC1 ZINC000408306306 298043699 /nfs/dbraw/zinc/04/36/99/298043699.db2.gz PPRXNTODCGFTOV-ZYHUDNBSSA-N 0 0 310.316 0.623 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCSCC1 ZINC000328937632 298067673 /nfs/dbraw/zinc/06/76/73/298067673.db2.gz JVDPDDKWUCVLED-GHMZBOCLSA-N 0 0 306.453 0.069 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154687855 298147473 /nfs/dbraw/zinc/14/74/73/298147473.db2.gz BPMMKKCMVUZNDX-MRVPVSSYSA-N 0 0 316.345 0.562 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000249297110 298232509 /nfs/dbraw/zinc/23/25/09/298232509.db2.gz KPBHTMBCSNWDOQ-JGVFFNPUSA-N 0 0 323.358 0.634 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cn(C)cn3)C2=O)n(C)n1 ZINC000179627867 301335320 /nfs/dbraw/zinc/33/53/20/301335320.db2.gz FNQUNOIKTLNSGO-LLVKDONJSA-N 0 0 316.365 0.387 10 0 DCAERN Cc1ccc([C@H](CNS(C)(=O)=O)N2CCOCC2)s1 ZINC000175216724 301798090 /nfs/dbraw/zinc/79/80/90/301798090.db2.gz GJVNNHAEZRFZQE-NSHDSACASA-N 0 0 304.437 0.979 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1S(=O)(=O)CCC1(C)CC1 ZINC000329826818 303104394 /nfs/dbraw/zinc/10/43/94/303104394.db2.gz IPGQPEWEMXXZEG-LLVKDONJSA-N 0 0 314.411 0.708 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408046252 303312270 /nfs/dbraw/zinc/31/22/70/303312270.db2.gz VUAMMVNRDZHPOL-BBFKJOKFSA-N 0 0 323.412 0.969 10 0 DCAERN O=C(CN1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374807381 303615190 /nfs/dbraw/zinc/61/51/90/303615190.db2.gz KHYDDEKMRDISJE-DZGCQCFKSA-N 0 0 312.410 0.003 10 0 DCAERN O=C(NCCOCC(F)F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000191635876 303777882 /nfs/dbraw/zinc/77/78/82/303777882.db2.gz FRVTXBGHJAYXIY-VIFPVBQESA-N 0 0 306.231 0.977 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000583950454 331487284 /nfs/dbraw/zinc/48/72/84/331487284.db2.gz AJEGHTOZSSVBKW-ZDUSSCGKSA-N 0 0 304.346 0.942 10 0 DCAERN O=C(Cn1ncc2ccccc21)NC[C@H](CO)[C@@H]1CCOC1 ZINC000575181360 333277450 /nfs/dbraw/zinc/27/74/50/333277450.db2.gz OWDDYNRPWRUQHN-ZIAGYGMSSA-N 0 0 303.362 0.798 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCO[C@@H](C2CC2)C1 ZINC000332976235 338523688 /nfs/dbraw/zinc/52/36/88/338523688.db2.gz HIODYVPLYGAZQU-VXGBXAGGSA-N 0 0 302.396 0.384 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000190009795 336258471 /nfs/dbraw/zinc/25/84/71/336258471.db2.gz NMRMOIGGUMNHHI-GXSJLCMTSA-N 0 0 318.420 0.575 10 0 DCAERN COC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000394616270 337123319 /nfs/dbraw/zinc/12/33/19/337123319.db2.gz DGENRHPVSRMSJD-ZDUSSCGKSA-N 0 0 317.363 0.149 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000332994347 338561943 /nfs/dbraw/zinc/56/19/43/338561943.db2.gz NFSHKIWZJBSBRI-RSQPEXBXSA-N 0 0 324.381 0.326 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000172332556 341796805 /nfs/dbraw/zinc/79/68/05/341796805.db2.gz HMGKJNLCLXEGRX-VHSXEESVSA-N 0 0 314.345 0.697 10 0 DCAERN CN1CC[C@H](NC(=O)NCCOc2ccc(F)cc2F)C1=O ZINC000172377403 341798104 /nfs/dbraw/zinc/79/81/04/341798104.db2.gz BIXSTUZALOPJOO-NSHDSACASA-N 0 0 313.304 0.874 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H](O)C3CCOCC3)[C@H]2C1 ZINC000576770001 341862558 /nfs/dbraw/zinc/86/25/58/341862558.db2.gz URHFQJQGLXYQIK-YHUYYLMFSA-N 0 0 324.421 0.537 10 0 DCAERN O=C([C@@H]1CCC(=O)c2cccn21)N1CCN2CCOC[C@@H]2C1 ZINC000577452079 341910247 /nfs/dbraw/zinc/91/02/47/341910247.db2.gz KSCGYYJBNFLUFL-JSGCOSHPSA-N 0 0 303.362 0.549 10 0 DCAERN Cc1c(C(=O)N2CCNC(=O)C2)cccc1N1CCNC1=O ZINC000172941158 533755371 /nfs/dbraw/zinc/75/53/71/533755371.db2.gz YAFOCBFZNZBCOH-UHFFFAOYSA-N 0 0 302.334 0.097 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188716841 534192723 /nfs/dbraw/zinc/19/27/23/534192723.db2.gz YTCSCLBJFDRRPJ-CYBMUJFWSA-N 0 0 308.378 0.599 10 0 DCAERN CC(C)[C@@H](C)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000077689028 517460366 /nfs/dbraw/zinc/46/03/66/517460366.db2.gz FXVYZWIYWGENLO-SECBINFHSA-N 0 0 319.365 0.798 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000266712842 518678604 /nfs/dbraw/zinc/67/86/04/518678604.db2.gz CXVQEVKXPRTMHN-WFASDCNBSA-N 0 0 316.361 0.019 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NCCNC(=O)c1cccnc1 ZINC000188358359 519215334 /nfs/dbraw/zinc/21/53/34/519215334.db2.gz ASAVJADVHVPNAD-AWEZNQCLSA-N 0 0 322.409 0.860 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000191043754 519493701 /nfs/dbraw/zinc/49/37/01/519493701.db2.gz HHMPLEPWGSXCMR-GFCCVEGCSA-N 0 0 305.382 0.311 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000172442435 534432296 /nfs/dbraw/zinc/43/22/96/534432296.db2.gz RKORACBLRUVVSD-MCIONIFRSA-N 0 0 321.421 0.795 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000365960386 519557544 /nfs/dbraw/zinc/55/75/44/519557544.db2.gz KCCKTOWITFUFTC-XHSDSOJGSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000366319638 519634352 /nfs/dbraw/zinc/63/43/52/519634352.db2.gz TXVQFYXVDLXLBI-ZKYQVNSYSA-N 0 0 314.407 0.314 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000191346786 519647011 /nfs/dbraw/zinc/64/70/11/519647011.db2.gz VZMBJDCKPCADLM-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000191345530 519647963 /nfs/dbraw/zinc/64/79/63/519647963.db2.gz RWLAQPKVMFAHRP-UHFFFAOYSA-N 0 0 312.329 0.520 10 0 DCAERN CC(C)c1cc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000266350619 519833377 /nfs/dbraw/zinc/83/33/77/519833377.db2.gz DSYKSHQJGBZTRH-SECBINFHSA-N 0 0 316.383 0.953 10 0 DCAERN CCOCCN1CCN(C(=O)CCCS(C)(=O)=O)C[C@@H]1C ZINC000117275607 519913644 /nfs/dbraw/zinc/91/36/44/519913644.db2.gz COSBQOPWJLHHMZ-ZDUSSCGKSA-N 0 0 320.455 0.380 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000187979370 520194817 /nfs/dbraw/zinc/19/48/17/520194817.db2.gz PZVGSHXNIFOBPC-OLZOCXBDSA-N 0 0 307.398 0.924 10 0 DCAERN NC(=O)c1cccc(CCNc2cncc(OCCO)n2)c1 ZINC000189326894 534495152 /nfs/dbraw/zinc/49/51/52/534495152.db2.gz MBLIEPKOZGNMTJ-UHFFFAOYSA-N 0 0 302.334 0.601 10 0 DCAERN CCOC(=O)CCCNC(=O)CN1CCC(n2cncn2)CC1 ZINC000156607421 520644115 /nfs/dbraw/zinc/64/41/15/520644115.db2.gz XJCGONBPMPXECG-UHFFFAOYSA-N 0 0 323.397 0.375 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2cnn(-c3ccccc3)c2)COC1 ZINC000126815355 520704063 /nfs/dbraw/zinc/70/40/63/520704063.db2.gz PGZVEFPEULPMDF-UHFFFAOYSA-N 0 0 314.345 0.964 10 0 DCAERN CCCCOC[C@@H](O)CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000193383668 520801443 /nfs/dbraw/zinc/80/14/43/520801443.db2.gz CDFIRJPIRNRFHH-AWEZNQCLSA-N 0 0 310.398 0.246 10 0 DCAERN Cc1oc2ccccc2c1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000185611784 534552382 /nfs/dbraw/zinc/55/23/82/534552382.db2.gz NTJCFKMDGMCHDG-UHFFFAOYSA-N 0 0 323.374 0.703 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCC[S@](C)=O)cc1 ZINC000116902136 521858013 /nfs/dbraw/zinc/85/80/13/521858013.db2.gz VWXCZMNEMPVNMT-LJQANCHMSA-N 0 0 318.420 0.093 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(c3cccnn3)CC2)o1 ZINC000153524106 521952542 /nfs/dbraw/zinc/95/25/42/521952542.db2.gz BLAVMVIBLPWUSI-UHFFFAOYSA-N 0 0 316.317 0.819 10 0 DCAERN COC(=O)c1ccc(N2CCCN(c3cccnn3)CC2)nn1 ZINC000131575248 522078549 /nfs/dbraw/zinc/07/85/49/522078549.db2.gz UBEXTHKSWGJJNH-UHFFFAOYSA-N 0 0 314.349 0.770 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)CNC(=O)c1cccnc1 ZINC000154833162 522144968 /nfs/dbraw/zinc/14/49/68/522144968.db2.gz HPVBXDZBXHXNQI-LLVKDONJSA-N 0 0 306.366 0.232 10 0 DCAERN CNS(=O)(=O)CCNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000188943786 522192850 /nfs/dbraw/zinc/19/28/50/522192850.db2.gz FLXRLLQFTZUXMC-MDZDMXLPSA-N 0 0 300.355 0.894 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(c3cnn(C)c3)CC2)c1 ZINC000185068310 522356340 /nfs/dbraw/zinc/35/63/40/522356340.db2.gz XQIAJHAGIJTUAU-UHFFFAOYSA-N 0 0 318.333 0.762 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000182883074 522881298 /nfs/dbraw/zinc/88/12/98/522881298.db2.gz UPRREILITVVEDS-INIZCTEOSA-N 0 0 318.377 0.844 10 0 DCAERN COCc1cc(N[C@@H](C)[C@@H]2CN(C)CCO2)n2ncnc2n1 ZINC000154807638 522933941 /nfs/dbraw/zinc/93/39/41/522933941.db2.gz VRYVUEAMWBMFQK-JQWIXIFHSA-N 0 0 306.370 0.402 10 0 DCAERN COCc1cc(N[C@@H](C)[C@H]2CN(C)CCO2)n2ncnc2n1 ZINC000154807837 522935427 /nfs/dbraw/zinc/93/54/27/522935427.db2.gz VRYVUEAMWBMFQK-CMPLNLGQSA-N 0 0 306.370 0.402 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cn1 ZINC000134269786 523316878 /nfs/dbraw/zinc/31/68/78/523316878.db2.gz OVRZZKAZGISECT-ZDUSSCGKSA-N 0 0 317.349 0.210 10 0 DCAERN COCCCS(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000189160256 523437305 /nfs/dbraw/zinc/43/73/05/523437305.db2.gz WHKAWUJXSWNBAA-UHFFFAOYSA-N 0 0 324.406 0.970 10 0 DCAERN CCn1nccc1S(=O)(=O)N[C@H]1CCN(c2ccn(C)n2)C1 ZINC000364204045 523744976 /nfs/dbraw/zinc/74/49/76/523744976.db2.gz USUGQQAACYJUKR-NSHDSACASA-N 0 0 324.410 0.194 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCC(F)(F)F ZINC000168981966 523765438 /nfs/dbraw/zinc/76/54/38/523765438.db2.gz UBHNDIXEQSIJMI-SFYZADRCSA-N 0 0 319.301 0.267 10 0 DCAERN CO[C@H](C)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000191660447 523881737 /nfs/dbraw/zinc/88/17/37/523881737.db2.gz CSPHBFXYOZBNRH-SNVBAGLBSA-N 0 0 309.370 0.873 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000157666173 523951458 /nfs/dbraw/zinc/95/14/58/523951458.db2.gz NDCKUUQZBWNJTK-CYBMUJFWSA-N 0 0 319.340 0.467 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)CCC1=O ZINC000162908007 524009989 /nfs/dbraw/zinc/00/99/89/524009989.db2.gz MKOYKXUWUWNDRS-LBPRGKRZSA-N 0 0 305.382 0.850 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC(=O)Nc1ccccc1 ZINC000158504583 524082416 /nfs/dbraw/zinc/08/24/16/524082416.db2.gz QLQZVYJOHDBQQU-ZDUSSCGKSA-N 0 0 318.377 0.935 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000189225021 524100938 /nfs/dbraw/zinc/10/09/38/524100938.db2.gz ZJLZSLVGUCYMEU-OAHLLOKOSA-N 0 0 318.373 0.856 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1N1CCOCC1 ZINC000266264474 524522894 /nfs/dbraw/zinc/52/28/94/524522894.db2.gz YNGDOGPULLTEMW-CMPLNLGQSA-N 0 0 323.418 0.640 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000176510792 524601402 /nfs/dbraw/zinc/60/14/02/524601402.db2.gz WMLRPQDFZNDLSV-LLVKDONJSA-N 0 0 322.390 0.564 10 0 DCAERN C[C@H](CS(C)(=O)=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000182921004 524607937 /nfs/dbraw/zinc/60/79/37/524607937.db2.gz WTTCYSSQXCBBOH-TZMCWYRMSA-N 0 0 312.435 0.709 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)[C@@H](C)CO1 ZINC000245780485 524657200 /nfs/dbraw/zinc/65/72/00/524657200.db2.gz CADFJSWFOCUHGH-RYUDHWBXSA-N 0 0 314.407 0.623 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)CCS1(=O)=O ZINC000124887739 524827994 /nfs/dbraw/zinc/82/79/94/524827994.db2.gz LGLRDKAJDQPOSH-PWSUYJOCSA-N 0 0 310.375 0.949 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247007018 525257102 /nfs/dbraw/zinc/25/71/02/525257102.db2.gz IUGIIPMRJXVBFD-UMNHJUIQSA-N 0 0 307.350 0.558 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ncnn1C)c1ccccc1 ZINC000191080469 525283715 /nfs/dbraw/zinc/28/37/15/525283715.db2.gz SRGCKQSWKVJNGY-MNOVXSKESA-N 0 0 322.390 0.855 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)O1 ZINC000368518701 525398107 /nfs/dbraw/zinc/39/81/07/525398107.db2.gz NDLMINXTHXKWFL-XCCSTKFXSA-N 0 0 310.394 0.696 10 0 DCAERN CSCCN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000153242063 525487881 /nfs/dbraw/zinc/48/78/81/525487881.db2.gz CRNGXHKGFVSXFX-UHFFFAOYSA-N 0 0 308.411 0.687 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000190055638 525594459 /nfs/dbraw/zinc/59/44/59/525594459.db2.gz PXKMPXGMAIRIGU-GXFFZTMASA-N 0 0 312.391 0.425 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000190475024 525595470 /nfs/dbraw/zinc/59/54/70/525595470.db2.gz ALNXLHLEJIVXBY-AXTRIDKLSA-N 0 0 316.354 0.449 10 0 DCAERN C[C@H](C(=O)N1CCc2sccc2C1)N1CCO[C@H](CO)C1 ZINC000267575599 526001821 /nfs/dbraw/zinc/00/18/21/526001821.db2.gz DLXYTLYVIZDCSL-YPMHNXCESA-N 0 0 310.419 0.714 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000188923876 526201364 /nfs/dbraw/zinc/20/13/64/526201364.db2.gz WGZVTQFDKUJPHP-NSHDSACASA-N 0 0 310.398 0.117 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000118070435 526262851 /nfs/dbraw/zinc/26/28/51/526262851.db2.gz FTDHJRKVVLIRLQ-LBPRGKRZSA-N 0 0 303.370 0.406 10 0 DCAERN Cc1nc(SCC(=O)N2CC(NC(=O)C3CCC3)C2)n[nH]1 ZINC000188480161 526527153 /nfs/dbraw/zinc/52/71/53/526527153.db2.gz RLWHROAKEBOIJR-UHFFFAOYSA-N 0 0 309.395 0.332 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2ccc(N(C)C)cc2)n1 ZINC000129515183 526606338 /nfs/dbraw/zinc/60/63/38/526606338.db2.gz AXTXJHQSFKGMNN-UHFFFAOYSA-N 0 0 317.349 0.741 10 0 DCAERN CC(=O)N1CCN(C(=O)CN[C@H](CO)c2ccsc2)CC1 ZINC000331027690 526611656 /nfs/dbraw/zinc/61/16/56/526611656.db2.gz XKEKUUWSOXHYAQ-CYBMUJFWSA-N 0 0 311.407 0.062 10 0 DCAERN Cc1nc(C(=O)NCc2nnc3n2CCCC3)c(=O)[nH]c1C ZINC000154545153 526652236 /nfs/dbraw/zinc/65/22/36/526652236.db2.gz MSWCWCBFFIIKOG-UHFFFAOYSA-N 0 0 302.338 0.245 10 0 DCAERN CC(=O)NC1(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)CCCCC1 ZINC000152407981 526692663 /nfs/dbraw/zinc/69/26/63/526692663.db2.gz KJCMMTFPKRDBNS-ZIAGYGMSSA-N 0 0 309.410 0.367 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000188722589 526854090 /nfs/dbraw/zinc/85/40/90/526854090.db2.gz XJDMHKMCGOIEPM-GUBZILKMSA-N 0 0 323.299 0.815 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000152850871 526866443 /nfs/dbraw/zinc/86/64/43/526866443.db2.gz RGVFFNQILIBRDW-JSGCOSHPSA-N 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ADKXZVNCZOTKDY-UFBFGSQYSA-N 0 0 304.350 0.823 10 0 DCAERN O=Cc1cccc(OCCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112648657 527152899 /nfs/dbraw/zinc/15/28/99/527152899.db2.gz YRWPZEAFMUOXJK-CYBMUJFWSA-N 0 0 314.345 0.991 10 0 DCAERN O=Cc1ccccc1OCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189390018 527153776 /nfs/dbraw/zinc/15/37/76/527153776.db2.gz NBZFFBNRLMTSOG-UHFFFAOYSA-N 0 0 302.330 0.615 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCOC[C@H](O)C2)c1 ZINC000295657620 527377611 /nfs/dbraw/zinc/37/76/11/527377611.db2.gz QOEGYFQTEKPPNG-CABCVRRESA-N 0 0 309.362 0.322 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)CNC(=O)c1cccnc1 ZINC000130615694 527407545 /nfs/dbraw/zinc/40/75/45/527407545.db2.gz KRPVKUMKMUMYKD-UHFFFAOYSA-N 0 0 315.377 0.865 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOC2(CCC2)C1 ZINC000270814017 527576591 /nfs/dbraw/zinc/57/65/91/527576591.db2.gz IBZRCFPLIJSYGF-UHFFFAOYSA-N 0 0 302.338 0.190 10 0 DCAERN Cn1nccc1CCC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000126716198 527601268 /nfs/dbraw/zinc/60/12/68/527601268.db2.gz DQUQNGVXHKOIJT-HNNXBMFYSA-N 0 0 306.410 0.676 10 0 DCAERN Cn1nccc1CCC(=O)NCc1nnc2n1CCCCC2 ZINC000119307563 527602497 /nfs/dbraw/zinc/60/24/97/527602497.db2.gz HWWJRPONHBOLTC-UHFFFAOYSA-N 0 0 302.382 0.987 10 0 DCAERN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CC(CO)C1 ZINC000184224692 527642628 /nfs/dbraw/zinc/64/26/28/527642628.db2.gz AQWXJZPJXKRVOC-LLVKDONJSA-N 0 0 300.424 0.775 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCCn2ncnc21 ZINC000151786386 527653037 /nfs/dbraw/zinc/65/30/37/527653037.db2.gz UIWUSBQWGUNWMS-LLVKDONJSA-N 0 0 304.354 0.659 10 0 DCAERN CCCC(=O)NCC(=O)NCCn1c2ccccc2[nH]c1=O ZINC000175479704 527924938 /nfs/dbraw/zinc/92/49/38/527924938.db2.gz GEYGQUZFYKJJEY-UHFFFAOYSA-N 0 0 304.350 0.362 10 0 DCAERN CCCC(=O)NCC(=O)NCc1c(CC)c(CC)n[nH]c1=O ZINC000158901274 527925362 /nfs/dbraw/zinc/92/53/62/527925362.db2.gz CXTWZLPHDMARNA-UHFFFAOYSA-N 0 0 308.382 0.427 10 0 DCAERN CC(C)c1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)n(C)n1 ZINC000328629544 528022820 /nfs/dbraw/zinc/02/28/20/528022820.db2.gz OYESNQFRHHQKAM-UHFFFAOYSA-N 0 0 315.377 0.836 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000176593386 528053265 /nfs/dbraw/zinc/05/32/65/528053265.db2.gz OEVFRTONCJUMCG-KGLIPLIRSA-N 0 0 309.410 0.714 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000153313111 528613799 /nfs/dbraw/zinc/61/37/99/528613799.db2.gz CLIQTCUNFJXPMD-SNVBAGLBSA-N 0 0 321.424 0.272 10 0 DCAERN CCOCCNC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000276559662 528770793 /nfs/dbraw/zinc/77/07/93/528770793.db2.gz SLWWQFHAXDUWPD-ZDUSSCGKSA-N 0 0 307.398 0.729 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000168043677 528806664 /nfs/dbraw/zinc/80/66/64/528806664.db2.gz HRRARWQYSZOKLJ-FRRDWIJNSA-N 0 0 318.439 0.420 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCCNC(=O)C1CC1 ZINC000178882159 528840118 /nfs/dbraw/zinc/84/01/18/528840118.db2.gz GRKWWTKSBVAZOU-GFCCVEGCSA-N 0 0 312.414 0.507 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000188848207 528891100 /nfs/dbraw/zinc/89/11/00/528891100.db2.gz OWPMMRVKSCWTKF-NSHDSACASA-N 0 0 321.381 0.359 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)NS(C)(=O)=O)CC[S@@]1=O ZINC000186784886 529069674 /nfs/dbraw/zinc/06/96/74/529069674.db2.gz HWSSFHVDGLDTSH-GIGQVBGESA-N 0 0 324.468 0.074 10 0 DCAERN CC1(C)CN(C(=O)NCC2CCOCC2)CCS1(=O)=O ZINC000176619240 529082341 /nfs/dbraw/zinc/08/23/41/529082341.db2.gz RMQUUHSNZJMCRL-UHFFFAOYSA-N 0 0 304.412 0.632 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)COC(C)(C)CC ZINC000457756941 535431406 /nfs/dbraw/zinc/43/14/06/535431406.db2.gz HUVANTBLWVZLPN-WDEREUQCSA-N 0 0 316.398 0.764 10 0 DCAERN CCc1nnsc1C(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284509323 535865160 /nfs/dbraw/zinc/86/51/60/535865160.db2.gz DDCPFZIXNXDBCW-SNVBAGLBSA-N 0 0 322.394 0.921 10 0 DCAERN COCc1cc(NCC2(OC)CCOCC2)n2ncnc2n1 ZINC000120573288 536737085 /nfs/dbraw/zinc/73/70/85/536737085.db2.gz VKQSAVAIJQOFGR-UHFFFAOYSA-N 0 0 307.354 0.878 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCCOCC2)[C@@H]1c1cccnc1 ZINC000074535477 545669558 /nfs/dbraw/zinc/66/95/58/545669558.db2.gz BVOZNWKJAMPYNH-ZFWWWQNUSA-N 0 0 303.362 0.850 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000074812684 545671521 /nfs/dbraw/zinc/67/15/21/545671521.db2.gz YLHWPSTZNKJVBB-UHFFFAOYSA-N 0 0 322.386 0.885 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC2(O)CCC2)[C@@H]1c1cccnc1 ZINC000081431612 545693765 /nfs/dbraw/zinc/69/37/65/545693765.db2.gz BUFDTBOGQMAMSF-JSGCOSHPSA-N 0 0 303.362 0.632 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncccc2C(F)(F)F)C[C@H](C(N)=O)O1 ZINC000092500591 545721542 /nfs/dbraw/zinc/72/15/42/545721542.db2.gz CMYFWYFDRPQAJW-VXNVDRBHSA-N 0 0 317.267 0.815 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CCn1ccccc1=O ZINC000097252214 545729304 /nfs/dbraw/zinc/72/93/04/545729304.db2.gz WABYMQQQGQEGIA-UHFFFAOYSA-N 0 0 302.378 0.948 10 0 DCAERN C[C@H](NC(=O)COC[C@@H]1CCOC1)C(=O)N1CCCC[C@@H]1C ZINC000117803944 545736357 /nfs/dbraw/zinc/73/63/57/545736357.db2.gz JFMFJMOITHYPHJ-MELADBBJSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@](O)(CO)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000130009485 545785336 /nfs/dbraw/zinc/78/53/36/545785336.db2.gz HBLBWXNCZREBBU-GFCCVEGCSA-N 0 0 307.799 0.576 10 0 DCAERN CC(C)C[C@@H](C)OCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000133112391 545797667 /nfs/dbraw/zinc/79/76/67/545797667.db2.gz AQCCOMMBGJVKDS-HUUCEWRRSA-N 0 0 316.442 0.637 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCN(C)CC(F)(F)F ZINC000156124162 545846374 /nfs/dbraw/zinc/84/63/74/545846374.db2.gz BHMAYJXWHRFVRN-SNVBAGLBSA-N 0 0 324.347 0.791 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)no1 ZINC000178255569 545894699 /nfs/dbraw/zinc/89/46/99/545894699.db2.gz WKKIDNJYGQQMMX-WCQYABFASA-N 0 0 308.382 0.980 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](O)C(C)C ZINC000178638264 545895724 /nfs/dbraw/zinc/89/57/24/545895724.db2.gz MMJGLPHBLSLSQZ-GFCCVEGCSA-N 0 0 300.380 0.389 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)C(C)C ZINC000179127663 545897880 /nfs/dbraw/zinc/89/78/80/545897880.db2.gz VDMJBVXGMDKMFR-OAHLLOKOSA-N 0 0 315.373 0.957 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cn2)co1 ZINC000181655872 545903455 /nfs/dbraw/zinc/90/34/55/545903455.db2.gz SURKBKQWZDJHFK-UHFFFAOYSA-N 0 0 315.738 0.905 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000189087507 545919652 /nfs/dbraw/zinc/91/96/52/545919652.db2.gz OEIZVSUFDCNHFI-SNVBAGLBSA-N 0 0 314.411 0.687 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000189893770 545923184 /nfs/dbraw/zinc/92/31/84/545923184.db2.gz YWAPZOHRKCEURY-VXGBXAGGSA-N 0 0 308.382 0.402 10 0 DCAERN NS(=O)(=O)c1ccccc1N1CCN(CC(F)F)CC1 ZINC000190293684 545923953 /nfs/dbraw/zinc/92/39/53/545923953.db2.gz LEKSIDNZAGXNJU-UHFFFAOYSA-N 0 0 305.350 0.721 10 0 DCAERN Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccn1C ZINC000194969584 545932890 /nfs/dbraw/zinc/93/28/90/545932890.db2.gz KUMXLAABGCRCQC-UHFFFAOYSA-N 0 0 313.404 0.972 10 0 DCAERN Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccn1C ZINC000194921450 545933034 /nfs/dbraw/zinc/93/30/34/545933034.db2.gz BMQJSKRFUNTWIN-UHFFFAOYSA-N 0 0 307.375 0.911 10 0 DCAERN O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1COCCN1 ZINC000238056303 545959270 /nfs/dbraw/zinc/95/92/70/545959270.db2.gz WBHIGPNXKCWNIR-INIZCTEOSA-N 0 0 319.405 0.123 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000275510620 545993748 /nfs/dbraw/zinc/99/37/48/545993748.db2.gz AXOCGFKKVHTHIK-DOMZBBRYSA-N 0 0 322.434 0.377 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000332785474 546060537 /nfs/dbraw/zinc/06/05/37/546060537.db2.gz QWCMELJCDIYCRD-IELRGYKMSA-N 0 0 309.370 0.762 10 0 DCAERN CNC(=O)C1(C(=O)NC[C@H]2CCCN2c2cccnn2)CC1 ZINC000332892166 546065058 /nfs/dbraw/zinc/06/50/58/546065058.db2.gz VSNGGIUDGJKNKD-LLVKDONJSA-N 0 0 303.366 0.088 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000333067945 546070839 /nfs/dbraw/zinc/07/08/39/546070839.db2.gz JSOBHTMTUVAGBA-GFCCVEGCSA-N 0 0 323.418 0.854 10 0 DCAERN CNC(=O)CN1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000333146901 546073307 /nfs/dbraw/zinc/07/33/07/546073307.db2.gz ZZBHJMZJJSUFCW-UHFFFAOYSA-N 0 0 316.405 0.464 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCc2cccnc21 ZINC000333416368 546080891 /nfs/dbraw/zinc/08/08/91/546080891.db2.gz IEFUBCURBPPZJL-RYUDHWBXSA-N 0 0 309.391 0.391 10 0 DCAERN CS(=O)(=O)[C@H]1CCCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000333417446 546081081 /nfs/dbraw/zinc/08/10/81/546081081.db2.gz FJXFMOCXBHFXLE-QWRGUYRKSA-N 0 0 302.396 0.081 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N(C)CCNC(=O)N(C)C)[nH]n1 ZINC000358700058 546194869 /nfs/dbraw/zinc/19/48/69/546194869.db2.gz GHECYYZAAUUGLZ-JTQLQIEISA-N 0 0 310.402 0.562 10 0 DCAERN CC1(C)CC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000395450819 546223342 /nfs/dbraw/zinc/22/33/42/546223342.db2.gz XHLASGYRBZAPDL-UHFFFAOYSA-N 0 0 318.420 0.801 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC(CCO)CC2)C[C@H](C)O1 ZINC000400985171 546224656 /nfs/dbraw/zinc/22/46/56/546224656.db2.gz YGBZEYYAXSMPFJ-TXEJJXNPSA-N 0 0 306.428 0.435 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)C1 ZINC000519058408 546281082 /nfs/dbraw/zinc/28/10/82/546281082.db2.gz YXWGWOOVXCGWMH-LBPRGKRZSA-N 0 0 314.349 0.597 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671430667 547209986 /nfs/dbraw/zinc/20/99/86/547209986.db2.gz INFVYJAAFIHLJX-ZDUSSCGKSA-N 0 0 316.427 0.481 10 0 DCAERN NC1(c2ncc(Br)cn2)CCS(=O)(=O)CC1 ZINC000675073261 547658891 /nfs/dbraw/zinc/65/88/91/547658891.db2.gz IDCBLGRWRGXYGS-UHFFFAOYSA-N 0 0 306.185 0.602 10 0 DCAERN Cc1nnc(COC(=O)c2cc(S(C)(=O)=O)cs2)n1C ZINC000159202097 660819414 /nfs/dbraw/zinc/81/94/14/660819414.db2.gz KSPYXPFGVFSPQD-UHFFFAOYSA-N 0 0 315.376 0.946 10 0 DCAERN O=S(=O)(c1ccc(F)cc1Cl)N1CCOC[C@@H]1CO ZINC000168663829 664527542 /nfs/dbraw/zinc/52/75/42/664527542.db2.gz IQPUJVSSVDSCTD-VIFPVBQESA-N 0 0 309.746 0.861 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)[C@H]2CCCO2)cc1 ZINC000036134536 661115816 /nfs/dbraw/zinc/11/58/16/661115816.db2.gz DUSFBHQUMHHFPO-CYBMUJFWSA-N 0 0 312.391 0.562 10 0 DCAERN CCn1ccc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)n1 ZINC000888094318 661159589 /nfs/dbraw/zinc/15/95/89/661159589.db2.gz HQIBEWMLGCWQIS-UONOGXRCSA-N 0 0 319.365 0.142 10 0 DCAERN CCc1cc(C)nc(N2CC(N3C[C@@H](C(=O)NC)CC3=O)C2)n1 ZINC000888098357 661177367 /nfs/dbraw/zinc/17/73/67/661177367.db2.gz GMDURKVYWODLTA-NSHDSACASA-N 0 0 317.393 0.131 10 0 DCAERN COc1cccc(=NNC(=O)[C@H](C)NC(=O)c2ccco2)[nH]1 ZINC000180692049 665451415 /nfs/dbraw/zinc/45/14/15/665451415.db2.gz RIPQPRVHTRSONW-VIFPVBQESA-N 0 0 304.306 0.945 10 0 DCAERN Cc1cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cnc1Cl ZINC000235877727 657856133 /nfs/dbraw/zinc/85/61/33/657856133.db2.gz VDKHQHLQCFVQLG-SNVBAGLBSA-N 0 0 317.798 0.759 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccc(Cl)cc1 ZINC000725026051 658029488 /nfs/dbraw/zinc/02/94/88/658029488.db2.gz YVROYURNNQXTHL-LBPRGKRZSA-N 0 0 316.810 0.733 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000262020965 658053340 /nfs/dbraw/zinc/05/33/40/658053340.db2.gz WQELXEWAOFGBQA-OCCSQVGLSA-N 0 0 311.426 0.470 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)NCCS(C)(=O)=O)n1 ZINC000048937961 658066181 /nfs/dbraw/zinc/06/61/81/658066181.db2.gz NNKXYRAMKUVERW-UHFFFAOYSA-N 0 0 303.384 0.461 10 0 DCAERN C[C@H](CC(F)(F)F)C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721578398 658137011 /nfs/dbraw/zinc/13/70/11/658137011.db2.gz TWEZOHBZUXZIIQ-SSDOTTSWSA-N 0 0 302.318 0.902 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000075032095 658294638 /nfs/dbraw/zinc/29/46/38/658294638.db2.gz SLZIEBLSRZUQCM-UHFFFAOYSA-N 0 0 303.318 0.816 10 0 DCAERN Nc1ncc(S(=O)(=O)N[C@H]2CCc3ccccc3C2)cn1 ZINC000051634155 658392447 /nfs/dbraw/zinc/39/24/47/658392447.db2.gz VCXUSBOKSXJJSV-LBPRGKRZSA-N 0 0 304.375 0.895 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1ccc(-c2ccccc2)n1C ZINC000181423527 665580085 /nfs/dbraw/zinc/58/00/85/665580085.db2.gz JAYVMZNCIYSZEV-LBPRGKRZSA-N 0 0 302.330 0.956 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)C(C)C ZINC000156875156 658453071 /nfs/dbraw/zinc/45/30/71/658453071.db2.gz WIHBCURUMBGLNQ-KCJUWKMLSA-N 0 0 312.288 0.893 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)Cc1nnc(C2CC2)n1C ZINC000179309109 658454229 /nfs/dbraw/zinc/45/42/29/658454229.db2.gz DMDYVJUHRCSSSV-UHFFFAOYSA-N 0 0 300.428 0.948 10 0 DCAERN NC(=O)[C@H]1CCN1c1ccc(I)cn1 ZINC000757140149 658457829 /nfs/dbraw/zinc/45/78/29/658457829.db2.gz ATMLABLMDBYBTP-SSDOTTSWSA-N 0 0 303.103 0.750 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000179398836 658493385 /nfs/dbraw/zinc/49/33/85/658493385.db2.gz BNQFRVYAJUNULD-OAHLLOKOSA-N 0 0 305.378 0.784 10 0 DCAERN Cc1cccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 ZINC000048803571 658541437 /nfs/dbraw/zinc/54/14/37/658541437.db2.gz PKEXVIWXTQIMFX-GFCCVEGCSA-N 0 0 314.432 0.927 10 0 DCAERN CCCNC(=O)CCCC(=O)O[C@@H](C)CN1CCOCC1 ZINC000179515446 658636852 /nfs/dbraw/zinc/63/68/52/658636852.db2.gz CMBWLODCOODPIN-ZDUSSCGKSA-N 0 0 300.399 0.947 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2ccc(Cl)nc2)CC1=O ZINC000723350474 658641031 /nfs/dbraw/zinc/64/10/31/658641031.db2.gz CENAINKXTOKONJ-VIFPVBQESA-N 0 0 317.798 0.882 10 0 DCAERN NCc1nc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000262179566 658678773 /nfs/dbraw/zinc/67/87/73/658678773.db2.gz INVQWFLWTNNQBI-QWRGUYRKSA-N 0 0 324.406 0.914 10 0 DCAERN O=C(c1c[nH]nc1C1CCOCC1)N1CCN2C(=O)CC[C@H]2C1 ZINC000888076023 658707315 /nfs/dbraw/zinc/70/73/15/658707315.db2.gz OVLWCAXVASBTCB-LBPRGKRZSA-N 0 0 318.377 0.751 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)c1ccsc1 ZINC000356250297 658974154 /nfs/dbraw/zinc/97/41/54/658974154.db2.gz HBYGLQUTITZMJA-MNOVXSKESA-N 0 0 300.405 0.819 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)O)cc1C(N)=O ZINC000394021349 659083599 /nfs/dbraw/zinc/08/35/99/659083599.db2.gz NXSUNOOGYYRMAL-SECBINFHSA-N 0 0 300.380 0.532 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H](O)c1ccc(F)cc1 ZINC000183571682 659184970 /nfs/dbraw/zinc/18/49/70/659184970.db2.gz UWLVUSQNAYSFJQ-ZDUSSCGKSA-N 0 0 307.329 0.840 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@H]2CCC[C@@H](CO)C2)s1 ZINC000311670062 659348543 /nfs/dbraw/zinc/34/85/43/659348543.db2.gz HEQLRVNARHSDSM-BDAKNGLRSA-N 0 0 306.409 0.981 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000124087513 659639220 /nfs/dbraw/zinc/63/92/20/659639220.db2.gz LFBKCMASPAGANF-IUODEOHRSA-N 0 0 308.382 0.265 10 0 DCAERN CO[C@H](C(=O)N1CCC[C@H]1Cn1ccnc1)c1cnn(C)c1 ZINC000282868302 659660650 /nfs/dbraw/zinc/66/06/50/659660650.db2.gz UVIBYUIXCRQFQR-KBPBESRZSA-N 0 0 303.366 0.995 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)[nH]1 ZINC000333136527 659771119 /nfs/dbraw/zinc/77/11/19/659771119.db2.gz JLWAQNSYXWQTRR-QWRGUYRKSA-N 0 0 317.393 0.793 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)c1c(C)sc(C)c1C ZINC000722571962 661402499 /nfs/dbraw/zinc/40/24/99/661402499.db2.gz WXKBBOPOTLRAHS-VIFPVBQESA-N 0 0 307.393 0.486 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000222650878 661626130 /nfs/dbraw/zinc/62/61/30/661626130.db2.gz KBYZFQYHPCZTKQ-ZIAGYGMSSA-N 0 0 303.362 0.823 10 0 DCAERN COC(=O)N1CCC[C@@H](NC(=O)c2cn3cccnc3n2)C1 ZINC000726558939 661660364 /nfs/dbraw/zinc/66/03/64/661660364.db2.gz ZKVMHIVHODOOHZ-SNVBAGLBSA-N 0 0 303.322 0.690 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000182425440 665808609 /nfs/dbraw/zinc/80/86/09/665808609.db2.gz XKBWBLOASBQDLQ-LBPRGKRZSA-N 0 0 321.377 0.739 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721810831 662103160 /nfs/dbraw/zinc/10/31/60/662103160.db2.gz IJSVMAVIUSIWIB-ZJUUUORDSA-N 0 0 303.428 0.396 10 0 DCAERN CCOC(=O)c1cn(CN2CCS(=O)(=O)[C@H](C)C2)nc1C ZINC000151580959 662133520 /nfs/dbraw/zinc/13/35/20/662133520.db2.gz DTKSYGYGTMGWQN-SNVBAGLBSA-N 0 0 315.395 0.445 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc2c1OCCO2 ZINC000727855170 662256336 /nfs/dbraw/zinc/25/63/36/662256336.db2.gz WOPFUXPEFUVINV-GFCCVEGCSA-N 0 0 322.386 0.995 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)nc1C ZINC000721841287 662561998 /nfs/dbraw/zinc/56/19/98/662561998.db2.gz YDZDYRYDZKUFHB-NSHDSACASA-N 0 0 301.412 0.993 10 0 DCAERN CC(=O)N1C[C@@H](C(=O)OC[C@@H]2COCCO2)Oc2ccccc21 ZINC000729105346 662634275 /nfs/dbraw/zinc/63/42/75/662634275.db2.gz GFWBCVOXAFGRPL-WFASDCNBSA-N 0 0 321.329 0.759 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)OCCN2CCNC2=O)cn1 ZINC000729203957 662647029 /nfs/dbraw/zinc/64/70/29/662647029.db2.gz NNVRBWVMUKPAAP-UHFFFAOYSA-N 0 0 308.338 0.389 10 0 DCAERN COCCn1cc(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)ccc1=O ZINC000729704557 662907763 /nfs/dbraw/zinc/90/77/63/662907763.db2.gz IWEGRTVTINJYHP-CQSZACIVSA-N 0 0 324.377 0.764 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)C(=O)N(C)C ZINC000729703797 662907821 /nfs/dbraw/zinc/90/78/21/662907821.db2.gz LLBOZTODASOWEA-CYBMUJFWSA-N 0 0 317.349 0.932 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000346429196 663172819 /nfs/dbraw/zinc/17/28/19/663172819.db2.gz YOJQXBPXKBADOL-UWVGGRQHSA-N 0 0 300.380 0.436 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCn1ccnn1 ZINC000182917210 665936337 /nfs/dbraw/zinc/93/63/37/665936337.db2.gz LTKYTVVGKPISEN-NTCAYCPXSA-N 0 0 313.361 0.962 10 0 DCAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3OCCN(C)C3=O)C2)n1 ZINC000900605835 663260517 /nfs/dbraw/zinc/26/05/17/663260517.db2.gz ZHYJNMSTEVWCAS-KGLIPLIRSA-N 0 0 320.393 0.521 10 0 DCAERN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000900895423 663290980 /nfs/dbraw/zinc/29/09/80/663290980.db2.gz PKBIBMPUTLHQGF-UPJWGTAASA-N 0 0 322.409 0.747 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCC2(C(N)=O)CCOCC2)[nH]1 ZINC000436083209 663412844 /nfs/dbraw/zinc/41/28/44/663412844.db2.gz NSBVHRXRPHUVJY-UHFFFAOYSA-N 0 0 317.349 0.278 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000436593317 663510926 /nfs/dbraw/zinc/51/09/26/663510926.db2.gz DFIQUTTWYVYRTH-VIFPVBQESA-N 0 0 306.318 0.814 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@H]2CCCO2)ccc1F ZINC000070959687 665977720 /nfs/dbraw/zinc/97/77/20/665977720.db2.gz YOEQXCHDGPHDOY-SNVBAGLBSA-N 0 0 316.354 0.772 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)C1=O ZINC000908107504 663734022 /nfs/dbraw/zinc/73/40/22/663734022.db2.gz KPYOUZPHFRJLCV-VWPFQQQWSA-N 0 0 324.421 0.776 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnn2c1CCCC2 ZINC000909167668 663785314 /nfs/dbraw/zinc/78/53/14/663785314.db2.gz OACVHEBCRYSKSW-MRVWCRGKSA-N 0 0 301.350 0.520 10 0 DCAERN COC(=O)C12CC(C(=O)N[C@@H]3C[C@@H](O)[C@H]3n3cccn3)(C1)C2 ZINC000909192356 663786157 /nfs/dbraw/zinc/78/61/57/663786157.db2.gz AQFSOTDICWCHIT-NCPXAXJUSA-N 0 0 305.334 0.017 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CNC(=O)N2CCCC2)C1 ZINC000911372610 664044991 /nfs/dbraw/zinc/04/49/91/664044991.db2.gz WJRMHGMCCCVXFK-NEPJUHHUSA-N 0 0 321.381 0.504 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccnc1Cl ZINC000163731870 664357224 /nfs/dbraw/zinc/35/72/24/664357224.db2.gz OQDUGARWXWWFDJ-IUCAKERBSA-N 0 0 324.768 0.786 10 0 DCAERN CNC(=O)CCn1c2ccccc2nc(N2CCOCC2)c1=O ZINC000222918175 664393487 /nfs/dbraw/zinc/39/34/87/664393487.db2.gz QHYDLBNRSWOFBZ-UHFFFAOYSA-N 0 0 316.361 0.369 10 0 DCAERN Cc1c(CC(=O)NCc2nc3ccccc3[nH]2)ncn(C)c1=O ZINC000222945210 664396644 /nfs/dbraw/zinc/39/66/44/664396644.db2.gz JSYGVTOBHWGDID-UHFFFAOYSA-N 0 0 311.345 0.824 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)c1ccccn1 ZINC000223624699 664418003 /nfs/dbraw/zinc/41/80/03/664418003.db2.gz PJAUCMYRMMRCTD-UHFFFAOYSA-N 0 0 319.405 0.940 10 0 DCAERN Cc1c(C(=O)N[C@H](CO)Cc2ccccc2)nn2c1OCC2 ZINC000223828827 664423805 /nfs/dbraw/zinc/42/38/05/664423805.db2.gz FXNUUXCCMPZARU-ZDUSSCGKSA-N 0 0 301.346 0.917 10 0 DCAERN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2nn3c(c2F)OCC3)C1 ZINC000223846111 664425934 /nfs/dbraw/zinc/42/59/34/664425934.db2.gz KVNCGMHWTXLMSS-JTQLQIEISA-N 0 0 324.356 0.791 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1C ZINC000228065050 664544287 /nfs/dbraw/zinc/54/42/87/664544287.db2.gz RQIVPTUZLPFBEQ-YUMQZZPRSA-N 0 0 321.786 0.503 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000171644573 664611540 /nfs/dbraw/zinc/61/15/40/664611540.db2.gz MKVIDBSQBUEYEA-CYBMUJFWSA-N 0 0 321.425 0.725 10 0 DCAERN O=C(O[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2cncn2)c1 ZINC000172187429 664617325 /nfs/dbraw/zinc/61/73/25/664617325.db2.gz GSLUZVZSLMEUJA-GFCCVEGCSA-N 0 0 307.331 0.611 10 0 DCAERN COC1CC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 ZINC000230658431 664623318 /nfs/dbraw/zinc/62/33/18/664623318.db2.gz OCKDUCSLZYOWPB-UHFFFAOYSA-N 0 0 302.327 0.380 10 0 DCAERN CC(C)c1nnnn1CC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000173453658 664629453 /nfs/dbraw/zinc/62/94/53/664629453.db2.gz KEUYBEAXENRBTI-UHFFFAOYSA-N 0 0 313.325 0.411 10 0 DCAERN O=c1n(CN2CCO[C@H](c3nccs3)C2)nc2ccccn21 ZINC000152255070 664742198 /nfs/dbraw/zinc/74/21/98/664742198.db2.gz BNLRINGDKNLJBY-NSHDSACASA-N 0 0 317.374 0.984 10 0 DCAERN CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1=COCCC1 ZINC000730852958 664820910 /nfs/dbraw/zinc/82/09/10/664820910.db2.gz WXCRFWQZNKCTOX-UHFFFAOYSA-N 0 0 312.366 0.597 10 0 DCAERN CCCCCCOCC(=O)OCC(=O)N1CCNC(=O)C1 ZINC000730858913 664821157 /nfs/dbraw/zinc/82/11/57/664821157.db2.gz QKATZZCPZFGGJS-UHFFFAOYSA-N 0 0 300.355 0.085 10 0 DCAERN O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000732286006 664912003 /nfs/dbraw/zinc/91/20/03/664912003.db2.gz MUNHRNDOYYXSOG-CYBMUJFWSA-N 0 0 306.410 0.977 10 0 DCAERN CNC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2ccccc2)CCCC1 ZINC000733145145 665076857 /nfs/dbraw/zinc/07/68/57/665076857.db2.gz SWKLGJPYPYWSLC-GFCCVEGCSA-N 0 0 317.389 0.980 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)C[C@H]1CO ZINC000328613105 665079058 /nfs/dbraw/zinc/07/90/58/665079058.db2.gz QTRYTEQUNUFNDV-KOLCDFICSA-N 0 0 311.359 0.606 10 0 DCAERN Cn1ncc2c1nnn(Cc1cnn(-c3ccccc3)n1)c2=O ZINC000154502200 665141983 /nfs/dbraw/zinc/14/19/83/665141983.db2.gz ODMQKJDVSYSBRQ-UHFFFAOYSA-N 0 0 308.305 0.154 10 0 DCAERN O=C(C1=CCCCO1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000175008177 665311498 /nfs/dbraw/zinc/31/14/98/665311498.db2.gz ZEPCJOHTPKMODX-UHFFFAOYSA-N 0 0 314.349 0.467 10 0 DCAERN CC(C)[C@@H](C)CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000179571501 665383510 /nfs/dbraw/zinc/38/35/10/665383510.db2.gz IFOPGLZFYZCOPL-LBPRGKRZSA-N 0 0 306.428 0.952 10 0 DCAERN CO[C@@H]1CCC[C@H](OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000073509329 665388969 /nfs/dbraw/zinc/38/89/69/665388969.db2.gz VWFJJKPETJFMRC-NAISLTENSA-N 0 0 322.361 0.598 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183288565 666018241 /nfs/dbraw/zinc/01/82/41/666018241.db2.gz ACDZRVNXTJZHHO-KBPBESRZSA-N 0 0 310.394 0.999 10 0 DCAERN C[C@@H](CCn1cccn1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000183840222 666124223 /nfs/dbraw/zinc/12/42/23/666124223.db2.gz GZZVVOUXRPSMKJ-NWDGAFQWSA-N 0 0 315.395 0.629 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCOC[C@@H]1CCOC1 ZINC000354136220 666152982 /nfs/dbraw/zinc/15/29/82/666152982.db2.gz HNYQDXNNKWXISY-QWHCGFSZSA-N 0 0 316.423 0.467 10 0 DCAERN O=C(c1cc(Br)cnc1F)N1CCO[C@H](CO)C1 ZINC000700849654 666774209 /nfs/dbraw/zinc/77/42/09/666774209.db2.gz VLUXEEWASHEHHP-QMMMGPOBSA-N 0 0 319.130 0.817 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CCNC(=O)c1cccs1 ZINC000701232502 666820087 /nfs/dbraw/zinc/82/00/87/666820087.db2.gz RNIXPWNIMIEWEW-VIFPVBQESA-N 0 0 300.380 0.992 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)NCC[S@@](=O)CC)C1 ZINC000733879346 666823452 /nfs/dbraw/zinc/82/34/52/666823452.db2.gz MBUCSRJEWQLUEE-YUNKPMOVSA-N 0 0 302.440 0.910 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1c2ccccc2OCCC1=O ZINC000733960589 666832322 /nfs/dbraw/zinc/83/23/22/666832322.db2.gz JIBIYQPRASJLHK-JOCHJYFZSA-N 0 0 324.402 0.687 10 0 DCAERN CC[S@](=O)CCNC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000733958999 666832336 /nfs/dbraw/zinc/83/23/36/666832336.db2.gz CWSKEVBAGANUBN-YBTHPKLGSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1[nH]nc(C)c1Br ZINC000733959744 666832369 /nfs/dbraw/zinc/83/23/69/666832369.db2.gz DIPAMPPASRRAJO-MRXNPFEDSA-N 0 0 308.201 0.979 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCn1cc(Br)cn1 ZINC000733962318 666832398 /nfs/dbraw/zinc/83/23/98/666832398.db2.gz LFBGYUIMHBFTRM-QGZVFWFLSA-N 0 0 322.228 0.921 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000733963461 666832784 /nfs/dbraw/zinc/83/27/84/666832784.db2.gz RMSGXSXSUVBFGH-OAQYLSRUSA-N 0 0 311.407 0.417 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000733966363 666832949 /nfs/dbraw/zinc/83/29/49/666832949.db2.gz QWFPJIRXEOIPIR-LJQANCHMSA-N 0 0 318.420 0.093 10 0 DCAERN Cc1csc([C@H](C)NC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000735008247 666934902 /nfs/dbraw/zinc/93/49/02/666934902.db2.gz JMUCSWARSUYJED-QMMMGPOBSA-N 0 0 308.363 0.340 10 0 DCAERN CC[S@](=O)CCNc1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000735075471 666941930 /nfs/dbraw/zinc/94/19/30/666941930.db2.gz IYTQJUSVZLQXCB-GTJPDFRWSA-N 0 0 312.439 0.866 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCC(=O)N1CCCCC1 ZINC000735091768 666950539 /nfs/dbraw/zinc/95/05/39/666950539.db2.gz QSHPOIAFFWHGDJ-FQEVSTJZSA-N 0 0 303.428 0.457 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000735099546 666952340 /nfs/dbraw/zinc/95/23/40/666952340.db2.gz IMDQSVDSHMRDFP-QFIPXVFZSA-N 0 0 322.394 0.230 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000735112360 666954673 /nfs/dbraw/zinc/95/46/73/666954673.db2.gz VGJUQPGUKKYJAX-JJQCHNSYSA-N 0 0 312.457 0.218 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(c2ccccn2)CC1 ZINC000735112272 666954774 /nfs/dbraw/zinc/95/47/74/666954774.db2.gz UIRWYDYGZFUHIJ-OAQYLSRUSA-N 0 0 310.423 0.682 10 0 DCAERN CO[C@@](C)(CO)CNC(=O)c1ccnc(Br)c1 ZINC000702516579 666964347 /nfs/dbraw/zinc/96/43/47/666964347.db2.gz DKLPVOZHOPKTMJ-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1C ZINC000735201731 666968370 /nfs/dbraw/zinc/96/83/70/666968370.db2.gz XDTOVDBSOCOPHO-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cnc[nH]2)[C@H](O)C1 ZINC000702818298 666999984 /nfs/dbraw/zinc/99/99/84/666999984.db2.gz VSZZSTKOFMUZSY-MWLCHTKSSA-N 0 0 310.354 0.367 10 0 DCAERN COC(=O)N1CCC[C@@H](NC(=O)N(C)Cc2cnccn2)C1 ZINC000735579803 667006853 /nfs/dbraw/zinc/00/68/53/667006853.db2.gz MIHJAIPHZMEEKT-LLVKDONJSA-N 0 0 307.354 0.849 10 0 DCAERN Cc1nnc(CN2CCN(Cc3ncc(Cl)n3C)CC2)[nH]1 ZINC000735872509 667048827 /nfs/dbraw/zinc/04/88/27/667048827.db2.gz HNWCPVNMLMDVEO-UHFFFAOYSA-N 0 0 309.805 0.818 10 0 DCAERN CCS(=O)(=O)CCN[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703357837 667083188 /nfs/dbraw/zinc/08/31/88/667083188.db2.gz RYCOWXOEXUCILQ-JTQLQIEISA-N 0 0 308.400 0.562 10 0 DCAERN COCCC1CCN(S(=O)(=O)c2cnc(N)nc2)CC1 ZINC000704215274 667196099 /nfs/dbraw/zinc/19/60/99/667196099.db2.gz MQGAACYUFTXXAH-UHFFFAOYSA-N 0 0 300.384 0.496 10 0 DCAERN C[C@@H]1CN(Cn2nccc2-c2cccnc2)C[C@H](C(N)=O)O1 ZINC000120213241 667280778 /nfs/dbraw/zinc/28/07/78/667280778.db2.gz WWUBSKZBZYEXQP-BXUZGUMPSA-N 0 0 301.350 0.477 10 0 DCAERN Cn1ncc(C(=O)N2CC=CCN2)c1I ZINC000705173353 667285534 /nfs/dbraw/zinc/28/55/34/667285534.db2.gz GITIKLHINFOBIT-UHFFFAOYSA-N 0 0 318.118 0.541 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000864841466 667288362 /nfs/dbraw/zinc/28/83/62/667288362.db2.gz MKPQTRBNFOJJBJ-SECBINFHSA-N 0 0 302.338 0.601 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120380116 667304682 /nfs/dbraw/zinc/30/46/82/667304682.db2.gz UABYLQHDPIMBCO-KBPBESRZSA-N 0 0 308.403 0.628 10 0 DCAERN CCC[C@H](CNC(=O)C[C@H]1CS(=O)(=O)CCN1)OCC ZINC000705386436 667307109 /nfs/dbraw/zinc/30/71/09/667307109.db2.gz ITALXJGRYPFWFG-NWDGAFQWSA-N 0 0 306.428 0.085 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000705620069 667351775 /nfs/dbraw/zinc/35/17/75/667351775.db2.gz HDJPKCDOTQNVPZ-UWVGGRQHSA-N 0 0 308.400 0.560 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCNC(=O)CC2(C)C)c1Cl ZINC000708145138 667442096 /nfs/dbraw/zinc/44/20/96/667442096.db2.gz RLZDRHCARPPPQU-UHFFFAOYSA-N 0 0 320.802 0.363 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2C)C1=O ZINC000709121194 667444202 /nfs/dbraw/zinc/44/42/02/667444202.db2.gz WMUPVSDQIHQQHS-VIFPVBQESA-N 0 0 317.798 0.943 10 0 DCAERN O=c1n(CN2CCO[C@H](c3ccsc3)C2)nc2cnccn21 ZINC000133665746 667470655 /nfs/dbraw/zinc/47/06/55/667470655.db2.gz ZHFBUCDRWUKPCD-LBPRGKRZSA-N 0 0 317.374 0.984 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000134272626 667528621 /nfs/dbraw/zinc/52/86/21/667528621.db2.gz XYBSJAJPNYZRHD-OIBJUYFYSA-N 0 0 318.782 0.895 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@H]21 ZINC000886035257 667726156 /nfs/dbraw/zinc/72/61/56/667726156.db2.gz NZTOLERIFBCAPP-CHWSQXEVSA-N 0 0 301.350 0.784 10 0 DCAERN CC(=O)NCc1cc(O[C@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000886080264 667729545 /nfs/dbraw/zinc/72/95/45/667729545.db2.gz RRWIOGPNTAEKLE-ZDUSSCGKSA-N 0 0 313.379 0.130 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)Nc1nccn1CC(C)C)N(C)C2 ZINC000886082283 667730266 /nfs/dbraw/zinc/73/02/66/667730266.db2.gz SIEVTKOXOZDVKG-GFCCVEGCSA-N 0 0 317.397 0.892 10 0 DCAERN Cc1ccn(C)c1C(=O)N1CCC[C@](O)(Cc2nncn2C)C1 ZINC000886085019 667730316 /nfs/dbraw/zinc/73/03/16/667730316.db2.gz UVTMQHVUKXSOEQ-INIZCTEOSA-N 0 0 317.393 0.672 10 0 DCAERN Cc1noc(C[C@]2(O)CCCN(C(=O)CCn3cccn3)C2)n1 ZINC000886097019 667732022 /nfs/dbraw/zinc/73/20/22/667732022.db2.gz RLJYIOJIZIOGDP-OAHLLOKOSA-N 0 0 319.365 0.561 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@@H](O)[C@@H](C)O)c1cccs1 ZINC000717377569 667734526 /nfs/dbraw/zinc/73/45/26/667734526.db2.gz CEJHEWWAERKMGF-FBIMIBRVSA-N 0 0 300.380 0.173 10 0 DCAERN COc1nsc(CNC[C@H](O)[C@@H](C)O)c1Br ZINC000717389242 667750411 /nfs/dbraw/zinc/75/04/11/667750411.db2.gz VJZKBFLYEKHGCA-RITPCOANSA-N 0 0 311.201 0.746 10 0 DCAERN COc1nsc(CNC[C@H](O)[C@H](C)O)c1Br ZINC000717389243 667750657 /nfs/dbraw/zinc/75/06/57/667750657.db2.gz VJZKBFLYEKHGCA-WDSKDSINSA-N 0 0 311.201 0.746 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000741420139 667770508 /nfs/dbraw/zinc/77/05/08/667770508.db2.gz XLCBDFHPUJVTRK-QKKBWIMNSA-N 0 0 312.435 0.905 10 0 DCAERN C[C@H]1C[C@H](NC(=O)C2=COCCC2)C(=O)N1c1cnn(C)c1 ZINC000742914745 667800876 /nfs/dbraw/zinc/80/08/76/667800876.db2.gz ZJACFPOCLQRHAB-GWCFXTLKSA-N 0 0 304.350 0.724 10 0 DCAERN CC1(C)CO[C@@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000717540852 667869061 /nfs/dbraw/zinc/86/90/61/667869061.db2.gz CQGNYWFSPTZNAM-SECBINFHSA-N 0 0 318.420 0.940 10 0 DCAERN C[C@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000124942061 668169897 /nfs/dbraw/zinc/16/98/97/668169897.db2.gz RKVPZXDUFLVXED-UWVGGRQHSA-N 0 0 302.421 0.702 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCN1CCO ZINC000187275189 668181043 /nfs/dbraw/zinc/18/10/43/668181043.db2.gz DTEAFBYLWJLTIW-DOMZBBRYSA-N 0 0 310.369 0.774 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NC1CCCCCCC1 ZINC000126439739 668583455 /nfs/dbraw/zinc/58/34/55/668583455.db2.gz ZPWIIRXKDXQPSZ-CYBMUJFWSA-N 0 0 302.440 0.992 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1ccc(F)cc1 ZINC000126433063 668581993 /nfs/dbraw/zinc/58/19/93/668581993.db2.gz ITPCCXVWSVKXQV-ZDUSSCGKSA-N 0 0 314.382 0.261 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)OCO2 ZINC000126470614 668599773 /nfs/dbraw/zinc/59/97/73/668599773.db2.gz ONHWCZLXAAYKLJ-JTQLQIEISA-N 0 0 312.347 0.131 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@H]1C[C@H]1c1ccccc1 ZINC000126710244 668646442 /nfs/dbraw/zinc/64/64/42/668646442.db2.gz RFWTZEUPVLCFIY-RDBSUJKOSA-N 0 0 308.403 0.435 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(F)cc1F ZINC000126728485 668651988 /nfs/dbraw/zinc/65/19/88/668651988.db2.gz GFJMVZBNOVSQRN-LLVKDONJSA-N 0 0 318.345 0.358 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1nc2ccccc2[nH]1 ZINC000126767659 668657082 /nfs/dbraw/zinc/65/70/82/668657082.db2.gz PJUHFFIGIMHOIM-SECBINFHSA-N 0 0 308.363 0.278 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](CO)c1ccccc1 ZINC000127182682 668738008 /nfs/dbraw/zinc/73/80/08/668738008.db2.gz NOKYHHRAKAPNNO-ZIAGYGMSSA-N 0 0 308.403 0.800 10 0 DCAERN Cn1cc([C@H]2CCCN2Cn2nnc3c(cnn3C)c2=O)cn1 ZINC000132569978 669732286 /nfs/dbraw/zinc/73/22/86/669732286.db2.gz TYIPGEGEDYUUNL-GFCCVEGCSA-N 0 0 314.353 0.053 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cn1nnc2c(cnn2C)c1=O ZINC000132752365 669744560 /nfs/dbraw/zinc/74/45/60/669744560.db2.gz WTIOBLLVPPSSLU-SECBINFHSA-N 0 0 322.369 0.145 10 0 DCAERN CCOC(=O)c1cnn(CN2CCN(c3cccnn3)CC2)c1 ZINC000132968057 669760886 /nfs/dbraw/zinc/76/08/86/669760886.db2.gz ABYWZQANMGOJQM-UHFFFAOYSA-N 0 0 316.365 0.630 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159285900 669935763 /nfs/dbraw/zinc/93/57/63/669935763.db2.gz QBCLPFUNVWOLQW-CHWSQXEVSA-N 0 0 324.377 0.847 10 0 DCAERN Cn1cc([C@@H]2CCN(Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950019 669944998 /nfs/dbraw/zinc/94/49/98/669944998.db2.gz ZCERBAVJYGNQAK-GFCCVEGCSA-N 0 0 312.377 0.916 10 0 DCAERN Cc1ccc(-c2cc(C(=O)NN3CC(=O)NC3=O)[nH]n2)c(C)c1 ZINC000188364957 670005075 /nfs/dbraw/zinc/00/50/75/670005075.db2.gz AONYMIFFRSKVEL-UHFFFAOYSA-N 0 0 313.317 0.890 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)CCS(C)(=O)=O ZINC000076464985 670131473 /nfs/dbraw/zinc/13/14/73/670131473.db2.gz JVWBNKAHQWUKTC-UHFFFAOYSA-N 0 0 312.391 0.228 10 0 DCAERN C[C@@H]1[C@H](NCc2cn(C)nc2Br)CCS1(=O)=O ZINC000712403219 670148923 /nfs/dbraw/zinc/14/89/23/670148923.db2.gz YFHUPHDOTYIPTQ-VXNVDRBHSA-N 0 0 322.228 0.848 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CN1Cc2ccc(OC)cc2C1=O ZINC000189735529 670152907 /nfs/dbraw/zinc/15/29/07/670152907.db2.gz JZKJPVKSJHEPSY-CQSZACIVSA-N 0 0 303.362 0.819 10 0 DCAERN Cn1cc(CN2CC[C@@H](NC(N)=O)C2)c(Br)n1 ZINC000713841097 670170429 /nfs/dbraw/zinc/17/04/29/670170429.db2.gz RUYRAJBAXULNQK-MRVPVSSYSA-N 0 0 302.176 0.425 10 0 DCAERN Cn1cc(CN2CCC[C@H](C(N)=O)C2)c(Br)n1 ZINC000713861387 670170970 /nfs/dbraw/zinc/17/09/70/670170970.db2.gz UEDULPJPHXEBGE-QMMMGPOBSA-N 0 0 301.188 0.880 10 0 DCAERN C[C@@H]1CN(Cc2cn(C)nc2Br)CCS1(=O)=O ZINC000713857920 670171197 /nfs/dbraw/zinc/17/11/97/670171197.db2.gz CFGDYGQUSPYKRJ-MRVPVSSYSA-N 0 0 322.228 0.802 10 0 DCAERN NS(=O)(=O)C1(CNc2ncncc2Br)CC1 ZINC000713940093 670171951 /nfs/dbraw/zinc/17/19/51/670171951.db2.gz HEFKMRBDRWXNEE-UHFFFAOYSA-N 0 0 307.173 0.472 10 0 DCAERN COC[C@@H](C)OC[C@@H](O)CN(C)CC(C)(C)S(C)(=O)=O ZINC000713967674 670172737 /nfs/dbraw/zinc/17/27/37/670172737.db2.gz VWLXEYYSJFCCBC-NEPJUHHUSA-N 0 0 311.444 0.154 10 0 DCAERN CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000714299466 670183210 /nfs/dbraw/zinc/18/32/10/670183210.db2.gz RUALPQOTUOORMB-HAQNSBGRSA-N 0 0 303.428 0.469 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1sccc1Cl ZINC000714308096 670183950 /nfs/dbraw/zinc/18/39/50/670183950.db2.gz GTFGKCFMIVWFHJ-UHFFFAOYSA-N 0 0 309.800 0.281 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC(O)(C(=O)OC)C2)n1 ZINC000714410697 670185997 /nfs/dbraw/zinc/18/59/97/670185997.db2.gz QLJSZUZGJKBHAA-UHFFFAOYSA-N 0 0 301.730 0.391 10 0 DCAERN COC(=O)C1(O)CN(c2ncc(Br)cc2F)C1 ZINC000714462181 670188816 /nfs/dbraw/zinc/18/88/16/670188816.db2.gz KXCINDROTKRCQK-UHFFFAOYSA-N 0 0 305.103 0.707 10 0 DCAERN Nc1ncn(CC(=O)NCc2ncc(Br)s2)n1 ZINC000714912997 670196243 /nfs/dbraw/zinc/19/62/43/670196243.db2.gz PZIDZWMQJHLKNI-UHFFFAOYSA-N 0 0 317.172 0.396 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@H]2CSC(=O)N2)n1 ZINC000036815795 670197712 /nfs/dbraw/zinc/19/77/12/670197712.db2.gz HWNOCJLXBWYMOX-ZCFIWIBFSA-N 0 0 301.349 0.622 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCO[C@H]2CS(N)(=O)=O)C1 ZINC000757214199 670360570 /nfs/dbraw/zinc/36/05/70/670360570.db2.gz VNCZTSMMOJQUMR-GXFFZTMASA-N 0 0 320.411 0.691 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H](O)c2ccccc2)cn1 ZINC000194179891 670408783 /nfs/dbraw/zinc/40/87/83/670408783.db2.gz KDGAKQJRVBAGCV-ZDUSSCGKSA-N 0 0 317.349 0.484 10 0 DCAERN CC(=O)N[C@@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 ZINC000077444229 670411142 /nfs/dbraw/zinc/41/11/42/670411142.db2.gz LXRWHWLVNZPBLT-GFCCVEGCSA-N 0 0 301.350 0.350 10 0 DCAERN CC(=O)NCC(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000194501694 670435331 /nfs/dbraw/zinc/43/53/31/670435331.db2.gz MPWPNXPVXRFHTO-AWEZNQCLSA-N 0 0 304.346 0.860 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)N1CCOCC1 ZINC000195005447 670463475 /nfs/dbraw/zinc/46/34/75/670463475.db2.gz OJAVBAITUWUPBP-HNNXBMFYSA-N 0 0 308.378 0.948 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000190702163 670481274 /nfs/dbraw/zinc/48/12/74/670481274.db2.gz ZNNOAIIJFIZNLZ-GFCCVEGCSA-N 0 0 322.409 0.799 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)NC2(CCCCC2)C1=O ZINC000190709602 670482252 /nfs/dbraw/zinc/48/22/52/670482252.db2.gz HHEAARBHPFDROB-LLVKDONJSA-N 0 0 308.382 0.409 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000112299973 670580108 /nfs/dbraw/zinc/58/01/08/670580108.db2.gz AJBAPIWYZDUDJV-OVWNDWIMSA-N 0 0 306.453 0.571 10 0 DCAERN C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccnc1 ZINC000113472954 670730993 /nfs/dbraw/zinc/73/09/93/670730993.db2.gz NGULXGXPFLUPIO-JTQLQIEISA-N 0 0 313.317 0.829 10 0 DCAERN CCOC(=O)CN1CCC(COC(=O)c2cnn(C)c2)CC1 ZINC000110120442 671011282 /nfs/dbraw/zinc/01/12/82/671011282.db2.gz NKCLGHOWXCLBOD-UHFFFAOYSA-N 0 0 309.366 0.852 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2c3ccccc3oc2=O)C1 ZINC000116869945 671132076 /nfs/dbraw/zinc/13/20/76/671132076.db2.gz QDTQCVISTKUOMB-JTQLQIEISA-N 0 0 311.363 0.176 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@@H](O)[C@@H](CO)C2)n1 ZINC000396911371 685271753 /nfs/dbraw/zinc/27/17/53/685271753.db2.gz MOEDREFKGHRPMI-NXEZZACHSA-N 0 0 301.774 0.846 10 0 DCAERN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)S(N)(=O)=O ZINC000398324164 685274402 /nfs/dbraw/zinc/27/44/02/685274402.db2.gz IKMGTICTHXZEAW-ZCFIWIBFSA-N 0 0 321.742 0.655 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CCC(CO)(CO)C1)C1CC1 ZINC000718017473 685304246 /nfs/dbraw/zinc/30/42/46/685304246.db2.gz VVRBVVKDINBLTO-UHFFFAOYSA-N 0 0 305.440 0.819 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CCN(CCO)CC1)C1CC1 ZINC000717966272 685303684 /nfs/dbraw/zinc/30/36/84/685303684.db2.gz CVSZEXWCIAPJIU-UHFFFAOYSA-N 0 0 304.456 0.752 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC=CCCC1 ZINC000719045683 685307977 /nfs/dbraw/zinc/30/79/77/685307977.db2.gz CHZFLRPNGWBEBO-GFCCVEGCSA-N 0 0 301.412 0.389 10 0 DCAERN C[C@H]1CCN(C(=O)c2c(Br)nnn2C)CCO1 ZINC000720431060 685313070 /nfs/dbraw/zinc/31/30/70/685313070.db2.gz REMHNMJYVVENQP-ZETCQYMHSA-N 0 0 303.160 0.829 10 0 DCAERN O=C([O-])c1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)s1 ZINC000721988953 685319092 /nfs/dbraw/zinc/31/90/92/685319092.db2.gz SHHQPUNZXQZUAS-UHFFFAOYSA-N 0 0 318.420 0.962 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000037840110 685055620 /nfs/dbraw/zinc/05/56/20/685055620.db2.gz HUUWEOOQQSLEMS-UHFFFAOYSA-N 0 0 300.384 0.207 10 0 DCAERN COc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000096787514 685113045 /nfs/dbraw/zinc/11/30/45/685113045.db2.gz UWSBMZDURZKJFW-UHFFFAOYSA-N 0 0 321.358 0.668 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1Cn1nc(CO)n(C)c1=S ZINC000189768081 685152719 /nfs/dbraw/zinc/15/27/19/685152719.db2.gz CLAAQLOOUXYDOG-SNVBAGLBSA-N 0 0 313.427 0.247 10 0 DCAERN COC(=O)[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246935135 685168280 /nfs/dbraw/zinc/16/82/80/685168280.db2.gz DSTYLSCSFDVULH-JHJVBQTASA-N 0 0 306.362 0.780 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000247251845 685171165 /nfs/dbraw/zinc/17/11/65/685171165.db2.gz YWYAEAJRIOWDQB-ZIAGYGMSSA-N 0 0 324.425 0.461 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000249177483 685178322 /nfs/dbraw/zinc/17/83/22/685178322.db2.gz FZFPPWGUSGZYHB-MELADBBJSA-N 0 0 319.405 0.742 10 0 DCAERN NC(=O)CN1CCCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040331859 1157394813 /nfs/dbraw/zinc/39/48/13/1157394813.db2.gz BBIIAHFMFUAUSY-UHFFFAOYSA-N 0 0 310.785 0.555 10 0 DCAERN Cn1cc(CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)nn1 ZINC000389820152 1157528986 /nfs/dbraw/zinc/52/89/86/1157528986.db2.gz CFZQKTLSZMOOOE-GFCCVEGCSA-N 0 0 310.354 0.963 10 0 DCAERN CNC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000397412865 1158099238 /nfs/dbraw/zinc/09/92/38/1158099238.db2.gz PVDWZMZJVIZUIZ-UHFFFAOYSA-N 0 0 300.702 0.907 10 0 DCAERN CNC(=O)NCCNC(=O)c1cc(Br)ccc1N ZINC000397417548 1158099673 /nfs/dbraw/zinc/09/96/73/1158099673.db2.gz JZCLLNAVDYYZIF-UHFFFAOYSA-N 0 0 315.171 0.690 10 0 DCAERN O=C(NCCn1cnccc1=O)c1ccc(Cn2ccnc2)cc1 ZINC000585238290 1158110864 /nfs/dbraw/zinc/11/08/64/1158110864.db2.gz XZNWJXXJAWUJBA-UHFFFAOYSA-N 0 0 323.356 0.918 10 0 DCAERN Cn1ccc(C2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 ZINC000585388913 1158111764 /nfs/dbraw/zinc/11/17/64/1158111764.db2.gz WAAMUMSHWJHOMG-UHFFFAOYSA-N 0 0 304.350 0.275 10 0 DCAERN O=C1C[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)CN1 ZINC000398414844 1158118610 /nfs/dbraw/zinc/11/86/10/1158118610.db2.gz VOGTZEHAENZXPA-ZCFIWIBFSA-N 0 0 307.734 0.289 10 0 DCAERN CC(=O)N1CCC(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000041362719 1171507156 /nfs/dbraw/zinc/50/71/56/1171507156.db2.gz GXLJGNNXOVFBIC-UHFFFAOYSA-N 0 0 324.469 0.389 10 0 DCAERN O=C(CNC(=O)c1ccccc1Cl)NCCOCCO ZINC000048580366 1171663022 /nfs/dbraw/zinc/66/30/22/1171663022.db2.gz QSUNBFJWTDDLDF-UHFFFAOYSA-N 0 0 300.742 0.195 10 0 DCAERN C#CCN(C(=S)N[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 ZINC000054974987 1171861386 /nfs/dbraw/zinc/86/13/86/1171861386.db2.gz QTKGIPHDODVOGO-MNOVXSKESA-N 0 0 304.437 0.018 10 0 DCAERN CC(C)C[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCOCC1 ZINC000062435334 1172984053 /nfs/dbraw/zinc/98/40/53/1172984053.db2.gz HLMYZIBRJSNGCQ-ZDUSSCGKSA-N 0 0 321.377 0.378 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC000089756424 1175345910 /nfs/dbraw/zinc/34/59/10/1175345910.db2.gz GNJUCDQKMHMLAS-VIFPVBQESA-N 0 0 316.766 0.732 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000096369632 1175874514 /nfs/dbraw/zinc/87/45/14/1175874514.db2.gz XKFXOMBUONCALO-SNVBAGLBSA-N 0 0 308.363 0.077 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c(F)cc1N ZINC000228712967 1177528259 /nfs/dbraw/zinc/52/82/59/1177528259.db2.gz LUCQMQJCZLMLMJ-SSDOTTSWSA-N 0 0 304.318 0.806 10 0 DCAERN CS(=O)(=O)NC1CCN(C(=O)c2cccc(F)c2N)CC1 ZINC000156088899 1180555846 /nfs/dbraw/zinc/55/58/46/1180555846.db2.gz HCWHRKCTDSWZBQ-UHFFFAOYSA-N 0 0 315.370 0.562 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)N1CCCS(=O)(=O)CC1 ZINC000236343185 1180585645 /nfs/dbraw/zinc/58/56/45/1180585645.db2.gz GGPAWHVTQCQPAP-UHFFFAOYSA-N 0 0 304.318 0.808 10 0 DCAERN O=C(CCOc1ccccc1)NCCNC(=O)[C@H]1CCCO1 ZINC000169842242 1183610058 /nfs/dbraw/zinc/61/00/58/1183610058.db2.gz BXVHESBXURKUPG-CQSZACIVSA-N 0 0 306.362 0.867 10 0 DCAERN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1nnc2ccccc21 ZINC000172399481 1183845602 /nfs/dbraw/zinc/84/56/02/1183845602.db2.gz RTSCNTTVMZSFPY-QWRGUYRKSA-N 0 0 322.390 0.465 10 0 DCAERN O=C(NNC(=O)C1CC(=O)C1)c1cc(Br)c[nH]1 ZINC000183490357 1185194044 /nfs/dbraw/zinc/19/40/44/1185194044.db2.gz OPIGIIAXGNHSOV-UHFFFAOYSA-N 0 0 300.112 0.517 10 0 DCAERN O=C(NCCNC(=O)c1ccc2c(c1)NC(=O)C2)c1ccco1 ZINC000188203988 1187605739 /nfs/dbraw/zinc/60/57/39/1187605739.db2.gz KAZVPSZVXYCIEE-UHFFFAOYSA-N 0 0 313.313 0.934 10 0 DCAERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000188882214 1187821783 /nfs/dbraw/zinc/82/17/83/1187821783.db2.gz NDIUJTOCRANOEP-UONOGXRCSA-N 0 0 305.378 0.744 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC000189087672 1187869558 /nfs/dbraw/zinc/86/95/58/1187869558.db2.gz VZEWKRPDDLVIDH-CQSZACIVSA-N 0 0 315.377 0.804 10 0 DCAERN Cc1noc([C@@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917261 1188106521 /nfs/dbraw/zinc/10/65/21/1188106521.db2.gz DFWFRSGAJAGKHI-SCZZXKLOSA-N 0 0 318.399 0.471 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907076 1190385439 /nfs/dbraw/zinc/38/54/39/1190385439.db2.gz SNVHOVQTQSQBHN-LILOVNGRSA-N 0 0 318.420 0.169 10 0 DCAERN CCOC[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307906599 1190385535 /nfs/dbraw/zinc/38/55/35/1190385535.db2.gz RDAVOKQYKFQBKW-VIFPVBQESA-N 0 0 300.380 0.827 10 0 DCAERN Cc1[nH]c(=S)sc1CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388148411 1190700138 /nfs/dbraw/zinc/70/01/38/1190700138.db2.gz JQOFDBZWAUWESE-KNVOCYPGSA-N 0 0 311.388 0.014 10 0 DCAERN Cn1cc(Br)c(CNc2ccc3nnnn3n2)n1 ZINC000393349274 1190702159 /nfs/dbraw/zinc/70/21/59/1190702159.db2.gz QWSGYQFSTVHKJQ-UHFFFAOYSA-N 0 0 309.131 0.049 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000402594593 747243056 /nfs/dbraw/zinc/24/30/56/747243056.db2.gz NPYNIJSCADEGPF-NSHDSACASA-N 0 0 323.802 0.236 10 0 DCAERN NC(=O)NC[C@H]1CCCCN1C(=O)/C=C\c1cncc(O)c1 ZINC000588409127 747249525 /nfs/dbraw/zinc/24/95/25/747249525.db2.gz RJQDVDSOFDBXBK-QMAVJUDZSA-N 0 0 304.350 0.850 10 0 DCAERN CC(C)(CNS(=O)(=O)c1cccnc1F)S(C)(=O)=O ZINC000401812389 774066870 /nfs/dbraw/zinc/06/68/70/774066870.db2.gz GKPBEJGJPNTOPA-UHFFFAOYSA-N 0 0 310.372 0.322 10 0 DCAERN CCOC(CC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)OCC ZINC000407364909 774255473 /nfs/dbraw/zinc/25/54/73/774255473.db2.gz RVPQJWDCNDUNED-PHIMTYICSA-N 0 0 307.412 0.810 10 0 DCAERN Cn1nc(C(=O)NCCOC(F)(F)C(F)(F)F)cc1N ZINC000725143181 940640663 /nfs/dbraw/zinc/64/06/63/940640663.db2.gz IGAMQTLEFIBZRT-UHFFFAOYSA-N 0 0 302.203 0.904 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](F)[C@@H](F)C2)c(N)c1 ZINC000714655793 941760555 /nfs/dbraw/zinc/76/05/55/941760555.db2.gz OOSYWOHTVIDKLQ-AOOOYVTPSA-N 0 0 304.318 0.804 10 0 DCAERN Cc1ncc(CN(C)CC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000076744640 185037938 /nfs/dbraw/zinc/03/79/38/185037938.db2.gz WRQLCJATQWOUKN-LLVKDONJSA-N 0 0 310.423 0.607 10 0 DCAERN C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1ccnc1 ZINC000081800804 192327219 /nfs/dbraw/zinc/32/72/19/192327219.db2.gz UDNPWGVDRIXRKB-LBPRGKRZSA-N 0 0 313.361 0.979 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H](O)C(F)(F)F ZINC000408396796 529492515 /nfs/dbraw/zinc/49/25/15/529492515.db2.gz QQXNPKAIIBSMFZ-JGVFFNPUSA-N 0 0 318.317 0.128 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000181379486 199287824 /nfs/dbraw/zinc/28/78/24/199287824.db2.gz XMAQEAWRXUFYTJ-NSHDSACASA-N 0 0 316.427 0.611 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000193901042 295699784 /nfs/dbraw/zinc/69/97/84/295699784.db2.gz DHKBHFQHWVCLPV-CMPLNLGQSA-N 0 0 314.411 0.364 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NCC(=O)N(C)C)CC2 ZINC000181403258 199292095 /nfs/dbraw/zinc/29/20/95/199292095.db2.gz ZEJUTYNMBZROGH-SNVBAGLBSA-N 0 0 308.386 0.104 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000092367187 529768741 /nfs/dbraw/zinc/76/87/41/529768741.db2.gz UCQXEYVSFFFBHB-UHFFFAOYSA-N 0 0 314.411 0.090 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)NCCn2ccnc2)C1 ZINC000276107090 529788447 /nfs/dbraw/zinc/78/84/47/529788447.db2.gz WVEBDTWWTVENMD-HNNXBMFYSA-N 0 0 321.425 0.635 10 0 DCAERN CN(C)c1ccnc(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000302004570 529798041 /nfs/dbraw/zinc/79/80/41/529798041.db2.gz KINGCTPSSXKEJA-UHFFFAOYSA-N 0 0 313.427 0.075 10 0 DCAERN O=S(=O)(c1ccnc(N2CCC[C@H]2CO)c1)N1CCCC1 ZINC000279321468 214792465 /nfs/dbraw/zinc/79/24/65/214792465.db2.gz GFCLDKLUPUKWEI-LBPRGKRZSA-N 0 0 311.407 0.827 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000177283668 529874459 /nfs/dbraw/zinc/87/44/59/529874459.db2.gz GHNBZYQGYDFRCW-NSHDSACASA-N 0 0 323.340 0.931 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)C(C)C ZINC000178426071 529896873 /nfs/dbraw/zinc/89/68/73/529896873.db2.gz DRJOQTNGSVEGNN-JTQLQIEISA-N 0 0 300.403 0.219 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCc1nccn1C(F)F)C(C)C ZINC000178430456 529897218 /nfs/dbraw/zinc/89/72/18/529897218.db2.gz ZHUKCMCNIVFFDT-VIFPVBQESA-N 0 0 303.313 0.848 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1sccc1-n1cnnn1)C(C)C ZINC000178847188 529898487 /nfs/dbraw/zinc/89/84/87/529898487.db2.gz JXAFFSDWFINNJH-VIFPVBQESA-N 0 0 308.367 0.224 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000179279976 529902997 /nfs/dbraw/zinc/90/29/97/529902997.db2.gz HTUZXHFCTICPQA-UPJWGTAASA-N 0 0 324.425 0.696 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000178863638 529920614 /nfs/dbraw/zinc/92/06/14/529920614.db2.gz RVYXQZAHXRERRJ-CYBMUJFWSA-N 0 0 305.378 0.889 10 0 DCAERN CNC(=O)c1ccn([C@H]2CCCN(c3nccc(OC)n3)C2)n1 ZINC000275682684 529952667 /nfs/dbraw/zinc/95/26/67/529952667.db2.gz QJFGSRYBISPFSZ-NSHDSACASA-N 0 0 316.365 0.883 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@]1(CO)CCOC1 ZINC000329326201 282347847 /nfs/dbraw/zinc/34/78/47/282347847.db2.gz WLYLCPFGVRZTAQ-LZWOXQAQSA-N 0 0 312.410 0.240 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](c2nncn2C)C1)C(C)C ZINC000108257961 185505392 /nfs/dbraw/zinc/50/53/92/185505392.db2.gz GNAVZQZOLNOXBW-NWDGAFQWSA-N 0 0 323.397 0.902 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1N1CCOCC1 ZINC000173973437 290774292 /nfs/dbraw/zinc/77/42/92/290774292.db2.gz HUFQETAETSPBFZ-XHDPSFHLSA-N 0 0 315.377 0.751 10 0 DCAERN O=C(CNC(=O)Cc1ccc(O)cc1)NC[C@@H]1CCCC[C@H]1O ZINC000272615766 210016611 /nfs/dbraw/zinc/01/66/11/210016611.db2.gz PFHQDEHAOIHDTN-DZGCQCFKSA-N 0 0 320.389 0.718 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000083737088 192380988 /nfs/dbraw/zinc/38/09/88/192380988.db2.gz CFUNXXUQLXRCBW-PWSUYJOCSA-N 0 0 318.381 0.484 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000286506505 282653689 /nfs/dbraw/zinc/65/36/89/282653689.db2.gz WYOCAEYRJITVIM-MBNYWOFBSA-N 0 0 301.346 0.615 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000171096325 197880586 /nfs/dbraw/zinc/88/05/86/197880586.db2.gz GMYOXSGDEZVRGR-SNVBAGLBSA-N 0 0 323.422 0.542 10 0 DCAERN C[C@H]1OCC[C@]1(O)CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000287155171 219348135 /nfs/dbraw/zinc/34/81/35/219348135.db2.gz RIQKVZQUYRLCGD-BMIGLBTASA-N 0 0 307.350 0.535 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1-n1cncn1 ZINC000173338244 186178291 /nfs/dbraw/zinc/17/82/91/186178291.db2.gz BWTSIBDKLDCNDD-CQSZACIVSA-N 0 0 315.377 0.636 10 0 DCAERN CCCn1c(C)cc(C(=O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179722797 186209969 /nfs/dbraw/zinc/20/99/69/186209969.db2.gz OMNAJOGMTJSNNX-CQSZACIVSA-N 0 0 307.394 0.884 10 0 DCAERN CCC1(CC)CN(C(=O)C(=O)c2cnn(C)c2)CC[S@]1=O ZINC000183878372 186226495 /nfs/dbraw/zinc/22/64/95/186226495.db2.gz LLZFVCKPOLWNFD-OAQYLSRUSA-N 0 0 311.407 0.753 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000183896014 186228312 /nfs/dbraw/zinc/22/83/12/186228312.db2.gz GYXUQFXOXYWTDG-INIZCTEOSA-N 0 0 304.346 0.951 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000253394511 186304326 /nfs/dbraw/zinc/30/43/26/186304326.db2.gz JMKRRZVGNIKMSM-HUUCEWRRSA-N 0 0 306.410 0.511 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2ccccn2)C1 ZINC000072364000 191132907 /nfs/dbraw/zinc/13/29/07/191132907.db2.gz SIOGKUILMIUXRX-CYBMUJFWSA-N 0 0 311.407 0.838 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172111790 198041039 /nfs/dbraw/zinc/04/10/39/198041039.db2.gz HKLHJKDETNYUKB-GFCCVEGCSA-N 0 0 307.398 0.691 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1CCOC ZINC000172229684 198060679 /nfs/dbraw/zinc/06/06/79/198060679.db2.gz WNEIVQYHPSRXCD-GFCCVEGCSA-N 0 0 324.381 0.491 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172397052 198091261 /nfs/dbraw/zinc/09/12/61/198091261.db2.gz SSTARNLBPZCEGL-CYBMUJFWSA-N 0 0 307.398 0.823 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1 ZINC000172352813 198084214 /nfs/dbraw/zinc/08/42/14/198084214.db2.gz KJWKOUJTBINXSD-NWDGAFQWSA-N 0 0 314.411 0.409 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CC[C@H](CO)C1 ZINC000172476729 198102932 /nfs/dbraw/zinc/10/29/32/198102932.db2.gz NDGDKQFJBBCLCI-QWHCGFSZSA-N 0 0 305.382 0.469 10 0 DCAERN CC1(C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)[C@H]2CCO[C@@H]21 ZINC000172594551 198119756 /nfs/dbraw/zinc/11/97/56/198119756.db2.gz XYCDPSPDRIBMGD-UPJWGTAASA-N 0 0 324.402 0.877 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1Cc1cnn(-c2ccccc2)n1 ZINC000172634443 198129716 /nfs/dbraw/zinc/12/97/16/198129716.db2.gz RIMLCEHIXGSRRS-GFCCVEGCSA-N 0 0 306.391 0.886 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)NCc1ccc(CO)c(F)c1 ZINC000172660754 198133928 /nfs/dbraw/zinc/13/39/28/198133928.db2.gz MSKOMLWGWQUJKM-LLVKDONJSA-N 0 0 303.355 0.774 10 0 DCAERN O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)NC1CC1 ZINC000172700389 198138930 /nfs/dbraw/zinc/13/89/30/198138930.db2.gz CWBVJKWIZQJUCI-QWHCGFSZSA-N 0 0 316.357 0.956 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172714889 198140699 /nfs/dbraw/zinc/14/06/99/198140699.db2.gz NVLWHYFXHLAYCB-WFASDCNBSA-N 0 0 318.377 0.196 10 0 DCAERN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000173406202 198211354 /nfs/dbraw/zinc/21/13/54/198211354.db2.gz XBKUTXCYPRYEKJ-GFCCVEGCSA-N 0 0 311.407 0.500 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC(F)F)C2=O)n(C)n1 ZINC000173560689 198226782 /nfs/dbraw/zinc/22/67/82/198226782.db2.gz NQVPBJCTFVQHRM-SECBINFHSA-N 0 0 315.324 0.788 10 0 DCAERN [NH3+][C@@]1(C(=O)[O-])CC[C@H](n2cc(I)cn2)C1 ZINC000086627128 545705932 /nfs/dbraw/zinc/70/59/32/545705932.db2.gz TZNXQNLVEHZKMV-CBAPKCEASA-N 0 0 321.118 0.995 10 0 DCAERN C[C@@H](C(=O)NC(C)(C)C(N)=O)n1nnc(-c2ccccc2)n1 ZINC000173742206 198246881 /nfs/dbraw/zinc/24/68/81/198246881.db2.gz WXKXWSQRFGUKTD-VIFPVBQESA-N 0 0 302.338 0.281 10 0 DCAERN COCCn1ccc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)n1 ZINC000174097687 198291054 /nfs/dbraw/zinc/29/10/54/198291054.db2.gz FCSPPHCTEHIQPL-LBPRGKRZSA-N 0 0 318.381 0.789 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCCCNc1cccc(F)c1 ZINC000182120075 199389545 /nfs/dbraw/zinc/38/95/45/199389545.db2.gz UYZKSASJXOADFR-UHFFFAOYSA-N 0 0 308.313 0.296 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCc2ccnn2C)c(C)o1 ZINC000175561599 198491920 /nfs/dbraw/zinc/49/19/20/198491920.db2.gz GZSUVGWUSZSTNB-UHFFFAOYSA-N 0 0 312.351 0.160 10 0 DCAERN CO[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)C ZINC000073218120 191293833 /nfs/dbraw/zinc/29/38/33/191293833.db2.gz UGCYLQXLYBXJHZ-LLVKDONJSA-N 0 0 321.381 0.307 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885532 283027516 /nfs/dbraw/zinc/02/75/16/283027516.db2.gz DOMXTVLXWQOFQL-OCCSQVGLSA-N 0 0 317.345 0.666 10 0 DCAERN CN1CC[C@@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C1=O ZINC000182791784 199490780 /nfs/dbraw/zinc/49/07/80/199490780.db2.gz MIZDEQIWFLWEEC-SECBINFHSA-N 0 0 304.272 0.796 10 0 DCAERN COc1cc(C(=O)NC[C@@H]2CN(C)CCO2)cc(OC)c1OC ZINC000074773265 191357842 /nfs/dbraw/zinc/35/78/42/191357842.db2.gz GAONINYKWPEGKT-GFCCVEGCSA-N 0 0 324.377 0.773 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2ccnn2C)oc1C ZINC000080254094 192016540 /nfs/dbraw/zinc/01/65/40/192016540.db2.gz LCLXGMRCFKCDHZ-UHFFFAOYSA-N 0 0 313.335 0.587 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000177628166 198753299 /nfs/dbraw/zinc/75/32/99/198753299.db2.gz CGXILTMCHKFULQ-ZDUSSCGKSA-N 0 0 313.361 0.910 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2cccc3c2OCCC3)CC1=O ZINC000371210090 283234371 /nfs/dbraw/zinc/23/43/71/283234371.db2.gz POQIBBHPBAJLER-LLVKDONJSA-N 0 0 317.345 0.297 10 0 DCAERN CCNS(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000178860702 198942956 /nfs/dbraw/zinc/94/29/56/198942956.db2.gz HWODNOJZAUNSIQ-QWRGUYRKSA-N 0 0 304.368 0.258 10 0 DCAERN O=S(=O)(NN[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000005895930 181293958 /nfs/dbraw/zinc/29/39/58/181293958.db2.gz WGZMXDITLPEUGY-SECBINFHSA-N 0 0 324.811 0.310 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000179789795 199081160 /nfs/dbraw/zinc/08/11/60/199081160.db2.gz IVGMSIYGFKNFLR-YPMHNXCESA-N 0 0 314.407 0.842 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N(C)C2(C(N)=O)CCCC2)CCO1 ZINC000408191227 297291193 /nfs/dbraw/zinc/29/11/93/297291193.db2.gz DWJLSOVKGKFNGM-MNOVXSKESA-N 0 0 304.412 0.614 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180337751 199147342 /nfs/dbraw/zinc/14/73/42/199147342.db2.gz VJOJVWFCMYMNOW-CHWSQXEVSA-N 0 0 309.414 0.843 10 0 DCAERN C[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)N1CCOCC1 ZINC000103003178 545731342 /nfs/dbraw/zinc/73/13/42/545731342.db2.gz PTQVRMQWAHQOJO-SNVBAGLBSA-N 0 0 324.402 0.798 10 0 DCAERN CCCN1CCN(C[C@H](C)CS(C)(=O)=O)C(C)(C)C1=O ZINC000187871686 283347802 /nfs/dbraw/zinc/34/78/02/283347802.db2.gz XWKBMDPFUBYAIQ-LBPRGKRZSA-N 0 0 304.456 1.000 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC000408266347 283357396 /nfs/dbraw/zinc/35/73/96/283357396.db2.gz YWSTZKOKMSCUCQ-ZDUSSCGKSA-N 0 0 309.410 0.810 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)CNC(=O)c1ccccn1 ZINC000180794592 199210482 /nfs/dbraw/zinc/21/04/82/199210482.db2.gz AHWJOOJZEDRSJM-UHFFFAOYSA-N 0 0 306.366 0.316 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000193954601 283380500 /nfs/dbraw/zinc/38/05/00/283380500.db2.gz MKDUFPZXPAZHQY-OLZOCXBDSA-N 0 0 309.410 0.810 10 0 DCAERN NC(=O)C1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000127701680 236964045 /nfs/dbraw/zinc/96/40/45/236964045.db2.gz LBYVARNTJVNJBZ-JTQLQIEISA-N 0 0 307.316 0.737 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)O1 ZINC000151669798 237001277 /nfs/dbraw/zinc/00/12/77/237001277.db2.gz XECAAQACGICYAF-AAEUAGOBSA-N 0 0 319.361 0.227 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCS1(=O)=O ZINC000155552507 237043047 /nfs/dbraw/zinc/04/30/47/237043047.db2.gz AHDHOTCJXALYCB-GFCCVEGCSA-N 0 0 308.403 0.695 10 0 DCAERN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)[C@H]1CCCO1 ZINC000156663037 237049142 /nfs/dbraw/zinc/04/91/42/237049142.db2.gz JWAXJYNPOLLXEK-AXFHLTTASA-N 0 0 306.428 0.634 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c2cnn(C)c2n1 ZINC000175615238 237190518 /nfs/dbraw/zinc/19/05/18/237190518.db2.gz YJFRCNBGPFNGHZ-CYBMUJFWSA-N 0 0 315.377 0.970 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccccc2N)C[C@]2(CCOC2)O1 ZINC000281005334 216015540 /nfs/dbraw/zinc/01/55/40/216015540.db2.gz OIZQGOLXIIAHGP-FZMZJTMJSA-N 0 0 312.391 0.837 10 0 DCAERN O=C(c1cccc(-n2cncn2)c1)N1CCC[C@@H](OCCO)C1 ZINC000178622735 237230926 /nfs/dbraw/zinc/23/09/26/237230926.db2.gz ZVTAUQROEMINDQ-OAHLLOKOSA-N 0 0 316.361 0.881 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC(C)(C)O2)co1 ZINC000187380647 200103974 /nfs/dbraw/zinc/10/39/74/200103974.db2.gz ZVQLOFADAPSVEE-SNVBAGLBSA-N 0 0 316.379 0.875 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000187934823 200179156 /nfs/dbraw/zinc/17/91/56/200179156.db2.gz SWZIPJCOOFKDLA-CHWSQXEVSA-N 0 0 306.362 0.333 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188745268 237379533 /nfs/dbraw/zinc/37/95/33/237379533.db2.gz GHUIWEAYYDYQQE-SECBINFHSA-N 0 0 308.363 0.061 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCC[C@H]1CCO ZINC000189015635 237387992 /nfs/dbraw/zinc/38/79/92/237387992.db2.gz YOEBUUXFWMZQGH-RYUDHWBXSA-N 0 0 303.362 0.997 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(c2ncccc2Cl)CC1 ZINC000195092565 237505835 /nfs/dbraw/zinc/50/58/35/237505835.db2.gz UTKKEYGGGIVPEI-JTQLQIEISA-N 0 0 308.769 0.520 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153649944 291207860 /nfs/dbraw/zinc/20/78/60/291207860.db2.gz CIUHJSLNXLHQIN-QWRGUYRKSA-N 0 0 301.350 0.969 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188723610 200294187 /nfs/dbraw/zinc/29/41/87/200294187.db2.gz UMUBLMDHMURPJD-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000153683500 291208250 /nfs/dbraw/zinc/20/82/50/291208250.db2.gz PNLZPEKEXWAXFF-VXGBXAGGSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1)S(C)(=O)=O ZINC000153984075 291209969 /nfs/dbraw/zinc/20/99/69/291209969.db2.gz KKRUJPNVBLPXJG-WDEREUQCSA-N 0 0 322.390 0.878 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H](C)C[S@](C)=O)cc1C ZINC000154016449 291210328 /nfs/dbraw/zinc/21/03/28/291210328.db2.gz ULFIQDKUMDOEPP-XUSGNXJCSA-N 0 0 310.419 0.916 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000154124053 291210796 /nfs/dbraw/zinc/21/07/96/291210796.db2.gz MMYUJRGCRGTMSO-AAEUAGOBSA-N 0 0 313.361 0.971 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000487432499 291225765 /nfs/dbraw/zinc/22/57/65/291225765.db2.gz SOZNNOMHGMIQIE-JTQLQIEISA-N 0 0 320.411 0.164 10 0 DCAERN CN(CCc1nccs1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000156585378 291225505 /nfs/dbraw/zinc/22/55/05/291225505.db2.gz YGDLAGBREKTMIX-UHFFFAOYSA-N 0 0 310.379 0.474 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000157836487 291229762 /nfs/dbraw/zinc/22/97/62/291229762.db2.gz FAUUQMRVKDOCJD-RWMBFGLXSA-N 0 0 300.399 0.847 10 0 DCAERN OC[C@@H](O)CSc1ncc(I)cn1 ZINC000163986354 291247040 /nfs/dbraw/zinc/24/70/40/291247040.db2.gz FYCMTYRNRWWYLK-ZCFIWIBFSA-N 0 0 312.132 0.527 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000276623837 238323930 /nfs/dbraw/zinc/32/39/30/238323930.db2.gz KBBZESCLHYBOLD-CYBMUJFWSA-N 0 0 316.409 0.899 10 0 DCAERN Cc1c([C@H]2[C@H](NCc3ccc(CO)o3)CC(=O)N2C)cnn1C ZINC000328628134 291259406 /nfs/dbraw/zinc/25/94/06/291259406.db2.gz NJAQSTRODHXSAF-ZBFHGGJFSA-N 0 0 318.377 0.875 10 0 DCAERN C[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000408390162 296039112 /nfs/dbraw/zinc/03/91/12/296039112.db2.gz RMFDNYUJPPFGSD-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000281551575 216378632 /nfs/dbraw/zinc/37/86/32/216378632.db2.gz KYVFZEMIOIINOS-ZETCQYMHSA-N 0 0 300.336 0.287 10 0 DCAERN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038042743 304113831 /nfs/dbraw/zinc/11/38/31/304113831.db2.gz PXKSRKADXLZFJP-OLZOCXBDSA-N 0 0 316.423 0.187 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCCO1 ZINC000157144911 296067478 /nfs/dbraw/zinc/06/74/78/296067478.db2.gz UTOKBUHKVZRNAO-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN COCCNC(=O)Cn1ncn2c(cc3cc(F)ccc32)c1=O ZINC000006749873 181382499 /nfs/dbraw/zinc/38/24/99/181382499.db2.gz UYJWQMCRLGKNMI-UHFFFAOYSA-N 0 0 318.308 0.551 10 0 DCAERN O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1CCC12CCC2 ZINC000441525981 240524876 /nfs/dbraw/zinc/52/48/76/240524876.db2.gz QVODBIYZJAZNBW-UHFFFAOYSA-N 0 0 312.333 0.756 10 0 DCAERN CO[C@H]1CCN(C(=O)NCC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000441179936 240503959 /nfs/dbraw/zinc/50/39/59/240503959.db2.gz QKRWWVPBVQBPJQ-BDAKNGLRSA-N 0 0 311.304 0.874 10 0 DCAERN O=C(NCc1ccccc1-n1cccn1)C(=O)NCC(F)F ZINC000444046735 240561901 /nfs/dbraw/zinc/56/19/01/240561901.db2.gz CWDKRKMEVMQHNQ-UHFFFAOYSA-N 0 0 308.288 0.870 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1Cl ZINC000091249190 193027068 /nfs/dbraw/zinc/02/70/68/193027068.db2.gz HOPMRPUIPRTTCP-SECBINFHSA-N 0 0 310.741 0.411 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)c1cccc(C(F)(F)F)n1 ZINC000450606828 240638421 /nfs/dbraw/zinc/63/84/21/240638421.db2.gz GBIMAGOIRJNNEF-NSHDSACASA-N 0 0 306.240 0.754 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@H](NC(=O)CC)C1 ZINC000451140185 240651987 /nfs/dbraw/zinc/65/19/87/240651987.db2.gz BOXVGYOFXIAPBA-OLZOCXBDSA-N 0 0 320.455 0.979 10 0 DCAERN Cc1nccn1CC(=O)N1CCC2(C[NH2+][C@@H](C(=O)[O-])C2)CC1 ZINC000091655955 193085825 /nfs/dbraw/zinc/08/58/25/193085825.db2.gz SLZMZUUTADQZRQ-GFCCVEGCSA-N 0 0 306.366 0.247 10 0 DCAERN Cc1cccc(OCCCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091782380 193106962 /nfs/dbraw/zinc/10/69/62/193106962.db2.gz WEEZXKRUJYZAMF-CQSZACIVSA-N 0 0 306.362 0.867 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000091783957 193107914 /nfs/dbraw/zinc/10/79/14/193107914.db2.gz INDOFKZRXNQIOB-CQSZACIVSA-N 0 0 314.345 0.128 10 0 DCAERN CC(C)(C)c1nc(CC(=O)N2CCOC[C@@H]2C(N)=O)cs1 ZINC000091785656 193108778 /nfs/dbraw/zinc/10/87/78/193108778.db2.gz FOYJDXHTEKYQHP-SNVBAGLBSA-N 0 0 311.407 0.696 10 0 DCAERN COC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000172245090 291365259 /nfs/dbraw/zinc/36/52/59/291365259.db2.gz ZKIBYDHTBRQFKJ-IHRRRGAJSA-N 0 0 310.394 0.794 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328771315 296091592 /nfs/dbraw/zinc/09/15/92/296091592.db2.gz GWVCXIWYGIKUPK-MVWJERBFSA-N 0 0 317.349 0.340 10 0 DCAERN C[C@H](CNC(=O)NC[C@H]1CCc2nccn2C1)N1CCOCC1 ZINC000275307630 212264369 /nfs/dbraw/zinc/26/43/69/212264369.db2.gz HPHWTFBPWISPRM-ZIAGYGMSSA-N 0 0 321.425 0.465 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCc2n[nH]cc21 ZINC000408207736 291380931 /nfs/dbraw/zinc/38/09/31/291380931.db2.gz TWFCWEKUDYZJLB-SKDRFNHKSA-N 0 0 313.379 0.834 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000275268376 212237223 /nfs/dbraw/zinc/23/72/23/212237223.db2.gz DUJSBJZRSOFJAA-OUAUKWLOSA-N 0 0 308.338 0.145 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000275268371 212236999 /nfs/dbraw/zinc/23/69/99/212236999.db2.gz DUJSBJZRSOFJAA-GARJFASQSA-N 0 0 308.338 0.145 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000370651420 284017169 /nfs/dbraw/zinc/01/71/69/284017169.db2.gz QDNXDAZKNQFJAH-FDYHWXHSSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cnn(C)c3)CCO2)c1 ZINC000568220951 291414319 /nfs/dbraw/zinc/41/43/19/291414319.db2.gz QPBAZVPYUNJHBS-AWEZNQCLSA-N 0 0 319.365 0.231 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1nc(Cc2ccccc2)no1 ZINC000092229486 193177546 /nfs/dbraw/zinc/17/75/46/193177546.db2.gz DGHQYZMVEZLLNS-GFCCVEGCSA-N 0 0 302.334 0.347 10 0 DCAERN Cc1c(C(=O)NC[C@@H](O)CN2CCOCC2)cnn1C(C)C ZINC000092277396 193183712 /nfs/dbraw/zinc/18/37/12/193183712.db2.gz UGHBWTSKYISYQI-CYBMUJFWSA-N 0 0 310.398 0.195 10 0 DCAERN COc1ccc(F)cc1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000092288932 193185537 /nfs/dbraw/zinc/18/55/37/193185537.db2.gz NEJOOOUMLNZRIM-UHFFFAOYSA-N 0 0 322.296 0.823 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)NCCOCC2CCC2)C1=O ZINC000568695031 291441632 /nfs/dbraw/zinc/44/16/32/291441632.db2.gz IDZRMZXTQWSVAV-HNNXBMFYSA-N 0 0 311.382 0.640 10 0 DCAERN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cn3cccnc3n2)C1 ZINC000569191702 291465936 /nfs/dbraw/zinc/46/59/36/291465936.db2.gz ZQOJXOKXVLANRC-NSHDSACASA-N 0 0 322.390 0.769 10 0 DCAERN COc1ccc(-c2n[nH]cc2[C@H]2NC(=O)[C@H]3COCCN32)cc1 ZINC000093884875 193323399 /nfs/dbraw/zinc/32/33/99/193323399.db2.gz ZMBABVDFMVVZSG-HIFRSBDPSA-N 0 0 314.345 0.915 10 0 DCAERN CC[C@H](CCO)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000094960372 193409328 /nfs/dbraw/zinc/40/93/28/193409328.db2.gz JGQZOPYDSXAEBH-LLVKDONJSA-N 0 0 314.407 0.733 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)CCCO)c(F)c1 ZINC000569894086 291500728 /nfs/dbraw/zinc/50/07/28/291500728.db2.gz VGFRXDZWVCVIJF-UHFFFAOYSA-N 0 0 305.327 0.615 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@H]3CNS(=O)(=O)[C@@H]3CC2)cc1 ZINC000096263651 193607342 /nfs/dbraw/zinc/60/73/42/193607342.db2.gz TUYMYDIHOKGMAT-TZMCWYRMSA-N 0 0 324.402 0.849 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1=O ZINC000282451576 217005012 /nfs/dbraw/zinc/00/50/12/217005012.db2.gz HIUQGZRICUEUPQ-KWCYVHTRSA-N 0 0 306.337 0.938 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC(=O)N1C ZINC000282452204 217007372 /nfs/dbraw/zinc/00/73/72/217007372.db2.gz SOPZNILWSFZDPW-JTQLQIEISA-N 0 0 310.375 0.393 10 0 DCAERN CN1CCN(c2cc(NC[C@H]3CCCC[C@H]3O)ncn2)CC1=O ZINC000274884460 212008691 /nfs/dbraw/zinc/00/86/91/212008691.db2.gz IENRGMBASMDSJM-CHWSQXEVSA-N 0 0 319.409 0.718 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCO[C@]2(CCOC2)C1 ZINC000186018011 296188571 /nfs/dbraw/zinc/18/85/71/296188571.db2.gz WHMKRYTYZRYTCO-QGZVFWFLSA-N 0 0 318.373 0.885 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408105825 296189843 /nfs/dbraw/zinc/18/98/43/296189843.db2.gz QTYZPNSPNBPHOQ-NEPJUHHUSA-N 0 0 306.428 0.420 10 0 DCAERN CC(C)(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000266158112 205144036 /nfs/dbraw/zinc/14/40/36/205144036.db2.gz KDCWVAWDHZTEJI-SECBINFHSA-N 0 0 315.395 0.736 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCC[C@@](O)(C(N)=O)C2)c(F)c1 ZINC000288348096 220099615 /nfs/dbraw/zinc/09/96/15/220099615.db2.gz GEIYALRLBDLJJD-ZDUSSCGKSA-N 0 0 316.354 0.046 10 0 DCAERN CCOC(=O)CS[C@@H]1CC(=O)N(C2=NCCS2)C1=O ZINC000016900626 182062955 /nfs/dbraw/zinc/06/29/55/182062955.db2.gz XAFBUEVFEKUPCV-SSDOTTSWSA-N 0 0 302.377 0.513 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C)n2)[C@@H](C)C1 ZINC000572385003 291565919 /nfs/dbraw/zinc/56/59/19/291565919.db2.gz ZLZMOZBXYNCFIB-LBPRGKRZSA-N 0 0 318.377 0.085 10 0 DCAERN C[C@H](O)CN(C(=O)N1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000408394538 299450105 /nfs/dbraw/zinc/45/01/05/299450105.db2.gz JRIXNCKOKBQKJV-LBPRGKRZSA-N 0 0 318.439 0.852 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2ncsc2Br)C1 ZINC000572733793 291585598 /nfs/dbraw/zinc/58/55/98/291585598.db2.gz MKZXETCQMOUWIM-RXMQYKEDSA-N 0 0 319.184 0.788 10 0 DCAERN Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000021810926 182292307 /nfs/dbraw/zinc/29/23/07/182292307.db2.gz KVPUUCXPVNGCGW-QMMMGPOBSA-N 0 0 324.811 0.388 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)N1CCCCCC1 ZINC000023402687 182360250 /nfs/dbraw/zinc/36/02/50/182360250.db2.gz RMGJOXUYZPSXGR-UHFFFAOYSA-N 0 0 305.444 0.954 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000023926283 182370153 /nfs/dbraw/zinc/37/01/53/182370153.db2.gz KEKSFJSGLORFBZ-NSHDSACASA-N 0 0 306.366 0.837 10 0 DCAERN OC[C@H]1O[C@@H](O)[C@H](Oc2cccc3ccccc32)[C@@H](O)[C@H]1O ZINC000038595412 183003781 /nfs/dbraw/zinc/00/37/81/183003781.db2.gz GTGUKKKCYTVGFL-LYYZXLFJSA-N 0 0 306.314 0.019 10 0 DCAERN CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)CC ZINC000039814456 183022312 /nfs/dbraw/zinc/02/23/12/183022312.db2.gz WIZPFZKOFZXDQG-HTFCKZLJSA-N 0 0 315.414 0.480 10 0 DCAERN C[C@H](NC(=O)C1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000040215000 183046359 /nfs/dbraw/zinc/04/63/59/183046359.db2.gz GCOTZIREKDYJJA-JTQLQIEISA-N 0 0 312.391 0.938 10 0 DCAERN CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000040471351 183073134 /nfs/dbraw/zinc/07/31/34/183073134.db2.gz KYPMKDGKAYQCHO-NWDGAFQWSA-N 0 0 312.391 0.585 10 0 endogenous,in-man DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000042483559 183276068 /nfs/dbraw/zinc/27/60/68/183276068.db2.gz YCZWSEDNTDLJPP-SECBINFHSA-N 0 0 308.787 0.550 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1cnc(Cl)s1 ZINC000042525472 183280348 /nfs/dbraw/zinc/28/03/48/183280348.db2.gz XXRZFKCSKTYBJV-LURJTMIESA-N 0 0 300.789 0.424 10 0 DCAERN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)cs1 ZINC000042373098 183260564 /nfs/dbraw/zinc/26/05/64/183260564.db2.gz IULGMTPNMQQXDO-MRVPVSSYSA-N 0 0 310.422 0.138 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)NCCO)cn2)C[C@@H](C)O1 ZINC000042874059 183315958 /nfs/dbraw/zinc/31/59/58/183315958.db2.gz VOSSJGBTIPSVSM-VXGBXAGGSA-N 0 0 308.382 0.487 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)c1cccs1 ZINC000104357150 194000624 /nfs/dbraw/zinc/00/06/24/194000624.db2.gz SIOITFXZZZOCIN-JTQLQIEISA-N 0 0 309.391 0.605 10 0 DCAERN O=C(NCCCc1ccccc1)C(=O)N1CCNC(=O)CC1 ZINC000104871136 194048769 /nfs/dbraw/zinc/04/87/69/194048769.db2.gz MHFGARBQHCPXEN-UHFFFAOYSA-N 0 0 303.362 0.084 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000104798726 194041802 /nfs/dbraw/zinc/04/18/02/194041802.db2.gz OVQSVHKVZBXMEY-KGLIPLIRSA-N 0 0 311.357 0.489 10 0 DCAERN COCCN1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000105833340 194141946 /nfs/dbraw/zinc/14/19/46/194141946.db2.gz HLTRUIACVTWTLV-CYBMUJFWSA-N 0 0 309.454 0.944 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105856080 194147944 /nfs/dbraw/zinc/14/79/44/194147944.db2.gz RSNRAAACOIPNCN-LBPRGKRZSA-N 0 0 309.370 0.920 10 0 DCAERN CCc1nc(CN2CCN(c3ccc4nncn4n3)CC2)no1 ZINC000105911233 194169468 /nfs/dbraw/zinc/16/94/68/194169468.db2.gz HMWBLEFXKBELDD-UHFFFAOYSA-N 0 0 314.353 0.392 10 0 DCAERN Cc1cnn([C@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222803 194190620 /nfs/dbraw/zinc/19/06/20/194190620.db2.gz SGLJUIYVHVIWAY-LBPRGKRZSA-N 0 0 316.413 0.862 10 0 DCAERN Cn1nccc1CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000106356298 194200436 /nfs/dbraw/zinc/20/04/36/194200436.db2.gz FQGWBEXIHQJUOQ-LLVKDONJSA-N 0 0 310.423 0.984 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1ccnc1 ZINC000106529222 194225403 /nfs/dbraw/zinc/22/54/03/194225403.db2.gz ARPOTFMUIOGSET-NSHDSACASA-N 0 0 314.349 0.297 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C ZINC000048666970 183675867 /nfs/dbraw/zinc/67/58/67/183675867.db2.gz HNPITZZKRLMZFV-ZETCQYMHSA-N 0 0 308.791 0.137 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCO2)c1 ZINC000273551957 210865050 /nfs/dbraw/zinc/86/50/50/210865050.db2.gz WDFDOXOSDAKYGR-UHFFFAOYSA-N 0 0 320.392 0.263 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110124213 194311120 /nfs/dbraw/zinc/31/11/20/194311120.db2.gz MGISOBGJZKITKG-UHFFFAOYSA-N 0 0 317.393 0.527 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361531720 261935472 /nfs/dbraw/zinc/93/54/72/261935472.db2.gz BIXUQHVRWMVDHS-NBLPHYOQSA-N 0 0 303.380 0.435 10 0 DCAERN CC(C)(C)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(N)=O ZINC000110735063 194354655 /nfs/dbraw/zinc/35/46/55/194354655.db2.gz KUAWZGROGUHQTL-LBPRGKRZSA-N 0 0 305.378 0.884 10 0 DCAERN CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000110690200 194350148 /nfs/dbraw/zinc/35/01/48/194350148.db2.gz BXBHJYFGARQKDA-ZDUSSCGKSA-N 0 0 324.450 0.903 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111080796 194389200 /nfs/dbraw/zinc/38/92/00/194389200.db2.gz LWVIRZNPLXZLSL-CYBMUJFWSA-N 0 0 308.382 0.417 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000056228113 184007468 /nfs/dbraw/zinc/00/74/68/184007468.db2.gz HENQCZQMSQBLMY-GFCCVEGCSA-N 0 0 307.325 0.815 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112064220 194429002 /nfs/dbraw/zinc/42/90/02/194429002.db2.gz VZSGSHVYDCTNCP-ZDUSSCGKSA-N 0 0 308.382 0.335 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)o1 ZINC000056968566 184022758 /nfs/dbraw/zinc/02/27/58/184022758.db2.gz URZBASQAKVOGIO-SNVBAGLBSA-N 0 0 305.338 0.759 10 0 DCAERN CSCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccnc1 ZINC000064040815 184292029 /nfs/dbraw/zinc/29/20/29/184292029.db2.gz JPKIPFAQKUNVNF-ZDUSSCGKSA-N 0 0 322.434 0.251 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000083172452 252586303 /nfs/dbraw/zinc/58/63/03/252586303.db2.gz JSDAHGYOJYCBAF-NSHDSACASA-N 0 0 321.429 0.353 10 0 DCAERN CCN(Cc1ccccn1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000084365546 252587234 /nfs/dbraw/zinc/58/72/34/252587234.db2.gz UYBLFGQYVUXTSJ-UHFFFAOYSA-N 0 0 304.350 0.761 10 0 DCAERN Cc1nc(CNC(=O)NCCC(=O)NCc2ccccc2)no1 ZINC000173559682 252595828 /nfs/dbraw/zinc/59/58/28/252595828.db2.gz VXKMGYHQOQUIEV-UHFFFAOYSA-N 0 0 317.349 0.884 10 0 DCAERN Cc1nnc([C@H]2COCCN2S(=O)(=O)CCC2CC2)o1 ZINC000333013451 252671032 /nfs/dbraw/zinc/67/10/32/252671032.db2.gz BQJJMALMWHCGEA-LLVKDONJSA-N 0 0 301.368 0.881 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Cc1ccnn1C ZINC000333315769 252705199 /nfs/dbraw/zinc/70/51/99/252705199.db2.gz WCKQSFQTWHKVSJ-BBRMVZONSA-N 0 0 317.393 0.959 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)n1 ZINC000333511032 252732149 /nfs/dbraw/zinc/73/21/49/252732149.db2.gz JDFYIMDTSYIXRA-HFAKWTLXSA-N 0 0 321.381 0.128 10 0 DCAERN CC1CCN(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000336836558 252800793 /nfs/dbraw/zinc/80/07/93/252800793.db2.gz WVPYAZVIHVPQGU-LBPRGKRZSA-N 0 0 303.428 0.804 10 0 DCAERN COC[C@@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334068172 252788894 /nfs/dbraw/zinc/78/88/94/252788894.db2.gz FFAKUPBVSXLWKL-RWMBFGLXSA-N 0 0 309.370 0.429 10 0 DCAERN O=C(CNC(=O)c1cccs1)NCC[C@H](O)C(F)(F)F ZINC000337038008 252829784 /nfs/dbraw/zinc/82/97/84/252829784.db2.gz KJEVWSZHDWGNPR-QMMMGPOBSA-N 0 0 310.297 0.907 10 0 DCAERN CC(=O)NCCCNC(=O)NCCCNC(=O)c1ccccc1 ZINC000338285386 252941478 /nfs/dbraw/zinc/94/14/78/252941478.db2.gz LPVVQMOVAPLGFW-UHFFFAOYSA-N 0 0 320.393 0.632 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)C1 ZINC000340596311 253282408 /nfs/dbraw/zinc/28/24/08/253282408.db2.gz OCKNUJMXZFUAKA-RKDXNWHRSA-N 0 0 304.334 0.866 10 0 DCAERN Cn1cnc2cc(C(=O)N3CC[C@H]4[C@@H](C3)NC(=O)N4C)ccc21 ZINC000286419152 218976941 /nfs/dbraw/zinc/97/69/41/218976941.db2.gz RWRHTULYWSGMJM-OCCSQVGLSA-N 0 0 313.361 0.811 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000286517711 219031970 /nfs/dbraw/zinc/03/19/70/219031970.db2.gz QOEGIGLCHZISCF-GJZGRUSLSA-N 0 0 319.409 0.918 10 0 DCAERN O=C1NC[C@H]2CN([C@@H]3CCc4ccc(F)cc43)CCN2C1=O ZINC000248182096 296384538 /nfs/dbraw/zinc/38/45/38/296384538.db2.gz WPFNADDYQUZSKF-GXTWGEPZSA-N 0 0 303.337 0.456 10 0 DCAERN Cc1cc(NC(=O)CSC[C@@H](O)CO)n(C(C)(C)C)n1 ZINC000177426937 220454169 /nfs/dbraw/zinc/45/41/69/220454169.db2.gz QANLHTQZPSGBPG-JTQLQIEISA-N 0 0 301.412 0.971 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)COCCOc1ccccc1 ZINC000347260465 254142954 /nfs/dbraw/zinc/14/29/54/254142954.db2.gz NETJMWDGJDJDDZ-DGCLKSJQSA-N 0 0 310.325 0.506 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000348635726 254248293 /nfs/dbraw/zinc/24/82/93/254248293.db2.gz SXJNENVYWWVIMD-GFCCVEGCSA-N 0 0 304.350 0.733 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](O)C[C@@H]1C ZINC000351054067 254332857 /nfs/dbraw/zinc/33/28/57/254332857.db2.gz JBUFAOWONWIKTM-CMPLNLGQSA-N 0 0 319.361 0.590 10 0 DCAERN CC(=O)c1ccc(CC(=O)N[C@H](CO)CN2CCOCC2)cc1 ZINC000351485308 254338392 /nfs/dbraw/zinc/33/83/92/254338392.db2.gz YNWRGHYXMMLJED-INIZCTEOSA-N 0 0 320.389 0.241 10 0 DCAERN CSCc1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350615292 254318908 /nfs/dbraw/zinc/31/89/08/254318908.db2.gz DFOBOLNHNBUFCF-SECBINFHSA-N 0 0 302.421 0.956 10 0 DCAERN C[C@@H](CNC(=O)COc1ccc(Cl)cc1)S(N)(=O)=O ZINC000350618066 254319321 /nfs/dbraw/zinc/31/93/21/254319321.db2.gz BQWBMAFWNSQEAB-QMMMGPOBSA-N 0 0 306.771 0.512 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350627698 254321090 /nfs/dbraw/zinc/32/10/90/254321090.db2.gz FIWNUDUQGHSOBO-QWRGUYRKSA-N 0 0 300.380 0.556 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350630031 254321732 /nfs/dbraw/zinc/32/17/32/254321732.db2.gz VKMKGAJZXCXQHO-WDEREUQCSA-N 0 0 300.380 0.556 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000351870302 254376566 /nfs/dbraw/zinc/37/65/66/254376566.db2.gz LTZNOMQZEDCFTP-TUAOUCFPSA-N 0 0 304.412 0.030 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000192024072 285230776 /nfs/dbraw/zinc/23/07/76/285230776.db2.gz UZOGQPILKBHBRW-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN CC(C)NC(=O)C[C@@H]1OC[C@@H]2CN(S(C)(=O)=O)CC[C@@H]21 ZINC000248036496 257110372 /nfs/dbraw/zinc/11/03/72/257110372.db2.gz ZKKFHMFZXWSFNW-SRVKXCTJSA-N 0 0 304.412 0.198 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)c2ccncn2)C3)n1 ZINC000248042826 257110443 /nfs/dbraw/zinc/11/04/43/257110443.db2.gz UDUXYQMRPGFHFZ-HZMBPMFUSA-N 0 0 301.306 0.208 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2N1C(C)C ZINC000248034921 257110886 /nfs/dbraw/zinc/11/08/86/257110886.db2.gz YVYICFFWRJWCOG-WCFLWFBJSA-N 0 0 322.434 0.812 10 0 DCAERN O=C1[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2CN1Cc1ccncc1 ZINC000247958127 257112490 /nfs/dbraw/zinc/11/24/90/257112490.db2.gz OOKURQRYTXHEJQ-GXTWGEPZSA-N 0 0 321.402 0.464 10 0 DCAERN CCCS(=O)(=O)N1C[C@@H]2OC[C@@H](c3nnc(C)o3)[C@@H]2C1 ZINC000247995187 257113181 /nfs/dbraw/zinc/11/31/81/257113181.db2.gz CRRZQVXQKAZFKR-AXFHLTTASA-N 0 0 301.368 0.532 10 0 DCAERN O=C([C@@H]1CCOC1)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000247958312 257113343 /nfs/dbraw/zinc/11/33/43/257113343.db2.gz OUVMCXROQQGPEK-QLFBSQMISA-N 0 0 315.373 0.535 10 0 DCAERN Cc1noc(C[C@@H]2CO[C@H]3CN(C(=O)C4CCOCC4)C[C@H]32)n1 ZINC000247925238 257114185 /nfs/dbraw/zinc/11/41/85/257114185.db2.gz ASSWRJCIVXHFDD-RDBSUJKOSA-N 0 0 321.377 0.821 10 0 DCAERN COCCNC(=O)[C@@H]1CN(c2ncccn2)C[C@@H]2OCC[C@@H]21 ZINC000247908138 257114387 /nfs/dbraw/zinc/11/43/87/257114387.db2.gz XTJNLLNEAPXWFL-UPJWGTAASA-N 0 0 306.366 0.081 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(c3ccc(C)nn3)C[C@@H]2O1 ZINC000247896256 257115426 /nfs/dbraw/zinc/11/54/26/257115426.db2.gz HHYOOPXYISRRSW-RDBSUJKOSA-N 0 0 320.393 0.531 10 0 DCAERN O=C(N1CCCO1)[C@@]12COC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000247752204 257117995 /nfs/dbraw/zinc/11/79/95/257117995.db2.gz VFICDAXOCYOQDE-HOCLYGCPSA-N 0 0 303.362 0.694 10 0 DCAERN CCC1=N[C@]2(CC[C@H]3CN(S(C)(=O)=O)C[C@H]32)C(=O)N1CC ZINC000247527864 257118885 /nfs/dbraw/zinc/11/88/85/257118885.db2.gz NUTQMLYZNBDDDS-WDMOLILDSA-N 0 0 313.423 0.697 10 0 DCAERN CS(=O)(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1ccccc1 ZINC000247496624 257119466 /nfs/dbraw/zinc/11/94/66/257119466.db2.gz DFAXKZPOAVDUQA-JKSUJKDBSA-N 0 0 324.446 0.964 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000179924760 533273459 /nfs/dbraw/zinc/27/34/59/533273459.db2.gz CFPIUZCAMLDLQV-YMAMQOFZSA-N 0 0 324.421 0.899 10 0 DCAERN COCc1noc([C@@H](C)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000181995029 533297462 /nfs/dbraw/zinc/29/74/62/533297462.db2.gz MVERWFFQBZBZGD-SECBINFHSA-N 0 0 303.384 0.786 10 0 DCAERN COc1cccc(OC)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188727091 533623689 /nfs/dbraw/zinc/62/36/89/533623689.db2.gz ZAYTXRMFTDLJBN-ZDUSSCGKSA-N 0 0 322.405 0.771 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000276027105 130428775 /nfs/dbraw/zinc/42/87/75/130428775.db2.gz QWMCUSJYOUZQQK-CORIIIEPSA-N 0 0 318.377 0.377 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000283602327 131006637 /nfs/dbraw/zinc/00/66/37/131006637.db2.gz UBXOEXARZJNKPH-SECBINFHSA-N 0 0 319.408 0.274 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000284091681 131048506 /nfs/dbraw/zinc/04/85/06/131048506.db2.gz NAVILKNXNUVLRG-KBPBESRZSA-N 0 0 318.373 0.889 10 0 DCAERN Cc1nc2cccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2[nH]1 ZINC000284206703 131059373 /nfs/dbraw/zinc/05/93/73/131059373.db2.gz ZYVDDSUSMUUPMS-SNVBAGLBSA-N 0 0 322.390 0.635 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)s1 ZINC000284389307 131076463 /nfs/dbraw/zinc/07/64/63/131076463.db2.gz BFMJCTRMCMGWOW-APPZFPTMSA-N 0 0 319.408 0.023 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2cc(Br)ccn2)C1 ZINC000284590310 131094901 /nfs/dbraw/zinc/09/49/01/131094901.db2.gz KBAVQDISBMENPG-NSHDSACASA-N 0 0 300.156 0.661 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2COc3ccccc3C2)C1 ZINC000284607678 131097246 /nfs/dbraw/zinc/09/72/46/131097246.db2.gz CBYHHRMZXJNNKF-RHSMWYFYSA-N 0 0 318.373 0.480 10 0 DCAERN COc1cccc(CCC(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284770688 131109918 /nfs/dbraw/zinc/10/99/18/131109918.db2.gz JRRAYCSWPCNVNF-INIZCTEOSA-N 0 0 316.361 0.866 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)CC(C)(C)O1 ZINC000284901519 131120374 /nfs/dbraw/zinc/12/03/74/131120374.db2.gz HOUKRCGDQORCGD-SNVBAGLBSA-N 0 0 303.384 0.235 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)C1 ZINC000285106390 131138677 /nfs/dbraw/zinc/13/86/77/131138677.db2.gz YFSOHJKUBSBPPS-BFYDXBDKSA-N 0 0 318.373 0.134 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2CO)cc1 ZINC000285111819 131139448 /nfs/dbraw/zinc/13/94/48/131139448.db2.gz QQZUXDKSCPLHLF-CMPLNLGQSA-N 0 0 301.364 0.466 10 0 DCAERN C[C@H]1OCCN(C(=O)c2occc2Br)[C@@H]1C(N)=O ZINC000285293005 131155388 /nfs/dbraw/zinc/15/53/88/131155388.db2.gz JAIQTBZBSMDJHD-SVRRBLITSA-N 0 0 317.139 0.757 10 0 DCAERN C[C@@H](NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1)c1nnc2n1CCC2 ZINC000285378887 131162666 /nfs/dbraw/zinc/16/26/66/131162666.db2.gz UIANNUYITATVMF-GMTAPVOTSA-N 0 0 321.381 0.037 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000285404118 131165778 /nfs/dbraw/zinc/16/57/78/131165778.db2.gz HCHBGUJGFKOTDF-GDLVEWKHSA-N 0 0 324.327 0.907 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285516314 131176152 /nfs/dbraw/zinc/17/61/52/131176152.db2.gz MZBKBBLRQMJBLK-BLLLJJGKSA-N 0 0 306.362 0.431 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1C(N)=O ZINC000285719376 131196055 /nfs/dbraw/zinc/19/60/55/131196055.db2.gz XVJDTIWGRBSVKY-BXKDBHETSA-N 0 0 303.362 0.859 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCCN1C(=O)COCc1ccnn1C ZINC000293854679 131776151 /nfs/dbraw/zinc/77/61/51/131776151.db2.gz HVGNVWOGSHQOSG-AWEZNQCLSA-N 0 0 322.409 0.700 10 0 DCAERN C[C@H](CC1CC1)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120562747 132148794 /nfs/dbraw/zinc/14/87/94/132148794.db2.gz AZQQHVKUYUQSGB-SSDOTTSWSA-N 0 0 302.356 0.924 10 0 DCAERN COCC(=O)N1CCN(c2cc(OC)ccc2OC)C(=O)[C@@H]1C ZINC000037522613 134702358 /nfs/dbraw/zinc/70/23/58/134702358.db2.gz IOIHXSAOXHWLJA-NSHDSACASA-N 0 0 322.361 0.914 10 0 DCAERN Cc1ccc(OCCN(C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000011475742 395686609 /nfs/dbraw/zinc/68/66/09/395686609.db2.gz NZQJBOGTDZFUDB-UHFFFAOYSA-N 0 0 305.378 0.264 10 0 DCAERN CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C ZINC000013637063 395688884 /nfs/dbraw/zinc/68/88/84/395688884.db2.gz MLQNAOVBWCCFGU-ZDUSSCGKSA-N 0 0 322.409 0.870 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000030691303 395704006 /nfs/dbraw/zinc/70/40/06/395704006.db2.gz YODQUOVJAKMZTE-ZDUSSCGKSA-N 0 0 304.346 0.367 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NCc1nnc2ccccn21 ZINC000088767486 395707890 /nfs/dbraw/zinc/70/78/90/395707890.db2.gz GJRRKLSJBXCHQO-LLVKDONJSA-N 0 0 309.395 0.938 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cc1 ZINC000089165459 395708871 /nfs/dbraw/zinc/70/88/71/395708871.db2.gz UPUKMSHDDAQETR-WCQYABFASA-N 0 0 313.375 0.913 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000089755952 395714988 /nfs/dbraw/zinc/71/49/88/395714988.db2.gz GIIGVPOQFVSYPL-ONGXEEELSA-N 0 0 308.721 0.565 10 0 DCAERN CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000033981553 395717724 /nfs/dbraw/zinc/71/77/24/395717724.db2.gz NLTCMPQBQCXKHK-SNVBAGLBSA-N 0 0 322.365 0.556 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000035177071 395719363 /nfs/dbraw/zinc/71/93/63/395719363.db2.gz SAVCDSKUESOWES-MXWKQRLJSA-N 0 0 308.400 0.128 10 0 DCAERN CNc1nnc(SCC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000027943308 395695368 /nfs/dbraw/zinc/69/53/68/395695368.db2.gz ZSKXAOZIFKVDTB-ZETCQYMHSA-N 0 0 315.424 0.396 10 0 DCAERN CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000028817898 395696386 /nfs/dbraw/zinc/69/63/86/395696386.db2.gz RYOJVQBCNKVWLS-UHFFFAOYSA-N 0 0 300.336 0.372 10 0 DCAERN CNC(=O)NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000029192799 395697207 /nfs/dbraw/zinc/69/72/07/395697207.db2.gz RVEULRNUXOGJGF-UHFFFAOYSA-N 0 0 324.425 0.557 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)s1 ZINC000084796645 395699554 /nfs/dbraw/zinc/69/95/54/395699554.db2.gz ZIQFRUYLPBQOSS-LLVKDONJSA-N 0 0 315.376 0.029 10 0 DCAERN C[C@H](NC(=O)c1ccnn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000040378486 395733394 /nfs/dbraw/zinc/73/33/94/395733394.db2.gz XBIXTBDMNMLWNS-VIFPVBQESA-N 0 0 308.363 0.559 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041600504 395738645 /nfs/dbraw/zinc/73/86/45/395738645.db2.gz MNMZULJNYHSZJZ-ZDUSSCGKSA-N 0 0 305.378 0.770 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000042390391 395744541 /nfs/dbraw/zinc/74/45/41/395744541.db2.gz HKZRCUCMBRSICT-ZIAGYGMSSA-N 0 0 321.421 0.714 10 0 DCAERN CC(=O)N1C[C@H]2C[N@H+](CCc3cccc(C)n3)C[C@@]2(C(=O)[O-])C1 ZINC000097334186 395757134 /nfs/dbraw/zinc/75/71/34/395757134.db2.gz UZKLQBFAEIQYPL-RHSMWYFYSA-N 0 0 317.389 0.797 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(Cc2nncn2C)CC1 ZINC000105866000 395781025 /nfs/dbraw/zinc/78/10/25/395781025.db2.gz IVJBOEVXBOUJPI-UHFFFAOYSA-N 0 0 303.414 0.483 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000105923003 395781348 /nfs/dbraw/zinc/78/13/48/395781348.db2.gz GGJKEGNTKCIFOB-LBPRGKRZSA-N 0 0 303.370 0.894 10 0 DCAERN C[C@H](CNC(=O)c1ccc([S@@](C)=O)cc1)N1CCOCC1 ZINC000106272192 395781641 /nfs/dbraw/zinc/78/16/41/395781641.db2.gz DBXXLJJOAWAYPC-GTJPDFRWSA-N 0 0 310.419 0.875 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000193940894 395782572 /nfs/dbraw/zinc/78/25/72/395782572.db2.gz HERUGZSHWVOCSX-NRUUGDAUSA-N 0 0 306.366 0.975 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000193937701 395782975 /nfs/dbraw/zinc/78/29/75/395782975.db2.gz VRHFXKKIMMDKRG-SNVBAGLBSA-N 0 0 314.411 0.396 10 0 DCAERN CCN(CCc1nccs1)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000194037235 395787211 /nfs/dbraw/zinc/78/72/11/395787211.db2.gz UIPKMOMNNDKODL-SNVBAGLBSA-N 0 0 319.452 0.814 10 0 DCAERN Cc1noc(CO[C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000097942536 395761261 /nfs/dbraw/zinc/76/12/61/395761261.db2.gz IMGRUYZXGDNTKB-LLVKDONJSA-N 0 0 303.322 0.989 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(Cc2nc(N)nc(N(C)C)n2)C1 ZINC000101564243 395765249 /nfs/dbraw/zinc/76/52/49/395765249.db2.gz HWSBRODJCCNMMN-NSHDSACASA-N 0 0 321.429 0.401 10 0 DCAERN Cn1cc(CCCNS(=O)(=O)c2ncn(C)c2Cl)cn1 ZINC000102661897 395771347 /nfs/dbraw/zinc/77/13/47/395771347.db2.gz AMHSDMGUMGCGPW-UHFFFAOYSA-N 0 0 317.802 0.718 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@@]23CCOC3)C1 ZINC000193718731 395777517 /nfs/dbraw/zinc/77/75/17/395777517.db2.gz BTYVOKLFKROPFT-KBPBESRZSA-N 0 0 318.439 0.149 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000194758488 395806806 /nfs/dbraw/zinc/80/68/06/395806806.db2.gz YKKAXWHZQNFWBQ-IJLUTSLNSA-N 0 0 304.412 0.199 10 0 DCAERN COCCS(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111344799 395807797 /nfs/dbraw/zinc/80/77/97/395807797.db2.gz GRJPKDQZMFIFBS-SNVBAGLBSA-N 0 0 318.399 0.033 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195058954 395814916 /nfs/dbraw/zinc/81/49/16/395814916.db2.gz PDTWOIVKKVRUNL-CYBMUJFWSA-N 0 0 323.445 0.286 10 0 DCAERN CCS(=O)(=O)N1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000052112152 395858902 /nfs/dbraw/zinc/85/89/02/395858902.db2.gz MOYGBKYNJTUKIM-UHFFFAOYSA-N 0 0 300.384 0.414 10 0 DCAERN CCCCOC[C@H](O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000195128533 395817121 /nfs/dbraw/zinc/81/71/21/395817121.db2.gz SZOTWPHKHDLZRF-CYBMUJFWSA-N 0 0 308.444 0.131 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112647408 395819963 /nfs/dbraw/zinc/81/99/63/395819963.db2.gz QIMOPTGFWLDXBT-WSVYEEACSA-N 0 0 304.375 0.760 10 0 DCAERN CCn1c2ccc(C(=O)NCC3(C)COC3)cc2[nH]c(=O)c1=O ZINC000112693816 395821910 /nfs/dbraw/zinc/82/19/10/395821910.db2.gz OBVOIISLIHQUPM-UHFFFAOYSA-N 0 0 317.345 0.476 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H](C)OC ZINC000195239881 395822111 /nfs/dbraw/zinc/82/21/11/395822111.db2.gz SJNURALBPIHZRP-VXGBXAGGSA-N 0 0 306.428 0.684 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)CN1CCCC1=O)CC2 ZINC000195267428 395823226 /nfs/dbraw/zinc/82/32/26/395823226.db2.gz KIKZSKZXSBFNMN-LLVKDONJSA-N 0 0 305.382 0.455 10 0 DCAERN COc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccn1 ZINC000112741998 395823261 /nfs/dbraw/zinc/82/32/61/395823261.db2.gz FMDSEFLZMHELPC-NSHDSACASA-N 0 0 302.338 0.496 10 0 DCAERN CC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(=O)OC ZINC000195303266 395823947 /nfs/dbraw/zinc/82/39/47/395823947.db2.gz PVSHZTLSYPQMCY-NXEZZACHSA-N 0 0 307.354 0.631 10 0 DCAERN COC(=O)CNC(=O)CN1CCC(c2nc(C)cs2)CC1 ZINC000195443381 395827347 /nfs/dbraw/zinc/82/73/47/395827347.db2.gz YDDPGFGRKYVLJX-UHFFFAOYSA-N 0 0 311.407 0.920 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000195464817 395827372 /nfs/dbraw/zinc/82/73/72/395827372.db2.gz MYMNRQFDDRBRLJ-NSHDSACASA-N 0 0 324.406 0.969 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC(c2ccnn2C)CC1 ZINC000195503308 395829739 /nfs/dbraw/zinc/82/97/39/395829739.db2.gz KKJYFCYKQKHJCZ-UHFFFAOYSA-N 0 0 307.398 0.835 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389322 395829964 /nfs/dbraw/zinc/82/99/64/395829964.db2.gz SZJRCNGZJGFYBN-AWEZNQCLSA-N 0 0 320.393 0.645 10 0 DCAERN O=C(NN1CCCCC1=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000195526341 395831663 /nfs/dbraw/zinc/83/16/63/395831663.db2.gz IOAGIGPEJRLHHP-CYBMUJFWSA-N 0 0 322.409 0.958 10 0 DCAERN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@H]2CCC[C@@]21N1CCOCC1 ZINC000225408544 395859882 /nfs/dbraw/zinc/85/98/82/395859882.db2.gz LQQLVRMAHGKYSA-YVLXSGLVSA-N 0 0 305.358 0.784 10 0 DCAERN C[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc2c(c1)OCO2 ZINC000213540972 395835992 /nfs/dbraw/zinc/83/59/92/395835992.db2.gz JCPDYASVEVCDCM-SECBINFHSA-N 0 0 319.317 0.534 10 0 DCAERN Cc1n[nH]cc1CCCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000050183771 395837323 /nfs/dbraw/zinc/83/73/23/395837323.db2.gz OSOJSRPPFYDZKY-GHMZBOCLSA-N 0 0 316.427 0.594 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000114842502 395837766 /nfs/dbraw/zinc/83/77/66/395837766.db2.gz MIHCTRYYLDQWAC-LLVKDONJSA-N 0 0 302.334 0.698 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164219 395838257 /nfs/dbraw/zinc/83/82/57/395838257.db2.gz HQYWTRBOWSIRIQ-GFCCVEGCSA-N 0 0 301.350 0.551 10 0 DCAERN CCN(C(=O)CN1CCC(=O)NC1=O)[C@H](C)c1cccnc1 ZINC000115228068 395838283 /nfs/dbraw/zinc/83/82/83/395838283.db2.gz GTAOHFLYQUFRGA-LLVKDONJSA-N 0 0 304.350 0.933 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000050856718 395841820 /nfs/dbraw/zinc/84/18/20/395841820.db2.gz FQYFRDHIHUUGIR-VXGBXAGGSA-N 0 0 310.737 0.356 10 0 DCAERN 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395929779 /nfs/dbraw/zinc/92/97/79/395929779.db2.gz HLOHEBOQXHWRNG-STQMWFEESA-N 0 0 321.425 0.553 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(OC)CC1 ZINC000054483639 395901098 /nfs/dbraw/zinc/90/10/98/395901098.db2.gz XAOXQCWATSBBDN-ZDUSSCGKSA-N 0 0 318.439 0.828 10 0 DCAERN CSC[C@@H](CCO)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000133643093 395929935 /nfs/dbraw/zinc/92/99/35/395929935.db2.gz XBFBACNEMQBELU-NXEZZACHSA-N 0 0 300.380 0.628 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000245471165 395930146 /nfs/dbraw/zinc/93/01/46/395930146.db2.gz XIWMQXVINSOHIO-UTUOFQBUSA-N 0 0 306.366 0.689 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(C3CC3)CC2)CC1 ZINC000125865757 395906354 /nfs/dbraw/zinc/90/63/54/395906354.db2.gz ZIQZXARAUXGEAM-CYBMUJFWSA-N 0 0 323.437 0.567 10 0 DCAERN COc1c(CN2CCN(c3cnn(C)c3)CC2)c(C)nn1C ZINC000126100637 395909533 /nfs/dbraw/zinc/90/95/33/395909533.db2.gz JOGCNAMWBRSVPM-UHFFFAOYSA-N 0 0 304.398 0.793 10 0 DCAERN 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/nfs/dbraw/zinc/94/71/08/395947108.db2.gz DNBGCHZKVLRTSJ-YDHLFZDLSA-N 0 0 303.362 0.896 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246370598 395948118 /nfs/dbraw/zinc/94/81/18/395948118.db2.gz RUMVJNFTIXUTOL-DMDPSCGWSA-N 0 0 306.366 0.741 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NC1CCOCC1 ZINC000248889319 395999575 /nfs/dbraw/zinc/99/95/75/395999575.db2.gz YJHWSQAXUZAOQK-WHOFXGATSA-N 0 0 310.394 0.555 10 0 DCAERN C[C@H](C(=O)NC1CCC(C)CC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246397436 395948605 /nfs/dbraw/zinc/94/86/05/395948605.db2.gz IOHXFZHMJAFHJN-QNOVJUQQSA-N 0 0 311.426 0.644 10 0 DCAERN C[C@H](CNC(=O)N(C)CCCn1ccnc1)N1CCOCC1 ZINC000137072821 395950164 /nfs/dbraw/zinc/95/01/64/395950164.db2.gz XRANKJFRLUDJQN-CQSZACIVSA-N 0 0 309.414 0.635 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465732 395950702 /nfs/dbraw/zinc/95/07/02/395950702.db2.gz PZMQUPKJWXPKME-CABCVRRESA-N 0 0 307.394 0.220 10 0 DCAERN CCOC(=O)CCNC(=O)OCCOCCOCCOC ZINC000137756159 395951415 /nfs/dbraw/zinc/95/14/15/395951415.db2.gz VFTYKPSDTVVOIU-UHFFFAOYSA-N 0 0 307.343 0.345 10 0 DCAERN CC(C)OCCS(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246609926 395954238 /nfs/dbraw/zinc/95/42/38/395954238.db2.gz WSRRWTULHJAHDE-ZIAGYGMSSA-N 0 0 320.455 0.394 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000248930134 395999958 /nfs/dbraw/zinc/99/99/58/395999958.db2.gz MFXSTUTXJXNSEA-CQDKDKBSSA-N 0 0 311.403 0.917 10 0 DCAERN CC(=O)NC[C@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000246668189 395955628 /nfs/dbraw/zinc/95/56/28/395955628.db2.gz HPFOFWMEWJCUDE-RDJZCZTQSA-N 0 0 322.405 0.572 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@@H](c2ccsc2)C1 ZINC000246667320 395955791 /nfs/dbraw/zinc/95/57/91/395955791.db2.gz QILITTBNYWIXFK-ZYHUDNBSSA-N 0 0 312.391 0.799 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246799053 395958128 /nfs/dbraw/zinc/95/81/28/395958128.db2.gz BALZHBZIQCUBHP-ZYHUDNBSSA-N 0 0 311.386 0.028 10 0 DCAERN 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HHNWICKTIVZRFI-BLLLJJGKSA-N 0 0 309.410 0.224 10 0 DCAERN CCOCCN1CCN(CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000247045784 395964832 /nfs/dbraw/zinc/96/48/32/395964832.db2.gz DZRYLNCBGNALCV-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCC[N@H+](CC(=O)[O-])CC1 ZINC000061145583 395966788 /nfs/dbraw/zinc/96/67/88/395966788.db2.gz FEUYRNMJZSBPOW-UHFFFAOYSA-N 0 0 321.443 0.446 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H](n3cncn3)C2)C[C@@H](C)O1 ZINC000247126641 395966976 /nfs/dbraw/zinc/96/69/76/395966976.db2.gz KAAJYOOLKZCGGB-MGPQQGTHSA-N 0 0 307.398 0.551 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)[C@H]1CCCO1 ZINC000247163189 395967980 /nfs/dbraw/zinc/96/79/80/395967980.db2.gz QHBRZXCNXZGDJV-NNYUYHANSA-N 0 0 304.412 0.771 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274688338 395968003 /nfs/dbraw/zinc/96/80/03/395968003.db2.gz UGGADDIAAYBXRS-MRXNPFEDSA-N 0 0 316.361 0.978 10 0 DCAERN CC(C)Cc1nsc(Nc2cnn(CC(=O)NCCO)c2)n1 ZINC000274729788 395971538 /nfs/dbraw/zinc/97/15/38/395971538.db2.gz ZXQONLVOGYOKAA-UHFFFAOYSA-N 0 0 324.410 0.785 10 0 DCAERN Cn1cc(NC(=O)CSCc2ccccn2)c(=O)n(C)c1=O ZINC000150734672 395971901 /nfs/dbraw/zinc/97/19/01/395971901.db2.gz KAXYUUSHQYHSTP-UHFFFAOYSA-N 0 0 320.374 0.351 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828391 395973653 /nfs/dbraw/zinc/97/36/53/395973653.db2.gz ZMPPYFJJXLHOFS-CQSZACIVSA-N 0 0 316.365 0.719 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H](c2cccs2)C1 ZINC000247662726 395977446 /nfs/dbraw/zinc/97/74/46/395977446.db2.gz XRMHFPAPAMKXEK-WDEREUQCSA-N 0 0 312.391 0.799 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000151228712 395982124 /nfs/dbraw/zinc/98/21/24/395982124.db2.gz FUZLWXWOMOVEBK-ZIAGYGMSSA-N 0 0 309.410 0.178 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151323313 395983304 /nfs/dbraw/zinc/98/33/04/395983304.db2.gz PWDYOOXSSGTRAK-RHSMWYFYSA-N 0 0 317.389 0.965 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)CNC(=O)c1cccnc1 ZINC000151377423 395984639 /nfs/dbraw/zinc/98/46/39/395984639.db2.gz LOCLWNLNYTWIRM-UHFFFAOYSA-N 0 0 320.393 0.576 10 0 DCAERN O=C(CN1C[C@H](O)C[C@H]1CO)N1CCC[C@H](C(F)(F)F)C1 ZINC000248395798 395986432 /nfs/dbraw/zinc/98/64/32/395986432.db2.gz OYORXNFZTXQUDM-GARJFASQSA-N 0 0 310.316 0.215 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000248416094 395987641 /nfs/dbraw/zinc/98/76/41/395987641.db2.gz INOCFXSWUMUPBQ-HUUCEWRRSA-N 0 0 308.378 0.011 10 0 DCAERN CCOC(=O)[C@H](CC(C)C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442502 395988190 /nfs/dbraw/zinc/98/81/90/395988190.db2.gz VLLWAAJVPDISSX-NEPJUHHUSA-N 0 0 306.428 0.588 10 0 DCAERN C[C@@H](OCC1CC1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000064722290 395988773 /nfs/dbraw/zinc/98/87/73/395988773.db2.gz JHLQOUHZSVIYQT-SNVBAGLBSA-N 0 0 312.391 0.765 10 0 DCAERN COCCC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248608477 395991247 /nfs/dbraw/zinc/99/12/47/395991247.db2.gz KKCCJIWYWMHOSS-KGLIPLIRSA-N 0 0 313.442 0.900 10 0 DCAERN COCCC(=O)N[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000065212740 395991338 /nfs/dbraw/zinc/99/13/38/395991338.db2.gz ZRMASRBEAXFBFI-CYBMUJFWSA-N 0 0 320.393 0.271 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248625287 395991557 /nfs/dbraw/zinc/99/15/57/395991557.db2.gz NSVAYESPCAGXCP-BFHYXJOUSA-N 0 0 320.455 0.130 10 0 DCAERN O=C(Cc1ccc(-n2cccn2)cc1)N[C@H]1CCC(=O)NC1=O ZINC000152167560 396001899 /nfs/dbraw/zinc/00/18/99/396001899.db2.gz NKBZETINOKHSFC-ZDUSSCGKSA-N 0 0 312.329 0.336 10 0 DCAERN Cn1ncc(N2CCC(C(=O)NCc3ccco3)CC2)cc1=O ZINC000065311298 395992465 /nfs/dbraw/zinc/99/24/65/395992465.db2.gz SSBQXJIUHWHSHY-UHFFFAOYSA-N 0 0 316.361 0.906 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NCC(F)(F)F ZINC000248771894 395996731 /nfs/dbraw/zinc/99/67/31/395996731.db2.gz ALGWMPOSZKBDSS-NGZCFLSTSA-N 0 0 308.300 0.938 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248817521 395997398 /nfs/dbraw/zinc/99/73/98/395997398.db2.gz UUEMFUVTFKZFEP-WCQYABFASA-N 0 0 323.397 0.511 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000154015410 396029203 /nfs/dbraw/zinc/02/92/03/396029203.db2.gz WXXJTTKFGPUBSK-STQMWFEESA-N 0 0 317.349 0.796 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154073103 396030561 /nfs/dbraw/zinc/03/05/61/396030561.db2.gz RHMXNDCRVISFER-LBPRGKRZSA-N 0 0 316.365 0.122 10 0 DCAERN COc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1C ZINC000154157534 396032733 /nfs/dbraw/zinc/03/27/33/396032733.db2.gz SZUOAWIHNWPRJF-CQSZACIVSA-N 0 0 308.378 0.427 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154144419 396032775 /nfs/dbraw/zinc/03/27/75/396032775.db2.gz WHSZACULQNZVKP-AWEZNQCLSA-N 0 0 324.446 0.896 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1nsc(N(C)C)n1 ZINC000154290603 396035985 /nfs/dbraw/zinc/03/59/85/396035985.db2.gz KAMJTQARFUZXQQ-BDAKNGLRSA-N 0 0 306.457 0.858 10 0 DCAERN CS(=O)(=O)c1cccc(OCCN2CCNC(=O)CC2)c1 ZINC000154667221 396041159 /nfs/dbraw/zinc/04/11/59/396041159.db2.gz RYZWWGPQBBBZOB-UHFFFAOYSA-N 0 0 312.391 0.291 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000155085977 396047105 /nfs/dbraw/zinc/04/71/05/396047105.db2.gz WPFRHEUIQDUZPV-UHFFFAOYSA-N 0 0 323.418 0.563 10 0 DCAERN CN1CC[C@H](NC(=O)NCC[C@H]2c3ccccc3NC2=O)C1=O ZINC000155439745 396051714 /nfs/dbraw/zinc/05/17/14/396051714.db2.gz KUUDDZAJCWPUET-AAEUAGOBSA-N 0 0 316.361 0.642 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)c2nccs2)CCS1(=O)=O ZINC000155564300 396053939 /nfs/dbraw/zinc/05/39/39/396053939.db2.gz LWQAGTCZKNJHIY-SECBINFHSA-N 0 0 303.409 0.225 10 0 DCAERN C[S@](=O)CCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000155790632 396057559 /nfs/dbraw/zinc/05/75/59/396057559.db2.gz IHUMPHNKXMOREM-ZUOKHONESA-N 0 0 302.440 0.468 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)NCCCc1cccc(F)c1 ZINC000068498193 396057976 /nfs/dbraw/zinc/05/79/76/396057976.db2.gz RCORRBHQERCXKU-GFCCVEGCSA-N 0 0 307.325 0.863 10 0 DCAERN COCCc1noc(CN2CC[NH2+]C[C@H]2c2cccnc2)n1 ZINC000261708784 396058829 /nfs/dbraw/zinc/05/88/29/396058829.db2.gz KEDGHBCUYOIVRO-ZDUSSCGKSA-N 0 0 303.366 0.800 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000155967427 396060359 /nfs/dbraw/zinc/06/03/59/396060359.db2.gz QDIVJXLBYGXHRA-UHFFFAOYSA-N 0 0 312.370 0.258 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000277435272 396067841 /nfs/dbraw/zinc/06/78/41/396067841.db2.gz DUJSBJZRSOFJAA-GMTAPVOTSA-N 0 0 308.338 0.145 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)NCC1CC1 ZINC000249104459 396002537 /nfs/dbraw/zinc/00/25/37/396002537.db2.gz WUYGQTGYRLNRHV-UPJWGTAASA-N 0 0 308.378 0.845 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1CCCN1Cc1ccccc1 ZINC000152186410 396003050 /nfs/dbraw/zinc/00/30/50/396003050.db2.gz GZDFYZXUPYXOER-ZIAGYGMSSA-N 0 0 315.373 0.572 10 0 DCAERN C[C@@H](c1nnnn1C)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000249266091 396004799 /nfs/dbraw/zinc/00/47/99/396004799.db2.gz IMXSDROBYTWUPI-RYUDHWBXSA-N 0 0 302.386 0.662 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H](O)c1ccc(F)cc1F ZINC000249357047 396006550 /nfs/dbraw/zinc/00/65/50/396006550.db2.gz LGNRZKGOCIPOEA-MJBXVCDLSA-N 0 0 315.316 0.997 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCS1(=O)=O ZINC000152688688 396014218 /nfs/dbraw/zinc/01/42/18/396014218.db2.gz ZVZJJGGRZMSSDP-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000251933860 396017988 /nfs/dbraw/zinc/01/79/88/396017988.db2.gz UCMGPKSCCQYWDO-SRVKXCTJSA-N 0 0 306.428 0.876 10 0 DCAERN O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@H]1COCCN1 ZINC000164704498 396087675 /nfs/dbraw/zinc/08/76/75/396087675.db2.gz JPNUGLXRKXQYIJ-SNVBAGLBSA-N 0 0 319.283 0.627 10 0 DCAERN COC(=O)c1nc(OC)nc(OC)c1I ZINC000167830057 396089686 /nfs/dbraw/zinc/08/96/86/396089686.db2.gz JWEBPBAJKMEWTP-UHFFFAOYSA-N 0 0 324.074 0.885 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000262032882 396092473 /nfs/dbraw/zinc/09/24/73/396092473.db2.gz SOGFUWFZFQPHBE-GXTWGEPZSA-N 0 0 317.389 0.646 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000262075476 396096465 /nfs/dbraw/zinc/09/64/65/396096465.db2.gz CAOMOHMTSDJFRB-DOMZBBRYSA-N 0 0 304.394 0.544 10 0 DCAERN CCc1noc(CC)c1CNC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000277996008 396099385 /nfs/dbraw/zinc/09/93/85/396099385.db2.gz DGHIYCPMZJDYJC-GXFFZTMASA-N 0 0 309.366 0.397 10 0 DCAERN C[C@H]([C@H](C)NC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1 ZINC000170918743 396101266 /nfs/dbraw/zinc/10/12/66/396101266.db2.gz LEAYCVUCMXWTOP-NWDGAFQWSA-N 0 0 308.382 0.616 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1 ZINC000070303034 396101533 /nfs/dbraw/zinc/10/15/33/396101533.db2.gz ARRPITFJZGPZCV-NSHDSACASA-N 0 0 313.375 0.812 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCNS(C)(=O)=O ZINC000170958255 396102408 /nfs/dbraw/zinc/10/24/08/396102408.db2.gz NPZDLSKBTLZZKM-SRVKXCTJSA-N 0 0 304.412 0.342 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000170982638 396103250 /nfs/dbraw/zinc/10/32/50/396103250.db2.gz WMFIXCHSOYKMRB-VXGBXAGGSA-N 0 0 309.370 0.822 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCC3CC3)C2)n(C)n1 ZINC000278118136 396106601 /nfs/dbraw/zinc/10/66/01/396106601.db2.gz LMHSAYWBMWQWTA-CYBMUJFWSA-N 0 0 319.409 0.340 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@](O)(C(F)(F)F)C1)nc2N ZINC000278160795 396109817 /nfs/dbraw/zinc/10/98/17/396109817.db2.gz CBJJMVWQCXWRFE-SNVBAGLBSA-N 0 0 302.260 0.449 10 0 DCAERN Cc1ccc(-n2cc(C(=O)NC[C@H]3CN(C)CCO3)nn2)cc1 ZINC000171287574 396112957 /nfs/dbraw/zinc/11/29/57/396112957.db2.gz UDYUHSYHKYFDAY-AWEZNQCLSA-N 0 0 315.377 0.636 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCc1nnc2n1CCCCC2 ZINC000171361841 396115359 /nfs/dbraw/zinc/11/53/59/396115359.db2.gz IPVDPIOQOOTTJS-GHMZBOCLSA-N 0 0 306.366 0.472 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000171411324 396116258 /nfs/dbraw/zinc/11/62/58/396116258.db2.gz VWIIKOGKLFSAFQ-OAHLLOKOSA-N 0 0 316.409 0.949 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171579426 396119699 /nfs/dbraw/zinc/11/96/99/396119699.db2.gz ONDOGGKAHBRSSG-VXGBXAGGSA-N 0 0 307.398 0.992 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171623919 396120265 /nfs/dbraw/zinc/12/02/65/396120265.db2.gz JDEFSGKGZBDRJO-GFCCVEGCSA-N 0 0 316.317 0.970 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705804 396122214 /nfs/dbraw/zinc/12/22/14/396122214.db2.gz YRLVNNKUOXOVSN-JTQLQIEISA-N 0 0 310.329 0.377 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCCOC1 ZINC000171690543 396122942 /nfs/dbraw/zinc/12/29/42/396122942.db2.gz SAEIOXDBHSOMJY-LLVKDONJSA-N 0 0 302.334 0.477 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000171744839 396124142 /nfs/dbraw/zinc/12/41/42/396124142.db2.gz DMMVTRDXMARXQS-VXGBXAGGSA-N 0 0 323.343 0.698 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)n(C)n1 ZINC000278454824 396125686 /nfs/dbraw/zinc/12/56/86/396125686.db2.gz RGCXDBBZTTUFCL-UONOGXRCSA-N 0 0 321.425 0.144 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263222549 396206707 /nfs/dbraw/zinc/20/67/07/396206707.db2.gz MDQBUKHWRGESMY-GHMZBOCLSA-N 0 0 303.353 0.891 10 0 DCAERN Cc1cnn(CCNC(=O)CCOc2cccc(C(N)=O)c2)c1 ZINC000176098998 396149750 /nfs/dbraw/zinc/14/97/50/396149750.db2.gz ZSKMNQCNVCVBKU-UHFFFAOYSA-N 0 0 316.361 0.876 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000073769198 396150464 /nfs/dbraw/zinc/15/04/64/396150464.db2.gz VMIMKBPVFZVPTM-UHFFFAOYSA-N 0 0 303.428 0.517 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000176142174 396150509 /nfs/dbraw/zinc/15/05/09/396150509.db2.gz AZYXQZBCXOFEJA-CABCVRRESA-N 0 0 321.425 0.696 10 0 DCAERN CC[C@H](NC(=O)NCCn1cc(C)cn1)C(=O)N1CCOCC1 ZINC000176527107 396156455 /nfs/dbraw/zinc/15/64/55/396156455.db2.gz ONBPWHSYRVOMCJ-ZDUSSCGKSA-N 0 0 323.397 0.128 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(Cc2cccnc2)CC1 ZINC000279276805 396162829 /nfs/dbraw/zinc/16/28/29/396162829.db2.gz NYSZKSSUYJUEJS-UHFFFAOYSA-N 0 0 324.450 0.976 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000176974351 396163202 /nfs/dbraw/zinc/16/32/02/396163202.db2.gz WIHRBZDNXVJLKB-VXGBXAGGSA-N 0 0 306.366 0.761 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N1CCOCC1 ZINC000176996604 396164316 /nfs/dbraw/zinc/16/43/16/396164316.db2.gz DRKKBNTUCUSAGX-OCCSQVGLSA-N 0 0 311.407 0.423 10 0 DCAERN CN(C)c1nc(N)nc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000178835496 396210682 /nfs/dbraw/zinc/21/06/82/396210682.db2.gz GLUTYHOQCYGSAP-SNVBAGLBSA-N 0 0 322.413 0.683 10 0 DCAERN CCNS(=O)(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000177183323 396168521 /nfs/dbraw/zinc/16/85/21/396168521.db2.gz QWBSLQIHKKGWKL-VIFPVBQESA-N 0 0 304.803 0.758 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCCOCC3)C2)cn1 ZINC000074615098 396170006 /nfs/dbraw/zinc/17/00/06/396170006.db2.gz SGVBUQLSBNQBBN-ZDUSSCGKSA-N 0 0 307.398 0.821 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224282 396170076 /nfs/dbraw/zinc/17/00/76/396170076.db2.gz BGGHOOKJOCWDHZ-RYUDHWBXSA-N 0 0 310.423 0.734 10 0 DCAERN CCN(C[C@H]1CCN(C(=O)[C@H]2COCCN2)C1)CC(F)(F)F ZINC000262675722 396171956 /nfs/dbraw/zinc/17/19/56/396171956.db2.gz RZAQNYGVWGABPK-VXGBXAGGSA-N 0 0 323.359 0.708 10 0 DCAERN Cc1cccc(N2CCN(C(=O)CSC[C@H](O)CO)CC2)c1 ZINC000177414886 396174046 /nfs/dbraw/zinc/17/40/46/396174046.db2.gz XJBQNHWWCLJDAQ-OAHLLOKOSA-N 0 0 324.446 0.730 10 0 DCAERN C[C@@H](C(=O)N1CCC(O)CC1)N1C(=O)c2ccccc2C1=O ZINC000075249401 396178691 /nfs/dbraw/zinc/17/86/91/396178691.db2.gz MZOJYDYBJMFMBP-JTQLQIEISA-N 0 0 302.330 0.654 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000177610925 396179324 /nfs/dbraw/zinc/17/93/24/396179324.db2.gz ISGHLUOTGMKNFN-NWDGAFQWSA-N 0 0 323.368 0.678 10 0 DCAERN O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177628225 396180441 /nfs/dbraw/zinc/18/04/41/396180441.db2.gz VWJWDPGFMPALPN-QMMMGPOBSA-N 0 0 321.287 0.626 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000177775784 396182969 /nfs/dbraw/zinc/18/29/69/396182969.db2.gz NNMOOWILMMIMQA-BZPMIXESSA-N 0 0 303.362 0.885 10 0 DCAERN CN(CCN1CCOCC1)C(=O)NCCCc1ccccn1 ZINC000178434612 396195896 /nfs/dbraw/zinc/19/58/96/396195896.db2.gz GKVDYBLTKLQTIK-UHFFFAOYSA-N 0 0 306.410 0.988 10 0 DCAERN O=C(NCc1ccccc1OCCO)[C@@H]1CC(F)(F)CN1 ZINC000263296027 396212201 /nfs/dbraw/zinc/21/22/01/396212201.db2.gz WHSSMHVBZWZPKN-NSHDSACASA-N 0 0 300.305 0.671 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(=O)n(C)n1 ZINC000180787162 396234519 /nfs/dbraw/zinc/23/45/19/396234519.db2.gz KSEKIJKCZICMND-UHFFFAOYSA-N 0 0 303.366 0.493 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2ccc(F)cc2F)n1 ZINC000077834217 396235013 /nfs/dbraw/zinc/23/50/13/396235013.db2.gz JIFISDQSSVIHSS-UHFFFAOYSA-N 0 0 310.260 0.954 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000180873757 396235173 /nfs/dbraw/zinc/23/51/73/396235173.db2.gz SOHIBWVHNJCOQN-UWVGGRQHSA-N 0 0 314.345 0.649 10 0 DCAERN C[C@H](c1ccco1)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000078272931 396241443 /nfs/dbraw/zinc/24/14/43/396241443.db2.gz IQUHJAXINZXFNX-SNVBAGLBSA-N 0 0 315.333 0.943 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1c[nH]nc1C ZINC000182378978 396249731 /nfs/dbraw/zinc/24/97/31/396249731.db2.gz SCRFKVKNGWHGOW-UHFFFAOYSA-N 0 0 300.322 0.938 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)[C@@H]1CCCO1 ZINC000078623532 396250198 /nfs/dbraw/zinc/25/01/98/396250198.db2.gz XIEKGPWIGYLWSI-MCIONIFRSA-N 0 0 312.410 0.992 10 0 DCAERN COCCOCC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000078678760 396251978 /nfs/dbraw/zinc/25/19/78/396251978.db2.gz PWZNCWJETWDLRE-AWEZNQCLSA-N 0 0 306.362 0.913 10 0 DCAERN NC(=O)Cn1cc(C(=O)Nc2ncn(C3CCCCC3)n2)nn1 ZINC000182677932 396252643 /nfs/dbraw/zinc/25/26/43/396252643.db2.gz IVUJWNSFNLLXIT-UHFFFAOYSA-N 0 0 318.341 0.112 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1nccn(C)c1=O ZINC000182724102 396253673 /nfs/dbraw/zinc/25/36/73/396253673.db2.gz XTBJUWSSBYEPLU-VIFPVBQESA-N 0 0 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/nfs/dbraw/zinc/28/33/79/396283379.db2.gz ATKNNCADRQLYJC-VIFPVBQESA-N 0 0 316.404 0.356 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000282290642 396277716 /nfs/dbraw/zinc/27/77/16/396277716.db2.gz YJTGBEKKNZPMGJ-ZWNOBZJWSA-N 0 0 316.361 0.613 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000179273493 396225159 /nfs/dbraw/zinc/22/51/59/396225159.db2.gz XPYPZTXFGFDDDD-AGIUHOORSA-N 0 0 312.414 0.016 10 0 DCAERN C[C@@H](CNC(=O)NCc1cn2c(n1)CCCC2)N1CCOCC1 ZINC000263727629 396226424 /nfs/dbraw/zinc/22/64/24/396226424.db2.gz GHHXTYCAELYHNZ-ZDUSSCGKSA-N 0 0 321.425 0.739 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnc2ccc(F)cc2c1 ZINC000179424601 396226549 /nfs/dbraw/zinc/22/65/49/396226549.db2.gz MXPWUJMYMXKKKZ-LBPRGKRZSA-N 0 0 301.277 0.909 10 0 DCAERN Cn1cc(-c2cc(CN3CCN4C(=O)NC[C@H]4C3)on2)cn1 ZINC000185020389 396313924 /nfs/dbraw/zinc/31/39/24/396313924.db2.gz QZQRIXHZEOIPDB-NSHDSACASA-N 0 0 302.338 0.285 10 0 DCAERN 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/nfs/dbraw/zinc/33/73/55/396337355.db2.gz NRTQMWRJHDDMEM-JTQLQIEISA-N 0 0 311.359 0.603 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3C[C@@H](O)C[C@H]3CO)CC2=O)cc1 ZINC000185940357 396337854 /nfs/dbraw/zinc/33/78/54/396337854.db2.gz KHJZFHQKWPYIHJ-SNPRPXQTSA-N 0 0 318.373 0.302 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)c(C)n2n1 ZINC000265709373 396338391 /nfs/dbraw/zinc/33/83/91/396338391.db2.gz UTHKRIJSEMQETB-SNVBAGLBSA-N 0 0 322.390 0.605 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCN(Cc3ccco3)CC2)CCC1=O ZINC000265816162 396344345 /nfs/dbraw/zinc/34/43/45/396344345.db2.gz QWCZZNCMJUGHCI-ZDUSSCGKSA-N 0 0 320.393 0.728 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(N)cc1 ZINC000186163823 396343238 /nfs/dbraw/zinc/34/32/38/396343238.db2.gz LLZRFUSJKPKFFB-GFCCVEGCSA-N 0 0 307.379 0.982 10 0 DCAERN C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CC(=O)N1C ZINC000283684044 396343317 /nfs/dbraw/zinc/34/33/17/396343317.db2.gz ZLKNKHUSGNVTJK-NWDGAFQWSA-N 0 0 305.382 0.105 10 0 DCAERN 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0.770 10 0 DCAERN O=C(Nc1ccc(-n2ccnc2)nc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188715602 396384890 /nfs/dbraw/zinc/38/48/90/396384890.db2.gz LQDJCEDVJZZCME-UHFFFAOYSA-N 0 0 309.333 0.888 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188749541 396385576 /nfs/dbraw/zinc/38/55/76/396385576.db2.gz LNCAENYXJGOVQM-CQSZACIVSA-N 0 0 319.405 0.250 10 0 DCAERN O=C(NC1CN(C(=O)NCCCN2CCOCC2)C1)C1CCC1 ZINC000188768248 396385754 /nfs/dbraw/zinc/38/57/54/396385754.db2.gz RKNPKRJTQUSXAS-UHFFFAOYSA-N 0 0 324.425 0.019 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2ccccn2)CCN1CCO ZINC000188805091 396386420 /nfs/dbraw/zinc/38/64/20/396386420.db2.gz FXAMMUSIRRKABE-ZDUSSCGKSA-N 0 0 309.435 0.840 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000188877444 396387798 /nfs/dbraw/zinc/38/77/98/396387798.db2.gz DWAHDBCHCKTXCV-LLVKDONJSA-N 0 0 316.423 0.471 10 0 DCAERN O=C(CCn1cncn1)N1Cc2cnnn2Cc2ccccc21 ZINC000189000091 396389907 /nfs/dbraw/zinc/38/99/07/396389907.db2.gz CYWWJYHLAGOEJQ-UHFFFAOYSA-N 0 0 309.333 0.855 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1=O ZINC000189059246 396390448 /nfs/dbraw/zinc/39/04/48/396390448.db2.gz OEVYOSKLESDEIK-ZDUSSCGKSA-N 0 0 305.378 0.892 10 0 DCAERN COCCN1CCCN(C(=O)C2(CCOC)CCC2)CC1=O ZINC000189051885 396390470 /nfs/dbraw/zinc/39/04/70/396390470.db2.gz KQPPBRBPALPCHQ-UHFFFAOYSA-N 0 0 312.410 0.901 10 0 DCAERN COc1ccnc(N2CCN(C[C@@H](O)CC(F)(F)F)CC2)n1 ZINC000189127472 396391432 /nfs/dbraw/zinc/39/14/32/396391432.db2.gz ZLRGYMHMXORNGS-JTQLQIEISA-N 0 0 320.315 0.921 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCc2ccccc2C1 ZINC000189291034 396392896 /nfs/dbraw/zinc/39/28/96/396392896.db2.gz YDUYCFBKXJGTJL-CYBMUJFWSA-N 0 0 301.390 0.782 10 0 DCAERN Cc1csc2nc(CN3CCCNC(=O)[C@H]3C)cc(=O)n12 ZINC000189317092 396393407 /nfs/dbraw/zinc/39/34/07/396393407.db2.gz CXCOYEPIXZSDAF-SNVBAGLBSA-N 0 0 306.391 0.775 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@H](C)C(=O)N(C)C)CC2)n[nH]1 ZINC000189716601 396397741 /nfs/dbraw/zinc/39/77/41/396397741.db2.gz KGXFPSQNMATEFW-LLVKDONJSA-N 0 0 308.386 0.026 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000189795920 396399332 /nfs/dbraw/zinc/39/93/32/396399332.db2.gz IIMKKSFLVVZYAN-NWDGAFQWSA-N 0 0 308.382 0.781 10 0 DCAERN CN1CCCN(C(=O)CCCc2nc(C3CC3)no2)CC1=O ZINC000189797041 396399360 /nfs/dbraw/zinc/39/93/60/396399360.db2.gz PHASMEAEBGXFAH-UHFFFAOYSA-N 0 0 306.366 0.960 10 0 DCAERN COCCn1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000189811061 396400269 /nfs/dbraw/zinc/40/02/69/396400269.db2.gz RKQYTOLXSYSCOW-CYBMUJFWSA-N 0 0 308.382 0.123 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1nc(-c2ccncc2)no1 ZINC000189972796 396401783 /nfs/dbraw/zinc/40/17/83/396401783.db2.gz QJHWUTAYEKFAEO-GXSJLCMTSA-N 0 0 324.362 0.728 10 0 DCAERN Cn1cnn(CC(=O)N[C@@H]2CCCc3c(O)cccc32)c1=O ZINC000190309166 396404763 /nfs/dbraw/zinc/40/47/63/396404763.db2.gz OHDQBKHNWMHNBI-GFCCVEGCSA-N 0 0 302.334 0.481 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000190462813 396406552 /nfs/dbraw/zinc/40/65/52/396406552.db2.gz KGJNAYBNHRUDOF-KGLIPLIRSA-N 0 0 320.437 0.908 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000190519943 396407282 /nfs/dbraw/zinc/40/72/82/396407282.db2.gz XBVIWAIVNKLPFK-HTQZYQBOSA-N 0 0 307.272 0.092 10 0 DCAERN CCN1CN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1=O ZINC000190532394 396407958 /nfs/dbraw/zinc/40/79/58/396407958.db2.gz RXHUCYVWIGTYQO-LLVKDONJSA-N 0 0 304.350 0.845 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCS(=O)(=O)[C@@H](C)C1 ZINC000190587762 396408342 /nfs/dbraw/zinc/40/83/42/396408342.db2.gz IYDHLDQHUBYFSW-LBPRGKRZSA-N 0 0 311.469 0.710 10 0 DCAERN CCNS(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190590860 396408517 /nfs/dbraw/zinc/40/85/17/396408517.db2.gz ZTJQUTDSEMLZBV-GFCCVEGCSA-N 0 0 315.370 0.371 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)NC2CCCCC2)CC1=O ZINC000190635915 396409020 /nfs/dbraw/zinc/40/90/20/396409020.db2.gz LVCWQCOSBAPVAQ-UHFFFAOYSA-N 0 0 310.398 0.309 10 0 DCAERN CCCCCNC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772222 396411312 /nfs/dbraw/zinc/41/13/12/396411312.db2.gz KMEVMLWEKRQLKT-CQSZACIVSA-N 0 0 313.442 0.862 10 0 DCAERN COCCN1CCCN(C[C@H](O)COC(C)(C)C)CC1=O ZINC000190763945 396411338 /nfs/dbraw/zinc/41/13/38/396411338.db2.gz WTOSXIJBKGLUQH-ZDUSSCGKSA-N 0 0 302.415 0.343 10 0 DCAERN COCCN1CCCN([C@@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809208 396411956 /nfs/dbraw/zinc/41/19/56/396411956.db2.gz UOPIFMYZKHIKCN-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN CC(=O)N1CC(C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000190976380 396413122 /nfs/dbraw/zinc/41/31/22/396413122.db2.gz WAQPGIZTHQLTAX-UHFFFAOYSA-N 0 0 302.378 0.645 10 0 DCAERN C[C@H](NC(=O)NCCS(N)(=O)=O)c1cccc(Cl)c1 ZINC000193148964 396444990 /nfs/dbraw/zinc/44/49/90/396444990.db2.gz NAGDNZULXLHONL-QMMMGPOBSA-N 0 0 305.787 0.989 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCN(C)C(=O)C1 ZINC000191090038 396415305 /nfs/dbraw/zinc/41/53/05/396415305.db2.gz MJSIXHBQLUNPBY-OLZOCXBDSA-N 0 0 324.425 0.555 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000191119689 396415846 /nfs/dbraw/zinc/41/58/46/396415846.db2.gz ZAWYLZJGXKAVJD-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@H](O)C2)cc1 ZINC000191208302 396416474 /nfs/dbraw/zinc/41/64/74/396416474.db2.gz NIMPUZANGIJFMH-YPMHNXCESA-N 0 0 306.362 0.702 10 0 DCAERN COCCN1CCCN(C(=O)COc2ccc(F)cc2)CC1=O ZINC000191243569 396417362 /nfs/dbraw/zinc/41/73/62/396417362.db2.gz IMOKYSVNLMFDCW-UHFFFAOYSA-N 0 0 324.352 0.912 10 0 DCAERN COCCN1CCCN(C(=O)Cc2c(C)nn(C)c2C)CC1=O ZINC000191221567 396417570 /nfs/dbraw/zinc/41/75/70/396417570.db2.gz JWMBVCOUPJWADR-UHFFFAOYSA-N 0 0 322.409 0.287 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCC(=O)N1CCCCCC1 ZINC000191325978 396418102 /nfs/dbraw/zinc/41/81/02/396418102.db2.gz XRNCNPFKEYAWFC-ZDUSSCGKSA-N 0 0 324.425 0.699 10 0 DCAERN COCCN1CCCN(S(=O)(=O)CCC(C)C)CC1=O ZINC000191392723 396419031 /nfs/dbraw/zinc/41/90/31/396419031.db2.gz SLQSVIZHSQXTCN-UHFFFAOYSA-N 0 0 306.428 0.543 10 0 DCAERN CCN1CN(C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000191894026 396426542 /nfs/dbraw/zinc/42/65/42/396426542.db2.gz VDPANFVYPJORSG-UHFFFAOYSA-N 0 0 314.349 0.599 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000192619464 396433285 /nfs/dbraw/zinc/43/32/85/396433285.db2.gz GDZIRMROEOYGID-IHRRRGAJSA-N 0 0 312.410 0.755 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nc(N(C)C)no2)C1 ZINC000192812424 396437963 /nfs/dbraw/zinc/43/79/63/396437963.db2.gz IXNWVDQRRYODIB-VHSXEESVSA-N 0 0 308.342 0.789 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCCO ZINC000193056089 396442714 /nfs/dbraw/zinc/44/27/14/396442714.db2.gz UQODXDROAIFFFF-GFCCVEGCSA-N 0 0 306.428 0.469 10 0 DCAERN O=C(NC1CN(S(=O)(=O)Cc2cccc(F)c2)C1)C1CC1 ZINC000187920454 396376398 /nfs/dbraw/zinc/37/63/98/396376398.db2.gz UWJPKZDRRZPZCI-UHFFFAOYSA-N 0 0 312.366 0.866 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000187987998 396377054 /nfs/dbraw/zinc/37/70/54/396377054.db2.gz GUEAIOMGAUIOFX-UHFFFAOYSA-N 0 0 308.363 0.127 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1)n1cncn1 ZINC000188080661 396378658 /nfs/dbraw/zinc/37/86/58/396378658.db2.gz GMQONMKZITXIRR-NSHDSACASA-N 0 0 315.381 0.788 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000188096725 396379212 /nfs/dbraw/zinc/37/92/12/396379212.db2.gz NGZGYXBOGCPTDK-CYBMUJFWSA-N 0 0 317.389 0.472 10 0 DCAERN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000268974193 396379741 /nfs/dbraw/zinc/37/97/41/396379741.db2.gz OENSDNUCOUYWNS-QLFBSQMISA-N 0 0 322.430 0.778 10 0 DCAERN CN1CCCN(S(=O)(=O)Cc2cccc(F)c2)CC1=O ZINC000188223360 396380537 /nfs/dbraw/zinc/38/05/37/396380537.db2.gz PTNQPMIVDXAIGD-UHFFFAOYSA-N 0 0 300.355 0.820 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@H]1C ZINC000291742058 396510029 /nfs/dbraw/zinc/51/00/29/396510029.db2.gz LUFYYZVHEAWKDG-VHSXEESVSA-N 0 0 306.366 0.872 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000372357806 396510254 /nfs/dbraw/zinc/51/02/54/396510254.db2.gz PVHWFOLYWBZSAO-GHMZBOCLSA-N 0 0 309.366 0.535 10 0 DCAERN CCCN(CCO)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000193236673 396447021 /nfs/dbraw/zinc/44/70/21/396447021.db2.gz ZRLOXSXOHDYUCK-UHFFFAOYSA-N 0 0 307.398 0.859 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)co1 ZINC000270169954 396462378 /nfs/dbraw/zinc/46/23/78/396462378.db2.gz KXKYNPOSKUQUFP-DTORHVGOSA-N 0 0 302.352 0.437 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000270174437 396462448 /nfs/dbraw/zinc/46/24/48/396462448.db2.gz XZPHQUCXTXVQEL-AAEUAGOBSA-N 0 0 305.382 0.718 10 0 DCAERN CC(C)(C)OC(=O)N1CC(C(=O)N2CC(n3ccnn3)C2)C1 ZINC000371758542 396476013 /nfs/dbraw/zinc/47/60/13/396476013.db2.gz GFIVTOROBPRODN-UHFFFAOYSA-N 0 0 307.354 0.528 10 0 DCAERN CCCc1cc(N2CCN3CCOC[C@H]3C2)n2ncnc2n1 ZINC000371800542 396476854 /nfs/dbraw/zinc/47/68/54/396476854.db2.gz BXACBSKWKYYFND-CYBMUJFWSA-N 0 0 302.382 0.598 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371796512 396476891 /nfs/dbraw/zinc/47/68/91/396476891.db2.gz QNUVTHDAVQUMJR-HNNXBMFYSA-N 0 0 318.373 0.811 10 0 DCAERN O=C(Cc1ccccc1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000371839334 396478426 /nfs/dbraw/zinc/47/84/26/396478426.db2.gz SJBBFXHCLJOFSM-MLGOLLRUSA-N 0 0 301.346 0.724 10 0 DCAERN CCOc1cccc(CCNC(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000372111242 396490016 /nfs/dbraw/zinc/49/00/16/396490016.db2.gz PVTKDOJLZSXKRM-AWEZNQCLSA-N 0 0 321.377 0.524 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 ZINC000372454462 396518477 /nfs/dbraw/zinc/51/84/77/396518477.db2.gz JQYHUWVHUCZNAC-RYUDHWBXSA-N 0 0 303.366 0.897 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000594852559 396528091 /nfs/dbraw/zinc/52/80/91/396528091.db2.gz RFSYOLFWCOSYHA-QWRGUYRKSA-N 0 0 308.400 0.273 10 0 DCAERN Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1nnn(C)n1 ZINC000373333376 396584808 /nfs/dbraw/zinc/58/48/08/396584808.db2.gz PXEACVGRUXDCPF-LBPRGKRZSA-N 0 0 303.370 0.985 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000581352645 396546887 /nfs/dbraw/zinc/54/68/87/396546887.db2.gz PMGGCDXNCMNCNC-BONVTDFDSA-N 0 0 305.334 0.137 10 0 DCAERN CCO[C@@H]1C[C@@]2(NC(=O)N([C@H]3CCCN(C)C3=O)C2=O)C1(C)C ZINC000581406471 396551661 /nfs/dbraw/zinc/55/16/61/396551661.db2.gz NOFHQRDJUJILGH-USBNGQNGSA-N 0 0 323.393 0.733 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CCn3nnc(CO)c3C2)c1 ZINC000581558282 396565217 /nfs/dbraw/zinc/56/52/17/396565217.db2.gz LXRGNDRRTXBFEK-UHFFFAOYSA-N 0 0 300.318 0.629 10 0 DCAERN CCNC(=O)CNC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000373204414 396574255 /nfs/dbraw/zinc/57/42/55/396574255.db2.gz QYPJJZZDPZECBB-UHFFFAOYSA-N 0 0 309.345 0.188 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000374220603 396648892 /nfs/dbraw/zinc/64/88/92/396648892.db2.gz WBYMICJBFSNGGV-LHMODEAPSA-N 0 0 306.366 0.233 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1n[nH]c2c1CCC2 ZINC000585734068 396651445 /nfs/dbraw/zinc/65/14/45/396651445.db2.gz ORDCDQJBDDBELU-UHFFFAOYSA-N 0 0 312.395 0.054 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)CCO1 ZINC000374285066 396652671 /nfs/dbraw/zinc/65/26/71/396652671.db2.gz RQJWKYKERSBWPR-ILXRZTDVSA-N 0 0 311.426 0.918 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)C1 ZINC000374302270 396654362 /nfs/dbraw/zinc/65/43/62/396654362.db2.gz MMYHLWXLCVUHJV-YVECIDJPSA-N 0 0 318.439 0.729 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCC[C@]2(C)CO)[nH]n1 ZINC000562272511 396654740 /nfs/dbraw/zinc/65/47/40/396654740.db2.gz ZSBIFGMJRSVMOU-MEBBXXQBSA-N 0 0 308.382 0.139 10 0 DCAERN COCCN(C)S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373683424 396607438 /nfs/dbraw/zinc/60/74/38/396607438.db2.gz PIFBOQUDGDOOMO-ZDUSSCGKSA-N 0 0 322.427 0.079 10 0 DCAERN CCOC(=O)[C@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000374103292 396639713 /nfs/dbraw/zinc/63/97/13/396639713.db2.gz ABEZBCXJNNQODN-HZSPNIEDSA-N 0 0 310.394 0.794 10 0 DCAERN COCCn1ccc(C(=O)N2CCCNC(=O)[C@H]2CC(C)C)n1 ZINC000293895792 396640299 /nfs/dbraw/zinc/64/02/99/396640299.db2.gz KYMDGMVXSYBUIH-CQSZACIVSA-N 0 0 322.409 0.906 10 0 DCAERN Cc1noc(CCNC(=O)NCCc2cn3c(n2)CCCC3)n1 ZINC000585830627 396661665 /nfs/dbraw/zinc/66/16/65/396661665.db2.gz OCEZKJMANPJGMX-UHFFFAOYSA-N 0 0 318.381 0.995 10 0 DCAERN CC(C)OCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000586605907 396661739 /nfs/dbraw/zinc/66/17/39/396661739.db2.gz VRBATTNTTGTAHQ-UHFFFAOYSA-N 0 0 321.443 0.526 10 0 DCAERN CN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000374486628 396667389 /nfs/dbraw/zinc/66/73/89/396667389.db2.gz XCCLKSINEQXPQA-UHFFFAOYSA-N 0 0 322.361 0.417 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCSCC1 ZINC000587123988 396671257 /nfs/dbraw/zinc/67/12/57/396671257.db2.gz NKPVCMZBWZEZQC-UHFFFAOYSA-N 0 0 307.441 0.170 10 0 DCAERN Cc1nc(CN(C)C(=O)[C@@H]2COCCN2CC(F)(F)F)no1 ZINC000375083707 396710537 /nfs/dbraw/zinc/71/05/37/396710537.db2.gz HQBCMDOJVBENLG-VIFPVBQESA-N 0 0 322.287 0.600 10 0 DCAERN CCc1nnc(N2CCC([C@@H](O)C(N)=O)CC2)c(C#N)c1CC ZINC000299742662 396714007 /nfs/dbraw/zinc/71/40/07/396714007.db2.gz IDYGHGIKWIZSEZ-CQSZACIVSA-N 0 0 317.393 0.536 10 0 DCAERN CNS(=O)(=O)CCNc1cc(C)nc(-c2ccncc2)n1 ZINC000302533139 396720864 /nfs/dbraw/zinc/72/08/64/396720864.db2.gz FVENQIWPSHAOPR-UHFFFAOYSA-N 0 0 307.379 0.808 10 0 DCAERN CN(C)C(=O)c1cccc(CN2CCN3CCOC[C@@H]3C2)c1 ZINC000375239379 396720990 /nfs/dbraw/zinc/72/09/90/396720990.db2.gz FTKNCPFHNVLVEQ-INIZCTEOSA-N 0 0 303.406 0.905 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN2c2ncncc2Cl)CC1 ZINC000302633086 396721139 /nfs/dbraw/zinc/72/11/39/396721139.db2.gz JNPIMACNIUNCAH-GFCCVEGCSA-N 0 0 309.801 0.873 10 0 DCAERN COc1cc(OC)c2ncnc(N3CC[C@@H](C(N)=O)C3)c2c1 ZINC000302743272 396721974 /nfs/dbraw/zinc/72/19/74/396721974.db2.gz RHMCBIKENTZPKP-SECBINFHSA-N 0 0 302.334 0.959 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629570402 396791862 /nfs/dbraw/zinc/79/18/62/396791862.db2.gz JJSIVHQNGXZIQM-QJGQKNTRSA-N 0 0 302.396 0.285 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](CO)C3)C2)cn1 ZINC000304375408 396731414 /nfs/dbraw/zinc/73/14/14/396731414.db2.gz GGQHAOXBNDLLQX-QWHCGFSZSA-N 0 0 307.398 0.413 10 0 DCAERN COC(=O)CCNC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465594 396751641 /nfs/dbraw/zinc/75/16/41/396751641.db2.gz OUKBJOHNNXMVPT-NSHDSACASA-N 0 0 322.365 0.416 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000610714492 396754685 /nfs/dbraw/zinc/75/46/85/396754685.db2.gz MBDVSTKBMMCGRG-MGPQQGTHSA-N 0 0 312.410 0.945 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000375483274 396755921 /nfs/dbraw/zinc/75/59/21/396755921.db2.gz LDXVYQFEYFIXHQ-DTWKUNHWSA-N 0 0 304.334 0.313 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375487394 396756639 /nfs/dbraw/zinc/75/66/39/396756639.db2.gz QKWRXJZGMJJPSL-LLVKDONJSA-N 0 0 321.381 0.924 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)NCC[C@@H](O)C(F)F ZINC000633994264 396766792 /nfs/dbraw/zinc/76/67/92/396766792.db2.gz MTYPMFPRXCZFTC-JGVFFNPUSA-N 0 0 306.334 0.999 10 0 DCAERN COC(=O)C(C)(C)[C@@H](NC(=O)NC(CO)CO)c1ccccc1 ZINC000610851932 396772024 /nfs/dbraw/zinc/77/20/24/396772024.db2.gz QEHDVIMMCAABOT-ZDUSSCGKSA-N 0 0 324.377 0.579 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C)CC1 ZINC000590671625 396823407 /nfs/dbraw/zinc/82/34/07/396823407.db2.gz ZUEDADNHMMNKSQ-JSGCOSHPSA-N 0 0 309.410 0.762 10 0 DCAERN Cn1ncc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)c1N ZINC000328632255 396826952 /nfs/dbraw/zinc/82/69/52/396826952.db2.gz LGGJRFMNBZCMGB-GFCCVEGCSA-N 0 0 307.398 0.185 10 0 DCAERN CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@@H]1c1nccn1C ZINC000328630283 396827404 /nfs/dbraw/zinc/82/74/04/396827404.db2.gz PSSGRWKATDEEQF-DOMZBBRYSA-N 0 0 324.450 0.493 10 0 DCAERN Cn1c(Cl)cnc1CN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328640728 396828169 /nfs/dbraw/zinc/82/81/69/396828169.db2.gz QCKHCIKNDUIARJ-ZETCQYMHSA-N 0 0 310.745 0.893 10 0 DCAERN CCN1CCN(C(=O)c2c[nH]c(C)n2)C[C@H]1c1nccn1C ZINC000328644365 396829640 /nfs/dbraw/zinc/82/96/40/396829640.db2.gz ZETUXDYNCCVRSU-ZDUSSCGKSA-N 0 0 302.382 0.971 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000375881139 396839168 /nfs/dbraw/zinc/83/91/68/396839168.db2.gz ZYLGOTULZHZCCF-ZENOOKHLSA-N 0 0 314.426 0.519 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000564574775 396843580 /nfs/dbraw/zinc/84/35/80/396843580.db2.gz JLRQBGBWCMHDCH-WISYIIOYSA-N 0 0 301.387 0.345 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000375952782 396850202 /nfs/dbraw/zinc/85/02/02/396850202.db2.gz DBQIHCHLAILCET-UMSGYPCISA-N 0 0 322.409 0.163 10 0 DCAERN c1noc([C@@H]2COCCN2Cc2nnc3n2CCCCC3)n1 ZINC000625414196 396866045 /nfs/dbraw/zinc/86/60/45/396866045.db2.gz KTNJDZMKKVFHPO-NSHDSACASA-N 0 0 304.354 0.961 10 0 DCAERN COCCCCS(=O)(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000375714183 396802777 /nfs/dbraw/zinc/80/27/77/396802777.db2.gz KEYUFNZGOVUNJA-CYBMUJFWSA-N 0 0 307.412 0.624 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)OC)CC2 ZINC000375767573 396815234 /nfs/dbraw/zinc/81/52/34/396815234.db2.gz GGKAIXIGLTXVMX-VWYCJHECSA-N 0 0 306.366 0.471 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000376109560 396877759 /nfs/dbraw/zinc/87/77/59/396877759.db2.gz FIPLHTYQOYBKTC-QXSJWSMHSA-N 0 0 318.373 0.615 10 0 DCAERN Cn1nnc2cc(C(=O)NCCc3nnc4n3CCC4)ccc21 ZINC000591144803 396879014 /nfs/dbraw/zinc/87/90/14/396879014.db2.gz BXHCNTSVRTZPHH-UHFFFAOYSA-N 0 0 311.349 0.479 10 0 DCAERN CCOC(=O)c1sc(N2CCC[C@](O)(CO)C2)nc1C ZINC000591173620 396882922 /nfs/dbraw/zinc/88/29/22/396882922.db2.gz KEUZEUSPRMLCSD-CYBMUJFWSA-N 0 0 300.380 0.952 10 0 DCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(OCCO)CC1 ZINC000333159851 396919858 /nfs/dbraw/zinc/91/98/58/396919858.db2.gz LRIJQCKAQIAAHJ-MBNYWOFBSA-N 0 0 303.424 0.978 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000618316792 396958480 /nfs/dbraw/zinc/95/84/80/396958480.db2.gz KKDCCTLIBRUSRI-KGYLQXTDSA-N 0 0 316.423 0.469 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@]1(C)CC1(F)F ZINC000618612889 396999627 /nfs/dbraw/zinc/99/96/27/396999627.db2.gz YIHANZUEUUQSNB-JTQLQIEISA-N 0 0 307.322 0.448 10 0 DCAERN CCc1cncc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618677040 397010429 /nfs/dbraw/zinc/01/04/29/397010429.db2.gz WLNMUBRDXGBJIX-LLVKDONJSA-N 0 0 311.407 0.750 10 0 DCAERN CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1 ZINC000572250423 397038667 /nfs/dbraw/zinc/03/86/67/397038667.db2.gz SUQHNGCPCUWMJX-TUAOUCFPSA-N 0 0 301.408 0.996 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCn1cccc1 ZINC000618753803 397022744 /nfs/dbraw/zinc/02/27/44/397022744.db2.gz WGGQKOOOEDDOBC-NWDGAFQWSA-N 0 0 309.366 0.451 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C)CCOCC1 ZINC000618756655 397023939 /nfs/dbraw/zinc/02/39/39/397023939.db2.gz UGQBZWOCCVDIFA-MNOVXSKESA-N 0 0 314.382 0.376 10 0 DCAERN CCC[C@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000618795093 397025486 /nfs/dbraw/zinc/02/54/86/397025486.db2.gz BFSLFCSNSLHHMU-DCAQKATOSA-N 0 0 301.387 0.931 10 0 DCAERN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)NCc2cn(C)nn2)C1 ZINC000618379241 396973562 /nfs/dbraw/zinc/97/35/62/396973562.db2.gz GQKCQMRXURLKSL-HNNXBMFYSA-N 0 0 323.397 0.936 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000572800825 397095728 /nfs/dbraw/zinc/09/57/28/397095728.db2.gz QIVUYNJTKUZIJD-LJISPDSOSA-N 0 0 322.405 0.698 10 0 DCAERN COC(=O)c1nn(Cc2nnc3n2CCOC3)c2c1CCCC2 ZINC000619549860 397148479 /nfs/dbraw/zinc/14/84/79/397148479.db2.gz SSCFQZRUXZTCNP-UHFFFAOYSA-N 0 0 317.349 0.719 10 0 DCAERN c1[nH]nc2c1C[C@H]([NH2+]Cc1cn(C[C@@H]3CCOC3)nn1)CC2 ZINC000631077061 397165330 /nfs/dbraw/zinc/16/53/30/397165330.db2.gz WBCUOXDJKODFCY-WCQYABFASA-N 0 0 302.382 0.685 10 0 DCAERN COC(=O)CC1(CN2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC000619649309 397170814 /nfs/dbraw/zinc/17/08/14/397170814.db2.gz WMUUSRHFAPGYSP-UHFFFAOYSA-N 0 0 307.398 0.574 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2onc(C)c21 ZINC000619697907 397175642 /nfs/dbraw/zinc/17/56/42/397175642.db2.gz WYOLCXIADLLUMH-BDAKNGLRSA-N 0 0 321.337 0.794 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)C1 ZINC000619761324 397189347 /nfs/dbraw/zinc/18/93/47/397189347.db2.gz MUAOJTRRGWZXSS-XQHKEYJVSA-N 0 0 312.366 0.527 10 0 DCAERN O=C(N[C@@H](C1CC1)C(F)(F)F)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000626565787 397193325 /nfs/dbraw/zinc/19/33/25/397193325.db2.gz ASQXZQURWSYPOF-BBBLOLIVSA-N 0 0 319.287 0.546 10 0 DCAERN CCN1CC[C@@H](NC(=O)Cc2ccc([S@@](C)=O)cc2)C1=O ZINC000619825113 397197812 /nfs/dbraw/zinc/19/78/12/397197812.db2.gz HTJAFLDJLWUQDP-LRTDBIEQSA-N 0 0 308.403 0.704 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000626621591 397208469 /nfs/dbraw/zinc/20/84/69/397208469.db2.gz XXXZKYYKJAFZHW-SNVBAGLBSA-N 0 0 308.281 0.829 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000364516263 397213850 /nfs/dbraw/zinc/21/38/50/397213850.db2.gz DIBVCVVVOVDUCM-LLVKDONJSA-N 0 0 318.362 0.727 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC000601819070 397249662 /nfs/dbraw/zinc/24/96/62/397249662.db2.gz UFHFONKWJCQRTQ-DKRCXCIFSA-N 0 0 315.391 0.698 10 0 DCAERN Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)nc(-c2ccccn2)n1 ZINC000601755100 397237818 /nfs/dbraw/zinc/23/78/18/397237818.db2.gz QOJVLPIFVZOZHY-NSHDSACASA-N 0 0 319.390 0.714 10 0 DCAERN CC(=O)CSCC(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000598531578 397245280 /nfs/dbraw/zinc/24/52/80/397245280.db2.gz LESBVNFQJWALRV-UHFFFAOYSA-N 0 0 306.387 0.992 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H]1CCS(=O)(=O)C1 ZINC000364902210 397247115 /nfs/dbraw/zinc/24/71/15/397247115.db2.gz NUFVAEKODGDULR-XQHKEYJVSA-N 0 0 301.408 0.695 10 0 DCAERN O=C(CN1CSCC1=O)N1CC[C@@H](O)c2ccccc2C1 ZINC000378632859 397266331 /nfs/dbraw/zinc/26/63/31/397266331.db2.gz MUFMWYWHTWRHLQ-CYBMUJFWSA-N 0 0 306.387 0.985 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000385602346 397283972 /nfs/dbraw/zinc/28/39/72/397283972.db2.gz DALKINCMXUJYMN-PSASIEDQSA-N 0 0 307.803 0.855 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000365615848 397301994 /nfs/dbraw/zinc/30/19/94/397301994.db2.gz ZZAIBTQEWNFFNM-BZPMIXESSA-N 0 0 322.386 0.519 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000613718965 397307817 /nfs/dbraw/zinc/30/78/17/397307817.db2.gz NVRVWRLTQLBNMR-RYUDHWBXSA-N 0 0 322.427 0.614 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cncc(Cl)n1 ZINC000365295161 397263698 /nfs/dbraw/zinc/26/36/98/397263698.db2.gz KDADBCDXGZZPGJ-JTQLQIEISA-N 0 0 324.768 0.640 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)C1CCCC1 ZINC000407958091 397337201 /nfs/dbraw/zinc/33/72/01/397337201.db2.gz PHUYNDLCCRXOHO-OAHLLOKOSA-N 0 0 307.394 0.515 10 0 DCAERN CN(CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000407961106 397338170 /nfs/dbraw/zinc/33/81/70/397338170.db2.gz AUBASOQJKKKCDD-UPJWGTAASA-N 0 0 318.439 0.420 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366115232 397338635 /nfs/dbraw/zinc/33/86/35/397338635.db2.gz OXZBERDYEHMRFN-LPWJVIDDSA-N 0 0 313.398 0.332 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H](C)C1 ZINC000407963684 397338785 /nfs/dbraw/zinc/33/87/85/397338785.db2.gz QSJLLJGTNSOYEX-RYUDHWBXSA-N 0 0 303.366 0.786 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCN(C3CC3)C(=O)C2)cnn1C ZINC000407966274 397339587 /nfs/dbraw/zinc/33/95/87/397339587.db2.gz AFCXXROKYQZALY-JTQLQIEISA-N 0 0 305.382 0.806 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)cs2)CC(=O)N1C ZINC000407967683 397340380 /nfs/dbraw/zinc/34/03/80/397340380.db2.gz DIONFRFOYBOELT-MRVPVSSYSA-N 0 0 316.404 0.454 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccnn2C)[nH]1 ZINC000407978023 397342438 /nfs/dbraw/zinc/34/24/38/397342438.db2.gz VDSZOHBIDSWCEF-JTQLQIEISA-N 0 0 310.383 0.763 10 0 DCAERN CC(=O)c1cn(CC(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)nn1 ZINC000621140121 397342900 /nfs/dbraw/zinc/34/29/00/397342900.db2.gz IYPFBSZKGDMCPE-AMIZOPFISA-N 0 0 316.308 0.752 10 0 DCAERN CNS(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046353 397344807 /nfs/dbraw/zinc/34/48/07/397344807.db2.gz WGAVVRHKDINEBT-BFHYXJOUSA-N 0 0 320.455 0.178 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC000408039416 397345030 /nfs/dbraw/zinc/34/50/30/397345030.db2.gz XJIBGROOEGLZRB-XQLPTFJDSA-N 0 0 324.421 0.897 10 0 DCAERN CNS(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408046364 397345130 /nfs/dbraw/zinc/34/51/30/397345130.db2.gz WGAVVRHKDINEBT-MJBXVCDLSA-N 0 0 320.455 0.178 10 0 DCAERN Cc1nc([C@@H]2CCCCCN2C(=O)CS(C)(=O)=O)no1 ZINC000408154894 397347958 /nfs/dbraw/zinc/34/79/58/397347958.db2.gz RMWPZRYUWONNPF-JTQLQIEISA-N 0 0 301.368 0.866 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000408210447 397350672 /nfs/dbraw/zinc/35/06/72/397350672.db2.gz HPKMEEQAJMLTMC-NEPJUHHUSA-N 0 0 320.455 0.523 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)O1 ZINC000408321337 397352441 /nfs/dbraw/zinc/35/24/41/397352441.db2.gz SLVNAAGSVXGLEB-GRYCIOLGSA-N 0 0 304.412 0.484 10 0 DCAERN CC(C)[C@H](O)C(=O)N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000366236054 397354937 /nfs/dbraw/zinc/35/49/37/397354937.db2.gz HVHIHWSYPMYJMW-JTQLQIEISA-N 0 0 306.288 0.742 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)[nH]1 ZINC000408466611 397357545 /nfs/dbraw/zinc/35/75/45/397357545.db2.gz JIWHCAWUSUYSRJ-NSHDSACASA-N 0 0 320.397 0.971 10 0 DCAERN NC(=O)c1cnn2c1C[C@H](CNC(=O)N1CCC13CCC3)CC2 ZINC000577788307 397361645 /nfs/dbraw/zinc/36/16/45/397361645.db2.gz JNVMKDIBRNTHTA-LLVKDONJSA-N 0 0 317.393 0.882 10 0 DCAERN c1cnn([C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)c1 ZINC000365831749 397322744 /nfs/dbraw/zinc/32/27/44/397322744.db2.gz LOEYGUSMXNLOGC-ZDUSSCGKSA-N 0 0 300.366 0.961 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404112581 397326890 /nfs/dbraw/zinc/32/68/90/397326890.db2.gz FBALCAFWSWEFCH-CHWSQXEVSA-N 0 0 300.355 0.577 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)CN1C(=O)Cc2ccccc21 ZINC000614454648 397441856 /nfs/dbraw/zinc/44/18/56/397441856.db2.gz IJGGGVZUFUOZJM-PWSUYJOCSA-N 0 0 301.346 0.359 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCOC[C@@H]2c2ccnn2C)C1 ZINC000621578102 397400394 /nfs/dbraw/zinc/40/03/94/397400394.db2.gz ZSZTXKOBTZGXGE-TZMCWYRMSA-N 0 0 321.381 0.124 10 0 DCAERN C[C@H]1CCOCCN1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000367646264 397406467 /nfs/dbraw/zinc/40/64/67/397406467.db2.gz QNURKYGGKDKHKN-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN O=C(NCCOCC1CCC1)N1CCC[C@@H](OCCO)C1 ZINC000578284517 397415235 /nfs/dbraw/zinc/41/52/35/397415235.db2.gz RTGUUQCTEBEBSW-CQSZACIVSA-N 0 0 300.399 0.986 10 0 DCAERN CCCSCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000487124471 397466708 /nfs/dbraw/zinc/46/67/08/397466708.db2.gz ZWCLUKMBXWOEKP-NXEZZACHSA-N 0 0 304.412 0.702 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCSC1 ZINC000487128289 397467061 /nfs/dbraw/zinc/46/70/61/397467061.db2.gz DXBICPJWHOZGPE-UTLUCORTSA-N 0 0 302.396 0.312 10 0 DCAERN CN(C[C@H](O)CO)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489525815 397497055 /nfs/dbraw/zinc/49/70/55/397497055.db2.gz DNEXCTNJQAVTFP-LBPRGKRZSA-N 0 0 305.334 0.355 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000370510469 397496212 /nfs/dbraw/zinc/49/62/12/397496212.db2.gz ZOVIXVZNDRZVLF-YNEHKIRRSA-N 0 0 305.378 0.970 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000578795234 397486400 /nfs/dbraw/zinc/48/64/00/397486400.db2.gz YCPHUAJLXMTDMK-TUUUFIMRSA-N 0 0 300.424 0.963 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@@H]1SCCc2ccccc21 ZINC000579246582 397542955 /nfs/dbraw/zinc/54/29/55/397542955.db2.gz SXPXSNBBFOXHGT-AWEZNQCLSA-N 0 0 320.414 0.992 10 0 DCAERN O=C(C[C@H](O)Cc1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000579905558 397597013 /nfs/dbraw/zinc/59/70/13/397597013.db2.gz LWMUTOKVFPZXOW-OAHLLOKOSA-N 0 0 302.374 0.813 10 0 DCAERN CN(Cc1cnccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000605167713 397661376 /nfs/dbraw/zinc/66/13/76/397661376.db2.gz PENDXDMHBLPGGS-UHFFFAOYSA-N 0 0 321.362 0.788 10 0 DCAERN C[C@H]1CC[C@H](CCC(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000608360160 397726540 /nfs/dbraw/zinc/72/65/40/397726540.db2.gz BYYSWIHUKQPKQH-QWHCGFSZSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1nnc(CN2CCN(Cc3noc(C(C)C)n3)CC2)[nH]1 ZINC000605422273 397664335 /nfs/dbraw/zinc/66/43/35/397664335.db2.gz SWBGYAYRUGFPSY-UHFFFAOYSA-N 0 0 305.386 0.937 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CC[C@H](CN2CCOCC2)C1 ZINC000607928295 397707354 /nfs/dbraw/zinc/70/73/54/397707354.db2.gz PRNDJEQHZUFGBX-CYBMUJFWSA-N 0 0 315.377 0.524 10 0 DCAERN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CC1(C)C ZINC000608648007 397743159 /nfs/dbraw/zinc/74/31/59/397743159.db2.gz VSAYKAQDGNKCMH-RBSFLKMASA-N 0 0 324.469 0.831 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000367616255 296589271 /nfs/dbraw/zinc/58/92/71/296589271.db2.gz FWIZBEZBLWCEPI-ZJUUUORDSA-N 0 0 323.315 0.970 10 0 DCAERN COCC(=O)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2C ZINC000096261825 292178367 /nfs/dbraw/zinc/17/83/67/292178367.db2.gz FYUWOGRXALPYMH-AWEZNQCLSA-N 0 0 310.375 0.395 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2cccc3c2OCCCO3)C1 ZINC000284455154 286089873 /nfs/dbraw/zinc/08/98/73/286089873.db2.gz BXAFTZORBRGGNL-STQMWFEESA-N 0 0 306.362 0.923 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ncnn2C)C12CCOCC2 ZINC000184552560 286269904 /nfs/dbraw/zinc/26/99/04/286269904.db2.gz BFWNFLRTMBTSRL-GHMZBOCLSA-N 0 0 309.370 0.911 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091779005 286316920 /nfs/dbraw/zinc/31/69/20/286316920.db2.gz GEJKDRVVYOBXDR-LLVKDONJSA-N 0 0 312.753 0.604 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000175162738 296687884 /nfs/dbraw/zinc/68/78/84/296687884.db2.gz JNRNKMULFUBEBW-MNOVXSKESA-N 0 0 303.428 0.549 10 0 DCAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000372970145 286516088 /nfs/dbraw/zinc/51/60/88/286516088.db2.gz QSRGUXZLHNCWRA-CRWXNKLISA-N 0 0 312.410 0.630 10 0 DCAERN COCCCS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000173894332 292367295 /nfs/dbraw/zinc/36/72/95/292367295.db2.gz AFOBDGDQSKNFQE-AWEZNQCLSA-N 0 0 320.455 0.539 10 0 DCAERN Cc1ccc2c(c1O)N[C@H](O)[C@@H]1CC(/C=C/C(N)=O)=CN1C2=O ZINC000005782167 292377473 /nfs/dbraw/zinc/37/74/73/292377473.db2.gz VGQOVCHZGQWAOI-YQRHFANHSA-N 0 0 315.329 0.584 10 0 in-man DCAERN Cc1ccc(N2C[C@H](C(=O)NCCCC(N)=O)CC2=O)cc1 ZINC000042927792 157996170 /nfs/dbraw/zinc/99/61/70/157996170.db2.gz WGEFQLCBCNGIRY-GFCCVEGCSA-N 0 0 303.362 0.730 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000046801058 158001581 /nfs/dbraw/zinc/00/15/81/158001581.db2.gz OZNUSSXAINEGKN-AXFHLTTASA-N 0 0 316.427 0.733 10 0 DCAERN Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H](C)C2CC2)c1 ZINC000049084058 158009420 /nfs/dbraw/zinc/00/94/20/158009420.db2.gz XSZMAQNFYOISHD-VIFPVBQESA-N 0 0 314.349 0.824 10 0 DCAERN C[C@H](NC(=O)[C@H](C)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000051131626 158013530 /nfs/dbraw/zinc/01/35/30/158013530.db2.gz OTASNRLTKJJSTP-OBJOEFQTSA-N 0 0 305.378 0.438 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc[nH]c1=O ZINC000067315335 158038814 /nfs/dbraw/zinc/03/88/14/158038814.db2.gz CQOLAZLPWUAMNI-CQSZACIVSA-N 0 0 313.357 0.804 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000068533479 158042956 /nfs/dbraw/zinc/04/29/56/158042956.db2.gz XPCUNLBCDUSGBM-ZDUSSCGKSA-N 0 0 303.362 0.824 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000068521455 158043367 /nfs/dbraw/zinc/04/33/67/158043367.db2.gz GYRXJZRRNXVFEH-VXGBXAGGSA-N 0 0 300.403 0.050 10 0 DCAERN C[C@@H](CNC(=O)[C@H](C)OC[C@@H]1CCCO1)N1CCOCC1 ZINC000068856194 158043804 /nfs/dbraw/zinc/04/38/04/158043804.db2.gz GNJHMXJNVZCIGA-IHRRRGAJSA-N 0 0 300.399 0.407 10 0 DCAERN CC(C)[C@H](C)NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000073384977 158055490 /nfs/dbraw/zinc/05/54/90/158055490.db2.gz IKRFHNVRPCFAJO-AWEZNQCLSA-N 0 0 310.442 0.981 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000074002865 158056772 /nfs/dbraw/zinc/05/67/72/158056772.db2.gz OCJVGQAOEFTPKC-XHDPSFHLSA-N 0 0 308.426 0.805 10 0 DCAERN COc1ccc2nc(NC(=O)C[C@H]3NC(=O)NC3=O)sc2c1 ZINC000074728872 158059967 /nfs/dbraw/zinc/05/99/67/158059967.db2.gz FCWGHRMIZVMMHU-MRVPVSSYSA-N 0 0 320.330 0.842 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169912 158068120 /nfs/dbraw/zinc/06/81/20/158068120.db2.gz AOUMGAFGJJUPHP-KOLCDFICSA-N 0 0 307.402 0.181 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCCCc2c[nH]nc2C)C1 ZINC000079129615 158077977 /nfs/dbraw/zinc/07/79/77/158077977.db2.gz DKGVYXDZOSZJHX-AWEZNQCLSA-N 0 0 307.398 0.961 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000084273886 158089137 /nfs/dbraw/zinc/08/91/37/158089137.db2.gz RGQNOFHSRBMNNZ-CQSZACIVSA-N 0 0 307.394 0.947 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088250604 158093083 /nfs/dbraw/zinc/09/30/83/158093083.db2.gz DQWFIDUHCSERSC-JTQLQIEISA-N 0 0 309.316 0.938 10 0 DCAERN CC(C)NC(=O)CCN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088594984 158095125 /nfs/dbraw/zinc/09/51/25/158095125.db2.gz ZDGDITLNBAIVSB-HNNXBMFYSA-N 0 0 324.469 0.530 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)[C@@H](C)COC ZINC000088787125 158095763 /nfs/dbraw/zinc/09/57/63/158095763.db2.gz NASMHUBRVYPDOR-UWVGGRQHSA-N 0 0 302.400 0.630 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089757653 158099975 /nfs/dbraw/zinc/09/99/75/158099975.db2.gz YMNHFKROHHNZCY-WCQYABFASA-N 0 0 313.361 0.993 10 0 DCAERN Cn1c(CO)cnc1SCCn1nc2ccccn2c1=O ZINC000090243958 158103915 /nfs/dbraw/zinc/10/39/15/158103915.db2.gz SNRRJWJZYMFDFY-UHFFFAOYSA-N 0 0 305.363 0.514 10 0 DCAERN COCc1cc(NC(=O)C(=O)N2CCC3(CCC3)C2)ncn1 ZINC000091247860 158107896 /nfs/dbraw/zinc/10/78/96/158107896.db2.gz FMUQJUNCOGKZIS-UHFFFAOYSA-N 0 0 304.350 0.964 10 0 DCAERN COCCN1CCN(CC(=O)Nc2ccccc2F)CC1=O ZINC000091833999 158110730 /nfs/dbraw/zinc/11/07/30/158110730.db2.gz SOSBXWKMQNWMHS-UHFFFAOYSA-N 0 0 309.341 0.555 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H]2c2nncn2C)c(=O)[nH]c1C ZINC000092253326 158112466 /nfs/dbraw/zinc/11/24/66/158112466.db2.gz FCFWXGVTTAFGEN-JTQLQIEISA-N 0 0 302.338 0.493 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000092229494 158112739 /nfs/dbraw/zinc/11/27/39/158112739.db2.gz UKJKYPKRPWZQEY-CQSZACIVSA-N 0 0 317.389 0.021 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C=O)cc2)C1 ZINC000092772343 158114990 /nfs/dbraw/zinc/11/49/90/158114990.db2.gz WSCAIPCLRRWFDZ-CYBMUJFWSA-N 0 0 310.375 0.653 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000093168516 158118420 /nfs/dbraw/zinc/11/84/20/158118420.db2.gz IVYFFTJHXPCXIV-AWEZNQCLSA-N 0 0 310.442 0.093 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798519 158129625 /nfs/dbraw/zinc/12/96/25/158129625.db2.gz WDWBSWSAUKVLGW-ZDUSSCGKSA-N 0 0 324.356 0.394 10 0 DCAERN O=C(CN1CCC(Nc2cccnn2)CC1)N1CCOCC1 ZINC000105804634 158130252 /nfs/dbraw/zinc/13/02/52/158130252.db2.gz LXLPXILCHQWLNA-UHFFFAOYSA-N 0 0 305.382 0.212 10 0 DCAERN CC[C@H](C(N)=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867694 158130349 /nfs/dbraw/zinc/13/03/49/158130349.db2.gz HVLWTCMSAAQSCC-GFCCVEGCSA-N 0 0 307.398 0.719 10 0 DCAERN CCN1C[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110956116 158138872 /nfs/dbraw/zinc/13/88/72/158138872.db2.gz PBEZDXHWKDEONL-CABCVRRESA-N 0 0 323.437 0.568 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112744025 158144083 /nfs/dbraw/zinc/14/40/83/158144083.db2.gz PRGCWFKTCXJKRR-LBPRGKRZSA-N 0 0 322.413 0.541 10 0 DCAERN Cc1nn(C)cc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000113173644 158145099 /nfs/dbraw/zinc/14/50/99/158145099.db2.gz XHFAQDIASVCYBQ-UHFFFAOYSA-N 0 0 300.366 0.871 10 0 DCAERN COc1ccccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000113298749 158146395 /nfs/dbraw/zinc/14/63/95/158146395.db2.gz SFEIWGQCSSCVRW-JTQLQIEISA-N 0 0 308.363 0.580 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1cc(Cl)ccn1)c2=O ZINC000114122419 158150367 /nfs/dbraw/zinc/15/03/67/158150367.db2.gz ITEXFWPVODTRET-UHFFFAOYSA-N 0 0 318.724 0.817 10 0 DCAERN CC(C)NC(=O)CCCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114856855 158157748 /nfs/dbraw/zinc/15/77/48/158157748.db2.gz VJTPEQOGLYBVBB-AWEZNQCLSA-N 0 0 311.426 0.661 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CC2 ZINC000114864677 158159037 /nfs/dbraw/zinc/15/90/37/158159037.db2.gz XIYFWCGNIDFSKF-MNOVXSKESA-N 0 0 320.397 0.062 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC)C1)CC2 ZINC000114869954 158159046 /nfs/dbraw/zinc/15/90/46/158159046.db2.gz ZJLNKONJEBHWKN-MNOVXSKESA-N 0 0 305.382 0.140 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(C)no1)CC2 ZINC000114948707 158160201 /nfs/dbraw/zinc/16/02/01/158160201.db2.gz BBOHOYHTYJJQPF-JTQLQIEISA-N 0 0 304.354 0.951 10 0 DCAERN CCOC(=O)CCCNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114931481 158160494 /nfs/dbraw/zinc/16/04/94/158160494.db2.gz HZUIDDGELPWWFW-NSHDSACASA-N 0 0 323.397 0.798 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)cn1 ZINC000116229187 158164155 /nfs/dbraw/zinc/16/41/55/158164155.db2.gz UEOXNHQSFIYYRU-RYUDHWBXSA-N 0 0 305.382 0.527 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116417248 158166150 /nfs/dbraw/zinc/16/61/50/158166150.db2.gz KNOYTENSEOXIBM-JTQLQIEISA-N 0 0 301.368 0.675 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116311630 158166428 /nfs/dbraw/zinc/16/64/28/158166428.db2.gz PKDIRZPQVNLERJ-GFCCVEGCSA-N 0 0 308.382 0.231 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C ZINC000117397423 158171355 /nfs/dbraw/zinc/17/13/55/158171355.db2.gz ZBJFBTWRTBMQTJ-CYBMUJFWSA-N 0 0 322.409 0.960 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117642481 158172095 /nfs/dbraw/zinc/17/20/95/158172095.db2.gz BYYKSOGHUBUJQI-GXFFZTMASA-N 0 0 312.391 0.607 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c(C)c1 ZINC000118115470 158175847 /nfs/dbraw/zinc/17/58/47/158175847.db2.gz ADOPCYPCGCUWGH-ZDUSSCGKSA-N 0 0 305.378 0.689 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cnn1C ZINC000118673393 158177646 /nfs/dbraw/zinc/17/76/46/158177646.db2.gz LAIBPRFOKMKQID-GFCCVEGCSA-N 0 0 300.366 0.917 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1ccc(F)cc1 ZINC000118755472 158178845 /nfs/dbraw/zinc/17/88/45/158178845.db2.gz CZIZHDOSHURXEL-UHFFFAOYSA-N 0 0 307.325 0.815 10 0 DCAERN CC(C)OCCN1CCN(C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000119544732 158189405 /nfs/dbraw/zinc/18/94/05/158189405.db2.gz LNFCAHUMGGKPCL-CQSZACIVSA-N 0 0 306.472 0.710 10 0 DCAERN COCCCCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000120023118 158192624 /nfs/dbraw/zinc/19/26/24/158192624.db2.gz SDXXEOMMRMITAS-UHFFFAOYSA-N 0 0 300.380 0.881 10 0 DCAERN COCCCCC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120064686 158193773 /nfs/dbraw/zinc/19/37/73/158193773.db2.gz WUTQDMHASHPTLH-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120802542 158203903 /nfs/dbraw/zinc/20/39/03/158203903.db2.gz JYDYDRLKHOIWOE-LLVKDONJSA-N 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YJQRHHRGIHEEIB-OLZOCXBDSA-N 0 0 319.409 0.967 10 0 DCAERN CCC1(CO)CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000122555576 158221668 /nfs/dbraw/zinc/22/16/68/158221668.db2.gz VZHRQDNNJOTEER-BETUJISGSA-N 0 0 320.455 0.825 10 0 DCAERN NC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cn1 ZINC000122647024 158223186 /nfs/dbraw/zinc/22/31/86/158223186.db2.gz XBDDPVGIUBJPPG-UHFFFAOYSA-N 0 0 323.312 0.529 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCS2)C1 ZINC000122634868 158223305 /nfs/dbraw/zinc/22/33/05/158223305.db2.gz OOLOSECRSVCOAD-MNOVXSKESA-N 0 0 306.453 0.811 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccnn1C ZINC000123051530 158225834 /nfs/dbraw/zinc/22/58/34/158225834.db2.gz LWPSTHQMHBTCEF-JTQLQIEISA-N 0 0 300.384 0.563 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000123336641 158229604 /nfs/dbraw/zinc/22/96/04/158229604.db2.gz NBOAYSBFJGFINF-NEPJUHHUSA-N 0 0 305.382 0.574 10 0 DCAERN CCCCN(C)S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000123611059 158232025 /nfs/dbraw/zinc/23/20/25/158232025.db2.gz ULGGNQZPPSXGCU-ZDUSSCGKSA-N 0 0 305.444 0.416 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)NCCCN1CCCC1=O ZINC000123596313 158232137 /nfs/dbraw/zinc/23/21/37/158232137.db2.gz XQLRRGAKRPKMTE-UHFFFAOYSA-N 0 0 307.398 0.962 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(C(F)(F)F)cn1 ZINC000123687532 158233326 /nfs/dbraw/zinc/23/33/26/158233326.db2.gz UWSDPPARVBJKMF-QMMMGPOBSA-N 0 0 301.224 0.635 10 0 DCAERN CC[C@H](CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000123910431 158235338 /nfs/dbraw/zinc/23/53/38/158235338.db2.gz MXNASHRARMCRIY-MRXNPFEDSA-N 0 0 305.422 0.691 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCN(C3CC3)CC2)CCCC1 ZINC000124675360 158245238 /nfs/dbraw/zinc/24/52/38/158245238.db2.gz DUOBWWNDSLVKNP-UHFFFAOYSA-N 0 0 308.426 0.925 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000124908783 158249383 /nfs/dbraw/zinc/24/93/83/158249383.db2.gz ZGSUMHWPXXIIBB-JSGCOSHPSA-N 0 0 309.366 0.693 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125346051 158253729 /nfs/dbraw/zinc/25/37/29/158253729.db2.gz YOCJPOSBQNNRPR-CYBMUJFWSA-N 0 0 320.393 0.611 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000126185600 158263555 /nfs/dbraw/zinc/26/35/55/158263555.db2.gz CLEMWTMQOPPOBX-AWEZNQCLSA-N 0 0 319.409 0.912 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000126185390 158263798 /nfs/dbraw/zinc/26/37/98/158263798.db2.gz CLEMWTMQOPPOBX-CQSZACIVSA-N 0 0 319.409 0.912 10 0 DCAERN O=C1CCC(=O)N1CCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126580674 158266130 /nfs/dbraw/zinc/26/61/30/158266130.db2.gz MESRPYLBHIKRRU-AWEZNQCLSA-N 0 0 304.346 0.915 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000126712126 158268123 /nfs/dbraw/zinc/26/81/23/158268123.db2.gz DPGUVYXBJSQKJK-VHSXEESVSA-N 0 0 316.379 0.337 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@@H](c2cccs2)C1 ZINC000127937997 158277595 /nfs/dbraw/zinc/27/75/95/158277595.db2.gz IIHAVXCWAHERSJ-LLVKDONJSA-N 0 0 318.420 0.698 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000128635247 158282759 /nfs/dbraw/zinc/28/27/59/158282759.db2.gz NWVVDUNJHCIVHJ-CYBMUJFWSA-N 0 0 324.425 0.507 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCS(=O)CC1 ZINC000129097891 158285738 /nfs/dbraw/zinc/28/57/38/158285738.db2.gz QCLLRJSZDKETGJ-NSHDSACASA-N 0 0 303.428 0.455 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)C(=O)NC)CC2 ZINC000129332514 158287255 /nfs/dbraw/zinc/28/72/55/158287255.db2.gz IHZIFMRXZICRDO-SNVBAGLBSA-N 0 0 322.413 0.227 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000129592066 158290129 /nfs/dbraw/zinc/29/01/29/158290129.db2.gz FMRQPLVTQOLRNA-UHFFFAOYSA-N 0 0 324.381 0.701 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000130229545 158293848 /nfs/dbraw/zinc/29/38/48/158293848.db2.gz YYDRBCQLJAYORA-UHFFFAOYSA-N 0 0 303.362 0.416 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000130537504 158295705 /nfs/dbraw/zinc/29/57/05/158295705.db2.gz XYGMYHKMTKDKNX-UTUOFQBUSA-N 0 0 304.412 0.484 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000131660463 158304522 /nfs/dbraw/zinc/30/45/22/158304522.db2.gz DUKQECFBPPOJDY-ZYHUDNBSSA-N 0 0 306.366 0.645 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000132817765 158314502 /nfs/dbraw/zinc/31/45/02/158314502.db2.gz DPOUIPJBGBQCMH-SCVCMEIPSA-N 0 0 312.391 0.936 10 0 DCAERN C[C@@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)[S@](C)=O ZINC000132919782 158315826 /nfs/dbraw/zinc/31/58/26/158315826.db2.gz SBQZXXVEEWQJPS-ULCDLSAGSA-N 0 0 324.449 0.282 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc(-n2cncn2)c1 ZINC000133318212 158318352 /nfs/dbraw/zinc/31/83/52/158318352.db2.gz ORURBTDEPWRRME-LLVKDONJSA-N 0 0 322.390 0.820 10 0 DCAERN Cc1ccoc1C(=O)NCCCNc1cncc(OCCO)n1 ZINC000133405924 158319222 /nfs/dbraw/zinc/31/92/22/158319222.db2.gz YQMFDRACRDPXTP-UHFFFAOYSA-N 0 0 320.349 0.981 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000133668163 158320633 /nfs/dbraw/zinc/32/06/33/158320633.db2.gz DAYGQUGJJXGFIR-NSHDSACASA-N 0 0 321.425 0.995 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H]2OCCC[C@@H]2C1)NCC(F)(F)F ZINC000133753032 158321785 /nfs/dbraw/zinc/32/17/85/158321785.db2.gz AJHYJDVIEMHVEG-ZJUUUORDSA-N 0 0 323.315 0.875 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C[C@@H](C)O1 ZINC000133880843 158322948 /nfs/dbraw/zinc/32/29/48/158322948.db2.gz LUZBCBFXKJJMQP-IJLUTSLNSA-N 0 0 315.395 0.642 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCCC2(C1)OCCO2 ZINC000133988536 158323627 /nfs/dbraw/zinc/32/36/27/158323627.db2.gz WRFPWPLBEIRJAS-NSHDSACASA-N 0 0 307.354 0.141 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)NCc1cccnc1N(C)C ZINC000134703650 158329449 /nfs/dbraw/zinc/32/94/49/158329449.db2.gz UBGVQUQQXDCQDA-OCCSQVGLSA-N 0 0 322.409 0.829 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000134819489 158331444 /nfs/dbraw/zinc/33/14/44/158331444.db2.gz XGQJTZZMWMJLTA-BXUZGUMPSA-N 0 0 324.425 0.761 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@@H](C(N)=O)C(C)C)n1 ZINC000135018455 158332472 /nfs/dbraw/zinc/33/24/72/158332472.db2.gz ZTZFJHGHHVJABO-LLVKDONJSA-N 0 0 311.386 0.935 10 0 DCAERN Nc1ccnc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135164559 158334316 /nfs/dbraw/zinc/33/43/16/158334316.db2.gz JSIMJQOOTQJDBO-LLVKDONJSA-N 0 0 311.411 0.059 10 0 DCAERN O=C(CN1CCCC1=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135227333 158335392 /nfs/dbraw/zinc/33/53/92/158335392.db2.gz GTHLGAOIIWHNTC-CQSZACIVSA-N 0 0 304.346 0.915 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)CC[C@@H]1CCOC1)CC2 ZINC000135195115 158335405 /nfs/dbraw/zinc/33/54/05/158335405.db2.gz FIWGSVSWNMOZSK-NEPJUHHUSA-N 0 0 308.382 0.672 10 0 DCAERN CCCNC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730813 158340303 /nfs/dbraw/zinc/34/03/03/158340303.db2.gz CUZDAMJNGYXVFZ-LBPRGKRZSA-N 0 0 303.428 0.013 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cnn(C)c3C)CCO2)[nH]1 ZINC000136434558 158342613 /nfs/dbraw/zinc/34/26/13/158342613.db2.gz DKBYYKXFWXEPSO-ZDUSSCGKSA-N 0 0 318.381 0.688 10 0 DCAERN Cc1c(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cnn1C ZINC000136546278 158343108 /nfs/dbraw/zinc/34/31/08/158343108.db2.gz UGEXPZUJKRGQHM-BBRMVZONSA-N 0 0 320.437 0.840 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CO)ncn1 ZINC000152456721 158348777 /nfs/dbraw/zinc/34/87/77/158348777.db2.gz XRIBONYLBXURSZ-QWRGUYRKSA-N 0 0 308.386 0.167 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000152669421 158349685 /nfs/dbraw/zinc/34/96/85/158349685.db2.gz OJHGLJAITJLPGO-QWRGUYRKSA-N 0 0 306.366 0.859 10 0 DCAERN COCCn1ccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000163077188 158361403 /nfs/dbraw/zinc/36/14/03/158361403.db2.gz LVHIYJRTGNMDJE-MNOVXSKESA-N 0 0 309.370 0.695 10 0 DCAERN CC(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000162975448 158362092 /nfs/dbraw/zinc/36/20/92/158362092.db2.gz BDFTZFZAZDQFLW-KFWWJZLASA-N 0 0 312.458 0.735 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1C ZINC000166711919 158366991 /nfs/dbraw/zinc/36/69/91/158366991.db2.gz SZCCYTSBYKWLRQ-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000167583469 158369410 /nfs/dbraw/zinc/36/94/10/158369410.db2.gz VMMHWHWGMYRZRH-DGCLKSJQSA-N 0 0 314.407 0.964 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000168231377 158371475 /nfs/dbraw/zinc/37/14/75/158371475.db2.gz DURCVLCVLRBYNH-PWSUYJOCSA-N 0 0 312.391 0.438 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000170193860 158373622 /nfs/dbraw/zinc/37/36/22/158373622.db2.gz TVJHEEHXNJFCNC-LBPRGKRZSA-N 0 0 302.330 0.654 10 0 DCAERN COCCn1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000170704785 158375468 /nfs/dbraw/zinc/37/54/68/158375468.db2.gz CVSSTYIJGWYXJB-MNOVXSKESA-N 0 0 309.370 0.647 10 0 DCAERN CCNC(=O)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000170750312 158375799 /nfs/dbraw/zinc/37/57/99/158375799.db2.gz GGZWBADZIATVOI-UHFFFAOYSA-N 0 0 318.421 0.057 10 0 DCAERN CCc1nccn1[C@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000171614934 158384445 /nfs/dbraw/zinc/38/44/45/158384445.db2.gz MPGNNQLTHBIVPN-LBPRGKRZSA-N 0 0 300.428 0.761 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171913595 158388386 /nfs/dbraw/zinc/38/83/86/158388386.db2.gz ZTQPXTOBMRCRSH-VIFPVBQESA-N 0 0 309.332 0.996 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172091929 158390070 /nfs/dbraw/zinc/39/00/70/158390070.db2.gz SNMDYWJOEWWWDG-NXEZZACHSA-N 0 0 317.436 0.787 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000172081369 158390307 /nfs/dbraw/zinc/39/03/07/158390307.db2.gz FSTJJOZPFBCNTN-ZDUSSCGKSA-N 0 0 323.397 0.880 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000172255487 158392147 /nfs/dbraw/zinc/39/21/47/158392147.db2.gz WJUHNLHEJUXWJX-LBPRGKRZSA-N 0 0 319.409 0.674 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172248767 158392209 /nfs/dbraw/zinc/39/22/09/158392209.db2.gz GIBIUCJJXROFHC-NWDGAFQWSA-N 0 0 307.460 0.695 10 0 DCAERN C[C@H](CNC(=O)CNC(=O)c1ccccn1)Cn1cccn1 ZINC000172515835 158395120 /nfs/dbraw/zinc/39/51/20/158395120.db2.gz KYWVFGNBNYFGDD-GFCCVEGCSA-N 0 0 301.350 0.460 10 0 DCAERN CN1CCO[C@@H](C(=O)NCCOc2ccc(F)cc2F)C1 ZINC000172786307 158399399 /nfs/dbraw/zinc/39/93/99/158399399.db2.gz UABWTQOTHFTFAY-CYBMUJFWSA-N 0 0 300.305 0.790 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000173456013 158406346 /nfs/dbraw/zinc/40/63/46/158406346.db2.gz RVHJYNISNQMFOH-GXFFZTMASA-N 0 0 306.410 0.953 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N(C)CC(F)(F)F)CCO2)[nH]1 ZINC000173659349 158408908 /nfs/dbraw/zinc/40/89/08/158408908.db2.gz JFNSMQLOXRYINM-VIFPVBQESA-N 0 0 321.303 0.507 10 0 DCAERN C(c1noc(C2CCOCC2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000173948735 158413554 /nfs/dbraw/zinc/41/35/54/158413554.db2.gz MFZAQUQAHJKGRU-AWEZNQCLSA-N 0 0 322.409 0.870 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C)(O)CC1)CC2 ZINC000177516756 158446854 /nfs/dbraw/zinc/44/68/54/158446854.db2.gz OIPDOCVDVQGGKF-LLVKDONJSA-N 0 0 307.398 0.712 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000177932873 158451739 /nfs/dbraw/zinc/45/17/39/158451739.db2.gz FKEWNOGYBWVDGY-DGCLKSJQSA-N 0 0 306.366 0.721 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N[C@H](C(=O)NC)C(C)C)CC1=O ZINC000178692303 158461308 /nfs/dbraw/zinc/46/13/08/158461308.db2.gz FQSJGQKIKWWZJS-FZMZJTMJSA-N 0 0 311.426 0.910 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(C)C ZINC000178683741 158461648 /nfs/dbraw/zinc/46/16/48/158461648.db2.gz VQZSBTWRDKYQHJ-GFCCVEGCSA-N 0 0 303.366 0.777 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(C)C ZINC000178726058 158463281 /nfs/dbraw/zinc/46/32/81/158463281.db2.gz LADZKXNVOSWVGK-ZDUSSCGKSA-N 0 0 305.378 0.754 10 0 DCAERN CC(C)c1noc2ncc(C(=O)N3CCOC[C@@H]3C(N)=O)cc21 ZINC000180217126 158476971 /nfs/dbraw/zinc/47/69/71/158476971.db2.gz PTMPWOPPUYYOAX-LLVKDONJSA-N 0 0 318.333 0.673 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181370666 158484771 /nfs/dbraw/zinc/48/47/71/158484771.db2.gz MQZPXQQOHRWQON-CYBMUJFWSA-N 0 0 307.398 0.199 10 0 DCAERN CCCN(CCO)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182555032 158493290 /nfs/dbraw/zinc/49/32/90/158493290.db2.gz JTSFBQGVTDIGJK-CQSZACIVSA-N 0 0 320.393 0.991 10 0 DCAERN COC(=O)c1ccc(F)c(Cn2nc(C(N)=O)ccc2=O)c1 ZINC000182747177 158493650 /nfs/dbraw/zinc/49/36/50/158493650.db2.gz OWVLIMHDFOPPFV-UHFFFAOYSA-N 0 0 305.265 0.316 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)NC1(CO)CCC1 ZINC000185311274 158518736 /nfs/dbraw/zinc/51/87/36/158518736.db2.gz STVBRDCLHUXOKT-UHFFFAOYSA-N 0 0 305.382 0.660 10 0 DCAERN CCN1C[C@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186394406 158531139 /nfs/dbraw/zinc/53/11/39/158531139.db2.gz RAOWCCKJXPKCQN-CQSZACIVSA-N 0 0 316.405 0.989 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CC(NC(=O)C3CC3)C2)cc1 ZINC000187979664 158541696 /nfs/dbraw/zinc/54/16/96/158541696.db2.gz UYGUJZDFPWZNKW-HNNXBMFYSA-N 0 0 304.390 0.945 10 0 DCAERN C[C@@H](NC(=O)N1CC(CO)C1)c1cn(-c2ccccc2)nn1 ZINC000189586311 158553773 /nfs/dbraw/zinc/55/37/73/158553773.db2.gz SDAPXHZYLOVSHX-LLVKDONJSA-N 0 0 301.350 0.962 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189768152 158554872 /nfs/dbraw/zinc/55/48/72/158554872.db2.gz WYSDQPJUQWRVQY-CYBMUJFWSA-N 0 0 309.410 0.858 10 0 DCAERN Cc1cc(N2CCN(C(=O)CN3CCCCC3=O)CC2)n[nH]1 ZINC000189729338 158554994 /nfs/dbraw/zinc/55/49/94/158554994.db2.gz ADUXRYGRFLFJPA-UHFFFAOYSA-N 0 0 305.382 0.379 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCCN(C)C(=O)C3)nc2n1 ZINC000189757123 158555229 /nfs/dbraw/zinc/55/52/29/158555229.db2.gz YOQVQNHSQUKDCQ-UHFFFAOYSA-N 0 0 302.338 0.045 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)s1 ZINC000190860505 158563899 /nfs/dbraw/zinc/56/38/99/158563899.db2.gz QPFUENZJTLOKMJ-UHFFFAOYSA-N 0 0 324.406 0.725 10 0 DCAERN CCC[C@H](C)CS(=O)(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191393690 158567984 /nfs/dbraw/zinc/56/79/84/158567984.db2.gz DZDOYXLQRLVOIO-ZDUSSCGKSA-N 0 0 320.455 0.933 10 0 DCAERN CC(C)=CCNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000192260673 158574320 /nfs/dbraw/zinc/57/43/20/158574320.db2.gz ACTXGVOFTAPOPI-UHFFFAOYSA-N 0 0 300.322 0.683 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000192930635 158579397 /nfs/dbraw/zinc/57/93/97/158579397.db2.gz PWJUUPNEKYIIKD-AAEUAGOBSA-N 0 0 300.380 0.899 10 0 DCAERN CCc1nnc(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)n1C ZINC000195200116 158607617 /nfs/dbraw/zinc/60/76/17/158607617.db2.gz IQUIBOGZKFOQBQ-UHFFFAOYSA-N 0 0 303.366 0.988 10 0 DCAERN O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccon1 ZINC000238941612 158644823 /nfs/dbraw/zinc/64/48/23/158644823.db2.gz WARKDBNWYKYETD-UHFFFAOYSA-N 0 0 301.302 0.259 10 0 DCAERN C[C@H](c1ccc(F)c(F)c1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000247969184 158686593 /nfs/dbraw/zinc/68/65/93/158686593.db2.gz HCXUFSHGTMPIQJ-KOLCDFICSA-N 0 0 309.316 0.668 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000248486159 158692943 /nfs/dbraw/zinc/69/29/43/158692943.db2.gz KZXSQKOZEIZTES-JSKPFOEOSA-N 0 0 310.419 0.887 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000248729392 158696801 /nfs/dbraw/zinc/69/68/01/158696801.db2.gz FBKPKDMLJUNPHX-RWMBFGLXSA-N 0 0 324.425 0.696 10 0 DCAERN CN1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c2ccccc21 ZINC000249083790 158701798 /nfs/dbraw/zinc/70/17/98/158701798.db2.gz ICCLCHYMPPFEQW-BYCMXARLSA-N 0 0 317.389 0.759 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000276391476 158927717 /nfs/dbraw/zinc/92/77/17/158927717.db2.gz YAUCZKLVAKCDPW-GFCCVEGCSA-N 0 0 318.782 0.259 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1coc(C(N)=O)c1 ZINC000276412672 158931232 /nfs/dbraw/zinc/93/12/32/158931232.db2.gz PKQKPKHPNGXHRF-UISBYWKRSA-N 0 0 306.318 0.792 10 0 DCAERN COCC[C@@H](COC)Nc1nc(C)c(S(N)(=O)=O)s1 ZINC000311785118 158994923 /nfs/dbraw/zinc/99/49/23/158994923.db2.gz IIGLJTBEBYOHMR-QMMMGPOBSA-N 0 0 309.413 0.562 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000316411854 159002897 /nfs/dbraw/zinc/00/28/97/159002897.db2.gz NKVBDQKJKNAUKX-RYUDHWBXSA-N 0 0 308.378 0.799 10 0 DCAERN CC(C)c1cccc(OCC(=O)N2CC[C@](O)(C(N)=O)C2)c1 ZINC000319139567 159007404 /nfs/dbraw/zinc/00/74/04/159007404.db2.gz XLJVEZVZLBQCKG-MRXNPFEDSA-N 0 0 306.362 0.638 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000319358770 159007944 /nfs/dbraw/zinc/00/79/44/159007944.db2.gz VBZVUTXFOWECRU-FPMFFAJLSA-N 0 0 310.394 0.386 10 0 DCAERN COc1ccnc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328618114 159015537 /nfs/dbraw/zinc/01/55/37/159015537.db2.gz UUTYKKLIKFGGAV-ZDUSSCGKSA-N 0 0 317.393 0.371 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCN[C@@H](c3cccnc3)C2)CC1=O ZINC000328636331 159016730 /nfs/dbraw/zinc/01/67/30/159016730.db2.gz AGEITGREZQRHJA-TZMCWYRMSA-N 0 0 302.378 0.423 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328648621 159017608 /nfs/dbraw/zinc/01/76/08/159017608.db2.gz AJYUJEOOCOMPQF-OAHLLOKOSA-N 0 0 316.405 0.957 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328662881 159018399 /nfs/dbraw/zinc/01/83/99/159018399.db2.gz XPNUFNDKOLMIQX-MNOVXSKESA-N 0 0 302.396 0.921 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328709452 159023188 /nfs/dbraw/zinc/02/31/88/159023188.db2.gz FXBSQKPWFDUEIT-LJISPDSOSA-N 0 0 304.346 0.785 10 0 DCAERN CCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C)CC1 ZINC000328731599 159025003 /nfs/dbraw/zinc/02/50/03/159025003.db2.gz WZTROKJRDZMISP-UHFFFAOYSA-N 0 0 306.414 0.583 10 0 DCAERN CC(C)N1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1=O ZINC000328731838 159025146 /nfs/dbraw/zinc/02/51/46/159025146.db2.gz GUSSUYIIJJOYMP-ZDUSSCGKSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@@H](CC(=O)N1CCn2cnnc2[C@H]1C)N1CCCCC1=O ZINC000328744526 159025386 /nfs/dbraw/zinc/02/53/86/159025386.db2.gz OAWYWIBUIHUBRY-NWDGAFQWSA-N 0 0 305.382 0.972 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000328736350 159025691 /nfs/dbraw/zinc/02/56/91/159025691.db2.gz ZKKWHGPTUJJAPN-CYBMUJFWSA-N 0 0 316.361 0.094 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328736351 159025856 /nfs/dbraw/zinc/02/58/56/159025856.db2.gz ZKKWHGPTUJJAPN-ZDUSSCGKSA-N 0 0 316.361 0.094 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)S(=O)(=O)N1CCCC1 ZINC000328827503 159033149 /nfs/dbraw/zinc/03/31/49/159033149.db2.gz ILPJETIKXVTGST-QWRGUYRKSA-N 0 0 322.406 0.206 10 0 DCAERN O=C(N1CCSCC1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000328839851 159033507 /nfs/dbraw/zinc/03/35/07/159033507.db2.gz NYQMAZGDUZNIOK-LBPRGKRZSA-N 0 0 311.411 0.576 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)on1 ZINC000328834856 159033555 /nfs/dbraw/zinc/03/35/55/159033555.db2.gz LZPNHASRWQUCIH-QWHCGFSZSA-N 0 0 315.395 0.218 10 0 DCAERN Cc1nnc(N2CCS(=O)(=O)[C@H](C)C2)n1C[C@H]1CCCO1 ZINC000328840602 159034111 /nfs/dbraw/zinc/03/41/11/159034111.db2.gz OHJCOTRJOQLWAJ-ZYHUDNBSSA-N 0 0 314.411 0.389 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000328916299 159040785 /nfs/dbraw/zinc/04/07/85/159040785.db2.gz AIKTZQPNULTXJJ-MNOVXSKESA-N 0 0 304.306 0.704 10 0 DCAERN Cn1cnn(CCC(=O)N2CCO[C@H](C3CCCCC3)C2)c1=O ZINC000329071122 159058027 /nfs/dbraw/zinc/05/80/27/159058027.db2.gz YVJDHKZPGFAOGM-AWEZNQCLSA-N 0 0 322.409 0.780 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)C1 ZINC000329115077 159063473 /nfs/dbraw/zinc/06/34/73/159063473.db2.gz IAGKXCZHFWHVJQ-LOWVWBTDSA-N 0 0 324.381 0.885 10 0 DCAERN O=C([C@@H]1CCCO1)N(C1CC1)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000329137746 159066705 /nfs/dbraw/zinc/06/67/05/159066705.db2.gz DKQGHLDQGHFCEO-KKUMJFAQSA-N 0 0 322.405 0.936 10 0 DCAERN CC1(C)C[S@](=O)CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000329168785 159069914 /nfs/dbraw/zinc/06/99/14/159069914.db2.gz IXBBHXFOAUVLQM-WIUDPPPLSA-N 0 0 315.439 0.603 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCO[C@]3(CCCOC3)C1)CC2 ZINC000329206888 159073402 /nfs/dbraw/zinc/07/34/02/159073402.db2.gz ZTNSBJGOMYVIBH-SUMWQHHRSA-N 0 0 319.405 0.933 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2c2ccnc3c2cnn3C)n1 ZINC000329215396 159074379 /nfs/dbraw/zinc/07/43/79/159074379.db2.gz MPLGDEWWNHEUCQ-JOYOIKCWSA-N 0 0 300.322 0.972 10 0 DCAERN CCCN(C(=O)c1cnn2ccncc12)[C@H]1CCS(=O)(=O)C1 ZINC000329234650 159075921 /nfs/dbraw/zinc/07/59/21/159075921.db2.gz HZNVRJACAXKPIV-NSHDSACASA-N 0 0 322.390 0.769 10 0 DCAERN C[S@](=O)c1nncn1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000329240970 159075985 /nfs/dbraw/zinc/07/59/85/159075985.db2.gz NCSGWJPVDYHFOO-NNOLRYQLSA-N 0 0 312.395 0.186 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000329269702 159078364 /nfs/dbraw/zinc/07/83/64/159078364.db2.gz FHBCFASIDGCWCE-LRDDRELGSA-N 0 0 310.394 0.794 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)O1 ZINC000329282589 159079367 /nfs/dbraw/zinc/07/93/67/159079367.db2.gz NSCFTAUIISZLLC-VWPFQQQWSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000329326021 159082599 /nfs/dbraw/zinc/08/25/99/159082599.db2.gz TYKDGQGXCUZSOG-RRFJBIMHSA-N 0 0 317.389 0.973 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000329367166 159085907 /nfs/dbraw/zinc/08/59/07/159085907.db2.gz ITINIGZLRWWBOO-OAHLLOKOSA-N 0 0 320.437 0.922 10 0 DCAERN O=C1NC[C@H]2CN(CCc3ccc4c(c3)OCCO4)CCN12 ZINC000329437116 159092126 /nfs/dbraw/zinc/09/21/26/159092126.db2.gz JGKCSQNMHZEYFT-ZDUSSCGKSA-N 0 0 303.362 0.914 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CCC2(C)CC2)C[C@@H]1C ZINC000329447849 159093525 /nfs/dbraw/zinc/09/35/25/159093525.db2.gz OEFNYFVOZDNPFR-QWHCGFSZSA-N 0 0 304.456 0.893 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329479628 159096547 /nfs/dbraw/zinc/09/65/47/159096547.db2.gz QNBHMSAFEPQVTP-LLVKDONJSA-N 0 0 322.365 0.240 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000329502669 159097681 /nfs/dbraw/zinc/09/76/81/159097681.db2.gz KTGFDWASVCHAEK-RRFJBIMHSA-N 0 0 322.409 0.995 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@H](OC)C2)nn1 ZINC000329501728 159098060 /nfs/dbraw/zinc/09/80/60/159098060.db2.gz GJUAOCZMNVUUEP-CYZMBNFOSA-N 0 0 310.354 0.115 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329741163 159115930 /nfs/dbraw/zinc/11/59/30/159115930.db2.gz OMANGCTXDVOUHW-LBPRGKRZSA-N 0 0 308.363 0.657 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3snnc3C3CC3)C[C@H]21 ZINC000329737759 159116646 /nfs/dbraw/zinc/11/66/46/159116646.db2.gz TXNJPVGPMUUBSH-GHMZBOCLSA-N 0 0 308.407 0.961 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2n1 ZINC000329758030 159117444 /nfs/dbraw/zinc/11/74/44/159117444.db2.gz NIQCRBLQKQHAIC-XQQFMLRXSA-N 0 0 315.377 0.513 10 0 DCAERN Cc1c([C@@H]2[C@H](C(=O)N(C)[C@H]3CCOC3)CC(=O)N2C)cnn1C ZINC000329801326 159120529 /nfs/dbraw/zinc/12/05/29/159120529.db2.gz JLCSBLXBCZGPGZ-ZOWXZIJZSA-N 0 0 320.393 0.495 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000330041884 159137127 /nfs/dbraw/zinc/13/71/27/159137127.db2.gz GKHHPRMTWRNNSY-CWRNSKLLSA-N 0 0 319.405 0.684 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330040415 159137159 /nfs/dbraw/zinc/13/71/59/159137159.db2.gz FSQZAFDZLIXYSE-JQWIXIFHSA-N 0 0 307.354 0.676 10 0 DCAERN O=C(c1cccnc1N1CCOCC1)N1CC(O)(C2CC2)C1 ZINC000330044854 159137749 /nfs/dbraw/zinc/13/77/49/159137749.db2.gz FZBAMIVDOPVAJW-UHFFFAOYSA-N 0 0 303.362 0.515 10 0 DCAERN Cn1ccnc1CC1CCN(S(=O)(=O)c2cnnn2C)CC1 ZINC000330092577 159141063 /nfs/dbraw/zinc/14/10/63/159141063.db2.gz QWCZINAADZTJJA-UHFFFAOYSA-N 0 0 324.410 0.192 10 0 DCAERN CO[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C[C@@H]1OC ZINC000330183812 159148766 /nfs/dbraw/zinc/14/87/66/159148766.db2.gz IEROUTKRWHZBJO-XDQVBPFNSA-N 0 0 309.366 0.370 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000330294562 159157387 /nfs/dbraw/zinc/15/73/87/159157387.db2.gz IQFQSNQCSJXWLM-SUTOTMHJSA-N 0 0 318.464 0.667 10 0 DCAERN C[C@H](C(=O)N1CCC(Cn2cncn2)CC1)N1CCOCC1 ZINC000330315911 159159268 /nfs/dbraw/zinc/15/92/68/159159268.db2.gz PUHZVSBNLMONEW-CYBMUJFWSA-N 0 0 307.398 0.237 10 0 DCAERN O=C(NCC[C@H](O)C(F)(F)F)[C@H]1CCCCS1(=O)=O ZINC000330382398 159167202 /nfs/dbraw/zinc/16/72/02/159167202.db2.gz IZYAHZFLIWVYRG-SFYZADRCSA-N 0 0 303.302 0.383 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](C)N2CCOCC2)no1 ZINC000332813009 159214582 /nfs/dbraw/zinc/21/45/82/159214582.db2.gz PDHGKCINYOXARS-DGCLKSJQSA-N 0 0 323.397 0.945 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)c1cnn(C)c1 ZINC000332908160 159216224 /nfs/dbraw/zinc/21/62/24/159216224.db2.gz UNSBCVUQJWGTIC-OCCSQVGLSA-N 0 0 307.398 0.597 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000359250846 159256642 /nfs/dbraw/zinc/25/66/42/159256642.db2.gz WUQKOMILUNIWHC-BETUJISGSA-N 0 0 319.361 0.139 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCCS(N)(=O)=O)CC2 ZINC000359267713 159258516 /nfs/dbraw/zinc/25/85/16/159258516.db2.gz GXPHZZBJLHJZPF-SECBINFHSA-N 0 0 314.411 0.043 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000359285256 159262353 /nfs/dbraw/zinc/26/23/53/159262353.db2.gz MCFFAPNXBPWFOM-YNEHKIRRSA-N 0 0 304.387 0.267 10 0 DCAERN COc1cccc(OC)c1OC[C@@H](O)CN1CC(=O)N(C)C1 ZINC000360473841 159270025 /nfs/dbraw/zinc/27/00/25/159270025.db2.gz LQHOWJPXEKUODD-NSHDSACASA-N 0 0 310.350 0.175 10 0 DCAERN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CCCO)C2=O ZINC000367102228 159314004 /nfs/dbraw/zinc/31/40/04/159314004.db2.gz VIUHQHPRKXJXPK-XHDPSFHLSA-N 0 0 311.382 0.328 10 0 DCAERN Cc1ccnc(C2CCN(CCS(=O)(=O)N(C)C)CC2)n1 ZINC000367210162 159322027 /nfs/dbraw/zinc/32/20/27/159322027.db2.gz APBQUYHFGGCHMZ-UHFFFAOYSA-N 0 0 312.439 0.856 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000367631694 159347309 /nfs/dbraw/zinc/34/73/09/159347309.db2.gz RSUHXUZJQBMXIT-JHJVBQTASA-N 0 0 313.398 0.443 10 0 DCAERN COc1cc(C(=O)N2CCOCC[C@H]2C)ccc1OCC(N)=O ZINC000367655847 159349567 /nfs/dbraw/zinc/34/95/67/159349567.db2.gz DJKBWEJHYWKELC-LLVKDONJSA-N 0 0 322.361 0.810 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CC(=O)N1C ZINC000368524779 159399956 /nfs/dbraw/zinc/39/99/56/159399956.db2.gz BSSDJKZGCAROBN-GHMZBOCLSA-N 0 0 308.407 0.801 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H]2C)C1 ZINC000371239917 159554519 /nfs/dbraw/zinc/55/45/19/159554519.db2.gz AIDZRGRGQNHVHM-QJPTWQEYSA-N 0 0 319.427 0.276 10 0 DCAERN COC(=O)CC1(CC(=O)N2CCN3C(=O)NC[C@@H]3C2)CCCC1 ZINC000373642259 159691114 /nfs/dbraw/zinc/69/11/14/159691114.db2.gz WUASULUTLRQLSY-GFCCVEGCSA-N 0 0 323.393 0.736 10 0 DCAERN NC(=O)[C@@]1(NC(=O)Cc2cc(F)c(F)cc2F)CCCOC1 ZINC000376798656 159877998 /nfs/dbraw/zinc/87/79/98/159877998.db2.gz IUWFAQQSVONYKG-CQSZACIVSA-N 0 0 316.279 0.797 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)CCC(=O)NC1 ZINC000407958472 159996990 /nfs/dbraw/zinc/99/69/90/159996990.db2.gz PFQHWFCMUUBTFV-UISBYWKRSA-N 0 0 308.300 0.817 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000407975176 160000738 /nfs/dbraw/zinc/00/07/38/160000738.db2.gz WFAGPXNCNGMFCQ-WOPDTQHZSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000407976290 160000845 /nfs/dbraw/zinc/00/08/45/160000845.db2.gz NEIFFENWIPQOMP-SJCJKPOMSA-N 0 0 321.421 0.810 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(N)=O)O2)[nH]1 ZINC000407981358 160001669 /nfs/dbraw/zinc/00/16/69/160001669.db2.gz SYKZUOLBBRJPDO-HBNTYKKESA-N 0 0 307.354 0.200 10 0 DCAERN C[C@@H](CC(=O)N1CCC[C@H]1C(=O)N(C)C)N1CCCCC1=O ZINC000407983790 160002740 /nfs/dbraw/zinc/00/27/40/160002740.db2.gz RMVVAFLZOIIZEW-STQMWFEESA-N 0 0 309.410 0.857 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000407982363 160002783 /nfs/dbraw/zinc/00/27/83/160002783.db2.gz YCZCNRXZRLWBKS-DGCLKSJQSA-N 0 0 308.378 0.451 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1(O)CCOC1 ZINC000407993164 160005045 /nfs/dbraw/zinc/00/50/45/160005045.db2.gz LXEFMMVZUJUDTC-NHYWBVRUSA-N 0 0 323.397 0.687 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000407993047 160005328 /nfs/dbraw/zinc/00/53/28/160005328.db2.gz WIBFPAXOYFYPOF-CQSZACIVSA-N 0 0 311.426 0.160 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000407994360 160005866 /nfs/dbraw/zinc/00/58/66/160005866.db2.gz CFYIZFRDCBNOJF-TUAOUCFPSA-N 0 0 300.424 0.917 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(C)(C)S(C)(=O)=O)[C@H]2C1 ZINC000407994644 160005871 /nfs/dbraw/zinc/00/58/71/160005871.db2.gz DFGGMODNHLXXSV-WOPDTQHZSA-N 0 0 319.423 0.605 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000407994220 160006108 /nfs/dbraw/zinc/00/61/08/160006108.db2.gz APPYGUDUSKALFR-LBPRGKRZSA-N 0 0 303.428 0.612 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000407997306 160006289 /nfs/dbraw/zinc/00/62/89/160006289.db2.gz GUWCZTHECZLDOV-AWEZNQCLSA-N 0 0 309.410 0.714 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c[nH]1 ZINC000407998482 160006735 /nfs/dbraw/zinc/00/67/35/160006735.db2.gz RZXAWAQTYNUMOX-GFCCVEGCSA-N 0 0 308.407 0.898 10 0 DCAERN CC(=O)N1CCCN(C(=O)NCc2cn3c(n2)CCCC3)CC1 ZINC000407998029 160006839 /nfs/dbraw/zinc/00/68/39/160006839.db2.gz ZVWFZGCMNUXIBM-UHFFFAOYSA-N 0 0 319.409 0.983 10 0 DCAERN CNS(=O)(=O)NCC(=O)Nc1nc2c(s1)CCCCC2 ZINC000407999698 160006994 /nfs/dbraw/zinc/00/69/94/160006994.db2.gz WXVVQMWIHGVYON-UHFFFAOYSA-N 0 0 318.424 0.404 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCc2c(Cl)cccc2C1 ZINC000407999882 160007122 /nfs/dbraw/zinc/00/71/22/160007122.db2.gz XREHBZZDXOFHAN-UHFFFAOYSA-N 0 0 317.798 0.279 10 0 DCAERN CCN1CCC[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003755 160008551 /nfs/dbraw/zinc/00/85/51/160008551.db2.gz HDEREURYAYVDQO-LBPRGKRZSA-N 0 0 318.439 0.181 10 0 DCAERN CCn1nncc1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408007872 160009915 /nfs/dbraw/zinc/00/99/15/160009915.db2.gz FOMDEGNJNAZIQO-LBPRGKRZSA-N 0 0 305.382 0.773 10 0 DCAERN Cc1c(CCC(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1C ZINC000408010332 160010574 /nfs/dbraw/zinc/01/05/74/160010574.db2.gz KBOVBEWSXYCFGM-UHFFFAOYSA-N 0 0 313.423 0.697 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)s1 ZINC000408011427 160010676 /nfs/dbraw/zinc/01/06/76/160010676.db2.gz QPKQLLKDGFSOHU-VIFPVBQESA-N 0 0 324.449 0.362 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408013751 160011020 /nfs/dbraw/zinc/01/10/20/160011020.db2.gz OFVRFNZLEDGMEP-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@@H]1CCCCN1CCNC(=O)N1CCS(=O)(=O)CC1 ZINC000408013826 160011210 /nfs/dbraw/zinc/01/12/10/160011210.db2.gz GJKQICAYLRDNLL-GFCCVEGCSA-N 0 0 303.428 0.301 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408016264 160012285 /nfs/dbraw/zinc/01/22/85/160012285.db2.gz JCEINXOBTWZMOS-KBPBESRZSA-N 0 0 311.407 0.484 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC000408017457 160012514 /nfs/dbraw/zinc/01/25/14/160012514.db2.gz SFDLSSHTXSLPCI-RYUDHWBXSA-N 0 0 314.411 0.340 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408019821 160013093 /nfs/dbraw/zinc/01/30/93/160013093.db2.gz BBKRXGUPNKGERA-YUTCNCBUSA-N 0 0 321.377 0.329 10 0 DCAERN CO[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1cnn(C)c1 ZINC000408020682 160014092 /nfs/dbraw/zinc/01/40/92/160014092.db2.gz FCLFMHNIUKGWAC-IHRRRGAJSA-N 0 0 308.382 0.039 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408023186 160014127 /nfs/dbraw/zinc/01/41/27/160014127.db2.gz YBJPAFLACAEMCV-OUAUKWLOSA-N 0 0 313.423 0.410 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408021418 160014159 /nfs/dbraw/zinc/01/41/59/160014159.db2.gz MSYYSILIKHKVNN-MNOVXSKESA-N 0 0 313.423 0.377 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408021416 160014175 /nfs/dbraw/zinc/01/41/75/160014175.db2.gz MSYYSILIKHKVNN-GHMZBOCLSA-N 0 0 313.423 0.377 10 0 DCAERN CCCCS(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408027125 160014444 /nfs/dbraw/zinc/01/44/44/160014444.db2.gz IXVSMEGRUDNDLR-LLVKDONJSA-N 0 0 302.400 0.796 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N2CCCCC2)CC(C)(C)O1 ZINC000408025344 160014753 /nfs/dbraw/zinc/01/47/53/160014753.db2.gz BBYAFAMOGIPHSI-GFCCVEGCSA-N 0 0 306.428 0.843 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408025012 160014958 /nfs/dbraw/zinc/01/49/58/160014958.db2.gz MIKKOWXHZZBGPK-ZJUUUORDSA-N 0 0 309.395 0.381 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408025009 160015170 /nfs/dbraw/zinc/01/51/70/160015170.db2.gz MIKKOWXHZZBGPK-NXEZZACHSA-N 0 0 309.395 0.381 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408029334 160015511 /nfs/dbraw/zinc/01/55/11/160015511.db2.gz SZCSKJOEFVDCPR-YYJSSNLHSA-N 0 0 304.412 0.819 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408028353 160015514 /nfs/dbraw/zinc/01/55/14/160015514.db2.gz DAGZTVOEZWLRLW-UKRRQHHQSA-N 0 0 306.362 0.946 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(S(=O)(=O)N(C)CC(C)C)C1 ZINC000408027216 160015602 /nfs/dbraw/zinc/01/56/02/160015602.db2.gz JSJUBZYHFJKCDH-MNOVXSKESA-N 0 0 317.415 0.399 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000408032116 160016906 /nfs/dbraw/zinc/01/69/06/160016906.db2.gz RUEQTQYXVSNSFC-NGZCFLSTSA-N 0 0 319.383 0.505 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2ncc(Br)s2)C1 ZINC000408037372 160019039 /nfs/dbraw/zinc/01/90/39/160019039.db2.gz CNXQFELDRUTOIE-JTQLQIEISA-N 0 0 320.212 0.718 10 0 DCAERN O[C@@H]1CCCC[C@H]1[C@@H]1COCCN1Cc1nnnn1C1CC1 ZINC000408045209 160021549 /nfs/dbraw/zinc/02/15/49/160021549.db2.gz QIEWTQYYLDSXNC-MELADBBJSA-N 0 0 307.398 0.760 10 0 DCAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000408044600 160021665 /nfs/dbraw/zinc/02/16/65/160021665.db2.gz AKVNFXLPLTVGQK-CXTNEJHOSA-N 0 0 311.426 0.598 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000408046082 160021929 /nfs/dbraw/zinc/02/19/29/160021929.db2.gz AQCUTIRDQYVZRW-SSDOTTSWSA-N 0 0 317.271 0.100 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1CC(F)F ZINC000408046796 160022875 /nfs/dbraw/zinc/02/28/75/160022875.db2.gz YDWHBVOENAHHQS-QWRGUYRKSA-N 0 0 324.393 0.609 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000408051826 160023810 /nfs/dbraw/zinc/02/38/10/160023810.db2.gz MBUNOVITHVWFDU-ORHYLEIMSA-N 0 0 318.439 0.899 10 0 DCAERN CN(C)c1ncccc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408053491 160024377 /nfs/dbraw/zinc/02/43/77/160024377.db2.gz UZGQOUUYGVVLKV-NEPJUHHUSA-N 0 0 303.366 0.386 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408052722 160024545 /nfs/dbraw/zinc/02/45/45/160024545.db2.gz CTSFZEOOYUYDES-QZDOHJIMSA-N 0 0 312.410 0.536 10 0 DCAERN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058432 160025808 /nfs/dbraw/zinc/02/58/08/160025808.db2.gz JDOACKAAMNNKMS-BONVTDFDSA-N 0 0 309.366 0.128 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000408059316 160025969 /nfs/dbraw/zinc/02/59/69/160025969.db2.gz BZNXEFMSNMDUAV-YNEHKIRRSA-N 0 0 324.377 0.035 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408062079 160026590 /nfs/dbraw/zinc/02/65/90/160026590.db2.gz MVKRDNIRWBTZSI-SDDRHHMPSA-N 0 0 302.396 0.170 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)CCNC(=O)C(C)(C)C)CC[C@@H]21 ZINC000408063247 160026591 /nfs/dbraw/zinc/02/65/91/160026591.db2.gz IMOYMONAGFPDIF-MNOVXSKESA-N 0 0 310.398 0.163 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000408067220 160027437 /nfs/dbraw/zinc/02/74/37/160027437.db2.gz JIXPFVBKBGTIKI-LLVKDONJSA-N 0 0 300.384 0.018 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066220 160027455 /nfs/dbraw/zinc/02/74/55/160027455.db2.gz VYSCOWWFFYEKBR-HZSPNIEDSA-N 0 0 324.425 0.112 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408068847 160027662 /nfs/dbraw/zinc/02/76/62/160027662.db2.gz YDSKAPKFFQFLQS-UWVGGRQHSA-N 0 0 300.384 0.003 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076262 160030320 /nfs/dbraw/zinc/03/03/20/160030320.db2.gz GBXJIQPSWGDOMK-ZJUUUORDSA-N 0 0 317.345 0.744 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c[nH]1 ZINC000408075542 160030424 /nfs/dbraw/zinc/03/04/24/160030424.db2.gz YOXXZDUAZJOQDD-QWHCGFSZSA-N 0 0 307.350 0.346 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000408078165 160031203 /nfs/dbraw/zinc/03/12/03/160031203.db2.gz BHTOAVITBCFOCD-LBPRGKRZSA-N 0 0 303.428 0.708 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CCO1 ZINC000408082793 160031706 /nfs/dbraw/zinc/03/17/06/160031706.db2.gz HJRDAIUMDHUFNX-WOPDTQHZSA-N 0 0 304.412 0.630 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)nc1C ZINC000408091195 160033273 /nfs/dbraw/zinc/03/32/73/160033273.db2.gz UCPSZWPIFSUKQP-CMPLNLGQSA-N 0 0 301.412 0.993 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1O ZINC000408091624 160034434 /nfs/dbraw/zinc/03/44/34/160034434.db2.gz VSFCTYPMFPYYKY-MFKMUULPSA-N 0 0 323.378 0.054 10 0 DCAERN C[C@@H]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H]1O ZINC000408094106 160034494 /nfs/dbraw/zinc/03/44/94/160034494.db2.gz FKDZMGZWMSJJML-APPZFPTMSA-N 0 0 304.393 0.238 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@@H]1O ZINC000408093449 160034534 /nfs/dbraw/zinc/03/45/34/160034534.db2.gz VSHKLWGNTLWJRX-MCIONIFRSA-N 0 0 319.409 0.858 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C[C@H]1O ZINC000408096267 160034988 /nfs/dbraw/zinc/03/49/88/160034988.db2.gz YSICFXRPZOZGDG-GXFFZTMASA-N 0 0 317.345 0.331 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCCC[C@@H]1CO ZINC000408104733 160036702 /nfs/dbraw/zinc/03/67/02/160036702.db2.gz MSIKIOWLMKFZQJ-UTUOFQBUSA-N 0 0 304.412 0.414 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCOC3(CCOCC3)C2)nc1 ZINC000408106855 160037202 /nfs/dbraw/zinc/03/72/02/160037202.db2.gz MPXVEFJADBSRQS-UHFFFAOYSA-N 0 0 312.391 0.871 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCOc2cc(O)ccc2C1 ZINC000408109413 160037653 /nfs/dbraw/zinc/03/76/53/160037653.db2.gz YIQDKDINMJXICP-UHFFFAOYSA-N 0 0 314.363 0.005 10 0 DCAERN NC(=O)C1CCC(NS(=O)(=O)N2CCCCCC2)CC1 ZINC000408122083 160040902 /nfs/dbraw/zinc/04/09/02/160040902.db2.gz TXLSPZGBRINTAB-UHFFFAOYSA-N 0 0 303.428 0.741 10 0 DCAERN C[C@]1(CO)CCC[C@H]1NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121250 160041171 /nfs/dbraw/zinc/04/11/71/160041171.db2.gz CNFFQWBULRCMPD-DGCLKSJQSA-N 0 0 306.428 0.483 10 0 DCAERN CNS(=O)(=O)CCCN1CCN(C(=O)N(C)C)CC1(C)C ZINC000408130843 160043554 /nfs/dbraw/zinc/04/35/54/160043554.db2.gz FNKRJYPVJJQGIR-UHFFFAOYSA-N 0 0 320.459 0.004 10 0 DCAERN C[C@@H](C[N-]S(=O)(=O)CC(F)(F)F)N1CC[NH+](C)CC1 ZINC000408141303 160046045 /nfs/dbraw/zinc/04/60/45/160046045.db2.gz UFDFNLBAWDCEAU-VIFPVBQESA-N 0 0 303.350 0.104 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408140958 160046223 /nfs/dbraw/zinc/04/62/23/160046223.db2.gz UVYYNZOVUFZLIH-JTQLQIEISA-N 0 0 307.316 0.608 10 0 DCAERN CC(C)n1nnnc1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000408146846 160047671 /nfs/dbraw/zinc/04/76/71/160047671.db2.gz VXSYKAQXYYMIGC-SECBINFHSA-N 0 0 305.429 0.628 10 0 DCAERN Cc1nc([C@H]2CN(S(=O)(=O)N(C)CC(C)C)CCO2)no1 ZINC000408152457 160049013 /nfs/dbraw/zinc/04/90/13/160049013.db2.gz ANJNYZAVLVZRKE-LLVKDONJSA-N 0 0 318.399 0.584 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159967 160049920 /nfs/dbraw/zinc/04/99/20/160049920.db2.gz HSXNKMXILUETMN-UPJWGTAASA-N 0 0 309.410 0.666 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)n(C)n1 ZINC000408160643 160050014 /nfs/dbraw/zinc/05/00/14/160050014.db2.gz WQHHFBNNNWBXMJ-OAHLLOKOSA-N 0 0 322.365 0.075 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CCO1 ZINC000408160941 160050242 /nfs/dbraw/zinc/05/02/42/160050242.db2.gz YCQMTRMPWQFULV-QJPTWQEYSA-N 0 0 304.412 0.471 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000408169102 160051714 /nfs/dbraw/zinc/05/17/14/160051714.db2.gz LFULFVCGFBKYON-OLZOCXBDSA-N 0 0 309.410 0.759 10 0 DCAERN Cc1noc2ncc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc12 ZINC000408179630 160053708 /nfs/dbraw/zinc/05/37/08/160053708.db2.gz GBKIIXOZTWTLLP-SNVBAGLBSA-N 0 0 324.362 0.295 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408185954 160055250 /nfs/dbraw/zinc/05/52/50/160055250.db2.gz FRFVYIBZWPFKIN-WDEREUQCSA-N 0 0 306.428 0.133 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cs1 ZINC000408186758 160055468 /nfs/dbraw/zinc/05/54/68/160055468.db2.gz JBOHKXKBUHEIAE-FXBDTBDDSA-N 0 0 316.404 0.238 10 0 DCAERN Cc1ccc([C@H]2COCCN2C(=O)CS(=O)(=O)N(C)C)o1 ZINC000408185396 160055501 /nfs/dbraw/zinc/05/55/01/160055501.db2.gz JIMREWWIJXKDGH-LLVKDONJSA-N 0 0 316.379 0.379 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408189272 160056002 /nfs/dbraw/zinc/05/60/02/160056002.db2.gz WFNYCDROWIXVMD-JURCDPSOSA-N 0 0 318.373 0.857 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000408190437 160056367 /nfs/dbraw/zinc/05/63/67/160056367.db2.gz YTVOIXVVJPLDIR-FPMFFAJLSA-N 0 0 322.405 0.781 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000408191592 160056535 /nfs/dbraw/zinc/05/65/35/160056535.db2.gz HAKSGZDLCSJTCV-MELADBBJSA-N 0 0 320.455 0.272 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCSCC2)C1 ZINC000408192928 160056879 /nfs/dbraw/zinc/05/68/79/160056879.db2.gz BDZPXWLMNKAMBD-SNVBAGLBSA-N 0 0 307.441 0.215 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)CC(=O)N1 ZINC000408197616 160057259 /nfs/dbraw/zinc/05/72/59/160057259.db2.gz KZYSDARKVQTGEE-CHWSQXEVSA-N 0 0 305.378 0.839 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C)nc(C)n2)C1 ZINC000408198113 160057373 /nfs/dbraw/zinc/05/73/73/160057373.db2.gz LLIPBFZEDOAPJH-LLVKDONJSA-N 0 0 312.395 0.247 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(c3nccn3C)CC2)CC(=O)N1 ZINC000408200916 160058328 /nfs/dbraw/zinc/05/83/28/160058328.db2.gz FUARPWDNVYVCBJ-CHWSQXEVSA-N 0 0 319.409 0.374 10 0 DCAERN Cc1ccc2nc(CN3CCS(=O)(=O)[C@H](C)C3)cc(=O)n2c1 ZINC000408203369 160058979 /nfs/dbraw/zinc/05/89/79/160058979.db2.gz QBGHXQIZQLMXGE-GFCCVEGCSA-N 0 0 321.402 0.622 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)c1nc(C)c(C)s1 ZINC000408203572 160058999 /nfs/dbraw/zinc/05/89/99/160058999.db2.gz DEXGLIUTXUKNQA-MRVPVSSYSA-N 0 0 322.433 0.997 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)CC(=O)N1 ZINC000408203171 160059345 /nfs/dbraw/zinc/05/93/45/160059345.db2.gz PIJVREAOZYJOSI-VXGBXAGGSA-N 0 0 324.425 0.506 10 0 DCAERN CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000408207160 160060364 /nfs/dbraw/zinc/06/03/64/160060364.db2.gz QXVGHQOMWDUHMW-LLVKDONJSA-N 0 0 317.397 0.207 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2[C@H](C)COC[C@@H]2C)C1 ZINC000408218578 160062311 /nfs/dbraw/zinc/06/23/11/160062311.db2.gz SSTVGRZAJMLAQD-XQQFMLRXSA-N 0 0 318.439 0.684 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000408217642 160062420 /nfs/dbraw/zinc/06/24/20/160062420.db2.gz FRXVEIVWIRNGEY-MNOVXSKESA-N 0 0 301.412 0.838 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408218556 160062473 /nfs/dbraw/zinc/06/24/73/160062473.db2.gz SSAADTHSDXQWCI-STQMWFEESA-N 0 0 310.398 0.306 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408217057 160062525 /nfs/dbraw/zinc/06/25/25/160062525.db2.gz DMYNAGCPZFPSHE-SECBINFHSA-N 0 0 301.455 0.188 10 0 DCAERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000408221721 160063164 /nfs/dbraw/zinc/06/31/64/160063164.db2.gz KPNIGIUGXGRNRK-MGPLVRAMSA-N 0 0 323.393 0.793 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408231530 160064820 /nfs/dbraw/zinc/06/48/20/160064820.db2.gz NNLPASZWUABDFM-PSASIEDQSA-N 0 0 310.366 0.818 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000408236654 160066380 /nfs/dbraw/zinc/06/63/80/160066380.db2.gz JZSKEWRYMMVZNX-VHSXEESVSA-N 0 0 308.350 0.384 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1CC[C@H](O)C1(C)C)c2=O ZINC000408239850 160066709 /nfs/dbraw/zinc/06/67/09/160066709.db2.gz FNAWNIADZREJMN-LBPRGKRZSA-N 0 0 301.346 0.988 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000408237740 160066959 /nfs/dbraw/zinc/06/69/59/160066959.db2.gz RVSFBQRQULTNNX-GMTAPVOTSA-N 0 0 302.400 0.425 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408237729 160067037 /nfs/dbraw/zinc/06/70/37/160067037.db2.gz RSIRTCTYHALMRD-OUAUKWLOSA-N 0 0 308.400 0.081 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)nn1C ZINC000408247981 160068994 /nfs/dbraw/zinc/06/89/94/160068994.db2.gz ZUNQKRGFQSNJOI-ZDUSSCGKSA-N 0 0 318.381 0.478 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3n[nH]c(C)c3C)CCO2)n1 ZINC000408247064 160069104 /nfs/dbraw/zinc/06/91/04/160069104.db2.gz RHHWXWGSWPSFBE-ZDUSSCGKSA-N 0 0 318.381 0.776 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248640 160069413 /nfs/dbraw/zinc/06/94/13/160069413.db2.gz WMIVDYAUCDOUPR-DYVFJYSZSA-N 0 0 321.421 0.906 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)ccc21 ZINC000408248484 160069509 /nfs/dbraw/zinc/06/95/09/160069509.db2.gz VRCPPAVQIPTAOX-MRXNPFEDSA-N 0 0 313.361 0.711 10 0 DCAERN C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000408253424 160070010 /nfs/dbraw/zinc/07/00/10/160070010.db2.gz HALCJTFYKFOZGN-STQMWFEESA-N 0 0 307.398 0.819 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000408254295 160070039 /nfs/dbraw/zinc/07/00/39/160070039.db2.gz COKFQOYNHHGLBY-AGIUHOORSA-N 0 0 318.439 0.876 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000408254305 160070827 /nfs/dbraw/zinc/07/08/27/160070827.db2.gz COKFQOYNHHGLBY-XQQFMLRXSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@H]1N(C(=O)[C@@H](O)Cc2cnn(C)c2)CCC12CCOCC2 ZINC000408274333 160073251 /nfs/dbraw/zinc/07/32/51/160073251.db2.gz KKNOROKMGOXLGY-OCCSQVGLSA-N 0 0 307.394 0.741 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)Cc2ccnn2C)C(C)(C)C1 ZINC000408272516 160073612 /nfs/dbraw/zinc/07/36/12/160073612.db2.gz FEUSOVFCXXLATF-UHFFFAOYSA-N 0 0 307.398 0.567 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000408279196 160075098 /nfs/dbraw/zinc/07/50/98/160075098.db2.gz IEACFGDREDTWJH-INIZCTEOSA-N 0 0 320.345 0.982 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1=CCOCC1 ZINC000408280820 160076058 /nfs/dbraw/zinc/07/60/58/160076058.db2.gz KGPHDMCDIJNHTG-UHFFFAOYSA-N 0 0 322.386 0.831 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C)C[C@@H]1C ZINC000408287521 160076783 /nfs/dbraw/zinc/07/67/83/160076783.db2.gz RMHOLTXPZJCOJH-BBRMVZONSA-N 0 0 307.394 0.070 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCCC1 ZINC000408287609 160076910 /nfs/dbraw/zinc/07/69/10/160076910.db2.gz SMXVAFYJUNHXMR-SNVBAGLBSA-N 0 0 315.399 0.190 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000408289283 160077438 /nfs/dbraw/zinc/07/74/38/160077438.db2.gz DUCFCHOHMQWUAL-LLVKDONJSA-N 0 0 313.427 0.704 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1c[nH]nc1[C@@H]1CCOC1)CCO2 ZINC000408300607 160080173 /nfs/dbraw/zinc/08/01/73/160080173.db2.gz YQEHVHUDEAQHTE-OZVIIMIRSA-N 0 0 321.377 0.934 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@](C)(O)C(C)C)C1 ZINC000408303741 160080463 /nfs/dbraw/zinc/08/04/63/160080463.db2.gz SEALMQTZLDQBEF-YPMHNXCESA-N 0 0 306.428 0.322 10 0 DCAERN C[C@@H](CCNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)[S@](C)=O ZINC000408305312 160080488 /nfs/dbraw/zinc/08/04/88/160080488.db2.gz IYOUKMYSVFFYRO-KWYDEZNMSA-N 0 0 308.469 0.694 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000408309748 160082153 /nfs/dbraw/zinc/08/21/53/160082153.db2.gz YWDOPSPSVFBPQL-CMPLNLGQSA-N 0 0 319.427 0.135 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)CC(=O)N1 ZINC000408318230 160083939 /nfs/dbraw/zinc/08/39/39/160083939.db2.gz INFCRXWVWNVSSJ-YIYPIFLZSA-N 0 0 311.426 0.205 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)C1(O)CCOCC1 ZINC000408322084 160084962 /nfs/dbraw/zinc/08/49/62/160084962.db2.gz WVAFYOJFMOCREP-UHFFFAOYSA-N 0 0 317.139 0.617 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)o1 ZINC000408324419 160085293 /nfs/dbraw/zinc/08/52/93/160085293.db2.gz MCXTUISNSOZKOT-UHFFFAOYSA-N 0 0 309.347 0.429 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000408340125 160088081 /nfs/dbraw/zinc/08/80/81/160088081.db2.gz NBTGALNLCOELEO-FXPVBKGRSA-N 0 0 304.437 0.276 10 0 DCAERN CC1(C)CN(C(=O)[C@@H](CO)NC(N)=O)CC[C@@H]1C(F)(F)F ZINC000408341721 160088238 /nfs/dbraw/zinc/08/82/38/160088238.db2.gz IGDMHVPKXAMZBG-SFYZADRCSA-N 0 0 311.304 0.453 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408344849 160088763 /nfs/dbraw/zinc/08/87/63/160088763.db2.gz BJNVXVJLPSUPQF-IPYPFGDCSA-N 0 0 320.393 0.577 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@]2(C)CCCO2)C1=O ZINC000408343386 160088942 /nfs/dbraw/zinc/08/89/42/160088942.db2.gz PFXVEJYSGYVNIC-IAQYHMDHSA-N 0 0 306.366 0.601 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000408363643 160092197 /nfs/dbraw/zinc/09/21/97/160092197.db2.gz YSPJIILPMOXYHH-JTQLQIEISA-N 0 0 318.399 0.811 10 0 DCAERN CO[C@@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@H]1OC ZINC000408360342 160092539 /nfs/dbraw/zinc/09/25/39/160092539.db2.gz YZJQJGKHBQYZHI-CHWSQXEVSA-N 0 0 313.398 0.252 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)CC(F)(F)F)CC1=O ZINC000408365815 160092987 /nfs/dbraw/zinc/09/29/87/160092987.db2.gz IZVMWKPFQJIHJX-UHFFFAOYSA-N 0 0 302.318 0.679 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)CCN1CCO ZINC000408367793 160093303 /nfs/dbraw/zinc/09/33/03/160093303.db2.gz XUZPLENUASOOAL-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000408374727 160094704 /nfs/dbraw/zinc/09/47/04/160094704.db2.gz ITYOFIKJUUMPBC-HNNXBMFYSA-N 0 0 311.382 0.328 10 0 DCAERN O=S(=O)(c1cccnc1N1CC(CO)C1)N1CCCCC1 ZINC000408375842 160095046 /nfs/dbraw/zinc/09/50/46/160095046.db2.gz QEUASCOYSIWIEX-UHFFFAOYSA-N 0 0 311.407 0.685 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000408379023 160095289 /nfs/dbraw/zinc/09/52/89/160095289.db2.gz YDLOVSDARNRVOI-GXTWGEPZSA-N 0 0 309.410 0.713 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCNC(=O)C2)CCS1(=O)=O ZINC000408379371 160096116 /nfs/dbraw/zinc/09/61/16/160096116.db2.gz ZNHINSUELKQWPA-NSHDSACASA-N 0 0 316.423 0.328 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000408379867 160096180 /nfs/dbraw/zinc/09/61/80/160096180.db2.gz QEHZQNUGKWPZOI-JTQLQIEISA-N 0 0 307.306 0.357 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3nccn3C)C2)o1 ZINC000408387679 160097360 /nfs/dbraw/zinc/09/73/60/160097360.db2.gz XRSPJAAMMXKRAL-LBPRGKRZSA-N 0 0 324.406 0.999 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)CCC2CCOCC2)C1 ZINC000408386644 160097561 /nfs/dbraw/zinc/09/75/61/160097561.db2.gz QNDBDHNDNZHUAW-AWEZNQCLSA-N 0 0 318.439 0.733 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2CCC[C@H](C)C2)n1 ZINC000408390152 160098323 /nfs/dbraw/zinc/09/83/23/160098323.db2.gz RMCWTRVDBYGSRZ-WCFLWFBJSA-N 0 0 308.382 0.744 10 0 DCAERN C[C@@H](CN1CCOCC1)N(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408395880 160099890 /nfs/dbraw/zinc/09/98/90/160099890.db2.gz RMNNDVGXOIZSCJ-KBPBESRZSA-N 0 0 319.471 0.616 10 0 DCAERN CCC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000408453238 160112089 /nfs/dbraw/zinc/11/20/89/160112089.db2.gz PWRAYOMVYMKJCT-CYBMUJFWSA-N 0 0 322.405 0.843 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408460155 160112623 /nfs/dbraw/zinc/11/26/23/160112623.db2.gz MAXIGUSGPDNWSH-XDQVBPFNSA-N 0 0 320.455 0.271 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408459634 160112660 /nfs/dbraw/zinc/11/26/60/160112660.db2.gz JNCCRZPPVGIEBE-UTLUCORTSA-N 0 0 309.409 0.432 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(C)C(=O)C2(C)C)CCO1 ZINC000408461988 160113420 /nfs/dbraw/zinc/11/34/20/160113420.db2.gz XMLARFXSOONXTP-MNOVXSKESA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H]1NC(=O)N(CCN2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000408464395 160113774 /nfs/dbraw/zinc/11/37/74/160113774.db2.gz GCFMOASQIFRWFZ-KCJUWKMLSA-N 0 0 309.288 0.316 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000408472717 160115303 /nfs/dbraw/zinc/11/53/03/160115303.db2.gz WREMLKGNWXDKER-SDDRHHMPSA-N 0 0 324.343 0.869 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](CO)[C@@H]1CC ZINC000408471310 160115585 /nfs/dbraw/zinc/11/55/85/160115585.db2.gz WUVKOBOKOZHAQP-SDDRHHMPSA-N 0 0 300.424 0.917 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)no1 ZINC000081443012 286928786 /nfs/dbraw/zinc/92/87/86/286928786.db2.gz BVHYDGFIUHJRIV-SNVBAGLBSA-N 0 0 307.228 0.447 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)no1 ZINC000081443013 286928790 /nfs/dbraw/zinc/92/87/90/286928790.db2.gz BVHYDGFIUHJRIV-JTQLQIEISA-N 0 0 307.228 0.447 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000091414291 286936045 /nfs/dbraw/zinc/93/60/45/286936045.db2.gz DPAPWCAXFWCBCW-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1nncn1-c1ccccc1 ZINC000119463662 286948008 /nfs/dbraw/zinc/94/80/08/286948008.db2.gz LTXZKXBZGISYGD-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN CC(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000123206601 286959579 /nfs/dbraw/zinc/95/95/79/286959579.db2.gz ZADUYOAKYYLHQX-LLVKDONJSA-N 0 0 314.411 0.704 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)ccc1C ZINC000125345011 286966333 /nfs/dbraw/zinc/96/63/33/286966333.db2.gz ADEBVVKZWAPEOP-NSHDSACASA-N 0 0 303.362 0.843 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N(C)CC(=O)NC1CC1)C(C)C ZINC000127906866 286980116 /nfs/dbraw/zinc/98/01/16/286980116.db2.gz JHHUMPYJVNKOSO-HNNXBMFYSA-N 0 0 311.426 0.910 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)CC(=O)NC1CC1)C(C)C ZINC000127907087 286980132 /nfs/dbraw/zinc/98/01/32/286980132.db2.gz JHHUMPYJVNKOSO-OAHLLOKOSA-N 0 0 311.426 0.910 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000128794271 286984896 /nfs/dbraw/zinc/98/48/96/286984896.db2.gz RVJKAUKLAQIUMZ-HUUCEWRRSA-N 0 0 324.402 0.593 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCN1CCCC1=O ZINC000131659076 287001344 /nfs/dbraw/zinc/00/13/44/287001344.db2.gz BALAFWVKUGNPIM-UHFFFAOYSA-N 0 0 316.361 0.458 10 0 DCAERN CCc1noc(C)c1NC(=O)CN1CCN(CC)C(=O)C1=O ZINC000132692248 287006583 /nfs/dbraw/zinc/00/65/83/287006583.db2.gz ZFBLBJXBIWEMNE-UHFFFAOYSA-N 0 0 308.338 0.175 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)Cc1ccccc1 ZINC000133292397 287009786 /nfs/dbraw/zinc/00/97/86/287009786.db2.gz KPKGFVUIHSIGBC-ZDUSSCGKSA-N 0 0 324.406 0.772 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000134485510 287016343 /nfs/dbraw/zinc/01/63/43/287016343.db2.gz WLAOGRCNFMFDCD-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCOC1 ZINC000135064618 287019837 /nfs/dbraw/zinc/01/98/37/287019837.db2.gz LJXQDPZVMUGYKJ-DGCLKSJQSA-N 0 0 301.346 0.938 10 0 DCAERN CCCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000135506388 287022929 /nfs/dbraw/zinc/02/29/29/287022929.db2.gz FXWXQFXUTLHCIU-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000137130918 287027749 /nfs/dbraw/zinc/02/77/49/287027749.db2.gz BETPXIUCMUTYHU-PFHKOEEOSA-N 0 0 322.405 0.829 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000136761992 287027270 /nfs/dbraw/zinc/02/72/70/287027270.db2.gz IMRACCPEANVLMR-RYUDHWBXSA-N 0 0 312.414 0.588 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150734469 287030408 /nfs/dbraw/zinc/03/04/08/287030408.db2.gz YEESUNCTBXXXGS-NSHDSACASA-N 0 0 317.345 0.798 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H](C)Cn1cccn1 ZINC000151796535 287036079 /nfs/dbraw/zinc/03/60/79/287036079.db2.gz RWKHRPFPBMBSEE-GFCCVEGCSA-N 0 0 318.381 0.881 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152147362 287039114 /nfs/dbraw/zinc/03/91/14/287039114.db2.gz VRIMNAHNHOKHGO-CYBMUJFWSA-N 0 0 320.393 0.620 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3ncon3)cc2)O1 ZINC000152312793 287040469 /nfs/dbraw/zinc/04/04/69/287040469.db2.gz XQXMNDZKVUUVFB-RYUDHWBXSA-N 0 0 316.317 0.499 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153413763 287049781 /nfs/dbraw/zinc/04/97/81/287049781.db2.gz YLHYLKKUEOYLMB-JTQLQIEISA-N 0 0 318.308 0.592 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H](CCO)c1ccco1)N1CCOCC1 ZINC000187122220 287058599 /nfs/dbraw/zinc/05/85/99/287058599.db2.gz MKXXPSWPHDPACH-STQMWFEESA-N 0 0 311.382 0.723 10 0 DCAERN O=C(Nc1ccc2cc[nH]c2c1)C(=O)N1CCNC(=O)CC1 ZINC000193394011 287060852 /nfs/dbraw/zinc/06/08/52/287060852.db2.gz WQUDQECLFJARBS-UHFFFAOYSA-N 0 0 300.318 0.455 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)O)cc1 ZINC000228199965 287063389 /nfs/dbraw/zinc/06/33/89/287063389.db2.gz FNUVDVCQLWRLQV-NXEZZACHSA-N 0 0 300.380 0.484 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCOC(C)(C)C2)[C@H](C)CO1 ZINC000245559367 287070746 /nfs/dbraw/zinc/07/07/46/287070746.db2.gz UBWDEFNJJWELCX-UTUOFQBUSA-N 0 0 306.428 0.888 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)cnn1C ZINC000245627596 287071517 /nfs/dbraw/zinc/07/15/17/287071517.db2.gz GXFTXBSNUOTBFB-ZJUUUORDSA-N 0 0 302.400 0.172 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)S(=O)(=O)c1nc[nH]n1 ZINC000246048216 287075752 /nfs/dbraw/zinc/07/57/52/287075752.db2.gz ALXUWTQCIDKUFK-BBBLOLIVSA-N 0 0 300.384 0.471 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246073986 287076283 /nfs/dbraw/zinc/07/62/83/287076283.db2.gz FEDAOTLCVREPKO-RKDXNWHRSA-N 0 0 303.384 0.735 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CC(C)(C)C)[C@H](C)CO1 ZINC000246097091 287076834 /nfs/dbraw/zinc/07/68/34/287076834.db2.gz LJVGLGLHSRNTNK-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)C1 ZINC000246717851 287087218 /nfs/dbraw/zinc/08/72/18/287087218.db2.gz LEKFOSHYSBPLGA-NFAWXSAZSA-N 0 0 311.426 0.158 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000246719313 287087235 /nfs/dbraw/zinc/08/72/35/287087235.db2.gz UOYBSKCIKSUWDQ-IJLUTSLNSA-N 0 0 324.425 0.729 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949706 287089301 /nfs/dbraw/zinc/08/93/01/287089301.db2.gz CTLRSBFMSKRCIF-JHJVBQTASA-N 0 0 317.455 0.114 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248671813 287099503 /nfs/dbraw/zinc/09/95/03/287099503.db2.gz BKAMKLUOZDQIIN-IUCAKERBSA-N 0 0 302.318 0.715 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248449825 287097460 /nfs/dbraw/zinc/09/74/60/287097460.db2.gz FGOSYDSRFXKSKO-GEBUAUGYSA-N 0 0 316.467 0.855 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000248470661 287097634 /nfs/dbraw/zinc/09/76/34/287097634.db2.gz IDNWSZDKUJWGAD-RRRJYUKSSA-N 0 0 312.457 0.039 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248769898 287101639 /nfs/dbraw/zinc/10/16/39/287101639.db2.gz AFSIZDFHASRKHF-SRVKXCTJSA-N 0 0 304.412 0.847 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1)[C@H](C)CO ZINC000248860351 287102401 /nfs/dbraw/zinc/10/24/01/287102401.db2.gz XDJDEWIETGIHCP-GMTAPVOTSA-N 0 0 308.382 0.926 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000248916619 287103493 /nfs/dbraw/zinc/10/34/93/287103493.db2.gz JXHIYFAVLSXNNK-GARJFASQSA-N 0 0 304.412 0.483 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1)N1CCN(CCO)[C@H](C)C1 ZINC000249534079 287113051 /nfs/dbraw/zinc/11/30/51/287113051.db2.gz BXOYVEVLGVBIRF-HUUCEWRRSA-N 0 0 305.422 0.690 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000249832112 287118474 /nfs/dbraw/zinc/11/84/74/287118474.db2.gz USQSVFQYWBBWPU-JSGCOSHPSA-N 0 0 317.455 0.811 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C[C@@H](C)O1 ZINC000252466386 287120635 /nfs/dbraw/zinc/12/06/35/287120635.db2.gz YIMMUJDHYSYUFI-YVECIDJPSA-N 0 0 306.428 0.840 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000252692149 287120698 /nfs/dbraw/zinc/12/06/98/287120698.db2.gz RELBQPFYPLWPOL-YWVKMMECSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000253278772 287121265 /nfs/dbraw/zinc/12/12/65/287121265.db2.gz OQGXEBKJQVRXPI-DRZSPHRISA-N 0 0 306.366 0.457 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000354189326 287167760 /nfs/dbraw/zinc/16/77/60/287167760.db2.gz LSQIIWQXGAALGF-NZTAEXDXSA-N 0 0 318.439 0.634 10 0 DCAERN CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984047 287197057 /nfs/dbraw/zinc/19/70/57/287197057.db2.gz SSPMQEJOTKPBAB-ZIAGYGMSSA-N 0 0 306.472 0.710 10 0 DCAERN CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000356257628 287198318 /nfs/dbraw/zinc/19/83/18/287198318.db2.gz UCZKHXLSHBNDGY-RSUWNVLCSA-N 0 0 312.410 0.630 10 0 DCAERN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCN2CCOC[C@H]2C1 ZINC000375887056 287228514 /nfs/dbraw/zinc/22/85/14/287228514.db2.gz AZEPHUXCOAZESJ-ZBFHGGJFSA-N 0 0 315.373 0.723 10 0 DCAERN C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000251874948 685185500 /nfs/dbraw/zinc/18/55/00/685185500.db2.gz QURTZWUAZDZKCW-FRRDWIJNSA-N 0 0 302.440 0.800 10 0 DCAERN CS(=O)(=O)Nc1cccc(NS(=O)(=O)N2CCC2)c1 ZINC000408060695 287233216 /nfs/dbraw/zinc/23/32/16/287233216.db2.gz GUXGETINPMOZJA-UHFFFAOYSA-N 0 0 305.381 0.421 10 0 DCAERN CNC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 ZINC000007023931 415137050 /nfs/dbraw/zinc/13/70/50/415137050.db2.gz XGCFXHNBGHHQRL-GFCCVEGCSA-N 0 0 303.318 0.510 10 0 DCAERN C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCO1 ZINC000027905111 415174248 /nfs/dbraw/zinc/17/42/48/415174248.db2.gz SMHNJYYEXWCJOC-SCZZXKLOSA-N 0 0 318.420 0.622 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000268318580 415192197 /nfs/dbraw/zinc/19/21/97/415192197.db2.gz YXKSPTPXRAIZKZ-QMMMGPOBSA-N 0 0 304.306 0.370 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCCCS(C)(=O)=O ZINC000038048352 415194056 /nfs/dbraw/zinc/19/40/56/415194056.db2.gz YXXRIRPDTGAREO-UHFFFAOYSA-N 0 0 320.436 0.831 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccccc2N)C1 ZINC000342504658 415194172 /nfs/dbraw/zinc/19/41/72/415194172.db2.gz RSLBLRNJPASLQY-GFCCVEGCSA-N 0 0 311.407 0.758 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CC1CCC1)[C@@H](C)CO ZINC000332045106 415219801 /nfs/dbraw/zinc/21/98/01/415219801.db2.gz RSMVXDOVHLOASZ-GXFFZTMASA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(C)C ZINC000046421995 415258598 /nfs/dbraw/zinc/25/85/98/415258598.db2.gz CGSNIHGGLLVGDA-KGLIPLIRSA-N 0 0 319.409 0.722 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000274147057 415328271 /nfs/dbraw/zinc/32/82/71/415328271.db2.gz KKXCCKPTOLARPO-WDEREUQCSA-N 0 0 311.407 0.865 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)NCCc1c(C)nn(C)c1C ZINC000068521884 415393101 /nfs/dbraw/zinc/39/31/01/415393101.db2.gz GMXJJPRSENZMMD-ZDUSSCGKSA-N 0 0 309.414 0.923 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1cncn1 ZINC000067331400 415374556 /nfs/dbraw/zinc/37/45/56/415374556.db2.gz UGLXRSGYQLGAAG-CQSZACIVSA-N 0 0 315.377 0.484 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000068189028 415390006 /nfs/dbraw/zinc/39/00/06/415390006.db2.gz BDQIBRQCFLWDSF-ZDUSSCGKSA-N 0 0 324.425 0.494 10 0 DCAERN C[C@@H](NC(=O)N1CCc2cncnc2C1)[C@H](C)N1CCOCC1 ZINC000332843393 415491644 /nfs/dbraw/zinc/49/16/44/415491644.db2.gz OYPIODPHSCYEGI-OLZOCXBDSA-N 0 0 319.409 0.654 10 0 DCAERN CC[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)N1CCOCC1 ZINC000084218036 415492825 /nfs/dbraw/zinc/49/28/25/415492825.db2.gz ORGXZASVJMSGPT-ZIAGYGMSSA-N 0 0 322.409 0.815 10 0 DCAERN Cc1nnc2ccc(N(CC3CC3)C[C@@H]3CN(C)CCO3)nn12 ZINC000278857138 415500314 /nfs/dbraw/zinc/50/03/14/415500314.db2.gz XZDDBDNQIOFFCZ-AWEZNQCLSA-N 0 0 316.409 0.980 10 0 DCAERN COCCN1C[C@H](C(=O)NC[C@](C)(O)CCC(C)C)CC1=O ZINC000075130023 415437716 /nfs/dbraw/zinc/43/77/16/415437716.db2.gz PWHNYAFZTUWOQY-CZUORRHYSA-N 0 0 314.426 0.785 10 0 DCAERN NC(=O)[C@H]1CCCN1CC(=O)NCCN1CCc2ccccc21 ZINC000076571129 415455243 /nfs/dbraw/zinc/45/52/43/415455243.db2.gz VFXJMZDFGYLUMW-OAHLLOKOSA-N 0 0 316.405 0.115 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000343136384 415469806 /nfs/dbraw/zinc/46/98/06/415469806.db2.gz FQJKQJAYOYDYLE-QWRGUYRKSA-N 0 0 303.384 0.234 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]3CCO)C[C@@H]21 ZINC000332786873 415478242 /nfs/dbraw/zinc/47/82/42/415478242.db2.gz VDOFHIJHXBJHBS-LJISPDSOSA-N 0 0 311.426 0.652 10 0 DCAERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@@H](F)C[C@H]1CO ZINC000332898181 415507773 /nfs/dbraw/zinc/50/77/73/415507773.db2.gz YSQSFGSDWKHPRG-MEWQQHAOSA-N 0 0 315.389 0.794 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)C[C@@H](C)O1 ZINC000088793059 415517273 /nfs/dbraw/zinc/51/72/73/415517273.db2.gz VQVISRUCJGSBHT-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)O1 ZINC000333028277 415534303 /nfs/dbraw/zinc/53/43/03/415534303.db2.gz LLFXITZDUAEQPR-AGIUHOORSA-N 0 0 319.409 0.659 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(F)c2C)C1 ZINC000091414252 415537075 /nfs/dbraw/zinc/53/70/75/415537075.db2.gz MJETYWLKPREPFG-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN C[C@H]1CC(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@H](C)O1 ZINC000094083758 415549195 /nfs/dbraw/zinc/54/91/95/415549195.db2.gz ZZFRUABCUUQKMK-RYUDHWBXSA-N 0 0 320.393 0.799 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1CCO[C@H](C(=O)OC)C1 ZINC000103148402 415610154 /nfs/dbraw/zinc/61/01/54/415610154.db2.gz IBXHSVQRDZBDPB-HNNXBMFYSA-N 0 0 320.389 0.909 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)c2ccccc2)[nH]1 ZINC000103281268 415612186 /nfs/dbraw/zinc/61/21/86/415612186.db2.gz GCPPKSUKDDOMIH-JSGCOSHPSA-N 0 0 313.361 0.797 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCc4ccccc43)CC[C@@H]21 ZINC000286231939 415625982 /nfs/dbraw/zinc/62/59/82/415625982.db2.gz KLRUUAVRFYJTIE-ILXRZTDVSA-N 0 0 315.373 0.925 10 0 DCAERN Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000353759803 415648872 /nfs/dbraw/zinc/64/88/72/415648872.db2.gz GFEAODJRGXKXPV-MRXNPFEDSA-N 0 0 321.421 0.692 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194331 415582487 /nfs/dbraw/zinc/58/24/87/415582487.db2.gz SZQRQZBUFGHOBG-WRWGMCAJSA-N 0 0 314.407 0.630 10 0 DCAERN C[C@@H]1C[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CO1 ZINC000333463218 415655094 /nfs/dbraw/zinc/65/50/94/415655094.db2.gz QAGMORJRQYOQMU-NEPJUHHUSA-N 0 0 302.440 0.371 10 0 DCAERN O=C([C@H]1CCCO1)N(C1CC1)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000333506368 415669298 /nfs/dbraw/zinc/66/92/98/415669298.db2.gz DKQGHLDQGHFCEO-QLFBSQMISA-N 0 0 322.405 0.936 10 0 DCAERN O=C(CN1CCN(C(=O)C2CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333564769 415685634 /nfs/dbraw/zinc/68/56/34/415685634.db2.gz RBTNKUSXYIWSHD-LSDHHAIUSA-N 0 0 321.421 0.668 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1COC[C@@H]1OC ZINC000333714750 415722894 /nfs/dbraw/zinc/72/28/94/415722894.db2.gz HAYCZWOLGYSRNG-QCNOEVLYSA-N 0 0 316.423 0.464 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@@](C)(O)C2)C1 ZINC000333742794 415728522 /nfs/dbraw/zinc/72/85/22/415728522.db2.gz RPZSCZVYAXQIOM-SWLSCSKDSA-N 0 0 307.398 0.555 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333654490 415705239 /nfs/dbraw/zinc/70/52/39/415705239.db2.gz WHMWBGGAAHZCMX-SNVBAGLBSA-N 0 0 308.386 0.802 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112657735 415711105 /nfs/dbraw/zinc/71/11/05/415711105.db2.gz HFDDYYDPHUBEMX-SNVBAGLBSA-N 0 0 312.333 0.052 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1 ZINC000119498110 415744953 /nfs/dbraw/zinc/74/49/53/415744953.db2.gz PPPIGSWKYWBKRN-WNGYAQOMSA-N 0 0 306.428 0.481 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000118994292 415736060 /nfs/dbraw/zinc/73/60/60/415736060.db2.gz OKKBVQWYGMQVKE-RYUDHWBXSA-N 0 0 312.414 0.601 10 0 DCAERN O=C1CC2(CCCCC2)N(CCn2nc3ccccn3c2=O)N1 ZINC000333915462 415766091 /nfs/dbraw/zinc/76/60/91/415766091.db2.gz ZBQYAZZPPLAOQL-UHFFFAOYSA-N 0 0 315.377 0.936 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCNC[C@@H]1c1ccncc1 ZINC000333842604 415750366 /nfs/dbraw/zinc/75/03/66/415750366.db2.gz LNXJDXNNOIOCGX-UONOGXRCSA-N 0 0 311.407 0.537 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000120666228 415779055 /nfs/dbraw/zinc/77/90/55/415779055.db2.gz ZRIPBKXVNJFVRO-IINYFYTJSA-N 0 0 321.406 0.861 10 0 DCAERN CC(C)[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCCO1 ZINC000334077827 415800638 /nfs/dbraw/zinc/80/06/38/415800638.db2.gz KKDQEMRDTLTWAS-BFHYXJOUSA-N 0 0 323.397 0.675 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CCS1(=O)=O ZINC000121939620 415820895 /nfs/dbraw/zinc/82/08/95/415820895.db2.gz AWRKDELFOVYAGO-LLVKDONJSA-N 0 0 322.390 0.470 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000122023263 415820954 /nfs/dbraw/zinc/82/09/54/415820954.db2.gz OQAPFFUCJQUCTL-GXTWGEPZSA-N 0 0 306.410 0.897 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)CCCC1 ZINC000126582292 415877452 /nfs/dbraw/zinc/87/74/52/415877452.db2.gz YFKDQKYIQNFURK-GFCCVEGCSA-N 0 0 324.425 0.555 10 0 DCAERN CCn1ccnc1CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O ZINC000126713457 415879671 /nfs/dbraw/zinc/87/96/71/415879671.db2.gz GCZNPCHRUHFARQ-HNNXBMFYSA-N 0 0 316.365 0.994 10 0 DCAERN COc1cccc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000128276241 415898658 /nfs/dbraw/zinc/89/86/58/415898658.db2.gz JBAOGLOSOWZVDT-UHFFFAOYSA-N 0 0 324.344 0.925 10 0 DCAERN CSCCCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000128839316 415901385 /nfs/dbraw/zinc/90/13/85/415901385.db2.gz XLYXLYXNEZFWOV-UHFFFAOYSA-N 0 0 305.425 0.546 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c(=O)[nH]c1C ZINC000130884267 415925104 /nfs/dbraw/zinc/92/51/04/415925104.db2.gz YOIKAHCLEIKNLA-CABZTGNLSA-N 0 0 320.393 0.906 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)CN(C)C(=O)COC ZINC000131259906 415927258 /nfs/dbraw/zinc/92/72/58/415927258.db2.gz AVGUHMJFHLANCU-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN CN1C(=O)C[C@@H](N2CCO[C@]3(CCc4ccccc43)C2)C1=O ZINC000133604426 415948666 /nfs/dbraw/zinc/94/86/66/415948666.db2.gz OUOZUUXUOKJHBS-RHSMWYFYSA-N 0 0 300.358 0.918 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc(N3CCCC3)nn2)CCC1=O ZINC000133602067 415949506 /nfs/dbraw/zinc/94/95/06/415949506.db2.gz CALUIQVZARRDSI-LLVKDONJSA-N 0 0 303.366 0.427 10 0 DCAERN Cc1nc(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000133722279 415949721 /nfs/dbraw/zinc/94/97/21/415949721.db2.gz MGULPCYVWBXMMY-CQSZACIVSA-N 0 0 316.361 0.895 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000134272693 415955453 /nfs/dbraw/zinc/95/54/53/415955453.db2.gz KSYLRLDNKORFSD-RDDDGLTNSA-N 0 0 302.327 0.380 10 0 DCAERN CCc1cnccc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O ZINC000356667079 415969758 /nfs/dbraw/zinc/96/97/58/415969758.db2.gz FMGNYOLOURLBBQ-ZBINZKHDSA-N 0 0 305.378 0.803 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000153951173 415989591 /nfs/dbraw/zinc/98/95/91/415989591.db2.gz ILSZNAVUJCVWET-ZIAGYGMSSA-N 0 0 303.362 0.981 10 0 DCAERN COC(=O)C1(NC[C@H](O)CN2CCCC2=O)CCCCCC1 ZINC000154833735 415990869 /nfs/dbraw/zinc/99/08/69/415990869.db2.gz IMIWECPMIYPKSF-ZDUSSCGKSA-N 0 0 312.410 0.825 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)N[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000337694412 415997805 /nfs/dbraw/zinc/99/78/05/415997805.db2.gz AGCJJBAWVKJVJQ-SMDDNHRTSA-N 0 0 317.389 0.762 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000171837245 416041669 /nfs/dbraw/zinc/04/16/69/416041669.db2.gz VZPLQHQRKRCLBT-NSHDSACASA-N 0 0 322.365 0.781 10 0 DCAERN CCOC(=O)CCCS(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357200129 416044720 /nfs/dbraw/zinc/04/47/20/416044720.db2.gz IILPQRYPGHMWRO-LLVKDONJSA-N 0 0 320.411 0.212 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1nc2c(s1)COCC2 ZINC000172538252 416045706 /nfs/dbraw/zinc/04/57/06/416045706.db2.gz ODZRHDNZCULDDO-UHFFFAOYSA-N 0 0 318.358 0.979 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)C1 ZINC000172895060 416049841 /nfs/dbraw/zinc/04/98/41/416049841.db2.gz PLIKGSNFVMKGFM-JTQLQIEISA-N 0 0 315.399 0.147 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2ccccn2)[C@@H]2CCO[C@@H]21 ZINC000172864443 416050143 /nfs/dbraw/zinc/05/01/43/416050143.db2.gz KFVRSRRKCIOAHA-GDLCADMTSA-N 0 0 303.362 0.741 10 0 DCAERN Cn1cc([C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)cn1 ZINC000173162194 416054632 /nfs/dbraw/zinc/05/46/32/416054632.db2.gz UCYXHPVDMKHWRV-CYBMUJFWSA-N 0 0 313.423 0.966 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000173359090 416057437 /nfs/dbraw/zinc/05/74/37/416057437.db2.gz GQCHCBLNNAJTRF-ZDUSSCGKSA-N 0 0 316.427 0.479 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)CCO1 ZINC000357431836 416079976 /nfs/dbraw/zinc/07/99/76/416079976.db2.gz CKUOTVLPTOUAJT-TZMCWYRMSA-N 0 0 306.362 0.679 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3ncccc3O)C2)cn1 ZINC000173468739 416058696 /nfs/dbraw/zinc/05/86/96/416058696.db2.gz PTJPBBVOELOVKQ-LLVKDONJSA-N 0 0 301.350 0.920 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173565788 416061320 /nfs/dbraw/zinc/06/13/20/416061320.db2.gz GKCBIZMISSBCSZ-SNVBAGLBSA-N 0 0 309.370 0.183 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)[nH]1 ZINC000173600189 416061702 /nfs/dbraw/zinc/06/17/02/416061702.db2.gz XVTFATZPQPUGMU-GFCCVEGCSA-N 0 0 313.321 0.598 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)[nH]1 ZINC000173604229 416062639 /nfs/dbraw/zinc/06/26/39/416062639.db2.gz HBDLKACLPNJADU-VIFPVBQESA-N 0 0 322.756 0.957 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000173676755 416064222 /nfs/dbraw/zinc/06/42/22/416064222.db2.gz XVOVRESWVBIWFJ-QMMMGPOBSA-N 0 0 307.276 0.165 10 0 DCAERN CCCS(=O)(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173827160 416065686 /nfs/dbraw/zinc/06/56/86/416065686.db2.gz AHZLEGKQZCDFDL-UHFFFAOYSA-N 0 0 302.400 0.626 10 0 DCAERN O=C(NCCCn1cccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173783160 416066159 /nfs/dbraw/zinc/06/61/59/416066159.db2.gz XJOXNYKMTFSHCD-AWEZNQCLSA-N 0 0 307.398 0.389 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCN(C)C2=O)cccc1N1CCNC1=O ZINC000173869728 416068821 /nfs/dbraw/zinc/06/88/21/416068821.db2.gz OWENYRHODSRXJM-GFCCVEGCSA-N 0 0 316.361 0.485 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174001027 416071914 /nfs/dbraw/zinc/07/19/14/416071914.db2.gz YVQGNAMSGPCZGK-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000174502910 416080384 /nfs/dbraw/zinc/08/03/84/416080384.db2.gz KESVRVLRGRPCTF-VIFPVBQESA-N 0 0 318.370 0.903 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CC[C@H](O)C1 ZINC000300555237 416073141 /nfs/dbraw/zinc/07/31/41/416073141.db2.gz RVTQAIGDIVEXEC-YFKTTZPYSA-N 0 0 305.396 0.409 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174169768 416074167 /nfs/dbraw/zinc/07/41/67/416074167.db2.gz YLDVGPIXRFDDJQ-STQMWFEESA-N 0 0 320.397 0.636 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000158787677 416003643 /nfs/dbraw/zinc/00/36/43/416003643.db2.gz NMGDUBWNHBSORF-ZJUUUORDSA-N 0 0 321.420 0.385 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000344916639 416008002 /nfs/dbraw/zinc/00/80/02/416008002.db2.gz TWFRYXZGCPGCSX-UHFFFAOYSA-N 0 0 316.317 0.721 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000337793231 416011000 /nfs/dbraw/zinc/01/10/00/416011000.db2.gz BXTTZTYJATZGDF-WCQYABFASA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000170655736 416029217 /nfs/dbraw/zinc/02/92/17/416029217.db2.gz MLIXREFHKDNGRV-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccnnc2)no1 ZINC000357135228 416036490 /nfs/dbraw/zinc/03/64/90/416036490.db2.gz FWBPIZSKCIMEJY-RYUDHWBXSA-N 0 0 320.328 0.510 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000174748229 416085918 /nfs/dbraw/zinc/08/59/18/416085918.db2.gz RPZOKSHMVVHBGW-NSHDSACASA-N 0 0 312.288 0.007 10 0 DCAERN CCN(CC(=O)NC(C)C)c1ncc(S(N)(=O)=O)s1 ZINC000301724466 416090778 /nfs/dbraw/zinc/09/07/78/416090778.db2.gz LQHHMVQZIDCWDN-UHFFFAOYSA-N 0 0 306.413 0.141 10 0 DCAERN Cc1nc(N2CCN(c3cncc(C(N)=O)n3)CC2)sc1C ZINC000301797803 416092109 /nfs/dbraw/zinc/09/21/09/416092109.db2.gz AWHFOVWETWBXAX-UHFFFAOYSA-N 0 0 318.406 0.975 10 0 DCAERN NC(=O)c1cc(Cl)nnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175013510 416093486 /nfs/dbraw/zinc/09/34/86/416093486.db2.gz IDABKQUTKZCXPN-SECBINFHSA-N 0 0 313.789 0.488 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)c(F)c1 ZINC000357588719 416099913 /nfs/dbraw/zinc/09/99/13/416099913.db2.gz ZOUDLDLBFITAKI-VIFPVBQESA-N 0 0 309.297 0.495 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175266594 416101381 /nfs/dbraw/zinc/10/13/81/416101381.db2.gz DXOHROHOPLHYCN-CABCVRRESA-N 0 0 302.374 0.983 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000357608106 416104692 /nfs/dbraw/zinc/10/46/92/416104692.db2.gz PSNWFBGDPUJDTO-BPLDGKMQSA-N 0 0 318.373 0.998 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@](O)(CO)C1 ZINC000313669887 416108928 /nfs/dbraw/zinc/10/89/28/416108928.db2.gz UVPQDVQXNYOMLP-ZDUSSCGKSA-N 0 0 303.355 0.475 10 0 DCAERN CCN(CC)C(=O)CN(C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000175507307 416109674 /nfs/dbraw/zinc/10/96/74/416109674.db2.gz MIYNMSZGJWILQB-ZDUSSCGKSA-N 0 0 321.425 0.634 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2CCOCC2)C[C@@H]1N1CCOCC1 ZINC000175735026 416112527 /nfs/dbraw/zinc/11/25/27/416112527.db2.gz CDYOMAVYYWZIQN-HIFRSBDPSA-N 0 0 311.426 0.775 10 0 DCAERN COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000175749735 416112686 /nfs/dbraw/zinc/11/26/86/416112686.db2.gz SGASFFRERCJLEL-GFCCVEGCSA-N 0 0 310.402 0.299 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000175839220 416113801 /nfs/dbraw/zinc/11/38/01/416113801.db2.gz TXDBXROCASRAPI-AWEZNQCLSA-N 0 0 319.405 0.978 10 0 DCAERN COC[C@@H](CO)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000357710336 416120016 /nfs/dbraw/zinc/12/00/16/416120016.db2.gz RXXXARDEMYXONA-PBHICJAKSA-N 0 0 320.389 0.805 10 0 DCAERN CCC(=O)N1CC[C@H](Nc2nccc(N[C@@H]3CCCOC3)n2)C1 ZINC000328622264 416122692 /nfs/dbraw/zinc/12/26/92/416122692.db2.gz BAYSDVLPFNGAMN-QWHCGFSZSA-N 0 0 319.409 1.490 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000176291028 416124597 /nfs/dbraw/zinc/12/45/97/416124597.db2.gz DZPGCWICFXKGQT-CFRMROPGSA-N 0 0 304.346 0.811 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)N[C@@H]1CCCn2ncnc21 ZINC000176366788 416124730 /nfs/dbraw/zinc/12/47/30/416124730.db2.gz JGFOMJAKAUBZER-CHWSQXEVSA-N 0 0 323.397 0.998 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCCCCOC(C)C)C1 ZINC000357754414 416128397 /nfs/dbraw/zinc/12/83/97/416128397.db2.gz MDPLPBRKJFJBKO-STQMWFEESA-N 0 0 300.399 0.992 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176587052 416130019 /nfs/dbraw/zinc/13/00/19/416130019.db2.gz CRRJWDZLSAUBPQ-NEPJUHHUSA-N 0 0 311.386 0.446 10 0 DCAERN CCn1ncnc1CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000357942091 416157091 /nfs/dbraw/zinc/15/70/91/416157091.db2.gz JRUOVLDGDLDJSX-LLVKDONJSA-N 0 0 301.350 0.733 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCN1CCOCC1 ZINC000177300095 416144448 /nfs/dbraw/zinc/14/44/48/416144448.db2.gz ULHRXTRIZWKOMM-GFCCVEGCSA-N 0 0 308.386 0.053 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H](C)CCCO)CC2)n1 ZINC000177705859 416149752 /nfs/dbraw/zinc/14/97/52/416149752.db2.gz BEYQQHJGYBMPLL-GFCCVEGCSA-N 0 0 322.409 0.979 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000177652956 416150410 /nfs/dbraw/zinc/15/04/10/416150410.db2.gz LDXJOCGJFOVQJP-SNVBAGLBSA-N 0 0 302.338 0.374 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000177648536 416150509 /nfs/dbraw/zinc/15/05/09/416150509.db2.gz UKEGVXMVCFLQCJ-RBKKPWLPSA-N 0 0 324.425 0.593 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)[C@H](C)C1 ZINC000357917757 416152144 /nfs/dbraw/zinc/15/21/44/416152144.db2.gz BCPXMUGVMXXQFY-CHWSQXEVSA-N 0 0 317.389 0.884 10 0 DCAERN Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C)n1 ZINC000177826629 416153096 /nfs/dbraw/zinc/15/30/96/416153096.db2.gz XCSSSSJNSHBRIS-UHFFFAOYSA-N 0 0 313.361 0.921 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@@H](O)C1 ZINC000174585403 416081507 /nfs/dbraw/zinc/08/15/07/416081507.db2.gz AUMMUIZWLNDQKS-GHMZBOCLSA-N 0 0 310.300 0.911 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000178683833 416169106 /nfs/dbraw/zinc/16/91/06/416169106.db2.gz RAUYCMPKFXOVLE-LBPRGKRZSA-N 0 0 306.366 0.355 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178699880 416169164 /nfs/dbraw/zinc/16/91/64/416169164.db2.gz ANIYFVLVPMBTIN-GDBMZVCRSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1c(C)oc2ncn(C)c(=O)c21)C(C)C ZINC000178862705 416174808 /nfs/dbraw/zinc/17/48/08/416174808.db2.gz MMBAVGBTQSREII-LLVKDONJSA-N 0 0 320.349 0.335 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000345981182 416178492 /nfs/dbraw/zinc/17/84/92/416178492.db2.gz SRXQJNBRMHOZPM-CYBMUJFWSA-N 0 0 304.350 0.733 10 0 DCAERN COCc1ccsc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000182898841 416233446 /nfs/dbraw/zinc/23/34/46/416233446.db2.gz GHMHQNUMWOJJRZ-JTQLQIEISA-N 0 0 312.391 0.560 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1cc(CCOC)nn1C)C(C)C ZINC000178969358 416179288 /nfs/dbraw/zinc/17/92/88/416179288.db2.gz ACWRSXLPJCDBFD-LBPRGKRZSA-N 0 0 311.386 0.501 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1C ZINC000178957227 416179384 /nfs/dbraw/zinc/17/93/84/416179384.db2.gz OGIZTTZGOCCYSS-AWEZNQCLSA-N 0 0 316.405 0.358 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178958570 416179443 /nfs/dbraw/zinc/17/94/43/416179443.db2.gz BDAXTODQOXHJIP-CQSZACIVSA-N 0 0 316.405 0.304 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000179155766 416182128 /nfs/dbraw/zinc/18/21/28/416182128.db2.gz WHEVYWSMAHIIMV-GFCCVEGCSA-N 0 0 305.382 0.364 10 0 DCAERN COc1n[nH]c(NC(=O)CCn2cnc3ccccc3c2=O)n1 ZINC000179360645 416185855 /nfs/dbraw/zinc/18/58/55/416185855.db2.gz GGVCXERAUNHDDA-UHFFFAOYSA-N 0 0 314.305 0.552 10 0 DCAERN CCCNC(=O)[C@H](C)[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180250680 416195720 /nfs/dbraw/zinc/19/57/20/416195720.db2.gz QLIVGWOHNGCZOP-WPCRTTGESA-N 0 0 304.441 0.768 10 0 DCAERN C[C@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000180707571 416199196 /nfs/dbraw/zinc/19/91/96/416199196.db2.gz RQRRFYLZNIOCSM-RYUDHWBXSA-N 0 0 323.359 0.708 10 0 DCAERN O=C(NCCc1cn[nH]c1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000358195311 416209560 /nfs/dbraw/zinc/20/95/60/416209560.db2.gz LMZLVBQMIUFWCI-UHFFFAOYSA-N 0 0 305.260 0.326 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NCc2nccn2CC(C)C)CCO1 ZINC000181643297 416210123 /nfs/dbraw/zinc/21/01/23/416210123.db2.gz FYHLSYIPQOFGNG-LBPRGKRZSA-N 0 0 323.397 0.196 10 0 DCAERN O=C(CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)NCC1CC1 ZINC000182040563 416214569 /nfs/dbraw/zinc/21/45/69/416214569.db2.gz ADXJOHVDAYIORA-XJKSGUPXSA-N 0 0 309.410 0.849 10 0 DCAERN COc1ccc(CN2C[C@@H](C(=O)N3CCCN3)CC2=O)cc1 ZINC000182980615 416234677 /nfs/dbraw/zinc/23/46/77/416234677.db2.gz KTCLUQDEYZAMOK-ZDUSSCGKSA-N 0 0 303.362 0.781 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1nc[nH]n1 ZINC000182392726 416221089 /nfs/dbraw/zinc/22/10/89/416221089.db2.gz UAWKEAOWBBJAPS-WDEREUQCSA-N 0 0 316.369 0.624 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@@H]1CN1CCOCC1 ZINC000182464350 416222431 /nfs/dbraw/zinc/22/24/31/416222431.db2.gz YWDXARSRLRCVAS-CQSZACIVSA-N 0 0 322.413 0.174 10 0 DCAERN CC(C)(C)OC(=O)N1CC(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000182425274 416222696 /nfs/dbraw/zinc/22/26/96/416222696.db2.gz FYRLMXPIUBNCEC-NSHDSACASA-N 0 0 321.381 0.576 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccnc(N(C)C)n1 ZINC000330654210 416224246 /nfs/dbraw/zinc/22/42/46/416224246.db2.gz JVQZUFRGZWXCET-LLVKDONJSA-N 0 0 309.395 0.080 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@H]1CCCn2ncnc21 ZINC000183051382 416234895 /nfs/dbraw/zinc/23/48/95/416234895.db2.gz HGFPPQWKZKVWGU-LBPRGKRZSA-N 0 0 311.345 0.967 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)NC[C@@H](CO)C1CC1 ZINC000358365161 416229895 /nfs/dbraw/zinc/22/98/95/416229895.db2.gz ZKLYMVCRZLHICS-NWDGAFQWSA-N 0 0 302.440 0.769 10 0 DCAERN CCOCCN(C)C(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC000357959429 416159620 /nfs/dbraw/zinc/15/96/20/416159620.db2.gz MNNPOWIHLHYLRX-CQSZACIVSA-N 0 0 308.378 0.985 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@H](C)CO)CC2)n1 ZINC000178589309 416165755 /nfs/dbraw/zinc/16/57/55/416165755.db2.gz BNMCFEXDFLPSBR-NSHDSACASA-N 0 0 308.382 0.446 10 0 DCAERN C[S@](=O)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 ZINC000183539565 416245349 /nfs/dbraw/zinc/24/53/49/416245349.db2.gz VAJHQVLNTUJRMY-QFIPXVFZSA-N 0 0 321.406 0.905 10 0 DCAERN Cc1nc(CN(C)C(=O)c2cccc(OCC(N)=O)c2)no1 ZINC000358505097 416245617 /nfs/dbraw/zinc/24/56/17/416245617.db2.gz CZHYFDFGGOBQRR-UHFFFAOYSA-N 0 0 304.306 0.514 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnns1 ZINC000183738974 416250322 /nfs/dbraw/zinc/25/03/22/416250322.db2.gz HEDZNTFQMHBQRF-UHFFFAOYSA-N 0 0 323.353 0.839 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C)(CO)CC1)CC2 ZINC000184730282 416252278 /nfs/dbraw/zinc/25/22/78/416252278.db2.gz BSBNFRRJVUYSBB-LBPRGKRZSA-N 0 0 321.425 0.959 10 0 DCAERN Cc1ccc(NCCCNC(=O)NC[C@H](CO)C2CC2)nc1 ZINC000358560522 416252906 /nfs/dbraw/zinc/25/29/06/416252906.db2.gz SYUVFNPFAHNJRN-CQSZACIVSA-N 0 0 306.410 1.510 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000185413987 416253537 /nfs/dbraw/zinc/25/35/37/416253537.db2.gz JYLRHVRJTNDIIC-UKRRQHHQSA-N 0 0 317.389 0.947 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCS1(=O)=O ZINC000185798670 416254372 /nfs/dbraw/zinc/25/43/72/416254372.db2.gz XDHYPTPPKPLXKB-SNVBAGLBSA-N 0 0 320.374 0.731 10 0 DCAERN C[C@@H](NC(=O)CN(C)CC1(CO)CC1)C(=O)N1CCCCC1 ZINC000186789330 416259257 /nfs/dbraw/zinc/25/92/57/416259257.db2.gz PJFYGRZQMSMKKL-CYBMUJFWSA-N 0 0 311.426 0.208 10 0 DCAERN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000358619174 416261317 /nfs/dbraw/zinc/26/13/17/416261317.db2.gz YXNFLSLSXQTQMF-SCDSUCTJSA-N 0 0 322.409 0.697 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2nccn2C)no1 ZINC000358665656 416263991 /nfs/dbraw/zinc/26/39/91/416263991.db2.gz RPDIBTNHVGJGAA-UHFFFAOYSA-N 0 0 321.337 0.929 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000331129578 416270546 /nfs/dbraw/zinc/27/05/46/416270546.db2.gz RTBKQRHUAAFGKW-SSDOTTSWSA-N 0 0 305.260 0.451 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)CCOCCOC)C1 ZINC000358814096 416278544 /nfs/dbraw/zinc/27/85/44/416278544.db2.gz TXQZQVVVULFKRF-GFCCVEGCSA-N 0 0 316.402 0.095 10 0 DCAERN C[C@H](CNC(=O)NCc1cc(C(N)=O)co1)Cn1cccn1 ZINC000190394030 416277582 /nfs/dbraw/zinc/27/75/82/416277582.db2.gz BEIHAFKOVZXGSU-SNVBAGLBSA-N 0 0 305.338 0.711 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)NC[C@H](CO)C2CC2)cn1 ZINC000359046124 416301556 /nfs/dbraw/zinc/30/15/56/416301556.db2.gz SNGHNNQOXIKLQN-CYBMUJFWSA-N 0 0 306.366 0.858 10 0 DCAERN COc1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1O ZINC000359076750 416306041 /nfs/dbraw/zinc/30/60/41/416306041.db2.gz AXPCHEATAFIYGB-INIZCTEOSA-N 0 0 318.329 0.952 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193030682 416313108 /nfs/dbraw/zinc/31/31/08/416313108.db2.gz IKLSAGPFLDSKPV-LLVKDONJSA-N 0 0 324.768 0.801 10 0 DCAERN O=C(CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1)NCC1CC1 ZINC000193264806 416314816 /nfs/dbraw/zinc/31/48/16/416314816.db2.gz AVWNLCYAPZSSSS-UHFFFAOYSA-N 0 0 314.345 0.749 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000193925391 416320668 /nfs/dbraw/zinc/32/06/68/416320668.db2.gz VFXJOMXHVRVIHC-DTWKUNHWSA-N 0 0 308.313 0.272 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)C[C@@H]3CCCC[C@@H]3O)C2)C1=O ZINC000342154677 416287685 /nfs/dbraw/zinc/28/76/85/416287685.db2.gz IQJKBOKPEFNQQF-PGUXBMHVSA-N 0 0 309.366 0.080 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CCOC)C1 ZINC000358888822 416289327 /nfs/dbraw/zinc/28/93/27/416289327.db2.gz MTZVNKVJJCJYAJ-NEPJUHHUSA-N 0 0 313.398 0.045 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C[C@H]1O ZINC000359382237 416344728 /nfs/dbraw/zinc/34/47/28/416344728.db2.gz DAJZUVOVGFYRQR-ZWNOBZJWSA-N 0 0 304.346 0.789 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000194270948 416323039 /nfs/dbraw/zinc/32/30/39/416323039.db2.gz LVKBVJDTMRHTER-UKRRQHHQSA-N 0 0 319.405 0.871 10 0 DCAERN Cc1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)on1 ZINC000194217293 416323093 /nfs/dbraw/zinc/32/30/93/416323093.db2.gz RWXFQCLGJHTNJM-UHFFFAOYSA-N 0 0 313.321 0.383 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000194658452 416324366 /nfs/dbraw/zinc/32/43/66/416324366.db2.gz KTDOVAISFQQQQF-CQSZACIVSA-N 0 0 310.442 0.981 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000195183146 416325302 /nfs/dbraw/zinc/32/53/02/416325302.db2.gz JQEVCQIIYMYQHG-LBPRGKRZSA-N 0 0 315.333 0.830 10 0 DCAERN C[C@@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)[C@H]1CCCO1 ZINC000195166617 416325532 /nfs/dbraw/zinc/32/55/32/416325532.db2.gz RQPNIOXAWKBYJU-ZWNOBZJWSA-N 0 0 312.391 0.772 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H](C)OC)C[C@@H]1C ZINC000195264583 416325623 /nfs/dbraw/zinc/32/56/23/416325623.db2.gz RMAWHYOGGWNMQC-QWHCGFSZSA-N 0 0 308.444 0.394 10 0 DCAERN Cc1csc([C@H]2CN(CCCC(=O)NC(N)=O)CCO2)n1 ZINC000195396639 416326055 /nfs/dbraw/zinc/32/60/55/416326055.db2.gz JSPORNGVTVTTTG-SNVBAGLBSA-N 0 0 312.395 0.800 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1COCCN1)c1ccc(Cl)cc1 ZINC000237726995 416328560 /nfs/dbraw/zinc/32/85/60/416328560.db2.gz NXWYTADTJUIJJE-LBPRGKRZSA-N 0 0 311.769 0.174 10 0 DCAERN CS[C@H](C)CNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000360118880 416371449 /nfs/dbraw/zinc/37/14/49/416371449.db2.gz RUUNZVVRNRELLL-ZJUUUORDSA-N 0 0 306.453 0.181 10 0 DCAERN COC(=O)COc1cccc(C(=O)NC[C@H](CO)C2CC2)c1 ZINC000359814762 416360356 /nfs/dbraw/zinc/36/03/56/416360356.db2.gz ALKYTENQOVGWBI-CYBMUJFWSA-N 0 0 307.346 0.987 10 0 DCAERN O=C(CNS(=O)(=O)c1ccccc1)NC[C@@H](CO)C1CC1 ZINC000359822340 416361042 /nfs/dbraw/zinc/36/10/42/416361042.db2.gz MKZPYYUFAAAGNH-LBPRGKRZSA-N 0 0 312.391 0.100 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000360308136 416385170 /nfs/dbraw/zinc/38/51/70/416385170.db2.gz HGTWYBKDLJGPSF-KXUCPTDWSA-N 0 0 320.336 0.994 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCN3CCOC[C@@H]3C2)cnn1C ZINC000360313653 416385445 /nfs/dbraw/zinc/38/54/45/416385445.db2.gz LQSGWTHZKKTEGR-AAEUAGOBSA-N 0 0 307.398 0.516 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N[C@H](CO)C(C)C)no1 ZINC000360438923 416390469 /nfs/dbraw/zinc/39/04/69/416390469.db2.gz UEPGDFLNJJVNQX-NXEZZACHSA-N 0 0 300.359 0.983 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CC(=O)N(C)C1 ZINC000360471237 416391680 /nfs/dbraw/zinc/39/16/80/416391680.db2.gz ZCMOTIRWHWJWLR-AWEZNQCLSA-N 0 0 316.405 0.455 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@@H]1CCCNC1=O ZINC000361613772 416461395 /nfs/dbraw/zinc/46/13/95/416461395.db2.gz QLAUJXQFZMDNGV-VXGBXAGGSA-N 0 0 318.381 0.023 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)CCCCCO)C1 ZINC000434283233 416466934 /nfs/dbraw/zinc/46/69/34/416466934.db2.gz ZISIOOUZQCUPTG-GFCCVEGCSA-N 0 0 300.403 0.594 10 0 DCAERN O=S(=O)(c1ccco1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616343 416477098 /nfs/dbraw/zinc/47/70/98/416477098.db2.gz HUXAWUWWGUFSGG-QJPTWQEYSA-N 0 0 301.364 0.830 10 0 DCAERN CC(C)n1cc([C@@]2(O)CCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC000583616272 416477201 /nfs/dbraw/zinc/47/72/01/416477201.db2.gz BAEDCWUMBNSPRN-CYBMUJFWSA-N 0 0 314.411 0.492 10 0 DCAERN C[C@H](CNC(=O)N1CCC(c2ncc[nH]2)CC1)S(C)(=O)=O ZINC000533130079 416478487 /nfs/dbraw/zinc/47/84/87/416478487.db2.gz ITGBVOGDUFCEMG-SNVBAGLBSA-N 0 0 314.411 0.732 10 0 DCAERN O=C(CN1CC[C@](O)(c2cn[nH]n2)C1)NCCC1CCCCC1 ZINC000583618423 416478788 /nfs/dbraw/zinc/47/87/88/416478788.db2.gz VGYDSWPRFUYCEO-MRXNPFEDSA-N 0 0 321.425 0.785 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1)C1CC1 ZINC000583615656 416479368 /nfs/dbraw/zinc/47/93/68/416479368.db2.gz YQQYOWDKZHMPKO-OLZOCXBDSA-N 0 0 307.398 0.833 10 0 DCAERN O=C(CN1CC[C@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618293 416479379 /nfs/dbraw/zinc/47/93/79/416479379.db2.gz LCMLQZRKHLTNGC-OAHLLOKOSA-N 0 0 319.340 0.154 10 0 DCAERN O=C(NC[C@H]1COCCO1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361037971 416419072 /nfs/dbraw/zinc/41/90/72/416419072.db2.gz NTUJLWRDAXWOLF-GXSJLCMTSA-N 0 0 312.288 0.501 10 0 DCAERN COC(=O)[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000361087982 416420473 /nfs/dbraw/zinc/42/04/73/416420473.db2.gz WHPGBPZNSYULSD-TVQRCGJNSA-N 0 0 312.391 0.936 10 0 DCAERN COC(=O)[C@H]1CCCN(c2ncc(S(N)(=O)=O)s2)C1 ZINC000361190706 416424479 /nfs/dbraw/zinc/42/44/79/416424479.db2.gz ZQWJTMNRJGJMSE-ZETCQYMHSA-N 0 0 305.381 0.180 10 0 DCAERN CN1CN(Cc2ccccc2OCC(=O)NCC2CC2)CC1=O ZINC000361259631 416427979 /nfs/dbraw/zinc/42/79/79/416427979.db2.gz CRHQRVNAXJPXAZ-UHFFFAOYSA-N 0 0 317.389 0.823 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000361512475 416443361 /nfs/dbraw/zinc/44/33/61/416443361.db2.gz ZDBWTKVWEYWCBC-SRVKXCTJSA-N 0 0 323.397 0.862 10 0 DCAERN C/C=C\C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OCC ZINC000361548583 416446527 /nfs/dbraw/zinc/44/65/27/416446527.db2.gz ZRONDOGBBGWNOQ-KTLBGCOUSA-N 0 0 305.334 0.808 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000535598476 416524246 /nfs/dbraw/zinc/52/42/46/416524246.db2.gz PHLYJJJXTSAUNT-NSHDSACASA-N 0 0 313.398 0.886 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000361921287 416524699 /nfs/dbraw/zinc/52/46/99/416524699.db2.gz AYLCKOTYBFJKCS-JQWIXIFHSA-N 0 0 308.382 0.711 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000361921289 416524706 /nfs/dbraw/zinc/52/47/06/416524706.db2.gz AYLCKOTYBFJKCS-PWSUYJOCSA-N 0 0 308.382 0.711 10 0 DCAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000535713672 416526756 /nfs/dbraw/zinc/52/67/56/416526756.db2.gz MEEWRXUKVSHEFM-JTQLQIEISA-N 0 0 315.333 0.928 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459264212 416528109 /nfs/dbraw/zinc/52/81/09/416528109.db2.gz ZIMSIJXCIHTLSN-WISYIIOYSA-N 0 0 313.398 0.786 10 0 DCAERN COCC[C@H](NC(=O)c1cn(C)c2ccc(F)cc12)C(N)=O ZINC000435810679 416537329 /nfs/dbraw/zinc/53/73/29/416537329.db2.gz UNZJLLZELXSJSY-LBPRGKRZSA-N 0 0 307.325 0.938 10 0 DCAERN CCOc1cc(F)ccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459370213 416537603 /nfs/dbraw/zinc/53/76/03/416537603.db2.gz XIGNOCFHDZUKSM-NSHDSACASA-N 0 0 323.328 0.999 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N(C)Cc1nnnn1C ZINC000536309197 416539181 /nfs/dbraw/zinc/53/91/81/416539181.db2.gz FZKOQKDOBDAKCH-UHFFFAOYSA-N 0 0 300.326 0.142 10 0 DCAERN CS(=O)(=O)NCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361982333 416539397 /nfs/dbraw/zinc/53/93/97/416539397.db2.gz DWMYVWVUFFOERT-AWEZNQCLSA-N 0 0 314.407 0.315 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CC[C@@H](NC(N)=O)C2)n1 ZINC000536526395 416540141 /nfs/dbraw/zinc/54/01/41/416540141.db2.gz XMPOYDIZLBHULS-ZCFIWIBFSA-N 0 0 315.786 0.735 10 0 DCAERN NC(=O)NC(=O)CCN1CCO[C@H](COc2ccccc2)C1 ZINC000361984546 416540531 /nfs/dbraw/zinc/54/05/31/416540531.db2.gz KMQRLESAEZXNIE-ZDUSSCGKSA-N 0 0 307.350 0.351 10 0 DCAERN Cc1cc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc2n[nH]cc21 ZINC000459479060 416544501 /nfs/dbraw/zinc/54/45/01/416544501.db2.gz JJWRLXRYBGWCKC-LLVKDONJSA-N 0 0 315.337 0.645 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC(CCO)C1 ZINC000537216278 416554287 /nfs/dbraw/zinc/55/42/87/416554287.db2.gz LIQGYWSVCOYHKN-MRXNPFEDSA-N 0 0 302.374 0.801 10 0 DCAERN CCn1nc(C)c(CNC(=O)N2CC[C@@H](NC(N)=O)C2)c1C ZINC000534224530 416495579 /nfs/dbraw/zinc/49/55/79/416495579.db2.gz LLNPOTNHNFEMQI-LLVKDONJSA-N 0 0 308.386 0.472 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCSC[C@H]2CCO)on1 ZINC000534316058 416499253 /nfs/dbraw/zinc/49/92/53/416499253.db2.gz ITOSWCDSVUWADZ-SNVBAGLBSA-N 0 0 306.409 0.613 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)Nc2cccc3c2CCO3)n1 ZINC000361889458 416516184 /nfs/dbraw/zinc/51/61/84/416516184.db2.gz QBJAILTVEOMLDR-UHFFFAOYSA-N 0 0 300.318 0.610 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NCCCCO)no2)CCCC1 ZINC000435313473 416517272 /nfs/dbraw/zinc/51/72/72/416517272.db2.gz ISANQRIWNNOVCO-UHFFFAOYSA-N 0 0 309.366 1.334 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](COC)c1ccc(F)cc1 ZINC000435360328 416519025 /nfs/dbraw/zinc/51/90/25/416519025.db2.gz DIDUTYPCIXOUSB-NSHDSACASA-N 0 0 304.343 0.179 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)NCCn1cnccc1=O ZINC000585238047 416520182 /nfs/dbraw/zinc/52/01/82/416520182.db2.gz GZMGKGCUWDUYIP-LLVKDONJSA-N 0 0 305.309 0.966 10 0 DCAERN COc1cc(NC(=O)[C@H](NS(C)(=O)=O)C(C)C)ccc1O ZINC000438110894 416593257 /nfs/dbraw/zinc/59/32/57/416593257.db2.gz RTUZQUXAHDERDR-GFCCVEGCSA-N 0 0 316.379 0.913 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000439250064 416610103 /nfs/dbraw/zinc/61/01/03/416610103.db2.gz TUJHSRRMLVOABF-VXGBXAGGSA-N 0 0 312.391 0.501 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1O ZINC000436716761 416568130 /nfs/dbraw/zinc/56/81/30/416568130.db2.gz QWWRIGPSFMMNGG-MNOVXSKESA-N 0 0 322.361 0.887 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ccnc(C(C)C)n1 ZINC000362670683 416569228 /nfs/dbraw/zinc/56/92/28/416569228.db2.gz WOWBBQRADAMTHC-WDEREUQCSA-N 0 0 308.382 1.468 10 0 DCAERN O=C(Nc1nnc(C(F)F)s1)N1CCN2CCOC[C@H]2C1 ZINC000363869189 416576962 /nfs/dbraw/zinc/57/69/62/416576962.db2.gz QPIQGBDVUJYPHB-SSDOTTSWSA-N 0 0 319.337 1.024 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000546817373 416677996 /nfs/dbraw/zinc/67/79/96/416677996.db2.gz BLAIQKPPVPIPOT-LLVKDONJSA-N 0 0 316.365 1.252 10 0 DCAERN O=C(c1ccc(NC2CC2)nc1)N1CCN2CCOC[C@H]2C1 ZINC000542684877 416627870 /nfs/dbraw/zinc/62/78/70/416627870.db2.gz ICSAYGABFRSVQF-CQSZACIVSA-N 0 0 302.378 0.813 10 0 DCAERN O=C(NCCOc1ncccc1F)N1CCN2CCOC[C@H]2C1 ZINC000542737501 416630257 /nfs/dbraw/zinc/63/02/57/416630257.db2.gz BAEHGRYMQKXPOU-GFCCVEGCSA-N 0 0 324.356 0.326 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1C[C@H](F)C[C@H]1CO ZINC000366668373 416635860 /nfs/dbraw/zinc/63/58/60/416635860.db2.gz WRCPBWRKOLVKHH-XKSSXDPKSA-N 0 0 315.374 0.420 10 0 DCAERN C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)S(C)(=O)=O ZINC000543366607 416638561 /nfs/dbraw/zinc/63/85/61/416638561.db2.gz VLCWZVBWQORIGQ-QMMMGPOBSA-N 0 0 303.388 0.588 10 0 DCAERN C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)S(C)(=O)=O ZINC000543366606 416639394 /nfs/dbraw/zinc/63/93/94/416639394.db2.gz VLCWZVBWQORIGQ-MRVPVSSYSA-N 0 0 303.388 0.588 10 0 DCAERN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)Nc1cccnn1 ZINC000367232707 416644551 /nfs/dbraw/zinc/64/45/51/416644551.db2.gz UWNXHXNQRLXIRT-WCQYABFASA-N 0 0 306.366 1.166 10 0 DCAERN C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000544210301 416653491 /nfs/dbraw/zinc/65/34/91/416653491.db2.gz AORMIBDWMVFEAS-MNOVXSKESA-N 0 0 323.397 0.591 10 0 DCAERN c1cn2nc(N[C@@H]3CCN(Cc4csnn4)C3)ccc2n1 ZINC000548022436 416684334 /nfs/dbraw/zinc/68/43/34/416684334.db2.gz PLQHURSXAFUEHG-SNVBAGLBSA-N 0 0 301.379 1.267 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000545216766 416667166 /nfs/dbraw/zinc/66/71/66/416667166.db2.gz KDQZNIHRAVBNLF-YJNKXOJESA-N 0 0 303.399 0.015 10 0 DCAERN COc1cccc(CCNC(=O)N2CCCN(C(C)=O)CC2)n1 ZINC000441447286 416672544 /nfs/dbraw/zinc/67/25/44/416672544.db2.gz ZQQSCGJDFVGUSA-UHFFFAOYSA-N 0 0 320.393 0.897 10 0 DCAERN NC(=O)Cc1ccc(NC(=O)C(=O)N2CCC23CCC3)cc1 ZINC000441529196 416675497 /nfs/dbraw/zinc/67/54/97/416675497.db2.gz ICXWWXZZTPWSMC-UHFFFAOYSA-N 0 0 301.346 0.808 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)C(C)C ZINC000557622650 416743712 /nfs/dbraw/zinc/74/37/12/416743712.db2.gz STWIFXFDLJLIEC-MWLCHTKSSA-N 0 0 304.412 0.229 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000443342841 416753053 /nfs/dbraw/zinc/75/30/53/416753053.db2.gz ICQQYPRHTMWEPW-UHFFFAOYSA-N 0 0 305.334 0.351 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442270677 416689593 /nfs/dbraw/zinc/68/95/93/416689593.db2.gz KZPUNHUYPBUTDE-CYBMUJFWSA-N 0 0 319.361 0.033 10 0 DCAERN C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCN1C ZINC000442292213 416691636 /nfs/dbraw/zinc/69/16/36/416691636.db2.gz FBJJUZNJYCFMCQ-RYUDHWBXSA-N 0 0 319.409 0.637 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H](O)C2(CC2)C1 ZINC000368785930 416691787 /nfs/dbraw/zinc/69/17/87/416691787.db2.gz GPYNFBOTNADVHA-WCQYABFASA-N 0 0 304.346 0.611 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000442481332 416694080 /nfs/dbraw/zinc/69/40/80/416694080.db2.gz RFLVCDVZMZTIFH-KBVBSXBZSA-N 0 0 323.315 0.610 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCCSC)CC1 ZINC000614708018 416694126 /nfs/dbraw/zinc/69/41/26/416694126.db2.gz PYRUOCAQKPTQLW-UHFFFAOYSA-N 0 0 303.428 0.628 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2cnn(CC(C)C)c2)no1 ZINC000442425337 416694135 /nfs/dbraw/zinc/69/41/35/416694135.db2.gz ZDTUUSOFUBDGOO-UHFFFAOYSA-N 0 0 320.353 0.828 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCN3CCOC[C@@H]3C2)c1 ZINC000368815281 416696288 /nfs/dbraw/zinc/69/62/88/416696288.db2.gz BEPSAEAIHLBSQE-INIZCTEOSA-N 0 0 303.406 0.628 10 0 DCAERN Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000368831498 416698555 /nfs/dbraw/zinc/69/85/55/416698555.db2.gz ACABMGIMYARLBJ-GFCCVEGCSA-N 0 0 322.365 0.434 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cc3ccccn3n2)[C@@H](C)C1 ZINC000554412363 416707296 /nfs/dbraw/zinc/70/72/96/416707296.db2.gz UNXAXOSSRMNSBN-NSHDSACASA-N 0 0 301.350 1.419 10 0 DCAERN COc1nc(N[C@H](C)[C@@H](C)OC)nc(N[C@H](C)[C@@H](C)OC)n1 ZINC000516900092 416754313 /nfs/dbraw/zinc/75/43/13/416754313.db2.gz WXODZHUBZKRQGG-GWOFURMSSA-N 0 0 313.402 0.395 10 0 DCAERN Cc1cc(NC(=O)C(=O)N(C)CCCO)nn1-c1ccccc1 ZINC000443352851 416754517 /nfs/dbraw/zinc/75/45/17/416754517.db2.gz QECHMVYHRQWUMJ-UHFFFAOYSA-N 0 0 316.361 0.960 10 0 DCAERN CC(=O)N1CCN(C(=O)Cc2cnn3c2CCCC3)[C@H](C)C1 ZINC000631833241 416756256 /nfs/dbraw/zinc/75/62/56/416756256.db2.gz WENCFRFRMBFBDX-GFCCVEGCSA-N 0 0 304.394 0.841 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3cn(C)nn3)[C@H]2C1 ZINC000517795420 416823950 /nfs/dbraw/zinc/82/39/50/416823950.db2.gz LDCOMZJVVUBTTD-SDDRHHMPSA-N 0 0 306.370 0.584 10 0 DCAERN Cn1cc(OCC(=O)NCCn2c(=O)[nH]c3ccccc32)cn1 ZINC000558576850 416778892 /nfs/dbraw/zinc/77/88/92/416778892.db2.gz GABMKRNNSRGKSY-UHFFFAOYSA-N 0 0 315.333 0.671 10 0 DCAERN Nc1nc(N[C@H]2CCCN(CCO)C2=O)nc2ccccc12 ZINC000558688312 416788581 /nfs/dbraw/zinc/78/85/81/416788581.db2.gz KBYBXPUPIRANSJ-LBPRGKRZSA-N 0 0 301.350 0.607 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000558719062 416792872 /nfs/dbraw/zinc/79/28/72/416792872.db2.gz SPJNLTKIBUCQRL-CZUORRHYSA-N 0 0 308.378 0.451 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCn2ncnc2C1 ZINC000558957229 416797086 /nfs/dbraw/zinc/79/70/86/416797086.db2.gz MBJDQIUTYICTOA-NSHDSACASA-N 0 0 301.354 0.614 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cncc(N3CCCC3=O)c2)CC1 ZINC000623361919 416810478 /nfs/dbraw/zinc/81/04/78/416810478.db2.gz WVWBOYQSZVFTFC-UHFFFAOYSA-N 0 0 316.361 0.513 10 0 DCAERN CCO[C@@H]1C[C@](NCc2nnc(C)n2C)(C(=O)OC)C1(C)C ZINC000444746941 416863072 /nfs/dbraw/zinc/86/30/72/416863072.db2.gz GRFASAWRPGCCNM-ABAIWWIYSA-N 0 0 310.398 0.960 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)N2CCOCC2)(C(=O)OC)C1(C)C ZINC000444277419 416826285 /nfs/dbraw/zinc/82/62/85/416826285.db2.gz LWKHDLDFMFOORV-NHYWBVRUSA-N 0 0 314.382 0.775 10 0 DCAERN CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)N1CCCC1=O ZINC000369816738 416835216 /nfs/dbraw/zinc/83/52/16/416835216.db2.gz GXDWOLXOMVVWOY-LPWJVIDDSA-N 0 0 307.394 0.513 10 0 DCAERN CC1(C)CN(CC(=O)NC2CCOCC2)C[C@]2(CCOC2)O1 ZINC000369868854 416841209 /nfs/dbraw/zinc/84/12/09/416841209.db2.gz VLXDPNUXNUZYGM-INIZCTEOSA-N 0 0 312.410 0.552 10 0 DCAERN CCNC(=O)CC(=O)N[C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444545070 416846662 /nfs/dbraw/zinc/84/66/62/416846662.db2.gz HUSFKMBLGJHHOB-BONVTDFDSA-N 0 0 314.382 0.376 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)C(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444564127 416848514 /nfs/dbraw/zinc/84/85/14/416848514.db2.gz XUCOEBJOPSIWKT-BMIGLBTASA-N 0 0 312.366 0.128 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(OCC(N)=O)c2)C1=O ZINC000445914138 416904179 /nfs/dbraw/zinc/90/41/79/416904179.db2.gz REDHDYYCXCCJMZ-DLGQBQFBSA-N 0 0 303.318 0.942 10 0 DCAERN COc1cc(C)c(C(=O)NCCCS(N)(=O)=O)cc1OC ZINC000446001547 416908021 /nfs/dbraw/zinc/90/80/21/416908021.db2.gz AAQCUTGGDRWSQE-UHFFFAOYSA-N 0 0 316.379 0.421 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@]1(CCO)CCOC1 ZINC000447072661 416964315 /nfs/dbraw/zinc/96/43/15/416964315.db2.gz MPMNMFAPZJTQPU-LRDDRELGSA-N 0 0 306.362 0.463 10 0 DCAERN CNc1ncc(C(=O)NC[C@H]2COC3(CCOCC3)O2)s1 ZINC000371519465 416916374 /nfs/dbraw/zinc/91/63/74/416916374.db2.gz LTMUTQGAERCAMR-VIFPVBQESA-N 0 0 313.379 0.837 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(-n2cncn2)cc1 ZINC000372646777 416941996 /nfs/dbraw/zinc/94/19/96/416941996.db2.gz CSVUFOUCRPAPCO-HUUCEWRRSA-N 0 0 316.361 0.766 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCc1ccncc1 ZINC000446867208 416952171 /nfs/dbraw/zinc/95/21/71/416952171.db2.gz LCKBTQWXZXZTGY-UHFFFAOYSA-N 0 0 301.350 0.729 10 0 DCAERN CC[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)C[C@H](C)[S@@]1=O ZINC000521083764 416993616 /nfs/dbraw/zinc/99/36/16/416993616.db2.gz USBZLRLLEYMCAC-IPJMVDPNSA-N 0 0 319.467 0.774 10 0 DCAERN CC[C@@H](C(=O)N1CCOCC1)N1C(=O)N[C@@H](CC2CC2)C1=O ZINC000521959970 417034559 /nfs/dbraw/zinc/03/45/59/417034559.db2.gz MYFAOXOAMJJCKW-RYUDHWBXSA-N 0 0 309.366 0.344 10 0 DCAERN CN1CCOC[C@@H]1CNc1cnn(C)c(=O)c1Br ZINC000624620074 417069689 /nfs/dbraw/zinc/06/96/89/417069689.db2.gz UQKPLTRQZMPCOO-QMMMGPOBSA-N 0 0 317.187 0.285 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000377885193 417071595 /nfs/dbraw/zinc/07/15/95/417071595.db2.gz RPHOCTMMGACHQH-NXEZZACHSA-N 0 0 301.368 0.897 10 0 DCAERN CS(=O)(=O)[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616598967 417082584 /nfs/dbraw/zinc/08/25/84/417082584.db2.gz MVCCCHVKRFADLN-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN CC(=O)NCCCNc1ncc(I)cn1 ZINC000380100000 417087909 /nfs/dbraw/zinc/08/79/09/417087909.db2.gz LLAYHJILPLRALK-UHFFFAOYSA-N 0 0 320.134 1.019 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616665900 417091290 /nfs/dbraw/zinc/09/12/90/417091290.db2.gz CAHLSFVUBQICMH-VIFPVBQESA-N 0 0 309.388 0.105 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1ccc(F)cc1F ZINC000404151348 417116935 /nfs/dbraw/zinc/11/69/35/417116935.db2.gz NOPFIVJRJKGCJJ-LBPRGKRZSA-N 0 0 307.318 0.785 10 0 DCAERN Cc1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1F ZINC000404190104 417118468 /nfs/dbraw/zinc/11/84/68/417118468.db2.gz FBRMBBAQDVHIAV-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN COc1ccccc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC000404196952 417119055 /nfs/dbraw/zinc/11/90/55/417119055.db2.gz ITNLOYSJEVAUKP-ZDUSSCGKSA-N 0 0 301.364 0.515 10 0 DCAERN COCCNC(=O)CNC(=O)c1nscc1Br ZINC000404775896 417119846 /nfs/dbraw/zinc/11/98/46/417119846.db2.gz STZKNRLNRKSQDL-UHFFFAOYSA-N 0 0 322.184 0.398 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCSC[C@@H]2CCO)C1 ZINC000408011936 417131618 /nfs/dbraw/zinc/13/16/18/417131618.db2.gz XFTYPAHOYZVITK-RYUDHWBXSA-N 0 0 308.469 0.763 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000408018221 417131828 /nfs/dbraw/zinc/13/18/28/417131828.db2.gz YYDUPJBXTYXHBP-JTQLQIEISA-N 0 0 303.388 0.011 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000408027840 417133049 /nfs/dbraw/zinc/13/30/49/417133049.db2.gz MVEVMYUTIFUNSB-VXGBXAGGSA-N 0 0 315.395 0.385 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)C[C@H]21 ZINC000408021891 417133198 /nfs/dbraw/zinc/13/31/98/417133198.db2.gz JYPQPLROTZNFPO-NWANDNLSSA-N 0 0 319.409 0.382 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408054992 417136568 /nfs/dbraw/zinc/13/65/68/417136568.db2.gz VVGTZUJXCRPUDT-APHBMKBZSA-N 0 0 312.410 0.680 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408447190 417161103 /nfs/dbraw/zinc/16/11/03/417161103.db2.gz BSOFFGFAAKLYAW-SKDRFNHKSA-N 0 0 308.300 0.961 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408447796 417161946 /nfs/dbraw/zinc/16/19/46/417161946.db2.gz IMGVRKRCNBEPKV-FXPVBKGRSA-N 0 0 308.300 0.959 10 0 DCAERN CC(C)[C@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCO1 ZINC000408138272 417143909 /nfs/dbraw/zinc/14/39/09/417143909.db2.gz JJQKDBHRTZVMIN-YNEHKIRRSA-N 0 0 306.428 0.697 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cn(C(C)C)nn2)CC12COC2 ZINC000449367862 417145962 /nfs/dbraw/zinc/14/59/62/417145962.db2.gz ZKWMCFJVZWTWMR-CYBMUJFWSA-N 0 0 308.382 0.871 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC(=O)N1 ZINC000408199094 417146958 /nfs/dbraw/zinc/14/69/58/417146958.db2.gz YRBNACCCIRSTQD-SWHYSGLUSA-N 0 0 315.373 0.340 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(C)onc2N)C1 ZINC000408200910 417147177 /nfs/dbraw/zinc/14/71/77/417147177.db2.gz FQQQGKWJIFXBTQ-VIFPVBQESA-N 0 0 316.383 0.245 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408305212 417154825 /nfs/dbraw/zinc/15/48/25/417154825.db2.gz IABQVSWWYCQKFR-WPRPVWTQSA-N 0 0 315.313 0.337 10 0 DCAERN COCc1ncc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c(N)n1 ZINC000408305389 417155064 /nfs/dbraw/zinc/15/50/64/417155064.db2.gz JKQZUCQMWWYXJQ-VXGBXAGGSA-N 0 0 306.366 0.989 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)Cc1nnnn1C)CC2 ZINC000526020531 417176004 /nfs/dbraw/zinc/17/60/04/417176004.db2.gz CTKJLJVHDVLMLC-SNVBAGLBSA-N 0 0 317.397 0.820 10 0 DCAERN C[C@H](CNc1nc2c(cnn2C)c(=O)[nH]1)N1CCCCC1=O ZINC000526074705 417181570 /nfs/dbraw/zinc/18/15/70/417181570.db2.gz MJJQJHWXSXCHGL-SECBINFHSA-N 0 0 304.354 0.882 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)nn1 ZINC000449982074 417191095 /nfs/dbraw/zinc/19/10/95/417191095.db2.gz QIALHNORGGMOPX-UHFFFAOYSA-N 0 0 321.381 0.339 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)c1cn3cccnc3n1)CCO2 ZINC000527186307 417220464 /nfs/dbraw/zinc/22/04/64/417220464.db2.gz DXNHKJMAMKRTGB-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN C/C=C\C[C@@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)OCC ZINC000450918949 417283357 /nfs/dbraw/zinc/28/33/57/417283357.db2.gz XBLAYSRBYRTBBM-VLWUPBBWSA-N 0 0 308.338 0.495 10 0 DCAERN CCOC(=O)[C@H]1CN(c2nccn3cnnc23)CC12COC2 ZINC000450566519 417240215 /nfs/dbraw/zinc/24/02/15/417240215.db2.gz KVYXNDCTHYBUCF-SNVBAGLBSA-N 0 0 303.322 0.140 10 0 DCAERN CCc1nnc2n1C[C@@H](NC(=O)c1cc(F)c[nH]c1=O)CC2 ZINC000621817637 417302314 /nfs/dbraw/zinc/30/23/14/417302314.db2.gz CSBOFKGFUUIWMG-VIFPVBQESA-N 0 0 305.313 0.825 10 0 DCAERN Cc1csc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000451394949 417341238 /nfs/dbraw/zinc/34/12/38/417341238.db2.gz MHYDQNRKNCCPAY-LLVKDONJSA-N 0 0 302.421 0.762 10 0 DCAERN CC(=O)CN(C(=O)c1cc(N2CCOCC2)ncn1)C(C)C ZINC000633219989 417391217 /nfs/dbraw/zinc/39/12/17/417391217.db2.gz YATYFLAILIVPEY-UHFFFAOYSA-N 0 0 306.366 0.753 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncns2)CC1 ZINC000633304128 417405063 /nfs/dbraw/zinc/40/50/63/417405063.db2.gz BCPUYXCUPPXSON-LLVKDONJSA-N 0 0 309.395 0.198 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000633328318 417412340 /nfs/dbraw/zinc/41/23/40/417412340.db2.gz NHWRBLBQOJVTDQ-DZGCQCFKSA-N 0 0 317.345 0.861 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C1 ZINC000622259451 417422124 /nfs/dbraw/zinc/42/21/24/417422124.db2.gz NRZWEEYFHULORR-MNOVXSKESA-N 0 0 309.332 0.900 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)C[C@H](C)CC)CC12COC2 ZINC000451621097 417365657 /nfs/dbraw/zinc/36/56/57/417365657.db2.gz UOJCZSFLRRCFIW-VXGBXAGGSA-N 0 0 319.423 0.874 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1)C(C)C ZINC000633799428 417487151 /nfs/dbraw/zinc/48/71/51/417487151.db2.gz QWLVZDQPDGXNLW-BZUAXINKSA-N 0 0 320.389 0.798 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(F)F ZINC000627534554 417452970 /nfs/dbraw/zinc/45/29/70/417452970.db2.gz FUXVLYXCIOZZJW-UHFFFAOYSA-N 0 0 307.341 0.567 10 0 DCAERN O=C(CCOc1cccc(F)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000633585811 417459648 /nfs/dbraw/zinc/45/96/48/417459648.db2.gz WEUFXAKWAKFUFQ-ZIAGYGMSSA-N 0 0 320.324 0.631 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(OC)nc2)CC12COC2 ZINC000452220889 417459752 /nfs/dbraw/zinc/45/97/52/417459752.db2.gz ILXHMOIHNOIRJP-GFCCVEGCSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCn2ccnc2)CC12COC2 ZINC000452262061 417461407 /nfs/dbraw/zinc/46/14/07/417461407.db2.gz LYIMJNMGUKJZFD-LBPRGKRZSA-N 0 0 307.350 0.311 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cncc(OC)n2)CC12COC2 ZINC000452265738 417464226 /nfs/dbraw/zinc/46/42/26/417464226.db2.gz QUORYXYXXBGHEP-SNVBAGLBSA-N 0 0 321.333 0.137 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CNCC(F)(F)F)CC12COC2 ZINC000452270817 417464333 /nfs/dbraw/zinc/46/43/33/417464333.db2.gz ZYQCPYNRKSACGC-VIFPVBQESA-N 0 0 324.299 0.176 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000633689023 417477889 /nfs/dbraw/zinc/47/78/89/417477889.db2.gz YIEPURKXGNFELC-CHWSQXEVSA-N 0 0 304.350 0.857 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@](O)(CO)C2)c(C(F)(F)F)n1 ZINC000622689785 417485488 /nfs/dbraw/zinc/48/54/88/417485488.db2.gz RYCLGUTXCFVZBE-GFCCVEGCSA-N 0 0 321.299 0.881 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000627969601 417543074 /nfs/dbraw/zinc/54/30/74/417543074.db2.gz SLGHLWNZVOTOMY-MWLCHTKSSA-N 0 0 313.398 0.090 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(c2c[nH]cn2)CC1 ZINC000644381758 417556219 /nfs/dbraw/zinc/55/62/19/417556219.db2.gz APRZREPWPOKRED-CQSZACIVSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC000633877191 417504782 /nfs/dbraw/zinc/50/47/82/417504782.db2.gz VIWVSXCDOVAZGU-GJZGRUSLSA-N 0 0 303.318 0.342 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633876566 417504857 /nfs/dbraw/zinc/50/48/57/417504857.db2.gz NMLZQIJPGNXMIM-IYBDPMFKSA-N 0 0 308.378 0.893 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000622918152 417517631 /nfs/dbraw/zinc/51/76/31/417517631.db2.gz PKJPRZZXMDIEGK-ZDUSSCGKSA-N 0 0 318.377 0.798 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCC(=O)N2CCCO2)cc1 ZINC000627890237 417526300 /nfs/dbraw/zinc/52/63/00/417526300.db2.gz VEEMLIHQEAHOMT-UHFFFAOYSA-N 0 0 305.334 0.563 10 0 DCAERN Cc1nccnc1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000455126914 417594631 /nfs/dbraw/zinc/59/46/31/417594631.db2.gz FRWHXOYAAHHWNX-UHFFFAOYSA-N 0 0 303.370 1.496 10 0 DCAERN Cn1nc(NC(=O)CN2CCCC[C@@H](O)C2=O)cc1C1CC1 ZINC000644484214 417595003 /nfs/dbraw/zinc/59/50/03/417595003.db2.gz AVLGHYBDNKDYJU-GFCCVEGCSA-N 0 0 306.366 0.609 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2C2CCOCC2)CC(=O)N1 ZINC000644494210 417600266 /nfs/dbraw/zinc/60/02/66/417600266.db2.gz CKUPEAMVZNIASF-SNVBAGLBSA-N 0 0 306.366 0.275 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@]2(CCOC2)O1 ZINC000530314209 417567348 /nfs/dbraw/zinc/56/73/48/417567348.db2.gz REXVCMVVOCUPIQ-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN Cn1cc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)nn1 ZINC000530422267 417574868 /nfs/dbraw/zinc/57/48/68/417574868.db2.gz QDKAXVWXCOJNEI-UHFFFAOYSA-N 0 0 322.394 0.607 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ncccc2OC)C1 ZINC000454686546 417575206 /nfs/dbraw/zinc/57/52/06/417575206.db2.gz UINVLDFKELSSRO-LLVKDONJSA-N 0 0 321.381 0.693 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000530460917 417576910 /nfs/dbraw/zinc/57/69/10/417576910.db2.gz MJIPMYHHSDFWGX-GRYCIOLGSA-N 0 0 319.427 0.135 10 0 DCAERN CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000440042508 287392689 /nfs/dbraw/zinc/39/26/89/287392689.db2.gz KEOUJQHEPWUTJI-CYBMUJFWSA-N 0 0 317.345 0.609 10 0 DCAERN Cc1noc(CN2CCN(C(=O)c3ccc(=O)[nH]c3C)CC2)n1 ZINC000439964670 287391996 /nfs/dbraw/zinc/39/19/96/287391996.db2.gz YRADQSSZWRLFAE-UHFFFAOYSA-N 0 0 317.349 0.745 10 0 DCAERN CN1CCC[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1=O ZINC000531365070 417618431 /nfs/dbraw/zinc/61/84/31/417618431.db2.gz GGRRRZRAQOMMEP-LBPRGKRZSA-N 0 0 305.382 0.920 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440037851 287392307 /nfs/dbraw/zinc/39/23/07/287392307.db2.gz QHXASLNVFQHSGK-ZWNOBZJWSA-N 0 0 317.345 0.344 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)c1 ZINC000440267901 287396214 /nfs/dbraw/zinc/39/62/14/287396214.db2.gz MJYPCVLYYUHAGN-SECBINFHSA-N 0 0 323.324 0.462 10 0 DCAERN Cn1cnnc1COCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000645030628 417693822 /nfs/dbraw/zinc/69/38/22/417693822.db2.gz GPESMGBQTPDECN-GFCCVEGCSA-N 0 0 302.334 0.972 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000628592405 417664599 /nfs/dbraw/zinc/66/45/99/417664599.db2.gz SBKFOFBDAJYNEB-HUUCEWRRSA-N 0 0 307.346 0.924 10 0 DCAERN COC(=O)c1cc(C)nc(NC[C@H](C)N2CCCCC2=O)n1 ZINC000577762275 417680336 /nfs/dbraw/zinc/68/03/36/417680336.db2.gz JWVOHSPSPDOCIW-NSHDSACASA-N 0 0 306.366 1.385 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H](C)S1=O ZINC000408342454 296926253 /nfs/dbraw/zinc/92/62/53/296926253.db2.gz KPDLOHGGCIZKAO-NXEZZACHSA-N 0 0 322.386 0.999 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000457968465 417713057 /nfs/dbraw/zinc/71/30/57/417713057.db2.gz ILNVWENFDRZAGJ-RISCZKNCSA-N 0 0 321.356 0.881 10 0 DCAERN C[C@H](Sc1ccccc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458118457 417722711 /nfs/dbraw/zinc/72/27/11/417722711.db2.gz BNBQMJHGXVZTCZ-NWDGAFQWSA-N 0 0 306.391 0.936 10 0 DCAERN O=C(CCCOc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000458122996 417723958 /nfs/dbraw/zinc/72/39/58/417723958.db2.gz IBVCMJXTAOWMJY-ZDUSSCGKSA-N 0 0 304.350 0.614 10 0 DCAERN CCOc1ccc(CCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458140415 417724831 /nfs/dbraw/zinc/72/48/31/417724831.db2.gz NJVKNIYLIKLCGO-AWEZNQCLSA-N 0 0 318.377 0.787 10 0 DCAERN O=C(Cc1ccc(F)cc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458137939 417725610 /nfs/dbraw/zinc/72/56/10/417725610.db2.gz LYAQTRPLCKTUTE-NSHDSACASA-N 0 0 312.732 0.790 10 0 DCAERN c1cn(C[C@H]2CN(c3ncnc4c3CCCC4)CCO2)nn1 ZINC000631376813 417866059 /nfs/dbraw/zinc/86/60/59/417866059.db2.gz FKYTVSDVWMPCBC-GFCCVEGCSA-N 0 0 300.366 0.852 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000664267642 418106410 /nfs/dbraw/zinc/10/64/10/418106410.db2.gz LRHBXRDQXZDUKU-RNFRBKRXSA-N 0 0 311.285 0.719 10 0 DCAERN COC(=O)CN1CCN(c2nccc(-c3cnccn3)n2)CC1 ZINC000450242966 287442088 /nfs/dbraw/zinc/44/20/88/287442088.db2.gz MFJCYTFUQGJFEF-UHFFFAOYSA-N 0 0 314.349 0.229 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC(C)C ZINC000487339585 287534920 /nfs/dbraw/zinc/53/49/20/287534920.db2.gz UNQAOYOGPCTECL-NXEZZACHSA-N 0 0 308.400 0.018 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)n1cccn1 ZINC000488161873 287547154 /nfs/dbraw/zinc/54/71/54/287547154.db2.gz MTROJJCBJKVSEF-OUAUKWLOSA-N 0 0 310.354 0.017 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C)ccn1 ZINC000488548962 287553650 /nfs/dbraw/zinc/55/36/50/287553650.db2.gz VZOZQCLKYJGOEZ-GHMZBOCLSA-N 0 0 322.365 0.968 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@H](O)C1CC1 ZINC000489514980 287554214 /nfs/dbraw/zinc/55/42/14/287554214.db2.gz NZFXIPRSDHYCHO-LBPRGKRZSA-N 0 0 303.366 0.732 10 0 DCAERN COC[C@H](CCO)NC(=O)NCCCc1nnc2ccccn21 ZINC000489504920 287554446 /nfs/dbraw/zinc/55/44/46/287554446.db2.gz ZGPMHFRIIMEFKH-LBPRGKRZSA-N 0 0 321.381 0.359 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000299740541 229374246 /nfs/dbraw/zinc/37/42/46/229374246.db2.gz BNAJPMQLWKDQCG-ZDUSSCGKSA-N 0 0 318.381 0.698 10 0 DCAERN Cc1cnn(C[C@H]2CN(c3ccncc3C(N)=O)CCO2)c1 ZINC000302010614 230032541 /nfs/dbraw/zinc/03/25/41/230032541.db2.gz CFEXAJOFAUHRLV-GFCCVEGCSA-N 0 0 301.350 0.591 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000105923158 261107727 /nfs/dbraw/zinc/10/77/27/261107727.db2.gz UANCKKPPBGAUCC-UWVGGRQHSA-N 0 0 305.304 0.982 10 0 DCAERN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCOC1 ZINC000179167246 261111949 /nfs/dbraw/zinc/11/19/49/261111949.db2.gz FLHGJTCHDIGZIR-CVEARBPZSA-N 0 0 319.405 0.494 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(C)C ZINC000179308616 261112902 /nfs/dbraw/zinc/11/29/02/261112902.db2.gz QBBSPARVCRCSDS-SNVBAGLBSA-N 0 0 318.420 0.652 10 0 DCAERN CCNC(=O)CNC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000179457636 261113113 /nfs/dbraw/zinc/11/31/13/261113113.db2.gz NPCKKGSOONZMAR-SNVBAGLBSA-N 0 0 306.357 0.493 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCC(=O)NCC2CC2)s1 ZINC000179850922 261113551 /nfs/dbraw/zinc/11/35/51/261113551.db2.gz NMVOTNSTUNRQBU-UHFFFAOYSA-N 0 0 309.391 0.640 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000182005391 261115659 /nfs/dbraw/zinc/11/56/59/261115659.db2.gz OPXUUKQDPVPDPW-FAAWYNLUSA-N 0 0 314.345 0.925 10 0 DCAERN CC(C)CN1CCN(C(=O)NCCCN2CCCC2=O)CC1=O ZINC000186758682 261121977 /nfs/dbraw/zinc/12/19/77/261121977.db2.gz QIWOGOWRLDCLEV-UHFFFAOYSA-N 0 0 324.425 0.509 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000187853145 261125160 /nfs/dbraw/zinc/12/51/60/261125160.db2.gz JEMUEPWJVVIMAV-UHFFFAOYSA-N 0 0 300.274 0.478 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)N1CCOCC1 ZINC000188194538 261125736 /nfs/dbraw/zinc/12/57/36/261125736.db2.gz JWWRIKQQFPBWRG-OLZOCXBDSA-N 0 0 313.442 0.764 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](CO)Cc1ccccc1C)C(C)C ZINC000188366507 261126791 /nfs/dbraw/zinc/12/67/91/261126791.db2.gz VODJSBQONINGGA-LSDHHAIUSA-N 0 0 321.421 0.968 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@H]1C ZINC000190550695 261134445 /nfs/dbraw/zinc/13/44/45/261134445.db2.gz XVTSSIDYSLEJOT-SKDRFNHKSA-N 0 0 315.395 0.170 10 0 DCAERN COc1ccc(COC[C@H](O)CN2CC(NC(C)=O)C2)cc1 ZINC000191730095 261138013 /nfs/dbraw/zinc/13/80/13/261138013.db2.gz WXEIIMQDGRMOCE-OAHLLOKOSA-N 0 0 308.378 0.393 10 0 DCAERN COC(=O)C1(NC(=O)[C@@H](C)NC(=O)c2ccco2)CCCC1 ZINC000193451239 261142629 /nfs/dbraw/zinc/14/26/29/261142629.db2.gz WAKYZNLJMBOYGY-SNVBAGLBSA-N 0 0 308.334 1.000 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)NCCCN1CCCC1=O ZINC000193882444 261143695 /nfs/dbraw/zinc/14/36/95/261143695.db2.gz MHGGGNKJTDZOEM-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN Cc1cc(COCC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)on1 ZINC000193878419 261144022 /nfs/dbraw/zinc/14/40/22/261144022.db2.gz BRJFITIPMCRKBP-AWEZNQCLSA-N 0 0 321.308 0.982 10 0 DCAERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCOCCO)C(C)C ZINC000194042912 261145233 /nfs/dbraw/zinc/14/52/33/261145233.db2.gz ZCZQEYDZDDZEFC-OAHLLOKOSA-N 0 0 322.405 0.875 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000194256171 261145982 /nfs/dbraw/zinc/14/59/82/261145982.db2.gz PBEUGZBWUVWACK-BDJLRTHQSA-N 0 0 313.357 0.642 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000194242881 261146032 /nfs/dbraw/zinc/14/60/32/261146032.db2.gz LHUCMWANQGAQLC-KCJUWKMLSA-N 0 0 317.349 0.231 10 0 DCAERN CCOCCN1CCN(C(=O)Cn2ccc(C)cc2=O)C[C@@H]1C ZINC000194725081 261147268 /nfs/dbraw/zinc/14/72/68/261147268.db2.gz WIBNWPFLZDROAK-HNNXBMFYSA-N 0 0 321.421 0.726 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)cc1 ZINC000194803466 261148422 /nfs/dbraw/zinc/14/84/22/261148422.db2.gz NWPVEKLOPLYGCC-CQSZACIVSA-N 0 0 315.373 0.416 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1O ZINC000221817818 261152527 /nfs/dbraw/zinc/15/25/27/261152527.db2.gz LCDQTZIXDUIPEQ-NXEZZACHSA-N 0 0 316.379 0.373 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000228557662 261154199 /nfs/dbraw/zinc/15/41/99/261154199.db2.gz WZRHLZSTRVJDPA-GMXVVIOVSA-N 0 0 308.444 0.727 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@](C)(O)C1 ZINC000234559408 261154419 /nfs/dbraw/zinc/15/44/19/261154419.db2.gz FBEOTXCJXLPLGL-NTZNESFSSA-N 0 0 305.396 0.505 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1cc(Br)ccc1O ZINC000235403010 261154566 /nfs/dbraw/zinc/15/45/66/261154566.db2.gz SBLUWZMZUAKMFO-NSHDSACASA-N 0 0 304.140 0.628 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H](CO)C1 ZINC000234605448 261155176 /nfs/dbraw/zinc/15/51/76/261155176.db2.gz VQYGEGBUWJGBEY-IJLUTSLNSA-N 0 0 305.396 0.362 10 0 DCAERN COCCN(C(=O)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000244057090 261165891 /nfs/dbraw/zinc/16/58/91/261165891.db2.gz TWOPKABDLLDDET-ZDUSSCGKSA-N 0 0 318.439 0.974 10 0 DCAERN COC[C@H](C)CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000311868193 261174344 /nfs/dbraw/zinc/17/43/44/261174344.db2.gz RRWWFUZGHINJIN-BDAKNGLRSA-N 0 0 306.350 0.681 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC(C)(C)CO ZINC000354629225 261248531 /nfs/dbraw/zinc/24/85/31/261248531.db2.gz WMTFAIMZGVJGFC-UHFFFAOYSA-N 0 0 307.350 0.495 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)NCc2ncccc2O)C1 ZINC000354801972 261273229 /nfs/dbraw/zinc/27/32/29/261273229.db2.gz KDWFIRMROKSTCE-GFCCVEGCSA-N 0 0 306.366 0.845 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000357387752 261535483 /nfs/dbraw/zinc/53/54/83/261535483.db2.gz JGZXWKACFGCYID-LLVKDONJSA-N 0 0 308.363 0.599 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000358847848 261706006 /nfs/dbraw/zinc/70/60/06/261706006.db2.gz HKBWSHKVRUFRDH-ITGHMWBKSA-N 0 0 324.421 0.536 10 0 DCAERN COc1cncc(C(=O)NCCCc2nnc3ccccn32)n1 ZINC000359442060 261744883 /nfs/dbraw/zinc/74/48/83/261744883.db2.gz VGWKBRKWMIAGKH-UHFFFAOYSA-N 0 0 312.333 0.891 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000359719174 261762695 /nfs/dbraw/zinc/76/26/95/261762695.db2.gz WVPWJLNIDPLOLS-ZWNOBZJWSA-N 0 0 319.361 0.798 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H]1C(N)=O ZINC000360714163 261865353 /nfs/dbraw/zinc/86/53/53/261865353.db2.gz OONQRDUTRKGNBT-JOYOIKCWSA-N 0 0 301.350 0.826 10 0 DCAERN C/C=C\C[C@H](NC(=O)Cn1c(C)cc(O)cc1=O)C(=O)OCC ZINC000361533780 261936053 /nfs/dbraw/zinc/93/60/53/261936053.db2.gz RDALBXXDNZGNAR-AGLBCWCQSA-N 0 0 322.361 0.876 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H](C(C)C)C(C)(C)O ZINC000361947362 261981109 /nfs/dbraw/zinc/98/11/09/261981109.db2.gz SEGVMHWGHCWCKA-GFCCVEGCSA-N 0 0 310.398 0.887 10 0 DCAERN NC(=O)C(NC(=O)CCc1cccc(C(F)(F)F)c1)C(N)=O ZINC000362119211 262001596 /nfs/dbraw/zinc/00/15/96/262001596.db2.gz QSHUVXRRLDRAOU-UHFFFAOYSA-N 0 0 317.267 0.093 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)Cc1ccnn1C ZINC000362145730 262003852 /nfs/dbraw/zinc/00/38/52/262003852.db2.gz WKTYNZMQXNFRHQ-UHFFFAOYSA-N 0 0 318.381 0.874 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC[C@H](C)[S@](C)=O)C1CCCC1 ZINC000362149519 262004966 /nfs/dbraw/zinc/00/49/66/262004966.db2.gz MVFHQAKHLXJSSW-WWHJXGCHSA-N 0 0 302.440 0.955 10 0 DCAERN C[C@](O)(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000362176542 262006926 /nfs/dbraw/zinc/00/69/26/262006926.db2.gz GPUGINUNPWCAKK-DYVFJYSZSA-N 0 0 324.421 0.635 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1C ZINC000362198246 262008162 /nfs/dbraw/zinc/00/81/62/262008162.db2.gz FFIVTAGULKEHNY-WDNDVIMCSA-N 0 0 302.330 0.897 10 0 DCAERN CC[C@H](NC(=O)N1CCOCC[C@H]1C)C(=O)N1CCOCC1 ZINC000362254482 262015408 /nfs/dbraw/zinc/01/54/08/262015408.db2.gz GWHGDVRHUXJYJE-OLZOCXBDSA-N 0 0 313.398 0.444 10 0 DCAERN CNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1cnn(C)c1 ZINC000362260043 262016099 /nfs/dbraw/zinc/01/60/99/262016099.db2.gz GEGZHFFHEMZMLJ-CQSZACIVSA-N 0 0 314.345 0.503 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CCC(=O)NC2)no1 ZINC000362311981 262020849 /nfs/dbraw/zinc/02/08/49/262020849.db2.gz HTSVZFIRRAZGRL-MRVPVSSYSA-N 0 0 309.322 0.339 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000362397195 262029760 /nfs/dbraw/zinc/02/97/60/262029760.db2.gz RBNLEVITXAJUPV-GHMZBOCLSA-N 0 0 309.366 0.535 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)c1cc(OC)c(OC)cc1C ZINC000362404439 262031015 /nfs/dbraw/zinc/03/10/15/262031015.db2.gz RYOSDKVEZSNRHQ-HNNXBMFYSA-N 0 0 311.334 0.666 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)CS(C)(=O)=O)cc1 ZINC000362441531 262035668 /nfs/dbraw/zinc/03/56/68/262035668.db2.gz RYRRLIOMAFZVFC-JTQLQIEISA-N 0 0 312.391 0.832 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]c(C(N)=O)c2)c1 ZINC000362550840 262045135 /nfs/dbraw/zinc/04/51/35/262045135.db2.gz ORBODANUMYPKQW-UHFFFAOYSA-N 0 0 322.346 0.274 10 0 DCAERN C[C@@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000362619297 262053720 /nfs/dbraw/zinc/05/37/20/262053720.db2.gz ADJRXVZQHBOWQQ-MNOVXSKESA-N 0 0 305.444 0.951 10 0 DCAERN CCn1ccnc1C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000362803930 262074483 /nfs/dbraw/zinc/07/44/83/262074483.db2.gz BIWARANCTAOXAL-UHFFFAOYSA-N 0 0 303.370 0.288 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CCC1=O ZINC000362911831 262085868 /nfs/dbraw/zinc/08/58/68/262085868.db2.gz VJPNKACYALXIKT-BFVZDQMLSA-N 0 0 311.407 0.177 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000363007100 262094075 /nfs/dbraw/zinc/09/40/75/262094075.db2.gz BWMFJEDLESCPNO-HZSPNIEDSA-N 0 0 310.394 0.509 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1C ZINC000363803753 262131409 /nfs/dbraw/zinc/13/14/09/262131409.db2.gz VCBVJKIQDHYSPX-OAHLLOKOSA-N 0 0 317.389 0.785 10 0 DCAERN O=C(C[C@H]1CSCCS1)N1CCN2CCOC[C@@H]2C1 ZINC000363818527 262132535 /nfs/dbraw/zinc/13/25/35/262132535.db2.gz LEQOJOLDUZFIQA-RYUDHWBXSA-N 0 0 302.465 0.768 10 0 DCAERN NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000363844450 262134054 /nfs/dbraw/zinc/13/40/54/262134054.db2.gz BBWIETQZMMRDCQ-LLVKDONJSA-N 0 0 317.345 0.284 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000363923556 262136984 /nfs/dbraw/zinc/13/69/84/262136984.db2.gz BOQOALUVCSTBOF-RYUDHWBXSA-N 0 0 320.411 0.227 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)N(C)C1CCCCC1 ZINC000392903640 262161249 /nfs/dbraw/zinc/16/12/49/262161249.db2.gz VDJDINRFWMWLIH-CMPLNLGQSA-N 0 0 303.428 0.752 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@]1(O)CCOC1)CC2 ZINC000413639916 262220113 /nfs/dbraw/zinc/22/01/13/262220113.db2.gz IVAAIGKYROPOQV-QGZVFWFLSA-N 0 0 303.358 0.968 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1 ZINC000427047186 262560713 /nfs/dbraw/zinc/56/07/13/262560713.db2.gz ZSHPKBLQGQEFCA-NHYWBVRUSA-N 0 0 306.362 0.891 10 0 DCAERN COC(=O)[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000507277049 287644125 /nfs/dbraw/zinc/64/41/25/287644125.db2.gz HEDAODNFNRFTGJ-QWRGUYRKSA-N 0 0 310.316 0.791 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](CO)C1CC1 ZINC000358324904 271049511 /nfs/dbraw/zinc/04/95/11/271049511.db2.gz CHMUMSSTKPATMH-STQMWFEESA-N 0 0 318.439 0.325 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)NCc1ccc2cc[nH]c2n1 ZINC000358386593 271050229 /nfs/dbraw/zinc/05/02/29/271050229.db2.gz AGSVQVTXUKYQIF-UHFFFAOYSA-N 0 0 315.333 0.511 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OCC ZINC000358388656 271051254 /nfs/dbraw/zinc/05/12/54/271051254.db2.gz MURYUYCOVZJYAM-HRHAQSILSA-N 0 0 317.407 0.968 10 0 DCAERN COC(=O)[C@@H](Sc1nnc(N2CCOCC2)n1C)C1CC1 ZINC000358926976 271081785 /nfs/dbraw/zinc/08/17/85/271081785.db2.gz UIAXPFGGMUEMTE-JTQLQIEISA-N 0 0 312.395 0.695 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2CCSC2)n1 ZINC000359230409 271107982 /nfs/dbraw/zinc/10/79/82/271107982.db2.gz IFCYQGAQJVWUEN-NSHDSACASA-N 0 0 323.418 0.618 10 0 DCAERN O=C(NCCn1ccnc1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000359487332 271120874 /nfs/dbraw/zinc/12/08/74/271120874.db2.gz WQMWSFWZBIMEFS-NSHDSACASA-N 0 0 306.288 0.982 10 0 DCAERN C[C@H](CNC(=O)c1snnc1C(C)(C)C)S(N)(=O)=O ZINC000398359410 271217836 /nfs/dbraw/zinc/21/78/36/271217836.db2.gz FBEYILAFONQDET-ZCFIWIBFSA-N 0 0 306.413 0.242 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000398513247 271219015 /nfs/dbraw/zinc/21/90/15/271219015.db2.gz QWKQJEOOFPBRDG-SNVBAGLBSA-N 0 0 300.355 0.891 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C/C=C\c1cccc(F)c1 ZINC000440155942 271650012 /nfs/dbraw/zinc/65/00/12/271650012.db2.gz FNFGAQFAIFWKER-HYXAFXHYSA-N 0 0 300.355 0.894 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H](C)C[S@](C)=O)no1 ZINC000442651280 271676127 /nfs/dbraw/zinc/67/61/27/271676127.db2.gz QCBHAQCOMUBIGO-SQFXPLBJSA-N 0 0 302.400 0.933 10 0 DCAERN CCc1oc(C(=O)OC)cc1S(=O)(=O)N(C)CCCO ZINC000443089646 271698717 /nfs/dbraw/zinc/69/87/17/271698717.db2.gz AKFYGJUPUZYETK-UHFFFAOYSA-N 0 0 305.352 0.632 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000448840219 271833924 /nfs/dbraw/zinc/83/39/24/271833924.db2.gz JDZBPNIOTNUZRY-CYBMUJFWSA-N 0 0 322.434 0.699 10 0 DCAERN C[C@H](OCCc1ccccc1)C(=O)N(C)Cc1nnnn1C ZINC000450106741 271870230 /nfs/dbraw/zinc/87/02/30/271870230.db2.gz UPXDILFQDUQJCF-LBPRGKRZSA-N 0 0 303.366 0.816 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccc(C(N)=O)cn2)CC12COC2 ZINC000450553387 271875642 /nfs/dbraw/zinc/87/56/42/271875642.db2.gz BQDGKDWGVXCYOD-NSHDSACASA-N 0 0 305.334 0.196 10 0 DCAERN Cc1cccc2c1O[C@H](C(=O)N1CCN3CCOC[C@@H]3C1)C2 ZINC000450588820 271875708 /nfs/dbraw/zinc/87/57/08/271875708.db2.gz WPZFXOOQVDSHGV-GJZGRUSLSA-N 0 0 302.374 0.842 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(CC)C2)s1 ZINC000453933554 271932883 /nfs/dbraw/zinc/93/28/83/271932883.db2.gz PTNHUVXXLJIYJM-SECBINFHSA-N 0 0 324.406 0.689 10 0 DCAERN CCCOc1cccc(CC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458145738 271944285 /nfs/dbraw/zinc/94/42/85/271944285.db2.gz RDLDCPSRLYUSHS-CQSZACIVSA-N 0 0 318.377 0.787 10 0 DCAERN CC(C)O[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000458140426 271944338 /nfs/dbraw/zinc/94/43/38/271944338.db2.gz NKFPEEHHJRGCCR-HUUCEWRRSA-N 0 0 318.377 0.922 10 0 DCAERN Cc1ccc(C[C@@H](C)C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458149932 271944382 /nfs/dbraw/zinc/94/43/82/271944382.db2.gz VDAFSUHEWKKHBH-HIFRSBDPSA-N 0 0 302.378 0.942 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148815 271944614 /nfs/dbraw/zinc/94/46/14/271944614.db2.gz UDSDCDHMUIXUHM-LBPRGKRZSA-N 0 0 324.768 0.660 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000458390764 271954486 /nfs/dbraw/zinc/95/44/86/271954486.db2.gz HBNXOCPFEVKXQA-QJPTWQEYSA-N 0 0 313.427 0.612 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)[C@@H](C)OC)CC2 ZINC000460375401 272025817 /nfs/dbraw/zinc/02/58/17/272025817.db2.gz YCEDVFBSRZAMED-MXWKQRLJSA-N 0 0 311.386 0.462 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)CSCC(=O)N[C@H](C)[C@@H](C)OC ZINC000461268214 272026279 /nfs/dbraw/zinc/02/62/79/272026279.db2.gz AQFUQHNFVBZMDD-DDHJBXDOSA-N 0 0 320.455 0.799 10 0 DCAERN CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000478631784 272034922 /nfs/dbraw/zinc/03/49/22/272034922.db2.gz PXGIPWHQBQHNLX-CYBMUJFWSA-N 0 0 320.393 0.970 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cn(C)nc1CC ZINC000487117869 272038175 /nfs/dbraw/zinc/03/81/75/272038175.db2.gz TVJLONBXECSSEJ-VHSXEESVSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(OC)c1 ZINC000487162415 272038544 /nfs/dbraw/zinc/03/85/44/272038544.db2.gz VFIAXERHZDHMPA-MNOVXSKESA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CC1(OC)CCC1 ZINC000487168176 272038712 /nfs/dbraw/zinc/03/87/12/272038712.db2.gz VCTAZVXZKABWDZ-WDEREUQCSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccccn1 ZINC000487154266 272039148 /nfs/dbraw/zinc/03/91/48/272039148.db2.gz PUFMTZLMLDXDRY-NWDGAFQWSA-N 0 0 321.377 0.587 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCC(F)(F)C2)nn1 ZINC000488998407 272055724 /nfs/dbraw/zinc/05/57/24/272055724.db2.gz ACLOCVVHCSLXSW-VIFPVBQESA-N 0 0 315.324 0.674 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000489212451 272058982 /nfs/dbraw/zinc/05/89/82/272058982.db2.gz YYKZYBBGQJDRBF-HOCLYGCPSA-N 0 0 321.421 0.782 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCOC2)cn1 ZINC000494296375 272217133 /nfs/dbraw/zinc/21/71/33/272217133.db2.gz TUGIIHNKCDMYHR-NSHDSACASA-N 0 0 306.366 0.581 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CCCc2nc(C)no2)CC1 ZINC000494431865 272221368 /nfs/dbraw/zinc/22/13/68/272221368.db2.gz RJYKISLXIWBLBP-UHFFFAOYSA-N 0 0 310.398 0.880 10 0 DCAERN CCN(CC)C(=O)[C@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494407534 272221400 /nfs/dbraw/zinc/22/14/00/272221400.db2.gz UTMNAXMNUHZDOK-ZDUSSCGKSA-N 0 0 313.442 0.813 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)NCc2ccco2)CC1 ZINC000494451906 272222653 /nfs/dbraw/zinc/22/26/53/272222653.db2.gz HUHKCFHKGHVECZ-UHFFFAOYSA-N 0 0 323.393 0.465 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccoc1 ZINC000495161719 272240204 /nfs/dbraw/zinc/24/02/04/272240204.db2.gz YBRBXCLPDOWSLE-NXEZZACHSA-N 0 0 311.338 0.535 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1CC1(C)C ZINC000495249824 272242858 /nfs/dbraw/zinc/24/28/58/272242858.db2.gz HTKWVYACJMIHHH-VWYCJHECSA-N 0 0 313.398 0.788 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC12CCCCC2 ZINC000497312692 272382078 /nfs/dbraw/zinc/38/20/78/272382078.db2.gz IWPWAOIOCKALAA-GFCCVEGCSA-N 0 0 309.366 0.488 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000513376014 272398858 /nfs/dbraw/zinc/39/88/58/272398858.db2.gz FTQAONZWYUAUPL-RDBSUJKOSA-N 0 0 309.410 0.761 10 0 DCAERN CC1(C)CN(C(=O)CN2CCCNC2=O)C[C@@]2(CCOC2)O1 ZINC000527027266 272599062 /nfs/dbraw/zinc/59/90/62/272599062.db2.gz FSZSYUKGZPJGOP-OAHLLOKOSA-N 0 0 311.382 0.198 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCCc1cn2c(n1)SCC2 ZINC000527043014 272599663 /nfs/dbraw/zinc/59/96/63/272599663.db2.gz HVLLUTBNHHFZAF-SNVBAGLBSA-N 0 0 316.452 0.850 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000530514077 272744006 /nfs/dbraw/zinc/74/40/06/272744006.db2.gz QGSLNKIQBDAGOV-TUAOUCFPSA-N 0 0 304.412 0.820 10 0 DCAERN COc1ccc(CNC(=O)N(C)Cc2nnnn2C)c(C)c1 ZINC000532231441 272781813 /nfs/dbraw/zinc/78/18/13/272781813.db2.gz TUUKWRDKTJIYDS-UHFFFAOYSA-N 0 0 304.354 0.869 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(-n3ccc(C)n3)nn2)C1 ZINC000515317600 287651813 /nfs/dbraw/zinc/65/18/13/287651813.db2.gz UYRRBYCHPCYWGG-QWRGUYRKSA-N 0 0 302.338 0.050 10 0 DCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N(C)CC1(O)CCOCC1 ZINC000162080767 287660400 /nfs/dbraw/zinc/66/04/00/287660400.db2.gz HYABLMDLZSZQEX-WDEREUQCSA-N 0 0 301.387 0.069 10 0 DCAERN Cc1ccc(CCNC(=O)C(=O)NCc2ccn(C)n2)cn1 ZINC000516500072 287666992 /nfs/dbraw/zinc/66/69/92/287666992.db2.gz MCUFVYSWROAORK-UHFFFAOYSA-N 0 0 301.350 0.099 10 0 DCAERN C[C@@H]1CC[C@@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000190303059 287688478 /nfs/dbraw/zinc/68/84/78/287688478.db2.gz QHVAENMLIDBLOX-CABCVRRESA-N 0 0 311.426 0.030 10 0 DCAERN Cn1ccc(CNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000534291808 287810263 /nfs/dbraw/zinc/81/02/63/287810263.db2.gz LQKXSQVNRGUQMA-PWSUYJOCSA-N 0 0 314.411 0.575 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)c2cncc(C(=O)OC)c2)C1 ZINC000536963994 287862635 /nfs/dbraw/zinc/86/26/35/287862635.db2.gz YUBRXVRBTLFPII-ZDUSSCGKSA-N 0 0 319.361 0.999 10 0 DCAERN CN1C(=O)C[C@@H](N2CCn3c(nnc3-c3ccccc3)C2)C1=O ZINC000174899245 276877499 /nfs/dbraw/zinc/87/74/99/276877499.db2.gz WIBLFQVMUHOEDA-GFCCVEGCSA-N 0 0 311.345 0.518 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125523210 277028463 /nfs/dbraw/zinc/02/84/63/277028463.db2.gz PGLRPJAZTXJIAM-XHDPSFHLSA-N 0 0 317.389 0.994 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000408047811 277089674 /nfs/dbraw/zinc/08/96/74/277089674.db2.gz JHJJOYDGHNTXLZ-GARJFASQSA-N 0 0 306.366 0.567 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000041230962 277093531 /nfs/dbraw/zinc/09/35/31/277093531.db2.gz GKXLSLHGHNFSDX-SNVBAGLBSA-N 0 0 307.316 0.561 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)Cn2cnnn2)c2ccccc21 ZINC000089227164 277127092 /nfs/dbraw/zinc/12/70/92/277127092.db2.gz MFKQSRUQHPNZFI-NSHDSACASA-N 0 0 301.306 0.367 10 0 DCAERN CC(C)(C)NC(=O)CN1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134361 277166050 /nfs/dbraw/zinc/16/60/50/277166050.db2.gz QBIKZZGFSAKUQC-LBPRGKRZSA-N 0 0 319.471 0.695 10 0 DCAERN COCCCNC(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369553983 277208329 /nfs/dbraw/zinc/20/83/29/277208329.db2.gz WPNFQXXDKOYQNX-OAHLLOKOSA-N 0 0 300.399 0.409 10 0 DCAERN COCCN1CC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333094764 277227420 /nfs/dbraw/zinc/22/74/20/277227420.db2.gz BOVNCDPMHMLYFA-ZOBORPQBSA-N 0 0 302.440 0.815 10 0 DCAERN CNC(=O)c1cccnc1N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299777803 277261495 /nfs/dbraw/zinc/26/14/95/277261495.db2.gz QZOJHZUOWCXSGM-QWHCGFSZSA-N 0 0 314.349 0.383 10 0 DCAERN COC(=O)[C@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248369495 277389692 /nfs/dbraw/zinc/38/96/92/277389692.db2.gz WIIWWJDTRPQUNC-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN COCCOCCS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000543686002 287962688 /nfs/dbraw/zinc/96/26/88/287962688.db2.gz XAZDEBLUUIFISN-LBPRGKRZSA-N 0 0 323.411 0.395 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112651381 277504205 /nfs/dbraw/zinc/50/42/05/277504205.db2.gz JVOPLOUVUBSJDI-SNVBAGLBSA-N 0 0 320.374 0.426 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000544589782 287978576 /nfs/dbraw/zinc/97/85/76/287978576.db2.gz XUJJLHZDBXWYNM-CHWSQXEVSA-N 0 0 309.410 0.176 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CCN2C(=O)NC[C@H]2C1 ZINC000302599041 277851640 /nfs/dbraw/zinc/85/16/40/277851640.db2.gz YDKWYHZVGYMQEH-VIFPVBQESA-N 0 0 317.324 0.991 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408325155 277950557 /nfs/dbraw/zinc/95/05/57/277950557.db2.gz WXYJNIOBXCEULS-NEPJUHHUSA-N 0 0 300.380 0.114 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000329563325 278007331 /nfs/dbraw/zinc/00/73/31/278007331.db2.gz GUGDRMMWBKQIIX-MJBXVCDLSA-N 0 0 308.378 0.594 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000373064961 278062492 /nfs/dbraw/zinc/06/24/92/278062492.db2.gz CMOACVAKPXKKCO-NWJBQHJCSA-N 0 0 304.437 0.135 10 0 DCAERN CCc1nncn1CCNC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000545968866 288008509 /nfs/dbraw/zinc/00/85/09/288008509.db2.gz PGWZOYRGGZMDGV-SNVBAGLBSA-N 0 0 305.386 0.802 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000078332591 278133672 /nfs/dbraw/zinc/13/36/72/278133672.db2.gz CUIWWZIJKFJHLG-FZMZJTMJSA-N 0 0 305.378 0.847 10 0 DCAERN COc1ccc2nc(CN3CCN4CCOC[C@H]4C3)[nH]c2n1 ZINC000546222423 288017576 /nfs/dbraw/zinc/01/75/76/288017576.db2.gz JBVPJPTYJSDJKW-LLVKDONJSA-N 0 0 303.366 0.483 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000546731819 288028806 /nfs/dbraw/zinc/02/88/06/288028806.db2.gz RGKHGAZLFHSYKB-QWHCGFSZSA-N 0 0 315.439 0.802 10 0 DCAERN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)C1(C)C ZINC000408062189 278230814 /nfs/dbraw/zinc/23/08/14/278230814.db2.gz MBMGAVYNTNEHNN-NMKXLXIOSA-N 0 0 310.394 0.729 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)n(C)c1 ZINC000342723244 278244019 /nfs/dbraw/zinc/24/40/19/278244019.db2.gz ONIRFBXLOVOGIQ-SNVBAGLBSA-N 0 0 312.391 0.923 10 0 DCAERN CC(C)(C)NC(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000408426657 278358592 /nfs/dbraw/zinc/35/85/92/278358592.db2.gz VTTSUPHCKCIAED-VXGBXAGGSA-N 0 0 302.440 0.943 10 0 DCAERN C[C@H]1CC[C@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000190303041 278382262 /nfs/dbraw/zinc/38/22/62/278382262.db2.gz QHVAENMLIDBLOX-LSDHHAIUSA-N 0 0 311.426 0.030 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1C ZINC000125828499 278396367 /nfs/dbraw/zinc/39/63/67/278396367.db2.gz PTRSWODQYOTRCB-GHMZBOCLSA-N 0 0 311.407 0.600 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000172380961 278464840 /nfs/dbraw/zinc/46/48/40/278464840.db2.gz TUHLTSZYQDMQAF-CMPLNLGQSA-N 0 0 310.375 0.949 10 0 DCAERN CCOC(=O)CNC(=O)C1CCN(c2ccncc2C#N)CC1 ZINC000547511748 288053599 /nfs/dbraw/zinc/05/35/99/288053599.db2.gz NSVSHDVCCZSEJS-UHFFFAOYSA-N 0 0 316.361 0.849 10 0 DCAERN COc1cccnc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000547790727 288079506 /nfs/dbraw/zinc/07/95/06/288079506.db2.gz BFGFFYOVHPMQAV-JTQLQIEISA-N 0 0 308.338 0.195 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000328916647 288080490 /nfs/dbraw/zinc/08/04/90/288080490.db2.gz AOCMVQZAEWFXPB-JHJVBQTASA-N 0 0 302.440 0.752 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000125343498 278938039 /nfs/dbraw/zinc/93/80/39/278938039.db2.gz PNDJUXKDYWBRHQ-NEPJUHHUSA-N 0 0 318.439 0.560 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2ccn(Cc3ccccc3)n2)C1 ZINC000548135115 288115320 /nfs/dbraw/zinc/11/53/20/288115320.db2.gz FLAUKJDDZDZTHR-CYBMUJFWSA-N 0 0 313.361 0.814 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000123355223 279319184 /nfs/dbraw/zinc/31/91/84/279319184.db2.gz OJCVGLDWDSIUQO-LBPRGKRZSA-N 0 0 317.455 0.689 10 0 DCAERN CC(C)N(C)C(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000408427665 279324025 /nfs/dbraw/zinc/32/40/25/279324025.db2.gz QDWNWLBLUOVHAD-STQMWFEESA-N 0 0 302.440 0.895 10 0 DCAERN CC(C)N(C)C(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000408427662 279324031 /nfs/dbraw/zinc/32/40/31/279324031.db2.gz QDWNWLBLUOVHAD-CHWSQXEVSA-N 0 0 302.440 0.895 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000246197736 279386491 /nfs/dbraw/zinc/38/64/91/279386491.db2.gz ONQGCCBUTDLSHV-AWEZNQCLSA-N 0 0 319.471 0.758 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)C1=O ZINC000151292805 279536536 /nfs/dbraw/zinc/53/65/36/279536536.db2.gz BEDIJYUBMAOYMM-AVGNSLFASA-N 0 0 324.425 0.729 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000174384255 279692834 /nfs/dbraw/zinc/69/28/34/279692834.db2.gz ZNZRNRMFPZPPMH-JTQLQIEISA-N 0 0 300.318 0.453 10 0 DCAERN C[C@@H](CC(=O)c1cccs1)NC(=O)CN1CCOCC1=O ZINC000548719475 288170607 /nfs/dbraw/zinc/17/06/07/288170607.db2.gz MKDRZXLDAVJTJT-JTQLQIEISA-N 0 0 310.375 0.684 10 0 DCAERN COc1nn(C)cc1NC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000548746951 288172833 /nfs/dbraw/zinc/17/28/33/288172833.db2.gz ITNFFZOZRAJSEM-HZMBPMFUSA-N 0 0 310.354 0.840 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2cnn(C)c2)C1 ZINC000548800059 288177221 /nfs/dbraw/zinc/17/72/21/288177221.db2.gz LRXMUXGXHYPACC-GFCCVEGCSA-N 0 0 318.381 0.817 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)COc1cnn(C)c1)C2 ZINC000548804631 288177732 /nfs/dbraw/zinc/17/77/32/288177732.db2.gz MNQMTQLFMPZJAO-GFCCVEGCSA-N 0 0 301.350 0.571 10 0 DCAERN Cn1cc(OCC(=O)N2CCNC(=O)c3ccccc32)cn1 ZINC000548827141 288180105 /nfs/dbraw/zinc/18/01/05/288180105.db2.gz QDDYPPHWPGLQNS-UHFFFAOYSA-N 0 0 300.318 0.576 10 0 DCAERN NS(=O)(=O)C1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000548824319 288180140 /nfs/dbraw/zinc/18/01/40/288180140.db2.gz GEJCMBUCXCPNAK-UHFFFAOYSA-N 0 0 319.427 0.266 10 0 DCAERN Cc1noc(CN2CCN(c3nnc(C(C)C)n3C)CC2)n1 ZINC000548834432 288180456 /nfs/dbraw/zinc/18/04/56/288180456.db2.gz PTLXCBCTURIXMA-UHFFFAOYSA-N 0 0 305.386 0.952 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCN(C)C1=O ZINC000549043790 288190463 /nfs/dbraw/zinc/19/04/63/288190463.db2.gz GPFQZQQXMBYRNJ-WCQYABFASA-N 0 0 305.382 0.718 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181758744 280006481 /nfs/dbraw/zinc/00/64/81/280006481.db2.gz IQQVDBYBZYKMJK-JTQLQIEISA-N 0 0 318.361 0.656 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)sc1C ZINC000549337265 288196411 /nfs/dbraw/zinc/19/64/11/288196411.db2.gz LXPYBCVQIHSWBL-AOOOYVTPSA-N 0 0 311.363 0.325 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408136017 280330224 /nfs/dbraw/zinc/33/02/24/280330224.db2.gz APEBFDCJFHBJMK-AGIUHOORSA-N 0 0 318.439 0.730 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)[C@H](C)C1 ZINC000551313097 288227196 /nfs/dbraw/zinc/22/71/96/288227196.db2.gz DKKUKKMRBWVSLJ-GFCCVEGCSA-N 0 0 319.409 0.982 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000329351595 280394893 /nfs/dbraw/zinc/39/48/93/280394893.db2.gz UEJJRIPQIPTYDL-JHJVBQTASA-N 0 0 303.424 0.941 10 0 DCAERN Cn1cnc(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)n1 ZINC000551879276 288239909 /nfs/dbraw/zinc/23/99/09/288239909.db2.gz RWLHQJZDHVXOTE-UHFFFAOYSA-N 0 0 318.312 0.562 10 0 DCAERN CC[C@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1N1CCOCC1 ZINC000408150667 288252888 /nfs/dbraw/zinc/25/28/88/288252888.db2.gz NDFLHDUNYKCAIK-KBPBESRZSA-N 0 0 323.437 0.424 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000552108706 288264952 /nfs/dbraw/zinc/26/49/52/288264952.db2.gz TUSMSMXIGLPOFG-GFCCVEGCSA-N 0 0 320.393 0.805 10 0 DCAERN COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000553082334 288286128 /nfs/dbraw/zinc/28/61/28/288286128.db2.gz AGGPFZQBPDYGSQ-LLVKDONJSA-N 0 0 302.334 0.768 10 0 DCAERN CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553072771 288286282 /nfs/dbraw/zinc/28/62/82/288286282.db2.gz RJAPCVFIWBOENZ-OAHLLOKOSA-N 0 0 304.350 0.796 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCN2C(=O)N=NC2C1 ZINC000408313223 281222758 /nfs/dbraw/zinc/22/27/58/281222758.db2.gz GJXORWJDJXDESB-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H](CO)O1 ZINC000333533573 281257864 /nfs/dbraw/zinc/25/78/64/281257864.db2.gz MQDJVUJPKOAPCB-YVECIDJPSA-N 0 0 303.424 0.977 10 0 DCAERN Cn1cc(OCC(=O)N2CCSC[C@H]2c2cnn(C)c2)cn1 ZINC000554529648 288326570 /nfs/dbraw/zinc/32/65/70/288326570.db2.gz LWZJYHKIXMLCCF-ZDUSSCGKSA-N 0 0 321.406 0.849 10 0 DCAERN Cc1noc(C2CCN(C(=O)COc3cnn(C)c3)CC2)n1 ZINC000554567133 288329233 /nfs/dbraw/zinc/32/92/33/288329233.db2.gz NQHZCDGVOTZYRM-UHFFFAOYSA-N 0 0 305.338 0.897 10 0 DCAERN C[C@@H]1C[C@@H](CCNC(=O)N(C)Cc2nnnn2C)C[C@H](C)O1 ZINC000554950985 288341943 /nfs/dbraw/zinc/34/19/43/288341943.db2.gz WZKFRBVPYKTTJU-ZSBIGDGJSA-N 0 0 310.402 0.945 10 0 DCAERN CCCN(C(=O)c1cn2cccnc2n1)[C@H]1CC(=O)N(C)C1=O ZINC000554806414 288338648 /nfs/dbraw/zinc/33/86/48/288338648.db2.gz JKSFZGZRUNLCOW-NSHDSACASA-N 0 0 315.333 0.339 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)c2cccc3ncnn32)C1 ZINC000554825418 288338986 /nfs/dbraw/zinc/33/89/86/288338986.db2.gz HJJABUUOAAXQLV-LBPRGKRZSA-N 0 0 304.350 0.997 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)Nc2nccc(N(C)C)n2)C1 ZINC000555753677 288361434 /nfs/dbraw/zinc/36/14/34/288361434.db2.gz KRTJKIQABZNANW-LBPRGKRZSA-N 0 0 320.397 0.923 10 0 DCAERN CC(C)(C)CCCNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000557616187 288425944 /nfs/dbraw/zinc/42/59/44/288425944.db2.gz AJRBUDNJFSROHI-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN CCOC(=O)[C@@H]1CSCCN1C(=O)COc1cnn(C)c1 ZINC000558634299 288451434 /nfs/dbraw/zinc/45/14/34/288451434.db2.gz VJFPUWVNQBFXAW-NSHDSACASA-N 0 0 313.379 0.306 10 0 DCAERN CCc1csc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)n1 ZINC000559031789 288464497 /nfs/dbraw/zinc/46/44/97/288464497.db2.gz FUPPVHDSYKGBOF-AOOOYVTPSA-N 0 0 311.363 0.270 10 0 DCAERN C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560985692 288522629 /nfs/dbraw/zinc/52/26/29/288522629.db2.gz FVUGDXZUALAWOR-LLVKDONJSA-N 0 0 312.333 0.674 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000087563271 288633907 /nfs/dbraw/zinc/63/39/07/288633907.db2.gz YAZJOQXJACVJGH-UWVGGRQHSA-N 0 0 314.411 0.472 10 0 DCAERN Cn1nc2c(c1NC(=O)C(=O)NCCOCC1CCC1)CCC2 ZINC000564659273 288757195 /nfs/dbraw/zinc/75/71/95/288757195.db2.gz CFGQHXFOXWBPNC-UHFFFAOYSA-N 0 0 320.393 0.780 10 0 DCAERN CN(C)c1ncc(CN(C)C(=O)NC[C@H]2CC[C@@H](CO)O2)cn1 ZINC000565458717 288853333 /nfs/dbraw/zinc/85/33/33/288853333.db2.gz DXOWIFJAZKVHGL-OLZOCXBDSA-N 0 0 323.397 0.224 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)O1 ZINC000329248102 289024889 /nfs/dbraw/zinc/02/48/89/289024889.db2.gz SHLDDFINNSXBCC-DGAVXFQQSA-N 0 0 310.394 0.792 10 0 DCAERN CN(C)S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000128718571 289254210 /nfs/dbraw/zinc/25/42/10/289254210.db2.gz KXSOWZDJOCTNRQ-NSHDSACASA-N 0 0 313.427 0.948 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@@H]1c1cccnc1 ZINC000279177337 289833586 /nfs/dbraw/zinc/83/35/86/289833586.db2.gz BLFPBENDDJIIFQ-YDHLFZDLSA-N 0 0 317.389 0.830 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023850 290081434 /nfs/dbraw/zinc/08/14/34/290081434.db2.gz WGSWNSUVWKYEMM-VHDGCEQUSA-N 0 0 319.409 0.382 10 0 DCAERN CN1CC[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110954324 290190137 /nfs/dbraw/zinc/19/01/37/290190137.db2.gz GLXOBMULANSMHE-GJZGRUSLSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CCNC[C@@H]3c3cccnc3)nn21 ZINC000261681233 292797248 /nfs/dbraw/zinc/79/72/48/292797248.db2.gz IJPMHXGYDFDZDL-CYBMUJFWSA-N 0 0 323.360 0.614 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261922294 293104825 /nfs/dbraw/zinc/10/48/25/293104825.db2.gz ZQXZEKSKYYVPLF-CYBMUJFWSA-N 0 0 321.406 0.757 10 0 DCAERN Cc1nc(C)c(C(=O)N2CC[C@@H](N3CCOCC3)C2)nc1C ZINC000185142309 293216758 /nfs/dbraw/zinc/21/67/58/293216758.db2.gz YFGUITCZIZKELT-CQSZACIVSA-N 0 0 304.394 0.949 10 0 DCAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)CNC(N)=O)CCCC2 ZINC000408038996 294176805 /nfs/dbraw/zinc/17/68/05/294176805.db2.gz QXGYRWNMUYMVTO-GFCCVEGCSA-N 0 0 305.382 0.631 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132643245 294228143 /nfs/dbraw/zinc/22/81/43/294228143.db2.gz XNWQVJGKADLAQE-QWRGUYRKSA-N 0 0 304.350 0.007 10 0 DCAERN Cn1nccc1[C@H]1[C@H](N[C@@H]2CCNC2=O)CC(=O)N1C1CC1 ZINC000328952488 294625640 /nfs/dbraw/zinc/62/56/40/294625640.db2.gz CXDSYZFJHRKYBB-JTNHKYCSSA-N 0 0 303.366 0.543 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000408150733 297228572 /nfs/dbraw/zinc/22/85/72/297228572.db2.gz NNIPDFPCMYVRAJ-GHMZBOCLSA-N 0 0 309.453 0.871 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1=O ZINC000374731862 297308180 /nfs/dbraw/zinc/30/81/80/297308180.db2.gz MNSBMKRRQRJCNW-WYUUTHIRSA-N 0 0 322.409 0.352 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408427106 297784214 /nfs/dbraw/zinc/78/42/14/297784214.db2.gz MMNSNKUGXXHCST-OHRQHGITSA-N 0 0 301.412 0.204 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248992453 297971131 /nfs/dbraw/zinc/97/11/31/297971131.db2.gz NVKYNMKAFAMHDF-BZPMIXESSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H](C(=O)N1CCN2CCOC[C@@H]2C1)n1nnnc1C(C)(C)C ZINC000371864661 298053824 /nfs/dbraw/zinc/05/38/24/298053824.db2.gz NCNIQDGZHCFGKG-NEPJUHHUSA-N 0 0 322.413 0.075 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)n1cncn1 ZINC000178000413 298061940 /nfs/dbraw/zinc/06/19/40/298061940.db2.gz DWHVQOCBIBFELK-UPJWGTAASA-N 0 0 320.349 0.783 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000249386349 298197631 /nfs/dbraw/zinc/19/76/31/298197631.db2.gz WUWDLFSUKKZICM-NXEZZACHSA-N 0 0 317.436 0.837 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000408411199 298845369 /nfs/dbraw/zinc/84/53/69/298845369.db2.gz DWGIGRIMJGJSQQ-WRWGMCAJSA-N 0 0 304.412 0.628 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000408336958 300275707 /nfs/dbraw/zinc/27/57/07/300275707.db2.gz AQWXMRUQVCRKAC-DTWKUNHWSA-N 0 0 303.302 0.758 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333104728 300286060 /nfs/dbraw/zinc/28/60/60/300286060.db2.gz CXDLYOTYGULKNQ-RNJOBUHISA-N 0 0 321.464 0.871 10 0 DCAERN Cc1cc(N2CC[C@@H](SCCS(C)(=O)=O)C2=O)n(C)n1 ZINC000172924849 301340779 /nfs/dbraw/zinc/34/07/79/301340779.db2.gz BNDBBJCKUJMGBU-SNVBAGLBSA-N 0 0 317.436 0.612 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3C(=O)NCC[C@H]3C)cnc12 ZINC000194340617 302229288 /nfs/dbraw/zinc/22/92/88/302229288.db2.gz BUSBFTNVRXQVFN-BXKDBHETSA-N 0 0 314.345 0.257 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccc(F)c2)cn1 ZINC000181692664 302925294 /nfs/dbraw/zinc/92/52/94/302925294.db2.gz XXIZGZXLIDPYFZ-AWEZNQCLSA-N 0 0 324.381 0.894 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000092230287 303334306 /nfs/dbraw/zinc/33/43/06/303334306.db2.gz RHZYSBPOWSXWBD-GDBMZVCRSA-N 0 0 317.389 0.440 10 0 DCAERN O=C(c1ncccc1Br)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388089917 1159127996 /nfs/dbraw/zinc/12/79/96/1159127996.db2.gz MDOPXQNZQGJMLA-KNVOCYPGSA-N 0 0 324.134 0.189 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1CCCn2ccnc21 ZINC000332676086 332854708 /nfs/dbraw/zinc/85/47/08/332854708.db2.gz CDRWCSLLNYNYIN-QJPTWQEYSA-N 0 0 305.382 0.727 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000332826597 332879526 /nfs/dbraw/zinc/87/95/26/332879526.db2.gz LNEAKUYVDYOTKC-YIYPIFLZSA-N 0 0 321.381 0.286 10 0 DCAERN COc1cc2c(ccnc2OC[C@H]2CCC(=O)N2)cc1C(N)=O ZINC000584639730 337379853 /nfs/dbraw/zinc/37/98/53/337379853.db2.gz DKOZNISSKWTTSU-SNVBAGLBSA-N 0 0 315.329 1.000 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCOCC1CCC1 ZINC000577333645 341904500 /nfs/dbraw/zinc/90/45/00/341904500.db2.gz OTHNTJHEMLRCLJ-UHFFFAOYSA-N 0 0 321.377 0.565 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2nc3c(s2)CCC3)CC1 ZINC000577840426 341942027 /nfs/dbraw/zinc/94/20/27/341942027.db2.gz UVDNLXIPGMNGJZ-UHFFFAOYSA-N 0 0 322.434 0.526 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@]1(O)CCOC1)C(C)C ZINC000178953324 341973382 /nfs/dbraw/zinc/97/33/82/341973382.db2.gz MXWDFHGDMGXURE-HIFRSBDPSA-N 0 0 300.399 0.441 10 0 DCAERN Cc1c(C(=O)N2CC[C@@]3(CCOC3)C2)cccc1S(N)(=O)=O ZINC000158560358 533764495 /nfs/dbraw/zinc/76/44/95/533764495.db2.gz JPDDKIOZFXALHF-OAHLLOKOSA-N 0 0 324.402 0.895 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CCC1=O ZINC000189044576 533971272 /nfs/dbraw/zinc/97/12/72/533971272.db2.gz FBYYGKWYXZIYSL-NSHDSACASA-N 0 0 324.402 0.988 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CCCF)CCO2)n1 ZINC000175568392 534114243 /nfs/dbraw/zinc/11/42/43/534114243.db2.gz CPUDLUJHHUUEPL-ZDUSSCGKSA-N 0 0 319.402 0.890 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CC1CCOCC1 ZINC000173042608 534214927 /nfs/dbraw/zinc/21/49/27/534214927.db2.gz KAZZJMSZZXCECX-PWSUYJOCSA-N 0 0 304.412 0.329 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1C ZINC000189304255 534264136 /nfs/dbraw/zinc/26/41/36/534264136.db2.gz XWQNPDQVPLONAX-KBPBESRZSA-N 0 0 322.405 0.623 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C[C@H](CO)O1 ZINC000193507590 534297235 /nfs/dbraw/zinc/29/72/35/534297235.db2.gz LHSOLBIUODTCIH-ZWNOBZJWSA-N 0 0 317.345 0.715 10 0 DCAERN C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCN1CCO ZINC000188795931 534302620 /nfs/dbraw/zinc/30/26/20/534302620.db2.gz OZPWNMZQWXQUOM-KGLIPLIRSA-N 0 0 300.399 0.097 10 0 DCAERN COC[C@@]1(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CCOC1 ZINC000333067391 518087454 /nfs/dbraw/zinc/08/74/54/518087454.db2.gz JIRZPZXMOLMZBE-FMKPAKJESA-N 0 0 312.410 0.361 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2ccccn2)[C@H](C)CO1 ZINC000178912731 518180166 /nfs/dbraw/zinc/18/01/66/518180166.db2.gz CXRRIZFVKOPSOW-CHWSQXEVSA-N 0 0 313.423 0.958 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCC[C@@H]2CO)n2ncnc2n1 ZINC000191049069 534398867 /nfs/dbraw/zinc/39/88/67/534398867.db2.gz XLPQUDITDXOYSY-VXGBXAGGSA-N 0 0 318.381 0.047 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)CCCO ZINC000366228022 519525227 /nfs/dbraw/zinc/52/52/27/519525227.db2.gz WDKMUVJTVHXUJM-ZDUSSCGKSA-N 0 0 306.428 0.422 10 0 DCAERN CC(=O)NC1CN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000191504325 519647470 /nfs/dbraw/zinc/64/74/70/519647470.db2.gz NSDWOKZPIATXFO-UHFFFAOYSA-N 0 0 318.377 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnc(Cl)c(C)c2)C1 ZINC000191349257 519647689 /nfs/dbraw/zinc/64/76/89/519647689.db2.gz HUZIYLSSWSXNRM-UHFFFAOYSA-N 0 0 310.741 0.329 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000191344299 519647886 /nfs/dbraw/zinc/64/78/86/519647886.db2.gz UUGWWKLBEUQBPA-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc(OCC3CC3)nc2)C1 ZINC000189962777 519648393 /nfs/dbraw/zinc/64/83/93/519648393.db2.gz OWSVWBMSWGMFJL-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)CCc1ccnn1C ZINC000130673280 519650342 /nfs/dbraw/zinc/65/03/42/519650342.db2.gz NAZSLQPTABEWAA-UHFFFAOYSA-N 0 0 301.412 0.634 10 0 DCAERN CC(=O)NCCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000162685483 519660113 /nfs/dbraw/zinc/66/01/13/519660113.db2.gz HJALXKQSOVWAIS-UHFFFAOYSA-N 0 0 305.338 0.484 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)CCCF)CC2)n1 ZINC000175568345 534439257 /nfs/dbraw/zinc/43/92/57/534439257.db2.gz XCOGXEAEHPXODI-SNVBAGLBSA-N 0 0 320.390 0.746 10 0 DCAERN CC(C)NS(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000373680009 519731822 /nfs/dbraw/zinc/73/18/22/519731822.db2.gz ISELGZNYBJYDFQ-UHFFFAOYSA-N 0 0 322.394 0.399 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156974317 519766554 /nfs/dbraw/zinc/76/65/54/519766554.db2.gz DFLJCKQUWOKCBH-JTQLQIEISA-N 0 0 317.329 0.583 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNC(=O)CNC(=O)c1cccnc1 ZINC000127716904 519800000 /nfs/dbraw/zinc/80/00/00/519800000.db2.gz XDNRBZHRXLZRKL-CQSZACIVSA-N 0 0 307.394 0.971 10 0 DCAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1)C(N)=O ZINC000192088303 519817949 /nfs/dbraw/zinc/81/79/49/519817949.db2.gz XDBXFLKLKZKHMP-SKDRFNHKSA-N 0 0 321.381 0.419 10 0 DCAERN CCN(C(=O)CNC(=O)CNC(C)=O)[C@H](C)c1cccnc1 ZINC000115471411 519914702 /nfs/dbraw/zinc/91/47/02/519914702.db2.gz PUYQWUWQRCULAF-LLVKDONJSA-N 0 0 306.366 0.243 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N(C)Cc1ccc(C)o1 ZINC000125311355 520052038 /nfs/dbraw/zinc/05/20/38/520052038.db2.gz CTSMSZPHQBENSK-UHFFFAOYSA-N 0 0 318.395 0.502 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)NCCNC(=O)c1ccccc1 ZINC000189952685 520194341 /nfs/dbraw/zinc/19/43/41/520194341.db2.gz MHBXPWFZAAHGHQ-GFCCVEGCSA-N 0 0 320.393 0.582 10 0 DCAERN CC1(C)CN(C(=O)NCCCn2cccn2)CCS1(=O)=O ZINC000157809641 520435555 /nfs/dbraw/zinc/43/55/55/520435555.db2.gz HQIFFLDLAMJEJY-UHFFFAOYSA-N 0 0 314.411 0.492 10 0 DCAERN CCOC(=O)CCN1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000105908841 520681687 /nfs/dbraw/zinc/68/16/87/520681687.db2.gz XUZHPPUDHFHQDQ-UHFFFAOYSA-N 0 0 318.381 0.508 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000115955872 520692895 /nfs/dbraw/zinc/69/28/95/520692895.db2.gz RXAWGQRBKTVVQY-GFCCVEGCSA-N 0 0 315.395 0.840 10 0 DCAERN CC1(CNC(=O)CNC(=O)c2ccc(F)cc2)OCCCO1 ZINC000191134039 520706205 /nfs/dbraw/zinc/70/62/05/520706205.db2.gz XTECGHYYMZVPSO-UHFFFAOYSA-N 0 0 310.325 0.825 10 0 DCAERN CC1(CNC(=O)CNC(=O)c2cccc(F)c2)OCCCO1 ZINC000191142947 520707074 /nfs/dbraw/zinc/70/70/74/520707074.db2.gz VCZNCOIVACQDEM-UHFFFAOYSA-N 0 0 310.325 0.825 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@H]1CO)N1CCC[C@H](C(F)(F)F)C1 ZINC000186481736 534555759 /nfs/dbraw/zinc/55/57/59/534555759.db2.gz OYORXNFZTXQUDM-DCAQKATOSA-N 0 0 310.316 0.215 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC000247465848 521618928 /nfs/dbraw/zinc/61/89/28/521618928.db2.gz RFWJEKBTGPUTAK-CHWSQXEVSA-N 0 0 319.471 0.935 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCn2cc(C)cn2)C1 ZINC000132183566 521740454 /nfs/dbraw/zinc/74/04/54/521740454.db2.gz RQHWIRIIPXNSIB-LBPRGKRZSA-N 0 0 308.386 0.295 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCO1 ZINC000183506319 521764502 /nfs/dbraw/zinc/76/45/02/521764502.db2.gz YUUKWXPGZRPWGV-GFCCVEGCSA-N 0 0 316.317 0.324 10 0 DCAERN CNC(=O)c1cccnc1N1CCCN(C(=O)C2CC2)CC1 ZINC000152847145 521921094 /nfs/dbraw/zinc/92/10/94/521921094.db2.gz QCDQGSHWGAWVCC-UHFFFAOYSA-N 0 0 302.378 0.890 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000129230466 522205722 /nfs/dbraw/zinc/20/57/22/522205722.db2.gz HIWQYSQEHXYBMF-CYBMUJFWSA-N 0 0 306.410 0.676 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(NC(C)=O)C1 ZINC000190245409 522514026 /nfs/dbraw/zinc/51/40/26/522514026.db2.gz HUVBTCYNNPZJAV-LLVKDONJSA-N 0 0 306.370 0.205 10 0 DCAERN CN(CC1(CO)CC1)C(=O)Nc1cccnc1-n1cncn1 ZINC000187965357 522594530 /nfs/dbraw/zinc/59/45/30/522594530.db2.gz UUIGSDYZERKFHH-UHFFFAOYSA-N 0 0 302.338 0.899 10 0 DCAERN COCC(=O)N(C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000127626168 522722334 /nfs/dbraw/zinc/72/23/34/522722334.db2.gz LUBJQJPGGLEKNP-UHFFFAOYSA-N 0 0 316.361 0.593 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000128140898 522998975 /nfs/dbraw/zinc/99/89/75/522998975.db2.gz UHLWLTSTNGDSAG-CYBMUJFWSA-N 0 0 306.410 0.748 10 0 DCAERN COCc1cccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000188157760 523040457 /nfs/dbraw/zinc/04/04/57/523040457.db2.gz KTBCTUFHTYHMNV-UHFFFAOYSA-N 0 0 317.345 0.412 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccnc1 ZINC000129497143 523219782 /nfs/dbraw/zinc/21/97/82/523219782.db2.gz ABJNYAWGXBVUEM-NSHDSACASA-N 0 0 323.378 0.633 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)CCCF)CCO2)cn1 ZINC000189229456 523483070 /nfs/dbraw/zinc/48/30/70/523483070.db2.gz ONWKJALAFQFGID-GFCCVEGCSA-N 0 0 305.375 0.966 10 0 DCAERN CC[C@](NC(=O)c1ccc2nnn(C)c2c1)(C(N)=O)C(C)C ZINC000185732213 523529281 /nfs/dbraw/zinc/52/92/81/523529281.db2.gz XZUAZLGIMAPXHJ-OAHLLOKOSA-N 0 0 303.366 0.988 10 0 DCAERN COC(=O)[C@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105921936 523879967 /nfs/dbraw/zinc/87/99/67/523879967.db2.gz NHZZBPHGGWCACG-LSDHHAIUSA-N 0 0 322.405 0.605 10 0 DCAERN COCCNC(=O)CNC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000156279819 523895432 /nfs/dbraw/zinc/89/54/32/523895432.db2.gz AYYVESQTZKHDIY-JTQLQIEISA-N 0 0 309.370 0.738 10 0 DCAERN COc1ccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150740653 523911463 /nfs/dbraw/zinc/91/14/63/523911463.db2.gz SZMYSTBYPDDDCU-UHFFFAOYSA-N 0 0 303.318 0.274 10 0 DCAERN CN1CCOc2ccc(NC(=O)N3CCO[C@@H](CO)C3)cc21 ZINC000267430276 523954172 /nfs/dbraw/zinc/95/41/72/523954172.db2.gz BYFNXLWXASDXEL-GFCCVEGCSA-N 0 0 307.350 0.740 10 0 DCAERN CN1C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)CCC1=O ZINC000130982155 524009526 /nfs/dbraw/zinc/00/95/26/524009526.db2.gz XPKLKOPDAHHORY-ZDUSSCGKSA-N 0 0 321.352 0.221 10 0 DCAERN CN1C[C@H](NC(=O)CCCNC(=O)c2ccsc2)CCC1=O ZINC000133415704 524021901 /nfs/dbraw/zinc/02/19/01/524021901.db2.gz HWCVEVXXHIXSTG-GFCCVEGCSA-N 0 0 323.418 0.995 10 0 DCAERN CN1C[C@H](NC(=O)NCCCNc2ccccn2)CCC1=O ZINC000126990173 524023345 /nfs/dbraw/zinc/02/33/45/524023345.db2.gz KANTVBHHDZJPRL-GFCCVEGCSA-N 0 0 305.382 0.804 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H](O)c2cccc(F)c2)CCC1=O ZINC000128810142 524023828 /nfs/dbraw/zinc/02/38/28/524023828.db2.gz HDMAWYJFMCHGES-OLZOCXBDSA-N 0 0 309.341 0.779 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000124359430 524075108 /nfs/dbraw/zinc/07/51/08/524075108.db2.gz CLHXKADBPXICLW-STQMWFEESA-N 0 0 320.389 0.990 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000188670657 524312887 /nfs/dbraw/zinc/31/28/87/524312887.db2.gz HYALFQCOSNZUNR-MRVPVSSYSA-N 0 0 304.343 0.388 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000155606182 524416875 /nfs/dbraw/zinc/41/68/75/524416875.db2.gz APBVLRZGYKWKFB-CYBMUJFWSA-N 0 0 310.419 0.730 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)[C@H]1CO ZINC000190343198 524466918 /nfs/dbraw/zinc/46/69/18/524466918.db2.gz BDVWNNNCBOBEJZ-MCIONIFRSA-N 0 0 319.409 0.858 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000187987102 524569126 /nfs/dbraw/zinc/56/91/26/524569126.db2.gz AHMLGVDXYKJFAK-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COCc2cccs2)CCS1(=O)=O ZINC000151057726 524973861 /nfs/dbraw/zinc/97/38/61/524973861.db2.gz VBLVMUGWMOBIHH-NEPJUHHUSA-N 0 0 319.448 0.745 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)CCc1ccnn1C ZINC000121407299 525079006 /nfs/dbraw/zinc/07/90/06/525079006.db2.gz ROURWJCQNFZZDL-UHFFFAOYSA-N 0 0 304.354 0.856 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000133334320 525208358 /nfs/dbraw/zinc/20/83/58/525208358.db2.gz GVDDTXUOCMBWMN-TZMCWYRMSA-N 0 0 324.402 0.451 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000116930011 525208521 /nfs/dbraw/zinc/20/85/21/525208521.db2.gz IWAQDRLAAAYQTA-SECBINFHSA-N 0 0 301.343 0.981 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000116834528 525210925 /nfs/dbraw/zinc/21/09/25/525210925.db2.gz LMWJKAROUSQHHR-SECBINFHSA-N 0 0 304.318 0.729 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000246896627 525247174 /nfs/dbraw/zinc/24/71/74/525247174.db2.gz BYFJEXFGFNUSER-AXFHLTTASA-N 0 0 307.350 0.558 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000128678550 525431465 /nfs/dbraw/zinc/43/14/65/525431465.db2.gz ZSOXNVFHWAFBIS-TZMCWYRMSA-N 0 0 305.378 0.948 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)Cn1cc(Br)ccc1=O ZINC000163017829 525697208 /nfs/dbraw/zinc/69/72/08/525697208.db2.gz SZVLJXWFNIFUOI-QMMMGPOBSA-N 0 0 317.183 0.886 10 0 DCAERN C[C@H](C(=O)NCCc1nc(-c2ccccc2)n[nH]1)S(C)(=O)=O ZINC000189797706 526058975 /nfs/dbraw/zinc/05/89/75/526058975.db2.gz ASBKFBWDZVIUNV-SNVBAGLBSA-N 0 0 322.390 0.564 10 0 DCAERN Cc1cc(-c2nnc(SCC(=O)NC(C)(C)C)n2N)n[nH]1 ZINC000125507014 526061250 /nfs/dbraw/zinc/06/12/50/526061250.db2.gz MTCFZTAZZLYRDY-UHFFFAOYSA-N 0 0 309.399 0.697 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2COCCN2C2CCCC2)c1 ZINC000189047115 526262999 /nfs/dbraw/zinc/26/29/99/526262999.db2.gz TUZHTUDEKJAANJ-OAHLLOKOSA-N 0 0 306.410 0.951 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NC[C@@H]1CC[C@@H](O)C1 ZINC000189952417 526333097 /nfs/dbraw/zinc/33/30/97/526333097.db2.gz FWIXVUYVLLIQMI-TZMCWYRMSA-N 0 0 305.378 0.877 10 0 DCAERN O=C(NCCOCc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000364991274 526355329 /nfs/dbraw/zinc/35/53/29/526355329.db2.gz SJJPLDHUWJLYOY-INIZCTEOSA-N 0 0 319.405 0.929 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCO[C@@H](C)C1 ZINC000330778987 526484705 /nfs/dbraw/zinc/48/47/05/526484705.db2.gz LYHMFVHYOUYJTB-NSHDSACASA-N 0 0 319.361 0.855 10 0 DCAERN Cc1nc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000152331469 526788989 /nfs/dbraw/zinc/78/89/89/526788989.db2.gz ZNEVRMRJADBYDY-SNVBAGLBSA-N 0 0 317.436 0.453 10 0 DCAERN O=C(CN1CSCC1=O)N1CCC(Cn2cccn2)CC1 ZINC000126111189 526816759 /nfs/dbraw/zinc/81/67/59/526816759.db2.gz AHYQKAKGMJUHFN-UHFFFAOYSA-N 0 0 308.407 0.655 10 0 DCAERN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)N1CC(CO)C1 ZINC000191001113 526856610 /nfs/dbraw/zinc/85/66/10/526856610.db2.gz HULTUSMIXINUBW-HNNXBMFYSA-N 0 0 317.389 0.984 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccnc(N2CCCC2)n1 ZINC000267809689 526917643 /nfs/dbraw/zinc/91/76/43/526917643.db2.gz BTLUBWRROZTXOQ-LLVKDONJSA-N 0 0 313.365 0.933 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2ccnn2)cc1 ZINC000127516882 526958772 /nfs/dbraw/zinc/95/87/72/526958772.db2.gz CTKUVMVNIVNCJS-GFCCVEGCSA-N 0 0 309.333 0.604 10 0 DCAERN O=C1CCC(=O)N1CCN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159295060 526963382 /nfs/dbraw/zinc/96/33/82/526963382.db2.gz OALQJLONTYFWIG-QWHCGFSZSA-N 0 0 322.361 0.553 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)N1CC(CO)C1 ZINC000189704364 527026638 /nfs/dbraw/zinc/02/66/38/527026638.db2.gz RYJZSSYBRSTMJI-ZDUSSCGKSA-N 0 0 321.352 0.955 10 0 DCAERN NC(=O)c1ccc(N2CCN(S(=O)(=O)CC3CC3)CC2)cc1 ZINC000267268900 527058083 /nfs/dbraw/zinc/05/80/83/527058083.db2.gz YBXPWSLVLLTPQY-UHFFFAOYSA-N 0 0 323.418 0.647 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000186771740 527060799 /nfs/dbraw/zinc/06/07/99/527060799.db2.gz AQCSEMWLASQFNB-UHFFFAOYSA-N 0 0 302.334 0.528 10 0 DCAERN O=Cc1ccc(OCC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000160403557 527149069 /nfs/dbraw/zinc/14/90/69/527149069.db2.gz KYNDGSDPWPDKLC-MRXNPFEDSA-N 0 0 318.373 0.857 10 0 DCAERN Cn1cc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154431552 527179744 /nfs/dbraw/zinc/17/97/44/527179744.db2.gz UWZFQMKZGAHIKT-CYBMUJFWSA-N 0 0 302.382 0.481 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000270481090 527181869 /nfs/dbraw/zinc/18/18/69/527181869.db2.gz IZTNEJSCAXTUDH-SECBINFHSA-N 0 0 322.390 0.605 10 0 DCAERN Cn1cc(CNC(=O)NCC(C)(C)C(N)=O)c(C(F)(F)F)n1 ZINC000157843346 527210626 /nfs/dbraw/zinc/21/06/26/527210626.db2.gz LVSPHAPPUXKKGD-UHFFFAOYSA-N 0 0 321.303 0.750 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000162981315 527296999 /nfs/dbraw/zinc/29/69/99/527296999.db2.gz RTDXIBGDABIZNU-CHWSQXEVSA-N 0 0 315.439 0.551 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cn3)C2)cn1 ZINC000193272941 527299839 /nfs/dbraw/zinc/29/98/39/527299839.db2.gz ZXJPMDMUCPSGBU-SNVBAGLBSA-N 0 0 317.324 0.909 10 0 DCAERN Cn1cc([C@@H]2CCN(Cc3nnnn3CC(F)(F)F)C2)cn1 ZINC000190897605 527300925 /nfs/dbraw/zinc/30/09/25/527300925.db2.gz DIUWGKLDRVNVOM-SECBINFHSA-N 0 0 315.303 0.958 10 0 DCAERN O=C(Nc1ccc2scnc2c1)C(=O)N1CCNC(=O)CC1 ZINC000190435206 527307868 /nfs/dbraw/zinc/30/78/68/527307868.db2.gz UDKDLIRPDCYFOD-UHFFFAOYSA-N 0 0 318.358 0.583 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000123260386 527367417 /nfs/dbraw/zinc/36/74/17/527367417.db2.gz XOQULHSXUIKQRN-IAQYHMDHSA-N 0 0 306.366 0.512 10 0 DCAERN O=C(NC1CN(C[C@@H](O)COCc2ccccc2F)C1)C1CC1 ZINC000187978360 527543875 /nfs/dbraw/zinc/54/38/75/527543875.db2.gz LPRGKUQZGOZZDT-OAHLLOKOSA-N 0 0 322.380 0.914 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC000157758771 527587295 /nfs/dbraw/zinc/58/72/95/527587295.db2.gz ZVVBVFYSWUOYSK-NSHDSACASA-N 0 0 321.425 0.556 10 0 DCAERN Cn1nccc1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000157115659 527607662 /nfs/dbraw/zinc/60/76/62/527607662.db2.gz FSPKBAQEHCWYDU-UHFFFAOYSA-N 0 0 300.384 0.139 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@@H]1COc2ccccc2O1 ZINC000170570624 527662839 /nfs/dbraw/zinc/66/28/39/527662839.db2.gz WHWPOLDEFNIHMR-AWEZNQCLSA-N 0 0 304.346 0.955 10 0 DCAERN FC(F)(F)Cn1ccnc1CN1CCN2CCOC[C@@H]2C1 ZINC000368813841 527674308 /nfs/dbraw/zinc/67/43/08/527674308.db2.gz LKHBIWRSLJKFQI-NSHDSACASA-N 0 0 304.316 0.962 10 0 DCAERN O=C(NCCCNC(=O)[C@@H]1COCCN1)c1cccc(F)c1 ZINC000157702047 527675597 /nfs/dbraw/zinc/67/55/97/527675597.db2.gz DXPSNXGOHLVWJT-ZDUSSCGKSA-N 0 0 309.341 0.050 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187945630 527699270 /nfs/dbraw/zinc/69/92/70/527699270.db2.gz PLEPHEXTSDBLET-QMMMGPOBSA-N 0 0 312.333 0.851 10 0 DCAERN CCOC(=O)[C@@H](C)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000176421821 527720466 /nfs/dbraw/zinc/72/04/66/527720466.db2.gz LPHQIZYJFGIKFX-VIFPVBQESA-N 0 0 303.318 0.852 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000187844180 527742567 /nfs/dbraw/zinc/74/25/67/527742567.db2.gz BXSLOXDWXULPFC-LDYMZIIASA-N 0 0 311.304 0.562 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC000176358322 527951564 /nfs/dbraw/zinc/95/15/64/527951564.db2.gz FFZWSEBCRPMNKQ-KGLIPLIRSA-N 0 0 309.410 0.762 10 0 DCAERN CC(C)c1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)s1 ZINC000186250222 528063165 /nfs/dbraw/zinc/06/31/65/528063165.db2.gz UCTOHYWBLVFLRO-UHFFFAOYSA-N 0 0 317.436 0.833 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)Cn2nc3ccccn3c2=O)O1 ZINC000189632700 529039853 /nfs/dbraw/zinc/03/98/53/529039853.db2.gz FFCARWHTKXDEMX-LLVKDONJSA-N 0 0 304.350 0.570 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@@](O)(C(N)=O)C1 ZINC000285126679 534922202 /nfs/dbraw/zinc/92/22/02/534922202.db2.gz SDYNNSYYAMJQAQ-HWPZZCPQSA-N 0 0 319.361 0.138 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2cccn2C)CC12COC2 ZINC000454601412 535668029 /nfs/dbraw/zinc/66/80/29/535668029.db2.gz TVHFLDWEHOSQSV-CYBMUJFWSA-N 0 0 321.377 0.746 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000283972270 536436875 /nfs/dbraw/zinc/43/68/75/536436875.db2.gz GZBSCXYQLGIYEV-GJZGRUSLSA-N 0 0 317.389 0.591 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000457625357 536879353 /nfs/dbraw/zinc/87/93/53/536879353.db2.gz HXBSCXLYAWLHOL-CYBMUJFWSA-N 0 0 317.345 0.631 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000057946685 545657654 /nfs/dbraw/zinc/65/76/54/545657654.db2.gz RFGXGABZLODUMC-OLZOCXBDSA-N 0 0 302.415 0.389 10 0 DCAERN O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)COCc1ccco1 ZINC000071814176 545663002 /nfs/dbraw/zinc/66/30/02/545663002.db2.gz WCCQGDJVTPPNGG-WCQYABFASA-N 0 0 308.334 0.974 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775048 545671408 /nfs/dbraw/zinc/67/14/08/545671408.db2.gz QJOAHQZFFDJJJE-AWEZNQCLSA-N 0 0 316.398 0.918 10 0 DCAERN CN1C[C@H](NS(=O)(=O)c2ccc(N)cc2F)CCC1=O ZINC000084060018 545698752 /nfs/dbraw/zinc/69/87/52/545698752.db2.gz VSKKNNFFVSQAQY-SECBINFHSA-N 0 0 301.343 0.307 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1CCCC[C@H]1CO ZINC000130052287 545785896 /nfs/dbraw/zinc/78/58/96/545785896.db2.gz UUFMMJACZLSCDE-QWHCGFSZSA-N 0 0 318.439 0.662 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@H](C)O1 ZINC000177831873 545892885 /nfs/dbraw/zinc/89/28/85/545892885.db2.gz QZCNKOQWEZZEII-QWRGUYRKSA-N 0 0 306.366 0.867 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177952078 545893976 /nfs/dbraw/zinc/89/39/76/545893976.db2.gz FGASWWCLZICXLF-TZMCWYRMSA-N 0 0 320.393 0.899 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H](C)CO ZINC000179430515 545899359 /nfs/dbraw/zinc/89/93/59/545899359.db2.gz DWQHSVPGDFPYTM-ZJUUUORDSA-N 0 0 300.380 0.389 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NC(CO)CO)[C@@H]1c1ccccc1 ZINC000183631500 545908561 /nfs/dbraw/zinc/90/85/61/545908561.db2.gz OXSIQNUNCKYWJS-ZFWWWQNUSA-N 0 0 306.362 0.066 10 0 DCAERN CN(C)c1noc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)n1 ZINC000185248005 545912610 /nfs/dbraw/zinc/91/26/10/545912610.db2.gz XRGMHMXSFCTJPW-GFCCVEGCSA-N 0 0 307.398 0.874 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000188857098 545918047 /nfs/dbraw/zinc/91/80/47/545918047.db2.gz JNOUIJABMZBPGB-ZYHUDNBSSA-N 0 0 301.346 0.849 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc3nncn3c2)CC1=O ZINC000189313426 545920167 /nfs/dbraw/zinc/92/01/67/545920167.db2.gz JIGOHUROPBPGKC-UHFFFAOYSA-N 0 0 317.349 0.050 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000192990212 545930324 /nfs/dbraw/zinc/93/03/24/545930324.db2.gz FAKMAUODRYETPE-KGLIPLIRSA-N 0 0 303.362 0.730 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCc1ccc(CO)cc1 ZINC000242583235 545960855 /nfs/dbraw/zinc/96/08/55/545960855.db2.gz CHYHDMAMUSFVKY-UHFFFAOYSA-N 0 0 305.378 0.991 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C ZINC000246087637 545963098 /nfs/dbraw/zinc/96/30/98/545963098.db2.gz IZMQIHYXFWPKKV-RDBSUJKOSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000249039370 545970592 /nfs/dbraw/zinc/97/05/92/545970592.db2.gz BAEODBIZXGJCJN-QWRGUYRKSA-N 0 0 310.441 0.082 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000332894580 546064876 /nfs/dbraw/zinc/06/48/76/546064876.db2.gz WMVPKDBBGHRHQS-YNEHKIRRSA-N 0 0 318.439 0.662 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000332960428 546067372 /nfs/dbraw/zinc/06/73/72/546067372.db2.gz VLVORABRYGEWDF-XQQFMLRXSA-N 0 0 320.393 0.847 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000333405644 546079880 /nfs/dbraw/zinc/07/98/80/546079880.db2.gz FZUTXUFXWAKANH-WCFLWFBJSA-N 0 0 306.366 0.235 10 0 DCAERN C[C@@]1(F)CNCCN(C(=O)NCC2(N3CCOCC3)CC2)C1 ZINC000333730795 546089808 /nfs/dbraw/zinc/08/98/08/546089808.db2.gz HTHBQGJZXSCACR-CQSZACIVSA-N 0 0 314.405 0.194 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](F)C3)C2=O)cn1 ZINC000333984184 546096658 /nfs/dbraw/zinc/09/66/58/546096658.db2.gz FHDUPPXEZWITGI-ZYHUDNBSSA-N 0 0 309.345 0.669 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(N)cc1F ZINC000392843847 546220115 /nfs/dbraw/zinc/22/01/15/546220115.db2.gz AKYAWBSXUURHQS-XCBNKYQSSA-N 0 0 301.343 0.353 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCCOCC1 ZINC000519472993 546281518 /nfs/dbraw/zinc/28/15/18/546281518.db2.gz MVBSIEJNVCEWIK-NSHDSACASA-N 0 0 321.381 0.041 10 0 DCAERN C[C@@H](O)[C@@H](C)n1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000530798800 546288491 /nfs/dbraw/zinc/28/84/91/546288491.db2.gz MXRABYPWVINIAC-NXEZZACHSA-N 0 0 315.333 0.454 10 0 DCAERN O=S1(=O)CCCN1CCCNc1ncnc2ccccc21 ZINC000585744844 546303842 /nfs/dbraw/zinc/30/38/42/546303842.db2.gz ARZFYFCTQLVIFT-UHFFFAOYSA-N 0 0 306.391 1.467 10 0 DCAERN O=c1[nH]c(NCCCN2CCCS2(=O)=O)nc2ccccc21 ZINC000585744756 546304007 /nfs/dbraw/zinc/30/40/07/546304007.db2.gz XMDRWXRPOPGSQN-UHFFFAOYSA-N 0 0 322.390 1.173 10 0 DCAERN CS(=O)(=O)c1cnn(-c2cnc(Br)cn2)c1 ZINC000725242099 548749175 /nfs/dbraw/zinc/74/91/75/548749175.db2.gz FVIQNXZQYLUWDW-UHFFFAOYSA-N 0 0 303.141 0.828 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3nc(CO)nn32)C1 ZINC000232498045 563961810 /nfs/dbraw/zinc/96/18/10/563961810.db2.gz LYJRFLNHCAJBMX-VHSXEESVSA-N 0 0 309.370 0.994 10 0 DCAERN CCc1cc(C)nc(N2CC(N3C[C@H](C(=O)NC)CC3=O)C2)n1 ZINC000888098356 661177182 /nfs/dbraw/zinc/17/71/82/661177182.db2.gz GMDURKVYWODLTA-LLVKDONJSA-N 0 0 317.393 0.131 10 0 DCAERN Cn1cc(OC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000179932725 665411695 /nfs/dbraw/zinc/41/16/95/665411695.db2.gz FKXBGMMHTALKAM-UHFFFAOYSA-N 0 0 300.274 0.029 10 0 DCAERN O=C(NC/C=C/c1ccccc1)C1=NN(CCO)C(=O)CC1 ZINC000180572682 665445518 /nfs/dbraw/zinc/44/55/18/665445518.db2.gz OHAWDMDKCIDTFR-QPJJXVBHSA-N 0 0 301.346 0.787 10 0 DCAERN CO[C@H](C)c1nc(C)c(C(=O)NCCS(C)(=O)=O)s1 ZINC000176030340 657458747 /nfs/dbraw/zinc/45/87/47/657458747.db2.gz VMBLYDUXLHENLU-MRVPVSSYSA-N 0 0 306.409 0.933 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCC[C@H]1C(N)=O ZINC000255574473 657643558 /nfs/dbraw/zinc/64/35/58/657643558.db2.gz HVFOJFYKORDAHQ-AAEUAGOBSA-N 0 0 319.409 0.554 10 0 DCAERN CCOCCCNC(=S)NCC(C)(C)CS(C)(=O)=O ZINC000723865646 657679621 /nfs/dbraw/zinc/67/96/21/657679621.db2.gz AOXLJSSDROWLNP-UHFFFAOYSA-N 0 0 310.485 0.948 10 0 DCAERN Cc1nc(CNC(=O)c2cccc(C(=O)N3CCCC3)n2)no1 ZINC000121087341 657708135 /nfs/dbraw/zinc/70/81/35/657708135.db2.gz PFERDKWXVPOSNL-UHFFFAOYSA-N 0 0 315.333 0.939 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000356356540 665519266 /nfs/dbraw/zinc/51/92/66/665519266.db2.gz VKHJOWQTFAJRCC-OLZOCXBDSA-N 0 0 312.366 0.897 10 0 DCAERN CN(CC1CCCCC1)C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725018637 658022045 /nfs/dbraw/zinc/02/20/45/658022045.db2.gz QNBSKJQJEBQFMD-ZDUSSCGKSA-N 0 0 302.440 0.802 10 0 DCAERN C[C@@H]1CCC[C@H](N(C)C(=O)C[C@H]2CNCCS2(=O)=O)C1 ZINC000725019238 658022139 /nfs/dbraw/zinc/02/21/39/658022139.db2.gz YGMSHEPJKOOIRU-AGIUHOORSA-N 0 0 302.440 0.800 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)c1cnn(C)c1I ZINC000306671195 658101493 /nfs/dbraw/zinc/10/14/93/658101493.db2.gz FUPGJPVFDNBZMO-WDSKDSINSA-N 0 0 323.134 0.524 10 0 DCAERN C[C@H](CN1CCN(C2=NC[C@H](C)S2)CC1)CS(C)(=O)=O ZINC000119581693 658141489 /nfs/dbraw/zinc/14/14/89/658141489.db2.gz LSKHAGQBWQZHGV-NEPJUHHUSA-N 0 0 319.496 0.776 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000722678872 658278690 /nfs/dbraw/zinc/27/86/90/658278690.db2.gz GUKSTFAXWSILBS-JQWIXIFHSA-N 0 0 306.366 0.933 10 0 DCAERN COCCN(CCOC)C(=O)c1csc(C(=O)OC)n1 ZINC000721429973 658707892 /nfs/dbraw/zinc/70/78/92/658707892.db2.gz YXGRULUCZXXVPP-UHFFFAOYSA-N 0 0 302.352 0.665 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)cn2)C1 ZINC000888077530 658720265 /nfs/dbraw/zinc/72/02/65/658720265.db2.gz HFDPNCFGJSHRSY-NXEZZACHSA-N 0 0 311.367 0.294 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000888079162 658729757 /nfs/dbraw/zinc/72/97/57/658729757.db2.gz GGKNZIAITZDXAN-OAHLLOKOSA-N 0 0 307.350 0.853 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)OCCn1nc(C)cc1C ZINC000181513696 665606817 /nfs/dbraw/zinc/60/68/17/665606817.db2.gz YUKLOFYPWVXMKJ-UHFFFAOYSA-N 0 0 317.411 0.715 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCOC(C)(C)C)c(=O)n(C)c1=O ZINC000255563483 658810400 /nfs/dbraw/zinc/81/04/00/658810400.db2.gz JSBQOSIIXGWKCT-SREVYHEPSA-N 0 0 310.350 0.456 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000075977730 665642196 /nfs/dbraw/zinc/64/21/96/665642196.db2.gz TXVYZTJNJRFWRR-ZYHUDNBSSA-N 0 0 303.428 0.898 10 0 DCAERN COCCn1cnn(CN2CCO[C@@]3(CCOC3)C2)c1=S ZINC000184267351 659217753 /nfs/dbraw/zinc/21/77/53/659217753.db2.gz RKMGBPCTEYAQTJ-ZDUSSCGKSA-N 0 0 314.411 0.509 10 0 DCAERN CN(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CC1(CO)CC1 ZINC000186791279 659286143 /nfs/dbraw/zinc/28/61/43/659286143.db2.gz LRMLDTCKQNYSLB-AWEZNQCLSA-N 0 0 313.419 0.828 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@@H](O)c2ccccc2)c1 ZINC000188026271 659323583 /nfs/dbraw/zinc/32/35/83/659323583.db2.gz XQBSMFKAXHBULT-CYBMUJFWSA-N 0 0 303.318 0.911 10 0 DCAERN COC(=O)c1sc(N2CC[C@@](O)(C(N)=O)C2)nc1Cl ZINC000311854565 659382503 /nfs/dbraw/zinc/38/25/03/659382503.db2.gz PJBGJWBMUSPYKW-JTQLQIEISA-N 0 0 305.743 0.010 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCCCCO ZINC000182233690 659389726 /nfs/dbraw/zinc/38/97/26/659389726.db2.gz WSLDAXLJILMFIR-ZDUSSCGKSA-N 0 0 320.455 0.860 10 0 DCAERN CC(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1N ZINC000311903890 659393253 /nfs/dbraw/zinc/39/32/53/659393253.db2.gz GFZMQYGYVJYIDG-UHFFFAOYSA-N 0 0 306.409 0.370 10 0 DCAERN O=C(c1cnc(Cl)cn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000192741833 659421756 /nfs/dbraw/zinc/42/17/56/659421756.db2.gz BHKXGNYJNPOSCS-SNVBAGLBSA-N 0 0 307.741 0.868 10 0 DCAERN O=CN1CCC(OC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000194991203 659526058 /nfs/dbraw/zinc/52/60/58/659526058.db2.gz LOCWOHLWOFTNDO-NSHDSACASA-N 0 0 306.309 0.116 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@@H]2C)C1 ZINC000333129217 659771167 /nfs/dbraw/zinc/77/11/67/659771167.db2.gz JJEQYMRWZGTULP-PYHGIMPFSA-N 0 0 324.421 0.897 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)C1=NN(C)C(=O)CC1 ZINC000182244602 665762864 /nfs/dbraw/zinc/76/28/64/665762864.db2.gz CDMOYPZFZCIWCN-UHFFFAOYSA-N 0 0 305.382 0.694 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc(Cc3cccs3)no2)C1 ZINC000126128434 661453389 /nfs/dbraw/zinc/45/33/89/661453389.db2.gz VTCDEIANXXDRDT-SECBINFHSA-N 0 0 313.404 0.651 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178685089 661465325 /nfs/dbraw/zinc/46/53/25/661465325.db2.gz CHTWVGIJEJGKKH-OAHLLOKOSA-N 0 0 315.373 1.000 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000726461247 661659086 /nfs/dbraw/zinc/65/90/86/661659086.db2.gz XWLJEJAJXNVBPR-KOLCDFICSA-N 0 0 313.448 0.954 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ncc(Cl)n1C ZINC000726542734 661660357 /nfs/dbraw/zinc/66/03/57/661660357.db2.gz OYYHVGSRPIWJCF-MRVPVSSYSA-N 0 0 302.787 0.611 10 0 DCAERN O=C(CCc1nc2ccccc2oc1=O)N1CCCNC(=O)C1 ZINC000726781956 661669631 /nfs/dbraw/zinc/66/96/31/661669631.db2.gz AIPGOAIVZBDWOQ-UHFFFAOYSA-N 0 0 315.329 0.469 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000338948012 662093297 /nfs/dbraw/zinc/09/32/97/662093297.db2.gz AFGNMKNWDMUGGE-NWDGAFQWSA-N 0 0 307.375 0.251 10 0 DCAERN COc1ncc(Cl)c(NCC[C@H]2CNCCS2(=O)=O)n1 ZINC000721815278 662108792 /nfs/dbraw/zinc/10/87/92/662108792.db2.gz SFBZTSNEXFETOL-QMMMGPOBSA-N 0 0 320.802 0.327 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccn(C)c2=O)C1 ZINC000262691053 662531977 /nfs/dbraw/zinc/53/19/77/662531977.db2.gz CHABNLMUBWEZGB-UHFFFAOYSA-N 0 0 307.350 0.053 10 0 DCAERN CN(C)C(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1 ZINC000054357610 662532123 /nfs/dbraw/zinc/53/21/23/662532123.db2.gz ZKAYUAYKHJSNKY-UHFFFAOYSA-N 0 0 303.366 0.254 10 0 DCAERN COc1ccc(NC(=S)NCCS(C)(=O)=O)cc1CO ZINC000729154948 662638787 /nfs/dbraw/zinc/63/87/87/662638787.db2.gz ARPSSDUXQVNDIY-UHFFFAOYSA-N 0 0 318.420 0.519 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000263452627 662689757 /nfs/dbraw/zinc/68/97/57/662689757.db2.gz GPNKNBFJDWMTIS-ZSVAQUKISA-N 0 0 313.398 0.743 10 0 DCAERN CC(C)[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)N(C)C ZINC000729694997 662907351 /nfs/dbraw/zinc/90/73/51/662907351.db2.gz ICFVIODUSPGFOV-CYBMUJFWSA-N 0 0 317.349 0.932 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000729699550 662907436 /nfs/dbraw/zinc/90/74/36/662907436.db2.gz SQVXHRBBSBEIPN-CYBMUJFWSA-N 0 0 309.366 0.876 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N(C)C ZINC000729699391 662907498 /nfs/dbraw/zinc/90/74/98/662907498.db2.gz GZLHMWKGLKHELY-ZDUSSCGKSA-N 0 0 317.349 0.932 10 0 DCAERN CC(C)[C@H](OC(=O)CS(=O)(=O)C1CCCC1)C(=O)N(C)C ZINC000729708325 662907584 /nfs/dbraw/zinc/90/75/84/662907584.db2.gz UCZPTCLGKPLCSH-ZDUSSCGKSA-N 0 0 319.423 1.000 10 0 DCAERN CC(C)[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)N(C)C ZINC000729701168 662907789 /nfs/dbraw/zinc/90/77/89/662907789.db2.gz YDUSKZJRYTUZCF-ZYHUDNBSSA-N 0 0 305.396 0.467 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)O)cc1 ZINC000344884253 663079690 /nfs/dbraw/zinc/07/96/90/663079690.db2.gz NNTIOZZDUFPCAR-NXEZZACHSA-N 0 0 300.380 0.370 10 0 DCAERN C[C@@H](O)[C@@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000346446461 663194160 /nfs/dbraw/zinc/19/41/60/663194160.db2.gz CZXXLRPNSLNZAL-HTQZYQBOSA-N 0 0 303.156 0.496 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)CNC(=O)N3CCCC3)CCO2)cn1 ZINC000900984865 663299092 /nfs/dbraw/zinc/29/90/92/663299092.db2.gz PPOSBQKXLGHBDX-CYBMUJFWSA-N 0 0 321.381 0.125 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCCC[C@@H]1C ZINC000031468258 663583430 /nfs/dbraw/zinc/58/34/30/663583430.db2.gz BQFSNXDKKSRJAW-GJZGRUSLSA-N 0 0 303.406 0.366 10 0 DCAERN CCN1CCN(C(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)CC1=O ZINC000907363791 663689019 /nfs/dbraw/zinc/68/90/19/663689019.db2.gz AQVVLTXVMMUVLF-YOGCLGLASA-N 0 0 310.419 0.635 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC000907507837 663700565 /nfs/dbraw/zinc/70/05/65/663700565.db2.gz YVFFMJCBKTWBLX-KDYLLFBJSA-N 0 0 318.373 0.053 10 0 DCAERN COC(=O)[C@H]1CSCN1C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000907882048 663722058 /nfs/dbraw/zinc/72/20/58/663722058.db2.gz QFBHIGJGTHEBEE-VXGBXAGGSA-N 0 0 320.370 0.936 10 0 DCAERN CN(C(=O)[C@H]1OCCN(C)C1=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000908098162 663733285 /nfs/dbraw/zinc/73/32/85/663733285.db2.gz OZAUWUFYQMIVEN-MJBXVCDLSA-N 0 0 319.361 0.227 10 0 DCAERN COc1cc(CO)ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000908101055 663733598 /nfs/dbraw/zinc/73/35/98/663733598.db2.gz RXAJAYZIFSBBGK-KBPBESRZSA-N 0 0 322.405 0.979 10 0 DCAERN CCC/C=C/[C@@H](O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000908106114 663733905 /nfs/dbraw/zinc/73/39/05/663733905.db2.gz IZGXAVLWDCJTNO-PDXQCIGXSA-N 0 0 320.393 0.573 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000908111220 663734114 /nfs/dbraw/zinc/73/41/14/663734114.db2.gz RDKHHMTXKFVEEE-MCIONIFRSA-N 0 0 310.394 0.409 10 0 DCAERN COc1ccc(O)c(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c1 ZINC000909160196 663782790 /nfs/dbraw/zinc/78/27/90/663782790.db2.gz WRXVWQMDPFRUJO-BNOWGMLFSA-N 0 0 303.318 0.702 10 0 DCAERN CC(C)(CNC(=O)CN1CCCC[C@@H](O)C1=O)n1ccnc1 ZINC000912615050 664197262 /nfs/dbraw/zinc/19/72/62/664197262.db2.gz UEORGLNBDWOOGX-GFCCVEGCSA-N 0 0 308.382 0.108 10 0 DCAERN CN(CC(=O)NC(C)(C)C)Cn1c2cnccc2n(C)c1=O ZINC000151170657 664283563 /nfs/dbraw/zinc/28/35/63/664283563.db2.gz NKNMECBMWREZHC-UHFFFAOYSA-N 0 0 305.382 0.539 10 0 DCAERN COc1ccc([C@H](C)C(=O)NC[C@]2(CO)COCCN2)cc1 ZINC000913189521 664286174 /nfs/dbraw/zinc/28/61/74/664286174.db2.gz YQEKCVCJDZTQDW-LRDDRELGSA-N 0 0 308.378 0.266 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000151416710 664331973 /nfs/dbraw/zinc/33/19/73/664331973.db2.gz JXXHLEQXTYIDLY-AWEZNQCLSA-N 0 0 318.439 0.338 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CC[C@](O)(C(F)(F)F)C1)C(C)C ZINC000156874989 664394170 /nfs/dbraw/zinc/39/41/70/664394170.db2.gz WIHBCURUMBGLNQ-LDYMZIIASA-N 0 0 312.288 0.893 10 0 DCAERN Cc1nccn1CCCNC(=O)Cc1ncn(C)c(=O)c1C ZINC000222940492 664395467 /nfs/dbraw/zinc/39/54/67/664395467.db2.gz HONQVTBFSBITHU-UHFFFAOYSA-N 0 0 303.366 0.343 10 0 DCAERN C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)NCC1(CO)CC1 ZINC000223222090 664404680 /nfs/dbraw/zinc/40/46/80/664404680.db2.gz ABPGMTVJAXMWOD-NSHDSACASA-N 0 0 317.349 0.318 10 0 DCAERN CN(CCO)C(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223366722 664407427 /nfs/dbraw/zinc/40/74/27/664407427.db2.gz PTPCAWCRKDIJML-LBPRGKRZSA-N 0 0 320.345 0.357 10 0 DCAERN COC(=O)c1cn(CN2CCC(Cn3ccnn3)CC2)nn1 ZINC000157047781 664411017 /nfs/dbraw/zinc/41/10/17/664411017.db2.gz JYIUTOIKMCYOFU-UHFFFAOYSA-N 0 0 305.342 0.026 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1C ZINC000168650057 664527921 /nfs/dbraw/zinc/52/79/21/664527921.db2.gz YCPZKERCJBGTDJ-LBPRGKRZSA-N 0 0 315.391 0.776 10 0 DCAERN CNC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169748536 664558776 /nfs/dbraw/zinc/55/87/76/664558776.db2.gz BRBJDHVVSCMPIM-UHFFFAOYSA-N 0 0 301.350 0.291 10 0 DCAERN COC(=O)NCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000169912207 664567654 /nfs/dbraw/zinc/56/76/54/664567654.db2.gz ASZXUUYDWDJIRE-VIFPVBQESA-N 0 0 319.317 0.143 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)NCCc2nc(C)no2)c1 ZINC000171845726 664613457 /nfs/dbraw/zinc/61/34/57/664613457.db2.gz ULHDBXYKIIUECS-ZDUSSCGKSA-N 0 0 320.349 0.962 10 0 DCAERN CN1CC[C@H](NS(=O)(=O)c2cccc3ncccc32)C1=O ZINC000172616561 664623493 /nfs/dbraw/zinc/62/34/93/664623493.db2.gz QYGLUEGWUYCDIY-LBPRGKRZSA-N 0 0 305.359 0.744 10 0 DCAERN C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000062966608 664625095 /nfs/dbraw/zinc/62/50/95/664625095.db2.gz APICWGKQMREFMY-SECBINFHSA-N 0 0 314.363 0.415 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961365 664626022 /nfs/dbraw/zinc/62/60/22/664626022.db2.gz QPHCMYHTCUIEFS-ZDUSSCGKSA-N 0 0 310.398 0.023 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)NCCOCCS(C)(=O)=O)C1 ZINC000173540871 664629730 /nfs/dbraw/zinc/62/97/30/664629730.db2.gz JWJBVEAJERNFCU-NEPJUHHUSA-N 0 0 306.428 0.878 10 0 DCAERN O=C(OCc1nc(Cc2ccc(F)cc2)no1)[C@@H]1CNC(=O)C1 ZINC000173983397 664634501 /nfs/dbraw/zinc/63/45/01/664634501.db2.gz TXQNLUQIEYKXLR-JTQLQIEISA-N 0 0 319.292 0.979 10 0 DCAERN O=C(COc1ccc2c(c1)CCC2)N[C@@H]1CCC(=O)NC1=O ZINC000174271484 664638039 /nfs/dbraw/zinc/63/80/39/664638039.db2.gz HNKSXNOBRUTBOR-CYBMUJFWSA-N 0 0 302.330 0.476 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1cccc(Cl)n1)c2=O ZINC000174444950 664639639 /nfs/dbraw/zinc/63/96/39/664639639.db2.gz XVYFRWSQKUFFST-UHFFFAOYSA-N 0 0 318.724 0.817 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000730307594 664681727 /nfs/dbraw/zinc/68/17/27/664681727.db2.gz CNNLBYYKYNAMSZ-WDEREUQCSA-N 0 0 302.396 0.564 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NC(C)(C)C ZINC000730313181 664684204 /nfs/dbraw/zinc/68/42/04/664684204.db2.gz XLMXRTKWAQLNAB-WCBMZHEXSA-N 0 0 302.396 0.754 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000312266675 664689985 /nfs/dbraw/zinc/68/99/85/664689985.db2.gz LWORHQTWDADJQB-UHFFFAOYSA-N 0 0 301.320 0.558 10 0 DCAERN CC(=O)N1CSC[C@H]1c1nc(-c2cnc(C)nc2N)no1 ZINC000350824464 664709804 /nfs/dbraw/zinc/70/98/04/664709804.db2.gz QAUVKTWWZRAGTH-VIFPVBQESA-N 0 0 306.351 0.841 10 0 DCAERN CCOC[C@@H]1CCCCN1S(=O)(=O)c1cnc(N)nc1 ZINC000313271219 664743677 /nfs/dbraw/zinc/74/36/77/664743677.db2.gz DAIHCUHORVHIEJ-JTQLQIEISA-N 0 0 300.384 0.639 10 0 DCAERN Cc1cnn([C@@H]2CCCN(CN3C(=O)C(=O)N(C)C3=O)C2)c1 ZINC000152893257 664778459 /nfs/dbraw/zinc/77/84/59/664778459.db2.gz DPFNSVBOMZQANY-LLVKDONJSA-N 0 0 305.338 0.207 10 0 DCAERN O=C(COC(=O)Cn1ncc2ccccc21)NC(=O)NC1CC1 ZINC000730636660 664798864 /nfs/dbraw/zinc/79/88/64/664798864.db2.gz BCJKHZJPUBSXJP-UHFFFAOYSA-N 0 0 316.317 0.568 10 0 DCAERN O=C(C1=COCCC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000730770028 664805587 /nfs/dbraw/zinc/80/55/87/664805587.db2.gz YSKBVJKEMJYQKG-CYBMUJFWSA-N 0 0 314.407 0.012 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000741421490 664837244 /nfs/dbraw/zinc/83/72/44/664837244.db2.gz QOUMVMXZBPIENP-QFIPXVFZSA-N 0 0 322.394 0.861 10 0 DCAERN C[C@H](C(=O)OCCN(C)C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000731140725 664839605 /nfs/dbraw/zinc/83/96/05/664839605.db2.gz NLBFBAHJJNIYSA-SECBINFHSA-N 0 0 309.384 0.830 10 0 DCAERN C[C@@H](C(=O)OCCN(C)C(=O)OC(C)(C)C)S(C)(=O)=O ZINC000731140726 664840130 /nfs/dbraw/zinc/84/01/30/664840130.db2.gz NLBFBAHJJNIYSA-VIFPVBQESA-N 0 0 309.384 0.830 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CNC(=O)N2)c1C ZINC000732364585 664922441 /nfs/dbraw/zinc/92/24/41/664922441.db2.gz URYPRNVEVSESCR-ZJUUUORDSA-N 0 0 321.333 0.630 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCc1nnc(C(C)C)n1C)C(C)C ZINC000183473840 666054788 /nfs/dbraw/zinc/05/47/88/666054788.db2.gz JAKUZCRIMAFIIR-LLVKDONJSA-N 0 0 311.386 0.935 10 0 DCAERN C[C@H](CCn1cccn1)OC(=O)CCC(=O)N1CCOCC1 ZINC000183867098 666129280 /nfs/dbraw/zinc/12/92/80/666129280.db2.gz NZWQCHZVZPGTIQ-CYBMUJFWSA-N 0 0 309.366 0.844 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CSC(=O)N2)CC[S@]1=O ZINC000183873204 666130122 /nfs/dbraw/zinc/13/01/22/666130122.db2.gz RRJZXKCUBPARPC-AYLIAGHASA-N 0 0 304.437 0.961 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCN1CCCCC1=O ZINC000358934470 666254966 /nfs/dbraw/zinc/25/49/66/666254966.db2.gz RICPRNDPBRSPGH-LBPRGKRZSA-N 0 0 313.423 0.427 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cc2c(cc1N)OCO2 ZINC000429572283 666414732 /nfs/dbraw/zinc/41/47/32/666414732.db2.gz GXHZRHNVUFQDRD-JTQLQIEISA-N 0 0 309.347 0.857 10 0 DCAERN Cc1sc(=O)n(CC(=O)O[C@H](C)CCS(C)(=O)=O)c1C ZINC000185700114 666549789 /nfs/dbraw/zinc/54/97/89/666549789.db2.gz RFQDRUROGFUNGY-MRVPVSSYSA-N 0 0 321.420 0.893 10 0 DCAERN COC(=O)c1cn(CN2CCC(Cn3cncn3)CC2)nn1 ZINC000186914607 666619335 /nfs/dbraw/zinc/61/93/35/666619335.db2.gz OZXXUBMAQDWXHN-UHFFFAOYSA-N 0 0 305.342 0.026 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1csc(Br)n1 ZINC000700238616 666696383 /nfs/dbraw/zinc/69/63/83/666696383.db2.gz UTOCKMBZKJNYRT-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN CCCCc1noc([C@H](C)OC(=O)CN2CCC(=O)NC2=O)n1 ZINC000733560380 666765927 /nfs/dbraw/zinc/76/59/27/666765927.db2.gz AVDRCGNQNSMDBB-VIFPVBQESA-N 0 0 324.337 0.958 10 0 DCAERN O=S(=O)(NCC1(CO)CCOCC1)c1cccnc1F ZINC000700976068 666787785 /nfs/dbraw/zinc/78/77/85/666787785.db2.gz OIFCLWFBNRZDBC-UHFFFAOYSA-N 0 0 304.343 0.288 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)c1cccs1 ZINC000733877939 666823363 /nfs/dbraw/zinc/82/33/63/666823363.db2.gz CGXOANDRCAKAPN-LJQANCHMSA-N 0 0 302.421 0.753 10 0 DCAERN CC[S@](=O)CCNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000733880868 666823615 /nfs/dbraw/zinc/82/36/15/666823615.db2.gz WKYLBYFMJCINAW-SFHVURJKSA-N 0 0 309.453 0.619 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CCCCN1C(=O)C(C)C ZINC000733880717 666823741 /nfs/dbraw/zinc/82/37/41/666823741.db2.gz UXANUCLBQZWIQR-FKIZINRSSA-N 0 0 302.440 0.908 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Cl)c(Cl)n1C)S(N)(=O)=O ZINC000701337434 666831915 /nfs/dbraw/zinc/83/19/15/666831915.db2.gz SPOYEKDMURPYAE-YFKPBYRVSA-N 0 0 314.194 0.739 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)NCC[S@](=O)CC)CC1=O ZINC000733964923 666833240 /nfs/dbraw/zinc/83/32/40/666833240.db2.gz WLNZIFZXCDTEDD-XXRNEEKGSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN(C)CC(F)(F)F ZINC000735097995 666951585 /nfs/dbraw/zinc/95/15/85/666951585.db2.gz MXWARKUWUCRNTG-FQEVSTJZSA-N 0 0 317.377 0.938 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1nnnn1-c1ccccc1 ZINC000735099545 666952144 /nfs/dbraw/zinc/95/21/44/666952144.db2.gz IMDQSVDSHMRDFP-JOCHJYFZSA-N 0 0 322.394 0.230 10 0 DCAERN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCNC(N)=O ZINC000736107886 667098183 /nfs/dbraw/zinc/09/81/83/667098183.db2.gz PUADZDXJHLYUNX-SNVBAGLBSA-N 0 0 302.334 0.286 10 0 DCAERN C[C@@H]1CN(Cn2cc(Br)cn2)C[C@@H](C(N)=O)O1 ZINC000120306678 667295607 /nfs/dbraw/zinc/29/56/07/667295607.db2.gz RAMFYJRDEXCASL-APPZFPTMSA-N 0 0 303.160 0.178 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cnccn2)C1 ZINC000705781490 667375969 /nfs/dbraw/zinc/37/59/69/667375969.db2.gz XDLPXOVMTIJLOT-PWSUYJOCSA-N 0 0 322.365 0.434 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ncsc1Br ZINC000706709626 667421306 /nfs/dbraw/zinc/42/13/06/667421306.db2.gz OPXSUMKQUSBNCP-NTSWFWBYSA-N 0 0 307.169 0.785 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)nc1F ZINC000707061911 667431021 /nfs/dbraw/zinc/43/10/21/667431021.db2.gz ITBIHLPPISVPBM-BQBZGAKWSA-N 0 0 310.734 0.302 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)C2CCC(=O)CC2)C[C@H]1C ZINC000708178795 667442153 /nfs/dbraw/zinc/44/21/53/667442153.db2.gz LDKZXQMBVLJKLT-BXKDBHETSA-N 0 0 303.380 0.569 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221262 667442328 /nfs/dbraw/zinc/44/23/28/667442328.db2.gz LJGBLDPREWDZIM-GFCCVEGCSA-N 0 0 302.396 0.428 10 0 DCAERN COC(=O)c1coc(CNC(C)(C)CNS(C)(=O)=O)c1 ZINC000708370436 667442997 /nfs/dbraw/zinc/44/29/97/667442997.db2.gz AZRKVTMTAWNZRI-UHFFFAOYSA-N 0 0 304.368 0.484 10 0 DCAERN C[C@@H]1CN(C(=O)c2c(Br)nnn2C)C[C@H]1CO ZINC000708603359 667444560 /nfs/dbraw/zinc/44/45/60/667444560.db2.gz STNKFHUZBNNKDO-RQJHMYQMSA-N 0 0 303.160 0.278 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc(F)nc1)c2=O ZINC000134984680 667561230 /nfs/dbraw/zinc/56/12/30/667561230.db2.gz RTAYNIOSFKKTGM-UHFFFAOYSA-N 0 0 302.269 0.303 10 0 DCAERN O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCc2nc[nH]c2C1 ZINC000220566209 667575793 /nfs/dbraw/zinc/57/57/93/667575793.db2.gz XDIFVXXIMNFXBS-LLVKDONJSA-N 0 0 323.360 0.807 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCNc1ccccn1 ZINC000136172703 667701531 /nfs/dbraw/zinc/70/15/31/667701531.db2.gz CWDXVHNCEYBXKN-LBPRGKRZSA-N 0 0 308.407 0.921 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ccnc(C(N)=O)c3)C[C@H]21 ZINC000886034105 667726246 /nfs/dbraw/zinc/72/62/46/667726246.db2.gz OSMYSTSOBVVJIJ-KGLIPLIRSA-N 0 0 304.350 0.007 10 0 DCAERN CCN1C(=O)C[C@@H](CNS(=O)(=O)CC)[C@@H]1c1cccnc1 ZINC000886040555 667726850 /nfs/dbraw/zinc/72/68/50/667726850.db2.gz OFFRQXBGVWVXBL-JSGCOSHPSA-N 0 0 311.407 0.930 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2cc(N(C)C)ncn2)C1=O ZINC000886077864 667728966 /nfs/dbraw/zinc/72/89/66/667728966.db2.gz KGZXGGYWAZHVNI-NSHDSACASA-N 0 0 321.381 0.509 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCn3cncc3C2)C1=O ZINC000886077646 667729275 /nfs/dbraw/zinc/72/92/75/667729275.db2.gz DIJIRCRXBCVMDU-ZDUSSCGKSA-N 0 0 306.366 0.253 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCOc3ncccc32)C1=O ZINC000886075480 667729293 /nfs/dbraw/zinc/72/92/93/667729293.db2.gz MMUBDPISUQNXBF-ZDUSSCGKSA-N 0 0 319.361 0.835 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2Nc2ccc(C(=O)N(C)C)nn2)c1 ZINC000886079383 667729765 /nfs/dbraw/zinc/72/97/65/667729765.db2.gz VGBUVQGRDIUDSC-OUCADQQQSA-N 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IXBOOHWUKYWSMH-SECBINFHSA-N 0 0 303.302 0.731 10 0 DCAERN N=C1NC(=O)C(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)S1 ZINC000742598797 667794592 /nfs/dbraw/zinc/79/45/92/667794592.db2.gz PAAHCPPONGVTCN-NKWVEPMBSA-N 0 0 324.328 0.296 10 0 DCAERN Cn1ccnc1C[C@H](NC(=S)NCC(N)=O)c1ccccc1 ZINC000743023360 667801792 /nfs/dbraw/zinc/80/17/92/667801792.db2.gz WYSQNMVPOXQXAI-LBPRGKRZSA-N 0 0 317.418 0.653 10 0 DCAERN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886991639 667827873 /nfs/dbraw/zinc/82/78/73/667827873.db2.gz HYTRNLOSXPLTAO-CHWSQXEVSA-N 0 0 305.378 0.957 10 0 DCAERN O=C(Cc1cnn2ccccc12)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886995830 667829788 /nfs/dbraw/zinc/82/97/88/667829788.db2.gz PPYNJBRLWNJXJE-HUUCEWRRSA-N 0 0 315.373 0.923 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCN1CC(F)F ZINC000125377825 668303909 /nfs/dbraw/zinc/30/39/09/668303909.db2.gz NDOYEJLBKSGZDH-IUCAKERBSA-N 0 0 307.366 0.999 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc[nH]n1 ZINC000125559441 668363485 /nfs/dbraw/zinc/36/34/85/668363485.db2.gz MNNAGXAOZMYHJQ-MRVPVSSYSA-N 0 0 319.346 0.475 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)CCc2ccnn2C)C1 ZINC000126309634 668555313 /nfs/dbraw/zinc/55/53/13/668555313.db2.gz ROPMSQGOMGKDDZ-CQSZACIVSA-N 0 0 323.393 0.923 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(Cl)cc1 ZINC000126471300 668600858 /nfs/dbraw/zinc/60/08/58/668600858.db2.gz XYCDPKRPTDSLRN-GFCCVEGCSA-N 0 0 316.810 0.733 10 0 DCAERN Cc1ccccc1CN(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126496658 668614020 /nfs/dbraw/zinc/61/40/20/668614020.db2.gz KSBKYHRDBZUXKV-CQSZACIVSA-N 0 0 310.419 0.730 10 0 DCAERN CN(Cc1ccccc1F)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126497128 668614710 /nfs/dbraw/zinc/61/47/10/668614710.db2.gz GYEQPPPAPIMGGS-GFCCVEGCSA-N 0 0 314.382 0.561 10 0 DCAERN CC(C)n1cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cn1 ZINC000126747028 668654253 /nfs/dbraw/zinc/65/42/53/668654253.db2.gz GEZNGUGKRMGULC-SNVBAGLBSA-N 0 0 300.384 0.179 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N(CC1CC1)CC1CC1 ZINC000126783819 668658796 /nfs/dbraw/zinc/65/87/96/668658796.db2.gz JSODFWUTDGDEKI-ZDUSSCGKSA-N 0 0 300.424 0.412 10 0 DCAERN Cc1nn(C)c(C)c1CCOC(=O)c1cc(C(N)=O)cn1C ZINC000127190347 668739045 /nfs/dbraw/zinc/73/90/45/668739045.db2.gz RZSCKXMSJACNDI-UHFFFAOYSA-N 0 0 304.350 0.874 10 0 DCAERN C[C@@H](c1ccc(F)nc1)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000930786744 669080505 /nfs/dbraw/zinc/08/05/05/669080505.db2.gz FICWEERPZNEDSX-GXSJLCMTSA-N 0 0 304.329 0.919 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CCNC(=O)C1CCCC1 ZINC000128153371 669148608 /nfs/dbraw/zinc/14/86/08/669148608.db2.gz BVRSJGBGLNLWIB-NRFANRHFSA-N 0 0 313.427 0.809 10 0 DCAERN CC(C)C[C@@H]1NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C1=O ZINC000023848771 669179637 /nfs/dbraw/zinc/17/96/37/669179637.db2.gz RYDYCQJXHPXEON-NSHDSACASA-N 0 0 312.414 0.757 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@](C)(COC)C(F)(F)F ZINC000932333854 669350306 /nfs/dbraw/zinc/35/03/06/669350306.db2.gz BJOUZWJESHEQDX-LDYMZIIASA-N 0 0 311.304 0.874 10 0 DCAERN CC[C@@H]1CN(Cn2cc(C(=O)OC)nn2)CCN1CC(F)F ZINC000129133632 669360532 /nfs/dbraw/zinc/36/05/32/669360532.db2.gz AXOOEVIAZJLQQU-SNVBAGLBSA-N 0 0 317.340 0.684 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1CCO ZINC000187259629 669711516 /nfs/dbraw/zinc/71/15/16/669711516.db2.gz PQPMWOBOCWECEX-SNVBAGLBSA-N 0 0 308.338 0.316 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000132952387 669757298 /nfs/dbraw/zinc/75/72/98/669757298.db2.gz IHSCRDWXYDANTP-UHFFFAOYSA-N 0 0 303.362 0.956 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(Cn3ncn(C)c3=O)C2)n1 ZINC000133043841 669774155 /nfs/dbraw/zinc/77/41/55/669774155.db2.gz ZAFPITOYMIJGQZ-ZDUSSCGKSA-N 0 0 305.386 0.160 10 0 DCAERN CCc1ccc(CN2CCN(Cn3ncn(C)c3=O)CC2)s1 ZINC000133110383 669779039 /nfs/dbraw/zinc/77/90/39/669779039.db2.gz JOCWRXYZUIXNTL-UHFFFAOYSA-N 0 0 321.450 0.981 10 0 DCAERN CCOC(=O)c1cnn(CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000133192975 669788843 /nfs/dbraw/zinc/78/88/43/669788843.db2.gz GCYSQGCBSOJLPM-JTQLQIEISA-N 0 0 301.368 0.136 10 0 DCAERN NC(=O)Cn1cc(NS(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000047251574 669926716 /nfs/dbraw/zinc/92/67/16/669926716.db2.gz UGPBBZXYWBHAJS-SREVYHEPSA-N 0 0 306.347 0.781 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCCS3(=O)=O)CC2=O)cc1 ZINC000048740886 669942238 /nfs/dbraw/zinc/94/22/38/669942238.db2.gz HUAJUWHFKLDCCZ-GFCCVEGCSA-N 0 0 322.386 0.910 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000159968980 669944885 /nfs/dbraw/zinc/94/48/85/669944885.db2.gz MYMONBNQCLRKTN-HIFRSBDPSA-N 0 0 306.362 0.856 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000159969098 669945074 /nfs/dbraw/zinc/94/50/74/669945074.db2.gz MYMONBNQCLRKTN-ZFWWWQNUSA-N 0 0 306.362 0.856 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@@H](O)c1ccc(F)cc1 ZINC000160140396 669947076 /nfs/dbraw/zinc/94/70/76/669947076.db2.gz SZQKHUVZQHIEIM-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN CNC(=O)CC1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000074723350 669948945 /nfs/dbraw/zinc/94/89/45/669948945.db2.gz CQOLXAYACOHUHW-ZIAGYGMSSA-N 0 0 319.405 0.743 10 0 DCAERN C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)N1CCOCC1 ZINC000188306253 669999919 /nfs/dbraw/zinc/99/99/19/669999919.db2.gz DEGXNWWPOBFLHE-LBPRGKRZSA-N 0 0 306.410 0.668 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000191445883 670027640 /nfs/dbraw/zinc/02/76/40/670027640.db2.gz TZNFFGBKLJMKIV-GBIKHYSHSA-N 0 0 318.295 0.894 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000188909519 670064727 /nfs/dbraw/zinc/06/47/27/670064727.db2.gz PMFULPHPGUYDIM-UKRRQHHQSA-N 0 0 316.361 0.702 10 0 DCAERN Cn1nc(Br)cc1C(=O)NCCCn1ccnn1 ZINC000192172300 670132421 /nfs/dbraw/zinc/13/24/21/670132421.db2.gz LJUWLWSNMVSPJP-UHFFFAOYSA-N 0 0 313.159 0.594 10 0 DCAERN Cn1cc(CN[C@@H]2CCC(=O)N(C)C2=O)c(Br)n1 ZINC000712463614 670149173 /nfs/dbraw/zinc/14/91/73/670149173.db2.gz SXCFVYBMTVXXQQ-MRVPVSSYSA-N 0 0 315.171 0.420 10 0 DCAERN Cn1cc(CNCCNC(=O)C2CC2)c(Br)n1 ZINC000712474799 670149695 /nfs/dbraw/zinc/14/96/95/670149695.db2.gz CBNGZIONXGZWIM-UHFFFAOYSA-N 0 0 301.188 0.798 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000714493791 670190109 /nfs/dbraw/zinc/19/01/09/670190109.db2.gz PFRUKLYEKQBUGS-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN O=C(OCCN1CCN(C(=O)C2CCC2)CC1)C1CCOCC1 ZINC000079168412 670180013 /nfs/dbraw/zinc/18/00/13/670180013.db2.gz JVJWSFLQIJDQNT-UHFFFAOYSA-N 0 0 324.421 0.901 10 0 DCAERN CCc1sc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)cc1C ZINC000714304076 670183365 /nfs/dbraw/zinc/18/33/65/670183365.db2.gz YKLMYBIEQWBVHX-UHFFFAOYSA-N 0 0 317.436 0.499 10 0 DCAERN O=S(=O)(NCC[C@@H]1CCCS1(=O)=O)c1cccnc1F ZINC000714370566 670185244 /nfs/dbraw/zinc/18/52/44/670185244.db2.gz BQSLBYBMBAJMJZ-VIFPVBQESA-N 0 0 322.383 0.466 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccc(Br)cn2)C1 ZINC000714459418 670188749 /nfs/dbraw/zinc/18/87/49/670188749.db2.gz PFZLJTJZEOBTMH-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN CS(=O)(=O)C1CC(N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000715293511 670207801 /nfs/dbraw/zinc/20/78/01/670207801.db2.gz HJMLPJMAXUVEQZ-CBINBANVSA-N 0 0 315.416 0.680 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC23OCCO3)nn1 ZINC000716015557 670230996 /nfs/dbraw/zinc/23/09/96/670230996.db2.gz MIUZIUBNTKGFHG-LLVKDONJSA-N 0 0 313.379 0.749 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)c2nnnn2C2CC2)c(=O)[nH]c1C ZINC000190320391 670418096 /nfs/dbraw/zinc/41/80/96/670418096.db2.gz QFPOZMBYFIJTRR-QMMMGPOBSA-N 0 0 303.326 0.199 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CCO[C@@H](C(F)F)C1 ZINC000194282823 670420684 /nfs/dbraw/zinc/42/06/84/670420684.db2.gz GARKEZAJDIOFAW-DTWKUNHWSA-N 0 0 301.297 0.789 10 0 DCAERN CN1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1=O ZINC000082358226 670476332 /nfs/dbraw/zinc/47/63/32/670476332.db2.gz MHOSQJVQTAQKEF-BDAKNGLRSA-N 0 0 321.299 0.134 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000195475465 670495133 /nfs/dbraw/zinc/49/51/33/670495133.db2.gz XQXAQDKNMNBOJC-NWDGAFQWSA-N 0 0 323.422 0.443 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000112304732 670580518 /nfs/dbraw/zinc/58/05/18/670580518.db2.gz MIXCGWQTCRSYQT-WVDJIFEKSA-N 0 0 320.480 0.961 10 0 DCAERN Cn1ncc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 ZINC000855976774 670775696 /nfs/dbraw/zinc/77/56/96/670775696.db2.gz UBVVPIUYJZTWIG-GXFFZTMASA-N 0 0 304.354 0.446 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000117927534 671261573 /nfs/dbraw/zinc/26/15/73/671261573.db2.gz IKNWLNUPMAJVAX-UHFFFAOYSA-N 0 0 321.358 0.840 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@H](CNC(=O)C(C)C)C2)nn1 ZINC000101903907 671787290 /nfs/dbraw/zinc/78/72/90/671787290.db2.gz BMQRTIMBRZICGN-GFCCVEGCSA-N 0 0 323.397 0.506 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)c2cn(C)nc2C)C1 ZINC000121452116 671828356 /nfs/dbraw/zinc/82/83/56/671828356.db2.gz LCKRHCPHHFILNS-LBPRGKRZSA-N 0 0 309.366 0.913 10 0 DCAERN Cn1ncc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000389937004 685258022 /nfs/dbraw/zinc/25/80/22/685258022.db2.gz NKFPNBGYDXRCKN-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])S(N)(=O)=O ZINC000398395290 685274480 /nfs/dbraw/zinc/27/44/80/685274480.db2.gz YTBQQKXXWDCYGJ-LURJTMIESA-N 0 0 321.742 0.655 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCCO)cc1 ZINC000494775802 685296042 /nfs/dbraw/zinc/29/60/42/685296042.db2.gz VACSWYXGUNMTKF-ZDUSSCGKSA-N 0 0 310.375 0.918 10 0 DCAERN CS(=O)(=O)C1CC(NCc2n[nH]cc2Br)C1 ZINC000718134576 685304625 /nfs/dbraw/zinc/30/46/25/685304625.db2.gz ROEVHDYAVLXCTO-UHFFFAOYSA-N 0 0 308.201 0.837 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCCN1C(=O)C1CC2(CSC2)C1 ZINC000718411851 685305333 /nfs/dbraw/zinc/30/53/33/685305333.db2.gz FXVWUGNLVQPATQ-LLVKDONJSA-N 0 0 318.464 0.799 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000717939616 685303714 /nfs/dbraw/zinc/30/37/14/685303714.db2.gz UBCXFXUMZRTMHI-NSHDSACASA-N 0 0 324.468 0.505 10 0 DCAERN Cn1cc(CNC(=O)CCS(C)(=O)=O)c(Br)n1 ZINC000720079933 685311975 /nfs/dbraw/zinc/31/19/75/685311975.db2.gz JKKFHETWQRBULJ-UHFFFAOYSA-N 0 0 324.200 0.234 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCC(C)CC2)CCS(=O)(=O)C1 ZINC000720912864 685316964 /nfs/dbraw/zinc/31/69/64/685316964.db2.gz BMGHNJDICKTYLV-CYBMUJFWSA-N 0 0 304.412 0.632 10 0 DCAERN CO[C@]1(CNC(=O)N2CCC[C@@H](C)C2)CCS(=O)(=O)C1 ZINC000720916323 685317486 /nfs/dbraw/zinc/31/74/86/685317486.db2.gz ZEDICQHCRMTMJQ-YPMHNXCESA-N 0 0 304.412 0.632 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C1 ZINC000720902350 685317545 /nfs/dbraw/zinc/31/75/45/685317545.db2.gz VJDCNWDCRRDKTK-IJLUTSLNSA-N 0 0 304.412 0.078 10 0 DCAERN CCOc1cc(NC[C@@]2(OC)CCS(=O)(=O)C2)ncn1 ZINC000721211575 685318350 /nfs/dbraw/zinc/31/83/50/685318350.db2.gz LLFCVVCMJDPSDE-LBPRGKRZSA-N 0 0 301.368 0.491 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)c1c(C)sc(C)c1C)[C@@H](C)O ZINC000722520465 685319604 /nfs/dbraw/zinc/31/96/04/685319604.db2.gz MMMPFWDLFTYWKU-XCBNKYQSSA-N 0 0 321.420 0.874 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000037991744 685057069 /nfs/dbraw/zinc/05/70/69/685057069.db2.gz SFLWPBHXQCMKEW-HTQZYQBOSA-N 0 0 320.802 0.348 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1nc(Cl)ccc1Cl ZINC000038106323 685057757 /nfs/dbraw/zinc/05/77/57/685057757.db2.gz VWBFSFCSIPLFRP-VDTYLAMSSA-N 0 0 304.133 0.449 10 0 DCAERN NS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2CCCO2)c1 ZINC000087899061 685091441 /nfs/dbraw/zinc/09/14/41/685091441.db2.gz ZLDVXDDICVEOEP-SECBINFHSA-N 0 0 316.354 0.772 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCCS3(=O)=O)cnc12 ZINC000091104663 685103159 /nfs/dbraw/zinc/10/31/59/685103159.db2.gz APKXWUKEPIDJSG-UHFFFAOYSA-N 0 0 307.331 0.179 10 0 DCAERN CCS(=O)(=O)CCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091045665 685103319 /nfs/dbraw/zinc/10/33/19/685103319.db2.gz SOLHKMBKYPHTKI-UHFFFAOYSA-N 0 0 323.374 0.167 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000177948005 685149977 /nfs/dbraw/zinc/14/99/77/685149977.db2.gz GXBZKULNSYQQJA-QWRGUYRKSA-N 0 0 321.381 0.392 10 0 DCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CSC(=O)N1 ZINC000246779710 685166197 /nfs/dbraw/zinc/16/61/97/685166197.db2.gz CAHZCTBTEFXOFF-JGVFFNPUSA-N 0 0 311.329 0.812 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249177485 685178431 /nfs/dbraw/zinc/17/84/31/685178431.db2.gz FZFPPWGUSGZYHB-MGPQQGTHSA-N 0 0 319.405 0.742 10 0 DCAERN O=C(CNCc1nc(Br)c[nH]1)N1CCOCC1 ZINC000384012263 685243517 /nfs/dbraw/zinc/24/35/17/685243517.db2.gz IUBPZLHVWNKBOH-UHFFFAOYSA-N 0 0 303.160 0.121 10 0 DCAERN CC(=O)N1CCCN(c2nc(N)nc(C(F)(F)F)n2)CC1 ZINC000384947411 685246682 /nfs/dbraw/zinc/24/66/82/685246682.db2.gz LNGXVMYEOGAYPX-UHFFFAOYSA-N 0 0 304.276 0.362 10 0 DCAERN CS(=O)(=O)NCCNc1nccn2nc(C(F)(F)F)cc12 ZINC000129171457 1157609805 /nfs/dbraw/zinc/60/98/05/1157609805.db2.gz UHNVXROQLBMPQW-UHFFFAOYSA-N 0 0 323.300 0.709 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000040383541 1157906140 /nfs/dbraw/zinc/90/61/40/1157906140.db2.gz MNNZIMNNTCOFGF-UHFFFAOYSA-N 0 0 302.331 0.179 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C1 ZINC000398473606 1158119027 /nfs/dbraw/zinc/11/90/27/1158119027.db2.gz RLGIPXDYVONCAI-QMMMGPOBSA-N 0 0 303.771 0.492 10 0 DCAERN CNC(=O)[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000398505832 1158123678 /nfs/dbraw/zinc/12/36/78/1158123678.db2.gz NWNIMEBVWXNHMC-ZETCQYMHSA-N 0 0 300.156 0.985 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000385701567 1158244971 /nfs/dbraw/zinc/24/49/71/1158244971.db2.gz LBXNLOAZXJUGAO-GRYCIOLGSA-N 0 0 321.464 0.526 10 0 DCAERN O=S(=O)(NCCn1cncn1)c1cnc(Cl)c(F)c1 ZINC000381275110 1158371995 /nfs/dbraw/zinc/37/19/95/1158371995.db2.gz JBZCHCHSQFHIHU-UHFFFAOYSA-N 0 0 305.722 0.444 10 0 DCAERN COC(=O)CCCCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000035179693 1171431817 /nfs/dbraw/zinc/43/18/17/1171431817.db2.gz OLCFRKTXSRNTJJ-NSHDSACASA-N 0 0 305.396 0.661 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(F)ccc2N)C1 ZINC000037811504 1171443835 /nfs/dbraw/zinc/44/38/35/1171443835.db2.gz XXUQSZFOCRFVSB-JTQLQIEISA-N 0 0 315.370 0.562 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2N)CC1 ZINC000062084867 1172365636 /nfs/dbraw/zinc/36/56/36/1172365636.db2.gz DZHGFTMWYIMUBD-UHFFFAOYSA-N 0 0 301.343 0.125 10 0 DCAERN CN(Cc1nccn1C(F)F)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000074140704 1173920608 /nfs/dbraw/zinc/92/06/08/1173920608.db2.gz MAYZSSNBEMPULL-SSDOTTSWSA-N 0 0 315.280 0.225 10 0 DCAERN O=C(CCn1cncn1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000079833515 1174423046 /nfs/dbraw/zinc/42/30/46/1174423046.db2.gz AGFVAKYKAYZTMW-UHFFFAOYSA-N 0 0 324.344 0.912 10 0 DCAERN C[C@@H](N)c1nc(C(=O)N(C)Cc2nnc3n2CCC3)cs1 ZINC000090950327 1175444224 /nfs/dbraw/zinc/44/42/24/1175444224.db2.gz XQVGGQJYKAFSBL-MRVPVSSYSA-N 0 0 306.395 0.973 10 0 DCAERN CN(C)C(=O)CN1CCCN(Cc2nnc(C3CC3)o2)CC1 ZINC000098132732 1175948334 /nfs/dbraw/zinc/94/83/34/1175948334.db2.gz PKCCJBCOYXDADK-UHFFFAOYSA-N 0 0 307.398 0.543 10 0 DCAERN COC[C@H](O)CCNC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000133510333 1177527783 /nfs/dbraw/zinc/52/77/83/1177527783.db2.gz ODKIYOBZDDJAKA-MNOVXSKESA-N 0 0 300.359 0.772 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(F)c1F ZINC000168967461 1178522445 /nfs/dbraw/zinc/52/24/45/1178522445.db2.gz OVBRKSPDXARQCE-MUWHJKNJSA-N 0 0 303.236 0.852 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)c1ccc(Cl)nn1 ZINC000155621231 1180554988 /nfs/dbraw/zinc/55/49/88/1180554988.db2.gz CFSNVMZCLYVKKI-UHFFFAOYSA-N 0 0 306.775 0.374 10 0 DCAERN COc1ccc(C(=O)NCCNC(=O)[C@@H]2CCCO2)cc1OC ZINC000169832291 1183608832 /nfs/dbraw/zinc/60/88/32/1183608832.db2.gz CLQDRLIJPMRFTH-ZDUSSCGKSA-N 0 0 322.361 0.729 10 0 DCAERN COCCOCC(=O)N1CCN(C(=O)c2ccccc2C)CC1 ZINC000169830179 1183609263 /nfs/dbraw/zinc/60/92/63/1183609263.db2.gz LIUKHKLTXWOTLE-UHFFFAOYSA-N 0 0 320.389 0.942 10 0 DCAERN O=C(CCC1CCCCC1)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC000169842292 1183609636 /nfs/dbraw/zinc/60/96/36/1183609636.db2.gz JCWKKMNZOVQDSX-UHFFFAOYSA-N 0 0 320.393 0.976 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1ccccc1 ZINC000175006062 1184016629 /nfs/dbraw/zinc/01/66/29/1184016629.db2.gz KTZDUNISKDRVOP-GFCCVEGCSA-N 0 0 300.380 0.118 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCN(Cc2ccccn2)CC1 ZINC000175848026 1184117825 /nfs/dbraw/zinc/11/78/25/1184117825.db2.gz DELIRYOQPNJOGZ-UHFFFAOYSA-N 0 0 300.366 0.477 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)Cn1nnc2ccccc21 ZINC000179020562 1185160940 /nfs/dbraw/zinc/16/09/40/1185160940.db2.gz HGUYCQNPPLTYQB-UHFFFAOYSA-N 0 0 303.366 0.710 10 0 DCAERN CNC(=O)Cc1nc(CN2CCO[C@@]3(CCOC3)C2)cs1 ZINC000185167836 1187241509 /nfs/dbraw/zinc/24/15/09/1187241509.db2.gz PMWWMHGYESQLTK-AWEZNQCLSA-N 0 0 311.407 0.423 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3cscn3)CC2)n1 ZINC000187388346 1187489891 /nfs/dbraw/zinc/48/98/91/1187489891.db2.gz AQMFQWXRZBPYCU-UHFFFAOYSA-N 0 0 323.378 0.631 10 0 DCAERN CCOC[C@H]1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000190078757 1187954922 /nfs/dbraw/zinc/95/49/22/1187954922.db2.gz GEJRANMOPXUNHJ-JTQLQIEISA-N 0 0 302.334 0.817 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)NC[C@@H](O)CO ZINC000302458600 1190174507 /nfs/dbraw/zinc/17/45/07/1190174507.db2.gz DOSCBZPRZHKORT-RXMQYKEDSA-N 0 0 307.119 0.253 10 0 DCAERN Nc1c(F)cccc1C(=O)NCCN1CCCS1(=O)=O ZINC000405460830 1190292360 /nfs/dbraw/zinc/29/23/60/1190292360.db2.gz WTSUSUYZDVPHIH-UHFFFAOYSA-N 0 0 301.343 0.173 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cc(F)c(F)cc1N ZINC000390242819 1190700670 /nfs/dbraw/zinc/70/06/70/1190700670.db2.gz KJKCDCMYLUOIKK-UHFFFAOYSA-N 0 0 307.322 0.216 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1coc(Br)c1 ZINC000393510200 1190701942 /nfs/dbraw/zinc/70/19/42/1190701942.db2.gz SRBNDXHAEGDLNC-RQJHMYQMSA-N 0 0 303.112 0.103 10 0 DCAERN COC(=O)c1sc(NCC[C@@]2(O)CCOC2)nc1Cl ZINC000404135612 747431736 /nfs/dbraw/zinc/43/17/36/747431736.db2.gz BYTXWKMKAVNRHZ-LLVKDONJSA-N 0 0 306.771 0.958 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000180796371 758201670 /nfs/dbraw/zinc/20/16/70/758201670.db2.gz NVAWRZSLHLUENO-JQWIXIFHSA-N 0 0 305.382 0.886 10 0 DCAERN COCCCNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000170338855 769361613 /nfs/dbraw/zinc/36/16/13/769361613.db2.gz ORWHTRTYPVXXDN-NSHDSACASA-N 0 0 308.334 0.095 10 0 DCAERN COCCOCC(=O)N(CCC(=O)OC)C[C@@H]1CCCO1 ZINC000096592834 769702799 /nfs/dbraw/zinc/70/27/99/769702799.db2.gz RKWHIRDEAYLZHZ-LBPRGKRZSA-N 0 0 303.355 0.220 10 0 DCAERN O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1cccnc1F ZINC000401832379 774067640 /nfs/dbraw/zinc/06/76/40/774067640.db2.gz NSRKNCSGSYRKKB-QMMMGPOBSA-N 0 0 308.356 0.076 10 0 DCAERN C[C@H](CN1CCCC1=O)NS(=O)(=O)c1cccnc1F ZINC000401837457 774067855 /nfs/dbraw/zinc/06/78/55/774067855.db2.gz PGQCVIFMKLMZEE-SECBINFHSA-N 0 0 301.343 0.510 10 0 DCAERN O=C(N[C@@H]1COC[C@@H]1O)c1cc(Br)cnc1Cl ZINC000323631507 776112908 /nfs/dbraw/zinc/11/29/08/776112908.db2.gz XPYZSENYGNSIOT-SFYZADRCSA-N 0 0 321.558 0.987 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N(C)CCCCO ZINC000384858752 948820229 /nfs/dbraw/zinc/82/02/29/948820229.db2.gz IAAONUVOMRXFFM-UHFFFAOYSA-N 0 0 308.381 0.323 10 0 DCAERN CC(C)(C)[N@@H+]1CC[C@@H](CNCCS(=O)(=O)CC(=O)[O-])C1 ZINC000693003116 968921871 /nfs/dbraw/zinc/92/18/71/968921871.db2.gz BZTXWFGKHHFMHD-NSHDSACASA-N 0 0 306.428 0.196 10 0 DCAERN CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694152233 976670970 /nfs/dbraw/zinc/67/09/70/976670970.db2.gz UQQZHTTZYJOACD-JTQLQIEISA-N 0 0 302.352 0.740 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000367670399 290605424 /nfs/dbraw/zinc/60/54/24/290605424.db2.gz FNWJXSKHZOQKTM-NSHDSACASA-N 0 0 323.378 0.462 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000076949756 185060491 /nfs/dbraw/zinc/06/04/91/185060491.db2.gz CLWHKZPPDJTHBE-CYBMUJFWSA-N 0 0 317.455 0.449 10 0 DCAERN CN(C(=O)Nc1ncnn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181266608 199273878 /nfs/dbraw/zinc/27/38/78/199273878.db2.gz PWNYBIUQCVQURT-LLVKDONJSA-N 0 0 316.369 0.738 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCNC(=O)OC ZINC000087562997 185228358 /nfs/dbraw/zinc/22/83/58/185228358.db2.gz QTQJFPMEBLPNPM-JTQLQIEISA-N 0 0 309.370 0.928 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)C(C)(C)C ZINC000088199873 185241667 /nfs/dbraw/zinc/24/16/67/185241667.db2.gz SRKCQWVCYJEWRJ-SNVBAGLBSA-N 0 0 307.398 0.954 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)C(C)(C)C ZINC000088199872 185241675 /nfs/dbraw/zinc/24/16/75/185241675.db2.gz SRKCQWVCYJEWRJ-JTQLQIEISA-N 0 0 307.398 0.954 10 0 DCAERN Cc1ccccc1CN(C)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092421715 185317177 /nfs/dbraw/zinc/31/71/77/185317177.db2.gz ZLOIILBQRGSSMI-AWEZNQCLSA-N 0 0 305.378 0.140 10 0 DCAERN CCc1nc(CN2CCN(C(=O)[C@@]3(C)CCCO3)CC2)no1 ZINC000153067332 529736490 /nfs/dbraw/zinc/73/64/90/529736490.db2.gz ASDUDCUDLBLZOA-OAHLLOKOSA-N 0 0 308.382 0.845 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N[C@@H]1CCCn2ncnc21 ZINC000097013324 185396991 /nfs/dbraw/zinc/39/69/91/185396991.db2.gz XJZJTFFLMDJVRW-GHMZBOCLSA-N 0 0 300.384 0.602 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2 ZINC000181596703 199325341 /nfs/dbraw/zinc/32/53/41/199325341.db2.gz JPKCGVRHSIBXFT-QWRGUYRKSA-N 0 0 320.397 0.246 10 0 DCAERN CNC(=O)CN1CCN(C(=O)CCCC[C@@H](C)C(C)=O)CC1 ZINC000154491279 529862670 /nfs/dbraw/zinc/86/26/70/529862670.db2.gz HCMCLMYNJLOLOK-CYBMUJFWSA-N 0 0 311.426 0.662 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@@]2(C)C(=O)OC)cs1 ZINC000186340671 529874595 /nfs/dbraw/zinc/87/45/95/529874595.db2.gz NPJFNYGMOPUAAF-AWEZNQCLSA-N 0 0 311.407 0.959 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)C(C)C ZINC000178440698 529896939 /nfs/dbraw/zinc/89/69/39/529896939.db2.gz BXRSCQUNRLBWFS-LBPRGKRZSA-N 0 0 314.430 0.167 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)NCCCc1ccccc1)C(C)C ZINC000179128322 529918507 /nfs/dbraw/zinc/91/85/07/529918507.db2.gz NYVURDOKCRHRJO-CQSZACIVSA-N 0 0 319.405 0.622 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000102860633 185423638 /nfs/dbraw/zinc/42/36/38/185423638.db2.gz BJFCINUHFOIZSB-LLVKDONJSA-N 0 0 321.358 0.991 10 0 DCAERN CN(CCN1CCCC1=O)C1=NS(=O)(=O)c2ccccc21 ZINC000301275469 529908929 /nfs/dbraw/zinc/90/89/29/529908929.db2.gz ZDTXWSLUGJTFRQ-UHFFFAOYSA-N 0 0 307.375 0.690 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000171488906 529923908 /nfs/dbraw/zinc/92/39/08/529923908.db2.gz VOGDLCSOQNYNOQ-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000171488624 529923313 /nfs/dbraw/zinc/92/33/13/529923313.db2.gz BHNSGQHBDUGBFG-GFCCVEGCSA-N 0 0 310.398 0.355 10 0 DCAERN CNC(=O)c1cccnc1N1CCC(NC(=O)C2CC2)CC1 ZINC000301349207 529951379 /nfs/dbraw/zinc/95/13/79/529951379.db2.gz IFXCTRUEKCJCRT-UHFFFAOYSA-N 0 0 302.378 0.936 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)cc1 ZINC000089751646 295714911 /nfs/dbraw/zinc/71/49/11/295714911.db2.gz LPCQTAJHFUWPDE-SECBINFHSA-N 0 0 311.135 0.984 10 0 DCAERN O=C(Cn1nc2cnccn2c1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000181696769 199339866 /nfs/dbraw/zinc/33/98/66/199339866.db2.gz BQNVKYRUBMGROC-NEPJUHHUSA-N 0 0 317.349 0.061 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000109266538 185559224 /nfs/dbraw/zinc/55/92/24/185559224.db2.gz CJVKEUQSRSVJMG-ZDUSSCGKSA-N 0 0 303.362 0.604 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@]1(O)CCSC1 ZINC000331098363 232530205 /nfs/dbraw/zinc/53/02/05/232530205.db2.gz NGPGQCKAKPZXLH-SCVCMEIPSA-N 0 0 323.436 0.116 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000287053029 219289037 /nfs/dbraw/zinc/28/90/37/219289037.db2.gz VPZZVKWVEXDCEJ-YPMHNXCESA-N 0 0 319.336 0.851 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000152752599 295798438 /nfs/dbraw/zinc/79/84/38/295798438.db2.gz WHQKHEXQHMTLTA-UTUOFQBUSA-N 0 0 318.381 0.046 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000179685994 186205224 /nfs/dbraw/zinc/20/52/24/186205224.db2.gz ITELCGFYRRYKTF-ZCFIWIBFSA-N 0 0 310.784 0.276 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)ccc1F ZINC000179685851 186205239 /nfs/dbraw/zinc/20/52/39/186205239.db2.gz ZOWYDRONOCBYFJ-LLVKDONJSA-N 0 0 302.327 0.009 10 0 DCAERN CCCn1cc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)cn1 ZINC000181930248 186220635 /nfs/dbraw/zinc/22/06/35/186220635.db2.gz HXFLDHVIUYAYAW-LBPRGKRZSA-N 0 0 300.428 0.759 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccnc(Cl)c2)C1 ZINC000181930838 186220737 /nfs/dbraw/zinc/22/07/37/186220737.db2.gz UGPITFPWKVHKHD-SECBINFHSA-N 0 0 318.786 0.890 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC000171887140 198000631 /nfs/dbraw/zinc/00/06/31/198000631.db2.gz NRAOPSGNVHOBCO-NSHDSACASA-N 0 0 309.370 0.794 10 0 DCAERN Cc1nc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)sc1C ZINC000172048792 198031682 /nfs/dbraw/zinc/03/16/82/198031682.db2.gz FPERJJXZENVXQA-VIFPVBQESA-N 0 0 318.424 0.915 10 0 DCAERN CCN(C(=O)NCCNS(C)(=O)=O)[C@@H](C)c1cccnc1 ZINC000172060775 198033181 /nfs/dbraw/zinc/03/31/81/198033181.db2.gz RIHLJBVTELPALI-NSHDSACASA-N 0 0 314.411 0.723 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3CN(C)CCO3)C2)cn1 ZINC000172121503 198042785 /nfs/dbraw/zinc/04/27/85/198042785.db2.gz VTFIZJGUIWLZTQ-OCCSQVGLSA-N 0 0 307.398 0.250 10 0 DCAERN C[C@@]1(C(N)=O)CN(S(=O)(=O)c2cccc(F)c2)CCO1 ZINC000072379559 191140529 /nfs/dbraw/zinc/14/05/29/191140529.db2.gz JLXPEXATTGOTED-LBPRGKRZSA-N 0 0 302.327 0.091 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172200404 198057024 /nfs/dbraw/zinc/05/70/24/198057024.db2.gz GPOHOVCPZQLZJD-RYUDHWBXSA-N 0 0 314.411 0.400 10 0 DCAERN CN1CCCN(C(=O)CN2CC(=O)NC2=O)c2ccccc21 ZINC000172362197 198085336 /nfs/dbraw/zinc/08/53/36/198085336.db2.gz YZSPMEUXMALCBV-UHFFFAOYSA-N 0 0 302.334 0.411 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2ccccn2)cn1 ZINC000172540071 198112610 /nfs/dbraw/zinc/11/26/10/198112610.db2.gz JPVLUJVEJWQKQA-CQSZACIVSA-N 0 0 313.361 0.909 10 0 DCAERN COc1ccc(Br)cc1CC(=O)N[C@@H](C)C(N)=O ZINC000172708276 198139520 /nfs/dbraw/zinc/13/95/20/198139520.db2.gz LKIUNUKPCBACMZ-ZETCQYMHSA-N 0 0 315.167 0.990 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172945796 198170010 /nfs/dbraw/zinc/17/00/10/198170010.db2.gz WQYZMJTUDPRICH-QWHCGFSZSA-N 0 0 304.346 0.814 10 0 DCAERN CC(C)(C)OC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1 ZINC000173101271 198184319 /nfs/dbraw/zinc/18/43/19/198184319.db2.gz INCNPHLUMGPUGT-UHFFFAOYSA-N 0 0 317.349 0.945 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173391455 198210091 /nfs/dbraw/zinc/21/00/91/198210091.db2.gz RFAXQIFRCHEFLQ-IINYFYTJSA-N 0 0 306.410 0.953 10 0 DCAERN Cc1nc(CNC(=O)NCC(=O)OCc2ccccc2)no1 ZINC000173561751 198226814 /nfs/dbraw/zinc/22/68/14/198226814.db2.gz WOHKIHUYURRTJK-UHFFFAOYSA-N 0 0 304.306 0.921 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCc1noc(C)n1 ZINC000173560335 198226903 /nfs/dbraw/zinc/22/69/03/198226903.db2.gz PEDVXUMDNUJOJW-NSHDSACASA-N 0 0 306.322 0.919 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173565468 198228127 /nfs/dbraw/zinc/22/81/27/198228127.db2.gz IHKZRZLRKGPVEP-RYUDHWBXSA-N 0 0 323.397 0.294 10 0 DCAERN Cc1ccc(CC(=O)Nc2ncn(CC(=O)N(C)C)n2)s1 ZINC000173782094 198251268 /nfs/dbraw/zinc/25/12/68/198251268.db2.gz LTDDBDHCJUNVDS-UHFFFAOYSA-N 0 0 307.379 0.917 10 0 DCAERN CC(=O)CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000173712350 198243211 /nfs/dbraw/zinc/24/32/11/198243211.db2.gz YGJZPJQXQISHQK-UHFFFAOYSA-N 0 0 301.368 0.101 10 0 DCAERN C[C@@](O)(CNC(=O)NCCCN1CCCC1=O)c1ccco1 ZINC000173919175 198269894 /nfs/dbraw/zinc/26/98/94/198269894.db2.gz RWDOBTMVXZLFJW-OAHLLOKOSA-N 0 0 309.366 0.799 10 0 DCAERN CC[C@H](O)C[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000174087871 198289711 /nfs/dbraw/zinc/28/97/11/198289711.db2.gz CAFTWYYUBYANNM-ROUUACIJSA-N 0 0 322.449 0.953 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)CNC(=O)c2ccccn2)CC1=O ZINC000174523650 198346612 /nfs/dbraw/zinc/34/66/12/198346612.db2.gz LNMQTKPLWGXMIE-NSHDSACASA-N 0 0 318.377 0.327 10 0 DCAERN COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182125549 199389982 /nfs/dbraw/zinc/38/99/82/199389982.db2.gz HVEWZWIUSOVFCK-ZCFIWIBFSA-N 0 0 312.269 0.940 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)C(F)(F)C3(O)CCCC3)C[C@@H]21 ZINC000378039119 283000674 /nfs/dbraw/zinc/00/06/74/283000674.db2.gz DGCFRXACEPYBDK-WDEREUQCSA-N 0 0 304.337 0.468 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccnn1C ZINC000182790391 199491038 /nfs/dbraw/zinc/49/10/38/199491038.db2.gz GWVUJWLTUVSIOK-UHFFFAOYSA-N 0 0 306.326 0.652 10 0 DCAERN CCOC(=O)CCNc1nc2ccccc2n2c(=O)[nH]nc12 ZINC000073737262 191349549 /nfs/dbraw/zinc/34/95/49/191349549.db2.gz RYUUIJJHKJTJJZ-UHFFFAOYSA-N 0 0 301.306 0.936 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000074752391 191355144 /nfs/dbraw/zinc/35/51/44/191355144.db2.gz XFCUWYRGJSZFNF-CYBMUJFWSA-N 0 0 319.361 0.613 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177635711 198754197 /nfs/dbraw/zinc/75/41/97/198754197.db2.gz VPFAVSXSCYOKLS-NSHDSACASA-N 0 0 303.297 0.487 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CCC1=O ZINC000078982329 283239040 /nfs/dbraw/zinc/23/90/40/283239040.db2.gz MIIOQTXXGLPDBQ-GHMZBOCLSA-N 0 0 310.398 0.306 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000179398620 199028011 /nfs/dbraw/zinc/02/80/11/199028011.db2.gz JVJPWPKSDQJFJC-GFCCVEGCSA-N 0 0 310.398 0.266 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](C)COCc1ccccc1 ZINC000179598244 199061256 /nfs/dbraw/zinc/06/12/56/199061256.db2.gz AESZVEPWWGDSLS-GFCCVEGCSA-N 0 0 314.407 0.647 10 0 DCAERN COC(=O)C1CCC(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000180146755 199123105 /nfs/dbraw/zinc/12/31/05/199123105.db2.gz ZOKXEGNGKUTPIY-BPCQOVAHSA-N 0 0 320.393 0.997 10 0 DCAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180266167 199138743 /nfs/dbraw/zinc/13/87/43/199138743.db2.gz DDKHYXUCXHTCAD-AWEZNQCLSA-N 0 0 301.346 0.732 10 0 DCAERN CCCN(C)c1ccc(C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000180270028 199139757 /nfs/dbraw/zinc/13/97/57/199139757.db2.gz DMBTZVSDNOYQJV-AWEZNQCLSA-N 0 0 305.378 0.859 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)[C@H](C)c2cnn(C)c2)CC1 ZINC000180380962 199152350 /nfs/dbraw/zinc/15/23/50/199152350.db2.gz OYXZYDHMOPQIHF-GFCCVEGCSA-N 0 0 307.398 0.104 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000180417786 199156157 /nfs/dbraw/zinc/15/61/57/199156157.db2.gz XTHNWSNYEFZDHB-RYUDHWBXSA-N 0 0 307.398 0.137 10 0 DCAERN CCCc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n(C)n1 ZINC000180708226 199199994 /nfs/dbraw/zinc/19/99/94/199199994.db2.gz ZOLJCBYPQMYOAY-AAEUAGOBSA-N 0 0 322.409 0.978 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180796124 199210216 /nfs/dbraw/zinc/21/02/16/199210216.db2.gz IDJLOHLYDMEIBS-GHMZBOCLSA-N 0 0 316.427 0.946 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000408071933 291155171 /nfs/dbraw/zinc/15/51/71/291155171.db2.gz DQIYBMKBQWIJAU-USZNOCQGSA-N 0 0 312.366 0.080 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)CCS1(=O)=O ZINC000155419586 237040194 /nfs/dbraw/zinc/04/01/94/237040194.db2.gz LBGHMIPSSLUBSH-MRVPVSSYSA-N 0 0 302.318 0.126 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000163681947 237116634 /nfs/dbraw/zinc/11/66/34/237116634.db2.gz DLROVHVKJIAJOO-MNOVXSKESA-N 0 0 304.350 0.441 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000173981813 237167943 /nfs/dbraw/zinc/16/79/43/237167943.db2.gz WOLXLIMVRWAMDV-VHSXEESVSA-N 0 0 316.427 0.481 10 0 DCAERN COc1cc(C)cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1O ZINC000187281620 200088461 /nfs/dbraw/zinc/08/84/61/200088461.db2.gz RPOQIJRKWRSXGC-LBPRGKRZSA-N 0 0 308.378 0.848 10 0 DCAERN O=S(=O)(NCCCOCCO)c1cccc2ncccc21 ZINC000186334223 237314258 /nfs/dbraw/zinc/31/42/58/237314258.db2.gz JNXLXXJPLNEEFF-UHFFFAOYSA-N 0 0 310.375 0.912 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@@H](C)O[C@H](CO)C3)cnc12 ZINC000187874220 237358860 /nfs/dbraw/zinc/35/88/60/237358860.db2.gz UGJWXFFOERMLOE-NEPJUHHUSA-N 0 0 317.345 0.225 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NCC1(CCO)CC1 ZINC000187968726 237365218 /nfs/dbraw/zinc/36/52/18/237365218.db2.gz OHTUWQMQGVGTMX-UHFFFAOYSA-N 0 0 308.353 0.763 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188754846 237380453 /nfs/dbraw/zinc/38/04/53/237380453.db2.gz ZPRFBZGMUUKLKA-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000188895428 237384389 /nfs/dbraw/zinc/38/43/89/237384389.db2.gz QHYDDUCKUVUAEI-VWYCJHECSA-N 0 0 308.382 0.926 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000188277185 200220419 /nfs/dbraw/zinc/22/04/19/200220419.db2.gz GOIFAWRAVSQLBY-GFCCVEGCSA-N 0 0 316.427 0.151 10 0 DCAERN C[C@]1(C(=O)N2CCO[C@H](c3nccs3)C2)CCC(=O)NC1 ZINC000281096684 216077412 /nfs/dbraw/zinc/07/74/12/216077412.db2.gz ADUVXSNMBIFAFC-HZMBPMFUSA-N 0 0 309.391 0.959 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H]1C(N)=O ZINC000285658528 291203577 /nfs/dbraw/zinc/20/35/77/291203577.db2.gz XMXFTSABVQWMQK-OTYXRUKQSA-N 0 0 317.345 0.286 10 0 DCAERN COc1cc(OC)cc(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188690430 200289030 /nfs/dbraw/zinc/28/90/30/200289030.db2.gz SWYRAVOKOXAAFU-GFCCVEGCSA-N 0 0 308.378 0.842 10 0 DCAERN CCc1ccccc1S(=O)(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188728860 200295647 /nfs/dbraw/zinc/29/56/47/200295647.db2.gz VVTOKWHDXFGYLW-CYBMUJFWSA-N 0 0 312.435 0.936 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000153854876 291209377 /nfs/dbraw/zinc/20/93/77/291209377.db2.gz NYCWTNSXSFWNHZ-YPMHNXCESA-N 0 0 313.361 0.923 10 0 DCAERN COCCc1cc(NC(=O)Cn2c(C)cc(O)cc2=O)n(C)n1 ZINC000156863372 291226378 /nfs/dbraw/zinc/22/63/78/291226378.db2.gz YQEFFDZXYNCRSS-UHFFFAOYSA-N 0 0 320.349 0.423 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)NCCCN1CCCC1=O ZINC000158250941 291230985 /nfs/dbraw/zinc/23/09/85/291230985.db2.gz YXHHLLSJENKFPD-UHFFFAOYSA-N 0 0 312.414 0.460 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000167133482 291248976 /nfs/dbraw/zinc/24/89/76/291248976.db2.gz UROZDMXXXJWVJW-SECBINFHSA-N 0 0 320.436 0.692 10 0 DCAERN CC(C)(C)OCCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000308570424 291252072 /nfs/dbraw/zinc/25/20/72/291252072.db2.gz HPMQWXUTKRTDFK-UHFFFAOYSA-N 0 0 300.380 0.879 10 0 DCAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCNC(=O)C1 ZINC000158060737 296046926 /nfs/dbraw/zinc/04/69/26/296046926.db2.gz GMADIQXXTOJUFN-SSDOTTSWSA-N 0 0 316.283 0.492 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000283545176 296047605 /nfs/dbraw/zinc/04/76/05/296047605.db2.gz UQPFGEJVTRBVGO-SUZMYJTESA-N 0 0 303.366 0.179 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)o1 ZINC000408396930 239268212 /nfs/dbraw/zinc/26/82/12/239268212.db2.gz VIUXPUABUADFJZ-GHMZBOCLSA-N 0 0 302.396 0.664 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCS[C@@H](C)C1 ZINC000281710503 216490913 /nfs/dbraw/zinc/49/09/13/216490913.db2.gz WLWQQXLHTHILPY-ZETCQYMHSA-N 0 0 304.393 0.813 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Cn1cccn1 ZINC000275494869 212371197 /nfs/dbraw/zinc/37/11/97/212371197.db2.gz ASVZSZVCIARORH-STQMWFEESA-N 0 0 318.356 0.749 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000566834384 291325184 /nfs/dbraw/zinc/32/51/84/291325184.db2.gz BNBILAVEIWVNJE-UHFFFAOYSA-N 0 0 300.318 0.874 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091780262 294199968 /nfs/dbraw/zinc/19/99/68/294199968.db2.gz HNAZNBYRJAXCGJ-VIFPVBQESA-N 0 0 316.155 0.114 10 0 DCAERN CCc1nc(C(C)(C)NCC(=O)NC(=O)NCC(C)C)no1 ZINC000441230949 240507112 /nfs/dbraw/zinc/50/71/12/240507112.db2.gz MGVSKXWSDXXVGN-UHFFFAOYSA-N 0 0 311.386 0.939 10 0 DCAERN CCOC(=O)CN(C)C(=O)CNC(C)(C)c1noc(CC)n1 ZINC000441248391 240508615 /nfs/dbraw/zinc/50/86/15/240508615.db2.gz ACJDHPDECZUSTJ-UHFFFAOYSA-N 0 0 312.370 0.478 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442098321 240539628 /nfs/dbraw/zinc/53/96/28/240539628.db2.gz ZAXSEQWXTAOKGK-LLVKDONJSA-N 0 0 309.391 0.655 10 0 DCAERN COc1cccc([C@@H](C)CC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784445 193107553 /nfs/dbraw/zinc/10/75/53/193107553.db2.gz NBLNERCGLCVPRJ-SMDDNHRTSA-N 0 0 306.362 0.902 10 0 DCAERN CCc1nc(C)c(NC(=O)NCCCS(N)(=O)=O)s1 ZINC000455198558 240835030 /nfs/dbraw/zinc/83/50/30/240835030.db2.gz FAWOUEWDGDTWKK-UHFFFAOYSA-N 0 0 306.413 0.814 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1=O ZINC000091983056 193135865 /nfs/dbraw/zinc/13/58/65/193135865.db2.gz PZEOUPXQQLTQJM-NSHDSACASA-N 0 0 306.366 0.147 10 0 DCAERN O=C(NCCc1ccc(F)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000457428800 241005831 /nfs/dbraw/zinc/00/58/31/241005831.db2.gz YXICGYGBIFRUCW-CYBMUJFWSA-N 0 0 307.329 0.320 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@]3(C)CCCCO3)CC2)n1 ZINC000457519268 241010094 /nfs/dbraw/zinc/01/00/94/241010094.db2.gz DWOZVEBFQRAGPT-OAHLLOKOSA-N 0 0 308.382 0.981 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457768467 241033570 /nfs/dbraw/zinc/03/35/70/241033570.db2.gz SICBWFDSIGYOOF-YBXAARCKSA-N 0 0 324.377 0.174 10 0 DCAERN O=C(NC[C@@H]1CCc2nccn2C1)N[C@H]1CCCCNC1=O ZINC000275225662 212207643 /nfs/dbraw/zinc/20/76/43/212207643.db2.gz AWPJBISTTCMGIY-RYUDHWBXSA-N 0 0 305.382 0.413 10 0 DCAERN Cc1ccccc1Cc1noc(CN2CCOC[C@H]2C(N)=O)n1 ZINC000092229441 193177294 /nfs/dbraw/zinc/17/72/94/193177294.db2.gz SQCWCWJMBFYKLZ-ZDUSSCGKSA-N 0 0 316.361 0.655 10 0 DCAERN CC(C)OC(=O)c1ccc(CN2CCOC[C@H]2C(N)=O)cc1 ZINC000092229223 193177327 /nfs/dbraw/zinc/17/73/27/193177327.db2.gz JKLPIDVIXDZCLK-AWEZNQCLSA-N 0 0 306.362 0.938 10 0 DCAERN Cc1noc(C2CCN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C)CC2)n1 ZINC000282172433 216796631 /nfs/dbraw/zinc/79/66/31/216796631.db2.gz JSOLMLTVGPWVFU-JOYOIKCWSA-N 0 0 321.381 0.934 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367527220 291444058 /nfs/dbraw/zinc/44/40/58/291444058.db2.gz MUUUSFCQQHDQNY-RFQIPJPRSA-N 0 0 310.394 0.507 10 0 DCAERN COC[C@@H]1CCN1C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000568796010 291447364 /nfs/dbraw/zinc/44/73/64/291447364.db2.gz OTZHNXIILXSFKF-BFQNTYOBSA-N 0 0 323.393 0.734 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)[C@@H]1CCNC(=O)C1 ZINC000568903880 291453038 /nfs/dbraw/zinc/45/30/38/291453038.db2.gz ZIXZOCPMGPHNGL-VXGBXAGGSA-N 0 0 304.346 0.859 10 0 DCAERN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCNC(=O)CC1 ZINC000093101694 193202643 /nfs/dbraw/zinc/20/26/43/193202643.db2.gz ZBUCVHAJYCCJRJ-UHFFFAOYSA-N 0 0 322.409 0.773 10 0 DCAERN COC(=O)c1sccc1NC(=O)CN1CCO[C@@H](CO)C1 ZINC000094268111 193355120 /nfs/dbraw/zinc/35/51/20/193355120.db2.gz AHEMYMUGFBYSKD-SECBINFHSA-N 0 0 314.363 0.166 10 0 DCAERN O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCN2CCOC[C@H]2C1 ZINC000374959898 296153153 /nfs/dbraw/zinc/15/31/53/296153153.db2.gz FGJOKDGVEIFVCZ-UKRRQHHQSA-N 0 0 316.357 0.311 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)Nc1ccccc1F ZINC000189596058 284200634 /nfs/dbraw/zinc/20/06/34/284200634.db2.gz PEWRRMZPYWUTFQ-JSGCOSHPSA-N 0 0 310.325 0.763 10 0 DCAERN O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)N1CCCC1 ZINC000264195089 203758043 /nfs/dbraw/zinc/75/80/43/203758043.db2.gz NSJRIOMLMCRKJN-LBPRGKRZSA-N 0 0 311.411 0.376 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c(C)s1 ZINC000264709138 204092285 /nfs/dbraw/zinc/09/22/85/204092285.db2.gz BAWKQTHGYPSPJU-LBPRGKRZSA-N 0 0 317.480 0.889 10 0 DCAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000264835001 204193073 /nfs/dbraw/zinc/19/30/73/204193073.db2.gz BDKBUMIJXFZUSX-OLZOCXBDSA-N 0 0 319.409 0.746 10 0 DCAERN Cc1cnc(N2CCN(C(=O)COc3cnn(C)c3)CC2)s1 ZINC000571622433 291523840 /nfs/dbraw/zinc/52/38/40/291523840.db2.gz LOFPPASGYMJVFH-UHFFFAOYSA-N 0 0 321.406 0.913 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000282562144 217090432 /nfs/dbraw/zinc/09/04/32/217090432.db2.gz OINUZXWDIXTKMG-IONNQARKSA-N 0 0 303.771 0.680 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000332856523 296184194 /nfs/dbraw/zinc/18/41/94/296184194.db2.gz ZZYUUCPYUFKZIC-KBUPBQIOSA-N 0 0 311.426 0.652 10 0 DCAERN CC(C)NC(=O)c1nnc(N2CCn3cnnc3[C@@H]2C)n1C ZINC000572528420 291573576 /nfs/dbraw/zinc/57/35/76/291573576.db2.gz PUMUTVANFSPYPD-VIFPVBQESA-N 0 0 304.358 0.126 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194083268 284525793 /nfs/dbraw/zinc/52/57/93/284525793.db2.gz RKKYDTVPOUWNRL-STQMWFEESA-N 0 0 309.410 0.905 10 0 DCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC(CO)C1 ZINC000573420470 291630237 /nfs/dbraw/zinc/63/02/37/291630237.db2.gz JXRCUSDDVTVMHG-UHFFFAOYSA-N 0 0 306.366 0.683 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)NCCc2nc(C)no2)cc1 ZINC000101618138 193829050 /nfs/dbraw/zinc/82/90/50/193829050.db2.gz BHEKEDCYFXOVMD-ZDUSSCGKSA-N 0 0 320.349 0.962 10 0 DCAERN COC[C@H]1CN(C(=O)C(=O)NC2CCC3(CC3)CC2)CCO1 ZINC000573712548 291650407 /nfs/dbraw/zinc/65/04/07/291650407.db2.gz GQHFEONQMUFEPA-CYBMUJFWSA-N 0 0 310.394 0.699 10 0 DCAERN CNC(=O)CNS(=O)(=O)c1cc(Br)ccc1N ZINC000037929435 182938220 /nfs/dbraw/zinc/93/82/20/182938220.db2.gz LRNNWCBVRQDBBZ-UHFFFAOYSA-N 0 0 322.184 0.056 10 0 DCAERN CS(=O)(=O)c1ccccc1CC(=O)N1CCC(C(N)=O)CC1 ZINC000041501738 183194589 /nfs/dbraw/zinc/19/45/89/183194589.db2.gz YGBUJOFGIHUDBU-UHFFFAOYSA-N 0 0 324.402 0.357 10 0 DCAERN COC[C@H](O)CN(C)S(=O)(=O)c1cnc(Cl)s1 ZINC000042525473 183280452 /nfs/dbraw/zinc/28/04/52/183280452.db2.gz XXRZFKCSKTYBJV-ZCFIWIBFSA-N 0 0 300.789 0.424 10 0 DCAERN C[C@H]1CN(c2ccc(CNC(=O)NCCO)cn2)C[C@H](C)O1 ZINC000042874057 183316274 /nfs/dbraw/zinc/31/62/74/183316274.db2.gz VOSSJGBTIPSVSM-RYUDHWBXSA-N 0 0 308.382 0.487 10 0 DCAERN CC(C)Oc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000104783935 194040387 /nfs/dbraw/zinc/04/03/87/194040387.db2.gz CAOSLHQMKGLDHB-AWEZNQCLSA-N 0 0 322.409 0.999 10 0 DCAERN CC[C@](C)(O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000105110050 194075027 /nfs/dbraw/zinc/07/50/27/194075027.db2.gz GJZWFYOBGLUJJU-HNNXBMFYSA-N 0 0 307.398 0.906 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105855906 194147606 /nfs/dbraw/zinc/14/76/06/194147606.db2.gz UVYYVSGTSOFVAL-VXGBXAGGSA-N 0 0 323.422 0.753 10 0 DCAERN CCOc1ccnc(N2CCN(CC(=O)N(CC)CC)CC2)n1 ZINC000105868346 194151422 /nfs/dbraw/zinc/15/14/22/194151422.db2.gz AWVCKHWRWRNLNW-UHFFFAOYSA-N 0 0 321.425 0.866 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000106382463 194203767 /nfs/dbraw/zinc/20/37/67/194203767.db2.gz YHRGVJLVDBXEAR-NSHDSACASA-N 0 0 304.437 0.825 10 0 DCAERN CNc1ncc(Br)cc1C(=O)NC(C)(C)C(N)=O ZINC000050789964 183804827 /nfs/dbraw/zinc/80/48/27/183804827.db2.gz BIIZDXUTMVLHAB-UHFFFAOYSA-N 0 0 315.171 0.880 10 0 DCAERN O=S(=O)(CCNc1ccnc(C2CC2)n1)N1CCOCC1 ZINC000110393072 194327778 /nfs/dbraw/zinc/32/77/78/194327778.db2.gz OFBHODNKQMAJNH-UHFFFAOYSA-N 0 0 312.395 0.428 10 0 DCAERN O=C(NCCCN1CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000110595078 194340941 /nfs/dbraw/zinc/34/09/41/194340941.db2.gz HKUFLEQXTUPPJP-ZDUSSCGKSA-N 0 0 324.450 0.950 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(C(N)=O)cn1 ZINC000110852294 194363797 /nfs/dbraw/zinc/36/37/97/194363797.db2.gz YIZKQOVFUBSOQT-CYBMUJFWSA-N 0 0 318.377 0.654 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000110898782 194368122 /nfs/dbraw/zinc/36/81/22/194368122.db2.gz DWDTUZUVZOCZEX-KGLIPLIRSA-N 0 0 320.393 0.206 10 0 DCAERN COCCOCCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110956811 194374815 /nfs/dbraw/zinc/37/48/15/194374815.db2.gz YZYJFFNBLRVOKX-OAHLLOKOSA-N 0 0 314.426 0.753 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccn(C)n3)CCO2)c1 ZINC000112126705 194434005 /nfs/dbraw/zinc/43/40/05/194434005.db2.gz AJEGXBQDXXDMAP-GFCCVEGCSA-N 0 0 304.354 0.858 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)CNC(=O)COc1ccccc1 ZINC000058964854 184132978 /nfs/dbraw/zinc/13/29/78/184132978.db2.gz KNEQCGJGGSGXTG-AWEZNQCLSA-N 0 0 306.362 0.819 10 0 DCAERN CCN(CCCNC(=O)N1CCOCC[C@@H]1C)S(C)(=O)=O ZINC000367677513 284903122 /nfs/dbraw/zinc/90/31/22/284903122.db2.gz DZBQHSONZIPJMX-LBPRGKRZSA-N 0 0 321.443 0.478 10 0 DCAERN COCCCN(C)S(=O)(=O)c1ccc(C(N)=S)cc1 ZINC000062034675 184202499 /nfs/dbraw/zinc/20/24/99/184202499.db2.gz MMKBJDBTGSXYFB-UHFFFAOYSA-N 0 0 302.421 0.978 10 0 DCAERN CN1N=C(C(=O)N2CCC(Cn3cccn3)CC2)CCC1=O ZINC000062131145 184207648 /nfs/dbraw/zinc/20/76/48/184207648.db2.gz BHLSAAOSJXLAEM-UHFFFAOYSA-N 0 0 303.366 0.730 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H](C)CC(N)=S ZINC000063088456 184270302 /nfs/dbraw/zinc/27/03/02/184270302.db2.gz HDGWMYSYGTXRQS-SSDOTTSWSA-N 0 0 304.441 0.722 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)Nc1c(N)cccc1Cl ZINC000063142113 184273355 /nfs/dbraw/zinc/27/33/55/184273355.db2.gz JVYMBZJBVXVBMS-UHFFFAOYSA-N 0 0 312.800 0.709 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)CS(=O)(=O)CC ZINC000063705576 184287032 /nfs/dbraw/zinc/28/70/32/184287032.db2.gz UMAGTOBKKGABMW-LLVKDONJSA-N 0 0 304.412 0.281 10 0 DCAERN COCCN(Cc1cnc2nc(C)cc(C)n12)[C@H](C)C(N)=O ZINC000093138328 285000589 /nfs/dbraw/zinc/00/05/89/285000589.db2.gz UOPIEZADOWETJC-GFCCVEGCSA-N 0 0 305.382 0.668 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H]3CCOC3)c2)no1 ZINC000178654727 252609056 /nfs/dbraw/zinc/60/90/56/252609056.db2.gz FHNQVICUFKJKDC-LBPRGKRZSA-N 0 0 316.317 0.889 10 0 DCAERN Cn1nc(C(=O)N[C@H]2CCCn3ncnc32)cc1OC(F)F ZINC000185805160 252613114 /nfs/dbraw/zinc/61/31/14/252613114.db2.gz HBQXEAVSYPASOP-ZETCQYMHSA-N 0 0 312.280 0.878 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174169804 252596641 /nfs/dbraw/zinc/59/66/41/252596641.db2.gz YLDVGPIXRFDDJQ-CHWSQXEVSA-N 0 0 320.397 0.636 10 0 DCAERN O=C(Cn1ccnn1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000175109739 252600269 /nfs/dbraw/zinc/60/02/69/252600269.db2.gz XSNQGFPHLOZDGO-UHFFFAOYSA-N 0 0 313.361 0.699 10 0 DCAERN O=C([C@@H]1CCCC(=O)N1)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000333326825 252706725 /nfs/dbraw/zinc/70/67/25/252706725.db2.gz AHWJMNXXAPKTFD-KBPBESRZSA-N 0 0 321.421 0.953 10 0 DCAERN CN1CCO[C@@H]2CN(S(=O)(=O)NCc3ccccc3)C[C@@H]21 ZINC000333925217 252777239 /nfs/dbraw/zinc/77/72/39/252777239.db2.gz UIVSTIGXLAJQNZ-UONOGXRCSA-N 0 0 311.407 0.036 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2n(n1)CCCC2 ZINC000333726620 252756558 /nfs/dbraw/zinc/75/65/58/252756558.db2.gz JCPZXYZWYMNAOC-SECBINFHSA-N 0 0 309.395 0.864 10 0 DCAERN COCCN1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@@H]1C ZINC000117289327 285041475 /nfs/dbraw/zinc/04/14/75/285041475.db2.gz OGGRJVSMRHHJON-GJZGRUSLSA-N 0 0 314.426 0.751 10 0 DCAERN Cn1cc(Br)c(C(=O)N[C@H]2CCCNC2=O)n1 ZINC000339532251 253100778 /nfs/dbraw/zinc/10/07/78/253100778.db2.gz BUFSXFIYIQAKOC-ZETCQYMHSA-N 0 0 301.144 0.191 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000339717573 253133297 /nfs/dbraw/zinc/13/32/97/253133297.db2.gz YJNKBFDPSPWIQE-CMPLNLGQSA-N 0 0 304.412 0.661 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)C[C@@H](C)O1 ZINC000340596660 253282320 /nfs/dbraw/zinc/28/23/20/253282320.db2.gz OWBXTBZTHJLHOX-IWSPIJDZSA-N 0 0 320.333 0.243 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)c1 ZINC000288643535 220315696 /nfs/dbraw/zinc/31/56/96/220315696.db2.gz ULRRRFBHQXNMBB-INIZCTEOSA-N 0 0 319.361 0.737 10 0 DCAERN CNc1snc(C)c1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328631877 533106356 /nfs/dbraw/zinc/10/63/56/533106356.db2.gz RMFRMUFSCACEJR-UHFFFAOYSA-N 0 0 319.390 0.785 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 ZINC000346075777 254005894 /nfs/dbraw/zinc/00/58/94/254005894.db2.gz OQIJNVMEEDMKFF-HNNXBMFYSA-N 0 0 316.361 0.945 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000104745777 220435518 /nfs/dbraw/zinc/43/55/18/220435518.db2.gz XLNQIFODDMTAQR-IUCAKERBSA-N 0 0 305.425 0.895 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](CO)C1)CC2 ZINC000114976660 220441495 /nfs/dbraw/zinc/44/14/95/220441495.db2.gz UZXXBHWUAZRODD-RYUDHWBXSA-N 0 0 307.398 0.569 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000346782413 254095787 /nfs/dbraw/zinc/09/57/87/254095787.db2.gz YNCCPZVZYRCNSC-CYBMUJFWSA-N 0 0 316.361 0.826 10 0 DCAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2noc(C3CC3)n2)C1=O ZINC000347812876 254193536 /nfs/dbraw/zinc/19/35/36/254193536.db2.gz SYYPBXXQHMMLSS-GHMZBOCLSA-N 0 0 319.365 0.709 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nncn2C)C1 ZINC000245575212 296394764 /nfs/dbraw/zinc/39/47/64/296394764.db2.gz HOOOXXKMIFPVHR-NEPJUHHUSA-N 0 0 313.427 0.929 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@@H](O)C[C@H]1C ZINC000351054072 254332673 /nfs/dbraw/zinc/33/26/73/254332673.db2.gz JBUFAOWONWIKTM-PWSUYJOCSA-N 0 0 319.361 0.590 10 0 DCAERN C[C@@H](CNC(=O)COc1ccc(F)cc1Cl)S(N)(=O)=O ZINC000350618380 254319189 /nfs/dbraw/zinc/31/91/89/254319189.db2.gz DKIKBZPTIMSKLR-ZETCQYMHSA-N 0 0 324.761 0.651 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350618999 254319269 /nfs/dbraw/zinc/31/92/69/254319269.db2.gz GRMXVNPJASWAHY-NSHDSACASA-N 0 0 300.380 0.475 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350619061 254319502 /nfs/dbraw/zinc/31/95/02/254319502.db2.gz HBYJFCLGXBPGNU-JTQLQIEISA-N 0 0 302.421 0.880 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350628869 254321231 /nfs/dbraw/zinc/32/12/31/254321231.db2.gz KLJZJOSNWILGSY-SNVBAGLBSA-N 0 0 300.380 0.882 10 0 DCAERN C[C@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)S(N)(=O)=O ZINC000350629552 254321427 /nfs/dbraw/zinc/32/14/27/254321427.db2.gz POEPTMOAULGAMX-ZCFIWIBFSA-N 0 0 320.754 0.476 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000176350774 533188405 /nfs/dbraw/zinc/18/84/05/533188405.db2.gz XOXBUVADCGARGM-HNNXBMFYSA-N 0 0 305.334 0.440 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000113600871 285264942 /nfs/dbraw/zinc/26/49/42/285264942.db2.gz QEHVXIJVQDUJMT-XQQFMLRXSA-N 0 0 319.471 0.934 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)C(C)(C)O)C[C@@H](C)O1 ZINC000393553095 262161141 /nfs/dbraw/zinc/16/11/41/262161141.db2.gz WBILHXMBVGPNSG-GHMZBOCLSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186830967 533221170 /nfs/dbraw/zinc/22/11/70/533221170.db2.gz JTDWTXRZAGEBDK-NEPJUHHUSA-N 0 0 318.377 0.886 10 0 DCAERN CCN1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)c2ccccc21 ZINC000171972731 285313547 /nfs/dbraw/zinc/31/35/47/285313547.db2.gz TVDOBTKEZDYFDA-ZDUSSCGKSA-N 0 0 318.421 0.926 10 0 DCAERN Cc1nnc([C@]23CCO[C@H]2CCN(C(=O)c2cnccn2)C3)o1 ZINC000248023033 257110484 /nfs/dbraw/zinc/11/04/84/257110484.db2.gz MQDNMLTVJHLTBW-WFASDCNBSA-N 0 0 315.333 0.741 10 0 DCAERN Cc1nnc(N2C[C@H](C(=O)N3CCCO3)C[C@@H]3OCC[C@@H]32)s1 ZINC000248013878 257111954 /nfs/dbraw/zinc/11/19/54/257111954.db2.gz JTUWKTYCVJIQIS-WOPDTQHZSA-N 0 0 324.406 0.994 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)Cc2ccnn21 ZINC000247948402 257114104 /nfs/dbraw/zinc/11/41/04/257114104.db2.gz KQWKGEOBSZYNLD-NSHDSACASA-N 0 0 303.322 0.431 10 0 DCAERN CNC(=O)C[C@H]1CN(C(=O)Cc2ccco2)Cc2ccnn21 ZINC000247943062 257114351 /nfs/dbraw/zinc/11/43/51/257114351.db2.gz JFPSPMUZUHEMMJ-LBPRGKRZSA-N 0 0 302.334 0.738 10 0 DCAERN COCC(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@@H]2OCC[C@@H]21 ZINC000247821192 257116903 /nfs/dbraw/zinc/11/69/03/257116903.db2.gz HZPOIOVHGKMDBL-XBFCOCLRSA-N 0 0 319.361 0.673 10 0 DCAERN CS(=O)(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F ZINC000247517499 257119144 /nfs/dbraw/zinc/11/91/44/257119144.db2.gz KILPXHLIFPIXKV-JTQLQIEISA-N 0 0 316.354 0.650 10 0 DCAERN COCC(=O)N1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 ZINC000253600309 257105539 /nfs/dbraw/zinc/10/55/39/257105539.db2.gz JQJBFKAOMZLEMC-ZDUSSCGKSA-N 0 0 320.393 0.851 10 0 DCAERN CC[NH+]1CCN(c2nc3cc(C(=O)[O-])ccc3c(=O)n2C)CC1 ZINC000040351710 285340141 /nfs/dbraw/zinc/34/01/41/285340141.db2.gz YXEJOZUHIRLEKD-UHFFFAOYSA-N 0 0 316.361 0.774 10 0 DCAERN C[C@@H](O)CN(C(=O)c1cccc(-n2cncn2)c1)[C@H](C)CO ZINC000189328537 533637500 /nfs/dbraw/zinc/63/75/00/533637500.db2.gz NHWTYRYMCUBVSS-VXGBXAGGSA-N 0 0 304.350 0.471 10 0 DCAERN CN(CCCCO)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000276161396 130447943 /nfs/dbraw/zinc/44/79/43/130447943.db2.gz BFDYDTQWEKQJAX-UHFFFAOYSA-N 0 0 301.364 0.851 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276649801 130530946 /nfs/dbraw/zinc/53/09/46/130530946.db2.gz YCEXTPKBGCBDKB-AGIUHOORSA-N 0 0 319.409 0.704 10 0 DCAERN CCN1c2ccc(C)cc2[C@@]2(NC(=O)[C@@H]3COCCN32)C1=O ZINC000093884567 285471662 /nfs/dbraw/zinc/47/16/62/285471662.db2.gz VRHFYTZJYPJEPE-BBRMVZONSA-N 0 0 301.346 0.345 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000283942401 131035693 /nfs/dbraw/zinc/03/56/93/131035693.db2.gz JURZUFGTUGKVOY-LSDHHAIUSA-N 0 0 321.425 0.696 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284167693 131055606 /nfs/dbraw/zinc/05/56/06/131055606.db2.gz RJCVDRUYYSTJCF-XQQFMLRXSA-N 0 0 321.377 0.329 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@H]21 ZINC000284278617 131066101 /nfs/dbraw/zinc/06/61/01/131066101.db2.gz YRUQUDFBLHBILP-OLZOCXBDSA-N 0 0 321.377 0.331 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ncn(-c3ccccc3)n2)C1 ZINC000284531504 131089662 /nfs/dbraw/zinc/08/96/62/131089662.db2.gz FMXQMPXJIBEINS-STQMWFEESA-N 0 0 301.350 0.342 10 0 DCAERN Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000284622223 131098016 /nfs/dbraw/zinc/09/80/16/131098016.db2.gz JBFOLZGSYHOJFX-LBPRGKRZSA-N 0 0 317.324 0.485 10 0 DCAERN Cn1cc(-c2cc(C[N@@H+]3CC[C@H]4OCCN(C)[C@H]4C3)on2)cn1 ZINC000284706241 131105537 /nfs/dbraw/zinc/10/55/37/131105537.db2.gz IUQDOGVKMZSOEF-JKSUJKDBSA-N 0 0 317.393 0.980 10 0 DCAERN 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305.425 0.723 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)COc2cccc3c2CCC3=O)C1 ZINC000120914447 132147115 /nfs/dbraw/zinc/14/71/15/132147115.db2.gz LYKUAHFTIFVSSY-NSHDSACASA-N 0 0 316.357 0.918 10 0 DCAERN C[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000122281778 132162744 /nfs/dbraw/zinc/16/27/44/132162744.db2.gz CWBQGCVEYQLAOS-APPZFPTMSA-N 0 0 306.288 0.514 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N2CCOC[C@@H]2C(N)=O)s1 ZINC000180189059 292047569 /nfs/dbraw/zinc/04/75/69/292047569.db2.gz DBGDIFJWGKRVBL-SNVBAGLBSA-N 0 0 310.375 0.732 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1=O ZINC000014026274 395688987 /nfs/dbraw/zinc/68/89/87/395688987.db2.gz QODQRNUEKHQQQL-CYBMUJFWSA-N 0 0 317.389 0.860 10 0 DCAERN COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1OC ZINC000000986776 395680658 /nfs/dbraw/zinc/68/06/58/395680658.db2.gz CPJHKSZOGGCYAN-UKTHLTGXSA-N 0 0 304.371 0.779 10 0 DCAERN CC[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000087040568 395705486 /nfs/dbraw/zinc/70/54/86/395705486.db2.gz 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/nfs/dbraw/zinc/74/00/49/395740049.db2.gz MQSNMKGERUIPLN-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3C(N)=O)CC2=O)cc1 ZINC000044646470 395757661 /nfs/dbraw/zinc/75/76/61/395757661.db2.gz XRZDXURWDXKFHT-GXTWGEPZSA-N 0 0 315.373 0.824 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000106398007 395782513 /nfs/dbraw/zinc/78/25/13/395782513.db2.gz ZKIBEQJUPIJFHZ-FPTDNZKUSA-N 0 0 324.446 0.953 10 0 DCAERN O=c1ccn2c(n1)O[C@H]1[C@H]2O[C@H](COCc2ccccc2)[C@@H]1O ZINC000106381718 395782752 /nfs/dbraw/zinc/78/27/52/395782752.db2.gz SIIADAUAAHGNDX-FAAHXZRKSA-N 0 0 316.313 0.479 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(Cl)cn1 ZINC000194054425 395787207 /nfs/dbraw/zinc/78/72/07/395787207.db2.gz PPXBKFMNOZCJGA-QMMMGPOBSA-N 0 0 305.787 0.631 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CCCO2)s1 ZINC000108284892 395787903 /nfs/dbraw/zinc/78/79/03/395787903.db2.gz DOGIVYUGJDOBSG-VIFPVBQESA-N 0 0 318.420 0.623 10 0 DCAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC000097942235 395761290 /nfs/dbraw/zinc/76/12/90/395761290.db2.gz CTJQRSOFRXVJFR-DCAQKATOSA-N 0 0 300.405 0.900 10 0 DCAERN CCNC(=O)CN(CC)C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000045198476 395762104 /nfs/dbraw/zinc/76/21/04/395762104.db2.gz ZKZKWGFSOPQYCG-CYBMUJFWSA-N 0 0 319.409 0.678 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccnc2)C1 ZINC000102102081 395769189 /nfs/dbraw/zinc/76/91/89/395769189.db2.gz UIVAWGUGFZFVEZ-ZDUSSCGKSA-N 0 0 318.377 0.927 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1C ZINC000194142578 395789542 /nfs/dbraw/zinc/78/95/42/395789542.db2.gz AHWBZCAMNWBKBA-CYBMUJFWSA-N 0 0 324.402 0.961 10 0 DCAERN CC(C)c1noc2ncc(C(=O)NCCS(N)(=O)=O)cc21 ZINC000193690775 395776560 /nfs/dbraw/zinc/77/65/60/395776560.db2.gz HPSDDDYIAUFQGF-UHFFFAOYSA-N 0 0 312.351 0.365 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000193750681 395778278 /nfs/dbraw/zinc/77/82/78/395778278.db2.gz ACBNEEMJICZRNT-AAEUAGOBSA-N 0 0 318.377 0.240 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000194712778 395804282 /nfs/dbraw/zinc/80/42/82/395804282.db2.gz LXEPVALDAIJULR-NSHDSACASA-N 0 0 311.332 0.905 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000047995897 395805612 /nfs/dbraw/zinc/80/56/12/395805612.db2.gz COGNYWMIJKJZIY-UHFFFAOYSA-N 0 0 312.414 0.411 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000194724762 395805851 /nfs/dbraw/zinc/80/58/51/395805851.db2.gz QGYGCYSCWLCAAK-CQSZACIVSA-N 0 0 318.377 0.277 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)CCCOC)CC1 ZINC000111341074 395807614 /nfs/dbraw/zinc/80/76/14/395807614.db2.gz AAHGRQQVWFEFDM-UHFFFAOYSA-N 0 0 316.427 0.844 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111359751 395808401 /nfs/dbraw/zinc/80/84/01/395808401.db2.gz ZGCDYVXQEKIAMN-CYBMUJFWSA-N 0 0 301.412 0.960 10 0 DCAERN Cc1nnc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000111426011 395808955 /nfs/dbraw/zinc/80/89/55/395808955.db2.gz GUKYVGVUNKWYMI-JTQLQIEISA-N 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OJWYBXDIPUOWHZ-QWRGUYRKSA-N 0 0 316.427 0.671 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112747406 395824213 /nfs/dbraw/zinc/82/42/13/395824213.db2.gz UHOLXMNZTPFYBW-JTQLQIEISA-N 0 0 308.386 0.054 10 0 DCAERN CC(=O)CSCC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000195361263 395825354 /nfs/dbraw/zinc/82/53/54/395825354.db2.gz BBPMRWLUZWHQRY-LBPRGKRZSA-N 0 0 308.407 0.884 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCc1cn(C)nc1C(F)(F)F ZINC000195430185 395826863 /nfs/dbraw/zinc/82/68/63/395826863.db2.gz NUOXNUPNRQMGKV-ZETCQYMHSA-N 0 0 315.317 0.893 10 0 DCAERN NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCCOC2)cc1 ZINC000113195983 395828386 /nfs/dbraw/zinc/82/83/86/395828386.db2.gz MDRGAXFDAPGSRJ-GFCCVEGCSA-N 0 0 312.391 0.562 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000195480303 395828996 /nfs/dbraw/zinc/82/89/96/395828996.db2.gz ZFPSWRFPHYSDFX-SNVBAGLBSA-N 0 0 309.395 0.152 10 0 DCAERN Cc1ccccc1[C@H](C)NC(=O)NCCN1C(=O)CNC1=O ZINC000113402881 395829666 /nfs/dbraw/zinc/82/96/66/395829666.db2.gz XIAKMIKPAKLODT-NSHDSACASA-N 0 0 304.350 0.907 10 0 DCAERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000049372010 395831276 /nfs/dbraw/zinc/83/12/76/395831276.db2.gz MJHOWKMAVHHWDX-ZJUUUORDSA-N 0 0 300.380 0.936 10 0 DCAERN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000118115813 395859755 /nfs/dbraw/zinc/85/97/55/395859755.db2.gz BRMMNHBAKBXODG-CQSZACIVSA-N 0 0 319.405 0.997 10 0 DCAERN Cc1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000114183734 395832852 /nfs/dbraw/zinc/83/28/52/395832852.db2.gz NWDKWIYGTGUUMI-UHFFFAOYSA-N 0 0 304.394 0.371 10 0 DCAERN CC(C)(C)n1nc(C(N)=O)cc1-c1ccnc(S(C)(=O)=O)n1 ZINC000205742676 395834913 /nfs/dbraw/zinc/83/49/13/395834913.db2.gz ZNBAGRUNWMRCJS-UHFFFAOYSA-N 0 0 323.378 0.598 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc2n[nH]nc2c1 ZINC000115164220 395838346 /nfs/dbraw/zinc/83/83/46/395838346.db2.gz HQYWTRBOWSIRIQ-LBPRGKRZSA-N 0 0 301.350 0.551 10 0 DCAERN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000116465458 395843620 /nfs/dbraw/zinc/84/36/20/395843620.db2.gz OOCFNYQRKSKTRO-JSGCOSHPSA-N 0 0 306.362 0.760 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](C(N)=O)C3)cc21 ZINC000116740681 395844693 /nfs/dbraw/zinc/84/46/93/395844693.db2.gz MEABDJSPWLEIEM-ZDUSSCGKSA-N 0 0 305.309 0.942 10 0 DCAERN COCC[S@](=O)Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000116682981 395844878 /nfs/dbraw/zinc/84/48/78/395844878.db2.gz SSLIOQAJUCMHMJ-VERVWZFWSA-N 0 0 324.402 0.656 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000118115338 395860718 /nfs/dbraw/zinc/86/07/18/395860718.db2.gz ZMMKWFLMULURMW-GFCCVEGCSA-N 0 0 313.304 0.350 10 0 DCAERN CCCc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116831268 395846939 /nfs/dbraw/zinc/84/69/39/395846939.db2.gz LDPXNEWRCOHEAH-SNVBAGLBSA-N 0 0 300.384 0.126 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000116832774 395847106 /nfs/dbraw/zinc/84/71/06/395847106.db2.gz FJCMIUALQQJHEJ-SECBINFHSA-N 0 0 312.395 0.052 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000116944143 395849637 /nfs/dbraw/zinc/84/96/37/395849637.db2.gz WDKGZYPMNGSVKE-WDEREUQCSA-N 0 0 315.395 0.982 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCC[C@](O)(C(N)=O)C2)cc1F ZINC000225480321 395860899 /nfs/dbraw/zinc/86/08/99/395860899.db2.gz FNULQHYQSSJEEO-MRXNPFEDSA-N 0 0 323.368 0.063 10 0 DCAERN NC(=O)Cc1cnc(-n2cccn2)n(C2CCCCC2)c1=O ZINC000222930278 395853337 /nfs/dbraw/zinc/85/33/37/395853337.db2.gz WCGZPGTZRFUUKI-UHFFFAOYSA-N 0 0 301.350 0.962 10 0 DCAERN COc1ccnc(N2CCN(c3cncc4ncnn43)CC2)n1 ZINC000271280695 395854100 /nfs/dbraw/zinc/85/41/00/395854100.db2.gz NWWNLTHTMTXDAP-UHFFFAOYSA-N 0 0 312.337 0.250 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NCCn1cc(C)cn1 ZINC000117811522 395855374 /nfs/dbraw/zinc/85/53/74/395855374.db2.gz HUVKNVFLQDJQCH-UHFFFAOYSA-N 0 0 301.412 0.913 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCn2cc(C)cn2)cc1 ZINC000117927514 395856670 /nfs/dbraw/zinc/85/66/70/395856670.db2.gz DAIKDVPBQDQIAQ-UHFFFAOYSA-N 0 0 323.374 0.957 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCOC2)cc1 ZINC000194429317 395796431 /nfs/dbraw/zinc/79/64/31/395796431.db2.gz UTWPNIGCVIGKHO-LBPRGKRZSA-N 0 0 306.362 0.968 10 0 DCAERN O=S(=O)(Cc1ccon1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000123035050 395891023 /nfs/dbraw/zinc/89/10/23/395891023.db2.gz IAAYQZFUCCELMB-QMMMGPOBSA-N 0 0 300.258 0.504 10 0 DCAERN COC[C@@H](CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000234880214 395891542 /nfs/dbraw/zinc/89/15/42/395891542.db2.gz QBZOGIUGXGQZRH-MRVPVSSYSA-N 0 0 319.770 0.273 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCCc1cc2ccccc2o1 ZINC000123680275 395896465 /nfs/dbraw/zinc/89/64/65/395896465.db2.gz VWOUHSYWVFGAPG-UHFFFAOYSA-N 0 0 301.302 0.643 10 0 DCAERN NC(=O)c1ccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cn1 ZINC000123829922 395897559 /nfs/dbraw/zinc/89/75/59/395897559.db2.gz KOFVREYBTYDGHZ-LBPRGKRZSA-N 0 0 315.333 0.808 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245470556 395930148 /nfs/dbraw/zinc/93/01/48/395930148.db2.gz WNTVZPFZBRHCRU-KBPBESRZSA-N 0 0 319.409 0.282 10 0 DCAERN O=C1NCCC[C@@H]1Nc1ncc(I)cn1 ZINC000127933163 395916447 /nfs/dbraw/zinc/91/64/47/395916447.db2.gz MPGLYRICMMQYPA-ZETCQYMHSA-N 0 0 318.118 0.772 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1COCCN1 ZINC000238132444 395922257 /nfs/dbraw/zinc/92/22/57/395922257.db2.gz ARJIFGZHEOLPBD-KGLIPLIRSA-N 0 0 303.362 0.287 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)NCCCn2ccnn2)c1 ZINC000130786357 395923460 /nfs/dbraw/zinc/92/34/60/395923460.db2.gz DWKBWBOUHOXLBH-UHFFFAOYSA-N 0 0 315.377 0.831 10 0 DCAERN Cc1nc(CNC(=O)CCn2nnc3ccccc3c2=O)no1 ZINC000118647643 395862933 /nfs/dbraw/zinc/86/29/33/395862933.db2.gz IFPSEQCGCZIEOF-UHFFFAOYSA-N 0 0 314.305 0.189 10 0 DCAERN CNC(=O)c1cccc(Nc2ncnc(NCCCO)n2)c1 ZINC000118714597 395863747 /nfs/dbraw/zinc/86/37/47/395863747.db2.gz FASNWWDAUQHYAQ-UHFFFAOYSA-N 0 0 302.338 0.769 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000226354961 395864857 /nfs/dbraw/zinc/86/48/57/395864857.db2.gz DNSUGJFAQQFMRH-GRYCIOLGSA-N 0 0 304.412 0.704 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CC[C@@H](O)C2)[C@@H]1c1ccc(F)cc1 ZINC000118995261 395866008 /nfs/dbraw/zinc/86/60/08/395866008.db2.gz PWXXISJHHJRQRX-NFAWXSAZSA-N 0 0 306.337 0.938 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C[C@@H](C)CS(C)(=O)=O ZINC000119158378 395867828 /nfs/dbraw/zinc/86/78/28/395867828.db2.gz UAPHIOJDYMKMGW-OLZOCXBDSA-N 0 0 304.456 1.000 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(C(N)=O)o1 ZINC000119270480 395868838 /nfs/dbraw/zinc/86/88/38/395868838.db2.gz RARBGVJYQBONCY-LLVKDONJSA-N 0 0 324.381 0.873 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119437240 395870419 /nfs/dbraw/zinc/87/04/19/395870419.db2.gz REGXJTQODOMDNS-GFCCVEGCSA-N 0 0 316.317 0.996 10 0 DCAERN COCC[C@](C)(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000228063547 395870507 /nfs/dbraw/zinc/87/05/07/395870507.db2.gz JMYDBMVKFVDIGR-JTQLQIEISA-N 0 0 311.791 0.139 10 0 DCAERN Cc1noc(CCNC(=O)c2nc3nc(C)cc(C)n3n2)n1 ZINC000119677014 395873756 /nfs/dbraw/zinc/87/37/56/395873756.db2.gz DVCNMQKCSBGTOA-UHFFFAOYSA-N 0 0 301.310 0.405 10 0 DCAERN COC(=O)[C@](C)(NC(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1 ZINC000119798252 395875939 /nfs/dbraw/zinc/87/59/39/395875939.db2.gz MJWVBGGYIFOJCT-RFAUZJTJSA-N 0 0 308.334 0.856 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)[C@H]1CCNC(=O)C1 ZINC000119849036 395877560 /nfs/dbraw/zinc/87/75/60/395877560.db2.gz NJLWKUGNOUFKAX-NSHDSACASA-N 0 0 305.382 0.189 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)c1Cl ZINC000230149584 395878749 /nfs/dbraw/zinc/87/87/49/395878749.db2.gz PJFFVZUSZCYSAV-BDAKNGLRSA-N 0 0 307.803 0.903 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c1Cl ZINC000230149587 395878881 /nfs/dbraw/zinc/87/88/81/395878881.db2.gz PJFFVZUSZCYSAV-DTWKUNHWSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000230170016 395878887 /nfs/dbraw/zinc/87/88/87/395878887.db2.gz OITAQCZCGQTOCD-GRYCIOLGSA-N 0 0 303.428 0.454 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C)CO)c2)no1 ZINC000120053975 395880675 /nfs/dbraw/zinc/88/06/75/395880675.db2.gz VBKBBQGYGAGYFD-MRVPVSSYSA-N 0 0 304.306 0.481 10 0 DCAERN CCc1ccc(C(=O)CCC(=O)NCCS(N)(=O)=O)cc1 ZINC000056850431 395933671 /nfs/dbraw/zinc/93/36/71/395933671.db2.gz GSEUFBIZSYVVMI-UHFFFAOYSA-N 0 0 312.391 0.617 10 0 DCAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)CN1CC(=O)NC1=O)CCC2 ZINC000134911435 395935756 /nfs/dbraw/zinc/93/57/56/395935756.db2.gz MOPBDHBQPTYHLK-JTQLQIEISA-N 0 0 322.390 0.839 10 0 DCAERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000245981597 395938868 /nfs/dbraw/zinc/93/88/68/395938868.db2.gz PLNFMELSTFCHTH-RWMBFGLXSA-N 0 0 307.398 0.785 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN([C@H](C)CN3CCOCC3)CCO2)n1 ZINC000245983992 395939214 /nfs/dbraw/zinc/93/92/14/395939214.db2.gz HDZBVVHMWVMATN-IAGOWNOFSA-N 0 0 322.453 0.921 10 0 DCAERN CN(C(=O)c1cnn(C)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136364983 395945988 /nfs/dbraw/zinc/94/59/88/395945988.db2.gz DGLACAUDMGVQJW-CYBMUJFWSA-N 0 0 300.366 0.951 10 0 DCAERN CCO[C@@H]1C[C@@H](Nc2ccc(C(N)=O)nn2)C12CCOCC2 ZINC000274446651 395949004 /nfs/dbraw/zinc/94/90/04/395949004.db2.gz GFMSAAXYSSJEDP-VXGBXAGGSA-N 0 0 306.366 0.962 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000246420590 395950014 /nfs/dbraw/zinc/95/00/14/395950014.db2.gz ALTWWUXXWSZRLU-SUNKGSAMSA-N 0 0 318.373 0.639 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H](C)COC)C[C@@H]1C ZINC000246629684 395954252 /nfs/dbraw/zinc/95/42/52/395954252.db2.gz CMTPXZZCAHHKHB-QWHCGFSZSA-N 0 0 308.444 0.394 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C[C@H](C)CS(C)(=O)=O ZINC000246635887 395955026 /nfs/dbraw/zinc/95/50/26/395955026.db2.gz UAPHIOJDYMKMGW-QWHCGFSZSA-N 0 0 304.456 1.000 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246801919 395957782 /nfs/dbraw/zinc/95/77/82/395957782.db2.gz RGNKXMPFLMVFLC-MELADBBJSA-N 0 0 302.415 0.342 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000246833972 395958791 /nfs/dbraw/zinc/95/87/91/395958791.db2.gz CAVPCANTOCLIMJ-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCCC[C@H]3C)CCO2)[nH]1 ZINC000246925909 395961133 /nfs/dbraw/zinc/96/11/33/395961133.db2.gz JEBYJMCGFOQNSK-DGCLKSJQSA-N 0 0 307.398 0.887 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000060636879 395963744 /nfs/dbraw/zinc/96/37/44/395963744.db2.gz SEIRJPWMXKHFGJ-ZDUSSCGKSA-N 0 0 301.306 0.579 10 0 DCAERN COCCN1CCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C[C@H]1C ZINC000247052270 395964841 /nfs/dbraw/zinc/96/48/41/395964841.db2.gz JQNXSVFQFVZKJW-QLFBSQMISA-N 0 0 314.426 0.750 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247080579 395965283 /nfs/dbraw/zinc/96/52/83/395965283.db2.gz HTZQMZVDWRRREB-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247240536 395969562 /nfs/dbraw/zinc/96/95/62/395969562.db2.gz SHVFLWYERMFXLN-QWHCGFSZSA-N 0 0 314.430 0.263 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)N1CCOCC1 ZINC000247258483 395970594 /nfs/dbraw/zinc/97/05/94/395970594.db2.gz WSWKQEJTBZVLBY-DAXOMENPSA-N 0 0 319.405 0.665 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000150824649 395973452 /nfs/dbraw/zinc/97/34/52/395973452.db2.gz MYMBNPAMIMQFIB-GFCCVEGCSA-N 0 0 321.299 0.941 10 0 DCAERN CC1(C)CCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000063074630 395974503 /nfs/dbraw/zinc/97/45/03/395974503.db2.gz GDNKHMNYWICDRV-UHFFFAOYSA-N 0 0 318.420 0.897 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151323524 395983933 /nfs/dbraw/zinc/98/39/33/395983933.db2.gz PWDYOOXSSGTRAK-YOEHRIQHSA-N 0 0 317.389 0.965 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275326828 395984380 /nfs/dbraw/zinc/98/43/80/395984380.db2.gz QNSFYKXOFABSIV-VXGBXAGGSA-N 0 0 303.366 0.939 10 0 DCAERN O=C(Cn1cc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cn1)N1CCOCC1 ZINC000248334910 395984532 /nfs/dbraw/zinc/98/45/32/395984532.db2.gz GIOLVYYNXYCDNK-NHAGDIPZSA-N 0 0 318.377 0.727 10 0 DCAERN CNC(=O)[C@H]1CN([C@H]2CCN(c3ccc(C)cc3)C2=O)CCO1 ZINC000248458262 395988123 /nfs/dbraw/zinc/98/81/23/395988123.db2.gz UOWFDEQNKGGJIS-LSDHHAIUSA-N 0 0 317.389 0.547 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000249046203 396001686 /nfs/dbraw/zinc/00/16/86/396001686.db2.gz VYDMRVXHLILERZ-ZDUSSCGKSA-N 0 0 304.412 0.454 10 0 DCAERN CCCS(=O)(=O)CC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000151774041 395991977 /nfs/dbraw/zinc/99/19/77/395991977.db2.gz YIJRSUXYNWHDJU-UHFFFAOYSA-N 0 0 309.351 0.426 10 0 DCAERN Cc1cc(=O)[nH]c(CNc2nccc(N3CCC[C@H](O)C3)n2)n1 ZINC000065382983 395993382 /nfs/dbraw/zinc/99/33/82/395993382.db2.gz YCAGVXICOWAQID-NSHDSACASA-N 0 0 316.365 0.442 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1Cc2cc(F)ccc2O1 ZINC000151893502 395995731 /nfs/dbraw/zinc/99/57/31/395995731.db2.gz VJSCOXFGBZLBGQ-WCQYABFASA-N 0 0 302.309 0.852 10 0 DCAERN C[C@H](O)C[N@@H+]1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1C ZINC000252734761 396024231 /nfs/dbraw/zinc/02/42/31/396024231.db2.gz DQGMOQLOCNGLLU-CABCVRRESA-N 0 0 321.421 0.621 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CC=C(c2cccs2)CC1 ZINC000153827982 396026155 /nfs/dbraw/zinc/02/61/55/396026155.db2.gz RRQFOOALBOSEBI-UHFFFAOYSA-N 0 0 321.402 0.568 10 0 DCAERN O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)CCC1CCOCC1 ZINC000253429326 396028664 /nfs/dbraw/zinc/02/86/64/396028664.db2.gz CNDWYFNUPRNTCZ-CHWSQXEVSA-N 0 0 316.423 0.343 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCCSCC2)C1 ZINC000067628144 396029957 /nfs/dbraw/zinc/02/99/57/396029957.db2.gz AMTVPGUXJHGNFD-NSHDSACASA-N 0 0 321.468 0.559 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000154115387 396031237 /nfs/dbraw/zinc/03/12/37/396031237.db2.gz GTGLPKZUYJNQOU-LLVKDONJSA-N 0 0 314.769 0.469 10 0 DCAERN CCOc1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154110096 396031593 /nfs/dbraw/zinc/03/15/93/396031593.db2.gz ZPFKEOLRWQDZDP-CYBMUJFWSA-N 0 0 308.378 0.508 10 0 DCAERN COC[C@@H]1CN(c2ccncn2)C[C@H]1C(=O)N1CCOCC1 ZINC000257185977 396034480 /nfs/dbraw/zinc/03/44/80/396034480.db2.gz JZSIUNQQRMPZTM-QWHCGFSZSA-N 0 0 306.366 0.034 10 0 DCAERN CC(C)(CNC(=O)CNC(=O)c1cccnc1)N1CCOCC1 ZINC000154789171 396041981 /nfs/dbraw/zinc/04/19/81/396041981.db2.gz RAKKIAGUWNDREP-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN CCNC(=O)CN1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000154816014 396043116 /nfs/dbraw/zinc/04/31/16/396043116.db2.gz KDYFWSAVUWRANN-UHFFFAOYSA-N 0 0 306.414 0.175 10 0 DCAERN CC[C@@H](NC(=O)[C@H](C)C1CCOCC1)C(=O)N1CCOCC1 ZINC000155600808 396054779 /nfs/dbraw/zinc/05/47/79/396054779.db2.gz PHWLTICRLHPFKX-TZMCWYRMSA-N 0 0 312.410 0.803 10 0 DCAERN O=C(CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)N1CCCC1 ZINC000158045282 396064218 /nfs/dbraw/zinc/06/42/18/396064218.db2.gz VJBOWKYELDNDBF-BBRMVZONSA-N 0 0 309.410 0.945 10 0 DCAERN COc1ccnc(N2CCN(Cc3noc(CN)n3)CC2)c1 ZINC000261810182 396067664 /nfs/dbraw/zinc/06/76/64/396067664.db2.gz RMWSQLQQXVZYJN-UHFFFAOYSA-N 0 0 304.354 0.254 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000152193618 396002632 /nfs/dbraw/zinc/00/26/32/396002632.db2.gz GRYYOBBIMWTAIR-YGRLFVJLSA-N 0 0 323.418 0.862 10 0 DCAERN O=C(CCCOc1ccccc1F)N[C@@H]1CCC(=O)NC1=O ZINC000152187198 396003016 /nfs/dbraw/zinc/00/30/16/396003016.db2.gz AYEFVDDLKWWHDJ-LLVKDONJSA-N 0 0 308.309 0.906 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000276509491 396005713 /nfs/dbraw/zinc/00/57/13/396005713.db2.gz WBSWSQYRUVYGRG-UONOGXRCSA-N 0 0 303.362 0.944 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000152405301 396008327 /nfs/dbraw/zinc/00/83/27/396008327.db2.gz YOQZQSNDHSCVRJ-SNVBAGLBSA-N 0 0 302.338 0.552 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H]2CCc3nccn3C2)CCC1=O ZINC000276571444 396010830 /nfs/dbraw/zinc/01/08/30/396010830.db2.gz GWYWYMAOKLEXEW-RYUDHWBXSA-N 0 0 305.382 0.366 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000163685286 396086775 /nfs/dbraw/zinc/08/67/75/396086775.db2.gz AXOYBLLQXUUIDM-TZMCWYRMSA-N 0 0 318.373 0.755 10 0 DCAERN Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3nnnn3C)C2)n1 ZINC000169785306 396092817 /nfs/dbraw/zinc/09/28/17/396092817.db2.gz HPWAZUKFYSBLJR-CYBMUJFWSA-N 0 0 317.397 0.820 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000170857482 396098571 /nfs/dbraw/zinc/09/85/71/396098571.db2.gz GRMTZCFMGSSUEV-ZDUSSCGKSA-N 0 0 312.391 0.726 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000170924215 396101403 /nfs/dbraw/zinc/10/14/03/396101403.db2.gz YJBAKVLCVSPELB-KGLIPLIRSA-N 0 0 307.398 0.597 10 0 DCAERN O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCCOC1 ZINC000170937021 396102372 /nfs/dbraw/zinc/10/23/72/396102372.db2.gz YXKKPZZPEHZCHK-LBPRGKRZSA-N 0 0 312.391 0.650 10 0 DCAERN CCn1c2ccc(C(=O)N[C@@H]3CCCOC3)cc2[nH]c(=O)c1=O ZINC000170937195 396102416 /nfs/dbraw/zinc/10/24/16/396102416.db2.gz BPEPQRJIERAMJC-LLVKDONJSA-N 0 0 317.345 0.619 10 0 DCAERN COC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000170970639 396102574 /nfs/dbraw/zinc/10/25/74/396102574.db2.gz PGANDUPKIGNFDU-UHFFFAOYSA-N 0 0 314.407 0.815 10 0 DCAERN COCCNC(=O)CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000071057782 396109257 /nfs/dbraw/zinc/10/92/57/396109257.db2.gz DGYDTQKQYVRLOQ-UHFFFAOYSA-N 0 0 324.425 0.577 10 0 DCAERN C[C@@H](CNC(=O)NCCCc1cnn(C)c1)N1CCOCC1 ZINC000171331311 396114586 /nfs/dbraw/zinc/11/45/86/396114586.db2.gz ZNCFBWIRXLCLDS-ZDUSSCGKSA-N 0 0 309.414 0.373 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000171351680 396115216 /nfs/dbraw/zinc/11/52/16/396115216.db2.gz JVIRHWHJRLLVEV-OCCSQVGLSA-N 0 0 304.346 0.910 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCN(c2cccnn2)CC1 ZINC000171351300 396115307 /nfs/dbraw/zinc/11/53/07/396115307.db2.gz CWJPURITBZVEPQ-JTQLQIEISA-N 0 0 317.315 0.666 10 0 DCAERN CCOc1nnc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)s1 ZINC000071864583 396119374 /nfs/dbraw/zinc/11/93/74/396119374.db2.gz DKNCBXOIWBIRLK-GHMZBOCLSA-N 0 0 300.428 0.824 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H](O)C3)C2)n(C)n1 ZINC000278368752 396120998 /nfs/dbraw/zinc/12/09/98/396120998.db2.gz KJEFJDUHJVGEFT-UONOGXRCSA-N 0 0 321.425 0.864 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)n(C)n1 ZINC000278454820 396125785 /nfs/dbraw/zinc/12/57/85/396125785.db2.gz RGCXDBBZTTUFCL-KGLIPLIRSA-N 0 0 321.425 0.144 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3cncc(O)c3)CCO2)c1 ZINC000171845661 396126049 /nfs/dbraw/zinc/12/60/49/396126049.db2.gz GRCWCDCTQJQFFP-CQSZACIVSA-N 0 0 302.334 0.833 10 0 DCAERN CCC[C@@H]1CNCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000262378927 396132347 /nfs/dbraw/zinc/13/23/47/396132347.db2.gz XNMOBROGIHUPMQ-SECBINFHSA-N 0 0 306.819 0.836 10 0 DCAERN O=C(c1ccc2nccn2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172768585 396132924 /nfs/dbraw/zinc/13/29/24/396132924.db2.gz QVJCKELHJUZIGW-CQSZACIVSA-N 0 0 300.362 0.881 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)N3CCOCC3)CC2)no1 ZINC000173282677 396134843 /nfs/dbraw/zinc/13/48/43/396134843.db2.gz NCNMHRAINKVILF-UHFFFAOYSA-N 0 0 309.370 0.338 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000072708994 396134932 /nfs/dbraw/zinc/13/49/32/396134932.db2.gz KSATXQVDCBIIIC-UHFFFAOYSA-N 0 0 305.444 0.763 10 0 DCAERN O=S1(=O)CCN(Cc2noc(Cc3ccccc3)n2)CC1 ZINC000069251836 396074284 /nfs/dbraw/zinc/07/42/84/396074284.db2.gz CPVVBLOKJXWBIU-UHFFFAOYSA-N 0 0 307.375 0.891 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)CCn1ccnn1 ZINC000261917805 396079648 /nfs/dbraw/zinc/07/96/48/396079648.db2.gz IHCKUXYVNPKNCE-AWEZNQCLSA-N 0 0 315.377 0.850 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3ccnn3C)CCO2)o1 ZINC000162811372 396084277 /nfs/dbraw/zinc/08/42/77/396084277.db2.gz ZNMQGERMJKRPMU-GFCCVEGCSA-N 0 0 318.333 0.860 10 0 DCAERN O=C(NCCNC(=O)[C@H]1CC(F)(F)CN1)NC1CCCCC1 ZINC000263190751 396205212 /nfs/dbraw/zinc/20/52/12/396205212.db2.gz HVXYSKMVQAOHAI-LLVKDONJSA-N 0 0 318.368 0.732 10 0 DCAERN CCC(CC)[C@@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178740538 396207074 /nfs/dbraw/zinc/20/70/74/396207074.db2.gz SXBOQSAHGKRISA-ZDUSSCGKSA-N 0 0 314.407 0.861 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000076611980 396207262 /nfs/dbraw/zinc/20/72/62/396207262.db2.gz MZWSOQWFNRASGT-ZDUSSCGKSA-N 0 0 310.375 0.782 10 0 DCAERN c1cnn(Cc2noc(CSc3nnnn3C3CC3)n2)c1 ZINC000073343316 396145211 /nfs/dbraw/zinc/14/52/11/396145211.db2.gz RGTMAOVHKUDCDW-UHFFFAOYSA-N 0 0 304.339 0.928 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)NCCS(C)(=O)=O ZINC000176027728 396148969 /nfs/dbraw/zinc/14/89/69/396148969.db2.gz PDHGOTPFNASLLS-LBPRGKRZSA-N 0 0 314.407 0.936 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCN(C)C1=O ZINC000176290381 396153761 /nfs/dbraw/zinc/15/37/61/396153761.db2.gz JBXMEHOSSYALMC-STQMWFEESA-N 0 0 305.382 0.596 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000176285930 396153852 /nfs/dbraw/zinc/15/38/52/396153852.db2.gz LAVBRXUZYHBSTH-SKDRFNHKSA-N 0 0 317.349 0.949 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ncsc2c1 ZINC000176438785 396155902 /nfs/dbraw/zinc/15/59/02/396155902.db2.gz PNLUWSQGTGOHIV-GFCCVEGCSA-N 0 0 321.402 0.719 10 0 DCAERN Cn1c(=O)cc(CN2CCO[C@H](c3ccsc3)C2)n(C)c1=O ZINC000176987996 396163493 /nfs/dbraw/zinc/16/34/93/396163493.db2.gz OSWXFXCJZWNLSF-ZDUSSCGKSA-N 0 0 321.402 0.719 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)s1 ZINC000176920565 396163748 /nfs/dbraw/zinc/16/37/48/396163748.db2.gz FPADYRXQTAEAMG-VIFPVBQESA-N 0 0 313.408 0.645 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263306786 396212973 /nfs/dbraw/zinc/21/29/73/396212973.db2.gz XZFCLQHTAMMLHF-NSHDSACASA-N 0 0 303.353 0.701 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccncc2)C[C@H]1N1CCOCC1 ZINC000177298238 396170823 /nfs/dbraw/zinc/17/08/23/396170823.db2.gz IHDWKKLZXYOBFL-DZGCQCFKSA-N 0 0 304.394 0.944 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)cn1 ZINC000177614232 396179738 /nfs/dbraw/zinc/17/97/38/396179738.db2.gz UOTPWDNVIANMEA-YPMHNXCESA-N 0 0 317.393 0.682 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177635466 396180551 /nfs/dbraw/zinc/18/05/51/396180551.db2.gz FCQXAAFKYUNOAK-SNVBAGLBSA-N 0 0 317.324 0.795 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1)[C@H](C)CO ZINC000177789833 396183738 /nfs/dbraw/zinc/18/37/38/396183738.db2.gz BJHHQJOLHXPHGM-VXGBXAGGSA-N 0 0 320.393 0.753 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000075657167 396184126 /nfs/dbraw/zinc/18/41/26/396184126.db2.gz NGEZYOXBXDQWJF-VXGBXAGGSA-N 0 0 303.428 0.658 10 0 DCAERN CN(Cc1ncnn1C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000279835980 396187323 /nfs/dbraw/zinc/18/73/23/396187323.db2.gz ZLVOFSWBHXRXMA-STQMWFEESA-N 0 0 321.404 0.593 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)Nc3nncs3)CCO2)[nH]1 ZINC000178012534 396187489 /nfs/dbraw/zinc/18/74/89/396187489.db2.gz SLIBBNKCBUPYNG-SSDOTTSWSA-N 0 0 309.355 0.824 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cc(C)no3)CCO2)[nH]1 ZINC000178034073 396188529 /nfs/dbraw/zinc/18/85/29/396188529.db2.gz USRWWVURHIEDKN-NSHDSACASA-N 0 0 320.353 0.947 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCCn3cccn3)CCO2)[nH]1 ZINC000178132831 396189487 /nfs/dbraw/zinc/18/94/87/396189487.db2.gz JMUNCIIAIDTFDI-LLVKDONJSA-N 0 0 319.369 0.347 10 0 DCAERN O=C1NCC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000178204462 396190823 /nfs/dbraw/zinc/19/08/23/396190823.db2.gz YXOPJBBQRWXIKC-ZDUSSCGKSA-N 0 0 307.781 0.873 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3C[C@H]3C)CC2)no1 ZINC000075982306 396190996 /nfs/dbraw/zinc/19/09/96/396190996.db2.gz NNXNOTXEVRRPOZ-PWSUYJOCSA-N 0 0 321.381 0.657 10 0 DCAERN CCOC(=O)CN(Cc1cc(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000178212279 396191861 /nfs/dbraw/zinc/19/18/61/396191861.db2.gz SFDOOURBRJGZRB-UHFFFAOYSA-N 0 0 311.382 0.248 10 0 DCAERN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H]1CCNC1=O ZINC000178282433 396192911 /nfs/dbraw/zinc/19/29/11/396192911.db2.gz QNSCGYAGXZTTIO-AWEZNQCLSA-N 0 0 318.377 0.794 10 0 DCAERN CC[C@@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000076071909 396195834 /nfs/dbraw/zinc/19/58/34/396195834.db2.gz QTBHULSRXHATLN-WCQYABFASA-N 0 0 313.467 0.939 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000076203124 396198434 /nfs/dbraw/zinc/19/84/34/396198434.db2.gz OKEYQJQVUXADAO-JTQLQIEISA-N 0 0 323.422 0.195 10 0 DCAERN Cn1cnn(-c2ccc(NC(=O)[C@@H]3CC(F)(F)CN3)cc2)c1=O ZINC000263157081 396203345 /nfs/dbraw/zinc/20/33/45/396203345.db2.gz DNIHFGHZCLJNBT-NSHDSACASA-N 0 0 323.303 0.507 10 0 DCAERN CCc1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n[nH]1 ZINC000076427845 396203981 /nfs/dbraw/zinc/20/39/81/396203981.db2.gz FOGITDNEVOYMNM-JTQLQIEISA-N 0 0 300.384 0.725 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000180984692 396236155 /nfs/dbraw/zinc/23/61/55/396236155.db2.gz FNBYWGJORUVENY-QWHCGFSZSA-N 0 0 323.397 0.127 10 0 DCAERN Cc1nn(C)c(C)c1CCCNS(=O)(=O)C[C@H]1CCOC1 ZINC000181501825 396239803 /nfs/dbraw/zinc/23/98/03/396239803.db2.gz FPUULCXCOFTOGI-ZDUSSCGKSA-N 0 0 315.439 0.925 10 0 DCAERN COc1ccc(C)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181774998 396242058 /nfs/dbraw/zinc/24/20/58/396242058.db2.gz VQESXYRQQIWDGI-UHFFFAOYSA-N 0 0 317.349 0.740 10 0 DCAERN CCOc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181788313 396242389 /nfs/dbraw/zinc/24/23/89/396242389.db2.gz NMBNEFKRZOMUHV-UHFFFAOYSA-N 0 0 317.349 0.822 10 0 DCAERN CN(C)c1nc(CN[C@H](CC(N)=O)C2CCOCC2)ns1 ZINC000181932042 396243887 /nfs/dbraw/zinc/24/38/87/396243887.db2.gz USXRAKUZVWWTAS-SNVBAGLBSA-N 0 0 313.427 0.364 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000281839326 396244233 /nfs/dbraw/zinc/24/42/33/396244233.db2.gz ANANBGFDMKNZKN-UHFFFAOYSA-N 0 0 310.375 0.521 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(CCC(=O)OC)C[C@@H]1C ZINC000182116575 396247017 /nfs/dbraw/zinc/24/70/17/396247017.db2.gz YLIKQVNBGPMEHV-ZDUSSCGKSA-N 0 0 313.442 0.860 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)CS(C)(=O)=O ZINC000182219323 396247500 /nfs/dbraw/zinc/24/75/00/396247500.db2.gz TZJGHDBJUUOOPS-SNVBAGLBSA-N 0 0 315.439 0.766 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@](C)=O)CCN1CCOC ZINC000182601464 396251801 /nfs/dbraw/zinc/25/18/01/396251801.db2.gz BHNALXWEOMVVFV-QRQYBIJMSA-N 0 0 319.471 0.506 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c12 ZINC000282338450 396282209 /nfs/dbraw/zinc/28/22/09/396282209.db2.gz KWFPSMTWCQSDOT-SECBINFHSA-N 0 0 301.350 0.877 10 0 DCAERN COc1n[nH]c(NC(=O)c2cc(Cn3cc(C)cn3)on2)n1 ZINC000182982418 396258264 /nfs/dbraw/zinc/25/82/64/396258264.db2.gz NBKRBUKXKIIRBJ-UHFFFAOYSA-N 0 0 303.282 0.607 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000183146196 396263077 /nfs/dbraw/zinc/26/30/77/396263077.db2.gz MWURLIONZRHSIL-KBPBESRZSA-N 0 0 307.398 0.992 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000264219922 396263020 /nfs/dbraw/zinc/26/30/20/396263020.db2.gz UFWZIFFIGBYWAJ-NSHDSACASA-N 0 0 303.318 0.368 10 0 DCAERN Cc1cc2ncc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c(C)n2n1 ZINC000282117667 396264339 /nfs/dbraw/zinc/26/43/39/396264339.db2.gz GFKVEDCLHDLVOD-SNVBAGLBSA-N 0 0 301.350 0.649 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000282145881 396266613 /nfs/dbraw/zinc/26/66/13/396266613.db2.gz HZUWJHHBJHIMGL-JSGCOSHPSA-N 0 0 319.409 0.972 10 0 DCAERN COc1ccc(CNC(=O)NCCCn2ccnn2)cc1O ZINC000183561870 396270828 /nfs/dbraw/zinc/27/08/28/396270828.db2.gz ZPJLQXRROJJNJT-UHFFFAOYSA-N 0 0 305.338 0.882 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000079992153 396273920 /nfs/dbraw/zinc/27/39/20/396273920.db2.gz ODPYQCHRANZBKI-TZMCWYRMSA-N 0 0 301.408 0.840 10 0 DCAERN O=C(CNC(=O)N1CCC(n2ccnc2)CC1)NCC1CC1 ZINC000183776093 396274579 /nfs/dbraw/zinc/27/45/79/396274579.db2.gz BRLXTEOGVFOISH-UHFFFAOYSA-N 0 0 305.382 0.756 10 0 DCAERN CN1CCN(C(=O)CN2CCCN(c3ccccn3)CC2)CC1 ZINC000183850968 396276520 /nfs/dbraw/zinc/27/65/20/396276520.db2.gz ZQPBREKAQGSCCQ-UHFFFAOYSA-N 0 0 317.437 0.368 10 0 DCAERN CCS(=O)(=O)NCCN1CCCN(c2ccccn2)CC1 ZINC000183873288 396276711 /nfs/dbraw/zinc/27/67/11/396276711.db2.gz YLXQZLOVTIWSIX-UHFFFAOYSA-N 0 0 312.439 0.533 10 0 DCAERN O=C(CN1C(=O)CSc2ccccc21)NCC(F)(F)CO ZINC000183905825 396277410 /nfs/dbraw/zinc/27/74/10/396277410.db2.gz HQGIZOCKFWGEIJ-UHFFFAOYSA-N 0 0 316.329 0.869 10 0 DCAERN CCOC(=O)C1(O)CCN(c2cc(C)nc3ncnn32)CC1 ZINC000077209759 396214573 /nfs/dbraw/zinc/21/45/73/396214573.db2.gz CGBTWBZVNSVWAW-UHFFFAOYSA-N 0 0 305.338 0.327 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000178947376 396215705 /nfs/dbraw/zinc/21/57/05/396215705.db2.gz XXXWFUDEKBJWLC-LLVKDONJSA-N 0 0 314.349 0.470 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccccn2)C1 ZINC000263462014 396217117 /nfs/dbraw/zinc/21/71/17/396217117.db2.gz DXPWMYJFCGVYKF-UHFFFAOYSA-N 0 0 313.379 0.297 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179177270 396223493 /nfs/dbraw/zinc/22/34/93/396223493.db2.gz GUGPRPPXCSEVIR-NEPJUHHUSA-N 0 0 304.346 0.100 10 0 DCAERN CN(C(=O)CN1C[C@H](O)C[C@@H]1CO)[C@@H]1CCCc2ccccc21 ZINC000179182070 396223811 /nfs/dbraw/zinc/22/38/11/396223811.db2.gz IHIDIZGBQKQCDB-BFYDXBDKSA-N 0 0 318.417 0.950 10 0 DCAERN C[C@H](CNC(=O)NCc1cn2c(n1)CCCC2)N1CCOCC1 ZINC000263727626 396226539 /nfs/dbraw/zinc/22/65/39/396226539.db2.gz GHHXTYCAELYHNZ-CYBMUJFWSA-N 0 0 321.425 0.739 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(C3CC3)CC2)O1 ZINC000179714547 396229198 /nfs/dbraw/zinc/22/91/98/396229198.db2.gz GQMHKNOQJISJFE-ZIAGYGMSSA-N 0 0 324.425 0.112 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCNC(=O)[C@@H]1C ZINC000179766507 396229275 /nfs/dbraw/zinc/22/92/75/396229275.db2.gz WBUXGVYOLLBSBE-LBPRGKRZSA-N 0 0 307.398 0.499 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000077776166 396232932 /nfs/dbraw/zinc/23/29/32/396232932.db2.gz ZXXZPHVXHUYYCR-MNOVXSKESA-N 0 0 314.407 0.906 10 0 DCAERN COCCN1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1=O ZINC000185046332 396315158 /nfs/dbraw/zinc/31/51/58/396315158.db2.gz LMLINFAGJUQYFR-UHFFFAOYSA-N 0 0 319.365 0.366 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000185076983 396316723 /nfs/dbraw/zinc/31/67/23/396316723.db2.gz GXEYWEYTGAZWJA-NSHDSACASA-N 0 0 311.407 0.374 10 0 DCAERN COc1cc(-c2noc(CN3C[C@@H](O)C[C@@H]3CO)n2)ccc1C ZINC000185135662 396318980 /nfs/dbraw/zinc/31/89/80/396318980.db2.gz YVTSQNIZNBRUNE-OLZOCXBDSA-N 0 0 319.361 0.981 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185137395 396319034 /nfs/dbraw/zinc/31/90/34/396319034.db2.gz FGCFMWQPOJWDSO-UKRRQHHQSA-N 0 0 306.366 0.017 10 0 DCAERN CCOCCOCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184075002 396284168 /nfs/dbraw/zinc/28/41/68/396284168.db2.gz GWKYOODNZZPEIG-UHFFFAOYSA-N 0 0 312.391 0.976 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCn2cnnc2C1 ZINC000264497522 396285645 /nfs/dbraw/zinc/28/56/45/396285645.db2.gz XKIUHVRDAFEBTI-QWRGUYRKSA-N 0 0 323.422 0.568 10 0 DCAERN Cc1cccc(CNC(=O)c2cn(CC3(C)COC3)nn2)n1 ZINC000184385561 396293650 /nfs/dbraw/zinc/29/36/50/396293650.db2.gz HKEUBETWJADAAU-UHFFFAOYSA-N 0 0 301.350 0.948 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184397559 396294288 /nfs/dbraw/zinc/29/42/88/396294288.db2.gz IIMNFHSEWLDPMV-MRXNPFEDSA-N 0 0 322.409 0.780 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CN2CCCCCC2=O)CC1=O ZINC000081375238 396299454 /nfs/dbraw/zinc/29/94/54/396299454.db2.gz YVLRCGGENJZVFA-JHJVBQTASA-N 0 0 307.394 0.515 10 0 DCAERN CC1(CNC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)COC1 ZINC000184728208 396304009 /nfs/dbraw/zinc/30/40/09/396304009.db2.gz CZBTWNZOEIQENO-LLVKDONJSA-N 0 0 310.375 0.851 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)NCCCn1ccnn1 ZINC000184755087 396304945 /nfs/dbraw/zinc/30/49/45/396304945.db2.gz LLLZJSPLKYKZGF-ZDUSSCGKSA-N 0 0 311.386 0.553 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000184827636 396308140 /nfs/dbraw/zinc/30/81/40/396308140.db2.gz IXVUFCYCWDYMEC-ZDUSSCGKSA-N 0 0 308.444 0.301 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000081826291 396309261 /nfs/dbraw/zinc/30/92/61/396309261.db2.gz IXWTUTMUKNFPQF-DTORHVGOSA-N 0 0 316.354 0.723 10 0 DCAERN CC(=O)N1c2ccc(S(=O)(=O)N3CC(CO)C3)cc2C[C@H]1C ZINC000184900373 396310154 /nfs/dbraw/zinc/31/01/54/396310154.db2.gz QVSPDPSFUTYGDQ-SNVBAGLBSA-N 0 0 324.402 0.597 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000185414003 396327187 /nfs/dbraw/zinc/32/71/87/396327187.db2.gz JYLRHVRJTNDIIC-ZFWWWQNUSA-N 0 0 317.389 0.947 10 0 DCAERN CCCOc1cccc(CNC(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000185191360 396321217 /nfs/dbraw/zinc/32/12/17/396321217.db2.gz FRLDNDXUANMGCM-HUUCEWRRSA-N 0 0 322.405 0.519 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185224693 396322578 /nfs/dbraw/zinc/32/25/78/396322578.db2.gz CPZXLNVJUFYBRA-ZDUSSCGKSA-N 0 0 301.350 0.565 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)C1 ZINC000185275908 396324035 /nfs/dbraw/zinc/32/40/35/396324035.db2.gz HKQMXQBBQFKNHE-MEBBXXQBSA-N 0 0 304.346 0.525 10 0 DCAERN CN(C)c1noc(CN2CCN(Cc3ccncc3)CC2)n1 ZINC000185278580 396324130 /nfs/dbraw/zinc/32/41/30/396324130.db2.gz SWUBTJCRXMZEPM-UHFFFAOYSA-N 0 0 302.382 0.848 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)c2cnc3c(c2)nnn3C)n[nH]1 ZINC000185536163 396329770 /nfs/dbraw/zinc/32/97/70/396329770.db2.gz NBXAFHRNEVUIRO-UHFFFAOYSA-N 0 0 323.320 0.739 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@@](C)(O)C1)CC2 ZINC000185474920 396328705 /nfs/dbraw/zinc/32/87/05/396328705.db2.gz VZYNEJRJOSQIRN-IAQYHMDHSA-N 0 0 307.398 0.883 10 0 DCAERN CC(C)(O)c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 ZINC000185940111 396337975 /nfs/dbraw/zinc/33/79/75/396337975.db2.gz RIIROJIVYWOGRK-UHFFFAOYSA-N 0 0 305.378 0.946 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000185732676 396334159 /nfs/dbraw/zinc/33/41/59/396334159.db2.gz ZPZDAMOEABVGCY-WOPDTQHZSA-N 0 0 316.423 0.088 10 0 DCAERN Nc1nccnc1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186240240 396346287 /nfs/dbraw/zinc/34/62/87/396346287.db2.gz BFQFWHWOPGTZNX-UHFFFAOYSA-N 0 0 303.347 0.609 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186299373 396347400 /nfs/dbraw/zinc/34/74/00/396347400.db2.gz HPZFLEMSJUXYEY-NSHDSACASA-N 0 0 312.391 0.410 10 0 DCAERN O=C(CN1CCN(c2cccs2)C(=O)C1)NC1CCOCC1 ZINC000186106771 396341289 /nfs/dbraw/zinc/34/12/89/396341289.db2.gz HBZHJUOLINXYOL-UHFFFAOYSA-N 0 0 323.418 0.692 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2ccon2)C[C@H]1CC ZINC000186125131 396341934 /nfs/dbraw/zinc/34/19/34/396341934.db2.gz IKNYYLXRSRPSIN-GFCCVEGCSA-N 0 0 324.381 0.572 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCc2n[nH]nc2C1)C(=O)N1CCCC[C@H]1C ZINC000283709370 396343829 /nfs/dbraw/zinc/34/38/29/396343829.db2.gz JKNDOGPBIJVCGR-GRYCIOLGSA-N 0 0 319.409 0.815 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C(N)=O)nc3)C[C@@H]21 ZINC000285778549 396353183 /nfs/dbraw/zinc/35/31/83/396353183.db2.gz MWPGMSYUFMZNMS-STQMWFEESA-N 0 0 319.365 0.117 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000186662467 396354588 /nfs/dbraw/zinc/35/45/88/396354588.db2.gz WYJPBQGSCROMRM-NWDGAFQWSA-N 0 0 308.382 0.628 10 0 DCAERN COCCn1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000186728930 396356974 /nfs/dbraw/zinc/35/69/74/396356974.db2.gz UZHRZSRKNUTJPO-UHFFFAOYSA-N 0 0 307.354 0.272 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cn1 ZINC000187158162 396364379 /nfs/dbraw/zinc/36/43/79/396364379.db2.gz SOCNEUMLWFQZCF-CHWSQXEVSA-N 0 0 308.382 0.876 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)co1 ZINC000187805984 396374879 /nfs/dbraw/zinc/37/48/79/396374879.db2.gz MXLAQRSIEAOUMZ-MWLCHTKSSA-N 0 0 316.379 0.685 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)O1 ZINC000187329155 396367406 /nfs/dbraw/zinc/36/74/06/396367406.db2.gz XFQSRBRLTXSSBO-CMPLNLGQSA-N 0 0 306.366 0.836 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCc1cccnc1-n1ccnc1 ZINC000187304910 396367431 /nfs/dbraw/zinc/36/74/31/396367431.db2.gz PEJSCHJWCULNHA-UHFFFAOYSA-N 0 0 316.365 0.545 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186394423 396349314 /nfs/dbraw/zinc/34/93/14/396349314.db2.gz RAOWCCKJXPKCQN-AWEZNQCLSA-N 0 0 316.405 0.989 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186429681 396349926 /nfs/dbraw/zinc/34/99/26/396349926.db2.gz IIANFDSVVFCBOM-AWEZNQCLSA-N 0 0 304.394 0.451 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@@]34CCOC4=O)c2n1 ZINC000186549069 396352567 /nfs/dbraw/zinc/35/25/67/396352567.db2.gz WQHBBPZVRLEAPG-HNNXBMFYSA-N 0 0 300.318 0.959 10 0 DCAERN COCCN1CCCN(C(=O)NCc2ccncc2)CC1=O ZINC000188405595 396381793 /nfs/dbraw/zinc/38/17/93/396381793.db2.gz HAKORMMSBGOCIR-UHFFFAOYSA-N 0 0 306.366 0.472 10 0 DCAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCN3CCC2CC3)o1 ZINC000188641444 396384417 /nfs/dbraw/zinc/38/44/17/396384417.db2.gz YMHCHCVTEGJJLC-UHFFFAOYSA-N 0 0 312.391 0.744 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000188720849 396384878 /nfs/dbraw/zinc/38/48/78/396384878.db2.gz CEMFNVTWYQGXQB-GFCCVEGCSA-N 0 0 306.293 0.880 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188929291 396388829 /nfs/dbraw/zinc/38/88/29/396388829.db2.gz HCOQCBYQYGIANU-NEPJUHHUSA-N 0 0 318.377 0.934 10 0 DCAERN C[S@](=O)CCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189031381 396389834 /nfs/dbraw/zinc/38/98/34/396389834.db2.gz NNLZJAPEOOKNAX-NRFANRHFSA-N 0 0 304.375 0.942 10 0 DCAERN CC(C)c1nnc(NC(=O)CN2CCCNC(=O)[C@H]2C)s1 ZINC000189315179 396393287 /nfs/dbraw/zinc/39/32/87/396393287.db2.gz RUWZGITXEOHYHJ-SECBINFHSA-N 0 0 311.411 0.810 10 0 DCAERN CN(C)c1cccc(CCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000189375913 396394193 /nfs/dbraw/zinc/39/41/93/396394193.db2.gz NSVAYTQQCUYVQH-AWEZNQCLSA-N 0 0 305.378 0.398 10 0 DCAERN Cn1cnnc1[C@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189447698 396395501 /nfs/dbraw/zinc/39/55/01/396395501.db2.gz ITBWGAKXEMWFJF-GFCCVEGCSA-N 0 0 313.427 0.378 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CC(NC(=O)C3CC3)C2)CCCC1 ZINC000189482573 396395960 /nfs/dbraw/zinc/39/59/60/396395960.db2.gz MDIGXZVXSVHYHM-UHFFFAOYSA-N 0 0 322.409 0.355 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189508583 396396349 /nfs/dbraw/zinc/39/63/49/396396349.db2.gz OIBKUEWNITWUQW-ZDUSSCGKSA-N 0 0 324.425 0.601 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)cc1F ZINC000189544126 396396597 /nfs/dbraw/zinc/39/65/97/396396597.db2.gz WNQZOKGUSLMRNN-LBPRGKRZSA-N 0 0 309.341 0.953 10 0 DCAERN CN1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1=O ZINC000189748743 396398129 /nfs/dbraw/zinc/39/81/29/396398129.db2.gz AFXPLPAMWXCXRK-UHFFFAOYSA-N 0 0 313.361 0.631 10 0 DCAERN CCN1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1=O ZINC000189773202 396398999 /nfs/dbraw/zinc/39/89/99/396398999.db2.gz AYZVIBVSJDNHDR-GFCCVEGCSA-N 0 0 318.381 0.277 10 0 DCAERN CN1CCCN(C(=O)c2ccc(CS(C)(=O)=O)o2)CC1=O ZINC000189776881 396399075 /nfs/dbraw/zinc/39/90/75/396399075.db2.gz PXITYQCQARLZMX-UHFFFAOYSA-N 0 0 314.363 0.129 10 0 DCAERN CCN1CCO[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189797882 396399685 /nfs/dbraw/zinc/39/96/85/396399685.db2.gz UUGVNTNHEFKAHV-ZDUSSCGKSA-N 0 0 307.398 0.087 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccn(CCOC)n2)C[C@@H]1C ZINC000189826352 396400170 /nfs/dbraw/zinc/40/01/70/396400170.db2.gz LBUKFQQNMIKIDO-AWEZNQCLSA-N 0 0 324.425 0.712 10 0 DCAERN COCCn1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000190167773 396402999 /nfs/dbraw/zinc/40/29/99/396402999.db2.gz CKBHWYSEGLXHDQ-NSHDSACASA-N 0 0 318.381 0.948 10 0 DCAERN CN(CC(=O)N[C@H]1CCCc2c(O)cccc21)S(C)(=O)=O ZINC000190236623 396403810 /nfs/dbraw/zinc/40/38/10/396403810.db2.gz YPUVKRIYNGDGTP-LBPRGKRZSA-N 0 0 312.391 0.777 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1=O ZINC000190500245 396407163 /nfs/dbraw/zinc/40/71/63/396407163.db2.gz LBCAHEPKBJUQBD-SNVBAGLBSA-N 0 0 307.316 0.909 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000190774095 396411158 /nfs/dbraw/zinc/41/11/58/396411158.db2.gz LHHDWYMMQHZUQF-VIFPVBQESA-N 0 0 307.375 0.939 10 0 DCAERN COCCN1CCCN([C@@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775978 396411304 /nfs/dbraw/zinc/41/13/04/396411304.db2.gz IHIMOEJICUEETC-CQSZACIVSA-N 0 0 311.426 0.567 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000190863554 396412497 /nfs/dbraw/zinc/41/24/97/396412497.db2.gz OIEMCCKVCJXMMJ-MRVPVSSYSA-N 0 0 310.379 0.381 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3c(c2)N(C)CC3)CC1=O ZINC000191518262 396420308 /nfs/dbraw/zinc/42/03/08/396420308.db2.gz LXZRUHPEGUCLHX-UHFFFAOYSA-N 0 0 316.361 0.266 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1=O ZINC000191513251 396420900 /nfs/dbraw/zinc/42/09/00/396420900.db2.gz MWZULYAGQJNKLM-UHFFFAOYSA-N 0 0 300.318 0.755 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)CN2CC(=O)N(CC)C2)c1 ZINC000191527473 396421046 /nfs/dbraw/zinc/42/10/46/396421046.db2.gz IQXNNIVBTHYBMK-UHFFFAOYSA-N 0 0 318.377 0.496 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CCCO1 ZINC000287911847 396430284 /nfs/dbraw/zinc/43/02/84/396430284.db2.gz VJLWTCOLMQWPLW-VXGBXAGGSA-N 0 0 321.381 0.257 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000192619492 396433281 /nfs/dbraw/zinc/43/32/81/396433281.db2.gz GDZIRMROEOYGID-MELADBBJSA-N 0 0 312.410 0.755 10 0 DCAERN CN(C)c1noc(CN2CCCC[C@H]2CN2CCOCC2)n1 ZINC000192733647 396436697 /nfs/dbraw/zinc/43/66/97/396436697.db2.gz HBSRHJBOBMJCHX-ZDUSSCGKSA-N 0 0 309.414 0.822 10 0 DCAERN CC[C@H](N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000192854190 396438807 /nfs/dbraw/zinc/43/88/07/396438807.db2.gz MKTCKXBERGWUAT-NWDGAFQWSA-N 0 0 308.382 0.765 10 0 DCAERN COc1c(C)cc(S(=O)(=O)N2CCNC(=O)CC2)cc1C ZINC000192902730 396440493 /nfs/dbraw/zinc/44/04/93/396440493.db2.gz XMEHKQCDULBHOM-UHFFFAOYSA-N 0 0 312.391 0.823 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nncn3C)C2)C1 ZINC000193068407 396442695 /nfs/dbraw/zinc/44/26/95/396442695.db2.gz KWEDHAAHXWNIII-KBPBESRZSA-N 0 0 319.409 0.780 10 0 DCAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983315 396376743 /nfs/dbraw/zinc/37/67/43/396376743.db2.gz QIMOJYSIDDKMFK-UHFFFAOYSA-N 0 0 323.299 0.640 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NS(C)(=O)=O ZINC000515447232 396505294 /nfs/dbraw/zinc/50/52/94/396505294.db2.gz HFNFTDMAAORVLA-JTQLQIEISA-N 0 0 320.411 0.257 10 0 DCAERN CC1(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCCC1 ZINC000580855031 396505466 /nfs/dbraw/zinc/50/54/66/396505466.db2.gz GTTJNXDXXWUNHU-UHFFFAOYSA-N 0 0 321.421 0.906 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)N1CCCOCC1 ZINC000372311139 396505631 /nfs/dbraw/zinc/50/56/31/396505631.db2.gz YDUKXLJBPWWDAJ-UHFFFAOYSA-N 0 0 320.393 0.850 10 0 DCAERN CNC(=O)C1(C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000580987030 396516488 /nfs/dbraw/zinc/51/64/88/396516488.db2.gz FFCYMBRPJSTMJZ-CQSZACIVSA-N 0 0 318.373 0.819 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000580919917 396511010 /nfs/dbraw/zinc/51/10/10/396511010.db2.gz ZUQUVZDNWAHYEZ-JTQLQIEISA-N 0 0 309.366 0.808 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000288932743 396449815 /nfs/dbraw/zinc/44/98/15/396449815.db2.gz NFLKYYNWTBOISM-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000289180849 396456251 /nfs/dbraw/zinc/45/62/51/396456251.db2.gz VWJNSXLAXVPAAT-RKDXNWHRSA-N 0 0 300.380 0.990 10 0 DCAERN O=c1[nH]c(CCN2CCN3CCOC[C@H]3C2)nc2ccccc21 ZINC000371836004 396478119 /nfs/dbraw/zinc/47/81/19/396478119.db2.gz WOJFUXDITUVCFB-CYBMUJFWSA-N 0 0 314.389 0.894 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371829702 396478272 /nfs/dbraw/zinc/47/82/72/396478272.db2.gz VMCBEDVMUVBIPY-CQSZACIVSA-N 0 0 303.362 0.477 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)N2CCC[C@@H]2C)CC1=O ZINC000372160159 396493850 /nfs/dbraw/zinc/49/38/50/396493850.db2.gz JGNFXNBUSWLBFK-RHYQMDGZSA-N 0 0 301.412 0.314 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CC[C@H](OC)C2)CC1 ZINC000372716624 396539712 /nfs/dbraw/zinc/53/97/12/396539712.db2.gz OMJRPILSMHZBIF-MNOVXSKESA-N 0 0 319.427 0.277 10 0 DCAERN C(c1nnnn1CC1CCOCC1)N1CCO[C@@H](C2CC2)C1 ZINC000373107869 396567261 /nfs/dbraw/zinc/56/72/61/396567261.db2.gz XNOBGBXWZICERO-CQSZACIVSA-N 0 0 307.398 0.711 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000374147536 396643003 /nfs/dbraw/zinc/64/30/03/396643003.db2.gz VGRZFBMGLUQUKB-KKOKHZNYSA-N 0 0 302.396 0.094 10 0 DCAERN CCOC(=O)C1=CN=C2N=CC(Br)=CN2[C@H]1O ZINC000585656176 396648343 /nfs/dbraw/zinc/64/83/43/396648343.db2.gz PDEVNPGPJBQOSO-QMMMGPOBSA-N 0 0 300.112 0.744 10 0 DCAERN O=C(CCc1cccnc1)NCCCN1CCCS1(=O)=O ZINC000585736523 396651810 /nfs/dbraw/zinc/65/18/10/396651810.db2.gz MONVWPRYNXNRHU-UHFFFAOYSA-N 0 0 311.407 0.556 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000374262560 396651966 /nfs/dbraw/zinc/65/19/66/396651966.db2.gz KXCAELADYCYUBG-SWLSCSKDSA-N 0 0 317.389 0.771 10 0 DCAERN Cc1nc(C)c(C(=O)NCCCN2CCCS2(=O)=O)s1 ZINC000585736455 396652124 /nfs/dbraw/zinc/65/21/24/396652124.db2.gz YOMDHJBFLMKQEA-UHFFFAOYSA-N 0 0 317.436 0.915 10 0 DCAERN O=C(Cc1ccsc1)NCCCN1CCCS1(=O)=O ZINC000585737886 396652243 /nfs/dbraw/zinc/65/22/43/396652243.db2.gz FMRFVVIPMROVSN-UHFFFAOYSA-N 0 0 302.421 0.832 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H](c2ccccc2F)[C@@H](C)O)nn1 ZINC000582008914 396601882 /nfs/dbraw/zinc/60/18/82/396601882.db2.gz IHLANFHGYMOUKC-BMIGLBTASA-N 0 0 320.324 0.858 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NC[C@@H](C)S(C)(=O)=O)[nH]n1 ZINC000533587674 396607833 /nfs/dbraw/zinc/60/78/33/396607833.db2.gz BCTVYKGSKYOXCN-WCBMZHEXSA-N 0 0 302.400 0.381 10 0 DCAERN CC1(C)CN(C(=O)CCn2ccnn2)C[C@]2(CCCOC2)O1 ZINC000373811540 396616176 /nfs/dbraw/zinc/61/61/76/396616176.db2.gz MIOWFALNIWIUTQ-HNNXBMFYSA-N 0 0 308.382 0.855 10 0 DCAERN C[C@](O)(CNC(=O)C(=O)Nc1ccc2nccn2c1)C1CC1 ZINC000561001001 396627510 /nfs/dbraw/zinc/62/75/10/396627510.db2.gz XUCZSPZZXYNOLW-HNNXBMFYSA-N 0 0 302.334 0.550 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374116959 396640197 /nfs/dbraw/zinc/64/01/97/396640197.db2.gz BIVLPCFBJDQQOL-KXGXSXBTSA-N 0 0 311.407 0.033 10 0 DCAERN C[C@H]1CCCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000586595734 396661680 /nfs/dbraw/zinc/66/16/80/396661680.db2.gz ZZGSJZDFTLTSCE-LBPRGKRZSA-N 0 0 303.428 0.996 10 0 DCAERN COCCNC(=O)C1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000586749630 396662283 /nfs/dbraw/zinc/66/22/83/396662283.db2.gz URKYCHQJMVZPLI-UHFFFAOYSA-N 0 0 320.389 0.936 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CCCN(C)C2=O)no1 ZINC000562520526 396668641 /nfs/dbraw/zinc/66/86/41/396668641.db2.gz FOMCELBDJUWSTP-VIFPVBQESA-N 0 0 309.370 0.787 10 0 DCAERN O=C(NCCn1cncn1)Nc1cccc(N2CCOCC2)c1 ZINC000588249209 396682865 /nfs/dbraw/zinc/68/28/65/396682865.db2.gz YKPXRLGZPCQBGC-UHFFFAOYSA-N 0 0 316.365 0.936 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000374753890 396685209 /nfs/dbraw/zinc/68/52/09/396685209.db2.gz UOHWKEMGCYDQAY-LSDHHAIUSA-N 0 0 306.362 0.083 10 0 DCAERN CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCn3nccc32)c1 ZINC000589123407 396704643 /nfs/dbraw/zinc/70/46/43/396704643.db2.gz ONZYEOPATYTIHM-UHFFFAOYSA-N 0 0 323.378 0.512 10 0 DCAERN O=C(Cn1cncn1)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000589454398 396715614 /nfs/dbraw/zinc/71/56/14/396715614.db2.gz UKHDDAWWEUSJON-GFCCVEGCSA-N 0 0 317.374 0.818 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C1=NS(=O)(=O)c2ccccc21 ZINC000302047068 396718115 /nfs/dbraw/zinc/71/81/15/396718115.db2.gz YOCXQZRJDWHRDB-ZJUUUORDSA-N 0 0 307.375 0.721 10 0 DCAERN CNc1c(Cl)ncnc1NCC1CN(S(C)(=O)=O)C1 ZINC000302598830 396721267 /nfs/dbraw/zinc/72/12/67/396721267.db2.gz XZGOXHRLEYJBAJ-UHFFFAOYSA-N 0 0 305.791 0.475 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@]2(OCCO)CCOC2)s1 ZINC000617717540 396789621 /nfs/dbraw/zinc/78/96/21/396789621.db2.gz JQMHVGMABHGLDC-CYBMUJFWSA-N 0 0 314.363 0.244 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@@]2(OCCO)CCOC2)s1 ZINC000617717541 396789707 /nfs/dbraw/zinc/78/97/07/396789707.db2.gz JQMHVGMABHGLDC-ZDUSSCGKSA-N 0 0 314.363 0.244 10 0 DCAERN COC[C@](C)(CO)NC(=O)Nc1cccc([S@](C)=O)c1 ZINC000610584450 396732763 /nfs/dbraw/zinc/73/27/63/396732763.db2.gz TZLHQSWYVGXVRS-RBZFPXEDSA-N 0 0 300.380 0.943 10 0 DCAERN O=C(Cn1ncc2ccccc21)NCc1nnc2n1CCOC2 ZINC000375448950 396747372 /nfs/dbraw/zinc/74/73/72/396747372.db2.gz WVVKUBNBBCVKEV-UHFFFAOYSA-N 0 0 312.333 0.474 10 0 DCAERN CCn1cnnc1CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000600198855 396753511 /nfs/dbraw/zinc/75/35/11/396753511.db2.gz XTZNSYXCBRGLSA-GFCCVEGCSA-N 0 0 315.377 0.775 10 0 DCAERN CCCCOC[C@@H](O)CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312819243 396766427 /nfs/dbraw/zinc/76/64/27/396766427.db2.gz MNBHIGHKFCTVOJ-KBPBESRZSA-N 0 0 307.456 0.921 10 0 DCAERN CCOC(=O)COCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312661101 396766739 /nfs/dbraw/zinc/76/67/39/396766739.db2.gz HHQAKOBZWRRBSX-LBPRGKRZSA-N 0 0 307.412 0.323 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)NCC[C@@H](O)C(F)F)CS2 ZINC000633995139 396766895 /nfs/dbraw/zinc/76/68/95/396766895.db2.gz QNIQPTFIEZRJKT-SXMVTHIZSA-N 0 0 308.350 0.573 10 0 DCAERN CN(CC(=O)NCC[C@H](O)C(F)F)C(=O)c1cccs1 ZINC000633994845 396767134 /nfs/dbraw/zinc/76/71/34/396767134.db2.gz WEXPFAFFAFUCLQ-QMMMGPOBSA-N 0 0 306.334 0.952 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)CC1=O ZINC000375577788 396774114 /nfs/dbraw/zinc/77/41/14/396774114.db2.gz HPFHNLYHDHYZQI-OPDFLTKYSA-N 0 0 308.378 0.655 10 0 DCAERN COC1(c2ccccc2)CN(C[C@@H](O)CN2CCOCC2)C1 ZINC000375577919 396774640 /nfs/dbraw/zinc/77/46/40/396774640.db2.gz MHIJBFGGDKWYPF-INIZCTEOSA-N 0 0 306.406 0.537 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H](CO)CC2CC2)cc1 ZINC000611108060 396818369 /nfs/dbraw/zinc/81/83/69/396818369.db2.gz PSKMSGJDKRWJEE-LBPRGKRZSA-N 0 0 313.375 0.913 10 0 DCAERN CCc1nnsc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328624712 396825391 /nfs/dbraw/zinc/82/53/91/396825391.db2.gz KBBXXRXHTZDDEN-JTQLQIEISA-N 0 0 306.395 0.953 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cnc(C)s1 ZINC000590704684 396826551 /nfs/dbraw/zinc/82/65/51/396826551.db2.gz JVMHRRUOWIPCLH-LBPRGKRZSA-N 0 0 324.406 0.195 10 0 DCAERN CCc1noc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)n1 ZINC000328628596 396827027 /nfs/dbraw/zinc/82/70/27/396827027.db2.gz NYCUBQNMSQCDOQ-ABAIWWIYSA-N 0 0 318.381 0.736 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)c3cc(Cl)c[nH]3)C1)C2 ZINC000328655769 396830863 /nfs/dbraw/zinc/83/08/63/396830863.db2.gz YQYLMPZEQMJRMN-UHFFFAOYSA-N 0 0 320.784 0.908 10 0 DCAERN O=C1[C@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678219 396831574 /nfs/dbraw/zinc/83/15/74/396831574.db2.gz SRDHGIDENMIUNP-DGCLKSJQSA-N 0 0 322.327 0.765 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000611195462 396832457 /nfs/dbraw/zinc/83/24/57/396832457.db2.gz BRVWXTJHDJMEOG-MRVPVSSYSA-N 0 0 309.326 0.384 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634231421 396815549 /nfs/dbraw/zinc/81/55/49/396815549.db2.gz AJAOBCVIDQIXNX-HBNTYKKESA-N 0 0 308.300 0.627 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634750499 396907115 /nfs/dbraw/zinc/90/71/15/396907115.db2.gz YICXWCHXLOCGEH-GFCCVEGCSA-N 0 0 319.352 0.033 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000333159898 396919968 /nfs/dbraw/zinc/91/99/68/396919968.db2.gz LSJKFCXEVCYYMJ-KXNHARMFSA-N 0 0 312.395 0.696 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000376428892 396926679 /nfs/dbraw/zinc/92/66/79/396926679.db2.gz QKZJJTRMNGQFTH-LPWJVIDDSA-N 0 0 307.394 0.370 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@@](F)(CO)C1 ZINC000376443732 396930735 /nfs/dbraw/zinc/93/07/35/396930735.db2.gz WCOOIKMGPAHOHV-HZMBPMFUSA-N 0 0 310.329 0.086 10 0 DCAERN COc1ccc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)cc1O ZINC000376632339 396955970 /nfs/dbraw/zinc/95/59/70/396955970.db2.gz LRSUCDRAJYYHGC-NSHDSACASA-N 0 0 307.350 0.808 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000618312136 396956751 /nfs/dbraw/zinc/95/67/51/396956751.db2.gz HYXGZNGXWAWHNG-DRZSPHRISA-N 0 0 316.423 0.327 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)NCc1cn(C)nn1)CC2 ZINC000611951195 396957357 /nfs/dbraw/zinc/95/73/57/396957357.db2.gz MUJZZLYJPZJQAB-NSHDSACASA-N 0 0 307.354 0.300 10 0 DCAERN Cn1cc([C@@H](NCCCC(=O)NC(N)=O)C(F)(F)F)cn1 ZINC000618557509 396993049 /nfs/dbraw/zinc/99/30/49/396993049.db2.gz RIGHPOGRSKFDCV-SECBINFHSA-N 0 0 307.276 0.588 10 0 DCAERN COC(=O)[C@H]1CCc2nnc(CNC(=O)c3ccco3)n2C1 ZINC000601045902 396997767 /nfs/dbraw/zinc/99/77/67/396997767.db2.gz ZUZDAISBKHKUCZ-VIFPVBQESA-N 0 0 304.306 0.537 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCO1 ZINC000618675047 397009081 /nfs/dbraw/zinc/00/90/81/397009081.db2.gz BBEGLJMMRDCYAD-JHJVBQTASA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCN1S(C)(=O)=O ZINC000618675865 397009267 /nfs/dbraw/zinc/00/92/67/397009267.db2.gz HADZDCILNPYZSR-VOMCLLRMSA-N 0 0 304.412 0.030 10 0 DCAERN CC(C)c1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)no1 ZINC000618675222 397009413 /nfs/dbraw/zinc/00/94/13/397009413.db2.gz DWMGMRJXBRIOSX-SNVBAGLBSA-N 0 0 315.395 0.904 10 0 DCAERN Cc1cc(C2(C(=O)N3CCNC(=O)C[C@H]3C)CCOCC2)on1 ZINC000625824739 397011153 /nfs/dbraw/zinc/01/11/53/397011153.db2.gz NFPBLUBICSTNCV-GFCCVEGCSA-N 0 0 321.377 0.768 10 0 DCAERN CCc1nnsc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618681014 397013110 /nfs/dbraw/zinc/01/31/10/397013110.db2.gz HNRNSOOSECWJAY-MRVPVSSYSA-N 0 0 318.424 0.206 10 0 DCAERN COCCc1ccnc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000376744511 396971859 /nfs/dbraw/zinc/97/18/59/396971859.db2.gz UNBKMCUFRZTCKJ-CQSZACIVSA-N 0 0 320.393 0.819 10 0 DCAERN Cc1cc(C)c(CNC(=O)N2CCN(C3CC3)C(=O)C2)c(=O)[nH]1 ZINC000571657374 396974404 /nfs/dbraw/zinc/97/44/04/396974404.db2.gz VIZRUGNXNSCQSJ-UHFFFAOYSA-N 0 0 318.377 0.920 10 0 DCAERN CC(=O)c1ccccc1OCCN1CCO[C@@H](CC(N)=O)C1 ZINC000626083727 397075768 /nfs/dbraw/zinc/07/57/68/397075768.db2.gz AHQSXRLLEBMCFZ-ZDUSSCGKSA-N 0 0 306.362 0.844 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000377577651 397105972 /nfs/dbraw/zinc/10/59/72/397105972.db2.gz USPBKKAXIBJIQJ-AWEZNQCLSA-N 0 0 307.394 0.611 10 0 DCAERN CC(C)N(CC(=O)[O-])C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630573412 397050518 /nfs/dbraw/zinc/05/05/18/397050518.db2.gz VYCSHLVVQALLHV-CQSZACIVSA-N 0 0 307.394 0.767 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000619515169 397144435 /nfs/dbraw/zinc/14/44/35/397144435.db2.gz RHYBNZKGUKPPRO-LOWDOPEQSA-N 0 0 305.346 0.128 10 0 DCAERN Cn1cccc1C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000377828007 397148648 /nfs/dbraw/zinc/14/86/48/397148648.db2.gz BZQVTPARJIPECT-CYBMUJFWSA-N 0 0 304.394 0.452 10 0 DCAERN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000630853667 397118283 /nfs/dbraw/zinc/11/82/83/397118283.db2.gz YQZOMOYOFRESSH-JHJVBQTASA-N 0 0 306.414 0.996 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C1=O ZINC000619797833 397193638 /nfs/dbraw/zinc/19/36/38/397193638.db2.gz SABMGEUEHPYFBP-NSHDSACASA-N 0 0 320.411 0.260 10 0 DCAERN CCN1CC[C@H](NC(=O)NCc2ccc(C(=O)OC)o2)C1=O ZINC000619800566 397195118 /nfs/dbraw/zinc/19/51/18/397195118.db2.gz ODZGZLHDUULROQ-JTQLQIEISA-N 0 0 309.322 0.486 10 0 DCAERN c1cc(-c2nnc3ccc(N4C[C@@H]5COC[C@H](C4)O5)nn32)ccn1 ZINC000631272240 397197011 /nfs/dbraw/zinc/19/70/11/397197011.db2.gz GKEZFUBOBYKCOE-BETUJISGSA-N 0 0 324.344 0.790 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCC1(C)COC1 ZINC000573710590 397198608 /nfs/dbraw/zinc/19/86/08/397198608.db2.gz MVJBESVABFNKHH-CHWSQXEVSA-N 0 0 309.410 0.224 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCOC[C@H](C)C2)c1 ZINC000378263122 397220451 /nfs/dbraw/zinc/22/04/51/397220451.db2.gz YHFSSLYTNAKIEF-AAOUONPWSA-N 0 0 303.362 0.949 10 0 DCAERN COCc1cncc(C(=O)N2CCO[C@@H](CC(=O)OC)C2)c1 ZINC000613234747 397224857 /nfs/dbraw/zinc/22/48/57/397224857.db2.gz MHVGUMXULCOGMG-ZDUSSCGKSA-N 0 0 308.334 0.632 10 0 DCAERN COC[C@@](C)(CO)NC(=O)CCc1nc(CSC)no1 ZINC000613534836 397274470 /nfs/dbraw/zinc/27/44/70/397274470.db2.gz WASBLXWJOBUZII-GFCCVEGCSA-N 0 0 303.384 0.379 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CCN(C2CC2)CC1 ZINC000620795732 397305341 /nfs/dbraw/zinc/30/53/41/397305341.db2.gz DCHAROADLZDNLU-UHFFFAOYSA-N 0 0 305.353 0.862 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2COCCN2)CCN1Cc1ccccc1 ZINC000396398846 397310365 /nfs/dbraw/zinc/31/03/65/397310365.db2.gz WWAXTXRKCAUYCW-ZBFHGGJFSA-N 0 0 303.406 0.708 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)CCN1 ZINC000396699439 397310861 /nfs/dbraw/zinc/31/08/61/397310861.db2.gz HSVOYBBBUYTUJD-GFCCVEGCSA-N 0 0 300.355 0.914 10 0 DCAERN C[C@@H](C(=O)N1CC(n2ccnn2)C1)n1nnc(-c2ccccc2)n1 ZINC000378535462 397254097 /nfs/dbraw/zinc/25/40/97/397254097.db2.gz FZLMJACSMZZVHF-NSHDSACASA-N 0 0 324.348 0.576 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378546308 397255123 /nfs/dbraw/zinc/25/51/23/397255123.db2.gz GOJXOMHDJYSVSU-STQMWFEESA-N 0 0 319.409 0.946 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000399193483 397314582 /nfs/dbraw/zinc/31/45/82/397314582.db2.gz KHMMANYGVWSAKZ-WOPDTQHZSA-N 0 0 304.412 0.030 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)c3cccc(O)c3)CCN2C1=O ZINC000378562410 397256235 /nfs/dbraw/zinc/25/62/35/397256235.db2.gz KGRZVHGORZIRKI-LBPRGKRZSA-N 0 0 303.318 0.501 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC(CO)C2)o1 ZINC000620886645 397314841 /nfs/dbraw/zinc/31/48/41/397314841.db2.gz GXBFUPCBDNBTIS-UHFFFAOYSA-N 0 0 302.352 0.031 10 0 DCAERN Cc1cccc([C@@H]2C(=O)NCCN2C(=O)Cc2cnnn2C)c1 ZINC000620357711 397262394 /nfs/dbraw/zinc/26/23/94/397262394.db2.gz KKUFHJFPNSNGCR-OAHLLOKOSA-N 0 0 313.361 0.366 10 0 DCAERN CN(C)c1nc(CN2CCC[C@@H](S(C)(=O)=O)C2)ns1 ZINC000407950289 397333441 /nfs/dbraw/zinc/33/34/41/397333441.db2.gz RFIKBHLJPQAUHT-SECBINFHSA-N 0 0 304.441 0.613 10 0 DCAERN NC(=O)NCC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000407959184 397337241 /nfs/dbraw/zinc/33/72/41/397337241.db2.gz SZHQBFWTBQMKPW-LLVKDONJSA-N 0 0 305.382 0.594 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NC[C@@H]3CCCOC3)CC2)n1 ZINC000577503811 397337211 /nfs/dbraw/zinc/33/72/11/397337211.db2.gz ZVOCRHSPZAYVKK-ZDUSSCGKSA-N 0 0 323.397 0.632 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1=O ZINC000407961552 397337814 /nfs/dbraw/zinc/33/78/14/397337814.db2.gz HYFKERMZZCFYHI-IACUBPJLSA-N 0 0 305.378 0.936 10 0 DCAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000407961033 397337976 /nfs/dbraw/zinc/33/79/76/397337976.db2.gz ZXZZYYDBOFYRHS-NEPJUHHUSA-N 0 0 324.425 0.409 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407966406 397339665 /nfs/dbraw/zinc/33/96/65/397339665.db2.gz AVMUWQQHRKCITR-LBPRGKRZSA-N 0 0 309.410 0.570 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCN[C@H](c2ccncc2)C1 ZINC000407965939 397340010 /nfs/dbraw/zinc/34/00/10/397340010.db2.gz MJNJEEPSQSVWLL-UONOGXRCSA-N 0 0 323.418 0.522 10 0 DCAERN C[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CC(=O)N1C ZINC000407968546 397340454 /nfs/dbraw/zinc/34/04/54/397340454.db2.gz GKUQSTNTHRXKFM-LLVKDONJSA-N 0 0 316.423 0.423 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408206197 397350773 /nfs/dbraw/zinc/35/07/73/397350773.db2.gz SQWIQXSWBORSCN-UWVGGRQHSA-N 0 0 314.411 0.618 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000408332978 397353722 /nfs/dbraw/zinc/35/37/22/397353722.db2.gz YGPRVAURWNHCLZ-RWMBFGLXSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCn4cnnc4[C@H]3C)cnc12 ZINC000408343195 397353883 /nfs/dbraw/zinc/35/38/83/397353883.db2.gz NYEWKKMZWZGUQU-LLVKDONJSA-N 0 0 324.344 0.811 10 0 DCAERN CC1(C)CN(C(=O)NCCS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000366227483 397354017 /nfs/dbraw/zinc/35/40/17/397354017.db2.gz ZKRSJGLCFYCMHE-ZDUSSCGKSA-N 0 0 320.411 0.011 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000408366596 397354753 /nfs/dbraw/zinc/35/47/53/397354753.db2.gz YJVCGDMKMFGKEE-GXFFZTMASA-N 0 0 303.380 0.508 10 0 DCAERN CC1(C)CN(C(=O)Cn2cccnc2=O)C[C@@]2(CCOC2)O1 ZINC000366534582 397373382 /nfs/dbraw/zinc/37/33/82/397373382.db2.gz WDVBNTBSGSUPLY-OAHLLOKOSA-N 0 0 307.350 0.040 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401781396 397321931 /nfs/dbraw/zinc/32/19/31/397321931.db2.gz BJSZPGGJIXBUJJ-SFYZADRCSA-N 0 0 320.392 0.321 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)[nH]c2C)CC1 ZINC000593851766 397456007 /nfs/dbraw/zinc/45/60/07/397456007.db2.gz AVOVSRBGVBACEE-UHFFFAOYSA-N 0 0 320.393 0.442 10 0 DCAERN COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000578551292 397453470 /nfs/dbraw/zinc/45/34/70/397453470.db2.gz GTVDMRFFDUBNOZ-LRDDRELGSA-N 0 0 318.377 0.833 10 0 DCAERN Cn1c2cc(NC(=O)NC3(C(N)=O)CC3)ccc2ccc1=O ZINC000578296515 397415052 /nfs/dbraw/zinc/41/50/52/397415052.db2.gz CYVURPMQTAZXSL-UHFFFAOYSA-N 0 0 300.318 0.678 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)nc1 ZINC000487093539 397465521 /nfs/dbraw/zinc/46/55/21/397465521.db2.gz CDSFZRSOJAAFAW-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC1CCOCC1 ZINC000487138455 397466978 /nfs/dbraw/zinc/46/69/78/397466978.db2.gz NECBNJQDVFPKPM-QWRGUYRKSA-N 0 0 314.382 0.376 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000614588883 397476587 /nfs/dbraw/zinc/47/65/87/397476587.db2.gz LRSCJQSLOYGGEB-GUTXKFCHSA-N 0 0 301.383 0.570 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1c(C)nn(C)c1-n1cc(C)cn1 ZINC000488390783 397491912 /nfs/dbraw/zinc/49/19/12/397491912.db2.gz WUBAQTKOMRKICC-UHFFFAOYSA-N 0 0 319.365 0.858 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CCO1 ZINC000370539198 397498469 /nfs/dbraw/zinc/49/84/69/397498469.db2.gz RBGVVPRFNHUJMT-LOWDOPEQSA-N 0 0 312.366 0.527 10 0 DCAERN CC(=O)CSCC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594099194 397500255 /nfs/dbraw/zinc/50/02/55/397500255.db2.gz NNOQUMXCGQOFAR-RTXFEEFZSA-N 0 0 302.440 0.923 10 0 DCAERN CC(=O)N(CC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccccc1 ZINC000603138858 397575121 /nfs/dbraw/zinc/57/51/21/397575121.db2.gz UZTDTRYNGSNHKN-DGCWBMGLSA-N 0 0 306.387 0.771 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC000370959079 397528613 /nfs/dbraw/zinc/52/86/13/397528613.db2.gz JUMWVPVFHGWJCP-PSASIEDQSA-N 0 0 315.399 0.104 10 0 DCAERN COCCN1CCN(c2nc([C@H](C)OC)ns2)CC1=O ZINC000579736310 397591496 /nfs/dbraw/zinc/59/14/96/397591496.db2.gz VYGNNSDVSIXJOJ-VIFPVBQESA-N 0 0 300.384 0.541 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000603503592 397614572 /nfs/dbraw/zinc/61/45/72/397614572.db2.gz VCUAYNTYPNYAGC-LLVKDONJSA-N 0 0 312.457 0.378 10 0 DCAERN CCc1noc(CS(=O)(=O)CC(=O)N(C)CC2CC2)n1 ZINC000603554331 397615628 /nfs/dbraw/zinc/61/56/28/397615628.db2.gz UDKJPJSPUZACKX-UHFFFAOYSA-N 0 0 301.368 0.415 10 0 DCAERN Cc1nnc2ccc(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)cn12 ZINC000608219250 397721169 /nfs/dbraw/zinc/72/11/69/397721169.db2.gz KHHXQSZMRKIMNR-BIMULSAOSA-N 0 0 313.361 0.777 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000608219179 397721265 /nfs/dbraw/zinc/72/12/65/397721265.db2.gz DXZOJPKLHSFLOA-VTPLQMEGSA-N 0 0 321.421 0.807 10 0 DCAERN O=S1(=O)CCCN1CCCNc1cc(-n2ccnc2)ncn1 ZINC000607145916 397697354 /nfs/dbraw/zinc/69/73/54/397697354.db2.gz CNOMJDASYYUGKT-UHFFFAOYSA-N 0 0 322.394 0.500 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)c1cncc(-n2cccn2)n1 ZINC000607148237 397697440 /nfs/dbraw/zinc/69/74/40/397697440.db2.gz QYVGUUIBYOKWFF-NSHDSACASA-N 0 0 307.379 0.533 10 0 DCAERN Cc1c(C(=O)N2CCCC[C@H]2CN2CCOCC2)nnn1C ZINC000607506187 397703138 /nfs/dbraw/zinc/70/31/38/397703138.db2.gz ZNIICHREJHYHLA-ZDUSSCGKSA-N 0 0 307.398 0.450 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 ZINC000608774041 397754614 /nfs/dbraw/zinc/75/46/14/397754614.db2.gz MHTLUOPLMXRUQE-UHFFFAOYSA-N 0 0 315.337 0.358 10 0 DCAERN COC(=O)[C@@H](NC(=O)Cn1nc(C)cc1C)c1ccccn1 ZINC000610256247 397809892 /nfs/dbraw/zinc/80/98/92/397809892.db2.gz VNQCFKFTABVNEO-AWEZNQCLSA-N 0 0 302.334 0.925 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)NCc1noc(C)n1)CC2 ZINC000610404660 397817906 /nfs/dbraw/zinc/81/79/06/397817906.db2.gz IMEJNWYTYOKUPU-SNVBAGLBSA-N 0 0 308.338 0.863 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000194048655 296570068 /nfs/dbraw/zinc/57/00/68/296570068.db2.gz QMQHVSOTZPEPRG-SOCHQFKDSA-N 0 0 309.288 0.220 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC000156604019 545848877 /nfs/dbraw/zinc/84/88/77/545848877.db2.gz CYUCCVPTJSNZCR-UPJWGTAASA-N 0 0 307.394 0.548 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000407989172 286119506 /nfs/dbraw/zinc/11/95/06/286119506.db2.gz GCXWYNVQYNICQQ-JHJVBQTASA-N 0 0 307.412 0.621 10 0 DCAERN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c2ccno2)cc1 ZINC000072321717 286379158 /nfs/dbraw/zinc/37/91/58/286379158.db2.gz DSRDKLBXSSCROQ-QHSBEEBCSA-N 0 0 318.329 0.691 10 0 biogenic DCAERN CCO[C@H]1C[C@](NS(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278753 286549954 /nfs/dbraw/zinc/54/99/54/286549954.db2.gz UVJLBXLNFSMHPR-GWCFXTLKSA-N 0 0 323.411 0.299 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCn2ccnc2)C[C@@H](C)O1 ZINC000048311820 158005241 /nfs/dbraw/zinc/00/52/41/158005241.db2.gz SHUBCRLHJFXZEQ-VXGBXAGGSA-N 0 0 302.400 0.217 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cscn2)C1=O ZINC000050408226 158011721 /nfs/dbraw/zinc/01/17/21/158011721.db2.gz PPPHKMGCOZFSNP-ZDUSSCGKSA-N 0 0 308.363 0.480 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCNC(=O)CC1 ZINC000054258135 158020322 /nfs/dbraw/zinc/02/03/22/158020322.db2.gz HUTLQVWTDAZWRN-NWDGAFQWSA-N 0 0 310.398 0.213 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000055071282 158021435 /nfs/dbraw/zinc/02/14/35/158021435.db2.gz OYVHCMWIRZCOTP-GFCCVEGCSA-N 0 0 312.414 0.409 10 0 DCAERN CCOCCOCC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000056968425 158024398 /nfs/dbraw/zinc/02/43/98/158024398.db2.gz RSUCNRXDTJXXMS-UHFFFAOYSA-N 0 0 307.394 0.779 10 0 DCAERN O=C(COc1ccc2ccc(=O)oc2c1)N1CCNC(=O)CC1 ZINC000065903401 158034401 /nfs/dbraw/zinc/03/44/01/158034401.db2.gz UQAFZGYJMARFJV-UHFFFAOYSA-N 0 0 316.313 0.520 10 0 DCAERN COc1ccc(-n2ccc(C(=O)N3CCNC(=O)CC3)n2)cc1 ZINC000065901790 158034477 /nfs/dbraw/zinc/03/44/77/158034477.db2.gz FQTZHOHREJWIAT-UHFFFAOYSA-N 0 0 314.345 0.843 10 0 DCAERN O=C(CCCNC(=O)NC1CCCCC1)N1CCNC(=O)CC1 ZINC000065902597 158034770 /nfs/dbraw/zinc/03/47/70/158034770.db2.gz DQZDVQIGNJRULI-UHFFFAOYSA-N 0 0 324.425 0.747 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067314440 158038626 /nfs/dbraw/zinc/03/86/26/158038626.db2.gz DRQSULQFDIMFEQ-AWEZNQCLSA-N 0 0 319.405 0.718 10 0 DCAERN C[C@H](NC(=O)CNC(N)=O)c1cccc(N2CCCC2=O)c1 ZINC000068713663 158043494 /nfs/dbraw/zinc/04/34/94/158043494.db2.gz NYZXUNSYDMFVSF-JTQLQIEISA-N 0 0 304.350 0.659 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000072709442 158052286 /nfs/dbraw/zinc/05/22/86/158052286.db2.gz NSOLXZLLHIPMBE-LBPRGKRZSA-N 0 0 309.395 0.989 10 0 DCAERN Cn1cc(/C=C/c2nc(-c3ccncc3)no2)c(=O)n(C)c1=O ZINC000074457000 158059899 /nfs/dbraw/zinc/05/98/99/158059899.db2.gz ZFHOXXXMDOELLR-ONEGZZNKSA-N 0 0 311.301 0.699 10 0 DCAERN O=C(Cc1ccc[nH]1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000075033852 158060910 /nfs/dbraw/zinc/06/09/10/158060910.db2.gz GRZOHCTYQKDIOF-AWEZNQCLSA-N 0 0 305.378 0.797 10 0 DCAERN C[C@@H](O)C[C@@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000077051090 158066734 /nfs/dbraw/zinc/06/67/34/158066734.db2.gz KKBQEPVLKKFYBY-GHMZBOCLSA-N 0 0 319.361 0.213 10 0 DCAERN COc1ccc(-c2cc(N(C)CC(=O)NC(N)=O)n[nH]2)cc1 ZINC000077360773 158068108 /nfs/dbraw/zinc/06/81/08/158068108.db2.gz DCIFJUZHYCWWFS-UHFFFAOYSA-N 0 0 303.322 0.716 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000077620157 158069018 /nfs/dbraw/zinc/06/90/18/158069018.db2.gz RUSGGQGGLOMMMJ-JSGCOSHPSA-N 0 0 324.425 0.698 10 0 DCAERN COCCCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077651092 158069365 /nfs/dbraw/zinc/06/93/65/158069365.db2.gz RSYHCWFPIKCDHL-UHFFFAOYSA-N 0 0 304.306 0.828 10 0 DCAERN Cn1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000078241161 158071298 /nfs/dbraw/zinc/07/12/98/158071298.db2.gz SSEKMOOJGCMHDG-UHFFFAOYSA-N 0 0 309.351 0.389 10 0 DCAERN COCc1cccc(NC(=O)C(=O)NCc2ccnn2C)c1 ZINC000077867293 158071351 /nfs/dbraw/zinc/07/13/51/158071351.db2.gz SAFRCVYRLBCVTJ-UHFFFAOYSA-N 0 0 302.334 0.821 10 0 DCAERN CC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000078732260 158074408 /nfs/dbraw/zinc/07/44/08/158074408.db2.gz RIROXUDTVPVWAD-UHFFFAOYSA-N 0 0 315.395 0.516 10 0 DCAERN CC(C)(CNC(=O)NC1CCN(c2ncccn2)CC1)C(N)=O ZINC000079157977 158077343 /nfs/dbraw/zinc/07/73/43/158077343.db2.gz HEBUFLQJRSCHSQ-UHFFFAOYSA-N 0 0 320.397 0.256 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000081182812 158082166 /nfs/dbraw/zinc/08/21/66/158082166.db2.gz SLJXDQSJUFSZEJ-GFCCVEGCSA-N 0 0 305.444 0.368 10 0 DCAERN O=C(Cc1cccc(Cl)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856416 158088751 /nfs/dbraw/zinc/08/87/51/158088751.db2.gz ZVLCLAMACRLIDH-AWEZNQCLSA-N 0 0 307.737 0.693 10 0 DCAERN O=C(c1c(F)cccc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856731 158089134 /nfs/dbraw/zinc/08/91/34/158089134.db2.gz QABQVTNHTLKMPR-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN CSc1ccccc1C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796371 158089193 /nfs/dbraw/zinc/08/91/93/158089193.db2.gz ZMKPSONKVRGAGT-AWEZNQCLSA-N 0 0 305.359 0.833 10 0 DCAERN Cc1ccc(NC(=O)[C@H]2CN(C)CCO2)cc1S(C)(=O)=O ZINC000089201941 158095669 /nfs/dbraw/zinc/09/56/69/158095669.db2.gz SQIWXUGXXHGJNQ-GFCCVEGCSA-N 0 0 312.391 0.668 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990667 158099908 /nfs/dbraw/zinc/09/99/08/158099908.db2.gz DZPZQAZHRMGJDD-YFKPBYRVSA-N 0 0 302.128 0.601 10 0 DCAERN C[C@@](O)(CO)CNC(=O)Cc1ccc(Br)cc1 ZINC000090285366 158102909 /nfs/dbraw/zinc/10/29/09/158102909.db2.gz UPNUSSZZGKSHJK-LBPRGKRZSA-N 0 0 302.168 0.851 10 0 DCAERN COCCN(C(=O)N[C@@H](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000091205033 158108190 /nfs/dbraw/zinc/10/81/90/158108190.db2.gz JZJMTDDGFUFLNH-NWDGAFQWSA-N 0 0 306.428 0.876 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091782375 158109183 /nfs/dbraw/zinc/10/91/83/158109183.db2.gz IRHSJNVAMUYSPK-CYBMUJFWSA-N 0 0 306.362 0.731 10 0 DCAERN Cc1c(Cl)cccc1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092229489 158112852 /nfs/dbraw/zinc/11/28/52/158112852.db2.gz GJPHJRLJRKTMCU-LBPRGKRZSA-N 0 0 311.769 0.773 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCN(CC3CC3)CC2)C1 ZINC000097000813 158124377 /nfs/dbraw/zinc/12/43/77/158124377.db2.gz WYAPAKIAJJELNJ-ZDUSSCGKSA-N 0 0 301.456 0.991 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCCN(c2ccc(C)nn2)CC1 ZINC000105800660 158130372 /nfs/dbraw/zinc/13/03/72/158130372.db2.gz GSZSVFUIHDJNFK-LBPRGKRZSA-N 0 0 320.397 0.141 10 0 DCAERN O=C(CN1CCCC1=O)N1CCCN(c2cccnn2)CC1 ZINC000105810347 158131007 /nfs/dbraw/zinc/13/10/07/158131007.db2.gz DYGQVNAPDPTALV-UHFFFAOYSA-N 0 0 303.366 0.138 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)N(C)C)CC2)n2ncnc2n1 ZINC000105908850 158132397 /nfs/dbraw/zinc/13/23/97/158132397.db2.gz SCZZMDREGJBEJC-GFCCVEGCSA-N 0 0 317.397 0.031 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)CCn3cccn3)CC2)no1 ZINC000110945444 158138148 /nfs/dbraw/zinc/13/81/48/158138148.db2.gz CJONEHGXIPQZOE-UHFFFAOYSA-N 0 0 318.381 0.699 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N[C@@H]1CCc2ncnn2C1 ZINC000112661382 158143968 /nfs/dbraw/zinc/14/39/68/158143968.db2.gz QMMHXIFKXPWXAV-SNVBAGLBSA-N 0 0 303.322 0.122 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000112712356 158144052 /nfs/dbraw/zinc/14/40/52/158144052.db2.gz WNIZQVNMMIYJFJ-SECBINFHSA-N 0 0 310.317 0.259 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000112682324 158144102 /nfs/dbraw/zinc/14/41/02/158144102.db2.gz AQAUZQVOZWAPRK-RISCZKNCSA-N 0 0 323.418 0.880 10 0 DCAERN O=C(NC1CCC2(CC1)OCCO2)N[C@H]1CCc2ncnn2C1 ZINC000112742775 158144310 /nfs/dbraw/zinc/14/43/10/158144310.db2.gz PWDIIGGDSYVQCY-LBPRGKRZSA-N 0 0 321.381 0.578 10 0 DCAERN CCn1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)cn1 ZINC000114333569 158151145 /nfs/dbraw/zinc/15/11/45/158151145.db2.gz CLXYLJIZMGDKHQ-UHFFFAOYSA-N 0 0 318.381 0.943 10 0 DCAERN O=Cc1ccccc1OCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114858012 158157724 /nfs/dbraw/zinc/15/77/24/158157724.db2.gz YLEYWQMDKOTNKW-OAHLLOKOSA-N 0 0 318.373 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000114862262 158157886 /nfs/dbraw/zinc/15/78/86/158157886.db2.gz ZMFSSYDBNSSWKJ-JTQLQIEISA-N 0 0 307.398 0.434 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCN(C)C(=O)OC)CC2 ZINC000114868034 158159029 /nfs/dbraw/zinc/15/90/29/158159029.db2.gz PTLUKOAKBCIJPS-LLVKDONJSA-N 0 0 323.397 0.750 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000114872259 158159319 /nfs/dbraw/zinc/15/93/19/158159319.db2.gz MEXBONPQLKTVAD-SNVBAGLBSA-N 0 0 311.349 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)CC2 ZINC000114897996 158159339 /nfs/dbraw/zinc/15/93/39/158159339.db2.gz NKHZEGUTCACVHZ-RYUDHWBXSA-N 0 0 305.382 0.282 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(-n2cncn2)c1 ZINC000115382617 158161696 /nfs/dbraw/zinc/16/16/96/158161696.db2.gz SWJIMBBAYBUZHQ-GFCCVEGCSA-N 0 0 309.333 0.604 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1C ZINC000116370765 158165931 /nfs/dbraw/zinc/16/59/31/158165931.db2.gz APDMQTJWUGUPFH-NSHDSACASA-N 0 0 309.395 0.640 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1C ZINC000117277107 158170444 /nfs/dbraw/zinc/17/04/44/158170444.db2.gz QRLMOJKTKSXWFT-GFCCVEGCSA-N 0 0 308.382 0.172 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)CNC(N)=O)C2)c1 ZINC000117423248 158172282 /nfs/dbraw/zinc/17/22/82/158172282.db2.gz AQXBBIMCPKUWFA-LLVKDONJSA-N 0 0 306.366 0.449 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CC(=O)N1CCOCC1 ZINC000117745792 158172907 /nfs/dbraw/zinc/17/29/07/158172907.db2.gz RHCIZPVWAUKTCY-BLLLJJGKSA-N 0 0 318.373 0.868 10 0 DCAERN COCCNC(=O)CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000117747581 158173475 /nfs/dbraw/zinc/17/34/75/158173475.db2.gz FRADRCUEPGGEMC-GFCCVEGCSA-N 0 0 306.362 0.822 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC(=O)N1CCOCC1 ZINC000117745787 158173545 /nfs/dbraw/zinc/17/35/45/158173545.db2.gz RHCIZPVWAUKTCY-WBMJQRKESA-N 0 0 318.373 0.868 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3nccnc3c2)c1 ZINC000118132648 158175947 /nfs/dbraw/zinc/17/59/47/158175947.db2.gz GNJKLQJCCNRCRC-UHFFFAOYSA-N 0 0 324.344 0.890 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000118686640 158177603 /nfs/dbraw/zinc/17/76/03/158177603.db2.gz NJNQFUOPRRMGSD-NSHDSACASA-N 0 0 310.375 0.548 10 0 DCAERN CN(C)[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccco1 ZINC000118756017 158179673 /nfs/dbraw/zinc/17/96/73/158179673.db2.gz KHYFFOTUPQHRMC-SNVBAGLBSA-N 0 0 322.365 0.329 10 0 DCAERN CCN(C[C@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119169107 158183732 /nfs/dbraw/zinc/18/37/32/158183732.db2.gz NAOSIVJDTTZRIJ-RYUDHWBXSA-N 0 0 313.485 0.812 10 0 DCAERN COCCCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120064529 158193755 /nfs/dbraw/zinc/19/37/55/158193755.db2.gz WUTQDMHASHPTLH-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC(n2cncn2)CC1 ZINC000120420160 158198274 /nfs/dbraw/zinc/19/82/74/158198274.db2.gz LYRBCBFGIIYQKZ-NSHDSACASA-N 0 0 312.395 0.266 10 0 DCAERN Cc1csc([C@@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)n1 ZINC000120913099 158205725 /nfs/dbraw/zinc/20/57/25/158205725.db2.gz RNUUPDGBXQLLID-ZDUSSCGKSA-N 0 0 324.450 0.599 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000121340944 158210509 /nfs/dbraw/zinc/21/05/09/158210509.db2.gz OLANFOBXXCHDKA-QWHCGFSZSA-N 0 0 305.444 0.226 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000121560884 158211597 /nfs/dbraw/zinc/21/15/97/158211597.db2.gz LZRBSOYZCMCGGQ-NSHDSACASA-N 0 0 304.354 0.745 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000121745126 158214632 /nfs/dbraw/zinc/21/46/32/158214632.db2.gz FVBKVUXJMGIJHU-NEPJUHHUSA-N 0 0 316.423 0.281 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CNC(=O)c1ccsc1 ZINC000121841121 158214980 /nfs/dbraw/zinc/21/49/80/158214980.db2.gz YPYGRHASOQXIMV-GFCCVEGCSA-N 0 0 310.375 0.684 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CCO)C2)cc1 ZINC000122838272 158223820 /nfs/dbraw/zinc/22/38/20/158223820.db2.gz RHTNGLWUIKDFAI-NSHDSACASA-N 0 0 313.375 0.866 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCCN1CCCC1=O)C1CCCC1 ZINC000123106052 158227375 /nfs/dbraw/zinc/22/73/75/158227375.db2.gz HGUGVCPRUAIDJO-OAHLLOKOSA-N 0 0 309.410 0.810 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000123222579 158228207 /nfs/dbraw/zinc/22/82/07/158228207.db2.gz CLVBPPUQIBZGLD-UHFFFAOYSA-N 0 0 301.346 0.548 10 0 DCAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)N1CCCCCC1 ZINC000123657333 158232525 /nfs/dbraw/zinc/23/25/25/158232525.db2.gz PNLDWKRPOGQVPW-AWEZNQCLSA-N 0 0 317.455 0.560 10 0 DCAERN Cn1ncc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1-n1cccc1 ZINC000124140143 158237857 /nfs/dbraw/zinc/23/78/57/158237857.db2.gz AIZIQSGSAMZXHQ-UONOGXRCSA-N 0 0 315.377 0.366 10 0 DCAERN Cc1cnc(CCN(C)C(=O)CCN2C(=O)CCC2=O)s1 ZINC000124293642 158241046 /nfs/dbraw/zinc/24/10/46/158241046.db2.gz NZRPGMMVIQWDFW-UHFFFAOYSA-N 0 0 309.391 0.992 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000124318944 158241259 /nfs/dbraw/zinc/24/12/59/158241259.db2.gz CDUGODSBEGPLMB-OCCSQVGLSA-N 0 0 312.410 0.824 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H]1CCCC[C@@H]1CO ZINC000124546705 158243610 /nfs/dbraw/zinc/24/36/10/158243610.db2.gz XAWIBZDKXDCVPI-GRYCIOLGSA-N 0 0 304.412 0.414 10 0 DCAERN Cc1ccccc1-c1nc(CN2CCO[C@@H](C(N)=O)C2)no1 ZINC000124847355 158247557 /nfs/dbraw/zinc/24/75/57/158247557.db2.gz WGUGBFNOUCEAJV-GFCCVEGCSA-N 0 0 302.334 0.731 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCN1CC(F)F ZINC000125164077 158251964 /nfs/dbraw/zinc/25/19/64/158251964.db2.gz WIIWKGKGPTVZEI-JTQLQIEISA-N 0 0 314.336 0.582 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCN1CC(F)F ZINC000125163849 158252540 /nfs/dbraw/zinc/25/25/40/158252540.db2.gz WIIWKGKGPTVZEI-SNVBAGLBSA-N 0 0 314.336 0.582 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000125343716 158253577 /nfs/dbraw/zinc/25/35/77/158253577.db2.gz PNDJUXKDYWBRHQ-RYUDHWBXSA-N 0 0 318.439 0.560 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000125629041 158258005 /nfs/dbraw/zinc/25/80/05/158258005.db2.gz ZGMANBXUAQKCBF-UHFFFAOYSA-N 0 0 324.381 0.857 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@H](c3ccco3)C2)CCC1=O ZINC000126080033 158261812 /nfs/dbraw/zinc/26/18/12/158261812.db2.gz GFQYZTAQPHTENK-AAEUAGOBSA-N 0 0 307.350 0.983 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1Cc1cnn(-c2ccccc2)n1 ZINC000126310997 158265362 /nfs/dbraw/zinc/26/53/62/158265362.db2.gz KVEYHXCXNBDJHJ-OAHLLOKOSA-N 0 0 313.317 0.478 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCC(=O)Nc2cc(F)ccc21 ZINC000126889588 158269155 /nfs/dbraw/zinc/26/91/55/158269155.db2.gz DGFJPGXULYTSIK-GFCCVEGCSA-N 0 0 321.352 0.958 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000127023107 158270164 /nfs/dbraw/zinc/27/01/64/158270164.db2.gz BPZOTAAIQOPMLE-ZDUSSCGKSA-N 0 0 321.421 0.906 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(=O)n(C)n3)[C@H]2C1 ZINC000127144197 158270976 /nfs/dbraw/zinc/27/09/76/158270976.db2.gz TWIOLTTZOSTVTG-KGYLQXTDSA-N 0 0 307.350 0.189 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@@]2(CCO)CCOC2)n1 ZINC000127386619 158272563 /nfs/dbraw/zinc/27/25/63/158272563.db2.gz YINOCNMYRQAVGJ-MRXNPFEDSA-N 0 0 324.425 0.978 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)NS(C)(=O)=O)CCO2)o1 ZINC000127411631 158272688 /nfs/dbraw/zinc/27/26/88/158272688.db2.gz DDCFVBVQCBEPIL-ZYHUDNBSSA-N 0 0 316.379 0.426 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000128609785 158282100 /nfs/dbraw/zinc/28/21/00/158282100.db2.gz OXAOHRIBNQDFQY-SNVBAGLBSA-N 0 0 317.436 0.788 10 0 DCAERN CCn1nccc1/C=C/C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000129287915 158287154 /nfs/dbraw/zinc/28/71/54/158287154.db2.gz IPDPJUITUIQPCA-NFAHFFEMSA-N 0 0 304.394 0.896 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)CCc1ccccc1O ZINC000129442576 158289097 /nfs/dbraw/zinc/28/90/97/158289097.db2.gz MCTBQKSLPRGIGN-UHFFFAOYSA-N 0 0 308.378 0.888 10 0 DCAERN COCCS(=O)(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000129712813 158291306 /nfs/dbraw/zinc/29/13/06/158291306.db2.gz IDJSIEQZVLDQSB-NSHDSACASA-N 0 0 310.379 0.894 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000131222359 158300300 /nfs/dbraw/zinc/30/03/00/158300300.db2.gz VFKPQOXINUAUOF-UWVGGRQHSA-N 0 0 320.436 0.550 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000132685796 158312649 /nfs/dbraw/zinc/31/26/49/158312649.db2.gz QPVLTZAIVSVFQB-ZDUSSCGKSA-N 0 0 300.380 0.901 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000132688576 158313239 /nfs/dbraw/zinc/31/32/39/158313239.db2.gz CZBICIXITBRNSZ-VXGBXAGGSA-N 0 0 322.413 0.610 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H]2OCCC[C@H]2C1)NCC(F)(F)F ZINC000133753242 158322191 /nfs/dbraw/zinc/32/21/91/158322191.db2.gz AJHYJDVIEMHVEG-UWVGGRQHSA-N 0 0 323.315 0.875 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000134016431 158322903 /nfs/dbraw/zinc/32/29/03/158322903.db2.gz VQYZQIUVKYGXFB-GFCCVEGCSA-N 0 0 319.409 0.845 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000133961252 158323511 /nfs/dbraw/zinc/32/35/11/158323511.db2.gz GCDJNMIBOYIACE-HNNXBMFYSA-N 0 0 322.409 0.903 10 0 DCAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000134364452 158327292 /nfs/dbraw/zinc/32/72/92/158327292.db2.gz BKBOLEKPCZFUEP-HZSPNIEDSA-N 0 0 322.409 0.023 10 0 DCAERN CC(C)[C@H](NC(=O)NC1CCN(c2ccccn2)CC1)C(N)=O ZINC000134756567 158331277 /nfs/dbraw/zinc/33/12/77/158331277.db2.gz VUUBDJHMSKEVCK-AWEZNQCLSA-N 0 0 319.409 0.860 10 0 DCAERN CCOCCCNC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000136251607 158342742 /nfs/dbraw/zinc/34/27/42/158342742.db2.gz YLHUZEKCFRKTCJ-NSHDSACASA-N 0 0 311.386 0.877 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000137343805 158345642 /nfs/dbraw/zinc/34/56/42/158345642.db2.gz QTKHSFCXZGTZFX-UHFFFAOYSA-N 0 0 312.366 0.991 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000150792216 158348074 /nfs/dbraw/zinc/34/80/74/158348074.db2.gz IEYDIEHGTPUPHI-NEPJUHHUSA-N 0 0 308.382 0.576 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000164946854 158363768 /nfs/dbraw/zinc/36/37/68/158363768.db2.gz HOPDDMFRXUCCTO-BETUJISGSA-N 0 0 307.394 0.912 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000165783343 158366313 /nfs/dbraw/zinc/36/63/13/158366313.db2.gz IUTHARAQVNAXDI-YPMHNXCESA-N 0 0 304.412 0.368 10 0 DCAERN CCNC(=O)NC1(C(=O)NC[C@@H]2CN(C)CCO2)CCCC1 ZINC000170683703 158375894 /nfs/dbraw/zinc/37/58/94/158375894.db2.gz BFEFSUDYYKPDRH-GFCCVEGCSA-N 0 0 312.414 0.065 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCSC(F)(F)F)C1 ZINC000170922565 158378137 /nfs/dbraw/zinc/37/81/37/158378137.db2.gz NANCAVAOVKGAMH-QMMMGPOBSA-N 0 0 301.334 0.869 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)c2cccc3ncccc32)C1 ZINC000171094264 158379301 /nfs/dbraw/zinc/37/93/01/158379301.db2.gz BKSZHTFMZKNBBE-GFCCVEGCSA-N 0 0 321.402 0.844 10 0 DCAERN CCCNC(=O)CCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171192445 158381181 /nfs/dbraw/zinc/38/11/81/158381181.db2.gz VWEAVAQFABURNK-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)Cc1cn3ccsc3n1)CC2 ZINC000171329069 158381644 /nfs/dbraw/zinc/38/16/44/158381644.db2.gz ZWOQFZSIWXUFIW-JTQLQIEISA-N 0 0 316.390 0.969 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1C ZINC000171650351 158385523 /nfs/dbraw/zinc/38/55/23/158385523.db2.gz NQBMTKZZZIGVND-CYBMUJFWSA-N 0 0 303.362 0.462 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCc1cccnc1-n1cccn1 ZINC000171710690 158386381 /nfs/dbraw/zinc/38/63/81/158386381.db2.gz KQTWVCFVQFLGDF-NSHDSACASA-N 0 0 314.349 0.297 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000171701226 158386640 /nfs/dbraw/zinc/38/66/40/158386640.db2.gz KTSYGNDYWXDPAA-OLZOCXBDSA-N 0 0 322.413 0.785 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)c1cnn(C)c1 ZINC000171837350 158387687 /nfs/dbraw/zinc/38/76/87/158387687.db2.gz NZILWUCLECIEQP-LBPRGKRZSA-N 0 0 306.366 0.462 10 0 DCAERN CC(C)n1ccc(CN2CCCN(S(C)(=O)=O)CC2)n1 ZINC000172011413 158389602 /nfs/dbraw/zinc/38/96/02/158389602.db2.gz HHKQXIYRWAISNJ-UHFFFAOYSA-N 0 0 300.428 0.931 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)C(C)C)CC2 ZINC000172041285 158390233 /nfs/dbraw/zinc/39/02/33/158390233.db2.gz IHHFBUSCZFETCQ-XHDPSFHLSA-N 0 0 309.414 0.862 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCCN1CCCC[C@H]1C ZINC000172133779 158390903 /nfs/dbraw/zinc/39/09/03/158390903.db2.gz NYQXHKXCAUSVTB-NWDGAFQWSA-N 0 0 305.444 0.593 10 0 DCAERN O=C(NCCn1cccn1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172311088 158392840 /nfs/dbraw/zinc/39/28/40/158392840.db2.gz WOFOJAYCAIKNLK-CYBMUJFWSA-N 0 0 315.381 0.641 10 0 DCAERN NS(=O)(=O)CCCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000172260771 158393457 /nfs/dbraw/zinc/39/34/57/158393457.db2.gz RNJVFCLQYOZWRQ-SECBINFHSA-N 0 0 318.424 0.225 10 0 DCAERN NC(=O)COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000172359584 158394279 /nfs/dbraw/zinc/39/42/79/158394279.db2.gz HKDWKQNOOMGIFL-OCZCAGDBSA-N 0 0 318.373 0.784 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)N1CCC[C@H]1CO ZINC000172471015 158395031 /nfs/dbraw/zinc/39/50/31/158395031.db2.gz AQWIIBBURMLZMW-ZDUSSCGKSA-N 0 0 301.350 0.934 10 0 DCAERN COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000172532226 158395087 /nfs/dbraw/zinc/39/50/87/158395087.db2.gz GQGOALRFITWKIG-NEPJUHHUSA-N 0 0 306.366 0.934 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172449188 158395098 /nfs/dbraw/zinc/39/50/98/158395098.db2.gz OQIVHWFKEGCJIN-QWRGUYRKSA-N 0 0 311.407 0.769 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)CC2 ZINC000172548352 158395640 /nfs/dbraw/zinc/39/56/40/158395640.db2.gz AVDSORFIYOYBJC-WDEREUQCSA-N 0 0 322.413 0.492 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000172548218 158395786 /nfs/dbraw/zinc/39/57/86/158395786.db2.gz MKXCJKDUTMTYQR-ZYHUDNBSSA-N 0 0 310.398 0.389 10 0 DCAERN CC(C)[C@H](C)CNC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000172578594 158396012 /nfs/dbraw/zinc/39/60/12/158396012.db2.gz SMPZUTROJRHZDE-SNVBAGLBSA-N 0 0 302.400 0.329 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](C2OCCO2)C1 ZINC000172602900 158396583 /nfs/dbraw/zinc/39/65/83/158396583.db2.gz DTCCKZMPWPBUFU-NWDGAFQWSA-N 0 0 321.381 0.387 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2F)C1 ZINC000172651471 158397827 /nfs/dbraw/zinc/39/78/27/158397827.db2.gz ABNDWWRYVHCZPX-NXEZZACHSA-N 0 0 307.325 0.925 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C)c2)n1 ZINC000172683883 158398255 /nfs/dbraw/zinc/39/82/55/158398255.db2.gz JKKKVMHFFKJXAY-UHFFFAOYSA-N 0 0 301.302 0.977 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747986 158398360 /nfs/dbraw/zinc/39/83/60/158398360.db2.gz RFCWLIOWFSXODT-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747990 158398867 /nfs/dbraw/zinc/39/88/67/158398867.db2.gz RFCWLIOWFSXODT-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN CCN1CCO[C@H](C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 ZINC000172729025 158398942 /nfs/dbraw/zinc/39/89/42/158398942.db2.gz SAUJKNGEZRMXJJ-ZDUSSCGKSA-N 0 0 320.393 0.556 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Cn1nnnc1C(C)C)CC2 ZINC000174240659 158415791 /nfs/dbraw/zinc/41/57/91/158415791.db2.gz RKOPLDNNTXWSTN-SNVBAGLBSA-N 0 0 318.385 0.082 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000175312221 158426606 /nfs/dbraw/zinc/42/66/06/158426606.db2.gz WFVLCYCESPTUJW-ZDUSSCGKSA-N 0 0 309.366 0.905 10 0 DCAERN O=C(c1ncncc1Cl)N1CCN(c2cnccn2)CC1 ZINC000175386765 158426626 /nfs/dbraw/zinc/42/66/26/158426626.db2.gz LFRCSTNAMFHDKR-UHFFFAOYSA-N 0 0 304.741 0.882 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000176496048 158438055 /nfs/dbraw/zinc/43/80/55/158438055.db2.gz DSQNPAJNXMYGGB-LLVKDONJSA-N 0 0 305.382 0.967 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000178730014 158463490 /nfs/dbraw/zinc/46/34/90/158463490.db2.gz KTTUIPAXXRNLLS-LBPRGKRZSA-N 0 0 312.391 0.591 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(OC)ncn1)CC2 ZINC000182206991 158490672 /nfs/dbraw/zinc/49/06/72/158490672.db2.gz HFRDBCPAHOMHRA-VIFPVBQESA-N 0 0 317.353 0.776 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)CC1CCCCC1 ZINC000182835427 158493720 /nfs/dbraw/zinc/49/37/20/158493720.db2.gz LTUCFCXJBACCAL-INIZCTEOSA-N 0 0 314.426 0.977 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)on1 ZINC000183976206 158503360 /nfs/dbraw/zinc/50/33/60/158503360.db2.gz HYPDBRDMKMGLAG-SNVBAGLBSA-N 0 0 305.338 0.816 10 0 DCAERN CNC(=O)CC(=O)Nc1cc(-c2cccs2)nn1CCO ZINC000184931511 158512216 /nfs/dbraw/zinc/51/22/16/158512216.db2.gz OUXUKGVNKWCQPD-UHFFFAOYSA-N 0 0 308.363 0.679 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1Cc1nnnn1-c1ccccc1 ZINC000185953930 158526130 /nfs/dbraw/zinc/52/61/30/158526130.db2.gz RPBHESCQLNDUMQ-HNNXBMFYSA-N 0 0 300.366 0.892 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000187930397 158541339 /nfs/dbraw/zinc/54/13/39/158541339.db2.gz SVVYALRFNRHZBE-SNVBAGLBSA-N 0 0 301.412 0.174 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)cc1F ZINC000189544144 158552893 /nfs/dbraw/zinc/55/28/93/158552893.db2.gz WNQZOKGUSLMRNN-GFCCVEGCSA-N 0 0 309.341 0.953 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000190669412 158562128 /nfs/dbraw/zinc/56/21/28/158562128.db2.gz ZXZSEIWPWOMCHY-LLVKDONJSA-N 0 0 315.373 0.851 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000190673830 158562480 /nfs/dbraw/zinc/56/24/80/158562480.db2.gz ABCCCEATOSTBTI-VIFPVBQESA-N 0 0 315.333 0.238 10 0 DCAERN COC[C@H](C)N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000193892540 158590200 /nfs/dbraw/zinc/59/02/00/158590200.db2.gz LSQSJSRCEXQIAG-VIFPVBQESA-N 0 0 314.363 0.787 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000194609434 158598300 /nfs/dbraw/zinc/59/83/00/158598300.db2.gz UVTXXYVFENTCPP-GFCCVEGCSA-N 0 0 318.439 0.181 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)O1 ZINC000245961372 158655694 /nfs/dbraw/zinc/65/56/94/158655694.db2.gz CUMKXKVTEGOTTA-AGIUHOORSA-N 0 0 318.439 0.874 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cn1 ZINC000247484922 158683598 /nfs/dbraw/zinc/68/35/98/158683598.db2.gz RENOBJAMEPNYFA-YNEHKIRRSA-N 0 0 306.366 0.915 10 0 DCAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC(F)(F)CN1 ZINC000263097206 158856133 /nfs/dbraw/zinc/85/61/33/158856133.db2.gz YZKFVUPVUKLFDP-RKDXNWHRSA-N 0 0 315.286 0.984 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@H]1CCO[C@H]1C ZINC000329200221 292399764 /nfs/dbraw/zinc/39/97/64/292399764.db2.gz VEOJNXUGCSMMSE-XUXIUFHCSA-N 0 0 300.399 0.358 10 0 DCAERN O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CC(F)(F)CN1 ZINC000263303419 158871387 /nfs/dbraw/zinc/87/13/87/158871387.db2.gz XJBTVONKQSXRQF-LLVKDONJSA-N 0 0 309.316 0.689 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000276491977 158939995 /nfs/dbraw/zinc/93/99/95/158939995.db2.gz NVVKYFZXVJNPJG-GFCCVEGCSA-N 0 0 304.680 0.681 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000313955795 158997756 /nfs/dbraw/zinc/99/77/56/158997756.db2.gz DTHIPRCIVYUWKC-XHDPSFHLSA-N 0 0 306.387 0.715 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000328599010 159013637 /nfs/dbraw/zinc/01/36/37/159013637.db2.gz BPBIYDSCGZDFGY-LBPRGKRZSA-N 0 0 301.350 0.856 10 0 DCAERN CCS(=O)(=O)C1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000328611926 159015546 /nfs/dbraw/zinc/01/55/46/159015546.db2.gz OWKBFKILAUHYAY-CYBMUJFWSA-N 0 0 300.424 0.649 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328638214 159016714 /nfs/dbraw/zinc/01/67/14/159016714.db2.gz DCUOFHWZBHGRFG-WDEREUQCSA-N 0 0 317.411 0.555 10 0 DCAERN O=S(=O)(NC1(C(F)F)CC1)c1cnn([C@H]2CCOC2)c1 ZINC000328639198 159016983 /nfs/dbraw/zinc/01/69/83/159016983.db2.gz DQFACGFQCVNCPI-QMMMGPOBSA-N 0 0 307.322 0.921 10 0 DCAERN CN1C[C@H](C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)CC1=O ZINC000328653735 159017478 /nfs/dbraw/zinc/01/74/78/159017478.db2.gz LHRSKVAWWAYAPH-TZMCWYRMSA-N 0 0 305.353 0.777 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000328671821 159019472 /nfs/dbraw/zinc/01/94/72/159019472.db2.gz HPDYHONBAJINFC-ZDUSSCGKSA-N 0 0 304.346 0.839 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)[nH]1 ZINC000328730088 159025102 /nfs/dbraw/zinc/02/51/02/159025102.db2.gz HTVVQMUNSXZNPV-NSHDSACASA-N 0 0 302.338 0.574 10 0 DCAERN CN(C(=O)C[C@@H]1CCCCNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000328745719 159025860 /nfs/dbraw/zinc/02/58/60/159025860.db2.gz AGUANYAKWIBQMH-QWRGUYRKSA-N 0 0 302.396 0.779 10 0 DCAERN C[C@@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1=O ZINC000328750159 159026517 /nfs/dbraw/zinc/02/65/17/159026517.db2.gz QKJUKNHGACJOHJ-RYUDHWBXSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@H](CC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)N1CCCCC1=O ZINC000328755031 159027233 /nfs/dbraw/zinc/02/72/33/159027233.db2.gz SQKPMVKQDTZIQY-MGPQQGTHSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@H](CC(=O)N1CC(=O)N(CC2CC2)C1)N1CCCCC1=O ZINC000328790866 159029747 /nfs/dbraw/zinc/02/97/47/159029747.db2.gz YZZCMZJCIXZBQN-LBPRGKRZSA-N 0 0 307.394 0.816 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328872602 159037383 /nfs/dbraw/zinc/03/73/83/159037383.db2.gz DWYGTZCTRGSAGB-WDEREUQCSA-N 0 0 307.354 0.994 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000328943798 159044795 /nfs/dbraw/zinc/04/47/95/159044795.db2.gz ANJFNKALHBDJLU-UONOGXRCSA-N 0 0 320.393 0.937 10 0 DCAERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)COC[C@@H]1CCOC1 ZINC000329009167 159051684 /nfs/dbraw/zinc/05/16/84/159051684.db2.gz ZWUWYEGOCRYEMD-ZIAGYGMSSA-N 0 0 323.393 0.980 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCN(C2CC2)CC1)n1cccn1 ZINC000329027616 159053576 /nfs/dbraw/zinc/05/35/76/159053576.db2.gz KEWMNIBDZQVWEF-CYBMUJFWSA-N 0 0 319.409 0.209 10 0 DCAERN Cc1nc(CN(C)C(=O)CCN2CCCS2(=O)=O)cs1 ZINC000329032523 159054205 /nfs/dbraw/zinc/05/42/05/159054205.db2.gz LTBXDWFGKBELET-UHFFFAOYSA-N 0 0 317.436 0.836 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@@H]2c2nc[nH]n2)n1 ZINC000329071537 159057764 /nfs/dbraw/zinc/05/77/64/159057764.db2.gz NVKZXXMGBUDHAU-LLVKDONJSA-N 0 0 303.322 0.351 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000329143107 159066211 /nfs/dbraw/zinc/06/62/11/159066211.db2.gz VKAWBFPYUSYMBI-CZUORRHYSA-N 0 0 320.393 0.109 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C[C@@H](O)Cn1cccn1 ZINC000329150770 159067826 /nfs/dbraw/zinc/06/78/26/159067826.db2.gz RWEKUFXJOATJGM-HUUCEWRRSA-N 0 0 319.409 0.668 10 0 DCAERN Cc1nccc(CCC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000329210661 159072932 /nfs/dbraw/zinc/07/29/32/159072932.db2.gz ZSEVQPHQKALVTL-HUUCEWRRSA-N 0 0 304.394 0.649 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(=O)[nH]c1=O ZINC000329213479 159074190 /nfs/dbraw/zinc/07/41/90/159074190.db2.gz JNIMIWCVYVKHMH-SECBINFHSA-N 0 0 320.374 0.962 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)N1CC(O)(C2CC2)C1 ZINC000329265746 159077803 /nfs/dbraw/zinc/07/78/03/159077803.db2.gz CLVPDWVHRFRDHP-UHFFFAOYSA-N 0 0 313.357 0.688 10 0 DCAERN Cc1ccc([C@]2(C)NC(=O)N(Cc3nc(=O)n(C)[nH]3)C2=O)cc1 ZINC000329315518 159082031 /nfs/dbraw/zinc/08/20/31/159082031.db2.gz BAMDJRLWKMVORD-HNNXBMFYSA-N 0 0 315.333 0.588 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC000329339464 159084085 /nfs/dbraw/zinc/08/40/85/159084085.db2.gz NSFJFVDZEAEDRI-GHMZBOCLSA-N 0 0 321.381 0.462 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2cc[nH]n2)O1 ZINC000329352009 159084676 /nfs/dbraw/zinc/08/46/76/159084676.db2.gz UIXKEEYUPLHJEC-UPJWGTAASA-N 0 0 306.366 0.709 10 0 DCAERN CCC1(CC)CN(C(=O)Cc2cncnc2)CCS1(=O)=O ZINC000329444692 159093030 /nfs/dbraw/zinc/09/30/30/159093030.db2.gz BFMLXBPMDIBVMT-UHFFFAOYSA-N 0 0 311.407 0.835 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnn2cccnc12 ZINC000329554373 159101528 /nfs/dbraw/zinc/10/15/28/159101528.db2.gz GRWJBZANRJQOPQ-TZMCWYRMSA-N 0 0 315.377 0.665 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)nn1 ZINC000329581166 159104988 /nfs/dbraw/zinc/10/49/88/159104988.db2.gz VBWOSNDVHJQGRP-OIMNJJJWSA-N 0 0 308.382 0.983 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000329602708 159106758 /nfs/dbraw/zinc/10/67/58/159106758.db2.gz FYYNYWFWIKVXDT-LLVKDONJSA-N 0 0 323.378 0.287 10 0 DCAERN COc1coc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cc1=O ZINC000329641162 159108319 /nfs/dbraw/zinc/10/83/19/159108319.db2.gz CMKDOGHTPSDWBC-VXGBXAGGSA-N 0 0 322.361 0.584 10 0 DCAERN CN1CCN(C(=O)Cc2noc([C@H]3CCCN3C3CC3)n2)CC1 ZINC000329669697 159110659 /nfs/dbraw/zinc/11/06/59/159110659.db2.gz MLODVJCMPYQMEB-CYBMUJFWSA-N 0 0 319.409 0.685 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCCO2)O1 ZINC000329715672 159114205 /nfs/dbraw/zinc/11/42/05/159114205.db2.gz VHHLATZJJPGESJ-DGAVXFQQSA-N 0 0 310.394 0.792 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329728802 159115223 /nfs/dbraw/zinc/11/52/23/159115223.db2.gz FQSLWRRHXAQDNL-OUCADQQQSA-N 0 0 302.378 0.920 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@@H]1N1CCOCC1 ZINC000329754187 159117387 /nfs/dbraw/zinc/11/73/87/159117387.db2.gz XDLFWMVQOIHVOU-ILXRZTDVSA-N 0 0 323.437 0.424 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@@H]1CCOC1 ZINC000329793379 159120026 /nfs/dbraw/zinc/12/00/26/159120026.db2.gz VMZQEAZGPAYZCP-NSHDSACASA-N 0 0 324.402 0.910 10 0 DCAERN CN1CC[C@@H]2OCCN(C(=O)c3snnc3C3CC3)[C@H]2C1 ZINC000329805341 159120797 /nfs/dbraw/zinc/12/07/97/159120797.db2.gz KQSGWSXCVFLRQI-QWRGUYRKSA-N 0 0 308.407 0.961 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000248658169 298233446 /nfs/dbraw/zinc/23/34/46/298233446.db2.gz FWYLQTQMBSCWRS-JGVFFNPUSA-N 0 0 323.358 0.776 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000329862138 159124410 /nfs/dbraw/zinc/12/44/10/159124410.db2.gz QVYBFWNIUHTHGW-DMEJVMROSA-N 0 0 310.394 0.792 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(C3CC3)CC2)c(=O)c1 ZINC000329879013 159125939 /nfs/dbraw/zinc/12/59/39/159125939.db2.gz LQVVJUWBUGMSPG-QGZVFWFLSA-N 0 0 319.405 0.214 10 0 DCAERN CN(Cc1cn(C)nn1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000329954861 159131260 /nfs/dbraw/zinc/13/12/60/159131260.db2.gz NZXBPLWAPRRJFG-JSGCOSHPSA-N 0 0 319.388 0.650 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCO[C@@]4(CCOC4)C3)cnc21 ZINC000329957174 159132102 /nfs/dbraw/zinc/13/21/02/159132102.db2.gz PIEAPXOJZTZOFM-HNNXBMFYSA-N 0 0 302.334 0.600 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCCNC(=O)[C@H]1C)n1cccn1 ZINC000329975160 159132960 /nfs/dbraw/zinc/13/29/60/159132960.db2.gz DMTDBJKRNZPMCY-NEPJUHHUSA-N 0 0 321.381 0.480 10 0 DCAERN C[C@H](CC(=O)N(C)CCN1CCOCC1)N1CCCCC1=O ZINC000330034317 159137210 /nfs/dbraw/zinc/13/72/10/159137210.db2.gz WHEJZSGYACTMIA-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3ccncc23)C[C@@H]1C ZINC000330095065 159141773 /nfs/dbraw/zinc/14/17/73/159141773.db2.gz UUWWHTMFZUJBFD-RYUDHWBXSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3ccncc23)C[C@H]1C ZINC000330095063 159142024 /nfs/dbraw/zinc/14/20/24/159142024.db2.gz UUWWHTMFZUJBFD-NEPJUHHUSA-N 0 0 303.366 0.256 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)C3(O)CCOCC3)CCO2)cn1 ZINC000330156607 159146386 /nfs/dbraw/zinc/14/63/86/159146386.db2.gz OWBYFNLOTBZIPK-CYBMUJFWSA-N 0 0 309.366 0.344 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(Cc2ccon2)CC1 ZINC000330225131 159151311 /nfs/dbraw/zinc/15/13/11/159151311.db2.gz AYOHCPOLJQNSDP-UHFFFAOYSA-N 0 0 314.411 0.569 10 0 DCAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CN2CCCCC2=O)C1 ZINC000330234287 159152198 /nfs/dbraw/zinc/15/21/98/159152198.db2.gz YHKCLQZIKIFIIY-RYUDHWBXSA-N 0 0 322.365 0.679 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000330255958 159154513 /nfs/dbraw/zinc/15/45/13/159154513.db2.gz BMUNEUDRFDNMMR-YNEHKIRRSA-N 0 0 300.424 0.568 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)C1 ZINC000330254719 159154521 /nfs/dbraw/zinc/15/45/21/159154521.db2.gz AYXFSFYBJGJXTM-XUJVJEKNSA-N 0 0 320.393 0.495 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H]1CCCNC1=O)CCC2 ZINC000332679232 159211148 /nfs/dbraw/zinc/21/11/48/159211148.db2.gz GFIRTJPFQOVZBA-NEPJUHHUSA-N 0 0 305.382 0.647 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000332797698 159213800 /nfs/dbraw/zinc/21/38/00/159213800.db2.gz RXPCDUHWUVWWFV-IGQOVBAYSA-N 0 0 314.451 0.800 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)O1 ZINC000332812923 159214138 /nfs/dbraw/zinc/21/41/38/159214138.db2.gz PJMCDHADKHNOJR-XGFWRYKXSA-N 0 0 310.394 0.696 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@@]12CCCO2 ZINC000332849139 159215700 /nfs/dbraw/zinc/21/57/00/159215700.db2.gz RJHGIXBPJMEETO-NAYUARGSSA-N 0 0 312.366 0.912 10 0 DCAERN CN1CC[C@@H](C(=O)NC[C@@H]2CCCN2c2cccnn2)CC1=O ZINC000332891830 159216662 /nfs/dbraw/zinc/21/66/62/159216662.db2.gz VNWOWUMAOVIHAG-OLZOCXBDSA-N 0 0 317.393 0.430 10 0 DCAERN C[C@@H](NC(=O)NCCCc1nnc2ccccn21)C(=O)N(C)C ZINC000361417486 159272010 /nfs/dbraw/zinc/27/20/10/159272010.db2.gz XBDHIAKEICFAHL-LLVKDONJSA-N 0 0 318.381 0.438 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC(C2CCOCC2)CC1 ZINC000366923204 159297885 /nfs/dbraw/zinc/29/78/85/159297885.db2.gz PGRAAQKFXXJBCW-UHFFFAOYSA-N 0 0 318.439 0.591 10 0 DCAERN CN(CCCO)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000367011615 159304289 /nfs/dbraw/zinc/30/42/89/159304289.db2.gz SPYUKLWNYBVNGV-GFCCVEGCSA-N 0 0 320.393 0.388 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000367016839 159304331 /nfs/dbraw/zinc/30/43/31/159304331.db2.gz SRGGKJZDIKRRJP-WWGRRREGSA-N 0 0 309.410 0.977 10 0 DCAERN Cc1ncc(CNC(=O)C2=C(C)N(C)c3nnnn3C2)s1 ZINC000367388617 159335836 /nfs/dbraw/zinc/33/58/36/159335836.db2.gz QESIJWCAMVWZDM-UHFFFAOYSA-N 0 0 305.367 0.478 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC(F)(F)C[C@@H]2CO)nc1 ZINC000368721575 159413682 /nfs/dbraw/zinc/41/36/82/159413682.db2.gz ITHPUHYXQYJSGJ-MRVPVSSYSA-N 0 0 307.322 0.196 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000369389603 159455721 /nfs/dbraw/zinc/45/57/21/159455721.db2.gz QLKHZIGJTHRWKW-ZFWWWQNUSA-N 0 0 306.362 0.272 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000369976718 159490541 /nfs/dbraw/zinc/49/05/41/159490541.db2.gz MCHAVUUGLCHALB-CQSZACIVSA-N 0 0 303.353 0.654 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCC[C@H](C)C2)n1 ZINC000372390213 159620622 /nfs/dbraw/zinc/62/06/22/159620622.db2.gz RMCWTRVDBYGSRZ-CYZMBNFOSA-N 0 0 308.382 0.744 10 0 DCAERN Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000372541051 159629799 /nfs/dbraw/zinc/62/97/99/159629799.db2.gz ZOZQJZPUZPSFED-LLVKDONJSA-N 0 0 301.350 0.805 10 0 DCAERN Cc1nc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)CCO2)no1 ZINC000373075678 159660125 /nfs/dbraw/zinc/66/01/25/159660125.db2.gz XZOAYQUBARYAJK-PWSUYJOCSA-N 0 0 322.365 0.536 10 0 DCAERN C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000376154170 159840825 /nfs/dbraw/zinc/84/08/25/159840825.db2.gz DCEPLAHSZZNAGT-DZGCQCFKSA-N 0 0 318.373 0.809 10 0 DCAERN CN(C)S(=O)(=O)CCCN1C(=O)[C@H]2CCCCN2C1=O ZINC000407951772 159994945 /nfs/dbraw/zinc/99/49/45/159994945.db2.gz TVFCFLVYNPLTHG-SNVBAGLBSA-N 0 0 303.384 0.085 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)O1 ZINC000407956490 159996382 /nfs/dbraw/zinc/99/63/82/159996382.db2.gz JERGWUMHFBNHDD-NXEZZACHSA-N 0 0 305.400 0.016 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000407968611 159999054 /nfs/dbraw/zinc/99/90/54/159999054.db2.gz VRDWKKZKTZUJKL-YNEHKIRRSA-N 0 0 316.467 0.759 10 0 DCAERN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407968566 159999194 /nfs/dbraw/zinc/99/91/94/159999194.db2.gz GOAMZODGEQNJEM-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000407971978 160000265 /nfs/dbraw/zinc/00/02/65/160000265.db2.gz KJQXEEXMBNAIPG-LBPRGKRZSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000407975174 160000692 /nfs/dbraw/zinc/00/06/92/160000692.db2.gz WFAGPXNCNGMFCQ-UTUOFQBUSA-N 0 0 304.412 0.471 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407976209 160001018 /nfs/dbraw/zinc/00/10/18/160001018.db2.gz ZEVKKFRNMKAGRN-GHMZBOCLSA-N 0 0 321.425 0.840 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000407979108 160001643 /nfs/dbraw/zinc/00/16/43/160001643.db2.gz PEWOFBJAQGIGII-LSDHHAIUSA-N 0 0 324.469 0.386 10 0 DCAERN CC(C)(C)n1ncnc1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000407983584 160002624 /nfs/dbraw/zinc/00/26/24/160002624.db2.gz RCJCYNZTRSUSFT-JTQLQIEISA-N 0 0 301.416 0.157 10 0 DCAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@H]2CCCNC2=O)CC1 ZINC000407985620 160003635 /nfs/dbraw/zinc/00/36/35/160003635.db2.gz PDMFFEAQBQSLLX-ZDUSSCGKSA-N 0 0 324.425 0.601 10 0 DCAERN CCN1CCN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)C(C)(C)C1=O ZINC000407986581 160003725 /nfs/dbraw/zinc/00/37/25/160003725.db2.gz APXVZMHSVNRANB-UHFFFAOYSA-N 0 0 321.381 0.331 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000407988508 160004275 /nfs/dbraw/zinc/00/42/75/160004275.db2.gz HHPIEZMVYPFJCD-GFCCVEGCSA-N 0 0 308.300 0.771 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000407989167 160004283 /nfs/dbraw/zinc/00/42/83/160004283.db2.gz IHCPYIKBFBNSHS-GHMZBOCLSA-N 0 0 320.397 0.595 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000407991003 160005193 /nfs/dbraw/zinc/00/51/93/160005193.db2.gz RZXHNRZAYKEWBN-VXGBXAGGSA-N 0 0 309.410 0.808 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000407992149 160005269 /nfs/dbraw/zinc/00/52/69/160005269.db2.gz ZSQQQYYWVVOFKN-NWDGAFQWSA-N 0 0 309.410 0.666 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000407990995 160005668 /nfs/dbraw/zinc/00/56/68/160005668.db2.gz RZXHNRZAYKEWBN-NEPJUHHUSA-N 0 0 309.410 0.808 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(O)(CC)C1 ZINC000407995563 160006410 /nfs/dbraw/zinc/00/64/10/160006410.db2.gz KUOWXLZGQUMWHO-GHMZBOCLSA-N 0 0 300.424 0.917 10 0 DCAERN O=C(c1cncc(N2CCOCC2)c1)N1CCn2ccnc2C1 ZINC000408003576 160007742 /nfs/dbraw/zinc/00/77/42/160007742.db2.gz JPIWPNIPRTXADI-UHFFFAOYSA-N 0 0 313.361 0.771 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)n1 ZINC000408001645 160008043 /nfs/dbraw/zinc/00/80/43/160008043.db2.gz QWJDPEZMZWKEGB-DGCLKSJQSA-N 0 0 308.382 0.805 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@@H]1N1CCOCC1 ZINC000408004145 160008672 /nfs/dbraw/zinc/00/86/72/160008672.db2.gz KOSNLSLUIBWYMW-DOMZBBRYSA-N 0 0 305.378 0.970 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000408015886 160012247 /nfs/dbraw/zinc/01/22/47/160012247.db2.gz GJGCZLGSQKIGLA-WOPDTQHZSA-N 0 0 308.444 0.321 10 0 DCAERN CN(C(=O)N(C)C1CCC(CO)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000408017239 160012268 /nfs/dbraw/zinc/01/22/68/160012268.db2.gz LOAKXDRYBMMTKW-BPCQOVAHSA-N 0 0 318.439 0.708 10 0 DCAERN CC[C@@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C[C@H]1O ZINC000408017593 160012366 /nfs/dbraw/zinc/01/23/66/160012366.db2.gz NFNIGMQCSIMRRY-VXGBXAGGSA-N 0 0 303.366 0.513 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000408018214 160013351 /nfs/dbraw/zinc/01/33/51/160013351.db2.gz YVVROAXDWFJQIV-SNVBAGLBSA-N 0 0 302.400 0.944 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408026448 160014624 /nfs/dbraw/zinc/01/46/24/160014624.db2.gz DYYKYLQMPNJLKY-PWSUYJOCSA-N 0 0 319.427 0.229 10 0 DCAERN COC[C@H]1CN(C(=O)[C@H]2CSCN2C(C)=O)CC(C)(C)O1 ZINC000408030920 160016903 /nfs/dbraw/zinc/01/69/03/160016903.db2.gz JGYDXTPOBBNMQV-VXGBXAGGSA-N 0 0 316.423 0.560 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)O1 ZINC000408035308 160018324 /nfs/dbraw/zinc/01/83/24/160018324.db2.gz KKAUVMNRZUDLIY-FRRDWIJNSA-N 0 0 320.393 0.433 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@H](CCO)C1 ZINC000408038684 160019461 /nfs/dbraw/zinc/01/94/61/160019461.db2.gz OWAYAUXEYHOBHW-JHJVBQTASA-N 0 0 308.378 0.393 10 0 DCAERN C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)N1CCOCC1 ZINC000408039194 160019722 /nfs/dbraw/zinc/01/97/22/160019722.db2.gz UTNCLALYTJVUGY-ICIURTGMSA-N 0 0 322.405 0.745 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000408038926 160019831 /nfs/dbraw/zinc/01/98/31/160019831.db2.gz RNYULWPPEACGLL-SECBINFHSA-N 0 0 322.315 0.937 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCO[C@H]3CCC[C@@H]32)cn1 ZINC000408045921 160021485 /nfs/dbraw/zinc/02/14/85/160021485.db2.gz UMMKBQMJSCOMFK-RYUDHWBXSA-N 0 0 307.354 0.414 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 ZINC000408047256 160022785 /nfs/dbraw/zinc/02/27/85/160022785.db2.gz FYPPAAXIMNFMRC-DGCLKSJQSA-N 0 0 304.350 0.288 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408047152 160023094 /nfs/dbraw/zinc/02/30/94/160023094.db2.gz OIVDKBFMYSZADU-IGQOVBAYSA-N 0 0 300.374 0.561 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cnn(C(C)(C)C)c3)CC[C@@H]21 ZINC000408050771 160023871 /nfs/dbraw/zinc/02/38/71/160023871.db2.gz FRMPYNZZXOCGJF-NEPJUHHUSA-N 0 0 305.382 0.876 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000408054444 160024251 /nfs/dbraw/zinc/02/42/51/160024251.db2.gz SFRZOFMNFILXNT-QWHCGFSZSA-N 0 0 309.410 0.762 10 0 DCAERN CCC1(CO)CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408052569 160024452 /nfs/dbraw/zinc/02/44/52/160024452.db2.gz BMECBSUBYBEROZ-MRXNPFEDSA-N 0 0 312.410 0.371 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000408052675 160024478 /nfs/dbraw/zinc/02/44/78/160024478.db2.gz CQYCAXPNGGQIDD-IIAWOOMASA-N 0 0 312.410 0.680 10 0 DCAERN CCn1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000408054946 160025405 /nfs/dbraw/zinc/02/54/05/160025405.db2.gz VCLYVZPOXXCLAK-OLZOCXBDSA-N 0 0 324.356 0.314 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCS[C@@H](C)C2)CC1 ZINC000408067349 160027057 /nfs/dbraw/zinc/02/70/57/160027057.db2.gz KJCQXRDIPIRCTP-JTQLQIEISA-N 0 0 322.452 0.554 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076806 160030209 /nfs/dbraw/zinc/03/02/09/160030209.db2.gz ODDOQGAGHPFLRF-GFCCVEGCSA-N 0 0 317.345 0.758 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c[nH]1 ZINC000408075539 160030355 /nfs/dbraw/zinc/03/03/55/160030355.db2.gz YOXXZDUAZJOQDD-CHWSQXEVSA-N 0 0 307.350 0.346 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@H]3CCO[C@@H](C)C3)nc2n1 ZINC000408077334 160031103 /nfs/dbraw/zinc/03/11/03/160031103.db2.gz WJDZAKBHRQVQMY-RYUDHWBXSA-N 0 0 303.366 0.967 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3CCO[C@@H](C)C3)nc2n1 ZINC000408077333 160031177 /nfs/dbraw/zinc/03/11/77/160031177.db2.gz WJDZAKBHRQVQMY-NWDGAFQWSA-N 0 0 303.366 0.967 10 0 DCAERN C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000408091579 160033321 /nfs/dbraw/zinc/03/33/21/160033321.db2.gz VGLWWPOGDLPGKS-IUCAKERBSA-N 0 0 302.400 0.791 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC[C@@H](C)[C@@H](O)C3)cc12 ZINC000408090526 160033667 /nfs/dbraw/zinc/03/36/67/160033667.db2.gz RVVXQCKNASVZTM-PELKAZGASA-N 0 0 311.363 0.923 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2cncnc2C1 ZINC000408092989 160034162 /nfs/dbraw/zinc/03/41/62/160034162.db2.gz MJMOJPYGLRBJHI-SNVBAGLBSA-N 0 0 305.382 0.848 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN3CCC[C@@H]3C2)CCCC1 ZINC000408092512 160034379 /nfs/dbraw/zinc/03/43/79/160034379.db2.gz SHBWFGAAVGWOHS-GFCCVEGCSA-N 0 0 300.424 0.650 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)o1 ZINC000408099455 160035651 /nfs/dbraw/zinc/03/56/51/160035651.db2.gz WDPBZDLYWZJDJC-ZDUSSCGKSA-N 0 0 314.407 0.931 10 0 DCAERN C[C@H]1SCCN(C(=O)c2ccnc(S(C)(=O)=O)n2)[C@@H]1C ZINC000408108393 160037424 /nfs/dbraw/zinc/03/74/24/160037424.db2.gz UTCZDFNAMXISIG-RKDXNWHRSA-N 0 0 315.420 0.846 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(C)C[C@H]1C)C2=O ZINC000408112413 160038855 /nfs/dbraw/zinc/03/88/55/160038855.db2.gz KTAWJMPQKNZSOE-GFCCVEGCSA-N 0 0 315.373 0.754 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000408117218 160039504 /nfs/dbraw/zinc/03/95/04/160039504.db2.gz ZDCILCYBGCDRHS-UHTWSYAYSA-N 0 0 310.375 0.177 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000408120148 160040461 /nfs/dbraw/zinc/04/04/61/160040461.db2.gz CVRDZTDZWRONOZ-CYBMUJFWSA-N 0 0 318.439 0.543 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408121030 160040944 /nfs/dbraw/zinc/04/09/44/160040944.db2.gz BQNZULFTZAMIFR-SNVBAGLBSA-N 0 0 312.457 0.046 10 0 DCAERN CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CO)C2)CCO1 ZINC000408130778 160043687 /nfs/dbraw/zinc/04/36/87/160043687.db2.gz FHBRWKRCHPFELR-MJBXVCDLSA-N 0 0 300.399 0.983 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)nn1C ZINC000408129888 160043736 /nfs/dbraw/zinc/04/37/36/160043736.db2.gz BXULXNGPMXKATE-ZDUSSCGKSA-N 0 0 322.434 0.909 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1O ZINC000408137597 160045101 /nfs/dbraw/zinc/04/51/01/160045101.db2.gz JVHHXJOVXJTIJH-RYUDHWBXSA-N 0 0 318.439 0.277 10 0 DCAERN CC(C)[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCO1 ZINC000408141982 160046662 /nfs/dbraw/zinc/04/66/62/160046662.db2.gz YPTFHPILWGRCTH-LLVKDONJSA-N 0 0 313.441 0.108 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](C)[C@H]3CO)nc2n1 ZINC000408142710 160046898 /nfs/dbraw/zinc/04/68/98/160046898.db2.gz XYVJPUPPWZZKQE-JOYOIKCWSA-N 0 0 303.366 0.974 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)o1 ZINC000408146808 160047592 /nfs/dbraw/zinc/04/75/92/160047592.db2.gz VJLCMPPSKDDRKB-SECBINFHSA-N 0 0 308.381 0.030 10 0 DCAERN CC[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@H]1N1CCOCC1 ZINC000408150672 160048698 /nfs/dbraw/zinc/04/86/98/160048698.db2.gz NDFLHDUNYKCAIK-ZIAGYGMSSA-N 0 0 323.437 0.424 10 0 DCAERN Cc1nc([C@@H]2CN(S(=O)(=O)N(C)CC(C)C)CCO2)no1 ZINC000408152458 160049302 /nfs/dbraw/zinc/04/93/02/160049302.db2.gz ANJNYZAVLVZRKE-NSHDSACASA-N 0 0 318.399 0.584 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCC(O)(C(F)F)CC1 ZINC000408159751 160049910 /nfs/dbraw/zinc/04/99/10/160049910.db2.gz REBALMFNMOXOIM-JTQLQIEISA-N 0 0 304.337 0.911 10 0 DCAERN COC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408174323 160052712 /nfs/dbraw/zinc/05/27/12/160052712.db2.gz IZEWQADBMPWZBN-JSGCOSHPSA-N 0 0 306.366 0.187 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(OC)CC1)CC2 ZINC000408172266 160052785 /nfs/dbraw/zinc/05/27/85/160052785.db2.gz UTVOFOLCOURWNQ-NSHDSACASA-N 0 0 307.398 0.976 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC[C@@H](O)CC3)cnc12 ZINC000408178657 160053589 /nfs/dbraw/zinc/05/35/89/160053589.db2.gz SHWGFJJWYSGMNY-GFCCVEGCSA-N 0 0 301.346 0.990 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000408183947 160053942 /nfs/dbraw/zinc/05/39/42/160053942.db2.gz VMMIJDBFKPATCQ-OLZOCXBDSA-N 0 0 302.440 0.895 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C)C[C@H]1C ZINC000408186127 160055001 /nfs/dbraw/zinc/05/50/01/160055001.db2.gz PWTCJWHPTAVCNY-SNVBAGLBSA-N 0 0 303.366 0.753 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)o1 ZINC000408186647 160055345 /nfs/dbraw/zinc/05/53/45/160055345.db2.gz IZNKJFUQMSEKFJ-IVZWLZJFSA-N 0 0 314.363 0.031 10 0 DCAERN Cc1nc(CNC(=O)C2CCN(C(=O)N3CCCC3)CC2)no1 ZINC000408190198 160055908 /nfs/dbraw/zinc/05/59/08/160055908.db2.gz UHOWOMCWKCGRJG-UHFFFAOYSA-N 0 0 321.381 0.922 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000408188738 160056328 /nfs/dbraw/zinc/05/63/28/160056328.db2.gz UOHZRDMMCDNKRC-DRZSPHRISA-N 0 0 324.402 0.485 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408187935 160056362 /nfs/dbraw/zinc/05/63/62/160056362.db2.gz QUEJWXXBYJFGJO-DRZSPHRISA-N 0 0 309.387 0.933 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000408196872 160057396 /nfs/dbraw/zinc/05/73/96/160057396.db2.gz DKHZOKKZYRTTKC-CHWSQXEVSA-N 0 0 309.410 0.759 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)CC(=O)N1 ZINC000408203254 160059360 /nfs/dbraw/zinc/05/93/60/160059360.db2.gz KUECTSUUYWMGCK-TUAOUCFPSA-N 0 0 321.381 0.318 10 0 DCAERN CN1CCN(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1=O ZINC000408218203 160062426 /nfs/dbraw/zinc/06/24/26/160062426.db2.gz PWNLPMRHWIHVCH-MNOVXSKESA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000408224302 160063253 /nfs/dbraw/zinc/06/32/53/160063253.db2.gz WEMWJLKKPYMVHK-RISCZKNCSA-N 0 0 320.455 0.571 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCc2cscn2)C[C@@H](C)O1 ZINC000408224971 160063691 /nfs/dbraw/zinc/06/36/91/160063691.db2.gz IVVYEHKELDROFP-NXEZZACHSA-N 0 0 305.425 0.629 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)C1(F)F ZINC000408230499 160064390 /nfs/dbraw/zinc/06/43/90/160064390.db2.gz BJGNAVQHNHLMBP-UTINFBMNSA-N 0 0 310.366 0.722 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)C2)c1 ZINC000408229263 160064562 /nfs/dbraw/zinc/06/45/62/160064562.db2.gz OYRQZVYKUSGBQM-AWEZNQCLSA-N 0 0 319.409 0.129 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1(F)F ZINC000408231242 160064942 /nfs/dbraw/zinc/06/49/42/160064942.db2.gz LQLXHUILIWAEAH-BXKDBHETSA-N 0 0 303.353 0.556 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC000408232580 160065799 /nfs/dbraw/zinc/06/57/99/160065799.db2.gz UTWOXYVYBUPDNQ-SKDRFNHKSA-N 0 0 301.337 0.310 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(C)C ZINC000408237975 160066746 /nfs/dbraw/zinc/06/67/46/160066746.db2.gz SGMMDRKZORBJPJ-MXWKQRLJSA-N 0 0 308.400 0.128 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000408242951 160067479 /nfs/dbraw/zinc/06/74/79/160067479.db2.gz ADBANCAJXWVQJT-FRRDWIJNSA-N 0 0 318.439 0.325 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC1 ZINC000408242645 160067629 /nfs/dbraw/zinc/06/76/29/160067629.db2.gz WQBMBKANHSLBLN-UHFFFAOYSA-N 0 0 321.381 0.331 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2)C1 ZINC000408246606 160068201 /nfs/dbraw/zinc/06/82/01/160068201.db2.gz NSRQZDHFFLUCRQ-ZJUUUORDSA-N 0 0 307.441 0.215 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cn1 ZINC000408245522 160068480 /nfs/dbraw/zinc/06/84/80/160068480.db2.gz GSBULZDQZBBVBV-INIZCTEOSA-N 0 0 302.378 0.890 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000408249051 160068931 /nfs/dbraw/zinc/06/89/31/160068931.db2.gz YIDCYTJEJKBESP-DOTOQJQBSA-N 0 0 321.421 0.762 10 0 DCAERN O=C(CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCCCC1 ZINC000408251818 160069900 /nfs/dbraw/zinc/06/99/00/160069900.db2.gz HWYJJCZBLQVKBV-INIZCTEOSA-N 0 0 322.409 0.311 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000408258444 160070636 /nfs/dbraw/zinc/07/06/36/160070636.db2.gz XAQRJQGTMRMAQB-MGPQQGTHSA-N 0 0 324.425 0.160 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2ccnn2C)CC[S@]1=O ZINC000408269772 160072721 /nfs/dbraw/zinc/07/27/21/160072721.db2.gz LTNLLOOLNWXRFZ-LJQANCHMSA-N 0 0 319.452 0.732 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000408273335 160073499 /nfs/dbraw/zinc/07/34/99/160073499.db2.gz BWNQBGNBJLTNLN-AGIUHOORSA-N 0 0 318.439 0.732 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000408275288 160074127 /nfs/dbraw/zinc/07/41/27/160074127.db2.gz XENOJRUEQRARMJ-YCPHGPKFSA-N 0 0 307.394 0.477 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cnn1 ZINC000408274463 160074430 /nfs/dbraw/zinc/07/44/30/160074430.db2.gz LFVMESFELURLHZ-NEPJUHHUSA-N 0 0 312.395 0.375 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408278659 160074880 /nfs/dbraw/zinc/07/48/80/160074880.db2.gz XMEGXMKRBGBUEU-UTUOFQBUSA-N 0 0 322.427 0.612 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408277277 160074950 /nfs/dbraw/zinc/07/49/50/160074950.db2.gz OUZCYLAATJOGIP-UTUOFQBUSA-N 0 0 322.427 0.612 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408291046 160077539 /nfs/dbraw/zinc/07/75/39/160077539.db2.gz VBJBFXBBWOHSEC-GFCCVEGCSA-N 0 0 313.427 0.256 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000408292142 160077560 /nfs/dbraw/zinc/07/75/60/160077560.db2.gz BPRNPQHHOAKSGG-MFKMUULPSA-N 0 0 317.345 0.513 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2CCC(O)CC2)C1=O ZINC000408295537 160078248 /nfs/dbraw/zinc/07/82/48/160078248.db2.gz VDJPLMQSJBXBOB-BPCQOVAHSA-N 0 0 320.393 0.583 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3C[C@H](O)C[C@H]3C)CC2)n1 ZINC000408295554 160078372 /nfs/dbraw/zinc/07/83/72/160078372.db2.gz VGNIUXBJTXIJNC-DGCLKSJQSA-N 0 0 320.393 0.683 10 0 DCAERN CC1(C)CCCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000408299870 160079904 /nfs/dbraw/zinc/07/99/04/160079904.db2.gz FAWSGPDAUNDKCC-UHFFFAOYSA-N 0 0 317.455 0.941 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[S@@](C)=O ZINC000408307046 160081336 /nfs/dbraw/zinc/08/13/36/160081336.db2.gz RTFCQIJLBUEZHI-GJRUODPFSA-N 0 0 318.439 0.733 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000408306784 160081367 /nfs/dbraw/zinc/08/13/67/160081367.db2.gz RCCOBCOFJGJCGL-QFTAPPFESA-N 0 0 318.464 0.571 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CCSC3)CC2)n1 ZINC000408305667 160081469 /nfs/dbraw/zinc/08/14/69/160081469.db2.gz LUWNMRXDHFRZKT-GFCCVEGCSA-N 0 0 321.450 0.944 10 0 DCAERN C[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000408310530 160082533 /nfs/dbraw/zinc/08/25/33/160082533.db2.gz SJNVCCVLFOUBLN-UTUOFQBUSA-N 0 0 303.428 0.756 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)C2CCOCC2)CCO1 ZINC000408310267 160082503 /nfs/dbraw/zinc/08/25/03/160082503.db2.gz RCLWRVBBQXEPIK-JQWIXIFHSA-N 0 0 300.355 0.385 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408315976 160083163 /nfs/dbraw/zinc/08/31/63/160083163.db2.gz MRCFLFBVIMNLCD-UHFFFAOYSA-N 0 0 302.318 0.727 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)[C@@H]1OC ZINC000408313657 160083234 /nfs/dbraw/zinc/08/32/34/160083234.db2.gz LIBCHOASXIJXMI-NWBUJAPZSA-N 0 0 322.427 0.122 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000408312750 160083282 /nfs/dbraw/zinc/08/32/82/160083282.db2.gz CAEWEOJLVQXOEN-UWVGGRQHSA-N 0 0 302.396 0.114 10 0 DCAERN CCn1cnc2c(c1=O)CCN(S(=O)(=O)c1ccc(C)o1)C2 ZINC000408324048 160085303 /nfs/dbraw/zinc/08/53/03/160085303.db2.gz GZVZMHAPXUUOEN-UHFFFAOYSA-N 0 0 323.374 0.912 10 0 DCAERN CSc1c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cnn1C ZINC000408329195 160086166 /nfs/dbraw/zinc/08/61/66/160086166.db2.gz YEYTVAQBHLMRAR-UHFFFAOYSA-N 0 0 317.436 0.791 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000408328599 160086253 /nfs/dbraw/zinc/08/62/53/160086253.db2.gz BJHYINDWNODUHN-KXNHARMFSA-N 0 0 305.396 0.218 10 0 DCAERN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CC(CO)C1 ZINC000408329018 160086306 /nfs/dbraw/zinc/08/63/06/160086306.db2.gz LPXLWRKNJRXGLD-SECBINFHSA-N 0 0 309.288 0.173 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)O1 ZINC000408337571 160087595 /nfs/dbraw/zinc/08/75/95/160087595.db2.gz CKOFIXCMZVWDHF-GRYCIOLGSA-N 0 0 306.366 0.599 10 0 DCAERN CCCNS(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000408361862 160092517 /nfs/dbraw/zinc/09/25/17/160092517.db2.gz JZQCWFHNJFUZLR-SNVBAGLBSA-N 0 0 301.416 0.550 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCCC2)CCS1(=O)=O ZINC000408366862 160093017 /nfs/dbraw/zinc/09/30/17/160093017.db2.gz QSJIALKAKXSURI-UHFFFAOYSA-N 0 0 302.440 0.898 10 0 DCAERN O=C([C@@H]1CCCC[C@H]1C(=O)N1CCO[C@H](CO)C1)N1CCCC1 ZINC000408373428 160094380 /nfs/dbraw/zinc/09/43/80/160094380.db2.gz LIBGSIKKKHDNSN-RRFJBIMHSA-N 0 0 324.421 0.635 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408380420 160095945 /nfs/dbraw/zinc/09/59/45/160095945.db2.gz YZAPNMNHPDJWRO-RWMBFGLXSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408381012 160095981 /nfs/dbraw/zinc/09/59/81/160095981.db2.gz GGCBJRCKOKMRDL-VXGBXAGGSA-N 0 0 311.382 0.590 10 0 DCAERN Cc1nnc([C@@H]2COCCN2C(=O)c2c[nH]cc(C)c2=O)o1 ZINC000408386177 160097489 /nfs/dbraw/zinc/09/74/89/160097489.db2.gz NZUDSIBGWQLCKH-NSHDSACASA-N 0 0 304.306 0.588 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)N1CCCCC1 ZINC000408413601 160103586 /nfs/dbraw/zinc/10/35/86/160103586.db2.gz CJTRHHYDRRKYMJ-NSHDSACASA-N 0 0 306.370 0.425 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)NC[C@]2(O)CCCC(C)(C)C2)c1=O ZINC000408417440 160103675 /nfs/dbraw/zinc/10/36/75/160103675.db2.gz RJRJRDUTFWEALV-HNNXBMFYSA-N 0 0 309.366 0.547 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408425983 160106093 /nfs/dbraw/zinc/10/60/93/160106093.db2.gz IINNYHQWQNVKAQ-VLEAKVRGSA-N 0 0 319.427 0.117 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000408431961 160106926 /nfs/dbraw/zinc/10/69/26/160106926.db2.gz CODJCXZUSQTGAU-WDEREUQCSA-N 0 0 317.386 0.296 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408431749 160106972 /nfs/dbraw/zinc/10/69/72/160106972.db2.gz BKHBRWBKLVCKQO-KBPBESRZSA-N 0 0 319.471 0.494 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)CC1(O)CCOCC1 ZINC000408442972 160108305 /nfs/dbraw/zinc/10/83/05/160108305.db2.gz NNPWHXWMCVJASH-ZDUSSCGKSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 ZINC000408442971 160108633 /nfs/dbraw/zinc/10/86/33/160108633.db2.gz NNPWHXWMCVJASH-CYBMUJFWSA-N 0 0 312.410 0.633 10 0 DCAERN C[C@@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](O)[C@@H](O)C1 ZINC000408440584 160108734 /nfs/dbraw/zinc/10/87/34/160108734.db2.gz DHRPOYBDEYZVSC-WCFLWFBJSA-N 0 0 308.403 0.551 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)n1 ZINC000408441782 160108796 /nfs/dbraw/zinc/10/87/96/160108796.db2.gz GODCPCJPKYGVBU-MRXNPFEDSA-N 0 0 319.409 0.760 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408461662 160113288 /nfs/dbraw/zinc/11/32/88/160113288.db2.gz WGLOTIYPKRWMGW-GRYCIOLGSA-N 0 0 305.396 0.911 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@H]1OC ZINC000408461473 160113515 /nfs/dbraw/zinc/11/35/15/160113515.db2.gz VKGUWQUGETWYMY-UJPOAAIJSA-N 0 0 307.412 0.666 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1c1ccncc1 ZINC000043804008 286885829 /nfs/dbraw/zinc/88/58/29/286885829.db2.gz FFFSFZFNJNJSIT-RYUDHWBXSA-N 0 0 302.334 0.733 10 0 DCAERN CSc1ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1 ZINC000049042187 286891448 /nfs/dbraw/zinc/89/14/48/286891448.db2.gz BWJUFZXXIOXZKM-VIFPVBQESA-N 0 0 302.421 0.962 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073650912 286913999 /nfs/dbraw/zinc/91/39/99/286913999.db2.gz AHNKEFWLUDMJRR-KBPBESRZSA-N 0 0 310.442 0.981 10 0 DCAERN Cn1cc(NC(=O)Cc2ccc(F)c(F)c2)c(=O)n(C)c1=O ZINC000087316701 286931224 /nfs/dbraw/zinc/93/12/24/286931224.db2.gz DQLWKEHRRLLHGD-UHFFFAOYSA-N 0 0 309.272 0.543 10 0 DCAERN C[C@H](CO)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126264075 286970287 /nfs/dbraw/zinc/97/02/87/286970287.db2.gz RJPWYUKSGQBABB-GHMZBOCLSA-N 0 0 304.350 0.465 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000126788818 286973947 /nfs/dbraw/zinc/97/39/47/286973947.db2.gz NZUWDPCXYIJOCT-QMMMGPOBSA-N 0 0 322.287 0.613 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000132299249 287005023 /nfs/dbraw/zinc/00/50/23/287005023.db2.gz SAUQOGYHUDHFGI-GHMZBOCLSA-N 0 0 324.381 0.782 10 0 DCAERN COCCN(CCOC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000131709290 287001768 /nfs/dbraw/zinc/00/17/68/287001768.db2.gz YGMXRFMQSSYSIX-UHFFFAOYSA-N 0 0 307.350 0.451 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC1=O ZINC000133927061 287014231 /nfs/dbraw/zinc/01/42/31/287014231.db2.gz WTGRLWHULSEQKO-OLZOCXBDSA-N 0 0 307.394 0.372 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000135651748 287023932 /nfs/dbraw/zinc/02/39/32/287023932.db2.gz JTVUSCODPUVCHE-NEPJUHHUSA-N 0 0 318.439 0.732 10 0 DCAERN CCN(CC)C(=O)CCCNS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000135519621 287022729 /nfs/dbraw/zinc/02/27/29/287022729.db2.gz BDTRIBHVHDGBCT-RYUDHWBXSA-N 0 0 306.428 0.732 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@@]1(C)CO ZINC000137130051 287027848 /nfs/dbraw/zinc/02/78/48/287027848.db2.gz CZMDVUQMUYJDOB-SUNKGSAMSA-N 0 0 300.424 0.965 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136124715 287025668 /nfs/dbraw/zinc/02/56/68/287025668.db2.gz FEZCEZPGZBJYGD-CYBMUJFWSA-N 0 0 308.444 0.131 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@@H](C(N)=O)O1 ZINC000366803406 296847734 /nfs/dbraw/zinc/84/77/34/296847734.db2.gz FOYVGZIKDRRQAI-KSSYENDESA-N 0 0 323.393 0.228 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000151147300 287032142 /nfs/dbraw/zinc/03/21/42/287032142.db2.gz ANMOCRZBRPUHBZ-VHSXEESVSA-N 0 0 300.380 0.341 10 0 DCAERN COc1ccc(CCC(=O)N[C@H]2CCC(=O)NC2=O)cc1F ZINC000152162519 287039443 /nfs/dbraw/zinc/03/94/43/287039443.db2.gz WPWCGEXXNDERCE-NSHDSACASA-N 0 0 308.309 0.688 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000152755601 287044177 /nfs/dbraw/zinc/04/41/77/287044177.db2.gz JULCXADWJFTDND-GJZGRUSLSA-N 0 0 322.405 0.260 10 0 DCAERN O=C(Cc1c[nH]c2cc(F)ccc12)N[C@H]1CCC(=O)NC1=O ZINC000153368844 287049616 /nfs/dbraw/zinc/04/96/16/287049616.db2.gz ZGODKYCISWZDPJ-NSHDSACASA-N 0 0 303.293 0.771 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194810851 304454704 /nfs/dbraw/zinc/45/47/04/304454704.db2.gz PKVMEARXUIBNDL-CHWSQXEVSA-N 0 0 301.346 0.212 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186830678 287057931 /nfs/dbraw/zinc/05/79/31/287057931.db2.gz NBRJAXRNDNRRRM-GFCCVEGCSA-N 0 0 307.398 0.911 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000245580214 287070880 /nfs/dbraw/zinc/07/08/80/287070880.db2.gz BCHIVGUVFOKZNX-YVECIDJPSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)[C@@H](C)CO1 ZINC000245643309 287071682 /nfs/dbraw/zinc/07/16/82/287071682.db2.gz SSMDUAPGVGFEOX-QNWHQSFQSA-N 0 0 306.428 0.481 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCCC[C@H]1C ZINC000408354154 292514913 /nfs/dbraw/zinc/51/49/13/292514913.db2.gz IFNAZSHHSOXQHG-OLZOCXBDSA-N 0 0 306.428 0.843 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000246509288 287084604 /nfs/dbraw/zinc/08/46/04/287084604.db2.gz UBPFQWAFADNBAK-DYEKYZERSA-N 0 0 309.410 0.761 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC000246865200 287088677 /nfs/dbraw/zinc/08/86/77/287088677.db2.gz QVMMTZHLOFNCEO-YJNKXOJESA-N 0 0 310.394 0.650 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246689759 287086686 /nfs/dbraw/zinc/08/66/86/287086686.db2.gz MVRTTZFYZRDXIV-QJPTWQEYSA-N 0 0 300.424 0.965 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000247102909 287091013 /nfs/dbraw/zinc/09/10/13/287091013.db2.gz WJBBDBKYHBITDF-YRGRVCCFSA-N 0 0 300.424 0.965 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247111302 287091347 /nfs/dbraw/zinc/09/13/47/287091347.db2.gz PDUPYUYKRAOAIQ-NWDGAFQWSA-N 0 0 302.440 0.943 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248668285 287099499 /nfs/dbraw/zinc/09/94/99/287099499.db2.gz ADOFRTYUNWIUHT-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@H]1CO ZINC000248988116 287104645 /nfs/dbraw/zinc/10/46/45/287104645.db2.gz WRWXXULGMLUAGN-APPZFPTMSA-N 0 0 305.787 0.709 10 0 DCAERN CCOCCOCCN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000248676556 287099746 /nfs/dbraw/zinc/09/97/46/287099746.db2.gz AKYITPXZXVNLBL-CYBMUJFWSA-N 0 0 308.444 0.948 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1nnc2n1CCCC2 ZINC000248680891 287099791 /nfs/dbraw/zinc/09/97/91/287099791.db2.gz CZDSDSLIBFYFFB-IJLUTSLNSA-N 0 0 323.397 0.467 10 0 DCAERN COCCO[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000249081718 287106026 /nfs/dbraw/zinc/10/60/26/287106026.db2.gz QPMAVEGAXOIMHB-UONOGXRCSA-N 0 0 322.409 0.679 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249700712 287117405 /nfs/dbraw/zinc/11/74/05/287117405.db2.gz XUKIWCSCTKDIPF-RWMBFGLXSA-N 0 0 318.439 0.826 10 0 DCAERN COC[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000251980526 287120284 /nfs/dbraw/zinc/12/02/84/287120284.db2.gz VJOVPYGTVYOZSG-MJBXVCDLSA-N 0 0 320.455 0.394 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@@H]3CC[C@H](O)[C@H]3C1)CS2 ZINC000252868956 287121114 /nfs/dbraw/zinc/12/11/14/287121114.db2.gz NNJQZRMSMYYTKQ-VSBZFQJLSA-N 0 0 310.419 0.670 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000248603446 685176145 /nfs/dbraw/zinc/17/61/45/685176145.db2.gz UYRDSFNXLPJEFX-DTWKUNHWSA-N 0 0 307.803 0.773 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)no1 ZINC000408061004 287233180 /nfs/dbraw/zinc/23/31/80/287233180.db2.gz VFRVVPRYRPWIHD-WDEREUQCSA-N 0 0 309.322 0.006 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C)n(C)n1 ZINC000626231380 412288478 /nfs/dbraw/zinc/28/84/78/412288478.db2.gz YGIOLRBNHXASEO-UHFFFAOYSA-N 0 0 323.397 0.477 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000518299503 412300062 /nfs/dbraw/zinc/30/00/62/412300062.db2.gz GDCFOIGLUAITHG-UHFFFAOYSA-N 0 0 317.349 0.106 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000331668978 415178889 /nfs/dbraw/zinc/17/88/89/415178889.db2.gz VZQVQVULDBIDKM-VXGBXAGGSA-N 0 0 302.396 0.220 10 0 DCAERN Cc1nc(C)c(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000268155690 415166734 /nfs/dbraw/zinc/16/67/34/415166734.db2.gz PQMDYALXMILVJQ-SECBINFHSA-N 0 0 318.424 0.915 10 0 DCAERN Cc1oc(C(=O)N2CCCSCC2)cc1S(N)(=O)=O ZINC000268188615 415170500 /nfs/dbraw/zinc/17/05/00/415170500.db2.gz XEJHZFKJILMWKF-UHFFFAOYSA-N 0 0 304.393 0.815 10 0 DCAERN CC(C)(C)OC(=O)NCCOCCOCC[NH2+]CC(=O)[O-] ZINC000036462252 415191765 /nfs/dbraw/zinc/19/17/65/415191765.db2.gz PARIBPNCVYWBOX-UHFFFAOYSA-N 0 0 306.359 0.219 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC(=O)OCC ZINC000042693543 415209398 /nfs/dbraw/zinc/20/93/98/415209398.db2.gz JFDXKFKVWCGTJM-LLVKDONJSA-N 0 0 320.411 0.212 10 0 DCAERN CCCn1nccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000043721537 415215786 /nfs/dbraw/zinc/21/57/86/415215786.db2.gz KZIDADNYRYCMID-UHFFFAOYSA-N 0 0 315.399 0.402 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000063653715 415351128 /nfs/dbraw/zinc/35/11/28/415351128.db2.gz FOPWREGIILHYAD-HNNXBMFYSA-N 0 0 317.389 0.909 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000053004980 415320492 /nfs/dbraw/zinc/32/04/92/415320492.db2.gz JHBJLCRXCJUTFI-NSHDSACASA-N 0 0 322.390 0.879 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cn1 ZINC000074227913 415427646 /nfs/dbraw/zinc/42/76/46/415427646.db2.gz NLYDYXYKXJYQGN-DZGCQCFKSA-N 0 0 313.361 0.651 10 0 DCAERN CSC[C@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000066815659 415365917 /nfs/dbraw/zinc/36/59/17/415365917.db2.gz OMQCEXUIZPVILC-VIFPVBQESA-N 0 0 302.421 0.949 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H]1OC ZINC000274942335 415366022 /nfs/dbraw/zinc/36/60/22/415366022.db2.gz MVJOXMMLNJNITB-YUTCNCBUSA-N 0 0 304.350 0.891 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CCC1=O ZINC000275202474 415371518 /nfs/dbraw/zinc/37/15/18/415371518.db2.gz DOVZJBYBFVCBIX-UTUOFQBUSA-N 0 0 306.362 0.599 10 0 DCAERN C[C@H]1NC(=S)N([C@H](Cc2ccccc2)C(=O)N(C)C)C1=O ZINC000067454587 415374803 /nfs/dbraw/zinc/37/48/03/415374803.db2.gz VBKRRQFVTJVHJM-ZYHUDNBSSA-N 0 0 305.403 0.791 10 0 DCAERN C[C@H]1C[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)CCO1 ZINC000332809946 415482367 /nfs/dbraw/zinc/48/23/67/415482367.db2.gz IVJOFJORGRWXPC-QWHCGFSZSA-N 0 0 316.467 0.761 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)O2)C[C@@H]1c1cnn(C)c1 ZINC000332770886 415470397 /nfs/dbraw/zinc/47/03/97/415470397.db2.gz APTCCRJMWNYUEE-AHLTXXRQSA-N 0 0 320.393 0.276 10 0 DCAERN COCCN1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC1=O ZINC000079725980 415474096 /nfs/dbraw/zinc/47/40/96/415474096.db2.gz YKLINEXBORLENF-LBPRGKRZSA-N 0 0 320.393 0.605 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)CCN1C ZINC000276716608 415477908 /nfs/dbraw/zinc/47/79/08/415477908.db2.gz PYICSSYRTBAISW-SMDDNHRTSA-N 0 0 310.423 0.103 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCC(=O)Nc1ccccc1 ZINC000087153776 415508490 /nfs/dbraw/zinc/50/84/90/415508490.db2.gz RTLSDAPHVXLFAT-UHFFFAOYSA-N 0 0 300.318 0.493 10 0 DCAERN CCc1nc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cs1 ZINC000333024887 415536882 /nfs/dbraw/zinc/53/68/82/415536882.db2.gz KKTKYVCBBMYXLN-UBHAPETDSA-N 0 0 311.407 0.864 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108660 415560840 /nfs/dbraw/zinc/56/08/40/415560840.db2.gz DOZOQGVPBQLHON-BARDWOONSA-N 0 0 316.467 0.893 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)cn1 ZINC000333128678 415564668 /nfs/dbraw/zinc/56/46/68/415564668.db2.gz ARCPFCGUWYFQBN-HCKVZZMMSA-N 0 0 321.381 0.128 10 0 DCAERN CC(=O)NC[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCO1 ZINC000333135460 415566330 /nfs/dbraw/zinc/56/63/30/415566330.db2.gz ILLSVQHCNSUZGK-XJFOESAGSA-N 0 0 316.423 0.342 10 0 DCAERN CC(=O)NC[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCO1 ZINC000333135454 415567776 /nfs/dbraw/zinc/56/77/76/415567776.db2.gz ILLSVQHCNSUZGK-RFGFWPKPSA-N 0 0 316.423 0.342 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)CC1)c1ccccc1 ZINC000103279716 415613247 /nfs/dbraw/zinc/61/32/47/415613247.db2.gz USMFLQNHSJRAQZ-AWEZNQCLSA-N 0 0 324.402 0.511 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2c(c1)nnn2C ZINC000104276940 415623466 /nfs/dbraw/zinc/62/34/66/415623466.db2.gz AFRWWLSQEVIFHW-KOLCDFICSA-N 0 0 301.350 0.694 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CCN1Cc1ccccc1 ZINC000333374685 415628742 /nfs/dbraw/zinc/62/87/42/415628742.db2.gz DQUYZGNYCBZQRP-YSVLISHTSA-N 0 0 304.390 0.917 10 0 DCAERN CCn1cncc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000333395862 415635791 /nfs/dbraw/zinc/63/57/91/415635791.db2.gz DRWNIKKUFLIEQJ-AXFHLTTASA-N 0 0 312.395 0.191 10 0 DCAERN C[C@H](O)C(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333218893 415585094 /nfs/dbraw/zinc/58/50/94/415585094.db2.gz WCJSHNLNGMIFRP-RNJOBUHISA-N 0 0 316.423 0.030 10 0 DCAERN Cc1cc(-c2nc(CC(=O)N3C[C@@H](C)O[C@H](C)C3)no2)nn1C ZINC000333251963 415596660 /nfs/dbraw/zinc/59/66/60/415596660.db2.gz YPRGWDVEFPQJAJ-GHMZBOCLSA-N 0 0 319.365 0.957 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000106901600 415652198 /nfs/dbraw/zinc/65/21/98/415652198.db2.gz FRPNABMVOAPFTR-GJZGRUSLSA-N 0 0 324.446 0.805 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@H](C)C(C)C)CC1 ZINC000107727238 415672630 /nfs/dbraw/zinc/67/26/30/415672630.db2.gz ULMOOFOOKWCFEB-GFCCVEGCSA-N 0 0 312.414 0.411 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000288833755 415691691 /nfs/dbraw/zinc/69/16/91/415691691.db2.gz CQGXVLYSVAOHKM-UHFFFAOYSA-N 0 0 315.782 0.738 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC(c2ccnn2C)CC1 ZINC000111212484 415690240 /nfs/dbraw/zinc/69/02/40/415690240.db2.gz LVGQCPPXGQLMLU-UHFFFAOYSA-N 0 0 322.409 0.621 10 0 DCAERN CCC(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000333709037 415720867 /nfs/dbraw/zinc/72/08/67/415720867.db2.gz ICKWIIPTSIINQQ-KGLIPLIRSA-N 0 0 309.410 0.668 10 0 DCAERN CN(CCN1CCOCC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000114464569 415720909 /nfs/dbraw/zinc/72/09/09/415720909.db2.gz HIBNWGIQRHTQQN-UHFFFAOYSA-N 0 0 324.450 0.834 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000114976239 415724708 /nfs/dbraw/zinc/72/47/08/415724708.db2.gz ZQODBRASYPWWCR-TUAOUCFPSA-N 0 0 307.398 0.974 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000120601278 415776126 /nfs/dbraw/zinc/77/61/26/415776126.db2.gz FILZPAYVIJAKPA-CHWSQXEVSA-N 0 0 320.393 0.242 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000119957253 415755488 /nfs/dbraw/zinc/75/54/88/415755488.db2.gz CKFUNXODFDXQDU-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@H](O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000122370903 415833730 /nfs/dbraw/zinc/83/37/30/415833730.db2.gz RZXHTLKPGGOTDS-GJZGRUSLSA-N 0 0 309.385 0.741 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000336861984 415845166 /nfs/dbraw/zinc/84/51/66/415845166.db2.gz BSGGSPOIDLVGPQ-MRXNPFEDSA-N 0 0 300.362 0.685 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000124361744 415850005 /nfs/dbraw/zinc/85/00/05/415850005.db2.gz KJPSHCMUUBRMDE-MRVWCRGKSA-N 0 0 321.421 0.747 10 0 DCAERN Nc1nc(N)nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000121109071 415792449 /nfs/dbraw/zinc/79/24/49/415792449.db2.gz CZPOQKGRYVFACW-LDYMZIIASA-N 0 0 322.319 0.622 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121395110 415805792 /nfs/dbraw/zinc/80/57/92/415805792.db2.gz FGZFCVQPYUGZDT-SMDDNHRTSA-N 0 0 318.439 0.468 10 0 DCAERN CC(C)C[C@H](CCO)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000124136238 415851074 /nfs/dbraw/zinc/85/10/74/415851074.db2.gz DKTLOWIUZIRKGV-IHRRRGAJSA-N 0 0 322.471 0.975 10 0 DCAERN O=C(NC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1)c1ccccc1 ZINC000121588914 415812293 /nfs/dbraw/zinc/81/22/93/415812293.db2.gz HGSQCJWMLQIGFZ-CYBMUJFWSA-N 0 0 315.373 0.544 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2ccncc2)CCS1(=O)=O ZINC000121646086 415814040 /nfs/dbraw/zinc/81/40/40/415814040.db2.gz YBGQTCWXNPTXGB-LLVKDONJSA-N 0 0 314.432 0.960 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2cncc(Br)c2)C1 ZINC000336711850 415815082 /nfs/dbraw/zinc/81/50/82/415815082.db2.gz PVPJBDPKTKEASE-LLVKDONJSA-N 0 0 300.156 0.266 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N2CCNC(=O)CC2)cc1F ZINC000122152422 415825938 /nfs/dbraw/zinc/82/59/38/415825938.db2.gz PKPPFYZDCLRTHQ-UHFFFAOYSA-N 0 0 304.318 0.784 10 0 DCAERN O=C(N[C@H]1CCCc2c[nH]nc21)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000294385341 415871270 /nfs/dbraw/zinc/87/12/70/415871270.db2.gz JAYUTTHZPMGKJA-WDEREUQCSA-N 0 0 317.353 0.688 10 0 DCAERN C[C@]1(n2cc(CN3CCSCC3)cn2)CCS(=O)(=O)C1 ZINC000126222782 415873076 /nfs/dbraw/zinc/87/30/76/415873076.db2.gz WYSAVQPYIZIXGP-ZDUSSCGKSA-N 0 0 315.464 0.966 10 0 DCAERN C[C@H]1CC(NC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000126247316 415873172 /nfs/dbraw/zinc/87/31/72/415873172.db2.gz ZEYKNOSGLQXXRH-UWVGGRQHSA-N 0 0 319.365 0.202 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cnn2c1CCCC2 ZINC000127501124 415887915 /nfs/dbraw/zinc/88/79/15/415887915.db2.gz PNXSLTHEJGSFHD-GHMZBOCLSA-N 0 0 311.407 0.867 10 0 DCAERN O[C@@H](COC1CCOCC1)CN1CCN(c2cccnn2)CC1 ZINC000127485154 415888724 /nfs/dbraw/zinc/88/87/24/415888724.db2.gz XATYUZWDNGLCTP-CQSZACIVSA-N 0 0 322.409 0.155 10 0 DCAERN CCC(CC)(CO)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000127944291 415890352 /nfs/dbraw/zinc/89/03/52/415890352.db2.gz JZDBYSQNEBKBBW-CYBMUJFWSA-N 0 0 301.431 0.805 10 0 DCAERN COc1cccc(CNC(=O)c2cccc(-n3cnnn3)c2)n1 ZINC000128541416 415898117 /nfs/dbraw/zinc/89/81/17/415898117.db2.gz YRCMSQQCIQXXMM-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)C1 ZINC000408051020 287323127 /nfs/dbraw/zinc/32/31/27/287323127.db2.gz HMBAABSIUBIXFS-KBUPBQIOSA-N 0 0 324.421 0.633 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151540468 415963968 /nfs/dbraw/zinc/96/39/68/415963968.db2.gz UZEQQJFACSQCKD-AAEUAGOBSA-N 0 0 322.413 0.342 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1=O ZINC000151292670 415964825 /nfs/dbraw/zinc/96/48/25/415964825.db2.gz BEDIJYUBMAOYMM-XQQFMLRXSA-N 0 0 324.425 0.729 10 0 DCAERN COCCS(=O)(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000153042879 415974940 /nfs/dbraw/zinc/97/49/40/415974940.db2.gz PXHDNVWNXMGAEP-LBPRGKRZSA-N 0 0 314.407 0.840 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H]2CCOC2)c1 ZINC000337548961 415975492 /nfs/dbraw/zinc/97/54/92/415975492.db2.gz OIWZFAFPLMLTGQ-GFCCVEGCSA-N 0 0 305.334 0.513 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@@H]1C ZINC000153574672 415984386 /nfs/dbraw/zinc/98/43/86/415984386.db2.gz TUTKTADZWIHYFD-WDEREUQCSA-N 0 0 320.397 0.766 10 0 DCAERN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c2ccccc21 ZINC000154463576 415991130 /nfs/dbraw/zinc/99/11/30/415991130.db2.gz HMGUCUSEFSQKSL-BXUZGUMPSA-N 0 0 317.389 0.946 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)N1CC[C@]2(CCOC2)C1 ZINC000155105692 415993120 /nfs/dbraw/zinc/99/31/20/415993120.db2.gz ZTEJZTJIUHRIPL-INIZCTEOSA-N 0 0 316.361 0.525 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2nnc3n2CCCC3)cn1 ZINC000155091112 415993281 /nfs/dbraw/zinc/99/32/81/415993281.db2.gz QDLQCQVREGKYRU-UHFFFAOYSA-N 0 0 316.369 0.792 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000344822094 415993702 /nfs/dbraw/zinc/99/37/02/415993702.db2.gz KCBTWFVEDRYTKA-ONGXEEELSA-N 0 0 312.395 0.093 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000155181592 415995458 /nfs/dbraw/zinc/99/54/58/415995458.db2.gz QEDGDHHWIIZPMR-GFCCVEGCSA-N 0 0 320.397 0.923 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000155310237 415996282 /nfs/dbraw/zinc/99/62/82/415996282.db2.gz GJTLBUDQYMCTLD-GXFFZTMASA-N 0 0 319.361 0.213 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000132643654 415931874 /nfs/dbraw/zinc/93/18/74/415931874.db2.gz XNWQVJGKADLAQE-WDEREUQCSA-N 0 0 304.350 0.007 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(C)COC2)c1 ZINC000172006022 416043360 /nfs/dbraw/zinc/04/33/60/416043360.db2.gz LPVLCPMBVALXBP-UHFFFAOYSA-N 0 0 312.391 0.669 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CCN2CCCC[C@H]2C1 ZINC000173030975 416051956 /nfs/dbraw/zinc/05/19/56/416051956.db2.gz FRZXKFFFDFXARN-AWEZNQCLSA-N 0 0 302.440 0.913 10 0 DCAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1nc(N)nc(N)n1 ZINC000173298255 416055076 /nfs/dbraw/zinc/05/50/76/416055076.db2.gz COUXMWAYXITAGH-ZYHUDNBSSA-N 0 0 300.366 0.998 10 0 DCAERN Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cnn(C)c3)C2)cn1 ZINC000173421930 416058848 /nfs/dbraw/zinc/05/88/48/416058848.db2.gz SXDLLCUPCLIHIE-NSHDSACASA-N 0 0 324.410 0.101 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)NCc3ccccc3)CCO2)[nH]1 ZINC000173662199 416061889 /nfs/dbraw/zinc/06/18/89/416061889.db2.gz JGICWTUSDVGGEL-CQSZACIVSA-N 0 0 315.377 0.803 10 0 DCAERN Cc1nnc([C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173672224 416063450 /nfs/dbraw/zinc/06/34/50/416063450.db2.gz JDAVBKAJCCGDBO-ZDUSSCGKSA-N 0 0 301.350 0.786 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)[nH]1 ZINC000173738951 416063591 /nfs/dbraw/zinc/06/35/91/416063591.db2.gz HBMVOCXMEGCTPN-JTQLQIEISA-N 0 0 317.415 0.325 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCCC[C@@H]3C)CCO2)[nH]1 ZINC000173759301 416063654 /nfs/dbraw/zinc/06/36/54/416063654.db2.gz JEBYJMCGFOQNSK-AAEUAGOBSA-N 0 0 307.398 0.887 10 0 DCAERN C[C@H](CNC(=O)NCCCC(C)(C)CO)N1CCOCC1 ZINC000173826056 416065461 /nfs/dbraw/zinc/06/54/61/416065461.db2.gz VIOFOMVLPZWJRL-CYBMUJFWSA-N 0 0 301.431 0.805 10 0 DCAERN O=C(NCCc1cccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173773227 416066427 /nfs/dbraw/zinc/06/64/27/416066427.db2.gz LMCDXILXWYJPRW-HNNXBMFYSA-N 0 0 304.394 0.740 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000173971089 416069534 /nfs/dbraw/zinc/06/95/34/416069534.db2.gz NNDGEMGOYKPQBU-IUODEOHRSA-N 0 0 317.389 0.578 10 0 DCAERN CNC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173952485 416070350 /nfs/dbraw/zinc/07/03/50/416070350.db2.gz DBRKUQVDGYTMIZ-INIZCTEOSA-N 0 0 303.406 0.953 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)Nc3nncs3)C2=O)n1 ZINC000174130542 416073484 /nfs/dbraw/zinc/07/34/84/416073484.db2.gz NZZWSWGFTJGZKY-MRVPVSSYSA-N 0 0 321.366 0.589 10 0 DCAERN COC(C)(C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174164090 416073597 /nfs/dbraw/zinc/07/35/97/416073597.db2.gz GUBCIDSALFKECV-UHFFFAOYSA-N 0 0 305.334 0.231 10 0 DCAERN CCc1cnc(CCNC(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000174163342 416074221 /nfs/dbraw/zinc/07/42/21/416074221.db2.gz HFSZBHHPFWINQX-LLVKDONJSA-N 0 0 312.439 0.878 10 0 DCAERN CCO[C@@H](C)c1nc(CN(C)C(=O)Cn2cnnn2)cs1 ZINC000174448873 416076995 /nfs/dbraw/zinc/07/69/95/416076995.db2.gz JKEYMDLAZRLGLY-VIFPVBQESA-N 0 0 310.383 0.886 10 0 DCAERN COCCOCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164404585 416017209 /nfs/dbraw/zinc/01/72/09/416017209.db2.gz DGBLKLGCPNNMLN-ZFWWWQNUSA-N 0 0 300.399 0.986 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C ZINC000166728162 416023208 /nfs/dbraw/zinc/02/32/08/416023208.db2.gz FYUKCSXQLVSCKE-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN CC(=O)N1CCN(c2nnc(CCc3ccco3)n2C)CC1 ZINC000337924768 416023778 /nfs/dbraw/zinc/02/37/78/416023778.db2.gz JRWYJJCDXDDXNN-UHFFFAOYSA-N 0 0 303.366 0.862 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000170821859 416033482 /nfs/dbraw/zinc/03/34/82/416033482.db2.gz KJDKOLFVSSQWNQ-IUODEOHRSA-N 0 0 317.389 0.982 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(C(=O)C(C)(C)OC)CC1 ZINC000171664922 416041109 /nfs/dbraw/zinc/04/11/09/416041109.db2.gz BTPVNMUYNYXGJZ-UHFFFAOYSA-N 0 0 313.442 0.814 10 0 DCAERN O=C(CN1CC[C@@](O)(C(F)(F)F)C1)NC(=O)NC1CCCC1 ZINC000174743825 416086681 /nfs/dbraw/zinc/08/66/81/416086681.db2.gz GMSSYQZHVNWFQT-LBPRGKRZSA-N 0 0 323.315 0.754 10 0 DCAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000174742164 416086774 /nfs/dbraw/zinc/08/67/74/416086774.db2.gz UNJPSZLPXAEJGB-KXUCPTDWSA-N 0 0 308.382 0.836 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC000301601128 416088956 /nfs/dbraw/zinc/08/89/56/416088956.db2.gz ZKPUUMFZNNDICV-ZDUSSCGKSA-N 0 0 301.350 0.753 10 0 DCAERN CC1(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)COC1 ZINC000174885976 416090165 /nfs/dbraw/zinc/09/01/65/416090165.db2.gz XXEINXFJADMLBL-AWEZNQCLSA-N 0 0 311.426 0.919 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000174928886 416090744 /nfs/dbraw/zinc/09/07/44/416090744.db2.gz WXPLSSYPBOKQBF-QGZVFWFLSA-N 0 0 318.373 0.905 10 0 DCAERN CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991266 416092006 /nfs/dbraw/zinc/09/20/06/416092006.db2.gz OWSIFVSWLGFYKY-RYUDHWBXSA-N 0 0 308.382 0.765 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc[nH]3)C2=O)n(C)n1 ZINC000174989742 416092538 /nfs/dbraw/zinc/09/25/38/416092538.db2.gz MYFOGBGMBBLQAO-LBPRGKRZSA-N 0 0 301.350 0.982 10 0 DCAERN CCCNC(=O)c1ccc(NC[C@@H]2CN3CCN2CC3)nc1 ZINC000301786250 416092725 /nfs/dbraw/zinc/09/27/25/416092725.db2.gz PNDUYKLZAAKXFD-CQSZACIVSA-N 0 0 303.410 0.633 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000174999431 416094339 /nfs/dbraw/zinc/09/43/39/416094339.db2.gz UBZPBGHLCDAAAE-ZWNOBZJWSA-N 0 0 304.346 0.393 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2=O)n(C)n1 ZINC000175018236 416094657 /nfs/dbraw/zinc/09/46/57/416094657.db2.gz BXCHPZYJDWBFHO-QWHCGFSZSA-N 0 0 320.393 0.767 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175125277 416096967 /nfs/dbraw/zinc/09/69/67/416096967.db2.gz RAIQZXHCKLLNNT-CHWSQXEVSA-N 0 0 309.414 0.937 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)no1 ZINC000175134158 416097472 /nfs/dbraw/zinc/09/74/72/416097472.db2.gz QVKHJLQMLDYMLB-JTQLQIEISA-N 0 0 319.369 0.907 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NCCNC(=O)C1CC1 ZINC000175326410 416102078 /nfs/dbraw/zinc/10/20/78/416102078.db2.gz QHSDALZTNWVKHC-UHFFFAOYSA-N 0 0 307.398 0.865 10 0 DCAERN C[C@@H]1CN(CCN(C)c2nn3c(nccc3=O)s2)C[C@H](C)O1 ZINC000302860724 416102160 /nfs/dbraw/zinc/10/21/60/416102160.db2.gz PHHSOZDTODZSES-PHIMTYICSA-N 0 0 323.422 0.696 10 0 DCAERN Cc1nc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)sc1C ZINC000175332481 416102894 /nfs/dbraw/zinc/10/28/94/416102894.db2.gz JSBBEUVKKCCRSQ-UHFFFAOYSA-N 0 0 310.379 0.707 10 0 DCAERN O=C(CNC(=O)NCc1ccc2cc[nH]c2n1)N1CCCC1 ZINC000357618087 416107106 /nfs/dbraw/zinc/10/71/06/416107106.db2.gz NRBCUDAJVGTEGH-UHFFFAOYSA-N 0 0 301.350 0.985 10 0 DCAERN CN(CC(=O)NC(C)(C)C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000175501931 416108011 /nfs/dbraw/zinc/10/80/11/416108011.db2.gz QTFXRXCSNTTYMF-GFCCVEGCSA-N 0 0 321.425 0.762 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000175624516 416110130 /nfs/dbraw/zinc/11/01/30/416110130.db2.gz YEIXKLLYUQMRJG-KOLCDFICSA-N 0 0 309.414 0.744 10 0 DCAERN Cc1cnn(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000175793106 416114244 /nfs/dbraw/zinc/11/42/44/416114244.db2.gz XJHDSDRCNBDFBR-CABCVRRESA-N 0 0 321.425 0.554 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](COC)C1 ZINC000176182794 416120706 /nfs/dbraw/zinc/12/07/06/416120706.db2.gz DOROADMGBJRUDB-NEPJUHHUSA-N 0 0 323.397 0.732 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCC(C)(C)CCCO)C1 ZINC000357723342 416121701 /nfs/dbraw/zinc/12/17/01/416121701.db2.gz YISDHUXGIHAZEF-LBPRGKRZSA-N 0 0 314.430 0.888 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c(C)n1 ZINC000328608749 416123093 /nfs/dbraw/zinc/12/30/93/416123093.db2.gz BDMKSZNCUXIZEZ-VIFPVBQESA-N 0 0 310.383 0.685 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)[C@@H](C)C1 ZINC000357730508 416123128 /nfs/dbraw/zinc/12/31/28/416123128.db2.gz IFECFDZABPONNG-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN Cc1conc1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000328655043 416125795 /nfs/dbraw/zinc/12/57/95/416125795.db2.gz XZZDRHXLCDEVGL-CYBMUJFWSA-N 0 0 308.382 1.558 10 0 DCAERN CC[C@@H](NC(=O)N1CCN(C2CC2)CC1)C(=O)N1CCOCC1 ZINC000176616713 416130283 /nfs/dbraw/zinc/13/02/83/416130283.db2.gz RVIIFTHKGJNIFM-CQSZACIVSA-N 0 0 324.425 0.113 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 ZINC000176876505 416137238 /nfs/dbraw/zinc/13/72/38/416137238.db2.gz JTWSBWHFUUVNLR-OCCSQVGLSA-N 0 0 322.409 0.848 10 0 DCAERN C[C@@H](CN1CCN(CC2CCOCC2)CC1)CS(C)(=O)=O ZINC000176990813 416138586 /nfs/dbraw/zinc/13/85/86/416138586.db2.gz ANHFKWGLUWQCKM-AWEZNQCLSA-N 0 0 318.483 0.711 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@@H](C)C1 ZINC000357839407 416139593 /nfs/dbraw/zinc/13/95/93/416139593.db2.gz YBTFMTUYBAHSHC-ZMJPVWNMSA-N 0 0 322.409 0.258 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)s1 ZINC000328950410 416140749 /nfs/dbraw/zinc/14/07/49/416140749.db2.gz LGXXGOOUDHNFJW-VHSXEESVSA-N 0 0 311.411 1.037 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)O1 ZINC000357852566 416141634 /nfs/dbraw/zinc/14/16/34/416141634.db2.gz XBCFIKCAIZYSDY-VXGBXAGGSA-N 0 0 317.349 0.395 10 0 DCAERN COCCOCCCCNC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357854022 416141843 /nfs/dbraw/zinc/14/18/43/416141843.db2.gz ZPCKWMCPVWNLAR-CYBMUJFWSA-N 0 0 315.414 0.692 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCO[C@H]2CCOC2)[C@@H](C)C1 ZINC000357847087 416141945 /nfs/dbraw/zinc/14/19/45/416141945.db2.gz AFIOIMLOJUNZGO-JSGCOSHPSA-N 0 0 313.398 0.444 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccc(N(C)C)cc2)C[C@@H](C(N)=O)O1 ZINC000177258229 416144191 /nfs/dbraw/zinc/14/41/91/416144191.db2.gz LAPXDNOIOQXRBA-RISCZKNCSA-N 0 0 320.393 0.266 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357867289 416144785 /nfs/dbraw/zinc/14/47/85/416144785.db2.gz DXOIBEGKLWAANP-GHMZBOCLSA-N 0 0 319.427 0.072 10 0 DCAERN C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177282540 416145010 /nfs/dbraw/zinc/14/50/10/416145010.db2.gz JZYNGFGDWGLKMN-QWRGUYRKSA-N 0 0 309.332 0.317 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000177413591 416145083 /nfs/dbraw/zinc/14/50/83/416145083.db2.gz COHIHEBCTUMGAH-YPMHNXCESA-N 0 0 321.352 0.716 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCC(C)(C)CCCO)C1 ZINC000357880172 416146473 /nfs/dbraw/zinc/14/64/73/416146473.db2.gz OJNJBHFWNNBHRR-VXGBXAGGSA-N 0 0 300.399 0.585 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cccc(C(=O)N(C)CC)c2)C1 ZINC000178126237 416157216 /nfs/dbraw/zinc/15/72/16/416157216.db2.gz XFRUFYYNKYXIQH-UHFFFAOYSA-N 0 0 317.389 0.987 10 0 DCAERN COCCNC(=O)Cn1cc(N[C@H](C(=O)OC)C2CC2)cn1 ZINC000357945258 416157270 /nfs/dbraw/zinc/15/72/70/416157270.db2.gz WFUGSWANFYNJEI-ZDUSSCGKSA-N 0 0 310.354 0.009 10 0 DCAERN COC[C@@H](C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000177526027 416148055 /nfs/dbraw/zinc/14/80/55/416148055.db2.gz MSLDSNUOVVGPDM-SNVBAGLBSA-N 0 0 304.412 0.342 10 0 DCAERN O=S(=O)(Cc1ccn(-c2ccc(F)cc2)n1)C[C@@H](O)CO ZINC000177670619 416149520 /nfs/dbraw/zinc/14/95/20/416149520.db2.gz VMJDWKMFVUXEOW-ZDUSSCGKSA-N 0 0 314.338 0.279 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177743649 416151428 /nfs/dbraw/zinc/15/14/28/416151428.db2.gz WMBFYTLRQQTKIO-CQSZACIVSA-N 0 0 320.393 0.513 10 0 DCAERN c1cn2ccc(CNc3ccnc(N4CCOCC4)n3)cc2n1 ZINC000357445642 416080950 /nfs/dbraw/zinc/08/09/50/416080950.db2.gz ZVPAFEZNXRLWRC-UHFFFAOYSA-N 0 0 310.361 1.573 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc2ccccc2c(=O)[nH]1 ZINC000178642021 416167970 /nfs/dbraw/zinc/16/79/70/416167970.db2.gz JCWARZUPHKVPTO-CYBMUJFWSA-N 0 0 312.373 0.258 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCCO1)C(C)C ZINC000178691472 416169138 /nfs/dbraw/zinc/16/91/38/416169138.db2.gz GAPASWBJGCNDDG-FRRDWIJNSA-N 0 0 300.399 0.847 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(C)C ZINC000178700735 416169279 /nfs/dbraw/zinc/16/92/79/416169279.db2.gz CYRAIMRMNCCERO-FZMZJTMJSA-N 0 0 309.410 0.664 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178756145 416172409 /nfs/dbraw/zinc/17/24/09/416172409.db2.gz JTLMREWBWCERPB-LLVKDONJSA-N 0 0 300.318 0.999 10 0 DCAERN CC(=O)N1CCCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000178909972 416175449 /nfs/dbraw/zinc/17/54/49/416175449.db2.gz GUCJJPKHWZNMPS-UHFFFAOYSA-N 0 0 306.370 0.629 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000178899627 416176284 /nfs/dbraw/zinc/17/62/84/416176284.db2.gz BVZFSGJWKVXNPK-SNVBAGLBSA-N 0 0 306.370 0.675 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)C[C@H](O)C(C)C)cc1 ZINC000178912593 416176372 /nfs/dbraw/zinc/17/63/72/416176372.db2.gz IRNUDMIGFBBBBU-AWEZNQCLSA-N 0 0 308.378 0.835 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cc(F)cc(F)c1 ZINC000178957112 416178842 /nfs/dbraw/zinc/17/88/42/416178842.db2.gz MHXAYSNBTKNMLA-CYBMUJFWSA-N 0 0 324.331 0.019 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1F ZINC000178967137 416179149 /nfs/dbraw/zinc/17/91/49/416179149.db2.gz CKURGXOQVTZIRQ-ZDUSSCGKSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000179155456 416182695 /nfs/dbraw/zinc/18/26/95/416182695.db2.gz PCSKYIUUEQHFFG-NSHDSACASA-N 0 0 316.365 0.796 10 0 DCAERN OC[C@H]1C[C@@H](O)CN1Cc1nc(CCc2ccccc2)no1 ZINC000179182756 416184232 /nfs/dbraw/zinc/18/42/32/416184232.db2.gz IOLUTUKQLBNLOA-ZIAGYGMSSA-N 0 0 303.362 0.782 10 0 DCAERN O=C(CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C1CC1 ZINC000179509662 416188527 /nfs/dbraw/zinc/18/85/27/416188527.db2.gz NEHHAIVGSUMKHX-UHFFFAOYSA-N 0 0 308.359 0.230 10 0 DCAERN Cc1csc(C2CCN(C(=O)Cn3ncn(C)c3=O)CC2)n1 ZINC000179479152 416189484 /nfs/dbraw/zinc/18/94/84/416189484.db2.gz AZLOOBWBZFQCHI-UHFFFAOYSA-N 0 0 321.406 0.753 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(C3CC3)CC2)O1 ZINC000179714561 416191568 /nfs/dbraw/zinc/19/15/68/416191568.db2.gz GQMHKNOQJISJFE-KBPBESRZSA-N 0 0 324.425 0.112 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000179688133 416192661 /nfs/dbraw/zinc/19/26/61/416192661.db2.gz KWKJSNZIIJDWRY-ZDUSSCGKSA-N 0 0 312.391 0.685 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)[nH]1 ZINC000180227239 416193850 /nfs/dbraw/zinc/19/38/50/416193850.db2.gz YKEXWBIUENBWLW-JTQLQIEISA-N 0 0 321.362 0.713 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180976253 416202466 /nfs/dbraw/zinc/20/24/66/416202466.db2.gz UZBRMXILZYNRNG-ZDUSSCGKSA-N 0 0 316.427 0.745 10 0 DCAERN CCOc1cccnc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180956148 416202947 /nfs/dbraw/zinc/20/29/47/416202947.db2.gz JMKVWVRJOAQVJL-UHFFFAOYSA-N 0 0 303.322 0.363 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000181413819 416208248 /nfs/dbraw/zinc/20/82/48/416208248.db2.gz HDMYWEDQKLHMFB-GFCCVEGCSA-N 0 0 323.736 0.789 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1coc(Br)c1 ZINC000181667233 416210013 /nfs/dbraw/zinc/21/00/13/416210013.db2.gz VNYILTGEVXBJDI-SFYZADRCSA-N 0 0 318.123 0.791 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)c(C)o1 ZINC000181691880 416211230 /nfs/dbraw/zinc/21/12/30/416211230.db2.gz IEGQZMLWFAPHHN-ZDUSSCGKSA-N 0 0 324.406 0.965 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000182361370 416219247 /nfs/dbraw/zinc/21/92/47/416219247.db2.gz WNICPVNLJONIPE-NLQQUQSOSA-N 0 0 303.428 0.454 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000347655262 416221152 /nfs/dbraw/zinc/22/11/52/416221152.db2.gz PQSNIHDKMGJQFG-DHGKCCLASA-N 0 0 310.394 0.735 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)NC[C@@H](CO)C1CC1 ZINC000358350033 416226477 /nfs/dbraw/zinc/22/64/77/416226477.db2.gz KRHIMPGAVLDRDW-JTQLQIEISA-N 0 0 307.375 0.593 10 0 DCAERN CCc1cnccc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000182584218 416226578 /nfs/dbraw/zinc/22/65/78/416226578.db2.gz JDSQMJISQFAETN-GFCCVEGCSA-N 0 0 311.407 0.798 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000182610341 416227931 /nfs/dbraw/zinc/22/79/31/416227931.db2.gz OHPMOEGRXKFSGZ-CQSZACIVSA-N 0 0 308.426 0.765 10 0 DCAERN Cn1nnc2cc(C(=O)NCCCN3CCCC3=O)cnc21 ZINC000182672038 416228528 /nfs/dbraw/zinc/22/85/28/416228528.db2.gz ZKFLUUIEBWSVRC-UHFFFAOYSA-N 0 0 302.338 0.106 10 0 DCAERN O=C(N[C@@]1(CO)CCOC1)c1cnn(CCC(F)(F)F)c1 ZINC000182813776 416230724 /nfs/dbraw/zinc/23/07/24/416230724.db2.gz IBLXBXBBQPSVAK-LLVKDONJSA-N 0 0 307.272 0.717 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000178155253 416157857 /nfs/dbraw/zinc/15/78/57/416157857.db2.gz XJGZUSDJGZSMQW-FZMZJTMJSA-N 0 0 306.362 0.995 10 0 DCAERN Cc1noc(COCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000178336850 416160515 /nfs/dbraw/zinc/16/05/15/416160515.db2.gz OPWHTJYMDUHQFF-DOMZBBRYSA-N 0 0 303.318 0.669 10 0 DCAERN O=C(NC[C@@H]1CCC[C@H](O)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178274964 416161303 /nfs/dbraw/zinc/16/13/03/416161303.db2.gz VECROBMEUXMXSX-MDZLAQPJSA-N 0 0 306.366 0.430 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC000329295113 416162079 /nfs/dbraw/zinc/16/20/79/416162079.db2.gz SFMMWDQXTOWSJL-GFCCVEGCSA-N 0 0 322.390 0.385 10 0 DCAERN O=C(Nc1ccn(-c2ccccc2)n1)N1CC(n2ccnn2)C1 ZINC000358476237 416242849 /nfs/dbraw/zinc/24/28/49/416242849.db2.gz VYFNCHVUFAETMR-UHFFFAOYSA-N 0 0 309.333 1.553 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000183551367 416245559 /nfs/dbraw/zinc/24/55/59/416245559.db2.gz JZZVKBRZGCJZBK-LLVKDONJSA-N 0 0 309.366 0.432 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000183851860 416250093 /nfs/dbraw/zinc/25/00/93/416250093.db2.gz QRVZGWWGUQVRBR-RNCFNFMXSA-N 0 0 321.764 0.476 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2CCCn3ncnc32)cc1OC(F)F ZINC000185805143 416253348 /nfs/dbraw/zinc/25/33/48/416253348.db2.gz HBQXEAVSYPASOP-SSDOTTSWSA-N 0 0 312.280 0.878 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCO[C@@]4(CCOC4)C3)nc2n1 ZINC000186009377 416253593 /nfs/dbraw/zinc/25/35/93/416253593.db2.gz WBYGARUHSMEOOZ-HNNXBMFYSA-N 0 0 317.349 0.373 10 0 DCAERN CSCCN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000358567945 416253968 /nfs/dbraw/zinc/25/39/68/416253968.db2.gz QIWIBJXGYYZYRS-CQSZACIVSA-N 0 0 307.375 0.916 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CCO)Cc1ccc(C)o1 ZINC000331059748 416257567 /nfs/dbraw/zinc/25/75/67/416257567.db2.gz BFMRCZVLCDKRSF-ZDUSSCGKSA-N 0 0 312.391 0.830 10 0 DCAERN CCCCn1cc(CNC(=O)N(C)Cc2nnnn2C)c(C)n1 ZINC000358814741 416278178 /nfs/dbraw/zinc/27/81/78/416278178.db2.gz PIYLJSPKJLKMHQ-UHFFFAOYSA-N 0 0 320.401 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)CC1(CO)CC1)CC2 ZINC000187178712 416259809 /nfs/dbraw/zinc/25/98/09/416259809.db2.gz VKEKWZMBCFEAGC-NSHDSACASA-N 0 0 307.398 0.569 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000187192120 416260598 /nfs/dbraw/zinc/26/05/98/416260598.db2.gz UQCUVIXRKDWIBZ-KBPBESRZSA-N 0 0 321.425 0.524 10 0 DCAERN CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000358619175 416261421 /nfs/dbraw/zinc/26/14/21/416261421.db2.gz YXNFLSLSXQTQMF-VHRBIJSZSA-N 0 0 322.409 0.697 10 0 DCAERN C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N1CCOCC1 ZINC000189667713 416268503 /nfs/dbraw/zinc/26/85/03/416268503.db2.gz YPINDSZFONJAEN-AWEZNQCLSA-N 0 0 312.458 0.833 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)c2scnc2C2CC2)C1 ZINC000189567492 416268667 /nfs/dbraw/zinc/26/86/67/416268667.db2.gz IXSZVBHPVUUUJX-UHFFFAOYSA-N 0 0 315.420 0.642 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc2c(cn1)nc[nH]c2=O ZINC000189556660 416268946 /nfs/dbraw/zinc/26/89/46/416268946.db2.gz QZLKUZSPIXFVPQ-VIFPVBQESA-N 0 0 310.317 0.329 10 0 DCAERN CC(=O)CSCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000192604310 416308367 /nfs/dbraw/zinc/30/83/67/416308367.db2.gz LMQQYUCLBVNLDG-GFCCVEGCSA-N 0 0 310.423 0.827 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1CCOC[C@H]1C ZINC000192573522 416308422 /nfs/dbraw/zinc/30/84/22/416308422.db2.gz PDDHDMRMNSKQGN-BXKDBHETSA-N 0 0 318.377 0.928 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000192787078 416311432 /nfs/dbraw/zinc/31/14/32/416311432.db2.gz HZTYJEHAIDEUKR-SMDDNHRTSA-N 0 0 306.362 0.911 10 0 DCAERN CCN(CCCNC(=O)c1c[nH]nc1C(C)C)S(C)(=O)=O ZINC000193441870 416317745 /nfs/dbraw/zinc/31/77/45/416317745.db2.gz VZYMWTLWMYCWIZ-UHFFFAOYSA-N 0 0 316.427 0.935 10 0 DCAERN CCS(=O)(=O)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000190492460 416279747 /nfs/dbraw/zinc/27/97/47/416279747.db2.gz KXLCHXINMXCPEZ-CQSZACIVSA-N 0 0 304.456 0.895 10 0 DCAERN CC1(C)CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC(C)(C)O1 ZINC000190528831 416280083 /nfs/dbraw/zinc/28/00/83/416280083.db2.gz GIQMDPNIWWURFY-LBPRGKRZSA-N 0 0 311.426 0.600 10 0 DCAERN CCc1nc(CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO)cs1 ZINC000190526983 416280278 /nfs/dbraw/zinc/28/02/78/416280278.db2.gz PHVDNRFWFKBXLF-VHSXEESVSA-N 0 0 301.412 0.979 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)C12CCC2 ZINC000358837014 416282585 /nfs/dbraw/zinc/28/25/85/416282585.db2.gz XBJIAIVDDHUJTF-ZOBORPQBSA-N 0 0 324.421 0.680 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000191970549 416293579 /nfs/dbraw/zinc/29/35/79/416293579.db2.gz VIRWUSVPXOCDEI-LBPRGKRZSA-N 0 0 317.345 0.163 10 0 DCAERN CN1[C@@H]2C[C@@H](OC(=O)[C@@](O)(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000263584066 416338478 /nfs/dbraw/zinc/33/84/78/416338478.db2.gz JEJREKXHLFEVHN-DFGCRIRUSA-N 0 0 319.357 0.022 10 0 DCAERN Cn1ccc([C@@H](NC(=O)NC(CO)CO)c2ccc(F)cc2)n1 ZINC000359372547 416344172 /nfs/dbraw/zinc/34/41/72/416344172.db2.gz MUEAYAMHWRVMRJ-AWEZNQCLSA-N 0 0 322.340 0.301 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)[C@H]2CN(CC)CCO2)no1 ZINC000359490981 416347884 /nfs/dbraw/zinc/34/78/84/416347884.db2.gz CAOWZEHJXZBMBZ-GHMZBOCLSA-N 0 0 312.370 0.504 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C(C)C ZINC000194214953 416322783 /nfs/dbraw/zinc/32/27/83/416322783.db2.gz HKNQMXJSMQOIFW-NSHDSACASA-N 0 0 301.350 0.972 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000194345642 416322838 /nfs/dbraw/zinc/32/28/38/416322838.db2.gz XOYXJJDAZUXCFV-KXUCPTDWSA-N 0 0 308.300 0.938 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)CCc2ccccc2O)cn1 ZINC000194351218 416323059 /nfs/dbraw/zinc/32/30/59/416323059.db2.gz GNOMFSJGAJJHAP-UHFFFAOYSA-N 0 0 302.334 0.906 10 0 DCAERN CSC1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CCC1 ZINC000194462850 416323669 /nfs/dbraw/zinc/32/36/69/416323669.db2.gz HMKCMFCFTQTPSA-UHFFFAOYSA-N 0 0 321.406 0.532 10 0 DCAERN O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1COCCN1 ZINC000238003425 416329389 /nfs/dbraw/zinc/32/93/89/416329389.db2.gz FXTCKASRGARXHV-CQSZACIVSA-N 0 0 311.426 0.126 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486409 416331998 /nfs/dbraw/zinc/33/19/98/416331998.db2.gz NMLDNOZIRSHLRX-AAVRWANBSA-N 0 0 311.426 0.598 10 0 DCAERN O=C(NCCCc1ccccc1)C(=O)NC[C@H](CO)C1CC1 ZINC000359818549 416360605 /nfs/dbraw/zinc/36/06/05/416360605.db2.gz GLZHAALFEVUBPC-OAHLLOKOSA-N 0 0 304.390 0.870 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2nnc(C3CC3)n2C2CC2)n1 ZINC000360952576 416416762 /nfs/dbraw/zinc/41/67/62/416416762.db2.gz CQEBDHDSHWMEGJ-UHFFFAOYSA-N 0 0 315.333 0.882 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000360216712 416380228 /nfs/dbraw/zinc/38/02/28/416380228.db2.gz BIEPBFCMKCUDFJ-GHMZBOCLSA-N 0 0 305.396 0.769 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CC(n2ccnn2)C1 ZINC000360337888 416386380 /nfs/dbraw/zinc/38/63/80/416386380.db2.gz SLRILJKDOGAPTQ-UHFFFAOYSA-N 0 0 309.333 0.864 10 0 DCAERN COC(=O)c1cccc([C@@H](C(=O)OC)N2CC(=O)N(C)C2)c1 ZINC000360490663 416392474 /nfs/dbraw/zinc/39/24/74/416392474.db2.gz KYWJKUGWSGBVQF-ZDUSSCGKSA-N 0 0 306.318 0.419 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000360507333 416393682 /nfs/dbraw/zinc/39/36/82/416393682.db2.gz MQLHATPPPKTBHJ-SYQHCUMBSA-N 0 0 321.421 0.903 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)C[C@H](CO)O1 ZINC000360697665 416404350 /nfs/dbraw/zinc/40/43/50/416404350.db2.gz AUUUMQNSSWAFHK-GXFFZTMASA-N 0 0 304.350 0.854 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)NCCOCC2CCC2)n1 ZINC000583474168 416468890 /nfs/dbraw/zinc/46/88/90/416468890.db2.gz FKKGERJMQQAVJV-UHFFFAOYSA-N 0 0 310.354 0.994 10 0 DCAERN Cn1cc(Cl)cc1C(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617663 416477908 /nfs/dbraw/zinc/47/79/08/416477908.db2.gz BDWKNAOIZKZRJF-CYBMUJFWSA-N 0 0 309.757 0.920 10 0 DCAERN CCOC1(C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)CCCC1 ZINC000583618982 416478951 /nfs/dbraw/zinc/47/89/51/416478951.db2.gz PNVSESLPDWXGHY-AWEZNQCLSA-N 0 0 308.382 0.964 10 0 DCAERN Cn1nnnc1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000583620119 416480561 /nfs/dbraw/zinc/48/05/61/416480561.db2.gz ABNWKJIUMCEIBQ-DOMZBBRYSA-N 0 0 313.365 0.199 10 0 DCAERN COCCC1(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)CCCC1 ZINC000583619119 416480791 /nfs/dbraw/zinc/48/07/91/416480791.db2.gz LLWKUSSRDMRFKL-HNNXBMFYSA-N 0 0 308.382 0.822 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@H](c3nncn3CC)C2)n1 ZINC000583622066 416480855 /nfs/dbraw/zinc/48/08/55/416480855.db2.gz JGBRSOGSGCFYAG-LBPRGKRZSA-N 0 0 318.381 0.930 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H](O)C(F)(F)F ZINC000361712144 416482092 /nfs/dbraw/zinc/48/20/92/416482092.db2.gz OVSNCLPCGBYTBF-QMMMGPOBSA-N 0 0 322.287 0.521 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCC(F)(F)[C@H](CO)C2)n1 ZINC000361717441 416483838 /nfs/dbraw/zinc/48/38/38/416483838.db2.gz PMDJDWXKWDKCLI-VIFPVBQESA-N 0 0 317.340 1.515 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C)C1CCOCC1 ZINC000361102188 416421365 /nfs/dbraw/zinc/42/13/65/416421365.db2.gz NNEPEKIPCUIFOH-YUTCNCBUSA-N 0 0 312.410 0.537 10 0 DCAERN COCCNC(=O)C1(NC(=O)Cn2ncc3ccccc32)CC1 ZINC000458347428 416453735 /nfs/dbraw/zinc/45/37/35/416453735.db2.gz MUYSZHBZOHENCX-UHFFFAOYSA-N 0 0 316.361 0.448 10 0 DCAERN OC[C@@H]1CCCCN1c1cc(NC[C@H](O)C(F)F)ncn1 ZINC000435605357 416525652 /nfs/dbraw/zinc/52/56/52/416525652.db2.gz SLRMEFNYJYIPDQ-UWVGGRQHSA-N 0 0 302.325 0.866 10 0 DCAERN Cc1conc1NC(=O)C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000435841858 416537114 /nfs/dbraw/zinc/53/71/14/416537114.db2.gz CCXVAFGUEZPKMT-UHFFFAOYSA-N 0 0 313.317 1.423 10 0 DCAERN C[C@H](CO)N(CC1CCC1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000435845743 416537452 /nfs/dbraw/zinc/53/74/52/416537452.db2.gz MXGCUUXUASFDNW-CXAGYDPISA-N 0 0 322.405 0.609 10 0 DCAERN Cn1ccc(NC(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 ZINC000592979447 416545477 /nfs/dbraw/zinc/54/54/77/416545477.db2.gz AXSJWAPQRGCKJX-UHFFFAOYSA-N 0 0 305.382 1.286 10 0 DCAERN CCS(=O)(=O)CC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362026844 416545384 /nfs/dbraw/zinc/54/53/84/416545384.db2.gz NCMIKXUWYSLGRJ-NSHDSACASA-N 0 0 313.375 0.767 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)NC[C@H](O)C(F)(F)F ZINC000361780016 416495871 /nfs/dbraw/zinc/49/58/71/416495871.db2.gz MHWHVBQCLOIDQE-QMMMGPOBSA-N 0 0 320.333 0.424 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434833222 416497712 /nfs/dbraw/zinc/49/77/12/416497712.db2.gz JLMQAIAPJGGVGK-LBPRGKRZSA-N 0 0 318.333 0.533 10 0 DCAERN Cc1noc(CN2CCN([C@H](C)c3nnnn3C3CC3)CC2)n1 ZINC000361836034 416507718 /nfs/dbraw/zinc/50/77/18/416507718.db2.gz CTYLDIGQJVCFBJ-SNVBAGLBSA-N 0 0 318.385 0.578 10 0 DCAERN CC[C@](C)(CO)NC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000435094994 416509590 /nfs/dbraw/zinc/50/95/90/416509590.db2.gz FRGBJFZJRFPDQU-CYBMUJFWSA-N 0 0 315.395 0.877 10 0 DCAERN O=S1(=O)CC[C@H](N(Cc2ncccn2)C[C@H]2CCCO2)C1 ZINC000361861067 416512289 /nfs/dbraw/zinc/51/22/89/416512289.db2.gz USHKBGKWNVTVGT-QWHCGFSZSA-N 0 0 311.407 0.645 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)C1 ZINC000598545786 416604178 /nfs/dbraw/zinc/60/41/78/416604178.db2.gz LPHJWNHBUADSIW-UHFFFAOYSA-N 0 0 322.365 0.642 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000437290510 416581562 /nfs/dbraw/zinc/58/15/62/416581562.db2.gz JYLXJNPVCQLXOM-ZJUUUORDSA-N 0 0 309.370 0.607 10 0 DCAERN O=C(NCCF)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000437546070 416584907 /nfs/dbraw/zinc/58/49/07/416584907.db2.gz LKYBTACEFIWKFU-UHFFFAOYSA-N 0 0 300.378 0.199 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2cnc(C(=O)OC)cn2)no1 ZINC000441718434 416680062 /nfs/dbraw/zinc/68/00/62/416680062.db2.gz RLKGIOMBOFSIAM-UHFFFAOYSA-N 0 0 319.321 0.874 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(C)s2)[C@@H](C)C1 ZINC000440578318 416640150 /nfs/dbraw/zinc/64/01/50/416640150.db2.gz MMCUVQHVTJAYAO-QMMMGPOBSA-N 0 0 310.379 0.469 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCOCC[C@H]1C ZINC000367752351 416651500 /nfs/dbraw/zinc/65/15/00/416651500.db2.gz FRBNFQUODBEMAO-VXGBXAGGSA-N 0 0 320.411 0.370 10 0 DCAERN CCN1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1C ZINC000441123870 416661557 /nfs/dbraw/zinc/66/15/57/416661557.db2.gz KLXGRWCTFLBIFM-WDEREUQCSA-N 0 0 321.425 0.917 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](OC)C[C@H]2C)C1 ZINC000441133841 416661938 /nfs/dbraw/zinc/66/19/38/416661938.db2.gz NVFLLBUEZSKGFH-AGIUHOORSA-N 0 0 312.414 0.999 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(n3ccnn3)C2)s1 ZINC000441293454 416667738 /nfs/dbraw/zinc/66/77/38/416667738.db2.gz WMWBVLRPUUTPDN-UHFFFAOYSA-N 0 0 320.378 0.627 10 0 DCAERN O=C(Cn1ccc(C(F)(F)F)n1)N1CC(n2ccnn2)C1 ZINC000368602696 416673505 /nfs/dbraw/zinc/67/35/05/416673505.db2.gz OGTFRSHPOKEQCX-UHFFFAOYSA-N 0 0 300.244 0.577 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2nnnn2C)[C@]12CCCO2 ZINC000545356278 416674079 /nfs/dbraw/zinc/67/40/79/416674079.db2.gz SBLGIIBJNVIKJM-MISXGVKJSA-N 0 0 324.385 0.078 10 0 DCAERN COCCN1CN(Cc2ccc(-n3cncn3)cc2)CC1=O ZINC000516880433 416749998 /nfs/dbraw/zinc/74/99/98/416749998.db2.gz PKFDFPMWQZQTIA-UHFFFAOYSA-N 0 0 301.350 0.515 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000548322155 416686308 /nfs/dbraw/zinc/68/63/08/416686308.db2.gz OAAWAJAHBHFNHU-NSHDSACASA-N 0 0 322.413 1.508 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2cc(C(C)(C)C)on2)no1 ZINC000442422544 416694722 /nfs/dbraw/zinc/69/47/22/416694722.db2.gz HXPURISXUXHLQG-UHFFFAOYSA-N 0 0 321.337 1.261 10 0 DCAERN O=S(=O)(CCN1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000368825166 416695974 /nfs/dbraw/zinc/69/59/74/416695974.db2.gz NLMMCVNDHYOETR-AWEZNQCLSA-N 0 0 310.419 0.477 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCCC2 ZINC000369085726 416722036 /nfs/dbraw/zinc/72/20/36/416722036.db2.gz SQJGJPQGOXKART-STQMWFEESA-N 0 0 310.394 0.699 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCCC2 ZINC000369085724 416722456 /nfs/dbraw/zinc/72/24/56/416722456.db2.gz SQJGJPQGOXKART-OLZOCXBDSA-N 0 0 310.394 0.699 10 0 DCAERN COc1cc(C[N@H+](C)CCCO)cc(OC)c1OCC(N)=O ZINC000442972524 416723431 /nfs/dbraw/zinc/72/34/31/416723431.db2.gz YEZFRIFFPBKQBK-UHFFFAOYSA-N 0 0 312.366 0.382 10 0 DCAERN CNc1ncc(C(=O)N2CCOC[C@H]2c2noc(C)n2)s1 ZINC000369225764 416735176 /nfs/dbraw/zinc/73/51/76/416735176.db2.gz KBCXTDABDSVYJP-QMMMGPOBSA-N 0 0 309.351 1.090 10 0 DCAERN C[C@@](O)(CC(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000369387376 416765016 /nfs/dbraw/zinc/76/50/16/416765016.db2.gz BWBIWCCSEMMVCP-NVXWUHKLSA-N 0 0 304.390 0.827 10 0 DCAERN COC(=O)[C@H](NC(=O)Cn1nc(C)cc1C)c1cccnc1 ZINC000558374770 416767519 /nfs/dbraw/zinc/76/75/19/416767519.db2.gz UYBLRMOTCDDPKO-CQSZACIVSA-N 0 0 302.334 0.925 10 0 DCAERN CCCNC(=O)CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369397976 416768797 /nfs/dbraw/zinc/76/87/97/416768797.db2.gz KTOSDBJORFSCOG-OAHLLOKOSA-N 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/nfs/dbraw/zinc/84/65/35/416846535.db2.gz HUSFKMBLGJHHOB-BMIGLBTASA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)CC(=O)N[C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC000444539220 416848448 /nfs/dbraw/zinc/84/84/48/416848448.db2.gz AIBSQKOQUSDZRS-BMIGLBTASA-N 0 0 315.366 0.803 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cncc(C(N)=O)n3)[C@H]2C1 ZINC000565267977 416959217 /nfs/dbraw/zinc/95/92/17/416959217.db2.gz ZSQHNDALHZBHEW-SDDRHHMPSA-N 0 0 303.366 0.634 10 0 DCAERN O=C1CNC(=O)N1CCN1CCO[C@H](COc2ccccc2)C1 ZINC000519264394 416898650 /nfs/dbraw/zinc/89/86/50/416898650.db2.gz WSGLWRMQANACRX-AWEZNQCLSA-N 0 0 319.361 0.318 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@@H](C3CC3)C2=O)c1 ZINC000445941224 416905182 /nfs/dbraw/zinc/90/51/82/416905182.db2.gz ISMFOXTVQHPIND-NSHDSACASA-N 0 0 309.347 0.430 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncns3)CC2)C1 ZINC000615810126 416916040 /nfs/dbraw/zinc/91/60/40/416916040.db2.gz MMILXFXETDPSIJ-GFCCVEGCSA-N 0 0 323.422 0.445 10 0 DCAERN Cc1c(NC(=O)Nc2ccn(CC(N)=O)n2)cccc1N(C)C ZINC000446258684 416917797 /nfs/dbraw/zinc/91/77/97/416917797.db2.gz OGUDWDBOLILQFS-UHFFFAOYSA-N 0 0 316.365 1.387 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@]1(CCO)CCOC1 ZINC000447072662 416964686 /nfs/dbraw/zinc/96/46/86/416964686.db2.gz MPMNMFAPZJTQPU-MLGOLLRUSA-N 0 0 306.362 0.463 10 0 DCAERN C[C@H](NC(=O)COc1cnn(C)c1)c1nnc2ccccn21 ZINC000520235379 416947647 /nfs/dbraw/zinc/94/76/47/416947647.db2.gz ZGVDJXSPWOKWKK-JTQLQIEISA-N 0 0 300.322 0.719 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)s2)C(C)(C)C1 ZINC000632182375 416948208 /nfs/dbraw/zinc/94/82/08/416948208.db2.gz HCJMRIVMAVULEM-UHFFFAOYSA-N 0 0 319.408 0.480 10 0 DCAERN O=C(c1cnnn1-c1cccc(F)c1)N1CC(n2ccnn2)C1 ZINC000447531816 417005741 /nfs/dbraw/zinc/00/57/41/417005741.db2.gz STBAEJYIUQHCRA-UHFFFAOYSA-N 0 0 313.296 0.695 10 0 DCAERN NC(=O)C[C@@H](N)C(=O)NCc1ccsc1Br ZINC000388417663 417096955 /nfs/dbraw/zinc/09/69/55/417096955.db2.gz FXHRRGUMPYYWSF-ZCFIWIBFSA-N 0 0 306.185 0.330 10 0 DCAERN COc1ccc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 ZINC000447902072 417037100 /nfs/dbraw/zinc/03/71/00/417037100.db2.gz IYTUAMCSBRGZCG-QGZVFWFLSA-N 0 0 316.357 0.924 10 0 DCAERN c1cnc(-c2noc(-c3ccnc(N4CCOCC4)n3)n2)cn1 ZINC000624443551 417039616 /nfs/dbraw/zinc/03/96/16/417039616.db2.gz HNENNIPFXTXFBB-UHFFFAOYSA-N 0 0 311.305 0.820 10 0 DCAERN COc1nc(NC[C@@H]2COCCN2C)ncc1Br ZINC000624620163 417069351 /nfs/dbraw/zinc/06/93/51/417069351.db2.gz WRXQCTQWMCKDLK-MRVPVSSYSA-N 0 0 317.187 0.990 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1CNCCN1S(C)(=O)=O ZINC000616605100 417082904 /nfs/dbraw/zinc/08/29/04/417082904.db2.gz RZDBSURBXYMECP-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN CC(=O)Nc1cccc([C@H]2CN(S(N)(=O)=O)CCCO2)c1 ZINC000616599063 417085550 /nfs/dbraw/zinc/08/55/50/417085550.db2.gz WJXBBHWVTUESGF-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cccc(CO)c1 ZINC000448543049 417085768 /nfs/dbraw/zinc/08/57/68/417085768.db2.gz PCXITFAMHXXGPA-INIZCTEOSA-N 0 0 302.330 0.730 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ccncn2)C1 ZINC000616633484 417087027 /nfs/dbraw/zinc/08/70/27/417087027.db2.gz AZNOLYSEKJYZEY-ZDUSSCGKSA-N 0 0 307.398 0.948 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616650229 417087399 /nfs/dbraw/zinc/08/73/99/417087399.db2.gz AZLHMBIQIDMWNR-SNVBAGLBSA-N 0 0 323.415 0.196 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2ccnnc2)C1 ZINC000616655683 417091047 /nfs/dbraw/zinc/09/10/47/417091047.db2.gz XDZNQBVFSROSKI-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC000404195078 417117996 /nfs/dbraw/zinc/11/79/96/417117996.db2.gz HUNJAXPYMAQAJJ-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN O=C(c1nscc1Br)N1C[C@@H](O)[C@H](CO)C1 ZINC000404883124 417121804 /nfs/dbraw/zinc/12/18/04/417121804.db2.gz CLEOQJSMULXWBW-CAHLUQPWSA-N 0 0 307.169 0.331 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)C[C@@H]21 ZINC000408023847 417133296 /nfs/dbraw/zinc/13/32/96/417133296.db2.gz WGSWNSUVWKYEMM-AEGPPILISA-N 0 0 319.409 0.382 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408084528 417140724 /nfs/dbraw/zinc/14/07/24/417140724.db2.gz RAVNYPGXBKMTSQ-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000408333349 417157108 /nfs/dbraw/zinc/15/71/08/417157108.db2.gz CUPYZVKJGGCKOG-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](O)C1(C)C ZINC000408377646 417157748 /nfs/dbraw/zinc/15/77/48/417157748.db2.gz RJSHMWLRQDJUDJ-SECBINFHSA-N 0 0 302.352 0.221 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408393507 417158026 /nfs/dbraw/zinc/15/80/26/417158026.db2.gz MXNWFJHKAKVRPM-NEPJUHHUSA-N 0 0 323.393 0.590 10 0 DCAERN CC1(C)CN(C(=O)COC[C@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000526036946 417178388 /nfs/dbraw/zinc/17/83/88/417178388.db2.gz YLUXCZDWUXNKDD-CJNGLKHVSA-N 0 0 313.394 0.979 10 0 DCAERN C/C=C\C[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)OCC ZINC000450908893 417281431 /nfs/dbraw/zinc/28/14/31/417281431.db2.gz IBNMYCCMEQMIEI-MZBZXASESA-N 0 0 303.380 0.578 10 0 DCAERN CC1(C)CN(C(=O)COC2CCOCC2)C[C@]2(CCOC2)O1 ZINC000527276890 417233197 /nfs/dbraw/zinc/23/31/97/417233197.db2.gz XEIATFCMPUIDET-INIZCTEOSA-N 0 0 313.394 0.979 10 0 DCAERN COC[C@@]1(C(N)=O)CCCN1Cc1ncnn1-c1ccccc1 ZINC000643823438 417389789 /nfs/dbraw/zinc/38/97/89/417389789.db2.gz SAUCKVLEDWMIJE-MRXNPFEDSA-N 0 0 315.377 0.734 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@H](OC)C[C@H]1c1ncc[nH]1 ZINC000643859207 417403355 /nfs/dbraw/zinc/40/33/55/417403355.db2.gz ZJZRJEMDKAOFKH-MNOVXSKESA-N 0 0 302.400 0.111 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@@H]2CCc3nc(COC)nn3C2)C1=O ZINC000571118415 417424409 /nfs/dbraw/zinc/42/44/09/417424409.db2.gz NYPJIOFXMIBPMQ-YHROSDCASA-N 0 0 319.365 0.626 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2(C(=O)C3CC3)CC2)CC12COC2 ZINC000452218443 417459865 /nfs/dbraw/zinc/45/98/65/417459865.db2.gz GEBDSLDBISLTAJ-LBPRGKRZSA-N 0 0 321.373 0.784 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnn3c2CCC3)CC12COC2 ZINC000452217059 417460892 /nfs/dbraw/zinc/46/08/92/417460892.db2.gz BHRYPTHZVUOYOE-LBPRGKRZSA-N 0 0 319.361 0.481 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(CC)n[nH]2)CC12COC2 ZINC000452218370 417460968 /nfs/dbraw/zinc/46/09/68/417460968.db2.gz BNFFUNSMPAOECN-NSHDSACASA-N 0 0 307.350 0.624 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)COC2CCCC2)CC12COC2 ZINC000452253149 417461498 /nfs/dbraw/zinc/46/14/98/417461498.db2.gz DVJJWAGZVMOYGH-ZDUSSCGKSA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC2(O)CCCC2)CC12COC2 ZINC000452256055 417462615 /nfs/dbraw/zinc/46/26/15/417462615.db2.gz GXNGMKVXBVLKGJ-LBPRGKRZSA-N 0 0 311.378 0.720 10 0 DCAERN Cn1cc(OCC(=O)NC[C@@H](O)Cc2cccc(F)c2)cn1 ZINC000452246344 417462937 /nfs/dbraw/zinc/46/29/37/417462937.db2.gz NMEQBGUCJUXQQS-ZDUSSCGKSA-N 0 0 307.325 0.658 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000633688405 417478692 /nfs/dbraw/zinc/47/86/92/417478692.db2.gz RYKLPQIATQPVNE-LSDHHAIUSA-N 0 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/nfs/dbraw/zinc/56/27/57/417562757.db2.gz NNCALMXLEUKXIP-CABZTGNLSA-N 0 0 315.395 0.876 10 0 DCAERN CCc1noc(COC2CN(C(=O)[C@]3(C)CCC(=O)NC3)C2)n1 ZINC000644217602 417499721 /nfs/dbraw/zinc/49/97/21/417499721.db2.gz WQNATMFIPFQSOU-OAHLLOKOSA-N 0 0 322.365 0.276 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000633867842 417500427 /nfs/dbraw/zinc/50/04/27/417500427.db2.gz SGSFCUVAESUKIL-OSQNNJELSA-N 0 0 309.366 0.079 10 0 DCAERN CCc1noc(COC2CN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)n1 ZINC000644217600 417500387 /nfs/dbraw/zinc/50/03/87/417500387.db2.gz WQNATMFIPFQSOU-HNNXBMFYSA-N 0 0 322.365 0.276 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000575037174 417500485 /nfs/dbraw/zinc/50/04/85/417500485.db2.gz PMDAVAMPDMUYQU-WDSKDSINSA-N 0 0 314.271 1.451 10 0 DCAERN CC1(C)CN(CCN2CCCS2(=O)=O)C[C@]2(CCOC2)O1 ZINC000575181785 417519275 /nfs/dbraw/zinc/51/92/75/417519275.db2.gz WSBARSGMKKGNTP-AWEZNQCLSA-N 0 0 318.439 0.292 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000454823560 417581110 /nfs/dbraw/zinc/58/11/10/417581110.db2.gz JBFYSOWISSWXQA-TUAOUCFPSA-N 0 0 300.403 0.855 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000530521354 417581769 /nfs/dbraw/zinc/58/17/69/417581769.db2.gz QKEOKYARCDUNPM-VHSXEESVSA-N 0 0 315.395 0.562 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3nc(C)no3)CC2)C1 ZINC000530513585 417582154 /nfs/dbraw/zinc/58/21/54/417582154.db2.gz HCLHPPDAZPGBKY-QWHCGFSZSA-N 0 0 323.397 0.773 10 0 DCAERN C[C@@H](O)CN(CC(F)F)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000455133122 417594300 /nfs/dbraw/zinc/59/43/00/417594300.db2.gz JGNYOMHCWJZJAM-MRVPVSSYSA-N 0 0 305.329 1.513 10 0 DCAERN O=C(Nc1ccc(N2CCC2=O)cc1)C(=O)N[C@@H]1CCOC1 ZINC000439828720 287390395 /nfs/dbraw/zinc/39/03/95/287390395.db2.gz KLHAEJWUCHGIPN-LLVKDONJSA-N 0 0 303.318 0.267 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000455401276 417604341 /nfs/dbraw/zinc/60/43/41/417604341.db2.gz GRPPXRNOQVGZMN-SKDRFNHKSA-N 0 0 323.315 0.706 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)[C@H]1CCOC1 ZINC000440191793 287394068 /nfs/dbraw/zinc/39/40/68/287394068.db2.gz RWMSZWOYEOFTKY-QWRGUYRKSA-N 0 0 306.366 0.627 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000440399363 287400172 /nfs/dbraw/zinc/40/01/72/287400172.db2.gz QXHUJRGPOOKGBY-UHFFFAOYSA-N 0 0 323.418 0.532 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2cc(C)cn(C)c2=O)C1 ZINC000532533575 417683133 /nfs/dbraw/zinc/68/31/33/417683133.db2.gz WSOTYSZTMMBPHM-NSHDSACASA-N 0 0 321.381 0.619 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)nc1 ZINC000577050979 417658414 /nfs/dbraw/zinc/65/84/14/417658414.db2.gz UWLVQIJKPFQDAQ-ZDUSSCGKSA-N 0 0 306.366 0.316 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000532165089 417665846 /nfs/dbraw/zinc/66/58/46/417665846.db2.gz XESQCQHZRMYSKM-SKDRFNHKSA-N 0 0 316.404 0.507 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ncccc1Br ZINC000629246132 417767842 /nfs/dbraw/zinc/76/78/42/417767842.db2.gz WXVXMCXVYJZWIG-DTWKUNHWSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)c1ccc(OCC2CC2)cc1 ZINC000458134927 417722749 /nfs/dbraw/zinc/72/27/49/417722749.db2.gz JVOSBPWZRMRHAS-AWEZNQCLSA-N 0 0 316.361 0.858 10 0 DCAERN Cc1cc(C)c(CC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000458123883 417723306 /nfs/dbraw/zinc/72/33/06/417723306.db2.gz AEJWRPJYFMMWMO-AWEZNQCLSA-N 0 0 302.378 0.923 10 0 DCAERN C[C@H](Cc1ccccc1F)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458133509 417723926 /nfs/dbraw/zinc/72/39/26/417723926.db2.gz IGGCZUAHIFLCFU-YPMHNXCESA-N 0 0 306.341 0.773 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)c(C)c1 ZINC000458120201 417724048 /nfs/dbraw/zinc/72/40/48/417724048.db2.gz CYSZYEKMTKMJIO-ZDUSSCGKSA-N 0 0 304.350 0.451 10 0 DCAERN CCCOc1cccc(CC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458145736 417724624 /nfs/dbraw/zinc/72/46/24/417724624.db2.gz RDLDCPSRLYUSHS-AWEZNQCLSA-N 0 0 318.377 0.787 10 0 DCAERN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458142107 417724845 /nfs/dbraw/zinc/72/48/45/417724845.db2.gz OSJDNABRLJZENC-GFCCVEGCSA-N 0 0 322.340 0.752 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1ccnc(OC2CCC2)c1 ZINC000458149363 417725844 /nfs/dbraw/zinc/72/58/44/417725844.db2.gz UVOMFGBTMIOZNJ-GFCCVEGCSA-N 0 0 317.349 0.395 10 0 DCAERN O=C(C1CCN(c2cnccn2)CC1)N1C[C@@H](F)C[C@@H]1CO ZINC000444553592 287427570 /nfs/dbraw/zinc/42/75/70/287427570.db2.gz RRUNQRDVXFOUIA-QWHCGFSZSA-N 0 0 308.357 0.624 10 0 DCAERN CO[C@H]1COCC[C@H]1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000452633973 287483291 /nfs/dbraw/zinc/48/32/91/287483291.db2.gz KVEDCEZSNXFCET-AAEUAGOBSA-N 0 0 323.393 0.989 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CCN1CCO ZINC000188879750 545918005 /nfs/dbraw/zinc/91/80/05/545918005.db2.gz RTYWRUVOYVAXNL-NSHDSACASA-N 0 0 305.382 0.884 10 0 DCAERN CC[C@H](NC(=O)NCCc1cn2ccccc2n1)C(=O)NC ZINC000454239460 287492848 /nfs/dbraw/zinc/49/28/48/287492848.db2.gz JSLPRBWATHXCJO-LBPRGKRZSA-N 0 0 303.366 0.701 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C12CCC2 ZINC000458205273 287499845 /nfs/dbraw/zinc/49/98/45/287499845.db2.gz XEHUWLAZDQWKJW-WOSRLPQWSA-N 0 0 320.389 0.673 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)O1 ZINC000178185744 533682801 /nfs/dbraw/zinc/68/28/01/533682801.db2.gz JCUUXUPEQQZCHM-JQWIXIFHSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CCS1 ZINC000287720140 287515516 /nfs/dbraw/zinc/51/55/16/287515516.db2.gz JYKAYLJRKYCALS-GHMZBOCLSA-N 0 0 323.422 0.583 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1OC ZINC000488321507 287549555 /nfs/dbraw/zinc/54/95/55/287549555.db2.gz PZCOTRMFWUAFIE-GHMZBOCLSA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1csnc1C ZINC000488291715 287548422 /nfs/dbraw/zinc/54/84/22/287548422.db2.gz IPEMVCIOAMXNAQ-RKDXNWHRSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@@H]1CCOC1 ZINC000488289549 287548492 /nfs/dbraw/zinc/54/84/92/287548492.db2.gz UGAHKXGKTMXSHC-SDDRHHMPSA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(C)c1 ZINC000488572019 287553905 /nfs/dbraw/zinc/55/39/05/287553905.db2.gz HYSAQJNRTSCNDZ-QWRGUYRKSA-N 0 0 322.365 0.390 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1C(F)(F)F ZINC000299740990 229377432 /nfs/dbraw/zinc/37/74/32/229377432.db2.gz CPPVXJJFDPCMBO-RKDXNWHRSA-N 0 0 303.240 0.523 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 ZINC000300160063 229468381 /nfs/dbraw/zinc/46/83/81/229468381.db2.gz DITBSWOOVLIHFI-KKOKHZNYSA-N 0 0 305.396 0.815 10 0 DCAERN CCNS(=O)(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000179261557 261111916 /nfs/dbraw/zinc/11/19/16/261111916.db2.gz XRQJCMLYSJFCSB-JTQLQIEISA-N 0 0 310.379 0.229 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C[C@H](O)C(F)(F)F)CC2)n1 ZINC000181690059 261114956 /nfs/dbraw/zinc/11/49/56/261114956.db2.gz WUMCVOGTAFSHKM-WPRPVWTQSA-N 0 0 308.304 0.980 10 0 DCAERN CN(CCN1CCS(=O)(=O)CC1)Cc1ccc(F)cc1 ZINC000181683956 261115727 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/nfs/dbraw/zinc/12/92/78/261129278.db2.gz ZDVHFKYBJXUXHH-UHFFFAOYSA-N 0 0 301.331 0.747 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NC(=O)c1cn2ccnc2s1 ZINC000188672709 261129294 /nfs/dbraw/zinc/12/92/94/261129294.db2.gz NYWDFLMCUPGHFR-MRVPVSSYSA-N 0 0 301.393 0.949 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)cc1 ZINC000189419753 261131780 /nfs/dbraw/zinc/13/17/80/261131780.db2.gz IEOWNYQLELAEKO-UHFFFAOYSA-N 0 0 309.285 0.669 10 0 DCAERN CCN1CN(C(=O)CCc2nc(-c3ccncc3)no2)CC1=O ZINC000190496634 261134611 /nfs/dbraw/zinc/13/46/11/261134611.db2.gz CINJMEULBPGCLQ-UHFFFAOYSA-N 0 0 315.333 0.712 10 0 DCAERN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CNC(N)=O)c1 ZINC000193567013 261143210 /nfs/dbraw/zinc/14/32/10/261143210.db2.gz OYUKCHZEHDOXGL-JTQLQIEISA-N 0 0 306.366 0.956 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000193843532 261144144 /nfs/dbraw/zinc/14/41/44/261144144.db2.gz CZNYZBOMOJSRGJ-UHFFFAOYSA-N 0 0 300.403 0.411 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000194283219 261146035 /nfs/dbraw/zinc/14/60/35/261146035.db2.gz BVZJESSSMLBATF-GZMMTYOYSA-N 0 0 319.390 0.798 10 0 DCAERN COCCC[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000194576398 261146740 /nfs/dbraw/zinc/14/67/40/261146740.db2.gz ITJYHKBBIFRNRT-LBPRGKRZSA-N 0 0 306.362 0.612 10 0 DCAERN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CNC(=O)C1 ZINC000194787195 261148582 /nfs/dbraw/zinc/14/85/82/261148582.db2.gz BWFZNKMHLDWUIC-GFCCVEGCSA-N 0 0 301.346 0.997 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000228583414 261154160 /nfs/dbraw/zinc/15/41/60/261154160.db2.gz NAPNQTHMZZGVFK-GARJFASQSA-N 0 0 312.457 0.044 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC1(C)CCOCC1 ZINC000234609376 261155201 /nfs/dbraw/zinc/15/52/01/261155201.db2.gz JSVGCFLFFMACLR-GHMZBOCLSA-N 0 0 305.396 0.817 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC)c1C ZINC000266186142 261168229 /nfs/dbraw/zinc/16/82/29/261168229.db2.gz HBWRDULGFSEWTE-NSHDSACASA-N 0 0 314.411 0.419 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000317007492 261176554 /nfs/dbraw/zinc/17/65/54/261176554.db2.gz UKQMZWFCNJXMER-STQMWFEESA-N 0 0 308.378 0.657 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCN2CCCC2=O)[C@@H](C)C1 ZINC000357567780 261555754 /nfs/dbraw/zinc/55/57/54/261555754.db2.gz WPVJKBQFANZLGX-LBPRGKRZSA-N 0 0 310.398 0.261 10 0 DCAERN O=C(NCCNC(=O)c1cccs1)NCCc1cn[nH]c1 ZINC000357820118 261589583 /nfs/dbraw/zinc/58/95/83/261589583.db2.gz STNCPOQZECNWIL-UHFFFAOYSA-N 0 0 307.379 0.743 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](CO)C1CC1 ZINC000358338628 261658471 /nfs/dbraw/zinc/65/84/71/261658471.db2.gz MYZIPQRMFVVPTP-NSHDSACASA-N 0 0 302.330 0.417 10 0 DCAERN COCCN1C[C@H](C(=O)NCc2ccc3cc[nH]c3n2)CC1=O ZINC000358413262 261665574 /nfs/dbraw/zinc/66/55/74/261665574.db2.gz NWEPBAWLWSJNMF-GFCCVEGCSA-N 0 0 316.361 0.674 10 0 DCAERN COCCOCCN(C)C(=O)NCc1nnc2ccccn21 ZINC000358486608 261673304 /nfs/dbraw/zinc/67/33/04/261673304.db2.gz UQOHHQMLHGVQKS-UHFFFAOYSA-N 0 0 307.354 0.534 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NCCn2cccc2)n1 ZINC000358577136 261684947 /nfs/dbraw/zinc/68/49/47/261684947.db2.gz KEGIJZPPDMXRAT-UHFFFAOYSA-N 0 0 316.361 0.367 10 0 DCAERN COCCN(C(=O)N[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000359122776 261722754 /nfs/dbraw/zinc/72/27/54/261722754.db2.gz LXJKSWNYSUMXBL-GHMZBOCLSA-N 0 0 304.412 0.630 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000360181557 261805525 /nfs/dbraw/zinc/80/55/25/261805525.db2.gz CSHORQLPNLVROM-UHFFFAOYSA-N 0 0 315.333 0.432 10 0 DCAERN CN1CN(Cc2cccc(CN3CC(=O)N(C)C3)c2)CC1=O ZINC000360503512 261839416 /nfs/dbraw/zinc/83/94/16/261839416.db2.gz KRZBKVUVXIYLLG-UHFFFAOYSA-N 0 0 302.378 0.150 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)Cn1nc(C)cc1C ZINC000360741171 261868759 /nfs/dbraw/zinc/86/87/59/261868759.db2.gz RGDJQPVDDHTIKQ-STQMWFEESA-N 0 0 309.366 0.679 10 0 DCAERN CC(C)(O)CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360826260 261880854 /nfs/dbraw/zinc/88/08/54/261880854.db2.gz SWMHTXBDAPNBPI-LLVKDONJSA-N 0 0 318.439 0.468 10 0 DCAERN Cc1cc2cccnc2c(NC(=O)C(=O)N2CC(=O)N(C)C2)c1 ZINC000361181009 261903451 /nfs/dbraw/zinc/90/34/51/261903451.db2.gz VVTWRQGVZPDTAT-UHFFFAOYSA-N 0 0 312.329 0.740 10 0 DCAERN CN1CCC[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000361195791 261904466 /nfs/dbraw/zinc/90/44/66/261904466.db2.gz NKRFXZANGHWJTM-JOYOIKCWSA-N 0 0 323.315 0.706 10 0 DCAERN CN(C)C(=O)CCNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361194724 261904741 /nfs/dbraw/zinc/90/47/41/261904741.db2.gz VHXFMJNTYLIDIH-LBPRGKRZSA-N 0 0 321.377 0.994 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCC(=O)OC(C)C)[C@@H](C)C1 ZINC000361449100 261927062 /nfs/dbraw/zinc/92/70/62/261927062.db2.gz KHRKSCUUKDHPMX-LBPRGKRZSA-N 0 0 313.398 0.980 10 0 DCAERN Cc1cc(C)n(CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n1 ZINC000361533016 261935682 /nfs/dbraw/zinc/93/56/82/261935682.db2.gz JSAYCWCEYXAGQC-OAHLLOKOSA-N 0 0 311.382 0.709 10 0 DCAERN C/C=C/C[C@H](NC(=O)CN1CCCS1(=O)=O)C(=O)OCC ZINC000361563122 261938851 /nfs/dbraw/zinc/93/88/51/261938851.db2.gz LCSSKGQZDAWWTH-TZNOJPMFSA-N 0 0 318.395 0.036 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361986344 261987408 /nfs/dbraw/zinc/98/74/08/261987408.db2.gz QBWCRCYDAFASKU-AWEZNQCLSA-N 0 0 321.377 0.612 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000362126120 262002288 /nfs/dbraw/zinc/00/22/88/262002288.db2.gz QSFHVBFEUIGXMF-MNOVXSKESA-N 0 0 308.382 0.711 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000362197113 262008549 /nfs/dbraw/zinc/00/85/49/262008549.db2.gz BSRIZTWCMDQFTK-UHFFFAOYSA-N 0 0 321.312 0.701 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H](C)S(C)(=O)=O)no1 ZINC000362319647 262021668 /nfs/dbraw/zinc/02/16/68/262021668.db2.gz YQOWGKFZGMGKIJ-ZETCQYMHSA-N 0 0 318.351 0.246 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)Cn1nc(C)cc1C ZINC000362461759 262037694 /nfs/dbraw/zinc/03/76/94/262037694.db2.gz YECAJIALIJENIN-UONOGXRCSA-N 0 0 311.382 0.437 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362817548 262075533 /nfs/dbraw/zinc/07/55/33/262075533.db2.gz MGJSAAPIFBPXIS-LBPRGKRZSA-N 0 0 321.377 0.994 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@H](CO)NC(=O)C(C)C)c1 ZINC000362857784 262081900 /nfs/dbraw/zinc/08/19/00/262081900.db2.gz YCYYGRLXBDWABH-AWEZNQCLSA-N 0 0 321.377 0.741 10 0 DCAERN C[C@@](O)(C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CCC1 ZINC000362873772 262083300 /nfs/dbraw/zinc/08/33/00/262083300.db2.gz IULSQSFNBRYNDO-BBRMVZONSA-N 0 0 310.394 0.434 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c[nH]1 ZINC000362898047 262085285 /nfs/dbraw/zinc/08/52/85/262085285.db2.gz DOHLGYIEYSVUET-NSHDSACASA-N 0 0 322.346 0.160 10 0 DCAERN CCCCCN(CCO)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000362962188 262090135 /nfs/dbraw/zinc/09/01/35/262090135.db2.gz APMAUJSBBIBDCS-INIZCTEOSA-N 0 0 310.394 0.610 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000363793485 262130353 /nfs/dbraw/zinc/13/03/53/262130353.db2.gz IQZVVQDQQVZLFS-GFCCVEGCSA-N 0 0 320.393 0.642 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000363812002 262132442 /nfs/dbraw/zinc/13/24/42/262132442.db2.gz DNXFTWKGINSCRW-UHFFFAOYSA-N 0 0 311.407 0.926 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)N(C)C1CCCCC1 ZINC000392903646 262161538 /nfs/dbraw/zinc/16/15/38/262161538.db2.gz VDJDINRFWMWLIH-ZYHUDNBSSA-N 0 0 303.428 0.752 10 0 DCAERN C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000394200422 262161786 /nfs/dbraw/zinc/16/17/86/262161786.db2.gz SSBOWBUUKBOKDO-RKDXNWHRSA-N 0 0 307.803 0.998 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412070158 262180865 /nfs/dbraw/zinc/18/08/65/262180865.db2.gz JPJZBCRURZNABV-YSVLISHTSA-N 0 0 323.389 0.711 10 0 DCAERN O=C(CS(=O)(=O)Cc1ncccn1)NCc1ccccc1F ZINC000358741661 271066281 /nfs/dbraw/zinc/06/62/81/271066281.db2.gz JOPYZRVYHOXMCT-UHFFFAOYSA-N 0 0 323.349 0.847 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)N[C@@H]2CC(=O)N(C)C2)no1 ZINC000358882933 271078735 /nfs/dbraw/zinc/07/87/35/271078735.db2.gz LTINQDZFPQMVPE-MRVPVSSYSA-N 0 0 324.337 0.226 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@@H](COC)OC)no1 ZINC000359035311 271093668 /nfs/dbraw/zinc/09/36/68/271093668.db2.gz VUPPJWUTQUDJHR-UWVGGRQHSA-N 0 0 316.358 0.628 10 0 DCAERN CCOCCN(C)C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359219364 271104254 /nfs/dbraw/zinc/10/42/54/271104254.db2.gz BNDVMOYOLSFAMM-UHFFFAOYSA-N 0 0 309.366 0.244 10 0 DCAERN CCOCCN(CC)C(=O)C(=O)NCCc1cccc(OC)n1 ZINC000359218297 271104736 /nfs/dbraw/zinc/10/47/36/271104736.db2.gz BDJKQNGPAKVVEL-UHFFFAOYSA-N 0 0 323.393 0.634 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)CNCC(F)(F)F)no1 ZINC000359498012 271121703 /nfs/dbraw/zinc/12/17/03/271121703.db2.gz VWWNSTZWLRXEAR-ZETCQYMHSA-N 0 0 310.276 0.935 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000359610278 271132747 /nfs/dbraw/zinc/13/27/47/271132747.db2.gz MMKOWSLYAARYDB-PWSUYJOCSA-N 0 0 304.412 0.199 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000360942663 271168097 /nfs/dbraw/zinc/16/80/97/271168097.db2.gz RYIMOYKQEHNWCF-LLVKDONJSA-N 0 0 323.422 0.542 10 0 DCAERN C[C@@H](CO)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361272089 271176002 /nfs/dbraw/zinc/17/60/02/271176002.db2.gz MTWCEHWNJPRJJK-QMMMGPOBSA-N 0 0 301.320 0.149 10 0 DCAERN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cccc2ncnn21 ZINC000361294251 271180557 /nfs/dbraw/zinc/18/05/57/271180557.db2.gz DJWFGCAUILBOOD-ZETCQYMHSA-N 0 0 316.239 0.953 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000363900014 271207022 /nfs/dbraw/zinc/20/70/22/271207022.db2.gz KDHZENLDUYKMII-XSUJLISDSA-N 0 0 323.393 0.590 10 0 DCAERN C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000398715861 271218741 /nfs/dbraw/zinc/21/87/41/271218741.db2.gz QIYCTWVCPFMPRH-NDBYEHHHSA-N 0 0 306.428 0.291 10 0 DCAERN CC(C)COCCCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000436294677 271589767 /nfs/dbraw/zinc/58/97/67/271589767.db2.gz GHABMUHWROTDKR-MRXNPFEDSA-N 0 0 310.394 0.778 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCOc1ccccc1 ZINC000447904075 271804708 /nfs/dbraw/zinc/80/47/08/271804708.db2.gz OVXYUZZXEYQJRZ-QGZVFWFLSA-N 0 0 316.357 0.795 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnn3c2CCC3)CC12COC2 ZINC000452217058 271911316 /nfs/dbraw/zinc/91/13/16/271911316.db2.gz BHRYPTHZVUOYOE-GFCCVEGCSA-N 0 0 319.361 0.481 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)CCCO)c1 ZINC000452446331 271919711 /nfs/dbraw/zinc/91/97/11/271919711.db2.gz ZSQOURNXQLVLLN-NSHDSACASA-N 0 0 314.407 0.733 10 0 DCAERN CCOc1ccccc1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457980414 271939718 /nfs/dbraw/zinc/93/97/18/271939718.db2.gz UKXSYNURFHACNI-CYBMUJFWSA-N 0 0 319.365 0.537 10 0 DCAERN COc1cc(Cl)ccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148836 271944663 /nfs/dbraw/zinc/94/46/63/271944663.db2.gz UHJJDIDGHHNFJL-SNVBAGLBSA-N 0 0 310.741 0.731 10 0 DCAERN CSc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)n1 ZINC000459564384 272000863 /nfs/dbraw/zinc/00/08/63/272000863.db2.gz FEPPQDMDDZTKHZ-SECBINFHSA-N 0 0 308.367 0.578 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000471695422 272030103 /nfs/dbraw/zinc/03/01/03/272030103.db2.gz ZCBNLGZODSMECC-NEPJUHHUSA-N 0 0 320.345 0.829 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)OC ZINC000487118972 272038148 /nfs/dbraw/zinc/03/81/48/272038148.db2.gz BLUCAUHWOFLDJR-NXEZZACHSA-N 0 0 302.371 0.374 10 0 DCAERN CN(C[C@H]1CC=CCC1)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000489479940 272062854 /nfs/dbraw/zinc/06/28/54/272062854.db2.gz LOGNPNWQFMTDQT-LBPRGKRZSA-N 0 0 315.439 0.876 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccnc1 ZINC000491805044 272105074 /nfs/dbraw/zinc/10/50/74/272105074.db2.gz FSZMNXGGQCLMGA-GHMZBOCLSA-N 0 0 322.365 0.337 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)CC2)n1 ZINC000512413485 272398103 /nfs/dbraw/zinc/39/81/03/272398103.db2.gz XATQKFQNYDHPLM-JOCQHMNTSA-N 0 0 323.397 0.509 10 0 DCAERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529988420 272722763 /nfs/dbraw/zinc/72/27/63/272722763.db2.gz SYPKEIBZMXREBD-FBSDJGSXSA-N 0 0 318.420 0.937 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000530514305 272744251 /nfs/dbraw/zinc/74/42/51/272744251.db2.gz VEHJNPXKXZSIBW-WDEREUQCSA-N 0 0 321.443 0.571 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCSC[C@@H]1CCO ZINC000534343841 287813920 /nfs/dbraw/zinc/81/39/20/287813920.db2.gz PEDUUGQLQOFCKE-LBPRGKRZSA-N 0 0 313.423 0.742 10 0 DCAERN COc1cccc(CCC(=O)N2CC[C@@H](NC(N)=O)C2)c1OC ZINC000535713393 287837396 /nfs/dbraw/zinc/83/73/96/287837396.db2.gz QSQHILLLTYXQLX-GFCCVEGCSA-N 0 0 321.377 0.906 10 0 DCAERN COC(=O)[C@](C)(NC[C@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000536605958 287858879 /nfs/dbraw/zinc/85/88/79/287858879.db2.gz VDSOXJQLJXQAQN-GZBFAFLISA-N 0 0 301.383 0.474 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@@]2(CCOC2)O1 ZINC000408326942 287887884 /nfs/dbraw/zinc/88/78/84/287887884.db2.gz QZRQVBDZFLHZBM-IAQYHMDHSA-N 0 0 308.334 0.416 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)C[C@H]1N1CCOCC1 ZINC000333109524 287919327 /nfs/dbraw/zinc/91/93/27/287919327.db2.gz RUSOTQQPPYZIFR-XJFOESAGSA-N 0 0 324.425 0.016 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408038016 276946495 /nfs/dbraw/zinc/94/64/95/276946495.db2.gz JHFGTBWBNGXTNV-TZMCWYRMSA-N 0 0 307.394 0.467 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@@H](C)C1 ZINC000249396406 277057094 /nfs/dbraw/zinc/05/70/94/277057094.db2.gz GVWLTQIWXAALCF-MELADBBJSA-N 0 0 312.410 0.897 10 0 DCAERN CC(=O)c1ccc(N2C[C@@H](O)C3(CC3)C2)c(S(N)(=O)=O)c1 ZINC000376433735 277111953 /nfs/dbraw/zinc/11/19/53/277111953.db2.gz IXQXJUFZIDWFRN-CYBMUJFWSA-N 0 0 310.375 0.498 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3cc(C)ccn3)CC2)nn1 ZINC000153006345 277259025 /nfs/dbraw/zinc/25/90/25/277259025.db2.gz AQOAOENCCFSOGK-UHFFFAOYSA-N 0 0 312.377 0.866 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cnc2n[nH]nc2c1 ZINC000543534047 287958777 /nfs/dbraw/zinc/95/87/77/287958777.db2.gz OCOUZJHFLQJNLW-NSHDSACASA-N 0 0 303.322 0.909 10 0 DCAERN O=C(NCCc1ccc(F)cc1)N[C@H]1CCCN(CCO)C1=O ZINC000545312914 287995674 /nfs/dbraw/zinc/99/56/74/287995674.db2.gz RWRYZODAQLKPMC-AWEZNQCLSA-N 0 0 323.368 0.651 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@H](C)NS(C)(=O)=O)c1 ZINC000266886290 277968522 /nfs/dbraw/zinc/96/85/22/277968522.db2.gz HRQGVYIVTZRLRO-VIFPVBQESA-N 0 0 313.379 0.546 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000328695467 278007289 /nfs/dbraw/zinc/00/72/89/278007289.db2.gz GKKRBCWNWJJAJG-ZNMIVQPWSA-N 0 0 322.405 0.984 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000408055962 278017756 /nfs/dbraw/zinc/01/77/56/278017756.db2.gz YYIZCOFJNXRQKK-GUYCJALGSA-N 0 0 324.421 0.777 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CCOCC2)CC1 ZINC000364242084 278023298 /nfs/dbraw/zinc/02/32/98/278023298.db2.gz UXAKESALQLCXGN-AWEZNQCLSA-N 0 0 310.394 0.795 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000408051409 278032414 /nfs/dbraw/zinc/03/24/14/278032414.db2.gz OXNWKCSHFZDCJK-RSUWNVLCSA-N 0 0 310.394 0.290 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000408236652 278061526 /nfs/dbraw/zinc/06/15/26/278061526.db2.gz JZSKEWRYMMVZNX-NXEZZACHSA-N 0 0 308.350 0.384 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000329311591 278068701 /nfs/dbraw/zinc/06/87/01/278068701.db2.gz CRIQSWVLDAOAEP-NHIYQJMISA-N 0 0 308.378 0.138 10 0 DCAERN CC(C)c1nnnn1CC(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000174118880 278111148 /nfs/dbraw/zinc/11/11/48/278111148.db2.gz VFSJSXPQGKUZGL-UHFFFAOYSA-N 0 0 321.410 0.880 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)c2cn(CC3(C)COC3)nn2)n1 ZINC000546050379 288014234 /nfs/dbraw/zinc/01/42/34/288014234.db2.gz VEUKIOCNRPUBHC-UHFFFAOYSA-N 0 0 319.369 0.913 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@]2(CCOC2)O1 ZINC000408326532 288015655 /nfs/dbraw/zinc/01/56/55/288015655.db2.gz NEHIFGQCLMCHCP-MEBBXXQBSA-N 0 0 307.350 0.144 10 0 DCAERN CC1(C)CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000287761374 278232892 /nfs/dbraw/zinc/23/28/92/278232892.db2.gz UHLWNNYYLWEXTC-MNOVXSKESA-N 0 0 305.382 0.924 10 0 DCAERN CC(C)(C)NC(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000408426654 278358516 /nfs/dbraw/zinc/35/85/16/278358516.db2.gz VTTSUPHCKCIAED-NEPJUHHUSA-N 0 0 302.440 0.943 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000179563169 278477680 /nfs/dbraw/zinc/47/76/80/278477680.db2.gz GTIQKVRNEVGPMB-NXEZZACHSA-N 0 0 304.412 0.360 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@@H](C)NS(=O)(=O)CCC ZINC000038020731 278767539 /nfs/dbraw/zinc/76/75/39/278767539.db2.gz SJQVXRVXLOPRIQ-LLVKDONJSA-N 0 0 322.427 0.506 10 0 DCAERN O=C([C@@H](O)Cc1ccccc1Cl)N1CCN2CCOC[C@H]2C1 ZINC000547810956 288081983 /nfs/dbraw/zinc/08/19/83/288081983.db2.gz ZYFIFPHSAMUVND-HIFRSBDPSA-N 0 0 324.808 0.786 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172356820 278933982 /nfs/dbraw/zinc/93/39/82/278933982.db2.gz BPALCOKELHXYDH-ONXXMXGDSA-N 0 0 303.424 0.677 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)s1 ZINC000123849384 279017298 /nfs/dbraw/zinc/01/72/98/279017298.db2.gz GGNQNLYQYPWKNW-NSHDSACASA-N 0 0 324.406 0.323 10 0 DCAERN Cc1csc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)n1 ZINC000173988514 279042652 /nfs/dbraw/zinc/04/26/52/279042652.db2.gz IOVPOESSEHHLJO-GFCCVEGCSA-N 0 0 310.423 0.797 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C)S1 ZINC000548061397 288107513 /nfs/dbraw/zinc/10/75/13/288107513.db2.gz RVNPGDBTULGHFN-JMSVASOKSA-N 0 0 310.419 0.952 10 0 DCAERN CC(C)N(C[C@@H](C)O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408263555 279441432 /nfs/dbraw/zinc/44/14/32/279441432.db2.gz WZBMOTQBSJTDLS-VXGBXAGGSA-N 0 0 321.443 0.211 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)CC2(CCOCC2)O1 ZINC000548404425 288140413 /nfs/dbraw/zinc/14/04/13/288140413.db2.gz JHNHRCYIUDPBTC-LLVKDONJSA-N 0 0 319.361 0.591 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000091783883 279592019 /nfs/dbraw/zinc/59/20/19/279592019.db2.gz SRJJECBZJAZHHT-GFCCVEGCSA-N 0 0 301.302 0.668 10 0 DCAERN Cc1csc(NC(=O)CN2CCS(=O)(=O)CC2(C)C)n1 ZINC000548499649 288148766 /nfs/dbraw/zinc/14/87/66/288148766.db2.gz IINKBGJKOLCXET-UHFFFAOYSA-N 0 0 317.436 0.899 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cn2cccnc2n1 ZINC000548582618 288157168 /nfs/dbraw/zinc/15/71/68/288157168.db2.gz ZQYLLPBUGTWIHS-WCQYABFASA-N 0 0 320.349 0.280 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CC(=O)N1 ZINC000408461598 279791795 /nfs/dbraw/zinc/79/17/95/279791795.db2.gz ATLHGYMVSOWTFD-JTQLQIEISA-N 0 0 319.386 0.472 10 0 DCAERN Cc1nc2ccccc2n1CCNC(=O)CN1CCOCC1=O ZINC000548716899 288170233 /nfs/dbraw/zinc/17/02/33/288170233.db2.gz CTGXXKKTRCNMJD-UHFFFAOYSA-N 0 0 316.361 0.320 10 0 DCAERN C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@]2(CCCOC2)O1 ZINC000548828278 288180515 /nfs/dbraw/zinc/18/05/15/288180515.db2.gz YMDTUJZNYVFAJA-IUODEOHRSA-N 0 0 309.366 0.595 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328879389 280097553 /nfs/dbraw/zinc/09/75/53/280097553.db2.gz LIUDMDUPTYYOTK-UPJWGTAASA-N 0 0 308.382 0.776 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)nnn1C(C)C ZINC000329165067 280209670 /nfs/dbraw/zinc/20/96/70/280209670.db2.gz HIEPNSFRIUKZDW-STQMWFEESA-N 0 0 307.398 0.713 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000408201928 280366700 /nfs/dbraw/zinc/36/67/00/280366700.db2.gz GVVOUGFLPHQEHD-LJISPDSOSA-N 0 0 323.437 0.470 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)CCN1CC(F)F ZINC000408043759 280367655 /nfs/dbraw/zinc/36/76/55/280367655.db2.gz LGHUTKBBKNISRJ-MNOVXSKESA-N 0 0 318.368 0.717 10 0 DCAERN Cn1nnc(CNC(=O)NCc2ccnc(OC(F)F)c2)n1 ZINC000551646770 288231436 /nfs/dbraw/zinc/23/14/36/288231436.db2.gz FVNGFFHRFDCFOS-UHFFFAOYSA-N 0 0 313.268 0.206 10 0 DCAERN COc1cnc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nc1 ZINC000551900277 288242574 /nfs/dbraw/zinc/24/25/74/288242574.db2.gz GPPSKDWEVIYZCX-AWEZNQCLSA-N 0 0 320.393 0.668 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000552348322 288273047 /nfs/dbraw/zinc/27/30/47/288273047.db2.gz PEMQALYCMLBMER-UONOGXRCSA-N 0 0 312.410 0.947 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)C1 ZINC000552352727 288273287 /nfs/dbraw/zinc/27/32/87/288273287.db2.gz RHJKGMIMBMXNQX-CFVMTHIKSA-N 0 0 312.410 0.945 10 0 DCAERN CC[C@H]1CN(C[C@@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000118984144 288289774 /nfs/dbraw/zinc/28/97/74/288289774.db2.gz SSPMQEJOTKPBAB-KGLIPLIRSA-N 0 0 306.472 0.710 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000329509728 288299693 /nfs/dbraw/zinc/29/96/93/288299693.db2.gz BHTNMQHQWIBDRO-OLZOCXBDSA-N 0 0 303.428 0.122 10 0 DCAERN Cc1cc(CCNC(=O)Cn2nnc(-c3ccccc3)n2)on1 ZINC000553572716 288303266 /nfs/dbraw/zinc/30/32/66/288303266.db2.gz LIKPKQHKFRFVPZ-UHFFFAOYSA-N 0 0 312.333 0.995 10 0 DCAERN CC1(C)CN(CC(=O)NCC(F)(F)F)CCS1(=O)=O ZINC000155368584 281232344 /nfs/dbraw/zinc/23/23/44/281232344.db2.gz KRGFRADULZFWTN-UHFFFAOYSA-N 0 0 302.318 0.174 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408388834 281249251 /nfs/dbraw/zinc/24/92/51/281249251.db2.gz XSXWVUQXYFETNH-NWDGAFQWSA-N 0 0 323.393 0.734 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000553865999 288309324 /nfs/dbraw/zinc/30/93/24/288309324.db2.gz FETRZIKYJWEHPL-SNVBAGLBSA-N 0 0 314.411 0.408 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cn1 ZINC000554529871 288326702 /nfs/dbraw/zinc/32/67/02/288326702.db2.gz IRGZWCVWKCMFOJ-RISCZKNCSA-N 0 0 311.407 0.970 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750394 281887994 /nfs/dbraw/zinc/88/79/94/281887994.db2.gz QTTGTOYOVXARSH-GJZGRUSLSA-N 0 0 323.437 0.711 10 0 DCAERN CC[C@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1N1CCOCC1 ZINC000556393092 288375984 /nfs/dbraw/zinc/37/59/84/288375984.db2.gz CDGUFNVBGPDBEW-GXTWGEPZSA-N 0 0 320.393 0.668 10 0 DCAERN C[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)N1CCNC(=O)C1 ZINC000170763410 288388115 /nfs/dbraw/zinc/38/81/15/288388115.db2.gz HTQUSZKKPFJVAB-UKRRQHHQSA-N 0 0 317.389 0.407 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H](C)S1(=O)=O ZINC000558031602 288436090 /nfs/dbraw/zinc/43/60/90/288436090.db2.gz PMAIBRWFURZJNL-WDEREUQCSA-N 0 0 322.390 0.767 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@H](c3ccnn3C)C2)cn1 ZINC000560943708 288522300 /nfs/dbraw/zinc/52/23/00/288522300.db2.gz OECSUXGFPZBNGQ-LBPRGKRZSA-N 0 0 303.366 0.939 10 0 DCAERN CCN1C[C@H](NC(=O)c2cccc(C(=O)NC3CC3)c2)CC1=O ZINC000562782300 288597407 /nfs/dbraw/zinc/59/74/07/288597407.db2.gz WFWNGNSXOMVGOU-CQSZACIVSA-N 0 0 315.373 0.929 10 0 DCAERN CN(C(=O)[C@@H]1C[C@@]12CCOc1ccccc12)[C@@H]1COC[C@H]1O ZINC000329416177 288896939 /nfs/dbraw/zinc/89/69/39/288896939.db2.gz ZBVOOMXRDOWKST-ZOMKSWQUSA-N 0 0 303.358 0.945 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000155721325 288959815 /nfs/dbraw/zinc/95/98/15/288959815.db2.gz HROQCRSMDLDQPS-UHFFFAOYSA-N 0 0 321.377 0.755 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CN1CCCCCC1=O ZINC000329707655 289045050 /nfs/dbraw/zinc/04/50/50/289045050.db2.gz KQLUHVRYTZPSHW-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCn2ccnc2C1 ZINC000329503530 289047044 /nfs/dbraw/zinc/04/70/44/289047044.db2.gz AQYSDPQKAUPZGR-RBSFLKMASA-N 0 0 318.421 0.767 10 0 DCAERN CN(C)C[C@@H]1CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018299 289191021 /nfs/dbraw/zinc/19/10/21/289191021.db2.gz QJOMRUMTKKGVHM-NWDGAFQWSA-N 0 0 303.428 0.251 10 0 DCAERN COC[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000103363330 292750995 /nfs/dbraw/zinc/75/09/95/292750995.db2.gz RCILBQIDFCNNQC-LLVKDONJSA-N 0 0 314.407 0.836 10 0 DCAERN CN1CCN(CC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1=O ZINC000408438039 290039802 /nfs/dbraw/zinc/03/98/02/290039802.db2.gz DVSZOGWRCHRCGH-OLZOCXBDSA-N 0 0 311.426 0.016 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCCn4ccnc43)CCO2)[nH]1 ZINC000176473306 293125066 /nfs/dbraw/zinc/12/50/66/293125066.db2.gz HTGJDPPXBKIUFX-RYUDHWBXSA-N 0 0 316.365 0.787 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C[C@H]1O ZINC000408467605 293818834 /nfs/dbraw/zinc/81/88/34/293818834.db2.gz LSRPFXPRONFJNQ-FMKGYKFTSA-N 0 0 309.366 0.106 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC[C@@H]2C)C[C@H](C)O1 ZINC000330351429 297054798 /nfs/dbraw/zinc/05/47/98/297054798.db2.gz MFLPXQQRWLHPCC-BKWIFCJWSA-N 0 0 324.468 0.183 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c1=O ZINC000408399480 294167193 /nfs/dbraw/zinc/16/71/93/294167193.db2.gz HWFFUCYJFLBHAT-NSHDSACASA-N 0 0 321.255 0.015 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O ZINC000183857437 294399959 /nfs/dbraw/zinc/39/99/59/294399959.db2.gz SEFIWNCKQPXUAH-XHDPSFHLSA-N 0 0 306.366 0.939 10 0 DCAERN Cn1nc2c(cc1=O)CN(S(=O)(=O)[C@H]1C[C@@H]3CC[C@H]1C3)CC2 ZINC000333160507 294519460 /nfs/dbraw/zinc/51/94/60/294519460.db2.gz LUJOBGNGZXXGCT-SUNKGSAMSA-N 0 0 323.418 0.657 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cncc(Br)c1 ZINC000091783342 295159356 /nfs/dbraw/zinc/15/93/56/295159356.db2.gz GSVVZXZCISGAGP-SECBINFHSA-N 0 0 314.139 0.170 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C ZINC000188180988 533694378 /nfs/dbraw/zinc/69/43/78/533694378.db2.gz KTLQHXDJMFDLFX-VXGBXAGGSA-N 0 0 309.414 0.560 10 0 DCAERN C[C@H](C(=O)N1CCCCCC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247138015 298016857 /nfs/dbraw/zinc/01/68/57/298016857.db2.gz QZPFSDAYWLKKPM-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1c(C(=O)N2CCCO[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000407981298 300919395 /nfs/dbraw/zinc/91/93/95/300919395.db2.gz SIKIDCFQKPSRGU-JTQLQIEISA-N 0 0 312.391 0.893 10 0 DCAERN Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)cccc1S(N)(=O)=O ZINC000155723060 300937233 /nfs/dbraw/zinc/93/72/33/300937233.db2.gz LJDFYPZYWZLEOF-NXEZZACHSA-N 0 0 312.391 0.892 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000246738286 301250916 /nfs/dbraw/zinc/25/09/16/301250916.db2.gz MSINXOZRVAAVKT-SOUVJXGZSA-N 0 0 308.426 0.974 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(N)=O ZINC000183736656 301323822 /nfs/dbraw/zinc/32/38/22/301323822.db2.gz MQQIFTKWZVILDZ-SKDRFNHKSA-N 0 0 322.340 0.190 10 0 DCAERN Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NC1CCCC1 ZINC000006938508 301434118 /nfs/dbraw/zinc/43/41/18/301434118.db2.gz FJTSXBZVQSEGKU-UHFFFAOYSA-N 0 0 323.374 0.746 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2c2nccn2C)o1 ZINC000261972611 301673540 /nfs/dbraw/zinc/67/35/40/301673540.db2.gz IJOSURVYTKFKGW-LLVKDONJSA-N 0 0 310.379 0.657 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)o1 ZINC000408096917 301678806 /nfs/dbraw/zinc/67/88/06/301678806.db2.gz HFBKBRGRHXJGLN-ZJUUUORDSA-N 0 0 307.393 0.784 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)o1 ZINC000408096914 301679251 /nfs/dbraw/zinc/67/92/51/301679251.db2.gz HFBKBRGRHXJGLN-NXEZZACHSA-N 0 0 307.393 0.784 10 0 DCAERN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333155122 304762392 /nfs/dbraw/zinc/76/23/92/304762392.db2.gz LAYPPVNFSHRPHL-WRWGMCAJSA-N 0 0 307.437 0.672 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000408456190 302291892 /nfs/dbraw/zinc/29/18/92/302291892.db2.gz GPWONBUERCBYJZ-GHMZBOCLSA-N 0 0 318.420 0.586 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000181702372 302937012 /nfs/dbraw/zinc/93/70/12/302937012.db2.gz QVWUUJNYFDXAPD-CQSZACIVSA-N 0 0 306.391 0.755 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000163908936 302974583 /nfs/dbraw/zinc/97/45/83/302974583.db2.gz DHDRIZSITKZOCA-ZDUSSCGKSA-N 0 0 304.350 0.533 10 0 DCAERN Cn1ccnc1CNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000041511282 302989055 /nfs/dbraw/zinc/98/90/55/302989055.db2.gz UDLCURWIYRNEDW-UHFFFAOYSA-N 0 0 307.375 0.683 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC2CCOCC2)CCN1C ZINC000408301136 303006673 /nfs/dbraw/zinc/00/66/73/303006673.db2.gz OOJWICUDZBINDN-CYBMUJFWSA-N 0 0 307.398 0.597 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000408023568 303100595 /nfs/dbraw/zinc/10/05/95/303100595.db2.gz SGZLVXHSUOAOLL-RYUDHWBXSA-N 0 0 323.397 0.856 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000245684644 303306701 /nfs/dbraw/zinc/30/67/01/303306701.db2.gz AEBTXVAABHIQMB-SBMIAAHKSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000245684638 303306918 /nfs/dbraw/zinc/30/69/18/303306918.db2.gz AEBTXVAABHIQMB-PTRXPTGYSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246795152 303323486 /nfs/dbraw/zinc/32/34/86/303323486.db2.gz ATZVUVQQECVYIT-CABCVRRESA-N 0 0 307.369 0.759 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C ZINC000173573964 533705303 /nfs/dbraw/zinc/70/53/03/533705303.db2.gz AQUXLGOIYLKZLK-QWHCGFSZSA-N 0 0 320.455 0.130 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000332817134 332877836 /nfs/dbraw/zinc/87/78/36/332877836.db2.gz LDAKUKNTDDQYRK-HKUMRIAESA-N 0 0 301.408 0.885 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000570220252 332726467 /nfs/dbraw/zinc/72/64/67/332726467.db2.gz LKBJONJXUGGBAD-PWSUYJOCSA-N 0 0 302.334 0.957 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000187861004 332991562 /nfs/dbraw/zinc/99/15/62/332991562.db2.gz FWKCGISXUBMKCF-JTQLQIEISA-N 0 0 319.361 0.786 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@@]1(O)CCOC1)c1ccccc1 ZINC000178918427 333144791 /nfs/dbraw/zinc/14/47/91/333144791.db2.gz FJLOJXIZDHGBMG-ZBFHGGJFSA-N 0 0 306.362 0.522 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CCC3(CC3)CC2)C1 ZINC000582022193 333167800 /nfs/dbraw/zinc/16/78/00/333167800.db2.gz JRDOXHFULKCLSA-CYBMUJFWSA-N 0 0 321.421 0.953 10 0 DCAERN CN(C)c1nc(CN[C@@H](CC(N)=O)C2CCOCC2)ns1 ZINC000181932022 333173769 /nfs/dbraw/zinc/17/37/69/333173769.db2.gz USXRAKUZVWWTAS-JTQLQIEISA-N 0 0 313.427 0.364 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000387932002 333185918 /nfs/dbraw/zinc/18/59/18/333185918.db2.gz CWMLKWAQFVWMMR-GMTAPVOTSA-N 0 0 305.396 0.361 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCCOCC2CCC2)o1 ZINC000571222045 333683571 /nfs/dbraw/zinc/68/35/71/333683571.db2.gz LNDOJLOQGZSWCK-UHFFFAOYSA-N 0 0 302.352 0.474 10 0 DCAERN Cc1ccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000016377494 334267599 /nfs/dbraw/zinc/26/75/99/334267599.db2.gz VYLSGECTBKDUDE-NSHDSACASA-N 0 0 300.380 0.323 10 0 DCAERN CCCCNCC1=N[C@@H](c2ccc(S(N)(=O)=O)cc2)NO1 ZINC000584596399 337374161 /nfs/dbraw/zinc/37/41/61/337374161.db2.gz DUYDWFVGOVYZHO-CYBMUJFWSA-N 0 0 312.395 0.656 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173865689 341820478 /nfs/dbraw/zinc/82/04/78/341820478.db2.gz HRUFOPHFVLEQHX-AAEUAGOBSA-N 0 0 321.352 0.602 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000576969990 341872642 /nfs/dbraw/zinc/87/26/42/341872642.db2.gz JZYZMHWOZCOCKW-QJPTWQEYSA-N 0 0 304.412 0.678 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@]1(O)CCOC1)c1ccccc1 ZINC000178918406 341971432 /nfs/dbraw/zinc/97/14/32/341971432.db2.gz FJLOJXIZDHGBMG-GDBMZVCRSA-N 0 0 306.362 0.522 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@]1(O)CCOC1)C(C)C ZINC000178953300 341973393 /nfs/dbraw/zinc/97/33/93/341973393.db2.gz MXWDFHGDMGXURE-UKRRQHHQSA-N 0 0 300.399 0.441 10 0 DCAERN COC(=O)[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)CC(C)C ZINC000176438549 534261735 /nfs/dbraw/zinc/26/17/35/534261735.db2.gz NSAMFJLNFOZRAS-SNVBAGLBSA-N 0 0 309.366 0.689 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)no1 ZINC000182961558 534343396 /nfs/dbraw/zinc/34/33/96/534343396.db2.gz PZLNAVHCNLESAI-IUCAKERBSA-N 0 0 304.372 0.164 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000186666819 519356443 /nfs/dbraw/zinc/35/64/43/519356443.db2.gz OCDDEBXATUDZOQ-SNVBAGLBSA-N 0 0 319.365 0.307 10 0 DCAERN CC(C)(O)CNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188289476 519359641 /nfs/dbraw/zinc/35/96/41/519359641.db2.gz QAIQWMAKJQKCJV-CYBMUJFWSA-N 0 0 323.368 0.997 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000154571991 519509343 /nfs/dbraw/zinc/50/93/43/519509343.db2.gz VFZOIVDZMUNAAY-UHFFFAOYSA-N 0 0 320.397 0.923 10 0 DCAERN C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCN1CCO ZINC000187128009 534435120 /nfs/dbraw/zinc/43/51/20/534435120.db2.gz ZNHHXDROALOQSU-LLVKDONJSA-N 0 0 316.361 0.062 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000191343242 519647115 /nfs/dbraw/zinc/64/71/15/519647115.db2.gz DHXWANOZDPBHNF-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000364174367 519665034 /nfs/dbraw/zinc/66/50/34/519665034.db2.gz VCKGKISDIJAVJS-UHFFFAOYSA-N 0 0 305.382 0.810 10 0 DCAERN CC(C)C[C@@H](C)N(C)C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000246968784 519772193 /nfs/dbraw/zinc/77/21/93/519772193.db2.gz GPCTXVTWEWNJAC-CHWSQXEVSA-N 0 0 304.456 0.998 10 0 DCAERN CC(C)[C@@H](O)CC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000157167957 519800261 /nfs/dbraw/zinc/80/02/61/519800261.db2.gz GFHORJFSMQCJGT-ZFWWWQNUSA-N 0 0 316.467 0.718 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@H](F)C[C@@H]2CO)C1 ZINC000372500853 519867625 /nfs/dbraw/zinc/86/76/25/519867625.db2.gz CQIDFRVRJUWSDF-YNEHKIRRSA-N 0 0 300.374 0.956 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC000157531494 519870769 /nfs/dbraw/zinc/87/07/69/519870769.db2.gz JNLAHRXUTNEHPJ-GHMZBOCLSA-N 0 0 305.382 0.879 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000249606452 520124672 /nfs/dbraw/zinc/12/46/72/520124672.db2.gz ZVCULOFXHJKFDY-ZIAGYGMSSA-N 0 0 323.441 0.789 10 0 DCAERN CCCCN(C)C(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000154580560 520382549 /nfs/dbraw/zinc/38/25/49/520382549.db2.gz MEXSFOBFUPZBLI-FQEVSTJZSA-N 0 0 301.416 0.761 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC000266800957 520439894 /nfs/dbraw/zinc/43/98/94/520439894.db2.gz BUSAPLNDTMDJST-QWHCGFSZSA-N 0 0 320.393 0.593 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000189857200 520950325 /nfs/dbraw/zinc/95/03/25/520950325.db2.gz GXNLLLIKGGGXHR-BZNIZROVSA-N 0 0 321.377 0.915 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cncnc2)C1 ZINC000130177231 521101610 /nfs/dbraw/zinc/10/16/10/521101610.db2.gz OLZWBOUIHOVYSY-CQSZACIVSA-N 0 0 320.393 0.710 10 0 DCAERN CCN(CCc1nccs1)C(=O)CN(C)S(C)(=O)=O ZINC000131312984 521172735 /nfs/dbraw/zinc/17/27/35/521172735.db2.gz FBIUSLPKOJMZIE-UHFFFAOYSA-N 0 0 305.425 0.426 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1 ZINC000159213245 521597621 /nfs/dbraw/zinc/59/76/21/521597621.db2.gz GAGFJQSPTDVEHC-ZDUSSCGKSA-N 0 0 322.409 0.931 10 0 DCAERN CCN1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1=O ZINC000190475056 521606620 /nfs/dbraw/zinc/60/66/20/521606620.db2.gz FQRIBXKLSFVPOP-UHFFFAOYSA-N 0 0 316.361 0.410 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155620176 521633831 /nfs/dbraw/zinc/63/38/31/521633831.db2.gz MMQQUPGDKBPXSB-NSHDSACASA-N 0 0 322.390 0.879 10 0 DCAERN CCN1C[C@H](C(=O)N2CCC(c3ccnn3C)CC2)CC1=O ZINC000124237265 521727688 /nfs/dbraw/zinc/72/76/88/521727688.db2.gz FMTFROGBHWNILZ-CYBMUJFWSA-N 0 0 304.394 0.995 10 0 DCAERN CCNC(=O)C1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCC1 ZINC000365186800 521733341 /nfs/dbraw/zinc/73/33/41/521733341.db2.gz XXLPXDOKDNYXDZ-ZDUSSCGKSA-N 0 0 324.425 0.019 10 0 DCAERN Cc1cccc(C(=O)N2CCN3CCS(=O)(=O)C[C@@H]3C2)c1C ZINC000408524499 534593388 /nfs/dbraw/zinc/59/33/88/534593388.db2.gz MICPNVYOROGZNE-AWEZNQCLSA-N 0 0 322.430 0.858 10 0 DCAERN COC(=O)c1sc(N2CCOC[C@H]2C(N)=O)nc1Cl ZINC000129905290 522423362 /nfs/dbraw/zinc/42/33/62/522423362.db2.gz YTEUQMQTUMBPNC-YFKPBYRVSA-N 0 0 305.743 0.274 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NCC1(CCO)CC1 ZINC000157280352 522450890 /nfs/dbraw/zinc/45/08/90/522450890.db2.gz CUNSFARZMVAEGA-UHFFFAOYSA-N 0 0 319.404 0.976 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCCO)ncn1 ZINC000194469143 522568548 /nfs/dbraw/zinc/56/85/48/522568548.db2.gz DHSBMIGVQPWRPO-GFCCVEGCSA-N 0 0 322.413 0.559 10 0 DCAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000126738228 522598479 /nfs/dbraw/zinc/59/84/79/522598479.db2.gz ZRBGZRKILQCVEF-NEPJUHHUSA-N 0 0 324.402 0.491 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N[C@@](C)(CCO)COC ZINC000190055021 522649073 /nfs/dbraw/zinc/64/90/73/522649073.db2.gz NJFJFNHIVAKFID-INIZCTEOSA-N 0 0 311.426 0.991 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000188540991 522759148 /nfs/dbraw/zinc/75/91/48/522759148.db2.gz RBJJPBHIORBRBL-UONOGXRCSA-N 0 0 321.352 0.838 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H](CO)Cc1ccccc1 ZINC000125874451 523185257 /nfs/dbraw/zinc/18/52/57/523185257.db2.gz CIMDTLUECXYHRI-CQSZACIVSA-N 0 0 301.408 0.936 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000131287844 523249538 /nfs/dbraw/zinc/24/95/38/523249538.db2.gz BFIZJZLFOPYYJD-CYBMUJFWSA-N 0 0 322.409 0.654 10 0 DCAERN CO[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000190640862 523416657 /nfs/dbraw/zinc/41/66/57/523416657.db2.gz QISFLZNMYHDUBL-NWDGAFQWSA-N 0 0 323.397 0.558 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000369030131 523437736 /nfs/dbraw/zinc/43/77/36/523437736.db2.gz UWDSJLAJIMKUKB-SRVKXCTJSA-N 0 0 302.371 0.631 10 0 DCAERN CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000158500476 523630742 /nfs/dbraw/zinc/63/07/42/523630742.db2.gz GPULEGKLODJTTL-GZMMTYOYSA-N 0 0 320.271 0.500 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000162907335 523759476 /nfs/dbraw/zinc/75/94/76/523759476.db2.gz FWXQMRLCBLKTBG-AWEZNQCLSA-N 0 0 320.393 0.860 10 0 DCAERN COCCN1CCCN(C(=O)NCCn2cc(C)cn2)CC1=O ZINC000189682514 523820414 /nfs/dbraw/zinc/82/04/14/523820414.db2.gz HLFAIISPZNRKNC-UHFFFAOYSA-N 0 0 323.397 0.082 10 0 DCAERN COCCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190214270 523907700 /nfs/dbraw/zinc/90/77/00/523907700.db2.gz YMTKAKWGHSFUSB-ZDUSSCGKSA-N 0 0 309.341 0.872 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1cc(C)cc(C)c1 ZINC000187034938 523919770 /nfs/dbraw/zinc/91/97/70/523919770.db2.gz SITNRHKOKWXLNE-TZMCWYRMSA-N 0 0 304.346 0.770 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000365108251 523934838 /nfs/dbraw/zinc/93/48/38/523934838.db2.gz CDXHXBXUKCBWFO-SJLPKXTDSA-N 0 0 318.417 0.913 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)Nc1cccc(C)c1 ZINC000189568520 523997845 /nfs/dbraw/zinc/99/78/45/523997845.db2.gz XFYBXNHAYHVRIT-UKRRQHHQSA-N 0 0 306.362 0.932 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(C)c2)CC[C@H]1C ZINC000191310647 524004894 /nfs/dbraw/zinc/00/48/94/524004894.db2.gz MGLZAKIMJWZOJH-PWSUYJOCSA-N 0 0 307.350 0.207 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCC1=O ZINC000187898241 524011715 /nfs/dbraw/zinc/01/17/15/524011715.db2.gz VULIBYBXOYVZLR-AAEUAGOBSA-N 0 0 302.334 0.312 10 0 DCAERN COCCO[C@H]1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000189743909 524037366 /nfs/dbraw/zinc/03/73/66/524037366.db2.gz MSTXXKOKRHGXNC-UONOGXRCSA-N 0 0 322.409 0.571 10 0 DCAERN COc1ccc(CN2C[C@@H](C(=O)NCC[C@@H](C)O)CC2=O)cc1 ZINC000118720693 524040423 /nfs/dbraw/zinc/04/04/23/524040423.db2.gz RDESDNGJGHBCLB-OCCSQVGLSA-N 0 0 320.389 0.931 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000130707215 524042585 /nfs/dbraw/zinc/04/25/85/524042585.db2.gz IWNHGMNAPUCTCI-NSHDSACASA-N 0 0 307.398 0.691 10 0 DCAERN CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190749534 524093921 /nfs/dbraw/zinc/09/39/21/524093921.db2.gz WSNOLWHWWNCPBS-SECBINFHSA-N 0 0 318.370 0.837 10 0 DCAERN C[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)n1nnnc1C(C)(C)C ZINC000365087611 524112119 /nfs/dbraw/zinc/11/21/19/524112119.db2.gz GHWFVOHLMOYYQD-ZJUUUORDSA-N 0 0 308.386 0.269 10 0 DCAERN C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCc2ccccc2C1 ZINC000111587839 524203158 /nfs/dbraw/zinc/20/31/58/524203158.db2.gz GPTQWQMPFKCXTG-YOEHRIQHSA-N 0 0 317.433 0.880 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)N[C@H]1CCC(=O)NC1=O ZINC000156189101 524329628 /nfs/dbraw/zinc/32/96/28/524329628.db2.gz TYXRUDPQGBXYTQ-WPRPVWTQSA-N 0 0 305.338 0.781 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247400155 524353601 /nfs/dbraw/zinc/35/36/01/524353601.db2.gz RGYLSNRJZQPDBS-JHJVBQTASA-N 0 0 312.414 0.050 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccco2)C[C@@H]1N1CCOCC1 ZINC000188751903 524662035 /nfs/dbraw/zinc/66/20/35/524662035.db2.gz WEOGAVSXCIDVIA-RYUDHWBXSA-N 0 0 300.380 0.621 10 0 DCAERN C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1N1CCOCC1 ZINC000246916503 524786290 /nfs/dbraw/zinc/78/62/90/524786290.db2.gz IPFBGEVGOFPSER-QLFBSQMISA-N 0 0 312.410 0.219 10 0 DCAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC(C)(CO)CO)cc1 ZINC000183523811 524840750 /nfs/dbraw/zinc/84/07/50/524840750.db2.gz IDIAJVCSRVYHGQ-GWCFXTLKSA-N 0 0 306.362 0.754 10 0 DCAERN C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000185768365 524868873 /nfs/dbraw/zinc/86/88/73/524868873.db2.gz UDFRUAYDZNFILZ-ZRNGKTOUSA-N 0 0 318.420 0.173 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000158772310 524878927 /nfs/dbraw/zinc/87/89/27/524878927.db2.gz BTWGSKOYQKTJSD-UWVGGRQHSA-N 0 0 303.380 0.999 10 0 DCAERN Cc1ccc(N2CC[C@@H](NC(=O)N3CC(CO)C3)C2=O)cc1 ZINC000189276680 524970564 /nfs/dbraw/zinc/97/05/64/524970564.db2.gz IGYMGRKWVKAEKR-CQSZACIVSA-N 0 0 303.362 0.734 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249488163 524999180 /nfs/dbraw/zinc/99/91/80/524999180.db2.gz XNQBTCJQWQWWLV-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000130261646 525035726 /nfs/dbraw/zinc/03/57/26/525035726.db2.gz PBSBCGUULDRXOE-HIFRSBDPSA-N 0 0 321.425 0.815 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCOC2)C[C@@H](C)O1 ZINC000245942816 525044013 /nfs/dbraw/zinc/04/40/13/525044013.db2.gz VLHWZQSSEFWCHQ-JHJVBQTASA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)[C@@H]1CCCO1 ZINC000153403383 525050469 /nfs/dbraw/zinc/05/04/69/525050469.db2.gz RPCAOONHMNCSKH-SCZZXKLOSA-N 0 0 316.308 0.770 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)ccc1N(C)C ZINC000189539589 525111353 /nfs/dbraw/zinc/11/13/53/525111353.db2.gz VKOUUOFISBMKSQ-ZDUSSCGKSA-N 0 0 320.393 0.626 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000131186957 525145772 /nfs/dbraw/zinc/14/57/72/525145772.db2.gz YLFXUKWEKNVWOW-TXEJJXNPSA-N 0 0 303.362 0.976 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCC(=O)NC1CC1 ZINC000121975867 525357495 /nfs/dbraw/zinc/35/74/95/525357495.db2.gz RZTCOHWLAMQQCS-SNVBAGLBSA-N 0 0 307.350 0.573 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C)s1 ZINC000131461823 525410453 /nfs/dbraw/zinc/41/04/53/525410453.db2.gz OEPKWJSSSFMRNO-NXEZZACHSA-N 0 0 318.420 0.676 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)N(CCO)CCO)n1 ZINC000161930866 525562907 /nfs/dbraw/zinc/56/29/07/525562907.db2.gz QITALCWSQCHNRH-UHFFFAOYSA-N 0 0 304.350 0.999 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1C(N)=O ZINC000158824136 525586530 /nfs/dbraw/zinc/58/65/30/525586530.db2.gz LBWRGHCLJJLYOR-VHSXEESVSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)sc2nccn12 ZINC000270836248 525587215 /nfs/dbraw/zinc/58/72/15/525587215.db2.gz TYJQOYPGJGTYRC-QMMMGPOBSA-N 0 0 313.404 0.963 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)c(=O)c1 ZINC000194719766 525596571 /nfs/dbraw/zinc/59/65/71/525596571.db2.gz KENVLKIEZBQDJZ-ZDUSSCGKSA-N 0 0 300.362 0.906 10 0 DCAERN Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000162554393 525627479 /nfs/dbraw/zinc/62/74/79/525627479.db2.gz QDBZXSOOXJRLJU-NWDGAFQWSA-N 0 0 304.389 0.235 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ccnn1C ZINC000124441761 526024376 /nfs/dbraw/zinc/02/43/76/526024376.db2.gz IVRWNEMTFIWGCE-QWRGUYRKSA-N 0 0 301.412 0.633 10 0 DCAERN C[C@H](C(=O)NCC1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246304482 526041682 /nfs/dbraw/zinc/04/16/82/526041682.db2.gz CFGAZLAWSKUKJY-BZPMIXESSA-N 0 0 311.426 0.646 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248368415 526530353 /nfs/dbraw/zinc/53/03/53/526530353.db2.gz VECROBMEUXMXSX-NTZNESFSSA-N 0 0 306.366 0.430 10 0 DCAERN c1nnc(NCCCN2CCN(c3ncccn3)CC2)s1 ZINC000267970050 526623137 /nfs/dbraw/zinc/62/31/37/526623137.db2.gz VHXFOYLWHBPUIL-UHFFFAOYSA-N 0 0 305.411 0.952 10 0 DCAERN O=C(c1cc(N2CCCC2=O)ccc1F)N1CCNC(=O)CC1 ZINC000163675969 526623857 /nfs/dbraw/zinc/62/38/57/526623857.db2.gz JZRWQPLOGHCANU-UHFFFAOYSA-N 0 0 319.336 0.915 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000176890293 526642422 /nfs/dbraw/zinc/64/24/22/526642422.db2.gz NYNDHYJPMXRGRO-ZIAGYGMSSA-N 0 0 319.409 0.374 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCN1C(=O)CCCC1=O)C1CCCC1 ZINC000330902539 526818723 /nfs/dbraw/zinc/81/87/23/526818723.db2.gz PRZYTNNORVOGDX-OAHLLOKOSA-N 0 0 323.393 0.337 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H](O)C1CCCCC1 ZINC000364838000 527045369 /nfs/dbraw/zinc/04/53/69/527045369.db2.gz BXXBTWSJYDBJSI-GJZGRUSLSA-N 0 0 324.421 0.824 10 0 DCAERN NC(=O)c1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000190227481 527078732 /nfs/dbraw/zinc/07/87/32/527078732.db2.gz FYBLOKPUGUCEJS-UHFFFAOYSA-N 0 0 316.361 0.206 10 0 DCAERN Cn1cc(CC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154431654 527179852 /nfs/dbraw/zinc/17/98/52/527179852.db2.gz UWZFQMKZGAHIKT-ZDUSSCGKSA-N 0 0 302.382 0.481 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000247121444 527183810 /nfs/dbraw/zinc/18/38/10/527183810.db2.gz REUYTBWGADQVSC-MGPQQGTHSA-N 0 0 303.424 0.980 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247121434 527184108 /nfs/dbraw/zinc/18/41/08/527184108.db2.gz REUYTBWGADQVSC-MCIONIFRSA-N 0 0 303.424 0.980 10 0 DCAERN O=S(=O)(c1ccc(N2CCC[C@@H]2CO)nc1)N1CCCC1 ZINC000266357342 527277306 /nfs/dbraw/zinc/27/73/06/527277306.db2.gz KGLXDTDJHGIEBZ-GFCCVEGCSA-N 0 0 311.407 0.827 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)N[C@H]3CCC(=O)N(C)C3)CCO2)cn1 ZINC000267577170 527321092 /nfs/dbraw/zinc/32/10/92/527321092.db2.gz IKHGMVYBNQKZEM-QWHCGFSZSA-N 0 0 321.381 0.124 10 0 DCAERN Cn1cc([C@]2(C)NC(=O)N(C[C@H](O)C(F)(F)F)C2=O)cn1 ZINC000158334484 527326427 /nfs/dbraw/zinc/32/64/27/527326427.db2.gz GTPSCACMHSVONJ-XVKPBYJWSA-N 0 0 306.244 0.110 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2cc(F)cc(F)c2)C1)C1CC1 ZINC000187918611 527543792 /nfs/dbraw/zinc/54/37/92/527543792.db2.gz YGJCXRFRYQRNNW-UHFFFAOYSA-N 0 0 316.329 0.864 10 0 DCAERN CC(C)(C)C(=O)Cn1cc(C(=O)NCC2(CCO)CC2)nn1 ZINC000188052632 527566719 /nfs/dbraw/zinc/56/67/19/527566719.db2.gz PKUFALWOPCBSOV-UHFFFAOYSA-N 0 0 308.382 0.786 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N(CCO)CC(F)F ZINC000228068138 527571847 /nfs/dbraw/zinc/57/18/47/527571847.db2.gz JZFQCNQGMOURCD-UHFFFAOYSA-N 0 0 303.718 0.322 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000130930822 527652532 /nfs/dbraw/zinc/65/25/32/527652532.db2.gz PEALKZNIMWLTNH-ZDUSSCGKSA-N 0 0 318.381 0.871 10 0 DCAERN CCCCCNC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176571919 528199256 /nfs/dbraw/zinc/19/92/56/528199256.db2.gz PIHANUSIZONEOY-FQEVSTJZSA-N 0 0 301.416 0.809 10 0 DCAERN CCCCCNC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176571932 528199846 /nfs/dbraw/zinc/19/98/46/528199846.db2.gz PIHANUSIZONEOY-HXUWFJFHSA-N 0 0 301.416 0.809 10 0 DCAERN CC(C)C[C@H](CNC(=O)C1(O)CCC1)NC(=O)C1(O)CCC1 ZINC000185816000 528521606 /nfs/dbraw/zinc/52/16/06/528521606.db2.gz ABWVTMUTBJMKFU-GFCCVEGCSA-N 0 0 312.410 0.464 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408356635 528522177 /nfs/dbraw/zinc/52/21/77/528522177.db2.gz GBMBZDUCXSDIJP-LLVKDONJSA-N 0 0 321.468 0.271 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000299739877 529338763 /nfs/dbraw/zinc/33/87/63/529338763.db2.gz SPEOEGWLTVOXOC-QJPTWQEYSA-N 0 0 321.381 0.498 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NCCCOCCO ZINC000230773448 545948352 /nfs/dbraw/zinc/94/83/52/545948352.db2.gz JXNWYBCXNYEYME-UHFFFAOYSA-N 0 0 302.396 0.796 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 ZINC000283619236 536330252 /nfs/dbraw/zinc/33/02/52/536330252.db2.gz AITKGKHSXIIUJV-LLVKDONJSA-N 0 0 306.370 0.120 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN(CCO)CC2)c1 ZINC000457433965 536879896 /nfs/dbraw/zinc/87/98/96/536879896.db2.gz FBZBUIGNCNHPLU-UHFFFAOYSA-N 0 0 306.362 0.532 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCOC[C@H]2CC(N)=O)c1 ZINC000457852273 536879981 /nfs/dbraw/zinc/87/99/81/536879981.db2.gz VPKMZKACYDWZMQ-CYBMUJFWSA-N 0 0 320.345 0.498 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000457706981 536880239 /nfs/dbraw/zinc/88/02/39/536880239.db2.gz JCZPBYUUQSNPCF-OAHLLOKOSA-N 0 0 318.373 0.938 10 0 DCAERN COc1cnc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1 ZINC000283995968 537125463 /nfs/dbraw/zinc/12/54/63/537125463.db2.gz NBKABOZDZAEFLD-MNOVXSKESA-N 0 0 305.338 0.760 10 0 DCAERN CC[NH2+][C@@](C)(Cn1cc(I)cn1)C(=O)[O-] ZINC000070678559 545661497 /nfs/dbraw/zinc/66/14/97/545661497.db2.gz OEVPOZLNOAGXBJ-VIFPVBQESA-N 0 0 323.134 0.941 10 0 DCAERN CC[NH2+][C@@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678641 545661631 /nfs/dbraw/zinc/66/16/31/545661631.db2.gz KBDRIGXSYLGJSG-QMMMGPOBSA-N 0 0 323.134 0.941 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000117799992 545737184 /nfs/dbraw/zinc/73/71/84/545737184.db2.gz PVYMJRXUARNZHN-KGLIPLIRSA-N 0 0 309.366 0.164 10 0 DCAERN COC1(CNC(=O)N2CCC([C@@H](C)O)CC2)CCOCC1 ZINC000126390834 545769432 /nfs/dbraw/zinc/76/94/32/545769432.db2.gz BOOBBYCZDLDHTH-GFCCVEGCSA-N 0 0 300.399 0.984 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000129711458 545784019 /nfs/dbraw/zinc/78/40/19/545784019.db2.gz LZCWQXFVOOAXCT-SNVBAGLBSA-N 0 0 315.395 0.699 10 0 DCAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130728452 545788481 /nfs/dbraw/zinc/78/84/81/545788481.db2.gz GFMVJWKOCDBJPL-AAEUAGOBSA-N 0 0 318.377 0.960 10 0 DCAERN CCOCCC1(C(=O)NC[C@H](O)CN2CCOCC2)CCC1 ZINC000133018973 545797691 /nfs/dbraw/zinc/79/76/91/545797691.db2.gz JWSCYXTTXFVYSD-AWEZNQCLSA-N 0 0 314.426 0.393 10 0 DCAERN O=C(CN1CCCCCCC1=O)NC[C@@]1(CCO)CCOC1 ZINC000178088219 545893897 /nfs/dbraw/zinc/89/38/97/545893897.db2.gz FYQWGSJUHMQJTN-MRXNPFEDSA-N 0 0 312.410 0.684 10 0 DCAERN CCc1cc(NC(=O)COCC(=O)Nc2cc(CC)[nH]n2)n[nH]1 ZINC000182601502 545906373 /nfs/dbraw/zinc/90/63/73/545906373.db2.gz HIJYNYGBSAGUMY-UHFFFAOYSA-N 0 0 320.353 0.851 10 0 DCAERN CCCCN(CCCO)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000183362783 545907482 /nfs/dbraw/zinc/90/74/82/545907482.db2.gz QQLGFBPHGZWPTG-CQSZACIVSA-N 0 0 301.431 0.901 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3ccnc3s2)C[C@@H]1C ZINC000188569675 545918053 /nfs/dbraw/zinc/91/80/53/545918053.db2.gz RJEYQXMMPCVBIC-WDEREUQCSA-N 0 0 308.407 0.923 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000191757309 545926974 /nfs/dbraw/zinc/92/69/74/545926974.db2.gz AGKICSBWXBEBME-LLVKDONJSA-N 0 0 314.345 0.134 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000252979574 545975439 /nfs/dbraw/zinc/97/54/39/545975439.db2.gz ILRFXXHONHHAFD-MNOVXSKESA-N 0 0 314.411 0.791 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000329725943 546053987 /nfs/dbraw/zinc/05/39/87/546053987.db2.gz DQYZSXSRQBVBHA-SNVBAGLBSA-N 0 0 310.354 0.980 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332849261 546063956 /nfs/dbraw/zinc/06/39/56/546063956.db2.gz RPROVADJHGYVTI-YVECIDJPSA-N 0 0 309.370 0.068 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000333848626 546093863 /nfs/dbraw/zinc/09/38/63/546093863.db2.gz WTGVSJCIFACSCR-RDBSUJKOSA-N 0 0 308.426 0.781 10 0 DCAERN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000333970651 546097140 /nfs/dbraw/zinc/09/71/40/546097140.db2.gz VTLRQLAKHYKQIL-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N)cc1F ZINC000392843842 546220417 /nfs/dbraw/zinc/22/04/17/546220417.db2.gz AKYAWBSXUURHQS-GMSGAONNSA-N 0 0 301.343 0.353 10 0 DCAERN Cc1nc(C)c(Br)c(NC[C@H](C)S(N)(=O)=O)n1 ZINC000398217194 546223776 /nfs/dbraw/zinc/22/37/76/546223776.db2.gz AWXDFONVTQLKAA-YFKPBYRVSA-N 0 0 323.216 0.367 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000401913728 546226255 /nfs/dbraw/zinc/22/62/55/546226255.db2.gz YWBFEAMYYBRQLA-ZDUSSCGKSA-N 0 0 306.428 0.581 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC2(O)CCC2)c(C)c1 ZINC000443182192 546255681 /nfs/dbraw/zinc/25/56/81/546255681.db2.gz IOBVSZGGCDSEEQ-UHFFFAOYSA-N 0 0 313.375 0.975 10 0 DCAERN CCNC(=O)N1CC[C@@H](Nc2cc(OC)nc(COC)n2)C1 ZINC000443496925 546256531 /nfs/dbraw/zinc/25/65/31/546256531.db2.gz FFTVUWUDUJWVBT-SNVBAGLBSA-N 0 0 309.370 0.847 10 0 DCAERN COC[C@]1(CNC(=O)OC(C)(C)C)NCCc2ncn(C)c21 ZINC000725242599 548748927 /nfs/dbraw/zinc/74/89/27/548748927.db2.gz KDQXYHUQHSEWBA-HNNXBMFYSA-N 0 0 310.398 0.932 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CNc3nc(C(N)=O)nn32)C1 ZINC000232498717 563961822 /nfs/dbraw/zinc/96/18/22/563961822.db2.gz KTNFSJZKAYSIJN-BDAKNGLRSA-N 0 0 322.369 0.601 10 0 DCAERN NS(=O)(=O)c1ccc(CCCNC(=O)[C@@H]2CCCO2)cc1 ZINC000036134533 661115871 /nfs/dbraw/zinc/11/58/71/661115871.db2.gz DUSFBHQUMHHFPO-ZDUSSCGKSA-N 0 0 312.391 0.562 10 0 DCAERN Cc1ncc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c(C)n1 ZINC000888094799 661162542 /nfs/dbraw/zinc/16/25/42/661162542.db2.gz CUOPRDDSMAXBMN-YDHLFZDLSA-N 0 0 318.377 0.649 10 0 DCAERN Cn1cccc1C(=O)NCc1nc([C@@H]2COCCN2C)n[nH]1 ZINC000888095130 661165007 /nfs/dbraw/zinc/16/50/07/661165007.db2.gz QOYRAFJNMCRWQD-NSHDSACASA-N 0 0 304.354 0.076 10 0 DCAERN CNC(=O)c1cnc(C2CCN([C@@H](C)c3nnnn3C)CC2)o1 ZINC000888103211 661184516 /nfs/dbraw/zinc/18/45/16/661184516.db2.gz PIYKANARSZREHL-VIFPVBQESA-N 0 0 319.369 0.498 10 0 DCAERN CN(C)c1nc([C@H]2CCN(c3nccc(CO)n3)C2)cc(=O)[nH]1 ZINC000888099197 661178272 /nfs/dbraw/zinc/17/82/72/661178272.db2.gz UMVBUKKHVHMKBR-JTQLQIEISA-N 0 0 316.365 0.524 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc(Cl)nn1)c2=O ZINC000068282486 665412433 /nfs/dbraw/zinc/41/24/33/665412433.db2.gz NSHPOMNTNZGRCJ-UHFFFAOYSA-N 0 0 319.712 0.212 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000188591627 665443513 /nfs/dbraw/zinc/44/35/13/665443513.db2.gz OERCKKAXMUYHPM-ZWNMCFTASA-N 0 0 316.361 0.144 10 0 DCAERN CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CCN1C[C@@H](C)O ZINC000178222711 657577030 /nfs/dbraw/zinc/57/70/30/657577030.db2.gz JCGQJDWJUGXEFL-ZIAGYGMSSA-N 0 0 306.472 0.587 10 0 DCAERN NS(=O)(=O)C1(CNc2ncncc2Br)CCC1 ZINC000721544472 657639883 /nfs/dbraw/zinc/63/98/83/657639883.db2.gz VARRRTFROAGMFT-UHFFFAOYSA-N 0 0 321.200 0.862 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCc2ccnn2C)cc1 ZINC000186417531 665512711 /nfs/dbraw/zinc/51/27/11/665512711.db2.gz FFQNOBRYGBWBLD-UHFFFAOYSA-N 0 0 322.390 0.301 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)[C@H]1C ZINC000255580462 657934274 /nfs/dbraw/zinc/93/42/74/657934274.db2.gz NCQLJPUHBZIQRB-WDEREUQCSA-N 0 0 305.382 0.035 10 0 DCAERN CC(C)CCN(C(=O)C[C@@H]1CNCCS1(=O)=O)C1CC1 ZINC000725017206 658023272 /nfs/dbraw/zinc/02/32/72/658023272.db2.gz KAFSLMLQVKXULA-CYBMUJFWSA-N 0 0 302.440 0.800 10 0 DCAERN COC1(C(F)(F)F)CN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000724143924 658023611 /nfs/dbraw/zinc/02/36/11/658023611.db2.gz DFMMORHVSHRJSO-UHFFFAOYSA-N 0 0 313.301 0.978 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)N1CCc2sccc2C1 ZINC000725022045 658024047 /nfs/dbraw/zinc/02/40/47/658024047.db2.gz LKTJXJAEWPZWIL-LLVKDONJSA-N 0 0 314.432 0.410 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNCc1ncc(Cl)s1 ZINC000725042170 658079940 /nfs/dbraw/zinc/07/99/40/658079940.db2.gz GLYHCWFZKOMABO-MRVPVSSYSA-N 0 0 309.844 0.663 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725058363 658090360 /nfs/dbraw/zinc/09/03/60/658090360.db2.gz GZNXMMQHIMEDQT-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN CC(C)n1nnnc1CN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000175798488 658102181 /nfs/dbraw/zinc/10/21/81/658102181.db2.gz AFSVNVYLHJKODK-NSHDSACASA-N 0 0 309.443 0.863 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000725110140 658143679 /nfs/dbraw/zinc/14/36/79/658143679.db2.gz AZZIZTWLEGUGCJ-NWDGAFQWSA-N 0 0 316.448 0.804 10 0 DCAERN C#CCN(C(=O)Nc1cnn(CCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000091179619 658361275 /nfs/dbraw/zinc/36/12/75/658361275.db2.gz DKTKPPXQINDANK-CYBMUJFWSA-N 0 0 324.406 0.947 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCC([C@@H](C)O)CC2)cn1 ZINC000156795853 658390188 /nfs/dbraw/zinc/39/01/88/658390188.db2.gz DNDXJPPHFXZBRZ-LLVKDONJSA-N 0 0 308.382 0.851 10 0 DCAERN O=C(Cn1cncc(Br)c1=O)NCC(F)(F)F ZINC000090765277 658537234 /nfs/dbraw/zinc/53/72/34/658537234.db2.gz OOHGEAYWSAFOIF-UHFFFAOYSA-N 0 0 314.061 0.684 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000723352056 658639671 /nfs/dbraw/zinc/63/96/71/658639671.db2.gz IHPKSRMSKMTYKG-SECBINFHSA-N 0 0 317.798 0.800 10 0 DCAERN CC[C@H]1CN(CC(=O)N2CCO[C@H](C)C2)CCN1CC(F)F ZINC000179562031 658645417 /nfs/dbraw/zinc/64/54/17/658645417.db2.gz BCWSPLUPFPALFO-OLZOCXBDSA-N 0 0 319.396 0.895 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC[C@@H](O)C1(C)C ZINC000310473778 658648382 /nfs/dbraw/zinc/64/83/82/658648382.db2.gz JLYGOZPRJMLCEX-ZCFIWIBFSA-N 0 0 303.160 0.563 10 0 DCAERN Cn1ncc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1I ZINC000757192771 658656806 /nfs/dbraw/zinc/65/68/06/658656806.db2.gz NSQXLLSTPAVVJW-VDTYLAMSSA-N 0 0 321.118 0.412 10 0 DCAERN Cc1nc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)no1 ZINC000179623382 658657678 /nfs/dbraw/zinc/65/76/78/658657678.db2.gz WAQJJJVRJNUYRE-CQSZACIVSA-N 0 0 316.361 0.869 10 0 DCAERN COc1ccncc1CN1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077565 658720329 /nfs/dbraw/zinc/72/03/29/658720329.db2.gz IZGDBSMHIFXMOX-INIZCTEOSA-N 0 0 317.393 0.788 10 0 DCAERN COc1cncc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)n1 ZINC000888077556 658721010 /nfs/dbraw/zinc/72/10/10/658721010.db2.gz IMERJRXOYSCRHS-MWLCHTKSSA-N 0 0 303.322 0.811 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)c1Cl ZINC000311404164 659285183 /nfs/dbraw/zinc/28/51/83/659285183.db2.gz IIPDEXNCGRHIIH-DTWKUNHWSA-N 0 0 307.803 0.903 10 0 DCAERN O=C(c1ccc(Br)cn1)N1CCOC[C@@H]1CO ZINC000168171837 659322338 /nfs/dbraw/zinc/32/23/38/659322338.db2.gz KFKIOMDCCAAQDQ-VIFPVBQESA-N 0 0 301.140 0.677 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000188026778 659323840 /nfs/dbraw/zinc/32/38/40/659323840.db2.gz KASJSXIRGSGRCI-GHMZBOCLSA-N 0 0 315.395 0.681 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)N[C@](C)(C(C)(C)C)C1=O ZINC000193334046 659435487 /nfs/dbraw/zinc/43/54/87/659435487.db2.gz JJLGDMLZAZZJNN-BMIGLBTASA-N 0 0 310.398 0.511 10 0 DCAERN C[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)S(N)(=O)=O ZINC000398249743 659494752 /nfs/dbraw/zinc/49/47/52/659494752.db2.gz MDMYQGRHKAQWNB-GVDDXCRBSA-N 0 0 300.424 0.996 10 0 DCAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000333007687 659771884 /nfs/dbraw/zinc/77/18/84/659771884.db2.gz AJPSCECVNNQAMP-IJLUTSLNSA-N 0 0 320.397 0.912 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000095016697 661317845 /nfs/dbraw/zinc/31/78/45/661317845.db2.gz AFFULQADVLZQQE-FVCCEPFGSA-N 0 0 318.439 0.950 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C)[C@H](C(=O)OC)C2)nc1C ZINC000095019470 661318204 /nfs/dbraw/zinc/31/82/04/661318204.db2.gz ASZOBARUFRWLEL-GXSJLCMTSA-N 0 0 315.395 0.641 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)NNC(=O)c1ccccc1 ZINC000182221194 665754053 /nfs/dbraw/zinc/75/40/53/665754053.db2.gz OARWLAXCPUSACN-AAEUAGOBSA-N 0 0 318.377 0.033 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Cl)nc1Cl ZINC000236070614 661367136 /nfs/dbraw/zinc/36/71/36/661367136.db2.gz MHJUWDKAKIZNFR-ZCFIWIBFSA-N 0 0 302.117 0.923 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000338948013 661808896 /nfs/dbraw/zinc/80/88/96/661808896.db2.gz AFGNMKNWDMUGGE-RYUDHWBXSA-N 0 0 307.375 0.251 10 0 DCAERN O=C(NCC[C@@H]1CNCCS1(=O)=O)NCc1ccccc1 ZINC000721763387 661895732 /nfs/dbraw/zinc/89/57/32/661895732.db2.gz SDQXDBJTMZTCJV-CYBMUJFWSA-N 0 0 311.407 0.263 10 0 DCAERN CC[C@@H](OC(=O)c1cccc(S(=O)(=O)NC)c1)C(N)=O ZINC000726991210 662079857 /nfs/dbraw/zinc/07/98/57/662079857.db2.gz YVVKMDOADIHZMG-SNVBAGLBSA-N 0 0 300.336 0.015 10 0 DCAERN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(N)=O ZINC000029033126 662093163 /nfs/dbraw/zinc/09/31/63/662093163.db2.gz FHQZKNKBJJPAAH-MRVPVSSYSA-N 0 0 306.384 0.661 10 0 DCAERN O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000896175427 662247894 /nfs/dbraw/zinc/24/78/94/662247894.db2.gz VKGIZPUMUVKMSG-KBPBESRZSA-N 0 0 305.382 0.162 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)Cc1ccncc1 ZINC000357015156 665847014 /nfs/dbraw/zinc/84/70/14/665847014.db2.gz OLHHXNSLFSDMEK-CHWSQXEVSA-N 0 0 309.391 0.023 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000346674753 662427974 /nfs/dbraw/zinc/42/79/74/662427974.db2.gz CFDFVZIUUVRPPX-PROPWMHFSA-N 0 0 304.437 0.276 10 0 DCAERN CC(C)[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)N(C)C ZINC000729699919 662907535 /nfs/dbraw/zinc/90/75/35/662907535.db2.gz PUZDEXSYONUSAQ-JQWIXIFHSA-N 0 0 303.380 0.591 10 0 DCAERN CC(C)[C@@H](OC(=O)CS(=O)(=O)C1CCCC1)C(=O)N(C)C ZINC000729708324 662907703 /nfs/dbraw/zinc/90/77/03/662907703.db2.gz UCZPTCLGKPLCSH-CYBMUJFWSA-N 0 0 319.423 1.000 10 0 DCAERN Cc1nc(C)c(CC(=O)O[C@H](C(=O)N(C)C)C(C)C)c(=O)[nH]1 ZINC000729704043 662907844 /nfs/dbraw/zinc/90/78/44/662907844.db2.gz MZEMHDSPOYSWEQ-ZDUSSCGKSA-N 0 0 309.366 0.998 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)c1ccc2c(c1)nnn2C ZINC000729731232 662908589 /nfs/dbraw/zinc/90/85/89/662908589.db2.gz CWNSCPJIBLMPLC-UHFFFAOYSA-N 0 0 302.334 0.994 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cccn3nnnc23)CC(C)(C)O1 ZINC000897700442 662921208 /nfs/dbraw/zinc/92/12/08/662921208.db2.gz NJJJLUGNUPPTER-JTQLQIEISA-N 0 0 305.338 0.390 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N(CCO)CCO ZINC000040764550 663046734 /nfs/dbraw/zinc/04/67/34/663046734.db2.gz JOZPRUJCJXXGJV-BJMVGYQFSA-N 0 0 305.783 0.927 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@H](C)[C@@H](C)O)c1 ZINC000344896169 663079983 /nfs/dbraw/zinc/07/99/83/663079983.db2.gz GFDFKFCZRVIVRD-NXEZZACHSA-N 0 0 301.364 0.662 10 0 DCAERN COC(=O)C[C@H](NC(=O)c1ccnc2[nH]c(C)nc21)C(=O)OC ZINC000435455062 663198300 /nfs/dbraw/zinc/19/83/00/663198300.db2.gz CQNXCGOPGGWNLC-VIFPVBQESA-N 0 0 320.305 0.101 10 0 DCAERN COc1ccccc1/C=C\CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000255454874 663214719 /nfs/dbraw/zinc/21/47/19/663214719.db2.gz OFFVLIJTUZKNPL-SDQPKGBYSA-N 0 0 315.373 0.351 10 0 DCAERN CCCn1ccc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2C)c1 ZINC000907686453 663712279 /nfs/dbraw/zinc/71/22/79/663712279.db2.gz UZXFHXPKATXCSB-AWEZNQCLSA-N 0 0 316.409 0.928 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC(C)(C)O1 ZINC000908090791 663731616 /nfs/dbraw/zinc/73/16/16/663731616.db2.gz RYHBQBLRXIEGOL-CYZMBNFOSA-N 0 0 324.381 0.240 10 0 DCAERN O=C(Cc1ccc(O)c(F)c1)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909185715 663784492 /nfs/dbraw/zinc/78/44/92/663784492.db2.gz BXXFLJDABFVBPF-KYOSRNDESA-N 0 0 305.309 0.761 10 0 DCAERN O=C(Cc1cnn2ccccc12)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909193054 663786159 /nfs/dbraw/zinc/78/61/59/663786159.db2.gz HPWPHPNAWSBJLR-IVMMDQJWSA-N 0 0 311.345 0.564 10 0 DCAERN COC(=O)C12CC(C(=O)N[C@@H]3C[C@@H](O)[C@@H]3n3cccn3)(C1)C2 ZINC000909192355 663786183 /nfs/dbraw/zinc/78/61/83/663786183.db2.gz AQFSOTDICWCHIT-JMXNPYCNSA-N 0 0 305.334 0.017 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1cc2n(n1)CCCC2 ZINC000912030964 664133172 /nfs/dbraw/zinc/13/31/72/664133172.db2.gz JTJQQDRITLNUTD-CQSZACIVSA-N 0 0 320.393 0.209 10 0 DCAERN COc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3CO)c21 ZINC000912419125 664173807 /nfs/dbraw/zinc/17/38/07/664173807.db2.gz SHXNFVOKLPAFRM-LBPRGKRZSA-N 0 0 304.346 0.939 10 0 DCAERN CCN1C(=O)CN(CN2CCC(Nc3cccnn3)CC2)C1=O ZINC000156473477 664370426 /nfs/dbraw/zinc/37/04/26/664370426.db2.gz NZDNTZGAQNQVTO-UHFFFAOYSA-N 0 0 318.381 0.595 10 0 DCAERN Cn1c(-c2cccnc2)nn(CN2CCNC(=O)CC2)c1=S ZINC000044781403 664370966 /nfs/dbraw/zinc/37/09/66/664370966.db2.gz BMSIKIDXSMJFAY-UHFFFAOYSA-N 0 0 318.406 0.792 10 0 DCAERN CC(=O)N[C@H]1CCCN(Cn2c3cnccc3n(C)c2=O)C1 ZINC000156645243 664375965 /nfs/dbraw/zinc/37/59/65/664375965.db2.gz MVFCDVCQNSJFAG-LBPRGKRZSA-N 0 0 303.366 0.293 10 0 DCAERN Cc1c(C(=O)N2CCC(C(=O)NC(C)C)CC2)nn2c1OCC2 ZINC000223831354 664423661 /nfs/dbraw/zinc/42/36/61/664423661.db2.gz HBBXTMUVFLWACX-UHFFFAOYSA-N 0 0 320.393 0.961 10 0 DCAERN CCn1nc(C)c2c1cnn2CCC(=O)N1CCC(O)CC1 ZINC000223872397 664425405 /nfs/dbraw/zinc/42/54/05/664425405.db2.gz HXZVXZNCDRSOHA-UHFFFAOYSA-N 0 0 305.382 0.935 10 0 DCAERN CC(=O)N1CCN(C(=O)CCn2ncc3c2c(C)nn3C)CC1 ZINC000223862000 664425506 /nfs/dbraw/zinc/42/55/06/664425506.db2.gz PVGREFGLEHTIGA-UHFFFAOYSA-N 0 0 318.381 0.159 10 0 DCAERN CCN1CCN(CC(=O)OCCCC(F)(F)F)C(=O)C1=O ZINC000157385954 664470655 /nfs/dbraw/zinc/47/06/55/664470655.db2.gz QXAJXFIZAUITMJ-UHFFFAOYSA-N 0 0 310.272 0.563 10 0 DCAERN CCOCc1nc(Cl)cc(N2CCN(CCO)CC2)n1 ZINC000129740396 664480083 /nfs/dbraw/zinc/48/00/83/664480083.db2.gz IWALLDBUEWAREU-UHFFFAOYSA-N 0 0 300.790 0.781 10 0 DCAERN O=S(=O)(c1c(F)cc(F)cc1F)N1CCOC[C@@H]1CO ZINC000168647336 664527713 /nfs/dbraw/zinc/52/77/13/664527713.db2.gz VQCKXJMCCUZLIT-QMMMGPOBSA-N 0 0 311.281 0.486 10 0 DCAERN CS(=O)(=O)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000170786552 664590717 /nfs/dbraw/zinc/59/07/17/664590717.db2.gz NNYGNJDQQZEZMC-UHFFFAOYSA-N 0 0 314.388 0.558 10 0 DCAERN CS(=O)(=O)CCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000171179291 664604202 /nfs/dbraw/zinc/60/42/02/664604202.db2.gz QISKPGMEDWZYAA-UHFFFAOYSA-N 0 0 310.335 0.903 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NOCc2ccccc2)cn1 ZINC000171380813 664607843 /nfs/dbraw/zinc/60/78/43/664607843.db2.gz YGOCZMZLYVJTOP-UHFFFAOYSA-N 0 0 303.322 0.882 10 0 DCAERN CCONC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000171582633 664610333 /nfs/dbraw/zinc/61/03/33/664610333.db2.gz YFNUGKAEZIPNGI-LBPRGKRZSA-N 0 0 312.414 0.712 10 0 DCAERN CN1C(=O)OC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000062632206 664622143 /nfs/dbraw/zinc/62/21/43/664622143.db2.gz NKQRDYRHUWJADE-CQSZACIVSA-N 0 0 303.362 0.781 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000172612261 664623820 /nfs/dbraw/zinc/62/38/20/664623820.db2.gz XMDHOFCYDIBOTB-HTQZYQBOSA-N 0 0 320.802 0.396 10 0 DCAERN CCc1nsc(N2CCN(CN3CCOC3=S)CC2)n1 ZINC000173472626 664629559 /nfs/dbraw/zinc/62/95/59/664629559.db2.gz XDRLPLSYYLJBBN-UHFFFAOYSA-N 0 0 313.452 0.797 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000173707694 664630939 /nfs/dbraw/zinc/63/09/39/664630939.db2.gz BJNQXXRFBLJDQT-YGRLFVJLSA-N 0 0 312.391 0.915 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(C)C ZINC000730307196 664681932 /nfs/dbraw/zinc/68/19/32/664681932.db2.gz ARQRGOBBPIMZHX-GXSJLCMTSA-N 0 0 302.396 0.612 10 0 DCAERN Cc1ccc2oc(=O)n(CN3CCS(=O)(=O)[C@@H](C)C3)c2c1 ZINC000151604699 664707651 /nfs/dbraw/zinc/70/76/51/664707651.db2.gz LQPRCXOJXKMZOU-NSHDSACASA-N 0 0 310.375 0.979 10 0 DCAERN CCOc1ccnc(N2CCN(CN3C[C@@H](C)CC3=O)CC2)n1 ZINC000152675038 664768540 /nfs/dbraw/zinc/76/85/40/664768540.db2.gz DVJFWKIOTRXFRN-ZDUSSCGKSA-N 0 0 319.409 0.823 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CCC3(C2)OCCO3)cn1 ZINC000731191259 664842654 /nfs/dbraw/zinc/84/26/54/664842654.db2.gz CNIQVHYLIGNETD-UHFFFAOYSA-N 0 0 307.350 0.796 10 0 DCAERN CN1C(=S)N=NC1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000731226346 664846406 /nfs/dbraw/zinc/84/64/06/664846406.db2.gz WHTMEOWQMYNDFC-UHFFFAOYSA-N 0 0 322.394 0.554 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OCC2(O)CCCCC2)c1 ZINC000155079932 665233055 /nfs/dbraw/zinc/23/30/55/665233055.db2.gz ZXSYMGJMOWKRME-UHFFFAOYSA-N 0 0 306.362 0.976 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OCC2(O)CCCCC2)cc1 ZINC000155085456 665233368 /nfs/dbraw/zinc/23/33/68/665233368.db2.gz IARNPZKRFVPFBE-UHFFFAOYSA-N 0 0 306.362 0.976 10 0 DCAERN C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000170859919 665391355 /nfs/dbraw/zinc/39/13/55/665391355.db2.gz NBHZLXDZFLRHTG-JTQLQIEISA-N 0 0 318.402 0.988 10 0 DCAERN O=C(NC[C@H](O)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000186496995 666008080 /nfs/dbraw/zinc/00/80/80/666008080.db2.gz VRWQAMHAENGGRS-AWEZNQCLSA-N 0 0 310.313 0.782 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@H]1CCSC1 ZINC000704797013 667257405 /nfs/dbraw/zinc/25/74/05/667257405.db2.gz USDGIRPXFDEPQF-WDEREUQCSA-N 0 0 306.453 0.023 10 0 DCAERN Cc1cnn(C[C@H]2CN(Cn3cc([N+](=O)[O-])c(C)n3)CCO2)c1 ZINC000183333931 666024842 /nfs/dbraw/zinc/02/48/42/666024842.db2.gz TXRMQSCFMAOHMK-CYBMUJFWSA-N 0 0 320.353 0.963 10 0 DCAERN C[C@](O)(CNC(=O)NCCCn1ccnn1)c1ccsc1 ZINC000183549719 666067654 /nfs/dbraw/zinc/06/76/54/666067654.db2.gz AWOIJBQCPQBIBA-ZDUSSCGKSA-N 0 0 309.395 0.937 10 0 DCAERN CCCCOC(=O)CN1CCN(c2cc(OC)ncn2)CC1 ZINC000184086689 666182542 /nfs/dbraw/zinc/18/25/42/666182542.db2.gz YCSVAENUEZWGCF-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN O=c1oc(-c2ccccc2)nn1CN1CCO[C@]2(CCOC2)C1 ZINC000184270555 666193513 /nfs/dbraw/zinc/19/35/13/666193513.db2.gz LIJKBCOLGXVMJV-MRXNPFEDSA-N 0 0 317.345 0.952 10 0 DCAERN CC(C)(C)c1ccc(=O)n(CN2CCO[C@@]3(CCOC3)C2)n1 ZINC000184289570 666194548 /nfs/dbraw/zinc/19/45/48/666194548.db2.gz OHQCFKSFFHRQTG-INIZCTEOSA-N 0 0 307.394 0.990 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCC[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000184423429 666205704 /nfs/dbraw/zinc/20/57/04/666205704.db2.gz WMDSBOJBPAFQDZ-SBDDDAINSA-N 0 0 322.361 0.600 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC(N)=O)c1ccccc1 ZINC000358453789 666239326 /nfs/dbraw/zinc/23/93/26/666239326.db2.gz NNJMLJBKKBLFLX-STQMWFEESA-N 0 0 321.402 0.641 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccnn2C)CC1 ZINC000185001782 666316327 /nfs/dbraw/zinc/31/63/27/666316327.db2.gz VDKISEHDGBEECY-AWEZNQCLSA-N 0 0 309.414 0.061 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000125377542 666537171 /nfs/dbraw/zinc/53/71/71/666537171.db2.gz XAROJPNJIQOFCZ-YPMHNXCESA-N 0 0 313.361 0.993 10 0 DCAERN CNC(=O)CC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000185712407 666551501 /nfs/dbraw/zinc/55/15/01/666551501.db2.gz NIUYLXQCFHXFPI-UHFFFAOYSA-N 0 0 324.768 0.351 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000185760582 666562582 /nfs/dbraw/zinc/56/25/82/666562582.db2.gz QOXXRMOTXVCAJM-CYBMUJFWSA-N 0 0 304.346 0.857 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000733883038 666824201 /nfs/dbraw/zinc/82/42/01/666824201.db2.gz UDHXZVIIWHGPGW-ZRNGKTOUSA-N 0 0 302.421 0.751 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)CC1CCCCC1 ZINC000733878836 666823450 /nfs/dbraw/zinc/82/34/50/666823450.db2.gz LBDOELNHOYAJPO-FQEVSTJZSA-N 0 0 302.440 0.958 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000733964618 666832639 /nfs/dbraw/zinc/83/26/39/666832639.db2.gz RJNHGHBEMKTUOD-GIPWTMENSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(N2CCOCC2)nc1 ZINC000733963460 666832667 /nfs/dbraw/zinc/83/26/67/666832667.db2.gz RMSGXSXSUVBFGH-NRFANRHFSA-N 0 0 311.407 0.417 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cn(C)nc1-c1cccnc1 ZINC000733963349 666832755 /nfs/dbraw/zinc/83/27/55/666832755.db2.gz FCLAQZIYPGSDNW-NRFANRHFSA-N 0 0 306.391 0.981 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000733963298 666832832 /nfs/dbraw/zinc/83/28/32/666832832.db2.gz DBYFXBJJIRVBGN-FVINQWEUSA-N 0 0 320.480 0.819 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cn[nH]n1 ZINC000734361769 666869159 /nfs/dbraw/zinc/86/91/59/666869159.db2.gz RCTURJASOKEZNH-HNNXBMFYSA-N 0 0 313.361 0.957 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000734512593 666884578 /nfs/dbraw/zinc/88/45/78/666884578.db2.gz LEYJEOPPRYISPU-OAQYLSRUSA-N 0 0 309.347 0.460 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccc(C(=O)NC)cc1 ZINC000735090505 666950058 /nfs/dbraw/zinc/95/00/58/666950058.db2.gz QBBLJTLKAJIXID-NRFANRHFSA-N 0 0 311.407 0.614 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000735096019 666951583 /nfs/dbraw/zinc/95/15/83/666951583.db2.gz MIHIFSALQIWGEQ-UZJPJQLHSA-N 0 0 315.395 0.352 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000735095976 666951763 /nfs/dbraw/zinc/95/17/63/666951763.db2.gz MBRNGIXCFZAJIM-FVINQWEUSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(Cc2ccco2)CC1 ZINC000735110747 666954497 /nfs/dbraw/zinc/95/44/97/666954497.db2.gz LAOWVMIIBOCPCH-NRFANRHFSA-N 0 0 313.423 0.875 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000735197403 666965518 /nfs/dbraw/zinc/96/55/18/666965518.db2.gz QBUXDQJFEGNZPV-QFIPXVFZSA-N 0 0 323.374 0.960 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(SC)nc1 ZINC000735200445 666968318 /nfs/dbraw/zinc/96/83/18/666968318.db2.gz RDYNAUYWTUPSJW-HXUWFJFHSA-N 0 0 315.420 0.627 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1OC ZINC000735199071 666966122 /nfs/dbraw/zinc/96/61/22/666966122.db2.gz HMLVTVFRHHBNOS-OAQYLSRUSA-N 0 0 316.354 0.658 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccncn2)C1 ZINC000702797543 666993766 /nfs/dbraw/zinc/99/37/66/666993766.db2.gz QYLJMYCERIXNGK-JQWIXIFHSA-N 0 0 322.365 0.434 10 0 DCAERN Cn1cncc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702819284 667000777 /nfs/dbraw/zinc/00/07/77/667000777.db2.gz OQVSSUYKKFGNBH-PWSUYJOCSA-N 0 0 324.381 0.378 10 0 DCAERN C[C@@]1(CO)C[C@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000704158000 667191894 /nfs/dbraw/zinc/19/18/94/667191894.db2.gz FWIHAYXXUMILJQ-JSGCOSHPSA-N 0 0 305.440 0.552 10 0 DCAERN CN(C)c1nc([C@H]2CCN(C(=O)c3cncn3C)C2)cc(=O)[nH]1 ZINC000864836025 667287793 /nfs/dbraw/zinc/28/77/93/667287793.db2.gz FAJTXQBKUNNYSC-JTQLQIEISA-N 0 0 316.365 0.611 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Br)cnc1F ZINC000706733863 667422709 /nfs/dbraw/zinc/42/27/09/667422709.db2.gz LTXZQRMAIUPWMY-IUCAKERBSA-N 0 0 319.130 0.863 10 0 DCAERN CC1(C)CC(=O)NCCN1S(=O)(=O)c1cccnc1F ZINC000708143547 667442016 /nfs/dbraw/zinc/44/20/16/667442016.db2.gz CTYYXJDDPZOMMX-UHFFFAOYSA-N 0 0 301.343 0.510 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221833 667442302 /nfs/dbraw/zinc/44/23/02/667442302.db2.gz UTVVYYAKOXQINK-GFCCVEGCSA-N 0 0 302.396 0.381 10 0 DCAERN CCN(CCc1nccs1)Cn1nnc2c(cnn2C)c1=O ZINC000133999614 667499745 /nfs/dbraw/zinc/49/97/45/667499745.db2.gz SVFWMFQVYGKGSL-UHFFFAOYSA-N 0 0 319.394 0.504 10 0 DCAERN C[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000737292428 667588180 /nfs/dbraw/zinc/58/81/80/667588180.db2.gz DTETWNRPAUNHIV-OAQYLSRUSA-N 0 0 310.375 0.445 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000135579428 667611436 /nfs/dbraw/zinc/61/14/36/667611436.db2.gz CZHVEUGRGBXXGV-JTQLQIEISA-N 0 0 318.420 0.852 10 0 DCAERN COc1cccc(CN2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071946 667728345 /nfs/dbraw/zinc/72/83/45/667728345.db2.gz QXPZWZVLYIKWQN-MRXNPFEDSA-N 0 0 321.377 0.452 10 0 DCAERN CC(=O)NCc1cc(O[C@@H]2CCN(S(C)(=O)=O)C2)ccn1 ZINC000886080263 667729644 /nfs/dbraw/zinc/72/96/44/667729644.db2.gz RRWIOGPNTAEKLE-CYBMUJFWSA-N 0 0 313.379 0.130 10 0 DCAERN Cn1ccnc1[C@H]1[C@H](NC(=O)COCC2CC2)CCC(=O)N1C ZINC000886084798 667730046 /nfs/dbraw/zinc/73/00/46/667730046.db2.gz HWAQYEWSXGTNGI-IUODEOHRSA-N 0 0 320.393 0.625 10 0 DCAERN Cc1nnc(NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)nc1C ZINC000886081979 667730403 /nfs/dbraw/zinc/73/04/03/667730403.db2.gz PHMPUVCBFUJFSG-KBPBESRZSA-N 0 0 317.397 0.706 10 0 DCAERN Cn1ccnc1[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC(=O)N1C ZINC000886096719 667731450 /nfs/dbraw/zinc/73/14/50/667731450.db2.gz AGKORIKXACNISM-ZYHUDNBSSA-N 0 0 302.338 0.235 10 0 DCAERN Cc1ccc(OCC(=O)N2CCN(CC[S@@](C)=O)CC2)cc1 ZINC000741291130 667766676 /nfs/dbraw/zinc/76/66/76/667766676.db2.gz SCCAIWHDAQJKQU-JOCHJYFZSA-N 0 0 324.446 0.897 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](CO)Cc1ccccc1 ZINC000741420140 667770419 /nfs/dbraw/zinc/77/04/19/667770419.db2.gz XLCBDFHPUJVTRK-SPLOXXLWSA-N 0 0 312.435 0.905 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC(C2OCCO2)CC1 ZINC000741417570 667770463 /nfs/dbraw/zinc/77/04/63/667770463.db2.gz KSLCTULWUSHSGH-FQEVSTJZSA-N 0 0 304.412 0.550 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741424146 667770988 /nfs/dbraw/zinc/77/09/88/667770988.db2.gz BJUUXKHBDVWBKJ-NRFANRHFSA-N 0 0 322.308 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccc(-n2cnnn2)c1C ZINC000741423667 667770993 /nfs/dbraw/zinc/77/09/93/667770993.db2.gz HJFLZOAQEPFNCS-JOCHJYFZSA-N 0 0 322.394 0.861 10 0 DCAERN C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1N1CCOCC1 ZINC000742218786 667785110 /nfs/dbraw/zinc/78/51/10/667785110.db2.gz ORPUHWIXUQNSKG-HUUCEWRRSA-N 0 0 306.410 0.842 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)Cc1ccccc1Br ZINC000717416700 667789766 /nfs/dbraw/zinc/78/97/66/667789766.db2.gz ITRNDKDBDNXRHP-KWQFWETISA-N 0 0 302.168 0.850 10 0 DCAERN CCOC(=O)N1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000220521092 667795945 /nfs/dbraw/zinc/79/59/45/667795945.db2.gz RHQZUFAVFHABJG-NSHDSACASA-N 0 0 306.366 0.815 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2ccsc2)C[C@@H](C)O1 ZINC000224034540 667911903 /nfs/dbraw/zinc/91/19/03/667911903.db2.gz FOWSFLSMPCQWMP-CKYFFXLPSA-N 0 0 320.436 0.725 10 0 DCAERN COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1F ZINC000126485914 668611508 /nfs/dbraw/zinc/61/15/08/668611508.db2.gz NMNJTYKOSREALN-SNVBAGLBSA-N 0 0 316.354 0.550 10 0 DCAERN CN(C(=O)C[C@H]1CS(=O)(=O)CCN1)C1CCCCCC1 ZINC000126504830 668615467 /nfs/dbraw/zinc/61/54/67/668615467.db2.gz QGYZIDQERFRYLQ-LBPRGKRZSA-N 0 0 302.440 0.944 10 0 DCAERN Cc1cccc(CN(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126579565 668627651 /nfs/dbraw/zinc/62/76/51/668627651.db2.gz IMLFGCAPARJPFU-AWEZNQCLSA-N 0 0 310.419 0.730 10 0 DCAERN Cc1ccccc1[C@@H](C)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126674505 668639671 /nfs/dbraw/zinc/63/96/71/668639671.db2.gz RMLVPDOLEMDUBT-OLZOCXBDSA-N 0 0 310.419 0.949 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@H]1COc2ccccc21 ZINC000126784261 668658438 /nfs/dbraw/zinc/65/84/38/668658438.db2.gz MAKMCEJPALHLKS-PWSUYJOCSA-N 0 0 310.375 0.013 10 0 DCAERN CC[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000126801863 668663875 /nfs/dbraw/zinc/66/38/75/668663875.db2.gz QUIPYKQVCDNRIE-JHJVBQTASA-N 0 0 302.440 0.848 10 0 DCAERN O=C(Nc1cncc(Cl)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000932129977 669321748 /nfs/dbraw/zinc/32/17/48/669321748.db2.gz QGGCMJOPJJTCIL-GHMZBOCLSA-N 0 0 308.729 0.776 10 0 DCAERN CC[C@H]1CN(Cn2cnc(C(=O)OC)n2)CCN1CC(F)F ZINC000129226161 669381785 /nfs/dbraw/zinc/38/17/85/669381785.db2.gz CIPMNCZEOKPYHH-JTQLQIEISA-N 0 0 317.340 0.684 10 0 DCAERN Cn1cnn(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1=O ZINC000132133637 669705676 /nfs/dbraw/zinc/70/56/76/669705676.db2.gz ZJSPGBYOEFIWTE-LBPRGKRZSA-N 0 0 317.397 0.694 10 0 DCAERN COC[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000132629081 669735526 /nfs/dbraw/zinc/73/55/26/669735526.db2.gz MKBMRVRWRPBTGW-SYTKJHMZSA-N 0 0 308.334 0.065 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000793881718 669748788 /nfs/dbraw/zinc/74/87/88/669748788.db2.gz MQBRGWIAFVDVMD-CQSZACIVSA-N 0 0 322.390 0.785 10 0 DCAERN O=c1n(CN2CCO[C@@H](c3nccs3)C2)nc2cnccn21 ZINC000132979877 669761714 /nfs/dbraw/zinc/76/17/14/669761714.db2.gz AUDOELSJBKZUKG-SNVBAGLBSA-N 0 0 318.362 0.379 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000158860764 669929942 /nfs/dbraw/zinc/92/99/42/669929942.db2.gz QBLSAZXEDPNHES-WXHSDQCUSA-N 0 0 310.350 0.455 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC3(C)OCCCO3)cnc12 ZINC000191112906 669978583 /nfs/dbraw/zinc/97/85/83/669978583.db2.gz RHZGTNLIKIQFQA-UHFFFAOYSA-N 0 0 317.345 0.886 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)c1cn2ccnc2s1 ZINC000188722145 670040619 /nfs/dbraw/zinc/04/06/19/670040619.db2.gz YEVTUQDULUEGLA-UHFFFAOYSA-N 0 0 301.393 0.903 10 0 DCAERN COCCCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000078755910 670113165 /nfs/dbraw/zinc/11/31/65/670113165.db2.gz LYWDACIDTAESDR-TZMCWYRMSA-N 0 0 309.366 0.909 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NNc1nc2ccccn2n1 ZINC000191882168 670113175 /nfs/dbraw/zinc/11/31/75/670113175.db2.gz UFHIDVAWJZHZFU-SECBINFHSA-N 0 0 314.305 0.584 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@H]1CCCCO1 ZINC000078763500 670113596 /nfs/dbraw/zinc/11/35/96/670113596.db2.gz ULMIPCFZZIQSQY-LLVKDONJSA-N 0 0 318.329 0.802 10 0 DCAERN CCOC(=O)C1(CNC(=O)c2cc(C(N)=O)cn2C)CCCC1 ZINC000192264634 670146540 /nfs/dbraw/zinc/14/65/40/670146540.db2.gz UZXBJKAEFXSFLX-UHFFFAOYSA-N 0 0 321.377 0.977 10 0 DCAERN O=C(C[C@@H]1CCCOC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000192466361 670171813 /nfs/dbraw/zinc/17/18/13/670171813.db2.gz RILOBUFYDJIUBZ-GJZGRUSLSA-N 0 0 324.421 0.901 10 0 DCAERN CCn1cc(Cl)cc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713969628 670172826 /nfs/dbraw/zinc/17/28/26/670172826.db2.gz XFFILPPLIGDYQF-UHFFFAOYSA-N 0 0 305.787 0.712 10 0 DCAERN COc1ccc(C(=O)NCC2(S(N)(=O)=O)CC2)cc1F ZINC000713980803 670173462 /nfs/dbraw/zinc/17/34/62/670173462.db2.gz SAMLNIPQEBZLDF-UHFFFAOYSA-N 0 0 302.327 0.385 10 0 DCAERN C[C@H]1CO[C@H](CO)CN1Cc1cn(C)nc1Br ZINC000714076987 670175217 /nfs/dbraw/zinc/17/52/17/670175217.db2.gz XWOXPWYEBLDUMP-WPRPVWTQSA-N 0 0 304.188 0.764 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(Cc2cn(C)nc2Br)C1 ZINC000714076560 670175341 /nfs/dbraw/zinc/17/53/41/670175341.db2.gz NBNPGVWNOVQJRA-VHSXEESVSA-N 0 0 304.188 0.764 10 0 DCAERN CSc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000714258593 670182542 /nfs/dbraw/zinc/18/25/42/670182542.db2.gz PGGVIQSUNJNDNS-UHFFFAOYSA-N 0 0 315.420 0.288 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000714260892 670182789 /nfs/dbraw/zinc/18/27/89/670182789.db2.gz YDCUPZSLEJUSOQ-UHFFFAOYSA-N 0 0 315.420 0.117 10 0 DCAERN Cn1nnc(C(=O)NCc2ncc(Br)s2)n1 ZINC000714630754 670189892 /nfs/dbraw/zinc/18/98/92/670189892.db2.gz CXDRGUBKWXPPRX-UHFFFAOYSA-N 0 0 303.145 0.359 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)CCCC1CC1 ZINC000714974530 670199784 /nfs/dbraw/zinc/19/97/84/670199784.db2.gz KKPWVLIZWRIHQO-LBPRGKRZSA-N 0 0 324.468 0.649 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000715024683 670201927 /nfs/dbraw/zinc/20/19/27/670201927.db2.gz ZKVQJIGGZGJHRD-UHFFFAOYSA-N 0 0 304.412 0.599 10 0 DCAERN Cn1cc(CNC2CC(S(C)(=O)=O)C2)c(Br)n1 ZINC000715268507 670207083 /nfs/dbraw/zinc/20/70/83/670207083.db2.gz VVTYLTHDIDPJNQ-UHFFFAOYSA-N 0 0 322.228 0.848 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000193299131 670263365 /nfs/dbraw/zinc/26/33/65/670263365.db2.gz WMJZLCSGNCQZQK-LRDDRELGSA-N 0 0 324.425 0.901 10 0 DCAERN CC[C@H](C[C@@H](C)O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000716854663 670273456 /nfs/dbraw/zinc/27/34/56/670273456.db2.gz GMLKQLZDOGUATK-UTUOFQBUSA-N 0 0 306.428 0.466 10 0 DCAERN O=C([O-])[C@H]1C[NH2+]C[C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000757193292 670358956 /nfs/dbraw/zinc/35/89/56/670358956.db2.gz YMTODXJHONIVQB-KBPBESRZSA-N 0 0 324.402 0.859 10 0 DCAERN CC(=O)NCC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000194501680 670435278 /nfs/dbraw/zinc/43/52/78/670435278.db2.gz MPWPNXPVXRFHTO-CQSZACIVSA-N 0 0 304.346 0.860 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC(c3ccnn3C)CC2)CCO1 ZINC000195502111 670495671 /nfs/dbraw/zinc/49/56/71/670495671.db2.gz RWLJKMHXJHWWKY-CYBMUJFWSA-N 0 0 306.410 0.847 10 0 DCAERN Cc1cnn(C[C@@H]2CN(Cn3ncn(C)c3=S)CCO2)c1 ZINC000112071818 670539151 /nfs/dbraw/zinc/53/91/51/670539151.db2.gz QCHQAEKNLZBNMD-LBPRGKRZSA-N 0 0 308.411 0.815 10 0 DCAERN Cn1cc(-c2ncc(C(=O)OC[C@@H]3CCC(=O)N3)s2)cn1 ZINC000112210242 670563205 /nfs/dbraw/zinc/56/32/05/670563205.db2.gz VPZQLUKCHDRSGT-VIFPVBQESA-N 0 0 306.347 0.979 10 0 DCAERN COc1ccnc(N2CCN(CN3C[C@H](C)CC3=O)CC2)n1 ZINC000113241978 670697690 /nfs/dbraw/zinc/69/76/90/670697690.db2.gz POSUDYSSFQNDRU-GFCCVEGCSA-N 0 0 305.382 0.433 10 0 DCAERN COc1ccnc(N2CCN(CN3C[C@@H](C)CC3=O)CC2)n1 ZINC000113241980 670697863 /nfs/dbraw/zinc/69/78/63/670697863.db2.gz POSUDYSSFQNDRU-LBPRGKRZSA-N 0 0 305.382 0.433 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2cc(Br)cn2)C1 ZINC000116869299 671131784 /nfs/dbraw/zinc/13/17/84/671131784.db2.gz AKGSDMUGWCLWHI-VIFPVBQESA-N 0 0 323.216 0.227 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 ZINC000829020539 671566045 /nfs/dbraw/zinc/56/60/45/671566045.db2.gz SBZGTRKZUNREPW-HICWGWBUSA-N 0 0 304.346 0.758 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCn1ccccc1=O ZINC000121392130 671631439 /nfs/dbraw/zinc/63/14/39/671631439.db2.gz WBDXZQOTKDDGSP-LLVKDONJSA-N 0 0 304.302 0.803 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(CN2CC(=O)N(C(C)C)C2=O)C1 ZINC000102393026 671821729 /nfs/dbraw/zinc/82/17/29/671821729.db2.gz GHBKSMKJGLKFHK-ZDUSSCGKSA-N 0 0 324.425 0.997 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000121443175 671826359 /nfs/dbraw/zinc/82/63/59/671826359.db2.gz CEUBGYWCRNVPIF-AWEZNQCLSA-N 0 0 301.346 0.774 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105816854 672235669 /nfs/dbraw/zinc/23/56/69/672235669.db2.gz NNYHYDMMJKMYJI-CJNGLKHVSA-N 0 0 319.405 0.389 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)N[C@@H]1CNC(=O)C1 ZINC000385490109 1158223258 /nfs/dbraw/zinc/22/32/58/1158223258.db2.gz QDTUPCAXMPDFLZ-YFKPBYRVSA-N 0 0 316.130 0.789 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000388935533 685256039 /nfs/dbraw/zinc/25/60/39/685256039.db2.gz MKBVBANHSRGCSM-UWVGGRQHSA-N 0 0 307.437 0.279 10 0 DCAERN COCC[C@H](COC)NS(=O)(=O)c1cc(N)ccc1C ZINC000394330344 685266390 /nfs/dbraw/zinc/26/63/90/685266390.db2.gz NSEASTNKUADKPN-GFCCVEGCSA-N 0 0 302.396 0.907 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000399158726 685275117 /nfs/dbraw/zinc/27/51/17/685275117.db2.gz CFZOJJQHUPAGFL-VWYCJHECSA-N 0 0 307.437 0.279 10 0 DCAERN O=S(=O)(c1ccc(N2CCOC[C@H](O)C2)cc1)C(F)F ZINC000399844705 685275652 /nfs/dbraw/zinc/27/56/52/685275652.db2.gz HVIWCQOXHDDBLN-SNVBAGLBSA-N 0 0 307.318 0.880 10 0 DCAERN COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1Cl ZINC000718907770 685305896 /nfs/dbraw/zinc/30/58/96/685305896.db2.gz SDFRXJKZSULQNP-GHMZBOCLSA-N 0 0 305.783 0.596 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NCc1cn(C)nc1Br ZINC000720076686 685311967 /nfs/dbraw/zinc/31/19/67/685311967.db2.gz ZXMBLGNEIWTQRN-ZCFIWIBFSA-N 0 0 303.160 0.323 10 0 DCAERN C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720482232 685313181 /nfs/dbraw/zinc/31/31/81/685313181.db2.gz KAOVKXMMABNUDW-OUAUKWLOSA-N 0 0 301.412 0.681 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccnc1Cl)c1cn(C)nn1 ZINC000720549227 685314495 /nfs/dbraw/zinc/31/44/95/685314495.db2.gz XRDXWMBEKRITLT-ZETCQYMHSA-N 0 0 301.759 0.903 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2COCCO2)c(Br)n1 ZINC000720666897 685314577 /nfs/dbraw/zinc/31/45/77/685314577.db2.gz GLADPYHBCHXZLQ-QMMMGPOBSA-N 0 0 304.144 0.214 10 0 DCAERN CCOCCCNC(=S)NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000720914806 685317173 /nfs/dbraw/zinc/31/71/73/685317173.db2.gz NGUYGRGBUMTCAC-GFCCVEGCSA-N 0 0 324.468 0.081 10 0 DCAERN O=C(NCC[C@H]1CNCCS1(=O)=O)NC1CCCCC1 ZINC000721762640 685318813 /nfs/dbraw/zinc/31/88/13/685318813.db2.gz QXULTHGNIFAHMX-LBPRGKRZSA-N 0 0 303.428 0.395 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)NCC2(CO)COC2)c1C ZINC000722517883 685319685 /nfs/dbraw/zinc/31/96/85/685319685.db2.gz DKHIOCOVHGBSIP-UHFFFAOYSA-N 0 0 305.421 0.961 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000068187783 685070987 /nfs/dbraw/zinc/07/09/87/685070987.db2.gz IZEYCXJZIKQTRJ-AWEZNQCLSA-N 0 0 323.437 0.960 10 0 DCAERN Cc1cc(C)n(Cc2ccc(C(=O)NOCC(N)=O)cc2)n1 ZINC000089464649 685100224 /nfs/dbraw/zinc/10/02/24/685100224.db2.gz DFVOCXKYMWZIIW-UHFFFAOYSA-N 0 0 302.334 0.695 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cnc(Cl)c(C)c2)C1 ZINC000091414340 685104388 /nfs/dbraw/zinc/10/43/88/685104388.db2.gz DZZCZZMVXYBJJR-UHFFFAOYSA-N 0 0 324.768 0.576 10 0 DCAERN CC(=O)N1CCCN(C(=O)COc2cccc(C(N)=O)c2)CC1 ZINC000146259922 685130277 /nfs/dbraw/zinc/13/02/77/685130277.db2.gz QTYUCXVEWNDADS-UHFFFAOYSA-N 0 0 319.361 0.245 10 0 DCAERN Cc1cc(C(=O)NCCCN2CCOCC2)c2cnn(C)c2n1 ZINC000175103861 685144664 /nfs/dbraw/zinc/14/46/64/685144664.db2.gz MNIAYVJENUHHPT-UHFFFAOYSA-N 0 0 317.393 0.729 10 0 DCAERN Cn1cc(/C=C/C(=O)OCC[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000177903588 685150300 /nfs/dbraw/zinc/15/03/00/685150300.db2.gz YSPVEDMBRNYEOY-BTDICHCPSA-N 0 0 308.334 0.210 10 0 DCAERN COC[C@H](C)OC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000246618894 685165379 /nfs/dbraw/zinc/16/53/79/685165379.db2.gz SMYQGCVPARQLME-JKOKRWQUSA-N 0 0 309.366 0.908 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000246861050 685167573 /nfs/dbraw/zinc/16/75/73/685167573.db2.gz ARYAIMGMWIAKPD-NNUHMIRASA-N 0 0 317.455 0.877 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000247159844 685170411 /nfs/dbraw/zinc/17/04/11/685170411.db2.gz QNBSDCMRYVAVCC-ZWNOBZJWSA-N 0 0 320.361 0.622 10 0 DCAERN CC[C@H](c1ccccc1)S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000248373172 685174126 /nfs/dbraw/zinc/17/41/26/685174126.db2.gz GZZVFHXNEVBSNN-JHJVBQTASA-N 0 0 318.416 0.710 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)cn1 ZINC000248801435 685176548 /nfs/dbraw/zinc/17/65/48/685176548.db2.gz QFTQAETUAZITLS-DZGCQCFKSA-N 0 0 322.409 0.524 10 0 DCAERN C[C@@H]1CN(CN2C[C@@H](CC(C)(C)C)CC2=O)C[C@H](C(N)=O)O1 ZINC000249265941 685178275 /nfs/dbraw/zinc/17/82/75/685178275.db2.gz ILIQSIPNDYNVIT-JHJVBQTASA-N 0 0 311.426 0.803 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000249704178 685183648 /nfs/dbraw/zinc/18/36/48/685183648.db2.gz LFBKCMASPAGANF-DOMZBBRYSA-N 0 0 308.382 0.265 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000249705911 685183825 /nfs/dbraw/zinc/18/38/25/685183825.db2.gz NJWBMCVTVIOYMQ-RDBSUJKOSA-N 0 0 305.378 0.496 10 0 DCAERN CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000251933580 685185627 /nfs/dbraw/zinc/18/56/27/685185627.db2.gz ZNJDRIBOBWTDRW-AGIUHOORSA-N 0 0 302.440 0.848 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCN(C)C1=O)[C@@H]2C ZINC000364747425 685222504 /nfs/dbraw/zinc/22/25/04/685222504.db2.gz AURSZBZVVLWFPM-GHMZBOCLSA-N 0 0 320.397 0.718 10 0 DCAERN Cn1ncc(C(=O)N2CC(CO)C2)c1I ZINC000382318237 685240621 /nfs/dbraw/zinc/24/06/21/685240621.db2.gz YPVOWLYFKHEKHA-UHFFFAOYSA-N 0 0 321.118 0.089 10 0 DCAERN CON(C)C(=O)CNC(=O)c1ccncc1Br ZINC000397519115 1158101183 /nfs/dbraw/zinc/10/11/83/1158101183.db2.gz BZVFKHYAUDMBRH-UHFFFAOYSA-N 0 0 302.128 0.594 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)N(C)CCCCO)o1 ZINC000385083266 1158220631 /nfs/dbraw/zinc/22/06/31/1158220631.db2.gz HBOACGKFLRGDAL-UHFFFAOYSA-N 0 0 304.368 0.374 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1S(N)(=O)=O ZINC000385166193 1158221020 /nfs/dbraw/zinc/22/10/20/1158221020.db2.gz OGRCLQHVFTYJDR-ZXFLCMHBSA-N 0 0 302.352 0.531 10 0 DCAERN COC(CNC(=O)Cc1ccccc1S(C)(=O)=O)OC ZINC000041511207 1158290200 /nfs/dbraw/zinc/29/02/00/1158290200.db2.gz YYMOIPTXHVYCLP-UHFFFAOYSA-N 0 0 301.364 0.368 10 0 DCAERN CC(=O)CC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCC1 ZINC000346883856 1158864288 /nfs/dbraw/zinc/86/42/88/1158864288.db2.gz XCHQRZGCDSGNBK-LLVKDONJSA-N 0 0 316.423 0.628 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000227357863 1159025122 /nfs/dbraw/zinc/02/51/22/1159025122.db2.gz AQDKHTNDMCFXBO-VIFPVBQESA-N 0 0 317.139 0.295 10 0 DCAERN O=C(c1ccnc(Br)c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388122641 1159129812 /nfs/dbraw/zinc/12/98/12/1159129812.db2.gz MHRZRGVELHWIKG-OCAPTIKFSA-N 0 0 324.134 0.189 10 0 DCAERN CCC(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000052362523 1171776960 /nfs/dbraw/zinc/77/69/60/1171776960.db2.gz RTBPYDNAZHJJAC-UHFFFAOYSA-N 0 0 321.352 0.636 10 0 DCAERN CCNC(=O)CNC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067482221 1173774915 /nfs/dbraw/zinc/77/49/15/1173774915.db2.gz AFTDOANPPDNXBX-UHFFFAOYSA-N 0 0 306.366 0.806 10 0 DCAERN O=C(NCCNc1ncccc1C(F)(F)F)[C@H]1CCC(=O)N1 ZINC000068178515 1173783951 /nfs/dbraw/zinc/78/39/51/1173783951.db2.gz LQNJKOWWWXXAFN-SECBINFHSA-N 0 0 316.283 0.907 10 0 DCAERN Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000122969254 1177041777 /nfs/dbraw/zinc/04/17/77/1177041777.db2.gz TVCMOBNLGDPGTR-AAEUAGOBSA-N 0 0 321.333 0.663 10 0 DCAERN Nc1ccc(Br)cc1C(=O)N1CCNC(=O)CC1 ZINC000123983163 1177089323 /nfs/dbraw/zinc/08/93/23/1177089323.db2.gz QFDCGDUNAWKQCZ-UHFFFAOYSA-N 0 0 312.167 0.993 10 0 DCAERN Cc1oc(C(=O)NCC[C@@H](C)[S@@](C)=O)cc1S(N)(=O)=O ZINC000132857680 1177526127 /nfs/dbraw/zinc/52/61/27/1177526127.db2.gz CVYKLXMHKIKZRS-XJZHNMMOSA-N 0 0 322.408 0.122 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C)c2)C1 ZINC000157319810 1180560950 /nfs/dbraw/zinc/56/09/50/1180560950.db2.gz BAULZMNZFPKRQY-CQSZACIVSA-N 0 0 303.362 0.462 10 0 DCAERN Cc1noc([C@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2)C(C)C)n1 ZINC000159730573 1180567450 /nfs/dbraw/zinc/56/74/50/1180567450.db2.gz FVQFXIXLZRENIL-ZYHUDNBSSA-N 0 0 309.370 0.995 10 0 DCAERN CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)ccc21 ZINC000248988263 1183448953 /nfs/dbraw/zinc/44/89/53/1183448953.db2.gz XKRUDDHPUIDKKH-LSDHHAIUSA-N 0 0 317.389 0.718 10 0 DCAERN Cc1noc([C@H](NC(=O)Cc2nc3ncccn3n2)C(C)C)n1 ZINC000171813756 1183777966 /nfs/dbraw/zinc/77/79/66/1183777966.db2.gz ROFCTEOIZRNOSB-GFCCVEGCSA-N 0 0 315.337 0.872 10 0 DCAERN CN[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1cnn(C)c1 ZINC000262018021 1185161090 /nfs/dbraw/zinc/16/10/90/1185161090.db2.gz COZXUMUQXMEZGP-SWLSCSKDSA-N 0 0 316.361 0.637 10 0 DCAERN CN[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1cnn(C)c1 ZINC000262018019 1185161130 /nfs/dbraw/zinc/16/11/30/1185161130.db2.gz COZXUMUQXMEZGP-IUODEOHRSA-N 0 0 316.361 0.637 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN[C@@H](c1nc(C)no1)C(C)C ZINC000179865557 1185168790 /nfs/dbraw/zinc/16/87/90/1185168790.db2.gz GRWGTHUMRMNTGU-CYBMUJFWSA-N 0 0 312.370 0.686 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)NCCNC(=O)c1ccccc1O ZINC000187007314 1187432975 /nfs/dbraw/zinc/43/29/75/1187432975.db2.gz SKFXUKLILZLKOT-UHFFFAOYSA-N 0 0 316.361 0.821 10 0 DCAERN O=C(CCCNC(=O)Cn1nnc2ccccc21)NC1CC1 ZINC000192574460 1187961935 /nfs/dbraw/zinc/96/19/35/1187961935.db2.gz QIWVIUILIRTATO-UHFFFAOYSA-N 0 0 301.350 0.606 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCOC[C@]12CCOC2 ZINC000194380317 1188153284 /nfs/dbraw/zinc/15/32/84/1188153284.db2.gz AKETVUKLNLTVSX-OAHLLOKOSA-N 0 0 302.334 0.449 10 0 DCAERN CCOC1(CNS(=O)(=O)c2cnc(N)nc2)CCCC1 ZINC000312587346 1190393498 /nfs/dbraw/zinc/39/34/98/1190393498.db2.gz WQHSQXXTKUBBBF-UHFFFAOYSA-N 0 0 300.384 0.686 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cccc3c2oc(=O)n3C)CC1 ZINC000179134970 758095188 /nfs/dbraw/zinc/09/51/88/758095188.db2.gz OSGCJUOSQYTIPS-UHFFFAOYSA-N 0 0 317.345 0.826 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189958178 760291251 /nfs/dbraw/zinc/29/12/51/760291251.db2.gz TWOJNYFEJASAHZ-UHFFFAOYSA-N 0 0 305.382 0.414 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CCC(OCCO)CC1 ZINC000401825209 768646382 /nfs/dbraw/zinc/64/63/82/768646382.db2.gz LNTDPRJWHPOJPY-UHFFFAOYSA-N 0 0 304.343 0.383 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403692755 774111926 /nfs/dbraw/zinc/11/19/26/774111926.db2.gz DTPWGQPEWYQPIY-FGWVZKOKSA-N 0 0 322.452 0.742 10 0 DCAERN CC[C@@H](CCO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307901664 774140604 /nfs/dbraw/zinc/14/06/04/774140604.db2.gz HBWJTVCPSBLCIL-VIFPVBQESA-N 0 0 300.380 0.563 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000717296136 951413062 /nfs/dbraw/zinc/41/30/62/951413062.db2.gz ULUAVOYNUUKWDT-LHLIQPBNSA-N 0 0 303.156 0.503 10 0 DCAERN C[C@]1(C(=O)[O-])CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000690819726 976337796 /nfs/dbraw/zinc/33/77/96/976337796.db2.gz WPTQGYVHCWPRCT-YPMHNXCESA-N 0 0 304.412 0.455 10 0 DCAERN CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210129 976682639 /nfs/dbraw/zinc/68/26/39/976682639.db2.gz SCPDNOGJLBIEPB-VIFPVBQESA-N 0 0 304.368 0.985 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@H]21 ZINC000286553027 219049781 /nfs/dbraw/zinc/04/97/81/219049781.db2.gz XJSYGFHYTDBLOO-ZIAGYGMSSA-N 0 0 313.361 0.570 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3nnc4ccccc4n3)C[C@@H]21 ZINC000286553017 219050167 /nfs/dbraw/zinc/05/01/67/219050167.db2.gz XJSYGFHYTDBLOO-UONOGXRCSA-N 0 0 313.361 0.570 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000179397125 529385515 /nfs/dbraw/zinc/38/55/15/529385515.db2.gz KCOSEJRAWPTERC-HUUCEWRRSA-N 0 0 311.426 0.160 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000082976446 185210144 /nfs/dbraw/zinc/21/01/44/185210144.db2.gz RDBRZHGRMOOHAJ-QWRGUYRKSA-N 0 0 308.386 0.765 10 0 DCAERN CCc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)oc1CC ZINC000152488665 529513880 /nfs/dbraw/zinc/51/38/80/529513880.db2.gz UPVCNDHEMZLCDV-NSHDSACASA-N 0 0 322.361 0.908 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)C(N)=O ZINC000088501203 185254483 /nfs/dbraw/zinc/25/44/83/185254483.db2.gz ZWHGLBLSEUMZLL-VIFPVBQESA-N 0 0 308.386 0.486 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000182407617 529701205 /nfs/dbraw/zinc/70/12/05/529701205.db2.gz DUULNWOFCZMFBH-KBPBESRZSA-N 0 0 320.455 0.274 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(=O)NC1CC1)CC2 ZINC000181410671 199293030 /nfs/dbraw/zinc/29/30/30/199293030.db2.gz YEJUNPROWJBPIB-NSHDSACASA-N 0 0 320.397 0.294 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N[C@]3(CO)CCOC3)CC2=O)cc1 ZINC000182936643 199512856 /nfs/dbraw/zinc/51/28/56/199512856.db2.gz KDNUWJCBARNZND-GUYCJALGSA-N 0 0 318.373 0.616 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000184602175 529844641 /nfs/dbraw/zinc/84/46/41/529844641.db2.gz HBXDZCDPIUPOKG-LBPRGKRZSA-N 0 0 305.378 0.774 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000186916704 529844865 /nfs/dbraw/zinc/84/48/65/529844865.db2.gz VZBAQSMLOKJHBS-LLVKDONJSA-N 0 0 309.753 0.698 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)C(C)C ZINC000179078461 529918887 /nfs/dbraw/zinc/91/88/87/529918887.db2.gz ICMSKMOKGQGVNO-LLVKDONJSA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](C)C(=O)NCc1ccco1)C(C)C ZINC000178425581 529919998 /nfs/dbraw/zinc/91/99/98/529919998.db2.gz OQEJQJGFSHBDOG-ZYHUDNBSSA-N 0 0 324.381 0.354 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1CCCc2c(O)cccc21 ZINC000190773961 295714905 /nfs/dbraw/zinc/71/49/05/295714905.db2.gz AUDXZOKGPXAJKO-NWDGAFQWSA-N 0 0 302.330 0.734 10 0 DCAERN CCC1(CC)CN(C(=O)CNS(=O)(=O)NC)CCS1 ZINC000408459902 282358912 /nfs/dbraw/zinc/35/89/12/282358912.db2.gz ZUBIWSQIKSWEEG-UHFFFAOYSA-N 0 0 309.457 0.174 10 0 DCAERN CCC1(CC)CN(CC2(O)CCOCC2)CCS1(=O)=O ZINC000408364819 282370519 /nfs/dbraw/zinc/37/05/19/282370519.db2.gz FMPWMLOOJNLPMI-UHFFFAOYSA-N 0 0 305.440 0.817 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000188912119 290751694 /nfs/dbraw/zinc/75/16/94/290751694.db2.gz MMRFENXOLQBTNQ-LLVKDONJSA-N 0 0 312.391 0.608 10 0 DCAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c1 ZINC000111361097 185587739 /nfs/dbraw/zinc/58/77/39/185587739.db2.gz LPFHEBOVQNUJHC-LBPRGKRZSA-N 0 0 309.395 0.951 10 0 DCAERN O=C(c1cnc(OCC2CC2)cn1)N1CC(=O)N(C2CC2)C1 ZINC000286883313 219209019 /nfs/dbraw/zinc/20/90/19/219209019.db2.gz AKCSTZJTVOTWOD-UHFFFAOYSA-N 0 0 302.334 0.670 10 0 DCAERN C[C@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CC[S@]1=O ZINC000408211097 290829174 /nfs/dbraw/zinc/82/91/74/290829174.db2.gz MSALJGGJNOWSHG-SAHAZLINSA-N 0 0 321.402 0.425 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@@]12CCOC2 ZINC000333121809 304772137 /nfs/dbraw/zinc/77/21/37/304772137.db2.gz GQPMDFMHMWQFMD-RFGFWPKPSA-N 0 0 301.408 0.996 10 0 DCAERN Cc1ccc(NS(=O)(=O)N2CCS(=O)(=O)CC2)c(F)c1 ZINC000069975678 190846179 /nfs/dbraw/zinc/84/61/79/190846179.db2.gz JKYPFYBUQWCFGN-UHFFFAOYSA-N 0 0 322.383 0.521 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cn(C)c(=O)cc1C ZINC000080379334 192152642 /nfs/dbraw/zinc/15/26/42/192152642.db2.gz ONDGZEZOUBAZJF-NSHDSACASA-N 0 0 309.391 0.944 10 0 DCAERN CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000071497753 190985627 /nfs/dbraw/zinc/98/56/27/190985627.db2.gz HJUIXWGWROYXCT-LLVKDONJSA-N 0 0 304.302 0.350 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)CN3CSCC3=O)C2)no1 ZINC000171245053 197904448 /nfs/dbraw/zinc/90/44/48/197904448.db2.gz LFQVZUDIQAOLPI-LLVKDONJSA-N 0 0 324.406 0.692 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000171488291 186167683 /nfs/dbraw/zinc/16/76/83/186167683.db2.gz WQKATRYTKVZIFO-UONOGXRCSA-N 0 0 301.346 0.917 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000171488285 186167938 /nfs/dbraw/zinc/16/79/38/186167938.db2.gz WQKATRYTKVZIFO-KBPBESRZSA-N 0 0 301.346 0.917 10 0 DCAERN Cn1cc(CCCNC(=O)NCCCN2CCCC2=O)cn1 ZINC000171263097 197907882 /nfs/dbraw/zinc/90/78/82/197907882.db2.gz AGMAKTFCMJFECO-UHFFFAOYSA-N 0 0 307.398 0.664 10 0 DCAERN Cc1nc(CNC(=O)NC[C@@H](O)COc2cccc(C)c2)no1 ZINC000175692294 186188715 /nfs/dbraw/zinc/18/87/15/186188715.db2.gz NNEJBGULDGHQCZ-GFCCVEGCSA-N 0 0 320.349 0.926 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)no1 ZINC000175695101 186188822 /nfs/dbraw/zinc/18/88/22/186188822.db2.gz SNDDWXGRQBOIET-NSHDSACASA-N 0 0 317.353 0.636 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCN(c2cccnn2)CC1 ZINC000171351304 197921608 /nfs/dbraw/zinc/92/16/08/197921608.db2.gz CWJPURITBZVEPQ-SNVBAGLBSA-N 0 0 317.315 0.666 10 0 DCAERN CC1(C)CCC(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000175645432 186184269 /nfs/dbraw/zinc/18/42/69/186184269.db2.gz UHYFAQCECFHQEX-UHFFFAOYSA-N 0 0 314.411 0.616 10 0 DCAERN Cc1cc(C)cc(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000179732878 186211246 /nfs/dbraw/zinc/21/12/46/186211246.db2.gz OCQVJNNPYQFMPZ-UKRRQHHQSA-N 0 0 308.378 0.229 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1Cl ZINC000179686411 186205331 /nfs/dbraw/zinc/20/53/31/186205331.db2.gz BKNKQZOHMVVEQV-NSHDSACASA-N 0 0 318.782 0.523 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccnc(Cl)c1 ZINC000181882454 186214973 /nfs/dbraw/zinc/21/49/73/186214973.db2.gz MLQWSDBHSGSUKK-NSHDSACASA-N 0 0 314.773 0.550 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCO[C@@]2(CCOC2)C1 ZINC000183833840 186222514 /nfs/dbraw/zinc/22/25/14/186222514.db2.gz RYAYIUCTKWWRSC-AWEZNQCLSA-N 0 0 310.375 0.496 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000264251071 186327338 /nfs/dbraw/zinc/32/73/38/186327338.db2.gz BMIQIYHJOYKMIO-OLZOCXBDSA-N 0 0 307.398 0.629 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c1 ZINC000172126653 198043417 /nfs/dbraw/zinc/04/34/17/198043417.db2.gz ACNXJROZILCBMU-NXEZZACHSA-N 0 0 318.299 0.765 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)C1CC1 ZINC000172507964 198106839 /nfs/dbraw/zinc/10/68/39/198106839.db2.gz SFGAJQPCMKLGHC-QMMMGPOBSA-N 0 0 318.312 0.655 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)CNC(=O)c1ccccn1 ZINC000172518071 198108830 /nfs/dbraw/zinc/10/88/30/198108830.db2.gz IRGMZPOLDVTECO-LLVKDONJSA-N 0 0 306.366 0.232 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4c[nH]ccc4=O)c3=O)n2n1 ZINC000072465785 191174451 /nfs/dbraw/zinc/17/44/51/191174451.db2.gz PLPJTXUMWDFTCQ-UHFFFAOYSA-N 0 0 324.300 0.263 10 0 DCAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000172880013 198162075 /nfs/dbraw/zinc/16/20/75/198162075.db2.gz KWXDOBATWXNEOO-QJPTWQEYSA-N 0 0 314.407 0.930 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)CCO1 ZINC000172884193 198163236 /nfs/dbraw/zinc/16/32/36/198163236.db2.gz HARPZXKKHUGYHC-SNVBAGLBSA-N 0 0 318.358 0.531 10 0 DCAERN O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000172940986 198169453 /nfs/dbraw/zinc/16/94/53/198169453.db2.gz UQNPGOCBEIMMJB-RYUDHWBXSA-N 0 0 302.330 0.520 10 0 DCAERN C[C@H]1c2cccn2CCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000072822018 191233482 /nfs/dbraw/zinc/23/34/82/191233482.db2.gz TUDNRFDHGVEKST-STQMWFEESA-N 0 0 304.394 0.589 10 0 DCAERN COc1ccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1F ZINC000173083434 198184188 /nfs/dbraw/zinc/18/41/88/198184188.db2.gz SCFDMRKXJNVWAI-UHFFFAOYSA-N 0 0 321.308 0.413 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCOC3)C2=O)n1 ZINC000173187424 198193250 /nfs/dbraw/zinc/19/32/50/198193250.db2.gz JOZWQCRPFJXRAC-VXGBXAGGSA-N 0 0 321.381 0.394 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]nc2C)ncn1 ZINC000173446177 198216011 /nfs/dbraw/zinc/21/60/11/198216011.db2.gz HCFZDLMMACNSQD-LLVKDONJSA-N 0 0 315.381 0.949 10 0 DCAERN O=C(c1cnc(-c2ccncc2)s1)N1CCN(CCO)CC1 ZINC000173390164 198209403 /nfs/dbraw/zinc/20/94/03/198209403.db2.gz SVJRJQZJJKFHLJ-UHFFFAOYSA-N 0 0 318.402 0.955 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)[nH]1 ZINC000331907050 234261043 /nfs/dbraw/zinc/26/10/43/234261043.db2.gz XZWIKKUDSPGYAF-LLVKDONJSA-N 0 0 316.365 0.799 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CCc3cnn(C)c3)CCO2)[nH]1 ZINC000173557368 198227082 /nfs/dbraw/zinc/22/70/82/198227082.db2.gz XIAJIUPUUXDVBH-LBPRGKRZSA-N 0 0 318.381 0.633 10 0 DCAERN COCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000080659426 192179400 /nfs/dbraw/zinc/17/94/00/192179400.db2.gz ZLNYTRAXAVUCPB-LBPRGKRZSA-N 0 0 323.397 0.560 10 0 DCAERN CN1CCO[C@H](C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000173845101 198259331 /nfs/dbraw/zinc/25/93/31/198259331.db2.gz PAEIRRQXBBGZII-ZDUSSCGKSA-N 0 0 301.350 0.214 10 0 DCAERN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000173841811 198259539 /nfs/dbraw/zinc/25/95/39/198259539.db2.gz HVVBXOZWVLAQFX-IUODEOHRSA-N 0 0 306.410 0.679 10 0 DCAERN CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000173882595 198263440 /nfs/dbraw/zinc/26/34/40/198263440.db2.gz SLCINQGXYIUVFZ-QWHCGFSZSA-N 0 0 316.357 0.862 10 0 DCAERN Cc1ccc(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c1 ZINC000174274312 198313686 /nfs/dbraw/zinc/31/36/86/198313686.db2.gz DOMIYIGDOLFRCZ-GFCCVEGCSA-N 0 0 304.346 0.994 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174533281 198348281 /nfs/dbraw/zinc/34/82/81/198348281.db2.gz VAAPDHLRANUPQX-GFCCVEGCSA-N 0 0 322.413 0.787 10 0 DCAERN O=C(NCc1ccc(Cl)cn1)C1=NN(CCO)C(=O)CC1 ZINC000182140283 199391909 /nfs/dbraw/zinc/39/19/09/199391909.db2.gz YHIQIMUTEHQCLH-UHFFFAOYSA-N 0 0 310.741 0.322 10 0 DCAERN COCCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1 ZINC000004890311 181168746 /nfs/dbraw/zinc/16/87/46/181168746.db2.gz CXIPFAIQRNFXJR-UHFFFAOYSA-N 0 0 300.384 0.541 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@](C)(O)c2ccsc2)CCC1=O ZINC000077582966 191741400 /nfs/dbraw/zinc/74/14/00/191741400.db2.gz HMHKGRCKXQYDAJ-BXUZGUMPSA-N 0 0 311.407 0.876 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000184060776 199667977 /nfs/dbraw/zinc/66/79/77/199667977.db2.gz AXJJVIIBMJQFLO-CYBMUJFWSA-N 0 0 320.389 0.793 10 0 DCAERN CC(C)[C@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(N)=O ZINC000184473270 199721253 /nfs/dbraw/zinc/72/12/53/199721253.db2.gz UKUFAPOCSVEMIK-RYUDHWBXSA-N 0 0 320.397 0.255 10 0 DCAERN CN1C[C@H](NC(=O)c2cc3c([nH]c2=O)CCCCC3)CCC1=O ZINC000133185166 283243043 /nfs/dbraw/zinc/24/30/43/283243043.db2.gz LYNMDELUMRUIGX-GFCCVEGCSA-N 0 0 317.389 0.994 10 0 DCAERN O=C(CN1CCOC[C@@H]1C[C@@H](O)c1ccco1)NCC1CC1 ZINC000178401904 198861766 /nfs/dbraw/zinc/86/17/66/198861766.db2.gz LUUCCHQLQLPJKR-UONOGXRCSA-N 0 0 308.378 0.930 10 0 DCAERN Cc1oc(C(=O)NCCCc2ccccn2)cc1S(N)(=O)=O ZINC000178826420 198937790 /nfs/dbraw/zinc/93/77/90/198937790.db2.gz WRSIGHNHNYOKCE-UHFFFAOYSA-N 0 0 323.374 0.993 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000179240056 199003028 /nfs/dbraw/zinc/00/30/28/199003028.db2.gz JSRMRCOVJFNXDV-LLVKDONJSA-N 0 0 314.363 0.535 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N(C)[C@H](C)CO)C2=O)n(C)n1 ZINC000179387110 199026594 /nfs/dbraw/zinc/02/65/94/199026594.db2.gz JVLYMLKIYKKRND-NEPJUHHUSA-N 0 0 323.397 0.246 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2c(C)nn(C)c2OC)CC1 ZINC000179398605 199028093 /nfs/dbraw/zinc/02/80/93/199028093.db2.gz JVJPWPKSDQJFJC-LBPRGKRZSA-N 0 0 310.398 0.266 10 0 DCAERN CN(CCc1ccc(Cl)cc1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000179318305 199015092 /nfs/dbraw/zinc/01/50/92/199015092.db2.gz UYKATTSFVBCLIL-NSHDSACASA-N 0 0 309.753 0.939 10 0 DCAERN COC[C@H](O)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000179476745 199042354 /nfs/dbraw/zinc/04/23/54/199042354.db2.gz CDFOWHJWJKEIHV-GFCCVEGCSA-N 0 0 300.330 0.515 10 0 DCAERN COCCCOCCN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000179786370 199080759 /nfs/dbraw/zinc/08/07/59/199080759.db2.gz NITCQMNWFYLSIN-CQSZACIVSA-N 0 0 324.425 0.927 10 0 DCAERN CCc1nc2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180212505 199131608 /nfs/dbraw/zinc/13/16/08/199131608.db2.gz REYNZIYPMMHDCN-ZDUSSCGKSA-N 0 0 316.361 0.311 10 0 DCAERN Cc1nc(C)n(-c2ccccc2NC(=O)N[C@H](C)C(N)=O)n1 ZINC000180238227 199135696 /nfs/dbraw/zinc/13/56/96/199135696.db2.gz YEHJLOYRDCXMMJ-MRVPVSSYSA-N 0 0 302.338 0.879 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)[nH]1 ZINC000180483920 199165176 /nfs/dbraw/zinc/16/51/76/199165176.db2.gz NASOELGWLFRLRJ-LBPRGKRZSA-N 0 0 316.365 0.988 10 0 DCAERN COCc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)o1 ZINC000180650281 199190351 /nfs/dbraw/zinc/19/03/51/199190351.db2.gz LADUSZUCDUHMML-GWCFXTLKSA-N 0 0 310.350 0.792 10 0 DCAERN COCc1ccc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)o1 ZINC000180650247 199190911 /nfs/dbraw/zinc/19/09/11/199190911.db2.gz LADUSZUCDUHMML-MFKMUULPSA-N 0 0 310.350 0.792 10 0 DCAERN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CCCc2n[nH]cc21 ZINC000180819247 199213475 /nfs/dbraw/zinc/21/34/75/199213475.db2.gz IVTAVSIFWDLNFY-NEPJUHHUSA-N 0 0 321.377 0.868 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000180865307 199220671 /nfs/dbraw/zinc/22/06/71/199220671.db2.gz LACZGXHIRPWARU-HNNXBMFYSA-N 0 0 303.406 0.802 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCC(=O)NCC2CC2)c1 ZINC000180889630 199224135 /nfs/dbraw/zinc/22/41/35/199224135.db2.gz WACMRTWKLDDIDF-UHFFFAOYSA-N 0 0 316.404 0.408 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000193954628 283380532 /nfs/dbraw/zinc/38/05/32/283380532.db2.gz MKDUFPZXPAZHQY-CHWSQXEVSA-N 0 0 309.410 0.810 10 0 DCAERN O=C(Nc1nc2ccccn2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000184341164 295975203 /nfs/dbraw/zinc/97/52/03/295975203.db2.gz KXEIIEUZCPAABG-LBPRGKRZSA-N 0 0 316.365 0.668 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000298829335 283395232 /nfs/dbraw/zinc/39/52/32/283395232.db2.gz HJXRVGLWEHQSGJ-MJVIPROJSA-N 0 0 304.346 0.952 10 0 DCAERN C[C@]1(O)CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000152804314 237009677 /nfs/dbraw/zinc/00/96/77/237009677.db2.gz RSVPFOIEIHMFHC-INIZCTEOSA-N 0 0 317.345 0.063 10 0 DCAERN Cc1cc(CN(C)S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)no1 ZINC000173017619 237151804 /nfs/dbraw/zinc/15/18/04/237151804.db2.gz NLNWKIFZKQDFBA-ONGXEEELSA-N 0 0 303.384 0.769 10 0 DCAERN COc1ccc2c(c1)N(C[C@H](O)CN1CCOCC1)C[C@@H](C)O2 ZINC000173940962 237164542 /nfs/dbraw/zinc/16/45/42/237164542.db2.gz PSOPQKILPBQFGS-ZIAGYGMSSA-N 0 0 322.405 0.976 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000175140105 237178415 /nfs/dbraw/zinc/17/84/15/237178415.db2.gz SGGHVVJIZDULNU-GHMZBOCLSA-N 0 0 314.411 0.345 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000178070692 237219658 /nfs/dbraw/zinc/21/96/58/237219658.db2.gz JANGKJSSUZDDHC-JQWIXIFHSA-N 0 0 304.412 0.484 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000177540672 237215850 /nfs/dbraw/zinc/21/58/50/237215850.db2.gz OHBOVRGQZMPDJY-GMTAPVOTSA-N 0 0 308.382 0.093 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)NCC1(CCO)CC1 ZINC000188041895 237364733 /nfs/dbraw/zinc/36/47/33/237364733.db2.gz HBDVEWXRTUHYQE-UHFFFAOYSA-N 0 0 316.357 0.952 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188754910 237380958 /nfs/dbraw/zinc/38/09/58/237380958.db2.gz ZPRFBZGMUUKLKA-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)[C@@H]1CO ZINC000190598644 237439330 /nfs/dbraw/zinc/43/93/30/237439330.db2.gz LWTOAWWLIVCJAM-IKWCTNDRSA-N 0 0 318.439 0.755 10 0 DCAERN C[C@@]1(C(=O)N2CCO[C@H](c3nccs3)C2)CCC(=O)NC1 ZINC000281096687 216076278 /nfs/dbraw/zinc/07/62/78/216076278.db2.gz ADUVXSNMBIFAFC-IINYFYTJSA-N 0 0 309.391 0.959 10 0 DCAERN O=C([O-])Cn1c(=O)c2ccccc2nc1N1CCC[NH2+]CC1 ZINC000040351807 304090627 /nfs/dbraw/zinc/09/06/27/304090627.db2.gz WBURHKBITOVVCZ-UHFFFAOYSA-N 0 0 302.334 0.281 10 0 DCAERN CCc1noc(C)c1NC(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000153597170 291207842 /nfs/dbraw/zinc/20/78/42/291207842.db2.gz QQOPLTARESSGTR-LLVKDONJSA-N 0 0 310.354 0.650 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCN1CCO ZINC000188722468 200294728 /nfs/dbraw/zinc/29/47/28/200294728.db2.gz YCRVAYIGRBKECL-GFCCVEGCSA-N 0 0 316.398 0.654 10 0 DCAERN CC[C@@H]1CN(CCNS(=O)(=O)CC)CCN1CC(F)F ZINC000153687412 291208282 /nfs/dbraw/zinc/20/82/82/291208282.db2.gz AFFOSWPNFCLMPQ-LLVKDONJSA-N 0 0 313.414 0.587 10 0 DCAERN COCCc1cc(NC(=O)[C@H](C)N2CCSCC2)n(C)n1 ZINC000153971966 291209742 /nfs/dbraw/zinc/20/97/42/291209742.db2.gz NTGJGQMTYBYVKV-NSHDSACASA-N 0 0 312.439 0.985 10 0 DCAERN Cc1nc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c(=O)[nH]c1C ZINC000154318572 291212435 /nfs/dbraw/zinc/21/24/35/291212435.db2.gz WLTPGCJQHQSSSG-WDEREUQCSA-N 0 0 304.350 0.270 10 0 DCAERN CN(C)C(=O)c1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000154338690 291213080 /nfs/dbraw/zinc/21/30/80/291213080.db2.gz PXARYRUSYABQCK-AWEZNQCLSA-N 0 0 308.378 0.460 10 0 DCAERN COC(=O)c1cc(F)ccc1Cn1nnc2c(cnn2C)c1=O ZINC000154462379 291213510 /nfs/dbraw/zinc/21/35/10/291213510.db2.gz KOUGBHIRHFEPTA-UHFFFAOYSA-N 0 0 317.280 0.499 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275326824 296008082 /nfs/dbraw/zinc/00/80/82/296008082.db2.gz QNSFYKXOFABSIV-NWDGAFQWSA-N 0 0 303.366 0.939 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2nncn2C2CC2)cn1 ZINC000154566765 291214707 /nfs/dbraw/zinc/21/47/07/291214707.db2.gz IRXKSBZSJXPHKM-UHFFFAOYSA-N 0 0 302.342 0.791 10 0 DCAERN Cc1cccc(CNC(=O)c2ccnc3c(C(N)=O)cnn32)n1 ZINC000154666090 291214972 /nfs/dbraw/zinc/21/49/72/291214972.db2.gz LVMUWUBXQLDSAS-UHFFFAOYSA-N 0 0 310.317 0.462 10 0 DCAERN CCN1C(=O)[C@H](CC(N)=O)N(NC(=O)c2ccccc2)C1=S ZINC000005952484 181300259 /nfs/dbraw/zinc/30/02/59/181300259.db2.gz SOKQYYXEGCOVTC-JTQLQIEISA-N 0 0 320.374 0.024 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000158853305 291233055 /nfs/dbraw/zinc/23/30/55/291233055.db2.gz KUFCYKRYDUDLQD-CYBMUJFWSA-N 0 0 315.391 0.697 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000163627248 291247112 /nfs/dbraw/zinc/24/71/12/291247112.db2.gz PXGJNMWVLKBVSJ-QWRGUYRKSA-N 0 0 321.381 0.344 10 0 DCAERN Cc1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)n(C)n1 ZINC000276252290 238317199 /nfs/dbraw/zinc/31/71/99/238317199.db2.gz FVQXTYQMNSUHHV-AWEZNQCLSA-N 0 0 306.410 0.911 10 0 DCAERN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)s1 ZINC000276549336 238325742 /nfs/dbraw/zinc/32/57/42/238325742.db2.gz RYWRQSFEWUYNGP-NSHDSACASA-N 0 0 311.407 0.315 10 0 DCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N1CCCC[C@H]1C ZINC000408334425 291267839 /nfs/dbraw/zinc/26/78/39/291267839.db2.gz AALMKRNUTYGAER-NXEZZACHSA-N 0 0 308.400 0.008 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CC(C)(C(N)=O)C2)c1 ZINC000566172798 291277244 /nfs/dbraw/zinc/27/72/44/291277244.db2.gz GJEWKKBLPDHNLU-ZDUSSCGKSA-N 0 0 306.362 0.436 10 0 DCAERN NS(=O)(=O)[C@H]1Cc2ccccc2N(C[C@H](O)C(F)(F)F)C1 ZINC000408522525 239270768 /nfs/dbraw/zinc/27/07/68/239270768.db2.gz ATGFLKUELUTHAV-ONGXEEELSA-N 0 0 324.324 0.629 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccnc2c1nnn2C ZINC000566784602 291322441 /nfs/dbraw/zinc/32/24/41/291322441.db2.gz SKAJPPOACZHATA-NSHDSACASA-N 0 0 317.349 0.920 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408317801 291334664 /nfs/dbraw/zinc/33/46/64/291334664.db2.gz XTTDWTYGMDENPO-NDBYEHHHSA-N 0 0 319.423 0.751 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@](C)(O)C(F)(F)F ZINC000429871987 240379144 /nfs/dbraw/zinc/37/91/44/240379144.db2.gz WPWXWIPHOIHYFW-SSDOTTSWSA-N 0 0 321.708 0.665 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)ccc2o1 ZINC000091221271 193021781 /nfs/dbraw/zinc/02/17/81/193021781.db2.gz QKIRUKIYANLFTQ-SECBINFHSA-N 0 0 316.317 0.409 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2CCN1CCCC1=O ZINC000451662524 240677270 /nfs/dbraw/zinc/67/72/70/240677270.db2.gz KOCRBJUUJPLTOL-UHFFFAOYSA-N 0 0 317.389 0.926 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC[C@@H](C)OC)CC12COC2 ZINC000454464777 240785520 /nfs/dbraw/zinc/78/55/20/240785520.db2.gz FZFGUOYTBRKAFE-NEPJUHHUSA-N 0 0 314.382 0.633 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)OC)CC12COC2 ZINC000454967763 240819859 /nfs/dbraw/zinc/81/98/59/240819859.db2.gz KLVRFMZOAIHNTQ-WOPDTQHZSA-N 0 0 314.382 0.631 10 0 DCAERN COc1ccc([C@H](C)CC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091782762 193106581 /nfs/dbraw/zinc/10/65/81/193106581.db2.gz GGDUUTXJSVPNCX-BXUZGUMPSA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCCOc1ccccc1F ZINC000091783002 193107140 /nfs/dbraw/zinc/10/71/40/193107140.db2.gz ZIWCIRNCNSGJPK-GFCCVEGCSA-N 0 0 310.325 0.697 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000091783209 193107950 /nfs/dbraw/zinc/10/79/50/193107950.db2.gz IQWBNEQUOHAFBA-SNVBAGLBSA-N 0 0 306.347 0.465 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000455573598 240853799 /nfs/dbraw/zinc/85/37/99/240853799.db2.gz HBPYKHBZGIVHJU-VDDIYKPWSA-N 0 0 323.315 0.739 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)NCCO)[C@H]1c1ccc(Cl)cc1 ZINC000091984961 193135890 /nfs/dbraw/zinc/13/58/90/193135890.db2.gz PNFPGFRCBRUDQY-WCQYABFASA-N 0 0 311.769 0.903 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000457744776 241032468 /nfs/dbraw/zinc/03/24/68/241032468.db2.gz NCWGMSYRKQRJKR-UPJWGTAASA-N 0 0 310.394 0.650 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)CCCOC ZINC000487409366 241081447 /nfs/dbraw/zinc/08/14/47/241081447.db2.gz NPBORIQXQIMAGW-QWRGUYRKSA-N 0 0 317.386 0.121 10 0 DCAERN Cn1cc(C(=O)NCCCN2CCOCC2)c([C@@H]2CCOC2)n1 ZINC000275307360 212261661 /nfs/dbraw/zinc/26/16/61/212261661.db2.gz NYNSBSSJIFEUCI-CYBMUJFWSA-N 0 0 322.409 0.376 10 0 DCAERN C[C@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCC[C@@H]1O ZINC000408392308 291384264 /nfs/dbraw/zinc/38/42/64/291384264.db2.gz BHDQRISFLDZFID-WCQYABFASA-N 0 0 304.412 0.368 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000407992412 291391261 /nfs/dbraw/zinc/39/12/61/291391261.db2.gz SGKGRUMEQCWXEP-YNEHKIRRSA-N 0 0 310.394 0.903 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)N1CCNC(=O)C1 ZINC000567991753 291395998 /nfs/dbraw/zinc/39/59/98/291395998.db2.gz NSPQVDJDODQVKU-LLVKDONJSA-N 0 0 305.334 0.358 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1c(C)nn(CCC(=O)OC)c1C ZINC000092098264 193157199 /nfs/dbraw/zinc/15/71/99/193157199.db2.gz YHAUJLWCQJTVMT-CQSZACIVSA-N 0 0 322.409 0.773 10 0 DCAERN CC(C)c1nnc([C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)o1 ZINC000275244951 212220371 /nfs/dbraw/zinc/22/03/71/212220371.db2.gz BUEWMXRHXISNSQ-WDEREUQCSA-N 0 0 322.365 0.571 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000568196614 291410896 /nfs/dbraw/zinc/41/08/96/291410896.db2.gz IARZICYAOHHPRZ-JTQLQIEISA-N 0 0 305.334 0.231 10 0 DCAERN O=C([C@H]1COCCN1C1CCCC1)N1CC(n2ccnn2)C1 ZINC000373593661 296138985 /nfs/dbraw/zinc/13/89/85/296138985.db2.gz MSEZTZKCWNMXON-CQSZACIVSA-N 0 0 305.382 0.305 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CSC[C@H](O)CO)c1 ZINC000093958711 193331903 /nfs/dbraw/zinc/33/19/03/193331903.db2.gz NEWJEKZXBNVGSB-LLVKDONJSA-N 0 0 305.421 0.523 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@@H]3CNC(=O)C3)cc21 ZINC000569902788 291501615 /nfs/dbraw/zinc/50/16/15/291501615.db2.gz SPNBXTRCKUWOLH-NSHDSACASA-N 0 0 300.318 0.549 10 0 DCAERN COCCOc1ccc(C(=O)NC(=S)NC[C@@H](C)O)cc1 ZINC000009270912 181611390 /nfs/dbraw/zinc/61/13/90/181611390.db2.gz HUYMMFODEQWZLT-SNVBAGLBSA-N 0 0 312.391 0.697 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282487495 217032573 /nfs/dbraw/zinc/03/25/73/217032573.db2.gz WBNHZSLAOOZQLL-SECBINFHSA-N 0 0 317.349 0.686 10 0 DCAERN C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CC(=O)N1C ZINC000282513826 217052964 /nfs/dbraw/zinc/05/29/64/217052964.db2.gz YHFGGXWDFRUGET-NSHDSACASA-N 0 0 301.346 0.332 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000282562139 217089994 /nfs/dbraw/zinc/08/99/94/217089994.db2.gz OINUZXWDIXTKMG-CBAPKCEASA-N 0 0 303.771 0.680 10 0 DCAERN Cc1nc(CCNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cs1 ZINC000265669218 204785405 /nfs/dbraw/zinc/78/54/05/204785405.db2.gz GBJHRKNZGGQANM-SECBINFHSA-N 0 0 317.436 0.823 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000282721793 217201229 /nfs/dbraw/zinc/20/12/29/217201229.db2.gz ZHQYOKUZTFRBOG-BXKDBHETSA-N 0 0 300.355 0.912 10 0 DCAERN COC(=O)[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000266275225 284332599 /nfs/dbraw/zinc/33/25/99/284332599.db2.gz SACSWKPVQPYTPH-QWHCGFSZSA-N 0 0 320.393 0.827 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266013590 205025335 /nfs/dbraw/zinc/02/53/35/205025335.db2.gz TWPFKYQAFFNMJG-LBPRGKRZSA-N 0 0 319.283 0.745 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000019987811 182174303 /nfs/dbraw/zinc/17/43/03/182174303.db2.gz MKZDEVIGNKOWTQ-QMMMGPOBSA-N 0 0 324.811 0.388 10 0 DCAERN O=C(CCc1nc2ccccc2oc1=O)N[C@@H]1CNC(=O)C1 ZINC000572683833 291583182 /nfs/dbraw/zinc/58/31/82/291583182.db2.gz JKVTXHCAMIRUSL-VIFPVBQESA-N 0 0 301.302 0.125 10 0 DCAERN O=C(Cn1ncn2c(cc3ccccc32)c1=O)N1CCOCC1 ZINC000020862746 182250149 /nfs/dbraw/zinc/25/01/49/182250149.db2.gz NDHVNHKGFHULCB-UHFFFAOYSA-N 0 0 312.329 0.508 10 0 DCAERN CN(Cc1nnnn1C)c1nnc(Cc2ccc(F)cc2)n1C ZINC000572891963 291596568 /nfs/dbraw/zinc/59/65/68/291596568.db2.gz DTSAEZFARUIPAT-UHFFFAOYSA-N 0 0 316.344 0.705 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1S(C)(=O)=O ZINC000129169688 545781791 /nfs/dbraw/zinc/78/17/91/545781791.db2.gz ONDGJSUVZZGRCU-ONGXEEELSA-N 0 0 310.375 0.862 10 0 DCAERN COc1cc(Cc2c(N)nc(N)nc2N)cc(OC)c1OC ZINC000027624743 182483260 /nfs/dbraw/zinc/48/32/60/182483260.db2.gz WNEVLCULMWGEHD-UHFFFAOYSA-N 0 0 305.338 0.840 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2O)cc1 ZINC000101628244 193829391 /nfs/dbraw/zinc/82/93/91/193829391.db2.gz GKYXIHAAIYUTJY-UHFFFAOYSA-N 0 0 320.370 0.899 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC2CCC3(CC3)CC2)[C@H](C)C1 ZINC000573874243 291661043 /nfs/dbraw/zinc/66/10/43/291661043.db2.gz WYKIOHFZLGPRRA-GFCCVEGCSA-N 0 0 321.421 0.905 10 0 DCAERN CCCN(CC(=O)OCC)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000038021508 182967888 /nfs/dbraw/zinc/96/78/88/182967888.db2.gz CCJOYMJHBZFCOS-UHFFFAOYSA-N 0 0 322.408 0.709 10 0 DCAERN COCCCC(=O)Nc1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000039125335 183014433 /nfs/dbraw/zinc/01/44/33/183014433.db2.gz UYIQBCHUJOUGFD-UHFFFAOYSA-N 0 0 312.370 0.150 10 0 DCAERN CN1C(=O)[C@H](O)C[C@H]1c1ccc[n+](CCCCCC(=O)[O-])c1 ZINC000044136376 183396416 /nfs/dbraw/zinc/39/64/16/183396416.db2.gz GPEZCDKUTIUNKA-UONOGXRCSA-O 0 0 307.370 0.883 10 0 in-vitro DCAERN CN1CCO[C@@H](CNC(=O)NCCOc2cccc(F)c2)C1 ZINC000104782818 194040249 /nfs/dbraw/zinc/04/02/49/194040249.db2.gz BYGILRPANJSPLP-AWEZNQCLSA-N 0 0 311.357 0.834 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCCNc2ccccn2)C1 ZINC000104797594 194042366 /nfs/dbraw/zinc/04/23/66/194042366.db2.gz SWWXWTJPRHZZQF-ZDUSSCGKSA-N 0 0 307.398 0.513 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000371977560 291713939 /nfs/dbraw/zinc/71/39/39/291713939.db2.gz DRIUPPSGVMFYAK-DYEKYZERSA-N 0 0 319.423 0.752 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C2CC2)CC1)[C@@H](C)N1CCOCC1 ZINC000105298314 194094198 /nfs/dbraw/zinc/09/41/98/194094198.db2.gz RMDDWIUGKCLXMO-ZIAGYGMSSA-N 0 0 310.442 0.585 10 0 DCAERN C[C@H](CNC(=O)Nc1ccc(C(N)=O)c(F)c1)N1CCOCC1 ZINC000105342064 194097556 /nfs/dbraw/zinc/09/75/56/194097556.db2.gz UEAKJYPYOOXPPT-SNVBAGLBSA-N 0 0 324.356 0.767 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000106381511 194204624 /nfs/dbraw/zinc/20/46/24/194204624.db2.gz PEAVFETWPKDHQK-LBPRGKRZSA-N 0 0 316.398 0.903 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000106393395 194206060 /nfs/dbraw/zinc/20/60/60/194206060.db2.gz YIPLIPBGDFVVJV-STQMWFEESA-N 0 0 314.430 0.129 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCC[S@](C)=O)cc1C ZINC000109920256 194298079 /nfs/dbraw/zinc/29/80/79/194298079.db2.gz UQSXPBKPTWUEEM-OAQYLSRUSA-N 0 0 310.419 0.918 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000110958225 194374173 /nfs/dbraw/zinc/37/41/73/194374173.db2.gz HQGQLULXTAIJHN-AWEZNQCLSA-N 0 0 320.393 0.316 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC(=O)[O-])CC2)cc1 ZINC000060205918 184144968 /nfs/dbraw/zinc/14/49/68/184144968.db2.gz GGWCMTDTOHDKHM-UHFFFAOYSA-N 0 0 312.391 0.776 10 0 DCAERN COC[C@](C)(NC(=O)COCc1nc(C)no1)C(F)(F)F ZINC000362204703 262008815 /nfs/dbraw/zinc/00/88/15/262008815.db2.gz PAXQELAZWBPJSX-JTQLQIEISA-N 0 0 311.260 0.978 10 0 DCAERN CCN(CCCNC(=O)[C@H](C)c1cccnc1)S(C)(=O)=O ZINC000174164827 284910598 /nfs/dbraw/zinc/91/05/98/284910598.db2.gz ZLOHZZHIYQAFKK-GFCCVEGCSA-N 0 0 313.423 0.973 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCS(=O)(=O)C1 ZINC000062962205 184262344 /nfs/dbraw/zinc/26/23/44/184262344.db2.gz HYBJQSVYAQFPOZ-SECBINFHSA-N 0 0 304.393 0.241 10 0 DCAERN CN(Cc1ccccc1N)S(=O)(=O)CCS(C)(=O)=O ZINC000063142014 184273303 /nfs/dbraw/zinc/27/33/03/184273303.db2.gz JVFWCYMNNLSGRB-UHFFFAOYSA-N 0 0 306.409 0.075 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NCCCO)c2)no1 ZINC000064574271 184300588 /nfs/dbraw/zinc/30/05/88/184300588.db2.gz VOXFSNWXXISTED-UHFFFAOYSA-N 0 0 304.306 0.482 10 0 DCAERN NS(=O)(=O)c1cnn(CC(=O)NC/C=C/c2ccccc2)c1 ZINC000112725735 194512992 /nfs/dbraw/zinc/51/29/92/194512992.db2.gz SBMBGYMVUCORRO-QPJJXVBHSA-N 0 0 320.374 0.360 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)N[C@H]1CCc2ncnn2C1 ZINC000112741321 194515882 /nfs/dbraw/zinc/51/58/82/194515882.db2.gz QEJAOBHDXCFQQU-STQMWFEESA-N 0 0 323.397 0.478 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000112906429 194533621 /nfs/dbraw/zinc/53/36/21/194533621.db2.gz GFMKFTYLPFFGIC-YPMHNXCESA-N 0 0 318.377 0.934 10 0 DCAERN CCc1nn(C)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000092199834 252591775 /nfs/dbraw/zinc/59/17/75/252591775.db2.gz CAEYRMWYIYONRW-UHFFFAOYSA-N 0 0 322.390 0.560 10 0 DCAERN C[C@H](NC(=O)COC[C@@H]1CCOC1)C(=O)N1CCCC[C@H]1C ZINC000117803942 194850320 /nfs/dbraw/zinc/85/03/20/194850320.db2.gz JFMFJMOITHYPHJ-HZSPNIEDSA-N 0 0 312.410 0.945 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2Cc3ccccc3S2)C1 ZINC000314290418 252644039 /nfs/dbraw/zinc/64/40/39/252644039.db2.gz KODLCUAZXNHYHG-DOMZBBRYSA-N 0 0 306.387 0.542 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CC(=O)N(CC3CC3)C2)C1 ZINC000332993672 252669843 /nfs/dbraw/zinc/66/98/43/252669843.db2.gz AIDTXDRIEOIAKS-LBPRGKRZSA-N 0 0 308.382 0.272 10 0 DCAERN CN1C(=O)CC[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333495255 252730315 /nfs/dbraw/zinc/73/03/15/252730315.db2.gz RLEGPQUMCOKBOJ-YTWAJWBKSA-N 0 0 300.380 0.242 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CC[C@@H](CCO)C2)cn1 ZINC000333356609 252710983 /nfs/dbraw/zinc/71/09/83/252710983.db2.gz GNFFMDGYQOEYHS-YUTCNCBUSA-N 0 0 308.382 0.664 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H]2CCCC[C@H]2O)cn1 ZINC000333444918 252723501 /nfs/dbraw/zinc/72/35/01/252723501.db2.gz XFDGWWZJBFIZAT-DGAVXFQQSA-N 0 0 308.382 0.853 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333453283 252725135 /nfs/dbraw/zinc/72/51/35/252725135.db2.gz ZCNOPNBRQHUEDP-LHMODEAPSA-N 0 0 321.381 0.216 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)C2CC2)C1 ZINC000333594211 252741015 /nfs/dbraw/zinc/74/10/15/252741015.db2.gz PMOBLJAJWLWLIT-NSHDSACASA-N 0 0 311.407 0.336 10 0 DCAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000408044599 296352071 /nfs/dbraw/zinc/35/20/71/296352071.db2.gz AKVNFXLPLTVGQK-BHPKHCPMSA-N 0 0 311.426 0.598 10 0 DCAERN COCCN1CCN(c2ncccc2S(C)(=O)=O)C[C@H]1C ZINC000302430315 285052595 /nfs/dbraw/zinc/05/25/95/285052595.db2.gz LCHACQZNSFWQDA-GFCCVEGCSA-N 0 0 313.423 0.642 10 0 DCAERN COc1ccnc(N2CCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302023096 533069656 /nfs/dbraw/zinc/06/96/56/533069656.db2.gz JCIMZBANIMLIQM-UHFFFAOYSA-N 0 0 314.349 0.306 10 0 DCAERN O=C1NC[C@H]2CN([C@@H]3CCc4c3cccc4Cl)CCN2C1=O ZINC000246569427 296384719 /nfs/dbraw/zinc/38/47/19/296384719.db2.gz FLIUYSSFWSYXAS-IINYFYTJSA-N 0 0 319.792 0.970 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000288702646 220356203 /nfs/dbraw/zinc/35/62/03/220356203.db2.gz YCJCROGKPUCDLW-INIZCTEOSA-N 0 0 319.361 0.737 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC[C@@H](C)[S@](C)=O)on1 ZINC000346158385 254016657 /nfs/dbraw/zinc/01/66/57/254016657.db2.gz UOQQHYLUFZDBHX-SQFXPLBJSA-N 0 0 302.352 0.738 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@H](CO)CN2CCOCC2)ccc1C ZINC000347670676 254177439 /nfs/dbraw/zinc/17/74/39/254177439.db2.gz QEBCCZYOZPANNH-HNNXBMFYSA-N 0 0 320.389 0.621 10 0 DCAERN CO[C@H](C)c1noc(CN2CCN(c3cccnn3)CC2)n1 ZINC000175153265 533130298 /nfs/dbraw/zinc/13/02/98/533130298.db2.gz SKLUETBRYLZEFD-LLVKDONJSA-N 0 0 304.354 0.889 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2C)c1 ZINC000351049674 254332763 /nfs/dbraw/zinc/33/27/63/254332763.db2.gz BSJDKUTZGKCPMR-HZMBPMFUSA-N 0 0 319.361 0.590 10 0 DCAERN O=S(=O)(NCC[C@H](O)C(F)(F)F)c1cncc(F)c1 ZINC000349980169 254307217 /nfs/dbraw/zinc/30/72/17/254307217.db2.gz YVNRXPUWJJNVLJ-QMMMGPOBSA-N 0 0 302.249 0.812 10 0 DCAERN CN(C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1)C(=O)[C@H]1CCCO1 ZINC000351803639 254370719 /nfs/dbraw/zinc/37/07/19/254370719.db2.gz FTNAXWYTOHLKKM-QLFBSQMISA-N 0 0 324.400 0.970 10 0 DCAERN O=c1[nH]c(CCN2CCO[C@@]3(CCOC3)C2)nc2ccccc21 ZINC000185151834 285195840 /nfs/dbraw/zinc/19/58/40/285195840.db2.gz GRHRIXINLVJJQI-KRWDZBQOSA-N 0 0 315.373 0.957 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)NCCNC(=O)C1CC1 ZINC000189696788 533144476 /nfs/dbraw/zinc/14/44/76/533144476.db2.gz VYQRIZMIZKIIIO-JTQLQIEISA-N 0 0 306.366 0.977 10 0 DCAERN C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)C(=O)NC(C)(C)C ZINC000188002652 533181556 /nfs/dbraw/zinc/18/15/56/533181556.db2.gz URCNSZDGOHFOCL-MRVPVSSYSA-N 0 0 310.354 0.481 10 0 DCAERN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(=O)C2CCOCC2)cn1 ZINC000248165094 257107257 /nfs/dbraw/zinc/10/72/57/257107257.db2.gz ZMBKPDCYFVFEJV-KGLIPLIRSA-N 0 0 318.377 0.553 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@]12CCNC2=O ZINC000249687143 257107443 /nfs/dbraw/zinc/10/74/43/257107443.db2.gz HFIQJHOUBGJVIB-IUODEOHRSA-N 0 0 308.403 0.974 10 0 DCAERN Cn1cc(C[C@@H]2[C@H](O)CCN2C(=O)c2ccncc2F)cn1 ZINC000248129397 257108417 /nfs/dbraw/zinc/10/84/17/257108417.db2.gz MSPCFDPIPPYCDU-ZIAGYGMSSA-N 0 0 304.325 0.772 10 0 DCAERN Cc1noc([C@]23CCO[C@H]2CCN(C(=O)c2cnccn2)C3)n1 ZINC000248050150 257109269 /nfs/dbraw/zinc/10/92/69/257109269.db2.gz WWWKNTNJPBVKKA-WFASDCNBSA-N 0 0 315.333 0.741 10 0 DCAERN CCS(=O)(=O)N1C[C@H](c2nnc(C)o2)C[C@@H]2OCC[C@@H]21 ZINC000248028712 257110540 /nfs/dbraw/zinc/11/05/40/257110540.db2.gz OQKJVSKUBNFGMM-VWYCJHECSA-N 0 0 301.368 0.675 10 0 DCAERN CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCO[C@@H]12 ZINC000247927649 257114073 /nfs/dbraw/zinc/11/40/73/257114073.db2.gz FCJAQPVWQOESPT-AGIUHOORSA-N 0 0 310.375 0.211 10 0 DCAERN COCCN1C(=O)CC[C@H]2[C@H]1CCN2C(=O)c1ccnnc1 ZINC000247889937 257114870 /nfs/dbraw/zinc/11/48/70/257114870.db2.gz SVXLKIOKRCXYHI-QWHCGFSZSA-N 0 0 304.350 0.329 10 0 DCAERN O=C(c1cnccn1)N1C[C@@H]2CN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000247851232 257115845 /nfs/dbraw/zinc/11/58/45/257115845.db2.gz HFDBIAQYTNZDEW-DGCLKSJQSA-N 0 0 309.329 0.607 10 0 DCAERN O=C1[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2CN1Cc1cccnc1 ZINC000247848312 257117657 /nfs/dbraw/zinc/11/76/57/257117657.db2.gz FOQOCGXQMDCIGK-GXTWGEPZSA-N 0 0 321.402 0.464 10 0 DCAERN O=C([C@@H]1CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21)N1CCCO1 ZINC000247761458 257118192 /nfs/dbraw/zinc/11/81/92/257118192.db2.gz HSFDHTUBWCXTAN-ZNMIVQPWSA-N 0 0 303.362 0.692 10 0 DCAERN CS(=O)(=O)NCC[C@H]1CCOC12CN(Cc1ccco1)C2 ZINC000247506192 257119637 /nfs/dbraw/zinc/11/96/37/257119637.db2.gz GZDIFBSAGQOHFT-LBPRGKRZSA-N 0 0 314.407 0.810 10 0 DCAERN O=S(=O)(C1CC1)N1C[C@H]2COC[C@@]2(COc2ccccn2)C1 ZINC000247330082 257120306 /nfs/dbraw/zinc/12/03/06/257120306.db2.gz ORNDPTKEMUTZSX-SWLSCSKDSA-N 0 0 324.402 0.901 10 0 DCAERN O=C([C@@H]1CCCO1)N1C[C@@H]2CN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000253616361 257104213 /nfs/dbraw/zinc/10/42/13/257104213.db2.gz MLYGTRZWKJGDAS-BNOWGMLFSA-N 0 0 301.346 0.682 10 0 DCAERN O[C@]1(C(F)(F)F)CCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000277845270 285375416 /nfs/dbraw/zinc/37/54/16/285375416.db2.gz QLXLHPMVLGCFCS-GFCCVEGCSA-N 0 0 318.299 0.817 10 0 DCAERN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)[C@H](C)C1 ZINC000187744725 533281545 /nfs/dbraw/zinc/28/15/45/533281545.db2.gz ICOBVFDDTSTOEG-KGLIPLIRSA-N 0 0 323.412 0.829 10 0 DCAERN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000274204422 130215929 /nfs/dbraw/zinc/21/59/29/130215929.db2.gz LZASRQAUGICZDD-GFCCVEGCSA-N 0 0 317.393 0.896 10 0 DCAERN CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)C1COC1 ZINC000276993324 130568622 /nfs/dbraw/zinc/56/86/22/130568622.db2.gz HCYSGYNKBFUAGG-ZDUSSCGKSA-N 0 0 310.375 0.452 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284005520 131040020 /nfs/dbraw/zinc/04/00/20/131040020.db2.gz MSRADTGWEOLJMG-ZIAGYGMSSA-N 0 0 320.393 0.705 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)CN1CCCCCC1=O ZINC000284089543 131047657 /nfs/dbraw/zinc/04/76/57/131047657.db2.gz MZFHTLUCDQAECR-LBPRGKRZSA-N 0 0 321.381 0.118 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2cccnc2)CC(C)(C)O1 ZINC000284381533 131074998 /nfs/dbraw/zinc/07/49/98/131074998.db2.gz DTJMZZGUFRAFDV-NSHDSACASA-N 0 0 300.380 0.896 10 0 DCAERN NC(=O)C[C@@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284442141 131080632 /nfs/dbraw/zinc/08/06/32/131080632.db2.gz ZQFLFQPJJGWOPF-LBPRGKRZSA-N 0 0 318.377 0.993 10 0 DCAERN COc1cccc(CCNC(=O)[C@]2(O)CCCN(C(C)=O)C2)c1 ZINC000284600907 131095818 /nfs/dbraw/zinc/09/58/18/131095818.db2.gz BPTBRVMIRNZDAQ-KRWDZBQOSA-N 0 0 320.389 0.727 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(C)c1 ZINC000284940440 131124759 /nfs/dbraw/zinc/12/47/59/131124759.db2.gz JJQXOSREZREINC-MNOVXSKESA-N 0 0 300.355 0.890 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)cn1 ZINC000285001450 131130203 /nfs/dbraw/zinc/13/02/03/131130203.db2.gz LWEUSAPDNMXCDS-SCZZXKLOSA-N 0 0 304.347 0.050 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285322373 131158109 /nfs/dbraw/zinc/15/81/09/131158109.db2.gz URLKMQMQDBKIRP-UONOGXRCSA-N 0 0 314.345 0.512 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000285585452 131183176 /nfs/dbraw/zinc/18/31/76/131183176.db2.gz QQHHIGPINWOGKO-LYGAQUJYSA-N 0 0 324.327 0.907 10 0 DCAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285633511 131188177 /nfs/dbraw/zinc/18/81/77/131188177.db2.gz SXTXKMKGOUKVLX-UEKVPHQBSA-N 0 0 308.403 0.999 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)c2n1 ZINC000285698300 131194729 /nfs/dbraw/zinc/19/47/29/131194729.db2.gz IPTJUDAFXNMFOG-ZIAGYGMSSA-N 0 0 315.377 0.583 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1C[C@@H](F)C[C@H]1CO ZINC000366668370 131417302 /nfs/dbraw/zinc/41/73/02/131417302.db2.gz WRCPBWRKOLVKHH-NRPADANISA-N 0 0 315.374 0.420 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000292556481 131658313 /nfs/dbraw/zinc/65/83/13/131658313.db2.gz KKTGYZVOOXWDHY-GFCCVEGCSA-N 0 0 302.400 0.212 10 0 DCAERN CCc1ccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000121317225 132154025 /nfs/dbraw/zinc/15/40/25/132154025.db2.gz MRAZPMMQIXEHGV-AWEZNQCLSA-N 0 0 310.419 0.942 10 0 DCAERN C[C@H]1CN(C(=O)CN(C)Cc2ccccc2)CCS1(=O)=O ZINC000121733186 132158842 /nfs/dbraw/zinc/15/88/42/132158842.db2.gz BVDSZLPMYXYIJF-ZDUSSCGKSA-N 0 0 310.419 0.764 10 0 DCAERN O=C(Cn1cnnn1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000053351538 134768916 /nfs/dbraw/zinc/76/89/16/134768916.db2.gz AXLPQVQTXHJFKD-UHFFFAOYSA-N 0 0 314.349 0.506 10 0 DCAERN COc1ccccc1C(=O)N[C@H](CO)C1N=NC(=S)N1C ZINC000009928028 395685734 /nfs/dbraw/zinc/68/57/34/395685734.db2.gz IXWZMUGYMJKNCY-SECBINFHSA-N 0 0 308.363 0.576 10 0 DCAERN CCCNC(=O)CNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000008032314 395683853 /nfs/dbraw/zinc/68/38/53/395683853.db2.gz FGXAIPRPAJRPTE-CQSZACIVSA-N 0 0 305.378 0.896 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCCO2)cs1 ZINC000088379439 395707307 /nfs/dbraw/zinc/70/73/07/395707307.db2.gz DZQYRMQGVGPGQM-VIFPVBQESA-N 0 0 304.393 0.694 10 0 DCAERN C[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@@H]1O ZINC000089419737 395711454 /nfs/dbraw/zinc/71/14/54/395711454.db2.gz MVFDFCJQBNHQMD-YPMHNXCESA-N 0 0 303.424 0.963 10 0 DCAERN C[C@@H]1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C[C@@H]1O ZINC000089475739 395712217 /nfs/dbraw/zinc/71/22/17/395712217.db2.gz WHYHJAQEUHHGGL-MNOVXSKESA-N 0 0 304.412 0.224 10 0 DCAERN COc1ccc(SCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000089753171 395714210 /nfs/dbraw/zinc/71/42/10/395714210.db2.gz NZYQXMYAONTGJM-LLVKDONJSA-N 0 0 308.359 0.709 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N(CC(N)=O)CC(C)C)no2)c1 ZINC000089702510 395714232 /nfs/dbraw/zinc/71/42/32/395714232.db2.gz HZVWOPHFLQMNKL-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](O)C1 ZINC000035187313 395719932 /nfs/dbraw/zinc/71/99/32/395719932.db2.gz AOWPSPGZQVCLQB-RYUDHWBXSA-N 0 0 304.412 0.174 10 0 DCAERN O=C(c1cccnc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000037142021 395726355 /nfs/dbraw/zinc/72/63/55/395726355.db2.gz HLLXHFSHIBFBAF-CQSZACIVSA-N 0 0 303.362 0.793 10 0 DCAERN COC(=O)Cn1cc(NS(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000038030633 395731087 /nfs/dbraw/zinc/73/10/87/395731087.db2.gz IHFBAHUDFCMGPR-JTQLQIEISA-N 0 0 316.383 0.445 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000042631973 395746763 /nfs/dbraw/zinc/74/67/63/395746763.db2.gz QBRBVERGYPHUCB-UWVGGRQHSA-N 0 0 319.452 0.938 10 0 DCAERN C[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCC1=O ZINC000193923323 395783085 /nfs/dbraw/zinc/78/30/85/395783085.db2.gz QQRBNYBKZZFLGN-SECBINFHSA-N 0 0 302.338 0.227 10 0 DCAERN Cc1c(Cl)cccc1NC(=O)CCNC(=O)CNC(N)=O ZINC000101671466 395766083 /nfs/dbraw/zinc/76/60/83/395766083.db2.gz JLOPSCWCGMIDNE-UHFFFAOYSA-N 0 0 312.757 0.762 10 0 DCAERN Cc1noc(CCNC(=O)NCCCOC[C@@H]2CCCO2)n1 ZINC000101776848 395767066 /nfs/dbraw/zinc/76/70/66/395767066.db2.gz RVRGAOHUDMFEMW-LBPRGKRZSA-N 0 0 312.370 0.805 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000104035730 395776788 /nfs/dbraw/zinc/77/67/88/395776788.db2.gz IJIDFCTUHZTURB-GWCFXTLKSA-N 0 0 318.377 0.866 10 0 DCAERN CN(CCn1cccn1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000111279020 395805335 /nfs/dbraw/zinc/80/53/35/395805335.db2.gz QJZWBRSCASGVFI-LSDHHAIUSA-N 0 0 306.410 0.985 10 0 DCAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000048112206 395808727 /nfs/dbraw/zinc/80/87/27/395808727.db2.gz DYJREYKRMKFWCY-GXFFZTMASA-N 0 0 301.346 0.853 10 0 DCAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194876157 395810489 /nfs/dbraw/zinc/81/04/89/395810489.db2.gz RIXJNXMEQVUPKT-LBPRGKRZSA-N 0 0 321.402 0.559 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649884 395811577 /nfs/dbraw/zinc/81/15/77/395811577.db2.gz GWLMOPBUFJJAMP-CQSZACIVSA-N 0 0 322.409 0.807 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccnc(C)n3)CCO2)c1 ZINC000112061010 395815170 /nfs/dbraw/zinc/81/51/70/395815170.db2.gz LKQJBWGULZSLFR-CYBMUJFWSA-N 0 0 301.350 0.831 10 0 DCAERN COCCNC(=O)c1ccc(NCCCN2CCCC2=O)nc1 ZINC000112512735 395818578 /nfs/dbraw/zinc/81/85/78/395818578.db2.gz KXJQMCIEABTSPZ-UHFFFAOYSA-N 0 0 320.393 0.882 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112647749 395820285 /nfs/dbraw/zinc/82/02/85/395820285.db2.gz FLWLFENLPMJZGN-AWEZNQCLSA-N 0 0 313.361 0.659 10 0 DCAERN Cc1ccc(CCNC(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000112750492 395824147 /nfs/dbraw/zinc/82/41/47/395824147.db2.gz GRJDDMOFOZSPET-ZDUSSCGKSA-N 0 0 300.366 0.838 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000112890156 395825497 /nfs/dbraw/zinc/82/54/97/395825497.db2.gz RRJOHONRBSULBI-WCQYABFASA-N 0 0 318.377 0.934 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000112911325 395825566 /nfs/dbraw/zinc/82/55/66/395825566.db2.gz ZWMJIMLKJXQELB-RISCZKNCSA-N 0 0 303.362 0.775 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(C)c1 ZINC000113298649 395828839 /nfs/dbraw/zinc/82/88/39/395828839.db2.gz BYYWDUFBQBARCL-NSHDSACASA-N 0 0 322.390 0.888 10 0 DCAERN CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCOC1 ZINC000113315005 395829844 /nfs/dbraw/zinc/82/98/44/395829844.db2.gz GOXQRKWEWSIJKR-GFCCVEGCSA-N 0 0 312.391 0.514 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC(c2ccnn2C)CC1 ZINC000195502190 395829992 /nfs/dbraw/zinc/82/99/92/395829992.db2.gz BBBSCKBAUDQXCI-NSHDSACASA-N 0 0 319.409 0.976 10 0 DCAERN CCn1ccnc1CS(=O)(=O)[C@H](C)C(=O)NCC(C)C ZINC000195519673 395831441 /nfs/dbraw/zinc/83/14/41/395831441.db2.gz GHCPZGRUFCFSIF-LLVKDONJSA-N 0 0 301.412 0.979 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1=O ZINC000113893099 395832215 /nfs/dbraw/zinc/83/22/15/395832215.db2.gz LERBRURVFXMKCN-LBPRGKRZSA-N 0 0 317.349 0.024 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)s1 ZINC000049470417 395832531 /nfs/dbraw/zinc/83/25/31/395832531.db2.gz HTVOWHLAHRJXHC-SNVBAGLBSA-N 0 0 318.420 0.582 10 0 DCAERN CCn1ccnc(N2CCN(c3ccc(N)nc3)CC2)c1=O ZINC000271346278 395859914 /nfs/dbraw/zinc/85/99/14/395859914.db2.gz FBLRIWQLWPRENQ-UHFFFAOYSA-N 0 0 300.366 0.567 10 0 DCAERN CCn1cc(NC(=O)NC[C@H](C)N2CCOCC2)ccc1=O ZINC000050038267 395836047 /nfs/dbraw/zinc/83/60/47/395836047.db2.gz HQKLZTUWECYTSA-LBPRGKRZSA-N 0 0 308.382 0.710 10 0 DCAERN C[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)N1CCOCC1 ZINC000116418328 395843700 /nfs/dbraw/zinc/84/37/00/395843700.db2.gz JPFPHKMQJVPMLW-UONOGXRCSA-N 0 0 321.425 0.640 10 0 DCAERN NC(=O)[C@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000051131210 395846026 /nfs/dbraw/zinc/84/60/26/395846026.db2.gz VNOQPQFSNFWIPF-DLUQRMLASA-N 0 0 321.421 0.258 10 0 DCAERN NC(=O)[C@@H]1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000051131209 395846059 /nfs/dbraw/zinc/84/60/59/395846059.db2.gz VNOQPQFSNFWIPF-ZZTKBFGJSA-N 0 0 321.421 0.258 10 0 DCAERN CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116829967 395846190 /nfs/dbraw/zinc/84/61/90/395846190.db2.gz JXEXQNIVGDDDON-DGCLKSJQSA-N 0 0 318.439 0.874 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000116832964 395846970 /nfs/dbraw/zinc/84/69/70/395846970.db2.gz BBMJHMKWYYLIFI-VIFPVBQESA-N 0 0 303.771 0.499 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000116835656 395847627 /nfs/dbraw/zinc/84/76/27/395847627.db2.gz OWBQQBUFJVWMNR-MRVPVSSYSA-N 0 0 304.318 0.729 10 0 DCAERN CCCN(CC(=O)OC)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000222472697 395852762 /nfs/dbraw/zinc/85/27/62/395852762.db2.gz CCAGSTRWCRCCGN-QWRGUYRKSA-N 0 0 308.400 0.225 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2ccnc2)C[C@@H]1C ZINC000117467473 395853092 /nfs/dbraw/zinc/85/30/92/395853092.db2.gz FFMNQRDCVJQFAR-AWEZNQCLSA-N 0 0 309.414 0.635 10 0 DCAERN COCCN1CCN(C(=O)NCCCc2cnn(C)c2)C[C@H]1C ZINC000117490492 395853286 /nfs/dbraw/zinc/85/32/86/395853286.db2.gz MIAQAXGUGKSIKZ-CQSZACIVSA-N 0 0 323.441 0.715 10 0 DCAERN CNC(=O)c1cccc(Nc2ncnc(N3CC(OC)C3)n2)c1 ZINC000222933636 395853455 /nfs/dbraw/zinc/85/34/55/395853455.db2.gz GIKBLRNGBJQSOS-UHFFFAOYSA-N 0 0 314.349 0.810 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000117799932 395854171 /nfs/dbraw/zinc/85/41/71/395854171.db2.gz JRHKOIVQBMEPKA-HIFRSBDPSA-N 0 0 316.361 0.973 10 0 DCAERN Cc1cnn(CCNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000117812211 395855076 /nfs/dbraw/zinc/85/50/76/395855076.db2.gz ZOKZJLACMFVFMG-HNNXBMFYSA-N 0 0 319.365 0.028 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@H](C(C)C)N2CCOCC2)c1 ZINC000118057259 395857423 /nfs/dbraw/zinc/85/74/23/395857423.db2.gz KSIWKZAHGCHQQX-OAHLLOKOSA-N 0 0 323.441 0.848 10 0 DCAERN Cn1nccc1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000047457767 395792968 /nfs/dbraw/zinc/79/29/68/395792968.db2.gz NGNNDFAEEYOFOB-UHFFFAOYSA-N 0 0 319.365 0.291 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCCOCC(C)C)cn1 ZINC000194361496 395795107 /nfs/dbraw/zinc/79/51/07/395795107.db2.gz ACNNVHZPYYFEEQ-UHFFFAOYSA-N 0 0 311.386 0.813 10 0 DCAERN CN1CCO[C@@H](CNc2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000108945477 395795444 /nfs/dbraw/zinc/79/54/44/395795444.db2.gz KHMNWKRLXUVERU-KBPBESRZSA-N 0 0 321.425 0.428 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cnn(C)c1 ZINC000109106542 395796523 /nfs/dbraw/zinc/79/65/23/395796523.db2.gz AEEFOOFWDAVQSF-OAHLLOKOSA-N 0 0 314.389 0.778 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC000194477665 395798079 /nfs/dbraw/zinc/79/80/79/395798079.db2.gz KOJOSPVRDFTWSV-GHMZBOCLSA-N 0 0 321.381 0.320 10 0 DCAERN Cn1nc2c(c1NC(=O)C(=O)N1CCCSCC1)CCC2 ZINC000270715395 395800209 /nfs/dbraw/zinc/80/02/09/395800209.db2.gz XYZGXXASNWYJAC-UHFFFAOYSA-N 0 0 308.407 0.813 10 0 DCAERN CCN(C(=O)NCCn1cc(C)cn1)[C@H](C)CS(C)(=O)=O ZINC000118079455 395858016 /nfs/dbraw/zinc/85/80/16/395858016.db2.gz CXISYNIQOKPLBD-GFCCVEGCSA-N 0 0 316.427 0.656 10 0 DCAERN CCOC(=O)c1csc(N2CCCS(=O)(=O)CC2)n1 ZINC000233736133 395887465 /nfs/dbraw/zinc/88/74/65/395887465.db2.gz IMJYWRIFPITKMO-UHFFFAOYSA-N 0 0 304.393 0.945 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000245427798 395929247 /nfs/dbraw/zinc/92/92/47/395929247.db2.gz IATPAOCHWMNVRL-CHWSQXEVSA-N 0 0 320.455 0.236 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000054040783 395892506 /nfs/dbraw/zinc/89/25/06/395892506.db2.gz HUQKCUOKQOOUEU-UHFFFAOYSA-N 0 0 314.430 0.311 10 0 DCAERN COc1cccc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)c1 ZINC000123626037 395895785 /nfs/dbraw/zinc/89/57/85/395895785.db2.gz ZQDVHCFBIGNCRB-ZDUSSCGKSA-N 0 0 300.380 0.875 10 0 DCAERN CC(C)(CNC(=O)[C@H]1COCCN1)c1ccc2c(c1)OCCO2 ZINC000236694414 395896257 /nfs/dbraw/zinc/89/62/57/395896257.db2.gz KFJFFSIAOMOEJV-CYBMUJFWSA-N 0 0 320.389 0.840 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000272519768 395896487 /nfs/dbraw/zinc/89/64/87/395896487.db2.gz ZEMYXSPBAHNILK-KOLCDFICSA-N 0 0 315.395 0.183 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H]1COCCN1 ZINC000237224366 395907722 /nfs/dbraw/zinc/90/77/22/395907722.db2.gz YOQOCJYGEYZSTB-CABCVRRESA-N 0 0 308.378 0.011 10 0 DCAERN COCCCCS(=O)(=O)N[C@H](CO)Cc1ccccc1 ZINC000125990100 395908180 /nfs/dbraw/zinc/90/81/80/395908180.db2.gz CIMDTLUECXYHRI-AWEZNQCLSA-N 0 0 301.408 0.936 10 0 DCAERN CN(C)C(=O)CNc1ncc(I)cn1 ZINC000126993381 395914522 /nfs/dbraw/zinc/91/45/22/395914522.db2.gz KPWVZUFUAZRDRQ-UHFFFAOYSA-N 0 0 306.107 0.581 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@@H](C)O1 ZINC000128951246 395918885 /nfs/dbraw/zinc/91/88/85/395918885.db2.gz UDYAAZCPQBKJFM-MFKMUULPSA-N 0 0 309.366 0.450 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000134156760 395930889 /nfs/dbraw/zinc/93/08/89/395930889.db2.gz BAFSWHRGAGHXEW-NSHDSACASA-N 0 0 304.412 0.328 10 0 DCAERN CN1C[C@@H](NC(=O)CNC(=O)Cc2ccccc2)CCC1=O ZINC000131091685 395924088 /nfs/dbraw/zinc/92/40/88/395924088.db2.gz ZVWOEYJUMIRDSZ-ZDUSSCGKSA-N 0 0 303.362 0.082 10 0 DCAERN Cc1cc(C)c(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c(C)c1 ZINC000225487512 395861562 /nfs/dbraw/zinc/86/15/62/395861562.db2.gz YPVBENCTWPVOBI-QGZVFWFLSA-N 0 0 304.390 0.993 10 0 DCAERN C[NH+](C)C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000119410542 395870632 /nfs/dbraw/zinc/87/06/32/395870632.db2.gz IPKQBRODHBHSJH-OAHLLOKOSA-N 0 0 307.394 0.497 10 0 DCAERN CC[C@H](CO)[NH+]1CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC000119445326 395870640 /nfs/dbraw/zinc/87/06/40/395870640.db2.gz STLDOWVBFDQPJH-MRXNPFEDSA-N 0 0 321.421 0.623 10 0 DCAERN O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1COCCO1 ZINC000052901622 395873147 /nfs/dbraw/zinc/87/31/47/395873147.db2.gz VHLQCDYTNXFCNO-CYBMUJFWSA-N 0 0 311.309 0.766 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)CCC1=O ZINC000119852977 395877220 /nfs/dbraw/zinc/87/72/20/395877220.db2.gz QTMDQUORZWTHIU-CZUORRHYSA-N 0 0 323.368 0.953 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000119855179 395877504 /nfs/dbraw/zinc/87/75/04/395877504.db2.gz XNRJDSKSACMNSP-ZDUSSCGKSA-N 0 0 301.350 0.532 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)C[C@H](C)O1 ZINC000120593375 395882354 /nfs/dbraw/zinc/88/23/54/395882354.db2.gz AZOUZKCCMFNZGM-UWVGGRQHSA-N 0 0 304.350 0.928 10 0 DCAERN CCc1cc(NC(=O)CCc2nc(-c3nc[nH]n3)no2)n[nH]1 ZINC000121330918 395883656 /nfs/dbraw/zinc/88/36/56/395883656.db2.gz DLSGSHUZCZGJOO-UHFFFAOYSA-N 0 0 302.298 0.712 10 0 DCAERN Cc1nnc([C@@H]2CN(C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833238 395998485 /nfs/dbraw/zinc/99/84/85/395998485.db2.gz IXRJUZBCGAJFOO-NEPJUHHUSA-N 0 0 306.366 0.972 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CC[C@H](O)CC3)C2)cn1 ZINC000245532250 395931653 /nfs/dbraw/zinc/93/16/53/395931653.db2.gz HFIUUAAPBMEIDX-UMVBOHGHSA-N 0 0 321.425 0.992 10 0 DCAERN CCc1nnc(C)cc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000273598904 395933006 /nfs/dbraw/zinc/93/30/06/395933006.db2.gz LLMMJXHHTZSZDM-UHFFFAOYSA-N 0 0 311.407 0.997 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000273621186 395934212 /nfs/dbraw/zinc/93/42/12/395934212.db2.gz QORBNKWDDQTUDT-UHFFFAOYSA-N 0 0 320.393 0.754 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000245722791 395935009 /nfs/dbraw/zinc/93/50/09/395935009.db2.gz DMRAZOGCXFDCGU-YPMHNXCESA-N 0 0 314.769 0.266 10 0 DCAERN CN(C(=O)[C@@]1(O)CCSC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000245777494 395936181 /nfs/dbraw/zinc/93/61/81/395936181.db2.gz UEFHJCVUFBNYEH-SWLSCSKDSA-N 0 0 322.434 0.772 10 0 DCAERN CCN1CN(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1=O ZINC000248833236 395998776 /nfs/dbraw/zinc/99/87/76/395998776.db2.gz ZJZUYTKQMFXDCF-ZIAGYGMSSA-N 0 0 311.426 0.820 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000135449796 395940268 /nfs/dbraw/zinc/94/02/68/395940268.db2.gz VUDHJOYYHGISIP-MWLCHTKSSA-N 0 0 308.386 0.485 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246199952 395944001 /nfs/dbraw/zinc/94/40/01/395944001.db2.gz CQWYIDJUZSZCLF-BXUZGUMPSA-N 0 0 318.377 0.911 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000246263845 395945348 /nfs/dbraw/zinc/94/53/48/395945348.db2.gz QVOVNLKEJPMLLT-DUVNUKRYSA-N 0 0 317.389 0.955 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCN1c1nccs1 ZINC000246768207 395957045 /nfs/dbraw/zinc/95/70/45/395957045.db2.gz YPXZJXVVDQPOML-IUCAKERBSA-N 0 0 308.363 0.033 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000246819466 395958813 /nfs/dbraw/zinc/95/88/13/395958813.db2.gz RHZYSBPOWSXWBD-HOCLYGCPSA-N 0 0 317.389 0.440 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CCO2)[nH]1 ZINC000246908665 395960911 /nfs/dbraw/zinc/96/09/11/395960911.db2.gz IGOHUYKUTXDFQC-OBJOEFQTSA-N 0 0 321.425 0.991 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)COc2ccccc2)C1 ZINC000247001690 395963743 /nfs/dbraw/zinc/96/37/43/395963743.db2.gz GRHSWJIPHDUNEV-QWHCGFSZSA-N 0 0 314.407 0.050 10 0 DCAERN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)NCC[C@H]12 ZINC000146943127 395965610 /nfs/dbraw/zinc/96/56/10/395965610.db2.gz PXSGENNEQDCLDS-TZMCWYRMSA-N 0 0 317.345 0.939 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000247130005 395967924 /nfs/dbraw/zinc/96/79/24/395967924.db2.gz XCLQKQOPTOCWIQ-IJLUTSLNSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1Cc2ccccc2[C@H]1O)N1CCOCC1 ZINC000247258500 395970880 /nfs/dbraw/zinc/97/08/80/395970880.db2.gz WSWKQEJTBZVLBY-UHOFOFEASA-N 0 0 319.405 0.665 10 0 DCAERN COCCN1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000247376045 395972418 /nfs/dbraw/zinc/97/24/18/395972418.db2.gz VHFCHADJJKAJGP-ILXRZTDVSA-N 0 0 313.442 0.275 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000150771930 395972712 /nfs/dbraw/zinc/97/27/12/395972712.db2.gz IOPWOEBOMKNSQR-UONOGXRCSA-N 0 0 312.410 0.945 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000150920319 395975677 /nfs/dbraw/zinc/97/56/77/395975677.db2.gz SECVCGGGQSKFOF-VXGBXAGGSA-N 0 0 304.412 0.632 10 0 DCAERN Cc1cc(NC(=O)NC[C@H]2CN(C)CCO2)ccc1C(N)=O ZINC000150934884 395975748 /nfs/dbraw/zinc/97/57/48/395975748.db2.gz MOWNHVLYHXXTCH-LBPRGKRZSA-N 0 0 306.366 0.546 10 0 DCAERN Cc1cccc(OC[C@H](O)CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000151053739 395977512 /nfs/dbraw/zinc/97/75/12/395977512.db2.gz LZGMDQAJLMYTRO-ZIAGYGMSSA-N 0 0 313.419 0.854 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000151083972 395978851 /nfs/dbraw/zinc/97/88/51/395978851.db2.gz CAESTZHVIVNKHR-ZDUSSCGKSA-N 0 0 315.320 0.779 10 0 DCAERN CCn1c2ccc(C(=O)N[C@H](C)[C@H](C)CO)cc2[nH]c(=O)c1=O ZINC000151168038 395980554 /nfs/dbraw/zinc/98/05/54/395980554.db2.gz DNFZSRSKUVNJHN-NXEZZACHSA-N 0 0 319.361 0.456 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247974942 395981194 /nfs/dbraw/zinc/98/11/94/395981194.db2.gz KPRQVNGLUHTXDG-XEZPLFJOSA-N 0 0 309.410 0.992 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000275523445 395984747 /nfs/dbraw/zinc/98/47/47/395984747.db2.gz CIKGBYSBEQSYRR-MJBXVCDLSA-N 0 0 319.409 0.870 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000248642066 395991855 /nfs/dbraw/zinc/99/18/55/395991855.db2.gz MUGRVKJJAMYPGD-CYBMUJFWSA-N 0 0 313.427 0.892 10 0 DCAERN C[C@@H](C(=O)N1CCN(c2cccnn2)CC1)N1CCSCC1 ZINC000151965534 395997319 /nfs/dbraw/zinc/99/73/19/395997319.db2.gz MVZNPZPUVLWGCN-ZDUSSCGKSA-N 0 0 321.450 0.563 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252802573 396025087 /nfs/dbraw/zinc/02/50/87/396025087.db2.gz PHYZGKRIGOTMIA-ZSBIGDGJSA-N 0 0 306.428 0.636 10 0 DCAERN Cn1nccc1CNC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000153748064 396025753 /nfs/dbraw/zinc/02/57/53/396025753.db2.gz JTDIIDPPHQOEOB-LBPRGKRZSA-N 0 0 305.313 0.585 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000153762762 396025987 /nfs/dbraw/zinc/02/59/87/396025987.db2.gz FFGGNRVOJUYJND-SECBINFHSA-N 0 0 312.320 0.589 10 0 DCAERN Cc1nc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(=O)[nH]c1C ZINC000253556381 396030700 /nfs/dbraw/zinc/03/07/00/396030700.db2.gz HXBDFSQVCCBVKL-UWVGGRQHSA-N 0 0 308.382 0.326 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154134361 396032365 /nfs/dbraw/zinc/03/23/65/396032365.db2.gz OBXYRAGKUWPALD-KBPBESRZSA-N 0 0 324.425 0.947 10 0 DCAERN CCN(CCS(C)(=O)=O)C[C@H](O)COCc1ccccc1 ZINC000154252178 396035209 /nfs/dbraw/zinc/03/52/09/396035209.db2.gz RZXBGTXQNHGNAU-HNNXBMFYSA-N 0 0 315.435 0.931 10 0 DCAERN NC(=O)CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067842095 396035993 /nfs/dbraw/zinc/03/59/93/396035993.db2.gz GCNBMMIEZWXGFT-NWDGAFQWSA-N 0 0 320.345 0.358 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000154337490 396036456 /nfs/dbraw/zinc/03/64/56/396036456.db2.gz MBWDFQOIVGDLBQ-AAEUAGOBSA-N 0 0 316.361 0.227 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCn2cnnc2[C@@H]1C ZINC000277003440 396043378 /nfs/dbraw/zinc/04/33/78/396043378.db2.gz XZPOCPNFZAJKQT-UWVGGRQHSA-N 0 0 309.395 0.493 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000155379487 396050131 /nfs/dbraw/zinc/05/01/31/396050131.db2.gz JKGSLVNGXBAZCV-IUCAKERBSA-N 0 0 303.409 0.589 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155374339 396050452 /nfs/dbraw/zinc/05/04/52/396050452.db2.gz ISWIFGFCIKLRCK-LLVKDONJSA-N 0 0 316.448 0.792 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2cscn2)CC1 ZINC000261856827 396072579 /nfs/dbraw/zinc/07/25/79/396072579.db2.gz ADSZUEPZSSKGCA-NSHDSACASA-N 0 0 316.377 0.785 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)NCCc1c(C)nn(C)c1C ZINC000156848916 396061976 /nfs/dbraw/zinc/06/19/76/396061976.db2.gz NLLMNWOLXGKRIR-AWEZNQCLSA-N 0 0 314.455 0.993 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)cn1 ZINC000261773488 396064381 /nfs/dbraw/zinc/06/43/81/396064381.db2.gz SMDORMUFPHWEPD-CQSZACIVSA-N 0 0 321.406 0.633 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@@H](C)O1 ZINC000157934276 396064567 /nfs/dbraw/zinc/06/45/67/396064567.db2.gz HYOOYLYEFYTMCE-YGRLFVJLSA-N 0 0 317.345 0.894 10 0 DCAERN C[C@@H](c1nnc(I)o1)S(C)(=O)=O ZINC000157921600 396064633 /nfs/dbraw/zinc/06/46/33/396064633.db2.gz HKHZCQDGDFJLFM-VKHMYHEASA-N 0 0 302.093 0.780 10 0 DCAERN Cc1nc(Cl)ccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000152200427 396003032 /nfs/dbraw/zinc/00/30/32/396003032.db2.gz SNGYRUMMAFBXGH-SECBINFHSA-N 0 0 317.798 0.807 10 0 DCAERN CN1CC[C@@H](NC(=O)CCc2ccc3c(c2)OCCO3)C1=O ZINC000152435937 396009797 /nfs/dbraw/zinc/00/97/97/396009797.db2.gz PLRVEMJTPHKHLO-GFCCVEGCSA-N 0 0 304.346 0.737 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000152752391 396016134 /nfs/dbraw/zinc/01/61/34/396016134.db2.gz WHQKHEXQHMTLTA-WOPDTQHZSA-N 0 0 318.381 0.046 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)C2)[C@@H]1Oc1ccccc1 ZINC000251657864 396016736 /nfs/dbraw/zinc/01/67/36/396016736.db2.gz KDWBQQPZHQRQSM-ZIEJDFEHSA-N 0 0 318.373 0.864 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251800501 396017419 /nfs/dbraw/zinc/01/74/19/396017419.db2.gz MFRIWEQCMRBAIW-QJPTWQEYSA-N 0 0 304.412 0.630 10 0 DCAERN Cc1ccc(C[C@@H]([NH3+])[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319107 396090288 /nfs/dbraw/zinc/09/02/88/396090288.db2.gz KECAWAXFNFZHBY-QLFBSQMISA-N 0 0 322.405 0.841 10 0 DCAERN Cn1cc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1=O ZINC000175762079 396141270 /nfs/dbraw/zinc/14/12/70/396141270.db2.gz BFLJAVNCCQYVNJ-NSHDSACASA-N 0 0 306.366 0.906 10 0 DCAERN NC(=O)c1cc[nH]c1[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000169789259 396093513 /nfs/dbraw/zinc/09/35/13/396093513.db2.gz TXTPGRBDXFDTSU-GFCCVEGCSA-N 0 0 320.393 0.152 10 0 DCAERN O=C(C1CC1)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169790124 396093531 /nfs/dbraw/zinc/09/35/31/396093531.db2.gz KSOKHBMYFUVIKQ-UHFFFAOYSA-N 0 0 312.373 0.888 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C)s1 ZINC000070703452 396104103 /nfs/dbraw/zinc/10/41/03/396104103.db2.gz SRHFPIAPSPOPGI-VIFPVBQESA-N 0 0 318.424 0.989 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CNC(=O)C1 ZINC000171068768 396105831 /nfs/dbraw/zinc/10/58/31/396105831.db2.gz LKDRRNPVMNZLJQ-JTQLQIEISA-N 0 0 307.325 0.737 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000171279139 396112806 /nfs/dbraw/zinc/11/28/06/396112806.db2.gz LATQGGVSBASFGM-CQSZACIVSA-N 0 0 315.439 0.290 10 0 DCAERN Cn1c(CNC(=O)NC[C@@H]2CN(C)CCO2)nc2ccccc21 ZINC000171594637 396119311 /nfs/dbraw/zinc/11/93/11/396119311.db2.gz FFSONRKYTXJIAC-GFCCVEGCSA-N 0 0 317.393 0.703 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000171576632 396119354 /nfs/dbraw/zinc/11/93/54/396119354.db2.gz NNETXBUETJEFTI-LBPRGKRZSA-N 0 0 318.377 0.753 10 0 DCAERN COCCCNC(=O)C1CCN(C(=O)C(C)(C)OC)CC1 ZINC000171596607 396119827 /nfs/dbraw/zinc/11/98/27/396119827.db2.gz IDHCGQOEOOQIDV-UHFFFAOYSA-N 0 0 300.399 0.803 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000171615284 396120816 /nfs/dbraw/zinc/12/08/16/396120816.db2.gz XQWBHFDVTFAQHY-GFCCVEGCSA-N 0 0 307.350 0.926 10 0 DCAERN O=C(NCCNS(=O)(=O)C[C@H]1CCOC1)c1ccccc1 ZINC000171671157 396122316 /nfs/dbraw/zinc/12/23/16/396122316.db2.gz BSEARQVDRZVMQL-LBPRGKRZSA-N 0 0 312.391 0.372 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@H]3CO)C2)n(C)n1 ZINC000278405818 396123465 /nfs/dbraw/zinc/12/34/65/396123465.db2.gz PCJVDJXTGJYMKO-KBPBESRZSA-N 0 0 321.425 0.864 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000171870008 396126987 /nfs/dbraw/zinc/12/69/87/396126987.db2.gz BGUPAPWJOSCADA-LBPRGKRZSA-N 0 0 319.340 0.724 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n(C)n1 ZINC000278502283 396128137 /nfs/dbraw/zinc/12/81/37/396128137.db2.gz WYDXLVIOFVZJCD-NEPJUHHUSA-N 0 0 305.382 0.092 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)CCc2ccccc2O)CCO1 ZINC000172134125 396128581 /nfs/dbraw/zinc/12/85/81/396128581.db2.gz QRCRYPHJMFDBJJ-AWEZNQCLSA-N 0 0 306.362 0.688 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CCO1 ZINC000172278094 396130115 /nfs/dbraw/zinc/13/01/15/396130115.db2.gz SVROYHRWZHFFDQ-CQSZACIVSA-N 0 0 306.366 0.437 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000172352598 396131305 /nfs/dbraw/zinc/13/13/05/396131305.db2.gz LAUUJJWZCMRVTH-TZMCWYRMSA-N 0 0 324.425 0.160 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)CCNS(C)(=O)=O ZINC000172960659 396133786 /nfs/dbraw/zinc/13/37/86/396133786.db2.gz RUFGRTBXBGGAAN-GFCCVEGCSA-N 0 0 314.407 0.647 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccn[nH]2)ncn1 ZINC000173426089 396135309 /nfs/dbraw/zinc/13/53/09/396135309.db2.gz FQHMEZNJKXIRFA-SNVBAGLBSA-N 0 0 301.354 0.640 10 0 DCAERN O=C(CCCNC(=O)N1CC[C@@H](N2CCOCC2)C1)NC1CC1 ZINC000173786757 396136364 /nfs/dbraw/zinc/13/63/64/396136364.db2.gz SRWPWGGPAUYWMM-CQSZACIVSA-N 0 0 324.425 0.161 10 0 DCAERN CCc1nnc2ccc(N3CC[C@@H](N4CCOCC4)C3)nn21 ZINC000173976812 396137231 /nfs/dbraw/zinc/13/72/31/396137231.db2.gz JMJTWUHWBMLNBM-GFCCVEGCSA-N 0 0 302.382 0.598 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000162370175 396080258 /nfs/dbraw/zinc/08/02/58/396080258.db2.gz XHMGPPKDFDHEHX-CYBMUJFWSA-N 0 0 304.394 0.727 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000162412208 396081268 /nfs/dbraw/zinc/08/12/68/396081268.db2.gz CIYOOPYQWTVMDT-OCCSQVGLSA-N 0 0 309.410 0.224 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1nnnn1-c1ccccc1 ZINC000263229055 396207653 /nfs/dbraw/zinc/20/76/53/396207653.db2.gz NEJCXPFWILQEFZ-KOLCDFICSA-N 0 0 322.319 0.837 10 0 DCAERN COc1ccc(N)c(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000262471275 396144194 /nfs/dbraw/zinc/14/41/94/396144194.db2.gz IYJTVGWECPQFSL-UHFFFAOYSA-N 0 0 306.322 0.546 10 0 DCAERN COC(=O)c1cc(F)ccc1CN1CCN2C(=O)NC[C@H]2C1 ZINC000175907116 396145411 /nfs/dbraw/zinc/14/54/11/396145411.db2.gz JMAGQZKNNWOTNF-LBPRGKRZSA-N 0 0 307.325 0.822 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000175974288 396146854 /nfs/dbraw/zinc/14/68/54/396146854.db2.gz KNABPYPUXWSMSO-UHFFFAOYSA-N 0 0 305.382 0.709 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)CNC(=O)c1ccccn1 ZINC000176316981 396153628 /nfs/dbraw/zinc/15/36/28/396153628.db2.gz NQXRNHJOSFMHME-CYBMUJFWSA-N 0 0 307.394 0.972 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000176290351 396154067 /nfs/dbraw/zinc/15/40/67/396154067.db2.gz JBXMEHOSSYALMC-QWHCGFSZSA-N 0 0 305.382 0.596 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176550058 396156382 /nfs/dbraw/zinc/15/63/82/396156382.db2.gz DJWZMSQPRJROEC-GFCCVEGCSA-N 0 0 322.340 0.237 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074196920 396160007 /nfs/dbraw/zinc/16/00/07/396160007.db2.gz QGMCUVQGBAMVFH-XPKDYRNWSA-N 0 0 305.378 0.878 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cc2c(cc1N)OCO2 ZINC000262600568 396160313 /nfs/dbraw/zinc/16/03/13/396160313.db2.gz OQMXHFTWPJBEQA-UHFFFAOYSA-N 0 0 320.305 0.266 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCCCCC1 ZINC000074316233 396163372 /nfs/dbraw/zinc/16/33/72/396163372.db2.gz IXFGBIMTWVESNH-GFCCVEGCSA-N 0 0 303.428 0.142 10 0 DCAERN CC(C)(CCO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178830162 396210662 /nfs/dbraw/zinc/21/06/62/396210662.db2.gz DTEZANWROYPGFX-UHFFFAOYSA-N 0 0 300.380 0.472 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177296879 396170925 /nfs/dbraw/zinc/17/09/25/396170925.db2.gz RTHQJGGIQUUNSS-ZFWWWQNUSA-N 0 0 304.394 0.944 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177343829 396172703 /nfs/dbraw/zinc/17/27/03/396172703.db2.gz OYXXAXHZOYHAHI-WDEREUQCSA-N 0 0 308.386 0.717 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000177400697 396174398 /nfs/dbraw/zinc/17/43/98/396174398.db2.gz RGAULFANEQEZGW-SECBINFHSA-N 0 0 303.355 0.615 10 0 DCAERN CC(C)c1noc(CCc2nc([C@H]3C[NH2+]CCN3C)no2)n1 ZINC000263275998 396211073 /nfs/dbraw/zinc/21/10/73/396211073.db2.gz SWJBGBFRELRWKA-SNVBAGLBSA-N 0 0 306.370 0.937 10 0 DCAERN CC[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000075259600 396178682 /nfs/dbraw/zinc/17/86/82/396178682.db2.gz PRMDGVCZZSYKTE-BLLLJJGKSA-N 0 0 307.394 0.516 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000177812046 396184597 /nfs/dbraw/zinc/18/45/97/396184597.db2.gz XWLKPWGVLORMNZ-NEPJUHHUSA-N 0 0 316.361 0.944 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCC(C)(C)OC)CCO2)[nH]1 ZINC000178164691 396190405 /nfs/dbraw/zinc/19/04/05/396190405.db2.gz CNVZYDMKAOUPGI-JTQLQIEISA-N 0 0 311.386 0.875 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@H]1CCCOC1 ZINC000178243264 396192267 /nfs/dbraw/zinc/19/22/67/396192267.db2.gz YRDJTLOLUQKSCJ-LBPRGKRZSA-N 0 0 315.333 0.501 10 0 DCAERN O=C(CCNC(=O)[C@@H]1CC(F)(F)CN1)NCc1cccnc1 ZINC000262981279 396195395 /nfs/dbraw/zinc/19/53/95/396195395.db2.gz MUKSNIIHYPOWAU-NSHDSACASA-N 0 0 312.320 0.201 10 0 DCAERN CN1C(=O)COc2ccc(NC(=O)[C@@H]3CC(F)(F)CN3)cc21 ZINC000262975810 396195448 /nfs/dbraw/zinc/19/54/48/396195448.db2.gz MGVLDXTVZGCOJW-VIFPVBQESA-N 0 0 311.288 0.978 10 0 DCAERN Cc1cccc(C(=O)NCCNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263000872 396197079 /nfs/dbraw/zinc/19/70/79/396197079.db2.gz OTNXOASRUZAQLD-GFCCVEGCSA-N 0 0 311.332 0.838 10 0 DCAERN O=C(C1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1)N1CCCC1 ZINC000263010704 396198040 /nfs/dbraw/zinc/19/80/40/396198040.db2.gz PREKQGLAMGJXCJ-GFCCVEGCSA-N 0 0 315.364 0.845 10 0 DCAERN CC(=O)N(C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000076247931 396199824 /nfs/dbraw/zinc/19/98/24/396199824.db2.gz WBLKTADSIQBUNS-STQMWFEESA-N 0 0 300.424 0.978 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000076297248 396200444 /nfs/dbraw/zinc/20/04/44/396200444.db2.gz HTULDRMXDUMAFK-HOCLYGCPSA-N 0 0 319.405 0.701 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)C(=O)N1CCCC[C@@H]1C ZINC000263110268 396201911 /nfs/dbraw/zinc/20/19/11/396201911.db2.gz AFBPQKHXLJTLBO-GARJFASQSA-N 0 0 303.353 0.889 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263171294 396204543 /nfs/dbraw/zinc/20/45/43/396204543.db2.gz FTBRQQIMXYZVTL-RYUDHWBXSA-N 0 0 309.316 0.905 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCCC[C@H]2c2nc[nH]n2)cn1C ZINC000180932032 396235593 /nfs/dbraw/zinc/23/55/93/396235593.db2.gz YTAKDWIQJAEFLD-JTQLQIEISA-N 0 0 310.383 0.763 10 0 DCAERN C[C@@H](O)C1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181869284 396242836 /nfs/dbraw/zinc/24/28/36/396242836.db2.gz DUHAOHOBLQGHSK-LLVKDONJSA-N 0 0 300.399 0.537 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc2nnn(C)c2c1 ZINC000184038658 396281577 /nfs/dbraw/zinc/28/15/77/396281577.db2.gz LPAQNUXZBPWEPG-SNVBAGLBSA-N 0 0 302.256 0.964 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c12 ZINC000282338454 396281833 /nfs/dbraw/zinc/28/18/33/396281833.db2.gz KWFPSMTWCQSDOT-VIFPVBQESA-N 0 0 301.350 0.877 10 0 DCAERN CCOCCN1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182463742 396250822 /nfs/dbraw/zinc/25/08/22/396250822.db2.gz WLDKXYWGAGKEQC-UHFFFAOYSA-N 0 0 310.402 0.032 10 0 DCAERN CCc1noc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000078657011 396250840 /nfs/dbraw/zinc/25/08/40/396250840.db2.gz WSQANDBGBDBUQO-LBPRGKRZSA-N 0 0 308.382 0.703 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000281959907 396252370 /nfs/dbraw/zinc/25/23/70/396252370.db2.gz VBGYXXSTABVFML-GXFFZTMASA-N 0 0 305.382 0.543 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1nccn(C)c1=O ZINC000182724085 396253453 /nfs/dbraw/zinc/25/34/53/396253453.db2.gz XTBJUWSSBYEPLU-SECBINFHSA-N 0 0 318.381 0.883 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000183015474 396259149 /nfs/dbraw/zinc/25/91/49/396259149.db2.gz WHYRDEFBAUUSRT-UHFFFAOYSA-N 0 0 311.407 0.899 10 0 DCAERN CN1CCCc2cc(NC(=O)N[C@H]3CCC(=O)NC3=O)ccc21 ZINC000183040987 396259279 /nfs/dbraw/zinc/25/92/79/396259279.db2.gz QJCRXOPABLNLMK-LBPRGKRZSA-N 0 0 316.361 0.996 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2nc(-c3cccc(C)c3)no2)CCO1 ZINC000184059600 396282381 /nfs/dbraw/zinc/28/23/81/396282381.db2.gz PJUNCEIAJSNKAD-CYBMUJFWSA-N 0 0 316.361 0.992 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000183078449 396260509 /nfs/dbraw/zinc/26/05/09/396260509.db2.gz UQWOSSUEJBGEBP-YPMHNXCESA-N 0 0 321.377 0.300 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1=O ZINC000183109894 396261317 /nfs/dbraw/zinc/26/13/17/396261317.db2.gz JHJSTQBDWPEPHC-ZDUSSCGKSA-N 0 0 318.377 0.021 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCS1 ZINC000264194132 396261514 /nfs/dbraw/zinc/26/15/14/396261514.db2.gz GJXWAEDANBTSLW-QMMMGPOBSA-N 0 0 320.374 0.612 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000183108010 396261571 /nfs/dbraw/zinc/26/15/71/396261571.db2.gz YWSVTGGNMXRWNH-NWDGAFQWSA-N 0 0 321.377 0.300 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057661 396282619 /nfs/dbraw/zinc/28/26/19/396282619.db2.gz JHFSMWQCFVKIJO-ZFWWWQNUSA-N 0 0 308.378 0.182 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000080600432 396282637 /nfs/dbraw/zinc/28/26/37/396282637.db2.gz UYHAJUXQZHIDHW-NSHDSACASA-N 0 0 305.382 0.721 10 0 DCAERN Cc1noc(C2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C)CC2)n1 ZINC000282172429 396268696 /nfs/dbraw/zinc/26/86/96/396268696.db2.gz JSOLMLTVGPWVFU-BXKDBHETSA-N 0 0 321.381 0.934 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000079833689 396270838 /nfs/dbraw/zinc/27/08/38/396270838.db2.gz OAJXYCGQOQXRKQ-UHFFFAOYSA-N 0 0 314.345 0.708 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@H]1COc2ccccc2C1 ZINC000183561185 396271156 /nfs/dbraw/zinc/27/11/56/396271156.db2.gz ZKFTWNZQCCDFPV-CYBMUJFWSA-N 0 0 301.350 0.971 10 0 DCAERN Cc1nc(CN(C)C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000183715773 396274021 /nfs/dbraw/zinc/27/40/21/396274021.db2.gz STOXGHIGVXNCNI-NSHDSACASA-N 0 0 302.400 0.481 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000080047371 396274415 /nfs/dbraw/zinc/27/44/15/396274415.db2.gz NWXXYALYDRRGOM-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H](n2cncn2)C1)NCC1CC1 ZINC000183793199 396275525 /nfs/dbraw/zinc/27/55/25/396275525.db2.gz SJVOPLCNBZTBPU-LBPRGKRZSA-N 0 0 306.370 0.151 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183838938 396275955 /nfs/dbraw/zinc/27/59/55/396275955.db2.gz UUTFQFALTSIJIB-LBPRGKRZSA-N 0 0 305.382 0.438 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1nccn(C)c1=O ZINC000183884730 396276540 /nfs/dbraw/zinc/27/65/40/396276540.db2.gz BYPBXWQMFXGAFB-UHFFFAOYSA-N 0 0 318.381 0.885 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NC1(c2cccc(Cl)c2)CC1 ZINC000077164214 396213772 /nfs/dbraw/zinc/21/37/72/396213772.db2.gz UJKMAIHRJIZVSE-UHFFFAOYSA-N 0 0 307.737 0.997 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000178976129 396216940 /nfs/dbraw/zinc/21/69/40/396216940.db2.gz PRIXNXNRBZQMHU-OAHLLOKOSA-N 0 0 322.365 0.745 10 0 DCAERN O=C(Cc1ccc(N[C@@H]2CCNC2=O)cc1)N1CCOCC1 ZINC000179062333 396220231 /nfs/dbraw/zinc/22/02/31/396220231.db2.gz GHWOGSSKONWJST-CQSZACIVSA-N 0 0 303.362 0.388 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000263701572 396225013 /nfs/dbraw/zinc/22/50/13/396225013.db2.gz OYAMJEGFNUGGEL-TZMCWYRMSA-N 0 0 302.334 0.878 10 0 DCAERN COC(=O)c1ccc(CNC(=O)NCc2ncn(C)n2)cc1 ZINC000179374948 396225981 /nfs/dbraw/zinc/22/59/81/396225981.db2.gz FXGGBVMKLANZBK-UHFFFAOYSA-N 0 0 303.322 0.601 10 0 DCAERN COC(=O)[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCO1 ZINC000184996402 396313401 /nfs/dbraw/zinc/31/34/01/396313401.db2.gz UPGFLNGDYTVQQF-CYBMUJFWSA-N 0 0 306.322 0.449 10 0 DCAERN CN(Cc1ccc[nH]1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000083198263 396313640 /nfs/dbraw/zinc/31/36/40/396313640.db2.gz GPTNYAKRQALFBC-GFCCVEGCSA-N 0 0 314.411 0.580 10 0 DCAERN CCc1cccc(OC[C@@H](O)CN2CC(NC(=O)COC)C2)c1 ZINC000185087343 396316890 /nfs/dbraw/zinc/31/68/90/396316890.db2.gz LBQQHCYVXYHMGQ-HNNXBMFYSA-N 0 0 322.405 0.436 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccccc2C)C1 ZINC000185092729 396317322 /nfs/dbraw/zinc/31/73/22/396317322.db2.gz ZBEILNOQYAAEHB-CQSZACIVSA-N 0 0 308.378 0.182 10 0 DCAERN CCCCCNC(=O)CN1CCN(c2cc(OC)ncn2)CC1 ZINC000184078096 396284695 /nfs/dbraw/zinc/28/46/95/396284695.db2.gz YWRKKNIJFAVTCC-UHFFFAOYSA-N 0 0 321.425 0.914 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)CC(=O)N1C ZINC000282409430 396288764 /nfs/dbraw/zinc/28/87/64/396288764.db2.gz PNWHGHORLIIRMA-VIFPVBQESA-N 0 0 303.318 0.434 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(Cl)cc1 ZINC000185156363 396319632 /nfs/dbraw/zinc/31/96/32/396319632.db2.gz XSTOWHBULHRDRB-KGLIPLIRSA-N 0 0 312.797 0.426 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCN1CCCCCC1=O ZINC000184335668 396290914 /nfs/dbraw/zinc/29/09/14/396290914.db2.gz NJKSRMPOIFJJDX-CHWSQXEVSA-N 0 0 318.439 0.876 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N[C@@H]3CCSC3)CCC(=O)N2C)cn1 ZINC000081057752 396292140 /nfs/dbraw/zinc/29/21/40/396292140.db2.gz XUSUROQLSSMWQN-MBNYWOFBSA-N 0 0 322.434 0.951 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NC[C@](C)(O)CSC ZINC000184429757 396294965 /nfs/dbraw/zinc/29/49/65/396294965.db2.gz ZJKSAPHLJIXGRH-JSGCOSHPSA-N 0 0 304.456 0.718 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N(CCO)Cc1cccnc1 ZINC000184432836 396295169 /nfs/dbraw/zinc/29/51/69/396295169.db2.gz ANTWAYQODDEDPK-DGCLKSJQSA-N 0 0 300.380 0.383 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184443253 396296357 /nfs/dbraw/zinc/29/63/57/396296357.db2.gz HTBOUCBHJBXPJJ-NHYWBVRUSA-N 0 0 308.382 0.990 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474529 396297003 /nfs/dbraw/zinc/29/70/03/396297003.db2.gz JMWKNIQXGXUMSW-GXTWGEPZSA-N 0 0 302.440 0.472 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCCN(c2ccccn2)CC1 ZINC000184512081 396297942 /nfs/dbraw/zinc/29/79/42/396297942.db2.gz LMRLIIIDIQQUNJ-UHFFFAOYSA-N 0 0 315.333 0.747 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184659517 396301146 /nfs/dbraw/zinc/30/11/46/396301146.db2.gz AWFQQJXHPRAFKV-NSHDSACASA-N 0 0 308.403 0.998 10 0 DCAERN O=C1[C@H](N2C[C@H](O)C[C@@H]2CO)CCN1c1cccc(Cl)c1 ZINC000184715850 396302641 /nfs/dbraw/zinc/30/26/41/396302641.db2.gz OFSLEPSQYIPAFL-MGPQQGTHSA-N 0 0 310.781 0.873 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000184741538 396304581 /nfs/dbraw/zinc/30/45/81/396304581.db2.gz IOZUABVRVZGRKD-LBPRGKRZSA-N 0 0 301.412 0.966 10 0 DCAERN CC(C)C[C@H](C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000184754328 396304643 /nfs/dbraw/zinc/30/46/43/396304643.db2.gz LYGWNRMSJOHSPJ-NWDGAFQWSA-N 0 0 318.439 0.430 10 0 DCAERN Cc1ccc(CN(C(=O)CN2C[C@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185175964 396320587 /nfs/dbraw/zinc/32/05/87/396320587.db2.gz VSGGEVGHAWWJAU-IAGOWNOFSA-N 0 0 318.417 0.914 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000265362297 396309711 /nfs/dbraw/zinc/30/97/11/396309711.db2.gz XNAAMILLQNAVHM-CQSZACIVSA-N 0 0 324.402 0.582 10 0 DCAERN CNC(=O)[C@@H](CO)NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000185183575 396321211 /nfs/dbraw/zinc/32/12/11/396321211.db2.gz SROYZIJADAJDMI-GFCCVEGCSA-N 0 0 300.380 0.195 10 0 DCAERN COC(=O)C1(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000185184950 396321212 /nfs/dbraw/zinc/32/12/12/396321212.db2.gz BTINIEXTJGYOTM-NSHDSACASA-N 0 0 304.350 0.515 10 0 DCAERN Cc1ccc(S(=O)(=O)CCCN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185187633 396321223 /nfs/dbraw/zinc/32/12/23/396321223.db2.gz VODRVXSSBGVUNI-ZIAGYGMSSA-N 0 0 313.419 0.586 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCS1(=O)=O ZINC000265678223 396336264 /nfs/dbraw/zinc/33/62/64/396336264.db2.gz IRYQBGARLNHNPA-JTQLQIEISA-N 0 0 311.359 0.717 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186085514 396340587 /nfs/dbraw/zinc/34/05/87/396340587.db2.gz YPDLHAYKBHHDLN-XHDPSFHLSA-N 0 0 308.334 0.416 10 0 DCAERN CCC[C@@H](O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185806161 396335376 /nfs/dbraw/zinc/33/53/76/396335376.db2.gz ASIDZARPIYPPJS-GFCCVEGCSA-N 0 0 323.397 0.999 10 0 DCAERN CNC(=O)CC(=O)N[C@H](CCC(=O)OC)Cc1ccccc1 ZINC000185847532 396335817 /nfs/dbraw/zinc/33/58/17/396335817.db2.gz IDADTBWMHFHRFK-CYBMUJFWSA-N 0 0 306.362 0.803 10 0 DCAERN NC(=O)c1ccc(N2CCN(S(=O)(=O)CC3CC3)CC2)nc1 ZINC000267225839 396354940 /nfs/dbraw/zinc/35/49/40/396354940.db2.gz QUXBIIUBRXMYPE-UHFFFAOYSA-N 0 0 324.406 0.042 10 0 DCAERN O=C1N[C@H](c2cnn(Cc3ccc(F)cc3)c2)N2CCOC[C@H]12 ZINC000187066521 396362207 /nfs/dbraw/zinc/36/22/07/396362207.db2.gz KLRRTZZMMNRDJS-CABCVRRESA-N 0 0 316.336 0.900 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@H](O)C1(C)C)CC2 ZINC000187114785 396363925 /nfs/dbraw/zinc/36/39/25/396363925.db2.gz SYIRGTAZFFCWLL-MXWKQRLJSA-N 0 0 307.398 0.614 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000187187581 396365063 /nfs/dbraw/zinc/36/50/63/396365063.db2.gz HAYKVEVMKAKDPL-IUCAKERBSA-N 0 0 321.303 0.548 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)[nH]n1 ZINC000187624632 396372353 /nfs/dbraw/zinc/37/23/53/396372353.db2.gz IDXFWJQMKARBCX-VIFPVBQESA-N 0 0 305.382 0.569 10 0 DCAERN CO[C@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC000187715584 396372890 /nfs/dbraw/zinc/37/28/90/396372890.db2.gz LZRXLGHUWUBDNN-NEPJUHHUSA-N 0 0 304.350 0.379 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186379305 396348472 /nfs/dbraw/zinc/34/84/72/396348472.db2.gz HYCOHWYNKKJPID-UHFFFAOYSA-N 0 0 320.393 0.225 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000188450395 396382414 /nfs/dbraw/zinc/38/24/14/396382414.db2.gz AESIRFKSTGAIPX-ZIAGYGMSSA-N 0 0 310.781 0.980 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000286273750 396384590 /nfs/dbraw/zinc/38/45/90/396384590.db2.gz LXGYJGVUOVJNEN-MNOVXSKESA-N 0 0 303.318 0.653 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188682476 396384898 /nfs/dbraw/zinc/38/48/98/396384898.db2.gz UVFWOAZPJHYXDW-IHRRRGAJSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188798931 396386821 /nfs/dbraw/zinc/38/68/21/396386821.db2.gz HLLMHRMXKLEYMR-LBPRGKRZSA-N 0 0 324.425 0.017 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000188883115 396387863 /nfs/dbraw/zinc/38/78/63/396387863.db2.gz MPNLVJBJGAHLER-NSHDSACASA-N 0 0 313.361 0.833 10 0 DCAERN COCCN1CCCN(C(=O)NCc2c(C)noc2C)CC1=O ZINC000188985299 396389269 /nfs/dbraw/zinc/38/92/69/396389269.db2.gz QIRWMQMVEKSYDN-UHFFFAOYSA-N 0 0 324.381 0.682 10 0 DCAERN CCc1cnccc1C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189307092 396393296 /nfs/dbraw/zinc/39/32/96/396393296.db2.gz YFROXFRYPKFVBQ-UHFFFAOYSA-N 0 0 305.378 0.965 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@H]3OCCC[C@H]13)c2O ZINC000189330295 396394165 /nfs/dbraw/zinc/39/41/65/396394165.db2.gz YMVNOKKARJDBKR-GGZOMVNGSA-N 0 0 302.334 0.971 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cc(F)cc4nc[nH]c43)CC[C@@H]21 ZINC000286435001 396395259 /nfs/dbraw/zinc/39/52/59/396395259.db2.gz SYDKVDQQUIAHIM-NEPJUHHUSA-N 0 0 317.324 0.940 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000189649193 396396807 /nfs/dbraw/zinc/39/68/07/396396807.db2.gz VOTXENRGXLFQGJ-CQSZACIVSA-N 0 0 318.421 0.908 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1=O ZINC000189750245 396398307 /nfs/dbraw/zinc/39/83/07/396398307.db2.gz RMUDKQFSDGVWGA-GFCCVEGCSA-N 0 0 319.361 0.319 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCN(C)C(=O)C1 ZINC000189784868 396399525 /nfs/dbraw/zinc/39/95/25/396399525.db2.gz NVBAVUZZXPGOIX-NSHDSACASA-N 0 0 306.410 0.906 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1=O ZINC000189806366 396399583 /nfs/dbraw/zinc/39/95/83/396399583.db2.gz AADRSILZAMCGBO-UHFFFAOYSA-N 0 0 321.352 0.175 10 0 DCAERN CCN1CN(C(=O)N[C@H](C)c2nnc3n2CCCC3)CC1=O ZINC000190028631 396401510 /nfs/dbraw/zinc/40/15/10/396401510.db2.gz LOJUFKDDMYQUEX-SNVBAGLBSA-N 0 0 306.370 0.507 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000190232994 396403585 /nfs/dbraw/zinc/40/35/85/396403585.db2.gz GUSHWQZBSXYVGR-KBPBESRZSA-N 0 0 305.382 0.897 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190237501 396403690 /nfs/dbraw/zinc/40/36/90/396403690.db2.gz YMSITODMJPMKKK-NWDGAFQWSA-N 0 0 323.397 0.984 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(C2CC2)cc1 ZINC000190276798 396404131 /nfs/dbraw/zinc/40/41/31/396404131.db2.gz KWFLNTBRHDRIRQ-UHFFFAOYSA-N 0 0 303.362 0.385 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)N(C)CC)CC2)[nH]1 ZINC000190485140 396406630 /nfs/dbraw/zinc/40/66/30/396406630.db2.gz WDNQBXUMNIIJHM-UHFFFAOYSA-N 0 0 301.416 0.743 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190525228 396407073 /nfs/dbraw/zinc/40/70/73/396407073.db2.gz FRNFAWOJVYIOGO-CYBMUJFWSA-N 0 0 323.397 0.512 10 0 DCAERN OCc1cc2ccccc2nc1NC[C@@H](O)CN1CCOCC1 ZINC000269353441 396409334 /nfs/dbraw/zinc/40/93/34/396409334.db2.gz KHRWRKIDHUSLLN-OAHLLOKOSA-N 0 0 317.389 0.832 10 0 DCAERN CCc1nc(C2CCN(CCS(=O)(=O)CC)CC2)n[nH]1 ZINC000190686193 396410527 /nfs/dbraw/zinc/41/05/27/396410527.db2.gz KOHDNBJVMSFXDF-UHFFFAOYSA-N 0 0 300.428 0.981 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2c(C)n[nH]c2C)CC1=O ZINC000190781408 396411322 /nfs/dbraw/zinc/41/13/22/396411322.db2.gz VCIZANVKWKWFRX-UHFFFAOYSA-N 0 0 323.397 0.146 10 0 DCAERN CCn1cc([C@@H]2CN([C@@H](C)CN3CCOCC3)CCO2)cn1 ZINC000190820319 396412034 /nfs/dbraw/zinc/41/20/34/396412034.db2.gz QUVKJTLENPMUMG-HOCLYGCPSA-N 0 0 308.426 0.997 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CCC(n2cncn2)CC1 ZINC000190910148 396412514 /nfs/dbraw/zinc/41/25/14/396412514.db2.gz KGSRCDXJIAKMSQ-UHFFFAOYSA-N 0 0 313.361 0.783 10 0 DCAERN C[C@@H]1CN(C(=O)NC2CCN(c3ncccn3)CC2)C[C@H]1CO ZINC000190882002 396412757 /nfs/dbraw/zinc/41/27/57/396412757.db2.gz AEDFGYQQPFQXRA-OLZOCXBDSA-N 0 0 319.409 0.715 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1CCN2CCC1CC2 ZINC000191077958 396415032 /nfs/dbraw/zinc/41/50/32/396415032.db2.gz MLOIETHSJMVDNV-UHFFFAOYSA-N 0 0 324.402 0.927 10 0 DCAERN CC(=O)Nc1ccc(NC(=O)CN2CCCN(C)C(=O)C2)cc1 ZINC000191110995 396415779 /nfs/dbraw/zinc/41/57/79/396415779.db2.gz QXAUJMZTRLHTJP-UHFFFAOYSA-N 0 0 318.377 0.748 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191112502 396416020 /nfs/dbraw/zinc/41/60/20/396416020.db2.gz YAGPUKUMHMMERL-UHFFFAOYSA-N 0 0 319.405 0.654 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000191402993 396418902 /nfs/dbraw/zinc/41/89/02/396418902.db2.gz SDVDWNRSJDFYOO-WVDJIFEKSA-N 0 0 303.428 0.454 10 0 DCAERN CCN1CN(CCCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000191549569 396421241 /nfs/dbraw/zinc/42/12/41/396421241.db2.gz XMQXDXCWQOICCN-UHFFFAOYSA-N 0 0 301.346 0.794 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000191575442 396422071 /nfs/dbraw/zinc/42/20/71/396422071.db2.gz NALFZMDOXCWRQC-NWDGAFQWSA-N 0 0 308.378 0.929 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000191916929 396426919 /nfs/dbraw/zinc/42/69/19/396426919.db2.gz UBLFMTOOFJKFTE-CHWSQXEVSA-N 0 0 322.361 0.457 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1ncsc1Br ZINC000287924307 396431278 /nfs/dbraw/zinc/43/12/78/396431278.db2.gz IZQJECWRTWUYLC-UHFFFAOYSA-N 0 0 313.198 0.680 10 0 DCAERN CC[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1ccc(OC)cc1 ZINC000192571837 396432846 /nfs/dbraw/zinc/43/28/46/396432846.db2.gz MNXSGDDOJDSIFK-UONOGXRCSA-N 0 0 306.362 0.902 10 0 DCAERN CN1CC[C@H](NS(=O)(=O)c2cccc3c2OC(C)(C)C3)C1=O ZINC000192633184 396433634 /nfs/dbraw/zinc/43/36/34/396433634.db2.gz JQBLRPOGXSIQOZ-NSHDSACASA-N 0 0 324.402 0.909 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000192923783 396441080 /nfs/dbraw/zinc/44/10/80/396441080.db2.gz NHEKDCCNXOASCM-ZJUUUORDSA-N 0 0 303.428 0.922 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187986958 396376749 /nfs/dbraw/zinc/37/67/49/396376749.db2.gz CDJQPKNEKJHZCK-IJLUTSLNSA-N 0 0 304.412 0.630 10 0 DCAERN CCN1CCCN(C(=O)c2cnc3c(cnn3C)c2O)CC1=O ZINC000188091724 396379271 /nfs/dbraw/zinc/37/92/71/396379271.db2.gz YQGOWQRKAYZAOI-UHFFFAOYSA-N 0 0 317.349 0.368 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CCCO1 ZINC000291509035 396495206 /nfs/dbraw/zinc/49/52/06/396495206.db2.gz OLCZFXUDCKQULT-JTQLQIEISA-N 0 0 306.366 0.873 10 0 DCAERN CCC(=O)N1CCCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000372213729 396497621 /nfs/dbraw/zinc/49/76/21/396497621.db2.gz ZMCNHHAIRCIXAQ-GFCCVEGCSA-N 0 0 303.428 0.660 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)NCc1ccn(C)n1)OCO2 ZINC000580927368 396511191 /nfs/dbraw/zinc/51/11/91/396511191.db2.gz MFBZCABEZGSELY-UHFFFAOYSA-N 0 0 309.347 0.936 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283740 396448182 /nfs/dbraw/zinc/44/81/82/396448182.db2.gz XSBNGPUGYQDUFP-JTQLQIEISA-N 0 0 312.757 0.120 10 0 DCAERN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCO[C@H](CO)C1 ZINC000270169979 396462402 /nfs/dbraw/zinc/46/24/02/396462402.db2.gz KYYVGSVVQBJEMG-JTQLQIEISA-N 0 0 309.746 0.861 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000371600334 396472099 /nfs/dbraw/zinc/47/20/99/396472099.db2.gz YIVNFAAWPBDKPV-JTQLQIEISA-N 0 0 312.329 0.810 10 0 DCAERN O=C(c1cccnc1N1CCCC1)N1CCN2CCOC[C@H]2C1 ZINC000371795282 396476781 /nfs/dbraw/zinc/47/67/81/396476781.db2.gz KYZUUQVDTSBFEF-CQSZACIVSA-N 0 0 316.405 0.838 10 0 DCAERN O=C(Nc1cccnc1Cl)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371828012 396477973 /nfs/dbraw/zinc/47/79/73/396477973.db2.gz CGSWCFGLNPWAMC-JTQLQIEISA-N 0 0 324.768 0.217 10 0 DCAERN CC(C)(C)n1cnc(-c2nc([C@@H]3CN4CCN3CC4)no2)n1 ZINC000291080406 396478786 /nfs/dbraw/zinc/47/87/86/396478786.db2.gz NJTFIYYVGPJAEJ-JTQLQIEISA-N 0 0 303.370 0.755 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000531013531 396587587 /nfs/dbraw/zinc/58/75/87/396587587.db2.gz BBQIVOZZYQJOKQ-FCHSOHFDSA-N 0 0 308.382 0.662 10 0 DCAERN O=S(=O)(c1ccc2c(c1)OCO2)N1C[C@@H](F)C[C@@H]1CO ZINC000372428672 396516977 /nfs/dbraw/zinc/51/69/77/396516977.db2.gz VHDQTEKAZIGIOY-DTWKUNHWSA-N 0 0 303.311 0.509 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C3CC3)C2)cs1 ZINC000372480827 396521079 /nfs/dbraw/zinc/52/10/79/396521079.db2.gz DLJCJKAUSMRBES-JTQLQIEISA-N 0 0 316.404 0.647 10 0 DCAERN C[C@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)C1CCOCC1 ZINC000520638845 396529661 /nfs/dbraw/zinc/52/96/61/396529661.db2.gz RYILJEVVGPZMMO-LBPRGKRZSA-N 0 0 310.394 0.557 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)s1 ZINC000292414204 396549227 /nfs/dbraw/zinc/54/92/27/396549227.db2.gz JUKVMMKYNQTESQ-GFCCVEGCSA-N 0 0 318.420 0.366 10 0 DCAERN CNC(=O)[C@@H]1CN(c2ncnc3c2ncn3C2CC2)CCO1 ZINC000292608677 396559433 /nfs/dbraw/zinc/55/94/33/396559433.db2.gz CNKNWSGWPCUWDU-JTQLQIEISA-N 0 0 302.338 0.112 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000530414328 396577255 /nfs/dbraw/zinc/57/72/55/396577255.db2.gz XYBZGTABYBXONY-JSGCOSHPSA-N 0 0 316.361 0.868 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373246265 396578450 /nfs/dbraw/zinc/57/84/50/396578450.db2.gz UMMUBHMTGUALQJ-AWEZNQCLSA-N 0 0 306.410 0.513 10 0 DCAERN CC1(C)c2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cc2NC1=O ZINC000292971120 396580146 /nfs/dbraw/zinc/58/01/46/396580146.db2.gz KGYVDBIXPYADLR-GFCCVEGCSA-N 0 0 317.345 0.243 10 0 DCAERN Cc1cc(CCNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)on1 ZINC000561953760 396648653 /nfs/dbraw/zinc/64/86/53/396648653.db2.gz JUNDKIBFXGMSKD-LBPRGKRZSA-N 0 0 321.381 0.771 10 0 DCAERN O=C(CC[C@@H]1CCCO1)NCCCN1CCCS1(=O)=O ZINC000585735404 396651125 /nfs/dbraw/zinc/65/11/25/396651125.db2.gz ZIQOWOAVEFCNEN-LBPRGKRZSA-N 0 0 304.412 0.487 10 0 DCAERN CC(C)COCCC(=O)NCCCN1CCCS1(=O)=O ZINC000585735390 396651180 /nfs/dbraw/zinc/65/11/80/396651180.db2.gz ZDSAEUBDVROYHK-UHFFFAOYSA-N 0 0 306.428 0.591 10 0 DCAERN O=C(CCc1nccs1)NCCCN1CCCS1(=O)=O ZINC000585733767 396651336 /nfs/dbraw/zinc/65/13/36/396651336.db2.gz HGHFORJPLCWBRC-UHFFFAOYSA-N 0 0 317.436 0.618 10 0 DCAERN CC(=O)c1ncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)s1 ZINC000581948648 396596976 /nfs/dbraw/zinc/59/69/76/396596976.db2.gz VFWQBKFWQHGILV-QMMMGPOBSA-N 0 0 320.378 0.864 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCOC1(C)C ZINC000595392294 396601104 /nfs/dbraw/zinc/60/11/04/396601104.db2.gz LHCPMBKRJXKYFR-JTQLQIEISA-N 0 0 308.400 0.131 10 0 DCAERN CC1CCC(OCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 ZINC000373656015 396605095 /nfs/dbraw/zinc/60/50/95/396605095.db2.gz KYSAMSLNKBWUAH-PPUFBPAQSA-N 0 0 323.393 0.782 10 0 DCAERN CCNS(=O)(=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000373677794 396606146 /nfs/dbraw/zinc/60/61/46/396606146.db2.gz AQQBEGCVCJRMIQ-UHFFFAOYSA-N 0 0 308.367 0.010 10 0 DCAERN CC1(C)CN(c2cncc(OCCO)n2)C[C@@]2(CCOC2)O1 ZINC000373684610 396607073 /nfs/dbraw/zinc/60/70/73/396607073.db2.gz RYHWZYFXZSLNBW-OAHLLOKOSA-N 0 0 309.366 0.622 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000373756937 396611953 /nfs/dbraw/zinc/61/19/53/396611953.db2.gz IHCPHDFDRYWUIJ-RYUDHWBXSA-N 0 0 323.393 0.925 10 0 DCAERN CC(C)(C)OC(=O)N1CCC[C@](C[C@H](O)C[NH3+])(C(=O)[O-])C1 ZINC000584880885 396631430 /nfs/dbraw/zinc/63/14/30/396631430.db2.gz JTHFVRKGLLRPQH-IINYFYTJSA-N 0 0 302.371 0.798 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374116957 396640402 /nfs/dbraw/zinc/64/04/02/396640402.db2.gz BIVLPCFBJDQQOL-HJQYOEGKSA-N 0 0 311.407 0.033 10 0 DCAERN Cc1nc(NC(=O)NCCCN2CCCS2(=O)=O)oc1C ZINC000585821038 396661662 /nfs/dbraw/zinc/66/16/62/396661662.db2.gz QGHPJIZRRJEHIM-UHFFFAOYSA-N 0 0 316.383 0.839 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CN2C(=O)CN(C3CCC3)C2=O)O1 ZINC000562407030 396662255 /nfs/dbraw/zinc/66/22/55/396662255.db2.gz WIXXBAOTYIEHOL-NEPJUHHUSA-N 0 0 309.366 0.439 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N1CCCCCC1 ZINC000587125604 396671076 /nfs/dbraw/zinc/67/10/76/396671076.db2.gz YWMGZGSDZKUIHP-UHFFFAOYSA-N 0 0 303.428 0.998 10 0 DCAERN C[C@@H](O)CNc1cc(N2CCN(CC(F)F)CC2)ncn1 ZINC000294558089 396681523 /nfs/dbraw/zinc/68/15/23/396681523.db2.gz WYPOOLKICPDSTB-SNVBAGLBSA-N 0 0 301.341 0.656 10 0 DCAERN O=S(=O)(CCCF)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374737893 396683214 /nfs/dbraw/zinc/68/32/14/396683214.db2.gz QCOJDMCUZPXTAS-NEPJUHHUSA-N 0 0 309.403 0.833 10 0 DCAERN COC(=O)C1CCC(NC(=O)N2CC[C@H](CC(N)=O)C2)CC1 ZINC000588340858 396684780 /nfs/dbraw/zinc/68/47/80/396684780.db2.gz ZWXRNUWWRYPKTK-VOMCLLRMSA-N 0 0 311.382 0.625 10 0 DCAERN O=C(NCC1CC1)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374760200 396685705 /nfs/dbraw/zinc/68/57/05/396685705.db2.gz PGZZQNLMPXWTLS-STQMWFEESA-N 0 0 310.394 0.197 10 0 DCAERN O=C(CSCc1ccncc1)N1CCN2CCOC[C@@H]2C1 ZINC000374931240 396698917 /nfs/dbraw/zinc/69/89/17/396698917.db2.gz OBSCZVWKNMNKHY-AWEZNQCLSA-N 0 0 307.419 0.858 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)SCc2cnn(C)c2)CC1 ZINC000588923566 396699519 /nfs/dbraw/zinc/69/95/19/396699519.db2.gz VPEKATNWBHMEIM-NSHDSACASA-N 0 0 310.423 0.733 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1=O ZINC000374957036 396700705 /nfs/dbraw/zinc/70/07/05/396700705.db2.gz VNWOGIHELHYESD-UONOGXRCSA-N 0 0 324.421 0.899 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000374962941 396701571 /nfs/dbraw/zinc/70/15/71/396701571.db2.gz LXESCAOKTDJJRF-AWEZNQCLSA-N 0 0 320.389 0.789 10 0 DCAERN CCCc1noc(CCCC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000374961279 396701684 /nfs/dbraw/zinc/70/16/84/396701684.db2.gz IAJNVNBGQLXDKX-CYBMUJFWSA-N 0 0 322.409 0.888 10 0 DCAERN O=C(c1cccc(-n2cccn2)n1)N1CCN2CCOC[C@@H]2C1 ZINC000374969861 396701856 /nfs/dbraw/zinc/70/18/56/396701856.db2.gz MKIPKSLCRUUDAU-ZDUSSCGKSA-N 0 0 313.361 0.424 10 0 DCAERN CCNC(=O)CN1CCN(c2nc(CC(C)C)ns2)CC1 ZINC000302245887 396718419 /nfs/dbraw/zinc/71/84/19/396718419.db2.gz SOEJWZZTYLPZNQ-UHFFFAOYSA-N 0 0 311.455 0.995 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2cc(F)cc3n[nH]nc32)C1 ZINC000563272865 396719361 /nfs/dbraw/zinc/71/93/61/396719361.db2.gz HLNXCOFBAAJVLN-VIFPVBQESA-N 0 0 305.313 0.695 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000375228606 396720387 /nfs/dbraw/zinc/72/03/87/396720387.db2.gz JUOYCYAVPFGLML-CYBMUJFWSA-N 0 0 304.412 0.209 10 0 DCAERN CCOC(=O)c1cnc(N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000596134331 396722966 /nfs/dbraw/zinc/72/29/66/396722966.db2.gz LWGWFOBLAZVDPO-QMMMGPOBSA-N 0 0 304.393 0.943 10 0 DCAERN c1ccc(N2CCO[C@@H](CN3C[C@@H]4COC[C@H](C3)O4)C2)cc1 ZINC000563357190 396723143 /nfs/dbraw/zinc/72/31/43/396723143.db2.gz ZUYHWHMNPLZEIV-YESZJQIVSA-N 0 0 304.390 0.991 10 0 DCAERN C[C@H](C(=O)N1CCC(c2ncc[nH]2)CC1)N1C(=O)CCC1=O ZINC000589947754 396732127 /nfs/dbraw/zinc/73/21/27/396732127.db2.gz HZNVNNYHYWTMCM-SNVBAGLBSA-N 0 0 304.350 0.653 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000600093509 396734205 /nfs/dbraw/zinc/73/42/05/396734205.db2.gz CAUKJPZLWLWVHZ-BBBLOLIVSA-N 0 0 301.412 0.460 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCC2)cc1 ZINC000610970740 396795992 /nfs/dbraw/zinc/79/59/92/396795992.db2.gz LJMWKVMMWQYTQV-UHFFFAOYSA-N 0 0 312.347 0.160 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2ncc(Br)cc2F)C1 ZINC000311197629 396759789 /nfs/dbraw/zinc/75/97/89/396759789.db2.gz IYYXFXOCLIBLHX-LLVKDONJSA-N 0 0 318.146 0.800 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000590337823 396759917 /nfs/dbraw/zinc/75/99/17/396759917.db2.gz PJBHEDVONNCYCJ-SFTQSGBHSA-N 0 0 318.377 0.641 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]1CCc2nncn2C1 ZINC000590337821 396760657 /nfs/dbraw/zinc/76/06/57/396760657.db2.gz PJBHEDVONNCYCJ-FMSGJZPZSA-N 0 0 318.377 0.641 10 0 DCAERN CN1CCN(C(=O)[C@H](O)c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000328639237 396828202 /nfs/dbraw/zinc/82/82/02/396828202.db2.gz WTSCRVMRJMIRHX-UONOGXRCSA-N 0 0 300.362 0.958 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000328644087 396828286 /nfs/dbraw/zinc/82/82/86/396828286.db2.gz RQKWOMTUODWBCJ-MJBXVCDLSA-N 0 0 304.394 0.934 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1c1nccn1C ZINC000328643389 396828765 /nfs/dbraw/zinc/82/87/65/396828765.db2.gz YWBZIRCYPRLFPZ-CHWSQXEVSA-N 0 0 319.409 0.104 10 0 DCAERN COc1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)on1 ZINC000328656751 396831492 /nfs/dbraw/zinc/83/14/92/396831492.db2.gz ZQUUWKBSWLTLHA-LBPRGKRZSA-N 0 0 309.366 0.866 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@H](O)C(F)(F)C1 ZINC000617816254 396836122 /nfs/dbraw/zinc/83/61/22/396836122.db2.gz PPBGPKZNACGRHD-LBPRGKRZSA-N 0 0 323.303 0.433 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000625376950 396852820 /nfs/dbraw/zinc/85/28/20/396852820.db2.gz PKVBPGFRALCBJH-XOIINTDNSA-N 0 0 321.421 0.620 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000330089704 396852983 /nfs/dbraw/zinc/85/29/83/396852983.db2.gz WBKOZWHRFFWQQM-REBRKWNGSA-N 0 0 320.393 0.039 10 0 DCAERN CC(=O)N1CC(C(=O)NCC[C@H]2COc3ccccc3O2)C1 ZINC000564751790 396864510 /nfs/dbraw/zinc/86/45/10/396864510.db2.gz GOHOSPHUEMWFBI-ZDUSSCGKSA-N 0 0 304.346 0.811 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1onc2c1CCCC2 ZINC000617891703 396865763 /nfs/dbraw/zinc/86/57/63/396865763.db2.gz BBEADYNIJYPNDT-QWRGUYRKSA-N 0 0 314.363 0.095 10 0 DCAERN O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1ccnnc1 ZINC000376040787 396867455 /nfs/dbraw/zinc/86/74/55/396867455.db2.gz BZRTWNBXVHIAAD-GFCCVEGCSA-N 0 0 311.301 0.990 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC(F)F ZINC000625248083 396816289 /nfs/dbraw/zinc/81/62/89/396816289.db2.gz GYAMJOHLNKBHSZ-UHFFFAOYSA-N 0 0 307.341 0.519 10 0 DCAERN COC(=O)c1cn(C2CN(C(=O)c3cc(C)[nH]c3C)C2)nn1 ZINC000611529604 396881725 /nfs/dbraw/zinc/88/17/25/396881725.db2.gz KMZVWUVVXATLHC-UHFFFAOYSA-N 0 0 303.322 0.707 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000625509210 396901835 /nfs/dbraw/zinc/90/18/35/396901835.db2.gz ICZZWKJXZCYFEG-MBMVNNNZSA-N 0 0 321.421 0.618 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)OC)no2)C1 ZINC000611588003 396892414 /nfs/dbraw/zinc/89/24/14/396892414.db2.gz SJURQPAJYOHJGO-VIFPVBQESA-N 0 0 309.322 0.592 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N[C@H]1CCOC[C@H]1O ZINC000600585004 396893103 /nfs/dbraw/zinc/89/31/03/396893103.db2.gz LXODYZKCFYHJDR-NWDGAFQWSA-N 0 0 300.380 0.791 10 0 DCAERN COC(=O)[C@H](NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614296 396896304 /nfs/dbraw/zinc/89/63/04/396896304.db2.gz GOBKWTZSLOMTHY-UEKVPHQBSA-N 0 0 309.366 0.248 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)[C@H](C)C1 ZINC000625509285 396903324 /nfs/dbraw/zinc/90/33/24/396903324.db2.gz KAJHDPFXWCOOLR-HIFRSBDPSA-N 0 0 321.421 0.928 10 0 DCAERN CO[C@@H]1CN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)C[C@H]1OC ZINC000332979748 396911935 /nfs/dbraw/zinc/91/19/35/396911935.db2.gz LKVJPRSTSFAERR-JHJVBQTASA-N 0 0 323.397 0.204 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC000611747429 396923536 /nfs/dbraw/zinc/92/35/36/396923536.db2.gz MMNMAAJYAWNJEH-NSHDSACASA-N 0 0 304.306 0.206 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)CC[C@H]2CCCO2)C1=O ZINC000569900262 396921616 /nfs/dbraw/zinc/92/16/16/396921616.db2.gz SBCUKJFYIYSQRX-OLZOCXBDSA-N 0 0 320.393 0.991 10 0 DCAERN CC(C)(O)CCC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000569951314 396930238 /nfs/dbraw/zinc/93/02/38/396930238.db2.gz PRZRNXZOQIRGMP-UHFFFAOYSA-N 0 0 306.428 0.325 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1F ZINC000625597212 396942291 /nfs/dbraw/zinc/94/22/91/396942291.db2.gz MZSSZVGPZSEYDH-WDEREUQCSA-N 0 0 305.327 0.262 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000625611952 396949150 /nfs/dbraw/zinc/94/91/50/396949150.db2.gz FKQHMHSFXADTNC-LBPRGKRZSA-N 0 0 310.375 0.595 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)C(C)C ZINC000618310762 396956744 /nfs/dbraw/zinc/95/67/44/396956744.db2.gz XIVDLKQAXOVZFV-JLLWLGSASA-N 0 0 304.412 0.229 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000618316794 396957709 /nfs/dbraw/zinc/95/77/09/396957709.db2.gz KKDCCTLIBRUSRI-WCFLWFBJSA-N 0 0 316.423 0.469 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000376797092 396981001 /nfs/dbraw/zinc/98/10/01/396981001.db2.gz SOPLUDIOQJPQFD-NSHDSACASA-N 0 0 305.334 0.822 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H](C(N)=O)O1 ZINC000625735631 396990711 /nfs/dbraw/zinc/99/07/11/396990711.db2.gz HHDDRCOKFIKFIX-MRTXSQPYSA-N 0 0 311.426 0.502 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000618665761 397006346 /nfs/dbraw/zinc/00/63/46/397006346.db2.gz DPDPFFYBPYMLPC-GHMZBOCLSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)O1 ZINC000618676443 397010222 /nfs/dbraw/zinc/01/02/22/397010222.db2.gz PGTDVFPZNJUZBF-QCNOEVLYSA-N 0 0 304.412 0.292 10 0 DCAERN C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCN1S(C)(=O)=O ZINC000618678815 397011550 /nfs/dbraw/zinc/01/15/50/397011550.db2.gz OHOCPXPVQOWEHR-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)c1cn2cccnc2n1 ZINC000572089610 397018031 /nfs/dbraw/zinc/01/80/31/397018031.db2.gz HQUDEEWKKOKYRY-UHFFFAOYSA-N 0 0 317.393 0.912 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nc(C)c[nH]1 ZINC000626103050 397080852 /nfs/dbraw/zinc/08/08/52/397080852.db2.gz JKLWIERCPKDOIT-UHFFFAOYSA-N 0 0 309.370 0.466 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000377155959 397040111 /nfs/dbraw/zinc/04/01/11/397040111.db2.gz WAKPNKZMLGAPGZ-RRFJBIMHSA-N 0 0 324.421 0.899 10 0 DCAERN O=C(NCCn1cncn1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000601302301 397046795 /nfs/dbraw/zinc/04/67/95/397046795.db2.gz LZXJFYJWIKCGOG-CYBMUJFWSA-N 0 0 320.397 0.322 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630571265 397048308 /nfs/dbraw/zinc/04/83/08/397048308.db2.gz LGBKOLMTAGZKPA-LSDHHAIUSA-N 0 0 319.405 0.769 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000573258032 397150852 /nfs/dbraw/zinc/15/08/52/397150852.db2.gz QPZGFVYPPNKHKL-LBPRGKRZSA-N 0 0 319.361 0.426 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000377913039 397163600 /nfs/dbraw/zinc/16/36/00/397163600.db2.gz LPHNPYOMYZINOY-FPMFFAJLSA-N 0 0 310.394 0.650 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cncnc1 ZINC000626477597 397171573 /nfs/dbraw/zinc/17/15/73/397171573.db2.gz ITWOAGNXDNDWAT-UHFFFAOYSA-N 0 0 307.354 0.225 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C[C@@H](C(N)=O)O1 ZINC000378498578 397247845 /nfs/dbraw/zinc/24/78/45/397247845.db2.gz QOEGQTAZULILBQ-VWYCJHECSA-N 0 0 313.398 0.617 10 0 DCAERN CCN1CC[C@H](NC(=O)Nc2cccc(CC(=O)OC)n2)C1=O ZINC000619801091 397195132 /nfs/dbraw/zinc/19/51/32/397195132.db2.gz KLSMRXRKFGOHLT-NSHDSACASA-N 0 0 320.349 0.539 10 0 DCAERN CCOC(=O)C1(CNC(=O)N[C@@H]2CCN(CC)C2=O)CCC1 ZINC000619800250 397195159 /nfs/dbraw/zinc/19/51/59/397195159.db2.gz BQMFMLMKAJHWMJ-LLVKDONJSA-N 0 0 311.382 0.640 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000601628464 397196842 /nfs/dbraw/zinc/19/68/42/397196842.db2.gz ZWJTZERDLXHIPM-ODXCJYRJSA-N 0 0 300.424 0.757 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000378129330 397197260 /nfs/dbraw/zinc/19/72/60/397197260.db2.gz AEJDMAYHGPBECL-GXFFZTMASA-N 0 0 300.380 0.319 10 0 DCAERN CC(=O)N(C)CC(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000364418177 397199528 /nfs/dbraw/zinc/19/95/28/397199528.db2.gz MJCMYBGMSCCPDY-UHFFFAOYSA-N 0 0 306.297 0.970 10 0 DCAERN COc1ccc(C(=O)N2C[C@H](O)C3(CC3)C2)cc1-n1cnnn1 ZINC000364443992 397202392 /nfs/dbraw/zinc/20/23/92/397202392.db2.gz LSGACNBTSLASLD-ZDUSSCGKSA-N 0 0 315.333 0.268 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)C(C)C ZINC000619990408 397220892 /nfs/dbraw/zinc/22/08/92/397220892.db2.gz XIXCMRPVBKWOKV-OLZOCXBDSA-N 0 0 312.414 0.361 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C=Cc3cnn(C)c3C)CCO2)[nH]1 ZINC000378273391 397221755 /nfs/dbraw/zinc/22/17/55/397221755.db2.gz QQHNYDZIFICICJ-IHVVCDCBSA-N 0 0 316.365 0.768 10 0 DCAERN Cc1cc(C(=O)NCc2nnn(C)n2)c(C)n1[C@H]1CCCOC1 ZINC000626702376 397223802 /nfs/dbraw/zinc/22/38/02/397223802.db2.gz JJWFABRJCVIMMR-LBPRGKRZSA-N 0 0 318.381 0.910 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000601744358 397231940 /nfs/dbraw/zinc/23/19/40/397231940.db2.gz CMEIHLOLICJEKJ-IHRRRGAJSA-N 0 0 324.402 0.688 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(OC)c(OC)cc2C)CCO1 ZINC000378627152 397265748 /nfs/dbraw/zinc/26/57/48/397265748.db2.gz VBSABHJVKICXPB-AWEZNQCLSA-N 0 0 322.361 0.599 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000576684836 397315445 /nfs/dbraw/zinc/31/54/45/397315445.db2.gz LZTDDPNDJXKQFN-SNVBAGLBSA-N 0 0 314.345 0.891 10 0 DCAERN C[C@H](CNCc1c(Br)cnn1C)S(C)(=O)=O ZINC000381138826 397270472 /nfs/dbraw/zinc/27/04/72/397270472.db2.gz MEENLJUWFNOMLT-SSDOTTSWSA-N 0 0 310.217 0.705 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1ccc(OCC(=O)OC)cc1 ZINC000613534766 397274870 /nfs/dbraw/zinc/27/48/70/397274870.db2.gz UIDJEZMWXNSSMJ-HNNXBMFYSA-N 0 0 311.334 0.366 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(n2ccnn2)C1 ZINC000378548370 397255240 /nfs/dbraw/zinc/25/52/40/397255240.db2.gz KWKFYASLISCSAE-UHFFFAOYSA-N 0 0 311.349 0.943 10 0 DCAERN CCN(CC1CC1)C(=O)NCCCN1CCCS1(=O)=O ZINC000601897544 397262669 /nfs/dbraw/zinc/26/26/69/397262669.db2.gz VMOWHGLSCLCYNX-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)C2CCC(C)CC2)CCO1 ZINC000407247976 397332070 /nfs/dbraw/zinc/33/20/70/397332070.db2.gz FNEIXBSTWZBHFB-HTAVTVPLSA-N 0 0 305.396 0.769 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000407952871 397334575 /nfs/dbraw/zinc/33/45/75/397334575.db2.gz JWDRXISDEBQHER-TZMCWYRMSA-N 0 0 309.410 0.664 10 0 DCAERN O=C1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1C1CC1 ZINC000407955077 397336109 /nfs/dbraw/zinc/33/61/09/397336109.db2.gz HEGYJZKGWAKYKV-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)CCC(=O)NC1 ZINC000407958470 397336773 /nfs/dbraw/zinc/33/67/73/397336773.db2.gz PFQHWFCMUUBTFV-QRTLGDNMSA-N 0 0 308.300 0.817 10 0 DCAERN O=C(c1ncoc1[C@@H]1CCCO1)N1CCN(C2CC2)C(=O)C1 ZINC000407958010 397337057 /nfs/dbraw/zinc/33/70/57/397337057.db2.gz QGRRNNWPBVPZCZ-NSHDSACASA-N 0 0 305.334 0.973 10 0 DCAERN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CN1CCOCC1=O ZINC000366151755 397343052 /nfs/dbraw/zinc/34/30/52/397343052.db2.gz NFGUVAMYTJTLAV-ZDUSSCGKSA-N 0 0 306.366 0.251 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCN2CCOc3cccc1c32 ZINC000366152128 397343393 /nfs/dbraw/zinc/34/33/93/397343393.db2.gz PVNIOYVJIUDCEU-UHFFFAOYSA-N 0 0 317.345 0.091 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@H]3CCCO3)[C@H]2C1 ZINC000407991177 397343745 /nfs/dbraw/zinc/34/37/45/397343745.db2.gz SROPWJKISQKPQC-MQYQWHSLSA-N 0 0 319.423 0.764 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408066325 397346620 /nfs/dbraw/zinc/34/66/20/397346620.db2.gz XDKYSVSNANOZTL-MJBXVCDLSA-N 0 0 310.394 0.291 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408223185 397350590 /nfs/dbraw/zinc/35/05/90/397350590.db2.gz SURQUYKQBCIYQW-ZWNOBZJWSA-N 0 0 306.428 0.229 10 0 DCAERN C[C@H](O)[C@H]1C[C@H](C)CCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000408397586 397355522 /nfs/dbraw/zinc/35/55/22/397355522.db2.gz YRIGFAGDEKXKRQ-GRYCIOLGSA-N 0 0 304.412 0.318 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nnc2n1CCOC2 ZINC000408404525 397355825 /nfs/dbraw/zinc/35/58/25/397355825.db2.gz GEFLUNLCDBDAPG-WDMOLILDSA-N 0 0 306.366 0.582 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000408459631 397357400 /nfs/dbraw/zinc/35/74/00/397357400.db2.gz JNCCRZPPVGIEBE-AEJSXWLSSA-N 0 0 309.409 0.432 10 0 DCAERN COc1cc(CN2C[C@@H](O)C[C@@H]2CO)c(Br)cn1 ZINC000621271822 397360960 /nfs/dbraw/zinc/36/09/60/397360960.db2.gz UOEQRALSEXHEHI-ZJUUUORDSA-N 0 0 317.183 0.780 10 0 DCAERN CSCCONC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000366275083 397361205 /nfs/dbraw/zinc/36/12/05/397361205.db2.gz AJZBVTWRUATGBP-LLVKDONJSA-N 0 0 317.411 0.360 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)[C@@H](CO)C2)C[C@@H](C)O1 ZINC000621310596 397371369 /nfs/dbraw/zinc/37/13/69/397371369.db2.gz WNLBJGUCXDBHSO-UMSGYPCISA-N 0 0 306.428 0.291 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620914173 397319799 /nfs/dbraw/zinc/31/97/99/397319799.db2.gz KTJBFMRICCJKQC-CQSZACIVSA-N 0 0 311.426 0.567 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404170742 397328278 /nfs/dbraw/zinc/32/82/78/397328278.db2.gz VTKLEUCEFLJUDO-QWHCGFSZSA-N 0 0 300.355 0.577 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000614419679 397434852 /nfs/dbraw/zinc/43/48/52/397434852.db2.gz SWKGTCIPMIYSPD-MXWKQRLJSA-N 0 0 309.366 0.248 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NCCOCC1CCC1)n1cccn1 ZINC000578185628 397401296 /nfs/dbraw/zinc/40/12/96/397401296.db2.gz DYINNUSZWSNHOX-CYBMUJFWSA-N 0 0 322.409 0.835 10 0 DCAERN C[C@](O)(CO)CNC(=O)Cc1ccc(Br)cc1F ZINC000614300777 397417250 /nfs/dbraw/zinc/41/72/50/397417250.db2.gz CEIZRGSGGIDYGX-GFCCVEGCSA-N 0 0 320.158 0.990 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000484187297 397461620 /nfs/dbraw/zinc/46/16/20/397461620.db2.gz JKHINIFJGNWZSP-XYPYZODXSA-N 0 0 308.382 0.902 10 0 DCAERN CN(C)[C@@]1(C(=O)NN2CC(=O)N(C)C2=O)CCc2ccccc21 ZINC000370358630 397474438 /nfs/dbraw/zinc/47/44/38/397474438.db2.gz QHHWMFZSNLRFOJ-INIZCTEOSA-N 0 0 316.361 0.315 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000614588884 397476614 /nfs/dbraw/zinc/47/66/14/397476614.db2.gz LRSCJQSLOYGGEB-IPYPFGDCSA-N 0 0 301.383 0.570 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cnc(C)nc1 ZINC000488293224 397488696 /nfs/dbraw/zinc/48/86/96/397488696.db2.gz JIOXBZNSCMKRHE-RKDXNWHRSA-N 0 0 323.353 0.363 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)[nH]c(=O)c1 ZINC000488156692 397486309 /nfs/dbraw/zinc/48/63/09/397486309.db2.gz BIOOXLLDVUBZIE-ZJUUUORDSA-N 0 0 323.349 0.282 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@]2(C)CCCNC2=O)CC1)C(F)(F)F ZINC000370447936 397487572 /nfs/dbraw/zinc/48/75/72/397487572.db2.gz RUETVPYAILJXNJ-GXFFZTMASA-N 0 0 321.343 0.998 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccnc1 ZINC000488252862 397488251 /nfs/dbraw/zinc/48/82/51/397488251.db2.gz UJAJXBNAKYKMRC-WDEREUQCSA-N 0 0 307.350 0.197 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCCCc1nnc2ccccn21 ZINC000489533265 397497558 /nfs/dbraw/zinc/49/75/58/397497558.db2.gz LRQNYIGMMCBPDV-UHFFFAOYSA-N 0 0 318.381 0.439 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000370576112 397504185 /nfs/dbraw/zinc/50/41/85/397504185.db2.gz PMUHGWRCBVTFSF-SECBINFHSA-N 0 0 319.369 0.737 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)ncn1 ZINC000579623258 397585419 /nfs/dbraw/zinc/58/54/19/397585419.db2.gz LRCCADZSDMWDFP-SNVBAGLBSA-N 0 0 314.349 0.073 10 0 DCAERN COc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1CO ZINC000494809324 397533186 /nfs/dbraw/zinc/53/31/86/397533186.db2.gz OIDYBEJSMSHJTG-UHFFFAOYSA-N 0 0 305.290 0.089 10 0 DCAERN CCC[C@](C)(NS(=O)(=O)C(COC)COC)C(=O)OC ZINC000603273142 397591540 /nfs/dbraw/zinc/59/15/40/397591540.db2.gz NBQILNQIKOIXOF-LBPRGKRZSA-N 0 0 311.400 0.299 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000603474416 397612640 /nfs/dbraw/zinc/61/26/40/397612640.db2.gz LWIRSIOGKVQMHU-UHFFFAOYSA-N 0 0 311.349 0.410 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000608220031 397721267 /nfs/dbraw/zinc/72/12/67/397721267.db2.gz UFZQKXQFANOJPD-HLTSFMKQSA-N 0 0 307.375 0.586 10 0 DCAERN Cc1cnn(CC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000608246717 397723989 /nfs/dbraw/zinc/72/39/89/397723989.db2.gz VUNWAFMHFCHFTO-CQSZACIVSA-N 0 0 318.381 0.327 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN1CCN(C)CC1 ZINC000605335199 397663307 /nfs/dbraw/zinc/66/33/07/397663307.db2.gz XGVXAIFCFFEKAD-UHFFFAOYSA-N 0 0 304.394 0.855 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)s1 ZINC000605527997 397666634 /nfs/dbraw/zinc/66/66/34/397666634.db2.gz BXTQUWDNRYIMSY-QMMMGPOBSA-N 0 0 317.392 0.708 10 0 DCAERN COCC(=O)NC1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000186310550 292179393 /nfs/dbraw/zinc/17/93/93/292179393.db2.gz KSROMXNXVWOBCO-FOSCPWQOSA-N 0 0 308.378 0.355 10 0 DCAERN COCC1(C)CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)CC1 ZINC000408274310 292226021 /nfs/dbraw/zinc/22/60/21/292226021.db2.gz XUDQOKKDBKFDLK-UONOGXRCSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@H]1CC[C@H](C)N1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249453 300064460 /nfs/dbraw/zinc/06/44/60/300064460.db2.gz VYEKXSATOYEUTD-RYUDHWBXSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@@H]1CC[S@](=O)CCN1c1ccc(S(C)(=O)=O)cn1 ZINC000408110998 296760616 /nfs/dbraw/zinc/76/06/16/296760616.db2.gz XWUXRGKNGYLDOL-MGNBDDOMSA-N 0 0 302.421 0.832 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(=O)N(C)C ZINC000046970202 158002649 /nfs/dbraw/zinc/00/26/49/158002649.db2.gz PDHXUZZVBJBAKE-NEPJUHHUSA-N 0 0 320.397 0.221 10 0 DCAERN CS(=O)(=O)N(CC(=O)c1ccc[nH]1)CC(=O)c1ccc[nH]1 ZINC000047613861 158004594 /nfs/dbraw/zinc/00/45/94/158004594.db2.gz BVUYPPGKPYZZHG-UHFFFAOYSA-N 0 0 309.347 0.670 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)COCCOCC)C1 ZINC000050691090 158012311 /nfs/dbraw/zinc/01/23/11/158012311.db2.gz HJJKFCWGLQOQPK-CYBMUJFWSA-N 0 0 300.399 0.804 10 0 DCAERN C[C@H]1CN(CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160681 158012936 /nfs/dbraw/zinc/01/29/36/158012936.db2.gz NDWIJVCOVMILIW-AWEZNQCLSA-N 0 0 303.406 0.886 10 0 DCAERN Cc1ccc(NC(=O)NC(=O)CN2CCNC(=O)CC2)c(C)c1 ZINC000054258191 158020259 /nfs/dbraw/zinc/02/02/59/158020259.db2.gz IYSBYLPRZPSUQN-UHFFFAOYSA-N 0 0 318.377 0.773 10 0 DCAERN Cc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)n1 ZINC000056407030 158024378 /nfs/dbraw/zinc/02/43/78/158024378.db2.gz UFRGUHZIVRAIRV-UHFFFAOYSA-N 0 0 311.407 0.852 10 0 DCAERN O=C(CCC(=O)N1CCO[C@@H]2CCCC[C@H]21)N1CCOCC1 ZINC000058446083 158027109 /nfs/dbraw/zinc/02/71/09/158027109.db2.gz KMHKNCPWXQVCAT-ZIAGYGMSSA-N 0 0 310.394 0.795 10 0 DCAERN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCNC(=O)CC1 ZINC000059883630 158027475 /nfs/dbraw/zinc/02/74/75/158027475.db2.gz SGLZZFTWGMDZTE-UHFFFAOYSA-N 0 0 303.240 0.768 10 0 DCAERN Cn1ccnc1COc1ccc(NC(=O)CNC(N)=O)cc1 ZINC000063768830 158030622 /nfs/dbraw/zinc/03/06/22/158030622.db2.gz DWAOAOZNZVGRLI-UHFFFAOYSA-N 0 0 303.322 0.606 10 0 DCAERN O=C(CCCNC(=O)c1ccccc1)N1CCNC(=O)CC1 ZINC000065901568 158034181 /nfs/dbraw/zinc/03/41/81/158034181.db2.gz AVIUDRRTNRSVTR-UHFFFAOYSA-N 0 0 303.362 0.545 10 0 DCAERN CCOCc1ccc(CNC(=O)CN2CCNC(=O)CC2)cc1 ZINC000065954610 158035003 /nfs/dbraw/zinc/03/50/03/158035003.db2.gz MCILKLBIWHOTFK-UHFFFAOYSA-N 0 0 319.405 0.661 10 0 DCAERN O[C@H](CSc1nnc(NC2CC2)s1)CN1CCOCC1 ZINC000066401417 158036219 /nfs/dbraw/zinc/03/62/19/158036219.db2.gz BMJQOXZLMODPCG-JTQLQIEISA-N 0 0 316.452 0.898 10 0 DCAERN COC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000069097790 158044766 /nfs/dbraw/zinc/04/47/66/158044766.db2.gz VJIXYEADYDSHEQ-VHSXEESVSA-N 0 0 318.370 0.644 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000074366862 158058025 /nfs/dbraw/zinc/05/80/25/158058025.db2.gz DSRFFZYRUCKPBP-QWHCGFSZSA-N 0 0 324.425 0.650 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 ZINC000074715034 158059817 /nfs/dbraw/zinc/05/98/17/158059817.db2.gz QJOHODWCIQANGQ-UHFFFAOYSA-N 0 0 313.357 0.843 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000074685059 158059865 /nfs/dbraw/zinc/05/98/65/158059865.db2.gz LFAJZFOWDDDKDK-RISCZKNCSA-N 0 0 303.362 0.823 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000074690922 158059914 /nfs/dbraw/zinc/05/99/14/158059914.db2.gz UIKFIDLXNPTJCI-ZDUSSCGKSA-N 0 0 320.393 0.614 10 0 DCAERN O=C(CCn1ccnn1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000074685009 158060090 /nfs/dbraw/zinc/06/00/90/158060090.db2.gz VYZIXHOMSFFLFP-CQSZACIVSA-N 0 0 313.361 0.980 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(C(F)(F)F)CC2)C1 ZINC000075969376 158063430 /nfs/dbraw/zinc/06/34/30/158063430.db2.gz QFBCPTZVZITUJK-SNVBAGLBSA-N 0 0 321.343 0.985 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3[C@@H](C)COC[C@@H]3C)nc2n1 ZINC000076364980 158064375 /nfs/dbraw/zinc/06/43/75/158064375.db2.gz IKKHPMFXQNINSK-RYUDHWBXSA-N 0 0 303.366 0.919 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077700494 158068958 /nfs/dbraw/zinc/06/89/58/158068958.db2.gz XYICMEIPZAKINO-DTWKUNHWSA-N 0 0 308.317 0.940 10 0 DCAERN CC(C)[C@@H](C)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000077897455 158071584 /nfs/dbraw/zinc/07/15/84/158071584.db2.gz JYHWRVQEGVBSGT-JTQLQIEISA-N 0 0 320.436 0.904 10 0 DCAERN CN1C[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)CC1=O ZINC000078779237 158075311 /nfs/dbraw/zinc/07/53/11/158075311.db2.gz MSADMLITQNZNCJ-NXEZZACHSA-N 0 0 322.390 0.551 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)CC1=O ZINC000078779247 158075317 /nfs/dbraw/zinc/07/53/17/158075317.db2.gz MSADMLITQNZNCJ-UWVGGRQHSA-N 0 0 322.390 0.551 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000079042155 158076167 /nfs/dbraw/zinc/07/61/67/158076167.db2.gz YZMBEGMHRNIRNB-NEPJUHHUSA-N 0 0 308.382 0.060 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000079051806 158076380 /nfs/dbraw/zinc/07/63/80/158076380.db2.gz ZBFNZIZHNYIKQY-UFBFGSQYSA-N 0 0 321.299 0.458 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C ZINC000081467956 158084777 /nfs/dbraw/zinc/08/47/77/158084777.db2.gz CCVVTKYGQSLZJU-GFCCVEGCSA-N 0 0 305.378 0.565 10 0 DCAERN CCc1cnc(CN(C)C(=O)CN2C(=O)NC(=O)C2(C)C)s1 ZINC000083010745 158086859 /nfs/dbraw/zinc/08/68/59/158086859.db2.gz JKZKOYLZSKVRRK-UHFFFAOYSA-N 0 0 324.406 0.994 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCOCC1 ZINC000086990718 158091861 /nfs/dbraw/zinc/09/18/61/158091861.db2.gz HPHNBOFPGIHEOB-LBPRGKRZSA-N 0 0 322.413 0.307 10 0 DCAERN Cc1cncc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000088450466 158094551 /nfs/dbraw/zinc/09/45/51/158094551.db2.gz PVBMXPBTAIFESY-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1c2ccccc2C[C@H]1O ZINC000089511155 158097435 /nfs/dbraw/zinc/09/74/35/158097435.db2.gz MQDGMEPPLWDCPT-ZBFHGGJFSA-N 0 0 311.341 0.586 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)c1cnc2c(C)cccn2c1=O ZINC000091074064 158107000 /nfs/dbraw/zinc/10/70/00/158107000.db2.gz QBHOSTVEBIKNJU-JQWIXIFHSA-N 0 0 321.402 0.845 10 0 DCAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784810 158111083 /nfs/dbraw/zinc/11/10/83/158111083.db2.gz ANLFJNURALCTKP-PELKAZGASA-N 0 0 314.288 0.445 10 0 DCAERN CCC[C@@H](NC(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092229168 158112661 /nfs/dbraw/zinc/11/26/61/158112661.db2.gz VWSWKBGFFFULGE-HUUCEWRRSA-N 0 0 319.405 0.830 10 0 DCAERN CCCNC(=O)[C@@H](C)N1CCCN(Cc2noc(C)n2)CC1 ZINC000105866803 158131297 /nfs/dbraw/zinc/13/12/97/158131297.db2.gz YNWKPILWAIHCGP-GFCCVEGCSA-N 0 0 309.414 0.800 10 0 DCAERN Cn1cc(CN2CCCN(CC(=O)NC3CCCC3)CC2)cn1 ZINC000105869220 158131327 /nfs/dbraw/zinc/13/13/27/158131327.db2.gz QEKHVACGFAUSRF-UHFFFAOYSA-N 0 0 319.453 0.987 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000105898529 158132349 /nfs/dbraw/zinc/13/23/49/158132349.db2.gz LSFUCTZBHWTBAY-GFCCVEGCSA-N 0 0 308.386 0.541 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112743033 158143622 /nfs/dbraw/zinc/14/36/22/158143622.db2.gz QOYSBHWOWLPJKK-GFCCVEGCSA-N 0 0 315.381 0.553 10 0 DCAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112652692 158143769 /nfs/dbraw/zinc/14/37/69/158143769.db2.gz HRWPKNWXMATHMB-WCQYABFASA-N 0 0 314.345 0.989 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)N(CC)CC)CC2 ZINC000114874841 158159086 /nfs/dbraw/zinc/15/90/86/158159086.db2.gz KLDAZJFMNJCFCT-SNVBAGLBSA-N 0 0 301.416 0.332 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116311627 158165439 /nfs/dbraw/zinc/16/54/39/158165439.db2.gz PKDIRZPQVNLERJ-LBPRGKRZSA-N 0 0 308.382 0.231 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000116558974 158165730 /nfs/dbraw/zinc/16/57/30/158165730.db2.gz SIZTVAGCJWHVBD-NEPJUHHUSA-N 0 0 310.398 0.211 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000116558977 158166274 /nfs/dbraw/zinc/16/62/74/158166274.db2.gz SIZTVAGCJWHVBD-RYUDHWBXSA-N 0 0 310.398 0.211 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000116669840 158166396 /nfs/dbraw/zinc/16/63/96/158166396.db2.gz DGOKAZVEKZSAPK-GFCCVEGCSA-N 0 0 302.378 0.611 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116947274 158168835 /nfs/dbraw/zinc/16/88/35/158168835.db2.gz AQJKQRBJMSICGF-UTUOFQBUSA-N 0 0 303.428 0.898 10 0 DCAERN CC(=O)NCCNC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116970223 158169008 /nfs/dbraw/zinc/16/90/08/158169008.db2.gz GYOJEKZNZXILCU-UHFFFAOYSA-N 0 0 319.409 0.794 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccc(OC)nc2)C[C@@H]1C ZINC000117473338 158171846 /nfs/dbraw/zinc/17/18/46/158171846.db2.gz OMWKZYWYJKDWQS-ZDUSSCGKSA-N 0 0 322.409 0.952 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000117918182 158174603 /nfs/dbraw/zinc/17/46/03/158174603.db2.gz SZOGMDPBXRGSNV-JQWIXIFHSA-N 0 0 317.411 0.997 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000119123074 158182639 /nfs/dbraw/zinc/18/26/39/158182639.db2.gz ZJHLROWRCJHVJN-ZDUSSCGKSA-N 0 0 313.361 0.941 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000119994801 158191868 /nfs/dbraw/zinc/19/18/68/158191868.db2.gz JQKOXRPZTGLNSQ-OLZOCXBDSA-N 0 0 304.394 0.680 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCN(CCO)CC2)cc1C ZINC000120072110 158193452 /nfs/dbraw/zinc/19/34/52/158193452.db2.gz CWPPIYWTDNPMEM-UHFFFAOYSA-N 0 0 319.405 0.170 10 0 DCAERN Cc1noc(C)c1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000120187212 158195013 /nfs/dbraw/zinc/19/50/13/158195013.db2.gz VVVSHRVOJQGPBJ-LLVKDONJSA-N 0 0 315.395 0.834 10 0 DCAERN COc1cccc([C@H]2CN(Cc3nc(N)nc(N)n3)CCO2)c1 ZINC000120294329 158196645 /nfs/dbraw/zinc/19/66/45/158196645.db2.gz ZCZHSXSLWSMDIB-GFCCVEGCSA-N 0 0 316.365 0.618 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1c1nncn1C ZINC000120426062 158197685 /nfs/dbraw/zinc/19/76/85/158197685.db2.gz FOUMAABJZWMMKA-GHMZBOCLSA-N 0 0 309.395 0.400 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000120571222 158201320 /nfs/dbraw/zinc/20/13/20/158201320.db2.gz AJURTORBOOPMQI-ZIAGYGMSSA-N 0 0 303.362 0.839 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000120720821 158202581 /nfs/dbraw/zinc/20/25/81/158202581.db2.gz MHEPVGTYDFYNCI-RYUDHWBXSA-N 0 0 322.413 0.562 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000121027772 158207013 /nfs/dbraw/zinc/20/70/13/158207013.db2.gz LFQOCJPLQOITLV-OAHLLOKOSA-N 0 0 319.453 0.948 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000121684221 158212501 /nfs/dbraw/zinc/21/25/01/158212501.db2.gz BJBITORFPYZWBE-LBPRGKRZSA-N 0 0 322.413 0.316 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121709029 158214308 /nfs/dbraw/zinc/21/43/08/158214308.db2.gz ZKUIZIYXHBGZLF-JSGCOSHPSA-N 0 0 318.439 0.758 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121753564 158214536 /nfs/dbraw/zinc/21/45/36/158214536.db2.gz TVPKYIRPPAXNMM-GXTWGEPZSA-N 0 0 303.424 0.963 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCOC1 ZINC000121792203 158215299 /nfs/dbraw/zinc/21/52/99/158215299.db2.gz AMHFQEQVNRTXLV-WDEREUQCSA-N 0 0 304.412 0.630 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121796942 158215559 /nfs/dbraw/zinc/21/55/59/158215559.db2.gz MQCNSLCABQMFGF-NSHDSACASA-N 0 0 304.412 0.184 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122392861 158220791 /nfs/dbraw/zinc/22/07/91/158220791.db2.gz LCLCQWLYBWHHPD-SSDOTTSWSA-N 0 0 306.771 0.824 10 0 DCAERN CCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)[nH]n1 ZINC000122404354 158221082 /nfs/dbraw/zinc/22/10/82/158221082.db2.gz XADGPIHFAXAPKG-UHFFFAOYSA-N 0 0 308.363 0.550 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@H](C(N)=O)O1 ZINC000122459965 158221104 /nfs/dbraw/zinc/22/11/04/158221104.db2.gz GPRDIPBEFJSDOX-PSASIEDQSA-N 0 0 312.757 0.248 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)n(C)n1 ZINC000124226178 158239496 /nfs/dbraw/zinc/23/94/96/158239496.db2.gz IKGQFOKKOWEEFC-GFCCVEGCSA-N 0 0 316.365 0.764 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H]1CCCC[C@@H]1CO ZINC000124546496 158243593 /nfs/dbraw/zinc/24/35/93/158243593.db2.gz XAWIBZDKXDCVPI-WOPDTQHZSA-N 0 0 304.412 0.414 10 0 DCAERN C[C@@H](NC(=O)Nc1ccnn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000125012797 158249118 /nfs/dbraw/zinc/24/91/18/158249118.db2.gz GEJHSFABBSXJLU-SECBINFHSA-N 0 0 323.378 0.950 10 0 DCAERN CC[C@H]1CN(C(=O)CN(C)C(=O)COC)CCN1CC(F)F ZINC000125596660 158255916 /nfs/dbraw/zinc/25/59/16/158255916.db2.gz UAFSZDAAVMDBJV-NSHDSACASA-N 0 0 321.368 0.279 10 0 DCAERN CN(C)c1ncc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cn1 ZINC000125968255 158260569 /nfs/dbraw/zinc/26/05/69/158260569.db2.gz GCMNIVVVWTXWHL-SECBINFHSA-N 0 0 315.337 0.257 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@H](C)CCS(C)(=O)=O)c2n1 ZINC000126499026 158266157 /nfs/dbraw/zinc/26/61/57/158266157.db2.gz PLDJLEYLRRZQLF-SNVBAGLBSA-N 0 0 310.379 0.591 10 0 DCAERN O=C1CCC(=O)N1CCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126580878 158266634 /nfs/dbraw/zinc/26/66/34/158266634.db2.gz MESRPYLBHIKRRU-CQSZACIVSA-N 0 0 304.346 0.915 10 0 DCAERN COCCCNC(=O)CN(C)C(=O)c1cnn2c1CCCC2 ZINC000127285260 158272206 /nfs/dbraw/zinc/27/22/06/158272206.db2.gz UMGNEJIXJUJVCX-UHFFFAOYSA-N 0 0 308.382 0.444 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000127634412 158273806 /nfs/dbraw/zinc/27/38/06/158273806.db2.gz DRQRQSSGOYCOQY-RYUDHWBXSA-N 0 0 304.412 0.484 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000127681700 158275958 /nfs/dbraw/zinc/27/59/58/158275958.db2.gz GRERGURJMUMUGV-RYUDHWBXSA-N 0 0 316.427 0.362 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000129052366 158284873 /nfs/dbraw/zinc/28/48/73/158284873.db2.gz FTMYMZIMXVFXNP-RYUDHWBXSA-N 0 0 313.361 0.971 10 0 DCAERN CCCC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000129503360 158289708 /nfs/dbraw/zinc/28/97/08/158289708.db2.gz GRMJJPLFBQHZIH-HNNXBMFYSA-N 0 0 303.362 0.602 10 0 DCAERN Cc1ccc(C)c(OC[C@@H](O)Cn2nc(C(N)=O)ccc2=O)c1 ZINC000131284694 158302318 /nfs/dbraw/zinc/30/23/18/158302318.db2.gz CIJUESWDCYJBMZ-LBPRGKRZSA-N 0 0 317.345 0.399 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CN1CCCS1(=O)=O ZINC000131485666 158302654 /nfs/dbraw/zinc/30/26/54/158302654.db2.gz SDOFFQMSMAXEDI-UHFFFAOYSA-N 0 0 314.411 0.191 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000131720709 158304728 /nfs/dbraw/zinc/30/47/28/158304728.db2.gz GWKTVUHRDWVVMO-GFCCVEGCSA-N 0 0 315.377 0.816 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000131596382 158304761 /nfs/dbraw/zinc/30/47/61/158304761.db2.gz CFCCIEMZPUHUGJ-UHFFFAOYSA-N 0 0 318.377 0.988 10 0 DCAERN CN1CCC[C@H]1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000132527082 158311465 /nfs/dbraw/zinc/31/14/65/158311465.db2.gz HZNNKDCMZXWQMK-VIFPVBQESA-N 0 0 302.421 0.976 10 0 DCAERN CCS(=O)(=O)NCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000132668873 158312991 /nfs/dbraw/zinc/31/29/91/158312991.db2.gz DYBXRAGPHXZDJD-UHFFFAOYSA-N 0 0 314.455 0.925 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000133227045 158317044 /nfs/dbraw/zinc/31/70/44/158317044.db2.gz PZGJZVUDMMODMJ-VIFPVBQESA-N 0 0 322.745 0.354 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)CCO1 ZINC000133502930 158319089 /nfs/dbraw/zinc/31/90/89/158319089.db2.gz HTBJHIVDFRPQDD-QMMMGPOBSA-N 0 0 313.379 0.850 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133505157 158319529 /nfs/dbraw/zinc/31/95/29/158319529.db2.gz UJRSQSQHGNOLEL-OLZOCXBDSA-N 0 0 319.409 0.843 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133562003 158320937 /nfs/dbraw/zinc/32/09/37/158320937.db2.gz ARDXSSZDAAMFCZ-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN COC(=O)NCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133740835 158322229 /nfs/dbraw/zinc/32/22/29/158322229.db2.gz SCXWLPXXMWDFOJ-SNVBAGLBSA-N 0 0 309.370 0.579 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000134011408 158322988 /nfs/dbraw/zinc/32/29/88/158322988.db2.gz SJYZIGUCEQUVMA-ZIAGYGMSSA-N 0 0 320.389 0.723 10 0 DCAERN O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135279856 158335464 /nfs/dbraw/zinc/33/54/64/158335464.db2.gz RIKUPVCGIWYHJZ-ZDUSSCGKSA-N 0 0 317.393 0.574 10 0 DCAERN C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1nnc2n1CCCC2 ZINC000135397516 158336304 /nfs/dbraw/zinc/33/63/04/158336304.db2.gz IJEGHUBWHOFHED-SECBINFHSA-N 0 0 302.338 0.199 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1nnc2n1CCCC2 ZINC000135397497 158336329 /nfs/dbraw/zinc/33/63/29/158336329.db2.gz IJEGHUBWHOFHED-VIFPVBQESA-N 0 0 302.338 0.199 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135723844 158340098 /nfs/dbraw/zinc/34/00/98/158340098.db2.gz YPPHWTTVFPOSNK-CHWSQXEVSA-N 0 0 306.366 0.898 10 0 DCAERN CCCCNC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705105 158340172 /nfs/dbraw/zinc/34/01/72/158340172.db2.gz JZQZMRVWEDAIMI-ZDUSSCGKSA-N 0 0 317.455 0.403 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000136123767 158340970 /nfs/dbraw/zinc/34/09/70/158340970.db2.gz GXFDHPDEMYXXHL-CQSZACIVSA-N 0 0 320.455 0.397 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1nccnc1N)CC2 ZINC000136868489 158343944 /nfs/dbraw/zinc/34/39/44/158343944.db2.gz JCTCUXPBMSTQTE-VIFPVBQESA-N 0 0 301.354 0.519 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@H](CC)COC)CCO2)[nH]1 ZINC000141693802 158347884 /nfs/dbraw/zinc/34/78/84/158347884.db2.gz AEVKJOHTOAQPNQ-GHMZBOCLSA-N 0 0 311.386 0.875 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158669684 158353089 /nfs/dbraw/zinc/35/30/89/158353089.db2.gz IQOPABVIMJBYSQ-ZDUSSCGKSA-N 0 0 302.396 0.901 10 0 DCAERN O=C(Nc1cccc(CN2CCOCC2)c1)[C@@H]1COCCN1 ZINC000165947932 158366254 /nfs/dbraw/zinc/36/62/54/158366254.db2.gz NMFYVRHBUXXCDX-HNNXBMFYSA-N 0 0 305.378 0.446 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000168231218 158370601 /nfs/dbraw/zinc/37/06/01/158370601.db2.gz DURCVLCVLRBYNH-ZYHUDNBSSA-N 0 0 312.391 0.438 10 0 DCAERN COCCn1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000170704788 158375475 /nfs/dbraw/zinc/37/54/75/158375475.db2.gz CVSSTYIJGWYXJB-QWRGUYRKSA-N 0 0 309.370 0.647 10 0 DCAERN C[C@H]1CN(C(=O)NCCC(=O)N2CCN(C)CC2)CCS1 ZINC000171421463 158382423 /nfs/dbraw/zinc/38/24/23/158382423.db2.gz NNKUMRHPVNQHKS-LBPRGKRZSA-N 0 0 314.455 0.297 10 0 DCAERN Cc1nc2ccccc2n1CCNC(=O)N1CCNC(=O)CC1 ZINC000171595560 158383939 /nfs/dbraw/zinc/38/39/39/158383939.db2.gz OTMOSMOUCACQSG-UHFFFAOYSA-N 0 0 315.377 0.876 10 0 DCAERN Cc1nc2c(cnn2C)c(NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000171636855 158385230 /nfs/dbraw/zinc/38/52/30/158385230.db2.gz XRCVZSRQUBOIMB-LBPRGKRZSA-N 0 0 302.382 0.947 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171763043 158386613 /nfs/dbraw/zinc/38/66/13/158386613.db2.gz GHNBDNWUPJLSOW-QWHCGFSZSA-N 0 0 312.391 0.379 10 0 DCAERN COC[C@@H](C)N(C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171925365 158388922 /nfs/dbraw/zinc/38/89/22/158388922.db2.gz BAELECNZBQUPLG-RKDXNWHRSA-N 0 0 311.304 0.826 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172248763 158392032 /nfs/dbraw/zinc/39/20/32/158392032.db2.gz GIBIUCJJXROFHC-RYUDHWBXSA-N 0 0 307.460 0.695 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H]1CCCOC1)CC2 ZINC000172313235 158393122 /nfs/dbraw/zinc/39/31/22/158393122.db2.gz ZALXQAKGPQDRMP-RYUDHWBXSA-N 0 0 307.398 0.881 10 0 DCAERN CCC[C@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308244 158393460 /nfs/dbraw/zinc/39/34/60/158393460.db2.gz SHQPHZWNIXIJFA-LBPRGKRZSA-N 0 0 304.354 0.623 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)n1cncn1)CC2 ZINC000172418202 158394278 /nfs/dbraw/zinc/39/42/78/158394278.db2.gz OBKGJPQBWNNBAZ-MNOVXSKESA-N 0 0 303.370 0.685 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CNC(=O)c1ccccn1 ZINC000172510120 158394630 /nfs/dbraw/zinc/39/46/30/158394630.db2.gz SLDMQUHFDIOKOX-UHFFFAOYSA-N 0 0 315.377 0.521 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172557585 158395813 /nfs/dbraw/zinc/39/58/13/158395813.db2.gz WXXLCGZGHDVIBR-GRYCIOLGSA-N 0 0 310.398 0.341 10 0 DCAERN CCCC(O)(CCC)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000172583563 158396492 /nfs/dbraw/zinc/39/64/92/158396492.db2.gz CAUANPVCNBJOPO-CYBMUJFWSA-N 0 0 301.431 0.948 10 0 DCAERN O=C(Cn1cnnn1)N1CCC(Nc2ccccc2F)CC1 ZINC000174071489 158414400 /nfs/dbraw/zinc/41/44/00/158414400.db2.gz LWJRMUBWAXLJSP-UHFFFAOYSA-N 0 0 304.329 0.915 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@H]2CCc3nc(CC)nn3C2)CC1 ZINC000174874561 158422477 /nfs/dbraw/zinc/42/24/77/158422477.db2.gz YPJGYNWQPPBRIM-JTQLQIEISA-N 0 0 306.366 0.615 10 0 DCAERN Cc1oc(-c2cccs2)nc1CS(=O)(=O)C[C@H](O)CO ZINC000177673488 158449660 /nfs/dbraw/zinc/44/96/60/158449660.db2.gz RYSSZDUAUVITFM-SECBINFHSA-N 0 0 317.388 0.980 10 0 DCAERN COCCC1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000178445581 158458631 /nfs/dbraw/zinc/45/86/31/158458631.db2.gz GXBPEGFDZRTSLG-CQSZACIVSA-N 0 0 324.421 0.901 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CN2CCN1CC2)C(C)C ZINC000178650577 158461568 /nfs/dbraw/zinc/46/15/68/158461568.db2.gz HYUMQMQDRZSZRT-HOCLYGCPSA-N 0 0 324.469 0.289 10 0 DCAERN CNC(=O)[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(C)C ZINC000178690715 158461657 /nfs/dbraw/zinc/46/16/57/158461657.db2.gz KZRQPASFQILZAS-BXUZGUMPSA-N 0 0 311.426 0.958 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000178692317 158461753 /nfs/dbraw/zinc/46/17/53/158461753.db2.gz FQSJGQKIKWWZJS-BXUZGUMPSA-N 0 0 311.426 0.910 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(C)C ZINC000178706306 158462471 /nfs/dbraw/zinc/46/24/71/158462471.db2.gz AQSZXPOCBHLNTO-INIZCTEOSA-N 0 0 319.405 0.622 10 0 DCAERN C[C@@]1(NC(=O)CCc2cncc(F)c2)CCS(=O)(=O)C1 ZINC000179991853 158476433 /nfs/dbraw/zinc/47/64/33/158476433.db2.gz LLIZZHRVQCQLJX-CYBMUJFWSA-N 0 0 300.355 0.847 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnn3c2CCCC3)O1 ZINC000180663003 158480358 /nfs/dbraw/zinc/48/03/58/158480358.db2.gz PFVRJLLHGBYQEC-FZMZJTMJSA-N 0 0 320.393 0.585 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181698986 158488040 /nfs/dbraw/zinc/48/80/40/158488040.db2.gz ATYMZJXUKZCKJP-CYBMUJFWSA-N 0 0 300.428 0.742 10 0 DCAERN COCCCOC1CN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000182793217 158493715 /nfs/dbraw/zinc/49/37/15/158493715.db2.gz SVKDVGAVEAIKRU-UHFFFAOYSA-N 0 0 305.338 0.241 10 0 DCAERN COCCOCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183738203 158501259 /nfs/dbraw/zinc/50/12/59/158501259.db2.gz QAXDOICOGGPDGA-OAHLLOKOSA-N 0 0 324.352 0.797 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC[C@](C)(O)C1)CC2 ZINC000185474973 158520694 /nfs/dbraw/zinc/52/06/94/158520694.db2.gz VZYNEJRJOSQIRN-NHYWBVRUSA-N 0 0 307.398 0.883 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000186319388 158529976 /nfs/dbraw/zinc/52/99/76/158529976.db2.gz MJXDRAFAZSHAOB-UHFFFAOYSA-N 0 0 307.350 0.421 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1)C1CC1 ZINC000187701495 158540197 /nfs/dbraw/zinc/54/01/97/158540197.db2.gz JWBIZQFXUZDHTJ-MCIONIFRSA-N 0 0 319.405 0.864 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000189117092 158550238 /nfs/dbraw/zinc/55/02/38/158550238.db2.gz GKYQAHFJIBUSCT-SYQHCUMBSA-N 0 0 310.394 0.432 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000189118211 158550531 /nfs/dbraw/zinc/55/05/31/158550531.db2.gz GCOLNGROQUEMPI-GRYCIOLGSA-N 0 0 300.424 0.965 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)n[nH]1 ZINC000189715594 158554662 /nfs/dbraw/zinc/55/46/62/158554662.db2.gz NVPQJWJBJXDIRH-UHFFFAOYSA-N 0 0 313.361 0.779 10 0 DCAERN CN1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)CC1=O ZINC000189778787 158555763 /nfs/dbraw/zinc/55/57/63/158555763.db2.gz MROKXMCCOOSOBM-UHFFFAOYSA-N 0 0 304.350 0.159 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190214000 158557935 /nfs/dbraw/zinc/55/79/35/158557935.db2.gz JKCAHSYQNDGWKE-GFCCVEGCSA-N 0 0 312.391 0.825 10 0 DCAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(=O)N(CC)C1 ZINC000190602455 158561773 /nfs/dbraw/zinc/56/17/73/158561773.db2.gz VUQMJDJXOCIXPD-UHFFFAOYSA-N 0 0 324.402 0.914 10 0 DCAERN CC[C@H](CO)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000192677453 158576388 /nfs/dbraw/zinc/57/63/88/158576388.db2.gz SHHDNBQYUGGGHM-GFCCVEGCSA-N 0 0 318.381 0.228 10 0 DCAERN O=C(COCc1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000192710208 158577159 /nfs/dbraw/zinc/57/71/59/158577159.db2.gz NZDXWDODCCLBBK-HNNXBMFYSA-N 0 0 308.378 0.013 10 0 DCAERN Cc1ccc(CS(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(F)c1 ZINC000192822058 158578389 /nfs/dbraw/zinc/57/83/89/158578389.db2.gz SLHKAOCVVOTRGJ-GFCCVEGCSA-N 0 0 316.354 0.150 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCCO[C@@H]1C(C)C ZINC000193454094 158584199 /nfs/dbraw/zinc/58/41/99/158584199.db2.gz WMMXTYCUUQKWEJ-KBUPBQIOSA-N 0 0 312.410 0.536 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H](c2ccsc2)C1 ZINC000246667311 158668928 /nfs/dbraw/zinc/66/89/28/158668928.db2.gz QILITTBNYWIXFK-CMPLNLGQSA-N 0 0 312.391 0.799 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000246859032 158671479 /nfs/dbraw/zinc/67/14/79/158671479.db2.gz GNSJTBFNNYYITA-RWMBFGLXSA-N 0 0 320.393 0.765 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000249290714 158705934 /nfs/dbraw/zinc/70/59/34/158705934.db2.gz AHJMFVLGFDMGLZ-KGLIPLIRSA-N 0 0 320.349 0.573 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)NCC[C@H](C)O ZINC000249475358 158708249 /nfs/dbraw/zinc/70/82/49/158708249.db2.gz VJEHLJHWCXREMF-KYGRNUTJSA-N 0 0 314.426 0.423 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000300239209 158978399 /nfs/dbraw/zinc/97/83/99/158978399.db2.gz JLNZSBAQQXIPLF-IJLUTSLNSA-N 0 0 306.428 0.433 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3cncs3)CCO2)n1 ZINC000328612344 159015649 /nfs/dbraw/zinc/01/56/49/159015649.db2.gz PHEQSDPSKSTJBI-LBPRGKRZSA-N 0 0 321.406 0.822 10 0 DCAERN Cc1nsc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328619657 159016038 /nfs/dbraw/zinc/01/60/38/159016038.db2.gz WEWMHJPBIGLPGA-GFCCVEGCSA-N 0 0 307.423 0.732 10 0 DCAERN Cc1cnn(CCN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000328666540 159018401 /nfs/dbraw/zinc/01/84/01/159018401.db2.gz KJJOWPLKMSSDCA-UHFFFAOYSA-N 0 0 312.381 0.451 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1CCN(C2CC2)CC1 ZINC000328745342 159025740 /nfs/dbraw/zinc/02/57/40/159025740.db2.gz PGDBVVHMYVJGBC-UHFFFAOYSA-N 0 0 312.373 0.703 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000328770442 159027851 /nfs/dbraw/zinc/02/78/51/159027851.db2.gz IXRVSINZRBZIMH-NWDGAFQWSA-N 0 0 311.382 0.185 10 0 DCAERN C[C@@H](CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCCCC1=O ZINC000328774173 159028547 /nfs/dbraw/zinc/02/85/47/159028547.db2.gz RZBMKDLPAYZUGN-QWRGUYRKSA-N 0 0 322.365 0.380 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000328812389 159031624 /nfs/dbraw/zinc/03/16/24/159031624.db2.gz FPLRAUATZAFEAM-GUBZILKMSA-N 0 0 303.384 0.021 10 0 DCAERN CC(C)(C(=O)N1CCN(C2CC2)CC1)S(=O)(=O)C1CC1 ZINC000328870053 159036540 /nfs/dbraw/zinc/03/65/40/159036540.db2.gz PJDXKMRDKYAEMF-UHFFFAOYSA-N 0 0 300.424 0.649 10 0 DCAERN O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329010526 159052022 /nfs/dbraw/zinc/05/20/22/159052022.db2.gz DMASUCPNGIXRKH-OLZOCXBDSA-N 0 0 320.393 0.720 10 0 DCAERN O=C(CSc1nncs1)N1CCC[C@H]1Cn1ccnn1 ZINC000329015205 159052621 /nfs/dbraw/zinc/05/26/21/159052621.db2.gz JTXNWYQGHWOTDJ-VIFPVBQESA-N 0 0 310.408 0.913 10 0 DCAERN Cc1nccn1-c1cncc(N(C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC000329150116 159067876 /nfs/dbraw/zinc/06/78/76/159067876.db2.gz RFPODIWJDQFLSO-GFCCVEGCSA-N 0 0 321.406 0.842 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000329158167 159068871 /nfs/dbraw/zinc/06/88/71/159068871.db2.gz CRRPFPXTKLHWRG-DFBGVHRSSA-N 0 0 316.361 0.731 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)N3CCOCC3)CCO2)c1 ZINC000329230348 159074809 /nfs/dbraw/zinc/07/48/09/159074809.db2.gz DJYNFYZMBHGJRC-CABCVRRESA-N 0 0 322.409 0.140 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H](C2CC2)O1 ZINC000329270817 159078273 /nfs/dbraw/zinc/07/82/73/159078273.db2.gz IXDSPVHNEZVOAX-RUZUBIRVSA-N 0 0 310.394 0.648 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@@H](C)N(C)C3=O)C2=O)n(C)n1 ZINC000329276110 159078413 /nfs/dbraw/zinc/07/84/13/159078413.db2.gz IWXZJWBRBLVWIM-MNOVXSKESA-N 0 0 319.365 0.506 10 0 DCAERN CN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCOC1 ZINC000329288193 159080519 /nfs/dbraw/zinc/08/05/19/159080519.db2.gz MQGZPOHQAWBAQZ-CYBMUJFWSA-N 0 0 317.345 0.804 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@H]32)C1=O ZINC000329326694 159082878 /nfs/dbraw/zinc/08/28/78/159082878.db2.gz UEGULRYFZHNYCL-ZETOZRRWSA-N 0 0 309.366 0.691 10 0 DCAERN O=C([C@H]1COCCO1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329406473 159089878 /nfs/dbraw/zinc/08/98/78/159089878.db2.gz AYPCPVHJVRNEAA-DGCLKSJQSA-N 0 0 306.366 0.734 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OC)C[C@H]1CO ZINC000329470569 159095697 /nfs/dbraw/zinc/09/56/97/159095697.db2.gz YHCJWUKGHCIXFA-IGQOVBAYSA-N 0 0 323.393 0.589 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccnc2)CC1 ZINC000329517828 159099099 /nfs/dbraw/zinc/09/90/99/159099099.db2.gz ZGORBZRPZZGEHA-HNNXBMFYSA-N 0 0 316.405 0.389 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)c3nnc4ccccc4n3)CCO2)cn1 ZINC000329523644 159100136 /nfs/dbraw/zinc/10/01/36/159100136.db2.gz PZHWBQYXTUGYNR-AWEZNQCLSA-N 0 0 324.344 0.972 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)Cc3cncnc3)CC2)n1 ZINC000329537078 159101370 /nfs/dbraw/zinc/10/13/70/159101370.db2.gz UTVWXSSMVPPDEO-LLVKDONJSA-N 0 0 316.365 0.616 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000329596752 159105354 /nfs/dbraw/zinc/10/53/54/159105354.db2.gz PGRKITHQCZREIS-STQMWFEESA-N 0 0 320.455 0.584 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000329646882 159109059 /nfs/dbraw/zinc/10/90/59/159109059.db2.gz JQLCEBMDUYWQDN-ZMJPVWNMSA-N 0 0 306.366 0.737 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCCO2)CCS1(=O)=O ZINC000329672586 159111350 /nfs/dbraw/zinc/11/13/50/159111350.db2.gz NPRHRNUXTSHXEU-GHMZBOCLSA-N 0 0 311.425 0.004 10 0 DCAERN COCC1(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CCOCC1 ZINC000329744513 159115784 /nfs/dbraw/zinc/11/57/84/159115784.db2.gz XUBLJMQMIZRAJI-KBPBESRZSA-N 0 0 312.410 0.361 10 0 DCAERN COC[C@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)CCO1 ZINC000329741579 159116266 /nfs/dbraw/zinc/11/62/66/159116266.db2.gz VZYNXWMMSFPTNQ-LLVKDONJSA-N 0 0 317.345 0.421 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000329954682 159131047 /nfs/dbraw/zinc/13/10/47/159131047.db2.gz NYSDSTRCHDZCDA-QLFBSQMISA-N 0 0 320.393 0.041 10 0 DCAERN COc1cccc2c1CCN(S(=O)(=O)c1cnnn1C)CC2 ZINC000330048932 159137896 /nfs/dbraw/zinc/13/78/96/159137896.db2.gz KKDZUTYINUGHKS-UHFFFAOYSA-N 0 0 322.390 0.613 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330046517 159137927 /nfs/dbraw/zinc/13/79/27/159137927.db2.gz DYKVNAHYEJJNKS-PWSUYJOCSA-N 0 0 300.384 0.131 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@H](OC)[C@@H](OC)C2)cn1 ZINC000330178963 159148296 /nfs/dbraw/zinc/14/82/96/159148296.db2.gz FAUKMTUTNDQONF-ZQDZILKHSA-N 0 0 323.393 0.853 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@H]1CCOC1 ZINC000330194425 159149841 /nfs/dbraw/zinc/14/98/41/159149841.db2.gz OSUNWXSGQKVODI-KBPBESRZSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@H]1OCC[C@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000330226625 159152563 /nfs/dbraw/zinc/15/25/63/159152563.db2.gz UPIOYXMWRUPBJM-ZWNOBZJWSA-N 0 0 316.423 0.484 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)CCC2CCOCC2)C[C@@H]1OC ZINC000330314113 159159249 /nfs/dbraw/zinc/15/92/49/159159249.db2.gz XQRBUWFTYFBTDA-STQMWFEESA-N 0 0 307.412 0.479 10 0 DCAERN COC[C@H]1CN(Cc2nnnn2CC(F)(F)F)CC(C)(C)O1 ZINC000330516333 159184088 /nfs/dbraw/zinc/18/40/88/159184088.db2.gz FEWMFIWKSDIVIM-SECBINFHSA-N 0 0 323.319 0.861 10 0 DCAERN CCN(C(=O)N[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000332753353 159212245 /nfs/dbraw/zinc/21/22/45/159212245.db2.gz HJUSDSGJOPHAIZ-UPJWGTAASA-N 0 0 316.423 0.773 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000332759500 159213823 /nfs/dbraw/zinc/21/38/23/159213823.db2.gz WXEZKWRWWANMQA-MNOVXSKESA-N 0 0 311.407 0.083 10 0 DCAERN C[C@H]([C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCOCC1 ZINC000332840911 159214594 /nfs/dbraw/zinc/21/45/94/159214594.db2.gz ASNJYXSPDPDUQG-XPABHHOTSA-N 0 0 312.410 0.263 10 0 DCAERN O=C(N[C@H]1CCc2[nH]cnc2C1)[C@@H]1COCCN1CC1CCC1 ZINC000332851875 159215344 /nfs/dbraw/zinc/21/53/44/159215344.db2.gz VPQAWIJCVJWRNQ-BBRMVZONSA-N 0 0 318.421 0.884 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000332888322 159216796 /nfs/dbraw/zinc/21/67/96/159216796.db2.gz ZKZDACQUTLHOMV-KBPBESRZSA-N 0 0 301.346 0.529 10 0 DCAERN CCOCC[C@H](O)CN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000366773760 159285049 /nfs/dbraw/zinc/28/50/49/159285049.db2.gz IHSMZFPZEUORKI-ZDUSSCGKSA-N 0 0 320.455 0.320 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@H](C(N)=O)O1 ZINC000366803408 159288496 /nfs/dbraw/zinc/28/84/96/159288496.db2.gz FOYVGZIKDRRQAI-MLGHIDQZSA-N 0 0 323.393 0.228 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C1CCCC1 ZINC000366851889 159292697 /nfs/dbraw/zinc/29/26/97/159292697.db2.gz OJNQETXCPAOQLM-MGPQQGTHSA-N 0 0 307.394 0.418 10 0 DCAERN CC(C)N(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367231843 159323040 /nfs/dbraw/zinc/32/30/40/159323040.db2.gz PPTFGPCLYUUYOG-OLZOCXBDSA-N 0 0 320.455 0.729 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000368325155 159387305 /nfs/dbraw/zinc/38/73/05/159387305.db2.gz XVSHEZKFFNAEJC-DMZKTXOQSA-N 0 0 323.418 0.972 10 0 DCAERN COc1cccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368622510 159406007 /nfs/dbraw/zinc/40/60/07/159406007.db2.gz MSUNPSZXZCJOBV-OAHLLOKOSA-N 0 0 319.405 0.964 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](COC)C1 ZINC000369631578 159471246 /nfs/dbraw/zinc/47/12/46/159471246.db2.gz ZMZMLVIMYRGTGP-GHMZBOCLSA-N 0 0 302.396 0.172 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000375686274 159810950 /nfs/dbraw/zinc/81/09/50/159810950.db2.gz BAAPEQZGNMBHTB-UONOGXRCSA-N 0 0 305.382 0.843 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCC(C2CCOCC2)CC1 ZINC000378245151 159972005 /nfs/dbraw/zinc/97/20/05/159972005.db2.gz MXILKBQEROYHCN-UHFFFAOYSA-N 0 0 318.439 0.879 10 0 DCAERN COC(=O)CC1(NS(=O)(=O)N2CCOCC2)CCCC1 ZINC000407976349 160000675 /nfs/dbraw/zinc/00/06/75/160000675.db2.gz KSRKBQHYFSTKPR-UHFFFAOYSA-N 0 0 306.384 0.029 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000407979424 160001357 /nfs/dbraw/zinc/00/13/57/160001357.db2.gz ZPGSGAIWOWWYIZ-JSGCOSHPSA-N 0 0 323.437 0.864 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)N1CCOCC1 ZINC000407988904 160004447 /nfs/dbraw/zinc/00/44/47/160004447.db2.gz IIEATCONRYCWHG-MELADBBJSA-N 0 0 311.426 0.613 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CCC(C(=O)NC)CC1 ZINC000407991604 160004946 /nfs/dbraw/zinc/00/49/46/160004946.db2.gz VZOZCYGWKUNOMB-MCIGGMRASA-N 0 0 310.398 0.211 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407992776 160004952 /nfs/dbraw/zinc/00/49/52/160004952.db2.gz ULWGGJMBGIFKAK-DTWKUNHWSA-N 0 0 323.315 0.752 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000407995846 160006154 /nfs/dbraw/zinc/00/61/54/160006154.db2.gz MXFZUICDDSTLIC-ZETCQYMHSA-N 0 0 317.333 0.230 10 0 DCAERN CCC1(CC)CCCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC000407996525 160006284 /nfs/dbraw/zinc/00/62/84/160006284.db2.gz FRJWZEUQURWLQC-UHFFFAOYSA-N 0 0 305.444 0.859 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](S(N)(=O)=O)C1)C1CCOCC1 ZINC000407997457 160007263 /nfs/dbraw/zinc/00/72/63/160007263.db2.gz OYAICNRUBUOEKY-PWSUYJOCSA-N 0 0 304.412 0.329 10 0 DCAERN CCCN(C(=O)[C@H]1CCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408002212 160007786 /nfs/dbraw/zinc/00/77/86/160007786.db2.gz CVFPIALFLNZIMF-STQMWFEESA-N 0 0 316.423 0.281 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000408005680 160008899 /nfs/dbraw/zinc/00/88/99/160008899.db2.gz UPDJCGLAFXKBHN-CYBMUJFWSA-N 0 0 324.425 0.699 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](CCO)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408011539 160010381 /nfs/dbraw/zinc/01/03/81/160010381.db2.gz SLJHRWVBJIJVEB-NEPJUHHUSA-N 0 0 323.393 0.470 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)C1 ZINC000408011141 160010427 /nfs/dbraw/zinc/01/04/27/160010427.db2.gz SNPRFBMCTUANSA-DCAQKATOSA-N 0 0 308.300 0.769 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC000408017453 160011722 /nfs/dbraw/zinc/01/17/22/160011722.db2.gz SFDLSSHTXSLPCI-NEPJUHHUSA-N 0 0 314.411 0.340 10 0 DCAERN CCC1(O)CCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408016932 160012157 /nfs/dbraw/zinc/01/21/57/160012157.db2.gz JZAGVARGJPUZPI-LLVKDONJSA-N 0 0 304.412 0.462 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408019742 160013017 /nfs/dbraw/zinc/01/30/17/160013017.db2.gz ANIXEPFBOCTPQZ-RYUDHWBXSA-N 0 0 313.398 0.300 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408018730 160013124 /nfs/dbraw/zinc/01/31/24/160013124.db2.gz VGKCHTXARPTZKJ-YUMQZZPRSA-N 0 0 318.317 0.080 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]21 ZINC000408022611 160013967 /nfs/dbraw/zinc/01/39/67/160013967.db2.gz MFGASOPGGZFUNE-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408025011 160015177 /nfs/dbraw/zinc/01/51/77/160015177.db2.gz MIKKOWXHZZBGPK-VHSXEESVSA-N 0 0 309.395 0.381 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408029327 160015672 /nfs/dbraw/zinc/01/56/72/160015672.db2.gz SZCSKJOEFVDCPR-WNYYMSAVSA-N 0 0 304.412 0.819 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(S(=O)(=O)CC(C)(C)C)C1 ZINC000408029013 160015911 /nfs/dbraw/zinc/01/59/11/160015911.db2.gz RROCCISELIWDNC-ZJUUUORDSA-N 0 0 302.400 0.942 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CO1 ZINC000408033751 160017797 /nfs/dbraw/zinc/01/77/97/160017797.db2.gz BMLYXAHHKRODTE-JHJVBQTASA-N 0 0 320.393 0.290 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3COCC[C@@H]32)co1 ZINC000408038662 160019360 /nfs/dbraw/zinc/01/93/60/160019360.db2.gz ONNBKHIHEBUZTD-KOLCDFICSA-N 0 0 314.363 0.568 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2cc(C)n(C)n2)C1 ZINC000408039057 160019444 /nfs/dbraw/zinc/01/94/44/160019444.db2.gz RRSBGSURIZTALD-JSGCOSHPSA-N 0 0 320.393 0.580 10 0 DCAERN COC(=O)C1(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000408045190 160021221 /nfs/dbraw/zinc/02/12/21/160021221.db2.gz DOUWBJLQKAGVDM-LBPRGKRZSA-N 0 0 323.393 0.736 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000408046685 160021256 /nfs/dbraw/zinc/02/12/56/160021256.db2.gz MSAYNOGMPMCOTM-DMDPSCGWSA-N 0 0 324.343 0.917 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000408043933 160021711 /nfs/dbraw/zinc/02/17/11/160021711.db2.gz ZSLOWNRMXJGEFF-JTQLQIEISA-N 0 0 313.379 0.202 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cn1 ZINC000408048058 160023207 /nfs/dbraw/zinc/02/32/07/160023207.db2.gz KTRLONHYCMBQLQ-HNNXBMFYSA-N 0 0 317.349 0.315 10 0 DCAERN O=C(Cc1ccoc1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050315 160023381 /nfs/dbraw/zinc/02/33/81/160023381.db2.gz CWMQDKYNYQYWFQ-OLZOCXBDSA-N 0 0 310.325 0.620 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000408051474 160023386 /nfs/dbraw/zinc/02/33/86/160023386.db2.gz PGDUXQIIEPJDAZ-INIZCTEOSA-N 0 0 312.410 0.561 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2C[C@H](F)C[C@H]2C(N)=O)C1 ZINC000408051538 160023397 /nfs/dbraw/zinc/02/33/97/160023397.db2.gz IABXQRNSNXIHKF-UTUOFQBUSA-N 0 0 313.373 0.449 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000408051407 160023480 /nfs/dbraw/zinc/02/34/80/160023480.db2.gz OXNWKCSHFZDCJK-NFFDBFGFSA-N 0 0 310.394 0.290 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(CCCO)CC2)C1 ZINC000408053635 160024282 /nfs/dbraw/zinc/02/42/82/160024282.db2.gz IHQDQFILJFRQHJ-INIZCTEOSA-N 0 0 312.410 0.371 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CC[C@@H]21 ZINC000408052380 160024316 /nfs/dbraw/zinc/02/43/16/160024316.db2.gz OFRAZJQSNXOADM-MNOVXSKESA-N 0 0 310.398 0.163 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000408052679 160024364 /nfs/dbraw/zinc/02/43/64/160024364.db2.gz CQYCAXPNGGQIDD-OFQRWUPVSA-N 0 0 312.410 0.680 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408054156 160024585 /nfs/dbraw/zinc/02/45/85/160024585.db2.gz KNAPOQZJMJDXPB-REWJHTLYSA-N 0 0 323.437 0.851 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000408054442 160024609 /nfs/dbraw/zinc/02/46/09/160024609.db2.gz SFRZOFMNFILXNT-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C[C@H]1C(N)=O ZINC000408055911 160025375 /nfs/dbraw/zinc/02/53/75/160025375.db2.gz YFIDLAXHBXJSFQ-PSASIEDQSA-N 0 0 303.318 0.211 10 0 DCAERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000408062012 160026440 /nfs/dbraw/zinc/02/64/40/160026440.db2.gz NESYCAFVXNLKRA-FRRDWIJNSA-N 0 0 315.439 0.620 10 0 DCAERN O=C([C@H](O)C1CCCCC1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000408062328 160026514 /nfs/dbraw/zinc/02/65/14/160026514.db2.gz NPQRCOAYBPNYGO-ZBFHGGJFSA-N 0 0 322.409 0.573 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)[C@H](C)CN1C ZINC000408067995 160027511 /nfs/dbraw/zinc/02/75/11/160027511.db2.gz GHXLXYOEZKTFCJ-CHWSQXEVSA-N 0 0 314.389 0.948 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCN(CCn3cncn3)CC2)C[C@@H](C)O1 ZINC000408077610 160031240 /nfs/dbraw/zinc/03/12/40/160031240.db2.gz ZUIJXQACVAIKOC-ZIAGYGMSSA-N 0 0 321.425 0.626 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1N1CCOCC1 ZINC000408080584 160031483 /nfs/dbraw/zinc/03/14/83/160031483.db2.gz NXHMUUBPFVHLCF-GXTWGEPZSA-N 0 0 319.409 0.335 10 0 DCAERN COC(=O)C1(O)CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000408081395 160031637 /nfs/dbraw/zinc/03/16/37/160031637.db2.gz VMZQZJLZQPEHPJ-SNVBAGLBSA-N 0 0 307.350 0.356 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000408086640 160032581 /nfs/dbraw/zinc/03/25/81/160032581.db2.gz KRPZSPLYUOZJCB-JTQLQIEISA-N 0 0 300.384 0.180 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408090564 160033217 /nfs/dbraw/zinc/03/32/17/160033217.db2.gz DFCAYTAXOXLQFT-SDDRHHMPSA-N 0 0 323.397 0.672 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@H]1O ZINC000408091070 160033351 /nfs/dbraw/zinc/03/33/51/160033351.db2.gz GNCIQXCTEOIPFG-DGCLKSJQSA-N 0 0 304.346 0.641 10 0 DCAERN C[C@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C[C@@H]1O ZINC000408093307 160034049 /nfs/dbraw/zinc/03/40/49/160034049.db2.gz AUKRIJLPPVVXKK-JSGCOSHPSA-N 0 0 305.378 0.761 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@H]1O ZINC000408093450 160034253 /nfs/dbraw/zinc/03/42/53/160034253.db2.gz VSHKLWGNTLWJRX-MGPQQGTHSA-N 0 0 319.409 0.858 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408094079 160034318 /nfs/dbraw/zinc/03/43/18/160034318.db2.gz FBFUWFHWYDNOQG-MRTXSQPYSA-N 0 0 311.378 0.574 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)[C@@H](C)CO1 ZINC000408093768 160034552 /nfs/dbraw/zinc/03/45/52/160034552.db2.gz XEWBYJGEJFPXOU-NWDGAFQWSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408100062 160035624 /nfs/dbraw/zinc/03/56/24/160035624.db2.gz PHDGKSHXSXSBKQ-GXSJLCMTSA-N 0 0 315.395 0.183 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000408098391 160035861 /nfs/dbraw/zinc/03/58/61/160035861.db2.gz QLCZJEAFZHKDCS-UHFFFAOYSA-N 0 0 324.410 0.600 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2nc(C(F)(F)F)ns2)C1 ZINC000408103506 160036631 /nfs/dbraw/zinc/03/66/31/160036631.db2.gz MTLRUJFJVRLJGP-YFKPBYRVSA-N 0 0 316.330 0.685 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000408106026 160037027 /nfs/dbraw/zinc/03/70/27/160037027.db2.gz WRWKOUABTWZZCE-AWEZNQCLSA-N 0 0 309.391 0.592 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000408109003 160037180 /nfs/dbraw/zinc/03/71/80/160037180.db2.gz WUCAAXJZLWWWGI-GFCCVEGCSA-N 0 0 303.366 0.427 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000408109391 160037658 /nfs/dbraw/zinc/03/76/58/160037658.db2.gz FMTNZRZYCNSBDT-SNVBAGLBSA-N 0 0 313.379 0.847 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1 ZINC000408111376 160038044 /nfs/dbraw/zinc/03/80/44/160038044.db2.gz AQBWLVBRAUTPKD-LLVKDONJSA-N 0 0 311.407 0.371 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000408111380 160038230 /nfs/dbraw/zinc/03/82/30/160038230.db2.gz ASNWGQQQJRANBK-LLVKDONJSA-N 0 0 322.434 0.975 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000408113148 160038523 /nfs/dbraw/zinc/03/85/23/160038523.db2.gz QHBKTSWHMOGSDR-GFCCVEGCSA-N 0 0 300.362 0.559 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)s1 ZINC000408116510 160039674 /nfs/dbraw/zinc/03/96/74/160039674.db2.gz XKQJWGFDPCXAST-CBAPKCEASA-N 0 0 319.408 0.493 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)[C@@H]1CNC(=O)C1 ZINC000408114564 160039725 /nfs/dbraw/zinc/03/97/25/160039725.db2.gz DZGGDTWLHGPUCA-TUAOUCFPSA-N 0 0 309.410 0.616 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)CCO1 ZINC000408121180 160041190 /nfs/dbraw/zinc/04/11/90/160041190.db2.gz BZCRJNMVLZLEHU-NWDGAFQWSA-N 0 0 306.428 0.483 10 0 DCAERN Cn1cc(CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000408126705 160043061 /nfs/dbraw/zinc/04/30/61/160043061.db2.gz ASMRDLFSIFRMCL-CQSZACIVSA-N 0 0 304.394 0.824 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000408143664 160046876 /nfs/dbraw/zinc/04/68/76/160046876.db2.gz XENQJFHLEVOIIE-ZDUSSCGKSA-N 0 0 313.427 0.892 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000408148956 160048432 /nfs/dbraw/zinc/04/84/32/160048432.db2.gz IUKCLWFYBNLKQQ-LLVKDONJSA-N 0 0 312.391 0.993 10 0 DCAERN CCC(=O)N[C@H]1CCCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408152278 160049180 /nfs/dbraw/zinc/04/91/80/160049180.db2.gz YOTUHKJXDWIWRW-MJBXVCDLSA-N 0 0 311.426 0.613 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN(CC(F)F)CC2)CCCC1 ZINC000408156821 160049232 /nfs/dbraw/zinc/04/92/32/160049232.db2.gz CTDKHCRKTYXXKF-UHFFFAOYSA-N 0 0 324.393 0.753 10 0 DCAERN C[C@H](C(=O)N1CCC(=O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000408161197 160050309 /nfs/dbraw/zinc/05/03/09/160050309.db2.gz YGQKMNLPJZNKDW-GHMZBOCLSA-N 0 0 317.407 0.406 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H](C)N1C ZINC000408167656 160051800 /nfs/dbraw/zinc/05/18/00/160051800.db2.gz FKBXTHVYBUNMHJ-BETUJISGSA-N 0 0 314.389 0.948 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1cnn3ccncc13)CCO2 ZINC000408167385 160052110 /nfs/dbraw/zinc/05/21/10/160052110.db2.gz XUWULWYWNSKVGE-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000408190506 160056266 /nfs/dbraw/zinc/05/62/66/160056266.db2.gz ZLSSNTQXHYOWBM-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC000408197778 160057483 /nfs/dbraw/zinc/05/74/83/160057483.db2.gz JVKSYMCUPHFFDX-KFWWJZLASA-N 0 0 300.443 0.408 10 0 DCAERN C[C@H]1CN(C(=O)CCNC(=O)C(C)(C)C)CCS1(=O)=O ZINC000408198885 160058625 /nfs/dbraw/zinc/05/86/25/160058625.db2.gz WRSQGKSQHAWVSD-JTQLQIEISA-N 0 0 304.412 0.184 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000408213480 160061758 /nfs/dbraw/zinc/06/17/58/160061758.db2.gz HOMZOTBKZDEFMH-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CSCC(=O)N1CCOCC1 ZINC000408217918 160062436 /nfs/dbraw/zinc/06/24/36/160062436.db2.gz NUQUMGAJLXOFMR-TXEJJXNPSA-N 0 0 316.423 0.214 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@@H]1OC ZINC000408229111 160064083 /nfs/dbraw/zinc/06/40/83/160064083.db2.gz MVAUDUWUYJWUOH-OFTGVCEQSA-N 0 0 322.427 0.122 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408225463 160064104 /nfs/dbraw/zinc/06/41/04/160064104.db2.gz KODQMOGVCNTVTA-SCZZXKLOSA-N 0 0 312.313 0.434 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408230247 160064954 /nfs/dbraw/zinc/06/49/54/160064954.db2.gz FDRPSSXHMYHXPY-UWVGGRQHSA-N 0 0 317.336 0.083 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)C1(F)F ZINC000408232327 160065373 /nfs/dbraw/zinc/06/53/73/160065373.db2.gz SQHWATOKVRNQCB-OPRDCNLKSA-N 0 0 310.366 0.675 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1(F)F ZINC000408232525 160065478 /nfs/dbraw/zinc/06/54/78/160065478.db2.gz UMUMSOSZSFPZSE-PSASIEDQSA-N 0 0 310.366 0.770 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000408236093 160066038 /nfs/dbraw/zinc/06/60/38/160066038.db2.gz NDJWXBBNCADUKC-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408235063 160066418 /nfs/dbraw/zinc/06/64/18/160066418.db2.gz HACBTPVJBHJCRI-IJLUTSLNSA-N 0 0 302.400 0.215 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000408243645 160067432 /nfs/dbraw/zinc/06/74/32/160067432.db2.gz IZOZAEUIGLUYIC-IJLUTSLNSA-N 0 0 316.423 0.296 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245503 160068193 /nfs/dbraw/zinc/06/81/93/160068193.db2.gz GNETXYGDNXXZBY-DYVFJYSZSA-N 0 0 321.421 0.762 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)n1 ZINC000408246966 160068214 /nfs/dbraw/zinc/06/82/14/160068214.db2.gz QRCKCVOECHIYTB-KBPBESRZSA-N 0 0 308.382 0.691 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245899 160068575 /nfs/dbraw/zinc/06/85/75/160068575.db2.gz HQJMTXJCPRKMKM-INIZCTEOSA-N 0 0 309.410 0.668 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](CCO)C1)CC2 ZINC000408249231 160069395 /nfs/dbraw/zinc/06/93/95/160069395.db2.gz QVEVBZOLDVEISQ-VXGBXAGGSA-N 0 0 307.398 0.569 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CCCO1 ZINC000408258247 160070710 /nfs/dbraw/zinc/07/07/10/160070710.db2.gz ZCHCELAMISAWBH-LOWDOPEQSA-N 0 0 317.407 0.769 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408257036 160070736 /nfs/dbraw/zinc/07/07/36/160070736.db2.gz NZSFUAYCAYHNQT-ZJUUUORDSA-N 0 0 322.331 0.543 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000408258776 160071435 /nfs/dbraw/zinc/07/14/35/160071435.db2.gz BAMNFTOXYFDWFK-XFNZEKPQSA-N 0 0 322.390 0.665 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)C2(O)CCOCC2)CC1 ZINC000408260280 160071530 /nfs/dbraw/zinc/07/15/30/160071530.db2.gz FEESZXIODCWXMW-UHFFFAOYSA-N 0 0 305.378 0.580 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)CC[S@]1=O ZINC000408272245 160073588 /nfs/dbraw/zinc/07/35/88/160073588.db2.gz AKNNOVNFBMIFBV-OAQYLSRUSA-N 0 0 311.407 0.544 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C(C)(C)C1 ZINC000408283173 160075992 /nfs/dbraw/zinc/07/59/92/160075992.db2.gz GWMQCMPQIKBSKN-JTQLQIEISA-N 0 0 303.366 0.777 10 0 DCAERN COC1CCN(C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1 ZINC000408283591 160076004 /nfs/dbraw/zinc/07/60/04/160076004.db2.gz MKQBIQQSNFVFOR-UHFFFAOYSA-N 0 0 323.397 0.726 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408290549 160077468 /nfs/dbraw/zinc/07/74/68/160077468.db2.gz QBJUPFZSCNZYFP-NSHDSACASA-N 0 0 300.384 0.192 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000408292235 160077498 /nfs/dbraw/zinc/07/74/98/160077498.db2.gz ROIQGXJCQVMDDN-NSHDSACASA-N 0 0 318.377 0.442 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC(N(C)C(C)=O)CC1 ZINC000408289723 160077800 /nfs/dbraw/zinc/07/78/00/160077800.db2.gz IUDVNOHHTFTFCR-UHFFFAOYSA-N 0 0 314.411 0.534 10 0 DCAERN CC(C)[C@@](C)(O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000408292496 160077882 /nfs/dbraw/zinc/07/78/82/160077882.db2.gz TYFMJAWZJVBFDI-CQSZACIVSA-N 0 0 318.439 0.466 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000408294219 160078425 /nfs/dbraw/zinc/07/84/25/160078425.db2.gz LCWJFVFBIGVXRI-XQQFMLRXSA-N 0 0 320.393 0.733 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@H]1C ZINC000408296748 160079344 /nfs/dbraw/zinc/07/93/44/160079344.db2.gz CNIVXWKZJULDIV-URYGNPGCSA-N 0 0 302.396 0.348 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)c1 ZINC000408302269 160080152 /nfs/dbraw/zinc/08/01/52/160080152.db2.gz YGHKDJXHYGPQFN-LLVKDONJSA-N 0 0 324.410 0.600 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000408303975 160080998 /nfs/dbraw/zinc/08/09/98/160080998.db2.gz VESCPDZDQMKBRV-NXEZZACHSA-N 0 0 303.384 0.681 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000408306787 160081322 /nfs/dbraw/zinc/08/13/22/160081322.db2.gz RCCOBCOFJGJCGL-SHSFNPOBSA-N 0 0 318.464 0.571 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)C3(O)CCC3)CC2)n1 ZINC000408319685 160083869 /nfs/dbraw/zinc/08/38/69/160083869.db2.gz MOHCDSGHNGEWJB-UHFFFAOYSA-N 0 0 305.382 0.106 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000408319473 160083956 /nfs/dbraw/zinc/08/39/56/160083956.db2.gz JBHVOMZLWBIWLY-UONOGXRCSA-N 0 0 323.437 0.424 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000408326333 160085229 /nfs/dbraw/zinc/08/52/29/160085229.db2.gz LHHUVZFTJZUDEO-SDDRHHMPSA-N 0 0 304.412 0.342 10 0 DCAERN CSc1c(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cnn1C ZINC000408332344 160087042 /nfs/dbraw/zinc/08/70/42/160087042.db2.gz SGIIRZIZTIOLIJ-MRVPVSSYSA-N 0 0 318.424 0.035 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCC23CCC3)CC1 ZINC000408341254 160088237 /nfs/dbraw/zinc/08/82/37/160088237.db2.gz QSCQNIPQJJGFPW-UHFFFAOYSA-N 0 0 302.396 0.745 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[S@](C)=O ZINC000408339328 160088361 /nfs/dbraw/zinc/08/83/61/160088361.db2.gz PKRQDCCEHAABFU-DPNGTGFASA-N 0 0 312.457 0.087 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(=O)[nH]c1=O ZINC000408349175 160089377 /nfs/dbraw/zinc/08/93/77/160089377.db2.gz GZAPEPLDJYCFHF-BONVTDFDSA-N 0 0 307.350 0.253 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@H](C)[C@H]1C ZINC000408349488 160089412 /nfs/dbraw/zinc/08/94/12/160089412.db2.gz QGQIIHXFFINCMQ-RKDXNWHRSA-N 0 0 318.420 0.953 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCc2ccc(O)cc2C1 ZINC000408370784 160093931 /nfs/dbraw/zinc/09/39/31/160093931.db2.gz PUJRLBXUPOXTFW-UHFFFAOYSA-N 0 0 317.345 0.607 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H](C)N2CCOCC2)[C@@H](C)C1=O ZINC000408375492 160095234 /nfs/dbraw/zinc/09/52/34/160095234.db2.gz KPVUFBFQJJXLNF-KGLIPLIRSA-N 0 0 311.426 0.422 10 0 DCAERN Cc1c(C(=O)N2CCN(CCO)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 ZINC000408379339 160096052 /nfs/dbraw/zinc/09/60/52/160096052.db2.gz ZKZSKGWYQPBJFI-NSHDSACASA-N 0 0 319.405 0.981 10 0 DCAERN COC[C@H]1CN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CCO1 ZINC000408404238 160101038 /nfs/dbraw/zinc/10/10/38/160101038.db2.gz FUVLQBMKFLBUEB-VXGBXAGGSA-N 0 0 309.370 0.478 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000408406760 160101781 /nfs/dbraw/zinc/10/17/81/160101781.db2.gz OEVFSNNNJLUELG-LLVKDONJSA-N 0 0 306.370 0.343 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408405744 160102225 /nfs/dbraw/zinc/10/22/25/160102225.db2.gz KJFXRKSWRUPFHP-TUAOUCFPSA-N 0 0 304.412 0.894 10 0 DCAERN CC1(C)CCC[C@@](O)(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408417111 160103665 /nfs/dbraw/zinc/10/36/65/160103665.db2.gz PRTGTEVOWIGCMO-RISCZKNCSA-N 0 0 303.424 0.869 10 0 DCAERN CC1(C)CCC[C@@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC000408417165 160103673 /nfs/dbraw/zinc/10/36/73/160103673.db2.gz QKCYXPWPQOYCFH-HNNXBMFYSA-N 0 0 311.382 0.376 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000408418127 160104459 /nfs/dbraw/zinc/10/44/59/160104459.db2.gz UWSGPUFQBKXWHB-SBKAZYGRSA-N 0 0 301.412 0.208 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408425530 160105093 /nfs/dbraw/zinc/10/50/93/160105093.db2.gz GMMNMJBJQIIZLM-NEPJUHHUSA-N 0 0 324.425 0.553 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000408432599 160106864 /nfs/dbraw/zinc/10/68/64/160106864.db2.gz HCOMAYOEDZDXSP-CQSZACIVSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)[C@H]1CCCO1 ZINC000408436400 160107632 /nfs/dbraw/zinc/10/76/32/160107632.db2.gz YOKLGMUUHFLYNX-CMPLNLGQSA-N 0 0 319.427 0.264 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408435824 160107776 /nfs/dbraw/zinc/10/77/76/160107776.db2.gz PZPFRLDNWMIGLY-SDDRHHMPSA-N 0 0 310.485 0.913 10 0 DCAERN O=c1nc(CN2C[C@@H](O)[C@@H](O)C2)[nH]c2sc3c(c21)CCC3 ZINC000408441105 160108387 /nfs/dbraw/zinc/10/83/87/160108387.db2.gz GWNHLCZCVMTCIC-DTORHVGOSA-N 0 0 307.375 0.423 10 0 DCAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)no1 ZINC000408455287 160111554 /nfs/dbraw/zinc/11/15/54/160111554.db2.gz XDAOGXXSDQCNCH-WPRPVWTQSA-N 0 0 316.383 0.321 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000408471470 160115802 /nfs/dbraw/zinc/11/58/02/160115802.db2.gz SMHPFJRSDXRLNK-OBJOEFQTSA-N 0 0 310.394 0.386 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)CC(C)(CO)CO ZINC000408473663 160116541 /nfs/dbraw/zinc/11/65/41/160116541.db2.gz GTVLOTZFKGVAET-ZIAGYGMSSA-N 0 0 321.421 0.603 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172121580 286848558 /nfs/dbraw/zinc/84/85/58/286848558.db2.gz DCJUUZWXRJQXQU-RDGKXADDSA-N 0 0 311.426 0.510 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)Nc1ccc2oc(C)nc2c1 ZINC000049976202 286893028 /nfs/dbraw/zinc/89/30/28/286893028.db2.gz UGFQCSGCESQFRQ-UHFFFAOYSA-N 0 0 304.306 0.327 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCCCNC(N)=O ZINC000067622934 286906792 /nfs/dbraw/zinc/90/67/92/286906792.db2.gz SCBBXZWBCNRKBV-LBPRGKRZSA-N 0 0 312.414 0.684 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)C1 ZINC000118972667 286945972 /nfs/dbraw/zinc/94/59/72/286945972.db2.gz KBJFXBORPAZJMQ-LLVKDONJSA-N 0 0 303.428 0.516 10 0 DCAERN CN(C)c1ncc(NC(=O)c2ccc(CNC(N)=O)cc2)cn1 ZINC000125865276 286968313 /nfs/dbraw/zinc/96/83/13/286968313.db2.gz ZUTPBPBNWNYKLX-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1F ZINC000125342150 286966036 /nfs/dbraw/zinc/96/60/36/286966036.db2.gz ITKZROHQPWLWLE-VIFPVBQESA-N 0 0 307.325 0.674 10 0 DCAERN Cc1cccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 ZINC000130362477 286993735 /nfs/dbraw/zinc/99/37/35/286993735.db2.gz LUEYPRXJRUFFLR-MRXNPFEDSA-N 0 0 316.361 0.727 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](O)COc1ccc(F)cc1 ZINC000132088713 287003566 /nfs/dbraw/zinc/00/35/66/287003566.db2.gz SFDORKNPARGLSU-GFCCVEGCSA-N 0 0 320.320 0.992 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132266595 287004382 /nfs/dbraw/zinc/00/43/82/287004382.db2.gz JFGAIODYFMVJNI-CYBMUJFWSA-N 0 0 322.409 0.836 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCCC(=O)N[C@@H](C)[C@H](C)CO ZINC000131499816 287000794 /nfs/dbraw/zinc/00/07/94/287000794.db2.gz SZJZOIMBZNFEEZ-RNJOBUHISA-N 0 0 302.415 0.423 10 0 DCAERN COC(=O)C1(N(C)C[C@@H](O)CN2CCOCC2)CCCC1 ZINC000133486900 287011039 /nfs/dbraw/zinc/01/10/39/287011039.db2.gz XCJSFJQMZQMZSD-CYBMUJFWSA-N 0 0 300.399 0.097 10 0 DCAERN CC(C)CCn1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)n1 ZINC000133806475 287013260 /nfs/dbraw/zinc/01/32/60/287013260.db2.gz LFXSAVRTNQTWMV-UHFFFAOYSA-N 0 0 321.381 0.216 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000134090868 287014975 /nfs/dbraw/zinc/01/49/75/287014975.db2.gz KMUXZWXRFXTGLS-LBPRGKRZSA-N 0 0 323.397 0.069 10 0 DCAERN CSCCCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000134764908 287018373 /nfs/dbraw/zinc/01/83/73/287018373.db2.gz YLWCSGUMWMTRCW-UHFFFAOYSA-N 0 0 323.418 0.803 10 0 DCAERN CC(=O)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)nc1C ZINC000134498714 287016910 /nfs/dbraw/zinc/01/69/10/287016910.db2.gz KAOWITSNGNPANC-UHFFFAOYSA-N 0 0 314.345 0.960 10 0 DCAERN COC(=O)c1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000137705981 287028880 /nfs/dbraw/zinc/02/88/80/287028880.db2.gz KDYVSBJLNWOEMD-UHFFFAOYSA-N 0 0 315.329 0.841 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCC(=O)NC(C)C ZINC000136863310 287027137 /nfs/dbraw/zinc/02/71/37/287027137.db2.gz QYOXMPOYXWSOGS-LLVKDONJSA-N 0 0 300.403 0.505 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000151147343 287032129 /nfs/dbraw/zinc/03/21/29/287032129.db2.gz ANMOCRZBRPUHBZ-NXEZZACHSA-N 0 0 300.380 0.341 10 0 DCAERN Cc1noc(C)c1[C@H](C)CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000152250817 287040275 /nfs/dbraw/zinc/04/02/75/287040275.db2.gz IOFYGKYISXMMMF-MRVPVSSYSA-N 0 0 322.365 0.842 10 0 DCAERN C[C@@]1(O)CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000177370004 287054981 /nfs/dbraw/zinc/05/49/81/287054981.db2.gz AHBOOXSVPDIGOB-CYBMUJFWSA-N 0 0 307.741 0.913 10 0 DCAERN CCNC(=O)N1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000181056459 287056258 /nfs/dbraw/zinc/05/62/58/287056258.db2.gz JBXDUWOICYDXQN-UHFFFAOYSA-N 0 0 306.414 0.930 10 0 DCAERN CCN(CC)C(=O)C1(NC(=O)Cn2cn[nH]c2=O)CCCCC1 ZINC000184686262 287056745 /nfs/dbraw/zinc/05/67/45/287056745.db2.gz WTMWDBBDUJCYIC-UHFFFAOYSA-N 0 0 323.397 0.259 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)[C@@H](C)CO1 ZINC000245559365 287070663 /nfs/dbraw/zinc/07/06/63/287070663.db2.gz UBWDEFNJJWELCX-QJPTWQEYSA-N 0 0 306.428 0.888 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246090930 287076413 /nfs/dbraw/zinc/07/64/13/287076413.db2.gz KBNWQCSLQXOZAA-HZSPNIEDSA-N 0 0 320.455 0.272 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)c1 ZINC000246200427 287078802 /nfs/dbraw/zinc/07/88/02/287078802.db2.gz OSIRNIXECOERGY-VXGBXAGGSA-N 0 0 302.400 0.135 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CN1C1CC1 ZINC000246578598 287085706 /nfs/dbraw/zinc/08/57/06/287085706.db2.gz WQRZTUCOPJDGEJ-GRYCIOLGSA-N 0 0 315.439 0.440 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000246593753 287086002 /nfs/dbraw/zinc/08/60/02/287086002.db2.gz GVKHBFUVVARSAA-LOWDOPEQSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247087642 287090817 /nfs/dbraw/zinc/09/08/17/287090817.db2.gz NRLNEROXRFKCRZ-STQMWFEESA-N 0 0 302.440 0.752 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247145393 287091264 /nfs/dbraw/zinc/09/12/64/287091264.db2.gz ROVLQNULUKBNDJ-XQQFMLRXSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247186220 287091853 /nfs/dbraw/zinc/09/18/53/287091853.db2.gz UZFDUPQDFONTRR-AGIUHOORSA-N 0 0 302.440 0.800 10 0 DCAERN COC[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247200877 287092058 /nfs/dbraw/zinc/09/20/58/287092058.db2.gz LQFDODBOVYOWMF-JHJVBQTASA-N 0 0 306.428 0.699 10 0 DCAERN CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220730 287092084 /nfs/dbraw/zinc/09/20/84/287092084.db2.gz VKUSAAXOKMRALP-OLZOCXBDSA-N 0 0 317.455 0.401 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333131497 287096264 /nfs/dbraw/zinc/09/62/64/287096264.db2.gz HZHFRDMCWHZBKP-YIYPIFLZSA-N 0 0 302.440 0.503 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000248476873 287097629 /nfs/dbraw/zinc/09/76/29/287097629.db2.gz YKEZXNFULUAFCZ-SRVKXCTJSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000248529487 287098071 /nfs/dbraw/zinc/09/80/71/287098071.db2.gz DRNCIHHQOVMJDC-NWDGAFQWSA-N 0 0 315.439 0.564 10 0 DCAERN CCOC(=O)[C@H](C)N(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000248939518 287103851 /nfs/dbraw/zinc/10/38/51/287103851.db2.gz CJWKXPCLSZHDRA-JSGCOSHPSA-N 0 0 300.399 0.096 10 0 DCAERN CCC1(CC)CN([C@H](C)C(=O)NCC(=O)OC)CC[S@@]1=O ZINC000249069120 287105988 /nfs/dbraw/zinc/10/59/88/287105988.db2.gz ZXYUJLMMCQRFHK-FIKIJFGZSA-N 0 0 318.439 0.287 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249578898 287114573 /nfs/dbraw/zinc/11/45/73/287114573.db2.gz QGORKBZZUURHLE-CABCVRRESA-N 0 0 317.433 0.963 10 0 DCAERN CCN(C(=O)N[C@H]1CCCN(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000249808800 287118437 /nfs/dbraw/zinc/11/84/37/287118437.db2.gz XQQKXHPOBRZUCQ-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000251291168 287119213 /nfs/dbraw/zinc/11/92/13/287119213.db2.gz NQZHUYMGKCMZDB-SYQHCUMBSA-N 0 0 315.435 0.963 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000252692518 287120843 /nfs/dbraw/zinc/12/08/43/287120843.db2.gz CUMXQCYCUBSXMP-KBPBESRZSA-N 0 0 319.471 0.494 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CC[C@H](O)CC1 ZINC000253555267 287121497 /nfs/dbraw/zinc/12/14/97/287121497.db2.gz DBXHUGQUDAIRNW-XYPYZODXSA-N 0 0 317.345 0.522 10 0 DCAERN C[C@H](C1CC1)N(C(=O)CN1CCN(CCO)[C@H](C)C1)C1CC1 ZINC000249601774 287116064 /nfs/dbraw/zinc/11/60/64/287116064.db2.gz YNRAIJVTLYJXRN-ZIAGYGMSSA-N 0 0 309.454 0.774 10 0 DCAERN CC[C@@H]1CN(C(=O)CS(=O)(=O)C(C)C)C[C@]2(CCOC2)O1 ZINC000408326130 287135002 /nfs/dbraw/zinc/13/50/02/287135002.db2.gz JDHYVDBBSOVJLB-OCCSQVGLSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248121077 287161577 /nfs/dbraw/zinc/16/15/77/287161577.db2.gz NJRYFHUBSMEVGJ-QWRGUYRKSA-N 0 0 320.393 0.676 10 0 DCAERN O=C(Cn1cc(NC(=O)N2CC[C@H](O)C2)cn1)NC1CCCC1 ZINC000355839524 287188752 /nfs/dbraw/zinc/18/87/52/287188752.db2.gz FOGRMPGQNZNKPZ-ZDUSSCGKSA-N 0 0 321.381 0.540 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCOC)CCN1C[C@@H](C)O ZINC000175143926 287203631 /nfs/dbraw/zinc/20/36/31/287203631.db2.gz UDXLKBJNEZHDNV-CHWSQXEVSA-N 0 0 308.444 0.130 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(CC)CC)C[C@]2(CCOC2)O1 ZINC000408338527 287204131 /nfs/dbraw/zinc/20/41/31/287204131.db2.gz HGAFMSFNHCJPEK-OLZOCXBDSA-N 0 0 306.428 0.843 10 0 DCAERN COc1cc(CNC(=O)N2CCN3CCOC[C@@H]3C2)ccc1O ZINC000363876667 287219232 /nfs/dbraw/zinc/21/92/32/287219232.db2.gz RUMDEXVPFYLKPK-ZDUSSCGKSA-N 0 0 321.377 0.627 10 0 DCAERN O=Cc1cccc(OCCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000375888601 287228470 /nfs/dbraw/zinc/22/84/70/287228470.db2.gz FYLQDHFZSWJBDX-UHFFFAOYSA-N 0 0 300.318 0.943 10 0 DCAERN Cc1nnc(CN(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)o1 ZINC000399803746 287231136 /nfs/dbraw/zinc/23/11/36/287231136.db2.gz XHSXRNUINXBSET-QWRGUYRKSA-N 0 0 312.370 0.790 10 0 DCAERN CN(C)c1nccc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000607146454 412299399 /nfs/dbraw/zinc/29/93/99/412299399.db2.gz QSWDCGYIGSHGTL-LLVKDONJSA-N 0 0 301.354 0.494 10 0 DCAERN c1c(CNc2nc3ncccn3n2)nnn1C[C@@H]1CCOC1 ZINC000630953183 412433598 /nfs/dbraw/zinc/43/35/98/412433598.db2.gz CYTUREBPSQWGTN-JTQLQIEISA-N 0 0 300.326 0.364 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCC1=O ZINC000265664443 415134264 /nfs/dbraw/zinc/13/42/64/415134264.db2.gz PODLGKGZNIENHM-CMPLNLGQSA-N 0 0 319.336 0.989 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1CC1 ZINC000026205414 415165631 /nfs/dbraw/zinc/16/56/31/415165631.db2.gz PBVZYFHSRHEYME-VIFPVBQESA-N 0 0 307.375 0.640 10 0 DCAERN Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1C ZINC000040216048 415194980 /nfs/dbraw/zinc/19/49/80/415194980.db2.gz AFZVGCDNDUAFQK-UHFFFAOYSA-N 0 0 307.375 0.911 10 0 DCAERN Cn1ccnc1N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000268246581 415182424 /nfs/dbraw/zinc/18/24/24/415182424.db2.gz WEADZPFOXAEFDY-GFCCVEGCSA-N 0 0 314.393 0.912 10 0 DCAERN COc1cc(CNC(=O)NCCCN2CCCC2=O)ccn1 ZINC000042626397 415212966 /nfs/dbraw/zinc/21/29/66/415212966.db2.gz NEUOFRVYBJFFRU-UHFFFAOYSA-N 0 0 306.366 0.902 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1nc2c(s1)CCCCC2 ZINC000042849283 415211549 /nfs/dbraw/zinc/21/15/49/415211549.db2.gz SUSBINISNYBOSW-QMMMGPOBSA-N 0 0 308.363 0.949 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 ZINC000352583702 415236038 /nfs/dbraw/zinc/23/60/38/415236038.db2.gz NIKBESCFCRSXNX-CYBMUJFWSA-N 0 0 305.334 0.201 10 0 DCAERN O=C(NCCN1CCOCC1)NC[C@@H]1COc2ccccc2O1 ZINC000045546404 415246921 /nfs/dbraw/zinc/24/69/21/415246921.db2.gz DOSRLAXJOJEKBP-CYBMUJFWSA-N 0 0 321.377 0.458 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)NCCc1ccsc1 ZINC000051270462 415313291 /nfs/dbraw/zinc/31/32/91/415313291.db2.gz SBKKRLPRHOCIGN-UHFFFAOYSA-N 0 0 319.452 0.919 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000060393843 415343514 /nfs/dbraw/zinc/34/35/14/415343514.db2.gz WFCRWEIRBLFZPI-UHFFFAOYSA-N 0 0 318.782 0.859 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000067201407 415374447 /nfs/dbraw/zinc/37/44/47/415374447.db2.gz SUXGDFWLHQUENE-KGLIPLIRSA-N 0 0 317.389 0.280 10 0 DCAERN Cc1ccc(NC(=O)NC[C@@H](C)N2CCOCC2)cc1C(N)=O ZINC000067313946 415376365 /nfs/dbraw/zinc/37/63/65/415376365.db2.gz CKWMWEXGYDQALQ-GFCCVEGCSA-N 0 0 320.393 0.936 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2nccnc2N)cn1 ZINC000275372743 415378075 /nfs/dbraw/zinc/37/80/75/415378075.db2.gz LDABTGQWDIPUIU-GXFFZTMASA-N 0 0 315.333 0.722 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275879653 415385292 /nfs/dbraw/zinc/38/52/92/415385292.db2.gz YPRRGONWOARHRW-RWMBFGLXSA-N 0 0 320.393 0.290 10 0 DCAERN Fc1cncc(CN2CCN(c3cncc4ncnn43)CC2)c1 ZINC000275866745 415385681 /nfs/dbraw/zinc/38/56/81/415385681.db2.gz XXFDUZAUNAKMQA-UHFFFAOYSA-N 0 0 313.340 0.981 10 0 DCAERN Cn1ccc(NC(=O)C(=O)NCCOc2ccc(F)cc2F)n1 ZINC000077759747 415462665 /nfs/dbraw/zinc/46/26/65/415462665.db2.gz ZOQTWWUARQBWSX-UHFFFAOYSA-N 0 0 324.287 0.832 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1=O ZINC000332754373 415465804 /nfs/dbraw/zinc/46/58/04/415465804.db2.gz JPEXFKQLDIUSCY-HZSPNIEDSA-N 0 0 324.425 0.110 10 0 DCAERN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000276334264 415472470 /nfs/dbraw/zinc/47/24/70/415472470.db2.gz LLTGGXNRNOFSQQ-BQBZGAKWSA-N 0 0 307.272 0.774 10 0 DCAERN CC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2cccnc2)C1=O ZINC000085268372 415505758 /nfs/dbraw/zinc/50/57/58/415505758.db2.gz YIYJGEKEEXBSNG-HNNXBMFYSA-N 0 0 304.350 0.763 10 0 DCAERN CCN(C(=O)COc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000085261494 415506613 /nfs/dbraw/zinc/50/66/13/415506613.db2.gz PLWZTKDIZVPMED-GFCCVEGCSA-N 0 0 312.391 0.804 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)O1 ZINC000332946159 415511834 /nfs/dbraw/zinc/51/18/34/415511834.db2.gz VHYQDAVOKMDPGB-RTXFEEFZSA-N 0 0 306.366 0.599 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCc1cccc(C)n1 ZINC000088772114 415516164 /nfs/dbraw/zinc/51/61/64/415516164.db2.gz MSOQOODDTMBFDI-UHFFFAOYSA-N 0 0 301.368 0.219 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCc3cncnc3C2)C1 ZINC000332982873 415520759 /nfs/dbraw/zinc/52/07/59/415520759.db2.gz YJGCNWUSJKPHMC-GFCCVEGCSA-N 0 0 318.381 0.348 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(O)(C3CC3)C2)o1 ZINC000089664883 415521138 /nfs/dbraw/zinc/52/11/38/415521138.db2.gz NHLWYLKJMIOUOP-UHFFFAOYSA-N 0 0 314.363 0.127 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cnc3n2CCC3)[C@@H]2COC[C@@H]21 ZINC000333075799 415549464 /nfs/dbraw/zinc/54/94/64/415549464.db2.gz KWIRKUCWAYLBDL-WDEREUQCSA-N 0 0 311.407 0.875 10 0 DCAERN CC(C)OCCn1cc(I)c(=O)[nH]c1=O ZINC000094206927 415549878 /nfs/dbraw/zinc/54/98/78/415549878.db2.gz YKTMPTDAWSSLEJ-UHFFFAOYSA-N 0 0 324.118 0.566 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000333074191 415550630 /nfs/dbraw/zinc/55/06/30/415550630.db2.gz VNRIHVPVMJEISR-ARFHVFGLSA-N 0 0 324.421 0.918 10 0 DCAERN O=C(c1cc2c(s1)CCOC2)N1CCN2C(=O)N=NC2C1 ZINC000333093216 415553417 /nfs/dbraw/zinc/55/34/17/415553417.db2.gz OQAGEUCSESJWIH-UHFFFAOYSA-N 0 0 306.347 0.774 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3ccc[nH]c3=O)CCN2C)n1 ZINC000284777881 415603827 /nfs/dbraw/zinc/60/38/27/415603827.db2.gz XWYORXKAHHXDIH-NSHDSACASA-N 0 0 303.322 0.608 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1CCO[C@@H](C(=O)OC)C1 ZINC000103148403 415611317 /nfs/dbraw/zinc/61/13/17/415611317.db2.gz IBXHSVQRDZBDPB-OAHLLOKOSA-N 0 0 320.389 0.909 10 0 DCAERN COC[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000103357130 415618454 /nfs/dbraw/zinc/61/84/54/415618454.db2.gz AKLXAZBVIWXMJQ-SNVBAGLBSA-N 0 0 300.380 0.275 10 0 DCAERN CCC(=O)N1CCN(C(=O)Nc2nc(C)cc(N(C)C)n2)C1 ZINC000333377902 415628072 /nfs/dbraw/zinc/62/80/72/415628072.db2.gz KADWQZYTLIJJBD-UHFFFAOYSA-N 0 0 306.370 0.895 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000333374679 415630046 /nfs/dbraw/zinc/63/00/46/415630046.db2.gz DQUYZGNYCBZQRP-JLJPHGGASA-N 0 0 304.390 0.917 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)N1CCN(C2CC2)CC1 ZINC000105157869 415630180 /nfs/dbraw/zinc/63/01/80/415630180.db2.gz QMPLUNIXPDSNGW-UHFFFAOYSA-N 0 0 304.398 0.604 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@H]21 ZINC000286885535 415640540 /nfs/dbraw/zinc/64/05/40/415640540.db2.gz DOMXTVLXWQOFQL-TZMCWYRMSA-N 0 0 317.345 0.666 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000333418689 415643003 /nfs/dbraw/zinc/64/30/03/415643003.db2.gz SETMKXDBNGRFHY-DYEKYZERSA-N 0 0 303.378 0.523 10 0 DCAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCOCCO)C1 ZINC000096746481 415580474 /nfs/dbraw/zinc/58/04/74/415580474.db2.gz LSPYSPLFMWSJIC-LBPRGKRZSA-N 0 0 316.398 0.759 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333216532 415586132 /nfs/dbraw/zinc/58/61/32/415586132.db2.gz VPNNIERCGBYNON-KXNHARMFSA-N 0 0 322.452 0.258 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000098039045 415591289 /nfs/dbraw/zinc/59/12/89/415591289.db2.gz OYVWFLLJWDFVFY-RKDXNWHRSA-N 0 0 305.425 0.895 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000283997299 415593114 /nfs/dbraw/zinc/59/31/14/415593114.db2.gz IEKPSRMFSBDRRO-IOASZLSFSA-N 0 0 318.373 0.758 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)CCS(C)(=O)=O ZINC000106916962 415657690 /nfs/dbraw/zinc/65/76/90/415657690.db2.gz GOTXUULSKKLJGE-CQSZACIVSA-N 0 0 312.435 0.662 10 0 DCAERN COCCSCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000107073878 415658602 /nfs/dbraw/zinc/65/86/02/415658602.db2.gz DLXFQDMUTNFWHD-UHFFFAOYSA-N 0 0 312.395 0.203 10 0 DCAERN CC[C@@]1(CO)CCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000333477759 415661745 /nfs/dbraw/zinc/66/17/45/415661745.db2.gz XIKVBOGFIBQHSO-INIZCTEOSA-N 0 0 307.394 0.900 10 0 DCAERN CC(C)[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(N)=O ZINC000107311205 415663142 /nfs/dbraw/zinc/66/31/42/415663142.db2.gz CHDABEZFVRHVGO-JTQLQIEISA-N 0 0 305.787 0.664 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000108459312 415681120 /nfs/dbraw/zinc/68/11/20/415681120.db2.gz CICSSJDBJWKIKX-GXTWGEPZSA-N 0 0 312.391 0.901 10 0 DCAERN O=C(NC[C@H]1CCCC1(F)F)N[C@H]1COC[C@H]1n1ccnn1 ZINC000333561527 415684459 /nfs/dbraw/zinc/68/44/59/415684459.db2.gz WJORBOJPRDEKJZ-OUAUKWLOSA-N 0 0 315.324 0.953 10 0 DCAERN COc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000115164897 415723844 /nfs/dbraw/zinc/72/38/44/415723844.db2.gz KALOEOBWXRPHPO-CYBMUJFWSA-N 0 0 306.362 0.994 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315290 415729562 /nfs/dbraw/zinc/72/95/62/415729562.db2.gz PABXHEPNIIZXKO-CQSZACIVSA-N 0 0 316.409 0.602 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCc2ccccc2C1=O)N1CCN(C)CC1 ZINC000333759288 415730131 /nfs/dbraw/zinc/73/01/31/415730131.db2.gz VHUFMMAPBZXPSI-XJKSGUPXSA-N 0 0 315.417 0.936 10 0 DCAERN CCOCCN1CCN(C(=O)NCCc2nc(C)no2)CC1 ZINC000111849176 415699135 /nfs/dbraw/zinc/69/91/35/415699135.db2.gz WQYGLGAFZHTGAI-UHFFFAOYSA-N 0 0 311.386 0.284 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112064221 415700964 /nfs/dbraw/zinc/70/09/64/415700964.db2.gz VZSGSHVYDCTNCP-CYBMUJFWSA-N 0 0 308.382 0.335 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112117914 415705224 /nfs/dbraw/zinc/70/52/24/415705224.db2.gz ZQXMQZQCZYKDII-AWEZNQCLSA-N 0 0 322.409 0.725 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112653565 415713266 /nfs/dbraw/zinc/71/32/66/415713266.db2.gz VTPMKJYOJRTYLA-LBPRGKRZSA-N 0 0 302.382 0.692 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@@H](CCO)CC1 ZINC000333809852 415744106 /nfs/dbraw/zinc/74/41/06/415744106.db2.gz ZZEVCUXTTAFANB-HZSPNIEDSA-N 0 0 323.397 0.412 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC23CC3)cc1 ZINC000425323784 287316433 /nfs/dbraw/zinc/31/64/33/287316433.db2.gz LNRYBGKTMBYOCL-CYBMUJFWSA-N 0 0 322.386 0.836 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000120350239 415763056 /nfs/dbraw/zinc/76/30/56/415763056.db2.gz ZOPHFZNUVKZNTB-DGCLKSJQSA-N 0 0 319.361 0.365 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCS1(=O)=O ZINC000122306996 415829641 /nfs/dbraw/zinc/82/96/41/415829641.db2.gz YGLAEHWHOTVDCQ-FZMZJTMJSA-N 0 0 322.386 0.825 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000122999681 415839672 /nfs/dbraw/zinc/83/96/72/415839672.db2.gz MRSBDHIISBDJEE-UHFFFAOYSA-N 0 0 321.425 0.910 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000123326487 415843735 /nfs/dbraw/zinc/84/37/35/415843735.db2.gz HGJBEKOVRKNFAW-KBPBESRZSA-N 0 0 319.471 0.352 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCO)ncn1 ZINC000121025514 415790015 /nfs/dbraw/zinc/79/00/15/415790015.db2.gz NFVPKYWYIXNNGU-VXGBXAGGSA-N 0 0 322.413 0.557 10 0 DCAERN COCc1ccccc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000121363025 415801587 /nfs/dbraw/zinc/80/15/87/415801587.db2.gz FVECUOKCICAQOG-AWEZNQCLSA-N 0 0 308.378 0.256 10 0 DCAERN C[C@H]1CN(C(=O)NCCOc2ccccc2)CCS1(=O)=O ZINC000121665767 415812689 /nfs/dbraw/zinc/81/26/89/415812689.db2.gz XJJANVOGJNWVCZ-LBPRGKRZSA-N 0 0 312.391 0.894 10 0 DCAERN CCS(=O)(=O)NCc1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000121616838 415814146 /nfs/dbraw/zinc/81/41/46/415814146.db2.gz PDFBUKDYLMTEKO-LLVKDONJSA-N 0 0 314.407 0.627 10 0 DCAERN C[C@@H]1CN(C(=O)COc2ccccc2F)CCS1(=O)=O ZINC000121697794 415816844 /nfs/dbraw/zinc/81/68/44/415816844.db2.gz DBZRRZHPZGHPTL-SNVBAGLBSA-N 0 0 301.339 0.850 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000336810823 415820086 /nfs/dbraw/zinc/82/00/86/415820086.db2.gz JPTPWASHEKLBPA-BDAKNGLRSA-N 0 0 307.803 0.903 10 0 DCAERN COCCN(C)S(=O)(=O)NCc1ccn(C2CCCC2)n1 ZINC000125715055 415867681 /nfs/dbraw/zinc/86/76/81/415867681.db2.gz YUIHGMWGHBUHDY-UHFFFAOYSA-N 0 0 316.427 0.911 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000127343815 415886137 /nfs/dbraw/zinc/88/61/37/415886137.db2.gz XXDIYWOKVOYTDX-JHJVBQTASA-N 0 0 315.439 0.852 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1nc2ccccc2c(=O)[nH]1 ZINC000127789594 415892247 /nfs/dbraw/zinc/89/22/47/415892247.db2.gz RYDQEPLULNVEEB-MRXNPFEDSA-N 0 0 317.345 0.442 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1Cc1nnnn1CC(F)(F)F ZINC000344357537 415896998 /nfs/dbraw/zinc/89/69/98/415896998.db2.gz CWHLOPCVILRCFX-DTWKUNHWSA-N 0 0 309.292 0.471 10 0 DCAERN CN(C)c1cccc(CNC(=O)c2cc(C(N)=O)cn2C)n1 ZINC000129557108 415910482 /nfs/dbraw/zinc/91/04/82/415910482.db2.gz QRTRDABRUOXJLD-UHFFFAOYSA-N 0 0 301.350 0.515 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000130701194 415920217 /nfs/dbraw/zinc/92/02/17/415920217.db2.gz FCJQUDZUXBVHQC-NWDGAFQWSA-N 0 0 300.399 0.489 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000356433800 415921452 /nfs/dbraw/zinc/92/14/52/415921452.db2.gz XAZJDDREWRZWOO-CBBWQLFWSA-N 0 0 324.421 0.774 10 0 DCAERN COC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000130828723 415923451 /nfs/dbraw/zinc/92/34/51/415923451.db2.gz JRZHUEZWMPSAFA-AWEZNQCLSA-N 0 0 308.378 0.547 10 0 DCAERN Cn1nccc1C1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000124928081 415856313 /nfs/dbraw/zinc/85/63/13/415856313.db2.gz XSOPWRDSZDGWEJ-UHFFFAOYSA-N 0 0 303.366 0.734 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2c(F)ccc(F)c2F)C1 ZINC000125042248 415857059 /nfs/dbraw/zinc/85/70/59/415857059.db2.gz DGKAXTKJEGBOHC-ZETCQYMHSA-N 0 0 322.308 0.868 10 0 DCAERN COc1ccc(OCCCn2nc(C(N)=O)ccc2=O)cc1 ZINC000133505370 415945620 /nfs/dbraw/zinc/94/56/20/415945620.db2.gz MMXKJKBWOYPYBD-UHFFFAOYSA-N 0 0 303.318 0.820 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccccc2-n2cnnn2)CCC1=O ZINC000133698558 415947997 /nfs/dbraw/zinc/94/79/97/415947997.db2.gz XEMYRZAKFGFQTQ-JTQLQIEISA-N 0 0 300.322 0.013 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1cnc2ccccc2c1 ZINC000133721463 415948658 /nfs/dbraw/zinc/94/86/58/415948658.db2.gz XNIDDCUWDWPEBP-HIFRSBDPSA-N 0 0 314.341 0.912 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCC1=O ZINC000133838947 415951685 /nfs/dbraw/zinc/95/16/85/415951685.db2.gz ZGTCFRAJFXWTFV-AAEUAGOBSA-N 0 0 302.330 0.505 10 0 DCAERN O=C(Nc1ccc2ncsc2c1)C(=O)N1CCNC(=O)CC1 ZINC000133768081 415952228 /nfs/dbraw/zinc/95/22/28/415952228.db2.gz RWVSEKUVUBMAFY-UHFFFAOYSA-N 0 0 318.358 0.583 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000134133154 415954092 /nfs/dbraw/zinc/95/40/92/415954092.db2.gz ZOIFRKYJYYPCLT-LURJTMIESA-N 0 0 307.326 0.928 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000150851068 415962714 /nfs/dbraw/zinc/96/27/14/415962714.db2.gz CKGSQJQHLBKWIF-AWEZNQCLSA-N 0 0 308.426 0.875 10 0 DCAERN CCN(Cc1nsc(N(C)C)n1)[C@H](C)CS(C)(=O)=O ZINC000151271540 415964647 /nfs/dbraw/zinc/96/46/47/415964647.db2.gz RRBDIGZNPVJOME-SECBINFHSA-N 0 0 306.457 0.859 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCCN2CCC2)c1 ZINC000337488297 415968081 /nfs/dbraw/zinc/96/80/81/415968081.db2.gz BKQXVOGRBGXKJL-UHFFFAOYSA-N 0 0 318.377 0.430 10 0 DCAERN Cc1cc(C)c(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C)c1 ZINC000152666987 415968335 /nfs/dbraw/zinc/96/83/35/415968335.db2.gz SIPDGAOZLDOQLW-CQSZACIVSA-N 0 0 301.390 0.754 10 0 DCAERN CCCn1cc(CN2CCCN(S(N)(=O)=O)CC2)cn1 ZINC000153272515 415979316 /nfs/dbraw/zinc/97/93/16/415979316.db2.gz SRKICQHQSDZSAB-UHFFFAOYSA-N 0 0 301.416 0.004 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000153577784 415984404 /nfs/dbraw/zinc/98/44/04/415984404.db2.gz QKYMVOWLUYSRFK-NEPJUHHUSA-N 0 0 310.423 0.947 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153735200 415988028 /nfs/dbraw/zinc/98/80/28/415988028.db2.gz MOWQEFGRAIFCSD-UHFFFAOYSA-N 0 0 320.397 0.541 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000153773314 415988302 /nfs/dbraw/zinc/98/83/02/415988302.db2.gz IWLITYYLQWLEFS-YUELXQCFSA-N 0 0 315.373 0.885 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CN(C)CCO2)c(C(F)(F)F)n1 ZINC000153942254 415988895 /nfs/dbraw/zinc/98/88/95/415988895.db2.gz VNKRHWSMEMCJCX-VIFPVBQESA-N 0 0 306.288 0.386 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000344822092 415993386 /nfs/dbraw/zinc/99/33/86/415993386.db2.gz KCBTWFVEDRYTKA-KOLCDFICSA-N 0 0 312.395 0.093 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC)CC2 ZINC000158591246 415999412 /nfs/dbraw/zinc/99/94/12/415999412.db2.gz FVLPPALBQABTEW-QWRGUYRKSA-N 0 0 320.397 0.075 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132822361 415935213 /nfs/dbraw/zinc/93/52/13/415935213.db2.gz ZEEIWZFMXRXITB-NEPJUHHUSA-N 0 0 322.413 0.587 10 0 DCAERN CCOCCOCC(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000171871808 416041661 /nfs/dbraw/zinc/04/16/61/416041661.db2.gz ZLHCZDCGFPTGTE-UHFFFAOYSA-N 0 0 308.378 0.894 10 0 DCAERN CCOC(=O)CCCS(=O)(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357200131 416044129 /nfs/dbraw/zinc/04/41/29/416044129.db2.gz IILPQRYPGHMWRO-NSHDSACASA-N 0 0 320.411 0.212 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2C)[C@H](C)C1 ZINC000357205843 416044939 /nfs/dbraw/zinc/04/49/39/416044939.db2.gz QBWZSUWALMRHSA-VXGBXAGGSA-N 0 0 303.428 0.658 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CC2CCOCC2)[C@H](C)C1 ZINC000357203542 416045995 /nfs/dbraw/zinc/04/59/95/416045995.db2.gz UMERHXUTWAUVPE-LLVKDONJSA-N 0 0 304.412 0.295 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760506 416047052 /nfs/dbraw/zinc/04/70/52/416047052.db2.gz UUQYJLVVVVFZIL-AWEZNQCLSA-N 0 0 309.410 0.226 10 0 DCAERN CCc1cnc(CCNC(=O)C(C)(C)NS(C)(=O)=O)s1 ZINC000173031271 416052345 /nfs/dbraw/zinc/05/23/45/416052345.db2.gz BMTRPLAHKZZYDQ-UHFFFAOYSA-N 0 0 319.452 0.692 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000173268353 416055452 /nfs/dbraw/zinc/05/54/52/416055452.db2.gz QGGJHKZFXYVETN-TVQRCGJNSA-N 0 0 307.398 0.498 10 0 DCAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)N3CCCCC3)CCO2)[nH]1 ZINC000173352358 416057501 /nfs/dbraw/zinc/05/75/01/416057501.db2.gz RPKOYLSNUFPZHE-AAEUAGOBSA-N 0 0 307.398 0.887 10 0 DCAERN CC(=O)N1CCN(CCn2nc3ccccn3c2=O)[C@@H](C)C1 ZINC000357295991 416058418 /nfs/dbraw/zinc/05/84/18/416058418.db2.gz DHQNKIFMAJAIMG-LBPRGKRZSA-N 0 0 303.366 0.049 10 0 DCAERN CC(=O)N1CCN(C[C@@H](O)COC2CCOCC2)[C@H](C)C1 ZINC000357296441 416058631 /nfs/dbraw/zinc/05/86/31/416058631.db2.gz BVYSFZDMLGKMOO-TZMCWYRMSA-N 0 0 300.399 0.096 10 0 DCAERN CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccc[nH]1 ZINC000173518501 416060589 /nfs/dbraw/zinc/06/05/89/416060589.db2.gz BJJJVIIOMVVWQA-UHFFFAOYSA-N 0 0 314.388 0.897 10 0 DCAERN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173606491 416062598 /nfs/dbraw/zinc/06/25/98/416062598.db2.gz GPCRMVCWUDWHIC-OLZOCXBDSA-N 0 0 307.398 0.887 10 0 DCAERN CCCS(=O)(=O)CCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173674555 416064402 /nfs/dbraw/zinc/06/44/02/416064402.db2.gz BETJRSAEBHMJDV-LLVKDONJSA-N 0 0 302.400 0.311 10 0 DCAERN CCCCS(=O)(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000173740160 416064691 /nfs/dbraw/zinc/06/46/91/416064691.db2.gz LVHTVMUWMRPEFF-SNVBAGLBSA-N 0 0 302.400 0.870 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)ccn1 ZINC000173773063 416065401 /nfs/dbraw/zinc/06/54/01/416065401.db2.gz MIFMJGVCADRVNM-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN CCC[C@@H](CCO)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000173826746 416065679 /nfs/dbraw/zinc/06/56/79/416065679.db2.gz UQZOKMOSCABFIZ-KBPBESRZSA-N 0 0 301.431 0.805 10 0 DCAERN CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173952502 416069743 /nfs/dbraw/zinc/06/97/43/416069743.db2.gz DBRKUQVDGYTMIZ-MRXNPFEDSA-N 0 0 303.406 0.953 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@H]1c1ccc(C)o1 ZINC000357384245 416070666 /nfs/dbraw/zinc/07/06/66/416070666.db2.gz SWZMJXMPFQSBIB-RDBSUJKOSA-N 0 0 322.361 0.470 10 0 DCAERN C[C@H](CNC(=O)NCCS(N)(=O)=O)c1ccc(F)cc1F ZINC000174033396 416072712 /nfs/dbraw/zinc/07/27/12/416072712.db2.gz NYGFXAHWZIPTQJ-MRVPVSSYSA-N 0 0 321.349 0.656 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174008064 416072762 /nfs/dbraw/zinc/07/27/62/416072762.db2.gz NOBBBKHBCGMXLU-AWEZNQCLSA-N 0 0 317.389 0.867 10 0 DCAERN NS(=O)(=O)c1cnc(N2CCN3CCCC[C@H]3C2)s1 ZINC000301220712 416078225 /nfs/dbraw/zinc/07/82/25/416078225.db2.gz BJZBEMGCJVJKNJ-VIFPVBQESA-N 0 0 302.425 0.465 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NC[C@H](O)C(C)C)c1 ZINC000158845999 416002609 /nfs/dbraw/zinc/00/26/09/416002609.db2.gz OFEMHAOVLVIJIZ-ZDUSSCGKSA-N 0 0 315.391 0.910 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000356938806 416009411 /nfs/dbraw/zinc/00/94/11/416009411.db2.gz QHCQASQXTLTDAV-AVGNSLFASA-N 0 0 311.426 0.469 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1CCSCC1 ZINC000356942872 416009440 /nfs/dbraw/zinc/00/94/40/416009440.db2.gz CGOQZVIGKLQWLQ-JQWIXIFHSA-N 0 0 300.424 0.475 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000166894579 416022764 /nfs/dbraw/zinc/02/27/64/416022764.db2.gz IZPNLOUFTRCIAJ-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000170822873 416033414 /nfs/dbraw/zinc/03/34/14/416033414.db2.gz WVPVLZMKXPQNIF-XVKPBYJWSA-N 0 0 314.338 0.692 10 0 DCAERN CSCC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000171356327 416039216 /nfs/dbraw/zinc/03/92/16/416039216.db2.gz XQKJCRLHLWPVLW-UHFFFAOYSA-N 0 0 305.363 0.685 10 0 DCAERN C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)c(F)c1 ZINC000174599848 416082088 /nfs/dbraw/zinc/08/20/88/416082088.db2.gz SWFDDNFCSKBCCM-RXMQYKEDSA-N 0 0 310.260 0.415 10 0 DCAERN Cc1nc2ccccc2n1CCC(=O)N[C@H]1CN(C)NC1=O ZINC000357460094 416083609 /nfs/dbraw/zinc/08/36/09/416083609.db2.gz QDYIRQARKDBYHR-LBPRGKRZSA-N 0 0 301.350 0.196 10 0 DCAERN CC[C@](C)(O)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000174766119 416085859 /nfs/dbraw/zinc/08/58/59/416085859.db2.gz XQYVEXHWCHOVHA-INIZCTEOSA-N 0 0 322.409 0.979 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000174854451 416087455 /nfs/dbraw/zinc/08/74/55/416087455.db2.gz RHRSHDAHNZLEFD-CYBMUJFWSA-N 0 0 313.361 0.594 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000174819467 416088790 /nfs/dbraw/zinc/08/87/90/416088790.db2.gz MYBAEXRWWIQDQH-LBPRGKRZSA-N 0 0 311.426 0.866 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000174916167 416090333 /nfs/dbraw/zinc/09/03/33/416090333.db2.gz ODNMXPGAUCFUKP-JTQLQIEISA-N 0 0 307.350 0.793 10 0 DCAERN Cc1ccnc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000301801677 416092030 /nfs/dbraw/zinc/09/20/30/416092030.db2.gz SUNQVOKPSPGHLX-AWEZNQCLSA-N 0 0 319.409 0.154 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)NCCc1ccsc1 ZINC000174987453 416093003 /nfs/dbraw/zinc/09/30/03/416093003.db2.gz WFTTXNBQYNYWDS-UHFFFAOYSA-N 0 0 320.436 0.651 10 0 DCAERN COC[C@@H](O)CNS(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000338433462 416097563 /nfs/dbraw/zinc/09/75/63/416097563.db2.gz YIGZKKFHKCQHCM-ZDUSSCGKSA-N 0 0 320.455 0.874 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000175294604 416102669 /nfs/dbraw/zinc/10/26/69/416102669.db2.gz SUAUKTOSQQPRHN-GFCCVEGCSA-N 0 0 324.402 0.878 10 0 DCAERN CN(C)CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000175455529 416106022 /nfs/dbraw/zinc/10/60/22/416106022.db2.gz QZBHXVMLVMPGPO-UHFFFAOYSA-N 0 0 318.421 0.503 10 0 DCAERN Cc1cc(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)on1 ZINC000312415266 416106141 /nfs/dbraw/zinc/10/61/41/416106141.db2.gz RKLGHUFFHBLSGP-VIFPVBQESA-N 0 0 315.317 0.895 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313659360 416108942 /nfs/dbraw/zinc/10/89/42/416108942.db2.gz FJXKBTHPKCNIMO-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@](O)(CO)C1 ZINC000313651197 416109662 /nfs/dbraw/zinc/10/96/62/416109662.db2.gz BHMHTHJAVKGYNI-LBPRGKRZSA-N 0 0 307.318 0.473 10 0 DCAERN O=S(=O)(NCC1CC1)c1ccc(NCCc2cn[nH]c2)nc1 ZINC000357633367 416109896 /nfs/dbraw/zinc/10/98/96/416109896.db2.gz XEWOWOLQXSOYAU-UHFFFAOYSA-N 0 0 321.406 1.148 10 0 DCAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206441 416156255 /nfs/dbraw/zinc/15/62/55/416156255.db2.gz YDUZKULIUOWRAX-YIYPIFLZSA-N 0 0 314.451 0.895 10 0 DCAERN COC[C@H](CO)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000357691118 416115952 /nfs/dbraw/zinc/11/59/52/416115952.db2.gz QCAZEJJMRVQYBP-LBPRGKRZSA-N 0 0 319.365 0.325 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2)C[C@H]1O ZINC000328606232 416123353 /nfs/dbraw/zinc/12/33/53/416123353.db2.gz QUHAEIZQJZJCMJ-BYNSBNAKSA-N 0 0 318.373 0.378 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000176427640 416125473 /nfs/dbraw/zinc/12/54/73/416125473.db2.gz CXEGIDNTVFMIQG-CQSZACIVSA-N 0 0 311.426 0.768 10 0 DCAERN Cc1c(NC(=O)C(=O)NC[C@](C)(O)CCC(C)C)cnn1C ZINC000176640779 416131238 /nfs/dbraw/zinc/13/12/38/416131238.db2.gz ZZCRJOILYDUACF-OAHLLOKOSA-N 0 0 310.398 0.970 10 0 DCAERN COCCCS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000176991419 416138445 /nfs/dbraw/zinc/13/84/45/416138445.db2.gz XAKZSTTZSASUKE-OLZOCXBDSA-N 0 0 306.428 0.005 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CCc3nnc[nH]3)C2)cn1 ZINC000177230272 416142322 /nfs/dbraw/zinc/14/23/22/416142322.db2.gz SQJHYWNURYJWGF-NSHDSACASA-N 0 0 303.370 0.256 10 0 DCAERN COCCOC[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357880787 416146346 /nfs/dbraw/zinc/14/63/46/416146346.db2.gz QPESYDKTYDJVON-RYUDHWBXSA-N 0 0 301.387 0.300 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000178155244 416157231 /nfs/dbraw/zinc/15/72/31/416157231.db2.gz XJGZUSDJGZSMQW-RISCZKNCSA-N 0 0 306.362 0.995 10 0 DCAERN CNC(=O)Cc1nc(CN2CCNC(=O)[C@H]2C(C)C)cs1 ZINC000177595669 416148010 /nfs/dbraw/zinc/14/80/10/416148010.db2.gz BWBSPQSZEDUECK-CYBMUJFWSA-N 0 0 310.423 0.388 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccn(C)n2)C[C@H](C)S1(=O)=O ZINC000357897735 416149217 /nfs/dbraw/zinc/14/92/17/416149217.db2.gz XCTSAASDAZQOGM-AOOOYVTPSA-N 0 0 300.384 0.137 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC[C@@H]2Cn2ccnc2)CC1=O ZINC000177759025 416151116 /nfs/dbraw/zinc/15/11/16/416151116.db2.gz NKXXXRHFVNTOEG-UONOGXRCSA-N 0 0 320.393 0.369 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)n(C)n1 ZINC000177716782 416151699 /nfs/dbraw/zinc/15/16/99/416151699.db2.gz FNMAJADFLYWMTQ-JSGCOSHPSA-N 0 0 314.345 0.442 10 0 DCAERN CCC[C@H](O)CNC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000177873213 416152555 /nfs/dbraw/zinc/15/25/55/416152555.db2.gz CATKRYSMKMHXIQ-ZDUSSCGKSA-N 0 0 322.409 0.979 10 0 DCAERN COCc1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)o1 ZINC000177842469 416152793 /nfs/dbraw/zinc/15/27/93/416152793.db2.gz GLFIKEJPGFTJQC-UHFFFAOYSA-N 0 0 318.333 0.649 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnc(-c2ccco2)s1 ZINC000178563183 416166722 /nfs/dbraw/zinc/16/67/22/416166722.db2.gz KCVMDOLKMSSNJQ-SSDOTTSWSA-N 0 0 305.315 0.938 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CN1CCCCCCC1=O ZINC000182867452 416233114 /nfs/dbraw/zinc/23/31/14/416233114.db2.gz MHDDQABYSIEGJR-OAHLLOKOSA-N 0 0 300.399 0.683 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ccccc1OC)C(C)C ZINC000178926559 416177746 /nfs/dbraw/zinc/17/77/46/416177746.db2.gz UCCCRDAFKRFZHG-GFCCVEGCSA-N 0 0 300.380 0.744 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000178986816 416178614 /nfs/dbraw/zinc/17/86/14/416178614.db2.gz CODDTQXZYVGILP-GFCCVEGCSA-N 0 0 312.391 0.975 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c(F)c1 ZINC000178957466 416179714 /nfs/dbraw/zinc/17/97/14/416179714.db2.gz XAXATSDEHGGEGJ-GFCCVEGCSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178965044 416179886 /nfs/dbraw/zinc/17/98/86/416179886.db2.gz UYIVKUHDACMRJD-ZDUSSCGKSA-N 0 0 320.368 0.189 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(Cc2nnc(C(C)C)n2C)C1 ZINC000179462156 416188183 /nfs/dbraw/zinc/18/81/83/416188183.db2.gz YPZWIOMVVACBCB-LLVKDONJSA-N 0 0 315.443 0.452 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000179497213 416189560 /nfs/dbraw/zinc/18/95/60/416189560.db2.gz LGIPIRZUPDNMLN-OAHLLOKOSA-N 0 0 316.365 0.719 10 0 DCAERN COC[C@@H](CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)OC ZINC000358096201 416190757 /nfs/dbraw/zinc/19/07/57/416190757.db2.gz FEUMYKMDZDSPFK-KOLCDFICSA-N 0 0 314.304 0.747 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)[C@H](C)C(=O)N(C)[C@@H]1CCOC1 ZINC000330056346 416194387 /nfs/dbraw/zinc/19/43/87/416194387.db2.gz VSNAIMOFTMLJQB-IGQOVBAYSA-N 0 0 312.410 0.753 10 0 DCAERN COCCN1C[C@@H](C(=O)NCc2ccc3cc[nH]c3n2)CC1=O ZINC000358413263 416233938 /nfs/dbraw/zinc/23/39/38/416233938.db2.gz NWEPBAWLWSJNMF-LBPRGKRZSA-N 0 0 316.361 0.674 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000180269435 416195983 /nfs/dbraw/zinc/19/59/83/416195983.db2.gz QNFGHCOYOXMBOO-PSKZRQQASA-N 0 0 311.341 0.961 10 0 DCAERN O=C(Cc1ccc(O)cc1Cl)NCC(=O)N1CCOCC1 ZINC000181049236 416202979 /nfs/dbraw/zinc/20/29/79/416202979.db2.gz RNJKCJQNGSMOTA-UHFFFAOYSA-N 0 0 312.753 0.563 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3ncnn3C)CCO2)n1 ZINC000181278351 416204085 /nfs/dbraw/zinc/20/40/85/416204085.db2.gz QLGJLTCYMLWQII-LBPRGKRZSA-N 0 0 319.369 0.561 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000181065316 416204327 /nfs/dbraw/zinc/20/43/27/416204327.db2.gz NSOSFBFUPXOMRE-XHDPSFHLSA-N 0 0 304.346 0.526 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)NCCCc2cccc(F)c2)CCO1 ZINC000181621025 416209165 /nfs/dbraw/zinc/20/91/65/416209165.db2.gz XSVDSAIFHSREBD-CQSZACIVSA-N 0 0 323.368 0.915 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCCOCCO ZINC000181609407 416210340 /nfs/dbraw/zinc/21/03/40/416210340.db2.gz PDNUHZKUMXQWGX-LLVKDONJSA-N 0 0 312.414 0.666 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000426906041 287325170 /nfs/dbraw/zinc/32/51/70/287325170.db2.gz ARQJSMPXFPUUPD-SECBINFHSA-N 0 0 313.379 0.076 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000182181064 416215403 /nfs/dbraw/zinc/21/54/03/416215403.db2.gz MOQPFNPARRUZLL-GFCCVEGCSA-N 0 0 321.377 0.930 10 0 DCAERN O=C(Cn1cc(Br)cn1)NC[C@H](CO)C1CC1 ZINC000358337064 416224848 /nfs/dbraw/zinc/22/48/48/416224848.db2.gz LPYADRSXQGUSNC-SECBINFHSA-N 0 0 302.172 0.780 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182669185 416227957 /nfs/dbraw/zinc/22/79/57/416227957.db2.gz CYLFXAYBXLUPAY-NSHDSACASA-N 0 0 300.384 0.691 10 0 DCAERN CCOC(=O)CCCNC(=O)CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182748846 416228834 /nfs/dbraw/zinc/22/88/34/416228834.db2.gz ZJQXOJSXFSEQDG-GFCCVEGCSA-N 0 0 323.397 0.791 10 0 DCAERN COCC(=O)N[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)C(C)C ZINC000178298874 416160665 /nfs/dbraw/zinc/16/06/65/416160665.db2.gz DZAZJPGPCXOLLL-BPUTZDHNSA-N 0 0 320.389 0.548 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000182832958 416232836 /nfs/dbraw/zinc/23/28/36/416232836.db2.gz HWYTVJFDRIRCGP-LRDDRELGSA-N 0 0 312.410 0.681 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NCCC1(F)CCC1 ZINC000345872343 416162826 /nfs/dbraw/zinc/16/28/26/416162826.db2.gz WDGNUCHVFKDEBQ-UHFFFAOYSA-N 0 0 303.359 0.685 10 0 DCAERN O=C(/C=C/c1cnc2ccccc2n1)NC[C@H]1CN2CCN1CC2 ZINC000178618006 416165473 /nfs/dbraw/zinc/16/54/73/416165473.db2.gz WFKCSBLWQQDLBI-NFAHFFEMSA-N 0 0 323.400 0.759 10 0 DCAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(CO)CO)cc1 ZINC000183523827 416243923 /nfs/dbraw/zinc/24/39/23/416243923.db2.gz IDIAJVCSRVYHGQ-ZWNOBZJWSA-N 0 0 306.362 0.754 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000341858720 416244163 /nfs/dbraw/zinc/24/41/63/416244163.db2.gz ITZWRVNBOHQXGM-DGCLKSJQSA-N 0 0 309.410 0.664 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1ccon1 ZINC000183722287 416249061 /nfs/dbraw/zinc/24/90/61/416249061.db2.gz INWQCBXGIXBIJZ-UHFFFAOYSA-N 0 0 306.297 0.975 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000185628581 416253872 /nfs/dbraw/zinc/25/38/72/416253872.db2.gz YVTKSOSJMUNGID-SNVBAGLBSA-N 0 0 302.327 0.009 10 0 DCAERN COc1cc(N2CCN(C(=O)CCCC(C)=O)CC2)ncn1 ZINC000187485191 416259848 /nfs/dbraw/zinc/25/98/48/416259848.db2.gz VIPASJSRKLWVCD-UHFFFAOYSA-N 0 0 306.366 0.893 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)NC(=O)NC3CC3)CC2)n[nH]1 ZINC000187169169 416259924 /nfs/dbraw/zinc/25/99/24/416259924.db2.gz IVJDGXZOKHUQDU-LLVKDONJSA-N 0 0 320.397 0.217 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187192179 416261225 /nfs/dbraw/zinc/26/12/25/416261225.db2.gz UQCUVIXRKDWIBZ-ZIAGYGMSSA-N 0 0 321.425 0.524 10 0 DCAERN NC(=O)c1coc(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000189657716 416268995 /nfs/dbraw/zinc/26/89/95/416268995.db2.gz NZYLZQHJWIRUOE-UHFFFAOYSA-N 0 0 323.255 0.912 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1=O ZINC000189819447 416271978 /nfs/dbraw/zinc/27/19/78/416271978.db2.gz BQMGLOUGIHFOSO-BDAKNGLRSA-N 0 0 321.299 0.134 10 0 DCAERN Cc1csc2c1ncnc2N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000189985811 416273237 /nfs/dbraw/zinc/27/32/37/416273237.db2.gz NVWSEVGMXZHNRU-VIFPVBQESA-N 0 0 317.374 0.147 10 0 DCAERN Cn1ccc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000183008469 416235485 /nfs/dbraw/zinc/23/54/85/416235485.db2.gz ZLWAGKNHORKSSQ-CYBMUJFWSA-N 0 0 320.393 0.060 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)c1nc[nH]n1 ZINC000183207233 416238272 /nfs/dbraw/zinc/23/82/72/416238272.db2.gz MWSVHOLGZJYDEI-LURJTMIESA-N 0 0 304.763 0.540 10 0 DCAERN C[C@H](NCC(=O)N1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000183357964 416239681 /nfs/dbraw/zinc/23/96/81/416239681.db2.gz KGRUUWIGHNHVCP-ZDUSSCGKSA-N 0 0 315.377 0.777 10 0 DCAERN O=C(CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1)NC1CC1 ZINC000192527782 416306697 /nfs/dbraw/zinc/30/66/97/416306697.db2.gz PFKXKXRDJZBBMY-UHFFFAOYSA-N 0 0 300.318 0.501 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000192632688 416308949 /nfs/dbraw/zinc/30/89/49/416308949.db2.gz AZCSBPBVXBVNQI-VOAKCMCISA-N 0 0 318.439 0.493 10 0 DCAERN O=C(Nc1ccc2cc[nH]c2c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000192739853 416309481 /nfs/dbraw/zinc/30/94/81/416309481.db2.gz BECKIKWRRAQBJG-GFCCVEGCSA-N 0 0 314.345 0.891 10 0 DCAERN CCC(C)(C)NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000192817984 416311151 /nfs/dbraw/zinc/31/11/51/416311151.db2.gz YWSLJNQADGHNDM-UHFFFAOYSA-N 0 0 302.338 0.906 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193171491 416312403 /nfs/dbraw/zinc/31/24/03/416312403.db2.gz SDBSPRJCEVAWSS-QMMMGPOBSA-N 0 0 317.333 0.520 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000193352420 416316023 /nfs/dbraw/zinc/31/60/23/416316023.db2.gz AKJRJKHHVIXZIS-IUIKQTSFSA-N 0 0 302.374 0.942 10 0 DCAERN CC(=O)c1cn(Cc2ccc3[nH]c(C)nc3c2)c(=O)n(C)c1=O ZINC000358856362 416285726 /nfs/dbraw/zinc/28/57/26/416285726.db2.gz VKNBUZYRISWTEO-UHFFFAOYSA-N 0 0 312.329 0.983 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000331213218 416287909 /nfs/dbraw/zinc/28/79/09/416287909.db2.gz TXSOGNLXJDEYIL-CYBMUJFWSA-N 0 0 319.405 0.808 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000359587686 416351938 /nfs/dbraw/zinc/35/19/38/416351938.db2.gz FUZCROLFFWTEHF-RISCZKNCSA-N 0 0 309.410 0.223 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000359715721 416354815 /nfs/dbraw/zinc/35/48/15/416354815.db2.gz MFEJYQJSHSXGCC-UHFFFAOYSA-N 0 0 322.361 0.811 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000359775474 416357761 /nfs/dbraw/zinc/35/77/61/416357761.db2.gz QPCXYTSGCFOFSV-ZDUSSCGKSA-N 0 0 305.378 0.999 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)N1CCc2sccc2C1 ZINC000194797999 416324480 /nfs/dbraw/zinc/32/44/80/416324480.db2.gz DYMPKXRKCCUMKC-JQWIXIFHSA-N 0 0 307.419 0.747 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCN(c2cccnn2)CC1 ZINC000195051547 416325084 /nfs/dbraw/zinc/32/50/84/416325084.db2.gz SEEMFALEMBGKTD-UHFFFAOYSA-N 0 0 303.366 0.138 10 0 DCAERN CCc1oc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1C ZINC000195020081 416325195 /nfs/dbraw/zinc/32/51/95/416325195.db2.gz JPZYSERPDSWRRJ-OAHLLOKOSA-N 0 0 305.334 0.965 10 0 DCAERN CCCCOC[C@H](O)CN1CCN(Cc2noc(C)n2)CC1 ZINC000195188327 416325570 /nfs/dbraw/zinc/32/55/70/416325570.db2.gz MZSDNJZUFJSMHA-CQSZACIVSA-N 0 0 312.414 0.673 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178912 416325616 /nfs/dbraw/zinc/32/56/16/416325616.db2.gz HDAMRUSZHSJFIK-LLVKDONJSA-N 0 0 319.413 0.714 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000237958473 416329284 /nfs/dbraw/zinc/32/92/84/416329284.db2.gz HWAVOZVLHRHMRV-GJZGRUSLSA-N 0 0 312.410 0.552 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCCn3ncnc31)CS2 ZINC000246098550 416331624 /nfs/dbraw/zinc/33/16/24/416331624.db2.gz ICEUYCIUHBCWOM-BHDSKKPTSA-N 0 0 321.406 0.683 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000360883820 416415834 /nfs/dbraw/zinc/41/58/34/416415834.db2.gz FPECJCINHJGOPY-OAHLLOKOSA-N 0 0 315.373 0.873 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)SC)C1 ZINC000360135764 416373962 /nfs/dbraw/zinc/37/39/62/416373962.db2.gz REJLSZFWTGTAMH-QWRGUYRKSA-N 0 0 315.439 0.371 10 0 DCAERN COCCOCc1ccc(C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000360395145 416388186 /nfs/dbraw/zinc/38/81/86/416388186.db2.gz OFYFUAVEQSOPER-CQSZACIVSA-N 0 0 321.377 0.732 10 0 DCAERN CCCCCc1nnc(NC(=O)CN2CC(=O)N(C)C2)s1 ZINC000360505344 416393736 /nfs/dbraw/zinc/39/37/36/416393736.db2.gz ULIUYSCVVNGXRO-UHFFFAOYSA-N 0 0 311.411 0.941 10 0 DCAERN NC(=O)NCCC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360559440 416395921 /nfs/dbraw/zinc/39/59/21/416395921.db2.gz GVOPIXYNPMKBQZ-CYBMUJFWSA-N 0 0 307.350 0.351 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360702387 416404666 /nfs/dbraw/zinc/40/46/66/416404666.db2.gz UAWGADJSFNCIAV-UHFFFAOYSA-N 0 0 317.349 0.219 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N[C@@H](CO)C2CCOCC2)cn1 ZINC000360741256 416406696 /nfs/dbraw/zinc/40/66/96/416406696.db2.gz VZLJSEJMSMFGNJ-ZDUSSCGKSA-N 0 0 323.393 0.725 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000360823838 416412313 /nfs/dbraw/zinc/41/23/13/416412313.db2.gz WYMDWOASZYNVGS-NSHDSACASA-N 0 0 311.304 0.611 10 0 DCAERN CCN(C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533035737 416470612 /nfs/dbraw/zinc/47/06/12/416470612.db2.gz XZAGSPUFOQSIQH-MELADBBJSA-N 0 0 321.439 0.052 10 0 DCAERN O=C(CS(=O)(=O)C1CC1)N[C@@H]1COc2ccc(F)cc2C1 ZINC000583546757 416473854 /nfs/dbraw/zinc/47/38/54/416473854.db2.gz COCKLTCJDQJDAT-NSHDSACASA-N 0 0 313.350 0.823 10 0 DCAERN CCSCC[C@@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458477999 416474083 /nfs/dbraw/zinc/47/40/83/416474083.db2.gz WJLNDGWZIZJFPH-GHMZBOCLSA-N 0 0 301.416 0.470 10 0 DCAERN CC(C)n1cc([C@]2(O)CCN(S(=O)(=O)CC3CC3)C2)nn1 ZINC000583616274 416477030 /nfs/dbraw/zinc/47/70/30/416477030.db2.gz BAEDCWUMBNSPRN-ZDUSSCGKSA-N 0 0 314.411 0.492 10 0 DCAERN CC(C)n1cc([C@@]2(O)CCCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000583616458 416477152 /nfs/dbraw/zinc/47/71/52/416477152.db2.gz XHVFTGYHCIJSBX-CYBMUJFWSA-N 0 0 314.411 0.635 10 0 DCAERN CC(C)Cn1ncnc1CN1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617859 416477886 /nfs/dbraw/zinc/47/78/86/416477886.db2.gz AJLDFHRDQMNUHB-AWEZNQCLSA-N 0 0 305.386 0.536 10 0 DCAERN Cc1c(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cnn1C(C)(C)C ZINC000583618823 416478214 /nfs/dbraw/zinc/47/82/14/416478214.db2.gz PPABYGCVDYLLOX-HNNXBMFYSA-N 0 0 318.381 0.798 10 0 DCAERN O=C(c1ccn(C2CCCC2)n1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000583618787 416478265 /nfs/dbraw/zinc/47/82/65/416478265.db2.gz KOULVXLUBYSFNF-OAHLLOKOSA-N 0 0 316.365 0.850 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@]2(O)CCC[C@@H]2C)C1 ZINC000458547395 416478446 /nfs/dbraw/zinc/47/84/46/416478446.db2.gz PQPZDYZCHKDBBK-HUBLWGQQSA-N 0 0 312.414 0.641 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@]2(O)CCC[C@H]2C)C1 ZINC000458547397 416479159 /nfs/dbraw/zinc/47/91/59/416479159.db2.gz PQPZDYZCHKDBBK-TYNCELHUSA-N 0 0 312.414 0.641 10 0 DCAERN CCS(=O)(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616431 416479324 /nfs/dbraw/zinc/47/93/24/416479324.db2.gz PYSFEJJFLVJLAS-GFCCVEGCSA-N 0 0 302.400 0.492 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1CCN1CCCS1(=O)=O ZINC000533208942 416480869 /nfs/dbraw/zinc/48/08/69/416480869.db2.gz HXRYSAJUMMVYDJ-CQSZACIVSA-N 0 0 312.439 0.983 10 0 DCAERN CCCOCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1cncn1C ZINC000583620933 416480772 /nfs/dbraw/zinc/48/07/72/416480772.db2.gz ILOLKHNOAFETLJ-IAQYHMDHSA-N 0 0 308.382 0.625 10 0 DCAERN COC(=O)CCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434595651 416486411 /nfs/dbraw/zinc/48/64/11/416486411.db2.gz INGUDARTROUVOH-UHFFFAOYSA-N 0 0 323.349 1.124 10 0 DCAERN COCCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000361109467 416421482 /nfs/dbraw/zinc/42/14/82/416421482.db2.gz SYWPLMDXUXIMBT-UHFFFAOYSA-N 0 0 324.402 0.626 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000361245073 416427595 /nfs/dbraw/zinc/42/75/95/416427595.db2.gz OOBNMHSAIQKCDS-QEJZJMRPSA-N 0 0 320.389 0.566 10 0 DCAERN C/C=C\C[C@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OCC ZINC000361548582 416446312 /nfs/dbraw/zinc/44/63/12/416446312.db2.gz ZRONDOGBBGWNOQ-FHMRSRPSSA-N 0 0 305.334 0.808 10 0 DCAERN Cn1cc(OCC(=O)Nc2cc(C3CCOCC3)[nH]n2)cn1 ZINC000582798041 416457597 /nfs/dbraw/zinc/45/75/97/416457597.db2.gz PPIPWQZCOZGBAE-UHFFFAOYSA-N 0 0 305.338 1.055 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC23CCC3)C1 ZINC000532799114 416458169 /nfs/dbraw/zinc/45/81/69/416458169.db2.gz KICOXVCYINPRAI-LLVKDONJSA-N 0 0 301.412 0.606 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)NCC(=O)N(C)C)sc2C1 ZINC000434678845 416490701 /nfs/dbraw/zinc/49/07/01/416490701.db2.gz LASSROISHCRPSZ-QMMMGPOBSA-N 0 0 324.406 0.411 10 0 DCAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CC(n2ccnn2)C1 ZINC000361920999 416523144 /nfs/dbraw/zinc/52/31/44/416523144.db2.gz GNNXBVAQMLEIJJ-MRVPVSSYSA-N 0 0 317.271 0.072 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CC(n2ccnn2)C1 ZINC000361926066 416524544 /nfs/dbraw/zinc/52/45/44/416524544.db2.gz VBJLFXVMCMUVRJ-UHFFFAOYSA-N 0 0 300.384 0.122 10 0 DCAERN OC[C@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)ncn1 ZINC000435605354 416526453 /nfs/dbraw/zinc/52/64/53/416526453.db2.gz SLRMEFNYJYIPDQ-NXEZZACHSA-N 0 0 302.325 0.866 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)C(F)(F)F)[C@@H]1OC ZINC000362097593 416561818 /nfs/dbraw/zinc/56/18/18/416561818.db2.gz OKZRSXTXOFPWCL-KZVJFYERSA-N 0 0 300.277 0.401 10 0 DCAERN C[C@@H](CN1CCOCC1)C(=O)N1CCSC[C@@H]1CCO ZINC000535797423 416532896 /nfs/dbraw/zinc/53/28/96/416532896.db2.gz DOGYKEQHKWAHTM-STQMWFEESA-N 0 0 302.440 0.281 10 0 DCAERN CCOc1ncccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459344438 416533767 /nfs/dbraw/zinc/53/37/67/416533767.db2.gz RKOKBFUHERFMTP-JTQLQIEISA-N 0 0 306.326 0.254 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957500 416534812 /nfs/dbraw/zinc/53/48/12/416534812.db2.gz KXOBPBBGTKAUMW-ZRQQLDRUSA-N 0 0 308.400 0.297 10 0 DCAERN Cc1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c2n[nH]cc21 ZINC000459403743 416539263 /nfs/dbraw/zinc/53/92/63/416539263.db2.gz GRKSXRRNLSMBDP-SNVBAGLBSA-N 0 0 315.337 0.645 10 0 DCAERN CCN(CC(=O)OC)C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000536548282 416544126 /nfs/dbraw/zinc/54/41/26/416544126.db2.gz CCHIQIDWRPNNOE-HNNXBMFYSA-N 0 0 318.373 0.981 10 0 DCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ncn(C)n1 ZINC000362038000 416547637 /nfs/dbraw/zinc/54/76/37/416547637.db2.gz OTRYUAHZONQXLF-SNVBAGLBSA-N 0 0 312.370 0.682 10 0 DCAERN CNC(=O)CCCC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000436098812 416548587 /nfs/dbraw/zinc/54/85/87/416548587.db2.gz CGSUBSOGMHYOGG-UHFFFAOYSA-N 0 0 313.379 0.450 10 0 DCAERN CN(C)c1nccc(N2CCN(Cc3ccnc(N)c3)CC2)n1 ZINC000488174244 416558943 /nfs/dbraw/zinc/55/89/43/416558943.db2.gz WPBSLLLMPDVGPB-UHFFFAOYSA-N 0 0 313.409 0.842 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)NCCC(N)=O)sc2C1 ZINC000434965059 416507202 /nfs/dbraw/zinc/50/72/02/416507202.db2.gz CUDFAEMRCCVKQT-ZETCQYMHSA-N 0 0 310.379 0.198 10 0 DCAERN CCOC(=O)CNC(=O)C1CCN(Cc2ncccn2)CC1 ZINC000361860988 416512702 /nfs/dbraw/zinc/51/27/02/416512702.db2.gz TUEKBGQLPIQIFS-UHFFFAOYSA-N 0 0 306.366 0.368 10 0 DCAERN COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000540579604 416592705 /nfs/dbraw/zinc/59/27/05/416592705.db2.gz UFUDBUSQPAIKAU-MRXNPFEDSA-N 0 0 323.393 0.513 10 0 DCAERN CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cnccc2CO)c1 ZINC000540805298 416595328 /nfs/dbraw/zinc/59/53/28/416595328.db2.gz DOONSUVMCGVZNX-UHFFFAOYSA-N 0 0 324.362 0.405 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cc(N3CCCC3)ccn2)CCO1 ZINC000365702651 416607503 /nfs/dbraw/zinc/60/75/03/416607503.db2.gz JYIYITHHVNERBW-CQSZACIVSA-N 0 0 318.377 0.269 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2cnc3c(c2)nnn3C)no1 ZINC000441728120 416679638 /nfs/dbraw/zinc/67/96/38/416679638.db2.gz KULXHVBMJUWDKV-UHFFFAOYSA-N 0 0 315.337 0.974 10 0 DCAERN Cn1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(C(F)F)n1 ZINC000542673899 416627940 /nfs/dbraw/zinc/62/79/40/416627940.db2.gz LYLULBBTLHRGPX-SECBINFHSA-N 0 0 300.309 0.514 10 0 DCAERN O=C(CNC(=O)C1CCCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000542684835 416628143 /nfs/dbraw/zinc/62/81/43/416628143.db2.gz GMIKOMBKKQNRQN-AWEZNQCLSA-N 0 0 309.410 0.226 10 0 DCAERN CC[C@@H]1c2ccsc2CCN1C(=O)CN1C[C@@H](O)[C@H](O)C1 ZINC000366883350 416638831 /nfs/dbraw/zinc/63/88/31/416638831.db2.gz LZIOCFSSBIXDQW-JHJVBQTASA-N 0 0 310.419 0.621 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2cnc3c2CCCC3)[C@@H](C)C1 ZINC000543691344 416643526 /nfs/dbraw/zinc/64/35/26/416643526.db2.gz BJRKVCNBBZZCLR-LBPRGKRZSA-N 0 0 304.394 0.841 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)[C@H]2CCC(=O)N2)(C(=O)OC)C1(C)C ZINC000440861467 416652517 /nfs/dbraw/zinc/65/25/17/416652517.db2.gz MIFJVHDLWJEFJB-HFBDOXOYSA-N 0 0 312.366 0.128 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@H]2CC[S@](=O)C2)cccc1N(C)C ZINC000441188308 416664947 /nfs/dbraw/zinc/66/49/47/416664947.db2.gz KCKMZYMQBVUTHZ-SAHAZLINSA-N 0 0 323.418 0.637 10 0 DCAERN CN(CCO)CCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000623091495 416743856 /nfs/dbraw/zinc/74/38/56/416743856.db2.gz FFRUDTNURACPPM-UHFFFAOYSA-N 0 0 300.424 0.446 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)Cn2cncn2)[C@]12CCCO2 ZINC000368715408 416685592 /nfs/dbraw/zinc/68/55/92/416685592.db2.gz KSVNREIEGPIBQQ-QVHKTLOISA-N 0 0 323.397 0.692 10 0 DCAERN O=C1[C@H](Nc2nnc(-c3ccccn3)s2)CCCN1CCO ZINC000549001931 416693799 /nfs/dbraw/zinc/69/37/99/416693799.db2.gz NYABJXPVWKRZFO-LLVKDONJSA-N 0 0 319.390 0.995 10 0 DCAERN COc1cccc(C[C@@H](O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000442683276 416705307 /nfs/dbraw/zinc/70/53/07/416705307.db2.gz VFMOIFILAUGQAN-MLGOLLRUSA-N 0 0 320.389 0.678 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000442713418 416708436 /nfs/dbraw/zinc/70/84/36/416708436.db2.gz WPIPQEIKBHJPRQ-APBUJDDRSA-N 0 0 306.453 0.407 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2nccn2c1)[C@@H]1CCOC1 ZINC000557379271 416733374 /nfs/dbraw/zinc/73/33/74/416733374.db2.gz ZVBOWTRYRJOXTO-WDEREUQCSA-N 0 0 302.334 0.814 10 0 DCAERN Cn1cc(OCC(=O)NCc2ccc3c(c2)C(=O)NCC3)cn1 ZINC000558576302 416776862 /nfs/dbraw/zinc/77/68/62/416776862.db2.gz BCDPVLKBNDXAQH-UHFFFAOYSA-N 0 0 314.345 0.401 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000558538917 416778513 /nfs/dbraw/zinc/77/85/13/416778513.db2.gz RLQLEGWVFUSDMU-ULQSSITMSA-N 0 0 312.391 0.902 10 0 DCAERN COCCOC1CN(C(=O)N[C@@H]2CCCc3nn(C)cc32)C1 ZINC000558958644 416796617 /nfs/dbraw/zinc/79/66/17/416796617.db2.gz NHQDZGSKGQLNCD-CYBMUJFWSA-N 0 0 308.382 0.854 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N2CC(n3ccnn3)C2)c1 ZINC000444952275 416877198 /nfs/dbraw/zinc/87/71/98/416877198.db2.gz YBTFZLVFNLXLFW-UHFFFAOYSA-N 0 0 302.294 0.549 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000445217806 416890505 /nfs/dbraw/zinc/89/05/05/416890505.db2.gz DQUYOVOLPNTDII-RKDXNWHRSA-N 0 0 311.354 0.637 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000369813202 416832891 /nfs/dbraw/zinc/83/28/91/416832891.db2.gz FQKBQZWWJKUBMV-GRYCIOLGSA-N 0 0 312.435 0.964 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)N1C[C@H](F)C[C@H]1CO ZINC000444548886 416846167 /nfs/dbraw/zinc/84/61/67/416846167.db2.gz LVQVSXFMRHELCM-BDAKNGLRSA-N 0 0 311.338 0.389 10 0 DCAERN Cn1cc([C@@H](NC(=O)N(CCO)CCO)C(F)(F)F)cn1 ZINC000446458628 416930030 /nfs/dbraw/zinc/93/00/30/416930030.db2.gz PZNJKDMPPZGAKT-SECBINFHSA-N 0 0 310.276 0.020 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NC[C@@H]1COCCO1 ZINC000519798809 416941849 /nfs/dbraw/zinc/94/18/49/416941849.db2.gz JKJWFYDJHUHDNB-QWHCGFSZSA-N 0 0 322.361 0.931 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CCNC(=O)CC1 ZINC000616360320 417027037 /nfs/dbraw/zinc/02/70/37/417027037.db2.gz ONQBTBWRXCENLW-HIFRSBDPSA-N 0 0 315.373 0.749 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000373913312 416968293 /nfs/dbraw/zinc/96/82/93/416968293.db2.gz UGKQMZRYZOKHGP-JHJVBQTASA-N 0 0 317.455 0.352 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCC(=O)NC2)c1 ZINC000447230200 416972367 /nfs/dbraw/zinc/97/23/67/416972367.db2.gz RHHDDBFDQXLWAK-QMMMGPOBSA-N 0 0 309.297 0.168 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000565627031 416999991 /nfs/dbraw/zinc/99/99/91/416999991.db2.gz ORWQPCAYUAOXQJ-ZOBORPQBSA-N 0 0 321.439 0.050 10 0 DCAERN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C[C@H](C)O1 ZINC000429849636 417002997 /nfs/dbraw/zinc/00/29/97/417002997.db2.gz UTEVIKXDBYDIFX-QWRGUYRKSA-N 0 0 305.396 0.216 10 0 DCAERN COC1(c2ccccc2)CN(C[C@H](O)CN2CCOCC2)C1 ZINC000375577920 417003875 /nfs/dbraw/zinc/00/38/75/417003875.db2.gz MHIJBFGGDKWYPF-MRXNPFEDSA-N 0 0 306.406 0.537 10 0 DCAERN CCO[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616588237 417080773 /nfs/dbraw/zinc/08/07/73/417080773.db2.gz GQTBRWLGBGQJQH-CKXAMLNGSA-N 0 0 318.322 0.563 10 0 DCAERN NS(=O)(=O)N1CCCC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616604956 417083276 /nfs/dbraw/zinc/08/32/76/417083276.db2.gz HHFNWBSOZKLQJD-GFCCVEGCSA-N 0 0 318.420 0.518 10 0 DCAERN CS(=O)(=O)[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616598050 417083656 /nfs/dbraw/zinc/08/36/56/417083656.db2.gz MVCCCHVKRFADLN-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN Nc1cc([C@H]2COCCN(S(=O)(=O)c3ccccc3)C2)[nH]n1 ZINC000616593720 417083752 /nfs/dbraw/zinc/08/37/52/417083752.db2.gz LHWXQEPGEMIUIV-LLVKDONJSA-N 0 0 322.390 0.797 10 0 DCAERN Cn1ncc(N[C@H]2CCOC[C@H]2O)c(Br)c1=O ZINC000624688529 417084831 /nfs/dbraw/zinc/08/48/31/417084831.db2.gz UNZZETLWQLYRFH-POYBYMJQSA-N 0 0 304.144 0.105 10 0 DCAERN Nc1n[nH]cc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616644178 417087205 /nfs/dbraw/zinc/08/72/05/417087205.db2.gz SPPXTJPVCNEPER-LBPRGKRZSA-N 0 0 308.363 0.754 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616649010 417087443 /nfs/dbraw/zinc/08/74/43/417087443.db2.gz ZNBSFAUVJGBBKV-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616647751 417088115 /nfs/dbraw/zinc/08/81/15/417088115.db2.gz FXWPRIPYEQCVEZ-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@@H](c2cncnc2)C1 ZINC000616650867 417088278 /nfs/dbraw/zinc/08/82/78/417088278.db2.gz CSDHUAQXBQRFMB-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1COCCN(S(C)(=O)=O)C1 ZINC000616663796 417089907 /nfs/dbraw/zinc/08/99/07/417089907.db2.gz ONOMCIXYXZVQJR-LLVKDONJSA-N 0 0 322.427 0.809 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616651960 417090513 /nfs/dbraw/zinc/09/05/13/417090513.db2.gz HLXAOUNKRIWFRW-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616652306 417091566 /nfs/dbraw/zinc/09/15/66/417091566.db2.gz UZAWSPZSKQVXSN-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN O=C(CN1CCCNC1=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000524404196 417106935 /nfs/dbraw/zinc/10/69/35/417106935.db2.gz CQVRQMVGMUNSRZ-UHFFFAOYSA-N 0 0 300.322 0.826 10 0 DCAERN Cc1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c(F)c1 ZINC000404972918 417119620 /nfs/dbraw/zinc/11/96/20/417119620.db2.gz SJHRERLAVPUMQT-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN CC(C)N1CCC[C@H](N(C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950618 417128452 /nfs/dbraw/zinc/12/84/52/417128452.db2.gz BSQCXDMTVHLETC-STQMWFEESA-N 0 0 302.440 0.752 10 0 DCAERN CN(C(=O)N1CCC[C@@H]1C(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000408015260 417131843 /nfs/dbraw/zinc/13/18/43/417131843.db2.gz ARPPIZVZGBMXTA-WDEREUQCSA-N 0 0 304.412 0.461 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3ncc(Br)cn3)CC[C@@H]21 ZINC000408033467 417132465 /nfs/dbraw/zinc/13/24/65/417132465.db2.gz MIOOXUXPLUGTAF-BDAKNGLRSA-N 0 0 312.171 0.841 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000525233027 417132600 /nfs/dbraw/zinc/13/26/00/417132600.db2.gz WRLTUZGRTXDKPD-CHWSQXEVSA-N 0 0 307.398 0.993 10 0 DCAERN C[S@](=O)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035812 287358257 /nfs/dbraw/zinc/35/82/57/287358257.db2.gz QSYMELBBFRKRST-QRQCRPRQSA-N 0 0 321.402 0.598 10 0 DCAERN COC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)CC(C)(C)O1 ZINC000408057805 417138185 /nfs/dbraw/zinc/13/81/85/417138185.db2.gz AANUBRMJWOPRSQ-NSHDSACASA-N 0 0 319.423 0.606 10 0 DCAERN O=C(COc1ccc(Br)cc1)N[C@@H]1CCNC1=O ZINC000616971859 417145967 /nfs/dbraw/zinc/14/59/67/417145967.db2.gz WTLLLECNXQDIGG-SNVBAGLBSA-N 0 0 313.151 0.833 10 0 DCAERN NC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC000408257813 417151957 /nfs/dbraw/zinc/15/19/57/417151957.db2.gz SIXHZWDURFRBBL-LLVKDONJSA-N 0 0 303.366 0.414 10 0 DCAERN CC(=O)N[C@@H]1CCCN([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408309211 417154201 /nfs/dbraw/zinc/15/42/01/417154201.db2.gz MPXAJZOJJFUIOP-UKRRQHHQSA-N 0 0 309.410 0.367 10 0 DCAERN Cc1oc(C(=O)N2CC[C@@H](O)C2(C)C)cc1S(N)(=O)=O ZINC000408379433 417160019 /nfs/dbraw/zinc/16/00/19/417160019.db2.gz ZSFGOYAWRGEUFR-SNVBAGLBSA-N 0 0 302.352 0.221 10 0 DCAERN COC[C@H](CCNC(=O)c1nn(C)cc1Br)OC ZINC000617241701 417187306 /nfs/dbraw/zinc/18/73/06/417187306.db2.gz LDPPDFZFTUWOSU-QMMMGPOBSA-N 0 0 320.187 0.964 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000617259913 417190812 /nfs/dbraw/zinc/19/08/12/417190812.db2.gz KEFGLHODCOSSEL-UKRRQHHQSA-N 0 0 305.382 0.385 10 0 DCAERN C[C@@H](CNC(=O)c1ccc2nnnn2c1)N1CCCCC1=O ZINC000527007582 417200447 /nfs/dbraw/zinc/20/04/47/417200447.db2.gz VSIZLRPIUNPECU-JTQLQIEISA-N 0 0 302.338 0.255 10 0 DCAERN COC(=O)CCN1CCN(C(=O)Cc2cn(C)nc2C)[C@@H](C)C1 ZINC000450404202 417225293 /nfs/dbraw/zinc/22/52/93/417225293.db2.gz NJJSEFPNYCMPJS-LBPRGKRZSA-N 0 0 322.409 0.367 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H]1CCC(C)(C)O1 ZINC000408468749 417164709 /nfs/dbraw/zinc/16/47/09/417164709.db2.gz RIBMITNGBXTSCX-WDEREUQCSA-N 0 0 305.396 0.216 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)C(C)C ZINC000627188547 417266499 /nfs/dbraw/zinc/26/64/99/417266499.db2.gz DQTKMIVPTSPMAU-LLVKDONJSA-N 0 0 323.315 0.380 10 0 DCAERN CCOCC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000620724490 417268389 /nfs/dbraw/zinc/26/83/89/417268389.db2.gz NKHOQCSVDIJRQS-MRXNPFEDSA-N 0 0 305.422 0.955 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccsc1Br ZINC000450552536 417236564 /nfs/dbraw/zinc/23/65/64/417236564.db2.gz HUBIOVODFSMCHJ-ZETCQYMHSA-N 0 0 319.180 0.837 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(C(=O)CCOCC(C)C)CC1 ZINC000438212903 287367518 /nfs/dbraw/zinc/36/75/18/287367518.db2.gz HYFDLPDEMLZLEB-AWEZNQCLSA-N 0 0 301.383 0.822 10 0 DCAERN CC(=O)NCCN(CC[C@H](C)O)[C@H](C)C(=O)OC(C)(C)C ZINC000450716271 417259525 /nfs/dbraw/zinc/25/95/25/417259525.db2.gz YCHSGJGOEQOBGN-NWDGAFQWSA-N 0 0 302.415 0.926 10 0 DCAERN COc1ccc2c(O)c(C(=O)NC[C@H](O)C(F)F)cnc2c1 ZINC000438508650 287371948 /nfs/dbraw/zinc/37/19/48/287371948.db2.gz MTMGSOOYAXUIEJ-NSHDSACASA-N 0 0 312.272 0.893 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000451503703 417354400 /nfs/dbraw/zinc/35/44/00/417354400.db2.gz RDJIGAPOJBKJLB-STQMWFEESA-N 0 0 320.455 0.979 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000632930864 417297829 /nfs/dbraw/zinc/29/78/29/417297829.db2.gz GBZDHNWESPUTMJ-AVGNSLFASA-N 0 0 300.399 0.272 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)NCc2ccco2)CC12COC2 ZINC000451125517 417300937 /nfs/dbraw/zinc/30/09/37/417300937.db2.gz MWUFYKDWRTVNJZ-CYBMUJFWSA-N 0 0 322.361 0.407 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cc(=O)c(O)co2)CC12COC2 ZINC000451132845 417303773 /nfs/dbraw/zinc/30/37/73/417303773.db2.gz JETOGCNGLYMDLZ-LLVKDONJSA-N 0 0 309.318 0.357 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139240 417306560 /nfs/dbraw/zinc/30/65/60/417306560.db2.gz RWUYARDFJKVFFR-PWSUYJOCSA-N 0 0 321.381 0.581 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1S(=O)(=O)c1ccc(C)o1 ZINC000643703946 417309725 /nfs/dbraw/zinc/30/97/25/417309725.db2.gz GUNOFIIBQFUXPL-CYBMUJFWSA-N 0 0 316.379 0.504 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000451891352 417412697 /nfs/dbraw/zinc/41/26/97/417412697.db2.gz OIIHWHACJIEYBW-NEPJUHHUSA-N 0 0 324.468 0.615 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000633351341 417413565 /nfs/dbraw/zinc/41/35/65/417413565.db2.gz RHIGJLAHPXMZPU-GMTAPVOTSA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1C[C@H](O)C[C@H]1C(N)=O ZINC000528635250 417370242 /nfs/dbraw/zinc/37/02/42/417370242.db2.gz PBRJGTZQFZIPJN-UDZFHETQSA-N 0 0 319.361 0.137 10 0 DCAERN CO[C@@H]1COCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000452628500 417492373 /nfs/dbraw/zinc/49/23/73/417492373.db2.gz FHOHIUDQFAMYPT-VHDGCEQUSA-N 0 0 320.389 0.973 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)[C@@H](C)COC)CC12COC2 ZINC000452218168 417460394 /nfs/dbraw/zinc/46/03/94/417460394.db2.gz FEXJMMFYWAJEEV-XQQFMLRXSA-N 0 0 313.394 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC[C@H]2CCOC2)CC12COC2 ZINC000452256120 417461668 /nfs/dbraw/zinc/46/16/68/417461668.db2.gz HEENQZBEFPFTNG-QWHCGFSZSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCn2cc(C)cn2)CC12COC2 ZINC000452263561 417463015 /nfs/dbraw/zinc/46/30/15/417463015.db2.gz NEIMALOWKCOBGO-CYBMUJFWSA-N 0 0 321.377 0.620 10 0 DCAERN O=C(NC[C@@H](O)C(F)F)c1cccc(CNc2ccncn2)c1 ZINC000574366923 417484668 /nfs/dbraw/zinc/48/46/68/417484668.db2.gz ZVNQMVKVQGRWKX-GFCCVEGCSA-N 0 0 322.315 1.445 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)Nc1c3c(nn1C)CCC3)N(C)C2 ZINC000644314018 417535345 /nfs/dbraw/zinc/53/53/45/417535345.db2.gz IGQHGCJUFUXLHF-LBPRGKRZSA-N 0 0 315.381 0.261 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682036 417535768 /nfs/dbraw/zinc/53/57/68/417535768.db2.gz RPSFMESQCVHTPS-UTLUCORTSA-N 0 0 308.350 0.162 10 0 DCAERN CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(OC)c1C ZINC000453978796 417541610 /nfs/dbraw/zinc/54/16/10/417541610.db2.gz UZHPQZJZHOUUDN-SNVBAGLBSA-N 0 0 321.377 0.891 10 0 DCAERN Cc1cn2cc(NC(=O)CN3CCCC[C@@H](O)C3=O)ccc2n1 ZINC000644339425 417542647 /nfs/dbraw/zinc/54/26/47/417542647.db2.gz ACTRFVUNJMEWRU-CYBMUJFWSA-N 0 0 316.361 0.955 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000439217662 287384270 /nfs/dbraw/zinc/38/42/70/287384270.db2.gz WTZMVZNPHWXJOH-LLVKDONJSA-N 0 0 320.411 0.260 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)NCC(=O)N2CCCO2)c1 ZINC000627880381 417522739 /nfs/dbraw/zinc/52/27/39/417522739.db2.gz FPDOQZXVQMZDIG-LBPRGKRZSA-N 0 0 320.345 0.937 10 0 DCAERN COC[C@](C)(O)CNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000576068976 417579004 /nfs/dbraw/zinc/57/90/04/417579004.db2.gz CXLYQZZJHCHOTR-GXSJLCMTSA-N 0 0 324.303 0.720 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC2=CCCOC2)CC12COC2 ZINC000454961707 417586916 /nfs/dbraw/zinc/58/69/16/417586916.db2.gz SAGYXEBVNKWMSL-ZDUSSCGKSA-N 0 0 324.377 0.554 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000530850934 417593301 /nfs/dbraw/zinc/59/33/01/417593301.db2.gz WPWYIWDQGBAJGZ-KBNOKHGBSA-N 0 0 307.394 0.370 10 0 DCAERN Cn1cc(NC(=O)CN2CCCC[C@@H](O)C2=O)c(C2CC2)n1 ZINC000644488968 417598187 /nfs/dbraw/zinc/59/81/87/417598187.db2.gz VRTMSAZHXIKVFJ-GFCCVEGCSA-N 0 0 306.366 0.609 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1c(Br)cnn1C ZINC000638874795 417573215 /nfs/dbraw/zinc/57/32/15/417573215.db2.gz BXNRLWIMTNOZBO-XCBNKYQSSA-N 0 0 317.187 0.176 10 0 DCAERN CCC[C@H](CNC(=O)N[C@H]1CCN(C(=O)NCC)C1)OC ZINC000454673483 417576410 /nfs/dbraw/zinc/57/64/10/417576410.db2.gz JGUTUCOWUZDRAJ-NWDGAFQWSA-N 0 0 300.403 0.905 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2cncc(F)c2)n1 ZINC000440041064 287392619 /nfs/dbraw/zinc/39/26/19/287392619.db2.gz CZIBFFCKQLXKKO-UHFFFAOYSA-N 0 0 318.308 0.922 10 0 DCAERN COc1cc(OC)c(OC)cc1CN1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000628420023 417620009 /nfs/dbraw/zinc/62/00/09/417620009.db2.gz KXBWTRLYIPBXKL-BONVTDFDSA-N 0 0 324.377 0.787 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c[nH]1 ZINC000456246488 417640122 /nfs/dbraw/zinc/64/01/22/417640122.db2.gz OXBTYQQZOYDRHW-PHIMTYICSA-N 0 0 309.366 0.328 10 0 DCAERN C[C@H](CCCO)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000531784857 417640224 /nfs/dbraw/zinc/64/02/24/417640224.db2.gz YJEMBDYPDPURLP-GFCCVEGCSA-N 0 0 320.393 0.898 10 0 DCAERN CN(Cc1nnnn1C)C(=O)CCNC(=O)C1CCCCC1 ZINC000531812118 417641551 /nfs/dbraw/zinc/64/15/51/417641551.db2.gz ZCQSXQGJVLMEMW-UHFFFAOYSA-N 0 0 308.386 0.255 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@@]3(CO)CCOC3)cc21 ZINC000576922649 417647257 /nfs/dbraw/zinc/64/72/57/417647257.db2.gz BFSWXRYDDAJYEB-MRXNPFEDSA-N 0 0 317.345 0.811 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000456796117 417666018 /nfs/dbraw/zinc/66/60/18/417666018.db2.gz QWWWFMNWYQSYGZ-VXGBXAGGSA-N 0 0 309.366 0.741 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000532322643 417672480 /nfs/dbraw/zinc/67/24/80/417672480.db2.gz YQGAXWNEZZRBFY-CQSZACIVSA-N 0 0 311.349 0.655 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC12COC2 ZINC000457826470 417709604 /nfs/dbraw/zinc/70/96/04/417709604.db2.gz WMZYJRWBSXKUJC-QNWHQSFQSA-N 0 0 321.373 0.640 10 0 DCAERN COc1cc(CNC(=O)NC[C@H](O)Cn2ccnn2)ccc1C ZINC000457927761 417712202 /nfs/dbraw/zinc/71/22/02/417712202.db2.gz INCAFNWDWBDERA-ZDUSSCGKSA-N 0 0 319.365 0.455 10 0 DCAERN Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H](O)Cn1ccnn1)C2 ZINC000458127692 417723014 /nfs/dbraw/zinc/72/30/14/417723014.db2.gz DAMNVEFWTCHBSP-ZFWWWQNUSA-N 0 0 316.361 0.376 10 0 DCAERN Cc1ccc2nc(C(=O)NC[C@H](O)Cn3ccnn3)ccc2c1 ZINC000458132057 417723374 /nfs/dbraw/zinc/72/33/74/417723374.db2.gz HDIQZQCVSMCJJZ-ZDUSSCGKSA-N 0 0 311.345 0.926 10 0 DCAERN COc1cccc([C@H](C)NC(=O)c2nc(N)nc(N(C)C)n2)c1 ZINC000580900188 417723452 /nfs/dbraw/zinc/72/34/52/417723452.db2.gz PUFYYTJVODCIMF-VIFPVBQESA-N 0 0 316.365 1.019 10 0 DCAERN CC(C)c1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)c(O)c1 ZINC000458138705 417724667 /nfs/dbraw/zinc/72/46/67/417724667.db2.gz MJPSBYIQQNPBHU-GFCCVEGCSA-N 0 0 304.350 0.898 10 0 DCAERN CC[C@H](C)Oc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccn1 ZINC000458139637 417724769 /nfs/dbraw/zinc/72/47/69/417724769.db2.gz MUJLNENGCGBYDG-WCQYABFASA-N 0 0 319.365 0.641 10 0 DCAERN CC(C)Cc1nc(C(=O)NC[C@@H](O)Cn2ccnn2)cs1 ZINC000458154893 417725026 /nfs/dbraw/zinc/72/50/26/417725026.db2.gz ZUGFAMBBOUNHAM-SNVBAGLBSA-N 0 0 309.395 0.724 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148162 417725524 /nfs/dbraw/zinc/72/55/24/417725524.db2.gz SWGDDOKEWQQJDV-JQWIXIFHSA-N 0 0 324.768 0.876 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@H](O)Cn2ccnn2)cc(=O)[nH]1 ZINC000458143363 417725860 /nfs/dbraw/zinc/72/58/60/417725860.db2.gz PEDWRXCFUJPWDW-NSHDSACASA-N 0 0 305.338 0.293 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000444383705 287422443 /nfs/dbraw/zinc/42/24/43/287422443.db2.gz PKSFOOIHXKPGGM-GFCCVEGCSA-N 0 0 322.409 0.346 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000460013462 287508580 /nfs/dbraw/zinc/50/85/80/287508580.db2.gz TWERKZCVRWGOHG-UHFFFAOYSA-N 0 0 320.368 0.738 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1scnc1C ZINC000487124451 287532263 /nfs/dbraw/zinc/53/22/63/287532263.db2.gz RMHCYYBRXKICTE-IUCAKERBSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)CSC ZINC000488332656 287549547 /nfs/dbraw/zinc/54/95/47/287549547.db2.gz SOJCVJNCSPNMAD-GUBZILKMSA-N 0 0 304.412 0.558 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ncoc1CC ZINC000488149943 287546857 /nfs/dbraw/zinc/54/68/57/287546857.db2.gz MLNNXOQCYKMZFH-IUCAKERBSA-N 0 0 311.338 0.423 10 0 DCAERN O=c1[nH]c(NC[C@H](O)CN2CCOCC2)nc2ccccc21 ZINC000299614151 229263591 /nfs/dbraw/zinc/26/35/91/229263591.db2.gz NIRWABMPZMJBIO-NSHDSACASA-N 0 0 304.350 0.440 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)NC3CC=CC3)C2)n1 ZINC000299739538 229372652 /nfs/dbraw/zinc/37/26/52/229372652.db2.gz PUCKXBHREWQUSU-LLVKDONJSA-N 0 0 304.354 0.442 10 0 DCAERN C[C@H]1CN(c2nccn(C3CC3)c2=O)CCN1S(C)(=O)=O ZINC000302024298 230043491 /nfs/dbraw/zinc/04/34/91/230043491.db2.gz HARGULABYWYPFS-JTQLQIEISA-N 0 0 312.395 0.048 10 0 DCAERN O=C(NCCCN1C(=O)CNC1=O)c1c[nH]c2cc(F)ccc12 ZINC000181961145 261114743 /nfs/dbraw/zinc/11/47/43/261114743.db2.gz DZXKPVGMKPISAM-UHFFFAOYSA-N 0 0 318.308 0.979 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000186165733 261121651 /nfs/dbraw/zinc/12/16/51/261121651.db2.gz OLHVFBINGZUIPF-UHFFFAOYSA-N 0 0 320.740 0.134 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000187879111 261125037 /nfs/dbraw/zinc/12/50/37/261125037.db2.gz CTDXAXCAEDAGOC-NEPJUHHUSA-N 0 0 306.428 0.541 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)NCc1cc(C(N)=O)co1 ZINC000187875867 261125100 /nfs/dbraw/zinc/12/51/00/261125100.db2.gz JPXAMYDLUTXHOV-UHFFFAOYSA-N 0 0 322.342 0.712 10 0 DCAERN COc1ccc(S(=O)(=O)NCc2cc(C(N)=O)co2)cc1 ZINC000188245650 261126139 /nfs/dbraw/zinc/12/61/39/261126139.db2.gz SXHZUSFRCSYZAI-UHFFFAOYSA-N 0 0 310.331 0.866 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000188439819 261127816 /nfs/dbraw/zinc/12/78/16/261127816.db2.gz RQEDZGMDNOJWSN-VIFPVBQESA-N 0 0 317.349 0.280 10 0 DCAERN O=C(Nc1ccc2n[nH]nc2c1)c1cc2c(cn1)nc[nH]c2=O ZINC000188570133 261128464 /nfs/dbraw/zinc/12/84/64/261128464.db2.gz ODVRDNLXNCFJAD-UHFFFAOYSA-N 0 0 307.273 0.842 10 0 DCAERN CCOC(=O)[C@@](C)(CNC(=O)CC(=O)NC)c1ccccc1 ZINC000189164927 261130598 /nfs/dbraw/zinc/13/05/98/261130598.db2.gz PNKDXWLAHHDCTF-INIZCTEOSA-N 0 0 306.362 0.760 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000189759948 261134104 /nfs/dbraw/zinc/13/41/04/261134104.db2.gz NSWKCDQRIAFDTE-STQMWFEESA-N 0 0 310.398 0.830 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)F)C[C@@H](C)O1 ZINC000190963965 261135455 /nfs/dbraw/zinc/13/54/55/261135455.db2.gz ZOKAHKXDCDUFKF-RKDXNWHRSA-N 0 0 302.343 0.212 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCOCC(F)F ZINC000191512417 261137125 /nfs/dbraw/zinc/13/71/25/261137125.db2.gz MGGUOHAJHGVTSM-UHFFFAOYSA-N 0 0 314.292 0.988 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000191338227 261137663 /nfs/dbraw/zinc/13/76/63/261137663.db2.gz IWSGZAALZIIXEH-VIFPVBQESA-N 0 0 319.365 0.140 10 0 DCAERN CC(=O)NC1CN(C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000191732007 261137963 /nfs/dbraw/zinc/13/79/63/261137963.db2.gz JSOFCYVHHPXWIC-HNNXBMFYSA-N 0 0 306.362 0.449 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)NCCCN1CCCC1=O ZINC000192889980 261139506 /nfs/dbraw/zinc/13/95/06/261139506.db2.gz MQVZARZWSIVZHA-ZDUSSCGKSA-N 0 0 312.414 0.019 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000194256196 261146074 /nfs/dbraw/zinc/14/60/74/261146074.db2.gz PBEUGZBWUVWACK-BZNIZROVSA-N 0 0 313.357 0.642 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCO2)cc1 ZINC000354606166 261244367 /nfs/dbraw/zinc/24/43/67/261244367.db2.gz ZPXNTXNLPPDWFB-UHFFFAOYSA-N 0 0 312.347 0.331 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@]1(CCO)CCOC1)C1CCCC1 ZINC000356014908 261383100 /nfs/dbraw/zinc/38/31/00/261383100.db2.gz CPBNZWFUZXUSOW-ZBFHGGJFSA-N 0 0 312.410 0.587 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1COCCN1CC(F)(F)F ZINC000356428525 261421860 /nfs/dbraw/zinc/42/18/60/261421860.db2.gz ZHZLXGRPBHMCST-VWYCJHECSA-N 0 0 310.316 0.669 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)[C@H](C)C1 ZINC000357621204 261562261 /nfs/dbraw/zinc/56/22/61/261562261.db2.gz NHXADJOQBYNYMI-LLVKDONJSA-N 0 0 323.418 0.600 10 0 DCAERN CCOC(=O)c1ccccc1NC(=O)CN1CC(=O)N(C)C1 ZINC000360488830 261837364 /nfs/dbraw/zinc/83/73/64/261837364.db2.gz DVSANYLGACFYSG-UHFFFAOYSA-N 0 0 305.334 0.533 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCc2ncccn2)CC1 ZINC000360650392 261857421 /nfs/dbraw/zinc/85/74/21/261857421.db2.gz CRIPCDHPOKRVGF-UHFFFAOYSA-N 0 0 320.393 0.505 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[C@](C)(O)C1 ZINC000362195116 262008600 /nfs/dbraw/zinc/00/86/00/262008600.db2.gz HPQLICPRFCAXCQ-INIZCTEOSA-N 0 0 319.361 0.591 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)nc1C ZINC000362416957 262032765 /nfs/dbraw/zinc/03/27/65/262032765.db2.gz IPDDLOCECGJAFH-LBPRGKRZSA-N 0 0 303.318 0.436 10 0 DCAERN C[C@]1(C(=O)Nc2nn[nH]n2)CCCN1C(=O)c1ccccc1 ZINC000363240575 262107497 /nfs/dbraw/zinc/10/74/97/262107497.db2.gz QBEOAJDQTIKLQU-CQSZACIVSA-N 0 0 300.322 0.833 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCN2CCOC[C@@H]2C1 ZINC000363837544 262134173 /nfs/dbraw/zinc/13/41/73/262134173.db2.gz XCFMIKDRLDGWFV-LBPRGKRZSA-N 0 0 317.345 0.174 10 0 DCAERN O=C(C[C@H](O)c1cccc(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363863837 262135082 /nfs/dbraw/zinc/13/50/82/262135082.db2.gz CAGQHLYVABEXBD-GJZGRUSLSA-N 0 0 308.353 0.792 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000363857041 262135113 /nfs/dbraw/zinc/13/51/13/262135113.db2.gz PMQXRTVELVWZTK-UHFFFAOYSA-N 0 0 304.394 0.823 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCS2)C[C@H](C(N)=O)O1 ZINC000370481575 262146389 /nfs/dbraw/zinc/14/63/89/262146389.db2.gz UYPRMJRWZSKLHJ-GIPNMCIBSA-N 0 0 301.412 0.556 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1cccc(OC)c1O ZINC000390408277 262160198 /nfs/dbraw/zinc/16/01/98/262160198.db2.gz KGERWQDGVUMLPW-UHFFFAOYSA-N 0 0 302.352 0.070 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NC2(C(=O)N(C)C)CC2)c1 ZINC000416578027 262232373 /nfs/dbraw/zinc/23/23/73/262232373.db2.gz CCXHJOMEYRMGRY-UHFFFAOYSA-N 0 0 310.375 0.788 10 0 DCAERN COCCN(C(=O)NC[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000359116881 271097138 /nfs/dbraw/zinc/09/71/38/271097138.db2.gz IIGGOROCUFCJNP-SDDRHHMPSA-N 0 0 304.412 0.488 10 0 DCAERN Cc1nccc(CS(=O)(=O)c2nnc(N(C)C)n2C(C)C)n1 ZINC000359187334 271102101 /nfs/dbraw/zinc/10/21/01/271102101.db2.gz OKXFGIDZQHJCTP-UHFFFAOYSA-N 0 0 324.410 0.997 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@H](OC)C(C)C)n1 ZINC000359230433 271108365 /nfs/dbraw/zinc/10/83/65/271108365.db2.gz IGSBIJDFZHZZCD-ZDUSSCGKSA-N 0 0 323.393 0.536 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H]1O ZINC000359393303 271113969 /nfs/dbraw/zinc/11/39/69/271113969.db2.gz WIFBFTIWZWLDRB-DGCLKSJQSA-N 0 0 318.377 0.460 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2[nH]cnc2C)c1 ZINC000359486653 271120248 /nfs/dbraw/zinc/12/02/48/271120248.db2.gz VBAAWAXJPBIUMO-UHFFFAOYSA-N 0 0 308.363 0.556 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](O)COCC1CC1 ZINC000359562149 271126169 /nfs/dbraw/zinc/12/61/69/271126169.db2.gz XHAIOVKYDNSETF-DOMZBBRYSA-N 0 0 320.389 0.709 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)c(F)c1 ZINC000359988863 271154160 /nfs/dbraw/zinc/15/41/60/271154160.db2.gz VADYAHRIQVHCCC-MRVPVSSYSA-N 0 0 317.342 0.266 10 0 DCAERN NC(=O)N1CCCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000363483908 271194644 /nfs/dbraw/zinc/19/46/44/271194644.db2.gz NPYHWZIKRJJEAB-UHFFFAOYSA-N 0 0 315.373 0.971 10 0 DCAERN Cn1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(-c2ccoc2)n1 ZINC000363769408 271204523 /nfs/dbraw/zinc/20/45/23/271204523.db2.gz YHYUGGKYZCTMNX-ZDUSSCGKSA-N 0 0 316.361 0.837 10 0 DCAERN C[C@H](O)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000435143631 271554093 /nfs/dbraw/zinc/55/40/93/271554093.db2.gz TWZYKYPQSYCSCM-LBPRGKRZSA-N 0 0 320.393 0.898 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H](C)CS(C)(=O)=O)no1 ZINC000442164533 271664253 /nfs/dbraw/zinc/66/42/53/271664253.db2.gz FDMINXSKVYHFAP-QMMMGPOBSA-N 0 0 318.399 0.599 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CSC1CC1 ZINC000451239340 271892323 /nfs/dbraw/zinc/89/23/23/271892323.db2.gz BBIRECNNKYYYIJ-BDAKNGLRSA-N 0 0 302.396 0.455 10 0 DCAERN COc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1C ZINC000458125422 271943004 /nfs/dbraw/zinc/94/30/04/271943004.db2.gz BBLCXQJTDAOKNJ-LBPRGKRZSA-N 0 0 320.349 0.151 10 0 DCAERN CCc1ccccc1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458129437 271943653 /nfs/dbraw/zinc/94/36/53/271943653.db2.gz OSRFXWCNJFPEKT-CYBMUJFWSA-N 0 0 304.350 0.397 10 0 DCAERN C[C@@]1(CNC(=O)NC[C@@H](CO)c2ccccc2)CCC(=O)N1 ZINC000459167883 271988611 /nfs/dbraw/zinc/98/86/11/271988611.db2.gz UZMWAYRZVVDOBL-BBRMVZONSA-N 0 0 305.378 0.730 10 0 DCAERN CCOc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000459357421 271992766 /nfs/dbraw/zinc/99/27/66/271992766.db2.gz ZXQXJDPNVSMBCR-LBPRGKRZSA-N 0 0 305.338 0.859 10 0 DCAERN COCCN(C)C(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000459904939 272017928 /nfs/dbraw/zinc/01/79/28/272017928.db2.gz MEHIBVHSAUXGPV-NSHDSACASA-N 0 0 312.288 0.007 10 0 DCAERN CC(C)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459951608 272021204 /nfs/dbraw/zinc/02/12/04/272021204.db2.gz LYOSKYSZDCIVEF-DYVFJYSZSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@H]1COC(C)(C)CN1C(=O)NCC(=O)NCC(F)(F)F ZINC000487047717 272037287 /nfs/dbraw/zinc/03/72/87/272037287.db2.gz PTCYXQIORFLQKA-QMMMGPOBSA-N 0 0 311.304 0.874 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1CC(F)(F)C1 ZINC000487108538 272038318 /nfs/dbraw/zinc/03/83/18/272038318.db2.gz GELWRAMRNFQKEH-JGVFFNPUSA-N 0 0 306.309 0.604 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCCO1 ZINC000487168150 272038732 /nfs/dbraw/zinc/03/87/32/272038732.db2.gz VBRZRPGIUMEDDN-DCAQKATOSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCn1cc(C)cn1 ZINC000487150741 272038737 /nfs/dbraw/zinc/03/87/37/272038737.db2.gz GSOWGYWPRSPRLD-NWDGAFQWSA-N 0 0 324.381 0.154 10 0 DCAERN CCN1CCN(CC(=O)N[C@H]2CCCC(F)(F)C2)C(=O)C1=O ZINC000488985287 272054907 /nfs/dbraw/zinc/05/49/07/272054907.db2.gz RNWLUTSCAYMWMP-JTQLQIEISA-N 0 0 317.336 0.371 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N[C@H]1CCCNC1=O ZINC000489159785 272057705 /nfs/dbraw/zinc/05/77/05/272057705.db2.gz JZTCTOFWZKWUGP-NSHDSACASA-N 0 0 316.365 0.240 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)cn1 ZINC000490913820 272083640 /nfs/dbraw/zinc/08/36/40/272083640.db2.gz SRPGWFAIOSSQMK-UHFFFAOYSA-N 0 0 314.349 0.853 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000494443362 272222175 /nfs/dbraw/zinc/22/21/75/272222175.db2.gz BBBUXOQGSFTCNU-LBPRGKRZSA-N 0 0 313.442 0.859 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000494463425 272222788 /nfs/dbraw/zinc/22/27/88/272222788.db2.gz KZJFBCJHAYCOMU-UHFFFAOYSA-N 0 0 319.405 0.855 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000494468648 272223201 /nfs/dbraw/zinc/22/32/01/272223201.db2.gz BXKRGZCYAGIQJK-UHFFFAOYSA-N 0 0 319.405 0.855 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCSC[C@@H]2CCO)n1 ZINC000494912668 272234196 /nfs/dbraw/zinc/23/41/96/272234196.db2.gz VHOHXALPLJYUCM-JTQLQIEISA-N 0 0 310.375 0.808 10 0 DCAERN O=C(Nc1cccc(F)c1F)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000514827756 272409103 /nfs/dbraw/zinc/40/91/03/272409103.db2.gz VRXDXBURMCUYLP-DTORHVGOSA-N 0 0 312.272 0.530 10 0 DCAERN O=C(NC1(CO)CC1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000514926826 272410999 /nfs/dbraw/zinc/41/09/99/272410999.db2.gz KKEHFWRWGCCILR-VIFPVBQESA-N 0 0 310.300 0.959 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)CCO1 ZINC000517775385 272474178 /nfs/dbraw/zinc/47/41/78/272474178.db2.gz SNWQKIXKZRGPFE-KKUMJFAQSA-N 0 0 324.421 0.944 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCC3CCOCC3)CC2)n1 ZINC000523429139 272557625 /nfs/dbraw/zinc/55/76/25/272557625.db2.gz LHTWZFCUXMHKMM-UHFFFAOYSA-N 0 0 323.397 0.632 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCN(C3CC3)C(=O)C2)cs1 ZINC000531363059 272760494 /nfs/dbraw/zinc/76/04/94/272760494.db2.gz LNUOHBQZCOCYOC-UHFFFAOYSA-N 0 0 308.363 0.548 10 0 DCAERN CC(=O)c1cn(Cc2nnc(C3CC3)s2)c(=O)n(C)c1=O ZINC000530102857 287741771 /nfs/dbraw/zinc/74/17/71/287741771.db2.gz BOAFVLGVBVQIBX-UHFFFAOYSA-N 0 0 306.347 0.527 10 0 DCAERN NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000534243033 287806740 /nfs/dbraw/zinc/80/67/40/287806740.db2.gz JAQSPZBDFNTNDZ-SNVBAGLBSA-N 0 0 309.347 0.864 10 0 DCAERN COc1ccc(CNC(=O)CN2C(=O)[C@@H]3C[C@@H]3C2=O)cc1OC ZINC000534768165 287819735 /nfs/dbraw/zinc/81/97/35/287819735.db2.gz XQBAPLCQZLZKBU-PHIMTYICSA-N 0 0 318.329 0.325 10 0 DCAERN CN(C(=O)Nc1cccc(N2CCOCC2)c1)[C@H]1CCNC1=O ZINC000535485695 287834197 /nfs/dbraw/zinc/83/41/97/287834197.db2.gz CMJGHVKAYZHTMX-AWEZNQCLSA-N 0 0 318.377 0.875 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1Cl ZINC000535707292 287837105 /nfs/dbraw/zinc/83/71/05/287837105.db2.gz JARPCXOIEQBPFW-SECBINFHSA-N 0 0 324.768 0.856 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)C1 ZINC000364964459 275758656 /nfs/dbraw/zinc/75/86/56/275758656.db2.gz XWFIILVDYFBSPX-CYBMUJFWSA-N 0 0 301.346 0.471 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@H]2CCO)C1 ZINC000536647879 287860450 /nfs/dbraw/zinc/86/04/50/287860450.db2.gz LLVQTWVVSQSMOD-GHMZBOCLSA-N 0 0 301.412 0.104 10 0 DCAERN CCCN1CCC[C@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408248301 276009756 /nfs/dbraw/zinc/00/97/56/276009756.db2.gz ALSRUAPWNMINEB-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000407988509 276193458 /nfs/dbraw/zinc/19/34/58/276193458.db2.gz HHPIEZMVYPFJCD-LBPRGKRZSA-N 0 0 308.300 0.771 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1N1CCOCC1 ZINC000263105669 276483584 /nfs/dbraw/zinc/48/35/84/276483584.db2.gz ZUPHGUKUPZWQQG-JHJVBQTASA-N 0 0 317.380 0.553 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)Nc1cccc2c1OCCC2 ZINC000540979487 287914625 /nfs/dbraw/zinc/91/46/25/287914625.db2.gz UWLWHERTCHTPSE-UHFFFAOYSA-N 0 0 318.377 0.565 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000371690870 277014930 /nfs/dbraw/zinc/01/49/30/277014930.db2.gz ZRTHEDBRPNTEAX-CHWSQXEVSA-N 0 0 319.386 0.439 10 0 DCAERN CNC(=O)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)nn1 ZINC000173913767 277018052 /nfs/dbraw/zinc/01/80/52/277018052.db2.gz NCAUSRBNRVEHLQ-LLVKDONJSA-N 0 0 313.365 0.707 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000091770964 277029154 /nfs/dbraw/zinc/02/91/54/277029154.db2.gz BMUHYEYMOSWIJR-WFASDCNBSA-N 0 0 323.780 0.864 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000364744749 277044299 /nfs/dbraw/zinc/04/42/99/277044299.db2.gz KTBBSDYTZDDPFL-BZUAXINKSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000079069322 277045196 /nfs/dbraw/zinc/04/51/96/277045196.db2.gz JZNRFDCNVLHQJQ-CHWSQXEVSA-N 0 0 324.425 0.696 10 0 DCAERN CC(C)(C(=O)N[C@H]1CCN(C2CCCC2)C1)S(C)(=O)=O ZINC000408149981 277125607 /nfs/dbraw/zinc/12/56/07/277125607.db2.gz NVPTYHMOEHRTJK-NSHDSACASA-N 0 0 302.440 0.943 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CCC1=O ZINC000281525013 277851847 /nfs/dbraw/zinc/85/18/47/277851847.db2.gz IQUOKQJIPDRZRS-GFCCVEGCSA-N 0 0 303.362 0.969 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408325157 277955065 /nfs/dbraw/zinc/95/50/65/277955065.db2.gz WXYJNIOBXCEULS-RYUDHWBXSA-N 0 0 300.380 0.114 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCOC[C@H]2c2cccn2C)C1 ZINC000408055287 278053742 /nfs/dbraw/zinc/05/37/42/278053742.db2.gz SIBPZTCCSSLRFC-ZFWWWQNUSA-N 0 0 305.378 0.793 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCSC[C@H]1CCO ZINC000545969006 288008548 /nfs/dbraw/zinc/00/85/48/288008548.db2.gz XLBGTBPCEOVWDP-LLVKDONJSA-N 0 0 313.427 0.350 10 0 DCAERN Cc1cc2c(cc1C)[C@H](C(=O)N(C)Cc1nnnn1C)CO2 ZINC000546022679 288012817 /nfs/dbraw/zinc/01/28/17/288012817.db2.gz MALWBZSMRYQKBO-GFCCVEGCSA-N 0 0 301.350 0.962 10 0 DCAERN Cc1nnc([C@@H](C)NC(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000546136224 288016241 /nfs/dbraw/zinc/01/62/41/288016241.db2.gz ONTWRAGBWRHUHU-MWLCHTKSSA-N 0 0 311.411 0.634 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366513106 278287302 /nfs/dbraw/zinc/28/73/02/278287302.db2.gz GPGKRZADCIADLE-MRXNPFEDSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1cc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(C)cn1 ZINC000546742731 288030040 /nfs/dbraw/zinc/03/00/40/288030040.db2.gz XLEBNWAUVPVTPZ-GFCCVEGCSA-N 0 0 306.366 0.225 10 0 DCAERN Cn1ccc(CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000546894646 288033435 /nfs/dbraw/zinc/03/34/35/288033435.db2.gz NAISURXGQJWUNT-LBPRGKRZSA-N 0 0 306.370 0.166 10 0 DCAERN O=C(NCc1nnnn1CC1CC1)N1CCO[C@@H](C2CC2)C1 ZINC000547621270 288062803 /nfs/dbraw/zinc/06/28/03/288062803.db2.gz LVMNDVKIEQQORA-GFCCVEGCSA-N 0 0 306.370 0.404 10 0 DCAERN O=C(NCc1nnc2ccccn21)N[C@H]1CCn2ccnc2C1 ZINC000547673432 288067450 /nfs/dbraw/zinc/06/74/50/288067450.db2.gz COJDGWTWTCGUNR-NSHDSACASA-N 0 0 311.349 0.740 10 0 DCAERN CC(C)CCS(=O)(=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000343171005 278777655 /nfs/dbraw/zinc/77/76/55/278777655.db2.gz TUYZSSXESUEMPO-ZDUSSCGKSA-N 0 0 316.427 0.481 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000408016469 278833267 /nfs/dbraw/zinc/83/32/67/278833267.db2.gz KODLXONVTCAQST-DGCLKSJQSA-N 0 0 303.428 0.466 10 0 DCAERN Cc1csc(NC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000547784727 288079229 /nfs/dbraw/zinc/07/92/29/288079229.db2.gz IVORSJYHWMYAKG-SNVBAGLBSA-N 0 0 308.407 0.991 10 0 DCAERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCN1CCCC1 ZINC000330063776 279084213 /nfs/dbraw/zinc/08/42/13/279084213.db2.gz BSWPZFFWDFYTKY-FMTVUPSXSA-N 0 0 308.469 0.253 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cnn(-c2ccccc2)c1 ZINC000548061595 288108098 /nfs/dbraw/zinc/10/80/98/288108098.db2.gz UZFNIHRIRJHZAM-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333108661 288111706 /nfs/dbraw/zinc/11/17/06/288111706.db2.gz DOZOQGVPBQLHON-CBBWQLFWSA-N 0 0 316.467 0.893 10 0 DCAERN Cn1ccc(CNC(=O)Nc2ccnn2C[C@H]2CCOC2)n1 ZINC000548177427 288118127 /nfs/dbraw/zinc/11/81/27/288118127.db2.gz DCNQXLIBUQWGQF-LLVKDONJSA-N 0 0 304.354 0.975 10 0 DCAERN Cn1nc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)ccc1=O ZINC000328658271 279396994 /nfs/dbraw/zinc/39/69/94/279396994.db2.gz QSXGDQWQFAIYOG-SWLSCSKDSA-N 0 0 314.345 0.825 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000176079598 279534899 /nfs/dbraw/zinc/53/48/99/279534899.db2.gz UBIRUTGYLSRNQN-JOYOIKCWSA-N 0 0 323.315 0.704 10 0 DCAERN O=C(NCc1cc[nH]n1)NCc1cccc(N2CCOCC2)n1 ZINC000548456880 288144942 /nfs/dbraw/zinc/14/49/42/288144942.db2.gz SLOOWMDIAUYOIU-UHFFFAOYSA-N 0 0 316.365 0.641 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000548504303 288148938 /nfs/dbraw/zinc/14/89/38/288148938.db2.gz MQWAYJIMMNVHQW-DTWKUNHWSA-N 0 0 315.399 0.653 10 0 DCAERN C[C@H](O)[C@H]1CCCN(C(=O)[C@](C)(O)Cn2ccccc2=O)C1 ZINC000548720682 288170618 /nfs/dbraw/zinc/17/06/18/288170618.db2.gz ICGAPPOKGCUJAH-HEHGZKQESA-N 0 0 308.378 0.219 10 0 DCAERN COc1nn(C)cc1NC(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000548746954 288172746 /nfs/dbraw/zinc/17/27/46/288172746.db2.gz ITNFFZOZRAJSEM-YGRLFVJLSA-N 0 0 310.354 0.840 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000548763665 288174439 /nfs/dbraw/zinc/17/44/39/288174439.db2.gz HKEXKKAXVJCGTQ-CABCVRRESA-N 0 0 322.409 0.559 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)NC(=O)CO2 ZINC000177523299 279894312 /nfs/dbraw/zinc/89/43/12/279894312.db2.gz JOWRMPBIQMVYGU-SNVBAGLBSA-N 0 0 313.317 0.874 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000548903984 288186231 /nfs/dbraw/zinc/18/62/31/288186231.db2.gz UHTANFIVTHZUHY-NSHDSACASA-N 0 0 305.382 0.753 10 0 DCAERN Cn1cc(-c2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C)cn1 ZINC000548923914 288187620 /nfs/dbraw/zinc/18/76/20/288187620.db2.gz WAAQDQOPMJQFQE-HNNXBMFYSA-N 0 0 315.381 0.322 10 0 DCAERN C[C@H]1OCCN(C(=O)C2CCN(CC(F)F)CC2)[C@@H]1C(N)=O ZINC000408063027 280054313 /nfs/dbraw/zinc/05/43/13/280054313.db2.gz OPRJHDJYLBSMIP-SKDRFNHKSA-N 0 0 319.352 0.065 10 0 DCAERN CC(C)[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCCC1=O ZINC000188734101 280151224 /nfs/dbraw/zinc/15/12/24/280151224.db2.gz VUZHWRCUSSCGID-DZGCQCFKSA-N 0 0 311.426 0.158 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000176606537 280359913 /nfs/dbraw/zinc/35/99/13/280359913.db2.gz DQPHJMADLDYREF-QWRGUYRKSA-N 0 0 306.370 0.279 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000332830852 280399193 /nfs/dbraw/zinc/39/91/93/280399193.db2.gz QVSASPMZXIPPCZ-QHSOUUPTSA-N 0 0 323.393 0.542 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000551942202 288247880 /nfs/dbraw/zinc/24/78/80/288247880.db2.gz NMUKGDMPOFCIFZ-APPZFPTMSA-N 0 0 312.370 0.468 10 0 DCAERN O=C(NCCn1cncn1)Nc1ccc2c(c1F)CCNC2=O ZINC000551958498 288250442 /nfs/dbraw/zinc/25/04/42/288250442.db2.gz FPBCXXRQRNEPLZ-UHFFFAOYSA-N 0 0 318.312 0.525 10 0 DCAERN COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552723485 288279662 /nfs/dbraw/zinc/27/96/62/288279662.db2.gz LUZCVCAGRNKAQV-HNNXBMFYSA-N 0 0 320.349 0.177 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCCOC)CCN1C[C@H](C)O ZINC000248477757 281172834 /nfs/dbraw/zinc/17/28/34/281172834.db2.gz OXWOJQRSCIFQQC-KBPBESRZSA-N 0 0 322.471 0.520 10 0 DCAERN COCCN1CCN(C(=O)NCCc2cc(C)no2)CC1=O ZINC000553985419 288311779 /nfs/dbraw/zinc/31/17/79/288311779.db2.gz CTXORDAEIZRCKG-UHFFFAOYSA-N 0 0 310.354 0.026 10 0 DCAERN Cc1cc(CCNC(=O)NCc2cnc(N(C)C)n2C)on1 ZINC000553999631 288312048 /nfs/dbraw/zinc/31/20/48/288312048.db2.gz KTAITEBXRZTPGA-UHFFFAOYSA-N 0 0 306.370 0.824 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@@H]2CCCCS2(=O)=O)on1 ZINC000554092920 288313333 /nfs/dbraw/zinc/31/33/33/288313333.db2.gz NFHKGHRXBRNCHT-LBPRGKRZSA-N 0 0 315.395 0.792 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000407983802 281389434 /nfs/dbraw/zinc/38/94/34/281389434.db2.gz FPFUWRYUZDKCOP-LLVKDONJSA-N 0 0 310.398 0.355 10 0 DCAERN CCc1noc(NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)n1 ZINC000333666478 281486319 /nfs/dbraw/zinc/48/63/19/281486319.db2.gz MYMHOAOVOUVOMG-LDYMZIIASA-N 0 0 309.370 0.869 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174007737 281490072 /nfs/dbraw/zinc/49/00/72/281490072.db2.gz KXEVACHNFDIKMJ-ZDUSSCGKSA-N 0 0 318.377 0.262 10 0 DCAERN CC1(CCS(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 ZINC000329808261 281556277 /nfs/dbraw/zinc/55/62/77/281556277.db2.gz BRXZUMNUVZHNOG-SNVBAGLBSA-N 0 0 310.441 0.259 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCC(OCCO)CC1 ZINC000555211772 288346204 /nfs/dbraw/zinc/34/62/04/288346204.db2.gz QBQVVTMUFTUVKA-CQSZACIVSA-N 0 0 322.409 0.980 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCOCC2CCC2)cs1 ZINC000555242059 288346866 /nfs/dbraw/zinc/34/68/66/288346866.db2.gz FYHQJXQZRXPXCI-UHFFFAOYSA-N 0 0 318.420 0.942 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1c1nncn1C ZINC000120122016 281938774 /nfs/dbraw/zinc/93/87/74/281938774.db2.gz OMPMYPQTBYYIIL-MNOVXSKESA-N 0 0 323.422 0.790 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000560471329 288505294 /nfs/dbraw/zinc/50/52/94/288505294.db2.gz LAABNIFZDTVUSF-NSHDSACASA-N 0 0 315.395 0.833 10 0 DCAERN CN(C(=O)N1CCC[C@H]1C(C)(C)O)[C@H]1CCS(=O)(=O)C1 ZINC000408015259 288822076 /nfs/dbraw/zinc/82/20/76/288822076.db2.gz ARPPIZVZGBMXTA-QWRGUYRKSA-N 0 0 304.412 0.461 10 0 DCAERN CN(C(=O)N[C@@H]1CCC[C@]1(C)CO)[C@@H]1CCS(=O)(=O)C1 ZINC000408019236 288854362 /nfs/dbraw/zinc/85/43/62/288854362.db2.gz XMDYKJISIFUCOS-NQBHXWOUSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000172489643 288935242 /nfs/dbraw/zinc/93/52/42/288935242.db2.gz QWTZKGFJLUIAKT-FIXISWKDSA-N 0 0 304.346 0.952 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1(F)F ZINC000408230423 288951331 /nfs/dbraw/zinc/95/13/31/288951331.db2.gz GHUHIQMGBUXETB-MXWKQRLJSA-N 0 0 322.377 0.219 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000153426454 288960196 /nfs/dbraw/zinc/96/01/96/288960196.db2.gz CKFZFCOXYLYJAQ-MRXNPFEDSA-N 0 0 307.394 0.540 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000122604406 289021556 /nfs/dbraw/zinc/02/15/56/289021556.db2.gz NLTXFHDMFDJQJA-GFCCVEGCSA-N 0 0 322.409 0.404 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000408224613 289228147 /nfs/dbraw/zinc/22/81/47/289228147.db2.gz GVVDAMYXWMVARP-ZYHUDNBSSA-N 0 0 304.412 0.294 10 0 DCAERN CN1N=C(C(=O)N2CCC(=O)Nc3ccccc32)CCC1=O ZINC000118619403 290313090 /nfs/dbraw/zinc/31/30/90/290313090.db2.gz KMLGAXJDIVYGKF-UHFFFAOYSA-N 0 0 300.318 0.970 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000172004894 290562359 /nfs/dbraw/zinc/56/23/59/290562359.db2.gz KUCOWYIYKAJHLP-YPMHNXCESA-N 0 0 319.336 0.989 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)N(C)C(C)C)[C@H]2C1 ZINC000246243532 293799737 /nfs/dbraw/zinc/79/97/37/293799737.db2.gz GJICMLKXBOPYKL-FRRDWIJNSA-N 0 0 306.428 0.840 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C[C@@H](C)O1 ZINC000408011908 297042409 /nfs/dbraw/zinc/04/24/09/297042409.db2.gz WIQNKBAZAZAKFM-GHMZBOCLSA-N 0 0 319.427 0.070 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C[C@@H](C)O1 ZINC000329548899 297050088 /nfs/dbraw/zinc/05/00/88/297050088.db2.gz DZYMYPRQDMNDAE-DDHJBXDOSA-N 0 0 317.411 0.391 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOCC23CCC3)C[C@@H](C)O1 ZINC000123703207 297051995 /nfs/dbraw/zinc/05/19/95/297051995.db2.gz KHLYSOMGNGIEFW-VXGBXAGGSA-N 0 0 304.412 0.595 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C[C@H](C)O1 ZINC000247329753 297054059 /nfs/dbraw/zinc/05/40/59/297054059.db2.gz GVFVSOVKDNBCSW-RQJABVFESA-N 0 0 318.439 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)[C@H](C)CO1 ZINC000176745168 297058744 /nfs/dbraw/zinc/05/87/44/297058744.db2.gz LUPMBCKOZCJMDT-GMTAPVOTSA-N 0 0 315.399 0.057 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120905336 294145578 /nfs/dbraw/zinc/14/55/78/294145578.db2.gz GSOMMWHYPPITDA-SECBINFHSA-N 0 0 313.317 0.468 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000375215548 294287883 /nfs/dbraw/zinc/28/78/83/294287883.db2.gz NUEMAEHHHKHNGD-AAVRWANBSA-N 0 0 321.439 0.867 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCSC[C@H]1CO ZINC000408389016 294534978 /nfs/dbraw/zinc/53/49/78/294534978.db2.gz YKMLZPJBQKYLJK-SSDOTTSWSA-N 0 0 311.816 0.172 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000091780889 295159082 /nfs/dbraw/zinc/15/90/82/295159082.db2.gz QVLYAIMLDDRMIB-MRVPVSSYSA-N 0 0 303.240 0.427 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000194270472 297130682 /nfs/dbraw/zinc/13/06/82/297130682.db2.gz GAQXJBZGHHYUSY-QLFBSQMISA-N 0 0 324.421 0.899 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC(=O)N1C ZINC000286882917 300166712 /nfs/dbraw/zinc/16/67/12/300166712.db2.gz 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302533583 /nfs/dbraw/zinc/53/35/83/302533583.db2.gz YNARGPQGAIXTNM-SKDRFNHKSA-N 0 0 317.349 0.290 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000176905942 302742112 /nfs/dbraw/zinc/74/21/12/302742112.db2.gz PMKAOFUFTHRHGL-VHSXEESVSA-N 0 0 315.439 0.765 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000329106578 302778364 /nfs/dbraw/zinc/77/83/64/302778364.db2.gz DKYJNAWRIBTZPC-NWDGAFQWSA-N 0 0 306.366 0.913 10 0 DCAERN Cn1nccc1[C@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)CC(=O)N1C ZINC000328903934 303092103 /nfs/dbraw/zinc/09/21/03/303092103.db2.gz IPERLNHSLGRGGJ-OZTPJHRESA-N 0 0 318.377 0.329 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000245741664 303307327 /nfs/dbraw/zinc/30/73/27/303307327.db2.gz GFSTZXGIZPUWDT-KEYYUXOJSA-N 0 0 300.358 0.603 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)NCCCC1CCCCC1 ZINC000092229667 303308201 /nfs/dbraw/zinc/30/82/01/303308201.db2.gz BTUPRXXZCNUOLV-AWEZNQCLSA-N 0 0 311.426 0.649 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408062544 303662267 /nfs/dbraw/zinc/66/22/67/303662267.db2.gz HLRUTSNTEOQKAW-MGPQQGTHSA-N 0 0 321.377 0.022 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000188284662 533705791 /nfs/dbraw/zinc/70/57/91/533705791.db2.gz WUFPKODNUPZIEY-CYBMUJFWSA-N 0 0 304.456 0.895 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCCc2ccc(F)c(F)c2)n1 ZINC000580225720 333028440 /nfs/dbraw/zinc/02/84/40/333028440.db2.gz ATKVCSFBXFNGJJ-UHFFFAOYSA-N 0 0 322.315 0.673 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000580258287 333042570 /nfs/dbraw/zinc/04/25/70/333042570.db2.gz WFCYGMXMPVXVFO-CYBMUJFWSA-N 0 0 321.421 0.511 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183968362 333190447 /nfs/dbraw/zinc/19/04/47/333190447.db2.gz XZDJWJCZQQDRPJ-JTQLQIEISA-N 0 0 324.406 0.864 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000190009834 336258585 /nfs/dbraw/zinc/25/85/85/336258585.db2.gz NMRMOIGGUMNHHI-ONGXEEELSA-N 0 0 318.420 0.575 10 0 DCAERN O=C(NC[C@H]1CCCn2ccnc21)C(=O)N1CCCSCC1 ZINC000580356827 336260003 /nfs/dbraw/zinc/26/00/03/336260003.db2.gz PDHCROUBMZSQQQ-GFCCVEGCSA-N 0 0 322.434 0.842 10 0 DCAERN CCN1CN(C(=O)CNC(=O)CCc2ccc(C)cc2)CC1=O ZINC000190483696 336264288 /nfs/dbraw/zinc/26/42/88/336264288.db2.gz MYJWAYJSWMAAOQ-UHFFFAOYSA-N 0 0 317.389 0.692 10 0 DCAERN Cn1ncnc1-c1ccc(OC[C@H](O)CN2CCOCC2)cc1 ZINC000190684124 336265496 /nfs/dbraw/zinc/26/54/96/336265496.db2.gz SIOAVPHVIBGPMB-CQSZACIVSA-N 0 0 318.377 0.554 10 0 DCAERN CCc1nnc(N2CCN3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC000582798707 337173738 /nfs/dbraw/zinc/17/37/38/337173738.db2.gz DIRKPROJSLBQBN-ZIAGYGMSSA-N 0 0 321.425 0.398 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NCCOCC1CCC1 ZINC000583786479 337332863 /nfs/dbraw/zinc/33/28/63/337332863.db2.gz OGJRSQBFFRWBPC-UHFFFAOYSA-N 0 0 306.428 0.591 10 0 DCAERN CCOC(=O)Cn1cc(I)c(N)nc1=O ZINC000584603548 337371154 /nfs/dbraw/zinc/37/11/54/337371154.db2.gz FYKAWBZDAUKUMW-UHFFFAOYSA-N 0 0 323.090 0.236 10 0 DCAERN CC(=O)c1ccc(-c2cnc(N)c(C(=O)NCCO)n2)s1 ZINC000584662268 337378368 /nfs/dbraw/zinc/37/83/68/337378368.db2.gz WGDLLPKGBFKCIY-UHFFFAOYSA-N 0 0 306.347 0.712 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000176335545 341869515 /nfs/dbraw/zinc/86/95/15/341869515.db2.gz KWVNYDZHBAUTMQ-SNVBAGLBSA-N 0 0 307.375 0.932 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000577002452 341875116 /nfs/dbraw/zinc/87/51/16/341875116.db2.gz HCBZPIJYTDPEBW-ZUZCIYMTSA-N 0 0 305.334 0.137 10 0 DCAERN O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC1CC1 ZINC000580584503 341881958 /nfs/dbraw/zinc/88/19/58/341881958.db2.gz NELZILWJAPXYIC-CMPLNLGQSA-N 0 0 304.412 0.141 10 0 DCAERN O=C(N[C@@H]1CCOC2(CCC2)C1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000577246384 341899943 /nfs/dbraw/zinc/89/99/43/341899943.db2.gz BYIBRZCLOGYGFE-KGLIPLIRSA-N 0 0 322.405 0.842 10 0 DCAERN C[C@@H]1c2nncn2CCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000577883852 341946376 /nfs/dbraw/zinc/94/63/76/341946376.db2.gz UZEJPZFQOBLJLT-MGPQQGTHSA-N 0 0 319.409 0.825 10 0 DCAERN C[C@@H](CNC(=O)CNC(=O)c1ccccn1)N1CCCCC1=O ZINC000191968624 533898157 /nfs/dbraw/zinc/89/81/57/533898157.db2.gz GMQOHZOKNBKWNW-LBPRGKRZSA-N 0 0 318.377 0.329 10 0 DCAERN C[C@H](O)C(=O)N1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000181527177 534038791 /nfs/dbraw/zinc/03/87/91/534038791.db2.gz VKZPZBIJFLDWST-NSHDSACASA-N 0 0 307.398 0.108 10 0 DCAERN COc1ccccc1NC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187654714 534169298 /nfs/dbraw/zinc/16/92/98/534169298.db2.gz SSHSDBWFXRMGON-CYBMUJFWSA-N 0 0 307.394 0.632 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184380193 518179666 /nfs/dbraw/zinc/17/96/66/518179666.db2.gz LEKGQENHINCHNX-KOLCDFICSA-N 0 0 303.362 0.978 10 0 DCAERN Cn1ccnc1N1CCC(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000332720850 518195370 /nfs/dbraw/zinc/19/53/70/518195370.db2.gz DJNSYJUBDHGEPS-MGPQQGTHSA-N 0 0 304.394 0.930 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)CNC(=O)c1cccnc1 ZINC000127260450 518984721 /nfs/dbraw/zinc/98/47/21/518984721.db2.gz XCGIHCPRISBHLN-OAQYLSRUSA-N 0 0 311.407 0.475 10 0 DCAERN CC(C)(C)n1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000116834979 519150007 /nfs/dbraw/zinc/15/00/07/519150007.db2.gz MEHPRKZYWPHIQQ-NSHDSACASA-N 0 0 314.411 0.402 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000191340384 519647213 /nfs/dbraw/zinc/64/72/13/519647213.db2.gz URUMJEUTQVZLBN-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)C1 ZINC000191480456 519647536 /nfs/dbraw/zinc/64/75/36/519647536.db2.gz MDWSRGDRZGRSJD-AWEZNQCLSA-N 0 0 318.377 0.441 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C1 ZINC000191488341 519648221 /nfs/dbraw/zinc/64/82/21/519648221.db2.gz VPQYMNHBXCCASC-AWEZNQCLSA-N 0 0 323.299 0.805 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000190531206 519648981 /nfs/dbraw/zinc/64/89/81/519648981.db2.gz JSTVWBLULSVJDL-LBPRGKRZSA-N 0 0 305.309 0.598 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156974160 519766903 /nfs/dbraw/zinc/76/69/03/519766903.db2.gz DFLJCKQUWOKCBH-SNVBAGLBSA-N 0 0 317.329 0.583 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)CNC(=O)c1cccnc1 ZINC000158538606 519774721 /nfs/dbraw/zinc/77/47/21/519774721.db2.gz HHHJEDDJZYMVJH-CYBMUJFWSA-N 0 0 307.394 0.972 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000365249385 519807129 /nfs/dbraw/zinc/80/71/29/519807129.db2.gz WXVMZPMBORCCFN-YRORDHRNSA-N 0 0 323.393 0.542 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCc1ccnn1C)CC2 ZINC000156623796 519871751 /nfs/dbraw/zinc/87/17/51/519871751.db2.gz ZWLFLAARDZIVPQ-LLVKDONJSA-N 0 0 317.397 0.949 10 0 DCAERN CCN(C(=O)CCc1ccnn1C)[C@@H](C)CS(C)(=O)=O ZINC000124323175 519908295 /nfs/dbraw/zinc/90/82/95/519908295.db2.gz ZAUSXWWPBUAZEH-NSHDSACASA-N 0 0 301.412 0.634 10 0 DCAERN CC(C)n1nnnc1CN(CCO)CCOCC(F)(F)F ZINC000112412744 520141582 /nfs/dbraw/zinc/14/15/82/520141582.db2.gz AKKCQANTPITBCT-UHFFFAOYSA-N 0 0 311.308 0.627 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)N(C)Cc1ccc(C)o1 ZINC000194231936 521678072 /nfs/dbraw/zinc/67/80/72/521678072.db2.gz XXVMSWHQIYRTHK-UHFFFAOYSA-N 0 0 303.384 0.669 10 0 DCAERN CNC(=O)c1ccc(N2CCC(c3ccnn3C)CC2)nn1 ZINC000266848049 521833106 /nfs/dbraw/zinc/83/31/06/521833106.db2.gz PUAQTGMBXTYBTN-UHFFFAOYSA-N 0 0 300.366 0.954 10 0 DCAERN CCc1nc(-c2ccc(C(=O)N3CC(NC(C)=O)C3)cc2)n[nH]1 ZINC000191503291 522144650 /nfs/dbraw/zinc/14/46/50/522144650.db2.gz UYEDLMQLXQUMJR-UHFFFAOYSA-N 0 0 313.361 0.995 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)COc2ccccc2OC)CC1 ZINC000131313508 522203948 /nfs/dbraw/zinc/20/39/48/522203948.db2.gz GUKPIRMLBAGGIF-CQSZACIVSA-N 0 0 322.405 0.989 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cc(OC)ccc2O)CC1 ZINC000129247098 522556837 /nfs/dbraw/zinc/55/68/37/522556837.db2.gz JFRSVOCKLXZGEB-LBPRGKRZSA-N 0 0 308.378 0.930 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188325138 522566561 /nfs/dbraw/zinc/56/65/61/522566561.db2.gz LUXBOAWQUCMXLD-UONOGXRCSA-N 0 0 323.368 0.997 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnnc2)ncn1 ZINC000132301071 522568646 /nfs/dbraw/zinc/56/86/46/522568646.db2.gz HIWNOPGSQVKMHX-GFCCVEGCSA-N 0 0 313.365 0.707 10 0 DCAERN CCc1noc2ncc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)cc12 ZINC000157367870 522925557 /nfs/dbraw/zinc/92/55/57/522925557.db2.gz BRPSIFDNGATOGZ-PRHODGIISA-N 0 0 318.333 0.500 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@@H](c2cccs2)C1 ZINC000157695976 523189936 /nfs/dbraw/zinc/18/99/36/523189936.db2.gz XIOOBPNHZSMAJC-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN CCn1cc([C@@H]2CN(CCN3C(=O)CCC3=O)CCO2)cn1 ZINC000190746180 523468063 /nfs/dbraw/zinc/46/80/63/523468063.db2.gz LKEQPPOCICGIAH-ZDUSSCGKSA-N 0 0 306.366 0.425 10 0 DCAERN CCn1ncc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc21 ZINC000189932592 523698643 /nfs/dbraw/zinc/69/86/43/523698643.db2.gz KVFYZVCKPFWLBE-CYBMUJFWSA-N 0 0 316.361 0.978 10 0 DCAERN CO[C@@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC[C@@H]1C ZINC000187937354 523729525 /nfs/dbraw/zinc/72/95/25/523729525.db2.gz PDZNNBWCITZJMW-GXFFZTMASA-N 0 0 318.377 0.757 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162907235 523759624 /nfs/dbraw/zinc/75/96/24/523759624.db2.gz FWXQMRLCBLKTBG-CQSZACIVSA-N 0 0 320.393 0.860 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccnc(C)n2)C[C@H]1C ZINC000117483010 523844596 /nfs/dbraw/zinc/84/45/96/523844596.db2.gz LCJQUXBCLFELFV-GFCCVEGCSA-N 0 0 307.398 0.647 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000166836820 523965493 /nfs/dbraw/zinc/96/54/93/523965493.db2.gz XPQKLLQHFTYXIF-ZDUSSCGKSA-N 0 0 303.362 0.925 10 0 DCAERN CN(C)C(=O)CCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151612731 523980836 /nfs/dbraw/zinc/98/08/36/523980836.db2.gz BFXVADGQKXTILV-UHFFFAOYSA-N 0 0 321.303 0.716 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000128108392 523989646 /nfs/dbraw/zinc/98/96/46/523989646.db2.gz JNOPSTIOXTYKHI-GFCCVEGCSA-N 0 0 323.780 0.648 10 0 DCAERN CN1C[C@@H](NC(=O)C[C@H](NC(N)=O)c2cccs2)CCC1=O ZINC000131020393 524010108 /nfs/dbraw/zinc/01/01/08/524010108.db2.gz ZKVPIXUCPLGRNF-UWVGGRQHSA-N 0 0 324.406 0.585 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000155835099 524021793 /nfs/dbraw/zinc/02/17/93/524021793.db2.gz ZZTWJFBGDGPKPM-NSHDSACASA-N 0 0 309.366 0.479 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000122332233 524071882 /nfs/dbraw/zinc/07/18/82/524071882.db2.gz JPPRXVNLZKMMMF-LLVKDONJSA-N 0 0 324.402 0.833 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCCn2ccnc2)cn1 ZINC000276356140 534758167 /nfs/dbraw/zinc/75/81/67/534758167.db2.gz RLBWTMXBZFEALY-UONOGXRCSA-N 0 0 318.381 0.836 10 0 DCAERN C[C@@H](C(=O)NCCc1nc(-c2ccccc2)n[nH]1)S(C)(=O)=O ZINC000189797687 524192893 /nfs/dbraw/zinc/19/28/93/524192893.db2.gz ASBKFBWDZVIUNV-JTQLQIEISA-N 0 0 322.390 0.564 10 0 DCAERN COc1ccc(F)cc1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000187905517 524312825 /nfs/dbraw/zinc/31/28/25/524312825.db2.gz GUTBFVCMRPTNJG-GFCCVEGCSA-N 0 0 322.340 0.753 10 0 DCAERN C[C@H](CN1CCNC(=O)[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000119318423 524346863 /nfs/dbraw/zinc/34/68/63/524346863.db2.gz CSMLISYYEFHKFB-OCCSQVGLSA-N 0 0 310.419 0.840 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000188045411 524466781 /nfs/dbraw/zinc/46/67/81/524466781.db2.gz GJTNGNPOYDNPQI-JKSUJKDBSA-N 0 0 321.421 0.528 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@H](CO)OC(C)(C)C2)no1 ZINC000163646934 524811916 /nfs/dbraw/zinc/81/19/16/524811916.db2.gz JFGYECHPUUVUPL-LLVKDONJSA-N 0 0 304.368 0.285 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)C2)[nH]n1 ZINC000124346711 524831992 /nfs/dbraw/zinc/83/19/92/524831992.db2.gz BGHHFCMBYDNEEX-GXSJLCMTSA-N 0 0 314.411 0.478 10 0 DCAERN C[C@@H]1CN(C(=O)c2occc2Br)C[C@H](C(N)=O)O1 ZINC000157374796 524888581 /nfs/dbraw/zinc/88/85/81/524888581.db2.gz VSALFWSTXGQTRS-HTRCEHHLSA-N 0 0 317.139 0.757 10 0 DCAERN Cc1cc(F)cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000266270806 524934677 /nfs/dbraw/zinc/93/46/77/524934677.db2.gz BAZHQIXLJAHKBU-GFCCVEGCSA-N 0 0 300.355 0.898 10 0 DCAERN Cc1cc(F)cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000266270808 524935245 /nfs/dbraw/zinc/93/52/45/524935245.db2.gz BAZHQIXLJAHKBU-LBPRGKRZSA-N 0 0 300.355 0.898 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@@H]1CCOC1 ZINC000266474335 525031712 /nfs/dbraw/zinc/03/17/12/525031712.db2.gz BAERBMVKPUHUTR-QWHCGFSZSA-N 0 0 305.382 0.733 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC1=O ZINC000189047929 525050920 /nfs/dbraw/zinc/05/09/20/525050920.db2.gz HZLUSFLSCPETLB-SNVBAGLBSA-N 0 0 322.386 0.572 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)N(C)C(C)C)CC2)n[nH]1 ZINC000189179605 525080942 /nfs/dbraw/zinc/08/09/42/525080942.db2.gz UHHDOWAXTMWFIC-UHFFFAOYSA-N 0 0 301.416 0.425 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000116833259 525208118 /nfs/dbraw/zinc/20/81/18/525208118.db2.gz PZKNWNQEUPYRIZ-ZYHUDNBSSA-N 0 0 310.375 0.313 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000116834692 525213580 /nfs/dbraw/zinc/21/35/80/525213580.db2.gz JCYKFYAYCHCVLS-ZDUSSCGKSA-N 0 0 308.403 0.868 10 0 DCAERN C[C@]1(c2cccnc2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000158501314 525333484 /nfs/dbraw/zinc/33/34/84/525333484.db2.gz SFZPSDGSZUDQIW-LDYMZIIASA-N 0 0 303.240 0.772 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(C(=O)NCc2ccnn2C)c1C ZINC000156407214 525427679 /nfs/dbraw/zinc/42/76/79/525427679.db2.gz LHUGMKBJQSXMBO-UHFFFAOYSA-N 0 0 322.390 0.614 10 0 DCAERN Cc1ccn(-c2ccccc2CNC(=O)C2(NC(N)=O)CC2)n1 ZINC000119744850 525562271 /nfs/dbraw/zinc/56/22/71/525562271.db2.gz ZIXIIOWGLZIZDT-UHFFFAOYSA-N 0 0 313.361 0.998 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000283652050 534876873 /nfs/dbraw/zinc/87/68/73/534876873.db2.gz WYJPLWHDVYFMBE-JTQLQIEISA-N 0 0 324.402 0.960 10 0 DCAERN Cc1cnn(CCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000118081777 526262207 /nfs/dbraw/zinc/26/22/07/526262207.db2.gz OWJGVPUTSBYMEN-RYUDHWBXSA-N 0 0 316.427 0.655 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCS(C)(=O)=O)C2)c1 ZINC000111750175 526265859 /nfs/dbraw/zinc/26/58/59/526265859.db2.gz AUSVZJYQMTUSHZ-GFCCVEGCSA-N 0 0 314.411 0.583 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)C2)c1 ZINC000267527396 526266063 /nfs/dbraw/zinc/26/60/63/526266063.db2.gz XVHOTDFJUHLPBO-QWHCGFSZSA-N 0 0 305.382 0.769 10 0 DCAERN O=C(NCCOCc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000364991275 526355547 /nfs/dbraw/zinc/35/55/47/526355547.db2.gz SJJPLDHUWJLYOY-MRXNPFEDSA-N 0 0 319.405 0.929 10 0 DCAERN Cc1csc([C@H]2CN(CCN3C(=O)CCC3=O)CCO2)n1 ZINC000157080472 526443740 /nfs/dbraw/zinc/44/37/40/526443740.db2.gz ACWKNSVXSSYMBP-LLVKDONJSA-N 0 0 309.391 0.974 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC000188351507 526515079 /nfs/dbraw/zinc/51/50/79/526515079.db2.gz SUEPJJGWSGAGMQ-LBPRGKRZSA-N 0 0 323.437 0.864 10 0 DCAERN Cc1noc(CCNC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC000161736428 526611796 /nfs/dbraw/zinc/61/17/96/526611796.db2.gz TYIHPTFWHAYOPT-UHFFFAOYSA-N 0 0 315.376 0.816 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000330905017 526678340 /nfs/dbraw/zinc/67/83/40/526678340.db2.gz AQVZNWHOFQROMB-MWLCHTKSSA-N 0 0 302.396 0.612 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3C[C@@H](C)O[C@@H](C(N)=O)C3)c12 ZINC000157565142 526680083 /nfs/dbraw/zinc/68/00/83/526680083.db2.gz BCDTZPSEMXSGOK-LDYMZIIASA-N 0 0 318.333 0.554 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1coc(-c2cccs2)n1 ZINC000111547314 526722411 /nfs/dbraw/zinc/72/24/11/526722411.db2.gz MWMSAPCOCHFBHK-UHFFFAOYSA-N 0 0 320.330 0.571 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000365939300 526791774 /nfs/dbraw/zinc/79/17/74/526791774.db2.gz ZXDFTCXAWPXCRC-CQSZACIVSA-N 0 0 322.336 0.664 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCN1C(=O)CCCC1=O)C1CCCC1 ZINC000330902538 526867941 /nfs/dbraw/zinc/86/79/41/526867941.db2.gz PRZYTNNORVOGDX-HNNXBMFYSA-N 0 0 323.393 0.337 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1CCCN1c1nccs1 ZINC000153376251 526883700 /nfs/dbraw/zinc/88/37/00/526883700.db2.gz YPXZJXVVDQPOML-RKDXNWHRSA-N 0 0 308.363 0.033 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1(O)CCC1 ZINC000192219399 526923224 /nfs/dbraw/zinc/92/32/24/526923224.db2.gz VXBHVAOJBUXNHR-CYBMUJFWSA-N 0 0 306.337 0.958 10 0 DCAERN NC(=O)NC(=O)CN1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153480964 526925199 /nfs/dbraw/zinc/92/51/99/526925199.db2.gz KDCXSUCWSKNQNM-UHFFFAOYSA-N 0 0 314.748 0.796 10 0 DCAERN NC(=O)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000158191851 526926597 /nfs/dbraw/zinc/92/65/97/526926597.db2.gz LTURXVSOOSCKIY-UHFFFAOYSA-N 0 0 324.768 0.179 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000193001247 526940422 /nfs/dbraw/zinc/94/04/22/526940422.db2.gz AOTDLOFLIHUSRN-VIFPVBQESA-N 0 0 324.768 0.719 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000249139964 526968469 /nfs/dbraw/zinc/96/84/69/526968469.db2.gz FLTRDPBDTNXUGP-SQNXGDPESA-N 0 0 304.350 0.446 10 0 DCAERN Cc1nc([C@@H]2COCCN2S(=O)(=O)N2CCC[C@@H]2C)no1 ZINC000364223129 527057494 /nfs/dbraw/zinc/05/74/94/527057494.db2.gz ZWXCJAOIBHZMAS-ONGXEEELSA-N 0 0 316.383 0.480 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)ccc2o1 ZINC000191229848 527123950 /nfs/dbraw/zinc/12/39/50/527123950.db2.gz HVKOXZULFIVSHP-QMMMGPOBSA-N 0 0 318.333 0.668 10 0 DCAERN Cn1cc(CNC(=O)CSCC(N)=O)c(C(F)(F)F)n1 ZINC000153977548 527209398 /nfs/dbraw/zinc/20/93/98/527209398.db2.gz GKUWLDLBMUMZHP-UHFFFAOYSA-N 0 0 310.301 0.274 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ccn(C)c(=O)c3)C2)cn1 ZINC000154450553 527247009 /nfs/dbraw/zinc/24/70/09/527247009.db2.gz OEVNKWPHQGAUEB-ZDUSSCGKSA-N 0 0 315.377 0.518 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187681890 527299137 /nfs/dbraw/zinc/29/91/37/527299137.db2.gz AOTDGWTVCPPGFH-ZDUSSCGKSA-N 0 0 319.405 0.826 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2cncc(O)c2)cc1 ZINC000111686514 527313920 /nfs/dbraw/zinc/31/39/20/527313920.db2.gz HXCXLHRQPMSAJE-UHFFFAOYSA-N 0 0 307.331 0.365 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000128598546 527316302 /nfs/dbraw/zinc/31/63/02/527316302.db2.gz PZJGHHRZACRBSD-QWHCGFSZSA-N 0 0 305.382 0.887 10 0 DCAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120963943 527489127 /nfs/dbraw/zinc/48/91/27/527489127.db2.gz ROQOCXAYBXGMHN-VIFPVBQESA-N 0 0 302.281 0.070 10 0 DCAERN O=C(NC1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)C1)C1CC1 ZINC000189394058 527541538 /nfs/dbraw/zinc/54/15/38/527541538.db2.gz OKBYFUYZSYHFNB-HNNXBMFYSA-N 0 0 313.357 0.917 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CCc2ccccc2)C1)C1CC1 ZINC000187931104 527543262 /nfs/dbraw/zinc/54/32/62/527543262.db2.gz JQSYCTDPPXPBKP-UHFFFAOYSA-N 0 0 308.403 0.769 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000228063995 527572308 /nfs/dbraw/zinc/57/23/08/527572308.db2.gz UVIMNOSVANHMQD-WPRPVWTQSA-N 0 0 307.803 0.903 10 0 DCAERN Cn1nccc1CCC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000124589091 527603807 /nfs/dbraw/zinc/60/38/07/527603807.db2.gz FQYHVCLAGYSEKF-UHFFFAOYSA-N 0 0 302.334 0.856 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCO1 ZINC000155323247 527788269 /nfs/dbraw/zinc/78/82/69/527788269.db2.gz JSDKOHMVMAJQIS-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000330904854 528453428 /nfs/dbraw/zinc/45/34/28/528453428.db2.gz CYRJLHLOQRWJGB-RYUDHWBXSA-N 0 0 305.444 0.700 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C1(C(=O)NC[C@H](O)C(C)C)CCC1 ZINC000178476450 528628570 /nfs/dbraw/zinc/62/85/70/528628570.db2.gz SQRYCIAJYLEXQP-STQMWFEESA-N 0 0 314.426 0.423 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)S(C)(=O)=O)CC[S@@]1=O ZINC000186717469 529072120 /nfs/dbraw/zinc/07/21/20/529072120.db2.gz YEVOGPOAGQIAEI-XTZNXHDOSA-N 0 0 309.453 0.569 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000177706167 529135314 /nfs/dbraw/zinc/13/53/14/529135314.db2.gz QICAKOKSFDDMQF-AVGNSLFASA-N 0 0 324.425 0.729 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000284593635 536151254 /nfs/dbraw/zinc/15/12/54/536151254.db2.gz MMFIWSBRRHLGPH-QWHCGFSZSA-N 0 0 307.398 0.919 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592822 545649692 /nfs/dbraw/zinc/64/96/92/545649692.db2.gz RISRECJHVDHIIE-JTQLQIEISA-N 0 0 301.343 0.307 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000057946681 545656351 /nfs/dbraw/zinc/65/63/51/545656351.db2.gz RFGXGABZLODUMC-STQMWFEESA-N 0 0 302.415 0.389 10 0 DCAERN C[C@@]([NH3+])(CCn1cc(I)cn1)C(=O)[O-] ZINC000070678471 545661507 /nfs/dbraw/zinc/66/15/07/545661507.db2.gz SMJJJJXNHCEKLI-MRVPVSSYSA-N 0 0 309.107 0.680 10 0 DCAERN CCOc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000074863433 545673610 /nfs/dbraw/zinc/67/36/10/545673610.db2.gz NWKNGWCPNDCYHE-NSHDSACASA-N 0 0 312.391 0.842 10 0 DCAERN O=C1CC[C@@H](CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)N1 ZINC000079925780 545688839 /nfs/dbraw/zinc/68/88/39/545688839.db2.gz GWHNGPODWAQLNJ-CMPLNLGQSA-N 0 0 312.366 0.912 10 0 DCAERN NC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000119698991 545739499 /nfs/dbraw/zinc/73/94/99/545739499.db2.gz GCKPDZOIWPCIAV-QMMMGPOBSA-N 0 0 323.299 0.452 10 0 DCAERN O=C(CCCc1ccccn1)NC[C@@H](O)CN1CCOCC1 ZINC000128064130 545778736 /nfs/dbraw/zinc/77/87/36/545778736.db2.gz CNVZUMNQXLIKPH-OAHLLOKOSA-N 0 0 307.394 0.214 10 0 DCAERN Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CC(=O)N(C3CC3)C1)CC2 ZINC000164471127 545876233 /nfs/dbraw/zinc/87/62/33/545876233.db2.gz IQEPDSFMYBXOBT-WDEREUQCSA-N 0 0 302.378 0.703 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000177468478 545891587 /nfs/dbraw/zinc/89/15/87/545891587.db2.gz SMMTYQWAUZKYRC-NSHDSACASA-N 0 0 304.350 0.653 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)C(C)C ZINC000179083055 545897852 /nfs/dbraw/zinc/89/78/52/545897852.db2.gz OESPZDQZVRCYRU-LBPRGKRZSA-N 0 0 321.381 0.118 10 0 DCAERN COCC(=O)N(C)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000179597999 545899297 /nfs/dbraw/zinc/89/92/97/545899297.db2.gz BUODGNLCIGYFDR-ZDUSSCGKSA-N 0 0 308.378 0.813 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCOCC1 ZINC000180024283 545900253 /nfs/dbraw/zinc/90/02/53/545900253.db2.gz XMYNRUPKTSFXJV-UONOGXRCSA-N 0 0 305.378 0.951 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000182402975 545904871 /nfs/dbraw/zinc/90/48/71/545904871.db2.gz GTDNGIMRMMBDPR-KBPBESRZSA-N 0 0 320.455 0.274 10 0 DCAERN CC(C)c1ccnc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000186498863 545915113 /nfs/dbraw/zinc/91/51/13/545915113.db2.gz MJWXAALTMYRKPJ-GFCCVEGCSA-N 0 0 317.393 0.385 10 0 DCAERN CCOc1cnc(C(=O)NCCc2nnc3n2CCCC3)cn1 ZINC000188655897 545918352 /nfs/dbraw/zinc/91/83/52/545918352.db2.gz LQLFBFIWFDRDQY-UHFFFAOYSA-N 0 0 316.365 0.776 10 0 DCAERN CCN1CN(C(=O)c2cnc3sc(C)cn3c2=O)CC1=O ZINC000190511675 545924134 /nfs/dbraw/zinc/92/41/34/545924134.db2.gz PBLJUBOXDHLUOM-UHFFFAOYSA-N 0 0 306.347 0.326 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000193918558 545932064 /nfs/dbraw/zinc/93/20/64/545932064.db2.gz SDPYIDBTFCPRRK-IUCAKERBSA-N 0 0 309.395 0.926 10 0 DCAERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1n[nH]c(C(C)(C)C)n1 ZINC000195168343 545934398 /nfs/dbraw/zinc/93/43/98/545934398.db2.gz WWWBIZIIKYYPQW-MRVPVSSYSA-N 0 0 323.440 0.557 10 0 DCAERN O=C1NCC[C@@H]1NS(=O)(=O)c1ccccc1Br ZINC000224701161 545942368 /nfs/dbraw/zinc/94/23/68/545942368.db2.gz CJIVMMRQJYYENI-QMMMGPOBSA-N 0 0 319.180 0.616 10 0 DCAERN Cc1cc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)ncn1 ZINC000328643805 546037855 /nfs/dbraw/zinc/03/78/55/546037855.db2.gz YYHGVGSQNOLBSV-LBPRGKRZSA-N 0 0 300.366 0.960 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@@H]1CCCC[C@@H]1CO ZINC000332853843 546063253 /nfs/dbraw/zinc/06/32/53/546063253.db2.gz WBKPTVFOKUFXLB-FVCCEPFGSA-N 0 0 309.370 0.068 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC000332866242 546064278 /nfs/dbraw/zinc/06/42/78/546064278.db2.gz SRBBULCKEVWYEF-DOMZBBRYSA-N 0 0 321.469 0.720 10 0 DCAERN Cc1cnc(N2CCC[C@@](O)(C(N)=O)C2)c(Br)c1 ZINC000381172421 546215494 /nfs/dbraw/zinc/21/54/94/546215494.db2.gz XQRYQTGPVVKIBP-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2F)C1 ZINC000401871891 546226027 /nfs/dbraw/zinc/22/60/27/546226027.db2.gz CKQJIBGEYGAAKV-ZDUSSCGKSA-N 0 0 303.355 0.988 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000401869010 546225843 /nfs/dbraw/zinc/22/58/43/546225843.db2.gz ASITZMXUEFKKMI-QWHCGFSZSA-N 0 0 306.428 0.436 10 0 DCAERN C[C@H]([C@H](C)O)N1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000446807306 546258501 /nfs/dbraw/zinc/25/85/01/546258501.db2.gz AAPXPYMFVWOVFO-CEFVDNRUSA-N 0 0 305.334 0.322 10 0 DCAERN O=S1(=O)CCCN1CCCNc1nccc(C(F)(F)F)n1 ZINC000585744726 546303952 /nfs/dbraw/zinc/30/39/52/546303952.db2.gz REOOLZXPHPILBK-UHFFFAOYSA-N 0 0 324.328 1.333 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C[NH3+])c2C(=O)[O-])C1 ZINC000675053387 547658152 /nfs/dbraw/zinc/65/81/52/547658152.db2.gz NIGPEPASBWZJMF-QMMMGPOBSA-N 0 0 311.342 0.617 10 0 DCAERN C[C@@H](CN[C@H]1CCS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000681394948 548245521 /nfs/dbraw/zinc/24/55/21/548245521.db2.gz YEDCTNNNYWXBCP-JQWIXIFHSA-N 0 0 317.432 0.928 10 0 DCAERN COCC1(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000888098639 661177833 /nfs/dbraw/zinc/17/78/33/661177833.db2.gz JNYMDSJCFUFXMQ-GHMZBOCLSA-N 0 0 305.396 0.015 10 0 DCAERN COCCN1C[C@@H](C(=O)O[C@H](C)CCn2cccn2)CC1=O ZINC000180331227 665434738 /nfs/dbraw/zinc/43/47/38/665434738.db2.gz WXNWGKHZZFDIBC-OLZOCXBDSA-N 0 0 309.366 0.700 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@H](N2CCOCC2)C1 ZINC000246836346 657461407 /nfs/dbraw/zinc/46/14/07/657461407.db2.gz DEDFHCRAAYWMGZ-RRFJBIMHSA-N 0 0 319.405 0.302 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000176032884 657528858 /nfs/dbraw/zinc/52/88/58/657528858.db2.gz OKMGYKSHKXODOX-NEPJUHHUSA-N 0 0 305.444 0.545 10 0 DCAERN O=S(=O)(/C=C\c1ccccc1)NC[C@H]1CN2CCN1CC2 ZINC000255121346 657602520 /nfs/dbraw/zinc/60/25/20/657602520.db2.gz DTPGSRPREMBMHC-FTXNUJCXSA-N 0 0 307.419 0.577 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc(N2CCCC2)cc1 ZINC000074728812 657638355 /nfs/dbraw/zinc/63/83/55/657638355.db2.gz SOCZCDKFWGSRDF-LBPRGKRZSA-N 0 0 302.334 0.823 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCC[C@@H]1C(N)=O ZINC000255574475 657644038 /nfs/dbraw/zinc/64/40/38/657644038.db2.gz HVFOJFYKORDAHQ-WCQYABFASA-N 0 0 319.409 0.554 10 0 DCAERN CCn1ccnc1CN1CCN(c2nc(C)cc(N)n2)CC1 ZINC000892352400 657697372 /nfs/dbraw/zinc/69/73/72/657697372.db2.gz HQJCHHHCDXGRPZ-UHFFFAOYSA-N 0 0 301.398 0.906 10 0 DCAERN CCn1ncn(NC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)c1=O ZINC000722608117 657714896 /nfs/dbraw/zinc/71/48/96/657714896.db2.gz CSZICJSOTYDHGG-VIFPVBQESA-N 0 0 311.342 0.144 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000176074269 657797554 /nfs/dbraw/zinc/79/75/54/657797554.db2.gz BTZARIRWTBALIV-GFCCVEGCSA-N 0 0 304.354 0.692 10 0 DCAERN Cc1ncc(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)s1 ZINC000254925329 657826148 /nfs/dbraw/zinc/82/61/48/657826148.db2.gz IRIFOPROSJQFDC-PLNGDYQASA-N 0 0 321.358 0.606 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000176142853 657889379 /nfs/dbraw/zinc/88/93/79/657889379.db2.gz LAVSDTYAVHPSAG-QWHCGFSZSA-N 0 0 302.330 0.853 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N2CCOC[C@@H]2CO)c1 ZINC000168674946 657965074 /nfs/dbraw/zinc/96/50/74/657965074.db2.gz DYSPMWQZCYQJJU-JTQLQIEISA-N 0 0 317.363 0.086 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)C(C)C ZINC000178455322 658018788 /nfs/dbraw/zinc/01/87/88/658018788.db2.gz KRDMJRQHIKYYGK-STQMWFEESA-N 0 0 311.357 0.929 10 0 DCAERN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000724184752 658039930 /nfs/dbraw/zinc/03/99/30/658039930.db2.gz OZQCPOOOPMMDKC-DTWKUNHWSA-N 0 0 304.393 0.645 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H](CCO)C2CCCC2)cn1C ZINC000725041617 658080490 /nfs/dbraw/zinc/08/04/90/658080490.db2.gz JAFYHGWQXZBLEN-LBPRGKRZSA-N 0 0 301.412 0.948 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000170203729 658104259 /nfs/dbraw/zinc/10/42/59/658104259.db2.gz BZHCIYHFQRTFOC-INIZCTEOSA-N 0 0 301.346 0.997 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1C[C@H](O)C[C@]1(C)CO ZINC000725118062 658149454 /nfs/dbraw/zinc/14/94/54/658149454.db2.gz PZOOOXNZIGRZHB-ZYHUDNBSSA-N 0 0 305.421 0.871 10 0 DCAERN COc1cc(OC)c(OC)cc1CN[C@H]1CCS(=O)(=O)C1 ZINC000021811981 658320022 /nfs/dbraw/zinc/32/00/22/658320022.db2.gz LLPBMTUXLBEROH-NSHDSACASA-N 0 0 315.391 0.989 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC[C@H](O)C1(C)C ZINC000310473777 658648875 /nfs/dbraw/zinc/64/88/75/658648875.db2.gz JLYGOZPRJMLCEX-LURJTMIESA-N 0 0 303.160 0.563 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)CNCC(F)(F)F)c1 ZINC000888077219 658717389 /nfs/dbraw/zinc/71/73/89/658717389.db2.gz UKMCUTYXBGGBFK-IQJOONFLSA-N 0 0 306.288 0.134 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000300569422 667887823 /nfs/dbraw/zinc/88/78/23/667887823.db2.gz JQGXNNVYKTVPSL-UPJWGTAASA-N 0 0 302.440 0.848 10 0 DCAERN CCS[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000300637994 667888014 /nfs/dbraw/zinc/88/80/14/667888014.db2.gz CSPBZZVCFCBFDY-QJPTWQEYSA-N 0 0 320.480 0.554 10 0 DCAERN C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000155775052 658878594 /nfs/dbraw/zinc/87/85/94/658878594.db2.gz SPMZITWPRLUHIL-YPMHNXCESA-N 0 0 313.357 0.719 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000125339449 659116754 /nfs/dbraw/zinc/11/67/54/659116754.db2.gz VQMREAHZJFRHGY-DGCLKSJQSA-N 0 0 313.361 0.993 10 0 DCAERN C[C@@H](CCn1cccn1)OC(=O)CN1CCCS1(=O)=O ZINC000183879280 659198994 /nfs/dbraw/zinc/19/89/94/659198994.db2.gz GFRWVYUFTMCAPQ-NSHDSACASA-N 0 0 301.368 0.240 10 0 DCAERN C=C(Cl)CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000077791609 659282453 /nfs/dbraw/zinc/28/24/53/659282453.db2.gz KXDIEBSUHRHWGH-UHFFFAOYSA-N 0 0 303.771 0.886 10 0 DCAERN Cc1n[nH]nc1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000188568509 659338989 /nfs/dbraw/zinc/33/89/89/659338989.db2.gz CNTIDWOSDCBDBJ-MRVPVSSYSA-N 0 0 306.351 0.813 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313938734 659507354 /nfs/dbraw/zinc/50/73/54/659507354.db2.gz YGCPAUVFCTUBEY-GFCCVEGCSA-N 0 0 320.798 0.551 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(CCO)[C@@H](C)C2)[nH]1 ZINC000333240489 659776301 /nfs/dbraw/zinc/77/63/01/659776301.db2.gz IKNAMQRWDPPXSC-JTQLQIEISA-N 0 0 303.366 0.405 10 0 DCAERN CCn1cc(C2CCN(CN3CC(=O)N(C)C3=O)CC2)cn1 ZINC000182282237 665769948 /nfs/dbraw/zinc/76/99/48/665769948.db2.gz OBDFNEMBGZFFPJ-UHFFFAOYSA-N 0 0 305.382 0.934 10 0 DCAERN CC[C@H]1CN(CN2CC(=O)N(C)C2=O)CCN1CC(F)F ZINC000182294611 665775793 /nfs/dbraw/zinc/77/57/93/665775793.db2.gz GZTFYRWOOXZZMG-JTQLQIEISA-N 0 0 304.341 0.499 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NCC(=O)NC(C)C)C1 ZINC000222633931 661625204 /nfs/dbraw/zinc/62/52/04/661625204.db2.gz XUZVMBMKIWVYCO-ZDUSSCGKSA-N 0 0 318.377 0.168 10 0 DCAERN OC[C@@H]1COCCN1c1ncc(I)cn1 ZINC000126298802 661687666 /nfs/dbraw/zinc/68/76/66/661687666.db2.gz AGYNSDRAVCQGOK-MRVPVSSYSA-N 0 0 321.118 0.279 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCNC[C@H]1c1cccnc1 ZINC000261828691 661732730 /nfs/dbraw/zinc/73/27/30/661732730.db2.gz YMPKCBSHIDQIQB-KGLIPLIRSA-N 0 0 311.407 0.537 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000726916604 661963478 /nfs/dbraw/zinc/96/34/78/661963478.db2.gz SRAVZRXMQQLKCS-VXGBXAGGSA-N 0 0 314.407 0.662 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)Cc2ccn(C)n2)C1 ZINC000183305124 666023773 /nfs/dbraw/zinc/02/37/73/666023773.db2.gz WLLUPFWUORKNOM-ZDUSSCGKSA-N 0 0 309.366 0.533 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000182820798 665915960 /nfs/dbraw/zinc/91/59/60/665915960.db2.gz JQODULCVXFNTQX-OAHLLOKOSA-N 0 0 322.340 0.924 10 0 DCAERN CCCCNC(=O)C1CCN(Cn2cc(C(=O)OC)nn2)CC1 ZINC000042095167 663111461 /nfs/dbraw/zinc/11/14/61/663111461.db2.gz WNRXICTVWNYUEQ-UHFFFAOYSA-N 0 0 323.397 0.651 10 0 DCAERN Cc1cc(C)n([C@H]2CCCN(C(=O)[C@H]3OCCN(C)C3=O)C2)n1 ZINC000900605834 663260569 /nfs/dbraw/zinc/26/05/69/663260569.db2.gz ZHYJNMSTEVWCAS-KBPBESRZSA-N 0 0 320.393 0.521 10 0 DCAERN O=C(NC[C@@H](O)C(F)(F)F)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900956092 663297444 /nfs/dbraw/zinc/29/74/44/663297444.db2.gz UGMTWPWHEZOIQU-XWKBEBHTSA-N 0 0 311.325 0.984 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cccc(Br)c2)C1 ZINC000042418957 663335009 /nfs/dbraw/zinc/33/50/09/663335009.db2.gz GOZNOQQHHAUMBR-GHMZBOCLSA-N 0 0 320.208 0.697 10 0 DCAERN O=C(CNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O)NCC1CC1 ZINC000901356447 663341444 /nfs/dbraw/zinc/34/14/44/663341444.db2.gz YHAWZMYALCPXJH-YOGCLGLASA-N 0 0 310.419 0.587 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)[nH]1 ZINC000436189839 663431153 /nfs/dbraw/zinc/43/11/53/663431153.db2.gz UVPLNCOJIVWHEN-WCBMZHEXSA-N 0 0 303.322 0.029 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc2C1)[S@](=O)C[C@H](O)CO ZINC000905185460 663537096 /nfs/dbraw/zinc/53/70/96/663537096.db2.gz YWTBGJPFGOPHOD-HQHPYACNSA-N 0 0 311.403 0.062 10 0 DCAERN CNc1nc(C)ccc1C(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000908087540 663731217 /nfs/dbraw/zinc/73/12/17/663731217.db2.gz WKPJGOOMWQUHCT-NSHDSACASA-N 0 0 302.338 0.764 10 0 DCAERN C/C=C\[C@H](O)C(=O)N1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000908104836 663733769 /nfs/dbraw/zinc/73/37/69/663733769.db2.gz VNLRDJOZNDUOMR-VMPYYGSESA-N 0 0 307.394 0.935 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c2c1CCCC2 ZINC000909189147 663785909 /nfs/dbraw/zinc/78/59/09/663785909.db2.gz WYIGUQRTVBMTEK-OSAQELSMSA-N 0 0 315.377 0.600 10 0 DCAERN Cc1ccc(CNC(=O)NCC(=O)N2CCOC[C@H]2CO)cc1 ZINC000912427984 664175132 /nfs/dbraw/zinc/17/51/32/664175132.db2.gz PCUVDVQNTCDDDZ-CQSZACIVSA-N 0 0 321.377 0.014 10 0 DCAERN CCCn1cc(NC(=O)C(=O)NCc2cccc(OC)n2)cn1 ZINC000156361037 664366714 /nfs/dbraw/zinc/36/67/14/664366714.db2.gz DCKFJPRCNLVWNU-UHFFFAOYSA-N 0 0 317.349 0.952 10 0 DCAERN C[C@@]1(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CCCS1 ZINC000156923096 664395075 /nfs/dbraw/zinc/39/50/75/664395075.db2.gz MSRMCZRMBNZUIJ-JQWIXIFHSA-N 0 0 306.453 0.165 10 0 DCAERN CCOC(=O)CNC(=O)CCn1ncc2c1c(C)nn2CC ZINC000223878683 664426390 /nfs/dbraw/zinc/42/63/90/664426390.db2.gz QMYIPUXESPXYCX-UHFFFAOYSA-N 0 0 307.354 0.631 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000045812102 664468904 /nfs/dbraw/zinc/46/89/04/664468904.db2.gz DTFBLYSLMKBZLX-SNVBAGLBSA-N 0 0 304.350 0.486 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@H]1CO ZINC000168658691 664527388 /nfs/dbraw/zinc/52/73/88/664527388.db2.gz RTRMDPZJBQUFGG-SNVBAGLBSA-N 0 0 321.782 0.730 10 0 DCAERN O=S(=O)(CCN1CCOC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000168802623 664533085 /nfs/dbraw/zinc/53/30/85/664533085.db2.gz FTXJKVUQKJUWJM-LBPRGKRZSA-N 0 0 319.810 0.807 10 0 DCAERN CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCS(N)(=O)=O)(C3)C2 ZINC000228385364 664557644 /nfs/dbraw/zinc/55/76/44/664557644.db2.gz MVHQNBWOKDVWHH-WHCAJBEMSA-N 0 0 300.424 0.998 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@H](C(=O)OC)[C@H](C)C2)c1 ZINC000228790163 664576729 /nfs/dbraw/zinc/57/67/29/664576729.db2.gz XHKUHDBSJRDWRH-ZJUUUORDSA-N 0 0 301.368 0.333 10 0 DCAERN C=CC(=O)NCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000172914400 664625575 /nfs/dbraw/zinc/62/55/75/664625575.db2.gz RCCOSELWPIOCTM-UHFFFAOYSA-N 0 0 319.336 0.985 10 0 DCAERN CC1(C)CCN(S(=O)(=O)c2cnc(N)nc2)CCS1 ZINC000231064964 664625858 /nfs/dbraw/zinc/62/58/58/664625858.db2.gz LQJGXHYSIFEFAC-UHFFFAOYSA-N 0 0 302.425 0.965 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)no1 ZINC000173684630 664630686 /nfs/dbraw/zinc/63/06/86/664630686.db2.gz BZMFIWAVPNQNTO-LLVKDONJSA-N 0 0 310.379 0.452 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ncccn1 ZINC000730309536 664682891 /nfs/dbraw/zinc/68/28/91/664682891.db2.gz IJYZBHGVOULMKU-PSASIEDQSA-N 0 0 324.362 0.268 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ncccn1 ZINC000730309552 664682935 /nfs/dbraw/zinc/68/29/35/664682935.db2.gz IJYZBHGVOULMKU-WPRPVWTQSA-N 0 0 324.362 0.268 10 0 DCAERN COCCn1cnn(CN2CCS(=O)(=O)[C@@H](C)C2)c1=S ZINC000151570840 664701426 /nfs/dbraw/zinc/70/14/26/664701426.db2.gz XOJCHCXNSRZJSB-JTQLQIEISA-N 0 0 320.440 0.137 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCC[C@@H]1O ZINC000089162836 664726696 /nfs/dbraw/zinc/72/66/96/664726696.db2.gz WLRWWNKMZDDQOP-MXWKQRLJSA-N 0 0 307.437 0.184 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000313282629 664744138 /nfs/dbraw/zinc/74/41/38/664744138.db2.gz DFNKALGPKGSJOE-QWRGUYRKSA-N 0 0 304.412 0.030 10 0 DCAERN O=C(Cn1ncc2ccccc21)OCCN1C(=O)CCC1=O ZINC000730636669 664798956 /nfs/dbraw/zinc/79/89/56/664798956.db2.gz BJYGPGPWCWKSJZ-UHFFFAOYSA-N 0 0 301.302 0.729 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000741424564 664842049 /nfs/dbraw/zinc/84/20/49/664842049.db2.gz ZRPIJUWOPRVLGR-YBTHPKLGSA-N 0 0 302.396 0.498 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)NCCc1ccccc1O ZINC000731758747 664882812 /nfs/dbraw/zinc/88/28/12/664882812.db2.gz GKRKCBCCYBONQJ-UHFFFAOYSA-N 0 0 315.395 0.173 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)c1ccsc1)N1CCOCC1 ZINC000153622032 664924890 /nfs/dbraw/zinc/92/48/90/664924890.db2.gz KDGVDOJMZFVSHZ-WCQYABFASA-N 0 0 313.423 0.801 10 0 DCAERN O=C(/C=C\C1CCOCC1)NCCCN1CCCS1(=O)=O ZINC000732659748 664950290 /nfs/dbraw/zinc/95/02/90/664950290.db2.gz XROOYKPBEHUEFB-ARJAWSKDSA-N 0 0 316.423 0.511 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCN1CCSCC1 ZINC000732777404 664959384 /nfs/dbraw/zinc/95/93/84/664959384.db2.gz KZBQJOXEPYVCHQ-NSHDSACASA-N 0 0 303.453 0.073 10 0 DCAERN COC(CN(CCCO)Cc1nnc(C2CCC2)n1C)OC ZINC000183663328 666089367 /nfs/dbraw/zinc/08/93/67/666089367.db2.gz JWLJWFFHEXOZOE-UHFFFAOYSA-N 0 0 312.414 0.886 10 0 DCAERN C[C@H]1CC(OC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000184239389 666192097 /nfs/dbraw/zinc/19/20/97/666192097.db2.gz SDZADXSGTKHSPV-UWVGGRQHSA-N 0 0 320.349 0.629 10 0 DCAERN Cn1c2ccncc2n(CN2CCO[C@]3(CCOC3)C2)c1=O ZINC000184275385 666192889 /nfs/dbraw/zinc/19/28/89/666192889.db2.gz ZAEDQZCEVCQEPL-OAHLLOKOSA-N 0 0 304.350 0.184 10 0 DCAERN Cn1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1=O ZINC000186633505 666558011 /nfs/dbraw/zinc/55/80/11/666558011.db2.gz YSXOWMNUSFENCD-UHFFFAOYSA-N 0 0 303.362 0.470 10 0 DCAERN Cn1nccc1CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000186732113 666586149 /nfs/dbraw/zinc/58/61/49/666586149.db2.gz AGNWCWQMOREXPQ-AWEZNQCLSA-N 0 0 307.398 0.079 10 0 DCAERN Cn1ncc(C(=O)NC[C@H]2COCCN2C)c1Br ZINC000700141923 666685722 /nfs/dbraw/zinc/68/57/22/666685722.db2.gz BTRNMVNBMYPFOC-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN CNC(=O)NC(=O)COC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733574102 666767451 /nfs/dbraw/zinc/76/74/51/666767451.db2.gz GVMGHHHMHFHRKT-UHFFFAOYSA-N 0 0 314.729 0.413 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000733880135 666823591 /nfs/dbraw/zinc/82/35/91/666823591.db2.gz SPXHWXCMPOTRAL-MQJDWESPSA-N 0 0 312.391 0.513 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1c2ccccc2n(C)c1=O ZINC000733882563 666823601 /nfs/dbraw/zinc/82/36/01/666823601.db2.gz OBGHMJWJILUGSD-NRFANRHFSA-N 0 0 309.391 0.225 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000733898493 666824468 /nfs/dbraw/zinc/82/44/68/666824468.db2.gz KUZSPPUOQQVKHH-GOSISDBHSA-N 0 0 303.405 0.668 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NCC[S@](=O)CC ZINC000733960790 666832299 /nfs/dbraw/zinc/83/22/99/666832299.db2.gz NSMAVKGDGUERET-OAQYLSRUSA-N 0 0 306.387 0.998 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000733960849 666832334 /nfs/dbraw/zinc/83/23/34/666832334.db2.gz AZQVGXXKBVKLLY-AMXDTQDGSA-N 0 0 323.418 0.315 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000733960852 666832389 /nfs/dbraw/zinc/83/23/89/666832389.db2.gz AZQVGXXKBVKLLY-YTEVENLXSA-N 0 0 323.418 0.315 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000733962514 666832392 /nfs/dbraw/zinc/83/23/92/666832392.db2.gz NTXCRCJKNINFJG-HXUWFJFHSA-N 0 0 316.810 0.955 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)CCC1CCCC1 ZINC000733963609 666832696 /nfs/dbraw/zinc/83/26/96/666832696.db2.gz TYNYVZDXMPUULX-HXUWFJFHSA-N 0 0 302.440 0.958 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000733962771 666832813 /nfs/dbraw/zinc/83/28/13/666832813.db2.gz NLUVCFCHBDGYID-KPWVOAKYSA-N 0 0 324.402 0.685 10 0 DCAERN CCNC(=O)NC1(C(=O)NCC[S@@](=O)CC)CCCC1 ZINC000733964125 666832856 /nfs/dbraw/zinc/83/28/56/666832856.db2.gz XKSQFVUCQCUJPV-FQEVSTJZSA-N 0 0 303.428 0.503 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cnc2cc(C)ccn2c1=O ZINC000733969068 666833509 /nfs/dbraw/zinc/83/35/09/666833509.db2.gz UOUMTHAGGFGWMT-OAQYLSRUSA-N 0 0 307.375 0.501 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC000735108153 666947367 /nfs/dbraw/zinc/94/73/67/666947367.db2.gz NINQNLFKHVCZHO-ZSEKCTLFSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCNC(=O)c1cccs1 ZINC000735096448 666951659 /nfs/dbraw/zinc/95/16/59/666951659.db2.gz CHYJMKAVWHKAOM-HXUWFJFHSA-N 0 0 317.436 0.546 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1nncn1-c1ccccc1 ZINC000735096952 666951878 /nfs/dbraw/zinc/95/18/78/666951878.db2.gz FOGILIXVWHELQI-JOCHJYFZSA-N 0 0 321.406 0.835 10 0 DCAERN CCCNC(=O)CN(CCC)C(=O)NCC[S@](=O)CC ZINC000735113520 666955172 /nfs/dbraw/zinc/95/51/72/666955172.db2.gz ZHOJZSZLNZNJPT-HXUWFJFHSA-N 0 0 305.444 0.703 10 0 DCAERN CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(Cl)nc1C ZINC000702556985 666969005 /nfs/dbraw/zinc/96/90/05/666969005.db2.gz VEVRNTBXIBFFSQ-LLVKDONJSA-N 0 0 308.787 0.719 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccon2)C1 ZINC000702813685 666998800 /nfs/dbraw/zinc/99/88/00/666998800.db2.gz IMWMWJRPOUBLOE-KOLCDFICSA-N 0 0 311.338 0.632 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCO2)[C@H](O)C1 ZINC000702817684 666999463 /nfs/dbraw/zinc/99/94/63/666999463.db2.gz UCLHJVDZWRLWIQ-UTUOFQBUSA-N 0 0 314.382 0.509 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCNC(N)=O ZINC000735812000 667035961 /nfs/dbraw/zinc/03/59/61/667035961.db2.gz FNGMJXFGZLJKGQ-CQSZACIVSA-N 0 0 318.377 0.307 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cn1c2ccccc2n(C)c1=O ZINC000736287554 667137864 /nfs/dbraw/zinc/13/78/64/667137864.db2.gz JDHNGKBAZRHRTI-NEPJUHHUSA-N 0 0 323.418 0.805 10 0 DCAERN CCOC(=O)[C@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120336210 667299114 /nfs/dbraw/zinc/29/91/14/667299114.db2.gz QJLRSYDMWNZZJY-JTQLQIEISA-N 0 0 314.411 0.676 10 0 DCAERN COC(=O)[C@@H](C)CN(Cn1nc(CO)n(C)c1=S)C1CC1 ZINC000120446904 667315441 /nfs/dbraw/zinc/31/54/41/667315441.db2.gz XRBPOBIIPIOPHS-VIFPVBQESA-N 0 0 314.411 0.674 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCCC(F)(F)CC1 ZINC000705689723 667362855 /nfs/dbraw/zinc/36/28/55/667362855.db2.gz CSEXSVATLAQTOD-SNVBAGLBSA-N 0 0 310.366 0.411 10 0 DCAERN CC(C)[C@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCS1 ZINC000707348215 667437839 /nfs/dbraw/zinc/43/78/39/667437839.db2.gz QLPIRYQZZHRZDG-VXGBXAGGSA-N 0 0 320.480 0.363 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221559 667442351 /nfs/dbraw/zinc/44/23/51/667442351.db2.gz ODBUWRHDYPGGBE-UWVGGRQHSA-N 0 0 302.396 0.414 10 0 DCAERN Cc1cnc(CCN(C)Cn2nc3cnccn3c2=O)s1 ZINC000133968843 667498649 /nfs/dbraw/zinc/49/86/49/667498649.db2.gz WTGCYISVBCKXNM-UHFFFAOYSA-N 0 0 304.379 0.788 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(C)OCCO1 ZINC000717309221 667554459 /nfs/dbraw/zinc/55/44/59/667554459.db2.gz VJWWBSWGLRYLMZ-LLVKDONJSA-N 0 0 320.411 0.070 10 0 DCAERN CC(=O)CCN(C)C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000135168236 667575674 /nfs/dbraw/zinc/57/56/74/667575674.db2.gz ZWBRRQQSZZDNFW-UHFFFAOYSA-N 0 0 312.391 0.793 10 0 DCAERN CCN1C(=O)CN(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1=O ZINC000122287335 667599365 /nfs/dbraw/zinc/59/93/65/667599365.db2.gz PDWDVYGKAMTSKC-CYBMUJFWSA-N 0 0 321.381 0.134 10 0 DCAERN CCN1C(=O)C[C@@H](CNC(=O)C2(C)COC2)[C@@H]1c1nccn1C ZINC000886034037 667726055 /nfs/dbraw/zinc/72/60/55/667726055.db2.gz DVJDYJJRRRSQLR-WCQYABFASA-N 0 0 320.393 0.482 10 0 DCAERN CCN1CCO[C@@H](CNCc2cocn2)[C@@H]1c1ccnn1C ZINC000886081903 667729954 /nfs/dbraw/zinc/72/99/54/667729954.db2.gz DFUASYPYGVVKPL-GJZGRUSLSA-N 0 0 305.382 0.960 10 0 DCAERN O=C([C@@H](O)Cc1ccccc1)N1CC(c2cc(CO)on2)C1 ZINC000886084835 667730221 /nfs/dbraw/zinc/73/02/21/667730221.db2.gz KWAXJCFCFLRUCD-HNNXBMFYSA-N 0 0 302.330 0.696 10 0 DCAERN COc1nc(C)cc(N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886095224 667731304 /nfs/dbraw/zinc/73/13/04/667731304.db2.gz OGGFGLJFBAVFHS-OAHLLOKOSA-N 0 0 322.365 0.159 10 0 DCAERN Cn1ncc(C(=O)NCC[C@@H](O)C(F)F)c1Br ZINC000717365940 667733657 /nfs/dbraw/zinc/73/36/57/667733657.db2.gz PGOKNYMCUSIMLY-ZCFIWIBFSA-N 0 0 312.114 0.929 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)Cc1ccc(Br)cc1 ZINC000717381237 667735519 /nfs/dbraw/zinc/73/55/19/667735519.db2.gz XHUOHLJMJWMTQK-GZMMTYOYSA-N 0 0 302.168 0.850 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(CC[S@@](C)=O)CC2)n1 ZINC000741305628 667767199 /nfs/dbraw/zinc/76/71/99/667767199.db2.gz ZSQMPCPUOISCIZ-OAQYLSRUSA-N 0 0 312.439 0.023 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@@H](O)[C@@H](C)O ZINC000717414528 667789887 /nfs/dbraw/zinc/78/98/87/667789887.db2.gz VFYSTBGNDACOFN-GMSGAONNSA-N 0 0 318.167 0.929 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cn(Cc2cccs2)nn1 ZINC000742657977 667796149 /nfs/dbraw/zinc/79/61/49/667796149.db2.gz IJEZJOMNUNLSGU-FQEVSTJZSA-N 0 0 312.420 0.886 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCCCCCC1)c2=O ZINC000019299417 667862406 /nfs/dbraw/zinc/86/24/06/667862406.db2.gz CBXHVZAGIVLXLN-UHFFFAOYSA-N 0 0 303.366 0.923 10 0 DCAERN Cc1ccsc1CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000125153137 668219722 /nfs/dbraw/zinc/21/97/22/668219722.db2.gz ZUEHVJYYJVSMFY-JTQLQIEISA-N 0 0 302.421 0.449 10 0 DCAERN Cc1ccc(CN(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126472218 668600467 /nfs/dbraw/zinc/60/04/67/668600467.db2.gz HUHCFMFJVMPOLJ-CQSZACIVSA-N 0 0 310.419 0.730 10 0 DCAERN CCN(Cc1ccccc1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126479130 668601310 /nfs/dbraw/zinc/60/13/10/668601310.db2.gz FTYXQDNFCORANN-AWEZNQCLSA-N 0 0 310.419 0.812 10 0 DCAERN CN(C)c1ccccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126540581 668622256 /nfs/dbraw/zinc/62/22/56/668622256.db2.gz IECKOHZQWQSRJG-LLVKDONJSA-N 0 0 311.407 0.468 10 0 DCAERN CC1(C)CCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126859626 668671762 /nfs/dbraw/zinc/67/17/62/668671762.db2.gz NMDWVYRMTJAYEO-VXGBXAGGSA-N 0 0 302.440 0.848 10 0 DCAERN O=S1(=O)CCC[C@H]1CN1CCC(Nc2cccnn2)CC1 ZINC000929537272 668699939 /nfs/dbraw/zinc/69/99/39/668699939.db2.gz ODRGPEGSCNQPHY-ZDUSSCGKSA-N 0 0 310.423 0.930 10 0 DCAERN COCCN1C[C@@H](C(=O)OCCc2c(C)nn(C)c2C)CC1=O ZINC000127293805 668914641 /nfs/dbraw/zinc/91/46/41/668914641.db2.gz GOJSKQXAAODINO-ZDUSSCGKSA-N 0 0 323.393 0.618 10 0 DCAERN C[C@@H](c1ccc(F)nc1)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000930330547 668997278 /nfs/dbraw/zinc/99/72/78/668997278.db2.gz ZUMCUFFSEWOMBI-AAEUAGOBSA-N 0 0 310.373 0.400 10 0 DCAERN CC(=O)N(C)CC(=O)OC[C@H]1CCCN1c1ccc(C)nn1 ZINC000130053658 669582960 /nfs/dbraw/zinc/58/29/60/669582960.db2.gz JLKFNYKOQVOGCO-CYBMUJFWSA-N 0 0 306.366 0.775 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(CCS(C)(=O)=O)C(C)C)C1 ZINC000130948013 669647669 /nfs/dbraw/zinc/64/76/69/669647669.db2.gz LEAIJHCUGQWZDE-ZDUSSCGKSA-N 0 0 319.471 0.935 10 0 DCAERN CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000131121879 669657956 /nfs/dbraw/zinc/65/79/56/669657956.db2.gz DJJHLORFFBHKTM-NEPJUHHUSA-N 0 0 324.377 0.684 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1CCO ZINC000187257887 669708395 /nfs/dbraw/zinc/70/83/95/669708395.db2.gz JUDBPVANFFEVJF-ZDUSSCGKSA-N 0 0 315.377 0.406 10 0 DCAERN CCCn1c(C)nnc1COC(=O)c1cc(C(N)=O)cn1C ZINC000132875195 669753142 /nfs/dbraw/zinc/75/31/42/669753142.db2.gz KEBZQNKBTPTEPO-UHFFFAOYSA-N 0 0 305.338 0.791 10 0 DCAERN CCOC(=O)c1cnn(CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000133231661 669790796 /nfs/dbraw/zinc/79/07/96/669790796.db2.gz AOTBOGZQDYHLQC-CQSZACIVSA-N 0 0 319.365 0.615 10 0 DCAERN CC(=O)CCN(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000155532323 669833018 /nfs/dbraw/zinc/83/30/18/669833018.db2.gz UVECACPGQKKKSV-UHFFFAOYSA-N 0 0 307.306 0.762 10 0 DCAERN Cc1nc(C(=O)NCCS(=O)(=O)C(C)(C)C)c(=O)[nH]c1C ZINC000155891529 669835782 /nfs/dbraw/zinc/83/57/82/669835782.db2.gz XAELWBOGDADHNU-UHFFFAOYSA-N 0 0 315.395 0.330 10 0 DCAERN CC[C@@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCS1 ZINC000157478096 669922436 /nfs/dbraw/zinc/92/24/36/669922436.db2.gz YUKZBEJAWDTKQX-GHMZBOCLSA-N 0 0 306.453 0.117 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](O)c1ccc(F)cc1 ZINC000160140245 669947225 /nfs/dbraw/zinc/94/72/25/669947225.db2.gz SZQKHUVZQHIEIM-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN Cc1ccc(N2CCC[C@H](NC(=O)CNC(N)=O)C2=O)cc1 ZINC000075158663 669985110 /nfs/dbraw/zinc/98/51/10/669985110.db2.gz MFFIKQAHMAIODJ-LBPRGKRZSA-N 0 0 304.350 0.275 10 0 DCAERN COCCN1CCCN(Cn2cc([N+](=O)[O-])c(C)n2)CC1=O ZINC000189288777 670107382 /nfs/dbraw/zinc/10/73/82/670107382.db2.gz XEAAKNHRXRHFPS-UHFFFAOYSA-N 0 0 311.342 0.238 10 0 DCAERN COCCCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000078755928 670113113 /nfs/dbraw/zinc/11/31/13/670113113.db2.gz LYWDACIDTAESDR-JSGCOSHPSA-N 0 0 309.366 0.909 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CCc2ccc(F)cc2)CC1 ZINC000713934880 670171985 /nfs/dbraw/zinc/17/19/85/670171985.db2.gz NVWGJZURAIOXLY-UHFFFAOYSA-N 0 0 300.355 0.696 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CSc2ccc(F)cc2)CC1 ZINC000714037397 670174048 /nfs/dbraw/zinc/17/40/48/670174048.db2.gz YXVAVJGQAKDWJO-UHFFFAOYSA-N 0 0 318.395 0.855 10 0 DCAERN O=C(CC1CCCCCC1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714301740 670183464 /nfs/dbraw/zinc/18/34/64/670183464.db2.gz KIRLVWYQTDDTAY-UHFFFAOYSA-N 0 0 303.428 0.613 10 0 DCAERN Cn1cc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2)c(=O)n(C)c1=O ZINC000192709388 670185394 /nfs/dbraw/zinc/18/53/94/670185394.db2.gz LRRANNKIGFYMAL-LLVKDONJSA-N 0 0 320.736 0.592 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccoc2Br)C1 ZINC000714414648 670185982 /nfs/dbraw/zinc/18/59/82/670185982.db2.gz TXRGTULGHMZQGF-UHFFFAOYSA-N 0 0 304.096 0.402 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2coc(Br)c2)C1 ZINC000714488908 670190075 /nfs/dbraw/zinc/19/00/75/670190075.db2.gz AGLJIIXRTUREKZ-UHFFFAOYSA-N 0 0 304.096 0.402 10 0 DCAERN C[C@@H](NCCS(=O)(=O)N1CCOCC1)c1ccns1 ZINC000716013695 670230844 /nfs/dbraw/zinc/23/08/44/670230844.db2.gz HDMYHRQSKSWCIF-SNVBAGLBSA-N 0 0 305.425 0.456 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2c(F)ccc(F)c2F)CC1 ZINC000716366919 670263208 /nfs/dbraw/zinc/26/32/08/670263208.db2.gz XIMAGMYDQXZHDE-UHFFFAOYSA-N 0 0 308.281 0.655 10 0 DCAERN NC(=O)[C@H]1CCN1c1ncc(I)cn1 ZINC000757147347 670354001 /nfs/dbraw/zinc/35/40/01/670354001.db2.gz PXMSWKMOVVOAAT-ZCFIWIBFSA-N 0 0 304.091 0.145 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000077444075 670410885 /nfs/dbraw/zinc/41/08/85/670410885.db2.gz PTVRQKIFUGCWLE-LBPRGKRZSA-N 0 0 301.346 0.841 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCCn1cccn1 ZINC000114970898 670896830 /nfs/dbraw/zinc/89/68/30/670896830.db2.gz GFZPZXBZVWJPGO-ZDUSSCGKSA-N 0 0 304.350 0.925 10 0 DCAERN Cn1cc([C@H]2CCN(CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)cn1 ZINC000116257360 671030124 /nfs/dbraw/zinc/03/01/24/671030124.db2.gz JZABDWKBWCVVSD-MEDUHNTESA-N 0 0 317.393 0.887 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnccn2)cn1 ZINC000818601849 671034840 /nfs/dbraw/zinc/03/48/40/671034840.db2.gz AQATUSANSGIZIQ-QWHCGFSZSA-N 0 0 303.322 0.269 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817573 672235562 /nfs/dbraw/zinc/23/55/62/672235562.db2.gz FXLPPQMCNWKQMS-CABCVRRESA-N 0 0 317.389 0.000 10 0 DCAERN CCCC(=O)NCC(=O)NCCC1N=NC(=S)N1C(C)C ZINC000106449351 672337839 /nfs/dbraw/zinc/33/78/39/672337839.db2.gz ZROLPDCDDZSWMD-UHFFFAOYSA-N 0 0 313.427 0.723 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000399158723 685275514 /nfs/dbraw/zinc/27/55/14/685275514.db2.gz CFZOJJQHUPAGFL-GMTAPVOTSA-N 0 0 307.437 0.279 10 0 DCAERN CC(C)(C)S(=O)(=O)CCCN1CCC[C@@H](CO)[C@H]1CO ZINC000718786361 685305576 /nfs/dbraw/zinc/30/55/76/685305576.db2.gz OZWKZFNRSHAJJB-QWHCGFSZSA-N 0 0 307.456 0.655 10 0 DCAERN CN(CC1CC(O)C1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000519713486 685298267 /nfs/dbraw/zinc/29/82/67/685298267.db2.gz XKQSKXXUKOAYJL-PNKMZZHYSA-N 0 0 322.405 0.290 10 0 DCAERN O=C(NCCOC(F)(F)C(F)(F)F)[C@H]1CCC(=O)NC1 ZINC000720313345 685312190 /nfs/dbraw/zinc/31/21/90/685312190.db2.gz RDFQKFYJAHABCX-LURJTMIESA-N 0 0 304.215 0.801 10 0 DCAERN CC(C)(NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)[O-] ZINC000720479228 685313652 /nfs/dbraw/zinc/31/36/52/685313652.db2.gz BHLPLJJVXRMIHE-ZJUUUORDSA-N 0 0 301.412 0.729 10 0 DCAERN CCc1nc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cs1 ZINC000721214325 685317761 /nfs/dbraw/zinc/31/77/61/685317761.db2.gz ZMOYKYSYAQXWFP-LBPRGKRZSA-N 0 0 304.437 0.999 10 0 DCAERN COCc1ccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)o1 ZINC000721218102 685318228 /nfs/dbraw/zinc/31/82/28/685318228.db2.gz FHYDJMVIFDYKOF-ZDUSSCGKSA-N 0 0 303.380 0.719 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NC1CCCCCCC1 ZINC000725016708 685319758 /nfs/dbraw/zinc/31/97/58/685319758.db2.gz HGJULZBLWFKVAM-ZDUSSCGKSA-N 0 0 302.440 0.992 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000087020856 685089652 /nfs/dbraw/zinc/08/96/52/685089652.db2.gz SPVUHJIZDVBSLF-UHFFFAOYSA-N 0 0 312.289 0.319 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091414344 685104016 /nfs/dbraw/zinc/10/40/16/685104016.db2.gz PDFZISSOOFEXKL-UHFFFAOYSA-N 0 0 310.741 0.268 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCc2ccon2)cc1 ZINC000093249264 685110603 /nfs/dbraw/zinc/11/06/03/685110603.db2.gz KRTUUFBJVFJBDU-UHFFFAOYSA-N 0 0 310.331 0.869 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000245439683 685156974 /nfs/dbraw/zinc/15/69/74/685156974.db2.gz SZESKXQVGDLSSU-YRGRVCCFSA-N 0 0 320.393 0.404 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H]2CSCCS2)C[C@H]1C ZINC000246483586 685164642 /nfs/dbraw/zinc/16/46/42/685164642.db2.gz HVDKNJPUIPCYFC-GRYCIOLGSA-N 0 0 304.481 0.749 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247040027 685168750 /nfs/dbraw/zinc/16/87/50/685168750.db2.gz KRPJAFUINGZTOO-YRGRVCCFSA-N 0 0 316.357 0.928 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000248412778 685174916 /nfs/dbraw/zinc/17/49/16/685174916.db2.gz FQQNFXDWTWIYMH-RYUDHWBXSA-N 0 0 306.366 0.188 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000249375606 685179506 /nfs/dbraw/zinc/17/95/06/685179506.db2.gz TZNFFGBKLJMKIV-BREBYQMCSA-N 0 0 318.295 0.894 10 0 DCAERN CC[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000251841052 685185751 /nfs/dbraw/zinc/18/57/51/685185751.db2.gz QUIPYKQVCDNRIE-UPJWGTAASA-N 0 0 302.440 0.848 10 0 DCAERN CN=c1[nH]cc(C(=O)Nn2cc(Br)cn2)s1 ZINC000381341683 685239093 /nfs/dbraw/zinc/23/90/93/685239093.db2.gz XUGZOPMIORJKPY-UHFFFAOYSA-N 0 0 302.157 0.950 10 0 DCAERN COc1cccc(NC(=O)NCCCCS(N)(=O)=O)c1 ZINC000380528056 1158019381 /nfs/dbraw/zinc/01/93/81/1158019381.db2.gz DSBNWAOLTCIGJB-UHFFFAOYSA-N 0 0 301.368 0.885 10 0 DCAERN CNC(=O)NCCNC(=O)c1ccc(Br)cc1N ZINC000397420645 1158098946 /nfs/dbraw/zinc/09/89/46/1158098946.db2.gz MZGGFXXDTVEAMY-UHFFFAOYSA-N 0 0 315.171 0.690 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)Cn2nnc3ccccc32)CC1=O ZINC000174536623 1158180328 /nfs/dbraw/zinc/18/03/28/1158180328.db2.gz QQJLZFWESKNDGI-LLVKDONJSA-N 0 0 315.377 0.947 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(F)ccc2N)C1 ZINC000037811503 1171443908 /nfs/dbraw/zinc/44/39/08/1171443908.db2.gz XXUQSZFOCRFVSB-SNVBAGLBSA-N 0 0 315.370 0.562 10 0 DCAERN Nc1ncc(S(=O)(=O)N(CCO)Cc2ccccc2)cn1 ZINC000050661069 1171735156 /nfs/dbraw/zinc/73/51/56/1171735156.db2.gz VEZZCMXDNASTFW-UHFFFAOYSA-N 0 0 308.363 0.242 10 0 DCAERN CC(=O)N1CCCN(C(=O)CN(C)C(=O)c2ccsc2)CC1 ZINC000052999002 1171793317 /nfs/dbraw/zinc/79/33/17/1171793317.db2.gz RMSMGLNVADANIW-UHFFFAOYSA-N 0 0 323.418 0.901 10 0 DCAERN NC(=O)C1CCN(C(=O)c2cccc3c2NC(=O)CO3)CC1 ZINC000074731085 1173926159 /nfs/dbraw/zinc/92/61/59/1173926159.db2.gz GMBGVEMZFAPBET-UHFFFAOYSA-N 0 0 303.318 0.355 10 0 DCAERN Cc1noc(CCC(=O)NCCNC(=O)c2cccnc2)n1 ZINC000079022997 1174293861 /nfs/dbraw/zinc/29/38/61/1174293861.db2.gz TZXQZSOOUPKVOA-UHFFFAOYSA-N 0 0 303.322 0.252 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(=O)n(C)c1 ZINC000157225996 1180560150 /nfs/dbraw/zinc/56/01/50/1180560150.db2.gz HWACCCHGYWITQH-UHFFFAOYSA-N 0 0 300.380 0.281 10 0 DCAERN CCCCC(=O)NCCNC(=O)CNC(=O)c1ccccc1 ZINC000169837161 1183609897 /nfs/dbraw/zinc/60/98/97/1183609897.db2.gz PPJBVKGDACIYHU-UHFFFAOYSA-N 0 0 305.378 0.839 10 0 DCAERN COCCOCC(=O)N1CCC(NC(=O)c2cccnc2)CC1 ZINC000169852393 1183613244 /nfs/dbraw/zinc/61/32/44/1183613244.db2.gz RQNIPUJENGBPHJ-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)NC3CC3)c2)NC(=O)NC1=O ZINC000171163645 1183714064 /nfs/dbraw/zinc/71/40/64/1183714064.db2.gz AEYQGRKIXLRJJK-HNNXBMFYSA-N 0 0 302.334 0.703 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cn1nnc2ccccc21 ZINC000171955097 1183794150 /nfs/dbraw/zinc/79/41/50/1183794150.db2.gz WDRPEJYJEFRZGI-NSHDSACASA-N 0 0 324.406 0.713 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000175248961 1184067331 /nfs/dbraw/zinc/06/73/31/1184067331.db2.gz ZWVRSYUQMRMKTG-GFCCVEGCSA-N 0 0 318.370 0.257 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC000176669893 1184214979 /nfs/dbraw/zinc/21/49/79/1184214979.db2.gz DXOHHKLHTLWVEL-CMPLNLGQSA-N 0 0 304.412 0.042 10 0 DCAERN O=C(NNC(=O)C1CC(=O)C1)c1cc(-c2cccs2)n[nH]1 ZINC000183575377 1185194597 /nfs/dbraw/zinc/19/45/97/1185194597.db2.gz WDOZRGQKORGPHC-UHFFFAOYSA-N 0 0 304.331 0.878 10 0 DCAERN Cn1nccc1CCC(=O)NCCNC(=O)c1ccccc1O ZINC000184964588 1187219761 /nfs/dbraw/zinc/21/97/61/1187219761.db2.gz PRMYAZYTGBXLIA-UHFFFAOYSA-N 0 0 316.361 0.605 10 0 DCAERN Cn1cc(-c2cc(CN3CCCN(C(N)=O)CC3)on2)cn1 ZINC000184993440 1187223321 /nfs/dbraw/zinc/22/33/21/1187223321.db2.gz PYUUWUWDOLZGTG-UHFFFAOYSA-N 0 0 304.354 0.662 10 0 DCAERN CCn1ncnc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000193472068 1188040275 /nfs/dbraw/zinc/04/02/75/1188040275.db2.gz SBSCMCLHCFOZCQ-JTQLQIEISA-N 0 0 309.395 0.796 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCOC2)cs1 ZINC000401264120 1190047780 /nfs/dbraw/zinc/04/77/80/1190047780.db2.gz PWCMIPFLYFEMKI-VIFPVBQESA-N 0 0 318.420 0.942 10 0 DCAERN C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905401 1190385233 /nfs/dbraw/zinc/38/52/33/1190385233.db2.gz ONVFEMFUFHGCIO-RKDXNWHRSA-N 0 0 300.380 0.562 10 0 DCAERN COC(=O)NCCNC(=O)c1cnn(C)c1Br ZINC000308501617 1190386545 /nfs/dbraw/zinc/38/65/45/1190386545.db2.gz XFTLRXZJRGNXQN-UHFFFAOYSA-N 0 0 305.132 0.268 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000307952262 1190387282 /nfs/dbraw/zinc/38/72/82/1190387282.db2.gz DZFYNIPEQQWRIA-JTQLQIEISA-N 0 0 303.771 0.628 10 0 DCAERN COCCOCC(=O)NCc1nn(C)cc1Br ZINC000393348219 1190702210 /nfs/dbraw/zinc/70/22/10/1190702210.db2.gz MFXWJXMYKQXBFT-UHFFFAOYSA-N 0 0 306.160 0.462 10 0 DCAERN CC[C@H](O)CCCNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000398486301 1190703569 /nfs/dbraw/zinc/70/35/69/1190703569.db2.gz AASCSBZJZDXFDQ-JTQLQIEISA-N 0 0 313.441 0.034 10 0 DCAERN CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCn1ccnn1 ZINC000588427104 747275932 /nfs/dbraw/zinc/27/59/32/747275932.db2.gz LTKYTVVGKPISEN-QINSGFPZSA-N 0 0 313.361 0.962 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC3CC(O)C3)cc12 ZINC000190606583 762563629 /nfs/dbraw/zinc/56/36/29/762563629.db2.gz LENSYEAPKAGLLA-UHFFFAOYSA-N 0 0 324.406 0.668 10 0 DCAERN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccnc1F ZINC000401840972 774068277 /nfs/dbraw/zinc/06/82/77/774068277.db2.gz RIFKEJDJDYGCCR-VIFPVBQESA-N 0 0 303.359 0.660 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1ccc(Cl)nc1 ZINC000404198871 774126051 /nfs/dbraw/zinc/12/60/51/774126051.db2.gz HGBSDAFMMBSJIX-NSHDSACASA-N 0 0 306.771 0.555 10 0 DCAERN Cc1cc(C)c2c(c1)CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC000190766374 774558789 /nfs/dbraw/zinc/55/87/89/774558789.db2.gz JCZPCCXMKWIETH-ZDUSSCGKSA-N 0 0 301.346 0.786 10 0 DCAERN Nc1c(F)cccc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000707385438 939251950 /nfs/dbraw/zinc/25/19/50/939251950.db2.gz GIHSWVIFUHSSND-MRVPVSSYSA-N 0 0 301.343 0.301 10 0 DCAERN CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000380612682 948725806 /nfs/dbraw/zinc/72/58/06/948725806.db2.gz FOUMAILAXAESRX-MRVPVSSYSA-N 0 0 321.761 0.773 10 0 DCAERN COCCOC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000383758616 948748067 /nfs/dbraw/zinc/74/80/67/948748067.db2.gz KEMMLGGTLRFAIJ-SECBINFHSA-N 0 0 302.352 0.768 10 0 DCAERN O=C(c1cc(Cl)nc(Cl)c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388133162 948978611 /nfs/dbraw/zinc/97/86/11/948978611.db2.gz VHFXSBAZDXKYGF-KNVOCYPGSA-N 0 0 314.128 0.733 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCCC(=O)[O-] ZINC000702403302 950225792 /nfs/dbraw/zinc/22/57/92/950225792.db2.gz VCCOPUUJRQHNBB-CQSZACIVSA-N 0 0 307.394 0.817 10 0 DCAERN C[C@@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)[C@H]1C(=O)[O-] ZINC000690820614 968905800 /nfs/dbraw/zinc/90/58/00/968905800.db2.gz XLJDUCCKLBAYIA-IJLUTSLNSA-N 0 0 304.412 0.453 10 0 DCAERN C[C@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000686809605 976116823 /nfs/dbraw/zinc/11/68/23/976116823.db2.gz MLQXMTAHEPMCFK-ZDUSSCGKSA-N 0 0 319.405 0.959 10 0 DCAERN C[NH+](C)C1(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000694175219 976676524 /nfs/dbraw/zinc/67/65/24/976676524.db2.gz SHHLFMOUAMGKKC-UHFFFAOYSA-N 0 0 302.352 0.740 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000696718611 976822012 /nfs/dbraw/zinc/82/20/12/976822012.db2.gz HNIRJVBMKIKROW-XQHKEYJVSA-N 0 0 301.408 0.996 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)C[C@@H](C)N1CCCCC1=O ZINC000189324780 290605736 /nfs/dbraw/zinc/60/57/36/290605736.db2.gz SUCYLFBVWPXHMO-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN O=C(COc1cccc(F)c1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000322851446 231213989 /nfs/dbraw/zinc/21/39/89/231213989.db2.gz POGMOXQTSKWNMI-OAHLLOKOSA-N 0 0 321.308 0.405 10 0 DCAERN CC[C@H](O)CN1CCN(c2nc(CCOC)ns2)CC1 ZINC000176933200 529702213 /nfs/dbraw/zinc/70/22/13/529702213.db2.gz YGLCTVGYWIWPSG-NSHDSACASA-N 0 0 300.428 0.620 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCc1ccnn1C)CC2 ZINC000181480281 199303991 /nfs/dbraw/zinc/30/39/91/199303991.db2.gz CFVSRVXGTPQVDX-NSHDSACASA-N 0 0 317.397 0.949 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000181668726 199335697 /nfs/dbraw/zinc/33/56/97/199335697.db2.gz BQFRIPQLFWAXME-IPQJTDDFSA-N 0 0 323.418 0.484 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN(C2CC2)CC1 ZINC000102752608 185420153 /nfs/dbraw/zinc/42/01/53/185420153.db2.gz XTERALWXAITCHY-UHFFFAOYSA-N 0 0 302.440 0.898 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)C(C)C ZINC000179076944 529895833 /nfs/dbraw/zinc/89/58/33/529895833.db2.gz LEGWMKNIRCKQKG-ZDUSSCGKSA-N 0 0 316.361 0.993 10 0 DCAERN CNC(=O)[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)C(C)C ZINC000178405238 529919035 /nfs/dbraw/zinc/91/90/35/529919035.db2.gz OLIOMJTVLIKXRC-LLVKDONJSA-N 0 0 300.403 0.313 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCC2(CCO)CC2)cc1 ZINC000188007035 530028061 /nfs/dbraw/zinc/02/80/61/530028061.db2.gz JESLTJSQMSEBFM-UHFFFAOYSA-N 0 0 312.391 0.487 10 0 DCAERN CN1C(=O)c2ccc(C(=O)NCC3(CCO)CC3)cc2C1=O ZINC000188029072 530046488 /nfs/dbraw/zinc/04/64/88/530046488.db2.gz BYNKVXCDWIUVNX-UHFFFAOYSA-N 0 0 302.330 0.805 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000057571708 190687583 /nfs/dbraw/zinc/68/75/83/190687583.db2.gz AAQBNOYMUNYTDD-UHFFFAOYSA-N 0 0 308.382 0.593 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[S@@]1=O ZINC000408159454 282364296 /nfs/dbraw/zinc/36/42/96/282364296.db2.gz QSIFLPBFSSAMBU-NNUHMIRASA-N 0 0 316.423 0.169 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CCOCC[C@H]2C)C1=O ZINC000367723985 282381094 /nfs/dbraw/zinc/38/10/94/282381094.db2.gz NNIKGLJCEQIXIQ-LLVKDONJSA-N 0 0 311.382 0.734 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000351554609 295740132 /nfs/dbraw/zinc/74/01/32/295740132.db2.gz DORCXYUOPFMRKW-VOAKCMCISA-N 0 0 308.378 0.797 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@H](C)CN3CCCC3=O)c2n1 ZINC000068756881 190781300 /nfs/dbraw/zinc/78/13/00/190781300.db2.gz OVUJYMFGXQNQJO-LLVKDONJSA-N 0 0 301.350 0.778 10 0 DCAERN CN1C(=O)CCc2cc([C@@H]3NC(=O)[C@H]4COCCN43)ccc21 ZINC000186884729 282624347 /nfs/dbraw/zinc/62/43/47/282624347.db2.gz RIVKHFZOJUNLDY-UKRRQHHQSA-N 0 0 301.346 0.425 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@](C)(O)C2)[C@H]1c1cccnc1 ZINC000152480037 282638600 /nfs/dbraw/zinc/63/86/00/282638600.db2.gz AIFVZHNGKDJMSY-YSVLISHTSA-N 0 0 317.389 0.974 10 0 DCAERN NC(=O)NCCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000150749250 186063017 /nfs/dbraw/zinc/06/30/17/186063017.db2.gz VZXPEFFOQKSBCF-VIFPVBQESA-N 0 0 312.320 0.718 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000171295342 197913838 /nfs/dbraw/zinc/91/38/38/197913838.db2.gz RZFFIZWSEDKIEI-MRVPVSSYSA-N 0 0 309.351 0.348 10 0 DCAERN Cc1cc(C)cc(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000179732890 186211289 /nfs/dbraw/zinc/21/12/89/186211289.db2.gz OCQVJNNPYQFMPZ-DZGCQCFKSA-N 0 0 308.378 0.229 10 0 DCAERN COCCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000171896304 198003406 /nfs/dbraw/zinc/00/34/06/198003406.db2.gz GUDIODIPCOYASQ-AWEZNQCLSA-N 0 0 310.398 0.947 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)c1 ZINC000171907377 198005978 /nfs/dbraw/zinc/00/59/78/198005978.db2.gz ULUNYDMBDRVHBI-HUUCEWRRSA-N 0 0 321.425 0.869 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NC[C@H]3CN(C)CCO3)C2)cn1 ZINC000172121509 198042499 /nfs/dbraw/zinc/04/24/99/198042499.db2.gz VTFIZJGUIWLZTQ-JSGCOSHPSA-N 0 0 307.398 0.250 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)N[C@H]3CCCOC3)CC2)cn1 ZINC000172150674 198047516 /nfs/dbraw/zinc/04/75/16/198047516.db2.gz FZMQPCPJZQYXAG-HNNXBMFYSA-N 0 0 321.425 0.816 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)C(=O)NC1CC1)Cc1ccccc1 ZINC000172205349 198057807 /nfs/dbraw/zinc/05/78/07/198057807.db2.gz QBTOCKUZVRTMGY-CYBMUJFWSA-N 0 0 318.373 0.803 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 ZINC000172219643 198060091 /nfs/dbraw/zinc/06/00/91/198060091.db2.gz AMHAKHPDZNMQAW-CYBMUJFWSA-N 0 0 303.362 0.081 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2cccs2)C1 ZINC000172315274 198078500 /nfs/dbraw/zinc/07/85/00/198078500.db2.gz JBSZNEISIRGOCU-JTQLQIEISA-N 0 0 302.421 0.831 10 0 DCAERN COCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1C ZINC000172272662 198069401 /nfs/dbraw/zinc/06/94/01/198069401.db2.gz FFIRGMDSBIHMMC-GFCCVEGCSA-N 0 0 308.382 0.570 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCS1(=O)=O ZINC000172372082 198086998 /nfs/dbraw/zinc/08/69/98/198086998.db2.gz YFDBGBDKXQKGQR-JTQLQIEISA-N 0 0 305.359 0.889 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000172517462 198108589 /nfs/dbraw/zinc/10/85/89/198108589.db2.gz IXNMZOQEGOTLSQ-ZIAGYGMSSA-N 0 0 303.362 0.981 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)CNC(=O)c1ccccn1 ZINC000172521587 198109397 /nfs/dbraw/zinc/10/93/97/198109397.db2.gz XCJPDKUOINURSZ-UHFFFAOYSA-N 0 0 306.366 0.138 10 0 DCAERN COc1ccc(Br)cc1CC(=O)N[C@H](C)C(N)=O ZINC000172708280 198139753 /nfs/dbraw/zinc/13/97/53/198139753.db2.gz LKIUNUKPCBACMZ-SSDOTTSWSA-N 0 0 315.167 0.990 10 0 DCAERN O=C(NCC[S@](=O)Cc1ccccc1)[C@H]1CSC(=O)N1 ZINC000172799190 198150701 /nfs/dbraw/zinc/15/07/01/198150701.db2.gz FIASYTOKLZAACJ-GIPWTMENSA-N 0 0 312.416 0.877 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCC1(CO)CCC1 ZINC000331891817 234242212 /nfs/dbraw/zinc/24/22/12/234242212.db2.gz AKVDXIOLYPAGIO-GHMZBOCLSA-N 0 0 305.396 0.410 10 0 DCAERN C[C@H](C(=O)NCc1ccnn1C)n1nnc(-c2ccccc2)n1 ZINC000173384741 198208867 /nfs/dbraw/zinc/20/88/67/198208867.db2.gz YVKOUINLBAHSCM-LLVKDONJSA-N 0 0 311.349 0.951 10 0 DCAERN CCc1cc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)[nH]n1 ZINC000173577232 198229526 /nfs/dbraw/zinc/22/95/26/198229526.db2.gz RJHBVBXZPLYOFA-NSHDSACASA-N 0 0 304.354 0.866 10 0 DCAERN Cc1cc(CN2CCN(C(=O)NCc3noc(C)n3)CC2)no1 ZINC000173552275 198225806 /nfs/dbraw/zinc/22/58/06/198225806.db2.gz ZCPZFLHPUKCUTL-UHFFFAOYSA-N 0 0 320.353 0.702 10 0 DCAERN Cc1nc(CNC(=O)N[C@H](C)C(=O)NCc2ccccc2)no1 ZINC000173562535 198227281 /nfs/dbraw/zinc/22/72/81/198227281.db2.gz ZXIWJTOQJSXSRS-SNVBAGLBSA-N 0 0 317.349 0.882 10 0 DCAERN CCn1cc(C2CCN(C(=O)Cn3ncn(C)c3=O)CC2)cn1 ZINC000182064801 199380987 /nfs/dbraw/zinc/38/09/87/199380987.db2.gz GPHXBMXELIEYQI-UHFFFAOYSA-N 0 0 318.381 0.204 10 0 DCAERN C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1N1CCOCC1 ZINC000173854047 198261549 /nfs/dbraw/zinc/26/15/49/198261549.db2.gz YTUCRNLRUBGYTC-JSGCOSHPSA-N 0 0 305.378 0.178 10 0 DCAERN O=C(NCCCn1ccnc1)N1CCC[C@@H](n2cncn2)C1 ZINC000174017113 198281385 /nfs/dbraw/zinc/28/13/85/198281385.db2.gz AFXWVEOXRHGXNL-CYBMUJFWSA-N 0 0 303.370 0.911 10 0 DCAERN CC1CCC(O)(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000087076878 545708230 /nfs/dbraw/zinc/70/82/30/545708230.db2.gz UGTITDLOTQMXBR-QPPOZKHWSA-N 0 0 320.455 0.871 10 0 DCAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CCN(CCO)CC1 ZINC000182091657 199385579 /nfs/dbraw/zinc/38/55/79/199385579.db2.gz HZGSDDYUTNXBIW-UHFFFAOYSA-N 0 0 320.315 0.586 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174905901 198399353 /nfs/dbraw/zinc/39/93/53/198399353.db2.gz ZXDCFBIOJBMBBV-CYBMUJFWSA-N 0 0 316.361 0.553 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)C1=O ZINC000174945941 198405493 /nfs/dbraw/zinc/40/54/93/198405493.db2.gz MTFKKINVBLMENI-STQMWFEESA-N 0 0 320.397 0.634 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000075522614 191485382 /nfs/dbraw/zinc/48/53/82/191485382.db2.gz CLDKJRJCVSAWAD-RSAASHCRSA-N 0 0 301.346 0.978 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1Cc1nc(N)nc(N(C)C)n1 ZINC000177210816 198686774 /nfs/dbraw/zinc/68/67/74/198686774.db2.gz VPHDRZFJGAPUBH-GFCCVEGCSA-N 0 0 316.413 0.689 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CC1 ZINC000080320244 192024444 /nfs/dbraw/zinc/02/44/44/192024444.db2.gz HMAPAIBSUCBLGH-VIFPVBQESA-N 0 0 307.375 0.734 10 0 DCAERN COc1cc(N2CCN(CC(=O)OC(C)(C)C)CC2)ncn1 ZINC000184071748 199669481 /nfs/dbraw/zinc/66/94/81/199669481.db2.gz FCYHRTJPPXCHPI-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000081050053 192219690 /nfs/dbraw/zinc/21/96/90/192219690.db2.gz QSDPJWVRHQYEBD-LLVKDONJSA-N 0 0 311.304 0.611 10 0 DCAERN Cc1nccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000081486932 192273987 /nfs/dbraw/zinc/27/39/87/192273987.db2.gz UHAAXWMDUKRRET-NSHDSACASA-N 0 0 304.272 0.994 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCNC(=O)c1ccco1 ZINC000081579636 192296161 /nfs/dbraw/zinc/29/61/61/192296161.db2.gz RLSRVVBQFLXTCU-NSHDSACASA-N 0 0 317.349 0.951 10 0 DCAERN COC(=O)N[C@H](C(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000081579292 192295863 /nfs/dbraw/zinc/29/58/63/192295863.db2.gz QLVFLBIIELXKKK-QWRGUYRKSA-N 0 0 309.370 0.918 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1c1nccs1 ZINC000192474119 295929424 /nfs/dbraw/zinc/92/94/24/295929424.db2.gz KEKYQWXOYUYALM-QWHCGFSZSA-N 0 0 324.450 0.949 10 0 DCAERN CCC(O)(CC)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178663336 198906923 /nfs/dbraw/zinc/90/69/23/198906923.db2.gz ISRGUPCZNDXBIF-UHFFFAOYSA-N 0 0 300.380 0.615 10 0 DCAERN COC(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000178960972 198960871 /nfs/dbraw/zinc/96/08/71/198960871.db2.gz AVQKZYQNOCCXSM-MNOVXSKESA-N 0 0 307.354 0.850 10 0 DCAERN Cc1nc(C(=O)NCCN2CCS(=O)(=O)CC2)c(C)s1 ZINC000179230915 199001999 /nfs/dbraw/zinc/00/19/99/199001999.db2.gz RTYMHLNCJQFYEU-UHFFFAOYSA-N 0 0 317.436 0.220 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCC[C@@H]1CO ZINC000179236002 199003566 /nfs/dbraw/zinc/00/35/66/199003566.db2.gz VJSIZLZMJPYOKF-RISCZKNCSA-N 0 0 316.357 0.950 10 0 DCAERN CS[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000179479174 199043074 /nfs/dbraw/zinc/04/30/74/199043074.db2.gz RJFHHZPDAGCGFV-CABCVRRESA-N 0 0 324.446 0.900 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000179484409 199043410 /nfs/dbraw/zinc/04/34/10/199043410.db2.gz IXYJIISPHSCMFF-GFCCVEGCSA-N 0 0 318.381 0.204 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(O)cc2O)C[C@H]1N1CCOCC1 ZINC000179524239 199050988 /nfs/dbraw/zinc/05/09/88/199050988.db2.gz ZCRZKFUXOLEWLN-BXUZGUMPSA-N 0 0 306.362 0.891 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccccc1Cl ZINC000179745616 199075126 /nfs/dbraw/zinc/07/51/26/199075126.db2.gz PWYUMWZHYVPCSX-ZYHUDNBSSA-N 0 0 314.769 0.266 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)Nc2nc3ccccn3n2)C1 ZINC000184418433 283353271 /nfs/dbraw/zinc/35/32/71/283353271.db2.gz IYRZLMVLRCATMC-UWVGGRQHSA-N 0 0 302.338 0.895 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@@H]2O)C[C@H](C)O1 ZINC000124796484 236949404 /nfs/dbraw/zinc/94/94/04/236949404.db2.gz PMDQXZJTZJWWHU-CRWXNKLISA-N 0 0 320.455 0.871 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000124796877 236949954 /nfs/dbraw/zinc/94/99/54/236949954.db2.gz PMDQXZJTZJWWHU-MQYQWHSLSA-N 0 0 320.455 0.871 10 0 DCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000162360115 237105150 /nfs/dbraw/zinc/10/51/50/237105150.db2.gz AJYKENFIDJYQRR-ZWNOBZJWSA-N 0 0 318.377 0.690 10 0 DCAERN COc1ccc2c(c1)N(C[C@@H](O)CN1CCOCC1)CCO2 ZINC000174121714 237169057 /nfs/dbraw/zinc/16/90/57/237169057.db2.gz BXMWXCNERHHDCU-ZDUSSCGKSA-N 0 0 308.378 0.587 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1C[C@H]3CCCC[C@@H]3C1)c2=O ZINC000178269543 237222778 /nfs/dbraw/zinc/22/27/78/237222778.db2.gz BYAWBMGNMVWRBI-VXGBXAGGSA-N 0 0 315.377 0.779 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000180651147 237259250 /nfs/dbraw/zinc/25/92/50/237259250.db2.gz DRNCIHHQOVMJDC-NEPJUHHUSA-N 0 0 315.439 0.564 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)C1CCCC1 ZINC000178532291 237232215 /nfs/dbraw/zinc/23/22/15/237232215.db2.gz UKIGZAJBSOJARL-NSHDSACASA-N 0 0 306.428 0.637 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000178818478 237240114 /nfs/dbraw/zinc/24/01/14/237240114.db2.gz OIBHAGGGXTVTTC-VHSXEESVSA-N 0 0 317.329 0.884 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000187557052 200127956 /nfs/dbraw/zinc/12/79/56/200127956.db2.gz IYMGUEXIKZMQTI-CQSZACIVSA-N 0 0 324.425 0.762 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000186827574 237327603 /nfs/dbraw/zinc/32/76/03/237327603.db2.gz ATCIYERAPVTROJ-JTQLQIEISA-N 0 0 302.334 0.019 10 0 DCAERN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cc(C(N)=O)co1 ZINC000187712839 237357231 /nfs/dbraw/zinc/35/72/31/237357231.db2.gz FOYAGWZMPVGQMZ-RYUDHWBXSA-N 0 0 300.380 0.824 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)s1 ZINC000187936850 200179120 /nfs/dbraw/zinc/17/91/20/200179120.db2.gz KNTXNGFQUROVFS-GXSJLCMTSA-N 0 0 312.391 0.606 10 0 DCAERN Cc1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)ccc1C(N)=O ZINC000188887959 237383727 /nfs/dbraw/zinc/38/37/27/237383727.db2.gz ZARAGMRAMMJMHY-GFCCVEGCSA-N 0 0 320.393 0.624 10 0 DCAERN CCN1CCN(C(=O)c2cc(C(N)=O)cn2C)C(C)(C)C1=O ZINC000188155938 200201777 /nfs/dbraw/zinc/20/17/77/200201777.db2.gz WURPIMHCEMFVIH-UHFFFAOYSA-N 0 0 306.366 0.207 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000191685245 237454488 /nfs/dbraw/zinc/45/44/88/237454488.db2.gz XVMZLHZNHBWCIU-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000188546364 200264289 /nfs/dbraw/zinc/26/42/89/200264289.db2.gz AMKLGQFCOIJSFT-RISCZKNCSA-N 0 0 317.389 0.837 10 0 DCAERN CCCCCN(CCO)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000153678906 291208237 /nfs/dbraw/zinc/20/82/37/291208237.db2.gz ASNTVRPRHJGZOY-UHFFFAOYSA-N 0 0 321.381 0.141 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1ccccc1 ZINC000154215697 291211637 /nfs/dbraw/zinc/21/16/37/291211637.db2.gz UHWKZONIANXNHT-SNVBAGLBSA-N 0 0 314.345 0.881 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCCSCC2)cc1 ZINC000281156397 216117647 /nfs/dbraw/zinc/11/76/47/216117647.db2.gz HUDCZZUSUDHPMW-UHFFFAOYSA-N 0 0 300.405 0.913 10 0 DCAERN Cc1cccc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000156251349 291223683 /nfs/dbraw/zinc/22/36/83/291223683.db2.gz KJWFBGWHQVMEAW-UHFFFAOYSA-N 0 0 303.362 0.984 10 0 DCAERN COCCc1cc(NC(=O)CCNC(=O)c2ccco2)n(C)n1 ZINC000156826701 291226196 /nfs/dbraw/zinc/22/61/96/291226196.db2.gz FYCSNJCINFNNRZ-UHFFFAOYSA-N 0 0 320.349 0.961 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnn(C)c1 ZINC000157100352 291227277 /nfs/dbraw/zinc/22/72/77/291227277.db2.gz VFOQIQJPLPDCQW-NSHDSACASA-N 0 0 311.345 0.949 10 0 DCAERN CC[C@H](O)CCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000157857053 291229566 /nfs/dbraw/zinc/22/95/66/291229566.db2.gz PKTZXHQYOIMZIF-LBPRGKRZSA-N 0 0 315.391 0.841 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000158853445 291232752 /nfs/dbraw/zinc/23/27/52/291232752.db2.gz KUFCYKRYDUDLQD-ZDUSSCGKSA-N 0 0 315.391 0.697 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000159259273 291234470 /nfs/dbraw/zinc/23/44/70/291234470.db2.gz NMZLPCXRGPNTMU-LLVKDONJSA-N 0 0 324.468 0.378 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCNC(=O)C1(C)C ZINC000162871853 291245371 /nfs/dbraw/zinc/24/53/71/291245371.db2.gz QPXNVPSXUHGWCR-LLVKDONJSA-N 0 0 306.362 0.683 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccnn2C)co1 ZINC000163051515 291245782 /nfs/dbraw/zinc/24/57/82/291245782.db2.gz FNJUWCDEYPUSJW-UHFFFAOYSA-N 0 0 312.351 0.193 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)Nc1cnc(N(C)C)nc1 ZINC000164545904 291247610 /nfs/dbraw/zinc/24/76/10/291247610.db2.gz RSJOJGSRNGQGSD-UHFFFAOYSA-N 0 0 308.386 0.826 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)[C@@H]1COc3ccccc31)C2 ZINC000328614241 291259483 /nfs/dbraw/zinc/25/94/83/291259483.db2.gz ACRFBSPDMRDMGM-CYBMUJFWSA-N 0 0 311.341 0.841 10 0 DCAERN Cn1cc(C(=O)N2CCN(C3CC3)CC2)c([C@@H]2CCOC2)n1 ZINC000275501572 212375446 /nfs/dbraw/zinc/37/54/46/212375446.db2.gz KJLFOTIUJFJYEA-GFCCVEGCSA-N 0 0 304.394 0.844 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)C[C@@H](C)S1=O ZINC000566772858 291322080 /nfs/dbraw/zinc/32/20/80/291322080.db2.gz JLGHGHNSAULNRG-YIYPIFLZSA-N 0 0 305.440 0.384 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000275406237 212313873 /nfs/dbraw/zinc/31/38/73/212313873.db2.gz BCMVOURFGPMBIC-ZJUUUORDSA-N 0 0 304.350 0.407 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000446552140 240586353 /nfs/dbraw/zinc/58/63/53/240586353.db2.gz WAEDJEOIRXLTKB-LBPRGKRZSA-N 0 0 318.377 0.846 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)CC)C1 ZINC000451140186 240653729 /nfs/dbraw/zinc/65/37/29/240653729.db2.gz BOXVGYOFXIAPBA-QWHCGFSZSA-N 0 0 320.455 0.979 10 0 DCAERN COc1ccc2c(CC(=O)N3CCOC[C@H]3C(N)=O)coc2c1 ZINC000091785945 193108549 /nfs/dbraw/zinc/10/85/49/193108549.db2.gz QFZVKCRHQSQWSD-ZDUSSCGKSA-N 0 0 318.329 0.697 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1 ZINC000454851576 240812399 /nfs/dbraw/zinc/81/23/99/240812399.db2.gz VQQBXVRAVKGMNK-RWMBFGLXSA-N 0 0 312.414 0.999 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1C[C@H]1CC ZINC000454878085 240815490 /nfs/dbraw/zinc/81/54/90/240815490.db2.gz PFLSCNAYZZSBLU-KXNHARMFSA-N 0 0 313.398 0.788 10 0 DCAERN C[C@@H](Cc1ccccc1)C(=O)NCCNS(=O)(=O)N(C)C ZINC000457806969 241038737 /nfs/dbraw/zinc/03/87/37/241038737.db2.gz VYNBPPYFLFAQQM-LBPRGKRZSA-N 0 0 313.423 0.377 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(CC)C2)C1 ZINC000459036571 241053404 /nfs/dbraw/zinc/05/34/04/241053404.db2.gz DQXQETYBWOBGJR-RYUDHWBXSA-N 0 0 310.398 0.307 10 0 DCAERN NS(=O)(=O)CC1CCN(C(=O)NCCCC2CC2)CC1 ZINC000567599929 291363841 /nfs/dbraw/zinc/36/38/41/291363841.db2.gz ZBPSKDDJLOBFSE-UHFFFAOYSA-N 0 0 303.428 0.887 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282035980 216714082 /nfs/dbraw/zinc/71/40/82/216714082.db2.gz FRPZCRUSOJLVOD-LLVKDONJSA-N 0 0 303.362 0.990 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000408296519 284032878 /nfs/dbraw/zinc/03/28/78/284032878.db2.gz AUXDBZZZCSKDPU-NQBHXWOUSA-N 0 0 323.393 0.590 10 0 DCAERN CCc1ccc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)cc1 ZINC000092230606 193177201 /nfs/dbraw/zinc/17/72/01/193177201.db2.gz YEHCONCSBIJZEY-CYBMUJFWSA-N 0 0 316.361 0.985 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1nccn1Cc1ccccc1 ZINC000092229463 193177333 /nfs/dbraw/zinc/17/73/33/193177333.db2.gz IMVKSLQCUCULCU-CQSZACIVSA-N 0 0 300.362 0.618 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000092230734 193177620 /nfs/dbraw/zinc/17/76/20/193177620.db2.gz OCMINRWJUCYYBR-ZDUSSCGKSA-N 0 0 322.315 0.837 10 0 DCAERN CC1(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)COC1 ZINC000112723045 261108430 /nfs/dbraw/zinc/10/84/30/261108430.db2.gz XTBUMDLSULNIRX-MRVPVSSYSA-N 0 0 309.288 0.485 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCc1noc(C)n1 ZINC000093127456 193206293 /nfs/dbraw/zinc/20/62/93/193206293.db2.gz HJSMYQYTEPCKNL-UHFFFAOYSA-N 0 0 308.342 0.682 10 0 DCAERN O=C(N[C@H]1CCOc2ccccc21)N1CCS(=O)(=O)CC1 ZINC000171588759 284215233 /nfs/dbraw/zinc/21/52/33/284215233.db2.gz UNKDXLKELBMFOI-LBPRGKRZSA-N 0 0 310.375 0.950 10 0 DCAERN CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000350185139 284242087 /nfs/dbraw/zinc/24/20/87/284242087.db2.gz UUBFJWDCKLJLBX-VXGBXAGGSA-N 0 0 302.396 0.033 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)CC1=O ZINC000264780640 204150030 /nfs/dbraw/zinc/15/00/30/204150030.db2.gz PRLRDLUREDHVOC-RYUDHWBXSA-N 0 0 317.393 0.797 10 0 DCAERN COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011716859 181700780 /nfs/dbraw/zinc/70/07/80/181700780.db2.gz ATCFFOLFXAHBNW-WDEREUQCSA-N 0 0 313.375 0.766 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000282526982 217063783 /nfs/dbraw/zinc/06/37/83/217063783.db2.gz GXAPDWKZWYPOOM-UHFFFAOYSA-N 0 0 306.322 0.238 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000282657609 217156916 /nfs/dbraw/zinc/15/69/16/217156916.db2.gz VDHSEVFOTHEYCJ-HQJQHLMTSA-N 0 0 304.318 0.910 10 0 DCAERN COCCNC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(C)=O ZINC000014018860 181920528 /nfs/dbraw/zinc/92/05/28/181920528.db2.gz CBQXAEOXQGSFMI-LCYFTJDESA-N 0 0 322.361 0.943 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 ZINC000408409046 284379029 /nfs/dbraw/zinc/37/90/29/284379029.db2.gz ZXXMLRWDMGLWEF-GARJFASQSA-N 0 0 318.395 0.157 10 0 DCAERN COC(=O)C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)C(F)(F)F ZINC000017055940 182073606 /nfs/dbraw/zinc/07/36/06/182073606.db2.gz UCBSJWIDZJVZOH-XHNCKOQMSA-N 0 0 322.283 0.750 10 0 DCAERN C[C@@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408426720 296204209 /nfs/dbraw/zinc/20/42/09/296204209.db2.gz LFDYDWVKRDTNAA-MBJXGIAVSA-N 0 0 320.455 0.822 10 0 DCAERN Cn1c(NC[C@H](O)c2ccccc2)nc2[nH]c(=O)n(C)c(=O)c21 ZINC000020427930 182216276 /nfs/dbraw/zinc/21/62/76/182216276.db2.gz MJRHMYCFONZZFZ-JTQLQIEISA-N 0 0 315.333 0.106 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408166679 296218497 /nfs/dbraw/zinc/21/84/97/296218497.db2.gz SSMDFZPYKFRVHX-RCWTZXSCSA-N 0 0 304.412 0.181 10 0 DCAERN C[C@@](NCC(F)(F)F)(C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037972814 182945371 /nfs/dbraw/zinc/94/53/71/182945371.db2.gz GGRGHFHTGYPGRO-NSHDSACASA-N 0 0 324.324 0.943 10 0 DCAERN C[C@H](NC(=O)C(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000038717543 183007439 /nfs/dbraw/zinc/00/74/39/183007439.db2.gz VJFOONTVZVLHCN-ZDUSSCGKSA-N 0 0 317.389 0.993 10 0 DCAERN C[C@@H]1CCN(C[C@@H](O)COC[C@H]2CCCO2)CCS1(=O)=O ZINC000574018880 291668584 /nfs/dbraw/zinc/66/85/84/291668584.db2.gz YXIPRRGCJDIUTC-MGPQQGTHSA-N 0 0 321.439 0.052 10 0 DCAERN C[C@@H](NC(=O)C1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000040215001 183046233 /nfs/dbraw/zinc/04/62/33/183046233.db2.gz GCOTZIREKDYJJA-SNVBAGLBSA-N 0 0 312.391 0.938 10 0 DCAERN Cc1cc(N2CCC(C(=O)[O-])CC2)nc(N2CCOCC2)[nH+]1 ZINC000040351051 183055664 /nfs/dbraw/zinc/05/56/64/183055664.db2.gz MAWAAJIZLNZMBJ-UHFFFAOYSA-N 0 0 306.366 0.923 10 0 DCAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192627171 296263042 /nfs/dbraw/zinc/26/30/42/296263042.db2.gz JLTLJMFFKPBTPJ-SNVBAGLBSA-N 0 0 324.402 0.909 10 0 DCAERN NC(=S)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000041533915 183199569 /nfs/dbraw/zinc/19/95/69/183199569.db2.gz CMHMHOUZXWRMLM-UHFFFAOYSA-N 0 0 305.450 0.341 10 0 DCAERN COCCOCC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000042061948 183231326 /nfs/dbraw/zinc/23/13/26/183231326.db2.gz FYHVUSBHNZRKRN-UHFFFAOYSA-N 0 0 310.350 0.663 10 0 DCAERN CCN(C[C@@H](C)C(N)=S)S(=O)(=O)CCCC(=O)OC ZINC000042443855 183270971 /nfs/dbraw/zinc/27/09/71/183270971.db2.gz HTVTVFQKPVHVCA-SECBINFHSA-N 0 0 310.441 0.514 10 0 DCAERN COC(=O)CS(=O)(=O)Nc1ccc(N)cc1Br ZINC000042533751 183282098 /nfs/dbraw/zinc/28/20/98/183282098.db2.gz CFEKNOGQQVLXQT-UHFFFAOYSA-N 0 0 323.168 0.946 10 0 DCAERN CCOC(=O)CN(C1CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000042716325 183301228 /nfs/dbraw/zinc/30/12/28/183301228.db2.gz YZCNQFOCBADNAM-UHFFFAOYSA-N 0 0 302.352 0.840 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000104358086 194000730 /nfs/dbraw/zinc/00/07/30/194000730.db2.gz BJBLRZZOEDNALV-HNNXBMFYSA-N 0 0 315.373 0.946 10 0 DCAERN CC(=O)N1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000105512433 194107043 /nfs/dbraw/zinc/10/70/43/194107043.db2.gz DRHHMZUIEWTISX-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc(-c2ccoc2)no1 ZINC000105607591 194114376 /nfs/dbraw/zinc/11/43/76/194114376.db2.gz ARTAOWKKNXTHDW-SNVBAGLBSA-N 0 0 320.305 0.193 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)[C@H]3CCCOC3)CC2)n1 ZINC000105820146 194136525 /nfs/dbraw/zinc/13/65/25/194136525.db2.gz CRERSFBJVMPUFB-ZDUSSCGKSA-N 0 0 320.393 0.951 10 0 DCAERN O=C(c1cnn2cccnc12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000265958651 296293756 /nfs/dbraw/zinc/29/37/56/296293756.db2.gz KIJWFQDHRCXMOG-NSHDSACASA-N 0 0 300.240 0.869 10 0 DCAERN O=C(c1cnn2ncccc12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408397705 296294071 /nfs/dbraw/zinc/29/40/71/296294071.db2.gz WJMJINWEHPBWLI-LLVKDONJSA-N 0 0 300.240 0.869 10 0 DCAERN CN1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000106557014 194229598 /nfs/dbraw/zinc/22/95/98/194229598.db2.gz JVIKOVARIHRIBV-QWHCGFSZSA-N 0 0 316.361 0.100 10 0 DCAERN O=C(NCCOc1ccc(F)c(F)c1)N1CCNC(=O)CC1 ZINC000106566547 194230791 /nfs/dbraw/zinc/23/07/91/194230791.db2.gz LBJQNFZBGGRHDW-UHFFFAOYSA-N 0 0 313.304 0.875 10 0 DCAERN CN(CC(=O)NCCOc1ccc(F)cc1F)S(C)(=O)=O ZINC000106656149 194241519 /nfs/dbraw/zinc/24/15/19/194241519.db2.gz JABJVIDKHFRHPS-UHFFFAOYSA-N 0 0 322.333 0.351 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000106744599 194249122 /nfs/dbraw/zinc/24/91/22/194249122.db2.gz RLBGXXMRPPRCMY-TZMCWYRMSA-N 0 0 319.409 0.964 10 0 DCAERN CCC(C)(C)NC(=O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000109767786 194282441 /nfs/dbraw/zinc/28/24/41/194282441.db2.gz MHRXGBTVVWXKTE-LBPRGKRZSA-N 0 0 302.440 0.943 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cnsn3)CCO2)n1 ZINC000110901796 194367652 /nfs/dbraw/zinc/36/76/52/194367652.db2.gz MQOLIEYEEUXRAO-LLVKDONJSA-N 0 0 307.379 0.893 10 0 DCAERN CC[C@@H](C(=O)[O-])N1C(=O)NC2(CC[NH+](CC(C)C)CC2)C1=O ZINC000057843332 184056850 /nfs/dbraw/zinc/05/68/50/184056850.db2.gz HSVXECVFFDIHAE-NSHDSACASA-N 0 0 311.382 0.892 10 0 DCAERN CC(C)[C@H](C)NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000061380504 184170044 /nfs/dbraw/zinc/17/00/44/184170044.db2.gz FXVYZWIYWGENLO-VIFPVBQESA-N 0 0 319.365 0.798 10 0 DCAERN CC(=O)Nc1ccc(-n2cnc(C(=O)N3CCOCC3)c2)nc1 ZINC000065196849 184314088 /nfs/dbraw/zinc/31/40/88/184314088.db2.gz QAZXPMQAXHJLQG-UHFFFAOYSA-N 0 0 315.333 0.698 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NCC[C@@H](C)O)c1 ZINC000085990902 252588126 /nfs/dbraw/zinc/58/81/26/252588126.db2.gz GWOCMFBUKVXOIG-SNVBAGLBSA-N 0 0 301.364 0.664 10 0 DCAERN CN(CC(=O)N1CCOCC1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333183264 252691408 /nfs/dbraw/zinc/69/14/08/252691408.db2.gz QEMJLPDAUSQNKM-FRRDWIJNSA-N 0 0 316.423 0.295 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000333646291 252747570 /nfs/dbraw/zinc/74/75/70/252747570.db2.gz VCQDBMUDEHYFPH-WDEREUQCSA-N 0 0 306.370 0.556 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCNC1=O ZINC000333767860 252761024 /nfs/dbraw/zinc/76/10/24/252761024.db2.gz XDMVZQDVYNNLCY-QWRGUYRKSA-N 0 0 320.397 0.814 10 0 DCAERN C[C@@]12CN(C(=O)NCCN3C(=O)CNC3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333890827 252773203 /nfs/dbraw/zinc/77/32/03/252773203.db2.gz YSLSUVVLTCIAHU-JBBSTSQOSA-N 0 0 320.393 0.616 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C[C@H]1C ZINC000408293978 291858249 /nfs/dbraw/zinc/85/82/49/291858249.db2.gz JMVXQCFLWIPCQU-ZJUUUORDSA-N 0 0 303.380 0.221 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000340880219 253316755 /nfs/dbraw/zinc/31/67/55/253316755.db2.gz IWJFWDOVEKPGIX-CQSZACIVSA-N 0 0 309.410 0.905 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCC[C@@H](C)O)c1 ZINC000343765028 253699108 /nfs/dbraw/zinc/69/91/08/253699108.db2.gz XLRWIDGKVIXXRH-SNVBAGLBSA-N 0 0 307.350 0.495 10 0 DCAERN COCc1ccccc1CNC(=O)CN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346079335 254007080 /nfs/dbraw/zinc/00/70/80/254007080.db2.gz VEERHHYHYBQSRB-UONOGXRCSA-N 0 0 323.368 0.347 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000346565632 254068690 /nfs/dbraw/zinc/06/86/90/254068690.db2.gz GGPBKZUCZFHYOZ-INIZCTEOSA-N 0 0 318.352 0.824 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)nn1C ZINC000176491005 220451307 /nfs/dbraw/zinc/45/13/07/220451307.db2.gz OZSKSUXSEZYZQQ-INIZCTEOSA-N 0 0 324.425 0.357 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000346908492 254111933 /nfs/dbraw/zinc/11/19/33/254111933.db2.gz KWNPCBHPCICBHE-HONMWMINSA-N 0 0 322.409 0.306 10 0 DCAERN C[C@@H](SC[C@H](O)CO)C(=O)N1CCN(c2ccccc2)CC1 ZINC000177414845 220454114 /nfs/dbraw/zinc/45/41/14/220454114.db2.gz LRRBFFOSSOUKRI-UKRRQHHQSA-N 0 0 324.446 0.810 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(CCO)C1CC1 ZINC000347583062 254169624 /nfs/dbraw/zinc/16/96/24/254169624.db2.gz XHKMPJZSOAXLSD-UHFFFAOYSA-N 0 0 319.361 0.591 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000347593928 254170769 /nfs/dbraw/zinc/17/07/69/254170769.db2.gz ARSOXWRYNIRJQA-KBPBESRZSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H](C)C2)C1 ZINC000249298344 296395205 /nfs/dbraw/zinc/39/52/05/296395205.db2.gz KXJPDHDYGPBISA-NEPJUHHUSA-N 0 0 324.468 0.330 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 ZINC000172664022 296395346 /nfs/dbraw/zinc/39/53/46/296395346.db2.gz SJKAAJJFKZKPSL-MNOVXSKESA-N 0 0 310.441 0.082 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCC[C@@H](O)C(F)(F)F ZINC000349980496 254307200 /nfs/dbraw/zinc/30/72/00/254307200.db2.gz ZNNBLOVQSXQMGQ-SSDOTTSWSA-N 0 0 307.290 0.172 10 0 DCAERN C[C@H](CNC(=O)c1cccc(OC(F)F)c1)S(N)(=O)=O ZINC000350620392 254319640 /nfs/dbraw/zinc/31/96/40/254319640.db2.gz NHGSMPLMZJIDPW-SSDOTTSWSA-N 0 0 308.306 0.695 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(Br)c1)S(N)(=O)=O ZINC000350620905 254319872 /nfs/dbraw/zinc/31/98/72/254319872.db2.gz PFJHZZMXLSJJOB-ZETCQYMHSA-N 0 0 321.196 0.856 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350627696 254321138 /nfs/dbraw/zinc/32/11/38/254321138.db2.gz FIWNUDUQGHSOBO-MNOVXSKESA-N 0 0 300.380 0.556 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000288891637 220510640 /nfs/dbraw/zinc/51/06/40/220510640.db2.gz IOBGGWVTIMRHHI-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c(F)c1 ZINC000288935900 220551743 /nfs/dbraw/zinc/55/17/43/220551743.db2.gz NOLQMAPCRZXXKS-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2OCC[C@H](C(=O)NC)[C@@H]2C1 ZINC000249680907 257107381 /nfs/dbraw/zinc/10/73/81/257107381.db2.gz AYFDSNLDSHNARC-SRVKXCTJSA-N 0 0 304.412 0.199 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@H]2N1C ZINC000248015152 257111332 /nfs/dbraw/zinc/11/13/32/257111332.db2.gz GAYFTFYNVLPDMN-HRCADAONSA-N 0 0 315.417 0.896 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 ZINC000247949315 257112808 /nfs/dbraw/zinc/11/28/08/257112808.db2.gz LCTKXEDSBIEEDB-GFCCVEGCSA-N 0 0 315.333 0.692 10 0 DCAERN O=C([C@@H]1COC[C@@H]2CN(c3ncccn3)C[C@@H]21)N1CCCCO1 ZINC000247801686 257117408 /nfs/dbraw/zinc/11/74/08/257117408.db2.gz WFZGKEHNQNKXFD-MELADBBJSA-N 0 0 318.377 0.729 10 0 DCAERN Fc1cnc(N2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)nc1 ZINC000503717794 257209273 /nfs/dbraw/zinc/20/92/73/257209273.db2.gz OTEJNBSEJNEYLA-RAIGVLPGSA-N 0 0 304.329 0.891 10 0 DCAERN CS(=O)(=O)CCN1CCN(c2ncccc2Cl)CC1 ZINC000301368888 533358008 /nfs/dbraw/zinc/35/80/08/533358008.db2.gz OZRGPDWSPBULBZ-UHFFFAOYSA-N 0 0 303.815 0.902 10 0 DCAERN CO[C@]1(C(=O)NCCCNC(=O)OC(C)(C)C)CCOC1 ZINC000401629599 533358710 /nfs/dbraw/zinc/35/87/10/533358710.db2.gz CKWYBSHZJGJVLJ-CQSZACIVSA-N 0 0 302.371 0.823 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000174935928 533416243 /nfs/dbraw/zinc/41/62/43/533416243.db2.gz SZAKQVAPISGDFL-NSHDSACASA-N 0 0 304.412 0.222 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1OC ZINC000408356785 533466467 /nfs/dbraw/zinc/46/64/67/533466467.db2.gz GLPOVNCDTIJJBH-MRVWCRGKSA-N 0 0 310.394 0.650 10 0 DCAERN CCN1CN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1=O ZINC000408334270 285432481 /nfs/dbraw/zinc/43/24/81/285432481.db2.gz MXLHVZCSYSMYGO-GHMZBOCLSA-N 0 0 318.395 0.170 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000408266735 291981340 /nfs/dbraw/zinc/98/13/40/291981340.db2.gz RZHFRSKUGFBUJE-QMMMGPOBSA-N 0 0 318.420 0.547 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC000275391486 130312673 /nfs/dbraw/zinc/31/26/73/130312673.db2.gz ADUKTRSBJTXNJP-SSDOTTSWSA-N 0 0 323.827 0.950 10 0 DCAERN O=C(NCc1nccn1CCc1ccccc1)[C@@H]1COC(=O)N1 ZINC000283533380 131001283 /nfs/dbraw/zinc/00/12/83/131001283.db2.gz TXNWQALARZFTFN-ZDUSSCGKSA-N 0 0 314.345 0.850 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC(=O)N1C ZINC000283577587 131005111 /nfs/dbraw/zinc/00/51/11/131005111.db2.gz QWMUSUUARZCOEA-CHWSQXEVSA-N 0 0 319.409 0.495 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284411823 131078417 /nfs/dbraw/zinc/07/84/17/131078417.db2.gz DAUFAGVBSZMHIF-NXEZZACHSA-N 0 0 300.355 0.876 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCOCc2ccccc2)C1 ZINC000284509118 131087313 /nfs/dbraw/zinc/08/73/13/131087313.db2.gz FBQLAJAUWDJJKN-KBPBESRZSA-N 0 0 306.362 0.695 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284685235 131104100 /nfs/dbraw/zinc/10/41/00/131104100.db2.gz ISRYMVRVYZAYMB-PSASIEDQSA-N 0 0 300.355 0.876 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)Cc2ccc(F)cc2)[C@@H]1C(N)=O ZINC000284748784 131109025 /nfs/dbraw/zinc/10/90/25/131109025.db2.gz NUILZLOZRHECLM-SKDRFNHKSA-N 0 0 316.354 0.230 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000284826926 131114110 /nfs/dbraw/zinc/11/41/10/131114110.db2.gz CHJIDSNSVIPFGS-LBPRGKRZSA-N 0 0 318.160 0.841 10 0 DCAERN CC(C)(C)c1nc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cs1 ZINC000284839169 131115424 /nfs/dbraw/zinc/11/54/24/131115424.db2.gz CZGPCQPIDHIQAA-AWEZNQCLSA-N 0 0 311.407 0.893 10 0 DCAERN O=C(c1ccn(-c2ccccc2)n1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284925714 131123282 /nfs/dbraw/zinc/12/32/82/131123282.db2.gz VVHAWFUIRCYSFY-MRXNPFEDSA-N 0 0 324.344 0.724 10 0 DCAERN Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)cnn1C(C)(C)C ZINC000284942988 131124473 /nfs/dbraw/zinc/12/44/73/131124473.db2.gz CQUAFFAXVZVWPP-PWSUYJOCSA-N 0 0 308.382 0.661 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(c2cnccn2)CC(C)(C)O1 ZINC000285018886 131131763 /nfs/dbraw/zinc/13/17/63/131131763.db2.gz MSFFGKCHMDRUJE-GFCCVEGCSA-N 0 0 308.382 0.565 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000285405351 131165235 /nfs/dbraw/zinc/16/52/35/131165235.db2.gz MJZDCYNHNQNBRQ-UONOGXRCSA-N 0 0 308.382 0.906 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1 ZINC000285532312 131178092 /nfs/dbraw/zinc/17/80/92/131178092.db2.gz NSJHOXYEWBBBEI-KRWDZBQOSA-N 0 0 318.373 0.723 10 0 DCAERN COc1ccc(C(C)(C)C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000285585779 131183770 /nfs/dbraw/zinc/18/37/70/131183770.db2.gz QRRNOVXROFHASQ-QGZVFWFLSA-N 0 0 320.389 0.812 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)sn1 ZINC000289327735 131374059 /nfs/dbraw/zinc/37/40/59/131374059.db2.gz XWAPZWBANCCVDN-CYBMUJFWSA-N 0 0 311.363 0.408 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172692475 285514977 /nfs/dbraw/zinc/51/49/77/285514977.db2.gz VDJISPPGLYKAMW-CYBMUJFWSA-N 0 0 318.377 0.329 10 0 DCAERN CC[C@@H]1Oc2ccc(N)cc2N(CC(=O)N2CCOCC2)C1=O ZINC000019954309 134640994 /nfs/dbraw/zinc/64/09/94/134640994.db2.gz DQZIYPHKQQYNID-ZDUSSCGKSA-N 0 0 319.361 0.632 10 0 DCAERN COCCCn1c(=O)[nH]nc1SCC(=O)NC(C)(C)C ZINC000008247404 395684352 /nfs/dbraw/zinc/68/43/52/395684352.db2.gz COXXMTDIGUFDBC-UHFFFAOYSA-N 0 0 302.400 0.615 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCCN(S(C)(=O)=O)CC1 ZINC000024924294 395693076 /nfs/dbraw/zinc/69/30/76/395693076.db2.gz LMEAOGDNDXCTDQ-UHFFFAOYSA-N 0 0 305.444 0.259 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNC(=O)C(C)C ZINC000087033290 395705358 /nfs/dbraw/zinc/70/53/58/395705358.db2.gz JDPASSRWTFJHFZ-LLVKDONJSA-N 0 0 322.413 0.747 10 0 DCAERN COc1ccc2c(c1)C=C(C(=O)N1CCNC(=O)CC1)CO2 ZINC000087294218 395706100 /nfs/dbraw/zinc/70/61/00/395706100.db2.gz WXOSJFFVIDQIPW-UHFFFAOYSA-N 0 0 302.330 0.820 10 0 DCAERN NC(=O)NC(=O)COc1ccccc1I ZINC000031656416 395707603 /nfs/dbraw/zinc/70/76/03/395707603.db2.gz RXZZPMONXIAOAN-UHFFFAOYSA-N 0 0 320.086 0.865 10 0 DCAERN O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccn1 ZINC000032035058 395709061 /nfs/dbraw/zinc/70/90/61/395709061.db2.gz ZFUUZWFBMHJTKD-UHFFFAOYSA-N 0 0 301.350 0.483 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@@H]1O ZINC000089429298 395711574 /nfs/dbraw/zinc/71/15/74/395711574.db2.gz HGJBLFHGZLBWFZ-FZMZJTMJSA-N 0 0 301.346 0.626 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@@H](C)O1 ZINC000032633762 395711900 /nfs/dbraw/zinc/71/19/00/395711900.db2.gz LFLPJUDFWGILQN-GHMZBOCLSA-N 0 0 317.345 0.326 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)cn1 ZINC000089754874 395714983 /nfs/dbraw/zinc/71/49/83/395714983.db2.gz YKZRGJZOEMDXQJ-MRVPVSSYSA-N 0 0 312.123 0.379 10 0 DCAERN Cc1ccccc1-n1cnc(C(=O)N(C)CC(=O)N(C)C)n1 ZINC000034910893 395718641 /nfs/dbraw/zinc/71/86/41/395718641.db2.gz OGWZBINCCNUSCX-UHFFFAOYSA-N 0 0 301.350 0.736 10 0 DCAERN CCc1nnc(CSCc2nc(N)nc(N(C)C)n2)n1C ZINC000091027560 395720456 /nfs/dbraw/zinc/72/04/56/395720456.db2.gz JYMBFMLAXJRAOY-UHFFFAOYSA-N 0 0 308.415 0.644 10 0 DCAERN O=C1NC(=O)[C@@]2(CCN(S(=O)(=O)CC3CCCCC3)C2)N1 ZINC000084796545 395699571 /nfs/dbraw/zinc/69/95/71/395699571.db2.gz JCVHPKJYUYETAP-ZDUSSCGKSA-N 0 0 315.395 0.180 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000037495410 395727719 /nfs/dbraw/zinc/72/77/19/395727719.db2.gz BKGITLKROHOYSN-UHFFFAOYSA-N 0 0 314.411 0.515 10 0 DCAERN COCC(=O)N1CCN(c2ccc(OC)cc2OC)C(=O)[C@@H]1C ZINC000037520036 395727981 /nfs/dbraw/zinc/72/79/81/395727981.db2.gz NIOFDPUOSSGTMW-NSHDSACASA-N 0 0 322.361 0.914 10 0 DCAERN CCN(CCC(=O)OC)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000038024960 395731015 /nfs/dbraw/zinc/73/10/15/395731015.db2.gz YUZYTXAFBOYMGD-PHIMTYICSA-N 0 0 308.400 0.225 10 0 DCAERN O=C1N[C@@H](c2ccc(O)c(Br)c2)N2CCOC[C@H]12 ZINC000093884250 395739590 /nfs/dbraw/zinc/73/95/90/395739590.db2.gz XLQKWDQVVWJEHX-MWLCHTKSSA-N 0 0 313.151 0.984 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1 ZINC000041880125 395739879 /nfs/dbraw/zinc/73/98/79/395739879.db2.gz SCCDKIGJOMDZHD-UHFFFAOYSA-N 0 0 300.318 0.878 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC1CCC1 ZINC000093019569 395735744 /nfs/dbraw/zinc/73/57/44/395735744.db2.gz MUGVDBKFZFEXED-NSHDSACASA-N 0 0 314.411 0.979 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000042631741 395746870 /nfs/dbraw/zinc/74/68/70/395746870.db2.gz JXEKEPSOKBBSTI-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN Cc1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cnn1C ZINC000041979896 395740948 /nfs/dbraw/zinc/74/09/48/395740948.db2.gz HXHMTYVXCYTQIY-UHFFFAOYSA-N 0 0 320.393 0.440 10 0 DCAERN CCCN(CCO)C(=O)[C@@H]1CCCN1S(=O)(=O)CCC ZINC000042358642 395744178 /nfs/dbraw/zinc/74/41/78/395744178.db2.gz GTVUVOWVJPDREK-LBPRGKRZSA-N 0 0 306.428 0.422 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)n1cccn1 ZINC000044689989 395758000 /nfs/dbraw/zinc/75/80/00/395758000.db2.gz VEIUKRXZKKMBIB-KGLIPLIRSA-N 0 0 320.393 0.542 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC(=O)[C@H](C)C2)cc1 ZINC000193916866 395782239 /nfs/dbraw/zinc/78/22/39/395782239.db2.gz XIEYNIVSDBONFI-LLVKDONJSA-N 0 0 304.346 0.863 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000106395968 395782912 /nfs/dbraw/zinc/78/29/12/395782912.db2.gz VIQMIGFYIYKLNC-LBPRGKRZSA-N 0 0 306.410 0.817 10 0 DCAERN C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)N(C)c1ccccc1 ZINC000046951771 395783717 /nfs/dbraw/zinc/78/37/17/395783717.db2.gz RGYFBWKUELNSLR-PWSUYJOCSA-N 0 0 304.350 0.226 10 0 DCAERN COCCc1noc(CO[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000097942629 395761327 /nfs/dbraw/zinc/76/13/27/395761327.db2.gz LRJIZFATXOKNJF-JTQLQIEISA-N 0 0 319.383 0.199 10 0 DCAERN CN1CC[C@H](C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000045897678 395768017 /nfs/dbraw/zinc/76/80/17/395768017.db2.gz NMUBRORDJVRYQQ-LBPRGKRZSA-N 0 0 313.361 0.752 10 0 DCAERN CCOCCOCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000102473302 395770306 /nfs/dbraw/zinc/77/03/06/395770306.db2.gz MFWFAJFOWDKDON-OLZOCXBDSA-N 0 0 300.399 0.945 10 0 DCAERN O=C1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)CCN1 ZINC000102655726 395770945 /nfs/dbraw/zinc/77/09/45/395770945.db2.gz RSBYUOVAZBFMMW-UHFFFAOYSA-N 0 0 316.317 0.787 10 0 DCAERN CN(CC(=O)N1CCNC1=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251066 395804432 /nfs/dbraw/zinc/80/44/32/395804432.db2.gz XVWZIVJRJNIDLO-CYBMUJFWSA-N 0 0 316.361 0.276 10 0 DCAERN Cc1ccn(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)c(=O)c1 ZINC000194831808 395809431 /nfs/dbraw/zinc/80/94/31/395809431.db2.gz JMXYAWXGGVONQZ-UHFFFAOYSA-N 0 0 312.391 0.192 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000194882552 395811334 /nfs/dbraw/zinc/81/13/34/395811334.db2.gz JPOMXWHMKMFNIY-UONOGXRCSA-N 0 0 318.373 0.661 10 0 DCAERN COC[C@@H](C)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000048252689 395811707 /nfs/dbraw/zinc/81/17/07/395811707.db2.gz DUEHHLUCHNCZQC-SNVBAGLBSA-N 0 0 307.416 0.087 10 0 DCAERN O=C([O-])CN1CCN(c2ncnc3ccsc32)C[C@H](O)C1 ZINC000225331398 395858698 /nfs/dbraw/zinc/85/86/98/395858698.db2.gz IEHLVHNRIPLOPI-SECBINFHSA-N 0 0 308.363 0.259 10 0 DCAERN CC1(CNC(=O)Nc2cc(-n3cnnn3)ccc2F)COC1 ZINC000112737762 395823424 /nfs/dbraw/zinc/82/34/24/395823424.db2.gz PTRYVKMTGBIATF-UHFFFAOYSA-N 0 0 306.301 0.959 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1COc2ccccc2C1 ZINC000112744406 395823976 /nfs/dbraw/zinc/82/39/76/395823976.db2.gz VSFSDLYIYIFYAM-OLZOCXBDSA-N 0 0 313.361 0.896 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H]2C(=O)NCC[C@@H]2C)ccc1F ZINC000195479625 395828456 /nfs/dbraw/zinc/82/84/56/395828456.db2.gz RUKOYNTZRJCIGC-UFBFGSQYSA-N 0 0 316.354 0.637 10 0 DCAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000113299152 395829040 /nfs/dbraw/zinc/82/90/40/395829040.db2.gz QQHHCRDETNTJDJ-VIFPVBQESA-N 0 0 314.317 0.850 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000049170083 395829208 /nfs/dbraw/zinc/82/92/08/395829208.db2.gz JZCUWVVNMYCPPM-GJZGRUSLSA-N 0 0 321.421 0.762 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCN1C(=O)CCC1=O ZINC000113968091 395832238 /nfs/dbraw/zinc/83/22/38/395832238.db2.gz SEEGABSUIRCUOF-UHFFFAOYSA-N 0 0 321.381 0.028 10 0 DCAERN Cc1c(CNC(=O)CN2CC(=O)NC2=O)oc2ccccc12 ZINC000115714665 395841005 /nfs/dbraw/zinc/84/10/05/395841005.db2.gz LZPZYWVDERSBNI-UHFFFAOYSA-N 0 0 301.302 0.909 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116319810 395842747 /nfs/dbraw/zinc/84/27/47/395842747.db2.gz MBINGLAVLZXDDG-CYBMUJFWSA-N 0 0 321.425 0.194 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116370388 395844074 /nfs/dbraw/zinc/84/40/74/395844074.db2.gz FLNFVQAJXPIGKH-LBPRGKRZSA-N 0 0 323.422 0.949 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000271178633 395844175 /nfs/dbraw/zinc/84/41/75/395844175.db2.gz LSINZULGSLDIER-ZETCQYMHSA-N 0 0 310.301 0.623 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000116830624 395846248 /nfs/dbraw/zinc/84/62/48/395846248.db2.gz NSEHRMXMQWSBJN-LLVKDONJSA-N 0 0 316.354 0.355 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000116830572 395846471 /nfs/dbraw/zinc/84/64/71/395846471.db2.gz YINXNHLNEZTCIH-LLVKDONJSA-N 0 0 300.355 0.518 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000116834529 395847683 /nfs/dbraw/zinc/84/76/83/395847683.db2.gz LMWJKAROUSQHHR-VIFPVBQESA-N 0 0 304.318 0.729 10 0 DCAERN COc1c(C)cnc(CN2CC[C@H](NS(C)(=O)=O)C2)c1C ZINC000116890832 395848831 /nfs/dbraw/zinc/84/88/31/395848831.db2.gz KDYIMRVASKVBTP-LBPRGKRZSA-N 0 0 313.423 0.831 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000116890311 395849042 /nfs/dbraw/zinc/84/90/42/395849042.db2.gz RNKGKSKWBPSSOL-MFKMUULPSA-N 0 0 320.361 0.622 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccn1 ZINC000116938055 395849606 /nfs/dbraw/zinc/84/96/06/395849606.db2.gz LBPBPJSFPZKMEJ-WDEREUQCSA-N 0 0 312.395 0.476 10 0 DCAERN CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000116986594 395850634 /nfs/dbraw/zinc/85/06/34/395850634.db2.gz WJNPJVWFVFNADE-OCCSQVGLSA-N 0 0 306.362 0.760 10 0 DCAERN CCCOCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000222241327 395851799 /nfs/dbraw/zinc/85/17/99/395851799.db2.gz QFTBOLZTSMFMGD-SNVBAGLBSA-N 0 0 300.380 0.938 10 0 DCAERN CCCCOCCCNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000194170811 395790263 /nfs/dbraw/zinc/79/02/63/395790263.db2.gz VDUNPRQMPMXOFM-UHFFFAOYSA-N 0 0 311.386 0.957 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)no2)c1 ZINC000194291296 395792940 /nfs/dbraw/zinc/79/29/40/395792940.db2.gz GRULPTPZXPRSBN-GXFFZTMASA-N 0 0 317.349 0.482 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000194360085 395794831 /nfs/dbraw/zinc/79/48/31/395794831.db2.gz LFZZZTFQQWRPLH-UHFFFAOYSA-N 0 0 320.324 0.286 10 0 DCAERN CN1CCO[C@H](CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1 ZINC000108945644 395795076 /nfs/dbraw/zinc/79/50/76/395795076.db2.gz UOWMBBPRYDWZMU-SNVBAGLBSA-N 0 0 320.397 0.617 10 0 DCAERN Cc1csc(CN2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000109013368 395796292 /nfs/dbraw/zinc/79/62/92/395796292.db2.gz DLMZOIUUGZZWSW-UHFFFAOYSA-N 0 0 324.450 0.428 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000109266540 395797447 /nfs/dbraw/zinc/79/74/47/395797447.db2.gz CJVKEUQSRSVJMG-CYBMUJFWSA-N 0 0 303.362 0.604 10 0 DCAERN COc1ccc(-c2noc(Cn3ccc(=O)n(C)c3=O)n2)cn1 ZINC000109590472 395797829 /nfs/dbraw/zinc/79/78/29/395797829.db2.gz IITGZEPJXZJMBO-UHFFFAOYSA-N 0 0 315.289 0.049 10 0 DCAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000194570450 395799883 /nfs/dbraw/zinc/79/98/83/395799883.db2.gz ALADQHRTQCBARX-IUCAKERBSA-N 0 0 323.315 0.427 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCOC2)n(C)c1 ZINC000272387996 395888003 /nfs/dbraw/zinc/88/80/03/395888003.db2.gz WJNVVQCZMNOHTC-SNVBAGLBSA-N 0 0 315.395 0.136 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@H]1C ZINC000245428774 395929003 /nfs/dbraw/zinc/92/90/03/395929003.db2.gz JKNAJTAPNOIGGP-CHWSQXEVSA-N 0 0 320.455 0.236 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NC(C)(C)C(C)(C)O ZINC000234610051 395889453 /nfs/dbraw/zinc/88/94/53/395889453.db2.gz RFQKBRKEIJTDBR-VHSXEESVSA-N 0 0 307.412 0.797 10 0 DCAERN CC1CCN(CCNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CC1 ZINC000123816248 395897301 /nfs/dbraw/zinc/89/73/01/395897301.db2.gz FYIGNNQYEVXWQY-CYBMUJFWSA-N 0 0 317.455 0.547 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(CC(C)C)C2CC2)C[C@@H](C)O1 ZINC000124103206 395899994 /nfs/dbraw/zinc/89/99/94/395899994.db2.gz JRFPSAKWODCPDX-OCCSQVGLSA-N 0 0 312.410 0.896 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000245467733 395930180 /nfs/dbraw/zinc/93/01/80/395930180.db2.gz SLJXDQSJUFSZEJ-LBPRGKRZSA-N 0 0 305.444 0.368 10 0 DCAERN CN(CC(=O)N1CCC(Cn2cccn2)CC1)S(C)(=O)=O ZINC000125911953 395907296 /nfs/dbraw/zinc/90/72/96/395907296.db2.gz XHRXLGJDCGNWPM-UHFFFAOYSA-N 0 0 314.411 0.013 10 0 DCAERN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCNC(=O)CC1 ZINC000054867749 395907421 /nfs/dbraw/zinc/90/74/21/395907421.db2.gz UOWUGXSXMLPZNJ-GFCCVEGCSA-N 0 0 307.369 0.995 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)NCCCN1CCCC1=O ZINC000127761448 395916769 /nfs/dbraw/zinc/91/67/69/395916769.db2.gz IWONNBSVTUFROM-ZDUSSCGKSA-N 0 0 309.410 0.906 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)NCCCOC)C1 ZINC000245201930 395926914 /nfs/dbraw/zinc/92/69/14/395926914.db2.gz VVXPFNDETQSWAS-ZIAGYGMSSA-N 0 0 313.442 0.908 10 0 DCAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000052593293 395865431 /nfs/dbraw/zinc/86/54/31/395865431.db2.gz XQQKXHPOBRZUCQ-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000119044783 395866437 /nfs/dbraw/zinc/86/64/37/395866437.db2.gz QUOPEEFSZYZUBX-VIFPVBQESA-N 0 0 312.391 0.918 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C[C@@H](C)CS(C)(=O)=O ZINC000119158416 395868180 /nfs/dbraw/zinc/86/81/80/395868180.db2.gz UAPHIOJDYMKMGW-CHWSQXEVSA-N 0 0 304.456 1.000 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000227643280 395869389 /nfs/dbraw/zinc/86/93/89/395869389.db2.gz HDAACCQWDKWEMX-PWSUYJOCSA-N 0 0 304.412 0.030 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000228064069 395870636 /nfs/dbraw/zinc/87/06/36/395870636.db2.gz XBSMZCZZCQMHFK-BDAKNGLRSA-N 0 0 307.803 0.903 10 0 DCAERN Cc1noc(CCNC(=O)Cn2c3ccccc3[nH]c2=O)n1 ZINC000119619531 395873195 /nfs/dbraw/zinc/87/31/95/395873195.db2.gz HUQGQCPULJXBGG-UHFFFAOYSA-N 0 0 301.306 0.380 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000245648646 395932962 /nfs/dbraw/zinc/93/29/62/395932962.db2.gz CCQSMVNVHRJROL-RBOXIYTFSA-N 0 0 314.426 0.565 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc(N)nc(N(C)C)n1 ZINC000248854878 395998782 /nfs/dbraw/zinc/99/87/82/395998782.db2.gz QUHJZTGINOQIAX-NHCYSSNCSA-N 0 0 320.397 0.293 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(Cc3nccc(N)n3)CCO2)n1 ZINC000135055662 395936963 /nfs/dbraw/zinc/93/69/63/395936963.db2.gz MOWGUIZYHQGPKP-CYBMUJFWSA-N 0 0 302.382 0.773 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000245907777 395938456 /nfs/dbraw/zinc/93/84/56/395938456.db2.gz BROHLWSOZZHUQK-TZMCWYRMSA-N 0 0 312.391 0.042 10 0 DCAERN CNC(=O)C1CN(C(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000274359615 395942280 /nfs/dbraw/zinc/94/22/80/395942280.db2.gz KRMMVUXBFRKUEU-UHFFFAOYSA-N 0 0 319.386 0.330 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000246268884 395945591 /nfs/dbraw/zinc/94/55/91/395945591.db2.gz GZDFYZXUPYXOER-KBPBESRZSA-N 0 0 315.373 0.572 10 0 DCAERN O=C([C@H]1CCCOC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136417834 395946636 /nfs/dbraw/zinc/94/66/36/395946636.db2.gz ILFVSQWHBVTGTM-LBPRGKRZSA-N 0 0 316.365 0.200 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(N)c2)CCS1(=O)=O ZINC000274500182 395953912 /nfs/dbraw/zinc/95/39/12/395953912.db2.gz SQXPVEJNIYDQIX-VIFPVBQESA-N 0 0 304.393 0.076 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CCS1(=O)=O ZINC000152111616 396000165 /nfs/dbraw/zinc/00/01/65/396000165.db2.gz PSNJCZKRWARAKN-TVQRCGJNSA-N 0 0 313.350 0.775 10 0 DCAERN COC(=O)CS(=O)(=O)/C=C/S(=O)(=O)c1ccccc1 ZINC000141543881 395958356 /nfs/dbraw/zinc/95/83/56/395958356.db2.gz WCSXFWGUKVQUDX-BQYQJAHWSA-N 0 0 304.345 0.519 10 0 DCAERN CSC[C@@H](CCO)Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000246843021 395959440 /nfs/dbraw/zinc/95/94/40/395959440.db2.gz CMNRZUMIOJFSMY-NEPJUHHUSA-N 0 0 312.439 0.964 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H]1CC ZINC000246932837 395960742 /nfs/dbraw/zinc/96/07/42/395960742.db2.gz IMCOAQLNMNBOML-STQMWFEESA-N 0 0 320.455 0.379 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1C[C@H](C)O ZINC000247069510 395965939 /nfs/dbraw/zinc/96/59/39/395965939.db2.gz ZRGYTLRIIVGSME-CMPLNLGQSA-N 0 0 324.381 0.225 10 0 DCAERN CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)CO)N1CCOCC1 ZINC000247179347 395968868 /nfs/dbraw/zinc/96/88/68/395968868.db2.gz LSEHFWILWRNBGT-RDBSUJKOSA-N 0 0 301.431 0.659 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247227040 395969297 /nfs/dbraw/zinc/96/92/97/395969297.db2.gz WOKPGGZKXMDHSC-LLVKDONJSA-N 0 0 317.415 0.463 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000247236711 395969900 /nfs/dbraw/zinc/96/99/00/395969900.db2.gz XJYPRHWRURAWHW-MGPQQGTHSA-N 0 0 312.410 0.803 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866739 395973894 /nfs/dbraw/zinc/97/38/94/395973894.db2.gz JCEYHLABXOWRTL-RYUDHWBXSA-N 0 0 308.382 0.704 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248122522 395982705 /nfs/dbraw/zinc/98/27/05/395982705.db2.gz UOONLEJZGFUWFR-HIFRSBDPSA-N 0 0 310.419 0.983 10 0 DCAERN C[C@H]1CN([C@H](CNC(=O)NCCO)c2cccs2)CCO1 ZINC000248343740 395984621 /nfs/dbraw/zinc/98/46/21/395984621.db2.gz KRHRGQHSPOMHQB-NWDGAFQWSA-N 0 0 313.423 0.801 10 0 DCAERN C[C@H](NC(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000248395838 395986165 /nfs/dbraw/zinc/98/61/65/395986165.db2.gz PABPZERKPPNUGR-GDLCADMTSA-N 0 0 312.797 0.945 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000151546726 395987640 /nfs/dbraw/zinc/98/76/40/395987640.db2.gz PQYKXSFIHXEWGW-NSHDSACASA-N 0 0 305.382 0.031 10 0 DCAERN CCCCNC(=O)CN1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1 ZINC000065307524 395992400 /nfs/dbraw/zinc/99/24/00/395992400.db2.gz TXJCFTABFYUUPU-UHFFFAOYSA-N 0 0 321.425 0.425 10 0 DCAERN O=C(NCCCO)[C@@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000065404418 395992881 /nfs/dbraw/zinc/99/28/81/395992881.db2.gz RJNLBLCVAGGZCW-LLVKDONJSA-N 0 0 303.366 0.673 10 0 DCAERN O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CCC(=O)NC1=O ZINC000152172793 396002221 /nfs/dbraw/zinc/00/22/21/396002221.db2.gz RHJKFYXZFPDLMK-QWHCGFSZSA-N 0 0 302.330 0.612 10 0 DCAERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000153283428 396023426 /nfs/dbraw/zinc/02/34/26/396023426.db2.gz GQDBZTHVBCDNSH-JHJVBQTASA-N 0 0 311.382 0.721 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000153761614 396025681 /nfs/dbraw/zinc/02/56/81/396025681.db2.gz NRTLTYKTWMYKTC-ZJUUUORDSA-N 0 0 302.338 0.501 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000153862061 396026108 /nfs/dbraw/zinc/02/61/08/396026108.db2.gz ODQVFPDYLQBPTD-QWRGUYRKSA-N 0 0 309.370 0.624 10 0 DCAERN CC(C)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000067511652 396027677 /nfs/dbraw/zinc/02/76/77/396027677.db2.gz CCBKUDQVCFYPRZ-UHFFFAOYSA-N 0 0 317.389 0.425 10 0 DCAERN Cc1nc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(=O)[nH]c1C ZINC000253556382 396030332 /nfs/dbraw/zinc/03/03/32/396030332.db2.gz HXBDFSQVCCBVKL-ZJUUUORDSA-N 0 0 308.382 0.326 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2cccs2)C1 ZINC000154151396 396033130 /nfs/dbraw/zinc/03/31/30/396033130.db2.gz UCMZYYDDJBHACP-SMDDNHRTSA-N 0 0 313.423 0.585 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154158678 396033207 /nfs/dbraw/zinc/03/32/07/396033207.db2.gz VIYKMCPAYJWOKZ-LSDHHAIUSA-N 0 0 322.405 0.572 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)n1 ZINC000067824743 396034874 /nfs/dbraw/zinc/03/48/74/396034874.db2.gz CLUABJALDMDZCS-GFCCVEGCSA-N 0 0 311.407 0.852 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000154868760 396043959 /nfs/dbraw/zinc/04/39/59/396043959.db2.gz FOOYJCVJTQSMDT-QWRGUYRKSA-N 0 0 306.428 0.588 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@H](C)NC(C)=O ZINC000261606919 396048385 /nfs/dbraw/zinc/04/83/85/396048385.db2.gz BIWYUJOFHKQYAB-SMDDNHRTSA-N 0 0 305.378 0.693 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H](C)NC(C)=O ZINC000261606917 396048883 /nfs/dbraw/zinc/04/88/83/396048883.db2.gz BIWYUJOFHKQYAB-RISCZKNCSA-N 0 0 305.378 0.693 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000261856627 396072695 /nfs/dbraw/zinc/07/26/95/396072695.db2.gz ABACTNGNANVSDR-OLZOCXBDSA-N 0 0 323.343 0.901 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@H](C(N)=O)O1 ZINC000157461009 396063258 /nfs/dbraw/zinc/06/32/58/396063258.db2.gz FEDIAYBQGDFKDL-MBWNEHMDSA-N 0 0 310.375 0.139 10 0 DCAERN CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261793027 396066206 /nfs/dbraw/zinc/06/62/06/396066206.db2.gz NSOJMVUVFIRCRG-OAHLLOKOSA-N 0 0 323.368 0.977 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@H]1CO)CC2 ZINC000249103542 396002691 /nfs/dbraw/zinc/00/26/91/396002691.db2.gz QCPLUDQILZZLNU-QJPTWQEYSA-N 0 0 307.398 0.568 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN2CCOC[C@]23CCOC3)C1 ZINC000249392727 396007681 /nfs/dbraw/zinc/00/76/81/396007681.db2.gz BTYVOKLFKROPFT-ZIAGYGMSSA-N 0 0 318.439 0.149 10 0 DCAERN CCn1cnnc1[C@H]1CCCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000249857728 396012976 /nfs/dbraw/zinc/01/29/76/396012976.db2.gz DTPQZKIEGGGGOY-NEPJUHHUSA-N 0 0 323.397 0.155 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152911743 396017795 /nfs/dbraw/zinc/01/77/95/396017795.db2.gz MWPDMLCDTXKWMQ-CHWSQXEVSA-N 0 0 320.418 0.698 10 0 DCAERN C[C@@H](CNC(=O)CCCCN1CCOCC1)N1CCOCC1 ZINC000170684550 396096893 /nfs/dbraw/zinc/09/68/93/396096893.db2.gz VCVCKJKJYGRRBX-HNNXBMFYSA-N 0 0 313.442 0.326 10 0 DCAERN Cc1cc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)on1 ZINC000175731485 396141802 /nfs/dbraw/zinc/14/18/02/396141802.db2.gz KBRJNQPOFMTYLY-RISCZKNCSA-N 0 0 308.382 0.845 10 0 DCAERN COC(=O)c1cn(C[C@@H](O)c2ccc(OC)c(OC)c2)nn1 ZINC000070459919 396101991 /nfs/dbraw/zinc/10/19/91/396101991.db2.gz FAZQMPWNUNABQB-LLVKDONJSA-N 0 0 307.306 0.816 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CCOC)cc1 ZINC000171102655 396107125 /nfs/dbraw/zinc/10/71/25/396107125.db2.gz ZHMMFXBJBYAZBA-JTQLQIEISA-N 0 0 300.380 0.750 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCN([C@H]2C=CCCC2)CC1 ZINC000171279135 396112363 /nfs/dbraw/zinc/11/23/63/396112363.db2.gz LATQGGVSBASFGM-AWEZNQCLSA-N 0 0 315.439 0.290 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCCN2CCOCC2)cn1 ZINC000171530965 396117579 /nfs/dbraw/zinc/11/75/79/396117579.db2.gz OBTREHAEMRCPKG-CQSZACIVSA-N 0 0 307.398 0.599 10 0 DCAERN Cc1nc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cn1C ZINC000171476364 396118085 /nfs/dbraw/zinc/11/80/85/396118085.db2.gz BGEZGDDBFYJKBW-LBPRGKRZSA-N 0 0 320.374 0.334 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCc1cccc(CO)c1 ZINC000171576338 396118839 /nfs/dbraw/zinc/11/88/39/396118839.db2.gz WDRBPOJYDXMFEX-UHFFFAOYSA-N 0 0 305.378 0.991 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000171651836 396121421 /nfs/dbraw/zinc/12/14/21/396121421.db2.gz GUXCBVKINONDDE-NSHDSACASA-N 0 0 312.801 0.846 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171652417 396121607 /nfs/dbraw/zinc/12/16/07/396121607.db2.gz ZRCMTBVDHSYEBX-GFCCVEGCSA-N 0 0 318.377 0.385 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000171828750 396126139 /nfs/dbraw/zinc/12/61/39/396126139.db2.gz FLHPGYXOVUIPPC-SQHYZVFZSA-N 0 0 309.387 0.861 10 0 DCAERN CC1(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)COC1 ZINC000171851411 396126709 /nfs/dbraw/zinc/12/67/09/396126709.db2.gz KGCBSMDQGYQKPX-LBPRGKRZSA-N 0 0 305.382 0.781 10 0 DCAERN Cc1ccc(NC(=O)CN(C)C[C@H](O)CN2CCCC2=O)cc1 ZINC000171883184 396127551 /nfs/dbraw/zinc/12/75/51/396127551.db2.gz IQHOXTZOYKLFJO-HNNXBMFYSA-N 0 0 319.405 0.849 10 0 DCAERN Cn1c(=O)cc(CN2CCCC[C@@H]2c2cn[nH]c2)n(C)c1=O ZINC000172068029 396128366 /nfs/dbraw/zinc/12/83/66/396128366.db2.gz XDXQFQXHWCWLCN-CYBMUJFWSA-N 0 0 303.366 0.534 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)NCC[C@@H](C)O)c1 ZINC000172344096 396131381 /nfs/dbraw/zinc/13/13/81/396131381.db2.gz IQJZOJCXDDTYIY-SNVBAGLBSA-N 0 0 300.380 0.404 10 0 DCAERN COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173987504 396137283 /nfs/dbraw/zinc/13/72/83/396137283.db2.gz TWSAFVYVGXIENN-AWEZNQCLSA-N 0 0 324.429 0.593 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@H](N3CCOCC3)C2)C[C@H](C)O1 ZINC000173952865 396137348 /nfs/dbraw/zinc/13/73/48/396137348.db2.gz HCYBYQOTTWKONW-ZNMIVQPWSA-N 0 0 311.426 0.029 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000278673700 396138994 /nfs/dbraw/zinc/13/89/94/396138994.db2.gz TUBKHGMXZRMRKY-CHWSQXEVSA-N 0 0 304.394 0.995 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCCn3cccn3)C2)cn1 ZINC000174946961 396139428 /nfs/dbraw/zinc/13/94/28/396139428.db2.gz WCMMSLKRLPTAEK-CYBMUJFWSA-N 0 0 317.397 0.585 10 0 DCAERN COc1cc(CNC(=O)CNC(=O)c2cccnc2)ccn1 ZINC000162191673 396079389 /nfs/dbraw/zinc/07/93/89/396079389.db2.gz HHAHUZGBRPNLIG-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCNC(=O)CC1 ZINC000069476143 396079590 /nfs/dbraw/zinc/07/95/90/396079590.db2.gz APISHQWQWHQOQE-ZDUSSCGKSA-N 0 0 316.361 0.323 10 0 DCAERN Cc1csc(N2CCN(C(=O)C3([NH3+])CCOCC3)CC2)n1 ZINC000261947183 396082426 /nfs/dbraw/zinc/08/24/26/396082426.db2.gz YKMKKBBWBSHJOM-UHFFFAOYSA-N 0 0 310.423 0.608 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000162693693 396082678 /nfs/dbraw/zinc/08/26/78/396082678.db2.gz YVKAEJPUKANPNX-WVWOOGAGSA-N 0 0 318.439 0.888 10 0 DCAERN CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CC(F)(F)CN2)n1 ZINC000263203975 396206105 /nfs/dbraw/zinc/20/61/05/396206105.db2.gz JLYNAROIZNKPQU-SFYZADRCSA-N 0 0 304.297 0.733 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)NCCS(C)(=O)=O ZINC000176027739 396148988 /nfs/dbraw/zinc/14/89/88/396148988.db2.gz PDHGOTPFNASLLS-GFCCVEGCSA-N 0 0 314.407 0.936 10 0 DCAERN COc1ccccc1CCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000176442702 396155609 /nfs/dbraw/zinc/15/56/09/396155609.db2.gz ZYWYKMHTIRYGIJ-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000074055481 396156268 /nfs/dbraw/zinc/15/62/68/396156268.db2.gz FXKZHBXLVACYNV-DGCLKSJQSA-N 0 0 318.439 0.874 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@@H](O)C(C)(C)C2)[C@H]1c1cccnc1 ZINC000279177329 396156490 /nfs/dbraw/zinc/15/64/90/396156490.db2.gz BLFPBENDDJIIFQ-GZBFAFLISA-N 0 0 317.389 0.830 10 0 DCAERN CCc1nnc2ccc(N3C[C@@H](C)[C@H](N4CCOCC4)C3)nn21 ZINC000176705354 396158822 /nfs/dbraw/zinc/15/88/22/396158822.db2.gz WJLIYDJYQLEYAJ-CHWSQXEVSA-N 0 0 316.409 0.844 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)NCC3(C)COC3)C2=O)n1 ZINC000176703805 396159312 /nfs/dbraw/zinc/15/93/12/396159312.db2.gz ZLFSZIBXSNAIKM-NSHDSACASA-N 0 0 321.381 0.251 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000177234467 396170366 /nfs/dbraw/zinc/17/03/66/396170366.db2.gz JYNSFZKLLYNZRN-TZMCWYRMSA-N 0 0 320.393 0.570 10 0 DCAERN CNC(=O)c1ccc(NCC2(C(=O)N(C)C)CCCC2)nn1 ZINC000074751572 396171245 /nfs/dbraw/zinc/17/12/45/396171245.db2.gz JUFAMNONNNGDHJ-UHFFFAOYSA-N 0 0 305.382 0.897 10 0 DCAERN Cc1cccc(NC(=O)CN(C)C[C@H](O)CN2CCOCC2)c1 ZINC000177366702 396172796 /nfs/dbraw/zinc/17/27/96/396172796.db2.gz PFZFKGADBZBVBY-INIZCTEOSA-N 0 0 321.421 0.558 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177536621 396178169 /nfs/dbraw/zinc/17/81/69/396178169.db2.gz RJDSYVCPBTULNW-QWHCGFSZSA-N 0 0 315.381 0.664 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000177603783 396179836 /nfs/dbraw/zinc/17/98/36/396179836.db2.gz WQYVMFIIFASENH-CHWSQXEVSA-N 0 0 317.393 0.878 10 0 DCAERN O=S(=O)(Cc1ncc(-c2ccccc2F)o1)C[C@H](O)CO ZINC000177670113 396180560 /nfs/dbraw/zinc/18/05/60/396180560.db2.gz CVLYLWXGWQRFGR-SECBINFHSA-N 0 0 315.322 0.749 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000177787479 396183674 /nfs/dbraw/zinc/18/36/74/396183674.db2.gz OTIDDKVFFZWQDG-MNOVXSKESA-N 0 0 317.349 0.339 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000177804444 396183778 /nfs/dbraw/zinc/18/37/78/396183778.db2.gz VVTAVLRMYIDUGH-WDEREUQCSA-N 0 0 317.349 0.339 10 0 DCAERN CN(C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCNC1=O ZINC000178199913 396191204 /nfs/dbraw/zinc/19/12/04/396191204.db2.gz KTYNJYYAGKDQIL-CHWSQXEVSA-N 0 0 309.435 0.942 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000178243252 396191756 /nfs/dbraw/zinc/19/17/56/396191756.db2.gz YRDJTLOLUQKSCJ-GFCCVEGCSA-N 0 0 315.333 0.501 10 0 DCAERN NC(=O)CCOc1ccc(NC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000262925518 396192173 /nfs/dbraw/zinc/19/21/73/396192173.db2.gz HJEAUOXUENETHE-LLVKDONJSA-N 0 0 313.304 0.877 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262950317 396194079 /nfs/dbraw/zinc/19/40/79/396194079.db2.gz OPQRVLJKUOHGDH-CHWSQXEVSA-N 0 0 300.399 0.912 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000076099166 396196450 /nfs/dbraw/zinc/19/64/50/396196450.db2.gz VNKPKZIGCSNUQT-GXFFZTMASA-N 0 0 303.362 0.780 10 0 DCAERN O=C(NC1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1)C1CC1 ZINC000262999561 396197066 /nfs/dbraw/zinc/19/70/66/396197066.db2.gz OOVFVBWPLDDEAN-LLVKDONJSA-N 0 0 301.337 0.501 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263040992 396199150 /nfs/dbraw/zinc/19/91/50/396199150.db2.gz SUBBTJBDMVEKTM-VXGBXAGGSA-N 0 0 315.364 0.748 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2c(F)cccc2F)n1 ZINC000077834555 396235155 /nfs/dbraw/zinc/23/51/55/396235155.db2.gz GMLFKFNDWFNEOR-UHFFFAOYSA-N 0 0 310.260 0.954 10 0 DCAERN CC[C@@H]1CN(c2ccccc2)CCN1CC(=O)NCC(=O)OC ZINC000184006791 396281210 /nfs/dbraw/zinc/28/12/10/396281210.db2.gz POWUACKEGSBEOZ-CQSZACIVSA-N 0 0 319.405 0.876 10 0 DCAERN COCCCS(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000181501752 396239622 /nfs/dbraw/zinc/23/96/22/396239622.db2.gz HXFJKCCNLFPJTR-UHFFFAOYSA-N 0 0 303.428 0.925 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@@H]1CCC[C@H]1O ZINC000078497792 396246957 /nfs/dbraw/zinc/24/69/57/396246957.db2.gz RJOLQVYISIWDQE-GXSJLCMTSA-N 0 0 305.338 0.572 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182290716 396248887 /nfs/dbraw/zinc/24/88/87/396248887.db2.gz ZNEQZEOIHYMCIO-LLVKDONJSA-N 0 0 315.399 0.196 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCCCn2ccnn2)cc1 ZINC000182933371 396256641 /nfs/dbraw/zinc/25/66/41/396256641.db2.gz UDMSISNWCVVOMI-UHFFFAOYSA-N 0 0 308.363 0.502 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000182957772 396257722 /nfs/dbraw/zinc/25/77/22/396257722.db2.gz AEMFDOJEBZWIQQ-UHFFFAOYSA-N 0 0 324.344 0.853 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1=O ZINC000078972672 396259139 /nfs/dbraw/zinc/25/91/39/396259139.db2.gz YGFUIAHJPDCYSC-LPWJVIDDSA-N 0 0 322.409 0.304 10 0 DCAERN OC[C@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)ncn1 ZINC000264316710 396270324 /nfs/dbraw/zinc/27/03/24/396270324.db2.gz INGARSLVHIGJHS-RKDXNWHRSA-N 0 0 306.288 0.773 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000183564948 396271080 /nfs/dbraw/zinc/27/10/80/396271080.db2.gz KWPPZRAPGRBLMQ-SNVBAGLBSA-N 0 0 307.276 0.377 10 0 DCAERN O=C(CNC(=O)N[C@H]1Cc2ccccc2[C@H]1O)NCC1CC1 ZINC000183796461 396275410 /nfs/dbraw/zinc/27/54/10/396275410.db2.gz PSIZOSUBRMDSNO-DZGCQCFKSA-N 0 0 303.362 0.470 10 0 DCAERN Cn1nccc1C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183797329 396275603 /nfs/dbraw/zinc/27/56/03/396275603.db2.gz QYKIHVONHTUORZ-UHFFFAOYSA-N 0 0 319.409 0.835 10 0 DCAERN CCCCNC(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064160 396283247 /nfs/dbraw/zinc/28/32/47/396283247.db2.gz CXHDQZVDMJOZID-ZDUSSCGKSA-N 0 0 321.425 0.912 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183841991 396275979 /nfs/dbraw/zinc/27/59/79/396275979.db2.gz PRVCSBCCNSESOQ-VXGBXAGGSA-N 0 0 306.366 0.559 10 0 DCAERN O=C(CSc1nnnn1C1CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000077205080 396214566 /nfs/dbraw/zinc/21/45/66/396214566.db2.gz PTBRUZAFSILCEC-ONGXEEELSA-N 0 0 311.411 0.767 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1)C(C)C ZINC000183987626 396280095 /nfs/dbraw/zinc/28/00/95/396280095.db2.gz SJMVOHFPTCLROE-NEPJUHHUSA-N 0 0 324.356 0.422 10 0 DCAERN O=C(c1ccccc1N[C@H]1CCNC1=O)N1CCC[C@H](O)C1 ZINC000179042256 396219356 /nfs/dbraw/zinc/21/93/56/396219356.db2.gz KHBFSDQONQRENG-FZMZJTMJSA-N 0 0 303.362 0.584 10 0 DCAERN O=C(c1ccccc1N[C@@H]1CCNC1=O)N1CCC[C@H](O)C1 ZINC000179042238 396219749 /nfs/dbraw/zinc/21/97/49/396219749.db2.gz KHBFSDQONQRENG-SMDDNHRTSA-N 0 0 303.362 0.584 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000077657837 396227915 /nfs/dbraw/zinc/22/79/15/396227915.db2.gz ZQOONYUWEVADMM-AVGNSLFASA-N 0 0 300.399 0.800 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCCCOC)CC1 ZINC000184984032 396312379 /nfs/dbraw/zinc/31/23/79/396312379.db2.gz UKXVJEHITHPHTQ-CQSZACIVSA-N 0 0 301.431 0.901 10 0 DCAERN CN(Cc1ccc[nH]1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000083198266 396313180 /nfs/dbraw/zinc/31/31/80/396313180.db2.gz GPTNYAKRQALFBC-LBPRGKRZSA-N 0 0 314.411 0.580 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)cnc21 ZINC000184996235 396313367 /nfs/dbraw/zinc/31/33/67/396313367.db2.gz CLCKDDDAIANBAN-WPRPVWTQSA-N 0 0 302.338 0.137 10 0 DCAERN COCCN(Cc1cc(-c2cnn(C)c2)no1)[C@H](C)C(N)=O ZINC000185000481 396313483 /nfs/dbraw/zinc/31/34/83/396313483.db2.gz UKIPUQTXKKIDID-SNVBAGLBSA-N 0 0 307.354 0.397 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2ccc(F)cc2)C1 ZINC000185089749 396316567 /nfs/dbraw/zinc/31/65/67/396316567.db2.gz SWPRJQUTURSEJW-ZDUSSCGKSA-N 0 0 312.341 0.012 10 0 DCAERN CC[C@@H](NCC(=O)N1CCC[C@H](C(N)=O)C1)c1nccs1 ZINC000185085075 396316877 /nfs/dbraw/zinc/31/68/77/396316877.db2.gz OSOISZVELSGCNM-WDEREUQCSA-N 0 0 310.423 0.908 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NCCCOC1CCCCC1 ZINC000185137822 396318363 /nfs/dbraw/zinc/31/83/63/396318363.db2.gz FJMXEJZPNWEAKF-ZIAGYGMSSA-N 0 0 314.426 0.270 10 0 DCAERN Cn1ccc(CC(=O)N2CCN(c3cccs3)C(=O)C2)n1 ZINC000184071649 396283731 /nfs/dbraw/zinc/28/37/31/396283731.db2.gz XXJGHPLVOYBCCU-UHFFFAOYSA-N 0 0 304.375 0.900 10 0 DCAERN CCN(CC)C(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184076521 396284728 /nfs/dbraw/zinc/28/47/28/396284728.db2.gz FQOJDOKQTYKQJX-CYBMUJFWSA-N 0 0 321.425 0.864 10 0 DCAERN O=C(NCC(F)(F)CO)NC1CCN(c2ncccn2)CC1 ZINC000184241240 396289191 /nfs/dbraw/zinc/28/91/91/396289191.db2.gz DWRFAEHNTPLTFI-UHFFFAOYSA-N 0 0 315.324 0.372 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2)n1 ZINC000184238793 396289362 /nfs/dbraw/zinc/28/93/62/396289362.db2.gz RNJFYZVOCBNEIS-NSHDSACASA-N 0 0 313.317 0.017 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000184341077 396291238 /nfs/dbraw/zinc/29/12/38/396291238.db2.gz UEBVBSLVCLJQCU-YPMHNXCESA-N 0 0 309.391 0.974 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)Nc2nc3ccccn3n2)C[C@H]1C ZINC000184355129 396292682 /nfs/dbraw/zinc/29/26/82/396292682.db2.gz NFWSEHITRZESOU-VXGBXAGGSA-N 0 0 318.381 0.648 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccnc(-n2cccn2)c1 ZINC000184371842 396292971 /nfs/dbraw/zinc/29/29/71/396292971.db2.gz UAKXGNZZLBVFLT-AAEUAGOBSA-N 0 0 322.390 0.864 10 0 DCAERN O=C(NC[C@H]1CCC[C@@H]1O)Nc1cnn(-c2ncccn2)c1 ZINC000081082381 396293216 /nfs/dbraw/zinc/29/32/16/396293216.db2.gz QIWCRGLKRMMXNF-PWSUYJOCSA-N 0 0 302.338 0.945 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184456436 396296224 /nfs/dbraw/zinc/29/62/24/396296224.db2.gz OWLAXYILLYYBFL-SPLOXXLWSA-N 0 0 318.439 0.735 10 0 DCAERN CCN(CC)C(=O)CN1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185161731 396320089 /nfs/dbraw/zinc/32/00/89/396320089.db2.gz AFHUYQLLIWGVDT-LLVKDONJSA-N 0 0 311.348 0.396 10 0 DCAERN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1C[C@H](O)C[C@@H]1CO ZINC000184717102 396302204 /nfs/dbraw/zinc/30/22/04/396302204.db2.gz NVOCEZBYHNRORX-FBIMIBRVSA-N 0 0 300.305 0.719 10 0 DCAERN CCc1csc(CC(=O)N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000283070952 396303402 /nfs/dbraw/zinc/30/34/02/396303402.db2.gz DAILJRJWTAYJLI-VIFPVBQESA-N 0 0 302.421 0.894 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@H]1CCOc2ccccc21 ZINC000185170379 396320394 /nfs/dbraw/zinc/32/03/94/396320394.db2.gz MLFONECKFOEENX-BZPMIXESSA-N 0 0 306.362 0.054 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1nc2ccccc2o1 ZINC000184908882 396311041 /nfs/dbraw/zinc/31/10/41/396311041.db2.gz QFMDRORKRAIEGS-LLVKDONJSA-N 0 0 324.358 0.600 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000185345930 396325075 /nfs/dbraw/zinc/32/50/75/396325075.db2.gz DDIIIXZYQRNFMJ-UONOGXRCSA-N 0 0 309.410 0.476 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@](C)(O)C1)CC2 ZINC000185474936 396328964 /nfs/dbraw/zinc/32/89/64/396328964.db2.gz VZYNEJRJOSQIRN-XHDPSFHLSA-N 0 0 307.398 0.883 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2nccn2CC(C)C)C1 ZINC000185516422 396329480 /nfs/dbraw/zinc/32/94/80/396329480.db2.gz JJPQVJSLMYTVGY-UHFFFAOYSA-N 0 0 323.397 0.196 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000185591575 396330622 /nfs/dbraw/zinc/33/06/22/396330622.db2.gz LREUHOWJJNJXOI-ZDUSSCGKSA-N 0 0 317.349 0.661 10 0 DCAERN O=C(Nc1nc2ccccn2n1)N1CCO[C@@]2(CCOC2)C1 ZINC000185477177 396328472 /nfs/dbraw/zinc/32/84/72/396328472.db2.gz TXXRPQXEWNHKSP-AWEZNQCLSA-N 0 0 303.322 0.753 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NCC(F)(F)F ZINC000185920405 396337165 /nfs/dbraw/zinc/33/71/65/396337165.db2.gz IKJALASJYRBGDS-LLVKDONJSA-N 0 0 324.303 0.104 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000185934898 396337674 /nfs/dbraw/zinc/33/76/74/396337674.db2.gz FGLBOIOLMPUWOZ-JTQLQIEISA-N 0 0 315.167 0.735 10 0 DCAERN C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCS1(=O)=O ZINC000265698311 396338007 /nfs/dbraw/zinc/33/80/07/396338007.db2.gz PQZUFFFCSXNPGA-NSHDSACASA-N 0 0 322.386 0.288 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(N)cc1)CC2 ZINC000186005166 396339322 /nfs/dbraw/zinc/33/93/22/396339322.db2.gz SFEDKMSBGJIUJI-LLVKDONJSA-N 0 0 321.406 0.716 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186047685 396339919 /nfs/dbraw/zinc/33/99/19/396339919.db2.gz GCJWWSXUHHIHQV-XHDPSFHLSA-N 0 0 308.334 0.416 10 0 DCAERN O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@]2(CCOC2)C1 ZINC000186077238 396340439 /nfs/dbraw/zinc/34/04/39/396340439.db2.gz SLCWAALOBXJFBL-SUMWQHHRSA-N 0 0 322.405 0.795 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000185870720 396335633 /nfs/dbraw/zinc/33/56/33/396335633.db2.gz QHVOUWAPBXHYON-UHFFFAOYSA-N 0 0 303.322 0.748 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000186202508 396344585 /nfs/dbraw/zinc/34/45/85/396344585.db2.gz WRHFEGGICXCYFT-ZDUSSCGKSA-N 0 0 321.425 0.863 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccoc2Br)C1 ZINC000284470593 396345405 /nfs/dbraw/zinc/34/54/05/396345405.db2.gz BCSBDVQHSUPTTG-XPUUQOCRSA-N 0 0 317.139 0.757 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CCN1CC(F)F ZINC000186270552 396346788 /nfs/dbraw/zinc/34/67/88/396346788.db2.gz XOQCETISLSYLJU-SECBINFHSA-N 0 0 316.308 0.801 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)[nH]n1 ZINC000186711903 396356083 /nfs/dbraw/zinc/35/60/83/396356083.db2.gz YJKOVXDAIGRZFK-LBPRGKRZSA-N 0 0 305.382 0.009 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC(Cn3cncn3)CC2)c1 ZINC000186772386 396357792 /nfs/dbraw/zinc/35/77/92/396357792.db2.gz ZRZIECRIYZXZAW-UHFFFAOYSA-N 0 0 317.397 0.905 10 0 DCAERN COCCCN(CCO)C(=O)NCc1ccc(CO)c(F)c1 ZINC000187105977 396363937 /nfs/dbraw/zinc/36/39/37/396363937.db2.gz LIXUXPOZDVCWRT-UHFFFAOYSA-N 0 0 314.357 0.858 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000187278182 396366818 /nfs/dbraw/zinc/36/68/18/396366818.db2.gz FCWWMPCSWXUXLL-WFASDCNBSA-N 0 0 318.377 0.196 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000285170087 396348384 /nfs/dbraw/zinc/34/83/84/396348384.db2.gz UHOUIYQOGDQAPB-WDEREUQCSA-N 0 0 303.355 0.904 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000285365747 396349510 /nfs/dbraw/zinc/34/95/10/396349510.db2.gz FCLPSFXRNTZOEO-BLLLJJGKSA-N 0 0 304.346 0.077 10 0 DCAERN CC(C)(CO)CCCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186543959 396352179 /nfs/dbraw/zinc/35/21/79/396352179.db2.gz YGFKLXLDVUCIFR-UHFFFAOYSA-N 0 0 304.350 0.847 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(C)c(F)c2)C1 ZINC000188269520 396381136 /nfs/dbraw/zinc/38/11/36/396381136.db2.gz ZUUZTEDLQPMERR-UHFFFAOYSA-N 0 0 309.341 0.791 10 0 DCAERN Cc1cc(N2CCN(C(=O)C(=O)Nc3cccnc3)CC2)n[nH]1 ZINC000188331638 396381839 /nfs/dbraw/zinc/38/18/39/396381839.db2.gz YVHRRJHSIXRMCY-UHFFFAOYSA-N 0 0 314.349 0.400 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC000286235041 396382764 /nfs/dbraw/zinc/38/27/64/396382764.db2.gz KONCQFLCQDIODN-WMLDXEAASA-N 0 0 318.373 0.869 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000188642131 396384314 /nfs/dbraw/zinc/38/43/14/396384314.db2.gz QMEMQWADCFBHMA-LLVKDONJSA-N 0 0 324.377 0.983 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000188677737 396384329 /nfs/dbraw/zinc/38/43/29/396384329.db2.gz DOQBWPNNQADHMC-UHFFFAOYSA-N 0 0 317.393 0.414 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1cc(C)cc(C)c1 ZINC000188738538 396384894 /nfs/dbraw/zinc/38/48/94/396384894.db2.gz SBKZWIDMUYCZDJ-GDBMZVCRSA-N 0 0 320.389 0.780 10 0 DCAERN O=C(NC1CN(C(=O)NCCc2cccnc2)C1)C1CCC1 ZINC000188787084 396386544 /nfs/dbraw/zinc/38/65/44/396386544.db2.gz UXTUNHPOGNCRHZ-UHFFFAOYSA-N 0 0 302.378 0.934 10 0 DCAERN COCCN1CCCN(C(=O)[C@H](C)c2cccnc2)CC1=O ZINC000189059266 396390349 /nfs/dbraw/zinc/39/03/49/396390349.db2.gz OEVYOSKLESDEIK-CYBMUJFWSA-N 0 0 305.378 0.892 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNC(=O)c1ccc(F)cc1F ZINC000189162971 396390938 /nfs/dbraw/zinc/39/09/38/396390938.db2.gz WYLKHZQWMVXEAQ-UHFFFAOYSA-N 0 0 312.316 0.926 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccccc1-n1cnnn1 ZINC000189238982 396392176 /nfs/dbraw/zinc/39/21/76/396392176.db2.gz YRUJETWUQDQHFI-SNVBAGLBSA-N 0 0 300.322 0.013 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCCN2CCOCC2)C1 ZINC000189319082 396393245 /nfs/dbraw/zinc/39/32/45/396393245.db2.gz HDWUJJMEFXPSCZ-UONOGXRCSA-N 0 0 310.398 0.862 10 0 DCAERN CC1(C)CN(C(=O)c2cn(CC(N)=O)nn2)CC2(CCCC2)O1 ZINC000189373518 396394243 /nfs/dbraw/zinc/39/42/43/396394243.db2.gz WEUPHUMOEXHMSK-UHFFFAOYSA-N 0 0 321.381 0.327 10 0 DCAERN CCN1CN(C(=O)NCCNC(=O)c2cccs2)CC1=O ZINC000189771730 396398992 /nfs/dbraw/zinc/39/89/92/396398992.db2.gz JNCAHAKMBKUUOC-UHFFFAOYSA-N 0 0 310.379 0.309 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189776045 396399025 /nfs/dbraw/zinc/39/90/25/396399025.db2.gz GFFNIZNUXOQVCW-OAHLLOKOSA-N 0 0 303.406 0.850 10 0 DCAERN CCOC(=O)CC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189982912 396401455 /nfs/dbraw/zinc/40/14/55/396401455.db2.gz MGJRMANMCXOBEW-UHFFFAOYSA-N 0 0 306.366 0.889 10 0 DCAERN CCOCCS(=O)(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190482661 396406513 /nfs/dbraw/zinc/40/65/13/396406513.db2.gz TWYMKKVMQCGAJJ-UHFFFAOYSA-N 0 0 316.427 0.913 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000190523113 396407008 /nfs/dbraw/zinc/40/70/08/396407008.db2.gz LMAUSOPPAZKZBE-HUUCEWRRSA-N 0 0 320.499 0.978 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000190531451 396407607 /nfs/dbraw/zinc/40/76/07/396407607.db2.gz SISOPFMJJYAOED-ZDUSSCGKSA-N 0 0 322.409 0.261 10 0 DCAERN CCN1CN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1=O ZINC000190532409 396407858 /nfs/dbraw/zinc/40/78/58/396407858.db2.gz RXHUCYVWIGTYQO-NSHDSACASA-N 0 0 304.350 0.845 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190674821 396409536 /nfs/dbraw/zinc/40/95/36/396409536.db2.gz OIFIIVUKXXOASR-VIFPVBQESA-N 0 0 320.349 0.536 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000190675280 396409584 /nfs/dbraw/zinc/40/95/84/396409584.db2.gz QYMXMYIHYCAAFX-MRVPVSSYSA-N 0 0 311.288 0.640 10 0 DCAERN CCc1nc(C2CCN(CC(=O)NCCC(=O)OC)CC2)n[nH]1 ZINC000190680890 396410139 /nfs/dbraw/zinc/41/01/39/396410139.db2.gz HLBFEDQCKAFJBK-UHFFFAOYSA-N 0 0 323.397 0.226 10 0 DCAERN CCn1cc([C@H]2CN(CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813446 396411773 /nfs/dbraw/zinc/41/17/73/396411773.db2.gz MFDAMSHLNWMILH-OAHLLOKOSA-N 0 0 322.409 0.525 10 0 DCAERN COCCN1CCCN(CCC(=O)OC(C)(C)C)CC1=O ZINC000190805334 396411924 /nfs/dbraw/zinc/41/19/24/396411924.db2.gz LVOLYWZIACNWCS-UHFFFAOYSA-N 0 0 300.399 0.899 10 0 DCAERN COCCCS(=O)(=O)N1CCN(Cc2cocn2)CC1 ZINC000191093775 396415133 /nfs/dbraw/zinc/41/51/33/396415133.db2.gz FASNMDROBOUYGG-UHFFFAOYSA-N 0 0 303.384 0.159 10 0 DCAERN COc1ccccc1CN(C)C(=O)CN1CCCN(C)C(=O)C1 ZINC000191147926 396416145 /nfs/dbraw/zinc/41/61/45/396416145.db2.gz NTBFZFIHKKHCNW-UHFFFAOYSA-N 0 0 319.405 0.818 10 0 DCAERN COCCN1CCCN(C(=O)Cc2csc(C)n2)CC1=O ZINC000191278654 396418163 /nfs/dbraw/zinc/41/81/63/396418163.db2.gz GWKGRVDNKCCPSS-UHFFFAOYSA-N 0 0 311.407 0.701 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191427120 396418761 /nfs/dbraw/zinc/41/87/61/396418761.db2.gz FFAKQJMJQDNXLC-MFKMUULPSA-N 0 0 321.425 0.888 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)NCCCn2ccnn2)C[C@H]1C ZINC000191415623 396418938 /nfs/dbraw/zinc/41/89/38/396418938.db2.gz HWBPXOQXEOIYCO-NEPJUHHUSA-N 0 0 309.370 0.509 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000191723299 396423582 /nfs/dbraw/zinc/42/35/82/396423582.db2.gz FTDUHSLDVJINDG-JTQLQIEISA-N 0 0 322.390 0.599 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)NCC1CC1 ZINC000191753277 396424177 /nfs/dbraw/zinc/42/41/77/396424177.db2.gz WUYGQTGYRLNRHV-AVGNSLFASA-N 0 0 308.378 0.845 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOCC(F)F)CC2 ZINC000191834998 396425185 /nfs/dbraw/zinc/42/51/85/396425185.db2.gz UTHHLMSLVKHIQQ-VIFPVBQESA-N 0 0 302.325 0.943 10 0 DCAERN C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)N(C)C ZINC000191794361 396425212 /nfs/dbraw/zinc/42/52/12/396425212.db2.gz CLGAKRRBQMJGID-NSHDSACASA-N 0 0 306.362 0.983 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCOCC(F)F)CC2 ZINC000191834983 396425314 /nfs/dbraw/zinc/42/53/14/396425314.db2.gz UTHHLMSLVKHIQQ-SECBINFHSA-N 0 0 302.325 0.943 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191839745 396425433 /nfs/dbraw/zinc/42/54/33/396425433.db2.gz HDVMKNQZLJZLLM-UHFFFAOYSA-N 0 0 308.363 0.668 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000191920743 396427259 /nfs/dbraw/zinc/42/72/59/396427259.db2.gz SXFDVWGCZZWZHC-AWEZNQCLSA-N 0 0 304.346 0.818 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)C1 ZINC000192460039 396431685 /nfs/dbraw/zinc/43/16/85/396431685.db2.gz LUPGWYGFPNDDCN-YIZRAAEISA-N 0 0 312.288 0.893 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)Cc2ccc(C)cc2F)C1 ZINC000192938964 396441151 /nfs/dbraw/zinc/44/11/51/396441151.db2.gz PXALQHXIFLEMEQ-UHFFFAOYSA-N 0 0 300.355 0.784 10 0 DCAERN COc1cccc(CS(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187927171 396376425 /nfs/dbraw/zinc/37/64/25/396376425.db2.gz BAZNTKRJVKJFFN-UHFFFAOYSA-N 0 0 324.402 0.735 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187927825 396376438 /nfs/dbraw/zinc/37/64/38/396376438.db2.gz HPFCVHHIUWHEPH-LURJTMIESA-N 0 0 300.302 0.477 10 0 DCAERN Cc1ccc(C[C@H](CO)NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000188045342 396378248 /nfs/dbraw/zinc/37/82/48/396378248.db2.gz QIVPRWVCXYCUTC-HZPDHXFCSA-N 0 0 321.421 0.528 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000188077090 396378455 /nfs/dbraw/zinc/37/84/55/396378455.db2.gz SQDNEDREADCYJC-GFCCVEGCSA-N 0 0 313.361 0.682 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1CCCc2c[nH]nc21 ZINC000268979533 396379758 /nfs/dbraw/zinc/37/97/58/396379758.db2.gz MNSDXCCKHUCGBF-GHMZBOCLSA-N 0 0 301.354 0.693 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188231654 396380248 /nfs/dbraw/zinc/38/02/48/396380248.db2.gz YEIXAQUWLWBMBE-NSHDSACASA-N 0 0 314.411 0.197 10 0 DCAERN CN1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1=O ZINC000188211144 396380592 /nfs/dbraw/zinc/38/05/92/396380592.db2.gz LTAROARUXBLTQB-UHFFFAOYSA-N 0 0 317.798 0.729 10 0 DCAERN CCOC(=O)CN(C(=O)c1cccc(C(N)=O)n1)C1CCC1 ZINC000515149374 396499417 /nfs/dbraw/zinc/49/94/17/396499417.db2.gz JSKGMPGVYRHEPV-UHFFFAOYSA-N 0 0 305.334 0.738 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000193500202 396452583 /nfs/dbraw/zinc/45/25/83/396452583.db2.gz CIUGANQOVRUJSW-UHFFFAOYSA-N 0 0 324.768 0.673 10 0 DCAERN COCc1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)o1 ZINC000193530826 396453287 /nfs/dbraw/zinc/45/32/87/396453287.db2.gz BHRQCKPQSRMRBH-UHFFFAOYSA-N 0 0 309.366 0.320 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCc2ccccc21 ZINC000371828179 396477893 /nfs/dbraw/zinc/47/78/93/396477893.db2.gz FHNQCUBACRTTQH-HNNXBMFYSA-N 0 0 301.390 0.592 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(C2CC2)n[nH]1 ZINC000371826913 396477910 /nfs/dbraw/zinc/47/79/10/396477910.db2.gz OIJRXPYKJXZHKK-GFCCVEGCSA-N 0 0 318.377 0.797 10 0 DCAERN O=S(=O)(CCCN1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000371830472 396478160 /nfs/dbraw/zinc/47/81/60/396478160.db2.gz ZHJBUISQHJQAIE-OAHLLOKOSA-N 0 0 324.446 0.867 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371829089 396478260 /nfs/dbraw/zinc/47/82/60/396478260.db2.gz QBDUONAIRWKXOC-AWEZNQCLSA-N 0 0 321.352 0.616 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371869963 396479216 /nfs/dbraw/zinc/47/92/16/396479216.db2.gz LXTQKRCYPJMBLF-HNNXBMFYSA-N 0 0 303.362 0.802 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000371924171 396480207 /nfs/dbraw/zinc/48/02/07/396480207.db2.gz QCMXACOMADQUEJ-LLVKDONJSA-N 0 0 309.395 0.432 10 0 DCAERN O=C(c1cnc2n1CCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000372148422 396493145 /nfs/dbraw/zinc/49/31/45/396493145.db2.gz DZVFOUFNJBUNPR-CYBMUJFWSA-N 0 0 315.377 0.957 10 0 DCAERN O=C(CS(=O)(=O)c1cnccn1)Nc1ccc2c(c1)OCO2 ZINC000530773022 396583794 /nfs/dbraw/zinc/58/37/94/396583794.db2.gz AIFOYKCXSRYVOQ-UHFFFAOYSA-N 0 0 321.314 0.618 10 0 DCAERN O=C1[C@@H](Nc2cncc(OCCO)n2)CN1c1ccc(F)cc1 ZINC000372489493 396521425 /nfs/dbraw/zinc/52/14/25/396521425.db2.gz FZRWVDBKMAAFGP-LBPRGKRZSA-N 0 0 318.308 0.814 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCCN(c2ncccc2F)CC1 ZINC000372628465 396533397 /nfs/dbraw/zinc/53/33/97/396533397.db2.gz AVFVGMPWYBKXNV-UHFFFAOYSA-N 0 0 320.368 0.952 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCc1cnn(C)c1 ZINC000581222966 396535466 /nfs/dbraw/zinc/53/54/66/396535466.db2.gz DXSFOSVQTGXLOJ-LBPRGKRZSA-N 0 0 303.370 0.697 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H]1COCCN1C ZINC000529931067 396571150 /nfs/dbraw/zinc/57/11/50/396571150.db2.gz ATRDZGADNUMVDX-ZBFHGGJFSA-N 0 0 317.389 0.411 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)Cn2ncc3ccccc32)cn1 ZINC000373278842 396580892 /nfs/dbraw/zinc/58/08/92/396580892.db2.gz BRPJSMROSZXUNS-INIZCTEOSA-N 0 0 324.388 0.943 10 0 DCAERN CC(C)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1=O ZINC000561530795 396643869 /nfs/dbraw/zinc/64/38/69/396643869.db2.gz QOVLWKJHIRGSFG-UONOGXRCSA-N 0 0 300.399 0.096 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cnn(C)c1 ZINC000374220619 396649219 /nfs/dbraw/zinc/64/92/19/396649219.db2.gz WBYMICJBFSNGGV-WUWHUORYSA-N 0 0 306.366 0.233 10 0 DCAERN C[C@@H](OCC1CC1)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733384 396651263 /nfs/dbraw/zinc/65/12/63/396651263.db2.gz KJAHVWJOMVIPKA-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN CCOCCC1(CNC(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000373389337 396588594 /nfs/dbraw/zinc/58/85/94/396588594.db2.gz BOPICACPQHGBOJ-CQSZACIVSA-N 0 0 311.426 0.919 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC(C)(C1CC1)C1CC1 ZINC000595364611 396596108 /nfs/dbraw/zinc/59/61/08/396596108.db2.gz QLOASEAKVCETJC-UHFFFAOYSA-N 0 0 304.412 0.894 10 0 DCAERN C[C@H](O)c1cn(CC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)nn1 ZINC000373630464 396604396 /nfs/dbraw/zinc/60/43/96/396604396.db2.gz SOFWRXWORXBXSU-NHYWBVRUSA-N 0 0 324.381 0.128 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373702377 396608574 /nfs/dbraw/zinc/60/85/74/396608574.db2.gz OTEHRBGXJFEFBO-IAQYHMDHSA-N 0 0 313.398 0.620 10 0 DCAERN O=C(c1n[nH]c2c1CCCCC2)N1CCN2CCOC[C@H]2C1 ZINC000373708096 396608930 /nfs/dbraw/zinc/60/89/30/396608930.db2.gz NLWYZFQCPSUSLM-GFCCVEGCSA-N 0 0 304.394 0.835 10 0 DCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000373711120 396609047 /nfs/dbraw/zinc/60/90/47/396609047.db2.gz AKNIYZJXQPKANI-RAIGVLPGSA-N 0 0 312.435 0.965 10 0 DCAERN CN(C)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000536957334 396609814 /nfs/dbraw/zinc/60/98/14/396609814.db2.gz IJLWGNQSMRWLSC-UHFFFAOYSA-N 0 0 310.402 0.923 10 0 DCAERN CN(Cc1ccccc1)C(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000373781467 396613720 /nfs/dbraw/zinc/61/37/20/396613720.db2.gz IAHHNOZQMANUPA-UONOGXRCSA-N 0 0 303.362 0.828 10 0 DCAERN Cn1c2ccc(S(=O)(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2oc1=O ZINC000584703921 396615782 /nfs/dbraw/zinc/61/57/82/396615782.db2.gz OPEHUXFBGFXDBF-GDGBQDQQSA-N 0 0 310.331 0.055 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C(C)C ZINC000560490034 396616899 /nfs/dbraw/zinc/61/68/99/396616899.db2.gz UPIPAAUCMFFUQB-XQQFMLRXSA-N 0 0 302.415 0.421 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000561450136 396641175 /nfs/dbraw/zinc/64/11/75/396641175.db2.gz XJQLMWKJXVLACQ-UHFFFAOYSA-N 0 0 303.351 0.934 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374129698 396641265 /nfs/dbraw/zinc/64/12/65/396641265.db2.gz ICPOGXXKSVTLKJ-YRRQLQLVSA-N 0 0 319.361 0.523 10 0 DCAERN Cc1nc(-c2ccccc2NC(=O)C(=O)N(C)CCCO)no1 ZINC000374423405 396663538 /nfs/dbraw/zinc/66/35/38/396663538.db2.gz NDDSKHZTDLGZGG-UHFFFAOYSA-N 0 0 318.333 0.824 10 0 DCAERN Cc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C ZINC000299739866 396713233 /nfs/dbraw/zinc/71/32/33/396713233.db2.gz SOAMHDOSVAFVJE-LLVKDONJSA-N 0 0 301.354 0.625 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@H]1CO ZINC000300170433 396714681 /nfs/dbraw/zinc/71/46/81/396714681.db2.gz PCADSDMLZJTRPL-QCNOEVLYSA-N 0 0 305.396 0.361 10 0 DCAERN CNC(=O)c1cccnc1N1CCC[C@@H](Cn2cncn2)C1 ZINC000301398749 396715607 /nfs/dbraw/zinc/71/56/07/396715607.db2.gz ORIIIJBAOZDFQI-GFCCVEGCSA-N 0 0 300.366 0.949 10 0 DCAERN CNC(=O)c1cccnc1N1CCC[C@H](Cn2cncn2)C1 ZINC000301398750 396716616 /nfs/dbraw/zinc/71/66/16/396716616.db2.gz ORIIIJBAOZDFQI-LBPRGKRZSA-N 0 0 300.366 0.949 10 0 DCAERN COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)C[C@@H](C)O1 ZINC000302546566 396720322 /nfs/dbraw/zinc/72/03/22/396720322.db2.gz IZDVOGFYRILCQA-MCIONIFRSA-N 0 0 322.409 0.678 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CCO[C@@H](C3CC3)C2)CCC1 ZINC000589702603 396722977 /nfs/dbraw/zinc/72/29/77/396722977.db2.gz AXEHPXLXBXUBFP-GFCCVEGCSA-N 0 0 317.407 0.770 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000303092371 396724040 /nfs/dbraw/zinc/72/40/40/396724040.db2.gz XPYOUQWJEDFCDC-BDJLRTHQSA-N 0 0 317.345 0.402 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)CCCO1 ZINC000589777771 396724098 /nfs/dbraw/zinc/72/40/98/396724098.db2.gz HAKTWISNZLVVPO-GFCCVEGCSA-N 0 0 319.427 0.232 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375287131 396724621 /nfs/dbraw/zinc/72/46/21/396724621.db2.gz NGVJXQJWVCPXHJ-OLZOCXBDSA-N 0 0 311.426 0.470 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@]2(OCCO)CCOC2)c1C ZINC000617717071 396788328 /nfs/dbraw/zinc/78/83/28/396788328.db2.gz ACBGNEPSJAVVQI-MRXNPFEDSA-N 0 0 324.377 0.732 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000375419451 396742616 /nfs/dbraw/zinc/74/26/16/396742616.db2.gz HJVQYJQMEWGLTE-XGUBFFRZSA-N 0 0 312.410 0.238 10 0 DCAERN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000610662386 396744780 /nfs/dbraw/zinc/74/47/80/396744780.db2.gz FRVHMTAJLBYDEH-ZJUUUORDSA-N 0 0 306.370 0.376 10 0 DCAERN CCOC(=O)c1cc(NC(=O)N[C@](C)(CO)COC)cn1C ZINC000610730978 396755545 /nfs/dbraw/zinc/75/55/45/396755545.db2.gz HCAFFQUQXQBAEJ-CQSZACIVSA-N 0 0 313.354 0.721 10 0 DCAERN Nc1nc(N)nc(SCN2C(=O)c3ccccc3C2=O)n1 ZINC000306231808 396755952 /nfs/dbraw/zinc/75/59/52/396755952.db2.gz BXPMBMZVINZMLW-UHFFFAOYSA-N 0 0 302.319 0.382 10 0 DCAERN CC(=O)NCCN(C)c1ncc(I)cn1 ZINC000308293127 396757305 /nfs/dbraw/zinc/75/73/05/396757305.db2.gz IMUIOKVNRIHLSU-UHFFFAOYSA-N 0 0 320.134 0.654 10 0 DCAERN O=C(NCCn1cncn1)c1ncsc1Br ZINC000563951123 396797309 /nfs/dbraw/zinc/79/73/09/396797309.db2.gz FHHQMKUUTWQPTI-UHFFFAOYSA-N 0 0 302.157 0.927 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H](CO)C2)C[C@@H](C)O1 ZINC000312236707 396763235 /nfs/dbraw/zinc/76/32/35/396763235.db2.gz AWDBXZASCZVMKB-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000312569474 396764760 /nfs/dbraw/zinc/76/47/60/396764760.db2.gz LHQDDNKJSBFQBW-LBPRGKRZSA-N 0 0 302.371 0.825 10 0 DCAERN CCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@H]1CCOC1 ZINC000312540943 396764823 /nfs/dbraw/zinc/76/48/23/396764823.db2.gz KZDRCGOCZJTIRN-VIFPVBQESA-N 0 0 318.420 0.575 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCOCC1CCC1 ZINC000563661130 396766976 /nfs/dbraw/zinc/76/69/76/396766976.db2.gz VOGXTBHZHKIEMF-LLVKDONJSA-N 0 0 306.428 0.926 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cn2cccnc2n1 ZINC000610837060 396769338 /nfs/dbraw/zinc/76/93/38/396769338.db2.gz SHBXBDNSEKCYCO-GFCCVEGCSA-N 0 0 320.349 0.768 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 ZINC000610884454 396776703 /nfs/dbraw/zinc/77/67/03/396776703.db2.gz AGSFNAHBAQVEOI-VXGBXAGGSA-N 0 0 312.366 0.672 10 0 DCAERN CN1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ncc[nH]1 ZINC000328620891 396823942 /nfs/dbraw/zinc/82/39/42/396823942.db2.gz HJAJJBKYDNKZHR-GFCCVEGCSA-N 0 0 307.379 0.482 10 0 DCAERN CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1c1ncc[nH]1 ZINC000328621972 396825337 /nfs/dbraw/zinc/82/53/37/396825337.db2.gz IDFDTBJSNQEYFF-LBPRGKRZSA-N 0 0 318.381 0.223 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cn1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629770235 396827136 /nfs/dbraw/zinc/82/71/36/396827136.db2.gz KUJJSZFTWUXYBM-ZWKOPEQDSA-N 0 0 300.322 0.043 10 0 DCAERN Cc1cn2nc(N3CCC[C@H]3c3nc(C(N)=O)no3)sc2n1 ZINC000328637583 396828584 /nfs/dbraw/zinc/82/85/84/396828584.db2.gz WAVMHAHJYCNUKF-ZETCQYMHSA-N 0 0 319.350 0.923 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2ccncc2Br)C1 ZINC000625362944 396847326 /nfs/dbraw/zinc/84/73/26/396847326.db2.gz HJZQWZFCGHBMCD-NSHDSACASA-N 0 0 300.156 0.266 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000375956446 396850386 /nfs/dbraw/zinc/85/03/86/396850386.db2.gz XABJRVHSBQPUHG-CDGCEXEKSA-N 0 0 309.410 0.798 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629927443 396888406 /nfs/dbraw/zinc/88/84/06/396888406.db2.gz CWXJNEIRPLEVML-KGLIPLIRSA-N 0 0 307.394 0.657 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000332750049 396892072 /nfs/dbraw/zinc/89/20/72/396892072.db2.gz YIZXBSMIFUXTCH-GXSJLCMTSA-N 0 0 315.381 0.715 10 0 DCAERN O=C(N[C@H]1CCCOC1)[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000332827282 396894905 /nfs/dbraw/zinc/89/49/05/396894905.db2.gz JOQUUBBIAAHGHB-AJNGGQMLSA-N 0 0 324.421 0.993 10 0 DCAERN CO[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC000634695646 396897391 /nfs/dbraw/zinc/89/73/91/396897391.db2.gz XNZMPVOQTNQMJR-PWSUYJOCSA-N 0 0 305.396 0.375 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376625872 396954737 /nfs/dbraw/zinc/95/47/37/396954737.db2.gz FBVPACNFJKBMDG-LLVKDONJSA-N 0 0 306.366 0.887 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccncc2Cl)CCN1S(C)(=O)=O ZINC000618675754 397009735 /nfs/dbraw/zinc/00/97/35/397009735.db2.gz HJGCRVPMDSKDGI-SECBINFHSA-N 0 0 317.798 0.841 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCCS2)CCN1S(C)(=O)=O ZINC000618677728 397011733 /nfs/dbraw/zinc/01/17/33/397011733.db2.gz WWMMBDUZFSKVJR-MNOVXSKESA-N 0 0 306.453 0.764 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)c1ccco1 ZINC000618718657 397016586 /nfs/dbraw/zinc/01/65/86/397016586.db2.gz FWDYKNKIZFJOLJ-DCAQKATOSA-N 0 0 310.350 0.956 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(C)(F)F ZINC000618753525 397023075 /nfs/dbraw/zinc/02/30/75/397023075.db2.gz XUBLQUGLWZQPKC-RKDXNWHRSA-N 0 0 308.325 0.994 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](C)C1CC1 ZINC000618809004 397026685 /nfs/dbraw/zinc/02/66/85/397026685.db2.gz PULOUGMIDKJLBZ-AXFHLTTASA-N 0 0 313.398 0.788 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@@H]2C(N)=O)ccc1-n1cncn1 ZINC000347243323 397029343 /nfs/dbraw/zinc/02/93/43/397029343.db2.gz VCZGHCPUNZSFLM-DGCLKSJQSA-N 0 0 317.324 0.614 10 0 DCAERN C[C@@H](C(=O)N1CCC(=O)[C@@H](C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000377095261 397029362 /nfs/dbraw/zinc/02/93/62/397029362.db2.gz RHVVCHMGXAFTFW-QWRGUYRKSA-N 0 0 321.377 0.677 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000377116156 397032195 /nfs/dbraw/zinc/03/21/95/397032195.db2.gz UROUVRYLHOMNLV-LRDDRELGSA-N 0 0 309.410 0.668 10 0 DCAERN CSCCNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000618856927 397035111 /nfs/dbraw/zinc/03/51/11/397035111.db2.gz ZIOLIGVLMCFRER-UHFFFAOYSA-N 0 0 319.386 0.956 10 0 DCAERN Cc1nccc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000377337789 397068927 /nfs/dbraw/zinc/06/89/27/397068927.db2.gz PZNBFQFGYHUJIF-AWEZNQCLSA-N 0 0 310.423 0.785 10 0 DCAERN COc1ccnc(N[C@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000572574046 397072840 /nfs/dbraw/zinc/07/28/40/397072840.db2.gz LNMMVFJOBUAWDW-JTQLQIEISA-N 0 0 302.338 0.826 10 0 DCAERN CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])N1C1CC1 ZINC000630666041 397076399 /nfs/dbraw/zinc/07/63/99/397076399.db2.gz OCBAFLVFZYQSJI-UONOGXRCSA-N 0 0 308.378 0.872 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CNC(=O)c3ccccc32)[C@H](C)C1 ZINC000626138074 397086617 /nfs/dbraw/zinc/08/66/17/397086617.db2.gz ICQCGJGDYSGCKV-ABAIWWIYSA-N 0 0 315.373 0.593 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000618929115 397044184 /nfs/dbraw/zinc/04/41/84/397044184.db2.gz CWTDYHSCOAPUSI-DZGCQCFKSA-N 0 0 304.394 0.726 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000618929117 397044189 /nfs/dbraw/zinc/04/41/89/397044189.db2.gz CWTDYHSCOAPUSI-UKRRQHHQSA-N 0 0 304.394 0.726 10 0 DCAERN CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cccc2ncnn21 ZINC000612415743 397048943 /nfs/dbraw/zinc/04/89/43/397048943.db2.gz XFJJVDNYPBBPEB-NSHDSACASA-N 0 0 306.322 0.379 10 0 DCAERN CN(CC(=O)[O-])C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000630570819 397048914 /nfs/dbraw/zinc/04/89/14/397048914.db2.gz NUUZDLZZEOAJMQ-UHFFFAOYSA-N 0 0 319.405 0.913 10 0 DCAERN COC(=O)c1nn(C[C@H]2CCS(=O)(=O)C2)c2c1CCCC2 ZINC000618964188 397049171 /nfs/dbraw/zinc/04/91/71/397049171.db2.gz HCORRFVRFKJYNM-SNVBAGLBSA-N 0 0 312.391 0.983 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@@H]1CN1CCOCC1)S(C)(=O)=O ZINC000377687468 397124560 /nfs/dbraw/zinc/12/45/60/397124560.db2.gz TXBUADDEXKVNID-QWHCGFSZSA-N 0 0 318.439 0.133 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000377948022 397168703 /nfs/dbraw/zinc/16/87/03/397168703.db2.gz FKPNJLQGGLATIM-AWEZNQCLSA-N 0 0 303.362 0.900 10 0 DCAERN Cc1nc([C@H]2COCCN2S(=O)(=O)N2CCC[C@@H]2C)no1 ZINC000364223124 397185467 /nfs/dbraw/zinc/18/54/67/397185467.db2.gz ZWXCJAOIBHZMAS-GXSJLCMTSA-N 0 0 316.383 0.480 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](C)[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365135272 397247690 /nfs/dbraw/zinc/24/76/90/397247690.db2.gz SDCWLOIGLZBBDV-FIQHERPVSA-N 0 0 304.412 0.292 10 0 DCAERN C[C@H](CCNC(=O)N[C@H]1CCC(=O)NC12CCC2)[S@@](C)=O ZINC000619800667 397194757 /nfs/dbraw/zinc/19/47/57/397194757.db2.gz VWPDZTCKPFQNEQ-NNUHMIRASA-N 0 0 315.439 0.644 10 0 DCAERN CCN1CC[C@@H](NC(=O)NC[C@@H]2CCc3nnc(C)n3C2)C1=O ZINC000619803551 397196086 /nfs/dbraw/zinc/19/60/86/397196086.db2.gz LXTXZPLUAMSLPT-NWDGAFQWSA-N 0 0 320.397 0.069 10 0 DCAERN CCN1CC[C@H](NC(=O)c2c(C)[nH]c(C(=O)OC)c2C)C1=O ZINC000619825481 397197992 /nfs/dbraw/zinc/19/79/92/397197992.db2.gz OVLZZKMQMNPVOB-JTQLQIEISA-N 0 0 307.350 0.769 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1C[C@@H](F)C[C@H]1CO ZINC000364610433 397227274 /nfs/dbraw/zinc/22/72/74/397227274.db2.gz JTQZHRMKSYIUJG-CBAPKCEASA-N 0 0 301.347 0.031 10 0 DCAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC(F)(F)C[C@H]1CO ZINC000364657281 397231245 /nfs/dbraw/zinc/23/12/45/397231245.db2.gz MAPPQPRAQVXRDL-QMMMGPOBSA-N 0 0 309.272 0.765 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)c2coc(Br)c2)C1=O ZINC000383278692 397276894 /nfs/dbraw/zinc/27/68/94/397276894.db2.gz IDEPSSAMAHBWJH-ZCFIWIBFSA-N 0 0 301.096 0.529 10 0 DCAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000384755956 397281026 /nfs/dbraw/zinc/28/10/26/397281026.db2.gz PDBNWDNNMNUJJT-WOPDTQHZSA-N 0 0 304.412 0.030 10 0 DCAERN O=S(=O)(CCc1cccs1)N1CCN2CCOC[C@@H]2C1 ZINC000365531922 397291838 /nfs/dbraw/zinc/29/18/38/397291838.db2.gz GTAZSCSSAUPQQK-LBPRGKRZSA-N 0 0 316.448 0.637 10 0 DCAERN O=C(c1nc2cccnc2s1)N1CCN2CCOC[C@H]2C1 ZINC000365737251 397309160 /nfs/dbraw/zinc/30/91/60/397309160.db2.gz WVQDKCFOILVEMA-SNVBAGLBSA-N 0 0 304.375 0.848 10 0 DCAERN C[C@H](C(=O)N1CC(n2ccnn2)C1)n1nnc(-c2ccccc2)n1 ZINC000378535461 397253954 /nfs/dbraw/zinc/25/39/54/397253954.db2.gz FZLMJACSMZZVHF-LLVKDONJSA-N 0 0 324.348 0.576 10 0 DCAERN CCN1C(=O)[C@H]2CN(C(=O)c3cccc(O)c3)CCN2C1=O ZINC000378562409 397257255 /nfs/dbraw/zinc/25/72/55/397257255.db2.gz KGRZVHGORZIRKI-GFCCVEGCSA-N 0 0 303.318 0.501 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)c2cscn2)CC1 ZINC000574396285 397263403 /nfs/dbraw/zinc/26/34/03/397263403.db2.gz PFHXKHIAYGIONK-UHFFFAOYSA-N 0 0 303.409 0.680 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407953266 397335100 /nfs/dbraw/zinc/33/51/00/397335100.db2.gz LJDBSAPZCSHERI-XQQFMLRXSA-N 0 0 318.439 0.876 10 0 DCAERN CSC1(CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)CCOCC1 ZINC000407955875 397335500 /nfs/dbraw/zinc/33/55/00/397335500.db2.gz SKMIYVXKVYMRID-NSHDSACASA-N 0 0 315.439 0.771 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(C2CC2)C(=O)C1 ZINC000407956703 397335992 /nfs/dbraw/zinc/33/59/92/397335992.db2.gz JSRJAWDNOJKALJ-NSHDSACASA-N 0 0 303.366 0.283 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)CCC(=O)NC1 ZINC000407958469 397336736 /nfs/dbraw/zinc/33/67/36/397336736.db2.gz PFQHWFCMUUBTFV-PEXQALLHSA-N 0 0 308.300 0.817 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366052693 397337491 /nfs/dbraw/zinc/33/74/91/397337491.db2.gz TXQRJYDXHHEZFG-ZDEQEGDKSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC(=O)N1C ZINC000407967377 397340559 /nfs/dbraw/zinc/34/05/59/397340559.db2.gz CSDSGRRXNCVCLO-NSHDSACASA-N 0 0 310.398 0.069 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC(=O)N1C ZINC000407969923 397341672 /nfs/dbraw/zinc/34/16/72/397341672.db2.gz ACDHQPCZVYYHNV-ZCFIWIBFSA-N 0 0 320.275 0.196 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)no1 ZINC000408112880 397347544 /nfs/dbraw/zinc/34/75/44/397347544.db2.gz QPYCTTRFGBKWHF-ONGXEEELSA-N 0 0 312.347 0.808 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408262965 397351598 /nfs/dbraw/zinc/35/15/98/397351598.db2.gz ADHASKNTMQBNBX-SRVKXCTJSA-N 0 0 309.370 0.294 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000613973695 397355392 /nfs/dbraw/zinc/35/53/92/397355392.db2.gz AEFNQLNXAVZXLP-UUILKARUSA-N 0 0 324.406 0.765 10 0 DCAERN CC(C)CC(=O)N1CCc2nnc([C@@H]3C[C@@H](O)CN3C)n2CC1 ZINC000409419628 397359272 /nfs/dbraw/zinc/35/92/72/397359272.db2.gz HSVFCNBSPZTZMV-OLZOCXBDSA-N 0 0 321.425 0.446 10 0 DCAERN CC1(C)CN(CC(=O)NCC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000366562296 397377997 /nfs/dbraw/zinc/37/79/97/397377997.db2.gz ABRAOWULBPCGSA-LBPRGKRZSA-N 0 0 310.316 0.935 10 0 DCAERN CC(C)[C@H](O)CN1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000366586677 397382061 /nfs/dbraw/zinc/38/20/61/397382061.db2.gz AMRAUYSRBRQLPE-QWHCGFSZSA-N 0 0 321.381 0.860 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369143989 397434401 /nfs/dbraw/zinc/43/44/01/397434401.db2.gz NGLZHEHYFNLILF-ZIAGYGMSSA-N 0 0 310.394 0.510 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccco2)C1 ZINC000459867351 397437671 /nfs/dbraw/zinc/43/76/71/397437671.db2.gz ULSGQRLXIKQLFB-LBPRGKRZSA-N 0 0 321.377 0.755 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000460015398 397440934 /nfs/dbraw/zinc/44/09/34/397440934.db2.gz WTUYXEGMAGTVMN-UHFFFAOYSA-N 0 0 322.434 0.656 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000614456604 397443346 /nfs/dbraw/zinc/44/33/46/397443346.db2.gz SZNLPZOUNBTAPI-SMDDNHRTSA-N 0 0 313.361 0.723 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](CC(F)(F)F)C2)C1 ZINC000621526366 397393861 /nfs/dbraw/zinc/39/38/61/397393861.db2.gz OWPMACADJYPMFD-MNOVXSKESA-N 0 0 323.315 0.970 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC000370252672 397462293 /nfs/dbraw/zinc/46/22/93/397462293.db2.gz OQFQZMMOGLUQSN-UHFFFAOYSA-N 0 0 314.411 0.040 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)Cn3ncn(C)c3=O)CC2)n1 ZINC000370328468 397471185 /nfs/dbraw/zinc/47/11/85/397471185.db2.gz XGAWSZQQSHDTKE-UHFFFAOYSA-N 0 0 316.365 0.086 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)COc1ccc(CO)cc1 ZINC000614551926 397468979 /nfs/dbraw/zinc/46/89/79/397468979.db2.gz VWMWLLMWILOYMF-ZDUSSCGKSA-N 0 0 306.362 0.731 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000488310201 397488689 /nfs/dbraw/zinc/48/86/89/397488689.db2.gz GNGLAVKHNFWLRJ-GRYCIOLGSA-N 0 0 314.382 0.518 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000370473377 397490463 /nfs/dbraw/zinc/49/04/63/397490463.db2.gz SDZXTHWIHHVUCK-CHWSQXEVSA-N 0 0 312.435 0.965 10 0 DCAERN Cc1cc[nH]c1C(=O)N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000370467860 397490487 /nfs/dbraw/zinc/49/04/87/397490487.db2.gz FMPJOSXUEQFKFZ-HNNXBMFYSA-N 0 0 304.350 0.868 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000370445759 397486315 /nfs/dbraw/zinc/48/63/15/397486315.db2.gz XQMOIXSHTKPGKP-JLNYLFASSA-N 0 0 320.393 0.623 10 0 DCAERN O=C(CN1CC[C@@](O)(C2CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000370666047 397513459 /nfs/dbraw/zinc/51/34/59/397513459.db2.gz FUMWYZKUYSZQFF-KRWDZBQOSA-N 0 0 315.373 0.819 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)no1 ZINC000370576113 397503995 /nfs/dbraw/zinc/50/39/95/397503995.db2.gz PMUHGWRCBVTFSF-VIFPVBQESA-N 0 0 319.369 0.737 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCc1ccccn1 ZINC000578959431 397505193 /nfs/dbraw/zinc/50/51/93/397505193.db2.gz BXCZJXLZKIOOBA-INIZCTEOSA-N 0 0 301.346 0.353 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000603152162 397575935 /nfs/dbraw/zinc/57/59/35/397575935.db2.gz BPYXVXCGDGWUSR-TXTZDMIGSA-N 0 0 300.424 0.803 10 0 DCAERN COC[C@H](C)OC[C@H](O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000579579754 397581387 /nfs/dbraw/zinc/58/13/87/397581387.db2.gz BGJQNZHJPNKZET-MJBXVCDLSA-N 0 0 303.399 0.815 10 0 DCAERN CN1C[C@@H](CNC(=O)Cn2cccnc2=O)Cc2ccccc21 ZINC000370710668 397517543 /nfs/dbraw/zinc/51/75/43/397517543.db2.gz MORRYSYREZVGRT-CYBMUJFWSA-N 0 0 312.373 0.668 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCCS(C)(=O)=O)cc1 ZINC000494812463 397533524 /nfs/dbraw/zinc/53/35/24/397533524.db2.gz YNEQPPUPPSURPQ-UHFFFAOYSA-N 0 0 312.391 0.834 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)N1CCCC2(CCOCC2)C1 ZINC000371041758 397537247 /nfs/dbraw/zinc/53/72/47/397537247.db2.gz OQIPXTWXRXVHSV-LLVKDONJSA-N 0 0 309.366 0.394 10 0 DCAERN CC(=O)c1cn([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nn1 ZINC000603258187 397589789 /nfs/dbraw/zinc/58/97/89/397589789.db2.gz PWFZUOGIDGETRJ-LLVKDONJSA-N 0 0 308.338 0.596 10 0 DCAERN CCOC(=O)CN(C1CC1)S(=O)(=O)C(COC)COC ZINC000603282654 397592495 /nfs/dbraw/zinc/59/24/95/397592495.db2.gz FXENNBLTUJXVSN-UHFFFAOYSA-N 0 0 309.384 0.005 10 0 DCAERN COc1cccc(C[C@H](O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000579911831 397597252 /nfs/dbraw/zinc/59/72/52/397597252.db2.gz VZOABJUELINQPN-HOCLYGCPSA-N 0 0 320.389 0.142 10 0 DCAERN CO[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(O)cc1 ZINC000579974256 397602289 /nfs/dbraw/zinc/60/22/89/397602289.db2.gz DHBLBMQXKLXSRM-OAHLLOKOSA-N 0 0 304.346 0.913 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000604188236 397632854 /nfs/dbraw/zinc/63/28/54/397632854.db2.gz SCUIJVBTXWMGBG-NEPJUHHUSA-N 0 0 321.443 0.118 10 0 DCAERN CCn1nc(C(=O)N[C@@](C)(COC)C(F)(F)F)ccc1=O ZINC000608225443 397721084 /nfs/dbraw/zinc/72/10/84/397721084.db2.gz MMFJVGOGJMZTEB-NSHDSACASA-N 0 0 307.272 0.960 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608233917 397722688 /nfs/dbraw/zinc/72/26/88/397722688.db2.gz PQRKDDBPPKKXIC-NOZJJQNGSA-N 0 0 316.365 0.629 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)CCn3cccn3)CCO2)n1 ZINC000608246127 397723049 /nfs/dbraw/zinc/72/30/49/397723049.db2.gz HOUMHKVVLKPXQT-CQSZACIVSA-N 0 0 318.381 0.409 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608399630 397728457 /nfs/dbraw/zinc/72/84/57/397728457.db2.gz GFLZWOKMZRMNQZ-LSCVPOLPSA-N 0 0 305.382 0.869 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1CCSC1 ZINC000608421373 397729598 /nfs/dbraw/zinc/72/95/98/397729598.db2.gz ZHLCILXOOJOSKX-SNVBAGLBSA-N 0 0 307.441 0.217 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1Cc2ccccc21 ZINC000607898159 397706086 /nfs/dbraw/zinc/70/60/86/397706086.db2.gz VESQBPQXJUFVKH-AWEZNQCLSA-N 0 0 308.403 0.868 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCc1ccc(Cl)o1 ZINC000610517182 397828003 /nfs/dbraw/zinc/82/80/03/397828003.db2.gz TVEOHWPYRHAEGW-UHFFFAOYSA-N 0 0 310.759 0.762 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)C2O)C(C)C ZINC000172851320 292183182 /nfs/dbraw/zinc/18/31/82/292183182.db2.gz UOGNLINRBSMWKJ-PEZGSVAQSA-N 0 0 312.410 0.393 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000194810878 304369400 /nfs/dbraw/zinc/36/94/00/304369400.db2.gz PKVMEARXUIBNDL-QWHCGFSZSA-N 0 0 301.346 0.212 10 0 DCAERN COc1nc(N2C[C@H](F)C[C@H]2C(N)=O)ncc1Br ZINC000284544350 286554585 /nfs/dbraw/zinc/55/45/85/286554585.db2.gz KXTKGRIJPGAFCR-VDTYLAMSSA-N 0 0 319.134 0.650 10 0 DCAERN O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000329515289 304407989 /nfs/dbraw/zinc/40/79/89/304407989.db2.gz DDEZGYUBGSJVJN-LXTVHRRPSA-N 0 0 322.405 0.651 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371793934 286633965 /nfs/dbraw/zinc/63/39/65/286633965.db2.gz CHIODNIFSUZUFZ-CYBMUJFWSA-N 0 0 324.402 0.247 10 0 DCAERN CSCC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000171171708 286660813 /nfs/dbraw/zinc/66/08/13/286660813.db2.gz ZDRWSLDGEUPYOP-UHFFFAOYSA-N 0 0 311.411 0.982 10 0 DCAERN CCOCCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000047074029 158002705 /nfs/dbraw/zinc/00/27/05/158002705.db2.gz FMZFZHBTOASUIG-CQSZACIVSA-N 0 0 312.410 0.901 10 0 DCAERN O=C1NCCC[C@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394900 158011792 /nfs/dbraw/zinc/01/17/92/158011792.db2.gz NUUORPOAEBSZCL-VXGBXAGGSA-N 0 0 312.366 0.912 10 0 DCAERN CCc1nc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316196 158020274 /nfs/dbraw/zinc/02/02/74/158020274.db2.gz VFBRTHAGYFNPJC-GFCCVEGCSA-N 0 0 308.382 0.703 10 0 DCAERN Cn1cc(S(=O)(=O)N[C@H]2COc3ccccc32)cc1C(N)=O ZINC000058507057 158026318 /nfs/dbraw/zinc/02/63/18/158026318.db2.gz VIADOZAGUMXVOH-NSHDSACASA-N 0 0 321.358 0.536 10 0 DCAERN C[C@@H](CC(=O)N1CCNC(=O)CC1)NC(=O)c1ccccc1 ZINC000065903206 158034174 /nfs/dbraw/zinc/03/41/74/158034174.db2.gz UKVYLYHAERKBKC-LBPRGKRZSA-N 0 0 303.362 0.544 10 0 DCAERN Cc1c(C(=O)N2CCNC(=O)CC2)nnn1-c1ccc(C)cc1 ZINC000065901892 158034258 /nfs/dbraw/zinc/03/42/58/158034258.db2.gz MCABAWICUOCRHB-UHFFFAOYSA-N 0 0 313.361 0.846 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000068258574 158041912 /nfs/dbraw/zinc/04/19/12/158041912.db2.gz LOIPQZXLZUWFLF-AWEZNQCLSA-N 0 0 303.362 0.602 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NCCCc1cccc(F)c1 ZINC000069059832 158044921 /nfs/dbraw/zinc/04/49/21/158044921.db2.gz CVOUDZDQRGYCTR-UHFFFAOYSA-N 0 0 317.386 0.607 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1cccc(Br)c1 ZINC000070079157 158046526 /nfs/dbraw/zinc/04/65/26/158046526.db2.gz GRVNELGNSCQSMV-UHFFFAOYSA-N 0 0 312.123 0.939 10 0 DCAERN O=C(NN1CCOCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000072967235 158053336 /nfs/dbraw/zinc/05/33/36/158053336.db2.gz SYQHEBJRDNUMNO-HNNXBMFYSA-N 0 0 317.389 0.441 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)C(N)=O)C2)cn1 ZINC000073752338 158056663 /nfs/dbraw/zinc/05/66/63/158056663.db2.gz LOXPOKLBZSIKBP-NSHDSACASA-N 0 0 322.413 0.200 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000073988997 158057380 /nfs/dbraw/zinc/05/73/80/158057380.db2.gz AORGKFIHVKBVCA-LBPRGKRZSA-N 0 0 320.393 0.848 10 0 DCAERN O=C(CCn1ccnn1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000074685008 158059881 /nfs/dbraw/zinc/05/98/81/158059881.db2.gz VYZIXHOMSFFLFP-AWEZNQCLSA-N 0 0 313.361 0.980 10 0 DCAERN CCn1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000074690923 158060067 /nfs/dbraw/zinc/06/00/67/158060067.db2.gz UIKFIDLXNPTJCI-CYBMUJFWSA-N 0 0 320.393 0.614 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000075976953 158062924 /nfs/dbraw/zinc/06/29/24/158062924.db2.gz CMJNKSQKBVMJQM-PWSUYJOCSA-N 0 0 303.428 0.898 10 0 DCAERN CCCCCNC(=O)C1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000076304278 158064590 /nfs/dbraw/zinc/06/45/90/158064590.db2.gz NGAVYUQKVSPLME-UHFFFAOYSA-N 0 0 322.409 0.797 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000077619956 158069221 /nfs/dbraw/zinc/06/92/21/158069221.db2.gz DCQRRZOHYOKPDV-QWHCGFSZSA-N 0 0 324.425 0.555 10 0 DCAERN CC(=O)N1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000078263916 158071472 /nfs/dbraw/zinc/07/14/72/158071472.db2.gz NTSLSNZCHAVYMS-LLVKDONJSA-N 0 0 307.350 0.479 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000079042149 158076581 /nfs/dbraw/zinc/07/65/81/158076581.db2.gz YZMBEGMHRNIRNB-NWDGAFQWSA-N 0 0 308.382 0.060 10 0 DCAERN CCc1cnc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000081213407 158084336 /nfs/dbraw/zinc/08/43/36/158084336.db2.gz MMWQOQDPRXATCM-UHFFFAOYSA-N 0 0 310.379 0.652 10 0 DCAERN O=C(Cn1cnnn1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000087500101 158093138 /nfs/dbraw/zinc/09/31/38/158093138.db2.gz AFRFEZIPMZBYIM-SECBINFHSA-N 0 0 308.292 0.346 10 0 DCAERN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc1S(C)(=O)=O ZINC000089199732 158095581 /nfs/dbraw/zinc/09/55/81/158095581.db2.gz MTQPKUQHMBWOQO-SNVBAGLBSA-N 0 0 310.375 0.815 10 0 DCAERN Cc1ccc(NC(=O)[C@@H]2CCNC(=O)C2)cc1S(C)(=O)=O ZINC000089199560 158096342 /nfs/dbraw/zinc/09/63/42/158096342.db2.gz DRUUQWCGSCSLMF-SNVBAGLBSA-N 0 0 310.375 0.863 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C3CCC3)cc2=O)C1 ZINC000089702663 158098712 /nfs/dbraw/zinc/09/87/12/158098712.db2.gz SIPNORHVWHSZMQ-GFCCVEGCSA-N 0 0 318.377 0.235 10 0 DCAERN COCc1cc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)ncn1 ZINC000091240287 158108112 /nfs/dbraw/zinc/10/81/12/158108112.db2.gz KLLRIGBCZMEYTQ-PHIMTYICSA-N 0 0 304.350 0.676 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)N1CCOC[C@H]1C(N)=O ZINC000091781784 158108885 /nfs/dbraw/zinc/10/88/85/158108885.db2.gz IMNIKULJKIMMEW-NSHDSACASA-N 0 0 312.753 0.740 10 0 DCAERN COC(=O)[C@H]1CN(CCCNC(=O)C(F)(F)F)C[C@@H](C)O1 ZINC000091591990 158109570 /nfs/dbraw/zinc/10/95/70/158109570.db2.gz VXKONPWMARIYCN-RKDXNWHRSA-N 0 0 312.288 0.317 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000091779003 158109663 /nfs/dbraw/zinc/10/96/63/158109663.db2.gz AARPSRDGLSYJQR-ZDUSSCGKSA-N 0 0 312.329 0.470 10 0 DCAERN COc1ccc2c(CN3CCOC[C@H]3C(N)=O)cc(=O)oc2c1 ZINC000092230900 158112513 /nfs/dbraw/zinc/11/25/13/158112513.db2.gz HZZKXGLHOWBHIK-ZDUSSCGKSA-N 0 0 318.329 0.488 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000093191128 158118468 /nfs/dbraw/zinc/11/84/68/158118468.db2.gz SEVIUCGAUYJWNB-MRXNPFEDSA-N 0 0 319.405 0.540 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccc(F)c1 ZINC000096949063 158124309 /nfs/dbraw/zinc/12/43/09/158124309.db2.gz SDIIQRMZICGEDA-UHFFFAOYSA-N 0 0 323.368 0.929 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000096998588 158124649 /nfs/dbraw/zinc/12/46/49/158124649.db2.gz LORAGNBZWFTKJC-RWMBFGLXSA-N 0 0 318.439 0.826 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CCC(n2cncn2)CC1 ZINC000101797989 158126634 /nfs/dbraw/zinc/12/66/34/158126634.db2.gz VTAPXFWMYYVWRO-GFCCVEGCSA-N 0 0 322.413 0.929 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797734 158129559 /nfs/dbraw/zinc/12/95/59/158129559.db2.gz UXOWAJXHZDZKSX-RISCZKNCSA-N 0 0 311.357 0.489 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC(=O)Nc2cccc(F)c2)C1 ZINC000104798517 158129619 /nfs/dbraw/zinc/12/96/19/158129619.db2.gz WDWBSWSAUKVLGW-CYBMUJFWSA-N 0 0 324.356 0.394 10 0 DCAERN CCOCCOCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811403 158131509 /nfs/dbraw/zinc/13/15/09/158131509.db2.gz FUKRRUNFFNSPQA-UHFFFAOYSA-N 0 0 308.382 0.568 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3nccs3)C2)C1 ZINC000110882328 158138429 /nfs/dbraw/zinc/13/84/29/158138429.db2.gz KCOWRZQRYIEWLC-QWRGUYRKSA-N 0 0 324.406 0.834 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)Cc3cnn(C)c3)CC2)no1 ZINC000110945604 158138469 /nfs/dbraw/zinc/13/84/69/158138469.db2.gz SYXUKAVBEFSESD-UHFFFAOYSA-N 0 0 318.381 0.389 10 0 DCAERN Cc1nn(CC(=O)N[C@H]2CCc3ncnn3C2)c(C)c1Cl ZINC000112647018 158141741 /nfs/dbraw/zinc/14/17/41/158141741.db2.gz WMWFBBOENDCZPG-JTQLQIEISA-N 0 0 308.773 0.876 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000111899658 158142888 /nfs/dbraw/zinc/14/28/88/158142888.db2.gz DETMCTDGCUXLIO-DDTOSNHZSA-N 0 0 303.362 0.816 10 0 DCAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112656537 158143974 /nfs/dbraw/zinc/14/39/74/158143974.db2.gz VPFRJSUGNFVVMP-WDEREUQCSA-N 0 0 309.370 0.480 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000114442814 158153185 /nfs/dbraw/zinc/15/31/85/158153185.db2.gz FQHABKRQHRFBHO-CYBMUJFWSA-N 0 0 315.373 0.824 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)C(N)=O ZINC000114559200 158154463 /nfs/dbraw/zinc/15/44/63/158154463.db2.gz KVZBTRVROCJJJR-GFCCVEGCSA-N 0 0 304.350 0.309 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000114563076 158155144 /nfs/dbraw/zinc/15/51/44/158155144.db2.gz CEJMXGBUBROIAD-DZGCQCFKSA-N 0 0 315.435 0.929 10 0 DCAERN C[C@H]1CC[C@H](N2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)CC1 ZINC000330133775 300069170 /nfs/dbraw/zinc/06/91/70/300069170.db2.gz RJCHAPSNKKHENX-DCAQKATOSA-N 0 0 300.380 0.626 10 0 DCAERN CC(C)N1CC[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000114743047 158156104 /nfs/dbraw/zinc/15/61/04/158156104.db2.gz IEWJOHCAZKKCGI-VXGBXAGGSA-N 0 0 303.428 0.562 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCNC(=O)C(C)C)CC2 ZINC000114914285 158159193 /nfs/dbraw/zinc/15/91/93/158159193.db2.gz FZFCRSMRAASMTQ-NSHDSACASA-N 0 0 322.413 0.227 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCn1cc(C)cn1)CC2 ZINC000114871171 158159342 /nfs/dbraw/zinc/15/93/42/158159342.db2.gz WEEAKNVORZLPMB-GFCCVEGCSA-N 0 0 302.382 0.867 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)cn1 ZINC000116229184 158163888 /nfs/dbraw/zinc/16/38/88/158163888.db2.gz UEOXNHQSFIYYRU-NEPJUHHUSA-N 0 0 305.382 0.527 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000116833966 158167316 /nfs/dbraw/zinc/16/73/16/158167316.db2.gz GLVFNLRPKPUDII-LBPRGKRZSA-N 0 0 308.403 0.939 10 0 DCAERN CC(C)CCNC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892123 158168711 /nfs/dbraw/zinc/16/87/11/158168711.db2.gz KPRFRQJIEYVZMM-RYUDHWBXSA-N 0 0 305.444 0.161 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116955830 158168801 /nfs/dbraw/zinc/16/88/01/158168801.db2.gz KTPSUSMUYMMZRS-GIPWTMENSA-N 0 0 305.444 0.163 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@@H]1C ZINC000117274658 158170123 /nfs/dbraw/zinc/17/01/23/158170123.db2.gz UGJNJTHDTSMHSH-ZDUSSCGKSA-N 0 0 307.394 0.866 10 0 DCAERN CCOCCN1CCN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1C ZINC000117281199 158170681 /nfs/dbraw/zinc/17/06/81/158170681.db2.gz JFKMJHHVMSMIHS-CYBMUJFWSA-N 0 0 313.442 0.718 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC000117773813 158173453 /nfs/dbraw/zinc/17/34/53/158173453.db2.gz MUAZQPAOEXAANG-RISCZKNCSA-N 0 0 324.402 0.703 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)[C@@H](C)COC)CC1 ZINC000117919572 158174611 /nfs/dbraw/zinc/17/46/11/158174611.db2.gz XEAVPIHIYXIFGM-NSHDSACASA-N 0 0 316.427 0.842 10 0 DCAERN CCS(=O)(=O)CCN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000118399018 158177348 /nfs/dbraw/zinc/17/73/48/158177348.db2.gz REXNNLFZEKWMSK-CYBMUJFWSA-N 0 0 304.456 0.606 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118672475 158177882 /nfs/dbraw/zinc/17/78/82/158177882.db2.gz ASDMHHLHJAJZEM-LBPRGKRZSA-N 0 0 305.382 0.478 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000119195819 158183657 /nfs/dbraw/zinc/18/36/57/158183657.db2.gz XLSCHWVLVABXJG-WUHRBBMRSA-N 0 0 308.444 0.727 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCCCCC2)c(C)nn1C ZINC000119260304 158184857 /nfs/dbraw/zinc/18/48/57/158184857.db2.gz GEZPYSGJNOGMQA-UHFFFAOYSA-N 0 0 316.427 0.948 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cc(-n2cccn2)ccn1 ZINC000119354750 158185290 /nfs/dbraw/zinc/18/52/90/158185290.db2.gz DGKILHBUHUSMNT-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)C[C@@H](C)O1 ZINC000119309572 158185576 /nfs/dbraw/zinc/18/55/76/158185576.db2.gz OGINISCMZTTWLS-GHMZBOCLSA-N 0 0 302.400 0.206 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cccc(-n2cccn2)n1 ZINC000119423571 158187371 /nfs/dbraw/zinc/18/73/71/158187371.db2.gz JDWMTRSVHFHTKJ-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000119922522 158190352 /nfs/dbraw/zinc/19/03/52/158190352.db2.gz MZHQHARMJNDDKL-SNVBAGLBSA-N 0 0 308.382 0.861 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000120365927 158197821 /nfs/dbraw/zinc/19/78/21/158197821.db2.gz LYHSEKVRLYQXHP-QWHCGFSZSA-N 0 0 302.330 0.505 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC([C@H](C)O)CC2)C1 ZINC000120448330 158198153 /nfs/dbraw/zinc/19/81/53/158198153.db2.gz KUQRCOLPPMLKJS-AAEUAGOBSA-N 0 0 312.414 0.593 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120514328 158199594 /nfs/dbraw/zinc/19/95/94/158199594.db2.gz BOOUUTOQYBGNEX-LBPRGKRZSA-N 0 0 303.362 0.979 10 0 DCAERN CN1CCN(C(=O)CN2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000121217219 158208890 /nfs/dbraw/zinc/20/88/90/158208890.db2.gz YBXDUWZZUMIICC-OAHLLOKOSA-N 0 0 304.394 0.309 10 0 DCAERN CNC(=O)CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000121309298 158209579 /nfs/dbraw/zinc/20/95/79/158209579.db2.gz KAFHWZOBNUENJP-UHFFFAOYSA-N 0 0 312.753 0.906 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121695840 158214341 /nfs/dbraw/zinc/21/43/41/158214341.db2.gz UPTJZFMYYCQAMY-JTQLQIEISA-N 0 0 317.415 0.088 10 0 DCAERN C[C@@H](CCO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000121819496 158215522 /nfs/dbraw/zinc/21/55/22/158215522.db2.gz VTAUMSGUHQZNCM-RYUDHWBXSA-N 0 0 318.377 0.855 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122042048 158217738 /nfs/dbraw/zinc/21/77/38/158217738.db2.gz UAIRLUUIDQRVBC-VXGBXAGGSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000122385739 158220518 /nfs/dbraw/zinc/22/05/18/158220518.db2.gz CUMXQCYCUBSXMP-UONOGXRCSA-N 0 0 319.471 0.494 10 0 DCAERN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CC(CO)C1 ZINC000122798623 158224439 /nfs/dbraw/zinc/22/44/39/158224439.db2.gz DFMZOXBLHHPGRO-INIZCTEOSA-N 0 0 320.389 0.657 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000123009357 158226144 /nfs/dbraw/zinc/22/61/44/158226144.db2.gz YWFOGZCMDRYDPA-UHFFFAOYSA-N 0 0 315.395 0.653 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C(N)=O)cn1C ZINC000124044100 158236984 /nfs/dbraw/zinc/23/69/84/158236984.db2.gz XATDINSTEKFBOV-JTQLQIEISA-N 0 0 316.365 0.543 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)no1 ZINC000124487996 158242793 /nfs/dbraw/zinc/24/27/93/158242793.db2.gz WUGDMTITKGHSDE-UHFFFAOYSA-N 0 0 310.260 0.702 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000125395305 158255072 /nfs/dbraw/zinc/25/50/72/158255072.db2.gz UTKZVRZPYDXDDB-JQWIXIFHSA-N 0 0 321.352 0.668 10 0 DCAERN CCC[C@](C)(O)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000125693293 158257715 /nfs/dbraw/zinc/25/77/15/158257715.db2.gz FQQQGMQNWSBSLH-HNNXBMFYSA-N 0 0 310.398 0.963 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC000127461365 158272798 /nfs/dbraw/zinc/27/27/98/158272798.db2.gz AXTIUXBERQDXEK-UHFFFAOYSA-N 0 0 308.363 0.849 10 0 DCAERN CCOCCOCC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000128168545 158278743 /nfs/dbraw/zinc/27/87/43/158278743.db2.gz HGZCVTYBWHBBQB-UHFFFAOYSA-N 0 0 305.338 0.962 10 0 DCAERN CN(CCO)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000128328025 158279612 /nfs/dbraw/zinc/27/96/12/158279612.db2.gz OGRWPPAHXDAKID-UHFFFAOYSA-N 0 0 300.355 0.948 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000129860958 158292265 /nfs/dbraw/zinc/29/22/65/158292265.db2.gz JCRMRLPLBFDMSY-GFCCVEGCSA-N 0 0 322.365 0.326 10 0 DCAERN CNS(=O)(=O)c1ccc(CNc2ccnc(C(N)=O)c2)cc1 ZINC000131339012 158302232 /nfs/dbraw/zinc/30/22/32/158302232.db2.gz DGYFJZXLJORBSO-UHFFFAOYSA-N 0 0 320.374 0.701 10 0 DCAERN Cc1nc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(=O)[nH]c1C ZINC000132254758 158309547 /nfs/dbraw/zinc/30/95/47/158309547.db2.gz JUFVSCXTZAGVJD-UHFFFAOYSA-N 0 0 320.393 0.717 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000132396186 158310704 /nfs/dbraw/zinc/31/07/04/158310704.db2.gz RTLNSGHOKYERIF-QWRGUYRKSA-N 0 0 316.423 0.504 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2)o1 ZINC000133404988 158319207 /nfs/dbraw/zinc/31/92/07/158319207.db2.gz VAPBJZNSLNZWDJ-PWSUYJOCSA-N 0 0 301.364 0.921 10 0 DCAERN O=C(Nc1cnc2ccccc2c1)C(=O)N1CCNC(=O)CC1 ZINC000133784451 158321355 /nfs/dbraw/zinc/32/13/55/158321355.db2.gz PTBXEDHGWDXJGU-UHFFFAOYSA-N 0 0 312.329 0.522 10 0 DCAERN CCCc1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000133750922 158322347 /nfs/dbraw/zinc/32/23/47/158322347.db2.gz VPXUVQHZCALLNS-UHFFFAOYSA-N 0 0 303.362 0.926 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CSCC(N)=O)CC2 ZINC000133898982 158323348 /nfs/dbraw/zinc/32/33/48/158323348.db2.gz NVKNOAHZAIELNB-VIFPVBQESA-N 0 0 311.411 0.051 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCO1 ZINC000134190044 158324545 /nfs/dbraw/zinc/32/45/45/158324545.db2.gz NBWSXEPMHXKTMS-QMMMGPOBSA-N 0 0 318.255 0.082 10 0 DCAERN CC(C)[C@@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)C(N)=O ZINC000134488844 158326853 /nfs/dbraw/zinc/32/68/53/158326853.db2.gz VQAUUXJDSQNLPB-DGCLKSJQSA-N 0 0 318.377 0.922 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000134379681 158327037 /nfs/dbraw/zinc/32/70/37/158327037.db2.gz ZPUKLETZRVXCDS-DGCLKSJQSA-N 0 0 310.398 0.753 10 0 DCAERN O=C(Cn1cnnn1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134853241 158330824 /nfs/dbraw/zinc/33/08/24/158330824.db2.gz ZCZAFDNVDUJQBZ-SECBINFHSA-N 0 0 307.745 0.117 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccnc2Br)C1 ZINC000135154616 158333958 /nfs/dbraw/zinc/33/39/58/158333958.db2.gz BLSSMPGLZASMRU-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C(N)=O)C(C)C ZINC000135322522 158334879 /nfs/dbraw/zinc/33/48/79/158334879.db2.gz KTZLKUUEXRDPRU-ZANVPECISA-N 0 0 309.414 0.777 10 0 DCAERN C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1nnc2n1CCCC2 ZINC000135323463 158335182 /nfs/dbraw/zinc/33/51/82/158335182.db2.gz SOSOAVCEUKORJU-JTQLQIEISA-N 0 0 307.398 0.954 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135269041 158335479 /nfs/dbraw/zinc/33/54/79/158335479.db2.gz HJOAOYCDIRLUDB-SNVBAGLBSA-N 0 0 309.370 0.928 10 0 DCAERN COCCOCCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135780668 158340550 /nfs/dbraw/zinc/34/05/50/158340550.db2.gz AOUATPQQEIYGDW-UHFFFAOYSA-N 0 0 307.354 0.812 10 0 DCAERN COCCCNC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136126263 158341144 /nfs/dbraw/zinc/34/11/44/158341144.db2.gz AEKUWROZXUMBEA-ZDUSSCGKSA-N 0 0 321.425 0.945 10 0 DCAERN CN1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc21 ZINC000137719218 158346514 /nfs/dbraw/zinc/34/65/14/158346514.db2.gz AXBTWZRPPYJAMQ-PWSUYJOCSA-N 0 0 316.361 0.324 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)[C@@H](C)O)cc1 ZINC000167156340 158366806 /nfs/dbraw/zinc/36/68/06/158366806.db2.gz LTWSKJOZNBBMRY-SNVBAGLBSA-N 0 0 314.407 0.874 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1N(C)C ZINC000166734506 158366906 /nfs/dbraw/zinc/36/69/06/158366906.db2.gz MSADNOKJJAZTKB-ZDUSSCGKSA-N 0 0 318.377 0.428 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000170715112 158375491 /nfs/dbraw/zinc/37/54/91/158375491.db2.gz QRGKULVWMWFFQS-GHMZBOCLSA-N 0 0 308.334 0.810 10 0 DCAERN CCNC(=O)NC1(C(=O)NC[C@H]2CN(C)CCO2)CCCC1 ZINC000170683705 158375944 /nfs/dbraw/zinc/37/59/44/158375944.db2.gz BFEFSUDYYKPDRH-LBPRGKRZSA-N 0 0 312.414 0.065 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000170828876 158377514 /nfs/dbraw/zinc/37/75/14/158377514.db2.gz NRAHGBZLNOJYCU-ZDUSSCGKSA-N 0 0 302.440 0.898 10 0 DCAERN Cn1cc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000171363136 158381963 /nfs/dbraw/zinc/38/19/63/158381963.db2.gz TYVNNTOIKQBRAN-LBPRGKRZSA-N 0 0 321.381 0.523 10 0 DCAERN O=C(CNC(=O)NCCOc1ccc(F)cc1F)NC1CC1 ZINC000171703931 158386428 /nfs/dbraw/zinc/38/64/28/158386428.db2.gz MPSNETOBEAJAEQ-UHFFFAOYSA-N 0 0 313.304 0.921 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171752205 158386846 /nfs/dbraw/zinc/38/68/46/158386846.db2.gz YFIGCSOOGHZRBQ-WQVCFCJDSA-N 0 0 319.405 0.665 10 0 DCAERN COC[C@H](C)N(C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171925369 158388804 /nfs/dbraw/zinc/38/88/04/158388804.db2.gz BAELECNZBQUPLG-IUCAKERBSA-N 0 0 311.304 0.826 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3[C@H]2C)CCO1 ZINC000172129905 158391198 /nfs/dbraw/zinc/39/11/98/158391198.db2.gz BABCJYSRBLRFOT-KFNAQCHYSA-N 0 0 318.373 0.915 10 0 DCAERN O=C(NC[C@@H]1CCCO1)N1CCC(c2ccnn2CCO)CC1 ZINC000172505299 158394773 /nfs/dbraw/zinc/39/47/73/158394773.db2.gz QTFIXYIGQYSRAW-AWEZNQCLSA-N 0 0 322.409 0.943 10 0 DCAERN CCn1cc(NC(=O)CNC(=O)c2ccccn2)ccc1=O ZINC000172517796 158395075 /nfs/dbraw/zinc/39/50/75/158395075.db2.gz SKNRFZSEMPRDPG-UHFFFAOYSA-N 0 0 300.318 0.632 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccccc1F ZINC000172628384 158397834 /nfs/dbraw/zinc/39/78/34/158397834.db2.gz XMDARADRNHQKEP-SNVBAGLBSA-N 0 0 300.355 0.883 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000172683156 158398257 /nfs/dbraw/zinc/39/82/57/158398257.db2.gz CLWFQDLFRPZFLZ-LBPRGKRZSA-N 0 0 306.366 0.050 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756189 158398848 /nfs/dbraw/zinc/39/88/48/158398848.db2.gz WBVYVHUTXGWPCW-CABCVRRESA-N 0 0 323.437 0.567 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172763949 158399695 /nfs/dbraw/zinc/39/96/95/158399695.db2.gz DROZNNHNVAJSBI-KBPBESRZSA-N 0 0 300.399 0.361 10 0 DCAERN CC(=O)N1CC(NC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000173218639 158404073 /nfs/dbraw/zinc/40/40/73/158404073.db2.gz ZCFTVVIQCOGSTQ-UHFFFAOYSA-N 0 0 316.361 0.278 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173415842 158405631 /nfs/dbraw/zinc/40/56/31/158405631.db2.gz GYOMFVNZVIUIAG-RYUDHWBXSA-N 0 0 316.427 0.343 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000173543308 158407312 /nfs/dbraw/zinc/40/73/12/158407312.db2.gz PJQFICBJIIMZBE-SNVBAGLBSA-N 0 0 316.365 0.676 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC3(C1)OCCO3)CC2 ZINC000174971097 158423392 /nfs/dbraw/zinc/42/33/92/158423392.db2.gz YSOHQNNSIRWFFR-LLVKDONJSA-N 0 0 321.381 0.314 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000175276282 158425103 /nfs/dbraw/zinc/42/51/03/158425103.db2.gz YTCWXXODIOKNMT-GFCCVEGCSA-N 0 0 319.409 0.945 10 0 DCAERN CCc1cc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)[nH]n1 ZINC000175733262 158429448 /nfs/dbraw/zinc/42/94/48/158429448.db2.gz MKUYAAMBHPWHPK-ZDUSSCGKSA-N 0 0 308.382 0.585 10 0 DCAERN Cc1cc(CNC(=O)N2CCN(Cc3ccon3)CC2)on1 ZINC000176178441 158433565 /nfs/dbraw/zinc/43/35/65/158433565.db2.gz JUNMNNGKVMMOMM-UHFFFAOYSA-N 0 0 305.338 0.998 10 0 DCAERN NC(=O)CCNC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000178090531 158453613 /nfs/dbraw/zinc/45/36/13/158453613.db2.gz DRJHECUHDDVSGG-GFCCVEGCSA-N 0 0 310.398 0.342 10 0 DCAERN O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1COCCN1 ZINC000178674091 158461491 /nfs/dbraw/zinc/46/14/91/158461491.db2.gz LTGXXNACJCVBGP-HNNXBMFYSA-N 0 0 300.362 0.536 10 0 DCAERN CNC(=O)[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(C)C ZINC000178727750 158463521 /nfs/dbraw/zinc/46/35/21/158463521.db2.gz NVYFMLWBFYRAKR-CYBMUJFWSA-N 0 0 304.350 0.216 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1sc(C)nc1C)C(C)C ZINC000178925596 158466907 /nfs/dbraw/zinc/46/69/07/158466907.db2.gz BKPRKCVCCQVSDE-VIFPVBQESA-N 0 0 305.425 0.809 10 0 DCAERN CCOCCNC(=O)CN1CCN(c2cccs2)C(=O)C1 ZINC000186120529 158526962 /nfs/dbraw/zinc/52/69/62/158526962.db2.gz ZDCFUMWLNKFCKT-UHFFFAOYSA-N 0 0 311.407 0.549 10 0 DCAERN CNC(=O)CC(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000186511225 158532374 /nfs/dbraw/zinc/53/23/74/158532374.db2.gz INTLQYAQGJZPCS-UHFFFAOYSA-N 0 0 309.341 0.619 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000188482545 158544977 /nfs/dbraw/zinc/54/49/77/158544977.db2.gz KHTGFVQGSVHCAJ-GFCCVEGCSA-N 0 0 305.382 0.311 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000188872273 158547859 /nfs/dbraw/zinc/54/78/59/158547859.db2.gz USBMSQBSDQHXFF-LBPRGKRZSA-N 0 0 309.410 0.810 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000189117046 158550162 /nfs/dbraw/zinc/55/01/62/158550162.db2.gz GKYQAHFJIBUSCT-MQYQWHSLSA-N 0 0 310.394 0.432 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000190991079 158564465 /nfs/dbraw/zinc/56/44/65/158564465.db2.gz RFSNAQBGZAHZQB-SNVBAGLBSA-N 0 0 300.355 0.866 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000191013830 158564804 /nfs/dbraw/zinc/56/48/04/158564804.db2.gz XEPMFGUUIFEEBA-MWLCHTKSSA-N 0 0 308.386 0.587 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000191394092 158567689 /nfs/dbraw/zinc/56/76/89/158567689.db2.gz VUBZAUHJGLBYTA-GFCCVEGCSA-N 0 0 324.425 0.555 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC(=O)N(CC)C2)cc1F ZINC000191508896 158568324 /nfs/dbraw/zinc/56/83/24/158568324.db2.gz JLZMREBKSXBHIP-UHFFFAOYSA-N 0 0 307.325 0.975 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CCc2ccccc21 ZINC000193223684 158580830 /nfs/dbraw/zinc/58/08/30/158580830.db2.gz DNNWATCIHDBOLJ-SQWLQELKSA-N 0 0 302.374 0.814 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000193940879 158590667 /nfs/dbraw/zinc/59/06/67/158590667.db2.gz HERUGZSHWVOCSX-OUJBWJOFSA-N 0 0 306.366 0.975 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000193940908 158591625 /nfs/dbraw/zinc/59/16/25/158591625.db2.gz HERUGZSHWVOCSX-KWBADKCTSA-N 0 0 306.366 0.975 10 0 DCAERN CCc1cccc(OC[C@@H](O)Cn2nc(C(N)=O)ccc2=O)c1 ZINC000195421914 158611260 /nfs/dbraw/zinc/61/12/60/158611260.db2.gz LNSOWRZHKMLTLY-LBPRGKRZSA-N 0 0 317.345 0.345 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000226863932 158618211 /nfs/dbraw/zinc/61/82/11/158618211.db2.gz QHXREVIMFPVPED-NEPJUHHUSA-N 0 0 305.396 0.913 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O ZINC000245648643 158650669 /nfs/dbraw/zinc/65/06/69/158650669.db2.gz CCQSMVNVHRJROL-GHJWDPDVSA-N 0 0 314.426 0.565 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC[C@H](O)C2)c1 ZINC000266767817 158892979 /nfs/dbraw/zinc/89/29/79/158892979.db2.gz RZPQHWLUNSAWCL-AWEZNQCLSA-N 0 0 319.361 0.591 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)c2cccnc12 ZINC000269871025 158908368 /nfs/dbraw/zinc/90/83/68/158908368.db2.gz UIOBXIXFRFSKAB-LBPRGKRZSA-N 0 0 322.386 0.925 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@H]3CCOC3)CCO2)n1 ZINC000276489612 158940814 /nfs/dbraw/zinc/94/08/14/158940814.db2.gz AZTPUZPOFMIYBD-WCQYABFASA-N 0 0 306.366 0.479 10 0 DCAERN O=C(c1cnn2ccncc12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000314652071 158999207 /nfs/dbraw/zinc/99/92/07/158999207.db2.gz XFXCTOVHEVTYCE-LLVKDONJSA-N 0 0 300.240 0.869 10 0 DCAERN C[C@H](C(=O)N1CCN[C@H](c2cccnc2)C1)N1CCN(C)CC1 ZINC000328642396 159016509 /nfs/dbraw/zinc/01/65/09/159016509.db2.gz DVDFDMUSWHMCNS-ZBFHGGJFSA-N 0 0 317.437 0.190 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CCN[C@@H](c2cccnc2)C1 ZINC000328640676 159016734 /nfs/dbraw/zinc/01/67/34/159016734.db2.gz CUZXOJVCICYTID-CQSZACIVSA-N 0 0 313.361 0.847 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000328661711 159018491 /nfs/dbraw/zinc/01/84/91/159018491.db2.gz AJYAEGYHCTVJHC-GFCCVEGCSA-N 0 0 321.768 0.810 10 0 DCAERN CCCc1cc(=O)n2nc(N3CC(n4ccnn4)C3)sc2n1 ZINC000328726857 159025148 /nfs/dbraw/zinc/02/51/48/159025148.db2.gz ZXEVMIYYANQNRT-UHFFFAOYSA-N 0 0 317.378 0.756 10 0 DCAERN CN(C(=O)C[C@H]1CCCCNC1=O)[C@H]1CCS(=O)(=O)C1 ZINC000328745718 159025549 /nfs/dbraw/zinc/02/55/49/159025549.db2.gz AGUANYAKWIBQMH-MNOVXSKESA-N 0 0 302.396 0.779 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CC[C@H](c2nccn2C)C1 ZINC000328787316 159029516 /nfs/dbraw/zinc/02/95/16/159029516.db2.gz OXEPHMFRFYNULV-NSHDSACASA-N 0 0 309.395 0.815 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC(O)(C(F)(F)F)CC1 ZINC000408447956 304422191 /nfs/dbraw/zinc/42/21/91/304422191.db2.gz LNXALHCNEMSFAO-SECBINFHSA-N 0 0 308.300 0.961 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)C[C@H](C)O1 ZINC000328824612 159032625 /nfs/dbraw/zinc/03/26/25/159032625.db2.gz RPTWCDVREQPGFA-IUCAKERBSA-N 0 0 303.322 0.862 10 0 DCAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C)on1 ZINC000328853582 159034759 /nfs/dbraw/zinc/03/47/59/159034759.db2.gz WDACKNXXGSNIRG-LLVKDONJSA-N 0 0 322.408 0.322 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877314 159037283 /nfs/dbraw/zinc/03/72/83/159037283.db2.gz KNFKPVOQQSWUKV-ZIAGYGMSSA-N 0 0 318.439 0.148 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000328889117 159038065 /nfs/dbraw/zinc/03/80/65/159038065.db2.gz QPMQCYNDXKGNBG-ZJUUUORDSA-N 0 0 303.384 0.276 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1C1CC1 ZINC000328903269 159038691 /nfs/dbraw/zinc/03/86/91/159038691.db2.gz HQYDKMZWIQTVEZ-HUUCEWRRSA-N 0 0 304.394 0.843 10 0 DCAERN O=C(CCc1cncc(F)c1)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000328912527 159040893 /nfs/dbraw/zinc/04/08/93/159040893.db2.gz PBNUZYHMJOOZMW-GFCCVEGCSA-N 0 0 305.313 0.872 10 0 DCAERN Cc1noc([C@@H]2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000328950831 159045502 /nfs/dbraw/zinc/04/55/02/159045502.db2.gz CKCBOUFCMTVXJM-NWDGAFQWSA-N 0 0 321.381 0.941 10 0 DCAERN O=C(c1ncncc1Cl)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000328982011 159049320 /nfs/dbraw/zinc/04/93/20/159049320.db2.gz YJUXSMJBYYBTDZ-CYBMUJFWSA-N 0 0 322.756 0.389 10 0 DCAERN Cc1c(C(=O)N2CCC[C@](F)(CO)C2)nnn1-c1ccn(C)n1 ZINC000329116557 159064111 /nfs/dbraw/zinc/06/41/11/159064111.db2.gz UCFIVWVWRRQBDB-CQSZACIVSA-N 0 0 322.344 0.246 10 0 DCAERN CC1(C)C[S@](=O)CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000329168787 159069436 /nfs/dbraw/zinc/06/94/36/159069436.db2.gz IXBBHXFOAUVLQM-WSVYEEACSA-N 0 0 315.439 0.603 10 0 DCAERN CC1(C)CN(S(=O)(=O)NCCC2CCOCC2)CCO1 ZINC000329229221 159074801 /nfs/dbraw/zinc/07/48/01/159074801.db2.gz JEVBTTJHUPHYSF-UHFFFAOYSA-N 0 0 306.428 0.748 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)CCc2ncc[nH]2)CC1 ZINC000329275373 159078080 /nfs/dbraw/zinc/07/80/80/159078080.db2.gz JUWYJRKTMQMWLE-CYBMUJFWSA-N 0 0 319.409 0.107 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC[C@@H]2c2noc(C)n2)CC1=O ZINC000329282807 159079335 /nfs/dbraw/zinc/07/93/35/159079335.db2.gz KYQLPJAUJPMTSA-VXGBXAGGSA-N 0 0 322.365 0.536 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCC[C@H]2c2noc(C)n2)CC1=O ZINC000329282804 159079529 /nfs/dbraw/zinc/07/95/29/159079529.db2.gz KYQLPJAUJPMTSA-RYUDHWBXSA-N 0 0 322.365 0.536 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)OC[C@H]2C)nn1 ZINC000329328686 159082828 /nfs/dbraw/zinc/08/28/28/159082828.db2.gz KOTKPCMUSXGPOH-LYIQGSDWSA-N 0 0 310.354 0.114 10 0 DCAERN c1c(-c2nc([C@H]3CN4CCN3CC4)no2)nn2c1OCCC2 ZINC000329368710 159085866 /nfs/dbraw/zinc/08/58/66/159085866.db2.gz AFONVRWGYXIHLE-LLVKDONJSA-N 0 0 302.338 0.388 10 0 DCAERN c1cn2c(n1)C[C@@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329371272 159086174 /nfs/dbraw/zinc/08/61/74/159086174.db2.gz AWRKAKFMDFIXCT-NWDGAFQWSA-N 0 0 300.366 0.668 10 0 DCAERN O=C(c1nc(C2CC2)n2ccccc12)N1C[C@@H](O)C[C@@H]1CO ZINC000329373530 159086562 /nfs/dbraw/zinc/08/65/62/159086562.db2.gz NBZRQGQVMKERGR-NEPJUHHUSA-N 0 0 301.346 0.779 10 0 DCAERN CC(C)(C(=O)N1CCC[C@@](F)(CO)C1)S(=O)(=O)C1CC1 ZINC000329432740 159092530 /nfs/dbraw/zinc/09/25/30/159092530.db2.gz IEIJBDFXGVDTMQ-ZDUSSCGKSA-N 0 0 307.387 0.665 10 0 DCAERN Cn1cc(C2CCN(C(=O)Cn3cccnc3=O)CC2)cn1 ZINC000329473908 159096301 /nfs/dbraw/zinc/09/63/01/159096301.db2.gz ZVUQTHXZPLBJDH-UHFFFAOYSA-N 0 0 301.350 0.383 10 0 DCAERN CN(CC(=O)N1CCN2C(=O)N=NC2C1)Cc1ccccc1 ZINC000329503640 159097813 /nfs/dbraw/zinc/09/78/13/159097813.db2.gz ATDIEMQAPMDAIW-UHFFFAOYSA-N 0 0 301.350 0.458 10 0 DCAERN c1[nH]nc([C@H]2CCOC2)c1-c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329579494 159104136 /nfs/dbraw/zinc/10/41/36/159104136.db2.gz KTZHKOPGBRJAIA-JQWIXIFHSA-N 0 0 316.365 0.636 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NCCN2CCOC(C)(C)C2)CCO1 ZINC000329581313 159104930 /nfs/dbraw/zinc/10/49/30/159104930.db2.gz LFZXSLQZCZYSPL-QWHCGFSZSA-N 0 0 320.455 0.584 10 0 DCAERN C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000329606871 159106480 /nfs/dbraw/zinc/10/64/80/159106480.db2.gz BHTNMQHQWIBDRO-STQMWFEESA-N 0 0 303.428 0.122 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)=O)C[C@@H]1N1CCOCC1 ZINC000329757029 159117095 /nfs/dbraw/zinc/11/70/95/159117095.db2.gz ZBUVYAFJCADDQZ-PMPSAXMXSA-N 0 0 323.437 0.567 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](n3cccn3)C2)O1 ZINC000329757043 159117258 /nfs/dbraw/zinc/11/72/58/159117258.db2.gz ZCDGSYXLOIMKRA-UPJWGTAASA-N 0 0 306.366 0.292 10 0 DCAERN Cn1[nH]c(CN2C(=O)N[C@](C)(c3cccs3)C2=O)nc1=O ZINC000329792737 159119908 /nfs/dbraw/zinc/11/99/08/159119908.db2.gz VGKAUXUUMVAQOJ-GFCCVEGCSA-N 0 0 307.335 0.342 10 0 DCAERN O=C(c1cn2ccnc2s1)N1CCOC[C@H]1c1ncon1 ZINC000329808343 159120720 /nfs/dbraw/zinc/12/07/20/159120720.db2.gz PICMGDFPMZYJHS-QMMMGPOBSA-N 0 0 305.319 0.993 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000329872891 159125416 /nfs/dbraw/zinc/12/54/16/159125416.db2.gz DKFXVBPLNUBJSN-IINYFYTJSA-N 0 0 311.407 0.877 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCCNC(=O)[C@@H]3C)nc2n1 ZINC000329924728 159129616 /nfs/dbraw/zinc/12/96/16/159129616.db2.gz HTTDJZULMDAFDD-NSHDSACASA-N 0 0 316.365 0.861 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329935273 159129964 /nfs/dbraw/zinc/12/99/64/159129964.db2.gz QXBDBVLPYMRSIS-GJZGRUSLSA-N 0 0 323.437 0.711 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCn2ncnc2C1 ZINC000329960425 159132105 /nfs/dbraw/zinc/13/21/05/159132105.db2.gz NWJPQZNNLIOZTC-WDEREUQCSA-N 0 0 323.422 0.568 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000330012663 159135169 /nfs/dbraw/zinc/13/51/69/159135169.db2.gz KXVAOYODORTXHG-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)C3(O)CCOCC3)C2)no1 ZINC000330007675 159135313 /nfs/dbraw/zinc/13/53/13/159135313.db2.gz GABYVWQDHVKXDS-LBPRGKRZSA-N 0 0 309.366 0.701 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3(O)CCOCC3)CCO2)n1 ZINC000330006236 159135325 /nfs/dbraw/zinc/13/53/25/159135325.db2.gz DVSZYQSXICNIGK-AWEZNQCLSA-N 0 0 323.393 0.269 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)c2cn([C@@H]3CCOC3)nn2)cn1 ZINC000330034039 159137063 /nfs/dbraw/zinc/13/70/63/159137063.db2.gz ASEGOVYDAVIIER-TZMCWYRMSA-N 0 0 316.365 0.950 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000330104978 159142284 /nfs/dbraw/zinc/14/22/84/159142284.db2.gz JIALIPZCAZIMNN-OFQRWUPVSA-N 0 0 315.373 0.992 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@H](C)[S@@]1=O ZINC000330128285 159144147 /nfs/dbraw/zinc/14/41/47/159144147.db2.gz NLRPQAAUXNJTPW-OSCVLKFXSA-N 0 0 315.439 0.602 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCO1 ZINC000330208641 159150196 /nfs/dbraw/zinc/15/01/96/159150196.db2.gz GXEJMCMWSDXZMZ-YRGRVCCFSA-N 0 0 309.366 0.372 10 0 DCAERN CCOc1oc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)nc1C ZINC000330205425 159150270 /nfs/dbraw/zinc/15/02/70/159150270.db2.gz CMEPUGIELMJISQ-SECBINFHSA-N 0 0 316.379 0.888 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000330207333 159150281 /nfs/dbraw/zinc/15/02/81/159150281.db2.gz FYYRFBPQTLJFEK-MNOVXSKESA-N 0 0 302.400 0.798 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@]3(C)CCCNC3=O)CCO2)[nH]1 ZINC000330230276 159152445 /nfs/dbraw/zinc/15/24/45/159152445.db2.gz DJTOAGMQHZMAEB-QMTHXVAHSA-N 0 0 307.354 0.770 10 0 DCAERN O=C(N1CCC(Oc2cnccn2)CC1)C1(O)CCOCC1 ZINC000330303350 159158078 /nfs/dbraw/zinc/15/80/78/159158078.db2.gz JWSWFUJGSUSVIL-UHFFFAOYSA-N 0 0 307.350 0.388 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000330302051 159158486 /nfs/dbraw/zinc/15/84/86/159158486.db2.gz OBNUSPUIGUBCTD-ZDUSSCGKSA-N 0 0 303.362 0.930 10 0 DCAERN Cc1c([C@H]2[C@H](C[NH2+]Cc3cc[nH]n3)CC(=O)N2C)cnn1C ZINC000330309653 159159044 /nfs/dbraw/zinc/15/90/44/159159044.db2.gz UIFSLBWDCJUCDN-XHDPSFHLSA-N 0 0 302.382 0.761 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCC(=O)N2CCC2)CC(=O)N1C ZINC000330358287 159162067 /nfs/dbraw/zinc/16/20/67/159162067.db2.gz UQWLEELSNVIHHJ-MLGOLLRUSA-N 0 0 319.409 0.131 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)[C@]1(O)CCSC1 ZINC000332797101 159213364 /nfs/dbraw/zinc/21/33/64/159213364.db2.gz VDDJNDPUFIOMNB-ABAIWWIYSA-N 0 0 321.402 0.280 10 0 DCAERN CN1CC[C@@H](C(=O)NC[C@H]2CCCN2c2cccnn2)CC1=O ZINC000332891828 159216455 /nfs/dbraw/zinc/21/64/55/159216455.db2.gz VNWOWUMAOVIHAG-CHWSQXEVSA-N 0 0 317.393 0.430 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000332944255 159217790 /nfs/dbraw/zinc/21/77/90/159217790.db2.gz VSZKOHSPXPVNJO-BLLLJJGKSA-N 0 0 311.426 0.349 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000348259355 159236791 /nfs/dbraw/zinc/23/67/91/159236791.db2.gz LLIMGMCTXTZGDL-OASPWFOLSA-N 0 0 310.300 0.878 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)NC(C)(C)C3=O)C2=O)n(C)n1 ZINC000348955194 159241325 /nfs/dbraw/zinc/24/13/25/159241325.db2.gz PUBGDQPZXHHIGY-JTQLQIEISA-N 0 0 319.365 0.554 10 0 DCAERN Cn1cc(S(=O)(=O)NCC(=O)N2CCCC23CCC3)cn1 ZINC000366776519 159286061 /nfs/dbraw/zinc/28/60/61/159286061.db2.gz MLLJSOTZJDGPJP-UHFFFAOYSA-N 0 0 312.395 0.244 10 0 DCAERN COCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000366940618 159299119 /nfs/dbraw/zinc/29/91/19/159299119.db2.gz JTQBDXLTCMJDGY-GFCCVEGCSA-N 0 0 322.361 0.464 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000367082729 159311212 /nfs/dbraw/zinc/31/12/12/159311212.db2.gz AGQQXNQXPFPNRK-KBPBESRZSA-N 0 0 320.418 0.476 10 0 DCAERN C[C@H]1CCOCCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000367616254 159347653 /nfs/dbraw/zinc/34/76/53/159347653.db2.gz FWIZBEZBLWCEPI-VHSXEESVSA-N 0 0 323.315 0.970 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@@H]2C)o1 ZINC000367660696 159349507 /nfs/dbraw/zinc/34/95/07/159349507.db2.gz NNNKSZRCZKTNMO-VIFPVBQESA-N 0 0 302.352 0.439 10 0 DCAERN O=C(C=C1CCC1)N[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000367985581 159367898 /nfs/dbraw/zinc/36/78/98/159367898.db2.gz WDBHYWSAZJIIRA-HNNXBMFYSA-N 0 0 321.421 0.536 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)CCO1 ZINC000368282781 159385295 /nfs/dbraw/zinc/38/52/95/159385295.db2.gz GXJIQNHHTLNMQM-KFWWJZLASA-N 0 0 311.426 0.916 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000368309819 159386543 /nfs/dbraw/zinc/38/65/43/159386543.db2.gz HUFDWMGJAHXSNK-OAHLLOKOSA-N 0 0 321.425 0.616 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000368309818 159386703 /nfs/dbraw/zinc/38/67/03/159386703.db2.gz HUFDWMGJAHXSNK-HNNXBMFYSA-N 0 0 321.425 0.616 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CC(n3ccnn3)C2)NC1=O ZINC000368605693 159405547 /nfs/dbraw/zinc/40/55/47/159405547.db2.gz UIKYMQPWZRCDCS-SECBINFHSA-N 0 0 313.317 0.695 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)N1CCSC(C)(C)CC1 ZINC000369313756 159450267 /nfs/dbraw/zinc/45/02/67/159450267.db2.gz GFWRKTPZFPUZQO-GFCCVEGCSA-N 0 0 300.424 0.978 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCO2)N1CCN2CCOC[C@H]2C1 ZINC000371956523 159595314 /nfs/dbraw/zinc/59/53/14/159595314.db2.gz XQFJEKWFKZCARH-CYBMUJFWSA-N 0 0 324.402 0.327 10 0 DCAERN O=C(c1cccc(-n2cccn2)n1)N1CCN2CCOC[C@H]2C1 ZINC000374969860 159763789 /nfs/dbraw/zinc/76/37/89/159763789.db2.gz MKIPKSLCRUUDAU-CYBMUJFWSA-N 0 0 313.361 0.424 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(c2nc([C@@H](C)OC)ns2)C1 ZINC000375699139 159811842 /nfs/dbraw/zinc/81/18/42/159811842.db2.gz WRWRYNIZGWCTLE-BDAKNGLRSA-N 0 0 320.440 0.764 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H](CO)O1 ZINC000407951024 159994937 /nfs/dbraw/zinc/99/49/37/159994937.db2.gz OQXJVOXTVZTAOO-GMTAPVOTSA-N 0 0 310.316 0.621 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(=O)n(C)c3ccccc23)CC(=O)N1C ZINC000407972298 160000250 /nfs/dbraw/zinc/00/02/50/160000250.db2.gz SPJJVEWFRYGIAZ-LLVKDONJSA-N 0 0 313.357 0.841 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000407974758 160000597 /nfs/dbraw/zinc/00/05/97/160000597.db2.gz UWVRYJMBYSRWQH-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3c(n2)CCCC3)C[C@@H]1C ZINC000407976407 160000958 /nfs/dbraw/zinc/00/09/58/160000958.db2.gz ZQUVFOOQZJNISM-STQMWFEESA-N 0 0 306.410 0.747 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000407982994 160002294 /nfs/dbraw/zinc/00/22/94/160002294.db2.gz ARVXEGYRYAGHJB-MNOVXSKESA-N 0 0 310.398 0.354 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2CCC(=O)[C@H](C)C2)CC1 ZINC000407986310 160003171 /nfs/dbraw/zinc/00/31/71/160003171.db2.gz SPJRPBLVEDEDDL-NEPJUHHUSA-N 0 0 310.394 0.697 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000407988074 160003779 /nfs/dbraw/zinc/00/37/79/160003779.db2.gz GBEZCVHFLMEELH-UONOGXRCSA-N 0 0 311.426 0.424 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000407991168 160005362 /nfs/dbraw/zinc/00/53/62/160005362.db2.gz SRXZBHBQMOJEOW-AWEZNQCLSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCOCC1 ZINC000407995542 160005897 /nfs/dbraw/zinc/00/58/97/160005897.db2.gz HYXSIBVORVLDMF-WCQYABFASA-N 0 0 318.439 0.589 10 0 DCAERN Cc1nc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c[nH]1 ZINC000407994227 160006002 /nfs/dbraw/zinc/00/60/02/160006002.db2.gz ARMVYGYLRJGBPZ-JTQLQIEISA-N 0 0 300.384 0.260 10 0 DCAERN Cc1c(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1C ZINC000408007187 160009650 /nfs/dbraw/zinc/00/96/50/160009650.db2.gz GMCXMDQVKRJPLP-VIFPVBQESA-N 0 0 300.384 0.057 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)C(=O)N1CCCC[C@H]1C ZINC000408008797 160009684 /nfs/dbraw/zinc/00/96/84/160009684.db2.gz GDIOLQUEECVYIU-RNJOBUHISA-N 0 0 309.410 0.807 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F)N1CCOCC1 ZINC000408011611 160010597 /nfs/dbraw/zinc/01/05/97/160010597.db2.gz YUBFIRWHBCGBOT-GMTAPVOTSA-N 0 0 310.316 0.621 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408014608 160010991 /nfs/dbraw/zinc/01/09/91/160010991.db2.gz QRIPPCNAVXKAJM-JTQLQIEISA-N 0 0 319.427 0.072 10 0 DCAERN CC[C@@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@@H]1O ZINC000408018412 160013366 /nfs/dbraw/zinc/01/33/66/160013366.db2.gz RJIPJDGIHLTTPD-MFKMUULPSA-N 0 0 301.346 0.776 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408022108 160013950 /nfs/dbraw/zinc/01/39/50/160013950.db2.gz RCXOBYGHMGUEHZ-GZMMTYOYSA-N 0 0 306.366 0.332 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000408025701 160014502 /nfs/dbraw/zinc/01/45/02/160014502.db2.gz CZIWZVRIWOUONE-IUCAKERBSA-N 0 0 319.408 0.023 10 0 DCAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)N(C)CC(C)C)n1 ZINC000408028065 160015576 /nfs/dbraw/zinc/01/55/76/160015576.db2.gz NXXRZFLEZQUOQY-NSHDSACASA-N 0 0 318.399 0.584 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)O1 ZINC000408035306 160018582 /nfs/dbraw/zinc/01/85/82/160018582.db2.gz KKAUVMNRZUDLIY-AGIUHOORSA-N 0 0 320.393 0.433 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000408041807 160020454 /nfs/dbraw/zinc/02/04/54/160020454.db2.gz IJXXEUKHYBBANW-HUUCEWRRSA-N 0 0 306.362 0.623 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000408041810 160020590 /nfs/dbraw/zinc/02/05/90/160020590.db2.gz IJXXEUKHYBBANW-LSDHHAIUSA-N 0 0 306.362 0.623 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000408044231 160021786 /nfs/dbraw/zinc/02/17/86/160021786.db2.gz NBJKNMYGGICLDJ-STQMWFEESA-N 0 0 309.410 0.714 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000408048688 160022774 /nfs/dbraw/zinc/02/27/74/160022774.db2.gz ZUZKUFUSGIVJAX-CBBWQLFWSA-N 0 0 319.405 0.762 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000408050992 160023558 /nfs/dbraw/zinc/02/35/58/160023558.db2.gz MJRIQVKLOYYFLD-ZDUSSCGKSA-N 0 0 309.410 0.713 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408051663 160023658 /nfs/dbraw/zinc/02/36/58/160023658.db2.gz LHFZNOHQGFZDQS-UONOGXRCSA-N 0 0 309.410 0.762 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408052724 160024382 /nfs/dbraw/zinc/02/43/82/160024382.db2.gz CTSFZEOOYUYDES-VSBTWAGUSA-N 0 0 312.410 0.536 10 0 DCAERN COC1(CNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)CCCCC1 ZINC000408057562 160024956 /nfs/dbraw/zinc/02/49/56/160024956.db2.gz WFUOBQOVDZZJFW-MRXNPFEDSA-N 0 0 312.410 0.825 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408056713 160025035 /nfs/dbraw/zinc/02/50/35/160025035.db2.gz KRGJCORGJPDSIT-HZPDHXFCSA-N 0 0 312.410 0.371 10 0 DCAERN CN1CCc2ccc(C(=O)N3CCC[C@@](O)(C(N)=O)C3)cc21 ZINC000408057309 160025050 /nfs/dbraw/zinc/02/50/50/160025050.db2.gz SHUMNALXVSTARJ-INIZCTEOSA-N 0 0 303.362 0.131 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CO1 ZINC000408055165 160025312 /nfs/dbraw/zinc/02/53/12/160025312.db2.gz WKKLHEFWALIPMN-XQHKEYJVSA-N 0 0 314.357 0.209 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)[C@@H](C)CO1 ZINC000408056335 160025370 /nfs/dbraw/zinc/02/53/70/160025370.db2.gz GFGFSIIDNHLDIQ-WDEREUQCSA-N 0 0 302.400 0.206 10 0 DCAERN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)N1CCC1 ZINC000408059675 160025887 /nfs/dbraw/zinc/02/58/87/160025887.db2.gz BTHVQAZIQNBUAK-UHFFFAOYSA-N 0 0 305.381 0.421 10 0 DCAERN CC(C)[C@H]1C[C@@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CCO1 ZINC000408061764 160026297 /nfs/dbraw/zinc/02/62/97/160026297.db2.gz GBDXSIPFLWITFY-COMQUAJESA-N 0 0 312.410 0.929 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1=O ZINC000408067166 160027599 /nfs/dbraw/zinc/02/75/99/160027599.db2.gz JCRJKNNWUUPXCY-VIFPVBQESA-N 0 0 304.306 0.494 10 0 DCAERN Cc1cnn(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000408071248 160028458 /nfs/dbraw/zinc/02/84/58/160028458.db2.gz BCLDNCKGORIZSG-ZDUSSCGKSA-N 0 0 322.434 0.758 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000408076432 160030255 /nfs/dbraw/zinc/03/02/55/160030255.db2.gz IRQWZNABYCJEHL-DABQJJPHSA-N 0 0 321.425 0.961 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NC1CCS(=O)CC1 ZINC000408087898 160032276 /nfs/dbraw/zinc/03/22/76/160032276.db2.gz GDCTZYXNKXEVOB-MRRLMSGDSA-N 0 0 318.464 0.715 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)Cn2ncc(=O)c3ccccc32)CCN1C ZINC000408085512 160032598 /nfs/dbraw/zinc/03/25/98/160032598.db2.gz AJDSTISAICZCAE-OLZOCXBDSA-N 0 0 314.389 0.948 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c(C)o1 ZINC000408089973 160033408 /nfs/dbraw/zinc/03/34/08/160033408.db2.gz PGXRANWMRQMDFO-PSASIEDQSA-N 0 0 317.363 0.766 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H]1O ZINC000408093695 160034365 /nfs/dbraw/zinc/03/43/65/160034365.db2.gz WISKTFDTUHLEEC-ZWNOBZJWSA-N 0 0 323.378 0.054 10 0 DCAERN CC[C@H]1CC[C@H](C)N1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408091628 160034432 /nfs/dbraw/zinc/03/44/32/160034432.db2.gz VSGPSWOJZNVLJR-QWRGUYRKSA-N 0 0 303.366 0.920 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408094290 160034658 /nfs/dbraw/zinc/03/46/58/160034658.db2.gz RWRTVACNICCDLV-IONNQARKSA-N 0 0 318.420 0.547 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)o1 ZINC000408098254 160034978 /nfs/dbraw/zinc/03/49/78/160034978.db2.gz SNGRWCPSZNSRHI-AAEUAGOBSA-N 0 0 314.407 0.929 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(Cc2ccco2)CC1 ZINC000408099040 160035995 /nfs/dbraw/zinc/03/59/95/160035995.db2.gz JETAUJAYFZJAEM-AWEZNQCLSA-N 0 0 323.418 0.845 10 0 DCAERN Cc1sc2ncc(C(=O)N3CCO[C@@H](CO)C3)c(=O)n2c1C ZINC000408104199 160036208 /nfs/dbraw/zinc/03/62/08/160036208.db2.gz DQBKTYYGWSWOGA-SNVBAGLBSA-N 0 0 323.374 0.206 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)s1 ZINC000408103815 160036377 /nfs/dbraw/zinc/03/63/77/160036377.db2.gz NNVLZWKRZNJAAP-VIFPVBQESA-N 0 0 324.449 0.498 10 0 DCAERN Cc1ccc2c(c1)CN(C(=O)CS(=O)(=O)N(C)C)CCO2 ZINC000408105465 160037406 /nfs/dbraw/zinc/03/74/06/160037406.db2.gz HGMVONWEVRXZDO-UHFFFAOYSA-N 0 0 312.391 0.607 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1 ZINC000408111377 160038178 /nfs/dbraw/zinc/03/81/78/160038178.db2.gz AQBWLVBRAUTPKD-NSHDSACASA-N 0 0 311.407 0.371 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000408112344 160038786 /nfs/dbraw/zinc/03/87/86/160038786.db2.gz KALUDFNDWWAMIF-BXUZGUMPSA-N 0 0 303.362 0.939 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@@H]1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408117621 160040024 /nfs/dbraw/zinc/04/00/24/160040024.db2.gz FQWWZZTYZUIGCI-MGPQQGTHSA-N 0 0 312.410 0.801 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@](F)(CO)C1 ZINC000408119570 160040506 /nfs/dbraw/zinc/04/05/06/160040506.db2.gz LFDUFRQBVNUHNV-IUODEOHRSA-N 0 0 300.374 0.956 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000408127525 160042628 /nfs/dbraw/zinc/04/26/28/160042628.db2.gz FMZZDEGIPSBFFQ-LBPRGKRZSA-N 0 0 318.377 0.464 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408126934 160042676 /nfs/dbraw/zinc/04/26/76/160042676.db2.gz CBXSMSZSHMKORW-LSDHHAIUSA-N 0 0 321.421 0.858 10 0 DCAERN NC(=O)C1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000408126764 160042997 /nfs/dbraw/zinc/04/29/97/160042997.db2.gz ROROBTCXGWYQGL-LLVKDONJSA-N 0 0 308.407 0.836 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408133374 160044291 /nfs/dbraw/zinc/04/42/91/160044291.db2.gz NTWGQLYSPRZVQF-QWHCGFSZSA-N 0 0 317.455 0.810 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2 ZINC000408146174 160047862 /nfs/dbraw/zinc/04/78/62/160047862.db2.gz YDELPOGLCHGZOL-SNVBAGLBSA-N 0 0 313.423 0.861 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CCO1 ZINC000408149304 160048690 /nfs/dbraw/zinc/04/86/90/160048690.db2.gz KTJIABXAFYYPML-MNOVXSKESA-N 0 0 314.382 0.916 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CNC(=O)C1)C2 ZINC000408156699 160049241 /nfs/dbraw/zinc/04/92/41/160049241.db2.gz AYTKVVWYRBSQOG-GHMZBOCLSA-N 0 0 304.394 0.748 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N1 ZINC000408166973 160051367 /nfs/dbraw/zinc/05/13/67/160051367.db2.gz VLYFLZYBQMSLDW-STQMWFEESA-N 0 0 302.378 0.645 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC000408174014 160052759 /nfs/dbraw/zinc/05/27/59/160052759.db2.gz OYWWOPNFOOZVRW-UHFFFAOYSA-N 0 0 300.384 0.134 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCOCC3(CC3)C2)o1 ZINC000408176826 160053696 /nfs/dbraw/zinc/05/36/96/160053696.db2.gz JLPSBYLUXXUQQR-UHFFFAOYSA-N 0 0 300.336 0.180 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(CCCO)CC1 ZINC000408178274 160053768 /nfs/dbraw/zinc/05/37/68/160053768.db2.gz WSZCLSWRJXSYBF-CYBMUJFWSA-N 0 0 300.424 0.919 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408179857 160054433 /nfs/dbraw/zinc/05/44/33/160054433.db2.gz JLEUSQSSYRJZEF-JTQLQIEISA-N 0 0 316.383 0.125 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000408183776 160054500 /nfs/dbraw/zinc/05/45/00/160054500.db2.gz UEYFKARSQATKAY-KBPBESRZSA-N 0 0 319.471 0.758 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000408186878 160055123 /nfs/dbraw/zinc/05/51/23/160055123.db2.gz XNIWIVLTTROPPK-QWRGUYRKSA-N 0 0 306.453 0.764 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408185497 160055339 /nfs/dbraw/zinc/05/53/39/160055339.db2.gz DBBDCDUSOLTPPC-SCRDCRAPSA-N 0 0 302.378 0.920 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1ncon1 ZINC000408184857 160055353 /nfs/dbraw/zinc/05/53/53/160055353.db2.gz FFGGESWYPTUIIB-VIFPVBQESA-N 0 0 302.356 0.015 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000408197748 160057489 /nfs/dbraw/zinc/05/74/89/160057489.db2.gz MROJZPAYFOQDRS-NSHDSACASA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)CC(=O)N1 ZINC000408200691 160057980 /nfs/dbraw/zinc/05/79/80/160057980.db2.gz DOBMLBCPICSMJE-OUAUKWLOSA-N 0 0 321.343 0.996 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCSC[C@H]2CCO)CC(=O)N1 ZINC000408205755 160059911 /nfs/dbraw/zinc/05/99/11/160059911.db2.gz YXCSLORQLGKMKV-QJPTWQEYSA-N 0 0 300.424 0.618 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1O ZINC000408211117 160061120 /nfs/dbraw/zinc/06/11/20/160061120.db2.gz MSUCUDSMUDJJQI-MNOVXSKESA-N 0 0 311.382 0.184 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000408213482 160061445 /nfs/dbraw/zinc/06/14/45/160061445.db2.gz HOMZOTBKZDEFMH-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[S@]1=O ZINC000408211876 160061530 /nfs/dbraw/zinc/06/15/30/160061530.db2.gz RQXADTCZWCJWDR-WIUDPPPLSA-N 0 0 305.403 0.886 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2[C@@H](C)COC[C@@H]2C)C1 ZINC000408218575 160062121 /nfs/dbraw/zinc/06/21/21/160062121.db2.gz SSTVGRZAJMLAQD-AVGNSLFASA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)CCC1 ZINC000408234736 160065464 /nfs/dbraw/zinc/06/54/64/160065464.db2.gz HCKKIQFWGCIJQS-GHMZBOCLSA-N 0 0 305.396 0.362 10 0 DCAERN CN(C)c1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(=O)[nH]1 ZINC000408242431 160067925 /nfs/dbraw/zinc/06/79/25/160067925.db2.gz UMEPXBATJOKGPX-KOLCDFICSA-N 0 0 319.365 0.131 10 0 DCAERN Cc1nc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)no1 ZINC000408245327 160068458 /nfs/dbraw/zinc/06/84/58/160068458.db2.gz UUJPSVJJCNNZOA-UHFFFAOYSA-N 0 0 302.356 0.097 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)c2ccc(=O)n(C)n2)CC1(C)C ZINC000408246724 160068471 /nfs/dbraw/zinc/06/84/71/160068471.db2.gz KZXXCDSGWNAUMD-UHFFFAOYSA-N 0 0 306.366 0.252 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000408245587 160068630 /nfs/dbraw/zinc/06/86/30/160068630.db2.gz HAJZRYXPJPYNEY-CJNGLKHVSA-N 0 0 307.394 0.374 10 0 DCAERN CC1(C)CN(C(=O)c2cnn3cccnc23)CCS1(=O)=O ZINC000408248715 160069069 /nfs/dbraw/zinc/06/90/69/160069069.db2.gz HZVYDVCUBDULLL-UHFFFAOYSA-N 0 0 308.363 0.379 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000408249346 160069199 /nfs/dbraw/zinc/06/91/99/160069199.db2.gz ZWXDJUUJQNENOG-INIZCTEOSA-N 0 0 301.346 0.528 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408249194 160069304 /nfs/dbraw/zinc/06/93/04/160069304.db2.gz ZCNZZSHYZQBQQE-INIZCTEOSA-N 0 0 304.394 0.708 10 0 DCAERN C[C@H](CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)[S@@](C)=O ZINC000408258763 160071407 /nfs/dbraw/zinc/07/14/07/160071407.db2.gz AYZPCXWPLPNKEO-HQHPYACNSA-N 0 0 315.439 0.455 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408260067 160071463 /nfs/dbraw/zinc/07/14/63/160071463.db2.gz CQCPOHVXOWBCPJ-QJPTWQEYSA-N 0 0 318.377 0.731 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000408259952 160071465 /nfs/dbraw/zinc/07/14/65/160071465.db2.gz RAAWKPFCDWKYBB-NSHDSACASA-N 0 0 313.423 0.281 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)C1CCC(CO)CC1 ZINC000408277169 160074110 /nfs/dbraw/zinc/07/41/10/160074110.db2.gz NJJBVQMISNHAQG-BPCQOVAHSA-N 0 0 300.424 0.917 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@H]21 ZINC000408292935 160077424 /nfs/dbraw/zinc/07/74/24/160077424.db2.gz FFPSYZVQQGFQPI-CHWSQXEVSA-N 0 0 304.350 0.332 10 0 DCAERN CC(C)[C@](C)(O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000408292495 160077547 /nfs/dbraw/zinc/07/75/47/160077547.db2.gz TYFMJAWZJVBFDI-AWEZNQCLSA-N 0 0 318.439 0.466 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000408294220 160078431 /nfs/dbraw/zinc/07/84/31/160078431.db2.gz LCWJFVFBIGVXRI-YNEHKIRRSA-N 0 0 320.393 0.733 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCN1C ZINC000408302815 160079959 /nfs/dbraw/zinc/07/99/59/160079959.db2.gz JHIZONUTQDHIRL-CJNGLKHVSA-N 0 0 321.425 0.845 10 0 DCAERN O=C([C@@H]1CCSC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000408305920 160081398 /nfs/dbraw/zinc/08/13/98/160081398.db2.gz OCEHDNXHODHUPM-LLVKDONJSA-N 0 0 318.406 0.526 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000408307554 160081768 /nfs/dbraw/zinc/08/17/68/160081768.db2.gz FCABDYNYWPPLHC-GIPWTMENSA-N 0 0 302.396 0.492 10 0 DCAERN O=S(=O)(CC(F)(F)F)[N-]C[C@@H]1CN(C2CC2)CCO1 ZINC000408310676 160082440 /nfs/dbraw/zinc/08/24/40/160082440.db2.gz TYJPROYJISXTFI-SECBINFHSA-N 0 0 302.318 0.331 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCCN(c2cccnn2)CC1 ZINC000408311739 160083105 /nfs/dbraw/zinc/08/31/05/160083105.db2.gz ZZDCTBMQJBASDK-UHFFFAOYSA-N 0 0 324.328 0.881 10 0 DCAERN CC1CCC(OCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000408314364 160083207 /nfs/dbraw/zinc/08/32/07/160083207.db2.gz TWHCWBBCHPPLJY-OTTFEQOBSA-N 0 0 318.439 0.732 10 0 DCAERN Cn1nc(CC(=O)N2CC[C@](C)(O)C2)c2ccccc2c1=O ZINC000408327238 160085368 /nfs/dbraw/zinc/08/53/68/160085368.db2.gz APTJUZUPMMNIED-INIZCTEOSA-N 0 0 301.346 0.459 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)cc1 ZINC000408324978 160085439 /nfs/dbraw/zinc/08/54/39/160085439.db2.gz UJCHWRRTFYKYLN-UHFFFAOYSA-N 0 0 319.386 0.836 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@]2(CCOC2)O1 ZINC000408326943 160085631 /nfs/dbraw/zinc/08/56/31/160085631.db2.gz QZRQVBDZFLHZBM-NHYWBVRUSA-N 0 0 308.334 0.416 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)O1 ZINC000408337573 160087284 /nfs/dbraw/zinc/08/72/84/160087284.db2.gz CKOFIXCMZVWDHF-UTUOFQBUSA-N 0 0 306.366 0.599 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000408337172 160087290 /nfs/dbraw/zinc/08/72/90/160087290.db2.gz FDERAJDHKNBCNX-GFCCVEGCSA-N 0 0 305.444 0.810 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)[S@@](C)=O ZINC000408339331 160088184 /nfs/dbraw/zinc/08/81/84/160088184.db2.gz PKRQDCCEHAABFU-GABTYQIGSA-N 0 0 312.457 0.087 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000408354265 160090990 /nfs/dbraw/zinc/09/09/90/160090990.db2.gz JGVLMTNBAXLFEZ-AWEZNQCLSA-N 0 0 305.378 0.792 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000408357376 160091560 /nfs/dbraw/zinc/09/15/60/160091560.db2.gz APUWLPYNZKECOF-LSDHHAIUSA-N 0 0 321.421 0.716 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000408374792 160094653 /nfs/dbraw/zinc/09/46/53/160094653.db2.gz MMIMPDHSXXZVGC-GXTWGEPZSA-N 0 0 300.424 0.919 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408381010 160095711 /nfs/dbraw/zinc/09/57/11/160095711.db2.gz GGCBJRCKOKMRDL-NWDGAFQWSA-N 0 0 311.382 0.590 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408381742 160095729 /nfs/dbraw/zinc/09/57/29/160095729.db2.gz NOLAGDHNQWNMOF-MNOVXSKESA-N 0 0 309.366 0.344 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408379270 160095851 /nfs/dbraw/zinc/09/58/51/160095851.db2.gz ZDOOCJWIOQDPPX-NSHDSACASA-N 0 0 316.354 0.459 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCC(N3CCNC3=O)CC2)c1 ZINC000408384918 160096667 /nfs/dbraw/zinc/09/66/67/160096667.db2.gz HIUWSONZGNNDFT-UHFFFAOYSA-N 0 0 304.350 0.725 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc(C)[nH]c(=O)c2)n1 ZINC000408384091 160096731 /nfs/dbraw/zinc/09/67/31/160096731.db2.gz CXRXLWLZGWOIIE-WDEREUQCSA-N 0 0 304.306 0.735 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408384621 160096929 /nfs/dbraw/zinc/09/69/29/160096929.db2.gz ZZNYFYZXFHHUEP-QWHCGFSZSA-N 0 0 324.425 0.696 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C)C1 ZINC000408391237 160098303 /nfs/dbraw/zinc/09/83/03/160098303.db2.gz BOKKEIIGIYTOHA-GRYCIOLGSA-N 0 0 303.428 0.754 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408391970 160099056 /nfs/dbraw/zinc/09/90/56/160099056.db2.gz AKZYYHKKAKDWKM-AVGNSLFASA-N 0 0 318.439 0.588 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408395884 160099970 /nfs/dbraw/zinc/09/99/70/160099970.db2.gz RMNNDVGXOIZSCJ-UONOGXRCSA-N 0 0 319.471 0.616 10 0 DCAERN CC(C)(C)n1ncc2c1ncn(CC1(O)CCOCC1)c2=O ZINC000408402110 160101061 /nfs/dbraw/zinc/10/10/61/160101061.db2.gz KGXWVQJRQYVRIE-UHFFFAOYSA-N 0 0 306.366 0.890 10 0 DCAERN C[C@H]1CCN(c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccn2)C1 ZINC000408417102 160103696 /nfs/dbraw/zinc/10/36/96/160103696.db2.gz XODRDVWYKGXEFU-WCQYABFASA-N 0 0 323.418 0.845 10 0 DCAERN C[C@H](c1ncc(Br)cn1)N1CCO[C@@H](CO)C1 ZINC000408413999 160103737 /nfs/dbraw/zinc/10/37/37/160103737.db2.gz XEUYPCQKQLCMSP-PSASIEDQSA-N 0 0 302.172 0.993 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000408429080 160105726 /nfs/dbraw/zinc/10/57/26/160105726.db2.gz WRLFICNERATSLB-UPJWGTAASA-N 0 0 324.425 0.601 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000408429433 160106151 /nfs/dbraw/zinc/10/61/51/160106151.db2.gz KFSBYMYAHVKFER-PWSUYJOCSA-N 0 0 310.398 0.483 10 0 DCAERN CCS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000408438172 160107749 /nfs/dbraw/zinc/10/77/49/160107749.db2.gz GGQARBNSIYALPI-CMPLNLGQSA-N 0 0 304.412 0.773 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cn(C)cn1 ZINC000408448668 160109795 /nfs/dbraw/zinc/10/97/95/160109795.db2.gz ZGYHEMZJLKQXBM-JTQLQIEISA-N 0 0 324.410 0.948 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408452062 160110782 /nfs/dbraw/zinc/11/07/82/160110782.db2.gz NLDXVUCVDTZUNS-STQMWFEESA-N 0 0 318.439 0.277 10 0 DCAERN CNS(=O)(=O)NCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000408452086 160111138 /nfs/dbraw/zinc/11/11/38/160111138.db2.gz LZFMNFBYNCCACK-UHFFFAOYSA-N 0 0 317.333 0.278 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408460815 160113381 /nfs/dbraw/zinc/11/33/81/160113381.db2.gz RLPAOEAOBYYBCW-BFHYXJOUSA-N 0 0 320.455 0.394 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408461486 160113737 /nfs/dbraw/zinc/11/37/37/160113737.db2.gz VLCWUZDMLFIAPK-STQMWFEESA-N 0 0 311.407 0.484 10 0 DCAERN CC(C)Oc1nccnc1N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000408473507 160116457 /nfs/dbraw/zinc/11/64/57/160116457.db2.gz OSGCOSXNVUNSQC-HNNXBMFYSA-N 0 0 318.381 0.887 10 0 DCAERN CSc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1 ZINC000064573814 286903789 /nfs/dbraw/zinc/90/37/89/286903789.db2.gz HDKVQIOOZOTIJJ-UHFFFAOYSA-N 0 0 300.405 0.919 10 0 DCAERN C[C@@H](Nc1cccc(CO)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000073622802 286913339 /nfs/dbraw/zinc/91/33/39/286913339.db2.gz XFYGHKVCLHDHIQ-LLVKDONJSA-N 0 0 305.378 0.716 10 0 DCAERN Cc1ncc(CN(C)C(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000079395119 286924359 /nfs/dbraw/zinc/92/43/59/286924359.db2.gz MGAQGBPPWODYAQ-UHFFFAOYSA-N 0 0 310.379 0.740 10 0 DCAERN CC(C)(C)[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)C(N)=O ZINC000089871879 286933026 /nfs/dbraw/zinc/93/30/26/286933026.db2.gz GHOGBOMFUHMQIN-SNVBAGLBSA-N 0 0 317.353 0.684 10 0 DCAERN Cc1cccc(CNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n1 ZINC000091620480 286936600 /nfs/dbraw/zinc/93/66/00/286936600.db2.gz BUUASSPPPBYPQX-KBPBESRZSA-N 0 0 320.393 0.825 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(C)(C)NC(=O)OC)CC2 ZINC000114865124 286944338 /nfs/dbraw/zinc/94/43/38/286944338.db2.gz GNTUHPJCYUWUDH-SECBINFHSA-N 0 0 309.370 0.406 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CCCCO)C2CC2)C[C@@H](C)O1 ZINC000121498784 286955050 /nfs/dbraw/zinc/95/50/50/286955050.db2.gz AQXNLMAZDRQIDC-VXGBXAGGSA-N 0 0 306.428 0.577 10 0 DCAERN Cc1noc(C)c1C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000130576518 286994797 /nfs/dbraw/zinc/99/47/97/286994797.db2.gz HMUTXSPDWMSCEA-MRVPVSSYSA-N 0 0 322.365 0.669 10 0 DCAERN CCCNC(=O)C1CCN(c2cncc(OCCO)n2)CC1 ZINC000131183779 286998992 /nfs/dbraw/zinc/99/89/92/286998992.db2.gz MQFONFQKHNIQPM-UHFFFAOYSA-N 0 0 308.382 0.590 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000119660898 287002762 /nfs/dbraw/zinc/00/27/62/287002762.db2.gz RELGQPQRNJCQKK-GFCCVEGCSA-N 0 0 322.361 0.806 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132178987 287004189 /nfs/dbraw/zinc/00/41/89/287004189.db2.gz XVRSQVKNTSGMEV-RYUDHWBXSA-N 0 0 318.439 0.752 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132178766 287004207 /nfs/dbraw/zinc/00/42/07/287004207.db2.gz XVRSQVKNTSGMEV-NWDGAFQWSA-N 0 0 318.439 0.752 10 0 DCAERN CCN(CC)C(=O)CS(=O)(=O)CC(=O)NC(C)(C)CC ZINC000133626350 287012293 /nfs/dbraw/zinc/01/22/93/287012293.db2.gz ZDDNAEAKGAPUTR-UHFFFAOYSA-N 0 0 306.428 0.574 10 0 DCAERN CCc1cnc(CCNC(=O)NCC[C@H](O)COC)s1 ZINC000133990519 287014081 /nfs/dbraw/zinc/01/40/81/287014081.db2.gz VSUPKRHFNPTSCQ-JTQLQIEISA-N 0 0 301.412 0.945 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCc1cccnc1OC ZINC000134021750 287014655 /nfs/dbraw/zinc/01/46/55/287014655.db2.gz CHLGZKUFEBRVQZ-UHFFFAOYSA-N 0 0 317.349 0.952 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000136033430 287025309 /nfs/dbraw/zinc/02/53/09/287025309.db2.gz FOSDADIHRUXDOE-UONOGXRCSA-N 0 0 322.405 0.783 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000135349999 287021461 /nfs/dbraw/zinc/02/14/61/287021461.db2.gz CMXIZLAEBXOQEC-TYUFSLCMSA-N 0 0 308.378 0.391 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)NC1CCCCC1 ZINC000135535669 287023168 /nfs/dbraw/zinc/02/31/68/287023168.db2.gz PILTVJSDUSTCRI-AAEUAGOBSA-N 0 0 318.439 0.922 10 0 DCAERN C[C@]1(CO)CCC[C@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000137131014 287027866 /nfs/dbraw/zinc/02/78/66/287027866.db2.gz BETPXIUCMUTYHU-IPJQOSJUSA-N 0 0 322.405 0.829 10 0 DCAERN O=C(NCCC1CCCC1)NCCN1CCCS1(=O)=O ZINC000145505018 287030043 /nfs/dbraw/zinc/03/00/43/287030043.db2.gz OESUOWYLPMQLQX-UHFFFAOYSA-N 0 0 303.428 0.901 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000152020854 287038009 /nfs/dbraw/zinc/03/80/09/287038009.db2.gz IZQVLZGYQQMTLX-VIFPVBQESA-N 0 0 318.370 0.951 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(-c2cccs2)n[nH]1 ZINC000152126428 287039031 /nfs/dbraw/zinc/03/90/31/287039031.db2.gz WTVSONNUDFNCBV-ZETCQYMHSA-N 0 0 304.331 0.673 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000152942177 287045106 /nfs/dbraw/zinc/04/51/06/287045106.db2.gz IFFRHINTZUIQJK-UHFFFAOYSA-N 0 0 312.457 0.472 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245446461 287069312 /nfs/dbraw/zinc/06/93/12/287069312.db2.gz ZWCUKISTVIGAKL-PWSUYJOCSA-N 0 0 312.332 0.917 10 0 DCAERN CCn1c(C)nnc1CN1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000245839458 287073466 /nfs/dbraw/zinc/07/34/66/287073466.db2.gz CDPNNKYOQBUMJG-GFCCVEGCSA-N 0 0 309.414 0.676 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246060667 287075897 /nfs/dbraw/zinc/07/58/97/287075897.db2.gz DGHOHYXQFKTGLV-AGIUHOORSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408282573 287087379 /nfs/dbraw/zinc/08/73/79/287087379.db2.gz YPUHZCISKMXSFK-ZIAGYGMSSA-N 0 0 311.426 0.158 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246841527 287088500 /nfs/dbraw/zinc/08/85/00/287088500.db2.gz UKAKFXHYXZNWTL-WXHSDQCUSA-N 0 0 316.357 0.908 10 0 DCAERN CC(C)c1noc([C@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000247197729 287091797 /nfs/dbraw/zinc/09/17/97/287091797.db2.gz SUSSHCCBDPHECK-VHSXEESVSA-N 0 0 302.400 0.878 10 0 DCAERN COC[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247200892 287092142 /nfs/dbraw/zinc/09/21/42/287092142.db2.gz LQFDODBOVYOWMF-RWMBFGLXSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C[C@H](C)O1 ZINC000247306399 287092593 /nfs/dbraw/zinc/09/25/93/287092593.db2.gz ZZFRUABCUUQKMK-CLLJXQQHSA-N 0 0 320.393 0.799 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cnc21 ZINC000248406108 287096588 /nfs/dbraw/zinc/09/65/88/287096588.db2.gz BPGDUKABGLJGII-MVWJERBFSA-N 0 0 301.350 0.907 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H](C)C[S@@](C)=O)CCN1CCOC ZINC000248443785 287097470 /nfs/dbraw/zinc/09/74/70/287097470.db2.gz BHNALXWEOMVVFV-OSRJUQGESA-N 0 0 319.471 0.506 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000248880001 287102476 /nfs/dbraw/zinc/10/24/76/287102476.db2.gz RXVLYGBFVHOHDU-HZSPNIEDSA-N 0 0 312.410 0.755 10 0 DCAERN COc1ccc(CNC(=O)CN2C[C@@H](C)O[C@H](CO)C2)cc1 ZINC000248951138 287103805 /nfs/dbraw/zinc/10/38/05/287103805.db2.gz FEHWWDABQMKFKE-DOMZBBRYSA-N 0 0 308.378 0.393 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249562789 287114472 /nfs/dbraw/zinc/11/44/72/287114472.db2.gz MCUYVULIVMETBA-MCIONIFRSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)[C@@H](C)CO1 ZINC000249449645 287110926 /nfs/dbraw/zinc/11/09/26/287110926.db2.gz MAKPRLXMTSCKPG-UMSGYPCISA-N 0 0 306.428 0.481 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC[C@H]1C ZINC000249973941 287118779 /nfs/dbraw/zinc/11/87/79/287118779.db2.gz XVTSSIDYSLEJOT-BXKDBHETSA-N 0 0 315.395 0.170 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000255633127 287126084 /nfs/dbraw/zinc/12/60/84/287126084.db2.gz ZBFPCKWBXWRYNO-ZRUQZJFASA-N 0 0 305.378 0.978 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246455330 685163880 /nfs/dbraw/zinc/16/38/80/685163880.db2.gz OZFHOTGKCGEWTC-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)C2CC2)cs1 ZINC000358307672 287206382 /nfs/dbraw/zinc/20/63/82/287206382.db2.gz OARLYIDRDZZIKG-JTQLQIEISA-N 0 0 303.405 0.900 10 0 DCAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCN2CCOC[C@H]2C1 ZINC000375887053 287228585 /nfs/dbraw/zinc/22/85/85/287228585.db2.gz AZEPHUXCOAZESJ-GDBMZVCRSA-N 0 0 315.373 0.723 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000408355012 287233683 /nfs/dbraw/zinc/23/36/83/287233683.db2.gz PJBATVXLKTWEPL-TUAOUCFPSA-N 0 0 305.444 0.569 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)Cn1nc2ccccn2c1=O ZINC000088253514 412438519 /nfs/dbraw/zinc/43/85/19/412438519.db2.gz IDYPXHSNXVHVFV-UHFFFAOYSA-N 0 0 323.316 0.486 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2C)C[C@H]1C ZINC000380723490 685237414 /nfs/dbraw/zinc/23/74/14/685237414.db2.gz JRXYHDMIBKZHKN-SCZZXKLOSA-N 0 0 301.368 0.158 10 0 DCAERN C[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)N1CCOCC1 ZINC000029957761 415178357 /nfs/dbraw/zinc/17/83/57/415178357.db2.gz RTORUIOCOMRFPX-GFCCVEGCSA-N 0 0 320.393 0.305 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000046167121 415254271 /nfs/dbraw/zinc/25/42/71/415254271.db2.gz WJFOFTWILASRHQ-UHFFFAOYSA-N 0 0 304.350 0.843 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)C(C)C ZINC000046421997 415259149 /nfs/dbraw/zinc/25/91/49/415259149.db2.gz CGSNIHGGLLVGDA-KBPBESRZSA-N 0 0 319.409 0.722 10 0 DCAERN CC(=O)N[C@@H]1[C@@H](O)[C@H](F)[C@@H](CO)O[C@@H]1OCc1ccccc1 ZINC000044699121 415225925 /nfs/dbraw/zinc/22/59/25/415225925.db2.gz HAJHAJQQMKGKKF-ZSAUSMIDSA-N 0 0 313.325 0.124 10 0 in-vitro DCAERN CCS(=O)(=O)NCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000051484393 415312693 /nfs/dbraw/zinc/31/26/93/415312693.db2.gz OPPFIYLTBXPFRL-UHFFFAOYSA-N 0 0 311.363 0.019 10 0 DCAERN CC(C)COC1CCN(CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000054328651 415323840 /nfs/dbraw/zinc/32/38/40/415323840.db2.gz QYWUAZSXJVCTLX-CYBMUJFWSA-N 0 0 313.442 0.716 10 0 DCAERN CCCN(CCO)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303061 415405823 /nfs/dbraw/zinc/40/58/23/415405823.db2.gz FAARSQOOPDEINI-UHFFFAOYSA-N 0 0 315.391 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCC1=O ZINC000275288692 415371531 /nfs/dbraw/zinc/37/15/31/415371531.db2.gz UVSYKKLFEKBQTB-PSLIRLAXSA-N 0 0 307.350 0.144 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000066858401 415371898 /nfs/dbraw/zinc/37/18/98/415371898.db2.gz HVPSUKSWCUTQBG-UHFFFAOYSA-N 0 0 319.409 0.426 10 0 DCAERN Cc1[nH][nH]c(=O)c1CC(=O)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000067847360 415388055 /nfs/dbraw/zinc/38/80/55/415388055.db2.gz SUQWSGYSYKGWJY-HNNXBMFYSA-N 0 0 306.366 0.437 10 0 DCAERN CCOCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1C ZINC000084504281 415497080 /nfs/dbraw/zinc/49/70/80/415497080.db2.gz GEWIBXDVUTUETN-UHFFFAOYSA-N 0 0 314.407 0.963 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)ccc2C)C1 ZINC000091414380 415534832 /nfs/dbraw/zinc/53/48/32/415534832.db2.gz ALWQPLJBMQJBQE-UHFFFAOYSA-N 0 0 303.362 0.836 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2CC)C1 ZINC000091414180 415537163 /nfs/dbraw/zinc/53/71/63/415537163.db2.gz GPIPVUUSLIHBGQ-UHFFFAOYSA-N 0 0 303.362 0.782 10 0 DCAERN CC1CCN(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000091993040 415539994 /nfs/dbraw/zinc/53/99/94/415539994.db2.gz ONRZWZFTUHQXMG-LBPRGKRZSA-N 0 0 318.443 0.343 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC[C@H]1C ZINC000281658502 415564370 /nfs/dbraw/zinc/56/43/70/415564370.db2.gz SHCSGNTXSWQCKO-LDYMZIIASA-N 0 0 316.379 0.732 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333157337 415571660 /nfs/dbraw/zinc/57/16/60/415571660.db2.gz LIRUXXVDIXIORD-NOOOWODRSA-N 0 0 322.452 0.258 10 0 DCAERN C[C@H]1CN(CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158578 415571712 /nfs/dbraw/zinc/57/17/12/415571712.db2.gz LNCPBEOMAVMEES-CRWXNKLISA-N 0 0 302.440 0.503 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)C3(C)CC3)CCO2)[nH]1 ZINC000333298381 415603636 /nfs/dbraw/zinc/60/36/36/415603636.db2.gz PRFWWCBJJGBMMB-VIFPVBQESA-N 0 0 300.384 0.623 10 0 DCAERN Cc1nnc([C@H](NC(=O)[C@H]2CC(=O)N(C)C2)c2ccccc2)[nH]1 ZINC000103281266 415614932 /nfs/dbraw/zinc/61/49/32/415614932.db2.gz GCPPKSUKDDOMIH-GXTWGEPZSA-N 0 0 313.361 0.797 10 0 DCAERN Cc1cc2cn[nH]c2c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000285436619 415615036 /nfs/dbraw/zinc/61/50/36/415615036.db2.gz PGODJNJUURJGAL-RNCFNFMXSA-N 0 0 302.334 0.586 10 0 DCAERN O=C(NC1CCN(c2ccccn2)CC1)N1CCNC(=O)CC1 ZINC000105142714 415631153 /nfs/dbraw/zinc/63/11/53/415631153.db2.gz RRRZLNGLBPHGMN-UHFFFAOYSA-N 0 0 317.393 0.582 10 0 DCAERN CCn1cncc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000333395870 415635711 /nfs/dbraw/zinc/63/57/11/415635711.db2.gz DRWNIKKUFLIEQJ-HBNTYKKESA-N 0 0 312.395 0.191 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1=O ZINC000333395001 415636329 /nfs/dbraw/zinc/63/63/29/415636329.db2.gz AQTYNUMVDUHHGM-OAHLLOKOSA-N 0 0 323.437 0.568 10 0 DCAERN COCC1(S(=O)(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000333271255 415597408 /nfs/dbraw/zinc/59/74/08/415597408.db2.gz CMXILEBFJVUBLZ-UHFFFAOYSA-N 0 0 312.395 0.107 10 0 DCAERN CN1C(=O)CC[C@H](Nc2ccnc(N3CCCCC3)n2)C1=O ZINC000333506661 415670733 /nfs/dbraw/zinc/67/07/33/415670733.db2.gz SUXWYNFJPATPJV-NSHDSACASA-N 0 0 303.366 1.026 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000150842612 196593210 /nfs/dbraw/zinc/59/32/10/196593210.db2.gz RDKIYNWCUIAMEZ-UHFFFAOYSA-N 0 0 303.318 0.852 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000119036841 415734332 /nfs/dbraw/zinc/73/43/32/415734332.db2.gz YCHYTGXVHVVKFO-AWEZNQCLSA-N 0 0 313.442 0.814 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cnn(C)c1)CC2 ZINC000114977907 415724038 /nfs/dbraw/zinc/72/40/38/415724038.db2.gz VYZCYERKNIYHGG-GFCCVEGCSA-N 0 0 317.397 0.730 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000112031993 415702153 /nfs/dbraw/zinc/70/21/53/415702153.db2.gz PSFZQSFPMXOSMY-VIFPVBQESA-N 0 0 312.288 0.319 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000333651304 415705465 /nfs/dbraw/zinc/70/54/65/415705465.db2.gz VULCGSZTJOAIKV-SMDDNHRTSA-N 0 0 300.378 0.340 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000112655340 415711721 /nfs/dbraw/zinc/71/17/21/415711721.db2.gz LPQRUQJYHIVBDY-CHWSQXEVSA-N 0 0 317.393 0.358 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC000112667121 415715345 /nfs/dbraw/zinc/71/53/45/415715345.db2.gz NNOIYAXEROSIFA-UHFFFAOYSA-N 0 0 315.377 0.836 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000119129380 415739164 /nfs/dbraw/zinc/73/91/64/415739164.db2.gz WZRHLZSTRVJDPA-NTZNESFSSA-N 0 0 308.444 0.727 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1CCc3ncnn3C1)c2O ZINC000119247838 415739344 /nfs/dbraw/zinc/73/93/44/415739344.db2.gz YHKAVCGPYNEASQ-MRVPVSSYSA-N 0 0 313.321 0.010 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@@H](C)O1 ZINC000119498248 415744935 /nfs/dbraw/zinc/74/49/35/415744935.db2.gz PPPIGSWKYWBKRN-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119606674 415745324 /nfs/dbraw/zinc/74/53/24/415745324.db2.gz UDQFSSJTKHAXAF-MRVPVSSYSA-N 0 0 311.367 0.429 10 0 DCAERN CN1CC[C@@H](C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CC1=O ZINC000119648688 415746723 /nfs/dbraw/zinc/74/67/23/415746723.db2.gz YOEIFSWNGBQTFS-DGCLKSJQSA-N 0 0 315.373 0.861 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(=O)N[C@H](C)C1 ZINC000333838084 415748736 /nfs/dbraw/zinc/74/87/36/415748736.db2.gz MTACUBIMWHDNTQ-HBNTYKKESA-N 0 0 313.423 0.281 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000120320177 415763799 /nfs/dbraw/zinc/76/37/99/415763799.db2.gz JWZDWKDPWYXLOI-MNOVXSKESA-N 0 0 321.381 0.392 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)NC(C)(C)CN2CCOCC2)CCO1 ZINC000333923432 415765498 /nfs/dbraw/zinc/76/54/98/415765498.db2.gz SDXPOLPNDPYGQS-STQMWFEESA-N 0 0 320.455 0.584 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000120476241 415770748 /nfs/dbraw/zinc/77/07/48/415770748.db2.gz YITNYQWASBCNKK-GFCCVEGCSA-N 0 0 318.377 0.428 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCS1(=O)=O ZINC000122394981 415833510 /nfs/dbraw/zinc/83/35/10/415833510.db2.gz FXAVQOWPEXEEFE-GFCCVEGCSA-N 0 0 323.418 0.941 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1c1ncnc2n[nH]cc21)N1CCOCC1 ZINC000344119805 415842353 /nfs/dbraw/zinc/84/23/53/415842353.db2.gz ZBBSJVDDMASGAI-KOLCDFICSA-N 0 0 320.328 0.129 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC[C@H]2CO)cccc1N(C)C ZINC000121035194 415793552 /nfs/dbraw/zinc/79/35/52/415793552.db2.gz NDQUDKODDRJSAI-LBPRGKRZSA-N 0 0 305.378 0.983 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 ZINC000121318348 415798877 /nfs/dbraw/zinc/79/88/77/415798877.db2.gz KDUBUVJFASXWQV-QMMMGPOBSA-N 0 0 322.308 0.868 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCS1(=O)=O ZINC000121624890 415812871 /nfs/dbraw/zinc/81/28/71/415812871.db2.gz DNFVNIXNYNDTSM-VIFPVBQESA-N 0 0 304.393 0.076 10 0 DCAERN COc1ccccc1NCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121819302 415815360 /nfs/dbraw/zinc/81/53/60/415815360.db2.gz VSYUBKWOVTXRMY-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccccc2F)CCS1(=O)=O ZINC000121697939 415815976 /nfs/dbraw/zinc/81/59/76/415815976.db2.gz DBZRRZHPZGHPTL-JTQLQIEISA-N 0 0 301.339 0.850 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CCCC[C@H]1c1nc[nH]n1 ZINC000121776023 415817655 /nfs/dbraw/zinc/81/76/55/415817655.db2.gz ZWWJPRZYFPNVLE-JTQLQIEISA-N 0 0 308.386 0.956 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)CCS1(=O)=O ZINC000122135993 415827683 /nfs/dbraw/zinc/82/76/83/415827683.db2.gz CSLJYAPXRRYSDT-SECBINFHSA-N 0 0 308.363 0.227 10 0 DCAERN CC[C@H](OC1CCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128026267 415895552 /nfs/dbraw/zinc/89/55/52/415895552.db2.gz TZWJTROICNDFCF-ZFWWWQNUSA-N 0 0 314.426 0.534 10 0 DCAERN CC[C@H]1CCN(C(=O)C(=O)Nc2cc(CCOC)nn2C)C1 ZINC000128164912 415895843 /nfs/dbraw/zinc/89/58/43/415895843.db2.gz QJQNFPNEQKTMBK-NSHDSACASA-N 0 0 308.382 0.806 10 0 DCAERN O=C([C@@H]1CCC[C@@H]1C(=O)N(CCO)C1CC1)N(CCO)C1CC1 ZINC000128336387 415897199 /nfs/dbraw/zinc/89/71/99/415897199.db2.gz MYTNDJHREGNMRI-GASCZTMLSA-N 0 0 324.421 0.369 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)c(=O)[nH]c1C ZINC000130884646 415922987 /nfs/dbraw/zinc/92/29/87/415922987.db2.gz YOIKAHCLEIKNLA-SKDRFNHKSA-N 0 0 320.393 0.906 10 0 DCAERN COc1csc(C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000133109975 415941632 /nfs/dbraw/zinc/94/16/32/415941632.db2.gz NSJVORDBOIYPEW-SNVBAGLBSA-N 0 0 300.380 0.180 10 0 DCAERN Cc1cnn(CCNC(=O)N(CCS(C)(=O)=O)C(C)C)c1 ZINC000133899237 415951013 /nfs/dbraw/zinc/95/10/13/415951013.db2.gz XZLXSDBSSZZNQC-UHFFFAOYSA-N 0 0 316.427 0.656 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCCC3(C2)OCCO3)no1 ZINC000133965260 415951279 /nfs/dbraw/zinc/95/12/79/415951279.db2.gz NCLRHPMDDFNMFB-UHFFFAOYSA-N 0 0 302.352 0.652 10 0 DCAERN COCCCCS(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000134026284 415954279 /nfs/dbraw/zinc/95/42/79/415954279.db2.gz DAWAWHAXRXUKPP-CQSZACIVSA-N 0 0 314.407 0.733 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CCn3cccn3)C2)cn1 ZINC000151543534 415963723 /nfs/dbraw/zinc/96/37/23/415963723.db2.gz QLAHNBYTDWXSEA-ZDUSSCGKSA-N 0 0 302.382 0.792 10 0 DCAERN CN1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000153425655 415980733 /nfs/dbraw/zinc/98/07/33/415980733.db2.gz JDLKKYQOAWHZSS-UHFFFAOYSA-N 0 0 314.349 0.251 10 0 DCAERN CCN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc(C)c1 ZINC000153590004 415984616 /nfs/dbraw/zinc/98/46/16/415984616.db2.gz KGWSEWPBRADXEY-ZDUSSCGKSA-N 0 0 318.377 0.536 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)c1C ZINC000153766837 415987330 /nfs/dbraw/zinc/98/73/30/415987330.db2.gz HBHNWGWHSIHMFG-LLVKDONJSA-N 0 0 321.381 0.195 10 0 DCAERN CCN1C[C@H](C(=O)NCc2cn(C)nc2C(F)(F)F)CC1=O ZINC000153977766 415988846 /nfs/dbraw/zinc/98/88/46/415988846.db2.gz FFILNPQNDIPYEX-MRVPVSSYSA-N 0 0 318.299 0.924 10 0 DCAERN COc1ccc([C@@H](C)NC(=O)Cn2ncn(C)c2=O)cc1OC ZINC000153923463 415989168 /nfs/dbraw/zinc/98/91/68/415989168.db2.gz IXXVMUVHMXBNHF-SNVBAGLBSA-N 0 0 320.349 0.476 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000344822091 415994098 /nfs/dbraw/zinc/99/40/98/415994098.db2.gz KCBTWFVEDRYTKA-GXSJLCMTSA-N 0 0 312.395 0.093 10 0 DCAERN CCc1nc(NC(=O)C2CC3(C2)NC(=O)NC3=O)sc1C ZINC000155348721 415996256 /nfs/dbraw/zinc/99/62/56/415996256.db2.gz MHNOSQXYUZUDBR-UHFFFAOYSA-N 0 0 308.363 0.941 10 0 DCAERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(Cc2ccon2)CC1 ZINC000155353839 415996852 /nfs/dbraw/zinc/99/68/52/415996852.db2.gz CJKKZJTUJNQTPO-MCIONIFRSA-N 0 0 306.366 0.822 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc[nH]c(=O)c1)CC2 ZINC000158575851 415999594 /nfs/dbraw/zinc/99/95/94/415999594.db2.gz AGUNPWAJQXEUDZ-LLVKDONJSA-N 0 0 301.350 0.835 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)[C@H]1CCCO1 ZINC000131569642 415930684 /nfs/dbraw/zinc/93/06/84/415930684.db2.gz BZBLKIRPQZAADD-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000132449376 415932272 /nfs/dbraw/zinc/93/22/72/415932272.db2.gz LCIBZUNLZWAYLN-SMDDNHRTSA-N 0 0 300.424 0.618 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000132828771 415936794 /nfs/dbraw/zinc/93/67/94/415936794.db2.gz BXTFDUABDKRMNH-BXUZGUMPSA-N 0 0 300.424 0.762 10 0 DCAERN CN(C)[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000132949803 415938478 /nfs/dbraw/zinc/93/84/78/415938478.db2.gz QDQNPMPUMZOPRH-HOTGVXAUSA-N 0 0 321.421 0.099 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)on1 ZINC000171837249 416042030 /nfs/dbraw/zinc/04/20/30/416042030.db2.gz VZPLQHQRKRCLBT-LLVKDONJSA-N 0 0 322.365 0.781 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1CC ZINC000172297083 416046025 /nfs/dbraw/zinc/04/60/25/416046025.db2.gz CCCYFVHJBCJOAD-KGLIPLIRSA-N 0 0 309.414 0.798 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000172559725 416047183 /nfs/dbraw/zinc/04/71/83/416047183.db2.gz ABFBVQRJULNSHT-JTQLQIEISA-N 0 0 321.358 0.996 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000172814866 416047353 /nfs/dbraw/zinc/04/73/53/416047353.db2.gz PWYIFYGRASYZBE-ZDUSSCGKSA-N 0 0 303.362 0.777 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc21 ZINC000172806456 416047801 /nfs/dbraw/zinc/04/78/01/416047801.db2.gz RDAGOHROWOQAQH-LLVKDONJSA-N 0 0 311.407 0.797 10 0 DCAERN COC[C@@H]1CN(CC(=O)NCc2ccc(OC)cc2)CCO1 ZINC000172883674 416049693 /nfs/dbraw/zinc/04/96/93/416049693.db2.gz YAXQMSSUHNARQL-HNNXBMFYSA-N 0 0 308.378 0.659 10 0 DCAERN Cn1cc(NC(=O)c2ccc3ncsc3c2)c(=O)n(C)c1=O ZINC000173085840 416052519 /nfs/dbraw/zinc/05/25/19/416052519.db2.gz KWFHXESRTQTPFL-UHFFFAOYSA-N 0 0 316.342 0.946 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000173506361 416060769 /nfs/dbraw/zinc/06/07/69/416060769.db2.gz IEIRYFGUOWIMAE-ZDUSSCGKSA-N 0 0 313.423 0.472 10 0 DCAERN CCc1nnsc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173840286 416065981 /nfs/dbraw/zinc/06/59/81/416065981.db2.gz YSLQLNGCKGYGGI-JQWIXIFHSA-N 0 0 310.423 0.893 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000173884333 416066949 /nfs/dbraw/zinc/06/69/49/416066949.db2.gz FRKDMUUERPXCBI-OLZOCXBDSA-N 0 0 311.426 0.328 10 0 DCAERN COCCCS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173894315 416067505 /nfs/dbraw/zinc/06/75/05/416067505.db2.gz AFOBDGDQSKNFQE-CQSZACIVSA-N 0 0 320.455 0.539 10 0 DCAERN COc1ccc(OC)c(CN2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000357385970 416070549 /nfs/dbraw/zinc/07/05/49/416070549.db2.gz BIXLGQVIGDMWSH-LBPRGKRZSA-N 0 0 300.380 0.567 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000158772028 416003968 /nfs/dbraw/zinc/00/39/68/416003968.db2.gz BTWGSKOYQKTJSD-VHSXEESVSA-N 0 0 303.380 0.999 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000356938808 416009225 /nfs/dbraw/zinc/00/92/25/416009225.db2.gz QHCQASQXTLTDAV-XQQFMLRXSA-N 0 0 311.426 0.469 10 0 DCAERN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C ZINC000337825002 416013536 /nfs/dbraw/zinc/01/35/36/416013536.db2.gz VHHDLRYBTDROHV-BBBLOLIVSA-N 0 0 317.415 0.039 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000166718968 416021312 /nfs/dbraw/zinc/02/13/12/416021312.db2.gz PPTGAXVNCURBQA-ZDUSSCGKSA-N 0 0 318.377 0.428 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000170756047 416030947 /nfs/dbraw/zinc/03/09/47/416030947.db2.gz SQXXFHQNEKPQHN-VXGBXAGGSA-N 0 0 301.306 0.718 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1C[C@@H](C)O ZINC000174643454 416084002 /nfs/dbraw/zinc/08/40/02/416084002.db2.gz ZRGYTLRIIVGSME-PWSUYJOCSA-N 0 0 324.381 0.225 10 0 DCAERN CC(C)NC(=O)CN(C)CC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000357459932 416084519 /nfs/dbraw/zinc/08/45/19/416084519.db2.gz YFCQSNNLUGEJAA-GFCCVEGCSA-N 0 0 323.397 0.656 10 0 DCAERN Cn1cc(N2CCC[C@H](Nc3cncc(C(N)=O)n3)C2)cn1 ZINC000301526045 416085520 /nfs/dbraw/zinc/08/55/20/416085520.db2.gz GBPSYYHEFFKZLG-JTQLQIEISA-N 0 0 301.354 0.390 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccn3C)C2=O)n(C)n1 ZINC000174995833 416091862 /nfs/dbraw/zinc/09/18/62/416091862.db2.gz QWTOJXJEGNRERJ-GFCCVEGCSA-N 0 0 315.377 0.992 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)n1 ZINC000178107016 416155562 /nfs/dbraw/zinc/15/55/62/416155562.db2.gz CRUMTENAVDYUGC-RYUDHWBXSA-N 0 0 306.366 0.713 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C3CCOCC3)C2=O)n(C)n1 ZINC000175008325 416094667 /nfs/dbraw/zinc/09/46/67/416094667.db2.gz CKKXZAGGFLVUJG-CYBMUJFWSA-N 0 0 320.393 0.767 10 0 DCAERN CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000175205188 416099248 /nfs/dbraw/zinc/09/92/48/416099248.db2.gz RYCSFFAHWJYMTL-YPMHNXCESA-N 0 0 312.391 0.524 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000312737984 416105646 /nfs/dbraw/zinc/10/56/46/416105646.db2.gz IQZTUKJMPISHAW-NXEZZACHSA-N 0 0 316.345 0.962 10 0 DCAERN O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@](O)(CO)C1 ZINC000313660693 416108683 /nfs/dbraw/zinc/10/86/83/416108683.db2.gz HHAIRDWLUYZDAQ-GFCCVEGCSA-N 0 0 307.318 0.473 10 0 DCAERN COC(=O)CNC(=O)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175535416 416109123 /nfs/dbraw/zinc/10/91/23/416109123.db2.gz WEYRMXWJTOSWPE-UHFFFAOYSA-N 0 0 311.407 0.743 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC3CCOCC3)C2)cn1 ZINC000175567429 416110668 /nfs/dbraw/zinc/11/06/68/416110668.db2.gz WOPVVBNTPCTBCN-ZDUSSCGKSA-N 0 0 307.398 0.867 10 0 DCAERN Cc1nccc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000175701976 416111754 /nfs/dbraw/zinc/11/17/54/416111754.db2.gz TTWZOMANBNKPDZ-WFASDCNBSA-N 0 0 319.409 0.647 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C2CC2)CC1 ZINC000175888558 416115706 /nfs/dbraw/zinc/11/57/06/416115706.db2.gz BQJDADVWVQEASQ-ZDUSSCGKSA-N 0 0 304.398 0.911 10 0 DCAERN COc1ccc(CNC(=O)COCc2nncn2C)c(OC)n1 ZINC000357698549 416117579 /nfs/dbraw/zinc/11/75/79/416117579.db2.gz FEBWBAXLCPNIBN-UHFFFAOYSA-N 0 0 321.337 0.060 10 0 DCAERN CCOCCNC(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000175962444 416118823 /nfs/dbraw/zinc/11/88/23/416118823.db2.gz HIOYBZKXVSKYMW-UHFFFAOYSA-N 0 0 323.441 0.081 10 0 DCAERN CCC(=O)N1CC[C@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 ZINC000328622266 416123900 /nfs/dbraw/zinc/12/39/00/416123900.db2.gz BAYSDVLPFNGAMN-STQMWFEESA-N 0 0 319.409 1.490 10 0 DCAERN Cc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)nn1C ZINC000328645936 416125043 /nfs/dbraw/zinc/12/50/43/416125043.db2.gz ZVHINECRNMSAKH-LBPRGKRZSA-N 0 0 317.397 0.983 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)c2ncncc2Cl)CC1 ZINC000176486379 416128524 /nfs/dbraw/zinc/12/85/24/416128524.db2.gz QMILRZHVGAKXOL-UHFFFAOYSA-N 0 0 311.773 0.024 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnn(C)c1C ZINC000176652752 416131640 /nfs/dbraw/zinc/13/16/40/416131640.db2.gz LIBZIRUYXAQZDS-LBPRGKRZSA-N 0 0 307.398 0.610 10 0 DCAERN Cc1ccc(O)c(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000176901588 416135758 /nfs/dbraw/zinc/13/57/58/416135758.db2.gz RDHUOEKNCURBTC-MRXNPFEDSA-N 0 0 308.378 0.514 10 0 DCAERN Cc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)sn1 ZINC000176857108 416135782 /nfs/dbraw/zinc/13/57/82/416135782.db2.gz NZAGGRTWRFMPNQ-UHFFFAOYSA-N 0 0 304.335 0.534 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)ccc21 ZINC000328923504 416139590 /nfs/dbraw/zinc/13/95/90/416139590.db2.gz UXNZZZMOIGVTSI-CABCVRRESA-N 0 0 315.377 0.513 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@@H]21 ZINC000328945778 416140653 /nfs/dbraw/zinc/14/06/53/416140653.db2.gz JTQLROVUVVOPIA-KWCYVHTRSA-N 0 0 320.393 0.459 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)NC[C@H]1CCCS1(=O)=O ZINC000357855747 416141512 /nfs/dbraw/zinc/14/15/12/416141512.db2.gz AYBDPZDVGFJALU-GFCCVEGCSA-N 0 0 322.390 0.939 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC(C)(O)CC3)C2)cn1 ZINC000177534671 416148165 /nfs/dbraw/zinc/14/81/65/416148165.db2.gz FIPOTQODAWZERH-CYBMUJFWSA-N 0 0 321.425 0.945 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@@H](C)O1 ZINC000177728198 416151263 /nfs/dbraw/zinc/15/12/63/416151263.db2.gz JKOJPKFXNWUMBF-PWSUYJOCSA-N 0 0 303.318 0.737 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000177708607 416151855 /nfs/dbraw/zinc/15/18/55/416151855.db2.gz MIQSQBLTDQKUSR-SXBYAPGRSA-N 0 0 309.410 0.800 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177801212 416153233 /nfs/dbraw/zinc/15/32/33/416153233.db2.gz SZHVVWBEYIYUGZ-GFCCVEGCSA-N 0 0 304.350 0.413 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n(C)n1 ZINC000177890889 416155079 /nfs/dbraw/zinc/15/50/79/416155079.db2.gz YHHVXPHSKPTXCR-NSHDSACASA-N 0 0 320.271 0.193 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1nncn1C ZINC000329373224 416167434 /nfs/dbraw/zinc/16/74/34/416167434.db2.gz MWYVRGNJPWDRGZ-STQMWFEESA-N 0 0 307.398 0.417 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(C)C ZINC000178675622 416168733 /nfs/dbraw/zinc/16/87/33/416168733.db2.gz AOIUZJLNPJFZKG-CYBMUJFWSA-N 0 0 305.378 0.889 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C[C@H]1c2ccccc2NC1=O)C(C)C ZINC000178697646 416169696 /nfs/dbraw/zinc/16/96/96/416169696.db2.gz UTSXOMAQHGXBQQ-FZMZJTMJSA-N 0 0 303.362 0.999 10 0 DCAERN CNC(=O)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000178714366 416170925 /nfs/dbraw/zinc/17/09/25/416170925.db2.gz JHECEBPCXHMYBH-GFCCVEGCSA-N 0 0 312.414 0.267 10 0 DCAERN Cc1nc([C@@H](NC(=O)NCCC(N)=O)c2ccccc2F)no1 ZINC000178846558 416173809 /nfs/dbraw/zinc/17/38/09/416173809.db2.gz GZTRDUNQKKXEDI-LBPRGKRZSA-N 0 0 321.312 0.781 10 0 DCAERN COCCN(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)[C@@H]1CCS(=O)(=O)C1 ZINC000329535134 416175043 /nfs/dbraw/zinc/17/50/43/416175043.db2.gz LEPQPGVRJOPVMU-XQHKEYJVSA-N 0 0 317.407 0.074 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1cc(F)ccc1F ZINC000178964993 416179237 /nfs/dbraw/zinc/17/92/37/416179237.db2.gz TWXKOBYROAHOFL-NSHDSACASA-N 0 0 324.331 0.019 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCCNC1=O ZINC000179089117 416182345 /nfs/dbraw/zinc/18/23/45/416182345.db2.gz JAQLHQLKULZYME-RISCZKNCSA-N 0 0 306.362 0.731 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000179167437 416182583 /nfs/dbraw/zinc/18/25/83/416182583.db2.gz BREHEVYMAPORON-WBMJQRKESA-N 0 0 320.393 0.821 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000179244089 416184072 /nfs/dbraw/zinc/18/40/72/416184072.db2.gz YBBBEDSRGRPVAQ-QWHCGFSZSA-N 0 0 303.362 0.910 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc2c(c1)C(=O)NC2=O ZINC000179215444 416184109 /nfs/dbraw/zinc/18/41/09/416184109.db2.gz YFGFJQDMWOJFRZ-GWCFXTLKSA-N 0 0 302.330 0.851 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(C)C ZINC000179265796 416184818 /nfs/dbraw/zinc/18/48/18/416184818.db2.gz CXWGOYZTMXLQSE-NSHDSACASA-N 0 0 302.400 0.513 10 0 DCAERN COc1n[nH]c(NC(=O)CCCNC(=O)c2ccccc2)n1 ZINC000179368394 416186164 /nfs/dbraw/zinc/18/61/64/416186164.db2.gz CVNBPGJYJSXCHI-UHFFFAOYSA-N 0 0 303.322 0.962 10 0 DCAERN COc1n[nH]c(NC(=O)Cn2nnc(-c3ccccc3)n2)n1 ZINC000179377190 416187614 /nfs/dbraw/zinc/18/76/14/416187614.db2.gz RQBBYGLRAFHPBV-UHFFFAOYSA-N 0 0 300.282 0.106 10 0 DCAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc2c(cnn2C)c1O ZINC000179498275 416189100 /nfs/dbraw/zinc/18/91/00/416189100.db2.gz NQVVPYQZKMHIBI-WDEREUQCSA-N 0 0 315.377 0.983 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000180236313 416193352 /nfs/dbraw/zinc/19/33/52/416193352.db2.gz JYTPCKDWZWLVQL-HNNXBMFYSA-N 0 0 318.352 0.958 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000180274030 416194911 /nfs/dbraw/zinc/19/49/11/416194911.db2.gz RABQRSOEBCEXGA-NFAHFFEMSA-N 0 0 311.341 0.961 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)[nH]c(=O)c1)CC2 ZINC000180414960 416195830 /nfs/dbraw/zinc/19/58/30/416195830.db2.gz XTJLERQYTWJJAH-NSHDSACASA-N 0 0 301.350 0.994 10 0 DCAERN CCCCNC(=O)C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180252763 416196079 /nfs/dbraw/zinc/19/60/79/416196079.db2.gz MBNNAAISWFRKCQ-LJQANCHMSA-N 0 0 304.441 0.769 10 0 DCAERN CC(=O)N1CCC[C@@H](CNc2nccn(C(F)F)c2=O)C1 ZINC000340916935 416198442 /nfs/dbraw/zinc/19/84/42/416198442.db2.gz YOBBBTYRMAHQBA-JTQLQIEISA-N 0 0 300.309 1.309 10 0 DCAERN COc1ncnc2c1CN(C(=O)[C@H](CC(C)C)NC(C)=O)CC2 ZINC000180715389 416198969 /nfs/dbraw/zinc/19/89/69/416198969.db2.gz XGYHELNFGLIHQG-AWEZNQCLSA-N 0 0 320.393 0.921 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C)C(=O)N(C)C ZINC000180802306 416200922 /nfs/dbraw/zinc/20/09/22/416200922.db2.gz RXIAQDDNVOLTHA-LLVKDONJSA-N 0 0 309.414 0.745 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148609 416201906 /nfs/dbraw/zinc/20/19/06/416201906.db2.gz GLEWQFDMVQBNOA-CQSZACIVSA-N 0 0 309.410 0.082 10 0 DCAERN O=C(Nc1ccc2c(c1)C(=O)NC2=O)N1CC(n2ccnn2)C1 ZINC000358175941 416205623 /nfs/dbraw/zinc/20/56/23/416205623.db2.gz VOYUULSTIXNTBW-UHFFFAOYSA-N 0 0 312.289 0.251 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@@H](C)O1 ZINC000181426565 416207789 /nfs/dbraw/zinc/20/77/89/416207789.db2.gz MFSLCKKRDSYUDX-PWSUYJOCSA-N 0 0 308.382 0.845 10 0 DCAERN Cc1ccc(OC2CCN(CCNS(C)(=O)=O)CC2)nc1 ZINC000181551404 416209544 /nfs/dbraw/zinc/20/95/44/416209544.db2.gz ZACZKTLRDMUVTI-UHFFFAOYSA-N 0 0 313.423 0.782 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCn3cncc3C2)c1 ZINC000358198245 416210987 /nfs/dbraw/zinc/21/09/87/416210987.db2.gz XNNKRVQTCFBURZ-UHFFFAOYSA-N 0 0 320.374 0.447 10 0 DCAERN CSCCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000182363860 416218698 /nfs/dbraw/zinc/21/86/98/416218698.db2.gz KUIZARGEDPOQNL-UHFFFAOYSA-N 0 0 319.452 0.710 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC000357947849 416158422 /nfs/dbraw/zinc/15/84/22/416158422.db2.gz ZJTKKXFANRUBAF-JSGCOSHPSA-N 0 0 309.410 0.714 10 0 DCAERN COC[C@H](NC(=O)C(=O)N(CCO)C1CC1)c1ccccc1 ZINC000357953174 416158764 /nfs/dbraw/zinc/15/87/64/416158764.db2.gz BWBSDVFWDMHREM-AWEZNQCLSA-N 0 0 306.362 0.474 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000341858721 416244221 /nfs/dbraw/zinc/24/42/21/416244221.db2.gz ITZWRVNBOHQXGM-WCQYABFASA-N 0 0 309.410 0.664 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000183734789 416249029 /nfs/dbraw/zinc/24/90/29/416249029.db2.gz RVNQGNNYRATPCF-ZDUSSCGKSA-N 0 0 320.389 0.793 10 0 DCAERN O=C(NC[C@@H](O)CO)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184252583 416252845 /nfs/dbraw/zinc/25/28/45/416252845.db2.gz BSCTWDIDLYSVPL-GHMZBOCLSA-N 0 0 306.284 0.812 10 0 DCAERN COC(=O)Cc1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000188194908 416263002 /nfs/dbraw/zinc/26/30/02/416263002.db2.gz LDNJFCKNZGLGNU-ZDUSSCGKSA-N 0 0 320.389 0.853 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000188173571 416263197 /nfs/dbraw/zinc/26/31/97/416263197.db2.gz AYAVRCYLZYOMCD-CYBMUJFWSA-N 0 0 304.346 0.753 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188809154 416264945 /nfs/dbraw/zinc/26/49/45/416264945.db2.gz GEVYPRRIOMMKST-KGLIPLIRSA-N 0 0 311.426 0.303 10 0 DCAERN COc1ccc(CNC(=O)NCc2cc(C(N)=O)co2)cn1 ZINC000190102042 416276438 /nfs/dbraw/zinc/27/64/38/416276438.db2.gz DHUDLSRZRARQGU-UHFFFAOYSA-N 0 0 304.306 0.782 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)CC2 ZINC000183118779 416236133 /nfs/dbraw/zinc/23/61/33/416236133.db2.gz ZHINYSCGFZOBOZ-STQMWFEESA-N 0 0 321.425 0.822 10 0 DCAERN CCCn1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cn1 ZINC000183207868 416238451 /nfs/dbraw/zinc/23/84/51/416238451.db2.gz UUTMVPZUQOZLSG-GFCCVEGCSA-N 0 0 304.354 0.933 10 0 DCAERN COCCC1(C)CN(C(=O)NCC2(S(C)(=O)=O)CC2)C1 ZINC000359048093 416301996 /nfs/dbraw/zinc/30/19/96/416301996.db2.gz YASXUWAHEKCEMV-UHFFFAOYSA-N 0 0 304.412 0.632 10 0 DCAERN CCN1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000193263517 416314246 /nfs/dbraw/zinc/31/42/46/416314246.db2.gz AXCPBIFNRFGBSW-UHFFFAOYSA-N 0 0 310.442 0.981 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(NC(C)=O)C2)C1 ZINC000190484582 416280053 /nfs/dbraw/zinc/28/00/53/416280053.db2.gz UJTSSXKWPPFTTI-YPMHNXCESA-N 0 0 309.410 0.618 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000190738401 416281844 /nfs/dbraw/zinc/28/18/44/416281844.db2.gz NQKLZMQHWYEKDY-DTWKUNHWSA-N 0 0 324.406 0.756 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000190790543 416283731 /nfs/dbraw/zinc/28/37/31/416283731.db2.gz MTTWPTOASVETSC-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN CN1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000191156433 416284086 /nfs/dbraw/zinc/28/40/86/416284086.db2.gz DNVWONTXZZGWEL-KBPBESRZSA-N 0 0 309.410 0.321 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000331239699 416293614 /nfs/dbraw/zinc/29/36/14/416293614.db2.gz OADHOSQRVCCPFW-INIZCTEOSA-N 0 0 306.362 0.490 10 0 DCAERN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cocn2)C1 ZINC000192008372 416294560 /nfs/dbraw/zinc/29/45/60/416294560.db2.gz XTXPQEBOGHJIFS-ZDUSSCGKSA-N 0 0 317.411 0.547 10 0 DCAERN CC(C)[C@@H](NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1)C(N)=O ZINC000192088307 416299041 /nfs/dbraw/zinc/29/90/41/416299041.db2.gz XDBXFLKLKZKHMP-BXKDBHETSA-N 0 0 321.381 0.419 10 0 DCAERN CN1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000248792101 416333895 /nfs/dbraw/zinc/33/38/95/416333895.db2.gz DNVWONTXZZGWEL-ZIAGYGMSSA-N 0 0 309.410 0.321 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000261996427 416336027 /nfs/dbraw/zinc/33/60/27/416336027.db2.gz PODNCPJXHULWJD-QWHCGFSZSA-N 0 0 303.362 0.447 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(-c2ccc3c(c2)OCC(=O)N3)n1 ZINC000263291731 416337770 /nfs/dbraw/zinc/33/77/70/416337770.db2.gz VTSAKJOQIDKIOO-NSHDSACASA-N 0 0 315.333 0.644 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)N1CCC12CCC2 ZINC000359688138 416353361 /nfs/dbraw/zinc/35/33/61/416353361.db2.gz NYKNHUPUYIPJIJ-CYBMUJFWSA-N 0 0 314.389 0.932 10 0 DCAERN C[C@H](CO)S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000195051735 416325049 /nfs/dbraw/zinc/32/50/49/416325049.db2.gz YDXQCVKFRKFLSM-BDAKNGLRSA-N 0 0 317.329 0.583 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)n(C)c1 ZINC000416288259 416363871 /nfs/dbraw/zinc/36/38/71/416363871.db2.gz DAVHAMBWRJQZKF-NEPJUHHUSA-N 0 0 307.394 0.755 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000360183214 416378154 /nfs/dbraw/zinc/37/81/54/416378154.db2.gz ZAVNUMXLJFNISN-QFYYESIMSA-N 0 0 323.393 0.678 10 0 DCAERN C[C@H](NC(=O)NCC[C@@H]1COc2ccccc2O1)C(=O)N(C)C ZINC000360382591 416387579 /nfs/dbraw/zinc/38/75/79/416387579.db2.gz CSQHAWIFNLJNHL-NWDGAFQWSA-N 0 0 321.377 0.992 10 0 DCAERN CO[C@]1(CNC(=O)NC[C@@H](CO)c2ccccc2)CCOC1 ZINC000360465706 416391802 /nfs/dbraw/zinc/39/18/02/416391802.db2.gz FAVNOFTXSWVIOV-HOCLYGCPSA-N 0 0 308.378 0.867 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3ccc4cc[nH]c4n3)C[C@H]21 ZINC000360502199 416393964 /nfs/dbraw/zinc/39/39/64/416393964.db2.gz CCGHXHSEXGPXQM-KGLIPLIRSA-N 0 0 315.377 0.787 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NCC2(C(N)=O)CCCC2)n1 ZINC000360529957 416394712 /nfs/dbraw/zinc/39/47/12/416394712.db2.gz TTZSBZJYIPTLPE-UHFFFAOYSA-N 0 0 308.386 1.200 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000360591557 416398217 /nfs/dbraw/zinc/39/82/17/416398217.db2.gz PURORKFMPJJLKN-CYBMUJFWSA-N 0 0 305.330 0.398 10 0 DCAERN COC[C@H](C)[C@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000360629300 416400363 /nfs/dbraw/zinc/40/03/63/416400363.db2.gz REDPSJDFLZQZDH-RYUDHWBXSA-N 0 0 320.455 0.693 10 0 DCAERN COCCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360825914 416412514 /nfs/dbraw/zinc/41/25/14/416412514.db2.gz QKJRBLNVJYAVSW-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN COC(=O)c1cn(C2CCN(Cc3ncccn3)CC2)nn1 ZINC000361762218 416491148 /nfs/dbraw/zinc/49/11/48/416491148.db2.gz ADGQUASJDZJTOB-UHFFFAOYSA-N 0 0 302.338 0.692 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCC(C)(C)C(N)=O ZINC000361699954 416479818 /nfs/dbraw/zinc/47/98/18/416479818.db2.gz DPAMBVCWROCPRM-UHFFFAOYSA-N 0 0 309.370 0.110 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1C ZINC000583623560 416480839 /nfs/dbraw/zinc/48/08/39/416480839.db2.gz JICSZVZWGIFBHR-ZIAGYGMSSA-N 0 0 321.425 0.987 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)[C@@]12CCC(=O)N1CCS2 ZINC000533186676 416482077 /nfs/dbraw/zinc/48/20/77/416482077.db2.gz KCWRJVVASVUMDU-CJNGLKHVSA-N 0 0 320.414 0.944 10 0 DCAERN CCOc1cccc(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)c1 ZINC000434560300 416484214 /nfs/dbraw/zinc/48/42/14/416484214.db2.gz VPJZQBCAFXEPJQ-AWEZNQCLSA-N 0 0 321.377 0.124 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3ccccn32)[C@H]1OC ZINC000361229446 416426796 /nfs/dbraw/zinc/42/67/96/416426796.db2.gz ANJMNNQFRYHTDT-MISXGVKJSA-N 0 0 319.365 0.721 10 0 DCAERN COc1cccc(CCNC(=O)NCC2(O)CCOCC2)n1 ZINC000361486047 416440880 /nfs/dbraw/zinc/44/08/80/416440880.db2.gz PZWMSPCWRRBPJH-UHFFFAOYSA-N 0 0 309.366 0.473 10 0 DCAERN C/C=C/C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)OCC ZINC000361546375 416445897 /nfs/dbraw/zinc/44/58/97/416445897.db2.gz SLEHWQQLRAALNB-MALLOTDXSA-N 0 0 305.396 0.825 10 0 DCAERN C/C=C/C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OCC ZINC000361548584 416446006 /nfs/dbraw/zinc/44/60/06/416446006.db2.gz ZRONDOGBBGWNOQ-OGOUPESXSA-N 0 0 305.334 0.808 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)OCC ZINC000361551149 416446608 /nfs/dbraw/zinc/44/66/08/416446608.db2.gz OMVMYGZVRGUGOY-XVMAMZMSSA-N 0 0 311.426 0.636 10 0 DCAERN C/C=C/C[C@H](NC(=O)c1ccc(C(N)=O)nc1)C(=O)OCC ZINC000361548585 416447004 /nfs/dbraw/zinc/44/70/04/416447004.db2.gz ZRONDOGBBGWNOQ-PYEVWLCESA-N 0 0 305.334 0.808 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nnc(C)o2)c1 ZINC000532656434 416448502 /nfs/dbraw/zinc/44/85/02/416448502.db2.gz DZWCUYXVGWZYOD-MRVPVSSYSA-N 0 0 324.362 0.777 10 0 DCAERN CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458244324 416448904 /nfs/dbraw/zinc/44/89/04/416448904.db2.gz CVXSAHLNXDWOIK-GJZGRUSLSA-N 0 0 317.393 0.960 10 0 DCAERN C[C@@H](CNC(=O)C(=O)c1cnn(C(C)(C)C)c1)S(C)(=O)=O ZINC000532825302 416459967 /nfs/dbraw/zinc/45/99/67/416459967.db2.gz UCDFUCCJUVXIHG-VIFPVBQESA-N 0 0 315.395 0.370 10 0 DCAERN C[C@H](C(=O)NCC[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000361919698 416522087 /nfs/dbraw/zinc/52/20/87/416522087.db2.gz UCWRRSJTLJZURM-MNOVXSKESA-N 0 0 313.375 0.766 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(Cc2cnnn2CC)CC1 ZINC000459281320 416531861 /nfs/dbraw/zinc/53/18/61/416531861.db2.gz CCDRMXUMFKKBGV-CYBMUJFWSA-N 0 0 308.430 0.330 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3cc(C)ncn3)CC2)[nH]1 ZINC000536205226 416536202 /nfs/dbraw/zinc/53/62/02/416536202.db2.gz UYLQYUFEWVHZGT-UHFFFAOYSA-N 0 0 301.354 0.170 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000435845749 416537893 /nfs/dbraw/zinc/53/78/93/416537893.db2.gz MXGCUUXUASFDNW-GUYCJALGSA-N 0 0 322.405 0.609 10 0 DCAERN NC(=O)c1cccc(NC(=O)NCC(=O)NC2CCCCC2)n1 ZINC000435818784 416538552 /nfs/dbraw/zinc/53/85/52/416538552.db2.gz QUSKHNBMEBWAEJ-UHFFFAOYSA-N 0 0 319.365 0.751 10 0 DCAERN Cn1cnn(CC(=O)Nc2nc(C(F)(F)F)cs2)c1=O ZINC000537753234 416562085 /nfs/dbraw/zinc/56/20/85/416562085.db2.gz XYYXZTFKFZPSPZ-UHFFFAOYSA-N 0 0 307.257 0.696 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](COc2ccccc2)C1 ZINC000361983470 416540745 /nfs/dbraw/zinc/54/07/45/416540745.db2.gz IUWLRDMXJGKLFM-OCCSQVGLSA-N 0 0 321.377 0.610 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCSC[C@H]2CCO)C1 ZINC000536647884 416547592 /nfs/dbraw/zinc/54/75/92/416547592.db2.gz LLVQTWVVSQSMOD-WDEREUQCSA-N 0 0 301.412 0.104 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)C1 ZINC000471940156 416552332 /nfs/dbraw/zinc/55/23/32/416552332.db2.gz NXCRQUHRSHWIAO-ZCFIWIBFSA-N 0 0 318.259 0.770 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000434741758 416493722 /nfs/dbraw/zinc/49/37/22/416493722.db2.gz ISAUEWVLMBBTKZ-CKYFFXLPSA-N 0 0 306.366 0.982 10 0 DCAERN C[C@@H](CCO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434810274 416497610 /nfs/dbraw/zinc/49/76/10/416497610.db2.gz XRSFODNAECKASH-JTQLQIEISA-N 0 0 309.366 1.332 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCSC[C@H]1CCO ZINC000534343840 416502647 /nfs/dbraw/zinc/50/26/47/416502647.db2.gz PEDUUGQLQOFCKE-GFCCVEGCSA-N 0 0 313.423 0.742 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N[C@H]3CCOC3)no2)CCCC1 ZINC000434886781 416502672 /nfs/dbraw/zinc/50/26/72/416502672.db2.gz HRYIZOZWLVKZJC-JTQLQIEISA-N 0 0 307.350 1.350 10 0 DCAERN CCOC1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCCC1 ZINC000458851649 416507837 /nfs/dbraw/zinc/50/78/37/416507837.db2.gz LGZLJPIKNWZBFW-GFCCVEGCSA-N 0 0 311.386 0.288 10 0 DCAERN Cc1cnc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000534809030 416508143 /nfs/dbraw/zinc/50/81/43/416508143.db2.gz OBFDHVVAUIZKRF-CYBMUJFWSA-N 0 0 303.410 0.570 10 0 DCAERN Cc1cc(C)cc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000535071974 416515659 /nfs/dbraw/zinc/51/56/59/416515659.db2.gz RLHYPERSWBVUCJ-LLVKDONJSA-N 0 0 300.380 0.475 10 0 DCAERN CCN1C[C@@H](NC(=O)N2CCSC[C@H]2CCO)CC1=O ZINC000459018567 416517901 /nfs/dbraw/zinc/51/79/01/416517901.db2.gz HORIWCMBUCRTRY-WDEREUQCSA-N 0 0 301.412 0.117 10 0 DCAERN COCCC1(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCC1 ZINC000362169789 416563823 /nfs/dbraw/zinc/56/38/23/416563823.db2.gz KZDLXXAZZCRDOJ-UHFFFAOYSA-N 0 0 323.397 1.047 10 0 DCAERN O=C(NC[C@H]1CCCCS1(=O)=O)c1cccc2ncnn21 ZINC000541571501 416607495 /nfs/dbraw/zinc/60/74/95/416607495.db2.gz VADNTHKTGOQQMY-SNVBAGLBSA-N 0 0 308.363 0.426 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1O ZINC000436716759 416567733 /nfs/dbraw/zinc/56/77/33/416567733.db2.gz QWWRIGPSFMMNGG-GHMZBOCLSA-N 0 0 322.361 0.887 10 0 DCAERN CS(=O)(=O)NCC1CCN(C(=O)c2ccccc2O)CC1 ZINC000436861374 416571770 /nfs/dbraw/zinc/57/17/70/416571770.db2.gz TZQOVRJWUQRVNA-UHFFFAOYSA-N 0 0 312.391 0.794 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCSC[C@H]1CCO ZINC000539312645 416577242 /nfs/dbraw/zinc/57/72/42/416577242.db2.gz NJDGPWAZRACVHZ-UPJWGTAASA-N 0 0 318.439 0.690 10 0 DCAERN O=C1NCCN(C[C@H](O)COC[C@H]2CCCO2)c2ccccc21 ZINC000539097505 416577539 /nfs/dbraw/zinc/57/75/39/416577539.db2.gz YCIJJTMFHPJVHX-UONOGXRCSA-N 0 0 320.389 0.793 10 0 DCAERN Cc1nccc(N2CCN(C(=O)c3cnc(C)nc3N)CC2)n1 ZINC000546898879 416677680 /nfs/dbraw/zinc/67/76/80/416677680.db2.gz ASPFHJSEOUAABU-UHFFFAOYSA-N 0 0 313.365 0.428 10 0 DCAERN C[C@H](O)CNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000441755786 416680715 /nfs/dbraw/zinc/68/07/15/416680715.db2.gz DOFAXTLXYJLMDQ-JTQLQIEISA-N 0 0 304.354 0.836 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@](C)(O)C(F)(F)F)n1 ZINC000547848063 416683328 /nfs/dbraw/zinc/68/33/28/416683328.db2.gz UXSFKVIJGMZXIU-SNVBAGLBSA-N 0 0 309.292 1.468 10 0 DCAERN CSCCCN(C)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440135311 416627665 /nfs/dbraw/zinc/62/76/65/416627665.db2.gz OCSIAIJTGLOOGP-UHFFFAOYSA-N 0 0 313.427 1.183 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000425077701 416683819 /nfs/dbraw/zinc/68/38/19/416683819.db2.gz UXIMOOWQJYNDFE-CYBMUJFWSA-N 0 0 317.345 0.547 10 0 DCAERN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543428057 416641073 /nfs/dbraw/zinc/64/10/73/416641073.db2.gz ZTRWWSXQOKDTGC-WDEREUQCSA-N 0 0 322.390 0.815 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000441128980 416661548 /nfs/dbraw/zinc/66/15/48/416661548.db2.gz FPIVTGOWTGGQCZ-CHNSCGDPSA-N 0 0 316.427 0.001 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000441187430 416662854 /nfs/dbraw/zinc/66/28/54/416662854.db2.gz GVULJALZXYRYTJ-KPWVOAKYSA-N 0 0 322.386 0.587 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000441187434 416662882 /nfs/dbraw/zinc/66/28/82/416662882.db2.gz GVULJALZXYRYTJ-RKFFSXRUSA-N 0 0 322.386 0.587 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000441233246 416666580 /nfs/dbraw/zinc/66/65/80/416666580.db2.gz MLRSNSTVANNKNU-VERVWZFWSA-N 0 0 322.386 0.587 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000545216764 416667462 /nfs/dbraw/zinc/66/74/62/416667462.db2.gz KDQZNIHRAVBNLF-LJISPDSOSA-N 0 0 303.399 0.015 10 0 DCAERN COC[C@@H]1CN(C(=O)NCCc2cccc(OC)n2)CCO1 ZINC000441458538 416671816 /nfs/dbraw/zinc/67/18/16/416671816.db2.gz ORFWRZRNUFHDMR-ZDUSSCGKSA-N 0 0 309.366 0.690 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CC(n3ccnn3)C2)c1 ZINC000368600720 416672916 /nfs/dbraw/zinc/67/29/16/416672916.db2.gz CPOJAUDBDIVTQY-UHFFFAOYSA-N 0 0 320.374 0.769 10 0 DCAERN O=C(N1CC2(CCC2)[C@@H]1C1CC1)C1(n2cnnn2)CCOCC1 ZINC000615037538 416743780 /nfs/dbraw/zinc/74/37/80/416743780.db2.gz MMRMGKPKNBKKPS-ZDUSSCGKSA-N 0 0 317.393 0.970 10 0 DCAERN CCNC(=O)N1CC[C@@H](Nc2cnc(C(=O)OCC)cn2)C1 ZINC000548286778 416685819 /nfs/dbraw/zinc/68/58/19/416685819.db2.gz LEVCZRDFXRTGKB-SNVBAGLBSA-N 0 0 307.354 0.869 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442054089 416685866 /nfs/dbraw/zinc/68/58/66/416685866.db2.gz JDFJWJGEKGWFTQ-LLVKDONJSA-N 0 0 324.402 0.960 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H](C)CS(C)(=O)=O)no1 ZINC000442164531 416688246 /nfs/dbraw/zinc/68/82/46/416688246.db2.gz FDMINXSKVYHFAP-MRVPVSSYSA-N 0 0 318.399 0.599 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000442501766 416696605 /nfs/dbraw/zinc/69/66/05/416696605.db2.gz UOMFYJWAMBTKEL-YGOYTEALSA-N 0 0 323.315 0.752 10 0 DCAERN COc1cccc(C[C@H](O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC000442683274 416704795 /nfs/dbraw/zinc/70/47/95/416704795.db2.gz VFMOIFILAUGQAN-LRDDRELGSA-N 0 0 320.389 0.678 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCC(=O)N[C@H]2C)no1 ZINC000442706250 416707127 /nfs/dbraw/zinc/70/71/27/416707127.db2.gz CVEATITUKIOCAS-DTWKUNHWSA-N 0 0 309.370 0.833 10 0 DCAERN CO[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000368977202 416712535 /nfs/dbraw/zinc/71/25/35/416712535.db2.gz CTNRJSDGJCQPBA-WPRPVWTQSA-N 0 0 308.338 0.660 10 0 DCAERN COCc1cncc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)c1 ZINC000614889731 416720861 /nfs/dbraw/zinc/72/08/61/416720861.db2.gz POVGZIMEQCYBGN-CHWSQXEVSA-N 0 0 308.334 0.367 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CC[C@H](CO)[C@H](O)C1 ZINC000516616722 416729402 /nfs/dbraw/zinc/72/94/02/416729402.db2.gz OHIFAZKAOUCWEQ-DGCLKSJQSA-N 0 0 303.318 0.552 10 0 DCAERN CCN(CC(=O)OC)S(=O)(=O)c1csnc1C(=O)OC ZINC000443067355 416729666 /nfs/dbraw/zinc/72/96/66/416729666.db2.gz JEUFTTJKGGNUPB-UHFFFAOYSA-N 0 0 322.364 0.113 10 0 DCAERN CC(C)N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000557349690 416731333 /nfs/dbraw/zinc/73/13/33/416731333.db2.gz JYUDEABRAHIJQP-UHFFFAOYSA-N 0 0 315.377 0.825 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)c2cnc3n[nH]nc3c2)no1 ZINC000443187450 416734195 /nfs/dbraw/zinc/73/41/95/416734195.db2.gz OFTSYHCDHXQEBS-UHFFFAOYSA-N 0 0 301.310 0.963 10 0 DCAERN COCC1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCOCC1 ZINC000557538968 416738167 /nfs/dbraw/zinc/73/81/67/416738167.db2.gz ZDCZKMCXRDHAKB-AWEZNQCLSA-N 0 0 322.409 0.960 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623276486 416789318 /nfs/dbraw/zinc/78/93/18/416789318.db2.gz CGFZAYQGWHDKDA-LSDHHAIUSA-N 0 0 315.373 0.827 10 0 DCAERN CCS(=O)(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000443996005 416798226 /nfs/dbraw/zinc/79/82/26/416798226.db2.gz XRIJDVHBLQTFAP-LLVKDONJSA-N 0 0 324.468 0.615 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2c1CCC2 ZINC000517467072 416804345 /nfs/dbraw/zinc/80/43/45/416804345.db2.gz ZDGYJGLOYGQPNY-UWVGGRQHSA-N 0 0 306.366 0.834 10 0 DCAERN CNS(=O)(=O)c1ccccc1N1CCC[C@@H]1Cn1cncn1 ZINC000641357100 416807545 /nfs/dbraw/zinc/80/75/45/416807545.db2.gz WLRMWLGDGRZRTF-GFCCVEGCSA-N 0 0 321.406 0.855 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](COC)C1 ZINC000369631581 416809312 /nfs/dbraw/zinc/80/93/12/416809312.db2.gz ZMZMLVIMYRGTGP-WDEREUQCSA-N 0 0 302.396 0.172 10 0 DCAERN COCC[C@@]1(NC(=O)Nc2ncn(C(C)(C)C)n2)CCOC1 ZINC000559861378 416828077 /nfs/dbraw/zinc/82/80/77/416828077.db2.gz XBAMQUMSYOHFSH-CQSZACIVSA-N 0 0 311.386 1.350 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCc1nnc2n1CCC2)C1CCCC1 ZINC000517976281 416834065 /nfs/dbraw/zinc/83/40/65/416834065.db2.gz IUFYZRXBCLXHKK-HNNXBMFYSA-N 0 0 319.409 0.578 10 0 DCAERN C[C@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)c1ncn(C)n1 ZINC000444435072 416841434 /nfs/dbraw/zinc/84/14/34/416841434.db2.gz SUIRHUWKLRTXOH-VIFPVBQESA-N 0 0 304.354 0.827 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)C[C@@H](C(N)=O)O1 ZINC000623554193 416842146 /nfs/dbraw/zinc/84/21/46/416842146.db2.gz VBEMOULEPDKAIW-JQWIXIFHSA-N 0 0 321.381 0.004 10 0 DCAERN O=C(C[C@H]1OC(=O)c2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000369903477 416846090 /nfs/dbraw/zinc/84/60/90/416846090.db2.gz YNHQDCNWUAYPDU-SWLSCSKDSA-N 0 0 316.357 0.831 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ncn(C)n1 ZINC000446345725 416923786 /nfs/dbraw/zinc/92/37/86/416923786.db2.gz DVJFGPOJSSBKKW-LLVKDONJSA-N 0 0 301.350 0.292 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000371977562 416926321 /nfs/dbraw/zinc/92/63/21/416926321.db2.gz DRIUPPSGVMFYAK-MBNYWOFBSA-N 0 0 319.423 0.752 10 0 DCAERN Cn1cc([C@H](NC(=O)N2CCS(=O)CC2)C(F)(F)F)cn1 ZINC000446454338 416929553 /nfs/dbraw/zinc/92/95/53/416929553.db2.gz BVDNMHMJHGDBHC-VIFPVBQESA-N 0 0 324.328 0.797 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1csc(-c2cnn(C)c2)n1 ZINC000616028163 416953943 /nfs/dbraw/zinc/95/39/43/416953943.db2.gz HRYKTEVZQOGSER-NWDGAFQWSA-N 0 0 322.390 0.652 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CC2)c1 ZINC000446906384 416954550 /nfs/dbraw/zinc/95/45/50/416954550.db2.gz NMCDJFPSZQRLPC-UHFFFAOYSA-N 0 0 311.363 0.154 10 0 DCAERN Cn1cc([C@@H](NC(=O)CN2CCCNC2=O)C(F)(F)F)cn1 ZINC000520499032 416965594 /nfs/dbraw/zinc/96/55/94/416965594.db2.gz MZXHRCXBKQWJLX-SNVBAGLBSA-N 0 0 319.287 0.555 10 0 DCAERN CCO[C@@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C(C)C ZINC000447756085 417023319 /nfs/dbraw/zinc/02/33/19/417023319.db2.gz VJLZCOCKGKPWAR-NHYWBVRUSA-N 0 0 311.382 0.638 10 0 DCAERN Cn1ccnc(N[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1=O ZINC000376480045 417029969 /nfs/dbraw/zinc/02/99/69/417029969.db2.gz ZZHUDCFLINERIT-AWEZNQCLSA-N 0 0 312.373 1.036 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n1 ZINC000447223532 416972737 /nfs/dbraw/zinc/97/27/37/416972737.db2.gz RTJAWLFGUCWNSM-NSHDSACASA-N 0 0 309.391 0.655 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCC(=O)NC2CC2)c1 ZINC000447260304 416979041 /nfs/dbraw/zinc/97/90/41/416979041.db2.gz JZCHGMCHXOXPSC-UHFFFAOYSA-N 0 0 309.297 0.168 10 0 DCAERN O=C(NC[C@@H]1COCCO1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000565613576 417000885 /nfs/dbraw/zinc/00/08/85/417000885.db2.gz XJVOQGBDZVIJDH-NWDGAFQWSA-N 0 0 322.365 0.861 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCC[C@@H](C)O)c1 ZINC000447620728 417011636 /nfs/dbraw/zinc/01/16/36/417011636.db2.gz VQSVJUKELDUMSU-SNVBAGLBSA-N 0 0 300.380 0.486 10 0 DCAERN CNc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000375842005 417014268 /nfs/dbraw/zinc/01/42/68/417014268.db2.gz UTWXNAVYCLEUEI-CYBMUJFWSA-N 0 0 318.377 0.633 10 0 DCAERN NC(=O)C[C@H](N)C(=O)NCc1ccsc1Br ZINC000388417662 417097910 /nfs/dbraw/zinc/09/79/10/417097910.db2.gz FXHRRGUMPYYWSF-LURJTMIESA-N 0 0 306.185 0.330 10 0 DCAERN CCCCc1cc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448114800 417061057 /nfs/dbraw/zinc/06/10/57/417061057.db2.gz XUCQRKIUDSRFHQ-INIZCTEOSA-N 0 0 318.377 1.304 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N(C)c2cccc(O)c2)cn1C ZINC000522957565 417071649 /nfs/dbraw/zinc/07/16/49/417071649.db2.gz JVWGTBLIJDWRTH-UHFFFAOYSA-N 0 0 323.374 0.915 10 0 DCAERN CO[C@H]1O[C@@H](COC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000616587295 417081651 /nfs/dbraw/zinc/08/16/51/417081651.db2.gz DMXZHMAFWXQZAQ-YYHQMBLXSA-N 0 0 322.285 0.122 10 0 DCAERN NS(=O)(=O)N1CCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616615232 417083155 /nfs/dbraw/zinc/08/31/55/417083155.db2.gz IIBCSTKZJLUKNY-NSHDSACASA-N 0 0 304.393 0.476 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616592508 417083854 /nfs/dbraw/zinc/08/38/54/417083854.db2.gz FCVFWAHSZJSXCG-ZDUSSCGKSA-N 0 0 307.375 0.854 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616592822 417084360 /nfs/dbraw/zinc/08/43/60/417084360.db2.gz GPWVQEHONKUCSU-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1c[nH]nc1N ZINC000616641318 417086558 /nfs/dbraw/zinc/08/65/58/417086558.db2.gz ZDMQNHXCPOIOLA-NSHDSACASA-N 0 0 311.386 0.890 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@H](c2ncccn2)C1 ZINC000616634422 417087764 /nfs/dbraw/zinc/08/77/64/417087764.db2.gz SNUYEEIEZHAVBK-LBPRGKRZSA-N 0 0 307.398 0.948 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616658600 417088951 /nfs/dbraw/zinc/08/89/51/417088951.db2.gz BEDZOUTUQBCVIV-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](S(C)(=O)=O)C1 ZINC000616664283 417089892 /nfs/dbraw/zinc/08/98/92/417089892.db2.gz UGUGBZQHRJNUPI-LLVKDONJSA-N 0 0 322.427 0.257 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616659839 417090608 /nfs/dbraw/zinc/09/06/08/417090608.db2.gz RTOXPAAPAPMZRM-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3cnccc3c2)C1 ZINC000616663812 417091305 /nfs/dbraw/zinc/09/13/05/417091305.db2.gz OVODAUSKTQUOAK-CQSZACIVSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616659719 417091382 /nfs/dbraw/zinc/09/13/82/417091382.db2.gz QPRBFFGAHDIFMB-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616773098 417110555 /nfs/dbraw/zinc/11/05/55/417110555.db2.gz LUOBWKUUVGXJJL-DYEKYZERSA-N 0 0 319.365 0.103 10 0 DCAERN CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637461563 417120052 /nfs/dbraw/zinc/12/00/52/417120052.db2.gz PTIYXEUTIHUAKG-ZDUSSCGKSA-N 0 0 316.361 0.345 10 0 DCAERN CC(CO)(CO)CNC(=O)c1nscc1Br ZINC000404955166 417120199 /nfs/dbraw/zinc/12/01/99/417120199.db2.gz RJABNPCJMNMRLB-UHFFFAOYSA-N 0 0 309.185 0.626 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)CCN1C(=O)CCC1=O ZINC000524835672 417121047 /nfs/dbraw/zinc/12/10/47/417121047.db2.gz ATBKAUSBEFRVFA-UHFFFAOYSA-N 0 0 322.321 0.372 10 0 DCAERN O=C(c1nscc1Br)N1CCO[C@H](CO)C1 ZINC000404751212 417121075 /nfs/dbraw/zinc/12/10/75/417121075.db2.gz WOIFMSBQAZNBNH-LURJTMIESA-N 0 0 307.169 0.739 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000525233029 417130709 /nfs/dbraw/zinc/13/07/09/417130709.db2.gz WRLTUZGRTXDKPD-QWHCGFSZSA-N 0 0 307.398 0.993 10 0 DCAERN CCn1nnc(C)c1CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000449261345 417132183 /nfs/dbraw/zinc/13/21/83/417132183.db2.gz ZSKULCZXPPDDHB-UHFFFAOYSA-N 0 0 309.414 0.676 10 0 DCAERN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408032257 417132362 /nfs/dbraw/zinc/13/23/62/417132362.db2.gz UIRSHBOZDJZYBR-BJDJZHNGSA-N 0 0 323.386 0.453 10 0 DCAERN CN(C)C(=O)CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408038976 417137157 /nfs/dbraw/zinc/13/71/57/417137157.db2.gz QLSUWYOMRMQXTJ-YPMHNXCESA-N 0 0 307.394 0.467 10 0 DCAERN OCC[C@@H]1CSCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000568469136 417138856 /nfs/dbraw/zinc/13/88/56/417138856.db2.gz HISFNLYKJMINBQ-MRVPVSSYSA-N 0 0 311.333 0.535 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CC1CCCCC1 ZINC000408106496 417139184 /nfs/dbraw/zinc/13/91/84/417139184.db2.gz YQPNJAJEWGYWTL-GFCCVEGCSA-N 0 0 324.468 0.649 10 0 DCAERN Cc1csc2ncc(C(=O)N3CC[C@H](C)[C@H](O)C3)c(=O)n12 ZINC000408118946 417142152 /nfs/dbraw/zinc/14/21/52/417142152.db2.gz ASEMHULKISPAMJ-GZMMTYOYSA-N 0 0 307.375 0.907 10 0 DCAERN COc1ccccc1CCNC(=O)CNC(=O)c1ccnnc1 ZINC000437758413 287363419 /nfs/dbraw/zinc/36/34/19/287363419.db2.gz NEJQJEUCUZNDGO-UHFFFAOYSA-N 0 0 314.345 0.574 10 0 DCAERN COC(=O)Cn1cc(S(=O)(=O)NCCCC2CC2)cn1 ZINC000525702046 417143631 /nfs/dbraw/zinc/14/36/31/417143631.db2.gz QSRFNYLJEYSLGD-UHFFFAOYSA-N 0 0 301.368 0.525 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCCC1 ZINC000408238085 417148883 /nfs/dbraw/zinc/14/88/83/417148883.db2.gz SVSTYIBFJCEBCK-MNOVXSKESA-N 0 0 320.411 0.416 10 0 DCAERN CC1(C)CN(C(=O)COC[C@@H]2CCCO2)C[C@@]2(CCOC2)O1 ZINC000526036948 417177535 /nfs/dbraw/zinc/17/75/35/417177535.db2.gz YLUXCZDWUXNKDD-XJKSGUPXSA-N 0 0 313.394 0.979 10 0 DCAERN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1nnnn1C ZINC000450107791 417199596 /nfs/dbraw/zinc/19/95/96/417199596.db2.gz YPRSDRAZGGZTAH-NSHDSACASA-N 0 0 324.429 0.746 10 0 DCAERN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC000527115647 417213981 /nfs/dbraw/zinc/21/39/81/417213981.db2.gz PJCYJUSEUAPLID-OAHLLOKOSA-N 0 0 301.350 0.860 10 0 DCAERN O=S(=O)(N1C[C@@H](CO)[C@H](C(F)(F)F)C1)N1CCCCC1 ZINC000632670995 417221026 /nfs/dbraw/zinc/22/10/26/417221026.db2.gz DXEKJRNAGKHIJA-VHSXEESVSA-N 0 0 316.345 0.820 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382027 417283196 /nfs/dbraw/zinc/28/31/96/417283196.db2.gz GYSYNJULRVWFML-MRXNPFEDSA-N 0 0 323.368 0.387 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1C ZINC000569278512 417232665 /nfs/dbraw/zinc/23/26/65/417232665.db2.gz CDYYDDSCACQFMA-RKDXNWHRSA-N 0 0 302.334 0.113 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NS(=O)(=O)CC3CC3)[C@@H]2C1 ZINC000570239801 417329709 /nfs/dbraw/zinc/32/97/09/417329709.db2.gz GPOZBOBILZUJON-MJBXVCDLSA-N 0 0 300.424 0.963 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC000633295957 417401784 /nfs/dbraw/zinc/40/17/84/417401784.db2.gz YSVGSHKMTSVDRG-CHWSQXEVSA-N 0 0 314.407 0.033 10 0 DCAERN CC[C@@H](NC(=O)N[C@H](C)[C@H](C)OC)C(=O)N1CCOCC1 ZINC000570894638 417403193 /nfs/dbraw/zinc/40/31/93/417403193.db2.gz UNYOYBYTUMACTH-GRYCIOLGSA-N 0 0 301.387 0.346 10 0 DCAERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000643879168 417409285 /nfs/dbraw/zinc/40/92/85/417409285.db2.gz LNLAATPRUZBHNW-ZDUSSCGKSA-N 0 0 307.412 0.765 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000643879167 417409711 /nfs/dbraw/zinc/40/97/11/417409711.db2.gz LNLAATPRUZBHNW-CYBMUJFWSA-N 0 0 307.412 0.765 10 0 DCAERN CCN(C)C(=O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451660066 417375738 /nfs/dbraw/zinc/37/57/38/417375738.db2.gz DWRYOWHJAMJVLD-UHFFFAOYSA-N 0 0 305.378 0.782 10 0 DCAERN CC(=O)c1cc(C(=O)NCCn2cnccc2=O)c(C)nc1C ZINC000633556481 417451953 /nfs/dbraw/zinc/45/19/53/417451953.db2.gz CQJNEMLMYWZZAJ-UHFFFAOYSA-N 0 0 314.345 0.888 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC12COC2 ZINC000452228841 417459760 /nfs/dbraw/zinc/45/97/60/417459760.db2.gz OGTJJRRWTWZEBY-NSHDSACASA-N 0 0 306.318 0.439 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(CC)n[nH]2)CC12COC2 ZINC000452218369 417460145 /nfs/dbraw/zinc/46/01/45/417460145.db2.gz BNFFUNSMPAOECN-LLVKDONJSA-N 0 0 307.350 0.624 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cncs2)CC12COC2 ZINC000452264546 417462054 /nfs/dbraw/zinc/46/20/54/417462054.db2.gz OOHFJZSFLNMJKV-LLVKDONJSA-N 0 0 310.375 0.724 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)CC(=O)OC)CC12COC2 ZINC000452252069 417462675 /nfs/dbraw/zinc/46/26/75/417462675.db2.gz CZZYNCLSIYRFHA-WDEREUQCSA-N 0 0 313.350 0.224 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H]1C1CC1 ZINC000627589703 417465530 /nfs/dbraw/zinc/46/55/30/417465530.db2.gz XXPVRMLQSDOGEY-GFCCVEGCSA-N 0 0 309.410 0.807 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000633641680 417470474 /nfs/dbraw/zinc/47/04/74/417470474.db2.gz OSDLCSMWSRUORB-OLZOCXBDSA-N 0 0 310.398 0.212 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000633654808 417473047 /nfs/dbraw/zinc/47/30/47/417473047.db2.gz AWTOPCZQUVFTKV-GFCCVEGCSA-N 0 0 319.409 0.929 10 0 DCAERN COCC(COC)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000453959114 417538733 /nfs/dbraw/zinc/53/87/33/417538733.db2.gz OXEPOENWOSFKKQ-UHFFFAOYSA-N 0 0 322.361 0.728 10 0 DCAERN C[C@@H](CNC(=O)CCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000530294015 417562264 /nfs/dbraw/zinc/56/22/64/417562264.db2.gz LBODHENQYYUWKK-LBPRGKRZSA-N 0 0 323.393 0.433 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000627988532 417549728 /nfs/dbraw/zinc/54/97/28/417549728.db2.gz XXZFJADCCSMAHQ-BJHJDKERSA-N 0 0 317.345 0.550 10 0 DCAERN CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@@H](C)O ZINC000454462639 417562591 /nfs/dbraw/zinc/56/25/91/417562591.db2.gz NNCALMXLEUKXIP-SKDRFNHKSA-N 0 0 315.395 0.876 10 0 DCAERN Cn1cc(-c2c[nH]cc2C(=O)NC[C@@H](O)[C@H]2CCCO2)cn1 ZINC000529764954 417499094 /nfs/dbraw/zinc/49/90/94/417499094.db2.gz HTZNVFKZNFQNKN-ZIAGYGMSSA-N 0 0 304.350 0.685 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)s1 ZINC000633886298 417511871 /nfs/dbraw/zinc/51/18/71/417511871.db2.gz XZNCSQWBVHFKQN-KBPBESRZSA-N 0 0 321.358 0.471 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000627864029 417517677 /nfs/dbraw/zinc/51/76/77/417517677.db2.gz DNRKTRAVWFWGGM-CQSZACIVSA-N 0 0 319.361 0.275 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NCC(=O)N2CCCO2)c1 ZINC000627878018 417522028 /nfs/dbraw/zinc/52/20/28/417522028.db2.gz ZXAFPCGZHMDQNZ-UHFFFAOYSA-N 0 0 306.318 0.548 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000530521353 417582179 /nfs/dbraw/zinc/58/21/79/417582179.db2.gz QKEOKYARCDUNPM-UWVGGRQHSA-N 0 0 315.395 0.562 10 0 DCAERN c1ccc(Cn2nnnc2Sc2nccn3nnnc23)cc1 ZINC000530664165 417589387 /nfs/dbraw/zinc/58/93/87/417589387.db2.gz JHSFWPORDATTSM-UHFFFAOYSA-N 0 0 311.334 0.705 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N1Cc3ccccc3CO1)N(C)C2 ZINC000644469086 417589411 /nfs/dbraw/zinc/58/94/11/417589411.db2.gz NDDIQZFVOHMMPP-CQSZACIVSA-N 0 0 313.361 0.875 10 0 DCAERN CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000644507439 417604734 /nfs/dbraw/zinc/60/47/34/417604734.db2.gz ZSZINONJSWYLCD-OUAUKWLOSA-N 0 0 306.370 0.380 10 0 DCAERN CNC(=O)C[C@H](C)NC(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000455515307 417607044 /nfs/dbraw/zinc/60/70/44/417607044.db2.gz KFFDLBLHFJKNCA-NSHDSACASA-N 0 0 323.372 0.577 10 0 DCAERN c1c(CN2CCN(c3nccnn3)CC2)nnn1C1CCC1 ZINC000628389828 417616946 /nfs/dbraw/zinc/61/69/46/417616946.db2.gz WMDZTIRJLXBZOW-UHFFFAOYSA-N 0 0 300.370 0.510 10 0 DCAERN c1snnc1CNC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000628476956 417624835 /nfs/dbraw/zinc/62/48/35/417624835.db2.gz YVCJYMLOINTESK-CQSZACIVSA-N 0 0 305.407 0.924 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)CCCN2C(=O)CCC2=O)[nH]n1 ZINC000531761113 417638077 /nfs/dbraw/zinc/63/80/77/417638077.db2.gz VQCXBNXSDWIYAG-JTQLQIEISA-N 0 0 306.366 0.695 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCCn2ccnc2)[C@@H](C)C1 ZINC000531921347 417648782 /nfs/dbraw/zinc/64/87/82/417648782.db2.gz JLDFNCYIKKNQFO-ZDUSSCGKSA-N 0 0 307.398 0.926 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124479 417661211 /nfs/dbraw/zinc/66/12/11/417661211.db2.gz JBAAEYQSUDPGNG-LLVKDONJSA-N 0 0 313.398 0.886 10 0 DCAERN O=C(NCCn1ncnn1)Nc1ccc(N2CCCC2)nc1 ZINC000532230037 417667430 /nfs/dbraw/zinc/66/74/30/417667430.db2.gz OPXFYUQVRYZLAE-UHFFFAOYSA-N 0 0 302.342 0.490 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)nn1C ZINC000577197789 417671861 /nfs/dbraw/zinc/67/18/61/417671861.db2.gz UEBVTPJZTKSYEW-TVQRCGJNSA-N 0 0 312.320 1.171 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@]2(CO)CCCC(C)(C)C2)nn1 ZINC000628809747 417701731 /nfs/dbraw/zinc/70/17/31/417701731.db2.gz ONHXBISATIGELV-OAHLLOKOSA-N 0 0 308.382 0.928 10 0 DCAERN CC(=O)N(C)CC(=O)NCC1(OCCO)CCC(F)(F)CC1 ZINC000628659595 417678159 /nfs/dbraw/zinc/67/81/59/417678159.db2.gz HYHJIBTWIIYRQK-UHFFFAOYSA-N 0 0 322.352 0.538 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1COCCC1=O ZINC000628888326 417713096 /nfs/dbraw/zinc/71/30/96/417713096.db2.gz WSXOPYGCADWHKJ-HNNXBMFYSA-N 0 0 318.373 0.552 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458133063 417722702 /nfs/dbraw/zinc/72/27/02/417722702.db2.gz PVSFGVSPWOWKGL-CYBMUJFWSA-N 0 0 318.333 0.164 10 0 DCAERN CC[C@@H]1CCCC[C@H]1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458132841 417723075 /nfs/dbraw/zinc/72/30/75/417723075.db2.gz HXTPXLGFVIAJQP-HZSPNIEDSA-N 0 0 310.398 0.741 10 0 DCAERN Cc1cc(C)c(CC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000458123886 417723879 /nfs/dbraw/zinc/72/38/79/417723879.db2.gz AEJWRPJYFMMWMO-CQSZACIVSA-N 0 0 302.378 0.923 10 0 DCAERN CCOc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458123003 417724163 /nfs/dbraw/zinc/72/41/63/417724163.db2.gz ICWDDZFESGBAKE-LBPRGKRZSA-N 0 0 320.349 0.233 10 0 DCAERN COc1ccc([C@@H](CO)CNC(=O)COc2cnn(C)c2)cc1 ZINC000458220534 417730091 /nfs/dbraw/zinc/73/00/91/417730091.db2.gz NXEDZMPJJRLMLR-CYBMUJFWSA-N 0 0 319.361 0.700 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@H]2COCCN2C)c1 ZINC000628927271 417733018 /nfs/dbraw/zinc/73/30/18/417733018.db2.gz ZWDXKKMMRMZQHK-AWEZNQCLSA-N 0 0 306.362 0.715 10 0 DCAERN COCc1nc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)cs1 ZINC000657605923 417882793 /nfs/dbraw/zinc/88/27/93/417882793.db2.gz VKCFPQHTLLUZSU-VHSXEESVSA-N 0 0 306.409 0.191 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)n(C)c1 ZINC000664281549 418110708 /nfs/dbraw/zinc/11/07/08/418110708.db2.gz GEBPNBNCMAVWLG-XBFCOCLRSA-N 0 0 302.334 0.529 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1S(C)(=O)=O ZINC000664266787 418106804 /nfs/dbraw/zinc/10/68/04/418106804.db2.gz FPQSOLBHCPCKIN-QWRGUYRKSA-N 0 0 319.404 0.314 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000664267859 418107040 /nfs/dbraw/zinc/10/70/40/418107040.db2.gz FAGTZFXFUSMIAY-RKDXNWHRSA-N 0 0 308.306 0.907 10 0 DCAERN CCN(C)C(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000460079804 287513876 /nfs/dbraw/zinc/51/38/76/287513876.db2.gz UTTNECKQGDUTJT-UHFFFAOYSA-N 0 0 309.410 0.716 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)C[C@@H](C)CC ZINC000487335638 287534835 /nfs/dbraw/zinc/53/48/35/287534835.db2.gz KCIWGHUHZWNJJK-AXFHLTTASA-N 0 0 322.427 0.408 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)C[C@H](C)CC ZINC000487335641 287534891 /nfs/dbraw/zinc/53/48/91/287534891.db2.gz KCIWGHUHZWNJJK-VWYCJHECSA-N 0 0 322.427 0.408 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)=O)o1 ZINC000488148490 287546455 /nfs/dbraw/zinc/54/64/55/287546455.db2.gz KDAGNBSRYFANLN-DTWKUNHWSA-N 0 0 324.333 0.668 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1snnc1C ZINC000488146385 287546520 /nfs/dbraw/zinc/54/65/20/287546520.db2.gz HBKGGMRGWSQOLA-YUMQZZPRSA-N 0 0 314.367 0.033 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C2CC2)CC1 ZINC000299318088 229047651 /nfs/dbraw/zinc/04/76/51/229047651.db2.gz DJBMCAMTTJFPNF-UHFFFAOYSA-N 0 0 316.361 0.755 10 0 DCAERN CCn1nccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2CCOC ZINC000299741107 229376508 /nfs/dbraw/zinc/37/65/08/229376508.db2.gz CUISRKUKEALMFG-KGLIPLIRSA-N 0 0 307.398 0.518 10 0 DCAERN CCC1(CC)CN(C(=O)C(=O)Nc2ccon2)CC[S@]1=O ZINC000185560829 261120330 /nfs/dbraw/zinc/12/03/30/261120330.db2.gz NVZONSVZGIAVJA-OAQYLSRUSA-N 0 0 313.379 0.763 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cccc(-n3cccn3)n2)c1 ZINC000186674861 261121063 /nfs/dbraw/zinc/12/10/63/261121063.db2.gz MXHZNIRCZFVYCJ-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)CS(C)(=O)=O)CC[S@@]1=O ZINC000186769851 261121876 /nfs/dbraw/zinc/12/18/76/261121876.db2.gz IDRKHGZFDWWBLQ-WYRIXSBYSA-N 0 0 323.480 0.817 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000188432219 261127621 /nfs/dbraw/zinc/12/76/21/261127621.db2.gz MHVTZOMPBLUVNC-SECBINFHSA-N 0 0 319.390 0.846 10 0 DCAERN Cc1cc(CCNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C)c1O ZINC000188750667 261130709 /nfs/dbraw/zinc/13/07/09/261130709.db2.gz ZCXITXGFTODTKI-LLVKDONJSA-N 0 0 314.407 0.605 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1cc(C(N)=O)co1 ZINC000190755136 261135864 /nfs/dbraw/zinc/13/58/64/261135864.db2.gz TWMJCVRPACPGNU-SECBINFHSA-N 0 0 309.366 0.936 10 0 DCAERN COC(=O)CN1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191982761 261137918 /nfs/dbraw/zinc/13/79/18/261137918.db2.gz TWTRLXJHMUBPGH-UHFFFAOYSA-N 0 0 300.399 0.897 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)NCCc2nc(C)no2)C1 ZINC000194104731 261145120 /nfs/dbraw/zinc/14/51/20/261145120.db2.gz ABUDQVYBXIQATJ-LBPRGKRZSA-N 0 0 312.370 0.758 10 0 DCAERN O=C(NCc1ccccc1CN1CCCC1=O)[C@@H]1CNC(=O)C1 ZINC000194792411 261148804 /nfs/dbraw/zinc/14/88/04/261148804.db2.gz LALKGTFQUXRDEI-AWEZNQCLSA-N 0 0 315.373 0.561 10 0 DCAERN O=C(NCc1cccc(CN2CCCC2=O)c1)[C@H]1CNC(=O)C1 ZINC000194802089 261148839 /nfs/dbraw/zinc/14/88/39/261148839.db2.gz FYYBLESVUYLTNE-CQSZACIVSA-N 0 0 315.373 0.561 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CCn2ccnc2C1 ZINC000234573137 261155081 /nfs/dbraw/zinc/15/50/81/261155081.db2.gz SNODNBKQSNZXIS-QWRGUYRKSA-N 0 0 313.379 0.370 10 0 DCAERN CCn1ncnc1CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000357928842 261602226 /nfs/dbraw/zinc/60/22/26/261602226.db2.gz LKVWTRDOBNIKIS-UHFFFAOYSA-N 0 0 323.378 0.136 10 0 DCAERN CCN(CC)C(=O)CN1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000358854653 261707178 /nfs/dbraw/zinc/70/71/78/261707178.db2.gz PYDIMHNMJRTELP-HNNXBMFYSA-N 0 0 311.426 0.424 10 0 DCAERN CN1CCC[C@@H](NC(=O)NCc2nnc3ccccn32)C1=O ZINC000360377808 261827426 /nfs/dbraw/zinc/82/74/26/261827426.db2.gz NXDYIQBIKKHWNB-SNVBAGLBSA-N 0 0 302.338 0.149 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000360493655 261838698 /nfs/dbraw/zinc/83/86/98/261838698.db2.gz YHWSZVHSHKYAFG-GFCCVEGCSA-N 0 0 314.349 0.482 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360541493 261843058 /nfs/dbraw/zinc/84/30/58/261843058.db2.gz GEZMHXOEMYWMBW-DOMZBBRYSA-N 0 0 306.362 0.817 10 0 DCAERN C[C@@H](NC(=O)NCc1ccc2cc[nH]c2n1)C(=O)NCCF ZINC000360717650 261867043 /nfs/dbraw/zinc/86/70/43/261867043.db2.gz ZVXJTEKHENKDHF-SECBINFHSA-N 0 0 307.329 0.836 10 0 DCAERN C[C@@](O)(CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000362176541 262006775 /nfs/dbraw/zinc/00/67/75/262006775.db2.gz GPUGINUNPWCAKK-CXAGYDPISA-N 0 0 324.421 0.635 10 0 DCAERN CCCCc1nnc(NC(=O)CN(C)Cc2nnnn2C)s1 ZINC000362275183 262017823 /nfs/dbraw/zinc/01/78/23/262017823.db2.gz AKRXODAOIFEDIO-UHFFFAOYSA-N 0 0 324.414 0.475 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)C2CN(C(C)=O)C2)no1 ZINC000362312195 262021736 /nfs/dbraw/zinc/02/17/36/262021736.db2.gz HZOFNIBSYPMORU-UHFFFAOYSA-N 0 0 309.322 0.291 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000362474185 262038994 /nfs/dbraw/zinc/03/89/94/262038994.db2.gz RDQUMNITPGQPCT-DTWKUNHWSA-N 0 0 303.318 0.805 10 0 DCAERN CC(C)C(=O)N[C@H](CO)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000362700986 262062863 /nfs/dbraw/zinc/06/28/63/262062863.db2.gz WXFPCUAXBAKUNT-GFCCVEGCSA-N 0 0 308.382 0.249 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCC2(C(=O)OC)CC2)C1 ZINC000362770032 262070027 /nfs/dbraw/zinc/07/00/27/262070027.db2.gz PHUIIFOBARVEIG-SNVBAGLBSA-N 0 0 312.370 0.043 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000363162390 262103664 /nfs/dbraw/zinc/10/36/64/262103664.db2.gz JQPXSMOGJIEBJL-SNVBAGLBSA-N 0 0 310.366 0.962 10 0 DCAERN O=C(c1ccc2c(c1)CCC(=O)N2)N1CCN2CCOC[C@@H]2C1 ZINC000363817959 262132259 /nfs/dbraw/zinc/13/22/59/262132259.db2.gz GPGVIADCQGACDF-AWEZNQCLSA-N 0 0 315.373 0.728 10 0 DCAERN O=Cc1ccccc1OCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363861499 262135317 /nfs/dbraw/zinc/13/53/17/262135317.db2.gz WUOMRJSUWFCJPP-CQSZACIVSA-N 0 0 304.346 0.421 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCN3CCOC[C@H]3C2)c1CC ZINC000363868430 262135355 /nfs/dbraw/zinc/13/53/55/262135355.db2.gz SAAFVOLWEKJNHS-LLVKDONJSA-N 0 0 320.393 0.464 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000363911468 262135658 /nfs/dbraw/zinc/13/56/58/262135658.db2.gz RSMLAKYNHPFXKC-SNVBAGLBSA-N 0 0 305.334 0.361 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000370473414 262146284 /nfs/dbraw/zinc/14/62/84/262146284.db2.gz RISNDNAFMDWMRU-VNHYZAJKSA-N 0 0 314.451 0.754 10 0 DCAERN COc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](OC)C2)n1 ZINC000357056429 271040235 /nfs/dbraw/zinc/04/02/35/271040235.db2.gz OAQRVMDYTCKLRY-CMPLNLGQSA-N 0 0 307.350 0.390 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N(CC)CC(=O)OC)o1 ZINC000358876780 271077454 /nfs/dbraw/zinc/07/74/54/271077454.db2.gz MIPNWZUNIMSROF-UHFFFAOYSA-N 0 0 319.335 0.640 10 0 DCAERN O=C(NCc1nc(C(F)(F)F)n[nH]1)NC[C@@H](CO)C1CC1 ZINC000359146245 271098187 /nfs/dbraw/zinc/09/81/87/271098187.db2.gz QYVBOHKFXZUSHZ-ZETCQYMHSA-N 0 0 307.276 0.641 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NCC2(SC)CC2)n1 ZINC000359222204 271106656 /nfs/dbraw/zinc/10/66/56/271106656.db2.gz CYGSNOVEEMCSTQ-UHFFFAOYSA-N 0 0 323.418 0.761 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@H](C)SC)n1 ZINC000359236151 271109512 /nfs/dbraw/zinc/10/95/12/271109512.db2.gz MCDHHPGNDNCYEW-JTQLQIEISA-N 0 0 311.407 0.617 10 0 DCAERN COCCOC1CN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000359485441 271120556 /nfs/dbraw/zinc/12/05/56/271120556.db2.gz RQKHSTGMIVHWDG-UHFFFAOYSA-N 0 0 309.366 0.695 10 0 DCAERN NC(=O)c1nccnc1C(=O)Nc1cccc(CCCO)c1 ZINC000359609027 271131275 /nfs/dbraw/zinc/13/12/75/271131275.db2.gz XDHZRPCEXFXOFH-UHFFFAOYSA-N 0 0 300.318 0.753 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000359768026 271141611 /nfs/dbraw/zinc/14/16/11/271141611.db2.gz OMTZZDCVBOEZHU-YPMHNXCESA-N 0 0 315.373 0.684 10 0 DCAERN C[C@H](O)CN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000361046235 271173622 /nfs/dbraw/zinc/17/36/22/271173622.db2.gz VZFXQSJRAXLFLK-VTWZXRTESA-N 0 0 311.382 0.326 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000361054202 271173671 /nfs/dbraw/zinc/17/36/71/271173671.db2.gz AQHZMDUPXGNWGT-SECBINFHSA-N 0 0 300.318 0.843 10 0 DCAERN CCC1(CC)[C@@H](NC(=O)N(C)Cc2nnnn2C)C[C@@H]1OC ZINC000361277100 271177261 /nfs/dbraw/zinc/17/72/61/271177261.db2.gz UBDUUBFZZORMHI-QWRGUYRKSA-N 0 0 310.402 0.945 10 0 DCAERN CCC1(CC)[C@H](NC(=O)N(C)Cc2nnnn2C)C[C@@H]1OC ZINC000361277099 271178003 /nfs/dbraw/zinc/17/80/03/271178003.db2.gz UBDUUBFZZORMHI-MNOVXSKESA-N 0 0 310.402 0.945 10 0 DCAERN CC(C)N1N=C(C(=O)N2CCC[C@H](CC(N)=O)C2)CCC1=O ZINC000363347898 271186776 /nfs/dbraw/zinc/18/67/76/271186776.db2.gz MBRXAYKLMBBXQJ-LLVKDONJSA-N 0 0 308.382 0.487 10 0 DCAERN O=C1[C@H](N2C(=O)[C@@H]3CCCCN3C2=O)CCN1C1CCOCC1 ZINC000363472788 271194089 /nfs/dbraw/zinc/19/40/89/271194089.db2.gz UOCZIFLAWWAUGV-QWHCGFSZSA-N 0 0 321.377 0.583 10 0 DCAERN CC1C[C@H](C(=O)N(C)CCCO)[C@@H](C(=O)N(C)CCCO)C1 ZINC000442990801 271692725 /nfs/dbraw/zinc/69/27/25/271692725.db2.gz KOGPHKRHXVYVPS-KBPBESRZSA-N 0 0 314.426 0.330 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 ZINC000450122281 271869849 /nfs/dbraw/zinc/86/98/49/271869849.db2.gz NLGDPECGBRNTPN-VXGBXAGGSA-N 0 0 312.414 0.457 10 0 DCAERN COCCN(C)C(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000459904938 272017939 /nfs/dbraw/zinc/01/79/39/272017939.db2.gz MEHIBVHSAUXGPV-LLVKDONJSA-N 0 0 312.288 0.007 10 0 DCAERN CCCN(C)C(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000459935405 272021467 /nfs/dbraw/zinc/02/14/67/272021467.db2.gz QCQNAIMUBQVKIB-UHFFFAOYSA-N 0 0 308.357 0.738 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(C)CC2CC2)CCN1CC(C)(C)O ZINC000460010136 272024205 /nfs/dbraw/zinc/02/42/05/272024205.db2.gz MJSMDZDCHKKTEI-LBPRGKRZSA-N 0 0 311.426 0.158 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000471695425 272029855 /nfs/dbraw/zinc/02/98/55/272029855.db2.gz ZCBNLGZODSMECC-VXGBXAGGSA-N 0 0 320.345 0.829 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)n1 ZINC000487104260 272037857 /nfs/dbraw/zinc/03/78/57/272037857.db2.gz POYGCWLZZHECEN-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cncs1 ZINC000487114043 272038346 /nfs/dbraw/zinc/03/83/46/272038346.db2.gz HCTUDTWEGSXKJF-RKDXNWHRSA-N 0 0 313.379 0.258 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@H]1CCCCO1 ZINC000487147041 272039200 /nfs/dbraw/zinc/03/92/00/272039200.db2.gz DTMSRDTZLVOORB-GRYCIOLGSA-N 0 0 314.382 0.518 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)[nH]n1 ZINC000487558602 272041800 /nfs/dbraw/zinc/04/18/00/272041800.db2.gz LDHIGIIJMUIYAE-GWCFXTLKSA-N 0 0 307.398 0.958 10 0 DCAERN CC(C)CN1C[C@H]2CN(CC(=O)N(C)CC3CC3)CCN2C1=O ZINC000488747775 272050141 /nfs/dbraw/zinc/05/01/41/272050141.db2.gz JTMJYCAEYQQRBX-OAHLLOKOSA-N 0 0 322.453 0.933 10 0 DCAERN O=C(NC[C@@H](O)C(F)F)N[C@H]1CCN(c2ccccc2)C1=O ZINC000489235343 272058593 /nfs/dbraw/zinc/05/85/93/272058593.db2.gz UGHWQJXYZBASAS-WDEREUQCSA-N 0 0 313.304 0.717 10 0 DCAERN O=C(/C=C\c1cncc(O)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000492474542 272132050 /nfs/dbraw/zinc/13/20/50/272132050.db2.gz OPXUUKQDPVPDPW-MPNWYJEXSA-N 0 0 314.345 0.925 10 0 DCAERN CCN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C(C)(C)C1=O ZINC000494339458 272219228 /nfs/dbraw/zinc/21/92/28/272219228.db2.gz OOHMLEXIYCMLBP-NSHDSACASA-N 0 0 303.428 0.658 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000494385101 272220657 /nfs/dbraw/zinc/22/06/57/272220657.db2.gz JLAQZUYCZHTYNL-CYBMUJFWSA-N 0 0 309.410 0.319 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000494395049 272220722 /nfs/dbraw/zinc/22/07/22/272220722.db2.gz TVJSIKRRGCCQSO-CYBMUJFWSA-N 0 0 313.442 0.811 10 0 DCAERN CCOC(=O)CCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494462706 272222221 /nfs/dbraw/zinc/22/22/21/272222221.db2.gz GVYCSXVIOAJWOB-UHFFFAOYSA-N 0 0 300.399 0.899 10 0 DCAERN O=C(NCCc1cscn1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000494995738 272235712 /nfs/dbraw/zinc/23/57/12/272235712.db2.gz HEUIMHXAVTWEFP-CQSZACIVSA-N 0 0 308.407 0.997 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000495201957 272241370 /nfs/dbraw/zinc/24/13/70/272241370.db2.gz LYUVWXBZBFCYJT-UHFFFAOYSA-N 0 0 313.325 0.455 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N(CCO)CC(F)F ZINC000519575884 272504626 /nfs/dbraw/zinc/50/46/26/272504626.db2.gz SWHPUCPNMVSKDL-UHFFFAOYSA-N 0 0 312.276 0.359 10 0 DCAERN Cn1cc([C@H](NC(=O)CN2CCCNC2=O)C(F)(F)F)cn1 ZINC000520499031 272520282 /nfs/dbraw/zinc/52/02/82/272520282.db2.gz MZXHRCXBKQWJLX-JTQLQIEISA-N 0 0 319.287 0.555 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 ZINC000530460677 272742249 /nfs/dbraw/zinc/74/22/49/272742249.db2.gz VEQSIBNNUIBQKI-NWDGAFQWSA-N 0 0 304.412 0.678 10 0 DCAERN O=C(NCC(F)F)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531449570 272762221 /nfs/dbraw/zinc/76/22/21/272762221.db2.gz YGUJTWDWDXHDLF-UHFFFAOYSA-N 0 0 313.304 0.843 10 0 DCAERN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCCC2CC2)cn1 ZINC000532056120 272776011 /nfs/dbraw/zinc/77/60/11/272776011.db2.gz ZKABUYUAMRZUII-UHFFFAOYSA-N 0 0 321.381 0.216 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1nnnn1C)CO2 ZINC000532429339 272787768 /nfs/dbraw/zinc/78/77/68/272787768.db2.gz YAQRJTKOJHTAJI-NSHDSACASA-N 0 0 302.338 0.794 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000530414329 287747973 /nfs/dbraw/zinc/74/79/73/287747973.db2.gz XYBZGTABYBXONY-OCCSQVGLSA-N 0 0 316.361 0.868 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000285019067 275764412 /nfs/dbraw/zinc/76/44/12/275764412.db2.gz UAGMVHILEKEMIG-INIZCTEOSA-N 0 0 320.345 0.752 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 ZINC000188525679 276596332 /nfs/dbraw/zinc/59/63/32/276596332.db2.gz NBYKCQTZQSOUMS-ILXRZTDVSA-N 0 0 313.442 0.636 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCCCC(N)=O)cc1 ZINC000540472340 287903433 /nfs/dbraw/zinc/90/34/33/287903433.db2.gz YBERZPYEYIGTQA-UHFFFAOYSA-N 0 0 314.363 0.407 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CCS1(=O)=O ZINC000408234453 287933206 /nfs/dbraw/zinc/93/32/06/287933206.db2.gz FOVXXJIZMOFNQF-MWLCHTKSSA-N 0 0 312.395 0.096 10 0 DCAERN COC(=O)[C@H]1CC12CCN(c1nc3c(cnn3C)c(N)n1)CC2 ZINC000278512914 277124153 /nfs/dbraw/zinc/12/41/53/277124153.db2.gz YFXGGNWOGQMRGN-SNVBAGLBSA-N 0 0 316.365 0.725 10 0 DCAERN CC(C)(C)NC(=O)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173943040 277169522 /nfs/dbraw/zinc/16/95/22/277169522.db2.gz GNAOFFDOCLOBSZ-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN O=C(COCCOc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000542685230 287944557 /nfs/dbraw/zinc/94/45/57/287944557.db2.gz ZGINDKURKZLXKB-HNNXBMFYSA-N 0 0 320.389 0.625 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1N1CCOCC1 ZINC000329574609 287984719 /nfs/dbraw/zinc/98/47/19/287984719.db2.gz NVGJRVMHMSELSN-LYYZXLFJSA-N 0 0 324.421 0.217 10 0 DCAERN CN(Cc1nnnn1C)C(=O)CCc1cccc2c1OCO2 ZINC000545316400 287995989 /nfs/dbraw/zinc/99/59/89/287995989.db2.gz MAAJVDUDBXVFMO-UHFFFAOYSA-N 0 0 303.322 0.530 10 0 DCAERN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)Cn1ncn(C)c1=O ZINC000181436740 277947003 /nfs/dbraw/zinc/94/70/03/277947003.db2.gz HJRHLEKSVNQUAX-OCCSQVGLSA-N 0 0 316.361 0.570 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000408050728 278031165 /nfs/dbraw/zinc/03/11/65/278031165.db2.gz KZIVYFPTHAXTLQ-MRXNPFEDSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCSC[C@H](C)C2)C1 ZINC000408056036 278031552 /nfs/dbraw/zinc/03/15/52/278031552.db2.gz BZICBABPPDWLLG-BXUZGUMPSA-N 0 0 300.424 0.571 10 0 DCAERN CC(=O)N1CCN(C(=O)CC(=O)N(C)C)CC12CCCCC2 ZINC000408041586 278033955 /nfs/dbraw/zinc/03/39/55/278033955.db2.gz DECSCASPNFSNNA-UHFFFAOYSA-N 0 0 309.410 0.858 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000369970030 278057758 /nfs/dbraw/zinc/05/77/58/278057758.db2.gz OFFJUKVCMYSQFA-NWDGAFQWSA-N 0 0 308.300 0.771 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CC(=O)N(C)C1)[C@@H]2C ZINC000368465576 278105447 /nfs/dbraw/zinc/10/54/47/278105447.db2.gz LZYRNQOXJNNKPT-GHMZBOCLSA-N 0 0 320.397 0.718 10 0 DCAERN CSc1nsc(NC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000371870924 278181778 /nfs/dbraw/zinc/18/17/78/278181778.db2.gz VNKHPGJIGNHUSV-MRVPVSSYSA-N 0 0 315.424 0.808 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CCS1(=O)=O ZINC000134500371 278311860 /nfs/dbraw/zinc/31/18/60/278311860.db2.gz STAMNBRAWHDGKW-SNVBAGLBSA-N 0 0 311.407 0.865 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000408018213 278319916 /nfs/dbraw/zinc/31/99/16/278319916.db2.gz YVVROAXDWFJQIV-JTQLQIEISA-N 0 0 302.400 0.944 10 0 DCAERN CC(C)(C)N1C[C@@H](C(=O)NC2CCC(C(N)=O)CC2)CC1=O ZINC000408109502 278348744 /nfs/dbraw/zinc/34/87/44/278348744.db2.gz XAINIMZKGKNOAF-CXQJBGSLSA-N 0 0 309.410 0.794 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000150322622 278380758 /nfs/dbraw/zinc/38/07/58/278380758.db2.gz YIABOXAQODKEHR-WPRPVWTQSA-N 0 0 302.334 0.582 10 0 DCAERN CC(C)(C)[C@@H](CCO)NS(=O)(=O)N1CCOC(C)(C)C1 ZINC000408123271 278484322 /nfs/dbraw/zinc/48/43/22/278484322.db2.gz OEFXHMJCIBFDMM-LLVKDONJSA-N 0 0 308.444 0.729 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC2)CC1 ZINC000124452658 278535069 /nfs/dbraw/zinc/53/50/69/278535069.db2.gz GXVRYHCBVBJLQK-GFCCVEGCSA-N 0 0 317.455 0.257 10 0 DCAERN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000547835903 288083457 /nfs/dbraw/zinc/08/34/57/288083457.db2.gz FSKPGLMRCDSWLV-TUVASFSCSA-N 0 0 315.410 0.816 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000547966951 288096718 /nfs/dbraw/zinc/09/67/18/288096718.db2.gz QDEWAQFUBFHOGX-AWEZNQCLSA-N 0 0 314.426 0.751 10 0 DCAERN CCN(C1CCN(C[C@H](O)C(F)(F)F)CC1)S(C)(=O)=O ZINC000181758907 279046858 /nfs/dbraw/zinc/04/68/58/279046858.db2.gz NJEXEFBZKBLNFM-JTQLQIEISA-N 0 0 318.361 0.656 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000081813213 279134678 /nfs/dbraw/zinc/13/46/78/279134678.db2.gz SREKOXVSJABZBA-ZDUSSCGKSA-N 0 0 324.348 0.827 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCCn1ccnc1 ZINC000548060916 288107459 /nfs/dbraw/zinc/10/74/59/288107459.db2.gz JWJDSIKMNFIKSS-MRXNPFEDSA-N 0 0 318.377 0.392 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)N[C@H]1CCc2ncnn2C1 ZINC000120905513 279304433 /nfs/dbraw/zinc/30/44/33/279304433.db2.gz GSOMMWHYPPITDA-VIFPVBQESA-N 0 0 313.317 0.468 10 0 DCAERN COCc1noc(CN2CCN(C(=O)NC[C@H]3C[C@H]3C)CC2)n1 ZINC000548363611 288135872 /nfs/dbraw/zinc/13/58/72/288135872.db2.gz NNOKAURRKBFLMJ-VXGBXAGGSA-N 0 0 323.397 0.699 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)C1=O ZINC000408253981 279536544 /nfs/dbraw/zinc/53/65/44/279536544.db2.gz BEDIJYUBMAOYMM-AGIUHOORSA-N 0 0 324.425 0.729 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CC1=O ZINC000408258243 279555268 /nfs/dbraw/zinc/55/52/68/279555268.db2.gz ZBVZPZFNNBSWSD-JHJVBQTASA-N 0 0 324.425 0.729 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000058224423 279564400 /nfs/dbraw/zinc/56/44/00/279564400.db2.gz ALEKHMZXXRFVIL-LBPRGKRZSA-N 0 0 312.414 0.601 10 0 DCAERN Nc1nc2c(s1)CN(C(=O)[C@@H]1NCCc3nc[nH]c31)CC2 ZINC000072478237 279708809 /nfs/dbraw/zinc/70/88/09/279708809.db2.gz YEJYFCBSMBWCIE-LLVKDONJSA-N 0 0 304.379 0.220 10 0 DCAERN CCO[C@@H](CC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000548637706 288162158 /nfs/dbraw/zinc/16/21/58/288162158.db2.gz XOSBANNOYKPTBK-LBPRGKRZSA-N 0 0 300.399 0.897 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000408249055 279766818 /nfs/dbraw/zinc/76/68/18/279766818.db2.gz YIDCYTJEJKBESP-RDJZCZTQSA-N 0 0 321.421 0.762 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(Cn3ccnn3)CC2)cn1 ZINC000548762384 288173980 /nfs/dbraw/zinc/17/39/80/288173980.db2.gz NAONGXTVQUSFNB-UHFFFAOYSA-N 0 0 304.354 0.329 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000548763669 288174492 /nfs/dbraw/zinc/17/44/92/288174492.db2.gz HKEXKKAXVJCGTQ-HUUCEWRRSA-N 0 0 322.409 0.559 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1CCCc2nn(C)cc21)S(C)(=O)=O ZINC000549054777 288190756 /nfs/dbraw/zinc/19/07/56/288190756.db2.gz SIFDXHMNIBWALN-KOLCDFICSA-N 0 0 314.411 0.530 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3nn(C)cc32)C[C@H](CO)O1 ZINC000549209809 288194853 /nfs/dbraw/zinc/19/48/53/288194853.db2.gz ATETVOVAHZUUCH-NQBHXWOUSA-N 0 0 308.382 0.589 10 0 DCAERN CC[C@@H]1CN(C(=O)NCc2cccnc2-n2cncn2)CCO1 ZINC000046096058 280357121 /nfs/dbraw/zinc/35/71/21/280357121.db2.gz HHVBVYYUHMKGRS-CYBMUJFWSA-N 0 0 316.365 0.983 10 0 DCAERN Cc1cc(C)n2nc(C(=O)Nc3cnc(N(C)C)nc3)nc2n1 ZINC000125402581 280453219 /nfs/dbraw/zinc/45/32/19/280453219.db2.gz QZAZZSKOWQVSCP-UHFFFAOYSA-N 0 0 312.337 0.849 10 0 DCAERN CC(C)c1nnc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)n1C ZINC000126689737 280710420 /nfs/dbraw/zinc/71/04/20/280710420.db2.gz GGXZLIYOGOVONL-GHMZBOCLSA-N 0 0 300.428 0.946 10 0 DCAERN Cc1ccc(-n2nnnc2N2CCO[C@]3(CCOC3)C2)cc1 ZINC000274390634 280750323 /nfs/dbraw/zinc/75/03/23/280750323.db2.gz KPHCKHFIFWAURN-OAHLLOKOSA-N 0 0 301.350 0.966 10 0 DCAERN C[C@@H]1CN(c2cnn(C)c(=O)c2Br)CC(=O)N1C ZINC000407955118 288272212 /nfs/dbraw/zinc/27/22/12/288272212.db2.gz PXEZTXKXTJJBGP-SSDOTTSWSA-N 0 0 315.171 0.210 10 0 DCAERN CC1(C)CCN(S(=O)(=O)CC(F)(F)F)CCS1(=O)=O ZINC000408451868 281090390 /nfs/dbraw/zinc/09/03/90/281090390.db2.gz NASAAUIQUYRQNS-UHFFFAOYSA-N 0 0 323.358 0.778 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000334137397 281329281 /nfs/dbraw/zinc/32/92/81/281329281.db2.gz ZKXGJGZNQFIGEZ-FTGAXOIBSA-N 0 0 308.382 0.947 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CN(c3ccccc3)C2=O)cn1 ZINC000554567556 288329270 /nfs/dbraw/zinc/32/92/70/288329270.db2.gz QMTBFCHNCYSMFV-CYBMUJFWSA-N 0 0 300.318 0.331 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000555918720 288365910 /nfs/dbraw/zinc/36/59/10/288365910.db2.gz AYLRFQINRMLCCB-LLVKDONJSA-N 0 0 317.349 0.698 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000193001238 281910464 /nfs/dbraw/zinc/91/04/64/281910464.db2.gz AOTDLOFLIHUSRN-SECBINFHSA-N 0 0 324.768 0.719 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1N1CCOCC1 ZINC000556393096 288376355 /nfs/dbraw/zinc/37/63/55/288376355.db2.gz CDGUFNVBGPDBEW-OCCSQVGLSA-N 0 0 320.393 0.668 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCC23CCC3)ccn1 ZINC000441525663 282001067 /nfs/dbraw/zinc/00/10/67/282001067.db2.gz ZBPRLZXAABWTOW-UHFFFAOYSA-N 0 0 316.361 0.877 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1)C(C)C ZINC000557622649 288426132 /nfs/dbraw/zinc/42/61/32/288426132.db2.gz STWIFXFDLJLIEC-KOLCDFICSA-N 0 0 304.412 0.229 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cn1 ZINC000558622486 288450527 /nfs/dbraw/zinc/45/05/27/288450527.db2.gz BYLJQIJPBBPESZ-CYBMUJFWSA-N 0 0 318.308 0.470 10 0 DCAERN Cc1ccc2c(c1)CN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000558811227 288460914 /nfs/dbraw/zinc/46/09/14/288460914.db2.gz RWFISCZSCRHLBV-HNNXBMFYSA-N 0 0 322.430 0.956 10 0 DCAERN COCC1(NC(=O)C(=O)Nc2ccc3nccn3c2)CCC1 ZINC000560216635 288487581 /nfs/dbraw/zinc/48/75/81/288487581.db2.gz ZUCJAYJBQCEMCM-UHFFFAOYSA-N 0 0 302.334 0.958 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1C(=O)NCCOCC1CCC1 ZINC000562297566 288563814 /nfs/dbraw/zinc/56/38/14/288563814.db2.gz VOTUXBPTCNQLDL-OCCSQVGLSA-N 0 0 300.399 0.984 10 0 DCAERN CC1(C)CCN(C(=O)c2cccc3ncnn32)CCS1(=O)=O ZINC000562942437 288607791 /nfs/dbraw/zinc/60/77/91/288607791.db2.gz KMGAOYPWRRSIHN-UHFFFAOYSA-N 0 0 322.390 0.769 10 0 DCAERN C[C@@H]1NC(=S)N([C@@H]2CCCN(c3cccnc3)C2=O)C1=O ZINC000181282625 288845264 /nfs/dbraw/zinc/84/52/64/288845264.db2.gz LFRVKSMIYMMTTP-GXSJLCMTSA-N 0 0 304.375 0.682 10 0 DCAERN CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)[C@H]1CCOC1 ZINC000329650573 288877150 /nfs/dbraw/zinc/87/71/50/288877150.db2.gz CIOCGDURXSKVRH-GZBFAFLISA-N 0 0 303.362 0.848 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)O1 ZINC000329535034 289025325 /nfs/dbraw/zinc/02/53/25/289025325.db2.gz ZAIQSHNLGKLWQQ-WJTVCTBASA-N 0 0 323.393 0.785 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)O1 ZINC000332809536 289025635 /nfs/dbraw/zinc/02/56/35/289025635.db2.gz HYBXIQPYOOCSEA-XVIXHAIJSA-N 0 0 322.405 0.696 10 0 DCAERN COC[C@@H](C)CNC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000176400796 292756137 /nfs/dbraw/zinc/75/61/37/292756137.db2.gz YSKFDVUFRNJSSS-UNXYVOJBSA-N 0 0 306.428 0.924 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)N3CCCCCC3)C[C@H]21 ZINC000328841458 290114635 /nfs/dbraw/zinc/11/46/35/290114635.db2.gz PMFUTNIKJDYEDC-KGLIPLIRSA-N 0 0 317.455 0.512 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1=O ZINC000408051348 290299594 /nfs/dbraw/zinc/29/95/94/290299594.db2.gz HKFCXCICWZQJGS-RQJABVFESA-N 0 0 310.394 0.243 10 0 DCAERN CN1C[C@H](C(=O)N2Cc3cnnn3Cc3ccccc32)CC1=O ZINC000189034180 290300589 /nfs/dbraw/zinc/30/05/89/290300589.db2.gz WMWMBFVBSJHGFR-GFCCVEGCSA-N 0 0 311.345 0.651 10 0 DCAERN CN1C[C@H](NC(=O)C2(S(C)(=O)=O)CCCC2)CCC1=O ZINC000408197432 290303448 /nfs/dbraw/zinc/30/34/48/290303448.db2.gz ITRNKPJAUGUYKW-SNVBAGLBSA-N 0 0 302.396 0.081 10 0 DCAERN CNC(=O)NCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000408023804 290505030 /nfs/dbraw/zinc/50/50/30/290505030.db2.gz VLECAXAMMLJGLH-NSHDSACASA-N 0 0 320.397 0.597 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccnn1C(C)(C)C)C(C)C ZINC000180777329 290537802 /nfs/dbraw/zinc/53/78/02/290537802.db2.gz VDLAYHLMSKYZJQ-NSHDSACASA-N 0 0 323.397 0.463 10 0 DCAERN COC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)CC(C)(C)O1 ZINC000408057804 293220789 /nfs/dbraw/zinc/22/07/89/293220789.db2.gz AANUBRMJWOPRSQ-LLVKDONJSA-N 0 0 319.423 0.606 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000328989320 293909964 /nfs/dbraw/zinc/90/99/64/293909964.db2.gz CQNJJGNOTWXPPT-LPWJVIDDSA-N 0 0 308.382 0.919 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408110060 294011519 /nfs/dbraw/zinc/01/15/19/294011519.db2.gz KPOWHCRXWAZWSK-DVVUODLYSA-N 0 0 311.382 0.493 10 0 DCAERN CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193402464 294139112 /nfs/dbraw/zinc/13/91/12/294139112.db2.gz UCZKHXLSHBNDGY-JXFSHQFZSA-N 0 0 312.410 0.630 10 0 DCAERN Cn1cc(N2CCC[C@H](N3CCc4cncnc4C3)C2=O)cn1 ZINC000329626261 294247642 /nfs/dbraw/zinc/24/76/42/294247642.db2.gz TWMQCRCEYPILAV-HNNXBMFYSA-N 0 0 312.377 0.764 10 0 DCAERN COc1cc2c(c(C)c1)NC(=O)[C@@]21NC(=O)[C@@H]2[C@@H](C)OCCN21 ZINC000285273306 295029205 /nfs/dbraw/zinc/02/92/05/295029205.db2.gz WCQLQVOHPQDFLC-SULUZNBOSA-N 0 0 317.345 0.328 10 0 DCAERN COc1cc2c(c(C)c1)NC(=O)[C@@]21NC(=O)[C@@H]2CSCCN21 ZINC000273347840 295029266 /nfs/dbraw/zinc/02/92/66/295029266.db2.gz PCQGCMAWSFMQLO-XHDPSFHLSA-N 0 0 319.386 0.656 10 0 DCAERN NC(=O)CCN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O ZINC000153046619 295039809 /nfs/dbraw/zinc/03/98/09/295039809.db2.gz CDBLAGRRRJDMMC-AWEZNQCLSA-N 0 0 307.737 0.909 10 0 DCAERN NC(=O)N[C@@H]1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024687 295085624 /nfs/dbraw/zinc/08/56/24/295085624.db2.gz FZWOIDMYARNXQI-BDAKNGLRSA-N 0 0 308.304 0.282 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000408256617 295100926 /nfs/dbraw/zinc/10/09/26/295100926.db2.gz OIVJTVSESNGXQF-GRYCIOLGSA-N 0 0 320.397 0.846 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000180214664 295158618 /nfs/dbraw/zinc/15/86/18/295158618.db2.gz PDVBTUABIZXQIR-SNVBAGLBSA-N 0 0 304.680 0.945 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333116269 297172220 /nfs/dbraw/zinc/17/22/20/297172220.db2.gz FWRUWAHBUPYJLC-WYUUTHIRSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000408194638 297458027 /nfs/dbraw/zinc/45/80/27/297458027.db2.gz ZFBZNTGPEUOCJH-UTUOFQBUSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408301551 297784220 /nfs/dbraw/zinc/78/42/20/297784220.db2.gz BERNXNGWCSCNKC-NWDODZNUSA-N 0 0 311.411 0.664 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCCCC1 ZINC000174027666 298067476 /nfs/dbraw/zinc/06/74/76/298067476.db2.gz JBHBZKJEYPHXRY-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000329158169 304600311 /nfs/dbraw/zinc/60/03/11/304600311.db2.gz CRRPFPXTKLHWRG-KCPJHIHWSA-N 0 0 316.361 0.731 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000367763773 300008175 /nfs/dbraw/zinc/00/81/75/300008175.db2.gz QDYWCFSNSYXXFB-NSHDSACASA-N 0 0 324.402 0.772 10 0 DCAERN C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCS1(=O)=O ZINC000120860825 300231068 /nfs/dbraw/zinc/23/10/68/300231068.db2.gz FEYACFKVOLPRSD-VIFPVBQESA-N 0 0 314.388 0.254 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254704 301359209 /nfs/dbraw/zinc/35/92/09/301359209.db2.gz ZFICJHULVKQHDH-QWHCGFSZSA-N 0 0 308.382 0.717 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)N1CCOCC1 ZINC000329041163 302506378 /nfs/dbraw/zinc/50/63/78/302506378.db2.gz OKFCVDJXFWQUNM-KGLIPLIRSA-N 0 0 322.409 0.647 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3CCOC[C@H]3C(N)=O)c12 ZINC000091781077 302858714 /nfs/dbraw/zinc/85/87/14/302858714.db2.gz URIGGQMPRWMKSO-JTQLQIEISA-N 0 0 304.306 0.166 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@@]3(C)CCCNC3=O)CC2=O)cn1 ZINC000330239996 302914477 /nfs/dbraw/zinc/91/44/77/302914477.db2.gz INLHMCLFJWOWTM-HNNXBMFYSA-N 0 0 319.365 0.352 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N[C@H]3CCSC3)CCC(=O)N2C)cn1 ZINC000266527748 302930642 /nfs/dbraw/zinc/93/06/42/302930642.db2.gz XUSUROQLSSMWQN-SGMGOOAPSA-N 0 0 322.434 0.951 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCOCC3(CC3)C2)c1 ZINC000408174476 303347320 /nfs/dbraw/zinc/34/73/20/303347320.db2.gz JSKJGZTUEWNEPC-UHFFFAOYSA-N 0 0 310.375 0.587 10 0 DCAERN O=C(CN1CCCC1=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159041788 303604743 /nfs/dbraw/zinc/60/47/43/303604743.db2.gz ISBYWDGYXRQZJA-OLZOCXBDSA-N 0 0 322.361 0.553 10 0 DCAERN O=C(CN1CCN([C@H]2CCCCNC2=O)CC1)N1CCCCC1 ZINC000022810615 303613279 /nfs/dbraw/zinc/61/32/79/303613279.db2.gz PWKSGHFSYQVIDZ-HNNXBMFYSA-N 0 0 322.453 0.285 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCCN1CCOCC1 ZINC000170685623 332866148 /nfs/dbraw/zinc/86/61/48/332866148.db2.gz NOZOJHQNUFGDDA-ZIAGYGMSSA-N 0 0 311.426 0.601 10 0 DCAERN C[C@@H](OC[C@@H]1CCCCO1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332776779 332868972 /nfs/dbraw/zinc/86/89/72/332868972.db2.gz VAFSWLWZKVOPOF-ZOBORPQBSA-N 0 0 324.381 0.308 10 0 DCAERN Cn1cc(OCC(=O)N2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000580098072 332938304 /nfs/dbraw/zinc/93/83/04/332938304.db2.gz ZXSSUOVPPASGHR-CYBMUJFWSA-N 0 0 302.334 0.874 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)CC[C@H]1C ZINC000188130953 333037629 /nfs/dbraw/zinc/03/76/29/333037629.db2.gz PRUVZZRNLCXHPH-DGCLKSJQSA-N 0 0 308.382 0.812 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cc1cnc(N2CCOCC2)s1 ZINC000189083220 333062959 /nfs/dbraw/zinc/06/29/59/333062959.db2.gz OJAULZHALWMSOW-LLVKDONJSA-N 0 0 310.423 0.690 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000387739468 333168475 /nfs/dbraw/zinc/16/84/75/333168475.db2.gz XANLXVIIMXKTJF-NEPJUHHUSA-N 0 0 318.439 0.420 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)C2CN(CC(F)(F)F)C2)C1 ZINC000583569839 335734401 /nfs/dbraw/zinc/73/44/01/335734401.db2.gz PHFOVQZZGIACHF-SNVBAGLBSA-N 0 0 307.316 0.465 10 0 DCAERN CN(C)C(=O)NCCN(C)C(=O)NCCOCC1CCC1 ZINC000582879224 337214060 /nfs/dbraw/zinc/21/40/60/337214060.db2.gz GQZCHHVELDALQS-UHFFFAOYSA-N 0 0 300.403 0.716 10 0 DCAERN O=C(CNC(=O)N1CCc2cc[nH]c(=O)c2C1)N1CCCC1 ZINC000584505881 337350908 /nfs/dbraw/zinc/35/09/08/337350908.db2.gz SFAXVNHOPAEXAJ-UHFFFAOYSA-N 0 0 304.350 0.477 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000584581157 337368087 /nfs/dbraw/zinc/36/80/87/337368087.db2.gz ATSBJIBWKPIEKW-UHFFFAOYSA-N 0 0 320.393 0.292 10 0 DCAERN NS(=O)(=O)c1cccc(-c2cncs2)c1-c1nn[nH]n1 ZINC000584596405 337374242 /nfs/dbraw/zinc/37/42/42/337374242.db2.gz BEDOJMAHPWVNML-UHFFFAOYSA-N 0 0 308.348 0.638 10 0 DCAERN NS(=O)(=O)c1cccc(-c2ccnc(F)c2)c1-c1nn[nH]n1 ZINC000584596425 337374254 /nfs/dbraw/zinc/37/42/54/337374254.db2.gz CRNBYVVOZZXRQD-UHFFFAOYSA-N 0 0 320.309 0.715 10 0 DCAERN O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000332952032 337670168 /nfs/dbraw/zinc/67/01/68/337670168.db2.gz YTGNVUAKSRZZGQ-SAVGLBRCSA-N 0 0 308.300 0.976 10 0 DCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCO[C@@H](C2CC2)C1 ZINC000332969162 337671921 /nfs/dbraw/zinc/67/19/21/337671921.db2.gz VCABJBDJMTZYGK-QWHCGFSZSA-N 0 0 316.423 0.774 10 0 DCAERN O=C(Cn1ccc(=O)c2ccccc21)NC[C@]1(O)CCSC1 ZINC000176722627 341899112 /nfs/dbraw/zinc/89/91/12/341899112.db2.gz ARCAGFYQWWMEAN-MRXNPFEDSA-N 0 0 318.398 0.986 10 0 DCAERN C[C@@H](NC(=O)NCCC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000178895985 341970160 /nfs/dbraw/zinc/97/01/60/341970160.db2.gz BESGYMPESPQLTI-SNVBAGLBSA-N 0 0 302.338 0.503 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744840 534262647 /nfs/dbraw/zinc/26/26/47/534262647.db2.gz QEEPAAFQIHUJBW-YGRLFVJLSA-N 0 0 307.354 0.110 10 0 DCAERN CC(C)(C)C[C@@H](CO)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187043088 518676534 /nfs/dbraw/zinc/67/65/34/518676534.db2.gz ULYFEHCRLBPWQA-VIFPVBQESA-N 0 0 304.350 0.845 10 0 DCAERN NC(=O)NC(=O)CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175950210 534385618 /nfs/dbraw/zinc/38/56/18/534385618.db2.gz LVSKRGLCMFGGID-CQSZACIVSA-N 0 0 305.378 0.905 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@@H](c3noc(C(C)C)n3)C2)C1 ZINC000364808842 519487513 /nfs/dbraw/zinc/48/75/13/519487513.db2.gz YQCUHZVYXRGWOY-GFCCVEGCSA-N 0 0 322.365 0.571 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000187977242 519489310 /nfs/dbraw/zinc/48/93/10/519489310.db2.gz FKKBGMGBYPTBCO-KBPBESRZSA-N 0 0 308.403 0.761 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000172447841 534431741 /nfs/dbraw/zinc/43/17/41/534431741.db2.gz UQQDJQNPTLCDNG-OLZOCXBDSA-N 0 0 309.410 0.939 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173524765 519554816 /nfs/dbraw/zinc/55/48/16/519554816.db2.gz NJAAYEBTORSNMT-RYUDHWBXSA-N 0 0 307.354 0.024 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000191346522 519647225 /nfs/dbraw/zinc/64/72/25/519647225.db2.gz SNMJLZYAQMTMAF-UHFFFAOYSA-N 0 0 315.251 0.389 10 0 DCAERN CC(=O)NC1CN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000190509762 519647622 /nfs/dbraw/zinc/64/76/22/519647622.db2.gz KDIKZBCPWSMIPA-UHFFFAOYSA-N 0 0 314.345 0.134 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C1 ZINC000191486490 519648719 /nfs/dbraw/zinc/64/87/19/519648719.db2.gz DEDXQKZQBPQLPY-UHFFFAOYSA-N 0 0 308.338 0.951 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000190526056 519649025 /nfs/dbraw/zinc/64/90/25/519649025.db2.gz SYDWVIPOMFQPNO-UONOGXRCSA-N 0 0 316.357 0.908 10 0 DCAERN CC(C)N1CC[C@H](N2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312286 519689166 /nfs/dbraw/zinc/68/91/66/519689166.db2.gz PHDKYLOCBJDODT-GOEBONIOSA-N 0 0 306.410 0.977 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000188860298 519753981 /nfs/dbraw/zinc/75/39/81/519753981.db2.gz JAXJVAFBYNUQIZ-SNVBAGLBSA-N 0 0 324.381 0.925 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000364877863 519865586 /nfs/dbraw/zinc/86/55/86/519865586.db2.gz AHOSVVMARHTYGD-LBPRGKRZSA-N 0 0 306.414 0.582 10 0 DCAERN CCN(C(=O)N[C@H]1CCCN(CC)C1)[C@H](C)CS(C)(=O)=O ZINC000246772452 519987414 /nfs/dbraw/zinc/98/74/14/519987414.db2.gz OTZXDJBQLRHIKI-OLZOCXBDSA-N 0 0 319.471 0.935 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnns1 ZINC000189562776 520525685 /nfs/dbraw/zinc/52/56/85/520525685.db2.gz KVLPSPVHFXVOEF-QMMMGPOBSA-N 0 0 304.397 0.681 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000247495315 520530425 /nfs/dbraw/zinc/53/04/25/520530425.db2.gz MKUBYFBYVKYZOD-OLZOCXBDSA-N 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HMASKACMUZCTRP-SNVBAGLBSA-N 0 0 300.380 0.464 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](OC)C2)o1 ZINC000187890099 522277700 /nfs/dbraw/zinc/27/77/00/522277700.db2.gz LYETWBNDSVGGEX-GXSJLCMTSA-N 0 0 316.379 0.685 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000182869040 522521611 /nfs/dbraw/zinc/52/16/11/522521611.db2.gz XCNNJUGEDWOQMY-CQSZACIVSA-N 0 0 305.338 0.180 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000188247155 522567326 /nfs/dbraw/zinc/56/73/26/522567326.db2.gz OGRCBYONNHRPJL-UWVGGRQHSA-N 0 0 318.370 0.380 10 0 DCAERN CN(CC1(CO)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000189156928 522598446 /nfs/dbraw/zinc/59/84/46/522598446.db2.gz IGWYTTXDQXIVIV-LBPRGKRZSA-N 0 0 306.362 0.859 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCCn2nc(C)cc2C)C1 ZINC000188168489 522758582 /nfs/dbraw/zinc/75/85/82/522758582.db2.gz FAVBUQDXAKFQBU-UHFFFAOYSA-N 0 0 323.397 0.046 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000186319676 522762214 /nfs/dbraw/zinc/76/22/14/522762214.db2.gz KOHCFSYXXBTCBP-UHFFFAOYSA-N 0 0 302.252 0.691 10 0 DCAERN COC(=O)C1(CNC(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000188703031 522821119 /nfs/dbraw/zinc/82/11/19/522821119.db2.gz QMSTWEYQUZVNTA-UHFFFAOYSA-N 0 0 303.318 0.399 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000129867083 523137227 /nfs/dbraw/zinc/13/72/27/523137227.db2.gz LYHFTTUSIYSSOK-SECBINFHSA-N 0 0 316.404 0.502 10 0 DCAERN NS(=O)(=O)c1cccnc1N1CC[C@H](Oc2cccnc2)C1 ZINC000301650580 534704978 /nfs/dbraw/zinc/70/49/78/534704978.db2.gz GHUXJFJIFFWZOP-LBPRGKRZSA-N 0 0 320.374 0.782 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000191771812 523479977 /nfs/dbraw/zinc/47/99/77/523479977.db2.gz KQVFHAQQLQMSPF-DGCLKSJQSA-N 0 0 306.366 0.281 10 0 DCAERN CCn1cc([C@H]2CN(CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802590 523482424 /nfs/dbraw/zinc/48/24/24/523482424.db2.gz MWNWQUHMKWYAPY-GFCCVEGCSA-N 0 0 309.370 0.251 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000127726924 523510575 /nfs/dbraw/zinc/51/05/75/523510575.db2.gz NAJLECOGAROQIS-JTQLQIEISA-N 0 0 306.322 0.767 10 0 DCAERN COC(=O)[C@@H](C)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921934 523532078 /nfs/dbraw/zinc/53/20/78/523532078.db2.gz NHZZBPHGGWCACG-CABCVRRESA-N 0 0 322.405 0.605 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C[C@H]1C ZINC000248992884 523709903 /nfs/dbraw/zinc/70/99/03/523709903.db2.gz YRDUDICGDOEGIZ-URYGNPGCSA-N 0 0 304.412 0.594 10 0 DCAERN COC(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063559 523718175 /nfs/dbraw/zinc/71/81/75/523718175.db2.gz JUJICQMXXNTSGG-GRYCIOLGSA-N 0 0 306.366 0.935 10 0 DCAERN CN1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000156689971 523804356 /nfs/dbraw/zinc/80/43/56/523804356.db2.gz KPOPYGJREBOMMQ-UHFFFAOYSA-N 0 0 302.421 0.929 10 0 DCAERN CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248878630 523811228 /nfs/dbraw/zinc/81/12/28/523811228.db2.gz ORUSGYFYPDXNEK-GHMZBOCLSA-N 0 0 306.428 0.730 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C[C@H]1CCCC(=O)N1 ZINC000366020704 523812151 /nfs/dbraw/zinc/81/21/51/523812151.db2.gz WKCQTSZQLNPKRN-YFCNSXCBSA-N 0 0 308.378 0.845 10 0 DCAERN COCCN1CCN(C(=O)CCNC(=O)c2ccco2)C[C@H]1C ZINC000117285077 523839463 /nfs/dbraw/zinc/83/94/63/523839463.db2.gz KJWMXGRUMLBMFV-CYBMUJFWSA-N 0 0 323.393 0.579 10 0 DCAERN CN(C(=O)[C@]1(O)CCSC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000155664969 523914688 /nfs/dbraw/zinc/91/46/88/523914688.db2.gz UEFHJCVUFBNYEH-WFASDCNBSA-N 0 0 322.434 0.772 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(OCC(F)F)nc2)C1 ZINC000129409696 523948748 /nfs/dbraw/zinc/94/87/48/523948748.db2.gz ZFHSHWDJGWGNOC-LLVKDONJSA-N 0 0 315.320 0.786 10 0 DCAERN CN1C[C@@H](NC(=O)CCc2nc(-c3ccoc3)no2)CCC1=O ZINC000152721149 524009120 /nfs/dbraw/zinc/00/91/20/524009120.db2.gz DHRNVQFHSVYYQS-NSHDSACASA-N 0 0 318.333 0.999 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@H](c3nccs3)C2)CCC1=O ZINC000162902349 524010988 /nfs/dbraw/zinc/01/09/88/524010988.db2.gz YUWWQFOVZMMAJW-QWRGUYRKSA-N 0 0 324.406 0.847 10 0 DCAERN CN1C[C@H](NC(=O)C[C@@H](NC(N)=O)c2cccs2)CCC1=O ZINC000131020603 524022558 /nfs/dbraw/zinc/02/25/58/524022558.db2.gz ZKVPIXUCPLGRNF-NXEZZACHSA-N 0 0 324.406 0.585 10 0 DCAERN CNC(=O)CCCN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000153680168 524062274 /nfs/dbraw/zinc/06/22/74/524062274.db2.gz DQURSWFOLTUAON-UHFFFAOYSA-N 0 0 304.350 0.314 10 0 DCAERN C[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)[C@H]1CO ZINC000190235953 524250312 /nfs/dbraw/zinc/25/03/12/524250312.db2.gz IWFMNEUIXZQAGV-JSGCOSHPSA-N 0 0 305.378 0.829 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000249193644 524453658 /nfs/dbraw/zinc/45/36/58/524453658.db2.gz AYZNJNAQWOCDDC-AWEZNQCLSA-N 0 0 312.435 0.823 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000157165709 524595705 /nfs/dbraw/zinc/59/57/05/524595705.db2.gz APFGYSAZKYVUFT-YPMHNXCESA-N 0 0 312.391 0.306 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)CCS1(=O)=O ZINC000121887835 524783225 /nfs/dbraw/zinc/78/32/25/524783225.db2.gz XWGUXEYOCKWZIY-LLVKDONJSA-N 0 0 310.375 0.062 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000157165538 524829364 /nfs/dbraw/zinc/82/93/64/524829364.db2.gz APFGYSAZKYVUFT-AAEUAGOBSA-N 0 0 312.391 0.306 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@H](C(N)=O)C(C)C ZINC000189533133 524919724 /nfs/dbraw/zinc/91/97/24/524919724.db2.gz RNXWUHQDBCHXRY-JTQLQIEISA-N 0 0 312.757 0.608 10 0 DCAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC(C)(CO)CO)c1 ZINC000183523915 524950145 /nfs/dbraw/zinc/95/01/45/524950145.db2.gz SDDLCOAMZCJOEC-GXFFZTMASA-N 0 0 306.362 0.754 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189252446 524960101 /nfs/dbraw/zinc/96/01/01/524960101.db2.gz OWGMLAJJCNQERN-GXFFZTMASA-N 0 0 312.391 0.660 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)[C@@H](C)CO1 ZINC000246220626 525045964 /nfs/dbraw/zinc/04/59/64/525045964.db2.gz PYIWBMRUNPQPEL-NWDGAFQWSA-N 0 0 316.427 0.296 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000267689783 525067831 /nfs/dbraw/zinc/06/78/31/525067831.db2.gz GGJOCIMJRWIACJ-PWSUYJOCSA-N 0 0 305.382 0.924 10 0 DCAERN Cc1ccccc1CNC(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246421166 525159677 /nfs/dbraw/zinc/15/96/77/525159677.db2.gz JVBPRFWSTPBBOB-UMVBOHGHSA-N 0 0 319.405 0.574 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)o1 ZINC000127463229 525399682 /nfs/dbraw/zinc/39/96/82/525399682.db2.gz NWBUWZWIWRUHMD-SECBINFHSA-N 0 0 307.393 0.704 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@@H](CO)C2)cc(C)c1F ZINC000269778382 525400318 /nfs/dbraw/zinc/40/03/18/525400318.db2.gz HTCNBBOBMWFXFN-LLVKDONJSA-N 0 0 303.355 0.824 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249594376 525849100 /nfs/dbraw/zinc/84/91/00/525849100.db2.gz WJWBFYDBAOVLAR-ZDUSSCGKSA-N 0 0 311.451 0.671 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000128709551 525975265 /nfs/dbraw/zinc/97/52/65/525975265.db2.gz XZMNLBWXRIENJL-UONOGXRCSA-N 0 0 305.378 0.948 10 0 DCAERN C[C@H](C(=O)NCc1cccs1)N1CCN(CCO)[C@@H](C)C1 ZINC000249585316 526090353 /nfs/dbraw/zinc/09/03/53/526090353.db2.gz STSJHOXRCSMEID-QWHCGFSZSA-N 0 0 311.451 0.751 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000189198552 526189599 /nfs/dbraw/zinc/18/95/99/526189599.db2.gz VKXQDKPSHZLCOX-LBPRGKRZSA-N 0 0 304.402 0.213 10 0 DCAERN C[C@H](C1CC1)N(C(=O)CN1CCS(=O)(=O)[C@@H](C)C1)C1CC1 ZINC000247211056 526195948 /nfs/dbraw/zinc/19/59/48/526195948.db2.gz WYUBVYNRSCSWLO-NWDGAFQWSA-N 0 0 314.451 0.895 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000188891331 526202124 /nfs/dbraw/zinc/20/21/24/526202124.db2.gz RVFDQOJROWORCM-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3snnc3C)CCO2)c1 ZINC000190522962 526264720 /nfs/dbraw/zinc/26/47/20/526264720.db2.gz LRASLCAKRGRTNC-NSHDSACASA-N 0 0 307.379 0.893 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)CCc3ccncn3)CCO2)c1 ZINC000191244733 526265001 /nfs/dbraw/zinc/26/50/01/526265001.db2.gz HAPGYINOHKXHQL-OAHLLOKOSA-N 0 0 315.377 0.842 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@]3(O)CCSC3)no2)c1 ZINC000154836625 526265183 /nfs/dbraw/zinc/26/51/83/526265183.db2.gz KRWQQXUJDLASGR-CQSZACIVSA-N 0 0 322.390 0.826 10 0 DCAERN Cc1csc(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)n1 ZINC000111596174 526327648 /nfs/dbraw/zinc/32/76/48/526327648.db2.gz URPXTROBHWQEHE-UHFFFAOYSA-N 0 0 322.390 0.709 10 0 DCAERN Cc1nnc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000111426013 526365483 /nfs/dbraw/zinc/36/54/83/526365483.db2.gz GUKYVGVUNKWYMI-SNVBAGLBSA-N 0 0 308.367 0.976 10 0 DCAERN O=C(NC[C@@H]1CC[C@H](O)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000190158505 526546714 /nfs/dbraw/zinc/54/67/14/526546714.db2.gz VVJFGVUIHFQIQI-MCIONIFRSA-N 0 0 319.409 0.906 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)N(C)C)cn2)C1 ZINC000331010874 526566523 /nfs/dbraw/zinc/56/65/23/526566523.db2.gz VNJWRPDGZCTSDJ-CYBMUJFWSA-N 0 0 318.377 0.980 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)[C@H](C)c2ncccc2F)CC1 ZINC000330941895 526625915 /nfs/dbraw/zinc/62/59/15/526625915.db2.gz DLHIGNQZZHZAIM-GFCCVEGCSA-N 0 0 322.384 0.605 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CCO)C1CCOCC1 ZINC000330916312 526679862 /nfs/dbraw/zinc/67/98/62/526679862.db2.gz ZSOGNYHHLGYBOG-CHWSQXEVSA-N 0 0 316.423 0.202 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1cc(-c2ccccc2)on1 ZINC000111593733 526722824 /nfs/dbraw/zinc/72/28/24/526722824.db2.gz HJYXKXCACGUFHM-UHFFFAOYSA-N 0 0 314.301 0.510 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)s1 ZINC000187929243 526737415 /nfs/dbraw/zinc/73/74/15/526737415.db2.gz ZELKBFHUGIWQPO-UHFFFAOYSA-N 0 0 315.420 0.659 10 0 DCAERN O=C(CN1CCOC[C@]12CCOC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249607145 526793103 /nfs/dbraw/zinc/79/31/03/526793103.db2.gz RLEKOCPAYZRXIT-BFYDXBDKSA-N 0 0 324.421 0.648 10 0 DCAERN O=C(CN1CCO[C@H](c2cccs2)C1)N1CCNC(=O)C1 ZINC000157376696 526795731 /nfs/dbraw/zinc/79/57/31/526795731.db2.gz KUQRCIBCTMEALY-NSHDSACASA-N 0 0 309.391 0.080 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000189844364 526852866 /nfs/dbraw/zinc/85/28/66/526852866.db2.gz NXIHEHNSRULCLZ-YYRQZUAOSA-N 0 0 305.309 0.975 10 0 DCAERN Cc1nc(CNC(=O)NCCn2c3ccccc3oc2=O)no1 ZINC000176515783 526880238 /nfs/dbraw/zinc/88/02/38/526880238.db2.gz NYDQDISHAQAWAQ-UHFFFAOYSA-N 0 0 317.305 0.785 10 0 DCAERN NC(=O)COc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000158242469 526892461 /nfs/dbraw/zinc/89/24/61/526892461.db2.gz ZOJLWIAHCDWWMO-TZMCWYRMSA-N 0 0 306.362 0.832 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CNc2cccc3c2C(=O)NC3)C1 ZINC000154745849 526963662 /nfs/dbraw/zinc/96/36/62/526963662.db2.gz HCVHGJGOOWFJKQ-LLVKDONJSA-N 0 0 316.361 0.066 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccn(-c2ccccc2F)n1 ZINC000189311281 526981758 /nfs/dbraw/zinc/98/17/58/526981758.db2.gz SGEWARJQSQPWSH-AWEZNQCLSA-N 0 0 304.325 0.698 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCC3(C)CCC3)cnc21 ZINC000267842073 527076291 /nfs/dbraw/zinc/07/62/91/527076291.db2.gz ASWPBGZDXLFXMU-UHFFFAOYSA-N 0 0 302.334 0.954 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000331325562 527138309 /nfs/dbraw/zinc/13/83/09/527138309.db2.gz MMTIGGKHEQLTCZ-AWEZNQCLSA-N 0 0 316.352 0.736 10 0 DCAERN O=CNc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188472496 527141111 /nfs/dbraw/zinc/14/11/11/527141111.db2.gz BVLKYAXRVWOIEG-UHFFFAOYSA-N 0 0 301.346 0.996 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187976314 527198589 /nfs/dbraw/zinc/19/85/89/527198589.db2.gz OIGJKJHUUSOSRN-UHFFFAOYSA-N 0 0 305.309 0.501 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CCNC(=O)C1 ZINC000119475278 527230594 /nfs/dbraw/zinc/23/05/94/527230594.db2.gz URUOHXPXDZILLP-NSHDSACASA-N 0 0 304.350 0.383 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000190156362 527258703 /nfs/dbraw/zinc/25/87/03/527258703.db2.gz BUNJPRJPNKXTKF-LBPRGKRZSA-N 0 0 302.338 0.836 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC[C@@]12CCOC2=O ZINC000186471087 527348734 /nfs/dbraw/zinc/34/87/34/527348734.db2.gz RHODTTWNKQUDTI-INIZCTEOSA-N 0 0 315.329 0.638 10 0 DCAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N1CCC[C@@H]1CO ZINC000121115910 527404521 /nfs/dbraw/zinc/40/45/21/527404521.db2.gz LTPCIWSARDSOKY-LLVKDONJSA-N 0 0 315.333 0.189 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000154640961 527440970 /nfs/dbraw/zinc/44/09/70/527440970.db2.gz DAVBPUDQXWAHFB-LBPRGKRZSA-N 0 0 316.365 0.555 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175060350 527735537 /nfs/dbraw/zinc/73/55/37/527735537.db2.gz HXRFIKZFSGULDX-CYBMUJFWSA-N 0 0 306.366 0.646 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000187844232 527742854 /nfs/dbraw/zinc/74/28/54/527742854.db2.gz BXSLOXDWXULPFC-KCJUWKMLSA-N 0 0 311.304 0.562 10 0 DCAERN CCN1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC1=O ZINC000302691836 527913850 /nfs/dbraw/zinc/91/38/50/527913850.db2.gz COLYUBGJGYGDKQ-UHFFFAOYSA-N 0 0 300.244 0.769 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n(C)n1 ZINC000174246664 528022141 /nfs/dbraw/zinc/02/21/41/528022141.db2.gz NVPUVCFANQFTLQ-SNVBAGLBSA-N 0 0 314.411 0.307 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000176593402 528061734 /nfs/dbraw/zinc/06/17/34/528061734.db2.gz OEVFRTONCJUMCG-ZIAGYGMSSA-N 0 0 309.410 0.714 10 0 DCAERN CCO[C@H]1C[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000299652113 528111257 /nfs/dbraw/zinc/11/12/57/528111257.db2.gz JPRKVPIBSZWOLH-JSGCOSHPSA-N 0 0 324.402 0.909 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000151772542 528390955 /nfs/dbraw/zinc/39/09/55/528390955.db2.gz MVUNSYVIFCKXFH-SRVKXCTJSA-N 0 0 300.424 0.965 10 0 DCAERN CCCCOCCNC(=O)CN1CCC[C@]1(C)C(=O)OC ZINC000186357459 528596823 /nfs/dbraw/zinc/59/68/23/528596823.db2.gz VXUKFDWWDIDVED-OAHLLOKOSA-N 0 0 300.399 0.947 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCCS(N)(=O)=O)c1 ZINC000457487480 536881271 /nfs/dbraw/zinc/88/12/71/536881271.db2.gz PVXYPBHRCMOZFQ-UHFFFAOYSA-N 0 0 314.363 0.190 10 0 DCAERN C[C@]([NH3+])(CCCn1cc(I)cn1)C(N)=O ZINC000070678716 545661713 /nfs/dbraw/zinc/66/17/13/545661713.db2.gz WIRYXZHWDGTFPC-VIFPVBQESA-N 0 0 322.150 0.471 10 0 DCAERN CC[NH2+][C@](C)(Cn1cc(I)cn1)C(N)=O ZINC000070678704 545661522 /nfs/dbraw/zinc/66/15/22/545661522.db2.gz RJKHGMQTIHLVDK-SECBINFHSA-N 0 0 322.150 0.341 10 0 DCAERN CC[NH2+][C@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678643 545661544 /nfs/dbraw/zinc/66/15/44/545661544.db2.gz KBDRIGXSYLGJSG-MRVPVSSYSA-N 0 0 323.134 0.941 10 0 DCAERN C[NH2+][C@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678683 545661630 /nfs/dbraw/zinc/66/16/30/545661630.db2.gz OOKNXOLHVVYJFK-SSDOTTSWSA-N 0 0 309.107 0.550 10 0 DCAERN [NH3+][C@@]1(C(=O)[O-])CC[C@@H](n2cc(I)cn2)C1 ZINC000086627126 545706014 /nfs/dbraw/zinc/70/60/14/545706014.db2.gz TZNXQNLVEHZKMV-APPZFPTMSA-N 0 0 321.118 0.995 10 0 DCAERN Cc1cccc2c1ncn(CC(=O)N(C)[C@@H]1CCOC1)c2=O ZINC000106843089 545733355 /nfs/dbraw/zinc/73/33/55/545733355.db2.gz HESUKGUYLYCSLN-GFCCVEGCSA-N 0 0 301.346 0.952 10 0 DCAERN O=C(CN1CCN(Cc2cncnc2)CC1)N1CCCCCC1 ZINC000121665874 545750485 /nfs/dbraw/zinc/75/04/85/545750485.db2.gz ZAMJOJXQSPNTOU-UHFFFAOYSA-N 0 0 317.437 0.997 10 0 DCAERN Cc1cc(N2CCN(Cc3ccnn3C)CC2)n2ncnc2n1 ZINC000133945327 545799629 /nfs/dbraw/zinc/79/96/29/545799629.db2.gz IGZSGAPLWZWQFX-UHFFFAOYSA-N 0 0 312.381 0.488 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccnn3)CCO2)c1 ZINC000151769848 545820315 /nfs/dbraw/zinc/82/03/15/545820315.db2.gz GRRDEEJNUYZZBU-LBPRGKRZSA-N 0 0 302.338 0.914 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)s1 ZINC000176807033 545889761 /nfs/dbraw/zinc/88/97/61/545889761.db2.gz QIXOVZQJRMGVNS-SNVBAGLBSA-N 0 0 321.402 0.877 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000184331089 545910862 /nfs/dbraw/zinc/91/08/62/545910862.db2.gz PUADONWAJBGANE-QWRGUYRKSA-N 0 0 317.436 0.772 10 0 DCAERN O=C(Cc1cc[nH]n1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000184996617 545912263 /nfs/dbraw/zinc/91/22/63/545912263.db2.gz KPKMQDLFEOQVOG-UHFFFAOYSA-N 0 0 319.340 0.639 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C[C@H]1c2ccccc2NC1=O ZINC000188857139 545918349 /nfs/dbraw/zinc/91/83/49/545918349.db2.gz JNOUIJABMZBPGB-PWSUYJOCSA-N 0 0 301.346 0.849 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)C2 ZINC000188950249 545919242 /nfs/dbraw/zinc/91/92/42/545919242.db2.gz XZPLZKPYPCMDCJ-YPMHNXCESA-N 0 0 318.373 0.983 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000305723838 546020536 /nfs/dbraw/zinc/02/05/36/546020536.db2.gz KUBJSXDFZCCCQE-LBPRGKRZSA-N 0 0 320.364 0.909 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Cc1cc[nH]n1 ZINC000329200455 546044594 /nfs/dbraw/zinc/04/45/94/546044594.db2.gz XITXXGLHAAKDJF-ZDUSSCGKSA-N 0 0 303.366 0.903 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@H]2C)cn1C ZINC000329629247 546053052 /nfs/dbraw/zinc/05/30/52/546053052.db2.gz HLHBSKVHYNESJL-YPMHNXCESA-N 0 0 312.439 0.976 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@H](N2CCOCC2)C1 ZINC000333113608 546071702 /nfs/dbraw/zinc/07/17/02/546071702.db2.gz YCJBRDVVTCIGQU-QWHCGFSZSA-N 0 0 320.397 0.229 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H]2F)C[C@@H]1c1cnn(C)c1 ZINC000333236631 546075413 /nfs/dbraw/zinc/07/54/13/546075413.db2.gz DCIUAGNYGADCFB-YXMPFFBPSA-N 0 0 308.357 0.456 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@@H](C)O1 ZINC000333324832 546077946 /nfs/dbraw/zinc/07/79/46/546077946.db2.gz LUZBCBFXKJJMQP-UTUOFQBUSA-N 0 0 315.395 0.642 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N(C)CCNC(=O)N(C)C)[nH]n1 ZINC000358700059 546194479 /nfs/dbraw/zinc/19/44/79/546194479.db2.gz GHECYYZAAUUGLZ-SNVBAGLBSA-N 0 0 310.402 0.562 10 0 DCAERN COCCN(C(=O)N[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000359122779 546197622 /nfs/dbraw/zinc/19/76/22/546197622.db2.gz LXJKSWNYSUMXBL-QWRGUYRKSA-N 0 0 304.412 0.630 10 0 DCAERN CCNC(=O)c1ccc(=NCCC(=O)N2CCCCC2)[nH]n1 ZINC000388790330 546219405 /nfs/dbraw/zinc/21/94/05/546219405.db2.gz OEDORTPANFYZMR-UHFFFAOYSA-N 0 0 305.382 0.463 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1c1cn[nH]n1 ZINC000622165543 546321573 /nfs/dbraw/zinc/32/15/73/546321573.db2.gz IAKDWAVTTDMJRN-GXSJLCMTSA-N 0 0 310.745 0.296 10 0 DCAERN CCn1cc(CC[N@@H+]2C[C@H](C(=O)N(C)C)CC[C@H]2C(=O)[O-])cn1 ZINC000685940545 548746779 /nfs/dbraw/zinc/74/67/79/548746779.db2.gz OAWMKOPWLJXBPC-KGLIPLIRSA-N 0 0 322.409 0.699 10 0 DCAERN CS(=O)(=O)c1cnn(C[C@@H](C(=N)NO)C(F)(F)F)c1 ZINC000725252344 548749115 /nfs/dbraw/zinc/74/91/15/548749115.db2.gz RDWLVOWGBYGETG-LURJTMIESA-N 0 0 300.262 0.421 10 0 DCAERN CC(=O)N(C)C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000128762012 661006684 /nfs/dbraw/zinc/00/66/84/661006684.db2.gz UBCBRSPFHYSJNG-HUUCEWRRSA-N 0 0 319.405 0.838 10 0 DCAERN COC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)C(F)(F)F)C(C)C ZINC000180832554 665458613 /nfs/dbraw/zinc/45/86/13/665458613.db2.gz ZLYXLQZRWYQQSJ-HTQZYQBOSA-N 0 0 300.277 0.749 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000090287154 657684831 /nfs/dbraw/zinc/68/48/31/657684831.db2.gz FXOFCBHYXHLFCL-ZDUSSCGKSA-N 0 0 301.726 0.584 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)[C@@H]1C ZINC000255580458 657933224 /nfs/dbraw/zinc/93/32/24/657933224.db2.gz NCQLJPUHBZIQRB-MNOVXSKESA-N 0 0 305.382 0.035 10 0 DCAERN C[C@](O)(CN1CCS(=O)(=O)CC1)C(F)(F)C(F)(F)F ZINC000724095838 657958153 /nfs/dbraw/zinc/95/81/53/657958153.db2.gz DRKSSRQXQIOCGQ-ZETCQYMHSA-N 0 0 311.272 0.665 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000346446465 657965446 /nfs/dbraw/zinc/96/54/46/657965446.db2.gz CZXXLRPNSLNZAL-YUMQZZPRSA-N 0 0 303.156 0.496 10 0 DCAERN Cc1nc(NC(=O)C[C@@H]2CNCCS2(=O)=O)sc1C ZINC000725004964 658014032 /nfs/dbraw/zinc/01/40/32/658014032.db2.gz FXNKGDYRYHODPK-SECBINFHSA-N 0 0 303.409 0.475 10 0 DCAERN CN(C(=O)C[C@@H]1CNCCS1(=O)=O)C1CCCCCC1 ZINC000725016358 658020201 /nfs/dbraw/zinc/02/02/01/658020201.db2.gz FURWCXOZTXRUGN-CYBMUJFWSA-N 0 0 302.440 0.944 10 0 DCAERN CCC1CCC(NC(=O)C[C@H]2CNCCS2(=O)=O)CC1 ZINC000725019001 658022610 /nfs/dbraw/zinc/02/26/10/658022610.db2.gz UYZYJUNIXVWYBJ-BPCQOVAHSA-N 0 0 302.440 0.848 10 0 DCAERN O=S1(=O)CCNC[C@@H]1Cc1nc(Cc2cccs2)no1 ZINC000725015339 658025650 /nfs/dbraw/zinc/02/56/50/658025650.db2.gz KFNBSMFWEMDRQD-JTQLQIEISA-N 0 0 313.404 0.651 10 0 DCAERN CO[C@@H]1CC[C@H]1N(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000724182694 658035235 /nfs/dbraw/zinc/03/52/35/658035235.db2.gz KAXPFHBPFNVOAI-NXEZZACHSA-N 0 0 318.420 0.574 10 0 DCAERN COC[C@H](C)OC[C@@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724205508 658054686 /nfs/dbraw/zinc/05/46/86/658054686.db2.gz QTFZJSGRDNMTHK-UWVGGRQHSA-N 0 0 301.305 0.662 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C(=O)NC)C(C)C)c1 ZINC000255006146 658141652 /nfs/dbraw/zinc/14/16/52/658141652.db2.gz XUUACBZRZQPEED-GEXIGZQTSA-N 0 0 318.377 0.341 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CCC(CO)(CO)C1 ZINC000725118197 658149470 /nfs/dbraw/zinc/14/94/70/658149470.db2.gz TYFCFMCUOOEWLZ-UHFFFAOYSA-N 0 0 305.421 0.730 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC(c3ccnn3C)CC2)C1 ZINC000181375762 665562064 /nfs/dbraw/zinc/56/20/64/665562064.db2.gz BHADFXACJGEKPV-CYBMUJFWSA-N 0 0 320.393 0.579 10 0 DCAERN CCOc1cc2c(cc1CNC(=O)[C@@H]1CNC(=O)N1)O[C@@H](C)C2 ZINC000089991029 658400510 /nfs/dbraw/zinc/40/05/10/658400510.db2.gz DHKUXCWQWIMGNY-CABZTGNLSA-N 0 0 319.361 0.706 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@@H]2CC=CCC2)c(=O)n(C)c1=O ZINC000255710562 658486326 /nfs/dbraw/zinc/48/63/26/658486326.db2.gz VVJVKCLWBAHLLY-JLVNDZCYSA-N 0 0 304.346 0.997 10 0 DCAERN CCCCNC(=O)[C@@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000050901486 658500983 /nfs/dbraw/zinc/50/09/83/658500983.db2.gz DWYKNVJLUYYMCN-GFCCVEGCSA-N 0 0 323.397 0.651 10 0 DCAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc(F)cc1N ZINC000090925582 658597791 /nfs/dbraw/zinc/59/77/91/658597791.db2.gz LBCZOHZEKDAVGW-LLVKDONJSA-N 0 0 318.395 0.968 10 0 DCAERN CC(C)c1nc(CN2CCC[C@@](O)(Cc3nncn3C)C2)no1 ZINC000888077235 658717069 /nfs/dbraw/zinc/71/70/69/658717069.db2.gz VPGIUHNXAHRGOT-OAHLLOKOSA-N 0 0 320.397 0.891 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCO1 ZINC000255865574 658725737 /nfs/dbraw/zinc/72/57/37/658725737.db2.gz FFWBOOFNWRIDJA-YVACAVLKSA-N 0 0 311.341 0.961 10 0 DCAERN CCn1nncc1C(=O)NC[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000888078316 658726523 /nfs/dbraw/zinc/72/65/23/658726523.db2.gz JCQRROHHKJLDEG-SMDDNHRTSA-N 0 0 318.381 0.929 10 0 DCAERN C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 ZINC000255060470 658740103 /nfs/dbraw/zinc/74/01/03/658740103.db2.gz ZNTLEUVHDMXLEO-WYGGZMRJSA-N 0 0 322.361 0.456 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1ccccc1C ZINC000047613978 658755910 /nfs/dbraw/zinc/75/59/10/658755910.db2.gz ICDQUNQYDKARDO-UHFFFAOYSA-N 0 0 311.385 0.296 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC(Cn3cccn3)CC2)C1 ZINC000181376722 659043738 /nfs/dbraw/zinc/04/37/38/659043738.db2.gz TUTSVYAHHQNAGO-CQSZACIVSA-N 0 0 320.393 0.574 10 0 DCAERN CCN(CC(F)F)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000186454886 659277510 /nfs/dbraw/zinc/27/75/10/659277510.db2.gz IIDGEDHVMCBFCR-UHFFFAOYSA-N 0 0 314.354 0.657 10 0 DCAERN O=C(OCCN1CCCCC1=O)[C@H]1COCCN1CC(F)F ZINC000194929868 659523128 /nfs/dbraw/zinc/52/31/28/659523128.db2.gz ZVUUDSGPUONJJE-LLVKDONJSA-N 0 0 320.336 0.508 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCC[S@](=O)C(C)(C)C)C(C)C ZINC000178437327 659523977 /nfs/dbraw/zinc/52/39/77/659523977.db2.gz YVDCRRYINMSYLL-FVINQWEUSA-N 0 0 305.444 0.603 10 0 DCAERN CCCn1cc(NC(=O)NC[C@@H](O)CN2CCOCC2)cn1 ZINC000092926873 659586984 /nfs/dbraw/zinc/58/69/84/659586984.db2.gz VUWUPLQZCBXYGA-CYBMUJFWSA-N 0 0 311.386 0.108 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000261641716 661343102 /nfs/dbraw/zinc/34/31/02/661343102.db2.gz ITWVKHGNSWWKHQ-LBPRGKRZSA-N 0 0 302.252 0.925 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000338932306 661807365 /nfs/dbraw/zinc/80/73/65/661807365.db2.gz BDVWIUDFHYCZCI-GFCCVEGCSA-N 0 0 307.375 0.663 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ncn(C)c1Cl)C(C)C ZINC000178925693 662027490 /nfs/dbraw/zinc/02/74/90/662027490.db2.gz GSUUUQRHGRKOOQ-SSDOTTSWSA-N 0 0 308.791 0.122 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2ccsc2)C[C@H](C)O1 ZINC000182465571 665824795 /nfs/dbraw/zinc/82/47/95/665824795.db2.gz FOWSFLSMPCQWMP-UMNHJUIQSA-N 0 0 320.436 0.725 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721834051 662133158 /nfs/dbraw/zinc/13/31/58/662133158.db2.gz RHOLJTHUJZLWFY-MRVPVSSYSA-N 0 0 307.803 0.855 10 0 DCAERN O=C(N[C@H]1CCOC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179168789 662812456 /nfs/dbraw/zinc/81/24/56/662812456.db2.gz HVFGAXFPVHHSGD-JKSUJKDBSA-N 0 0 319.405 0.836 10 0 DCAERN CC(C)[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)N(C)C ZINC000729699920 662907395 /nfs/dbraw/zinc/90/73/95/662907395.db2.gz PUZDEXSYONUSAQ-PWSUYJOCSA-N 0 0 303.380 0.591 10 0 DCAERN Cc1ccnc2nc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)nn21 ZINC000729697874 662907469 /nfs/dbraw/zinc/90/74/69/662907469.db2.gz YQNWUUPEUUKFPX-JTQLQIEISA-N 0 0 305.338 0.702 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729706188 662907772 /nfs/dbraw/zinc/90/77/72/662907772.db2.gz JKNIHSNVYRVOFE-LBPRGKRZSA-N 0 0 307.412 0.713 10 0 DCAERN CC(C)CNC(=O)[C@H](C)OC(=O)COc1ccccc1C(N)=O ZINC000729928218 662914336 /nfs/dbraw/zinc/91/43/36/662914336.db2.gz BDCYNQLKSJLRTI-NSHDSACASA-N 0 0 322.361 0.868 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000344880300 663079636 /nfs/dbraw/zinc/07/96/36/663079636.db2.gz CRISMQNTKVJVIY-ZJUUUORDSA-N 0 0 301.364 0.911 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439843 663244684 /nfs/dbraw/zinc/24/46/84/663244684.db2.gz SKWQPCNXFAVEPD-KGLIPLIRSA-N 0 0 319.430 0.995 10 0 DCAERN CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000900833568 663285877 /nfs/dbraw/zinc/28/58/77/663285877.db2.gz RNIFQGMFCRMCRY-GMOCCLDISA-N 0 0 320.393 0.749 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900939609 663295903 /nfs/dbraw/zinc/29/59/03/663295903.db2.gz AJXKQCATVIOMIS-JRPNMDOOSA-N 0 0 300.399 0.630 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccnc(Cl)c1Cl ZINC000901291062 663338136 /nfs/dbraw/zinc/33/81/36/663338136.db2.gz LTBXMRPVQUZAKC-ZETCQYMHSA-N 0 0 304.133 0.715 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCC[C@H](C)C1 ZINC000031471166 663583564 /nfs/dbraw/zinc/58/35/64/663583564.db2.gz MDZAXGRKXNNNCP-GJZGRUSLSA-N 0 0 303.406 0.366 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909160700 663782795 /nfs/dbraw/zinc/78/27/95/663782795.db2.gz SXTRBWXBFUPWQK-CPUCHLNUSA-N 0 0 313.357 0.851 10 0 DCAERN COc1cccc(CC(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c1 ZINC000909148200 663783596 /nfs/dbraw/zinc/78/35/96/663783596.db2.gz JFHOQEWYEMCYPZ-IJEWVQPXSA-N 0 0 301.346 0.925 10 0 DCAERN C[C@]1(Br)C[C@@H]1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909200305 663786913 /nfs/dbraw/zinc/78/69/13/663786913.db2.gz WXRGBWFFZAAKMW-CDPPZIPSSA-N 0 0 314.183 0.847 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1cc(O)c(F)cc1F ZINC000909987907 663830193 /nfs/dbraw/zinc/83/01/93/663830193.db2.gz NUODVPPTIRKZDH-LLVKDONJSA-N 0 0 314.288 0.982 10 0 DCAERN C[C@H](CNC(=O)c1ccnc(-n2ccnc2)c1)N1CCOCC1 ZINC000129340917 663986043 /nfs/dbraw/zinc/98/60/43/663986043.db2.gz XPQILBJAKOIIJL-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN CCc1nc[nH]c1C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000911181113 664003046 /nfs/dbraw/zinc/00/30/46/664003046.db2.gz GYFWAOFDBHZUMA-BQBZGAKWSA-N 0 0 304.272 0.708 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](O)c2cccc(OC)c2)CC1 ZINC000163629340 664242877 /nfs/dbraw/zinc/24/28/77/664242877.db2.gz RONMRHVSXXFUQU-GDBMZVCRSA-N 0 0 322.405 0.644 10 0 DCAERN Cc1cc2c(nc(N3CCOCC3)nc2N2CCOCC2)[nH]1 ZINC000223943850 664427831 /nfs/dbraw/zinc/42/78/31/664427831.db2.gz MSMCLQVDTBBKOX-UHFFFAOYSA-N 0 0 303.366 0.940 10 0 DCAERN Cc1nc(N[C@@H]2CCS(=O)(=O)C2)c2c(n1)N[C@@H](C)C(=O)N2 ZINC000224020464 664428653 /nfs/dbraw/zinc/42/86/53/664428653.db2.gz GCCYLPXTXGAWPW-POYBYMJQSA-N 0 0 311.367 0.137 10 0 DCAERN Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(Cl)n1 ZINC000056278967 664519894 /nfs/dbraw/zinc/51/98/94/664519894.db2.gz HMQCDHMMAXIUIY-UHFFFAOYSA-N 0 0 317.798 0.761 10 0 DCAERN O=C(CS(=O)(=O)Cc1ccccc1)N[C@H]1CCSC1=O ZINC000059132664 664520651 /nfs/dbraw/zinc/52/06/51/664520651.db2.gz PDQCRUBQGMTWJL-NSHDSACASA-N 0 0 313.400 0.750 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCOC[C@H]1CO ZINC000168506246 664524763 /nfs/dbraw/zinc/52/47/63/664524763.db2.gz OXQLGYNFKXGLQP-SNVBAGLBSA-N 0 0 308.359 0.564 10 0 DCAERN O=c1c2ccccc2nnn1CN1CCN(c2cccnn2)CC1 ZINC000170638847 664583662 /nfs/dbraw/zinc/58/36/62/664583662.db2.gz PRDSDWFDHCARHE-UHFFFAOYSA-N 0 0 323.360 0.361 10 0 DCAERN O=c1c2ccccc2cnn1CN1CCN(c2cccnn2)CC1 ZINC000170638726 664583846 /nfs/dbraw/zinc/58/38/46/664583846.db2.gz LFSUVJZODZBIQB-UHFFFAOYSA-N 0 0 322.372 0.966 10 0 DCAERN CC(C)N1C(=O)CN(CN2CCC(C(=O)N(C)C)CC2)C1=O ZINC000171024004 664600381 /nfs/dbraw/zinc/60/03/81/664600381.db2.gz RPIUBMICZXYCTJ-UHFFFAOYSA-N 0 0 310.398 0.417 10 0 DCAERN C=CC(=O)NCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000171833182 664613305 /nfs/dbraw/zinc/61/33/05/664613305.db2.gz QYZHHSJNGLYSFE-UHFFFAOYSA-N 0 0 304.346 0.809 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)OCc1cccc(OCC(N)=O)c1 ZINC000062682207 664622663 /nfs/dbraw/zinc/62/26/63/664622663.db2.gz GWTDVMDHFZYBTH-CQSZACIVSA-N 0 0 320.345 0.605 10 0 DCAERN CC[C@H]1C(=O)NCCN1Cn1ncc2cc(C(=O)OC)ccc21 ZINC000730253728 664667173 /nfs/dbraw/zinc/66/71/73/664667173.db2.gz GIHSQZHIPKTWGK-ZDUSSCGKSA-N 0 0 316.361 0.991 10 0 DCAERN Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000152614211 664766561 /nfs/dbraw/zinc/76/65/61/664766561.db2.gz SHXCZRJKVZTOMD-NXEZZACHSA-N 0 0 318.299 0.594 10 0 DCAERN O=C(NCCNS(=O)(=O)c1ccccc1)C1=COCCC1 ZINC000730744856 664804060 /nfs/dbraw/zinc/80/40/60/664804060.db2.gz WBZVPCXOBUXNKT-UHFFFAOYSA-N 0 0 310.375 0.775 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731682187 664876992 /nfs/dbraw/zinc/87/69/92/664876992.db2.gz HKYOENFVWXADJW-VXGBXAGGSA-N 0 0 317.455 0.451 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2ccccc2)c(=O)n(C)c1=O ZINC000029965126 665315332 /nfs/dbraw/zinc/31/53/32/665315332.db2.gz SJFFCSFPUYSSGO-CMDGGOBGSA-N 0 0 300.314 0.841 10 0 DCAERN COC(C)(C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175180150 665315596 /nfs/dbraw/zinc/31/55/96/665315596.db2.gz RBRWMAUXQAHTTQ-UHFFFAOYSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@@H](OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000175372187 665322868 /nfs/dbraw/zinc/32/28/68/665322868.db2.gz JACKUWLDAPZNRX-MWLCHTKSSA-N 0 0 310.375 0.699 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCOC[C@H]1CCOC1 ZINC000354136217 666152782 /nfs/dbraw/zinc/15/27/82/666152782.db2.gz HNYQDXNNKWXISY-OLZOCXBDSA-N 0 0 316.423 0.467 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccccc1C=O ZINC000071959313 666191146 /nfs/dbraw/zinc/19/11/46/666191146.db2.gz VDADGZZZVGZBLS-RYUDHWBXSA-N 0 0 304.346 0.990 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC(n3ccnn3)C2)c(F)c1 ZINC000357755845 666207986 /nfs/dbraw/zinc/20/79/86/666207986.db2.gz VHFVMIROUVDVAT-UHFFFAOYSA-N 0 0 304.281 0.901 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCC1(C)OCCO1 ZINC000185550915 666498397 /nfs/dbraw/zinc/49/83/97/666498397.db2.gz MIYXFGHKGGYQAL-UHFFFAOYSA-N 0 0 306.362 0.994 10 0 DCAERN COc1cc(N2CCN(Cn3ncn(C)c3=S)CC2)ncn1 ZINC000185610603 666528662 /nfs/dbraw/zinc/52/86/62/666528662.db2.gz XFEQJKNXGCPXTK-UHFFFAOYSA-N 0 0 321.410 0.529 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000733881182 666823656 /nfs/dbraw/zinc/82/36/56/666823656.db2.gz XZMDCEVHLKAFTJ-IBGZPJMESA-N 0 0 318.420 0.557 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000733881356 666823660 /nfs/dbraw/zinc/82/36/60/666823660.db2.gz DMDQNNWNJHEPCE-IBGZPJMESA-N 0 0 317.432 0.979 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000733899397 666824714 /nfs/dbraw/zinc/82/47/14/666824714.db2.gz HQFHCTURNWMYCA-IBGZPJMESA-N 0 0 319.404 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000733964119 666832743 /nfs/dbraw/zinc/83/27/43/666832743.db2.gz XHANXUKSYCNEHH-QFIPXVFZSA-N 0 0 323.374 0.388 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000734513391 666884629 /nfs/dbraw/zinc/88/46/29/666884629.db2.gz XVNDQQOJNVSBQY-LJQANCHMSA-N 0 0 319.408 0.375 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000734512954 666884690 /nfs/dbraw/zinc/88/46/90/666884690.db2.gz SSYKEMKNXIWXDQ-OAQYLSRUSA-N 0 0 310.383 0.631 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000735109468 666947322 /nfs/dbraw/zinc/94/73/22/666947322.db2.gz FNTNHOJVYLGYFT-QKVFXAPYSA-N 0 0 317.455 0.703 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)c(C)c1 ZINC000735081768 666948612 /nfs/dbraw/zinc/94/86/12/666948612.db2.gz VPTOHSCNLOUEKM-IBGZPJMESA-N 0 0 319.404 0.438 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 ZINC000735081789 666948695 /nfs/dbraw/zinc/94/86/95/666948695.db2.gz WCISKHXYEJQDTG-GOSISDBHSA-N 0 0 305.377 0.130 10 0 DCAERN CCOC(=O)N[C@@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000735109629 666949472 /nfs/dbraw/zinc/94/94/72/666949472.db2.gz DEHFUAFJVLRDLT-FIKIJFGZSA-N 0 0 319.427 0.675 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000735090358 666949621 /nfs/dbraw/zinc/94/96/21/666949621.db2.gz PSVSFVPURYTUAI-YEJXKQKISA-N 0 0 319.471 0.411 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN1CCCCC1=O ZINC000735099543 666952080 /nfs/dbraw/zinc/95/20/80/666952080.db2.gz IJAAURMQRIVGJI-FQEVSTJZSA-N 0 0 303.428 0.457 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCCC2(CC2)CC1 ZINC000702491386 666960722 /nfs/dbraw/zinc/96/07/22/666960722.db2.gz LUDDNASMVXWCDO-GFCCVEGCSA-N 0 0 300.424 0.556 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccccc1N(C)C ZINC000735200395 666964908 /nfs/dbraw/zinc/96/49/08/666964908.db2.gz PYBGVGVXVHNDMX-OAQYLSRUSA-N 0 0 311.407 0.576 10 0 DCAERN CCCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702816972 666999912 /nfs/dbraw/zinc/99/99/12/666999912.db2.gz RZEFZRNUWSTLGK-NWDGAFQWSA-N 0 0 316.398 0.757 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2cnc(Br)cn2)C1 ZINC000703158607 667053750 /nfs/dbraw/zinc/05/37/50/667053750.db2.gz DPBWVQYOTXHGBK-ZETCQYMHSA-N 0 0 321.200 0.367 10 0 DCAERN O=C(NCCCC1CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000736381958 667159164 /nfs/dbraw/zinc/15/91/64/667159164.db2.gz NRHCXIJNLBCIMA-UHFFFAOYSA-N 0 0 319.427 0.138 10 0 DCAERN C[C@@H](CN1CCN(C2=NC[C@H](C)S2)CC1)CS(C)(=O)=O ZINC000119581947 667168122 /nfs/dbraw/zinc/16/81/22/667168122.db2.gz LSKHAGQBWQZHGV-RYUDHWBXSA-N 0 0 319.496 0.776 10 0 DCAERN CN(C)c1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)cc(=O)[nH]1 ZINC000864842535 667289130 /nfs/dbraw/zinc/28/91/30/667289130.db2.gz YDIYMDSTPWAACQ-NSHDSACASA-N 0 0 316.365 0.461 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@H]1CC=CCC1 ZINC000706834919 667425561 /nfs/dbraw/zinc/42/55/61/667425561.db2.gz DBIWGJBCMZBRCR-STQMWFEESA-N 0 0 300.424 0.626 10 0 DCAERN C[C@H]1c2sccc2CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000712287014 667626724 /nfs/dbraw/zinc/62/67/24/667626724.db2.gz XGZSGNUCGBKVET-JQWIXIFHSA-N 0 0 316.448 0.985 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCNc1ccccn1 ZINC000136172661 667701489 /nfs/dbraw/zinc/70/14/89/667701489.db2.gz CWDXVHNCEYBXKN-GFCCVEGCSA-N 0 0 308.407 0.921 10 0 DCAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cnc[nH]2)CCC(=O)N1C ZINC000886026656 667725561 /nfs/dbraw/zinc/72/55/61/667725561.db2.gz BWDMLWZRPYWFIX-MFKMUULPSA-N 0 0 316.365 0.483 10 0 DCAERN COc1ccccc1/C(C)=C\C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000886066037 667728122 /nfs/dbraw/zinc/72/81/22/667728122.db2.gz NIZKNRIEOVBZJN-LUJNMSEFSA-N 0 0 318.373 0.937 10 0 DCAERN CCc1occc1C(=O)N1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886078306 667729526 /nfs/dbraw/zinc/72/95/26/667729526.db2.gz VIGLIBRHJHAROW-MRXNPFEDSA-N 0 0 321.377 0.244 10 0 DCAERN CCn1nnc(C)c1CN1CCC[C@](O)(Cc2nc(C)no2)C1 ZINC000886091797 667730744 /nfs/dbraw/zinc/73/07/44/667730744.db2.gz XCOIFPUSOXKOFE-HNNXBMFYSA-N 0 0 320.397 0.867 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2nccn2C)C1=O ZINC000886088362 667730927 /nfs/dbraw/zinc/73/09/27/667730927.db2.gz PTLSVQRULOWJFH-GFCCVEGCSA-N 0 0 308.382 0.406 10 0 DCAERN COc1nccc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886088236 667731022 /nfs/dbraw/zinc/73/10/22/667731022.db2.gz FGNPNUQCEAONGX-HNNXBMFYSA-N 0 0 318.381 0.183 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cn[nH]c2)CCC(=O)N1C ZINC000886088357 667731045 /nfs/dbraw/zinc/73/10/45/667731045.db2.gz PDKIJECUECTKMY-GWCFXTLKSA-N 0 0 302.338 0.691 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@H](O)[C@@H](C)O ZINC000717384557 667743703 /nfs/dbraw/zinc/74/37/03/667743703.db2.gz JCXIRLKFHQTTBA-XCBNKYQSSA-N 0 0 305.172 0.742 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCOCC1CCOCC1 ZINC000740917765 667754451 /nfs/dbraw/zinc/75/44/51/667754451.db2.gz UNRJWOBSSVYPSV-OAQYLSRUSA-N 0 0 320.455 0.888 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCOC[C@H]1CCCO1 ZINC000741075977 667758015 /nfs/dbraw/zinc/75/80/15/667758015.db2.gz MAKSMBBAHWKPOS-ODXCJYRJSA-N 0 0 306.428 0.640 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCOC[C@H]1CCCO1 ZINC000741075976 667758062 /nfs/dbraw/zinc/75/80/62/667758062.db2.gz MAKSMBBAHWKPOS-MPBGBICISA-N 0 0 306.428 0.640 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCN1CCOC(C)(C)C1 ZINC000741085263 667758569 /nfs/dbraw/zinc/75/85/69/667758569.db2.gz NXUUIZHWZRQORV-FQEVSTJZSA-N 0 0 305.444 0.165 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000888536537 667762251 /nfs/dbraw/zinc/76/22/51/667762251.db2.gz AMRDUBRBIIGGQZ-NSHDSACASA-N 0 0 318.385 0.272 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCCOC[C@H]1CCCO1 ZINC000741322835 667767514 /nfs/dbraw/zinc/76/75/14/667767514.db2.gz WQQNBXJGOFYCJS-NEPJUHHUSA-N 0 0 303.380 0.647 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000741422438 667770956 /nfs/dbraw/zinc/77/09/56/667770956.db2.gz IMFAZHJAUMSYQD-WHEQGISXSA-N 0 0 323.418 0.638 10 0 DCAERN N=C1NC(=O)C(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)S1 ZINC000742598798 667794326 /nfs/dbraw/zinc/79/43/26/667794326.db2.gz PAAHCPPONGVTCN-RNFRBKRXSA-N 0 0 324.328 0.296 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)NC2COC2)N1Cc1ccccc1 ZINC000828126442 668139506 /nfs/dbraw/zinc/13/95/06/668139506.db2.gz ROUMCVWSODHUEW-UONOGXRCSA-N 0 0 303.362 0.020 10 0 DCAERN C[C@@H](Cc1cccs1)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126529791 668621105 /nfs/dbraw/zinc/62/11/05/668621105.db2.gz PENWAGGZPLUHLK-QWRGUYRKSA-N 0 0 316.448 0.572 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N(CC1CC1)CC1CC1 ZINC000126783592 668658833 /nfs/dbraw/zinc/65/88/33/668658833.db2.gz JSODFWUTDGDEKI-CYBMUJFWSA-N 0 0 300.424 0.412 10 0 DCAERN COC(=O)CCN(C(=O)CCc1ccnn1C)C1CCOCC1 ZINC000127313603 668917926 /nfs/dbraw/zinc/91/79/26/668917926.db2.gz NUDOABZIWHHHCI-UHFFFAOYSA-N 0 0 323.393 0.923 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000132573062 669733624 /nfs/dbraw/zinc/73/36/24/669733624.db2.gz FXUJMHZOYUHWSR-WDEREUQCSA-N 0 0 306.366 0.907 10 0 DCAERN Cc1cnn([C@@H]2CCCN(Cn3nc4cnccn4c3=O)C2)c1 ZINC000133054950 669775074 /nfs/dbraw/zinc/77/50/74/669775074.db2.gz HHJRCTNOQMVUQJ-CYBMUJFWSA-N 0 0 313.365 0.691 10 0 DCAERN CC(=O)OC1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 ZINC000133428829 669808751 /nfs/dbraw/zinc/80/87/51/669808751.db2.gz DQIBLRIQMJZWIS-SNVBAGLBSA-N 0 0 308.334 0.952 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000159899029 669943364 /nfs/dbraw/zinc/94/33/64/669943364.db2.gz UZGXFJBWVJIWQY-IHRRRGAJSA-N 0 0 306.387 0.682 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000191022224 669964387 /nfs/dbraw/zinc/96/43/87/669964387.db2.gz YPBRHLHVVATOCB-LSDHHAIUSA-N 0 0 322.430 0.936 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)c1cn2ccnc2s1 ZINC000188559583 670025408 /nfs/dbraw/zinc/02/54/08/670025408.db2.gz PZHHYAQXVPCUJY-UHFFFAOYSA-N 0 0 317.392 0.187 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000188909539 670064830 /nfs/dbraw/zinc/06/48/30/670064830.db2.gz PMFULPHPGUYDIM-DZGCQCFKSA-N 0 0 316.361 0.702 10 0 DCAERN CCC[C@@H]1CC(=O)N(CN2CCCN(CCOC)C(=O)C2)C1 ZINC000189303368 670109066 /nfs/dbraw/zinc/10/90/66/670109066.db2.gz SOZUJYYKJRSUBK-CQSZACIVSA-N 0 0 311.426 0.773 10 0 DCAERN COc1ccccc1NC(=O)CN(C)CCS(C)(=O)=O ZINC000076341137 670121665 /nfs/dbraw/zinc/12/16/65/670121665.db2.gz XWXKAFIPGOJSEB-UHFFFAOYSA-N 0 0 300.380 0.610 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C)nn1 ZINC000712702700 670150823 /nfs/dbraw/zinc/15/08/23/670150823.db2.gz QSMIJIIPOBFHEJ-VIFPVBQESA-N 0 0 301.368 0.794 10 0 DCAERN CCc1nnc(COC(=O)c2nn(CC)cc2[N+](=O)[O-])n1C ZINC000192426219 670163615 /nfs/dbraw/zinc/16/36/15/670163615.db2.gz DYCCPFPNFHQYEY-UHFFFAOYSA-N 0 0 308.298 0.859 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000192434517 670165395 /nfs/dbraw/zinc/16/53/95/670165395.db2.gz KZZLDBXLIWYAAS-VIFPVBQESA-N 0 0 322.321 0.979 10 0 DCAERN CN(C)c1cnn(Cc2cn(C)nc2Br)c(=O)c1 ZINC000713838874 670170190 /nfs/dbraw/zinc/17/01/90/670170190.db2.gz HEWAGVMFLONTOX-UHFFFAOYSA-N 0 0 312.171 0.854 10 0 DCAERN NS(=O)(=O)C1(CNc2ccc(Br)nn2)CC1 ZINC000713979332 670173440 /nfs/dbraw/zinc/17/34/40/670173440.db2.gz JUVBUKUNWWGPDC-UHFFFAOYSA-N 0 0 307.173 0.472 10 0 DCAERN CSc1ccccc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714260872 670182956 /nfs/dbraw/zinc/18/29/56/670182956.db2.gz XVUSVROMCAQOKT-UHFFFAOYSA-N 0 0 315.420 0.288 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000714290064 670183296 /nfs/dbraw/zinc/18/32/96/670183296.db2.gz JYABBGRQTQGQTP-UHFFFAOYSA-N 0 0 303.771 0.220 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1cscc1Cl ZINC000714297385 670183448 /nfs/dbraw/zinc/18/34/48/670183448.db2.gz DPVGHZCXFZNSDH-UHFFFAOYSA-N 0 0 309.800 0.281 10 0 DCAERN O=C(CNCC(F)(F)F)NCC[C@H]1CCCS1(=O)=O ZINC000714326402 670183916 /nfs/dbraw/zinc/18/39/16/670183916.db2.gz AZTBCSURYWXSEI-MRVPVSSYSA-N 0 0 302.318 0.222 10 0 DCAERN O=S(=O)(N[C@@H]1CCCC12OCCO2)c1cccnc1F ZINC000716026621 670227443 /nfs/dbraw/zinc/22/74/43/670227443.db2.gz MBPWFXJKYMTUQC-SNVBAGLBSA-N 0 0 302.327 0.795 10 0 DCAERN C[C@@H](O)c1nc2ccccc2n1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000193793654 670349467 /nfs/dbraw/zinc/34/94/67/670349467.db2.gz LNBLJMKYALVMDE-GHMZBOCLSA-N 0 0 318.377 0.683 10 0 DCAERN NC(=O)[C@@H]1CCN1c1ncc(I)cn1 ZINC000757147334 670353904 /nfs/dbraw/zinc/35/39/04/670353904.db2.gz PXMSWKMOVVOAAT-LURJTMIESA-N 0 0 304.091 0.145 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000194204018 670412591 /nfs/dbraw/zinc/41/25/91/670412591.db2.gz SUMGLXRFLYLKPZ-DTWKUNHWSA-N 0 0 308.350 0.790 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190300955 670412928 /nfs/dbraw/zinc/41/29/28/670412928.db2.gz CSMJFPZXIKBFKM-CMPLNLGQSA-N 0 0 320.397 0.832 10 0 DCAERN CCc1nnc(CN2C(=O)c3ccccc3S2(=O)=O)n1C ZINC000194658627 670449611 /nfs/dbraw/zinc/44/96/11/670449611.db2.gz WHSORBHKGLPWNZ-UHFFFAOYSA-N 0 0 306.347 0.722 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000194863367 670459911 /nfs/dbraw/zinc/45/99/11/670459911.db2.gz KBYYMNSOVJPIOJ-VXGBXAGGSA-N 0 0 310.375 0.660 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@@H](C)OC ZINC000195448024 670492618 /nfs/dbraw/zinc/49/26/18/670492618.db2.gz WEMLHLIWOXHKRY-SNVBAGLBSA-N 0 0 312.391 0.909 10 0 DCAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)N(C)C(C)C)CCO2)c1 ZINC000112094465 670541285 /nfs/dbraw/zinc/54/12/85/670541285.db2.gz QKELMFZLIPRDCJ-CYBMUJFWSA-N 0 0 316.427 0.477 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCc2cccnc2)c(=O)n(C)c1=O ZINC000113665891 670756620 /nfs/dbraw/zinc/75/66/20/670756620.db2.gz MPQDSMQMGZUPNO-AATRIKPKSA-N 0 0 315.329 0.278 10 0 DCAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]3CSCN3C(C)=O)c1-2 ZINC000115499285 670942266 /nfs/dbraw/zinc/94/22/66/670942266.db2.gz VGJRVLLFIVMKCI-VIFPVBQESA-N 0 0 322.394 0.719 10 0 DCAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)C(F)=C1CCCC1 ZINC000818368769 671010296 /nfs/dbraw/zinc/01/02/96/671010296.db2.gz QRJYMMBMAIPFET-LLVKDONJSA-N 0 0 321.356 0.841 10 0 DCAERN CCCCCCNC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887816 671137328 /nfs/dbraw/zinc/13/73/28/671137328.db2.gz IUCKFXSCMQEZLR-LBPRGKRZSA-N 0 0 305.444 0.306 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCOc2cccc(C=O)c2)C1 ZINC000121399248 671671220 /nfs/dbraw/zinc/67/12/20/671671220.db2.gz NVOSQOPUMFTMKA-UHFFFAOYSA-N 0 0 304.346 0.863 10 0 DCAERN COC(=O)c1cn(CN2CCC(N3CCCC3=O)CC2)nn1 ZINC000104655888 671987450 /nfs/dbraw/zinc/98/74/50/671987450.db2.gz OVTPKSXHXXRNHV-UHFFFAOYSA-N 0 0 307.354 0.109 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 ZINC000396746566 685271037 /nfs/dbraw/zinc/27/10/37/685271037.db2.gz ZJDACLISILJQNN-SECBINFHSA-N 0 0 317.798 0.990 10 0 DCAERN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)S(N)(=O)=O ZINC000398394611 685274272 /nfs/dbraw/zinc/27/42/72/685274272.db2.gz YFJPOKWBJLRHND-LURJTMIESA-N 0 0 321.742 0.655 10 0 DCAERN C[C@H](CNC(=O)c1cc(Cl)ncc1Cl)S(N)(=O)=O ZINC000398282745 685274388 /nfs/dbraw/zinc/27/43/88/685274388.db2.gz LVFPWHIRVATAKH-RXMQYKEDSA-N 0 0 312.178 0.795 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCCO)cc1 ZINC000494775801 685296022 /nfs/dbraw/zinc/29/60/22/685296022.db2.gz VACSWYXGUNMTKF-CYBMUJFWSA-N 0 0 310.375 0.918 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717275384 685303866 /nfs/dbraw/zinc/30/38/66/685303866.db2.gz JIMOBHPVLXNBQV-SNVBAGLBSA-N 0 0 308.400 0.131 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@H]2CCCN3C)c1Cl ZINC000720845319 685315392 /nfs/dbraw/zinc/31/53/92/685315392.db2.gz QMVWRFLOAVCUII-VHSXEESVSA-N 0 0 318.830 0.931 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(Br)n1 ZINC000720063105 685311408 /nfs/dbraw/zinc/31/14/08/685311408.db2.gz QWELIKAVHQNQMA-BRPSZJMVSA-N 0 0 300.156 0.691 10 0 DCAERN CO[C@@]1(CNCc2nccn2C(C)C)CCS(=O)(=O)C1 ZINC000721146299 685317148 /nfs/dbraw/zinc/31/71/48/685317148.db2.gz LFQQHVMBYZWCBI-CYBMUJFWSA-N 0 0 301.412 0.757 10 0 DCAERN CO[C@@]1(CNc2nccc(SC)n2)CCS(=O)(=O)C1 ZINC000721177494 685317389 /nfs/dbraw/zinc/31/73/89/685317389.db2.gz GPMWYIOIRVQGLN-LLVKDONJSA-N 0 0 303.409 0.814 10 0 DCAERN CCc1ncnc(NCC[C@@H]2CNCCS2(=O)=O)c1F ZINC000721809095 685319113 /nfs/dbraw/zinc/31/91/13/685319113.db2.gz WSQUHTLWWYWJKP-SECBINFHSA-N 0 0 302.375 0.367 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CSC(=O)N2)cc1 ZINC000040378185 685057550 /nfs/dbraw/zinc/05/75/50/685057550.db2.gz DFZFUOBYGLZYBH-QMMMGPOBSA-N 0 0 301.349 0.098 10 0 DCAERN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCC(=O)O2)c1 ZINC000088578616 685091861 /nfs/dbraw/zinc/09/18/61/685091861.db2.gz GLPCRUPRLABHMQ-CYBMUJFWSA-N 0 0 300.314 0.770 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)OCc1ccccc1C(N)=O ZINC000088810050 685093153 /nfs/dbraw/zinc/09/31/53/685093153.db2.gz GPBXNRPTDNHHSJ-UHFFFAOYSA-N 0 0 301.302 0.580 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(F)ccc1Br ZINC000096726667 685112577 /nfs/dbraw/zinc/11/25/77/685112577.db2.gz SPOUJFKINZPUKA-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN C#CCNC(=O)[C@@H](C)OC(=O)c1csc(-c2ncccn2)n1 ZINC000144849803 685129486 /nfs/dbraw/zinc/12/94/86/685129486.db2.gz QRGMXZUTUBATMU-SECBINFHSA-N 0 0 316.342 0.895 10 0 DCAERN CN1CC[C@@H](NC(=O)c2cccc(CN3CCCC3=O)c2)C1=O ZINC000152517924 685132915 /nfs/dbraw/zinc/13/29/15/685132915.db2.gz WPQQQGCTSLRSNY-CQSZACIVSA-N 0 0 315.373 0.770 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)NCCS(=O)(=O)N(C)C ZINC000399095457 1157529402 /nfs/dbraw/zinc/52/94/02/1157529402.db2.gz XZKVUSUMQZNXQY-UHFFFAOYSA-N 0 0 303.359 0.338 10 0 DCAERN O=C(c1coc(Br)c1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000396793600 1157939941 /nfs/dbraw/zinc/93/99/41/1157939941.db2.gz CJIVSPBHSJZBFE-RKDXNWHRSA-N 0 0 304.140 0.857 10 0 DCAERN CCc1cc(C(=O)NCCCS(N)(=O)=O)cc(Cl)n1 ZINC000228110596 1157963155 /nfs/dbraw/zinc/96/31/55/1157963155.db2.gz YUZDYKHHGLQBDY-UHFFFAOYSA-N 0 0 305.787 0.706 10 0 DCAERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000398505829 1158123330 /nfs/dbraw/zinc/12/33/30/1158123330.db2.gz NWNIMEBVWXNHMC-SSDOTTSWSA-N 0 0 300.156 0.985 10 0 DCAERN C[C@H](CCCCO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000398558447 1158128124 /nfs/dbraw/zinc/12/81/24/1158128124.db2.gz ZVTSCWIHDCKOEA-MNOVXSKESA-N 0 0 309.453 0.574 10 0 DCAERN CCNC(=O)NCCNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380723020 1158331483 /nfs/dbraw/zinc/33/14/83/1158331483.db2.gz JNAMQSFEFWPFBC-UHFFFAOYSA-N 0 0 324.765 0.472 10 0 DCAERN CC(=O)Nc1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441005 1171567831 /nfs/dbraw/zinc/56/78/31/1171567831.db2.gz VSJBPXJILGAMMV-UHFFFAOYSA-N 0 0 316.317 0.511 10 0 DCAERN COC(=O)c1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441084 1171568469 /nfs/dbraw/zinc/56/84/69/1171568469.db2.gz KAEREYYIRWHAIR-UHFFFAOYSA-N 0 0 317.301 0.339 10 0 DCAERN CC(=O)N1CCCN(C(=O)CN(C)C(=O)c2ccccc2)CC1 ZINC000044684323 1171574678 /nfs/dbraw/zinc/57/46/78/1171574678.db2.gz GSZBGCBZOLWFLP-UHFFFAOYSA-N 0 0 317.389 0.839 10 0 DCAERN CCNc1ncc(C(=O)NCCNS(C)(=O)=O)cc1Cl ZINC000050754165 1171738341 /nfs/dbraw/zinc/73/83/41/1171738341.db2.gz ATDRCCHKYDASGG-UHFFFAOYSA-N 0 0 320.802 0.446 10 0 DCAERN O=C(CCn1cncn1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000055316043 1171875481 /nfs/dbraw/zinc/87/54/81/1171875481.db2.gz YQJDXFGEVITTMD-UHFFFAOYSA-N 0 0 317.349 0.682 10 0 DCAERN CCCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000066406938 1173759393 /nfs/dbraw/zinc/75/93/93/1173759393.db2.gz GDHHTVJPNIBHBU-UHFFFAOYSA-N 0 0 304.354 0.634 10 0 DCAERN CCOC(=O)CCCNC(=O)CSC[C@@H](C)C(=O)OC ZINC000078821214 1174268004 /nfs/dbraw/zinc/26/80/04/1174268004.db2.gz YGWPOEGWSYDSBV-SNVBAGLBSA-N 0 0 305.396 0.988 10 0 DCAERN COC(=O)c1sc(N[C@@H]2CCC(=O)NC2=O)nc1Cl ZINC000090019888 1175371289 /nfs/dbraw/zinc/37/12/89/1175371289.db2.gz PIKVAONJCNLWDY-SCSAIBSYSA-N 0 0 303.727 0.800 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NCCS(N)(=O)=O ZINC000094042572 1175693926 /nfs/dbraw/zinc/69/39/26/1175693926.db2.gz YSLHVRTVFLETMH-UHFFFAOYSA-N 0 0 322.184 0.050 10 0 DCAERN CN1CCN(C(=O)c2cc(Br)ccc2N)CC1=O ZINC000124032996 1177094090 /nfs/dbraw/zinc/09/40/90/1177094090.db2.gz VWSNWRSFWHFRSI-UHFFFAOYSA-N 0 0 312.167 0.946 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(N)ccc2C)C1 ZINC000133396168 1177528265 /nfs/dbraw/zinc/52/82/65/1177528265.db2.gz QJWZERHEOLREMM-NSHDSACASA-N 0 0 313.379 0.696 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)c1cccc(Cl)c1N ZINC000230979304 1180554395 /nfs/dbraw/zinc/55/43/95/1180554395.db2.gz IFBUACQTCBRHLQ-UHFFFAOYSA-N 0 0 305.787 0.543 10 0 DCAERN COc1cc(OC)cc(C(=O)NCCNC(=O)[C@H]2CCCO2)c1 ZINC000169837594 1183609936 /nfs/dbraw/zinc/60/99/36/1183609936.db2.gz GBMIUFUFOCPDNJ-CQSZACIVSA-N 0 0 322.361 0.729 10 0 DCAERN COC(=O)C[C@@H]1CCCN1C(=O)Cn1nnc2ccccc21 ZINC000178800714 1185158987 /nfs/dbraw/zinc/15/89/87/1185158987.db2.gz BMMCMFBYMBLHRD-NSHDSACASA-N 0 0 302.334 0.985 10 0 DCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)C2CC(=O)C2)s1 ZINC000183579900 1185194173 /nfs/dbraw/zinc/19/41/73/1185194173.db2.gz SKEZCXVDUAQIJB-UHFFFAOYSA-N 0 0 316.404 0.430 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000275109621 1187209249 /nfs/dbraw/zinc/20/92/49/1187209249.db2.gz HAOUHEHSRAFHAG-AWEZNQCLSA-N 0 0 305.382 0.528 10 0 DCAERN CCCN(CCO)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307902205 1190385541 /nfs/dbraw/zinc/38/55/41/1190385541.db2.gz HYCUVCXAQDBWJT-UHFFFAOYSA-N 0 0 300.380 0.517 10 0 DCAERN O=S(=O)(N[C@@H]1COC[C@@H]1O)c1c(Cl)nc2ccccn21 ZINC000323535284 1190445075 /nfs/dbraw/zinc/44/50/75/1190445075.db2.gz OEPPBBCKKRDOBJ-SFYZADRCSA-N 0 0 317.754 0.026 10 0 DCAERN CC1(C)OCC[C@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000381255161 1190698975 /nfs/dbraw/zinc/69/89/75/1190698975.db2.gz VUWZLAUIYQGCSW-SECBINFHSA-N 0 0 318.420 0.622 10 0 DCAERN CC1(C)OCC[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000392940557 1190701215 /nfs/dbraw/zinc/70/12/15/1190701215.db2.gz GJBXOKVJSHFJFJ-QMMMGPOBSA-N 0 0 304.393 0.693 10 0 DCAERN O=C1CCCN1CCCNS(=O)(=O)c1cccnc1F ZINC000401922773 748480934 /nfs/dbraw/zinc/48/09/34/748480934.db2.gz JVHZXEXNOZMEGO-UHFFFAOYSA-N 0 0 301.343 0.512 10 0 DCAERN COC[C@H](CO)NC(=O)c1ccc(Br)cc1N ZINC000229124782 768593399 /nfs/dbraw/zinc/59/33/99/768593399.db2.gz VGYSBIPRENGSCO-QMMMGPOBSA-N 0 0 303.156 0.768 10 0 DCAERN CN1CCN(S(=O)(=O)c2cccnc2F)C(C)(C)C1=O ZINC000401823836 774067895 /nfs/dbraw/zinc/06/78/95/774067895.db2.gz FROFCLPNBJFMMZ-UHFFFAOYSA-N 0 0 301.343 0.462 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CCC(F)(F)[C@@H](CO)C1 ZINC000403297070 774100133 /nfs/dbraw/zinc/10/01/33/774100133.db2.gz QPXQHJFUEHOUNQ-MRVPVSSYSA-N 0 0 310.297 0.859 10 0 DCAERN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000696837020 954822021 /nfs/dbraw/zinc/82/20/21/954822021.db2.gz AOJJLHWMOUVDHW-MDZLAQPJSA-N 0 0 305.396 0.375 10 0 DCAERN CCNC(=O)CN(CC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000078938690 185131847 /nfs/dbraw/zinc/13/18/47/185131847.db2.gz ZCZRZWJNUFNSDZ-UHFFFAOYSA-N 0 0 304.350 0.314 10 0 DCAERN Cc1cc(Br)cnc1N1CC[C@](O)(C(N)=O)C1 ZINC000278745334 214371364 /nfs/dbraw/zinc/37/13/64/214371364.db2.gz MDMBDVRMGAYQSE-LLVKDONJSA-N 0 0 300.156 0.579 10 0 DCAERN CC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@H](O)C(F)(F)F ZINC000408396798 529612754 /nfs/dbraw/zinc/61/27/54/529612754.db2.gz QQXNPKAIIBSMFZ-SFYZADRCSA-N 0 0 318.317 0.128 10 0 DCAERN CCCCn1c(N)c(C(=O)Nc2nccs2)c(=O)n(C)c1=O ZINC000089955402 185271828 /nfs/dbraw/zinc/27/18/28/185271828.db2.gz CCRUQNGCQJTYKD-UHFFFAOYSA-N 0 0 323.378 0.638 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178413103 529750524 /nfs/dbraw/zinc/75/05/24/529750524.db2.gz JNRKZTBUYLSHQP-ZYHUDNBSSA-N 0 0 322.413 0.745 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccccn2)CC1 ZINC000181526955 199311687 /nfs/dbraw/zinc/31/16/87/199311687.db2.gz KGFJOOWCAMVQDE-HNNXBMFYSA-N 0 0 306.410 0.722 10 0 DCAERN CN1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)ncn2)CCC1=O ZINC000246714333 529821613 /nfs/dbraw/zinc/82/16/13/529821613.db2.gz UAHWZKKMVRMZDT-OLZOCXBDSA-N 0 0 319.409 0.718 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000172391838 529828448 /nfs/dbraw/zinc/82/84/48/529828448.db2.gz MQUGOPMLZZKDAI-SNVBAGLBSA-N 0 0 322.331 0.497 10 0 DCAERN CNC(=O)CC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000186191568 529844299 /nfs/dbraw/zinc/84/42/99/529844299.db2.gz VJBDGBKAYJTFSC-UHFFFAOYSA-N 0 0 324.425 0.745 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C(=O)Nc2ccsc2)CCO1 ZINC000275877772 529852471 /nfs/dbraw/zinc/85/24/71/529852471.db2.gz GUIXNLXMZSDNQR-NSHDSACASA-N 0 0 312.395 0.398 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190773977 295714587 /nfs/dbraw/zinc/71/45/87/295714587.db2.gz AUDXZOKGPXAJKO-VXGBXAGGSA-N 0 0 302.330 0.734 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCO[C@@]4(CCOC4)C3)cn12 ZINC000274388975 282347526 /nfs/dbraw/zinc/34/75/26/282347526.db2.gz BSEWLMAPYFCKDY-HNNXBMFYSA-N 0 0 302.334 0.669 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CC(=O)N(C)C2)CCS1(=O)=O ZINC000408380182 282366466 /nfs/dbraw/zinc/36/64/66/282366466.db2.gz VBAKEPVUEXRKJZ-NSHDSACASA-N 0 0 316.423 0.281 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408260795 303984666 /nfs/dbraw/zinc/98/46/66/303984666.db2.gz YKOQSUKXHBRZIN-BLLLJJGKSA-N 0 0 317.393 0.579 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)CCNC(=O)c2cccs2)C1 ZINC000108459306 185514502 /nfs/dbraw/zinc/51/45/02/185514502.db2.gz DXOBUOPHTGPUTE-SNVBAGLBSA-N 0 0 310.375 0.890 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2c(C)noc2C)CC1 ZINC000181727684 199344523 /nfs/dbraw/zinc/34/45/23/199344523.db2.gz SRTRPNVGNUWXGQ-AWEZNQCLSA-N 0 0 324.425 0.932 10 0 DCAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](CO)NC(N)=O)C2)c1 ZINC000181955026 199366736 /nfs/dbraw/zinc/36/67/36/199366736.db2.gz ZVVGTDSWYMQMQX-TZMCWYRMSA-N 0 0 305.378 0.649 10 0 DCAERN CO[C@]1(C)CCCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000279868779 215192759 /nfs/dbraw/zinc/19/27/59/215192759.db2.gz DJUCAHYEOBXVBZ-OAHLLOKOSA-N 0 0 318.381 0.826 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCO[C@]2(CCOC2)C1 ZINC000408273733 295792219 /nfs/dbraw/zinc/79/22/19/295792219.db2.gz FUDIWEKEPDOESK-IUODEOHRSA-N 0 0 306.366 0.468 10 0 DCAERN O=C(c1cc(Cl)ccc1F)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856759 192387649 /nfs/dbraw/zinc/38/76/49/192387649.db2.gz XVFUQIHNXMTWKE-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN CN1CCO[C@@H](CNc2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000170999728 197863631 /nfs/dbraw/zinc/86/36/31/197863631.db2.gz ZSWFDWVNPMIETD-OLZOCXBDSA-N 0 0 307.398 0.180 10 0 DCAERN COC(=O)C1(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC000408243613 290895604 /nfs/dbraw/zinc/89/56/04/290895604.db2.gz ISXIILBSFJNPAF-RWMBFGLXSA-N 0 0 311.378 0.982 10 0 DCAERN NS(=O)(=O)CCN1CCN(C(=O)Nc2ccccc2)CC1 ZINC000173290618 186172731 /nfs/dbraw/zinc/17/27/31/186172731.db2.gz LBXAVBVUXZRBKU-UHFFFAOYSA-N 0 0 312.395 0.125 10 0 DCAERN O=C(NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)CC1 ZINC000173291230 186172871 /nfs/dbraw/zinc/17/28/71/186172871.db2.gz PDQVZGHMYBQBNX-UHFFFAOYSA-N 0 0 305.353 0.749 10 0 DCAERN O=C(Nc1cccnc1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000177896011 186200632 /nfs/dbraw/zinc/20/06/32/186200632.db2.gz JXCMRMITYSSXKZ-NSHDSACASA-N 0 0 303.240 0.546 10 0 DCAERN COC[C@H](O)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183838861 186222812 /nfs/dbraw/zinc/22/28/12/186222812.db2.gz QTERPQIQQPZJBZ-SNVBAGLBSA-N 0 0 309.288 0.963 10 0 DCAERN O=C([C@@H]1CN(c2cccc(Cl)c2)CCO1)N1CCNC(=O)C1 ZINC000072352800 191128912 /nfs/dbraw/zinc/12/89/12/191128912.db2.gz UFNHMAFWSVTTBC-ZDUSSCGKSA-N 0 0 323.780 0.504 10 0 DCAERN O=C(CN1CCc2[nH]c3ccccc3c2C1)N1CCNC(=O)C1 ZINC000171617871 197954065 /nfs/dbraw/zinc/95/40/65/197954065.db2.gz HGQDCZUESGTAMK-UHFFFAOYSA-N 0 0 312.373 0.484 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N1CCC[C@@H]1CO ZINC000121160750 304019178 /nfs/dbraw/zinc/01/91/78/304019178.db2.gz NTNMKQDAUZXKQC-GFCCVEGCSA-N 0 0 321.381 0.705 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCC1CC1 ZINC000172080815 198036779 /nfs/dbraw/zinc/03/67/79/198036779.db2.gz BJCHWTNIQUKLMV-UHFFFAOYSA-N 0 0 310.375 0.863 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000408040687 290933737 /nfs/dbraw/zinc/93/37/37/290933737.db2.gz JBJLZXMTDNHKRZ-UHFFFAOYSA-N 0 0 303.380 0.223 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000172026891 198028515 /nfs/dbraw/zinc/02/85/15/198028515.db2.gz GCJMRYFFKPBGMJ-ZDUSSCGKSA-N 0 0 313.361 0.682 10 0 DCAERN CN1CC[C@H](NC(=O)NCc2cnn(-c3ccccc3)c2)C1=O ZINC000172343619 198082556 /nfs/dbraw/zinc/08/25/56/198082556.db2.gz POFCKMBPPBXICR-AWEZNQCLSA-N 0 0 313.361 0.902 10 0 DCAERN Nc1ncnc2c1c(Br)cn2COC(CO)CO ZINC000000003901 180668171 /nfs/dbraw/zinc/66/81/71/180668171.db2.gz QTMAZYGAVHCKKX-UHFFFAOYSA-N 0 0 317.143 0.103 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000172656833 198133247 /nfs/dbraw/zinc/13/32/47/198133247.db2.gz DJTJAEVJVDXFJS-MRVPVSSYSA-N 0 0 314.411 0.907 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2Cl)CCO1 ZINC000173363393 198207629 /nfs/dbraw/zinc/20/76/29/198207629.db2.gz FLQOQVQBYXGNDJ-SECBINFHSA-N 0 0 323.802 0.418 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000173616083 198232313 /nfs/dbraw/zinc/23/23/13/198232313.db2.gz CTOPRUVLPIKMJT-UHFFFAOYSA-N 0 0 316.409 0.647 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1N1CCOCC1 ZINC000173855049 198260923 /nfs/dbraw/zinc/26/09/23/198260923.db2.gz WCHKOZKFHGPVKA-DZGCQCFKSA-N 0 0 318.421 0.940 10 0 DCAERN COCCn1ccc(N[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)n1 ZINC000174097722 198290990 /nfs/dbraw/zinc/29/09/90/198290990.db2.gz AXTJZBFQQAAPGL-NSHDSACASA-N 0 0 323.397 0.067 10 0 DCAERN Cc1ccc(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1C ZINC000174270489 198312838 /nfs/dbraw/zinc/31/28/38/198312838.db2.gz QRECEEUMCUQJBF-CYBMUJFWSA-N 0 0 304.346 0.994 10 0 DCAERN O=C(CCCOc1ccc(F)cc1)N[C@H]1CCC(=O)NC1=O ZINC000174274265 198313844 /nfs/dbraw/zinc/31/38/44/198313844.db2.gz APKSZTQEKOZRJO-LBPRGKRZSA-N 0 0 308.309 0.906 10 0 DCAERN CN1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000248152270 282919411 /nfs/dbraw/zinc/91/94/11/282919411.db2.gz ULTFJGFXROXAAR-CQSZACIVSA-N 0 0 319.430 0.976 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332885543 291004807 /nfs/dbraw/zinc/00/48/07/291004807.db2.gz GBBCBMVXSOSNLH-IXLVHKGHSA-N 0 0 302.396 0.286 10 0 DCAERN Cn1cnn(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1=O ZINC000182198503 199402492 /nfs/dbraw/zinc/40/24/92/199402492.db2.gz FEKGCZFDJIYLQX-ZDUSSCGKSA-N 0 0 308.382 0.532 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CC2CCC1CC2 ZINC000312816491 291013098 /nfs/dbraw/zinc/01/30/98/291013098.db2.gz MFFHYFCEOUGIAN-HTAVTVPLSA-N 0 0 304.412 0.894 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000249956297 291014583 /nfs/dbraw/zinc/01/45/83/291014583.db2.gz BZHFDXCNRIKAPX-QWHCGFSZSA-N 0 0 312.391 0.872 10 0 DCAERN O=C1NC(=O)[C@H](CCS(=O)(=O)Nc2cccc(Cl)c2)N1 ZINC000004429539 181109035 /nfs/dbraw/zinc/10/90/35/181109035.db2.gz YDECWPVBRRGPND-VIFPVBQESA-N 0 0 317.754 0.680 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182519809 199452998 /nfs/dbraw/zinc/45/29/98/199452998.db2.gz NWQPJQBCLWVBLS-ZIAGYGMSSA-N 0 0 320.393 0.893 10 0 DCAERN CCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[C@H]1CC(=O)N(C)C1=O ZINC000329590014 283027057 /nfs/dbraw/zinc/02/70/57/283027057.db2.gz SUTLQLVCOSDILW-KZVDOYCCSA-N 0 0 324.377 0.034 10 0 DCAERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[C@H](C)N1CCOCC1 ZINC000332840909 299218109 /nfs/dbraw/zinc/21/81/09/299218109.db2.gz ASNJYXSPDPDUQG-BTFPBAQTSA-N 0 0 312.410 0.263 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4c3CCCC4)C[C@@H]21 ZINC000328871516 283029411 /nfs/dbraw/zinc/02/94/11/283029411.db2.gz DNIJWVXNQPPSNB-GJZGRUSLSA-N 0 0 304.394 0.765 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@H]21 ZINC000408294476 283033500 /nfs/dbraw/zinc/03/35/00/283033500.db2.gz MYGSXEHUPOAQOX-OCCSQVGLSA-N 0 0 302.334 0.825 10 0 DCAERN COc1ccc(OC)c(CCNC(=O)C2=NNC(=O)CC2)c1 ZINC000074933073 191389214 /nfs/dbraw/zinc/38/92/14/191389214.db2.gz RGHVOOOLQIQMJB-UHFFFAOYSA-N 0 0 305.334 0.629 10 0 DCAERN CC(C)N(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000080304074 192021784 /nfs/dbraw/zinc/02/17/84/192021784.db2.gz BYOBUTVJLZAZFS-JTQLQIEISA-N 0 0 309.391 0.980 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000177628021 198753224 /nfs/dbraw/zinc/75/32/24/198753224.db2.gz TUOOKVMAGPGIHX-CYBMUJFWSA-N 0 0 313.361 0.965 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)n1cncn1 ZINC000178000390 198801442 /nfs/dbraw/zinc/80/14/42/198801442.db2.gz DWHVQOCBIBFELK-AGIUHOORSA-N 0 0 320.349 0.783 10 0 DCAERN Cc1nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000178651127 198903938 /nfs/dbraw/zinc/90/39/38/198903938.db2.gz UGPLUUVLSSEXNO-SECBINFHSA-N 0 0 303.409 0.524 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC000179376762 199024819 /nfs/dbraw/zinc/02/48/19/199024819.db2.gz BUEZQHASZPVZOV-UHFFFAOYSA-N 0 0 301.306 0.975 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000180255386 199137388 /nfs/dbraw/zinc/13/73/88/199137388.db2.gz WOIHLYWNEMMRII-JSGCOSHPSA-N 0 0 318.377 0.199 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NCCCOCCO)CC2=O)cc1 ZINC000180367032 199150139 /nfs/dbraw/zinc/15/01/39/199150139.db2.gz DKIYTFXYKFZYOA-CQSZACIVSA-N 0 0 320.389 0.863 10 0 DCAERN Cc1cccc(C)c1CC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000180423121 199157160 /nfs/dbraw/zinc/15/71/60/199157160.db2.gz FQJZMSMETLSASZ-ZDUSSCGKSA-N 0 0 310.419 0.996 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000180485419 199165203 /nfs/dbraw/zinc/16/52/03/199165203.db2.gz PONMXOYXKYPFMB-RISCZKNCSA-N 0 0 305.378 0.888 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)Nc1nnc2n1CCCC2 ZINC000180893144 199225205 /nfs/dbraw/zinc/22/52/05/199225205.db2.gz NGJYJGOPYYOSMF-UHFFFAOYSA-N 0 0 312.333 0.896 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000408257527 283374509 /nfs/dbraw/zinc/37/45/09/283374509.db2.gz QLSKRAKXEJPRSB-AAVRWANBSA-N 0 0 310.442 0.883 10 0 DCAERN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N1CCC[C@H]1CO ZINC000120952251 295979731 /nfs/dbraw/zinc/97/97/31/295979731.db2.gz NTNMKQDAUZXKQC-LBPRGKRZSA-N 0 0 321.381 0.705 10 0 DCAERN COCCN1CCN(C(=O)CCOC2CCOCC2)C[C@H]1C ZINC000175423884 237183487 /nfs/dbraw/zinc/18/34/87/237183487.db2.gz VNOZAVFACUNEDV-CQSZACIVSA-N 0 0 314.426 0.751 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccn3)CC2)O1 ZINC000178019104 237217170 /nfs/dbraw/zinc/21/71/70/237217170.db2.gz NWXOYFNTCHBLDH-GXTWGEPZSA-N 0 0 303.362 0.934 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCCCc2ccccn2)o1 ZINC000178831964 237238642 /nfs/dbraw/zinc/23/86/42/237238642.db2.gz OXYLRCOHWAIBMN-UHFFFAOYSA-N 0 0 309.347 0.685 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1C ZINC000187254499 200083886 /nfs/dbraw/zinc/08/38/86/200083886.db2.gz OPNAKYMPOKOEDL-SNVBAGLBSA-N 0 0 323.393 0.557 10 0 DCAERN COc1ccc(NC(=O)CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000187735716 237357859 /nfs/dbraw/zinc/35/78/59/237357859.db2.gz AQRDBBXXGVOUGV-CYBMUJFWSA-N 0 0 307.394 0.632 10 0 DCAERN C[C@H](NC(=O)NCc1cc(C(N)=O)co1)C(=O)NC(C)(C)C ZINC000188002620 237363143 /nfs/dbraw/zinc/36/31/43/237363143.db2.gz URCNSZDGOHFOCL-QMMMGPOBSA-N 0 0 310.354 0.481 10 0 DCAERN C[C@H]([C@H](C)NC(=O)NCc1cc(C(N)=O)co1)N1CCOCC1 ZINC000187033203 237340130 /nfs/dbraw/zinc/34/01/30/237340130.db2.gz DBDKAJZEXHXXKZ-WDEREUQCSA-N 0 0 324.381 0.287 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193377509 237483696 /nfs/dbraw/zinc/48/36/96/237483696.db2.gz KMZFDLAHBHGVER-VIFPVBQESA-N 0 0 300.318 0.453 10 0 DCAERN CCN1CC(=O)N([C@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272194997 209571677 /nfs/dbraw/zinc/57/16/77/209571677.db2.gz QKKBLJOCPPRNQQ-NSHDSACASA-N 0 0 319.365 0.508 10 0 DCAERN CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188734128 200296470 /nfs/dbraw/zinc/29/64/70/200296470.db2.gz XUACJTHRDOXBJE-LLVKDONJSA-N 0 0 324.406 0.161 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000153854569 291208810 /nfs/dbraw/zinc/20/88/10/291208810.db2.gz NYCWTNSXSFWNHZ-WCQYABFASA-N 0 0 313.361 0.923 10 0 DCAERN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)CCS1(=O)=O ZINC000427449602 240360174 /nfs/dbraw/zinc/36/01/74/240360174.db2.gz PCEUDQVWELKOSA-SNVBAGLBSA-N 0 0 322.390 0.674 10 0 DCAERN NC(=O)c1ccc(Cl)cc1OC[C@H](O)CN1CCOCC1 ZINC000154625025 291214761 /nfs/dbraw/zinc/21/47/61/291214761.db2.gz JUWSODHSERSCJD-LLVKDONJSA-N 0 0 314.769 0.511 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOC[C@H]1CCCO1 ZINC000154571398 291214797 /nfs/dbraw/zinc/21/47/97/291214797.db2.gz RNQQUZPQAFTMNX-GFCCVEGCSA-N 0 0 309.366 0.440 10 0 DCAERN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000155287859 291218995 /nfs/dbraw/zinc/21/89/95/291218995.db2.gz KNVYNHBLLKCCAX-CHWSQXEVSA-N 0 0 320.455 0.978 10 0 DCAERN Cc1nc(C(=O)NCCCOC[C@@H]2CCOC2)c(=O)[nH]c1C ZINC000156295439 291224584 /nfs/dbraw/zinc/22/45/84/291224584.db2.gz IIAJGZMBDCEQEO-LBPRGKRZSA-N 0 0 309.366 0.560 10 0 DCAERN COc1cc(F)c(NC(=O)C(=O)NCc2ccnn2C)cc1F ZINC000157106333 291227386 /nfs/dbraw/zinc/22/73/86/291227386.db2.gz LHRQRCZBCIBGIJ-UHFFFAOYSA-N 0 0 324.287 0.962 10 0 DCAERN CCC(C)(C)NC(=O)CN(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000161641198 291242228 /nfs/dbraw/zinc/24/22/28/291242228.db2.gz JMZCNWMSOCFTEL-GFCCVEGCSA-N 0 0 320.455 0.427 10 0 DCAERN CCNC(=O)CN(CC)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162099440 291243505 /nfs/dbraw/zinc/24/35/05/291243505.db2.gz TZZLKIVGAHPUON-GFCCVEGCSA-N 0 0 308.378 0.931 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000162152517 291243202 /nfs/dbraw/zinc/24/32/02/291243202.db2.gz UROZCLNEAVDDSB-UHFFFAOYSA-N 0 0 323.299 0.664 10 0 DCAERN CNC(=O)Cc1noc(CCc2ccc3c(c2)OCCO3)n1 ZINC000162953809 291245297 /nfs/dbraw/zinc/24/52/97/291245297.db2.gz BXTKPVKILLLEBV-UHFFFAOYSA-N 0 0 303.318 0.915 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000162974159 291245918 /nfs/dbraw/zinc/24/59/18/291245918.db2.gz DCXZZXWOASSADZ-GFCCVEGCSA-N 0 0 308.378 0.835 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000163623521 291246502 /nfs/dbraw/zinc/24/65/02/291246502.db2.gz ZPDYNGOPTHXDRB-GHMZBOCLSA-N 0 0 304.350 0.441 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H]3C)CCO2)c1 ZINC000270676054 291250722 /nfs/dbraw/zinc/25/07/22/291250722.db2.gz ROCVFGUBODHTIO-MELADBBJSA-N 0 0 308.382 0.779 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)COC[C@H]2CCCO2)CCN1C ZINC000328616996 291259616 /nfs/dbraw/zinc/25/96/16/291259616.db2.gz CGFGZRXZBHAYAM-ZIAGYGMSSA-N 0 0 322.409 0.431 10 0 DCAERN O=C([C@@H]1CCc2nncn2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328924832 296052420 /nfs/dbraw/zinc/05/24/20/296052420.db2.gz NVUXPZXDPGBXFF-XJKCOSOUSA-N 0 0 304.394 0.994 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000173792772 299338429 /nfs/dbraw/zinc/33/84/29/299338429.db2.gz UWXYRQLWBKZNNV-DDNJXNFVSA-N 0 0 300.424 0.865 10 0 DCAERN Cn1cc([C@H](CO)NC(=O)N[C@H]2CCCc3nn(C)cc32)cn1 ZINC000566725738 291319851 /nfs/dbraw/zinc/31/98/51/291319851.db2.gz TVDNUDDAJXSLDN-JSGCOSHPSA-N 0 0 318.381 0.564 10 0 DCAERN O=C(NCCN1CC=CCC1)C(=O)Nc1ccc2nccn2c1 ZINC000567008639 291332862 /nfs/dbraw/zinc/33/28/62/291332862.db2.gz CFSYWNNRQDCTSU-UHFFFAOYSA-N 0 0 313.361 0.651 10 0 DCAERN CCc1nn(CC(=O)NCc2cccnc2)c(=O)c2cccn21 ZINC000006780704 181386581 /nfs/dbraw/zinc/38/65/81/181386581.db2.gz ICLLBCINKKULNX-UHFFFAOYSA-N 0 0 311.345 0.770 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H](C)CN2CCCC2=O)n1 ZINC000441247582 240506923 /nfs/dbraw/zinc/50/69/23/240506923.db2.gz RWAKATQFDSSVMT-GFCCVEGCSA-N 0 0 320.393 0.943 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCCO ZINC000442998641 240552457 /nfs/dbraw/zinc/55/24/57/240552457.db2.gz DVDPSAUDZINSTL-LBPRGKRZSA-N 0 0 306.428 0.422 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451672988 240682291 /nfs/dbraw/zinc/68/22/91/240682291.db2.gz RGLOWIVQWIQIQQ-NSHDSACASA-N 0 0 317.389 0.970 10 0 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/nfs/dbraw/zinc/70/62/61/204706261.db2.gz NSDFHNCMPIUIGD-RYUDHWBXSA-N 0 0 315.381 0.612 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC000572087475 291548030 /nfs/dbraw/zinc/54/80/30/291548030.db2.gz WVQSMYPCWGROCD-XWSJDDSLSA-N 0 0 307.394 0.577 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000266108554 205104173 /nfs/dbraw/zinc/10/41/73/205104173.db2.gz MGPSBKJCNUSWTE-CHWSQXEVSA-N 0 0 316.357 0.980 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000274685183 211829336 /nfs/dbraw/zinc/82/93/36/211829336.db2.gz TZPVNMRSCZAZIO-NSHDSACASA-N 0 0 324.410 0.898 10 0 DCAERN CN1CC[C@@H](NC(=O)c2ncsc2Br)C1=O ZINC000288406515 220137659 /nfs/dbraw/zinc/13/76/59/220137659.db2.gz IJUUYMOHPNPZOM-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN CC(C)CNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000017129003 182076459 /nfs/dbraw/zinc/07/64/59/182076459.db2.gz PGZAVEMTKOWRNT-JTQLQIEISA-N 0 0 309.391 0.886 10 0 DCAERN 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320.440 0.087 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000072524164 296261041 /nfs/dbraw/zinc/26/10/41/296261041.db2.gz FQOOCHVJTWMDFP-UPJWGTAASA-N 0 0 305.382 0.897 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000102198511 193868390 /nfs/dbraw/zinc/86/83/90/193868390.db2.gz IYWSUBRGQDKZHD-UHFFFAOYSA-N 0 0 320.374 0.196 10 0 DCAERN COc1cccc(N2CC[C@@H](CNS(=O)(=O)N(C)C)C2)c1 ZINC000102414421 193884729 /nfs/dbraw/zinc/88/47/29/193884729.db2.gz AYGYZBQQCYXYIA-LBPRGKRZSA-N 0 0 313.423 0.918 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000103958908 193968669 /nfs/dbraw/zinc/96/86/69/193968669.db2.gz QQWPHARVIWPGAD-LBPRGKRZSA-N 0 0 323.780 0.807 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000104358541 194001851 /nfs/dbraw/zinc/00/18/51/194001851.db2.gz FPLYNGHXDGKYSK-CQSZACIVSA-N 0 0 313.361 0.677 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000104880374 194049854 /nfs/dbraw/zinc/04/98/54/194049854.db2.gz 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/nfs/dbraw/zinc/20/25/18/194202518.db2.gz RPFNTNUHKJLVTM-JTQLQIEISA-N 0 0 307.398 0.746 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000106458610 194218109 /nfs/dbraw/zinc/21/81/09/194218109.db2.gz SEOGOWXMUJTFGW-AWEZNQCLSA-N 0 0 315.377 0.480 10 0 DCAERN NS(=O)(=O)c1ccc(CCNC(=O)c2ccn[nH]2)s1 ZINC000048579856 183667521 /nfs/dbraw/zinc/66/75/21/183667521.db2.gz CLQUFRGQRSAPFX-UHFFFAOYSA-N 0 0 300.365 0.091 10 0 DCAERN O=C(CCCn1cnc2ccccc2c1=O)N1CCNC(=O)C1 ZINC000053666476 183909692 /nfs/dbraw/zinc/90/96/92/183909692.db2.gz IXDKJKDGMYONGQ-UHFFFAOYSA-N 0 0 314.345 0.135 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000329725127 296318326 /nfs/dbraw/zinc/31/83/26/296318326.db2.gz DKEKTLRUCYPOPM-TZMCWYRMSA-N 0 0 317.455 0.558 10 0 DCAERN CN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccnn2C)c1 ZINC000056040473 184003699 /nfs/dbraw/zinc/00/36/99/184003699.db2.gz SIAIQDOCCOWLCB-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN C[C@@H](NC(=O)NCc1ccnn1C)C(=O)NCc1ccccc1 ZINC000056759504 184018808 /nfs/dbraw/zinc/01/88/08/184018808.db2.gz CONCPRATNOOFOG-GFCCVEGCSA-N 0 0 315.377 0.924 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H](C)CC(N)=S ZINC000063088455 184270333 /nfs/dbraw/zinc/27/03/33/184270333.db2.gz HDGWMYSYGTXRQS-ZETCQYMHSA-N 0 0 304.441 0.722 10 0 DCAERN COc1cc(NS(=O)(=O)CCS(C)(=O)=O)ccc1N ZINC000063143641 184273781 /nfs/dbraw/zinc/27/37/81/184273781.db2.gz SMBDJBLPMZQXJT-UHFFFAOYSA-N 0 0 308.381 0.064 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N3CCOCC3)c2)no1 ZINC000064593360 184301188 /nfs/dbraw/zinc/30/11/88/184301188.db2.gz NLDOYERKNOBNFR-UHFFFAOYSA-N 0 0 316.317 0.842 10 0 DCAERN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCO[C@H](C(N)=O)C1 ZINC000065263439 184319215 /nfs/dbraw/zinc/31/92/15/184319215.db2.gz ASTJAHKQAOTNEE-JQWIXIFHSA-N 0 0 302.334 0.984 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)c2cccc(C)c2)CC1 ZINC000065523822 184359822 /nfs/dbraw/zinc/35/98/22/184359822.db2.gz STLPFUUISDEQKM-UHFFFAOYSA-N 0 0 324.402 0.459 10 0 DCAERN COc1cc(N2CCN(c3nccnc3N(C)C)CC2)ncn1 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/nfs/dbraw/zinc/39/45/07/296394507.db2.gz KNPFIOUPBNYDGW-GWCFXTLKSA-N 0 0 310.737 0.940 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)NC[C@@H]2CC[C@H](CO)O2)c1 ZINC000349671789 254292228 /nfs/dbraw/zinc/29/22/28/254292228.db2.gz UJZKQBBMOUFTFZ-LSDHHAIUSA-N 0 0 320.389 0.635 10 0 DCAERN COc1cccc(OC)c1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350618775 254319418 /nfs/dbraw/zinc/31/94/18/254319418.db2.gz FXBSZKRBGUYBBN-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350621927 254320351 /nfs/dbraw/zinc/32/03/51/254320351.db2.gz WKFSDMUDIJYDQH-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350622287 254320458 /nfs/dbraw/zinc/32/04/58/254320458.db2.gz ZAHRTIJNXDOUHJ-RKDXNWHRSA-N 0 0 304.343 0.386 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000352080705 254396363 /nfs/dbraw/zinc/39/63/63/254396363.db2.gz AZFNFXOTTHJWPK-ZETCQYMHSA-N 0 0 315.171 0.895 10 0 DCAERN O=C(c1cn(Cc2cccs2)nn1)N1C[C@@H](F)C[C@H]1CO ZINC000372554047 220521507 /nfs/dbraw/zinc/52/15/07/220521507.db2.gz CIUGJPUMJZGANL-UWVGGRQHSA-N 0 0 310.354 0.933 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[C@@H](C)O)cc1 ZINC000120742993 195229447 /nfs/dbraw/zinc/22/94/47/195229447.db2.gz FZWANTSFDBATLR-WDEREUQCSA-N 0 0 314.407 0.732 10 0 DCAERN CC(=O)N1CC[C@@]2(C1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000247935483 257114134 /nfs/dbraw/zinc/11/41/34/257114134.db2.gz LHHXAAROXQTYLH-YPMHNXCESA-N 0 0 302.396 0.238 10 0 DCAERN Cc1ccc(N2C[C@H]3COC[C@@]3(CNC(=O)C3CC3)C2)nn1 ZINC000247918121 257115276 /nfs/dbraw/zinc/11/52/76/257115276.db2.gz NAVGKLQWBSNGIC-XJKSGUPXSA-N 0 0 302.378 0.764 10 0 DCAERN O=S(=O)(NC[C@@H]1Cn2nccc2CN(C2CCC2)C1)C1CC1 ZINC000247334025 257120111 /nfs/dbraw/zinc/12/01/11/257120111.db2.gz QAWVVVJGTYEOEA-LBPRGKRZSA-N 0 0 324.450 0.949 10 0 DCAERN O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247301350 257120348 /nfs/dbraw/zinc/12/03/48/257120348.db2.gz FDYCZCCNSLWDKM-ZDUSSCGKSA-N 0 0 311.407 0.986 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NC2(CO)CCCC2)CC1 ZINC000178285424 533316743 /nfs/dbraw/zinc/31/67/43/533316743.db2.gz LIMIKDUGAJHUPM-UHFFFAOYSA-N 0 0 318.439 0.947 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155601372 533612050 /nfs/dbraw/zinc/61/20/50/533612050.db2.gz UZFDUPQDFONTRR-JHJVBQTASA-N 0 0 302.440 0.800 10 0 DCAERN C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000330350571 300019768 /nfs/dbraw/zinc/01/97/68/300019768.db2.gz LGENUOWQWSIHGW-WDEREUQCSA-N 0 0 311.425 0.004 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CN1CSCC1=O ZINC000275338477 130306825 /nfs/dbraw/zinc/30/68/25/130306825.db2.gz ASOKKAGCGGDMRI-IINYFYTJSA-N 0 0 324.406 0.147 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)c1=O ZINC000275727086 130371294 /nfs/dbraw/zinc/37/12/94/130371294.db2.gz OSGLJNKURNSJCR-QWHCGFSZSA-N 0 0 320.393 0.434 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@H]21 ZINC000283958033 131036555 /nfs/dbraw/zinc/03/65/55/131036555.db2.gz GIHKTYVWNFEMRD-VXGBXAGGSA-N 0 0 323.418 0.409 10 0 DCAERN Cn1cc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000284082884 131046385 /nfs/dbraw/zinc/04/63/85/131046385.db2.gz RFPNYBCJHCKZKM-KBPBESRZSA-N 0 0 307.398 0.077 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CCNC(=O)c3ccco3)C[C@@H]21 ZINC000284278621 131066285 /nfs/dbraw/zinc/06/62/85/131066285.db2.gz YRUQUDFBLHBILP-STQMWFEESA-N 0 0 321.377 0.331 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)cc1F ZINC000284581587 131094357 /nfs/dbraw/zinc/09/43/57/131094357.db2.gz AEGAUGXWTMMYBN-ABAIWWIYSA-N 0 0 323.368 0.325 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cc1F ZINC000284584408 131094700 /nfs/dbraw/zinc/09/47/00/131094700.db2.gz ITMQLRIAGJIREN-OAHLLOKOSA-N 0 0 320.324 0.615 10 0 DCAERN C[C@H]1OCCN(Cc2cnn(-c3ccccc3)c2)[C@@H]1C(N)=O ZINC000284655968 131101356 /nfs/dbraw/zinc/10/13/56/131101356.db2.gz PUKRANZIHBGXPU-DOMZBBRYSA-N 0 0 300.362 0.947 10 0 DCAERN OCc1cc2ccccc2nc1N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284717276 131106533 /nfs/dbraw/zinc/10/65/33/131106533.db2.gz ZYTXAMXKKPHEES-MRXNPFEDSA-N 0 0 311.345 0.943 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284819681 131112958 /nfs/dbraw/zinc/11/29/58/131112958.db2.gz OAKAVFSNQBLIFH-OAHLLOKOSA-N 0 0 312.333 0.275 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000284825028 131114432 /nfs/dbraw/zinc/11/44/32/131114432.db2.gz CEOGQYVXSNEFIL-GDLVEWKHSA-N 0 0 324.327 0.907 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284851185 131116238 /nfs/dbraw/zinc/11/62/38/131116238.db2.gz QJBQGEMJNUCEOV-ZIAGYGMSSA-N 0 0 307.398 0.919 10 0 DCAERN O=C(CN1CCCCCCC1=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285299835 131156018 /nfs/dbraw/zinc/15/60/18/131156018.db2.gz RZAGFQBTHFBNST-QWHCGFSZSA-N 0 0 321.381 0.127 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3nccs3)C[C@@H]21 ZINC000285494508 131173834 /nfs/dbraw/zinc/17/38/34/131173834.db2.gz RJXSDUFKNZBJHM-RYUDHWBXSA-N 0 0 310.423 0.800 10 0 DCAERN O=C([C@@H]1CC(=O)C[C@@H]1C(=O)N1CCCCO1)N1CCCCO1 ZINC000333130042 304293862 /nfs/dbraw/zinc/29/38/62/304293862.db2.gz WPOSLEDZIJGRMP-BETUJISGSA-N 0 0 310.350 0.690 10 0 DCAERN C[C@@H]1CN(c2nccnc2OC(F)F)CCS(=O)(=O)C1 ZINC000289527669 131393282 /nfs/dbraw/zinc/39/32/82/131393282.db2.gz DQKCHPZEGGZQLX-MRVPVSSYSA-N 0 0 307.322 0.949 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000290811422 131518875 /nfs/dbraw/zinc/51/88/75/131518875.db2.gz SFSQITFZVTZSBD-QMMMGPOBSA-N 0 0 315.273 0.253 10 0 DCAERN O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccccc1F ZINC000120158515 132139846 /nfs/dbraw/zinc/13/98/46/132139846.db2.gz GUYOZGJWAFUHRT-CYBMUJFWSA-N 0 0 303.355 0.893 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000121281573 132153189 /nfs/dbraw/zinc/15/31/89/132153189.db2.gz PWWXKVMZKDJMSZ-BDAKNGLRSA-N 0 0 312.320 0.717 10 0 DCAERN C[C@@H]1CCC[C@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334087402 296495671 /nfs/dbraw/zinc/49/56/71/296495671.db2.gz MOFXLWIISLEMNR-CZXHOFHRSA-N 0 0 309.370 0.068 10 0 DCAERN NC(=O)NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396460 395690524 /nfs/dbraw/zinc/69/05/24/395690524.db2.gz WWFBXAKTYAQYBZ-UHFFFAOYSA-N 0 0 318.377 0.210 10 0 DCAERN C[C@H](C(=O)N1CCSc2ccccc21)N1CCNC(=O)C1 ZINC000026196562 395694092 /nfs/dbraw/zinc/69/40/92/395694092.db2.gz KDLGINVEZJIOAT-LLVKDONJSA-N 0 0 305.403 0.946 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000022062421 395691754 /nfs/dbraw/zinc/69/17/54/395691754.db2.gz XCDVOAZVARITEI-HLZFJGBKSA-N 0 0 323.345 0.338 10 0 DCAERN COCCCn1cc(I)c(=O)[nH]c1=O ZINC000086788555 395705155 /nfs/dbraw/zinc/70/51/55/395705155.db2.gz WVOIZHFJNXPASI-UHFFFAOYSA-N 0 0 310.091 0.178 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)CC2 ZINC000089482547 395712218 /nfs/dbraw/zinc/71/22/18/395712218.db2.gz HOPSCDXJBMGCNC-QJPTWQEYSA-N 0 0 323.397 0.152 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CCO1 ZINC000028036364 395695656 /nfs/dbraw/zinc/69/56/56/395695656.db2.gz CUUWKXZFZZDDAU-GFCCVEGCSA-N 0 0 312.391 0.846 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)c(F)cc1F ZINC000084674139 395698325 /nfs/dbraw/zinc/69/83/25/395698325.db2.gz WGJFLYXFTXJBLP-SNVBAGLBSA-N 0 0 304.318 0.830 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000091414261 395724859 /nfs/dbraw/zinc/72/48/59/395724859.db2.gz JGFYUZXAEWXNAI-UHFFFAOYSA-N 0 0 309.753 0.873 10 0 DCAERN C[C@@H]1CC(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000094056209 395739909 /nfs/dbraw/zinc/73/99/09/395739909.db2.gz XGPRVSPVVCWPFM-NQBHXWOUSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C[C@H]1O ZINC000093348386 395738387 /nfs/dbraw/zinc/73/83/87/395738387.db2.gz MFFXMBRQBZJDDK-NWDGAFQWSA-N 0 0 307.398 0.917 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000042008789 395741582 /nfs/dbraw/zinc/74/15/82/395741582.db2.gz PDJIDNSHDHJXRY-RISCZKNCSA-N 0 0 304.346 0.906 10 0 DCAERN CC(C)CC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000043618743 395754026 /nfs/dbraw/zinc/75/40/26/395754026.db2.gz VVPYLBHOYCJTAJ-CQSZACIVSA-N 0 0 311.426 0.424 10 0 DCAERN COCCN(Cc1ccc(F)cc1C(=O)OC)[C@H](C)C(N)=O ZINC000106312628 395781753 /nfs/dbraw/zinc/78/17/53/395781753.db2.gz CCDKMONVZGRWIH-SNVBAGLBSA-N 0 0 312.341 0.935 10 0 DCAERN O=C(CNC(=O)c1nc2ccccc2c(=O)[nH]1)Nc1cccnc1 ZINC000101603716 395765599 /nfs/dbraw/zinc/76/55/99/395765599.db2.gz HYGLNZQRVOPSBF-UHFFFAOYSA-N 0 0 323.312 0.687 10 0 DCAERN COCC(=O)N1CCN(Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000103468746 395772511 /nfs/dbraw/zinc/77/25/11/395772511.db2.gz ARBQMJXOERAMEM-UHFFFAOYSA-N 0 0 324.352 0.903 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000104035741 395776847 /nfs/dbraw/zinc/77/68/47/395776847.db2.gz IJIDFCTUHZTURB-GXFFZTMASA-N 0 0 318.377 0.866 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000194625220 395802672 /nfs/dbraw/zinc/80/26/72/395802672.db2.gz POZUZSZUTPEWKU-CYBMUJFWSA-N 0 0 303.362 0.632 10 0 DCAERN C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000111268466 395804467 /nfs/dbraw/zinc/80/44/67/395804467.db2.gz HMLWKSCRARMPEE-RKDXNWHRSA-N 0 0 306.391 0.799 10 0 DCAERN CCCS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000111345349 395807607 /nfs/dbraw/zinc/80/76/07/395807607.db2.gz JUCKPQPNLZNNBC-CYBMUJFWSA-N 0 0 301.412 0.941 10 0 DCAERN O=S(=O)(CCNCc1cncnc1)NC[C@H]1CCCCO1 ZINC000111405036 395808145 /nfs/dbraw/zinc/80/81/45/395808145.db2.gz WGACHQLSDGJNPT-CYBMUJFWSA-N 0 0 314.411 0.055 10 0 DCAERN COc1cccc2c1OCC(C(=O)NC[C@H]1CN(C)CCO1)=C2 ZINC000194844813 395809183 /nfs/dbraw/zinc/80/91/83/395809183.db2.gz PIEJZAWQNPGMJR-AWEZNQCLSA-N 0 0 318.373 0.918 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000194871432 395810559 /nfs/dbraw/zinc/81/05/59/395810559.db2.gz IHSAYRVEUIIENV-WCQYABFASA-N 0 0 324.402 0.908 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(O)c(OC)c2)C1 ZINC000194989923 395812902 /nfs/dbraw/zinc/81/29/02/395812902.db2.gz DXOTWPPQICDUMR-GFCCVEGCSA-N 0 0 314.407 0.914 10 0 DCAERN O=C(CCS(=O)(=O)C1CCCC1)N1CCNC(=O)CC1 ZINC000194958961 395813086 /nfs/dbraw/zinc/81/30/86/395813086.db2.gz ZKZKKHCAZHKOMA-UHFFFAOYSA-N 0 0 302.396 0.082 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CC1(Cl)Cl ZINC000194999619 395813105 /nfs/dbraw/zinc/81/31/05/395813105.db2.gz WGQFYLYDAPUFAF-MNOVXSKESA-N 0 0 320.176 0.771 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195079776 395815417 /nfs/dbraw/zinc/81/54/17/395815417.db2.gz RINJXKOYPMFGQL-CYBMUJFWSA-N 0 0 317.389 0.861 10 0 DCAERN O=C(CN1CCC(c2cc[nH]n2)CC1)NCC(=O)N1CCCC1 ZINC000195505099 395829767 /nfs/dbraw/zinc/82/97/67/395829767.db2.gz JAGFHQDYOKYPLN-UHFFFAOYSA-N 0 0 319.409 0.328 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1F ZINC000049240814 395829759 /nfs/dbraw/zinc/82/97/59/395829759.db2.gz WFOVUPNHJHQMMD-SNVBAGLBSA-N 0 0 304.318 0.864 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NCC[C@@H](C)O)c2)no1 ZINC000114842788 395837791 /nfs/dbraw/zinc/83/77/91/395837791.db2.gz UOUCXQYWZSXZIL-SECBINFHSA-N 0 0 318.333 0.871 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000115382650 395839430 /nfs/dbraw/zinc/83/94/30/395839430.db2.gz XCLBAOQCIRWRBX-NSHDSACASA-N 0 0 321.406 0.639 10 0 DCAERN CC(=O)N1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000051152709 395846873 /nfs/dbraw/zinc/84/68/73/395846873.db2.gz YLVNSDPIIHVQQE-GJZGRUSLSA-N 0 0 309.410 0.321 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000225476086 395860804 /nfs/dbraw/zinc/86/08/04/395860804.db2.gz QLSKGSWZILREDC-CQSZACIVSA-N 0 0 308.288 0.725 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000116836048 395847926 /nfs/dbraw/zinc/84/79/26/395847926.db2.gz HIEMSININNAPIN-CYBMUJFWSA-N 0 0 314.382 0.908 10 0 DCAERN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000116986596 395850257 /nfs/dbraw/zinc/85/02/57/395850257.db2.gz WJNPJVWFVFNADE-GXTWGEPZSA-N 0 0 306.362 0.760 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H]3C(=O)NCC[C@H]3C)no2)c1 ZINC000194291282 395792843 /nfs/dbraw/zinc/79/28/43/395792843.db2.gz GRULPTPZXPRSBN-MFKMUULPSA-N 0 0 317.349 0.482 10 0 DCAERN CCc1nc2n(n1)C[C@@H](Nc1ccc(C(=O)OC)nn1)CC2 ZINC000108948388 395795324 /nfs/dbraw/zinc/79/53/24/395795324.db2.gz JFLXSCNOQALSMF-VIFPVBQESA-N 0 0 302.338 0.844 10 0 DCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000270666117 395795656 /nfs/dbraw/zinc/79/56/56/395795656.db2.gz VDMSTELMANIIPO-WCBMZHEXSA-N 0 0 312.347 0.587 10 0 DCAERN CC[NH+]1CCN(c2ccccc2NC(=O)CCNC(N)=O)CC1 ZINC000194550991 395799780 /nfs/dbraw/zinc/79/97/80/395799780.db2.gz QWNLNWXVQQIJCT-UHFFFAOYSA-N 0 0 319.409 0.825 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000194633207 395802179 /nfs/dbraw/zinc/80/21/79/395802179.db2.gz WLCBRBFWYWMKJP-HZPDHXFCSA-N 0 0 319.405 0.701 10 0 DCAERN Cn1nc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)ccc1=O ZINC000110957820 395802392 /nfs/dbraw/zinc/80/23/92/395802392.db2.gz RNSJPDGFFOQUJZ-CYBMUJFWSA-N 0 0 320.393 0.107 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000245431585 395929296 /nfs/dbraw/zinc/92/92/96/395929296.db2.gz OCJVGQAOEFTPKC-IAQYHMDHSA-N 0 0 308.426 0.805 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2C)C[C@@H](C)O1 ZINC000123767143 395896456 /nfs/dbraw/zinc/89/64/56/395896456.db2.gz OQYLVRYPLHYMKL-HIFRSBDPSA-N 0 0 320.389 0.874 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1C ZINC000124196033 395900006 /nfs/dbraw/zinc/90/00/06/395900006.db2.gz IOUFUZAOEVGIJU-NWDGAFQWSA-N 0 0 321.377 0.573 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(OC)CC1 ZINC000054483636 395901206 /nfs/dbraw/zinc/90/12/06/395901206.db2.gz XAOXQCWATSBBDN-CYBMUJFWSA-N 0 0 318.439 0.828 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000245445341 395930139 /nfs/dbraw/zinc/93/01/39/395930139.db2.gz YUROLMRTWJQVEV-SRVKXCTJSA-N 0 0 319.365 0.471 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(C2CC2)CC1 ZINC000126068790 395909173 /nfs/dbraw/zinc/90/91/73/395909173.db2.gz RRNAIKUKYHPRIL-LBPRGKRZSA-N 0 0 316.405 0.893 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000126336811 395911768 /nfs/dbraw/zinc/91/17/68/395911768.db2.gz IXAMENLETXODPI-LBPRGKRZSA-N 0 0 319.409 0.923 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)[C@H]2COCCN2)ccc1F ZINC000237580517 395916116 /nfs/dbraw/zinc/91/61/16/395916116.db2.gz IREVWOMYHYUGCH-LLVKDONJSA-N 0 0 306.301 0.037 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@@H](C)O1 ZINC000128283112 395917609 /nfs/dbraw/zinc/91/76/09/395917609.db2.gz GMMJSVTXHNFOQA-MFKMUULPSA-N 0 0 307.350 0.622 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCn2cccn2)[C@H]1c1cccnc1 ZINC000129172000 395919680 /nfs/dbraw/zinc/91/96/80/395919680.db2.gz FRVAKHZXZZQBIW-DZGCQCFKSA-N 0 0 313.361 0.614 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1=O ZINC000273414742 395920087 /nfs/dbraw/zinc/92/00/87/395920087.db2.gz CRLCYHLZIPTADE-WDEREUQCSA-N 0 0 309.366 0.355 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1COCCN1 ZINC000238132621 395922150 /nfs/dbraw/zinc/92/21/50/395922150.db2.gz ARJIFGZHEOLPBD-ZIAGYGMSSA-N 0 0 303.362 0.287 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)[C@@H]1CCCO1 ZINC000131403469 395924638 /nfs/dbraw/zinc/92/46/38/395924638.db2.gz QHBRZXCNXZGDJV-QCNOEVLYSA-N 0 0 304.412 0.771 10 0 DCAERN CN1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1=O ZINC000132831730 395927140 /nfs/dbraw/zinc/92/71/40/395927140.db2.gz KKGXWQLXOLUUMV-UHFFFAOYSA-N 0 0 306.746 0.942 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cnc2n(c1=O)CCS2 ZINC000225657229 395862154 /nfs/dbraw/zinc/86/21/54/395862154.db2.gz NTUXYXSPYZBWNM-MWLCHTKSSA-N 0 0 309.391 0.630 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cnc2n(c1=O)CCS2 ZINC000225657300 395862558 /nfs/dbraw/zinc/86/25/58/395862558.db2.gz NTUXYXSPYZBWNM-ONGXEEELSA-N 0 0 309.391 0.630 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)n(C)n1 ZINC000118674215 395862653 /nfs/dbraw/zinc/86/26/53/395862653.db2.gz QEUKMRCRNJRQOV-LBPRGKRZSA-N 0 0 300.366 0.917 10 0 DCAERN CN1N=C(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CCC1=O ZINC000118674728 395862950 /nfs/dbraw/zinc/86/29/50/395862950.db2.gz SVCHYBJBJIGMAU-LLVKDONJSA-N 0 0 316.365 0.170 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(=O)[nH]1 ZINC000118669973 395863003 /nfs/dbraw/zinc/86/30/03/395863003.db2.gz KYVBAWFWOSQGKM-GFCCVEGCSA-N 0 0 313.361 0.872 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000228065902 395870613 /nfs/dbraw/zinc/87/06/13/395870613.db2.gz YJVKPXKPJJSAEB-POYBYMJQSA-N 0 0 313.832 0.464 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)O)cc1 ZINC000228064198 395870622 /nfs/dbraw/zinc/87/06/22/395870622.db2.gz OCTJOYVSFZGENT-MNOVXSKESA-N 0 0 315.391 0.840 10 0 DCAERN CNC(=O)CCCN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000119934453 395878665 /nfs/dbraw/zinc/87/86/65/395878665.db2.gz SEURWOURGYJNGW-UHFFFAOYSA-N 0 0 316.361 0.381 10 0 DCAERN C[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(-n2ccnn2)cc1 ZINC000119926690 395879300 /nfs/dbraw/zinc/87/93/00/395879300.db2.gz QFJSCEGUGCXQCC-JTQLQIEISA-N 0 0 314.349 0.645 10 0 DCAERN CN(C(=O)[C@H]1CNC(=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122421390 395886489 /nfs/dbraw/zinc/88/64/89/395886489.db2.gz DUSUNCFIKZVKHW-VXGBXAGGSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000248839442 395998154 /nfs/dbraw/zinc/99/81/54/395998154.db2.gz PALXMSVEZAHPGF-VHSXEESVSA-N 0 0 317.436 0.979 10 0 DCAERN Cc1nnc([C@H]2CN(C[C@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000248833244 395998402 /nfs/dbraw/zinc/99/84/02/395998402.db2.gz IXRJUZBCGAJFOO-VXGBXAGGSA-N 0 0 306.366 0.972 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000245784017 395936219 /nfs/dbraw/zinc/93/62/19/395936219.db2.gz SDVWGPJYQVOHMV-MDZLAQPJSA-N 0 0 306.366 0.607 10 0 DCAERN Cc1cnn(C[C@@H]2CN([C@H](C)CN3CCOCC3)CCO2)c1 ZINC000245940097 395939108 /nfs/dbraw/zinc/93/91/08/395939108.db2.gz APHLYPZJHIQQIM-CVEARBPZSA-N 0 0 308.426 0.613 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245991901 395939507 /nfs/dbraw/zinc/93/95/07/395939507.db2.gz MDHWMEQFQNAXQI-YVECIDJPSA-N 0 0 321.377 0.501 10 0 DCAERN CN1C[C@@H](NC(=O)Cn2cc(-c3ccccc3)nn2)CCC1=O ZINC000135513443 395940504 /nfs/dbraw/zinc/94/05/04/395940504.db2.gz KZIDLFLGGKSIDO-ZDUSSCGKSA-N 0 0 313.361 0.682 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276454975 395999119 /nfs/dbraw/zinc/99/91/19/395999119.db2.gz HHJQSYNHLLIRIK-ZBEGNZNMSA-N 0 0 320.345 0.105 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)c2cccs2)C[C@H]1C ZINC000246100865 395941435 /nfs/dbraw/zinc/94/14/35/395941435.db2.gz MEDBJLVUWSWRLY-MNOVXSKESA-N 0 0 304.437 0.824 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246243601 395945194 /nfs/dbraw/zinc/94/51/94/395945194.db2.gz MKTDNXIDUUENCD-WCQYABFASA-N 0 0 306.366 0.769 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C3CC(=O)C3)CC2)n1 ZINC000136955133 395949218 /nfs/dbraw/zinc/94/92/18/395949218.db2.gz KBRYSFCZDXHPIV-UHFFFAOYSA-N 0 0 304.350 0.503 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000246447646 395950041 /nfs/dbraw/zinc/95/00/41/395950041.db2.gz LILNUGLRZOEVKI-KCPJHIHWSA-N 0 0 306.362 0.792 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246486489 395951434 /nfs/dbraw/zinc/95/14/34/395951434.db2.gz NMLDNOZIRSHLRX-YIYPIFLZSA-N 0 0 311.426 0.598 10 0 DCAERN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1OC(C)=O ZINC000138492022 395952347 /nfs/dbraw/zinc/95/23/47/395952347.db2.gz ICAMXOWGAZACCP-FWXGHANASA-N 0 0 324.329 0.765 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000058446258 395953283 /nfs/dbraw/zinc/95/32/83/395953283.db2.gz HLLNXGNREQPXIR-VXGBXAGGSA-N 0 0 309.366 0.488 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H](C)COC)C[C@H]1C ZINC000246629679 395954318 /nfs/dbraw/zinc/95/43/18/395954318.db2.gz CMTPXZZCAHHKHB-OLZOCXBDSA-N 0 0 308.444 0.394 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[C@H](C)O ZINC000246819738 395958479 /nfs/dbraw/zinc/95/84/79/395958479.db2.gz BCOWLYKTAVBUIX-RWMBFGLXSA-N 0 0 320.455 0.714 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCC[C@H]1O)CC2 ZINC000246847260 395959467 /nfs/dbraw/zinc/95/94/67/395959467.db2.gz QNFNRWSQNVDGCX-JHJVBQTASA-N 0 0 321.425 0.958 10 0 DCAERN CCOC(OCC)[C@](O)(CO)[C@H](O)c1ccc(OC)cc1 ZINC000145296518 395964072 /nfs/dbraw/zinc/96/40/72/395964072.db2.gz JYZUPSTWTSBMNO-HIFRSBDPSA-N 0 0 300.351 0.851 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCOC3)C2)cn1 ZINC000247037289 395964865 /nfs/dbraw/zinc/96/48/65/395964865.db2.gz UWYQKHPVXUGWCF-OLZOCXBDSA-N 0 0 307.398 0.867 10 0 DCAERN CC(C)(C)NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000060941531 395965874 /nfs/dbraw/zinc/96/58/74/395965874.db2.gz JBCUKIOIGAHAQB-UHFFFAOYSA-N 0 0 324.469 0.531 10 0 DCAERN COc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nn1C ZINC000274708516 395969395 /nfs/dbraw/zinc/96/93/95/395969395.db2.gz SQUWAXCBGLDZCP-WCQYABFASA-N 0 0 308.382 0.221 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000247292048 395970728 /nfs/dbraw/zinc/97/07/28/395970728.db2.gz HCYSCCMOVOLICI-MGPQQGTHSA-N 0 0 316.357 0.928 10 0 DCAERN COc1c(C(=O)Nc2cnn(-c3ncccn3)c2)c(C)nn1C ZINC000150753346 395971632 /nfs/dbraw/zinc/97/16/32/395971632.db2.gz GLSGRBGLTDAOGQ-UHFFFAOYSA-N 0 0 313.321 0.965 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(C(N)=O)c(F)c2)C1 ZINC000150858144 395974302 /nfs/dbraw/zinc/97/43/02/395974302.db2.gz POFYNNMIVOGWQX-JTQLQIEISA-N 0 0 310.329 0.377 10 0 DCAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@@H]1CNC(=O)C1 ZINC000150952795 395976593 /nfs/dbraw/zinc/97/65/93/395976593.db2.gz GLILDZJTDVDQGQ-JTQLQIEISA-N 0 0 302.359 0.957 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCC(c3nncn3C)CC2)C1 ZINC000151101320 395978421 /nfs/dbraw/zinc/97/84/21/395978421.db2.gz BAGDSDHYZRUJSB-CYBMUJFWSA-N 0 0 319.409 0.780 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000151141332 395979658 /nfs/dbraw/zinc/97/96/58/395979658.db2.gz XIAMIMDWJDZDCF-NWDGAFQWSA-N 0 0 308.378 0.948 10 0 DCAERN CN(CC(=O)N[C@H]1CCCC[C@H]1CO)c1ncnc2nc[nH]c21 ZINC000247977748 395981108 /nfs/dbraw/zinc/98/11/08/395981108.db2.gz GSQAEVZYBRLBLU-QWRGUYRKSA-N 0 0 318.381 0.456 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1=O ZINC000247982542 395981662 /nfs/dbraw/zinc/98/16/62/395981662.db2.gz MZQZRHPHCLWOSG-KEYYUXOJSA-N 0 0 324.421 0.635 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000151228477 395982361 /nfs/dbraw/zinc/98/23/61/395982361.db2.gz FUZLWXWOMOVEBK-KBPBESRZSA-N 0 0 309.410 0.178 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)NCCn1cc(C)cn1 ZINC000151334913 395983984 /nfs/dbraw/zinc/98/39/84/395983984.db2.gz GRSPERYSPATVNW-UHFFFAOYSA-N 0 0 319.369 0.878 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000275523438 395984991 /nfs/dbraw/zinc/98/49/91/395984991.db2.gz CIKGBYSBEQSYRR-BFHYXJOUSA-N 0 0 319.409 0.870 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000248504483 395989117 /nfs/dbraw/zinc/98/91/17/395989117.db2.gz VPUKEPABRGNLIO-SOUVJXGZSA-N 0 0 323.437 0.328 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248528108 395989305 /nfs/dbraw/zinc/98/93/05/395989305.db2.gz DHSJEWNTSNCIKD-LOWVWBTDSA-N 0 0 321.381 0.396 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CCN1CCCC[C@]1(C)C(N)=O ZINC000248617766 395991049 /nfs/dbraw/zinc/99/10/49/395991049.db2.gz SBTBISKBXVTMCK-HZPDHXFCSA-N 0 0 310.442 0.446 10 0 DCAERN CCS[C@@H](C)c1noc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000151865393 395995159 /nfs/dbraw/zinc/99/51/59/395995159.db2.gz CTAWIYTVKFMTIA-UTLUCORTSA-N 0 0 314.411 0.958 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249073992 396002037 /nfs/dbraw/zinc/00/20/37/396002037.db2.gz LMAUSOPPAZKZBE-CABCVRRESA-N 0 0 320.499 0.978 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)NCC(=O)N(C)C)C1 ZINC000151965656 395997633 /nfs/dbraw/zinc/99/76/33/395997633.db2.gz VLRXFBUXJBBVPQ-LBPRGKRZSA-N 0 0 307.398 0.880 10 0 DCAERN Cc1nnc([C@@H]2CN([C@H](C)c3nnnn3C3CC3)CCO2)[nH]1 ZINC000248815888 395997902 /nfs/dbraw/zinc/99/79/02/395997902.db2.gz DODONDIPZHXABD-KCJUWKMLSA-N 0 0 304.358 0.569 10 0 DCAERN O=C(NCCN1CCOCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000153279841 396023290 /nfs/dbraw/zinc/02/32/90/396023290.db2.gz IFEQTCLEPAWTNX-AWEZNQCLSA-N 0 0 307.398 0.979 10 0 DCAERN CC[C@H]1CN(CCN2C(=O)CNC2=O)CCN1CC(F)F ZINC000153431425 396024636 /nfs/dbraw/zinc/02/46/36/396024636.db2.gz BSUKBUHTOHKERP-JTQLQIEISA-N 0 0 304.341 0.200 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN2c2cc(Cl)nc(N)n2)CC1 ZINC000067710772 396032019 /nfs/dbraw/zinc/03/20/19/396032019.db2.gz WAOVRTYEHQSCHV-SNVBAGLBSA-N 0 0 324.816 0.455 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154126674 396032368 /nfs/dbraw/zinc/03/23/68/396032368.db2.gz SJIDAWGUPQEVDM-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN COc1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1C ZINC000154157435 396033066 /nfs/dbraw/zinc/03/30/66/396033066.db2.gz SZUOAWIHNWPRJF-AWEZNQCLSA-N 0 0 308.378 0.427 10 0 DCAERN O=C(C(=S)N1CCOCC1)N(CCO)Cc1ccccc1 ZINC000256030424 396033649 /nfs/dbraw/zinc/03/36/49/396033649.db2.gz OBZNJGHJDACIAR-UHFFFAOYSA-N 0 0 308.403 0.667 10 0 DCAERN CCS(=O)(=O)N1CCCOCCNC(=O)[C@@H]2CCCC[C@@H]21 ZINC000257186801 396035374 /nfs/dbraw/zinc/03/53/74/396035374.db2.gz KTRHRAGXWFKZTE-OLZOCXBDSA-N 0 0 318.439 0.733 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155304144 396049446 /nfs/dbraw/zinc/04/94/46/396049446.db2.gz FXCUKDXQLXEUJY-VIFPVBQESA-N 0 0 317.436 0.979 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NOC[C@H]3CCOC3)C2)cn1 ZINC000249091144 396002625 /nfs/dbraw/zinc/00/26/25/396002625.db2.gz UQEYVFQEEKBTKZ-STQMWFEESA-N 0 0 323.397 0.656 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261831428 396070420 /nfs/dbraw/zinc/07/04/20/396070420.db2.gz OHSIAXKMZSCVRS-CYBMUJFWSA-N 0 0 321.406 0.633 10 0 DCAERN O=C(CN1CCN(C[C@@H]2CCCCO2)CC1)N1CCOCC1 ZINC000066695929 396013012 /nfs/dbraw/zinc/01/30/12/396013012.db2.gz GKTHANYFHWJRKW-HNNXBMFYSA-N 0 0 311.426 0.032 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c1Cl ZINC000249992259 396013600 /nfs/dbraw/zinc/01/36/00/396013600.db2.gz ZZOGXGKMVZRISH-YIZRAAEISA-N 0 0 305.787 0.919 10 0 DCAERN C[C@@H](CNC(=O)[C@H](C)OC[C@H]1CCCO1)N1CCOCC1 ZINC000250043150 396013755 /nfs/dbraw/zinc/01/37/55/396013755.db2.gz GNJHMXJNVZCIGA-MELADBBJSA-N 0 0 300.399 0.407 10 0 DCAERN O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278930008 396141030 /nfs/dbraw/zinc/14/10/30/396141030.db2.gz JWMMEOTUINVTOW-QGZVFWFLSA-N 0 0 300.358 0.903 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(=O)[O-] ZINC000169398069 396090428 /nfs/dbraw/zinc/09/04/28/396090428.db2.gz LSLXWOCIIFUZCQ-QJPTWQEYSA-N 0 0 315.414 0.336 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C2)no1 ZINC000170895662 396100380 /nfs/dbraw/zinc/10/03/80/396100380.db2.gz HLSRWDWQQFGUOL-JQWIXIFHSA-N 0 0 323.397 0.819 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)c(F)c1)[C@H]1CNC(=O)C1 ZINC000171068760 396105358 /nfs/dbraw/zinc/10/53/58/396105358.db2.gz LKDRRNPVMNZLJQ-SNVBAGLBSA-N 0 0 307.325 0.737 10 0 DCAERN CC(C)CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000070937740 396106913 /nfs/dbraw/zinc/10/69/13/396106913.db2.gz RIPLWUVYNKFSGN-UHFFFAOYSA-N 0 0 306.409 0.409 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCN3CCCC3=O)c2n1 ZINC000171180227 396109245 /nfs/dbraw/zinc/10/92/45/396109245.db2.gz KWXMLQHTGDRLFC-UHFFFAOYSA-N 0 0 301.350 0.780 10 0 DCAERN COC[C@@H](C)C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000171526287 396117689 /nfs/dbraw/zinc/11/76/89/396117689.db2.gz NCRDWBIKNMRSOB-MRVPVSSYSA-N 0 0 306.322 0.193 10 0 DCAERN CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CCCOC3)cc2C1 ZINC000171623825 396120709 /nfs/dbraw/zinc/12/07/09/396120709.db2.gz BIOOXERDTXJZSY-AWEZNQCLSA-N 0 0 303.362 0.866 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171661801 396121717 /nfs/dbraw/zinc/12/17/17/396121717.db2.gz ARTGGYYHLBRNPI-DGCLKSJQSA-N 0 0 317.349 0.853 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2cccc(CO)c2)C1 ZINC000171711797 396123325 /nfs/dbraw/zinc/12/33/25/396123325.db2.gz VJEBQHJEKCSQDX-OAHLLOKOSA-N 0 0 305.378 0.989 10 0 DCAERN COc1cccc([C@@H](C)N2CCN(CC(=O)NC(N)=O)CC2)c1 ZINC000171706997 396123531 /nfs/dbraw/zinc/12/35/31/396123531.db2.gz UYGQCXSAPKRGQL-GFCCVEGCSA-N 0 0 320.393 0.569 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N[C@@H]1CCCn2ncnc21 ZINC000175821501 396143022 /nfs/dbraw/zinc/14/30/22/396143022.db2.gz YXQMWQRZOFNDLP-GFCCVEGCSA-N 0 0 320.397 0.861 10 0 DCAERN O=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000171843978 396126129 /nfs/dbraw/zinc/12/61/29/396126129.db2.gz NINPJBJEVFXJTN-LLVKDONJSA-N 0 0 315.333 0.821 10 0 DCAERN Cn1c(=O)cc(CN2CCCC[C@H]2c2cn[nH]c2)n(C)c1=O ZINC000172068031 396128626 /nfs/dbraw/zinc/12/86/26/396128626.db2.gz XDXQFQXHWCWLCN-ZDUSSCGKSA-N 0 0 303.366 0.534 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000174910729 396139647 /nfs/dbraw/zinc/13/96/47/396139647.db2.gz MKJBMEPLPDVXAJ-XQQFMLRXSA-N 0 0 319.471 0.934 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)NCCCCC(=O)OC ZINC000069280955 396074155 /nfs/dbraw/zinc/07/41/55/396074155.db2.gz UBZZIQMZOFNAOC-UHFFFAOYSA-N 0 0 323.349 0.878 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1CCCNC1=O ZINC000069336972 396075441 /nfs/dbraw/zinc/07/54/41/396075441.db2.gz KPEBXSWUTNTSQI-LLVKDONJSA-N 0 0 301.350 0.663 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000162412099 396081335 /nfs/dbraw/zinc/08/13/35/396081335.db2.gz CIYOOPYQWTVMDT-JSGCOSHPSA-N 0 0 309.410 0.224 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000162518061 396081662 /nfs/dbraw/zinc/08/16/62/396081662.db2.gz PEYCHPARRWVPIL-UHFFFAOYSA-N 0 0 315.377 0.609 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000175351748 396140712 /nfs/dbraw/zinc/14/07/12/396140712.db2.gz VMTWSODDJHCJBG-LBPRGKRZSA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000261949491 396082421 /nfs/dbraw/zinc/08/24/21/396082421.db2.gz WDDHXYTZFXZLET-BMIGLBTASA-N 0 0 321.377 0.692 10 0 DCAERN Cc1nc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c(C)s1 ZINC000178876696 396212735 /nfs/dbraw/zinc/21/27/35/396212735.db2.gz BURLFCDCYVGDND-SNVBAGLBSA-N 0 0 317.436 0.771 10 0 DCAERN O=C([C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1)N1CCCC1 ZINC000263251069 396209513 /nfs/dbraw/zinc/20/95/13/396209513.db2.gz PXYUHNDSFBMLGP-NWDGAFQWSA-N 0 0 315.364 0.845 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)s1 ZINC000279009831 396146788 /nfs/dbraw/zinc/14/67/88/396146788.db2.gz UFXKWLQDUFBOAK-CQSZACIVSA-N 0 0 308.359 0.887 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000176068620 396148948 /nfs/dbraw/zinc/14/89/48/396148948.db2.gz PAXMWWQCBWQSSQ-PWSUYJOCSA-N 0 0 307.354 0.272 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000176136899 396150566 /nfs/dbraw/zinc/15/05/66/396150566.db2.gz CWIKTFIPYVGSEY-SNVBAGLBSA-N 0 0 307.272 0.776 10 0 DCAERN Cc1nc(CNC(=O)NCCn2c3ccccc3[nH]c2=O)no1 ZINC000176516348 396156677 /nfs/dbraw/zinc/15/66/77/396156677.db2.gz RXGMYZNXKKUVOZ-UHFFFAOYSA-N 0 0 316.321 0.520 10 0 DCAERN CN1Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3O)cc2C1 ZINC000177170400 396168391 /nfs/dbraw/zinc/16/83/91/396168391.db2.gz DYTMYIJJONOUOC-CABCVRRESA-N 0 0 317.389 0.990 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000177297118 396171431 /nfs/dbraw/zinc/17/14/31/396171431.db2.gz DXXOYHPFFCKGPZ-GJZGRUSLSA-N 0 0 321.425 0.635 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000177385167 396173169 /nfs/dbraw/zinc/17/31/69/396173169.db2.gz IBCMICQIGCQCGJ-UTUOFQBUSA-N 0 0 310.350 0.708 10 0 DCAERN CC1(C)CN(C(=O)c2ccnn2CC(F)F)CCS1(=O)=O ZINC000279476776 396177776 /nfs/dbraw/zinc/17/77/76/396177776.db2.gz NXIHHTGHBFXIEH-UHFFFAOYSA-N 0 0 321.349 0.797 10 0 DCAERN O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263040966 396198950 /nfs/dbraw/zinc/19/89/50/396198950.db2.gz SUBBTJBDMVEKTM-NWDGAFQWSA-N 0 0 315.364 0.748 10 0 DCAERN CC(=O)N(C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000076247927 396200158 /nfs/dbraw/zinc/20/01/58/396200158.db2.gz WBLKTADSIQBUNS-OLZOCXBDSA-N 0 0 300.424 0.978 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263082846 396200748 /nfs/dbraw/zinc/20/07/48/396200748.db2.gz XQXGYSCZGNSUHV-MNOVXSKESA-N 0 0 300.305 0.842 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)on1 ZINC000263104076 396201357 /nfs/dbraw/zinc/20/13/57/396201357.db2.gz ZSZBNSUQQFSLCU-GFCCVEGCSA-N 0 0 314.336 0.624 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1CC(F)(F)CN1 ZINC000263311353 396212564 /nfs/dbraw/zinc/21/25/64/396212564.db2.gz YSRVALJLSMPBJN-GHMZBOCLSA-N 0 0 311.336 0.559 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CC(F)(F)CN1)CC2 ZINC000263146716 396202628 /nfs/dbraw/zinc/20/26/28/396202628.db2.gz CVBXUCKEQOUHNX-QJPTWQEYSA-N 0 0 318.364 0.762 10 0 DCAERN C[C@H](C(=O)NCc1cn(C)nc1C(F)(F)F)n1cncn1 ZINC000178642078 396203034 /nfs/dbraw/zinc/20/30/34/396203034.db2.gz SZIOJIDUIQDJHT-SSDOTTSWSA-N 0 0 302.260 0.908 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccoc2)cn1C ZINC000181104900 396237126 /nfs/dbraw/zinc/23/71/26/396237126.db2.gz UBDHHPAIRIRPRC-UHFFFAOYSA-N 0 0 311.363 0.798 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000077990970 396237918 /nfs/dbraw/zinc/23/79/18/396237918.db2.gz DACSNKMZOBUAJT-LLVKDONJSA-N 0 0 308.256 0.051 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccccc2F)cn1 ZINC000181702942 396241665 /nfs/dbraw/zinc/24/16/65/396241665.db2.gz MXOYRFOMMIESQM-CYBMUJFWSA-N 0 0 324.381 0.894 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cnc2ccccc2c1 ZINC000181773632 396242328 /nfs/dbraw/zinc/24/23/28/396242328.db2.gz TWQOCJGLVRTIGV-UHFFFAOYSA-N 0 0 324.344 0.971 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cncc(C)c2)CC1 ZINC000182069890 396246260 /nfs/dbraw/zinc/24/62/60/396246260.db2.gz JLOMHCNYTLPCOR-OAHLLOKOSA-N 0 0 306.410 0.988 10 0 DCAERN O=C(NCCCn1ccnn1)NCCNC(=O)c1cccs1 ZINC000182282187 396248397 /nfs/dbraw/zinc/24/83/97/396248397.db2.gz QTWLFEVZDXVDGY-UHFFFAOYSA-N 0 0 322.394 0.459 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000281937668 396249666 /nfs/dbraw/zinc/24/96/66/396249666.db2.gz RKVWGSYJYWEXOU-DZGCQCFKSA-N 0 0 321.425 0.987 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)NCCCn1ccnn1 ZINC000182462919 396250450 /nfs/dbraw/zinc/25/04/50/396250450.db2.gz SHKTYEXARUZDBZ-UHFFFAOYSA-N 0 0 318.381 0.921 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)[C@H](O)Cc1ccccc1 ZINC000182474131 396250711 /nfs/dbraw/zinc/25/07/11/396250711.db2.gz WDAXDRGLZSNZBF-DZGCQCFKSA-N 0 0 317.393 0.960 10 0 DCAERN CC[C@H]1CN(C(=O)NCCCn2ccnn2)CC[N@@H+]1CCOC ZINC000182477496 396250859 /nfs/dbraw/zinc/25/08/59/396250859.db2.gz OMSFPRPJLMDJGU-AWEZNQCLSA-N 0 0 324.429 0.420 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC1CC1 ZINC000078739314 396252763 /nfs/dbraw/zinc/25/27/63/396252763.db2.gz YKTVLNBCNNBTRV-UHFFFAOYSA-N 0 0 316.404 0.436 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N[C@]3(CO)CCOC3)CC2=O)cc1 ZINC000182936622 396256705 /nfs/dbraw/zinc/25/67/05/396256705.db2.gz KDNUWJCBARNZND-DYVFJYSZSA-N 0 0 318.373 0.616 10 0 DCAERN O=C(NC1CCN(c2ccccn2)CC1)N1CCO[C@H](CO)C1 ZINC000078895029 396257387 /nfs/dbraw/zinc/25/73/87/396257387.db2.gz ZGWDKRXZXBGIPJ-AWEZNQCLSA-N 0 0 320.393 0.453 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccc(C(=O)NC2CC2)cc1 ZINC000182943241 396257508 /nfs/dbraw/zinc/25/75/08/396257508.db2.gz SUHNXRLXXUITJE-UHFFFAOYSA-N 0 0 313.361 0.990 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1nnc[nH]1 ZINC000080585848 396282398 /nfs/dbraw/zinc/28/23/98/396282398.db2.gz PDXKYMFGARILFG-UHFFFAOYSA-N 0 0 308.363 0.489 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)NCCCn3ccnn3)ccc2O1 ZINC000183168092 396263976 /nfs/dbraw/zinc/26/39/76/396263976.db2.gz ZAOJWCDXRZOGGK-LLVKDONJSA-N 0 0 322.390 0.970 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cc(F)cc(F)c1 ZINC000183163070 396264009 /nfs/dbraw/zinc/26/40/09/396264009.db2.gz BAOZUILLGHIOMH-UHFFFAOYSA-N 0 0 302.306 0.925 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000183224337 396265026 /nfs/dbraw/zinc/26/50/26/396265026.db2.gz PMAJVKUXBCJUIU-GJZGRUSLSA-N 0 0 313.442 0.452 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282123626 396265116 /nfs/dbraw/zinc/26/51/16/396265116.db2.gz GTWAJRUCBNHVLS-NSHDSACASA-N 0 0 315.377 0.957 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@@H](C)CO1 ZINC000080541483 396282740 /nfs/dbraw/zinc/28/27/40/396282740.db2.gz UTNUHVKUBKGOLO-DTWKUNHWSA-N 0 0 316.354 0.723 10 0 DCAERN NC(=O)NC(=O)CN1CCC(N2CCc3ccccc32)CC1 ZINC000282159364 396267922 /nfs/dbraw/zinc/26/79/22/396267922.db2.gz UBWRBWWDZCVSNR-UHFFFAOYSA-N 0 0 302.378 0.708 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000183646065 396272613 /nfs/dbraw/zinc/27/26/13/396272613.db2.gz DABAHUZPWIQORV-NYGKMJBOSA-N 0 0 302.318 0.462 10 0 DCAERN CC1(C)CCCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000079998662 396273555 /nfs/dbraw/zinc/27/35/55/396273555.db2.gz SOZYTTDALZWHLC-UHFFFAOYSA-N 0 0 324.402 0.960 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)CNC(=O)CC(C)(C)C)n1 ZINC000183762889 396274577 /nfs/dbraw/zinc/27/45/77/396274577.db2.gz NFLSDKIDARYYKU-LLVKDONJSA-N 0 0 324.381 0.830 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCCCO3)CC2)ncn1 ZINC000183839934 396276040 /nfs/dbraw/zinc/27/60/40/396276040.db2.gz SYJGYDVIPWIPDH-GFCCVEGCSA-N 0 0 306.366 0.703 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)CN1CCCC1=O ZINC000080421912 396279986 /nfs/dbraw/zinc/27/99/86/396279986.db2.gz YXXUMLPWLBQHKE-CYBMUJFWSA-N 0 0 317.389 0.852 10 0 DCAERN COC[C@H]1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)CCO1 ZINC000178956512 396216088 /nfs/dbraw/zinc/21/60/88/396216088.db2.gz ZFRDTJGSWWASNS-CYBMUJFWSA-N 0 0 320.349 0.715 10 0 DCAERN O=C(NCCCN1CCOC1=O)c1ccc(-n2ccnc2)nc1 ZINC000077332032 396219404 /nfs/dbraw/zinc/21/94/04/396219404.db2.gz UFTOGGDNNLWVGO-UHFFFAOYSA-N 0 0 315.333 0.839 10 0 DCAERN C/C=C/C[S@@](=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000077479213 396223777 /nfs/dbraw/zinc/22/37/77/396223777.db2.gz NCQGFVUIBZEPAW-ZDUIWUOISA-N 0 0 324.406 0.149 10 0 DCAERN O=C(CCC(=O)N1CCCC[C@@H]1c1nc[nH]n1)N1CCOCC1 ZINC000179345902 396226012 /nfs/dbraw/zinc/22/60/12/396226012.db2.gz QISNDDLPGJDEDH-GFCCVEGCSA-N 0 0 321.381 0.497 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN([C@H](CC)CO)CC2)C1 ZINC000179407255 396226460 /nfs/dbraw/zinc/22/64/60/396226460.db2.gz IUJLCIMSXVGGGE-ZIAGYGMSSA-N 0 0 311.426 0.160 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000077614241 396227327 /nfs/dbraw/zinc/22/73/27/396227327.db2.gz JLXYOAVLDAYRQW-AWEZNQCLSA-N 0 0 323.418 0.500 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000179686102 396229455 /nfs/dbraw/zinc/22/94/55/396229455.db2.gz PGAILXXQJBATNO-JTQLQIEISA-N 0 0 302.327 0.009 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179826094 396230064 /nfs/dbraw/zinc/23/00/64/396230064.db2.gz SSNFUWWYUXGRGT-UHFFFAOYSA-N 0 0 323.259 0.991 10 0 DCAERN Cn1nnc2ccc(C(=O)Nc3ccn(CCC(N)=O)n3)cc21 ZINC000184024411 396280973 /nfs/dbraw/zinc/28/09/73/396280973.db2.gz CEGZHACQYPDULA-UHFFFAOYSA-N 0 0 313.321 0.293 10 0 DCAERN COCCCOCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000180450179 396232918 /nfs/dbraw/zinc/23/29/18/396232918.db2.gz STLGLQOCLWKLBH-UHFFFAOYSA-N 0 0 308.382 0.933 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000080726920 396285064 /nfs/dbraw/zinc/28/50/64/396285064.db2.gz YNOIJIFTVRNJRQ-UWVGGRQHSA-N 0 0 300.384 0.178 10 0 DCAERN Cn1ncnc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184134448 396286438 /nfs/dbraw/zinc/28/64/38/396286438.db2.gz PBPUEKWBSKEPCL-UHFFFAOYSA-N 0 0 301.354 0.954 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)CC(=O)N1C ZINC000282409420 396288826 /nfs/dbraw/zinc/28/88/26/396288826.db2.gz PNWHGHORLIIRMA-SECBINFHSA-N 0 0 303.318 0.434 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)Nc1nc2ccccn2n1 ZINC000184405072 396294148 /nfs/dbraw/zinc/29/41/48/396294148.db2.gz ONFZBRHACJKEST-CQSZACIVSA-N 0 0 305.338 0.640 10 0 DCAERN C[C@@H](O)[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000184794640 396305950 /nfs/dbraw/zinc/30/59/50/396305950.db2.gz HOCRUMJAAVQHIH-OCCSQVGLSA-N 0 0 305.378 0.829 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)no1 ZINC000265497069 396322206 /nfs/dbraw/zinc/32/22/06/396322206.db2.gz YBCRYFRGRLYROJ-UWVGGRQHSA-N 0 0 322.408 0.320 10 0 DCAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)CNC(N)=O)CC2)n1 ZINC000185240565 396322336 /nfs/dbraw/zinc/32/23/36/396322336.db2.gz JQDYFRLFSWCQKC-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN CCC1(CC)CN(CCCN2C(=O)CNC2=O)CC[S@]1=O ZINC000185238985 396322495 /nfs/dbraw/zinc/32/24/95/396322495.db2.gz VWJJVMHFLNVMFZ-OAQYLSRUSA-N 0 0 315.439 0.551 10 0 DCAERN CN(C)c1noc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1 ZINC000185256488 396323029 /nfs/dbraw/zinc/32/30/29/396323029.db2.gz JJSVADZZMRNOLW-GFCCVEGCSA-N 0 0 323.397 0.349 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(Cc1nc(N(C)C)no1)CC2 ZINC000185266212 396323819 /nfs/dbraw/zinc/32/38/19/396323819.db2.gz KPZJZORQGKZVME-NWDGAFQWSA-N 0 0 310.398 0.888 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000185550137 396330054 /nfs/dbraw/zinc/33/00/54/396330054.db2.gz LVGZXPPIWBXDER-INIZCTEOSA-N 0 0 304.346 0.951 10 0 DCAERN CCNC(=O)NC(=O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185482741 396328594 /nfs/dbraw/zinc/32/85/94/396328594.db2.gz HXBKGWLGIHUNBT-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)cc21 ZINC000185494087 396328699 /nfs/dbraw/zinc/32/86/99/396328699.db2.gz PBNNTEWBGRPMGU-WCQYABFASA-N 0 0 313.361 0.852 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CCN1CCCC[C@@]1(C)C(N)=O ZINC000185941381 396337756 /nfs/dbraw/zinc/33/77/56/396337756.db2.gz SBTBISKBXVTMCK-HOTGVXAUSA-N 0 0 310.442 0.446 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000185729647 396334184 /nfs/dbraw/zinc/33/41/84/396334184.db2.gz OYWUUGJWJAJONO-CYBMUJFWSA-N 0 0 320.455 0.860 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc12 ZINC000265655509 396334399 /nfs/dbraw/zinc/33/43/99/396334399.db2.gz NFFVWVNPGXSFBM-LLVKDONJSA-N 0 0 301.350 0.627 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCS1(=O)=O ZINC000265664515 396334857 /nfs/dbraw/zinc/33/48/57/396334857.db2.gz FOYOXPKOHBKIFL-VIFPVBQESA-N 0 0 324.358 0.277 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000265678534 396336135 /nfs/dbraw/zinc/33/61/35/396336135.db2.gz JAFWTLOSURHULZ-LLVKDONJSA-N 0 0 309.387 0.810 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000186094544 396341229 /nfs/dbraw/zinc/34/12/29/396341229.db2.gz AXVZTTLUNHUKFL-SNVBAGLBSA-N 0 0 310.297 0.957 10 0 DCAERN CNC(=O)c1ccc(N2CCC3(C[C@@H]3C(=O)OC)CC2)nn1 ZINC000266794695 396353250 /nfs/dbraw/zinc/35/32/50/396353250.db2.gz AAOARPDCTOSBEG-SNVBAGLBSA-N 0 0 304.350 0.616 10 0 DCAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CCC1=O ZINC000186582462 396353284 /nfs/dbraw/zinc/35/32/84/396353284.db2.gz NVAKXISMJVVGKO-LBPRGKRZSA-N 0 0 324.402 0.793 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000186677320 396355278 /nfs/dbraw/zinc/35/52/78/396355278.db2.gz SKAVXOHPSWZNQG-PWSUYJOCSA-N 0 0 306.366 0.776 10 0 DCAERN CCN1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 ZINC000186677229 396355313 /nfs/dbraw/zinc/35/53/13/396355313.db2.gz MZFDRWSLZYSMNQ-GFCCVEGCSA-N 0 0 319.409 0.957 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCN(CC(C)C)C(=O)C2)c1 ZINC000186772466 396357769 /nfs/dbraw/zinc/35/77/69/396357769.db2.gz IQGUKPWBRZIIIZ-UHFFFAOYSA-N 0 0 307.398 0.701 10 0 DCAERN CC(C)CN1CCN(C(=O)CNC(=O)c2ccccn2)CC1=O ZINC000186845231 396358938 /nfs/dbraw/zinc/35/89/38/396358938.db2.gz QGPQVKGLUNFVEL-UHFFFAOYSA-N 0 0 318.377 0.138 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000187019636 396361590 /nfs/dbraw/zinc/36/15/90/396361590.db2.gz BGUVMROFKUZDBJ-VHSXEESVSA-N 0 0 313.320 0.272 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)C(=O)c2cnn(C)c2)C12CCOCC2 ZINC000187067679 396362540 /nfs/dbraw/zinc/36/25/40/396362540.db2.gz JSWXKUFMZCWBPI-CHWSQXEVSA-N 0 0 321.377 0.693 10 0 DCAERN C[C@H]1CN(C(=O)CCCCN2CCOCC2)CCN1CCO ZINC000187270347 396366847 /nfs/dbraw/zinc/36/68/47/396366847.db2.gz FTSNBLWQXQLDOX-HNNXBMFYSA-N 0 0 313.442 0.014 10 0 DCAERN O=C(NC1CN(C(=O)NCc2ccn3ccnc3c2)C1)C1CC1 ZINC000187595691 396371728 /nfs/dbraw/zinc/37/17/28/396371728.db2.gz QQUIYOWNQAITSH-UHFFFAOYSA-N 0 0 313.361 0.754 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1)C1CC1 ZINC000187701537 396372763 /nfs/dbraw/zinc/37/27/63/396372763.db2.gz JWBIZQFXUZDHTJ-MJBXVCDLSA-N 0 0 319.405 0.864 10 0 DCAERN CO[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC000187684846 396373042 /nfs/dbraw/zinc/37/30/42/396373042.db2.gz QQQORLFNSUDTNN-WCQYABFASA-N 0 0 318.439 0.878 10 0 DCAERN CN1CCCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1=O ZINC000187868689 396375396 /nfs/dbraw/zinc/37/53/96/396375396.db2.gz FNVNWEJMXWGCJX-UHFFFAOYSA-N 0 0 318.421 0.992 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C(C)(C)C)n1 ZINC000286106689 396375403 /nfs/dbraw/zinc/37/54/03/396375403.db2.gz FBWARWFARVPSFX-NEPJUHHUSA-N 0 0 319.409 0.956 10 0 DCAERN CO[C@@H]1CN(C(=O)CNC(=O)NCc2ccco2)CC[C@H]1C ZINC000187773073 396374199 /nfs/dbraw/zinc/37/41/99/396374199.db2.gz FITUZKROQVKVQK-DGCLKSJQSA-N 0 0 309.366 0.962 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188275372 396381257 /nfs/dbraw/zinc/38/12/57/396381257.db2.gz HUZRAKOFRINEHP-RWMBFGLXSA-N 0 0 320.393 0.847 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000188356845 396381928 /nfs/dbraw/zinc/38/19/28/396381928.db2.gz BRRGSYXBOMHFKA-KBPBESRZSA-N 0 0 301.431 0.756 10 0 DCAERN C[C@H]1COCCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000269076662 396384191 /nfs/dbraw/zinc/38/41/91/396384191.db2.gz HIHVFRGVKFQQJO-MGPLVRAMSA-N 0 0 317.345 0.602 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)Cc1ccccc1F ZINC000188725614 396385135 /nfs/dbraw/zinc/38/51/35/396385135.db2.gz XCOHYNYRCFYBAI-WDBKCZKBSA-N 0 0 308.353 0.855 10 0 DCAERN O=C(CNC(=O)N1CC(NC(=O)C2CCC2)C1)N1CCCCC1 ZINC000188798979 396386585 /nfs/dbraw/zinc/38/65/85/396386585.db2.gz HPPYTBINCDGWOJ-UHFFFAOYSA-N 0 0 322.409 0.309 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCN1CCO ZINC000188808125 396387443 /nfs/dbraw/zinc/38/74/43/396387443.db2.gz OZDVJXVOZMYFPS-NSHDSACASA-N 0 0 314.332 0.869 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188937370 396388536 /nfs/dbraw/zinc/38/85/36/396388536.db2.gz HSHVPPPWRBXNOT-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)NCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188892102 396388666 /nfs/dbraw/zinc/38/86/66/396388666.db2.gz BOMCGSBEQGYFSS-UHFFFAOYSA-N 0 0 309.797 0.950 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)[C@@H](C)COC)CCO2)cn1 ZINC000189221323 396391819 /nfs/dbraw/zinc/39/18/19/396391819.db2.gz ISBVYCZWRLUOAK-WCQYABFASA-N 0 0 317.411 0.641 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189186773 396392235 /nfs/dbraw/zinc/39/22/35/396392235.db2.gz UXULRVVIMDOYOY-WDEREUQCSA-N 0 0 318.399 0.726 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NCCOc1ccccc1 ZINC000189281373 396392969 /nfs/dbraw/zinc/39/29/69/396392969.db2.gz MDVABJJILOCHFZ-CYBMUJFWSA-N 0 0 305.378 0.392 10 0 DCAERN COCCN1CCCN(C(=O)Cc2cccc(O)c2)CC1=O ZINC000189306516 396393273 /nfs/dbraw/zinc/39/32/73/396393273.db2.gz HHUSCSLZCLKJNE-UHFFFAOYSA-N 0 0 306.362 0.642 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccccc2O)CC1=O ZINC000189308126 396393434 /nfs/dbraw/zinc/39/34/34/396393434.db2.gz XWQWNEVOUZOTCF-UHFFFAOYSA-N 0 0 306.362 0.642 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189491416 396395570 /nfs/dbraw/zinc/39/55/70/396395570.db2.gz OZNOHWQQDZPKEB-CQSZACIVSA-N 0 0 304.346 0.466 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189508602 396396651 /nfs/dbraw/zinc/39/66/51/396396651.db2.gz OIBKUEWNITWUQW-CYBMUJFWSA-N 0 0 324.425 0.601 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189807655 396399734 /nfs/dbraw/zinc/39/97/34/396399734.db2.gz GTCMBTZSWLPGFY-ZDUSSCGKSA-N 0 0 309.410 0.716 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CO[C@H]2CCCc3c[nH]nc32)C1 ZINC000190163654 396402926 /nfs/dbraw/zinc/40/29/26/396402926.db2.gz ARTUEMXVCRKECJ-NEPJUHHUSA-N 0 0 306.366 0.528 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190360954 396405946 /nfs/dbraw/zinc/40/59/46/396405946.db2.gz RDSGUXAOPIQGLX-SNVBAGLBSA-N 0 0 310.398 0.211 10 0 DCAERN Cc1ccc(-n2nnnc2NC[C@@H](O)CN2CCOCC2)cc1 ZINC000269314131 396406802 /nfs/dbraw/zinc/40/68/02/396406802.db2.gz FATFRCLPACDWQE-CQSZACIVSA-N 0 0 318.381 0.076 10 0 DCAERN CCN1CN(C(=O)CCCNC(=O)c2ccsc2)CC1=O ZINC000190532706 396407643 /nfs/dbraw/zinc/40/76/43/396407643.db2.gz BAYKGMCIGMTQRF-UHFFFAOYSA-N 0 0 309.391 0.906 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000190670432 396409491 /nfs/dbraw/zinc/40/94/91/396409491.db2.gz ICTOBHSUYHGTBB-SNVBAGLBSA-N 0 0 314.345 0.843 10 0 DCAERN CCc1nc(C2CCN([C@@H](C)C(=O)NCC(=O)OC)CC2)n[nH]1 ZINC000190708660 396410336 /nfs/dbraw/zinc/41/03/36/396410336.db2.gz DFTJYAIUBCWWAT-JTQLQIEISA-N 0 0 323.397 0.224 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000190682766 396410349 /nfs/dbraw/zinc/41/03/49/396410349.db2.gz QNWLVNKAOJIIAC-RYUDHWBXSA-N 0 0 312.414 0.016 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190700268 396410402 /nfs/dbraw/zinc/41/04/02/396410402.db2.gz LJYGKQCVTQGTBV-UHFFFAOYSA-N 0 0 308.386 0.392 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746288 396410850 /nfs/dbraw/zinc/41/08/50/396410850.db2.gz LLIUZLWVDRYIOR-JSGCOSHPSA-N 0 0 304.350 0.021 10 0 DCAERN CCn1cc([C@@H]2CN(CCCS(C)(=O)=O)CCO2)cn1 ZINC000190733879 396410885 /nfs/dbraw/zinc/41/08/85/396410885.db2.gz OWQJVQXNXGGBNB-ZDUSSCGKSA-N 0 0 301.412 0.711 10 0 DCAERN COCCN1CCCN([C@@H](C)C(=O)NC2CCCC2)CC1=O ZINC000190803918 396412082 /nfs/dbraw/zinc/41/20/82/396412082.db2.gz LATKMEUCZCYHAI-ZDUSSCGKSA-N 0 0 311.426 0.614 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)C[C@@H](C)O1 ZINC000190894874 396412462 /nfs/dbraw/zinc/41/24/62/396412462.db2.gz CSUFACYNBIPENC-WXHSDQCUSA-N 0 0 323.397 0.867 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@H](C)N1CCCN(C)C(=O)C1 ZINC000191092215 396415204 /nfs/dbraw/zinc/41/52/04/396415204.db2.gz WFYLNCJPVSHZTA-LBPRGKRZSA-N 0 0 307.398 0.955 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)CC1=O ZINC000191515972 396420499 /nfs/dbraw/zinc/42/04/99/396420499.db2.gz WVINTKJSPVCZET-UHFFFAOYSA-N 0 0 321.381 0.516 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191546009 396421066 /nfs/dbraw/zinc/42/10/66/396421066.db2.gz LZNJJKQVQLIGRB-SNVBAGLBSA-N 0 0 323.397 0.411 10 0 DCAERN CCOC1CC(CCNC(=O)Nc2cnn(CC(=O)NC)c2)C1 ZINC000191691206 396422891 /nfs/dbraw/zinc/42/28/91/396422891.db2.gz VOIALBNBYSCIQL-UHFFFAOYSA-N 0 0 323.397 0.956 10 0 DCAERN COCCN1CCCN(Cc2cc(C(N)=O)cs2)CC1=O ZINC000191705082 396423484 /nfs/dbraw/zinc/42/34/84/396423484.db2.gz WXNKGQMZEBWYOP-UHFFFAOYSA-N 0 0 311.407 0.528 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C ZINC000191930650 396427124 /nfs/dbraw/zinc/42/71/24/396427124.db2.gz OZRZLDJNRJTSLJ-UHFFFAOYSA-N 0 0 316.361 0.960 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3ncccn3)CC2)n1 ZINC000192006284 396427989 /nfs/dbraw/zinc/42/79/89/396427989.db2.gz UJQTUOQJZJXXNV-UHFFFAOYSA-N 0 0 300.366 0.988 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000269617293 396429882 /nfs/dbraw/zinc/42/98/82/396429882.db2.gz SVBRXYZFSADVMU-LBPRGKRZSA-N 0 0 313.313 0.035 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@H](C)S(=O)(=O)CC2)C1 ZINC000192344663 396430825 /nfs/dbraw/zinc/43/08/25/396430825.db2.gz ZGGXYYUDASVMNU-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN CCOC1CC(CNC(=O)N[C@@H]2C[C@@H]2C)(N2CCOCC2)C1 ZINC000192476123 396431313 /nfs/dbraw/zinc/43/13/13/396431313.db2.gz UPMUAODAOGDJGZ-PGOFDVKTSA-N 0 0 311.426 0.964 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000192474095 396431449 /nfs/dbraw/zinc/43/14/49/396431449.db2.gz KEKYQWXOYUYALM-STQMWFEESA-N 0 0 324.450 0.949 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC(n3cncn3)CC2)C1 ZINC000192450902 396431786 /nfs/dbraw/zinc/43/17/86/396431786.db2.gz SCAAHNKMQWFKKM-NWDGAFQWSA-N 0 0 321.381 0.966 10 0 DCAERN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CCCc3n[nH]cc32)C1=O ZINC000193170717 396445981 /nfs/dbraw/zinc/44/59/81/396445981.db2.gz AJQLFXVNVBTONT-RTHLEPHNSA-N 0 0 305.338 0.581 10 0 DCAERN CS(=O)(=O)N1CCCN(c2cc(=O)n3ccccc3n2)CC1 ZINC000192804559 396437808 /nfs/dbraw/zinc/43/78/08/396437808.db2.gz LLHKUUSVZDUZDO-UHFFFAOYSA-N 0 0 322.390 0.166 10 0 DCAERN CC[C@@H](CO)NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000188239035 396380557 /nfs/dbraw/zinc/38/05/57/396380557.db2.gz GGYMSOPRJDACIO-LBPRGKRZSA-N 0 0 308.382 0.589 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H]1CCNC1=O ZINC000594790452 396516065 /nfs/dbraw/zinc/51/60/65/396516065.db2.gz JKKDHJSTARYPJE-ZETCQYMHSA-N 0 0 318.376 0.010 10 0 DCAERN O=C(N[C@H]1CCCOCC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000515322598 396502536 /nfs/dbraw/zinc/50/25/36/396502536.db2.gz UMAYHVJTPXYDOD-UONOGXRCSA-N 0 0 309.410 0.368 10 0 DCAERN Cn1c(=O)ccc2ccc(NCC(=O)NC(=O)NC3CC3)cc21 ZINC000515766241 396508948 /nfs/dbraw/zinc/50/89/48/396508948.db2.gz JRSDBTZZFUSNRO-UHFFFAOYSA-N 0 0 314.345 0.939 10 0 DCAERN CN1CC[C@H](N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000372344685 396509542 /nfs/dbraw/zinc/50/95/42/396509542.db2.gz GRWSBUXZVZGURX-LBPRGKRZSA-N 0 0 303.410 0.814 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000372357813 396510213 /nfs/dbraw/zinc/51/02/13/396510213.db2.gz PVHWFOLYWBZSAO-MNOVXSKESA-N 0 0 309.366 0.535 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N(C)Cc1ccc(C)o1 ZINC000193273307 396447493 /nfs/dbraw/zinc/44/74/93/396447493.db2.gz YCXYMEDZXHDXNA-UHFFFAOYSA-N 0 0 320.411 0.859 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(c2cccnn2)CC1 ZINC000289304716 396458738 /nfs/dbraw/zinc/45/87/38/396458738.db2.gz IXUPGYNTKJYBBU-UHFFFAOYSA-N 0 0 311.411 0.376 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000371466917 396467634 /nfs/dbraw/zinc/46/76/34/396467634.db2.gz UBBZFOXQYWLXDS-CYBMUJFWSA-N 0 0 300.318 0.199 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CC(n3ccnn3)C2)c1C ZINC000371615081 396472253 /nfs/dbraw/zinc/47/22/53/396472253.db2.gz FTAXPUITATWRDZ-UHFFFAOYSA-N 0 0 307.379 0.592 10 0 DCAERN c1ccc(-n2nnnc2CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000371834737 396478209 /nfs/dbraw/zinc/47/82/09/396478209.db2.gz MQPAGXZDHNCJDJ-AWEZNQCLSA-N 0 0 300.366 0.179 10 0 DCAERN COc1ccccc1CCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371900410 396479935 /nfs/dbraw/zinc/47/99/35/396479935.db2.gz YFVFWTOQTSHZQC-OAHLLOKOSA-N 0 0 319.405 0.964 10 0 DCAERN O=C(NCc1nccn1C(F)F)N1CCN2CCOC[C@@H]2C1 ZINC000371986558 396481598 /nfs/dbraw/zinc/48/15/98/396481598.db2.gz RSJVFSKBNRFYLV-JTQLQIEISA-N 0 0 315.324 0.504 10 0 DCAERN CCOc1cc(Cl)ccc1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000372695839 396538507 /nfs/dbraw/zinc/53/85/07/396538507.db2.gz NXEZFVYGCZDYRO-CQSZACIVSA-N 0 0 312.753 0.801 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 ZINC000528485721 396556528 /nfs/dbraw/zinc/55/65/28/396556528.db2.gz UOJZNVTYJBQARY-ZIAGYGMSSA-N 0 0 313.375 0.707 10 0 DCAERN CC(=O)C1(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000292604781 396558458 /nfs/dbraw/zinc/55/84/58/396558458.db2.gz IFKKIVFZBWKUIS-VIFPVBQESA-N 0 0 310.375 0.880 10 0 DCAERN CC[C@H]1CCN1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000292694140 396564088 /nfs/dbraw/zinc/56/40/88/396564088.db2.gz QHNKYPFSRJUZME-OLZOCXBDSA-N 0 0 319.409 0.943 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)N1CCOCC[C@H]1C ZINC000373143648 396569469 /nfs/dbraw/zinc/56/94/69/396569469.db2.gz XPBXFRYXADWTFP-LLVKDONJSA-N 0 0 307.416 0.136 10 0 DCAERN CN1CC[C@@H](NC(=O)NCC[C@@H]2COc3ccccc3O2)C1=O ZINC000581859005 396587042 /nfs/dbraw/zinc/58/70/42/396587042.db2.gz VBLDUVFQVXXIQH-VXGBXAGGSA-N 0 0 319.361 0.746 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000374213842 396648428 /nfs/dbraw/zinc/64/84/28/396648428.db2.gz XROWWMVMOOCCNF-PSASIEDQSA-N 0 0 305.356 0.116 10 0 DCAERN CCOC(=O)C1=NN=C2C=C(Br)C=CN2[C@H]1O ZINC000585656188 396648604 /nfs/dbraw/zinc/64/86/04/396648604.db2.gz SIXRCQZNPPZXNR-VIFPVBQESA-N 0 0 300.112 0.744 10 0 DCAERN O=C(COC1CCCC1)NCCCN1CCCS1(=O)=O ZINC000585734291 396651046 /nfs/dbraw/zinc/65/10/46/396651046.db2.gz WTUPCYFURDQVQU-UHFFFAOYSA-N 0 0 304.412 0.487 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000585735804 396651105 /nfs/dbraw/zinc/65/11/05/396651105.db2.gz JHKVKYDPHNUPDS-UHFFFAOYSA-N 0 0 313.379 0.373 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cc(C2CC2)on1 ZINC000585734772 396651549 /nfs/dbraw/zinc/65/15/49/396651549.db2.gz BWJDQEVPAFZCJZ-UHFFFAOYSA-N 0 0 313.379 0.707 10 0 DCAERN COc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)cc(OC)c1O ZINC000373398993 396588752 /nfs/dbraw/zinc/58/87/52/396588752.db2.gz NKCOARLNNYHRHM-LBPRGKRZSA-N 0 0 322.361 0.566 10 0 DCAERN CC[C@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000294179185 396658958 /nfs/dbraw/zinc/65/89/58/396658958.db2.gz RWWRTGJJAODSBK-LLVKDONJSA-N 0 0 300.380 0.438 10 0 DCAERN C[C@H](CN1C[C@@H](C)O[C@@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802667 396615309 /nfs/dbraw/zinc/61/53/09/396615309.db2.gz AKANGCALVYWLGG-MCIONIFRSA-N 0 0 305.440 0.937 10 0 DCAERN O=C(N[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCC12CCC2 ZINC000560732542 396624031 /nfs/dbraw/zinc/62/40/31/396624031.db2.gz IBWBXYYCGHSISD-JTQLQIEISA-N 0 0 319.327 0.894 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCn3nccc32)c1 ZINC000560809350 396625498 /nfs/dbraw/zinc/62/54/98/396625498.db2.gz JOKMSXCTWNQOQP-UHFFFAOYSA-N 0 0 306.347 0.452 10 0 DCAERN CC1(C)C(=O)Nc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000293729916 396628997 /nfs/dbraw/zinc/62/89/97/396628997.db2.gz OYOGTAOKWLDKES-LLVKDONJSA-N 0 0 304.346 0.750 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000373987050 396629301 /nfs/dbraw/zinc/62/93/01/396629301.db2.gz WRFJSSGWAWYDLH-AWEZNQCLSA-N 0 0 309.410 0.810 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000374367715 396658120 /nfs/dbraw/zinc/65/81/20/396658120.db2.gz RWOUXVPMVHXUEM-NEPJUHHUSA-N 0 0 308.407 0.657 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC[C@@H]1CCCCO1 ZINC000586584542 396661448 /nfs/dbraw/zinc/66/14/48/396661448.db2.gz IRACOVACMFVQRK-LBPRGKRZSA-N 0 0 319.427 0.280 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccccc1 ZINC000585821080 396661519 /nfs/dbraw/zinc/66/15/19/396661519.db2.gz WWESNKBZFRBWHU-UHFFFAOYSA-N 0 0 311.407 0.911 10 0 DCAERN Cc1ccc(O)c(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000586762974 396663878 /nfs/dbraw/zinc/66/38/78/396663878.db2.gz CSTOAOGURHQSOI-UHFFFAOYSA-N 0 0 312.391 0.856 10 0 DCAERN Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)n1 ZINC000562627985 396672197 /nfs/dbraw/zinc/67/21/97/396672197.db2.gz DZCNXQUPXJJMJT-AOOOYVTPSA-N 0 0 312.801 0.966 10 0 DCAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CC(n2ccnn2)C1 ZINC000374807032 396689080 /nfs/dbraw/zinc/68/90/80/396689080.db2.gz OIWZSVFFMHHTJH-SNVBAGLBSA-N 0 0 317.315 0.936 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000588921387 396699560 /nfs/dbraw/zinc/69/95/60/396699560.db2.gz FRNYSQXVAHIZAW-UHFFFAOYSA-N 0 0 301.755 0.840 10 0 DCAERN O=C(c1cn(-c2ccccc2)nn1)N1CCN2CCOC[C@H]2C1 ZINC000374966229 396701330 /nfs/dbraw/zinc/70/13/30/396701330.db2.gz WDUNNMGXYNRJIY-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN CCOc1cncc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739367 396713194 /nfs/dbraw/zinc/71/31/94/396713194.db2.gz NQXWEXLPOGKIAA-JTQLQIEISA-N 0 0 317.353 0.407 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@](C)(O)C1 ZINC000300160976 396715175 /nfs/dbraw/zinc/71/51/75/396715175.db2.gz FBEOTXCJXLPLGL-WZRBSPASSA-N 0 0 305.396 0.505 10 0 DCAERN O=C(Cn1cnnn1)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000589455114 396715366 /nfs/dbraw/zinc/71/53/66/396715366.db2.gz CCESWXUEIOAHEE-LLVKDONJSA-N 0 0 318.362 0.213 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375237224 396720113 /nfs/dbraw/zinc/72/01/13/396720113.db2.gz MUUVDPRXQFGHHR-LBPRGKRZSA-N 0 0 321.352 0.616 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC3(CCO3)CC2)C1 ZINC000375596016 396777738 /nfs/dbraw/zinc/77/77/38/396777738.db2.gz GRKXUOJTMZYTSB-GFCCVEGCSA-N 0 0 310.398 0.755 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000629570399 396791366 /nfs/dbraw/zinc/79/13/66/396791366.db2.gz JJSIVHQNGXZIQM-JVOXIWMLSA-N 0 0 302.396 0.285 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000375686275 396796777 /nfs/dbraw/zinc/79/67/77/396796777.db2.gz BAAPEQZGNMBHTB-ZIAGYGMSSA-N 0 0 305.382 0.843 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000625067686 396763443 /nfs/dbraw/zinc/76/34/43/396763443.db2.gz UGAXQDWVBYTMOF-ZYHUDNBSSA-N 0 0 304.412 0.436 10 0 DCAERN CCOC(=O)C[C@@H](O)CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000312659506 396766391 /nfs/dbraw/zinc/76/63/91/396766391.db2.gz GROZUDVBKKPKPL-NWDGAFQWSA-N 0 0 307.412 0.057 10 0 DCAERN O=C(NCC[C@@H](O)C(F)F)c1cnc2n(c1=O)CCS2 ZINC000633994271 396766561 /nfs/dbraw/zinc/76/65/61/396766561.db2.gz MYWSZCUEXFVVEP-SSDOTTSWSA-N 0 0 305.306 0.095 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@H]2COC(C)(C)C2)C(C)(C)C1 ZINC000625112395 396773962 /nfs/dbraw/zinc/77/39/62/396773962.db2.gz WXIJEAWYQAVHTQ-GFCCVEGCSA-N 0 0 318.439 0.826 10 0 DCAERN CCOC(=O)c1csc(N[C@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000596432968 396774564 /nfs/dbraw/zinc/77/45/64/396774564.db2.gz MJTCQFRQQBDSRL-DTWKUNHWSA-N 0 0 320.392 0.544 10 0 DCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)Cn1cncn1 ZINC000611453154 396867914 /nfs/dbraw/zinc/86/79/14/396867914.db2.gz GKWDJJUSZBKJLX-LLVKDONJSA-N 0 0 312.370 0.531 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)n2cncn2)C[C@@H]1c1nccn1C ZINC000328626776 396825211 /nfs/dbraw/zinc/82/52/11/396825211.db2.gz MCETYMWCIQMUCS-QWHCGFSZSA-N 0 0 317.397 0.478 10 0 DCAERN CN1CCO[C@@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654686 396830808 /nfs/dbraw/zinc/83/08/08/396830808.db2.gz XQUGXITXBKVOLC-CQSZACIVSA-N 0 0 320.393 0.709 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000375864456 396835694 /nfs/dbraw/zinc/83/56/94/396835694.db2.gz BDYKCVKXJZDYMT-HWWQOWPSSA-N 0 0 311.378 0.982 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC1CN(c2ccncn2)C1)C1CCCC1 ZINC000634450879 396852902 /nfs/dbraw/zinc/85/29/02/396852902.db2.gz MLCLVRDGIJGSCH-OAHLLOKOSA-N 0 0 317.393 0.476 10 0 DCAERN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCO[C@H]2CCC[C@H]21 ZINC000330310711 396856164 /nfs/dbraw/zinc/85/61/64/396856164.db2.gz VEDPQBHKQSIYIJ-FQUUOJAGSA-N 0 0 320.389 0.942 10 0 DCAERN COC(=O)[C@H](O)C1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000610995380 396799995 /nfs/dbraw/zinc/79/99/95/396799995.db2.gz BIJTWTNTKGYKKX-CQSZACIVSA-N 0 0 308.382 0.667 10 0 DCAERN CC(=O)NC1(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CCCCC1 ZINC000332761662 396891268 /nfs/dbraw/zinc/89/12/68/396891268.db2.gz TYGJISJPXZIBOK-LSDHHAIUSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000600582991 396893817 /nfs/dbraw/zinc/89/38/17/396893817.db2.gz FWZJFZIUDQEDLK-CYBMUJFWSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H]1CC1(C)C ZINC000625524476 396913808 /nfs/dbraw/zinc/91/38/08/396913808.db2.gz GQHUEXSDWYDODN-LLVKDONJSA-N 0 0 311.426 0.958 10 0 DCAERN O=C([C@H]1COCCN1CC(F)F)N1CCC[C@@](F)(CO)C1 ZINC000376420736 396925956 /nfs/dbraw/zinc/92/59/56/396925956.db2.gz LINLTVAMFIXWRZ-MFKMUULPSA-N 0 0 310.316 0.275 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN2CCOCC3(CC3)C2)CC1 ZINC000611813220 396933323 /nfs/dbraw/zinc/93/33/23/396933323.db2.gz NZAVHXUYKGJEQC-UHFFFAOYSA-N 0 0 324.421 0.901 10 0 DCAERN CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000571362440 396943372 /nfs/dbraw/zinc/94/33/72/396943372.db2.gz QVFFNFHLKRPURD-CXAGYDPISA-N 0 0 323.437 0.613 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cc(C)n[nH]1 ZINC000625605635 396946394 /nfs/dbraw/zinc/94/63/94/396946394.db2.gz KOWBNSXDBMYEEB-UHFFFAOYSA-N 0 0 323.397 0.144 10 0 DCAERN Cc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C(N)=O)C2)cc1C ZINC000625739808 396994110 /nfs/dbraw/zinc/99/41/10/396994110.db2.gz SHUBYNXPEAVHMB-JSGCOSHPSA-N 0 0 305.378 0.817 10 0 DCAERN CCC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCOCC1 ZINC000618676415 397010435 /nfs/dbraw/zinc/01/04/35/397010435.db2.gz SEFDXKSJBOVHRF-GFCCVEGCSA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@H](C)[C@@H](OC)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676360 397010556 /nfs/dbraw/zinc/01/05/56/397010556.db2.gz ONOAAHSVBHCALU-QJPTWQEYSA-N 0 0 306.428 0.540 10 0 DCAERN COc1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618681607 397012494 /nfs/dbraw/zinc/01/24/94/397012494.db2.gz JIUTXVIJUKDSQK-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN O=C(c1n[nH]nc1-c1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000377092326 397029290 /nfs/dbraw/zinc/02/92/90/397029290.db2.gz OYZVDRMYCFSJGL-ZDUSSCGKSA-N 0 0 313.361 0.628 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](CC(N)=O)C1)[C@H](C)N1CCOCC1 ZINC000376755124 396974592 /nfs/dbraw/zinc/97/45/92/396974592.db2.gz LHVVNCHLJUUGIN-AVGNSLFASA-N 0 0 312.414 0.003 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CC[C@]4(CNC(=O)C4)C3)(CC1)C2 ZINC000619143917 397090538 /nfs/dbraw/zinc/09/05/38/397090538.db2.gz KHZASFKTPJYPBE-GTPINHCMSA-N 0 0 320.389 0.849 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000572795785 397096108 /nfs/dbraw/zinc/09/61/08/397096108.db2.gz LZWMZCZNTXGDJV-CYBMUJFWSA-N 0 0 324.425 0.603 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C(N)=O)O1 ZINC000626181619 397105619 /nfs/dbraw/zinc/10/56/19/397105619.db2.gz RDUWMFKEYVUARV-QPUJVOFHSA-N 0 0 307.306 0.522 10 0 DCAERN CCCCOC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000625989115 397048115 /nfs/dbraw/zinc/04/81/15/397048115.db2.gz MYDMFCOZWIXTLH-MCIONIFRSA-N 0 0 305.440 0.816 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@H]1CN1CCOCC1)S(C)(=O)=O ZINC000377687470 397125141 /nfs/dbraw/zinc/12/51/41/397125141.db2.gz TXBUADDEXKVNID-STQMWFEESA-N 0 0 318.439 0.133 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000612789427 397138348 /nfs/dbraw/zinc/13/83/48/397138348.db2.gz ONTUGBLLBGCOOJ-WKPIXPDZSA-N 0 0 319.361 0.464 10 0 DCAERN O=S1(=O)CCc2nnc([C@@H]3Cc4ccccc4O3)n2CC1 ZINC000630950652 397146664 /nfs/dbraw/zinc/14/66/64/397146664.db2.gz DRKLZPAVTYQHDR-LBPRGKRZSA-N 0 0 305.359 0.925 10 0 DCAERN CCc1nc(CN2CCC[C@H](N(C)Cc3cnn(C)n3)C2)no1 ZINC000377875195 397158044 /nfs/dbraw/zinc/15/80/44/397158044.db2.gz REFCQEIOPOSYCR-ZDUSSCGKSA-N 0 0 319.413 0.857 10 0 DCAERN CC1(C)CN(C(=O)N[C@@H]2CC[S@](=O)C2)C[C@@]2(CCOC2)O1 ZINC000572931892 397113204 /nfs/dbraw/zinc/11/32/04/397113204.db2.gz JODNWAJZYDVPPD-DAKYAEBGSA-N 0 0 316.423 0.487 10 0 DCAERN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000597835102 397117597 /nfs/dbraw/zinc/11/75/97/397117597.db2.gz LVKFLFTWPPQIJU-DGCLKSJQSA-N 0 0 303.362 0.823 10 0 DCAERN C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000630853666 397118674 /nfs/dbraw/zinc/11/86/74/397118674.db2.gz YQZOMOYOFRESSH-FRRDWIJNSA-N 0 0 306.414 0.996 10 0 DCAERN CCN1CC[C@H](NC(=O)NC[C@H]2CCc3nnc(C)n3C2)C1=O ZINC000619803550 397196277 /nfs/dbraw/zinc/19/62/77/397196277.db2.gz LXTXZPLUAMSLPT-NEPJUHHUSA-N 0 0 320.397 0.069 10 0 DCAERN Cc1nnc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)o1 ZINC000598257149 397196528 /nfs/dbraw/zinc/19/65/28/397196528.db2.gz QGGPGKYFYFKQEU-GFCCVEGCSA-N 0 0 315.333 0.983 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)N2C[C@H](O)C3(CC3)C2)c1 ZINC000364447474 397204732 /nfs/dbraw/zinc/20/47/32/397204732.db2.gz LVUDRIFQJIKHMI-ZDUSSCGKSA-N 0 0 304.346 0.538 10 0 DCAERN NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC000378272756 397221377 /nfs/dbraw/zinc/22/13/77/397221377.db2.gz YTNYLMFBWONULC-LBPRGKRZSA-N 0 0 311.345 0.584 10 0 DCAERN C[C@@H]1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CCS1(=O)=O ZINC000574018879 397226897 /nfs/dbraw/zinc/22/68/97/397226897.db2.gz YXIPRRGCJDIUTC-MCIONIFRSA-N 0 0 321.439 0.052 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000574102249 397236100 /nfs/dbraw/zinc/23/61/00/397236100.db2.gz HHJDNSOLLTVLGI-IUODEOHRSA-N 0 0 307.398 0.163 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cn(CC)c(C)n1 ZINC000385660899 397285034 /nfs/dbraw/zinc/28/50/34/397285034.db2.gz MAFTXWPZZVUXEB-NWDGAFQWSA-N 0 0 301.412 0.993 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000385769242 397285543 /nfs/dbraw/zinc/28/55/43/397285543.db2.gz YMSNFQXYQDXDGM-NEPJUHHUSA-N 0 0 301.412 0.818 10 0 DCAERN CCc1noc([C@]2(O)CCN(C(=O)Cc3ccc(C)nc3)C2)n1 ZINC000365602451 397299803 /nfs/dbraw/zinc/29/98/03/397299803.db2.gz RYPHCGLLCNXKRM-INIZCTEOSA-N 0 0 316.361 0.998 10 0 DCAERN CCN(CC)c1ccc(NC(=O)CN2CCOCC2=O)cn1 ZINC000574807724 397301404 /nfs/dbraw/zinc/30/14/04/397301404.db2.gz GAWVAAQCXDAQMW-UHFFFAOYSA-N 0 0 306.366 0.725 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCC(c3ccon3)CC2)nn1 ZINC000620227645 397252427 /nfs/dbraw/zinc/25/24/27/397252427.db2.gz FRBMVRHENXQJAQ-UHFFFAOYSA-N 0 0 303.322 0.875 10 0 DCAERN C[C@@H](c1nnnn1C1CC1)N1CCc2ncnc(N(C)C)c2C1 ZINC000365272053 397257506 /nfs/dbraw/zinc/25/75/06/397257506.db2.gz WXDXEEWZWYLVTD-JTQLQIEISA-N 0 0 314.397 0.983 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000407952864 397335086 /nfs/dbraw/zinc/33/50/86/397335086.db2.gz JWDRXISDEBQHER-GXTWGEPZSA-N 0 0 309.410 0.664 10 0 DCAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCN(C2CC2)C(=O)C1 ZINC000407953525 397335180 /nfs/dbraw/zinc/33/51/80/397335180.db2.gz DDHFJQZUGLURSD-CYBMUJFWSA-N 0 0 313.357 0.946 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000366153883 397344253 /nfs/dbraw/zinc/34/42/53/397344253.db2.gz XKYJPSDOEXDVTG-UHFFFAOYSA-N 0 0 318.373 0.355 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000408027466 397345009 /nfs/dbraw/zinc/34/50/09/397345009.db2.gz LLYXBSINWILPOU-ZJUUUORDSA-N 0 0 303.388 0.153 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)nc1 ZINC000408105246 397347509 /nfs/dbraw/zinc/34/75/09/397347509.db2.gz SVNCRQKWIGIRTC-LBPRGKRZSA-N 0 0 311.407 0.396 10 0 DCAERN Cc1nc(C(C)(C)NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)no1 ZINC000408158028 397348043 /nfs/dbraw/zinc/34/80/43/397348043.db2.gz AFMFIQQEBBGKEN-RKDXNWHRSA-N 0 0 318.399 0.557 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@](C)(C(F)F)C2)nn1 ZINC000621189142 397348931 /nfs/dbraw/zinc/34/89/31/397348931.db2.gz JZHDIXZZTBDMOS-LBPRGKRZSA-N 0 0 302.281 0.363 10 0 DCAERN COC1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408174322 397349236 /nfs/dbraw/zinc/34/92/36/397349236.db2.gz IZEWQADBMPWZBN-GXTWGEPZSA-N 0 0 306.366 0.187 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408210450 397350301 /nfs/dbraw/zinc/35/03/01/397350301.db2.gz HPKMEEQAJMLTMC-VXGBXAGGSA-N 0 0 320.455 0.523 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N(C)[C@H](C)C(C)C)N(S(C)(=O)=O)C1 ZINC000408449581 397357459 /nfs/dbraw/zinc/35/74/59/397357459.db2.gz AGWSSMKYRYQJBO-GRYCIOLGSA-N 0 0 306.428 0.538 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1nnnn1-c1ccccc1 ZINC000593072804 397321012 /nfs/dbraw/zinc/32/10/12/397321012.db2.gz ALTPHMUYOKQPQG-ZDUSSCGKSA-N 0 0 314.349 0.289 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)[C@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000456584072 397425278 /nfs/dbraw/zinc/42/52/78/397425278.db2.gz UXQBDVWFMJNZRL-HZUKXOBISA-N 0 0 308.378 0.529 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)CN1C(=O)Cc2ccccc21 ZINC000614454650 397441907 /nfs/dbraw/zinc/44/19/07/397441907.db2.gz IJGGGVZUFUOZJM-ZYHUDNBSSA-N 0 0 301.346 0.359 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000366705442 397394089 /nfs/dbraw/zinc/39/40/89/397394089.db2.gz VKYKWPCJXFYZJH-IJLUTSLNSA-N 0 0 303.428 0.897 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)C1 ZINC000621578865 397400128 /nfs/dbraw/zinc/40/01/28/397400128.db2.gz LQBDRVMDALYENP-GDPRMGEGSA-N 0 0 323.315 0.968 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NCCOCC1CCC1)n1cccn1 ZINC000578185629 397401828 /nfs/dbraw/zinc/40/18/28/397401828.db2.gz DYINNUSZWSNHOX-ZDUSSCGKSA-N 0 0 322.409 0.835 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)CCOC)(C(=O)OC)C1(C)C ZINC000444278755 397415528 /nfs/dbraw/zinc/41/55/28/397415528.db2.gz UVJLBXLNFSMHPR-GXFFZTMASA-N 0 0 323.411 0.299 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000614528935 397465155 /nfs/dbraw/zinc/46/51/55/397465155.db2.gz FOBNZENOEIWPNX-LBPRGKRZSA-N 0 0 305.334 0.285 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccco1 ZINC000487095975 397465558 /nfs/dbraw/zinc/46/55/58/397465558.db2.gz MJKIQXMEUXEOMN-WDEREUQCSA-N 0 0 310.350 0.785 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)nc1 ZINC000487093538 397466074 /nfs/dbraw/zinc/46/60/74/397466074.db2.gz CDSFZRSOJAAFAW-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN Cc1ccc(N2N=C(C(=O)N3CC[C@@](C)(O)C3)NCC2=O)cc1 ZINC000370302194 397467793 /nfs/dbraw/zinc/46/77/93/397467793.db2.gz VJCNFJPGSDUUBZ-MRXNPFEDSA-N 0 0 316.361 0.228 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc(F)c1 ZINC000487146153 397467887 /nfs/dbraw/zinc/46/78/87/397467887.db2.gz ATKUTMJYHCEXNH-QWRGUYRKSA-N 0 0 324.352 0.941 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCCCS(C)(=O)=O)[nH]n1 ZINC000487275995 397468043 /nfs/dbraw/zinc/46/80/43/397468043.db2.gz IEZPWSMGHXKQCC-VIFPVBQESA-N 0 0 302.400 0.383 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnn1C(C)C ZINC000488310219 397489181 /nfs/dbraw/zinc/48/91/81/397489181.db2.gz GRFUFOUBIRZLAT-MNOVXSKESA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1coc(CC)n1 ZINC000488296917 397489276 /nfs/dbraw/zinc/48/92/76/397489276.db2.gz OSTLQLPICQBMRB-RKDXNWHRSA-N 0 0 311.338 0.423 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC000614646372 397490249 /nfs/dbraw/zinc/49/02/49/397490249.db2.gz ALMHBYMXEQPQEE-UHFFFAOYSA-N 0 0 320.393 0.803 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000578795232 397486281 /nfs/dbraw/zinc/48/62/81/397486281.db2.gz YCPHUAJLXMTDMK-FIYWTHMPSA-N 0 0 300.424 0.963 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@]1(C)CCCOC1 ZINC000488169119 397486775 /nfs/dbraw/zinc/48/67/75/397486775.db2.gz YSZGUPYJGQWIST-ZETOZRRWSA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnc(C)nc1C ZINC000488273866 397487521 /nfs/dbraw/zinc/48/75/21/397487521.db2.gz RGNKGCJLDSJVRM-NXEZZACHSA-N 0 0 322.365 0.280 10 0 DCAERN O=C(c1cnc(C2CC2)s1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000578959551 397505108 /nfs/dbraw/zinc/50/51/08/397505108.db2.gz HYAFTCOOYMWBCL-CQSZACIVSA-N 0 0 320.374 0.835 10 0 DCAERN COCCOc1cncc(C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000579143533 397529781 /nfs/dbraw/zinc/52/97/81/397529781.db2.gz OVPBEYJUFZTNPB-INIZCTEOSA-N 0 0 322.361 0.738 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)Nc1c(C)nn(C)c1C ZINC000603613538 397618170 /nfs/dbraw/zinc/61/81/70/397618170.db2.gz ULYLUTZQTJYCSK-QMMMGPOBSA-N 0 0 302.400 0.982 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000608173046 397719256 /nfs/dbraw/zinc/71/92/56/397719256.db2.gz RMAUYXSFKIPSEU-GFCCVEGCSA-N 0 0 316.365 0.549 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608233920 397722617 /nfs/dbraw/zinc/72/26/17/397722617.db2.gz PQRKDDBPPKKXIC-ZANVPECISA-N 0 0 316.365 0.629 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCC1(O)Cc2ccccc2C1)C(C)C ZINC000606423852 397680465 /nfs/dbraw/zinc/68/04/65/397680465.db2.gz NJPPUKGSPRTORZ-OAHLLOKOSA-N 0 0 304.390 0.793 10 0 DCAERN Cc1ccn(-c2ccc(N(C)C[C@H]3CCS(=O)(=O)C3)nn2)n1 ZINC000607148576 397697371 /nfs/dbraw/zinc/69/73/71/397697371.db2.gz ZFMGCFNEBVBXLN-GFCCVEGCSA-N 0 0 321.406 0.842 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccncc1F ZINC000607338068 397700861 /nfs/dbraw/zinc/70/08/61/397700861.db2.gz ADQHKRPFOFFEJI-UHFFFAOYSA-N 0 0 301.343 0.376 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C1CC1 ZINC000607909719 397706484 /nfs/dbraw/zinc/70/64/84/397706484.db2.gz FHRJYBMHUDUFLR-JTQLQIEISA-N 0 0 312.395 0.061 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000609171342 397763033 /nfs/dbraw/zinc/76/30/33/397763033.db2.gz QSXPIKAQCRZWQK-NSHDSACASA-N 0 0 308.378 0.847 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000610027027 397801296 /nfs/dbraw/zinc/80/12/96/397801296.db2.gz XEUVVXJGEJTQLA-LLVKDONJSA-N 0 0 304.306 0.740 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610449058 397822104 /nfs/dbraw/zinc/82/21/04/397822104.db2.gz NNOSCINEJPFCRZ-ZDUSSCGKSA-N 0 0 312.410 0.897 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000376604069 292368933 /nfs/dbraw/zinc/36/89/33/292368933.db2.gz KXVAFBBYMRJFJO-MNOVXSKESA-N 0 0 309.384 0.005 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000028735741 157982351 /nfs/dbraw/zinc/98/23/51/157982351.db2.gz WOVFBIIPDGALLE-LLVKDONJSA-N 0 0 315.377 0.960 10 0 DCAERN O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCCC1 ZINC000028095630 157982749 /nfs/dbraw/zinc/98/27/49/157982749.db2.gz KHXOYOQVINHZGX-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN(CCC(=O)NC(C)C)CC1 ZINC000046512193 158001438 /nfs/dbraw/zinc/00/14/38/158001438.db2.gz VWONGANSVIYCFM-AWEZNQCLSA-N 0 0 312.458 0.433 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000048671733 158007011 /nfs/dbraw/zinc/00/70/11/158007011.db2.gz TYAZUZCFVSRSGB-AAEUAGOBSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(O)cc1 ZINC000049502700 158010785 /nfs/dbraw/zinc/01/07/85/158010785.db2.gz OFYMYQCNQKRCOC-NSHDSACASA-N 0 0 300.380 0.391 10 0 DCAERN COC(=O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000055110737 158021989 /nfs/dbraw/zinc/02/19/89/158021989.db2.gz VGWAFLITHHHEFT-GFCCVEGCSA-N 0 0 324.402 0.961 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000058728122 158027151 /nfs/dbraw/zinc/02/71/51/158027151.db2.gz IHSAYRVEUIIENV-DGCLKSJQSA-N 0 0 324.402 0.908 10 0 DCAERN COc1ccc(N2C[C@@H](C(=O)N[C@H](C)CO)CC2=O)cc1OC ZINC000062159497 158030183 /nfs/dbraw/zinc/03/01/83/158030183.db2.gz VMZTWMZJXLXYBL-MNOVXSKESA-N 0 0 322.361 0.554 10 0 DCAERN COCc1ccc(CNC(=O)CN2CCNC(=O)CC2)cc1 ZINC000065954657 158034299 /nfs/dbraw/zinc/03/42/99/158034299.db2.gz UPNVVEPOSGVFSN-UHFFFAOYSA-N 0 0 305.378 0.271 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCNC(=O)CC2)c1)C1CC1 ZINC000065903215 158034705 /nfs/dbraw/zinc/03/47/05/158034705.db2.gz WXCUPIYUXPTZJT-UHFFFAOYSA-N 0 0 301.346 0.997 10 0 DCAERN C[C@@H](NC(=O)CNC(N)=O)c1cccc(N2CCCC2=O)c1 ZINC000065992364 158034735 /nfs/dbraw/zinc/03/47/35/158034735.db2.gz NYZXUNSYDMFVSF-SNVBAGLBSA-N 0 0 304.350 0.659 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1 ZINC000066325654 158035934 /nfs/dbraw/zinc/03/59/34/158035934.db2.gz BSDVXXILTLULHJ-LBPRGKRZSA-N 0 0 318.377 0.887 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000068098668 158041785 /nfs/dbraw/zinc/04/17/85/158041785.db2.gz SVPDHOGNIGMHCU-ONGXEEELSA-N 0 0 311.407 0.721 10 0 DCAERN C[C@H](CC(=O)N1CCNC(=O)CC1)NC(=O)c1ccccc1 ZINC000068258373 158042363 /nfs/dbraw/zinc/04/23/63/158042363.db2.gz UKVYLYHAERKBKC-GFCCVEGCSA-N 0 0 303.362 0.544 10 0 DCAERN CCc1nnc(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)[nH]1 ZINC000073929674 158056589 /nfs/dbraw/zinc/05/65/89/158056589.db2.gz QJHDCQWLFFZLQR-QMMMGPOBSA-N 0 0 311.411 0.585 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000073799426 158056692 /nfs/dbraw/zinc/05/66/92/158056692.db2.gz GSLSVRQETZCKFD-LLVKDONJSA-N 0 0 311.426 0.864 10 0 DCAERN C[C@H](CNC(=O)[C@H]1Cc2cc(F)ccc2O1)N1CCOCC1 ZINC000076957851 158065957 /nfs/dbraw/zinc/06/59/57/158065957.db2.gz FTBHDDFFHGBNPZ-IAQYHMDHSA-N 0 0 308.353 0.966 10 0 DCAERN CCN(C(=O)CN1[C@H](C)COC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000077367543 158067459 /nfs/dbraw/zinc/06/74/59/158067459.db2.gz KRVPVLOUUHWFHV-XQQFMLRXSA-N 0 0 318.439 0.131 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2[C@H](C)COC[C@@H]2C)C1 ZINC000077657635 158068685 /nfs/dbraw/zinc/06/86/85/158068685.db2.gz FGUVHLUZDGBCPV-HZSPNIEDSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)CCO1 ZINC000077719749 158068978 /nfs/dbraw/zinc/06/89/78/158068978.db2.gz HOGKXTIRQXUENO-SNVBAGLBSA-N 0 0 316.317 0.922 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@@H]1CCCO1 ZINC000078293067 158071604 /nfs/dbraw/zinc/07/16/04/158071604.db2.gz BZUAYLMXPBJLMR-YPMHNXCESA-N 0 0 321.381 0.346 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)[C@H]1CCCO1 ZINC000078293071 158071765 /nfs/dbraw/zinc/07/17/65/158071765.db2.gz BZUAYLMXPBJLMR-DGCLKSJQSA-N 0 0 321.381 0.346 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000078805710 158075696 /nfs/dbraw/zinc/07/56/96/158075696.db2.gz MJPHKEWISJQQNS-UHFFFAOYSA-N 0 0 310.398 0.119 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081047410 158082847 /nfs/dbraw/zinc/08/28/47/158082847.db2.gz GKTSFKWPPODVNE-RDDDGLTNSA-N 0 0 309.288 0.362 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccs2)[C@H](C)CO1 ZINC000081187795 158083212 /nfs/dbraw/zinc/08/32/12/158083212.db2.gz YYOTZBJJEQJMBU-NXEZZACHSA-N 0 0 305.425 0.929 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084756381 158089037 /nfs/dbraw/zinc/08/90/37/158089037.db2.gz ATFCKBXKJMQJQG-NSHDSACASA-N 0 0 316.379 0.580 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)[C@H](C)COC ZINC000088787127 158096213 /nfs/dbraw/zinc/09/62/13/158096213.db2.gz NASMHUBRVYPDOR-ZJUUUORDSA-N 0 0 302.400 0.630 10 0 DCAERN NCc1nc(C(=O)Nc2ccc(OCC(N)=O)cc2)cs1 ZINC000090930547 158105346 /nfs/dbraw/zinc/10/53/46/158105346.db2.gz UNEOOUBNNSXHAQ-UHFFFAOYSA-N 0 0 306.347 0.718 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000091227312 158108327 /nfs/dbraw/zinc/10/83/27/158108327.db2.gz QJVDWOPVFZZROM-LBPRGKRZSA-N 0 0 309.370 0.560 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000093191127 158118058 /nfs/dbraw/zinc/11/80/58/158118058.db2.gz SEVIUCGAUYJWNB-INIZCTEOSA-N 0 0 319.405 0.540 10 0 DCAERN CCc1nn(C)c(CC)c1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093531590 158120888 /nfs/dbraw/zinc/12/08/88/158120888.db2.gz QERTXGBNPHABBJ-LLVKDONJSA-N 0 0 314.455 0.668 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)CO)C(C)C ZINC000097204641 158125983 /nfs/dbraw/zinc/12/59/83/158125983.db2.gz RVTFKOSHTGLSAG-RISCZKNCSA-N 0 0 308.378 0.947 10 0 DCAERN Cn1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1=O ZINC000105810814 158131260 /nfs/dbraw/zinc/13/12/60/158131260.db2.gz MCEBNXMHJHVALE-UHFFFAOYSA-N 0 0 313.361 0.528 10 0 DCAERN C[C@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000109264575 158136786 /nfs/dbraw/zinc/13/67/86/158136786.db2.gz VGAQXMLOCTWEKF-SWLSCSKDSA-N 0 0 306.362 0.713 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000109137319 158137021 /nfs/dbraw/zinc/13/70/21/158137021.db2.gz ZEQROSUKHNKGAA-AWEZNQCLSA-N 0 0 305.378 0.728 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1c1nccs1 ZINC000110627009 158138410 /nfs/dbraw/zinc/13/84/10/158138410.db2.gz MOQCPDCNXQUNQM-MNOVXSKESA-N 0 0 308.407 0.897 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110673484 158138749 /nfs/dbraw/zinc/13/87/49/158138749.db2.gz OCDVIIQNEFRGMO-RYUDHWBXSA-N 0 0 310.423 0.559 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110946931 158139005 /nfs/dbraw/zinc/13/90/05/158139005.db2.gz XBILHRSDCOEDKW-NEPJUHHUSA-N 0 0 322.365 0.221 10 0 DCAERN Cn1nc(C(=O)N2CCCC[C@H]2CN2CCOCC2)ccc1=O ZINC000110957823 158139692 /nfs/dbraw/zinc/13/96/92/158139692.db2.gz RNSJPDGFFOQUJZ-ZDUSSCGKSA-N 0 0 320.393 0.107 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000110986725 158140148 /nfs/dbraw/zinc/14/01/48/158140148.db2.gz FWQQHKKFBCPEMN-NSHDSACASA-N 0 0 301.350 0.636 10 0 DCAERN COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)c1n[nH]c2c1CCCC2 ZINC000111144763 158140595 /nfs/dbraw/zinc/14/05/95/158140595.db2.gz WODBMVFTSAQGGE-BXKDBHETSA-N 0 0 307.350 0.691 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccccc1)CC2 ZINC000114865796 158158858 /nfs/dbraw/zinc/15/88/58/158158858.db2.gz DMFUDFHDOSNQHA-LBPRGKRZSA-N 0 0 313.361 0.910 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCCn1cccn1 ZINC000114921460 158159826 /nfs/dbraw/zinc/15/98/26/158159826.db2.gz DLSIXSLGTJEVFA-UHFFFAOYSA-N 0 0 301.350 0.612 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116789422 158167261 /nfs/dbraw/zinc/16/72/61/158167261.db2.gz IHBALMQZUYHAQA-ZDUSSCGKSA-N 0 0 320.455 0.236 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000117610637 158171687 /nfs/dbraw/zinc/17/16/87/158171687.db2.gz MGNBFOASZOZOKS-XPTSAGLGSA-N 0 0 300.318 0.872 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117642470 158172169 /nfs/dbraw/zinc/17/21/69/158172169.db2.gz BYYKSOGHUBUJQI-MFKMUULPSA-N 0 0 312.391 0.607 10 0 DCAERN O=C(COC[C@@H]1CCOC1)NCc1nnc2n1CCCCC2 ZINC000117749636 158173631 /nfs/dbraw/zinc/17/36/31/158173631.db2.gz HBOHGTSTAAEBSE-GFCCVEGCSA-N 0 0 308.382 0.674 10 0 DCAERN NC(=O)NCCC(=O)NCCc1csc(N2CCCC2)n1 ZINC000117984234 158174781 /nfs/dbraw/zinc/17/47/81/158174781.db2.gz BWETUCPCOIUFEE-UHFFFAOYSA-N 0 0 311.411 0.460 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1CCCCNC1=O ZINC000119361791 158185827 /nfs/dbraw/zinc/18/58/27/158185827.db2.gz QUSSUBXMVPKRQB-RYUDHWBXSA-N 0 0 312.414 0.649 10 0 DCAERN NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000119882021 158190867 /nfs/dbraw/zinc/19/08/67/158190867.db2.gz PLVDAXRNULVRQF-KBPBESRZSA-N 0 0 321.421 0.892 10 0 DCAERN CCCC(=O)NCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000119747459 158190943 /nfs/dbraw/zinc/19/09/43/158190943.db2.gz CDPAOFVOGCVGNB-UHFFFAOYSA-N 0 0 301.350 0.800 10 0 DCAERN CCC(C)(C)NC(=O)CS(=O)(=O)CCCC(=O)N(C)C ZINC000120441094 158197930 /nfs/dbraw/zinc/19/79/30/158197930.db2.gz XYNNRTLPNJSIBJ-UHFFFAOYSA-N 0 0 306.428 0.574 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2CO)C1 ZINC000120497801 158199821 /nfs/dbraw/zinc/19/98/21/158199821.db2.gz KIBFDNPBARPJLN-AGIUHOORSA-N 0 0 312.414 0.641 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)C1 ZINC000120702893 158202432 /nfs/dbraw/zinc/20/24/32/158202432.db2.gz GIVHRWAIOXZDDI-AVGNSLFASA-N 0 0 310.398 0.341 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000121230935 158208813 /nfs/dbraw/zinc/20/88/13/158208813.db2.gz YLBZJLDARBZHEE-LLVKDONJSA-N 0 0 302.334 0.217 10 0 DCAERN C[C@H]1CN(C(=O)Cc2cn3ccsc3n2)CCS1(=O)=O ZINC000121681223 158212827 /nfs/dbraw/zinc/21/28/27/158212827.db2.gz AETZHRDTQPNEKA-VIFPVBQESA-N 0 0 313.404 0.584 10 0 DCAERN COCCN(C[C@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121833936 158214939 /nfs/dbraw/zinc/21/49/39/158214939.db2.gz PUTZIIHMDSVYRH-BDAKNGLRSA-N 0 0 305.318 0.045 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000122191448 158218199 /nfs/dbraw/zinc/21/81/99/158218199.db2.gz SYIRVCUOBOJTBU-UHFFFAOYSA-N 0 0 321.381 0.026 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122298757 158219665 /nfs/dbraw/zinc/21/96/65/158219665.db2.gz WWDQKRLOGTUXDC-NWDGAFQWSA-N 0 0 316.423 0.423 10 0 DCAERN CN(C(=O)Cn1cccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122357264 158220744 /nfs/dbraw/zinc/22/07/44/158220744.db2.gz ACEFOCFBHUGZTL-ZDUSSCGKSA-N 0 0 300.366 0.801 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@@H](C(N)=O)O1 ZINC000122460152 158221098 /nfs/dbraw/zinc/22/10/98/158221098.db2.gz GPRDIPBEFJSDOX-SCZZXKLOSA-N 0 0 312.757 0.248 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](CCO)C1 ZINC000124180309 158237852 /nfs/dbraw/zinc/23/78/52/158237852.db2.gz SVGJJTRHJHKZHF-LLVKDONJSA-N 0 0 313.375 0.866 10 0 DCAERN CSCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000124166118 158238766 /nfs/dbraw/zinc/23/87/66/158238766.db2.gz QIVZOKSHJCVDHC-UHFFFAOYSA-N 0 0 307.375 0.559 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)CCc1ncc(C)s1 ZINC000124795645 158248373 /nfs/dbraw/zinc/24/83/73/158248373.db2.gz KRAZVFRZWHKTSD-UHFFFAOYSA-N 0 0 319.452 0.734 10 0 DCAERN CN(C)c1nc(Cn2c(=O)onc2-c2ncccn2)ns1 ZINC000125549519 158256986 /nfs/dbraw/zinc/25/69/86/158256986.db2.gz QVYUPQODUIMMIW-UHFFFAOYSA-N 0 0 305.323 0.259 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126130835 158261771 /nfs/dbraw/zinc/26/17/71/158261771.db2.gz JIIFYHVBVXIBBL-UHFFFAOYSA-N 0 0 313.423 0.947 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CN3CCCCC3=O)[C@@H]2C1 ZINC000126803499 158267270 /nfs/dbraw/zinc/26/72/70/158267270.db2.gz LKXWDJWUZVZEEP-MCIONIFRSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@H]1COc2ccccc21 ZINC000126817287 158268398 /nfs/dbraw/zinc/26/83/98/158268398.db2.gz YMEMWJDUBQYTCE-DGCLKSJQSA-N 0 0 324.402 0.991 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H]1COc2ccccc21 ZINC000126816789 158268961 /nfs/dbraw/zinc/26/89/61/158268961.db2.gz YMEMWJDUBQYTCE-YPMHNXCESA-N 0 0 324.402 0.991 10 0 DCAERN O=C(COc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000129086641 158286076 /nfs/dbraw/zinc/28/60/76/158286076.db2.gz SLWWPGZRNUJHSQ-CYBMUJFWSA-N 0 0 312.341 0.014 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N[C@@H](CO)CC(C)(C)C)c2=O ZINC000129230393 158286146 /nfs/dbraw/zinc/28/61/46/158286146.db2.gz XCCWFBPXOALINA-SNVBAGLBSA-N 0 0 321.381 0.043 10 0 DCAERN CC(C)=C(F)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000129207043 158286693 /nfs/dbraw/zinc/28/66/93/158286693.db2.gz DWEMAWZHPZPSGD-UHFFFAOYSA-N 0 0 310.329 0.944 10 0 DCAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@H](C)CO ZINC000131222164 158300403 /nfs/dbraw/zinc/30/04/03/158300403.db2.gz VFKPQOXINUAUOF-NXEZZACHSA-N 0 0 320.436 0.550 10 0 DCAERN Cc1ccc(OC[C@H](O)Cn2nc(C(N)=O)ccc2=O)c(C)c1 ZINC000131285353 158302254 /nfs/dbraw/zinc/30/22/54/158302254.db2.gz FTNSFVIVSKQWNM-GFCCVEGCSA-N 0 0 317.345 0.399 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000131721778 158304175 /nfs/dbraw/zinc/30/41/75/158304175.db2.gz CUDLBSTZKCGCDH-DTWKUNHWSA-N 0 0 304.368 0.277 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c(=O)[nH]c1C ZINC000132447014 158311433 /nfs/dbraw/zinc/31/14/33/158311433.db2.gz UFXYEWYFNRUJNI-LLVKDONJSA-N 0 0 318.308 0.482 10 0 DCAERN OCCOc1cncc(N2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000133361139 158318126 /nfs/dbraw/zinc/31/81/26/158318126.db2.gz KGXPNVBSXOZOTR-GFCCVEGCSA-N 0 0 304.354 0.356 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COC[C@H]1CCOC1)CC2 ZINC000133945185 158323147 /nfs/dbraw/zinc/32/31/47/158323147.db2.gz HWKFJHIFPVCNMD-QWHCGFSZSA-N 0 0 322.409 0.886 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(O)cc3)CCO2)[nH]1 ZINC000134015619 158323622 /nfs/dbraw/zinc/32/36/22/158323622.db2.gz VPEZIYSSNYBKLQ-CYBMUJFWSA-N 0 0 302.334 0.961 10 0 DCAERN CCC(C)(C)[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000134113553 158324473 /nfs/dbraw/zinc/32/44/73/158324473.db2.gz CNHIQWZGPMBQRT-LBPRGKRZSA-N 0 0 307.394 0.974 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCCn2ccnc2)C[C@H](C)O1 ZINC000134544157 158328753 /nfs/dbraw/zinc/32/87/53/158328753.db2.gz GLCYVCZGZVCXHL-STQMWFEESA-N 0 0 316.427 0.559 10 0 DCAERN CCc1cc(C)c(C(=O)NCCN2CCS(=O)(=O)CC2)o1 ZINC000134978553 158332210 /nfs/dbraw/zinc/33/22/10/158332210.db2.gz WGIIZZNCEHEHKZ-UHFFFAOYSA-N 0 0 314.407 0.611 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135689184 158340349 /nfs/dbraw/zinc/34/03/49/158340349.db2.gz LHJNHVBKAJVQSM-YPMHNXCESA-N 0 0 312.391 0.742 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000136049801 158341396 /nfs/dbraw/zinc/34/13/96/158341396.db2.gz FHKDSGHTMJGDDZ-UKRRQHHQSA-N 0 0 304.390 0.965 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000136110520 158341832 /nfs/dbraw/zinc/34/18/32/158341832.db2.gz DPBSCEOFMOKTJS-GFCCVEGCSA-N 0 0 304.412 0.486 10 0 DCAERN NC(=O)COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000151023900 158348728 /nfs/dbraw/zinc/34/87/28/158348728.db2.gz CLKZIGLGDPTRHN-GXTWGEPZSA-N 0 0 306.362 0.832 10 0 DCAERN C[C@@H]1CN(C(=O)NCC[C@H]2CCCCO2)CCS1(=O)=O ZINC000161865660 158358898 /nfs/dbraw/zinc/35/88/98/158358898.db2.gz RZMGYICJISWJJL-VXGBXAGGSA-N 0 0 304.412 0.774 10 0 DCAERN Cn1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1=O ZINC000170222378 158373761 /nfs/dbraw/zinc/37/37/61/158373761.db2.gz NKBOQWNEVNHPLP-NSHDSACASA-N 0 0 300.314 0.955 10 0 DCAERN O=C(c1ccc2n[nH]nc2c1)N1CCN(c2cccnn2)CC1 ZINC000170631890 158374870 /nfs/dbraw/zinc/37/48/70/158374870.db2.gz HHHAYXCLDKOSBI-UHFFFAOYSA-N 0 0 309.333 0.710 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccccc2N2CCOCC2)C1 ZINC000170683820 158376087 /nfs/dbraw/zinc/37/60/87/158376087.db2.gz GZFCHBCWCSXYBX-AWEZNQCLSA-N 0 0 319.405 0.584 10 0 DCAERN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000170981866 158378169 /nfs/dbraw/zinc/37/81/69/158378169.db2.gz DQDSEQNHZTYCFH-AWEZNQCLSA-N 0 0 320.414 0.882 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000171100391 158381283 /nfs/dbraw/zinc/38/12/83/158381283.db2.gz RCPGJHZMRZLIRX-GFCCVEGCSA-N 0 0 306.428 0.038 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000171576637 158383966 /nfs/dbraw/zinc/38/39/66/158383966.db2.gz NNETXBUETJEFTI-GFCCVEGCSA-N 0 0 318.377 0.753 10 0 DCAERN COC(C)(C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000171595301 158384078 /nfs/dbraw/zinc/38/40/78/158384078.db2.gz IMUCANFKLIFHBQ-UHFFFAOYSA-N 0 0 307.398 0.140 10 0 DCAERN O=C(Nc1ccc2nccnc2c1)C(=O)N[C@H]1CCCOC1 ZINC000171623914 158384480 /nfs/dbraw/zinc/38/44/80/158384480.db2.gz JVIJAXFMOSOCPI-NSHDSACASA-N 0 0 300.318 0.864 10 0 DCAERN Cc1nnc([C@@H](NC(=O)CN2CCCC2=O)c2ccccc2)[nH]1 ZINC000171572029 158384495 /nfs/dbraw/zinc/38/44/95/158384495.db2.gz XGFDOOZSCWSOOY-HNNXBMFYSA-N 0 0 313.361 0.941 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000171650339 158385964 /nfs/dbraw/zinc/38/59/64/158385964.db2.gz HGDNDAAJVCDLOT-CYBMUJFWSA-N 0 0 309.410 0.810 10 0 DCAERN C[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(N)=O ZINC000171950236 158388991 /nfs/dbraw/zinc/38/89/91/158388991.db2.gz BVCBQXFQGJJTDB-YFKPBYRVSA-N 0 0 311.139 0.929 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000172548223 158395499 /nfs/dbraw/zinc/39/54/99/158395499.db2.gz MKXCJKDUTMTYQR-JQWIXIFHSA-N 0 0 310.398 0.389 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172692428 158399046 /nfs/dbraw/zinc/39/90/46/158399046.db2.gz RPFJQCIBJPZGRL-RYUDHWBXSA-N 0 0 304.346 0.814 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000173038789 158402335 /nfs/dbraw/zinc/40/23/35/158402335.db2.gz CDHLHNLLMHWLSW-CYBMUJFWSA-N 0 0 315.373 0.695 10 0 DCAERN Cc1c(C(=O)N2CCNC(=O)CC2)cccc1N1CCNC1=O ZINC000173508904 158406244 /nfs/dbraw/zinc/40/62/44/158406244.db2.gz NHLPRENZHQSSCR-UHFFFAOYSA-N 0 0 316.361 0.487 10 0 DCAERN C[C@@H](CNC(=O)CN1CC(=O)NC1=O)c1ccc(F)cc1F ZINC000174335278 158416116 /nfs/dbraw/zinc/41/61/16/158416116.db2.gz DDHLKFHLVHYZGN-QMMMGPOBSA-N 0 0 311.288 0.736 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000175174483 158423878 /nfs/dbraw/zinc/42/38/78/158423878.db2.gz MPGORXMGBUJOBG-VXGBXAGGSA-N 0 0 307.398 0.880 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1noc(C)n1 ZINC000175693588 158429306 /nfs/dbraw/zinc/42/93/06/158429306.db2.gz NWGGZKWGJWCCQO-NSHDSACASA-N 0 0 309.370 0.920 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000175726636 158429650 /nfs/dbraw/zinc/42/96/50/158429650.db2.gz JHPJDUMVWZPROJ-TZMCWYRMSA-N 0 0 309.414 0.705 10 0 DCAERN Cc1ccc(/C=C/CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 ZINC000176604822 158439325 /nfs/dbraw/zinc/43/93/25/158439325.db2.gz HLIJYAXAEJSDIE-NSCUHMNNSA-N 0 0 323.418 0.746 10 0 DCAERN CC1(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)CCC1 ZINC000176648187 158439702 /nfs/dbraw/zinc/43/97/02/158439702.db2.gz UKZCPSFDEYOIDQ-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC3(C)COC3)C2)cn1 ZINC000176697669 158441235 /nfs/dbraw/zinc/44/12/35/158441235.db2.gz QURAHFVILKZXFH-GFCCVEGCSA-N 0 0 307.398 0.725 10 0 DCAERN C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)C[C@@H](O)CO ZINC000177671342 158449355 /nfs/dbraw/zinc/44/93/55/158449355.db2.gz QWKXPJGTUUTXDZ-SFYZADRCSA-N 0 0 318.376 0.627 10 0 DCAERN CCNC(=O)C1CN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000178142110 158454180 /nfs/dbraw/zinc/45/41/80/158454180.db2.gz UTUXWKCOLHLRJB-UHFFFAOYSA-N 0 0 317.389 0.330 10 0 DCAERN COC(C)(C)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178237281 158455651 /nfs/dbraw/zinc/45/56/51/158455651.db2.gz AYUAMTWUWLWVEZ-NSHDSACASA-N 0 0 304.412 0.438 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(C)C ZINC000178700746 158462571 /nfs/dbraw/zinc/46/25/71/158462571.db2.gz CYRAIMRMNCCERO-SMDDNHRTSA-N 0 0 309.410 0.664 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178700552 158462599 /nfs/dbraw/zinc/46/25/99/158462599.db2.gz KOJQRNDBYHIVTM-DZGCQCFKSA-N 0 0 313.357 0.994 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(C)C ZINC000178927111 158466769 /nfs/dbraw/zinc/46/67/69/158466769.db2.gz REPJRNAUDQXDEU-ZDUSSCGKSA-N 0 0 312.391 0.938 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000179686818 158475530 /nfs/dbraw/zinc/47/55/30/158475530.db2.gz DBZKZDMIBMJAON-AWEZNQCLSA-N 0 0 320.370 0.715 10 0 DCAERN COCc1ccsc1C(=O)NCC1(C(N)=O)CCOCC1 ZINC000180376239 158477850 /nfs/dbraw/zinc/47/78/50/158477850.db2.gz MTOPEKSYJABEIV-UHFFFAOYSA-N 0 0 312.391 0.906 10 0 DCAERN COCCCOCC(=O)Nc1cc(-c2nccn2C)nn1C ZINC000181433365 158486466 /nfs/dbraw/zinc/48/64/66/158486466.db2.gz JVQMNIFWVWRSNK-UHFFFAOYSA-N 0 0 307.354 0.812 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H](C)C2 ZINC000182194354 158490847 /nfs/dbraw/zinc/49/08/47/158490847.db2.gz FYTCMUFIXYHXRX-BONVTDFDSA-N 0 0 313.361 0.735 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CCNC(=O)c1cccs1 ZINC000182846178 158493842 /nfs/dbraw/zinc/49/38/42/158493842.db2.gz FORXPSBZRRBQQU-AWEZNQCLSA-N 0 0 314.407 0.772 10 0 DCAERN COCc1ccsc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000182898860 158495290 /nfs/dbraw/zinc/49/52/90/158495290.db2.gz GHMHQNUMWOJJRZ-SNVBAGLBSA-N 0 0 312.391 0.560 10 0 DCAERN O=C(NCC(F)(F)CO)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000184473126 158508553 /nfs/dbraw/zinc/50/85/53/158508553.db2.gz GXHMDVVDSWFYOP-SNVBAGLBSA-N 0 0 315.324 0.372 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184659537 158510274 /nfs/dbraw/zinc/51/02/74/158510274.db2.gz AWFQQJXHPRAFKV-LLVKDONJSA-N 0 0 308.403 0.998 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CC(NC(=O)COC)C1 ZINC000185228597 158517786 /nfs/dbraw/zinc/51/77/86/158517786.db2.gz OCCKAVWPDBHGMI-UHFFFAOYSA-N 0 0 320.389 0.991 10 0 DCAERN CNC(=O)CC(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000185447273 158520283 /nfs/dbraw/zinc/52/02/83/158520283.db2.gz ZFNQVEOARUYZNL-UHFFFAOYSA-N 0 0 319.283 0.818 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185451245 158520494 /nfs/dbraw/zinc/52/04/94/158520494.db2.gz UDABKMQNWFXEMW-SFYZADRCSA-N 0 0 316.308 0.748 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000186086315 158526636 /nfs/dbraw/zinc/52/66/36/158526636.db2.gz NXSIIHVKSYVLGB-GFCCVEGCSA-N 0 0 307.325 0.526 10 0 DCAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@]2(CCOC2)C1 ZINC000186077216 158526875 /nfs/dbraw/zinc/52/68/75/158526875.db2.gz SLCWAALOBXJFBL-CXAGYDPISA-N 0 0 322.405 0.795 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000188103116 158543008 /nfs/dbraw/zinc/54/30/08/158543008.db2.gz ILDAUPQNSILOPB-SNVBAGLBSA-N 0 0 321.381 0.244 10 0 DCAERN Cn1nccc1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188100676 158543074 /nfs/dbraw/zinc/54/30/74/158543074.db2.gz KUHCNAYCCGZAAB-UHFFFAOYSA-N 0 0 300.366 0.983 10 0 DCAERN O=C(NC1CN(C(=O)[C@H]2CSCCS2)C1)C1CCC1 ZINC000188522957 158545045 /nfs/dbraw/zinc/54/50/45/158545045.db2.gz AOGCEBDQBJCSKS-LLVKDONJSA-N 0 0 300.449 0.962 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc(O)cc2F)CC1=O ZINC000189307732 158550817 /nfs/dbraw/zinc/55/08/17/158550817.db2.gz SUQDZBFGWCCDIB-UHFFFAOYSA-N 0 0 310.325 0.852 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190176155 158558428 /nfs/dbraw/zinc/55/84/28/158558428.db2.gz OZPBPPAWYFRRTJ-MNOVXSKESA-N 0 0 309.370 0.423 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cc1C ZINC000191045091 158565169 /nfs/dbraw/zinc/56/51/69/158565169.db2.gz LVFWFCYWJNHBGU-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1=O ZINC000191508328 158568286 /nfs/dbraw/zinc/56/82/86/158568286.db2.gz RLIYVNVRZREPOI-UHFFFAOYSA-N 0 0 301.306 0.150 10 0 DCAERN CCN1CN(C(=O)NCc2cccc(NC(C)=O)c2)CC1=O ZINC000191897805 158571761 /nfs/dbraw/zinc/57/17/61/158571761.db2.gz WJGNXFSESAJHNW-UHFFFAOYSA-N 0 0 304.350 0.976 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)NC1(CO)CCC1 ZINC000194597583 158597832 /nfs/dbraw/zinc/59/78/32/158597832.db2.gz QPPNBYOXHBPTQJ-UHFFFAOYSA-N 0 0 316.317 0.706 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N[C@@H]1COc2ccccc21 ZINC000194879239 158601969 /nfs/dbraw/zinc/60/19/69/158601969.db2.gz NXBMIONXOJYUFR-GFCCVEGCSA-N 0 0 310.375 0.662 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@]3(CCOC3)C2)C1 ZINC000247447019 158682032 /nfs/dbraw/zinc/68/20/32/158682032.db2.gz SKNCFTCTQGPQGE-TZMCWYRMSA-N 0 0 316.423 0.297 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C[C@@H](O)c1c(F)cccc1F ZINC000249348312 158705568 /nfs/dbraw/zinc/70/55/68/158705568.db2.gz JZAMBWNOBROZDD-BZPMIXESSA-N 0 0 315.316 0.997 10 0 DCAERN Cc1ccc2ncc(C(=O)N(C)CC3(CO)CC3)c(=O)n2c1 ZINC000275896542 158921673 /nfs/dbraw/zinc/92/16/73/158921673.db2.gz RIYACLVKOCCXPO-UHFFFAOYSA-N 0 0 301.346 0.847 10 0 DCAERN C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000327960108 159013137 /nfs/dbraw/zinc/01/31/37/159013137.db2.gz CHSMPORIVYORJG-LDYMZIIASA-N 0 0 307.803 0.903 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328651510 159017923 /nfs/dbraw/zinc/01/79/23/159017923.db2.gz JWIWNNYTBKBBCO-GHMZBOCLSA-N 0 0 302.396 0.779 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673298 159019395 /nfs/dbraw/zinc/01/93/95/159019395.db2.gz OZWGHDIQWQALNF-HOTGVXAUSA-N 0 0 318.421 0.964 10 0 DCAERN CCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000328726090 159025009 /nfs/dbraw/zinc/02/50/09/159025009.db2.gz ZKBVEGAXUPTBGX-JTQLQIEISA-N 0 0 324.410 0.322 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC000328739677 159025717 /nfs/dbraw/zinc/02/57/17/159025717.db2.gz MRRUEZBOKUQCOL-SNVBAGLBSA-N 0 0 318.337 0.129 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCCN3C2=O)C1 ZINC000328886605 159038144 /nfs/dbraw/zinc/03/81/44/159038144.db2.gz OBBBQYZCTHGOMG-MNOVXSKESA-N 0 0 322.365 0.577 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328902133 159038507 /nfs/dbraw/zinc/03/85/07/159038507.db2.gz GGJRYJUPVZUJBT-KFWWJZLASA-N 0 0 323.437 0.709 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328900063 159039171 /nfs/dbraw/zinc/03/91/71/159039171.db2.gz XYBJCTHSNVIPIW-KBPBESRZSA-N 0 0 322.409 0.347 10 0 DCAERN Cc1noc([C@@H]2CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000328950836 159045528 /nfs/dbraw/zinc/04/55/28/159045528.db2.gz CKCBOUFCMTVXJM-VXGBXAGGSA-N 0 0 321.381 0.941 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CCC(=O)CC3)CC2)n1 ZINC000329066680 159058087 /nfs/dbraw/zinc/05/80/87/159058087.db2.gz LMLHIWQABYVUBM-UHFFFAOYSA-N 0 0 318.377 0.893 10 0 DCAERN O=C(N1CCN(c2cccc(Cl)c2)CC1)C1(CO)COC1 ZINC000329114352 159063580 /nfs/dbraw/zinc/06/35/80/159063580.db2.gz SFNDICALAMODHV-UHFFFAOYSA-N 0 0 310.781 0.998 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC2)[nH]1 ZINC000329134207 159065487 /nfs/dbraw/zinc/06/54/87/159065487.db2.gz PZOKAAPPYSGRMB-STQMWFEESA-N 0 0 321.425 0.792 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329192284 159071770 /nfs/dbraw/zinc/07/17/70/159071770.db2.gz QSXAMPYANIGIEB-MNOVXSKESA-N 0 0 304.350 0.884 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCO[C@H](C)C2)cn1 ZINC000329289813 159080692 /nfs/dbraw/zinc/08/06/92/159080692.db2.gz NBBIJYPUOSSVOT-VHDGCEQUSA-N 0 0 323.393 0.854 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1CCc2cncnc2C1 ZINC000329302881 159080880 /nfs/dbraw/zinc/08/08/80/159080880.db2.gz XAHFYNIGNWUGPO-LBPRGKRZSA-N 0 0 312.320 0.327 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CCN2C(=O)CCC2=O)C[C@@]12CCCO2 ZINC000329341773 159083572 /nfs/dbraw/zinc/08/35/72/159083572.db2.gz SGQCWPFEAMMOEK-HOTGVXAUSA-N 0 0 308.378 0.942 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@]2(CCOC2)O1 ZINC000329352442 159084392 /nfs/dbraw/zinc/08/43/92/159084392.db2.gz UOBKPFOIGUXKKQ-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000329377768 159087468 /nfs/dbraw/zinc/08/74/68/159087468.db2.gz MCQMEOGHSOAFKN-UMSGYPCISA-N 0 0 316.423 0.342 10 0 DCAERN C[C@H]1CN(CCc2nnnn2-c2ccccc2)CCS1(=O)=O ZINC000329460895 159094298 /nfs/dbraw/zinc/09/42/98/159094298.db2.gz SEHWLOVVIXQGBI-LBPRGKRZSA-N 0 0 321.406 0.324 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CCC(=O)N3C)CCO2)cn1 ZINC000329529804 159100066 /nfs/dbraw/zinc/10/00/66/159100066.db2.gz VJNPUYNCKLCXLG-CHWSQXEVSA-N 0 0 306.366 0.424 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000329594220 159105920 /nfs/dbraw/zinc/10/59/20/159105920.db2.gz ONFYPUALNVIRKN-AGIUHOORSA-N 0 0 306.428 0.194 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)nc(C)n1 ZINC000329649022 159109041 /nfs/dbraw/zinc/10/90/41/159109041.db2.gz BRNIMTZJHJDXJV-AWEZNQCLSA-N 0 0 304.394 0.888 10 0 DCAERN Cc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)nc(C)n1 ZINC000329691818 159113065 /nfs/dbraw/zinc/11/30/65/159113065.db2.gz WKERQYSQJRAKCJ-UHFFFAOYSA-N 0 0 300.366 0.789 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)COC[C@@H]3CCOC3)CCO2)[nH]1 ZINC000329730008 159115048 /nfs/dbraw/zinc/11/50/48/159115048.db2.gz HUPPBSBSCPIGDI-VXGBXAGGSA-N 0 0 324.381 0.320 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1N1CCOCC1 ZINC000329756588 159117225 /nfs/dbraw/zinc/11/72/25/159117225.db2.gz YSBLOCKXBQEJRB-MCIONIFRSA-N 0 0 309.410 0.034 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@@H]1N1CCOCC1 ZINC000329754191 159117437 /nfs/dbraw/zinc/11/74/37/159117437.db2.gz XDLFWMVQOIHVOU-KFWWJZLASA-N 0 0 323.437 0.424 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 ZINC000329767931 159118706 /nfs/dbraw/zinc/11/87/06/159118706.db2.gz FZPVDGGUPITPBZ-CQSZACIVSA-N 0 0 318.381 0.409 10 0 DCAERN C[C@H](C(=O)Nc1cc([C@H]2CCCOC2)nn1C)N1CCOCC1 ZINC000329863536 159124439 /nfs/dbraw/zinc/12/44/39/159124439.db2.gz RYKXZUUYXJPGJL-OLZOCXBDSA-N 0 0 322.409 0.973 10 0 DCAERN O=C(CN1C(=O)COc2ccccc21)N1CC(O)(C2CC2)C1 ZINC000329905699 159127665 /nfs/dbraw/zinc/12/76/65/159127665.db2.gz JRNUTBRTYCGURN-UHFFFAOYSA-N 0 0 302.330 0.395 10 0 DCAERN CCC1(CC)CN(C(=O)Cn2cccnc2=O)CC[S@]1=O ZINC000329920853 159129687 /nfs/dbraw/zinc/12/96/87/159129687.db2.gz SJISTEYORDXWAX-OAQYLSRUSA-N 0 0 311.407 0.393 10 0 DCAERN CC(C)C(=O)N1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000330033504 159137182 /nfs/dbraw/zinc/13/71/82/159137182.db2.gz VOJSNXWVKZSZAU-HNNXBMFYSA-N 0 0 323.437 0.567 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3ccncc23)C[C@H]1C ZINC000330095066 159141683 /nfs/dbraw/zinc/14/16/83/159141683.db2.gz UUWWHTMFZUJBFD-VXGBXAGGSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C[C@H](CO)O1 ZINC000330106543 159142696 /nfs/dbraw/zinc/14/26/96/159142696.db2.gz LAPBUCLSTSHRHY-PMOUVXMZSA-N 0 0 306.362 0.767 10 0 DCAERN O=C(N1CCO[C@@H](COCC2CC2)C1)[C@@]1(O)CCSC1 ZINC000330176197 159148170 /nfs/dbraw/zinc/14/81/70/159148170.db2.gz JSFPDLFSLMLDEB-TZMCWYRMSA-N 0 0 301.408 0.508 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCN[C@H](c2cccnc2)C1 ZINC000330178647 159148211 /nfs/dbraw/zinc/14/82/11/159148211.db2.gz DVXDZFWVAAWYFH-YHUYYLMFSA-N 0 0 317.389 0.606 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCN[C@@H](c2ccncc2)C1 ZINC000407967758 304422984 /nfs/dbraw/zinc/42/29/84/304422984.db2.gz RGOKWPHVXDZJNU-ZIAGYGMSSA-N 0 0 302.378 0.613 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CN2CCCCC2=O)C1 ZINC000330234288 159152182 /nfs/dbraw/zinc/15/21/82/159152182.db2.gz YHKCLQZIKIFIIY-VXGBXAGGSA-N 0 0 322.365 0.679 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC000330228195 159152584 /nfs/dbraw/zinc/15/25/84/159152584.db2.gz VHFPAPSALLZYAR-VXGBXAGGSA-N 0 0 308.338 0.145 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2c[nH]cn2)C1 ZINC000330270903 159155643 /nfs/dbraw/zinc/15/56/43/159155643.db2.gz VAELXALMHBNQOW-GFCCVEGCSA-N 0 0 314.411 0.141 10 0 DCAERN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000330330515 159160958 /nfs/dbraw/zinc/16/09/58/159160958.db2.gz NJYMHVWSLNXKRO-CHWSQXEVSA-N 0 0 320.393 0.460 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000330341047 159161786 /nfs/dbraw/zinc/16/17/86/159161786.db2.gz YSYJHWPYZPRTHN-RRFJBIMHSA-N 0 0 303.362 0.727 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330361842 159162984 /nfs/dbraw/zinc/16/29/84/159162984.db2.gz YWCOMYYYOJGLGF-XQQFMLRXSA-N 0 0 324.381 0.387 10 0 DCAERN C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)[C@H]2C1 ZINC000332843353 159215226 /nfs/dbraw/zinc/21/52/26/159215226.db2.gz OUQPPLORPIPNMC-DYEKYZERSA-N 0 0 306.410 0.485 10 0 DCAERN O=C(N[C@H]1CCSC1)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000332971189 159218536 /nfs/dbraw/zinc/21/85/36/159218536.db2.gz LQTVOPKSLPEUMF-QWRGUYRKSA-N 0 0 323.422 0.543 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)NC(C)(C)C3=O)C2=O)n(C)n1 ZINC000348955195 159241684 /nfs/dbraw/zinc/24/16/84/159241684.db2.gz PUBGDQPZXHHIGY-SNVBAGLBSA-N 0 0 319.365 0.554 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@H](CO)C2CC2)no1 ZINC000360427567 159269019 /nfs/dbraw/zinc/26/90/19/159269019.db2.gz IOXMOBIIVRLEES-GXSJLCMTSA-N 0 0 312.370 0.985 10 0 DCAERN CC1(C)CN(CC(=O)Nc2nncs2)C[C@@]2(CCOC2)O1 ZINC000366868646 159293752 /nfs/dbraw/zinc/29/37/52/159293752.db2.gz AFEXFOABCCPTJX-CYBMUJFWSA-N 0 0 312.395 0.747 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c2cc(F)ccc21 ZINC000367004460 159303530 /nfs/dbraw/zinc/30/35/30/159303530.db2.gz TZTJGXLFXMVXMQ-MRXNPFEDSA-N 0 0 319.336 0.770 10 0 DCAERN COCCN1CN(C(=O)[C@H]2CCN2Cc2ccccc2)CC1=O ZINC000367026847 159306951 /nfs/dbraw/zinc/30/69/51/159306951.db2.gz OMLSLHLFAFGVTI-OAHLLOKOSA-N 0 0 317.389 0.536 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN[C@H](c3ccncc3)C2)C1 ZINC000367083970 159312658 /nfs/dbraw/zinc/31/26/58/159312658.db2.gz KCMUQPZIXIHBOV-ZFWWWQNUSA-N 0 0 316.405 0.813 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000367158935 159318440 /nfs/dbraw/zinc/31/84/40/159318440.db2.gz KKDJAWQXPLJDQA-GLKRBJQHSA-N 0 0 323.393 0.590 10 0 DCAERN CN1C[C@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CC1=O ZINC000367637689 159348122 /nfs/dbraw/zinc/34/81/22/159348122.db2.gz YVPDZRCQUBLDEN-CYBMUJFWSA-N 0 0 320.393 0.060 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCN(c2ccc(F)cn2)CC1 ZINC000367659477 159349088 /nfs/dbraw/zinc/34/90/88/159349088.db2.gz LSUWXYCISFCANR-CQSZACIVSA-N 0 0 322.384 0.326 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN1CCOCC[C@H]1C)c1ccccc1 ZINC000367668849 159350169 /nfs/dbraw/zinc/35/01/69/159350169.db2.gz YMILCKCXAYFTDJ-CJNGLKHVSA-N 0 0 319.405 0.701 10 0 DCAERN C=Cn1cc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000367954930 159366935 /nfs/dbraw/zinc/36/69/35/159366935.db2.gz FOZLMCQSGMPJJH-UHFFFAOYSA-N 0 0 313.427 0.298 10 0 DCAERN Cc1nccn1CCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000368282124 159384734 /nfs/dbraw/zinc/38/47/34/159384734.db2.gz DQRCIIQODYRAHA-CQSZACIVSA-N 0 0 307.398 0.308 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000368435219 159394665 /nfs/dbraw/zinc/39/46/65/159394665.db2.gz YKCOITKJUHPPNH-GRYCIOLGSA-N 0 0 313.427 0.925 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1cccnc1Cl ZINC000368815996 159419644 /nfs/dbraw/zinc/41/96/44/159419644.db2.gz IGUOVNKBADGZEP-LLVKDONJSA-N 0 0 310.785 0.690 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373809260 159700480 /nfs/dbraw/zinc/70/04/80/159700480.db2.gz IHWVRYRKMXHGJN-NOLJZWGESA-N 0 0 310.394 0.794 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000374197301 159721915 /nfs/dbraw/zinc/72/19/15/159721915.db2.gz GERRCVSXERHJAN-IGHBBLSQSA-N 0 0 322.409 0.306 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000374708375 159747628 /nfs/dbraw/zinc/74/76/28/159747628.db2.gz YQENCVGWWLJICT-STQMWFEESA-N 0 0 316.398 0.759 10 0 DCAERN O=C(CN1CSCC1=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375602732 159804409 /nfs/dbraw/zinc/80/44/09/159804409.db2.gz JMHNFQRLDNPDHJ-SNVBAGLBSA-N 0 0 322.390 0.796 10 0 DCAERN CC(=O)CCCC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000376027774 159834372 /nfs/dbraw/zinc/83/43/72/159834372.db2.gz YWTVJJSVBVYVJQ-GFCCVEGCSA-N 0 0 304.412 0.628 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376344177 159851592 /nfs/dbraw/zinc/85/15/92/159851592.db2.gz ONNVMLAPFYIGTG-CHWSQXEVSA-N 0 0 315.439 0.660 10 0 DCAERN C[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)CCS1(=O)=O ZINC000407951208 159995092 /nfs/dbraw/zinc/99/50/92/159995092.db2.gz JRRFWOYVNUVBLG-SSDOTTSWSA-N 0 0 313.301 0.793 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC(=O)N1C ZINC000407968835 159999185 /nfs/dbraw/zinc/99/91/85/159999185.db2.gz HERISKZLKCWYAG-MISXGVKJSA-N 0 0 306.366 0.187 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000407972160 159999868 /nfs/dbraw/zinc/99/98/68/159999868.db2.gz KUUSOKOLHWXHGT-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN CNS(=O)(=O)CCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000407993306 160005336 /nfs/dbraw/zinc/00/53/36/160005336.db2.gz NWMKOIAPJVKHSZ-RWMBFGLXSA-N 0 0 306.428 0.194 10 0 DCAERN COC(=O)C12CCC(C(=O)N[C@H]3CCCNC3=O)(CC1)CC2 ZINC000407998927 160007011 /nfs/dbraw/zinc/00/70/11/160007011.db2.gz UQYBOSVEINQIFC-SOISORPOSA-N 0 0 308.378 0.895 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000407999795 160007035 /nfs/dbraw/zinc/00/70/35/160007035.db2.gz XJAAOMCSKBPSDE-HTQZYQBOSA-N 0 0 317.333 0.278 10 0 DCAERN CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC000408001801 160007717 /nfs/dbraw/zinc/00/77/17/160007717.db2.gz AXBLROGKUKZYLI-DOMZBBRYSA-N 0 0 311.426 0.206 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408001351 160007856 /nfs/dbraw/zinc/00/78/56/160007856.db2.gz DWXUUFIYXABEMB-MELADBBJSA-N 0 0 312.410 0.491 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)[C@@H](C)CO1 ZINC000408002766 160008212 /nfs/dbraw/zinc/00/82/12/160008212.db2.gz HJTPWIIDDMONQS-YIZRAAEISA-N 0 0 320.333 0.243 10 0 DCAERN Cn1cnc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000408008386 160009628 /nfs/dbraw/zinc/00/96/28/160009628.db2.gz NUOLURMKDPWYPE-LBPRGKRZSA-N 0 0 306.366 0.131 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408012234 160010559 /nfs/dbraw/zinc/01/05/59/160010559.db2.gz DDCFNJNENSLGGW-XCBNKYQSSA-N 0 0 301.368 0.566 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)nc(C)n1 ZINC000408015207 160010977 /nfs/dbraw/zinc/01/09/77/160010977.db2.gz AFSRAZNGGJXWSI-QWRGUYRKSA-N 0 0 314.411 0.537 10 0 DCAERN CC1CCN(S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000408016650 160011752 /nfs/dbraw/zinc/01/17/52/160011752.db2.gz MCCBOKDSINMZBZ-CHWSQXEVSA-N 0 0 322.471 0.711 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@H]21 ZINC000408015858 160012134 /nfs/dbraw/zinc/01/21/34/160012134.db2.gz FVIDIMFNTIMEGM-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000408016083 160012317 /nfs/dbraw/zinc/01/23/17/160012317.db2.gz HULIYWRJIOXHMX-IJLUTSLNSA-N 0 0 308.444 0.463 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000408016470 160012572 /nfs/dbraw/zinc/01/25/72/160012572.db2.gz KODLXONVTCAQST-WCQYABFASA-N 0 0 303.428 0.466 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC000408025244 160014726 /nfs/dbraw/zinc/01/47/26/160014726.db2.gz PNBJGYWWLIOSJG-UHFFFAOYSA-N 0 0 318.443 0.440 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CC(C)(C)O1 ZINC000408026864 160015157 /nfs/dbraw/zinc/01/51/57/160015157.db2.gz JJJYQACDJWOUCG-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)CC2CCOCC2)CC(C)(C)O1 ZINC000408029806 160017096 /nfs/dbraw/zinc/01/70/96/160017096.db2.gz YVVJNBVONKPDAC-ZDUSSCGKSA-N 0 0 321.439 0.869 10 0 DCAERN CC(C)N(C)C(=O)C1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000408033364 160017624 /nfs/dbraw/zinc/01/76/24/160017624.db2.gz LGBHWNBEZFXREV-CQSZACIVSA-N 0 0 311.426 0.422 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)N1CCOCC1)C2 ZINC000408032821 160017833 /nfs/dbraw/zinc/01/78/33/160017833.db2.gz CLVIGKJSYHOVER-GFCCVEGCSA-N 0 0 307.398 0.464 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)C1 ZINC000408048721 160022482 /nfs/dbraw/zinc/02/24/82/160022482.db2.gz OXWAMQUFPXKUPQ-SNVBAGLBSA-N 0 0 303.318 0.938 10 0 DCAERN O=C(c1cncs1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052188 160023344 /nfs/dbraw/zinc/02/33/44/160023344.db2.gz KNVCMWXMHAZLGQ-ZJUUUORDSA-N 0 0 313.354 0.555 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1C(=O)[C@H]1CCCCO1)N1CCOCC1 ZINC000408050793 160023540 /nfs/dbraw/zinc/02/35/40/160023540.db2.gz FXEARJLYQBSOIC-FRRDWIJNSA-N 0 0 314.357 0.353 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000408052341 160023802 /nfs/dbraw/zinc/02/38/02/160023802.db2.gz UEFXDRKQNZPHSD-XJKSGUPXSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@]2(C)CCCC[C@H]2O)C1 ZINC000408055575 160024964 /nfs/dbraw/zinc/02/49/64/160024964.db2.gz YSEGCKIATXQHBT-FVQBIDKESA-N 0 0 312.410 0.417 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)cc12 ZINC000408055933 160025053 /nfs/dbraw/zinc/02/50/53/160025053.db2.gz YNOFHVNFZIPDEO-PRHODGIISA-N 0 0 301.350 0.470 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000408054997 160025152 /nfs/dbraw/zinc/02/51/52/160025152.db2.gz VVWMHUQRGORBME-GOEBONIOSA-N 0 0 322.361 0.553 10 0 DCAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058431 160025792 /nfs/dbraw/zinc/02/57/92/160025792.db2.gz JDOACKAAMNNKMS-BMIGLBTASA-N 0 0 309.366 0.128 10 0 DCAERN COC[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408059413 160025827 /nfs/dbraw/zinc/02/58/27/160025827.db2.gz AZAMLPDDJFSRBX-GHMZBOCLSA-N 0 0 307.416 0.087 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408066410 160027481 /nfs/dbraw/zinc/02/74/81/160027481.db2.gz YAWDTHUKISCVOR-XQQFMLRXSA-N 0 0 305.382 0.685 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408075808 160030335 /nfs/dbraw/zinc/03/03/35/160030335.db2.gz XUJSWTSGGFSOTN-OTTFEQOBSA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H]1CC(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000408076613 160030362 /nfs/dbraw/zinc/03/03/62/160030362.db2.gz LHFFSFOPGPBJTR-CKYFFXLPSA-N 0 0 304.412 0.340 10 0 DCAERN CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CCOCC1 ZINC000408076906 160031009 /nfs/dbraw/zinc/03/10/09/160031009.db2.gz POMGYQADECBIIJ-AVGNSLFASA-N 0 0 311.378 0.576 10 0 DCAERN C[C@H]1CCN(CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1O ZINC000408089922 160033168 /nfs/dbraw/zinc/03/31/68/160033168.db2.gz KTVNCIBDUFPNHB-SMDDNHRTSA-N 0 0 303.362 0.674 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC000408088814 160033387 /nfs/dbraw/zinc/03/33/87/160033387.db2.gz KUCMMXFEFQABIH-VXGBXAGGSA-N 0 0 301.412 0.931 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000408096876 160034932 /nfs/dbraw/zinc/03/49/32/160034932.db2.gz GQMAUFQZJBLCIA-UHFFFAOYSA-N 0 0 313.427 0.818 10 0 DCAERN C[C@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C[C@H]1O ZINC000408096254 160035155 /nfs/dbraw/zinc/03/51/55/160035155.db2.gz YIKGOVVEXABYBH-QWHCGFSZSA-N 0 0 314.451 0.961 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000408099601 160035533 /nfs/dbraw/zinc/03/55/33/160035533.db2.gz XDXXOKCKIIFHPE-ZDUSSCGKSA-N 0 0 321.381 0.033 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(C(N)=O)nc2)C(C)(C)C1 ZINC000408102671 160035664 /nfs/dbraw/zinc/03/56/64/160035664.db2.gz HNIFRJLCGIHCFF-UHFFFAOYSA-N 0 0 304.350 0.263 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)[C@@H]2CCOC2)C1 ZINC000408100583 160035925 /nfs/dbraw/zinc/03/59/25/160035925.db2.gz YQWPAJYNJSKBSG-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000408107577 160037034 /nfs/dbraw/zinc/03/70/34/160037034.db2.gz OSUMDJQDEUDSHK-SECBINFHSA-N 0 0 320.324 0.367 10 0 DCAERN C[C@H]1[C@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1(F)F ZINC000408112080 160038026 /nfs/dbraw/zinc/03/80/26/160038026.db2.gz JWUYYWZTCAHYEZ-PUKRMFSBSA-N 0 0 301.293 0.525 10 0 DCAERN CCc1nnc2ccc(N3CCC(C(=O)N(C)C)CC3)nn21 ZINC000408116091 160039370 /nfs/dbraw/zinc/03/93/70/160039370.db2.gz OEQGYGFFOJOAAA-UHFFFAOYSA-N 0 0 302.382 0.991 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000408131763 160044388 /nfs/dbraw/zinc/04/43/88/160044388.db2.gz IEKIWKVQLUJTNZ-IJLUTSLNSA-N 0 0 303.428 0.418 10 0 DCAERN Cc1oc(C(=O)N2CCC[C@H](C)[C@@H]2CO)cc1S(N)(=O)=O ZINC000408135947 160045042 /nfs/dbraw/zinc/04/50/42/160045042.db2.gz ACLOBYZRCZWGOF-WPRPVWTQSA-N 0 0 316.379 0.468 10 0 DCAERN C[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)[C@@H]1CO ZINC000408136568 160045249 /nfs/dbraw/zinc/04/52/49/160045249.db2.gz FVIULWXFXSPTBR-DGCLKSJQSA-N 0 0 301.346 0.928 10 0 DCAERN Cc1noc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000408137062 160045310 /nfs/dbraw/zinc/04/53/10/160045310.db2.gz CFDIEXPYHBLSEI-LBPRGKRZSA-N 0 0 321.381 0.922 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159869 160050073 /nfs/dbraw/zinc/05/00/73/160050073.db2.gz HCSALPGMJFSADS-MCIONIFRSA-N 0 0 323.437 0.912 10 0 DCAERN CN(C)C(=O)C1CCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000408159327 160050082 /nfs/dbraw/zinc/05/00/82/160050082.db2.gz PFBGTZSLERFFNQ-UHFFFAOYSA-N 0 0 303.410 0.769 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2CS(N)(=O)=O)CCO1 ZINC000408160942 160050178 /nfs/dbraw/zinc/05/01/78/160050178.db2.gz YCQMTRMPWQFULV-SDDRHHMPSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C(=O)N1CCCC[C@@H]1C ZINC000408162843 160050401 /nfs/dbraw/zinc/05/04/01/160050401.db2.gz ZWVQGWVDFAZJRP-VOAKCMCISA-N 0 0 309.410 0.807 10 0 DCAERN CCCN(C(=O)[C@@H]1CC(=O)N[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408164183 160050589 /nfs/dbraw/zinc/05/05/89/160050589.db2.gz HCGCYEMARBHQJB-WOPDTQHZSA-N 0 0 316.423 0.327 10 0 DCAERN O=C(c1cccnc1N1CCOCC1)N1CCn2ccnc2C1 ZINC000408165641 160050908 /nfs/dbraw/zinc/05/09/08/160050908.db2.gz NJGUIOBRAHWJFX-UHFFFAOYSA-N 0 0 313.361 0.771 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000408166268 160051050 /nfs/dbraw/zinc/05/10/50/160051050.db2.gz XNGLZPXARBXDEI-GXTWGEPZSA-N 0 0 318.439 0.732 10 0 DCAERN COC(=O)C1CCN(C(=O)CN2CCOCC3(CC3)C2)CC1 ZINC000408175113 160052611 /nfs/dbraw/zinc/05/26/11/160052611.db2.gz PZKCTYVELFCKCC-UHFFFAOYSA-N 0 0 310.394 0.510 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000408183948 160053955 /nfs/dbraw/zinc/05/39/55/160053955.db2.gz VMMIJDBFKPATCQ-QWHCGFSZSA-N 0 0 302.440 0.895 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCc2cc(F)ccc21 ZINC000408186131 160055136 /nfs/dbraw/zinc/05/51/36/160055136.db2.gz QAMXFUVFBKAYGT-UHFFFAOYSA-N 0 0 300.355 0.996 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408189056 160056264 /nfs/dbraw/zinc/05/62/64/160056264.db2.gz VHBYWGNYXRJWFR-XUXIUFHCSA-N 0 0 324.446 0.917 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC000408192247 160056936 /nfs/dbraw/zinc/05/69/36/160056936.db2.gz KXSMDXUWRBAGTO-FRRDWIJNSA-N 0 0 309.410 0.808 10 0 DCAERN CCc1nc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)co1 ZINC000408195585 160057335 /nfs/dbraw/zinc/05/73/35/160057335.db2.gz RGGBCGYXMKHDAT-GFCCVEGCSA-N 0 0 321.377 0.948 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000408211166 160061071 /nfs/dbraw/zinc/06/10/71/160061071.db2.gz MZQSNAQQULMWCA-JQWIXIFHSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408218629 160062299 /nfs/dbraw/zinc/06/22/99/160062299.db2.gz JCVGOKPHVMALFQ-KBPBESRZSA-N 0 0 316.467 1.000 10 0 DCAERN Cc1nc2c(cnn2C)c(N(C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000408220786 160063072 /nfs/dbraw/zinc/06/30/72/160063072.db2.gz ZOABVHFJWSROEB-JTQLQIEISA-N 0 0 309.395 0.543 10 0 DCAERN Cc1cnc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(O)c1 ZINC000408223367 160063230 /nfs/dbraw/zinc/06/32/30/160063230.db2.gz ISTJBYURFWWRTA-CHWSQXEVSA-N 0 0 305.378 0.888 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408230104 160064462 /nfs/dbraw/zinc/06/44/62/160064462.db2.gz BXTXFMYHSAOWLS-CKYFFXLPSA-N 0 0 315.364 0.699 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408231532 160064558 /nfs/dbraw/zinc/06/45/58/160064558.db2.gz NNLPASZWUABDFM-WCBMZHEXSA-N 0 0 310.366 0.818 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000408242952 160067586 /nfs/dbraw/zinc/06/75/86/160067586.db2.gz ADBANCAJXWVQJT-RWMBFGLXSA-N 0 0 318.439 0.325 10 0 DCAERN Cc1noc(CCNC(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000408243017 160067947 /nfs/dbraw/zinc/06/79/47/160067947.db2.gz BJILRSVKUIWGFW-UHFFFAOYSA-N 0 0 316.383 0.139 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@H](O)C1(C)C ZINC000408246749 160068482 /nfs/dbraw/zinc/06/84/82/160068482.db2.gz LEVRAAMLHFRYIC-NSHDSACASA-N 0 0 304.350 0.962 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cnn(C)c1 ZINC000408253664 160069801 /nfs/dbraw/zinc/06/98/01/160069801.db2.gz IXYYVOPYDXYODL-NHYWBVRUSA-N 0 0 305.382 0.793 10 0 DCAERN CO[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CC[C@@H]1C ZINC000408256859 160070417 /nfs/dbraw/zinc/07/04/17/160070417.db2.gz NFMXEBZCLHFUKO-NWDGAFQWSA-N 0 0 319.427 0.088 10 0 DCAERN CO[C@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(C)C ZINC000408255915 160070720 /nfs/dbraw/zinc/07/07/20/160070720.db2.gz JOTGQYXOHWXRHY-LLVKDONJSA-N 0 0 313.441 0.154 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000408288857 160076706 /nfs/dbraw/zinc/07/67/06/160076706.db2.gz APQKGKXGPJUVJF-SECBINFHSA-N 0 0 302.334 0.630 10 0 DCAERN CC(C)(O)CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408287574 160077126 /nfs/dbraw/zinc/07/71/26/160077126.db2.gz RYFVEUROIMLMLM-LLVKDONJSA-N 0 0 300.424 0.714 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000408290151 160077328 /nfs/dbraw/zinc/07/73/28/160077328.db2.gz NCFHWETXCJZROY-LLVKDONJSA-N 0 0 303.428 0.516 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000408289284 160077848 /nfs/dbraw/zinc/07/78/48/160077848.db2.gz DUCFCHOHMQWUAL-NSHDSACASA-N 0 0 313.427 0.704 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000408293068 160078328 /nfs/dbraw/zinc/07/83/28/160078328.db2.gz WMBTVZNCCQVHEG-STQMWFEESA-N 0 0 317.455 0.952 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000408293894 160078347 /nfs/dbraw/zinc/07/83/47/160078347.db2.gz IYVDUACZMYELLC-GHMZBOCLSA-N 0 0 301.346 0.458 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C[C@@H](C)O1 ZINC000408302144 160079984 /nfs/dbraw/zinc/07/99/84/160079984.db2.gz DVQHVTMFDQBMAU-RDBSUJKOSA-N 0 0 312.410 0.896 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000408304645 160080478 /nfs/dbraw/zinc/08/04/78/160080478.db2.gz BUGQAWYRDUITLB-AOOOYVTPSA-N 0 0 314.338 0.477 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000408319045 160083932 /nfs/dbraw/zinc/08/39/32/160083932.db2.gz FFEFGWCHPOZNPO-VXGBXAGGSA-N 0 0 302.440 0.513 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C1=CCOCC1 ZINC000408317203 160083990 /nfs/dbraw/zinc/08/39/90/160083990.db2.gz FXNFTRNHADZETP-NWDGAFQWSA-N 0 0 302.396 0.310 10 0 DCAERN CC[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@]2(CCOC2)O1 ZINC000408329366 160086209 /nfs/dbraw/zinc/08/62/09/160086209.db2.gz YODBNAVWGYJLNC-NHYWBVRUSA-N 0 0 308.334 0.789 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000408345874 160089024 /nfs/dbraw/zinc/08/90/24/160089024.db2.gz NOJXQYHIMWMXNK-YRGRVCCFSA-N 0 0 310.394 0.302 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000408357375 160091613 /nfs/dbraw/zinc/09/16/13/160091613.db2.gz APUWLPYNZKECOF-HUUCEWRRSA-N 0 0 321.421 0.716 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1O ZINC000408364820 160093412 /nfs/dbraw/zinc/09/34/12/160093412.db2.gz NJFIGAWGXZSHPF-WCBMZHEXSA-N 0 0 309.338 0.540 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@@H](CO)C3)cnc2n1 ZINC000408371610 160094029 /nfs/dbraw/zinc/09/40/29/160094029.db2.gz ZOOHIHCHZVTYIG-SNVBAGLBSA-N 0 0 303.318 0.477 10 0 DCAERN O=C([C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@H](CO)C1)N1CCCC1 ZINC000408373425 160094340 /nfs/dbraw/zinc/09/43/40/160094340.db2.gz LIBGSIKKKHDNSN-RBSFLKMASA-N 0 0 324.421 0.635 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000408385470 160096584 /nfs/dbraw/zinc/09/65/84/160096584.db2.gz KQIHDLZQTRZXJB-ZDUSSCGKSA-N 0 0 302.334 0.495 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408383315 160096981 /nfs/dbraw/zinc/09/69/81/160096981.db2.gz VWJXCNOHKDNVDW-NEPJUHHUSA-N 0 0 322.409 0.450 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H]1CO ZINC000408383158 160097029 /nfs/dbraw/zinc/09/70/29/160097029.db2.gz GVEHWWWYJNKGJU-WPRPVWTQSA-N 0 0 307.803 0.855 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3nccn3C)C2)o1 ZINC000408387677 160097475 /nfs/dbraw/zinc/09/74/75/160097475.db2.gz XRSPJAAMMXKRAL-GFCCVEGCSA-N 0 0 324.406 0.999 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000408393944 160099185 /nfs/dbraw/zinc/09/91/85/160099185.db2.gz LLEGITZBSRWXBX-NSHDSACASA-N 0 0 300.384 0.023 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000408391925 160099275 /nfs/dbraw/zinc/09/92/75/160099275.db2.gz GKIFNRRZEHMIIX-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)C[C@@H](C)O1 ZINC000408407546 160102045 /nfs/dbraw/zinc/10/20/45/160102045.db2.gz QUTVGMLTBSUJKP-XCJKDKRRSA-N 0 0 324.468 0.231 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000408406289 160102056 /nfs/dbraw/zinc/10/20/56/160102056.db2.gz MMGMXRYTPQSINN-NWDGAFQWSA-N 0 0 320.397 0.718 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1N1CCOCC1 ZINC000408417097 160103382 /nfs/dbraw/zinc/10/33/82/160103382.db2.gz XNXZORJDJWZZIG-MNOVXSKESA-N 0 0 307.350 0.171 10 0 DCAERN CC1(C)CCC[C@](O)(CNC(=O)CN2CSCC2=O)C1 ZINC000408415174 160103606 /nfs/dbraw/zinc/10/36/06/160103606.db2.gz IYCBNJRFSKWLFB-CQSZACIVSA-N 0 0 300.424 0.967 10 0 DCAERN Cc1ccn(C)c1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408421544 160104370 /nfs/dbraw/zinc/10/43/70/160104370.db2.gz LKSGOXWMRKMCTH-NWDGAFQWSA-N 0 0 313.423 0.924 10 0 DCAERN CN1CCN(CC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1=O ZINC000408438041 160107599 /nfs/dbraw/zinc/10/75/99/160107599.db2.gz DVSZOGWRCHRCGH-STQMWFEESA-N 0 0 311.426 0.016 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@H]2C)CC1 ZINC000408440018 160108531 /nfs/dbraw/zinc/10/85/31/160108531.db2.gz XPIVWQQYGDDOEA-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN CSCCN(C)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408443958 160109634 /nfs/dbraw/zinc/10/96/34/160109634.db2.gz PYBULHWSYOTEBR-UHFFFAOYSA-N 0 0 309.457 0.415 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2CCc3ccccc3C2=O)C[C@@H]1O ZINC000408448628 160109879 /nfs/dbraw/zinc/10/98/79/160109879.db2.gz YMZJIWFQYNEVDB-DOMZBBRYSA-N 0 0 302.374 0.914 10 0 DCAERN Cc1oc(C(=O)N2CCC([C@@H](C)O)CC2)cc1S(N)(=O)=O ZINC000408446881 160110097 /nfs/dbraw/zinc/11/00/97/160110097.db2.gz RYTUOHPJOMMNOP-MRVPVSSYSA-N 0 0 316.379 0.468 10 0 DCAERN COc1cc(N2CCN(C(=O)C3CC(C)(O)C3)CC2)ncn1 ZINC000408457916 160112769 /nfs/dbraw/zinc/11/27/69/160112769.db2.gz RCQSDELJZZYXLJ-UHFFFAOYSA-N 0 0 306.366 0.295 10 0 DCAERN C[C@H]1NC(=O)N(CCN2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000408464397 160113394 /nfs/dbraw/zinc/11/33/94/160113394.db2.gz GCFMOASQIFRWFZ-LDYMZIIASA-N 0 0 309.288 0.316 10 0 DCAERN COCC1(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000408462421 160113414 /nfs/dbraw/zinc/11/34/14/160113414.db2.gz YVNXGJNSVWNCFZ-WDEREUQCSA-N 0 0 302.396 0.238 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408463467 160113820 /nfs/dbraw/zinc/11/38/20/160113820.db2.gz BWSZCUHBTRMMCY-LLVKDONJSA-N 0 0 301.416 0.925 10 0 DCAERN C[C@H]1CN(C(=O)CN2c3ccccc3CCCC2=O)CC(=O)N1 ZINC000408462308 160113967 /nfs/dbraw/zinc/11/39/67/160113967.db2.gz CXFPHNTXCDTGQH-LBPRGKRZSA-N 0 0 315.373 0.703 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@H]([C@H](C)O)C3)cnc2n1 ZINC000408465216 160114461 /nfs/dbraw/zinc/11/44/61/160114461.db2.gz GVBZWUSQSVJKQX-GWCFXTLKSA-N 0 0 317.345 0.866 10 0 DCAERN COc1ncc(Cl)c(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000408469600 160115159 /nfs/dbraw/zinc/11/51/59/160115159.db2.gz PLDWLQMTMXXKHR-ZETCQYMHSA-N 0 0 306.775 0.267 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408470240 160115519 /nfs/dbraw/zinc/11/55/19/160115519.db2.gz QGFVVINGSGXIBE-WDEREUQCSA-N 0 0 317.415 0.303 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000067622912 286906847 /nfs/dbraw/zinc/90/68/47/286906847.db2.gz UKYZDLJTRIFMDF-CHWSQXEVSA-N 0 0 324.425 0.637 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N(Cc2cccnc2)C2CC2)C1=O ZINC000072747835 286911837 /nfs/dbraw/zinc/91/18/37/286911837.db2.gz PJNOFEZFHDVHBE-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000073921131 286914737 /nfs/dbraw/zinc/91/47/37/286914737.db2.gz XNMDXFGSCBHDNY-LDYMZIIASA-N 0 0 311.304 0.739 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)C1CC1 ZINC000073498465 286912955 /nfs/dbraw/zinc/91/29/55/286912955.db2.gz XQORRHQYAGZNDX-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN COC(=O)c1ccc(CNC(=O)Cn2nnnc2C(C)C)cc1 ZINC000079874535 286925430 /nfs/dbraw/zinc/92/54/30/286925430.db2.gz KSNFSDKLBBGCMA-UHFFFAOYSA-N 0 0 317.349 0.900 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCCOC[C@H]1CCOC1 ZINC000120256458 286951239 /nfs/dbraw/zinc/95/12/39/286951239.db2.gz ZMDWNZQUYVGVPW-LLVKDONJSA-N 0 0 309.366 0.297 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)[C@H](C)CO ZINC000120515618 286951946 /nfs/dbraw/zinc/95/19/46/286951946.db2.gz JGMAYSRRDLZHNL-GHMZBOCLSA-N 0 0 317.411 0.530 10 0 DCAERN CCC[C@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000126180571 286970062 /nfs/dbraw/zinc/97/00/62/286970062.db2.gz GDBXWVBYCAFFRV-NWDGAFQWSA-N 0 0 306.428 0.468 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)C1(C)C ZINC000128473501 286983252 /nfs/dbraw/zinc/98/32/52/286983252.db2.gz XVOUENGNUAQAFX-VHSXEESVSA-N 0 0 307.350 0.274 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132082182 287003509 /nfs/dbraw/zinc/00/35/09/287003509.db2.gz FIZKNJOLNWDFEG-GFCCVEGCSA-N 0 0 308.382 0.590 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000132179150 287004185 /nfs/dbraw/zinc/00/41/85/287004185.db2.gz XVRSQVKNTSGMEV-VXGBXAGGSA-N 0 0 318.439 0.752 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C[C@@H](C(N)=O)O1 ZINC000364876568 296843352 /nfs/dbraw/zinc/84/33/52/296843352.db2.gz BQFXSQRWPMEJIW-JHEVNIALSA-N 0 0 311.382 0.228 10 0 DCAERN O=C(CSC1CCOCC1)N1CCN(C(=O)C2CC2)CC1 ZINC000131425884 287000506 /nfs/dbraw/zinc/00/05/06/287000506.db2.gz NIGJYEUEGFYPSI-UHFFFAOYSA-N 0 0 312.435 0.979 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCC[S@@](C)=O)no2)c1 ZINC000133146051 287009113 /nfs/dbraw/zinc/00/91/13/287009113.db2.gz JNGFTZDJAZTTHN-NRFANRHFSA-N 0 0 310.379 0.726 10 0 DCAERN Cc1sc(=O)n(CC(=O)Nc2ccc(C(N)=O)nc2)c1C ZINC000133414574 287010871 /nfs/dbraw/zinc/01/08/71/287010871.db2.gz DEGKOUQWTRLGJP-UHFFFAOYSA-N 0 0 306.347 0.659 10 0 DCAERN CCc1cnc(CCNC(=O)CCS(=O)(=O)N(C)C)s1 ZINC000137305230 287028252 /nfs/dbraw/zinc/02/82/52/287028252.db2.gz WUFFQUALIQVIQI-UHFFFAOYSA-N 0 0 319.452 0.646 10 0 DCAERN COC[C@@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000150023410 287030497 /nfs/dbraw/zinc/03/04/97/287030497.db2.gz FSEKQRGIYJRHFA-JTQLQIEISA-N 0 0 305.334 0.089 10 0 DCAERN O=C([C@H]1CSCCS1)N1CC[C@H](N2CCOCC2)C1 ZINC000177347441 287054180 /nfs/dbraw/zinc/05/41/80/287054180.db2.gz WSEMXJZDCBIHFW-NWDGAFQWSA-N 0 0 302.465 0.768 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCC(F)(F)CO)cc1 ZINC000186102929 287057597 /nfs/dbraw/zinc/05/75/97/287057597.db2.gz CLRHIZXIUZTAPU-UHFFFAOYSA-N 0 0 302.277 0.169 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(C)c(C)c1 ZINC000186995200 287058271 /nfs/dbraw/zinc/05/82/71/287058271.db2.gz QHUZVBHEYZLVGF-TZMCWYRMSA-N 0 0 304.346 0.770 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccs2)[C@@H](C)CO1 ZINC000245472403 287069883 /nfs/dbraw/zinc/06/98/83/287069883.db2.gz YYOTZBJJEQJMBU-VHSXEESVSA-N 0 0 305.425 0.929 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000245565293 287071014 /nfs/dbraw/zinc/07/10/14/287071014.db2.gz WORHUOUOOINIKI-XQQFMLRXSA-N 0 0 322.471 0.973 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245893151 287074167 /nfs/dbraw/zinc/07/41/67/287074167.db2.gz GXIYXTOMILLBAI-QLFBSQMISA-N 0 0 323.437 0.757 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)C1 ZINC000245907759 287074187 /nfs/dbraw/zinc/07/41/87/287074187.db2.gz UODWAFVXTRSGPG-DTWKUNHWSA-N 0 0 304.334 0.818 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)C[C@@H](C)O1 ZINC000246080650 287076347 /nfs/dbraw/zinc/07/63/47/287076347.db2.gz GRKDJLXGOGAGRV-IJLUTSLNSA-N 0 0 308.444 0.679 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246094623 287076669 /nfs/dbraw/zinc/07/66/69/287076669.db2.gz KRUGCAFLNGHIEP-ZJUUUORDSA-N 0 0 317.411 0.367 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@H](C)COC)CCN1C[C@@H](C)O ZINC000246095608 287076788 /nfs/dbraw/zinc/07/67/88/287076788.db2.gz LEKMNWURIXAYRU-JHJVBQTASA-N 0 0 308.444 0.128 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246203042 287079152 /nfs/dbraw/zinc/07/91/52/287079152.db2.gz OSQGVTAPVPFLTH-NXEZZACHSA-N 0 0 317.411 0.778 10 0 DCAERN COCCN1CCN([C@@H](C(=O)OC)c2cccnc2)C[C@@H]1C ZINC000246516449 287084890 /nfs/dbraw/zinc/08/48/90/287084890.db2.gz ULNVFDURVJYRKE-DZGCQCFKSA-N 0 0 307.394 0.948 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000247284850 287092411 /nfs/dbraw/zinc/09/24/11/287092411.db2.gz DJPCNZSZQALGSX-UTUOFQBUSA-N 0 0 310.398 0.339 10 0 DCAERN CC(C)[C@H](C(=O)NCCCn1ccnn1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248450652 287097185 /nfs/dbraw/zinc/09/71/85/287097185.db2.gz JDECUTOQVUNJFJ-RBSFLKMASA-N 0 0 323.441 0.918 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C)C(=O)OC ZINC000248836912 287101876 /nfs/dbraw/zinc/10/18/76/287101876.db2.gz NVGSAEXNIWEPDW-DKBOKBLXSA-N 0 0 314.426 0.924 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000248916615 287103571 /nfs/dbraw/zinc/10/35/71/287103571.db2.gz JXHIYFAVLSXNNK-DCAQKATOSA-N 0 0 304.412 0.483 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)CCN1CCOC ZINC000249581030 287114757 /nfs/dbraw/zinc/11/47/57/287114757.db2.gz NJCFNGORDKHLJN-QWHCGFSZSA-N 0 0 308.444 0.394 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@H]1C(=O)NCC[C@H]1C)c1ccccc1 ZINC000249589310 287115359 /nfs/dbraw/zinc/11/53/59/287115359.db2.gz OVNMBZDTJHMOKA-DJSGYFEHSA-N 0 0 317.389 0.895 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000249628546 287116855 /nfs/dbraw/zinc/11/68/55/287116855.db2.gz UPMGHUUNPPYBSB-SDDRHHMPSA-N 0 0 312.414 0.505 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000253394842 287121601 /nfs/dbraw/zinc/12/16/01/287121601.db2.gz XLOVAUNMYVJQRU-VXGBXAGGSA-N 0 0 315.395 0.385 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000355996198 287191390 /nfs/dbraw/zinc/19/13/90/287191390.db2.gz XHXDWHQMNCIFCX-MPKXVKKWSA-N 0 0 304.346 0.782 10 0 DCAERN CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804202 287197028 /nfs/dbraw/zinc/19/70/28/287197028.db2.gz GZZKANDILGSBPV-MCIONIFRSA-N 0 0 305.440 0.937 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358311760 287207013 /nfs/dbraw/zinc/20/70/13/287207013.db2.gz RZIIWSCBTCGGMV-QWHCGFSZSA-N 0 0 306.362 0.763 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000358315693 287207170 /nfs/dbraw/zinc/20/71/70/287207170.db2.gz XFZREFFJSFSJIJ-ZIAGYGMSSA-N 0 0 306.362 0.998 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NC[C@@H](CO)C1CC1 ZINC000358606715 287211706 /nfs/dbraw/zinc/21/17/06/287211706.db2.gz PHWSWVLZZQHSML-ZDUSSCGKSA-N 0 0 306.366 0.129 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000368866752 287222965 /nfs/dbraw/zinc/22/29/65/287222965.db2.gz OTKMGJTVKFNUOD-JSGCOSHPSA-N 0 0 320.418 0.680 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)N2CCC2)cc1 ZINC000408061175 287233174 /nfs/dbraw/zinc/23/31/74/287233174.db2.gz IXRSDFGMMMXYOR-UHFFFAOYSA-N 0 0 319.408 0.299 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@H]2CCCN(CCO)C2=O)n1 ZINC000545329204 412306955 /nfs/dbraw/zinc/30/69/55/412306955.db2.gz USFTVUXCPMXWOQ-JTQLQIEISA-N 0 0 324.385 0.138 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(C(C)=O)CC2(C)C)CC(=O)N1 ZINC000408188367 287264996 /nfs/dbraw/zinc/26/49/96/287264996.db2.gz FPZSKVGPOSXPQO-CHWSQXEVSA-N 0 0 309.410 0.761 10 0 DCAERN Cc1nnc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)s1 ZINC000028977411 415179474 /nfs/dbraw/zinc/17/94/74/415179474.db2.gz CUJLKTLXFVNLRG-UHFFFAOYSA-N 0 0 317.330 0.488 10 0 DCAERN Cc1nc(C)c(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000268155691 415169331 /nfs/dbraw/zinc/16/93/31/415169331.db2.gz PQMDYALXMILVJQ-VIFPVBQESA-N 0 0 318.424 0.915 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCNC(=O)c1ccccc1)C(C)C ZINC000031029693 415180916 /nfs/dbraw/zinc/18/09/16/415180916.db2.gz GWLOLJIXVVNUAP-AWEZNQCLSA-N 0 0 305.378 0.693 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(CC)CC(=O)OC ZINC000042528079 415212872 /nfs/dbraw/zinc/21/28/72/415212872.db2.gz TWDDMVQVHUQGMF-NSHDSACASA-N 0 0 320.411 0.212 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000046486863 415258732 /nfs/dbraw/zinc/25/87/32/415258732.db2.gz RMRHEMMLKSXPEU-GFCCVEGCSA-N 0 0 314.430 0.263 10 0 DCAERN CC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303023 415405600 /nfs/dbraw/zinc/40/56/00/415405600.db2.gz HBBPMQAACLUNRA-LLVKDONJSA-N 0 0 301.364 0.451 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cn1 ZINC000276027128 415411365 /nfs/dbraw/zinc/41/13/65/415411365.db2.gz QWMCUSJYOUZQQK-OSAQELSMSA-N 0 0 318.377 0.377 10 0 DCAERN CC(=O)NC[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000067436510 415376807 /nfs/dbraw/zinc/37/68/07/415376807.db2.gz USQSVFQYWBBWPU-TZMCWYRMSA-N 0 0 317.455 0.811 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000332806772 415481235 /nfs/dbraw/zinc/48/12/35/415481235.db2.gz BFPNNNUXEMWSOO-CQROYNQRSA-N 0 0 320.393 0.623 10 0 DCAERN CNS(=O)(=O)CC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000083615099 415488366 /nfs/dbraw/zinc/48/83/66/415488366.db2.gz MKCMKBHMSHDLIC-MRVPVSSYSA-N 0 0 306.334 0.734 10 0 DCAERN CCN(Cc1ccccn1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000084204345 415493804 /nfs/dbraw/zinc/49/38/04/415493804.db2.gz IGUKDFVOJSILJL-UHFFFAOYSA-N 0 0 304.350 0.761 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N[C@H]3CC[S@@](=O)C3)s2)cn1 ZINC000332949253 415510393 /nfs/dbraw/zinc/51/03/93/415510393.db2.gz VPOPDZFBRQIMSL-GWNMQOMSSA-N 0 0 310.404 0.794 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000332948829 415512156 /nfs/dbraw/zinc/51/21/56/415512156.db2.gz ZHGGBVAJEHGYFS-YNEHKIRRSA-N 0 0 320.397 0.146 10 0 DCAERN CCC(C)(CC)NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000087357173 415514367 /nfs/dbraw/zinc/51/43/67/415514367.db2.gz WZTPLHRORZQVAR-SNVBAGLBSA-N 0 0 316.427 0.782 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](C)C(C)C ZINC000088775038 415518311 /nfs/dbraw/zinc/51/83/11/415518311.db2.gz OBEJAAJKWZQEFZ-JTQLQIEISA-N 0 0 300.446 0.137 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](CO)c1ccccc1 ZINC000088405085 415518701 /nfs/dbraw/zinc/51/87/01/415518701.db2.gz JGYODHONMFJLRA-AWEZNQCLSA-N 0 0 313.357 0.704 10 0 DCAERN O=C(CN1CCc2ccc(Cl)cc2C1)N1CCNC(=O)C1 ZINC000090615053 415529758 /nfs/dbraw/zinc/52/97/58/415529758.db2.gz RJXPMJJMOPXQIG-UHFFFAOYSA-N 0 0 307.781 0.657 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(CC)c(F)c2)C1 ZINC000091414377 415536534 /nfs/dbraw/zinc/53/65/34/415536534.db2.gz YOQYYVNAWKLSMA-UHFFFAOYSA-N 0 0 321.352 0.921 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc1 ZINC000092391673 415539769 /nfs/dbraw/zinc/53/97/69/415539769.db2.gz HZIYKHFBDPTITG-CYBMUJFWSA-N 0 0 315.391 0.697 10 0 DCAERN O=S(=O)(N[C@@H](CO)C1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333090280 415552243 /nfs/dbraw/zinc/55/22/43/415552243.db2.gz AUTMZGZHDFYCPS-SAXRGWBVSA-N 0 0 303.424 0.882 10 0 DCAERN O=S(=O)(N[C@H](CO)C1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333090279 415553248 /nfs/dbraw/zinc/55/32/48/415553248.db2.gz AUTMZGZHDFYCPS-CABNGKKXSA-N 0 0 303.424 0.882 10 0 DCAERN COC[C@]1(CO)CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333106876 415557964 /nfs/dbraw/zinc/55/79/64/415557964.db2.gz DFJSXLWISTUELS-XJFOESAGSA-N 0 0 303.424 0.836 10 0 DCAERN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333133327 415567372 /nfs/dbraw/zinc/56/73/72/415567372.db2.gz IYZJOMDMMPTIRV-HUUCEWRRSA-N 0 0 321.421 0.668 10 0 DCAERN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000333133326 415567466 /nfs/dbraw/zinc/56/74/66/415567466.db2.gz IYZJOMDMMPTIRV-GJZGRUSLSA-N 0 0 321.421 0.668 10 0 DCAERN C[C@@H]1CN(CCO)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158579 415573105 /nfs/dbraw/zinc/57/31/05/415573105.db2.gz LNCPBEOMAVMEES-MQYQWHSLSA-N 0 0 302.440 0.503 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838806 415604172 /nfs/dbraw/zinc/60/41/72/415604172.db2.gz ZDOXBXZORXBCMJ-KCPJHIHWSA-N 0 0 304.394 0.446 10 0 DCAERN CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1O ZINC000333319973 415610472 /nfs/dbraw/zinc/61/04/72/415610472.db2.gz WTOWXURXBXTLKD-FRRDWIJNSA-N 0 0 322.409 0.818 10 0 DCAERN COc1ccccc1C[N@H+](CCO)C[C@@H](O)CN1CCOCC1 ZINC000103228583 415613331 /nfs/dbraw/zinc/61/33/31/415613331.db2.gz IBXMVZYAPLRZCK-INIZCTEOSA-N 0 0 324.421 0.183 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000104361791 415623949 /nfs/dbraw/zinc/62/39/49/415623949.db2.gz ATUNLMGVYHXVFF-GXTWGEPZSA-N 0 0 318.373 0.983 10 0 DCAERN CC[C@@H]1CN(c2ccc(C(=O)NC)nn2)C[C@H](C)S1(=O)=O ZINC000286469019 415632382 /nfs/dbraw/zinc/63/23/82/415632382.db2.gz PYRRQXQLRRDCSQ-VHSXEESVSA-N 0 0 312.395 0.238 10 0 DCAERN Cc1nnc(CN2CCN(Cc3nccn3C)CC2)n1C1CC1 ZINC000105930266 415638843 /nfs/dbraw/zinc/63/88/43/415638843.db2.gz VXVBMIVVEGDIHU-UHFFFAOYSA-N 0 0 315.425 0.973 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC(=O)N1C ZINC000282515660 415577926 /nfs/dbraw/zinc/57/79/26/415577926.db2.gz YJVSSKTXHISQOC-JRPNMDOOSA-N 0 0 304.346 0.904 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N1CCOCC13CCC3)CCCC2 ZINC000333511445 415669510 /nfs/dbraw/zinc/66/95/10/415669510.db2.gz FEZINVHCNBZEIJ-UHFFFAOYSA-N 0 0 305.378 0.918 10 0 DCAERN CCCN1C[C@H](CNS(=O)(=O)[C@H]2CCO[C@H]2C)CC1=O ZINC000333512400 415669764 /nfs/dbraw/zinc/66/97/64/415669764.db2.gz JGJYHMUXJCXCPF-SRVKXCTJSA-N 0 0 304.412 0.342 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccccc3)n2)N(C)C1 ZINC000343662795 415675063 /nfs/dbraw/zinc/67/50/63/415675063.db2.gz MMIVQLJISFBJAW-KBPBESRZSA-N 0 0 300.362 1.530 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112670409 415717087 /nfs/dbraw/zinc/71/70/87/415717087.db2.gz PRDPDFOPQRNMTM-UHFFFAOYSA-N 0 0 313.423 0.863 10 0 DCAERN COC(=O)[C@@H](N1CCN(c2cccnn2)CC1)C1(OC)CCC1 ZINC000289963948 415742386 /nfs/dbraw/zinc/74/23/86/415742386.db2.gz IUNATXGEPLPIAQ-CQSZACIVSA-N 0 0 320.393 0.709 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120530096 415775907 /nfs/dbraw/zinc/77/59/07/415775907.db2.gz AERIWXNZKPODNG-JTQLQIEISA-N 0 0 307.325 0.810 10 0 DCAERN O=C(Nc1cc2n(n1)CCCC2)N1CCN(C(=O)C2CC2)C1 ZINC000333853462 415751726 /nfs/dbraw/zinc/75/17/26/415751726.db2.gz OCJFVLYCGGVHMX-UHFFFAOYSA-N 0 0 303.366 1.263 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2)CCS1(=O)=O ZINC000122378590 415832034 /nfs/dbraw/zinc/83/20/34/415832034.db2.gz YIYGVZXWPRLVCU-SECBINFHSA-N 0 0 314.338 0.410 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000120639764 415778664 /nfs/dbraw/zinc/77/86/64/415778664.db2.gz HAJWHKQWAKEXLQ-CYBMUJFWSA-N 0 0 314.407 0.684 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000120654081 415779949 /nfs/dbraw/zinc/77/99/49/415779949.db2.gz DJSHONSCKJCPRY-LBPRGKRZSA-N 0 0 317.267 0.854 10 0 DCAERN Nc1nc(N)nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 ZINC000121108745 415792535 /nfs/dbraw/zinc/79/25/35/415792535.db2.gz CZPOQKGRYVFACW-GZMMTYOYSA-N 0 0 322.319 0.622 10 0 DCAERN COc1c(F)cc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1F ZINC000121165254 415797556 /nfs/dbraw/zinc/79/75/56/415797556.db2.gz PHVSKPWQIJLGKB-SECBINFHSA-N 0 0 314.288 0.895 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 ZINC000121318179 415801741 /nfs/dbraw/zinc/80/17/41/415801741.db2.gz KDUBUVJFASXWQV-MRVPVSSYSA-N 0 0 322.308 0.868 10 0 DCAERN COc1ccccc1NCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121819153 415817826 /nfs/dbraw/zinc/81/78/26/415817826.db2.gz VSYUBKWOVTXRMY-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000126919240 415882605 /nfs/dbraw/zinc/88/26/05/415882605.db2.gz NBNSPZSMIQPOTQ-UHFFFAOYSA-N 0 0 315.373 0.787 10 0 DCAERN CC[C@@H](OC1CCCC1)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128026892 415893898 /nfs/dbraw/zinc/89/38/98/415893898.db2.gz TZWJTROICNDFCF-UKRRQHHQSA-N 0 0 314.426 0.534 10 0 DCAERN O=C(NC1CCCC1)c1ccc(N[C@H]2CCCNC2=O)nn1 ZINC000296190644 415912477 /nfs/dbraw/zinc/91/24/77/415912477.db2.gz DNZQGZJFSZYVLJ-NSHDSACASA-N 0 0 303.366 0.840 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccnn1C ZINC000129734121 415913248 /nfs/dbraw/zinc/91/32/48/415913248.db2.gz UTWRDZJEEXLCQZ-MRVPVSSYSA-N 0 0 307.383 0.539 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000130474980 415918574 /nfs/dbraw/zinc/91/85/74/415918574.db2.gz BWNKVSUQYHMPRL-NWDGAFQWSA-N 0 0 308.378 0.787 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2cncc(F)c2)cc1 ZINC000124808305 415853462 /nfs/dbraw/zinc/85/34/62/415853462.db2.gz ZBNLRHUURSOULW-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN Cc1cccc(F)c1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000133609199 415948380 /nfs/dbraw/zinc/94/83/80/415948380.db2.gz ASBSVGXEIFYYON-LBPRGKRZSA-N 0 0 311.357 0.949 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](O)C(C)C ZINC000134217593 415956219 /nfs/dbraw/zinc/95/62/19/415956219.db2.gz AGQCSLJILYMKHZ-LBPRGKRZSA-N 0 0 320.397 0.389 10 0 DCAERN C[C@]1(O)CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000152575115 415968524 /nfs/dbraw/zinc/96/85/24/415968524.db2.gz GQWBNBLHRUAFAN-INIZCTEOSA-N 0 0 301.346 0.770 10 0 DCAERN Cn1c2cc(C(=O)N[C@H]3CCC(=O)N(C)C3)ccc2[nH]c1=O ZINC000153557752 415981865 /nfs/dbraw/zinc/98/18/65/415981865.db2.gz JBXVHNOPSUCZDJ-JTQLQIEISA-N 0 0 302.334 0.217 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCCCNc1ccccn1 ZINC000153540210 415982781 /nfs/dbraw/zinc/98/27/81/415982781.db2.gz VIZKWEGBCZUGBP-UHFFFAOYSA-N 0 0 313.361 0.825 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000153487808 415982816 /nfs/dbraw/zinc/98/28/16/415982816.db2.gz MDSFVOJXRJDXBD-UHFFFAOYSA-N 0 0 316.365 0.494 10 0 DCAERN O=C(c1cc[nH]c(=O)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000153639766 415986860 /nfs/dbraw/zinc/98/68/60/415986860.db2.gz FFLANEMTYGSHEB-AWEZNQCLSA-N 0 0 305.378 0.702 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158716245 416001974 /nfs/dbraw/zinc/00/19/74/416001974.db2.gz KDCLPYWVRQWTPI-CQSZACIVSA-N 0 0 324.377 0.983 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000154982920 415992790 /nfs/dbraw/zinc/99/27/90/415992790.db2.gz GZJOCDHAFVCBTI-JTQLQIEISA-N 0 0 316.365 0.023 10 0 DCAERN CN1CCN(C(=O)Cn2cc(NC(=O)C3(C)CC3)cn2)CC1 ZINC000155186417 415994827 /nfs/dbraw/zinc/99/48/27/415994827.db2.gz CMJWAMCYVDPMLE-UHFFFAOYSA-N 0 0 305.382 0.396 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cc3nc(N)nc(N(C)C)n3)[C@H]2C1 ZINC000158476438 415999112 /nfs/dbraw/zinc/99/91/12/415999112.db2.gz VYEVSGMPGNEPAX-GRYCIOLGSA-N 0 0 322.413 0.288 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000132828952 415936066 /nfs/dbraw/zinc/93/60/66/415936066.db2.gz BXTFDUABDKRMNH-SMDDNHRTSA-N 0 0 300.424 0.762 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000299004654 416044710 /nfs/dbraw/zinc/04/47/10/416044710.db2.gz QPRAUQLMCUQSGW-NSHDSACASA-N 0 0 318.782 0.438 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000357209765 416045502 /nfs/dbraw/zinc/04/55/02/416045502.db2.gz YPGZUOGZBJEWIU-AAEUAGOBSA-N 0 0 304.412 0.438 10 0 DCAERN CCNS(=O)(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000172452569 416045681 /nfs/dbraw/zinc/04/56/81/416045681.db2.gz MBTYIIAKSVIORZ-LLVKDONJSA-N 0 0 305.444 0.713 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000172612012 416047385 /nfs/dbraw/zinc/04/73/85/416047385.db2.gz IQOPAOKGFJPDIJ-VXGBXAGGSA-N 0 0 324.402 0.944 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000172612009 416047628 /nfs/dbraw/zinc/04/76/28/416047628.db2.gz IQOPAOKGFJPDIJ-RYUDHWBXSA-N 0 0 324.402 0.944 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCc1nccn1C(F)F ZINC000357241802 416051006 /nfs/dbraw/zinc/05/10/06/416051006.db2.gz AAADZLSAHBIBBF-DTWKUNHWSA-N 0 0 316.308 0.124 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O ZINC000172973473 416051323 /nfs/dbraw/zinc/05/13/23/416051323.db2.gz SSYKSHTXDDSVIJ-LBPRGKRZSA-N 0 0 314.407 0.599 10 0 DCAERN Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)nn1C(C)(C)C ZINC000173085729 416053126 /nfs/dbraw/zinc/05/31/26/416053126.db2.gz NICZXUFSJWQJJV-UHFFFAOYSA-N 0 0 319.365 0.596 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000173129654 416054168 /nfs/dbraw/zinc/05/41/68/416054168.db2.gz QEQSCVAORBLLFC-MFKMUULPSA-N 0 0 303.362 0.772 10 0 DCAERN Cn1c(CNC(=O)C(C)(C)N2CCOCC2)nnc1C1CCC1 ZINC000338183107 416055719 /nfs/dbraw/zinc/05/57/19/416055719.db2.gz XITKXJONXQZVSR-UHFFFAOYSA-N 0 0 321.425 0.810 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000173245557 416055856 /nfs/dbraw/zinc/05/58/56/416055856.db2.gz CPKWYVPPJWZQTD-ZWNOBZJWSA-N 0 0 321.425 0.888 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCC4(C3)OCCO4)C2=O)n(C)n1 ZINC000173327441 416056716 /nfs/dbraw/zinc/05/67/16/416056716.db2.gz LNXIVILXJFNJLP-LBPRGKRZSA-N 0 0 306.366 0.283 10 0 DCAERN Cc1noc(CCC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000173601270 416062333 /nfs/dbraw/zinc/06/23/33/416062333.db2.gz FOVCTLXHILUMMY-JTQLQIEISA-N 0 0 306.326 0.337 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N(C)CC(F)(F)F)CCO2)[nH]1 ZINC000173659363 416062374 /nfs/dbraw/zinc/06/23/74/416062374.db2.gz JFNSMQLOXRYINM-SECBINFHSA-N 0 0 321.303 0.507 10 0 DCAERN O=C(NCCCOCC1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173791109 416066441 /nfs/dbraw/zinc/06/64/41/416066441.db2.gz WFKYQOVCLNHWRI-HNNXBMFYSA-N 0 0 311.426 0.919 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000173865699 416067934 /nfs/dbraw/zinc/06/79/34/416067934.db2.gz HRUFOPHFVLEQHX-DGCLKSJQSA-N 0 0 321.352 0.602 10 0 DCAERN CCCc1cc(N2CC[C@@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000173976740 416070190 /nfs/dbraw/zinc/07/01/90/416070190.db2.gz DNKIKXOJJYWLPT-CQSZACIVSA-N 0 0 316.409 0.988 10 0 DCAERN Cc1noc(CCC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000173965041 416070451 /nfs/dbraw/zinc/07/04/51/416070451.db2.gz ZBDKDRKBVVPNEJ-YPMHNXCESA-N 0 0 308.382 0.490 10 0 DCAERN CCNC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173969030 416070951 /nfs/dbraw/zinc/07/09/51/416070951.db2.gz XDWDVZCJSIRYGU-KGLIPLIRSA-N 0 0 311.426 0.472 10 0 DCAERN Cc1cc(N2CC[C@@H](NC(=O)Nc3nncs3)C2=O)n(C)n1 ZINC000174130127 416074364 /nfs/dbraw/zinc/07/43/64/416074364.db2.gz NRTUWEUHFVMPPA-MRVPVSSYSA-N 0 0 321.366 0.507 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000174272806 416076190 /nfs/dbraw/zinc/07/61/90/416076190.db2.gz VGSJEJWXWYINTN-UHFFFAOYSA-N 0 0 317.397 0.932 10 0 DCAERN Cc1noc(CCNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)n1 ZINC000174384809 416077493 /nfs/dbraw/zinc/07/74/93/416077493.db2.gz ZQZIQJZEQMBXPU-UHFFFAOYSA-N 0 0 320.353 0.557 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1OC ZINC000158816036 416002636 /nfs/dbraw/zinc/00/26/36/416002636.db2.gz CYWYECKMZVSMRV-ZJUUUORDSA-N 0 0 303.380 0.999 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1C(N)=O ZINC000158860263 416002797 /nfs/dbraw/zinc/00/27/97/416002797.db2.gz CKWLPQCTSZWIEL-LBPRGKRZSA-N 0 0 300.380 0.389 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000158782044 416003445 /nfs/dbraw/zinc/00/34/45/416003445.db2.gz XTJJUHUIEHOZKW-GHMZBOCLSA-N 0 0 315.391 0.910 10 0 DCAERN CC[C@H]1NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000356932308 416007443 /nfs/dbraw/zinc/00/74/43/416007443.db2.gz ZUAWAOZYXIAAEO-SECBINFHSA-N 0 0 305.290 0.684 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000356939980 416008626 /nfs/dbraw/zinc/00/86/26/416008626.db2.gz SQMGMJFAGPGVRY-HIFRSBDPSA-N 0 0 319.361 0.506 10 0 DCAERN COCCOCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164404319 416017443 /nfs/dbraw/zinc/01/74/43/416017443.db2.gz DGBLKLGCPNNMLN-HIFRSBDPSA-N 0 0 300.399 0.986 10 0 DCAERN COCCCCCNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000356998213 416017649 /nfs/dbraw/zinc/01/76/49/416017649.db2.gz ALIKDXNCNLXWAC-GFCCVEGCSA-N 0 0 318.439 0.246 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@]1(CO)CC(C)C ZINC000357018574 416022070 /nfs/dbraw/zinc/02/20/70/416022070.db2.gz YBRPYEQIERNQKY-IIAWOOMASA-N 0 0 312.410 0.368 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000170743616 416030626 /nfs/dbraw/zinc/03/06/26/416030626.db2.gz MYSFTOACZLTYKA-NSHDSACASA-N 0 0 317.345 0.741 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000298818824 416032099 /nfs/dbraw/zinc/03/20/99/416032099.db2.gz ZKPOTLUACHIIOJ-ZDUSSCGKSA-N 0 0 300.322 0.612 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnns3)C2=O)n(C)n1 ZINC000175004229 416094215 /nfs/dbraw/zinc/09/42/15/416094215.db2.gz VQWVSWYAMDOKJO-VIFPVBQESA-N 0 0 320.378 0.505 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175118034 416097919 /nfs/dbraw/zinc/09/79/19/416097919.db2.gz KDMXTKMZQFWYNC-LBPRGKRZSA-N 0 0 301.412 0.964 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)CCO)C2=O)n(C)n1 ZINC000175149443 416098121 /nfs/dbraw/zinc/09/81/21/416098121.db2.gz RVWSJVSRADRLCZ-ZYHUDNBSSA-N 0 0 323.397 0.294 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)cc1F ZINC000313665427 416109442 /nfs/dbraw/zinc/10/94/42/416109442.db2.gz PBCBDIJOIYPJCC-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000314063125 416109972 /nfs/dbraw/zinc/10/99/72/416109972.db2.gz VSNRIVMSMVNZNS-ZDUSSCGKSA-N 0 0 312.395 0.288 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c2cnn(C)c2n1 ZINC000175637775 416110289 /nfs/dbraw/zinc/11/02/89/416110289.db2.gz SLLLMROHKQERLT-JTQLQIEISA-N 0 0 311.349 0.613 10 0 DCAERN CC1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000175692810 416113173 /nfs/dbraw/zinc/11/31/73/416113173.db2.gz WPKBHXHBZVWFHQ-UHFFFAOYSA-N 0 0 318.420 0.803 10 0 DCAERN Cc1cnn(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000175793069 416114311 /nfs/dbraw/zinc/11/43/11/416114311.db2.gz XJHDSDRCNBDFBR-HUUCEWRRSA-N 0 0 321.425 0.554 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)no1 ZINC000175816326 416115209 /nfs/dbraw/zinc/11/52/09/416115209.db2.gz WGKSQUAGXALAJG-JQWIXIFHSA-N 0 0 309.370 0.240 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675877 416115296 /nfs/dbraw/zinc/11/52/96/416115296.db2.gz OKTINJIXARWGIA-CZUORRHYSA-N 0 0 312.410 0.504 10 0 DCAERN C[C@@H](NC(=O)NCCC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000178090604 416156312 /nfs/dbraw/zinc/15/63/12/416156312.db2.gz BKQRWXADIXZXPI-SNVBAGLBSA-N 0 0 302.338 0.503 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@H](C)C[C@H](C)O)cc1 ZINC000176135490 416120102 /nfs/dbraw/zinc/12/01/02/416120102.db2.gz CXFBCYYRQLNKPH-NEPJUHHUSA-N 0 0 308.378 0.948 10 0 DCAERN C(CNc1nnc(C2CCOCC2)s1)CN1CCOCC1 ZINC000338633926 416120936 /nfs/dbraw/zinc/12/09/36/416120936.db2.gz YWIROOUSQBZXAJ-UHFFFAOYSA-N 0 0 312.439 1.566 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)C2=NN(C)C(=O)CC2)cnn1C ZINC000328612398 416123540 /nfs/dbraw/zinc/12/35/40/416123540.db2.gz ORRXIEKEEYFBEF-SMDDNHRTSA-N 0 0 319.365 0.283 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3CCCn4ccnc43)CCO2)[nH]1 ZINC000176473322 416125801 /nfs/dbraw/zinc/12/58/01/416125801.db2.gz HTGJDPPXBKIUFX-NWDGAFQWSA-N 0 0 316.365 0.787 10 0 DCAERN COCCCOC1CN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000176498420 416127818 /nfs/dbraw/zinc/12/78/18/416127818.db2.gz NYTWBTLQUZFDBL-UHFFFAOYSA-N 0 0 319.361 0.594 10 0 DCAERN COCCCOC1CN(C(=O)c2cnn3ccc(C)nc23)C1 ZINC000176510296 416128648 /nfs/dbraw/zinc/12/86/48/416128648.db2.gz UYBYQLZJUBJRRE-UHFFFAOYSA-N 0 0 304.350 0.915 10 0 DCAERN OC[C@H](CNc1cc(NC[C@@H](CO)C2CC2)ncn1)C1CC1 ZINC000357774144 416130237 /nfs/dbraw/zinc/13/02/37/416130237.db2.gz JSBPRZRDJAIAFW-KBPBESRZSA-N 0 0 306.410 1.337 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C1CC(=O)NC(=O)C1 ZINC000176710798 416133616 /nfs/dbraw/zinc/13/36/16/416133616.db2.gz SCACTOCSFKBIIZ-SNVBAGLBSA-N 0 0 319.365 0.405 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000176776243 416135249 /nfs/dbraw/zinc/13/52/49/416135249.db2.gz PPHMDXIFEISCCH-VIFPVBQESA-N 0 0 317.411 0.308 10 0 DCAERN CC1(C)CN(C(=O)CN2CCCCCC2=O)CCS1(=O)=O ZINC000177162520 416143013 /nfs/dbraw/zinc/14/30/13/416143013.db2.gz SPOILYVLQAGXDX-UHFFFAOYSA-N 0 0 316.423 0.425 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)Cc1cccc(OC)c1 ZINC000177554904 416148739 /nfs/dbraw/zinc/14/87/39/416148739.db2.gz LSMQRGMZHGJSTP-NSHDSACASA-N 0 0 314.407 0.839 10 0 DCAERN O=S(=O)(Cc1ncc(-c2cccc(F)c2)o1)C[C@@H](O)CO ZINC000177670184 416149316 /nfs/dbraw/zinc/14/93/16/416149316.db2.gz RSWUWLWFKNLOMQ-NSHDSACASA-N 0 0 315.322 0.749 10 0 DCAERN O=C([C@@H]1CCCCO1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000329093536 416150249 /nfs/dbraw/zinc/15/02/49/416150249.db2.gz KFCPZYUGQTVQIU-OLZOCXBDSA-N 0 0 315.377 1.311 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC(C)(O)CC2)cc1 ZINC000177777766 416152010 /nfs/dbraw/zinc/15/20/10/416152010.db2.gz PGUCRVHQXFKXHY-UHFFFAOYSA-N 0 0 306.362 0.798 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@H]3CCCOC3)CCO2)[nH]1 ZINC000177978657 416154360 /nfs/dbraw/zinc/15/43/60/416154360.db2.gz CJAHLKHYPHATGE-NWDGAFQWSA-N 0 0 323.397 0.877 10 0 DCAERN CC(C)C[C@@H](CO)NC(=O)NCc1cccnc1-n1cncn1 ZINC000177928761 416154967 /nfs/dbraw/zinc/15/49/67/416154967.db2.gz JXDJIFOUQAPZHU-ZDUSSCGKSA-N 0 0 318.381 0.869 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000178540541 416166423 /nfs/dbraw/zinc/16/64/23/416166423.db2.gz SISNNSYUZWPWBG-UHFFFAOYSA-N 0 0 318.377 0.254 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2ccc3cc[nH]c3n2)CCC1=O ZINC000357988772 416168858 /nfs/dbraw/zinc/16/88/58/416168858.db2.gz MOUVJCOLSYWLDN-LBPRGKRZSA-N 0 0 301.350 0.983 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000178680658 416169085 /nfs/dbraw/zinc/16/90/85/416169085.db2.gz JKBFEYDJKNMLBP-SMDDNHRTSA-N 0 0 321.377 0.515 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178957439 416179517 /nfs/dbraw/zinc/17/95/17/416179517.db2.gz UYESAKXADFSENR-OAHLLOKOSA-N 0 0 316.405 0.358 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2CN3CCN2CC3)c1C ZINC000178970837 416179864 /nfs/dbraw/zinc/17/98/64/416179864.db2.gz QKDMUDZSHKCLFF-GFCCVEGCSA-N 0 0 320.393 0.148 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)N[C@@H]3CCOC3)CC2)no1 ZINC000179163509 416182787 /nfs/dbraw/zinc/18/27/87/416182787.db2.gz XVSLRAOOXCPKBL-GFCCVEGCSA-N 0 0 309.370 0.384 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000179686932 416192432 /nfs/dbraw/zinc/19/24/32/416192432.db2.gz NRHXYPDSHRNVIN-CQSZACIVSA-N 0 0 324.402 0.440 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(=O)Nc3ccsc3)CCO2)[nH]1 ZINC000180227249 416194020 /nfs/dbraw/zinc/19/40/20/416194020.db2.gz YKEXWBIUENBWLW-SNVBAGLBSA-N 0 0 321.362 0.713 10 0 DCAERN COCCCOCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180167855 416194201 /nfs/dbraw/zinc/19/42/01/416194201.db2.gz FHMHORVOBDVKGP-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000180211141 416194482 /nfs/dbraw/zinc/19/44/82/416194482.db2.gz UWELDQDYORVCLT-SNVBAGLBSA-N 0 0 318.358 0.531 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000180274011 416195939 /nfs/dbraw/zinc/19/59/39/416195939.db2.gz RABQRSOEBCEXGA-LLYBFZRZSA-N 0 0 311.341 0.961 10 0 DCAERN Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)c1 ZINC000180482255 416197110 /nfs/dbraw/zinc/19/71/10/416197110.db2.gz RTHMMEDFONLPAQ-OAHLLOKOSA-N 0 0 305.426 0.602 10 0 DCAERN NC(=O)c1ccc(CNC(=O)NCCc2ccccc2O)cn1 ZINC000358166866 416205839 /nfs/dbraw/zinc/20/58/39/416205839.db2.gz YAHXETOVSAQSRH-UHFFFAOYSA-N 0 0 314.345 0.928 10 0 DCAERN CN(C(=O)Cc1ccn(C)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000181488746 416208358 /nfs/dbraw/zinc/20/83/58/416208358.db2.gz OXEINSCFGPTGNP-AWEZNQCLSA-N 0 0 314.393 0.880 10 0 DCAERN CCc1nnc(CN2CCC(c3ccnn3CCO)CC2)[nH]1 ZINC000181670919 416209236 /nfs/dbraw/zinc/20/92/36/416209236.db2.gz YPRXYHJYYBNITM-UHFFFAOYSA-N 0 0 304.398 0.936 10 0 DCAERN Cn1cc([C@@H]2CCN(CC(=O)NCC(=O)OC(C)(C)C)C2)cn1 ZINC000181890593 416211148 /nfs/dbraw/zinc/21/11/48/416211148.db2.gz WJXSRLXCTAVONM-GFCCVEGCSA-N 0 0 322.409 0.667 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000181841935 416212263 /nfs/dbraw/zinc/21/22/63/416212263.db2.gz OBMQMZWISQDBES-BFHYXJOUSA-N 0 0 321.425 0.801 10 0 DCAERN CC1(C)CN(C(=O)C(=O)NCC(F)F)C[C@@]2(CCOC2)O1 ZINC000358232820 416214895 /nfs/dbraw/zinc/21/48/95/416214895.db2.gz ALPIVOYWXCHKER-CYBMUJFWSA-N 0 0 306.309 0.164 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H](C)C2 ZINC000182194332 416216253 /nfs/dbraw/zinc/21/62/53/416216253.db2.gz FYTCMUFIXYHXRX-ZUZCIYMTSA-N 0 0 313.361 0.735 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182327981 416218760 /nfs/dbraw/zinc/21/87/60/416218760.db2.gz GGNAAHZPJBBPFM-UHFFFAOYSA-N 0 0 313.301 0.610 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000358280406 416220376 /nfs/dbraw/zinc/22/03/76/416220376.db2.gz YCQDCWMGJATEJE-OAHLLOKOSA-N 0 0 321.377 0.612 10 0 DCAERN C[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182535077 416224254 /nfs/dbraw/zinc/22/42/54/416224254.db2.gz SILYCESWAALVRT-WCQYABFASA-N 0 0 306.366 0.647 10 0 DCAERN CC(C)(O)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182534480 416224676 /nfs/dbraw/zinc/22/46/76/416224676.db2.gz NRFLCEFJJILIQK-GFCCVEGCSA-N 0 0 306.366 0.647 10 0 DCAERN CCc1cnccc1C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000182559942 416225878 /nfs/dbraw/zinc/22/58/78/416225878.db2.gz USYILUZGWLAROI-BZNIZROVSA-N 0 0 316.361 0.752 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000182549263 416225978 /nfs/dbraw/zinc/22/59/78/416225978.db2.gz CICFPBCWWREVFT-WCQYABFASA-N 0 0 306.362 0.836 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)NC[C@H](CO)C1CC1 ZINC000358365155 416229988 /nfs/dbraw/zinc/22/99/88/416229988.db2.gz ZKLYMVCRZLHICS-NEPJUHHUSA-N 0 0 302.440 0.769 10 0 DCAERN NC(=O)CN1CCN(C(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000178158832 416157952 /nfs/dbraw/zinc/15/79/52/416157952.db2.gz ZYINPNVYUKOBEX-UHFFFAOYSA-N 0 0 311.769 0.218 10 0 DCAERN CCN1C(=S)N=NC1CCNC(=O)Nc1ccc(=O)n(C)c1 ZINC000178329548 416160948 /nfs/dbraw/zinc/16/09/48/416160948.db2.gz CZUKMPNSBOYFJU-UHFFFAOYSA-N 0 0 322.394 0.650 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 ZINC000178518770 416163837 /nfs/dbraw/zinc/16/38/37/416163837.db2.gz UHYZQQLMKUUIHI-STQMWFEESA-N 0 0 312.410 0.945 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@H](NC(C)=O)C2)s1 ZINC000190361451 416277829 /nfs/dbraw/zinc/27/78/29/416277829.db2.gz CPAQVQMQXIFVRJ-JTQLQIEISA-N 0 0 324.406 0.771 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000183568600 416247062 /nfs/dbraw/zinc/24/70/62/416247062.db2.gz ARDRPILHFPGSGG-GHMZBOCLSA-N 0 0 304.346 0.990 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000190335047 416277925 /nfs/dbraw/zinc/27/79/25/416277925.db2.gz LNUCNRITAHDUIB-QWRGUYRKSA-N 0 0 312.414 0.353 10 0 DCAERN CC1CC[NH+](CCNC(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000184406703 416252972 /nfs/dbraw/zinc/25/29/72/416252972.db2.gz YZUNUVYECBGROF-MRXNPFEDSA-N 0 0 311.426 0.919 10 0 DCAERN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186932459 416258147 /nfs/dbraw/zinc/25/81/47/416258147.db2.gz XQGLUIHAFUWWEK-LSDHHAIUSA-N 0 0 322.324 0.706 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@]12CCOC2=O ZINC000187189327 416259867 /nfs/dbraw/zinc/25/98/67/416259867.db2.gz MAPSWNIEBOOSRR-QMTHXVAHSA-N 0 0 305.338 0.084 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(CCO)CC2)C1 ZINC000190013352 416273754 /nfs/dbraw/zinc/27/37/54/416273754.db2.gz RENLSFNLIZSFSY-AWEZNQCLSA-N 0 0 313.442 0.805 10 0 DCAERN CC1CC[NH+](CCNC(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000190209974 416275920 /nfs/dbraw/zinc/27/59/20/416275920.db2.gz MIGLGMCGRFKZKV-UHFFFAOYSA-N 0 0 308.382 0.910 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCC(=O)NC2CC2)[C@H](C)C1 ZINC000358807273 416277137 /nfs/dbraw/zinc/27/71/37/416277137.db2.gz PUPIGAQCXWASIW-LLVKDONJSA-N 0 0 310.398 0.307 10 0 DCAERN CCC[C@@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCOCC2)CCO1 ZINC000183202150 416238291 /nfs/dbraw/zinc/23/82/91/416238291.db2.gz LGPGQDHOVPOUSB-SOUVJXGZSA-N 0 0 314.426 0.391 10 0 DCAERN OCC1CN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC000192180353 416300779 /nfs/dbraw/zinc/30/07/79/416300779.db2.gz BHBQLOXBCNCPFN-UHFFFAOYSA-N 0 0 300.362 0.895 10 0 DCAERN CC[C@@H](NC(=O)c1cc(Br)nn1C)C(=O)OC ZINC000192157374 416302085 /nfs/dbraw/zinc/30/20/85/416302085.db2.gz IXMSTEJOWRVVPQ-ZCFIWIBFSA-N 0 0 304.144 0.864 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000192550071 416308335 /nfs/dbraw/zinc/30/83/35/416308335.db2.gz HJMKFZZUPNULDD-DGCLKSJQSA-N 0 0 318.439 0.495 10 0 DCAERN CNC(=O)[C@H](NCCS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000192735094 416309750 /nfs/dbraw/zinc/30/97/50/416309750.db2.gz ZARLALLJLYMVHM-CYBMUJFWSA-N 0 0 316.398 0.960 10 0 DCAERN CC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000359256113 416316015 /nfs/dbraw/zinc/31/60/15/416316015.db2.gz WQJYDSFZCIEXGJ-BXUZGUMPSA-N 0 0 314.407 0.631 10 0 DCAERN CCCCOC[C@H](O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000193367644 416316510 /nfs/dbraw/zinc/31/65/10/416316510.db2.gz OPWDCTCWVMCPIT-OAHLLOKOSA-N 0 0 313.442 0.060 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000193811157 416320159 /nfs/dbraw/zinc/32/01/59/416320159.db2.gz FWJKHJMDCLAEHD-JQWIXIFHSA-N 0 0 308.382 0.899 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)s1 ZINC000190531995 416278999 /nfs/dbraw/zinc/27/89/99/416278999.db2.gz AZYPRRRNNGRACG-VIFPVBQESA-N 0 0 324.406 0.771 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000190437491 416280220 /nfs/dbraw/zinc/28/02/20/416280220.db2.gz PURHVPZEKNTQPU-YPMHNXCESA-N 0 0 318.439 0.684 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CCO2)cn1 ZINC000191750082 416288928 /nfs/dbraw/zinc/28/89/28/416288928.db2.gz KHCXAYOUDYCPIZ-KBPBESRZSA-N 0 0 308.382 0.134 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cnn(C)c2)C1 ZINC000191983572 416294036 /nfs/dbraw/zinc/29/40/36/416294036.db2.gz XFTCBWOXXQKQJO-CYBMUJFWSA-N 0 0 310.398 0.272 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@@H]2C[C@@H]2C)n1 ZINC000192009820 416294526 /nfs/dbraw/zinc/29/45/26/416294526.db2.gz WMDFKPCXUBRACD-GZMMTYOYSA-N 0 0 314.349 0.742 10 0 DCAERN COCCOc1ccc(CC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000191999045 416295560 /nfs/dbraw/zinc/29/55/60/416295560.db2.gz OYQARACXLCOOPV-INIZCTEOSA-N 0 0 322.405 0.701 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCC(F)(F)CO ZINC000192073611 416298293 /nfs/dbraw/zinc/29/82/93/416298293.db2.gz BWWTTWHDWHXSSW-MRVPVSSYSA-N 0 0 316.308 0.536 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247125139 416332552 /nfs/dbraw/zinc/33/25/52/416332552.db2.gz UZJVFJBIQGBJOF-DYEKYZERSA-N 0 0 303.424 0.821 10 0 DCAERN Cc1cc2cn[nH]c2c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000265229491 416341198 /nfs/dbraw/zinc/34/11/98/416341198.db2.gz BICTUXLVUXUVDX-NSHDSACASA-N 0 0 322.390 0.635 10 0 DCAERN CC=CC[C@H]1NC(=O)N(CC2(S(C)(=O)=O)CCC2)C1=O ZINC000359495709 416348450 /nfs/dbraw/zinc/34/84/50/416348450.db2.gz LMNVAGMDRGPIOF-UMBAGQNISA-N 0 0 300.380 0.840 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)C(=O)c2cnn(CC)c2)no1 ZINC000359514958 416349017 /nfs/dbraw/zinc/34/90/17/416349017.db2.gz YOYFSEDIPRVRAU-SECBINFHSA-N 0 0 321.337 0.883 10 0 DCAERN COC(=O)CCCC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000359568397 416350759 /nfs/dbraw/zinc/35/07/59/416350759.db2.gz YAFUQLNYJMPQQI-UHFFFAOYSA-N 0 0 320.411 0.118 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000359576534 416351636 /nfs/dbraw/zinc/35/16/36/416351636.db2.gz AJQRPAMJXLVJLK-AWEZNQCLSA-N 0 0 319.409 0.616 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000415792456 416354174 /nfs/dbraw/zinc/35/41/74/416354174.db2.gz VPOOINBWVJZXDM-MRXNPFEDSA-N 0 0 321.352 0.988 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NC[C@@H]2Cc3ccccc32)C1=O ZINC000194879388 416324850 /nfs/dbraw/zinc/32/48/50/416324850.db2.gz DGJVOGHITCUJCJ-NSHDSACASA-N 0 0 301.346 0.773 10 0 DCAERN Cc1ccc([C@@H](CNC(=O)[C@@H]2COCCN2)N2CCOCC2)o1 ZINC000237879758 416328904 /nfs/dbraw/zinc/32/89/04/416328904.db2.gz GUNLVEHHVWLPGA-UONOGXRCSA-N 0 0 323.393 0.066 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246074543 416331563 /nfs/dbraw/zinc/33/15/63/416331563.db2.gz DYWAXQLFOVHSPO-HUUCEWRRSA-N 0 0 305.378 0.702 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC000246638203 416332030 /nfs/dbraw/zinc/33/20/30/416332030.db2.gz BJAMJVMZTHGNBN-OLZOCXBDSA-N 0 0 306.410 0.675 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N(CCCO)Cc1ccccn1 ZINC000360525469 416394592 /nfs/dbraw/zinc/39/45/92/416394592.db2.gz ODVPLKJXSRRXBI-CYBMUJFWSA-N 0 0 313.423 0.995 10 0 DCAERN COC[C@@H](C)[C@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000360629298 416400258 /nfs/dbraw/zinc/40/02/58/416400258.db2.gz REDPSJDFLZQZDH-NEPJUHHUSA-N 0 0 320.455 0.693 10 0 DCAERN CC[C@H](OC)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807566 416411600 /nfs/dbraw/zinc/41/16/00/416411600.db2.gz VTLGIMHXRZBCDN-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O ZINC000532829244 416461268 /nfs/dbraw/zinc/46/12/68/416461268.db2.gz VSHXQSDQHUECME-SECBINFHSA-N 0 0 309.384 0.846 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@H]1CCCNC1=O ZINC000361613762 416461835 /nfs/dbraw/zinc/46/18/35/416461835.db2.gz QLAUJXQFZMDNGV-NEPJUHHUSA-N 0 0 318.381 0.023 10 0 DCAERN CC(C)(CNC(=O)NC[C@@H](O)Cn1ccnn1)c1cccs1 ZINC000458435203 416468379 /nfs/dbraw/zinc/46/83/79/416468379.db2.gz XQWQBMAYSDDQHE-LLVKDONJSA-N 0 0 323.422 0.978 10 0 DCAERN COC(=O)c1cn([C@H]2CCCN(Cc3ncccn3)C2)nn1 ZINC000361755474 416491601 /nfs/dbraw/zinc/49/16/01/416491601.db2.gz QYJFBHQZBISCIW-NSHDSACASA-N 0 0 302.338 0.692 10 0 DCAERN C[C@H](c1nnnn1C1CC1)N1CCN(Cc2nccn2C)CC1 ZINC000583599903 416476129 /nfs/dbraw/zinc/47/61/29/416476129.db2.gz MNSFOIRWZVQBFB-GFCCVEGCSA-N 0 0 316.413 0.620 10 0 DCAERN COC[C@H]1CN(C(=O)Cn2cccc(C)c2=O)CC(C)(C)O1 ZINC000583617348 416477608 /nfs/dbraw/zinc/47/76/08/416477608.db2.gz XOTHMYGESBIZOX-CYBMUJFWSA-N 0 0 308.378 0.809 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616281 416479363 /nfs/dbraw/zinc/47/93/63/416479363.db2.gz BRQKWKVBRFKNOL-CYBMUJFWSA-N 0 0 316.427 0.882 10 0 DCAERN CC(=O)N[C@H]1CCCN(c2nccc(N[C@H]3CCCOC3)n2)C1 ZINC000583624107 416480269 /nfs/dbraw/zinc/48/02/69/416480269.db2.gz CCBRNSBODWNNEJ-KBPBESRZSA-N 0 0 319.409 1.172 10 0 DCAERN CCN1CCN(C(=O)Cc2cnn(C)c2)C[C@H]1c1nccn1C ZINC000583623179 416480341 /nfs/dbraw/zinc/48/03/41/416480341.db2.gz WIWJOGJJDASYHM-AWEZNQCLSA-N 0 0 316.409 0.602 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1CCN1CCCS1(=O)=O ZINC000533208941 416480439 /nfs/dbraw/zinc/48/04/39/416480439.db2.gz HXRYSAJUMMVYDJ-AWEZNQCLSA-N 0 0 312.439 0.983 10 0 DCAERN CCN1CCN(C(=O)NC[C@H]2CCOC2)C[C@@H]1c1nccn1C ZINC000583622859 416480464 /nfs/dbraw/zinc/48/04/64/416480464.db2.gz FUKXETVXWJSOBR-ZIAGYGMSSA-N 0 0 321.425 0.845 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1 ZINC000583621797 416480910 /nfs/dbraw/zinc/48/09/10/416480910.db2.gz SYKGXSFRBDBJKZ-JSGCOSHPSA-N 0 0 314.345 0.891 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)[C@]12CCC(=O)N1CCS2 ZINC000533186677 416481372 /nfs/dbraw/zinc/48/13/72/416481372.db2.gz KCWRJVVASVUMDU-CZUORRHYSA-N 0 0 320.414 0.944 10 0 DCAERN O=C(NC[C@@H]1COCCO1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361037972 416419553 /nfs/dbraw/zinc/41/95/53/416419553.db2.gz NTUJLWRDAXWOLF-KOLCDFICSA-N 0 0 312.288 0.501 10 0 DCAERN CN1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1=O ZINC000361160636 416423749 /nfs/dbraw/zinc/42/37/49/416423749.db2.gz AMBUPELQOYCDLG-UHFFFAOYSA-N 0 0 303.318 0.208 10 0 DCAERN Cc1noc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)n1 ZINC000361193867 416424966 /nfs/dbraw/zinc/42/49/66/416424966.db2.gz LBJASRAMSIEWCT-JTQLQIEISA-N 0 0 308.260 0.977 10 0 DCAERN CN(Cc1nnnn1C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000532645601 416447648 /nfs/dbraw/zinc/44/76/48/416447648.db2.gz YNDMMDRPSUOFSX-AWEZNQCLSA-N 0 0 318.356 0.801 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2cc(C)cn(C)c2=O)CC1 ZINC000361981097 416539488 /nfs/dbraw/zinc/53/94/88/416539488.db2.gz DPCKWUXEBMLDSF-UHFFFAOYSA-N 0 0 322.365 0.016 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](COc2ccccc2)C1 ZINC000361983471 416540723 /nfs/dbraw/zinc/54/07/23/416540723.db2.gz IUWLRDMXJGKLFM-TZMCWYRMSA-N 0 0 321.377 0.610 10 0 DCAERN CNC(=O)[C@]1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOC1 ZINC000536955935 416550900 /nfs/dbraw/zinc/55/09/00/416550900.db2.gz WEWSTIWXRGCMDU-HNNXBMFYSA-N 0 0 313.398 0.444 10 0 DCAERN CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)C(C)(C)O)c1 ZINC000537503514 416557462 /nfs/dbraw/zinc/55/74/62/416557462.db2.gz LSARKPPVVCHKSM-UHFFFAOYSA-N 0 0 317.411 0.544 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@](C)(O)C1CC1 ZINC000361816264 416503043 /nfs/dbraw/zinc/50/30/43/416503043.db2.gz XHJVRZMDOYYKGT-HNNXBMFYSA-N 0 0 308.382 0.759 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCc1ccn(C)n1 ZINC000361862193 416512709 /nfs/dbraw/zinc/51/27/09/416512709.db2.gz LTAVSNDUVVOJLB-UHFFFAOYSA-N 0 0 318.381 0.574 10 0 DCAERN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCn1cnccc1=O ZINC000585238025 416519608 /nfs/dbraw/zinc/51/96/08/416519608.db2.gz FJPQQSZENLMNMF-LLVKDONJSA-N 0 0 305.309 0.966 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000361905166 416519831 /nfs/dbraw/zinc/51/98/31/416519831.db2.gz HLTHLIKNYPRJEP-QWRGUYRKSA-N 0 0 308.382 0.711 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC(n2ccnn2)C1 ZINC000361909626 416519905 /nfs/dbraw/zinc/51/99/05/416519905.db2.gz BYZPEOPDFBYLQB-UHFFFAOYSA-N 0 0 310.321 0.015 10 0 DCAERN C[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000362221819 416565824 /nfs/dbraw/zinc/56/58/24/416565824.db2.gz QGXWOWZTTINKIZ-WDEREUQCSA-N 0 0 307.398 1.524 10 0 DCAERN COC(=O)c1cn(CC(=O)Nc2ccc(O)c(OC)c2)nn1 ZINC000438115549 416592724 /nfs/dbraw/zinc/59/27/24/416592724.db2.gz LBRBNCRHRFWTBI-UHFFFAOYSA-N 0 0 306.278 0.418 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000362668998 416568674 /nfs/dbraw/zinc/56/86/74/416568674.db2.gz SWQPAXVWEJOCPR-GHMZBOCLSA-N 0 0 320.393 1.531 10 0 DCAERN COC(=O)CNC(=O)CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000538832237 416573660 /nfs/dbraw/zinc/57/36/60/416573660.db2.gz ZOYMTLKIBXUMSA-UHFFFAOYSA-N 0 0 322.365 0.476 10 0 DCAERN COC[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)c1ccc(F)cc1 ZINC000437366426 416581662 /nfs/dbraw/zinc/58/16/62/416581662.db2.gz AYTRSSGVFIMLOG-GFCCVEGCSA-N 0 0 323.324 0.523 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC=C(C)C1 ZINC000437861010 416589808 /nfs/dbraw/zinc/58/98/08/416589808.db2.gz IIAHRHVZTICFKS-VXGBXAGGSA-N 0 0 311.382 0.804 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCNC(=O)C2CC2)no1 ZINC000441897461 416682190 /nfs/dbraw/zinc/68/21/90/416682190.db2.gz MZEKIXRREKSFFU-UHFFFAOYSA-N 0 0 309.370 0.693 10 0 DCAERN O=C(Nc1cncc(F)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000440009597 416624301 /nfs/dbraw/zinc/62/43/01/416624301.db2.gz ZIFQTRTWNLQLHJ-NSHDSACASA-N 0 0 313.354 0.486 10 0 DCAERN CCOC(=O)c1nc(CN2CCN3CCOC[C@@H]3C2)cs1 ZINC000543557800 416640897 /nfs/dbraw/zinc/64/08/97/416640897.db2.gz PFFOMRFFNZQGSG-LBPRGKRZSA-N 0 0 311.407 0.836 10 0 DCAERN CC(=O)N1CCN(Cc2nnn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000440760266 416646775 /nfs/dbraw/zinc/64/67/75/416646775.db2.gz CYIQAVYVRFLAHJ-MRVPVSSYSA-N 0 0 306.292 0.288 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc2ncnn21 ZINC000543848598 416649621 /nfs/dbraw/zinc/64/96/21/416649621.db2.gz HGFWUNAPFNTEEL-NSHDSACASA-N 0 0 319.390 0.723 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440902662 416654350 /nfs/dbraw/zinc/65/43/50/416654350.db2.gz HTMRTKHVQOLNFF-WDEREUQCSA-N 0 0 315.439 0.898 10 0 DCAERN O=C(NCc1ccc2c(c1)C(=O)NCC2)c1cn2cccnc2n1 ZINC000544587330 416657619 /nfs/dbraw/zinc/65/76/19/416657619.db2.gz AUGGOUWNUPSWST-UHFFFAOYSA-N 0 0 321.340 0.945 10 0 DCAERN CCN1C[C@H](C)N(C(=O)C(=O)Nc2c(C)nn(C)c2C)C[C@H]1C ZINC000441123864 416662292 /nfs/dbraw/zinc/66/22/92/416662292.db2.gz KLXGRWCTFLBIFM-MNOVXSKESA-N 0 0 321.425 0.917 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)cccc1N(C)C ZINC000441188307 416664635 /nfs/dbraw/zinc/66/46/35/416664635.db2.gz KCKMZYMQBVUTHZ-RKFFSXRUSA-N 0 0 323.418 0.637 10 0 DCAERN CCc1nc(C(C)(C)NC[C@@H](O)CO[C@@H](C)COC)no1 ZINC000441260110 416667233 /nfs/dbraw/zinc/66/72/33/416667233.db2.gz GGELZMWNXAZFDV-WDEREUQCSA-N 0 0 301.387 0.869 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000545216765 416667577 /nfs/dbraw/zinc/66/75/77/416667577.db2.gz KDQZNIHRAVBNLF-XGUBFFRZSA-N 0 0 303.399 0.015 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCCN(C)C2=O)n1 ZINC000441455171 416672075 /nfs/dbraw/zinc/67/20/75/416672075.db2.gz VIPAYHYEAXMSMT-GFCCVEGCSA-N 0 0 306.366 0.553 10 0 DCAERN COc1cccc(CCNC(=O)NCCCN2CCOCC2)n1 ZINC000441421057 416672535 /nfs/dbraw/zinc/67/25/35/416672535.db2.gz AITFSGBWWGGDMT-UHFFFAOYSA-N 0 0 322.409 0.654 10 0 DCAERN O=C(CC1CCCCC1)NCC(=O)N1CC(n2ccnn2)C1 ZINC000368600794 416672666 /nfs/dbraw/zinc/67/26/66/416672666.db2.gz IJOACDWRIKWBRT-UHFFFAOYSA-N 0 0 305.382 0.748 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000545308844 416672635 /nfs/dbraw/zinc/67/26/35/416672635.db2.gz OSVUAJPTIBGPTP-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 ZINC000441490875 416673043 /nfs/dbraw/zinc/67/30/43/416673043.db2.gz WZXWFLRHGIWWTN-LBPRGKRZSA-N 0 0 318.377 0.695 10 0 DCAERN COc1cccc(CCNC(=O)NCCCS(C)(=O)=O)n1 ZINC000441464359 416673516 /nfs/dbraw/zinc/67/35/16/416673516.db2.gz ANYVAHVBFNGUNA-UHFFFAOYSA-N 0 0 315.395 0.367 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccnc1N1CCCCC1 ZINC000443260017 416744359 /nfs/dbraw/zinc/74/43/59/416744359.db2.gz BQCUJPUKGVZNEB-UHFFFAOYSA-N 0 0 320.393 0.851 10 0 DCAERN COC(=O)c1nc(NCCCCS(C)(=O)=O)sc1C ZINC000425264754 416688695 /nfs/dbraw/zinc/68/86/95/416688695.db2.gz QWHOEMZRKPIBPK-UHFFFAOYSA-N 0 0 306.409 1.475 10 0 DCAERN Cc1cnc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nc1 ZINC000515077775 416692275 /nfs/dbraw/zinc/69/22/75/416692275.db2.gz QMVFKBQHHUNKSA-OAHLLOKOSA-N 0 0 303.366 0.595 10 0 DCAERN C[C@@H](C(=O)N(C)C[C@@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000368901892 416704766 /nfs/dbraw/zinc/70/47/66/416704766.db2.gz QFIWYVDDNUTNET-RYUDHWBXSA-N 0 0 323.393 0.877 10 0 DCAERN C[S@@](=O)C1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000442936623 416721304 /nfs/dbraw/zinc/72/13/04/416721304.db2.gz ZUMFZODVALXJMB-OAQYLSRUSA-N 0 0 311.407 0.848 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369129689 416726544 /nfs/dbraw/zinc/72/65/44/416726544.db2.gz HGRVZLQWTGNMLO-HNNXBMFYSA-N 0 0 313.398 0.444 10 0 DCAERN Cc1nnc(CN2CCN(S(=O)(=O)CC(C)(C)C)CC2)[nH]1 ZINC000443054248 416729542 /nfs/dbraw/zinc/72/95/42/416729542.db2.gz ZFVATPSIYWMYJE-UHFFFAOYSA-N 0 0 315.443 0.607 10 0 DCAERN CO[C@H]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000443132221 416733254 /nfs/dbraw/zinc/73/32/54/416733254.db2.gz KOUSGLPZFHPWTB-QWRGUYRKSA-N 0 0 323.397 0.998 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)C(C)C ZINC000614990388 416733528 /nfs/dbraw/zinc/73/35/28/416733528.db2.gz XNCOYYUTMAEVFL-NSHDSACASA-N 0 0 308.386 0.254 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623269579 416786626 /nfs/dbraw/zinc/78/66/26/416786626.db2.gz NYMROIYYSKUSSG-BBRMVZONSA-N 0 0 310.357 0.902 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)C(=O)NCC(F)F ZINC000444139824 416807206 /nfs/dbraw/zinc/80/72/06/416807206.db2.gz HCMKVQVKWHTEIY-UHFFFAOYSA-N 0 0 311.292 0.159 10 0 DCAERN CSc1ccccc1S(=O)(=O)N1CC[C@H](NC(N)=O)C1 ZINC000444209719 416817462 /nfs/dbraw/zinc/81/74/62/416817462.db2.gz DJPPQABJOUSCFC-VIFPVBQESA-N 0 0 315.420 0.840 10 0 DCAERN CCO[C@H]1C[C@@](NCCCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000444765126 416868231 /nfs/dbraw/zinc/86/82/31/416868231.db2.gz YHNFPCGYNJFZQF-SMDDNHRTSA-N 0 0 321.439 0.758 10 0 DCAERN CNC(=O)Cc1noc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)n1 ZINC000615633667 416877772 /nfs/dbraw/zinc/87/77/72/416877772.db2.gz PXRMRZAPWLOYDY-IMSIIYSGSA-N 0 0 322.365 0.132 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(F)(F)F ZINC000623742578 416883149 /nfs/dbraw/zinc/88/31/49/416883149.db2.gz XPUFMWRQLNGHLC-UHFFFAOYSA-N 0 0 311.304 0.474 10 0 DCAERN O=C(Nc1nnc(C2CC2)s1)N1CCN2CCOC[C@H]2C1 ZINC000564313386 416889637 /nfs/dbraw/zinc/88/96/37/416889637.db2.gz VDUJIJHVTGNGJH-SNVBAGLBSA-N 0 0 309.395 0.964 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282593 416827639 /nfs/dbraw/zinc/82/76/39/416827639.db2.gz XTKKUXZLTZGVFQ-MFKMUULPSA-N 0 0 305.396 0.815 10 0 DCAERN Cc1ncc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)c(N)n1 ZINC000519263159 416899071 /nfs/dbraw/zinc/89/90/71/416899071.db2.gz BMWMKDNCTCLQDS-HNNXBMFYSA-N 0 0 306.366 0.777 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC12COC2 ZINC000615932921 416937328 /nfs/dbraw/zinc/93/73/28/416937328.db2.gz WLJYMHHFYSFLDX-HNNXBMFYSA-N 0 0 300.358 0.961 10 0 DCAERN Cn1nccc1NC(=O)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000446803642 416949052 /nfs/dbraw/zinc/94/90/52/416949052.db2.gz MFDADBQCEOTXMG-LBPRGKRZSA-N 0 0 302.334 0.251 10 0 DCAERN CNc1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000376647832 417035278 /nfs/dbraw/zinc/03/52/78/417035278.db2.gz AUNNVJHGVYDUEI-HNNXBMFYSA-N 0 0 318.421 1.450 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@@H](CO)c2ccnn2C)cc1O ZINC000616229069 416993696 /nfs/dbraw/zinc/99/36/96/416993696.db2.gz DKFNRSFFKDWGOJ-LBPRGKRZSA-N 0 0 303.318 0.792 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)CCOC(C)(C)C)C1 ZINC000632293333 417005343 /nfs/dbraw/zinc/00/53/43/417005343.db2.gz BWPCYWWRVKSTMB-CYBMUJFWSA-N 0 0 320.455 0.979 10 0 DCAERN Nc1ncnc(NC[C@@H]2C[C@H](F)CN2c2cccnn2)c1Cl ZINC000375695384 417006705 /nfs/dbraw/zinc/00/67/05/417006705.db2.gz CCHFOPOZNGKSOJ-IUCAKERBSA-N 0 0 323.763 1.531 10 0 DCAERN CNc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000375842007 417013047 /nfs/dbraw/zinc/01/30/47/417013047.db2.gz UTWXNAVYCLEUEI-ZDUSSCGKSA-N 0 0 318.377 0.633 10 0 DCAERN c1nc2c(ncnc2N2CCN(c3nccnn3)CC2)n1C1CC1 ZINC000624444266 417039205 /nfs/dbraw/zinc/03/92/05/417039205.db2.gz VYFDKKKOGMWQHN-UHFFFAOYSA-N 0 0 323.364 0.673 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cc(C)on1 ZINC000624601642 417066123 /nfs/dbraw/zinc/06/61/23/417066123.db2.gz DBELZMRXKTYYEO-UHFFFAOYSA-N 0 0 324.381 0.409 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NC[C@@]3(C)CCOC3)CC2)n1 ZINC000523387254 417081376 /nfs/dbraw/zinc/08/13/76/417081376.db2.gz SPWWFTVTVLOCEY-OAHLLOKOSA-N 0 0 323.397 0.632 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616592589 417083676 /nfs/dbraw/zinc/08/36/76/417083676.db2.gz CPJYNCWMIJYLJC-LLVKDONJSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CCOCCN1S(C)(=O)=O ZINC000616598962 417083717 /nfs/dbraw/zinc/08/37/17/417083717.db2.gz MQOMEHVRBXCYKV-NSHDSACASA-N 0 0 322.427 0.952 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616646168 417087042 /nfs/dbraw/zinc/08/70/42/417087042.db2.gz FXWPRIPYEQCVEZ-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CCOC(=O)c1cccc([C@H]2CNCCN2S(C)(=O)=O)c1 ZINC000616638850 417088580 /nfs/dbraw/zinc/08/85/80/417088580.db2.gz JFKLYWIDCHPOQV-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1cccc2nnccc21 ZINC000616658559 417090089 /nfs/dbraw/zinc/09/00/89/417090089.db2.gz IVCFXXMOXWSKDO-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1CCOCCN1S(C)(=O)=O ZINC000616656418 417090555 /nfs/dbraw/zinc/09/05/55/417090555.db2.gz AIYVIXDVJLAOAD-SNVBAGLBSA-N 0 0 308.400 0.562 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2cccnn2)C1 ZINC000616658231 417090863 /nfs/dbraw/zinc/09/08/63/417090863.db2.gz YWLQIAFHARUPPG-CYBMUJFWSA-N 0 0 307.398 0.948 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3nnccc32)C1 ZINC000616662071 417091625 /nfs/dbraw/zinc/09/16/25/417091625.db2.gz FXRQNXMZLLEZSE-JTQLQIEISA-N 0 0 308.363 0.249 10 0 DCAERN COc1nc(NCC[C@@]2(O)CCOC2)ncc1Br ZINC000404167879 417119035 /nfs/dbraw/zinc/11/90/35/417119035.db2.gz QSWWWKBXISATJU-LLVKDONJSA-N 0 0 318.171 0.623 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)c1nscc1Br ZINC000404939350 417121051 /nfs/dbraw/zinc/12/10/51/417121051.db2.gz LIYPHMGAIZANAL-VIFPVBQESA-N 0 0 307.169 0.787 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)c1nscc1Br ZINC000404820256 417121627 /nfs/dbraw/zinc/12/16/27/417121627.db2.gz MLAYLUULUXQLPF-ZCFIWIBFSA-N 0 0 304.169 0.914 10 0 DCAERN Cn1nnnc1CNC(=O)c1nscc1Br ZINC000404850904 417121847 /nfs/dbraw/zinc/12/18/47/417121847.db2.gz PPMHYVHQSWBMIA-UHFFFAOYSA-N 0 0 303.145 0.359 10 0 DCAERN CC1CCC(S(=O)(=O)NCCN2CCC(O)CC2)CC1 ZINC000407248684 417127203 /nfs/dbraw/zinc/12/72/03/417127203.db2.gz DEFKZPPZIIDMPR-UHFFFAOYSA-N 0 0 304.456 0.941 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408027653 417133034 /nfs/dbraw/zinc/13/30/34/417133034.db2.gz AKEYJZGHIXXCBZ-ZDUSSCGKSA-N 0 0 304.412 0.176 10 0 DCAERN CC(C)C(=O)N1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000408017934 417134622 /nfs/dbraw/zinc/13/46/22/417134622.db2.gz WOKSXZMEVYSHNR-UHFFFAOYSA-N 0 0 300.366 0.912 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)nn2)[C@@H](C)C1 ZINC000408046713 417137731 /nfs/dbraw/zinc/13/77/31/417137731.db2.gz CTNQCFZZQIMOEC-NSHDSACASA-N 0 0 321.381 1.348 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3ncc(C)cc3O)CCN2C)n1 ZINC000408063566 417135906 /nfs/dbraw/zinc/13/59/06/417135906.db2.gz RDMJTAUXJJMMTB-LLVKDONJSA-N 0 0 317.349 0.916 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408178150 417146173 /nfs/dbraw/zinc/14/61/73/417146173.db2.gz OZAZCCNBUDDVKL-RWMBFGLXSA-N 0 0 320.411 0.020 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000525808619 417154665 /nfs/dbraw/zinc/15/46/65/417154665.db2.gz RNWZCDQZZSRZKJ-CJNGLKHVSA-N 0 0 324.425 0.019 10 0 DCAERN CN([C@@H]1CCCN(C)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000408386576 417158943 /nfs/dbraw/zinc/15/89/43/417158943.db2.gz PGLMUFVVDCYHRZ-SECBINFHSA-N 0 0 306.819 0.788 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000617259912 417188605 /nfs/dbraw/zinc/18/86/05/417188605.db2.gz KEFGLHODCOSSEL-HIFRSBDPSA-N 0 0 305.382 0.385 10 0 DCAERN COC(=O)C[C@@H]1CSCCN1C(=O)Cc1cn(C)nc1C ZINC000449968661 417189992 /nfs/dbraw/zinc/18/99/92/417189992.db2.gz BWUNPRWLGOLROY-GFCCVEGCSA-N 0 0 311.407 0.778 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)[C@@H](C)C1 ZINC000527004031 417199611 /nfs/dbraw/zinc/19/96/11/417199611.db2.gz GNUZJZMDBGVZBR-NWDGAFQWSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)[C@H](C)C1 ZINC000527004030 417200890 /nfs/dbraw/zinc/20/08/90/417200890.db2.gz GNUZJZMDBGVZBR-NEPJUHHUSA-N 0 0 303.366 0.256 10 0 DCAERN Cn1cnc(CCNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)n1 ZINC000527223959 417226331 /nfs/dbraw/zinc/22/63/31/417226331.db2.gz VRPMWXNERJJHGM-OAHLLOKOSA-N 0 0 323.397 0.337 10 0 DCAERN COc1cc(NC(=O)[C@](C)(O)Cn2ccccc2=O)ccc1O ZINC000438084747 287366926 /nfs/dbraw/zinc/36/69/26/287366926.db2.gz JULDXBVBXZYPQH-MRXNPFEDSA-N 0 0 318.329 0.952 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@@H]21 ZINC000569267974 417233558 /nfs/dbraw/zinc/23/35/58/417233558.db2.gz QXBGSDFGFTUDDH-UONOGXRCSA-N 0 0 324.425 0.160 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN3C(=O)N=NC3C2)c(F)c1 ZINC000438461494 287371260 /nfs/dbraw/zinc/37/12/60/287371260.db2.gz ZVDNIJTYVXRDKN-UHFFFAOYSA-N 0 0 304.281 0.981 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000450707164 417261764 /nfs/dbraw/zinc/26/17/64/417261764.db2.gz AREGVGZGXIWRIC-UHFFFAOYSA-N 0 0 321.425 0.923 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000621968519 417357564 /nfs/dbraw/zinc/35/75/64/417357564.db2.gz LDJXWKQPSPJIHL-SNVBAGLBSA-N 0 0 308.281 0.829 10 0 DCAERN CCOC[C@@H]1CN(S(=O)(=O)c2ccccc2N)CCO1 ZINC000528535910 417357651 /nfs/dbraw/zinc/35/76/51/417357651.db2.gz JYTKSNZAXRTAFE-NSHDSACASA-N 0 0 300.380 0.695 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N2CCC[C@@H](C)C2)CC12COC2 ZINC000451125879 417300304 /nfs/dbraw/zinc/30/03/04/417300304.db2.gz ORDPJFVFXHAXTJ-ZIAGYGMSSA-N 0 0 324.421 0.756 10 0 DCAERN CCCCCNC(=O)CN1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451125362 417302612 /nfs/dbraw/zinc/30/26/12/417302612.db2.gz LJXSNWCHHDERQO-CYBMUJFWSA-N 0 0 312.410 0.804 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(CC)nc(C)n1 ZINC000569878540 417306065 /nfs/dbraw/zinc/30/60/65/417306065.db2.gz XFAJSWMLOOCWSA-VHSXEESVSA-N 0 0 308.382 1.216 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)CC)CC1 ZINC000451240232 417322630 /nfs/dbraw/zinc/32/26/30/417322630.db2.gz CQDGHGKSJBJXNW-VHSXEESVSA-N 0 0 312.366 0.318 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NS(=O)(=O)CC3CC3)[C@H]2C1 ZINC000570239799 417331939 /nfs/dbraw/zinc/33/19/39/417331939.db2.gz GPOZBOBILZUJON-IHRRRGAJSA-N 0 0 300.424 0.963 10 0 DCAERN O=S1(=O)CCC[C@H]1CNCc1cnnn1Cc1ccccc1 ZINC000570900449 417402316 /nfs/dbraw/zinc/40/23/16/417402316.db2.gz GRDYIEWWRNFBOE-HNNXBMFYSA-N 0 0 320.418 0.993 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000633328320 417411855 /nfs/dbraw/zinc/41/18/55/417411855.db2.gz NHWRBLBQOJVTDQ-UKRRQHHQSA-N 0 0 317.345 0.861 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NCC[C@@H]1CC1(F)F ZINC000622204381 417418205 /nfs/dbraw/zinc/41/82/05/417418205.db2.gz UXRIULAMQXJJHN-SSDOTTSWSA-N 0 0 307.322 0.448 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC000633439839 417429874 /nfs/dbraw/zinc/42/98/74/417429874.db2.gz LDZFLDLQBRZXBC-GFCCVEGCSA-N 0 0 316.423 0.328 10 0 DCAERN Cn1nccc1[C@@H](CO)NC(=O)c1cnc(OCC2CC2)cn1 ZINC000622694879 417488237 /nfs/dbraw/zinc/48/82/37/417488237.db2.gz WMQJHAKAZVFAOI-GFCCVEGCSA-N 0 0 317.349 0.462 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2[nH]cnc2C)CC12COC2 ZINC000452610084 417492613 /nfs/dbraw/zinc/49/26/13/417492613.db2.gz DFLIRJMPAPJJCY-NSHDSACASA-N 0 0 307.350 0.299 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2C)CC12COC2 ZINC000452220878 417460515 /nfs/dbraw/zinc/46/05/15/417460515.db2.gz IKEAYCJAHFORNX-LBPRGKRZSA-N 0 0 307.350 0.380 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCCn3nccc32)[C@H](C)C1 ZINC000633599120 417462308 /nfs/dbraw/zinc/46/23/08/417462308.db2.gz CFJAUWOHSSFBJL-YPMHNXCESA-N 0 0 305.382 0.980 10 0 DCAERN CC[C@@H](CO)N(C)C(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000452280980 417464292 /nfs/dbraw/zinc/46/42/92/417464292.db2.gz DADRNHSEDBBFEZ-NSHDSACASA-N 0 0 300.380 0.438 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000633625798 417466059 /nfs/dbraw/zinc/46/60/59/417466059.db2.gz ITPJSBVKHPQMBF-MVWJERBFSA-N 0 0 302.396 0.079 10 0 DCAERN C[C@@H](O)CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000439013864 287380532 /nfs/dbraw/zinc/38/05/32/287380532.db2.gz YKDFWYGNKIUHLP-GFCCVEGCSA-N 0 0 316.398 0.903 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@]2(C)COc3ccccc3O2)C1 ZINC000529617014 417479140 /nfs/dbraw/zinc/47/91/40/417479140.db2.gz LFOJOYMDMVPALK-INIZCTEOSA-N 0 0 304.346 0.811 10 0 DCAERN CC[C@H](NC(=O)C(=O)Nc1cc(C)cc(OC)c1C)C(=O)NC ZINC000454098337 417547688 /nfs/dbraw/zinc/54/76/88/417547688.db2.gz MXUKAMNUGBNOIY-NSHDSACASA-N 0 0 321.377 0.891 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000575824589 417555450 /nfs/dbraw/zinc/55/54/50/417555450.db2.gz UYTCHNXBVARXFT-JTQLQIEISA-N 0 0 317.349 0.113 10 0 DCAERN CCn1nc(NC(=O)CN2CCCC[C@H](O)C2=O)cc1C1CC1 ZINC000644384369 417559808 /nfs/dbraw/zinc/55/98/08/417559808.db2.gz SCDNGCSIDGVBHN-ZDUSSCGKSA-N 0 0 320.393 1.092 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCCO2)cc1 ZINC000627776274 417503201 /nfs/dbraw/zinc/50/32/01/417503201.db2.gz VUNWEIFIQDRGEU-UONOGXRCSA-N 0 0 320.345 0.484 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)ccc1F ZINC000627834014 417512912 /nfs/dbraw/zinc/51/29/12/417512912.db2.gz SLZDKIWCYHBOBY-CZMCAQCFSA-N 0 0 321.308 0.347 10 0 DCAERN CCCNC(=O)[C@@H](C)S(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453027335 417519121 /nfs/dbraw/zinc/51/91/21/417519121.db2.gz BDTYAHWRNWSVRU-SSDOTTSWSA-N 0 0 320.392 0.618 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000454851577 417581578 /nfs/dbraw/zinc/58/15/78/417581578.db2.gz VQQBXVRAVKGMNK-YNEHKIRRSA-N 0 0 312.414 0.999 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3nc(C)no3)CC2)C1 ZINC000530513584 417581637 /nfs/dbraw/zinc/58/16/37/417581637.db2.gz HCLHPPDAZPGBKY-OLZOCXBDSA-N 0 0 323.397 0.773 10 0 DCAERN CC(=O)N1CC(C(=O)NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000530517962 417582556 /nfs/dbraw/zinc/58/25/56/417582556.db2.gz OFRGIBFSUYLXCZ-UHFFFAOYSA-N 0 0 301.346 0.752 10 0 DCAERN O=C(NCCc1cn[nH]c1)NC[C@H](O)Cc1cccc(F)c1 ZINC000454973455 417587451 /nfs/dbraw/zinc/58/74/51/417587451.db2.gz MNMLERXRIANYTN-CQSZACIVSA-N 0 0 306.341 0.994 10 0 DCAERN Cn1c(C(=O)N2CCC23CCC3)cc2c1n(C)c(=O)n(C)c2=O ZINC000530877099 417594337 /nfs/dbraw/zinc/59/43/37/417594337.db2.gz CJRNUFTYDWIFBL-UHFFFAOYSA-N 0 0 316.361 0.344 10 0 DCAERN Cn1cc(NC(=O)CN2CCCC[C@H](O)C2=O)c(C2CC2)n1 ZINC000644488970 417598422 /nfs/dbraw/zinc/59/84/22/417598422.db2.gz VRTMSAZHXIKVFJ-LBPRGKRZSA-N 0 0 306.366 0.609 10 0 DCAERN COC[C@](C)(O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000531156199 417608234 /nfs/dbraw/zinc/60/82/34/417608234.db2.gz JNYOSYZDOWTRID-OAHLLOKOSA-N 0 0 321.381 0.359 10 0 DCAERN COC(=O)c1nc2nc(C)cc(NC[C@H](O)C(F)F)n2n1 ZINC000575941771 417564740 /nfs/dbraw/zinc/56/47/40/417564740.db2.gz PSEUDPWDEVUIOS-LURJTMIESA-N 0 0 301.253 0.257 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C)[C@H](OC)C2CC2)C1 ZINC000454686501 417575994 /nfs/dbraw/zinc/57/59/94/417575994.db2.gz UCHYIZOMUXZYRA-WXHSDQCUSA-N 0 0 312.414 0.903 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N(CCO)CCCO ZINC000440309011 287397784 /nfs/dbraw/zinc/39/77/84/287397784.db2.gz UOLFZGVYEOUCBB-UHFFFAOYSA-N 0 0 322.361 0.153 10 0 DCAERN Cn1cnc(CCNC(=O)NC[C@@H](CO)c2ccccc2)n1 ZINC000531527003 417625419 /nfs/dbraw/zinc/62/54/19/417625419.db2.gz DYITUVGTWZWPQY-ZDUSSCGKSA-N 0 0 303.366 0.433 10 0 DCAERN COc1cccc(CCNC(=O)NCC2(CO)CCOCC2)n1 ZINC000440242108 287395390 /nfs/dbraw/zinc/39/53/90/287395390.db2.gz UBRQXRMGTGQUHK-UHFFFAOYSA-N 0 0 323.393 0.721 10 0 DCAERN O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000628521220 417628550 /nfs/dbraw/zinc/62/85/50/417628550.db2.gz NZBJZPHVWKNMFZ-CAOSSQGBSA-N 0 0 321.373 0.202 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H](C)N1CCO ZINC000456208449 417634346 /nfs/dbraw/zinc/63/43/46/417634346.db2.gz ILPAFPBZLCSNKB-OKILXGFUSA-N 0 0 316.405 0.950 10 0 DCAERN COC(=O)[C@H]1CCCN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000440716805 287406520 /nfs/dbraw/zinc/40/65/20/287406520.db2.gz ZHLOXYUVSFAFQI-QMMMGPOBSA-N 0 0 307.276 0.620 10 0 DCAERN C[C@H](NC(=O)Nc1ncn(C(C)(C)C)n1)C(=O)N1CCCC1 ZINC000579792161 417694048 /nfs/dbraw/zinc/69/40/48/417694048.db2.gz XULQQLXRPYFGHY-JTQLQIEISA-N 0 0 308.386 1.166 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000635379927 417648005 /nfs/dbraw/zinc/64/80/05/417648005.db2.gz CAXPUIIPKCUTTO-KBPBESRZSA-N 0 0 313.361 0.470 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)N(C)Cc2nnnn2C)c1 ZINC000532067339 417654914 /nfs/dbraw/zinc/65/49/14/417654914.db2.gz WKRCSFAZQBMVGQ-UHFFFAOYSA-N 0 0 317.353 0.624 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCCCOCC(F)(F)F ZINC000532064191 417654955 /nfs/dbraw/zinc/65/49/55/417654955.db2.gz UQFNQOAAXIAWJR-UHFFFAOYSA-N 0 0 310.280 0.321 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1Cl ZINC000440477813 287402335 /nfs/dbraw/zinc/40/23/35/287402335.db2.gz KCNMUIMNMWGPGH-SECBINFHSA-N 0 0 323.736 0.486 10 0 DCAERN COc1ncc(NC(=O)C(=O)NCCCC2CC2)cc1C(N)=O ZINC000532146518 417663231 /nfs/dbraw/zinc/66/32/31/417663231.db2.gz JUKBVVFAQALLDI-UHFFFAOYSA-N 0 0 320.349 0.434 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3c(cnn3C)c2)[C@@H](C)C1 ZINC000532427540 417679048 /nfs/dbraw/zinc/67/90/48/417679048.db2.gz IJNVXMHHDXYEKF-JTQLQIEISA-N 0 0 301.350 0.661 10 0 DCAERN Cn1ncc(Br)c1C(=O)NC[C@@H]1COCCN1C ZINC000628913057 417716656 /nfs/dbraw/zinc/71/66/56/417716656.db2.gz MBWAHCGBJYLMRS-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN COc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccc1Cl ZINC000458135570 417723633 /nfs/dbraw/zinc/72/36/33/417723633.db2.gz KAYZQYBKIGNNOR-SNVBAGLBSA-N 0 0 310.741 0.731 10 0 DCAERN Cc1ccn2cc(C(=O)NC[C@@H](O)Cn3ccnn3)nc2c1 ZINC000458151786 417725666 /nfs/dbraw/zinc/72/56/66/417725666.db2.gz XAAPBVXAJKBJKU-LLVKDONJSA-N 0 0 300.322 0.025 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1c(C2CC2)cnn1C ZINC000661805341 418362155 /nfs/dbraw/zinc/36/21/55/418362155.db2.gz HRZBYMVGIKJILA-JTQLQIEISA-N 0 0 305.382 0.718 10 0 DCAERN COCC1(O)CN(C(=O)c2cnc3c(cnn3CC(C)C)c2)C1 ZINC000452568580 287480536 /nfs/dbraw/zinc/48/05/36/287480536.db2.gz QKWXGLCSCFXTGF-UHFFFAOYSA-N 0 0 318.377 0.921 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N(C[C@@H](C)OC)C(C)C ZINC000487015279 287530843 /nfs/dbraw/zinc/53/08/43/287530843.db2.gz WCIQJYCYPQTFEQ-LLVKDONJSA-N 0 0 310.416 0.471 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)COC ZINC000488319820 287549553 /nfs/dbraw/zinc/54/95/53/287549553.db2.gz ZITMFRVAJMYXFG-NXEZZACHSA-N 0 0 302.371 0.232 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000488248235 287547496 /nfs/dbraw/zinc/54/74/96/287547496.db2.gz HNTPZLJYFBVROH-NXEZZACHSA-N 0 0 310.394 0.995 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCSC[C@H]2CCO)C1 ZINC000408011935 299847945 /nfs/dbraw/zinc/84/79/45/299847945.db2.gz XFTYPAHOYZVITK-NWDGAFQWSA-N 0 0 308.469 0.763 10 0 DCAERN Cc1noc(CCNC(=O)CNC(=O)NC2CCCCC2)n1 ZINC000299686177 229331075 /nfs/dbraw/zinc/33/10/75/229331075.db2.gz UEAPEBKDSOIELL-UHFFFAOYSA-N 0 0 309.370 0.669 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3[nH]ccc3C)CC[C@@H]21 ZINC000299742384 229379451 /nfs/dbraw/zinc/37/94/51/229379451.db2.gz HNAXBPMVPZKWIY-NEPJUHHUSA-N 0 0 306.366 0.578 10 0 DCAERN CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@H](O)C(N)=O)CC1 ZINC000299751235 229396625 /nfs/dbraw/zinc/39/66/25/229396625.db2.gz PZWIRJUGGRBWQE-GJZGRUSLSA-N 0 0 319.405 0.374 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000228059633 545945759 /nfs/dbraw/zinc/94/57/59/545945759.db2.gz KXPHRPXOKBLPFM-VIFPVBQESA-N 0 0 321.786 0.790 10 0 DCAERN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1COC(=O)N1)CC2 ZINC000062634100 261106587 /nfs/dbraw/zinc/10/65/87/261106587.db2.gz WMVFSXUKXUIGNY-NSHDSACASA-N 0 0 306.318 0.697 10 0 DCAERN Cc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)c(=O)[nH]c1C ZINC000179321064 261112576 /nfs/dbraw/zinc/11/25/76/261112576.db2.gz PASFRVWWMQVGNY-UHFFFAOYSA-N 0 0 318.299 0.707 10 0 DCAERN CC[C@H]1CN(C(=O)NCCC(=O)N(C)C)CCN1CC(F)F ZINC000179681323 261114130 /nfs/dbraw/zinc/11/41/30/261114130.db2.gz QBUUYQSROYPGES-NSHDSACASA-N 0 0 320.384 0.836 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1ncnn1C ZINC000184727811 261119839 /nfs/dbraw/zinc/11/98/39/261119839.db2.gz JOYICFSAQJOOMN-AWEZNQCLSA-N 0 0 303.341 0.936 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)NCC2CN(S(C)(=O)=O)C2)o1 ZINC000186263081 261121649 /nfs/dbraw/zinc/12/16/49/261121649.db2.gz XYZRQPYUOSQLMQ-JTQLQIEISA-N 0 0 315.395 0.840 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1cn2ccnc2s1 ZINC000188496008 261127639 /nfs/dbraw/zinc/12/76/39/261127639.db2.gz HGSISQXJXPXNQV-QMMMGPOBSA-N 0 0 301.393 0.949 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC000188450243 261127664 /nfs/dbraw/zinc/12/76/64/261127664.db2.gz IQTNWZCPDPJURN-TZMCWYRMSA-N 0 0 311.426 0.862 10 0 DCAERN CCc1cccc(NC(=O)CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189962235 261133657 /nfs/dbraw/zinc/13/36/57/261133657.db2.gz WXWVKFCXXHAOCF-UHFFFAOYSA-N 0 0 318.377 0.717 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000190531301 261134265 /nfs/dbraw/zinc/13/42/65/261134265.db2.gz SDXWNQGGEXXYCD-UHFFFAOYSA-N 0 0 317.267 0.983 10 0 DCAERN CCCc1cc(NC[C@H](O)CN2CCOCC2)n2ncnc2n1 ZINC000193515456 261142083 /nfs/dbraw/zinc/14/20/83/261142083.db2.gz PUQRDAKYGXZJLK-ZDUSSCGKSA-N 0 0 320.397 0.182 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C(=O)c2ccccc2)cc1 ZINC000194007876 261143782 /nfs/dbraw/zinc/14/37/82/261143782.db2.gz GQTNCEDDLXKVBI-UHFFFAOYSA-N 0 0 318.354 0.833 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)c3ccccc3)CCO2)[nH]1 ZINC000194361331 261146000 /nfs/dbraw/zinc/14/60/00/261146000.db2.gz FAFDNQKUZFYGPW-LBPRGKRZSA-N 0 0 300.318 0.896 10 0 DCAERN C[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(=O)NC(C)(C)C ZINC000194647523 261147100 /nfs/dbraw/zinc/14/71/00/261147100.db2.gz GGTOAGOSDZQQRX-JTQLQIEISA-N 0 0 318.377 0.749 10 0 DCAERN O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@H]1CNC(=O)C1 ZINC000194861022 261148203 /nfs/dbraw/zinc/14/82/03/261148203.db2.gz UCMUOHYAEDBQBM-NEPJUHHUSA-N 0 0 323.418 0.374 10 0 DCAERN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194770460 261148621 /nfs/dbraw/zinc/14/86/21/261148621.db2.gz MBHUQPREJAWSJY-CYBMUJFWSA-N 0 0 301.346 0.107 10 0 DCAERN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CNC(=O)C1 ZINC000194879009 261149842 /nfs/dbraw/zinc/14/98/42/261149842.db2.gz DDIFCVXFAWOVDQ-KBPBESRZSA-N 0 0 315.373 0.602 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228552002 261153581 /nfs/dbraw/zinc/15/35/81/261153581.db2.gz JLNZSBAQQXIPLF-TUAOUCFPSA-N 0 0 306.428 0.433 10 0 DCAERN COC[C@@H](C)CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000311868202 261174706 /nfs/dbraw/zinc/17/47/06/261174706.db2.gz RRWWFUZGHINJIN-IUCAKERBSA-N 0 0 306.350 0.681 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCc1nccs1 ZINC000356929597 261484530 /nfs/dbraw/zinc/48/45/30/261484530.db2.gz DPDCWBAIAQTWIT-OAHLLOKOSA-N 0 0 321.402 0.805 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O ZINC000357387017 261535283 /nfs/dbraw/zinc/53/52/83/261535283.db2.gz WJRAFUJYKAGFBK-MROQNXINSA-N 0 0 300.424 0.759 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1c(C)n[nH]c1C ZINC000357391002 261535358 /nfs/dbraw/zinc/53/53/58/261535358.db2.gz KMBHPBCKKYESPE-WDEREUQCSA-N 0 0 324.381 0.142 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)NCc1ccc2cc[nH]c2n1 ZINC000357778077 261584473 /nfs/dbraw/zinc/58/44/73/261584473.db2.gz GVTGOFJNYKCNDG-UHFFFAOYSA-N 0 0 315.333 0.511 10 0 DCAERN O=C(COc1coc(CO)cc1=O)Nc1ccc2c(c1)OCO2 ZINC000358587258 261685381 /nfs/dbraw/zinc/68/53/81/261685381.db2.gz WEXNFPKHRRUHEJ-UHFFFAOYSA-N 0 0 319.269 0.878 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000358674531 261691145 /nfs/dbraw/zinc/69/11/45/261691145.db2.gz ZRCWLFUSRCXEHL-NXEZZACHSA-N 0 0 323.315 0.467 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2)OC ZINC000358838107 261705379 /nfs/dbraw/zinc/70/53/79/261705379.db2.gz IHCMOUWRUFSBQA-CYBMUJFWSA-N 0 0 322.361 0.728 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)C1 ZINC000360188923 261806471 /nfs/dbraw/zinc/80/64/71/261806471.db2.gz IWWJSJCURGFRLT-RTXFEEFZSA-N 0 0 304.412 0.342 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCSC[C@@H]2CCO)CCOC1 ZINC000360472163 261835022 /nfs/dbraw/zinc/83/50/22/261835022.db2.gz FASURFBJZSDKBK-WCQYABFASA-N 0 0 304.412 0.301 10 0 DCAERN CCOCCC1(CNC(=O)C(=O)N(C)CCCO)CCCC1 ZINC000360792447 261876312 /nfs/dbraw/zinc/87/63/12/261876312.db2.gz AJGOHEKXBZWNKW-UHFFFAOYSA-N 0 0 314.426 0.930 10 0 DCAERN COc1c(NC(=O)C(=O)N[C@H]2CC2(C)C)cccc1C(N)=O ZINC000360836680 261881567 /nfs/dbraw/zinc/88/15/67/261881567.db2.gz SOFLZNAVNWJIIA-JTQLQIEISA-N 0 0 305.334 0.647 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCCC(=O)N(C)C ZINC000361767251 261959650 /nfs/dbraw/zinc/95/96/50/261959650.db2.gz WFJHJKJYQDNWMP-UHFFFAOYSA-N 0 0 323.397 0.467 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000361987631 261987760 /nfs/dbraw/zinc/98/77/60/261987760.db2.gz UBKGXFRKVSNERR-WCQYABFASA-N 0 0 307.350 0.350 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000362127146 262002310 /nfs/dbraw/zinc/00/23/10/262002310.db2.gz XQHHMSDLMBMTSA-BMIGLBTASA-N 0 0 324.381 0.138 10 0 DCAERN CC[C@@H](NC(=O)N1CCOCC[C@@H]1C)C(=O)N1CCOCC1 ZINC000362254484 262015481 /nfs/dbraw/zinc/01/54/81/262015481.db2.gz GWHGDVRHUXJYJE-QWHCGFSZSA-N 0 0 313.398 0.444 10 0 DCAERN CCS(=O)(=O)CC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000362315520 262021681 /nfs/dbraw/zinc/02/16/81/262021681.db2.gz QVTCRMYJBRTAAK-UHFFFAOYSA-N 0 0 318.351 0.247 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)C(=O)c2cnn(C)c2)no1 ZINC000362314126 262021733 /nfs/dbraw/zinc/02/17/33/262021733.db2.gz NDZQRNWKKVDUCH-UHFFFAOYSA-N 0 0 320.305 0.429 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C)n1 ZINC000362462359 262037282 /nfs/dbraw/zinc/03/72/82/262037282.db2.gz BSQWKSUHTLRLLE-MNOVXSKESA-N 0 0 322.365 0.968 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC(NC(N)=O)CC2)n1 ZINC000362704256 262062720 /nfs/dbraw/zinc/06/27/20/262062720.db2.gz POJFXGPGPOJGRQ-UHFFFAOYSA-N 0 0 321.381 0.475 10 0 DCAERN CC1(C)OC(=O)c2c1ccnc2NC[C@H](O)CN1CCOCC1 ZINC000363725096 262128749 /nfs/dbraw/zinc/12/87/49/262128749.db2.gz TXSOOHUAZDBASQ-NSHDSACASA-N 0 0 321.377 0.592 10 0 DCAERN Cc1c(-c2cc(CN3CCN4CCOC[C@@H]4C3)on2)cnn1C ZINC000363823817 262133062 /nfs/dbraw/zinc/13/30/62/262133062.db2.gz QBRZLIFZYZAYHJ-ZDUSSCGKSA-N 0 0 317.393 0.900 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCN2CCOC[C@H]2C1 ZINC000363837543 262134218 /nfs/dbraw/zinc/13/42/18/262134218.db2.gz XCFMIKDRLDGWFV-GFCCVEGCSA-N 0 0 317.345 0.174 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)Nc1cccc2c1OCCC2 ZINC000363862715 262135341 /nfs/dbraw/zinc/13/53/41/262135341.db2.gz UEPNVWAVXJQUMQ-UHFFFAOYSA-N 0 0 305.334 0.202 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCO[C@H](c2noc(C)n2)C1 ZINC000374213847 262158246 /nfs/dbraw/zinc/15/82/46/262158246.db2.gz XROWWMVMOOCCNF-WPRPVWTQSA-N 0 0 305.356 0.116 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@H]([C@H](C)O)C2)cc1 ZINC000412090594 262182172 /nfs/dbraw/zinc/18/21/72/262182172.db2.gz PRAYJVLPTVOBIW-WFASDCNBSA-N 0 0 306.362 0.909 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(c3nnc(C4CC4)s3)C2)n1 ZINC000431419558 262632806 /nfs/dbraw/zinc/63/28/06/262632806.db2.gz FOFHMYKTUWTCII-SECBINFHSA-N 0 0 319.394 0.947 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](C)C(=O)N(C)C ZINC000046827124 270941251 /nfs/dbraw/zinc/94/12/51/270941251.db2.gz IFYNBRZETCWYQB-GHMZBOCLSA-N 0 0 306.366 0.790 10 0 DCAERN CCCCS(=O)(=O)NCC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358385692 271051410 /nfs/dbraw/zinc/05/14/10/271051410.db2.gz MDCRPYWARXWGIR-UHFFFAOYSA-N 0 0 324.406 0.899 10 0 DCAERN CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C ZINC000358663320 271065160 /nfs/dbraw/zinc/06/51/60/271065160.db2.gz KCIAFCAESATIAL-NXEZZACHSA-N 0 0 317.415 0.133 10 0 DCAERN CN(C)C(=O)CNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000358791133 271072831 /nfs/dbraw/zinc/07/28/31/271072831.db2.gz NBJZHNHVBLUBCH-LLVKDONJSA-N 0 0 307.350 0.604 10 0 DCAERN COCC[C@H](C)NC(=O)C(=O)NCCc1cccc(OC)n1 ZINC000358880622 271079093 /nfs/dbraw/zinc/07/90/93/271079093.db2.gz YAXHDIZRMINFPB-NSHDSACASA-N 0 0 309.366 0.290 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](O)C(C)C ZINC000359391264 271111524 /nfs/dbraw/zinc/11/15/24/271111524.db2.gz RCQMZMIDISMJBS-CQSZACIVSA-N 0 0 321.377 0.741 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@@H](O)COCC2CC2)cn1 ZINC000359596156 271129212 /nfs/dbraw/zinc/12/92/12/271129212.db2.gz PYCLCPTWYOYZHE-CYBMUJFWSA-N 0 0 323.393 0.725 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610277 271131960 /nfs/dbraw/zinc/13/19/60/271131960.db2.gz MMKOWSLYAARYDB-JQWIXIFHSA-N 0 0 304.412 0.199 10 0 DCAERN C/C=C\C[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)OCC ZINC000440089636 271648525 /nfs/dbraw/zinc/64/85/25/271648525.db2.gz DQRPLVUNENKHRO-USEMIUTHSA-N 0 0 302.352 0.992 10 0 DCAERN CC(=O)N1CCN(Cc2nnn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000440760268 271657170 /nfs/dbraw/zinc/65/71/70/271657170.db2.gz CYIQAVYVRFLAHJ-QMMMGPOBSA-N 0 0 306.292 0.288 10 0 DCAERN CN(CCCO)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000441908676 271661837 /nfs/dbraw/zinc/66/18/37/271661837.db2.gz YRVPAJGKVFGRIV-UHFFFAOYSA-N 0 0 300.380 0.614 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c(C)n1 ZINC000442079637 271663939 /nfs/dbraw/zinc/66/39/39/271663939.db2.gz LIHFXGKRMKEJHH-GFCCVEGCSA-N 0 0 323.418 0.963 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N2CCSC[C@H]2CCO)CC1 ZINC000442713422 271680304 /nfs/dbraw/zinc/68/03/04/271680304.db2.gz WPIPQEIKBHJPRQ-GIGQVBGESA-N 0 0 306.453 0.407 10 0 DCAERN CCOC1CC(O)(CNC(=O)NCCc2cccc(OC)n2)C1 ZINC000445114744 271744990 /nfs/dbraw/zinc/74/49/90/271744990.db2.gz MAZQHMBCTMSKFW-UHFFFAOYSA-N 0 0 323.393 0.862 10 0 DCAERN CCCn1ncnc1CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000447880938 271804237 /nfs/dbraw/zinc/80/42/37/271804237.db2.gz XBLLQNLFJDIPGM-UHFFFAOYSA-N 0 0 309.414 0.757 10 0 DCAERN COC(=O)c1sc(NC(=O)CN2CCOCC2=O)nc1C ZINC000447965815 271810848 /nfs/dbraw/zinc/81/08/48/271810848.db2.gz QDFIWFNUASYVSE-UHFFFAOYSA-N 0 0 313.335 0.035 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccccc2O)CC12COC2 ZINC000452251623 271912462 /nfs/dbraw/zinc/91/24/62/271912462.db2.gz CUEIDUBEQDFVBI-CYBMUJFWSA-N 0 0 319.357 0.973 10 0 DCAERN CS[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000458390763 271954452 /nfs/dbraw/zinc/95/44/52/271954452.db2.gz HBNXOCPFEVKXQA-IJLUTSLNSA-N 0 0 313.427 0.612 10 0 DCAERN COc1cc(C)ccc1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458561809 271962819 /nfs/dbraw/zinc/96/28/19/271962819.db2.gz RIPKYXPLQRLBAN-CYBMUJFWSA-N 0 0 319.365 0.455 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)O)C1 ZINC000458555754 271963280 /nfs/dbraw/zinc/96/32/80/271963280.db2.gz YTYAAVBUDUBOCH-WDEREUQCSA-N 0 0 300.403 0.639 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cc(COC)on2)CC12COC2 ZINC000459562242 272000759 /nfs/dbraw/zinc/00/07/59/272000759.db2.gz FQFNJPPGMFZSMZ-CYBMUJFWSA-N 0 0 310.350 0.833 10 0 DCAERN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@@H](O)[C@H](CO)C1 ZINC000459681645 272003496 /nfs/dbraw/zinc/00/34/96/272003496.db2.gz QWCUTOVFJVTRMK-KDDOJWQBSA-N 0 0 317.744 0.978 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)CSCC(=O)N[C@H](C)[C@H](C)OC ZINC000461268236 272025445 /nfs/dbraw/zinc/02/54/45/272025445.db2.gz AQFUQHNFVBZMDD-WYUUTHIRSA-N 0 0 320.455 0.799 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000461267330 272025800 /nfs/dbraw/zinc/02/58/00/272025800.db2.gz BVDBJTGJFQLOAN-BBBLOLIVSA-N 0 0 320.436 0.955 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000471691254 272029616 /nfs/dbraw/zinc/02/96/16/272029616.db2.gz AEMIFDMJZOQKFC-MNOVXSKESA-N 0 0 311.382 0.781 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1CCSCC1 ZINC000487109552 272037936 /nfs/dbraw/zinc/03/79/36/272037936.db2.gz HQAXBFJJWWEGCI-ZJUUUORDSA-N 0 0 316.423 0.702 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N[C@@H]1C=C[C@H](CO)C1 ZINC000489452535 272062773 /nfs/dbraw/zinc/06/27/73/272062773.db2.gz VFCZLUHWUNCMGN-QWHCGFSZSA-N 0 0 315.377 0.898 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000491872482 272108113 /nfs/dbraw/zinc/10/81/13/272108113.db2.gz PLCBPQNETFZETJ-UHFFFAOYSA-N 0 0 321.443 0.142 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccncc1 ZINC000492274242 272120082 /nfs/dbraw/zinc/12/00/82/272120082.db2.gz MCKKOSXNTLDGAA-QWRGUYRKSA-N 0 0 322.365 0.337 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccoc1 ZINC000495161720 272239996 /nfs/dbraw/zinc/23/99/96/272239996.db2.gz YBRBXCLPDOWSLE-UWVGGRQHSA-N 0 0 311.338 0.535 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)NCc1ccccc1OCCO ZINC000495232676 272242355 /nfs/dbraw/zinc/24/23/55/272242355.db2.gz SZDUWNALBPXTSM-JSGCOSHPSA-N 0 0 308.378 0.970 10 0 DCAERN Cc1nc([C@](C)(NC(=O)CN(C)S(C)(=O)=O)C2CC2)no1 ZINC000514593139 272399747 /nfs/dbraw/zinc/39/97/47/272399747.db2.gz JSFPGXAKTIQXFR-GFCCVEGCSA-N 0 0 316.383 0.011 10 0 DCAERN Cc1cc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)n(C)n1 ZINC000514743665 272406324 /nfs/dbraw/zinc/40/63/24/272406324.db2.gz CNOIEXJXOQXYND-LBPRGKRZSA-N 0 0 303.370 0.963 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)CCNS(C)(=O)=O ZINC000518767692 272490820 /nfs/dbraw/zinc/49/08/20/272490820.db2.gz LRUPCQKTQBQVQL-LBPRGKRZSA-N 0 0 314.411 0.413 10 0 DCAERN NS(=O)(=O)c1cccnc1NC[C@H](CO)c1ccccc1 ZINC000531153557 272756233 /nfs/dbraw/zinc/75/62/33/272756233.db2.gz XOZSOVIOJRIOQM-GFCCVEGCSA-N 0 0 307.375 0.917 10 0 DCAERN CN(CC(=O)Nc1nc2c(s1)CCCC2)Cc1nnnn1C ZINC000533022651 272799116 /nfs/dbraw/zinc/79/91/16/272799116.db2.gz HTYISLRNBHPMBV-UHFFFAOYSA-N 0 0 321.410 0.616 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185180691 287670939 /nfs/dbraw/zinc/67/09/39/287670939.db2.gz ZUXQWDNNGOGWHY-MWLCHTKSSA-N 0 0 301.350 0.694 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000333057156 274439467 /nfs/dbraw/zinc/43/94/67/274439467.db2.gz MNFWPGDEJKENTB-ZYHUDNBSSA-N 0 0 318.381 0.368 10 0 DCAERN CCC1(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCC1 ZINC000174927049 275965300 /nfs/dbraw/zinc/96/53/00/275965300.db2.gz MEGIOLCHHXGIQB-UHFFFAOYSA-N 0 0 316.361 0.695 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)c3ccnnc3)CC2)n1 ZINC000131531241 276384410 /nfs/dbraw/zinc/38/44/10/276384410.db2.gz GAODHHJPMQOBED-UHFFFAOYSA-N 0 0 314.349 0.628 10 0 DCAERN O=C(NCCN1CCSCC1)N1CCSC[C@H]1CCO ZINC000539312889 287889682 /nfs/dbraw/zinc/88/96/82/287889682.db2.gz BYPLEQPPMYMRAN-GFCCVEGCSA-N 0 0 319.496 0.545 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@]2(CCOC2)O1 ZINC000408325783 276659517 /nfs/dbraw/zinc/65/95/17/276659517.db2.gz DZROHMMXWNOVQL-ZUZCIYMTSA-N 0 0 308.334 0.789 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2nnc(C)s2)C1 ZINC000540936100 287910956 /nfs/dbraw/zinc/91/09/56/287910956.db2.gz MESIQWTWZZPBPK-SECBINFHSA-N 0 0 312.399 0.450 10 0 DCAERN CN1CCC(=O)Nc2cc(C(=O)NN3CCOCC3)ccc21 ZINC000175030291 277023767 /nfs/dbraw/zinc/02/37/67/277023767.db2.gz QTLVUYRLCVAADK-UHFFFAOYSA-N 0 0 304.350 0.442 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CSCN2C(C)=O)C[C@H]1C ZINC000408183897 277224742 /nfs/dbraw/zinc/22/47/42/277224742.db2.gz URUHLLYUKLMQSC-DGCLKSJQSA-N 0 0 315.439 0.087 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000408135844 277235917 /nfs/dbraw/zinc/23/59/17/277235917.db2.gz ZFXSBJVTRHYZLG-QJPTWQEYSA-N 0 0 303.424 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCS1(=O)=O ZINC000408234452 287949036 /nfs/dbraw/zinc/94/90/36/287949036.db2.gz FOVXXJIZMOFNQF-KOLCDFICSA-N 0 0 312.395 0.096 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000188899277 277280894 /nfs/dbraw/zinc/28/08/94/277280894.db2.gz HTRSXZDZOFINAH-ZETCQYMHSA-N 0 0 303.409 0.753 10 0 DCAERN CC(=O)N(C[C@@H]1CCCN1C(=O)C1CN(C(C)=O)C1)C1CC1 ZINC000373753430 277971236 /nfs/dbraw/zinc/97/12/36/277971236.db2.gz JPQGOOVIKWWSDK-HNNXBMFYSA-N 0 0 307.394 0.467 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408064956 278007334 /nfs/dbraw/zinc/00/73/34/278007334.db2.gz MUPZUUPGORCAMW-KLHDSHLOSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1c1cccn1C ZINC000373329976 278023447 /nfs/dbraw/zinc/02/34/47/278023447.db2.gz AVMCUFUOCISWPO-LSDHHAIUSA-N 0 0 305.378 0.936 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC3(CCOCC3)[C@@H]2C)C1 ZINC000408055963 278031096 /nfs/dbraw/zinc/03/10/96/278031096.db2.gz YYIZCOFJNXRQKK-SUMWQHHRSA-N 0 0 324.421 0.777 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000546731817 288028716 /nfs/dbraw/zinc/02/87/16/288028716.db2.gz RGKHGAZLFHSYKB-CHWSQXEVSA-N 0 0 315.439 0.802 10 0 DCAERN Cc1cc(NC(=O)N[C@H]2CCCN(CCO)C2=O)c(C)cn1 ZINC000546742732 288030006 /nfs/dbraw/zinc/03/00/06/288030006.db2.gz XLEBNWAUVPVTPZ-LBPRGKRZSA-N 0 0 306.366 0.225 10 0 DCAERN O=C(CCC(=O)N1CCC(O)CC1)Nc1nnc(C2CCC2)[nH]1 ZINC000546864392 288033104 /nfs/dbraw/zinc/03/31/04/288033104.db2.gz HQXAAXFWOAEAQH-UHFFFAOYSA-N 0 0 321.381 0.774 10 0 DCAERN CC(C)(C)N1C[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000407960136 278347713 /nfs/dbraw/zinc/34/77/13/278347713.db2.gz VDLAVYGKMMUXEC-NSHDSACASA-N 0 0 307.394 0.467 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@@H]2COCc3ccccc32)CC1 ZINC000333599760 278398627 /nfs/dbraw/zinc/39/86/27/278398627.db2.gz WHPLJNSGYBVURH-CZUORRHYSA-N 0 0 319.405 0.966 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)N[C@H]2COCc3ccccc32)CC1 ZINC000333599759 278399014 /nfs/dbraw/zinc/39/90/14/278399014.db2.gz WHPLJNSGYBVURH-CJNGLKHVSA-N 0 0 319.405 0.966 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000547434377 288045864 /nfs/dbraw/zinc/04/58/64/288045864.db2.gz XLOQSPAQWKZYLD-VIFPVBQESA-N 0 0 319.408 0.626 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000547438923 288045873 /nfs/dbraw/zinc/04/58/73/288045873.db2.gz LOAGSIPHKGAJNG-GHMZBOCLSA-N 0 0 310.441 0.272 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCCS1(=O)=O ZINC000547475976 288050445 /nfs/dbraw/zinc/05/04/45/288050445.db2.gz XSGRKLKFNBSDSS-RYUDHWBXSA-N 0 0 317.407 0.896 10 0 DCAERN CCCCn1nnnc1CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000547642212 288064151 /nfs/dbraw/zinc/06/41/51/288064151.db2.gz QNECSONXBMCUKE-UHFFFAOYSA-N 0 0 324.429 0.542 10 0 DCAERN O=C(CN1CCOCC1=O)NCCc1c[nH]c2ncccc12 ZINC000547736547 288074260 /nfs/dbraw/zinc/07/42/60/288074260.db2.gz QWCCFMSTQRSCAO-UHFFFAOYSA-N 0 0 302.334 0.080 10 0 DCAERN Cc1nc(N(C)C)nc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1 ZINC000547958697 288095976 /nfs/dbraw/zinc/09/59/76/288095976.db2.gz JMEZVCOIHGBYKR-LLVKDONJSA-N 0 0 306.414 0.939 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000407989329 288105226 /nfs/dbraw/zinc/10/52/26/288105226.db2.gz JFOWGYDMTPCCEP-KBPBESRZSA-N 0 0 311.426 0.160 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000131316502 279144009 /nfs/dbraw/zinc/14/40/09/279144009.db2.gz KZRBHMMKVPRVSK-SNVBAGLBSA-N 0 0 302.338 0.031 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(Cn2cncn2)cc1 ZINC000548060181 288107613 /nfs/dbraw/zinc/10/76/13/288107613.db2.gz SCWYBSCPILDUMQ-UHFFFAOYSA-N 0 0 315.333 0.124 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCN2C1=O ZINC000364175368 279250732 /nfs/dbraw/zinc/25/07/32/279250732.db2.gz IIULLSVQHPMKCY-QNWHQSFQSA-N 0 0 305.378 0.918 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccnn1[C@@H](C)C1CC1)S(N)(=O)=O ZINC000548504304 288149296 /nfs/dbraw/zinc/14/92/96/288149296.db2.gz MQWAYJIMMNVHQW-IUCAKERBSA-N 0 0 315.399 0.653 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCNC(=O)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000068465432 279769280 /nfs/dbraw/zinc/76/92/80/279769280.db2.gz VTQNOZZTUBFNCD-NFAWXSAZSA-N 0 0 311.426 0.469 10 0 DCAERN CCOC(=O)CN(CC)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000548715345 288169757 /nfs/dbraw/zinc/16/97/57/288169757.db2.gz MAFPVOIYKZNUFR-OAHLLOKOSA-N 0 0 310.350 0.011 10 0 DCAERN COc1nn(C)cc1NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000548746953 288172778 /nfs/dbraw/zinc/17/27/78/288172778.db2.gz ITNFFZOZRAJSEM-QMTHXVAHSA-N 0 0 310.354 0.840 10 0 DCAERN Cn1cc(OCC(=O)NCCc2cn3c(n2)CCCC3)cn1 ZINC000548873084 288183526 /nfs/dbraw/zinc/18/35/26/288183526.db2.gz KPEGGWNZYTWHHN-UHFFFAOYSA-N 0 0 303.366 0.691 10 0 DCAERN Cc1nnc(N2CCC[C@@]3(CNC(=O)C3)C2)n1C[C@@H]1CCOC1 ZINC000550094402 288210229 /nfs/dbraw/zinc/21/02/29/288210229.db2.gz NNLDKOZPNLKCAG-XJKSGUPXSA-N 0 0 319.409 0.730 10 0 DCAERN O=C1NC(=O)[C@]2(CCCN(c3nc(C(F)(F)F)ns3)C2)N1 ZINC000367826696 280280698 /nfs/dbraw/zinc/28/06/98/280280698.db2.gz PJUUUABDVGGIFF-SECBINFHSA-N 0 0 321.284 0.735 10 0 DCAERN CC[C@H]1CC[C@H](C)N1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000373829176 288243345 /nfs/dbraw/zinc/24/33/45/288243345.db2.gz QFDXKPARQDOVLE-ZDEQEGDKSA-N 0 0 318.439 0.825 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCc4cncnc4C3)C2=O)n(C)n1 ZINC000333108241 280568937 /nfs/dbraw/zinc/56/89/37/280568937.db2.gz RNDPYWXDCXEXFQ-CQSZACIVSA-N 0 0 312.377 0.682 10 0 DCAERN CC(C)c1ccccc1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092230689 280641946 /nfs/dbraw/zinc/64/19/46/280641946.db2.gz UHSQMFHHOHPXGY-AWEZNQCLSA-N 0 0 305.378 0.935 10 0 DCAERN O=S(=O)(N1CCC1)N1CCO[C@H](COc2ccccc2)C1 ZINC000552098352 288264468 /nfs/dbraw/zinc/26/44/68/288264468.db2.gz YLPWFJKBZIOXFD-AWEZNQCLSA-N 0 0 312.391 0.717 10 0 DCAERN CC1(C)CN(C(=O)CNCC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000373703086 281164663 /nfs/dbraw/zinc/16/46/63/281164663.db2.gz SGAPSOLPVWNCCD-GFCCVEGCSA-N 0 0 310.316 0.935 10 0 DCAERN CC[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@H](C)S1(=O)=O ZINC000553797185 288307437 /nfs/dbraw/zinc/30/74/37/288307437.db2.gz CSNFLOZKYMPMBI-JQWIXIFHSA-N 0 0 315.395 0.223 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408384162 281249191 /nfs/dbraw/zinc/24/91/91/281249191.db2.gz YTRDFMRWJWDDDS-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000277132942 281249838 /nfs/dbraw/zinc/24/98/38/281249838.db2.gz OWXSVUAOTWAAQG-GXTWGEPZSA-N 0 0 305.378 0.870 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCC(C2CCOCC2)CC1 ZINC000554559811 288328663 /nfs/dbraw/zinc/32/86/63/288328663.db2.gz JNHWLXVYMAVOIL-UHFFFAOYSA-N 0 0 318.439 0.591 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248816 281885786 /nfs/dbraw/zinc/88/57/86/281885786.db2.gz XETQWOFZAKYJQD-GUYCJALGSA-N 0 0 321.421 0.906 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000556731759 288388719 /nfs/dbraw/zinc/38/87/19/288388719.db2.gz WUJIQOSQUBKPSD-RYUDHWBXSA-N 0 0 306.366 0.594 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCO1 ZINC000557350138 288418083 /nfs/dbraw/zinc/41/80/83/288418083.db2.gz OPYZSBDAALEHMJ-GFCCVEGCSA-N 0 0 302.334 0.910 10 0 DCAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000329505114 288898067 /nfs/dbraw/zinc/89/80/67/288898067.db2.gz ILWRRVODPSKFGC-FVQBIDKESA-N 0 0 318.373 0.832 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000408187736 289231390 /nfs/dbraw/zinc/23/13/90/289231390.db2.gz PZCOMYRYGJCBON-RAIGVLPGSA-N 0 0 316.423 0.342 10 0 DCAERN CN(CC(C)(C)O)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000176474329 289522244 /nfs/dbraw/zinc/52/22/44/289522244.db2.gz WXCDSBBBCBIANO-GXTWGEPZSA-N 0 0 305.378 0.830 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@@H](c2ccccc2)C1 ZINC000248982446 290021530 /nfs/dbraw/zinc/02/15/30/290021530.db2.gz VWSYHSHETTXCLT-ILXRZTDVSA-N 0 0 317.389 0.535 10 0 DCAERN CN1CCN(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000408218205 290040324 /nfs/dbraw/zinc/04/03/24/290040324.db2.gz PWNLPMRHWIHVCH-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C[C@@H]21 ZINC000284698545 290082567 /nfs/dbraw/zinc/08/25/67/290082567.db2.gz OIDOUVOADNYFHQ-BYCMXARLSA-N 0 0 304.394 0.761 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccon3)[C@@H]2C1 ZINC000407989009 293784492 /nfs/dbraw/zinc/78/44/92/293784492.db2.gz FHLINEZLEGXCDP-UPJWGTAASA-N 0 0 316.379 0.773 10 0 DCAERN Cc1nn(C)cc1NC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000189669358 293784374 /nfs/dbraw/zinc/78/43/74/293784374.db2.gz GPUFCNKTHSIUPD-UHFFFAOYSA-N 0 0 319.365 0.922 10 0 DCAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784753 294157416 /nfs/dbraw/zinc/15/74/16/294157416.db2.gz CJQVWWQDWZBTFI-MRVPVSSYSA-N 0 0 306.149 0.658 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cncc(Br)c1 ZINC000162948706 295159839 /nfs/dbraw/zinc/15/98/39/295159839.db2.gz HAJOYIWYJDBKAM-SNVBAGLBSA-N 0 0 300.156 0.530 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000190539180 297602271 /nfs/dbraw/zinc/60/22/71/297602271.db2.gz JUMFLWVLVAHBEZ-AAEUAGOBSA-N 0 0 316.423 0.438 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000189968786 297603910 /nfs/dbraw/zinc/60/39/10/297603910.db2.gz ZPVDCYGTLSJFAV-UWVGGRQHSA-N 0 0 316.345 0.674 10 0 DCAERN C[C@H](C(=O)N1CCC[C@](F)(CO)C1)n1nnnc1C(C)(C)C ZINC000376576361 298043651 /nfs/dbraw/zinc/04/36/51/298043651.db2.gz ZSUPEDXLQADZBC-QMTHXVAHSA-N 0 0 313.377 0.855 10 0 DCAERN C[C@H](C(=O)N1CCOCC[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000367633789 298058078 /nfs/dbraw/zinc/05/80/78/298058078.db2.gz NLPGUYOTYDFBOP-VXGBXAGGSA-N 0 0 323.393 0.877 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@@H](C)NC3=S)C2=O)n(C)n1 ZINC000174448048 301335076 /nfs/dbraw/zinc/33/50/76/301335076.db2.gz XJXPUVQECMOSLV-NXEZZACHSA-N 0 0 321.406 0.329 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)c2n1 ZINC000131525938 302263148 /nfs/dbraw/zinc/26/31/48/302263148.db2.gz HQRKHCRHGLMBIF-OLZOCXBDSA-N 0 0 313.361 0.921 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408068845 302396671 /nfs/dbraw/zinc/39/66/71/302396671.db2.gz YDSKAPKFFQFLQS-NXEZZACHSA-N 0 0 300.384 0.003 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](N2C(=O)CN(C)C2=O)CC(=O)N1C ZINC000330347873 302780582 /nfs/dbraw/zinc/78/05/82/302780582.db2.gz IEEXETJILVEISA-QMTHXVAHSA-N 0 0 319.365 0.203 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1sccc1Br ZINC000091783974 303334231 /nfs/dbraw/zinc/33/42/31/303334231.db2.gz BEMUBEGVLYARLB-SSDOTTSWSA-N 0 0 319.180 0.837 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@H]1CCCC12OCCO2 ZINC000375088740 303730882 /nfs/dbraw/zinc/73/08/82/303730882.db2.gz GEMKNEUITJFTJI-CHWSQXEVSA-N 0 0 308.378 0.799 10 0 DCAERN O=C(Nc1c(F)cccc1F)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000574905175 332846094 /nfs/dbraw/zinc/84/60/94/332846094.db2.gz SXEKIHUNOHHNEO-DTORHVGOSA-N 0 0 312.272 0.530 10 0 DCAERN O=C(CCNC(=O)c1cccs1)N1CCO[C@@]2(CCOC2)C1 ZINC000186060934 332910542 /nfs/dbraw/zinc/91/05/42/332910542.db2.gz RKPFTIYDEGNGRM-HNNXBMFYSA-N 0 0 324.402 0.886 10 0 DCAERN CN(C(=O)NC[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188182023 333037861 /nfs/dbraw/zinc/03/78/61/333037861.db2.gz PHHBIVBKLOMATB-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nccn1CCCCNC(=O)NCCCn1ccnn1 ZINC000182756325 333180187 /nfs/dbraw/zinc/18/01/87/333180187.db2.gz VFQSLWRJXQOBPT-UHFFFAOYSA-N 0 0 305.386 0.953 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCOCC1CCC1 ZINC000582520595 337100126 /nfs/dbraw/zinc/10/01/26/337100126.db2.gz MINIXCGZVXHVLE-NSHDSACASA-N 0 0 306.428 0.878 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCCO)c1 ZINC000582644907 337119933 /nfs/dbraw/zinc/11/99/33/337119933.db2.gz PXTKRWKCHCLAHS-UHFFFAOYSA-N 0 0 307.350 0.216 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ncsc2Br)C1 ZINC000582735801 337127718 /nfs/dbraw/zinc/12/77/18/337127718.db2.gz LZKVBWWSVILPTJ-UHFFFAOYSA-N 0 0 304.169 0.724 10 0 DCAERN Cc1oc(Br)cc1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000396748942 337242075 /nfs/dbraw/zinc/24/20/75/337242075.db2.gz ROJFGWZGNMFTIU-SVRRBLITSA-N 0 0 317.139 0.411 10 0 DCAERN CC(=O)N1CC(c2cc(I)nn2C)C1 ZINC000584613550 337372572 /nfs/dbraw/zinc/37/25/72/337372572.db2.gz SGNHGPDQPIEWBN-UHFFFAOYSA-N 0 0 305.119 0.970 10 0 DCAERN CCOC(=O)c1csc(CCNc2nccn3nnnc23)n1 ZINC000575228989 341787957 /nfs/dbraw/zinc/78/79/57/341787957.db2.gz QYICQXRMXDKLOH-UHFFFAOYSA-N 0 0 319.350 0.807 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1nnnn1-c1ccccc1 ZINC000576046861 341822519 /nfs/dbraw/zinc/82/25/19/341822519.db2.gz VQDFCPBMWKDHEE-NSHDSACASA-N 0 0 322.394 0.481 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N(CCO)C(C)C)c1 ZINC000576506075 341849619 /nfs/dbraw/zinc/84/96/19/341849619.db2.gz OGWBSXDAANAJMI-UHFFFAOYSA-N 0 0 315.395 0.829 10 0 DCAERN Cc1cccc(CNC(=O)c2ccc(CNS(C)(=O)=O)o2)n1 ZINC000176564475 341888320 /nfs/dbraw/zinc/88/83/20/341888320.db2.gz PVTPBFTXWCGEKS-UHFFFAOYSA-N 0 0 323.374 0.962 10 0 DCAERN CSC[C@H](C)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328654396 533765843 /nfs/dbraw/zinc/76/58/43/533765843.db2.gz XJMMWCHBODWMDB-QWRGUYRKSA-N 0 0 303.428 0.680 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)Cc1cnnn1C ZINC000328597108 534298770 /nfs/dbraw/zinc/29/87/70/534298770.db2.gz DNTZRJZHZLMTAY-VXGBXAGGSA-N 0 0 321.425 0.852 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCOC[C@@H]1C ZINC000192646081 518061670 /nfs/dbraw/zinc/06/16/70/518061670.db2.gz ZTXMWOWAFOSMLS-MJBXVCDLSA-N 0 0 314.426 0.953 10 0 DCAERN C/C(=C\C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C1CC1 ZINC000365686710 518420669 /nfs/dbraw/zinc/42/06/69/518420669.db2.gz BFJXEFNTFYFTGF-VAWYXSNFSA-N 0 0 315.439 0.683 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)C1 ZINC000365077523 519495104 /nfs/dbraw/zinc/49/51/04/519495104.db2.gz KTDRKIOJBCVLDA-AWEZNQCLSA-N 0 0 304.394 0.916 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C1 ZINC000191347243 519647426 /nfs/dbraw/zinc/64/74/26/519647426.db2.gz OOQYAFBLCFYWTB-UHFFFAOYSA-N 0 0 310.741 0.329 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCOc2ccc(F)c(F)c2)C1 ZINC000190052229 519648379 /nfs/dbraw/zinc/64/83/79/519648379.db2.gz SALRSDCUSCMHRG-UHFFFAOYSA-N 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MBGWHGDZHNUVKC-UHFFFAOYSA-N 0 0 300.278 0.743 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000189155816 521261172 /nfs/dbraw/zinc/26/11/72/521261172.db2.gz DXSNENZNBPWRTR-VIFPVBQESA-N 0 0 320.271 0.958 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[C@@H](C)O ZINC000228070276 521567915 /nfs/dbraw/zinc/56/79/15/521567915.db2.gz TWHOVWGBSWBLAJ-MRVPVSSYSA-N 0 0 305.356 0.026 10 0 DCAERN CCN1CCCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000190166228 521614151 /nfs/dbraw/zinc/61/41/51/521614151.db2.gz HJABUSQNDATXNA-ZDUSSCGKSA-N 0 0 319.409 0.388 10 0 DCAERN CCS(=O)(=O)CCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159347197 521641082 /nfs/dbraw/zinc/64/10/82/521641082.db2.gz GEIIYUXAKTTZHE-STQMWFEESA-N 0 0 317.407 0.839 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cccc3cnccc32)CC1=O ZINC000191516706 521725171 /nfs/dbraw/zinc/72/51/71/521725171.db2.gz BPCUQLFDPWEDLG-UHFFFAOYSA-N 0 0 312.329 0.822 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000188168995 522193882 /nfs/dbraw/zinc/19/38/82/522193882.db2.gz DSPRJCMSDNQICY-NSHDSACASA-N 0 0 315.399 0.196 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NCC1(CCO)CC1 ZINC000157289444 522289718 /nfs/dbraw/zinc/28/97/18/522289718.db2.gz YRZDGJUDEGYNLI-UHFFFAOYSA-N 0 0 313.375 0.914 10 0 DCAERN CC[C@H](NC(=O)c1cnn2c1CCCC2)C(=O)N1CCOCC1 ZINC000127457849 522551838 /nfs/dbraw/zinc/55/18/38/522551838.db2.gz BMQKQIHSBPFHHZ-ZDUSSCGKSA-N 0 0 320.393 0.587 10 0 DCAERN COc1cc(F)ccc1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000129531246 522601490 /nfs/dbraw/zinc/60/14/90/522601490.db2.gz HBVRVVZVCPUDRW-UHFFFAOYSA-N 0 0 322.296 0.823 10 0 DCAERN COC[C@H](C)S(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000190182595 522642223 /nfs/dbraw/zinc/64/22/23/522642223.db2.gz JEXDMVVGFXOKAY-NSHDSACASA-N 0 0 324.406 0.969 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000129226912 522717822 /nfs/dbraw/zinc/71/78/22/522717822.db2.gz KETOKJPIKWHTKV-LBPRGKRZSA-N 0 0 324.381 0.264 10 0 DCAERN COc1cc(S(=O)(=O)NC(C)(C)CC(N)=O)ccc1F ZINC000190861596 522893911 /nfs/dbraw/zinc/89/39/11/522893911.db2.gz SDRWBVCYOCHJCU-UHFFFAOYSA-N 0 0 304.343 0.767 10 0 DCAERN COc1cc(S(=O)(=O)N(C)CC(=O)NC(C)C)ccc1F ZINC000190464241 522894436 /nfs/dbraw/zinc/89/44/36/522894436.db2.gz YTQUXCUMTDIXFN-UHFFFAOYSA-N 0 0 318.370 0.979 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)ccc1F ZINC000190857408 522897866 /nfs/dbraw/zinc/89/78/66/522897866.db2.gz IVRURJWPFJLRAL-DCXZOGHSSA-N 0 0 309.384 0.880 10 0 DCAERN COC(=O)CCNC(=O)CN1CCO[C@H](c2cccs2)C1 ZINC000157896242 523093133 /nfs/dbraw/zinc/09/31/33/523093133.db2.gz ZVMHSFBRPSPDTP-NSHDSACASA-N 0 0 312.391 0.801 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CN3CCCCC3=O)CCO2)cn1 ZINC000191730436 523464562 /nfs/dbraw/zinc/46/45/62/523464562.db2.gz GVNCGXHWFHYTIM-AWEZNQCLSA-N 0 0 320.393 0.815 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)NCCCOC)CCO2)cn1 ZINC000190810068 523481824 /nfs/dbraw/zinc/48/18/24/523481824.db2.gz DFWACTLSTVKVHO-CQSZACIVSA-N 0 0 310.398 0.429 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1cnn2ccc(C)nc12 ZINC000112921291 523641410 /nfs/dbraw/zinc/64/14/10/523641410.db2.gz CMEISSRRIAAIAY-UHFFFAOYSA-N 0 0 319.365 0.215 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3nc(N)nc(N(C)C)n3)[C@H]2C1 ZINC000158476295 523711376 /nfs/dbraw/zinc/71/13/76/523711376.db2.gz VYEVSGMPGNEPAX-WOPDTQHZSA-N 0 0 322.413 0.288 10 0 DCAERN CCc1cc(N2CCC[C@@H](NC(=O)N3CC(CO)C3)C2)ncn1 ZINC000188890803 523793764 /nfs/dbraw/zinc/79/37/64/523793764.db2.gz QELMOKNCRRUSLF-CQSZACIVSA-N 0 0 319.409 0.642 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000189573814 523813376 /nfs/dbraw/zinc/81/33/76/523813376.db2.gz OKAKSBDFXZAJNX-CABCVRRESA-N 0 0 316.361 0.766 10 0 DCAERN COCCN1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@H]1C ZINC000105913905 523858876 /nfs/dbraw/zinc/85/88/76/523858876.db2.gz OSUJYLLANQYZRU-MNOVXSKESA-N 0 0 311.348 0.706 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000127726693 523869407 /nfs/dbraw/zinc/86/94/07/523869407.db2.gz NAJLECOGAROQIS-SNVBAGLBSA-N 0 0 306.322 0.767 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)NCc2ccnn2C)CCCC1 ZINC000113373781 523970224 /nfs/dbraw/zinc/97/02/24/523970224.db2.gz SLZZIFLOOKDCQK-UHFFFAOYSA-N 0 0 307.398 0.868 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@@H]1C ZINC000191312774 524004477 /nfs/dbraw/zinc/00/44/77/524004477.db2.gz GDVFPBFMSZOHGA-JQWIXIFHSA-N 0 0 307.350 0.207 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cnn2c1CCCC2 ZINC000126749345 524013847 /nfs/dbraw/zinc/01/38/47/524013847.db2.gz KYACGOVLPQAXRR-LBPRGKRZSA-N 0 0 308.407 0.823 10 0 DCAERN CN1C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)CCC1=O ZINC000130981956 524022222 /nfs/dbraw/zinc/02/22/22/524022222.db2.gz XPKLKOPDAHHORY-CYBMUJFWSA-N 0 0 321.352 0.221 10 0 DCAERN CNC(=O)[C@@H]1CN(S(=O)(=O)CC2CC2)c2ccccc2O1 ZINC000267209589 524088063 /nfs/dbraw/zinc/08/80/63/524088063.db2.gz OHNFFCGPDNIBTO-ZDUSSCGKSA-N 0 0 310.375 0.740 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC000188673104 524312625 /nfs/dbraw/zinc/31/26/25/524312625.db2.gz POROXBXCQXYHDH-OTYXRUKQSA-N 0 0 324.352 0.726 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 ZINC000266264479 524522379 /nfs/dbraw/zinc/52/23/79/524522379.db2.gz YNGDOGPULLTEMW-JQWIXIFHSA-N 0 0 323.418 0.640 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC000138782358 524536877 /nfs/dbraw/zinc/53/68/77/524536877.db2.gz IUQWYPRDPWLUMH-NSHDSACASA-N 0 0 320.393 0.837 10 0 DCAERN C[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCS1(=O)=O ZINC000155672661 524581399 /nfs/dbraw/zinc/58/13/99/524581399.db2.gz VIOVJXZCJNSZHW-JTQLQIEISA-N 0 0 300.424 0.410 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000151956129 524811666 /nfs/dbraw/zinc/81/16/66/524811666.db2.gz BWQZPVGHNYLQLO-RYUDHWBXSA-N 0 0 314.407 0.488 10 0 DCAERN CS(=O)(=O)CCc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000133784932 525134538 /nfs/dbraw/zinc/13/45/38/525134538.db2.gz YNAXEOKDBFMTEY-LLVKDONJSA-N 0 0 310.375 0.348 10 0 DCAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCCC[C@H]1C ZINC000154627211 525194578 /nfs/dbraw/zinc/19/45/78/525194578.db2.gz MLUJXDLIQQGPPV-MNOVXSKESA-N 0 0 320.393 0.643 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000116834690 525208420 /nfs/dbraw/zinc/20/84/20/525208420.db2.gz JCYKFYAYCHCVLS-CYBMUJFWSA-N 0 0 308.403 0.868 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cccc(F)c2)C1 ZINC000116929911 525212626 /nfs/dbraw/zinc/21/26/26/525212626.db2.gz IWVMHWLKBNUMSG-NSHDSACASA-N 0 0 301.343 0.981 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000116930014 525213133 /nfs/dbraw/zinc/21/31/33/525213133.db2.gz IWAQDRLAAAYQTA-VIFPVBQESA-N 0 0 301.343 0.981 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)sc1Cl ZINC000188147585 525399212 /nfs/dbraw/zinc/39/92/12/525399212.db2.gz POYKOYNFSJQNIB-SSDOTTSWSA-N 0 0 324.811 0.585 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)o1 ZINC000127463438 525400275 /nfs/dbraw/zinc/40/02/75/525400275.db2.gz NWBUWZWIWRUHMD-VIFPVBQESA-N 0 0 307.393 0.704 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000126606429 525490706 /nfs/dbraw/zinc/49/07/06/525490706.db2.gz GAKPAGYTNOTEAJ-JTQLQIEISA-N 0 0 314.411 0.479 10 0 DCAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000129263696 525491342 /nfs/dbraw/zinc/49/13/42/525491342.db2.gz PVAZHFBLTCBINJ-NEPJUHHUSA-N 0 0 324.402 0.410 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186185602 525760672 /nfs/dbraw/zinc/76/06/72/525760672.db2.gz QMCLOEJPXOPQPZ-LLVKDONJSA-N 0 0 323.397 0.951 10 0 DCAERN C[C@@]1(C(=O)N2CCN(C(=O)c3cccnc3)CC2)CCCO1 ZINC000267934089 525786111 /nfs/dbraw/zinc/78/61/11/525786111.db2.gz FVXHQKJYHBVWMG-INIZCTEOSA-N 0 0 303.362 0.935 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@H]1C ZINC000163474776 525789589 /nfs/dbraw/zinc/78/95/89/525789589.db2.gz KKTSXFKMTKVBPW-GHMZBOCLSA-N 0 0 324.356 0.073 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O ZINC000126918362 525813194 /nfs/dbraw/zinc/81/31/94/525813194.db2.gz LIEREUMCGQHWNJ-MFKMUULPSA-N 0 0 321.402 0.625 10 0 DCAERN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCC[C@@H](C)O)C2=O ZINC000136048567 526143613 /nfs/dbraw/zinc/14/36/13/526143613.db2.gz UOHHSNRAJXEADY-GHMZBOCLSA-N 0 0 304.346 0.867 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NC[C@@H]1CC[C@H](O)C1 ZINC000189952378 526332641 /nfs/dbraw/zinc/33/26/41/526332641.db2.gz FWIXVUYVLLIQMI-OCCSQVGLSA-N 0 0 305.378 0.877 10 0 DCAERN O=C(NCCNc1nccc(C(F)(F)F)n1)[C@@H]1CNC(=O)C1 ZINC000128922070 526341575 /nfs/dbraw/zinc/34/15/75/526341575.db2.gz NOPZWIHJWQGEOW-ZETCQYMHSA-N 0 0 317.271 0.160 10 0 DCAERN O=C(NCCOc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000364174557 526362653 /nfs/dbraw/zinc/36/26/53/526362653.db2.gz VWZHRGIVUZFHSV-AWEZNQCLSA-N 0 0 305.378 0.791 10 0 DCAERN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCN(C2CC2)CC1 ZINC000190422563 526458653 /nfs/dbraw/zinc/45/86/53/526458653.db2.gz MFMVTTDZGPPZRW-HNNXBMFYSA-N 0 0 300.362 0.881 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCO[C@H](C)C2)c1 ZINC000330788235 526478943 /nfs/dbraw/zinc/47/89/43/526478943.db2.gz YINMZWRHEJJTSI-LLVKDONJSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)N1CC(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)C1 ZINC000188253131 526512513 /nfs/dbraw/zinc/51/25/13/526512513.db2.gz GZAHTISHFCEWNK-KGLIPLIRSA-N 0 0 312.435 0.978 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000126784561 526667254 /nfs/dbraw/zinc/66/72/54/526667254.db2.gz XGZTWMOTDZPWAE-MFKMUULPSA-N 0 0 324.402 0.909 10 0 DCAERN Cc1oc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1S(N)(=O)=O ZINC000268029498 526760471 /nfs/dbraw/zinc/76/04/71/526760471.db2.gz LWKMBTRAXOXUSP-YUMQZZPRSA-N 0 0 302.352 0.485 10 0 DCAERN NC(=O)COc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000158242038 526892206 /nfs/dbraw/zinc/89/22/06/526892206.db2.gz ZOJLWIAHCDWWMO-JSGCOSHPSA-N 0 0 306.362 0.832 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000162069135 526898659 /nfs/dbraw/zinc/89/86/59/526898659.db2.gz ABUHAKRQWHUGOU-VIFPVBQESA-N 0 0 300.405 0.867 10 0 DCAERN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)N1CC(CO)C1 ZINC000191001095 526993318 /nfs/dbraw/zinc/99/33/18/526993318.db2.gz HULTUSMIXINUBW-OAHLLOKOSA-N 0 0 317.389 0.984 10 0 DCAERN NC(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)nn1 ZINC000158399020 527057175 /nfs/dbraw/zinc/05/71/75/527057175.db2.gz HOPQPXDCQFHKTK-UHFFFAOYSA-N 0 0 303.366 0.414 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000154104114 527127763 /nfs/dbraw/zinc/12/77/63/527127763.db2.gz STMGEIWCWVHNRO-WUHRBBMRSA-N 0 0 301.408 0.885 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000330838956 527139187 /nfs/dbraw/zinc/13/91/87/527139187.db2.gz MRZJXMAVJOGNLE-INIZCTEOSA-N 0 0 308.353 0.924 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCc1ccc(Cl)cc1 ZINC000155283485 527140250 /nfs/dbraw/zinc/14/02/50/527140250.db2.gz IUJDULCGYJZTRE-NSHDSACASA-N 0 0 309.753 0.987 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1O ZINC000331334753 527244807 /nfs/dbraw/zinc/24/48/07/527244807.db2.gz INPJREPRQRYYOQ-LLVKDONJSA-N 0 0 306.362 0.733 10 0 DCAERN Cn1cc(S(=O)(=O)NCc2cn(C)nc2C(F)(F)F)cn1 ZINC000124854301 527288056 /nfs/dbraw/zinc/28/80/56/527288056.db2.gz JGVXOSVTNUOTRM-UHFFFAOYSA-N 0 0 323.300 0.651 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000131709630 527474015 /nfs/dbraw/zinc/47/40/15/527474015.db2.gz JECOZFXCKIEURY-CYBMUJFWSA-N 0 0 309.410 0.747 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)CCCCC(N)=O)C1(C)C ZINC000188866510 528152852 /nfs/dbraw/zinc/15/28/52/528152852.db2.gz JIICOEPJTVNORF-XHDPSFHLSA-N 0 0 300.399 0.714 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000330904852 528242942 /nfs/dbraw/zinc/24/29/42/528242942.db2.gz CYRJLHLOQRWJGB-NEPJUHHUSA-N 0 0 305.444 0.700 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000172743700 528307217 /nfs/dbraw/zinc/30/72/17/528307217.db2.gz GWIGBKLCYSSDBH-HUUCEWRRSA-N 0 0 323.437 0.568 10 0 DCAERN CCOC[C@H]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177543306 529031795 /nfs/dbraw/zinc/03/17/95/529031795.db2.gz VQIOVOWWVILAQT-XQQFMLRXSA-N 0 0 306.428 0.699 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cc(C)cc(C(=O)OC)c2)CCO1 ZINC000457694626 536397276 /nfs/dbraw/zinc/39/72/76/536397276.db2.gz IUVSGWBOHXFHIE-CYBMUJFWSA-N 0 0 320.345 0.369 10 0 DCAERN O[C@H](CSc1nnnn1C1CCCC1)CN1CCOCC1 ZINC000070869650 545663879 /nfs/dbraw/zinc/66/38/79/545663879.db2.gz MEBUOTIMVALZNT-LBPRGKRZSA-N 0 0 313.427 0.573 10 0 DCAERN O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1COCCN1 ZINC000088371744 545710608 /nfs/dbraw/zinc/71/06/08/545710608.db2.gz VMTCEYDRGANORE-LBPRGKRZSA-N 0 0 300.305 0.935 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)COC[C@@H]3CCOC3)CCO2)c1 ZINC000117800746 545736848 /nfs/dbraw/zinc/73/68/48/545736848.db2.gz HCRDLZLNFURWGE-CABCVRRESA-N 0 0 323.393 0.472 10 0 DCAERN Cc1c(C(=O)N2CCOC[C@@H]2C2CC2)cccc1S(N)(=O)=O ZINC000128440124 545780218 /nfs/dbraw/zinc/78/02/18/545780218.db2.gz UGOXXZKCAHJBHM-CYBMUJFWSA-N 0 0 324.402 0.893 10 0 DCAERN CCc1ccc(CC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000132527000 545794163 /nfs/dbraw/zinc/79/41/63/545794163.db2.gz XWVJMXDKWPHPOV-INIZCTEOSA-N 0 0 306.406 0.601 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)CNS(=O)(=O)CC ZINC000151573252 545818227 /nfs/dbraw/zinc/81/82/27/545818227.db2.gz NJWOETBPSGZNJE-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN CCN(CC)S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000162187863 545869494 /nfs/dbraw/zinc/86/94/94/545869494.db2.gz KQCMEXKNGHFKDF-UHFFFAOYSA-N 0 0 301.416 0.759 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172103297 545881783 /nfs/dbraw/zinc/88/17/83/545881783.db2.gz GVBSDJQKBXVTKG-NDBYEHHHSA-N 0 0 316.423 0.627 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000176945807 545889587 /nfs/dbraw/zinc/88/95/87/545889587.db2.gz GWPVKQICMSWVPZ-LLVKDONJSA-N 0 0 308.382 0.061 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1coc(Br)c1 ZINC000178626618 545895638 /nfs/dbraw/zinc/89/56/38/545895638.db2.gz GDLPXLISCSOJSJ-SNVBAGLBSA-N 0 0 314.183 0.772 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NC(C2CC2)C2CC2)cn1 ZINC000179090555 545897966 /nfs/dbraw/zinc/89/79/66/545897966.db2.gz AQLCDXHGUASAME-UHFFFAOYSA-N 0 0 303.366 0.786 10 0 DCAERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1S(N)(=O)=O ZINC000179426647 545898906 /nfs/dbraw/zinc/89/89/06/545898906.db2.gz GXUXGVMHBARTQY-NXEZZACHSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179413468 545899105 /nfs/dbraw/zinc/89/91/05/545899105.db2.gz UXZVKXDQDYQGSH-RYUDHWBXSA-N 0 0 316.361 0.944 10 0 DCAERN CC(C)OCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000182715871 545906755 /nfs/dbraw/zinc/90/67/55/545906755.db2.gz DZNBRQXICNBDBE-UHFFFAOYSA-N 0 0 305.334 0.231 10 0 DCAERN NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)cn1 ZINC000183131661 545907680 /nfs/dbraw/zinc/90/76/80/545907680.db2.gz BXZKJOLLVFGSPW-UHFFFAOYSA-N 0 0 310.313 0.856 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cn3ccnc3s2)O1 ZINC000188758906 545918022 /nfs/dbraw/zinc/91/80/22/545918022.db2.gz KVBAUZGWSVCJOR-VHSXEESVSA-N 0 0 322.390 0.761 10 0 DCAERN CCCc1cc(C(=O)N2CCCN(CCOC)C(=O)C2)[nH]n1 ZINC000189050582 545919222 /nfs/dbraw/zinc/91/92/22/545919222.db2.gz MTQJNGYVXGYCPW-UHFFFAOYSA-N 0 0 308.382 0.683 10 0 DCAERN CCN1CN(C(=O)NCCCN2CCCCCC2=O)CC1=O ZINC000191873870 545926920 /nfs/dbraw/zinc/92/69/20/545926920.db2.gz JXYZWUQVTDUNOH-UHFFFAOYSA-N 0 0 310.398 0.610 10 0 DCAERN Cc1noc(COc2ccc(NC(=O)[C@@H]3COCCN3)cc2)n1 ZINC000237691089 545956644 /nfs/dbraw/zinc/95/66/44/545956644.db2.gz SEPSVLHFKFOWHR-ZDUSSCGKSA-N 0 0 318.333 0.884 10 0 DCAERN C[C@H](CO)[C@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)n2ncnc2n1 ZINC000248668024 545969544 /nfs/dbraw/zinc/96/95/44/545969544.db2.gz QITUGGYKPCSVEI-WYUUTHIRSA-N 0 0 322.413 0.982 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)[C@@H]1CCOC1 ZINC000329655768 546052982 /nfs/dbraw/zinc/05/29/82/546052982.db2.gz FYAXNCYLLWJBJW-UMVBOHGHSA-N 0 0 320.393 0.577 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCn3ccnc3C2)C[C@H](C)O1 ZINC000329672294 546054151 /nfs/dbraw/zinc/05/41/51/546054151.db2.gz NMPFCSOSAABJKW-QWRGUYRKSA-N 0 0 300.384 0.053 10 0 DCAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cnn2c1OCCC2 ZINC000333136238 546072953 /nfs/dbraw/zinc/07/29/53/546072953.db2.gz IOJQPJSCVPZKAZ-QWRGUYRKSA-N 0 0 315.395 0.495 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@]2(C)C[C@@H]2F)C[C@@H]1c1cnn(C)c1 ZINC000333236630 546075179 /nfs/dbraw/zinc/07/51/79/546075179.db2.gz DCIUAGNYGADCFB-OXJKWZBOSA-N 0 0 308.357 0.456 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cs1 ZINC000381283595 546215556 /nfs/dbraw/zinc/21/55/56/546215556.db2.gz LVQNYWJTVBCLDC-JTQLQIEISA-N 0 0 317.436 0.702 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000384801022 546216402 /nfs/dbraw/zinc/21/64/02/546216402.db2.gz XZBGLWNBKYVAAT-GRYCIOLGSA-N 0 0 304.412 0.172 10 0 DCAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000384801025 546216882 /nfs/dbraw/zinc/21/68/82/546216882.db2.gz XZBGLWNBKYVAAT-UTUOFQBUSA-N 0 0 304.412 0.172 10 0 DCAERN C[C@@H](CNc1ccccc1S(=O)(=O)N(C)C)S(N)(=O)=O ZINC000398243283 546224147 /nfs/dbraw/zinc/22/41/47/546224147.db2.gz GVGTVIQBUJWALG-VIFPVBQESA-N 0 0 321.424 0.026 10 0 DCAERN CCc1ccc([C@@H]2CCCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)o1 ZINC000668875527 546868721 /nfs/dbraw/zinc/86/87/21/546868721.db2.gz HINBOTWQPOJLPZ-DSJMHWKBSA-N 0 0 321.373 0.918 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CNc3nc(CO)nn32)C1 ZINC000232498645 563961925 /nfs/dbraw/zinc/96/19/25/563961925.db2.gz LYJRFLNHCAJBMX-UWVGGRQHSA-N 0 0 309.370 0.994 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000711539933 667488027 /nfs/dbraw/zinc/48/80/27/667488027.db2.gz FKYPCPNAQHGBJT-AOOOYVTPSA-N 0 0 308.425 0.021 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN2CCC[C@H](NC(C)=O)C2)C1=O ZINC000068240114 665407842 /nfs/dbraw/zinc/40/78/42/665407842.db2.gz ZRLNWLKIOYZNKT-STQMWFEESA-N 0 0 310.398 0.655 10 0 DCAERN CCOC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000260880898 661158999 /nfs/dbraw/zinc/15/89/99/661158999.db2.gz NHVMYAKSLYAUTA-JTQLQIEISA-N 0 0 321.395 0.974 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000888094825 661162795 /nfs/dbraw/zinc/16/27/95/661162795.db2.gz DHKXYIRYOVWJLN-WCQYABFASA-N 0 0 319.365 0.444 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCc3cncnc3C2)C1=O ZINC000888103092 661184515 /nfs/dbraw/zinc/18/45/15/661184515.db2.gz GBRCEVZEISWUOB-AWEZNQCLSA-N 0 0 318.377 0.389 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCc3cncnc3C2)C1=O ZINC000888103093 661184603 /nfs/dbraw/zinc/18/46/03/661184603.db2.gz GBRCEVZEISWUOB-CQSZACIVSA-N 0 0 318.377 0.389 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2cnc(Br)cn2)C1 ZINC000310275590 661280883 /nfs/dbraw/zinc/28/08/83/661280883.db2.gz JMVQDKUYIQLFRG-JTQLQIEISA-N 0 0 301.144 0.056 10 0 DCAERN CCOC(=O)c1cn(CN2CCC[C@@H](NC(C)=O)C2)nc1C ZINC000068314391 665415213 /nfs/dbraw/zinc/41/52/13/665415213.db2.gz MGKGOBRQQMTDJN-CYBMUJFWSA-N 0 0 308.382 0.926 10 0 DCAERN CC(C)COC1CCN(C(=O)NCCS(C)(=O)=O)CC1 ZINC000049518684 657476813 /nfs/dbraw/zinc/47/68/13/657476813.db2.gz UMAUWUZYUCWQPF-UHFFFAOYSA-N 0 0 306.428 0.878 10 0 DCAERN C[C@H]1CN(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CCS1 ZINC000074720011 657873424 /nfs/dbraw/zinc/87/34/24/657873424.db2.gz LMRFDBGBKLFKPT-AAEUAGOBSA-N 0 0 322.434 0.733 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)[C@@H]1C ZINC000255580461 657933913 /nfs/dbraw/zinc/93/39/13/657933913.db2.gz NCQLJPUHBZIQRB-QWRGUYRKSA-N 0 0 305.382 0.035 10 0 DCAERN O=S(=O)(N[C@H]1CC12CC(O)C2)c1cccc2nsnc21 ZINC000724991306 657989059 /nfs/dbraw/zinc/98/90/59/657989059.db2.gz QWTCFVCBGMISHK-HLIOBJQSSA-N 0 0 311.388 0.883 10 0 DCAERN CC(C)n1nccc1NC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725004566 658019183 /nfs/dbraw/zinc/01/91/83/658019183.db2.gz MRCVEIHQWXJYKF-SNVBAGLBSA-N 0 0 300.384 0.179 10 0 DCAERN CCC[C@@H](OC)c1noc(C[C@H]2CNCCS2(=O)=O)n1 ZINC000725016377 658020646 /nfs/dbraw/zinc/02/06/46/658020646.db2.gz PWXJZWKXHWHAMX-VHSXEESVSA-N 0 0 303.384 0.486 10 0 DCAERN COC[C@@H](C)OC[C@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724205506 658054142 /nfs/dbraw/zinc/05/41/42/658054142.db2.gz QTFZJSGRDNMTHK-NXEZZACHSA-N 0 0 301.305 0.662 10 0 DCAERN O=S(=O)(c1cc(F)ccc1Cl)N1CCOC[C@@H]1CO ZINC000097896572 658081218 /nfs/dbraw/zinc/08/12/18/658081218.db2.gz ZODSUSBMNIVHQR-VIFPVBQESA-N 0 0 309.746 0.861 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721587952 658173628 /nfs/dbraw/zinc/17/36/28/658173628.db2.gz NCVBCAMOGOHXNO-RVMXOQNASA-N 0 0 305.440 0.982 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NCC(C)(CO)CO ZINC000722663468 658227451 /nfs/dbraw/zinc/22/74/51/658227451.db2.gz GAGYZXYMQRMNGM-JTQLQIEISA-N 0 0 302.371 0.103 10 0 DCAERN CNC(=O)[C@@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255628284 658418802 /nfs/dbraw/zinc/41/88/02/658418802.db2.gz SDWYAPJGZCWQCL-YPMHNXCESA-N 0 0 319.409 0.425 10 0 DCAERN COc1n[nH]c(NC(=O)c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000179365211 658466271 /nfs/dbraw/zinc/46/62/71/658466271.db2.gz PUTATPZUZVQDMO-UHFFFAOYSA-N 0 0 303.257 0.785 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@H]2CC=CCC2)c(=O)n(C)c1=O ZINC000255710564 658486679 /nfs/dbraw/zinc/48/66/79/658486679.db2.gz VVJVKCLWBAHLLY-LAUAKBEESA-N 0 0 304.346 0.997 10 0 DCAERN COC(=O)c1nc(C(=O)NCC2([S@@](C)=O)CCC2)cs1 ZINC000721409474 658580270 /nfs/dbraw/zinc/58/02/70/658580270.db2.gz HRBOQQYPBDJFKX-HXUWFJFHSA-N 0 0 316.404 0.961 10 0 DCAERN COC(=O)c1nc(C(=O)N2C[C@@H](CO)OC[C@H]2C)cs1 ZINC000721417709 658636766 /nfs/dbraw/zinc/63/67/66/658636766.db2.gz BUZKWFWZCCATBS-SFYZADRCSA-N 0 0 300.336 0.152 10 0 DCAERN CN1N=C(C(=O)Nc2cc(Cl)ccc2C(N)=O)CCC1=O ZINC000121894221 658669080 /nfs/dbraw/zinc/66/90/80/658669080.db2.gz LSVKJKPSNKRUCG-UHFFFAOYSA-N 0 0 308.725 0.986 10 0 DCAERN CC1(C)C(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1(C)C ZINC000177688153 658789220 /nfs/dbraw/zinc/78/92/20/658789220.db2.gz NRFVMRMCPCHKQC-SNVBAGLBSA-N 0 0 303.428 0.214 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)O[C@H](C)CN1CCOCC1 ZINC000181616777 665628347 /nfs/dbraw/zinc/62/83/47/665628347.db2.gz OJEALPGAKSMLEE-KGLIPLIRSA-N 0 0 312.410 0.897 10 0 DCAERN O=Cc1ccccc1OCC(=O)NCC(=O)NCc1ccco1 ZINC000069643676 665631000 /nfs/dbraw/zinc/63/10/00/665631000.db2.gz UZRMUOJOVYPBIB-UHFFFAOYSA-N 0 0 316.313 0.904 10 0 DCAERN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(C)(C)O ZINC000394015547 659081391 /nfs/dbraw/zinc/08/13/91/659081391.db2.gz VJZXHZGNBAQJTE-SECBINFHSA-N 0 0 300.380 0.947 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000125377953 659170680 /nfs/dbraw/zinc/17/06/80/659170680.db2.gz XAROJPNJIQOFCZ-DGCLKSJQSA-N 0 0 313.361 0.993 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000187821094 659317441 /nfs/dbraw/zinc/31/74/41/659317441.db2.gz XAMFJPQFARIKPH-GHMZBOCLSA-N 0 0 312.391 0.535 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCC1(F)F ZINC000398185255 659464896 /nfs/dbraw/zinc/46/48/96/659464896.db2.gz LDTXBUUMDFLBMY-SECBINFHSA-N 0 0 307.322 0.590 10 0 DCAERN Nc1nc(NCCN2CCSCC2)nc(C(F)(F)F)n1 ZINC000312856245 659611074 /nfs/dbraw/zinc/61/10/74/659611074.db2.gz PVRLRJFMDHQHQA-UHFFFAOYSA-N 0 0 308.333 0.933 10 0 DCAERN CC(C)(O)CN1CCN(S(=O)(=O)c2ccns2)CC1 ZINC000717784812 667952331 /nfs/dbraw/zinc/95/23/31/667952331.db2.gz CEDFAQLJUNOHKS-UHFFFAOYSA-N 0 0 305.425 0.220 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@@H]1C ZINC000094819331 661295336 /nfs/dbraw/zinc/29/53/36/661295336.db2.gz QTSJSUQZBZGNFL-IONNQARKSA-N 0 0 311.363 0.983 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)N1CCc2ccccc21 ZINC000178565765 661316485 /nfs/dbraw/zinc/31/64/85/661316485.db2.gz PTBNRGITLMSSKP-PWSUYJOCSA-N 0 0 301.346 0.359 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)N1CCc2ccccc21 ZINC000178565733 661316737 /nfs/dbraw/zinc/31/67/37/661316737.db2.gz PTBNRGITLMSSKP-CMPLNLGQSA-N 0 0 301.346 0.359 10 0 DCAERN CNC(=O)COc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261617110 661325126 /nfs/dbraw/zinc/32/51/26/661325126.db2.gz BWNPGNZUBGZAQM-OAHLLOKOSA-N 0 0 321.377 0.504 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(CN3CC(=O)N(C)C3=O)C2)n1 ZINC000182282767 665769814 /nfs/dbraw/zinc/76/98/14/665769814.db2.gz SZTBLLNHQNBJPW-ZDUSSCGKSA-N 0 0 320.397 0.458 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000249310022 661546189 /nfs/dbraw/zinc/54/61/89/661546189.db2.gz NVVCASQCUDCNCP-RYUDHWBXSA-N 0 0 310.316 0.828 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)N2CCC(O)CC2)C1 ZINC000222650247 661625646 /nfs/dbraw/zinc/62/56/46/661625646.db2.gz VGEDPVFKWXREPZ-AWEZNQCLSA-N 0 0 303.362 0.511 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000222650767 661625962 /nfs/dbraw/zinc/62/59/62/661625962.db2.gz KBYZFQYHPCZTKQ-UONOGXRCSA-N 0 0 303.362 0.823 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178838532 661627319 /nfs/dbraw/zinc/62/73/19/661627319.db2.gz XQMHLCSNGKYRGI-OAHLLOKOSA-N 0 0 317.389 0.989 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCc3c(ncn(C)c3=O)C2)[nH]1 ZINC000333287057 661852322 /nfs/dbraw/zinc/85/23/22/661852322.db2.gz QRRKTDZZZHXJOY-UHFFFAOYSA-N 0 0 324.344 0.559 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2cccc(Br)n2)C1 ZINC000310396732 661959840 /nfs/dbraw/zinc/95/98/40/661959840.db2.gz STGQSLVOQHRQQQ-NSHDSACASA-N 0 0 300.156 0.661 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721834053 662133126 /nfs/dbraw/zinc/13/31/26/662133126.db2.gz RHOLJTHUJZLWFY-QMMMGPOBSA-N 0 0 307.803 0.855 10 0 DCAERN Cc1ccc(C(=O)NCCN2CCCS2(=O)=O)c(Cl)n1 ZINC000147607899 662173277 /nfs/dbraw/zinc/17/32/77/662173277.db2.gz PXUQIPAFGJPKGV-UHFFFAOYSA-N 0 0 317.798 0.809 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCN(Cc3cnc(C)s3)CC2)C1 ZINC000189130130 665849248 /nfs/dbraw/zinc/84/92/48/665849248.db2.gz KGZHWJKFKWYUJG-CYBMUJFWSA-N 0 0 324.450 0.774 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)C(C)C ZINC000179124178 662767541 /nfs/dbraw/zinc/76/75/41/662767541.db2.gz UJLNSGMYAMMZCI-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN C[S@](=O)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000730093777 663044112 /nfs/dbraw/zinc/04/41/12/663044112.db2.gz FLDXJQBPGPBGNZ-XMHCIUCPSA-N 0 0 324.402 0.912 10 0 DCAERN CN1C[C@@H](C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074822 663123076 /nfs/dbraw/zinc/12/30/76/663123076.db2.gz NDEQJQLYBYBFQM-RYUDHWBXSA-N 0 0 303.366 0.407 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)CCO1 ZINC000435687658 663297332 /nfs/dbraw/zinc/29/73/32/663297332.db2.gz HVHADOHTAJGJDU-SNVBAGLBSA-N 0 0 304.306 0.280 10 0 DCAERN O=C(CN1CCNC(=O)C1)N[C@H]1CCCc2cc(F)ccc21 ZINC000901279744 663335193 /nfs/dbraw/zinc/33/51/93/663335193.db2.gz UWHNMPPIDZOHNH-AWEZNQCLSA-N 0 0 305.353 0.751 10 0 DCAERN O=C(CNC(=O)N1CCCC1)N1CCC[C@H]1Cn1ccnn1 ZINC000908093645 663732016 /nfs/dbraw/zinc/73/20/16/663732016.db2.gz JXZYSOUNPFHFNS-LBPRGKRZSA-N 0 0 306.370 0.075 10 0 DCAERN CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909187006 663784699 /nfs/dbraw/zinc/78/46/99/663784699.db2.gz WSFZGZUDJDDJKE-QKPAOTATSA-N 0 0 315.373 0.931 10 0 DCAERN CC(C)c1nccn1CC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909189323 663785932 /nfs/dbraw/zinc/78/59/32/663785932.db2.gz HSROKNNYFQBHGS-BZPMIXESSA-N 0 0 303.366 0.694 10 0 DCAERN CNc1nc(C)ccc1C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000912022481 664135493 /nfs/dbraw/zinc/13/54/93/664135493.db2.gz LPZNUAKXPRNKME-VXGBXAGGSA-N 0 0 302.338 0.081 10 0 DCAERN Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCOC[C@H]1CO ZINC000912429535 664172035 /nfs/dbraw/zinc/17/20/35/664172035.db2.gz ACMHTEYOCLYXOQ-GHMZBOCLSA-N 0 0 312.391 0.789 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163713004 664356700 /nfs/dbraw/zinc/35/67/00/664356700.db2.gz AOUYCKXLSOVEGG-RKDXNWHRSA-N 0 0 308.313 0.272 10 0 DCAERN Cn1ncc2c1nnn(CN1CC[C@]3(O)CCCC[C@@H]3C1)c2=O ZINC000164949614 664396643 /nfs/dbraw/zinc/39/66/43/664396643.db2.gz SUYXYLHZAVPBRY-IAQYHMDHSA-N 0 0 318.381 0.110 10 0 DCAERN CN1CCN(C(=O)c2cnc(-n3cnnc3)c(Cl)c2)CC1 ZINC000223065100 664399832 /nfs/dbraw/zinc/39/98/32/664399832.db2.gz XNSFIIWFPHSWNY-UHFFFAOYSA-N 0 0 306.757 0.703 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H]1COc2ccccc21 ZINC000165899918 664430965 /nfs/dbraw/zinc/43/09/65/664430965.db2.gz RBRIOMIOFVXLBO-JQWIXIFHSA-N 0 0 310.375 0.997 10 0 DCAERN C=CCN(CC=C)C(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000057500804 664436181 /nfs/dbraw/zinc/43/61/81/664436181.db2.gz GOXRGAYWPWGLJD-UHFFFAOYSA-N 0 0 323.349 0.061 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNc1nc(C2CC2)ns1 ZINC000721725670 664497445 /nfs/dbraw/zinc/49/74/45/664497445.db2.gz NPSRRDNULOCBOS-VIFPVBQESA-N 0 0 302.425 0.604 10 0 DCAERN CN(C)C(=O)CCNC(=O)NCc1cccnc1-n1ccnc1 ZINC000046098906 664482261 /nfs/dbraw/zinc/48/22/61/664482261.db2.gz QWNTYSVMOOBIQI-UHFFFAOYSA-N 0 0 316.365 0.545 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000226981665 664524072 /nfs/dbraw/zinc/52/40/72/664524072.db2.gz RVYQCIWCROWGQB-GMSGAONNSA-N 0 0 300.384 0.301 10 0 DCAERN CC(C)n1cnnc1SCC(=O)N1CCOC[C@H]1CO ZINC000168621185 664526889 /nfs/dbraw/zinc/52/68/89/664526889.db2.gz AAXCLIRPNPRRKN-SNVBAGLBSA-N 0 0 300.384 0.171 10 0 DCAERN CNc1cnc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cn1 ZINC000230109732 664614962 /nfs/dbraw/zinc/61/49/62/664614962.db2.gz MNWWERZUPVMTOR-JTQLQIEISA-N 0 0 316.408 0.078 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)NCCOCCS(C)(=O)=O)n1 ZINC000172738492 664624627 /nfs/dbraw/zinc/62/46/27/664624627.db2.gz URVOQQIMRKMCEK-GFCCVEGCSA-N 0 0 317.411 0.238 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)Nc2cn(C)nc2C)cc1 ZINC000172857766 664625181 /nfs/dbraw/zinc/62/51/81/664625181.db2.gz HRMLPFJCVKJHHX-UHFFFAOYSA-N 0 0 308.363 0.889 10 0 DCAERN Cc1cc(C)c2c(n1)sn(CN1CCO[C@H](C(N)=O)C1)c2=O ZINC000173331582 664628089 /nfs/dbraw/zinc/62/80/89/664628089.db2.gz FCTLIDUCYNQBQX-JTQLQIEISA-N 0 0 322.390 0.218 10 0 DCAERN Cc1nnc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)n1C ZINC000173981222 664634327 /nfs/dbraw/zinc/63/43/27/664634327.db2.gz BPKRQKVJYKCMFQ-UHFFFAOYSA-N 0 0 315.786 0.993 10 0 DCAERN CCCn1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cn1 ZINC000174122468 664636007 /nfs/dbraw/zinc/63/60/07/664636007.db2.gz GMKQFTDZTQPNAL-JTQLQIEISA-N 0 0 300.384 0.944 10 0 DCAERN CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233656 664637699 /nfs/dbraw/zinc/63/76/99/664637699.db2.gz HCJIJHMMQUPMFW-LBPRGKRZSA-N 0 0 319.471 0.983 10 0 DCAERN CNC(=O)CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730279106 664674909 /nfs/dbraw/zinc/67/49/09/664674909.db2.gz VCBCOEPTMVHUMD-UHFFFAOYSA-N 0 0 319.361 0.445 10 0 DCAERN CCOC(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730279100 664674982 /nfs/dbraw/zinc/67/49/82/664674982.db2.gz URVJBOUWIHDHOO-UHFFFAOYSA-N 0 0 320.345 0.872 10 0 DCAERN C[C@H]1CN(Cn2nc(N(C)C)sc2=S)CCS1(=O)=O ZINC000151601726 664707578 /nfs/dbraw/zinc/70/75/78/664707578.db2.gz LFLQHTFMFLMSMY-QMMMGPOBSA-N 0 0 322.481 0.816 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CN2C[C@H](C)CC2=O)CC1 ZINC000152660252 664768223 /nfs/dbraw/zinc/76/82/23/664768223.db2.gz UQQKAGXCQBMOAB-CYBMUJFWSA-N 0 0 319.453 0.980 10 0 DCAERN CCOc1cc(C)nc(N2CCN(CN3CCCC3=O)CC2)n1 ZINC000152683523 664769184 /nfs/dbraw/zinc/76/91/84/664769184.db2.gz GHICCHYFJRVMCQ-UHFFFAOYSA-N 0 0 319.409 0.886 10 0 DCAERN C[C@H]1CN(C(=O)COC(=O)Cn2ncc3ccccc32)CCO1 ZINC000730634963 664798814 /nfs/dbraw/zinc/79/88/14/664798814.db2.gz DWRAKJOQTJGBRG-LBPRGKRZSA-N 0 0 317.345 0.827 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2=COCCC2)CC1 ZINC000730850948 664820572 /nfs/dbraw/zinc/82/05/72/664820572.db2.gz PCJUXRNYEBSKGL-LLVKDONJSA-N 0 0 310.350 0.303 10 0 DCAERN O=C(COC(=O)C1=COCCC1)N1CCC2(CC1)OCCO2 ZINC000730850632 664820748 /nfs/dbraw/zinc/82/07/48/664820748.db2.gz CGAFSGKXMXWPFC-UHFFFAOYSA-N 0 0 311.334 0.589 10 0 DCAERN C[C@@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000731737567 664881007 /nfs/dbraw/zinc/88/10/07/664881007.db2.gz JDOKTGFDJQUOFQ-SNVBAGLBSA-N 0 0 306.318 0.609 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)c1ccsc1)N1CCOCC1 ZINC000153622145 664924734 /nfs/dbraw/zinc/92/47/34/664924734.db2.gz KDGVDOJMZFVSHZ-DGCLKSJQSA-N 0 0 313.423 0.801 10 0 DCAERN COc1cccc([C@@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000174851120 665138757 /nfs/dbraw/zinc/13/87/57/665138757.db2.gz YLSBAACABWSUAW-LLVKDONJSA-N 0 0 318.329 0.860 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCC(=O)OC(C)(C)C ZINC000352714785 665230676 /nfs/dbraw/zinc/23/06/76/665230676.db2.gz UYJFLKYBBYQLGS-JTQLQIEISA-N 0 0 302.396 0.756 10 0 DCAERN Cn1ncc2c1nnn(CN1CCC[C@@H](C(F)(F)F)C1)c2=O ZINC000175682464 665331763 /nfs/dbraw/zinc/33/17/63/665331763.db2.gz UQZILELQWIIWDP-MRVPVSSYSA-N 0 0 316.287 0.757 10 0 DCAERN NC(=O)CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000068009006 665390763 /nfs/dbraw/zinc/39/07/63/665390763.db2.gz YDJIGHPWPDPXQB-UHFFFAOYSA-N 0 0 310.253 0.195 10 0 DCAERN Cc1nn(CN2CCS(=O)(=O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000183376092 666032937 /nfs/dbraw/zinc/03/29/37/666032937.db2.gz JCGXIGKJDGAAQS-UHFFFAOYSA-N 0 0 302.356 0.566 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CSC(=O)N2)CC[S@@]1=O ZINC000183872493 666129937 /nfs/dbraw/zinc/12/99/37/666129937.db2.gz RRJZXKCUBPARPC-UGZDLDLSSA-N 0 0 304.437 0.961 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)CCn1cccn1 ZINC000183938736 666154148 /nfs/dbraw/zinc/15/41/48/666154148.db2.gz UDDWEHNTICJNHN-LBPRGKRZSA-N 0 0 317.411 0.877 10 0 DCAERN Cn1c2ccccc2sc1=NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000254949752 666198255 /nfs/dbraw/zinc/19/82/55/666198255.db2.gz HYOKUIMESVUCJR-ZETCQYMHSA-N 0 0 304.331 0.265 10 0 DCAERN COC[C@]1(C)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O ZINC000072095225 666207437 /nfs/dbraw/zinc/20/74/37/666207437.db2.gz BXFYQKBECJHGSM-HNNXBMFYSA-N 0 0 315.333 0.724 10 0 DCAERN C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)CC1(CO)CC1 ZINC000186799616 666597460 /nfs/dbraw/zinc/59/74/60/666597460.db2.gz UVFGNONIMRKVAX-SECBINFHSA-N 0 0 311.407 0.878 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCO[C@@H](CCF)C1 ZINC000700582983 666735366 /nfs/dbraw/zinc/73/53/66/666735366.db2.gz SIKCQCIBGKXFOY-ZETCQYMHSA-N 0 0 321.150 0.778 10 0 DCAERN COc1cccc(C(=O)COC(=O)CN2CCC(=O)NC2=O)c1 ZINC000733559365 666765472 /nfs/dbraw/zinc/76/54/72/666765472.db2.gz ITNRWQKRDDQTEX-UHFFFAOYSA-N 0 0 320.301 0.363 10 0 DCAERN C[C@@H](OC(=O)c1cc(Cl)nc(N(C)C)c1)C(=O)NC(N)=O ZINC000733579302 666767950 /nfs/dbraw/zinc/76/79/50/666767950.db2.gz RKIBHSGZHXCNJP-ZCFIWIBFSA-N 0 0 314.729 0.541 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000733964619 666832721 /nfs/dbraw/zinc/83/27/21/666832721.db2.gz RJNHGHBEMKTUOD-PRWKNARSSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000733878091 666823295 /nfs/dbraw/zinc/82/32/95/666823295.db2.gz DRFPRTZQMXBIIS-NNUHMIRASA-N 0 0 314.407 0.046 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCc1c(C)nc2ncnn2c1C ZINC000733879377 666823637 /nfs/dbraw/zinc/82/36/37/666823637.db2.gz MUVMJVHVDLOPQO-JOCHJYFZSA-N 0 0 323.422 0.559 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)OCC(F)(F)F ZINC000733879404 666823831 /nfs/dbraw/zinc/82/38/31/666823831.db2.gz NBGSVQWJXROYHC-HXUWFJFHSA-N 0 0 318.317 0.550 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)OCC(F)(F)F ZINC000733879403 666823859 /nfs/dbraw/zinc/82/38/59/666823859.db2.gz NBGSVQWJXROYHC-FQEVSTJZSA-N 0 0 318.317 0.550 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000733893443 666826885 /nfs/dbraw/zinc/82/68/85/666826885.db2.gz WUPYYHSGPPSVFW-JOCHJYFZSA-N 0 0 324.446 0.929 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)c2ccccc2C1=O ZINC000733965713 666833169 /nfs/dbraw/zinc/83/31/69/666833169.db2.gz ICWHVVPBMCUIND-OAQYLSRUSA-N 0 0 308.359 0.167 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1cccc(C(=O)NC)c1 ZINC000735108519 666947176 /nfs/dbraw/zinc/94/71/76/666947176.db2.gz AAUJKYOHMSGDDO-OAQYLSRUSA-N 0 0 311.407 0.614 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000735080329 666948048 /nfs/dbraw/zinc/94/80/48/666948048.db2.gz LHRNAAIPXJIJRK-IBGZPJMESA-N 0 0 317.388 0.404 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000735081450 666948545 /nfs/dbraw/zinc/94/85/45/666948545.db2.gz RMGUZNQDXCPXLN-GOSISDBHSA-N 0 0 309.384 0.881 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN1CCCCCC1=O ZINC000735088379 666949785 /nfs/dbraw/zinc/94/97/85/666949785.db2.gz SGWTYIJEERRWTQ-NRFANRHFSA-N 0 0 317.455 0.847 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000735111838 666954830 /nfs/dbraw/zinc/95/48/30/666954830.db2.gz OPDCWEFMYVHATJ-QFIPXVFZSA-N 0 0 324.450 0.677 10 0 DCAERN CC[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000702400915 666954817 /nfs/dbraw/zinc/95/48/17/666954817.db2.gz JVJHLAOLMNUJLS-ZIAGYGMSSA-N 0 0 307.394 0.673 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)NCC[S@@](C)=O)c2O ZINC000735115637 666955154 /nfs/dbraw/zinc/95/51/54/666955154.db2.gz KLPJRIJTODYVLA-OAQYLSRUSA-N 0 0 308.359 0.645 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(COC)c1 ZINC000735202641 666968448 /nfs/dbraw/zinc/96/84/48/666968448.db2.gz YJCABKIYQKHURL-NRFANRHFSA-N 0 0 312.391 0.656 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)N1CCc2ccc(C)cc21 ZINC000735202583 666968615 /nfs/dbraw/zinc/96/86/15/666968615.db2.gz XBEPTBHRLRHRLP-NRFANRHFSA-N 0 0 308.403 0.769 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000702812138 666999077 /nfs/dbraw/zinc/99/90/77/666999077.db2.gz CLEMELIKHRFWSU-WOPDTQHZSA-N 0 0 314.382 0.367 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]n1 ZINC000702816717 666999123 /nfs/dbraw/zinc/99/91/23/666999123.db2.gz WUVROJIVMGFUEC-ZYHUDNBSSA-N 0 0 324.381 0.676 10 0 DCAERN COCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815882 666999201 /nfs/dbraw/zinc/99/92/01/666999201.db2.gz QHTOZVNAMUDNOX-RYUDHWBXSA-N 0 0 316.398 0.757 10 0 DCAERN CCOC(=O)C(=O)N1CCN(C(=O)CCOCC(C)C)CC1 ZINC000735818963 667039807 /nfs/dbraw/zinc/03/98/07/667039807.db2.gz WUVXLAAMESOQNC-UHFFFAOYSA-N 0 0 314.382 0.283 10 0 DCAERN CCS(=O)(=O)C1(CNC(=O)c2nccnc2Cl)CC1 ZINC000703278896 667075289 /nfs/dbraw/zinc/07/52/89/667075289.db2.gz MEVUJPKDXVDXGJ-UHFFFAOYSA-N 0 0 303.771 0.827 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ocnc2C2CC2)cn1 ZINC000862921907 667091938 /nfs/dbraw/zinc/09/19/38/667091938.db2.gz LDWGWYWZSJMXDJ-NWDGAFQWSA-N 0 0 318.333 0.862 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCCc1nnc2ccccn21 ZINC000101437749 667137794 /nfs/dbraw/zinc/13/77/94/667137794.db2.gz PZMCXXDENSQMLL-GFCCVEGCSA-N 0 0 301.350 0.399 10 0 DCAERN CCC[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)OCC ZINC000705386440 667307230 /nfs/dbraw/zinc/30/72/30/667307230.db2.gz ITALXJGRYPFWFG-VXGBXAGGSA-N 0 0 306.428 0.085 10 0 DCAERN CCC[C@@H](CNC(=O)C[C@H]1CS(=O)(=O)CCN1)OCC ZINC000705386438 667307363 /nfs/dbraw/zinc/30/73/63/667307363.db2.gz ITALXJGRYPFWFG-RYUDHWBXSA-N 0 0 306.428 0.085 10 0 DCAERN OC[C@H]1CN(Cc2ncccc2Br)C[C@H]1CO ZINC000705368115 667314613 /nfs/dbraw/zinc/31/46/13/667314613.db2.gz JTPYHLMGXNHIOD-AOOOYVTPSA-N 0 0 301.184 0.877 10 0 DCAERN CCOC[C@H]1CN(S(=O)(=O)c2cccnc2F)CCO1 ZINC000705811651 667372395 /nfs/dbraw/zinc/37/23/95/667372395.db2.gz QZZIHLLKQJMQTK-SNVBAGLBSA-N 0 0 304.343 0.647 10 0 DCAERN COC[C@@](C)(NCc1cnn(-c2ccccc2)n1)C(=O)OC ZINC000121164215 667387047 /nfs/dbraw/zinc/38/70/47/667387047.db2.gz VGWRCAHNRGEQPL-OAHLLOKOSA-N 0 0 304.350 0.935 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NC[C@H]1CCCC12CC2 ZINC000706206994 667403604 /nfs/dbraw/zinc/40/36/04/667403604.db2.gz LZBZSCVAJCJUKU-VXGBXAGGSA-N 0 0 300.424 0.460 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1csc(Br)n1 ZINC000707049697 667430918 /nfs/dbraw/zinc/43/09/18/667430918.db2.gz RKGCNLBJFGKUKU-VDTYLAMSSA-N 0 0 307.169 0.785 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2csc(Cl)n2)C1 ZINC000707399589 667438191 /nfs/dbraw/zinc/43/81/91/667438191.db2.gz RENBBMRGHHHBLO-ZCFIWIBFSA-N 0 0 309.800 0.690 10 0 DCAERN Cc1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)cc1O ZINC000708261740 667442437 /nfs/dbraw/zinc/44/24/37/667442437.db2.gz DGRRNSNKKOLXNC-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cncc(Br)c1 ZINC000711184371 667452239 /nfs/dbraw/zinc/45/22/39/667452239.db2.gz AGBUZPCMUBAFSC-LURJTMIESA-N 0 0 322.184 0.338 10 0 DCAERN CCN(CCc1nccs1)Cn1nc2cnccn2c1=O ZINC000133925771 667492915 /nfs/dbraw/zinc/49/29/15/667492915.db2.gz XESPFMZZCFKNJM-UHFFFAOYSA-N 0 0 304.379 0.870 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccnc(-n2cncn2)c1)C(=O)N(C)C ZINC000738628758 667679631 /nfs/dbraw/zinc/67/96/31/667679631.db2.gz RKRZHFFVPPAODL-CYBMUJFWSA-N 0 0 317.349 0.932 10 0 DCAERN COc1ccnc(N2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886065609 667728071 /nfs/dbraw/zinc/72/80/71/667728071.db2.gz MMKRRLMAXLDEDO-AWEZNQCLSA-N 0 0 304.354 0.188 10 0 DCAERN Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3ccc[nH]3)C2)n1 ZINC000886096548 667731356 /nfs/dbraw/zinc/73/13/56/667731356.db2.gz LRIINMAJPVFSOR-HNNXBMFYSA-N 0 0 304.350 0.845 10 0 DCAERN CN(C)C(=O)c1ccc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nn1 ZINC000886095448 667731378 /nfs/dbraw/zinc/73/13/78/667731378.db2.gz WUBZUNSFMYXRHH-DMDPSCGWSA-N 0 0 302.338 0.161 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)Cc2ccco2)C1 ZINC000886094591 667731417 /nfs/dbraw/zinc/73/14/17/667731417.db2.gz ALLURIDHOHDKOB-OAHLLOKOSA-N 0 0 304.350 0.547 10 0 DCAERN CN1CCO[C@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097242 667732078 /nfs/dbraw/zinc/73/20/78/667732078.db2.gz VKEJWLXULVSLEL-LBPRGKRZSA-N 0 0 322.365 0.005 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000741089172 667758680 /nfs/dbraw/zinc/75/86/80/667758680.db2.gz MMDQFUDEHFGZSS-DCVWQXJKSA-N 0 0 317.455 0.701 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC(CC(=O)OC)CC1 ZINC000741420197 667770556 /nfs/dbraw/zinc/77/05/56/667770556.db2.gz YVMASQPROUIKRW-FQEVSTJZSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000741424147 667771063 /nfs/dbraw/zinc/77/10/63/667771063.db2.gz BJUUXKHBDVWBKJ-OAQYLSRUSA-N 0 0 322.308 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000741422437 667771105 /nfs/dbraw/zinc/77/11/05/667771105.db2.gz IMFAZHJAUMSYQD-MCMMXHMISA-N 0 0 323.418 0.638 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000742072383 667779761 /nfs/dbraw/zinc/77/97/61/667779761.db2.gz DOSNXRPAFMINPU-HXUWFJFHSA-N 0 0 300.355 0.327 10 0 DCAERN COC(=O)/C(C)=C/CN1C(=O)N[C@](C)(c2ccccn2)C1=O ZINC000742205427 667783538 /nfs/dbraw/zinc/78/35/38/667783538.db2.gz BYHXMYUHJXVLHU-JOZWUWCOSA-N 0 0 303.318 0.968 10 0 DCAERN CC1(C)CO[C@H](CNC(=S)NCCN2CCOCC2)C1 ZINC000717637540 667876608 /nfs/dbraw/zinc/87/66/08/667876608.db2.gz KMBXUERVMKGWNZ-LBPRGKRZSA-N 0 0 301.456 0.598 10 0 DCAERN Cc1ccc(F)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126476099 668600898 /nfs/dbraw/zinc/60/08/98/668600898.db2.gz XZGOZOFIIRZIHP-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN C[C@@H](c1ccc(F)nc1)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000930330549 668996667 /nfs/dbraw/zinc/99/66/67/668996667.db2.gz ZUMCUFFSEWOMBI-WCQYABFASA-N 0 0 310.373 0.400 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115090 669136442 /nfs/dbraw/zinc/13/64/42/669136442.db2.gz NYLPHICKPHIZSF-JSGCOSHPSA-N 0 0 319.409 0.650 10 0 DCAERN Cc1cc(C)n([C@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC000932122133 669320810 /nfs/dbraw/zinc/32/08/10/669320810.db2.gz NRQSZIORUIKQAX-OLZOCXBDSA-N 0 0 318.377 0.716 10 0 DCAERN CC1CCC(N(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000129822175 669569216 /nfs/dbraw/zinc/56/92/16/669569216.db2.gz OFEGRZKRQSYPRZ-CPCZMJQVSA-N 0 0 302.440 0.800 10 0 DCAERN Cc1ccc(N2CCC[C@H]2COC(=O)[C@H]2CNC(=O)C2)nn1 ZINC000129981896 669576753 /nfs/dbraw/zinc/57/67/53/669576753.db2.gz ZLQGXHKNFIHGJT-NEPJUHHUSA-N 0 0 304.350 0.433 10 0 DCAERN CC(=O)N(C)CC(=O)OC[C@@H]1CCCN1c1ccc(C)nn1 ZINC000130053896 669582320 /nfs/dbraw/zinc/58/23/20/669582320.db2.gz JLKFNYKOQVOGCO-ZDUSSCGKSA-N 0 0 306.366 0.775 10 0 DCAERN C[C@H](CN(CCS(C)(=O)=O)C(C)(C)C)CS(C)(=O)=O ZINC000131631410 669675645 /nfs/dbraw/zinc/67/56/45/669675645.db2.gz RAKUQOKAYYQCRF-LLVKDONJSA-N 0 0 313.485 0.812 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1CCO ZINC000187259645 669711564 /nfs/dbraw/zinc/71/15/64/669711564.db2.gz PQPMWOBOCWECEX-JTQLQIEISA-N 0 0 308.338 0.316 10 0 DCAERN CC(C)COCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000191455416 670030245 /nfs/dbraw/zinc/03/02/45/670030245.db2.gz YAWZVEINQATRCW-UHFFFAOYSA-N 0 0 308.338 0.346 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000188909475 670064703 /nfs/dbraw/zinc/06/47/03/670064703.db2.gz PMFULPHPGUYDIM-HIFRSBDPSA-N 0 0 316.361 0.702 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188904136 670064908 /nfs/dbraw/zinc/06/49/08/670064908.db2.gz IRWPRFNINGDBLS-QKCSRTOESA-N 0 0 316.361 0.687 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000189845975 670166714 /nfs/dbraw/zinc/16/67/14/670166714.db2.gz AKEJUPBHCWPLJK-LLVKDONJSA-N 0 0 305.309 0.604 10 0 DCAERN Cn1cc(CN2C[C@@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096329 670178529 /nfs/dbraw/zinc/17/85/29/670178529.db2.gz LBWISHYDSIUGBM-GXSJLCMTSA-N 0 0 304.188 0.500 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)C1CCCCCCC1 ZINC000714304544 670183783 /nfs/dbraw/zinc/18/37/83/670183783.db2.gz ODYBNDHQKZHYIK-UHFFFAOYSA-N 0 0 303.428 0.613 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ncccc2Br)C1 ZINC000714457997 670188937 /nfs/dbraw/zinc/18/89/37/670188937.db2.gz LKEYXRPCICIKTI-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000714489575 670190302 /nfs/dbraw/zinc/19/03/02/670190302.db2.gz ZPVKGOBJGYVZMJ-UHFFFAOYSA-N 0 0 314.341 0.896 10 0 DCAERN C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)c1nc2ccccc2[nH]1 ZINC000076907831 670203716 /nfs/dbraw/zinc/20/37/16/670203716.db2.gz YAQZTCLQEHMMJN-MRVPVSSYSA-N 0 0 314.305 0.558 10 0 DCAERN CCN1C[C@@H](C(=O)NC[C@H](O)c2ccccc2OC)CC1=O ZINC000193218257 670253184 /nfs/dbraw/zinc/25/31/84/670253184.db2.gz HWQMEOAGOLVZFQ-AAEUAGOBSA-N 0 0 306.362 0.713 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000716509169 670266581 /nfs/dbraw/zinc/26/65/81/670266581.db2.gz NTDMFSPCVHSMQB-RHYQMDGZSA-N 0 0 304.412 0.608 10 0 DCAERN Cc1nn[nH]c1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000194599402 670443806 /nfs/dbraw/zinc/44/38/06/670443806.db2.gz QFKQEDYREMVKER-GFCCVEGCSA-N 0 0 317.324 0.783 10 0 DCAERN CC(=O)[C@@H]1CC(C(=O)NC(C)(C)C(N)=O)=NN1c1ccccc1 ZINC000195485329 670495290 /nfs/dbraw/zinc/49/52/90/670495290.db2.gz DYFJCPVRXFVHFA-ZDUSSCGKSA-N 0 0 316.361 0.590 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc1 ZINC000107185572 670607692 /nfs/dbraw/zinc/60/76/92/670607692.db2.gz TXBYKBMKCLPNIN-AWEZNQCLSA-N 0 0 303.362 0.729 10 0 DCAERN O=C(NCCn1cccn1)NCc1cccnc1-n1ccnc1 ZINC000114925735 670892256 /nfs/dbraw/zinc/89/22/56/670892256.db2.gz QGATWZHENSXTEK-UHFFFAOYSA-N 0 0 311.349 0.963 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000116892086 671137226 /nfs/dbraw/zinc/13/72/26/671137226.db2.gz QNBSDCMRYVAVCC-GWCFXTLKSA-N 0 0 320.361 0.622 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000716946904 671770739 /nfs/dbraw/zinc/77/07/39/671770739.db2.gz YZBDQIQXMQVZLT-SNVBAGLBSA-N 0 0 302.396 0.416 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)nn1 ZINC000389910014 685257990 /nfs/dbraw/zinc/25/79/90/685257990.db2.gz IQPWYTMJXURRDX-UHFFFAOYSA-N 0 0 322.177 0.995 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1 ZINC000396737930 685270722 /nfs/dbraw/zinc/27/07/22/685270722.db2.gz MBXZNMCMSOMPIH-QMMMGPOBSA-N 0 0 303.771 0.682 10 0 DCAERN CNc1cc(C(=O)NC[C@H](C)S(N)(=O)=O)cc(Cl)n1 ZINC000398278284 685274422 /nfs/dbraw/zinc/27/44/22/685274422.db2.gz KBUROVFDFMKRHC-LURJTMIESA-N 0 0 306.775 0.184 10 0 DCAERN C[C@@H](CNc1nc(Cl)nc2ccccc21)S(N)(=O)=O ZINC000398268997 685274437 /nfs/dbraw/zinc/27/44/37/685274437.db2.gz ZCTMEYMCGOTLTA-ZETCQYMHSA-N 0 0 300.771 0.794 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000456516674 685289222 /nfs/dbraw/zinc/28/92/22/685289222.db2.gz KWDYGEBHZIQDJB-NWDGAFQWSA-N 0 0 300.424 0.917 10 0 DCAERN CO[C@]1(CNC(=O)c2ccccc2F)CCS(=O)(=O)C1 ZINC000720846763 685315385 /nfs/dbraw/zinc/31/53/85/685315385.db2.gz QECSANGDLFMUJD-ZDUSSCGKSA-N 0 0 301.339 0.759 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@@]1(OC)CCSC1 ZINC000719232133 685309607 /nfs/dbraw/zinc/30/96/07/685309607.db2.gz XFEOOKNVFSMLMV-NSHDSACASA-N 0 0 311.425 0.381 10 0 DCAERN Cc1nc(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)sc1C ZINC000719584161 685311074 /nfs/dbraw/zinc/31/10/74/685311074.db2.gz RTHUOKQNORYIRK-SNVBAGLBSA-N 0 0 317.436 0.153 10 0 DCAERN COC(C)(C)[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000720078270 685311836 /nfs/dbraw/zinc/31/18/36/685311836.db2.gz JIJMIKJBZIFQHC-VIFPVBQESA-N 0 0 300.380 0.877 10 0 DCAERN Cn1cc(CNC(=O)c2cnsn2)c(Br)n1 ZINC000720095220 685312311 /nfs/dbraw/zinc/31/23/11/685312311.db2.gz BMPBEXRJRZFEJR-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN O=S(=O)(NCCOC(F)(F)C(F)(F)F)c1c[nH]cn1 ZINC000720307844 685312468 /nfs/dbraw/zinc/31/24/68/685312468.db2.gz HOUNWGPJAZBUPD-UHFFFAOYSA-N 0 0 309.216 0.860 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000720485501 685313306 /nfs/dbraw/zinc/31/33/06/685313306.db2.gz VNOJSRLWNKTLHO-GHMZBOCLSA-N 0 0 316.452 0.576 10 0 DCAERN C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720482217 685313899 /nfs/dbraw/zinc/31/38/99/685313899.db2.gz KAOVKXMMABNUDW-DCAQKATOSA-N 0 0 301.412 0.681 10 0 DCAERN COC(=O)c1cnc(NC[C@@]2(OC)CCS(=O)(=O)C2)s1 ZINC000720881078 685316582 /nfs/dbraw/zinc/31/65/82/685316582.db2.gz MGKKHDSBKHTFHQ-NSHDSACASA-N 0 0 320.392 0.545 10 0 DCAERN CNc1nc(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)cs1 ZINC000720908111 685317337 /nfs/dbraw/zinc/31/73/37/685317337.db2.gz ZEAQAVKGPFZPAY-LLVKDONJSA-N 0 0 319.408 0.118 10 0 DCAERN COc1cccc(CNC[C@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721229736 685318135 /nfs/dbraw/zinc/31/81/35/685318135.db2.gz OVVFOYLUVNDHDD-CYBMUJFWSA-N 0 0 300.380 0.384 10 0 DCAERN COC(=O)CCCS(=O)(=O)N[C@@H](CCO)C1CCCC1 ZINC000725059474 685319549 /nfs/dbraw/zinc/31/95/49/685319549.db2.gz YXIXTZOBYMEWRZ-LBPRGKRZSA-N 0 0 307.412 0.800 10 0 DCAERN CCN(Cc1ccccc1)C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725005416 685319904 /nfs/dbraw/zinc/31/99/04/685319904.db2.gz STCWRXBHCLVOMO-AWEZNQCLSA-N 0 0 310.419 0.812 10 0 DCAERN CNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C)CC1 ZINC000077613027 685081006 /nfs/dbraw/zinc/08/10/06/685081006.db2.gz MYGLXVYXGDGZEA-HOTGVXAUSA-N 0 0 315.417 0.989 10 0 DCAERN CNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1 ZINC000077613030 685081321 /nfs/dbraw/zinc/08/13/21/685081321.db2.gz MYGLXVYXGDGZEA-HZPDHXFCSA-N 0 0 315.417 0.989 10 0 DCAERN CN(CCS(C)(=O)=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246090308 685160472 /nfs/dbraw/zinc/16/04/72/685160472.db2.gz HOORKQKAXUFWPF-CHWSQXEVSA-N 0 0 318.439 0.133 10 0 DCAERN CC(C)[C@@H]1CC(=O)N(CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000247001054 685168919 /nfs/dbraw/zinc/16/89/19/685168919.db2.gz LWOXOIXLRRRAAF-VXGBXAGGSA-N 0 0 303.428 0.072 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN2CCC[C@@H](NC(C)=O)C2)C1=O ZINC000249947516 685184280 /nfs/dbraw/zinc/18/42/80/685184280.db2.gz ZRLNWLKIOYZNKT-OLZOCXBDSA-N 0 0 310.398 0.655 10 0 DCAERN COc1cccc([C@H](O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000252734879 685187056 /nfs/dbraw/zinc/18/70/56/685187056.db2.gz FDKMOWAUDBHJQG-BZPMIXESSA-N 0 0 306.362 0.889 10 0 DCAERN COCC[C@H](COC)NC(=O)c1cnn(C)c1Br ZINC000379185357 685234540 /nfs/dbraw/zinc/23/45/40/685234540.db2.gz VRBNLTFXHLIVGD-MRVPVSSYSA-N 0 0 320.187 0.964 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCN(C2CC2)CC1 ZINC000386740455 685249912 /nfs/dbraw/zinc/24/99/12/685249912.db2.gz CQXSYCDVBLUUNI-UHFFFAOYSA-N 0 0 314.187 0.498 10 0 DCAERN CCOC(=O)c1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)on1 ZINC000398840531 1157375711 /nfs/dbraw/zinc/37/57/11/1157375711.db2.gz JIOZNSUARXDSHZ-FHZGZLOMSA-N 0 0 302.352 0.690 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1c(N)ccc(F)c1C ZINC000399083314 1157528257 /nfs/dbraw/zinc/52/82/57/1157528257.db2.gz ULTQIQIYROWJMS-UHFFFAOYSA-N 0 0 303.359 0.385 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2cccc(C)c2)CC1 ZINC000198545084 1157696995 /nfs/dbraw/zinc/69/69/95/1157696995.db2.gz OZLFACICWRICOS-UHFFFAOYSA-N 0 0 303.362 0.416 10 0 DCAERN Cn1cc(Br)c(CNC(=O)C2=COCCO2)n1 ZINC000393665442 1157825410 /nfs/dbraw/zinc/82/54/10/1157825410.db2.gz RCBICAGOWFWLOW-UHFFFAOYSA-N 0 0 302.128 0.687 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000040217171 1157993247 /nfs/dbraw/zinc/99/32/47/1157993247.db2.gz DNUANARUCZXTDY-UHFFFAOYSA-N 0 0 318.786 0.693 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000333014094 1158259752 /nfs/dbraw/zinc/25/97/52/1158259752.db2.gz BUAPRNWDURZDRY-VIFPVBQESA-N 0 0 322.398 0.217 10 0 DCAERN CCCn1nc(C(=O)NCCNC(=O)c2ccco2)ccc1=O ZINC000031047208 1171419721 /nfs/dbraw/zinc/41/97/21/1171419721.db2.gz DSFZPUWQRYONFX-UHFFFAOYSA-N 0 0 318.333 0.406 10 0 DCAERN O=C(CNC(=O)Cn1nnc2ccccc21)NCc1ccco1 ZINC000054867551 1171854409 /nfs/dbraw/zinc/85/44/09/1171854409.db2.gz KLEBUXBPJSKRKA-UHFFFAOYSA-N 0 0 313.317 0.457 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)CCOCC(F)(F)F ZINC000061875575 1172265536 /nfs/dbraw/zinc/26/55/36/1172265536.db2.gz OBHQSMRFZQIBOQ-UHFFFAOYSA-N 0 0 315.244 0.130 10 0 DCAERN O=c1ccc2cc(S(=O)(=O)NCc3c[nH]cn3)ccc2o1 ZINC000088759617 1175273622 /nfs/dbraw/zinc/27/36/22/1175273622.db2.gz JGSUMMXVSTXICC-UHFFFAOYSA-N 0 0 305.315 0.995 10 0 DCAERN O=C(NC[C@@H](O)CO)c1c(F)cc(Br)cc1F ZINC000094716561 1175737450 /nfs/dbraw/zinc/73/74/50/1175737450.db2.gz OUGCVTRUWFAENC-ZCFIWIBFSA-N 0 0 310.094 0.810 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1sc2ncccc2c1N ZINC000147515667 1180538755 /nfs/dbraw/zinc/53/87/55/1180538755.db2.gz ZUWNWVSJQRQWGX-UHFFFAOYSA-N 0 0 307.379 0.880 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1ccc(Br)cc1N ZINC000227335264 1180541343 /nfs/dbraw/zinc/54/13/43/1180541343.db2.gz WFERNXADHHZIPF-VIFPVBQESA-N 0 0 317.139 0.295 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000152761765 1180545339 /nfs/dbraw/zinc/54/53/39/1180545339.db2.gz MVSRYSCPEJRDOM-QWHCGFSZSA-N 0 0 309.410 0.668 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)Cn1c2ccccc2oc1=O ZINC000159030491 1180565363 /nfs/dbraw/zinc/56/53/63/1180565363.db2.gz PDGAULGOQBWHED-UHFFFAOYSA-N 0 0 319.361 0.873 10 0 DCAERN COCCCNC(=O)C1CCN(C(=O)C2CCOCC2)CC1 ZINC000240765921 1182513260 /nfs/dbraw/zinc/51/32/60/1182513260.db2.gz AUGJFZLGCDTDQX-UHFFFAOYSA-N 0 0 312.410 0.804 10 0 DCAERN C[C@H](C(=O)NCc1cnccn1)N1C(=O)c2ccccc2C1=O ZINC000243430792 1182686092 /nfs/dbraw/zinc/68/60/92/1182686092.db2.gz MZCGQXNLMMFZMI-SNVBAGLBSA-N 0 0 310.313 0.778 10 0 DCAERN Cc1noc([C@H](NC(=O)N2C[C@@H](C)O[C@@H](CO)C2)C(C)C)n1 ZINC000248694587 1183432677 /nfs/dbraw/zinc/43/26/77/1183432677.db2.gz KLOHXIZANJQYGJ-YUSALJHKSA-N 0 0 312.370 0.866 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCCC1=O ZINC000248831352 1183435435 /nfs/dbraw/zinc/43/54/35/1183435435.db2.gz FHLPFDQMPDYTTQ-MNOVXSKESA-N 0 0 302.396 0.286 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cc2c(C)nn(C)c2C)CC1 ZINC000170894277 1183694752 /nfs/dbraw/zinc/69/47/52/1183694752.db2.gz LCIXDMKXMJHURF-UHFFFAOYSA-N 0 0 306.410 0.954 10 0 DCAERN Cc1occc1C(=O)NC1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC000171015751 1183705318 /nfs/dbraw/zinc/70/53/18/1183705318.db2.gz HRYXSLSJNYOQLU-VIFPVBQESA-N 0 0 322.365 0.366 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cn1nnc2ccccc21 ZINC000171955093 1183793820 /nfs/dbraw/zinc/79/38/20/1183793820.db2.gz WDRPEJYJEFRZGI-LLVKDONJSA-N 0 0 324.406 0.713 10 0 DCAERN Cc1noc([C@H](NC(=O)N[C@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000172267037 1183829862 /nfs/dbraw/zinc/82/98/62/1183829862.db2.gz POEYARABJARFSB-PSASIEDQSA-N 0 0 318.399 0.807 10 0 DCAERN Nc1nc(Cl)cc(=NNC(=O)Cn2nnc3ccccc32)[nH]1 ZINC000182781792 1185188834 /nfs/dbraw/zinc/18/88/34/1185188834.db2.gz NSJABXQROVKZND-UHFFFAOYSA-N 0 0 318.728 0.600 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3ccon3)CC2)n1 ZINC000187392700 1187489847 /nfs/dbraw/zinc/48/98/47/1187489847.db2.gz IDHFFALHJOPZFG-UHFFFAOYSA-N 0 0 307.310 0.162 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)nn2)C1 ZINC000311797886 1190392446 /nfs/dbraw/zinc/39/24/46/1190392446.db2.gz KBPRYRVLHBRPRB-MRVPVSSYSA-N 0 0 303.771 0.779 10 0 DCAERN NS(=O)(=O)CCCCNc1nc(Cl)nc2nc[nH]c21 ZINC000311940871 1190393295 /nfs/dbraw/zinc/39/32/95/1190393295.db2.gz WCFCLPKJQDRGCA-UHFFFAOYSA-N 0 0 304.763 0.487 10 0 DCAERN CC[C@@](C)(NS(=O)(=O)c1ccc(Cl)nc1C)C(N)=O ZINC000388905918 1190700377 /nfs/dbraw/zinc/70/03/77/1190700377.db2.gz MCNBKGFHMUEXHB-LLVKDONJSA-N 0 0 305.787 0.976 10 0 DCAERN COC(=O)c1sc(NCC[C@]2(O)CCOC2)nc1Cl ZINC000404135613 747432112 /nfs/dbraw/zinc/43/21/12/747432112.db2.gz BYTXWKMKAVNRHZ-NSHDSACASA-N 0 0 306.771 0.958 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccccc2OCC(N)=O)CC1 ZINC000041844254 766929192 /nfs/dbraw/zinc/92/91/92/766929192.db2.gz VKQWGOVSPOXXCH-UHFFFAOYSA-N 0 0 319.361 0.245 10 0 DCAERN CC(C)(CNC(=O)c1cccc(Cl)c1N)NS(C)(=O)=O ZINC000155933234 772257005 /nfs/dbraw/zinc/25/70/05/772257005.db2.gz QLGHBVDAIGOJKK-UHFFFAOYSA-N 0 0 319.814 0.980 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(F)ccc2N)C1 ZINC000400130716 774020743 /nfs/dbraw/zinc/02/07/43/774020743.db2.gz FXIBGQWUFOSYFF-VIFPVBQESA-N 0 0 301.343 0.172 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cccnc1F ZINC000401937148 774071945 /nfs/dbraw/zinc/07/19/45/774071945.db2.gz NFEXUABKCIYFBF-RKDXNWHRSA-N 0 0 301.343 0.495 10 0 DCAERN O=S1(=O)CCCN1CCNCc1nc(Br)c[nH]1 ZINC000405339334 774161559 /nfs/dbraw/zinc/16/15/59/774161559.db2.gz MBDNTQGXVFEUDS-UHFFFAOYSA-N 0 0 323.216 0.297 10 0 DCAERN COC[C@H](C)NC(=S)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724336043 939297783 /nfs/dbraw/zinc/29/77/83/939297783.db2.gz UBMYSTKTNCTSHT-OFLUOSHYSA-N 0 0 306.453 0.594 10 0 DCAERN CS(=O)(=O)CCCC[NH2+]CC1(O)CCC(C(=O)[O-])CC1 ZINC000692784284 954710167 /nfs/dbraw/zinc/71/01/67/954710167.db2.gz LGWJYFAAENXCAC-UHFFFAOYSA-N 0 0 307.412 0.407 10 0 DCAERN CC(C)(C)[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690672667 976327439 /nfs/dbraw/zinc/32/74/39/976327439.db2.gz DKYVIFLZRZFFHO-GHMZBOCLSA-N 0 0 306.428 0.747 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076629391 185027551 /nfs/dbraw/zinc/02/75/51/185027551.db2.gz JFUUZEPJCXGNPE-ZDUSSCGKSA-N 0 0 301.346 0.676 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000078899722 185125223 /nfs/dbraw/zinc/12/52/23/185125223.db2.gz RMWVGBGFYJVXSV-QWHCGFSZSA-N 0 0 307.398 0.762 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1cnn(C(C)(C)C)c1)C2 ZINC000328630613 231266825 /nfs/dbraw/zinc/26/68/25/231266825.db2.gz QAHXYVXKPCDZBU-UHFFFAOYSA-N 0 0 315.377 0.930 10 0 DCAERN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)[C@H]1CCCO1 ZINC000087896332 185235730 /nfs/dbraw/zinc/23/57/30/185235730.db2.gz NMHGLLJEPUWEAO-QPUJVOFHSA-N 0 0 316.354 0.770 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 ZINC000088198193 185241671 /nfs/dbraw/zinc/24/16/71/185241671.db2.gz SFUOITXLEDQHOA-VIFPVBQESA-N 0 0 304.354 0.400 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)C(N)=O ZINC000088501204 185254469 /nfs/dbraw/zinc/25/44/69/185254469.db2.gz ZWHGLBLSEUMZLL-SECBINFHSA-N 0 0 308.386 0.486 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000286593551 219072376 /nfs/dbraw/zinc/07/23/76/219072376.db2.gz WHRWDDCDSCWBAX-LBPRGKRZSA-N 0 0 304.680 0.681 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178424719 529704746 /nfs/dbraw/zinc/70/47/46/529704746.db2.gz GGANXMMZRZUXBS-CMPLNLGQSA-N 0 0 300.403 0.361 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)N[C@H]1CCCC[C@H]1O ZINC000170891497 295696986 /nfs/dbraw/zinc/69/69/86/295696986.db2.gz FSWRHZFJEXXDOD-QWHCGFSZSA-N 0 0 316.365 0.765 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NC(C)(C)CC)C1 ZINC000092843542 185345503 /nfs/dbraw/zinc/34/55/03/185345503.db2.gz CXPJJQIUFRTOCE-LLVKDONJSA-N 0 0 305.444 0.305 10 0 DCAERN COC(C)(C)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000181584633 199322188 /nfs/dbraw/zinc/32/21/88/199322188.db2.gz RLPQLWBFJAUDHV-UHFFFAOYSA-N 0 0 320.455 0.978 10 0 DCAERN CNC(=O)CC(=O)NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000184602194 529844774 /nfs/dbraw/zinc/84/47/74/529844774.db2.gz HBXDZCDPIUPOKG-GFCCVEGCSA-N 0 0 305.378 0.774 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000183108030 199538435 /nfs/dbraw/zinc/53/84/35/199538435.db2.gz YWSVTGGNMXRWNH-RYUDHWBXSA-N 0 0 321.377 0.300 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000158739420 529902624 /nfs/dbraw/zinc/90/26/24/529902624.db2.gz FVZDLLSAIXASAV-RYUDHWBXSA-N 0 0 310.398 0.307 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccnn1C(C)C)C(C)C ZINC000179077506 529895843 /nfs/dbraw/zinc/89/58/43/529895843.db2.gz XYRQWEXTCLBMNN-NSHDSACASA-N 0 0 309.370 0.289 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)C ZINC000178848176 529920620 /nfs/dbraw/zinc/92/06/20/529920620.db2.gz BUPSXYZJKRWWEE-GFCCVEGCSA-N 0 0 323.397 0.394 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1C ZINC000286734417 219136343 /nfs/dbraw/zinc/13/63/43/219136343.db2.gz TVMJKJGLAQWNGQ-VIFPVBQESA-N 0 0 317.798 0.943 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000046287001 190675003 /nfs/dbraw/zinc/67/50/03/190675003.db2.gz OYOWKRVEOSFTNQ-UHFFFAOYSA-N 0 0 321.425 0.621 10 0 DCAERN CCC1(CC)CN(C(=O)C2(O)CCOCC2)CC[S@]1=O ZINC000408325869 282356803 /nfs/dbraw/zinc/35/68/03/282356803.db2.gz FZXOCJNJIJJLMV-FQEVSTJZSA-N 0 0 303.424 0.678 10 0 DCAERN CCOC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000044413944 545650878 /nfs/dbraw/zinc/65/08/78/545650878.db2.gz JNIUHKWKTLFOKO-JTQLQIEISA-N 0 0 300.380 0.797 10 0 DCAERN CN(C[C@H]1CCCOC1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000107649282 185486560 /nfs/dbraw/zinc/48/65/60/185486560.db2.gz WFPKVPLGZOAIFQ-LLVKDONJSA-N 0 0 319.365 0.015 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)CCCOC)CC[S@]1=O ZINC000184312746 282375565 /nfs/dbraw/zinc/37/55/65/282375565.db2.gz SEXJNAXSFASHAO-SFHVURJKSA-N 0 0 311.469 0.976 10 0 DCAERN CCC1(CC)CN([C@@H](C)C(=O)NC(=O)NC)CC[S@]1=O ZINC000185255866 282377424 /nfs/dbraw/zinc/37/74/24/282377424.db2.gz QFZGXQGIKRJGSZ-FVINQWEUSA-N 0 0 303.428 0.454 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(CO)c2)CC1 ZINC000181715207 199342764 /nfs/dbraw/zinc/34/27/64/199342764.db2.gz IQVUKICFDMZIQW-MRXNPFEDSA-N 0 0 321.421 0.777 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)C1CCOCC1 ZINC000407996210 290760756 /nfs/dbraw/zinc/76/07/56/290760756.db2.gz CPGKGSGAGXJBFE-AAEUAGOBSA-N 0 0 318.439 0.589 10 0 DCAERN C[NH2+][C@@H](CCn1cc(I)cn1)C(=O)[O-] ZINC000070678681 545660524 /nfs/dbraw/zinc/66/05/24/545660524.db2.gz OOKNXOLHVVYJFK-ZETCQYMHSA-N 0 0 309.107 0.550 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC(=O)Nc2ccccc21 ZINC000279784236 215142746 /nfs/dbraw/zinc/14/27/46/215142746.db2.gz HQPYSZOQMSGKSA-UHFFFAOYSA-N 0 0 303.318 0.221 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NCCCC(N)=O)[C@@H]1c1ccccc1 ZINC000171990952 282608721 /nfs/dbraw/zinc/60/87/21/282608721.db2.gz SUDMTTCFYPBALE-CJNGLKHVSA-N 0 0 317.389 0.978 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)NCc1ccc(CO)c(F)c1 ZINC000170853378 197836489 /nfs/dbraw/zinc/83/64/89/197836489.db2.gz RQMQZOSRYJRDJM-UHFFFAOYSA-N 0 0 324.352 0.573 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000287085032 219303564 /nfs/dbraw/zinc/30/35/64/219303564.db2.gz WTPMYCBUWWJISH-PWSUYJOCSA-N 0 0 303.297 0.305 10 0 DCAERN CCCN(CC(=O)OC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000171488328 186167600 /nfs/dbraw/zinc/16/76/00/186167600.db2.gz JAFUMBASJRQBKH-UHFFFAOYSA-N 0 0 305.334 0.741 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCCn2ncnc21 ZINC000175709243 186190896 /nfs/dbraw/zinc/19/08/96/186190896.db2.gz RCDUJPDLDUPIDG-NSHDSACASA-N 0 0 312.333 0.572 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1N1CCOCC1 ZINC000175656960 186185739 /nfs/dbraw/zinc/18/57/39/186185739.db2.gz SOEQIKMKEQIKOU-LSDHHAIUSA-N 0 0 321.425 0.635 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2nccn(C)c2=O)C1 ZINC000183883675 186227366 /nfs/dbraw/zinc/22/73/66/186227366.db2.gz RMFIVMPZIOOFDJ-LLVKDONJSA-N 0 0 321.381 0.693 10 0 DCAERN C[C@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)CCS1(=O)=O ZINC000280040914 215330889 /nfs/dbraw/zinc/33/08/89/215330889.db2.gz GUIGVTAZGRJEMB-JTQLQIEISA-N 0 0 307.375 0.751 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCCNC(=O)c1ccccc1 ZINC000171900017 198004070 /nfs/dbraw/zinc/00/40/70/198004070.db2.gz BAPJJXHYVAQSCO-UHFFFAOYSA-N 0 0 306.366 0.194 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCc2ccsc2)C1 ZINC000172057270 198032336 /nfs/dbraw/zinc/03/23/36/198032336.db2.gz QYNIEIXGXGHUFZ-LLVKDONJSA-N 0 0 317.436 0.624 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@H](C3OCCO3)C2)c1 ZINC000172291310 198071964 /nfs/dbraw/zinc/07/19/64/198071964.db2.gz LHZUYRQXHJSGTO-ZDUSSCGKSA-N 0 0 308.382 0.986 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC[C@@H](OCCO)C2)cc1 ZINC000172298230 198073663 /nfs/dbraw/zinc/07/36/63/198073663.db2.gz QPLCDCVVJDVSQB-MRXNPFEDSA-N 0 0 322.405 0.785 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1ccccn1)c1cccs1 ZINC000172416401 198094082 /nfs/dbraw/zinc/09/40/82/198094082.db2.gz MZUUPTTUKWHXLL-HNNXBMFYSA-N 0 0 319.386 0.897 10 0 DCAERN Cc1c([C@@H](C)NC(=O)CNC(=O)c2ccccn2)cnn1C ZINC000172509420 198108123 /nfs/dbraw/zinc/10/81/23/198108123.db2.gz YJNKOBOOFYOVPE-SNVBAGLBSA-N 0 0 301.350 0.731 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172561164 198115895 /nfs/dbraw/zinc/11/58/95/198115895.db2.gz YXQQTXLPYQBOEO-NXEZZACHSA-N 0 0 314.363 0.043 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000172605837 198122736 /nfs/dbraw/zinc/12/27/36/198122736.db2.gz JCTYADHJDYTCNQ-OLZOCXBDSA-N 0 0 307.398 0.762 10 0 DCAERN CCOC(=O)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C ZINC000072416819 191156055 /nfs/dbraw/zinc/15/60/55/191156055.db2.gz MDCJLVPHJRAPGY-UHFFFAOYSA-N 0 0 318.333 0.640 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2ccccn2)[C@H]2CCO[C@@H]21 ZINC000172864427 198159799 /nfs/dbraw/zinc/15/97/99/198159799.db2.gz KFVRSRRKCIOAHA-HONMWMINSA-N 0 0 303.362 0.741 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cn[nH]c2)ncn1 ZINC000173426472 198213466 /nfs/dbraw/zinc/21/34/66/198213466.db2.gz OIISWQICJQBFBN-NSHDSACASA-N 0 0 301.354 0.640 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)COC)ncn1 ZINC000173428116 198213695 /nfs/dbraw/zinc/21/36/95/198213695.db2.gz MJXCJWHRJDMTET-NWDGAFQWSA-N 0 0 307.398 0.886 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)C(=O)NCc1ccc(F)cc1 ZINC000173466923 198217440 /nfs/dbraw/zinc/21/74/40/198217440.db2.gz WOQYKUNWFKYSPK-UHFFFAOYSA-N 0 0 310.325 0.900 10 0 DCAERN Cc1nc(CNC(=O)CCNC(=O)c2ccc(C)cc2O)no1 ZINC000173625198 198233451 /nfs/dbraw/zinc/23/34/51/198233451.db2.gz DNESDYOWZQOEHY-UHFFFAOYSA-N 0 0 318.333 0.828 10 0 DCAERN O=C(NCCCn1cccn1)N1CCC[C@H](n2cncn2)C1 ZINC000173731139 198245731 /nfs/dbraw/zinc/24/57/31/198245731.db2.gz UUPIBNVUIMUGFS-ZDUSSCGKSA-N 0 0 303.370 0.911 10 0 DCAERN CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000173882580 198263902 /nfs/dbraw/zinc/26/39/02/198263902.db2.gz SLCINQGXYIUVFZ-OLZOCXBDSA-N 0 0 316.357 0.862 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)[C@H](C)NS(C)(=O)=O)c2)no1 ZINC000174289311 198315391 /nfs/dbraw/zinc/31/53/91/198315391.db2.gz ZLILXALTNGPZOM-QMMMGPOBSA-N 0 0 324.362 0.921 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174289365 198315570 /nfs/dbraw/zinc/31/55/70/198315570.db2.gz PGEQXCUYNJMSLX-UONOGXRCSA-N 0 0 322.405 0.988 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174289352 198315884 /nfs/dbraw/zinc/31/58/84/198315884.db2.gz PGEQXCUYNJMSLX-ZIAGYGMSSA-N 0 0 322.405 0.988 10 0 DCAERN CN(c1cccnn1)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000174650504 198365997 /nfs/dbraw/zinc/36/59/97/198365997.db2.gz UGLOBSPKUSMGCF-CQSZACIVSA-N 0 0 319.409 0.234 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000174671887 198368797 /nfs/dbraw/zinc/36/87/97/198368797.db2.gz DAVMMKCQHSZTAD-HNNXBMFYSA-N 0 0 305.378 0.784 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CCO2)n1 ZINC000174771595 198382483 /nfs/dbraw/zinc/38/24/83/198382483.db2.gz JMLUGRXCDALKCZ-CABCVRRESA-N 0 0 322.409 0.058 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C)on3)C2=O)n(C)n1 ZINC000175001764 198414525 /nfs/dbraw/zinc/41/45/25/198414525.db2.gz HFRGSPNJUQXMOH-NSHDSACASA-N 0 0 317.349 0.950 10 0 DCAERN CC(C)OCCS(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000175070730 198423718 /nfs/dbraw/zinc/42/37/18/198423718.db2.gz QMLLXORBQYZWIR-UHFFFAOYSA-N 0 0 314.407 0.761 10 0 DCAERN COc1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)ncn1 ZINC000182209282 199404064 /nfs/dbraw/zinc/40/40/64/199404064.db2.gz ZUXZLQLDOUUCOG-JTQLQIEISA-N 0 0 303.326 0.946 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCCn2ncnc21 ZINC000175821742 198512747 /nfs/dbraw/zinc/51/27/47/198512747.db2.gz ZEVNRWOBHAGEJK-GFCCVEGCSA-N 0 0 317.324 0.798 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000176068668 198542784 /nfs/dbraw/zinc/54/27/84/198542784.db2.gz PAXMWWQCBWQSSQ-CMPLNLGQSA-N 0 0 307.354 0.272 10 0 DCAERN C[C@H](O)CCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182535120 199455182 /nfs/dbraw/zinc/45/51/82/199455182.db2.gz SILYCESWAALVRT-AAEUAGOBSA-N 0 0 306.366 0.647 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408237880 283088039 /nfs/dbraw/zinc/08/80/39/283088039.db2.gz PVNFWGXMQQGQAB-NWDGAFQWSA-N 0 0 321.443 0.141 10 0 DCAERN CCc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)s1 ZINC000074784581 191360290 /nfs/dbraw/zinc/36/02/90/191360290.db2.gz LHNJUENHJKMLRJ-UHFFFAOYSA-N 0 0 318.420 0.448 10 0 DCAERN C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)[C@@H]1CCCO1 ZINC000073720032 191346264 /nfs/dbraw/zinc/34/62/64/191346264.db2.gz KHULXXMGCHRIIW-MFKMUULPSA-N 0 0 306.366 0.416 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408344851 293741302 /nfs/dbraw/zinc/74/13/02/293741302.db2.gz BJNVXVJLPSUPQF-NFAWXSAZSA-N 0 0 320.393 0.577 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)CCc2ccccc2O)C1=O ZINC000177572451 198746532 /nfs/dbraw/zinc/74/65/32/198746532.db2.gz YXOVBVQHTDRVSW-GFCCVEGCSA-N 0 0 304.346 0.977 10 0 DCAERN O=C(Nc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177625350 198753445 /nfs/dbraw/zinc/75/34/45/198753445.db2.gz WFDDKODFOYFFOJ-SECBINFHSA-N 0 0 321.287 0.626 10 0 DCAERN CN1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1=O ZINC000329423890 283183273 /nfs/dbraw/zinc/18/32/73/283183273.db2.gz GHZZWCHHKAAPAM-NSHDSACASA-N 0 0 311.407 0.336 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CCCO2)c(C)o1 ZINC000081730649 192318322 /nfs/dbraw/zinc/31/83/22/192318322.db2.gz DRMAZCPOSQKYBV-SNVBAGLBSA-N 0 0 316.379 0.747 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2cccc3c2OCCC3)CC1=O ZINC000371210091 283194757 /nfs/dbraw/zinc/19/47/57/283194757.db2.gz POQIBBHPBAJLER-NSHDSACASA-N 0 0 317.345 0.297 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cnc2n(c1=O)CCS2 ZINC000085981702 192541650 /nfs/dbraw/zinc/54/16/50/192541650.db2.gz VZOGMBZLPWPPBK-MWLCHTKSSA-N 0 0 309.391 0.630 10 0 DCAERN O=S1(=O)CC[C@@H](n2cnc(I)n2)C1 ZINC000086788920 192599049 /nfs/dbraw/zinc/59/90/49/192599049.db2.gz BXDKPOPWJBUHAG-RXMQYKEDSA-N 0 0 313.120 0.242 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000179253997 199005568 /nfs/dbraw/zinc/00/55/68/199005568.db2.gz LOPNWQOTPYRGQT-BMFZPTHFSA-N 0 0 304.390 0.899 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)CC1 ZINC000179400872 199029087 /nfs/dbraw/zinc/02/90/87/199029087.db2.gz WMJZMHBOQHHILT-CYBMUJFWSA-N 0 0 322.409 0.135 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000179476761 199041967 /nfs/dbraw/zinc/04/19/67/199041967.db2.gz CDFOWHJWJKEIHV-LBPRGKRZSA-N 0 0 300.330 0.515 10 0 DCAERN CCCN1CCCN(C(=O)N[C@H]2CCCn3ncnc32)CC1=O ZINC000190207268 283326436 /nfs/dbraw/zinc/32/64/36/283326436.db2.gz YSHOOLQBXPIXPF-LBPRGKRZSA-N 0 0 320.397 0.767 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)cs1 ZINC000180207932 199130755 /nfs/dbraw/zinc/13/07/55/199130755.db2.gz SINOALQJRFJXQX-ZETCQYMHSA-N 0 0 319.180 0.837 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1F ZINC000180587860 199180370 /nfs/dbraw/zinc/18/03/70/199180370.db2.gz WDAUNHDCGGOZKC-NSHDSACASA-N 0 0 309.341 0.519 10 0 DCAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000180788937 199209326 /nfs/dbraw/zinc/20/93/26/199209326.db2.gz BRPHHZLDTYLDQA-VIFPVBQESA-N 0 0 315.251 0.660 10 0 DCAERN O=C(Nc1nc2c(s1)COCC2)N[C@@H]1CCc2ncnn2C1 ZINC000190188389 295972008 /nfs/dbraw/zinc/97/20/08/295972008.db2.gz FEZRFKBQKCSSFQ-MRVPVSSYSA-N 0 0 320.378 0.944 10 0 DCAERN O=C(NC[C@H]1COC2(CCOCC2)O1)[C@H]1CCCc2n[nH]cc21 ZINC000180819286 199213031 /nfs/dbraw/zinc/21/30/31/199213031.db2.gz IVTAVSIFWDLNFY-RYUDHWBXSA-N 0 0 321.377 0.868 10 0 DCAERN O=C(NCCNC(=O)c1cnn2c1CCCC2)c1ccn[nH]1 ZINC000180923067 199228414 /nfs/dbraw/zinc/22/84/14/199228414.db2.gz HGCXSGTVIQCYKE-UHFFFAOYSA-N 0 0 302.338 0.102 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2nc[nH]n2)cn1C ZINC000180932012 199229400 /nfs/dbraw/zinc/22/94/00/199229400.db2.gz YTAKDWIQJAEFLD-SNVBAGLBSA-N 0 0 310.383 0.763 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180867861 199221035 /nfs/dbraw/zinc/22/10/35/199221035.db2.gz LVGVWAQANBDUGK-LLVKDONJSA-N 0 0 321.381 0.082 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155399371 237042054 /nfs/dbraw/zinc/04/20/54/237042054.db2.gz NRLNEROXRFKCRZ-CHWSQXEVSA-N 0 0 302.440 0.752 10 0 DCAERN Cc1cc(N2CC[C@@H](NC(=O)[C@]3(C)CCCO3)C2=O)n(C)n1 ZINC000153615963 237020059 /nfs/dbraw/zinc/02/00/59/237020059.db2.gz OTBWHKLDXCRYDD-ABAIWWIYSA-N 0 0 306.366 0.519 10 0 DCAERN COCCN(CCO)S(=O)(=O)c1cccc2ncccc21 ZINC000158672952 237068075 /nfs/dbraw/zinc/06/80/75/237068075.db2.gz FEPKHIQMJPHABS-UHFFFAOYSA-N 0 0 310.375 0.864 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000159163628 237072903 /nfs/dbraw/zinc/07/29/03/237072903.db2.gz XWCXHCDUYYVSIJ-JTQLQIEISA-N 0 0 321.395 0.774 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)NCC2(C)CCC2)CC1 ZINC000174993084 237174543 /nfs/dbraw/zinc/17/45/43/237174543.db2.gz HKQGEXSHOOTAFP-UHFFFAOYSA-N 0 0 303.428 0.854 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)NCCS(N)(=O)=O)cc1F ZINC000176914004 237207208 /nfs/dbraw/zinc/20/72/08/237207208.db2.gz MTALLXNSWOFXMN-VIFPVBQESA-N 0 0 303.359 0.783 10 0 DCAERN O=C(c1cncc(F)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000177542144 237214864 /nfs/dbraw/zinc/21/48/64/237214864.db2.gz LOILCQGBGTZXPA-GFCCVEGCSA-N 0 0 321.352 0.932 10 0 DCAERN O=C1NCC[C@@H]1Sc1nc2ccccc2c(=O)n1CCCO ZINC000179003532 237244821 /nfs/dbraw/zinc/24/48/21/237244821.db2.gz MZXBLIKMDQIPRP-LBPRGKRZSA-N 0 0 319.386 0.760 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)CC(C)(C)C)C[C@@H](C)O1 ZINC000178774966 237240010 /nfs/dbraw/zinc/24/00/10/237240010.db2.gz IFLNSVNTEKYVKY-IJLUTSLNSA-N 0 0 308.444 0.727 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)CO ZINC000119752777 545741336 /nfs/dbraw/zinc/74/13/36/545741336.db2.gz BJOPPFBJFGHURT-LLVKDONJSA-N 0 0 306.428 0.325 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187267520 200085941 /nfs/dbraw/zinc/08/59/41/200085941.db2.gz OKFABDMASJHBHT-GFCCVEGCSA-N 0 0 305.378 0.784 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)c2coc(S(N)(=O)=O)c2)O1 ZINC000187339280 200098179 /nfs/dbraw/zinc/09/81/79/200098179.db2.gz SLYHKJVQLQOFDO-VIFPVBQESA-N 0 0 302.352 0.614 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(C(=O)C3(O)CCC3)CC2)n1 ZINC000185964841 237304220 /nfs/dbraw/zinc/30/42/20/237304220.db2.gz BPGVUJAINHUZRJ-LLVKDONJSA-N 0 0 308.382 0.752 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000186722176 237322042 /nfs/dbraw/zinc/32/20/42/237322042.db2.gz BRTUZODHGYQUHS-SMDDNHRTSA-N 0 0 306.362 0.654 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000187626338 200136749 /nfs/dbraw/zinc/13/67/49/200136749.db2.gz UCMGPKSCCQYWDO-GRYCIOLGSA-N 0 0 306.428 0.876 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCC[C@@H]2CCO)C1 ZINC000188463710 237372600 /nfs/dbraw/zinc/37/26/00/237372600.db2.gz ZHXKZEDBMZFVFY-OCCSQVGLSA-N 0 0 300.399 0.984 10 0 DCAERN C[C@H]1CN(C(=O)COCCOc2ccccc2)CCN1CCO ZINC000188704997 237377722 /nfs/dbraw/zinc/37/77/22/237377722.db2.gz IKVSIEVAEZIVBQ-HNNXBMFYSA-N 0 0 322.405 0.607 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)CC2(CO)CC2)cc1 ZINC000189092343 237386070 /nfs/dbraw/zinc/38/60/70/237386070.db2.gz WAFYBAKLCKJQTN-UHFFFAOYSA-N 0 0 306.362 0.656 10 0 DCAERN COCCc1cc(NC(=O)N2CCN(C)C(=O)[C@H]2C)n(C)n1 ZINC000189185020 237390292 /nfs/dbraw/zinc/39/02/92/237390292.db2.gz HJSUHLZTOCOTMD-SNVBAGLBSA-N 0 0 309.370 0.303 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000189311586 237395352 /nfs/dbraw/zinc/39/53/52/237395352.db2.gz CUOHBWWFFNWVEO-ZJUUUORDSA-N 0 0 324.406 0.747 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@H]1CCCO1 ZINC000281144904 216109152 /nfs/dbraw/zinc/10/91/52/216109152.db2.gz HXPWGTYCSKLOFC-MELADBBJSA-N 0 0 324.400 0.970 10 0 DCAERN C[C@]1(C(=O)N2CCO[C@@H](Cn3cccn3)C2)CCC(=O)NC1 ZINC000281135338 216103333 /nfs/dbraw/zinc/10/33/33/216103333.db2.gz DINJNPQCURJNDK-DOMZBBRYSA-N 0 0 306.366 0.027 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000153683599 291208094 /nfs/dbraw/zinc/20/80/94/291208094.db2.gz PNLZPEKEXWAXFF-NWDGAFQWSA-N 0 0 308.382 0.899 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188721680 200294786 /nfs/dbraw/zinc/29/47/86/200294786.db2.gz VXGADWKZQCVSTN-JTQLQIEISA-N 0 0 320.436 0.444 10 0 DCAERN CC[C@H]1CN(CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686706 291208319 /nfs/dbraw/zinc/20/83/19/291208319.db2.gz WMDAZYPJRSUYDL-ZDUSSCGKSA-N 0 0 319.396 0.943 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)nc2C)C1 ZINC000154849444 291216196 /nfs/dbraw/zinc/21/61/96/291216196.db2.gz UZIQVPWELNOLAP-ZDUSSCGKSA-N 0 0 318.377 0.764 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000155212400 291218549 /nfs/dbraw/zinc/21/85/49/291218549.db2.gz YGPYRTFFZAZSPM-LLVKDONJSA-N 0 0 321.381 0.218 10 0 DCAERN CCc1noc(C)c1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000155463785 291219617 /nfs/dbraw/zinc/21/96/17/291219617.db2.gz XEMBAXGZPCCJMW-UHFFFAOYSA-N 0 0 310.354 0.868 10 0 DCAERN O=C(CS(=O)(=O)Cc1nc(C2CCCC2)no1)NC1CC1 ZINC000155427536 291219671 /nfs/dbraw/zinc/21/96/71/291219671.db2.gz FFLZERJYTPZHBL-UHFFFAOYSA-N 0 0 313.379 0.921 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CCCO1 ZINC000287911843 219801984 /nfs/dbraw/zinc/80/19/84/219801984.db2.gz VJLWTCOLMQWPLW-NWDGAFQWSA-N 0 0 321.381 0.257 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000157836338 291229627 /nfs/dbraw/zinc/22/96/27/291229627.db2.gz FAUUQMRVKDOCJD-FRRDWIJNSA-N 0 0 300.399 0.847 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000158914442 291233090 /nfs/dbraw/zinc/23/30/90/291233090.db2.gz CXOUIXQFORJXQQ-AAEUAGOBSA-N 0 0 313.361 0.971 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000158914297 291232604 /nfs/dbraw/zinc/23/26/04/291232604.db2.gz CXOUIXQFORJXQQ-DGCLKSJQSA-N 0 0 313.361 0.971 10 0 DCAERN O=C(N1CCOCC1)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301599710 229766844 /nfs/dbraw/zinc/76/68/44/229766844.db2.gz UNZQLRWMAXNGIH-UHFFFAOYSA-N 0 0 323.422 0.990 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(C(N)=O)nc1 ZINC000163812354 291246973 /nfs/dbraw/zinc/24/69/73/291246973.db2.gz MRVQENGDQUMXEO-UHFFFAOYSA-N 0 0 316.365 0.895 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000163627355 291246980 /nfs/dbraw/zinc/24/69/80/291246980.db2.gz PXGJNMWVLKBVSJ-GHMZBOCLSA-N 0 0 321.381 0.344 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163679550 291247108 /nfs/dbraw/zinc/24/71/08/291247108.db2.gz GCOKEVIJXMNSOO-GHMZBOCLSA-N 0 0 305.382 0.986 10 0 DCAERN Cc1n[nH]cc1CNC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000276571105 238325040 /nfs/dbraw/zinc/32/50/40/238325040.db2.gz TUOWVZYSAXLEQG-OAHLLOKOSA-N 0 0 321.425 0.970 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CC(C)(C(N)=O)C3)ccc21 ZINC000566277538 291290447 /nfs/dbraw/zinc/29/04/47/291290447.db2.gz KPMZNEUQWQOWEB-UHFFFAOYSA-N 0 0 301.346 0.543 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)Nc1cn(C)nn1 ZINC000566712807 291319487 /nfs/dbraw/zinc/31/94/87/291319487.db2.gz VBKMCAWUPXOVND-UHFFFAOYSA-N 0 0 301.350 0.845 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408078137 291327862 /nfs/dbraw/zinc/32/78/62/291327862.db2.gz BDAFIYSHGAANJU-RYUDHWBXSA-N 0 0 305.396 0.913 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408456621 291327922 /nfs/dbraw/zinc/32/79/22/291327922.db2.gz JXONCCXFQZJWTD-UTUOFQBUSA-N 0 0 305.396 0.911 10 0 DCAERN O=C1[C@@H]2COCCN2C(=O)N1c1cccc(N2CCOCC2)c1 ZINC000567212928 291342458 /nfs/dbraw/zinc/34/24/58/291342458.db2.gz PYDYBLLWJXUDRX-AWEZNQCLSA-N 0 0 317.345 0.691 10 0 DCAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC(CO)C2)c1 ZINC000091487619 193063563 /nfs/dbraw/zinc/06/35/63/193063563.db2.gz RNVQARGIVUIUMJ-UHFFFAOYSA-N 0 0 319.766 0.739 10 0 DCAERN Cc1nccn1CC(=O)N1CCC2(C[NH2+][C@H](C(=O)[O-])C2)CC1 ZINC000091655956 193086264 /nfs/dbraw/zinc/08/62/64/193086264.db2.gz SLZMZUUTADQZRQ-LBPRGKRZSA-N 0 0 306.366 0.247 10 0 DCAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091778845 193106133 /nfs/dbraw/zinc/10/61/33/193106133.db2.gz PBHUMQYBGKEOOY-AWEZNQCLSA-N 0 0 314.345 0.507 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785164 193107718 /nfs/dbraw/zinc/10/77/18/193107718.db2.gz JQNZFAAGTYWIBL-LLVKDONJSA-N 0 0 312.753 0.740 10 0 DCAERN O=C(NCCOc1ccc(F)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000457788538 241036592 /nfs/dbraw/zinc/03/65/92/241036592.db2.gz CISWDPKRWAXHGC-GFCCVEGCSA-N 0 0 323.328 0.156 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCC(=O)NCC2CC2)cn1 ZINC000479621640 241075232 /nfs/dbraw/zinc/07/52/32/241075232.db2.gz LROZAIXTKDZHHD-UHFFFAOYSA-N 0 0 306.366 0.463 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(CC)C2)C1 ZINC000459036569 241054076 /nfs/dbraw/zinc/05/40/76/241054076.db2.gz DQXQETYBWOBGJR-NWDGAFQWSA-N 0 0 310.398 0.307 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408335192 291380682 /nfs/dbraw/zinc/38/06/82/291380682.db2.gz FVCCDSVVLFCTCH-LOWDOPEQSA-N 0 0 319.423 0.751 10 0 DCAERN CCC[C@](C)(NC(=O)[C@H](NC(N)=O)[C@@H](C)CC)C(=O)OC ZINC000036817268 284009577 /nfs/dbraw/zinc/00/95/77/284009577.db2.gz MFNKGBJBIGKUMT-RBZYPMLTSA-N 0 0 301.387 0.917 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)o1 ZINC000275231845 212213755 /nfs/dbraw/zinc/21/37/55/212213755.db2.gz JNSRXMUXPNJZFM-QMMMGPOBSA-N 0 0 300.336 0.239 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000282124949 216760645 /nfs/dbraw/zinc/76/06/45/216760645.db2.gz VBMOPBKQKJIIDB-UHFFFAOYSA-N 0 0 300.355 0.866 10 0 DCAERN Cc1ccn2c(CN3CC[C@H](NS(C)(=O)=O)C3)cnc2c1 ZINC000093531033 193265177 /nfs/dbraw/zinc/26/51/77/193265177.db2.gz UYXNCRGPBOJSCB-LBPRGKRZSA-N 0 0 308.407 0.766 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000094178791 193347358 /nfs/dbraw/zinc/34/73/58/193347358.db2.gz KINIUHVKZOTUCE-CWSCBRNRSA-N 0 0 312.391 0.936 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)c1cnn(C)c1 ZINC000249750438 284190571 /nfs/dbraw/zinc/19/05/71/284190571.db2.gz QITAVUQRPXHVNT-RTXFEEFZSA-N 0 0 319.361 0.936 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)Nc1cc(C)nn1C ZINC000248873265 284205819 /nfs/dbraw/zinc/20/58/19/284205819.db2.gz VMUMGVZFZYLHKD-JMSVASOKSA-N 0 0 320.393 0.941 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)N1CCN(C)CC1 ZINC000248866245 284216807 /nfs/dbraw/zinc/21/68/07/284216807.db2.gz TVHWVEXTFCWOPR-YDHLFZDLSA-N 0 0 309.410 0.034 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000264773290 204145103 /nfs/dbraw/zinc/14/51/03/204145103.db2.gz OMCHEEUCURIRMZ-VXGBXAGGSA-N 0 0 305.382 0.482 10 0 DCAERN COc1ccc(O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011716863 181700846 /nfs/dbraw/zinc/70/08/46/181700846.db2.gz ATCFFOLFXAHBNW-GHMZBOCLSA-N 0 0 313.375 0.766 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000127529701 296172745 /nfs/dbraw/zinc/17/27/45/296172745.db2.gz LSIDRSBYQJIVPO-DGCLKSJQSA-N 0 0 306.362 0.884 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)ccc21 ZINC000282468550 217017462 /nfs/dbraw/zinc/01/74/62/217017462.db2.gz UMQDWJWOVBKVOB-NSHDSACASA-N 0 0 315.373 0.898 10 0 DCAERN Cc1cn2nc(N3CC[C@H](NS(C)(=O)=O)C3)sc2n1 ZINC000265228150 204469521 /nfs/dbraw/zinc/46/95/21/204469521.db2.gz BCMSXIIJXPCFNS-QMMMGPOBSA-N 0 0 301.397 0.227 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000265312129 204525076 /nfs/dbraw/zinc/52/50/76/204525076.db2.gz FNAZZAUNWWNVFZ-QWHCGFSZSA-N 0 0 324.402 0.388 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000193478788 284309024 /nfs/dbraw/zinc/30/90/24/284309024.db2.gz SUNLTGCYCDGEBQ-OCCSQVGLSA-N 0 0 315.304 0.934 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1N1CCOCC1 ZINC000266109346 205103152 /nfs/dbraw/zinc/10/31/52/205103152.db2.gz AHLAOUGZDANORZ-GXTWGEPZSA-N 0 0 315.377 0.522 10 0 DCAERN CCN(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000072712882 284356637 /nfs/dbraw/zinc/35/66/37/284356637.db2.gz NNLFPKLNBKIFJU-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NCC1(CO)COC1 ZINC000572200497 291554680 /nfs/dbraw/zinc/55/46/80/291554680.db2.gz IUXPEQDACRSJMQ-LBPRGKRZSA-N 0 0 322.361 0.525 10 0 DCAERN [NH3+]CCS[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000016900423 182063102 /nfs/dbraw/zinc/06/31/02/182063102.db2.gz YGRVYPXFDGWBLQ-JTQLQIEISA-N 0 0 310.331 0.414 10 0 DCAERN CCc1nn2c(nc(CSc3nc(N)n[nH]3)cc2=O)s1 ZINC000020982615 182257262 /nfs/dbraw/zinc/25/72/62/182257262.db2.gz WKSPSSLADRNYGB-UHFFFAOYSA-N 0 0 309.380 0.706 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000022557137 182326093 /nfs/dbraw/zinc/32/60/93/182326093.db2.gz WMCYNSFLHYDCMI-SECBINFHSA-N 0 0 313.427 0.669 10 0 DCAERN C[C@@H](NC(=O)CCn1cncn1)c1ccc(S(C)(=O)=O)cc1 ZINC000023749852 182368538 /nfs/dbraw/zinc/36/85/38/182368538.db2.gz CTPBHQTVHHCAGF-LLVKDONJSA-N 0 0 322.390 0.949 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000024538865 182383419 /nfs/dbraw/zinc/38/34/19/182383419.db2.gz JVGKTQUMQMBQLK-ZDUSSCGKSA-N 0 0 320.393 0.997 10 0 DCAERN CC(C)CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000024596992 182384521 /nfs/dbraw/zinc/38/45/21/182384521.db2.gz CXTKBMSXDYIFGE-UHFFFAOYSA-N 0 0 303.370 0.508 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000364453435 291624791 /nfs/dbraw/zinc/62/47/91/291624791.db2.gz KWKSOWZMANNQHR-MQYQWHSLSA-N 0 0 308.378 0.797 10 0 DCAERN Cc1c(N)cc(S(=O)(=O)NCC(=O)N(C)C)cc1Cl ZINC000037225197 182872998 /nfs/dbraw/zinc/87/29/98/182872998.db2.gz CIRLKPSYRHDOPC-UHFFFAOYSA-N 0 0 305.787 0.597 10 0 DCAERN COCCNC(=O)CNC(=O)c1ncsc1Br ZINC000573551243 291638967 /nfs/dbraw/zinc/63/89/67/291638967.db2.gz AYYJIYKEWXWVED-UHFFFAOYSA-N 0 0 322.184 0.398 10 0 DCAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCc1cn[nH]c1 ZINC000038006836 182960119 /nfs/dbraw/zinc/96/01/19/182960119.db2.gz BDVDPATWSLKOMJ-SNVBAGLBSA-N 0 0 320.440 0.087 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000189297583 296260288 /nfs/dbraw/zinc/26/02/88/296260288.db2.gz KDKNWGGPRLNTJT-LLVKDONJSA-N 0 0 308.382 0.061 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCOCC1CCC1 ZINC000574250794 291682993 /nfs/dbraw/zinc/68/29/93/291682993.db2.gz BRNDELCBIJDTHM-QGZVFWFLSA-N 0 0 322.405 0.841 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC(N)=S)c1ccc(Cl)s1 ZINC000042593258 183289506 /nfs/dbraw/zinc/28/95/06/183289506.db2.gz FGUDYEVESVEECA-RXMQYKEDSA-N 0 0 305.812 0.981 10 0 DCAERN CNc1ccc(S(=O)(=O)NCCCS(C)(=O)=O)cc1 ZINC000044567427 183423286 /nfs/dbraw/zinc/42/32/86/183423286.db2.gz MZOUPAOFWKXRDT-UHFFFAOYSA-N 0 0 306.409 0.441 10 0 DCAERN O=C(c1ccc2nccnc2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000333452071 284694405 /nfs/dbraw/zinc/69/44/05/284694405.db2.gz NTHNXDYJEMOIQM-GFCCVEGCSA-N 0 0 313.361 0.572 10 0 DCAERN COCCOCCC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105815268 194135114 /nfs/dbraw/zinc/13/51/14/194135114.db2.gz HOHFECYDRLJFDR-UHFFFAOYSA-N 0 0 308.382 0.933 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)[C@@H]3CCCOC3)CC2)n1 ZINC000105820143 194135784 /nfs/dbraw/zinc/13/57/84/194135784.db2.gz CRERSFBJVMPUFB-CYBMUJFWSA-N 0 0 320.393 0.951 10 0 DCAERN CCOc1ccnc(N2CCN(CCCNC(C)=O)CC2)n1 ZINC000105868635 194150936 /nfs/dbraw/zinc/15/09/36/194150936.db2.gz LDIFAJUATDFPNC-UHFFFAOYSA-N 0 0 307.398 0.524 10 0 DCAERN Cc1cnn([C@@H]2CCCN(Cc3nc(N)nc(N(C)C)n3)C2)c1 ZINC000106222800 194191511 /nfs/dbraw/zinc/19/15/11/194191511.db2.gz SGLJUIYVHVIWAY-GFCCVEGCSA-N 0 0 316.413 0.862 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000106571887 194232689 /nfs/dbraw/zinc/23/26/89/194232689.db2.gz SUBWYUXNKBUMQN-CHWSQXEVSA-N 0 0 302.378 0.795 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408012899 296317619 /nfs/dbraw/zinc/31/76/19/296317619.db2.gz PJEOMWVVTVEZKT-WOPDTQHZSA-N 0 0 303.428 0.691 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333106327 299525933 /nfs/dbraw/zinc/52/59/33/299525933.db2.gz DEFGBYJBXRTGEU-ZUWCUPBKSA-N 0 0 303.424 0.977 10 0 DCAERN O=c1cc(C(F)(F)F)nc(NCCCN2CCOCC2)[nH]1 ZINC000057342924 184034329 /nfs/dbraw/zinc/03/43/29/184034329.db2.gz PVDJXCBGCINEHZ-UHFFFAOYSA-N 0 0 306.288 0.923 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)[C@H]1C ZINC000112895057 194533004 /nfs/dbraw/zinc/53/30/04/194533004.db2.gz SBBSFWIYSPHQRR-GHMZBOCLSA-N 0 0 304.350 0.544 10 0 DCAERN O=C1CN(S(=O)(=O)c2ccc3c(c2)OCO3)CCN1C1CC1 ZINC000074812614 252585560 /nfs/dbraw/zinc/58/55/60/252585560.db2.gz WXQXVBWBTUQDRB-UHFFFAOYSA-N 0 0 324.358 0.411 10 0 DCAERN Cc1cc(C)n(-c2ccc(CS(=O)(=O)C[C@@H](O)CO)cc2)n1 ZINC000177673909 252605780 /nfs/dbraw/zinc/60/57/80/252605780.db2.gz PTGDBOAFJASXLZ-HNNXBMFYSA-N 0 0 324.402 0.757 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000339717575 253132680 /nfs/dbraw/zinc/13/26/80/253132680.db2.gz YJNKBFDPSPWIQE-PWSUYJOCSA-N 0 0 304.412 0.661 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@]3(C)CCCO3)C[C@@H]2C(N)=O)cn1 ZINC000286294654 218899802 /nfs/dbraw/zinc/89/98/02/218899802.db2.gz HSJXAZUVHYDZGH-XUJVJEKNSA-N 0 0 306.366 0.017 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000120208995 195119778 /nfs/dbraw/zinc/11/97/78/195119778.db2.gz IRNLCKNYQDUZSY-STQMWFEESA-N 0 0 304.456 0.904 10 0 DCAERN CC(=O)c1cc(NC(=O)CS(=O)(=O)N(C)C)ccc1F ZINC000341101257 253344312 /nfs/dbraw/zinc/34/43/12/253344312.db2.gz BLHMJVLZGSOOJQ-UHFFFAOYSA-N 0 0 302.327 0.858 10 0 DCAERN CCN(Cc1nsc(N(C)C)n1)[C@@H](C)CS(C)(=O)=O ZINC000151271466 285131622 /nfs/dbraw/zinc/13/16/22/285131622.db2.gz RRBDIGZNPVJOME-VIFPVBQESA-N 0 0 306.457 0.859 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cn3ncc4ccccc43)CC[C@@H]21 ZINC000286501520 219022105 /nfs/dbraw/zinc/02/21/05/219022105.db2.gz WSPOARATDJIDAI-OCCSQVGLSA-N 0 0 313.361 0.661 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CN(C)S(C)(=O)=O ZINC000344911228 253850146 /nfs/dbraw/zinc/85/01/46/253850146.db2.gz KJSCMFDAGQRZHV-UHFFFAOYSA-N 0 0 313.379 0.499 10 0 DCAERN CCOC(=O)c1cc(C(=O)N[C@@H](C)CC[S@](C)=O)on1 ZINC000346161150 254016989 /nfs/dbraw/zinc/01/69/89/254016989.db2.gz WZDPGAVETZTKIJ-FHZGZLOMSA-N 0 0 302.352 0.738 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)CC2(C)C)C1 ZINC000189189071 296395825 /nfs/dbraw/zinc/39/58/25/296395825.db2.gz OYSMNDFAOIHKDY-ADLMAVQZSA-N 0 0 308.469 0.806 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000348864807 254262355 /nfs/dbraw/zinc/26/23/55/254262355.db2.gz FYBKSBAXLYHRFU-CYBMUJFWSA-N 0 0 313.361 0.783 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)S(N)(=O)=O)c1C ZINC000350630132 254321718 /nfs/dbraw/zinc/32/17/18/254321718.db2.gz WRHWHSSCUZAIFD-LURJTMIESA-N 0 0 301.368 0.241 10 0 DCAERN COc1cncnc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000297345304 533155256 /nfs/dbraw/zinc/15/52/56/533155256.db2.gz FKPPWHNIHDQDPU-VXGBXAGGSA-N 0 0 321.381 0.670 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)c3ccncn3)CC[C@@H]2S1(=O)=O ZINC000249696123 257107577 /nfs/dbraw/zinc/10/75/77/257107577.db2.gz RXFMDJWYSVCTKO-AAEUAGOBSA-N 0 0 324.406 0.363 10 0 DCAERN Cc1cccc(C(=O)N2CC[C@H](O)[C@H]2Cc2cnn(C)c2)n1 ZINC000248106047 257109558 /nfs/dbraw/zinc/10/95/58/257109558.db2.gz FWZHNCZPXXDFDK-CABCVRRESA-N 0 0 300.362 0.942 10 0 DCAERN COc1cc(N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)ncn1 ZINC000248008012 257111723 /nfs/dbraw/zinc/11/17/23/257111723.db2.gz HYQXYSJHSZPGNI-HZMBPMFUSA-N 0 0 303.322 0.581 10 0 DCAERN COCCNC(=O)[C@@H]1CO[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 ZINC000247906495 257113657 /nfs/dbraw/zinc/11/36/57/257113657.db2.gz XCUHUXHFFIGRMT-MELADBBJSA-N 0 0 320.393 0.471 10 0 DCAERN CC(=O)N1CC2(C1)OCC[C@H]2CCNS(=O)(=O)C1CC1 ZINC000247944027 257114078 /nfs/dbraw/zinc/11/40/78/257114078.db2.gz ODKFUFUXJVKSEL-LLVKDONJSA-N 0 0 302.396 0.096 10 0 DCAERN O=C(c1ccnnc1)N1CC[C@@H]2[C@@H]1CCN2c1nncs1 ZINC000247877890 257114999 /nfs/dbraw/zinc/11/49/99/257114999.db2.gz UQINSKVPVARWKY-WDEREUQCSA-N 0 0 302.363 0.822 10 0 DCAERN O=C(NC[C@@]12COC[C@@H]1CN(c1ncccn1)C2)c1ccco1 ZINC000247480438 257118739 /nfs/dbraw/zinc/11/87/39/257118739.db2.gz ISLQFHGXLVZVRF-BLLLJJGKSA-N 0 0 314.345 0.952 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2OCC[C@@H]21 ZINC000247521783 257119136 /nfs/dbraw/zinc/11/91/36/257119136.db2.gz XUIRGUGDFUPHIM-MCIONIFRSA-N 0 0 320.368 0.983 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2ncncc2Br)C1 ZINC000284673421 285378373 /nfs/dbraw/zinc/37/83/73/285378373.db2.gz WSFFLVSEPHBESQ-SNVBAGLBSA-N 0 0 311.143 0.455 10 0 DCAERN CO[C@@H](C)c1noc(CN2CCN(c3cccnn3)CC2)n1 ZINC000175153246 533363482 /nfs/dbraw/zinc/36/34/82/533363482.db2.gz SKLUETBRYLZEFD-NSHDSACASA-N 0 0 304.354 0.889 10 0 DCAERN C[C@@H](NCc1nnn(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400727705 533474955 /nfs/dbraw/zinc/47/49/55/533474955.db2.gz PWHZYQDPOQTJSV-GHMZBOCLSA-N 0 0 310.402 0.945 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1cncc(Cl)c1 ZINC000295244520 533492673 /nfs/dbraw/zinc/49/26/73/533492673.db2.gz MBYXVUQNMGHBCU-UHFFFAOYSA-N 0 0 300.698 0.523 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCC2)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181411565 296469456 /nfs/dbraw/zinc/46/94/56/296469456.db2.gz CNNADULIOHHPBI-QWHCGFSZSA-N 0 0 316.400 0.107 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)c1=O ZINC000275727083 130370654 /nfs/dbraw/zinc/37/06/54/130370654.db2.gz OSGLJNKURNSJCR-OLZOCXBDSA-N 0 0 320.393 0.434 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000277316006 130601907 /nfs/dbraw/zinc/60/19/07/130601907.db2.gz BUSWCNQCUGHAFC-YESZJQIVSA-N 0 0 316.401 0.984 10 0 DCAERN C[C@H]1CN(c2cc(N3CCCC[C@H]3CO)ncn2)CC(=O)N1C ZINC000283577594 131004783 /nfs/dbraw/zinc/00/47/83/131004783.db2.gz QWMUSUUARZCOEA-STQMWFEESA-N 0 0 319.409 0.495 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)ncn2)CC(=O)N1C ZINC000283577589 131005069 /nfs/dbraw/zinc/00/50/69/131005069.db2.gz QWMUSUUARZCOEA-OLZOCXBDSA-N 0 0 319.409 0.495 10 0 DCAERN Cc1cc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000283803871 131025173 /nfs/dbraw/zinc/02/51/73/131025173.db2.gz BJCLGVJHXWYRGP-KBPBESRZSA-N 0 0 307.398 0.343 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157442 131053965 /nfs/dbraw/zinc/05/39/65/131053965.db2.gz QSOAKLQPAWLYCO-ZIAGYGMSSA-N 0 0 300.362 0.879 10 0 DCAERN C[C@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000284238987 131061980 /nfs/dbraw/zinc/06/19/80/131061980.db2.gz FMSAPTRRLNUHPN-ZFWWWQNUSA-N 0 0 322.409 0.116 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1C(N)=O ZINC000284406168 131078531 /nfs/dbraw/zinc/07/85/31/131078531.db2.gz CPRAUGYYWVXRDK-RNFRBKRXSA-N 0 0 322.308 0.846 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2c[nH]cn2)CC(C)(C)O1 ZINC000284446218 131081249 /nfs/dbraw/zinc/08/12/49/131081249.db2.gz CCDKSGOOEIUIQD-CYBMUJFWSA-N 0 0 310.398 0.494 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284581909 131094160 /nfs/dbraw/zinc/09/41/60/131094160.db2.gz GLJFKSMSOOVGBQ-WCQYABFASA-N 0 0 321.377 0.877 10 0 DCAERN CN(C)C(=O)c1cnc(N2C[C@H](F)C[C@H]2C(N)=O)c(Cl)c1 ZINC000284691009 131105037 /nfs/dbraw/zinc/10/50/37/131105037.db2.gz YYIJAIRBAFGUSS-SCZZXKLOSA-N 0 0 314.748 0.839 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000284881231 131118209 /nfs/dbraw/zinc/11/82/09/131118209.db2.gz GMGXKTHFVCWALX-SCZZXKLOSA-N 0 0 304.318 0.721 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H]1C(N)=O ZINC000284872265 131118325 /nfs/dbraw/zinc/11/83/25/131118325.db2.gz YUJJBYXUBGCWCN-PSASIEDQSA-N 0 0 312.347 0.157 10 0 DCAERN O=C(c1ccn(-c2ccccc2)n1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284925707 131123580 /nfs/dbraw/zinc/12/35/80/131123580.db2.gz VVHAWFUIRCYSFY-INIZCTEOSA-N 0 0 324.344 0.724 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1 ZINC000285532319 131177754 /nfs/dbraw/zinc/17/77/54/131177754.db2.gz NSJHOXYEWBBBEI-QGZVFWFLSA-N 0 0 318.373 0.723 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000291742066 131596356 /nfs/dbraw/zinc/59/63/56/131596356.db2.gz LUFYYZVHEAWKDG-ZJUUUORDSA-N 0 0 306.366 0.872 10 0 DCAERN O=C(NCCCc1nc(=O)[nH][nH]1)[C@@H]1CCCN1c1nccs1 ZINC000164350777 132150871 /nfs/dbraw/zinc/15/08/71/132150871.db2.gz ZNQXILBNRUWKKQ-VIFPVBQESA-N 0 0 322.394 0.272 10 0 DCAERN CCc1oc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1C ZINC000121744812 132158839 /nfs/dbraw/zinc/15/88/39/132158839.db2.gz NVKMIQNYKXKDMT-JTQLQIEISA-N 0 0 308.334 0.654 10 0 DCAERN CCOCCOCC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000113116913 132181954 /nfs/dbraw/zinc/18/19/54/132181954.db2.gz IKYFLQLWHORECM-UHFFFAOYSA-N 0 0 300.399 0.804 10 0 DCAERN CCNS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183677483 285603452 /nfs/dbraw/zinc/60/34/52/285603452.db2.gz ABWSPMILACUFRU-GFCCVEGCSA-N 0 0 315.370 0.461 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)c2coc(Br)c2)O1 ZINC000152575499 545826107 /nfs/dbraw/zinc/82/61/07/545826107.db2.gz FDDNGKBMOUEARK-SFYZADRCSA-N 0 0 317.139 0.805 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000025332980 395693416 /nfs/dbraw/zinc/69/34/16/395693416.db2.gz VDFBWKWVURANJW-SNVBAGLBSA-N 0 0 315.329 0.813 10 0 DCAERN COc1cc(=O)n(C)c2c(OC[C@H](O)[C@@](C)(O)OC)cccc12 ZINC000002564855 395681720 /nfs/dbraw/zinc/68/17/20/395681720.db2.gz COMTYGQAMQKQCJ-BBRMVZONSA-N 0 0 323.345 0.642 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000003070435 395682318 /nfs/dbraw/zinc/68/23/18/395682318.db2.gz XNVNRGQNXUJWAS-BDAKNGLRSA-N 0 0 304.302 0.349 10 0 DCAERN CCNC(=O)CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000008094795 395683954 /nfs/dbraw/zinc/68/39/54/395683954.db2.gz ZHVBKPIZDXVRQL-UHFFFAOYSA-N 0 0 323.418 0.853 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1O ZINC000089217069 395708880 /nfs/dbraw/zinc/70/88/80/395708880.db2.gz XPMVLGRIUVLOPE-OPRDCNLKSA-N 0 0 323.315 0.562 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1O ZINC000089412505 395711456 /nfs/dbraw/zinc/71/14/56/395711456.db2.gz ZULHDDHHLNVKRB-ZANVPECISA-N 0 0 302.330 0.755 10 0 DCAERN COC(=O)CCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000032990327 395715476 /nfs/dbraw/zinc/71/54/76/395715476.db2.gz NZPJIFQRLVSWIO-LBPRGKRZSA-N 0 0 303.322 0.136 10 0 DCAERN Cc1ccc(C(C)C)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000034256158 395718293 /nfs/dbraw/zinc/71/82/93/395718293.db2.gz GKQGIQVSMCHAFX-CQJMVSDSSA-N 0 0 312.362 0.297 10 0 DCAERN C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccnc1 ZINC000028878341 395696389 /nfs/dbraw/zinc/69/63/89/395696389.db2.gz KBVOKWHTAQSPBW-LLVKDONJSA-N 0 0 324.340 0.962 10 0 DCAERN O=C(C1=NNC(=O)CC1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000037841392 395729580 /nfs/dbraw/zinc/72/95/80/395729580.db2.gz UNKVNVZZTWHDJD-QWRGUYRKSA-N 0 0 311.407 0.766 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCO[C@H]1C ZINC000092349605 395730386 /nfs/dbraw/zinc/73/03/86/395730386.db2.gz XJHKCPZCYCYGJJ-GXFFZTMASA-N 0 0 324.402 0.909 10 0 DCAERN C[C@@H](NC(=O)c1ccnn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000040378487 395733304 /nfs/dbraw/zinc/73/33/04/395733304.db2.gz XBIXTBDMNMLWNS-SECBINFHSA-N 0 0 308.363 0.559 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC[C@H](C)[C@@H](O)C2)c(F)c1 ZINC000092977686 395735036 /nfs/dbraw/zinc/73/50/36/395735036.db2.gz LXOKDRUAQUBMMK-ZANVPECISA-N 0 0 302.371 0.941 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041600501 395737994 /nfs/dbraw/zinc/73/79/94/395737994.db2.gz MNMZULJNYHSZJZ-CYBMUJFWSA-N 0 0 305.378 0.770 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000042008825 395741440 /nfs/dbraw/zinc/74/14/40/395741440.db2.gz SQFGOYBAROMNSX-WDEREUQCSA-N 0 0 307.350 0.477 10 0 DCAERN CSCC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000042037673 395741749 /nfs/dbraw/zinc/74/17/49/395741749.db2.gz DFLCZEDUVCGMAS-UHFFFAOYSA-N 0 0 312.395 0.429 10 0 DCAERN C[C@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)CCC1=O ZINC000193939508 395782736 /nfs/dbraw/zinc/78/27/36/395782736.db2.gz HRDOKUYVBXQXEJ-NSHDSACASA-N 0 0 304.346 0.992 10 0 DCAERN CCOCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000047057325 395786652 /nfs/dbraw/zinc/78/66/52/395786652.db2.gz RFJUFVHDFRVLAV-UHFFFAOYSA-N 0 0 300.380 0.767 10 0 DCAERN Cn1nccc1CNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000045958770 395769003 /nfs/dbraw/zinc/76/90/03/395769003.db2.gz KZYHQWDHVZECKU-UHFFFAOYSA-N 0 0 319.390 0.862 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)nnn2C ZINC000104220224 395777859 /nfs/dbraw/zinc/77/78/59/395777859.db2.gz LRTZYMCIFCALJT-CYBMUJFWSA-N 0 0 301.350 0.661 10 0 DCAERN CCOc1ccccc1OCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194632532 395802886 /nfs/dbraw/zinc/80/28/86/395802886.db2.gz GBSHYVHPANRLSE-ZDUSSCGKSA-N 0 0 308.378 0.911 10 0 DCAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000048112194 395808399 /nfs/dbraw/zinc/80/83/99/395808399.db2.gz FNZNDSFCTKODFY-MFKMUULPSA-N 0 0 301.346 0.853 10 0 DCAERN C[C@H](CNC(=O)CN1CC(=O)NC1=O)N1CCc2ccccc21 ZINC000111562779 395809910 /nfs/dbraw/zinc/80/99/10/395809910.db2.gz XKJVZBUBSNTVQR-LLVKDONJSA-N 0 0 316.361 0.106 10 0 DCAERN O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCNC(=O)CC1 ZINC000194959560 395812833 /nfs/dbraw/zinc/81/28/33/395812833.db2.gz XJVUZFYEGAZQEV-ZDUSSCGKSA-N 0 0 322.409 0.263 10 0 DCAERN Cc1ccc(N2CCC(C(=O)N3CCNC(=O)CC3)CC2)nc1 ZINC000194957375 395812931 /nfs/dbraw/zinc/81/29/31/395812931.db2.gz MDZIUFNGTHDBPK-UHFFFAOYSA-N 0 0 316.405 0.955 10 0 DCAERN CCc1nnc(CN2CCN(C(=O)c3ccccn3)CC2)n1C ZINC000195063053 395815233 /nfs/dbraw/zinc/81/52/33/395815233.db2.gz MOJOLJHEFTUTIG-UHFFFAOYSA-N 0 0 314.393 0.731 10 0 DCAERN CC1=C(C(=O)NCc2ccnn2C)[C@@H](C)n2ncnc2N1C ZINC000195100011 395816177 /nfs/dbraw/zinc/81/61/77/395816177.db2.gz JBIRFZJJCRYRBB-SNVBAGLBSA-N 0 0 301.354 0.613 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)Nc2nncs2)CC1 ZINC000112345805 395816297 /nfs/dbraw/zinc/81/62/97/395816297.db2.gz ALJZOPOFXSROPU-UHFFFAOYSA-N 0 0 321.410 0.968 10 0 DCAERN Cn1cc(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)cn1 ZINC000195172002 395819312 /nfs/dbraw/zinc/81/93/12/395819312.db2.gz GGCBYCUFFBHRMI-UHFFFAOYSA-N 0 0 313.361 0.783 10 0 DCAERN CC1(CNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)COC1 ZINC000112618479 395819605 /nfs/dbraw/zinc/81/96/05/395819605.db2.gz UYSYILZGDHUYSV-UHFFFAOYSA-N 0 0 323.374 0.504 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc(-n2ccnc2)nc1 ZINC000112647158 395820244 /nfs/dbraw/zinc/82/02/44/395820244.db2.gz HFIXQZXAAMBUSQ-GFCCVEGCSA-N 0 0 309.333 0.604 10 0 DCAERN CN(CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)c1cccs1 ZINC000112653275 395820823 /nfs/dbraw/zinc/82/08/23/395820823.db2.gz RCLOZESTSICHFW-JTQLQIEISA-N 0 0 319.390 0.543 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000112739923 395823100 /nfs/dbraw/zinc/82/31/00/395823100.db2.gz KTNWNGBDHBEWON-CYBMUJFWSA-N 0 0 317.397 0.796 10 0 DCAERN COc1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1O ZINC000112744458 395824169 /nfs/dbraw/zinc/82/41/69/395824169.db2.gz UCQYRNYLFNONKC-LLVKDONJSA-N 0 0 317.349 0.807 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000112906428 395825375 /nfs/dbraw/zinc/82/53/75/395825375.db2.gz GFMKFTYLPFFGIC-DGCLKSJQSA-N 0 0 318.377 0.934 10 0 DCAERN COc1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118132896 395861436 /nfs/dbraw/zinc/86/14/36/395861436.db2.gz UTIDVVZYPUVWAX-UHFFFAOYSA-N 0 0 302.334 0.955 10 0 DCAERN Cc1c([C@H](C)NC(=O)NC[C@H](C)N2CCOCC2)cnn1C ZINC000049130619 395828343 /nfs/dbraw/zinc/82/83/43/395828343.db2.gz IKLNYHSTVBBWJI-RYUDHWBXSA-N 0 0 309.414 0.809 10 0 DCAERN O=C(CN1CCCC[C@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203074 395832988 /nfs/dbraw/zinc/83/29/88/395832988.db2.gz XEQIPDLIPJRTLA-AWEZNQCLSA-N 0 0 319.409 0.675 10 0 DCAERN O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ccc3nnnn3n2)C1 ZINC000225513734 395861460 /nfs/dbraw/zinc/86/14/60/395861460.db2.gz JBCNVBOMLKTLKB-NWDGAFQWSA-N 0 0 300.297 0.971 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844637 395841676 /nfs/dbraw/zinc/84/16/76/395841676.db2.gz QKYGVSLQQPFCBJ-LLVKDONJSA-N 0 0 322.384 0.917 10 0 DCAERN CC(=O)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000050990238 395843551 /nfs/dbraw/zinc/84/35/51/395843551.db2.gz KCSMBLFISKCCPG-JKSUJKDBSA-N 0 0 323.437 0.757 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCCCNC3=O)C2)cn1 ZINC000116425589 395843731 /nfs/dbraw/zinc/84/37/31/395843731.db2.gz PTYSOGMZRNFGKE-YPMHNXCESA-N 0 0 305.382 0.588 10 0 DCAERN CC(=O)NC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000050990240 395843851 /nfs/dbraw/zinc/84/38/51/395843851.db2.gz KCSMBLFISKCCPG-HZPDHXFCSA-N 0 0 323.437 0.757 10 0 DCAERN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000116465455 395844068 /nfs/dbraw/zinc/84/40/68/395844068.db2.gz OOCFNYQRKSKTRO-GXTWGEPZSA-N 0 0 306.362 0.760 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)c2cnn(C)c2)C[C@H]1CC ZINC000116769919 395845681 /nfs/dbraw/zinc/84/56/81/395845681.db2.gz HSWUGWZPGVMZMK-CQSZACIVSA-N 0 0 322.409 0.562 10 0 DCAERN Cn1cc(Cl)cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116831379 395846968 /nfs/dbraw/zinc/84/69/68/395846968.db2.gz BVCNMDYASNKUFW-VIFPVBQESA-N 0 0 305.787 0.442 10 0 DCAERN CCOc1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116832534 395847148 /nfs/dbraw/zinc/84/71/48/395847148.db2.gz USIRCFSMPQUDBL-GFCCVEGCSA-N 0 0 312.391 0.849 10 0 DCAERN COc1ccc(OCCN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116891884 395848755 /nfs/dbraw/zinc/84/87/55/395848755.db2.gz YBRMAIPVZBDELW-LBPRGKRZSA-N 0 0 314.407 0.698 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cc(Cl)nc(NC)n2)CCO1 ZINC000220663208 395849488 /nfs/dbraw/zinc/84/94/88/395849488.db2.gz UMHGURNRAHCCON-QMMMGPOBSA-N 0 0 300.746 0.940 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000116982074 395850700 /nfs/dbraw/zinc/85/07/00/395850700.db2.gz LGCSTEXPERCDEG-SNVBAGLBSA-N 0 0 308.363 0.327 10 0 DCAERN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CNC(N)=O ZINC000051483629 395851395 /nfs/dbraw/zinc/85/13/95/395851395.db2.gz UMJCWPCHQFJXGQ-UHFFFAOYSA-N 0 0 306.366 0.988 10 0 DCAERN COCCN1CCN(C(=O)c2c(C)nn(C)c2OC)C[C@@H]1C ZINC000117292226 395852196 /nfs/dbraw/zinc/85/21/96/395852196.db2.gz QRKAOWMCXLJUDF-NSHDSACASA-N 0 0 310.398 0.530 10 0 DCAERN Cc1cnn(CCNC(=O)c2c(C)oc3ncn(C)c(=O)c32)c1 ZINC000117818963 395855283 /nfs/dbraw/zinc/85/52/83/395855283.db2.gz IIFIVKNTZVBKCY-UHFFFAOYSA-N 0 0 315.333 0.770 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000194277411 395792457 /nfs/dbraw/zinc/79/24/57/395792457.db2.gz QOVFVMQGTDFLII-VWYCJHECSA-N 0 0 308.407 0.753 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000270644459 395793112 /nfs/dbraw/zinc/79/31/12/395793112.db2.gz KOPGXJRDDPCHNF-OLZOCXBDSA-N 0 0 318.377 0.726 10 0 DCAERN COCCN(Cc1nc(C)c(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000108853328 395794485 /nfs/dbraw/zinc/79/44/85/395794485.db2.gz RQGZBJBLBJYWIZ-LBPRGKRZSA-N 0 0 302.396 0.927 10 0 DCAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000270666115 395795441 /nfs/dbraw/zinc/79/54/41/395795441.db2.gz VDMSTELMANIIPO-PSASIEDQSA-N 0 0 312.347 0.587 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCCSCC2)cn1 ZINC000270722532 395800983 /nfs/dbraw/zinc/80/09/83/395800983.db2.gz NOAYTLCWQOVVPW-UHFFFAOYSA-N 0 0 301.393 0.308 10 0 DCAERN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CC(CO)C1)C2=O ZINC000122543382 395887447 /nfs/dbraw/zinc/88/74/47/395887447.db2.gz JNCRWTTXEPZONH-JTQLQIEISA-N 0 0 302.330 0.430 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245418224 395928991 /nfs/dbraw/zinc/92/89/91/395928991.db2.gz AMILQAXINLSALW-GUTXKFCHSA-N 0 0 324.421 0.945 10 0 DCAERN O=c1ccc(-c2nnc(I)s2)n[nH]1 ZINC000236157407 395893672 /nfs/dbraw/zinc/89/36/72/395893672.db2.gz QPFZNNRBUOQTTN-UHFFFAOYSA-N 0 0 306.088 0.893 10 0 DCAERN CCC(CC)[C@H](CNC(=O)[C@H]1COCCN1)N1CCOCC1 ZINC000236692298 395896232 /nfs/dbraw/zinc/89/62/32/395896232.db2.gz QDTNGXYUAKIFAJ-CABCVRRESA-N 0 0 313.442 0.228 10 0 DCAERN CC1CCN(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000123816437 395897848 /nfs/dbraw/zinc/89/78/48/395897848.db2.gz FYIGNNQYEVXWQY-ZDUSSCGKSA-N 0 0 317.455 0.547 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000245462423 395929704 /nfs/dbraw/zinc/92/97/04/395929704.db2.gz NTJSTIVEEBLSQR-VIFPVBQESA-N 0 0 318.424 0.743 10 0 DCAERN CSCCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000126310791 395911900 /nfs/dbraw/zinc/91/19/00/395911900.db2.gz CWJIBSUEQAPEJA-UHFFFAOYSA-N 0 0 321.402 0.949 10 0 DCAERN CN1C[C@@H](NC(=O)NCCC(=O)Nc2ccccc2)CCC1=O ZINC000128679631 395918013 /nfs/dbraw/zinc/91/80/13/395918013.db2.gz GHERCRFSIKXNFI-ZDUSSCGKSA-N 0 0 318.377 0.935 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCn2cccn2)[C@@H]1c1cccnc1 ZINC000129171776 395919594 /nfs/dbraw/zinc/91/95/94/395919594.db2.gz FRVAKHZXZZQBIW-HIFRSBDPSA-N 0 0 313.361 0.614 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245529486 395931487 /nfs/dbraw/zinc/93/14/87/395931487.db2.gz RNECGQOQILWPHK-NEPJUHHUSA-N 0 0 302.400 0.355 10 0 DCAERN COCCCn1c(=O)[nH]nc1SCc1nnc(C2CC2)n1C ZINC000130547280 395923603 /nfs/dbraw/zinc/92/36/03/395923603.db2.gz KDEPSJKQOMALDE-UHFFFAOYSA-N 0 0 324.410 0.906 10 0 DCAERN CC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1nccs1 ZINC000131097173 395924064 /nfs/dbraw/zinc/92/40/64/395924064.db2.gz DDDDYCDBXYUJDM-SECBINFHSA-N 0 0 322.394 0.704 10 0 DCAERN Cn1cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)ccc1=O ZINC000131560886 395925002 /nfs/dbraw/zinc/92/50/02/395925002.db2.gz DDOZZOIIFGOVOW-CYBMUJFWSA-N 0 0 314.345 0.603 10 0 DCAERN CS(=O)(=O)NCCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515515 395861583 /nfs/dbraw/zinc/86/15/83/395861583.db2.gz MNBUYJAAKXPWJJ-STQMWFEESA-N 0 0 302.371 0.483 10 0 DCAERN COCC[C@@](C)(O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000228063530 395870611 /nfs/dbraw/zinc/87/06/11/395870611.db2.gz JMYDBMVKFVDIGR-SNVBAGLBSA-N 0 0 311.791 0.139 10 0 DCAERN C[C@H](CCNS(=O)(=O)c1ccc(N)cc1F)[S@@](C)=O ZINC000229778541 395876400 /nfs/dbraw/zinc/87/64/00/395876400.db2.gz IOIMDTGFUXQXJD-NTCNTBNZSA-N 0 0 308.400 0.843 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000119844522 395877566 /nfs/dbraw/zinc/87/75/66/395877566.db2.gz HROQMDOUTYAKAI-GFCCVEGCSA-N 0 0 312.395 0.060 10 0 DCAERN C[C@@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(-n2ccnn2)cc1 ZINC000119926765 395879103 /nfs/dbraw/zinc/87/91/03/395879103.db2.gz QFJSCEGUGCXQCC-SNVBAGLBSA-N 0 0 314.349 0.645 10 0 DCAERN COc1ccc(C(=O)NCC2(C)COC2)cc1-n1cnnn1 ZINC000120188921 395881581 /nfs/dbraw/zinc/88/15/81/395881581.db2.gz CSPJHYGTHMHULH-UHFFFAOYSA-N 0 0 303.322 0.437 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnc(C2CC2)nc1)[C@H]1CCCO1 ZINC000120367993 395882281 /nfs/dbraw/zinc/88/22/81/395882281.db2.gz OQVDREHJLVUWEG-BXKDBHETSA-N 0 0 304.350 0.976 10 0 DCAERN O=C(c1ccc(Br)c(O)c1)N1CCO[C@@H](CO)C1 ZINC000231354753 395884478 /nfs/dbraw/zinc/88/44/78/395884478.db2.gz HUYIRGYLWXHSGO-SECBINFHSA-N 0 0 316.151 0.988 10 0 DCAERN NS(=O)(=O)CCNC(=O)CSc1ccc2c(c1)CCC2 ZINC000056850917 395934594 /nfs/dbraw/zinc/93/45/94/395934594.db2.gz KTHCQDFFBKIDJS-UHFFFAOYSA-N 0 0 314.432 0.672 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc(-n2cccn2)ccn1 ZINC000134921944 395935436 /nfs/dbraw/zinc/93/54/36/395935436.db2.gz HWJQVBASBVABFY-LLVKDONJSA-N 0 0 309.333 0.604 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000245757990 395936209 /nfs/dbraw/zinc/93/62/09/395936209.db2.gz DZLWHRUAJWYWLX-YNEHKIRRSA-N 0 0 318.377 0.915 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@](O)(C(N)=O)C2)c1 ZINC000276454973 395998888 /nfs/dbraw/zinc/99/88/88/395998888.db2.gz HHJQSYNHLLIRIK-BZNIZROVSA-N 0 0 320.345 0.105 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000246102142 395941608 /nfs/dbraw/zinc/94/16/08/395941608.db2.gz JHPVAQAPUZUAPS-NDMJEZRESA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H](O)c1cccc(F)c1 ZINC000135749786 395942292 /nfs/dbraw/zinc/94/22/92/395942292.db2.gz NFJFYMLGAAUUQE-XDTLVQLUSA-N 0 0 303.355 0.956 10 0 DCAERN CCn1c2ccc(C(=O)NCC[C@@H](C)O)cc2[nH]c(=O)c1=O ZINC000136063382 395944567 /nfs/dbraw/zinc/94/45/67/395944567.db2.gz OWGVDNVPKXHFPP-SECBINFHSA-N 0 0 305.334 0.210 10 0 DCAERN O=C(C1=COCCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136392811 395946776 /nfs/dbraw/zinc/94/67/76/395946776.db2.gz QUNXSRMNQBGSLJ-UHFFFAOYSA-N 0 0 314.349 0.467 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000246346203 395948197 /nfs/dbraw/zinc/94/81/97/395948197.db2.gz FHZIVNIIXFIUCX-OAACRXHESA-N 0 0 304.346 0.700 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246374329 395948200 /nfs/dbraw/zinc/94/82/00/395948200.db2.gz OEXLLHINPWYWIK-AUTRQRHGSA-N 0 0 308.284 0.990 10 0 DCAERN CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccccc1N ZINC000274458305 395950040 /nfs/dbraw/zinc/95/00/40/395950040.db2.gz MACLTSXQBRKDMP-UHFFFAOYSA-N 0 0 306.409 0.324 10 0 DCAERN O=C(Nc1nccs1)[C@@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC000246462002 395950381 /nfs/dbraw/zinc/95/03/81/395950381.db2.gz YZFUCBPAMPCDGB-NEPJUHHUSA-N 0 0 321.406 0.804 10 0 DCAERN CN1C[C@@H](Nc2cc(N3CCC[C@H]3CO)ncn2)CCC1=O ZINC000246655968 395955417 /nfs/dbraw/zinc/95/54/17/395955417.db2.gz JVOWMROIVWBRLH-RYUDHWBXSA-N 0 0 305.382 0.470 10 0 DCAERN CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1=O ZINC000246810651 395957567 /nfs/dbraw/zinc/95/75/67/395957567.db2.gz QLEJBNLXHBKKDY-XQQFMLRXSA-N 0 0 316.357 0.908 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@H](C)OC[C@@H]3C)nc2n1 ZINC000059251461 395959181 /nfs/dbraw/zinc/95/91/81/395959181.db2.gz SSIOBHJAYUIUBC-RYUDHWBXSA-N 0 0 303.366 0.919 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1CC ZINC000246932814 395960783 /nfs/dbraw/zinc/96/07/83/395960783.db2.gz IMCOAQLNMNBOML-QWHCGFSZSA-N 0 0 320.455 0.379 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCCC[C@H]3C)CCO2)[nH]1 ZINC000246925933 395961096 /nfs/dbraw/zinc/96/10/96/395961096.db2.gz JEBYJMCGFOQNSK-YPMHNXCESA-N 0 0 307.398 0.887 10 0 DCAERN C[C@@H]1C(=O)NCCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000060377330 395961356 /nfs/dbraw/zinc/96/13/56/395961356.db2.gz YBDQMJAMKZTKMI-MRVPVSSYSA-N 0 0 318.402 0.794 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175255 395967439 /nfs/dbraw/zinc/96/74/39/395967439.db2.gz RNKGKSKWBPSSOL-ZWNOBZJWSA-N 0 0 320.361 0.622 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@H]2C1 ZINC000247140506 395967767 /nfs/dbraw/zinc/96/77/67/395967767.db2.gz KYGZRFVSKFJCLC-RYUDHWBXSA-N 0 0 318.464 0.213 10 0 DCAERN COc1ccc(Cl)cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150734403 395971779 /nfs/dbraw/zinc/97/17/79/395971779.db2.gz YXCLHAWLVZAGKQ-UHFFFAOYSA-N 0 0 323.736 0.998 10 0 DCAERN Cc1cccc(C)c1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150734496 395971856 /nfs/dbraw/zinc/97/18/56/395971856.db2.gz SFXAZVNAKVHPAG-UHFFFAOYSA-N 0 0 317.345 0.718 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1sccc1OC(F)F ZINC000152131441 396000843 /nfs/dbraw/zinc/00/08/43/396000843.db2.gz XWIBYXIBPCUUSH-YFKPBYRVSA-N 0 0 304.274 0.885 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247446213 395973620 /nfs/dbraw/zinc/97/36/20/395973620.db2.gz OPFOHWPTGQPBBB-MJBXVCDLSA-N 0 0 306.362 0.936 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000247559249 395976598 /nfs/dbraw/zinc/97/65/98/395976598.db2.gz UPGIKLAQLBNBBM-FQUUOJAGSA-N 0 0 312.410 0.944 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151037524 395977016 /nfs/dbraw/zinc/97/70/16/395977016.db2.gz WVLKNESRHQCFKP-HLTSFMKQSA-N 0 0 305.787 0.980 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000247734280 395978047 /nfs/dbraw/zinc/97/80/47/395978047.db2.gz MNWQSGBQURXRQC-STQMWFEESA-N 0 0 307.398 0.977 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000151140035 395979686 /nfs/dbraw/zinc/97/96/86/395979686.db2.gz CXLQYFVRKZGYKF-YUMQZZPRSA-N 0 0 307.375 0.959 10 0 DCAERN COc1cccc([C@H]2CN([C@@H]3CC(=O)N(C)C3=O)CCO2)c1 ZINC000248045835 395982512 /nfs/dbraw/zinc/98/25/12/395982512.db2.gz VBDRIUNUTSZNDY-ZIAGYGMSSA-N 0 0 304.346 0.826 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)c1cc[nH]n1 ZINC000275536275 395985255 /nfs/dbraw/zinc/98/52/55/395985255.db2.gz DEOPUWLDAVCPCZ-RYUDHWBXSA-N 0 0 320.372 0.828 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000064290427 395985605 /nfs/dbraw/zinc/98/56/05/395985605.db2.gz UGCNCXNHFQFDOV-LBPRGKRZSA-N 0 0 316.365 0.721 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151503076 395986576 /nfs/dbraw/zinc/98/65/76/395986576.db2.gz KILUKIXMPFGJIL-JSGCOSHPSA-N 0 0 303.424 0.965 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)COc2ccccc2O)CC1 ZINC000151560675 395987975 /nfs/dbraw/zinc/98/79/75/395987975.db2.gz KYULSXXYYIZPRD-CYBMUJFWSA-N 0 0 308.378 0.686 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CC[C@H](Oc3cccnc3)C2)cn1 ZINC000151549735 395987997 /nfs/dbraw/zinc/98/79/97/395987997.db2.gz AXESEJCKKGWASM-ZDUSSCGKSA-N 0 0 300.318 0.678 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000248625291 395991381 /nfs/dbraw/zinc/99/13/81/395991381.db2.gz NSVAYESPCAGXCP-MJBXVCDLSA-N 0 0 320.455 0.130 10 0 DCAERN CCCNC(=O)CN1CCN(c2nccn3cncc23)CC1 ZINC000065240116 395991629 /nfs/dbraw/zinc/99/16/29/395991629.db2.gz WLAGBLUCXWGKDV-UHFFFAOYSA-N 0 0 302.382 0.378 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NC[C@@](C)(O)CSC ZINC000248654294 395992950 /nfs/dbraw/zinc/99/29/50/395992950.db2.gz ZJKSAPHLJIXGRH-GXTWGEPZSA-N 0 0 304.456 0.718 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCn1nnc2ccccc2c1=O ZINC000151894336 395995755 /nfs/dbraw/zinc/99/57/55/395995755.db2.gz FPKDDHSFOYAITA-WDEREUQCSA-N 0 0 304.350 0.315 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1ccccc1 ZINC000248790766 395997073 /nfs/dbraw/zinc/99/70/73/395997073.db2.gz SGQVZYHRIQIUIT-UHOFOFEASA-N 0 0 320.389 0.862 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000276441389 395997788 /nfs/dbraw/zinc/99/77/88/395997788.db2.gz FLVLQQLHHOSVMA-LLVKDONJSA-N 0 0 304.133 0.451 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000253354307 396026491 /nfs/dbraw/zinc/02/64/91/396026491.db2.gz WJQKZIFYIQPDOB-MNOVXSKESA-N 0 0 310.350 0.593 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@@H]2CCNC(=O)C2)c2ccccc2)[nH]1 ZINC000153987211 396027994 /nfs/dbraw/zinc/02/79/94/396027994.db2.gz NREIYHJUXWIDFC-OCCSQVGLSA-N 0 0 313.361 0.845 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000067611742 396029372 /nfs/dbraw/zinc/02/93/72/396029372.db2.gz HCOSNDFZESGONB-KBPBESRZSA-N 0 0 323.418 0.829 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154133295 396032108 /nfs/dbraw/zinc/03/21/08/396032108.db2.gz DPAYPYXHOCAFKW-AWEZNQCLSA-N 0 0 308.378 0.183 10 0 DCAERN O=C(CCc1ccc(F)cc1)NC[C@@H](O)CN1CCOCC1 ZINC000154151679 396033103 /nfs/dbraw/zinc/03/31/03/396033103.db2.gz ACHXXCIKFGZOAE-OAHLLOKOSA-N 0 0 310.369 0.568 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)n(C)n1 ZINC000155167586 396047636 /nfs/dbraw/zinc/04/76/36/396047636.db2.gz PRUGHOWGGCBYRV-UHFFFAOYSA-N 0 0 314.411 0.176 10 0 DCAERN C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000155359080 396050282 /nfs/dbraw/zinc/05/02/82/396050282.db2.gz JFMUXFMLKSZALU-RISCZKNCSA-N 0 0 321.406 0.861 10 0 DCAERN COc1ccccc1NCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000068396223 396055114 /nfs/dbraw/zinc/05/51/14/396055114.db2.gz ZOVJIVLBFFGRCX-CYBMUJFWSA-N 0 0 307.394 0.944 10 0 DCAERN Nc1cccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000261692846 396056937 /nfs/dbraw/zinc/05/69/37/396056937.db2.gz NFYHERFDCPVKFR-UHFFFAOYSA-N 0 0 318.421 0.245 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000155790502 396057515 /nfs/dbraw/zinc/05/75/15/396057515.db2.gz IHUMPHNKXMOREM-XCLFUZPHSA-N 0 0 302.440 0.468 10 0 DCAERN Cc1ccn2ncc(C(=O)NCC(=O)NCC(F)(F)F)c2n1 ZINC000068671611 396061786 /nfs/dbraw/zinc/06/17/86/396061786.db2.gz NRRJOATUUQNAQT-UHFFFAOYSA-N 0 0 315.255 0.446 10 0 DCAERN [NH3+]C1(C(=O)NCc2ccc3c(c2)OCCCO3)CCOCC1 ZINC000261792492 396066363 /nfs/dbraw/zinc/06/63/63/396066363.db2.gz IHUXAGHMEUPWPI-UHFFFAOYSA-N 0 0 306.362 0.972 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@@H]1C[C@H]3OCCC[C@@H]13)c2O ZINC000249256822 396004733 /nfs/dbraw/zinc/00/47/33/396004733.db2.gz YMVNOKKARJDBKR-XXILOJSOSA-N 0 0 302.334 0.971 10 0 DCAERN COc1ccc(OC)c2c1CN([C@H](C)c1nnnn1C)C[C@@H]2O ZINC000249509496 396009188 /nfs/dbraw/zinc/00/91/88/396009188.db2.gz ZLFQJMIFEBYQHQ-KOLCDFICSA-N 0 0 319.365 0.838 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000249853972 396013011 /nfs/dbraw/zinc/01/30/11/396013011.db2.gz CSEZDOMOZHXUNI-ZJUUUORDSA-N 0 0 312.395 0.669 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)C1CCCC1 ZINC000250050358 396013644 /nfs/dbraw/zinc/01/36/44/396013644.db2.gz LVCSIWNETFUZHP-DOMZBBRYSA-N 0 0 311.426 0.206 10 0 DCAERN CCn1cnc(S(=O)(=O)N2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000163622012 396086808 /nfs/dbraw/zinc/08/68/08/396086808.db2.gz SMCXLCHBSOUERU-JTQLQIEISA-N 0 0 303.384 0.063 10 0 DCAERN CN1CCC[C@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782881 396092004 /nfs/dbraw/zinc/09/20/04/396092004.db2.gz IUDUIKWENNXFTH-NSHDSACASA-N 0 0 302.338 0.799 10 0 DCAERN Cc1cnc(CCNS(=O)(=O)c2cn(C)cn2)n1CC1CC1 ZINC000169788155 396092780 /nfs/dbraw/zinc/09/27/80/396092780.db2.gz DZJJFYGOXSZMNH-UHFFFAOYSA-N 0 0 323.422 0.856 10 0 DCAERN Cn1cc(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1=O ZINC000175762061 396141811 /nfs/dbraw/zinc/14/18/11/396141811.db2.gz BFLJAVNCCQYVNJ-LLVKDONJSA-N 0 0 306.366 0.906 10 0 DCAERN COCCOCC(=O)NC1CCC(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000171047175 396104891 /nfs/dbraw/zinc/10/48/91/396104891.db2.gz ITSRWECSBIPYBH-ABXWRUBCSA-N 0 0 312.410 0.849 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)CC2 ZINC000171089483 396106425 /nfs/dbraw/zinc/10/64/25/396106425.db2.gz OXBQQGKAJCBLIC-NSHDSACASA-N 0 0 322.413 0.457 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000171287591 396112772 /nfs/dbraw/zinc/11/27/72/396112772.db2.gz GOIXHNCWGHPRPI-LBPRGKRZSA-N 0 0 302.334 0.797 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1CCN(C2CC2)CC1 ZINC000171300026 396113864 /nfs/dbraw/zinc/11/38/64/396113864.db2.gz FRUDAFJBXSHGGB-UHFFFAOYSA-N 0 0 301.394 0.997 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000175795570 396142537 /nfs/dbraw/zinc/14/25/37/396142537.db2.gz SJWFTBZNRHZEAM-ZDUSSCGKSA-N 0 0 316.361 0.638 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N1CCN(c2cccnn2)CC1 ZINC000171351065 396115440 /nfs/dbraw/zinc/11/54/40/396115440.db2.gz FHPOCJXFSZJZQL-CQSZACIVSA-N 0 0 303.410 1.000 10 0 DCAERN Cn1c(CNC(=O)N2CCNC(=O)CC2)nc2ccccc21 ZINC000171594653 396120002 /nfs/dbraw/zinc/12/00/02/396120002.db2.gz ZSEIFSSZZUKRIJ-UHFFFAOYSA-N 0 0 301.350 0.605 10 0 DCAERN CCOC(=O)CCCNC(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171616586 396120530 /nfs/dbraw/zinc/12/05/30/396120530.db2.gz JBVKKMZEMDGQNW-ZDUSSCGKSA-N 0 0 323.397 0.375 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661419 396121366 /nfs/dbraw/zinc/12/13/66/396121366.db2.gz DUTNEHPHARUNMP-LBPRGKRZSA-N 0 0 307.398 0.994 10 0 DCAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCCOC1 ZINC000171693210 396122760 /nfs/dbraw/zinc/12/27/60/396122760.db2.gz MAIQHUXJRTXVIJ-LLVKDONJSA-N 0 0 317.345 0.375 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3CO)C2)n(C)n1 ZINC000278405819 396123311 /nfs/dbraw/zinc/12/33/11/396123311.db2.gz PCJVDJXTGJYMKO-KGLIPLIRSA-N 0 0 321.425 0.864 10 0 DCAERN Cc1cccc2nc(CNC(=O)NC[C@H]3CN(C)CCO3)cn21 ZINC000171741491 396124302 /nfs/dbraw/zinc/12/43/02/396124302.db2.gz DWJBQRZSFHFDKL-AWEZNQCLSA-N 0 0 317.393 0.773 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C[C@H]3CCCO3)CC2)no1 ZINC000171787842 396125411 /nfs/dbraw/zinc/12/54/11/396125411.db2.gz VDQJUIKBYUVOGP-CYBMUJFWSA-N 0 0 308.382 0.981 10 0 DCAERN CCN1CCN(C(=O)NCc2cccnc2-n2cncn2)CC1 ZINC000071931357 396125633 /nfs/dbraw/zinc/12/56/33/396125633.db2.gz YGCKYLKSBBCYJR-UHFFFAOYSA-N 0 0 315.381 0.509 10 0 DCAERN C[NH2+][C@@H](C(=O)N1CCN(CC(F)F)CC1)c1cnn(C)c1 ZINC000262363413 396130448 /nfs/dbraw/zinc/13/04/48/396130448.db2.gz KRNACXQKERZNJI-GFCCVEGCSA-N 0 0 301.341 0.090 10 0 DCAERN C[C@H](O)CCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000172342387 396131391 /nfs/dbraw/zinc/13/13/91/396131391.db2.gz RQMMLQYXHBTPLJ-HNNXBMFYSA-N 0 0 305.422 0.691 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000174298680 396138087 /nfs/dbraw/zinc/13/80/87/396138087.db2.gz PEKIFLIJPRCZMR-VXGBXAGGSA-N 0 0 306.410 0.816 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2c[nH]nc2C(C)C)CC1 ZINC000277714026 396083262 /nfs/dbraw/zinc/08/32/62/396083262.db2.gz IYDLSIJSQUJGKF-UHFFFAOYSA-N 0 0 307.398 0.427 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263244783 396208400 /nfs/dbraw/zinc/20/84/00/396208400.db2.gz PDNDYQPHKFPHPE-NXEZZACHSA-N 0 0 313.352 0.830 10 0 DCAERN C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178790960 396208778 /nfs/dbraw/zinc/20/87/78/396208778.db2.gz UPPGBUPDWBECEQ-NXEZZACHSA-N 0 0 300.380 0.471 10 0 DCAERN CC(C)[C@@H](CNC(=O)CN1CC(=O)NC1=O)c1cccnc1 ZINC000176343179 396153640 /nfs/dbraw/zinc/15/36/40/396153640.db2.gz QYQAEYXBJDSFCN-GFCCVEGCSA-N 0 0 304.350 0.489 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000176686402 396158891 /nfs/dbraw/zinc/15/88/91/396158891.db2.gz ITKDBWCGWNUTPO-UHFFFAOYSA-N 0 0 314.451 0.898 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000074682675 396170650 /nfs/dbraw/zinc/17/06/50/396170650.db2.gz XAJMXUQSHQSOGO-CQSZACIVSA-N 0 0 303.362 0.777 10 0 DCAERN CN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000177282784 396170834 /nfs/dbraw/zinc/17/08/34/396170834.db2.gz IXVPKHGZGRUCJC-LBPRGKRZSA-N 0 0 307.398 0.858 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000074745015 396171408 /nfs/dbraw/zinc/17/14/08/396171408.db2.gz HMKHDVHOJNTXSH-NSHDSACASA-N 0 0 305.382 0.579 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177380341 396173466 /nfs/dbraw/zinc/17/34/66/396173466.db2.gz JSAOUMPONZQTKV-GARJFASQSA-N 0 0 308.386 0.715 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000177567633 396178664 /nfs/dbraw/zinc/17/86/64/396178664.db2.gz WXBIAYLUDSTXQL-QMTHXVAHSA-N 0 0 307.354 0.708 10 0 DCAERN O=S(=O)(Cc1nc2ccccc2n1C(F)F)C[C@@H](O)CO ZINC000177670213 396180492 /nfs/dbraw/zinc/18/04/92/396180492.db2.gz QCEDKWNTCFZDMP-QMMMGPOBSA-N 0 0 320.317 0.699 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000177913442 396185869 /nfs/dbraw/zinc/18/58/69/396185869.db2.gz KYVHTZBQNMSISI-CQSZACIVSA-N 0 0 323.368 0.679 10 0 DCAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H]2C)s1 ZINC000075980208 396191064 /nfs/dbraw/zinc/19/10/64/396191064.db2.gz LVACZLQUEBFFBL-CBAPKCEASA-N 0 0 303.409 0.864 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CC1 ZINC000178414894 396195904 /nfs/dbraw/zinc/19/59/04/396195904.db2.gz JOYPPBXTMLTDLD-VIFPVBQESA-N 0 0 322.386 0.870 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000076099165 396196440 /nfs/dbraw/zinc/19/64/40/396196440.db2.gz VNKPKZIGCSNUQT-ZWNOBZJWSA-N 0 0 303.362 0.780 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263311355 396212495 /nfs/dbraw/zinc/21/24/95/396212495.db2.gz YSRVALJLSMPBJN-QWRGUYRKSA-N 0 0 311.336 0.559 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263171295 396204294 /nfs/dbraw/zinc/20/42/94/396204294.db2.gz FTBRQQIMXYZVTL-VXGBXAGGSA-N 0 0 309.316 0.905 10 0 DCAERN CCOc1ccccc1CCC(=O)NCC(=O)N1CCOCC1 ZINC000181065851 396237307 /nfs/dbraw/zinc/23/73/07/396237307.db2.gz PVMBJYGLARGZDH-UHFFFAOYSA-N 0 0 320.389 0.993 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2cccc(C(N)=O)c2)cn1 ZINC000181328638 396239194 /nfs/dbraw/zinc/23/91/94/396239194.db2.gz YPTNVWSFLFLGGP-CQSZACIVSA-N 0 0 313.361 0.306 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N(C)CC(=O)NC(C)C ZINC000181642787 396240882 /nfs/dbraw/zinc/24/08/82/396240882.db2.gz SJYJHUPQEVQIQP-UHFFFAOYSA-N 0 0 319.365 0.574 10 0 DCAERN CCCNC(=O)CCNC(=O)c1cnc2c(cnn2C)c1OC ZINC000182314172 396250067 /nfs/dbraw/zinc/25/00/67/396250067.db2.gz YTIQPRBBEUTPTJ-UHFFFAOYSA-N 0 0 319.365 0.623 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCOCC1 ZINC000182408774 396250509 /nfs/dbraw/zinc/25/05/09/396250509.db2.gz ULHXLSCVSZQTIV-ZDUSSCGKSA-N 0 0 304.350 0.619 10 0 DCAERN COCCN(C)S(=O)(=O)NCc1nccn1CC(C)C ZINC000182419299 396250747 /nfs/dbraw/zinc/25/07/47/396250747.db2.gz OBSUQIAFRBGFJW-UHFFFAOYSA-N 0 0 304.416 0.452 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000182863553 396255694 /nfs/dbraw/zinc/25/56/94/396255694.db2.gz KGFAVBBYORJKRA-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccc(N2CCNC2=O)cc1 ZINC000182919260 396256616 /nfs/dbraw/zinc/25/66/16/396256616.db2.gz LOPBCFISRRLSHR-UHFFFAOYSA-N 0 0 314.349 0.628 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000182924983 396256697 /nfs/dbraw/zinc/25/66/97/396256697.db2.gz MGERSDOSINGCGK-UHFFFAOYSA-N 0 0 301.350 0.800 10 0 DCAERN O=C(Cn1cnc(-c2ccccc2)n1)NCCCn1ccnn1 ZINC000182958907 396257442 /nfs/dbraw/zinc/25/74/42/396257442.db2.gz JPQISVIBURTZBT-UHFFFAOYSA-N 0 0 311.349 0.743 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NCCCn1ccnn1 ZINC000183000829 396258188 /nfs/dbraw/zinc/25/81/88/396258188.db2.gz YLDKHONYMZZUQJ-LLVKDONJSA-N 0 0 311.411 0.486 10 0 DCAERN CO[C@H](C)CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000183008386 396258206 /nfs/dbraw/zinc/25/82/06/396258206.db2.gz DSBWHLPEPUIDCX-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)NCCCn2ccnn2)cc1 ZINC000183023081 396259285 /nfs/dbraw/zinc/25/92/85/396259285.db2.gz QFNDGRAVWWCAMD-UHFFFAOYSA-N 0 0 322.390 0.892 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC(=O)N2CCCCC2)C1 ZINC000079031105 396260139 /nfs/dbraw/zinc/26/01/39/396260139.db2.gz SUZCZCRQXUPVAV-GFCCVEGCSA-N 0 0 303.428 0.565 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CC(=O)NCC2(C)C)c1C ZINC000282089796 396262292 /nfs/dbraw/zinc/26/22/92/396262292.db2.gz RULCPKJWOGJNLD-UHFFFAOYSA-N 0 0 314.411 0.419 10 0 DCAERN O=C(CCNC(=O)NCCCn1ccnn1)Nc1ccccc1 ZINC000183517857 396271026 /nfs/dbraw/zinc/27/10/26/396271026.db2.gz LRBWTRQHKUAIOJ-UHFFFAOYSA-N 0 0 316.365 0.996 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C(=O)OC)co1)CC2 ZINC000183662484 396272604 /nfs/dbraw/zinc/27/26/04/396272604.db2.gz NQYZYLPJCUZXPX-JTQLQIEISA-N 0 0 318.333 0.965 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O ZINC000183857454 396276431 /nfs/dbraw/zinc/27/64/31/396276431.db2.gz SEFIWNCKQPXUAH-NHYWBVRUSA-N 0 0 306.366 0.939 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O ZINC000183857396 396276709 /nfs/dbraw/zinc/27/67/09/396276709.db2.gz SEFIWNCKQPXUAH-IAQYHMDHSA-N 0 0 306.366 0.939 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1nccc(N)n1 ZINC000183903274 396277460 /nfs/dbraw/zinc/27/74/60/396277460.db2.gz XWJUZVDFMXZOSE-UHFFFAOYSA-N 0 0 313.321 0.279 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2c[nH]c3cc(F)ccc23)CCO1 ZINC000183983046 396279886 /nfs/dbraw/zinc/27/98/86/396279886.db2.gz KDQFWSGMXWDRGJ-ZDUSSCGKSA-N 0 0 305.309 0.894 10 0 DCAERN O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CC(F)(F)CN1 ZINC000263313962 396213744 /nfs/dbraw/zinc/21/37/44/396213744.db2.gz ZEKGYPMVBALXOP-QWRGUYRKSA-N 0 0 311.336 0.559 10 0 DCAERN O=C1NCC[C@H]1Sc1n[nH]c(=O)n1CCc1ccccc1 ZINC000179005138 396218000 /nfs/dbraw/zinc/21/80/00/396218000.db2.gz CYGVSVHLFYXQMB-LLVKDONJSA-N 0 0 304.375 0.795 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c(C)s1 ZINC000179058734 396220593 /nfs/dbraw/zinc/22/05/93/396220593.db2.gz UKRVRPLWPFBKCU-GFCCVEGCSA-N 0 0 315.464 0.643 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCC3(C)OCCO3)no2)c1 ZINC000179210487 396224183 /nfs/dbraw/zinc/22/41/83/396224183.db2.gz RSMMUSRQRVAMOR-UHFFFAOYSA-N 0 0 306.322 0.721 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)NC[C@]1(O)CCOC1 ZINC000179613753 396228158 /nfs/dbraw/zinc/22/81/58/396228158.db2.gz KJBSXHQXKVTGKZ-CQSZACIVSA-N 0 0 300.305 0.958 10 0 DCAERN C[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)[C@H](C)CO ZINC000077771935 396232715 /nfs/dbraw/zinc/23/27/15/396232715.db2.gz PJBKZKPYBGGPBY-CHWSQXEVSA-N 0 0 322.409 0.734 10 0 DCAERN Cn1nccc1CCC(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000184956978 396311458 /nfs/dbraw/zinc/31/14/58/396311458.db2.gz HFVQDBPRQJYSMQ-UHFFFAOYSA-N 0 0 316.361 0.605 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)Cn2cccn2)CC1 ZINC000184938696 396311867 /nfs/dbraw/zinc/31/18/67/396311867.db2.gz MSXYXYWYGYAKOP-LSDHHAIUSA-N 0 0 323.441 0.617 10 0 DCAERN Cc1cc(NC(=O)CN2CCOC[C@H]2c2nc(C)no2)no1 ZINC000185068186 396315906 /nfs/dbraw/zinc/31/59/06/396315906.db2.gz YMMDOPLYQTWSRC-JTQLQIEISA-N 0 0 307.310 0.686 10 0 DCAERN CSc1ccc(CN(C)C(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185130287 396318546 /nfs/dbraw/zinc/31/85/46/396318546.db2.gz YZBSTOVJQQWJFL-KGLIPLIRSA-N 0 0 324.446 0.794 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1cnn(C)c1 ZINC000184191934 396287496 /nfs/dbraw/zinc/28/74/96/396287496.db2.gz OLUCVGGSDCSIOU-UHFFFAOYSA-N 0 0 300.322 0.640 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000282436357 396290164 /nfs/dbraw/zinc/29/01/64/396290164.db2.gz RGZGRTZBJYFMCA-SNVBAGLBSA-N 0 0 317.345 0.517 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184380213 396293096 /nfs/dbraw/zinc/29/30/96/396293096.db2.gz LEKGQENHINCHNX-ONGXEEELSA-N 0 0 303.362 0.978 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000184429005 396295110 /nfs/dbraw/zinc/29/51/10/396295110.db2.gz VPYVEEMXLQQWEP-LBPRGKRZSA-N 0 0 318.381 0.650 10 0 DCAERN CNC(=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000184522908 396298055 /nfs/dbraw/zinc/29/80/55/396298055.db2.gz OWHPZZSNTGWHFT-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN COc1ccc(CNC(=O)CN2CCO[C@]3(CCOC3)C2)cc1 ZINC000185175277 396320450 /nfs/dbraw/zinc/32/04/50/396320450.db2.gz QKXIMRWHZSOQOE-QGZVFWFLSA-N 0 0 320.389 0.803 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccnc2OC)CC1 ZINC000184817217 396307456 /nfs/dbraw/zinc/30/74/56/396307456.db2.gz LVIHBHLVDYGFKN-CQSZACIVSA-N 0 0 322.409 0.688 10 0 DCAERN C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1N1CCOCC1 ZINC000184829643 396308115 /nfs/dbraw/zinc/30/81/15/396308115.db2.gz DXMLXQZKDGHKAI-DZGCQCFKSA-N 0 0 321.425 0.697 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000265362293 396309726 /nfs/dbraw/zinc/30/97/26/396309726.db2.gz XNAAMILLQNAVHM-AWEZNQCLSA-N 0 0 324.402 0.582 10 0 DCAERN CCOCCCCNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000184887010 396310387 /nfs/dbraw/zinc/31/03/87/396310387.db2.gz UWZBXKBFCDHGQX-AWEZNQCLSA-N 0 0 301.431 0.901 10 0 DCAERN CNC(=O)CC(=O)Nc1cc(-c2ccccc2C)nn1CCO ZINC000184931950 396310927 /nfs/dbraw/zinc/31/09/27/396310927.db2.gz IVWWNFUABYNPSI-UHFFFAOYSA-N 0 0 316.361 0.925 10 0 DCAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@]2(CCOC2)C1 ZINC000185203446 396321681 /nfs/dbraw/zinc/32/16/81/396321681.db2.gz CQYYTFOJHCNSLV-IINYFYTJSA-N 0 0 308.386 0.072 10 0 DCAERN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CC(=O)NC ZINC000185279744 396323548 /nfs/dbraw/zinc/32/35/48/396323548.db2.gz OOEGSLOEXASMOI-UHFFFAOYSA-N 0 0 313.304 0.888 10 0 DCAERN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(CO)CCCC1 ZINC000185372951 396326089 /nfs/dbraw/zinc/32/60/89/396326089.db2.gz BPQOVEVMFRPOMG-AWEZNQCLSA-N 0 0 313.442 0.949 10 0 DCAERN CNC(=O)CC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000185441722 396328395 /nfs/dbraw/zinc/32/83/95/396328395.db2.gz JAAPEBZKOGOCOY-KGLIPLIRSA-N 0 0 318.373 0.928 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265679952 396336882 /nfs/dbraw/zinc/33/68/82/396336882.db2.gz IZTYAGPPVJHOAC-WDEREUQCSA-N 0 0 300.384 0.100 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CCN1CCCC[C@@]1(C)C(N)=O ZINC000185941366 396337960 /nfs/dbraw/zinc/33/79/60/396337960.db2.gz SBTBISKBXVTMCK-IYBDPMFKSA-N 0 0 310.442 0.446 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)CC2 ZINC000186005184 396339354 /nfs/dbraw/zinc/33/93/54/396339354.db2.gz SFEDKMSBGJIUJI-NSHDSACASA-N 0 0 321.406 0.716 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186023089 396339531 /nfs/dbraw/zinc/33/95/31/396339531.db2.gz AIRSNLGKZYJPNW-NHYWBVRUSA-N 0 0 324.402 0.884 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000186058561 396339830 /nfs/dbraw/zinc/33/98/30/396339830.db2.gz JUGWOFGKSNBEHG-OAHLLOKOSA-N 0 0 315.333 0.294 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCO[C@@]4(CCOC4)C3)ccc21 ZINC000186054401 396340080 /nfs/dbraw/zinc/34/00/80/396340080.db2.gz RTFOMRLFZBYWAT-HNNXBMFYSA-N 0 0 302.334 0.600 10 0 DCAERN COc1ccc(CCC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000284824915 396346779 /nfs/dbraw/zinc/34/67/79/396346779.db2.gz CEBGRPHBQTZAQY-MRXNPFEDSA-N 0 0 306.362 0.467 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CC(=O)N1C ZINC000283684048 396343239 /nfs/dbraw/zinc/34/32/39/396343239.db2.gz ZLKNKHUSGNVTJK-VXGBXAGGSA-N 0 0 305.382 0.105 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000186186756 396343802 /nfs/dbraw/zinc/34/38/02/396343802.db2.gz CDSMJOXJBPUGER-NSHDSACASA-N 0 0 315.439 0.564 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000186656936 396354997 /nfs/dbraw/zinc/35/49/97/396354997.db2.gz UHMOEKFOYKXXIN-SNVBAGLBSA-N 0 0 320.436 0.875 10 0 DCAERN Cc1cc(C(C)C)nc(N2CCN(CC(=O)NC(N)=O)CC2)n1 ZINC000186870610 396359702 /nfs/dbraw/zinc/35/97/02/396359702.db2.gz LJMSMSANWQZDRM-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)on1 ZINC000285962633 396366094 /nfs/dbraw/zinc/36/60/94/396366094.db2.gz NNHZGDSAOUOTPN-MXWKQRLJSA-N 0 0 307.354 0.408 10 0 DCAERN COCc1noc(CN2CCN(C(=O)CSC)CC2)n1 ZINC000187424602 396369284 /nfs/dbraw/zinc/36/92/84/396369284.db2.gz FAMIWCHFRBHBBR-UHFFFAOYSA-N 0 0 300.384 0.223 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Cc2ccc(OC(C)C)cc2)CCO1 ZINC000187586699 396371538 /nfs/dbraw/zinc/37/15/38/396371538.db2.gz SIWYQCWTEPCTDC-OAHLLOKOSA-N 0 0 320.389 0.990 10 0 DCAERN COC(=O)C1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000186506697 396351490 /nfs/dbraw/zinc/35/14/90/396351490.db2.gz ROGUOQWRZIQMLB-UHFFFAOYSA-N 0 0 301.302 0.606 10 0 DCAERN CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000188397231 396381842 /nfs/dbraw/zinc/38/18/42/396381842.db2.gz OLTWUVVXXFHREM-UPJWGTAASA-N 0 0 308.444 0.991 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188749563 396385512 /nfs/dbraw/zinc/38/55/12/396385512.db2.gz LNCAENYXJGOVQM-AWEZNQCLSA-N 0 0 319.405 0.250 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3CCO[C@H](CO)C3)c12 ZINC000269122745 396387469 /nfs/dbraw/zinc/38/74/69/396387469.db2.gz IBEXLKLTXYDPQN-NSHDSACASA-N 0 0 304.350 0.418 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)Cc1cccc(F)c1 ZINC000188935645 396388610 /nfs/dbraw/zinc/38/86/10/396388610.db2.gz WPSGIFYYSQPIQZ-NSHDSACASA-N 0 0 321.352 0.221 10 0 DCAERN COCCCN(CCO)C(=O)Cn1ccc(=O)c2ccccc21 ZINC000189040306 396389822 /nfs/dbraw/zinc/38/98/22/396389822.db2.gz RLAPPTQZOPGBJY-UHFFFAOYSA-N 0 0 318.373 0.859 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000189118172 396391249 /nfs/dbraw/zinc/39/12/49/396391249.db2.gz GCOLNGROQUEMPI-IJLUTSLNSA-N 0 0 300.424 0.965 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189170743 396391277 /nfs/dbraw/zinc/39/12/77/396391277.db2.gz NJXDZDAMFNLBAU-NSHDSACASA-N 0 0 302.400 0.205 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000189218483 396392298 /nfs/dbraw/zinc/39/22/98/396392298.db2.gz IDDJNDKUKKZCPW-ZDUSSCGKSA-N 0 0 317.411 0.643 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@H]1CO ZINC000189281230 396392723 /nfs/dbraw/zinc/39/27/23/396392723.db2.gz GHXRASYSMOMDNT-RDBSUJKOSA-N 0 0 321.425 0.659 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC000189645359 396397227 /nfs/dbraw/zinc/39/72/27/396397227.db2.gz YHOCDMRGYSALIB-JTQLQIEISA-N 0 0 312.333 0.948 10 0 DCAERN CCOCCNC(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189728683 396398104 /nfs/dbraw/zinc/39/81/04/396398104.db2.gz VNKLSYLFNRLNGI-UHFFFAOYSA-N 0 0 321.425 0.562 10 0 DCAERN Cc1cc(N2CCN(C(=O)COC[C@@H]3CCOC3)CC2)n[nH]1 ZINC000189746372 396398428 /nfs/dbraw/zinc/39/84/28/396398428.db2.gz VTJBATYMCCZEOU-CYBMUJFWSA-N 0 0 308.382 0.420 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000287398968 396399274 /nfs/dbraw/zinc/39/92/74/396399274.db2.gz OKCOLCHHXMXVDL-UHFFFAOYSA-N 0 0 303.771 0.552 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NCCCNS(C)(=O)=O ZINC000190083008 396402389 /nfs/dbraw/zinc/40/23/89/396402389.db2.gz HCTZPTJCAHUYSG-UHFFFAOYSA-N 0 0 317.411 0.851 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000190388461 396405704 /nfs/dbraw/zinc/40/57/04/396405704.db2.gz HPFWKKAUIIQYHZ-LBPRGKRZSA-N 0 0 310.398 0.260 10 0 DCAERN COCCN1CCCN(CCO[C@H]2CCCCO2)CC1=O ZINC000193129196 396444427 /nfs/dbraw/zinc/44/44/27/396444427.db2.gz JLFHOLJGIUCMRZ-HNNXBMFYSA-N 0 0 300.399 0.710 10 0 DCAERN Cc1ccc(-n2nnnc2NC[C@H](O)CN2CCOCC2)cc1 ZINC000269314121 396406764 /nfs/dbraw/zinc/40/67/64/396406764.db2.gz FATFRCLPACDWQE-AWEZNQCLSA-N 0 0 318.381 0.076 10 0 DCAERN CCN1CN(C(=O)c2cccc(S(=O)(=O)CC)c2)CC1=O ZINC000190511226 396407000 /nfs/dbraw/zinc/40/70/00/396407000.db2.gz XWVCSASIISVCOK-UHFFFAOYSA-N 0 0 310.375 0.742 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1=O ZINC000190552332 396407540 /nfs/dbraw/zinc/40/75/40/396407540.db2.gz UDDGWDHQBPCYKH-AWEZNQCLSA-N 0 0 315.373 0.939 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)ccc1F ZINC000190681675 396410519 /nfs/dbraw/zinc/41/05/19/396410519.db2.gz FJWLADPNYUJOSE-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CCCC[C@H](C(=O)OC)N1CCCN(CCOC)C(=O)C1 ZINC000190784114 396411247 /nfs/dbraw/zinc/41/12/47/396411247.db2.gz XDKMVJAHTFVQRQ-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN Cc1oc2nc(CN(C[C@H](C)O)[C@@H](C)CO)nc(N)c2c1C ZINC000190823532 396411823 /nfs/dbraw/zinc/41/18/23/396411823.db2.gz UHIALMIXKFCQED-IUCAKERBSA-N 0 0 308.382 0.985 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000190915990 396413440 /nfs/dbraw/zinc/41/34/40/396413440.db2.gz LSSYTDVRPYJUOP-SNVBAGLBSA-N 0 0 320.319 0.142 10 0 DCAERN CN1CCCN(CC(=O)NC(=O)NC2CCCCC2)CC1=O ZINC000191071346 396414996 /nfs/dbraw/zinc/41/49/96/396414996.db2.gz LIURBJYEZYOMCT-UHFFFAOYSA-N 0 0 310.398 0.309 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCCN(C)C(=O)C1 ZINC000191085528 396415097 /nfs/dbraw/zinc/41/50/97/396415097.db2.gz MGMRXJLWOPXPOM-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000191494431 396420840 /nfs/dbraw/zinc/42/08/40/396420840.db2.gz WFTJGAUZKOMXKH-SECBINFHSA-N 0 0 302.334 0.520 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000191764012 396424453 /nfs/dbraw/zinc/42/44/53/396424453.db2.gz PKNBZDJNGAGVPG-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccccc1C(N)=O ZINC000192054513 396428971 /nfs/dbraw/zinc/42/89/71/396428971.db2.gz PNFQVLLASIAPDB-CYBMUJFWSA-N 0 0 313.361 0.879 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@H](C)S(=O)(=O)CC2)C1 ZINC000192344657 396430928 /nfs/dbraw/zinc/43/09/28/396430928.db2.gz ZGGXYYUDASVMNU-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN COc1cc2c(cc1F)ncnc2N[C@@H]1CC(=O)N(C)C1=O ZINC000192627595 396434196 /nfs/dbraw/zinc/43/41/96/396434196.db2.gz VWQZNFBVVRKXMX-SNVBAGLBSA-N 0 0 304.281 0.947 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000192738198 396436841 /nfs/dbraw/zinc/43/68/41/396436841.db2.gz ZCFCRPRXLYJZHV-ZDUSSCGKSA-N 0 0 303.362 0.496 10 0 DCAERN COc1ccnc(NC2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000192866600 396439839 /nfs/dbraw/zinc/43/98/39/396439839.db2.gz DRDTUNGZXGSGRF-UHFFFAOYSA-N 0 0 315.381 0.934 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000188103142 396379177 /nfs/dbraw/zinc/37/91/77/396379177.db2.gz ILDAUPQNSILOPB-JTQLQIEISA-N 0 0 321.381 0.244 10 0 DCAERN CCCNC(=O)CNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193262072 396447752 /nfs/dbraw/zinc/44/77/52/396447752.db2.gz LBBALPHACKXJSU-GFCCVEGCSA-N 0 0 318.377 0.938 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)c1c[nH]nc1C(C)C ZINC000193489745 396452639 /nfs/dbraw/zinc/45/26/39/396452639.db2.gz JPPWWTYKBCZRBX-UHFFFAOYSA-N 0 0 302.400 0.591 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1 ZINC000289058275 396454215 /nfs/dbraw/zinc/45/42/15/396454215.db2.gz YQIWJNKLORKQNZ-UHFFFAOYSA-N 0 0 309.391 0.702 10 0 DCAERN CN(C)c1ncccc1O[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC000289309038 396458723 /nfs/dbraw/zinc/45/87/23/396458723.db2.gz JAHPNMCBWCOGCC-ZDUSSCGKSA-N 0 0 304.394 0.879 10 0 DCAERN C=CC(=O)NCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000270054505 396459894 /nfs/dbraw/zinc/45/98/94/396459894.db2.gz NIQUCNHGNVUFBC-UHFFFAOYSA-N 0 0 303.322 0.260 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000371632150 396472531 /nfs/dbraw/zinc/47/25/31/396472531.db2.gz GAEQLRDKWJNNBE-AGIUHOORSA-N 0 0 312.366 0.034 10 0 DCAERN COc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000371789864 396476877 /nfs/dbraw/zinc/47/68/77/396476877.db2.gz UKHYBZYIDZJFQR-GFCCVEGCSA-N 0 0 306.362 0.860 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCN2CCOC[C@H]2C1 ZINC000371794546 396476933 /nfs/dbraw/zinc/47/69/33/396476933.db2.gz HNORJKAFMNCIGV-CYBMUJFWSA-N 0 0 317.389 0.823 10 0 DCAERN O=C(COCCc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000371798051 396476972 /nfs/dbraw/zinc/47/69/72/396476972.db2.gz XYSXCZKHWCTKKM-INIZCTEOSA-N 0 0 304.390 0.789 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N1CCN2CCOC[C@@H]2C1 ZINC000371790806 396476979 /nfs/dbraw/zinc/47/69/79/396476979.db2.gz ZQRUIVDATIAWRS-ZDUSSCGKSA-N 0 0 304.346 0.501 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1C ZINC000371833647 396478124 /nfs/dbraw/zinc/47/81/24/396478124.db2.gz CBJXYDYLXTVXER-AWEZNQCLSA-N 0 0 317.389 0.785 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N(C)[C@H]1CCSC1 ZINC000516504557 396514810 /nfs/dbraw/zinc/51/48/10/396514810.db2.gz FFXHHPDWPCLAOX-WDEREUQCSA-N 0 0 323.422 0.502 10 0 DCAERN CN(C)[C@H](C(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000371868544 396479154 /nfs/dbraw/zinc/47/91/54/396479154.db2.gz BAIQNDLSLKTOPJ-HOTGVXAUSA-N 0 0 303.406 0.832 10 0 DCAERN O=Cc1cccc(OCCC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371869599 396479165 /nfs/dbraw/zinc/47/91/65/396479165.db2.gz ITWPYRDBYQVLAU-HNNXBMFYSA-N 0 0 318.373 0.811 10 0 DCAERN COC(C)(C)CN(C)C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000580022658 396483270 /nfs/dbraw/zinc/48/32/70/396483270.db2.gz BGCKKVWFTQLSML-UHFFFAOYSA-N 0 0 308.382 0.970 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1=O ZINC000372060434 396485261 /nfs/dbraw/zinc/48/52/61/396485261.db2.gz IORSLWVHUFQOCK-TZMCWYRMSA-N 0 0 319.361 0.706 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](n3cccn3)C2)N(C(C)=O)C1 ZINC000291381688 396486838 /nfs/dbraw/zinc/48/68/38/396486838.db2.gz ZLTFCDKBVLMNLC-HZSPNIEDSA-N 0 0 306.366 0.292 10 0 DCAERN c1cc(N2CCO[C@@H]([C@@H]3CCCO3)C2)nc(N2CCOCC2)n1 ZINC000373382650 396587550 /nfs/dbraw/zinc/58/75/50/396587550.db2.gz JIHVEZUNRHLPNJ-UONOGXRCSA-N 0 0 320.393 0.697 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCCOCC1CC1 ZINC000594814511 396520513 /nfs/dbraw/zinc/52/05/13/396520513.db2.gz PHGOGMNCDAAPGG-UHFFFAOYSA-N 0 0 319.427 0.138 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc2c(c1)OCCO2 ZINC000372557604 396527661 /nfs/dbraw/zinc/52/76/61/396527661.db2.gz NVKLAOXRKWRGEM-DOMZBBRYSA-N 0 0 307.346 0.956 10 0 DCAERN Cc1cccc(CNC(=O)CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1 ZINC000292299643 396543000 /nfs/dbraw/zinc/54/30/00/396543000.db2.gz DBCPPEYSAUVPOF-NVXWUHKLSA-N 0 0 319.449 0.998 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c1 ZINC000528481730 396555880 /nfs/dbraw/zinc/55/58/80/396555880.db2.gz AITLTCDSMJKLSY-ZIAGYGMSSA-N 0 0 313.375 0.707 10 0 DCAERN CCOCCN(C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000373162439 396571465 /nfs/dbraw/zinc/57/14/65/396571465.db2.gz BHPNFMZRAMQAFX-ZDUSSCGKSA-N 0 0 313.398 0.444 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1c1ncnc2c1ncn2C1CC1 ZINC000292879204 396573614 /nfs/dbraw/zinc/57/36/14/396573614.db2.gz YQBARBCDBNMUJV-VIFPVBQESA-N 0 0 307.379 0.785 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1c[nH]c2ncccc12 ZINC000585733604 396651420 /nfs/dbraw/zinc/65/14/20/396651420.db2.gz DCWPXWGXNHBRQE-UHFFFAOYSA-N 0 0 322.390 0.718 10 0 DCAERN CCc1ncncc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585733806 396651524 /nfs/dbraw/zinc/65/15/24/396651524.db2.gz HXVJGRVLABQLSX-UHFFFAOYSA-N 0 0 312.395 0.194 10 0 DCAERN CCc1c(C(=O)NCCCN2CCCS2(=O)=O)cnn1C ZINC000585733736 396651596 /nfs/dbraw/zinc/65/15/96/396651596.db2.gz GRWRRDRYZUESRE-UHFFFAOYSA-N 0 0 314.411 0.138 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1Cc2ccccc2O1 ZINC000585736961 396652236 /nfs/dbraw/zinc/65/22/36/396652236.db2.gz WBIQMAHYHJBMLF-AWEZNQCLSA-N 0 0 324.402 0.532 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)nn1 ZINC000582008916 396601633 /nfs/dbraw/zinc/60/16/33/396601633.db2.gz IHLANFHGYMOUKC-MEBBXXQBSA-N 0 0 320.324 0.858 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CCC[C@@H]1C ZINC000373637502 396604364 /nfs/dbraw/zinc/60/43/64/396604364.db2.gz ZHJFMBJZHQSOTC-RVMXOQNASA-N 0 0 316.423 0.989 10 0 DCAERN COC(=O)CC1(CC(=O)N2CCN3C(=O)NC[C@H]3C2)CCCC1 ZINC000373642263 396604984 /nfs/dbraw/zinc/60/49/84/396604984.db2.gz WUASULUTLRQLSY-LBPRGKRZSA-N 0 0 323.393 0.736 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000562304270 396656332 /nfs/dbraw/zinc/65/63/32/396656332.db2.gz XCKSOCDDGXWBHC-HUUCEWRRSA-N 0 0 321.425 0.815 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000373749888 396611671 /nfs/dbraw/zinc/61/16/71/396611671.db2.gz CQFFOWWEKLJYJJ-HFAKWTLXSA-N 0 0 309.366 0.391 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000560485020 396616904 /nfs/dbraw/zinc/61/69/04/396616904.db2.gz NFFBKNIZEHTPNP-VGWMRTNUSA-N 0 0 315.410 0.423 10 0 DCAERN O=S(=O)(NCCCN1CCCS1(=O)=O)C1CCCCC1 ZINC000595604158 396637673 /nfs/dbraw/zinc/63/76/73/396637673.db2.gz NCZADOXQVOARRR-UHFFFAOYSA-N 0 0 324.468 0.664 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)n(C)c1 ZINC000374120500 396640831 /nfs/dbraw/zinc/64/08/31/396640831.db2.gz OHUXDISFMULCAY-OASPWFOLSA-N 0 0 303.362 0.967 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)N1CCCC1=O ZINC000374141743 396642133 /nfs/dbraw/zinc/64/21/33/396642133.db2.gz MOJHAHQXHCEJEE-VPWBDBDCSA-N 0 0 321.421 0.759 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000303092379 396725434 /nfs/dbraw/zinc/72/54/34/396725434.db2.gz XPYOUQWJEDFCDC-ZBEGNZNMSA-N 0 0 317.345 0.402 10 0 DCAERN CNC(=O)Cc1noc(CN2CCC(C3CCOCC3)CC2)n1 ZINC000562467484 396666559 /nfs/dbraw/zinc/66/65/59/396666559.db2.gz BSLLVMRYDXVXAN-UHFFFAOYSA-N 0 0 322.409 0.997 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)NCCOCC1CCC1 ZINC000562914879 396685495 /nfs/dbraw/zinc/68/54/95/396685495.db2.gz BSVWKGBAJJPXLP-UHFFFAOYSA-N 0 0 321.443 0.430 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000375006072 396703825 /nfs/dbraw/zinc/70/38/25/396703825.db2.gz SWGIYYZPVTZINL-LLVKDONJSA-N 0 0 320.345 0.783 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ncccn2)C1)C(C)C ZINC000563173672 396711055 /nfs/dbraw/zinc/71/10/55/396711055.db2.gz BUDVZLIOBKQLMU-STQMWFEESA-N 0 0 305.382 0.650 10 0 DCAERN CN1CCN(c2cc(NCC[C@@H]3CCCO3)ncn2)CC1=O ZINC000302221074 396718047 /nfs/dbraw/zinc/71/80/47/396718047.db2.gz NMMUKHNDNVHBBG-LBPRGKRZSA-N 0 0 305.382 0.736 10 0 DCAERN CCNC(=O)CN1CCN(c2nccnc2OC(C)C)CC1 ZINC000302226007 396718553 /nfs/dbraw/zinc/71/85/53/396718553.db2.gz PDRKOCLIEQIDQW-UHFFFAOYSA-N 0 0 307.398 0.522 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1F ZINC000375211388 396718756 /nfs/dbraw/zinc/71/87/56/396718756.db2.gz PBHDXECGURDIAC-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nc(COC)ns2)C1 ZINC000302561571 396720613 /nfs/dbraw/zinc/72/06/13/396720613.db2.gz NCKGNVBKCUAWAL-UHFFFAOYSA-N 0 0 306.413 0.378 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCN[C@@H](c3ccncc3)C2)CC1=O ZINC000374378147 396659076 /nfs/dbraw/zinc/65/90/76/396659076.db2.gz QBPDAGNRJIIEOX-ZIAGYGMSSA-N 0 0 302.378 0.423 10 0 DCAERN O=C(NCCOCC1CCC1)c1cnc2n(c1=O)CCS2 ZINC000563845737 396784906 /nfs/dbraw/zinc/78/49/06/396784906.db2.gz WARDSTPJPGEDKW-UHFFFAOYSA-N 0 0 309.391 0.896 10 0 DCAERN COC[C@@H](O)CNC(=O)Cn1cc(C(=O)OC)c2ccccc21 ZINC000610950137 396791584 /nfs/dbraw/zinc/79/15/84/396791584.db2.gz FZQPNRBVHIVQJW-NSHDSACASA-N 0 0 320.345 0.551 10 0 DCAERN COC[C@](C)(CO)NC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000610584451 396732588 /nfs/dbraw/zinc/73/25/88/396732588.db2.gz TZLHQSWYVGXVRS-RNODOKPDSA-N 0 0 300.380 0.943 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)c(F)c1 ZINC000629393347 396736251 /nfs/dbraw/zinc/73/62/51/396736251.db2.gz ANTCVUOKJUVZMG-LLVKDONJSA-N 0 0 308.309 0.745 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)cc1O ZINC000629393576 396737969 /nfs/dbraw/zinc/73/79/69/396737969.db2.gz XVLMIKUBVYZDOK-NSHDSACASA-N 0 0 306.318 0.311 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000629403178 396745206 /nfs/dbraw/zinc/74/52/06/396745206.db2.gz SWTAEMHCTQGBDG-AWEZNQCLSA-N 0 0 304.346 0.535 10 0 DCAERN O=C1NCC[C@@H]1Nc1ccc(I)cn1 ZINC000596311644 396761747 /nfs/dbraw/zinc/76/17/47/396761747.db2.gz QJYSFEQGALLYMP-ZETCQYMHSA-N 0 0 303.103 0.987 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)nc1 ZINC000590356228 396762674 /nfs/dbraw/zinc/76/26/74/396762674.db2.gz TUVQJGKSWVDHIU-INIZCTEOSA-N 0 0 317.345 0.611 10 0 DCAERN CN1CC(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629502438 396772321 /nfs/dbraw/zinc/77/23/21/396772321.db2.gz GSUNQFYECVSZKV-ZDUSSCGKSA-N 0 0 304.350 0.176 10 0 DCAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CCC2CC2)n1 ZINC000328629866 396827372 /nfs/dbraw/zinc/82/73/72/396827372.db2.gz PGAMHSWQJGMIOG-WDEREUQCSA-N 0 0 315.395 0.870 10 0 DCAERN Cc1nc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)cn1C ZINC000328630043 396827415 /nfs/dbraw/zinc/82/74/15/396827415.db2.gz PKHJKVGGJLQIHJ-NSHDSACASA-N 0 0 309.395 0.466 10 0 DCAERN Cc1cn2nc(N3CCC[C@@H]3c3nc(C(N)=O)no3)sc2n1 ZINC000328637581 396828785 /nfs/dbraw/zinc/82/87/85/396828785.db2.gz WAVMHAHJYCNUKF-SSDOTTSWSA-N 0 0 319.350 0.923 10 0 DCAERN CCCc1cc(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)[nH]n1 ZINC000328642198 396829129 /nfs/dbraw/zinc/82/91/29/396829129.db2.gz QYUQKSXOJCCXRO-LBPRGKRZSA-N 0 0 323.397 0.670 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H]1CCCOC1 ZINC000625323368 396837154 /nfs/dbraw/zinc/83/71/54/396837154.db2.gz CTHIYDMLSWODQP-NSHDSACASA-N 0 0 313.398 0.091 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329047031 396837712 /nfs/dbraw/zinc/83/77/12/396837712.db2.gz QECFBJZWQKOPDK-KFWWJZLASA-N 0 0 321.421 0.463 10 0 DCAERN COc1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC000375902566 396839841 /nfs/dbraw/zinc/83/98/41/396839841.db2.gz NGIQZPZPODWLBA-ZDUSSCGKSA-N 0 0 308.353 0.920 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375893354 396840301 /nfs/dbraw/zinc/84/03/01/396840301.db2.gz YNUIFQLCYQDOKQ-UHFFFAOYSA-N 0 0 320.320 0.395 10 0 DCAERN COC(=O)CSCCC(=O)NC1(CCO)CCOCC1 ZINC000611526664 396880637 /nfs/dbraw/zinc/88/06/37/396880637.db2.gz BKUIQOATFYDKEU-UHFFFAOYSA-N 0 0 305.396 0.331 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCCC1 ZINC000629930690 396889226 /nfs/dbraw/zinc/88/92/26/396889226.db2.gz KDVAEUBEJANLJM-CABCVRRESA-N 0 0 321.421 0.951 10 0 DCAERN O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000332759522 396891513 /nfs/dbraw/zinc/89/15/13/396891513.db2.gz UYCZHTWPWWVJMK-KFWWJZLASA-N 0 0 309.410 0.670 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C[C@@H](C)C1=O ZINC000618092471 396904025 /nfs/dbraw/zinc/90/40/25/396904025.db2.gz AFALTQCVEYUNDH-GMTAPVOTSA-N 0 0 302.396 0.094 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376412775 396924214 /nfs/dbraw/zinc/92/42/14/396924214.db2.gz SSCYQGMWJIDXCM-NWDGAFQWSA-N 0 0 323.393 0.925 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@@H]([C@@H]3CCCOC3)C2=O)[nH]n1 ZINC000570026073 396936975 /nfs/dbraw/zinc/93/69/75/396936975.db2.gz PONGTICURZCBPE-LOWVWBTDSA-N 0 0 306.366 0.996 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000337172851 396942084 /nfs/dbraw/zinc/94/20/84/396942084.db2.gz MIXTVHGXYOMRQI-HBNTYKKESA-N 0 0 303.380 0.221 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cccc2nsnc21 ZINC000625598187 396942295 /nfs/dbraw/zinc/94/22/95/396942295.db2.gz QIOBMMOXJRDCMG-APPZFPTMSA-N 0 0 315.376 0.119 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NC/C=C/S(C)(=O)=O)nc2n1 ZINC000618254242 396942310 /nfs/dbraw/zinc/94/23/10/396942310.db2.gz TZGXWFMFANWNHR-GQCTYLIASA-N 0 0 309.351 0.029 10 0 DCAERN CN1CCN(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000601008005 396989299 /nfs/dbraw/zinc/98/92/99/396989299.db2.gz XQONMZQVUBUYLD-OAHLLOKOSA-N 0 0 316.405 0.156 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000376936747 396998760 /nfs/dbraw/zinc/99/87/60/396998760.db2.gz FLDOQSGURVMBMR-ZIAGYGMSSA-N 0 0 304.346 0.913 10 0 DCAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)N1CCNC(=O)CC1 ZINC000112279348 304325964 /nfs/dbraw/zinc/32/59/64/304325964.db2.gz KRLJBARPRIYQKS-UONOGXRCSA-N 0 0 321.421 0.764 10 0 DCAERN CCOCn1nc(C)c(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C)c1C ZINC000630392561 397009215 /nfs/dbraw/zinc/00/92/15/397009215.db2.gz YDPYAVPBJJHPKK-SMDDNHRTSA-N 0 0 322.409 0.820 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1cccnc1 ZINC000618675088 397009524 /nfs/dbraw/zinc/00/95/24/397009524.db2.gz AYHUJVYMGDFSKU-VXGBXAGGSA-N 0 0 311.407 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncc(F)cc2F)CCN1S(C)(=O)=O ZINC000618677513 397011742 /nfs/dbraw/zinc/01/17/42/397011742.db2.gz MESQLXAQORMFTP-MRVPVSSYSA-N 0 0 319.333 0.466 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC=C(C)CC2)N(S(C)(=O)=O)C1 ZINC000377039182 397017554 /nfs/dbraw/zinc/01/75/54/397017554.db2.gz FMVVVGWKVMZJBV-NWDGAFQWSA-N 0 0 302.396 0.214 10 0 DCAERN Cc1noc([C@H]2CN(Cc3nnnn3C3CC3)C[C@@H](C)O2)n1 ZINC000625906021 397031421 /nfs/dbraw/zinc/03/14/21/397031421.db2.gz MUQZIVDXKIWKEP-LDYMZIIASA-N 0 0 305.342 0.661 10 0 DCAERN CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376795835 396979533 /nfs/dbraw/zinc/97/95/33/396979533.db2.gz HGHGQHXRLXHQDD-SNVBAGLBSA-N 0 0 314.386 0.418 10 0 DCAERN O=C(NCC(O)(C1CC1)C1CC1)[C@H]1CCCCS1(=O)=O ZINC000619030379 397066663 /nfs/dbraw/zinc/06/66/63/397066663.db2.gz KAOQVQOVRWHIPO-GFCCVEGCSA-N 0 0 301.408 0.621 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NCCOCC2CCC2)CC1 ZINC000572710377 397085445 /nfs/dbraw/zinc/08/54/45/397085445.db2.gz XYGKNBYYXPUFTD-UHFFFAOYSA-N 0 0 318.439 0.591 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)NC[C@@H]2CCC(=O)N2)cc1 ZINC000619142159 397089050 /nfs/dbraw/zinc/08/90/50/397089050.db2.gz JWPBMVWDBQIIOS-AWEZNQCLSA-N 0 0 318.373 0.982 10 0 DCAERN c1nnnn1Cc1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000350632293 397097922 /nfs/dbraw/zinc/09/79/22/397097922.db2.gz CHJINHRDEJFHET-UHFFFAOYSA-N 0 0 314.309 0.003 10 0 DCAERN COC(=O)[C@@H](NC(=O)CN1CCOCC1=O)c1ccccc1F ZINC000619221501 397099972 /nfs/dbraw/zinc/09/99/72/397099972.db2.gz ZGKCWHAMPFYVKD-AWEZNQCLSA-N 0 0 324.308 0.015 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000377599027 397109713 /nfs/dbraw/zinc/10/97/13/397109713.db2.gz CZUGNRADIXQCMM-ZDUSSCGKSA-N 0 0 318.373 0.843 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC000626233671 397117226 /nfs/dbraw/zinc/11/72/26/397117226.db2.gz CGYJDFOOLDNKIW-SECBINFHSA-N 0 0 313.398 0.280 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000364356704 397188387 /nfs/dbraw/zinc/18/83/87/397188387.db2.gz DMNIUTWLQRUFPI-CQSZACIVSA-N 0 0 308.353 0.920 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCN(CC)C1=O ZINC000619824883 397197944 /nfs/dbraw/zinc/19/79/44/397197944.db2.gz APBHCWRZIBMOMG-WDEREUQCSA-N 0 0 315.439 0.371 10 0 DCAERN C[C@]1(O)CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000378156497 397202082 /nfs/dbraw/zinc/20/20/82/397202082.db2.gz AQDUIYBYTXGVSK-INIZCTEOSA-N 0 0 304.346 0.933 10 0 DCAERN CC(=O)N(C)CC(=O)NC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000598520430 397241525 /nfs/dbraw/zinc/24/15/25/397241525.db2.gz CZYPBLVAWQEAFH-UHFFFAOYSA-N 0 0 314.382 0.472 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000378460099 397243614 /nfs/dbraw/zinc/24/36/14/397243614.db2.gz UWXYHUFMPKPZIL-NEPJUHHUSA-N 0 0 305.382 0.366 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC[C@H](C(=O)NC(C)C)C1)C(C)C ZINC000620409131 397267235 /nfs/dbraw/zinc/26/72/35/397267235.db2.gz WMILPTUKBZCZPH-KBPBESRZSA-N 0 0 311.426 0.910 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000385613947 397285342 /nfs/dbraw/zinc/28/53/42/397285342.db2.gz FTLFDAORTDVELB-ZDEQEGDKSA-N 0 0 306.428 0.433 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)[C@@H](C)O ZINC000386957790 397291869 /nfs/dbraw/zinc/29/18/69/397291869.db2.gz YOMBNZPVOTZVSK-BXKDBHETSA-N 0 0 300.380 0.484 10 0 DCAERN Cn1cc(Br)c(CNC[C@H](O)Cn2cccn2)n1 ZINC000393317088 397307756 /nfs/dbraw/zinc/30/77/56/397307756.db2.gz WSBWHECVPSYDRD-VIFPVBQESA-N 0 0 314.187 0.530 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000398577100 397313537 /nfs/dbraw/zinc/31/35/37/397313537.db2.gz RIFHROWOISHXMP-DDTOSNHZSA-N 0 0 300.424 0.964 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2[C@H](C)CCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365927897 397334949 /nfs/dbraw/zinc/33/49/49/397334949.db2.gz NXNMKWIQUSPJIB-QNWHQSFQSA-N 0 0 318.439 0.825 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)O1 ZINC000407959761 397337364 /nfs/dbraw/zinc/33/73/64/397337364.db2.gz SYZCFMHGJHEFRX-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000407965936 397339905 /nfs/dbraw/zinc/33/99/05/397339905.db2.gz MJNJEEPSQSVWLL-KGLIPLIRSA-N 0 0 323.418 0.522 10 0 DCAERN CO[C@@H](C)c1nsc(N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC000407973809 397342518 /nfs/dbraw/zinc/34/25/18/397342518.db2.gz BHPLEQJKLMFLNN-YUMQZZPRSA-N 0 0 306.413 0.503 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N1CCSC[C@@H]1CO ZINC000577573583 397342681 /nfs/dbraw/zinc/34/26/81/397342681.db2.gz MCFOUCOIRCEZCT-NSHDSACASA-N 0 0 320.374 0.209 10 0 DCAERN Cn1cccc1-c1nnc(N2CC[C@@H](N3CCOCC3)C2)n1C ZINC000407971530 397342686 /nfs/dbraw/zinc/34/26/86/397342686.db2.gz BSVZQDVDZYSYGU-CYBMUJFWSA-N 0 0 316.409 0.732 10 0 DCAERN C[C@@H](CC(=O)N1CC(=O)N(C)[C@H](C)C1)NC(=O)C1CCCC1 ZINC000407971919 397342725 /nfs/dbraw/zinc/34/27/25/397342725.db2.gz RJGZBUJBSKKNDA-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1=O ZINC000407972191 397342733 /nfs/dbraw/zinc/34/27/33/397342733.db2.gz SGXPAVJZTMZVKN-VXGBXAGGSA-N 0 0 309.410 0.713 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000366169547 397346536 /nfs/dbraw/zinc/34/65/36/397346536.db2.gz IMSWNIRLWAZQJV-FZMZJTMJSA-N 0 0 314.407 0.016 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NC[C@@]1(CCO)CCOC1 ZINC000408099734 397347463 /nfs/dbraw/zinc/34/74/63/397347463.db2.gz NILCKOVYXYTBCW-QWHCGFSZSA-N 0 0 306.428 0.484 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365793093 397317943 /nfs/dbraw/zinc/31/79/43/397317943.db2.gz DOOQYGXHVHRIRT-NEPJUHHUSA-N 0 0 317.455 0.399 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000369166074 397433480 /nfs/dbraw/zinc/43/34/80/397433480.db2.gz JXMPVHWIAVYANP-JQWIXIFHSA-N 0 0 318.333 0.405 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(n2)OCCO3)C1 ZINC000621479800 397389014 /nfs/dbraw/zinc/38/90/14/397389014.db2.gz GHDZGDLYYZYNCH-SNVBAGLBSA-N 0 0 306.322 0.595 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000621527236 397393463 /nfs/dbraw/zinc/39/34/63/397393463.db2.gz VMBLFMJKDMMUOX-JHJVBQTASA-N 0 0 315.414 0.064 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N2CCOCC[C@@H]2C)c1 ZINC000367644641 397406658 /nfs/dbraw/zinc/40/66/58/397406658.db2.gz LPAYJVSDLFYCNN-ZDUSSCGKSA-N 0 0 320.389 0.991 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccccc1F ZINC000487127331 397467176 /nfs/dbraw/zinc/46/71/76/397467176.db2.gz ADJRSTAAQAPPPB-GHMZBOCLSA-N 0 0 324.352 0.941 10 0 DCAERN CCCSCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000487124476 397467605 /nfs/dbraw/zinc/46/76/05/397467605.db2.gz ZWCLUKMBXWOEKP-ZJUUUORDSA-N 0 0 304.412 0.702 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3C[C@@H]4C[C@H]3C[S@]4=O)ccc21 ZINC000593866798 397461209 /nfs/dbraw/zinc/46/12/09/397461209.db2.gz ODYOOOUXSZQVEY-FBJOKTGGSA-N 0 0 318.398 0.941 10 0 DCAERN CCCCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000487334863 397469698 /nfs/dbraw/zinc/46/96/98/397469698.db2.gz MLHGZRCFDQRDKO-MNOVXSKESA-N 0 0 322.427 0.552 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000578675264 397470916 /nfs/dbraw/zinc/47/09/16/397470916.db2.gz XXPDDMOSKQDKLP-QWHCGFSZSA-N 0 0 309.410 0.223 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)[C@H](O)CCc2ccccc2)C1 ZINC000578778057 397484171 /nfs/dbraw/zinc/48/41/71/397484171.db2.gz GFDGAIHQKZHGET-JKSUJKDBSA-N 0 0 304.390 0.965 10 0 DCAERN CC(=O)NCCNC(=O)NCCCc1nnc2ccccn21 ZINC000489503392 397496398 /nfs/dbraw/zinc/49/63/98/397496398.db2.gz UKHNHVOSRYMUQT-UHFFFAOYSA-N 0 0 304.354 0.097 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](OC)C[C@H]2CO)s1 ZINC000602828944 397496644 /nfs/dbraw/zinc/49/66/44/397496644.db2.gz RINKSURIPVAAJX-UWVGGRQHSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000488281981 397487533 /nfs/dbraw/zinc/48/75/33/397487533.db2.gz JOJOOKPIKXIDFU-RKDXNWHRSA-N 0 0 323.349 0.738 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccnc1 ZINC000488252856 397487846 /nfs/dbraw/zinc/48/78/46/397487846.db2.gz UJAJXBNAKYKMRC-QWRGUYRKSA-N 0 0 307.350 0.197 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000370455447 397487943 /nfs/dbraw/zinc/48/79/43/397487943.db2.gz QRWAGNIWFBTVDR-BFVZDQMLSA-N 0 0 309.366 0.127 10 0 DCAERN Cn1cc(S(=O)(=O)NCCOCC2CCC2)cc1C(N)=O ZINC000578946374 397503915 /nfs/dbraw/zinc/50/39/15/397503915.db2.gz NAVSLDDUXBJURR-UHFFFAOYSA-N 0 0 315.395 0.219 10 0 DCAERN Cn1cc([C@@H](CO)NCC(=O)Nc2ccc3c(c2)OCO3)cn1 ZINC000494811310 397533171 /nfs/dbraw/zinc/53/31/71/397533171.db2.gz QLAZUBJMDZJMKC-GFCCVEGCSA-N 0 0 318.333 0.411 10 0 DCAERN CCN(C[C@H](O)COC[C@@H]1CCCO1)[C@H](C)CS(C)(=O)=O ZINC000602958868 397535100 /nfs/dbraw/zinc/53/51/00/397535100.db2.gz VCRXBDWMGNDHSM-RDBSUJKOSA-N 0 0 323.455 0.298 10 0 DCAERN O=C(CN1CCOCC1=O)NC[C@H]1SCCc2ccccc21 ZINC000579246584 397542833 /nfs/dbraw/zinc/54/28/33/397542833.db2.gz SXPXSNBBFOXHGT-CQSZACIVSA-N 0 0 320.414 0.992 10 0 DCAERN COC(=O)c1ccnc(N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 ZINC000603407948 397607575 /nfs/dbraw/zinc/60/75/75/397607575.db2.gz JLUBGWMBKRVQSQ-VHSXEESVSA-N 0 0 300.336 0.092 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CCC[C@H](n2cncn2)C1 ZINC000608143843 397718552 /nfs/dbraw/zinc/71/85/52/397718552.db2.gz NRQLDIPGBDYBJK-ZDUSSCGKSA-N 0 0 320.397 0.637 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)n1 ZINC000608246080 397723468 /nfs/dbraw/zinc/72/34/68/397723468.db2.gz BMOLPEATSXYKIU-FZMZJTMJSA-N 0 0 318.381 0.580 10 0 DCAERN C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)[C@@H]1CCOC1 ZINC000608421335 397729732 /nfs/dbraw/zinc/72/97/32/397729732.db2.gz XNDZGBIPYXQDMI-NWDGAFQWSA-N 0 0 319.427 0.136 10 0 DCAERN CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3nccn3c2)C1=O ZINC000606198564 397678381 /nfs/dbraw/zinc/67/83/81/397678381.db2.gz LHRKABUFMSBJRL-OAHLLOKOSA-N 0 0 315.333 0.993 10 0 DCAERN Cc1noc(CN2CCN(C(=O)Nc3cnc(C)nc3)CC2)n1 ZINC000606572015 397683865 /nfs/dbraw/zinc/68/38/65/397683865.db2.gz SGEOVEDBQBGHSW-UHFFFAOYSA-N 0 0 317.353 0.826 10 0 DCAERN c1cn(-c2cc(N3CCN(c4cccnn4)CC3)ncn2)cn1 ZINC000607145954 397697340 /nfs/dbraw/zinc/69/73/40/397697340.db2.gz HYIIQBVWVCNOSX-UHFFFAOYSA-N 0 0 308.349 0.779 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)N3CCN(C)C(=O)C3)nc2c1 ZINC000608742496 397752240 /nfs/dbraw/zinc/75/22/40/397752240.db2.gz KDLGLNZUKFEQSB-UHFFFAOYSA-N 0 0 301.350 0.855 10 0 DCAERN COc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nn1 ZINC000078189470 286273304 /nfs/dbraw/zinc/27/33/04/286273304.db2.gz PEPWKNUIEPMJPC-CYBMUJFWSA-N 0 0 320.393 0.812 10 0 DCAERN COCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCC1 ZINC000365122093 292287326 /nfs/dbraw/zinc/28/73/26/292287326.db2.gz QMMHFTLZDNUOCN-OAHLLOKOSA-N 0 0 309.366 0.394 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)C2(C(=O)NC)CC2)C12CCOCC2 ZINC000186450937 286524011 /nfs/dbraw/zinc/52/40/11/286524011.db2.gz BRNUGYMJHTVFSB-RYUDHWBXSA-N 0 0 310.394 0.603 10 0 DCAERN COCCCS(=O)(=O)N1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000376604071 292368809 /nfs/dbraw/zinc/36/88/09/292368809.db2.gz KXVAFBBYMRJFJO-WDEREUQCSA-N 0 0 309.384 0.005 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408210448 286648754 /nfs/dbraw/zinc/64/87/54/286648754.db2.gz HPKMEEQAJMLTMC-NWDGAFQWSA-N 0 0 320.455 0.523 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000042761981 157995391 /nfs/dbraw/zinc/99/53/91/157995391.db2.gz URPZNBUGHQABNF-JQWIXIFHSA-N 0 0 321.352 0.668 10 0 DCAERN CCOC(=O)CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046422875 158001503 /nfs/dbraw/zinc/00/15/03/158001503.db2.gz YFUHBFASESJKME-GFCCVEGCSA-N 0 0 306.366 0.905 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCN1CCOCC1 ZINC000047465906 158002766 /nfs/dbraw/zinc/00/27/66/158002766.db2.gz IWLXJIWEWADHOD-GFCCVEGCSA-N 0 0 309.366 0.236 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000048907194 158007958 /nfs/dbraw/zinc/00/79/58/158007958.db2.gz OLXRMKBMVUZFET-LBPRGKRZSA-N 0 0 300.428 0.800 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cscn2)C1=O ZINC000050408227 158011671 /nfs/dbraw/zinc/01/16/71/158011671.db2.gz PPPHKMGCOZFSNP-CYBMUJFWSA-N 0 0 308.363 0.480 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2cscn2)o1 ZINC000050683917 158011749 /nfs/dbraw/zinc/01/17/49/158011749.db2.gz ILNZEZXKGBUXCK-UHFFFAOYSA-N 0 0 301.349 0.574 10 0 DCAERN NC(=O)[C@@H]1CN(Cc2cc(Cl)cc3c2OCOC3)CCO1 ZINC000051131393 158013207 /nfs/dbraw/zinc/01/32/07/158013207.db2.gz LFGAXIBBMUEZRC-LBPRGKRZSA-N 0 0 312.753 0.893 10 0 DCAERN O=C(CN1CCNC(=O)CC1)Nc1cccc2nsnc21 ZINC000054258061 158019361 /nfs/dbraw/zinc/01/93/61/158019361.db2.gz RMZZCIJHNJQTBN-UHFFFAOYSA-N 0 0 305.363 0.452 10 0 DCAERN C[C@@H](NC(=O)CN(C)CCc1ccc(F)cc1)C(=O)N(C)C ZINC000055025158 158021276 /nfs/dbraw/zinc/02/12/76/158021276.db2.gz ONTRRTDIHHUJAP-GFCCVEGCSA-N 0 0 309.385 0.893 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000061510704 158028589 /nfs/dbraw/zinc/02/85/89/158028589.db2.gz KEKSFJSGLORFBZ-LLVKDONJSA-N 0 0 306.366 0.837 10 0 DCAERN CCCNC(=O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000060943116 158028833 /nfs/dbraw/zinc/02/88/33/158028833.db2.gz KOZWMDIGFAWFNA-CQSZACIVSA-N 0 0 324.469 0.578 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000063768607 158030800 /nfs/dbraw/zinc/03/08/00/158030800.db2.gz QSZMOVGMTLFSGN-PWSUYJOCSA-N 0 0 324.402 0.816 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000063768605 158031824 /nfs/dbraw/zinc/03/18/24/158031824.db2.gz PENBYGKSTXAHLA-GWCFXTLKSA-N 0 0 318.377 0.581 10 0 DCAERN O=C(CCn1cnc2ccccc2c1=O)N1CCNC(=O)CC1 ZINC000065902868 158034000 /nfs/dbraw/zinc/03/40/00/158034000.db2.gz VLZVQJCOBWSWDN-UHFFFAOYSA-N 0 0 314.345 0.135 10 0 DCAERN Cn1c(SC[C@H](O)CN2CCOCC2)nnc1-c1ccco1 ZINC000066239198 158035680 /nfs/dbraw/zinc/03/56/80/158035680.db2.gz SUDPNCHPUWOVGT-LLVKDONJSA-N 0 0 324.406 0.860 10 0 DCAERN CCn1c(SC[C@@H](O)CN2CCOCC2)nnc1C1CC1 ZINC000066401280 158036743 /nfs/dbraw/zinc/03/67/43/158036743.db2.gz DHUAKGRSMIJGSI-LBPRGKRZSA-N 0 0 312.439 0.961 10 0 DCAERN COC(=O)[C@@H](C)CN(C)C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000068083344 158040359 /nfs/dbraw/zinc/04/03/59/158040359.db2.gz RHPQIZLHGUTTEK-NSHDSACASA-N 0 0 324.381 0.039 10 0 DCAERN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069145312 158045351 /nfs/dbraw/zinc/04/53/51/158045351.db2.gz PAQZQADTBVLXJB-SECBINFHSA-N 0 0 305.377 0.248 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N(CC(N)=O)C(C)C)c1ccccc1 ZINC000070690023 158047970 /nfs/dbraw/zinc/04/79/70/158047970.db2.gz QRBSJRMRSKKZON-AWEZNQCLSA-N 0 0 305.378 0.976 10 0 DCAERN CCOc1ccccc1N1CCN(C(=O)CNC(N)=O)CC1 ZINC000072525357 158050302 /nfs/dbraw/zinc/05/03/02/158050302.db2.gz QMSDXLJPJKLNRV-UHFFFAOYSA-N 0 0 306.366 0.402 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)NCCC(N)=O)CC2)nc1 ZINC000073602136 158055188 /nfs/dbraw/zinc/05/51/88/158055188.db2.gz SSYONRHQJCMCHJ-UHFFFAOYSA-N 0 0 305.382 0.533 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000074685056 158060077 /nfs/dbraw/zinc/06/00/77/158060077.db2.gz LFAJZFOWDDDKDK-SMDDNHRTSA-N 0 0 303.362 0.823 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000077153134 158066320 /nfs/dbraw/zinc/06/63/20/158066320.db2.gz ADJWOXFKGZAFSX-UKRRQHHQSA-N 0 0 315.377 0.872 10 0 DCAERN NC(=O)c1cccc(CNC(=O)Cn2c3ccccc3[nH]c2=O)c1 ZINC000076876668 158066671 /nfs/dbraw/zinc/06/66/71/158066671.db2.gz QZSBNSSEYVSVMK-UHFFFAOYSA-N 0 0 324.340 0.745 10 0 DCAERN CCOC(=O)CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000078297464 158071602 /nfs/dbraw/zinc/07/16/02/158071602.db2.gz QLBMDGQRPCHNOG-UHFFFAOYSA-N 0 0 302.325 0.959 10 0 DCAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccoc2)CC1)C(N)=O ZINC000078705612 158074500 /nfs/dbraw/zinc/07/45/00/158074500.db2.gz LGXLIMSOXGDYHN-UHFFFAOYSA-N 0 0 321.377 0.760 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000081579055 158085259 /nfs/dbraw/zinc/08/52/59/158085259.db2.gz RWFBPIZADOOPCR-WDEREUQCSA-N 0 0 312.395 0.362 10 0 DCAERN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC1(C)COC1 ZINC000083521806 158087005 /nfs/dbraw/zinc/08/70/05/158087005.db2.gz TWDIFADEDBHQEY-JTQLQIEISA-N 0 0 324.468 0.200 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083734038 158088060 /nfs/dbraw/zinc/08/80/60/158088060.db2.gz YBPQCVHKCJZIKI-DVVUODLYSA-N 0 0 313.427 0.833 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084880218 158088874 /nfs/dbraw/zinc/08/88/74/158088874.db2.gz ZJLPTNCMSAYQKG-CABZTGNLSA-N 0 0 301.412 0.651 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCC(=O)NC1CCCCC1 ZINC000087219393 158091445 /nfs/dbraw/zinc/09/14/45/158091445.db2.gz DUJNSSDPDJIVQF-UHFFFAOYSA-N 0 0 306.366 0.303 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000086448274 158091766 /nfs/dbraw/zinc/09/17/66/158091766.db2.gz ACYGEFFUKITNMO-LLVKDONJSA-N 0 0 314.349 0.859 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c1 ZINC000089165404 158095746 /nfs/dbraw/zinc/09/57/46/158095746.db2.gz VOWXCKVAIDNMIU-DGCLKSJQSA-N 0 0 313.375 0.913 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1OC ZINC000089666493 158098364 /nfs/dbraw/zinc/09/83/64/158098364.db2.gz XXHLNPNRZODFRM-UHFFFAOYSA-N 0 0 313.375 0.849 10 0 DCAERN NCc1nc(C(=O)Nc2cccc(OCC(N)=O)c2)cs1 ZINC000090930578 158104512 /nfs/dbraw/zinc/10/45/12/158104512.db2.gz ORTXJCATVLYUHO-UHFFFAOYSA-N 0 0 306.347 0.718 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCNC(=O)C(C)C)cnc12 ZINC000090996238 158105884 /nfs/dbraw/zinc/10/58/84/158105884.db2.gz ITBYTTSTQUDBGL-UHFFFAOYSA-N 0 0 316.361 0.505 10 0 DCAERN CCCN(CC(=O)NC)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091027489 158106245 /nfs/dbraw/zinc/10/62/45/158106245.db2.gz MQMXIXPJXANPIW-UHFFFAOYSA-N 0 0 316.361 0.601 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C)CC(=O)NC3CC3)cnc12 ZINC000090997296 158106307 /nfs/dbraw/zinc/10/63/07/158106307.db2.gz CZJXQYAMQBSTMF-UHFFFAOYSA-N 0 0 314.345 0.354 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000091235808 158107949 /nfs/dbraw/zinc/10/79/49/158107949.db2.gz ASFKJYIBRFGNDO-GFCCVEGCSA-N 0 0 308.382 0.714 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCN(CCOC)C(=O)C1 ZINC000092096045 158110816 /nfs/dbraw/zinc/11/08/16/158110816.db2.gz ZKXKHDMYVNKOLK-UHFFFAOYSA-N 0 0 310.354 0.868 10 0 DCAERN CN1CCN(C(=O)CC2CCN(Cc3c[nH]cn3)CC2)CC1 ZINC000093142580 158118785 /nfs/dbraw/zinc/11/87/85/158118785.db2.gz IYAZLQWLCADLIE-UHFFFAOYSA-N 0 0 305.426 0.786 10 0 DCAERN NS(=O)(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000098037523 158125530 /nfs/dbraw/zinc/12/55/30/158125530.db2.gz GSAKAEWDGVMXRA-UHFFFAOYSA-N 0 0 304.416 0.286 10 0 DCAERN COC(=O)NCC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280845 158128339 /nfs/dbraw/zinc/12/83/39/158128339.db2.gz OZZPSNASIYWTJG-GFCCVEGCSA-N 0 0 303.322 0.675 10 0 DCAERN Cc1ccccc1C1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC1 ZINC000110685479 158137871 /nfs/dbraw/zinc/13/78/71/158137871.db2.gz BOLDPVWZCJMQMF-UHFFFAOYSA-N 0 0 323.418 0.374 10 0 DCAERN Cc1cc(NCCN2C(=O)CNC2=O)nc(-c2ccncc2)n1 ZINC000113247696 158145120 /nfs/dbraw/zinc/14/51/20/158145120.db2.gz XVRDJYRPOKQOPQ-UHFFFAOYSA-N 0 0 312.333 0.811 10 0 DCAERN CCCC(=O)NCC(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000114156823 158150495 /nfs/dbraw/zinc/15/04/95/158150495.db2.gz IGGUWGLSYYWNPK-UHFFFAOYSA-N 0 0 319.365 0.172 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)Nc2nnc3n(C)[nH]c(C)c2-3)C1 ZINC000114429689 158153393 /nfs/dbraw/zinc/15/33/93/158153393.db2.gz NMCMTPFCVMRJNT-SNVBAGLBSA-N 0 0 304.354 0.802 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)NCc2cccnc2N(C)C)C1=O ZINC000114783735 158156541 /nfs/dbraw/zinc/15/65/41/158156541.db2.gz FTMBRNMDPUPNCP-CYBMUJFWSA-N 0 0 319.409 0.956 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCCCCNC(C)=O)CC2 ZINC000114863092 158157579 /nfs/dbraw/zinc/15/75/79/158157579.db2.gz QTNYKYWGNVHCJG-CYBMUJFWSA-N 0 0 321.425 0.968 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000114836793 158158222 /nfs/dbraw/zinc/15/82/22/158158222.db2.gz RYHBLFBJEBXUPA-OLZOCXBDSA-N 0 0 324.425 0.696 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CSc1nncn1C)CC2 ZINC000114870928 158159210 /nfs/dbraw/zinc/15/92/10/158159210.db2.gz MYWLJIYLDYXXFU-SECBINFHSA-N 0 0 321.410 0.192 10 0 DCAERN CCCNC(=O)CCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114871556 158159290 /nfs/dbraw/zinc/15/92/90/158159290.db2.gz VTNYXKSPJJPBSO-LBPRGKRZSA-N 0 0 321.425 0.968 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccnc(C)n1)CC2 ZINC000114938729 158160591 /nfs/dbraw/zinc/16/05/91/158160591.db2.gz NPSDRIZTYBCKDH-LBPRGKRZSA-N 0 0 315.381 0.753 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116113498 158163980 /nfs/dbraw/zinc/16/39/80/158163980.db2.gz DCZNUVVXKXMAIM-YPMHNXCESA-N 0 0 308.407 0.657 10 0 DCAERN C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889546 158167509 /nfs/dbraw/zinc/16/75/09/158167509.db2.gz IDEOBIIKEOCCFO-WPRPVWTQSA-N 0 0 300.384 0.632 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892458 158169020 /nfs/dbraw/zinc/16/90/20/158169020.db2.gz XPBJLGINLHDZKL-AGIUHOORSA-N 0 0 317.455 0.305 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)[C@@H](C)COC)CCN1CCOC ZINC000117925420 158174575 /nfs/dbraw/zinc/17/45/75/158174575.db2.gz NFOCWNNJPNLGBL-QWHCGFSZSA-N 0 0 308.444 0.394 10 0 DCAERN Cc1cccc(CCNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000118783055 158179504 /nfs/dbraw/zinc/17/95/04/158179504.db2.gz PCBMJRIDIFFUFZ-UHFFFAOYSA-N 0 0 303.362 0.984 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000119992149 158191755 /nfs/dbraw/zinc/19/17/55/158191755.db2.gz YEDKTUFFBAUDGX-IINYFYTJSA-N 0 0 309.391 0.898 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000179558850 286673369 /nfs/dbraw/zinc/67/33/69/286673369.db2.gz WGLKJLAMKDXMRD-JQWIXIFHSA-N 0 0 312.391 0.607 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000120365829 158197438 /nfs/dbraw/zinc/19/74/38/158197438.db2.gz LYHSEKVRLYQXHP-OLZOCXBDSA-N 0 0 302.330 0.505 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CCC(n2cncn2)CC1 ZINC000120369450 158198398 /nfs/dbraw/zinc/19/83/98/158198398.db2.gz ZPFSXMIXHLUFKW-UHFFFAOYSA-N 0 0 307.398 0.994 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)CCC1=O ZINC000120491251 158198677 /nfs/dbraw/zinc/19/86/77/158198677.db2.gz BSUPWDUUOPRFSR-VIFPVBQESA-N 0 0 311.288 0.640 10 0 DCAERN Cc1cc(CC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n[nH]1 ZINC000120494351 158198645 /nfs/dbraw/zinc/19/86/45/158198645.db2.gz OPIFVBVEQFPPIH-GFCCVEGCSA-N 0 0 302.382 0.779 10 0 DCAERN CC(C)[C@@H](C(=O)NCCCN1CCCC1=O)N1CCCC1=O ZINC000121074895 158206770 /nfs/dbraw/zinc/20/67/70/158206770.db2.gz ASLIIIWAHVHMEX-HNNXBMFYSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(NCC(F)F)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000121035145 158206782 /nfs/dbraw/zinc/20/67/82/158206782.db2.gz BYWWATFWWTWLKT-SECBINFHSA-N 0 0 311.354 0.461 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)C(F)(F)C2(O)CCC2)n1 ZINC000121006189 158206880 /nfs/dbraw/zinc/20/68/80/158206880.db2.gz XUSFEBWTVOBVJI-SECBINFHSA-N 0 0 317.292 0.828 10 0 DCAERN CCN(CCCNC(=O)[C@@H](C)C1CCOCC1)S(C)(=O)=O ZINC000121543566 158211693 /nfs/dbraw/zinc/21/16/93/158211693.db2.gz HIZZVMWVRWKXPG-LBPRGKRZSA-N 0 0 320.455 0.837 10 0 DCAERN Nc1nc(N)nc(CN2CCO[C@@H](c3cccc(O)c3)C2)n1 ZINC000121591680 158212692 /nfs/dbraw/zinc/21/26/92/158212692.db2.gz DXFWDTKQKZGIGS-LLVKDONJSA-N 0 0 302.338 0.315 10 0 DCAERN CN(C(=O)Cn1cccn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122357088 158221053 /nfs/dbraw/zinc/22/10/53/158221053.db2.gz ACEFOCFBHUGZTL-CYBMUJFWSA-N 0 0 300.366 0.801 10 0 DCAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCNC(=O)C1 ZINC000122734172 158224189 /nfs/dbraw/zinc/22/41/89/158224189.db2.gz SJDCEQUAZNTKRE-KOLCDFICSA-N 0 0 319.336 0.992 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000123336085 158229691 /nfs/dbraw/zinc/22/96/91/158229691.db2.gz NBOAYSBFJGFINF-NWDGAFQWSA-N 0 0 305.382 0.574 10 0 DCAERN CC(C)(C(=O)NCCNS(C)(=O)=O)c1ccccc1F ZINC000124122098 158238787 /nfs/dbraw/zinc/23/87/87/158238787.db2.gz WNXUVYKJFJAVOF-UHFFFAOYSA-N 0 0 302.371 0.769 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000124270640 158239828 /nfs/dbraw/zinc/23/98/28/158239828.db2.gz PTMIOMJHGBMTKA-UHFFFAOYSA-N 0 0 323.780 0.761 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000125056106 158250159 /nfs/dbraw/zinc/25/01/59/158250159.db2.gz HEXALRZOCIWVBM-CYBMUJFWSA-N 0 0 304.394 0.916 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCN1CC(F)F ZINC000125887251 158261135 /nfs/dbraw/zinc/26/11/35/158261135.db2.gz NVWAEWGLQARXLC-ZJUUUORDSA-N 0 0 312.382 0.607 10 0 DCAERN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCNC(=O)CC1 ZINC000126185931 158263613 /nfs/dbraw/zinc/26/36/13/158263613.db2.gz OCMDGNYONACVGJ-NSHDSACASA-N 0 0 307.419 0.843 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc[nH]c(=O)c1 ZINC000127074016 158270268 /nfs/dbraw/zinc/27/02/68/158270268.db2.gz KWBIGIFJBVMXNZ-JTQLQIEISA-N 0 0 303.322 0.378 10 0 DCAERN CSc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000129078377 158284468 /nfs/dbraw/zinc/28/44/68/158284468.db2.gz QVDJNMMZBOHKJW-CYBMUJFWSA-N 0 0 310.419 0.831 10 0 DCAERN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CCC(OCCO)CC1 ZINC000129230284 158286499 /nfs/dbraw/zinc/28/64/99/158286499.db2.gz WGOPKRRMSPAJOU-ZYHUDNBSSA-N 0 0 301.387 0.069 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)OC(C)(C)C ZINC000129307697 158287819 /nfs/dbraw/zinc/28/78/19/158287819.db2.gz YLQLFQKXBRGZAF-MXWKQRLJSA-N 0 0 322.427 0.660 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000131222550 158301030 /nfs/dbraw/zinc/30/10/30/158301030.db2.gz VFKPQOXINUAUOF-ZJUUUORDSA-N 0 0 320.436 0.550 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131570206 158303422 /nfs/dbraw/zinc/30/34/22/158303422.db2.gz LUUHQTNRYWOHAR-UHFFFAOYSA-N 0 0 316.361 0.992 10 0 DCAERN C[C@@H](C(=O)Nc1cnc(Br)cn1)S(C)(=O)=O ZINC000132995525 158315224 /nfs/dbraw/zinc/31/52/24/158315224.db2.gz HXJTVHNDRVBWOX-YFKPBYRVSA-N 0 0 308.157 0.611 10 0 DCAERN CN1C[C@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1=O ZINC000135419365 158336253 /nfs/dbraw/zinc/33/62/53/158336253.db2.gz ADOXYJOYOJFYAM-OCCSQVGLSA-N 0 0 304.346 0.770 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@H](C(N)=O)C(C)C ZINC000135541159 158337512 /nfs/dbraw/zinc/33/75/12/158337512.db2.gz NVZSQOXYZLQFAI-ZDUSSCGKSA-N 0 0 309.414 0.779 10 0 DCAERN Nc1nccnc1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135481437 158337823 /nfs/dbraw/zinc/33/78/23/158337823.db2.gz PNKYOJVOHLHLFQ-GFCCVEGCSA-N 0 0 300.318 0.978 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)n(C)n1 ZINC000135779498 158339893 /nfs/dbraw/zinc/33/98/93/158339893.db2.gz INZDQDLSVNBDFJ-SNVBAGLBSA-N 0 0 316.365 0.628 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000136123815 158340955 /nfs/dbraw/zinc/34/09/55/158340955.db2.gz GXFDHPDEMYXXHL-AWEZNQCLSA-N 0 0 320.455 0.397 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000136993831 158343836 /nfs/dbraw/zinc/34/38/36/158343836.db2.gz ODUBANCAAIXCNX-ZDUSSCGKSA-N 0 0 321.425 0.863 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C(=O)N1CCCCC1 ZINC000153429913 158349953 /nfs/dbraw/zinc/34/99/53/158349953.db2.gz PXIOTZJROOGCIT-RYUDHWBXSA-N 0 0 320.397 0.293 10 0 DCAERN CCc1ncsc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000161549939 158357553 /nfs/dbraw/zinc/35/75/53/158357553.db2.gz VSLAHDNIAMZSIH-CQSZACIVSA-N 0 0 313.423 0.519 10 0 DCAERN COCCn1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000163076863 158361829 /nfs/dbraw/zinc/36/18/29/158361829.db2.gz LVHIYJRTGNMDJE-WDEREUQCSA-N 0 0 309.370 0.695 10 0 DCAERN Nc1c(NC[C@@H]2CN(C3CC3)CCO2)ncnc1-n1cccn1 ZINC000163103623 158361836 /nfs/dbraw/zinc/36/18/36/158361836.db2.gz HBFKQIZYCLAVJI-GFCCVEGCSA-N 0 0 315.381 0.520 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)[C@H]2COCCN2)cn1 ZINC000164804987 158363265 /nfs/dbraw/zinc/36/32/65/158363265.db2.gz MCGNEAUYRLBMTF-CYBMUJFWSA-N 0 0 301.350 0.180 10 0 DCAERN Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccn1 ZINC000170234215 158373706 /nfs/dbraw/zinc/37/37/06/158373706.db2.gz VARGFTMPPQTSCQ-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000171100397 158380403 /nfs/dbraw/zinc/38/04/03/158380403.db2.gz RCPGJHZMRZLIRX-LBPRGKRZSA-N 0 0 306.428 0.038 10 0 DCAERN COC(C)(C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000171588595 158383943 /nfs/dbraw/zinc/38/39/43/158383943.db2.gz FZFOEDHNKLXPOR-UHFFFAOYSA-N 0 0 324.381 0.491 10 0 DCAERN CCOCCS(=O)(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000171645332 158385600 /nfs/dbraw/zinc/38/56/00/158385600.db2.gz LQTBRQAASUONBX-GFCCVEGCSA-N 0 0 316.427 0.844 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000171690793 158385781 /nfs/dbraw/zinc/38/57/81/158385781.db2.gz JJULPNXIGYUUIN-VXGBXAGGSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000171743932 158386255 /nfs/dbraw/zinc/38/62/55/158386255.db2.gz RMHNTAZNDSTOPG-SECBINFHSA-N 0 0 313.304 0.874 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)COCC3CC3)CC2)no1 ZINC000171758944 158386755 /nfs/dbraw/zinc/38/67/55/158386755.db2.gz HCDBBCGHAGYTRC-UHFFFAOYSA-N 0 0 308.382 0.839 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000171934008 158388318 /nfs/dbraw/zinc/38/83/18/158388318.db2.gz AQZUMKAKXNYQTO-NEPJUHHUSA-N 0 0 314.288 0.512 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CCc2n[nH]cc2C1 ZINC000172217970 158391800 /nfs/dbraw/zinc/39/18/00/158391800.db2.gz BBSQRDIURUUPRE-NSHDSACASA-N 0 0 311.345 0.726 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1COCCO1 ZINC000172232063 158391853 /nfs/dbraw/zinc/39/18/53/158391853.db2.gz ZSADDVAVYQYQIX-LBPRGKRZSA-N 0 0 311.407 0.817 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172439201 158393893 /nfs/dbraw/zinc/39/38/93/158393893.db2.gz CSXGUKXLJNQGLR-MNOVXSKESA-N 0 0 304.412 0.218 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@H]1Cc2ccccc2O1 ZINC000172354107 158394045 /nfs/dbraw/zinc/39/40/45/158394045.db2.gz OHRKPPYYSWTHMD-GDBMZVCRSA-N 0 0 302.374 0.970 10 0 DCAERN NC(=O)CC[C@@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172536373 158395643 /nfs/dbraw/zinc/39/56/43/158395643.db2.gz MXHKOFFRFWXLIJ-LBPRGKRZSA-N 0 0 318.377 0.316 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000172573159 158395774 /nfs/dbraw/zinc/39/57/74/158395774.db2.gz JLMOOCTVECOMCE-WDEREUQCSA-N 0 0 306.366 0.934 10 0 DCAERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)N[C@@H]1CCc2ncnn2C1 ZINC000172605143 158396840 /nfs/dbraw/zinc/39/68/40/158396840.db2.gz WSACTSNPWHDPQR-KYOSRNDESA-N 0 0 313.361 0.550 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172755680 158398893 /nfs/dbraw/zinc/39/88/93/158398893.db2.gz IRMILCBKWMNBNM-AWEZNQCLSA-N 0 0 311.426 0.616 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745166 158399006 /nfs/dbraw/zinc/39/90/06/158399006.db2.gz VEELEMSSTDUKOH-CHWSQXEVSA-N 0 0 321.377 0.331 10 0 DCAERN NC(=O)CCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000172797360 158399705 /nfs/dbraw/zinc/39/97/05/158399705.db2.gz UUZVDCOZWVJKQJ-RYUDHWBXSA-N 0 0 304.346 0.943 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000173027616 158402233 /nfs/dbraw/zinc/40/22/33/158402233.db2.gz XKXWIRANACRVIP-NWDGAFQWSA-N 0 0 318.439 0.717 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)CC2CCOCC2)C1 ZINC000173187947 158404062 /nfs/dbraw/zinc/40/40/62/158404062.db2.gz XOTFIWJIDLDNNR-NEPJUHHUSA-N 0 0 304.412 0.377 10 0 DCAERN CCOCCS(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173477500 158406563 /nfs/dbraw/zinc/40/65/63/158406563.db2.gz VUXAHMRLHMBQOU-SNVBAGLBSA-N 0 0 303.428 0.924 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000175170497 158424109 /nfs/dbraw/zinc/42/41/09/158424109.db2.gz QCBAMBCPTRZPPN-LBPRGKRZSA-N 0 0 302.400 0.670 10 0 DCAERN NC(=O)c1ccc(CNC(=O)c2cccc(-n3cncn3)c2)o1 ZINC000175748971 158429296 /nfs/dbraw/zinc/42/92/96/158429296.db2.gz AWVCZLLBQNODGX-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CC(C)OC(=O)[C@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177339493 158446672 /nfs/dbraw/zinc/44/66/72/158446672.db2.gz YRTAPOQDGYYPKH-GHMZBOCLSA-N 0 0 309.370 1.000 10 0 DCAERN CCC[C@@](C)(O)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178524127 158459081 /nfs/dbraw/zinc/45/90/81/158459081.db2.gz LDKCTEAUNKJCDF-MLGOLLRUSA-N 0 0 322.409 0.891 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(C)C ZINC000178583988 158459154 /nfs/dbraw/zinc/45/91/54/158459154.db2.gz FXKZWPDWIGPZNA-LBPRGKRZSA-N 0 0 303.366 0.711 10 0 DCAERN CC[C@@H](NC(=O)N1CCO[C@@H](C(=O)NC)C1)c1nccs1 ZINC000182676344 158493616 /nfs/dbraw/zinc/49/36/16/158493616.db2.gz VNILVPKDWRBKJA-NXEZZACHSA-N 0 0 312.395 0.751 10 0 DCAERN CC[C@@](C)(CO)NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000183347270 158498827 /nfs/dbraw/zinc/49/88/27/158498827.db2.gz AORFCEAUGMUSFA-INIZCTEOSA-N 0 0 322.409 0.979 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000185148551 158515336 /nfs/dbraw/zinc/51/53/36/158515336.db2.gz KSJHEFGZVMPPNT-GFCCVEGCSA-N 0 0 309.366 0.214 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCCCc1c(C)nn(C)c1C ZINC000185169079 158516307 /nfs/dbraw/zinc/51/63/07/158516307.db2.gz NYPQSEVILFWKHB-UHFFFAOYSA-N 0 0 309.414 0.747 10 0 DCAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CC(=O)NC ZINC000185569331 158522641 /nfs/dbraw/zinc/52/26/41/158522641.db2.gz BSIUUWRJHLNNFL-ZDUSSCGKSA-N 0 0 306.362 0.755 10 0 DCAERN CN1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1=O ZINC000188160765 158543173 /nfs/dbraw/zinc/54/31/73/158543173.db2.gz NYTSLIRRCZBWPF-UHFFFAOYSA-N 0 0 314.349 0.031 10 0 DCAERN CCn1cc([C@H]2CN(S(=O)(=O)CCCOC)CCO2)cn1 ZINC000189222784 158550311 /nfs/dbraw/zinc/55/03/11/158550311.db2.gz NSEGZEPDFLKPAI-CYBMUJFWSA-N 0 0 317.411 0.643 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCc3ccnn3C)CC2)n[nH]1 ZINC000189663755 158554477 /nfs/dbraw/zinc/55/44/77/158554477.db2.gz WZBVAJJXANAPNT-UHFFFAOYSA-N 0 0 303.370 0.483 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)n[nH]1 ZINC000189754805 158555084 /nfs/dbraw/zinc/55/50/84/158555084.db2.gz VUKOVCCPTNQDJG-UHFFFAOYSA-N 0 0 313.361 0.779 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCCN(C)C(=O)C1)c1ccccc1 ZINC000189750659 158555172 /nfs/dbraw/zinc/55/51/72/158555172.db2.gz LPGUJFGXRDQDES-HNNXBMFYSA-N 0 0 317.389 0.945 10 0 DCAERN CN1CCCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1=O ZINC000189757266 158555241 /nfs/dbraw/zinc/55/52/41/158555241.db2.gz IVBOYYFHOOECOK-UHFFFAOYSA-N 0 0 302.334 0.020 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190175298 158557907 /nfs/dbraw/zinc/55/79/07/158557907.db2.gz NOXXHHJKYDFWEP-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190286919 158558570 /nfs/dbraw/zinc/55/85/70/158558570.db2.gz CDNJXMLGTAHYDH-SKDRFNHKSA-N 0 0 312.391 0.824 10 0 DCAERN CCOCc1ccc(CNC(=O)CN2CC(=O)N(CC)C2)cc1 ZINC000191560661 158569125 /nfs/dbraw/zinc/56/91/25/158569125.db2.gz XVEUDORDGWGEJQ-UHFFFAOYSA-N 0 0 319.405 0.961 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cccc3c2OC(C)(C)C3)C1 ZINC000192652163 158576231 /nfs/dbraw/zinc/57/62/31/158576231.db2.gz ZGUQMRVGHKJKSW-UHFFFAOYSA-N 0 0 324.402 0.909 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@@H](C)OC ZINC000192929392 158578586 /nfs/dbraw/zinc/57/85/86/158578586.db2.gz GLHZFJQJLRBUJS-ZJUUUORDSA-N 0 0 302.400 0.630 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000194011355 158592803 /nfs/dbraw/zinc/59/28/03/158592803.db2.gz GPSKELFSAXNBID-SNVBAGLBSA-N 0 0 312.395 0.671 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)c1nnc2n1CCCC2 ZINC000248672966 158695237 /nfs/dbraw/zinc/69/52/37/158695237.db2.gz BWYJMEASQLYXKU-WDEREUQCSA-N 0 0 313.427 0.994 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CC(F)(F)CN1 ZINC000262954710 158850009 /nfs/dbraw/zinc/85/00/09/158850009.db2.gz KBWGZGYBDUUIGG-NSHDSACASA-N 0 0 307.304 0.881 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000285406168 158964972 /nfs/dbraw/zinc/96/49/72/158964972.db2.gz HEROEDUYHHZQFP-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000328602839 159014007 /nfs/dbraw/zinc/01/40/07/159014007.db2.gz HGIFLDCNWIPFEO-OLZOCXBDSA-N 0 0 315.439 0.152 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611201 159014707 /nfs/dbraw/zinc/01/47/07/159014707.db2.gz OIBIVCZDEJFYEZ-CABCVRRESA-N 0 0 319.409 0.359 10 0 DCAERN CN1CC[C@H](C(=O)N2CCN[C@@H](c3cccnc3)C2)CC1=O ZINC000328636328 159016462 /nfs/dbraw/zinc/01/64/62/159016462.db2.gz AGEITGREZQRHJA-GXTWGEPZSA-N 0 0 302.378 0.423 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)[nH]1 ZINC000328664592 159018885 /nfs/dbraw/zinc/01/88/85/159018885.db2.gz BVMVLPIOZFPQDR-DGCLKSJQSA-N 0 0 307.398 0.887 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328662879 159018897 /nfs/dbraw/zinc/01/88/97/159018897.db2.gz XPNUFNDKOLMIQX-GHMZBOCLSA-N 0 0 302.396 0.921 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328686600 159021593 /nfs/dbraw/zinc/02/15/93/159021593.db2.gz YIGCAMFTHXUMJJ-MNOVXSKESA-N 0 0 317.411 0.426 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)Cn3cccnc3=O)C2)[nH]n1 ZINC000328758237 159026916 /nfs/dbraw/zinc/02/69/16/159026916.db2.gz VPUROPHZKRXKAL-GFCCVEGCSA-N 0 0 301.350 0.681 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000328857362 159034923 /nfs/dbraw/zinc/03/49/23/159034923.db2.gz XVEKPGJXWYWHBF-HZSPNIEDSA-N 0 0 317.455 0.368 10 0 DCAERN Cn1cnnc1COCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328912355 159040820 /nfs/dbraw/zinc/04/08/20/159040820.db2.gz HFANOWPBWQWMDD-SWLSCSKDSA-N 0 0 308.382 0.485 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]21 ZINC000328945779 159044812 /nfs/dbraw/zinc/04/48/12/159044812.db2.gz JTQLROVUVVOPIA-MRVWCRGKSA-N 0 0 320.393 0.459 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000328987132 159049926 /nfs/dbraw/zinc/04/99/26/159049926.db2.gz BZWWRUQNUDBFNV-RYUDHWBXSA-N 0 0 307.398 0.089 10 0 DCAERN O=S(=O)(NC[C@H]1CN(C2CC2)CCO1)c1ccsc1 ZINC000329034622 159053794 /nfs/dbraw/zinc/05/37/94/159053794.db2.gz YHIIQOQSZRXKFX-NSHDSACASA-N 0 0 302.421 0.890 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2cnccn2)C[C@H](C)O1 ZINC000329132012 159065224 /nfs/dbraw/zinc/06/52/24/159065224.db2.gz YDDFDVYZSONTJM-RYUDHWBXSA-N 0 0 314.411 0.305 10 0 DCAERN Cc1cc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)nn1C(C)(C)C ZINC000329150671 159067000 /nfs/dbraw/zinc/06/70/00/159067000.db2.gz ZRUQBASYCFAOBW-QWHCGFSZSA-N 0 0 318.381 0.908 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329158170 159068538 /nfs/dbraw/zinc/06/85/38/159068538.db2.gz CRRPFPXTKLHWRG-NILFDRSVSA-N 0 0 316.361 0.731 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329194702 159072580 /nfs/dbraw/zinc/07/25/80/159072580.db2.gz SBGZAULACBQMIL-JTQLQIEISA-N 0 0 320.353 0.440 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329198838 159072831 /nfs/dbraw/zinc/07/28/31/159072831.db2.gz WSIUZVQGMVYQCM-WDEREUQCSA-N 0 0 316.365 0.579 10 0 DCAERN CC1CCN(S(=O)(=O)NCc2ccnc3ccnn32)CC1 ZINC000329238873 159075856 /nfs/dbraw/zinc/07/58/56/159075856.db2.gz LMMXWRJXJXIQIV-UHFFFAOYSA-N 0 0 309.395 0.796 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000329306807 159081597 /nfs/dbraw/zinc/08/15/97/159081597.db2.gz BHCXPAZRTWUDEG-CYBMUJFWSA-N 0 0 308.382 0.107 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329318946 159082093 /nfs/dbraw/zinc/08/20/93/159082093.db2.gz DMFOIFAGOLYUTD-LLVKDONJSA-N 0 0 303.322 0.426 10 0 DCAERN CC(C)[C@H]1N(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@]12CCCO2 ZINC000329335342 159083283 /nfs/dbraw/zinc/08/32/83/159083283.db2.gz OLWHZDKWJFIADS-QMTHXVAHSA-N 0 0 308.338 0.500 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@]3(C)CCCOC3)CCO2)n1 ZINC000329342698 159083759 /nfs/dbraw/zinc/08/37/59/159083759.db2.gz PSVGWEUTTDESRX-HOCLYGCPSA-N 0 0 322.409 0.939 10 0 DCAERN CC(C)n1nc(C(=O)N2CC(=O)N(C)C2)c2ccccc2c1=O ZINC000329350810 159084906 /nfs/dbraw/zinc/08/49/06/159084906.db2.gz FEHNNRCOVHWTHE-UHFFFAOYSA-N 0 0 314.345 0.849 10 0 DCAERN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000329382960 159086928 /nfs/dbraw/zinc/08/69/28/159086928.db2.gz OQNZMXZNAXRQQF-FQUUOJAGSA-N 0 0 306.366 0.359 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329416101 159090727 /nfs/dbraw/zinc/09/07/27/159090727.db2.gz GDRZMQPKCJXJOZ-AVGNSLFASA-N 0 0 319.423 0.606 10 0 DCAERN CCn1cnc2c1ncnc2N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329441668 159092932 /nfs/dbraw/zinc/09/29/32/159092932.db2.gz BJVVWAFMQPCYCX-JTQLQIEISA-N 0 0 309.395 0.717 10 0 DCAERN Cn1c2ccccc2n(CC(=O)N2CC3(C2)CCCOC3)c1=O ZINC000329485307 159096098 /nfs/dbraw/zinc/09/60/98/159096098.db2.gz XCHMBFZOSWLLIK-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)N1CCOCC1 ZINC000329509727 159097914 /nfs/dbraw/zinc/09/79/14/159097914.db2.gz BHTNMQHQWIBDRO-CHWSQXEVSA-N 0 0 303.428 0.122 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)Cc3cncnc3)CC2)n1 ZINC000329537079 159100796 /nfs/dbraw/zinc/10/07/96/159100796.db2.gz UTVWXSSMVPPDEO-NSHDSACASA-N 0 0 316.365 0.616 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)COC[C@H]1CCOC1 ZINC000329565621 159103062 /nfs/dbraw/zinc/10/30/62/159103062.db2.gz OKNUAVSBJKAOIX-WDEREUQCSA-N 0 0 302.396 0.029 10 0 DCAERN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000329616903 159107061 /nfs/dbraw/zinc/10/70/61/159107061.db2.gz SPCXODMDDBIODF-YNEHKIRRSA-N 0 0 321.464 0.873 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCS1(=O)=O ZINC000329672587 159110612 /nfs/dbraw/zinc/11/06/12/159110612.db2.gz NPRHRNUXTSHXEU-MNOVXSKESA-N 0 0 311.425 0.004 10 0 DCAERN Cc1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)nc(C)n1 ZINC000329685437 159112039 /nfs/dbraw/zinc/11/20/39/159112039.db2.gz USMAHSABFSPVNP-UHFFFAOYSA-N 0 0 324.450 0.666 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329728799 159115280 /nfs/dbraw/zinc/11/52/80/159115280.db2.gz FQSLWRRHXAQDNL-OBJOEFQTSA-N 0 0 302.378 0.920 10 0 DCAERN COCC1(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CCOCC1 ZINC000329744521 159116086 /nfs/dbraw/zinc/11/60/86/159116086.db2.gz XUBLJMQMIZRAJI-ZIAGYGMSSA-N 0 0 312.410 0.361 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1N1CCOCC1 ZINC000329755584 159117394 /nfs/dbraw/zinc/11/73/94/159117394.db2.gz YCXBGILNEDWYNT-HIFRSBDPSA-N 0 0 306.410 0.911 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1N1CCOCC1 ZINC000329757026 159117692 /nfs/dbraw/zinc/11/76/92/159117692.db2.gz ZBUVYAFJCADDQZ-BZUAXINKSA-N 0 0 323.437 0.567 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@H]1N1CCOCC1 ZINC000329755585 159117820 /nfs/dbraw/zinc/11/78/20/159117820.db2.gz YCXBGILNEDWYNT-UKRRQHHQSA-N 0 0 306.410 0.911 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 ZINC000329770913 159118220 /nfs/dbraw/zinc/11/82/20/159118220.db2.gz JFBDCMXRRKYAAH-HNNXBMFYSA-N 0 0 322.409 0.939 10 0 DCAERN O=C(Cc1cncnc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000329779827 159119686 /nfs/dbraw/zinc/11/96/86/159119686.db2.gz MFSKCQOJAWNHTF-CQSZACIVSA-N 0 0 318.377 0.117 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)N(C)[C@H]3CCOC3)CC(=O)N2C)cnn1C ZINC000329801323 159120367 /nfs/dbraw/zinc/12/03/67/159120367.db2.gz JLCSBLXBCZGPGZ-HUBLWGQQSA-N 0 0 320.393 0.495 10 0 DCAERN c1c(CN2CCO[C@@]3(CCOC3)C2)nnn1Cc1cccnc1 ZINC000329937702 159130002 /nfs/dbraw/zinc/13/00/02/159130002.db2.gz DRWLXXCXIMKKKV-INIZCTEOSA-N 0 0 315.377 0.713 10 0 DCAERN O=S(=O)(N[C@H]1CCc2c[nH]nc2C1)c1cnc2n1CCC2 ZINC000330011784 159135606 /nfs/dbraw/zinc/13/56/06/159135606.db2.gz JMONMNYLWLOQSE-JTQLQIEISA-N 0 0 307.379 0.388 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000330107505 159142763 /nfs/dbraw/zinc/14/27/63/159142763.db2.gz MFRSDTZEAXUDFL-KZVDOYCCSA-N 0 0 318.439 0.840 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)C3(O)CCOCC3)CCO2)cn1 ZINC000330156610 159146232 /nfs/dbraw/zinc/14/62/32/159146232.db2.gz OWBYFNLOTBZIPK-ZDUSSCGKSA-N 0 0 309.366 0.344 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCc1ccno1 ZINC000330201222 159149884 /nfs/dbraw/zinc/14/98/84/159149884.db2.gz XKWZVCTXCIDTQL-LBPRGKRZSA-N 0 0 315.395 0.885 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000330207332 159150533 /nfs/dbraw/zinc/15/05/33/159150533.db2.gz FYYRFBPQTLJFEK-GHMZBOCLSA-N 0 0 302.400 0.798 10 0 DCAERN CO[C@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@@H]1OC ZINC000330261764 159155209 /nfs/dbraw/zinc/15/52/09/159155209.db2.gz PICRSAWWMZQLEV-GJZGRUSLSA-N 0 0 321.377 0.404 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000330304243 159158502 /nfs/dbraw/zinc/15/85/02/159158502.db2.gz PWCVINLZBJFPEB-QLFBSQMISA-N 0 0 320.393 0.337 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)CCNC(=O)C(C)C ZINC000330593240 159199339 /nfs/dbraw/zinc/19/93/39/159199339.db2.gz SDZYNRHYDCBULA-LLVKDONJSA-N 0 0 301.412 0.138 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1=O ZINC000332785438 159213737 /nfs/dbraw/zinc/21/37/37/159213737.db2.gz GHQGMMRBYDMHNI-QWRGUYRKSA-N 0 0 311.407 0.035 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)O1 ZINC000332838263 159214523 /nfs/dbraw/zinc/21/45/23/159214523.db2.gz NUUXYPUVSJTHMI-VLXAULBPSA-N 0 0 310.394 0.696 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H]3CCC[C@H]32)C1 ZINC000332935183 159217195 /nfs/dbraw/zinc/21/71/95/159217195.db2.gz AJXQVPTUYPNMNI-YNEHKIRRSA-N 0 0 310.398 0.753 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000332931555 159217545 /nfs/dbraw/zinc/21/75/45/159217545.db2.gz WRYRTWFVCGOFDT-NWDGAFQWSA-N 0 0 305.382 0.031 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCS[C@H](C)C2)n1 ZINC000359248909 159256507 /nfs/dbraw/zinc/25/65/07/159256507.db2.gz UURYZTFLAYIRKE-LLVKDONJSA-N 0 0 323.418 0.713 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000359285254 159262085 /nfs/dbraw/zinc/26/20/85/159262085.db2.gz MCFFAPNXBPWFOM-UPJWGTAASA-N 0 0 304.387 0.267 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000366731543 159282504 /nfs/dbraw/zinc/28/25/04/159282504.db2.gz DKJXRXHWEORAHR-TUAOUCFPSA-N 0 0 310.398 0.341 10 0 DCAERN O=C1CO[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C[C@H]2N1 ZINC000366767511 159285445 /nfs/dbraw/zinc/28/54/45/159285445.db2.gz GKJDFOZZPJDYEO-CHWSQXEVSA-N 0 0 302.334 0.759 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000366813108 159289124 /nfs/dbraw/zinc/28/91/24/159289124.db2.gz WHPQTVZJHNWCKS-STQMWFEESA-N 0 0 306.410 0.745 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCN2CCOC[C@H]2C1 ZINC000366960890 159301105 /nfs/dbraw/zinc/30/11/05/159301105.db2.gz TZRRRPBCKIZQOV-OLZOCXBDSA-N 0 0 304.394 0.383 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN[C@H](c2ccncc2)C1 ZINC000367083945 159311134 /nfs/dbraw/zinc/31/11/34/159311134.db2.gz JZVXBEWDZHFGMI-GJZGRUSLSA-N 0 0 302.378 0.565 10 0 DCAERN COc1ccc(OC)c(CN2CCC(S(N)(=O)=O)CC2)c1 ZINC000367137272 159316674 /nfs/dbraw/zinc/31/66/74/159316674.db2.gz CLRUBNBLOGQQMC-UHFFFAOYSA-N 0 0 314.407 0.957 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000367401136 159336793 /nfs/dbraw/zinc/33/67/93/159336793.db2.gz FRIOHKQNBBMAMJ-VXGBXAGGSA-N 0 0 314.407 0.710 10 0 DCAERN COCc1cnc(NC(=O)N2CCN3CCOC[C@H]3C2)s1 ZINC000367580112 159345037 /nfs/dbraw/zinc/34/50/37/159345037.db2.gz LETBJVRUTFYAOW-SNVBAGLBSA-N 0 0 312.395 0.838 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCOCC[C@H]2C)c(C)o1 ZINC000367645103 159348173 /nfs/dbraw/zinc/34/81/73/159348173.db2.gz MHVHVHXWTHFXEE-SECBINFHSA-N 0 0 316.379 0.747 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000367715828 159352519 /nfs/dbraw/zinc/35/25/19/159352519.db2.gz CQJGFLGGWORSFO-JTQLQIEISA-N 0 0 318.420 0.664 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000368143460 159377990 /nfs/dbraw/zinc/37/79/90/159377990.db2.gz DDIRXSHRSGGGGV-STQMWFEESA-N 0 0 317.455 0.547 10 0 DCAERN Cc1c[nH]nc1CN[C@H]1CCCN(CCN2CCOCC2)C1=O ZINC000368239384 159383695 /nfs/dbraw/zinc/38/36/95/159383695.db2.gz GSEJRWMNLBEVCZ-AWEZNQCLSA-N 0 0 321.425 0.131 10 0 DCAERN COc1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1OC ZINC000368323972 159387057 /nfs/dbraw/zinc/38/70/57/159387057.db2.gz LNBHCXIWFCTPOJ-AWEZNQCLSA-N 0 0 320.389 0.789 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368315980 159387474 /nfs/dbraw/zinc/38/74/74/159387474.db2.gz DPZSTBMSVSCKGN-CYBMUJFWSA-N 0 0 304.350 0.334 10 0 DCAERN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C2=COCCC2)C1=O ZINC000370039790 159494836 /nfs/dbraw/zinc/49/48/36/159494836.db2.gz ZYHUHRCRFSXVNX-NHYWBVRUSA-N 0 0 307.350 0.517 10 0 DCAERN CN(CCCO)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000370244468 159506801 /nfs/dbraw/zinc/50/68/01/159506801.db2.gz ZHHYWEUPRAMEJQ-AWEZNQCLSA-N 0 0 305.378 0.811 10 0 DCAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC(n2ccnn2)C1 ZINC000371617553 159576982 /nfs/dbraw/zinc/57/69/82/159576982.db2.gz XSFCLCWVYBGHFT-UHFFFAOYSA-N 0 0 303.297 0.117 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCc1cccc2c1OCO2 ZINC000372147585 159604543 /nfs/dbraw/zinc/60/45/43/159604543.db2.gz YOURVQLGWLHCLP-LLVKDONJSA-N 0 0 306.318 0.061 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc(=O)[nH]1 ZINC000373199898 159667761 /nfs/dbraw/zinc/66/77/61/159667761.db2.gz BXJHIFLOHDCOAA-CYBMUJFWSA-N 0 0 319.361 0.605 10 0 DCAERN NC(=O)CC1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000373791165 159699739 /nfs/dbraw/zinc/69/97/39/159699739.db2.gz QPPAJRJQRFKUOO-UHFFFAOYSA-N 0 0 317.345 0.284 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000374749826 159748943 /nfs/dbraw/zinc/74/89/43/159748943.db2.gz JOUAPPDGOZXRTG-GXTWGEPZSA-N 0 0 310.394 0.149 10 0 DCAERN COCCOc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000374932152 159760643 /nfs/dbraw/zinc/76/06/43/159760643.db2.gz VSDMLRYHWMFMDY-OAHLLOKOSA-N 0 0 320.389 0.868 10 0 DCAERN CC(C)[C@@H]1NC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375049514 159769016 /nfs/dbraw/zinc/76/90/16/159769016.db2.gz NIPXBMWJHLXHNP-RYUDHWBXSA-N 0 0 309.366 0.343 10 0 DCAERN CN1C(=O)N(CC(=O)N2CCC[C@H](O)C2)C(=O)C12CCCCC2 ZINC000377411421 159917234 /nfs/dbraw/zinc/91/72/34/159917234.db2.gz PWBGEFSAFGSXSL-LBPRGKRZSA-N 0 0 323.393 0.567 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000407952168 159995882 /nfs/dbraw/zinc/99/58/82/159995882.db2.gz FRLKWPSYOBCUKY-HBNTYKKESA-N 0 0 318.395 0.157 10 0 DCAERN CNC(=O)C1CCC(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407969885 159999101 /nfs/dbraw/zinc/99/91/01/159999101.db2.gz AAYMWGUMTLFRDH-UNXYVOJBSA-N 0 0 310.398 0.163 10 0 DCAERN C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCO1 ZINC000407976153 160000899 /nfs/dbraw/zinc/00/08/99/160000899.db2.gz MNPUDJFLIXDOPF-IJLUTSLNSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000407976081 160000929 /nfs/dbraw/zinc/00/09/29/160000929.db2.gz SFBFASTTYCNBGI-NSHDSACASA-N 0 0 304.412 0.320 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000407978854 160001535 /nfs/dbraw/zinc/00/15/35/160001535.db2.gz ILFTVXBTIAASRQ-YNEHKIRRSA-N 0 0 309.410 0.666 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@]1(O)CCOC1 ZINC000407993165 160005382 /nfs/dbraw/zinc/00/53/82/160005382.db2.gz LXEFMMVZUJUDTC-XHDPSFHLSA-N 0 0 323.397 0.687 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000407997220 160005930 /nfs/dbraw/zinc/00/59/30/160005930.db2.gz NAHWKEIBRVOUGN-NSHDSACASA-N 0 0 301.343 0.510 10 0 DCAERN CCN1CCC[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000408003739 160008642 /nfs/dbraw/zinc/00/86/42/160008642.db2.gz HDEREURYAYVDQO-GFCCVEGCSA-N 0 0 318.439 0.181 10 0 DCAERN Cc1c(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1C ZINC000408007177 160009687 /nfs/dbraw/zinc/00/96/87/160009687.db2.gz GMCXMDQVKRJPLP-SECBINFHSA-N 0 0 300.384 0.057 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000408007113 160009694 /nfs/dbraw/zinc/00/96/94/160009694.db2.gz FJYBHKQUYQYPNX-SECBINFHSA-N 0 0 318.333 0.747 10 0 DCAERN CCc1onc(C)c1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408009175 160009905 /nfs/dbraw/zinc/00/99/05/160009905.db2.gz PTRMYUCCYIETTB-SECBINFHSA-N 0 0 316.383 0.701 10 0 DCAERN COCc1nc(C)c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000408006849 160009968 /nfs/dbraw/zinc/00/99/68/160009968.db2.gz CLTWFVDPFWEIAJ-QMMMGPOBSA-N 0 0 318.420 0.857 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000408010512 160010669 /nfs/dbraw/zinc/01/06/69/160010669.db2.gz OWEPHWGFCZIKAI-ZJUUUORDSA-N 0 0 300.384 0.178 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000408015883 160012543 /nfs/dbraw/zinc/01/25/43/160012543.db2.gz GJGCZLGSQKIGLA-GRYCIOLGSA-N 0 0 308.444 0.321 10 0 DCAERN C[C@H](CCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)[S@](C)=O ZINC000408023925 160015054 /nfs/dbraw/zinc/01/50/54/160015054.db2.gz WMGVBRUFXHSFFS-YWKQUGORSA-N 0 0 317.455 0.258 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C2(O)CCSCC2)C1 ZINC000408035313 160018455 /nfs/dbraw/zinc/01/84/55/160018455.db2.gz LCMQOFWKTHZVHH-NSHDSACASA-N 0 0 300.424 0.762 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000408042882 160020255 /nfs/dbraw/zinc/02/02/55/160020255.db2.gz UUHDOXLRPWKEOU-OLZOCXBDSA-N 0 0 307.398 0.825 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000408042875 160020679 /nfs/dbraw/zinc/02/06/79/160020679.db2.gz UPRHGOVMCVGQFP-NSHDSACASA-N 0 0 304.306 0.588 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCNC(=O)[C@@H]2c2cccs2)C1 ZINC000408049516 160022812 /nfs/dbraw/zinc/02/28/12/160022812.db2.gz ASQGDZBADIZDTO-YPMHNXCESA-N 0 0 321.402 0.616 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000408048045 160023223 /nfs/dbraw/zinc/02/32/23/160023223.db2.gz KSPIFHFJBXMMFM-OAHLLOKOSA-N 0 0 308.382 0.950 10 0 DCAERN Cc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000408049783 160023751 /nfs/dbraw/zinc/02/37/51/160023751.db2.gz AHGJYBTZMZJLLJ-OCCSQVGLSA-N 0 0 321.352 0.801 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000408054607 160024533 /nfs/dbraw/zinc/02/45/33/160024533.db2.gz SWNSHMZFXQJVDK-VXGBXAGGSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408052553 160024644 /nfs/dbraw/zinc/02/46/44/160024644.db2.gz QQCSYROICOGKKA-TUAOUCFPSA-N 0 0 324.425 0.552 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@]2(C)CCCC[C@H]2O)C1 ZINC000408055577 160025379 /nfs/dbraw/zinc/02/53/79/160025379.db2.gz YSEGCKIATXQHBT-VNQPRFMTSA-N 0 0 312.410 0.417 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408059259 160025789 /nfs/dbraw/zinc/02/57/89/160025789.db2.gz BUBIKUAGTQANGQ-UTUOFQBUSA-N 0 0 310.398 0.149 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)nc1C ZINC000408058886 160025925 /nfs/dbraw/zinc/02/59/25/160025925.db2.gz NYENZCPDFCUUPT-JTQLQIEISA-N 0 0 300.384 0.111 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408062080 160026582 /nfs/dbraw/zinc/02/65/82/160026582.db2.gz MVKRDNIRWBTZSI-SRVKXCTJSA-N 0 0 302.396 0.170 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3cc(C)cc(=O)[nH]3)CCN2C)n1 ZINC000408071747 160029317 /nfs/dbraw/zinc/02/93/17/160029317.db2.gz LHCDHRXLBQLVCT-GFCCVEGCSA-N 0 0 317.349 0.916 10 0 DCAERN C[C@@H]1C[C@@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000408083738 160031566 /nfs/dbraw/zinc/03/15/66/160031566.db2.gz KVUWDVOOTCYYDQ-NDBYEHHHSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@@H]1COCCN1C(=O)CSCC(=O)N1CCOC[C@@H]1C ZINC000408090043 160033194 /nfs/dbraw/zinc/03/31/94/160033194.db2.gz PVPNPSUXIMGZBI-TXEJJXNPSA-N 0 0 316.423 0.214 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c1C ZINC000408088778 160033374 /nfs/dbraw/zinc/03/33/74/160033374.db2.gz KHXLHLZIEVEFKP-CABZTGNLSA-N 0 0 301.412 0.911 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C)[C@H](O)C2)C1 ZINC000408090139 160033516 /nfs/dbraw/zinc/03/35/16/160033516.db2.gz BMHCQYAMMARDDW-RWMBFGLXSA-N 0 0 318.439 0.277 10 0 DCAERN C[C@H]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H]1O ZINC000408094108 160034009 /nfs/dbraw/zinc/03/40/09/160034009.db2.gz FKDZMGZWMSJJML-IONNQARKSA-N 0 0 304.393 0.238 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncc3ccccc3c2=O)C[C@@H]1O ZINC000408095102 160034949 /nfs/dbraw/zinc/03/49/49/160034949.db2.gz XEJGJRLNECCYPZ-FZMZJTMJSA-N 0 0 301.346 0.626 10 0 DCAERN CC[C@H]1CN(C(=O)c2cnc3c(C)cccn3c2=O)C[C@H]1O ZINC000408098422 160035875 /nfs/dbraw/zinc/03/58/75/160035875.db2.gz USBNVALCRWSJOS-WCQYABFASA-N 0 0 301.346 0.846 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCCC[C@H]1CO ZINC000408104728 160036213 /nfs/dbraw/zinc/03/62/13/160036213.db2.gz MSIKIOWLMKFZQJ-QJPTWQEYSA-N 0 0 304.412 0.414 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCO[C@@]3(CCCOC3)C2)nc1 ZINC000408108579 160037243 /nfs/dbraw/zinc/03/72/43/160037243.db2.gz BAXWNEZDEGKDSO-AWEZNQCLSA-N 0 0 312.391 0.871 10 0 DCAERN C[C@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000408112039 160038071 /nfs/dbraw/zinc/03/80/71/160038071.db2.gz JBQYBLWJBYRLGK-LBPRGKRZSA-N 0 0 318.782 0.584 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000408112345 160039128 /nfs/dbraw/zinc/03/91/28/160039128.db2.gz KALUDFNDWWAMIF-FZMZJTMJSA-N 0 0 303.362 0.939 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000408116505 160039567 /nfs/dbraw/zinc/03/95/67/160039567.db2.gz XIVZAKQJOIYDKC-MRVPVSSYSA-N 0 0 316.379 0.468 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCC2)c(C)o1 ZINC000408115809 160039708 /nfs/dbraw/zinc/03/97/08/160039708.db2.gz MDTMMRUDRFZWCN-SNVBAGLBSA-N 0 0 316.379 0.422 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCSC[C@H]1CCO ZINC000408127008 160042925 /nfs/dbraw/zinc/04/29/25/160042925.db2.gz UMRLBYAFPCSWOJ-MNOVXSKESA-N 0 0 304.437 0.234 10 0 DCAERN C[C@H](CN1CCN(C(=O)N(C)C)CC1(C)C)CS(C)(=O)=O ZINC000408131147 160043398 /nfs/dbraw/zinc/04/33/98/160043398.db2.gz GMWZJDIDJLDEPL-GFCCVEGCSA-N 0 0 319.471 0.745 10 0 DCAERN C[C@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)CC1=O ZINC000408129600 160043401 /nfs/dbraw/zinc/04/34/01/160043401.db2.gz AVCBPQNWFCDGRY-WRWGMCAJSA-N 0 0 301.412 0.172 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N1CC[C@@H](C)C1 ZINC000408130703 160043499 /nfs/dbraw/zinc/04/34/99/160043499.db2.gz CQAJNGJSBZOXBG-SNVBAGLBSA-N 0 0 300.428 0.756 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000408129841 160043531 /nfs/dbraw/zinc/04/35/31/160043531.db2.gz RWAPNTKIIKMHFH-CHWSQXEVSA-N 0 0 309.410 0.618 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CC(C)C)C1 ZINC000408133732 160044311 /nfs/dbraw/zinc/04/43/11/160044311.db2.gz PIDPRDMXTQYASC-LBPRGKRZSA-N 0 0 305.444 0.810 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CC[C@H](C)C1 ZINC000408134905 160045312 /nfs/dbraw/zinc/04/53/12/160045312.db2.gz WJBNEAQQXXPDLG-QWRGUYRKSA-N 0 0 313.427 0.852 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408140959 160046083 /nfs/dbraw/zinc/04/60/83/160046083.db2.gz UVYYNZOVUFZLIH-SNVBAGLBSA-N 0 0 307.316 0.608 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000408144649 160047805 /nfs/dbraw/zinc/04/78/05/160047805.db2.gz BTHVYHHYTHKGIL-GFCCVEGCSA-N 0 0 303.428 0.516 10 0 DCAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC(=O)N1 ZINC000408163175 160050694 /nfs/dbraw/zinc/05/06/94/160050694.db2.gz BUEDFFXZGDGZIL-DTWKUNHWSA-N 0 0 303.318 0.985 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1)N1CCOCC1 ZINC000408169296 160052101 /nfs/dbraw/zinc/05/21/01/160052101.db2.gz MTAGIEYESOYMGO-HZSPNIEDSA-N 0 0 311.426 0.470 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cn1 ZINC000408171786 160052706 /nfs/dbraw/zinc/05/27/06/160052706.db2.gz NSKOBZVZOJIQOC-ZYHUDNBSSA-N 0 0 300.380 0.872 10 0 DCAERN CCc1noc(C)c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408180257 160054469 /nfs/dbraw/zinc/05/44/69/160054469.db2.gz OOUVDPARVWEQJR-VIFPVBQESA-N 0 0 301.368 0.309 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)o1 ZINC000408186648 160055081 /nfs/dbraw/zinc/05/50/81/160055081.db2.gz IZNKJFUQMSEKFJ-LPEHRKFASA-N 0 0 314.363 0.031 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000408186565 160055472 /nfs/dbraw/zinc/05/54/72/160055472.db2.gz VJCSBZSFTKZSLM-SNVBAGLBSA-N 0 0 317.436 0.741 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000408187591 160055483 /nfs/dbraw/zinc/05/54/83/160055483.db2.gz ONQOAJZQCZAVIL-UHFFFAOYSA-N 0 0 318.345 0.741 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408189115 160055984 /nfs/dbraw/zinc/05/59/84/160055984.db2.gz VVRZLQHYYBMIIL-NNYUYHANSA-N 0 0 318.439 0.180 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000408188740 160056168 /nfs/dbraw/zinc/05/61/68/160056168.db2.gz UOHZRDMMCDNKRC-WCFLWFBJSA-N 0 0 324.402 0.485 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(c3cnn(C)c3)CC2)CC(=O)N1 ZINC000408191004 160056917 /nfs/dbraw/zinc/05/69/17/160056917.db2.gz CBEUBFMEIMMCSU-OLZOCXBDSA-N 0 0 319.409 0.374 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)CC(=O)N1 ZINC000408200372 160058272 /nfs/dbraw/zinc/05/82/72/160058272.db2.gz ABXIVBDUSNDBLG-UPJWGTAASA-N 0 0 305.382 0.746 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408198853 160058486 /nfs/dbraw/zinc/05/84/86/160058486.db2.gz WDXPRCRMKACATK-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)C2CCCCC2)CCS1(=O)=O ZINC000408198655 160058513 /nfs/dbraw/zinc/05/85/13/160058513.db2.gz UMGROAGLEVIMNQ-NSHDSACASA-N 0 0 316.423 0.328 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)CC(=O)N1 ZINC000408200463 160058671 /nfs/dbraw/zinc/05/86/71/160058671.db2.gz CDIOZIPSOJCVSX-DGCLKSJQSA-N 0 0 321.421 0.761 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)CSCC(=O)N1CCOCC1 ZINC000408217916 160062502 /nfs/dbraw/zinc/06/25/02/160062502.db2.gz NUQUMGAJLXOFMR-RYUDHWBXSA-N 0 0 316.423 0.214 10 0 DCAERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC000408220918 160063151 /nfs/dbraw/zinc/06/31/51/160063151.db2.gz ATTIMODVTGLIMR-SMDDNHRTSA-N 0 0 320.455 0.571 10 0 DCAERN Cc1c(C(=O)N2CCS(=O)CC2)cccc1N1CCNC1=O ZINC000408230181 160064624 /nfs/dbraw/zinc/06/46/24/160064624.db2.gz DBIJDGKQQLDXNZ-UHFFFAOYSA-N 0 0 321.402 0.729 10 0 DCAERN O=C(c1ccnc(C2CC2)n1)N1CC[C@H](N2CCOCC2)C1 ZINC000408232161 160064823 /nfs/dbraw/zinc/06/48/23/160064823.db2.gz RRRPXKCLLVQHRQ-ZDUSSCGKSA-N 0 0 302.378 0.901 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2[C@@H](C)C2(F)F)C1 ZINC000408231254 160064934 /nfs/dbraw/zinc/06/49/34/160064934.db2.gz LSVPBWWHUCVQSM-BBBLOLIVSA-N 0 0 310.366 0.816 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1cnn(C)c1 ZINC000408234207 160065571 /nfs/dbraw/zinc/06/55/71/160065571.db2.gz CVILDWSLEZHFBV-VHSXEESVSA-N 0 0 300.384 0.310 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)c1cnn(C)c1 ZINC000408234293 160065588 /nfs/dbraw/zinc/06/55/88/160065588.db2.gz BWIBFJNVZJGRGT-AXFHLTTASA-N 0 0 302.400 0.425 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cnn1C ZINC000408236459 160066370 /nfs/dbraw/zinc/06/63/70/160066370.db2.gz MUTIRBYBFUVTPJ-DCAQKATOSA-N 0 0 316.427 0.733 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408239306 160066699 /nfs/dbraw/zinc/06/66/99/160066699.db2.gz WMKIJOQPOOIVAK-QWRGUYRKSA-N 0 0 301.412 0.838 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](O)C2(C)C)cccc1S(N)(=O)=O ZINC000408241123 160066905 /nfs/dbraw/zinc/06/69/05/160066905.db2.gz SRPMQYAUAIJYHZ-GFCCVEGCSA-N 0 0 312.391 0.628 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000408242403 160067906 /nfs/dbraw/zinc/06/79/06/160067906.db2.gz UFODYJDJNMMJSO-UWVGGRQHSA-N 0 0 317.411 0.902 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408249348 160069374 /nfs/dbraw/zinc/06/93/74/160069374.db2.gz ZWXDJUUJQNENOG-MRXNPFEDSA-N 0 0 301.346 0.528 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1 ZINC000408246971 160069467 /nfs/dbraw/zinc/06/94/67/160069467.db2.gz QRCKCVOECHIYTB-ZIAGYGMSSA-N 0 0 308.382 0.691 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000408252022 160069807 /nfs/dbraw/zinc/06/98/07/160069807.db2.gz KXANMWCPXUMXIW-WBMJQRKESA-N 0 0 322.409 0.307 10 0 DCAERN C[S@@](=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000408258773 160071397 /nfs/dbraw/zinc/07/13/97/160071397.db2.gz BAMNFTOXYFDWFK-KPWVOAKYSA-N 0 0 322.390 0.665 10 0 DCAERN Cn1nc(CC(=O)N2C[C@H](O)C(C)(C)C2)c2ccccc2c1=O ZINC000408265368 160072147 /nfs/dbraw/zinc/07/21/47/160072147.db2.gz KEGQYPMESNOOQV-AWEZNQCLSA-N 0 0 315.373 0.705 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000408270543 160072447 /nfs/dbraw/zinc/07/24/47/160072447.db2.gz RJSWCSFFIKZKHI-UHFFFAOYSA-N 0 0 319.365 0.446 10 0 DCAERN CC1(C)CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1O ZINC000408267229 160072659 /nfs/dbraw/zinc/07/26/59/160072659.db2.gz YMTDUGRCQVJZHT-CQSZACIVSA-N 0 0 301.346 0.626 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000408271347 160073297 /nfs/dbraw/zinc/07/32/97/160073297.db2.gz MNBFIUDYZQMQKT-PPUFBPAQSA-N 0 0 308.378 0.704 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)C1 ZINC000408274223 160073319 /nfs/dbraw/zinc/07/33/19/160073319.db2.gz JPJUZWURYHAIMC-JSGCOSHPSA-N 0 0 306.366 0.153 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408275035 160074496 /nfs/dbraw/zinc/07/44/96/160074496.db2.gz SCMVDNJLKUMYLU-STQMWFEESA-N 0 0 311.426 0.456 10 0 DCAERN CNC(=O)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000408278766 160075282 /nfs/dbraw/zinc/07/52/82/160075282.db2.gz YEDFGGMESZUGCI-UHFFFAOYSA-N 0 0 310.398 0.167 10 0 DCAERN C[C@H](C(=O)N1CCOc2ccc(F)cc2C1)S(C)(=O)=O ZINC000408279969 160075365 /nfs/dbraw/zinc/07/53/65/160075365.db2.gz MCNMBFNGBHXWRD-SECBINFHSA-N 0 0 301.339 0.980 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCCCO1 ZINC000408284877 160076933 /nfs/dbraw/zinc/07/69/33/160076933.db2.gz BHWCEIZGJZRNRC-NSHDSACASA-N 0 0 306.384 0.676 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCCNC(=O)[C@H]3C)c(C)n2n1 ZINC000408293185 160078230 /nfs/dbraw/zinc/07/82/30/160078230.db2.gz GAKFYTPNGHBEJU-LLVKDONJSA-N 0 0 301.350 0.697 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)C[C@H]2C)c1 ZINC000408293502 160078376 /nfs/dbraw/zinc/07/83/76/160078376.db2.gz YOSSNSSHEFKQAY-MWLCHTKSSA-N 0 0 313.379 0.582 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)c1ccc(C(N)=O)nc1)CCO2 ZINC000408296229 160079161 /nfs/dbraw/zinc/07/91/61/160079161.db2.gz BRLZKQQMMARAMO-BMIGLBTASA-N 0 0 305.334 0.201 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@H](C)O1 ZINC000408303266 160080745 /nfs/dbraw/zinc/08/07/45/160080745.db2.gz NLVOJKCDZFHTQY-DLOVCJGASA-N 0 0 302.396 0.170 10 0 DCAERN Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1F ZINC000408306517 160081651 /nfs/dbraw/zinc/08/16/51/160081651.db2.gz DHXAFIUBGCZHFO-SNVBAGLBSA-N 0 0 304.318 0.830 10 0 DCAERN CC1(C)COCCN1CC[N-]S(=O)(=O)CC(F)(F)F ZINC000408310071 160082615 /nfs/dbraw/zinc/08/26/15/160082615.db2.gz PRJISAGBWUDFCK-UHFFFAOYSA-N 0 0 304.334 0.579 10 0 DCAERN CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408313954 160083292 /nfs/dbraw/zinc/08/32/92/160083292.db2.gz ORPAPESHGQULLQ-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)O1 ZINC000408320074 160083767 /nfs/dbraw/zinc/08/37/67/160083767.db2.gz JRCVTPLNWSTZAF-GIPNMCIBSA-N 0 0 306.366 0.782 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CCC[C@H]1CCO)C2 ZINC000408324234 160085536 /nfs/dbraw/zinc/08/55/36/160085536.db2.gz JTSMCDXGMWGJSB-WCQYABFASA-N 0 0 320.393 0.399 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)n1 ZINC000408332900 160087114 /nfs/dbraw/zinc/08/71/14/160087114.db2.gz ZSQBEXXNRWKFFX-WCQYABFASA-N 0 0 308.382 0.837 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)CCO1 ZINC000408337218 160087372 /nfs/dbraw/zinc/08/73/72/160087372.db2.gz BHTSBQJWJXREPU-UPJWGTAASA-N 0 0 320.393 0.847 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408344852 160088890 /nfs/dbraw/zinc/08/88/90/160088890.db2.gz BJNVXVJLPSUPQF-UMVBOHGHSA-N 0 0 320.393 0.577 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@](C)(O)C2)c1 ZINC000408348001 160089842 /nfs/dbraw/zinc/08/98/42/160089842.db2.gz XYQQHHMVQNGHQM-ZDUSSCGKSA-N 0 0 315.395 0.298 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000408349485 160089862 /nfs/dbraw/zinc/08/98/62/160089862.db2.gz QGQIIHXFFINCMQ-DTWKUNHWSA-N 0 0 318.420 0.953 10 0 DCAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000408359439 160091539 /nfs/dbraw/zinc/09/15/39/160091539.db2.gz MOAMMFSJPXUXDI-VXGBXAGGSA-N 0 0 304.412 0.198 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)O1 ZINC000408362461 160092554 /nfs/dbraw/zinc/09/25/54/160092554.db2.gz OQFFIMGGJXFGOA-QWRGUYRKSA-N 0 0 319.427 0.277 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2c(Br)cnn2C)CCO1 ZINC000408365429 160092936 /nfs/dbraw/zinc/09/29/36/160092936.db2.gz IPWUATIMZBLMOX-SNVBAGLBSA-N 0 0 317.187 0.129 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCO[C@H](CO)C1 ZINC000408368697 160093801 /nfs/dbraw/zinc/09/38/01/160093801.db2.gz MDRHZZGPRSRHLK-AAEUAGOBSA-N 0 0 313.398 0.227 10 0 DCAERN Cc1cnc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c(O)c1 ZINC000408369878 160093959 /nfs/dbraw/zinc/09/39/59/160093959.db2.gz DHMBUGHYLLAWFY-UHFFFAOYSA-N 0 0 318.333 0.252 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000408368441 160094126 /nfs/dbraw/zinc/09/41/26/160094126.db2.gz ICVICPKOMCITAY-NSHDSACASA-N 0 0 324.402 0.928 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)CC(=O)N1 ZINC000408373349 160094491 /nfs/dbraw/zinc/09/44/91/160094491.db2.gz KZCIGZIDCPRKCV-MWLCHTKSSA-N 0 0 316.361 0.981 10 0 DCAERN O=C(N1CCn2c(nnc2-c2cccnc2)C1)C1(O)CCCC1 ZINC000408374279 160094526 /nfs/dbraw/zinc/09/45/26/160094526.db2.gz KDISBHZAQAZBIH-UHFFFAOYSA-N 0 0 313.361 0.987 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408384619 160096515 /nfs/dbraw/zinc/09/65/15/160096515.db2.gz ZZNYFYZXFHHUEP-CHWSQXEVSA-N 0 0 324.425 0.696 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)C[C@H](C)O1 ZINC000408383993 160096866 /nfs/dbraw/zinc/09/68/66/160096866.db2.gz FFKFXTOLSHVQTH-XQHKEYJVSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2C)C1 ZINC000408391240 160098239 /nfs/dbraw/zinc/09/82/39/160098239.db2.gz BOKKEIIGIYTOHA-QJPTWQEYSA-N 0 0 303.428 0.754 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cncc(F)c1 ZINC000408392344 160099079 /nfs/dbraw/zinc/09/90/79/160099079.db2.gz HTGLUVXLQPRBSL-LLVKDONJSA-N 0 0 311.342 0.934 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000408392133 160099238 /nfs/dbraw/zinc/09/92/38/160099238.db2.gz FYBJUULDRWYSNX-CYBMUJFWSA-N 0 0 315.377 0.958 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1CCSC1 ZINC000408398648 160100131 /nfs/dbraw/zinc/10/01/31/160100131.db2.gz ZTDCEHCWUZHJMY-MNOVXSKESA-N 0 0 308.407 0.608 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)C(C)(C)C1 ZINC000408400853 160101308 /nfs/dbraw/zinc/10/13/08/160101308.db2.gz YAHHYKDBDIBSHE-UHFFFAOYSA-N 0 0 321.381 0.331 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1nc(C)c(C)s1 ZINC000408407006 160101951 /nfs/dbraw/zinc/10/19/51/160101951.db2.gz WBZPJDFHBLABGR-SECBINFHSA-N 0 0 303.409 0.659 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC000408412442 160103563 /nfs/dbraw/zinc/10/35/63/160103563.db2.gz QBVFEPSWCKTFSH-GRYCIOLGSA-N 0 0 304.412 0.340 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CC(C)(C)C)n1 ZINC000408432239 160106860 /nfs/dbraw/zinc/10/68/60/160106860.db2.gz FBWVHGCDXRNNNB-VHSXEESVSA-N 0 0 303.384 0.862 10 0 DCAERN C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)[C@H]1CCCO1 ZINC000408436404 160107685 /nfs/dbraw/zinc/10/76/85/160107685.db2.gz YOKLGMUUHFLYNX-ZYHUDNBSSA-N 0 0 319.427 0.264 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408450031 160111258 /nfs/dbraw/zinc/11/12/58/160111258.db2.gz HZGKZRXANYEMPQ-CQSZACIVSA-N 0 0 306.322 0.360 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)ncn2C ZINC000408455115 160111681 /nfs/dbraw/zinc/11/16/81/160111681.db2.gz XFNMRZAMJXOXTQ-CYBMUJFWSA-N 0 0 322.390 0.472 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000408459559 160112584 /nfs/dbraw/zinc/11/25/84/160112584.db2.gz IXNFRVUVZWUBCS-MCIONIFRSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000408471473 160115173 /nfs/dbraw/zinc/11/51/73/160115173.db2.gz SMHPFJRSDXRLNK-OUCADQQQSA-N 0 0 310.394 0.386 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H]([C@@H](C)O)C2)C1 ZINC000408470251 160115558 /nfs/dbraw/zinc/11/55/58/160115558.db2.gz QIDIELYPCZRGKS-RDBSUJKOSA-N 0 0 312.410 0.633 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cnn(-c3ccccc3)c2)C[C@H]1C(N)=O ZINC000408473982 160116448 /nfs/dbraw/zinc/11/64/48/160116448.db2.gz WNOONHUWYQBYEF-IUODEOHRSA-N 0 0 312.373 0.995 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCNC(=O)C1CC1 ZINC000061284131 286902042 /nfs/dbraw/zinc/90/20/42/286902042.db2.gz CUGLOHHTJYCDSS-UHFFFAOYSA-N 0 0 307.398 0.405 10 0 DCAERN CC(C)c1nnc2n1CCN([C@@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000069948575 286909878 /nfs/dbraw/zinc/90/98/78/286909878.db2.gz MXSHAISNGXZRSL-STQMWFEESA-N 0 0 321.425 0.901 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCNC(=O)C1CC1 ZINC000073498468 286913074 /nfs/dbraw/zinc/91/30/74/286913074.db2.gz XQORRHQYAGZNDX-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N(C)C2CC2)cc1S(C)(=O)=O ZINC000129025990 286986094 /nfs/dbraw/zinc/98/60/94/286986094.db2.gz MXPQAJMSJZQCDV-UHFFFAOYSA-N 0 0 310.375 0.958 10 0 DCAERN CC(C)C[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131441370 287000502 /nfs/dbraw/zinc/00/05/02/287000502.db2.gz QWAPFMHNJZQBHR-NSHDSACASA-N 0 0 319.361 0.213 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NCCN1CCCS1(=O)=O ZINC000131677808 287001741 /nfs/dbraw/zinc/00/17/41/287001741.db2.gz RZJJKFSJOOUDKP-UHFFFAOYSA-N 0 0 304.412 0.534 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccs2)O1 ZINC000133211674 287009583 /nfs/dbraw/zinc/00/95/83/287009583.db2.gz VTNGOAMLRQWMRD-ZJUUUORDSA-N 0 0 318.420 0.710 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC000134335377 287015870 /nfs/dbraw/zinc/01/58/70/287015870.db2.gz TTXBFDPUPVHFFJ-LBPRGKRZSA-N 0 0 303.428 0.011 10 0 DCAERN CCOCCNC(=O)CNc1ccc(C)c(S(C)(=O)=O)c1 ZINC000134904842 287018973 /nfs/dbraw/zinc/01/89/73/287018973.db2.gz QLYJAQGUWPWVCR-UHFFFAOYSA-N 0 0 314.407 0.963 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)C1CCOCC1 ZINC000134883981 287018977 /nfs/dbraw/zinc/01/89/77/287018977.db2.gz JNQCJPPFUIFZPL-GHMZBOCLSA-N 0 0 304.412 0.630 10 0 DCAERN CCN(CC)C(=O)CCCNS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135519588 287022887 /nfs/dbraw/zinc/02/28/87/287022887.db2.gz BDTRIBHVHDGBCT-NEPJUHHUSA-N 0 0 306.428 0.732 10 0 DCAERN CC(=O)Nc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150736472 287030351 /nfs/dbraw/zinc/03/03/51/287030351.db2.gz FPIVULWAFBLQBJ-UHFFFAOYSA-N 0 0 316.317 0.295 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000150714563 287030499 /nfs/dbraw/zinc/03/04/99/287030499.db2.gz VWCGKHSXUOAGGU-CHWSQXEVSA-N 0 0 317.389 0.885 10 0 DCAERN Cn1cc(NC(=O)c2cc(F)c(F)cc2F)c(=O)n(C)c1=O ZINC000151449315 287033627 /nfs/dbraw/zinc/03/36/27/287033627.db2.gz TZZPSPKVYIIXQW-UHFFFAOYSA-N 0 0 313.235 0.754 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)NCCCNC(=O)C(C)C ZINC000152438703 287041350 /nfs/dbraw/zinc/04/13/50/287041350.db2.gz VMJZUKOVZWNZGB-UHFFFAOYSA-N 0 0 324.381 0.762 10 0 DCAERN C[C@]1(O)CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000177369985 287054855 /nfs/dbraw/zinc/05/48/55/287054855.db2.gz AHBOOXSVPDIGOB-ZDUSSCGKSA-N 0 0 307.741 0.913 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267709798 304454738 /nfs/dbraw/zinc/45/47/38/304454738.db2.gz QUCVNUQUMVJKAX-NEPJUHHUSA-N 0 0 317.393 0.804 10 0 DCAERN CN(C)c1noc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)n1 ZINC000192760315 287059959 /nfs/dbraw/zinc/05/99/59/287059959.db2.gz LRIVZNDJGNBQSQ-QWRGUYRKSA-N 0 0 316.427 0.923 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000245425517 287069250 /nfs/dbraw/zinc/06/92/50/287069250.db2.gz TYJQUFVBSTVWDY-RYUDHWBXSA-N 0 0 317.455 0.952 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C[C@H](C)O1 ZINC000245702973 287072256 /nfs/dbraw/zinc/07/22/56/287072256.db2.gz RRPPFDRITQAUHA-USZNOCQGSA-N 0 0 304.412 0.771 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246327132 287081341 /nfs/dbraw/zinc/08/13/41/287081341.db2.gz ZOGZLOWEQPFITM-QWHCGFSZSA-N 0 0 307.460 0.350 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000246278246 287080425 /nfs/dbraw/zinc/08/04/25/287080425.db2.gz HOQYBCPWRNADNJ-FYBVGQRMSA-N 0 0 308.284 0.990 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CCN1C[C@H](C)O ZINC000246162915 287077847 /nfs/dbraw/zinc/07/78/47/287077847.db2.gz LZMATWSQUTXMFL-BFHYXJOUSA-N 0 0 320.455 0.130 10 0 DCAERN CCN(C(=O)CN1[C@H](C)COC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000246962857 287089547 /nfs/dbraw/zinc/08/95/47/287089547.db2.gz KRVPVLOUUHWFHV-JHJVBQTASA-N 0 0 318.439 0.131 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)c1nncn1C ZINC000246670757 287086404 /nfs/dbraw/zinc/08/64/04/287086404.db2.gz DEBZPFBKJGWLDH-HBNTYKKESA-N 0 0 306.370 0.329 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000247879704 287095555 /nfs/dbraw/zinc/09/55/55/287095555.db2.gz ZWGHYQCIMXXPRG-VXGBXAGGSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000248666986 287099504 /nfs/dbraw/zinc/09/95/04/287099504.db2.gz WXPVFTFDTDFOJJ-IWSPIJDZSA-N 0 0 320.333 0.195 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000248768543 287101643 /nfs/dbraw/zinc/10/16/43/287101643.db2.gz OZNUSSXAINEGKN-DCAQKATOSA-N 0 0 316.427 0.733 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000249002266 287104996 /nfs/dbraw/zinc/10/49/96/287104996.db2.gz YYBPNWFCIYKMDE-ZKYQVNSYSA-N 0 0 312.391 0.484 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(C)o1 ZINC000249116719 287106532 /nfs/dbraw/zinc/10/65/32/287106532.db2.gz BIUJRZCUFHYJKV-GHMZBOCLSA-N 0 0 316.423 0.972 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252894424 287120995 /nfs/dbraw/zinc/12/09/95/287120995.db2.gz ZEVYYBQUYBAATA-UBHSHLNASA-N 0 0 309.387 0.933 10 0 DCAERN CCn1c(N)c(C(=O)CN2CC[C@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586654 287121552 /nfs/dbraw/zinc/12/15/52/287121552.db2.gz OUBJNIPKRMHLHH-ONGXEEELSA-N 0 0 324.381 0.091 10 0 DCAERN CC(=O)c1ncc(C(=O)NCC(=O)Nc2ccn(C)n2)s1 ZINC000614044739 412296780 /nfs/dbraw/zinc/29/67/80/412296780.db2.gz GZYWKKAHGOSVJA-UHFFFAOYSA-N 0 0 307.335 0.448 10 0 DCAERN CCCc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)[nH]n1 ZINC000044010309 415219597 /nfs/dbraw/zinc/21/95/97/415219597.db2.gz CKQFNDGHTLGFCZ-UHFFFAOYSA-N 0 0 322.390 0.940 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000272002499 415272262 /nfs/dbraw/zinc/27/22/62/415272262.db2.gz WECCAYIWFPRGLF-MNOVXSKESA-N 0 0 321.308 0.754 10 0 DCAERN CCOc1ccccc1CCC(=O)NCCS(N)(=O)=O ZINC000056850937 415331313 /nfs/dbraw/zinc/33/13/13/415331313.db2.gz SQBLRVCIUFOXAJ-UHFFFAOYSA-N 0 0 300.380 0.423 10 0 DCAERN Cc1nccc(N2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)n1 ZINC000274176791 415332079 /nfs/dbraw/zinc/33/20/79/415332079.db2.gz JCCWKIDZZYDUBI-DGCLKSJQSA-N 0 0 305.382 0.794 10 0 DCAERN Cc1cc(C)nc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000274232007 415341861 /nfs/dbraw/zinc/34/18/61/415341861.db2.gz YHBJTGZPISMDOK-LLVKDONJSA-N 0 0 312.395 0.854 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000069872558 415405441 /nfs/dbraw/zinc/40/54/41/415405441.db2.gz VELICYUMLTXFTQ-QWRGUYRKSA-N 0 0 312.457 0.328 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1CCN1C(=O)c2ccccc2C1=O ZINC000073105619 415417028 /nfs/dbraw/zinc/41/70/28/415417028.db2.gz PAHIRXXOLLNXGX-CQSZACIVSA-N 0 0 315.373 0.835 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000073921132 415424028 /nfs/dbraw/zinc/42/40/28/415424028.db2.gz XNMDXFGSCBHDNY-KWQFWETISA-N 0 0 311.304 0.739 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@H](C)CS(C)(=O)=O ZINC000074217595 415426968 /nfs/dbraw/zinc/42/69/68/415426968.db2.gz GDYHFRAOEAGGNJ-LLVKDONJSA-N 0 0 316.427 0.771 10 0 DCAERN CN(CCn1cccn1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275520144 415374514 /nfs/dbraw/zinc/37/45/14/415374514.db2.gz MCCCXBJHVAKCEB-UONOGXRCSA-N 0 0 303.366 0.853 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCCC1=O ZINC000067199128 415375121 /nfs/dbraw/zinc/37/51/21/415375121.db2.gz WTAFMMWLNBEKOG-CQSZACIVSA-N 0 0 317.389 0.425 10 0 DCAERN Cc1ccc(NC(=O)NC[C@H](C)N2CCOCC2)cc1C(N)=O ZINC000067313949 415375346 /nfs/dbraw/zinc/37/53/46/415375346.db2.gz CKWMWEXGYDQALQ-LBPRGKRZSA-N 0 0 320.393 0.936 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000068157591 415390920 /nfs/dbraw/zinc/39/09/20/415390920.db2.gz JMBDUYJYUUVRAW-QMMMGPOBSA-N 0 0 307.354 0.236 10 0 DCAERN CC(=O)CSCC(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000343196873 415494843 /nfs/dbraw/zinc/49/48/43/415494843.db2.gz NOHZSHFBRDZTQW-LLVKDONJSA-N 0 0 322.452 0.239 10 0 DCAERN CC[C@@H](NC(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(=O)OC ZINC000084277808 415498004 /nfs/dbraw/zinc/49/80/04/415498004.db2.gz WCUFWJLNUVEIRO-GFCCVEGCSA-N 0 0 317.349 0.716 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000075437878 415446825 /nfs/dbraw/zinc/44/68/25/415446825.db2.gz OSDVNWXNGSDPEJ-SCZZXKLOSA-N 0 0 316.427 0.022 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[C@H]1CCCCO1 ZINC000332734578 415462912 /nfs/dbraw/zinc/46/29/12/415462912.db2.gz RMZAKPROGJJERK-VXGBXAGGSA-N 0 0 319.427 0.408 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000332790187 415475696 /nfs/dbraw/zinc/47/56/96/415475696.db2.gz VXBFGQSSPSLWHZ-QWRGUYRKSA-N 0 0 305.334 0.356 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cncc(C)c2)C1 ZINC000079879444 415476220 /nfs/dbraw/zinc/47/62/20/415476220.db2.gz AEYUJFRSJDXAOD-GFCCVEGCSA-N 0 0 304.350 0.456 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@@H](C)N(C)C3=O)C2)n(C)n1 ZINC000280030415 415521501 /nfs/dbraw/zinc/52/15/01/415521501.db2.gz IAGPNBNECUEIJE-NEPJUHHUSA-N 0 0 305.382 0.980 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(Br)c[nH]1 ZINC000089752011 415523245 /nfs/dbraw/zinc/52/32/45/415523245.db2.gz DXBXYHXYUGLHOK-ZCFIWIBFSA-N 0 0 300.112 0.312 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)NCCO)[C@H]1c1ccc(Cl)cc1 ZINC000091984956 415538028 /nfs/dbraw/zinc/53/80/28/415538028.db2.gz PNFPGFRCBRUDQY-DGCLKSJQSA-N 0 0 311.769 0.903 10 0 DCAERN CCOC(=O)CN(CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701124 415545649 /nfs/dbraw/zinc/54/56/49/415545649.db2.gz QUKZMIIKPLVVKM-GFCCVEGCSA-N 0 0 306.428 0.543 10 0 DCAERN CCOc1nc2ccccc2nc1N1CC[NH2+]C[C@H]1C(=O)[O-] ZINC000095069708 415548167 /nfs/dbraw/zinc/54/81/67/415548167.db2.gz OAAGJAKJFHWTLS-LBPRGKRZSA-N 0 0 302.334 0.891 10 0 DCAERN COC[C@@]1(CO)CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333106875 415555349 /nfs/dbraw/zinc/55/53/49/415555349.db2.gz DFJSXLWISTUELS-RQJABVFESA-N 0 0 303.424 0.836 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2=O)cn1 ZINC000333128679 415563084 /nfs/dbraw/zinc/56/30/84/415563084.db2.gz ARCPFCGUWYFQBN-ITDIGPHOSA-N 0 0 321.381 0.128 10 0 DCAERN CN1C(=O)CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)C1=O ZINC000333284089 415602022 /nfs/dbraw/zinc/60/20/22/415602022.db2.gz MZWKYCWJPROZGD-BJDJZHNGSA-N 0 0 319.361 0.729 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)N(C(C)=O)C1 ZINC000333288001 415602343 /nfs/dbraw/zinc/60/23/43/415602343.db2.gz NVZYXHCFSGZRHJ-AIEDFZFUSA-N 0 0 310.394 0.242 10 0 DCAERN CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@H]1CCNC1=O ZINC000333359975 415620866 /nfs/dbraw/zinc/62/08/66/415620866.db2.gz XFTCZAHZXBQHFP-HZSPNIEDSA-N 0 0 309.410 0.367 10 0 DCAERN CNC(=O)NCCC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000353725177 415636847 /nfs/dbraw/zinc/63/68/47/415636847.db2.gz WCSCEJMWAWFDFC-GXTWGEPZSA-N 0 0 306.366 0.689 10 0 DCAERN COCCN1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1=O ZINC000333231438 415588514 /nfs/dbraw/zinc/58/85/14/415588514.db2.gz YILOIYISVOKEMY-WOPDTQHZSA-N 0 0 302.396 0.253 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC000284387490 415599366 /nfs/dbraw/zinc/59/93/66/415599366.db2.gz BBFPYFMEKMVTNC-KGLIPLIRSA-N 0 0 301.350 0.503 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NCCN2CCSCC2)CCO1 ZINC000333452602 415653131 /nfs/dbraw/zinc/65/31/31/415653131.db2.gz SBPRCURSVMJJLT-NWDGAFQWSA-N 0 0 308.469 0.522 10 0 DCAERN CCOCCN(CC)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000107495320 415669163 /nfs/dbraw/zinc/66/91/63/415669163.db2.gz SFLRLBWBIPPZOL-UHFFFAOYSA-N 0 0 319.361 0.575 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cn(-c2cccnc2)nn1 ZINC000333555236 415681536 /nfs/dbraw/zinc/68/15/36/415681536.db2.gz NGABHANQPPYQIT-VXGBXAGGSA-N 0 0 300.366 0.827 10 0 DCAERN Cn1cnnc1CNC(=O)c1ncsc1Br ZINC000288787454 415686376 /nfs/dbraw/zinc/68/63/76/415686376.db2.gz YYEDOTCBOREYPN-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)NCc1cccnc1 ZINC000111214552 415689128 /nfs/dbraw/zinc/68/91/28/415689128.db2.gz VLGCIXGBOXDCOQ-UHFFFAOYSA-N 0 0 312.377 0.310 10 0 DCAERN CN1CCC[C@@H](C(=O)N2CC[C@H](Oc3ccccn3)C2)C1=O ZINC000333605126 415694251 /nfs/dbraw/zinc/69/42/51/415694251.db2.gz VTAMVGLAPPJRJP-QWHCGFSZSA-N 0 0 303.362 0.930 10 0 DCAERN COC(=O)c1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112660303 415713318 /nfs/dbraw/zinc/71/33/18/415713318.db2.gz CIQLVGZRGYTXSW-LBPRGKRZSA-N 0 0 300.318 0.810 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000120515769 415769330 /nfs/dbraw/zinc/76/93/30/415769330.db2.gz JGMAYSRRDLZHNL-QWRGUYRKSA-N 0 0 317.411 0.530 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000120515917 415770958 /nfs/dbraw/zinc/77/09/58/415770958.db2.gz JGMAYSRRDLZHNL-MNOVXSKESA-N 0 0 317.411 0.530 10 0 DCAERN CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)COC)cc1 ZINC000120580468 415773694 /nfs/dbraw/zinc/77/36/94/415773694.db2.gz MRDKUIPLKXQAQI-NSHDSACASA-N 0 0 314.407 0.884 10 0 DCAERN COc1ccsc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120585774 415776339 /nfs/dbraw/zinc/77/63/39/415776339.db2.gz BUJQHMOJRRVRLY-MRVPVSSYSA-N 0 0 314.392 0.642 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)ccc1F ZINC000354967426 415831624 /nfs/dbraw/zinc/83/16/24/415831624.db2.gz WYHUQMVKRVADJV-PJXYFTJBSA-N 0 0 306.293 0.728 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)[C@@H](C)CO ZINC000122986843 415838527 /nfs/dbraw/zinc/83/85/27/415838527.db2.gz HDZLOVCPRUBPFI-ZETCQYMHSA-N 0 0 305.352 0.684 10 0 DCAERN CCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@H]1CCOC1 ZINC000336814502 415819889 /nfs/dbraw/zinc/81/98/89/415819889.db2.gz FTOQEKWIMYKLJP-VIFPVBQESA-N 0 0 304.393 0.647 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000336834041 415824663 /nfs/dbraw/zinc/82/46/63/415824663.db2.gz HQAZSYPPXIVIOS-RYUDHWBXSA-N 0 0 301.412 0.866 10 0 DCAERN C[C@@H](CO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126263433 415875569 /nfs/dbraw/zinc/87/55/69/415875569.db2.gz RJPWYUKSGQBABB-QWRGUYRKSA-N 0 0 304.350 0.465 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)C[C@@H](C)O1 ZINC000128385222 415899173 /nfs/dbraw/zinc/89/91/73/415899173.db2.gz GRKDJLXGOGAGRV-UTUOFQBUSA-N 0 0 308.444 0.679 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCC[C@@H]1C(N)=O ZINC000129223829 415906606 /nfs/dbraw/zinc/90/66/06/415906606.db2.gz QBTVMONIPMZSSF-SMDDNHRTSA-N 0 0 306.362 0.813 10 0 DCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000129878449 415912713 /nfs/dbraw/zinc/91/27/13/415912713.db2.gz ARGGAKVDMVNYME-OLZOCXBDSA-N 0 0 312.414 0.016 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCN1CC(F)F ZINC000125200044 415861867 /nfs/dbraw/zinc/86/18/67/415861867.db2.gz BJWZBLGEMGWNBI-NSHDSACASA-N 0 0 314.336 0.791 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000125342077 415864569 /nfs/dbraw/zinc/86/45/69/415864569.db2.gz XMODOIUOKNQKCE-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN CN1C[C@@H](NC(=O)CCCNC(=O)c2ccsc2)CCC1=O ZINC000133415921 415947014 /nfs/dbraw/zinc/94/70/14/415947014.db2.gz HWCVEVXXHIXSTG-LBPRGKRZSA-N 0 0 323.418 0.995 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000133890960 415952548 /nfs/dbraw/zinc/95/25/48/415952548.db2.gz GFFVSBRQXWYEFW-NSHDSACASA-N 0 0 318.395 0.630 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134064065 415953492 /nfs/dbraw/zinc/95/34/92/415953492.db2.gz ZVTSSIPIBBJKTF-SNVBAGLBSA-N 0 0 314.411 0.275 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000151097035 415964046 /nfs/dbraw/zinc/96/40/46/415964046.db2.gz MVRTTZFYZRDXIV-GRYCIOLGSA-N 0 0 300.424 0.965 10 0 DCAERN CCc1noc(CC)c1CNC(=O)[C@H]1COCCN1C(C)=O ZINC000153474344 415980884 /nfs/dbraw/zinc/98/08/84/415980884.db2.gz VWPXNFGEFIVVFU-CYBMUJFWSA-N 0 0 309.366 0.663 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000153426329 415981183 /nfs/dbraw/zinc/98/11/83/415981183.db2.gz CKFZFCOXYLYJAQ-INIZCTEOSA-N 0 0 307.394 0.540 10 0 DCAERN O=C(C1CCCCC1)N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000153602413 415984262 /nfs/dbraw/zinc/98/42/62/415984262.db2.gz WQZAJRBXHDQLBT-AWEZNQCLSA-N 0 0 309.410 0.226 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000155046358 415992378 /nfs/dbraw/zinc/99/23/78/415992378.db2.gz ATISMYDKVDWVSL-JSGCOSHPSA-N 0 0 319.409 0.661 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000155186419 415994230 /nfs/dbraw/zinc/99/42/30/415994230.db2.gz YQGXPUFSUPUBLW-NSHDSACASA-N 0 0 306.370 0.531 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC)CC2 ZINC000158590952 415999635 /nfs/dbraw/zinc/99/96/35/415999635.db2.gz FVLPPALBQABTEW-WDEREUQCSA-N 0 0 320.397 0.075 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132999325 415938248 /nfs/dbraw/zinc/93/82/48/415938248.db2.gz XLVUSZHNFMBTNA-LLVKDONJSA-N 0 0 308.382 0.393 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1CCCC(C)(C)C1 ZINC000171837962 416041537 /nfs/dbraw/zinc/04/15/37/416041537.db2.gz USRMOXVOKIYDFU-UHFFFAOYSA-N 0 0 308.444 0.948 10 0 DCAERN CCOc1cccc(CCNS(=O)(=O)c2cnnn2C)c1 ZINC000357436121 416079484 /nfs/dbraw/zinc/07/94/84/416079484.db2.gz NKXTWVJSDZZSHN-UHFFFAOYSA-N 0 0 310.379 0.735 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000172427845 416045652 /nfs/dbraw/zinc/04/56/52/416045652.db2.gz MKLATCIWYQSTJM-PSASIEDQSA-N 0 0 302.334 0.630 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)C1 ZINC000172435334 416045898 /nfs/dbraw/zinc/04/58/98/416045898.db2.gz QSWFHVOOQOKABY-OLZOCXBDSA-N 0 0 303.362 0.577 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 ZINC000172909555 416048995 /nfs/dbraw/zinc/04/89/95/416048995.db2.gz MZOFXSLGVWTFJT-HNNXBMFYSA-N 0 0 316.405 0.850 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)Cn1cccn1 ZINC000173037220 416052084 /nfs/dbraw/zinc/05/20/84/416052084.db2.gz HORRFRWTIFPGQX-JHJVBQTASA-N 0 0 316.427 0.463 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCOC3)C2)cn1 ZINC000173182649 416053923 /nfs/dbraw/zinc/05/39/23/416053923.db2.gz UWYQKHPVXUGWCF-CHWSQXEVSA-N 0 0 307.398 0.867 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)[nH]1 ZINC000173537272 416059691 /nfs/dbraw/zinc/05/96/91/416059691.db2.gz DIPWIVYWFXTRMT-GFCCVEGCSA-N 0 0 304.354 0.596 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173869201 416068140 /nfs/dbraw/zinc/06/81/40/416068140.db2.gz GHANPIMNTYKAFI-SNPRPXQTSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@@H]1N1CCOCC1 ZINC000173862767 416068543 /nfs/dbraw/zinc/06/85/43/416068543.db2.gz AHBRBPJDSKYVPO-ZFWWWQNUSA-N 0 0 323.437 0.472 10 0 DCAERN COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)CCO1 ZINC000357431817 416080331 /nfs/dbraw/zinc/08/03/31/416080331.db2.gz CKUOTVLPTOUAJT-JSGCOSHPSA-N 0 0 306.362 0.679 10 0 DCAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCc1ccc(F)cc1 ZINC000173992341 416069995 /nfs/dbraw/zinc/06/99/95/416069995.db2.gz GVLSIJYFXYTNBJ-INIZCTEOSA-N 0 0 321.396 0.848 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCNC(C)=O ZINC000173925655 416070096 /nfs/dbraw/zinc/07/00/96/416070096.db2.gz LNVSECGBUHLMRO-CYBMUJFWSA-N 0 0 312.414 0.555 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC000174001260 416071421 /nfs/dbraw/zinc/07/14/21/416071421.db2.gz RLZJAOYXXMARDH-VIFPVBQESA-N 0 0 316.427 0.023 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCc3cc[nH]n3)C2)cn1 ZINC000174051281 416072173 /nfs/dbraw/zinc/07/21/73/416072173.db2.gz SCULQZONVDOQEX-GFCCVEGCSA-N 0 0 303.370 0.611 10 0 DCAERN O=C(NCc1cc[nH]n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000174056879 416072509 /nfs/dbraw/zinc/07/25/09/416072509.db2.gz XETWVHWYTUYKDJ-AWEZNQCLSA-N 0 0 307.398 0.806 10 0 DCAERN COC[C@]1(C)NC(=O)N(Cc2nc(-c3ccoc3)no2)C1=O ZINC000174138727 416074117 /nfs/dbraw/zinc/07/41/17/416074117.db2.gz LTOCEWPDLLHOAX-ZDUSSCGKSA-N 0 0 306.278 0.787 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1COc2ccccc21 ZINC000174379901 416077133 /nfs/dbraw/zinc/07/71/33/416077133.db2.gz ZLTHGJNQDHFDCN-GFCCVEGCSA-N 0 0 312.391 0.908 10 0 DCAERN CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000337733302 416002457 /nfs/dbraw/zinc/00/24/57/416002457.db2.gz PIAXGRIYXXONFQ-VXGBXAGGSA-N 0 0 304.412 0.580 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCc2cnccn2)CC1 ZINC000356911385 416004186 /nfs/dbraw/zinc/00/41/86/416004186.db2.gz ZQXGSARYONVLAU-UHFFFAOYSA-N 0 0 320.393 0.505 10 0 DCAERN CCN(CCCO)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000158930144 416005320 /nfs/dbraw/zinc/00/53/20/416005320.db2.gz QYPYMYUTXLORTR-UHFFFAOYSA-N 0 0 300.380 0.439 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000159104050 416006941 /nfs/dbraw/zinc/00/69/41/416006941.db2.gz MRYOIYKWVLHNGF-QMTHXVAHSA-N 0 0 321.425 0.888 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@@H]1CCCN1c1nccs1 ZINC000159106400 416007151 /nfs/dbraw/zinc/00/71/51/416007151.db2.gz DTXWIXICTUAQTP-OLZOCXBDSA-N 0 0 321.450 0.228 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC000356936178 416009203 /nfs/dbraw/zinc/00/92/03/416009203.db2.gz OXLCJISWPCGFEI-UHFFFAOYSA-N 0 0 314.345 0.561 10 0 DCAERN CNc1nnc(CC(=O)NC[C@@H](C)N2CCCCC2=O)s1 ZINC000356974937 416014585 /nfs/dbraw/zinc/01/45/85/416014585.db2.gz HHVMPTUXQVYRFV-SECBINFHSA-N 0 0 311.411 0.640 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000169071651 416025904 /nfs/dbraw/zinc/02/59/04/416025904.db2.gz NOLMMUZSDUPLLV-SNVBAGLBSA-N 0 0 324.324 0.825 10 0 DCAERN COC[C@]1(C)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O ZINC000170715393 416031138 /nfs/dbraw/zinc/03/11/38/416031138.db2.gz MJRBZHIZLFOFGT-FZMZJTMJSA-N 0 0 314.288 0.955 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N2CCCSCC2)cn1C ZINC000298858951 416034062 /nfs/dbraw/zinc/03/40/62/416034062.db2.gz PURQJODXMRUIKC-UHFFFAOYSA-N 0 0 317.436 0.512 10 0 DCAERN CCCCN(C)C(=O)C1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174702246 416084434 /nfs/dbraw/zinc/08/44/34/416084434.db2.gz WMKNDPARNZSOEA-UHFFFAOYSA-N 0 0 311.426 0.962 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000174750839 416085528 /nfs/dbraw/zinc/08/55/28/416085528.db2.gz VITCLXBEPBEINZ-KBPBESRZSA-N 0 0 301.431 0.661 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000175015912 416094355 /nfs/dbraw/zinc/09/43/55/416094355.db2.gz VJZSCYRURFJZTN-NSHDSACASA-N 0 0 324.410 0.424 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOC(C)C)C[C@@H]1C ZINC000175119260 416096797 /nfs/dbraw/zinc/09/67/97/416096797.db2.gz GCJJDIUSWQOITR-AWEZNQCLSA-N 0 0 322.471 0.784 10 0 DCAERN CS(=O)(=O)c1cccnc1N1CC[C@H](N2CCOCC2)C1 ZINC000302732584 416099162 /nfs/dbraw/zinc/09/91/62/416099162.db2.gz NEKQRDKLNOORRE-LBPRGKRZSA-N 0 0 311.407 0.396 10 0 DCAERN CNC(=O)c1cccc(CNc2nc3c(cnn3C)c(N)n2)c1 ZINC000302866047 416101798 /nfs/dbraw/zinc/10/17/98/416101798.db2.gz YJWUMPSUDOYGKA-UHFFFAOYSA-N 0 0 311.349 0.917 10 0 DCAERN Cc1cnc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000175293964 416101964 /nfs/dbraw/zinc/10/19/64/416101964.db2.gz HXAILMLCQNNBIN-ZDUSSCGKSA-N 0 0 306.366 0.398 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000312737990 416106538 /nfs/dbraw/zinc/10/65/38/416106538.db2.gz IQZTUKJMPISHAW-VHSXEESVSA-N 0 0 316.345 0.962 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCCOCC1 ZINC000313263299 416107900 /nfs/dbraw/zinc/10/79/00/416107900.db2.gz ZETNAGWNEDUIDE-TUAOUCFPSA-N 0 0 305.396 0.817 10 0 DCAERN CCc1cc(NC(=O)C(=O)Nc2c(C)nn(C)c2C)n(C)n1 ZINC000357627068 416108479 /nfs/dbraw/zinc/10/84/79/416108479.db2.gz KMGFPGCADDJRJA-UHFFFAOYSA-N 0 0 304.354 0.910 10 0 DCAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)CCCF)CCO2)c1 ZINC000175571054 416111120 /nfs/dbraw/zinc/11/11/20/416111120.db2.gz PFYYWRGMHGRVSJ-GFCCVEGCSA-N 0 0 305.375 0.582 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCc2cc(OC)ccc21 ZINC000176265608 416124467 /nfs/dbraw/zinc/12/44/67/416124467.db2.gz PHYKENXGEYPOSL-UHFFFAOYSA-N 0 0 312.391 0.866 10 0 DCAERN c1ccc(OC[C@H]2CN(c3ccc4nnnn4n3)CCO2)cc1 ZINC000357757415 416128060 /nfs/dbraw/zinc/12/80/60/416128060.db2.gz QHSKDUBGWZHLCX-CYBMUJFWSA-N 0 0 312.333 0.804 10 0 DCAERN CCOC[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC000176696004 416132897 /nfs/dbraw/zinc/13/28/97/416132897.db2.gz RDYVOSBYNAXYOR-GFCCVEGCSA-N 0 0 306.428 0.543 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCO4)C[C@@H]21 ZINC000328864502 416135858 /nfs/dbraw/zinc/13/58/58/416135858.db2.gz GCVBOBYMEZVIPW-QWHCGFSZSA-N 0 0 304.346 0.960 10 0 DCAERN CSCCN(C)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000176887639 416137143 /nfs/dbraw/zinc/13/71/43/416137143.db2.gz XFTXWZBTNHOAFL-UHFFFAOYSA-N 0 0 302.444 0.155 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176990695 416138461 /nfs/dbraw/zinc/13/84/61/416138461.db2.gz YLEUWDJMQCBJFT-CHWSQXEVSA-N 0 0 305.444 0.226 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@@H]21 ZINC000328931359 416139135 /nfs/dbraw/zinc/13/91/35/416139135.db2.gz BDIFZXBUWYXFKM-UONOGXRCSA-N 0 0 317.393 1.291 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000177192747 416142895 /nfs/dbraw/zinc/14/28/95/416142895.db2.gz QYZYFXDDZAGRDY-KGLIPLIRSA-N 0 0 319.409 0.973 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)no1 ZINC000177280296 416144808 /nfs/dbraw/zinc/14/48/08/416144808.db2.gz LBARWBOSHIPJTA-DGCLKSJQSA-N 0 0 308.382 0.574 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000177407685 416145003 /nfs/dbraw/zinc/14/50/03/416145003.db2.gz RERLSIMTHQMSEO-GFCCVEGCSA-N 0 0 317.349 0.318 10 0 DCAERN C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329206439 416157206 /nfs/dbraw/zinc/15/72/06/416157206.db2.gz YDUZKULIUOWRAX-XDQVBPFNSA-N 0 0 314.451 0.895 10 0 DCAERN O=c1c2c(F)cccc2ncn1C[C@@H](O)CN1CCOCC1 ZINC000177497640 416147031 /nfs/dbraw/zinc/14/70/31/416147031.db2.gz XLRXWJFNFSBDMZ-NSHDSACASA-N 0 0 307.325 0.229 10 0 DCAERN CC1(O)CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000177760838 416151146 /nfs/dbraw/zinc/15/11/46/416151146.db2.gz HRCOTOBOKYANLK-UHFFFAOYSA-N 0 0 304.350 0.260 10 0 DCAERN CC(=O)N1CCN(C(=O)CSc2nncs2)[C@H](C)C1 ZINC000357919111 416152739 /nfs/dbraw/zinc/15/27/39/416152739.db2.gz CFDDUSJRAWJWQP-MRVPVSSYSA-N 0 0 300.409 0.709 10 0 DCAERN C[C@@H](NC(=O)NCCn1cccn1)c1nnc2n1CCCC2 ZINC000177873814 416152913 /nfs/dbraw/zinc/15/29/13/416152913.db2.gz RJWUXAHWPRCZDU-LLVKDONJSA-N 0 0 303.370 0.871 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(C)C ZINC000178583997 416166601 /nfs/dbraw/zinc/16/66/01/416166601.db2.gz FXKZWPDWIGPZNA-GFCCVEGCSA-N 0 0 303.366 0.711 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1nc(-c2cnn(C)c2)oc1C)C(C)C ZINC000178681291 416169173 /nfs/dbraw/zinc/16/91/73/416169173.db2.gz WDXUZGADRPELNR-NSHDSACASA-N 0 0 319.365 0.884 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(C)C ZINC000178690007 416169187 /nfs/dbraw/zinc/16/91/87/416169187.db2.gz AOHPVACLNHMLKE-HNNXBMFYSA-N 0 0 323.368 0.371 10 0 DCAERN CNC(=O)[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(C)C ZINC000178690738 416169617 /nfs/dbraw/zinc/16/96/17/416169617.db2.gz KZRQPASFQILZAS-SMDDNHRTSA-N 0 0 311.426 0.958 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000178809542 416174864 /nfs/dbraw/zinc/17/48/64/416174864.db2.gz XQCUPLGJOIFEHQ-SNVBAGLBSA-N 0 0 307.354 0.017 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)co1 ZINC000178888709 416175492 /nfs/dbraw/zinc/17/54/92/416175492.db2.gz ORCCWPFPVOKUOV-JTQLQIEISA-N 0 0 302.352 0.439 10 0 DCAERN COC(=O)Nc1ccccc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178968780 416179141 /nfs/dbraw/zinc/17/91/41/416179141.db2.gz YWWNFTOCBZQSGM-GFCCVEGCSA-N 0 0 318.377 0.595 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000179244689 416184874 /nfs/dbraw/zinc/18/48/74/416184874.db2.gz DILJJASSELFEOM-NQBHXWOUSA-N 0 0 306.366 0.430 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000179354396 416187184 /nfs/dbraw/zinc/18/71/84/416187184.db2.gz NVXJKTUIHXIALB-UHFFFAOYSA-N 0 0 319.405 0.968 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cnns1 ZINC000183098433 416233763 /nfs/dbraw/zinc/23/37/63/416233763.db2.gz ICLDRHJWLKZYNF-SNVBAGLBSA-N 0 0 303.347 0.859 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CCC[C@@H]3CO)CC2)n1 ZINC000179625390 416190948 /nfs/dbraw/zinc/19/09/48/416190948.db2.gz KACNPQSCTVMPPD-CYBMUJFWSA-N 0 0 320.393 0.685 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCCCOCCO)s1 ZINC000180370177 416194878 /nfs/dbraw/zinc/19/48/78/416194878.db2.gz PFFIBTVCQIGRAN-UHFFFAOYSA-N 0 0 300.380 0.513 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)c1cccc(F)c1 ZINC000180394551 416195412 /nfs/dbraw/zinc/19/54/12/416195412.db2.gz PSTAADBFSOSAGE-HNNXBMFYSA-N 0 0 312.341 0.459 10 0 DCAERN CCc1cc(C(=O)Nc2cnn(CC(=O)OC)c2)cc(=O)[nH]1 ZINC000181402858 416206420 /nfs/dbraw/zinc/20/64/20/416206420.db2.gz DSAUKZDPCBSRKC-UHFFFAOYSA-N 0 0 304.306 0.559 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc(C3CC3)n[nH]2)cn1 ZINC000181417362 416208483 /nfs/dbraw/zinc/20/84/83/416208483.db2.gz GYFBEFYRIAKFIM-AWEZNQCLSA-N 0 0 300.366 0.807 10 0 DCAERN CCOC(=O)[C@H](NC(=O)Cn1nc(C)cc1C)[C@H]1CCCOC1 ZINC000358189378 416209200 /nfs/dbraw/zinc/20/92/00/416209200.db2.gz IDFODLQKOPNNHX-DZGCQCFKSA-N 0 0 323.393 0.974 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCc2ncoc2C)C1 ZINC000358204556 416212457 /nfs/dbraw/zinc/21/24/57/416212457.db2.gz AVPMKXGYMKEAFR-NSHDSACASA-N 0 0 322.365 0.116 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000182013876 416213226 /nfs/dbraw/zinc/21/32/26/416213226.db2.gz FFOJXQJCRSOYHZ-WFASDCNBSA-N 0 0 323.441 0.747 10 0 DCAERN CCCCCN(CC(N)=O)Cc1csc(CC(=O)NC)n1 ZINC000183059923 416234489 /nfs/dbraw/zinc/23/44/89/416234489.db2.gz IZUAMPCBPHTMCU-UHFFFAOYSA-N 0 0 312.439 0.909 10 0 DCAERN CC(C)c1nnc(CSCc2cc(=O)n(C)c(=O)n2C)n1C ZINC000182347600 416219829 /nfs/dbraw/zinc/21/98/29/416219829.db2.gz HFRADXHZXKVULF-UHFFFAOYSA-N 0 0 323.422 0.769 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000358272745 416220744 /nfs/dbraw/zinc/22/07/44/416220744.db2.gz ZDENTQYAVUJKJN-BXUZGUMPSA-N 0 0 319.423 0.464 10 0 DCAERN O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@H](CO)C1CC1 ZINC000358301680 416222461 /nfs/dbraw/zinc/22/24/61/416222461.db2.gz HCUNPSXAVJNQOR-ZDUSSCGKSA-N 0 0 323.368 0.760 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2cnc3nc(C)cc(C)n23)CCO1 ZINC000182433352 416223221 /nfs/dbraw/zinc/22/32/21/416223221.db2.gz YGSHXSFQNYQTCU-ZDUSSCGKSA-N 0 0 303.366 0.293 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@@H](O)C1 ZINC000182520987 416223822 /nfs/dbraw/zinc/22/38/22/416223822.db2.gz QSAUWYQEBUSTOM-KGLIPLIRSA-N 0 0 318.377 0.743 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)NC[C@H](CO)C1CC1 ZINC000358345494 416226054 /nfs/dbraw/zinc/22/60/54/416226054.db2.gz WZMWUZDARNIOGH-CQSZACIVSA-N 0 0 305.378 0.726 10 0 DCAERN O=C(Cc1csc(N2CCCC2=O)n1)NC[C@H](CO)C1CC1 ZINC000358343908 416226729 /nfs/dbraw/zinc/22/67/29/416226729.db2.gz UIELXLGUCYMCBG-LLVKDONJSA-N 0 0 323.418 0.947 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000358355581 416227792 /nfs/dbraw/zinc/22/77/92/416227792.db2.gz AMLUSKMKFRZGHB-GHMZBOCLSA-N 0 0 321.443 0.475 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cccc(-n2cccn2)n1 ZINC000182822012 416231857 /nfs/dbraw/zinc/23/18/57/416231857.db2.gz NRUHKDNLHVRIHB-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000182843058 416232378 /nfs/dbraw/zinc/23/23/78/416232378.db2.gz RGBZAHPMAUHBJI-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN Cc1noc([C@@H]2C[C@H](O)CN2CCC(=O)NC2CCCC2)n1 ZINC000357967884 416162227 /nfs/dbraw/zinc/16/22/27/416162227.db2.gz ZEUGIAZUVPWBGE-STQMWFEESA-N 0 0 308.382 0.935 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C(=O)Nc1nncs1)C1CC1 ZINC000178366509 416162464 /nfs/dbraw/zinc/16/24/64/416162464.db2.gz WFGNXIPWBXOVCZ-SSDOTTSWSA-N 0 0 304.397 0.968 10 0 DCAERN CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCO2)c1 ZINC000183625312 416246361 /nfs/dbraw/zinc/24/63/61/416246361.db2.gz STCNWVUBAFWIRO-UHFFFAOYSA-N 0 0 302.327 0.901 10 0 DCAERN O=C(CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1 ZINC000183575305 416247605 /nfs/dbraw/zinc/24/76/05/416247605.db2.gz OXCXQAODLVCTBP-GJZGRUSLSA-N 0 0 317.389 0.948 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000183973224 416250429 /nfs/dbraw/zinc/25/04/29/416250429.db2.gz HXQDCCWNRSJFBK-VIFPVBQESA-N 0 0 310.379 0.521 10 0 DCAERN Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2nccc(N)n2)o1 ZINC000349942806 416261709 /nfs/dbraw/zinc/26/17/09/416261709.db2.gz FWUFMKRHJOAZNB-QWRGUYRKSA-N 0 0 321.360 0.799 10 0 DCAERN Cc1nc(CN(C)C(=O)Nc2ccn(CC(F)F)n2)no1 ZINC000358642117 416263305 /nfs/dbraw/zinc/26/33/05/416263305.db2.gz WHWSVJOICLBFGZ-UHFFFAOYSA-N 0 0 300.269 1.504 10 0 DCAERN CN(CC(=O)NC[C@H]1CCC(C)(C)O1)c1ncnc2nc[nH]c21 ZINC000189606092 416268120 /nfs/dbraw/zinc/26/81/20/416268120.db2.gz UPMXLFNFGMOZCV-SNVBAGLBSA-N 0 0 318.381 0.863 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1nnc2n1CCCC2 ZINC000189957122 416273738 /nfs/dbraw/zinc/27/37/38/416273738.db2.gz CZDSDSLIBFYFFB-WOPDTQHZSA-N 0 0 323.397 0.467 10 0 DCAERN COc1cccc(CCNC(=O)N2CCN(C(C)=O)C[C@H]2C)n1 ZINC000359080803 416305566 /nfs/dbraw/zinc/30/55/66/416305566.db2.gz KAFIHJFLXWCLOP-GFCCVEGCSA-N 0 0 320.393 0.895 10 0 DCAERN CC(C)(CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1)C(N)=O ZINC000192598322 416307946 /nfs/dbraw/zinc/30/79/46/416307946.db2.gz ZQEQYUMLEQUQRH-UHFFFAOYSA-N 0 0 302.334 0.734 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192653579 416310443 /nfs/dbraw/zinc/31/04/43/416310443.db2.gz BDLXIPXZWGNYEI-ZWKOPEQDSA-N 0 0 312.391 0.936 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000193132006 416312449 /nfs/dbraw/zinc/31/24/49/416312449.db2.gz RBQFRMGVWRFNAU-JTQLQIEISA-N 0 0 310.375 0.646 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)sc1C ZINC000193324610 416315454 /nfs/dbraw/zinc/31/54/54/416315454.db2.gz ZZHIKYVPSSDMMS-XVKPBYJWSA-N 0 0 324.406 0.811 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000193925163 416320542 /nfs/dbraw/zinc/32/05/42/416320542.db2.gz SRHYVHSEZPJYMS-VXGBXAGGSA-N 0 0 318.377 0.749 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCNC(=O)N(C)C)cc1F ZINC000190540690 416279770 /nfs/dbraw/zinc/27/97/70/416279770.db2.gz KMOGAKQUYPTFDS-UHFFFAOYSA-N 0 0 324.356 0.714 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cnn1C ZINC000190767989 416280925 /nfs/dbraw/zinc/28/09/25/416280925.db2.gz RHPLQNTUSRJBLL-GFCCVEGCSA-N 0 0 316.365 0.555 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000190760117 416280976 /nfs/dbraw/zinc/28/09/76/416280976.db2.gz KTXKYCQPJKKELB-UHFFFAOYSA-N 0 0 312.289 0.284 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000190790529 416283240 /nfs/dbraw/zinc/28/32/40/416283240.db2.gz MTTWPTOASVETSC-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN COC(=O)c1ccccc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000358861047 416287410 /nfs/dbraw/zinc/28/74/10/416287410.db2.gz ZERNBCKNORLWSO-UHFFFAOYSA-N 0 0 316.317 0.462 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C1=O ZINC000358899300 416290873 /nfs/dbraw/zinc/29/08/73/416290873.db2.gz FXZJBYWRBODCKT-TZMCWYRMSA-N 0 0 317.389 0.930 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000191852186 416291240 /nfs/dbraw/zinc/29/12/40/416291240.db2.gz FROCVNCCUFPXFK-CQSZACIVSA-N 0 0 315.373 0.824 10 0 DCAERN C[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)CCN1CCO ZINC000191971680 416292925 /nfs/dbraw/zinc/29/29/25/416292925.db2.gz KNHOTENJITZIEY-SNVBAGLBSA-N 0 0 312.439 0.974 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)C1 ZINC000249860346 416334510 /nfs/dbraw/zinc/33/45/10/416334510.db2.gz QHAIVPNVXNQQKK-UPJWGTAASA-N 0 0 309.410 0.747 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)NCc1cn2c(n1)CCCC2 ZINC000263702715 416338624 /nfs/dbraw/zinc/33/86/24/416338624.db2.gz BZVYPCDUXADJCP-CYBMUJFWSA-N 0 0 321.425 0.739 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1C ZINC000265206031 416340906 /nfs/dbraw/zinc/34/09/06/416340906.db2.gz KGIFQEKIIFRNBS-UHFFFAOYSA-N 0 0 300.384 0.134 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)c2ccc(C(N)=O)nc2)no1 ZINC000359513607 416348888 /nfs/dbraw/zinc/34/88/88/416348888.db2.gz WNKHSLLIKPJSEB-QMMMGPOBSA-N 0 0 319.321 0.591 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000359522821 416349341 /nfs/dbraw/zinc/34/93/41/416349341.db2.gz FJQKMQHXCMPZOH-WDEREUQCSA-N 0 0 311.382 0.781 10 0 DCAERN COCC[C@](C)(O)CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000359680983 416352916 /nfs/dbraw/zinc/35/29/16/416352916.db2.gz RUBKNMKUWFYGAJ-HNNXBMFYSA-N 0 0 311.382 0.725 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000359680986 416353258 /nfs/dbraw/zinc/35/32/58/416353258.db2.gz RUBKNMKUWFYGAJ-OAHLLOKOSA-N 0 0 311.382 0.725 10 0 DCAERN C[C@H]1CN(c2ccnc(C(=O)NC(C)(C)C(N)=O)c2)C[C@H](C)O1 ZINC000194477724 416323314 /nfs/dbraw/zinc/32/33/14/416323314.db2.gz WNMDNODMIDLMKW-QWRGUYRKSA-N 0 0 320.393 0.689 10 0 DCAERN C[C@@H]1CN(c2ccnc(C(=O)NC(C)(C)C(N)=O)c2)C[C@H](C)O1 ZINC000194477713 416323843 /nfs/dbraw/zinc/32/38/43/416323843.db2.gz WNMDNODMIDLMKW-PHIMTYICSA-N 0 0 320.393 0.689 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCN(c2cccnn2)CC1 ZINC000195045779 416325292 /nfs/dbraw/zinc/32/52/92/416325292.db2.gz POAKWZHTQORRGD-UHFFFAOYSA-N 0 0 317.393 0.528 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515915 416326478 /nfs/dbraw/zinc/32/64/78/416326478.db2.gz ZWVVZLMMTWWRFQ-CHWSQXEVSA-N 0 0 320.393 0.493 10 0 DCAERN COC[C@H]1C[C@@H](NC(=O)Cc2cccc(OC)c2)[C@H](O)[C@@H]1O ZINC000225507855 416327790 /nfs/dbraw/zinc/32/77/90/416327790.db2.gz LIPOWDZWNBTUSK-CUBALJKWSA-N 0 0 309.362 0.111 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000237923221 416329096 /nfs/dbraw/zinc/32/90/96/416329096.db2.gz RCFXPGIHXFAQDB-UONOGXRCSA-N 0 0 312.316 0.853 10 0 DCAERN CC(C)(C)OC(=O)CN1NC[C@@H](NC(=O)OC(C)(C)C)C1=O ZINC000238118986 416329791 /nfs/dbraw/zinc/32/97/91/416329791.db2.gz CIZUXSGYEKKMDC-SECBINFHSA-N 0 0 315.370 0.568 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000245526467 416331398 /nfs/dbraw/zinc/33/13/98/416331398.db2.gz PHRSXQKAXVQTPB-JTQLQIEISA-N 0 0 303.388 0.155 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@@H](C(N)=O)O1 ZINC000246283890 416331724 /nfs/dbraw/zinc/33/17/24/416331724.db2.gz BAJWUXBRWSAMCQ-QPSCCSFWSA-N 0 0 323.437 0.742 10 0 DCAERN COc1ccc(-c2nc(CS(=O)(=O)c3nc[nH]n3)no2)cc1 ZINC000360090366 416370138 /nfs/dbraw/zinc/37/01/38/416370138.db2.gz ZFFMTXXGOCAUDW-UHFFFAOYSA-N 0 0 321.318 0.837 10 0 DCAERN COCn1nccc1S(=O)(=O)NCc1cnc(C)s1 ZINC000359821887 416360667 /nfs/dbraw/zinc/36/06/67/416360667.db2.gz XMPBZZNIENBBPG-UHFFFAOYSA-N 0 0 302.381 0.730 10 0 DCAERN O=C(CN1CCC[C@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283547 416384061 /nfs/dbraw/zinc/38/40/61/416384061.db2.gz ACJNJIOERWDPFB-ZDUSSCGKSA-N 0 0 322.361 0.827 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@](C)(CC)OC ZINC000360312235 416385311 /nfs/dbraw/zinc/38/53/11/416385311.db2.gz ZROOPOVUCUXLNC-ISTVAULSSA-N 0 0 302.371 0.374 10 0 DCAERN COc1ccc(NC(=O)[C@H](C)N2CC(=O)N(C)C2)c(OC)c1 ZINC000360490418 416392604 /nfs/dbraw/zinc/39/26/04/416392604.db2.gz KGFVMTPGPNPJAY-JTQLQIEISA-N 0 0 307.350 0.762 10 0 DCAERN Cc1ccsc1-c1nnc(NC(=O)CN2CC(=O)N(C)C2)o1 ZINC000360490790 416392683 /nfs/dbraw/zinc/39/26/83/416392683.db2.gz OZVMQHSFABRUPI-UHFFFAOYSA-N 0 0 321.362 0.777 10 0 DCAERN CN1CN(CC(=O)NCc2ccc(OC(F)F)cc2)CC1=O ZINC000360493568 416392991 /nfs/dbraw/zinc/39/29/91/416392991.db2.gz XSGYDYHXOWWAJP-UHFFFAOYSA-N 0 0 313.304 0.636 10 0 DCAERN CS(=O)(=O)CC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360546428 416395759 /nfs/dbraw/zinc/39/57/59/416395759.db2.gz VODBYWCQLVQEEP-ZDUSSCGKSA-N 0 0 313.375 0.337 10 0 DCAERN O=C(N1CCO[C@H](COc2ccccc2)C1)C1(O)CCOCC1 ZINC000360559881 416395985 /nfs/dbraw/zinc/39/59/85/416395985.db2.gz IDRQFILBNYIISE-HNNXBMFYSA-N 0 0 321.373 0.834 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000360694551 416404155 /nfs/dbraw/zinc/40/41/55/416404155.db2.gz IWVJYKZKISVTAE-SWLSCSKDSA-N 0 0 320.389 0.709 10 0 DCAERN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)C(=O)OC(C)(C)C ZINC000458392769 416463539 /nfs/dbraw/zinc/46/35/39/416463539.db2.gz OKIRNTMJJNKXEU-NSHDSACASA-N 0 0 314.382 0.281 10 0 DCAERN CC(C)n1cc([C@]2(O)CCCN(S(=O)(=O)C3CC3)C2)nn1 ZINC000583616459 416477218 /nfs/dbraw/zinc/47/72/18/416477218.db2.gz XHVFTGYHCIJSBX-ZDUSSCGKSA-N 0 0 314.411 0.635 10 0 DCAERN Cc1cc(F)ccc1CCNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458543592 416478745 /nfs/dbraw/zinc/47/87/45/416478745.db2.gz XEXBHFACJJMGKC-CQSZACIVSA-N 0 0 321.356 0.628 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC(C)(C)COCC)C1 ZINC000458535674 416479349 /nfs/dbraw/zinc/47/93/49/416479349.db2.gz AZANJUQBNVEQIC-LLVKDONJSA-N 0 0 300.403 0.905 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NCC[C@H]2CCCO2)CCN1C ZINC000583623559 416479954 /nfs/dbraw/zinc/47/99/54/416479954.db2.gz JICSZVZWGIFBHR-KGLIPLIRSA-N 0 0 321.425 0.987 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)Nc1cccc(N2CCOCC2)c1 ZINC000533170903 416479936 /nfs/dbraw/zinc/47/99/36/416479936.db2.gz AIZAWDFGZCTNJF-INIZCTEOSA-N 0 0 321.377 0.796 10 0 DCAERN Cc1cccn(CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)c1=O ZINC000583620050 416480380 /nfs/dbraw/zinc/48/03/80/416480380.db2.gz NGUYOURRVMLBIS-WFASDCNBSA-N 0 0 316.361 0.537 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000361097414 416421204 /nfs/dbraw/zinc/42/12/04/416421204.db2.gz QPXRYGOXPBVILU-MCIONIFRSA-N 0 0 312.410 0.681 10 0 DCAERN COC1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCCCC1 ZINC000458685168 416489889 /nfs/dbraw/zinc/48/98/89/416489889.db2.gz WAGDPLOFBKORSO-GFCCVEGCSA-N 0 0 311.386 0.288 10 0 DCAERN C/C=C/C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OCC ZINC000361531482 416445030 /nfs/dbraw/zinc/44/50/30/416445030.db2.gz AFTGXEKPWDERCX-TZNOJPMFSA-N 0 0 310.350 0.540 10 0 DCAERN C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCSC[C@@H]1CCO ZINC000535455864 416521590 /nfs/dbraw/zinc/52/15/90/416521590.db2.gz HSQXWDIPNGSBSR-JQWIXIFHSA-N 0 0 308.469 0.761 10 0 DCAERN O=C([C@H]1CC[C@H](C(F)(F)F)NC1=O)N1CC(n2ccnn2)C1 ZINC000361926061 416524388 /nfs/dbraw/zinc/52/43/88/416524388.db2.gz VBHCGQJCNLWADZ-DTWKUNHWSA-N 0 0 317.271 0.119 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cn(C)c2ccc(F)cc12 ZINC000435836658 416537936 /nfs/dbraw/zinc/53/79/36/416537936.db2.gz QJWQZSHILUVFEW-UHFFFAOYSA-N 0 0 313.354 0.596 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000534256691 416494400 /nfs/dbraw/zinc/49/44/00/416494400.db2.gz GZLMCWBPGBUNBA-DTWKUNHWSA-N 0 0 323.319 0.075 10 0 DCAERN CN1CCN(C[C@H](O)COC[C@H]2CCCO2)c2cccnc21 ZINC000540865147 416595194 /nfs/dbraw/zinc/59/51/94/416595194.db2.gz CGZKZZFDEOSHOX-UONOGXRCSA-N 0 0 307.394 0.894 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000365694624 416606294 /nfs/dbraw/zinc/60/62/94/416606294.db2.gz DAZDJLRFLPSHCA-NDBYEHHHSA-N 0 0 300.424 0.963 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000362669005 416568766 /nfs/dbraw/zinc/56/87/66/416568766.db2.gz SWQPAXVWEJOCPR-WDEREUQCSA-N 0 0 320.393 1.531 10 0 DCAERN COCc1nn(Cc2noc(-c3ccccc3O)n2)c(=O)o1 ZINC000436818303 416572063 /nfs/dbraw/zinc/57/20/63/416572063.db2.gz KFWIBNRQSVVYGJ-UHFFFAOYSA-N 0 0 304.262 0.787 10 0 DCAERN COCCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000366084365 416617216 /nfs/dbraw/zinc/61/72/16/416617216.db2.gz MAIFAXLVCYKPLH-INIZCTEOSA-N 0 0 323.393 0.784 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@H](O)COCC2CC2)n1 ZINC000542433428 416624753 /nfs/dbraw/zinc/62/47/53/416624753.db2.gz JGBLSHNIPNDQQD-NSHDSACASA-N 0 0 311.386 0.942 10 0 DCAERN CN(C[C@H]1CC=CCC1)C(=O)Cn1ncn2nccc2c1=O ZINC000543194837 416638147 /nfs/dbraw/zinc/63/81/47/416638147.db2.gz GEFDUCBLQXBMJA-LBPRGKRZSA-N 0 0 301.350 0.706 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CCN1C ZINC000442292210 416690514 /nfs/dbraw/zinc/69/05/14/416690514.db2.gz FBJJUZNJYCFMCQ-NEPJUHHUSA-N 0 0 319.409 0.637 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC(Nc3cccnn3)CC2)CC1 ZINC000548748028 416691278 /nfs/dbraw/zinc/69/12/78/416691278.db2.gz BOIIYTUEZLVTKF-UHFFFAOYSA-N 0 0 317.393 0.748 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000368818549 416694500 /nfs/dbraw/zinc/69/45/00/416694500.db2.gz QFKAJXFKIIUKRS-CQSZACIVSA-N 0 0 317.389 0.844 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000442578874 416697967 /nfs/dbraw/zinc/69/79/67/416697967.db2.gz VKGXAOOHSVWDCD-UTUOFQBUSA-N 0 0 310.398 0.354 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)NCCOCC2CCC2)cc1 ZINC000515419971 416700779 /nfs/dbraw/zinc/70/07/79/416700779.db2.gz ZMAAVJAJSBREJI-UHFFFAOYSA-N 0 0 312.391 0.881 10 0 DCAERN COCc1cncc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)c1 ZINC000614889734 416721013 /nfs/dbraw/zinc/72/10/13/416721013.db2.gz POVGZIMEQCYBGN-QWHCGFSZSA-N 0 0 308.334 0.367 10 0 DCAERN CN(CCCO)C(=O)CSc1nnnn1CC(F)(F)F ZINC000442998018 416724428 /nfs/dbraw/zinc/72/44/28/416724428.db2.gz HZOFSSHBHJKZKD-UHFFFAOYSA-N 0 0 313.305 0.168 10 0 DCAERN CC1C[C@@H](C(=O)N(C)CCCO)[C@H](C(=O)N(C)CCCO)C1 ZINC000442990803 416724820 /nfs/dbraw/zinc/72/48/20/416724820.db2.gz KOGPHKRHXVYVPS-ZIAGYGMSSA-N 0 0 314.426 0.330 10 0 DCAERN CN(CCCO)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000369123173 416726305 /nfs/dbraw/zinc/72/63/05/416726305.db2.gz YMKISUSPUGCEDB-CQSZACIVSA-N 0 0 317.455 0.218 10 0 DCAERN Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N(C)CCCO ZINC000443348514 416755368 /nfs/dbraw/zinc/75/53/68/416755368.db2.gz BGNQNJCYNIHWSE-UHFFFAOYSA-N 0 0 318.333 0.824 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)COc1cnn(C)c1)CC2 ZINC000558626753 416780184 /nfs/dbraw/zinc/78/01/84/416780184.db2.gz JCYYQUNMCOLBMF-UONOGXRCSA-N 0 0 323.393 0.577 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCCC[C@H]1c1ccnn1C ZINC000369746784 416824715 /nfs/dbraw/zinc/82/47/15/416824715.db2.gz YTFBXDHCPWHJFB-ZDUSSCGKSA-N 0 0 316.427 0.770 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC[C@H]1CCCO1 ZINC000623352532 416807626 /nfs/dbraw/zinc/80/76/26/416807626.db2.gz FLMNODNFBKDWLY-LLVKDONJSA-N 0 0 313.398 0.091 10 0 DCAERN C(C1CCOCC1)n1nnnc1CN1CCO[C@]2(CCOC2)C1 ZINC000444686951 416858821 /nfs/dbraw/zinc/85/88/21/416858821.db2.gz YIQJQNRCUJGIEL-OAHLLOKOSA-N 0 0 323.397 0.091 10 0 DCAERN c1nc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)cs1 ZINC000623652768 416863066 /nfs/dbraw/zinc/86/30/66/416863066.db2.gz PDVQLMHWEGPDDC-JTQLQIEISA-N 0 0 301.379 0.949 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444795084 416870869 /nfs/dbraw/zinc/87/08/69/416870869.db2.gz LSPFWBVAQLXXQP-ZDUSSCGKSA-N 0 0 302.440 0.754 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCN1CCCS1(=O)=O ZINC000615628567 416873737 /nfs/dbraw/zinc/87/37/37/416873737.db2.gz BEJVRYLBDJFIDY-XQQFMLRXSA-N 0 0 316.423 0.295 10 0 DCAERN CCOCCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370056799 416874889 /nfs/dbraw/zinc/87/48/89/416874889.db2.gz SKCCLXUNDMLRPZ-CYBMUJFWSA-N 0 0 313.398 0.492 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)OC ZINC000615647148 416880810 /nfs/dbraw/zinc/88/08/10/416880810.db2.gz FXMPAKVMTWVEPA-IUCAKERBSA-N 0 0 311.338 0.588 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632201701 416956901 /nfs/dbraw/zinc/95/69/01/416956901.db2.gz WUIMCASZPICUIQ-QMMMGPOBSA-N 0 0 306.365 0.217 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CC1(C)C ZINC000445992417 416907481 /nfs/dbraw/zinc/90/74/81/416907481.db2.gz PJAUOZHLKCWROY-PSASIEDQSA-N 0 0 300.384 0.002 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@@H](O)C(C)(C)C2)n1 ZINC000446188812 416917604 /nfs/dbraw/zinc/91/76/04/416917604.db2.gz XTCBHIBKNQKVJC-SNVBAGLBSA-N 0 0 323.397 0.591 10 0 DCAERN CCc1nc(C)c(NC(=O)Nc2ccn(CC(N)=O)n2)s1 ZINC000446486239 416929690 /nfs/dbraw/zinc/92/96/90/416929690.db2.gz URPGFOJHCPAHJR-UHFFFAOYSA-N 0 0 308.367 1.340 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000446636645 416937484 /nfs/dbraw/zinc/93/74/84/416937484.db2.gz GUUYBUORNOUHRH-ZBEGNZNMSA-N 0 0 320.345 0.253 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cc(C(N)=O)co2)[C@@H](C)C1 ZINC000430243069 417019417 /nfs/dbraw/zinc/01/94/17/417019417.db2.gz UEMLKQLPVLPOSP-VIFPVBQESA-N 0 0 308.338 0.141 10 0 DCAERN CCOC(=O)CN(C1CCC1)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447755779 417023455 /nfs/dbraw/zinc/02/34/55/417023455.db2.gz UNRGKKZUQPSGCG-SNVBAGLBSA-N 0 0 320.411 0.211 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@](F)(CO)C1 ZINC000376516481 417031654 /nfs/dbraw/zinc/03/16/54/417031654.db2.gz BGGFIUCWRSNDFU-ZWNOBZJWSA-N 0 0 324.418 0.273 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCn4nc(C)nc4C3)C2=O)n(C)n1 ZINC000374054186 416972628 /nfs/dbraw/zinc/97/26/28/416972628.db2.gz MXVSOWVGEZRVDH-LBPRGKRZSA-N 0 0 315.381 0.250 10 0 DCAERN COC(=O)CC1(NC(=O)C(=O)Nc2c(C)nn(C)c2C)CCC1 ZINC000447292832 416981752 /nfs/dbraw/zinc/98/17/52/416981752.db2.gz RTYJMFVMJZHTQZ-UHFFFAOYSA-N 0 0 322.365 0.577 10 0 DCAERN CN(CCS(=O)(=O)c1ccc(F)cc1)Cc1nnnn1C ZINC000447856483 417033948 /nfs/dbraw/zinc/03/39/48/417033948.db2.gz RCGPGTCJQPRDIN-UHFFFAOYSA-N 0 0 313.358 0.255 10 0 DCAERN Cc1cc(C)n(-c2ccc(N3CCN4CCOC[C@@H]4C3)nn2)n1 ZINC000374914710 416990540 /nfs/dbraw/zinc/99/05/40/416990540.db2.gz SOILWKHCYMSREN-AWEZNQCLSA-N 0 0 314.393 0.800 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2cccnn2)c1 ZINC000447343326 416992089 /nfs/dbraw/zinc/99/20/89/416992089.db2.gz ZDUYZANCUNYLHA-UHFFFAOYSA-N 0 0 304.281 0.879 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000565627029 416999728 /nfs/dbraw/zinc/99/97/28/416999728.db2.gz ORWQPCAYUAOXQJ-RQJABVFESA-N 0 0 321.439 0.050 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000448840759 417101556 /nfs/dbraw/zinc/10/15/56/417101556.db2.gz NLCLIIITRVJBRF-ZDUSSCGKSA-N 0 0 324.450 0.945 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000521968318 417037443 /nfs/dbraw/zinc/03/74/43/417037443.db2.gz LBRBVOOYUSXHAV-LLVKDONJSA-N 0 0 319.365 0.249 10 0 DCAERN c1cnc(-c2ccnc(N3CCN(c4nccnn4)CC3)n2)cn1 ZINC000624444845 417037968 /nfs/dbraw/zinc/03/79/68/417037968.db2.gz PMAFHHHYJJWICY-UHFFFAOYSA-N 0 0 321.348 0.445 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CCC(C)(C)O)CC1 ZINC000522056259 417047539 /nfs/dbraw/zinc/04/75/39/417047539.db2.gz UDGXMTSYGOPXEW-UHFFFAOYSA-N 0 0 300.399 0.633 10 0 DCAERN COC(=O)c1nc(NCC(=O)NCC(F)(F)F)sc1C ZINC000393669645 417102884 /nfs/dbraw/zinc/10/28/84/417102884.db2.gz RMFCAEHLUONFOZ-UHFFFAOYSA-N 0 0 311.285 1.329 10 0 DCAERN CN1CCOC[C@H]1CNc1cnn(C)c(=O)c1Br ZINC000624620073 417067763 /nfs/dbraw/zinc/06/77/63/417067763.db2.gz UQKPLTRQZMPCOO-MRVPVSSYSA-N 0 0 317.187 0.285 10 0 DCAERN c1cc(-c2nc(-c3cncnc3)no2)nc(N2CCOCC2)n1 ZINC000624660979 417078640 /nfs/dbraw/zinc/07/86/40/417078640.db2.gz FQUDOOQXERCVMF-UHFFFAOYSA-N 0 0 311.305 0.820 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616597881 417083644 /nfs/dbraw/zinc/08/36/44/417083644.db2.gz HDDULWJHQZKCHC-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CC(=O)Nc1ccccc1[C@H]1COCCCN1S(N)(=O)=O ZINC000616597733 417084724 /nfs/dbraw/zinc/08/47/24/417084724.db2.gz RBNCMOPJGBMDOT-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN Nc1cc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)[nH]n1 ZINC000616603338 417085201 /nfs/dbraw/zinc/08/52/01/417085201.db2.gz LYRGPIJBNUBGLH-GFCCVEGCSA-N 0 0 308.363 0.754 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@@H](C)[C@H]1C ZINC000380378263 417085721 /nfs/dbraw/zinc/08/57/21/417085721.db2.gz KXSQRNOMXSILFD-KXNHARMFSA-N 0 0 305.396 0.767 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1cncnc1 ZINC000616639495 417086176 /nfs/dbraw/zinc/08/61/76/417086176.db2.gz PFKHCOYWNWQRJG-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN Nc1n[nH]cc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616638160 417086412 /nfs/dbraw/zinc/08/64/12/417086412.db2.gz GGHRYYIFVVEIBI-LBPRGKRZSA-N 0 0 307.379 0.327 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CCCN(c2cccnn2)CC1 ZINC000523571933 417086584 /nfs/dbraw/zinc/08/65/84/417086584.db2.gz JLRDUWJOVOYKBL-GFCCVEGCSA-N 0 0 312.395 0.107 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616663236 417090487 /nfs/dbraw/zinc/09/04/87/417090487.db2.gz IJYVUAWHYKNIHU-LLVKDONJSA-N 0 0 308.363 0.249 10 0 DCAERN O=C(NCCn1ccnn1)c1nscc1Br ZINC000404786319 417120099 /nfs/dbraw/zinc/12/00/99/417120099.db2.gz MFOFFVMYPUMLKS-UHFFFAOYSA-N 0 0 302.157 0.927 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1nscc1Br ZINC000404846107 417120717 /nfs/dbraw/zinc/12/07/17/417120717.db2.gz DNXYYXQIWAUVGL-LURJTMIESA-N 0 0 320.168 0.232 10 0 DCAERN CC(C)c1noc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000431422229 417125286 /nfs/dbraw/zinc/12/52/86/417125286.db2.gz ZVYJPCWEOQIMLK-VIFPVBQESA-N 0 0 305.342 0.725 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408019214 417134284 /nfs/dbraw/zinc/13/42/84/417134284.db2.gz XEZRHGVLGQUDIT-SDDRHHMPSA-N 0 0 304.412 0.461 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000408040752 417138328 /nfs/dbraw/zinc/13/83/28/417138328.db2.gz CXZNVFQHFJIHGQ-OUAUKWLOSA-N 0 0 306.370 0.327 10 0 DCAERN CCO[C@H](C)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051849 417138423 /nfs/dbraw/zinc/13/84/23/417138423.db2.gz JDRSBXWKBXWRKL-UTUOFQBUSA-N 0 0 302.346 0.209 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3ncc(C)cc3O)CCN2C)n1 ZINC000408063569 417138492 /nfs/dbraw/zinc/13/84/92/417138492.db2.gz RDMJTAUXJJMMTB-NSHDSACASA-N 0 0 317.349 0.916 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408079796 417139497 /nfs/dbraw/zinc/13/94/97/417139497.db2.gz ASORPLSUSJLQBY-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@H](O)C[C@@H]1CCCCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408105828 417140733 /nfs/dbraw/zinc/14/07/33/417140733.db2.gz QTYZPNSPNBPHOQ-RYUDHWBXSA-N 0 0 306.428 0.420 10 0 DCAERN Cc1cc(N)nc(SC[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000408145295 417144438 /nfs/dbraw/zinc/14/44/38/417144438.db2.gz GWNJPQKLIDXTQV-VIFPVBQESA-N 0 0 302.425 0.741 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408201364 417147562 /nfs/dbraw/zinc/14/75/62/417147562.db2.gz DWOHZQICGZBHTO-BARDWOONSA-N 0 0 323.437 0.470 10 0 DCAERN O=C(NC[C@H]1Cc2ccccc2O1)N1CCN2CCOC[C@@H]2C1 ZINC000568566540 417150872 /nfs/dbraw/zinc/15/08/72/417150872.db2.gz MAYHQOVSFQQPBS-LSDHHAIUSA-N 0 0 317.389 0.716 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCc2cnccn2)C1 ZINC000525917288 417160205 /nfs/dbraw/zinc/16/02/05/417160205.db2.gz GHBVJEUQYJUCPE-GFCCVEGCSA-N 0 0 306.370 0.122 10 0 DCAERN C[C@@H](CNC(=O)c1cn2cccnc2n1)N1CCCCC1=O ZINC000526016228 417171201 /nfs/dbraw/zinc/17/12/01/417171201.db2.gz RJSMENKZZGZUSD-NSHDSACASA-N 0 0 301.350 0.860 10 0 DCAERN Cc1c(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)cnn1C ZINC000568847172 417183616 /nfs/dbraw/zinc/18/36/16/417183616.db2.gz NSMMMULRAKSVKA-VXGBXAGGSA-N 0 0 311.407 0.918 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000449916848 417185258 /nfs/dbraw/zinc/18/52/58/417185258.db2.gz CBJROARGQJZNAU-OCCSQVGLSA-N 0 0 319.409 0.616 10 0 DCAERN CC1(C)CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@@]2(CCOC2)O1 ZINC000527026394 417203722 /nfs/dbraw/zinc/20/37/22/417203722.db2.gz GIDKNJFIFNUYAK-YVEFUNNKSA-N 0 0 322.405 0.794 10 0 DCAERN COc1cc(NC(=O)CCC(=O)NCCNC(C)=O)ccc1O ZINC000438102928 287367404 /nfs/dbraw/zinc/36/74/04/287367404.db2.gz XJZBXNOZCOSPIQ-UHFFFAOYSA-N 0 0 323.349 0.372 10 0 DCAERN COc1ccc(NC(=O)N[C@H]2CCCc3nn(C)cc32)nn1 ZINC000568671374 417163635 /nfs/dbraw/zinc/16/36/35/417163635.db2.gz NBTZCNBENYVOPS-JTQLQIEISA-N 0 0 302.338 1.418 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000632930867 417296675 /nfs/dbraw/zinc/29/66/75/417296675.db2.gz GBZDHNWESPUTMJ-RWMBFGLXSA-N 0 0 300.399 0.272 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000632916217 417293558 /nfs/dbraw/zinc/29/35/58/417293558.db2.gz WKXDPTUTURGFEL-ILXRZTDVSA-N 0 0 324.421 0.681 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)CCOCC(C)C)CC1 ZINC000438212904 287367629 /nfs/dbraw/zinc/36/76/29/287367629.db2.gz HYFDLPDEMLZLEB-CQSZACIVSA-N 0 0 301.383 0.822 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cn3cccnc3n2)CC12COC2 ZINC000451131909 417301964 /nfs/dbraw/zinc/30/19/64/417301964.db2.gz HUBAMTMITUUSKS-CYBMUJFWSA-N 0 0 316.361 0.741 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129618 417303183 /nfs/dbraw/zinc/30/31/83/417303183.db2.gz DEIFQZRBVVVCAJ-NSHDSACASA-N 0 0 308.382 0.940 10 0 DCAERN CC[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000570117268 417313673 /nfs/dbraw/zinc/31/36/73/417313673.db2.gz LTLKWYBTSARPFU-OLZOCXBDSA-N 0 0 321.421 0.905 10 0 DCAERN C[C@@H](O)CC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451280076 417327659 /nfs/dbraw/zinc/32/76/59/417327659.db2.gz UBVGNOADBVLGAL-GFCCVEGCSA-N 0 0 315.439 0.473 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000570967401 417409469 /nfs/dbraw/zinc/40/94/69/417409469.db2.gz DNAOIACFJKEDLY-VIFPVBQESA-N 0 0 305.306 0.270 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC(CO)(c2ccccc2)C1)C(C)C ZINC000571026239 417415775 /nfs/dbraw/zinc/41/57/75/417415775.db2.gz FOAFBWGFSSUWGZ-HNNXBMFYSA-N 0 0 304.390 0.920 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000633434495 417426971 /nfs/dbraw/zinc/42/69/71/417426971.db2.gz NTZAEJKRZAMAMO-HIFRSBDPSA-N 0 0 317.345 0.861 10 0 DCAERN Cc1cc(C(=O)NCc2nnn(C)n2)c(C)n1[C@@H]1CCOC1 ZINC000529203043 417427577 /nfs/dbraw/zinc/42/75/77/417427577.db2.gz LVQJEYSTFMDRAR-LLVKDONJSA-N 0 0 304.354 0.520 10 0 DCAERN O=C(N[C@H]1C[C@@H](CO)C1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000633833941 417491588 /nfs/dbraw/zinc/49/15/88/417491588.db2.gz SUQCXCGBDMLFCR-LMLFDSFASA-N 0 0 311.300 0.858 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](O)CCSC)CC12COC2 ZINC000452617682 417493433 /nfs/dbraw/zinc/49/34/33/417493433.db2.gz UWBFHPOGJFRGFT-QWRGUYRKSA-N 0 0 317.407 0.139 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C(C)=O)[nH]2)CC12COC2 ZINC000452220562 417459836 /nfs/dbraw/zinc/45/98/36/417459836.db2.gz KRSZNUIMBKAPRU-NSHDSACASA-N 0 0 320.345 0.869 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC12COC2 ZINC000452258824 417461574 /nfs/dbraw/zinc/46/15/74/417461574.db2.gz IVHXRDCJDQIWHG-CQSZACIVSA-N 0 0 324.421 0.756 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2CCC(O)CC2)CC12COC2 ZINC000452254614 417461614 /nfs/dbraw/zinc/46/16/14/417461614.db2.gz GATOVTNZQWQBER-WXRRBKDZSA-N 0 0 311.378 0.576 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCCn3nccc32)[C@@H](C)C1 ZINC000633599119 417462420 /nfs/dbraw/zinc/46/24/20/417462420.db2.gz CFJAUWOHSSFBJL-WCQYABFASA-N 0 0 305.382 0.980 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C)nn2C)CC12COC2 ZINC000452261035 417462657 /nfs/dbraw/zinc/46/26/57/417462657.db2.gz LCIYOWNNTWWQNV-NSHDSACASA-N 0 0 307.350 0.380 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](CC)C(=O)OC)CC12COC2 ZINC000452265398 417464649 /nfs/dbraw/zinc/46/46/49/417464649.db2.gz QGIVKJXUDWZNHQ-MNOVXSKESA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cccc(O)c2)CC12COC2 ZINC000452265525 417465145 /nfs/dbraw/zinc/46/51/45/417465145.db2.gz QQNHVCKVABEHTC-CQSZACIVSA-N 0 0 319.357 0.973 10 0 DCAERN CCOc1ncccc1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000644305814 417532874 /nfs/dbraw/zinc/53/28/74/417532874.db2.gz GKNTUZNYTCVFJC-GFCCVEGCSA-N 0 0 307.350 0.792 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cccc1N(C)C ZINC000453926555 417537351 /nfs/dbraw/zinc/53/73/51/417537351.db2.gz YGGRMEBJSHDIJQ-JTQLQIEISA-N 0 0 318.377 0.346 10 0 DCAERN O=C1CC(=O)[C@@H](c2ncc(I)s2)N1 ZINC000575515631 417540302 /nfs/dbraw/zinc/54/03/02/417540302.db2.gz RQACQWWHXXALJC-LURJTMIESA-N 0 0 308.100 0.878 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000627988298 417549163 /nfs/dbraw/zinc/54/91/63/417549163.db2.gz PNDHNOCVQDNMSR-BJHJDKERSA-N 0 0 317.345 0.550 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000627776273 417504287 /nfs/dbraw/zinc/50/42/87/417504287.db2.gz VUNWEIFIQDRGEU-KGLIPLIRSA-N 0 0 320.345 0.484 10 0 DCAERN CCN(CC)C(=O)CS(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453032431 417519689 /nfs/dbraw/zinc/51/96/89/417519689.db2.gz IWJOIMZRLRDEQK-UHFFFAOYSA-N 0 0 320.392 0.572 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)Nc2nc(C)no2)no1 ZINC000455115550 417594090 /nfs/dbraw/zinc/59/40/90/417594090.db2.gz RBYFFHGPXHXZAW-UHFFFAOYSA-N 0 0 309.282 0.631 10 0 DCAERN Cc1ncc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c(N)n1 ZINC000576304688 417598380 /nfs/dbraw/zinc/59/83/80/417598380.db2.gz YKMIDJQBIRDVCZ-VIFPVBQESA-N 0 0 314.271 1.134 10 0 DCAERN NS(=O)(=O)c1cccnc1NC[C@@H](CO)c1ccccc1 ZINC000531153558 417609501 /nfs/dbraw/zinc/60/95/01/417609501.db2.gz XOZSOVIOJRIOQM-LBPRGKRZSA-N 0 0 307.375 0.917 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H](C)CSC)CC12COC2 ZINC000454552940 417568142 /nfs/dbraw/zinc/56/81/42/417568142.db2.gz ZNJDFPRKEDRUSW-GHMZBOCLSA-N 0 0 316.423 0.959 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCn2ccnc2)CC12COC2 ZINC000454620492 417569705 /nfs/dbraw/zinc/56/97/05/417569705.db2.gz OPWZIEXSTRIAKC-LBPRGKRZSA-N 0 0 322.365 0.104 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCn2cccn2)CC12COC2 ZINC000454632135 417569788 /nfs/dbraw/zinc/56/97/88/417569788.db2.gz OTJGQGOJQGOCDJ-GFCCVEGCSA-N 0 0 322.365 0.104 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCc1ccoc1 ZINC000628086435 417571067 /nfs/dbraw/zinc/57/10/67/417571067.db2.gz LWJUXVFUJLBEGL-UHFFFAOYSA-N 0 0 323.393 0.748 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)[C@H]1CCOC1 ZINC000440191792 287394089 /nfs/dbraw/zinc/39/40/89/287394089.db2.gz RWMSZWOYEOFTKY-MNOVXSKESA-N 0 0 306.366 0.627 10 0 DCAERN c1[nH]nc(-c2cccnc2)c1CN1CCN(c2nccnn2)CC1 ZINC000628386712 417617482 /nfs/dbraw/zinc/61/74/82/417617482.db2.gz FLKRDEJHVGVLFW-UHFFFAOYSA-N 0 0 322.376 0.979 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261846 287395847 /nfs/dbraw/zinc/39/58/47/287395847.db2.gz AJLUOKLCAHRVMT-LLVKDONJSA-N 0 0 305.382 0.249 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H](O)C3CCOCC3)[C@H]2C1 ZINC000576769999 417636809 /nfs/dbraw/zinc/63/68/09/417636809.db2.gz URHFQJQGLXYQIK-VGWMRTNUSA-N 0 0 324.421 0.537 10 0 DCAERN C[C@@H](Cc1ccccc1F)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457984195 417714585 /nfs/dbraw/zinc/71/45/85/417714585.db2.gz WTMVXQXVQUBSOW-AAEUAGOBSA-N 0 0 321.356 0.709 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458118411 417721409 /nfs/dbraw/zinc/72/14/09/417721409.db2.gz AZCGETJUBJNVHD-LBPRGKRZSA-N 0 0 324.768 0.796 10 0 DCAERN O=C(CCCOc1cccc(F)c1)NC[C@@H](O)Cn1ccnn1 ZINC000458148227 417725060 /nfs/dbraw/zinc/72/50/60/417725060.db2.gz SZJWCFGSIYZNCO-CYBMUJFWSA-N 0 0 322.340 0.754 10 0 DCAERN C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148689 417725068 /nfs/dbraw/zinc/72/50/68/417725068.db2.gz TZMQBGOEFQUUAZ-FZMZJTMJSA-N 0 0 306.341 0.773 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)C1COC1 ZINC000657145531 417823624 /nfs/dbraw/zinc/82/36/24/417823624.db2.gz MMVWANONZIAICS-CMPLNLGQSA-N 0 0 315.395 0.299 10 0 DCAERN O=C1CC[C@H](Nc2cc(CO)c(F)cn2)[C@@H]([C@@H]2CCCO2)N1 ZINC000663916703 418066303 /nfs/dbraw/zinc/06/63/03/418066303.db2.gz YTDJVMAQIKNZEC-HUBLWGQQSA-N 0 0 309.341 0.951 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncncc1Br ZINC000664272236 418107665 /nfs/dbraw/zinc/10/76/65/418107665.db2.gz ZYFZCOLHRXLECQ-SFYZADRCSA-N 0 0 322.184 0.463 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000664271147 418107998 /nfs/dbraw/zinc/10/79/98/418107998.db2.gz JRUKIERBTNZMNV-UHNVWZDZSA-N 0 0 317.314 0.781 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000467308831 287515521 /nfs/dbraw/zinc/51/55/21/287515521.db2.gz RLQLEGWVFUSDMU-FRGLDACASA-N 0 0 312.391 0.902 10 0 DCAERN C[C@@H]1CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000407972525 287521586 /nfs/dbraw/zinc/52/15/86/287521586.db2.gz UNALFMRBHLZFRV-RDBSUJKOSA-N 0 0 316.467 1.000 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC000487135658 287533074 /nfs/dbraw/zinc/53/30/74/287533074.db2.gz WLYFYDUYZXENTA-RKDXNWHRSA-N 0 0 310.354 0.158 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C)ccn1 ZINC000488548981 287553566 /nfs/dbraw/zinc/55/35/66/287553566.db2.gz VZOZQCLKYJGOEZ-WDEREUQCSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000299622332 229270521 /nfs/dbraw/zinc/27/05/21/229270521.db2.gz JMVKUZCDYMMTJW-DDTOSNHZSA-N 0 0 301.350 0.624 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)[C@@H]3CCCS3)C2)n1 ZINC000299738727 229372919 /nfs/dbraw/zinc/37/29/19/229372919.db2.gz FPSJUIAOLMUXEH-ZJUUUORDSA-N 0 0 309.395 0.436 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cn[nH]c1 ZINC000229963524 545947262 /nfs/dbraw/zinc/94/72/62/545947262.db2.gz RAFAYBUICHBMMW-ONGXEEELSA-N 0 0 300.384 0.401 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(CC(=O)NCC(=O)OC)C1 ZINC000105922715 261108144 /nfs/dbraw/zinc/10/81/44/261108144.db2.gz VXTKSAWTAAETJN-GFCCVEGCSA-N 0 0 308.382 0.372 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cn(C)cn1 ZINC000179306945 261113116 /nfs/dbraw/zinc/11/31/16/261113116.db2.gz WYMZMDDKTKYLOH-LLVKDONJSA-N 0 0 311.345 0.949 10 0 DCAERN Cn1c(NC(=O)C[C@@H]2NC(=O)NC2=O)nc2cccc(Cl)c21 ZINC000183843595 261117511 /nfs/dbraw/zinc/11/75/11/261117511.db2.gz SKZRFRLJGDJBOR-QMMMGPOBSA-N 0 0 321.724 0.763 10 0 DCAERN C[C@H](c1cnccn1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000184517938 261118713 /nfs/dbraw/zinc/11/87/13/261118713.db2.gz XRNUHJMBQGRDMS-GFCCVEGCSA-N 0 0 310.365 0.798 10 0 DCAERN CCCn1nccc1NC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000186778291 261121961 /nfs/dbraw/zinc/12/19/61/261121961.db2.gz RBNINJYUQIRPBJ-UHFFFAOYSA-N 0 0 315.399 0.306 10 0 DCAERN CC1(C)[C@H](NC(=O)NCc2cc(C(N)=O)co2)[C@@H]2CCO[C@@H]21 ZINC000187245786 261122694 /nfs/dbraw/zinc/12/26/94/261122694.db2.gz WOWDAMWTYYHVME-TUAOUCFPSA-N 0 0 307.350 0.991 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000188451159 261127954 /nfs/dbraw/zinc/12/79/54/261127954.db2.gz KMIAHRVMVMNLIL-GFCCVEGCSA-N 0 0 313.357 0.691 10 0 DCAERN COc1cccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000188842032 261130260 /nfs/dbraw/zinc/13/02/60/261130260.db2.gz XGCAZLZYMKEHLJ-UHFFFAOYSA-N 0 0 311.301 0.652 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000189759909 261133665 /nfs/dbraw/zinc/13/36/65/261133665.db2.gz NSWKCDQRIAFDTE-QWHCGFSZSA-N 0 0 310.398 0.830 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC[C@@H]1C ZINC000190692536 261135637 /nfs/dbraw/zinc/13/56/37/261135637.db2.gz UMXFARYWNLJXCO-WCFLWFBJSA-N 0 0 307.398 0.968 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC[C@@H]1C ZINC000190692517 261135828 /nfs/dbraw/zinc/13/58/28/261135828.db2.gz UMXFARYWNLJXCO-CYZMBNFOSA-N 0 0 307.398 0.968 10 0 DCAERN O=C(CCNC(=O)NCCCN1CCCC1=O)N1CCCCC1 ZINC000192902167 261139652 /nfs/dbraw/zinc/13/96/52/261139652.db2.gz XQARDTOSKYWCKX-UHFFFAOYSA-N 0 0 324.425 0.701 10 0 DCAERN O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194791489 261148412 /nfs/dbraw/zinc/14/84/12/261148412.db2.gz CPOMLZURLBXTGU-GFCCVEGCSA-N 0 0 319.336 0.246 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000194831719 261148772 /nfs/dbraw/zinc/14/87/72/261148772.db2.gz NFHPRKWILLOZST-SDDRHHMPSA-N 0 0 304.412 0.151 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000234562377 261154533 /nfs/dbraw/zinc/15/45/33/261154533.db2.gz YAANGDJHDNYFJW-QCNOEVLYSA-N 0 0 305.396 0.767 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](O)C2)[C@@H]1c1ccccc1 ZINC000356031704 261384896 /nfs/dbraw/zinc/38/48/96/261384896.db2.gz CQACIJKMJAPOBC-KBMXLJTQSA-N 0 0 318.373 0.568 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCCCO2)[C@H](C)C1 ZINC000357209767 261516096 /nfs/dbraw/zinc/51/60/96/261516096.db2.gz YPGZUOGZBJEWIU-DGCLKSJQSA-N 0 0 304.412 0.438 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC000357691116 261571587 /nfs/dbraw/zinc/57/15/87/261571587.db2.gz QCAZEJJMRVQYBP-GFCCVEGCSA-N 0 0 319.365 0.325 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358300873 261656169 /nfs/dbraw/zinc/65/61/69/261656169.db2.gz GQLQOKWUAVDLQM-ZDUSSCGKSA-N 0 0 318.439 0.183 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](CO)C1CC1 ZINC000358341979 261659167 /nfs/dbraw/zinc/65/91/67/261659167.db2.gz RTFGSDXKGCWHMM-LBPRGKRZSA-N 0 0 301.346 0.531 10 0 DCAERN COCCn1cc(C(=O)N2CCC[C@H](C(=O)OC)C2)c(C)n1 ZINC000360305146 261821876 /nfs/dbraw/zinc/82/18/76/261821876.db2.gz RXNYURJZZINCON-LBPRGKRZSA-N 0 0 309.366 0.863 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000360694549 261864063 /nfs/dbraw/zinc/86/40/63/261864063.db2.gz IWVJYKZKISVTAE-IUODEOHRSA-N 0 0 320.389 0.709 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)Nc2cccc3c2OCO3)n1 ZINC000360749779 261870388 /nfs/dbraw/zinc/87/03/88/261870388.db2.gz ZZQRFRYZNAJBED-UHFFFAOYSA-N 0 0 302.290 0.404 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000362107397 262000563 /nfs/dbraw/zinc/00/05/63/262000563.db2.gz UMMLOYFUIAYHDG-UHFFFAOYSA-N 0 0 323.397 0.961 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C)n1 ZINC000362462358 262037886 /nfs/dbraw/zinc/03/78/86/262037886.db2.gz BSQWKSUHTLRLLE-GHMZBOCLSA-N 0 0 322.365 0.968 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C)nc2ncnn21 ZINC000362668509 262058280 /nfs/dbraw/zinc/05/82/80/262058280.db2.gz HWJZDBMEZARVMM-UWVGGRQHSA-N 0 0 320.353 0.301 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000362860900 262082050 /nfs/dbraw/zinc/08/20/50/262082050.db2.gz WWGFKJZTIPMWPR-QWHCGFSZSA-N 0 0 322.413 0.414 10 0 DCAERN NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)C1 ZINC000363844458 262133821 /nfs/dbraw/zinc/13/38/21/262133821.db2.gz BBWIETQZMMRDCQ-NSHDSACASA-N 0 0 317.345 0.284 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392902798 262160872 /nfs/dbraw/zinc/16/08/72/262160872.db2.gz UHYYTCQXWZFBAR-WRWGMCAJSA-N 0 0 303.428 0.466 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)C(C)(C)O)C[C@H](C)O1 ZINC000393553096 262160972 /nfs/dbraw/zinc/16/09/72/262160972.db2.gz WBILHXMBVGPNSG-PHIMTYICSA-N 0 0 308.444 0.727 10 0 DCAERN CC(C)(C(=O)N1CC[C@@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000394205458 262162108 /nfs/dbraw/zinc/16/21/08/262162108.db2.gz TUIWUDQRDBPSTO-VIFPVBQESA-N 0 0 303.302 0.335 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H]([C@H](C)O)C1 ZINC000412066479 262180728 /nfs/dbraw/zinc/18/07/28/262180728.db2.gz DDXNBAZHNWLHHS-WFASDCNBSA-N 0 0 306.362 0.909 10 0 DCAERN COC1([C@H](C)NC(=O)c2cc(S(N)(=O)=O)cn2C)CCC1 ZINC000412774990 262194452 /nfs/dbraw/zinc/19/44/52/262194452.db2.gz FOLTVMAOASZJKZ-VIFPVBQESA-N 0 0 315.395 0.360 10 0 DCAERN CC(=O)N1CCN(C(=O)C[S@](=O)C(C)(C)C(C)C)CC1 ZINC000431201601 262629419 /nfs/dbraw/zinc/62/94/19/262629419.db2.gz FPEIDICNZKEXMD-FQEVSTJZSA-N 0 0 302.440 0.860 10 0 DCAERN C/C=C\C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)OCC ZINC000358388661 271051717 /nfs/dbraw/zinc/05/17/17/271051717.db2.gz MURYUYCOVZJYAM-OPUZMVJGSA-N 0 0 317.407 0.968 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](CO)C2CC2)C1 ZINC000358781200 271071395 /nfs/dbraw/zinc/07/13/95/271071395.db2.gz OCOMIUQUVMDRBA-RDBSUJKOSA-N 0 0 311.426 0.951 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(F)cn2)C1 ZINC000359112257 271097173 /nfs/dbraw/zinc/09/71/73/271097173.db2.gz BUSXVQKHCPXPBV-LBPRGKRZSA-N 0 0 309.345 0.824 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)COCC1CC1 ZINC000359562150 271126085 /nfs/dbraw/zinc/12/60/85/271126085.db2.gz XHAIOVKYDNSETF-IUODEOHRSA-N 0 0 320.389 0.709 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000359596656 271129464 /nfs/dbraw/zinc/12/94/64/271129464.db2.gz MXRRYYHCLDRYHS-LBPRGKRZSA-N 0 0 304.412 0.294 10 0 DCAERN CN(CC(=O)Nc1cccc(CCCO)c1)S(C)(=O)=O ZINC000359601009 271129823 /nfs/dbraw/zinc/12/98/23/271129823.db2.gz GDSWKFMPKKZBGG-UHFFFAOYSA-N 0 0 300.380 0.441 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nncn1C ZINC000359765025 271141466 /nfs/dbraw/zinc/14/14/66/271141466.db2.gz MZZQSBXVPAVVPM-LLVKDONJSA-N 0 0 301.350 0.592 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@@H](OCCO)C2)n1 ZINC000436220398 271586946 /nfs/dbraw/zinc/58/69/46/271586946.db2.gz LMTLBQNVIULARH-CQSZACIVSA-N 0 0 323.393 0.816 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(OC)ccc1F ZINC000447150558 271776251 /nfs/dbraw/zinc/77/62/51/271776251.db2.gz KPUCFPWMUCERMZ-GFCCVEGCSA-N 0 0 323.324 0.510 10 0 DCAERN CC[C@H](C)[C@H](CNC(=O)[C@@](C)(O)Cn1ccccc1=O)OC ZINC000452429418 271920085 /nfs/dbraw/zinc/92/00/85/271920085.db2.gz WLZMIZAZZDGRTH-XEZPLFJOSA-N 0 0 310.394 0.777 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CCCO)c1 ZINC000452446330 271920174 /nfs/dbraw/zinc/92/01/74/271920174.db2.gz ZSQOURNXQLVLLN-LLVKDONJSA-N 0 0 314.407 0.733 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000458555042 271962789 /nfs/dbraw/zinc/96/27/89/271962789.db2.gz YBAIRFMBUDTYTA-ZYHUDNBSSA-N 0 0 321.381 0.951 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000459843212 272015174 /nfs/dbraw/zinc/01/51/74/272015174.db2.gz XNASMSDLULOLOM-AHIWAGSCSA-N 0 0 321.421 0.620 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC[C@H](C)C[C@H]1c1ccco1)C(N)=O ZINC000470101778 272027473 /nfs/dbraw/zinc/02/74/73/272027473.db2.gz URMNCEUUENGSOI-DRZSPHRISA-N 0 0 321.377 0.959 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)C(N)=O ZINC000470101779 272027619 /nfs/dbraw/zinc/02/76/19/272027619.db2.gz URMNCEUUENGSOI-KGYLQXTDSA-N 0 0 321.377 0.959 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CC[C@@H](OC)C2)C1=O ZINC000471675200 272029959 /nfs/dbraw/zinc/02/99/59/272029959.db2.gz BHFUBSZBIKZAHW-WDEREUQCSA-N 0 0 311.382 0.781 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 ZINC000471851344 272032135 /nfs/dbraw/zinc/03/21/35/272032135.db2.gz YIJOWRSAWNYYSJ-NEPJUHHUSA-N 0 0 319.427 0.277 10 0 DCAERN CNC(=O)Cn1nc(NS(=O)(=O)N2CCC[C@H]2C)cc1C ZINC000471967112 272034086 /nfs/dbraw/zinc/03/40/86/272034086.db2.gz YJOBAXLQHYNMAZ-SECBINFHSA-N 0 0 315.399 0.079 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CO[C@@H](C)c1nccn1C ZINC000487033906 272036651 /nfs/dbraw/zinc/03/66/51/272036651.db2.gz MQRUSNYALGEGKJ-QWHCGFSZSA-N 0 0 309.366 0.704 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)o1 ZINC000487384245 272040468 /nfs/dbraw/zinc/04/04/68/272040468.db2.gz ZCVNHUIBWAETJH-NXEZZACHSA-N 0 0 317.363 0.848 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncn1 ZINC000488617059 272047029 /nfs/dbraw/zinc/04/70/29/272047029.db2.gz SGMDAODQKKRJSK-RKDXNWHRSA-N 0 0 309.326 0.054 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C)[nH]n1 ZINC000488982387 272055347 /nfs/dbraw/zinc/05/53/47/272055347.db2.gz LPLCVBOZZVEXMS-LLVKDONJSA-N 0 0 309.414 0.222 10 0 DCAERN CC(C)(CNC(=O)NCCCc1nnc2ccccn21)C(N)=O ZINC000489270636 272059625 /nfs/dbraw/zinc/05/96/25/272059625.db2.gz ODICXPFTJYNZGS-UHFFFAOYSA-N 0 0 318.381 0.473 10 0 DCAERN Cc1c(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)cnn1C ZINC000489482709 272062714 /nfs/dbraw/zinc/06/27/14/272062714.db2.gz RMEZOVXMCWLCSU-MRVPVSSYSA-N 0 0 301.290 0.320 10 0 DCAERN NC(=O)c1ccc(CC(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000489956037 272066808 /nfs/dbraw/zinc/06/68/08/272066808.db2.gz NFNYYGVTZRJPKL-ZDUSSCGKSA-N 0 0 308.403 0.654 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2cc(=O)c(OC)co2)CC1 ZINC000494408204 272221465 /nfs/dbraw/zinc/22/14/65/272221465.db2.gz WCQCDRIPTAIVGX-UHFFFAOYSA-N 0 0 324.377 0.718 10 0 DCAERN O=C(NCc1nnc2ccccn21)[C@@]12CCC(=O)N1CCS2 ZINC000514977765 272414164 /nfs/dbraw/zinc/41/41/64/272414164.db2.gz LISMBZOMHQFCHD-AWEZNQCLSA-N 0 0 317.374 0.411 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCC2CC2)C1 ZINC000524565870 272566785 /nfs/dbraw/zinc/56/67/85/272566785.db2.gz GFRWETDSZDYPTL-LBPRGKRZSA-N 0 0 303.428 0.900 10 0 DCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000527213630 272606309 /nfs/dbraw/zinc/60/63/09/272606309.db2.gz KZHUSOYXSQSWBP-SRVKXCTJSA-N 0 0 322.427 0.519 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000532282452 272783280 /nfs/dbraw/zinc/78/32/80/272783280.db2.gz UFGZAZGUIOUFIB-LLVKDONJSA-N 0 0 308.386 0.843 10 0 DCAERN COc1cccc2c(N3CC[C@](O)(C(N)=O)C3)cc(C)nc12 ZINC000373371332 274150639 /nfs/dbraw/zinc/15/06/39/274150639.db2.gz YNEWFFPZCPAUPL-MRXNPFEDSA-N 0 0 301.346 0.978 10 0 DCAERN CCc1nc(CCNC(=O)N(C)Cc2nnnn2C)cs1 ZINC000531550657 287780944 /nfs/dbraw/zinc/78/09/44/287780944.db2.gz GECYOBRFTFQISJ-UHFFFAOYSA-N 0 0 309.399 0.613 10 0 DCAERN CN(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nnnn1C ZINC000531562220 287781831 /nfs/dbraw/zinc/78/18/31/287781831.db2.gz BFUZDYLRLYERLY-UHFFFAOYSA-N 0 0 318.425 0.583 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)C1 ZINC000534361852 287814896 /nfs/dbraw/zinc/81/48/96/287814896.db2.gz AKIMHYKUTRSBBN-QMMMGPOBSA-N 0 0 315.324 0.891 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)N1CC[C@@H](NC(N)=O)C1)C2 ZINC000536510252 287854904 /nfs/dbraw/zinc/85/49/04/287854904.db2.gz XYBFIIJWVSIUCC-NWDGAFQWSA-N 0 0 318.381 0.095 10 0 DCAERN CCN1C[C@H](C)N(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@@H]1C ZINC000408041551 276250458 /nfs/dbraw/zinc/25/04/58/276250458.db2.gz MQESIYLCCKSUFL-XUXIUFHCSA-N 0 0 319.471 0.755 10 0 DCAERN CC[C@H]1CCN1C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000293649046 276653927 /nfs/dbraw/zinc/65/39/27/276653927.db2.gz AANAIGMVVMVAHL-JTQLQIEISA-N 0 0 316.361 0.565 10 0 DCAERN NC(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000541870770 287929797 /nfs/dbraw/zinc/92/97/97/287929797.db2.gz RKMSEUGFVKFNAU-SNVBAGLBSA-N 0 0 319.333 0.537 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000408258442 277238180 /nfs/dbraw/zinc/23/81/80/277238180.db2.gz XAQRJQGTMRMAQB-HZSPNIEDSA-N 0 0 324.425 0.160 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCS(=O)(=O)CC1 ZINC000188882985 277280403 /nfs/dbraw/zinc/28/04/03/277280403.db2.gz GJLAMHISTDMWGW-UHFFFAOYSA-N 0 0 303.409 0.706 10 0 DCAERN CC(C)=C(F)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000180301791 277320738 /nfs/dbraw/zinc/32/07/38/277320738.db2.gz MRIHXHBFEIXNNE-UHFFFAOYSA-N 0 0 318.414 0.971 10 0 DCAERN Cc1cc(CN(C)C(=O)NCc2nnnn2CC2CC2)no1 ZINC000545321183 287996680 /nfs/dbraw/zinc/99/66/80/287996680.db2.gz MLWSHUHKCNDQRM-UHFFFAOYSA-N 0 0 305.342 0.721 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000408139327 278060942 /nfs/dbraw/zinc/06/09/42/278060942.db2.gz GHWJFTVLSSJIHI-JHJVBQTASA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)N1CC(=O)N(C)C1 ZINC000545976424 288008860 /nfs/dbraw/zinc/00/88/60/288008860.db2.gz KTIIPWKZELLZSZ-UHFFFAOYSA-N 0 0 302.334 0.859 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H](C)Cn1cncn1 ZINC000368883623 278077344 /nfs/dbraw/zinc/07/73/44/278077344.db2.gz DPLIMHJHJLODPC-NHYWBVRUSA-N 0 0 313.361 0.761 10 0 DCAERN CC(=O)NC1(C(=O)N2CCS(=O)(=O)[C@H](C)C2)CCCCC1 ZINC000408206085 278080650 /nfs/dbraw/zinc/08/06/50/278080650.db2.gz SFCZSYLRRQPEPY-LLVKDONJSA-N 0 0 316.423 0.471 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408394843 278192308 /nfs/dbraw/zinc/19/23/08/278192308.db2.gz KMTQWWRZMOKQBW-MRXNPFEDSA-N 0 0 301.346 0.997 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1(C)C ZINC000366082188 278227752 /nfs/dbraw/zinc/22/77/52/278227752.db2.gz APDWPKJOZSNBOW-USBNGQNGSA-N 0 0 321.377 0.438 10 0 DCAERN C[C@]1(CNC(=O)N2CCN3CCOC[C@@H]3C2)CCO[C@H]1C1CC1 ZINC000546657059 288023873 /nfs/dbraw/zinc/02/38/73/288023873.db2.gz FWCVLDMTUUPZSN-YQQAZPJKSA-N 0 0 323.437 0.918 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000546755825 288030051 /nfs/dbraw/zinc/03/00/51/288030051.db2.gz AOGVJSILSJAADH-NSHDSACASA-N 0 0 314.349 0.558 10 0 DCAERN CC(C)(C)NC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066893450 278357476 /nfs/dbraw/zinc/35/74/76/278357476.db2.gz FXVDFEVPECYRDB-CYBMUJFWSA-N 0 0 311.426 0.614 10 0 DCAERN CO[C@]1(CNC(=O)Cn2cc(-c3ccccc3)nn2)CCOC1 ZINC000547305982 288037571 /nfs/dbraw/zinc/03/75/71/288037571.db2.gz RZLRTQHOEVCNOH-INIZCTEOSA-N 0 0 316.361 0.867 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000245920305 278536018 /nfs/dbraw/zinc/53/60/18/278536018.db2.gz GQZPSFSIFFMWMU-IJLUTSLNSA-N 0 0 320.455 0.618 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000408112366 288069678 /nfs/dbraw/zinc/06/96/78/288069678.db2.gz KEEKIPFKHOHOQA-UTLUCORTSA-N 0 0 307.316 0.606 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372073358 278955612 /nfs/dbraw/zinc/95/56/12/278955612.db2.gz MLYPLXCWAGRCRD-ZIAGYGMSSA-N 0 0 316.467 1.000 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000547967900 288096608 /nfs/dbraw/zinc/09/66/08/288096608.db2.gz DYFSSTQAPYQWAH-LLVKDONJSA-N 0 0 319.361 0.643 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C)C[C@H]1C ZINC000408111817 279274930 /nfs/dbraw/zinc/27/49/30/279274930.db2.gz GBVZDQXNRIWXAK-SECBINFHSA-N 0 0 304.350 0.611 10 0 DCAERN CCN1CCO[C@@H](C(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000261959963 279384282 /nfs/dbraw/zinc/38/42/82/279384282.db2.gz MHFVTFKEVDWOQF-LSDHHAIUSA-N 0 0 304.394 0.275 10 0 DCAERN CCN1C[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1=O ZINC000333199183 279460141 /nfs/dbraw/zinc/46/01/41/279460141.db2.gz QMXVOVLKSHJGKE-MGPQQGTHSA-N 0 0 324.425 0.112 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CC(C)(C)C)CC12COC2 ZINC000451621011 279622008 /nfs/dbraw/zinc/62/20/08/279622008.db2.gz TUMRAKJJCDPNQP-LLVKDONJSA-N 0 0 319.423 0.874 10 0 DCAERN CCC(CC)[C@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CCO1 ZINC000548720691 288170611 /nfs/dbraw/zinc/17/06/11/288170611.db2.gz INLRZEGUZGKVLL-UONOGXRCSA-N 0 0 312.410 0.945 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnc(-c2ccncc2)s1 ZINC000178563347 279878089 /nfs/dbraw/zinc/87/80/89/279878089.db2.gz OVMHZPOQTIXKTC-SECBINFHSA-N 0 0 316.342 0.740 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)COc3cnn(C)c3)C2)n1 ZINC000548799545 288177224 /nfs/dbraw/zinc/17/72/24/288177224.db2.gz KUMJRTHXSHSNRF-NSHDSACASA-N 0 0 305.338 0.897 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCCc2nn(C)cc21)S(C)(=O)=O ZINC000549054778 288190892 /nfs/dbraw/zinc/19/08/92/288190892.db2.gz SIFDXHMNIBWALN-MWLCHTKSSA-N 0 0 314.411 0.530 10 0 DCAERN O=C([C@@H]1Cc2ccccc2O1)N1CC[C@H](N2CCOCC2)C1 ZINC000172761701 280118925 /nfs/dbraw/zinc/11/89/25/280118925.db2.gz YEEHQFFWAWOGQV-HOCLYGCPSA-N 0 0 302.374 0.923 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000177683569 280123661 /nfs/dbraw/zinc/12/36/61/280123661.db2.gz RVYZJSAARWRTQF-UBHSHLNASA-N 0 0 318.377 0.933 10 0 DCAERN O=C(c1ccc2nncn2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000408231195 280204452 /nfs/dbraw/zinc/20/44/52/280204452.db2.gz LIEJUPFSXJOMJU-CYBMUJFWSA-N 0 0 301.350 0.276 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)nnn1C(C)C ZINC000550381317 288215550 /nfs/dbraw/zinc/21/55/50/288215550.db2.gz FCGXKQOYFQGPTB-GFCCVEGCSA-N 0 0 320.397 0.797 10 0 DCAERN CC(C)[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C(N)=O ZINC000135501024 280306104 /nfs/dbraw/zinc/30/61/04/280306104.db2.gz HRTYDOGPPQGDHN-QMMMGPOBSA-N 0 0 321.303 0.748 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000551215291 288225345 /nfs/dbraw/zinc/22/53/45/288225345.db2.gz JWWFWLKDIMLFTF-UONOGXRCSA-N 0 0 318.373 0.921 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(N2CCNC2=O)C1 ZINC000333550714 280497602 /nfs/dbraw/zinc/49/76/02/280497602.db2.gz FPERISIQSVSARW-WCQYABFASA-N 0 0 310.398 0.467 10 0 DCAERN O=C(CN1CCCC1=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885141 288240580 /nfs/dbraw/zinc/24/05/80/288240580.db2.gz BQSKOCNKUNSOJG-NSHDSACASA-N 0 0 304.350 0.885 10 0 DCAERN Cc1ccc(-n2nnnc2N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000274390633 280750171 /nfs/dbraw/zinc/75/01/71/280750171.db2.gz KPHCKHFIFWAURN-HNNXBMFYSA-N 0 0 301.350 0.966 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000407957777 280781909 /nfs/dbraw/zinc/78/19/09/280781909.db2.gz PQXQFQYMOCTCBP-UHFFFAOYSA-N 0 0 300.384 0.363 10 0 DCAERN O=C(NC[C@@H]1CCCOC1)C(=O)Nc1ccc2nccn2c1 ZINC000553057181 288285469 /nfs/dbraw/zinc/28/54/69/288285469.db2.gz PYSAAHJZVJMSCA-NSHDSACASA-N 0 0 302.334 0.816 10 0 DCAERN CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553072766 288286276 /nfs/dbraw/zinc/28/62/76/288286276.db2.gz RJAPCVFIWBOENZ-HNNXBMFYSA-N 0 0 304.350 0.796 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000554562560 288328960 /nfs/dbraw/zinc/32/89/60/288328960.db2.gz LBEGJTULUNXGNV-VIFPVBQESA-N 0 0 306.288 0.552 10 0 DCAERN CN(CCCO)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000555943594 288366475 /nfs/dbraw/zinc/36/64/75/288366475.db2.gz RMSDARLIPLCPNR-UHFFFAOYSA-N 0 0 320.437 0.832 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@H](c3cnn(C)c3)C2)cn1 ZINC000558626025 288450525 /nfs/dbraw/zinc/45/05/25/288450525.db2.gz QCZUZUGMQOPOOO-ZDUSSCGKSA-N 0 0 305.338 0.133 10 0 DCAERN CN1CCN(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1=O ZINC000559036090 288464434 /nfs/dbraw/zinc/46/44/34/288464434.db2.gz DFJHZMDLFVFSIV-UHFFFAOYSA-N 0 0 314.345 0.844 10 0 DCAERN C[C@@H](C(=O)Nc1ccc2c(c1F)CCNC2=O)n1cncn1 ZINC000560153786 288486421 /nfs/dbraw/zinc/48/64/21/288486421.db2.gz LBCGCZSYENPVFI-QMMMGPOBSA-N 0 0 303.297 0.903 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NCCOCC1CCC1 ZINC000562282723 288562888 /nfs/dbraw/zinc/56/28/88/288562888.db2.gz IKIOYNREWWCFKU-UHFFFAOYSA-N 0 0 320.393 0.927 10 0 DCAERN CN1C[C@H](NC(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1=O ZINC000562351810 288568068 /nfs/dbraw/zinc/56/80/68/288568068.db2.gz RJLVGFBZCBYHHY-GFCCVEGCSA-N 0 0 314.345 0.891 10 0 DCAERN Cn1nccc1S(=O)(=O)NCC[C@H]1COc2ccccc2O1 ZINC000564650181 288755318 /nfs/dbraw/zinc/75/53/18/288755318.db2.gz WLRCAIBXIJBZBS-NSHDSACASA-N 0 0 323.374 0.929 10 0 DCAERN O=C(NC[C@H]1COCCO1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000565613570 288867213 /nfs/dbraw/zinc/86/72/13/288867213.db2.gz XJVOQGBDZVIJDH-NEPJUHHUSA-N 0 0 322.365 0.861 10 0 DCAERN C[C@@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCC[C@@H]1O ZINC000408392048 289168404 /nfs/dbraw/zinc/16/84/04/289168404.db2.gz BHDQRISFLDZFID-AAEUAGOBSA-N 0 0 304.412 0.368 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000408224611 289228294 /nfs/dbraw/zinc/22/82/94/289228294.db2.gz GVVDAMYXWMVARP-JQWIXIFHSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)C[C@@H](C)O1 ZINC000188044633 297044225 /nfs/dbraw/zinc/04/42/25/297044225.db2.gz ZQBVGUCDIXQGLW-GHMZBOCLSA-N 0 0 306.428 0.576 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1(C)C ZINC000408103536 294035127 /nfs/dbraw/zinc/03/51/27/294035127.db2.gz BFXLEFGUTFHGIW-RXGFPQBGSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC[C@H]2C)C[C@@H](C)O1 ZINC000330351430 297054835 /nfs/dbraw/zinc/05/48/35/297054835.db2.gz MFLPXQQRWLHPCC-KIKHTIOSSA-N 0 0 324.468 0.183 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCOC2)CC2(CCOCC2)O1 ZINC000333317045 297059653 /nfs/dbraw/zinc/05/96/53/297059653.db2.gz OTBWZWJYPUHUJZ-CHWSQXEVSA-N 0 0 319.423 0.765 10 0 DCAERN Cn1ccnc1[C@@H]1CN(c2ncnc3c2cnn3C)CCN1C ZINC000280436513 294422020 /nfs/dbraw/zinc/42/20/20/294422020.db2.gz KDDAMCKSDIRSDB-LBPRGKRZSA-N 0 0 312.381 0.590 10 0 DCAERN Cn1cnn(CC(=O)Nc2nc3cc(Cl)ccc3n2C)c1=O ZINC000179713351 294487560 /nfs/dbraw/zinc/48/75/60/294487560.db2.gz WNDPEUWBRNTIBV-UHFFFAOYSA-N 0 0 320.740 0.761 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000329847591 294641180 /nfs/dbraw/zinc/64/11/80/294641180.db2.gz MVXPPTNNAHZQPB-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000365927898 294646903 /nfs/dbraw/zinc/64/69/03/294646903.db2.gz NXNMKWIQUSPJIB-ZDEQEGDKSA-N 0 0 318.439 0.825 10 0 DCAERN NC(=O)[C@H]1C[C@H](F)CN1C(=O)c1ncccc1Br ZINC000347251767 295163834 /nfs/dbraw/zinc/16/38/34/295163834.db2.gz HGAYTERZODFWSK-POYBYMJQSA-N 0 0 316.130 0.882 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000183568620 295349551 /nfs/dbraw/zinc/34/95/51/295349551.db2.gz ARDRPILHFPGSGG-WDEREUQCSA-N 0 0 304.346 0.990 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000261716199 295411222 /nfs/dbraw/zinc/41/12/22/295411222.db2.gz DVRAKFWWVYAHSV-TZMCWYRMSA-N 0 0 317.389 0.694 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN(C3CC3)CC2)CCCC1 ZINC000408156978 295473818 /nfs/dbraw/zinc/47/38/18/295473818.db2.gz FPALSGQGZUBIRB-UHFFFAOYSA-N 0 0 300.424 0.650 10 0 DCAERN O=C(CN1CCN([C@@H]2CCCCNC2=O)CC1)N1CCCCC1 ZINC000022810609 295506404 /nfs/dbraw/zinc/50/64/04/295506404.db2.gz PWKSGHFSYQVIDZ-OAHLLOKOSA-N 0 0 322.453 0.285 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000287212398 295611719 /nfs/dbraw/zinc/61/17/19/295611719.db2.gz FLLCOTPDSOSERD-GFCCVEGCSA-N 0 0 317.393 0.548 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)CC(F)(F)F ZINC000408306169 297776102 /nfs/dbraw/zinc/77/61/02/297776102.db2.gz BLFUGRIBOOYSTE-RQJHMYQMSA-N 0 0 309.331 0.386 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)N1CCCC1 ZINC000329456511 297809339 /nfs/dbraw/zinc/80/93/39/297809339.db2.gz QDUIQPOHBGGHFC-CHWSQXEVSA-N 0 0 303.428 0.122 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)N1CCOCC1 ZINC000330069871 298094202 /nfs/dbraw/zinc/09/42/02/298094202.db2.gz HQHYRXTWTSPYLR-IIAWOOMASA-N 0 0 312.410 0.504 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)CC[N@@H+](C2CCC2)C1 ZINC000293620551 300205749 /nfs/dbraw/zinc/20/57/49/300205749.db2.gz FPWJJDKYWBBMQY-LLVKDONJSA-N 0 0 320.393 0.432 10 0 DCAERN C[C@H]1N(C(=O)CS(=O)(=O)N(C)C)CCC12CCOCC2 ZINC000408206152 300552755 /nfs/dbraw/zinc/55/27/55/300552755.db2.gz MWDUQBAJMOGKGC-LLVKDONJSA-N 0 0 304.412 0.295 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)CCNC(N)=O ZINC000183726237 301319330 /nfs/dbraw/zinc/31/93/30/301319330.db2.gz AQTYPWHURQKCFG-CYBMUJFWSA-N 0 0 322.340 0.192 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)on1 ZINC000247254690 301356241 /nfs/dbraw/zinc/35/62/41/301356241.db2.gz ZFICJHULVKQHDH-CHWSQXEVSA-N 0 0 308.382 0.717 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(C)o1 ZINC000284558244 301392275 /nfs/dbraw/zinc/39/22/75/301392275.db2.gz FLVOSOPQMDCMIC-OLZOCXBDSA-N 0 0 314.407 0.990 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)c1 ZINC000284783320 301677832 /nfs/dbraw/zinc/67/78/32/301677832.db2.gz QPJLRETXSOQNCY-YPMHNXCESA-N 0 0 312.391 0.567 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Br)n1 ZINC000220149027 303307600 /nfs/dbraw/zinc/30/76/00/303307600.db2.gz IGLMPEFMELIHBZ-QMMMGPOBSA-N 0 0 314.139 0.170 10 0 DCAERN O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408485218 303819559 /nfs/dbraw/zinc/81/95/59/303819559.db2.gz PUWFCQWIGHQYLI-NWDGAFQWSA-N 0 0 302.396 0.096 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc[nH]c1=O ZINC000369991405 303868127 /nfs/dbraw/zinc/86/81/27/303868127.db2.gz QNXCTMMJURNAQZ-GFCCVEGCSA-N 0 0 305.334 0.297 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000332717273 332857358 /nfs/dbraw/zinc/85/73/58/332857358.db2.gz HUSBYXIYTCJATQ-WFASDCNBSA-N 0 0 323.393 0.389 10 0 DCAERN O=C(NCCc1cnc(C2CC2)nc1)N[C@@H]1CC[S@@](=O)C1 ZINC000332763827 332866134 /nfs/dbraw/zinc/86/61/34/332866134.db2.gz VUJDAQFIQGEPNS-XUSGNXJCSA-N 0 0 308.407 0.717 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000570220253 332726405 /nfs/dbraw/zinc/72/64/05/332726405.db2.gz LKBJONJXUGGBAD-ZYHUDNBSSA-N 0 0 302.334 0.957 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)NCC2(C)COC2)C1(C)C ZINC000188749587 333054484 /nfs/dbraw/zinc/05/44/84/333054484.db2.gz KEOFASLCGQMWPD-IAQYHMDHSA-N 0 0 300.399 0.888 10 0 DCAERN CCc1noc(C)c1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000388755040 334265706 /nfs/dbraw/zinc/26/57/06/334265706.db2.gz DMTQPUWMOJGAOT-AWEZNQCLSA-N 0 0 306.322 0.360 10 0 DCAERN CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000582217526 336005521 /nfs/dbraw/zinc/00/55/21/336005521.db2.gz UNCJZEQOBXLSEZ-HNNXBMFYSA-N 0 0 302.334 0.646 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1F ZINC000583637300 336005993 /nfs/dbraw/zinc/00/59/93/336005993.db2.gz MQOYIXKBLJECOY-PHIMTYICSA-N 0 0 308.309 0.699 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1N1C(=O)CN(C2CCC2)C1=O ZINC000583670820 336390814 /nfs/dbraw/zinc/39/08/14/336390814.db2.gz YNRWUZSGQNQGHE-STQMWFEESA-N 0 0 312.366 0.624 10 0 DCAERN O=C(NC1(CO)CC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000582256860 336396789 /nfs/dbraw/zinc/39/67/89/336396789.db2.gz POROKBHGYSJSPI-ZDUSSCGKSA-N 0 0 303.362 0.575 10 0 DCAERN COCCOC[C@H](O)CNCc1nn(C)cc1Br ZINC000393333183 337091964 /nfs/dbraw/zinc/09/19/64/337091964.db2.gz SCHOJPTWAFULTQ-SECBINFHSA-N 0 0 322.203 0.296 10 0 DCAERN Cn1cc(Br)c(CNC(=O)N2CCOCC2)n1 ZINC000393651320 337093448 /nfs/dbraw/zinc/09/34/48/337093448.db2.gz PSMRAXATCDSMER-UHFFFAOYSA-N 0 0 303.160 0.724 10 0 DCAERN C[C@H]1c2nncn2CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000582641009 337114114 /nfs/dbraw/zinc/11/41/14/337114114.db2.gz NWKHXMPHVYUQSP-NSHDSACASA-N 0 0 324.344 0.591 10 0 DCAERN Cn1nnc(CNC(=O)NC2CCN(c3ccccc3)CC2)n1 ZINC000583788501 337333212 /nfs/dbraw/zinc/33/32/12/337333212.db2.gz BWGXBFCTEQVCQX-UHFFFAOYSA-N 0 0 315.381 0.678 10 0 DCAERN O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1CC[S@@](=O)C1 ZINC000332947235 337668319 /nfs/dbraw/zinc/66/83/19/337668319.db2.gz VOCCILWGKNSUII-OIAVYIFSSA-N 0 0 310.375 0.647 10 0 DCAERN CCn1ccnc1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC000576171630 341831185 /nfs/dbraw/zinc/83/11/85/341831185.db2.gz RZJAARHWYLCTTI-JTQLQIEISA-N 0 0 302.325 0.485 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCc1cc(F)ccc1OC ZINC000188686721 521672156 /nfs/dbraw/zinc/67/21/56/521672156.db2.gz XYKVHBVATQJGKT-UHFFFAOYSA-N 0 0 304.343 0.390 10 0 DCAERN Cc1cc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000267523273 533916743 /nfs/dbraw/zinc/91/67/43/533916743.db2.gz HCLNWXNEQXVLKR-DGCLKSJQSA-N 0 0 302.382 0.590 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000187661825 533985009 /nfs/dbraw/zinc/98/50/09/533985009.db2.gz ASCCHAOCSCWENO-OAHLLOKOSA-N 0 0 305.422 0.610 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000193925080 534214484 /nfs/dbraw/zinc/21/44/84/534214484.db2.gz YMABSJRULJEKIN-BDAKNGLRSA-N 0 0 324.768 0.786 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCN(Cc2ccco2)CC1 ZINC000299685468 534273107 /nfs/dbraw/zinc/27/31/07/534273107.db2.gz YVOJLLLNBITKGC-ZDUSSCGKSA-N 0 0 318.381 0.787 10 0 DCAERN CCCOc1cccnc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458149409 517591806 /nfs/dbraw/zinc/59/18/06/517591806.db2.gz UYZMTMSZLGIYEE-NSHDSACASA-N 0 0 305.338 0.253 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@H]2CCc3nc(C)nn3C2)c1 ZINC000184614322 534314355 /nfs/dbraw/zinc/31/43/55/534314355.db2.gz HHDHUJVWLYMZLL-JTQLQIEISA-N 0 0 304.306 0.711 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)CCS1(=O)=O ZINC000188633328 534315116 /nfs/dbraw/zinc/31/51/16/534315116.db2.gz YHRWLIAXKKNIHF-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000137095555 518196982 /nfs/dbraw/zinc/19/69/82/518196982.db2.gz PRHKXYIMKSLMSX-IUCAKERBSA-N 0 0 311.288 0.770 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000113298934 518409387 /nfs/dbraw/zinc/40/93/87/518409387.db2.gz NRBTWXCCMGILBN-LBPRGKRZSA-N 0 0 320.374 0.774 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CCN1CCO ZINC000189342737 534359367 /nfs/dbraw/zinc/35/93/67/534359367.db2.gz JXVIICYRROUANY-GFCCVEGCSA-N 0 0 307.398 0.678 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000116115892 519531221 /nfs/dbraw/zinc/53/12/21/519531221.db2.gz HMRPOLZIYQXUNN-ZIAGYGMSSA-N 0 0 304.394 0.995 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000191345684 519647237 /nfs/dbraw/zinc/64/72/37/519647237.db2.gz OHJFBRAFUFFQGZ-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000191484468 519648927 /nfs/dbraw/zinc/64/89/27/519648927.db2.gz ORRFHUYVCMTKPJ-UHFFFAOYSA-N 0 0 301.302 0.595 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000246107924 519731125 /nfs/dbraw/zinc/73/11/25/519731125.db2.gz JPUOFSTWOHESJX-ZSBIGDGJSA-N 0 0 306.428 0.634 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000188779384 519754612 /nfs/dbraw/zinc/75/46/12/519754612.db2.gz SADHSKXWCKWTTC-LBPRGKRZSA-N 0 0 306.366 0.903 10 0 DCAERN CC(C)[C@@H](O)CC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000162944070 519800207 /nfs/dbraw/zinc/80/02/07/519800207.db2.gz ZTOPTFOWSWCCTA-JTQLQIEISA-N 0 0 320.436 0.550 10 0 DCAERN CC(C)[C@H](C(=O)Nc1ccc(C(N)=O)nc1)N1CCCC1=O ZINC000122621209 519810044 /nfs/dbraw/zinc/81/00/44/519810044.db2.gz IHEUHAKEKJLJSV-CYBMUJFWSA-N 0 0 304.350 0.766 10 0 DCAERN CC(C)[C@H](O)CC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000157167813 519822762 /nfs/dbraw/zinc/82/27/62/519822762.db2.gz GFHORJFSMQCJGT-HIFRSBDPSA-N 0 0 316.467 0.718 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000188986108 519830517 /nfs/dbraw/zinc/83/05/17/519830517.db2.gz UPHPCIGTAHJIBR-UHFFFAOYSA-N 0 0 314.411 0.641 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2c[nH]cn2)C[C@]2(CCOC2)O1 ZINC000373680275 520492954 /nfs/dbraw/zinc/49/29/54/520492954.db2.gz IZIHLHXPEIWNOO-LBPRGKRZSA-N 0 0 301.368 0.368 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000247117346 520526490 /nfs/dbraw/zinc/52/64/90/520526490.db2.gz JJULPNXIGYUUIN-RYUDHWBXSA-N 0 0 304.412 0.486 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H](C)OC ZINC000249613210 520530606 /nfs/dbraw/zinc/53/06/06/520530606.db2.gz SJNURALBPIHZRP-RYUDHWBXSA-N 0 0 306.428 0.684 10 0 DCAERN NC(=O)c1cnccc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000302021889 534507031 /nfs/dbraw/zinc/50/70/31/534507031.db2.gz ILUFWHWMOVCBAS-UHFFFAOYSA-N 0 0 300.318 0.736 10 0 DCAERN CC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)OCCCO1 ZINC000191085556 520723642 /nfs/dbraw/zinc/72/36/42/520723642.db2.gz JPBMOBZAZHBRBO-GFCCVEGCSA-N 0 0 322.361 0.897 10 0 DCAERN NC(=O)c1coc(CNC(=O)NCCCNC(=O)C2CCC2)c1 ZINC000188014963 534517345 /nfs/dbraw/zinc/51/73/45/534517345.db2.gz KERVQKWVRJUFCM-UHFFFAOYSA-N 0 0 322.365 0.484 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@@H](CO)c2ccccc2)c1 ZINC000187992543 534517981 /nfs/dbraw/zinc/51/79/81/534517981.db2.gz PPOHUASJZNNUGK-ZDUSSCGKSA-N 0 0 303.318 0.911 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)NCc2noc(C)n2)cc1 ZINC000124521633 520907137 /nfs/dbraw/zinc/90/71/37/520907137.db2.gz YBBUJGWOQZWEOY-UHFFFAOYSA-N 0 0 318.333 0.823 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187014274 521528426 /nfs/dbraw/zinc/52/84/26/521528426.db2.gz FNDILIASEWZWJG-UHFFFAOYSA-N 0 0 317.349 0.259 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000364725352 521565655 /nfs/dbraw/zinc/56/56/55/521565655.db2.gz ZOPAKVJMAMJOQI-UKRRQHHQSA-N 0 0 323.437 0.567 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[C@H](C)O ZINC000228070285 521568246 /nfs/dbraw/zinc/56/82/46/521568246.db2.gz TWHOVWGBSWBLAJ-QMMMGPOBSA-N 0 0 305.356 0.026 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC1(CCO)CC1 ZINC000157294623 521569075 /nfs/dbraw/zinc/56/90/75/521569075.db2.gz NWJKPSSCVOWURR-UHFFFAOYSA-N 0 0 317.367 0.027 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000119816348 521748590 /nfs/dbraw/zinc/74/85/90/521748590.db2.gz PWNLXPOAVLXHRN-CYBMUJFWSA-N 0 0 318.377 0.329 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000190878239 522014345 /nfs/dbraw/zinc/01/43/45/522014345.db2.gz NCLABZZEMWUYGX-NWDGAFQWSA-N 0 0 308.378 0.947 10 0 DCAERN COc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1C ZINC000116832941 522090674 /nfs/dbraw/zinc/09/06/74/522090674.db2.gz DPIDDHXWHJEHGJ-LBPRGKRZSA-N 0 0 312.391 0.767 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)on1 ZINC000157951803 522133020 /nfs/dbraw/zinc/13/30/20/522133020.db2.gz PDBVBPXBRUAAKG-SNVBAGLBSA-N 0 0 303.322 0.872 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188359210 522219436 /nfs/dbraw/zinc/21/94/36/522219436.db2.gz LUXBOAWQUCMXLD-KGLIPLIRSA-N 0 0 323.368 0.997 10 0 DCAERN COC[C@@H](C)S(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000190182613 522266547 /nfs/dbraw/zinc/26/65/47/522266547.db2.gz JEXDMVVGFXOKAY-LLVKDONJSA-N 0 0 324.406 0.969 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000153700834 522459142 /nfs/dbraw/zinc/45/91/42/522459142.db2.gz LVJKVESPXXKTOR-NSHDSACASA-N 0 0 307.398 0.823 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000267930352 522509643 /nfs/dbraw/zinc/50/96/43/522509643.db2.gz DNPDNDWMCWOPSM-UWVGGRQHSA-N 0 0 306.370 0.205 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000189095265 522591666 /nfs/dbraw/zinc/59/16/66/522591666.db2.gz STNDZFUPRYWXNI-UHFFFAOYSA-N 0 0 317.389 0.961 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000189141799 522594973 /nfs/dbraw/zinc/59/49/73/522594973.db2.gz CFBHKTWANKHUNP-UHFFFAOYSA-N 0 0 312.316 0.926 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H](c2ccco2)N(C)C)C1 ZINC000188174628 522759513 /nfs/dbraw/zinc/75/95/13/522759513.db2.gz ILRGANVXYLTKQN-LBPRGKRZSA-N 0 0 324.381 0.039 10 0 DCAERN COc1cc(S(=O)(=O)NCc2ncn(C)n2)ccc1F ZINC000190819331 522897354 /nfs/dbraw/zinc/89/73/54/522897354.db2.gz DHIDJWQUQCTGKO-UHFFFAOYSA-N 0 0 300.315 0.441 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)c1cc2c(cn1)nc[nH]c2=O ZINC000186543153 534687943 /nfs/dbraw/zinc/68/79/43/534687943.db2.gz CPVWCZLEENNDSG-UHFFFAOYSA-N 0 0 320.312 0.896 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](C)C2)cn1 ZINC000129826725 523403536 /nfs/dbraw/zinc/40/35/36/523403536.db2.gz YUVWQXFVPRNHHY-LBPRGKRZSA-N 0 0 323.397 0.021 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000129803851 523406661 /nfs/dbraw/zinc/40/66/61/523406661.db2.gz BJTYCEKIDBAVGJ-NSHDSACASA-N 0 0 316.365 0.591 10 0 DCAERN CO[C@@H](C)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000191660220 523411897 /nfs/dbraw/zinc/41/18/97/523411897.db2.gz ROVGNZOTIVJTFS-VIFPVBQESA-N 0 0 303.322 0.561 10 0 DCAERN CN(Cc1cccs1)C(=O)CN1CCN2CCOC[C@H]2C1 ZINC000371813659 523441100 /nfs/dbraw/zinc/44/11/00/523441100.db2.gz AYPCXNPADQDBTG-CYBMUJFWSA-N 0 0 309.435 0.723 10 0 DCAERN CCn1cc([C@@H]2CN([C@@H](C)C(=O)NC(=O)NC)CCO2)cn1 ZINC000190777020 523467312 /nfs/dbraw/zinc/46/73/12/523467312.db2.gz QKENWCQCMOPZAB-JQWIXIFHSA-N 0 0 309.370 0.120 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000131966391 523770402 /nfs/dbraw/zinc/77/04/02/523770402.db2.gz OYOSIPCAQPFERJ-SNVBAGLBSA-N 0 0 300.322 0.435 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000246047458 523946389 /nfs/dbraw/zinc/94/63/89/523946389.db2.gz BYNSWMDGHYYTSB-GJZGRUSLSA-N 0 0 317.389 0.629 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000191477535 524015216 /nfs/dbraw/zinc/01/52/16/524015216.db2.gz QZYICJRQJLFQAD-ZIAGYGMSSA-N 0 0 316.361 0.654 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NCC(F)(F)F)C1 ZINC000189341048 524020664 /nfs/dbraw/zinc/02/06/64/524020664.db2.gz KBRZGCRRWPKJEF-DTWKUNHWSA-N 0 0 322.287 0.818 10 0 DCAERN COc1ccc(CNC(=O)CN(C)CC(C)(CO)CO)cc1 ZINC000157500756 524049976 /nfs/dbraw/zinc/04/99/76/524049976.db2.gz BBBZVHDVJDDSRB-UHFFFAOYSA-N 0 0 310.394 0.234 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)CCO1 ZINC000156657564 524083527 /nfs/dbraw/zinc/08/35/27/524083527.db2.gz QVUDXCQZHTVRLP-PWSUYJOCSA-N 0 0 321.381 0.833 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246917234 524101200 /nfs/dbraw/zinc/10/12/00/524101200.db2.gz IQPMREJRBKJFDJ-UONOGXRCSA-N 0 0 317.455 0.370 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ns1 ZINC000365522268 524131677 /nfs/dbraw/zinc/13/16/77/524131677.db2.gz KWFBSEFWFOLDSL-LLVKDONJSA-N 0 0 309.391 0.961 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000248951200 524139499 /nfs/dbraw/zinc/13/94/99/524139499.db2.gz DAXBFRJMHSKSTK-UPJWGTAASA-N 0 0 324.425 0.601 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000188670636 524312102 /nfs/dbraw/zinc/31/21/02/524312102.db2.gz HYALFQCOSNZUNR-QMMMGPOBSA-N 0 0 304.343 0.388 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000364771166 524534266 /nfs/dbraw/zinc/53/42/66/524534266.db2.gz MTXBDAZQDPBADQ-RKFFSXRUSA-N 0 0 324.402 1.000 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)N1CCOCC1 ZINC000188465194 524696723 /nfs/dbraw/zinc/69/67/23/524696723.db2.gz FFSQIQDIIBURPR-WFASDCNBSA-N 0 0 318.377 0.412 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1N1CCOCC1 ZINC000191267426 524773589 /nfs/dbraw/zinc/77/35/89/524773589.db2.gz BHNBXNSLXZZEQX-HIFRSBDPSA-N 0 0 304.394 0.588 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000245922528 524828486 /nfs/dbraw/zinc/82/84/86/524828486.db2.gz RAUQWHXVJHFMGH-AAEUAGOBSA-N 0 0 312.391 0.306 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C(=O)CCc1ccnn1C)C1CC1 ZINC000186364341 524831567 /nfs/dbraw/zinc/83/15/67/524831567.db2.gz SOEORCANCGBOLB-NSHDSACASA-N 0 0 313.423 0.777 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187983077 524856191 /nfs/dbraw/zinc/85/61/91/524856191.db2.gz MHARKSIIIOAHEP-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188014466 524993536 /nfs/dbraw/zinc/99/35/36/524993536.db2.gz IFCSZTOOIWURFE-UHFFFAOYSA-N 0 0 316.361 0.456 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000188335477 525016239 /nfs/dbraw/zinc/01/62/39/525016239.db2.gz YOSMYYUZBHHNNM-BXUZGUMPSA-N 0 0 306.362 0.982 10 0 DCAERN Cc1ccc(NC(=O)CNC(=O)c2cccnc2)cc1C(N)=O ZINC000161688715 525063344 /nfs/dbraw/zinc/06/33/44/525063344.db2.gz YXTWXBUKSMFQAL-UHFFFAOYSA-N 0 0 312.329 0.857 10 0 DCAERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(=O)N(C)C ZINC000191818165 525200712 /nfs/dbraw/zinc/20/07/12/525200712.db2.gz CIBKWIMVSBGGJZ-ZETCQYMHSA-N 0 0 304.393 0.358 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000116833261 525213309 /nfs/dbraw/zinc/21/33/09/525213309.db2.gz PZKNWNQEUPYRIZ-CMPLNLGQSA-N 0 0 310.375 0.313 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000368206065 525233323 /nfs/dbraw/zinc/23/33/23/525233323.db2.gz ZMFBARLIGSXUGJ-YVECIDJPSA-N 0 0 318.439 0.802 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112651542 525243960 /nfs/dbraw/zinc/24/39/60/525243960.db2.gz CKAHLQDSSZHPFA-LLVKDONJSA-N 0 0 320.374 0.426 10 0 DCAERN COc1ccc2[nH]c(C(=O)N[C@H]3CCC(=O)NC3=O)cc2c1 ZINC000188470923 525478937 /nfs/dbraw/zinc/47/89/37/525478937.db2.gz SKQOCNOUNLNBIA-NSHDSACASA-N 0 0 301.302 0.712 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000190055671 525577015 /nfs/dbraw/zinc/57/70/15/525577015.db2.gz PXKMPXGMAIRIGU-GWCFXTLKSA-N 0 0 312.391 0.425 10 0 DCAERN C[C@H](c1ccccn1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549034 526122517 /nfs/dbraw/zinc/12/25/17/526122517.db2.gz YQMJGBKOCAGVDO-CHWSQXEVSA-N 0 0 304.394 0.798 10 0 DCAERN O=C(NCCc1nc(-c2ccccc2)n[nH]1)C(=O)NCC1CC1 ZINC000187917756 526458433 /nfs/dbraw/zinc/45/84/33/526458433.db2.gz VKYPMCWSSMLCDG-UHFFFAOYSA-N 0 0 313.361 0.657 10 0 DCAERN CC(=O)N(CCC(=O)N[C@H]1CCCNC1=O)Cc1ccccc1 ZINC000295601192 526487259 /nfs/dbraw/zinc/48/72/59/526487259.db2.gz LHBALLLOWGWTLU-HNNXBMFYSA-N 0 0 317.389 0.820 10 0 DCAERN O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CC(n2ccnn2)C1 ZINC000364724165 526527299 /nfs/dbraw/zinc/52/72/99/526527299.db2.gz VVINGEKVVYKPNN-CQSZACIVSA-N 0 0 315.308 0.994 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)cc1F ZINC000122481145 526572747 /nfs/dbraw/zinc/57/27/47/526572747.db2.gz KKKKSEZKFLTFSZ-NSHDSACASA-N 0 0 315.320 0.779 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000330915506 526591453 /nfs/dbraw/zinc/59/14/53/526591453.db2.gz JWVTZYCAUZXDKG-NSHDSACASA-N 0 0 304.412 0.327 10 0 DCAERN O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1cccnc1 ZINC000111229296 526793375 /nfs/dbraw/zinc/79/33/75/526793375.db2.gz XZCYJKHXWKFHPA-OAHLLOKOSA-N 0 0 315.377 0.295 10 0 DCAERN O=C(COCCOc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000112651172 526931152 /nfs/dbraw/zinc/93/11/52/526931152.db2.gz FHJXHERFXZJJKZ-CYBMUJFWSA-N 0 0 316.361 0.805 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1O)c1cc(N2CCOCC2)ccn1 ZINC000132486246 527024032 /nfs/dbraw/zinc/02/40/32/527024032.db2.gz DELXQVZSDMXDLE-DZGCQCFKSA-N 0 0 305.378 0.952 10 0 DCAERN Cn1c(=O)cccc1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366535767 527030268 /nfs/dbraw/zinc/03/02/68/527030268.db2.gz ZAOMFDNATCPPML-MRXNPFEDSA-N 0 0 306.362 0.795 10 0 DCAERN NC(=O)c1ncccc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000364185639 527102345 /nfs/dbraw/zinc/10/23/45/527102345.db2.gz HDBQFTZBGOEWON-GFCCVEGCSA-N 0 0 312.329 0.869 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCC1(C)COC1 ZINC000112617502 527114321 /nfs/dbraw/zinc/11/43/21/527114321.db2.gz KBRVHARFCGQMAD-UHFFFAOYSA-N 0 0 304.350 0.335 10 0 DCAERN O=C(Nc1cc(F)ccc1Cl)C(=O)N1CCNC(=O)CC1 ZINC000133741463 527124480 /nfs/dbraw/zinc/12/44/80/527124480.db2.gz KNJPLYNDPNRHTD-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN O=S(=O)(Cc1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000191086676 527196719 /nfs/dbraw/zinc/19/67/19/527196719.db2.gz YWIAOYZCKPONCI-QWRGUYRKSA-N 0 0 324.807 0.413 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CN3CCCC3=O)C2)cn1 ZINC000154399668 527244792 /nfs/dbraw/zinc/24/47/92/527244792.db2.gz LSZAZYROSMELNJ-LBPRGKRZSA-N 0 0 305.382 0.128 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)N2CCOC[C@H](O)C2)c1 ZINC000295784023 527367551 /nfs/dbraw/zinc/36/75/51/527367551.db2.gz ZFRAZMYUBSXULS-XHDPSFHLSA-N 0 0 306.362 0.909 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCOC[C@@H](O)C2)c1 ZINC000295784005 527367891 /nfs/dbraw/zinc/36/78/91/527367891.db2.gz ZFRAZMYUBSXULS-ABAIWWIYSA-N 0 0 306.362 0.909 10 0 DCAERN O=C(Nc1ccsc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000125209148 527465958 /nfs/dbraw/zinc/46/59/58/527465958.db2.gz JZTKLUQOFHYAMK-UHFFFAOYSA-N 0 0 317.374 0.825 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000152561647 527486081 /nfs/dbraw/zinc/48/60/81/527486081.db2.gz YPYYLWFEBLPCDV-JTQLQIEISA-N 0 0 308.769 0.709 10 0 DCAERN Cn1nccc1CCC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000130500725 527602965 /nfs/dbraw/zinc/60/29/65/527602965.db2.gz DGFFCQRJVPVFNY-CYBMUJFWSA-N 0 0 319.386 0.998 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000130931014 527652373 /nfs/dbraw/zinc/65/23/73/527652373.db2.gz PEALKZNIMWLTNH-CYBMUJFWSA-N 0 0 318.381 0.871 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@H](C)COC)C1 ZINC000246715845 527946457 /nfs/dbraw/zinc/94/64/57/527946457.db2.gz NRDVRUBIAARYNT-VXGBXAGGSA-N 0 0 306.428 0.732 10 0 DCAERN CC(C)CN1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1=O ZINC000187982906 527995560 /nfs/dbraw/zinc/99/55/60/527995560.db2.gz RTKNMJHUDSMYQE-UHFFFAOYSA-N 0 0 322.365 0.388 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)NCc2noc(C)n2)C1(C)C ZINC000188935674 528153483 /nfs/dbraw/zinc/15/34/83/528153483.db2.gz BESBSHKESIJQND-IINYFYTJSA-N 0 0 312.370 0.743 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733731 528217894 /nfs/dbraw/zinc/21/78/94/528217894.db2.gz GLILUNQDDADZRE-NSHDSACASA-N 0 0 315.443 0.893 10 0 DCAERN CCCCNC(=O)[C@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000176574982 528539009 /nfs/dbraw/zinc/53/90/09/528539009.db2.gz WXEULZJPQCEKAH-FVINQWEUSA-N 0 0 301.416 0.808 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCNC(=O)C2)CC[S@]1=O ZINC000186714632 529071942 /nfs/dbraw/zinc/07/19/42/529071942.db2.gz UFQGSCUXCHMBDO-YBTHPKLGSA-N 0 0 300.424 0.662 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178424710 529360183 /nfs/dbraw/zinc/36/01/83/529360183.db2.gz GGANXMMZRZUXBS-ZYHUDNBSSA-N 0 0 300.403 0.361 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c1 ZINC000457685310 536882068 /nfs/dbraw/zinc/88/20/68/536882068.db2.gz ZNROUYBHNZUBHQ-AWEZNQCLSA-N 0 0 317.345 0.979 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000074812686 545671794 /nfs/dbraw/zinc/67/17/94/545671794.db2.gz IDEMUQJWPQLYOI-UHFFFAOYSA-N 0 0 322.386 0.885 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000080765580 545690154 /nfs/dbraw/zinc/69/01/54/545690154.db2.gz RCMMXTDMFOSYHY-HBNTYKKESA-N 0 0 312.395 0.191 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cnn(CC2CC2)c1 ZINC000081484307 545694815 /nfs/dbraw/zinc/69/48/15/545694815.db2.gz JTJJGHXVEJDMSZ-UHFFFAOYSA-N 0 0 305.338 0.562 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(CO)C2)cc1NC(C)=O ZINC000091478364 545718055 /nfs/dbraw/zinc/71/80/55/545718055.db2.gz PRPDBWKDPAVABM-UHFFFAOYSA-N 0 0 314.363 0.266 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)NCc1ccccc1F ZINC000170316148 545880646 /nfs/dbraw/zinc/88/06/46/545880646.db2.gz LENOTJZDMGRTNT-UHFFFAOYSA-N 0 0 321.352 0.571 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCC(=O)N1CCCCC1)C(C)C ZINC000178415725 545895883 /nfs/dbraw/zinc/89/58/83/545895883.db2.gz LKDCOWGNTRSPAY-CYBMUJFWSA-N 0 0 312.414 0.459 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2ccc(Cl)cn2)C1=O ZINC000181621944 545903264 /nfs/dbraw/zinc/90/32/64/545903264.db2.gz HHLUBWRYMSDJOV-UHFFFAOYSA-N 0 0 310.741 0.682 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCn1ccnn1 ZINC000182877020 545906344 /nfs/dbraw/zinc/90/63/44/545906344.db2.gz YPSUTCCAIWLUOQ-LLVKDONJSA-N 0 0 318.385 0.656 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)NCCCn2ccnn2)CC1 ZINC000183524355 545908096 /nfs/dbraw/zinc/90/80/96/545908096.db2.gz LNHRTYQYGWKKPM-UHFFFAOYSA-N 0 0 322.413 0.568 10 0 DCAERN CCOCCN1CCN(C(=O)c2cnn(C)c2N)C[C@@H]1CC ZINC000184656008 545910308 /nfs/dbraw/zinc/91/03/08/545910308.db2.gz YSYKTPXUDKEJMY-LBPRGKRZSA-N 0 0 309.414 0.575 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccncc2)C1 ZINC000185757040 545912205 /nfs/dbraw/zinc/91/22/05/545912205.db2.gz DVDIFERETXUQGB-UHFFFAOYSA-N 0 0 320.393 0.516 10 0 DCAERN CCc1ccc(CCNC(=O)N2CC(NC(=O)COC)C2)cc1 ZINC000185460736 545912602 /nfs/dbraw/zinc/91/26/02/545912602.db2.gz XYAYAFUVFNKOEF-UHFFFAOYSA-N 0 0 319.405 0.948 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cn3ccnc3s2)O1 ZINC000188758848 545917649 /nfs/dbraw/zinc/91/76/49/545917649.db2.gz KVBAUZGWSVCJOR-ZJUUUORDSA-N 0 0 322.390 0.761 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188734539 545918281 /nfs/dbraw/zinc/91/82/81/545918281.db2.gz ANRUDOWTEVXFQL-NSHDSACASA-N 0 0 308.407 0.925 10 0 DCAERN CC(C)[C@H](NC(=O)[C@H]1CCCO[C@H]1C)C(=O)N1CCOCC1 ZINC000189107255 545919587 /nfs/dbraw/zinc/91/95/87/545919587.db2.gz JTSHKQUESYASTL-IHRRRGAJSA-N 0 0 312.410 0.801 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2coc(C3CCC3)n2)C1 ZINC000192586664 545927863 /nfs/dbraw/zinc/92/78/63/545927863.db2.gz HVSIVANJUFKKIV-JTQLQIEISA-N 0 0 313.379 0.706 10 0 DCAERN CCn1ncnc1CN1CCCN(Cc2noc(C)n2)CC1 ZINC000193337544 545930947 /nfs/dbraw/zinc/93/09/47/545930947.db2.gz NRYMXZWFFUNMPJ-UHFFFAOYSA-N 0 0 305.386 0.697 10 0 DCAERN Cc1c(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)ccn1C ZINC000195105149 545932867 /nfs/dbraw/zinc/93/28/67/545932867.db2.gz XRBGAXSLPAVQMY-UHFFFAOYSA-N 0 0 313.361 0.917 10 0 DCAERN CC(=O)c1nccn1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000281281756 545997661 /nfs/dbraw/zinc/99/76/61/545997661.db2.gz XDVWJZFGNWRJGX-AWEZNQCLSA-N 0 0 322.409 0.559 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2N)CCS1(=O)=O ZINC000329276185 546045275 /nfs/dbraw/zinc/04/52/75/546045275.db2.gz KHGFCPMNRDUMQH-MRVPVSSYSA-N 0 0 310.379 0.195 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1O)S(=O)(=O)C1CCOCC1 ZINC000332750471 546059590 /nfs/dbraw/zinc/05/95/90/546059590.db2.gz UCZFUFUXRKSOAL-KGYLQXTDSA-N 0 0 319.423 0.388 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CCCC[C@@H]1CO ZINC000332853845 546063553 /nfs/dbraw/zinc/06/35/53/546063553.db2.gz WBKPTVFOKUFXLB-MROQNXINSA-N 0 0 309.370 0.068 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000332960430 546067597 /nfs/dbraw/zinc/06/75/97/546067597.db2.gz VLVORABRYGEWDF-YNEHKIRRSA-N 0 0 320.393 0.847 10 0 DCAERN Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CC3(C)C)OCC(=O)N2C)cn1 ZINC000333108093 546072066 /nfs/dbraw/zinc/07/20/66/546072066.db2.gz DMRKPZNFUQHXNB-RAIGVLPGSA-N 0 0 306.366 0.233 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000380719914 546215999 /nfs/dbraw/zinc/21/59/99/546215999.db2.gz JINLGUGUBKXEMF-UWVGGRQHSA-N 0 0 304.343 0.178 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2N)C1 ZINC000402951595 546226846 /nfs/dbraw/zinc/22/68/46/546226846.db2.gz RQOXTBIAVLBBOE-ZDUSSCGKSA-N 0 0 300.380 0.431 10 0 DCAERN CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000429186345 546249429 /nfs/dbraw/zinc/24/94/29/546249429.db2.gz XAHGUSVGFSAJGY-QJPTWQEYSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@@H]1CN(Cc2cnc([N-]S(C)(=O)=O)s2)CC[C@H]1[NH3+] ZINC000725272274 548749914 /nfs/dbraw/zinc/74/99/14/548749914.db2.gz OOGLQWZBYBTIHF-PSASIEDQSA-N 0 0 304.441 0.684 10 0 DCAERN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1NS(C)(=O)=O ZINC000725273103 548750341 /nfs/dbraw/zinc/75/03/41/548750341.db2.gz ZATWXYFBDXJOQN-PSASIEDQSA-N 0 0 304.441 0.485 10 0 DCAERN CSCC[C@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000050027874 571769599 /nfs/dbraw/zinc/76/95/99/571769599.db2.gz KYPMKDGKAYQCHO-NEPJUHHUSA-N 0 0 312.391 0.585 10 0 endogenous,in-man DCAERN O=S(=O)(N1CCNCC1)N1CCS[C@@H](C(F)(F)F)C1 ZINC000721395120 660997243 /nfs/dbraw/zinc/99/72/43/660997243.db2.gz ZZXQKLNVYXOSLR-MRVPVSSYSA-N 0 0 319.374 0.116 10 0 DCAERN Cc1nonc1CC(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888094720 661162065 /nfs/dbraw/zinc/16/20/65/661162065.db2.gz BGCQGZNFDJXQTO-WCQYABFASA-N 0 0 305.338 0.770 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCN2CCNC2=O)C1 ZINC000888102645 661183470 /nfs/dbraw/zinc/18/34/70/661183470.db2.gz CTMAKWGFNGZOQZ-OLZOCXBDSA-N 0 0 307.398 0.814 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000717383751 667737053 /nfs/dbraw/zinc/73/70/53/667737053.db2.gz GHFFENVDSNVKRO-XNCJUZBTSA-N 0 0 323.574 0.969 10 0 DCAERN COCc1nn(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(=O)o1 ZINC000177169984 657508323 /nfs/dbraw/zinc/50/83/23/657508323.db2.gz WWNMUBMJTRLNQL-SNVBAGLBSA-N 0 0 313.354 0.604 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCCSC(F)(F)F ZINC000725006409 658018262 /nfs/dbraw/zinc/01/82/62/658018262.db2.gz QCQOLOYTLAYFKW-ZETCQYMHSA-N 0 0 320.358 0.132 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCCC1CCCCC1 ZINC000725016407 658021396 /nfs/dbraw/zinc/02/13/96/658021396.db2.gz GDHXVEUUFIQFIY-CYBMUJFWSA-N 0 0 302.440 0.850 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)N(Cc1ccccc1)C1CC1 ZINC000725011823 658025255 /nfs/dbraw/zinc/02/52/55/658025255.db2.gz QZEQZPSTUNNMHD-OAHLLOKOSA-N 0 0 322.430 0.954 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CC(F)(F)C(F)(F)F)CCC1 ZINC000721561924 658031212 /nfs/dbraw/zinc/03/12/12/658031212.db2.gz SBJVTTVBNVDGKW-UHFFFAOYSA-N 0 0 324.271 0.902 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OC ZINC000724193154 658043959 /nfs/dbraw/zinc/04/39/59/658043959.db2.gz NMHQSMJWKMCLSC-YUMQZZPRSA-N 0 0 320.392 0.728 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cccc(F)c2F)CCC1 ZINC000721568559 658050582 /nfs/dbraw/zinc/05/05/82/658050582.db2.gz SXPQSXNSVRDXBJ-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000077138700 658198820 /nfs/dbraw/zinc/19/88/20/658198820.db2.gz ROMUKBDZLWFHQI-GHMZBOCLSA-N 0 0 312.391 0.892 10 0 DCAERN CCC(CC)(NS(=O)(=O)c1c(C)nn(C)c1Cl)C(N)=O ZINC000161212058 658359068 /nfs/dbraw/zinc/35/90/68/658359068.db2.gz ALJNWRYHPXHRSD-UHFFFAOYSA-N 0 0 322.818 0.704 10 0 DCAERN CC(C)OCCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255252618 658381606 /nfs/dbraw/zinc/38/16/06/658381606.db2.gz PYQVCZYPTFYINU-SREVYHEPSA-N 0 0 310.350 0.456 10 0 DCAERN COCCOC[C@H](O)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721413389 658603144 /nfs/dbraw/zinc/60/31/44/658603144.db2.gz UGEPTVSJPPSTNV-NXEZZACHSA-N 0 0 303.346 0.990 10 0 DCAERN COCCN(CCO)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255556924 658721379 /nfs/dbraw/zinc/72/13/79/658721379.db2.gz BCXIWOAIWDDFLD-LBPRGKRZSA-N 0 0 310.398 0.155 10 0 DCAERN COC(CN1CCN(c2cc(C)nc3ncnn32)CC1)OC ZINC000160932913 658726100 /nfs/dbraw/zinc/72/61/00/658726100.db2.gz SHERPLBQMMNAIH-UHFFFAOYSA-N 0 0 306.370 0.174 10 0 DCAERN Cn1nc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1C1CC1 ZINC000888079441 658731897 /nfs/dbraw/zinc/73/18/97/658731897.db2.gz DXCBYCHQFFFZAR-ZLKJLUDKSA-N 0 0 301.350 0.598 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)COCC(C)C ZINC000356527149 665608699 /nfs/dbraw/zinc/60/86/99/665608699.db2.gz FMICOTMZAGYCPD-RYUDHWBXSA-N 0 0 304.412 0.058 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C1CCC1 ZINC000176765086 658876617 /nfs/dbraw/zinc/87/66/17/658876617.db2.gz VDSVLCJEWBGDJN-ZJUUUORDSA-N 0 0 315.395 0.819 10 0 DCAERN O=c1c(Br)cncn1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724667297 658899638 /nfs/dbraw/zinc/89/96/38/658899638.db2.gz ZNZGXXZNVVHOQE-WEDXCCLWSA-N 0 0 301.140 0.810 10 0 DCAERN CCC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)[O-] ZINC000262274802 658929683 /nfs/dbraw/zinc/92/96/83/658929683.db2.gz JFNDVSLZWMWSEQ-CYBMUJFWSA-N 0 0 320.393 0.817 10 0 DCAERN Cc1ccn2ncc(C(=O)O[C@@H](C)CN3CCOCC3)c2n1 ZINC000181655924 659063831 /nfs/dbraw/zinc/06/38/31/659063831.db2.gz AXPIRJIWMXLEKK-LBPRGKRZSA-N 0 0 304.350 0.915 10 0 DCAERN C[C@@]1(C(=O)NCCCn2ccnn2)Cc2ccccc2C(=O)O1 ZINC000182946966 659149477 /nfs/dbraw/zinc/14/94/77/659149477.db2.gz HLVXHSXUAWLKNY-INIZCTEOSA-N 0 0 314.345 0.956 10 0 DCAERN O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185135756 659242736 /nfs/dbraw/zinc/24/27/36/659242736.db2.gz NBGPZUXBRHWRSO-VIFPVBQESA-N 0 0 322.243 0.971 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000310469362 659342622 /nfs/dbraw/zinc/34/26/22/659342622.db2.gz AVTBRKHPXLRSEQ-SSDOTTSWSA-N 0 0 302.176 0.402 10 0 DCAERN CCN1CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1=O ZINC000191527660 659395714 /nfs/dbraw/zinc/39/57/14/659395714.db2.gz IFGRICYATFTQLF-QMMMGPOBSA-N 0 0 310.379 0.296 10 0 DCAERN C[C@H](C(=O)O[C@@H]1CCS(=O)(=O)C1)N(C)CC(F)(F)F ZINC000194912525 659522185 /nfs/dbraw/zinc/52/21/85/659522185.db2.gz KQDRXCALAYLUCO-HTQZYQBOSA-N 0 0 303.302 0.599 10 0 DCAERN CCN(C(=S)NC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000048227093 659668243 /nfs/dbraw/zinc/66/82/43/659668243.db2.gz YHJQSHCRCWAHRV-QWRGUYRKSA-N 0 0 306.453 0.549 10 0 DCAERN COc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)cc(OC)c1OC ZINC000196163564 659697999 /nfs/dbraw/zinc/69/79/99/659697999.db2.gz OHOHETNACSZECL-VIFPVBQESA-N 0 0 322.317 0.247 10 0 DCAERN O=CN1CCC(OC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000181959513 665699976 /nfs/dbraw/zinc/69/99/76/665699976.db2.gz MGVCXUKABYAXPH-LBPRGKRZSA-N 0 0 320.345 0.792 10 0 DCAERN O=C(N[C@@H]1COc2ccccc21)N[C@@H]1CCCS(=O)(=O)C1 ZINC000332804267 659757671 /nfs/dbraw/zinc/75/76/71/659757671.db2.gz DYHQDHCOGSECTD-ZYHUDNBSSA-N 0 0 310.375 0.997 10 0 DCAERN CC(C)/C=C\C(=O)N1CCC[C@@H](CNS(=O)(=O)N(C)C)C1 ZINC000056635818 665760945 /nfs/dbraw/zinc/76/09/45/665760945.db2.gz VAHAOMMYTLGHMH-WSROAFLRSA-N 0 0 317.455 0.833 10 0 DCAERN Cc1ccnc(-c2noc(C[C@@H]3CS(=O)(=O)CCN3)n2)c1 ZINC000126131518 661455526 /nfs/dbraw/zinc/45/55/26/661455526.db2.gz INFXNLJVGQXVPC-SNVBAGLBSA-N 0 0 308.363 0.369 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000338948014 661808647 /nfs/dbraw/zinc/80/86/47/661808647.db2.gz AFGNMKNWDMUGGE-VXGBXAGGSA-N 0 0 307.375 0.251 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000159944434 662030332 /nfs/dbraw/zinc/03/03/32/662030332.db2.gz PKYXQTPOVCXEQF-CYBMUJFWSA-N 0 0 317.345 0.859 10 0 DCAERN COc1ncc(Cl)c(NCC[C@@H]2CNCCS2(=O)=O)n1 ZINC000721815274 662108791 /nfs/dbraw/zinc/10/87/91/662108791.db2.gz SFBZTSNEXFETOL-MRVPVSSYSA-N 0 0 320.802 0.327 10 0 DCAERN COc1ccc(CCCNC(=S)NCC(N)=O)cc1OC ZINC000727086233 662134717 /nfs/dbraw/zinc/13/47/17/662134717.db2.gz XXIBIWJPBMGHSK-UHFFFAOYSA-N 0 0 311.407 0.586 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000440164398 662446104 /nfs/dbraw/zinc/44/61/04/662446104.db2.gz WAPRSHWTPRDERF-SNVBAGLBSA-N 0 0 314.411 0.739 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)C(F)(F)C(F)F)CCO1 ZINC000262924292 662599697 /nfs/dbraw/zinc/59/96/97/662599697.db2.gz LFUCSDVVTPMJNR-ZETCQYMHSA-N 0 0 316.251 0.131 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000250746512 662660338 /nfs/dbraw/zinc/66/03/38/662660338.db2.gz RAOUKEWHCKUEMK-TUAOUCFPSA-N 0 0 304.412 0.342 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000263452626 662689890 /nfs/dbraw/zinc/68/98/90/662689890.db2.gz GPNKNBFJDWMTIS-OKZRHMCRSA-N 0 0 313.398 0.743 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](C)[C@@H](C)O ZINC000344957661 663081575 /nfs/dbraw/zinc/08/15/75/663081575.db2.gz UCFZUVGSHWWCNF-JGVFFNPUSA-N 0 0 305.327 0.660 10 0 DCAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3OCCN(C)C3=O)C2)n1 ZINC000900605837 663260406 /nfs/dbraw/zinc/26/04/06/663260406.db2.gz ZHYJNMSTEVWCAS-ZIAGYGMSSA-N 0 0 320.393 0.521 10 0 DCAERN COc1cc2c(nn1)CCN(C(=O)CNC(=O)N1CCCC1)C2 ZINC000901095733 663317518 /nfs/dbraw/zinc/31/75/18/663317518.db2.gz QTDRMSKOTRXJGJ-UHFFFAOYSA-N 0 0 319.365 0.175 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC000436189842 663431230 /nfs/dbraw/zinc/43/12/30/663431230.db2.gz UVPLNCOJIVWHEN-WPRPVWTQSA-N 0 0 303.322 0.029 10 0 DCAERN COC(=O)[C@@]1(NC(=O)c2ccnc3[nH]c(C)nc32)CCOC1 ZINC000436173996 663432094 /nfs/dbraw/zinc/43/20/94/663432094.db2.gz IEQMEIJNMURZHG-CQSZACIVSA-N 0 0 304.306 0.328 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c(C2CC2)n1 ZINC000909189101 663785834 /nfs/dbraw/zinc/78/58/34/663785834.db2.gz ZSKMXKOFQCEBAG-MBNYWOFBSA-N 0 0 301.350 0.598 10 0 DCAERN NS(=O)(=O)C1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000910534449 663901829 /nfs/dbraw/zinc/90/18/29/663901829.db2.gz VYQLFWHBQSWQFU-KGLIPLIRSA-N 0 0 324.402 0.654 10 0 DCAERN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCOC[C@@H]1CO ZINC000912420692 664174165 /nfs/dbraw/zinc/17/41/65/664174165.db2.gz MFOFMYCWZBRQRR-NSHDSACASA-N 0 0 323.324 0.189 10 0 DCAERN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1CCOC[C@H]1CO ZINC000912424568 664174588 /nfs/dbraw/zinc/17/45/88/664174588.db2.gz GDMICXUEDKQOQA-UKRRQHHQSA-N 0 0 307.346 0.688 10 0 DCAERN O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCOC[C@H]1CO ZINC000912424006 664174625 /nfs/dbraw/zinc/17/46/25/664174625.db2.gz ZXJMGQRWTOKWLH-TZMCWYRMSA-N 0 0 310.394 0.387 10 0 DCAERN COc1ccc([C@@H](C)C(=O)NC[C@]2(CO)COCCN2)cc1 ZINC000913189523 664286723 /nfs/dbraw/zinc/28/67/23/664286723.db2.gz YQEKCVCJDZTQDW-WBMJQRKESA-N 0 0 308.378 0.266 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163712878 664356819 /nfs/dbraw/zinc/35/68/19/664356819.db2.gz AOUYCKXLSOVEGG-IUCAKERBSA-N 0 0 308.313 0.272 10 0 DCAERN CC1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CCC1 ZINC000164303721 664373048 /nfs/dbraw/zinc/37/30/48/664373048.db2.gz IGJBJECGOBFPTD-UHFFFAOYSA-N 0 0 304.412 0.850 10 0 DCAERN CCOC(=O)N1CCN(c2ncnc3c2NC(=O)[C@H](C)N3)CC1 ZINC000223981538 664428206 /nfs/dbraw/zinc/42/82/06/664428206.db2.gz GJCPLNPABYISIL-VIFPVBQESA-N 0 0 320.353 0.508 10 0 DCAERN CC(C)OC[C@@H](O)CSc1nnc(-c2ccccn2)n1N ZINC000157644246 664483949 /nfs/dbraw/zinc/48/39/49/664483949.db2.gz GYEHSAVQIVAERE-SNVBAGLBSA-N 0 0 309.395 0.932 10 0 DCAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CCO)c1 ZINC000157855075 664510884 /nfs/dbraw/zinc/51/08/84/664510884.db2.gz XUYJMPHFRRYHIX-UHFFFAOYSA-N 0 0 320.798 0.655 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)[C@@H](C)C1 ZINC000226680964 664520646 /nfs/dbraw/zinc/52/06/46/664520646.db2.gz NXVWPUSRBHSNBI-XQHKEYJVSA-N 0 0 302.440 0.704 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCN(c3cccnn3)CC2)CCO1 ZINC000171548081 664609972 /nfs/dbraw/zinc/60/99/72/664609972.db2.gz OHIGWISGCDMRRM-AWEZNQCLSA-N 0 0 319.409 0.236 10 0 DCAERN CN(Cc1ccc(F)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000172975520 664626239 /nfs/dbraw/zinc/62/62/39/664626239.db2.gz ABXXPVIYPKIHHB-UHFFFAOYSA-N 0 0 309.384 0.632 10 0 DCAERN Cn1cc(/C=C/C(=O)OCC(F)(F)C(F)F)c(=O)n(C)c1=O ZINC000174474851 664639762 /nfs/dbraw/zinc/63/97/62/664639762.db2.gz LPJOMRGKZCZGRS-ONEGZZNKSA-N 0 0 324.230 0.541 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCC(C)CC1 ZINC000730307766 664682035 /nfs/dbraw/zinc/68/20/35/664682035.db2.gz DHLHSYGCXKCMRJ-GFCCVEGCSA-N 0 0 314.407 0.710 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CN2CCCC2=O)CC1 ZINC000152660141 664768135 /nfs/dbraw/zinc/76/81/35/664768135.db2.gz FXSRNYIWPXWKFZ-UHFFFAOYSA-N 0 0 305.426 0.734 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000324289744 664789290 /nfs/dbraw/zinc/78/92/90/664789290.db2.gz RSCBYFCGXYFZTO-ZJUUUORDSA-N 0 0 309.453 0.430 10 0 DCAERN CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CNC(=O)N2)c1 ZINC000732362326 664921898 /nfs/dbraw/zinc/92/18/98/664921898.db2.gz PKHLZSGSBAXEHR-NSHDSACASA-N 0 0 305.290 0.052 10 0 DCAERN CN(C)c1cc(C(=O)NCCS(C)(=O)=O)cc(Cl)n1 ZINC000733097319 665069039 /nfs/dbraw/zinc/06/90/39/665069039.db2.gz LOVQGFVILJNSDJ-UHFFFAOYSA-N 0 0 305.787 0.575 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)Cc2ccn(C)n2)C1 ZINC000183305146 666023704 /nfs/dbraw/zinc/02/37/04/666023704.db2.gz WLLUPFWUORKNOM-CYBMUJFWSA-N 0 0 309.366 0.533 10 0 DCAERN C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798487 666115754 /nfs/dbraw/zinc/11/57/54/666115754.db2.gz XIEWPMADUTVJNY-CMPLNLGQSA-N 0 0 309.366 0.917 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(C(N)=S)cc2)c1 ZINC000186612475 666547661 /nfs/dbraw/zinc/54/76/61/666547661.db2.gz FWMNWFSKXDJACK-UHFFFAOYSA-N 0 0 303.343 0.943 10 0 DCAERN Cc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1S(N)(=O)=O ZINC000073923084 666598378 /nfs/dbraw/zinc/59/83/78/666598378.db2.gz PTCISHJHCIVUME-GHMZBOCLSA-N 0 0 312.391 0.892 10 0 DCAERN CN1CCOC[C@@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000700239118 666696295 /nfs/dbraw/zinc/69/62/95/666696295.db2.gz VMYHQYLEZXMUSU-QMMMGPOBSA-N 0 0 323.777 0.483 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c(F)c(F)nc(F)c1F ZINC000700320900 666713361 /nfs/dbraw/zinc/71/33/61/666713361.db2.gz WLZNUYMFVFKKDZ-UHNVWZDZSA-N 0 0 314.260 0.862 10 0 DCAERN CN(C)c1cc(C(=O)OCCNS(C)(=O)=O)cc(Cl)n1 ZINC000733569988 666767035 /nfs/dbraw/zinc/76/70/35/666767035.db2.gz HDOUHFMDNCVZSH-UHFFFAOYSA-N 0 0 321.786 0.507 10 0 DCAERN CN(C)c1cc(C(=O)OCCN2CCNC2=O)cc(Cl)n1 ZINC000733689220 666797666 /nfs/dbraw/zinc/79/76/66/666797666.db2.gz KKPOYDDBGRWIIY-UHFFFAOYSA-N 0 0 312.757 0.983 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccnc1OCCOC ZINC000733882887 666823689 /nfs/dbraw/zinc/82/36/89/666823689.db2.gz QWRWLSGPLSUMMR-HXUWFJFHSA-N 0 0 300.380 0.605 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000733961425 666832199 /nfs/dbraw/zinc/83/21/99/666832199.db2.gz TVEVDSAYAFKNLW-RDLWGGRYSA-N 0 0 314.329 0.328 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000733960850 666832318 /nfs/dbraw/zinc/83/23/18/666832318.db2.gz AZQVGXXKBVKLLY-IPQOISQHSA-N 0 0 323.418 0.315 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000733960985 666832366 /nfs/dbraw/zinc/83/23/66/666832366.db2.gz PYIATORIIJALEG-NRFANRHFSA-N 0 0 307.379 0.469 10 0 DCAERN CC[S@](=O)CCNC(=O)COc1cc(OC)ccc1C=O ZINC000734436954 666875117 /nfs/dbraw/zinc/87/51/17/666875117.db2.gz HEBCVPLWLNWBGG-NRFANRHFSA-N 0 0 313.375 0.771 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000735108249 666947267 /nfs/dbraw/zinc/94/72/67/666947267.db2.gz PMTYCTYKBQDNOO-MCMMXHMISA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccc(C(=O)NC)cc1 ZINC000735090506 666949770 /nfs/dbraw/zinc/94/97/70/666949770.db2.gz QBBLJTLKAJIXID-OAQYLSRUSA-N 0 0 311.407 0.614 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(=O)Nc1cccc(F)c1 ZINC000735110697 666954554 /nfs/dbraw/zinc/95/45/54/666954554.db2.gz MAILUKCJHWXQQH-NRFANRHFSA-N 0 0 315.370 0.832 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000735110986 666954818 /nfs/dbraw/zinc/95/48/18/666954818.db2.gz PHVLTMMCRVSZIK-LAJNKCICSA-N 0 0 315.439 0.551 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000735201201 666968433 /nfs/dbraw/zinc/96/84/33/666968433.db2.gz UXYRTJQHBBJVHR-OAQYLSRUSA-N 0 0 311.407 0.576 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(COC)c1 ZINC000735202642 666968454 /nfs/dbraw/zinc/96/84/54/666968454.db2.gz YJCABKIYQKHURL-OAQYLSRUSA-N 0 0 312.391 0.656 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC000702830310 667000991 /nfs/dbraw/zinc/00/09/91/667000991.db2.gz JYQPVFVTQLXLMB-RYUDHWBXSA-N 0 0 324.381 0.227 10 0 DCAERN CCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702841440 667010198 /nfs/dbraw/zinc/01/01/98/667010198.db2.gz GPSADNBWPBSKIU-ZJUUUORDSA-N 0 0 308.400 0.154 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000703115112 667049049 /nfs/dbraw/zinc/04/90/49/667049049.db2.gz ZPYCVIGMYPAWNY-SSDOTTSWSA-N 0 0 321.761 0.631 10 0 DCAERN Cc1ccc(C(=O)N2CC(NS(C)(=O)=O)C2)c(Cl)n1 ZINC000703129703 667062408 /nfs/dbraw/zinc/06/24/08/667062408.db2.gz QIIKUKXQCSDUTC-UHFFFAOYSA-N 0 0 303.771 0.417 10 0 DCAERN CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000703504658 667092541 /nfs/dbraw/zinc/09/25/41/667092541.db2.gz FSKGJFMZWSBHAN-KNVOCYPGSA-N 0 0 321.761 0.759 10 0 DCAERN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCNC(N)=O ZINC000736107885 667098178 /nfs/dbraw/zinc/09/81/78/667098178.db2.gz PUADZDXJHLYUNX-JTQLQIEISA-N 0 0 302.334 0.286 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(Cn2nc(COC)oc2=O)C1 ZINC000119630460 667177773 /nfs/dbraw/zinc/17/77/73/667177773.db2.gz JABXHXQYKGVGBP-LLVKDONJSA-N 0 0 312.370 0.321 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NC3(C(N)=O)CC3)CC2=O)cc1 ZINC000119723717 667197220 /nfs/dbraw/zinc/19/72/20/667197220.db2.gz LEFMMXDHJZVBQH-LLVKDONJSA-N 0 0 301.346 0.482 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000704294492 667202450 /nfs/dbraw/zinc/20/24/50/667202450.db2.gz XMZSSBYCOHNMRQ-TUAOUCFPSA-N 0 0 318.464 0.260 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)[nH]n1 ZINC000864842940 667289156 /nfs/dbraw/zinc/28/91/56/667289156.db2.gz ULGXIGANCHYNNG-SNVBAGLBSA-N 0 0 316.365 0.909 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000120645748 667335068 /nfs/dbraw/zinc/33/50/68/667335068.db2.gz HJKZDNYFHNDVMH-RKDXNWHRSA-N 0 0 324.768 0.834 10 0 DCAERN CCOCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705746655 667370659 /nfs/dbraw/zinc/37/06/59/667370659.db2.gz SNBSJAKAKUBPIG-NEPJUHHUSA-N 0 0 316.398 0.757 10 0 DCAERN C[C@@H](CCO)NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000121084271 667378631 /nfs/dbraw/zinc/37/86/31/667378631.db2.gz ZLMKYRVSIKCGNG-BWNDKRECSA-N 0 0 312.391 0.958 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCNC(=O)CC2(C)C)C1 ZINC000708150797 667442058 /nfs/dbraw/zinc/44/20/58/667442058.db2.gz ZPONCNATABEKOA-NSHDSACASA-N 0 0 303.428 0.564 10 0 DCAERN CNC(=O)[C@@H]1CCCN(S(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708220218 667442318 /nfs/dbraw/zinc/44/23/18/667442318.db2.gz BIEIAYYLXXGVRH-SNVBAGLBSA-N 0 0 302.396 0.286 10 0 DCAERN C[C@@H]1CN(C(=O)c2c(Br)cnn2C)C[C@H]1CO ZINC000708642361 667443183 /nfs/dbraw/zinc/44/31/83/667443183.db2.gz VWEGKZDCHNUGRA-SFYZADRCSA-N 0 0 302.172 0.883 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1cccnc1Cl ZINC000709487219 667444946 /nfs/dbraw/zinc/44/49/46/667444946.db2.gz IQGYUXQHXGEZBF-SNVBAGLBSA-N 0 0 319.814 0.686 10 0 DCAERN COC(=O)C1(C(=O)Cn2cncc(Br)c2=O)CC1 ZINC000709812174 667445798 /nfs/dbraw/zinc/44/57/98/667445798.db2.gz WOFGNQFNMUSVTL-UHFFFAOYSA-N 0 0 315.123 0.528 10 0 DCAERN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(CO)CC1 ZINC000710040603 667445961 /nfs/dbraw/zinc/44/59/61/667445961.db2.gz CLFSNIRECLLWTK-SFHVURJKSA-N 0 0 312.457 0.832 10 0 DCAERN COC(=O)c1cn(CN2CCN(Cc3ccncc3)CC2)nn1 ZINC000075666138 667485195 /nfs/dbraw/zinc/48/51/95/667485195.db2.gz OHOHJZWFDNJGIL-UHFFFAOYSA-N 0 0 316.365 0.235 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2cc(C=O)ccc2OC)n1 ZINC000739435030 667702872 /nfs/dbraw/zinc/70/28/72/667702872.db2.gz DCKMXQUWISZOMT-UHFFFAOYSA-N 0 0 302.286 0.899 10 0 DCAERN Cc1ccc(Br)c(N2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000712347526 667721391 /nfs/dbraw/zinc/72/13/91/667721391.db2.gz SDUWMRHXYNNZFF-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCCc2nccnc2C)C1=O ZINC000886078260 667729519 /nfs/dbraw/zinc/72/95/19/667729519.db2.gz RDNXFTMPGOYCCY-CQSZACIVSA-N 0 0 320.393 0.471 10 0 DCAERN CCc1[nH]ccc1C(=O)N1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000886084707 667730156 /nfs/dbraw/zinc/73/01/56/667730156.db2.gz BKPOPSJAZUZLIA-SMDDNHRTSA-N 0 0 303.366 0.960 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)Cc2ccco2)C1 ZINC000886094590 667731881 /nfs/dbraw/zinc/73/18/81/667731881.db2.gz ALLURIDHOHDKOB-HNNXBMFYSA-N 0 0 304.350 0.547 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741193631 667760986 /nfs/dbraw/zinc/76/09/86/667760986.db2.gz RVDVQHIPDQPTMG-OYHNWAKOSA-N 0 0 324.446 0.772 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCCC[C@@H]2C2OCCO2)n1 ZINC000742149318 667781154 /nfs/dbraw/zinc/78/11/54/667781154.db2.gz IAPNYOGKWZEYMU-GFCCVEGCSA-N 0 0 323.349 0.215 10 0 DCAERN COC(=O)/C(C)=C/CN1C(=O)N[C@@](C)(c2ccccn2)C1=O ZINC000742205428 667783862 /nfs/dbraw/zinc/78/38/62/667783862.db2.gz BYHXMYUHJXVLHU-VSGCLNPGSA-N 0 0 303.318 0.968 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000742658064 667796089 /nfs/dbraw/zinc/79/60/89/667796089.db2.gz KFIIORODQPXGNQ-XFNZEKPQSA-N 0 0 321.406 0.786 10 0 DCAERN COCCS(=O)(=O)CC(=O)N[C@@](C)(COC)C(F)(F)F ZINC000742900333 667800734 /nfs/dbraw/zinc/80/07/34/667800734.db2.gz QPXUHNHBKGHVPR-VIFPVBQESA-N 0 0 321.317 0.131 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc2n(n1)CCCC2 ZINC000886996131 667829852 /nfs/dbraw/zinc/82/98/52/667829852.db2.gz TWFHZCXZARJFGD-ZIAGYGMSSA-N 0 0 305.378 0.879 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCc2sccc2C1 ZINC000126425340 668580711 /nfs/dbraw/zinc/58/07/11/668580711.db2.gz BAEVVNWMNJBICZ-LLVKDONJSA-N 0 0 314.432 0.410 10 0 DCAERN CN(Cc1cccc(F)c1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126472713 668600717 /nfs/dbraw/zinc/60/07/17/668600717.db2.gz XREQBZCMNQHHRP-CYBMUJFWSA-N 0 0 314.382 0.561 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@H]2CCC[C@H]21 ZINC000126813041 668664983 /nfs/dbraw/zinc/66/49/83/668664983.db2.gz ZETYXHNSGUBKJE-JHJVBQTASA-N 0 0 300.424 0.554 10 0 DCAERN Cc1ccccc1CCNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126856454 668672132 /nfs/dbraw/zinc/67/21/32/668672132.db2.gz RWNFDNRJCORBPR-CQSZACIVSA-N 0 0 310.419 0.430 10 0 DCAERN CN1C[C@@H](NC(=O)NCC[S@@](=O)C(C)(C)C)CCC1=O ZINC000126903197 668683449 /nfs/dbraw/zinc/68/34/49/668683449.db2.gz IDFIHTRSQDULBV-FVINQWEUSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)[C@@H]1CCCO1 ZINC000128244785 669171674 /nfs/dbraw/zinc/17/16/74/669171674.db2.gz VVZJJCHGRGCDAC-JQWIXIFHSA-N 0 0 304.412 0.773 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1ccc([C@@H](C)O)n1)c1ccccc1 ZINC000128850625 669303870 /nfs/dbraw/zinc/30/38/70/669303870.db2.gz JKGYSFJPZJEEHY-ABAIWWIYSA-N 0 0 316.361 0.540 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)OCCn2cncn2)c1 ZINC000130499176 669623297 /nfs/dbraw/zinc/62/32/97/669623297.db2.gz HBUPNELYCFBUES-UHFFFAOYSA-N 0 0 301.349 0.600 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)/C=C/c2ccccc2)O1 ZINC000131499326 669670547 /nfs/dbraw/zinc/67/05/47/669670547.db2.gz JBPFKIYLNRXFGH-TYDXBBDOSA-N 0 0 310.375 0.610 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 ZINC000040808937 669821995 /nfs/dbraw/zinc/82/19/95/669821995.db2.gz LPJBYZLVFGWBHL-JTQLQIEISA-N 0 0 309.347 0.836 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000159968685 669944787 /nfs/dbraw/zinc/94/47/87/669944787.db2.gz MYMONBNQCLRKTN-UKRRQHHQSA-N 0 0 306.362 0.856 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)Cc1ccc(C)cc1 ZINC000191022212 669964428 /nfs/dbraw/zinc/96/44/28/669964428.db2.gz YPBRHLHVVATOCB-CABCVRRESA-N 0 0 322.430 0.936 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H](C)c2nnnn2C2CC2)n1 ZINC000188031669 669974685 /nfs/dbraw/zinc/97/46/85/669974685.db2.gz UCCPXIRMVDOSGR-VIFPVBQESA-N 0 0 317.353 0.972 10 0 DCAERN CCOc1ccccc1CN1C[C@@H](NC(=O)COC)C[C@H]1CO ZINC000075403541 670007367 /nfs/dbraw/zinc/00/73/67/670007367.db2.gz IRCZSCKKJOCERG-GJZGRUSLSA-N 0 0 322.405 0.783 10 0 DCAERN CCN1CCO[C@@H](C(=O)NNC(=O)NCc2ccccc2)C1 ZINC000189093115 670087432 /nfs/dbraw/zinc/08/74/32/670087432.db2.gz IRIGDTBRIVULQF-CYBMUJFWSA-N 0 0 306.366 0.238 10 0 DCAERN Cc1ccc(OC[C@H](O)CN(C)CCS(C)(=O)=O)cc1 ZINC000076306530 670119409 /nfs/dbraw/zinc/11/94/09/670119409.db2.gz XAWOKWSMGMVBFD-CYBMUJFWSA-N 0 0 301.408 0.711 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)CC(F)(F)C(F)(F)F)C1 ZINC000713285264 670154986 /nfs/dbraw/zinc/15/49/86/670154986.db2.gz LXIDQKSVCNDNMY-QMMMGPOBSA-N 0 0 304.215 0.413 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cn(C)nc1Br ZINC000713822459 670170198 /nfs/dbraw/zinc/17/01/98/670170198.db2.gz QKPKPCJWNUPKFR-IUCAKERBSA-N 0 0 318.171 0.291 10 0 DCAERN CCN1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1=O ZINC000189874455 670172012 /nfs/dbraw/zinc/17/20/12/670172012.db2.gz RJWUSVXXTRQZIA-JOCHJYFZSA-N 0 0 323.418 0.767 10 0 DCAERN Cc1cc(C(=O)NCC2(S(N)(=O)=O)CC2)c(F)cc1F ZINC000713978631 670173412 /nfs/dbraw/zinc/17/34/12/670173412.db2.gz GAFQXLWWDVGKQJ-UHFFFAOYSA-N 0 0 304.318 0.824 10 0 DCAERN C[C@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000079180581 670180764 /nfs/dbraw/zinc/18/07/64/670180764.db2.gz VRTPQUXMCOJOEX-WDEREUQCSA-N 0 0 318.329 0.658 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000714496804 670190441 /nfs/dbraw/zinc/19/04/41/670190441.db2.gz PPYNYRBKVLWCIC-UHFFFAOYSA-N 0 0 305.117 0.748 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCc3ccccc3CC2)cn1 ZINC000079576057 670197180 /nfs/dbraw/zinc/19/71/80/670197180.db2.gz GGXLQXQPSGKCFL-UHFFFAOYSA-N 0 0 304.375 0.848 10 0 DCAERN CC(C)(C)n1nnc(C(=O)N[C@@H]2CCCCC23OCCO3)n1 ZINC000716028010 670227734 /nfs/dbraw/zinc/22/77/34/670227734.db2.gz RSVOXBLJCFHQFH-SNVBAGLBSA-N 0 0 309.370 0.844 10 0 DCAERN Cc1nc(Cl)ccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000193276991 670262280 /nfs/dbraw/zinc/26/22/80/670262280.db2.gz CMJAVJTVYWEFDD-UHFFFAOYSA-N 0 0 322.756 0.780 10 0 DCAERN Cn1ncc(C(=O)NC2CC(C(N)=O)C2)c1Br ZINC000716661746 670268149 /nfs/dbraw/zinc/26/81/49/670268149.db2.gz OYJZBBSBVUYEOH-UHFFFAOYSA-N 0 0 301.144 0.176 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@H](C(F)F)C2)ncn1 ZINC000193580697 670304597 /nfs/dbraw/zinc/30/45/97/670304597.db2.gz MNWQJKYCTOKBBF-QWRGUYRKSA-N 0 0 314.336 0.908 10 0 DCAERN O=C([O-])[C@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000757193295 670358545 /nfs/dbraw/zinc/35/85/45/670358545.db2.gz YMTODXJHONIVQB-KGLIPLIRSA-N 0 0 324.402 0.859 10 0 DCAERN C[C@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)C(=O)N(C)C ZINC000080911698 670392758 /nfs/dbraw/zinc/39/27/58/670392758.db2.gz XUTLOHGKRGUHLA-JTQLQIEISA-N 0 0 312.801 0.760 10 0 DCAERN CCN1CN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1=O ZINC000190647653 670472997 /nfs/dbraw/zinc/47/29/97/670472997.db2.gz DSDZOOONIDMEIC-UHFFFAOYSA-N 0 0 303.771 0.686 10 0 DCAERN C[C@@H](C(=O)Nc1cc(Cl)ccc1C(N)=O)S(C)(=O)=O ZINC000112788919 670654428 /nfs/dbraw/zinc/65/44/28/670654428.db2.gz QITIVMJIJOQWLW-LURJTMIESA-N 0 0 304.755 0.811 10 0 DCAERN CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)c1coc(C)c1 ZINC000818370327 671010131 /nfs/dbraw/zinc/01/01/31/671010131.db2.gz LYPUYRJGUVRMGI-LLVKDONJSA-N 0 0 303.322 0.259 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2cc(Br)cn2)C1 ZINC000116869296 671132200 /nfs/dbraw/zinc/13/22/00/671132200.db2.gz AKGSDMUGWCLWHI-SECBINFHSA-N 0 0 323.216 0.227 10 0 DCAERN CCOCCN1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000111164668 671221223 /nfs/dbraw/zinc/22/12/23/671221223.db2.gz UCADVEVABAPGGA-GJZGRUSLSA-N 0 0 321.421 0.549 10 0 DCAERN CN(CCC(N)=O)C(=O)c1ccc(Br)cc1N ZINC000381888006 1158104274 /nfs/dbraw/zinc/10/42/74/1158104274.db2.gz MWEIJXJACPFMEN-UHFFFAOYSA-N 0 0 300.156 0.979 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N(CCO)CCO ZINC000104027968 671903513 /nfs/dbraw/zinc/90/35/13/671903513.db2.gz JOZPRUJCJXXGJV-YHYXMXQVSA-N 0 0 305.783 0.927 10 0 DCAERN COCC[C@@H](COC)NS(=O)(=O)c1cc(N)ccc1C ZINC000394330345 685266347 /nfs/dbraw/zinc/26/63/47/685266347.db2.gz NSEASTNKUADKPN-LBPRGKRZSA-N 0 0 302.396 0.907 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)C[C@@H](CC)O1 ZINC000398460115 685274179 /nfs/dbraw/zinc/27/41/79/685274179.db2.gz YEUCCUCVMGDTMZ-NXEZZACHSA-N 0 0 300.384 0.467 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)c1 ZINC000719048721 685307829 /nfs/dbraw/zinc/30/78/29/685307829.db2.gz HRJKCWWZVSPVSV-SNVBAGLBSA-N 0 0 301.368 0.287 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000719105960 685308355 /nfs/dbraw/zinc/30/83/55/685308355.db2.gz YXKNXCDLPLGJAP-LLVKDONJSA-N 0 0 323.411 0.063 10 0 DCAERN C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCO1 ZINC000720540375 685313327 /nfs/dbraw/zinc/31/33/27/685313327.db2.gz IZRUKXBXIYKKHI-WPRPVWTQSA-N 0 0 318.420 0.827 10 0 DCAERN CO[C@@]1(CNC(=O)OCC(F)(F)F)CCS(=O)(=O)C1 ZINC000720939700 685317328 /nfs/dbraw/zinc/31/73/28/685317328.db2.gz XATUCOQOXABIDD-MRVPVSSYSA-N 0 0 305.274 0.479 10 0 DCAERN CO[C@@]1(CNC(=O)N2CCCCCC2)CCS(=O)(=O)C1 ZINC000720915082 685317587 /nfs/dbraw/zinc/31/75/87/685317587.db2.gz PBNKEPAQHRCYMY-CYBMUJFWSA-N 0 0 304.412 0.776 10 0 DCAERN CCc1ncnc(NC[C@@]2(OC)CCS(=O)(=O)C2)c1F ZINC000721217942 685318274 /nfs/dbraw/zinc/31/82/74/685318274.db2.gz ADOKQJLWZCNHCH-LBPRGKRZSA-N 0 0 303.359 0.794 10 0 DCAERN Cc1ccc(CNC(=O)C[C@H]2CNCCS2(=O)=O)s1 ZINC000725005472 685319957 /nfs/dbraw/zinc/31/99/57/685319957.db2.gz JIRSDZZDSUHKEB-NSHDSACASA-N 0 0 302.421 0.449 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000053356533 685060878 /nfs/dbraw/zinc/06/08/78/685060878.db2.gz LAPSHYNHNMTJCD-UHFFFAOYSA-N 0 0 319.361 0.245 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)OCC(=O)NC(C)C)cnc12 ZINC000091090790 685103441 /nfs/dbraw/zinc/10/34/41/685103441.db2.gz BFHZSWHWCOHQGG-UHFFFAOYSA-N 0 0 303.318 0.684 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC3(CC2)OCCO3)c1 ZINC000093249183 685110458 /nfs/dbraw/zinc/11/04/58/685110458.db2.gz GXLORDIAIROHRN-UHFFFAOYSA-N 0 0 301.368 0.431 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCO[C@H](c3nccs3)C2)CCO1 ZINC000195521630 685154998 /nfs/dbraw/zinc/15/49/98/685154998.db2.gz LKOQCZCNVDHYPF-RYUDHWBXSA-N 0 0 311.407 0.764 10 0 DCAERN CCOC(=O)CN(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CC1 ZINC000245386103 685156137 /nfs/dbraw/zinc/15/61/37/685156137.db2.gz KBYIAZZUMJRGEF-CHWSQXEVSA-N 0 0 306.362 0.923 10 0 DCAERN NC(=O)CC[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000245400548 685156143 /nfs/dbraw/zinc/15/61/43/685156143.db2.gz YFGNKTKEQJPMBP-BFHYXJOUSA-N 0 0 319.405 0.873 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000245730464 685158873 /nfs/dbraw/zinc/15/88/73/685158873.db2.gz CERJTYQCSGLOGT-OSMZGAPFSA-N 0 0 306.362 0.841 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000246861100 685167702 /nfs/dbraw/zinc/16/77/02/685167702.db2.gz ARYAIMGMWIAKPD-OIAVYIFSSA-N 0 0 317.455 0.877 10 0 DCAERN CC(C)(C)SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000248169758 685174004 /nfs/dbraw/zinc/17/40/04/685174004.db2.gz RAIFCVMBXUTGKA-UHFFFAOYSA-N 0 0 313.467 0.941 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)C1 ZINC000248955722 685177929 /nfs/dbraw/zinc/17/79/29/685177929.db2.gz LOIHRKUKMLWERL-GHMZBOCLSA-N 0 0 307.402 0.853 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)[C@H]1C ZINC000251846946 685185535 /nfs/dbraw/zinc/18/55/35/685185535.db2.gz OQLZBNKTPNSHIW-XQHKEYJVSA-N 0 0 302.440 0.704 10 0 DCAERN C[C@H]1C[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C[C@@H](C)C1 ZINC000251673951 685185805 /nfs/dbraw/zinc/18/58/05/685185805.db2.gz AFKAWXREZAPPKH-LOWDOPEQSA-N 0 0 302.440 0.704 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2C)C[C@@H]1C ZINC000380723494 685237682 /nfs/dbraw/zinc/23/76/82/685237682.db2.gz JRXYHDMIBKZHKN-WCBMZHEXSA-N 0 0 301.368 0.158 10 0 DCAERN C[C@H](O)C1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000380986840 685238718 /nfs/dbraw/zinc/23/87/18/685238718.db2.gz DJLVVUBIXUIFMR-ZETCQYMHSA-N 0 0 317.187 0.811 10 0 DCAERN CC(=O)N(C)CCCNC(=O)c1cccc(-n2cccn2)n1 ZINC000076611366 1157495720 /nfs/dbraw/zinc/49/57/20/1157495720.db2.gz IONWIORHUWQMEP-UHFFFAOYSA-N 0 0 301.350 0.866 10 0 DCAERN Cn1cc(Br)c(CNC(=O)CCn2ccnn2)n1 ZINC000393661792 1157823691 /nfs/dbraw/zinc/82/36/91/1157823691.db2.gz RQQHXWDULGWPAG-UHFFFAOYSA-N 0 0 313.159 0.481 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000040217170 1157993560 /nfs/dbraw/zinc/99/35/60/1157993560.db2.gz DDZKEKQTYRZOHU-UHFFFAOYSA-N 0 0 318.786 0.693 10 0 DCAERN COCCCCN(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000397391436 1158098903 /nfs/dbraw/zinc/09/89/03/1158098903.db2.gz YHARSTCJAALMGI-UHFFFAOYSA-N 0 0 306.409 0.894 10 0 DCAERN CS(=O)(=O)C1CCN(C(=O)c2cnc(Cl)cn2)CC1 ZINC000311598399 1158456869 /nfs/dbraw/zinc/45/68/69/1158456869.db2.gz CBLAPZZVDQICEA-UHFFFAOYSA-N 0 0 303.771 0.779 10 0 DCAERN CC(=O)N[C@H](C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000025442491 1171410455 /nfs/dbraw/zinc/41/04/55/1171410455.db2.gz BLUARSMDMKULFI-SNVBAGLBSA-N 0 0 307.350 0.525 10 0 DCAERN CCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC000036106760 1171432895 /nfs/dbraw/zinc/43/28/95/1171432895.db2.gz GTQIWTWJARWJNT-ZDUSSCGKSA-N 0 0 320.455 0.979 10 0 DCAERN O=C(CNC(=O)c1ccccc1Cl)N1CCNC(=O)CC1 ZINC000059894565 1172012546 /nfs/dbraw/zinc/01/25/46/1172012546.db2.gz WVFANNSCMPSJTK-UHFFFAOYSA-N 0 0 309.753 0.418 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089756446 1175345256 /nfs/dbraw/zinc/34/52/56/1175345256.db2.gz DMAPKFNSCVXLQU-NSHDSACASA-N 0 0 312.347 0.169 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC000089756310 1175345643 /nfs/dbraw/zinc/34/56/43/1175345643.db2.gz GHILEGZMGGSQEX-SECBINFHSA-N 0 0 316.766 0.732 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)c(C)s1 ZINC000090014872 1175370400 /nfs/dbraw/zinc/37/04/00/1175370400.db2.gz SCWGGGUVGAXNMC-MRVPVSSYSA-N 0 0 302.377 0.448 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@@H](O)CO)c1 ZINC000090280768 1175391208 /nfs/dbraw/zinc/39/12/08/1175391208.db2.gz ASIZVDLKOUVRBZ-SSDOTTSWSA-N 0 0 304.140 0.541 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2ccnn2C)C1 ZINC000119625515 1176827410 /nfs/dbraw/zinc/82/74/10/1176827410.db2.gz LOCJTVIFTHGAEZ-GFCCVEGCSA-N 0 0 302.382 0.887 10 0 DCAERN CS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2N)CC1 ZINC000155946934 1180556425 /nfs/dbraw/zinc/55/64/25/1180556425.db2.gz PRRDVJSPDKWOQI-UHFFFAOYSA-N 0 0 315.370 0.562 10 0 DCAERN CCC(CC)C(=O)NCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000169840659 1183610152 /nfs/dbraw/zinc/61/01/52/1183610152.db2.gz JBHBASGIKDRPTF-ZDUSSCGKSA-N 0 0 311.426 0.912 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)Cn1nnc2ccccc21 ZINC000176368620 1184165945 /nfs/dbraw/zinc/16/59/45/1184165945.db2.gz GZTIBBNKWDQMHO-GFCCVEGCSA-N 0 0 306.366 0.581 10 0 DCAERN CC(=O)OC1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000178919380 1185159019 /nfs/dbraw/zinc/15/90/19/1185159019.db2.gz CJJUICLQPHJCMG-UHFFFAOYSA-N 0 0 302.334 0.985 10 0 DCAERN COCCCOCC(=O)NC1(C(=O)NCC2CC2)CCCC1 ZINC000181203960 1185178588 /nfs/dbraw/zinc/17/85/88/1185178588.db2.gz YBUVCBVWSRCBSB-UHFFFAOYSA-N 0 0 312.410 0.995 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)[C@H](C)C1 ZINC000275044790 1187200753 /nfs/dbraw/zinc/20/07/53/1187200753.db2.gz NDXKYBLNECHRET-SECBINFHSA-N 0 0 315.333 0.423 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)CN1C(=O)CNC1=O ZINC000190484239 1187956753 /nfs/dbraw/zinc/95/67/53/1187956753.db2.gz KZHFCKGDXDJGPO-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000193445023 1188036704 /nfs/dbraw/zinc/03/67/04/1188036704.db2.gz UVMRDQJPIVLNBS-LLVKDONJSA-N 0 0 307.737 0.995 10 0 DCAERN CN(CC(C)(C)O)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909501 1190386087 /nfs/dbraw/zinc/38/60/87/1190386087.db2.gz XDOWDYPHVHUNGB-UHFFFAOYSA-N 0 0 300.380 0.515 10 0 DCAERN CC[S@](C)(=O)=NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909136 1190386162 /nfs/dbraw/zinc/38/61/62/1190386162.db2.gz CVFJBAADWAQHOC-SFHVURJKSA-N 0 0 304.393 0.930 10 0 DCAERN O=C(c1cccnc1Br)N1C[C@H](CO)[C@H](O)C1 ZINC000316439173 1190414909 /nfs/dbraw/zinc/41/49/09/1190414909.db2.gz DVTOPXIQRKEBHJ-VXNVDRBHSA-N 0 0 301.140 0.269 10 0 DCAERN CNC(=O)CN(C)C(=O)c1cc(F)c(Br)cc1N ZINC000381024535 1190699274 /nfs/dbraw/zinc/69/92/74/1190699274.db2.gz ZCILCYLDMXPNOK-UHFFFAOYSA-N 0 0 318.146 0.988 10 0 DCAERN CC1(C)OCC[C@@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000381255162 1190699075 /nfs/dbraw/zinc/69/90/75/1190699075.db2.gz VUWZLAUIYQGCSW-VIFPVBQESA-N 0 0 318.420 0.622 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N[C@]1(CO)CCOC1 ZINC000393898592 1190702031 /nfs/dbraw/zinc/70/20/31/1190702031.db2.gz ZPHIDSOIDCYUCM-LBPRGKRZSA-N 0 0 315.167 0.913 10 0 DCAERN COCCN(CCC(=O)OC)C(=O)CCOCC(F)(F)F ZINC000096537174 769685884 /nfs/dbraw/zinc/68/58/84/769685884.db2.gz NVYGPFHKQBLTTP-UHFFFAOYSA-N 0 0 315.288 0.994 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cnc(N)nc2)[C@@H](CC)CO1 ZINC000403800499 774114868 /nfs/dbraw/zinc/11/48/68/774114868.db2.gz FWUSGAOSXMLPBO-UWVGGRQHSA-N 0 0 300.384 0.467 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCN(c2cccnn2)CC1 ZINC000195048873 774947028 /nfs/dbraw/zinc/94/70/28/774947028.db2.gz XQCKNBXZNJDSHX-UHFFFAOYSA-N 0 0 323.360 0.570 10 0 DCAERN Cc1ncc2c(=O)n(Cc3ccc(F)cc3)c(=O)n(C)c2n1 ZINC000065057436 282168584 /nfs/dbraw/zinc/16/85/84/282168584.db2.gz STVKBNXCFLSNAK-UHFFFAOYSA-N 0 0 300.293 0.986 10 0 DCAERN CCc1cnccc1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328641668 529670146 /nfs/dbraw/zinc/67/01/46/529670146.db2.gz QRWZQTHEZIJBBU-CYBMUJFWSA-N 0 0 320.393 0.952 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092837125 185345248 /nfs/dbraw/zinc/34/52/48/185345248.db2.gz WGEUEBIZZMWTDZ-WDEREUQCSA-N 0 0 319.365 0.709 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000181379505 199287862 /nfs/dbraw/zinc/28/78/62/199287862.db2.gz XMAQEAWRXUFYTJ-LLVKDONJSA-N 0 0 316.427 0.611 10 0 DCAERN CCc1nnc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[nH]1 ZINC000328621197 529740365 /nfs/dbraw/zinc/74/03/65/529740365.db2.gz HNWDAWQFJKWTQD-ABAIWWIYSA-N 0 0 317.397 0.471 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015616 185397132 /nfs/dbraw/zinc/39/71/32/185397132.db2.gz DDYLEHRESVLSOR-YPMHNXCESA-N 0 0 300.380 0.899 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C/C=C/c2ccccc2)CCO1 ZINC000275799487 529852026 /nfs/dbraw/zinc/85/20/26/529852026.db2.gz SSJBFFYXIHRKCQ-CDVVCGDMSA-N 0 0 303.406 0.818 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C(C)C ZINC000178863631 529898227 /nfs/dbraw/zinc/89/82/27/529898227.db2.gz RVYXQZAHXRERRJ-ZDUSSCGKSA-N 0 0 305.378 0.889 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](C)N1CCCCC1=O ZINC000189324821 529899002 /nfs/dbraw/zinc/89/90/02/529899002.db2.gz SUCYLFBVWPXHMO-OLZOCXBDSA-N 0 0 309.410 0.905 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000179082793 529895825 /nfs/dbraw/zinc/89/58/25/529895825.db2.gz DSECWCRMLSPVMN-NSHDSACASA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)N(C)CCCn1ccnc1C)C(C)C ZINC000179091484 529918977 /nfs/dbraw/zinc/91/89/77/529918977.db2.gz UILAEXOGTZJORP-CYBMUJFWSA-N 0 0 309.414 0.994 10 0 DCAERN CNC(=O)[C@H]1CCCCN1C(=O)C[C@H](C)N1CCCCC1=O ZINC000189324755 529921088 /nfs/dbraw/zinc/92/10/88/529921088.db2.gz SUCYLFBVWPXHMO-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN CNC(=O)c1ccc(NC[C@@H](CO)Cc2ccccn2)nn1 ZINC000301576683 529942537 /nfs/dbraw/zinc/94/25/37/529942537.db2.gz SVWUYRFWDYMECP-NSHDSACASA-N 0 0 301.350 0.494 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cn12 ZINC000284320287 282347536 /nfs/dbraw/zinc/34/75/36/282347536.db2.gz BCSVDKMYWVDIGY-KGLIPLIRSA-N 0 0 315.377 0.583 10 0 DCAERN Cc1ccccc1SCC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000330722528 232019302 /nfs/dbraw/zinc/01/93/02/232019302.db2.gz HQDFNGUQSRKWDZ-LLVKDONJSA-N 0 0 314.432 0.977 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109088110 185550646 /nfs/dbraw/zinc/55/06/46/185550646.db2.gz AOUJISYFRAMVMH-RKDXNWHRSA-N 0 0 304.318 0.473 10 0 DCAERN C[C@@H](C(=O)N1CCN2CCOC[C@@H]2C1)n1nnnc1C(C)(C)C ZINC000371864663 295736325 /nfs/dbraw/zinc/73/63/25/295736325.db2.gz NCNIQDGZHCFGKG-RYUDHWBXSA-N 0 0 322.413 0.075 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C)C1CCOCC1 ZINC000407996211 290766846 /nfs/dbraw/zinc/76/68/46/290766846.db2.gz CPGKGSGAGXJBFE-DGCLKSJQSA-N 0 0 318.439 0.589 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000181817028 199357126 /nfs/dbraw/zinc/35/71/26/199357126.db2.gz LLMMVGCRWOUFGV-MBNYWOFBSA-N 0 0 320.393 0.893 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC(=O)N1C ZINC000286861749 219199376 /nfs/dbraw/zinc/19/93/76/219199376.db2.gz WGJNLTNPONOCRN-DMDPSCGWSA-N 0 0 306.366 0.187 10 0 DCAERN O=C(CNC(=O)Cc1ccc(O)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000272615771 210015912 /nfs/dbraw/zinc/01/59/12/210015912.db2.gz PFHQDEHAOIHDTN-ZFWWWQNUSA-N 0 0 320.389 0.718 10 0 DCAERN NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)o1 ZINC000070141766 190862344 /nfs/dbraw/zinc/86/23/44/190862344.db2.gz STGDDPDDYKYNHG-NTSWFWBYSA-N 0 0 303.112 0.103 10 0 DCAERN O=S(=O)(c1cccnc1N1CCC(O)CC1)N1CCCC1 ZINC000070458378 190897305 /nfs/dbraw/zinc/89/73/05/190897305.db2.gz OMQBWFASEXFOMH-UHFFFAOYSA-N 0 0 311.407 0.827 10 0 DCAERN Cn1ccnc1[C@@H]1CN(CC(=O)NC[C@H]2CCCO2)CCN1C ZINC000279885522 215206596 /nfs/dbraw/zinc/20/65/96/215206596.db2.gz CRQVJMMEGCTOPR-KGLIPLIRSA-N 0 0 321.425 0.004 10 0 DCAERN COc1cccc(N2CC[C@@H](CNC(=O)[C@@H](C)NC(N)=O)C2)c1 ZINC000171019143 197866554 /nfs/dbraw/zinc/86/65/54/197866554.db2.gz LKYSWPGGUGUUPV-NEPJUHHUSA-N 0 0 320.393 0.695 10 0 DCAERN O=C(CCc1ccccc1O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000171033039 197868702 /nfs/dbraw/zinc/86/87/02/197868702.db2.gz LJBNDRLDVLTNLX-LBPRGKRZSA-N 0 0 302.330 0.731 10 0 DCAERN COCCCOCC(=O)NCc1cccnc1-n1ccnc1 ZINC000179731192 186211792 /nfs/dbraw/zinc/21/17/92/186211792.db2.gz IFQCYDXLUVCQKH-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000171705823 197970090 /nfs/dbraw/zinc/97/00/90/197970090.db2.gz OIPHHNYKICUUCF-NSHDSACASA-N 0 0 313.361 0.971 10 0 DCAERN COCCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000171896305 198002987 /nfs/dbraw/zinc/00/29/87/198002987.db2.gz GUDIODIPCOYASQ-CQSZACIVSA-N 0 0 310.398 0.947 10 0 DCAERN CN(CCCS(N)(=O)=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000171946950 198013250 /nfs/dbraw/zinc/01/32/50/198013250.db2.gz XLOXGBHHDZTJME-CYBMUJFWSA-N 0 0 311.407 0.402 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000172026896 198028841 /nfs/dbraw/zinc/02/88/41/198028841.db2.gz GCJMRYFFKPBGMJ-CYBMUJFWSA-N 0 0 313.361 0.682 10 0 DCAERN COc1ccc(-c2noc(CCN3CCCS3(=O)=O)n2)cn1 ZINC000172052956 198031072 /nfs/dbraw/zinc/03/10/72/198031072.db2.gz SEHTWVADRMPEGE-UHFFFAOYSA-N 0 0 324.362 0.718 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)cn1 ZINC000172121499 198042179 /nfs/dbraw/zinc/04/21/79/198042179.db2.gz VTFIZJGUIWLZTQ-TZMCWYRMSA-N 0 0 307.398 0.250 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000172237592 198062837 /nfs/dbraw/zinc/06/28/37/198062837.db2.gz HXCQVTFCAHLUPK-SECBINFHSA-N 0 0 304.306 0.562 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@H]2COc3ccccc3C2)CCC1=O ZINC000172391110 198089328 /nfs/dbraw/zinc/08/93/28/198089328.db2.gz OEGGGBCAUYVIAW-QWHCGFSZSA-N 0 0 303.362 0.910 10 0 DCAERN CN1C[C@H](NC(=O)NCCNC(=O)c2ccccc2)CCC1=O ZINC000172347083 198083885 /nfs/dbraw/zinc/08/38/85/198083885.db2.gz VHZCMAQZOJFXDT-CYBMUJFWSA-N 0 0 318.377 0.336 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N(C[C@@H]1CCOC1)C1CC1 ZINC000172525958 198110387 /nfs/dbraw/zinc/11/03/87/198110387.db2.gz BXZXOQDRLLLJOI-LBPRGKRZSA-N 0 0 303.362 0.839 10 0 DCAERN Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 ZINC000000267651 282796179 /nfs/dbraw/zinc/79/61/79/282796179.db2.gz UCEGDYDPOSBUTP-UHFFFAOYSA-N 0 0 303.709 0.694 10 0 aggregator DCAERN CCCNC(=O)CN(C)C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000173399420 198210609 /nfs/dbraw/zinc/21/06/09/198210609.db2.gz MVBHELLNNWXDEP-AWEZNQCLSA-N 0 0 321.425 0.921 10 0 DCAERN CCN(C)S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173510291 198222537 /nfs/dbraw/zinc/22/25/37/198222537.db2.gz ISNRHAKMIQZAAL-GFCCVEGCSA-N 0 0 313.427 0.574 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cccnc3OC)CCO2)[nH]1 ZINC000173562235 198226954 /nfs/dbraw/zinc/22/69/54/198226954.db2.gz GJMCOQBDDLMRQO-LLVKDONJSA-N 0 0 317.349 0.984 10 0 DCAERN CNC(=O)c1ccc(N[C@H]2CCCN(c3ncccn3)C2)nn1 ZINC000173913777 198267951 /nfs/dbraw/zinc/26/79/51/198267951.db2.gz NCAUSRBNRVEHLQ-NSHDSACASA-N 0 0 313.365 0.707 10 0 DCAERN CC1CCC(O)(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000087076875 545708294 /nfs/dbraw/zinc/70/82/94/545708294.db2.gz UGTITDLOTQMXBR-CEUNDQEZSA-N 0 0 320.455 0.871 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccon3)C2=O)n(C)n1 ZINC000174976703 198410151 /nfs/dbraw/zinc/41/01/51/198410151.db2.gz DIBBZSKHEGKAJB-NSHDSACASA-N 0 0 303.322 0.642 10 0 DCAERN CC(C)C[C@@H]1COCCN1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000073166879 191287920 /nfs/dbraw/zinc/28/79/20/191287920.db2.gz REPDCJHNSKRTGL-UONOGXRCSA-N 0 0 311.426 0.457 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C(=O)CO)CC2)c(C)s1 ZINC000182429506 199437875 /nfs/dbraw/zinc/43/78/75/199437875.db2.gz CCDQUAJPVVDCKF-UHFFFAOYSA-N 0 0 318.420 0.190 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000247242623 283022008 /nfs/dbraw/zinc/02/20/08/283022008.db2.gz XZSQLUQHTPRZSM-STQMWFEESA-N 0 0 324.402 0.352 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@@H]21 ZINC000329167786 283026272 /nfs/dbraw/zinc/02/62/72/283026272.db2.gz ILPCHMWZONKTLV-QWRGUYRKSA-N 0 0 324.381 0.089 10 0 DCAERN CCCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000302001509 283035894 /nfs/dbraw/zinc/03/58/94/283035894.db2.gz QSQYRWODSFCXLG-QWHCGFSZSA-N 0 0 316.423 0.423 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)N[C@@H](C)C(C)C)cn1 ZINC000080159922 192008761 /nfs/dbraw/zinc/00/87/61/192008761.db2.gz ZGSYHLNRUBFESH-NSHDSACASA-N 0 0 311.386 0.812 10 0 DCAERN COC(=O)CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000122250244 291090722 /nfs/dbraw/zinc/09/07/22/291090722.db2.gz GLIGEKGVJGCJAP-BXUZGUMPSA-N 0 0 308.309 0.634 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CCOC(C)C ZINC000081073861 192222852 /nfs/dbraw/zinc/22/28/52/192222852.db2.gz PSFSCUSQTZWXGQ-LLVKDONJSA-N 0 0 302.400 0.766 10 0 DCAERN O=C(c1ccccc1N[C@@H]1CCNC1=O)N1CCC[C@@H](O)C1 ZINC000179042249 198972880 /nfs/dbraw/zinc/97/28/80/198972880.db2.gz KHBFSDQONQRENG-BXUZGUMPSA-N 0 0 303.362 0.584 10 0 DCAERN CCC(CC)(CO)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179461382 199038785 /nfs/dbraw/zinc/03/87/85/199038785.db2.gz WICCJZKDMHRDST-UHFFFAOYSA-N 0 0 311.386 0.549 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H](OC)C(C)(C)C)cn1 ZINC000179458298 199039024 /nfs/dbraw/zinc/03/90/24/199039024.db2.gz LQQJMRSQPRAGCH-NSHDSACASA-N 0 0 311.386 0.812 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000179406010 199030406 /nfs/dbraw/zinc/03/04/06/199030406.db2.gz WDRAFQAWWACNHK-KBPBESRZSA-N 0 0 307.394 0.764 10 0 DCAERN CCS(=O)(=O)NCC(=O)Nc1cncc(Br)c1 ZINC000179576873 199057492 /nfs/dbraw/zinc/05/74/92/199057492.db2.gz ZBJKIXGURZZRCH-UHFFFAOYSA-N 0 0 322.184 0.722 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)cn2)ncn1 ZINC000179612583 199063819 /nfs/dbraw/zinc/06/38/19/199063819.db2.gz YEFNDXBVXOSWQH-LLVKDONJSA-N 0 0 315.381 0.651 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000180485401 199165577 /nfs/dbraw/zinc/16/55/77/199165577.db2.gz PONMXOYXKYPFMB-FZMZJTMJSA-N 0 0 305.378 0.888 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180602115 199183413 /nfs/dbraw/zinc/18/34/13/199183413.db2.gz PSAJBZOXVNKEQP-VHSXEESVSA-N 0 0 317.349 0.543 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCS(=O)(=O)CC(C)C)C(C)C ZINC000178691936 283384474 /nfs/dbraw/zinc/38/44/74/283384474.db2.gz ZJKKNRGVYJQKGE-LBPRGKRZSA-N 0 0 306.428 0.334 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154589675 237032389 /nfs/dbraw/zinc/03/23/89/237032389.db2.gz FKBCKPVNVUPPAL-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN Cn1cnnc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000156978929 237053054 /nfs/dbraw/zinc/05/30/54/237053054.db2.gz MHBBYIZQWMKXPL-UHFFFAOYSA-N 0 0 314.393 0.571 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000174558558 237171133 /nfs/dbraw/zinc/17/11/33/237171133.db2.gz MYLHTSOCCCJHLR-UHFFFAOYSA-N 0 0 324.425 0.651 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC[C@H]3CCC[C@H]31)c2=O ZINC000174285525 237173464 /nfs/dbraw/zinc/17/34/64/237173464.db2.gz NTJYFSHOZZPYLU-DGCLKSJQSA-N 0 0 315.377 0.921 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccccc2N)C[C@@]2(CCOC2)O1 ZINC000281005349 216016285 /nfs/dbraw/zinc/01/62/85/216016285.db2.gz OIZQGOLXIIAHGP-SMDDNHRTSA-N 0 0 312.391 0.837 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)c1C ZINC000179199118 237249296 /nfs/dbraw/zinc/24/92/96/237249296.db2.gz DWBNJDRCXDCAHY-NSHDSACASA-N 0 0 323.397 0.345 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 ZINC000179769282 237251921 /nfs/dbraw/zinc/25/19/21/237251921.db2.gz FXRQXPHVXDZSHF-SNVBAGLBSA-N 0 0 323.315 0.829 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1C ZINC000187291556 200089153 /nfs/dbraw/zinc/08/91/53/200089153.db2.gz FHILUUTVMRPBLZ-JTQLQIEISA-N 0 0 307.394 0.973 10 0 DCAERN Cc1nc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nc1C ZINC000185088081 237294397 /nfs/dbraw/zinc/29/43/97/237294397.db2.gz GIJJXZUBYQBALS-LLVKDONJSA-N 0 0 312.395 0.166 10 0 DCAERN O=C(N[C@@H](CO)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000187460372 237351817 /nfs/dbraw/zinc/35/18/17/237351817.db2.gz FAROCTHHNKUHOR-AWEZNQCLSA-N 0 0 310.313 0.782 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCCc3ccccc32)CCN1CCO ZINC000187695768 237355347 /nfs/dbraw/zinc/35/53/47/237355347.db2.gz NIKSQZCWVOZPEZ-OAHLLOKOSA-N 0 0 317.433 0.964 10 0 DCAERN COc1ccc(NC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187735734 237357269 /nfs/dbraw/zinc/35/72/69/237357269.db2.gz AQRDBBXXGVOUGV-ZDUSSCGKSA-N 0 0 307.394 0.632 10 0 DCAERN CC[C@@H](NC(=O)NCCS(=O)(=O)NC)c1nccs1 ZINC000187839011 200164583 /nfs/dbraw/zinc/16/45/83/200164583.db2.gz BYOYYAKGSBLLAT-MRVPVSSYSA-N 0 0 306.413 0.443 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000188884849 237381152 /nfs/dbraw/zinc/38/11/52/237381152.db2.gz MMVKIULKGICPPD-LLVKDONJSA-N 0 0 315.373 0.946 10 0 DCAERN COC[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H](C)O1 ZINC000188191399 200206785 /nfs/dbraw/zinc/20/67/85/200206785.db2.gz OBHVICTWWDNWNC-ZYHUDNBSSA-N 0 0 304.350 0.844 10 0 DCAERN CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192592249 237468475 /nfs/dbraw/zinc/46/84/75/237468475.db2.gz DVBWUQCICIZLBJ-UHFFFAOYSA-N 0 0 302.334 0.701 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cn2ccnc2s1 ZINC000188472403 200253097 /nfs/dbraw/zinc/25/30/97/200253097.db2.gz SEMGZOYANHSAJE-QMMMGPOBSA-N 0 0 310.404 0.999 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188734023 200297542 /nfs/dbraw/zinc/29/75/42/200297542.db2.gz DSMFFHWIUDEFSB-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000154316735 291212620 /nfs/dbraw/zinc/21/26/20/291212620.db2.gz CRLQHVCYUZWVEK-ZDUSSCGKSA-N 0 0 303.318 0.444 10 0 DCAERN COCC(=O)N1CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000154433790 291213771 /nfs/dbraw/zinc/21/37/71/291213771.db2.gz VIUWIXAVBUNRFV-UHFFFAOYSA-N 0 0 312.391 0.825 10 0 DCAERN CSC[C@@H](CCO)NC(=O)CNC(=O)c1ccccc1C ZINC000156713681 291225940 /nfs/dbraw/zinc/22/59/40/291225940.db2.gz QOHDAHRDXLBNPV-GFCCVEGCSA-N 0 0 310.419 0.955 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cnn(C)c1 ZINC000157100499 291227422 /nfs/dbraw/zinc/22/74/22/291227422.db2.gz VFOQIQJPLPDCQW-LLVKDONJSA-N 0 0 311.345 0.949 10 0 DCAERN Cn1cnnc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000157139330 291227453 /nfs/dbraw/zinc/22/74/53/291227453.db2.gz YELCZHDPJFVCLT-NSHDSACASA-N 0 0 315.333 0.764 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCCCC2)CCS1(=O)=O ZINC000159199682 291234216 /nfs/dbraw/zinc/23/42/16/291234216.db2.gz GPDKQMZZRDAYKO-LLVKDONJSA-N 0 0 310.441 0.226 10 0 DCAERN O=S(=O)(Cc1ncc(Cl)cc1Cl)C[C@@H](O)CO ZINC000163485294 291246548 /nfs/dbraw/zinc/24/65/48/291246548.db2.gz GRGFCWDNMRBUKD-ZETCQYMHSA-N 0 0 300.163 0.656 10 0 DCAERN Cn1cc(CC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cn1 ZINC000276553010 238323287 /nfs/dbraw/zinc/32/32/87/238323287.db2.gz SEHYVVWHCAGTLK-HNNXBMFYSA-N 0 0 306.410 0.532 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163679329 291247110 /nfs/dbraw/zinc/24/71/10/291247110.db2.gz GCOKEVIJXMNSOO-PHIMTYICSA-N 0 0 305.382 0.986 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cc1C(N)=O ZINC000299910293 291251366 /nfs/dbraw/zinc/25/13/66/291251366.db2.gz ZGMWMSGLFCJGGJ-GXFFZTMASA-N 0 0 312.391 0.485 10 0 DCAERN Cn1cc([C@@H]2CN(S(=O)(=O)CCC3CC3)C[C@H]2CO)cn1 ZINC000328638450 291259438 /nfs/dbraw/zinc/25/94/38/291259438.db2.gz WKCBAUDVIYNQET-KBPBESRZSA-N 0 0 313.423 0.558 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)[C@H]1COc3ccccc31)C2 ZINC000328614242 291259577 /nfs/dbraw/zinc/25/95/77/291259577.db2.gz ACRFBSPDMRDMGM-ZDUSSCGKSA-N 0 0 311.341 0.841 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC000183829135 283844505 /nfs/dbraw/zinc/84/45/05/283844505.db2.gz VZQHFUXUYHIIDW-INIZCTEOSA-N 0 0 322.336 0.573 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCN(C2CC2)CC1 ZINC000091168961 193010083 /nfs/dbraw/zinc/01/00/83/193010083.db2.gz SLAUGOQOWFRRNQ-UHFFFAOYSA-N 0 0 321.425 0.981 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC(CO)C1 ZINC000091487459 193063122 /nfs/dbraw/zinc/06/31/22/193063122.db2.gz CERHVGQIYOTHNS-UHFFFAOYSA-N 0 0 303.336 0.296 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCCF)CC12COC2 ZINC000451617453 240665802 /nfs/dbraw/zinc/66/58/02/240665802.db2.gz BAUPFJZKTGQJHE-JTQLQIEISA-N 0 0 309.359 0.187 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](C)COC)CC12COC2 ZINC000454461684 240784201 /nfs/dbraw/zinc/78/42/01/240784201.db2.gz SEEHVXKXPZSWHW-RYUDHWBXSA-N 0 0 314.382 0.490 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC[C@H](C)OC)CC12COC2 ZINC000454464781 240787099 /nfs/dbraw/zinc/78/70/99/240787099.db2.gz FZFGUOYTBRKAFE-RYUDHWBXSA-N 0 0 314.382 0.633 10 0 DCAERN COc1ccccc1C[C@@H](C)CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091780566 193106930 /nfs/dbraw/zinc/10/69/30/193106930.db2.gz PNWKOXSJJUZDHC-TZMCWYRMSA-N 0 0 320.389 0.977 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1occc1Br ZINC000091785194 193107654 /nfs/dbraw/zinc/10/76/54/193107654.db2.gz ZFWBMUFENLEUPU-SSDOTTSWSA-N 0 0 303.112 0.368 10 0 DCAERN Cc1cc2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784078 193107940 /nfs/dbraw/zinc/10/79/40/193107940.db2.gz PNUHHMKQXBNSBH-CQSZACIVSA-N 0 0 301.346 0.662 10 0 DCAERN C[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C(=O)N(C)C ZINC000178855042 296083762 /nfs/dbraw/zinc/08/37/62/296083762.db2.gz KFICXCISWKMEPB-SSDOTTSWSA-N 0 0 321.303 0.715 10 0 DCAERN Cc1ccc(C[C@H](CO)NC(=O)CN2CCOCC2=O)cc1C ZINC000457241873 240985378 /nfs/dbraw/zinc/98/53/78/240985378.db2.gz FDPCYZWYGRNLQP-OAHLLOKOSA-N 0 0 320.389 0.182 10 0 DCAERN C[C@@H](CCc1ccccc1)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457422560 241003237 /nfs/dbraw/zinc/00/32/37/241003237.db2.gz ZNDBRCNDGMJDQN-ZFWWWQNUSA-N 0 0 317.393 0.960 10 0 DCAERN C[C@H](CCO)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000493769613 241152531 /nfs/dbraw/zinc/15/25/31/241152531.db2.gz SJVHEBPVQHMAOW-LLVKDONJSA-N 0 0 306.366 0.507 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)CSC ZINC000495210818 241212333 /nfs/dbraw/zinc/21/23/33/241212333.db2.gz DXNPPZUANANDOF-AEJSXWLSSA-N 0 0 319.427 0.493 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CC(=O)N[C@H](C)C1)CC2 ZINC000408202112 283977630 /nfs/dbraw/zinc/97/76/30/283977630.db2.gz HOLXAHZGQBZGEC-UTUOFQBUSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1sc(NC(=O)CN2CCOC[C@H]2C(N)=O)c(C)c1C ZINC000092230424 193177712 /nfs/dbraw/zinc/17/77/12/193177712.db2.gz SHQAOOWULRJSHD-NSHDSACASA-N 0 0 311.407 0.798 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1COc2ccccc2C1 ZINC000282132424 216766510 /nfs/dbraw/zinc/76/65/10/216766510.db2.gz HEABIYBVXIDFBK-CYZMBNFOSA-N 0 0 303.362 0.956 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Br)cn1 ZINC000089754875 284167263 /nfs/dbraw/zinc/16/72/63/284167263.db2.gz YKZRGJZOEMDXQJ-QMMMGPOBSA-N 0 0 312.123 0.379 10 0 DCAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630301 296152321 /nfs/dbraw/zinc/15/23/21/296152321.db2.gz DBKVIQLYUDJZBC-VHSXEESVSA-N 0 0 320.397 0.642 10 0 DCAERN C[C@H]1CN(c2nnc(CNC(=O)c3ccco3)n2C)C[C@H](C)O1 ZINC000282402909 216968805 /nfs/dbraw/zinc/96/88/05/216968805.db2.gz HUGLXBTXXSTERH-QWRGUYRKSA-N 0 0 319.365 0.952 10 0 DCAERN CCN(C(=O)CSc1nnc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000008245613 181539428 /nfs/dbraw/zinc/53/94/28/181539428.db2.gz FQALODNZNJPTFT-VIFPVBQESA-N 0 0 319.408 0.506 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2ncnc3cccc(F)c32)C1 ZINC000265307974 204521563 /nfs/dbraw/zinc/52/15/63/204521563.db2.gz DIMBUUSGTNASDY-VIFPVBQESA-N 0 0 310.354 0.897 10 0 DCAERN CC(=O)CCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000571763137 291531353 /nfs/dbraw/zinc/53/13/53/291531353.db2.gz ANMGJWDHHNDOGW-NSHDSACASA-N 0 0 311.359 0.707 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000191146300 284300083 /nfs/dbraw/zinc/30/00/83/284300083.db2.gz PKNQFBQEPBCZSS-WDEREUQCSA-N 0 0 322.413 0.841 10 0 DCAERN C[C@H]1CN(C(=O)CN2c3ccccc3OCC2=O)CC(=O)N1C ZINC000282513834 217053718 /nfs/dbraw/zinc/05/37/18/217053718.db2.gz YHFPIHYWISYXLN-NSHDSACASA-N 0 0 317.345 0.101 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1C ZINC000282532617 217068165 /nfs/dbraw/zinc/06/81/65/217068165.db2.gz YYPPYUUCEPWIDE-BLLLJJGKSA-N 0 0 319.409 0.152 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@@H]21 ZINC000288306435 220074542 /nfs/dbraw/zinc/07/45/42/220074542.db2.gz XILWQZXTNHNLBL-QWHCGFSZSA-N 0 0 317.393 0.481 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3N)C[C@H]21 ZINC000288306428 220074569 /nfs/dbraw/zinc/07/45/69/220074569.db2.gz XILWQZXTNHNLBL-CHWSQXEVSA-N 0 0 317.393 0.481 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC(=O)N1C ZINC000282797763 217258355 /nfs/dbraw/zinc/25/83/55/217258355.db2.gz RQGQETLKDQOGDE-JTQLQIEISA-N 0 0 319.365 0.478 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274670421 211815151 /nfs/dbraw/zinc/81/51/51/211815151.db2.gz JHJXLYLJAGAXPE-LBPRGKRZSA-N 0 0 317.393 0.457 10 0 DCAERN CC[C@@H](C)NC(=O)Cn1cnc2sc(C(N)=O)c(C)c2c1=O ZINC000019989972 182174376 /nfs/dbraw/zinc/17/43/76/182174376.db2.gz KLUDVWIQNGNZCZ-SSDOTTSWSA-N 0 0 322.390 0.780 10 0 DCAERN CC1=NCCN1C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000020173698 182194663 /nfs/dbraw/zinc/19/46/63/182194663.db2.gz BRFRZDYYYPAIEZ-UHFFFAOYSA-N 0 0 321.358 0.627 10 0 DCAERN CCOC(=O)[C@@](NC(C)=O)(N1CCN(C)CC1)C(F)(F)F ZINC000020609023 182238585 /nfs/dbraw/zinc/23/85/85/182238585.db2.gz IVDSPKMDIHSRFO-LLVKDONJSA-N 0 0 311.304 0.192 10 0 DCAERN O=C(CSCCc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O ZINC000021027109 182262255 /nfs/dbraw/zinc/26/22/55/182262255.db2.gz FUGIAZSTLPXYFN-UHFFFAOYSA-N 0 0 305.359 0.978 10 0 DCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000021802824 182290371 /nfs/dbraw/zinc/29/03/71/182290371.db2.gz XGKNCOBNVQQQRB-SNVBAGLBSA-N 0 0 303.771 0.561 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000274520384 211686374 /nfs/dbraw/zinc/68/63/74/211686374.db2.gz SDBBKZXODYQFNC-QWHCGFSZSA-N 0 0 305.382 0.700 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000176803881 284527063 /nfs/dbraw/zinc/52/70/63/284527063.db2.gz VBKKTJOEOKTXCU-NEPJUHHUSA-N 0 0 318.439 0.527 10 0 DCAERN Cc1c(N[C@@H]2CCS(=O)(=O)C2)cccc1S(N)(=O)=O ZINC000037789565 182925659 /nfs/dbraw/zinc/92/56/59/182925659.db2.gz JRJCVTGLSVJVIK-SECBINFHSA-N 0 0 304.393 0.241 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@H]1C ZINC000261618224 284619986 /nfs/dbraw/zinc/61/99/86/284619986.db2.gz BLJQPDDGPAFQAI-HTQZYQBOSA-N 0 0 319.408 0.206 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@H](O)CO)O[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000038599699 183003507 /nfs/dbraw/zinc/00/35/07/183003507.db2.gz NKCNUNUEQRYLNZ-RYPNDVFKSA-N 0 0 310.346 0.801 10 0 in-vitro DCAERN C[C@@H](NC(=O)C(=O)NCCCN1CCCC1=O)c1ccccc1 ZINC000038717544 183007028 /nfs/dbraw/zinc/00/70/28/183007028.db2.gz VJFOONTVZVLHCN-CYBMUJFWSA-N 0 0 317.389 0.993 10 0 DCAERN C[C@H](C(=O)Nc1nc2c(s1)CN(C)CC2)N1CCOCC1 ZINC000041573180 183206159 /nfs/dbraw/zinc/20/61/59/183206159.db2.gz BIYOCKPGPKDNNO-SNVBAGLBSA-N 0 0 310.423 0.790 10 0 DCAERN Cc1ccc(CN(C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)o1 ZINC000044760796 183437703 /nfs/dbraw/zinc/43/77/03/183437703.db2.gz XMIAACWOFZUYRS-UHFFFAOYSA-N 0 0 311.363 0.846 10 0 DCAERN O=C(c1ccnc(N2CCCC2)n1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329728805 284726185 /nfs/dbraw/zinc/72/61/85/284726185.db2.gz FQSLWRRHXAQDNL-SGMGOOAPSA-N 0 0 302.378 0.920 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104797569 194041694 /nfs/dbraw/zinc/04/16/94/194041694.db2.gz NJHQWKBIRDKFEP-HUUCEWRRSA-N 0 0 307.394 0.658 10 0 DCAERN CCN1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)CC1=O ZINC000046186894 183556759 /nfs/dbraw/zinc/55/67/59/183556759.db2.gz KDPQROWPSUPVSZ-LBPRGKRZSA-N 0 0 318.377 0.725 10 0 DCAERN O=C(NCc1cc[nH]n1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000574774674 291715210 /nfs/dbraw/zinc/71/52/10/291715210.db2.gz SJSVOTBCQASFPO-AAEUAGOBSA-N 0 0 308.382 0.777 10 0 DCAERN COCCN1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000105833341 194141445 /nfs/dbraw/zinc/14/14/45/194141445.db2.gz HLTRUIACVTWTLV-ZDUSSCGKSA-N 0 0 309.454 0.944 10 0 DCAERN C[C@@H](NC[C@H]1CN(C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932405 194172670 /nfs/dbraw/zinc/17/26/70/194172670.db2.gz QMRGDOUKUPOJJG-OCCSQVGLSA-N 0 0 302.382 0.644 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CCCc2nc(C)no2)CC1 ZINC000106397461 194206517 /nfs/dbraw/zinc/20/65/17/194206517.db2.gz DXGKCKNTPVLYKS-CYBMUJFWSA-N 0 0 310.398 0.616 10 0 DCAERN Nc1ccnc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000050695188 183800552 /nfs/dbraw/zinc/80/05/52/183800552.db2.gz HYZLQMRCJCPKBM-UHFFFAOYSA-N 0 0 306.347 0.241 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)CCn2cccn2)cc1 ZINC000109968460 194301603 /nfs/dbraw/zinc/30/16/03/194301603.db2.gz ABLRSCBRLXIING-UHFFFAOYSA-N 0 0 316.361 0.780 10 0 DCAERN CN1N=C(C(=O)N2CCO[C@H](c3nccs3)C2)CCC1=O ZINC000110886133 194366735 /nfs/dbraw/zinc/36/67/35/194366735.db2.gz OOGJFVCPDXOQCN-JTQLQIEISA-N 0 0 308.363 0.651 10 0 DCAERN CN(C(=O)CCn1cncn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000110889025 194367117 /nfs/dbraw/zinc/36/71/17/194367117.db2.gz OCNIGIXOIPFBSD-AWEZNQCLSA-N 0 0 313.361 0.932 10 0 DCAERN CC[C@@H](CC(N)=S)NS(=O)(=O)CCc1ccccn1 ZINC000054162893 183927472 /nfs/dbraw/zinc/92/74/72/183927472.db2.gz DZYLPVOLNFVXPB-JTQLQIEISA-N 0 0 301.437 0.998 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC000111000152 194380396 /nfs/dbraw/zinc/38/03/96/194380396.db2.gz SZYNUSPKVIUJMH-NSHDSACASA-N 0 0 309.370 0.794 10 0 DCAERN Cn1nccc1CNC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000056657812 184017146 /nfs/dbraw/zinc/01/71/46/184017146.db2.gz MMLYEONLOFCYSB-ZDUSSCGKSA-N 0 0 322.340 0.798 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(Cc1cccc(F)c1)C1CC1 ZINC000056749336 184018878 /nfs/dbraw/zinc/01/88/78/184018878.db2.gz HUAWWSZFGDTEQY-LBPRGKRZSA-N 0 0 305.309 0.915 10 0 DCAERN Nc1cc(Br)ccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000061709016 184184816 /nfs/dbraw/zinc/18/48/16/184184816.db2.gz LVSVDZMZIPVVIN-MRVPVSSYSA-N 0 0 321.196 0.787 10 0 DCAERN NC(=O)CN(CC(N)=O)Cc1sccc1Br ZINC000061808434 184188496 /nfs/dbraw/zinc/18/84/96/184188496.db2.gz UJQZXUSNAZVOQK-UHFFFAOYSA-N 0 0 306.185 0.283 10 0 DCAERN C[C@H]1NC(=S)N([C@@H](Cc2ccccc2)C(=O)N(C)C)C1=O ZINC000067454582 184467603 /nfs/dbraw/zinc/46/76/03/184467603.db2.gz VBKRRQFVTJVHJM-PWSUYJOCSA-N 0 0 305.403 0.791 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@H]2COc3ccccc32)cnn1C ZINC000176606716 252603657 /nfs/dbraw/zinc/60/36/57/252603657.db2.gz HWFJPRRUJCGDEM-LBPRGKRZSA-N 0 0 300.318 0.917 10 0 DCAERN CC(C)[C@H](C)CNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000178799658 252609680 /nfs/dbraw/zinc/60/96/80/252609680.db2.gz DFHXJGQNJYQFOP-NEPJUHHUSA-N 0 0 305.444 0.859 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCOCC2CC2)C[C@H](C)O1 ZINC000088793056 252590306 /nfs/dbraw/zinc/59/03/06/252590306.db2.gz VQVISRUCJGSBHT-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000089549279 252591862 /nfs/dbraw/zinc/59/18/62/252591862.db2.gz NEKKTHMOIPCBFC-LSDHHAIUSA-N 0 0 318.373 0.462 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000174895833 252599988 /nfs/dbraw/zinc/59/99/88/252599988.db2.gz DPFSLAOSHSBTPT-UHFFFAOYSA-N 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ZNZABUMFHINTFW-MRVPVSSYSA-N 0 0 302.274 0.716 10 0 DCAERN c1ncc(NC[C@H]2COCCO2)nc1NC[C@@H]1COCCO1 ZINC000341571137 253396085 /nfs/dbraw/zinc/39/60/85/253396085.db2.gz HKJQUDKCCXTZGN-TXEJJXNPSA-N 0 0 310.354 0.131 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507256 219025506 /nfs/dbraw/zinc/02/55/06/219025506.db2.gz AFNAALJXODSOOF-IMTBSYHQSA-N 0 0 321.761 0.820 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000288702650 220357494 /nfs/dbraw/zinc/35/74/94/220357494.db2.gz YCJCROGKPUCDLW-MRXNPFEDSA-N 0 0 319.361 0.737 10 0 DCAERN CC(=O)c1ccc(-c2nc(-c3cn(C)c(=O)[nH]c3=O)no2)o1 ZINC000347041085 254124242 /nfs/dbraw/zinc/12/42/42/254124242.db2.gz BMXBHCJXKDAZKO-UHFFFAOYSA-N 0 0 302.246 0.999 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000347363897 254151317 /nfs/dbraw/zinc/15/13/17/254151317.db2.gz BGQRSRGWGYRAPF-VIFPVBQESA-N 0 0 315.395 0.799 10 0 DCAERN O=C(c1ccc(N2CCNC2=O)cc1)N1C[C@@H](F)C[C@H]1CO ZINC000347409327 254154583 /nfs/dbraw/zinc/15/45/83/254154583.db2.gz JKWAPRMPCKQHAZ-AAEUAGOBSA-N 0 0 307.325 0.761 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCOC(C)(C)C2)[C@H]1CO ZINC000408121773 296394976 /nfs/dbraw/zinc/39/49/76/296394976.db2.gz FWPUGKNPQCUXOC-NEPJUHHUSA-N 0 0 306.428 0.435 10 0 DCAERN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cn1)S(N)(=O)=O ZINC000350616229 254318774 /nfs/dbraw/zinc/31/87/74/254318774.db2.gz PEIMZBZGZMRSCC-ZCFIWIBFSA-N 0 0 311.285 0.507 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1C ZINC000350616825 254318886 /nfs/dbraw/zinc/31/88/86/254318886.db2.gz WSTLEXDJKLFJMD-LLVKDONJSA-N 0 0 300.380 0.475 10 0 DCAERN COc1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1OC ZINC000350616970 254319021 /nfs/dbraw/zinc/31/90/21/254319021.db2.gz YKCCEYCQZZKYHM-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN C[C@H](CNC(=O)c1cccc(Br)c1)S(N)(=O)=O ZINC000350620904 254319806 /nfs/dbraw/zinc/31/98/06/254319806.db2.gz PFJHZZMXLSJJOB-SSDOTTSWSA-N 0 0 321.196 0.856 10 0 DCAERN COc1ccccc1CCC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350626526 254320811 /nfs/dbraw/zinc/32/08/11/254320811.db2.gz ABBQBXIXNIZSMY-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN COc1ccccc1CCC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350626525 254320881 /nfs/dbraw/zinc/32/08/81/254320881.db2.gz ABBQBXIXNIZSMY-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN COc1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)c(OC)c1 ZINC000350628234 254321187 /nfs/dbraw/zinc/32/11/87/254321187.db2.gz IGKCHTYIRMUMFV-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN COc1cncnc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000297345301 533155333 /nfs/dbraw/zinc/15/53/33/533155333.db2.gz FKPPWHNIHDQDPU-NWDGAFQWSA-N 0 0 321.381 0.670 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000152781011 533208649 /nfs/dbraw/zinc/20/86/49/533208649.db2.gz MHOFECURSVTWDD-TXEJJXNPSA-N 0 0 306.428 0.747 10 0 DCAERN CCN1C[C@H]2[C@@H](C1)c1nc(N3CCCC3)ncc1CS2(=O)=O ZINC000249700718 257106711 /nfs/dbraw/zinc/10/67/11/257106711.db2.gz XVASTKOTNBKMJH-OLZOCXBDSA-N 0 0 322.434 0.793 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)C2CC2)O1 ZINC000248043299 257110201 /nfs/dbraw/zinc/11/02/01/257110201.db2.gz VVMCGMXCCIEYHR-SRVKXCTJSA-N 0 0 302.396 0.189 10 0 DCAERN CO[C@H]1Cn2cccc2CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000248060013 257110695 /nfs/dbraw/zinc/11/06/95/257110695.db2.gz UHHQIGVZFQJLNC-LBPRGKRZSA-N 0 0 310.379 0.441 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000247956741 257112574 /nfs/dbraw/zinc/11/25/74/257112574.db2.gz OVEGMDVHOJTIDI-ZIAGYGMSSA-N 0 0 318.439 0.843 10 0 DCAERN Cc1noc(C[C@@H]2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3O2)n1 ZINC000247962112 257113231 /nfs/dbraw/zinc/11/32/31/257113231.db2.gz PAXFZEOCDVGLOY-MDZLAQPJSA-N 0 0 315.333 0.640 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]21 ZINC000247915799 257114812 /nfs/dbraw/zinc/11/48/12/257114812.db2.gz BHWSZLXVPWYDHJ-NWDGAFQWSA-N 0 0 309.391 0.019 10 0 DCAERN O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000247866701 257116192 /nfs/dbraw/zinc/11/61/92/257116192.db2.gz OUQBMEAZZJIPHH-QWHCGFSZSA-N 0 0 322.390 0.258 10 0 DCAERN O=C([C@@H]1COC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21)N1CCCO1 ZINC000247764789 257118364 /nfs/dbraw/zinc/11/83/64/257118364.db2.gz JYOQALFTEXWDQS-HRCADAONSA-N 0 0 317.389 0.940 10 0 DCAERN CS(=O)(=O)N1CC2(C1)C[C@@H](Oc1ncccc1F)CCO2 ZINC000247545310 257119693 /nfs/dbraw/zinc/11/96/93/257119693.db2.gz UJDGLWTUBYKVNX-JTQLQIEISA-N 0 0 316.354 0.793 10 0 DCAERN C[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1S(C)(=O)=O ZINC000253591989 257105110 /nfs/dbraw/zinc/10/51/10/257105110.db2.gz SAIAYFXTAIYSGT-VIFPVBQESA-N 0 0 312.395 0.359 10 0 DCAERN CCOc1ccc(C[C@H](CNC(=O)c2ccn[nH]2)C(N)=O)cc1 ZINC000071826764 184857354 /nfs/dbraw/zinc/85/73/54/184857354.db2.gz YOPYDIYRUGKYAF-GFCCVEGCSA-N 0 0 316.361 0.882 10 0 DCAERN CO[C@@H]1CN(C(=O)c2c(Br)cnn2C)C[C@H]1OC ZINC000332663094 533467171 /nfs/dbraw/zinc/46/71/71/533467171.db2.gz GNQMQFOSGBHDIM-RKDXNWHRSA-N 0 0 318.171 0.668 10 0 DCAERN COC(=O)[C@]12CCC[C@H]1CN(c1nn3c(nccc3=O)s1)C2 ZINC000302150115 533640842 /nfs/dbraw/zinc/64/08/42/533640842.db2.gz HLJKPNCMKMAFAO-XPTSAGLGSA-N 0 0 320.374 0.931 10 0 DCAERN CC1CC(NC(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275597657 130345498 /nfs/dbraw/zinc/34/54/98/130345498.db2.gz HTIIMBDANLYTDK-CPCZMJQVSA-N 0 0 319.409 0.847 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000278550507 130701313 /nfs/dbraw/zinc/70/13/13/130701313.db2.gz IJPKNGMHMVYCPE-UONOGXRCSA-N 0 0 319.409 0.775 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C[C@H]1C(N)=O ZINC000284494661 131086599 /nfs/dbraw/zinc/08/65/99/131086599.db2.gz CVSNOLRRCRSWDT-PSASIEDQSA-N 0 0 302.334 0.060 10 0 DCAERN Cc1c(S(=O)(=O)N2CC(CC(N)=O)C2)c2ccccc2n1C ZINC000284605170 131097045 /nfs/dbraw/zinc/09/70/45/131097045.db2.gz IWVJYUTYILDNSW-UHFFFAOYSA-N 0 0 321.402 0.983 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000284804352 131112278 /nfs/dbraw/zinc/11/22/78/131112278.db2.gz KSWJOMPMEMVSFV-MBNYWOFBSA-N 0 0 322.361 0.236 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC000285273493 131153332 /nfs/dbraw/zinc/15/33/32/131153332.db2.gz AULIQNQJFOIKAF-TUAOUCFPSA-N 0 0 321.381 0.352 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000120486640 132140758 /nfs/dbraw/zinc/14/07/58/132140758.db2.gz OGTFYGYUANAMDA-UWVGGRQHSA-N 0 0 300.380 0.341 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000120604994 132148833 /nfs/dbraw/zinc/14/88/33/132148833.db2.gz MPFPALJYBSQQQF-CYBMUJFWSA-N 0 0 300.380 0.940 10 0 DCAERN CCc1onc(C)c1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000121164450 132152671 /nfs/dbraw/zinc/15/26/71/132152671.db2.gz SMVGNULGXOUTNH-PWSUYJOCSA-N 0 0 309.366 0.911 10 0 DCAERN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c(C)n1 ZINC000408275792 292050808 /nfs/dbraw/zinc/05/08/08/292050808.db2.gz DBBZWLWCOUJVEW-UHFFFAOYSA-N 0 0 316.361 0.855 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)NC(C)C ZINC000087025268 395705548 /nfs/dbraw/zinc/70/55/48/395705548.db2.gz AZIAOYXSDCFLGB-JTQLQIEISA-N 0 0 308.386 0.499 10 0 DCAERN C[C@@H](CNC=C1C(=O)NC(=O)c2ccccc21)N1CCOCC1 ZINC000032080276 395709093 /nfs/dbraw/zinc/70/90/93/395709093.db2.gz IJKATUPCMWWFFM-YGRGUWMTSA-N 0 0 315.373 0.608 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@@H](O)CNC(=O)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000032107079 395709318 /nfs/dbraw/zinc/70/93/18/395709318.db2.gz WLYZZWYBLUGTEJ-RLPMIEJPSA-N 0 0 323.345 0.015 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 ZINC000089415761 395711362 /nfs/dbraw/zinc/71/13/62/395711362.db2.gz ZPTZGDPGZGWALU-PSASIEDQSA-N 0 0 318.420 0.499 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000089418933 395711453 /nfs/dbraw/zinc/71/14/53/395711453.db2.gz APQLQJTZGOCZMK-MFKMUULPSA-N 0 0 312.391 0.438 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000089977765 395717804 /nfs/dbraw/zinc/71/78/04/395717804.db2.gz VELWURBBVNLOHW-CHWSQXEVSA-N 0 0 316.423 0.295 10 0 DCAERN COc1ccc(/C=C\C(=O)NN2CCN(C)CC2)cc1OC ZINC000034701884 395718349 /nfs/dbraw/zinc/71/83/49/395718349.db2.gz AKUJTGQYQLBWJR-ALCCZGGFSA-N 0 0 305.378 0.996 10 0 DCAERN CCCNC(=O)CNC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000027607614 395695314 /nfs/dbraw/zinc/69/53/14/395695314.db2.gz TWPVIKSOIVOMES-LBPRGKRZSA-N 0 0 305.382 0.335 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCc2c[nH]nc2C)cc1 ZINC000038012283 395730440 /nfs/dbraw/zinc/73/04/40/395730440.db2.gz ZQXPHKVPJCPLMJ-UHFFFAOYSA-N 0 0 308.363 0.556 10 0 DCAERN CC1(C)O[C@H]2[C@@H]3O[C@H]([C@H]2O1)n1c2ncnc(N)c2nc1C3=O ZINC000043771720 395754437 /nfs/dbraw/zinc/75/44/37/395754437.db2.gz PMBIEZSWQVXOIC-MOEZTCPLSA-N 0 0 303.278 0.022 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O ZINC000097262741 395756356 /nfs/dbraw/zinc/75/63/56/395756356.db2.gz YSBJRPHDELGVSG-UHFFFAOYSA-N 0 0 317.389 0.488 10 0 DCAERN Cn1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1=O ZINC000044599356 395757201 /nfs/dbraw/zinc/75/72/01/395757201.db2.gz ZKPKBBIEFRHJOC-GFCCVEGCSA-N 0 0 300.314 0.955 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000106398001 395782534 /nfs/dbraw/zinc/78/25/34/395782534.db2.gz ZKIBEQJUPIJFHZ-RCDICMHDSA-N 0 0 324.446 0.953 10 0 DCAERN CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CCCC1 ZINC000045488084 395763558 /nfs/dbraw/zinc/76/35/58/395763558.db2.gz ARRRQMTXAADZPN-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)NCCc2nc(C)no2)cc1 ZINC000101618140 395765690 /nfs/dbraw/zinc/76/56/90/395765690.db2.gz BHEKEDCYFXOVMD-CYBMUJFWSA-N 0 0 320.349 0.962 10 0 DCAERN CCc1nc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)cs1 ZINC000102378059 395770125 /nfs/dbraw/zinc/77/01/25/395770125.db2.gz VCAHWZDTZGNJIS-UHFFFAOYSA-N 0 0 324.406 0.695 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1COCCN1C1CCCC1 ZINC000193800207 395778931 /nfs/dbraw/zinc/77/89/31/395778931.db2.gz WZSGQUWXSMDISW-CQSZACIVSA-N 0 0 307.398 0.428 10 0 DCAERN CCCN(CC(=O)OC)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047952736 395803790 /nfs/dbraw/zinc/80/37/90/395803790.db2.gz CCAGSTRWCRCCGN-PHIMTYICSA-N 0 0 308.400 0.225 10 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0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000195290486 395823795 /nfs/dbraw/zinc/82/37/95/395823795.db2.gz NEAURIHBOTZMBB-LLVKDONJSA-N 0 0 321.425 0.995 10 0 DCAERN O=C(CN1CCCC[C@H]1c1nccs1)N1CCNC(=O)C1 ZINC000195365191 395825677 /nfs/dbraw/zinc/82/56/77/395825677.db2.gz FBCRNNOKEUYSTL-NSHDSACASA-N 0 0 308.407 0.629 10 0 DCAERN CCn1cc(C2CCN([C@@H](C)C(=O)NCC(=O)OC)CC2)cn1 ZINC000195501598 395829602 /nfs/dbraw/zinc/82/96/02/395829602.db2.gz OZWHKXQWJRLIGJ-LBPRGKRZSA-N 0 0 322.409 0.760 10 0 DCAERN CCc1cccc(C)c1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115909 395859719 /nfs/dbraw/zinc/85/97/19/395859719.db2.gz SGQPQLJKTADBJA-CQSZACIVSA-N 0 0 319.405 0.943 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000116832829 395847170 /nfs/dbraw/zinc/84/71/70/395847170.db2.gz XIJWOUPTJFYPJG-MRVPVSSYSA-N 0 0 304.318 0.729 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C(F)(F)c2ccccc2)C1 ZINC000116834948 395847632 /nfs/dbraw/zinc/84/76/32/395847632.db2.gz NXGPPGHWCBCSHM-NSHDSACASA-N 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CLZLLCXAUPQTTB-QWHCGFSZSA-N 0 0 307.325 0.709 10 0 DCAERN O=C1CCN(S(=O)(=O)Cc2cccc3cccnc32)CCN1 ZINC000117918021 395855995 /nfs/dbraw/zinc/85/59/95/395855995.db2.gz HRJGFTNSGSICBM-UHFFFAOYSA-N 0 0 319.386 0.887 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000117921217 395856643 /nfs/dbraw/zinc/85/66/43/395856643.db2.gz DAUGYLKPUUMISZ-UWVGGRQHSA-N 0 0 306.409 0.881 10 0 DCAERN CC(=O)NCC(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000194247865 395792172 /nfs/dbraw/zinc/79/21/72/395792172.db2.gz LKGALRVUOBCDLD-UHFFFAOYSA-N 0 0 313.357 0.649 10 0 DCAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000270636655 395792540 /nfs/dbraw/zinc/79/25/40/395792540.db2.gz NLIAEUMQLJDUDG-PRHODGIISA-N 0 0 324.358 0.368 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H](C)CO1 ZINC000047474936 395793855 /nfs/dbraw/zinc/79/38/55/395793855.db2.gz CKSIFFCUGYTWFP-GHMZBOCLSA-N 0 0 317.345 0.326 10 0 DCAERN CCOC[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000109227401 395796149 /nfs/dbraw/zinc/79/61/49/395796149.db2.gz BMQVOGIPNMWLLK-QMMMGPOBSA-N 0 0 306.409 0.479 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(CCO)CC(F)F ZINC000194410076 395796290 /nfs/dbraw/zinc/79/62/90/395796290.db2.gz UDNKCDAVJNSAAX-UHFFFAOYSA-N 0 0 300.305 0.811 10 0 DCAERN O=C(CN1CCCC1=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000110952385 395802269 /nfs/dbraw/zinc/80/22/69/395802269.db2.gz TWIMDXCCBLRPOU-AWEZNQCLSA-N 0 0 309.410 0.322 10 0 DCAERN O=C(CNC(=O)NCCc1ccccn1)NCc1ccco1 ZINC000054092639 395894031 /nfs/dbraw/zinc/89/40/31/395894031.db2.gz NSXLQUWBLPPFHH-UHFFFAOYSA-N 0 0 302.334 0.833 10 0 DCAERN CCC(CC)[C@H](CNC(=O)[C@@H]1COCCN1)N1CCOCC1 ZINC000236690930 395896292 /nfs/dbraw/zinc/89/62/92/395896292.db2.gz QDTNGXYUAKIFAJ-GJZGRUSLSA-N 0 0 313.442 0.228 10 0 DCAERN CCCN(CCC)C(=O)CN1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123858536 395898460 /nfs/dbraw/zinc/89/84/60/395898460.db2.gz WLNCKOYJFUXPBC-OLZOCXBDSA-N 0 0 300.399 0.897 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)c1C ZINC000124196238 395899739 /nfs/dbraw/zinc/89/97/39/395899739.db2.gz IOUFUZAOEVGIJU-NEPJUHHUSA-N 0 0 321.377 0.573 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000054452052 395899972 /nfs/dbraw/zinc/89/99/72/395899972.db2.gz LLFMYUDCKMNRRL-KGLIPLIRSA-N 0 0 316.357 0.847 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOCC ZINC000054457290 395900589 /nfs/dbraw/zinc/90/05/89/395900589.db2.gz TUTIQJFELCAXMJ-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN O=C(Nc1ccsc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000125840362 395906716 /nfs/dbraw/zinc/90/67/16/395906716.db2.gz MHDUHQGHFNQCHS-LBPRGKRZSA-N 0 0 320.374 0.811 10 0 DCAERN O=C(Nc1ccsc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000125840580 395906855 /nfs/dbraw/zinc/90/68/55/395906855.db2.gz MHDUHQGHFNQCHS-GFCCVEGCSA-N 0 0 320.374 0.811 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCN1CC(F)F ZINC000125980040 395908629 /nfs/dbraw/zinc/90/86/29/395908629.db2.gz ZSWIHUGTZULLLD-JTQLQIEISA-N 0 0 314.336 0.915 10 0 DCAERN Cc1cnn(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000055100773 395911470 /nfs/dbraw/zinc/91/14/70/395911470.db2.gz OPTQIPLXVMHVPU-CQSZACIVSA-N 0 0 320.393 0.289 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)sc1C ZINC000126413219 395912499 /nfs/dbraw/zinc/91/24/99/395912499.db2.gz HEGYAPWZASFZLU-LLVKDONJSA-N 0 0 308.407 0.545 10 0 DCAERN O=S(=O)(C1CC1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000126756614 395913405 /nfs/dbraw/zinc/91/34/05/395913405.db2.gz ZLLUMBWUXMVWJU-CMPLNLGQSA-N 0 0 301.364 0.896 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1C ZINC000055246850 395914980 /nfs/dbraw/zinc/91/49/80/395914980.db2.gz OEKBHQANTPDNNH-GFCCVEGCSA-N 0 0 312.391 0.903 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN1CCCC1=O ZINC000055815683 395922197 /nfs/dbraw/zinc/92/21/97/395922197.db2.gz XUKVUFFDQJFWDH-QWHCGFSZSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(CNC(=O)[C@H]1COc2ccccc2O1)NCc1ccco1 ZINC000052568567 395865837 /nfs/dbraw/zinc/86/58/37/395865837.db2.gz SYZBZRFJSNVFKL-CQSZACIVSA-N 0 0 316.313 0.852 10 0 DCAERN CN(C)c1cccc(CNC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000119167608 395867975 /nfs/dbraw/zinc/86/79/75/395867975.db2.gz YCQRTJAMMKMARH-ZDUSSCGKSA-N 0 0 307.398 0.277 10 0 DCAERN O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1COCCO1 ZINC000052901621 395872560 /nfs/dbraw/zinc/87/25/60/395872560.db2.gz VHLQCDYTNXFCNO-ZDUSSCGKSA-N 0 0 311.309 0.766 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[C@@H](C)O ZINC000228659426 395872832 /nfs/dbraw/zinc/87/28/32/395872832.db2.gz JMQCAUUHFIAUEM-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(N)nc(N)n1 ZINC000245437641 395928602 /nfs/dbraw/zinc/92/86/02/395928602.db2.gz DYKNVOFXFQYZJU-AEJSXWLSSA-N 0 0 306.370 0.342 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000245427800 395928660 /nfs/dbraw/zinc/92/86/60/395928660.db2.gz IATPAOCHWMNVRL-OLZOCXBDSA-N 0 0 320.455 0.236 10 0 DCAERN CN1C(=O)C[C@H](N2CCO[C@@]3(CCc4ccccc43)C2)C1=O ZINC000245550896 395932104 /nfs/dbraw/zinc/93/21/04/395932104.db2.gz OUOZUUXUOKJHBS-YOEHRIQHSA-N 0 0 300.358 0.918 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000056850320 395934008 /nfs/dbraw/zinc/93/40/08/395934008.db2.gz KNWDWZLOBHMCTJ-JTQLQIEISA-N 0 0 304.755 0.048 10 0 DCAERN Cc1cccnc1[C@H](NC(=O)CN1CC(=O)NC1=O)C(C)C ZINC000134964111 395936499 /nfs/dbraw/zinc/93/64/99/395936499.db2.gz DAEKNALCHSLHNS-CYBMUJFWSA-N 0 0 304.350 0.755 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@H](C)CO)cc1 ZINC000135609080 395942091 /nfs/dbraw/zinc/94/20/91/395942091.db2.gz MLVZAYQEHSPCLX-SNVBAGLBSA-N 0 0 301.364 0.403 10 0 DCAERN CN(C)c1ncc(CNC(=O)N2CCO[C@]3(CCOC3)C2)n1C ZINC000274365831 395942415 /nfs/dbraw/zinc/94/24/15/395942415.db2.gz FEPXWHGHHSGFDM-OAHLLOKOSA-N 0 0 323.397 0.187 10 0 DCAERN Cc1ccc(C(=O)NCC[C@@H](C)O)cc1NS(C)(=O)=O ZINC000136036196 395943752 /nfs/dbraw/zinc/94/37/52/395943752.db2.gz LKVOLZUQMFUCFD-SNVBAGLBSA-N 0 0 300.380 0.867 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232734 395945060 /nfs/dbraw/zinc/94/50/60/395945060.db2.gz RUWQSPWSPVIMKN-LLVKDONJSA-N 0 0 321.352 0.771 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCN1C(=O)CCC1=O ZINC000246253866 395945234 /nfs/dbraw/zinc/94/52/34/395945234.db2.gz JIGYNIBJZNWKDE-XQQFMLRXSA-N 0 0 308.378 0.942 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000246257144 395945510 /nfs/dbraw/zinc/94/55/10/395945510.db2.gz KAEKSMSHWPGYKW-MELADBBJSA-N 0 0 305.378 0.988 10 0 DCAERN CN1CCO[C@@H](CNc2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246319301 395946738 /nfs/dbraw/zinc/94/67/38/395946738.db2.gz ZSWFDWVNPMIETD-STQMWFEESA-N 0 0 307.398 0.180 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000246428307 395949641 /nfs/dbraw/zinc/94/96/41/395949641.db2.gz LBARWBOSHIPJTA-YPMHNXCESA-N 0 0 308.382 0.574 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)NCC(=O)NCc1ccco1 ZINC000057921273 395950404 /nfs/dbraw/zinc/95/04/04/395950404.db2.gz SXPNIUASAQKFCW-UHFFFAOYSA-N 0 0 318.333 0.245 10 0 DCAERN CC[C@H]1CN(C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630011 395954228 /nfs/dbraw/zinc/95/42/28/395954228.db2.gz SSPMQEJOTKPBAB-KBPBESRZSA-N 0 0 306.472 0.710 10 0 DCAERN COCCn1nc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)ccc1=O ZINC000246893752 395960261 /nfs/dbraw/zinc/96/02/61/395960261.db2.gz DVGSCGXSYVELIT-OUCADQQQSA-N 0 0 321.377 0.577 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](C)CS(C)(=O)=O)[C@@H]2C1 ZINC000246923057 395960712 /nfs/dbraw/zinc/96/07/12/395960712.db2.gz RVXFVDXGXCJYTD-SYQHCUMBSA-N 0 0 305.440 0.935 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCCCOCC1CC1)c2=O ZINC000144435287 395962887 /nfs/dbraw/zinc/96/28/87/395962887.db2.gz HLZJHUPKYINYLY-UHFFFAOYSA-N 0 0 319.365 0.063 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCCCN1CCCC1=O ZINC000144986621 395963664 /nfs/dbraw/zinc/96/36/64/395963664.db2.gz MZMAQHAMJMKKHQ-UHFFFAOYSA-N 0 0 310.398 0.311 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccs1)[C@H](C)CO ZINC000247007940 395963874 /nfs/dbraw/zinc/96/38/74/395963874.db2.gz ZBIPQYYRZJLCIU-BBBLOLIVSA-N 0 0 320.436 0.548 10 0 DCAERN CC(C)C[C@@H](CO)N(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000274679730 395966985 /nfs/dbraw/zinc/96/69/85/395966985.db2.gz GYEJEOMAJZGWDB-VIFPVBQESA-N 0 0 309.370 0.216 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000247147671 395967491 /nfs/dbraw/zinc/96/74/91/395967491.db2.gz PQVJYWFKXDYPTI-UONOGXRCSA-N 0 0 302.415 0.607 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000150716614 395970930 /nfs/dbraw/zinc/97/09/30/395970930.db2.gz GFEJDIDISCLSJJ-QWHCGFSZSA-N 0 0 323.393 0.482 10 0 DCAERN CS(=O)(=O)N1CCN(CCCOc2cccc(N)c2)CC1 ZINC000062081489 395972402 /nfs/dbraw/zinc/97/24/02/395972402.db2.gz WLNJQCXBTZSGIP-UHFFFAOYSA-N 0 0 313.423 0.615 10 0 DCAERN CCS(=O)(=O)NCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000150915229 395975854 /nfs/dbraw/zinc/97/58/54/395975854.db2.gz JPFLSXWHWCORHO-LBPRGKRZSA-N 0 0 323.422 0.857 10 0 DCAERN NC(=O)COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000151042413 395977328 /nfs/dbraw/zinc/97/73/28/395977328.db2.gz BXSQDJQDOXWUGV-OCCSQVGLSA-N 0 0 306.362 0.832 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCC[C@@H](n4cncn4)C3)C2=O)cn1 ZINC000247746523 395978066 /nfs/dbraw/zinc/97/80/66/395978066.db2.gz YFMZZTCUCXZRKP-TZMCWYRMSA-N 0 0 315.381 0.454 10 0 DCAERN Cn1ncnc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000151145107 395980533 /nfs/dbraw/zinc/98/05/33/395980533.db2.gz JCCPEDBYNRHLKK-CYBMUJFWSA-N 0 0 313.361 0.845 10 0 DCAERN CCc1nnc(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000151451711 395985877 /nfs/dbraw/zinc/98/58/77/395985877.db2.gz KBYNNZFMMWNCCH-SSDOTTSWSA-N 0 0 304.397 0.751 10 0 DCAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3COCCN3)cc2)n1 ZINC000153411784 396024110 /nfs/dbraw/zinc/02/41/10/396024110.db2.gz JNWFCVJVOBTMSI-CYBMUJFWSA-N 0 0 314.345 0.672 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000153773966 396025600 /nfs/dbraw/zinc/02/56/00/396025600.db2.gz BWAQNJVDWMWJIG-LLVKDONJSA-N 0 0 308.357 0.832 10 0 DCAERN Cn1cc(CNC(=O)CN2CCCC2=O)c(C(F)(F)F)n1 ZINC000154033441 396029874 /nfs/dbraw/zinc/02/98/74/396029874.db2.gz WKZDSVCGOQSEQB-UHFFFAOYSA-N 0 0 304.272 0.678 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@]3(O)CCSC3)CCO2)cn1 ZINC000276832725 396030844 /nfs/dbraw/zinc/03/08/44/396030844.db2.gz LBKQYWKIUNPNLZ-OCCSQVGLSA-N 0 0 311.407 0.671 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[C@@H]1CCOC1 ZINC000276844096 396032281 /nfs/dbraw/zinc/03/22/81/396032281.db2.gz YZQOEJYBQFLUIR-BFHYXJOUSA-N 0 0 321.425 0.843 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154142958 396033242 /nfs/dbraw/zinc/03/32/42/396033242.db2.gz WCPJRRQDZAQCAJ-OAHLLOKOSA-N 0 0 322.405 0.492 10 0 DCAERN Cc1cc(NC(=O)CCN2CCS(=O)(=O)[C@@H](C)C2)no1 ZINC000155401658 396050922 /nfs/dbraw/zinc/05/09/22/396050922.db2.gz BMUJJORYXSNYEC-JTQLQIEISA-N 0 0 301.368 0.431 10 0 DCAERN C[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCS1(=O)=O ZINC000155471991 396052809 /nfs/dbraw/zinc/05/28/09/396052809.db2.gz ABVPRAFWGXCWLD-LBPRGKRZSA-N 0 0 306.391 0.886 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155620299 396054850 /nfs/dbraw/zinc/05/48/50/396054850.db2.gz MMQQUPGDKBPXSB-LLVKDONJSA-N 0 0 322.390 0.879 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261697983 396057642 /nfs/dbraw/zinc/05/76/42/396057642.db2.gz LJPUVRDQWNSPEX-CQSZACIVSA-N 0 0 313.423 0.783 10 0 DCAERN [NH3+][C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000261794860 396066643 /nfs/dbraw/zinc/06/66/43/396066643.db2.gz NTACJMNSUOTISU-LLVKDONJSA-N 0 0 309.332 0.447 10 0 DCAERN CNc1nnc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)s1 ZINC000249269784 396004418 /nfs/dbraw/zinc/00/44/18/396004418.db2.gz IYUKTNLXPDGWRL-AUTRQRHGSA-N 0 0 324.406 0.922 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCN1c1ccccc1Cl ZINC000249367387 396007090 /nfs/dbraw/zinc/00/70/90/396007090.db2.gz VOPRNSGCEHUWJU-UHIISALHSA-N 0 0 310.781 0.873 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000276530535 396007647 /nfs/dbraw/zinc/00/76/47/396007647.db2.gz UTKOWIFETWTDJF-CYBMUJFWSA-N 0 0 317.172 0.985 10 0 DCAERN C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCN1CCO ZINC000249516786 396009201 /nfs/dbraw/zinc/00/92/01/396009201.db2.gz RRELQLOKQXDUCZ-JKXDFHQYSA-N 0 0 308.422 0.907 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CCN1CCO ZINC000250108753 396013467 /nfs/dbraw/zinc/01/34/67/396013467.db2.gz SMAKVNNHVLONAI-OCCSQVGLSA-N 0 0 317.389 0.637 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000167462434 396089360 /nfs/dbraw/zinc/08/93/60/396089360.db2.gz JQVXZONSNMQVJV-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN Cn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)[C@@H]1CCCO1)C2 ZINC000169765320 396091053 /nfs/dbraw/zinc/09/10/53/396091053.db2.gz VYFOXQKZKLKRAY-ZDUSSCGKSA-N 0 0 318.377 0.677 10 0 DCAERN CN1CCC[C@@H]1c1nc(C2CN(C(=O)c3cc[nH]n3)C2)no1 ZINC000169782880 396092050 /nfs/dbraw/zinc/09/20/50/396092050.db2.gz IUDUIKWENNXFTH-LLVKDONJSA-N 0 0 302.338 0.799 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]c(=O)n2CC1)c1[nH]nc2ccccc21 ZINC000169783676 396092725 /nfs/dbraw/zinc/09/27/25/396092725.db2.gz SITYKBHDCKBWCM-VIFPVBQESA-N 0 0 312.333 0.583 10 0 DCAERN Cc1csc([C@@H]2CN(CCCS(N)(=O)=O)CCO2)n1 ZINC000170914486 396101755 /nfs/dbraw/zinc/10/17/55/396101755.db2.gz AJIRYOSJKAONER-JTQLQIEISA-N 0 0 305.425 0.503 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)[C@@H](C)NC(N)=O)C2)c1 ZINC000171019152 396104242 /nfs/dbraw/zinc/10/42/42/396104242.db2.gz LKYSWPGGUGUUPV-VXGBXAGGSA-N 0 0 320.393 0.695 10 0 DCAERN Cc1nnc(NC(=O)N2CCN(c3cccnn3)CC2)s1 ZINC000171167633 396109284 /nfs/dbraw/zinc/10/92/84/396109284.db2.gz ULYPAIRPIUVQMU-UHFFFAOYSA-N 0 0 305.367 0.991 10 0 DCAERN CN1CCC[C@H]1CNC(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000171275303 396112630 /nfs/dbraw/zinc/11/26/30/396112630.db2.gz QUQQXJPZUXQHFC-JTQLQIEISA-N 0 0 300.380 0.648 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000171401236 396115814 /nfs/dbraw/zinc/11/58/14/396115814.db2.gz IEGUBMGJXHMCHN-VXGBXAGGSA-N 0 0 300.318 0.693 10 0 DCAERN C[NH2+][C@H](C(=O)N1CCN(CC(F)F)CC1)c1cnn(C)c1 ZINC000262363414 396130290 /nfs/dbraw/zinc/13/02/90/396130290.db2.gz KRNACXQKERZNJI-LBPRGKRZSA-N 0 0 301.341 0.090 10 0 DCAERN Cn1cc(NC(=O)c2cnc3ccccc3n2)c(=O)n(C)c1=O ZINC000172593623 396132185 /nfs/dbraw/zinc/13/21/85/396132185.db2.gz MXRKUYAJLXVZDO-UHFFFAOYSA-N 0 0 311.301 0.280 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)[nH]1 ZINC000173520940 396135480 /nfs/dbraw/zinc/13/54/80/396135480.db2.gz YREVIUJQELNQAD-GFCCVEGCSA-N 0 0 316.365 0.929 10 0 DCAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCNC1=O ZINC000069333479 396075292 /nfs/dbraw/zinc/07/52/92/396075292.db2.gz DXBPMSJXHUHFKP-PWSUYJOCSA-N 0 0 319.386 0.884 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3cccnc3)CCO2)[nH]1 ZINC000175350795 396140432 /nfs/dbraw/zinc/14/04/32/396140432.db2.gz IBCORDYDWUJYEY-ZDUSSCGKSA-N 0 0 316.365 0.834 10 0 DCAERN CCN(Cc1c(F)cccc1F)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000069518811 396081193 /nfs/dbraw/zinc/08/11/93/396081193.db2.gz PCUXYUIEAVGBCR-NSHDSACASA-N 0 0 311.288 0.911 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)C(=O)Nc3cnn(C)c3)CCO2)o1 ZINC000162809855 396083747 /nfs/dbraw/zinc/08/37/47/396083747.db2.gz SUXFJSJQWUQTRZ-CYBMUJFWSA-N 0 0 318.333 0.860 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000162976379 396084993 /nfs/dbraw/zinc/08/49/93/396084993.db2.gz NSHIYLXEUDBXEB-OLZOCXBDSA-N 0 0 324.425 0.698 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CCC1=O ZINC000162900592 396085071 /nfs/dbraw/zinc/08/50/71/396085071.db2.gz UEOAHIOJTVBNJF-NEPJUHHUSA-N 0 0 305.382 0.920 10 0 DCAERN O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCNC(=O)C1 ZINC000162959479 396085166 /nfs/dbraw/zinc/08/51/66/396085166.db2.gz ATVOELLOUZIHNU-LBPRGKRZSA-N 0 0 313.361 0.657 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1CC(F)(F)CN1)NC1CCCCC1 ZINC000263190755 396205157 /nfs/dbraw/zinc/20/51/57/396205157.db2.gz HVXYSKMVQAOHAI-NSHDSACASA-N 0 0 318.368 0.732 10 0 DCAERN O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CC(F)(F)CN1 ZINC000263303420 396212880 /nfs/dbraw/zinc/21/28/80/396212880.db2.gz XJBTVONKQSXRQF-NSHDSACASA-N 0 0 309.316 0.689 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)CC2 ZINC000263244794 396208505 /nfs/dbraw/zinc/20/85/05/396208505.db2.gz PDNDYQPHKFPHPE-ZJUUUORDSA-N 0 0 313.352 0.830 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2ccon2)CC1 ZINC000263237881 396208527 /nfs/dbraw/zinc/20/85/27/396208527.db2.gz OGWFWABFVONWLP-LLVKDONJSA-N 0 0 300.309 0.316 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(Cc2nc(Cn3cccn3)no2)C1=O ZINC000073342098 396144849 /nfs/dbraw/zinc/14/48/49/396144849.db2.gz GQNCPXBLTJDWCV-CQSZACIVSA-N 0 0 316.321 0.535 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1CC ZINC000176738287 396160163 /nfs/dbraw/zinc/16/01/63/396160163.db2.gz WERUXJDOBOLVFT-ZDUSSCGKSA-N 0 0 322.409 0.687 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C[C@H]1CCCO1 ZINC000076967564 396210332 /nfs/dbraw/zinc/21/03/32/396210332.db2.gz YNOASCPXSIZKJP-LLVKDONJSA-N 0 0 312.391 0.893 10 0 DCAERN CCn1cnnc1-c1ccccc1NC(=O)N[C@H](C)C(N)=O ZINC000177001546 396164322 /nfs/dbraw/zinc/16/43/22/396164322.db2.gz WFTCSLBNOPGSDH-SECBINFHSA-N 0 0 302.338 0.960 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000177263310 396170155 /nfs/dbraw/zinc/17/01/55/396170155.db2.gz HSHZUZWKSCCTSU-LLVKDONJSA-N 0 0 318.420 0.876 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)c1cccs1 ZINC000177312223 396172043 /nfs/dbraw/zinc/17/20/43/396172043.db2.gz CIJVZIJUIKDQMV-SNVBAGLBSA-N 0 0 320.436 0.881 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCn2ccnc2C1 ZINC000074785091 396172121 /nfs/dbraw/zinc/17/21/21/396172121.db2.gz SMOGBSNTLUUFFP-UHFFFAOYSA-N 0 0 324.340 0.912 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@H](C)CO[C@@H]3CCOC3)c2n1 ZINC000177374852 396173943 /nfs/dbraw/zinc/17/39/43/396173943.db2.gz HBQMVKSUACERCU-VXGBXAGGSA-N 0 0 304.350 0.962 10 0 DCAERN CC(C)(C)[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)CCO1 ZINC000279450075 396176401 /nfs/dbraw/zinc/17/64/01/396176401.db2.gz VOKQLKDQDRZSLM-JTQLQIEISA-N 0 0 318.381 0.682 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000177603794 396179403 /nfs/dbraw/zinc/17/94/03/396179403.db2.gz WQYVMFIIFASENH-STQMWFEESA-N 0 0 317.393 0.878 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000075534321 396181065 /nfs/dbraw/zinc/18/10/65/396181065.db2.gz IBCOIJOXZHMBMG-FRRDWIJNSA-N 0 0 302.440 0.752 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000177775753 396182738 /nfs/dbraw/zinc/18/27/38/396182738.db2.gz NNMOOWILMMIMQA-YRGRVCCFSA-N 0 0 303.362 0.885 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2cccnc2)CC1 ZINC000262910413 396191277 /nfs/dbraw/zinc/19/12/77/396191277.db2.gz FRGQZCAEQYXXLQ-ZDUSSCGKSA-N 0 0 310.348 0.723 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262950330 396194050 /nfs/dbraw/zinc/19/40/50/396194050.db2.gz OPQRVLJKUOHGDH-STQMWFEESA-N 0 0 300.399 0.912 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000180873738 396235412 /nfs/dbraw/zinc/23/54/12/396235412.db2.gz SOHIBWVHNJCOQN-ZJUUUORDSA-N 0 0 314.345 0.649 10 0 DCAERN CC(C)[C@H](C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000077897454 396237212 /nfs/dbraw/zinc/23/72/12/396237212.db2.gz XTLQZXJXGCNTIA-SNVBAGLBSA-N 0 0 320.436 0.904 10 0 DCAERN CC[C@](C)(O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181228732 396238327 /nfs/dbraw/zinc/23/83/27/396238327.db2.gz KKCIGZKWGJAPDF-ZDUSSCGKSA-N 0 0 317.411 0.166 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCNC(=O)C1 ZINC000078263939 396241425 /nfs/dbraw/zinc/24/14/25/396241425.db2.gz QTBQHFBLHRMREQ-UHFFFAOYSA-N 0 0 316.361 0.886 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc(F)cc1F ZINC000181781787 396242334 /nfs/dbraw/zinc/24/23/34/396242334.db2.gz SNFMYDPADIDZOA-UHFFFAOYSA-N 0 0 309.276 0.701 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCC(C)(C)C[C@H](C)O)CC1 ZINC000181836541 396243178 /nfs/dbraw/zinc/24/31/78/396243178.db2.gz ICZGQCYLBBFLJL-UONOGXRCSA-N 0 0 315.458 0.882 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000182042898 396245766 /nfs/dbraw/zinc/24/57/66/396245766.db2.gz SWEPJQMUOLGAFH-QMMMGPOBSA-N 0 0 306.244 0.567 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@@H](C)C[S@@](C)=O ZINC000182117844 396246909 /nfs/dbraw/zinc/24/69/09/396246909.db2.gz WYRHVVFDRXOGEU-LAJNKCICSA-N 0 0 310.419 0.950 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cc([C@H]3CCCO3)nn2C)CC(=O)N1C ZINC000282014956 396255665 /nfs/dbraw/zinc/25/56/65/396255665.db2.gz IYOXOENLYYFKBI-ZYHUDNBSSA-N 0 0 321.381 0.966 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)NCCCn1ccnn1 ZINC000182962901 396257477 /nfs/dbraw/zinc/25/74/77/396257477.db2.gz IAZJDWQZCIYWTE-UHFFFAOYSA-N 0 0 312.333 0.195 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCCn1ccnn1 ZINC000182976032 396258212 /nfs/dbraw/zinc/25/82/12/396258212.db2.gz UXKUUJOPOCQNOY-UHFFFAOYSA-N 0 0 315.337 0.389 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282071083 396260618 /nfs/dbraw/zinc/26/06/18/396260618.db2.gz ZAYGXRIHPYSZQI-WDEREUQCSA-N 0 0 320.397 0.548 10 0 DCAERN COCc1cccc(S(=O)(=O)NCCCn2ccnn2)c1 ZINC000183166961 396263728 /nfs/dbraw/zinc/26/37/28/396263728.db2.gz JYOXXJYYIDOUSP-UHFFFAOYSA-N 0 0 310.379 0.793 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)[C@@H](C)C2 ZINC000183173759 396264210 /nfs/dbraw/zinc/26/42/10/396264210.db2.gz MFTBITKITUIINR-UFBFGSQYSA-N 0 0 314.345 0.617 10 0 DCAERN Cc1noc(CCNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000183416090 396270158 /nfs/dbraw/zinc/27/01/58/396270158.db2.gz OYCOZLNYRQXGHE-GFCCVEGCSA-N 0 0 318.333 0.913 10 0 DCAERN CSC1(CNC(=O)NCCCn2ccnn2)CCOCC1 ZINC000183569540 396270807 /nfs/dbraw/zinc/27/08/07/396270807.db2.gz AVORGHICIPEABX-UHFFFAOYSA-N 0 0 313.427 0.880 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C(N)=O)C(C)(C)C)CC2 ZINC000183630382 396272759 /nfs/dbraw/zinc/27/27/59/396272759.db2.gz ZUWNGHILTDIGDB-SKDRFNHKSA-N 0 0 322.413 0.355 10 0 DCAERN COC(=O)c1coc(C(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000184070295 396283170 /nfs/dbraw/zinc/28/31/70/396283170.db2.gz WNWKZELGGYVPTO-UHFFFAOYSA-N 0 0 308.212 0.475 10 0 DCAERN O=C(CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)NCC1CC1 ZINC000183773852 396274635 /nfs/dbraw/zinc/27/46/35/396274635.db2.gz ZACAYQIETIBVCF-DZGCQCFKSA-N 0 0 303.362 0.470 10 0 DCAERN O=C(CNC(=O)N1CCCN(CC(F)F)CC1)NCC1CC1 ZINC000183792301 396275553 /nfs/dbraw/zinc/27/55/53/396275553.db2.gz WKOAJSBLYICVNB-UHFFFAOYSA-N 0 0 318.368 0.495 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)c1 ZINC000263317302 396213418 /nfs/dbraw/zinc/21/34/18/396213418.db2.gz ZRLYHOSJCJPIDC-NWDGAFQWSA-N 0 0 314.336 0.416 10 0 DCAERN Cn1c(=O)cc(COc2ccccc2-c2nc[nH]n2)n(C)c1=O ZINC000178926610 396215308 /nfs/dbraw/zinc/21/53/08/396215308.db2.gz OJXIYABDLWBVOE-UHFFFAOYSA-N 0 0 313.317 0.448 10 0 DCAERN CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O ZINC000077263908 396216339 /nfs/dbraw/zinc/21/63/39/396216339.db2.gz PRSLNLIIHSMMBC-GYSYKLTISA-N 0 0 310.398 0.180 10 0 biogenic DCAERN Cc1cnn(Cc2cc(C(=O)N[C@H](C)c3nc[nH]n3)no2)c1 ZINC000178977983 396216856 /nfs/dbraw/zinc/21/68/56/396216856.db2.gz SONCHVXSUYVKOB-SECBINFHSA-N 0 0 301.310 0.837 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000280798494 396221815 /nfs/dbraw/zinc/22/18/15/396221815.db2.gz PSYCUXHBEOQXFQ-JHJVBQTASA-N 0 0 319.409 0.847 10 0 DCAERN Cc1noc(CCNC(=O)NCc2cccc(N(C)C)n2)n1 ZINC000179209746 396224394 /nfs/dbraw/zinc/22/43/94/396224394.db2.gz NSJGOEWUQJQSDY-UHFFFAOYSA-N 0 0 304.354 0.881 10 0 DCAERN c1cnn(-c2cncc(N3CCN(c4cccnn4)CC3)n2)c1 ZINC000263703941 396225009 /nfs/dbraw/zinc/22/50/09/396225009.db2.gz LXOMMVZVVQMMFZ-UHFFFAOYSA-N 0 0 308.349 0.779 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000179757079 396229010 /nfs/dbraw/zinc/22/90/10/396229010.db2.gz DTKRJMAGFPMDAG-ZDUSSCGKSA-N 0 0 312.414 0.666 10 0 DCAERN CNC(=O)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000184964146 396312864 /nfs/dbraw/zinc/31/28/64/396312864.db2.gz PJXHVZWUUZPGIF-UHFFFAOYSA-N 0 0 303.240 0.295 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000185006079 396314404 /nfs/dbraw/zinc/31/44/04/396314404.db2.gz PIVFEDFURUCPRT-GSDQLPOLSA-N 0 0 302.371 0.884 10 0 DCAERN C[C@@H](NC(=O)NCC(F)(F)CO)c1nnc2n1CCCC2 ZINC000185081604 396316549 /nfs/dbraw/zinc/31/65/49/396316549.db2.gz IUGFFRIZIFPABI-MRVPVSSYSA-N 0 0 303.313 0.602 10 0 DCAERN Cc1nc(C2(NC(=O)CN3CC(=O)NC3=O)CCCCC2)no1 ZINC000265445217 396318112 /nfs/dbraw/zinc/31/81/12/396318112.db2.gz LXIZDANJXADUNH-UHFFFAOYSA-N 0 0 321.337 0.205 10 0 DCAERN COC(=O)C1(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000185133416 396318539 /nfs/dbraw/zinc/31/85/39/396318539.db2.gz XVTIWGVEOCIFJT-NSHDSACASA-N 0 0 306.366 0.458 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000184073192 396283843 /nfs/dbraw/zinc/28/38/43/396283843.db2.gz YTAAAMRROHDZOG-GJZGRUSLSA-N 0 0 317.389 0.902 10 0 DCAERN O=c1c2ccccc2ncn1CCN1CCO[C@@]2(CCOC2)C1 ZINC000185154582 396319475 /nfs/dbraw/zinc/31/94/75/396319475.db2.gz NLTDFHHTYNBIGE-KRWDZBQOSA-N 0 0 315.373 0.888 10 0 DCAERN O=C(N1CCCN(c2ccccn2)CC1)[C@]1(O)CCSC1 ZINC000184227580 396288497 /nfs/dbraw/zinc/28/84/97/396288497.db2.gz FTVTXLAAXWIECV-HNNXBMFYSA-N 0 0 307.419 0.988 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@]2(CO)CCOC2)cc1C ZINC000184262002 396289107 /nfs/dbraw/zinc/28/91/07/396289107.db2.gz MXSGDKNRSLVRKC-MRXNPFEDSA-N 0 0 306.362 0.301 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000184276945 396289246 /nfs/dbraw/zinc/28/92/46/396289246.db2.gz XKHAYYNEIYZYLX-AWEZNQCLSA-N 0 0 311.426 0.601 10 0 DCAERN NC(=O)CONC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184253711 396289349 /nfs/dbraw/zinc/28/93/49/396289349.db2.gz OXATVGYKTJRCTM-VIFPVBQESA-N 0 0 305.256 0.876 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccn(CCOC)n1 ZINC000184357475 396292745 /nfs/dbraw/zinc/29/27/45/396292745.db2.gz YPZRCNUOCQEAMX-ZDUSSCGKSA-N 0 0 310.398 0.969 10 0 DCAERN CNC(=O)CC1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000184400585 396294417 /nfs/dbraw/zinc/29/44/17/396294417.db2.gz HPVFXWUSYHSEGK-UHFFFAOYSA-N 0 0 315.377 0.957 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC2(CO)CCCC2)cn1 ZINC000184588608 396299529 /nfs/dbraw/zinc/29/95/29/396299529.db2.gz CXYMANHLRHQODF-UHFFFAOYSA-N 0 0 309.370 0.303 10 0 DCAERN COCCCCS(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000184767052 396306344 /nfs/dbraw/zinc/30/63/44/396306344.db2.gz IFJROAJXUQRFTD-ZDUSSCGKSA-N 0 0 306.428 0.196 10 0 DCAERN COCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000184846609 396308804 /nfs/dbraw/zinc/30/88/04/396308804.db2.gz FSNOEQQGCIPCAG-CYBMUJFWSA-N 0 0 309.341 0.963 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000081826293 396309370 /nfs/dbraw/zinc/30/93/70/396309370.db2.gz IXWTUTMUKNFPQF-IUCAKERBSA-N 0 0 316.354 0.723 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc21 ZINC000184868519 396309502 /nfs/dbraw/zinc/30/95/02/396309502.db2.gz AILIAFBAKXWLFJ-HUUCEWRRSA-N 0 0 316.361 0.988 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000185235423 396322347 /nfs/dbraw/zinc/32/23/47/396322347.db2.gz BJPMXYLDULPWSF-LLVKDONJSA-N 0 0 301.350 0.567 10 0 DCAERN Cc1nsc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185276001 396323471 /nfs/dbraw/zinc/32/34/71/396323471.db2.gz WDLZFGHUJTUPKH-UHFFFAOYSA-N 0 0 309.399 0.618 10 0 DCAERN COC(=O)C[C@@H]1CSCCN1Cc1nc(N(C)C)no1 ZINC000185271408 396324070 /nfs/dbraw/zinc/32/40/70/396324070.db2.gz ZLVSAHJXDHQILI-SECBINFHSA-N 0 0 300.384 0.616 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000185345910 396325412 /nfs/dbraw/zinc/32/54/12/396325412.db2.gz DDIIIXZYQRNFMJ-KGLIPLIRSA-N 0 0 309.410 0.476 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000185550120 396330102 /nfs/dbraw/zinc/33/01/02/396330102.db2.gz LVGZXPPIWBXDER-MRXNPFEDSA-N 0 0 304.346 0.951 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000284715371 396346077 /nfs/dbraw/zinc/34/60/77/396346077.db2.gz KZHBHJDTNWCUFC-GFCCVEGCSA-N 0 0 318.782 0.341 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCN(CCO)CC2)ccc1C ZINC000186291481 396347075 /nfs/dbraw/zinc/34/70/75/396347075.db2.gz NQGUKRSNPJWZMS-UHFFFAOYSA-N 0 0 319.405 0.632 10 0 DCAERN C[C@H]1CN(c2cc(N3CCSCC3)ncn2)CC(=O)N1C ZINC000283487284 396341008 /nfs/dbraw/zinc/34/10/08/396341008.db2.gz KTBJVOILJPUXLA-NSHDSACASA-N 0 0 307.423 0.697 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186095320 396341226 /nfs/dbraw/zinc/34/12/26/396341226.db2.gz GRWYWFQALHHMBH-QGZVFWFLSA-N 0 0 318.373 0.743 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186099091 396341380 /nfs/dbraw/zinc/34/13/80/396341380.db2.gz FTVFMZKLJLZPBE-ZDUSSCGKSA-N 0 0 313.423 0.346 10 0 DCAERN CCc1cc(N2CCC[C@@H](NC(=O)CC(=O)NC)C2)ncn1 ZINC000186116916 396341859 /nfs/dbraw/zinc/34/18/59/396341859.db2.gz KTIRCNGWGBQNHO-GFCCVEGCSA-N 0 0 305.382 0.260 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565683 396352577 /nfs/dbraw/zinc/35/25/77/396352577.db2.gz GURXGARRYZUZIP-RDJZCZTQSA-N 0 0 321.421 0.914 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000186607177 396353413 /nfs/dbraw/zinc/35/34/13/396353413.db2.gz VPUKEPABRGNLIO-QLFBSQMISA-N 0 0 323.437 0.328 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000285815995 396355410 /nfs/dbraw/zinc/35/54/10/396355410.db2.gz ZMKSFIBGOJVABS-CABZTGNLSA-N 0 0 323.422 0.289 10 0 DCAERN COCC1=CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000186762283 396357846 /nfs/dbraw/zinc/35/78/46/396357846.db2.gz JPDGHIJWAJNUTP-TXEJJXNPSA-N 0 0 304.412 0.619 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cnc(OCC2CC2)cn1 ZINC000286100996 396374470 /nfs/dbraw/zinc/37/44/70/396374470.db2.gz MOPUYLOPRXZPMI-LLVKDONJSA-N 0 0 316.361 0.759 10 0 DCAERN CC(C)N1CC[C@H](N2CCO[C@](C)(c3cnn(C)c3)C2)C1=O ZINC000268488066 396359967 /nfs/dbraw/zinc/35/99/67/396359967.db2.gz PHDKYLOCBJDODT-HOCLYGCPSA-N 0 0 306.410 0.977 10 0 DCAERN COc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)ncn1 ZINC000285897324 396360452 /nfs/dbraw/zinc/36/04/52/396360452.db2.gz JNYWSVSETNEDNP-GHMZBOCLSA-N 0 0 307.354 0.422 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)[C@H](CO)CC(C)C ZINC000187120792 396363800 /nfs/dbraw/zinc/36/38/00/396363800.db2.gz XCSCTQMDAUSRST-LBPRGKRZSA-N 0 0 320.393 0.739 10 0 DCAERN C[C@@H]1CN(C(=O)CCCCN2CCOCC2)CCN1CCO ZINC000187270324 396366815 /nfs/dbraw/zinc/36/68/15/396366815.db2.gz FTSNBLWQXQLDOX-OAHLLOKOSA-N 0 0 313.442 0.014 10 0 DCAERN CC(C)(CO)CCCNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187322206 396367541 /nfs/dbraw/zinc/36/75/41/396367541.db2.gz UULXQXUHZFZXJG-OAHLLOKOSA-N 0 0 300.399 0.986 10 0 DCAERN COCCn1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)n1 ZINC000187850147 396375216 /nfs/dbraw/zinc/37/52/16/396375216.db2.gz YXAZLXYKKYJNCX-LLVKDONJSA-N 0 0 304.354 0.694 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1)C1CC1 ZINC000187607151 396371818 /nfs/dbraw/zinc/37/18/18/396371818.db2.gz ZIHWVSJZLJQFDG-LLVKDONJSA-N 0 0 303.366 0.187 10 0 DCAERN C[C@H]1OCCN(C(=O)c2coc(Br)c2)[C@@H]1C(N)=O ZINC000285371642 396349201 /nfs/dbraw/zinc/34/92/01/396349201.db2.gz OCORZZRLPOLZDA-MUWHJKNJSA-N 0 0 317.139 0.757 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CCOCC(F)F)CCO2)[nH]1 ZINC000188399949 396381815 /nfs/dbraw/zinc/38/18/15/396381815.db2.gz ZHIDFJMTDUANQG-VIFPVBQESA-N 0 0 318.324 0.939 10 0 DCAERN C[C@]1(O)CCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000188347565 396381860 /nfs/dbraw/zinc/38/18/60/396381860.db2.gz YQIOBRLPADLXKM-HNNXBMFYSA-N 0 0 301.350 0.934 10 0 DCAERN O=C(c1cn2ccnc2s1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000188457098 396382641 /nfs/dbraw/zinc/38/26/41/396382641.db2.gz GUEAIMSWDDCXRO-QMMMGPOBSA-N 0 0 304.331 0.416 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CCN1CCO ZINC000188820332 396387128 /nfs/dbraw/zinc/38/71/28/396387128.db2.gz SMAKVNNHVLONAI-TZMCWYRMSA-N 0 0 317.389 0.637 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000188887833 396387671 /nfs/dbraw/zinc/38/76/71/396387671.db2.gz CIKAIVWOUCDOGE-GFCCVEGCSA-N 0 0 308.382 0.847 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000188873654 396387930 /nfs/dbraw/zinc/38/79/30/396387930.db2.gz BDTKKJYTTADEQF-LLVKDONJSA-N 0 0 303.362 0.739 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000188932194 396388588 /nfs/dbraw/zinc/38/85/88/396388588.db2.gz CBYWZDGBRFTRSY-SNVBAGLBSA-N 0 0 319.390 0.739 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CCCNC(=O)[C@H]2C)CC1=O ZINC000188907256 396388659 /nfs/dbraw/zinc/38/86/59/396388659.db2.gz MQVKBKRKNYZZPF-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN COc1cc(C)cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1O ZINC000286374900 396391266 /nfs/dbraw/zinc/39/12/66/396391266.db2.gz PZACTRHFUCYHOE-NEPJUHHUSA-N 0 0 319.361 0.947 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189496174 396395730 /nfs/dbraw/zinc/39/57/30/396395730.db2.gz VRKSTZZWIZVMPV-UHFFFAOYSA-N 0 0 322.386 0.441 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189447679 396396071 /nfs/dbraw/zinc/39/60/71/396396071.db2.gz ITBWGAKXEMWFJF-LBPRGKRZSA-N 0 0 313.427 0.378 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CCCN(C)C(=O)C2)c1C ZINC000189776175 396398990 /nfs/dbraw/zinc/39/89/90/396398990.db2.gz VOTNTKPDXHBALF-UHFFFAOYSA-N 0 0 311.407 0.607 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189776852 396399001 /nfs/dbraw/zinc/39/90/01/396399001.db2.gz DNUZPMXSWXFPDK-UONOGXRCSA-N 0 0 323.437 0.962 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@@H](C)C(=O)N(C)C)n1 ZINC000189808455 396399321 /nfs/dbraw/zinc/39/93/21/396399321.db2.gz CBMSHSTZLPZKNP-JTQLQIEISA-N 0 0 311.386 0.902 10 0 DCAERN COCCn1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000190211159 396403005 /nfs/dbraw/zinc/40/30/05/396403005.db2.gz UEHLELXVFCNXHX-GJZGRUSLSA-N 0 0 301.346 0.918 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000190216402 396403507 /nfs/dbraw/zinc/40/35/07/396403507.db2.gz IGZHXEIXTCSCBG-OCCSQVGLSA-N 0 0 318.439 0.290 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCN(c3ncccn3)CC2)[C@@H]1CO ZINC000190244860 396403573 /nfs/dbraw/zinc/40/35/73/396403573.db2.gz IRBXIXWZWJZHTQ-GXTWGEPZSA-N 0 0 319.409 0.858 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000190276640 396404389 /nfs/dbraw/zinc/40/43/89/396404389.db2.gz CFEWSGDCQVBZEM-UHFFFAOYSA-N 0 0 324.425 0.555 10 0 DCAERN CC(=O)NC1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1 ZINC000190475491 396406626 /nfs/dbraw/zinc/40/66/26/396406626.db2.gz UTFCXWZNCRCDAX-UHFFFAOYSA-N 0 0 322.409 0.261 10 0 DCAERN CCN1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1=O ZINC000190552352 396407514 /nfs/dbraw/zinc/40/75/14/396407514.db2.gz UDDGWDHQBPCYKH-CQSZACIVSA-N 0 0 315.373 0.939 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000190539139 396407538 /nfs/dbraw/zinc/40/75/38/396407538.db2.gz JUMFLWVLVAHBEZ-WCQYABFASA-N 0 0 316.423 0.438 10 0 DCAERN CCN1CN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1=O ZINC000190538569 396407973 /nfs/dbraw/zinc/40/79/73/396407973.db2.gz ZYZZXIQCUGVKFH-LBPRGKRZSA-N 0 0 304.346 0.895 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190669657 396409534 /nfs/dbraw/zinc/40/95/34/396409534.db2.gz UKWDZOXWPLCUDL-SECBINFHSA-N 0 0 308.338 0.221 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190669639 396409656 /nfs/dbraw/zinc/40/96/56/396409656.db2.gz UKWDZOXWPLCUDL-VIFPVBQESA-N 0 0 308.338 0.221 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190680441 396410619 /nfs/dbraw/zinc/41/06/19/396410619.db2.gz ZIGWNWITZZRKMX-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN COCCN1CCCN(CCCS(=O)(=O)C(C)C)CC1=O ZINC000190767703 396411084 /nfs/dbraw/zinc/41/10/84/396411084.db2.gz ZSDMQISASZZNHE-UHFFFAOYSA-N 0 0 320.455 0.380 10 0 DCAERN COCCN1CCCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1=O ZINC000190807400 396411798 /nfs/dbraw/zinc/41/17/98/396411798.db2.gz SLSGHWAPFBOUJH-OAHLLOKOSA-N 0 0 323.368 0.533 10 0 DCAERN CCN1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000190838980 396411949 /nfs/dbraw/zinc/41/19/49/396411949.db2.gz DPDZTMRRZLZVMH-UHFFFAOYSA-N 0 0 314.345 0.618 10 0 DCAERN CN1CCCN(CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000191092905 396415298 /nfs/dbraw/zinc/41/52/98/396415298.db2.gz LYGURUBVKQBSMQ-UHFFFAOYSA-N 0 0 301.346 0.447 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](O)CN1CCCC1=O ZINC000191204528 396416953 /nfs/dbraw/zinc/41/69/53/396416953.db2.gz JFMMUPUKQKJGQU-BHPKHCPMSA-N 0 0 310.394 0.243 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCN1CCOC(C)(C)C1 ZINC000191452751 396419639 /nfs/dbraw/zinc/41/96/39/396419639.db2.gz KPOJDXDXMMLIQV-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN CCN1CN(C[C@H](O)COCc2ccccc2OC)CC1=O ZINC000191549332 396421522 /nfs/dbraw/zinc/42/15/22/396421522.db2.gz YZCAISDSKATIAK-AWEZNQCLSA-N 0 0 308.378 0.694 10 0 DCAERN CCN1CN(CC(=O)N(C)CCOc2ccccc2F)CC1=O ZINC000191569489 396422203 /nfs/dbraw/zinc/42/22/03/396422203.db2.gz RCRUFAFBGYTMIU-UHFFFAOYSA-N 0 0 323.368 0.785 10 0 DCAERN CC(=O)c1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1C ZINC000193155517 396445339 /nfs/dbraw/zinc/44/53/39/396445339.db2.gz QLLIQDOCJBUGTA-UHFFFAOYSA-N 0 0 315.329 0.847 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000191760401 396424573 /nfs/dbraw/zinc/42/45/73/396424573.db2.gz ZGXPDKOCBYQJCR-SMDDNHRTSA-N 0 0 301.346 0.917 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)c1 ZINC000192008020 396427504 /nfs/dbraw/zinc/42/75/04/396427504.db2.gz UNLJIPIRHRVKKP-LBPRGKRZSA-N 0 0 314.411 0.410 10 0 DCAERN C[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000192437384 396431401 /nfs/dbraw/zinc/43/14/01/396431401.db2.gz MCSWZUSZBDTFTI-YNEHKIRRSA-N 0 0 322.409 0.875 10 0 DCAERN CCn1cc([C@H]2CN(CCN3CCO[C@H](C)C3)CCO2)cn1 ZINC000192846320 396438797 /nfs/dbraw/zinc/43/87/97/396438797.db2.gz ZZCKTWFGENZTNC-GDBMZVCRSA-N 0 0 308.426 0.997 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@H](C)OC ZINC000192929426 396440804 /nfs/dbraw/zinc/44/08/04/396440804.db2.gz GLHZFJQJLRBUJS-UWVGGRQHSA-N 0 0 302.400 0.630 10 0 DCAERN COC(=O)C1(CNC(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000187894592 396375848 /nfs/dbraw/zinc/37/58/48/396375848.db2.gz RZLOVMUVXVVCLO-UHFFFAOYSA-N 0 0 315.329 0.466 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CCCN2c2nccs2)CC1=O ZINC000188165919 396379899 /nfs/dbraw/zinc/37/98/99/396379899.db2.gz ZCAJJWJMQLHVOF-LLVKDONJSA-N 0 0 308.407 0.803 10 0 DCAERN Cn1nc2c(cc1=O)CN(C(=O)NC[C@@H]1CCC(C)(C)O1)CC2 ZINC000188212152 396380531 /nfs/dbraw/zinc/38/05/31/396380531.db2.gz FSQLHKBQKXNDGP-LBPRGKRZSA-N 0 0 320.393 0.806 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1C[C@]12CCOC2 ZINC000372256862 396500298 /nfs/dbraw/zinc/50/02/98/396500298.db2.gz YMFZOPLESQPRSI-YOEHRIQHSA-N 0 0 317.389 0.961 10 0 DCAERN NC(=O)COCCNC(=O)c1ncsc1Br ZINC000516192141 396511833 /nfs/dbraw/zinc/51/18/33/396511833.db2.gz SZKXDYXSWUVSSD-UHFFFAOYSA-N 0 0 308.157 0.137 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N1CCC[C@@H]1CO ZINC000193323128 396448746 /nfs/dbraw/zinc/44/87/46/396448746.db2.gz FCQRKUWEGDYIHB-SECBINFHSA-N 0 0 309.391 0.944 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000193478775 396452058 /nfs/dbraw/zinc/45/20/58/396452058.db2.gz SUNLTGCYCDGEBQ-JSGCOSHPSA-N 0 0 315.304 0.934 10 0 DCAERN O=C(NCCOCC1CCC1)NCCN1CCCS1(=O)=O ZINC000516360833 396514023 /nfs/dbraw/zinc/51/40/23/396514023.db2.gz ILYXBVUYHPXVFV-UHFFFAOYSA-N 0 0 319.427 0.138 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CC(n2ccnn2)C1 ZINC000371673200 396473976 /nfs/dbraw/zinc/47/39/76/396473976.db2.gz XSXBDJKPKFQNJR-UHFFFAOYSA-N 0 0 321.287 0.370 10 0 DCAERN CN(C)[C@@H](C(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000371868548 396479054 /nfs/dbraw/zinc/47/90/54/396479054.db2.gz BAIQNDLSLKTOPJ-JKSUJKDBSA-N 0 0 303.406 0.832 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371871192 396479442 /nfs/dbraw/zinc/47/94/42/396479442.db2.gz YHJVXOJHZYAQQL-CYBMUJFWSA-N 0 0 321.352 0.941 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371869964 396479450 /nfs/dbraw/zinc/47/94/50/396479450.db2.gz LXTQKRCYPJMBLF-OAHLLOKOSA-N 0 0 303.362 0.802 10 0 DCAERN CC(C)OC(=O)CCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000373319938 396583747 /nfs/dbraw/zinc/58/37/47/396583747.db2.gz SAVYMGXETQBLQD-CYBMUJFWSA-N 0 0 313.398 0.444 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000594799173 396517095 /nfs/dbraw/zinc/51/70/95/396517095.db2.gz PRAAVXUMDGUPOC-ZDUSSCGKSA-N 0 0 305.396 0.770 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(C2CC2)n1 ZINC000291898962 396518509 /nfs/dbraw/zinc/51/85/09/396518509.db2.gz MIBMDEKJEDIALK-KBPBESRZSA-N 0 0 304.394 0.843 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(C2CC2)n1 ZINC000291898968 396518859 /nfs/dbraw/zinc/51/88/59/396518859.db2.gz MIBMDEKJEDIALK-UONOGXRCSA-N 0 0 304.394 0.843 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc2c(c1)OCCO2 ZINC000372557606 396527740 /nfs/dbraw/zinc/52/77/40/396527740.db2.gz NVKLAOXRKWRGEM-SWLSCSKDSA-N 0 0 307.346 0.956 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594856256 396528581 /nfs/dbraw/zinc/52/85/81/396528581.db2.gz KUYQNCUONKWACB-NSHDSACASA-N 0 0 310.391 0.798 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000292414208 396548978 /nfs/dbraw/zinc/54/89/78/396548978.db2.gz JUKVMMKYNQTESQ-LBPRGKRZSA-N 0 0 318.420 0.366 10 0 DCAERN Cc1nccnc1N1CCN(C(=O)COC[C@H]2CCOC2)CC1 ZINC000373000835 396559226 /nfs/dbraw/zinc/55/92/26/396559226.db2.gz IJNLQFAXUUIERA-AWEZNQCLSA-N 0 0 320.393 0.487 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581583744 396566870 /nfs/dbraw/zinc/56/68/70/396566870.db2.gz SKBDLNCQWDRRAO-IUCAKERBSA-N 0 0 309.288 0.928 10 0 DCAERN CC[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)C(C)(C)O ZINC000293928575 396642720 /nfs/dbraw/zinc/64/27/20/396642720.db2.gz HQKUQNRYAGUNJE-CYBMUJFWSA-N 0 0 320.393 0.297 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N=c2cc(C)[nH]cc2C)cn1C ZINC000533468413 396603157 /nfs/dbraw/zinc/60/31/57/396603157.db2.gz ZWFDMPURNKPGAF-UHFFFAOYSA-N 0 0 322.390 0.619 10 0 DCAERN Cc1nc(CNC(=O)CN2CCOCC2=O)nc2ccccc12 ZINC000562297688 396656088 /nfs/dbraw/zinc/65/60/88/396656088.db2.gz JEHPPXHNMFVJRL-UHFFFAOYSA-N 0 0 314.345 0.413 10 0 DCAERN CC1(C)CN(C(=O)CN2CSCC2=O)C[C@]2(CCOC2)O1 ZINC000373708697 396608840 /nfs/dbraw/zinc/60/88/40/396608840.db2.gz WIVNIIIOVSANIS-AWEZNQCLSA-N 0 0 314.407 0.316 10 0 DCAERN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[C@@H]1CCC(=O)N1 ZINC000536950395 396609782 /nfs/dbraw/zinc/60/97/82/396609782.db2.gz OQPFSZHPHSMEDV-RYUDHWBXSA-N 0 0 311.407 0.681 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(Cc1nc(N)nc(N)n1)CC2 ZINC000374334964 396656594 /nfs/dbraw/zinc/65/65/94/396656594.db2.gz YHCHSAPFMVRWHI-UHFFFAOYSA-N 0 0 312.377 0.500 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N2CCCCC2=O)C1 ZINC000373833500 396617224 /nfs/dbraw/zinc/61/72/24/396617224.db2.gz UXWWVDZVGIWGHM-MLGOLLRUSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000560606756 396621350 /nfs/dbraw/zinc/62/13/50/396621350.db2.gz TXCSROAUVJOEIG-NEPJUHHUSA-N 0 0 306.370 0.307 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)CN2CCOCC2=O)C1 ZINC000374101342 396638893 /nfs/dbraw/zinc/63/88/93/396638893.db2.gz YFTDYSNPPRMLIQ-KBXIAJHMSA-N 0 0 324.421 0.633 10 0 DCAERN CCOC(=O)C1(C(=O)Nc2nncn2C2CC2)CCOCC1 ZINC000586827560 396667612 /nfs/dbraw/zinc/66/76/12/396667612.db2.gz SYPNIIYTLXMLBO-UHFFFAOYSA-N 0 0 308.338 0.911 10 0 DCAERN O[C@H](CN1CCOCC1)CN1CCOc2cccc(F)c2C1 ZINC000374505046 396668995 /nfs/dbraw/zinc/66/89/95/396668995.db2.gz MUTCDOUMNJSKLF-CYBMUJFWSA-N 0 0 310.369 0.713 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H](c3nnc[nH]3)C2)C[C@H](C)O1 ZINC000374545946 396671416 /nfs/dbraw/zinc/67/14/16/396671416.db2.gz OPCCYCRXHIAFNB-XQQFMLRXSA-N 0 0 307.398 0.620 10 0 DCAERN CC1(C)C(=O)Nc2cc(C(=O)N3C[C@@H](O)C[C@H]3CO)ccc21 ZINC000294435828 396674249 /nfs/dbraw/zinc/67/42/49/396674249.db2.gz HDFZMBJUFXLWIT-QWRGUYRKSA-N 0 0 304.346 0.484 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374639665 396677969 /nfs/dbraw/zinc/67/79/69/396677969.db2.gz IJMSWVQQPQUNJQ-QWHCGFSZSA-N 0 0 320.455 0.730 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)[C@H](O)C(C)C)(C(=O)OC)C1(C)C ZINC000562858960 396684408 /nfs/dbraw/zinc/68/44/08/396684408.db2.gz ZQAWALMYCZQSGV-RWSFTLGLSA-N 0 0 301.383 0.866 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)c1ncsc1Br ZINC000563385349 396726505 /nfs/dbraw/zinc/72/65/05/396726505.db2.gz JAZYSEUMBAYTNW-UHFFFAOYSA-N 0 0 323.212 0.969 10 0 DCAERN O=C(CNCC(F)(F)F)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374752287 396684861 /nfs/dbraw/zinc/68/48/61/396684861.db2.gz PUENJSOYAUZALZ-JQWIXIFHSA-N 0 0 324.343 0.822 10 0 DCAERN O=C(NCC1CC1)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374760196 396685477 /nfs/dbraw/zinc/68/54/77/396685477.db2.gz PGZZQNLMPXWTLS-OLZOCXBDSA-N 0 0 310.394 0.197 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374928706 396698789 /nfs/dbraw/zinc/69/87/89/396698789.db2.gz OTNFMGKIUMIGBT-HNNXBMFYSA-N 0 0 323.437 0.616 10 0 DCAERN O=C(CSCc1ccccn1)N1CCN2CCOC[C@@H]2C1 ZINC000374971585 396701946 /nfs/dbraw/zinc/70/19/46/396701946.db2.gz SBQOWHXSIFLSKS-AWEZNQCLSA-N 0 0 307.419 0.858 10 0 DCAERN COc1ccnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739069 396713207 /nfs/dbraw/zinc/71/32/07/396713207.db2.gz KCBMVAXGUXNZKG-VIFPVBQESA-N 0 0 303.326 0.017 10 0 DCAERN CNC(=O)c1ccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)nn1 ZINC000301414664 396716437 /nfs/dbraw/zinc/71/64/37/396716437.db2.gz BAQOQCZJKDBXRS-SNVBAGLBSA-N 0 0 315.381 0.978 10 0 DCAERN c1cc(N2CCO[C@]3(CCOC3)C2)nn2c1nnc2C1CC1 ZINC000302216795 396717640 /nfs/dbraw/zinc/71/76/40/396717640.db2.gz JAGBGOKVGDVNTH-OAHLLOKOSA-N 0 0 301.350 0.997 10 0 DCAERN O=C(N1CCOC[C@H]1c1nc[nH]n1)C(F)(F)C1(O)CCC1 ZINC000375324958 396728290 /nfs/dbraw/zinc/72/82/90/396728290.db2.gz XDXHXDALRKEBKE-QMMMGPOBSA-N 0 0 302.281 0.255 10 0 DCAERN C[C@@H](O)c1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000375236009 396720292 /nfs/dbraw/zinc/72/02/92/396720292.db2.gz DGDBLYOCOLEQJG-CZUORRHYSA-N 0 0 319.405 0.966 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CC3(C2)CCCOC3)CCC1 ZINC000589702137 396723341 /nfs/dbraw/zinc/72/33/41/396723341.db2.gz WLQDCXJVWWCZQH-UHFFFAOYSA-N 0 0 317.407 0.772 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000375613364 396781016 /nfs/dbraw/zinc/78/10/16/396781016.db2.gz NTTMLZHLHWRREI-NXEZZACHSA-N 0 0 318.361 0.702 10 0 DCAERN Cc1nn(C[C@H](O)CN2CCOCC2)c(C)c1Br ZINC000305355437 396744264 /nfs/dbraw/zinc/74/42/64/396744264.db2.gz XLUVMTBGHQWZKW-LLVKDONJSA-N 0 0 318.215 0.956 10 0 DCAERN CCOCCNC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375431605 396744848 /nfs/dbraw/zinc/74/48/48/396744848.db2.gz QFZNUSMEAQOIAW-GFCCVEGCSA-N 0 0 308.382 0.889 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)C(=O)Cc1nc(C2CC2)nn1C ZINC000633918622 396746197 /nfs/dbraw/zinc/74/61/97/396746197.db2.gz QIDCPGZSAVBQRQ-GFCCVEGCSA-N 0 0 307.398 0.024 10 0 DCAERN COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC000610714490 396754051 /nfs/dbraw/zinc/75/40/51/396754051.db2.gz MBDVSTKBMMCGRG-HZSPNIEDSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1noc(CCNc2nc(C)c(S(N)(=O)=O)s2)n1 ZINC000311944871 396762058 /nfs/dbraw/zinc/76/20/58/396762058.db2.gz LFPNKAAAZWBVNZ-UHFFFAOYSA-N 0 0 303.369 0.445 10 0 DCAERN C[C@H]1C(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C(=O)N1C ZINC000629504435 396773843 /nfs/dbraw/zinc/77/38/43/396773843.db2.gz YDRJEDBSUNVTPX-JSGCOSHPSA-N 0 0 318.377 0.565 10 0 DCAERN NC(=O)c1noc([C@H]2CCCN2c2ncnc3n[nH]cc32)n1 ZINC000328625415 396825449 /nfs/dbraw/zinc/82/54/49/396825449.db2.gz KRXRJOPHELBFMN-SSDOTTSWSA-N 0 0 300.282 0.176 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)cc1 ZINC000611157775 396825697 /nfs/dbraw/zinc/82/56/97/396825697.db2.gz FCETWDHNTJQLKZ-ZDUSSCGKSA-N 0 0 313.375 0.865 10 0 DCAERN CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1c1nccn1C ZINC000328630286 396827323 /nfs/dbraw/zinc/82/73/23/396827323.db2.gz PSSGRWKATDEEQF-WFASDCNBSA-N 0 0 324.450 0.493 10 0 DCAERN COc1ncccc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000328645519 396828482 /nfs/dbraw/zinc/82/84/82/396828482.db2.gz ZTHPYXJVRAQQHB-GFCCVEGCSA-N 0 0 301.350 0.942 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@@H]1CCOC1=O ZINC000328656938 396831603 /nfs/dbraw/zinc/83/16/03/396831603.db2.gz ZVGIOFBHHQWLDF-MELADBBJSA-N 0 0 308.357 0.636 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000611206010 396833673 /nfs/dbraw/zinc/83/36/73/396833673.db2.gz HXPOMMTTYCLRAJ-LLVKDONJSA-N 0 0 319.361 0.802 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1onc2c1CCCC2 ZINC000617891704 396865804 /nfs/dbraw/zinc/86/58/04/396865804.db2.gz BBEADYNIJYPNDT-WDEREUQCSA-N 0 0 314.363 0.095 10 0 DCAERN COCCCS(=O)(=O)NCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000375728166 396806035 /nfs/dbraw/zinc/80/60/35/396806035.db2.gz YIENLSHEUXPMHO-CYBMUJFWSA-N 0 0 316.427 0.503 10 0 DCAERN c1cc(N2CCN([C@@H]3CCOC3)CC2)nc(N2CCOCC2)n1 ZINC000376295464 396906913 /nfs/dbraw/zinc/90/69/13/396906913.db2.gz HFUWCPGPWKWAAW-CQSZACIVSA-N 0 0 319.409 0.224 10 0 DCAERN CCCCNC(=O)CN1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000611659781 396904467 /nfs/dbraw/zinc/90/44/67/396904467.db2.gz GKEROMIDMZQGKT-OAHLLOKOSA-N 0 0 311.426 0.472 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333324189 304324022 /nfs/dbraw/zinc/32/40/22/304324022.db2.gz VALUNXDABXNTMY-RNJOBUHISA-N 0 0 301.408 0.573 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(F)ccn1 ZINC000630018652 396921759 /nfs/dbraw/zinc/92/17/59/396921759.db2.gz IFPACBDVTOBDON-UHFFFAOYSA-N 0 0 324.356 0.969 10 0 DCAERN CCc1ccccc1OCC(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000376511994 396939872 /nfs/dbraw/zinc/93/98/72/396939872.db2.gz FPOAAJJIWHJEBU-MRXNPFEDSA-N 0 0 317.345 0.438 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(F)cc1Cl ZINC000625598873 396943828 /nfs/dbraw/zinc/94/38/28/396943828.db2.gz VIHGYWCUWSMZDD-VHSXEESVSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)c(C)c1 ZINC000611934704 396951499 /nfs/dbraw/zinc/95/14/99/396951499.db2.gz CHHMWUGLKXCLFV-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN OC[C@@H]1CN(Cc2ccncc2Br)C[C@H]1CO ZINC000625706357 396982873 /nfs/dbraw/zinc/98/28/73/396982873.db2.gz COMBTAOPSDNOAQ-QWRGUYRKSA-N 0 0 301.184 0.877 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCO1 ZINC000618675046 397009417 /nfs/dbraw/zinc/00/94/17/397009417.db2.gz BBEGLJMMRDCYAD-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C)CCN1S(C)(=O)=O ZINC000618677147 397010196 /nfs/dbraw/zinc/01/01/96/397010196.db2.gz CYLLLJHCMUZGHU-GRYCIOLGSA-N 0 0 304.412 0.294 10 0 DCAERN Cc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C)s1 ZINC000618677583 397011737 /nfs/dbraw/zinc/01/17/37/397011737.db2.gz PQOKZBYFYUQOIS-MRVPVSSYSA-N 0 0 317.436 0.866 10 0 DCAERN C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)CCN1S(C)(=O)=O ZINC000618680752 397013130 /nfs/dbraw/zinc/01/31/30/397013130.db2.gz AKPXZLWAXBJESP-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000377048428 397021338 /nfs/dbraw/zinc/02/13/38/397021338.db2.gz SDMINHOHPJQKJH-MROQNXINSA-N 0 0 318.439 0.730 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(C)c1CC ZINC000618754417 397023151 /nfs/dbraw/zinc/02/31/51/397023151.db2.gz RCQLQJYURVJZNQ-UWVGGRQHSA-N 0 0 324.381 0.169 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000347610755 397032035 /nfs/dbraw/zinc/03/20/35/397032035.db2.gz FJHQZBVYWOFTCD-IGQOVBAYSA-N 0 0 322.405 0.698 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCCN1C ZINC000618882923 397035910 /nfs/dbraw/zinc/03/59/10/397035910.db2.gz IZRYFUUKLPCHHG-GRYCIOLGSA-N 0 0 313.398 0.043 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)nn1 ZINC000619269302 397109764 /nfs/dbraw/zinc/10/97/64/397109764.db2.gz JMPWWOKTLAAAOM-RDDDGLTNSA-N 0 0 320.271 0.659 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000377599024 397109851 /nfs/dbraw/zinc/10/98/51/397109851.db2.gz CZUGNRADIXQCMM-CYBMUJFWSA-N 0 0 318.373 0.843 10 0 DCAERN CC1(C)[C@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C[C@@H]1O ZINC000573103383 397135115 /nfs/dbraw/zinc/13/51/15/397135115.db2.gz BUIOVAVANXBCCV-MNOVXSKESA-N 0 0 302.334 0.548 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC000626420520 397158609 /nfs/dbraw/zinc/15/86/09/397158609.db2.gz HYJBDLNHZXLKNB-SWLSCSKDSA-N 0 0 316.357 0.720 10 0 DCAERN c1nc2nc(=NCCN3CCOCC3)cc(-c3ccccc3)n2[nH]1 ZINC000631033256 397158823 /nfs/dbraw/zinc/15/88/23/397158823.db2.gz YLYZVJQCMJJYAB-UHFFFAOYSA-N 0 0 324.388 0.957 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598159724 397181725 /nfs/dbraw/zinc/18/17/25/397181725.db2.gz PKQRMLRTQZNDBM-AWEZNQCLSA-N 0 0 300.355 0.082 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000364341776 397187103 /nfs/dbraw/zinc/18/71/03/397187103.db2.gz TVDFWDQIRFABGA-OAHLLOKOSA-N 0 0 304.390 0.353 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@@H]2CCN(CC)C2=O)CC1 ZINC000619803554 397196358 /nfs/dbraw/zinc/19/63/58/397196358.db2.gz LYWHJLAIUGONPP-GFCCVEGCSA-N 0 0 311.382 0.592 10 0 DCAERN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NCC1(C)COC1 ZINC000573710593 397198354 /nfs/dbraw/zinc/19/83/54/397198354.db2.gz MVJBESVABFNKHH-STQMWFEESA-N 0 0 309.410 0.224 10 0 DCAERN COCc1cncc(C(=O)N[C@](C)(COC)CC(=O)OC)c1 ZINC000613185498 397212712 /nfs/dbraw/zinc/21/27/12/397212712.db2.gz ONNQTJXQZUOSPO-HNNXBMFYSA-N 0 0 310.350 0.926 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nc1 ZINC000381173424 397271589 /nfs/dbraw/zinc/27/15/89/397271589.db2.gz OOQLGMFYMGTNNW-JTQLQIEISA-N 0 0 310.297 0.989 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cnc(Cl)cn1 ZINC000365503571 397288280 /nfs/dbraw/zinc/28/82/80/397288280.db2.gz HHVPCENFFVQPLE-SNVBAGLBSA-N 0 0 324.768 0.640 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)[C@H](C)O ZINC000386957792 397292151 /nfs/dbraw/zinc/29/21/51/397292151.db2.gz YOMBNZPVOTZVSK-JOYOIKCWSA-N 0 0 300.380 0.484 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCCC23CCC3)C1 ZINC000365794179 397317353 /nfs/dbraw/zinc/31/73/53/397317353.db2.gz TVQPDSYWEQZQRV-LBPRGKRZSA-N 0 0 315.439 0.996 10 0 DCAERN O=C(c1nc2cccnc2s1)N1CCN2CCOC[C@@H]2C1 ZINC000365737250 397309233 /nfs/dbraw/zinc/30/92/33/397309233.db2.gz WVQDKCFOILVEMA-JTQLQIEISA-N 0 0 304.375 0.848 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378545157 397255172 /nfs/dbraw/zinc/25/51/72/397255172.db2.gz DRPGTGLNOVJNAY-GFCCVEGCSA-N 0 0 305.382 0.700 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000399193480 397314654 /nfs/dbraw/zinc/31/46/54/397314654.db2.gz KHMMANYGVWSAKZ-GRYCIOLGSA-N 0 0 304.412 0.030 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378546306 397255343 /nfs/dbraw/zinc/25/53/43/397255343.db2.gz GOJXOMHDJYSVSU-OLZOCXBDSA-N 0 0 319.409 0.946 10 0 DCAERN O=C(CCNC(=O)OCC(F)(F)F)N1CC(n2ccnn2)C1 ZINC000378552422 397255597 /nfs/dbraw/zinc/25/55/97/397255597.db2.gz RZRXTNDLQRRDNY-UHFFFAOYSA-N 0 0 321.259 0.340 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CN1CCN(C2CC2)C1=O ZINC000613413679 397256343 /nfs/dbraw/zinc/25/63/43/397256343.db2.gz OYGKJWKARWASEI-CYBMUJFWSA-N 0 0 309.366 0.093 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000574332960 397257147 /nfs/dbraw/zinc/25/71/47/397257147.db2.gz GESHNJFHERULOC-MCIONIFRSA-N 0 0 300.447 0.593 10 0 DCAERN O=C([C@H]1CCC(=O)c2cccn21)N1CCN2CCOC[C@@H]2C1 ZINC000577452073 397331912 /nfs/dbraw/zinc/33/19/12/397331912.db2.gz KSCGYYJBNFLUFL-GXTWGEPZSA-N 0 0 303.362 0.549 10 0 DCAERN COc1cccc2c1CCN(C(=O)CN1CCOCC1=O)CC2 ZINC000365917597 397334272 /nfs/dbraw/zinc/33/42/72/397334272.db2.gz AXERQERDHGATRH-UHFFFAOYSA-N 0 0 318.373 0.481 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000407968406 397340886 /nfs/dbraw/zinc/34/08/86/397340886.db2.gz SWIKVINXZZTHNW-JSGCOSHPSA-N 0 0 312.414 0.017 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000366136596 397342013 /nfs/dbraw/zinc/34/20/13/397342013.db2.gz DDERQGVBYFVENB-UHFFFAOYSA-N 0 0 323.827 0.950 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408041518 397345040 /nfs/dbraw/zinc/34/50/40/397345040.db2.gz HIEQGDFHJIPOKL-YIZRAAEISA-N 0 0 308.304 0.151 10 0 DCAERN O=C1CN(C[C@@H]2CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC000408075354 397346132 /nfs/dbraw/zinc/34/61/32/397346132.db2.gz XXHDDUPWSLAEDY-VIFPVBQESA-N 0 0 314.329 0.128 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408210449 397350087 /nfs/dbraw/zinc/35/00/87/397350087.db2.gz HPKMEEQAJMLTMC-RYUDHWBXSA-N 0 0 320.455 0.523 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000408212926 397350641 /nfs/dbraw/zinc/35/06/41/397350641.db2.gz ARAMDKZIKZYGEI-KZULUSFZSA-N 0 0 310.485 0.358 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)N(C(C)=O)C1 ZINC000408275406 397351800 /nfs/dbraw/zinc/35/18/00/397351800.db2.gz YZHOWYRODCYPRZ-VLXAULBPSA-N 0 0 312.410 0.942 10 0 DCAERN C[C@H]1CC[S@@](=O)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408397799 397355543 /nfs/dbraw/zinc/35/55/43/397355543.db2.gz ZIKQFGZTPTZJJK-WVDJIFEKSA-N 0 0 301.412 0.160 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593100557 397326631 /nfs/dbraw/zinc/32/66/31/397326631.db2.gz LCKGSTMBKZVVHE-NAYXTTFHSA-N 0 0 323.414 0.834 10 0 DCAERN Cn1nc([C@@H]2CCCN2C(=O)[C@@H](CO)c2ccccc2)nc1N ZINC000614427401 397436007 /nfs/dbraw/zinc/43/60/07/397436007.db2.gz RAAKYJIPIYDBBT-STQMWFEESA-N 0 0 315.377 0.667 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)Nc1ccc2nccn2c1 ZINC000614175909 397392570 /nfs/dbraw/zinc/39/25/70/397392570.db2.gz OGIWISHZAYHPMB-AWEZNQCLSA-N 0 0 306.322 0.770 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCO[C@](C)(C(F)F)C2)C1 ZINC000621526502 397393847 /nfs/dbraw/zinc/39/38/47/397393847.db2.gz UGCCHCJZWMWHJK-MFKMUULPSA-N 0 0 305.325 0.673 10 0 DCAERN CC(=O)c1cc(CN2CCN(CCC(=O)N(C)C)CC2)on1 ZINC000578202323 397404954 /nfs/dbraw/zinc/40/49/54/397404954.db2.gz DSYZCOZGABLHNK-UHFFFAOYSA-N 0 0 308.382 0.473 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)n1C ZINC000487125261 397466971 /nfs/dbraw/zinc/46/69/71/397466971.db2.gz SNNYPQPIHOPYMT-MNOVXSKESA-N 0 0 309.366 0.520 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H]1CCCO1 ZINC000488310202 397488685 /nfs/dbraw/zinc/48/86/85/397488685.db2.gz GNGLAVKHNFWLRJ-SDDRHHMPSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ncccc1CC ZINC000488268481 397488216 /nfs/dbraw/zinc/48/82/16/397488216.db2.gz XCEZORRCOQQBGQ-WDEREUQCSA-N 0 0 321.377 0.830 10 0 DCAERN C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C(=O)N1CCCC[C@@H]1C ZINC000370527418 397497437 /nfs/dbraw/zinc/49/74/37/397497437.db2.gz IWTIEQCNKCTUOW-MQIPJXDCSA-N 0 0 309.410 0.808 10 0 DCAERN CC1CCN(C(=O)C(=O)NCc2nnc(C3CCC3)n2C)CC1 ZINC000579303788 397549119 /nfs/dbraw/zinc/54/91/19/397549119.db2.gz LCILYKQERWDADR-UHFFFAOYSA-N 0 0 319.409 0.957 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H]2C)C1 ZINC000371239919 397562549 /nfs/dbraw/zinc/56/25/49/397562549.db2.gz AIDZRGRGQNHVHM-UTUOFQBUSA-N 0 0 319.427 0.276 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000579905141 397597057 /nfs/dbraw/zinc/59/70/57/397597057.db2.gz YQDDCGZFDYGJTH-YWVKMMECSA-N 0 0 317.349 0.847 10 0 DCAERN COc1cccc(C[C@@H](O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000579911830 397597270 /nfs/dbraw/zinc/59/72/70/397597270.db2.gz VZOABJUELINQPN-GOEBONIOSA-N 0 0 320.389 0.142 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C(=O)c1cn2cccnc2n1)C1CC1 ZINC000603477440 397613426 /nfs/dbraw/zinc/61/34/26/397613426.db2.gz CKZMUDCLMCXRLF-SNVBAGLBSA-N 0 0 322.390 0.767 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cn[nH]c2)c1 ZINC000603916132 397627597 /nfs/dbraw/zinc/62/75/97/397627597.db2.gz XKMLRQWARGOFEQ-UHFFFAOYSA-N 0 0 308.363 0.590 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604578445 397644652 /nfs/dbraw/zinc/64/46/52/397644652.db2.gz XPUNUCCFVCOTRV-DTWKUNHWSA-N 0 0 315.370 0.928 10 0 DCAERN COC[C@@](C)(NC(=O)CCCN1C(=O)CCC1=O)C(F)(F)F ZINC000608225496 397721254 /nfs/dbraw/zinc/72/12/54/397721254.db2.gz YXPMNOXTUGKXLF-GFCCVEGCSA-N 0 0 324.299 0.999 10 0 DCAERN Cc1nnc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)o1 ZINC000606231869 397678375 /nfs/dbraw/zinc/67/83/75/397678375.db2.gz PNPCNIFYDAOAOS-CYBMUJFWSA-N 0 0 308.382 0.634 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000606444922 397681584 /nfs/dbraw/zinc/68/15/84/397681584.db2.gz FXYJIYNTPYRBLQ-XHBSWPGZSA-N 0 0 320.393 0.277 10 0 DCAERN Cn1nc(CC(=O)NCC2(O)CCC2)c2ccccc2c1=O ZINC000607037371 397694702 /nfs/dbraw/zinc/69/47/02/397694702.db2.gz FGQJYDOTXCLMJY-UHFFFAOYSA-N 0 0 301.346 0.507 10 0 DCAERN CNC(=O)c1cccnc1N1CCC(N2CCNC2=O)CC1 ZINC000608080507 397715682 /nfs/dbraw/zinc/71/56/82/397715682.db2.gz HXADUUGDWCOYMU-UHFFFAOYSA-N 0 0 303.366 0.435 10 0 DCAERN CCc1cnc(N2CCN(c3ccc(C(N)=O)nn3)CC2)s1 ZINC000608753452 397753262 /nfs/dbraw/zinc/75/32/62/397753262.db2.gz LUILVFUXOZWZQU-UHFFFAOYSA-N 0 0 318.406 0.921 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000608775287 397754494 /nfs/dbraw/zinc/75/44/94/397754494.db2.gz UDTUZWHEJJSHSH-CYBMUJFWSA-N 0 0 320.349 0.387 10 0 DCAERN CC(C)(CCO)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000608664346 397743364 /nfs/dbraw/zinc/74/33/64/397743364.db2.gz GMXIPSGTAAWSCO-UHFFFAOYSA-N 0 0 321.443 0.120 10 0 DCAERN Cc1noc(CCCNC(=O)N2CCC[C@@H](n3cncn3)C2)n1 ZINC000608666842 397744132 /nfs/dbraw/zinc/74/41/32/397744132.db2.gz DPLYIEGFGUSJDK-GFCCVEGCSA-N 0 0 319.369 0.949 10 0 DCAERN COC(=O)c1cn(CC(=O)NC[C@@H](C)c2ccncc2)nn1 ZINC000610526340 397829975 /nfs/dbraw/zinc/82/99/75/397829975.db2.gz KSNNUHJSSMSAJC-SNVBAGLBSA-N 0 0 303.322 0.380 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC)CC(F)F ZINC000248613775 285870455 /nfs/dbraw/zinc/87/04/55/285870455.db2.gz LNNQPHAHMQGLOS-VIFPVBQESA-N 0 0 314.354 0.846 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046496396 158001534 /nfs/dbraw/zinc/00/15/34/158001534.db2.gz FYCLGOUBFBPESA-VXGBXAGGSA-N 0 0 301.350 0.837 10 0 DCAERN CCc1nc(CS(=O)(=O)CC(=O)NC(C)(C)CC)no1 ZINC000049003427 158008505 /nfs/dbraw/zinc/00/85/05/158008505.db2.gz OJMPTIHEPJZDQF-UHFFFAOYSA-N 0 0 303.384 0.852 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2cscn2)c1 ZINC000050686039 158011589 /nfs/dbraw/zinc/01/15/89/158011589.db2.gz KGZUKKUWPITFEQ-UHFFFAOYSA-N 0 0 311.388 0.981 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000055140216 158021481 /nfs/dbraw/zinc/02/14/81/158021481.db2.gz YLVOQDXNWJVPQG-LBPRGKRZSA-N 0 0 321.402 0.240 10 0 DCAERN CCCS(=O)(=O)CC(=O)NCCCCN1CCOCC1 ZINC000055259949 158023197 /nfs/dbraw/zinc/02/31/97/158023197.db2.gz JHQFWACEEHDYDY-UHFFFAOYSA-N 0 0 306.428 0.040 10 0 DCAERN CCCCNC(=O)c1ccc(CNC(=O)CNC(N)=O)cc1 ZINC000060414029 158026295 /nfs/dbraw/zinc/02/62/95/158026295.db2.gz BUVBCFPXDMRXAJ-UHFFFAOYSA-N 0 0 306.366 0.501 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000058728041 158026661 /nfs/dbraw/zinc/02/66/61/158026661.db2.gz KJOBJINHSAJWQH-ZDUSSCGKSA-N 0 0 324.402 0.908 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N(C)CC(=O)NC(C)C)s1 ZINC000067030813 158038721 /nfs/dbraw/zinc/03/87/21/158038721.db2.gz NVIKHZIGWLWHIF-UHFFFAOYSA-N 0 0 311.407 0.981 10 0 DCAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000069930040 158046850 /nfs/dbraw/zinc/04/68/50/158046850.db2.gz VZTIDZHMIXYFMF-UONOGXRCSA-N 0 0 319.340 0.345 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CCO1 ZINC000072526208 158051330 /nfs/dbraw/zinc/05/13/30/158051330.db2.gz XKZKKPOWVSYUOD-UPJWGTAASA-N 0 0 321.381 0.263 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1CCC(c2nnc3ccccn32)CC1 ZINC000072753608 158052268 /nfs/dbraw/zinc/05/22/68/158052268.db2.gz SMZLVNSNJDKGKK-GFCCVEGCSA-N 0 0 313.361 0.714 10 0 DCAERN O=C([C@@H]1COCCO1)N1CCC(c2nnc3ccccn32)CC1 ZINC000073898378 158056657 /nfs/dbraw/zinc/05/66/57/158056657.db2.gz SRJDJVPQARRIPU-ZDUSSCGKSA-N 0 0 316.361 0.851 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000077161155 158067394 /nfs/dbraw/zinc/06/73/94/158067394.db2.gz QOYXXARHIAAIPF-UTUOFQBUSA-N 0 0 300.424 0.965 10 0 DCAERN O=C(Nc1cccnc1-n1cncn1)N1CCN(C2CC2)CC1 ZINC000077203069 158068113 /nfs/dbraw/zinc/06/81/13/158068113.db2.gz KGWHRUUSFMZENB-UHFFFAOYSA-N 0 0 313.365 0.974 10 0 DCAERN O=C(NCCn1ccnc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000080575227 158081044 /nfs/dbraw/zinc/08/10/44/158081044.db2.gz VFEAALAPBNRTNB-HNNXBMFYSA-N 0 0 321.425 0.779 10 0 DCAERN O=C(Cc1cccc(Cl)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856412 158089152 /nfs/dbraw/zinc/08/91/52/158089152.db2.gz ZVLCLAMACRLIDH-CQSZACIVSA-N 0 0 307.737 0.693 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCN1C(=O)CCC1=O ZINC000087562867 158093063 /nfs/dbraw/zinc/09/30/63/158093063.db2.gz YOBVQWHGCYQEFH-SNVBAGLBSA-N 0 0 319.365 0.331 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nnnc1C(C)C ZINC000088196822 158093171 /nfs/dbraw/zinc/09/31/71/158093171.db2.gz SBUURHHTGMMYID-SNVBAGLBSA-N 0 0 318.385 0.602 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088250605 158093381 /nfs/dbraw/zinc/09/33/81/158093381.db2.gz DQWFIDUHCSERSC-SNVBAGLBSA-N 0 0 309.316 0.938 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000129336472 286671599 /nfs/dbraw/zinc/67/15/99/286671599.db2.gz BYISFCKMMPYLCB-NSHDSACASA-N 0 0 300.384 0.023 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091042938 158105971 /nfs/dbraw/zinc/10/59/71/158105971.db2.gz GTFWETVSAWUULE-SNVBAGLBSA-N 0 0 303.318 0.542 10 0 DCAERN NC(=O)[C@H]1COCCN1CCC(=O)N1CCc2sccc2C1 ZINC000092229732 158112239 /nfs/dbraw/zinc/11/22/39/158112239.db2.gz WYMRZNMJHSIGCA-GFCCVEGCSA-N 0 0 323.418 0.209 10 0 DCAERN O=C(Nc1ccc2c(c1)COC2)C(=O)N1CCN(C2CC2)CC1 ZINC000092244409 158112606 /nfs/dbraw/zinc/11/26/06/158112606.db2.gz MRRHQZONWDJMBW-UHFFFAOYSA-N 0 0 315.373 0.962 10 0 DCAERN CCc1nn(C)cc1C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000092501215 158115681 /nfs/dbraw/zinc/11/56/81/158115681.db2.gz JVGUDSXFJIGOLV-LBPRGKRZSA-N 0 0 318.381 0.985 10 0 DCAERN Cn1cc([C@H]2NC(=O)[C@H]3COCCN32)c(-c2cccs2)n1 ZINC000093883021 158121026 /nfs/dbraw/zinc/12/10/26/158121026.db2.gz XHWTWIZKEVBGKZ-MFKMUULPSA-N 0 0 304.375 0.978 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000113367583 158146794 /nfs/dbraw/zinc/14/67/94/158146794.db2.gz KFJITRCSFGXMOX-OLZOCXBDSA-N 0 0 319.471 0.983 10 0 DCAERN COc1ccnc(N2CCN(c3ccnc(C(N)=O)c3)CC2)n1 ZINC000114185155 158151735 /nfs/dbraw/zinc/15/17/35/158151735.db2.gz XJUJWUUVFFSNNJ-UHFFFAOYSA-N 0 0 314.349 0.306 10 0 DCAERN CS(=O)(=O)CCCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471361 158154350 /nfs/dbraw/zinc/15/43/50/158154350.db2.gz FUBNNFQJSVWMOV-JTQLQIEISA-N 0 0 317.436 0.981 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cn1 ZINC000114841743 158157796 /nfs/dbraw/zinc/15/77/96/158157796.db2.gz QNCXHSYCBSVCOO-LLVKDONJSA-N 0 0 308.382 0.753 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CC2 ZINC000114869890 158158940 /nfs/dbraw/zinc/15/89/40/158158940.db2.gz FSJCSMASFYDILF-GHMZBOCLSA-N 0 0 305.382 0.140 10 0 DCAERN CCCCN(C)S(=O)(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114874480 158159001 /nfs/dbraw/zinc/15/90/01/158159001.db2.gz WJVGARFJPCVJLN-LLVKDONJSA-N 0 0 315.443 0.722 10 0 DCAERN CCOCCO[C@H](C)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114871156 158159289 /nfs/dbraw/zinc/15/92/89/158159289.db2.gz KKQCSFNWKYWWGT-NEPJUHHUSA-N 0 0 310.398 0.713 10 0 DCAERN COc1cccc(N2CC[C@@H](CNC(=O)C(=O)NC3CC3)C2)c1 ZINC000115357120 158161178 /nfs/dbraw/zinc/16/11/78/158161178.db2.gz DECQRJYRJXSLCI-LBPRGKRZSA-N 0 0 317.389 0.916 10 0 DCAERN CC[C@H]1CCCCN1C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892300 158168722 /nfs/dbraw/zinc/16/87/22/158168722.db2.gz VKUSAAXOKMRALP-STQMWFEESA-N 0 0 317.455 0.401 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000117923116 158174626 /nfs/dbraw/zinc/17/46/26/158174626.db2.gz SAYABQWCJTWRDP-GFCCVEGCSA-N 0 0 322.390 0.721 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc(C(N)=O)cs1 ZINC000118636551 158177279 /nfs/dbraw/zinc/17/72/79/158177279.db2.gz VIYPQKKOBUTQFK-VIFPVBQESA-N 0 0 310.379 0.828 10 0 DCAERN COCc1nn(Cc2nnc(-c3ccccc3)n2C)c(=O)o1 ZINC000118958930 158181720 /nfs/dbraw/zinc/18/17/20/158181720.db2.gz KCIQDOTUZIDQFY-UHFFFAOYSA-N 0 0 301.306 0.827 10 0 DCAERN O=C(Cc1ccoc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000119476797 158188117 /nfs/dbraw/zinc/18/81/17/158188117.db2.gz LQFMMTCOTMYZNX-AWEZNQCLSA-N 0 0 306.362 0.920 10 0 DCAERN O=C(c1cnsn1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120122190 158193227 /nfs/dbraw/zinc/19/32/27/158193227.db2.gz USCHZFOUEGFHTN-SECBINFHSA-N 0 0 316.408 0.178 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCN3C(C)=O)[C@H]2C1 ZINC000120296318 158196766 /nfs/dbraw/zinc/19/67/66/158196766.db2.gz KEJMXLDPPMKYJD-CBBWQLFWSA-N 0 0 310.394 0.792 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)C[C@H](C)O1 ZINC000121684187 158212908 /nfs/dbraw/zinc/21/29/08/158212908.db2.gz DXYCCYPTGSMQTP-TXEJJXNPSA-N 0 0 308.444 0.729 10 0 DCAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)CNC(N)=O)c1 ZINC000121677184 158212995 /nfs/dbraw/zinc/21/29/95/158212995.db2.gz LZGXTDLSMFFGRF-JTQLQIEISA-N 0 0 306.366 0.499 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000121737744 158213861 /nfs/dbraw/zinc/21/38/61/158213861.db2.gz XPIRXXYPXQJKGL-LLVKDONJSA-N 0 0 306.362 0.683 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)CC(C)(C)C)CCS1(=O)=O ZINC000122024967 158217278 /nfs/dbraw/zinc/21/72/78/158217278.db2.gz RWAAQIHYFUGZCO-JTQLQIEISA-N 0 0 304.412 0.184 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)O1 ZINC000122057642 158217522 /nfs/dbraw/zinc/21/75/22/158217522.db2.gz YHISQTMFESVQRP-GXFFZTMASA-N 0 0 312.391 0.560 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N[C@H]1CCc2ncnn2C1 ZINC000122032959 158217546 /nfs/dbraw/zinc/21/75/46/158217546.db2.gz OXSSYGNUCFWQLC-RYUDHWBXSA-N 0 0 309.370 0.088 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C(N)=O)cc1C ZINC000123362215 158229393 /nfs/dbraw/zinc/22/93/93/158229393.db2.gz NFEPXBMYNQFSEC-CYBMUJFWSA-N 0 0 303.362 0.510 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000123485801 158230119 /nfs/dbraw/zinc/23/01/19/158230119.db2.gz DLYLODYCEMXGCI-WPRPVWTQSA-N 0 0 310.379 0.597 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000123641103 158233242 /nfs/dbraw/zinc/23/32/42/158233242.db2.gz AICWCJVBJYTHGG-TZMCWYRMSA-N 0 0 317.455 0.416 10 0 DCAERN CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000124168500 158238855 /nfs/dbraw/zinc/23/88/55/158238855.db2.gz JZNLDDKUWLDPCN-LSDHHAIUSA-N 0 0 304.390 0.965 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@@H]2C1 ZINC000124350039 158241053 /nfs/dbraw/zinc/24/10/53/158241053.db2.gz NLCBFBZPHLFTJS-JHJVBQTASA-N 0 0 321.377 0.795 10 0 DCAERN C[C@@H](CNC(=O)NCCCN1CCCC1=O)N1CCOCC1 ZINC000125001662 158248953 /nfs/dbraw/zinc/24/89/53/158248953.db2.gz NPBSQDHHCPKNAT-ZDUSSCGKSA-N 0 0 312.414 0.019 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CCCCO3)CC2)no1 ZINC000125025620 158250216 /nfs/dbraw/zinc/25/02/16/158250216.db2.gz SRVRPMFGSQHBQS-ZDUSSCGKSA-N 0 0 308.382 0.981 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000125145288 158252438 /nfs/dbraw/zinc/25/24/38/158252438.db2.gz SAHNLKHFVOQJJT-JQWIXIFHSA-N 0 0 323.372 0.753 10 0 DCAERN C[C@@H](NC(=O)CN1CCN(C2CC2)CC1)C(=O)N1CCCCC1 ZINC000125835083 158258864 /nfs/dbraw/zinc/25/88/64/158258864.db2.gz NQSIZIVDCGJWDD-CQSZACIVSA-N 0 0 322.453 0.284 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccsc1)CC2 ZINC000125837255 158258953 /nfs/dbraw/zinc/25/89/53/158258953.db2.gz GQJMLUHRTIVJON-SECBINFHSA-N 0 0 319.390 0.972 10 0 DCAERN COC[C@H](O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000126596568 158266495 /nfs/dbraw/zinc/26/64/95/158266495.db2.gz JBVWAFKFOLQYOO-UKRRQHHQSA-N 0 0 313.442 0.059 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 ZINC000126729142 158268082 /nfs/dbraw/zinc/26/80/82/158268082.db2.gz KHVRTIHJFIKXTI-UPJWGTAASA-N 0 0 323.397 0.591 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000127407978 158272334 /nfs/dbraw/zinc/27/23/34/158272334.db2.gz UXYVMQHUKVNAQP-ZFWWWQNUSA-N 0 0 309.410 0.224 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000127879780 158276987 /nfs/dbraw/zinc/27/69/87/158276987.db2.gz LXWNAJAXTPRLQP-UHFFFAOYSA-N 0 0 307.398 0.520 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N1CCC[C@@H](n2cncn2)C1 ZINC000128077680 158278146 /nfs/dbraw/zinc/27/81/46/158278146.db2.gz VBAAXSGSYQEYNT-ZIAGYGMSSA-N 0 0 323.397 0.820 10 0 DCAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1COc2ccccc21 ZINC000128641425 158282750 /nfs/dbraw/zinc/28/27/50/158282750.db2.gz XXCKKEFNIZNCSG-ONGXEEELSA-N 0 0 315.333 0.058 10 0 DCAERN COCC(=O)N1CCN(Cc2cnc3cc(C)ccn23)CC1 ZINC000128686482 158282821 /nfs/dbraw/zinc/28/28/21/158282821.db2.gz XLOMIYFCGDLPTO-UHFFFAOYSA-N 0 0 302.378 0.933 10 0 DCAERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000129073746 158285205 /nfs/dbraw/zinc/28/52/05/158285205.db2.gz SMSFUAABEOXANE-ZDUSSCGKSA-N 0 0 324.425 0.607 10 0 DCAERN CN1CC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C1=O ZINC000132753981 158314211 /nfs/dbraw/zinc/31/42/11/158314211.db2.gz KGTWJBADITWFDW-SECBINFHSA-N 0 0 306.746 0.988 10 0 DCAERN Cn1cc(N2CCC[C@@H](Nc3cncc(OCCO)n3)C2)cn1 ZINC000132925762 158315651 /nfs/dbraw/zinc/31/56/51/158315651.db2.gz KIYOIGVZIKCPNJ-GFCCVEGCSA-N 0 0 318.381 0.662 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)CC(=O)NC)Cc1ccccc1 ZINC000133751315 158322402 /nfs/dbraw/zinc/32/24/02/158322402.db2.gz XQKFBFGEPPQFAS-CYBMUJFWSA-N 0 0 306.362 0.661 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)CCO1 ZINC000134190272 158324063 /nfs/dbraw/zinc/32/40/63/158324063.db2.gz NBWSXEPMHXKTMS-MRVPVSSYSA-N 0 0 318.255 0.082 10 0 DCAERN COCC(=O)N[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)C(C)C ZINC000134042155 158324467 /nfs/dbraw/zinc/32/44/67/158324467.db2.gz XSGVCJJAWQYROC-OBJOEFQTSA-N 0 0 300.399 0.441 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000134043851 158324514 /nfs/dbraw/zinc/32/45/14/158324514.db2.gz AHLJBRBGNALYNR-NEPJUHHUSA-N 0 0 319.409 0.701 10 0 DCAERN CC(C)[C@@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)C(N)=O ZINC000134488885 158327804 /nfs/dbraw/zinc/32/78/04/158327804.db2.gz VQAUUXJDSQNLPB-WCQYABFASA-N 0 0 318.377 0.922 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1=O ZINC000134770668 158331427 /nfs/dbraw/zinc/33/14/27/158331427.db2.gz TWGLERGJDPWYAW-TZMCWYRMSA-N 0 0 318.377 0.865 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000135098902 158334237 /nfs/dbraw/zinc/33/42/37/158334237.db2.gz XCHLAWDJMHDAAT-JOYOIKCWSA-N 0 0 323.315 0.706 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)nn1 ZINC000135335898 158335219 /nfs/dbraw/zinc/33/52/19/158335219.db2.gz KQHSFPMNKWAXDM-VIFPVBQESA-N 0 0 302.338 0.904 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000135259187 158335447 /nfs/dbraw/zinc/33/54/47/158335447.db2.gz YLRIWXXIUJQBEP-TZMCWYRMSA-N 0 0 304.346 0.818 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2O)cc1 ZINC000136004925 158341222 /nfs/dbraw/zinc/34/12/22/158341222.db2.gz HYOHKNCLVSWMST-STQMWFEESA-N 0 0 312.391 0.757 10 0 DCAERN CCOc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)ncn1 ZINC000136008291 158341270 /nfs/dbraw/zinc/34/12/70/158341270.db2.gz UMRXBXXQZTXLNP-ZDUSSCGKSA-N 0 0 320.393 0.951 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cncnc1OC)CC2 ZINC000135923366 158341273 /nfs/dbraw/zinc/34/12/73/158341273.db2.gz JYSBJNUFTVLIRD-SECBINFHSA-N 0 0 317.353 0.776 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)[C@@H](C)NC(N)=O)CC1 ZINC000138782481 158347528 /nfs/dbraw/zinc/34/75/28/158347528.db2.gz IUQWYPRDPWLUMH-LLVKDONJSA-N 0 0 320.393 0.837 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000154607018 158350816 /nfs/dbraw/zinc/35/08/16/158350816.db2.gz GKLMATCDPFRUHC-LLVKDONJSA-N 0 0 312.753 0.604 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2ccccc2)CCS1(=O)=O ZINC000155692808 158351023 /nfs/dbraw/zinc/35/10/23/158351023.db2.gz SWEPTMJCUSIWAR-ZDUSSCGKSA-N 0 0 310.419 0.764 10 0 DCAERN O=C(C1=COCCO1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164621377 158363800 /nfs/dbraw/zinc/36/38/00/158363800.db2.gz YVXWDKVKIMJETM-WCQYABFASA-N 0 0 306.362 0.877 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1F ZINC000166710626 158367241 /nfs/dbraw/zinc/36/72/41/158367241.db2.gz JNRHNMQWOTZZCQ-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000166646197 158367483 /nfs/dbraw/zinc/36/74/83/158367483.db2.gz IGMZZOJLHWJYHH-NSHDSACASA-N 0 0 321.381 0.218 10 0 DCAERN COCCn1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000170704794 158375992 /nfs/dbraw/zinc/37/59/92/158375992.db2.gz CVSSTYIJGWYXJB-WDEREUQCSA-N 0 0 309.370 0.647 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000170756611 158376255 /nfs/dbraw/zinc/37/62/55/158376255.db2.gz FZKPHSCUGLSWIW-CHWSQXEVSA-N 0 0 303.362 0.976 10 0 DCAERN COC(=O)Cn1cc(NC(=O)c2cnn3ccc(C)nc23)cn1 ZINC000170810510 158376934 /nfs/dbraw/zinc/37/69/34/158376934.db2.gz UKWCJXQECOFUAT-UHFFFAOYSA-N 0 0 314.305 0.660 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)no1 ZINC000170884030 158378103 /nfs/dbraw/zinc/37/81/03/158378103.db2.gz HDANMEDKEYLWHK-NSHDSACASA-N 0 0 309.370 0.430 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000171183306 158380571 /nfs/dbraw/zinc/38/05/71/158380571.db2.gz SZSLAQANZJIITQ-ZIAGYGMSSA-N 0 0 324.421 0.947 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[S@](C)=O ZINC000171785765 158387537 /nfs/dbraw/zinc/38/75/37/158387537.db2.gz YTDCZCPOALTUBS-WLRWDXFRSA-N 0 0 324.468 0.075 10 0 DCAERN O=C(c1sccc1-n1cnnn1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172356969 158393843 /nfs/dbraw/zinc/39/38/43/158393843.db2.gz YBZBUVJROJOTDY-DHHPTOIESA-N 0 0 319.390 0.957 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000172501178 158394781 /nfs/dbraw/zinc/39/47/81/158394781.db2.gz VJOXQEFVEPLYSY-LBPRGKRZSA-N 0 0 324.425 0.411 10 0 DCAERN C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Cn1cccn1 ZINC000172515829 158394973 /nfs/dbraw/zinc/39/49/73/158394973.db2.gz KYWVFGNBNYFGDD-LBPRGKRZSA-N 0 0 301.350 0.460 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000172548228 158395713 /nfs/dbraw/zinc/39/57/13/158395713.db2.gz MKXCJKDUTMTYQR-PWSUYJOCSA-N 0 0 310.398 0.389 10 0 DCAERN COc1ncccc1CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172539107 158395940 /nfs/dbraw/zinc/39/59/40/158395940.db2.gz FINAYIDELUEMRT-JQWIXIFHSA-N 0 0 306.366 0.934 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCCCc2nc(C(C)C)no2)C1 ZINC000172721501 158398408 /nfs/dbraw/zinc/39/84/08/158398408.db2.gz HFGXAAYWDQOLCC-GFCCVEGCSA-N 0 0 310.398 0.963 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000172742466 158398489 /nfs/dbraw/zinc/39/84/89/158398489.db2.gz DPJLIYMMRCVIDU-OAHLLOKOSA-N 0 0 317.389 0.593 10 0 DCAERN CN(C)C(=O)CNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000172720698 158398509 /nfs/dbraw/zinc/39/85/09/158398509.db2.gz FIHRJDZHWBCRLX-UHFFFAOYSA-N 0 0 307.325 0.771 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756319 158399022 /nfs/dbraw/zinc/39/90/22/158399022.db2.gz NMNNXLIMWXGAFL-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C)Cn1cccn1 ZINC000173037225 158402224 /nfs/dbraw/zinc/40/22/24/158402224.db2.gz HORRFRWTIFPGQX-UPJWGTAASA-N 0 0 316.427 0.463 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cc(N)nc(Cl)c3)CCO2)[nH]1 ZINC000173604242 158407148 /nfs/dbraw/zinc/40/71/48/158407148.db2.gz HBDLKACLPNJADU-SECBINFHSA-N 0 0 322.756 0.957 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000175121374 158424054 /nfs/dbraw/zinc/42/40/54/158424054.db2.gz YQTHSRORMLQWBF-LBPRGKRZSA-N 0 0 317.397 0.945 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000175856626 158431716 /nfs/dbraw/zinc/43/17/16/158431716.db2.gz NSDIIEZTJHQCDX-IUCAKERBSA-N 0 0 318.420 0.906 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000178649878 158461622 /nfs/dbraw/zinc/46/16/22/158461622.db2.gz XQQFCFUGPPAZIS-ZDUSSCGKSA-N 0 0 310.442 0.045 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)C(C)C ZINC000178696434 158462410 /nfs/dbraw/zinc/46/24/10/158462410.db2.gz QOGGUTVUWNPGCF-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000179297063 158470589 /nfs/dbraw/zinc/47/05/89/158470589.db2.gz WVAQJZBRRHAHCU-YPMHNXCESA-N 0 0 304.412 0.079 10 0 DCAERN Cc1csc([C@H]2CCCN(C(=O)Cn3ncn(C)c3=O)C2)n1 ZINC000179523357 158473465 /nfs/dbraw/zinc/47/34/65/158473465.db2.gz HBKPWLRTCIZOEX-NSHDSACASA-N 0 0 321.406 0.753 10 0 DCAERN COc1ccccc1C/C(C)=C/C(=O)N1CCOC[C@H]1C(N)=O ZINC000180196286 158476759 /nfs/dbraw/zinc/47/67/59/158476759.db2.gz XDVOEZJMJIZBDT-WONIAPNHSA-N 0 0 318.373 0.897 10 0 DCAERN COc1cc(N2CCN(C(=O)NCC(F)F)CC2)ncn1 ZINC000183599920 158500238 /nfs/dbraw/zinc/50/02/38/158500238.db2.gz KINMWMLIBMHITN-UHFFFAOYSA-N 0 0 301.297 0.582 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000183591823 158500693 /nfs/dbraw/zinc/50/06/93/158500693.db2.gz DQLPHXMGXZYPPV-WSVYEEACSA-N 0 0 314.411 0.269 10 0 DCAERN O=C(CN1CCN(c2cccs2)C(=O)C1)NC[C@@H]1CCCO1 ZINC000186116647 158526806 /nfs/dbraw/zinc/52/68/06/158526806.db2.gz GQEJTLXDOLLPIO-LBPRGKRZSA-N 0 0 323.418 0.692 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000188499643 158545188 /nfs/dbraw/zinc/54/51/88/158545188.db2.gz KQJQIMCKYDOARB-HUUCEWRRSA-N 0 0 302.374 0.816 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](CCO)C1CCCCC1 ZINC000189305431 158551031 /nfs/dbraw/zinc/55/10/31/158551031.db2.gz PIJRUPVXWSYKNF-RBSFLKMASA-N 0 0 312.410 0.416 10 0 DCAERN O=S(=O)(CCc1cccs1)NCCCn1ccnn1 ZINC000189814812 158555941 /nfs/dbraw/zinc/55/59/41/158555941.db2.gz WWUIVLNBJUGXBP-UHFFFAOYSA-N 0 0 300.409 0.892 10 0 DCAERN O=C(CN(CCO)CC(F)F)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193398222 158583720 /nfs/dbraw/zinc/58/37/20/158583720.db2.gz JBYPLMUAOVENMK-NWDGAFQWSA-N 0 0 306.353 0.716 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000193462194 158584574 /nfs/dbraw/zinc/58/45/74/158584574.db2.gz JZHKQYAPTCUHRK-UHFFFAOYSA-N 0 0 315.373 0.555 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCO[C@H]2C2CC2)c1Cl ZINC000230310930 158623522 /nfs/dbraw/zinc/62/35/22/158623522.db2.gz ZTUHHTIBFSGGPE-IUCAKERBSA-N 0 0 305.787 0.919 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)Nc1nncs1 ZINC000248847175 158699557 /nfs/dbraw/zinc/69/95/57/158699557.db2.gz PJNWSXNUXFGLHO-NGZCFLSTSA-N 0 0 310.379 0.750 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@H]1CCO[C@@H]1C ZINC000329200216 292399795 /nfs/dbraw/zinc/39/97/95/292399795.db2.gz VEOJNXUGCSMMSE-RFGFWPKPSA-N 0 0 300.399 0.358 10 0 DCAERN CN1CCO[C@@H](CNc2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC000264506101 158889425 /nfs/dbraw/zinc/88/94/25/158889425.db2.gz KHMNWKRLXUVERU-KGLIPLIRSA-N 0 0 321.425 0.428 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC000328599008 159013719 /nfs/dbraw/zinc/01/37/19/159013719.db2.gz BPBIYDSCGZDFGY-GFCCVEGCSA-N 0 0 301.350 0.856 10 0 DCAERN O=C1[C@H](N2CCC[C@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609218 159014246 /nfs/dbraw/zinc/01/42/46/159014246.db2.gz MOCFBNORXDXUKK-LSDHHAIUSA-N 0 0 319.409 0.695 10 0 DCAERN CS(=O)(=O)CC1(CN2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000328611730 159014928 /nfs/dbraw/zinc/01/49/28/159014928.db2.gz OSUKPJDBCVUDRS-CYBMUJFWSA-N 0 0 313.423 0.409 10 0 DCAERN Cc1cccc2nc(CN3CCN(C4CC4)C(=O)C3)cc(=O)n12 ZINC000328642694 159016620 /nfs/dbraw/zinc/01/66/20/159016620.db2.gz DZOSQQXEZSEMQN-UHFFFAOYSA-N 0 0 312.373 0.810 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CCN[C@H](c2cccnc2)C1 ZINC000328640675 159016818 /nfs/dbraw/zinc/01/68/18/159016818.db2.gz CUZXOJVCICYTID-AWEZNQCLSA-N 0 0 313.361 0.847 10 0 DCAERN CN1C[C@@H](C(=O)N2CCN[C@H](c3cccc(F)c3)C2)CC1=O ZINC000328653733 159017992 /nfs/dbraw/zinc/01/79/92/159017992.db2.gz LHRSKVAWWAYAPH-JSGCOSHPSA-N 0 0 305.353 0.777 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H]1CCCCC(=O)N1 ZINC000328697222 159022399 /nfs/dbraw/zinc/02/23/99/159022399.db2.gz DKUGZAKSACBRDQ-MNOVXSKESA-N 0 0 317.411 0.555 10 0 DCAERN C[C@H]1CCO[C@H]1c1nnc(N2CC[C@H](N3CCOCC3)C2)n1C ZINC000328716402 159023862 /nfs/dbraw/zinc/02/38/62/159023862.db2.gz OUJGFTDENVJDJO-MELADBBJSA-N 0 0 321.425 0.824 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)C[C@@H](C)N1CCCCC1=O)C2 ZINC000328787462 159029615 /nfs/dbraw/zinc/02/96/15/159029615.db2.gz XCBXQEQWOFIKAV-LLVKDONJSA-N 0 0 305.382 0.720 10 0 DCAERN CC(C)[C@@H]1N(S(=O)(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000328830566 159033286 /nfs/dbraw/zinc/03/32/86/159033286.db2.gz KNPLBDMWTWJZJV-STQMWFEESA-N 0 0 304.412 0.453 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@@H]21 ZINC000328852414 159034816 /nfs/dbraw/zinc/03/48/16/159034816.db2.gz BUBOTCPXLYGKLB-UONOGXRCSA-N 0 0 313.361 0.570 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1scnc1C1CC1 ZINC000328891450 159038265 /nfs/dbraw/zinc/03/82/65/159038265.db2.gz SQGMLTYWVKLCSA-VIFPVBQESA-N 0 0 315.420 0.914 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)ccc21 ZINC000328923506 159041717 /nfs/dbraw/zinc/04/17/17/159041717.db2.gz UXNZZZMOIGVTSI-HUUCEWRRSA-N 0 0 315.377 0.513 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000328953851 159045777 /nfs/dbraw/zinc/04/57/77/159045777.db2.gz MPEVBWREEZQPPN-SECBINFHSA-N 0 0 324.366 0.254 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000328966591 159048520 /nfs/dbraw/zinc/04/85/20/159048520.db2.gz MZJHSEIGYFXYOI-LBPRGKRZSA-N 0 0 317.389 0.626 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000329016519 159053064 /nfs/dbraw/zinc/05/30/64/159053064.db2.gz KHGKCXBDUMTNGQ-SRVKXCTJSA-N 0 0 309.366 0.201 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000329089668 159060197 /nfs/dbraw/zinc/06/01/97/159060197.db2.gz WGYCJWBWSUPEQE-SNVBAGLBSA-N 0 0 310.383 0.415 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(N3CCOCC3)ccn2)C1 ZINC000329211594 159073625 /nfs/dbraw/zinc/07/36/25/159073625.db2.gz ZGZHRNPVBAPZKW-UONOGXRCSA-N 0 0 321.377 0.140 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1nncn1C ZINC000329373222 159086002 /nfs/dbraw/zinc/08/60/02/159086002.db2.gz MWYVRGNJPWDRGZ-OLZOCXBDSA-N 0 0 307.398 0.417 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H](C(C)C)C2)nn1 ZINC000329406481 159089962 /nfs/dbraw/zinc/08/99/62/159089962.db2.gz CBZWFDJBIORPMS-MGPQQGTHSA-N 0 0 324.381 0.361 10 0 DCAERN Cn1nc(CC(=O)N2CC(n3ccnn3)C2)c2ccccc2c1=O ZINC000329538615 159101254 /nfs/dbraw/zinc/10/12/54/159101254.db2.gz MLZPAPYGOMSHAD-UHFFFAOYSA-N 0 0 324.344 0.151 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3C[C@]34CCOC4)CCO2)n1 ZINC000329623100 159107109 /nfs/dbraw/zinc/10/71/09/159107109.db2.gz HLLGLJGUZPMYKX-LZWOXQAQSA-N 0 0 320.393 0.549 10 0 DCAERN Cc1nc(SCCC(=O)N2CCS(=O)(=O)[C@H](C)C2)n[nH]1 ZINC000329642979 159108140 /nfs/dbraw/zinc/10/81/40/159108140.db2.gz YMOZOFURHGLFII-MRVPVSSYSA-N 0 0 318.424 0.241 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@@H](C3CC3)C2)nn1 ZINC000329677236 159111130 /nfs/dbraw/zinc/11/11/30/159111130.db2.gz WPSFYWFVCXFSJY-MRVWCRGKSA-N 0 0 306.366 0.737 10 0 DCAERN Cn1nccc1C1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000329667831 159111272 /nfs/dbraw/zinc/11/12/72/159111272.db2.gz LPQCFJQXQGBHBZ-UHFFFAOYSA-N 0 0 301.350 0.383 10 0 DCAERN O=C(Cc1ccon1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000329769658 159118187 /nfs/dbraw/zinc/11/81/87/159118187.db2.gz FMTCPLAUVSECSM-GFCCVEGCSA-N 0 0 307.350 0.315 10 0 DCAERN O=C(C[C@@H]1CCOC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000329823017 159121614 /nfs/dbraw/zinc/12/16/14/159121614.db2.gz HLYCVSHBLMHHRH-KBPBESRZSA-N 0 0 310.394 0.510 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329872893 159125133 /nfs/dbraw/zinc/12/51/33/159125133.db2.gz DKFXVBPLNUBJSN-YGRLFVJLSA-N 0 0 311.407 0.877 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@@H](C3CC3)C2)c(=O)c1 ZINC000329880854 159126016 /nfs/dbraw/zinc/12/60/16/159126016.db2.gz NXFNZNZRQLHLKA-RHSMWYFYSA-N 0 0 320.389 0.545 10 0 DCAERN COC1CCN(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000329930756 159129087 /nfs/dbraw/zinc/12/90/87/159129087.db2.gz ZVSBQUCQPAHBTP-ZFWWWQNUSA-N 0 0 322.409 0.659 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN3CCC2CC3)CCCC1 ZINC000329954526 159131014 /nfs/dbraw/zinc/13/10/14/159131014.db2.gz NUNAUVLYOFOPLS-UHFFFAOYSA-N 0 0 300.424 0.650 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)c2cn([C@H]3CCOC3)nn2)cn1 ZINC000330034037 159137202 /nfs/dbraw/zinc/13/72/02/159137202.db2.gz ASEGOVYDAVIIER-JSGCOSHPSA-N 0 0 316.365 0.950 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000330119310 159143275 /nfs/dbraw/zinc/14/32/75/159143275.db2.gz ZQMCTBMHLLIAQC-XJKSGUPXSA-N 0 0 310.394 0.794 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330191869 159148529 /nfs/dbraw/zinc/14/85/29/159148529.db2.gz XKBMHHIQXQSHQF-NWDGAFQWSA-N 0 0 314.411 0.883 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Cn2ccccc2=O)C1 ZINC000330219577 159151496 /nfs/dbraw/zinc/15/14/96/159151496.db2.gz PPEHVZDLZWVMRW-VXGBXAGGSA-N 0 0 318.333 0.528 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000330217535 159151607 /nfs/dbraw/zinc/15/16/07/159151607.db2.gz NXJWHMMROBYMSJ-UKRRQHHQSA-N 0 0 304.394 0.804 10 0 DCAERN CCn1cncc1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000330267537 159155010 /nfs/dbraw/zinc/15/50/10/159155010.db2.gz QPTGXCNAZXKPJK-LBPRGKRZSA-N 0 0 314.411 0.045 10 0 DCAERN O=C(NCC[C@@H](O)C(F)(F)F)[C@@H]1CCCCS1(=O)=O ZINC000330382397 159167102 /nfs/dbraw/zinc/16/71/02/159167102.db2.gz IZYAHZFLIWVYRG-JGVFFNPUSA-N 0 0 303.302 0.383 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332708363 159210887 /nfs/dbraw/zinc/21/08/87/159210887.db2.gz XQTSGJLYTKTLKH-UPJWGTAASA-N 0 0 307.394 0.705 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000332816423 159214538 /nfs/dbraw/zinc/21/45/38/159214538.db2.gz GSBFWUXGAKPOTK-UMNHJUIQSA-N 0 0 301.412 0.651 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](C2CC2)C1 ZINC000332977674 159218240 /nfs/dbraw/zinc/21/82/40/159218240.db2.gz JDYMCGPIWGSBGN-FZMZJTMJSA-N 0 0 307.394 0.818 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@H]32)n1 ZINC000359249037 159256081 /nfs/dbraw/zinc/25/60/81/159256081.db2.gz UYJRZDJWKKZRHL-WCQYABFASA-N 0 0 303.362 0.760 10 0 DCAERN COc1cccc2c1OCC[C@@H]2NC(=O)CN1CCOCC1=O ZINC000365099794 159277611 /nfs/dbraw/zinc/27/76/11/159277611.db2.gz NHJYSOBJULWOFK-LBPRGKRZSA-N 0 0 320.345 0.494 10 0 DCAERN Cc1c(/C=C/C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cnn1C ZINC000366753343 159283640 /nfs/dbraw/zinc/28/36/40/159283640.db2.gz BPCZOBLSKOBPNZ-FYJFLYSWSA-N 0 0 312.395 0.021 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000367082732 159311328 /nfs/dbraw/zinc/31/13/28/159311328.db2.gz AGQQXNQXPFPNRK-ZIAGYGMSSA-N 0 0 320.418 0.476 10 0 DCAERN CC(C)N(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367231845 159323287 /nfs/dbraw/zinc/32/32/87/159323287.db2.gz PPTFGPCLYUUYOG-STQMWFEESA-N 0 0 320.455 0.729 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000367259003 159325142 /nfs/dbraw/zinc/32/51/42/159325142.db2.gz GDDYGKBWHNRVAY-LOWDOPEQSA-N 0 0 320.393 0.668 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000367618846 159347251 /nfs/dbraw/zinc/34/72/51/159347251.db2.gz OJQUDLPGSISBLS-ASEORRQLSA-N 0 0 307.394 0.513 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@](F)(CO)C2)c1 ZINC000367863766 159361176 /nfs/dbraw/zinc/36/11/76/159361176.db2.gz OCZPVKBHPZFERZ-QDLOVBKTSA-N 0 0 321.352 0.777 10 0 DCAERN CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000368392429 159392138 /nfs/dbraw/zinc/39/21/38/159392138.db2.gz IKCAMNPRQFKYKV-KBPBESRZSA-N 0 0 320.455 0.130 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1cccc2c1OCCC2 ZINC000371370674 159563654 /nfs/dbraw/zinc/56/36/54/159563654.db2.gz ORVIBLCLLQIXGF-INIZCTEOSA-N 0 0 320.345 0.218 10 0 DCAERN CC(=O)CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374669044 159745525 /nfs/dbraw/zinc/74/55/25/159745525.db2.gz LUSOWZMYISUAAO-UHFFFAOYSA-N 0 0 302.396 0.382 10 0 DCAERN O=C(CSCc1ccncc1)N1CCN2CCOC[C@H]2C1 ZINC000374931242 159760555 /nfs/dbraw/zinc/76/05/55/159760555.db2.gz OBSCZVWKNMNKHY-CQSZACIVSA-N 0 0 307.419 0.858 10 0 DCAERN CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@](O)(C(N)=O)C2)CCO1 ZINC000375752208 159815183 /nfs/dbraw/zinc/81/51/83/159815183.db2.gz AYDMOXATJSZJCS-DVOMOZLQSA-N 0 0 312.410 0.667 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC=C(c2ccnn2C)CC1 ZINC000375955092 159829698 /nfs/dbraw/zinc/82/96/98/159829698.db2.gz UXOKRYFTVAQRND-CQSZACIVSA-N 0 0 320.418 0.957 10 0 DCAERN NC(=O)C[C@@H]1CCN(C(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000376608488 159866577 /nfs/dbraw/zinc/86/65/77/159866577.db2.gz DRGJTZSSUKXYOA-ZDUSSCGKSA-N 0 0 324.425 0.686 10 0 DCAERN C[C@@]1(C(=O)N2CC(=O)N(CC(F)(F)F)C2)CCC(=O)NC1 ZINC000407952982 159995312 /nfs/dbraw/zinc/99/53/12/159995312.db2.gz BFNLYHVFFPHWEJ-LLVKDONJSA-N 0 0 307.272 0.093 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407987187 160003387 /nfs/dbraw/zinc/00/33/87/160003387.db2.gz WXQZOPQGOQQPER-ODXZIHIVSA-N 0 0 301.412 0.254 10 0 DCAERN CC1(O)CN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC000407986276 160003737 /nfs/dbraw/zinc/00/37/37/160003737.db2.gz LLTGLCBEQSBUNO-UHFFFAOYSA-N 0 0 308.403 0.950 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCC2(SC)CCOCC2)C1 ZINC000407986052 160003831 /nfs/dbraw/zinc/00/38/31/160003831.db2.gz KILBBYDRXMNCJE-UHFFFAOYSA-N 0 0 316.427 0.221 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H](SC)C2)C1 ZINC000407987740 160003906 /nfs/dbraw/zinc/00/39/06/160003906.db2.gz RDRUWZGKFLYCOR-GXSJLCMTSA-N 0 0 300.428 0.983 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCCO[C@H]2CC(C)C)C1 ZINC000407988990 160004171 /nfs/dbraw/zinc/00/41/71/160004171.db2.gz WFLNSYPTDRWQRG-STQMWFEESA-N 0 0 312.414 0.903 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NC(=O)NC3CC3)[C@@H]2C1 ZINC000407993787 160005590 /nfs/dbraw/zinc/00/55/90/160005590.db2.gz UGTNLACXQWLCTG-JHJVBQTASA-N 0 0 311.382 0.243 10 0 DCAERN Cc1nc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c[nH]1 ZINC000407994228 160005877 /nfs/dbraw/zinc/00/58/77/160005877.db2.gz ARMVYGYLRJGBPZ-SNVBAGLBSA-N 0 0 300.384 0.260 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)C[C@@H](C)O1 ZINC000408003324 160007787 /nfs/dbraw/zinc/00/77/87/160007787.db2.gz JLTLNEPXNUJRHW-HLTSFMKQSA-N 0 0 320.333 0.243 10 0 DCAERN CC1CCC(N2C[C@H](C(=O)N3CCO[C@H](CO)C3)CC2=O)CC1 ZINC000408004885 160008517 /nfs/dbraw/zinc/00/85/17/160008517.db2.gz ZWFJQJNDURPVHD-JYVUQVBGSA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408004488 160009109 /nfs/dbraw/zinc/00/91/09/160009109.db2.gz XXEHQNPGWJAQOS-RYUDHWBXSA-N 0 0 317.393 0.803 10 0 DCAERN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@H](CCO)C1 ZINC000408012102 160010291 /nfs/dbraw/zinc/01/02/91/160010291.db2.gz ZVQHNUJOAPUZLV-GFCCVEGCSA-N 0 0 323.393 0.472 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000408012347 160010504 /nfs/dbraw/zinc/01/05/04/160010504.db2.gz HDAGKKGRKLLIGH-SGMGOOAPSA-N 0 0 317.455 0.810 10 0 DCAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](CCO)C1 ZINC000408011453 160010633 /nfs/dbraw/zinc/01/06/33/160010633.db2.gz RDRVYMBLDALQPE-NSHDSACASA-N 0 0 309.366 0.082 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)o1 ZINC000408015089 160011497 /nfs/dbraw/zinc/01/14/97/160011497.db2.gz AAJGHDZXGWDKDB-RYUDHWBXSA-N 0 0 300.380 0.682 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000408017456 160012015 /nfs/dbraw/zinc/01/20/15/160012015.db2.gz SFDLSSHTXSLPCI-NWDGAFQWSA-N 0 0 314.411 0.340 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000408017735 160012111 /nfs/dbraw/zinc/01/21/11/160012111.db2.gz VCGZVQREWXPXOZ-GXTWGEPZSA-N 0 0 305.378 0.888 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408017984 160012713 /nfs/dbraw/zinc/01/27/13/160012713.db2.gz WXUDACPXDVLGCP-GXTWGEPZSA-N 0 0 308.403 0.996 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(c3nccn3C)CC2)c1 ZINC000408025262 160014776 /nfs/dbraw/zinc/01/47/76/160014776.db2.gz PUYLDRMRZUTUEU-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408024477 160015112 /nfs/dbraw/zinc/01/51/12/160015112.db2.gz BRKOEHOFMAZYKU-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCCCCC1 ZINC000408028521 160015638 /nfs/dbraw/zinc/01/56/38/160015638.db2.gz SOGUNMTYVGMOCW-QWHCGFSZSA-N 0 0 306.428 0.843 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)CO1 ZINC000408033749 160017778 /nfs/dbraw/zinc/01/77/78/160017778.db2.gz BMLYXAHHKRODTE-AGIUHOORSA-N 0 0 320.393 0.290 10 0 DCAERN O=C(CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043028 160020970 /nfs/dbraw/zinc/02/09/70/160020970.db2.gz IYRXTPOUTNFOPB-KFWWJZLASA-N 0 0 312.410 0.097 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000408045491 160021818 /nfs/dbraw/zinc/02/18/18/160021818.db2.gz FZXCBUMDECOAQU-XJKSGUPXSA-N 0 0 320.393 0.287 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000408048630 160022369 /nfs/dbraw/zinc/02/23/69/160022369.db2.gz YWMVSDGIMWFYDU-LLVKDONJSA-N 0 0 316.361 0.684 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(C)o1 ZINC000408048311 160022648 /nfs/dbraw/zinc/02/26/48/160022648.db2.gz MBJUUEGMVVHTNA-WDEREUQCSA-N 0 0 315.395 0.882 10 0 DCAERN CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408053788 160024318 /nfs/dbraw/zinc/02/43/18/160024318.db2.gz POINRCMLYLRABT-NWDGAFQWSA-N 0 0 316.423 0.328 10 0 DCAERN CC[C@H]1CN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CCS1 ZINC000408054360 160024385 /nfs/dbraw/zinc/02/43/85/160024385.db2.gz RMLBOKXOOVLNED-JSGCOSHPSA-N 0 0 300.424 0.714 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053225 160024517 /nfs/dbraw/zinc/02/45/17/160024517.db2.gz NZNBVQICNOEKSL-LOWDOPEQSA-N 0 0 314.357 0.209 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408053791 160024572 /nfs/dbraw/zinc/02/45/72/160024572.db2.gz POINRCMLYLRABT-RYUDHWBXSA-N 0 0 316.423 0.328 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCCNC3=O)ccc21 ZINC000408055698 160025131 /nfs/dbraw/zinc/02/51/31/160025131.db2.gz ZMOQFYJGMBABCD-CYBMUJFWSA-N 0 0 301.346 0.604 10 0 DCAERN Cc1noc(C)c1C(C)(C)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000408055815 160025230 /nfs/dbraw/zinc/02/52/30/160025230.db2.gz ATGRWAKWQGGNLC-HNNXBMFYSA-N 0 0 309.366 0.408 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(C)(OC)C1 ZINC000408057029 160025236 /nfs/dbraw/zinc/02/52/36/160025236.db2.gz OUTPBXWDSAIHCN-LLVKDONJSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C[C@H]1C(N)=O ZINC000408055718 160025408 /nfs/dbraw/zinc/02/54/08/160025408.db2.gz XFOZZZGKBUFQQB-MWLCHTKSSA-N 0 0 321.343 0.841 10 0 DCAERN O=C([C@@H](O)C1CCCCC1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000408062326 160026482 /nfs/dbraw/zinc/02/64/82/160026482.db2.gz NPQRCOAYBPNYGO-HOCLYGCPSA-N 0 0 322.409 0.573 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)N2CCC2)c1 ZINC000408062844 160026496 /nfs/dbraw/zinc/02/64/96/160026496.db2.gz RLUOVEKTJOWZRN-UHFFFAOYSA-N 0 0 319.408 0.299 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000408066752 160027629 /nfs/dbraw/zinc/02/76/29/160027629.db2.gz BZGDMCVWHKRACP-LLVKDONJSA-N 0 0 314.411 0.408 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408075378 160030444 /nfs/dbraw/zinc/03/04/44/160030444.db2.gz XZRAFLUQQPJJJT-QWHCGFSZSA-N 0 0 305.382 0.912 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN(CC(F)F)CC2)CCC1 ZINC000408103901 160036254 /nfs/dbraw/zinc/03/62/54/160036254.db2.gz NXBZALFEPAPJMI-UHFFFAOYSA-N 0 0 310.366 0.363 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C ZINC000408110447 160037996 /nfs/dbraw/zinc/03/79/96/160037996.db2.gz QDNAEIDKNAQIMV-ZJUUUORDSA-N 0 0 305.396 0.467 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c(C)o1 ZINC000408118768 160040160 /nfs/dbraw/zinc/04/01/60/160040160.db2.gz WVHQKLWRLYIWCW-VXGBXAGGSA-N 0 0 300.380 0.600 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)CCO1 ZINC000408121181 160041032 /nfs/dbraw/zinc/04/10/32/160041032.db2.gz BZCRJNMVLZLEHU-RYUDHWBXSA-N 0 0 306.428 0.483 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)C1 ZINC000408120747 160041184 /nfs/dbraw/zinc/04/11/84/160041184.db2.gz YMLNPIBQNGXJLK-CQSZACIVSA-N 0 0 321.421 0.714 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408126933 160042993 /nfs/dbraw/zinc/04/29/93/160042993.db2.gz CBXSMSZSHMKORW-HUUCEWRRSA-N 0 0 321.421 0.858 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000408130990 160043486 /nfs/dbraw/zinc/04/34/86/160043486.db2.gz FQWFTPBMRPXJKW-GFCCVEGCSA-N 0 0 301.416 0.748 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408133372 160044371 /nfs/dbraw/zinc/04/43/71/160044371.db2.gz NTWGQLYSPRZVQF-CHWSQXEVSA-N 0 0 317.455 0.810 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@H]1CO ZINC000408140574 160045692 /nfs/dbraw/zinc/04/56/92/160045692.db2.gz RPCOGVSBYSSZRQ-SYQHCUMBSA-N 0 0 322.405 0.781 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CCN1C[C@H](C)O ZINC000408140221 160045820 /nfs/dbraw/zinc/04/58/20/160045820.db2.gz QRITXDBOPBHBQA-HZSPNIEDSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000408154581 160049061 /nfs/dbraw/zinc/04/90/61/160049061.db2.gz PZXRAUSTUBJNBL-SNVBAGLBSA-N 0 0 306.341 0.742 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N1 ZINC000408166967 160050917 /nfs/dbraw/zinc/05/09/17/160050917.db2.gz VLYFLZYBQMSLDW-OLZOCXBDSA-N 0 0 302.378 0.645 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000408166221 160050971 /nfs/dbraw/zinc/05/09/71/160050971.db2.gz XIWUBKVUJRCKFP-ZJUUUORDSA-N 0 0 309.395 0.381 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC(=O)N1 ZINC000408164540 160051014 /nfs/dbraw/zinc/05/10/14/160051014.db2.gz ILZXIXGKTJXPLM-OLZOCXBDSA-N 0 0 317.389 0.956 10 0 DCAERN COC1(C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CCC1 ZINC000408170763 160052138 /nfs/dbraw/zinc/05/21/38/160052138.db2.gz FWMFQHFGQSIEOH-ZDUSSCGKSA-N 0 0 308.382 0.691 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCOCC3(CC3)C2)C1=O ZINC000408177961 160053729 /nfs/dbraw/zinc/05/37/29/160053729.db2.gz SXWXLEUIQGBFOE-UHFFFAOYSA-N 0 0 309.366 0.300 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000408187609 160055115 /nfs/dbraw/zinc/05/51/15/160055115.db2.gz OVLNLTYMHMSJCP-UBHSHLNASA-N 0 0 324.402 0.438 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000408186954 160055256 /nfs/dbraw/zinc/05/52/56/160055256.db2.gz YMQXNNYLEVHNKH-UHFFFAOYSA-N 0 0 300.384 0.007 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408185496 160055312 /nfs/dbraw/zinc/05/53/12/160055312.db2.gz DBBDCDUSOLTPPC-OUCADQQQSA-N 0 0 302.378 0.920 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C)C[C@@H]1C ZINC000408186125 160055326 /nfs/dbraw/zinc/05/53/26/160055326.db2.gz PWTCJWHPTAVCNY-JTQLQIEISA-N 0 0 303.366 0.753 10 0 DCAERN Cc1cc(C(F)(F)F)nc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000408193778 160056574 /nfs/dbraw/zinc/05/65/74/160056574.db2.gz DZNZGLZLVLMQBG-MRVPVSSYSA-N 0 0 324.328 0.932 10 0 DCAERN NC(=O)c1ncc(Br)cc1N1CCC(O)CC1 ZINC000408191453 160056681 /nfs/dbraw/zinc/05/66/81/160056681.db2.gz HUOVYEAFEPWBOF-UHFFFAOYSA-N 0 0 300.156 0.904 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CCOC1 ZINC000408196819 160057391 /nfs/dbraw/zinc/05/73/91/160057391.db2.gz CKFUNXODFDXQDU-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)NC2CCC(C(=O)NC)CC2)CC(=O)N1 ZINC000408197484 160057687 /nfs/dbraw/zinc/05/76/87/160057687.db2.gz JMPRZLHTJCCNAB-QZQSVVMZSA-N 0 0 309.410 0.712 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N2CCN(CC(C)(C)O)CC2)CC(=O)N1 ZINC000408200992 160058452 /nfs/dbraw/zinc/05/84/52/160058452.db2.gz CQBLSQFFNXDFHM-OLZOCXBDSA-N 0 0 311.426 0.206 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)CC(=O)N1 ZINC000408200996 160058555 /nfs/dbraw/zinc/05/85/55/160058555.db2.gz CRLLSQLTVWEVJY-XDQVBPFNSA-N 0 0 311.426 0.205 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000408201926 160059046 /nfs/dbraw/zinc/05/90/46/160059046.db2.gz GVVOUGFLPHQEHD-KBXIAJHMSA-N 0 0 323.437 0.470 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)CCS1(=O)=O ZINC000408202501 160059053 /nfs/dbraw/zinc/05/90/53/160059053.db2.gz IVIKXOYAHNMOEJ-LLVKDONJSA-N 0 0 324.406 0.336 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)CCS1(=O)=O ZINC000408202502 160059379 /nfs/dbraw/zinc/05/93/79/160059379.db2.gz IVIKXOYAHNMOEJ-NSHDSACASA-N 0 0 324.406 0.336 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CC[S@](=O)[C@H](C)C3)nc12 ZINC000408211644 160060732 /nfs/dbraw/zinc/06/07/32/160060732.db2.gz QGPOBYIEFQJTFB-GTJPDFRWSA-N 0 0 305.403 0.956 10 0 DCAERN C[C@@H]1CCCN(C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408215835 160061827 /nfs/dbraw/zinc/06/18/27/160061827.db2.gz ANXUIJGQRMBPAX-OLZOCXBDSA-N 0 0 302.440 0.611 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC(O)C1 ZINC000408218235 160062354 /nfs/dbraw/zinc/06/23/54/160062354.db2.gz HLLUZYAYXFQXJK-YYJSSNLHSA-N 0 0 300.424 0.916 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC000408219442 160062355 /nfs/dbraw/zinc/06/23/55/160062355.db2.gz NCGKMOBOARLOKB-QWRGUYRKSA-N 0 0 313.441 0.250 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3ncc(C)cc3O)CCO2)[nH]1 ZINC000408229022 160064164 /nfs/dbraw/zinc/06/41/64/160064164.db2.gz LVTOXVMJNFOSLR-LLVKDONJSA-N 0 0 303.322 0.736 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1(F)F ZINC000408230472 160064366 /nfs/dbraw/zinc/06/43/66/160064366.db2.gz GVCBQFIDRMWZGZ-SKDRFNHKSA-N 0 0 322.319 0.674 10 0 DCAERN Cc1ccncc1N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000408231066 160064405 /nfs/dbraw/zinc/06/44/05/160064405.db2.gz FMRBBRVWESMQKW-UHFFFAOYSA-N 0 0 310.423 0.853 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408234411 160065378 /nfs/dbraw/zinc/06/53/78/160065378.db2.gz FCHPSAMIISJSKL-RKDXNWHRSA-N 0 0 305.425 0.895 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408232395 160065719 /nfs/dbraw/zinc/06/57/19/160065719.db2.gz NZDJYYWFOFECQK-RKDXNWHRSA-N 0 0 304.334 0.312 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)n1 ZINC000408233909 160065733 /nfs/dbraw/zinc/06/57/33/160065733.db2.gz BXTIZMIBFJHICB-VGMNWLOBSA-N 0 0 304.372 0.383 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(C(C)C)c2)C1 ZINC000408236442 160066018 /nfs/dbraw/zinc/06/60/18/160066018.db2.gz IFYLQGISLBGTPE-LBPRGKRZSA-N 0 0 314.411 0.753 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000408239304 160067020 /nfs/dbraw/zinc/06/70/20/160067020.db2.gz WMKIJOQPOOIVAK-GHMZBOCLSA-N 0 0 301.412 0.838 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)CN2CCCCC2=O)CC1(C)C ZINC000408244588 160068490 /nfs/dbraw/zinc/06/84/90/160068490.db2.gz PLZSGLRCBVFGLF-UHFFFAOYSA-N 0 0 309.410 0.857 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408250201 160069851 /nfs/dbraw/zinc/06/98/51/160069851.db2.gz JJFSWCFDRNTCLP-INIZCTEOSA-N 0 0 316.361 0.920 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000408252021 160069863 /nfs/dbraw/zinc/06/98/63/160069863.db2.gz KXANMWCPXUMXIW-MLGOLLRUSA-N 0 0 322.409 0.307 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000408258920 160071281 /nfs/dbraw/zinc/07/12/81/160071281.db2.gz DDVZERSQOXASBB-QWHCGFSZSA-N 0 0 324.425 0.600 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408262959 160072188 /nfs/dbraw/zinc/07/21/88/160072188.db2.gz ADHASKNTMQBNBX-QJPTWQEYSA-N 0 0 309.370 0.294 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000408281657 160075605 /nfs/dbraw/zinc/07/56/05/160075605.db2.gz QBNXMJVJPLVYEW-UONOGXRCSA-N 0 0 311.426 0.160 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)C1 ZINC000408292601 160077312 /nfs/dbraw/zinc/07/73/12/160077312.db2.gz DIRIXQRJJOMJMP-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1cnc2sccc2c1=O ZINC000408293274 160078214 /nfs/dbraw/zinc/07/82/14/160078214.db2.gz XLQJKOKAPDHBKH-SECBINFHSA-N 0 0 320.374 0.195 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000408295744 160078899 /nfs/dbraw/zinc/07/88/99/160078899.db2.gz WLHJTCBPOQNKHE-CHWSQXEVSA-N 0 0 304.350 0.332 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(c3nncn3C)CC2)c1 ZINC000408301198 160079942 /nfs/dbraw/zinc/07/99/42/160079942.db2.gz PRLCTNOCEKSDMA-UHFFFAOYSA-N 0 0 324.410 0.600 10 0 DCAERN Cc1[nH]nc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1C ZINC000408306687 160081388 /nfs/dbraw/zinc/08/13/88/160081388.db2.gz QVRDSBNHJYXEAA-GFCCVEGCSA-N 0 0 306.366 0.536 10 0 DCAERN CC1CCN(CC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408306722 160081815 /nfs/dbraw/zinc/08/18/15/160081815.db2.gz BDUIYNYSECEKOV-ZDUSSCGKSA-N 0 0 302.440 0.611 10 0 DCAERN C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000408325680 160085298 /nfs/dbraw/zinc/08/52/98/160085298.db2.gz CPCRCCIEOLLADL-YGRLFVJLSA-N 0 0 308.407 0.836 10 0 DCAERN CC(=O)N1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)[C@@H](C)C1 ZINC000408323884 160085376 /nfs/dbraw/zinc/08/53/76/160085376.db2.gz DPHBRXPGUVVGAF-QMMMGPOBSA-N 0 0 320.378 0.621 10 0 DCAERN C[C@]1(C(N)=O)CCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408326801 160085502 /nfs/dbraw/zinc/08/55/02/160085502.db2.gz PXLOVIMGAHZZGR-HNNXBMFYSA-N 0 0 303.318 0.355 10 0 DCAERN CC1(C)CN(C(=O)CNC(=O)c2ccco2)C[C@@]2(CCOC2)O1 ZINC000408328786 160086144 /nfs/dbraw/zinc/08/61/44/160086144.db2.gz XLXWCIJIRBBZPG-MRXNPFEDSA-N 0 0 322.361 0.806 10 0 DCAERN CSc1c(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cnn1C ZINC000408329491 160086173 /nfs/dbraw/zinc/08/61/73/160086173.db2.gz JMBZIVFBSLLFNN-QMMMGPOBSA-N 0 0 303.409 0.401 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408352061 160090291 /nfs/dbraw/zinc/09/02/91/160090291.db2.gz LVIUGZXGJGLOHR-KBPBESRZSA-N 0 0 312.410 0.348 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000408351530 160090336 /nfs/dbraw/zinc/09/03/36/160090336.db2.gz FYEDYOXFGHVWLI-VXGBXAGGSA-N 0 0 300.424 0.775 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000408354266 160090953 /nfs/dbraw/zinc/09/09/53/160090953.db2.gz JGVLMTNBAXLFEZ-CQSZACIVSA-N 0 0 305.378 0.792 10 0 DCAERN CCCNS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000408357051 160091378 /nfs/dbraw/zinc/09/13/78/160091378.db2.gz ISDKZBOPQZFRMA-LBPRGKRZSA-N 0 0 305.444 0.416 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408364081 160092412 /nfs/dbraw/zinc/09/24/12/160092412.db2.gz GEFZEUNHKLYLQN-ZWNOBZJWSA-N 0 0 300.380 0.462 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC000408374522 160094717 /nfs/dbraw/zinc/09/47/17/160094717.db2.gz LRKHHFUFAILQGT-UONOGXRCSA-N 0 0 307.398 0.217 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCNC2=O)C1 ZINC000408378037 160095274 /nfs/dbraw/zinc/09/52/74/160095274.db2.gz BHWBODJRNZDWIC-OSCVLKFXSA-N 0 0 315.439 0.644 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000408379117 160095325 /nfs/dbraw/zinc/09/53/25/160095325.db2.gz IVDAKVDHUONAJZ-CQSZACIVSA-N 0 0 319.361 0.821 10 0 DCAERN Cn1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)cn1 ZINC000408390464 160098378 /nfs/dbraw/zinc/09/83/78/160098378.db2.gz VVECOUVGCROPQZ-LBPRGKRZSA-N 0 0 303.370 0.674 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC000408390640 160098543 /nfs/dbraw/zinc/09/85/43/160098543.db2.gz XWMSZXPNBDPJMK-UHFFFAOYSA-N 0 0 313.379 0.203 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000408391945 160098926 /nfs/dbraw/zinc/09/89/26/160098926.db2.gz AFRLEZSERHNJRU-LBPRGKRZSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000408392002 160098981 /nfs/dbraw/zinc/09/89/81/160098981.db2.gz AVNIRORYPWIMHM-WOPDTQHZSA-N 0 0 306.366 0.422 10 0 DCAERN CSc1c(C(=O)N2CC[S@](=O)C[C@H](C)C2)cnn1C ZINC000408398812 160100372 /nfs/dbraw/zinc/10/03/72/160100372.db2.gz YAWMFZZLVKBVIK-HOGDKLEQSA-N 0 0 301.437 0.983 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000408403992 160101031 /nfs/dbraw/zinc/10/10/31/160101031.db2.gz WUAQLRYIMJGFCQ-XQQFMLRXSA-N 0 0 311.382 0.638 10 0 DCAERN COC(C)(C)C(=O)N1CCN(c2cncc3nc(C)nn32)CC1 ZINC000408403015 160101178 /nfs/dbraw/zinc/10/11/78/160101178.db2.gz KJFHRZFLHYKNDD-UHFFFAOYSA-N 0 0 318.381 0.506 10 0 DCAERN O=S1(=O)CCCN1[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000408402059 160101180 /nfs/dbraw/zinc/10/11/80/160101180.db2.gz JRMRNAGSINNVHD-VHSXEESVSA-N 0 0 316.345 0.410 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@](C)=O)CCC2)[C@H](C)CO1 ZINC000408408994 160102669 /nfs/dbraw/zinc/10/26/69/160102669.db2.gz ZBACBFSPMKNHHP-BFKGZMGPSA-N 0 0 324.468 0.231 10 0 DCAERN CC1(O)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000408410760 160102833 /nfs/dbraw/zinc/10/28/33/160102833.db2.gz YJUYWSDELYSYLO-GFCCVEGCSA-N 0 0 304.346 0.590 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3CCO[C@@H](CO)C3)c(O)c2O1 ZINC000408410523 160103046 /nfs/dbraw/zinc/10/30/46/160103046.db2.gz SUIRAFBIEWZPSO-LLVKDONJSA-N 0 0 307.346 0.939 10 0 DCAERN CC1(C)CCC[C@](O)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC000408417167 160103456 /nfs/dbraw/zinc/10/34/56/160103456.db2.gz QKCYXPWPQOYCFH-OAHLLOKOSA-N 0 0 311.382 0.376 10 0 DCAERN C[C@H](c1ncc(Br)cn1)N1CCO[C@H](CO)C1 ZINC000408414002 160103518 /nfs/dbraw/zinc/10/35/18/160103518.db2.gz XEUYPCQKQLCMSP-SCZZXKLOSA-N 0 0 302.172 0.993 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CO[C@H](C)C1 ZINC000408419613 160104476 /nfs/dbraw/zinc/10/44/76/160104476.db2.gz MLRGVFUOYYXHJM-ZYHUDNBSSA-N 0 0 324.402 0.909 10 0 DCAERN Cc1nnc([C@@H](C)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)o1 ZINC000408425224 160104870 /nfs/dbraw/zinc/10/48/70/160104870.db2.gz JNIXXXUUIDSNEK-MWLCHTKSSA-N 0 0 302.400 0.841 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408424298 160105257 /nfs/dbraw/zinc/10/52/57/160105257.db2.gz UVGLQUHVEVVYIR-HBNTYKKESA-N 0 0 308.300 0.912 10 0 DCAERN CN(C(=O)CNC(=O)[C@@H]1CCCCC(=O)N1)C1CCCCC1 ZINC000408448485 160110344 /nfs/dbraw/zinc/11/03/44/160110344.db2.gz VQPZQXLDWDJECJ-ZDUSSCGKSA-N 0 0 309.410 0.953 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCc2cc(F)ccc21 ZINC000408451754 160110795 /nfs/dbraw/zinc/11/07/95/160110795.db2.gz KMRDFBKKDATQIJ-UHFFFAOYSA-N 0 0 301.343 0.159 10 0 DCAERN CC[C@@H](O)CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000408450583 160111269 /nfs/dbraw/zinc/11/12/69/160111269.db2.gz FWHMSJBOIWWCPJ-GHMZBOCLSA-N 0 0 318.464 0.624 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCc3c(ncn(C)c3=O)C2)cn1 ZINC000408455738 160111583 /nfs/dbraw/zinc/11/15/83/160111583.db2.gz YRSBPQKYSWCGBP-UHFFFAOYSA-N 0 0 320.374 0.231 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408454606 160111989 /nfs/dbraw/zinc/11/19/89/160111989.db2.gz VMYIZABSRUHPJL-HNNXBMFYSA-N 0 0 319.317 0.215 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCN(C)C(=O)C2(C)C)CCO1 ZINC000408461987 160113644 /nfs/dbraw/zinc/11/36/44/160113644.db2.gz XMLARFXSOONXTP-GHMZBOCLSA-N 0 0 304.412 0.436 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000408461783 160113904 /nfs/dbraw/zinc/11/39/04/160113904.db2.gz WUYVFLGSQYWKDS-YNEHKIRRSA-N 0 0 306.428 0.004 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C[C@H]1C(N)=O ZINC000408473821 160116329 /nfs/dbraw/zinc/11/63/29/160116329.db2.gz KNIDZMSOBTZWOX-BXKDBHETSA-N 0 0 317.324 0.600 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000091414196 286935590 /nfs/dbraw/zinc/93/55/90/286935590.db2.gz JSQFJZVWGFBPMT-UHFFFAOYSA-N 0 0 314.345 0.701 10 0 DCAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000119920945 286949959 /nfs/dbraw/zinc/94/99/59/286949959.db2.gz VLKGMDKXLNWYNC-QWRGUYRKSA-N 0 0 317.345 0.847 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCC[C@H](C)O ZINC000126317995 286970782 /nfs/dbraw/zinc/97/07/82/286970782.db2.gz FDSODXOYCQCYRK-NEPJUHHUSA-N 0 0 318.377 0.855 10 0 DCAERN C[C@H](CNC(=O)N1CCC(CC(N)=O)CC1)N1CCOCC1 ZINC000126512644 286971994 /nfs/dbraw/zinc/97/19/94/286971994.db2.gz CFRQHXJNVWIBON-GFCCVEGCSA-N 0 0 312.414 0.004 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCCN1CCCC1=O ZINC000126562777 286972317 /nfs/dbraw/zinc/97/23/17/286972317.db2.gz IRZFJSAEIWBGTG-UHFFFAOYSA-N 0 0 321.425 0.891 10 0 DCAERN COCc1nc(C)c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)s1 ZINC000130324278 286993218 /nfs/dbraw/zinc/99/32/18/286993218.db2.gz SRHOKODBPMTJFS-GHMZBOCLSA-N 0 0 311.407 0.753 10 0 DCAERN COC[C@H](O)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000130472806 286994391 /nfs/dbraw/zinc/99/43/91/286994391.db2.gz NQANGYJONHEYIB-LLVKDONJSA-N 0 0 310.375 0.911 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000132298861 287004935 /nfs/dbraw/zinc/00/49/35/287004935.db2.gz SAUQOGYHUDHFGI-WDEREUQCSA-N 0 0 324.381 0.782 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000133874320 287013721 /nfs/dbraw/zinc/01/37/21/287013721.db2.gz RYRLTRWECFKUQR-MNOVXSKESA-N 0 0 306.366 0.171 10 0 DCAERN CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccn1 ZINC000134573928 287017155 /nfs/dbraw/zinc/01/71/55/287017155.db2.gz YUIOLOIVXALCIE-UHFFFAOYSA-N 0 0 310.313 0.748 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000136062139 287025630 /nfs/dbraw/zinc/02/56/30/287025630.db2.gz JDJGXVWVQQVJPJ-LLVKDONJSA-N 0 0 304.346 0.836 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136127794 287025502 /nfs/dbraw/zinc/02/55/02/287025502.db2.gz AZYKBUGISFTTFB-CYBMUJFWSA-N 0 0 308.444 0.131 10 0 DCAERN Cn1cc(NC(=O)Cc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000150736567 287030371 /nfs/dbraw/zinc/03/03/71/287030371.db2.gz MHFKHNZMYVOWRR-UHFFFAOYSA-N 0 0 307.737 0.919 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c(=O)[nH]c1C ZINC000152777911 287044242 /nfs/dbraw/zinc/04/42/42/287044242.db2.gz LLBRPGCIZIRJDF-NWDGAFQWSA-N 0 0 308.382 0.226 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)[C@@H](C)CO1 ZINC000245620996 287071263 /nfs/dbraw/zinc/07/12/63/287071263.db2.gz NSBOGEBMECPJKF-MRFVTOPCSA-N 0 0 320.455 0.823 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2(O)CCCC2)[C@@H](C)CO1 ZINC000245644152 287071386 /nfs/dbraw/zinc/07/13/86/287071386.db2.gz BTBYNNALBAFXSH-NWDGAFQWSA-N 0 0 306.428 0.577 10 0 DCAERN CC(C)COC[C@H](O)CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000245781829 287072854 /nfs/dbraw/zinc/07/28/54/287072854.db2.gz CHTSKSOTWAPSLQ-QWHCGFSZSA-N 0 0 308.444 0.586 10 0 DCAERN C[C@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1N1CCOCC1 ZINC000245932434 287074409 /nfs/dbraw/zinc/07/44/09/287074409.db2.gz JSOVNRFZWDYKSF-NWDGAFQWSA-N 0 0 311.455 0.757 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(CCC(=O)OC)C[C@H]1C ZINC000245924343 287074417 /nfs/dbraw/zinc/07/44/17/287074417.db2.gz YLIKQVNBGPMEHV-CYBMUJFWSA-N 0 0 313.442 0.860 10 0 DCAERN C[C@@H]1CC(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H](C)O1 ZINC000245960362 287074788 /nfs/dbraw/zinc/07/47/88/287074788.db2.gz DGIPBMQBPCUYHW-RFHZTLPTSA-N 0 0 312.410 0.942 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000246287738 287080760 /nfs/dbraw/zinc/08/07/60/287080760.db2.gz VYQHGBZBEYQSOA-IGQOVBAYSA-N 0 0 319.471 0.612 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)[C@@H](C)CO1 ZINC000246566225 287085503 /nfs/dbraw/zinc/08/55/03/287085503.db2.gz SBTUSWCRRXCGFI-IUCAKERBSA-N 0 0 324.353 0.722 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000330247646 296860383 /nfs/dbraw/zinc/86/03/83/296860383.db2.gz LVPPNLHISKMYOL-BLTAXRJOSA-N 0 0 320.393 0.575 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247016172 287090165 /nfs/dbraw/zinc/09/01/65/287090165.db2.gz OVVMXQKAUXYNQF-MWLCHTKSSA-N 0 0 302.400 0.862 10 0 DCAERN O=C1CCCN1C[C@H](O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000247118745 287091349 /nfs/dbraw/zinc/09/13/49/287091349.db2.gz RPMXHTSUSHLJAG-NVXWUHKLSA-N 0 0 318.417 0.952 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000247144576 287091428 /nfs/dbraw/zinc/09/14/28/287091428.db2.gz RKORACBLRUVVSD-RDBSUJKOSA-N 0 0 321.421 0.795 10 0 DCAERN CC(C)N1CCC[C@@H](N2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000248358145 287096281 /nfs/dbraw/zinc/09/62/81/287096281.db2.gz QKEWIXCHTCEFFI-VXGBXAGGSA-N 0 0 303.428 0.009 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCN1C[C@H](C)O ZINC000248670789 287099505 /nfs/dbraw/zinc/09/95/05/287099505.db2.gz BDBBAQMWOOVEFH-HZSPNIEDSA-N 0 0 319.471 0.493 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000248657310 287099537 /nfs/dbraw/zinc/09/95/37/287099537.db2.gz XFLHYKVVFFAOGT-ZYHUDNBSSA-N 0 0 303.428 0.549 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CCCO[C@H]3C)C2=O)n(C)n1 ZINC000249616105 287116566 /nfs/dbraw/zinc/11/65/66/287116566.db2.gz POBGNWUALZHSFL-AVGNSLFASA-N 0 0 320.393 0.765 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@@H](C)O1 ZINC000252466385 287120549 /nfs/dbraw/zinc/12/05/49/287120549.db2.gz YIMMUJDHYSYUFI-WUHRBBMRSA-N 0 0 306.428 0.840 10 0 DCAERN CCn1c(N)c(C(=O)CN2C[C@H](C)CC[C@H]2C)c(=O)[nH]c1=O ZINC000253554506 287121579 /nfs/dbraw/zinc/12/15/79/287121579.db2.gz OUULJNSAXKACDM-NXEZZACHSA-N 0 0 308.382 0.854 10 0 DCAERN O=S1(=O)N=C(N2CCC(OCCCO)CC2)c2ccccc21 ZINC000301605846 287141370 /nfs/dbraw/zinc/14/13/70/287141370.db2.gz MPTWFIJRGDUBCH-UHFFFAOYSA-N 0 0 324.402 0.999 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@]2(CCOC2)O1 ZINC000330067111 287167625 /nfs/dbraw/zinc/16/76/25/287167625.db2.gz UEIMAAKYLCKFPD-FMKPAKJESA-N 0 0 310.394 0.794 10 0 DCAERN CS(=O)(=O)Cc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000358308889 287206515 /nfs/dbraw/zinc/20/65/15/287206515.db2.gz PGMZYEOELXPDSR-CQSZACIVSA-N 0 0 311.403 0.980 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000408355182 287233653 /nfs/dbraw/zinc/23/36/53/287233653.db2.gz LKTXEICOAAWZMB-WOPDTQHZSA-N 0 0 320.397 0.765 10 0 DCAERN COC(=O)c1ccc(NC(=O)N2CCN(C(C)=O)C[C@H]2C)nn1 ZINC000619632201 412379120 /nfs/dbraw/zinc/37/91/20/412379120.db2.gz YSRIUXVIROZTDV-SECBINFHSA-N 0 0 321.337 0.348 10 0 DCAERN CCCOc1nccnc1N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000624394191 412390601 /nfs/dbraw/zinc/39/06/01/412390601.db2.gz XGAZLVUAMMUOOF-VHSXEESVSA-N 0 0 301.368 0.489 10 0 DCAERN Cn1ccnc1N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000268246582 415183417 /nfs/dbraw/zinc/18/34/17/415183417.db2.gz WEADZPFOXAEFDY-LBPRGKRZSA-N 0 0 314.393 0.912 10 0 DCAERN CCN(C(=O)Cn1nc(C)c(N)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000040314914 415196427 /nfs/dbraw/zinc/19/64/27/415196427.db2.gz LTNATFRJWFUTJT-LLVKDONJSA-N 0 0 314.411 0.118 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CS(=O)(=O)C1CCCC1 ZINC000049602791 415309839 /nfs/dbraw/zinc/30/98/39/415309839.db2.gz BJFIUEPUFMEPMC-UHFFFAOYSA-N 0 0 318.439 0.717 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000274147054 415326126 /nfs/dbraw/zinc/32/61/26/415326126.db2.gz KKXCCKPTOLARPO-QWRGUYRKSA-N 0 0 311.407 0.865 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnn(C)c1Br ZINC000274254721 415342300 /nfs/dbraw/zinc/34/23/00/415342300.db2.gz UFIDMOZCNYVPMW-MRVPVSSYSA-N 0 0 315.171 0.533 10 0 DCAERN C[C@H](NC(=O)NCc1ccnn1C)C(=O)NCc1ccco1 ZINC000068378035 415395093 /nfs/dbraw/zinc/39/50/93/415395093.db2.gz ZYSKDNBKLNYBKD-JTQLQIEISA-N 0 0 305.338 0.517 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)c2cnnc(C)c2)CC1 ZINC000276102276 415429893 /nfs/dbraw/zinc/42/98/93/415429893.db2.gz SDVSUTZZCVBMBF-UHFFFAOYSA-N 0 0 312.395 0.329 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2CCNC(=O)CC2)c1 ZINC000073350278 415419939 /nfs/dbraw/zinc/41/99/39/415419939.db2.gz WGDUGTFBOSMFRR-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000073650910 415424912 /nfs/dbraw/zinc/42/49/12/415424912.db2.gz AHNKEFWLUDMJRR-KGLIPLIRSA-N 0 0 310.442 0.981 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@@H](C)n2cncn2)cn1 ZINC000275370210 415376250 /nfs/dbraw/zinc/37/62/50/415376250.db2.gz KUISTQMRKMPDSP-SCDSUCTJSA-N 0 0 317.349 0.889 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275879657 415383624 /nfs/dbraw/zinc/38/36/24/415383624.db2.gz YPRRGONWOARHRW-YNEHKIRRSA-N 0 0 320.393 0.290 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)CS(=O)(=O)NC ZINC000083599794 415487909 /nfs/dbraw/zinc/48/79/09/415487909.db2.gz NJTBDBDFDHWLEM-UHFFFAOYSA-N 0 0 300.380 0.593 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)Cc1cc(C)on1 ZINC000343184836 415489972 /nfs/dbraw/zinc/48/99/72/415489972.db2.gz ZLKSXDAHGCAEOI-NWDGAFQWSA-N 0 0 304.368 0.549 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CCS1(=O)=O ZINC000332877678 415501789 /nfs/dbraw/zinc/50/17/89/415501789.db2.gz DUMYAHOJYNKFGN-UWVGGRQHSA-N 0 0 312.395 0.096 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](C)C(C)C)CC1 ZINC000343111217 415455807 /nfs/dbraw/zinc/45/58/07/415455807.db2.gz HFCHFESOVKANTP-LBPRGKRZSA-N 0 0 311.426 0.769 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H]1CCSC1 ZINC000332729857 415458342 /nfs/dbraw/zinc/45/83/42/415458342.db2.gz IVSZGTQUCFRMKU-NXEZZACHSA-N 0 0 307.441 0.202 10 0 DCAERN COCC1(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CCC1 ZINC000332761844 415466141 /nfs/dbraw/zinc/46/61/41/415466141.db2.gz UNORXHIBUAJVOE-ZIAGYGMSSA-N 0 0 311.426 0.918 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccsc3)C[C@@H]21 ZINC000332754409 415467674 /nfs/dbraw/zinc/46/76/74/415467674.db2.gz FMKVMOINSCYWQJ-STQMWFEESA-N 0 0 323.418 0.409 10 0 DCAERN C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCCO1 ZINC000079235113 415472183 /nfs/dbraw/zinc/47/21/83/415472183.db2.gz BKGQYOIFLDNMDE-CHWSQXEVSA-N 0 0 312.414 0.017 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000276643221 415479599 /nfs/dbraw/zinc/47/95/99/415479599.db2.gz RAHSZGSWLWZJHP-MRVPVSSYSA-N 0 0 303.318 0.886 10 0 DCAERN Cc1ccsc1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000333025799 415534182 /nfs/dbraw/zinc/53/41/82/415534182.db2.gz ANYHHEWHQALLJQ-UHFFFAOYSA-N 0 0 301.393 0.455 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000091785393 415538745 /nfs/dbraw/zinc/53/87/45/415538745.db2.gz CHQOYVPUOXMSTI-YPMHNXCESA-N 0 0 304.346 0.656 10 0 DCAERN NC(=O)C1=CN(CCCCN2C=C(C(N)=O)C=CC2)CC=C1 ZINC000095934662 415562880 /nfs/dbraw/zinc/56/28/80/415562880.db2.gz CLBWITMNLVGACN-UHFFFAOYSA-N 0 0 302.378 0.249 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000333149595 415573529 /nfs/dbraw/zinc/57/35/29/415573529.db2.gz FCIXGZBZQRQFQC-YVECIDJPSA-N 0 0 316.423 0.773 10 0 DCAERN CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC(F)F ZINC000103488363 415615543 /nfs/dbraw/zinc/61/55/43/415615543.db2.gz HELDHIPPRDMFJY-UHFFFAOYSA-N 0 0 315.324 0.021 10 0 DCAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000103427788 415616982 /nfs/dbraw/zinc/61/69/82/415616982.db2.gz QKAQADFYFDOADG-UWVGGRQHSA-N 0 0 300.380 0.794 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)COC ZINC000103432726 415618643 /nfs/dbraw/zinc/61/86/43/415618643.db2.gz UJSCHJRBZFMGKD-SNVBAGLBSA-N 0 0 312.391 0.766 10 0 DCAERN CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000106894395 415650888 /nfs/dbraw/zinc/65/08/88/415650888.db2.gz QFBXODZOBVXING-MRVPVSSYSA-N 0 0 320.802 0.281 10 0 DCAERN NC(=O)N1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000104378703 415624013 /nfs/dbraw/zinc/62/40/13/415624013.db2.gz DQWHQGVCGQATQX-ZDUSSCGKSA-N 0 0 322.409 0.248 10 0 DCAERN C[C@H]1OCC[C@]1(O)CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000333364814 415626851 /nfs/dbraw/zinc/62/68/51/415626851.db2.gz YFTWALJXCHEJAX-UJDVCPFMSA-N 0 0 306.362 0.815 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCN(C3CC3)CC2)cn1 ZINC000333395622 415634612 /nfs/dbraw/zinc/63/46/12/415634612.db2.gz MWEBVULQFULRFZ-CABCVRRESA-N 0 0 319.409 0.740 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccnn1C ZINC000097142414 415586104 /nfs/dbraw/zinc/58/61/04/415586104.db2.gz YJJKVFCBQNISMH-SNVBAGLBSA-N 0 0 324.410 0.948 10 0 DCAERN CC(C)(CNC(=O)[C@H]1CCCCO1)N1CCS(=O)CC1 ZINC000333221837 415586865 /nfs/dbraw/zinc/58/68/65/415586865.db2.gz DUULRSZFDGAMLS-GFCCVEGCSA-N 0 0 302.440 0.515 10 0 DCAERN CN1C(=O)CC[C@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333495254 415668131 /nfs/dbraw/zinc/66/81/31/415668131.db2.gz RLEGPQUMCOKBOJ-VPOLOUISSA-N 0 0 300.380 0.242 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000333559837 415685266 /nfs/dbraw/zinc/68/52/66/415685266.db2.gz KSVYXCFEVGQMAN-RYUDHWBXSA-N 0 0 323.422 0.753 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCC(=O)NC2)cc1 ZINC000110906319 415686329 /nfs/dbraw/zinc/68/63/29/415686329.db2.gz XVFBJWSDUIHCRX-LLVKDONJSA-N 0 0 311.363 0.067 10 0 DCAERN Cc1c(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)nnn1-c1cnn(C)c1 ZINC000333577748 415688422 /nfs/dbraw/zinc/68/84/22/415688422.db2.gz QUGOWLZGZFWWNT-QWRGUYRKSA-N 0 0 317.397 0.474 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113228677 415716118 /nfs/dbraw/zinc/71/61/18/415716118.db2.gz RGGZXQNIHYGJPK-CHWSQXEVSA-N 0 0 302.440 0.752 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@@H](O)C3)O2)n1 ZINC000333707222 415720778 /nfs/dbraw/zinc/72/07/78/415720778.db2.gz LMKYQRKTBWGULA-UTUOFQBUSA-N 0 0 310.354 0.764 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)c1 ZINC000112068046 415705137 /nfs/dbraw/zinc/70/51/37/415705137.db2.gz JWAUVKHJUWRPST-LBPRGKRZSA-N 0 0 319.365 0.027 10 0 DCAERN COc1ccnc(N2CCN(CC[C@@H]3CCOC3=O)CC2)n1 ZINC000120226165 415760247 /nfs/dbraw/zinc/76/02/47/415760247.db2.gz OKOKWRURXZEKCX-GFCCVEGCSA-N 0 0 306.366 0.560 10 0 DCAERN C[C@@]1(O)C[C@H](NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000333923845 415766677 /nfs/dbraw/zinc/76/66/77/415766677.db2.gz SQDQWXGWITVWKZ-HEHGZKQESA-N 0 0 324.425 0.879 10 0 DCAERN Cn1cnc(CNC(=O)CCc2ccc3c(c2)OCCO3)n1 ZINC000120384628 415767299 /nfs/dbraw/zinc/76/72/99/415767299.db2.gz MWABAGBWDXCLNJ-UHFFFAOYSA-N 0 0 302.334 0.835 10 0 DCAERN NS(=O)(=O)N1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000290166898 415772542 /nfs/dbraw/zinc/77/25/42/415772542.db2.gz YAXUQEKTTLNZRQ-UHFFFAOYSA-N 0 0 311.407 0.549 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000119904662 415750285 /nfs/dbraw/zinc/75/02/85/415750285.db2.gz OLAUFPCQWSDGHL-CQSZACIVSA-N 0 0 323.441 0.944 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC000123137738 415840551 /nfs/dbraw/zinc/84/05/51/415840551.db2.gz MSJUMABSXAMQPL-ZDUSSCGKSA-N 0 0 309.410 0.572 10 0 DCAERN COCCN(CC(=O)Nc1cccc(C)c1)CC(=O)N(C)C ZINC000120658488 415779022 /nfs/dbraw/zinc/77/90/22/415779022.db2.gz SNPWPFSOONNFSG-UHFFFAOYSA-N 0 0 307.394 0.970 10 0 DCAERN COCCOc1cccc(CC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000124137193 415851088 /nfs/dbraw/zinc/85/10/88/415851088.db2.gz NVMMAOQHPPNNEI-AWEZNQCLSA-N 0 0 320.389 0.991 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000336812654 415819097 /nfs/dbraw/zinc/81/90/97/415819097.db2.gz RRVNVEVRQCLJRW-SECBINFHSA-N 0 0 307.803 0.855 10 0 DCAERN CCCCOC[C@H](O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000336833524 415827194 /nfs/dbraw/zinc/82/71/94/415827194.db2.gz OKAKMUQDNNZEEP-CQSZACIVSA-N 0 0 307.456 0.921 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000125442317 415867001 /nfs/dbraw/zinc/86/70/01/415867001.db2.gz OEBUAQSABZZGHT-UHFFFAOYSA-N 0 0 302.216 0.513 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000131059572 415928413 /nfs/dbraw/zinc/92/84/13/415928413.db2.gz YONVWYAGXWEJAR-LBPRGKRZSA-N 0 0 303.428 0.708 10 0 DCAERN COc1cc(CNC(=O)c2cc(C(N)=O)cn2C)ccc1O ZINC000125415011 415867270 /nfs/dbraw/zinc/86/72/70/415867270.db2.gz XUTWPJFJNGJIGH-UHFFFAOYSA-N 0 0 303.318 0.768 10 0 DCAERN O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000126354733 415872569 /nfs/dbraw/zinc/87/25/69/415872569.db2.gz IFLBYFRZRZXWRY-CHWSQXEVSA-N 0 0 316.423 0.486 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000295594843 415899827 /nfs/dbraw/zinc/89/98/27/415899827.db2.gz KVBCPXBYEKQTJE-UPJWGTAASA-N 0 0 316.357 0.956 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000356421291 415918885 /nfs/dbraw/zinc/91/88/85/415918885.db2.gz MHENKIGDVHGZGC-SNVBAGLBSA-N 0 0 313.379 0.403 10 0 DCAERN C[C@H](c1ccccc1)N(CC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000130835059 415923839 /nfs/dbraw/zinc/92/38/39/415923839.db2.gz XWQNAHPXQQKMPZ-ZBFHGGJFSA-N 0 0 321.421 0.228 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000125303109 415863369 /nfs/dbraw/zinc/86/33/69/415863369.db2.gz XAHQYONSEASLOL-GFCCVEGCSA-N 0 0 318.439 0.543 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)ccc1C ZINC000125345222 415864368 /nfs/dbraw/zinc/86/43/68/415864368.db2.gz ADEBVVKZWAPEOP-LLVKDONJSA-N 0 0 303.362 0.843 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cc[nH]c(=O)c3)CCO2)[nH]1 ZINC000133125475 415940154 /nfs/dbraw/zinc/94/01/54/415940154.db2.gz OKXANHFOMALPTM-SNVBAGLBSA-N 0 0 303.322 0.269 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000133097763 415940600 /nfs/dbraw/zinc/94/06/00/415940600.db2.gz WHMFGPNBPCVWSV-LLVKDONJSA-N 0 0 304.354 0.138 10 0 DCAERN Cc1cccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)NC3=O)c21 ZINC000134155103 415956314 /nfs/dbraw/zinc/95/63/14/415956314.db2.gz JTDIEUNJZCRVKO-LBPRGKRZSA-N 0 0 314.345 0.733 10 0 DCAERN Cc1cc(CN2CCN(C(=O)N[C@H]3CCO[C@H]3C)CC2)on1 ZINC000134369437 415956672 /nfs/dbraw/zinc/95/66/72/415956672.db2.gz HYXODGIXEOVZEA-JSGCOSHPSA-N 0 0 308.382 0.988 10 0 DCAERN Cc1cc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)n(C)n1 ZINC000150895850 415961830 /nfs/dbraw/zinc/96/18/30/415961830.db2.gz SUKYKRMQWJXAIZ-UHFFFAOYSA-N 0 0 300.384 0.769 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000152850798 415972054 /nfs/dbraw/zinc/97/20/54/415972054.db2.gz RGVFFNQILIBRDW-OCCSQVGLSA-N 0 0 303.362 0.885 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCNC(=O)CC1 ZINC000153192604 415977621 /nfs/dbraw/zinc/97/76/21/415977621.db2.gz NJWIUWNRDAMUKC-LBPRGKRZSA-N 0 0 303.366 0.192 10 0 DCAERN Cn1cc(CNC(=O)c2ccc(=O)n(C)n2)c(C(F)(F)F)n1 ZINC000153952865 415990300 /nfs/dbraw/zinc/99/03/00/415990300.db2.gz ZYNYZYPKOHIUHW-UHFFFAOYSA-N 0 0 315.255 0.463 10 0 DCAERN COCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000155194677 415994462 /nfs/dbraw/zinc/99/44/62/415994462.db2.gz PELIVHLIQQNRSZ-GFCCVEGCSA-N 0 0 322.413 0.727 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCn1cc(C)cn1 ZINC000155316252 415996130 /nfs/dbraw/zinc/99/61/30/415996130.db2.gz VQLIEDNJLHZISZ-LBPRGKRZSA-N 0 0 318.381 0.971 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC)CC2 ZINC000158590832 415998924 /nfs/dbraw/zinc/99/89/24/415998924.db2.gz FVLPPALBQABTEW-GHMZBOCLSA-N 0 0 320.397 0.075 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000357208885 416045262 /nfs/dbraw/zinc/04/52/62/416045262.db2.gz WVBHOQGRYHJISL-NEPJUHHUSA-N 0 0 303.428 0.516 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000172371113 416045978 /nfs/dbraw/zinc/04/59/78/416045978.db2.gz JMOMEIWNADCORS-NSHDSACASA-N 0 0 304.412 0.328 10 0 DCAERN Cc1ccc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cn1 ZINC000172379145 416046001 /nfs/dbraw/zinc/04/60/01/416046001.db2.gz ARRPDIZPPCKYFL-LBPRGKRZSA-N 0 0 311.407 0.761 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000172332910 416046262 /nfs/dbraw/zinc/04/62/62/416046262.db2.gz QFXFKSDQUSUHHC-GHMZBOCLSA-N 0 0 309.370 0.695 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750389 416047374 /nfs/dbraw/zinc/04/73/74/416047374.db2.gz QTTGTOYOVXARSH-LSDHHAIUSA-N 0 0 323.437 0.711 10 0 DCAERN C[C@H](C(=O)Nc1cn(C)c(=O)n(C)c1=O)c1ccccc1F ZINC000173082812 416052406 /nfs/dbraw/zinc/05/24/06/416052406.db2.gz PYFROZCXJFRLIM-VIFPVBQESA-N 0 0 305.309 0.965 10 0 DCAERN CCN(CC)C(=O)CN(C)Cc1csc(CC(=O)NC)n1 ZINC000173179679 416054593 /nfs/dbraw/zinc/05/45/93/416054593.db2.gz HPWKWZYVFIMWAU-UHFFFAOYSA-N 0 0 312.439 0.732 10 0 DCAERN CC(C)N(C)S(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173416467 416056949 /nfs/dbraw/zinc/05/69/49/416056949.db2.gz VSZCVQNHXDELLQ-LBPRGKRZSA-N 0 0 315.443 0.564 10 0 DCAERN CC(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000357297407 416058441 /nfs/dbraw/zinc/05/84/41/416058441.db2.gz CNCCGROVQSVHKJ-GXSJLCMTSA-N 0 0 307.316 0.702 10 0 DCAERN COCc1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)no1 ZINC000173807444 416065936 /nfs/dbraw/zinc/06/59/36/416065936.db2.gz VUDGPWHBFJWJAW-LLVKDONJSA-N 0 0 319.365 0.953 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000173864030 416068703 /nfs/dbraw/zinc/06/87/03/416068703.db2.gz BFYNAHBOYNWZNB-GXFFZTMASA-N 0 0 303.362 0.820 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CC[C@H](OC)C1 ZINC000300555893 416072853 /nfs/dbraw/zinc/07/28/53/416072853.db2.gz XCHJOUDOCOZDPN-YFKTTZPYSA-N 0 0 305.396 0.815 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174206545 416076626 /nfs/dbraw/zinc/07/66/26/416076626.db2.gz QHAXTOKXDIWPKF-GJZGRUSLSA-N 0 0 312.410 0.220 10 0 DCAERN C[C@@H](CN1Cc2ccccc2C[C@H]1C(N)=O)CS(C)(=O)=O ZINC000162591870 416014211 /nfs/dbraw/zinc/01/42/11/416014211.db2.gz QGJJQJJVILRTLL-FZMZJTMJSA-N 0 0 310.419 0.579 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000169071580 416025955 /nfs/dbraw/zinc/02/59/55/416025955.db2.gz NOLMMUZSDUPLLV-JTQLQIEISA-N 0 0 324.324 0.825 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NCCOCCO)CC2=O)cc1 ZINC000170565832 416027377 /nfs/dbraw/zinc/02/73/77/416027377.db2.gz SPZXIXZGZPTMDO-CYBMUJFWSA-N 0 0 306.362 0.473 10 0 DCAERN CCOCCS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000170664547 416028180 /nfs/dbraw/zinc/02/81/80/416028180.db2.gz BDAXZEMLLQGOCA-ZDUSSCGKSA-N 0 0 320.455 0.538 10 0 DCAERN C[C@H](CNC(=O)NCCc1cccc(O)c1)N1CCOCC1 ZINC000170696520 416028219 /nfs/dbraw/zinc/02/82/19/416028219.db2.gz GXXUJRUMWYEFPL-CYBMUJFWSA-N 0 0 307.394 0.955 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000170823320 416033266 /nfs/dbraw/zinc/03/32/66/416033266.db2.gz CUUJCAMAUROHQH-GXFFZTMASA-N 0 0 316.361 0.086 10 0 DCAERN COC(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000171423162 416037950 /nfs/dbraw/zinc/03/79/50/416037950.db2.gz RXSPXHLCASIAFS-UHFFFAOYSA-N 0 0 309.713 0.561 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338368651 416086225 /nfs/dbraw/zinc/08/62/25/416086225.db2.gz HLCJAODPFPWGKP-OIISXLGYSA-N 0 0 321.373 0.729 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1=O ZINC000174945994 416092180 /nfs/dbraw/zinc/09/21/80/416092180.db2.gz MTFKKINVBLMENI-CHWSQXEVSA-N 0 0 320.397 0.634 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-n2cnnn2)cc1 ZINC000178092729 416155526 /nfs/dbraw/zinc/15/55/26/416155526.db2.gz HRHMEZGBVWQNKJ-OAHLLOKOSA-N 0 0 317.349 0.181 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000175018202 416093877 /nfs/dbraw/zinc/09/38/77/416093877.db2.gz BXCHPZYJDWBFHO-CHWSQXEVSA-N 0 0 320.393 0.767 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000175170516 416099135 /nfs/dbraw/zinc/09/91/35/416099135.db2.gz QCBAMBCPTRZPPN-GFCCVEGCSA-N 0 0 302.400 0.670 10 0 DCAERN COC(=O)[C@H]1CCCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000175372737 416103857 /nfs/dbraw/zinc/10/38/57/416103857.db2.gz MWQQJHHDTFVNOO-CYBMUJFWSA-N 0 0 317.345 0.884 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000345502375 416104374 /nfs/dbraw/zinc/10/43/74/416104374.db2.gz FTBJDIOZGAPJGR-STQMWFEESA-N 0 0 302.334 0.489 10 0 DCAERN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@](O)(CO)C1 ZINC000313710349 416110726 /nfs/dbraw/zinc/11/07/26/416110726.db2.gz FDXJUIMMBQLYSH-SNVBAGLBSA-N 0 0 311.812 0.909 10 0 DCAERN Cc1nnc([C@@H]2CN(c3cc(=O)n4ccccc4n3)CCO2)[nH]1 ZINC000175776434 416113774 /nfs/dbraw/zinc/11/37/74/416113774.db2.gz BXQZPXLEZKFIHW-NSHDSACASA-N 0 0 312.333 0.699 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000175873039 416114716 /nfs/dbraw/zinc/11/47/16/416114716.db2.gz MTQRHBBJCYBUJR-UHFFFAOYSA-N 0 0 323.397 0.370 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1nccn1C(F)F ZINC000175906900 416115690 /nfs/dbraw/zinc/11/56/90/416115690.db2.gz JPNJNYHHUJIUFW-UHFFFAOYSA-N 0 0 324.353 0.518 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@H](C)C[C@@H](C)O)cc1 ZINC000176135463 416120274 /nfs/dbraw/zinc/12/02/74/416120274.db2.gz CXFBCYYRQLNKPH-VXGBXAGGSA-N 0 0 308.378 0.948 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)Nc2ccon2)C1 ZINC000328655961 416125267 /nfs/dbraw/zinc/12/52/67/416125267.db2.gz YVVNTZVSFOKXSH-NSHDSACASA-N 0 0 302.338 1.203 10 0 DCAERN COC[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000176400861 416126336 /nfs/dbraw/zinc/12/63/36/416126336.db2.gz NOGSOCOYNOMJBN-STQMWFEESA-N 0 0 309.414 0.971 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCn3ccnc32)C[C@@H]1N1CCOCC1 ZINC000176475799 416126796 /nfs/dbraw/zinc/12/67/96/416126796.db2.gz GBANHJNCHBZVNP-KFWWJZLASA-N 0 0 318.421 0.940 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)c2cccc(F)c2)C1 ZINC000176509768 416127714 /nfs/dbraw/zinc/12/77/14/416127714.db2.gz RMLCKLIPMNRAST-UHFFFAOYSA-N 0 0 324.352 0.819 10 0 DCAERN O=C(NC1CCN(c2cccs2)CC1)N1CCNC(=O)C1 ZINC000176618785 416129847 /nfs/dbraw/zinc/12/98/47/416129847.db2.gz FJZYKDVZPKMOTN-UHFFFAOYSA-N 0 0 308.407 0.858 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@@H](C)Cn2cccn2)[C@@H](C)C1 ZINC000357804071 416135179 /nfs/dbraw/zinc/13/51/79/416135179.db2.gz YZLJVLRUJVMQLX-OLZOCXBDSA-N 0 0 307.398 0.781 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328856927 416135597 /nfs/dbraw/zinc/13/55/97/416135597.db2.gz DBVKEACYQJVDGB-KFWWJZLASA-N 0 0 309.410 0.319 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328874398 416135686 /nfs/dbraw/zinc/13/56/86/416135686.db2.gz JKAREAARDAWMFP-HZSPNIEDSA-N 0 0 323.437 0.565 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000357829817 416137981 /nfs/dbraw/zinc/13/79/81/416137981.db2.gz PLZRESQOXIUNOI-LLVKDONJSA-N 0 0 308.386 0.962 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCOC(C)(C)[C@H]2C)C1 ZINC000357834417 416140102 /nfs/dbraw/zinc/14/01/02/416140102.db2.gz LACOFOSUDPDQKD-VXGBXAGGSA-N 0 0 312.414 0.999 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C)(O)CC1)CC2 ZINC000177516770 416146625 /nfs/dbraw/zinc/14/66/25/416146625.db2.gz OIPDOCVDVQGGKF-NSHDSACASA-N 0 0 307.398 0.712 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@@H](C)CCCO)CC2)n1 ZINC000177705847 416149430 /nfs/dbraw/zinc/14/94/30/416149430.db2.gz BEYQQHJGYBMPLL-LBPRGKRZSA-N 0 0 322.409 0.979 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)[C@H](C)C1 ZINC000357905829 416150186 /nfs/dbraw/zinc/15/01/86/416150186.db2.gz DGYBKDILXXGNAV-CYBMUJFWSA-N 0 0 317.389 0.425 10 0 DCAERN O=S(=O)(Cc1csc(-c2ccco2)n1)C[C@@H](O)CO ZINC000177673708 416150526 /nfs/dbraw/zinc/15/05/26/416150526.db2.gz DZIPBJHTFLFJRQ-VIFPVBQESA-N 0 0 303.361 0.671 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC000177833862 416152895 /nfs/dbraw/zinc/15/28/95/416152895.db2.gz LLSOGFUBWJSKHL-LBPRGKRZSA-N 0 0 306.428 0.541 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000177796444 416153198 /nfs/dbraw/zinc/15/31/98/416153198.db2.gz DPVISPVFYVRIOY-VHSXEESVSA-N 0 0 308.382 0.846 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177878044 416155033 /nfs/dbraw/zinc/15/50/33/416155033.db2.gz TWHXYGDVJAWDHS-BZPMIXESSA-N 0 0 318.439 0.756 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](COC)OC)C1 ZINC000358407820 416233012 /nfs/dbraw/zinc/23/30/12/416233012.db2.gz VUUXFCRSYUWWNB-NEPJUHHUSA-N 0 0 301.387 0.348 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1CN2CCN1CC2)C(C)C ZINC000178650556 416167322 /nfs/dbraw/zinc/16/73/22/416167322.db2.gz HYUMQMQDRZSZRT-ZBFHGGJFSA-N 0 0 324.469 0.289 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H](C(=O)NC)C(C)C)CC1=O ZINC000178692686 416169034 /nfs/dbraw/zinc/16/90/34/416169034.db2.gz QCEYEZGAFNGMJN-OBJOEFQTSA-N 0 0 311.426 0.910 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C(C)C ZINC000178690032 416169598 /nfs/dbraw/zinc/16/95/98/416169598.db2.gz MQVSIHZTMVXGOW-HNNXBMFYSA-N 0 0 311.426 0.960 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151092162 196628824 /nfs/dbraw/zinc/62/88/24/196628824.db2.gz OQDWCNXXLXFXRB-OCCSQVGLSA-N 0 0 316.423 0.176 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C)c(C(N)=O)c1)C(C)C ZINC000178937965 416177719 /nfs/dbraw/zinc/17/77/19/416177719.db2.gz PIZLHRYGCODPEN-GFCCVEGCSA-N 0 0 306.366 0.986 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)C ZINC000178953270 416177944 /nfs/dbraw/zinc/17/79/44/416177944.db2.gz BDOHAMYSPZWNCT-LBPRGKRZSA-N 0 0 310.402 0.337 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(C)C ZINC000178939832 416178403 /nfs/dbraw/zinc/17/84/03/416178403.db2.gz VSIYLWNDDKXZIR-NSHDSACASA-N 0 0 310.329 0.817 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178966255 416179926 /nfs/dbraw/zinc/17/99/26/416179926.db2.gz SPFDPENRKVEOAJ-AWEZNQCLSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000179163872 416182911 /nfs/dbraw/zinc/18/29/11/416182911.db2.gz RUMVJNFTIXUTOL-NQBHXWOUSA-N 0 0 306.366 0.741 10 0 DCAERN COc1cccc(CN(C)C(=O)CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000179181924 416184219 /nfs/dbraw/zinc/18/42/19/416184219.db2.gz SBEBKJZONAKAKC-ZIAGYGMSSA-N 0 0 308.378 0.081 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000179378510 416186944 /nfs/dbraw/zinc/18/69/44/416186944.db2.gz MYIRQUSFXKZIAL-MRVPVSSYSA-N 0 0 314.309 0.667 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179357292 416187170 /nfs/dbraw/zinc/18/71/70/416187170.db2.gz LTACBQJFYDAGPN-LLVKDONJSA-N 0 0 314.411 0.929 10 0 DCAERN CCO[C@H]1C[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C12CCCC2 ZINC000179513943 416188737 /nfs/dbraw/zinc/18/87/37/416188737.db2.gz QHVZZLDNIYLPOE-OLZOCXBDSA-N 0 0 322.409 0.778 10 0 DCAERN CC(C)CNC(=O)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180283086 416195826 /nfs/dbraw/zinc/19/58/26/416195826.db2.gz UVDLYLLAJZSQGY-UHFFFAOYSA-N 0 0 320.440 0.291 10 0 DCAERN COC(=O)C[C@@H]1CN(Cc2nnc(C3CCC3)n2C)CCO1 ZINC000181414617 416208330 /nfs/dbraw/zinc/20/83/30/416208330.db2.gz ZFZCGJLJADHOQN-GFCCVEGCSA-N 0 0 308.382 0.847 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)Cc2cccc(O)c2)cn1 ZINC000181444525 416208372 /nfs/dbraw/zinc/20/83/72/416208372.db2.gz PWNUPPNMBZUZLB-HNNXBMFYSA-N 0 0 300.362 0.841 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1)C(C)C ZINC000181570226 416209667 /nfs/dbraw/zinc/20/96/67/416209667.db2.gz RBOVYQAYXBAKFP-ZIAGYGMSSA-N 0 0 307.394 0.660 10 0 DCAERN Cn1cnn(CC(=O)Nc2nc(-c3ccccn3)cs2)c1=O ZINC000181666630 416210415 /nfs/dbraw/zinc/21/04/15/416210415.db2.gz OMIFEOMOWFPRQE-UHFFFAOYSA-N 0 0 316.346 0.739 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)C(C)C ZINC000181570191 416210505 /nfs/dbraw/zinc/21/05/05/416210505.db2.gz RBOVYQAYXBAKFP-UONOGXRCSA-N 0 0 307.394 0.660 10 0 DCAERN O=C(CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)NCC1CC1 ZINC000182040597 416213194 /nfs/dbraw/zinc/21/31/94/416213194.db2.gz ADXJOHVDAYIORA-CZUORRHYSA-N 0 0 309.410 0.849 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)C2 ZINC000182208828 416216427 /nfs/dbraw/zinc/21/64/27/416216427.db2.gz ROKBXDWMEPXKGY-IAQYHMDHSA-N 0 0 300.362 0.940 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H](C)C2 ZINC000182194296 416216459 /nfs/dbraw/zinc/21/64/59/416216459.db2.gz FYTCMUFIXYHXRX-MEBBXXQBSA-N 0 0 313.361 0.735 10 0 DCAERN COCc1nc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387252 416221569 /nfs/dbraw/zinc/22/15/69/416221569.db2.gz BZWHBKMBBUUYNJ-GFCCVEGCSA-N 0 0 324.381 0.287 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000330643964 416221831 /nfs/dbraw/zinc/22/18/31/416221831.db2.gz YGZMQILAJMVMMU-BFHYXJOUSA-N 0 0 314.426 0.662 10 0 DCAERN COc1ccc(CCNC(=O)N2CC(=O)N(C)C2)cc1OC ZINC000358334992 416224562 /nfs/dbraw/zinc/22/45/62/416224562.db2.gz GNWBHIPMNGPNFB-UHFFFAOYSA-N 0 0 307.350 0.687 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](CO)C2CC2)cc1-n1cnnn1 ZINC000358335456 416224842 /nfs/dbraw/zinc/22/48/42/416224842.db2.gz HQVRNVWNJVSZMN-LBPRGKRZSA-N 0 0 317.349 0.419 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC(C)(CO)CC2)n1 ZINC000358367867 416229451 /nfs/dbraw/zinc/22/94/51/416229451.db2.gz RNEOXAPBFWGHKB-UHFFFAOYSA-N 0 0 323.397 0.593 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000341754302 416231525 /nfs/dbraw/zinc/23/15/25/416231525.db2.gz NYJDHXAVZAUPGL-PFSRBDOWSA-N 0 0 324.421 0.897 10 0 DCAERN COC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000339696727 416163436 /nfs/dbraw/zinc/16/34/36/416163436.db2.gz DQWXKZOZFCTSRG-MNOVXSKESA-N 0 0 300.380 0.462 10 0 DCAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC(C)(CO)CO)c1 ZINC000183523868 416243631 /nfs/dbraw/zinc/24/36/31/416243631.db2.gz SDDLCOAMZCJOEC-MFKMUULPSA-N 0 0 306.362 0.754 10 0 DCAERN C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1N1CCOCC1 ZINC000183591250 416247592 /nfs/dbraw/zinc/24/75/92/416247592.db2.gz KAMNJGQZHQHJQQ-CZUORRHYSA-N 0 0 318.421 0.940 10 0 DCAERN O=C(Cn1cccn1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183726123 416248533 /nfs/dbraw/zinc/24/85/33/416248533.db2.gz ONLIYTVEMRMEQK-UHFFFAOYSA-N 0 0 319.340 0.570 10 0 DCAERN CCc1cccc2c(CC(=O)N[C@@H](CO)C(=O)OC)c[nH]c21 ZINC000183959859 416249665 /nfs/dbraw/zinc/24/96/65/416249665.db2.gz YKTAWGGXINQHLX-ZDUSSCGKSA-N 0 0 304.346 0.923 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000186662449 416258490 /nfs/dbraw/zinc/25/84/90/416258490.db2.gz WYJPBQGSCROMRM-RYUDHWBXSA-N 0 0 308.382 0.628 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CCS1(=O)=O ZINC000187915827 416261995 /nfs/dbraw/zinc/26/19/95/416261995.db2.gz COPZJOWGORKKDP-DDHJBXDOSA-N 0 0 302.396 0.382 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2C)C1 ZINC000189544939 416265326 /nfs/dbraw/zinc/26/53/26/416265326.db2.gz HBRMECKVQCVGPI-CQSZACIVSA-N 0 0 320.389 0.989 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@H](COC)O[C@@H](C)C2)cs1 ZINC000189451050 416266157 /nfs/dbraw/zinc/26/61/57/416266157.db2.gz GXLCSJQIOHMYKP-CMPLNLGQSA-N 0 0 313.423 0.667 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000331125384 416269555 /nfs/dbraw/zinc/26/95/55/416269555.db2.gz DASUQLLBUDXHEF-ZDUSSCGKSA-N 0 0 324.402 0.976 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NCc1cc(C(N)=O)co1 ZINC000190276302 416277628 /nfs/dbraw/zinc/27/76/28/416277628.db2.gz IWQIYAIRYIHXIE-UHFFFAOYSA-N 0 0 324.381 0.826 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183365896 416239393 /nfs/dbraw/zinc/23/93/93/416239393.db2.gz LVEPWOQRTGKWOI-LLVKDONJSA-N 0 0 307.398 0.847 10 0 DCAERN CCC[C@](C)(O)CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000359126124 416307006 /nfs/dbraw/zinc/30/70/06/416307006.db2.gz WGPNHSBXPPSFML-AWEZNQCLSA-N 0 0 314.407 0.876 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCCCCCO)C2)cn1 ZINC000193081506 416313627 /nfs/dbraw/zinc/31/36/27/416313627.db2.gz GILBGXCTFOBILX-CYBMUJFWSA-N 0 0 309.414 0.851 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccoc2Br)C[C@@H](C(N)=O)O1 ZINC000193704617 416318994 /nfs/dbraw/zinc/31/89/94/416318994.db2.gz FTESNNOAFSRPNT-SVRRBLITSA-N 0 0 317.139 0.757 10 0 DCAERN CC1(C)CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C(F)(F)F ZINC000190649387 416282002 /nfs/dbraw/zinc/28/20/02/416282002.db2.gz BJJNWTSMCHXPBM-QMMMGPOBSA-N 0 0 321.299 0.975 10 0 DCAERN Cn1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)ccc1=O ZINC000194028451 416321705 /nfs/dbraw/zinc/32/17/05/416321705.db2.gz GKNKFCJAZHLZDK-UHFFFAOYSA-N 0 0 307.331 0.285 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1c[nH]c(=O)c2ccccc12 ZINC000191600828 416287656 /nfs/dbraw/zinc/28/76/56/416287656.db2.gz LPWOILVBGOEVQD-SNVBAGLBSA-N 0 0 309.329 0.864 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000191685262 416288210 /nfs/dbraw/zinc/28/82/10/416288210.db2.gz XVMZLHZNHBWCIU-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H](c1nnnn1C1CC1)N1CCN(c2cccnn2)CC1 ZINC000191981539 416293848 /nfs/dbraw/zinc/29/38/48/416293848.db2.gz NOTORUMYAUXCHP-NSHDSACASA-N 0 0 300.370 0.681 10 0 DCAERN NCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1 ZINC000262124576 416336198 /nfs/dbraw/zinc/33/61/98/416336198.db2.gz CJRJGMFTXCZJFP-LBPRGKRZSA-N 0 0 301.350 0.592 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H](CO)CC1CCC1 ZINC000359340706 416342575 /nfs/dbraw/zinc/34/25/75/416342575.db2.gz LMOGBSMYVQGHNQ-CZUORRHYSA-N 0 0 308.378 0.267 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](O)C2)c1 ZINC000359379660 416344387 /nfs/dbraw/zinc/34/43/87/416344387.db2.gz BECHRENZAWLSDU-IINYFYTJSA-N 0 0 319.361 0.447 10 0 DCAERN COCCN1C[C@@H](C(=O)Nc2nccn2CC(C)C)CC1=O ZINC000194956958 416325113 /nfs/dbraw/zinc/32/51/13/416325113.db2.gz QGMGWAOVQQOKLO-LBPRGKRZSA-N 0 0 308.382 0.973 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000195150116 416325563 /nfs/dbraw/zinc/32/55/63/416325563.db2.gz KNICDJSWYQRREH-QWRGUYRKSA-N 0 0 312.391 0.725 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1F ZINC000195487515 416326573 /nfs/dbraw/zinc/32/65/73/416326573.db2.gz IZDDAUCGJIDAHA-RNCFNFMXSA-N 0 0 321.352 0.967 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000246606878 416332084 /nfs/dbraw/zinc/33/20/84/416332084.db2.gz RDHSQNNCVLPOCL-PGUXBMHVSA-N 0 0 314.345 0.938 10 0 DCAERN C[C@@](O)(CNS(=O)(=O)N1CCOCC1)C1CCCCC1 ZINC000360109701 416370911 /nfs/dbraw/zinc/37/09/11/416370911.db2.gz YXJLFWAXYFJYSX-CYBMUJFWSA-N 0 0 306.428 0.484 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(NC[C@](C)(O)CO)c1 ZINC000360123124 416372673 /nfs/dbraw/zinc/37/26/73/416372673.db2.gz OAMBCQVEYSDEGR-ZDUSSCGKSA-N 0 0 301.364 0.448 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@H](CO)C1CC1 ZINC000359815479 416360264 /nfs/dbraw/zinc/36/02/64/416360264.db2.gz BHSXIHGUYJTRPM-GFCCVEGCSA-N 0 0 318.377 0.729 10 0 DCAERN C[C@H](C(=O)NC[C@H](CO)C1CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000359819833 416360841 /nfs/dbraw/zinc/36/08/41/416360841.db2.gz IYMYNIBCEFEKGL-ZZVYKPCYSA-N 0 0 322.405 0.685 10 0 DCAERN COc1ccc(CNC(=O)NC[C@@H](CO)C2CC2)c(OC)n1 ZINC000360846373 416413725 /nfs/dbraw/zinc/41/37/25/416413725.db2.gz QPKOLFDOQHMJQB-LBPRGKRZSA-N 0 0 309.366 0.917 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000360852747 416414654 /nfs/dbraw/zinc/41/46/54/416414654.db2.gz IBNWYWVHFCOTFQ-LLVKDONJSA-N 0 0 311.304 0.611 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000360205421 416379077 /nfs/dbraw/zinc/37/90/77/416379077.db2.gz AZJZBASVANWOEP-GXTWGEPZSA-N 0 0 317.455 0.811 10 0 DCAERN NC(=O)N1CCC[C@H](CNC(=O)Cn2ncc3ccccc32)C1 ZINC000360254835 416382490 /nfs/dbraw/zinc/38/24/90/416382490.db2.gz DWJTXYLVSXXJMF-GFCCVEGCSA-N 0 0 315.377 0.943 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(F)(F)[C@H](CO)C2)C1 ZINC000360285922 416384408 /nfs/dbraw/zinc/38/44/08/416384408.db2.gz VKCNCRUQKCXBRV-QWRGUYRKSA-N 0 0 312.382 0.913 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000360308139 416385204 /nfs/dbraw/zinc/38/52/04/416385204.db2.gz HGTWYBKDLJGPSF-UTLUCORTSA-N 0 0 320.336 0.994 10 0 DCAERN COCCOCc1ccc(C(=O)N(C)Cc2nnnn2C)cc1 ZINC000360331359 416386015 /nfs/dbraw/zinc/38/60/15/416386015.db2.gz BYVSSYBCAIGHTE-UHFFFAOYSA-N 0 0 319.365 0.645 10 0 DCAERN CO[C@]1(CNC(=O)N2CCSC[C@@H]2CCO)CCOC1 ZINC000360472161 416392078 /nfs/dbraw/zinc/39/20/78/416392078.db2.gz FASURFBJZSDKBK-AAEUAGOBSA-N 0 0 304.412 0.301 10 0 DCAERN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC(=O)N(C)C1 ZINC000360493120 416393149 /nfs/dbraw/zinc/39/31/49/416393149.db2.gz VQBQZQKBFQFRTP-RYUDHWBXSA-N 0 0 305.378 0.992 10 0 DCAERN CCSCC[C@@H](C)NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458478000 416473196 /nfs/dbraw/zinc/47/31/96/416473196.db2.gz WJLNDGWZIZJFPH-MNOVXSKESA-N 0 0 301.416 0.470 10 0 DCAERN COC[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)CC(C)(C)O1 ZINC000583617349 416478425 /nfs/dbraw/zinc/47/84/25/416478425.db2.gz XOTHMYGESBIZOX-ZDUSSCGKSA-N 0 0 308.378 0.809 10 0 DCAERN CN1C[C@H](NC(=O)c2cncnc2N)CC[C@@H]1C(F)(F)F ZINC000583620080 416480076 /nfs/dbraw/zinc/48/00/76/416480076.db2.gz UXDYNAHTFYWVIU-VXNVDRBHSA-N 0 0 303.288 0.814 10 0 DCAERN CN1CCN(C(=O)NC[C@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 ZINC000583623255 416480196 /nfs/dbraw/zinc/48/01/96/416480196.db2.gz XLGNSZVGMQMLAM-CHWSQXEVSA-N 0 0 307.398 0.977 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000361749245 416488955 /nfs/dbraw/zinc/48/89/55/416488955.db2.gz JOPLHOQVGJDHJV-NSHDSACASA-N 0 0 322.413 0.638 10 0 DCAERN Cc1noc(CNC(=O)N2CCC[C@](O)(C(F)(F)F)C2)n1 ZINC000361193868 416424759 /nfs/dbraw/zinc/42/47/59/416424759.db2.gz LBJASRAMSIEWCT-SNVBAGLBSA-N 0 0 308.260 0.977 10 0 DCAERN Cc1onc(-c2ccncc2)c1C(=O)N(C)Cc1nnnn1C ZINC000361316775 416429824 /nfs/dbraw/zinc/42/98/24/416429824.db2.gz UVODEDHKLOTUEN-UHFFFAOYSA-N 0 0 313.321 0.841 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000532735748 416453059 /nfs/dbraw/zinc/45/30/59/416453059.db2.gz YUOOQYMHAITBQH-MELADBBJSA-N 0 0 301.383 0.570 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000532735744 416453296 /nfs/dbraw/zinc/45/32/96/416453296.db2.gz YUOOQYMHAITBQH-BFHYXJOUSA-N 0 0 301.383 0.570 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)N2CC(=O)N(C)C2)cn1 ZINC000361911126 416521423 /nfs/dbraw/zinc/52/14/23/416521423.db2.gz HZHUOMJXFOSCED-SECBINFHSA-N 0 0 305.338 0.187 10 0 DCAERN O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CC(n2ccnn2)C1 ZINC000361926065 416523606 /nfs/dbraw/zinc/52/36/06/416523606.db2.gz VBHCGQJCNLWADZ-RKDXNWHRSA-N 0 0 317.271 0.119 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)c2ccccc2)C1 ZINC000459127231 416526725 /nfs/dbraw/zinc/52/67/25/416526725.db2.gz ZOPSRHNRIQWLTI-RDBSUJKOSA-N 0 0 305.378 0.716 10 0 DCAERN CN1CCC[C@@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1=O ZINC000362093168 416561918 /nfs/dbraw/zinc/56/19/18/416561918.db2.gz IDRIFLQHRRJILL-VXGBXAGGSA-N 0 0 322.340 0.272 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCc2nc(C)oc2C)C1 ZINC000536233749 416535502 /nfs/dbraw/zinc/53/55/02/416535502.db2.gz QWBYOPVYYVXGPT-GFCCVEGCSA-N 0 0 323.397 0.937 10 0 DCAERN O=C(c1ccc2n[nH]c(=O)n2c1)N1CCSC[C@H]1CCO ZINC000536648505 416547447 /nfs/dbraw/zinc/54/74/47/416547447.db2.gz USOIJFWHHWOSTQ-SNVBAGLBSA-N 0 0 308.363 0.375 10 0 DCAERN CC[C@H](NC(=O)N1CCN(CC(=O)OC)CC1)C(F)(F)F ZINC000362038173 416548508 /nfs/dbraw/zinc/54/85/08/416548508.db2.gz OYGFSKUBLKGILJ-VIFPVBQESA-N 0 0 311.304 0.828 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](NC(N)=O)C2)[C@H]2CCCO[C@H]21 ZINC000534260407 416495601 /nfs/dbraw/zinc/49/56/01/416495601.db2.gz SAZMAXIQBQNAJK-IRCOFANPSA-N 0 0 310.398 0.642 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N(C)Cc2nnnn2C)n1 ZINC000434816826 416498202 /nfs/dbraw/zinc/49/82/02/416498202.db2.gz RSPYSEPCZDYLNH-UHFFFAOYSA-N 0 0 323.382 0.216 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434829243 416498546 /nfs/dbraw/zinc/49/85/46/416498546.db2.gz WTCTVLKGIHAGST-SECBINFHSA-N 0 0 322.365 0.825 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)Nc2cn(C)nc2C(C)C)CCO1 ZINC000435190387 416511078 /nfs/dbraw/zinc/51/10/78/416511078.db2.gz FORIZXUJKROJQH-GFCCVEGCSA-N 0 0 323.397 0.912 10 0 DCAERN O=S1(=O)CC[C@@H](N(Cc2ncccn2)C[C@@H]2CCCO2)C1 ZINC000361861066 416512419 /nfs/dbraw/zinc/51/24/19/416512419.db2.gz USHKBGKWNVTVGT-OLZOCXBDSA-N 0 0 311.407 0.645 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cn1 ZINC000361891255 416518722 /nfs/dbraw/zinc/51/87/22/416518722.db2.gz WPSMGTQVYJUIQO-BMIGLBTASA-N 0 0 322.365 0.196 10 0 DCAERN NC(=O)N[C@@H](CC(=O)N1CC(n2ccnn2)C1)c1cccs1 ZINC000361909396 416519705 /nfs/dbraw/zinc/51/97/05/416519705.db2.gz UMLXVCKDNWKBKX-JTQLQIEISA-N 0 0 320.378 0.523 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC(COC)COC)C1 ZINC000459045515 416519949 /nfs/dbraw/zinc/51/99/49/416519949.db2.gz QWPVGIRLXSGSSV-NSHDSACASA-N 0 0 301.387 0.348 10 0 DCAERN CNc1nc(C)cc(C(=O)NC[C@H](CO)c2ccccc2)n1 ZINC000438910103 416603930 /nfs/dbraw/zinc/60/39/30/416603930.db2.gz LIZLKUDMBZYFOM-CYBMUJFWSA-N 0 0 300.362 1.333 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)n1 ZINC000439473125 416613333 /nfs/dbraw/zinc/61/33/33/416613333.db2.gz VHPMCYFQRRUKFS-STQMWFEESA-N 0 0 308.382 0.573 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@@H](C)CS(C)(=O)=O)no1 ZINC000441713147 416679328 /nfs/dbraw/zinc/67/93/28/416679328.db2.gz CTLQHUGSWHRVTE-QMMMGPOBSA-N 0 0 303.384 0.664 10 0 DCAERN Cn1ccnc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1=O ZINC000547761206 416680402 /nfs/dbraw/zinc/68/04/02/416680402.db2.gz SIJYSIUZFABVBB-SECBINFHSA-N 0 0 304.310 0.999 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cncc(F)c2)C1 ZINC000440065166 416625509 /nfs/dbraw/zinc/62/55/09/416625509.db2.gz UQWGATIFLLIFKD-JTQLQIEISA-N 0 0 323.328 0.079 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccon1 ZINC000542759568 416629783 /nfs/dbraw/zinc/62/97/83/416629783.db2.gz AYINXUHXUOAKOS-NSHDSACASA-N 0 0 302.352 0.920 10 0 DCAERN CC[C@@H](NC(=O)c1cccc2ncnn21)C(=O)N1CCOCC1 ZINC000543418898 416641264 /nfs/dbraw/zinc/64/12/64/416641264.db2.gz PZGRDEZQILLOCV-LLVKDONJSA-N 0 0 317.349 0.097 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)N2CCOCC[C@@H]2C)CC1 ZINC000367764040 416652282 /nfs/dbraw/zinc/65/22/82/416652282.db2.gz TZCDEQIMJWJOMY-NSHDSACASA-N 0 0 305.396 0.770 10 0 DCAERN CCOCC1(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)CC1 ZINC000440868687 416652325 /nfs/dbraw/zinc/65/23/25/416652325.db2.gz POOUECJGPBJHSY-GHMZBOCLSA-N 0 0 314.382 0.376 10 0 DCAERN O=C(Cc1ccc2c(c1)COC2)N1CCN2CCOC[C@H]2C1 ZINC000544588412 416656804 /nfs/dbraw/zinc/65/68/04/416656804.db2.gz FMOPXKYFAZNONW-MRXNPFEDSA-N 0 0 302.374 0.802 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)N1CCN2CCOC[C@@H]2C1 ZINC000544650352 416659193 /nfs/dbraw/zinc/65/91/93/416659193.db2.gz KVVUMTFFMPWQHB-KBPBESRZSA-N 0 0 309.410 0.814 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[S@@](=O)C2)c1 ZINC000441196499 416664689 /nfs/dbraw/zinc/66/46/89/416664689.db2.gz JSVINGPWUGCXII-HXNGOWOSSA-N 0 0 314.338 0.410 10 0 DCAERN COc1cccc(CCNC(=O)NCCN2CCOC[C@H]2C)n1 ZINC000441231521 416665354 /nfs/dbraw/zinc/66/53/54/416665354.db2.gz KQFSZDWTHOXNRS-CYBMUJFWSA-N 0 0 322.409 0.653 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000441233244 416665608 /nfs/dbraw/zinc/66/56/08/416665608.db2.gz MLRSNSTVANNKNU-AMXDTQDGSA-N 0 0 322.386 0.587 10 0 DCAERN COc1cccc(CCNC(=O)NCCNc2cnccn2)n1 ZINC000441251330 416666145 /nfs/dbraw/zinc/66/61/45/416666145.db2.gz HCKCKFQPAMGRJE-UHFFFAOYSA-N 0 0 316.365 0.834 10 0 DCAERN CCc1nc(C(C)(C)NC[C@@H](O)CO[C@H](C)COC)no1 ZINC000441260098 416668106 /nfs/dbraw/zinc/66/81/06/416668106.db2.gz GGELZMWNXAZFDV-GHMZBOCLSA-N 0 0 301.387 0.869 10 0 DCAERN COc1cccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368622507 416674552 /nfs/dbraw/zinc/67/45/52/416674552.db2.gz MSUNPSZXZCJOBV-HNNXBMFYSA-N 0 0 319.405 0.964 10 0 DCAERN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443327804 416751914 /nfs/dbraw/zinc/75/19/14/416751914.db2.gz DHIUQAAMAYISKH-UHFFFAOYSA-N 0 0 307.350 0.134 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H](O)C2)cn1 ZINC000442061568 416685920 /nfs/dbraw/zinc/68/59/20/416685920.db2.gz LHWFFFDGEFOGHS-DGCLKSJQSA-N 0 0 320.393 0.753 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)no1 ZINC000442117468 416688418 /nfs/dbraw/zinc/68/84/18/416688418.db2.gz AMZZUPIKYVCEDW-VIFPVBQESA-N 0 0 321.381 0.930 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)c(F)c1 ZINC000425298515 416693509 /nfs/dbraw/zinc/69/35/09/416693509.db2.gz WUKWBDBFTQERIA-ZDUSSCGKSA-N 0 0 324.352 0.451 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C)Cn1cncn1 ZINC000368883622 416703852 /nfs/dbraw/zinc/70/38/52/416703852.db2.gz DPLIMHJHJLODPC-ABAIWWIYSA-N 0 0 313.361 0.761 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)[C@](C)(O)Cc2ccccc2)C1 ZINC000516215493 416719227 /nfs/dbraw/zinc/71/92/27/416719227.db2.gz WROWYHWTKKZNEJ-DOTOQJQBSA-N 0 0 304.390 0.965 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@](C)(O)Cc2ccccc2)C1 ZINC000516215494 416719617 /nfs/dbraw/zinc/71/96/17/416719617.db2.gz WROWYHWTKKZNEJ-NVXWUHKLSA-N 0 0 304.390 0.965 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)Cn2cncn2)(C(=O)OC)C1(C)C ZINC000614903476 416722641 /nfs/dbraw/zinc/72/26/41/416722641.db2.gz RCQMBBOXDZTTLC-YGRLFVJLSA-N 0 0 310.354 0.141 10 0 DCAERN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CCCO ZINC000442995429 416725200 /nfs/dbraw/zinc/72/52/00/416725200.db2.gz FFJRYPWMMBBHBN-CYBMUJFWSA-N 0 0 318.381 0.116 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O ZINC000516616074 416729411 /nfs/dbraw/zinc/72/94/11/416729411.db2.gz HUEHACJSFQZQTE-QUCGXOGASA-N 0 0 300.380 0.698 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1CC[C@@H]1COc2ccccc2O1 ZINC000516703073 416734531 /nfs/dbraw/zinc/73/45/31/416734531.db2.gz AQXPQDPFYUBLCE-BDJLRTHQSA-N 0 0 318.329 0.927 10 0 DCAERN CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)NC(N)=O)CC1 ZINC000369256674 416737578 /nfs/dbraw/zinc/73/75/78/416737578.db2.gz YIUBCARZEBHVPT-CQSZACIVSA-N 0 0 324.425 0.684 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)on1 ZINC000557946847 416757062 /nfs/dbraw/zinc/75/70/62/416757062.db2.gz OTIWNKQGLDJKAW-STQMWFEESA-N 0 0 324.381 0.461 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)COc1cnn(C)c1)CC2 ZINC000558626752 416779270 /nfs/dbraw/zinc/77/92/70/416779270.db2.gz JCYYQUNMCOLBMF-KGLIPLIRSA-N 0 0 323.393 0.577 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NC2(CC(N)=O)CCC2)c1 ZINC000443899445 416789816 /nfs/dbraw/zinc/78/98/16/416789816.db2.gz SPVRPQHWUWUXLD-UHFFFAOYSA-N 0 0 310.375 0.966 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@H](CO)OC[C@H]2C)cc1 ZINC000427047185 416796188 /nfs/dbraw/zinc/79/61/88/416796188.db2.gz ZSHPKBLQGQEFCA-IAQYHMDHSA-N 0 0 306.362 0.891 10 0 DCAERN CN(CC1(O)CCOCC1)C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000558961070 416797190 /nfs/dbraw/zinc/79/71/90/416797190.db2.gz DAHYUHYXGDOZQV-CYBMUJFWSA-N 0 0 322.409 0.980 10 0 DCAERN COC(=O)c1ccc(N[C@H]2CCCS(=O)(=O)C2)nc1OC ZINC000517646993 416815971 /nfs/dbraw/zinc/81/59/71/416815971.db2.gz WMVPIBYAHWPXPU-VIFPVBQESA-N 0 0 314.363 0.866 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000444934413 416875567 /nfs/dbraw/zinc/87/55/67/416875567.db2.gz XSPZQNWVEOVFCT-SECBINFHSA-N 0 0 307.310 0.143 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC(=O)N2CCCC23CCC3)c1 ZINC000370118460 416884678 /nfs/dbraw/zinc/88/46/78/416884678.db2.gz BAUIVSNQJFMYMZ-UHFFFAOYSA-N 0 0 312.395 0.244 10 0 DCAERN COC1(CO)CCN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000446983702 416957444 /nfs/dbraw/zinc/95/74/44/416957444.db2.gz XASURVIZACVCOS-UHFFFAOYSA-N 0 0 323.393 0.821 10 0 DCAERN COCCN(C)S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373683422 416961673 /nfs/dbraw/zinc/96/16/73/416961673.db2.gz PIFBOQUDGDOOMO-CYBMUJFWSA-N 0 0 322.427 0.079 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@@H]3CCCCN3C2=O)c1 ZINC000445937375 416904232 /nfs/dbraw/zinc/90/42/32/416904232.db2.gz KMOYJCIUSICCNK-LBPRGKRZSA-N 0 0 323.374 0.916 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)N[C@H](C)C2CC2)C1 ZINC000446115362 416914079 /nfs/dbraw/zinc/91/40/79/416914079.db2.gz BJUVHXWLXRIWOT-YRGRVCCFSA-N 0 0 300.399 0.840 10 0 DCAERN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000521257527 417000181 /nfs/dbraw/zinc/00/01/81/417000181.db2.gz LAJWJUJLRCKSDV-SRVKXCTJSA-N 0 0 302.396 0.207 10 0 DCAERN CC(=O)C1(NS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000632448676 417096087 /nfs/dbraw/zinc/09/60/87/417096087.db2.gz UZUABQXNZJDXIF-UHFFFAOYSA-N 0 0 317.388 0.490 10 0 DCAERN CC1CCN(C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000376751819 417038356 /nfs/dbraw/zinc/03/83/56/417038356.db2.gz IWYWSHMNQPMMCC-UHFFFAOYSA-N 0 0 303.428 0.806 10 0 DCAERN c1nc2ncnc(N[C@H]3CCN(c4ccc5nncn5n4)C3)c2[nH]1 ZINC000624533159 417056988 /nfs/dbraw/zinc/05/69/88/417056988.db2.gz MUABXDSQZJBKLR-VIFPVBQESA-N 0 0 322.336 0.481 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000448476830 417078108 /nfs/dbraw/zinc/07/81/08/417078108.db2.gz CPPFOUZYTIFTJU-LBPRGKRZSA-N 0 0 306.366 0.727 10 0 DCAERN CC(C)Cn1nccc1NC(=O)C(=O)NCc1ccnn1C ZINC000448488286 417080630 /nfs/dbraw/zinc/08/06/30/417080630.db2.gz AKLIDBICMNLCLW-UHFFFAOYSA-N 0 0 304.354 0.528 10 0 DCAERN COc1nc(N[C@H]2CCOC[C@@H]2O)ncc1Br ZINC000624688563 417083128 /nfs/dbraw/zinc/08/31/28/417083128.db2.gz UPXGOOLXTCNLMS-YUMQZZPRSA-N 0 0 304.144 0.809 10 0 DCAERN CCOC(=O)[C@@H]1COCCN1CCNC(=O)OC(C)(C)C ZINC000616641308 417085980 /nfs/dbraw/zinc/08/59/80/417085980.db2.gz YDCBUHOEAFMKSZ-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2CN(S(N)(=O)=O)CCO2)cc1 ZINC000616643873 417087753 /nfs/dbraw/zinc/08/77/53/417087753.db2.gz FGCZZJKBLKDIES-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2CN(S(N)(=O)=O)CCN2)cc1 ZINC000616635875 417087985 /nfs/dbraw/zinc/08/79/85/417087985.db2.gz WWGPGANEUWRZRW-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN Nc1ccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)cn1 ZINC000616640185 417088183 /nfs/dbraw/zinc/08/81/83/417088183.db2.gz XOMATNJYRGKQTC-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616665310 417089489 /nfs/dbraw/zinc/08/94/89/417089489.db2.gz RREMAXNZTIRJDU-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCO[C@H](c2nc[nH]n2)C1 ZINC000616652193 417089832 /nfs/dbraw/zinc/08/98/32/417089832.db2.gz ZBCAGUBUEXYCBC-LBPRGKRZSA-N 0 0 308.363 0.957 10 0 DCAERN CN1CCO[C@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000524797143 417120046 /nfs/dbraw/zinc/12/00/46/417120046.db2.gz ULZSYIPMAVGLIS-HNNXBMFYSA-N 0 0 305.378 0.792 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cncc(F)c3)C[C@H]21 ZINC000408016074 417132865 /nfs/dbraw/zinc/13/28/65/417132865.db2.gz HRZTYAPEMPCRIK-CHWSQXEVSA-N 0 0 315.370 0.314 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000408447797 417161467 /nfs/dbraw/zinc/16/14/67/417161467.db2.gz IMGVRKRCNBEPKV-KKZNHRDASA-N 0 0 308.300 0.959 10 0 DCAERN C[C@@H]1CN(CC(=O)NC2CCCCCC2)CCS1(=O)=O ZINC000408201276 417145191 /nfs/dbraw/zinc/14/51/91/417145191.db2.gz HLYJMJZBYKZMFJ-GFCCVEGCSA-N 0 0 302.440 0.944 10 0 DCAERN COC(=O)C1(NS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC000408193613 417146389 /nfs/dbraw/zinc/14/63/89/417146389.db2.gz SYYLLQXLPKXNAT-WDEREUQCSA-N 0 0 305.396 0.959 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000408226219 417149797 /nfs/dbraw/zinc/14/97/97/417149797.db2.gz NTYUMGRHZAZRTH-KGLIPLIRSA-N 0 0 320.389 0.777 10 0 DCAERN CO[C@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)C(C)C ZINC000408244054 417149957 /nfs/dbraw/zinc/14/99/57/417149957.db2.gz MNSVWGKVECGYKQ-LLVKDONJSA-N 0 0 306.428 0.876 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408336063 417156779 /nfs/dbraw/zinc/15/67/79/417156779.db2.gz YDFHEVIGHNEVHA-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)N1C(=O)CN(C[C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400086 417158492 /nfs/dbraw/zinc/15/84/92/417158492.db2.gz OKEJCDUDZQNLLB-GFCCVEGCSA-N 0 0 302.440 0.752 10 0 DCAERN CN1CCO[C@@H](CS(=O)(=O)N2C[C@]3(C)COC[C@]3(C)C2)C1 ZINC000632552758 417159333 /nfs/dbraw/zinc/15/93/33/417159333.db2.gz YCWWPGVHQLXSDO-MCIONIFRSA-N 0 0 318.439 0.005 10 0 DCAERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)CCNS(C)(=O)=O ZINC000526931549 417191253 /nfs/dbraw/zinc/19/12/53/417191253.db2.gz JZIIXULITKATEB-SFYZADRCSA-N 0 0 302.318 0.725 10 0 DCAERN O=C(N[C@H]1CCc2ccccc2C1)C(=O)N1CCCOCC1 ZINC000568904414 417192481 /nfs/dbraw/zinc/19/24/81/417192481.db2.gz FKXJWTHZGYHKEB-HNNXBMFYSA-N 0 0 302.374 0.909 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617264918 417192993 /nfs/dbraw/zinc/19/29/93/417192993.db2.gz RRNXCFWXKWDUGR-KGLIPLIRSA-N 0 0 305.382 0.528 10 0 DCAERN Cc1nc2ccc(S(=O)(=O)N[C@@H]3COC[C@@H]3O)cc2s1 ZINC000632622675 417197523 /nfs/dbraw/zinc/19/75/23/417197523.db2.gz TWMMQXSVDYMJCR-MNOVXSKESA-N 0 0 314.388 0.643 10 0 DCAERN C[C@@H](OCc1ccc(F)cc1)C(=O)N(C)Cc1nnnn1C ZINC000450104404 417199547 /nfs/dbraw/zinc/19/95/47/417199547.db2.gz LVQCUFUPMBUSJF-SNVBAGLBSA-N 0 0 307.329 0.913 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)CC2 ZINC000527252192 417230344 /nfs/dbraw/zinc/23/03/44/417230344.db2.gz OPNUBRZDUQRPCY-MFKMUULPSA-N 0 0 320.393 0.351 10 0 DCAERN CC[C@]1(O)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000632666005 417219121 /nfs/dbraw/zinc/21/91/21/417219121.db2.gz JNMPLTHGTMPYHB-UPJWGTAASA-N 0 0 306.428 0.577 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1cccnc1-n1cncn1 ZINC000184900852 287369668 /nfs/dbraw/zinc/36/96/68/287369668.db2.gz XAZOXPNGFWVNMQ-LLVKDONJSA-N 0 0 322.394 0.481 10 0 DCAERN COC(=O)c1nc(NCCCN(C)S(C)(=O)=O)sc1C ZINC000617939243 417234898 /nfs/dbraw/zinc/23/48/98/417234898.db2.gz VTEPEVCSXUCFHO-UHFFFAOYSA-N 0 0 321.424 0.932 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000621968518 417356871 /nfs/dbraw/zinc/35/68/71/417356871.db2.gz LDJXWKQPSPJIHL-JTQLQIEISA-N 0 0 308.281 0.829 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)CC12COC2 ZINC000451125875 417300494 /nfs/dbraw/zinc/30/04/94/417300494.db2.gz ORDPJFVFXHAXTJ-KBPBESRZSA-N 0 0 324.421 0.756 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@@H]2c2cccnc2)C1 ZINC000621851849 417325065 /nfs/dbraw/zinc/32/50/65/417325065.db2.gz DUGJFEZTRRDWCJ-HUUCEWRRSA-N 0 0 317.393 0.358 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCCc3n[nH]cc32)c1 ZINC000438697086 287374496 /nfs/dbraw/zinc/37/44/96/287374496.db2.gz WNMUSCUFIKOBGQ-UHFFFAOYSA-N 0 0 320.374 0.911 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000633267533 417398867 /nfs/dbraw/zinc/39/88/67/417398867.db2.gz QFLHBWXPWPYKPU-LJISPDSOSA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000633351344 417414235 /nfs/dbraw/zinc/41/42/35/417414235.db2.gz RHIGJLAHPXMZPU-MXWKQRLJSA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000633363602 417415591 /nfs/dbraw/zinc/41/55/91/417415591.db2.gz JHSYIAACUQYFMW-QWHCGFSZSA-N 0 0 310.398 0.260 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CCC2CC2)CC12COC2 ZINC000451621177 417366242 /nfs/dbraw/zinc/36/62/42/417366242.db2.gz VBYIJRVPAIPZTP-GFCCVEGCSA-N 0 0 317.407 0.628 10 0 DCAERN CN(C)c1nccc(NC[C@@H]2CCO[C@H]2c2ccnn2C)n1 ZINC000570620601 417372474 /nfs/dbraw/zinc/37/24/74/417372474.db2.gz ZRYUTVVMKKWNFK-SMDDNHRTSA-N 0 0 302.382 1.466 10 0 DCAERN CCOC[C@@H](O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451664025 417375869 /nfs/dbraw/zinc/37/58/69/417375869.db2.gz NWBMOQDWALBBFN-LBPRGKRZSA-N 0 0 308.378 0.701 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)c3cncc(Cl)c3)CC2)C1=O ZINC000622398606 417440491 /nfs/dbraw/zinc/44/04/91/417440491.db2.gz DSFGTFOONKQDCI-UHFFFAOYSA-N 0 0 322.752 0.891 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN2CC(F)(F)C[C@H]2C1 ZINC000633520486 417445992 /nfs/dbraw/zinc/44/59/92/417445992.db2.gz AALZYXDCTCNQOB-RYUDHWBXSA-N 0 0 301.337 0.549 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCn2cnccc2=O)cc1 ZINC000633557098 417451363 /nfs/dbraw/zinc/45/13/63/417451363.db2.gz WRGTWGWBXYPDFY-UHFFFAOYSA-N 0 0 314.345 0.656 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccncc2F)CC12COC2 ZINC000452269588 417464558 /nfs/dbraw/zinc/46/45/58/417464558.db2.gz XXTSABZYAGFMNW-NSHDSACASA-N 0 0 308.309 0.872 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CC)O2)CC12COC2 ZINC000452266469 417464714 /nfs/dbraw/zinc/46/47/14/417464714.db2.gz SMDSRVNKSVQLKK-FRRDWIJNSA-N 0 0 311.378 0.982 10 0 DCAERN Cc1cc(CNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)ccn1 ZINC000622633495 417471399 /nfs/dbraw/zinc/47/13/99/417471399.db2.gz VDPCYDBULSJVPY-QGZVFWFLSA-N 0 0 315.373 0.928 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CC(F)F ZINC000633677795 417476863 /nfs/dbraw/zinc/47/68/63/417476863.db2.gz QWVBTRUGTJJYAT-VXGBXAGGSA-N 0 0 303.353 0.843 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@H]2CCCCN2CCO)n(C)c1 ZINC000452390189 417480641 /nfs/dbraw/zinc/48/06/41/417480641.db2.gz NRMRTUKLZGJNDC-AWEZNQCLSA-N 0 0 307.394 0.804 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000529624993 417481850 /nfs/dbraw/zinc/48/18/50/417481850.db2.gz VUIAHHXHNONTHL-SNVBAGLBSA-N 0 0 304.272 0.581 10 0 DCAERN CN(C(=O)CN1CCCC[C@H](O)C1=O)C1Cc2ccccc2C1 ZINC000644324964 417537011 /nfs/dbraw/zinc/53/70/11/417537011.db2.gz TWWOFURVADKRGW-INIZCTEOSA-N 0 0 316.401 0.986 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC2CCOCC2)CC12COC2 ZINC000454325428 417557055 /nfs/dbraw/zinc/55/70/55/417557055.db2.gz FSYJFLYUOPBCTP-GFCCVEGCSA-N 0 0 312.366 0.387 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000633867843 417500805 /nfs/dbraw/zinc/50/08/05/417500805.db2.gz SGSFCUVAESUKIL-XDMRBOTDSA-N 0 0 309.366 0.079 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000575037172 417500932 /nfs/dbraw/zinc/50/09/32/417500932.db2.gz PMDAVAMPDMUYQU-PHDIDXHHSA-N 0 0 314.271 1.451 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 ZINC000627776272 417503861 /nfs/dbraw/zinc/50/38/61/417503861.db2.gz VUNWEIFIQDRGEU-KBPBESRZSA-N 0 0 320.345 0.484 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)[C@H](C)OC)CC12COC2 ZINC000454824540 417582377 /nfs/dbraw/zinc/58/23/77/417582377.db2.gz KLVRFMZOAIHNTQ-SDDRHHMPSA-N 0 0 314.382 0.631 10 0 DCAERN O=C(CNC(=O)c1ccc(Br)o1)N1CC=CCN1 ZINC000628227694 417593159 /nfs/dbraw/zinc/59/31/59/417593159.db2.gz OMCHHFBGJXTKHV-UHFFFAOYSA-N 0 0 314.139 0.675 10 0 DCAERN CO[C@@H](CNC(=O)N(C)Cc1nnnn1C)Cc1ccccc1 ZINC000455226904 417597520 /nfs/dbraw/zinc/59/75/20/417597520.db2.gz ZWKBBSVKFDYIPU-CYBMUJFWSA-N 0 0 318.381 0.609 10 0 DCAERN COCC(COC)NC(=O)NCC(=O)NC1CCCCC1 ZINC000455409192 417603769 /nfs/dbraw/zinc/60/37/69/417603769.db2.gz XYVPYOFKAKJEGU-UHFFFAOYSA-N 0 0 301.387 0.396 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@@](C)(COC)C2)C1 ZINC000454673674 417576496 /nfs/dbraw/zinc/57/64/96/417576496.db2.gz JSPTUTSPYKSMAS-IUODEOHRSA-N 0 0 312.414 0.858 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000531610044 417630339 /nfs/dbraw/zinc/63/03/39/417630339.db2.gz KEDSUESXHVDMAJ-LBPRGKRZSA-N 0 0 316.365 0.502 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000531617452 417632013 /nfs/dbraw/zinc/63/20/13/417632013.db2.gz PGYSFJOGFSPMLJ-GFCCVEGCSA-N 0 0 322.409 0.355 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000576969989 417651424 /nfs/dbraw/zinc/65/14/24/417651424.db2.gz JZYZMHWOZCOCKW-IJLUTSLNSA-N 0 0 304.412 0.678 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628869767 417707148 /nfs/dbraw/zinc/70/71/48/417707148.db2.gz NEVGPQDGYYBSHJ-CABCVRRESA-N 0 0 316.357 0.434 10 0 DCAERN Cc1cc([C@@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)c(C)o1 ZINC000458049125 417717860 /nfs/dbraw/zinc/71/78/60/417717860.db2.gz AVMQXYWXUQKSBE-ZYHUDNBSSA-N 0 0 307.354 0.909 10 0 DCAERN CCCc1nc(C)c(C(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000458130005 417724014 /nfs/dbraw/zinc/72/40/14/417724014.db2.gz FMPDXGSJPAWBMH-SNVBAGLBSA-N 0 0 309.395 0.786 10 0 DCAERN CO[C@@H]1COC[C@H]1NC(=O)N1CCc2nnc(N(C)C)cc2C1 ZINC000645803338 417796426 /nfs/dbraw/zinc/79/64/26/417796426.db2.gz RKMULUYPRDIQDA-CHWSQXEVSA-N 0 0 321.381 0.024 10 0 DCAERN O[C@@H]1CN(c2cc(N3CCCC3)ncn2)C[C@H]1n1ccnn1 ZINC000631397065 417871526 /nfs/dbraw/zinc/87/15/26/417871526.db2.gz HTZVGBCBJNXWEO-VXGBXAGGSA-N 0 0 301.354 0.091 10 0 DCAERN CN1C[C@H](CNS(=O)(=O)c2ccc(N)cc2F)CC1=O ZINC000659948671 418206223 /nfs/dbraw/zinc/20/62/23/418206223.db2.gz QXELAWQZEPIZIE-QMMMGPOBSA-N 0 0 301.343 0.165 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451213587 287459836 /nfs/dbraw/zinc/45/98/36/287459836.db2.gz ANWZCCOMFBRSOW-CJNGLKHVSA-N 0 0 309.410 0.953 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccoc2)C1 ZINC000460032050 287509633 /nfs/dbraw/zinc/50/96/33/287509633.db2.gz CLLZIGBDJQQJTC-ZDUSSCGKSA-N 0 0 321.377 0.755 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cc(C)on1 ZINC000488289439 287548498 /nfs/dbraw/zinc/54/84/98/287548498.db2.gz UEBIWHAYBKIDIT-NXEZZACHSA-N 0 0 311.338 0.098 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)NCCCc1nnc2ccccn21 ZINC000489514985 287554679 /nfs/dbraw/zinc/55/46/79/287554679.db2.gz NZHZHUFJCMWBKR-SNVBAGLBSA-N 0 0 304.354 0.225 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489527644 287555034 /nfs/dbraw/zinc/55/50/34/287555034.db2.gz HKKPFDKJJRYQIS-SECBINFHSA-N 0 0 302.334 0.924 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccn1 ZINC000492210910 287571346 /nfs/dbraw/zinc/57/13/46/287571346.db2.gz PNVMLYRLLCNNSM-MNOVXSKESA-N 0 0 322.365 0.337 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCC(O)CC1 ZINC000227650024 545944509 /nfs/dbraw/zinc/94/45/09/545944509.db2.gz QNWHMJPGICLDBI-UHFFFAOYSA-N 0 0 301.412 0.866 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCCSCC2)cs1 ZINC000299527251 229182614 /nfs/dbraw/zinc/18/26/14/229182614.db2.gz YGOFDOUDJNFPDE-UHFFFAOYSA-N 0 0 306.434 0.975 10 0 DCAERN CCc1nccn1[C@H]1CCCN(CC(=O)NCC(=O)OC)C1 ZINC000105922718 261107701 /nfs/dbraw/zinc/10/77/01/261107701.db2.gz VXTKSAWTAAETJN-LBPRGKRZSA-N 0 0 308.382 0.372 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1 ZINC000179152918 261111788 /nfs/dbraw/zinc/11/17/88/261111788.db2.gz ZHPXGTPOXXCDJW-KBPBESRZSA-N 0 0 305.378 0.774 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H]1CCOC1 ZINC000179363210 261112595 /nfs/dbraw/zinc/11/25/95/261112595.db2.gz LBULTXHWQGFKDV-WCQYABFASA-N 0 0 316.361 0.873 10 0 DCAERN CC(C)Cc1nsc(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000185536854 261120356 /nfs/dbraw/zinc/12/03/56/261120356.db2.gz ODCZLIQLYRHLCV-GFCCVEGCSA-N 0 0 314.455 0.866 10 0 DCAERN COc1ccc(CNC(=O)c2cc3c(cn2)nc[nH]c3=O)cn1 ZINC000186407129 261120922 /nfs/dbraw/zinc/12/09/22/261120922.db2.gz XUWRXJCQJZZRQE-UHFFFAOYSA-N 0 0 311.301 0.652 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000186614304 261121110 /nfs/dbraw/zinc/12/11/10/261121110.db2.gz XMZKNWFOGOVPDM-UHFFFAOYSA-N 0 0 312.289 0.284 10 0 DCAERN CC(C)CCn1cc(C(=O)NCc2cc(C(N)=O)co2)nn1 ZINC000186642794 261121360 /nfs/dbraw/zinc/12/13/60/261121360.db2.gz ZEVMIFHTDMDKKC-UHFFFAOYSA-N 0 0 305.338 0.946 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)c1nnc2n1CCCC2 ZINC000187204732 261122573 /nfs/dbraw/zinc/12/25/73/261122573.db2.gz UKDKSGRFHWTKPC-MNOVXSKESA-N 0 0 320.397 0.548 10 0 DCAERN COc1cccc(OC)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187260740 261123196 /nfs/dbraw/zinc/12/31/96/261123196.db2.gz AKPHBRZKTZBQCB-LBPRGKRZSA-N 0 0 308.378 0.842 10 0 DCAERN CO[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC[C@@H]1C ZINC000187833672 261125139 /nfs/dbraw/zinc/12/51/39/261125139.db2.gz SOTFWECTSBODOF-JQWIXIFHSA-N 0 0 319.365 0.013 10 0 DCAERN CCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C(C)(C)C1=O ZINC000188293854 261126956 /nfs/dbraw/zinc/12/69/56/261126956.db2.gz YXUTWGTWBPSCGK-LBPRGKRZSA-N 0 0 317.455 0.906 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2c1 ZINC000189464120 261131422 /nfs/dbraw/zinc/13/14/22/261131422.db2.gz OSVIPKCIDLFEBZ-SMDDNHRTSA-N 0 0 317.345 0.939 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000190145290 261133503 /nfs/dbraw/zinc/13/35/03/261133503.db2.gz JJUAUMVRUNEISE-BXUZGUMPSA-N 0 0 324.425 0.761 10 0 DCAERN COCCN1CCN(C(=O)NCCOCC(F)F)C[C@H]1C ZINC000190273487 261134311 /nfs/dbraw/zinc/13/43/11/261134311.db2.gz KUHVDCWAJKMJBQ-LLVKDONJSA-N 0 0 309.357 0.630 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCOCC(F)F)CC1 ZINC000190279147 261134656 /nfs/dbraw/zinc/13/46/56/261134656.db2.gz PMLMJDMLCVARDJ-LLVKDONJSA-N 0 0 309.357 0.366 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)c1cc(C(N)=O)cn1C ZINC000190557414 261134927 /nfs/dbraw/zinc/13/49/27/261134927.db2.gz JEWSIBOWMOTVTD-AWEZNQCLSA-N 0 0 315.373 0.766 10 0 DCAERN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000193004996 261140440 /nfs/dbraw/zinc/14/04/40/261140440.db2.gz CXDLSLLADHREGH-LLVKDONJSA-N 0 0 300.318 0.453 10 0 DCAERN Cc1cc(COCC(=O)NCCc2cccc(C(N)=O)c2)on1 ZINC000193576096 261143213 /nfs/dbraw/zinc/14/32/13/261143213.db2.gz QZSODVSEULYQRC-UHFFFAOYSA-N 0 0 317.345 0.957 10 0 DCAERN CCn1c(N)c(C(=O)CN[C@@H](C)c2ccc(C)o2)c(=O)[nH]c1=O ZINC000194413614 261146427 /nfs/dbraw/zinc/14/64/27/261146427.db2.gz JQXZWLNNAWTFPE-VIFPVBQESA-N 0 0 320.349 0.574 10 0 DCAERN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194770473 261148757 /nfs/dbraw/zinc/14/87/57/261148757.db2.gz MBHUQPREJAWSJY-ZDUSSCGKSA-N 0 0 301.346 0.107 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)[C@H]2CNC(=O)C2)cc1F ZINC000194788240 261148940 /nfs/dbraw/zinc/14/89/40/261148940.db2.gz QSHKZEHTWYSQQF-LLVKDONJSA-N 0 0 307.325 0.116 10 0 DCAERN O=C(NCCNC(=O)C1CC1)NCc1ccc(CO)c(F)c1 ZINC000194912837 261149620 /nfs/dbraw/zinc/14/96/20/261149620.db2.gz SMEYDXCSYHRTOU-UHFFFAOYSA-N 0 0 309.341 0.643 10 0 DCAERN O=C(NCCN1CCOCC1)NCc1ccc(CO)c(F)c1 ZINC000194908529 261149657 /nfs/dbraw/zinc/14/96/57/261149657.db2.gz GGORWRNLMJQXKF-UHFFFAOYSA-N 0 0 311.357 0.449 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccccc1 ZINC000195526563 261152555 /nfs/dbraw/zinc/15/25/55/261152555.db2.gz BRQQZEMZZYVAIA-CYBMUJFWSA-N 0 0 303.362 0.082 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000228065447 261153252 /nfs/dbraw/zinc/15/32/52/261153252.db2.gz ZYYVMEUZIXMZNL-PSASIEDQSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCCC[C@@H]1C)N1CCOCC1 ZINC000229936387 261154215 /nfs/dbraw/zinc/15/42/15/261154215.db2.gz YDQJCHJRZVSAEE-STQMWFEESA-N 0 0 305.444 0.416 10 0 DCAERN CC(C)N1CCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1=O ZINC000276359718 261170634 /nfs/dbraw/zinc/17/06/34/261170634.db2.gz RUAYQCGNRWCFOQ-GFCCVEGCSA-N 0 0 320.393 0.617 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(OCC(C)C)CC1 ZINC000354831591 261276683 /nfs/dbraw/zinc/27/66/83/261276683.db2.gz HADYGSCFHVXRPG-HIFRSBDPSA-N 0 0 312.410 0.632 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@H](C)C2)c1 ZINC000357903411 261598864 /nfs/dbraw/zinc/59/88/64/261598864.db2.gz BVRBZPZVDQZMAO-SNVBAGLBSA-N 0 0 315.395 0.562 10 0 DCAERN CS[C@@H](C)CNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000360118879 261793089 /nfs/dbraw/zinc/79/30/89/261793089.db2.gz RUUNZVVRNRELLL-VHSXEESVSA-N 0 0 306.453 0.181 10 0 DCAERN C[C@H](NC(=O)NCC[C@H]1COc2ccccc2O1)C(=O)N(C)C ZINC000360382592 261827294 /nfs/dbraw/zinc/82/72/94/261827294.db2.gz CSQHAWIFNLJNHL-RYUDHWBXSA-N 0 0 321.377 0.992 10 0 DCAERN CN1CN(CC(=O)NCCc2cccc3cccnc32)CC1=O ZINC000360472192 261835059 /nfs/dbraw/zinc/83/50/59/261835059.db2.gz FHIAWMZKVVVWSJ-UHFFFAOYSA-N 0 0 312.373 0.625 10 0 DCAERN CC[C@H](CNC(=O)N1CCN(C(C)(C)C(=O)OC)CC1)OC ZINC000360753194 261871570 /nfs/dbraw/zinc/87/15/70/261871570.db2.gz XOEDXMNRTZJFHW-GFCCVEGCSA-N 0 0 315.414 0.690 10 0 DCAERN COCCC1(CNC(=O)C(=O)N(C)CCCO)CCCC1 ZINC000360811366 261878703 /nfs/dbraw/zinc/87/87/03/261878703.db2.gz CLVQMOJOQQUAGN-UHFFFAOYSA-N 0 0 300.399 0.540 10 0 DCAERN CCc1cnc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)s1 ZINC000361605798 261943720 /nfs/dbraw/zinc/94/37/20/261943720.db2.gz YNQHJPHDHALQHL-SNVBAGLBSA-N 0 0 318.420 0.478 10 0 DCAERN C[C@@H](O)C[C@@H](C)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361703228 261952546 /nfs/dbraw/zinc/95/25/46/261952546.db2.gz QOLRZTGAXKJIOI-CHWSQXEVSA-N 0 0 322.409 0.877 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000361938498 261979259 /nfs/dbraw/zinc/97/92/59/261979259.db2.gz MRIZUIAJLZUADJ-JTQLQIEISA-N 0 0 321.381 0.171 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)N2CC[C@@H](CO)[C@H]2C)cn1 ZINC000362126200 262002231 /nfs/dbraw/zinc/00/22/31/262002231.db2.gz RCKCDOZCMSVKSH-MNOVXSKESA-N 0 0 306.366 0.768 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)CCS(C)(=O)=O)no1 ZINC000362315531 262021576 /nfs/dbraw/zinc/02/15/76/262021576.db2.gz QWOGQRCEMIUGRS-UHFFFAOYSA-N 0 0 318.351 0.247 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(C)C2)no1 ZINC000362312391 262021692 /nfs/dbraw/zinc/02/16/92/262021692.db2.gz IVRNOQDHXZKXSA-MRVPVSSYSA-N 0 0 309.322 0.291 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1 ZINC000362465324 262038458 /nfs/dbraw/zinc/03/84/58/262038458.db2.gz NFMDZEOTMQXJKE-RYUDHWBXSA-N 0 0 321.377 0.942 10 0 DCAERN Cc1oc(C(=O)N2CCOCC[C@H]2C)cc1S(N)(=O)=O ZINC000362474271 262039422 /nfs/dbraw/zinc/03/94/22/262039422.db2.gz REMCEHHLWBWVRX-MRVPVSSYSA-N 0 0 302.352 0.486 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC000362774603 262071045 /nfs/dbraw/zinc/07/10/45/262071045.db2.gz PXIUGSFJSLRMTF-ZIAGYGMSSA-N 0 0 324.425 0.601 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000362860897 262082081 /nfs/dbraw/zinc/08/20/81/262082081.db2.gz WWGFKJZTIPMWPR-CHWSQXEVSA-N 0 0 322.413 0.414 10 0 DCAERN COc1cc(C)cc(C(=O)N2CCN3CCOC[C@H]3C2)c1O ZINC000363868510 262135329 /nfs/dbraw/zinc/13/53/29/262135329.db2.gz NPORVMLBMUVRCT-GFCCVEGCSA-N 0 0 306.362 0.866 10 0 DCAERN O=S(=O)(N1CCN2CCOC[C@@H]2C1)N1CCCCCC1 ZINC000363979525 262138379 /nfs/dbraw/zinc/13/83/79/262138379.db2.gz XOFPJVFMPHDNSD-ZDUSSCGKSA-N 0 0 303.428 0.124 10 0 DCAERN Cc1oc(Br)cc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000396738652 262163623 /nfs/dbraw/zinc/16/36/23/262163623.db2.gz NBSQCOCPZIYAAP-ZETCQYMHSA-N 0 0 315.123 0.886 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000420698554 262380922 /nfs/dbraw/zinc/38/09/22/262380922.db2.gz LNMHODWRCZHKCF-CHWSQXEVSA-N 0 0 306.428 0.887 10 0 DCAERN NC(=O)[C@]1(O)CCN(c2ncc(Br)cc2Cl)C1 ZINC000373369549 271216784 /nfs/dbraw/zinc/21/67/84/271216784.db2.gz OEPVTUIESBZEQW-JTQLQIEISA-N 0 0 320.574 0.924 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N[C@H]1CCc2ncnn2C1 ZINC000358770164 271069887 /nfs/dbraw/zinc/06/98/87/271069887.db2.gz UDEMVYXUKMIBHG-LBPRGKRZSA-N 0 0 311.349 0.969 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)NC[C@@H](CO)C1CC1 ZINC000359149660 271099626 /nfs/dbraw/zinc/09/96/26/271099626.db2.gz OVOOPVFFDOAPRC-LBPRGKRZSA-N 0 0 306.428 0.519 10 0 DCAERN CO[C@]1(CNC(=O)NCc2nnc3ccccn32)CCOC1 ZINC000359223145 271106623 /nfs/dbraw/zinc/10/66/23/271106623.db2.gz XAWZPCOOBWIJKS-AWEZNQCLSA-N 0 0 305.338 0.334 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)C1)c1nncn1C ZINC000359487751 271119806 /nfs/dbraw/zinc/11/98/06/271119806.db2.gz XBYNZDIDHMQJRB-GZMMTYOYSA-N 0 0 321.303 0.975 10 0 DCAERN Cc1cnn([C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)c1 ZINC000359597773 271129411 /nfs/dbraw/zinc/12/94/11/271129411.db2.gz JKXWZWFGHMLRLY-GFCCVEGCSA-N 0 0 301.350 0.716 10 0 DCAERN CCN(C1CCN([C@H](C(=O)OC)C2CC2)CC1)S(C)(=O)=O ZINC000359606967 271130585 /nfs/dbraw/zinc/13/05/85/271130585.db2.gz ZAPWGKQPSFIFFB-ZDUSSCGKSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359604111 271131142 /nfs/dbraw/zinc/13/11/42/271131142.db2.gz WFBFNMUOCDOLGQ-KBPBESRZSA-N 0 0 310.394 0.507 10 0 DCAERN C[C@@H](O)[C@@H](C)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275301 271177854 /nfs/dbraw/zinc/17/78/54/271177854.db2.gz JVPIBMXRZBCTPV-RKDXNWHRSA-N 0 0 315.347 0.538 10 0 DCAERN CCCN(CC(C)(C)O)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000443220113 271701961 /nfs/dbraw/zinc/70/19/61/271701961.db2.gz HVFIYFFZXZYKRC-VXGBXAGGSA-N 0 0 308.444 0.823 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@H](C3CC3)C2=O)c1 ZINC000445941223 271751711 /nfs/dbraw/zinc/75/17/11/271751711.db2.gz ISMFOXTVQHPIND-LLVKDONJSA-N 0 0 309.347 0.430 10 0 DCAERN CC1(C)C[C@H]1NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000448500685 271824679 /nfs/dbraw/zinc/82/46/79/271824679.db2.gz GALXXFURPJHQQK-GHMZBOCLSA-N 0 0 306.366 0.773 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1cn(C)nc1C ZINC000448866220 271835061 /nfs/dbraw/zinc/83/50/61/271835061.db2.gz CSBJCTHFPPHXIB-LBPRGKRZSA-N 0 0 310.423 0.651 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cn(C)nc2C)CC12COC2 ZINC000452259921 271912251 /nfs/dbraw/zinc/91/22/51/271912251.db2.gz JWDLWUYTYXZVFW-GFCCVEGCSA-N 0 0 307.350 0.380 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000457968463 271939572 /nfs/dbraw/zinc/93/95/72/271939572.db2.gz ILNVWENFDRZAGJ-BXUZGUMPSA-N 0 0 321.356 0.881 10 0 DCAERN Cc1ccc(OCCC(=O)NC[C@@H](O)Cn2ccnn2)cc1C ZINC000458125469 271942679 /nfs/dbraw/zinc/94/26/79/271942679.db2.gz BIXAGXABFQHTDK-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN Cc1cccc(CC(=O)NC[C@@H](O)Cn2ccnn2)c1Cl ZINC000458148094 271944442 /nfs/dbraw/zinc/94/44/42/271944442.db2.gz STUMAKVFRPYDPV-GFCCVEGCSA-N 0 0 308.769 0.960 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148159 271944719 /nfs/dbraw/zinc/94/47/19/271944719.db2.gz SWGDDOKEWQQJDV-CMPLNLGQSA-N 0 0 324.768 0.876 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C12CCC2 ZINC000458452074 271958821 /nfs/dbraw/zinc/95/88/21/271958821.db2.gz WQOZFVVXPKNADP-JHJVBQTASA-N 0 0 323.397 0.286 10 0 DCAERN CCO[C@@H](CCNC(=O)NC[C@@H](O)Cn1ccnn1)C(C)C ZINC000458526508 271961037 /nfs/dbraw/zinc/96/10/37/271961037.db2.gz XOPUNLAQWDDETH-OLZOCXBDSA-N 0 0 313.402 0.389 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000459264211 271989507 /nfs/dbraw/zinc/98/95/07/271989507.db2.gz ZIMSIJXCIHTLSN-WHOHXGKFSA-N 0 0 313.398 0.786 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000459788638 272009117 /nfs/dbraw/zinc/00/91/17/272009117.db2.gz SCDCBXINUQYHJF-CABCVRRESA-N 0 0 320.389 0.235 10 0 DCAERN CN(C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1)C1CCCCC1 ZINC000459811652 272010730 /nfs/dbraw/zinc/01/07/30/272010730.db2.gz WQVVOVXJKFEIJV-KRWDZBQOSA-N 0 0 321.421 0.906 10 0 DCAERN CC(C)OCCN1CCN(C(=O)C(=O)N(C)CC2CC2)CC1 ZINC000460005407 272023831 /nfs/dbraw/zinc/02/38/31/272023831.db2.gz DFGNXRIWGSTVFX-UHFFFAOYSA-N 0 0 311.426 0.424 10 0 DCAERN CN(Cc1ccnn1C)C(=O)NCC(=O)NCC(F)(F)F ZINC000471660952 272028697 /nfs/dbraw/zinc/02/86/97/272028697.db2.gz YMQZBPXWUXLKMJ-UHFFFAOYSA-N 0 0 307.276 0.240 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000471672801 272029904 /nfs/dbraw/zinc/02/99/04/272029904.db2.gz YSEGRJYRYHFDTC-NWDGAFQWSA-N 0 0 322.427 0.015 10 0 DCAERN CNC(=O)Cn1nc(NS(=O)(=O)N2CCC[C@@H]2C)cc1C ZINC000471967113 272034214 /nfs/dbraw/zinc/03/42/14/272034214.db2.gz YJOBAXLQHYNMAZ-VIFPVBQESA-N 0 0 315.399 0.079 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC(C)C ZINC000487367382 272040449 /nfs/dbraw/zinc/04/04/49/272040449.db2.gz MUDZAZRHXWKVHX-MNOVXSKESA-N 0 0 322.427 0.408 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N[C@H]2CCCC(F)(F)C2)c1=O ZINC000488967784 272054399 /nfs/dbraw/zinc/05/43/99/272054399.db2.gz BOJHDYCUNZFWBO-VIFPVBQESA-N 0 0 301.293 0.241 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)NCCn3ncnn3)cc21 ZINC000489082567 272056442 /nfs/dbraw/zinc/05/64/42/272056442.db2.gz NBQPKLUXVPDCNX-UHFFFAOYSA-N 0 0 313.321 0.347 10 0 DCAERN O=C(NCC(=O)N1CCCC1)NC[C@H](CO)c1ccccc1 ZINC000489623719 272064398 /nfs/dbraw/zinc/06/43/98/272064398.db2.gz RNLBVDCTRZPFRM-CQSZACIVSA-N 0 0 305.378 0.684 10 0 DCAERN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C[C@@H](O)C2(CC2)C1 ZINC000494714648 272228777 /nfs/dbraw/zinc/22/87/77/272228777.db2.gz XTEYYSLOFHUBGC-JKSUJKDBSA-N 0 0 316.401 0.760 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCC(F)(F)C2)O1 ZINC000495034312 272236646 /nfs/dbraw/zinc/23/66/46/272236646.db2.gz BFCOFSOFXXMBHC-AEJSXWLSSA-N 0 0 305.325 0.896 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)COc2ccccc2)n1 ZINC000505570312 272392340 /nfs/dbraw/zinc/39/23/40/272392340.db2.gz HXCYAHHLUBIYNO-UHFFFAOYSA-N 0 0 302.286 0.678 10 0 DCAERN CCOCCCNC(=O)[C@H](C)[S@](=O)Cc1cnc(C)nc1 ZINC000505726441 272393324 /nfs/dbraw/zinc/39/33/24/272393324.db2.gz LGSZKFZDXVAQMZ-WIUDPPPLSA-N 0 0 313.423 0.965 10 0 DCAERN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cccc3ncnn32)C1 ZINC000518473711 272485943 /nfs/dbraw/zinc/48/59/43/272485943.db2.gz VHIHTBQAZDIETH-NSHDSACASA-N 0 0 322.390 0.769 10 0 DCAERN CNC(=O)C1(C(=O)NCC[C@@H]2COc3ccccc3O2)CC1 ZINC000520306318 272515561 /nfs/dbraw/zinc/51/55/61/272515561.db2.gz OFSDSTGBRWGVAZ-LLVKDONJSA-N 0 0 304.346 0.859 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530073526 272724489 /nfs/dbraw/zinc/72/44/89/272724489.db2.gz RIDHMBMCHCUYCF-PBMXDMTDSA-N 0 0 312.435 0.899 10 0 DCAERN CCN(C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533035735 272799953 /nfs/dbraw/zinc/79/99/53/272799953.db2.gz XZAGSPUFOQSIQH-HZSPNIEDSA-N 0 0 321.439 0.052 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN2c2ncc(Cl)cn2)CC1 ZINC000301489340 273894055 /nfs/dbraw/zinc/89/40/55/273894055.db2.gz KZTMUGBCMHRMHB-LBPRGKRZSA-N 0 0 309.801 0.873 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCC(=O)NCc2ccco2)C1 ZINC000534528897 287817186 /nfs/dbraw/zinc/81/71/86/287817186.db2.gz XJIXUDBTTVCFKV-HNNXBMFYSA-N 0 0 307.350 0.271 10 0 DCAERN CCN(CC(=O)OC)C(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000536548283 287856825 /nfs/dbraw/zinc/85/68/25/287856825.db2.gz CCHIQIDWRPNNOE-OAHLLOKOSA-N 0 0 318.373 0.981 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000333372978 276081042 /nfs/dbraw/zinc/08/10/42/276081042.db2.gz MSSXKECRSOBGJL-TXEJJXNPSA-N 0 0 310.402 0.200 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@@H]1C ZINC000117283277 276319565 /nfs/dbraw/zinc/31/95/65/276319565.db2.gz UVANOGFSDOCWSJ-UONOGXRCSA-N 0 0 311.426 0.424 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3COc4ccccc4C3)CC[C@@H]21 ZINC000286323399 276880012 /nfs/dbraw/zinc/88/00/12/276880012.db2.gz NZUPYFJIAOTUEI-MJBXVCDLSA-N 0 0 315.373 0.862 10 0 DCAERN C[C@H](Cc1ccncc1)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000541809307 287926605 /nfs/dbraw/zinc/92/66/05/287926605.db2.gz BPMAZSAZHKSZJT-HIFRSBDPSA-N 0 0 304.394 0.739 10 0 DCAERN CC(C)(C)N1C[C@H](c2nc([C@@H]3CN4CCN3CC4)no2)CC1=O ZINC000329701281 277164377 /nfs/dbraw/zinc/16/43/77/277164377.db2.gz HHZTUJJDQYFQAS-NEPJUHHUSA-N 0 0 319.409 0.856 10 0 DCAERN COCCN([C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCOC1 ZINC000333458288 277218402 /nfs/dbraw/zinc/21/84/02/277218402.db2.gz TXXZYXLFPWYGKK-LSDHHAIUSA-N 0 0 312.410 0.504 10 0 DCAERN CN1CCOC[C@H]1C(=O)NCc1ccccc1-n1cccn1 ZINC000542817569 287948528 /nfs/dbraw/zinc/94/85/28/287948528.db2.gz XHGZZFVOCVALOO-HNNXBMFYSA-N 0 0 300.362 0.819 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543389925 287957188 /nfs/dbraw/zinc/95/71/88/287957188.db2.gz ALGGQHPVBMBBRI-SNVBAGLBSA-N 0 0 302.338 0.263 10 0 DCAERN O=C(N[C@H](CCO)C1CCOCC1)c1cn2cccnc2n1 ZINC000545186978 287987363 /nfs/dbraw/zinc/98/73/63/287987363.db2.gz XWVXWMOUCOYGHA-GFCCVEGCSA-N 0 0 304.350 0.637 10 0 DCAERN CS(=O)(=O)Cc1noc(NC(=O)NCCCC2CC2)n1 ZINC000545195485 287987991 /nfs/dbraw/zinc/98/79/91/287987991.db2.gz UOYAYGNYYUGQIF-UHFFFAOYSA-N 0 0 302.356 0.348 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000408424299 278006860 /nfs/dbraw/zinc/00/68/60/278006860.db2.gz UVGLQUHVEVVYIR-MXWKQRLJSA-N 0 0 308.300 0.912 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cccnc1N(C)C ZINC000195078965 278063382 /nfs/dbraw/zinc/06/33/82/278063382.db2.gz JPXOUJUBOSBSHE-GFCCVEGCSA-N 0 0 308.407 0.685 10 0 DCAERN CCc1nncn1CCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000545968175 288008125 /nfs/dbraw/zinc/00/81/25/288008125.db2.gz CMGKHSBVLFQVAX-OAHLLOKOSA-N 0 0 320.397 0.152 10 0 DCAERN COc1ccnc(N2CCN([C@H](C)CN3CCOCC3)CC2)n1 ZINC000091510985 278066132 /nfs/dbraw/zinc/06/61/32/278066132.db2.gz SDWVMTIOZHRWCA-CQSZACIVSA-N 0 0 321.425 0.328 10 0 DCAERN CC(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183732432 278093331 /nfs/dbraw/zinc/09/33/31/278093331.db2.gz YMJAYQWXRDMGPN-CQSZACIVSA-N 0 0 307.325 0.270 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000408053503 278531331 /nfs/dbraw/zinc/53/13/31/278531331.db2.gz VCQIJVOSCCNOOB-RBSFLKMASA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)CCN1CCO ZINC000547649728 288065193 /nfs/dbraw/zinc/06/51/93/288065193.db2.gz NAKVTSIJHPYBOO-NSHDSACASA-N 0 0 324.450 0.569 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000547657434 288066213 /nfs/dbraw/zinc/06/62/13/288066213.db2.gz GMLALVQHOIPUCO-UHFFFAOYSA-N 0 0 316.361 0.663 10 0 DCAERN O=C(N[C@@H]1CCn2ccnc2C1)N1CCSC[C@@H]1CCO ZINC000547680006 288068190 /nfs/dbraw/zinc/06/81/90/288068190.db2.gz UNUSYCPVBJKDEW-NEPJUHHUSA-N 0 0 310.423 0.707 10 0 DCAERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)CN2CCOCC2=O)[nH]1 ZINC000547735908 288074214 /nfs/dbraw/zinc/07/42/14/288074214.db2.gz BENRFWQFMZNCAM-ZJUUUORDSA-N 0 0 309.370 0.354 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000547793943 288080047 /nfs/dbraw/zinc/08/00/47/288080047.db2.gz AVJJDZCYLZVGBY-NSHDSACASA-N 0 0 313.379 0.198 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCC(=O)N2CCc3ccccc32)CC1 ZINC000548086094 288110287 /nfs/dbraw/zinc/11/02/87/288110287.db2.gz CXOJINXLWBNAMO-UHFFFAOYSA-N 0 0 315.373 0.560 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCCc4nc[nH]c43)CCO2)[nH]1 ZINC000548091795 288110596 /nfs/dbraw/zinc/11/05/96/288110596.db2.gz BIYSJRRRZPPVGR-JQWIXIFHSA-N 0 0 316.365 0.856 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)N1CCCCC1=O ZINC000328869263 279245941 /nfs/dbraw/zinc/24/59/41/279245941.db2.gz HNYCXUIJIIMOQU-KFWWJZLASA-N 0 0 323.437 0.709 10 0 DCAERN CN(C(=O)NCc1cccc(N2CCOCC2)n1)C1CC(O)C1 ZINC000548188939 288118693 /nfs/dbraw/zinc/11/86/93/288118693.db2.gz KWRQMADKMNMTTG-UHFFFAOYSA-N 0 0 320.393 0.583 10 0 DCAERN CCN1CCCN(C[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O ZINC000190176925 279290463 /nfs/dbraw/zinc/29/04/63/279290463.db2.gz TYTADFQFRPGGBT-CYBMUJFWSA-N 0 0 317.455 0.212 10 0 DCAERN Cn1cc(NC(=O)c2cccc3ncccc32)c(=O)n(C)c1=O ZINC000173088176 279345390 /nfs/dbraw/zinc/34/53/90/279345390.db2.gz BUFNAGSKCBQPLP-UHFFFAOYSA-N 0 0 310.313 0.885 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000370701360 279392868 /nfs/dbraw/zinc/39/28/68/279392868.db2.gz OQZGWRGBDVUEGA-CYBMUJFWSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H]1N1CCOCC1 ZINC000246294540 288142569 /nfs/dbraw/zinc/14/25/69/288142569.db2.gz BGGHOOKJOCWDHZ-VXGBXAGGSA-N 0 0 310.423 0.734 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173625343 279590117 /nfs/dbraw/zinc/59/01/17/279590117.db2.gz GZQLLXAWINXNMK-MNOVXSKESA-N 0 0 322.413 0.888 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000091785391 279592123 /nfs/dbraw/zinc/59/21/23/279592123.db2.gz CHQOYVPUOXMSTI-DGCLKSJQSA-N 0 0 304.346 0.656 10 0 DCAERN C[C@H]1CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c2ccccc21 ZINC000154463464 279757573 /nfs/dbraw/zinc/75/75/73/279757573.db2.gz HMGUCUSEFSQKSL-FZMZJTMJSA-N 0 0 317.389 0.946 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000548719653 288170633 /nfs/dbraw/zinc/17/06/33/288170633.db2.gz DENMTOVKOGUUDP-CPUCHLNUSA-N 0 0 320.389 0.484 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNC(=O)COc2cnn(C)c2)C[C@H](C)O1 ZINC000548847571 288181910 /nfs/dbraw/zinc/18/19/10/288181910.db2.gz XDYMUBKKFOCIKJ-BETUJISGSA-N 0 0 324.425 0.803 10 0 DCAERN CC(C)[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCO1 ZINC000408138268 280015351 /nfs/dbraw/zinc/01/53/51/280015351.db2.gz JJQKDBHRTZVMIN-UPJWGTAASA-N 0 0 306.428 0.697 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2CCCS2(=O)=O)C[C@]12CCCO2 ZINC000329465583 280041497 /nfs/dbraw/zinc/04/14/97/280041497.db2.gz RKUXAILFYQBHJX-UONOGXRCSA-N 0 0 316.423 0.438 10 0 DCAERN O=C(N[C@@H](CO)CC1CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000549110261 288192359 /nfs/dbraw/zinc/19/23/59/288192359.db2.gz FPAXBVWULRTTAG-CHWSQXEVSA-N 0 0 307.398 0.833 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@@]12CCCO2 ZINC000333418508 280051478 /nfs/dbraw/zinc/05/14/78/280051478.db2.gz RFXMLJQVQQXEOG-RBOXIYTFSA-N 0 0 323.393 0.733 10 0 DCAERN Cc1nnc(N2CCO[C@@H](C(N)=O)C2)n1Cc1ccccc1 ZINC000549156018 288193650 /nfs/dbraw/zinc/19/36/50/288193650.db2.gz UYYMMYJGLKZROF-CYBMUJFWSA-N 0 0 301.350 0.325 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549206946 288194912 /nfs/dbraw/zinc/19/49/12/288194912.db2.gz MUISYXIGRZOJSB-GXTWGEPZSA-N 0 0 319.409 0.524 10 0 DCAERN O=C(c1ccc2n[nH]nc2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172744724 280193697 /nfs/dbraw/zinc/19/36/97/280193697.db2.gz LLTFQGSUUZBRLY-LBPRGKRZSA-N 0 0 301.350 0.505 10 0 DCAERN Cc1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)nnn1C(C)C ZINC000550381318 288215726 /nfs/dbraw/zinc/21/57/26/288215726.db2.gz FCGXKQOYFQGPTB-LBPRGKRZSA-N 0 0 320.397 0.797 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCC13CCC3)C2 ZINC000550736512 288218592 /nfs/dbraw/zinc/21/85/92/288218592.db2.gz KSTIRGFWKJVAIL-ZDUSSCGKSA-N 0 0 314.389 0.914 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000551215289 288225329 /nfs/dbraw/zinc/22/53/29/288225329.db2.gz JWWFWLKDIMLFTF-KBPBESRZSA-N 0 0 318.373 0.921 10 0 DCAERN C[C@H](Cc1ccsc1)NC(=O)C(=O)NCc1ccn(C)n1 ZINC000551653341 288231865 /nfs/dbraw/zinc/23/18/65/288231865.db2.gz MNGUNWCGPKVXOT-SNVBAGLBSA-N 0 0 306.391 0.845 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NCCCc2nnc[nH]2)c1 ZINC000551941739 288247851 /nfs/dbraw/zinc/24/78/51/288247851.db2.gz PMCYTNZDZFVHAN-UHFFFAOYSA-N 0 0 322.390 0.961 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)CC[S@@](=O)C1 ZINC000277570384 288257749 /nfs/dbraw/zinc/25/77/49/288257749.db2.gz BAYAPTSIAIONFW-GIYNXVAASA-N 0 0 324.450 0.643 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@H]3CCC(=O)NC3=O)nn2)cc1 ZINC000152138005 280743111 /nfs/dbraw/zinc/74/31/11/280743111.db2.gz XDXMKQNACAVLSZ-NSHDSACASA-N 0 0 313.317 0.111 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCn3nnc(CO)c3C2)c1C ZINC000552469112 288276003 /nfs/dbraw/zinc/27/60/03/288276003.db2.gz NLXNXYWKZHBLBV-UHFFFAOYSA-N 0 0 317.349 0.574 10 0 DCAERN C[C@@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCOC1 ZINC000552741821 288279679 /nfs/dbraw/zinc/27/96/79/288279679.db2.gz IPPMUMXGJDTQDT-HNNXBMFYSA-N 0 0 302.334 0.816 10 0 DCAERN COCCOCCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552723637 288279683 /nfs/dbraw/zinc/27/96/83/288279683.db2.gz RAHAZZMXUOWEOB-UHFFFAOYSA-N 0 0 320.349 0.442 10 0 DCAERN Cn1cc(CCNC(=O)C(=O)Nc2ccc3nccn3c2)cn1 ZINC000552709989 288279701 /nfs/dbraw/zinc/27/97/01/288279701.db2.gz GCHMIPAMPZJLIK-UHFFFAOYSA-N 0 0 312.333 0.365 10 0 DCAERN O=C(NC[C@H]1CCCOC1)C(=O)Nc1ccc2nccn2c1 ZINC000553057180 288285455 /nfs/dbraw/zinc/28/54/55/288285455.db2.gz PYSAAHJZVJMSCA-LLVKDONJSA-N 0 0 302.334 0.816 10 0 DCAERN C[C@@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)C[C@H](C)O ZINC000553082626 288286113 /nfs/dbraw/zinc/28/61/13/288286113.db2.gz JOLAPDUUCPENMZ-MNOVXSKESA-N 0 0 304.350 0.796 10 0 DCAERN CC1(C)CN(C(=O)CSCC(N)=O)C[C@@]2(CCOC2)O1 ZINC000373694202 281165477 /nfs/dbraw/zinc/16/54/77/281165477.db2.gz GSKQTZXDDDKNNF-CYBMUJFWSA-N 0 0 302.396 0.001 10 0 DCAERN Cc1cc(CCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)on1 ZINC000553984692 288311725 /nfs/dbraw/zinc/31/17/25/288311725.db2.gz KGKBYLOUMVJVKG-HNNXBMFYSA-N 0 0 306.366 0.837 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)NCC(=O)N1CCCCC1 ZINC000407983804 281381666 /nfs/dbraw/zinc/38/16/66/281381666.db2.gz FPFUWRYUZDKCOP-NSHDSACASA-N 0 0 310.398 0.355 10 0 DCAERN Cn1cc(OCC(=O)NC2(CO)Cc3ccccc3C2)cn1 ZINC000554578706 288330469 /nfs/dbraw/zinc/33/04/69/288330469.db2.gz QCMYMWNGJHIUHV-UHFFFAOYSA-N 0 0 301.346 0.445 10 0 DCAERN CCOCc1nnc(N2CCN3CCOC[C@@H]3C2)n1CC(C)C ZINC000555354559 288349971 /nfs/dbraw/zinc/34/99/71/288349971.db2.gz XASBSVPPUYTTLO-AWEZNQCLSA-N 0 0 323.441 0.991 10 0 DCAERN O=C(CN1CCO[C@H](COc2ccccc2)C1)N1CCNC1=O ZINC000555448659 288351362 /nfs/dbraw/zinc/35/13/62/288351362.db2.gz YYPCBVRAALCWAH-AWEZNQCLSA-N 0 0 319.361 0.318 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2ccn(CC(=O)N(C)C)n2)C1=O ZINC000563710902 288699211 /nfs/dbraw/zinc/69/92/11/288699211.db2.gz WPLYGPYLKWHEMU-LWTINBJPSA-N 0 0 305.338 0.362 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000564750738 288765572 /nfs/dbraw/zinc/76/55/72/288765572.db2.gz ITFHZIUOODPRKF-TZMCWYRMSA-N 0 0 318.439 0.985 10 0 DCAERN COCC[C@H]1COCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000565195854 288828247 /nfs/dbraw/zinc/82/82/47/288828247.db2.gz NXEYSIQPLGLEBP-NSHDSACASA-N 0 0 307.350 0.937 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000181999228 288935616 /nfs/dbraw/zinc/93/56/16/288935616.db2.gz XMURQACQOBBFHM-AWEZNQCLSA-N 0 0 323.780 0.818 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCCO2)O1 ZINC000329715675 289024579 /nfs/dbraw/zinc/02/45/79/289024579.db2.gz VHHLATZJJPGESJ-SYQHCUMBSA-N 0 0 310.394 0.792 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000121030542 289331928 /nfs/dbraw/zinc/33/19/28/289331928.db2.gz SQLBGRWZNCWUQO-IJLUTSLNSA-N 0 0 312.414 0.014 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000408282640 290087338 /nfs/dbraw/zinc/08/73/38/290087338.db2.gz ZGVWHKOOUUHLDP-IHRRRGAJSA-N 0 0 311.426 0.158 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@H]21 ZINC000328864156 290114701 /nfs/dbraw/zinc/11/47/01/290114701.db2.gz GBHRKHLZUHMSFU-OLZOCXBDSA-N 0 0 303.428 0.122 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000175194627 290135729 /nfs/dbraw/zinc/13/57/29/290135729.db2.gz OJOZHBPNXJWQPO-UONOGXRCSA-N 0 0 324.425 0.113 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1=O ZINC000373986954 290304546 /nfs/dbraw/zinc/30/45/46/290304546.db2.gz VTCRCKNMDIACQD-XJFOESAGSA-N 0 0 309.410 0.942 10 0 DCAERN CNC(=O)NCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000408023803 290505007 /nfs/dbraw/zinc/50/50/07/290505007.db2.gz VLECAXAMMLJGLH-LLVKDONJSA-N 0 0 320.397 0.597 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)[C@H](C)CO1 ZINC000175836357 297058035 /nfs/dbraw/zinc/05/80/35/297058035.db2.gz SBTUSWCRRXCGFI-RKDXNWHRSA-N 0 0 324.353 0.722 10 0 DCAERN Cn1c2cccc(C(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)c2oc1=O ZINC000128934748 294184017 /nfs/dbraw/zinc/18/40/17/294184017.db2.gz BYFRBQCQWHVMBN-CHWSQXEVSA-N 0 0 317.345 0.287 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374731034 294295523 /nfs/dbraw/zinc/29/55/23/294295523.db2.gz ARIPUSHJPSFJGN-UPJWGTAASA-N 0 0 321.439 0.508 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[S@]1=O ZINC000408424057 297074452 /nfs/dbraw/zinc/07/44/52/297074452.db2.gz BYNDQOKAGZXVAO-IDFMNXDXSA-N 0 0 310.423 0.368 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288417635 294454997 /nfs/dbraw/zinc/45/49/97/294454997.db2.gz OFCQXPUJPDEVND-UHFFFAOYSA-N 0 0 321.358 0.982 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000056100579 295378525 /nfs/dbraw/zinc/37/85/25/295378525.db2.gz GXUCQLPHCUFCHN-GHMZBOCLSA-N 0 0 312.391 0.970 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)NCCC(=O)N1CCCCC1 ZINC000299686391 298930845 /nfs/dbraw/zinc/93/08/45/298930845.db2.gz ZJBDAFNKXAMYAZ-GFCCVEGCSA-N 0 0 308.386 0.368 10 0 DCAERN C[C@H]1CN(C(=O)C2(c3ccccc3)CC(=O)C2)CCS1(=O)=O ZINC000329573030 300114836 /nfs/dbraw/zinc/11/48/36/300114836.db2.gz NFVRFCPCFAYDSS-LBPRGKRZSA-N 0 0 321.398 0.933 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@@H]2CCCOC2)CC2(CCOCC2)O1 ZINC000333317047 300285518 /nfs/dbraw/zinc/28/55/18/300285518.db2.gz OTBWZWJYPUHUJZ-QWHCGFSZSA-N 0 0 319.423 0.765 10 0 DCAERN C[C@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS1(=O)=O ZINC000333229261 300286230 /nfs/dbraw/zinc/28/62/30/300286230.db2.gz XWEZHTBBQMFFSP-USZNOCQGSA-N 0 0 307.437 0.624 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)c1cc2nccnc2cc1F ZINC000347226678 303336119 /nfs/dbraw/zinc/33/61/19/303336119.db2.gz AKLHLAQGBNGFNL-JMCQJSRRSA-N 0 0 306.272 0.807 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N3CCNC(=O)C3)cc21 ZINC000570877482 332833567 /nfs/dbraw/zinc/83/35/67/332833567.db2.gz XPFCEGLPQTWIER-UHFFFAOYSA-N 0 0 300.318 0.502 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000332826494 332879483 /nfs/dbraw/zinc/87/94/83/332879483.db2.gz KOTSXAXJTPMSNI-RYUDHWBXSA-N 0 0 303.370 0.599 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]2NCCS(=O)(=O)[C@H]2CC1 ZINC000238137017 331746675 /nfs/dbraw/zinc/74/66/75/331746675.db2.gz MHOOPRKAHUGKAY-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN CCn1c(-c2cnn(C)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000570945202 333006495 /nfs/dbraw/zinc/00/64/95/333006495.db2.gz AITDFCKTTGQLSB-CYBMUJFWSA-N 0 0 317.397 0.219 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)NCC2(C)COC2)C1(C)C ZINC000188749538 333054645 /nfs/dbraw/zinc/05/46/45/333054645.db2.gz KEOFASLCGQMWPD-ABAIWWIYSA-N 0 0 300.399 0.888 10 0 DCAERN COC(C)(C)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000170961334 333230952 /nfs/dbraw/zinc/23/09/52/333230952.db2.gz SFRZKFZCNMGHDA-UHFFFAOYSA-N 0 0 314.407 0.647 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)NCCN1C(=O)CNC1=O ZINC000188815600 333251988 /nfs/dbraw/zinc/25/19/88/333251988.db2.gz GOENOLUNUHTTBB-UHFFFAOYSA-N 0 0 322.390 0.686 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)CCC(C)(C)O)CC2)n1 ZINC000583476550 333364843 /nfs/dbraw/zinc/36/48/43/333364843.db2.gz UTVQWGLXZGCVRK-UHFFFAOYSA-N 0 0 321.425 0.742 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000583643004 336011078 /nfs/dbraw/zinc/01/10/78/336011078.db2.gz DUERDIZWBYOAHY-GXTWGEPZSA-N 0 0 321.425 0.817 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000190465481 336263370 /nfs/dbraw/zinc/26/33/70/336263370.db2.gz HLIIFDDOPSYZRR-ONGXEEELSA-N 0 0 314.411 0.679 10 0 DCAERN C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@H]1C ZINC000582539831 337106738 /nfs/dbraw/zinc/10/67/38/337106738.db2.gz FIYXXMAUYHCASU-QWRGUYRKSA-N 0 0 302.334 0.909 10 0 DCAERN O=C(c1cnc2cncc(Br)c2n1)N1CC[C@H](O)C1 ZINC000584605343 337371385 /nfs/dbraw/zinc/37/13/85/337371385.db2.gz PNKFIIDPXYKNMU-ZETCQYMHSA-N 0 0 323.150 0.994 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCc3cc[nH]n3)C2)cn1 ZINC000174051263 341823299 /nfs/dbraw/zinc/82/32/99/341823299.db2.gz SCULQZONVDOQEX-LBPRGKRZSA-N 0 0 303.370 0.611 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000176335561 341869540 /nfs/dbraw/zinc/86/95/40/341869540.db2.gz KWVNYDZHBAUTMQ-JTQLQIEISA-N 0 0 307.375 0.932 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000577070405 341883487 /nfs/dbraw/zinc/88/34/87/341883487.db2.gz NUDLCULYMIXLEP-CQSZACIVSA-N 0 0 321.421 0.368 10 0 DCAERN CN1CCN(C(=O)NCC[C@@H]2COc3ccccc3O2)CC1=O ZINC000577255934 341900479 /nfs/dbraw/zinc/90/04/79/341900479.db2.gz GSEIDOBRYRTFMJ-GFCCVEGCSA-N 0 0 319.361 0.700 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@H](O)CC2)c(C2CC2)n1 ZINC000577306359 341903635 /nfs/dbraw/zinc/90/36/35/341903635.db2.gz ABIAWMRCJIEMPU-NSHDSACASA-N 0 0 306.366 0.609 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)N[C@]2(CCOC2)C1=O ZINC000349116466 341963279 /nfs/dbraw/zinc/96/32/79/341963279.db2.gz UJPACQMJSBGENN-BREBYQMCSA-N 0 0 316.379 0.053 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NCC1(OC)CCC1 ZINC000302054797 533831704 /nfs/dbraw/zinc/83/17/04/533831704.db2.gz YYVYTNNKTPPXRI-UHFFFAOYSA-N 0 0 305.338 0.980 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@H](C)C[S@@](C)=O)CC2)n[nH]1 ZINC000186832182 533898475 /nfs/dbraw/zinc/89/84/75/533898475.db2.gz TUSHFFZZSCYESG-WSVYEEACSA-N 0 0 313.427 0.317 10 0 DCAERN COc1ccc(CNC(=O)CN2CCOC[C@]23CCOC3)cc1 ZINC000193694004 518150931 /nfs/dbraw/zinc/15/09/31/518150931.db2.gz YVYWMYKAOGNPSY-QGZVFWFLSA-N 0 0 320.389 0.803 10 0 DCAERN Cc1nc(CN(C)c2cc(N3CCC[C@@H]3CO)ncn2)no1 ZINC000302149202 534344735 /nfs/dbraw/zinc/34/47/35/534344735.db2.gz HHDUJOMUWJAFMH-LLVKDONJSA-N 0 0 304.354 0.766 10 0 DCAERN CC(C)(O)CN(C1CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000188038449 519351493 /nfs/dbraw/zinc/35/14/93/519351493.db2.gz WKRCMJZMWYVLBF-UHFFFAOYSA-N 0 0 312.391 0.710 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000156393907 534431484 /nfs/dbraw/zinc/43/14/84/534431484.db2.gz BSVJLAGUXDQHIF-NEPJUHHUSA-N 0 0 310.398 0.342 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000366319637 519634463 /nfs/dbraw/zinc/63/44/63/519634463.db2.gz TXVQFYXVDLXLBI-SUHUHFCYSA-N 0 0 314.407 0.314 10 0 DCAERN CC(=O)NC1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C1 ZINC000190453315 519647718 /nfs/dbraw/zinc/64/77/18/519647718.db2.gz VXBCFGYHNYTISP-ZDUSSCGKSA-N 0 0 315.373 0.925 10 0 DCAERN CC(=O)NC1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000191479657 519647800 /nfs/dbraw/zinc/64/78/00/519647800.db2.gz OEJQREPQNYHDEE-UHFFFAOYSA-N 0 0 316.361 0.526 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000158851465 519678189 /nfs/dbraw/zinc/67/81/89/519678189.db2.gz ZUMGUWKJFFJLFM-AWEZNQCLSA-N 0 0 314.407 0.618 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN(C)[C@H](C)c2cnn(C)c2)C1 ZINC000246224290 519688095 /nfs/dbraw/zinc/68/80/95/519688095.db2.gz ZIKBRTLHEXVGFL-IUODEOHRSA-N 0 0 321.425 0.540 10 0 DCAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000246182215 519825650 /nfs/dbraw/zinc/82/56/50/519825650.db2.gz KUHXQHLZMOFYPH-UTUOFQBUSA-N 0 0 307.398 0.954 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C[C@H]1COC(=O)C1)CC2 ZINC000154776633 519871109 /nfs/dbraw/zinc/87/11/09/519871109.db2.gz AZEWRVHZXUIYOY-MNOVXSKESA-N 0 0 306.366 0.786 10 0 DCAERN CCCNC(=O)c1cccc(C(=O)N2CC(NC(C)=O)C2)c1 ZINC000191492946 519901419 /nfs/dbraw/zinc/90/14/19/519901419.db2.gz ZNDSVTUWTIROTJ-UHFFFAOYSA-N 0 0 303.362 0.787 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000191566399 520192624 /nfs/dbraw/zinc/19/26/24/520192624.db2.gz RDVASDXBBYSXMP-SNVBAGLBSA-N 0 0 304.350 0.313 10 0 DCAERN C[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000187661778 534477493 /nfs/dbraw/zinc/47/74/93/534477493.db2.gz VBQITSUSLPCIAM-ZBFHGGJFSA-N 0 0 305.422 0.814 10 0 DCAERN CCO[C@H](C)c1noc(CN2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000246864696 520491493 /nfs/dbraw/zinc/49/14/93/520491493.db2.gz ABKAXRQXOVFDEM-VHSXEESVSA-N 0 0 303.384 0.786 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000115955876 520691832 /nfs/dbraw/zinc/69/18/32/520691832.db2.gz RXAWGQRBKTVVQY-LBPRGKRZSA-N 0 0 315.395 0.840 10 0 DCAERN O=C(NCCc1nnc2n1CCCC2)c1c(O)cccc1O ZINC000166341110 534510685 /nfs/dbraw/zinc/51/06/85/534510685.db2.gz LLQSQFXDDSUVAB-UHFFFAOYSA-N 0 0 302.334 0.998 10 0 DCAERN CCC[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000152569053 521199143 /nfs/dbraw/zinc/19/91/43/521199143.db2.gz AFGMWUZMGIDPHB-HNNXBMFYSA-N 0 0 319.405 0.912 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)CCc1nccs1 ZINC000156331589 521654451 /nfs/dbraw/zinc/65/44/51/521654451.db2.gz GJQVKRJYZODUFO-UHFFFAOYSA-N 0 0 305.425 0.426 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000127720206 521670411 /nfs/dbraw/zinc/67/04/11/521670411.db2.gz MANRQISMYOPIAL-NSHDSACASA-N 0 0 318.420 0.587 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCOC[C@@H]2c2nc(C)no2)CC1=O ZINC000121106341 521726244 /nfs/dbraw/zinc/72/62/44/521726244.db2.gz QIYCPBHXJLYRDK-WDEREUQCSA-N 0 0 308.338 0.146 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCC(=O)Nc1ccccc1 ZINC000158504736 521749341 /nfs/dbraw/zinc/74/93/41/521749341.db2.gz QLQZVYJOHDBQQU-CYBMUJFWSA-N 0 0 318.377 0.935 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCn2cnnc2C1 ZINC000264497520 521912564 /nfs/dbraw/zinc/91/25/64/521912564.db2.gz XKIUHVRDAFEBTI-MNOVXSKESA-N 0 0 323.422 0.568 10 0 DCAERN CN(C)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)ccn1 ZINC000268320278 522117150 /nfs/dbraw/zinc/11/71/50/522117150.db2.gz BPKZOUUQPHLALK-UHFFFAOYSA-N 0 0 311.407 0.797 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CC[C@H](OC)C2)CC1 ZINC000372716625 522170547 /nfs/dbraw/zinc/17/05/47/522170547.db2.gz OMJRPILSMHZBIF-QWRGUYRKSA-N 0 0 319.427 0.277 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1cncc(Br)c1 ZINC000156185234 522184964 /nfs/dbraw/zinc/18/49/64/522184964.db2.gz KBWLHAJZMXMRRM-UHFFFAOYSA-N 0 0 308.157 0.332 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000190222695 522206470 /nfs/dbraw/zinc/20/64/70/522206470.db2.gz KUVYJPGQZYVEKW-CYBMUJFWSA-N 0 0 310.398 0.058 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000154411626 522353744 /nfs/dbraw/zinc/35/37/44/522353744.db2.gz XDPQWOQASDNBCD-WDEREUQCSA-N 0 0 306.370 0.708 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOCCOC ZINC000154180276 522508742 /nfs/dbraw/zinc/50/87/42/522508742.db2.gz VITSVGSWFHIVDI-NSHDSACASA-N 0 0 311.386 0.638 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000246633837 522639386 /nfs/dbraw/zinc/63/93/86/522639386.db2.gz DAUGYLKPUUMISZ-VHSXEESVSA-N 0 0 306.409 0.881 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccncc2C)CC1 ZINC000188307841 522814005 /nfs/dbraw/zinc/81/40/05/522814005.db2.gz ZVMDUYVLIYYOOO-HNNXBMFYSA-N 0 0 306.410 0.988 10 0 DCAERN COc1cc(S(=O)(=O)N[C@@H](C)c2nc[nH]n2)ccc1F ZINC000190817721 522898208 /nfs/dbraw/zinc/89/82/08/522898208.db2.gz KCUKWEHRMKZWIY-ZETCQYMHSA-N 0 0 300.315 0.992 10 0 DCAERN COCCCCS(=O)(=O)NCc1cccc(C(N)=O)c1 ZINC000133292054 523186577 /nfs/dbraw/zinc/18/65/77/523186577.db2.gz QDGGXONQJRIFSI-UHFFFAOYSA-N 0 0 300.380 0.632 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158813767 523204216 /nfs/dbraw/zinc/20/42/16/523204216.db2.gz WLGLJDVHMVZVLL-LURJTMIESA-N 0 0 305.256 0.823 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000191771795 523464313 /nfs/dbraw/zinc/46/43/13/523464313.db2.gz KQVFHAQQLQMSPF-YPMHNXCESA-N 0 0 306.366 0.281 10 0 DCAERN COC(=O)[C@@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105921939 523532969 /nfs/dbraw/zinc/53/29/69/523532969.db2.gz NHZZBPHGGWCACG-HUUCEWRRSA-N 0 0 322.405 0.605 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)NCCn2cc(C)cn2)c1C ZINC000153185370 523646735 /nfs/dbraw/zinc/64/67/35/523646735.db2.gz SENICWNECGBWJR-UHFFFAOYSA-N 0 0 318.381 0.780 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000364242624 523701609 /nfs/dbraw/zinc/70/16/09/523701609.db2.gz AVPDWEJHNLAIIG-ZENOOKHLSA-N 0 0 311.378 0.984 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H]2CC[C@@H](O)C2)[C@H]1c1cccnc1 ZINC000248872546 523706089 /nfs/dbraw/zinc/70/60/89/523706089.db2.gz BBXCPUKXACYEJI-OEYIWLLWSA-N 0 0 317.389 0.878 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](C)CS(C)(=O)=O)[C@H]2C1 ZINC000158265994 523709184 /nfs/dbraw/zinc/70/91/84/523709184.db2.gz RVXFVDXGXCJYTD-CRWXNKLISA-N 0 0 305.440 0.935 10 0 DCAERN COC(=O)[C@@H]1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C ZINC000249071011 523717872 /nfs/dbraw/zinc/71/78/72/523717872.db2.gz LAHWHMRPAZAAAP-YIYPIFLZSA-N 0 0 312.410 0.801 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC[C@@H]1C ZINC000191300606 523729381 /nfs/dbraw/zinc/72/93/81/523729381.db2.gz FPQFVYPTPJMHER-GXFFZTMASA-N 0 0 321.377 0.516 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000190733763 523828400 /nfs/dbraw/zinc/82/84/00/523828400.db2.gz FJEXYXKOCDHMPF-MRXNPFEDSA-N 0 0 322.336 0.996 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000247243970 523892046 /nfs/dbraw/zinc/89/20/46/523892046.db2.gz ZJIRFMQWQFOEIX-CYBMUJFWSA-N 0 0 316.405 0.667 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)C1=O ZINC000163824550 523965806 /nfs/dbraw/zinc/96/58/06/523965806.db2.gz XWSUGSFQQQZBFH-NXEZZACHSA-N 0 0 310.379 0.457 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163711675 523984507 /nfs/dbraw/zinc/98/45/07/523984507.db2.gz GUBJCZCRWLHFSG-RYUDHWBXSA-N 0 0 314.345 0.940 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158658128 523992945 /nfs/dbraw/zinc/99/29/45/523992945.db2.gz MSWSVOBCUWIFDO-ZETCQYMHSA-N 0 0 318.299 0.738 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@](C)(O)c2cccs2)CCC1=O ZINC000154426385 524023742 /nfs/dbraw/zinc/02/37/42/524023742.db2.gz MCPMUZNAVPAALS-QMTHXVAHSA-N 0 0 311.407 0.876 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(C)C(=O)C2(C)C)cc1 ZINC000129795234 524050542 /nfs/dbraw/zinc/05/05/42/524050542.db2.gz OYRPSDPVUHHILV-UHFFFAOYSA-N 0 0 319.405 0.864 10 0 DCAERN Cc1cccc(-c2noc(Cn3nnc4c(cnn4C)c3=O)n2)c1 ZINC000154419728 524134652 /nfs/dbraw/zinc/13/46/52/524134652.db2.gz JAGFMHXYPOERGD-UHFFFAOYSA-N 0 0 323.316 0.932 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247434952 524324653 /nfs/dbraw/zinc/32/46/53/524324653.db2.gz WXXLCGZGHDVIBR-IJLUTSLNSA-N 0 0 310.398 0.341 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000246271939 524595641 /nfs/dbraw/zinc/59/56/41/524595641.db2.gz APFGYSAZKYVUFT-DGCLKSJQSA-N 0 0 312.391 0.306 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CCS1(=O)=O ZINC000159185901 524661292 /nfs/dbraw/zinc/66/12/92/524661292.db2.gz RRONJCXKINPENO-VIFPVBQESA-N 0 0 307.368 0.633 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000182913778 524682225 /nfs/dbraw/zinc/68/22/25/524682225.db2.gz YOEDQSMIVORICV-GJEGPGMTSA-N 0 0 309.434 0.648 10 0 DCAERN O=C(NCC1(CCO)CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157542177 534807726 /nfs/dbraw/zinc/80/77/26/534807726.db2.gz IEOSJTGFEBFFJL-VIFPVBQESA-N 0 0 308.300 0.676 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1F ZINC000249462419 524797349 /nfs/dbraw/zinc/79/73/49/524797349.db2.gz PGAQNJFPCYIXDJ-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)[nH]n1 ZINC000124346921 524823347 /nfs/dbraw/zinc/82/33/47/524823347.db2.gz BGHHFCMBYDNEEX-KOLCDFICSA-N 0 0 314.411 0.478 10 0 DCAERN COc1ccnc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1 ZINC000157022597 524842778 /nfs/dbraw/zinc/84/27/78/524842778.db2.gz GTBXETWHDYWFBL-LBPRGKRZSA-N 0 0 308.382 0.541 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 ZINC000266264484 524851540 /nfs/dbraw/zinc/85/15/40/524851540.db2.gz YNGDOGPULLTEMW-PWSUYJOCSA-N 0 0 323.418 0.640 10 0 DCAERN C[C@H](NC(=O)CN1CCC[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000249870080 524954148 /nfs/dbraw/zinc/95/41/48/524954148.db2.gz JIMRKLAOLGKPAS-NWDGAFQWSA-N 0 0 324.450 0.915 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000190055652 525036862 /nfs/dbraw/zinc/03/68/62/525036862.db2.gz PXKMPXGMAIRIGU-MFKMUULPSA-N 0 0 312.391 0.425 10 0 DCAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1cnn(C)c1 ZINC000267576151 525045507 /nfs/dbraw/zinc/04/55/07/525045507.db2.gz FOMMILJDXOFSJN-IPYPFGDCSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1cnn(C)c1 ZINC000267576153 525047464 /nfs/dbraw/zinc/04/74/64/525047464.db2.gz FOMMILJDXOFSJN-KCQAQPDRSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000364781748 525116179 /nfs/dbraw/zinc/11/61/79/525116179.db2.gz HALCJTFYKFOZGN-CHWSQXEVSA-N 0 0 307.398 0.819 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[C@H]1CCCO1 ZINC000246059226 525182058 /nfs/dbraw/zinc/18/20/58/525182058.db2.gz AYAHGNCTQQMNJH-APIJFGDWSA-N 0 0 311.426 0.916 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)NC(C)(C)C)c1nnc2n1CCCC2 ZINC000157213935 525191658 /nfs/dbraw/zinc/19/16/58/525191658.db2.gz YSBJJQLJQBEDMG-SNVBAGLBSA-N 0 0 322.413 0.889 10 0 DCAERN C[S@](=O)CCC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000154840614 525381849 /nfs/dbraw/zinc/38/18/49/525381849.db2.gz ZCCDQWINAXMWSI-ZUOKHONESA-N 0 0 320.480 0.079 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)ccc1F ZINC000249489154 525398245 /nfs/dbraw/zinc/39/82/45/525398245.db2.gz XVCSSDGODUQZAB-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@H](O)CN(C(=O)NCc1ccc(CO)c(F)c1)[C@@H](C)CO ZINC000190437709 525734474 /nfs/dbraw/zinc/73/44/74/525734474.db2.gz FLWOWDZAGYGFMX-QWRGUYRKSA-N 0 0 314.357 0.591 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1C ZINC000245979130 525756081 /nfs/dbraw/zinc/75/60/81/525756081.db2.gz AOTOGHFCMIJZQN-NEPJUHHUSA-N 0 0 322.413 0.461 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)Cc1ccc(Cl)nc1 ZINC000193810625 525925891 /nfs/dbraw/zinc/92/58/91/525925891.db2.gz YMAXCJLORJYMMV-SECBINFHSA-N 0 0 319.814 0.973 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000154074438 526094299 /nfs/dbraw/zinc/09/42/99/526094299.db2.gz IHXGOMLHMHPRSR-JTQLQIEISA-N 0 0 310.737 0.813 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000191104022 526135581 /nfs/dbraw/zinc/13/55/81/526135581.db2.gz VGRNTJBWMCFIQZ-GFCCVEGCSA-N 0 0 323.393 0.498 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC1(CO)CCC1 ZINC000194603391 526208388 /nfs/dbraw/zinc/20/83/88/526208388.db2.gz GYTQCJKXDTURMX-SNVBAGLBSA-N 0 0 306.366 0.824 10 0 DCAERN O=C(NCCc1cccc(Cl)c1)C1CC2(C1)NC(=O)NC2=O ZINC000154592272 526414975 /nfs/dbraw/zinc/41/49/75/526414975.db2.gz NTYRUECTQQNUQL-UHFFFAOYSA-N 0 0 321.764 0.987 10 0 DCAERN O=C(CCCOc1ccccc1F)N[C@H]1CCC(=O)NC1=O ZINC000152187255 526451741 /nfs/dbraw/zinc/45/17/41/526451741.db2.gz AYEFVDDLKWWHDJ-NSHDSACASA-N 0 0 308.309 0.906 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000176274078 526479582 /nfs/dbraw/zinc/47/95/82/526479582.db2.gz QEJSUAFGSFUANG-KBPBESRZSA-N 0 0 315.377 0.668 10 0 DCAERN Cc1noc(C)c1CCNC(=O)CNC(=O)c1cccnc1 ZINC000164765920 526492458 /nfs/dbraw/zinc/49/24/58/526492458.db2.gz QRPGNCSYECURAC-UHFFFAOYSA-N 0 0 302.334 0.775 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000187888474 526529615 /nfs/dbraw/zinc/52/96/15/526529615.db2.gz MFWJGPMHIXUMOK-IUODEOHRSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000330843175 526681094 /nfs/dbraw/zinc/68/10/94/526681094.db2.gz UCGWBZYPPMDURP-LBPRGKRZSA-N 0 0 322.390 0.643 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1nc(C(F)(F)F)cs1 ZINC000153063384 526722627 /nfs/dbraw/zinc/72/26/27/526722627.db2.gz GQBCMVRZQRNDBV-UHFFFAOYSA-N 0 0 322.268 0.330 10 0 DCAERN Cc1oc(C(=O)N(C)[C@H]2CCOC2)cc1S(=O)(=O)N(C)C ZINC000267850665 526757933 /nfs/dbraw/zinc/75/79/33/526757933.db2.gz LHMKFIDEGVRHBT-JTQLQIEISA-N 0 0 316.379 0.699 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cn(C(C)C)cn2)C1 ZINC000151937664 526901212 /nfs/dbraw/zinc/90/12/12/526901212.db2.gz SVGXHXFFOQWDMK-LBPRGKRZSA-N 0 0 314.411 0.753 10 0 DCAERN CC(C)(C)n1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nn1 ZINC000189263588 526915683 /nfs/dbraw/zinc/91/56/83/526915683.db2.gz IJWYILLYBBRELH-UHFFFAOYSA-N 0 0 314.411 0.682 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000247974937 527021241 /nfs/dbraw/zinc/02/12/41/527021241.db2.gz KPRQVNGLUHTXDG-DVOMOZLQSA-N 0 0 309.410 0.992 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000190156347 527259425 /nfs/dbraw/zinc/25/94/25/527259425.db2.gz BUNJPRJPNKXTKF-GFCCVEGCSA-N 0 0 302.338 0.836 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCOC[C@H](O)C2)cc1 ZINC000295614996 527312459 /nfs/dbraw/zinc/31/24/59/527312459.db2.gz OAGOXAMMDGQHSN-XHDPSFHLSA-N 0 0 306.362 0.909 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)CN3CCCCCC3=O)CCO2)cn1 ZINC000267670540 527319458 /nfs/dbraw/zinc/31/94/58/527319458.db2.gz LDRUPWPLFOKZTN-CQSZACIVSA-N 0 0 320.393 0.723 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCOC[C@H](O)C2)c1 ZINC000295657640 527379323 /nfs/dbraw/zinc/37/93/23/527379323.db2.gz QOEGYFQTEKPPNG-HUUCEWRRSA-N 0 0 309.362 0.322 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000331323620 527412540 /nfs/dbraw/zinc/41/25/40/527412540.db2.gz NBCYAKDOFQWMRU-NSHDSACASA-N 0 0 322.365 0.671 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000163493340 527418984 /nfs/dbraw/zinc/41/89/84/527418984.db2.gz QZMMSAFOYSYPJY-STQMWFEESA-N 0 0 316.361 0.524 10 0 DCAERN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc2c(cn1)nc[nH]c2=O ZINC000188114550 527494707 /nfs/dbraw/zinc/49/47/07/527494707.db2.gz MKIBPHAJRMJBLE-UHFFFAOYSA-N 0 0 311.305 0.956 10 0 DCAERN Cn1nccc1CCC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000132048729 527602171 /nfs/dbraw/zinc/60/21/71/527602171.db2.gz YIZDFPAGXBHRCI-AWEZNQCLSA-N 0 0 304.325 0.835 10 0 DCAERN CC(C)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1=O ZINC000189217383 527999928 /nfs/dbraw/zinc/99/99/28/527999928.db2.gz RBFWBFBYMCTNSE-UHFFFAOYSA-N 0 0 320.397 0.875 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000183778024 528331265 /nfs/dbraw/zinc/33/12/65/528331265.db2.gz XKBDICXHFNMDST-GFCCVEGCSA-N 0 0 303.428 0.516 10 0 DCAERN CCOC1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000295608482 528549928 /nfs/dbraw/zinc/54/99/28/528549928.db2.gz NRDSOFIMJMZPRM-UHFFFAOYSA-N 0 0 318.782 0.848 10 0 DCAERN CCCc1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)n(C)n1 ZINC000189283986 528606579 /nfs/dbraw/zinc/60/65/79/528606579.db2.gz LRKLJHXHZWXYOX-LBPRGKRZSA-N 0 0 309.414 0.903 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000151934184 528614766 /nfs/dbraw/zinc/61/47/66/528614766.db2.gz FLKTVVKDETVKLV-MNOVXSKESA-N 0 0 314.411 0.739 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000163657685 528680131 /nfs/dbraw/zinc/68/01/31/528680131.db2.gz DCXDBTMRTMZJLR-GHMZBOCLSA-N 0 0 321.381 0.515 10 0 DCAERN COc1cc(C)cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)c1C ZINC000453984167 536639483 /nfs/dbraw/zinc/63/94/83/536639483.db2.gz TUPOKTODWZTMIC-TZMCWYRMSA-N 0 0 322.361 0.469 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCO[C@@H](C(=O)OC)C2)c1 ZINC000457510647 536879573 /nfs/dbraw/zinc/87/95/73/536879573.db2.gz CFIITZARYRGDCZ-CYBMUJFWSA-N 0 0 321.329 0.796 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@H](C)C(=O)NCCF)c1 ZINC000457785375 536882652 /nfs/dbraw/zinc/88/26/52/536882652.db2.gz ZUBIDRBTRNPRJM-SNVBAGLBSA-N 0 0 310.325 0.986 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246286084 545964281 /nfs/dbraw/zinc/96/42/81/545964281.db2.gz BYLJXELXDCFFGZ-CHWSQXEVSA-N 0 0 304.412 0.486 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000401914581 546226546 /nfs/dbraw/zinc/22/65/46/546226546.db2.gz ZRSDEJLSAIKQNN-GFCCVEGCSA-N 0 0 304.343 0.383 10 0 DCAERN CCOc1ccc([C@@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000026052341 545642742 /nfs/dbraw/zinc/64/27/42/545642742.db2.gz BLJNMAJHSIHHOV-LLVKDONJSA-N 0 0 317.345 0.813 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCCOCC2)[C@H]1c1cccnc1 ZINC000074535470 545669611 /nfs/dbraw/zinc/66/96/11/545669611.db2.gz BVOZNWKJAMPYNH-DZGCQCFKSA-N 0 0 303.362 0.850 10 0 DCAERN CC(=O)c1ccc(C(=O)N(C)CCN2CCCS2(=O)=O)cc1 ZINC000074445498 545669780 /nfs/dbraw/zinc/66/97/80/545669780.db2.gz YBOFILVDVDJEIA-UHFFFAOYSA-N 0 0 324.402 0.997 10 0 DCAERN O=C(NCCN1CCOCC1)c1cccc2c1NC(=O)CO2 ZINC000074731045 545670721 /nfs/dbraw/zinc/67/07/21/545670721.db2.gz NFMMAFGYXGEDBV-UHFFFAOYSA-N 0 0 305.334 0.080 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3c(C)cccn3c2=O)C1 ZINC000091067930 545718825 /nfs/dbraw/zinc/71/88/25/545718825.db2.gz SLDJHMFLPKFATA-UHFFFAOYSA-N 0 0 314.345 0.211 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NC[C@@H]3CN(C)CCO3)s2)cn1 ZINC000112195851 545735007 /nfs/dbraw/zinc/73/50/07/545735007.db2.gz AKGCKHFKZNYMQO-LLVKDONJSA-N 0 0 321.406 0.604 10 0 DCAERN NC(=O)C1(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000119730194 545740411 /nfs/dbraw/zinc/74/04/11/545740411.db2.gz ZRLPOJCQJPPWDO-SECBINFHSA-N 0 0 323.299 0.452 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)C1 ZINC000121443003 545748043 /nfs/dbraw/zinc/74/80/43/545748043.db2.gz CDRFAFWJGWBYGI-LBPRGKRZSA-N 0 0 318.373 0.841 10 0 DCAERN CC(C)C[C@H](C)OCCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000133112193 545796993 /nfs/dbraw/zinc/79/69/93/545796993.db2.gz AQCCOMMBGJVKDS-GJZGRUSLSA-N 0 0 316.442 0.637 10 0 DCAERN Cc1c(C(=O)N2CCN(C3CC3)CC2)cccc1S(N)(=O)=O ZINC000133360220 545798673 /nfs/dbraw/zinc/79/86/73/545798673.db2.gz JYTFVLSBUCXLEN-UHFFFAOYSA-N 0 0 323.418 0.563 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000153284262 545830442 /nfs/dbraw/zinc/83/04/42/545830442.db2.gz AKMOKLWAZPXVGR-UHFFFAOYSA-N 0 0 318.381 0.898 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@H]1COCCN1 ZINC000155452938 545845300 /nfs/dbraw/zinc/84/53/00/545845300.db2.gz OGHVOAHMPNRFHA-GFCCVEGCSA-N 0 0 313.304 0.350 10 0 DCAERN Cn1cc(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cn1 ZINC000156496331 545847998 /nfs/dbraw/zinc/84/79/98/545847998.db2.gz QGWMFIKDQHGJKP-AWEZNQCLSA-N 0 0 320.393 0.664 10 0 DCAERN CN(C(=O)NC[C@@H]1CN(C)CCO1)[C@H]1CCCc2c1cnn2C ZINC000158465208 545855528 /nfs/dbraw/zinc/85/55/28/545855528.db2.gz ULZUABBPGIJWTD-OCCSQVGLSA-N 0 0 321.425 0.770 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccnc1 ZINC000173939984 545884300 /nfs/dbraw/zinc/88/43/00/545884300.db2.gz HBQSEXROGVBFNH-WCQYABFASA-N 0 0 311.407 0.725 10 0 DCAERN CNC(=O)c1ccccc1OCC(=O)N(C)Cc1cnn(C)c1 ZINC000177553375 545891212 /nfs/dbraw/zinc/89/12/12/545891212.db2.gz HOKGBRYSGVUACQ-UHFFFAOYSA-N 0 0 316.361 0.817 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000177480400 545891321 /nfs/dbraw/zinc/89/13/21/545891321.db2.gz BSGPEVMQOCMFGR-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN CNC(=O)[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)C(C)C ZINC000183680939 545909240 /nfs/dbraw/zinc/90/92/40/545909240.db2.gz JCONGQTYUJYOGI-OAHLLOKOSA-N 0 0 318.377 0.332 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCCNC(=O)[C@H]1C)C2 ZINC000188950217 545919288 /nfs/dbraw/zinc/91/92/88/545919288.db2.gz XZPLZKPYPCMDCJ-DGCLKSJQSA-N 0 0 318.373 0.983 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)O1 ZINC000189645453 545921426 /nfs/dbraw/zinc/92/14/26/545921426.db2.gz CITAIMDVBYSWTK-VXGBXAGGSA-N 0 0 318.439 0.874 10 0 DCAERN CCOc1ccccc1CCNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193121285 545929666 /nfs/dbraw/zinc/92/96/66/545929666.db2.gz RQAUHVPGKVUYEZ-HUUCEWRRSA-N 0 0 320.389 0.726 10 0 DCAERN C[C@@H]1CC[C@H](CCC(=O)NC[C@@H](O)CN2CCOCC2)O1 ZINC000245631561 545962286 /nfs/dbraw/zinc/96/22/86/545962286.db2.gz QEGAMNILBPMPBQ-MGPQQGTHSA-N 0 0 300.399 0.143 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248449347 545968758 /nfs/dbraw/zinc/96/87/58/545968758.db2.gz IFCCLBZYKCPYJR-YNEHKIRRSA-N 0 0 305.382 0.925 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC[C@H]1C ZINC000249126466 545970636 /nfs/dbraw/zinc/97/06/36/545970636.db2.gz CJPPCNGFLNWRRV-JHJVBQTASA-N 0 0 318.439 0.684 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000252874820 545975552 /nfs/dbraw/zinc/97/55/52/545975552.db2.gz QCUVQDFLWHWFDL-IJLUTSLNSA-N 0 0 304.412 0.220 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000328989319 546041749 /nfs/dbraw/zinc/04/17/49/546041749.db2.gz CQNJJGNOTWXPPT-LOWDOPEQSA-N 0 0 308.382 0.919 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3ccc(Cl)cn3)C[C@@H]21 ZINC000332810495 546061501 /nfs/dbraw/zinc/06/15/01/546061501.db2.gz ONLDQRASHQSJSY-STQMWFEESA-N 0 0 310.785 0.959 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1=O ZINC000332843003 546063324 /nfs/dbraw/zinc/06/33/24/546063324.db2.gz DCOJBWYCIOYAQD-CZYNCPRBSA-N 0 0 308.378 0.163 10 0 DCAERN C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCOC1)N1CCOCC1 ZINC000332987236 546068605 /nfs/dbraw/zinc/06/86/05/546068605.db2.gz BAWZBXLYLKTXCZ-NWDGAFQWSA-N 0 0 308.382 0.364 10 0 DCAERN COCC(=O)N1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000333431797 546081370 /nfs/dbraw/zinc/08/13/70/546081370.db2.gz HSQLZDGAWSWUIU-UHFFFAOYSA-N 0 0 317.389 0.891 10 0 DCAERN O[C@@H](CNc1ncnc2c1CCCCC2)CN1CCOCC1 ZINC000333489668 546083419 /nfs/dbraw/zinc/08/34/19/546083419.db2.gz URXDRVQXDUEFBV-ZDUSSCGKSA-N 0 0 306.410 0.851 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000333574179 546085571 /nfs/dbraw/zinc/08/55/71/546085571.db2.gz YQRQPXHXKFMMPO-HNWQQQBSSA-N 0 0 306.406 0.863 10 0 DCAERN Cc1cc(NC[C@@H](C)S(N)(=O)=O)ncc1Br ZINC000381041060 546215490 /nfs/dbraw/zinc/21/54/90/546215490.db2.gz CGINZVLEXHPXGD-SSDOTTSWSA-N 0 0 308.201 0.663 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1NC1COCCOC1 ZINC000380567899 546216082 /nfs/dbraw/zinc/21/60/82/546216082.db2.gz BAORUGFLBUKOOX-UHFFFAOYSA-N 0 0 300.380 0.764 10 0 DCAERN Cc1nc(NC[C@H]2CCCC[C@H]2O)sc1S(N)(=O)=O ZINC000388663665 546218932 /nfs/dbraw/zinc/21/89/32/546218932.db2.gz PCXRXSKHLBPJKN-RKDXNWHRSA-N 0 0 305.425 0.484 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(N)cc1F ZINC000392843845 546219639 /nfs/dbraw/zinc/21/96/39/546219639.db2.gz AKYAWBSXUURHQS-OIBJUYFYSA-N 0 0 301.343 0.353 10 0 DCAERN Nc1ccc(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)c(F)c1 ZINC000396736456 546223234 /nfs/dbraw/zinc/22/32/34/546223234.db2.gz KFFCOVNYNQKUJO-VIFPVBQESA-N 0 0 301.343 0.355 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cnc(C)s2)C1 ZINC000401857059 546226006 /nfs/dbraw/zinc/22/60/06/546226006.db2.gz GMUDQPFGNMVVMG-NSHDSACASA-N 0 0 306.409 0.614 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405277480 546228254 /nfs/dbraw/zinc/22/82/54/546228254.db2.gz SNKOFIIGUCSWNV-WDEREUQCSA-N 0 0 300.355 0.265 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1c1cn[nH]n1 ZINC000622168602 546323816 /nfs/dbraw/zinc/32/38/16/546323816.db2.gz HKUAEKSBTUGYIO-WCQYABFASA-N 0 0 316.365 0.670 10 0 DCAERN O=C(N1CC[C@@](O)(Cn2ccnn2)C1)C1(c2ccccc2)CC1 ZINC000671605253 547265810 /nfs/dbraw/zinc/26/58/10/547265810.db2.gz WYGNVBTZQPZFJW-INIZCTEOSA-N 0 0 312.373 0.973 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)c(F)c1 ZINC000681821406 548299681 /nfs/dbraw/zinc/29/96/81/548299681.db2.gz QRPGJPAYGDTBNW-SNVBAGLBSA-N 0 0 300.355 0.891 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000248708643 660630778 /nfs/dbraw/zinc/63/07/78/660630778.db2.gz IBWCNBWGCNFLRO-SDDRHHMPSA-N 0 0 304.412 0.294 10 0 DCAERN CCCn1cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cn1 ZINC000722363225 661032014 /nfs/dbraw/zinc/03/20/14/661032014.db2.gz JIPXHHWEOMEESV-SNVBAGLBSA-N 0 0 300.384 0.008 10 0 DCAERN C[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1 ZINC000054001259 661037691 /nfs/dbraw/zinc/03/76/91/661037691.db2.gz PZOXLNDTNOJENG-VIFPVBQESA-N 0 0 320.315 0.889 10 0 DCAERN Cc1cc(CC(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)no1 ZINC000888093505 661158362 /nfs/dbraw/zinc/15/83/62/661158362.db2.gz AQDUNLXOXLAEPP-QWHCGFSZSA-N 0 0 306.322 0.222 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc(C3CC3)[nH]2)cn1 ZINC000888093608 661158848 /nfs/dbraw/zinc/15/88/48/661158848.db2.gz KILGMVLXGKZYSX-QWHCGFSZSA-N 0 0 317.349 0.597 10 0 DCAERN CCc1[nH]ccc1C(=O)NCc1nc([C@H]2COCCN2C)n[nH]1 ZINC000888094842 661162985 /nfs/dbraw/zinc/16/29/85/661162985.db2.gz DWWZWQLDGMDSHA-GFCCVEGCSA-N 0 0 318.381 0.628 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cc[nH]c2)n(C)c1=O ZINC000888094968 661164064 /nfs/dbraw/zinc/16/40/64/661164064.db2.gz NUDRNRHOTPEUGB-DGCLKSJQSA-N 0 0 317.393 0.978 10 0 DCAERN CCc1nocc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888100819 661179327 /nfs/dbraw/zinc/17/93/27/661179327.db2.gz XFCHYFDGZHXZIU-QWHCGFSZSA-N 0 0 306.322 0.547 10 0 DCAERN CC(C)CO[C@H]1C[C@@H](OC(=O)Cn2ncn(C)c2=O)C1(C)C ZINC000180368684 665436622 /nfs/dbraw/zinc/43/66/22/665436622.db2.gz STKVLRRYWBWVLD-NWDGAFQWSA-N 0 0 311.382 0.965 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000126123818 657554851 /nfs/dbraw/zinc/55/48/51/657554851.db2.gz SKBMYDKBYSCJFK-LLVKDONJSA-N 0 0 311.338 0.805 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000073395217 657665329 /nfs/dbraw/zinc/66/53/29/657665329.db2.gz GYANBJDDCJUXHK-UHFFFAOYSA-N 0 0 322.796 0.795 10 0 DCAERN CC(C)(CNS(=O)(=O)c1cccnc1F)CS(C)(=O)=O ZINC000723856724 657666295 /nfs/dbraw/zinc/66/62/95/657666295.db2.gz STERTSTWJDDBTD-UHFFFAOYSA-N 0 0 324.399 0.570 10 0 DCAERN CCOC[C@H](C)NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000088239610 657748918 /nfs/dbraw/zinc/74/89/18/657748918.db2.gz MGGVSJQJZIMAFL-QMMMGPOBSA-N 0 0 304.343 0.628 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CC(OC)(C(F)(F)F)C1 ZINC000724199742 658045184 /nfs/dbraw/zinc/04/51/84/658045184.db2.gz UXMSBXZDWNHZME-UHFFFAOYSA-N 0 0 319.301 0.533 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@H](CCO)C2CCCC2)cn1C ZINC000725041616 658079606 /nfs/dbraw/zinc/07/96/06/658079606.db2.gz JAFYHGWQXZBLEN-GFCCVEGCSA-N 0 0 301.412 0.948 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccc(F)cc1 ZINC000725062785 658096671 /nfs/dbraw/zinc/09/66/71/658096671.db2.gz ZLIRREXERKJQHZ-LBPRGKRZSA-N 0 0 300.355 0.219 10 0 DCAERN Cc1nc2c([nH]1)C[C@@H](C(=O)NCCCN1CCCC1=O)CC2 ZINC000220587889 658271386 /nfs/dbraw/zinc/27/13/86/658271386.db2.gz YJSZZCKSQMDPBW-LBPRGKRZSA-N 0 0 304.394 0.952 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724438461 658275931 /nfs/dbraw/zinc/27/59/31/658275931.db2.gz OURBHKSNUOOPHN-VHSXEESVSA-N 0 0 302.396 0.874 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724438458 658276824 /nfs/dbraw/zinc/27/68/24/658276824.db2.gz OURBHKSNUOOPHN-NXEZZACHSA-N 0 0 302.396 0.874 10 0 DCAERN CCc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n[nH]1 ZINC000120687279 658339270 /nfs/dbraw/zinc/33/92/70/658339270.db2.gz XQRXJIWDWSRKEQ-UHFFFAOYSA-N 0 0 321.362 0.408 10 0 DCAERN CO[C@H]1CN(Cn2nnn(-c3ccccc3)c2=O)CC[C@H]1C ZINC000190188933 658417781 /nfs/dbraw/zinc/41/77/81/658417781.db2.gz JHBBXVPDHKXSSM-OCCSQVGLSA-N 0 0 303.366 0.743 10 0 DCAERN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000260935668 658428041 /nfs/dbraw/zinc/42/80/41/658428041.db2.gz XZXGTVFKYCBEDP-VIFPVBQESA-N 0 0 307.368 0.584 10 0 DCAERN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccnc1Cl ZINC000724545600 658433661 /nfs/dbraw/zinc/43/36/61/658433661.db2.gz DLVSAVUDZKTBNQ-BBBLOLIVSA-N 0 0 318.782 0.817 10 0 DCAERN CCNC(=O)CNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555856 658483276 /nfs/dbraw/zinc/48/32/76/658483276.db2.gz UGPPXZSUWAPRGJ-UHFFFAOYSA-N 0 0 316.770 0.402 10 0 DCAERN Nc1nonc1C(=O)NCCNC(=O)/C=C\c1ccccc1 ZINC000096545150 658620145 /nfs/dbraw/zinc/62/01/45/658620145.db2.gz PGGDCNMMYKTKMG-SREVYHEPSA-N 0 0 301.306 0.211 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000723351833 658641904 /nfs/dbraw/zinc/64/19/04/658641904.db2.gz IXOYYXXPUNQOLR-JTQLQIEISA-N 0 0 300.355 0.972 10 0 DCAERN Cn1ncc(Br)c1CNC(=O)c1ncoc1CN ZINC000721421730 658656659 /nfs/dbraw/zinc/65/66/59/658656659.db2.gz RASBFAXELXYDAA-UHFFFAOYSA-N 0 0 314.143 0.559 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCc2c(C)nn(C)c2C)C1=O ZINC000888076589 658713530 /nfs/dbraw/zinc/71/35/30/658713530.db2.gz WWQMRNAPYXTRLV-AWEZNQCLSA-N 0 0 322.409 0.681 10 0 DCAERN CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C2)C1(C)C ZINC000888078744 658724459 /nfs/dbraw/zinc/72/44/59/658724459.db2.gz SUOOFQNSBGVABW-BHPKHCPMSA-N 0 0 324.421 0.813 10 0 DCAERN COC(=O)c1nc(C(=O)N[C@@H](C)CC[S@](C)=O)cs1 ZINC000721434674 658739366 /nfs/dbraw/zinc/73/93/66/658739366.db2.gz MFFQSMHHXFWNTA-IIYDVTGLSA-N 0 0 304.393 0.817 10 0 DCAERN COC[C@H](CCNC(=O)c1csc(C(=O)OC)n1)OC ZINC000721435244 658785774 /nfs/dbraw/zinc/78/57/74/658785774.db2.gz IPGRGQHJJDPPHV-QMMMGPOBSA-N 0 0 302.352 0.711 10 0 DCAERN CCNC(=O)CN(CC)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255081020 658873929 /nfs/dbraw/zinc/87/39/29/658873929.db2.gz NTNVQJJJUOWNFR-GFCCVEGCSA-N 0 0 321.425 0.673 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCCS1(=O)=O)c1ccccc1 ZINC000069712126 665658352 /nfs/dbraw/zinc/65/83/52/665658352.db2.gz NGKPGPQSOSGMLP-CYBMUJFWSA-N 0 0 310.375 0.816 10 0 DCAERN CC[C@H]1CN(CN2C[C@H](OC)CC2=O)CCN1CC(F)F ZINC000189185476 659357414 /nfs/dbraw/zinc/35/74/14/659357414.db2.gz WGJWDQSHXZYVSK-NWDGAFQWSA-N 0 0 305.369 0.853 10 0 DCAERN COc1cc(N2CCN(C(=O)C[C@@H]3CCCOC3)CC2)ncn1 ZINC000193822906 659462712 /nfs/dbraw/zinc/46/27/12/659462712.db2.gz NVRJSFOKIYNWRU-ZDUSSCGKSA-N 0 0 320.393 0.951 10 0 DCAERN C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)CCO1 ZINC000194140663 659481494 /nfs/dbraw/zinc/48/14/94/659481494.db2.gz KGCZJXRVAVIVGR-SNVBAGLBSA-N 0 0 302.325 0.551 10 0 DCAERN O=C(OCCNc1ncccn1)[C@H]1COCCN1CC(F)F ZINC000194921739 659522711 /nfs/dbraw/zinc/52/27/11/659522711.db2.gz IJLQRVWKPQMFMN-SNVBAGLBSA-N 0 0 316.308 0.398 10 0 DCAERN CCNC(=O)C1CN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)C1 ZINC000195298460 659541991 /nfs/dbraw/zinc/54/19/91/659541991.db2.gz XVRYUAYZZZCJSX-JTQLQIEISA-N 0 0 318.381 0.157 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)C2(O)CCOCC2)C12CCOCC2 ZINC000332952900 659767811 /nfs/dbraw/zinc/76/78/11/659767811.db2.gz SLXOZKHOZUGLSE-STQMWFEESA-N 0 0 313.394 0.618 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000333007689 659772312 /nfs/dbraw/zinc/77/23/12/659772312.db2.gz AJPSCECVNNQAMP-WOPDTQHZSA-N 0 0 320.397 0.912 10 0 DCAERN CC[C@@H]1CN(CN2CC(=O)N(C)C2=O)CCN1CC(F)F ZINC000182294594 665775829 /nfs/dbraw/zinc/77/58/29/665775829.db2.gz GZTFYRWOOXZZMG-SNVBAGLBSA-N 0 0 304.341 0.499 10 0 DCAERN COCCNC(=O)CCNC(=O)c1cncc2cccnc21 ZINC000222616329 661622471 /nfs/dbraw/zinc/62/24/71/661622471.db2.gz CBCZWZPNFFFZCO-UHFFFAOYSA-N 0 0 302.334 0.512 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000338935267 661807978 /nfs/dbraw/zinc/80/79/78/661807978.db2.gz WQCDPZLYFHPLGZ-SNVBAGLBSA-N 0 0 307.366 0.317 10 0 DCAERN CCN(C(=S)NC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000048227090 661821040 /nfs/dbraw/zinc/82/10/40/661821040.db2.gz YHJQSHCRCWAHRV-MNOVXSKESA-N 0 0 306.453 0.549 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@]1(O)CCc2ccccc21 ZINC000182487601 665831071 /nfs/dbraw/zinc/83/10/71/665831071.db2.gz XJKHVEAQEODDMI-MRXNPFEDSA-N 0 0 315.377 0.801 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cccn2nnnc12 ZINC000896844186 662327729 /nfs/dbraw/zinc/32/77/29/662327729.db2.gz LKEYSJKMQFJMDH-GFCCVEGCSA-N 0 0 311.349 0.934 10 0 DCAERN Cc1nnc(COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1C ZINC000121356758 662436387 /nfs/dbraw/zinc/43/63/87/662436387.db2.gz CAWQTXLWOJGXKX-MRVPVSSYSA-N 0 0 320.271 0.578 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCn2ccnc2C1 ZINC000310771162 662516860 /nfs/dbraw/zinc/51/68/60/662516860.db2.gz PFMBDJZKZCRKRN-UHFFFAOYSA-N 0 0 311.143 0.430 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCN(c2ccccn2)CC1 ZINC000170241273 662654608 /nfs/dbraw/zinc/65/46/08/662654608.db2.gz WERZASJEFKYKON-LBPRGKRZSA-N 0 0 312.377 0.653 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N(C)C ZINC000729699390 662907437 /nfs/dbraw/zinc/90/74/37/662907437.db2.gz GZLHMWKGLKHELY-CYBMUJFWSA-N 0 0 317.349 0.932 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCCCNC1=O ZINC000729851742 662911109 /nfs/dbraw/zinc/91/11/09/662911109.db2.gz KLAGENYZGCYUNF-GFCCVEGCSA-N 0 0 319.361 0.954 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@H](CO)COC(C)C ZINC000432625996 662915756 /nfs/dbraw/zinc/91/57/56/662915756.db2.gz DZUSRXVPQWZPAA-NEPJUHHUSA-N 0 0 304.412 0.152 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC000898861212 663110715 /nfs/dbraw/zinc/11/07/15/663110715.db2.gz VVMNYLZZKSTODI-WZRBSPASSA-N 0 0 308.382 0.986 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1C1CC1 ZINC000909167064 663785234 /nfs/dbraw/zinc/78/52/34/663785234.db2.gz DXCBYCHQFFFZAR-LERXQTSPSA-N 0 0 301.350 0.598 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cnn2c1CCCC2 ZINC000909167666 663785243 /nfs/dbraw/zinc/78/52/43/663785243.db2.gz OACVHEBCRYSKSW-KWCYVHTRSA-N 0 0 301.350 0.520 10 0 DCAERN CC(C)CCn1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)nn1 ZINC000909172921 663785762 /nfs/dbraw/zinc/78/57/62/663785762.db2.gz WYFBMTJMKJECIF-KWCYVHTRSA-N 0 0 318.381 0.625 10 0 DCAERN O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909194367 663786451 /nfs/dbraw/zinc/78/64/51/663786451.db2.gz BJBSRJSKJHHTRY-IVMMDQJWSA-N 0 0 315.377 0.449 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CC[C@@H](n3ccnn3)C2)c1 ZINC000911828970 664113140 /nfs/dbraw/zinc/11/31/40/664113140.db2.gz CODNLZFDDXGRDK-OCCSQVGLSA-N 0 0 302.334 0.794 10 0 DCAERN C[C@H]1CN(C)C[C@H](C(=O)Nc2cncnc2-n2cccn2)O1 ZINC000911971497 664128690 /nfs/dbraw/zinc/12/86/90/664128690.db2.gz YAQKFOOEXFARQH-CMPLNLGQSA-N 0 0 302.338 0.320 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1cc2n(n1)CCCC2 ZINC000912030963 664133150 /nfs/dbraw/zinc/13/31/50/664133150.db2.gz JTJQQDRITLNUTD-AWEZNQCLSA-N 0 0 320.393 0.209 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@@H]1CO ZINC000912423156 664174309 /nfs/dbraw/zinc/17/43/09/664174309.db2.gz UDZYKYHBKXQKJC-KBPBESRZSA-N 0 0 322.336 0.398 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)Cc1ccn(C)n1 ZINC000913084369 664266842 /nfs/dbraw/zinc/26/68/42/664266842.db2.gz AIYIUDMXUGPAMA-CZUORRHYSA-N 0 0 317.393 0.959 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)OCCN1CCCCC1=O ZINC000151472056 664344917 /nfs/dbraw/zinc/34/49/17/664344917.db2.gz LEEXKFHATJYORQ-UHFFFAOYSA-N 0 0 309.366 0.971 10 0 DCAERN S=C(NCCCN1CCOCC1)NCC[C@H]1CCCO1 ZINC000055353237 664370039 /nfs/dbraw/zinc/37/00/39/664370039.db2.gz FBYDNVSNCDHDAJ-CYBMUJFWSA-N 0 0 301.456 0.742 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cn3nc4ccccn4c3=O)[C@@H]2C1 ZINC000165226092 664406014 /nfs/dbraw/zinc/40/60/14/664406014.db2.gz OLUKEZNODYPQEJ-MGPQQGTHSA-N 0 0 318.377 0.722 10 0 DCAERN CSc1ncc(C=CC(=O)NCc2cc(=O)[nH]c(C)n2)cn1 ZINC000056705266 664410169 /nfs/dbraw/zinc/41/01/69/664410169.db2.gz YPBYEDXQJNJVQU-ARJAWSKDSA-N 0 0 317.374 0.920 10 0 DCAERN C[C@@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O ZINC000223981733 664428287 /nfs/dbraw/zinc/42/82/87/664428287.db2.gz XNGUKHRYEFIXRZ-JTQLQIEISA-N 0 0 306.370 0.363 10 0 DCAERN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@@H](CO)C1 ZINC000167431921 664497021 /nfs/dbraw/zinc/49/70/21/664497021.db2.gz QYYBDPXIRNLPBQ-SNVBAGLBSA-N 0 0 313.737 0.945 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000172753697 664624881 /nfs/dbraw/zinc/62/48/81/664624881.db2.gz VGELXTVJSPSGMT-GHMZBOCLSA-N 0 0 304.350 0.842 10 0 DCAERN COC(=O)CC(C)(C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000172861151 664625167 /nfs/dbraw/zinc/62/51/67/664625167.db2.gz GGWOOENGNOHPLM-UHFFFAOYSA-N 0 0 305.334 0.788 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCc1ccc(C(N)=O)cc1 ZINC000730305248 664681223 /nfs/dbraw/zinc/68/12/23/664681223.db2.gz KMRHZEWCFZCAOZ-GFCCVEGCSA-N 0 0 308.359 0.750 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CN3C[C@H](C)CC3=O)CC2)n1 ZINC000152631977 664767061 /nfs/dbraw/zinc/76/70/61/664767061.db2.gz KOGUOVMXADLJOW-NEPJUHHUSA-N 0 0 307.398 0.883 10 0 DCAERN CN(C1CCN(C(=O)C2=COCCC2)CC1)S(C)(=O)=O ZINC000730773176 664806047 /nfs/dbraw/zinc/80/60/47/664806047.db2.gz CISHITXZIDJHIR-UHFFFAOYSA-N 0 0 302.396 0.563 10 0 DCAERN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CNC(=O)N2)cc1 ZINC000732359752 664918252 /nfs/dbraw/zinc/91/82/52/664918252.db2.gz BJQGVAOQSVCSMA-BXKDBHETSA-N 0 0 319.317 0.441 10 0 DCAERN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CNC(=O)N2)c1 ZINC000732362324 664921939 /nfs/dbraw/zinc/92/19/39/664921939.db2.gz PKHLZSGSBAXEHR-LLVKDONJSA-N 0 0 305.290 0.052 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CNC(=O)N2)c1C ZINC000732364583 664922575 /nfs/dbraw/zinc/92/25/75/664922575.db2.gz URYPRNVEVSESCR-VHSXEESVSA-N 0 0 321.333 0.630 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@H](Cn3ccnn3)C2)nn1 ZINC000154910926 665199173 /nfs/dbraw/zinc/19/91/73/665199173.db2.gz VRFFHIHOVSLXIU-NSHDSACASA-N 0 0 305.342 0.026 10 0 DCAERN CNc1ncc(C(=O)N2CCO[C@H](Cn3cccn3)C2)s1 ZINC000155182102 665258098 /nfs/dbraw/zinc/25/80/98/665258098.db2.gz NZSVCPJMWMRLQT-JTQLQIEISA-N 0 0 307.379 0.923 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)c1ccccc1F ZINC000175542843 665328694 /nfs/dbraw/zinc/32/86/94/665328694.db2.gz LUVCLMIYMBXBOZ-STQMWFEESA-N 0 0 312.366 0.897 10 0 DCAERN Cn1nc(Br)c2c1ncn(CC(=O)C1CC1)c2=O ZINC000068052936 665393075 /nfs/dbraw/zinc/39/30/75/665393075.db2.gz QRNOVAQBABXHSB-UHFFFAOYSA-N 0 0 311.139 0.872 10 0 DCAERN O=C(NCCNC(=O)C1(O)CCSCC1)c1ccccc1 ZINC000179668286 665393437 /nfs/dbraw/zinc/39/34/37/665393437.db2.gz QXXXZTAZGIBHRT-UHFFFAOYSA-N 0 0 308.403 0.791 10 0 DCAERN CC1([C@H]2CCCN(C(=O)NCCCn3ccnn3)C2)OCCO1 ZINC000183569670 666069589 /nfs/dbraw/zinc/06/95/89/666069589.db2.gz UHEYJDBEXYYEJP-ZDUSSCGKSA-N 0 0 323.397 0.853 10 0 DCAERN Cn1nnc2ccc(C(=O)NN=c3cc(Cl)nc(N)[nH]3)cc21 ZINC000186562922 666504131 /nfs/dbraw/zinc/50/41/31/666504131.db2.gz YAVAPRUPXOSOOV-UHFFFAOYSA-N 0 0 318.728 0.751 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCO[C@H](CCF)C1 ZINC000700582981 666735079 /nfs/dbraw/zinc/73/50/79/666735079.db2.gz SIKCQCIBGKXFOY-SSDOTTSWSA-N 0 0 321.150 0.778 10 0 DCAERN CC[S@](=O)CCNC(=O)CN(C)C(=O)c1cccs1 ZINC000733881188 666823352 /nfs/dbraw/zinc/82/33/52/666823352.db2.gz CJLCEFNEWCYWLS-IBGZPJMESA-N 0 0 302.421 0.705 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCn1nnc2ccccc2c1=O ZINC000733879872 666823588 /nfs/dbraw/zinc/82/35/88/666823588.db2.gz RPBDPDJLKVIFJV-JOCHJYFZSA-N 0 0 322.390 0.066 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CCCCN1C(=O)C(C)C ZINC000733880720 666823749 /nfs/dbraw/zinc/82/37/49/666823749.db2.gz UXANUCLBQZWIQR-ODXCJYRJSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000733899418 666824403 /nfs/dbraw/zinc/82/44/03/666824403.db2.gz IKRYHBJYKSSEBR-IBGZPJMESA-N 0 0 318.420 0.141 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000733899483 666824453 /nfs/dbraw/zinc/82/44/53/666824453.db2.gz IKRYHBJYKSSEBR-LJQANCHMSA-N 0 0 318.420 0.141 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cc(OC)ccc1OC ZINC000733900157 666824796 /nfs/dbraw/zinc/82/47/96/666824796.db2.gz VCKKPTGFRBTYAI-IBGZPJMESA-N 0 0 321.420 0.751 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)NCC[S@@](=O)CC ZINC000733960788 666832395 /nfs/dbraw/zinc/83/23/95/666832395.db2.gz NSMAVKGDGUERET-NRFANRHFSA-N 0 0 306.387 0.998 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000733962759 666832566 /nfs/dbraw/zinc/83/25/66/666832566.db2.gz NHFQVJWBALPKSL-OYHNWAKOSA-N 0 0 322.430 0.845 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2ccc(Br)nn2)C1 ZINC000701756255 666873142 /nfs/dbraw/zinc/87/31/42/666873142.db2.gz IGJVNAZSMYAXAL-SNVBAGLBSA-N 0 0 301.144 0.056 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000702362555 666945677 /nfs/dbraw/zinc/94/56/77/666945677.db2.gz DWOFUSFZWOFOOU-PBHICJAKSA-N 0 0 319.405 0.769 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000735079811 666947185 /nfs/dbraw/zinc/94/71/85/666947185.db2.gz GOJRFRRVDDYWLN-SFHVURJKSA-N 0 0 301.393 0.610 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000735108250 666947337 /nfs/dbraw/zinc/94/73/37/666947337.db2.gz PMTYCTYKBQDNOO-WHEQGISXSA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000735091023 666949611 /nfs/dbraw/zinc/94/96/11/666949611.db2.gz HKAVVDVWUCSHKM-JOCHJYFZSA-N 0 0 321.406 0.835 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NCC[S@](=O)CC ZINC000735098575 666951772 /nfs/dbraw/zinc/95/17/72/666951772.db2.gz WHIWWTMBEZOODC-HXUWFJFHSA-N 0 0 305.444 0.703 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccc(C(=O)OC)o1 ZINC000735102679 666952890 /nfs/dbraw/zinc/95/28/90/666952890.db2.gz GHCDEENVTASZOF-HXUWFJFHSA-N 0 0 302.352 0.634 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000735116310 666955913 /nfs/dbraw/zinc/95/59/13/666955913.db2.gz HHOVBSGVHPMFEH-OAQYLSRUSA-N 0 0 318.345 0.579 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)NCC[S@](=O)CC ZINC000735199195 666965946 /nfs/dbraw/zinc/96/59/46/666965946.db2.gz LKMUZTYHFWXVAZ-OAQYLSRUSA-N 0 0 313.379 0.304 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(SC)nc1 ZINC000735200444 666968543 /nfs/dbraw/zinc/96/85/43/666968543.db2.gz RDYNAUYWTUPSJW-FQEVSTJZSA-N 0 0 315.420 0.627 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnc[nH]2)C1 ZINC000702818296 666999958 /nfs/dbraw/zinc/99/99/58/666999958.db2.gz VSZZSTKOFMUZSY-GXSJLCMTSA-N 0 0 310.354 0.367 10 0 DCAERN Cc1c[nH]nc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702834269 667001267 /nfs/dbraw/zinc/00/12/67/667001267.db2.gz WUJPCDGXFSFUJA-QWRGUYRKSA-N 0 0 324.381 0.676 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000703309931 667080582 /nfs/dbraw/zinc/08/05/82/667080582.db2.gz JRDZXWMJOGBZSR-GHMZBOCLSA-N 0 0 320.411 0.704 10 0 DCAERN CN(C(=O)c1cnn(C)c1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703485356 667092352 /nfs/dbraw/zinc/09/23/52/667092352.db2.gz HAEBSOXNRICPOR-KNVOCYPGSA-N 0 0 315.171 0.519 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1nc(Br)cs1 ZINC000120183947 667275189 /nfs/dbraw/zinc/27/51/89/667275189.db2.gz XKAJHENPRNQNTO-BYPYZUCNSA-N 0 0 318.152 0.441 10 0 DCAERN CN(C)c1nc([C@H]2CCN(C(=O)c3ncc[nH]3)C2)cc(=O)[nH]1 ZINC000864834615 667287308 /nfs/dbraw/zinc/28/73/08/667287308.db2.gz AWMCLBJVZDUSEL-VIFPVBQESA-N 0 0 302.338 0.601 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@]1(O)CCCC1(C)C ZINC000355816947 667323083 /nfs/dbraw/zinc/32/30/83/667323083.db2.gz UWRJDKBBBOJOAH-FZMZJTMJSA-N 0 0 300.424 0.965 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCOC[C@H]1O ZINC000707056565 667430937 /nfs/dbraw/zinc/43/09/37/667430937.db2.gz OAYCAROHZNWRCI-DTWKUNHWSA-N 0 0 306.771 0.472 10 0 DCAERN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)C1CCC(=O)CC1 ZINC000708176538 667442134 /nfs/dbraw/zinc/44/21/34/667442134.db2.gz BLSRLXUMLHROMR-LBPRGKRZSA-N 0 0 304.412 0.578 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(CCS(C)(=O)=O)CC1 ZINC000134214019 667523048 /nfs/dbraw/zinc/52/30/48/667523048.db2.gz YMQGXTCMEBOCMX-LBPRGKRZSA-N 0 0 304.456 0.904 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(O)cc(Br)c1 ZINC000717298736 667542665 /nfs/dbraw/zinc/54/26/65/667542665.db2.gz MYQGGKYNYQFBDI-QUBYGPBYSA-N 0 0 304.140 0.626 10 0 DCAERN CCN1C(=O)CN(CN2CCC[C@H](Cc3noc(C)n3)C2)C1=O ZINC000122211108 667583766 /nfs/dbraw/zinc/58/37/66/667583766.db2.gz ZGQJIFYEMVIIHM-GFCCVEGCSA-N 0 0 321.381 0.874 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000886031213 667726180 /nfs/dbraw/zinc/72/61/80/667726180.db2.gz HZHQGCUJMOLPBE-XSLBHYSZSA-N 0 0 318.373 0.937 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(Cc3ncc(Cl)n3C)C[C@H]21 ZINC000886045031 667726881 /nfs/dbraw/zinc/72/68/81/667726881.db2.gz XDTIZOZGQUBADE-VXGBXAGGSA-N 0 0 312.801 0.895 10 0 DCAERN CCN1CCO[C@@H](CNC(=O)CC(C)(C)O)[C@@H]1c1ccnn1C ZINC000886068577 667728394 /nfs/dbraw/zinc/72/83/94/667728394.db2.gz RGOKZWAVJBNCES-ZFWWWQNUSA-N 0 0 324.425 0.459 10 0 DCAERN CCn1nc(C)c(CN2CCC[C@@](O)(Cc3nc(C)no3)C2)n1 ZINC000886091745 667730655 /nfs/dbraw/zinc/73/06/55/667730655.db2.gz PRKUQOJPCJYTLG-OAHLLOKOSA-N 0 0 320.397 0.867 10 0 DCAERN Cc1n[nH]cc1C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C ZINC000886097341 667732274 /nfs/dbraw/zinc/73/22/74/667732274.db2.gz VBAWMAFWAKIBCT-DGCLKSJQSA-N 0 0 316.365 0.544 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000741089173 667758696 /nfs/dbraw/zinc/75/86/96/667758696.db2.gz MMDQFUDEHFGZSS-IDFMNXDXSA-N 0 0 317.455 0.701 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000741417687 667770315 /nfs/dbraw/zinc/77/03/15/667770315.db2.gz MDGDLIZKBCBJQP-YBTHPKLGSA-N 0 0 304.412 0.692 10 0 DCAERN CCOCCN1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000741420351 667770448 /nfs/dbraw/zinc/77/04/48/667770448.db2.gz IIYYYNLXIABZDQ-FQEVSTJZSA-N 0 0 305.444 0.119 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Oc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000741633481 667773710 /nfs/dbraw/zinc/77/37/10/667773710.db2.gz ZKDKKNAQCPCJIM-HZMBPMFUSA-N 0 0 320.345 0.856 10 0 DCAERN CN1CCC[C@H]1CNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000139189687 667812230 /nfs/dbraw/zinc/81/22/30/667812230.db2.gz SXDKQXRHNIPBFF-WDEREUQCSA-N 0 0 306.453 0.117 10 0 DCAERN CC[C@@H]1CCCCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000124930942 668168976 /nfs/dbraw/zinc/16/89/76/668168976.db2.gz HKVYVCXOBQJNJY-QWHCGFSZSA-N 0 0 302.440 0.944 10 0 DCAERN C[C@H](C(=O)N1CCN(CCO)[C@@H](C)C1)N1CCc2ccccc21 ZINC000187284144 668207543 /nfs/dbraw/zinc/20/75/43/668207543.db2.gz YGNMVYDQAGCIPR-LSDHHAIUSA-N 0 0 317.433 0.963 10 0 DCAERN COCCn1cnn(CN(C)CC(=O)NC(C)(C)C)c1=S ZINC000021995818 668559700 /nfs/dbraw/zinc/55/97/00/668559700.db2.gz UJZFDPBMHAUCHA-UHFFFAOYSA-N 0 0 315.443 0.864 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccccc1Cl ZINC000126438784 668582644 /nfs/dbraw/zinc/58/26/44/668582644.db2.gz LTFJIEVTWZTCIT-LLVKDONJSA-N 0 0 316.810 0.733 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccccc1Cl ZINC000126439008 668582981 /nfs/dbraw/zinc/58/29/81/668582981.db2.gz LTFJIEVTWZTCIT-NSHDSACASA-N 0 0 316.810 0.733 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCCc2ccccc21 ZINC000126464206 668599988 /nfs/dbraw/zinc/59/99/88/668599988.db2.gz DLNRHNRMQOMVQO-CYBMUJFWSA-N 0 0 308.403 0.743 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1cccc(F)c1 ZINC000126495952 668614271 /nfs/dbraw/zinc/61/42/71/668614271.db2.gz JQPVMCAEMGJMRU-ZDUSSCGKSA-N 0 0 314.382 0.261 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cccc(F)c1F ZINC000126625696 668634371 /nfs/dbraw/zinc/63/43/71/668634371.db2.gz QMXQEMOHHLCNMM-MRVPVSSYSA-N 0 0 304.318 0.680 10 0 DCAERN CC(=O)c1cccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126677485 668640019 /nfs/dbraw/zinc/64/00/19/668640019.db2.gz ZRGBLZYJZZCEDD-ZDUSSCGKSA-N 0 0 310.375 0.604 10 0 DCAERN CC1CCC(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126763842 668656392 /nfs/dbraw/zinc/65/63/92/668656392.db2.gz NCTATIQHNXEQCZ-WXRRBKDZSA-N 0 0 302.440 0.706 10 0 DCAERN COC[C@@H](O)CNc1ncc(I)cn1 ZINC000128002401 669110072 /nfs/dbraw/zinc/11/00/72/669110072.db2.gz UKCAFISLQYCMTL-ZETCQYMHSA-N 0 0 309.107 0.500 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@](C)(COC)C(F)(F)F ZINC000932333852 669350325 /nfs/dbraw/zinc/35/03/25/669350325.db2.gz BJOUZWJESHEQDX-KCJUWKMLSA-N 0 0 311.304 0.874 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000131479403 669670364 /nfs/dbraw/zinc/67/03/64/669670364.db2.gz YUBLSZASSGTULR-DGCLKSJQSA-N 0 0 314.432 0.993 10 0 DCAERN O[C@@]1(c2cn[nH]n2)CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000794017470 669767167 /nfs/dbraw/zinc/76/71/67/669767167.db2.gz WATVTNPQPZLAKK-HNNXBMFYSA-N 0 0 311.349 0.479 10 0 DCAERN O=C(CN1CCN(c2cccc(Cl)n2)CC1)N1CCOCC1 ZINC000043534713 669832097 /nfs/dbraw/zinc/83/20/97/669832097.db2.gz WUXOZYYSCWOYSF-UHFFFAOYSA-N 0 0 324.812 0.716 10 0 DCAERN C=CCNC(=O)c1ccccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000043804847 669833839 /nfs/dbraw/zinc/83/38/39/669833839.db2.gz ZRDNAHJZNFWNKQ-NSHDSACASA-N 0 0 316.317 0.139 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159012195 669931980 /nfs/dbraw/zinc/93/19/80/669931980.db2.gz KSKCRFJQAOFHKM-QWHCGFSZSA-N 0 0 305.334 0.896 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCCS3(=O)=O)CC2=O)cc1 ZINC000048740888 669942435 /nfs/dbraw/zinc/94/24/35/669942435.db2.gz HUAJUWHFKLDCCZ-LBPRGKRZSA-N 0 0 322.386 0.910 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188355663 670004230 /nfs/dbraw/zinc/00/42/30/670004230.db2.gz BXGDGUFAGREODH-GHMZBOCLSA-N 0 0 304.394 0.943 10 0 DCAERN Cn1nc(C(=O)Nc2cc(Cl)ccc2C(N)=O)ccc1=O ZINC000078453719 670036411 /nfs/dbraw/zinc/03/64/11/670036411.db2.gz LJOLZUHRUPLTEM-UHFFFAOYSA-N 0 0 306.709 0.785 10 0 DCAERN C[C@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnnn1C1CC1 ZINC000191674918 670088343 /nfs/dbraw/zinc/08/83/43/670088343.db2.gz HFPRXQXFFIAESI-QMMMGPOBSA-N 0 0 312.337 0.781 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C)nn1 ZINC000712702699 670150775 /nfs/dbraw/zinc/15/07/75/670150775.db2.gz QSMIJIIPOBFHEJ-SECBINFHSA-N 0 0 301.368 0.794 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000713278469 670155062 /nfs/dbraw/zinc/15/50/62/670155062.db2.gz WBDJRAZHIDNTDC-OCCSQVGLSA-N 0 0 306.362 0.819 10 0 DCAERN Cn1cc(CN2CCNC(=O)C2(C)C)c(Br)n1 ZINC000713862749 670171148 /nfs/dbraw/zinc/17/11/48/670171148.db2.gz ZKMCKOGNVUEIPF-UHFFFAOYSA-N 0 0 301.188 0.893 10 0 DCAERN Cn1cc(CN2C[C@H](O)C[C@@]2(C)CO)c(Br)n1 ZINC000714096330 670178098 /nfs/dbraw/zinc/17/80/98/670178098.db2.gz LBWISHYDSIUGBM-KOLCDFICSA-N 0 0 304.188 0.500 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cccc(Br)c2)C1 ZINC000714456051 670188599 /nfs/dbraw/zinc/18/85/99/670188599.db2.gz CKTOFBZKZMBCHM-UHFFFAOYSA-N 0 0 314.135 0.809 10 0 DCAERN COC(=O)C1(O)CN(c2ncc(Br)cc2C)C1 ZINC000714463057 670188901 /nfs/dbraw/zinc/18/89/01/670188901.db2.gz VGYVWIFTGVMHEI-UHFFFAOYSA-N 0 0 301.140 0.877 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CCCC2(C1)OCCO2 ZINC000714468862 670189364 /nfs/dbraw/zinc/18/93/64/670189364.db2.gz VDKKLAOJKBPHDF-UHFFFAOYSA-N 0 0 302.327 0.748 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Br)oc2C)C1 ZINC000714506470 670190611 /nfs/dbraw/zinc/19/06/11/670190611.db2.gz IQIBXMMCKPPEOH-UHFFFAOYSA-N 0 0 318.123 0.710 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC23OCCO3)C1 ZINC000715929665 670226248 /nfs/dbraw/zinc/22/62/48/670226248.db2.gz GRYOCCGDKXZNPB-VXGBXAGGSA-N 0 0 304.412 0.848 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCC12OCCO2 ZINC000715998083 670229617 /nfs/dbraw/zinc/22/96/17/670229617.db2.gz QUTDOMICDWXUKQ-ZYHUDNBSSA-N 0 0 308.334 0.810 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1cccc(C=O)c1 ZINC000080061776 670262929 /nfs/dbraw/zinc/26/29/29/670262929.db2.gz NSVCGYMLJCJBLO-WCQYABFASA-N 0 0 304.346 0.990 10 0 DCAERN Cn1nc(C(=O)[O-])cc1CNC1CN(C(=O)OC(C)(C)C)C1 ZINC000757179557 670357853 /nfs/dbraw/zinc/35/78/53/670357853.db2.gz JNQFRLVWIKZZIU-UHFFFAOYSA-N 0 0 310.354 0.827 10 0 DCAERN O=C1Nc2cc(I)c(Cl)cc2C1=O ZINC000757190613 670358411 /nfs/dbraw/zinc/35/84/11/670358411.db2.gz RGAZHQNHAZYKJL-UHFFFAOYSA-N 0 0 307.474 0.771 10 0 DCAERN C[C@H](NC(=O)NCCCN1CCCC1=O)c1nnnn1C1CC1 ZINC000190242244 670400147 /nfs/dbraw/zinc/40/01/47/670400147.db2.gz CBYQVUJZAFJAPF-JTQLQIEISA-N 0 0 321.385 0.381 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000190300996 670413042 /nfs/dbraw/zinc/41/30/42/670413042.db2.gz CSMJFPZXIKBFKM-ZYHUDNBSSA-N 0 0 320.397 0.832 10 0 DCAERN O=C(OCCc1cnccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000194256378 670417825 /nfs/dbraw/zinc/41/78/25/670417825.db2.gz OAIHGYSNDWYAMB-VIFPVBQESA-N 0 0 317.267 0.973 10 0 DCAERN C#CCOC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000077475682 670419382 /nfs/dbraw/zinc/41/93/82/670419382.db2.gz MWZYWTVLIWWWDM-HNNXBMFYSA-N 0 0 312.325 0.639 10 0 DCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCC(=O)C1CC1 ZINC000109373924 670918584 /nfs/dbraw/zinc/91/85/84/670918584.db2.gz ALRWVGYJGOSKNZ-UHFFFAOYSA-N 0 0 317.345 0.943 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1CCOC ZINC000117371843 671198118 /nfs/dbraw/zinc/19/81/18/671198118.db2.gz YCWDSYOSMBQLJB-ZDUSSCGKSA-N 0 0 307.460 0.614 10 0 DCAERN C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)O1 ZINC000398075544 1158113414 /nfs/dbraw/zinc/11/34/14/1158113414.db2.gz INXZNLXMLLKURQ-IUCAKERBSA-N 0 0 318.420 0.622 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(Cn2cnc(C(=O)OC)n2)C1 ZINC000101538705 671771850 /nfs/dbraw/zinc/77/18/50/671771850.db2.gz QACRGVLYGNBDOP-LLVKDONJSA-N 0 0 309.370 0.403 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@H]2CCC3(CCC3)O2)C1 ZINC000716949587 671779970 /nfs/dbraw/zinc/77/99/70/671779970.db2.gz ZVHISVSUDIVWIX-GHMZBOCLSA-N 0 0 302.396 0.368 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000101905192 671787217 /nfs/dbraw/zinc/78/72/17/671787217.db2.gz ATDFXIYJJPPOQL-GFCCVEGCSA-N 0 0 323.397 0.651 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)Cc2cnn(C)c2)C1 ZINC000121527846 672066025 /nfs/dbraw/zinc/06/60/25/672066025.db2.gz VJQVNYIYWPHBIZ-CYBMUJFWSA-N 0 0 309.366 0.533 10 0 DCAERN COc1ncc(S(=O)(=O)NCC2CCC(O)CC2)s1 ZINC000389082100 685256073 /nfs/dbraw/zinc/25/60/73/685256073.db2.gz LNNDMWYDEJJFFA-UHFFFAOYSA-N 0 0 306.409 0.981 10 0 DCAERN Cn1ncc(C(=O)N2CCNC(=O)CC2)c1Br ZINC000393590293 685264514 /nfs/dbraw/zinc/26/45/14/685264514.db2.gz OMPRTUVHZLSNRX-UHFFFAOYSA-N 0 0 301.144 0.145 10 0 DCAERN CC(C)(CCS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000717939611 685303917 /nfs/dbraw/zinc/30/39/17/685303917.db2.gz UBCXFXUMZRTMHI-LLVKDONJSA-N 0 0 324.468 0.505 10 0 DCAERN CN(CCS(N)(=O)=O)S(=O)(=O)CCC(C)(C)C1CC1 ZINC000717938956 685303950 /nfs/dbraw/zinc/30/39/50/685303950.db2.gz SHBDZFCPVAQIAI-UHFFFAOYSA-N 0 0 312.457 0.363 10 0 DCAERN CC[C@@H](NC(C)=O)C(=O)NCc1cn(C)nc1Br ZINC000720063067 685311421 /nfs/dbraw/zinc/31/14/21/685311421.db2.gz QISUNPVEGSODGU-SECBINFHSA-N 0 0 317.187 0.714 10 0 DCAERN CC[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)[O-] ZINC000720479762 685313881 /nfs/dbraw/zinc/31/38/81/685313881.db2.gz BTZSMWQLLGXQMR-AXFHLTTASA-N 0 0 301.412 0.729 10 0 DCAERN CO[C@]1(CNC(=O)c2cc(Cl)ccn2)CCS(=O)(=O)C1 ZINC000720850022 685316128 /nfs/dbraw/zinc/31/61/28/685316128.db2.gz ZCEFVTYXLYMLMF-LBPRGKRZSA-N 0 0 318.782 0.669 10 0 DCAERN COc1cc(C)nc(NC[C@@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721219133 685318461 /nfs/dbraw/zinc/31/84/61/685318461.db2.gz LXOFKOIVBRNELD-LBPRGKRZSA-N 0 0 301.368 0.409 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000037991743 685056942 /nfs/dbraw/zinc/05/69/42/685056942.db2.gz SFLWPBHXQCMKEW-YUMQZZPRSA-N 0 0 320.802 0.348 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)CC1CC(O)C1)C2=O ZINC000135365003 685121369 /nfs/dbraw/zinc/12/13/69/685121369.db2.gz PZBCBURZYXMLQV-UHFFFAOYSA-N 0 0 316.357 0.820 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCN1CC(F)(F)F ZINC000245761378 685158824 /nfs/dbraw/zinc/15/88/24/685158824.db2.gz ZPHIBJZRRIEPGQ-HTQZYQBOSA-N 0 0 311.329 0.906 10 0 DCAERN COC(=O)[C@@H]1CCCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000246935114 685168243 /nfs/dbraw/zinc/16/82/43/685168243.db2.gz DSTYLSCSFDVULH-AGIUHOORSA-N 0 0 306.362 0.780 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174751 685170302 /nfs/dbraw/zinc/17/03/02/685170302.db2.gz RKYLTFITBHIGKE-CHWSQXEVSA-N 0 0 318.826 0.997 10 0 DCAERN Cn1ncc(C(=O)N[C@H]2CCCNC2=O)c1Br ZINC000379171700 685235137 /nfs/dbraw/zinc/23/51/37/685235137.db2.gz OPJLCZAXDOQTKX-ZETCQYMHSA-N 0 0 301.144 0.191 10 0 DCAERN Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000380125678 685236672 /nfs/dbraw/zinc/23/66/72/685236672.db2.gz LXAYWCQMWSGGEZ-LBPRGKRZSA-N 0 0 318.160 0.759 10 0 DCAERN O=S1(=O)CCCN(c2cnc(Br)cn2)CC1 ZINC000380516770 685237775 /nfs/dbraw/zinc/23/77/75/685237775.db2.gz UFTXVZVSKWYQEE-UHFFFAOYSA-N 0 0 306.185 0.864 10 0 DCAERN NS(=O)(=O)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000088538798 1157503640 /nfs/dbraw/zinc/50/36/40/1157503640.db2.gz ZAJXLMNZDDJWID-UHFFFAOYSA-N 0 0 308.319 0.709 10 0 DCAERN Cn1cc(Cl)c(CNCCS(=O)(=O)N2CCCC2)n1 ZINC000393352395 1157761410 /nfs/dbraw/zinc/76/14/10/1157761410.db2.gz ZEFXWGYGWFCCKB-UHFFFAOYSA-N 0 0 306.819 0.589 10 0 DCAERN Cn1cc(Br)c(CNC(=O)CCn2cncn2)n1 ZINC000393661938 1157823927 /nfs/dbraw/zinc/82/39/27/1157823927.db2.gz SKXFEZCXXAGMOA-UHFFFAOYSA-N 0 0 313.159 0.481 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NC[C@H]1CNC(=O)C1 ZINC000398339549 1158116566 /nfs/dbraw/zinc/11/65/66/1158116566.db2.gz JWIKEYMKZUPIKV-SSDOTTSWSA-N 0 0 312.167 0.897 10 0 DCAERN C[C@H](NC(N)=O)C(=O)NCCNc1ncccc1C(F)(F)F ZINC000058981694 1171985775 /nfs/dbraw/zinc/98/57/75/1171985775.db2.gz NEFUOERKXOGKII-ZETCQYMHSA-N 0 0 319.287 0.685 10 0 DCAERN CNc1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)nc1 ZINC000228605442 1177519101 /nfs/dbraw/zinc/51/91/01/1177519101.db2.gz WGVOSEIGYTWXPC-LLVKDONJSA-N 0 0 315.420 0.683 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1cc(F)c(F)cc1N ZINC000230976893 1180555267 /nfs/dbraw/zinc/55/52/67/1180555267.db2.gz SPQHPEXJPLXJNL-UHFFFAOYSA-N 0 0 307.322 0.216 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000175425817 1184094924 /nfs/dbraw/zinc/09/49/24/1184094924.db2.gz BIWHYAKMKRLMER-UWVGGRQHSA-N 0 0 324.347 0.774 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@H](O)c2ccccc2)c1 ZINC000178347255 1184451873 /nfs/dbraw/zinc/45/18/73/1184451873.db2.gz XFLXEZCTYCXANN-AWEZNQCLSA-N 0 0 320.370 0.797 10 0 DCAERN Cc1cc(=O)n2nc(CN3CCO[C@]4(CCOC4)C3)sc2n1 ZINC000185170988 1187242001 /nfs/dbraw/zinc/24/20/01/1187242001.db2.gz XKNJLWHEWMJHEJ-CQSZACIVSA-N 0 0 322.390 0.451 10 0 DCAERN Nc1cc(Cl)ccc1C(=O)NCCN1CCCS1(=O)=O ZINC000405317832 1190286533 /nfs/dbraw/zinc/28/65/33/1190286533.db2.gz BRMSDBJVIJMVNC-UHFFFAOYSA-N 0 0 317.798 0.688 10 0 DCAERN Cn1ncc(Cn2cccc(I)c2=O)n1 ZINC000306332165 1190383479 /nfs/dbraw/zinc/38/34/79/1190383479.db2.gz CPHTXUFZCQSUMT-UHFFFAOYSA-N 0 0 316.102 0.630 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909524 1190386386 /nfs/dbraw/zinc/38/63/86/1190386386.db2.gz XJNKYAPTOYWRAB-LJQANCHMSA-N 0 0 318.420 0.171 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)c1c(Br)nnn1C ZINC000310199343 1190389228 /nfs/dbraw/zinc/38/92/28/1190389228.db2.gz BGUCUXRIZAMYID-RXMQYKEDSA-N 0 0 307.148 0.315 10 0 DCAERN CS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC000311542911 1190392451 /nfs/dbraw/zinc/39/24/51/1190392451.db2.gz NUAFIEPYGXSIEM-UHFFFAOYSA-N 0 0 303.771 0.779 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1N ZINC000390217600 1190699900 /nfs/dbraw/zinc/69/99/00/1190699900.db2.gz ZLMLRMUKQGVBIU-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000588527861 747408252 /nfs/dbraw/zinc/40/82/52/747408252.db2.gz VTDQXYWQPFTAFF-MBNYWOFBSA-N 0 0 306.410 0.917 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C[C@H](C)O)[C@@H](C)CO ZINC000588553684 747435589 /nfs/dbraw/zinc/43/55/89/747435589.db2.gz WSVGXPGVKDPVCD-RWMBFGLXSA-N 0 0 324.425 0.278 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1F ZINC000401857883 774068883 /nfs/dbraw/zinc/06/88/83/774068883.db2.gz ZPXUSKDPTNHLLD-MRVPVSSYSA-N 0 0 308.356 0.028 10 0 DCAERN CN1CCN(C(=O)CN2CCC=C(Br)C2)CC1 ZINC000404202256 774126281 /nfs/dbraw/zinc/12/62/81/774126281.db2.gz KWFKJPAXQLMFIW-UHFFFAOYSA-N 0 0 302.216 0.745 10 0 DCAERN C[S@@](=N)(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000404653147 774138136 /nfs/dbraw/zinc/13/81/36/774138136.db2.gz SAIHDOVXMRRNTF-KRWDZBQOSA-N 0 0 320.216 0.953 10 0 DCAERN C[C@@H](CCO)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307890812 774140524 /nfs/dbraw/zinc/14/05/24/774140524.db2.gz ILIUXRBWPLJZOY-VIFPVBQESA-N 0 0 300.380 0.421 10 0 DCAERN Cn1ncc(CNC(=O)c2nscc2Br)n1 ZINC000404843181 774143867 /nfs/dbraw/zinc/14/38/67/774143867.db2.gz PBCOJQPYLXZXSA-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN C[NH+](C)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694173687 976674773 /nfs/dbraw/zinc/67/47/73/976674773.db2.gz UOWQVPRLEIOXQG-UHFFFAOYSA-N 0 0 302.352 0.693 10 0 DCAERN CC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000074612852 185003032 /nfs/dbraw/zinc/00/30/32/185003032.db2.gz LIOLVSQBBBOFSW-SWLSCSKDSA-N 0 0 309.414 0.849 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NC2CCOCC2)cc1 ZINC000074627164 185004085 /nfs/dbraw/zinc/00/40/85/185004085.db2.gz VCBKKRWSUFKNJI-UHFFFAOYSA-N 0 0 313.379 0.312 10 0 DCAERN CC(C)CCO[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC000081816187 192328670 /nfs/dbraw/zinc/32/86/70/192328670.db2.gz ZUVKZDVZEAXQGR-NEPJUHHUSA-N 0 0 306.428 0.588 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000181286779 199275764 /nfs/dbraw/zinc/27/57/64/199275764.db2.gz RUWMSLYQTPOIGR-JTQLQIEISA-N 0 0 323.378 0.365 10 0 DCAERN CNC(=O)c1ccc(N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1 ZINC000278745416 214370700 /nfs/dbraw/zinc/37/07/00/214370700.db2.gz MFTHZLIHWYNQCY-ZDUSSCGKSA-N 0 0 319.409 0.383 10 0 DCAERN CCc1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)[nH]n1 ZINC000299741128 529514793 /nfs/dbraw/zinc/51/47/93/529514793.db2.gz CXPIVYDQTHATRH-HTQZYQBOSA-N 0 0 304.272 0.708 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1C[C@H]1C ZINC000087899866 185236241 /nfs/dbraw/zinc/23/62/41/185236241.db2.gz UHFMTHGETBLDHR-HTQZYQBOSA-N 0 0 314.363 0.489 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990201 185275152 /nfs/dbraw/zinc/27/51/52/185275152.db2.gz YDVZSSSBKHSFKM-UHFFFAOYSA-N 0 0 302.128 0.554 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)[C@@H]1CCCC12OCCO2 ZINC000375098362 295700452 /nfs/dbraw/zinc/70/04/52/295700452.db2.gz CWCSRDYSRVYTGD-NSHDSACASA-N 0 0 306.366 0.774 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2ccnc2)C1 ZINC000276107093 529782566 /nfs/dbraw/zinc/78/25/66/529782566.db2.gz WVEBDTWWTVENMD-OAHLLOKOSA-N 0 0 321.425 0.635 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccncc3)C[C@@H]21 ZINC000299751690 529786211 /nfs/dbraw/zinc/78/62/11/529786211.db2.gz RHZWOZFCQPGGOP-UONOGXRCSA-N 0 0 313.361 0.627 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)NCC3(CCO)CC3)cc21 ZINC000186540671 529812875 /nfs/dbraw/zinc/81/28/75/529812875.db2.gz LKQHFGKUBBHIPO-UHFFFAOYSA-N 0 0 317.389 0.896 10 0 DCAERN CNC(=O)Cn1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000172887007 529877102 /nfs/dbraw/zinc/87/71/02/529877102.db2.gz MVVYZYUDUYYWOX-SNVBAGLBSA-N 0 0 315.399 0.018 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC000178420775 529919328 /nfs/dbraw/zinc/91/93/28/529919328.db2.gz PAMAOINMOFMEND-CYBMUJFWSA-N 0 0 322.413 0.022 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C(C)C ZINC000178426081 529919604 /nfs/dbraw/zinc/91/96/04/529919604.db2.gz DRJOQTNGSVEGNN-SNVBAGLBSA-N 0 0 300.403 0.219 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCCS(=O)(=O)CC1 ZINC000333193891 304771948 /nfs/dbraw/zinc/77/19/48/304771948.db2.gz SVIFLMFCRLIOGU-WOPDTQHZSA-N 0 0 307.437 0.625 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@@H]2CCOC2)CC[S@]1=O ZINC000184310858 282375598 /nfs/dbraw/zinc/37/55/98/282375598.db2.gz PIVAYOIHMNKTSQ-BLVKFPJESA-N 0 0 323.480 0.976 10 0 DCAERN C/C(=C/c1ccc(F)cc1)C(=O)NCCN1CCNC(=O)C1 ZINC000272729073 210133473 /nfs/dbraw/zinc/13/34/73/210133473.db2.gz ZINZPSQSJGXFGW-BENRWUELSA-N 0 0 305.353 0.777 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000181799304 199353268 /nfs/dbraw/zinc/35/32/68/199353268.db2.gz DYHCUNIJPLMPGH-OCCSQVGLSA-N 0 0 323.441 0.888 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000181784089 199351964 /nfs/dbraw/zinc/35/19/64/199351964.db2.gz WOTQXVMIPQKHNS-CQSZACIVSA-N 0 0 309.414 0.290 10 0 DCAERN O=C(N[C@H]1CCCOCC1)N1CCN(c2cccnn2)CC1 ZINC000181814949 199356462 /nfs/dbraw/zinc/35/64/62/199356462.db2.gz WGAWAMJWAXLEDZ-ZDUSSCGKSA-N 0 0 305.382 0.877 10 0 DCAERN CCOC(=O)[C@H]([NH3+])CCn1cc(I)cn1 ZINC000070678584 545660561 /nfs/dbraw/zinc/66/05/61/545660561.db2.gz QJGGAFJCZYZBTF-MRVPVSSYSA-N 0 0 323.134 0.768 10 0 DCAERN CC1(CNC(=O)CCNS(=O)(=O)c2cccs2)COC1 ZINC000083522772 192371845 /nfs/dbraw/zinc/37/18/45/192371845.db2.gz UDNZJCIVZPJVPX-UHFFFAOYSA-N 0 0 318.420 0.569 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000083615046 192375070 /nfs/dbraw/zinc/37/50/70/192375070.db2.gz AFAASTOICBHYHM-NSHDSACASA-N 0 0 322.390 0.599 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000287097108 219311247 /nfs/dbraw/zinc/31/12/47/219311247.db2.gz XGCPBVPXZXMJBJ-PWSUYJOCSA-N 0 0 303.297 0.305 10 0 DCAERN CCCNC(=O)[C@H](C)S(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453027336 535117799 /nfs/dbraw/zinc/11/77/99/535117799.db2.gz BDTYAHWRNWSVRU-ZETCQYMHSA-N 0 0 320.392 0.618 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000253394506 186304376 /nfs/dbraw/zinc/30/43/76/186304376.db2.gz JMKRRZVGNIKMSM-CABCVRRESA-N 0 0 306.410 0.511 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CC[C@@H](N2CCOCC2)C1 ZINC000251860155 295814904 /nfs/dbraw/zinc/81/49/04/295814904.db2.gz ODOAOZRABYXHPR-TUVASFSCSA-N 0 0 309.410 0.670 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCOC2)[C@H]1c1cccnc1 ZINC000172130815 198043884 /nfs/dbraw/zinc/04/38/84/198043884.db2.gz DNBGCHZKVLRTSJ-VNHYZAJKSA-N 0 0 303.362 0.896 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000172605838 198123092 /nfs/dbraw/zinc/12/30/92/198123092.db2.gz JCTYADHJDYTCNQ-QWHCGFSZSA-N 0 0 307.398 0.762 10 0 DCAERN Cc1cc(N2CC[C@H](Sc3nnc(C)n3N)C2=O)n(C)n1 ZINC000172901440 198165943 /nfs/dbraw/zinc/16/59/43/198165943.db2.gz AHUCWCWBSFHQFI-VIFPVBQESA-N 0 0 307.383 0.240 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000173476903 198218766 /nfs/dbraw/zinc/21/87/66/198218766.db2.gz KGWXAVIMKLZBLV-ZWNOBZJWSA-N 0 0 324.402 0.687 10 0 DCAERN O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000173508567 198222313 /nfs/dbraw/zinc/22/23/13/198222313.db2.gz HRCBEDZBNSCTHR-OLZOCXBDSA-N 0 0 316.357 0.910 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC000173531266 198224853 /nfs/dbraw/zinc/22/48/53/198224853.db2.gz YJDLSVKYYHNPCJ-LLVKDONJSA-N 0 0 318.345 0.657 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)Cn3nc(C)cc3C)CCO2)[nH]1 ZINC000173554238 198225757 /nfs/dbraw/zinc/22/57/57/198225757.db2.gz OFWPSGWPSHDYKD-LBPRGKRZSA-N 0 0 318.381 0.781 10 0 DCAERN Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000173841838 198259478 /nfs/dbraw/zinc/25/94/78/198259478.db2.gz HVVBXOZWVLAQFX-DOMZBBRYSA-N 0 0 306.410 0.679 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000173886885 198265454 /nfs/dbraw/zinc/26/54/54/198265454.db2.gz YHTNHFMJZRCIMM-OCCSQVGLSA-N 0 0 305.378 0.178 10 0 DCAERN CO[C@@H](C)C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000173825474 198257771 /nfs/dbraw/zinc/25/77/71/198257771.db2.gz DDBOXCAOZKEVAQ-ZDUSSCGKSA-N 0 0 319.405 0.977 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CCO2)n1 ZINC000174771584 198382382 /nfs/dbraw/zinc/38/23/82/198382382.db2.gz JMLUGRXCDALKCZ-GJZGRUSLSA-N 0 0 322.409 0.058 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnsn3)C2=O)n(C)n1 ZINC000174997620 198412891 /nfs/dbraw/zinc/41/28/91/198412891.db2.gz YNAQWUKKNMLFAP-SECBINFHSA-N 0 0 320.378 0.505 10 0 DCAERN OC[C@@H]1O[C@@H](Oc2cccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O ZINC000004021774 181063235 /nfs/dbraw/zinc/06/32/35/181063235.db2.gz CVAOQMBKGUKOIZ-UYJHQMFVSA-N 0 0 306.314 0.019 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000182470502 199445955 /nfs/dbraw/zinc/44/59/55/199445955.db2.gz XMIPQACMIGHQSP-ZJUUUORDSA-N 0 0 317.411 0.022 10 0 DCAERN C[C@@H](CN(C1CC1)[C@H]1CCS(=O)(=O)C1)CS(C)(=O)=O ZINC000246561400 295888749 /nfs/dbraw/zinc/88/87/49/295888749.db2.gz NJAYQMDDVAUTLV-JQWIXIFHSA-N 0 0 309.453 0.319 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000047952634 291062204 /nfs/dbraw/zinc/06/22/04/291062204.db2.gz PKWSBBKCEFFUCA-GHMZBOCLSA-N 0 0 308.400 0.224 10 0 DCAERN CCc1nc2c(s1)c(C)nn(CC(=O)NCCOC)c2=O ZINC000075551663 191490378 /nfs/dbraw/zinc/49/03/78/191490378.db2.gz PUUXWSYKQDMFEK-UHFFFAOYSA-N 0 0 310.379 0.486 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000080047565 191997033 /nfs/dbraw/zinc/99/70/33/191997033.db2.gz KCMXLAWLUZKRQE-SNVBAGLBSA-N 0 0 300.380 0.486 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000081073388 192222273 /nfs/dbraw/zinc/22/22/73/192222273.db2.gz NMTWBYDDDKLVOG-NWDGAFQWSA-N 0 0 314.411 0.910 10 0 DCAERN O=C(Nc1cc(F)cc(F)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177625023 198752954 /nfs/dbraw/zinc/75/29/54/198752954.db2.gz YCKUPISNMBEVSA-JTQLQIEISA-N 0 0 321.287 0.626 10 0 DCAERN Cn1nccc1CCC(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000184490558 199723393 /nfs/dbraw/zinc/72/33/93/199723393.db2.gz IWORTZXPIUWGAP-INIZCTEOSA-N 0 0 300.362 0.870 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275505207 295929948 /nfs/dbraw/zinc/92/99/48/295929948.db2.gz KQUZTJCPVXOSQF-QWHCGFSZSA-N 0 0 322.409 0.375 10 0 DCAERN CNC(=O)NCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000185800610 290505440 /nfs/dbraw/zinc/50/54/40/290505440.db2.gz VHKRIPVQILBARE-CYBMUJFWSA-N 0 0 322.340 0.063 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000178310302 198847394 /nfs/dbraw/zinc/84/73/94/198847394.db2.gz MXCJDQSSRPTTLC-CHWSQXEVSA-N 0 0 307.398 0.858 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)c1nccnc1C(N)=O ZINC000172788936 283288599 /nfs/dbraw/zinc/28/85/99/283288599.db2.gz HKLKEMTZLKELBR-LLVKDONJSA-N 0 0 306.366 0.997 10 0 DCAERN O=C(NCCCc1ccccn1)NCCN1C(=O)CCC1=O ZINC000179226614 199001349 /nfs/dbraw/zinc/00/13/49/199001349.db2.gz YFWLNKDSUMDICT-UHFFFAOYSA-N 0 0 304.350 0.462 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000179371843 199023566 /nfs/dbraw/zinc/02/35/66/199023566.db2.gz NTTNFQPDIIIYHT-NSHDSACASA-N 0 0 315.333 0.801 10 0 DCAERN CN(C)C(=O)CCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000179374388 199024705 /nfs/dbraw/zinc/02/47/05/199024705.db2.gz CBUMBJZFAWUOGD-UHFFFAOYSA-N 0 0 318.420 0.750 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H](O)C2CCCCC2)cn1 ZINC000179460199 199038794 /nfs/dbraw/zinc/03/87/94/199038794.db2.gz KXENJCLTENDILN-CYBMUJFWSA-N 0 0 323.397 0.692 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)C[C@H]1N1CCOCC1 ZINC000180255404 199137339 /nfs/dbraw/zinc/13/73/39/199137339.db2.gz WOIHLYWNEMMRII-TZMCWYRMSA-N 0 0 318.377 0.199 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180380950 199152147 /nfs/dbraw/zinc/15/21/47/199152147.db2.gz OYXZYDHMOPQIHF-LBPRGKRZSA-N 0 0 307.398 0.104 10 0 DCAERN CCCN1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C(C)(C)C1=O ZINC000408380369 283346114 /nfs/dbraw/zinc/34/61/14/283346114.db2.gz YCHJPWFCXTXQIA-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180401244 199154442 /nfs/dbraw/zinc/15/44/42/199154442.db2.gz ZIKBRTLHEXVGFL-WFASDCNBSA-N 0 0 321.425 0.540 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180577729 199178881 /nfs/dbraw/zinc/17/88/81/199178881.db2.gz FKSRUMRQNUPXAO-GFCCVEGCSA-N 0 0 317.349 0.543 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccn[nH]1 ZINC000180931341 199229347 /nfs/dbraw/zinc/22/93/47/199229347.db2.gz XOPPEIGSOPQSAW-SECBINFHSA-N 0 0 302.338 0.099 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181129121 199255207 /nfs/dbraw/zinc/25/52/07/199255207.db2.gz KFJYZZVUXGOWKH-GHMZBOCLSA-N 0 0 316.365 0.844 10 0 DCAERN NC(=O)C1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000127701890 236964188 /nfs/dbraw/zinc/96/41/88/236964188.db2.gz LBYVARNTJVNJBZ-SNVBAGLBSA-N 0 0 307.316 0.737 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000151086680 236996125 /nfs/dbraw/zinc/99/61/25/236996125.db2.gz XOYNVXQEXWRFKV-CHWSQXEVSA-N 0 0 318.439 0.325 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cnn1C ZINC000152633280 237008153 /nfs/dbraw/zinc/00/81/53/237008153.db2.gz GXFTXBSNUOTBFB-UWVGGRQHSA-N 0 0 302.400 0.172 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n(C)n1 ZINC000153616070 237019474 /nfs/dbraw/zinc/01/94/74/237019474.db2.gz OTBWHKLDXCRYDD-XHDPSFHLSA-N 0 0 306.366 0.519 10 0 DCAERN Cc1nnc([C@@H]2CN(Cc3nsc(N(C)C)n3)CCO2)[nH]1 ZINC000154015824 237022202 /nfs/dbraw/zinc/02/22/02/237022202.db2.gz XEXDPZSDCUUTCK-VIFPVBQESA-N 0 0 309.399 0.604 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000156855772 237055219 /nfs/dbraw/zinc/05/52/19/237055219.db2.gz VNKZCNVNLQZOHA-SKDRFNHKSA-N 0 0 324.299 0.007 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H](C)O3)C2=O)n(C)n1 ZINC000157661470 237059228 /nfs/dbraw/zinc/05/92/28/237059228.db2.gz NTKRDFAMABGUTL-SRVKXCTJSA-N 0 0 306.366 0.518 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C ZINC000173123637 237156368 /nfs/dbraw/zinc/15/63/68/237156368.db2.gz GDHCLAPJZVEZKD-WPRPVWTQSA-N 0 0 315.395 0.969 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@@H]1C ZINC000167465847 237125991 /nfs/dbraw/zinc/12/59/91/237125991.db2.gz ISHRQBOAACDPEP-RKDXNWHRSA-N 0 0 316.354 0.723 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3=O)C1 ZINC000186848318 200020644 /nfs/dbraw/zinc/02/06/44/200020644.db2.gz UWJJWNBXAQPZRH-GFCCVEGCSA-N 0 0 316.357 0.918 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000281011237 216020953 /nfs/dbraw/zinc/02/09/53/216020953.db2.gz OOCZXUJFVKCAHE-WCQYABFASA-N 0 0 304.394 0.604 10 0 DCAERN O=C(c1cccc(-n2cncn2)c1)N1CCC[C@H](OCCO)C1 ZINC000178622716 237230943 /nfs/dbraw/zinc/23/09/43/237230943.db2.gz ZVTAUQROEMINDQ-HNNXBMFYSA-N 0 0 316.361 0.881 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCC(=O)NCC3CC3)CC2)n[nH]1 ZINC000186828114 237327148 /nfs/dbraw/zinc/32/71/48/237327148.db2.gz XHKKKEANVRTDGQ-UHFFFAOYSA-N 0 0 320.397 0.076 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186830991 237327213 /nfs/dbraw/zinc/32/72/13/237327213.db2.gz JTDWTXRZAGEBDK-NWDGAFQWSA-N 0 0 318.377 0.886 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000190011338 237420039 /nfs/dbraw/zinc/42/00/39/237420039.db2.gz DSZZIRDJSNVCAR-NEPJUHHUSA-N 0 0 304.412 0.486 10 0 DCAERN COC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000190426416 237431808 /nfs/dbraw/zinc/43/18/08/237431808.db2.gz ZCZHABDWGRKEPT-MNOVXSKESA-N 0 0 317.345 0.799 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000188285218 200222207 /nfs/dbraw/zinc/22/22/07/200222207.db2.gz FFYOMGQYLUEIMN-GFCCVEGCSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@]1(C(=O)N2CCO[C@H](Cn3cccn3)C2)CCC(=O)NC1 ZINC000281135351 216102419 /nfs/dbraw/zinc/10/24/19/216102419.db2.gz DINJNPQCURJNDK-WFASDCNBSA-N 0 0 306.366 0.027 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000153563966 291207719 /nfs/dbraw/zinc/20/77/19/291207719.db2.gz HNTVMWLRCYWLSZ-LBPRGKRZSA-N 0 0 308.378 0.929 10 0 DCAERN Cc1nn(CC(=O)N2CCN(CCO)[C@H](C)C2)c(C)c1Cl ZINC000188729789 200295964 /nfs/dbraw/zinc/29/59/64/200295964.db2.gz CCLYTVMSOXDBHI-SNVBAGLBSA-N 0 0 314.817 0.678 10 0 DCAERN O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CNC(=O)C1 ZINC000154583036 291214680 /nfs/dbraw/zinc/21/46/80/291214680.db2.gz PWOYPEDXDOCRKT-MRVPVSSYSA-N 0 0 317.267 0.732 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c(=O)[nH]c1C ZINC000155106649 291217997 /nfs/dbraw/zinc/21/79/97/291217997.db2.gz LWAQXALCUMNODP-JTQLQIEISA-N 0 0 318.333 0.414 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000155127866 291218176 /nfs/dbraw/zinc/21/81/76/291218176.db2.gz CXDIFVSYIHXENU-UHFFFAOYSA-N 0 0 317.349 0.436 10 0 DCAERN Cc1ncc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C2CC2)n1 ZINC000281169226 216127228 /nfs/dbraw/zinc/12/72/28/216127228.db2.gz GUJOCFFWRLYZBH-LLVKDONJSA-N 0 0 324.406 0.426 10 0 DCAERN COCCCOC1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000155334778 291219161 /nfs/dbraw/zinc/21/91/61/291219161.db2.gz HRWTUVAJJSQYDH-GFCCVEGCSA-N 0 0 306.428 0.700 10 0 DCAERN O=C(NCCOCCO)c1ccn(-c2c(F)cccc2F)n1 ZINC000158441618 291231662 /nfs/dbraw/zinc/23/16/62/291231662.db2.gz JLOBBZNUGPOJQH-UHFFFAOYSA-N 0 0 311.288 0.889 10 0 DCAERN CN(C(=O)c1ccc(S(N)(=O)=O)cc1F)[C@H]1CCOC1 ZINC000160512358 291238750 /nfs/dbraw/zinc/23/87/50/291238750.db2.gz XFSIPDQQOSVDHG-QMMMGPOBSA-N 0 0 302.327 0.334 10 0 DCAERN O=C(c1ccccc1)N1C(=O)CC[C@H]1C(=O)N1CCOCC1 ZINC000006095766 181312699 /nfs/dbraw/zinc/31/26/99/181312699.db2.gz RUYWHIXOSWODCC-ZDUSSCGKSA-N 0 0 302.330 0.677 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CCO[C@H](CO)C2)n1 ZINC000168363028 291249158 /nfs/dbraw/zinc/24/91/58/291249158.db2.gz XWXJTRLAEARNQY-ZETCQYMHSA-N 0 0 303.771 0.685 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1C ZINC000167700594 291249244 /nfs/dbraw/zinc/24/92/44/291249244.db2.gz XEODWSYQEVMEDG-GFCCVEGCSA-N 0 0 315.391 0.776 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1[C@H](C)COC[C@@H]1C ZINC000247353048 291248470 /nfs/dbraw/zinc/24/84/70/291248470.db2.gz ZQOONYUWEVADMM-FRRDWIJNSA-N 0 0 300.399 0.800 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)cc1C(N)=O ZINC000299910294 291251313 /nfs/dbraw/zinc/25/13/13/291251313.db2.gz ZGMWMSGLFCJGGJ-ZWNOBZJWSA-N 0 0 312.391 0.485 10 0 DCAERN Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1nnc[n-]1 ZINC000328656025 291259984 /nfs/dbraw/zinc/25/99/84/291259984.db2.gz YZOMHINDDJOVAC-QWRGUYRKSA-N 0 0 308.317 0.444 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC1=O ZINC000281509645 216351090 /nfs/dbraw/zinc/35/10/90/216351090.db2.gz HRYAJEQEHBHCRV-LLVKDONJSA-N 0 0 324.402 0.988 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC(C)(CO)CC1 ZINC000401858548 239252803 /nfs/dbraw/zinc/25/28/03/239252803.db2.gz AUHYNVCYRKSKHF-UHFFFAOYSA-N 0 0 307.803 0.857 10 0 DCAERN O=C(NCc1cccnn1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000566451885 291303512 /nfs/dbraw/zinc/30/35/12/291303512.db2.gz DCGHBAHVHYFNLN-QGZVFWFLSA-N 0 0 310.357 0.941 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CCO[C@]2(CCOC2)C1 ZINC000274480168 296060974 /nfs/dbraw/zinc/06/09/74/296060974.db2.gz RACQCVBWPVCDQG-GOEBONIOSA-N 0 0 305.330 0.844 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[C@@H]1CCCO1 ZINC000275456847 212344592 /nfs/dbraw/zinc/34/45/92/212344592.db2.gz RNNIUCKAQQRHCJ-MJBXVCDLSA-N 0 0 321.425 0.986 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)C1CC1 ZINC000275406353 212314830 /nfs/dbraw/zinc/31/48/30/212314830.db2.gz BJEQFHVZCWDYHR-UONOGXRCSA-N 0 0 321.425 0.843 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000567025946 291333478 /nfs/dbraw/zinc/33/34/78/291333478.db2.gz MABUTNBJHJSBRD-KLKYFPMNSA-N 0 0 305.440 0.384 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000567025948 291333605 /nfs/dbraw/zinc/33/36/05/291333605.db2.gz MABUTNBJHJSBRD-KYRHDWTISA-N 0 0 305.440 0.384 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000275356030 212289552 /nfs/dbraw/zinc/28/95/52/212289552.db2.gz ISJJYFKAWNQCCD-KBPBESRZSA-N 0 0 321.425 0.987 10 0 DCAERN CN(CCCO)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000441632956 240530042 /nfs/dbraw/zinc/53/00/42/240530042.db2.gz IWYBIAOYDJCAQW-LBPRGKRZSA-N 0 0 319.361 0.738 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC(CC(N)=O)CC2)n1 ZINC000441243274 240508493 /nfs/dbraw/zinc/50/84/93/240508493.db2.gz HHJJWFSSYITGRD-UHFFFAOYSA-N 0 0 320.393 0.930 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000567299113 291347851 /nfs/dbraw/zinc/34/78/51/291347851.db2.gz CRCCPNDQPDLRGS-UHFFFAOYSA-N 0 0 317.349 0.161 10 0 DCAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCN2CCOC[C@H]2C1 ZINC000374959896 296080535 /nfs/dbraw/zinc/08/05/35/296080535.db2.gz FGJOKDGVEIFVCZ-HIFRSBDPSA-N 0 0 316.357 0.311 10 0 DCAERN O=C(NCCSc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000457522295 241011380 /nfs/dbraw/zinc/01/13/80/241011380.db2.gz YYQWKQAJSXYWRX-LBPRGKRZSA-N 0 0 321.406 0.731 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457768461 241032074 /nfs/dbraw/zinc/03/20/74/241032074.db2.gz SICBWFDSIGYOOF-KKJSVHSVSA-N 0 0 324.377 0.174 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccncc1C ZINC000488172582 241089857 /nfs/dbraw/zinc/08/98/57/241089857.db2.gz SCTPTAWPBLZNME-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN CNC(=O)CCCNC(=O)NCCCc1nnc2ccccn21 ZINC000489323732 241091007 /nfs/dbraw/zinc/09/10/07/241091007.db2.gz UCDJJGYGMRDTBN-UHFFFAOYSA-N 0 0 318.381 0.487 10 0 DCAERN CCN1C[C@@H](NC(=O)NC[C@@H](CO)c2ccccc2)CC1=O ZINC000459031188 241054285 /nfs/dbraw/zinc/05/42/85/241054285.db2.gz QEXXEWBDKMDPDI-KBPBESRZSA-N 0 0 305.378 0.683 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CSC ZINC000495210821 241212362 /nfs/dbraw/zinc/21/23/62/241212362.db2.gz DXNPPZUANANDOF-UTLUCORTSA-N 0 0 319.427 0.493 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H]1CCc2nccn2C1)N1CCOCC1 ZINC000275307622 212263664 /nfs/dbraw/zinc/26/36/64/212263664.db2.gz HPHWTFBPWISPRM-KBPBESRZSA-N 0 0 321.425 0.465 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1ccccc1OCC(=O)N(C)C ZINC000092098744 193158395 /nfs/dbraw/zinc/15/83/95/193158395.db2.gz AQUZWKNXHOYCSO-CQSZACIVSA-N 0 0 319.405 0.864 10 0 DCAERN Cn1c(CN2CCOC[C@H]2C(N)=O)nnc1-c1ccccc1 ZINC000092228346 193176251 /nfs/dbraw/zinc/17/62/51/193176251.db2.gz MBANOWDIHUWAAZ-LBPRGKRZSA-N 0 0 301.350 0.168 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCCc1nc(-c2ccccc2)no1 ZINC000092229755 193177398 /nfs/dbraw/zinc/17/73/98/193177398.db2.gz YDLBVFZHSQNTBI-ZDUSSCGKSA-N 0 0 316.361 0.855 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CC(=O)N(C)[C@@H](C)C2)NC1=O ZINC000282077848 216741981 /nfs/dbraw/zinc/74/19/81/216741981.db2.gz CGMFOBYLZZPQJO-VHSXEESVSA-N 0 0 317.345 0.709 10 0 DCAERN CC1(C)CC[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)O1 ZINC000568709040 291442067 /nfs/dbraw/zinc/44/20/67/291442067.db2.gz KQUPFEDWCGSHNY-ZDUSSCGKSA-N 0 0 309.410 0.367 10 0 DCAERN COCCCOc1cccc([C@@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093883114 193322576 /nfs/dbraw/zinc/32/25/76/193322576.db2.gz MIIGESOCHWXDLP-HUUCEWRRSA-N 0 0 306.362 0.931 10 0 DCAERN Cc1c(C(=O)N2CCC(=O)[C@H](C)C2)cccc1S(N)(=O)=O ZINC000408160214 291492383 /nfs/dbraw/zinc/49/23/83/291492383.db2.gz URMOXDIQELPKHR-SECBINFHSA-N 0 0 310.375 0.694 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000408258599 284204349 /nfs/dbraw/zinc/20/43/49/284204349.db2.gz YSJOOMSAUADMJE-RQJABVFESA-N 0 0 308.378 0.655 10 0 DCAERN CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000096064557 193516056 /nfs/dbraw/zinc/51/60/56/193516056.db2.gz ZVXQIMHDDKKRCJ-MGPQQGTHSA-N 0 0 324.402 0.608 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000408190588 296168743 /nfs/dbraw/zinc/16/87/43/296168743.db2.gz ATSXJLZHARBCSI-LLVKDONJSA-N 0 0 303.424 0.963 10 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JQQUHMDFORRDKL-UHFFFAOYSA-N 0 0 319.361 0.745 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000022549409 182326146 /nfs/dbraw/zinc/32/61/46/182326146.db2.gz KSJQNIIRFNCAHC-AWEZNQCLSA-N 0 0 310.375 0.952 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)N1CCN(CCO)CC1)c1ccccc1 ZINC000022944503 182343552 /nfs/dbraw/zinc/34/35/52/182343552.db2.gz AKCAJOOUJVKAEH-CABCVRRESA-N 0 0 305.422 0.862 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000374411404 284491119 /nfs/dbraw/zinc/49/11/19/284491119.db2.gz ZCCJZYSFIDAIDB-HWWQOWPSSA-N 0 0 310.394 0.903 10 0 DCAERN CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1N ZINC000037929728 182938397 /nfs/dbraw/zinc/93/83/97/182938397.db2.gz BGLGZZOGZGLAJS-ZETCQYMHSA-N 0 0 305.787 0.725 10 0 DCAERN CCOC(=O)CN(CC)S(=O)(=O)CCc1ccncc1 ZINC000038017405 182965715 /nfs/dbraw/zinc/96/57/15/182965715.db2.gz RKIXVQOXWFUJPL-UHFFFAOYSA-N 0 0 300.380 0.839 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CCCOC1 ZINC000038044645 182979257 /nfs/dbraw/zinc/97/92/57/182979257.db2.gz JDHONOTZIBTGLQ-SECBINFHSA-N 0 0 317.367 0.291 10 0 DCAERN Cc1nccc(N2CCN(CCNC(=O)NC(C)C)CC2)n1 ZINC000574616472 291705373 /nfs/dbraw/zinc/70/53/73/291705373.db2.gz SBZYQOXRUDLFQS-UHFFFAOYSA-N 0 0 306.414 0.615 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000104766558 194035895 /nfs/dbraw/zinc/03/58/95/194035895.db2.gz HHLJBSIAHHEECV-LBPRGKRZSA-N 0 0 314.345 0.520 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000105034960 194065577 /nfs/dbraw/zinc/06/55/77/194065577.db2.gz KAHTXOZEYXGAGC-GFCCVEGCSA-N 0 0 303.428 0.301 10 0 DCAERN C[C@H](Cc1ccc(O)cc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105181400 194082058 /nfs/dbraw/zinc/08/20/58/194082058.db2.gz BVSRQUTWLCRAPN-IUODEOHRSA-N 0 0 307.394 0.953 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1Cc1nc(-c2ccoc2)no1 ZINC000105607593 194114285 /nfs/dbraw/zinc/11/42/85/194114285.db2.gz ARTAOWKKNXTHDW-JTQLQIEISA-N 0 0 320.305 0.193 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCN(C3CC3)CC2)ncn1 ZINC000105788710 194127295 /nfs/dbraw/zinc/12/72/95/194127295.db2.gz DBMKHHBBPIVBFA-CQSZACIVSA-N 0 0 303.410 0.722 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105804485 194133817 /nfs/dbraw/zinc/13/38/17/194133817.db2.gz OQQVWQREDWVFKN-JTQLQIEISA-N 0 0 306.370 0.197 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333137844 295477714 /nfs/dbraw/zinc/47/77/14/295477714.db2.gz IVWURPVIHBELRI-VWYCJHECSA-N 0 0 307.437 0.672 10 0 DCAERN CCOc1ccnc(N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903458 194165911 /nfs/dbraw/zinc/16/59/11/194165911.db2.gz FMPMZIBMODXQOO-CQSZACIVSA-N 0 0 324.425 0.783 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000106571896 194232703 /nfs/dbraw/zinc/23/27/03/194232703.db2.gz SUBWYUXNKBUMQN-STQMWFEESA-N 0 0 302.378 0.795 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000110057969 194307678 /nfs/dbraw/zinc/30/76/78/194307678.db2.gz TVNAQPCFIWCJCQ-UHFFFAOYSA-N 0 0 317.280 0.502 10 0 DCAERN CN(CCn1cccn1)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000110599316 194341074 /nfs/dbraw/zinc/34/10/74/194341074.db2.gz AOQWAFYLZXFNLZ-CYBMUJFWSA-N 0 0 302.382 0.771 10 0 DCAERN COC[C@H](C)C(=O)NCC(C)(C)CNC(=O)[C@@H](C)COC ZINC000110868190 194365317 /nfs/dbraw/zinc/36/53/17/194365317.db2.gz NIBKSIAZMMTNHV-RYUDHWBXSA-N 0 0 302.415 0.810 10 0 DCAERN COC(=O)/C=C1\S[C@@H](NC(=O)c2ccccc2F)NC1=O ZINC000058899783 184130952 /nfs/dbraw/zinc/13/09/52/184130952.db2.gz SULHLTAUGBNUDP-XURPKSDJSA-N 0 0 310.306 0.759 10 0 DCAERN COc1cc(NC(=O)C(=O)NCCCn2ccnn2)ccc1F ZINC000187506504 532965387 /nfs/dbraw/zinc/96/53/87/532965387.db2.gz KKNXFXDBSJHXNS-UHFFFAOYSA-N 0 0 321.312 0.571 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000117703586 194841883 /nfs/dbraw/zinc/84/18/83/194841883.db2.gz LWTGLCZNRAMEAC-NSHDSACASA-N 0 0 321.381 0.344 10 0 DCAERN CN(C[C@@H]1CCOC1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000177272294 252605279 /nfs/dbraw/zinc/60/52/79/252605279.db2.gz LSADQBHBTAEORT-UONOGXRCSA-N 0 0 305.378 0.761 10 0 DCAERN CN1CCC[C@H](C(=O)N2CC[C@@H](Oc3ccccn3)C2)C1=O ZINC000333605122 252742900 /nfs/dbraw/zinc/74/29/00/252742900.db2.gz VTAMVGLAPPJRJP-OLZOCXBDSA-N 0 0 303.362 0.930 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC000333748183 252759455 /nfs/dbraw/zinc/75/94/55/252759455.db2.gz SIQSYBFMSUJIJS-RYUDHWBXSA-N 0 0 305.382 0.803 10 0 DCAERN CC(C)(CNC(=O)C[C@@H]1CCCCO1)N1CCS(=O)CC1 ZINC000333761992 252761067 /nfs/dbraw/zinc/76/10/67/252761067.db2.gz VYDANDWHKGRSDP-ZDUSSCGKSA-N 0 0 316.467 0.905 10 0 DCAERN CCCN1C[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1=O ZINC000333996369 252781958 /nfs/dbraw/zinc/78/19/58/252781958.db2.gz NZRANXSTMNKORI-QLFBSQMISA-N 0 0 323.437 0.567 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 ZINC000346880590 254108435 /nfs/dbraw/zinc/10/84/35/254108435.db2.gz DHNLOXJZTAIFNM-UHFFFAOYSA-N 0 0 320.349 0.701 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2CCCC2)[C@H](C)C1 ZINC000347386924 254153139 /nfs/dbraw/zinc/15/31/39/254153139.db2.gz NDFQESBERZQLHU-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000347634700 254173986 /nfs/dbraw/zinc/17/39/86/254173986.db2.gz IZIMXGPGFKGROU-STQMWFEESA-N 0 0 310.394 0.699 10 0 DCAERN C[C@@H](CNC(=O)COc1ccc(F)cc1F)S(N)(=O)=O ZINC000350621020 254319665 /nfs/dbraw/zinc/31/96/65/254319665.db2.gz PPHHGFQNBXJLQX-ZETCQYMHSA-N 0 0 308.306 0.137 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CSc2ccccc21)S(N)(=O)=O ZINC000350621825 254320336 /nfs/dbraw/zinc/32/03/36/254320336.db2.gz VOEHKHGBPZPCKA-WCBMZHEXSA-N 0 0 300.405 0.669 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](C)S(N)(=O)=O)c(C)c1 ZINC000350622193 254320452 /nfs/dbraw/zinc/32/04/52/254320452.db2.gz YMTAKOHESIRHRV-NSHDSACASA-N 0 0 300.380 0.475 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000189948231 285193373 /nfs/dbraw/zinc/19/33/73/285193373.db2.gz ZCOFNGNSMQENDU-UKRRQHHQSA-N 0 0 322.409 0.322 10 0 DCAERN CC(=O)c1ccccc1NC(=O)Cn1nnn(C2CC2)c1=O ZINC000351899863 254379423 /nfs/dbraw/zinc/37/94/23/254379423.db2.gz NQFLZXNSHVFATM-UHFFFAOYSA-N 0 0 301.306 0.616 10 0 DCAERN CC(=O)c1cc(NC(=O)NC[C@H](C)S(N)(=O)=O)ccc1F ZINC000352105448 254399701 /nfs/dbraw/zinc/39/97/01/254399701.db2.gz HJRVAFPUNCBYJL-ZETCQYMHSA-N 0 0 317.342 0.827 10 0 DCAERN COCC(=O)N1CC[C@H]2CN(CC(C)C)S(=O)(=O)[C@H]2CC1 ZINC000248225722 257106779 /nfs/dbraw/zinc/10/67/79/257106779.db2.gz JCUAHMUUKJUYRB-STQMWFEESA-N 0 0 318.439 0.541 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@@H]2S1(=O)=O ZINC000249685966 257107031 /nfs/dbraw/zinc/10/70/31/257107031.db2.gz GGHRLEYHMRTMRE-XQQFMLRXSA-N 0 0 316.423 0.438 10 0 DCAERN Cc1nnc(N2CC[C@@H]3C[C@H](C(=O)N4CCCO4)O[C@H]3C2)s1 ZINC000248024438 257111035 /nfs/dbraw/zinc/11/10/35/257111035.db2.gz NHSKIHSBJCHMOU-UTUOFQBUSA-N 0 0 324.406 0.994 10 0 DCAERN Cc1nnc(N2Cc3ncn(C)c3[C@@H](C(=O)NC3CC3)C2)s1 ZINC000248016482 257112170 /nfs/dbraw/zinc/11/21/70/257112170.db2.gz GLXGEQDYKHSZEJ-JTQLQIEISA-N 0 0 318.406 0.962 10 0 DCAERN CC(=O)N1CCO[C@H]2CN(C(=O)c3ccccn3)CC[C@H]2C1 ZINC000247960417 257113245 /nfs/dbraw/zinc/11/32/45/257113245.db2.gz VDKNGZWMBLNRMW-ZFWWWQNUSA-N 0 0 303.362 0.791 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2N1C(C)=O ZINC000247921929 257114607 /nfs/dbraw/zinc/11/46/07/257114607.db2.gz HNOFKOKXXVJUQM-RWMBFGLXSA-N 0 0 321.402 0.556 10 0 DCAERN O=C(c1csnn1)N1CC[C@@H]2[C@H]1CC(=O)N2c1cncnc1 ZINC000247805479 257117984 /nfs/dbraw/zinc/11/79/84/257117984.db2.gz AUNWKDIICPVAPM-GHMZBOCLSA-N 0 0 316.346 0.348 10 0 DCAERN Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CC3(C)C)C2)c1=O ZINC000275533278 130329741 /nfs/dbraw/zinc/32/97/41/130329741.db2.gz DWVPZEQCENQICI-NWDGAFQWSA-N 0 0 304.394 0.911 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCC2)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000181411577 296469371 /nfs/dbraw/zinc/46/93/71/296469371.db2.gz CNNADULIOHHPBI-STQMWFEESA-N 0 0 316.400 0.107 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cn3ccsc3n2)CC(=O)N1C ZINC000282184497 130905282 /nfs/dbraw/zinc/90/52/82/130905282.db2.gz LZDRSQAFXUQZSB-VIFPVBQESA-N 0 0 307.379 0.768 10 0 DCAERN CCCc1cc(=O)n2nc(N3CC(=O)N(C)[C@@H](C)C3)sc2n1 ZINC000283634933 131009195 /nfs/dbraw/zinc/00/91/95/131009195.db2.gz WAQYYXHLAYXOAD-VIFPVBQESA-N 0 0 321.406 0.770 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)ccn1 ZINC000283954514 131036408 /nfs/dbraw/zinc/03/64/08/131036408.db2.gz KHFWWYPAXKAWDT-ZIAGYGMSSA-N 0 0 320.393 0.705 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284167695 131055393 /nfs/dbraw/zinc/05/53/93/131055393.db2.gz RJCVDRUYYSTJCF-YNEHKIRRSA-N 0 0 321.377 0.329 10 0 DCAERN COC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CC(C)(C)O1 ZINC000284493449 131086608 /nfs/dbraw/zinc/08/66/08/131086608.db2.gz HQFCDEGSHYKPNZ-GFCCVEGCSA-N 0 0 310.398 0.793 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2cc(N3CCCCC3)ncn2)C1 ZINC000284634903 131098849 /nfs/dbraw/zinc/09/88/49/131098849.db2.gz NNCCFPTZCHQTPP-OAHLLOKOSA-N 0 0 305.382 0.284 10 0 DCAERN CCOc1cccc(CNC(=O)CN2C[C@H](OC)C[C@H]2CO)c1 ZINC000284730882 131107433 /nfs/dbraw/zinc/10/74/33/131107433.db2.gz WYWPROXQFIFJSV-GOEBONIOSA-N 0 0 322.405 0.783 10 0 DCAERN Cc1noc2ncc(C(=O)N[C@H]3COC[C@H]3n3ccnn3)cc12 ZINC000285089300 131136917 /nfs/dbraw/zinc/13/69/17/131136917.db2.gz LPWOBFRHJNNEHV-NWDGAFQWSA-N 0 0 314.305 0.493 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)C1=Cc2ccccc2OC1 ZINC000285315317 131157347 /nfs/dbraw/zinc/15/73/47/131157347.db2.gz UAUDPZWNWSPTOU-UONOGXRCSA-N 0 0 312.329 0.810 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285516321 131176979 /nfs/dbraw/zinc/17/69/79/131176979.db2.gz MZBKBBLRQMJBLK-WBMJQRKESA-N 0 0 306.362 0.431 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)C2 ZINC000285581410 131182947 /nfs/dbraw/zinc/18/29/47/131182947.db2.gz QKQPHKKBSHZQMZ-PBHICJAKSA-N 0 0 318.373 0.446 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(N)=O ZINC000292127335 131626329 /nfs/dbraw/zinc/62/63/29/131626329.db2.gz NOOBOXFSWNKIPC-SSDOTTSWSA-N 0 0 316.770 0.530 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000010753489 395686180 /nfs/dbraw/zinc/68/61/80/395686180.db2.gz KVNOBAQSWOLPSJ-SNVBAGLBSA-N 0 0 317.798 0.976 10 0 DCAERN CC(C)[C@@H]1NC(=O)[C@H]2CN(CCc3ccccc3)CCN2C1=O ZINC000014540366 395689606 /nfs/dbraw/zinc/68/96/06/395689606.db2.gz NZXXBQSVCMHTCC-CVEARBPZSA-N 0 0 315.417 0.896 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCC(=O)NC(C)C)c1ccccc1 ZINC000008166124 395684153 /nfs/dbraw/zinc/68/41/53/395684153.db2.gz NFTQTQTZFCFCPU-CQSZACIVSA-N 0 0 305.378 0.895 10 0 DCAERN O=C(CNC(=O)c1cc2c(s1)CCCC2)N1CC[C@H](O)C1 ZINC000085376995 395699940 /nfs/dbraw/zinc/69/99/40/395699940.db2.gz ZEJIVWNZOOCBOZ-NSHDSACASA-N 0 0 308.403 0.950 10 0 DCAERN Cc1cc(N)nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000029914093 395700423 /nfs/dbraw/zinc/70/04/23/395700423.db2.gz OJFCUHXAKNFHSH-VIFPVBQESA-N 0 0 309.395 0.183 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)c1coc(Br)c1 ZINC000029959367 395700924 /nfs/dbraw/zinc/70/09/24/395700924.db2.gz YXDUPIXXQXFEST-ZETCQYMHSA-N 0 0 308.153 0.959 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCC(=O)OC ZINC000087249852 395705931 /nfs/dbraw/zinc/70/59/31/395705931.db2.gz NRZYZBVAMIXJIX-SNVBAGLBSA-N 0 0 309.370 0.928 10 0 DCAERN O=C(CN1CSCC1=O)N1Cc2ccccc2NC(=O)C1 ZINC000087887574 395706779 /nfs/dbraw/zinc/70/67/79/395706779.db2.gz PRFFAWZEPZIHKO-UHFFFAOYSA-N 0 0 305.359 0.500 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H]1CCC[C@H]1O ZINC000089169497 395708942 /nfs/dbraw/zinc/70/89/42/395708942.db2.gz UJQNCFJYMITNIK-WCBMZHEXSA-N 0 0 317.367 0.026 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000089485263 395712487 /nfs/dbraw/zinc/71/24/87/395712487.db2.gz ZHEREPINTSJCFL-HIFRSBDPSA-N 0 0 321.352 0.709 10 0 DCAERN COC(=O)Cn1cc(CCn2cnc(C3CCC3)cc2=O)nn1 ZINC000089702653 395714359 /nfs/dbraw/zinc/71/43/59/395714359.db2.gz BTUDQICGWVMJSW-UHFFFAOYSA-N 0 0 317.349 0.518 10 0 DCAERN CCn1ccnc(N2CCN(Cc3nccn3C)CC2)c1=O ZINC000091010618 395720417 /nfs/dbraw/zinc/72/04/17/395720417.db2.gz PVFPUIRZLUUEKP-UHFFFAOYSA-N 0 0 302.382 0.319 10 0 DCAERN CC[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000027153149 395694783 /nfs/dbraw/zinc/69/47/83/395694783.db2.gz VACPSAROSNAGPC-LLVKDONJSA-N 0 0 303.366 0.779 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000027565968 395695225 /nfs/dbraw/zinc/69/52/25/395695225.db2.gz CQCFMKQZPGUFBG-OAHLLOKOSA-N 0 0 319.405 0.864 10 0 DCAERN CCCNC(=O)CNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000027607609 395695264 /nfs/dbraw/zinc/69/52/64/395695264.db2.gz TWPVIKSOIVOMES-GFCCVEGCSA-N 0 0 305.382 0.335 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CCO1 ZINC000028036367 395695667 /nfs/dbraw/zinc/69/56/67/395695667.db2.gz CUUWKXZFZZDDAU-LBPRGKRZSA-N 0 0 312.391 0.846 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000028083429 395695787 /nfs/dbraw/zinc/69/57/87/395695787.db2.gz ORVWQAOENQQZIZ-MNOVXSKESA-N 0 0 310.441 0.130 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)NCc1nnc2n1CCCC2 ZINC000041142686 395735924 /nfs/dbraw/zinc/73/59/24/395735924.db2.gz ZZOVYNMBOYBZTN-UHFFFAOYSA-N 0 0 302.382 0.824 10 0 DCAERN O=C(CCn1cccn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000042721967 395747647 /nfs/dbraw/zinc/74/76/47/395747647.db2.gz LKQVEFKHJXPMQY-CQSZACIVSA-N 0 0 320.393 0.371 10 0 DCAERN CNC(=O)c1ccccc1OCc1nc(N)nc(N(C)C)n1 ZINC000042120564 395743080 /nfs/dbraw/zinc/74/30/80/395743080.db2.gz HGNWSNNKFZUDFJ-UHFFFAOYSA-N 0 0 302.338 0.458 10 0 DCAERN COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096439003 395753310 /nfs/dbraw/zinc/75/33/10/395753310.db2.gz LSYXCGSWHIIDSQ-DAXSKMNVSA-N 0 0 311.359 0.894 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCOC2)cc1 ZINC000096537572 395754823 /nfs/dbraw/zinc/75/48/23/395754823.db2.gz AGMJKOLUCRVBHA-GFCCVEGCSA-N 0 0 313.375 0.812 10 0 DCAERN CCc1nc(CC(=O)NC[C@@H](O)CN2CCOCC2)cs1 ZINC000097374805 395757330 /nfs/dbraw/zinc/75/73/30/395757330.db2.gz YXNJZIDWQOKIPY-GFCCVEGCSA-N 0 0 313.423 0.057 10 0 DCAERN CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000042814568 395749138 /nfs/dbraw/zinc/74/91/38/395749138.db2.gz QMNLPMCPNACNAJ-VIFPVBQESA-N 0 0 318.358 0.853 10 0 DCAERN O=C(CNC(=O)NCCCN1CCCC1=O)N1CCCCC1 ZINC000042877695 395749793 /nfs/dbraw/zinc/74/97/93/395749793.db2.gz BAIKCMMIHUGUKR-UHFFFAOYSA-N 0 0 310.398 0.311 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCN[C@@H](c2ccncc2)C1 ZINC000407967756 304315267 /nfs/dbraw/zinc/31/52/67/304315267.db2.gz RGOKWPHVXDZJNU-UONOGXRCSA-N 0 0 302.378 0.613 10 0 DCAERN CC(=O)N1CCN(C(=O)COCc2cc(C)no2)C(C)(C)C1 ZINC000193849686 395780455 /nfs/dbraw/zinc/78/04/55/395780455.db2.gz STUFEVKSSHXPMA-UHFFFAOYSA-N 0 0 309.366 0.969 10 0 DCAERN COC(=O)CC1(NC(=O)Cn2nnnc2C(C)C)CCCC1 ZINC000193911942 395782014 /nfs/dbraw/zinc/78/20/14/395782014.db2.gz NVKKCJCGRJKMQZ-UHFFFAOYSA-N 0 0 309.370 0.789 10 0 DCAERN C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)CCC1=O ZINC000193939493 395782585 /nfs/dbraw/zinc/78/25/85/395782585.db2.gz HRDOKUYVBXQXEJ-LLVKDONJSA-N 0 0 304.346 0.992 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(Cl)n1 ZINC000193994896 395784340 /nfs/dbraw/zinc/78/43/40/395784340.db2.gz BVRVUDBBRZUYOS-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(CCO)CC2)c1 ZINC000106929285 395784565 /nfs/dbraw/zinc/78/45/65/395784565.db2.gz AMPCCNROTIMMLL-HZPDHXFCSA-N 0 0 304.390 0.935 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)n2)CC1 ZINC000194120298 395788547 /nfs/dbraw/zinc/78/85/47/395788547.db2.gz TYTRUJWVUPHATQ-ZDUSSCGKSA-N 0 0 320.393 0.244 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000045897725 395768373 /nfs/dbraw/zinc/76/83/73/395768373.db2.gz FAXWIWCKGLHLGC-AWEZNQCLSA-N 0 0 313.361 0.894 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000194637383 395803272 /nfs/dbraw/zinc/80/32/72/395803272.db2.gz HGZQNWBGESJDMD-GXTWGEPZSA-N 0 0 320.393 0.643 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000111345707 395807320 /nfs/dbraw/zinc/80/73/20/395807320.db2.gz JUAZXQVOXGVZRY-CQSZACIVSA-N 0 0 319.471 0.617 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1cccc2nsnc21 ZINC000194802840 395808789 /nfs/dbraw/zinc/80/87/89/395808789.db2.gz IZIGPQSLPHCIKI-UHFFFAOYSA-N 0 0 324.391 0.651 10 0 DCAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1CNC(=O)C1)C2 ZINC000194876359 395810540 /nfs/dbraw/zinc/81/05/40/395810540.db2.gz GYKVTMXPRDTHKM-GFCCVEGCSA-N 0 0 301.346 0.666 10 0 DCAERN COc1ccc(CNC(=O)CN2CCCN(C(N)=O)CC2)cc1 ZINC000111688605 395812167 /nfs/dbraw/zinc/81/21/67/395812167.db2.gz FEWKBDDFXOOLST-UHFFFAOYSA-N 0 0 320.393 0.398 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1CCN(c2cccnn2)CC1 ZINC000195050637 395814250 /nfs/dbraw/zinc/81/42/50/395814250.db2.gz MHIOTMZIJPRVJB-UHFFFAOYSA-N 0 0 305.382 0.288 10 0 DCAERN CCn1c(C)nnc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195049592 395814287 /nfs/dbraw/zinc/81/42/87/395814287.db2.gz WXRWQXKHLBTELE-AWEZNQCLSA-N 0 0 321.425 0.677 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@@]12CCOC2 ZINC000195187328 395819953 /nfs/dbraw/zinc/81/99/53/395819953.db2.gz BXSDJQWUTITGRY-KRWDZBQOSA-N 0 0 318.373 0.743 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112647922 395820334 /nfs/dbraw/zinc/82/03/34/395820334.db2.gz GQIKOXRFSFRTJN-CYBMUJFWSA-N 0 0 314.345 0.991 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000195207092 395820770 /nfs/dbraw/zinc/82/07/70/395820770.db2.gz ZLNRYOIRJJHWGG-SMDDNHRTSA-N 0 0 318.377 0.601 10 0 DCAERN CNC(=O)N1CCN(C(=O)c2sc3nccn3c2C)CC1 ZINC000270931517 395824086 /nfs/dbraw/zinc/82/40/86/395824086.db2.gz UGPOPGQCAMNZSJ-UHFFFAOYSA-N 0 0 307.379 0.801 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CCc2cccs2)CCS1(=O)=O ZINC000195378950 395826225 /nfs/dbraw/zinc/82/62/25/395826225.db2.gz CHXPDWXEZVZBLI-SNVBAGLBSA-N 0 0 323.461 0.739 10 0 DCAERN C[C@@H](CNC(=O)COc1cccc(C=O)c1)N1CCOCC1 ZINC000113147280 395828013 /nfs/dbraw/zinc/82/80/13/395828013.db2.gz PTCDJNWWVTWBCZ-ZDUSSCGKSA-N 0 0 306.362 0.715 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(c2ccnn2C)CC1 ZINC000195502192 395829578 /nfs/dbraw/zinc/82/95/78/395829578.db2.gz BBBSCKBAUDQXCI-LLVKDONJSA-N 0 0 319.409 0.976 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000113389320 395830055 /nfs/dbraw/zinc/83/00/55/395830055.db2.gz SZJRCNGZJGFYBN-CQSZACIVSA-N 0 0 320.393 0.645 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000118115214 395859669 /nfs/dbraw/zinc/85/96/69/395859669.db2.gz NFYQETMUSPLNHG-HNNXBMFYSA-N 0 0 317.389 0.561 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC000114296685 395833220 /nfs/dbraw/zinc/83/32/20/395833220.db2.gz PZMFRJHDXZQDSD-JTQLQIEISA-N 0 0 310.375 0.815 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1C ZINC000118115543 395860270 /nfs/dbraw/zinc/86/02/70/395860270.db2.gz OUWLIKVRWZNCFR-CYBMUJFWSA-N 0 0 305.378 0.689 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000115382648 395839160 /nfs/dbraw/zinc/83/91/60/395839160.db2.gz XCLBAOQCIRWRBX-LLVKDONJSA-N 0 0 321.406 0.639 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000118115548 395860314 /nfs/dbraw/zinc/86/03/14/395860314.db2.gz BJJNBBVRUXRMPF-CQSZACIVSA-N 0 0 320.393 0.138 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000271178631 395844513 /nfs/dbraw/zinc/84/45/13/395844513.db2.gz LSINZULGSLDIER-SSDOTTSWSA-N 0 0 310.301 0.623 10 0 DCAERN Cc1ccc(F)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116829924 395846545 /nfs/dbraw/zinc/84/65/45/395846545.db2.gz UQPSGAGVTPQSJM-JTQLQIEISA-N 0 0 300.355 0.898 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1C ZINC000118115546 395860738 /nfs/dbraw/zinc/86/07/38/395860738.db2.gz OUWLIKVRWZNCFR-ZDUSSCGKSA-N 0 0 305.378 0.689 10 0 DCAERN NS(=O)(=O)c1ccc(OC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000116885461 395847720 /nfs/dbraw/zinc/84/77/20/395847720.db2.gz BFHYPCSJXSFJJF-MRVPVSSYSA-N 0 0 306.771 0.355 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890316 395848857 /nfs/dbraw/zinc/84/88/57/395848857.db2.gz KNHOECWSGOSFKO-SKDRFNHKSA-N 0 0 320.361 0.622 10 0 DCAERN Cn1nncc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000225477181 395860873 /nfs/dbraw/zinc/86/08/73/395860873.db2.gz KVPXMVGGXGFJPA-GJZGRUSLSA-N 0 0 315.377 0.617 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000221056213 395849723 /nfs/dbraw/zinc/84/97/23/395849723.db2.gz FEDLJUWRIVVWDF-MNOVXSKESA-N 0 0 308.400 0.083 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)n1 ZINC000117026523 395850560 /nfs/dbraw/zinc/85/05/60/395850560.db2.gz YTPARGLIUNYXCK-CYBMUJFWSA-N 0 0 322.413 0.405 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117024934 395850615 /nfs/dbraw/zinc/85/06/15/395850615.db2.gz MMQDUBGWYJTBGQ-AWEZNQCLSA-N 0 0 322.413 0.453 10 0 DCAERN Cc1ccc(OCCN(C)CC(=O)N[C@H](C)C(=O)N(C)C)cc1 ZINC000051500612 395850836 /nfs/dbraw/zinc/85/08/36/395850836.db2.gz BWQFDIQCUGIRPL-CQSZACIVSA-N 0 0 321.421 0.899 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1C ZINC000117285314 395850906 /nfs/dbraw/zinc/85/09/06/395850906.db2.gz DRLDQCGZWGAXSA-AWEZNQCLSA-N 0 0 319.405 0.596 10 0 DCAERN COCCN1CCN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1C ZINC000117285941 395851141 /nfs/dbraw/zinc/85/11/41/395851141.db2.gz CXLZBMHPBRLLOF-CYBMUJFWSA-N 0 0 306.410 0.940 10 0 DCAERN O=C(c1ccc(=O)[nH]n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000221955537 395851297 /nfs/dbraw/zinc/85/12/97/395851297.db2.gz GJHZAVXOFMSYOU-QWRGUYRKSA-N 0 0 309.391 0.897 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000117522783 395852952 /nfs/dbraw/zinc/85/29/52/395852952.db2.gz ZMHVPKLKQVFNHT-GFCCVEGCSA-N 0 0 323.368 0.943 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2cccn2)C[C@H]1C ZINC000117475597 395853052 /nfs/dbraw/zinc/85/30/52/395853052.db2.gz KDCRBQFCZHJXSS-CQSZACIVSA-N 0 0 309.414 0.635 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000117799930 395854431 /nfs/dbraw/zinc/85/44/31/395854431.db2.gz JRHKOIVQBMEPKA-ZFWWWQNUSA-N 0 0 316.361 0.973 10 0 DCAERN Cc1cnn(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000117817942 395854902 /nfs/dbraw/zinc/85/49/02/395854902.db2.gz ZDXYNVHTSWXRRH-UHFFFAOYSA-N 0 0 312.329 0.604 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)Cc2cccc(F)c2)c1 ZINC000117811910 395855386 /nfs/dbraw/zinc/85/53/86/395855386.db2.gz JUWZQKKINCDQKH-UHFFFAOYSA-N 0 0 318.352 0.806 10 0 DCAERN CC[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cccc(OC)c1 ZINC000117919782 395856047 /nfs/dbraw/zinc/85/60/47/395856047.db2.gz VWHQAKPRHVZXOP-ZDUSSCGKSA-N 0 0 312.391 0.735 10 0 DCAERN CS(=O)(=O)NCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000225515549 395861356 /nfs/dbraw/zinc/86/13/56/395861356.db2.gz MNBUYJAAKXPWJJ-OLZOCXBDSA-N 0 0 302.371 0.483 10 0 DCAERN Cn1nnnc1SCCNC(=O)c1noc2c1CCCC2 ZINC000223878421 395857510 /nfs/dbraw/zinc/85/75/10/395857510.db2.gz KTAXFYNZRUEFCC-UHFFFAOYSA-N 0 0 308.367 0.599 10 0 DCAERN Cc1cnn(C[C@H]2CN(c3cn[nH]c(=O)c3Cl)CCO2)c1 ZINC000108950042 395795305 /nfs/dbraw/zinc/79/53/05/395795305.db2.gz ITLXMBQPPWDDSL-SNVBAGLBSA-N 0 0 309.757 0.834 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000109036032 395796090 /nfs/dbraw/zinc/79/60/90/395796090.db2.gz CTTOJHPJRVDBIO-KWQFWETISA-N 0 0 302.334 0.893 10 0 DCAERN CCNC(=O)CN(CC(=O)NCC)Cc1cccc(OC)c1 ZINC000047613675 395796811 /nfs/dbraw/zinc/79/68/11/395796811.db2.gz SNPYUTHAOHPKOH-UHFFFAOYSA-N 0 0 307.394 0.769 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@H](c2nc(C)cs2)C1 ZINC000109326891 395797129 /nfs/dbraw/zinc/79/71/29/395797129.db2.gz QUUFCFPXGHRWKO-NSHDSACASA-N 0 0 319.452 0.764 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccc(F)cc2)CCS1(=O)=O ZINC000122482605 395887121 /nfs/dbraw/zinc/88/71/21/395887121.db2.gz YCOHYWDDWINXMF-JTQLQIEISA-N 0 0 301.339 0.850 10 0 DCAERN CCN(CC(C)(C)O)S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)OC ZINC000233458480 395887731 /nfs/dbraw/zinc/88/77/31/395887731.db2.gz TURPIYWXKUFKLK-WDEREUQCSA-N 0 0 307.412 0.751 10 0 DCAERN O=C(NC(CO)CO)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000122606805 395887924 /nfs/dbraw/zinc/88/79/24/395887924.db2.gz JOAYXYIIRJHDRD-NSHDSACASA-N 0 0 306.284 0.812 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000053757052 395888300 /nfs/dbraw/zinc/88/83/00/395888300.db2.gz UXZAEBRXIQUKHF-UHFFFAOYSA-N 0 0 311.426 0.866 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ccccc2OC)cn1 ZINC000056342631 395929276 /nfs/dbraw/zinc/92/92/76/395929276.db2.gz BBCMUJRRMFQTDR-UHFFFAOYSA-N 0 0 317.349 0.959 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000123301833 395893727 /nfs/dbraw/zinc/89/37/27/395893727.db2.gz GZXHEZSQFARYBK-YPMHNXCESA-N 0 0 305.382 0.431 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2cccn2)CCS1(=O)=O ZINC000123668027 395896034 /nfs/dbraw/zinc/89/60/34/395896034.db2.gz PKIVTCWSTBIIGO-LLVKDONJSA-N 0 0 300.384 0.102 10 0 DCAERN CCCCCNC(=O)C1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000236746949 395897935 /nfs/dbraw/zinc/89/79/35/395897935.db2.gz QAUJJKCWVNUOOE-AWEZNQCLSA-N 0 0 311.426 0.520 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2nc(C3CC3)cs2)C1=O ZINC000124503059 395900389 /nfs/dbraw/zinc/90/03/89/395900389.db2.gz NSCRIYARKYYCOE-UHFFFAOYSA-N 0 0 322.390 0.967 10 0 DCAERN Cc1c(S(=O)(=O)N2CC(CO)C2)cnn1-c1ccccn1 ZINC000273162710 395904450 /nfs/dbraw/zinc/90/44/50/395904450.db2.gz ANSPJQMKMMGNRA-UHFFFAOYSA-N 0 0 308.363 0.189 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000126401951 395912532 /nfs/dbraw/zinc/91/25/32/395912532.db2.gz SRUQBLIMOYXRRB-SNVBAGLBSA-N 0 0 312.757 0.120 10 0 DCAERN NS(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000127770715 395916441 /nfs/dbraw/zinc/91/64/41/395916441.db2.gz ZYKWKORANREPKP-UHFFFAOYSA-N 0 0 324.328 0.862 10 0 DCAERN COc1cccc(CNC(=O)NCCCN2CCOCC2)n1 ZINC000129409414 395919825 /nfs/dbraw/zinc/91/98/25/395919825.db2.gz SZJYLJZTGQEHAY-UHFFFAOYSA-N 0 0 308.382 0.612 10 0 DCAERN O=C(CCN1CCc2ccccc2C1)N[C@H]1CCS(=O)(=O)C1 ZINC000243199122 395923920 /nfs/dbraw/zinc/92/39/20/395923920.db2.gz KDXWVDXLFRELBO-HNNXBMFYSA-N 0 0 322.430 0.738 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000227249627 395868624 /nfs/dbraw/zinc/86/86/24/395868624.db2.gz KGOWVMHJSPBFBM-QWRGUYRKSA-N 0 0 303.380 0.115 10 0 DCAERN O=C(CCOCc1ccccc1)NC[C@@H](O)CN1CCOCC1 ZINC000119574346 395872506 /nfs/dbraw/zinc/87/25/06/395872506.db2.gz HSVDXPNJEKNIIX-MRXNPFEDSA-N 0 0 322.405 0.403 10 0 DCAERN Cc1noc(CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000119636063 395873189 /nfs/dbraw/zinc/87/31/89/395873189.db2.gz IPYDYLVHONAVLR-QMMMGPOBSA-N 0 0 320.271 0.448 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CNC(=O)C(C)(C)C)n[nH]1 ZINC000119677732 395873784 /nfs/dbraw/zinc/87/37/84/395873784.db2.gz FUFPALCIGFWFDW-UHFFFAOYSA-N 0 0 304.354 0.911 10 0 DCAERN Cc1noc(CCNC(=O)c2cn(Cc3ccccc3)nn2)n1 ZINC000119660605 395874343 /nfs/dbraw/zinc/87/43/43/395874343.db2.gz XSNSKXZJVZPFBF-UHFFFAOYSA-N 0 0 312.333 0.990 10 0 DCAERN CCCn1nccc1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000120864196 395882763 /nfs/dbraw/zinc/88/27/63/395882763.db2.gz LWTJLGXERYFUIC-SNVBAGLBSA-N 0 0 300.384 0.944 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@H](O)CC3)C2)cn1 ZINC000245532253 395931591 /nfs/dbraw/zinc/93/15/91/395931591.db2.gz HFIUUAAPBMEIDX-YDHLFZDLSA-N 0 0 321.425 0.992 10 0 DCAERN CCC1(CO)CCN(C(=O)CNC(=O)c2cccnc2)CC1 ZINC000134589896 395932659 /nfs/dbraw/zinc/93/26/59/395932659.db2.gz HKSVGKITTPUJJO-UHFFFAOYSA-N 0 0 305.378 0.823 10 0 DCAERN CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000245686901 395933888 /nfs/dbraw/zinc/93/38/88/395933888.db2.gz PSRAHBKMDDGOCM-ZDUSSCGKSA-N 0 0 321.425 0.646 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000056863667 395934485 /nfs/dbraw/zinc/93/44/85/395934485.db2.gz BTJZYNVAAXEKKZ-QWHCGFSZSA-N 0 0 314.430 0.311 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)CCC1=O ZINC000135414276 395939441 /nfs/dbraw/zinc/93/94/41/395939441.db2.gz FCPPOBUGVOZAJJ-CYBMUJFWSA-N 0 0 315.373 0.946 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000135355799 395939770 /nfs/dbraw/zinc/93/97/70/395939770.db2.gz RRTRSBGRPAVKIM-UHFFFAOYSA-N 0 0 308.382 0.231 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CCCc3n[nH]cc32)O1 ZINC000246078875 395941145 /nfs/dbraw/zinc/94/11/45/395941145.db2.gz UPYQVEGPGDTMDF-MJVIPROJSA-N 0 0 320.393 0.582 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000057290386 395941973 /nfs/dbraw/zinc/94/19/73/395941973.db2.gz BKBZPPUFQIYUPS-LBPRGKRZSA-N 0 0 303.318 0.967 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CNC(=O)C(C)(C)C ZINC000248864755 395999245 /nfs/dbraw/zinc/99/92/45/395999245.db2.gz SRZZIWQLKQRFKN-LOWVWBTDSA-N 0 0 310.394 0.949 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000136099108 395944521 /nfs/dbraw/zinc/94/45/21/395944521.db2.gz YLZXXTVMTVPVMC-ZJUUUORDSA-N 0 0 318.370 0.380 10 0 DCAERN C[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000136099138 395944613 /nfs/dbraw/zinc/94/46/13/395944613.db2.gz YLZXXTVMTVPVMC-UWVGGRQHSA-N 0 0 318.370 0.380 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)CC2)cc1C ZINC000057888320 395949538 /nfs/dbraw/zinc/94/95/38/395949538.db2.gz KUCGQLXWGUEGJD-UHFFFAOYSA-N 0 0 324.402 0.290 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)C3CC(=O)C3)CC2)cn1 ZINC000136956403 395949565 /nfs/dbraw/zinc/94/95/65/395949565.db2.gz HAOPGACNPRDCKG-UHFFFAOYSA-N 0 0 304.394 0.916 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000246413440 395949580 /nfs/dbraw/zinc/94/95/80/395949580.db2.gz VAQRYNJPMJGFRK-HHHGZCDHSA-N 0 0 312.410 0.983 10 0 DCAERN COC(=O)[C@@]1(C)CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000246599749 395953292 /nfs/dbraw/zinc/95/32/92/395953292.db2.gz UHTLPDCNEGCBRB-YPMHNXCESA-N 0 0 304.412 0.848 10 0 DCAERN OCc1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1 ZINC000139092373 395953464 /nfs/dbraw/zinc/95/34/64/395953464.db2.gz BJJMFPKUZYCPJJ-UHFFFAOYSA-N 0 0 312.333 0.539 10 0 DCAERN Cn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@]4(CCOC4)C3)cc21 ZINC000274520963 395954871 /nfs/dbraw/zinc/95/48/71/395954871.db2.gz YFWPDWKJORVHGW-MRXNPFEDSA-N 0 0 317.345 0.498 10 0 DCAERN CN1C[C@H](Nc2cc(N3CCC[C@H]3CO)ncn2)CCC1=O ZINC000246655949 395955396 /nfs/dbraw/zinc/95/53/96/395955396.db2.gz JVOWMROIVWBRLH-NEPJUHHUSA-N 0 0 305.382 0.470 10 0 DCAERN O=C(NCCN1CCCS1(=O)=O)c1csc(Cl)n1 ZINC000274527624 395955582 /nfs/dbraw/zinc/95/55/82/395955582.db2.gz TWTJKBRVGQQVBO-UHFFFAOYSA-N 0 0 309.800 0.562 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)C1 ZINC000246886291 395960295 /nfs/dbraw/zinc/96/02/95/395960295.db2.gz DPVAQUHJLIMWPW-CABCVRRESA-N 0 0 306.362 0.623 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@H]1CO ZINC000248912549 396000310 /nfs/dbraw/zinc/00/03/10/396000310.db2.gz JGACHXRPOJAFKG-HZMBPMFUSA-N 0 0 324.402 0.364 10 0 DCAERN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246938293 395962199 /nfs/dbraw/zinc/96/21/99/395962199.db2.gz ISSYTUJAIYGFTK-WDEREUQCSA-N 0 0 316.413 0.804 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000247062971 395965815 /nfs/dbraw/zinc/96/58/15/395965815.db2.gz VKKQWUZYTVZYSB-SCVCMEIPSA-N 0 0 310.300 0.781 10 0 DCAERN COCCN1CCN(C(=O)CCOC[C@H]2CCCO2)C[C@H]1C ZINC000247125673 395967107 /nfs/dbraw/zinc/96/71/07/395967107.db2.gz OGGRJVSMRHHJON-HUUCEWRRSA-N 0 0 314.426 0.751 10 0 DCAERN COCCN1CCN(C(=O)CCOC[C@H]2CCCO2)C[C@@H]1C ZINC000247125682 395967173 /nfs/dbraw/zinc/96/71/73/395967173.db2.gz OGGRJVSMRHHJON-LSDHHAIUSA-N 0 0 314.426 0.751 10 0 DCAERN CN(CC(=O)N[C@@H]1CCC(=O)N(C)C1)C(=O)c1cccs1 ZINC000150731990 395971992 /nfs/dbraw/zinc/97/19/92/395971992.db2.gz JBJMWIVEBSDCHX-SNVBAGLBSA-N 0 0 309.391 0.557 10 0 DCAERN COCCN1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247376059 395972846 /nfs/dbraw/zinc/97/28/46/395972846.db2.gz VHFCHADJJKAJGP-KKUMJFAQSA-N 0 0 313.442 0.275 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CC1(C)OCCO1 ZINC000150890317 395975169 /nfs/dbraw/zinc/97/51/69/395975169.db2.gz QJFZZAOSFJAUBC-NWDGAFQWSA-N 0 0 323.397 0.681 10 0 DCAERN CN1CC[C@@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)C1=O ZINC000150925863 395975742 /nfs/dbraw/zinc/97/57/42/395975742.db2.gz DGTIERDOWDDCEO-NWDGAFQWSA-N 0 0 305.382 0.328 10 0 DCAERN Cn1cc([C@H]2CCN([C@H]3CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000247587380 395976494 /nfs/dbraw/zinc/97/64/94/395976494.db2.gz ZUXSGVLSHMULMM-WFASDCNBSA-N 0 0 314.393 0.748 10 0 DCAERN CSC[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000151102784 395978300 /nfs/dbraw/zinc/97/83/00/395978300.db2.gz FIXFGLDSVVGEJN-SMDDNHRTSA-N 0 0 302.440 0.864 10 0 DCAERN NC(=O)[C@H](c1ccc(F)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000247755708 395978820 /nfs/dbraw/zinc/97/88/20/395978820.db2.gz VZTIDZHMIXYFMF-KGLIPLIRSA-N 0 0 319.340 0.345 10 0 DCAERN COc1cccc([C@H]2CN([C@H]3CC(=O)N(C)C3=O)CCO2)c1 ZINC000248045831 395982773 /nfs/dbraw/zinc/98/27/73/395982773.db2.gz VBDRIUNUTSZNDY-UONOGXRCSA-N 0 0 304.346 0.826 10 0 DCAERN C[C@@H](N[C@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC(N)=O ZINC000151244148 395983068 /nfs/dbraw/zinc/98/30/68/395983068.db2.gz XSKKVGKTURPBTE-NXEZZACHSA-N 0 0 302.338 0.501 10 0 DCAERN CCOC(=O)[C@@H](CC(C)C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248442503 395987837 /nfs/dbraw/zinc/98/78/37/395987837.db2.gz VLLWAAJVPDISSX-VXGBXAGGSA-N 0 0 306.428 0.588 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000151619789 395989002 /nfs/dbraw/zinc/98/90/02/395989002.db2.gz BUOYYQSVCFRSGZ-CHWSQXEVSA-N 0 0 312.410 0.681 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC000276378775 395990961 /nfs/dbraw/zinc/99/09/61/395990961.db2.gz LGQKZUDUPVBILP-AUTRQRHGSA-N 0 0 306.318 0.792 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)[C@H](CO)SC ZINC000248621803 395991536 /nfs/dbraw/zinc/99/15/36/395991536.db2.gz AVPCEJLWGKVMIX-UPJWGTAASA-N 0 0 304.456 0.716 10 0 DCAERN CCn1cc([C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690831 395994734 /nfs/dbraw/zinc/99/47/34/395994734.db2.gz ACTKTVDBOLTYIL-HUUCEWRRSA-N 0 0 305.382 0.534 10 0 DCAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000248734889 395996378 /nfs/dbraw/zinc/99/63/78/395996378.db2.gz MSEVHNSDVFIFMA-JQWIXIFHSA-N 0 0 306.341 0.854 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248822148 395997827 /nfs/dbraw/zinc/99/78/27/395997827.db2.gz JMKAASVTHNFTBA-SRVKXCTJSA-N 0 0 304.412 0.199 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)[C@]2(O)CCSC2)CCN1C ZINC000276716603 396023271 /nfs/dbraw/zinc/02/32/71/396023271.db2.gz PYICSSYRTBAISW-FZMZJTMJSA-N 0 0 310.423 0.103 10 0 DCAERN CC(C)N(C)C(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230334 396023636 /nfs/dbraw/zinc/02/36/36/396023636.db2.gz AFCCCDSZNABWGT-CQSZACIVSA-N 0 0 311.426 0.567 10 0 DCAERN CCc1cccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000253149645 396025672 /nfs/dbraw/zinc/02/56/72/396025672.db2.gz DSENEQRTKAEFNQ-ZDUSSCGKSA-N 0 0 312.435 0.936 10 0 DCAERN Cc1noc(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n1 ZINC000154026889 396029182 /nfs/dbraw/zinc/02/91/82/396029182.db2.gz VMZKSGFUBWTGDQ-GFCCVEGCSA-N 0 0 318.381 0.829 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000067617663 396029261 /nfs/dbraw/zinc/02/92/61/396029261.db2.gz QOSVCUQUWVCHBA-GFCCVEGCSA-N 0 0 308.382 0.454 10 0 DCAERN Cc1cccc(O[C@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154136278 396032300 /nfs/dbraw/zinc/03/23/00/396032300.db2.gz FKSDIBUTTOSSHB-HUUCEWRRSA-N 0 0 322.405 0.572 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2cccs2)C1 ZINC000154151222 396033121 /nfs/dbraw/zinc/03/31/21/396033121.db2.gz UCMZYYDDJBHACP-BXUZGUMPSA-N 0 0 313.423 0.585 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCCc1nc(C)no1 ZINC000154333247 396036669 /nfs/dbraw/zinc/03/66/69/396036669.db2.gz RDOVWEXOHHTPHE-UHFFFAOYSA-N 0 0 318.333 0.475 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000154489756 396038435 /nfs/dbraw/zinc/03/84/35/396038435.db2.gz FXFDLDDXHYLEMP-AWEZNQCLSA-N 0 0 305.378 0.892 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261601780 396047979 /nfs/dbraw/zinc/04/79/79/396047979.db2.gz AJFCYNMIVLCXGN-GFCCVEGCSA-N 0 0 307.379 0.150 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000155298444 396049524 /nfs/dbraw/zinc/04/95/24/396049524.db2.gz YEBXBVRSUOYEGQ-VGMNWLOBSA-N 0 0 302.377 0.445 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155450080 396051778 /nfs/dbraw/zinc/05/17/78/396051778.db2.gz AZSRPZXUZILUIT-NSHDSACASA-N 0 0 322.413 0.542 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCNC[C@H]2c2cccnc2)on1 ZINC000261663078 396053990 /nfs/dbraw/zinc/05/39/90/396053990.db2.gz IKBWIPZQJKMIRS-AWEZNQCLSA-N 0 0 322.390 0.854 10 0 DCAERN CN(Cc1noc(CN)n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000261736562 396060638 /nfs/dbraw/zinc/06/06/38/396060638.db2.gz MHJHGONUDFGWQQ-LBPRGKRZSA-N 0 0 319.340 0.905 10 0 DCAERN CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261793026 396066451 /nfs/dbraw/zinc/06/64/51/396066451.db2.gz NSOJMVUVFIRCRG-HNNXBMFYSA-N 0 0 323.368 0.977 10 0 DCAERN Cc1cc(C)n(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000068974145 396067368 /nfs/dbraw/zinc/06/73/68/396067368.db2.gz YYFHSQXWHARJPH-UHFFFAOYSA-N 0 0 311.349 0.996 10 0 DCAERN CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCC(=O)NC1=O ZINC000152209720 396002599 /nfs/dbraw/zinc/00/25/99/396002599.db2.gz SUYUKIVMENFUSI-QWRGUYRKSA-N 0 0 308.309 0.905 10 0 DCAERN O=C(CCCc1nc2ccccc2[nH]1)N[C@H]1CCC(=O)NC1=O ZINC000152200563 396002759 /nfs/dbraw/zinc/00/27/59/396002759.db2.gz UJEADUOWPLTGOP-LBPRGKRZSA-N 0 0 314.345 0.807 10 0 DCAERN CC(C)n1nccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000152331571 396006253 /nfs/dbraw/zinc/00/62/53/396006253.db2.gz AFGKKJNKQJOEEA-JTQLQIEISA-N 0 0 300.384 0.228 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCCN1c1nccs1 ZINC000249601421 396010141 /nfs/dbraw/zinc/01/01/41/396010141.db2.gz QOVFVMQGTDFLII-GMTAPVOTSA-N 0 0 308.407 0.753 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000152713693 396014938 /nfs/dbraw/zinc/01/49/38/396014938.db2.gz DLKGYHCBLUNLQN-YCPHGPKFSA-N 0 0 309.410 0.944 10 0 DCAERN CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1=O ZINC000152872798 396016522 /nfs/dbraw/zinc/01/65/22/396016522.db2.gz FOBZUHXBDXXZCF-UHFFFAOYSA-N 0 0 304.346 0.691 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3C[C@@H](O)C3(C)C)C2)cn1 ZINC000251701153 396017374 /nfs/dbraw/zinc/01/73/74/396017374.db2.gz JDLWBBLFOFXBOW-FPMFFAJLSA-N 0 0 321.425 0.848 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152991569 396018551 /nfs/dbraw/zinc/01/85/51/396018551.db2.gz WQJYLISXHAEZGC-UMVBOHGHSA-N 0 0 323.437 0.613 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000153032245 396019780 /nfs/dbraw/zinc/01/97/80/396019780.db2.gz IMHXBKNIKISRRD-LLVKDONJSA-N 0 0 307.350 0.802 10 0 DCAERN CC1(O)CN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)C1 ZINC000277763040 396086055 /nfs/dbraw/zinc/08/60/55/396086055.db2.gz OVBDPCRBUHBHSY-GFCCVEGCSA-N 0 0 306.387 0.795 10 0 DCAERN C[C@@H](CO)Sc1nc[nH]c(=O)c1I ZINC000165996895 396088820 /nfs/dbraw/zinc/08/88/20/396088820.db2.gz KKNPTTMBJNMGDF-BYPYZUCNSA-N 0 0 312.132 0.847 10 0 DCAERN CCCNC(=O)NC[C@@H]1Cn2cccc2C(=O)N1CCOC ZINC000169778878 396091929 /nfs/dbraw/zinc/09/19/29/396091929.db2.gz RGPRLTQCYANOIA-GFCCVEGCSA-N 0 0 308.382 0.668 10 0 DCAERN COCc1nnc2n1CC[C@@H](NC(=O)c1ccn(C)n1)CC2 ZINC000169790400 396093402 /nfs/dbraw/zinc/09/34/02/396093402.db2.gz GWNOBVFRIGVSTJ-JTQLQIEISA-N 0 0 304.354 0.293 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000262093108 396098113 /nfs/dbraw/zinc/09/81/13/396098113.db2.gz GSPXLCXNMNOJRM-GRDNDAEWSA-N 0 0 323.437 0.726 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C)s1 ZINC000070703451 396103756 /nfs/dbraw/zinc/10/37/56/396103756.db2.gz SRHFPIAPSPOPGI-SECBINFHSA-N 0 0 318.424 0.989 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)n1 ZINC000171030881 396104170 /nfs/dbraw/zinc/10/41/70/396104170.db2.gz ROPBBNVPYCRVAW-JQWIXIFHSA-N 0 0 304.350 0.467 10 0 DCAERN O=C(CNc1ccccc1C(=O)NC1CC1)N1CCOCC1 ZINC000071079988 396109418 /nfs/dbraw/zinc/10/94/18/396109418.db2.gz OVNLYZJEJAYWJN-UHFFFAOYSA-N 0 0 303.362 0.850 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000278362283 396121034 /nfs/dbraw/zinc/12/10/34/396121034.db2.gz KIEAOECMLISNMI-SECBINFHSA-N 0 0 304.354 0.725 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3nncs3)CCO2)c1 ZINC000171837375 396126312 /nfs/dbraw/zinc/12/63/12/396126312.db2.gz IIWHLNMWJHSKRW-JTQLQIEISA-N 0 0 308.367 0.976 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000278550502 396131109 /nfs/dbraw/zinc/13/11/09/396131109.db2.gz IJPKNGMHMVYCPE-KBPBESRZSA-N 0 0 319.409 0.775 10 0 DCAERN Cc1ccn2cc(CN3C[C@@]4(C(=O)[O-])C[NH2+]C[C@H]4C3=O)nc2c1 ZINC000072408862 396131493 /nfs/dbraw/zinc/13/14/93/396131493.db2.gz ZNRGONOGPURCGP-LRDDRELGSA-N 0 0 314.345 0.275 10 0 DCAERN CCOc1c(F)cccc1C(=O)NCCNS(=O)(=O)CC ZINC000173432272 396135289 /nfs/dbraw/zinc/13/52/89/396135289.db2.gz GIZKSUUPPKTMQV-UHFFFAOYSA-N 0 0 318.370 0.894 10 0 DCAERN CN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)c1nccs1 ZINC000173949290 396136855 /nfs/dbraw/zinc/13/68/55/396136855.db2.gz VDQXGZPZXIRGPA-GFCCVEGCSA-N 0 0 310.423 0.512 10 0 DCAERN Cc1cnc([C@H](NC(=O)CN2CC(=O)NC2=O)C2CC2)s1 ZINC000174027640 396137133 /nfs/dbraw/zinc/13/71/33/396137133.db2.gz NMSCWKSYKNXRDS-LLVKDONJSA-N 0 0 308.363 0.571 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCCN(CC(F)F)CC2)C1 ZINC000161716780 396077528 /nfs/dbraw/zinc/07/75/28/396077528.db2.gz ZCJXHLHMNVGGPJ-GFCCVEGCSA-N 0 0 320.384 0.299 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000162976481 396085173 /nfs/dbraw/zinc/08/51/73/396085173.db2.gz NSHIYLXEUDBXEB-STQMWFEESA-N 0 0 324.425 0.698 10 0 DCAERN C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178790948 396208951 /nfs/dbraw/zinc/20/89/51/396208951.db2.gz UPPGBUPDWBECEQ-VHSXEESVSA-N 0 0 300.380 0.471 10 0 DCAERN CCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000175944362 396147147 /nfs/dbraw/zinc/14/71/47/396147147.db2.gz XWZOLSKQSRWBDN-CQSZACIVSA-N 0 0 306.410 0.968 10 0 DCAERN CNC(=O)CCCN(C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000178804490 396209645 /nfs/dbraw/zinc/20/96/45/396209645.db2.gz BXVHUCHLRZTBTP-UHFFFAOYSA-N 0 0 311.357 0.986 10 0 DCAERN CN(CC(C)(C)O)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000176474362 396155573 /nfs/dbraw/zinc/15/55/73/396155573.db2.gz WXCDSBBBCBIANO-JSGCOSHPSA-N 0 0 305.378 0.830 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCCn2ncnc21 ZINC000176579826 396157285 /nfs/dbraw/zinc/15/72/85/396157285.db2.gz XDSXRWSHUZRTDG-KOLCDFICSA-N 0 0 304.354 0.176 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)Cn2nnc(-c3ccsc3)n2)C1 ZINC000074195293 396159975 /nfs/dbraw/zinc/15/99/75/396159975.db2.gz RZVQIZVOFOGMGA-VIFPVBQESA-N 0 0 320.378 0.126 10 0 DCAERN Cc1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C)n1 ZINC000176763563 396160801 /nfs/dbraw/zinc/16/08/01/396160801.db2.gz ZQNAKTKLKGHOHT-LLVKDONJSA-N 0 0 312.395 0.854 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1N1CCOCC1 ZINC000176996619 396164774 /nfs/dbraw/zinc/16/47/74/396164774.db2.gz DRKKBNTUCUSAGX-JSGCOSHPSA-N 0 0 311.407 0.423 10 0 DCAERN CS(=O)(=O)NCCC(=O)NCCc1cc(F)ccc1F ZINC000177096172 396166515 /nfs/dbraw/zinc/16/65/15/396166515.db2.gz PVNVTPPNFVEAOF-UHFFFAOYSA-N 0 0 306.334 0.563 10 0 DCAERN CN(CC(=O)NCCN1CCc2ccccc21)Cc1nc[nH]n1 ZINC000177146356 396166984 /nfs/dbraw/zinc/16/69/84/396166984.db2.gz LFQRPMLONZGNCA-UHFFFAOYSA-N 0 0 314.393 0.415 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@H](CO)C3)C2)cn1 ZINC000074613678 396168714 /nfs/dbraw/zinc/16/87/14/396168714.db2.gz VDFHQODISCXXHE-KBPBESRZSA-N 0 0 321.425 0.803 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(CNC(=O)NC2CCCCC2)n1 ZINC000263283217 396211327 /nfs/dbraw/zinc/21/13/27/396211327.db2.gz UPISDRLYEJNAAY-GFCCVEGCSA-N 0 0 322.413 0.778 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177626336 396180501 /nfs/dbraw/zinc/18/05/01/396180501.db2.gz DQSMRACQTSYUFU-SECBINFHSA-N 0 0 303.297 0.487 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951590 396186647 /nfs/dbraw/zinc/18/66/47/396186647.db2.gz QACTYHOXGJLUCH-CYBMUJFWSA-N 0 0 303.366 0.464 10 0 DCAERN COc1ccnc(N2CCN(Cc3nccc(N)n3)CC2)n1 ZINC000177945977 396186732 /nfs/dbraw/zinc/18/67/32/396186732.db2.gz HUKNNVINGKDWGA-UHFFFAOYSA-N 0 0 301.354 0.180 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccon2)CC1 ZINC000075857681 396188147 /nfs/dbraw/zinc/18/81/47/396188147.db2.gz OQVZPZOAAIVALP-LBPRGKRZSA-N 0 0 323.397 0.415 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)[C@@H]1CC(F)(F)CN1 ZINC000262901564 396190630 /nfs/dbraw/zinc/19/06/30/396190630.db2.gz DQGWBLUYFBBZSK-NSHDSACASA-N 0 0 307.304 0.881 10 0 DCAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075980635 396190838 /nfs/dbraw/zinc/19/08/38/396190838.db2.gz QRWZDOWLZNFOKW-AAEUAGOBSA-N 0 0 311.407 0.981 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000178302444 396194100 /nfs/dbraw/zinc/19/41/00/396194100.db2.gz LIQUYLGLNKCIIU-CYBMUJFWSA-N 0 0 319.471 0.758 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(F)(F)CN1 ZINC000263015815 396197869 /nfs/dbraw/zinc/19/78/69/396197869.db2.gz QHDMVGXXYLKHBR-NSHDSACASA-N 0 0 312.320 0.854 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H]2CCCS2)CC1 ZINC000181970255 396245214 /nfs/dbraw/zinc/24/52/14/396245214.db2.gz UIHOAWFOSMJWJS-QWHCGFSZSA-N 0 0 301.456 0.980 10 0 DCAERN Cn1cc(N2CCC[C@@H](Nc3ccnc(C(N)=O)c3)C2)cn1 ZINC000184037304 396281839 /nfs/dbraw/zinc/28/18/39/396281839.db2.gz GXMUJSCOMCYCJC-GFCCVEGCSA-N 0 0 300.366 0.995 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 ZINC000182401997 396249787 /nfs/dbraw/zinc/24/97/87/396249787.db2.gz DQYPUCIWIHHVAP-UHFFFAOYSA-N 0 0 323.378 0.893 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000281937680 396249839 /nfs/dbraw/zinc/24/98/39/396249839.db2.gz RKVWGSYJYWEXOU-UKRRQHHQSA-N 0 0 321.425 0.987 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCc1nccn1CC(C)C ZINC000182418368 396250830 /nfs/dbraw/zinc/25/08/30/396250830.db2.gz PTORZIHCDQACSY-UHFFFAOYSA-N 0 0 317.411 0.912 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2ccnn2)C[C@@H]1C ZINC000182483380 396251393 /nfs/dbraw/zinc/25/13/93/396251393.db2.gz QBFKUVMIMQSDIR-ZDUSSCGKSA-N 0 0 310.402 0.030 10 0 DCAERN C[C@@H](CC(=O)NCCCn1ccnn1)NC(=O)C1CCCC1 ZINC000182727422 396253224 /nfs/dbraw/zinc/25/32/24/396253224.db2.gz XDLOUBGEABZSOU-LBPRGKRZSA-N 0 0 307.398 0.869 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2cc(C)nn2c1C ZINC000264148732 396257662 /nfs/dbraw/zinc/25/76/62/396257662.db2.gz GRHMWPWAGDPUAI-LBPRGKRZSA-N 0 0 301.350 0.697 10 0 DCAERN COc1n[nH]c(NC(=O)c2ccc3c(c2)CCC(=O)N3C)n1 ZINC000182985683 396258222 /nfs/dbraw/zinc/25/82/22/396258222.db2.gz MHSDLFKMEFQCNB-UHFFFAOYSA-N 0 0 301.306 0.975 10 0 DCAERN COCCCOC1CN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000183016395 396258869 /nfs/dbraw/zinc/25/88/69/396258869.db2.gz ZQDGLWLPUJJLRP-UHFFFAOYSA-N 0 0 304.350 0.846 10 0 DCAERN CCC(CC)(CNC(=O)NCCCn1ccnn1)C(=O)OC ZINC000183039440 396258951 /nfs/dbraw/zinc/25/89/51/396258951.db2.gz FCMOCOYTLSVTFC-UHFFFAOYSA-N 0 0 311.386 0.947 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)CC(=O)N1C ZINC000282077844 396261061 /nfs/dbraw/zinc/26/10/61/396261061.db2.gz CGMFOBYLZZPQJO-NXEZZACHSA-N 0 0 317.345 0.709 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc2c(c1)c(C)nn2C ZINC000264209351 396262169 /nfs/dbraw/zinc/26/21/69/396262169.db2.gz RHCITPMONZTGKW-GFCCVEGCSA-N 0 0 301.350 0.627 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000282132245 396266138 /nfs/dbraw/zinc/26/61/38/396266138.db2.gz HCFLMGMCQVNQMO-WCFLWFBJSA-N 0 0 305.382 0.934 10 0 DCAERN O=C(CN1CCCN(c2ccccn2)CC1)NC1CCOCC1 ZINC000183781036 396274554 /nfs/dbraw/zinc/27/45/54/396274554.db2.gz GPCLOZHVYVHGPX-UHFFFAOYSA-N 0 0 318.421 0.889 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183803938 396275175 /nfs/dbraw/zinc/27/51/75/396275175.db2.gz SJSIBDHDHZEVSS-ZDUSSCGKSA-N 0 0 319.409 0.828 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183970123 396279112 /nfs/dbraw/zinc/27/91/12/396279112.db2.gz YPIZFDUNDDWGFE-ZJUUUORDSA-N 0 0 324.406 0.862 10 0 DCAERN CC(C)[C@H](O)CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000178898079 396213734 /nfs/dbraw/zinc/21/37/34/396213734.db2.gz DZXWDGDDYVRCEL-GFCCVEGCSA-N 0 0 306.366 0.363 10 0 DCAERN COC(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000178960936 396216134 /nfs/dbraw/zinc/21/61/34/396216134.db2.gz AVQKZYQNOCCXSM-WDEREUQCSA-N 0 0 307.354 0.850 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 ZINC000077283293 396217324 /nfs/dbraw/zinc/21/73/24/396217324.db2.gz WEGYLCIYNXUURK-RISCZKNCSA-N 0 0 309.410 0.808 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000077614243 396227553 /nfs/dbraw/zinc/22/75/53/396227553.db2.gz JLXYOAVLDAYRQW-CQSZACIVSA-N 0 0 323.418 0.500 10 0 DCAERN CC(C)C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCOCC1 ZINC000077658169 396227973 /nfs/dbraw/zinc/22/79/73/396227973.db2.gz OHTVCQPGSYPLHA-OAHLLOKOSA-N 0 0 321.421 0.862 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000179649194 396228343 /nfs/dbraw/zinc/22/83/43/396228343.db2.gz VVFMQDHNQNINHF-RYUDHWBXSA-N 0 0 305.444 0.954 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 ZINC000280892512 396228428 /nfs/dbraw/zinc/22/84/28/396228428.db2.gz GFHJHIIKAATQIM-UHFFFAOYSA-N 0 0 310.375 0.508 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cn[nH]n1 ZINC000184994241 396313341 /nfs/dbraw/zinc/31/33/41/396313341.db2.gz GTYDAGLNDUDHOT-UHFFFAOYSA-N 0 0 306.301 0.105 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)NCCCn1ccnn1 ZINC000185076295 396316536 /nfs/dbraw/zinc/31/65/36/396316536.db2.gz UAVHMGUGNHDYPG-SNVBAGLBSA-N 0 0 307.379 0.664 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2c(C)cccc2C)C1 ZINC000185093173 396317560 /nfs/dbraw/zinc/31/75/60/396317560.db2.gz NMIOHBWVHSXINB-OAHLLOKOSA-N 0 0 322.405 0.490 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCN(c2cccs2)C(=O)C1 ZINC000184077778 396284517 /nfs/dbraw/zinc/28/45/17/396284517.db2.gz KKTHZZZJUPFDLF-LBPRGKRZSA-N 0 0 324.402 0.976 10 0 DCAERN CCn1c2ccc(F)cc2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000184106585 396285676 /nfs/dbraw/zinc/28/56/76/396285676.db2.gz OHQCFQVNFSKHAI-VIFPVBQESA-N 0 0 319.296 0.732 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNc2cncc(C(N)=O)n2)C[C@@H](C)O1 ZINC000080766879 396286090 /nfs/dbraw/zinc/28/60/90/396286090.db2.gz HCUZILMGMNWMCT-GHMZBOCLSA-N 0 0 307.398 0.875 10 0 DCAERN C[C@@H]1CN(C(C)(C)CNc2cncc(C(N)=O)n2)C[C@H](C)O1 ZINC000080766869 396286295 /nfs/dbraw/zinc/28/62/95/396286295.db2.gz HCUZILMGMNWMCT-PHIMTYICSA-N 0 0 307.398 0.875 10 0 DCAERN NC(=O)c1cncc(N2CCC(CC(=O)N3CCCC3)CC2)n1 ZINC000080772684 396286376 /nfs/dbraw/zinc/28/63/76/396286376.db2.gz PBSAVHXXOQTLSF-UHFFFAOYSA-N 0 0 317.393 0.804 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000282414446 396288915 /nfs/dbraw/zinc/28/89/15/396288915.db2.gz FGMFPLYYCSUIBO-OIBJUYFYSA-N 0 0 304.318 0.910 10 0 DCAERN CC1(Cn2cc(C(=O)N3CCN4CCCC[C@@H]4C3)nn2)COC1 ZINC000184389064 396292991 /nfs/dbraw/zinc/29/29/91/396292991.db2.gz AADADQILXVQOCT-CYBMUJFWSA-N 0 0 319.409 0.625 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)c2ccc(=O)n(C)c2)CC1(C)C ZINC000081241547 396295072 /nfs/dbraw/zinc/29/50/72/396295072.db2.gz ZZVGONOXKHPNFA-UHFFFAOYSA-N 0 0 305.378 0.857 10 0 DCAERN O=S(=O)(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCOCC1 ZINC000081187343 396295263 /nfs/dbraw/zinc/29/52/63/396295263.db2.gz PHMRWFKRDPEJFQ-STQMWFEESA-N 0 0 314.411 0.533 10 0 DCAERN COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CCO1 ZINC000081293023 396295907 /nfs/dbraw/zinc/29/59/07/396295907.db2.gz VGHRZCAMJGKRLJ-HNNXBMFYSA-N 0 0 320.389 0.909 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)no1 ZINC000264638353 396298066 /nfs/dbraw/zinc/29/80/66/396298066.db2.gz UMJSXHZJPFCDLX-LLVKDONJSA-N 0 0 301.368 0.365 10 0 DCAERN CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000185183013 396321230 /nfs/dbraw/zinc/32/12/30/396321230.db2.gz KJDFMWSKUTZHCP-VIFPVBQESA-N 0 0 324.761 0.173 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000185220198 396321962 /nfs/dbraw/zinc/32/19/62/396321962.db2.gz AGUCJDJNSWPAGR-HNNXBMFYSA-N 0 0 320.414 0.990 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000185232772 396322272 /nfs/dbraw/zinc/32/22/72/396322272.db2.gz CVVAQHAATHLCBA-WIUDPPPLSA-N 0 0 317.455 0.844 10 0 DCAERN CCC1(CC)CN(CC(=O)NC[C@@H]2CCCO2)CC[S@@]1=O ZINC000185232087 396322446 /nfs/dbraw/zinc/32/24/46/396322446.db2.gz CMIVFCJPNKQICQ-ZSEKCTLFSA-N 0 0 316.467 0.905 10 0 DCAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1C[C@@H](O)C[C@H]1CO ZINC000185585098 396330593 /nfs/dbraw/zinc/33/05/93/396330593.db2.gz QZDINDKCDNZYLU-BYNSBNAKSA-N 0 0 306.362 0.654 10 0 DCAERN COC(=O)c1cn(C2CCN(C(=O)N[C@@H]3C[C@H]3C)CC2)nn1 ZINC000185607246 396331182 /nfs/dbraw/zinc/33/11/82/396331182.db2.gz WFIGKVMHFRVMHP-MWLCHTKSSA-N 0 0 307.354 0.820 10 0 DCAERN CNC(=O)CC(=O)N[C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000185748777 396334497 /nfs/dbraw/zinc/33/44/97/396334497.db2.gz TWXBIEPGTSBLQC-LBPRGKRZSA-N 0 0 316.716 0.946 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186079723 396340568 /nfs/dbraw/zinc/34/05/68/396340568.db2.gz WYOHYKWYLRFNLO-VXGBXAGGSA-N 0 0 313.423 0.344 10 0 DCAERN NC(=O)NC1(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000186228254 396345753 /nfs/dbraw/zinc/34/57/53/396345753.db2.gz ATVRPYOUVSPXJR-UHFFFAOYSA-N 0 0 318.381 0.137 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186077745 396340838 /nfs/dbraw/zinc/34/08/38/396340838.db2.gz YABGQENAUDNVKM-OAHLLOKOSA-N 0 0 309.366 0.434 10 0 DCAERN COc1ccc(F)cc1CNC(=O)NCCN1CCOCC1 ZINC000186102169 396341410 /nfs/dbraw/zinc/34/14/10/396341410.db2.gz VDLWKOIILVLAPW-UHFFFAOYSA-N 0 0 311.357 0.966 10 0 DCAERN Cn1ncc2c1ncnc2NCC(C)(C)N1CCS(=O)CC1 ZINC000265772547 396342648 /nfs/dbraw/zinc/34/26/48/396342648.db2.gz JFWATSKKWJRLEN-UHFFFAOYSA-N 0 0 322.438 0.618 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@@H](C)O1 ZINC000186169651 396343404 /nfs/dbraw/zinc/34/34/04/396343404.db2.gz GPRXEIIRBVSXSX-RKDXNWHRSA-N 0 0 309.338 0.946 10 0 DCAERN O=C(NC1CN(S(=O)(=O)C[C@@H]2CCCO2)C1)C1CCC1 ZINC000186181111 396343715 /nfs/dbraw/zinc/34/37/15/396343715.db2.gz UKKKQKHCIHUSMC-LBPRGKRZSA-N 0 0 302.396 0.096 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)N2CC(CO)C2)c1 ZINC000186607621 396353254 /nfs/dbraw/zinc/35/32/54/396353254.db2.gz IFPFMOCUJUGVFG-UHFFFAOYSA-N 0 0 302.338 0.816 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCCN1CCO[C@@H](CO)C1 ZINC000267345659 396355673 /nfs/dbraw/zinc/35/56/73/396355673.db2.gz DRSIJDCIVBGOGW-GFCCVEGCSA-N 0 0 304.346 0.366 10 0 DCAERN CCC1(CC)CN(C(=O)CN(C)C(=O)COC)CC[S@]1=O ZINC000186728628 396356918 /nfs/dbraw/zinc/35/69/18/396356918.db2.gz ZHMHVHRIQCBEGW-OAQYLSRUSA-N 0 0 318.439 0.241 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187292822 396366824 /nfs/dbraw/zinc/36/68/24/396366824.db2.gz RWAAJTFOXQOSSL-UHFFFAOYSA-N 0 0 313.304 0.941 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@@H](O)c1ccc(F)cc1Cl ZINC000187394476 396368788 /nfs/dbraw/zinc/36/87/88/396368788.db2.gz VPLQIDKPUUSSSJ-VXGBXAGGSA-N 0 0 302.733 0.699 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187476248 396370608 /nfs/dbraw/zinc/37/06/08/396370608.db2.gz NUCFZBDQVDKRLI-LBPRGKRZSA-N 0 0 318.381 0.341 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2nc(-c3ccccc3F)no2)n1 ZINC000187844256 396375250 /nfs/dbraw/zinc/37/52/50/396375250.db2.gz GVVJUSGSPMYYCN-UHFFFAOYSA-N 0 0 315.264 0.580 10 0 DCAERN Cc1ccc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)n1 ZINC000186442041 396350075 /nfs/dbraw/zinc/35/00/75/396350075.db2.gz CQTPVOPKBWTMIT-UHFFFAOYSA-N 0 0 318.421 0.867 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000285704998 396351545 /nfs/dbraw/zinc/35/15/45/396351545.db2.gz IZFCZIQPZKENPJ-INIZCTEOSA-N 0 0 320.345 0.770 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000285700355 396351598 /nfs/dbraw/zinc/35/15/98/396351598.db2.gz WXDAOASDAGPATC-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000188356818 396381679 /nfs/dbraw/zinc/38/16/79/396381679.db2.gz BRRGSYXBOMHFKA-ZIAGYGMSSA-N 0 0 301.431 0.756 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](CO)C2)NC1=O ZINC000269085140 396384707 /nfs/dbraw/zinc/38/47/07/396384707.db2.gz LZSNAIXIZNXTTE-VHSXEESVSA-N 0 0 306.318 0.239 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1)C1CCC1 ZINC000188886663 396388198 /nfs/dbraw/zinc/38/81/98/396388198.db2.gz BUUSGENFFBPJPP-LLVKDONJSA-N 0 0 320.393 0.060 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nnc(C3CC3)o2)C[C@@H](C)O1 ZINC000189067364 396390333 /nfs/dbraw/zinc/39/03/33/396390333.db2.gz RQWBSHCSELQTEM-RKDXNWHRSA-N 0 0 316.383 0.391 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc(COC)o2)CC1=O ZINC000189057729 396390354 /nfs/dbraw/zinc/39/03/54/396390354.db2.gz OHNNMUQUFWXIQH-UHFFFAOYSA-N 0 0 310.350 0.747 10 0 DCAERN COCCN1CCCN(C(=O)c2cnn3c2CCCC3)CC1=O ZINC000189056961 396390539 /nfs/dbraw/zinc/39/05/39/396390539.db2.gz VNSBGBNECMHYJY-UHFFFAOYSA-N 0 0 320.393 0.540 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)CC2 ZINC000189146621 396390966 /nfs/dbraw/zinc/39/09/66/396390966.db2.gz VHKWNCKDRZUWEM-FRRDWIJNSA-N 0 0 321.425 0.986 10 0 DCAERN O=C(C[C@@H]1CSCCS1)N1CC(NC(=O)C2CC2)C1 ZINC000189421862 396394862 /nfs/dbraw/zinc/39/48/62/396394862.db2.gz KHZQRKUIKBZATP-LLVKDONJSA-N 0 0 300.449 0.962 10 0 DCAERN O=C1CN(S(=O)(=O)c2cccnc2C(F)(F)F)CCN1 ZINC000286431717 396395212 /nfs/dbraw/zinc/39/52/12/396395212.db2.gz HEQSUWYZFHTMNZ-UHFFFAOYSA-N 0 0 309.269 0.221 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)CC2CCCCC2)CC1=O ZINC000189816017 396400309 /nfs/dbraw/zinc/40/03/09/396400309.db2.gz GPBXVUZGRRCSKR-UHFFFAOYSA-N 0 0 309.410 0.764 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCOCC(F)(F)C(F)F ZINC000189936202 396401100 /nfs/dbraw/zinc/40/11/00/396401100.db2.gz ZADDCEDUEOAQAL-ZETCQYMHSA-N 0 0 316.251 0.006 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCC(Nc3nccs3)CC2)C1 ZINC000190411897 396405895 /nfs/dbraw/zinc/40/58/95/396405895.db2.gz CNPVZGSZGVVYMZ-LBPRGKRZSA-N 0 0 310.423 0.877 10 0 DCAERN CCN1CN(C(=O)CCc2nc(-c3ccccn3)no2)CC1=O ZINC000190595434 396408465 /nfs/dbraw/zinc/40/84/65/396408465.db2.gz PHTAHQHJJLSFEF-UHFFFAOYSA-N 0 0 315.333 0.712 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCCN(C)C(=O)C1 ZINC000190632807 396408882 /nfs/dbraw/zinc/40/88/82/396408882.db2.gz IXNCUCNMJHZXAK-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN CCN1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CC1=O ZINC000190645149 396409668 /nfs/dbraw/zinc/40/96/68/396409668.db2.gz WEIFDPZHYZIOMZ-UHFFFAOYSA-N 0 0 308.281 0.914 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190693384 396410221 /nfs/dbraw/zinc/41/02/21/396410221.db2.gz LTZOXNMDYRGPPN-SNVBAGLBSA-N 0 0 322.413 0.781 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)[C@H](C)OC)CCO2)[nH]1 ZINC000190706106 396410475 /nfs/dbraw/zinc/41/04/75/396410475.db2.gz QYCSTBQGHKPQSR-DCAQKATOSA-N 0 0 311.386 0.873 10 0 DCAERN COc1ncc(Cl)c(NC[C@@H](O)CN2CCOCC2)n1 ZINC000269369933 396410516 /nfs/dbraw/zinc/41/05/16/396410516.db2.gz PAOAJEFHLUHNMZ-SECBINFHSA-N 0 0 302.762 0.244 10 0 DCAERN CCCC[C@@H](C(=O)OC)N1CCCN(CCOC)C(=O)C1 ZINC000190784098 396411164 /nfs/dbraw/zinc/41/11/64/396411164.db2.gz XDKMVJAHTFVQRQ-ZDUSSCGKSA-N 0 0 300.399 0.899 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCCC[C@@H]2C)CC1=O ZINC000190764342 396411262 /nfs/dbraw/zinc/41/12/62/396411262.db2.gz WERBALUMBRBMAH-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN COCCN1CCCN(C[C@@H](O)COc2ccccc2)CC1=O ZINC000190762077 396411282 /nfs/dbraw/zinc/41/12/82/396411282.db2.gz XXWJDWFMQDQRGJ-OAHLLOKOSA-N 0 0 322.405 0.607 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H](C)O1 ZINC000190811325 396411668 /nfs/dbraw/zinc/41/16/68/396411668.db2.gz ZVQHAIYTTOGDEL-UTUOFQBUSA-N 0 0 309.370 0.038 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H](C)O1 ZINC000190812005 396411936 /nfs/dbraw/zinc/41/19/36/396411936.db2.gz ZVQHAIYTTOGDEL-TUAOUCFPSA-N 0 0 309.370 0.038 10 0 DCAERN COCc1cccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190980851 396412996 /nfs/dbraw/zinc/41/29/96/396412996.db2.gz LLBIZBQZEOQHGX-LLVKDONJSA-N 0 0 312.391 0.732 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccccc2Cl)CC1=O ZINC000191040832 396414503 /nfs/dbraw/zinc/41/45/03/396414503.db2.gz RIKLTAPGRYVVCM-UHFFFAOYSA-N 0 0 309.753 0.969 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191043346 396414554 /nfs/dbraw/zinc/41/45/54/396414554.db2.gz HTOSJDOZCZUEFQ-UHFFFAOYSA-N 0 0 308.338 0.175 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCCN(C)C(=O)C1 ZINC000191090054 396415420 /nfs/dbraw/zinc/41/54/20/396415420.db2.gz MJSIXHBQLUNPBY-STQMWFEESA-N 0 0 324.425 0.555 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191427147 396418904 /nfs/dbraw/zinc/41/89/04/396418904.db2.gz FFAKQJMJQDNXLC-ZWNOBZJWSA-N 0 0 321.425 0.888 10 0 DCAERN Cc1nccn1CCCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191425357 396419058 /nfs/dbraw/zinc/41/90/58/396419058.db2.gz BIPMYWNOOIYLSX-GFCCVEGCSA-N 0 0 307.398 0.892 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000269560722 396424712 /nfs/dbraw/zinc/42/47/12/396424712.db2.gz KQWAVHYRFGTMSB-LBPRGKRZSA-N 0 0 304.302 0.189 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000191920722 396427023 /nfs/dbraw/zinc/42/70/23/396427023.db2.gz HJGDMOKCWLEPMV-HNNXBMFYSA-N 0 0 304.346 0.770 10 0 DCAERN COC(=O)[C@@H](C)N(C[C@H](O)CN1CCOCC1)C1CCC1 ZINC000192379217 396430649 /nfs/dbraw/zinc/43/06/49/396430649.db2.gz UALDHMNEISSMAC-TZMCWYRMSA-N 0 0 300.399 0.096 10 0 DCAERN CC(=O)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000192476249 396431388 /nfs/dbraw/zinc/43/13/88/396431388.db2.gz YHKWFAUUQVPICB-RYUDHWBXSA-N 0 0 320.393 0.448 10 0 DCAERN Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000193198075 396445920 /nfs/dbraw/zinc/44/59/20/396445920.db2.gz SLXUZQYOZZNMJW-QWRGUYRKSA-N 0 0 308.382 0.980 10 0 DCAERN CN1CCCN(C(=O)c2cc(N3CCCC3)ccn2)CC1=O ZINC000192623548 396433723 /nfs/dbraw/zinc/43/37/23/396433723.db2.gz UDOQOKYNOMPBEV-UHFFFAOYSA-N 0 0 302.378 0.986 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000192855289 396438658 /nfs/dbraw/zinc/43/86/58/396438658.db2.gz QSEHXRIJXDGXTD-ZDUSSCGKSA-N 0 0 305.444 0.227 10 0 DCAERN COC(=O)CC1(NS(=O)(=O)c2cn(C)c(C)n2)CCCC1 ZINC000193016049 396442480 /nfs/dbraw/zinc/44/24/80/396442480.db2.gz ZVNQUZADUWSAEF-UHFFFAOYSA-N 0 0 315.395 0.883 10 0 DCAERN Cc1cccc(-n2cc(C(=O)N3CCCNC(=O)[C@H]3C)nn2)c1 ZINC000188080374 396378193 /nfs/dbraw/zinc/37/81/93/396378193.db2.gz JKRAYLZGKQHWNO-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000580727167 396495833 /nfs/dbraw/zinc/49/58/33/396495833.db2.gz DPPQASWDUJHXPD-BETUJISGSA-N 0 0 304.346 0.868 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccoc1Br ZINC000193322735 396448681 /nfs/dbraw/zinc/44/86/81/396448681.db2.gz NGMHMPHRIJLTGD-ZCFIWIBFSA-N 0 0 301.096 0.577 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193328342 396449198 /nfs/dbraw/zinc/44/91/98/396449198.db2.gz AKZBZZBDRICFJL-WPRPVWTQSA-N 0 0 324.768 0.834 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000371550020 396469862 /nfs/dbraw/zinc/46/98/62/396469862.db2.gz BSMFLTZSYNZUIM-RVMXOQNASA-N 0 0 311.382 0.195 10 0 DCAERN O=C(COCCc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000371798052 396476931 /nfs/dbraw/zinc/47/69/31/396476931.db2.gz XYSXCZKHWCTKKM-MRXNPFEDSA-N 0 0 304.390 0.789 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000371817368 396477506 /nfs/dbraw/zinc/47/75/06/396477506.db2.gz WBZVBRBHPQUPBG-QGZVFWFLSA-N 0 0 317.433 0.670 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCCOc1ccccc1 ZINC000371833458 396478201 /nfs/dbraw/zinc/47/82/01/396478201.db2.gz ABKXORAXSBVIDG-HNNXBMFYSA-N 0 0 319.405 0.198 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371834640 396478258 /nfs/dbraw/zinc/47/82/58/396478258.db2.gz LSFKYBADRDRVCE-LLVKDONJSA-N 0 0 322.365 0.027 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000372765584 396544183 /nfs/dbraw/zinc/54/41/83/396544183.db2.gz BCTRCHZNHPXFHP-WUHRBBMRSA-N 0 0 300.424 0.961 10 0 DCAERN COCC[C@@H]1CCCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000373346682 396585707 /nfs/dbraw/zinc/58/57/07/396585707.db2.gz RTHFABVQDGTCNP-LBPRGKRZSA-N 0 0 311.382 0.546 10 0 DCAERN Cc1noc(C2CN(C(=O)[C@H]3COCCN3CC3CCC3)C2)n1 ZINC000373085945 396564720 /nfs/dbraw/zinc/56/47/20/396564720.db2.gz HFRLWIRSWUDYAX-CQSZACIVSA-N 0 0 320.393 0.805 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000374220615 396648929 /nfs/dbraw/zinc/64/89/29/396648929.db2.gz WBYMICJBFSNGGV-RSXIPKFTSA-N 0 0 306.366 0.233 10 0 DCAERN COc1cccc(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000585737989 396651896 /nfs/dbraw/zinc/65/18/96/396651896.db2.gz IKQRRETYIWHWOO-UHFFFAOYSA-N 0 0 312.391 0.851 10 0 DCAERN O=S1(=O)CCCN1CCCNc1ccc2nccnc2n1 ZINC000585744785 396652112 /nfs/dbraw/zinc/65/21/12/396652112.db2.gz ZPFASZBYNJEMSB-UHFFFAOYSA-N 0 0 307.379 0.236 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCO1 ZINC000374285070 396652454 /nfs/dbraw/zinc/65/24/54/396652454.db2.gz RQJWKYKERSBWPR-QLFBSQMISA-N 0 0 311.426 0.918 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)NC1(C(F)(F)F)CCOCC1 ZINC000562272580 396654640 /nfs/dbraw/zinc/65/46/40/396654640.db2.gz LZYAVZQBVJRSQT-UHFFFAOYSA-N 0 0 322.283 0.753 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000581890513 396591308 /nfs/dbraw/zinc/59/13/08/396591308.db2.gz UXTMJCVGWGJSTO-WCQYABFASA-N 0 0 318.439 0.922 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000531554227 396597799 /nfs/dbraw/zinc/59/77/99/396597799.db2.gz RMOYIWXOOCBBRR-NSHDSACASA-N 0 0 302.338 0.355 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@]3(CCSC3)C2)nn1 ZINC000582004258 396601110 /nfs/dbraw/zinc/60/11/10/396601110.db2.gz JRZPUKWWGBJOKG-ZDUSSCGKSA-N 0 0 310.379 0.215 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1CCN1C(=O)NC(C)(C)C1=O ZINC000533378492 396602179 /nfs/dbraw/zinc/60/21/79/396602179.db2.gz JBBUEIHPMUUFBB-NSHDSACASA-N 0 0 311.382 0.733 10 0 DCAERN Cn1nccc1S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373672588 396606498 /nfs/dbraw/zinc/60/64/98/396606498.db2.gz OADPHYFFYMCMTQ-CYBMUJFWSA-N 0 0 315.395 0.379 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)S(C)(=O)=O)C1 ZINC000533640854 396608523 /nfs/dbraw/zinc/60/85/23/396608523.db2.gz GDTMQGLKHZTNKH-MNOVXSKESA-N 0 0 319.427 0.120 10 0 DCAERN C[C@H](CN1C[C@@H](C)O[C@]2(CCCOC2)C1)CS(C)(=O)=O ZINC000373802668 396615196 /nfs/dbraw/zinc/61/51/96/396615196.db2.gz AKANGCALVYWLGG-MGPQQGTHSA-N 0 0 305.440 0.937 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C(C)C ZINC000560490031 396616902 /nfs/dbraw/zinc/61/69/02/396616902.db2.gz UPIPAAUCMFFUQB-AVGNSLFASA-N 0 0 302.415 0.421 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)n(C)c1 ZINC000374120491 396640746 /nfs/dbraw/zinc/64/07/46/396640746.db2.gz OHUXDISFMULCAY-BIMULSAOSA-N 0 0 303.362 0.967 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnn3ncccc23)C1 ZINC000561460873 396641748 /nfs/dbraw/zinc/64/17/48/396641748.db2.gz JLFZVGBLZLXSIS-SNVBAGLBSA-N 0 0 302.338 0.263 10 0 DCAERN COC1CCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000586606035 396661480 /nfs/dbraw/zinc/66/14/80/396661480.db2.gz YZMFMUPNWHOSOD-UHFFFAOYSA-N 0 0 319.427 0.232 10 0 DCAERN CN(CC(F)(F)F)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000374448772 396665130 /nfs/dbraw/zinc/66/51/30/396665130.db2.gz JLHPRRSECPJHRP-SNVBAGLBSA-N 0 0 323.315 0.970 10 0 DCAERN NC(=O)c1cc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)ccn1 ZINC000374539877 396670763 /nfs/dbraw/zinc/67/07/63/396670763.db2.gz VBVUELAOXOYUOD-FZMZJTMJSA-N 0 0 305.378 0.582 10 0 DCAERN CC(C)NS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374657623 396678358 /nfs/dbraw/zinc/67/83/58/396678358.db2.gz MFKDRPGGYIWUOP-RYUDHWBXSA-N 0 0 306.428 0.387 10 0 DCAERN O=C(CNCC(F)(F)F)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374752288 396684744 /nfs/dbraw/zinc/68/47/44/396684744.db2.gz PUENJSOYAUZALZ-PWSUYJOCSA-N 0 0 324.343 0.822 10 0 DCAERN O=C(CN1CCCCC1=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374793890 396688421 /nfs/dbraw/zinc/68/84/21/396688421.db2.gz MXWYEXKILSRBCL-CJNGLKHVSA-N 0 0 324.421 0.683 10 0 DCAERN Cc1noc(C)c1CO[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000375162715 396715081 /nfs/dbraw/zinc/71/50/81/396715081.db2.gz YJNLCRWKFPCGAJ-GFCCVEGCSA-N 0 0 317.411 0.432 10 0 DCAERN O=C(Nc1ccccc1Cl)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375240599 396720925 /nfs/dbraw/zinc/72/09/25/396720925.db2.gz XRMRSYPCFCNPKR-LLVKDONJSA-N 0 0 323.780 0.822 10 0 DCAERN CCOC(=O)c1cnc(N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000596134330 396722847 /nfs/dbraw/zinc/72/28/47/396722847.db2.gz LWGWFOBLAZVDPO-MRVPVSSYSA-N 0 0 304.393 0.943 10 0 DCAERN CN(CCCO)C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000563860449 396787255 /nfs/dbraw/zinc/78/72/55/396787255.db2.gz WHXXPZSTLILZDI-UHFFFAOYSA-N 0 0 301.346 0.797 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@]2(OCCO)CCOC2)cc1 ZINC000617716522 396787704 /nfs/dbraw/zinc/78/77/04/396787704.db2.gz QCSWIGHKBXORBO-QGZVFWFLSA-N 0 0 323.389 0.912 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@@]2(OCCO)CCOC2)cc1 ZINC000617716521 396787873 /nfs/dbraw/zinc/78/78/73/396787873.db2.gz QCSWIGHKBXORBO-KRWDZBQOSA-N 0 0 323.389 0.912 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000625032747 396751738 /nfs/dbraw/zinc/75/17/38/396751738.db2.gz IVXWWJJEKNKAOT-FZMZJTMJSA-N 0 0 322.409 0.402 10 0 DCAERN Cc1ncc(I)c(=O)n1Cc1ncc[nH]1 ZINC000307715045 396757934 /nfs/dbraw/zinc/75/79/34/396757934.db2.gz FIEFEFIGWJMNPO-UHFFFAOYSA-N 0 0 316.102 0.928 10 0 DCAERN CO[C@@H]1CCCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000590352101 396761890 /nfs/dbraw/zinc/76/18/90/396761890.db2.gz AUUKAPUDWPIMKS-GFCCVEGCSA-N 0 0 319.427 0.232 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(c2ccc(S(C)(=O)=O)cc2F)C1 ZINC000312445211 396764946 /nfs/dbraw/zinc/76/49/46/396764946.db2.gz CNGZKYZUCXXYGS-NXEZZACHSA-N 0 0 303.355 0.815 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000312439427 396765191 /nfs/dbraw/zinc/76/51/91/396765191.db2.gz BWVLEGVUKUTBCY-UWVGGRQHSA-N 0 0 307.318 0.735 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCC([C@@H]3CCCO3)CC2)C1=O ZINC000375532211 396767213 /nfs/dbraw/zinc/76/72/13/396767213.db2.gz PGAXWUHUKFDHDW-LBPRGKRZSA-N 0 0 323.393 0.734 10 0 DCAERN CN(CC(=O)NCC[C@@H](O)C(F)F)C(=O)c1cccs1 ZINC000633994838 396767372 /nfs/dbraw/zinc/76/73/72/396767372.db2.gz WEXPFAFFAFUCLQ-MRVPVSSYSA-N 0 0 306.334 0.952 10 0 DCAERN OCCOCCSCc1nnnn1CC1CCOCC1 ZINC000563671686 396767416 /nfs/dbraw/zinc/76/74/16/396767416.db2.gz DRUVIMJNCSHLQU-UHFFFAOYSA-N 0 0 302.400 0.342 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)S(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000625086886 396768421 /nfs/dbraw/zinc/76/84/21/396768421.db2.gz BQDVCWHOHKSVEW-CHWSQXEVSA-N 0 0 318.439 0.684 10 0 DCAERN O=C(CN1CCOCC1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375582056 396776327 /nfs/dbraw/zinc/77/63/27/396776327.db2.gz LXZUUVRCIRBTJQ-LBPRGKRZSA-N 0 0 306.366 0.595 10 0 DCAERN CCN1CCN(C(=O)c2cn(C)nc2C)C[C@H]1c1nccn1C ZINC000328624427 396824378 /nfs/dbraw/zinc/82/43/78/396824378.db2.gz JWHQGEOOHZHJCR-AWEZNQCLSA-N 0 0 316.409 0.981 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCC(S(=O)(=O)NC)CC1 ZINC000600403798 396825281 /nfs/dbraw/zinc/82/52/81/396825281.db2.gz ZVWSKFBNEVJRAD-UHFFFAOYSA-N 0 0 300.384 0.126 10 0 DCAERN CN1CCN(C(=O)[C@@H](O)c2ccccc2)C[C@H]1c1ncc[nH]1 ZINC000328639235 396828703 /nfs/dbraw/zinc/82/87/03/396828703.db2.gz WTSCRVMRJMIRHX-KBPBESRZSA-N 0 0 300.362 0.958 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000375839118 396831921 /nfs/dbraw/zinc/83/19/21/396831921.db2.gz LJSRNYCBGAOCLN-FPMFFAJLSA-N 0 0 320.393 0.704 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000564705916 396858086 /nfs/dbraw/zinc/85/80/86/396858086.db2.gz WFXWGZLLSJUBMN-UHFFFAOYSA-N 0 0 300.318 0.874 10 0 DCAERN CCC[C@H](C(=O)OCC)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431063 396866623 /nfs/dbraw/zinc/86/66/23/396866623.db2.gz KXIWEPUOWVRNOS-CYBMUJFWSA-N 0 0 309.414 0.963 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332762694 396893118 /nfs/dbraw/zinc/89/31/18/396893118.db2.gz WVUSRRBEWCHSSW-AEGPPILISA-N 0 0 323.437 0.613 10 0 DCAERN Cc1noc(C)c1CSCC(=O)N[C@@H]1CCOC[C@@H]1O ZINC000600585003 396893532 /nfs/dbraw/zinc/89/35/32/396893532.db2.gz LXODYZKCFYHJDR-NEPJUHHUSA-N 0 0 300.380 0.791 10 0 DCAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC[C@](F)(CO)C2)C1 ZINC000376313724 396908751 /nfs/dbraw/zinc/90/87/51/396908751.db2.gz JBYOZZHXHQKLNS-CZUORRHYSA-N 0 0 312.385 0.958 10 0 DCAERN Cn1nnc(CNC(=O)N2CCCC[C@H]2c2ccnn2C)n1 ZINC000376382206 396919836 /nfs/dbraw/zinc/91/98/36/396919836.db2.gz CMMZVRRGHFOWKV-NSHDSACASA-N 0 0 304.358 0.380 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cc(F)ccc1Cl ZINC000625595894 396941144 /nfs/dbraw/zinc/94/11/44/396941144.db2.gz ZCLCPIHJYRILSQ-ZJUUUORDSA-N 0 0 309.746 0.907 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cccc(Cl)c1F ZINC000625597281 396942299 /nfs/dbraw/zinc/94/22/99/396942299.db2.gz NPWIJWIFGVLDKN-DTWKUNHWSA-N 0 0 309.746 0.907 10 0 DCAERN O=C(Cc1ccccc1)NCCC(=O)N1CC(n2ccnn2)C1 ZINC000376538950 396944259 /nfs/dbraw/zinc/94/42/59/396944259.db2.gz JVNDTHATTUDPRF-UHFFFAOYSA-N 0 0 313.361 0.410 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@](F)(CO)C1)n1nnnc1C(C)(C)C ZINC000376576358 396947921 /nfs/dbraw/zinc/94/79/21/396947921.db2.gz ZSUPEDXLQADZBC-HZMBPMFUSA-N 0 0 313.377 0.855 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000618321328 396960820 /nfs/dbraw/zinc/96/08/20/396960820.db2.gz IKUZKEDOOWCZPJ-SUHUHFCYSA-N 0 0 316.423 0.327 10 0 DCAERN CN1C[C@@H](C(=O)Nc2cnn(CC(N)=O)c2)Cc2ccccc21 ZINC000376866345 396989461 /nfs/dbraw/zinc/98/94/61/396989461.db2.gz IHWGIISTSKVBML-LBPRGKRZSA-N 0 0 313.361 0.616 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NC[C@@]1(C)CC1(F)F ZINC000618612890 397000116 /nfs/dbraw/zinc/00/01/16/397000116.db2.gz YIHANZUEUUQSNB-SNVBAGLBSA-N 0 0 307.322 0.448 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)O1 ZINC000618675888 397009697 /nfs/dbraw/zinc/00/96/97/397009697.db2.gz JLZGGVHRNDSQIR-IJLUTSLNSA-N 0 0 304.412 0.436 10 0 DCAERN Cc1cnccc1CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677493 397011799 /nfs/dbraw/zinc/01/17/99/397011799.db2.gz LAWZAZAVMABWOS-GFCCVEGCSA-N 0 0 311.407 0.425 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Cl)ccn2)CCN1S(C)(=O)=O ZINC000618681016 397012982 /nfs/dbraw/zinc/01/29/82/397012982.db2.gz HNZKBZNIAFNSES-SECBINFHSA-N 0 0 317.798 0.841 10 0 DCAERN CO[C@@H]1CN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1OC ZINC000328687199 285772648 /nfs/dbraw/zinc/77/26/48/285772648.db2.gz YYCVPPHKSBKIQB-JHJVBQTASA-N 0 0 308.382 0.179 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)nnc1C ZINC000618754395 397022767 /nfs/dbraw/zinc/02/27/67/397022767.db2.gz ACKKNLIHTHJTLV-MNOVXSKESA-N 0 0 322.365 0.280 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1coc(C2CC2)n1 ZINC000618754187 397023018 /nfs/dbraw/zinc/02/30/18/397023018.db2.gz JTSSCLXFUGFJRR-BDAKNGLRSA-N 0 0 323.349 0.738 10 0 DCAERN O=S(=O)(CCC1CC1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000572142917 397027853 /nfs/dbraw/zinc/02/78/53/397027853.db2.gz CVTSDKLVZBWLTD-ZDUSSCGKSA-N 0 0 314.411 0.235 10 0 DCAERN Cc1noc([C@H]2CN(CCS(=O)(=O)N(C)C)C[C@@H](C)O2)n1 ZINC000625912760 397031911 /nfs/dbraw/zinc/03/19/11/397031911.db2.gz HNKYROQEYFNZIP-MWLCHTKSSA-N 0 0 318.399 0.031 10 0 DCAERN O=C(NCC(O)(C1CC1)C1CC1)[C@@H]1CCCCS1(=O)=O ZINC000619030380 397066410 /nfs/dbraw/zinc/06/64/10/397066410.db2.gz KAOQVQOVRWHIPO-LBPRGKRZSA-N 0 0 301.408 0.621 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000630575527 397050838 /nfs/dbraw/zinc/05/08/38/397050838.db2.gz OMFHJVDIGVLQSC-AWEZNQCLSA-N 0 0 319.405 0.817 10 0 DCAERN COc1ncccc1NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000626287679 397129344 /nfs/dbraw/zinc/12/93/44/397129344.db2.gz IYFUHVJQHWQGSH-GHMZBOCLSA-N 0 0 304.310 0.131 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1noc(-c2cccs2)n1 ZINC000573228529 397148252 /nfs/dbraw/zinc/14/82/52/397148252.db2.gz NBGKIMIMPDRLGS-UHFFFAOYSA-N 0 0 322.346 0.273 10 0 DCAERN Cc1csc(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)n1 ZINC000377913341 397164138 /nfs/dbraw/zinc/16/41/38/397164138.db2.gz MRGYECKEPVICBL-SECBINFHSA-N 0 0 318.424 0.143 10 0 DCAERN CS(=O)(=O)CCCC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000377616399 397113785 /nfs/dbraw/zinc/11/37/85/397113785.db2.gz SXCZNIWIHGFNHQ-ZDUSSCGKSA-N 0 0 324.402 0.733 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccn(C)n1 ZINC000626497730 397176912 /nfs/dbraw/zinc/17/69/12/397176912.db2.gz SQYGWVYPXABIJZ-UHFFFAOYSA-N 0 0 323.397 0.192 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598159726 397180985 /nfs/dbraw/zinc/18/09/85/397180985.db2.gz PKQRMLRTQZNDBM-CQSZACIVSA-N 0 0 300.355 0.082 10 0 DCAERN CSCC(C)(C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000598216240 397189986 /nfs/dbraw/zinc/18/99/86/397189986.db2.gz RDNAYHNCJJSAEQ-SNVBAGLBSA-N 0 0 308.469 0.868 10 0 DCAERN CC(C)(C)OC(=O)c1cnc(C(=O)NCC2(CO)CC2)cn1 ZINC000619808611 397195683 /nfs/dbraw/zinc/19/56/83/397195683.db2.gz YDEQZOZRHSMROY-UHFFFAOYSA-N 0 0 307.350 0.934 10 0 DCAERN CCN1CC[C@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1=O ZINC000619829379 397199650 /nfs/dbraw/zinc/19/96/50/397199650.db2.gz WDCJUTCVMPGYCB-NSHDSACASA-N 0 0 313.398 0.980 10 0 DCAERN COc1ccc(C(=O)N2C[C@@H](O)C3(CC3)C2)cc1-n1cnnn1 ZINC000364443989 397203074 /nfs/dbraw/zinc/20/30/74/397203074.db2.gz LSGACNBTSLASLD-CYBMUJFWSA-N 0 0 315.333 0.268 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000619984914 397220183 /nfs/dbraw/zinc/22/01/83/397220183.db2.gz OAZOXZGDDYLXFH-KGLIPLIRSA-N 0 0 324.425 0.602 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619988311 397220921 /nfs/dbraw/zinc/22/09/21/397220921.db2.gz WESUEWIMRWNYJD-ZIAGYGMSSA-N 0 0 324.425 0.459 10 0 DCAERN COCc1cncc(C(=O)Nc2n[nH]c(CC(=O)OC)n2)c1 ZINC000613234171 397224499 /nfs/dbraw/zinc/22/44/99/397224499.db2.gz MZULREJPIZJRIU-UHFFFAOYSA-N 0 0 305.294 0.314 10 0 DCAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCN2CCOC[C@@H]2C1 ZINC000364594819 397225411 /nfs/dbraw/zinc/22/54/11/397225411.db2.gz XWMXREOQAWIEJU-DZGCQCFKSA-N 0 0 316.361 0.118 10 0 DCAERN NC(=O)[C@@]1(NC(=O)c2c(Cl)nc3ccccn32)CCCOC1 ZINC000378294729 397225705 /nfs/dbraw/zinc/22/57/05/397225705.db2.gz OFPLDMCPLUZAIF-CQSZACIVSA-N 0 0 322.752 0.752 10 0 DCAERN COC[C@@H](C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364608966 397227011 /nfs/dbraw/zinc/22/70/11/397227011.db2.gz WLXKCLBFPKBUNC-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCCc1ccc(F)cc1F ZINC000574012198 397227374 /nfs/dbraw/zinc/22/73/74/397227374.db2.gz IMEOMAJMYUZHKY-UHFFFAOYSA-N 0 0 310.308 0.872 10 0 DCAERN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C)C1 ZINC000574465598 397271439 /nfs/dbraw/zinc/27/14/39/397271439.db2.gz ZHSFGMGQXWWKPR-LBPRGKRZSA-N 0 0 317.397 0.711 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cccc([S@](C)=O)c2)C1 ZINC000613713662 397306583 /nfs/dbraw/zinc/30/65/83/397306583.db2.gz SMDHMOWDVIXQHQ-YTEVENLXSA-N 0 0 323.418 0.958 10 0 DCAERN CC1(C)C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)CO1 ZINC000396487873 397310792 /nfs/dbraw/zinc/31/07/92/397310792.db2.gz AQWONTBZUOONFV-MRVPVSSYSA-N 0 0 304.393 0.693 10 0 DCAERN CC1(C)C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)CO1 ZINC000396504887 397310831 /nfs/dbraw/zinc/31/08/31/397310831.db2.gz LWSIYDKWDCWZED-MRVPVSSYSA-N 0 0 318.420 0.622 10 0 DCAERN Cc1cccc([C@@H]2CCCN2C(=O)CN2CCOCC2=O)n1 ZINC000365751123 397311474 /nfs/dbraw/zinc/31/14/74/397311474.db2.gz ARTRVKTVWBHGNF-AWEZNQCLSA-N 0 0 303.362 0.912 10 0 DCAERN Cn1ncc(N[C@H]2CCNC(=O)CC2)c(Br)c1=O ZINC000396739861 397311628 /nfs/dbraw/zinc/31/16/28/397311628.db2.gz CFCLFOYYLCRSRZ-SSDOTTSWSA-N 0 0 315.171 0.623 10 0 DCAERN Cn1ncc(N[C@@H]2CCNC(=O)CC2)c(Br)c1=O ZINC000396739863 397311862 /nfs/dbraw/zinc/31/18/62/397311862.db2.gz CFCLFOYYLCRSRZ-ZETCQYMHSA-N 0 0 315.171 0.623 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000407957432 397336316 /nfs/dbraw/zinc/33/63/16/397336316.db2.gz OUAAOFXCZULDEQ-UHFFFAOYSA-N 0 0 310.375 0.788 10 0 DCAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407958840 397337316 /nfs/dbraw/zinc/33/73/16/397337316.db2.gz TWBIQMIJINXFDR-ZDUSSCGKSA-N 0 0 319.405 0.468 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000407959725 397337371 /nfs/dbraw/zinc/33/73/71/397337371.db2.gz SVOCZOBBSXAMOJ-UHFFFAOYSA-N 0 0 321.421 0.714 10 0 DCAERN O=C(NC1CCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000407963549 397338768 /nfs/dbraw/zinc/33/87/68/397338768.db2.gz PRNJEPHKWJHYGG-UHFFFAOYSA-N 0 0 313.379 0.318 10 0 DCAERN C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000407968598 397340935 /nfs/dbraw/zinc/34/09/35/397340935.db2.gz VRDWKKZKTZUJKL-JHJVBQTASA-N 0 0 316.467 0.759 10 0 DCAERN CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602207973 397344719 /nfs/dbraw/zinc/34/47/19/397344719.db2.gz CGILAIQUSMDVPU-GFCCVEGCSA-N 0 0 319.336 0.655 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC000408039413 397345083 /nfs/dbraw/zinc/34/50/83/397345083.db2.gz XJIBGROOEGLZRB-AJNGGQMLSA-N 0 0 324.421 0.897 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000408023372 397345392 /nfs/dbraw/zinc/34/53/92/397345392.db2.gz RAVGHPWZLWJVSX-RYUDHWBXSA-N 0 0 306.428 0.889 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408381997 397355673 /nfs/dbraw/zinc/35/56/73/397355673.db2.gz AZIGXJMVLBGHDB-DTWKUNHWSA-N 0 0 306.819 0.787 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401781397 397322225 /nfs/dbraw/zinc/32/22/25/397322225.db2.gz BJSZPGGJIXBUJJ-YUMQZZPRSA-N 0 0 320.392 0.321 10 0 DCAERN O=C(Nc1cccnc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000365853315 397324895 /nfs/dbraw/zinc/32/48/95/397324895.db2.gz LCCIAJZOJKNUMY-ZDUSSCGKSA-N 0 0 304.350 0.983 10 0 DCAERN CCc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)[nH]n1 ZINC000365855223 397326721 /nfs/dbraw/zinc/32/67/21/397326721.db2.gz MVWPHXZXIGIWPE-GFCCVEGCSA-N 0 0 306.366 0.482 10 0 DCAERN Cn1ccc(N2CC[C@@H](NC(=O)c3cccc(CO)c3)C2)n1 ZINC000365882290 397328609 /nfs/dbraw/zinc/32/86/09/397328609.db2.gz UYWABBLWSWSNKO-CQSZACIVSA-N 0 0 300.362 0.921 10 0 DCAERN CCOc1ncnc2c1CN(C[C@@H](O)Cn1cccn1)CC2 ZINC000368845567 397428796 /nfs/dbraw/zinc/42/87/96/397428796.db2.gz MXJHSMLPOXZCJO-GFCCVEGCSA-N 0 0 303.366 0.491 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000468267834 397447132 /nfs/dbraw/zinc/44/71/32/397447132.db2.gz JPVFJTDJJFDVOW-GARJFASQSA-N 0 0 307.412 0.508 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccoc1 ZINC000487137569 397466920 /nfs/dbraw/zinc/46/69/20/397466920.db2.gz LTUGTCFVNQKDCN-QWRGUYRKSA-N 0 0 310.350 0.785 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NC[C@H](O)C2CCOCC2)[nH]n1 ZINC000487538408 397475725 /nfs/dbraw/zinc/47/57/25/397475725.db2.gz MESXELQQRVXLMI-YGRLFVJLSA-N 0 0 310.398 0.736 10 0 DCAERN Cn1cc([C@H](NC(=O)[C@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000487746639 397477678 /nfs/dbraw/zinc/47/76/78/397477678.db2.gz DYXYPEDNGKPLFF-XVKPBYJWSA-N 0 0 304.272 0.666 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(OC)CCC1 ZINC000488313514 397488973 /nfs/dbraw/zinc/48/89/73/397488973.db2.gz NIDMYZNVQYXRSQ-UWVGGRQHSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@H](OC)C[C@H]2CO)s1 ZINC000602828945 397496005 /nfs/dbraw/zinc/49/60/05/397496005.db2.gz RINKSURIPVAAJX-VHSXEESVSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCn1cccn1 ZINC000488244237 397488151 /nfs/dbraw/zinc/48/81/51/397488151.db2.gz BQDDJRCIOVYORL-NWDGAFQWSA-N 0 0 324.381 0.236 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)CCO1 ZINC000578918920 397502750 /nfs/dbraw/zinc/50/27/50/397502750.db2.gz OIELRPTZHBEKFN-LBPRGKRZSA-N 0 0 321.333 0.279 10 0 DCAERN COC(=O)c1cn([C@H]2CCN(Cc3ccnc(C)n3)C2)nn1 ZINC000370672523 397513155 /nfs/dbraw/zinc/51/31/55/397513155.db2.gz FQHBHKIFNSERCF-LBPRGKRZSA-N 0 0 302.338 0.610 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)NC[C@@](C)(O)CO ZINC000579428220 397566139 /nfs/dbraw/zinc/56/61/39/397566139.db2.gz RWJZSODTQCHVQF-OAHLLOKOSA-N 0 0 307.350 0.460 10 0 DCAERN CCOCCN(CC)C(=O)NCCCN1CCCS1(=O)=O ZINC000594302770 397524220 /nfs/dbraw/zinc/52/42/20/397524220.db2.gz VFMKOODECGDLAK-UHFFFAOYSA-N 0 0 321.443 0.480 10 0 DCAERN CC[C@H]1COCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000604649630 397646090 /nfs/dbraw/zinc/64/60/90/397646090.db2.gz QKSSJWZYKZWBSP-LBPRGKRZSA-N 0 0 319.427 0.232 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)CC(=O)N3C)cn1 ZINC000579973860 397602464 /nfs/dbraw/zinc/60/24/64/397602464.db2.gz OHOUOPVMQQUAOA-UHFFFAOYSA-N 0 0 300.318 0.957 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)n1 ZINC000608246082 397723097 /nfs/dbraw/zinc/72/30/97/397723097.db2.gz BMOLPEATSXYKIU-SMDDNHRTSA-N 0 0 318.381 0.580 10 0 DCAERN Cn1c(C(=O)NCCCC2CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000605560975 397667744 /nfs/dbraw/zinc/66/77/44/397667744.db2.gz LMPIDZHAQIVYJH-UHFFFAOYSA-N 0 0 318.377 0.496 10 0 DCAERN Cc1nnc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)o1 ZINC000606231870 397678429 /nfs/dbraw/zinc/67/84/29/397678429.db2.gz PNPCNIFYDAOAOS-ZDUSSCGKSA-N 0 0 308.382 0.634 10 0 DCAERN C[C@@H]1CN(CCNS(=O)(=O)c2ccc(O)cc2)C[C@@H](C)O1 ZINC000606302418 397678827 /nfs/dbraw/zinc/67/88/27/397678827.db2.gz FHFQSHOGCVZQNR-VXGBXAGGSA-N 0 0 314.407 0.780 10 0 DCAERN Cn1ccnc(N2CCN(Cc3nccn3C(F)F)CC2)c1=O ZINC000608080972 397715556 /nfs/dbraw/zinc/71/55/56/397715556.db2.gz HYLAEOABIXJANP-UHFFFAOYSA-N 0 0 324.335 0.694 10 0 DCAERN COC(=O)[C@H]1CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000608975554 397759676 /nfs/dbraw/zinc/75/96/76/397759676.db2.gz UGPLEEKHEMDBIG-VIFPVBQESA-N 0 0 305.338 0.454 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1cn2cccnc2n1)c1ccccn1 ZINC000610299796 397813072 /nfs/dbraw/zinc/81/30/72/397813072.db2.gz UNAUYFKZBJMONR-LBPRGKRZSA-N 0 0 311.301 0.768 10 0 DCAERN CC[C@@H](O)CCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000608664428 397742844 /nfs/dbraw/zinc/74/28/44/397742844.db2.gz AHKSCXMHINFYIA-GFCCVEGCSA-N 0 0 321.443 0.262 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(C3CC3)C(=O)C2)n1 ZINC000610499516 397827235 /nfs/dbraw/zinc/82/72/35/397827235.db2.gz WRBJDKGGQJGIPU-UHFFFAOYSA-N 0 0 303.318 0.315 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000159117757 545859197 /nfs/dbraw/zinc/85/91/97/545859197.db2.gz RDLIDSVGUKVTFP-LLVKDONJSA-N 0 0 309.366 0.676 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CC(=O)N[C@H](C)C3)cnc2n1 ZINC000408462470 292304144 /nfs/dbraw/zinc/30/41/44/292304144.db2.gz DFCOUIBWKYJNRH-SECBINFHSA-N 0 0 300.318 0.604 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000329537364 304403573 /nfs/dbraw/zinc/40/35/73/304403573.db2.gz UXNHBCSNYIUEGM-BTQIBKBOSA-N 0 0 309.284 0.564 10 0 DCAERN COCCCS(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000370704473 292369643 /nfs/dbraw/zinc/36/96/43/292369643.db2.gz ZLPIXADYNRNLDT-CYBMUJFWSA-N 0 0 307.412 0.623 10 0 DCAERN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccncc1 ZINC000027405407 157983284 /nfs/dbraw/zinc/98/32/84/157983284.db2.gz KQOFFNGXOMGLRT-HWPZZCPQSA-N 0 0 316.361 0.979 10 0 DCAERN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccncc1 ZINC000027405410 157983294 /nfs/dbraw/zinc/98/32/94/157983294.db2.gz KQOFFNGXOMGLRT-QFYYESIMSA-N 0 0 316.361 0.979 10 0 DCAERN CN(C)C(=O)CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000048042952 158005796 /nfs/dbraw/zinc/00/57/96/158005796.db2.gz MVKBZHFFDLGCBC-UHFFFAOYSA-N 0 0 305.382 0.438 10 0 DCAERN COC(=O)CCCS(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000049062854 158009400 /nfs/dbraw/zinc/00/94/00/158009400.db2.gz YDUMUPSALSETTM-UHFFFAOYSA-N 0 0 308.400 0.116 10 0 DCAERN CC(C)(C)OC[C@H](O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000053402677 158018947 /nfs/dbraw/zinc/01/89/47/158018947.db2.gz GFSRPCZSZVRHQW-CQSZACIVSA-N 0 0 313.442 0.059 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000054150863 158019852 /nfs/dbraw/zinc/01/98/52/158019852.db2.gz PAMLPFHYOLAGKQ-GFCCVEGCSA-N 0 0 324.402 0.938 10 0 DCAERN CC(C)(NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)C(N)=O ZINC000057050182 158024052 /nfs/dbraw/zinc/02/40/52/158024052.db2.gz STBYEGHAMJDACP-ZDUSSCGKSA-N 0 0 317.389 0.458 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000062975786 158029912 /nfs/dbraw/zinc/02/99/12/158029912.db2.gz BITVLXJQSMLMSL-CYBMUJFWSA-N 0 0 311.407 0.364 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000065901723 158034472 /nfs/dbraw/zinc/03/44/72/158034472.db2.gz ASANAHBYDMICDC-GFCCVEGCSA-N 0 0 309.410 0.620 10 0 DCAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCNC(=O)CC1 ZINC000065903234 158034934 /nfs/dbraw/zinc/03/49/34/158034934.db2.gz WBEFOUJWOJKAHV-ZDUSSCGKSA-N 0 0 323.418 0.851 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[nH]c1=O ZINC000067315339 158039285 /nfs/dbraw/zinc/03/92/85/158039285.db2.gz CQOLAZLPWUAMNI-AWEZNQCLSA-N 0 0 313.357 0.804 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000068096994 158042572 /nfs/dbraw/zinc/04/25/72/158042572.db2.gz JRBGNRKGIDOGAT-QWRGUYRKSA-N 0 0 316.423 0.456 10 0 DCAERN O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069145313 158044788 /nfs/dbraw/zinc/04/47/88/158044788.db2.gz PAQZQADTBVLXJB-VIFPVBQESA-N 0 0 305.377 0.248 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)s1 ZINC000071349293 158048738 /nfs/dbraw/zinc/04/87/38/158048738.db2.gz QYUXZEBOSRJVQJ-UHFFFAOYSA-N 0 0 318.464 0.999 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NN3CCOCC3)CC2=O)cc1 ZINC000072967218 158053456 /nfs/dbraw/zinc/05/34/56/158053456.db2.gz ZDAXFHQZHBPTFS-CYBMUJFWSA-N 0 0 303.362 0.711 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NN3CCOCC3)CC2=O)cc1 ZINC000072967219 158054240 /nfs/dbraw/zinc/05/42/40/158054240.db2.gz ZDAXFHQZHBPTFS-ZDUSSCGKSA-N 0 0 303.362 0.711 10 0 DCAERN O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@H]2CSCN2)CC1 ZINC000075051652 158060771 /nfs/dbraw/zinc/06/07/71/158060771.db2.gz BXMCPAALUPSVPN-GFCCVEGCSA-N 0 0 308.407 0.352 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000075573901 158061951 /nfs/dbraw/zinc/06/19/51/158061951.db2.gz ZSUUNXHUGAVRFU-STQMWFEESA-N 0 0 324.450 0.949 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000076708633 158064962 /nfs/dbraw/zinc/06/49/62/158064962.db2.gz MOZHYFNQNHEDMK-HIFRSBDPSA-N 0 0 310.442 0.140 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NCc2ccnn2C)c1 ZINC000077586369 158069051 /nfs/dbraw/zinc/06/90/51/158069051.db2.gz KSMLILZNIOOZJC-UHFFFAOYSA-N 0 0 315.377 0.822 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)n(C)n1 ZINC000077768840 158070479 /nfs/dbraw/zinc/07/04/79/158070479.db2.gz IXGNIOCIAKHTTJ-QYJAPNMZSA-N 0 0 306.366 0.286 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@](C)(O)CCC(C)C)n(C)n1 ZINC000077929382 158071775 /nfs/dbraw/zinc/07/17/75/158071775.db2.gz IHKLPAYULFZUIV-OAHLLOKOSA-N 0 0 310.398 0.970 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)c1cn(CC(N)=O)nn1 ZINC000080090199 158080075 /nfs/dbraw/zinc/08/00/75/158080075.db2.gz KEXZNCPSDRDMIO-LLVKDONJSA-N 0 0 309.370 0.185 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084880219 158088222 /nfs/dbraw/zinc/08/82/22/158088222.db2.gz ZJLPTNCMSAYQKG-BXKDBHETSA-N 0 0 301.412 0.651 10 0 DCAERN CC(C)[C@@H](NC(=O)Cc1ccccc1O)C(=O)N1CCOCC1 ZINC000084410537 158089225 /nfs/dbraw/zinc/08/92/25/158089225.db2.gz GEFGYLYVDSKSCL-MRXNPFEDSA-N 0 0 320.389 0.934 10 0 DCAERN CC(C)[C@@H](NC(=O)C[C@@H]1CCCCO1)C(=O)N1CCOCC1 ZINC000087377208 158091796 /nfs/dbraw/zinc/09/17/96/158091796.db2.gz AVKPDLPVLWAFDN-DZGCQCFKSA-N 0 0 312.410 0.945 10 0 DCAERN CC(=O)NCC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000087142359 158092027 /nfs/dbraw/zinc/09/20/27/158092027.db2.gz BECBXUYPTDHWFY-ZDUSSCGKSA-N 0 0 318.377 0.703 10 0 DCAERN C[C@@](O)(CO)CNC(=O)COc1ccc(Br)cc1 ZINC000090283975 158103151 /nfs/dbraw/zinc/10/31/51/158103151.db2.gz CCKCAJDWKLBUHB-LBPRGKRZSA-N 0 0 318.167 0.687 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(-c2ccco2)on1 ZINC000090698325 158104696 /nfs/dbraw/zinc/10/46/96/158104696.db2.gz YCZZBMSDHIVYMX-LLVKDONJSA-N 0 0 302.334 0.664 10 0 DCAERN CCCCN(CC(N)=O)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091018964 158106579 /nfs/dbraw/zinc/10/65/79/158106579.db2.gz YQCYZZZZWAAVGW-UHFFFAOYSA-N 0 0 316.361 0.731 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ncnn1C ZINC000091182418 158106994 /nfs/dbraw/zinc/10/69/94/158106994.db2.gz DJDZVNCTXSNVLA-GFCCVEGCSA-N 0 0 316.365 0.636 10 0 DCAERN COc1ccc(CCCC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091778841 158108869 /nfs/dbraw/zinc/10/88/69/158108869.db2.gz FBGSDDZXUZFXGN-AWEZNQCLSA-N 0 0 306.362 0.731 10 0 DCAERN CCOc1ccc2cc(C(=O)N3CCOC[C@@H]3C(N)=O)[nH]c2c1 ZINC000091778956 158109754 /nfs/dbraw/zinc/10/97/54/158109754.db2.gz BPTCFKHAIAZXHM-CQSZACIVSA-N 0 0 317.345 0.893 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091779501 158109861 /nfs/dbraw/zinc/10/98/61/158109861.db2.gz MGVIDGOXEGQPKX-MARXPDLDSA-N 0 0 304.346 0.811 10 0 DCAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091780863 158109871 /nfs/dbraw/zinc/10/98/71/158109871.db2.gz FENXXSZRVJZJFC-NSHDSACASA-N 0 0 319.317 0.498 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1F ZINC000091785692 158110438 /nfs/dbraw/zinc/11/04/38/158110438.db2.gz SOCJKNFRJQYQOU-SNVBAGLBSA-N 0 0 300.261 0.056 10 0 DCAERN Cn1cnc(CNS(=O)(=O)c2cccc3ncccc32)n1 ZINC000092265124 158111907 /nfs/dbraw/zinc/11/19/07/158111907.db2.gz IJCQATCYXAHNBH-UHFFFAOYSA-N 0 0 303.347 0.842 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC000092771977 158115557 /nfs/dbraw/zinc/11/55/57/158115557.db2.gz SXPCHVUDTZORAZ-GFCCVEGCSA-N 0 0 311.407 0.852 10 0 DCAERN Cc1cc(C)n2c(CN3CCc4nn(C)c(=O)cc4C3)cnc2n1 ZINC000093756366 158121396 /nfs/dbraw/zinc/12/13/96/158121396.db2.gz TZBFUTDIPYWHBL-UHFFFAOYSA-N 0 0 324.388 0.998 10 0 DCAERN CCOCCOCC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000098035729 158125894 /nfs/dbraw/zinc/12/58/94/158125894.db2.gz SZCVOFBIFXYBJF-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN Cc1noc(CCC(=O)N2CCCN(c3cccnn3)CC2)n1 ZINC000105810708 158130215 /nfs/dbraw/zinc/13/02/15/158130215.db2.gz GTDHFMXEYAONAB-UHFFFAOYSA-N 0 0 316.365 0.840 10 0 DCAERN CCCCNC(=O)CN1CCCN(Cc2noc(C)n2)CC1 ZINC000105866604 158130895 /nfs/dbraw/zinc/13/08/95/158130895.db2.gz OMQDODMBMIZWDG-UHFFFAOYSA-N 0 0 309.414 0.802 10 0 DCAERN Cn1ccnc1CC1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000105875863 158131236 /nfs/dbraw/zinc/13/12/36/158131236.db2.gz XFDPRLYLRNAPEC-UHFFFAOYSA-N 0 0 302.386 0.224 10 0 DCAERN CCOc1cc(C)nc(N2CCN(CCC(=O)OC)CC2)n1 ZINC000105917348 158132259 /nfs/dbraw/zinc/13/22/59/158132259.db2.gz IOBNJGPYGGUDPJ-UHFFFAOYSA-N 0 0 308.382 0.869 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)CCOC)C1 ZINC000106378735 158134351 /nfs/dbraw/zinc/13/43/51/158134351.db2.gz MHTFCXXCLZMREM-LLVKDONJSA-N 0 0 302.400 0.454 10 0 DCAERN Cc1nc(C)c(CCNC(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000108441456 158136090 /nfs/dbraw/zinc/13/60/90/158136090.db2.gz OLBYRPMWJNMZGQ-LBPRGKRZSA-N 0 0 312.439 0.932 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000109760856 158137943 /nfs/dbraw/zinc/13/79/43/158137943.db2.gz DCQIZUNMRXJUFY-CABCVRRESA-N 0 0 320.389 0.643 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000110817341 158138785 /nfs/dbraw/zinc/13/87/85/158138785.db2.gz WRFJEQJCIXZBJF-ZDUSSCGKSA-N 0 0 320.393 0.020 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)no1 ZINC000109923229 158138790 /nfs/dbraw/zinc/13/87/90/158138790.db2.gz BFDDWPNKRXALJD-UHFFFAOYSA-N 0 0 302.338 0.516 10 0 DCAERN Cc1nc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)no1 ZINC000111241446 158140708 /nfs/dbraw/zinc/14/07/08/158140708.db2.gz UQVPAKZSTMQNJJ-UHFFFAOYSA-N 0 0 321.425 0.754 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112662362 158144210 /nfs/dbraw/zinc/14/42/10/158144210.db2.gz WCGQIFDCMSGTSL-NSHDSACASA-N 0 0 314.411 0.170 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000114029928 158150373 /nfs/dbraw/zinc/15/03/73/158150373.db2.gz ZGPOPYGPEZHKGU-LBPRGKRZSA-N 0 0 308.382 0.015 10 0 DCAERN O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114312196 158151317 /nfs/dbraw/zinc/15/13/17/158151317.db2.gz AYQSROGYTGSKNF-CQSZACIVSA-N 0 0 315.373 0.921 10 0 DCAERN COCCOCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114312218 158151972 /nfs/dbraw/zinc/15/19/72/158151972.db2.gz OUDWWXWAZYWYPM-CQSZACIVSA-N 0 0 306.362 0.961 10 0 DCAERN Nc1nccnc1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114678188 158156220 /nfs/dbraw/zinc/15/62/20/158156220.db2.gz XRYJAKPVNKQINB-QMMMGPOBSA-N 0 0 318.362 0.759 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000114862260 158157490 /nfs/dbraw/zinc/15/74/90/158157490.db2.gz ZMFSSYDBNSSWKJ-SNVBAGLBSA-N 0 0 307.398 0.434 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NCCn2cccn2)cc1 ZINC000114909463 158159023 /nfs/dbraw/zinc/15/90/23/158159023.db2.gz OTYSUSOXWGYQLK-UHFFFAOYSA-N 0 0 323.378 0.030 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114939720 158160178 /nfs/dbraw/zinc/16/01/78/158160178.db2.gz VYTBKGJBWCCWAB-NSHDSACASA-N 0 0 322.413 0.371 10 0 DCAERN CCC[C@H](O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000114922664 158160577 /nfs/dbraw/zinc/16/05/77/158160577.db2.gz UIXGOYGGDWGIPP-ZDUSSCGKSA-N 0 0 307.398 0.906 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@@H]1CC)CC2 ZINC000115830573 158162844 /nfs/dbraw/zinc/16/28/44/158162844.db2.gz WVTBEDVYWBDHRR-NEPJUHHUSA-N 0 0 307.398 0.976 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116417245 158166178 /nfs/dbraw/zinc/16/61/78/158166178.db2.gz KNOYTENSEOXIBM-SNVBAGLBSA-N 0 0 301.368 0.675 10 0 DCAERN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833971 158166907 /nfs/dbraw/zinc/16/69/07/158166907.db2.gz PCQHCUXEFWPJKC-AGIUHOORSA-N 0 0 318.439 0.732 10 0 DCAERN COCCN1CCN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C ZINC000117287569 158170212 /nfs/dbraw/zinc/17/02/12/158170212.db2.gz YYDMAIGDDWMIKC-GFCCVEGCSA-N 0 0 305.378 0.578 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCOC)CCN1CCOC ZINC000117371860 158171372 /nfs/dbraw/zinc/17/13/72/158171372.db2.gz KDFPLNPJCIJNER-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@H]1C ZINC000117369384 158171577 /nfs/dbraw/zinc/17/15/77/158171577.db2.gz DXVCRVWVLRSRRC-CHWSQXEVSA-N 0 0 306.428 0.005 10 0 DCAERN Cn1cc(N2CC[C@H](Nc3cc(=O)n4ccccc4n3)C2=O)cn1 ZINC000117867482 158174545 /nfs/dbraw/zinc/17/45/45/158174545.db2.gz BXWYASYEEIYDLA-LBPRGKRZSA-N 0 0 324.344 0.645 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1C ZINC000117925355 158174887 /nfs/dbraw/zinc/17/48/87/158174887.db2.gz CMTPXZZCAHHKHB-STQMWFEESA-N 0 0 308.444 0.394 10 0 DCAERN O=C(CN1CC=C(c2cccs2)CC1)N1CCNC(=O)C1 ZINC000117895345 158174922 /nfs/dbraw/zinc/17/49/22/158174922.db2.gz YKHLJLOMEBZUBT-UHFFFAOYSA-N 0 0 305.403 0.796 10 0 DCAERN C[C@H]1SCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@H]1C ZINC000118289496 158175694 /nfs/dbraw/zinc/17/56/94/158175694.db2.gz ZLPOFONFEBNMDD-VHSXEESVSA-N 0 0 321.406 0.482 10 0 DCAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2cccnc2)c1 ZINC000118069238 158176477 /nfs/dbraw/zinc/17/64/77/158176477.db2.gz NYJIEIKFZAFMGN-UHFFFAOYSA-N 0 0 302.338 0.524 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1nc2ccccc2[nH]1 ZINC000118753850 158178734 /nfs/dbraw/zinc/17/87/34/158178734.db2.gz XOSDICWRXXXLRK-UHFFFAOYSA-N 0 0 301.306 0.832 10 0 DCAERN CO[C@H](C)CC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119907509 158190374 /nfs/dbraw/zinc/19/03/74/158190374.db2.gz MJSRCVUIGGSPRO-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1[nH]ccc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119916121 158191055 /nfs/dbraw/zinc/19/10/55/158191055.db2.gz UDTSVTTYHCQHIN-LBPRGKRZSA-N 0 0 311.407 0.963 10 0 DCAERN Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1C(N)=O ZINC000120100734 158193231 /nfs/dbraw/zinc/19/32/31/158193231.db2.gz YYXDMCPIARGBLB-LLVKDONJSA-N 0 0 314.349 0.822 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120070989 158193614 /nfs/dbraw/zinc/19/36/14/158193614.db2.gz OHEUOFVREJQBAF-BLLLJJGKSA-N 0 0 305.378 0.891 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)COCCOc1ccccc1 ZINC000120337125 158197074 /nfs/dbraw/zinc/19/70/74/158197074.db2.gz VTVKXQFYSRYMFC-CQSZACIVSA-N 0 0 306.362 0.819 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1F ZINC000120510882 158199676 /nfs/dbraw/zinc/19/96/76/158199676.db2.gz SSAJTXUKVSRMCX-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN CCc1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]1 ZINC000120621361 158200349 /nfs/dbraw/zinc/20/03/49/158200349.db2.gz NVJLCDZEAYMDNP-CQSZACIVSA-N 0 0 305.338 0.631 10 0 DCAERN O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC000120774585 158204180 /nfs/dbraw/zinc/20/41/80/158204180.db2.gz JSBOPEUSHOJRRT-LLVKDONJSA-N 0 0 312.395 0.603 10 0 DCAERN O=C1CN(Cc2nc(COc3ccc(F)cc3)no2)C(=O)N1 ZINC000121461769 158210299 /nfs/dbraw/zinc/21/02/99/158210299.db2.gz BBIZEZOCCGDCAB-UHFFFAOYSA-N 0 0 306.253 0.840 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121769199 158214607 /nfs/dbraw/zinc/21/46/07/158214607.db2.gz JVRQSLZVRVUFPV-SNVBAGLBSA-N 0 0 301.416 0.852 10 0 DCAERN CCC1(CO)CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000121783703 158215125 /nfs/dbraw/zinc/21/51/25/158215125.db2.gz JGDDOERZZIEEBO-GFCCVEGCSA-N 0 0 307.398 0.787 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)CCS1(=O)=O ZINC000121905828 158216315 /nfs/dbraw/zinc/21/63/15/158216315.db2.gz AARBCQMKGRAFOF-LLVKDONJSA-N 0 0 316.423 0.328 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122569093 158221714 /nfs/dbraw/zinc/22/17/14/158221714.db2.gz CWULVFBBXUJJHY-WCQYABFASA-N 0 0 305.382 0.428 10 0 DCAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)N1CCCCCC1 ZINC000123657117 158233307 /nfs/dbraw/zinc/23/33/07/158233307.db2.gz PNLDWKRPOGQVPW-CQSZACIVSA-N 0 0 317.455 0.560 10 0 DCAERN CC[C@H](CO)NC(=O)C1CCN(c2nccc(OC)n2)CC1 ZINC000123843269 158233704 /nfs/dbraw/zinc/23/37/04/158233704.db2.gz GGYMSOPRJDACIO-GFCCVEGCSA-N 0 0 308.382 0.589 10 0 DCAERN CCOc1c(F)cccc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000124422029 158242453 /nfs/dbraw/zinc/24/24/53/158242453.db2.gz CUGGDMPSHXZRSB-LLVKDONJSA-N 0 0 324.352 0.890 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000124571654 158243507 /nfs/dbraw/zinc/24/35/07/158243507.db2.gz TZZNTWGWEMUNGU-CHWSQXEVSA-N 0 0 313.423 0.219 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H]1CCCC[C@H]1CO ZINC000124546300 158244154 /nfs/dbraw/zinc/24/41/54/158244154.db2.gz XAWIBZDKXDCVPI-SDDRHHMPSA-N 0 0 304.412 0.414 10 0 DCAERN Cc1cncc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c1 ZINC000124997997 158249748 /nfs/dbraw/zinc/24/97/48/158249748.db2.gz AMMYRVLSIAGJNR-UHFFFAOYSA-N 0 0 324.340 0.710 10 0 DCAERN Cn1cccc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000125101183 158250622 /nfs/dbraw/zinc/25/06/22/158250622.db2.gz BCGNEYZZQIIUDV-CYBMUJFWSA-N 0 0 305.378 0.736 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000126998012 158270375 /nfs/dbraw/zinc/27/03/75/158270375.db2.gz RHUXWPWINKAKHE-AAEUAGOBSA-N 0 0 310.419 0.953 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000127310313 158272522 /nfs/dbraw/zinc/27/25/22/158272522.db2.gz JZVAIRZPTDCSAD-UHFFFAOYSA-N 0 0 319.405 0.922 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCO[C@@H]1CCOC1 ZINC000127350214 158273006 /nfs/dbraw/zinc/27/30/06/158273006.db2.gz DCTMJJRQOVITHP-OLZOCXBDSA-N 0 0 323.397 0.916 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)NCCc1cc(F)ccc1F ZINC000127288111 158273055 /nfs/dbraw/zinc/27/30/55/158273055.db2.gz AKMUZYVAMAPEJZ-AWEZNQCLSA-N 0 0 312.316 0.871 10 0 DCAERN CCOCCOCC(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000128158620 158278534 /nfs/dbraw/zinc/27/85/34/158278534.db2.gz QSZGOLXJDOFEPY-UHFFFAOYSA-N 0 0 305.338 0.962 10 0 DCAERN COCCc1cc(NC(=O)N[C@H]2CCCC[C@H]2C(N)=O)n(C)n1 ZINC000128238240 158279798 /nfs/dbraw/zinc/27/97/98/158279798.db2.gz DRVSQXLUURGZBN-NEPJUHHUSA-N 0 0 323.397 0.775 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000128264590 158279862 /nfs/dbraw/zinc/27/98/62/158279862.db2.gz XLQAFLGNQLGEBW-UHFFFAOYSA-N 0 0 314.345 0.977 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc21 ZINC000128520017 158280904 /nfs/dbraw/zinc/28/09/04/158280904.db2.gz YWGLHNDMBVGPJT-LBPRGKRZSA-N 0 0 309.343 0.652 10 0 DCAERN C[C@H]([NH2+]CC1(O)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000128890815 158283713 /nfs/dbraw/zinc/28/37/13/158283713.db2.gz NYSWKKROXHUCIA-NSHDSACASA-N 0 0 314.407 0.526 10 0 DCAERN CSc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000129078187 158284957 /nfs/dbraw/zinc/28/49/57/158284957.db2.gz QVDJNMMZBOHKJW-ZDUSSCGKSA-N 0 0 310.419 0.831 10 0 DCAERN O=C(N[C@H]1COc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000131307415 158301811 /nfs/dbraw/zinc/30/18/11/158301811.db2.gz UDQGWZVYKWQZEE-PWSUYJOCSA-N 0 0 302.334 0.539 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000131320486 158302248 /nfs/dbraw/zinc/30/22/48/158302248.db2.gz ZJIXGQHNBXCYIV-ZFQMDJOTSA-N 0 0 320.455 0.618 10 0 DCAERN CCc1ncc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)cn1 ZINC000131660241 158304759 /nfs/dbraw/zinc/30/47/59/158304759.db2.gz DUKQECFBPPOJDY-CMPLNLGQSA-N 0 0 306.366 0.645 10 0 DCAERN COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc2cc(F)ccc2o1 ZINC000132207411 158309348 /nfs/dbraw/zinc/30/93/48/158309348.db2.gz QWDAYIWRNVGMSZ-LLVKDONJSA-N 0 0 321.308 0.830 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000132355998 158310253 /nfs/dbraw/zinc/31/02/53/158310253.db2.gz OEEFJXZBVVMAAT-NSHDSACASA-N 0 0 324.381 0.612 10 0 DCAERN Cc1nc(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c(=O)[nH]c1C ZINC000132446778 158311772 /nfs/dbraw/zinc/31/17/72/158311772.db2.gz UFXYEWYFNRUJNI-NSHDSACASA-N 0 0 318.308 0.482 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000133230215 158317025 /nfs/dbraw/zinc/31/70/25/158317025.db2.gz PDBVJPUIYLYHSR-LBPRGKRZSA-N 0 0 320.393 0.709 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)c1cnn(CC)c1 ZINC000133328753 158318531 /nfs/dbraw/zinc/31/85/31/158318531.db2.gz ITPWLLYSRBHWHY-ZDUSSCGKSA-N 0 0 320.393 0.945 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COC[C@@H]1CCOC1)CC2 ZINC000133944770 158323515 /nfs/dbraw/zinc/32/35/15/158323515.db2.gz HWKFJHIFPVCNMD-CHWSQXEVSA-N 0 0 322.409 0.886 10 0 DCAERN COCC(=O)N[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)C(C)C ZINC000134042787 158324479 /nfs/dbraw/zinc/32/44/79/158324479.db2.gz XSGVCJJAWQYROC-BZPMIXESSA-N 0 0 300.399 0.441 10 0 DCAERN CN(C(=O)CN1CC(=O)NC1=O)C1C2CC3CC(C2)CC1C3 ZINC000134594624 158328445 /nfs/dbraw/zinc/32/84/45/158328445.db2.gz SYCNTXZWMSSSLH-UHFFFAOYSA-N 0 0 305.378 0.821 10 0 DCAERN CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1n[nH]cc1C ZINC000134682088 158329933 /nfs/dbraw/zinc/32/99/33/158329933.db2.gz MWRGFYDHHXXWJW-SECBINFHSA-N 0 0 320.440 0.718 10 0 DCAERN Nc1nccnc1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135481418 158337965 /nfs/dbraw/zinc/33/79/65/158337965.db2.gz PNKYOJVOHLHLFQ-LBPRGKRZSA-N 0 0 300.318 0.978 10 0 DCAERN CCc1nc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)no1 ZINC000135688717 158339901 /nfs/dbraw/zinc/33/99/01/158339901.db2.gz AFHFRLOWVFMELX-NSHDSACASA-N 0 0 314.411 0.632 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135752075 158339927 /nfs/dbraw/zinc/33/99/27/158339927.db2.gz ZJPDBTHIMAZEGA-OLZOCXBDSA-N 0 0 306.366 0.754 10 0 DCAERN CCCNC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135730855 158340538 /nfs/dbraw/zinc/34/05/38/158340538.db2.gz CUZDAMJNGYXVFZ-GFCCVEGCSA-N 0 0 303.428 0.013 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000136004955 158341441 /nfs/dbraw/zinc/34/14/41/158341441.db2.gz HYOHKNCLVSWMST-CHWSQXEVSA-N 0 0 312.391 0.757 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CSC(=O)N1)CC2 ZINC000136842238 158343813 /nfs/dbraw/zinc/34/38/13/158343813.db2.gz SRNUHZPWRLGBRC-IUCAKERBSA-N 0 0 309.395 0.658 10 0 DCAERN CCc1nc(CNC(=O)C2=NN(CCO)C(=O)CC2)cs1 ZINC000136984704 158344399 /nfs/dbraw/zinc/34/43/99/158344399.db2.gz QXITWRWAJUCKTI-UHFFFAOYSA-N 0 0 310.379 0.292 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000138630239 158347583 /nfs/dbraw/zinc/34/75/83/158347583.db2.gz RGGJRXQDXLLJKP-LBPRGKRZSA-N 0 0 317.389 0.916 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCCc1c[nH]nn1)CC2 ZINC000139345712 158347937 /nfs/dbraw/zinc/34/79/37/158347937.db2.gz VMEXAMSCIJRLQB-LBPRGKRZSA-N 0 0 317.397 0.803 10 0 DCAERN CCCCNC(=O)[C@@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000140241901 158347957 /nfs/dbraw/zinc/34/79/57/158347957.db2.gz LNKICKCIAMKEAY-CYBMUJFWSA-N 0 0 321.425 0.912 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CC[S@@](C)=O)C2)n1 ZINC000160439661 158354183 /nfs/dbraw/zinc/35/41/83/158354183.db2.gz SAAXRODYPTVBDM-ZSEKCTLFSA-N 0 0 312.439 0.902 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162923288 158362233 /nfs/dbraw/zinc/36/22/33/158362233.db2.gz KFNSXPCRABNQCI-UHFFFAOYSA-N 0 0 318.439 0.719 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000166720133 158367441 /nfs/dbraw/zinc/36/74/41/158367441.db2.gz RRABHASQMORPLN-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170562910 158374404 /nfs/dbraw/zinc/37/44/04/158374404.db2.gz QPCSVBIKZWCQEC-ZJUUUORDSA-N 0 0 306.318 0.265 10 0 DCAERN O=C([C@@H]1CN(CCCCO)c2ccccc2O1)N1CCOCC1 ZINC000170870993 158377384 /nfs/dbraw/zinc/37/73/84/158377384.db2.gz GVYPOIAUMWHXIY-INIZCTEOSA-N 0 0 320.389 0.885 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCNS(C)(=O)=O ZINC000170958258 158378300 /nfs/dbraw/zinc/37/83/00/158378300.db2.gz NPZDLSKBTLZZKM-WOPDTQHZSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)c1ccccc1OCCn1nc(C(N)=O)ccc1=O ZINC000171511401 158383639 /nfs/dbraw/zinc/38/36/39/158383639.db2.gz HQGNDSFEZDNBOQ-UHFFFAOYSA-N 0 0 301.302 0.624 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)C(C)(C)OC)CC1 ZINC000171593435 158384360 /nfs/dbraw/zinc/38/43/60/158384360.db2.gz RXOFAMRDGJWEBC-UHFFFAOYSA-N 0 0 306.428 0.732 10 0 DCAERN Cc1nnc([C@H](NC(=O)C(=O)c2cnn(C)c2)c2ccccc2)[nH]1 ZINC000171571238 158384844 /nfs/dbraw/zinc/38/48/44/158384844.db2.gz ROTJLKMEQZDIGD-CYBMUJFWSA-N 0 0 324.344 0.935 10 0 DCAERN Cc1ncsc1CN(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000171750302 158386574 /nfs/dbraw/zinc/38/65/74/158386574.db2.gz HIYNIGLPVYYYPX-NSHDSACASA-N 0 0 310.423 0.607 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172165722 158391536 /nfs/dbraw/zinc/39/15/36/158391536.db2.gz XFONKIVCZOPHCT-NSHDSACASA-N 0 0 312.391 0.274 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308232 158392978 /nfs/dbraw/zinc/39/29/78/158392978.db2.gz PMKWWRKGPXNDFT-DGCLKSJQSA-N 0 0 318.381 0.869 10 0 DCAERN CC[C@@H](C)[C@@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172308236 158393204 /nfs/dbraw/zinc/39/32/04/158393204.db2.gz PMKWWRKGPXNDFT-YPMHNXCESA-N 0 0 318.381 0.869 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCn1cc(C)cn1)CC2 ZINC000172290232 158393412 /nfs/dbraw/zinc/39/34/12/158393412.db2.gz YBDWGKWIITUSKR-LBPRGKRZSA-N 0 0 317.397 0.660 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C)C2=O)cc1C ZINC000172417755 158393879 /nfs/dbraw/zinc/39/38/79/158393879.db2.gz XUVDAULBIMBAQZ-ZDUSSCGKSA-N 0 0 303.362 0.380 10 0 DCAERN CC(C)[C@H](C)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000172453299 158395030 /nfs/dbraw/zinc/39/50/30/158395030.db2.gz AMZDUXYTEZQJDN-SNVBAGLBSA-N 0 0 318.377 0.654 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172449372 158395114 /nfs/dbraw/zinc/39/51/14/158395114.db2.gz QNOAQTCWUNUDJC-NEPJUHHUSA-N 0 0 324.402 0.864 10 0 DCAERN NC(=O)CC[C@H]1CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000172536370 158395815 /nfs/dbraw/zinc/39/58/15/158395815.db2.gz MXHKOFFRFWXLIJ-GFCCVEGCSA-N 0 0 318.377 0.316 10 0 DCAERN O=C(c1cccc2c1OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172753342 158398502 /nfs/dbraw/zinc/39/85/02/158398502.db2.gz IBAYFVYBZOGDEI-LBPRGKRZSA-N 0 0 304.346 0.962 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744398 158398817 /nfs/dbraw/zinc/39/88/17/158398817.db2.gz PBVYSWSYTLMOHK-LLVKDONJSA-N 0 0 312.801 0.929 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCCC1 ZINC000172766495 158399332 /nfs/dbraw/zinc/39/93/32/158399332.db2.gz XLFXZTXVESMUIK-CVEARBPZSA-N 0 0 323.437 0.614 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172763992 158399916 /nfs/dbraw/zinc/39/99/16/158399916.db2.gz DROZNNHNVAJSBI-ZIAGYGMSSA-N 0 0 300.399 0.361 10 0 DCAERN CO[C@@H](C)CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174992108 158423650 /nfs/dbraw/zinc/42/36/50/158423650.db2.gz OCWSQYDYXAYFOM-NWDGAFQWSA-N 0 0 308.382 0.765 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(C)C ZINC000178707284 158462412 /nfs/dbraw/zinc/46/24/12/158462412.db2.gz FXTCROONWSDXKP-HNNXBMFYSA-N 0 0 306.362 0.887 10 0 DCAERN O=S(=O)(NC[C@]1(O)CCOC1)c1cccc2ncccc21 ZINC000178984594 158467250 /nfs/dbraw/zinc/46/72/50/158467250.db2.gz WBRRMRIMIRUMKE-CQSZACIVSA-N 0 0 308.359 0.665 10 0 DCAERN Cn1cnc(CNC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000179546128 158473499 /nfs/dbraw/zinc/47/34/99/158473499.db2.gz WLOIXKKCTXAIIE-JTQLQIEISA-N 0 0 309.370 0.688 10 0 DCAERN COc1n[nH]c(NC(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)n1 ZINC000182984929 158494987 /nfs/dbraw/zinc/49/49/87/158494987.db2.gz QWXXGOICFNYCIU-UHFFFAOYSA-N 0 0 316.325 0.806 10 0 DCAERN NC(=O)c1ccc(NCC(=O)Nc2nnc3n2CCCC3)cc1 ZINC000183100967 158496353 /nfs/dbraw/zinc/49/63/53/158496353.db2.gz JNDMZRZFFQNJRE-UHFFFAOYSA-N 0 0 314.349 0.764 10 0 DCAERN COc1cc(N2CCN(CCCS(C)(=O)=O)CC2)ncn1 ZINC000184071260 158505522 /nfs/dbraw/zinc/50/55/22/158505522.db2.gz ZKIDFYOXAZTHDC-UHFFFAOYSA-N 0 0 314.411 0.042 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000185223986 158517068 /nfs/dbraw/zinc/51/70/68/158517068.db2.gz WTHQJAIDZZFUPX-MFKMUULPSA-N 0 0 309.391 0.632 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187387911 158537798 /nfs/dbraw/zinc/53/77/98/158537798.db2.gz LFWBNQPFTONODX-GFCCVEGCSA-N 0 0 311.426 0.951 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000187810326 158540080 /nfs/dbraw/zinc/54/00/80/158540080.db2.gz DDXHOAAPBCSLHD-QWRGUYRKSA-N 0 0 304.354 0.885 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188082456 158542546 /nfs/dbraw/zinc/54/25/46/158542546.db2.gz BNSOPIDPJOEVTH-NEPJUHHUSA-N 0 0 306.362 0.683 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188815392 158548043 /nfs/dbraw/zinc/54/80/43/158548043.db2.gz MGZOEPHMVMTCPB-NSHDSACASA-N 0 0 322.409 0.307 10 0 DCAERN CN1CCCN(C(=O)CCCNC(=O)c2cccnc2)CC1=O ZINC000189763749 158555109 /nfs/dbraw/zinc/55/51/09/158555109.db2.gz BPBFCFNKVVOETD-UHFFFAOYSA-N 0 0 318.377 0.282 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC(Nc3nccs3)CC2)C1 ZINC000190411923 158560090 /nfs/dbraw/zinc/56/00/90/158560090.db2.gz CNPVZGSZGVVYMZ-GFCCVEGCSA-N 0 0 310.423 0.877 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CO)CC2 ZINC000190554724 158561471 /nfs/dbraw/zinc/56/14/71/158561471.db2.gz QCPLUDQILZZLNU-UTUOFQBUSA-N 0 0 307.398 0.568 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1Cc1nnnn1CC(F)(F)F ZINC000191057715 158565139 /nfs/dbraw/zinc/56/51/39/158565139.db2.gz NWTZYQXUHWNZSZ-SNVBAGLBSA-N 0 0 306.292 0.465 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cc1F ZINC000191039703 158565285 /nfs/dbraw/zinc/56/52/85/158565285.db2.gz WWOTVKYFDZUHCJ-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN CCN1CN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1=O ZINC000191530508 158568947 /nfs/dbraw/zinc/56/89/47/158568947.db2.gz SMVIFDUOXFSGMF-LLVKDONJSA-N 0 0 304.350 0.845 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCC(=O)N2CCCC2)n1 ZINC000192542880 158575884 /nfs/dbraw/zinc/57/58/84/158575884.db2.gz NIWRGLMQORHFAF-UHFFFAOYSA-N 0 0 324.406 0.944 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CC(=O)NCC(C)C)CC2)n1 ZINC000192703830 158576928 /nfs/dbraw/zinc/57/69/28/158576928.db2.gz MPOUZYMCVSBJIM-GFCCVEGCSA-N 0 0 309.414 0.829 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000192962469 158579562 /nfs/dbraw/zinc/57/95/62/158579562.db2.gz HFNSRPRXWFNBDA-ZJUUUORDSA-N 0 0 302.338 0.501 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CNC(=O)C1 ZINC000194861997 158601556 /nfs/dbraw/zinc/60/15/56/158601556.db2.gz NQFIBRODYQJJTQ-CYBMUJFWSA-N 0 0 315.373 0.544 10 0 DCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC(F)(F)CN1 ZINC000263097205 158856025 /nfs/dbraw/zinc/85/60/25/158856025.db2.gz YZKFVUPVUKLFDP-IUCAKERBSA-N 0 0 315.286 0.984 10 0 DCAERN Cn1cc([C@@](C)(O)CNc2nnc(Cl)cc2C(N)=O)cn1 ZINC000301481647 158978396 /nfs/dbraw/zinc/97/83/96/158978396.db2.gz SNALCKDISSDWRO-LBPRGKRZSA-N 0 0 310.745 0.282 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](O)C3)C2)cn1 ZINC000304371559 158985719 /nfs/dbraw/zinc/98/57/19/158985719.db2.gz FBVAKQZNQWAVQT-TZMCWYRMSA-N 0 0 307.398 0.555 10 0 DCAERN O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609217 159014773 /nfs/dbraw/zinc/01/47/73/159014773.db2.gz MOCFBNORXDXUKK-HUUCEWRRSA-N 0 0 319.409 0.695 10 0 DCAERN COCCN1CN(C(=O)c2ncoc2[C@H]2CCCO2)CC1=O ZINC000328675047 159019362 /nfs/dbraw/zinc/01/93/62/159019362.db2.gz KIZXEVBTOOPURG-SNVBAGLBSA-N 0 0 309.322 0.414 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCC[C@@H](n2cccn2)C1 ZINC000328717308 159024168 /nfs/dbraw/zinc/02/41/68/159024168.db2.gz ULZVHTZFGWETMC-GFCCVEGCSA-N 0 0 300.384 0.097 10 0 DCAERN CCN1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1=O ZINC000328761142 159027098 /nfs/dbraw/zinc/02/70/98/159027098.db2.gz YBEANBMSAWNJCS-ZDUSSCGKSA-N 0 0 309.410 0.858 10 0 DCAERN CC[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)N1CCCC1=O ZINC000328874485 159037223 /nfs/dbraw/zinc/03/72/23/159037223.db2.gz JLISTNGKJJABKS-MGPQQGTHSA-N 0 0 309.410 0.319 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000328884520 159037744 /nfs/dbraw/zinc/03/77/44/159037744.db2.gz MYUGGSIFGPACPQ-GFCCVEGCSA-N 0 0 310.398 0.118 10 0 DCAERN Cc1cc(CS(=O)(=O)NCc2cnc(N(C)C)n2C)no1 ZINC000328894214 159038962 /nfs/dbraw/zinc/03/89/62/159038962.db2.gz UUFHOICEDSSFFP-UHFFFAOYSA-N 0 0 313.383 0.402 10 0 DCAERN O=C(CCn1cnccc1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328935894 159044266 /nfs/dbraw/zinc/04/42/66/159044266.db2.gz QNBSYUYHPVJFIN-CJNGLKHVSA-N 0 0 305.378 0.787 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000328939521 159045182 /nfs/dbraw/zinc/04/51/82/159045182.db2.gz DQXSYBWPBCQLOJ-CQSZACIVSA-N 0 0 306.410 0.532 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000328966588 159048176 /nfs/dbraw/zinc/04/81/76/159048176.db2.gz MZJHSEIGYFXYOI-GFCCVEGCSA-N 0 0 317.389 0.626 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000328984671 159050210 /nfs/dbraw/zinc/05/02/10/159050210.db2.gz SWLXBTCYESXETR-KBPBESRZSA-N 0 0 306.410 0.532 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)N(C)C1 ZINC000329001954 159050749 /nfs/dbraw/zinc/05/07/49/159050749.db2.gz HAUSISKGFSTNKV-SRVKXCTJSA-N 0 0 311.407 0.762 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329012543 159051973 /nfs/dbraw/zinc/05/19/73/159051973.db2.gz IPWSISKDWGLBES-KGLIPLIRSA-N 0 0 305.382 0.528 10 0 DCAERN O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000329025536 159052674 /nfs/dbraw/zinc/05/26/74/159052674.db2.gz NSVMAUVBKPYMIG-YPMHNXCESA-N 0 0 300.366 0.797 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@H]1c1nc[nH]n1)N1CCCCC1=O ZINC000329099536 159062033 /nfs/dbraw/zinc/06/20/33/159062033.db2.gz ZFJCCBSJXXVGKB-RYUDHWBXSA-N 0 0 321.381 0.496 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCn3nnnc32)cn1 ZINC000329115974 159064676 /nfs/dbraw/zinc/06/46/76/159064676.db2.gz SZCHSPHYAAQFLL-NWDGAFQWSA-N 0 0 317.353 0.404 10 0 DCAERN CC1(C)C[S@@](=O)CCN1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000329168781 159069566 /nfs/dbraw/zinc/06/95/66/159069566.db2.gz IXBBHXFOAUVLQM-FIKIJFGZSA-N 0 0 315.439 0.603 10 0 DCAERN O=C([C@H]1COCCN1C1CCCC1)N1CCC[C@@](F)(CO)C1 ZINC000329198103 159072664 /nfs/dbraw/zinc/07/26/64/159072664.db2.gz AGYBUGVYYYZSHS-ZBFHGGJFSA-N 0 0 314.401 0.953 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000329198124 159072790 /nfs/dbraw/zinc/07/27/90/159072790.db2.gz AHQZVGXFQANQEU-QLFBSQMISA-N 0 0 310.394 0.243 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](C3CCOCC3)C2)O1 ZINC000329238706 159075734 /nfs/dbraw/zinc/07/57/34/159075734.db2.gz PVJJJDJSIRJDNL-ZNMIVQPWSA-N 0 0 324.421 0.897 10 0 DCAERN CC(C)(C(N)=O)N1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000329274751 159078087 /nfs/dbraw/zinc/07/80/87/159078087.db2.gz JOHVPKXTOUTEEN-UHFFFAOYSA-N 0 0 316.365 0.801 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)O1 ZINC000329282587 159079391 /nfs/dbraw/zinc/07/93/91/159079391.db2.gz NSCFTAUIISZLLC-LOUJCGABSA-N 0 0 324.421 0.776 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)c1cnn2ccncc12 ZINC000329360979 159085351 /nfs/dbraw/zinc/08/53/51/159085351.db2.gz YHNCMGHOQRSDQH-UHFFFAOYSA-N 0 0 317.393 0.912 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)N2CC(n3ccnn3)C2)n1 ZINC000329370112 159086086 /nfs/dbraw/zinc/08/60/86/159086086.db2.gz IPSKDONAACIGII-UHFFFAOYSA-N 0 0 304.354 0.975 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000329367165 159086163 /nfs/dbraw/zinc/08/61/63/159086163.db2.gz ITINIGZLRWWBOO-HNNXBMFYSA-N 0 0 320.437 0.922 10 0 DCAERN C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCS1(=O)=O ZINC000329404255 159089749 /nfs/dbraw/zinc/08/97/49/159089749.db2.gz CHKFYSLTIGJWHP-NWDGAFQWSA-N 0 0 305.396 0.218 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2C(=O)CN(C)C2=O)C[C@]12CCCO2 ZINC000329451461 159094503 /nfs/dbraw/zinc/09/45/03/159094503.db2.gz MBXYIVGDCLUBRU-DZGCQCFKSA-N 0 0 309.366 0.296 10 0 DCAERN C[C@H]1CN(C(=O)CSC[C@H]2CCCCO2)CCS1(=O)=O ZINC000329469137 159095386 /nfs/dbraw/zinc/09/53/86/159095386.db2.gz XHFFWBPUFXSYHK-NWDGAFQWSA-N 0 0 321.464 0.934 10 0 DCAERN Cc1nnc2n1C[C@H](CN1C(=O)N3CCC[C@]3(C)C1=O)CC2 ZINC000329515726 159099328 /nfs/dbraw/zinc/09/93/28/159099328.db2.gz YPBQKABOLISPON-IAQYHMDHSA-N 0 0 303.366 0.966 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000329587932 159104741 /nfs/dbraw/zinc/10/47/41/159104741.db2.gz XNKSUDLKRLJVQJ-LYIQGSDWSA-N 0 0 310.354 0.114 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC(n2ccnn2)C1 ZINC000329590215 159104843 /nfs/dbraw/zinc/10/48/43/159104843.db2.gz YIJZXBVNOLKIGM-UHFFFAOYSA-N 0 0 313.321 0.266 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000329608707 159106494 /nfs/dbraw/zinc/10/64/94/159106494.db2.gz CQLUWEKRQHJGHU-LBPRGKRZSA-N 0 0 319.409 0.556 10 0 DCAERN COCCN(C(=O)c1cnn2ccncc12)[C@H]1CCO[C@H]1C ZINC000329631707 159107956 /nfs/dbraw/zinc/10/79/56/159107956.db2.gz IINWYNKUKVMPHU-AAEUAGOBSA-N 0 0 304.350 0.995 10 0 DCAERN CC[C@]1(C)CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCO1 ZINC000329649136 159108846 /nfs/dbraw/zinc/10/88/46/159108846.db2.gz KCRWDUAFNQPYEH-UMVBOHGHSA-N 0 0 324.381 0.506 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)nc(C)n1)CC2 ZINC000329655413 159109013 /nfs/dbraw/zinc/10/90/13/159109013.db2.gz FSDYYLOLHXKQSK-LLVKDONJSA-N 0 0 316.365 0.576 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@H](c3nccs3)C2)CC1=O ZINC000329722857 159113904 /nfs/dbraw/zinc/11/39/04/159113904.db2.gz NMWINMGVSTZMME-LBPRGKRZSA-N 0 0 322.434 0.623 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)nc2n1 ZINC000329758031 159117007 /nfs/dbraw/zinc/11/70/07/159117007.db2.gz NIQCRBLQKQHAIC-YNEHKIRRSA-N 0 0 315.377 0.513 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC1=O ZINC000329750944 159117105 /nfs/dbraw/zinc/11/71/05/159117105.db2.gz VGLNRDJNZMZXJK-BFHYXJOUSA-N 0 0 309.410 0.034 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@H]21 ZINC000329821261 159121781 /nfs/dbraw/zinc/12/17/81/159121781.db2.gz HCLNKQVIPJNCJH-CHWSQXEVSA-N 0 0 303.428 0.168 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000329889614 159126620 /nfs/dbraw/zinc/12/66/20/159126620.db2.gz DUXYSWLNSMXGAJ-FZMZJTMJSA-N 0 0 314.407 0.316 10 0 DCAERN CCC1(CC)CN(C(=O)Cn2cccnc2=O)CC[S@@]1=O ZINC000329920854 159129337 /nfs/dbraw/zinc/12/93/37/159129337.db2.gz SJISTEYORDXWAX-NRFANRHFSA-N 0 0 311.407 0.393 10 0 DCAERN Cc1ccc(N2CCCN(C(=O)C3(O)CCOCC3)CC2)nn1 ZINC000330022542 159136274 /nfs/dbraw/zinc/13/62/74/159136274.db2.gz ZRQCJDKDXKNCOB-UHFFFAOYSA-N 0 0 320.393 0.365 10 0 DCAERN CCn1cc(-c2nn(C)cc2C(=O)N2CC(O)(C3CC3)C2)cn1 ZINC000330041567 159137079 /nfs/dbraw/zinc/13/70/79/159137079.db2.gz DDCYTLBCGKWTRB-UHFFFAOYSA-N 0 0 315.377 0.900 10 0 DCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)CCN1CCCC1 ZINC000330063777 159138683 /nfs/dbraw/zinc/13/86/83/159138683.db2.gz BSWPZFFWDFYTKY-SOZUMNATSA-N 0 0 308.469 0.253 10 0 DCAERN O=C([C@H]1CCCO1)N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090969 159141097 /nfs/dbraw/zinc/14/10/97/159141097.db2.gz XHPFHWZRTKFNSA-UONOGXRCSA-N 0 0 307.394 0.073 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C[C@@H](CO)O1 ZINC000330106545 159142649 /nfs/dbraw/zinc/14/26/49/159142649.db2.gz LAPBUCLSTSHRHY-UQOMUDLDSA-N 0 0 306.362 0.767 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@@H](C)S1=O ZINC000330128288 159144117 /nfs/dbraw/zinc/14/41/17/159144117.db2.gz NLRPQAAUXNJTPW-UTUOFQBUSA-N 0 0 315.439 0.602 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000330130196 159144158 /nfs/dbraw/zinc/14/41/58/159144158.db2.gz FFHMHPXXBRBEJG-CQSZACIVSA-N 0 0 317.455 0.260 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@H](C2CC2)C1)n1cccn1 ZINC000330128791 159144165 /nfs/dbraw/zinc/14/41/65/159144165.db2.gz JPMACSPARFCJPV-JSGCOSHPSA-N 0 0 320.393 0.540 10 0 DCAERN C[C@H](C(=O)N1CCO[C@H](COCC2CC2)C1)N1CCOCC1 ZINC000330156622 159146405 /nfs/dbraw/zinc/14/64/05/159146405.db2.gz YUXNJAAKDJACAS-HIFRSBDPSA-N 0 0 312.410 0.361 10 0 DCAERN Cn1nncc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330165563 159147335 /nfs/dbraw/zinc/14/73/35/159147335.db2.gz UQGRPOJBCLJJQJ-MNOVXSKESA-N 0 0 310.383 0.474 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CC[C@H](CO)C1 ZINC000330224074 159151373 /nfs/dbraw/zinc/15/13/73/159151373.db2.gz SQTVTIOEGYSBTQ-KBPBESRZSA-N 0 0 318.439 0.422 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c1 ZINC000330460068 159176728 /nfs/dbraw/zinc/17/67/28/159176728.db2.gz JSQHEACDCJETEC-ZETCQYMHSA-N 0 0 301.290 0.495 10 0 DCAERN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)[C@H](C)N1CCOCC1 ZINC000332731547 159210813 /nfs/dbraw/zinc/21/08/13/159210813.db2.gz KUUCGNNQJIZBMP-MELADBBJSA-N 0 0 311.426 0.661 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000332724389 159210823 /nfs/dbraw/zinc/21/08/23/159210823.db2.gz LBPCUTGHBSADMM-QWHCGFSZSA-N 0 0 319.409 0.989 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)CCC2 ZINC000332933824 159217450 /nfs/dbraw/zinc/21/74/50/159217450.db2.gz JOCZPXAMCPXAIC-QWHCGFSZSA-N 0 0 319.409 0.989 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCS(N)(=O)=O)CC2 ZINC000359267736 159258981 /nfs/dbraw/zinc/25/89/81/159258981.db2.gz GXPHZZBJLHJZPF-VIFPVBQESA-N 0 0 314.411 0.043 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000359285252 159262082 /nfs/dbraw/zinc/26/20/82/159262082.db2.gz MCFFAPNXBPWFOM-JHJVBQTASA-N 0 0 304.387 0.267 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000365014395 159277012 /nfs/dbraw/zinc/27/70/12/159277012.db2.gz HKBJOHPXNVRREO-AAEUAGOBSA-N 0 0 319.361 0.600 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)[nH]1 ZINC000366714935 159281274 /nfs/dbraw/zinc/28/12/74/159281274.db2.gz XZQNRVLLBAAHLF-OUJBWJOFSA-N 0 0 313.361 0.992 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCN2CCOC[C@H]2C1 ZINC000366960889 159300447 /nfs/dbraw/zinc/30/04/47/159300447.db2.gz TZRRRPBCKIZQOV-CHWSQXEVSA-N 0 0 304.394 0.383 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(Cc2ccc(Cl)cn2)CCO1 ZINC000367050338 159308526 /nfs/dbraw/zinc/30/85/26/159308526.db2.gz OGRXBSQCEMTYKQ-CYBMUJFWSA-N 0 0 312.801 0.353 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000367330108 159331784 /nfs/dbraw/zinc/33/17/84/159331784.db2.gz LJQLTNRCJKNHKQ-DGCLKSJQSA-N 0 0 308.407 0.835 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@](O)(C(N)=O)C2)[C@H]1C ZINC000367488905 159340809 /nfs/dbraw/zinc/34/08/09/159340809.db2.gz GLZMDELKMSHIOS-DVZHBHJUSA-N 0 0 311.426 0.240 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)on1 ZINC000367757685 159354289 /nfs/dbraw/zinc/35/42/89/159354289.db2.gz AVEAPVKLCQGZIP-IRUJWGPZSA-N 0 0 306.366 0.834 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[C@H]1O ZINC000368353949 159388868 /nfs/dbraw/zinc/38/88/68/159388868.db2.gz FKYSDVFMYJOXLV-FDYHWXHSSA-N 0 0 318.439 0.802 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N3CC(n4ccnn4)C3)cc2)n1 ZINC000371671713 159580668 /nfs/dbraw/zinc/58/06/68/159580668.db2.gz QQIQVNHTTPMCMW-UHFFFAOYSA-N 0 0 309.333 0.771 10 0 DCAERN CC(C)c1noc(CCC(=O)N2CCN3CCOC[C@H]3C2)n1 ZINC000371788541 159584982 /nfs/dbraw/zinc/58/49/82/159584982.db2.gz MVLKSZVWKVTHQL-GFCCVEGCSA-N 0 0 308.382 0.669 10 0 DCAERN O=C(Cc1noc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000371788000 159585530 /nfs/dbraw/zinc/58/55/30/159585530.db2.gz HKVJSXQVJPLGAJ-GFCCVEGCSA-N 0 0 301.346 0.913 10 0 DCAERN CN(CC(=O)N1CC(n2ccnn2)C1)C(=O)c1cccs1 ZINC000374833449 159754219 /nfs/dbraw/zinc/75/42/19/159754219.db2.gz DSRGBWLIZKSCIJ-UHFFFAOYSA-N 0 0 305.363 0.495 10 0 DCAERN COCCCNC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374834992 159754874 /nfs/dbraw/zinc/75/48/74/159754874.db2.gz VALKLQZKFVRABB-OLZOCXBDSA-N 0 0 300.399 0.890 10 0 DCAERN O=C(c1cnc(C(F)(F)F)nc1)N1CCN2CCOC[C@H]2C1 ZINC000375287118 159782145 /nfs/dbraw/zinc/78/21/45/159782145.db2.gz NCRPIIZMVNXWTI-SNVBAGLBSA-N 0 0 316.283 0.652 10 0 DCAERN Cc1nc(CN2CCC[C@H](NC(=O)C3(O)CCCC3)C2)no1 ZINC000377663762 159932478 /nfs/dbraw/zinc/93/24/78/159932478.db2.gz CPMKZWOVBPELDP-LBPRGKRZSA-N 0 0 308.382 0.764 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000378470419 159984780 /nfs/dbraw/zinc/98/47/80/159984780.db2.gz AQPIBTJGROMNBV-STQMWFEESA-N 0 0 312.366 0.036 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000407960912 159997110 /nfs/dbraw/zinc/99/71/10/159997110.db2.gz YPUWFTMNQOFPAX-HSMVNMDESA-N 0 0 309.410 0.666 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)C[C@H]2CCCCNC2=O)C[C@H]1C ZINC000407970314 159999420 /nfs/dbraw/zinc/99/94/20/159999420.db2.gz ZJDPAHMHASXNRS-XHBSWPGZSA-N 0 0 310.394 0.950 10 0 DCAERN C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000407970551 160000267 /nfs/dbraw/zinc/00/02/67/160000267.db2.gz ZTEUTFXZXAXSEV-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000407979251 160001406 /nfs/dbraw/zinc/00/14/06/160001406.db2.gz UQHXUXJHUVDSPY-GXTWGEPZSA-N 0 0 312.410 0.801 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C1 ZINC000407982367 160002554 /nfs/dbraw/zinc/00/25/54/160002554.db2.gz YDHUYXOIIHPWQK-SCZZXKLOSA-N 0 0 315.395 0.827 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(C)=O)CC1 ZINC000407988101 160003484 /nfs/dbraw/zinc/00/34/84/160003484.db2.gz CBVXYNWUCFJEEZ-NSHDSACASA-N 0 0 300.380 0.319 10 0 DCAERN CC1(O)CN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000407989037 160004251 /nfs/dbraw/zinc/00/42/51/160004251.db2.gz WJTQJXONNIZGBW-SECBINFHSA-N 0 0 310.300 0.911 10 0 DCAERN Cc1cnccc1CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000407988728 160004642 /nfs/dbraw/zinc/00/46/42/160004642.db2.gz CYUILCCQBQMFRD-CHWSQXEVSA-N 0 0 313.423 0.876 10 0 DCAERN O=S(=O)(N1CC[C@H](Nc2ccccc2)C1)N1CCOCC1 ZINC000407989017 160004692 /nfs/dbraw/zinc/00/46/92/160004692.db2.gz FHQMVAZLGXIULV-AWEZNQCLSA-N 0 0 311.407 0.750 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000407997751 160006803 /nfs/dbraw/zinc/00/68/03/160006803.db2.gz JIHPFYUOBXVNFD-SRVKXCTJSA-N 0 0 319.427 0.277 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCC(=O)N2CCCCC2)C1 ZINC000408010066 160009805 /nfs/dbraw/zinc/00/98/05/160009805.db2.gz NBIKMAUHNYWZNM-CYBMUJFWSA-N 0 0 317.455 0.955 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408007363 160009810 /nfs/dbraw/zinc/00/98/10/160009810.db2.gz CNSCYAMMYKDUEP-ZDUSSCGKSA-N 0 0 304.412 0.345 10 0 DCAERN C[C@@H](C(=O)N1CC[C@H](CCO)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408011541 160010391 /nfs/dbraw/zinc/01/03/91/160010391.db2.gz SLJHRWVBJIJVEB-NWDGAFQWSA-N 0 0 323.393 0.470 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCN(C)C(=O)C2(C)C)no1 ZINC000408016893 160012583 /nfs/dbraw/zinc/01/25/83/160012583.db2.gz JLBWNHOXXZJOCY-UHFFFAOYSA-N 0 0 301.368 0.365 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 ZINC000408017985 160012717 /nfs/dbraw/zinc/01/27/17/160012717.db2.gz WXUDACPXDVLGCP-JSGCOSHPSA-N 0 0 308.403 0.996 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408020665 160013978 /nfs/dbraw/zinc/01/39/78/160013978.db2.gz DWPZFCHULQYCOY-QWHCGFSZSA-N 0 0 306.366 0.017 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408027889 160015964 /nfs/dbraw/zinc/01/59/64/160015964.db2.gz PMVQZHTXDROXDL-RFQIPJPRSA-N 0 0 320.455 0.945 10 0 DCAERN Cc1noc([C@H]2CN([C@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033954 160017871 /nfs/dbraw/zinc/01/78/71/160017871.db2.gz BYMNMOJGBMJKMA-DGCLKSJQSA-N 0 0 309.414 0.922 10 0 DCAERN CC(C)(C)NC(=O)CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408044641 160021318 /nfs/dbraw/zinc/02/13/18/160021318.db2.gz OHOSIBHGHXOIJJ-NEPJUHHUSA-N 0 0 315.389 0.172 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000408047384 160022948 /nfs/dbraw/zinc/02/29/48/160022948.db2.gz ZTCSHOZZPXGMER-OAHLLOKOSA-N 0 0 319.317 0.845 10 0 DCAERN CC1CCC(N(C)C(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)CC1 ZINC000408047761 160023136 /nfs/dbraw/zinc/02/31/36/160023136.db2.gz SGOLSQFHFPQMSH-CTBQFLBTSA-N 0 0 311.426 0.598 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@]2(C)CCCS2)C1 ZINC000408050094 160023346 /nfs/dbraw/zinc/02/33/46/160023346.db2.gz AKJJHFQDDZWMKL-ZIAGYGMSSA-N 0 0 300.424 0.762 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H](OCC(C)C)C2)C1 ZINC000408051920 160023372 /nfs/dbraw/zinc/02/33/72/160023372.db2.gz MFJBQAGETOQRJM-GOEBONIOSA-N 0 0 312.410 0.633 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@H](F)C[C@H]2C(N)=O)C1 ZINC000408051536 160023472 /nfs/dbraw/zinc/02/34/72/160023472.db2.gz IABXQRNSNXIHKF-TUAOUCFPSA-N 0 0 313.373 0.449 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000408050091 160023901 /nfs/dbraw/zinc/02/39/01/160023901.db2.gz AKJJHFQDDZWMKL-UONOGXRCSA-N 0 0 300.424 0.762 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1C(N)=O ZINC000408054222 160024287 /nfs/dbraw/zinc/02/42/87/160024287.db2.gz LDFPSNZCFFDMDM-PSASIEDQSA-N 0 0 303.318 0.211 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)C1 ZINC000408055334 160024989 /nfs/dbraw/zinc/02/49/89/160024989.db2.gz TXCYNVBSMOZISW-IJEWVQPXSA-N 0 0 312.410 0.369 10 0 DCAERN O=C(CC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1)N1CCCC1 ZINC000408057585 160025388 /nfs/dbraw/zinc/02/53/88/160025388.db2.gz WSIYWILQGGJWFA-CYBMUJFWSA-N 0 0 307.394 0.374 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)C[C@H]1C(N)=O ZINC000408058795 160025911 /nfs/dbraw/zinc/02/59/11/160025911.db2.gz DTIAEHKEOQOLGY-UPJWGTAASA-N 0 0 323.437 0.993 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CC(NC(C)=O)C3)(CC1)CC2 ZINC000408063757 160026458 /nfs/dbraw/zinc/02/64/58/160026458.db2.gz RYIZNTKWQVCRMD-UHFFFAOYSA-N 0 0 308.378 0.847 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)C[C@H](C)O1 ZINC000408076615 160030440 /nfs/dbraw/zinc/03/04/40/160030440.db2.gz LHFFSFOPGPBJTR-USZNOCQGSA-N 0 0 304.412 0.340 10 0 DCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000408078886 160030937 /nfs/dbraw/zinc/03/09/37/160030937.db2.gz KRNFULDWANIGGK-OLZOCXBDSA-N 0 0 311.378 0.841 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000408078162 160031025 /nfs/dbraw/zinc/03/10/25/160031025.db2.gz BHTOAVITBCFOCD-GFCCVEGCSA-N 0 0 303.428 0.708 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000408081873 160031490 /nfs/dbraw/zinc/03/14/90/160031490.db2.gz FMEBEZUIMUZARE-AXFHLTTASA-N 0 0 306.366 0.640 10 0 DCAERN C[C@@H]1[C@@H](C)N(C(=O)Cn2ncc(=O)c3ccccc32)CCN1C ZINC000408085511 160032530 /nfs/dbraw/zinc/03/25/30/160032530.db2.gz AJDSTISAICZCAE-CHWSQXEVSA-N 0 0 314.389 0.948 10 0 DCAERN CC[C@H](CSC)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408097746 160034944 /nfs/dbraw/zinc/03/49/44/160034944.db2.gz BMIFHCITZWXRQU-SECBINFHSA-N 0 0 315.482 0.625 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000408098255 160035113 /nfs/dbraw/zinc/03/51/13/160035113.db2.gz SNGRWCPSZNSRHI-DGCLKSJQSA-N 0 0 314.407 0.929 10 0 DCAERN Cn1c(=O)cc(C(=O)N2CCS(=O)CC2)c2ccccc21 ZINC000408107374 160037237 /nfs/dbraw/zinc/03/72/37/160037237.db2.gz WWNPWYLNPRODHZ-UHFFFAOYSA-N 0 0 304.371 0.743 10 0 DCAERN CC1(C)C[C@H](NC(=O)c2ccnc(S(C)(=O)=O)n2)CCO1 ZINC000408108468 160037414 /nfs/dbraw/zinc/03/74/14/160037414.db2.gz SERCAPRBNVHTJP-SECBINFHSA-N 0 0 313.379 0.568 10 0 DCAERN Cc1csc2ncc(C(=O)N3CC[C@@H](C)[C@H](O)C3)c(=O)n12 ZINC000408118953 160040050 /nfs/dbraw/zinc/04/00/50/160040050.db2.gz ASEMHULKISPAMJ-LDYMZIIASA-N 0 0 307.375 0.907 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408121085 160041210 /nfs/dbraw/zinc/04/12/10/160041210.db2.gz KUWZKZFWDGIRSE-UHFFFAOYSA-N 0 0 314.411 0.359 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)CC(C)C ZINC000408129997 160043685 /nfs/dbraw/zinc/04/36/85/160043685.db2.gz CJOPTABTEUCSCB-LLVKDONJSA-N 0 0 301.416 0.844 10 0 DCAERN CN1CN(S(=O)(=O)c2cccc(Br)c2)CC1=O ZINC000408136246 160045251 /nfs/dbraw/zinc/04/52/51/160045251.db2.gz CFQOBGXOAJPLKD-UHFFFAOYSA-N 0 0 319.180 0.869 10 0 DCAERN Cn1c2cccc(F)c2nc1N1CCN(S(C)(=O)=O)CC1 ZINC000408138195 160045878 /nfs/dbraw/zinc/04/58/78/160045878.db2.gz JAJLSJLZJZOWSO-UHFFFAOYSA-N 0 0 312.370 0.794 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCc1cn2ccccc2n1 ZINC000408142879 160046622 /nfs/dbraw/zinc/04/66/22/160046622.db2.gz RYEJCPYGFRHOGQ-NEPJUHHUSA-N 0 0 324.406 0.778 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)[C@H](C)CO1 ZINC000408142884 160047049 /nfs/dbraw/zinc/04/70/49/160047049.db2.gz RYEJCPYGFRHOGQ-VXGBXAGGSA-N 0 0 324.406 0.778 10 0 DCAERN Cc1cn2nc(N3CCC[C@H]3CS(N)(=O)=O)sc2n1 ZINC000408155504 160049297 /nfs/dbraw/zinc/04/92/97/160049297.db2.gz RLCWDHKATNRPFA-QMMMGPOBSA-N 0 0 301.397 0.357 10 0 DCAERN O=C(CNC(=O)c1ccco1)N1CCOCC2(CCOCC2)C1 ZINC000408182960 160054706 /nfs/dbraw/zinc/05/47/06/160054706.db2.gz OIASDIMSAXMOBC-UHFFFAOYSA-N 0 0 322.361 0.665 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC([C@@H](C)O)CC3)nc2n1 ZINC000408188753 160056015 /nfs/dbraw/zinc/05/60/15/160056015.db2.gz ITCBYJIEFHXQCN-GFCCVEGCSA-N 0 0 317.393 0.903 10 0 DCAERN Cc1oc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1S(N)(=O)=O ZINC000408189334 160056262 /nfs/dbraw/zinc/05/62/62/160056262.db2.gz WNKDJCYKRBRQGM-LPEHRKFASA-N 0 0 314.363 0.078 10 0 DCAERN C[C@H]1COc2ccccc2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187827 160056375 /nfs/dbraw/zinc/05/63/75/160056375.db2.gz QGNHEDRMKVWRFN-NSHDSACASA-N 0 0 312.391 0.688 10 0 DCAERN C[C@@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408192494 160056968 /nfs/dbraw/zinc/05/69/68/160056968.db2.gz NOUFHAOVIWTHHU-GMTAPVOTSA-N 0 0 306.428 0.777 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3ccccc3O)CC2)CC(=O)N1 ZINC000408197237 160057312 /nfs/dbraw/zinc/05/73/12/160057312.db2.gz HGNJTODTIRAYHV-STQMWFEESA-N 0 0 317.389 0.956 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)NC2CCS(=O)CC2)C1 ZINC000408200218 160058127 /nfs/dbraw/zinc/05/81/27/160058127.db2.gz ASTZTZUMIVTGJO-MOXSTUPHSA-N 0 0 301.408 0.993 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC(=O)N1 ZINC000408201175 160058528 /nfs/dbraw/zinc/05/85/28/160058528.db2.gz DFFSNFCGOGCMRC-MROQNXINSA-N 0 0 309.410 0.664 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC(=O)N1 ZINC000408200962 160058663 /nfs/dbraw/zinc/05/86/63/160058663.db2.gz CKPDIGUFZDWRHW-AGIUHOORSA-N 0 0 317.393 0.476 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408202797 160058988 /nfs/dbraw/zinc/05/89/88/160058988.db2.gz OADUHTFQGWPRLS-VIFPVBQESA-N 0 0 315.395 0.662 10 0 DCAERN COCCN1CCN(S(=O)(=O)N(C)CC2CC2)C[C@H]1C ZINC000408204586 160059338 /nfs/dbraw/zinc/05/93/38/160059338.db2.gz VHEVLVZSRQTLBU-GFCCVEGCSA-N 0 0 305.444 0.226 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408206773 160059837 /nfs/dbraw/zinc/05/98/37/160059837.db2.gz UQKJOJXXKXHGIB-MCIONIFRSA-N 0 0 309.410 0.224 10 0 DCAERN O=C(CN1CCCCCCC1=O)NC1CCS(=O)CC1 ZINC000408205909 160060290 /nfs/dbraw/zinc/06/02/90/160060290.db2.gz ZHDXTRWHEUNCIW-UHFFFAOYSA-N 0 0 300.424 0.806 10 0 DCAERN Cc1cn2nc(N(C)C[C@@H]3CCS(=O)(=O)C3)sc2n1 ZINC000408218463 160062432 /nfs/dbraw/zinc/06/24/32/160062432.db2.gz IMOVTRPWJJTVLN-VIFPVBQESA-N 0 0 300.409 0.970 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000408221993 160063109 /nfs/dbraw/zinc/06/31/09/160063109.db2.gz NJKRQICEJJFEPU-QWHCGFSZSA-N 0 0 324.425 0.459 10 0 DCAERN CC1CCN(C(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408220396 160063247 /nfs/dbraw/zinc/06/32/47/160063247.db2.gz WBNMCNILFHWAAA-ZDUSSCGKSA-N 0 0 302.440 0.611 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000408227824 160063993 /nfs/dbraw/zinc/06/39/93/160063993.db2.gz ZEJKZYPIABFIPF-YVECIDJPSA-N 0 0 312.410 0.800 10 0 DCAERN C[C@H]1[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)C1(F)F ZINC000408230470 160064694 /nfs/dbraw/zinc/06/46/94/160064694.db2.gz GVCBQFIDRMWZGZ-JOYOIKCWSA-N 0 0 322.319 0.674 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000408234016 160065155 /nfs/dbraw/zinc/06/51/55/160065155.db2.gz APHSTQHCDUCSRR-SNVBAGLBSA-N 0 0 300.384 0.363 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nn1C ZINC000408241062 160066697 /nfs/dbraw/zinc/06/66/97/160066697.db2.gz HILKZIOAZBNUER-QWRGUYRKSA-N 0 0 314.411 0.319 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCC(N2CCNC2=O)CC1 ZINC000408240611 160067150 /nfs/dbraw/zinc/06/71/50/160067150.db2.gz DTJAFWSJVJRUHC-UHFFFAOYSA-N 0 0 307.402 0.418 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408237727 160067172 /nfs/dbraw/zinc/06/71/72/160067172.db2.gz RSIRTCTYHALMRD-GMTAPVOTSA-N 0 0 308.400 0.081 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](O)C1(C)C ZINC000408246347 160068451 /nfs/dbraw/zinc/06/84/51/160068451.db2.gz JEVCVBWGGQUKBU-WPRPVWTQSA-N 0 0 311.411 0.860 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408244555 160068589 /nfs/dbraw/zinc/06/85/89/160068589.db2.gz PDVJCZOPJDGAPM-NSHDSACASA-N 0 0 316.423 0.279 10 0 DCAERN CC1(C)CN(C(=O)c2cc(C(N)=O)cs2)CCS1(=O)=O ZINC000408249445 160069231 /nfs/dbraw/zinc/06/92/31/160069231.db2.gz VRFMVFMCAZAICI-UHFFFAOYSA-N 0 0 316.404 0.496 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000408257590 160070802 /nfs/dbraw/zinc/07/08/02/160070802.db2.gz QTTUWAJWGKSLED-WZRBSPASSA-N 0 0 314.382 0.773 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000408270969 160073635 /nfs/dbraw/zinc/07/36/35/160073635.db2.gz TXQIJAIGPZMZAJ-QWHCGFSZSA-N 0 0 318.439 0.541 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)c2nccc(C)n2)CC1 ZINC000408283233 160075715 /nfs/dbraw/zinc/07/57/15/160075715.db2.gz HPQRUGZGHFZLAI-UHFFFAOYSA-N 0 0 312.395 0.329 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCOc2ccc(F)cc2C1 ZINC000408281173 160076084 /nfs/dbraw/zinc/07/60/84/160076084.db2.gz SPSWKTDOGUBDCU-VIFPVBQESA-N 0 0 316.354 0.484 10 0 DCAERN COC1CCN(C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000408282755 160076117 /nfs/dbraw/zinc/07/61/17/160076117.db2.gz AQZRMHSXLOBMFJ-UHFFFAOYSA-N 0 0 305.382 0.829 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCCN(C(C)=O)CC1 ZINC000408288900 160076675 /nfs/dbraw/zinc/07/66/75/160076675.db2.gz ALMPDHSMNRXMQJ-UHFFFAOYSA-N 0 0 300.384 0.146 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CCCNC(=O)[C@@H]3C)c12 ZINC000408295192 160078280 /nfs/dbraw/zinc/07/82/80/160078280.db2.gz SGUSQBQUYLLHNJ-JTQLQIEISA-N 0 0 301.350 0.925 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)N1CCOCC1 ZINC000408306305 160081426 /nfs/dbraw/zinc/08/14/26/160081426.db2.gz PPRXNTODCGFTOV-PWSUYJOCSA-N 0 0 310.316 0.623 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCSC3)CCO2)n1 ZINC000408307831 160081488 /nfs/dbraw/zinc/08/14/88/160081488.db2.gz UBULMZMLOSDXQC-STQMWFEESA-N 0 0 310.423 0.875 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408308282 160082679 /nfs/dbraw/zinc/08/26/79/160082679.db2.gz VDQVQROJUMNHCP-SNVBAGLBSA-N 0 0 317.329 0.725 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)[C@H]1OC ZINC000408313656 160083175 /nfs/dbraw/zinc/08/31/75/160083175.db2.gz LIBCHOASXIJXMI-KSSYENDESA-N 0 0 322.427 0.122 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C)O3)CCO2)n1 ZINC000408318149 160083727 /nfs/dbraw/zinc/08/37/27/160083727.db2.gz IGPSBTSDVDDSGV-BPNCWPANSA-N 0 0 308.382 0.690 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000408317574 160083814 /nfs/dbraw/zinc/08/38/14/160083814.db2.gz HGLYDMBQDJTSGS-QMMMGPOBSA-N 0 0 316.404 0.755 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1C ZINC000408321182 160084633 /nfs/dbraw/zinc/08/46/33/160084633.db2.gz QHJLOMQFKZSKHU-GZMMTYOYSA-N 0 0 307.350 0.658 10 0 DCAERN Cn1cccc1CNC(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408325417 160085249 /nfs/dbraw/zinc/08/52/49/160085249.db2.gz ZEXAMTYHQRMVGJ-UHFFFAOYSA-N 0 0 301.350 0.387 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000408324191 160085267 /nfs/dbraw/zinc/08/52/67/160085267.db2.gz JFOXQDBUSAZJDK-YNEHKIRRSA-N 0 0 318.439 0.730 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)n1 ZINC000408332898 160086879 /nfs/dbraw/zinc/08/68/79/160086879.db2.gz ZSQBEXXNRWKFFX-AAEUAGOBSA-N 0 0 308.382 0.837 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)[S@](C)=O ZINC000408341161 160088185 /nfs/dbraw/zinc/08/81/85/160088185.db2.gz ZBRKZUHCNUWGSB-ACQVZOFHSA-N 0 0 312.457 0.087 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnn2)C[C@]2(CCCOC2)O1 ZINC000408348936 160089873 /nfs/dbraw/zinc/08/98/73/160089873.db2.gz LMIBBPVQYSPDOO-HIFRSBDPSA-N 0 0 323.397 0.648 10 0 DCAERN CC(C)[C@H](CO)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000408351529 160090518 /nfs/dbraw/zinc/09/05/18/160090518.db2.gz FYEDYOXFGHVWLI-RYUDHWBXSA-N 0 0 300.424 0.775 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000408353502 160090527 /nfs/dbraw/zinc/09/05/27/160090527.db2.gz BPGNRROKHMTPAZ-VEGXAWMVSA-N 0 0 322.409 0.339 10 0 DCAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000408359437 160091645 /nfs/dbraw/zinc/09/16/45/160091645.db2.gz MOAMMFSJPXUXDI-NWDGAFQWSA-N 0 0 304.412 0.198 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000408362094 160092523 /nfs/dbraw/zinc/09/25/23/160092523.db2.gz LONGOBGJVUIONG-UPJWGTAASA-N 0 0 306.428 0.747 10 0 DCAERN O=C(CN1CCO[C@@H](CO)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000408369093 160093735 /nfs/dbraw/zinc/09/37/35/160093735.db2.gz RHKDGHRAPMAVBH-UZZMVUAXSA-N 0 0 308.422 0.765 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@H](O)C3(C)C)nc2n1 ZINC000408374500 160094736 /nfs/dbraw/zinc/09/47/36/160094736.db2.gz LJRYSZZHLDUXOR-MNOVXSKESA-N 0 0 303.366 0.559 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC000408377014 160095116 /nfs/dbraw/zinc/09/51/16/160095116.db2.gz YWHBEZNRYVDRFL-JHJVBQTASA-N 0 0 318.439 0.732 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408384161 160096758 /nfs/dbraw/zinc/09/67/58/160096758.db2.gz YTRDFMRWJWDDDS-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000408385300 160096769 /nfs/dbraw/zinc/09/67/69/160096769.db2.gz LHVFFVKBMKUNKV-QMMMGPOBSA-N 0 0 320.802 0.350 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408393509 160099060 /nfs/dbraw/zinc/09/90/60/160099060.db2.gz MXNWFJHKAKVRPM-NWDGAFQWSA-N 0 0 323.393 0.590 10 0 DCAERN CS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000408406741 160101766 /nfs/dbraw/zinc/10/17/66/160101766.db2.gz SCSSLERLOVPMQH-NEPJUHHUSA-N 0 0 316.423 0.328 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000408406762 160101769 /nfs/dbraw/zinc/10/17/69/160101769.db2.gz OEVFSNNNJLUELG-NSHDSACASA-N 0 0 306.370 0.343 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC(C(C)(C)O)C3)C2)cn1 ZINC000408406982 160102153 /nfs/dbraw/zinc/10/21/53/160102153.db2.gz SSBRBMBSIUTFCZ-ZDUSSCGKSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@@H]1CCN(c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccn2)C1 ZINC000408417101 160103422 /nfs/dbraw/zinc/10/34/22/160103422.db2.gz XODRDVWYKGXEFU-DGCLKSJQSA-N 0 0 323.418 0.845 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CO1 ZINC000408421388 160104105 /nfs/dbraw/zinc/10/41/05/160104105.db2.gz JLPDSKDIBJTUNG-RHYQMDGZSA-N 0 0 304.412 0.388 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)CCC1CC1 ZINC000408423479 160105268 /nfs/dbraw/zinc/10/52/68/160105268.db2.gz YRARGPGVAYJEDT-NWDGAFQWSA-N 0 0 324.468 0.566 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)CC2CC(O)C2)C1 ZINC000408428051 160105918 /nfs/dbraw/zinc/10/59/18/160105918.db2.gz SNHMOCPTRBDROK-OTTFEQOBSA-N 0 0 318.439 0.277 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](C)[C@H]3CO)cnc12 ZINC000408427022 160106128 /nfs/dbraw/zinc/10/61/28/160106128.db2.gz MGWKEVTVBWQWOI-GXFFZTMASA-N 0 0 301.346 0.846 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000408432597 160107016 /nfs/dbraw/zinc/10/70/16/160107016.db2.gz HCOMAYOEDZDXSP-AWEZNQCLSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)[C@@H]1CCCO1 ZINC000408436402 160107841 /nfs/dbraw/zinc/10/78/41/160107841.db2.gz YOKLGMUUHFLYNX-JQWIXIFHSA-N 0 0 319.427 0.264 10 0 DCAERN CC1(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408457858 160112747 /nfs/dbraw/zinc/11/27/47/160112747.db2.gz CVMLZRRJHBMQIY-VHSXEESVSA-N 0 0 310.441 0.319 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408461665 160113308 /nfs/dbraw/zinc/11/33/08/160113308.db2.gz WGLOTIYPKRWMGW-SDDRHHMPSA-N 0 0 305.396 0.911 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000408464303 160113507 /nfs/dbraw/zinc/11/35/07/160113507.db2.gz DUGRSCUCXPIYBJ-BHYNMZESSA-N 0 0 322.336 0.860 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000094134764 292439593 /nfs/dbraw/zinc/43/95/93/292439593.db2.gz GGQDGBJSRAEBFS-VXGBXAGGSA-N 0 0 300.399 0.753 10 0 DCAERN CCN(C(=O)N[C@H](C)[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000046973318 286886861 /nfs/dbraw/zinc/88/68/61/286886861.db2.gz BNLXKTFSIOZZPO-UTUOFQBUSA-N 0 0 304.412 0.773 10 0 DCAERN CCCn1nccc1NC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000047391707 286887137 /nfs/dbraw/zinc/88/71/37/286887137.db2.gz GPUCOGPLFKSAGY-UHFFFAOYSA-N 0 0 322.413 0.579 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCCNC(=O)c1ccco1 ZINC000043644116 286885527 /nfs/dbraw/zinc/88/55/27/286885527.db2.gz MOFMPFVUPOJLHJ-UHFFFAOYSA-N 0 0 322.365 0.321 10 0 DCAERN C[C@H](CNC(=O)NCCCN1CCCC1=O)Cn1cccn1 ZINC000052497239 286894948 /nfs/dbraw/zinc/89/49/48/286894948.db2.gz LTMHHESPRBVOPK-CYBMUJFWSA-N 0 0 307.398 0.831 10 0 DCAERN COCCN(C)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070543688 286910168 /nfs/dbraw/zinc/91/01/68/286910168.db2.gz GTOPRMPAIUMXJN-UHFFFAOYSA-N 0 0 301.364 0.669 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000119921074 286950069 /nfs/dbraw/zinc/95/00/69/286950069.db2.gz VLKGMDKXLNWYNC-MNOVXSKESA-N 0 0 317.345 0.847 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000125765980 286968150 /nfs/dbraw/zinc/96/81/50/286968150.db2.gz LSCCWFRMBTYGAV-VIFPVBQESA-N 0 0 303.322 0.893 10 0 DCAERN CN(C)c1ncc(NC(=O)Cn2c3ccccc3[nH]c2=O)cn1 ZINC000126121405 286969493 /nfs/dbraw/zinc/96/94/93/286969493.db2.gz OWANPAAEQJBNMV-UHFFFAOYSA-N 0 0 312.333 0.824 10 0 DCAERN Cc1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c(C)n1 ZINC000132090984 287003473 /nfs/dbraw/zinc/00/34/73/287003473.db2.gz PHNQLSRGZRLEOB-GFCCVEGCSA-N 0 0 311.407 0.852 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000132088496 287003540 /nfs/dbraw/zinc/00/35/40/287003540.db2.gz SFDORKNPARGLSU-LBPRGKRZSA-N 0 0 320.320 0.992 10 0 DCAERN CNC(=O)Cc1nc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cs1 ZINC000132124152 287003873 /nfs/dbraw/zinc/00/38/73/287003873.db2.gz ZEAVQIODHUSMIA-NEPJUHHUSA-N 0 0 322.434 0.675 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000132223848 287004147 /nfs/dbraw/zinc/00/41/47/287004147.db2.gz JUQODMIRWGYLQF-NWDGAFQWSA-N 0 0 324.425 0.779 10 0 DCAERN C[C@@]1(NC(=O)c2nc3ccccc3c(=O)[nH]2)CCS(=O)(=O)C1 ZINC000131629749 287001324 /nfs/dbraw/zinc/00/13/24/287001324.db2.gz QMGNEHPCRZFAKY-CQSZACIVSA-N 0 0 321.358 0.230 10 0 DCAERN CC(C)OCCN1CCN(c2cncc(OCCO)n2)CC1 ZINC000133076148 287008860 /nfs/dbraw/zinc/00/88/60/287008860.db2.gz SWYBYVSHAGRJLM-UHFFFAOYSA-N 0 0 310.398 0.395 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCC(=O)NC(C)C ZINC000133906603 287013747 /nfs/dbraw/zinc/01/37/47/287013747.db2.gz PEBNCJDKGZRCPE-UHFFFAOYSA-N 0 0 309.370 0.263 10 0 DCAERN CCC1(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCC1 ZINC000135616382 287023997 /nfs/dbraw/zinc/02/39/97/287023997.db2.gz WFNYKWDXBMKFQM-UHFFFAOYSA-N 0 0 318.420 0.945 10 0 DCAERN C[C@@]1(CO)CCC[C@H]1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000135738472 287024391 /nfs/dbraw/zinc/02/43/91/287024391.db2.gz WTHYRYCTCCOLDY-OCCSQVGLSA-N 0 0 318.439 0.325 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000135512665 287022775 /nfs/dbraw/zinc/02/27/75/287022775.db2.gz OMAVRLFHRCUMDB-YPMHNXCESA-N 0 0 301.412 0.676 10 0 DCAERN CCCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000135506440 287022935 /nfs/dbraw/zinc/02/29/35/287022935.db2.gz FXWXQFXUTLHCIU-AAEUAGOBSA-N 0 0 318.439 0.732 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000152090294 287038492 /nfs/dbraw/zinc/03/84/92/287038492.db2.gz XPFLJJDZHXJIOF-CYBMUJFWSA-N 0 0 322.409 0.307 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCO[C@@H]2CCOC2)C1 ZINC000152343096 287040932 /nfs/dbraw/zinc/04/09/32/287040932.db2.gz FYESFXKCGWWTNE-QWHCGFSZSA-N 0 0 306.428 0.748 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194760023 287062414 /nfs/dbraw/zinc/06/24/14/287062414.db2.gz VJNKUWYAYVRUPV-LBPRGKRZSA-N 0 0 303.362 0.480 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1ccc2c(c1)CCN2 ZINC000237265849 287066506 /nfs/dbraw/zinc/06/65/06/287066506.db2.gz IOAZAZGZHYDXAJ-UHFFFAOYSA-N 0 0 305.378 0.831 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1(C(N)=O)CCCC1 ZINC000245588244 287071016 /nfs/dbraw/zinc/07/10/16/287071016.db2.gz FJLZHKOUELXPOV-ZIAGYGMSSA-N 0 0 323.437 0.886 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1 ZINC000246580141 287085653 /nfs/dbraw/zinc/08/56/53/287085653.db2.gz ZGPQVCNSWOLAJS-RDBSUJKOSA-N 0 0 311.426 0.158 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](COC)C1CC1 ZINC000246366207 287082308 /nfs/dbraw/zinc/08/23/08/287082308.db2.gz XXYIJKZODCHJOR-CHWSQXEVSA-N 0 0 318.439 0.732 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1C[C@H](C)O ZINC000246848925 287088463 /nfs/dbraw/zinc/08/84/63/287088463.db2.gz CBURVZSBNNSVSU-GXTWGEPZSA-N 0 0 320.393 0.324 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)no1 ZINC000246598520 287085843 /nfs/dbraw/zinc/08/58/43/287085843.db2.gz CUUCFIPQOWPFDB-NXEZZACHSA-N 0 0 301.368 0.429 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247087623 287091062 /nfs/dbraw/zinc/09/10/62/287091062.db2.gz NRLNEROXRFKCRZ-QWHCGFSZSA-N 0 0 302.440 0.752 10 0 DCAERN O=C1CCCN1C[C@H](O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000247118754 287091403 /nfs/dbraw/zinc/09/14/03/287091403.db2.gz RPMXHTSUSHLJAG-WBVHZDCISA-N 0 0 318.417 0.952 10 0 DCAERN C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209076 287092137 /nfs/dbraw/zinc/09/21/37/287092137.db2.gz ULOFMAMYBARZJD-NWDGAFQWSA-N 0 0 303.428 0.011 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000247964099 287095677 /nfs/dbraw/zinc/09/56/77/287095677.db2.gz DGQCZWNJVPNMIO-QWHCGFSZSA-N 0 0 306.428 0.342 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248671812 287099486 /nfs/dbraw/zinc/09/94/86/287099486.db2.gz BKAMKLUOZDQIIN-BDAKNGLRSA-N 0 0 302.318 0.715 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248668287 287099541 /nfs/dbraw/zinc/09/95/41/287099541.db2.gz ADOFRTYUNWIUHT-OLZOCXBDSA-N 0 0 305.444 0.104 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)nc1C ZINC000248652562 287099095 /nfs/dbraw/zinc/09/90/95/287099095.db2.gz UBQXCBCUZFCDAM-MNOVXSKESA-N 0 0 306.410 0.929 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2COCCO2)C[C@H]1CC ZINC000247586406 287094852 /nfs/dbraw/zinc/09/48/52/287094852.db2.gz ZSGYVYJFKFMRKU-ZIAGYGMSSA-N 0 0 300.399 0.361 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000248741947 287100838 /nfs/dbraw/zinc/10/08/38/287100838.db2.gz YOKWKPZAIMGRLO-COPLHBTASA-N 0 0 324.425 0.759 10 0 DCAERN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)[C@H](C)C1 ZINC000249551543 287113661 /nfs/dbraw/zinc/11/36/61/287113661.db2.gz ICOBVFDDTSTOEG-ZIAGYGMSSA-N 0 0 323.412 0.829 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249459881 287111193 /nfs/dbraw/zinc/11/11/93/287111193.db2.gz GMRFUCZMZGJYHG-NHCYSSNCSA-N 0 0 320.397 0.499 10 0 DCAERN COC[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000251980522 287120180 /nfs/dbraw/zinc/12/01/80/287120180.db2.gz VJOVPYGTVYOZSG-MCIONIFRSA-N 0 0 320.455 0.394 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000331251214 287145503 /nfs/dbraw/zinc/14/55/03/287145503.db2.gz XIXLMBRNGBKKID-INIZCTEOSA-N 0 0 306.362 0.490 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](CO)C1CC1 ZINC000358307615 287206373 /nfs/dbraw/zinc/20/63/73/287206373.db2.gz ILPAXTINYSLMOP-ZDUSSCGKSA-N 0 0 317.393 0.808 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)OC)C[C@@]2(CCOC2)O1 ZINC000369612324 287203628 /nfs/dbraw/zinc/20/36/28/287203628.db2.gz HLBPINPWWDEVSY-JHJVBQTASA-N 0 0 307.412 0.621 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000368866751 287222961 /nfs/dbraw/zinc/22/29/61/287222961.db2.gz OTKMGJTVKFNUOD-GXTWGEPZSA-N 0 0 320.418 0.680 10 0 DCAERN CCN(CCCNC(=O)c1ccc(COC)o1)S(C)(=O)=O ZINC000131713780 196192740 /nfs/dbraw/zinc/19/27/40/196192740.db2.gz ROIPURBZTBKJQX-UHFFFAOYSA-N 0 0 318.395 0.827 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268226719 415179257 /nfs/dbraw/zinc/17/92/57/415179257.db2.gz XKUBPIXCBYLHDU-LLVKDONJSA-N 0 0 314.411 0.490 10 0 DCAERN CCNS(=O)(=O)c1ccccc1N1CCN(CCO)CC1 ZINC000040452396 415198736 /nfs/dbraw/zinc/19/87/36/415198736.db2.gz VGBQADOLGBFAPI-UHFFFAOYSA-N 0 0 313.423 0.099 10 0 DCAERN C[C@H](CNC(=O)N(C)CC(=O)NC(C)(C)C)N1CCOCC1 ZINC000046264845 415257784 /nfs/dbraw/zinc/25/77/84/415257784.db2.gz DWMOLCZDADJYJB-GFCCVEGCSA-N 0 0 314.430 0.263 10 0 DCAERN CNC(=O)c1ccc(N2CCN(CC(F)(F)F)[C@H](C)C2)nn1 ZINC000270617872 415259804 /nfs/dbraw/zinc/25/98/04/415259804.db2.gz BMTCTWQHSNXOBT-SECBINFHSA-N 0 0 317.315 0.909 10 0 DCAERN CNC(=O)CNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000054046299 415323215 /nfs/dbraw/zinc/32/32/15/415323215.db2.gz GRVQHUCDWVJTGW-SNVBAGLBSA-N 0 0 302.338 0.374 10 0 DCAERN CC(C)C(=O)NCCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072561055 415415311 /nfs/dbraw/zinc/41/53/11/415415311.db2.gz TUKBHBBUGPGUEG-UHFFFAOYSA-N 0 0 317.353 0.556 10 0 DCAERN NC(=O)NC(=O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000067442749 415376164 /nfs/dbraw/zinc/37/61/64/415376164.db2.gz RFIHJOCVNJWSAX-UHFFFAOYSA-N 0 0 302.338 0.104 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081085017 415482589 /nfs/dbraw/zinc/48/25/89/415482589.db2.gz ZWCUKISTVIGAKL-CMPLNLGQSA-N 0 0 312.332 0.917 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CCNC(=O)CC2)c1 ZINC000276102376 415431108 /nfs/dbraw/zinc/43/11/08/415431108.db2.gz KTQWFCZQCRIREJ-UHFFFAOYSA-N 0 0 303.318 0.176 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@@H]21 ZINC000332751267 415462551 /nfs/dbraw/zinc/46/25/51/415462551.db2.gz BVDKJDOJRAYGHT-KBPBESRZSA-N 0 0 305.382 0.134 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3noc(C4CC4)n3)C[C@@H]21 ZINC000332765166 415464613 /nfs/dbraw/zinc/46/46/13/415464613.db2.gz LKROPYZXSQHMEQ-QWRGUYRKSA-N 0 0 307.354 0.171 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000080422569 415479271 /nfs/dbraw/zinc/47/92/71/415479271.db2.gz KEOMKDUSRWKPJX-NSHDSACASA-N 0 0 316.361 0.457 10 0 DCAERN Cn1cc(NC(=O)Cc2c(F)cccc2F)c(=O)n(C)c1=O ZINC000087316703 415514659 /nfs/dbraw/zinc/51/46/59/415514659.db2.gz AGPGWQDANZTPHU-UHFFFAOYSA-N 0 0 309.272 0.543 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000091770962 415539578 /nfs/dbraw/zinc/53/95/78/415539578.db2.gz BMUHYEYMOSWIJR-SWLSCSKDSA-N 0 0 323.780 0.864 10 0 DCAERN CCS(=O)(=O)C1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000333035282 415539610 /nfs/dbraw/zinc/53/96/10/415539610.db2.gz IJRDJBIERIOMKQ-XQQFMLRXSA-N 0 0 301.408 0.837 10 0 DCAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@]1(O)CCSC1 ZINC000333094484 415557533 /nfs/dbraw/zinc/55/75/33/415557533.db2.gz UBYUVTPMJFRKTF-XUJVJEKNSA-N 0 0 312.435 0.762 10 0 DCAERN O=C(CCNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333137740 415567199 /nfs/dbraw/zinc/56/71/99/415567199.db2.gz IVGDIQCWYTYJCF-FRRDWIJNSA-N 0 0 316.423 0.343 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333157338 415573520 /nfs/dbraw/zinc/57/35/20/415573520.db2.gz LIRUXXVDIXIORD-RHYQMDGZSA-N 0 0 322.452 0.258 10 0 DCAERN COC[C@H]1CN(c2ccnc(N3CCOCC3)n2)CC(C)(C)O1 ZINC000343546785 415632814 /nfs/dbraw/zinc/63/28/14/415632814.db2.gz WZFFKSPXUDSGKU-CYBMUJFWSA-N 0 0 322.409 0.943 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCNC[C@@](C)(F)C1 ZINC000333418691 415643231 /nfs/dbraw/zinc/64/32/31/415643231.db2.gz SETMKXDBNGRFHY-YRGRVCCFSA-N 0 0 303.378 0.523 10 0 DCAERN C[C@H]1CN(C(=O)c2cn3ccnc3s2)CCS(=O)(=O)C1 ZINC000333431225 415648237 /nfs/dbraw/zinc/64/82/37/415648237.db2.gz KBPCGANJHWSMQP-VIFPVBQESA-N 0 0 313.404 0.903 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333187578 415579438 /nfs/dbraw/zinc/57/94/38/415579438.db2.gz RFYZFYDKRKNOEZ-KXNHARMFSA-N 0 0 322.452 0.128 10 0 DCAERN CCc1nn(C)cc1NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284851168 415600256 /nfs/dbraw/zinc/60/02/56/415600256.db2.gz QJBQGEMJNUCEOV-KGLIPLIRSA-N 0 0 307.398 0.919 10 0 DCAERN O=S(=O)(N[C@@H]1CCN(c2ccccc2)C1)N1CCOCC1 ZINC000106892427 415653218 /nfs/dbraw/zinc/65/32/18/415653218.db2.gz WUGZITLNKIFASG-CYBMUJFWSA-N 0 0 311.407 0.432 10 0 DCAERN C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000333542546 415677669 /nfs/dbraw/zinc/67/76/69/415677669.db2.gz JKKCHHLUDWFAND-VHSXEESVSA-N 0 0 322.331 0.543 10 0 DCAERN Cn1ncc2c1C[C@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000289761481 415716822 /nfs/dbraw/zinc/71/68/22/415716822.db2.gz PFVXOETVOSSFQQ-BXUZGUMPSA-N 0 0 314.393 0.748 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CC3)CC1)CC2 ZINC000114978194 415724696 /nfs/dbraw/zinc/72/46/96/415724696.db2.gz HSKOQWMCELWREI-GFCCVEGCSA-N 0 0 318.425 0.645 10 0 DCAERN c1cc(NCCCOC[C@@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000354050628 415731144 /nfs/dbraw/zinc/73/11/44/415731144.db2.gz YJDSXDINTQNNJW-AWEZNQCLSA-N 0 0 322.409 1.311 10 0 DCAERN CCCc1cc(=O)n2nc(N3C[C@@H](OC)C[C@H]3CO)sc2n1 ZINC000343750705 415708879 /nfs/dbraw/zinc/70/88/79/415708879.db2.gz ZVIDMGFSXLPFSM-QWRGUYRKSA-N 0 0 324.406 0.690 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000120319696 415763920 /nfs/dbraw/zinc/76/39/20/415763920.db2.gz JWZDWKDPWYXLOI-WDEREUQCSA-N 0 0 321.381 0.392 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCSC[C@@H]1C1CC1 ZINC000333958368 415771996 /nfs/dbraw/zinc/77/19/96/415771996.db2.gz IYGIMAASIYBHES-SNVBAGLBSA-N 0 0 318.406 0.763 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(Cl)c(F)c1 ZINC000122652510 415836493 /nfs/dbraw/zinc/83/64/93/415836493.db2.gz OHCGJBHIVFTLEO-NSHDSACASA-N 0 0 316.760 0.902 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000123543565 415843071 /nfs/dbraw/zinc/84/30/71/415843071.db2.gz WAAJTRKCSULKBN-VIFPVBQESA-N 0 0 310.379 0.521 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000124168704 415849765 /nfs/dbraw/zinc/84/97/65/415849765.db2.gz ZSHMSCVLCLXLEA-CYBMUJFWSA-N 0 0 324.425 0.698 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc3n[nH]nc3c2)n1 ZINC000121135075 415793079 /nfs/dbraw/zinc/79/30/79/415793079.db2.gz SGTFYZBYWWFEMY-GFCCVEGCSA-N 0 0 314.305 0.863 10 0 DCAERN C[C@H]1CCC[C@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334087405 415804435 /nfs/dbraw/zinc/80/44/35/415804435.db2.gz MOFXLWIISLEMNR-FMSGJZPZSA-N 0 0 309.370 0.068 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)no2)c1 ZINC000121674619 415814393 /nfs/dbraw/zinc/81/43/93/415814393.db2.gz GKUYJBMUYUKHTL-LBPRGKRZSA-N 0 0 303.366 0.909 10 0 DCAERN Cn1ncc(Br)c1CNC[C@H]1CN(C)CCO1 ZINC000336697464 415815160 /nfs/dbraw/zinc/81/51/60/415815160.db2.gz IYSMVQJCJCLULN-VIFPVBQESA-N 0 0 303.204 0.603 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122040009 415823198 /nfs/dbraw/zinc/82/31/98/415823198.db2.gz ZBFAXNNSPZOVPM-NEPJUHHUSA-N 0 0 316.423 0.423 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122041556 415823689 /nfs/dbraw/zinc/82/36/89/415823689.db2.gz UAIRLUUIDQRVBC-NEPJUHHUSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CCS1(=O)=O ZINC000121939776 415824213 /nfs/dbraw/zinc/82/42/13/415824213.db2.gz AWRKDELFOVYAGO-NSHDSACASA-N 0 0 322.390 0.470 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCOC[C@H](O)C1 ZINC000295431131 415890857 /nfs/dbraw/zinc/89/08/57/415890857.db2.gz DAPQYVJDEIEFTM-DGCLKSJQSA-N 0 0 306.362 0.909 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2[C@H](C)COC[C@@H]2C)CC1 ZINC000130908787 415924481 /nfs/dbraw/zinc/92/44/81/415924481.db2.gz OWWPKJSGDXBYCI-TXEJJXNPSA-N 0 0 318.439 0.684 10 0 DCAERN COc1ccc(CNC(=O)CN(CC(N)=O)C(C)(C)C)cc1 ZINC000133929453 415951964 /nfs/dbraw/zinc/95/19/64/415951964.db2.gz BBZLNPQGCHFUKD-UHFFFAOYSA-N 0 0 307.394 0.897 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)CCO ZINC000133917843 415952105 /nfs/dbraw/zinc/95/21/05/415952105.db2.gz HILDYGKDWLOYDI-SSDOTTSWSA-N 0 0 305.352 0.732 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N3CCNC(=O)CC3)ccc2o1 ZINC000133747842 415952836 /nfs/dbraw/zinc/95/28/36/415952836.db2.gz IVXHRMPEJMVBMP-UHFFFAOYSA-N 0 0 316.317 0.423 10 0 DCAERN C[C@]1(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCCO1 ZINC000151282332 415963735 /nfs/dbraw/zinc/96/37/35/415963735.db2.gz ZICANLGDOIERBF-MRXNPFEDSA-N 0 0 310.394 0.653 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C2)cn1 ZINC000152944527 415973026 /nfs/dbraw/zinc/97/30/26/415973026.db2.gz CRKFFNGAYBYZDQ-LLVKDONJSA-N 0 0 313.423 0.949 10 0 DCAERN Cn1c(=O)c2cc(NC(=O)[C@@H]3CC3(C)C)cnc2n(C)c1=O ZINC000153590132 415984628 /nfs/dbraw/zinc/98/46/28/415984628.db2.gz KQZOVHCFZLYJKY-JTQLQIEISA-N 0 0 302.334 0.617 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccnc(-n2cncn2)c1 ZINC000155136662 415994586 /nfs/dbraw/zinc/99/45/86/415994586.db2.gz QSNUPNYLUGIJGJ-TXEJJXNPSA-N 0 0 300.366 0.827 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C(=O)C1)CC2 ZINC000155368327 415996208 /nfs/dbraw/zinc/99/62/08/415996208.db2.gz UQSUEHKCXNJJSD-LLVKDONJSA-N 0 0 320.397 0.200 10 0 DCAERN O=C(CCN1C(=O)CCc2ccccc21)N1CCNC(=O)CC1 ZINC000158742437 416002337 /nfs/dbraw/zinc/00/23/37/416002337.db2.gz MCTGVLSMHOZLKF-UHFFFAOYSA-N 0 0 315.373 0.704 10 0 DCAERN CC(=O)CSCC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337714744 416000247 /nfs/dbraw/zinc/00/02/47/416000247.db2.gz FBICITIRGWRXOY-QWRGUYRKSA-N 0 0 322.452 0.143 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000132448965 415932972 /nfs/dbraw/zinc/93/29/72/415932972.db2.gz LCIBZUNLZWAYLN-FZMZJTMJSA-N 0 0 300.424 0.618 10 0 DCAERN CNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986603 416042655 /nfs/dbraw/zinc/04/26/55/416042655.db2.gz ZSZPHZATEMJAPJ-IUODEOHRSA-N 0 0 303.362 0.458 10 0 DCAERN CCNC(=O)c1ccc(NC[C@H]2CCc3nccn3C2)nn1 ZINC000345118668 416048157 /nfs/dbraw/zinc/04/81/57/416048157.db2.gz YDOMNOUWRXBOSP-LLVKDONJSA-N 0 0 300.366 1.097 10 0 DCAERN CCN1CCN(c2ccc(C(=O)NCCC(N)=O)cc2F)CC1 ZINC000173016145 416050778 /nfs/dbraw/zinc/05/07/78/416050778.db2.gz HVGKGXHDLOHIHL-UHFFFAOYSA-N 0 0 322.384 0.573 10 0 DCAERN CCNC(=O)CNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173377011 416056900 /nfs/dbraw/zinc/05/69/00/416056900.db2.gz STCDMUJBMITWCJ-UHFFFAOYSA-N 0 0 319.409 0.794 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000173315075 416057838 /nfs/dbraw/zinc/05/78/38/416057838.db2.gz AXUZYIXAWUEWRV-LLVKDONJSA-N 0 0 302.386 0.590 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173421237 416058072 /nfs/dbraw/zinc/05/80/72/416058072.db2.gz CRAQHXMTZWDMNT-GFCCVEGCSA-N 0 0 316.427 0.345 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173474526 416058131 /nfs/dbraw/zinc/05/81/31/416058131.db2.gz SOORTLZUXZTDFP-JTQLQIEISA-N 0 0 318.443 0.381 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC000173453008 416058500 /nfs/dbraw/zinc/05/85/00/416058500.db2.gz NGXBIAXOYNZCRZ-JTQLQIEISA-N 0 0 315.439 0.909 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173644943 416061922 /nfs/dbraw/zinc/06/19/22/416061922.db2.gz XFRNONAJPNEZKK-AWEZNQCLSA-N 0 0 318.439 0.149 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2noc(C)n2)cc1 ZINC000173624521 416062283 /nfs/dbraw/zinc/06/22/83/416062283.db2.gz BMDSEJJLMFZYAL-UHFFFAOYSA-N 0 0 304.306 0.433 10 0 DCAERN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173626827 416062818 /nfs/dbraw/zinc/06/28/18/416062818.db2.gz VXVIOLQZFXRRNB-NWDGAFQWSA-N 0 0 309.414 0.806 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCC(C)(C)O)C2=O)n(C)n1 ZINC000173569211 416062828 /nfs/dbraw/zinc/06/28/28/416062828.db2.gz FFJMWVVADNMLFN-LLVKDONJSA-N 0 0 323.397 0.294 10 0 DCAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000173803996 416065712 /nfs/dbraw/zinc/06/57/12/416065712.db2.gz LQNUUPUWHXTCBF-LLVKDONJSA-N 0 0 313.423 0.903 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000174453790 416080292 /nfs/dbraw/zinc/08/02/92/416080292.db2.gz HLOHEBOQXHWRNG-CHWSQXEVSA-N 0 0 321.425 0.553 10 0 DCAERN CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173936260 416070761 /nfs/dbraw/zinc/07/07/61/416070761.db2.gz SCXWNDZSXZHERL-MRXNPFEDSA-N 0 0 303.406 0.953 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000300164745 416072679 /nfs/dbraw/zinc/07/26/79/416072679.db2.gz JQGQKRGGGSJWLT-KKOKHZNYSA-N 0 0 305.396 0.409 10 0 DCAERN CCS(=O)(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174042174 416072814 /nfs/dbraw/zinc/07/28/14/416072814.db2.gz AKBZBUGQFUUFHO-JTQLQIEISA-N 0 0 300.384 0.163 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)C(C)C ZINC000158859044 416003215 /nfs/dbraw/zinc/00/32/15/416003215.db2.gz GZXAFVBVZQPGPW-MRVPVSSYSA-N 0 0 307.393 0.830 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C/C=C\c2ccc(F)cc2)CCO1 ZINC000337884122 416018673 /nfs/dbraw/zinc/01/86/73/416018673.db2.gz UQRAXKPAWVGHKG-RXYHWBRQSA-N 0 0 321.396 0.957 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000174726985 416085001 /nfs/dbraw/zinc/08/50/01/416085001.db2.gz WDJKFXZQBMFZMA-GFCCVEGCSA-N 0 0 307.350 0.365 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1=O ZINC000174910949 416091075 /nfs/dbraw/zinc/09/10/75/416091075.db2.gz CWBJBCRGUAOTNE-JTQLQIEISA-N 0 0 307.350 0.584 10 0 DCAERN c1nc(NC[C@@H]2CN3CCN2CC3)cc(N2CCCCC2)n1 ZINC000301756623 416091189 /nfs/dbraw/zinc/09/11/89/416091189.db2.gz DUJVVFUOWSANTC-CQSZACIVSA-N 0 0 302.426 0.879 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ncoc3C)C2=O)n(C)n1 ZINC000174977166 416091810 /nfs/dbraw/zinc/09/18/10/416091810.db2.gz TXNAIEFQQAXJHQ-LLVKDONJSA-N 0 0 317.349 0.950 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1=O ZINC000174945975 416092316 /nfs/dbraw/zinc/09/23/16/416092316.db2.gz MTFKKINVBLMENI-OLZOCXBDSA-N 0 0 320.397 0.634 10 0 DCAERN CCc1nnc2ccc(N3CCN(C(=O)CCOC)CC3)nn21 ZINC000302713363 416097193 /nfs/dbraw/zinc/09/71/93/416097193.db2.gz XLIPJLMBLIZBAF-UHFFFAOYSA-N 0 0 318.381 0.372 10 0 DCAERN O=C(NN1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000175161149 416098173 /nfs/dbraw/zinc/09/81/73/416098173.db2.gz LFLBVGYPXJICBK-UHFFFAOYSA-N 0 0 317.389 0.902 10 0 DCAERN CCO[C@H]1C[C@@H](N(C)C(=O)CS(=O)(=O)NC)C12CCCC2 ZINC000175216138 416099211 /nfs/dbraw/zinc/09/92/11/416099211.db2.gz NRVNZWYRVZRKPH-NEPJUHHUSA-N 0 0 318.439 0.732 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)c1ccco1 ZINC000175353304 416103799 /nfs/dbraw/zinc/10/37/99/416103799.db2.gz RMEVDAYZZYIYCZ-UTUOFQBUSA-N 0 0 318.395 0.911 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000178091138 416155982 /nfs/dbraw/zinc/15/59/82/416155982.db2.gz MWSNXTZQPKGLDO-HNNXBMFYSA-N 0 0 305.334 0.375 10 0 DCAERN CC(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000357633734 416109066 /nfs/dbraw/zinc/10/90/66/416109066.db2.gz MAVIPVYPRXZHOO-LBPRGKRZSA-N 0 0 324.425 0.698 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000175548459 416109448 /nfs/dbraw/zinc/10/94/48/416109448.db2.gz BAYYLDQGFZVENQ-GFCCVEGCSA-N 0 0 319.369 0.401 10 0 DCAERN O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@](O)(CO)C1 ZINC000313651195 416109569 /nfs/dbraw/zinc/10/95/69/416109569.db2.gz BHMHTHJAVKGYNI-GFCCVEGCSA-N 0 0 307.318 0.473 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000175707590 416113058 /nfs/dbraw/zinc/11/30/58/416113058.db2.gz GCMMOQDERXUCMY-GFCCVEGCSA-N 0 0 322.413 0.166 10 0 DCAERN O=C1NC[C@@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCN12 ZINC000175855611 416115233 /nfs/dbraw/zinc/11/52/33/416115233.db2.gz LNCBJJAOQUDWAC-YSKGHYERSA-N 0 0 307.375 0.697 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000176039140 416118663 /nfs/dbraw/zinc/11/86/63/416118663.db2.gz MCVSLLJCYIEJBF-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c[nH]1 ZINC000357720319 416121527 /nfs/dbraw/zinc/12/15/27/416121527.db2.gz GLAKIDFMXRCFHK-DTORHVGOSA-N 0 0 314.363 0.449 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(CC(=O)Nc2cc(C)on2)C1 ZINC000328615000 416123003 /nfs/dbraw/zinc/12/30/03/416123003.db2.gz APEHDMXNYFWHTN-GHMZBOCLSA-N 0 0 321.337 1.075 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCC(C)(C)CCCO ZINC000357736611 416123599 /nfs/dbraw/zinc/12/35/99/416123599.db2.gz ZXSQCKBJWMLVKG-UHFFFAOYSA-N 0 0 310.398 0.890 10 0 DCAERN CC[C@@H](C)CN1C(=O)N[C@H](Cc2cn(CCOC)nn2)C1=O ZINC000328610826 416123762 /nfs/dbraw/zinc/12/37/62/416123762.db2.gz JFMDVGLMUJSIAJ-ZYHUDNBSSA-N 0 0 309.370 0.638 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000176284098 416123940 /nfs/dbraw/zinc/12/39/40/416123940.db2.gz FJWWGNODHUXBJY-ZIAGYGMSSA-N 0 0 319.409 0.986 10 0 DCAERN CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2nccc(N)n2)c1=O ZINC000328627217 416123960 /nfs/dbraw/zinc/12/39/60/416123960.db2.gz FWEQXRLXILFRMI-MFKMUULPSA-N 0 0 318.381 1.144 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000338708973 416129186 /nfs/dbraw/zinc/12/91/86/416129186.db2.gz PQQLWVSOIGCLPA-SSDOTTSWSA-N 0 0 309.288 0.228 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000176606006 416129247 /nfs/dbraw/zinc/12/92/47/416129247.db2.gz IQDFIJVLZCGYOF-CYBMUJFWSA-N 0 0 320.393 0.441 10 0 DCAERN CCCc1cc(=O)n2nc(NC[C@H](CO)C3CC3)sc2n1 ZINC000357776357 416130641 /nfs/dbraw/zinc/13/06/41/416130641.db2.gz UVYYWPOJHRGWEB-SNVBAGLBSA-N 0 0 308.407 1.534 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cnn1C ZINC000176663407 416131190 /nfs/dbraw/zinc/13/11/90/416131190.db2.gz LCHGMRSBVGITMT-LLVKDONJSA-N 0 0 320.271 0.193 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cnn1C ZINC000176663428 416131628 /nfs/dbraw/zinc/13/16/28/416131628.db2.gz LCHGMRSBVGITMT-NSHDSACASA-N 0 0 320.271 0.193 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@@H](C)Cn2cccn2)[C@H](C)C1 ZINC000357804070 416134077 /nfs/dbraw/zinc/13/40/77/416134077.db2.gz YZLJVLRUJVMQLX-CHWSQXEVSA-N 0 0 307.398 0.781 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N[C@H](CC(N)=O)C2CCOCC2)n1 ZINC000176876537 416136034 /nfs/dbraw/zinc/13/60/34/416136034.db2.gz JTWSBWHFUUVNLR-TZMCWYRMSA-N 0 0 322.409 0.848 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC000357828666 416138344 /nfs/dbraw/zinc/13/83/44/416138344.db2.gz ABXQBLZLDAIHNO-DGCLKSJQSA-N 0 0 310.398 0.260 10 0 DCAERN O=C(c1ncncc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000177194047 416141904 /nfs/dbraw/zinc/14/19/04/416141904.db2.gz HZMMTJGPGYTIDA-LLVKDONJSA-N 0 0 310.785 0.924 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000177447226 416145996 /nfs/dbraw/zinc/14/59/96/416145996.db2.gz BIXMCHRLRCYWAD-LBPRGKRZSA-N 0 0 319.365 0.444 10 0 DCAERN O=C(CSC[C@@H](O)CO)N1CCN(Cc2ccco2)CC1 ZINC000177444338 416146103 /nfs/dbraw/zinc/14/61/03/416146103.db2.gz MNCJRBSZLWPKBI-LBPRGKRZSA-N 0 0 314.407 0.010 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCN(C(C)=O)C[C@H]2C)ccn1 ZINC000357900117 416150363 /nfs/dbraw/zinc/15/03/63/416150363.db2.gz NZHUKRRVHAQCFT-SNVBAGLBSA-N 0 0 305.334 0.561 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@H]1N1CCOCC1 ZINC000177867521 416153244 /nfs/dbraw/zinc/15/32/44/416153244.db2.gz TYNGAHAFRIMBPV-TZMCWYRMSA-N 0 0 320.393 0.570 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178654991 416167702 /nfs/dbraw/zinc/16/77/02/416167702.db2.gz PNKPRMTVHGXLHD-JSGCOSHPSA-N 0 0 301.350 0.571 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(CNC(C)=O)s1)C(C)C ZINC000178718949 416170319 /nfs/dbraw/zinc/17/03/19/416170319.db2.gz VVMSQUKTXXNMJV-LBPRGKRZSA-N 0 0 311.407 0.885 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(C)C ZINC000178841852 416173939 /nfs/dbraw/zinc/17/39/39/416173939.db2.gz SXWWISQDTRPRQR-LBPRGKRZSA-N 0 0 312.391 0.591 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)C(C)C ZINC000178953425 416177815 /nfs/dbraw/zinc/17/78/15/416177815.db2.gz HHOSCODBSFGWJL-LLVKDONJSA-N 0 0 317.353 0.554 10 0 DCAERN CCC[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CCO1 ZINC000178986825 416179841 /nfs/dbraw/zinc/17/98/41/416179841.db2.gz CODDTQXZYVGILP-LBPRGKRZSA-N 0 0 312.391 0.975 10 0 DCAERN CCn1cc(C(=O)C(=O)N[C@H](C)C(=O)N2CCCCC2)cn1 ZINC000179043598 416181701 /nfs/dbraw/zinc/18/17/01/416181701.db2.gz XYLIDZWADDFXFP-LLVKDONJSA-N 0 0 306.366 0.603 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)c1 ZINC000358063561 416182577 /nfs/dbraw/zinc/18/25/77/416182577.db2.gz NRZZDARNVGXLHI-AAEUAGOBSA-N 0 0 305.378 0.490 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179157087 416183486 /nfs/dbraw/zinc/18/34/86/416183486.db2.gz WSBSUBVZUOHXAV-JSGCOSHPSA-N 0 0 314.345 0.442 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc2c(c1)C(=O)NC2=O ZINC000179215407 416184893 /nfs/dbraw/zinc/18/48/93/416184893.db2.gz YFGFJQDMWOJFRZ-ZWNOBZJWSA-N 0 0 302.330 0.851 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)c1ncc(OC)cn1 ZINC000329690655 416186139 /nfs/dbraw/zinc/18/61/39/416186139.db2.gz DDKHUYQHXVYGMN-SNVBAGLBSA-N 0 0 310.379 0.760 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC000179409970 416187100 /nfs/dbraw/zinc/18/71/00/416187100.db2.gz LWXLWMDFTVXZBU-KBPBESRZSA-N 0 0 311.426 0.303 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1N1CCOCC1 ZINC000329728949 416187194 /nfs/dbraw/zinc/18/71/94/416187194.db2.gz HJSYGGIWZFIHMQ-HZSPNIEDSA-N 0 0 309.410 0.922 10 0 DCAERN COc1ccc([C@H](C)NC(=O)Cn2ncn(C)c2=O)cc1F ZINC000179394522 416187582 /nfs/dbraw/zinc/18/75/82/416187582.db2.gz HMPBLKZNIPJTOS-VIFPVBQESA-N 0 0 308.313 0.607 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000179562422 416190586 /nfs/dbraw/zinc/19/05/86/416190586.db2.gz VTJVYLJXEPKNOO-NXEZZACHSA-N 0 0 308.386 0.621 10 0 DCAERN COCc1ccsc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000179886517 416192903 /nfs/dbraw/zinc/19/29/03/416192903.db2.gz AIIYIZAHHVTVEE-UHFFFAOYSA-N 0 0 318.420 0.612 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)s1 ZINC000358113960 416193838 /nfs/dbraw/zinc/19/38/38/416193838.db2.gz QBSPIKOKAZBYPL-VIFPVBQESA-N 0 0 312.395 0.579 10 0 DCAERN CCCNC(=O)[C@H](C)S(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180278943 416195442 /nfs/dbraw/zinc/19/54/42/416195442.db2.gz PPOQRDBBHUFYOE-QMMMGPOBSA-N 0 0 320.440 0.434 10 0 DCAERN COCC[C@](C)(O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000180311026 416196263 /nfs/dbraw/zinc/19/62/63/416196263.db2.gz LEXXMDYSPDHRSA-INIZCTEOSA-N 0 0 319.361 0.520 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000346592885 416199066 /nfs/dbraw/zinc/19/90/66/416199066.db2.gz VEOOGNQCCLCENA-UHFFFAOYSA-N 0 0 307.354 0.960 10 0 DCAERN COCCN(CC(=O)N(C)C)Cc1nnc(C2CCC2)n1C ZINC000181103951 416203910 /nfs/dbraw/zinc/20/39/10/416203910.db2.gz MIVLJCHJEHZGMT-UHFFFAOYSA-N 0 0 309.414 0.619 10 0 DCAERN COCCCNC(=O)CN(C)Cc1nnc(C2CCC2)n1C ZINC000181079339 416205072 /nfs/dbraw/zinc/20/50/72/416205072.db2.gz HGYMSDGXUFANCX-UHFFFAOYSA-N 0 0 309.414 0.667 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181362567 416206087 /nfs/dbraw/zinc/20/60/87/416206087.db2.gz UDLSIVRMKBXBOS-JTQLQIEISA-N 0 0 315.399 0.140 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCNC[C@@H]2c2cnn(C)c2)n1 ZINC000181376533 416206743 /nfs/dbraw/zinc/20/67/43/416206743.db2.gz HMCGANRPQHJWFJ-CQSZACIVSA-N 0 0 302.382 0.407 10 0 DCAERN COC(=O)[C@H]1CN(Cc2nnc(C3CCC3)n2C)C[C@@H](C)O1 ZINC000181426544 416207487 /nfs/dbraw/zinc/20/74/87/416207487.db2.gz MFSLCKKRDSYUDX-ZYHUDNBSSA-N 0 0 308.382 0.845 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000341493061 416209889 /nfs/dbraw/zinc/20/98/89/416209889.db2.gz VIKCJRZABDHWAZ-UONOGXRCSA-N 0 0 324.425 0.731 10 0 DCAERN COC1(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)CCC1 ZINC000181806318 416211241 /nfs/dbraw/zinc/21/12/41/416211241.db2.gz KMNCZWMZFCOJMI-KGLIPLIRSA-N 0 0 311.426 0.918 10 0 DCAERN CCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181859838 416211846 /nfs/dbraw/zinc/21/18/46/416211846.db2.gz QSGVWQADPLIOOR-UHFFFAOYSA-N 0 0 311.285 0.515 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000181968714 416214483 /nfs/dbraw/zinc/21/44/83/416214483.db2.gz JOUXINKHWWRXMJ-RAGMHUQYSA-N 0 0 321.421 0.800 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(OC)ncn1)CC2 ZINC000182206869 416214979 /nfs/dbraw/zinc/21/49/79/416214979.db2.gz HFRDBCPAHOMHRA-SECBINFHSA-N 0 0 317.353 0.776 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)c1cccc(F)c1 ZINC000330643631 416220942 /nfs/dbraw/zinc/22/09/42/416220942.db2.gz RURZPYVSVWEAJW-OLZOCXBDSA-N 0 0 312.366 0.897 10 0 DCAERN COCc1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000182387230 416221345 /nfs/dbraw/zinc/22/13/45/416221345.db2.gz BZWHBKMBBUUYNJ-LBPRGKRZSA-N 0 0 324.381 0.287 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000358296650 416222320 /nfs/dbraw/zinc/22/23/20/416222320.db2.gz CGZZVMCYXLFUBU-UWVGGRQHSA-N 0 0 308.300 0.532 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N(CCO)C1CC1 ZINC000182529283 416224136 /nfs/dbraw/zinc/22/41/36/416224136.db2.gz QCYZSXFUTLPYSB-AWEZNQCLSA-N 0 0 318.377 0.743 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000182592168 416225647 /nfs/dbraw/zinc/22/56/47/416225647.db2.gz GEAWIGHIQQTIAR-GZBFAFLISA-N 0 0 305.378 0.734 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182586415 416226179 /nfs/dbraw/zinc/22/61/79/416226179.db2.gz WYFXWEMXGKZTPG-UHFFFAOYSA-N 0 0 321.303 0.837 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000182549226 416226721 /nfs/dbraw/zinc/22/67/21/416226721.db2.gz CICFPBCWWREVFT-AAEUAGOBSA-N 0 0 306.362 0.836 10 0 DCAERN Cn1cnn(CC(=O)NCc2cccc(-c3ccccn3)c2)c1=O ZINC000182619047 416228304 /nfs/dbraw/zinc/22/83/04/416228304.db2.gz QJLRKADHQXNXPP-UHFFFAOYSA-N 0 0 323.356 0.960 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCC(=O)NC(C)C)no1 ZINC000358463449 416241389 /nfs/dbraw/zinc/24/13/89/416241389.db2.gz HLLCWIXPNFGJJI-VIFPVBQESA-N 0 0 313.358 0.491 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000183568584 416247202 /nfs/dbraw/zinc/24/72/02/416247202.db2.gz ARDRPILHFPGSGG-QWRGUYRKSA-N 0 0 304.346 0.990 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)Cc3noc(C)n3)C2=O)n(C)n1 ZINC000183710039 416247831 /nfs/dbraw/zinc/24/78/31/416247831.db2.gz QGFOVEDORUHWRV-LLVKDONJSA-N 0 0 304.354 0.657 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H]1Cn1ccnc1)NCC1CC1 ZINC000183785805 416250192 /nfs/dbraw/zinc/25/01/92/416250192.db2.gz FKQCHUKKXXMRSB-CYBMUJFWSA-N 0 0 305.382 0.583 10 0 DCAERN C[C@H](C(=O)N1CCCc2ccccc21)N1C[C@H](O)C[C@@H]1CO ZINC000184717373 416252773 /nfs/dbraw/zinc/25/27/73/416252773.db2.gz LLEZHNYBBCAGOJ-BPLDGKMQSA-N 0 0 304.390 0.782 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCN1CCO[C@]2(CCOC2)C1 ZINC000185199481 416253420 /nfs/dbraw/zinc/25/34/20/416253420.db2.gz FPDRCCGHSDLUNS-QGZVFWFLSA-N 0 0 316.357 0.774 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CCC1=O ZINC000186602206 416259512 /nfs/dbraw/zinc/25/95/12/416259512.db2.gz OIHPCHUNNIURKG-KOLCDFICSA-N 0 0 304.412 0.388 10 0 DCAERN COCCc1noc(CN2CCN(c3cc(C)[nH]n3)CC2)n1 ZINC000187206788 416260406 /nfs/dbraw/zinc/26/04/06/416260406.db2.gz MNOOGSRQFTUNLL-UHFFFAOYSA-N 0 0 306.370 0.612 10 0 DCAERN COc1cccc(CCNC(=O)N(C)CCNC(=O)N(C)C)n1 ZINC000358715870 416272254 /nfs/dbraw/zinc/27/22/54/416272254.db2.gz ZPQSHHIEAKTLSE-UHFFFAOYSA-N 0 0 323.397 0.545 10 0 DCAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000183352263 416239903 /nfs/dbraw/zinc/23/99/03/416239903.db2.gz UKMZESANGPVJII-SNVBAGLBSA-N 0 0 318.782 0.523 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1(C)C ZINC000193898395 416321416 /nfs/dbraw/zinc/32/14/16/416321416.db2.gz PHONFEUWNFZGAQ-UHFFFAOYSA-N 0 0 312.457 0.472 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000190486411 416280267 /nfs/dbraw/zinc/28/02/67/416280267.db2.gz JVBBXLALQYQJEN-SNVBAGLBSA-N 0 0 307.316 0.608 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000190819532 416283583 /nfs/dbraw/zinc/28/35/83/416283583.db2.gz DXEPZLBPXMQWTJ-YPMHNXCESA-N 0 0 318.439 0.589 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCC2CC2)C1 ZINC000191903513 416291988 /nfs/dbraw/zinc/29/19/88/416291988.db2.gz NTKHURNJVBPWDV-ZDUSSCGKSA-N 0 0 317.389 0.916 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@H]2CCCCO2)C[C@H](C)O1 ZINC000248519107 416333556 /nfs/dbraw/zinc/33/35/56/416333556.db2.gz AWIOVQPBJQLTEK-FRRDWIJNSA-N 0 0 306.428 0.889 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249097466 416334282 /nfs/dbraw/zinc/33/42/82/416334282.db2.gz YWENKQLUFAIIQL-NEPJUHHUSA-N 0 0 308.378 0.928 10 0 DCAERN Cc1ccc(S(=O)(=O)CCC(=O)NCCc2nnc[nH]2)cc1 ZINC000359759198 416356981 /nfs/dbraw/zinc/35/69/81/416356981.db2.gz ZCHILEVXVKOPMS-UHFFFAOYSA-N 0 0 322.390 0.636 10 0 DCAERN Cn1nncc1S(=O)(=O)NCc1ccccc1-n1cccn1 ZINC000359858300 416363211 /nfs/dbraw/zinc/36/32/11/416363211.db2.gz ZUPYLFRTBLPCJD-UHFFFAOYSA-N 0 0 318.362 0.479 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360107557 416370322 /nfs/dbraw/zinc/37/03/22/416370322.db2.gz LAGWPKOBBBSDDQ-CQSZACIVSA-N 0 0 314.407 0.963 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H](CO)C1CC1 ZINC000359815487 416360173 /nfs/dbraw/zinc/36/01/73/416360173.db2.gz BHSXIHGUYJTRPM-LBPRGKRZSA-N 0 0 318.377 0.729 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000360166490 416376578 /nfs/dbraw/zinc/37/65/78/416376578.db2.gz YLSDGILAUHJKDS-JTNHKYCSSA-N 0 0 300.424 0.618 10 0 DCAERN O=C(CN1CCC[C@@H](OCCO)C1)Nc1ccc2c(c1)OCO2 ZINC000360283546 416384316 /nfs/dbraw/zinc/38/43/16/416384316.db2.gz ACJNJIOERWDPFB-CYBMUJFWSA-N 0 0 322.361 0.827 10 0 DCAERN CC(C)NC(=O)CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000360821673 416412331 /nfs/dbraw/zinc/41/23/31/416412331.db2.gz MORBJKMPRIMXJI-NSHDSACASA-N 0 0 311.304 0.610 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583616341 416477984 /nfs/dbraw/zinc/47/79/84/416477984.db2.gz HLWQELJFDXVGSE-ZDUSSCGKSA-N 0 0 316.427 0.854 10 0 DCAERN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361699400 416479098 /nfs/dbraw/zinc/47/90/98/416479098.db2.gz AYKXQDXNLPBESD-SECBINFHSA-N 0 0 309.370 0.123 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2cccnc2N2CCOCC2)N(C)C1 ZINC000583620232 416480890 /nfs/dbraw/zinc/48/08/90/416480890.db2.gz XYFKWUBNQKZIHT-JSGCOSHPSA-N 0 0 320.393 0.576 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H]1COCCO1 ZINC000361738149 416487803 /nfs/dbraw/zinc/48/78/03/416487803.db2.gz UMGVJZJCTQONLA-JTQLQIEISA-N 0 0 310.354 0.014 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CCO[C@H](C)C2)C1 ZINC000361095436 416420917 /nfs/dbraw/zinc/42/09/17/416420917.db2.gz AAXPNJIDEWSUBW-YIYPIFLZSA-N 0 0 312.410 0.992 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)OCC ZINC000361551143 416447095 /nfs/dbraw/zinc/44/70/95/416447095.db2.gz OMVMYGZVRGUGOY-MPCGPATOSA-N 0 0 311.426 0.636 10 0 DCAERN CNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434665225 416490539 /nfs/dbraw/zinc/49/05/39/416490539.db2.gz NLXCGWFSFOJDNX-SSDOTTSWSA-N 0 0 310.379 0.069 10 0 DCAERN O=Cc1ccc(OCCC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000361921928 416524611 /nfs/dbraw/zinc/52/46/11/416524611.db2.gz IZIGSPZKLWKBHQ-UHFFFAOYSA-N 0 0 300.318 0.943 10 0 DCAERN Cn1c2ccc(C(=O)N3CC[C@H](NC(N)=O)C3)cc2[nH]c1=O ZINC000535713660 416525609 /nfs/dbraw/zinc/52/56/09/416525609.db2.gz KEAPPGDLTWZXKE-VIFPVBQESA-N 0 0 303.322 0.162 10 0 DCAERN CCOc1ccccc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459297212 416529620 /nfs/dbraw/zinc/52/96/20/416529620.db2.gz FYIFPZDMYBCPCW-NSHDSACASA-N 0 0 305.338 0.859 10 0 DCAERN COCC[C@@H](NC(=O)c1cn(C)c2ccc(F)cc12)C(N)=O ZINC000435810678 416538669 /nfs/dbraw/zinc/53/86/69/416538669.db2.gz UNZJLLZELXSJSY-GFCCVEGCSA-N 0 0 307.325 0.938 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)Nc1cc(F)c(F)c(F)c1 ZINC000459422337 416541603 /nfs/dbraw/zinc/54/16/03/416541603.db2.gz XTQCBIRFAZYPHD-QMMMGPOBSA-N 0 0 315.255 0.878 10 0 DCAERN CCCc1csc(NC(=O)NC[C@@H](O)Cn2ccnn2)n1 ZINC000459492572 416548206 /nfs/dbraw/zinc/54/82/06/416548206.db2.gz WZIVUDAZJNPWIS-SNVBAGLBSA-N 0 0 310.383 0.870 10 0 DCAERN O=C1Nc2ccccc2CC[C@@H]1N1CCN2CCOC[C@H]2C1 ZINC000361769979 416494878 /nfs/dbraw/zinc/49/48/78/416494878.db2.gz VEDQSZGRDCTKAF-ZBFHGGJFSA-N 0 0 301.390 0.956 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)Nc3cc[nH]n3)sc2C1 ZINC000435106641 416510227 /nfs/dbraw/zinc/51/02/27/416510227.db2.gz CFKPQGUJOFWDSQ-ZETCQYMHSA-N 0 0 305.363 1.568 10 0 DCAERN CC[C@@H](C)c1ncc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cn1 ZINC000361852924 416510975 /nfs/dbraw/zinc/51/09/75/416510975.db2.gz ZMRTXKHKJNHBQU-RKDXNWHRSA-N 0 0 307.354 0.309 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)Nc2ncn(C(C)(C)C)n2)C1=O ZINC000541319579 416605967 /nfs/dbraw/zinc/60/59/67/416605967.db2.gz LQXRCCLXLWBREL-AWEZNQCLSA-N 0 0 322.369 0.692 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)cc1O ZINC000436717548 416568640 /nfs/dbraw/zinc/56/86/40/416568640.db2.gz HKXBKSZGZJTTPS-BDAKNGLRSA-N 0 0 324.333 0.284 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)o1 ZINC000437225164 416580235 /nfs/dbraw/zinc/58/02/35/416580235.db2.gz BJGZFWYIYHNPSW-LLVKDONJSA-N 0 0 313.313 0.914 10 0 DCAERN Cc1cc(C(=O)N(C)CCC[NH+](C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000539416977 416580662 /nfs/dbraw/zinc/58/06/62/416580662.db2.gz WWWOLRJLYABYAZ-UHFFFAOYSA-N 0 0 319.365 0.768 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 ZINC000366076461 416614581 /nfs/dbraw/zinc/61/45/81/416614581.db2.gz HLJKBSFBEJTZQI-OZVIIMIRSA-N 0 0 308.378 0.704 10 0 DCAERN Cc1cc(C[C@@H](C)N2C(=O)N[C@@H](C3CCOCC3)C2=O)[nH]n1 ZINC000514905715 416681702 /nfs/dbraw/zinc/68/17/02/416681702.db2.gz MIOGSXIJXVZZSA-MFKMUULPSA-N 0 0 306.366 0.996 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@@H](C3CCOCC3)C2=O)[nH]n1 ZINC000514905713 416681862 /nfs/dbraw/zinc/68/18/62/416681862.db2.gz MIOGSXIJXVZZSA-GWCFXTLKSA-N 0 0 306.366 0.996 10 0 DCAERN O=C(CC1(O)CCCCC1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366168752 416619615 /nfs/dbraw/zinc/61/96/15/416619615.db2.gz UWWKCMKOJZYNNI-HNNXBMFYSA-N 0 0 309.366 0.272 10 0 DCAERN C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439862933 416623046 /nfs/dbraw/zinc/62/30/46/416623046.db2.gz WITSVVMKSPIDHQ-MNOVXSKESA-N 0 0 319.361 0.637 10 0 DCAERN CNC(=O)C1CCC(NC(=O)c2cccc3ncnn32)CC1 ZINC000542571527 416625601 /nfs/dbraw/zinc/62/56/01/416625601.db2.gz HUYGJAXISVGBIK-UHFFFAOYSA-N 0 0 301.350 0.764 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](CO)C1 ZINC000366454741 416628160 /nfs/dbraw/zinc/62/81/60/416628160.db2.gz QGRDSCOSTPIFTR-QJPTWQEYSA-N 0 0 304.412 0.366 10 0 DCAERN Cc1ccc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000542742724 416629758 /nfs/dbraw/zinc/62/97/58/416629758.db2.gz CDNJJCZKBCHIKQ-HNNXBMFYSA-N 0 0 304.394 0.659 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441294575 416667149 /nfs/dbraw/zinc/66/71/49/416667149.db2.gz YVTZPCOCTVIZAE-UHFFFAOYSA-N 0 0 303.297 0.748 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)NCCc2cccc(OC)n2)C1 ZINC000441455042 416671858 /nfs/dbraw/zinc/67/18/58/416671858.db2.gz CQKGLODDCFAAJM-LBPRGKRZSA-N 0 0 320.393 0.800 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1OC ZINC000369282826 416741930 /nfs/dbraw/zinc/74/19/30/416741930.db2.gz JKQGRDDSXYONJN-UHFFFAOYSA-N 0 0 324.362 0.541 10 0 DCAERN C[C@@H](O)CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)CO ZINC000443348416 416753588 /nfs/dbraw/zinc/75/35/88/416753588.db2.gz RCSGVJFFTLCUCH-WDEREUQCSA-N 0 0 310.350 0.417 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cn1 ZINC000442046157 416686095 /nfs/dbraw/zinc/68/60/95/416686095.db2.gz FVLHQFJVWHYFCN-NSHDSACASA-N 0 0 324.406 0.304 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CCSC[C@H]2CCO)s1 ZINC000442083174 416686357 /nfs/dbraw/zinc/68/63/57/416686357.db2.gz LFTRFOAPVVUIQG-SECBINFHSA-N 0 0 315.420 0.716 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)nc1)c1cnn(C)c1 ZINC000442130035 416686701 /nfs/dbraw/zinc/68/67/01/416686701.db2.gz WZXXKQHAGQHAAA-JTQLQIEISA-N 0 0 316.365 0.697 10 0 DCAERN O=Cc1cccc(OCC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368826573 416695649 /nfs/dbraw/zinc/69/56/49/416695649.db2.gz RPBJXHAJBYWATI-CQSZACIVSA-N 0 0 304.346 0.421 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1ccc(Cl)cn1 ZINC000368826590 416696279 /nfs/dbraw/zinc/69/62/79/416696279.db2.gz RQXQZVZUAPZZKS-GFCCVEGCSA-N 0 0 310.785 0.690 10 0 DCAERN Cc1nc([C@](C)(NC(=O)[C@@H](C)NS(C)(=O)=O)C2CC2)no1 ZINC000515533984 416702830 /nfs/dbraw/zinc/70/28/30/416702830.db2.gz NLSHUOYIZUNAAS-JMCQJSRRSA-N 0 0 316.383 0.057 10 0 DCAERN O=C(Nc1cc2ccccn2n1)N1CCN2CCOC[C@@H]2C1 ZINC000554414225 416706533 /nfs/dbraw/zinc/70/65/33/416706533.db2.gz WJKHLUIPFHVCJU-ZDUSSCGKSA-N 0 0 301.350 0.883 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000442703767 416706765 /nfs/dbraw/zinc/70/67/65/416706765.db2.gz JRRWWEQMFYUXQW-MNOVXSKESA-N 0 0 311.382 0.411 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368938514 416707458 /nfs/dbraw/zinc/70/74/58/416707458.db2.gz WJKJVRBCGNDJPK-ZIAGYGMSSA-N 0 0 316.467 1.000 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000556931696 416720222 /nfs/dbraw/zinc/72/02/22/416720222.db2.gz YHFBWDMXDIKYFS-CQSZACIVSA-N 0 0 316.405 1.502 10 0 DCAERN CO[C@@H]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@@H](C)C1 ZINC000443132222 416732712 /nfs/dbraw/zinc/73/27/12/416732712.db2.gz KOUSGLPZFHPWTB-WDEREUQCSA-N 0 0 323.397 0.998 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000369744044 416824011 /nfs/dbraw/zinc/82/40/11/416824011.db2.gz CEXYDYDUZGTFPV-FVCCEPFGSA-N 0 0 313.398 0.474 10 0 DCAERN CN1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000623230406 416773871 /nfs/dbraw/zinc/77/38/71/416773871.db2.gz XPBOMIRJQOFVPR-CQSZACIVSA-N 0 0 319.409 0.975 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(CCS(=O)(=O)NC(C)(C)C)C1=O ZINC000517212615 416786500 /nfs/dbraw/zinc/78/65/00/416786500.db2.gz RFKKKTSJOGLTCP-OMMCCPJFSA-N 0 0 317.411 0.591 10 0 DCAERN COC[C@H](NC(=O)CN1CCN(C)C(=O)C1)c1ccc(F)cc1 ZINC000444118180 416803530 /nfs/dbraw/zinc/80/35/30/416803530.db2.gz MTSRNOMYOJYACA-AWEZNQCLSA-N 0 0 323.368 0.403 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2c1CCC2 ZINC000517467075 416804819 /nfs/dbraw/zinc/80/48/19/416804819.db2.gz ZDGYJGLOYGQPNY-VHSXEESVSA-N 0 0 306.366 0.834 10 0 DCAERN CC(=O)N1CCCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 ZINC000369990829 416864239 /nfs/dbraw/zinc/86/42/39/416864239.db2.gz JSFFAIFLPBIKAO-UHFFFAOYSA-N 0 0 316.423 0.282 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 ZINC000445217804 416891311 /nfs/dbraw/zinc/89/13/11/416891311.db2.gz DQUYOVOLPNTDII-IUCAKERBSA-N 0 0 311.354 0.637 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC(O)C2)CCC(=O)N1C1CC1 ZINC000560279630 416837024 /nfs/dbraw/zinc/83/70/24/416837024.db2.gz DUKHMSGBINJOHT-WFASDCNBSA-N 0 0 318.377 0.065 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000369895962 416844317 /nfs/dbraw/zinc/84/43/17/416844317.db2.gz BCFINKHFVQIHDL-OAHLLOKOSA-N 0 0 317.389 0.785 10 0 DCAERN CCOCC[C@@H](O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000444651098 416856546 /nfs/dbraw/zinc/85/65/46/416856546.db2.gz FRPZTULRPXCQJM-CQSZACIVSA-N 0 0 317.393 0.943 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000615547355 416857901 /nfs/dbraw/zinc/85/79/01/416857901.db2.gz ZEXFZASGWNSJJI-QWQWKMKNSA-N 0 0 317.407 0.767 10 0 DCAERN CCn1nccc1NC(=O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000446805136 416948844 /nfs/dbraw/zinc/94/88/44/416948844.db2.gz AJESFKNWCHYJMM-SECBINFHSA-N 0 0 304.354 0.620 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc(-c3ccccn3)[nH]c2=O)CC1=O ZINC000520886855 416982965 /nfs/dbraw/zinc/98/29/65/416982965.db2.gz OGCUTGYNIQKTBM-SNVBAGLBSA-N 0 0 312.329 0.810 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@](O)(CO)C3)ccc21 ZINC000616211923 416989479 /nfs/dbraw/zinc/98/94/79/416989479.db2.gz JPHSIZPFNQCIFN-INIZCTEOSA-N 0 0 319.361 0.721 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCO[C@@]3(CCCOC3)C2)C1=O ZINC000375624098 417008016 /nfs/dbraw/zinc/00/80/16/417008016.db2.gz NGFRBIBXGCGPAD-HNNXBMFYSA-N 0 0 311.382 0.198 10 0 DCAERN CN(Cc1cccnc1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000447895244 417035895 /nfs/dbraw/zinc/03/58/95/417035895.db2.gz ASHUQWACZHLJBX-MRXNPFEDSA-N 0 0 301.346 0.653 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCC[C@H](n3cccn3)C2)n1 ZINC000376747277 417037303 /nfs/dbraw/zinc/03/73/03/417037303.db2.gz GIDRSLFFAXIKRG-LBPRGKRZSA-N 0 0 300.366 1.501 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC=CCN2)c(S(C)(=O)=O)c1 ZINC000624416915 417037269 /nfs/dbraw/zinc/03/72/69/417037269.db2.gz DLLRPTCFKPRKHQ-UHFFFAOYSA-N 0 0 316.404 0.374 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)c1cncc2ncn(C)c21 ZINC000632393059 417061674 /nfs/dbraw/zinc/06/16/74/417061674.db2.gz FKXLIZZRBKHNPL-NSHDSACASA-N 0 0 302.334 0.788 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1CCCCCN1S(N)(=O)=O ZINC000616624776 417082504 /nfs/dbraw/zinc/08/25/04/417082504.db2.gz JAXXNPBFTIFWOX-SNVBAGLBSA-N 0 0 307.416 0.959 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616592695 417083512 /nfs/dbraw/zinc/08/35/12/417083512.db2.gz FXRQNXMZLLEZSE-SNVBAGLBSA-N 0 0 308.363 0.249 10 0 DCAERN CC(=O)Nc1ccccc1[C@H]1COCCN(S(N)(=O)=O)C1 ZINC000616594057 417084196 /nfs/dbraw/zinc/08/41/96/417084196.db2.gz NUYVUUBDKXGYCT-LLVKDONJSA-N 0 0 313.379 0.264 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000624689545 417084296 /nfs/dbraw/zinc/08/42/96/417084296.db2.gz UDUMZKXJDNBCFI-CABCVRRESA-N 0 0 309.410 0.321 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616649762 417085969 /nfs/dbraw/zinc/08/59/69/417085969.db2.gz YEUCQCHEPKUJNB-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN Nc1n[nH]cc1[C@H]1COCCN1S(=O)(=O)c1ccccc1 ZINC000616640954 417088306 /nfs/dbraw/zinc/08/83/06/417088306.db2.gz DJNQBJMHJWPSEI-GFCCVEGCSA-N 0 0 308.363 0.754 10 0 DCAERN Nc1cc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)[nH]n1 ZINC000616639441 417088379 /nfs/dbraw/zinc/08/83/79/417088379.db2.gz NNMSECWJYJUFMF-GFCCVEGCSA-N 0 0 307.379 0.327 10 0 DCAERN COC(=O)[C@H]1CN(CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616654949 417089279 /nfs/dbraw/zinc/08/92/79/417089279.db2.gz NDSHUGVGMHROGR-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616659817 417091129 /nfs/dbraw/zinc/09/11/29/417091129.db2.gz IVCFXXMOXWSKDO-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1cccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)n1 ZINC000616690897 417093227 /nfs/dbraw/zinc/09/32/27/417093227.db2.gz JQLNOWIKNHMWDT-LLVKDONJSA-N 0 0 305.363 0.841 10 0 DCAERN CCn1cc(S(=O)(=O)NCC[C@]2(O)CCOC2)nc1C ZINC000404212406 417118743 /nfs/dbraw/zinc/11/87/43/417118743.db2.gz WHYXMHMPQAJALG-LBPRGKRZSA-N 0 0 303.384 0.031 10 0 DCAERN CNS(=O)(=O)c1ccccc1NCC[C@]1(O)CCOC1 ZINC000404188264 417119134 /nfs/dbraw/zinc/11/91/34/417119134.db2.gz HPYNAUVPALJZSN-ZDUSSCGKSA-N 0 0 300.380 0.548 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@]2(O)CCOC2)C1 ZINC000404190271 417119422 /nfs/dbraw/zinc/11/94/22/417119422.db2.gz FFHZVWDEKGJQKH-UPJWGTAASA-N 0 0 306.428 0.340 10 0 DCAERN CN1C[C@@H](NC(=O)c2nscc2Br)CC1=O ZINC000404815368 417120048 /nfs/dbraw/zinc/12/00/48/417120048.db2.gz JZELIJBRTCZRFG-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN COC(=O)C[C@@H]1CSCCN1C(=O)c1cn2cccnc2n1 ZINC000524871420 417120160 /nfs/dbraw/zinc/12/01/60/417120160.db2.gz XSGXYMBWGCNUSE-SNVBAGLBSA-N 0 0 320.374 0.850 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000525381924 417138601 /nfs/dbraw/zinc/13/86/01/417138601.db2.gz FKJICERQCVFPKD-AGIUHOORSA-N 0 0 316.423 0.469 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000408106651 417139907 /nfs/dbraw/zinc/13/99/07/417139907.db2.gz YUOPRKHHOGTUQE-PHIMTYICSA-N 0 0 320.411 0.416 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408075374 417141380 /nfs/dbraw/zinc/14/13/80/417141380.db2.gz XZRAFLUQQPJJJT-CHWSQXEVSA-N 0 0 305.382 0.912 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1=O ZINC000408460942 417162943 /nfs/dbraw/zinc/16/29/43/417162943.db2.gz SGDLXXVKCPPMNE-OLZOCXBDSA-N 0 0 318.439 0.684 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@H](O)CC2)cccc1S(N)(=O)=O ZINC000408178430 417146826 /nfs/dbraw/zinc/14/68/26/417146826.db2.gz QQSIFJVEBQBVGN-LLVKDONJSA-N 0 0 312.391 0.629 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)cc1F ZINC000408229344 417148269 /nfs/dbraw/zinc/14/82/69/417148269.db2.gz QEMYBGNWAQMBQU-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN Cn1cc(CN2CCCc3c(OCC(N)=O)cccc32)nn1 ZINC000449535192 417148623 /nfs/dbraw/zinc/14/86/23/417148623.db2.gz MZSKZEIIJBUVIR-UHFFFAOYSA-N 0 0 301.350 0.632 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCN(c3nc(N)ns3)CC2)C1(F)F ZINC000408233418 417149352 /nfs/dbraw/zinc/14/93/52/417149352.db2.gz UNRCKWBBAHHSIV-RNFRBKRXSA-N 0 0 303.338 0.670 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@](C)(O)C(C)C)CC2)n1 ZINC000408301908 417153923 /nfs/dbraw/zinc/15/39/23/417153923.db2.gz WFWIJGDUTXYXDG-IAQYHMDHSA-N 0 0 310.398 0.990 10 0 DCAERN CC(C)N1C(=O)CN(C[C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000408400087 417159247 /nfs/dbraw/zinc/15/92/47/417159247.db2.gz OKEJCDUDZQNLLB-LBPRGKRZSA-N 0 0 302.440 0.752 10 0 DCAERN Cc1nc(C)c(CC(=O)NC[C@@H](C)N2CCCCC2=O)c(=O)[nH]1 ZINC000526016928 417175352 /nfs/dbraw/zinc/17/53/52/417175352.db2.gz VOTPWTKWAMXGAI-SNVBAGLBSA-N 0 0 320.393 0.859 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1nnn(C)n1)CC2 ZINC000526030720 417175750 /nfs/dbraw/zinc/17/57/50/417175750.db2.gz CKOMMNUARLXJQF-VIFPVBQESA-N 0 0 303.370 0.478 10 0 DCAERN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000527213631 417222054 /nfs/dbraw/zinc/22/20/54/417222054.db2.gz KZHUSOYXSQSWBP-TUAOUCFPSA-N 0 0 322.427 0.519 10 0 DCAERN CC(C)OCCS(=O)(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632671463 417222387 /nfs/dbraw/zinc/22/23/87/417222387.db2.gz OSYXSUOHTCZMSU-VHSXEESVSA-N 0 0 319.345 0.844 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC(C)(C)O1 ZINC000188626395 296915671 /nfs/dbraw/zinc/91/56/71/296915671.db2.gz KGORNHBNKSFVHL-SECBINFHSA-N 0 0 302.334 0.958 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncnc3nc[nH]c32)CC12COC2 ZINC000450555220 417237903 /nfs/dbraw/zinc/23/79/03/417237903.db2.gz FKGBPOISMUWQQU-VIFPVBQESA-N 0 0 303.322 0.369 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2noc(C3CC3)n2)CC12COC2 ZINC000451135084 417307390 /nfs/dbraw/zinc/30/73/90/417307390.db2.gz MFWUMGPMZMIAED-LLVKDONJSA-N 0 0 307.350 0.959 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)NC(C)(C)C(C)(C)O)CC1 ZINC000451365518 417338075 /nfs/dbraw/zinc/33/80/75/417338075.db2.gz FGSKSBREUHIFAK-UHFFFAOYSA-N 0 0 307.412 0.941 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000528635069 417371342 /nfs/dbraw/zinc/37/13/42/417371342.db2.gz ORFCVSPPRWRGPB-FZZIBODNSA-N 0 0 319.361 0.137 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@](C)(OC)C2CC2)CC12COC2 ZINC000452226151 417459665 /nfs/dbraw/zinc/45/96/65/417459665.db2.gz RHGFAZVGKUDASK-DOMZBBRYSA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(OCC)no2)CC12COC2 ZINC000452228259 417460049 /nfs/dbraw/zinc/46/00/49/417460049.db2.gz VDANKAAJSHXQNN-JTQLQIEISA-N 0 0 324.333 0.725 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOC3)CC12COC2 ZINC000452264969 417461838 /nfs/dbraw/zinc/46/18/38/417461838.db2.gz PIVQYQWFGHBFQB-HUBLWGQQSA-N 0 0 309.362 0.451 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC12COC2 ZINC000452258175 417462711 /nfs/dbraw/zinc/46/27/11/417462711.db2.gz IKHRMNORIMEUAL-OLZOCXBDSA-N 0 0 312.410 0.611 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cn2cc(C)cn2)CC12COC2 ZINC000452265956 417464191 /nfs/dbraw/zinc/46/41/91/417464191.db2.gz RIAPMDOCDIAMNX-LBPRGKRZSA-N 0 0 307.350 0.230 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cn2cc(C)cn2)CC12COC2 ZINC000452265955 417464434 /nfs/dbraw/zinc/46/44/34/417464434.db2.gz RIAPMDOCDIAMNX-GFCCVEGCSA-N 0 0 307.350 0.230 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1c2ccccc2C(=O)N1C ZINC000633688304 417478113 /nfs/dbraw/zinc/47/81/13/417478113.db2.gz RYKLPQIATQPVNE-HUUCEWRRSA-N 0 0 315.373 0.940 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)c1nccc(N[C@H]2CCCOC2)n1 ZINC000574344316 417482814 /nfs/dbraw/zinc/48/28/14/417482814.db2.gz UFSXWLMZXMOLLR-SMDDFHAHSA-N 0 0 312.439 1.271 10 0 DCAERN O=C(/C=C/c1ccc(Br)cn1)N1CCNC(=O)C1 ZINC000575602496 417539870 /nfs/dbraw/zinc/53/98/70/417539870.db2.gz PVTZWVWTCVTWFH-ONEGZZNKSA-N 0 0 310.151 0.816 10 0 DCAERN CC(=O)c1ccc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)o1 ZINC000633880078 417506790 /nfs/dbraw/zinc/50/67/90/417506790.db2.gz CVFZLNVZYJABPE-GASCZTMLSA-N 0 0 304.302 0.607 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)CCOC)CC12COC2 ZINC000454425308 417561617 /nfs/dbraw/zinc/56/16/17/417561617.db2.gz KNAWFVUGUNYKNL-NWDGAFQWSA-N 0 0 314.382 0.633 10 0 DCAERN CC(=O)c1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)nc1 ZINC000455126844 417594589 /nfs/dbraw/zinc/59/45/89/417594589.db2.gz MLIMORLIGVHLKW-NSHDSACASA-N 0 0 306.366 0.815 10 0 DCAERN CO[C@H](CNC(=O)N(C)Cc1nnnn1C)Cc1ccccc1 ZINC000455226910 417598419 /nfs/dbraw/zinc/59/84/19/417598419.db2.gz ZWKBBSVKFDYIPU-ZDUSSCGKSA-N 0 0 318.381 0.609 10 0 DCAERN CC[C@H](NC(=O)c1cn2cccnc2n1)C(=O)N1CCOCC1 ZINC000530985942 417601161 /nfs/dbraw/zinc/60/11/61/417601161.db2.gz FELAKMXEUFUHNC-NSHDSACASA-N 0 0 317.349 0.097 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000576425257 417609106 /nfs/dbraw/zinc/60/91/06/417609106.db2.gz IHDYFPHCLKBPCT-HIFRSBDPSA-N 0 0 323.437 0.613 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCCSC)CC12COC2 ZINC000454523164 417566264 /nfs/dbraw/zinc/56/62/64/417566264.db2.gz OEDUAGJCAZDUMA-NSHDSACASA-N 0 0 316.423 0.961 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000628064627 417566642 /nfs/dbraw/zinc/56/66/42/417566642.db2.gz IJZPYOQEHZRZRM-HBNTYKKESA-N 0 0 319.423 0.508 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)C(F)F)cc1 ZINC000635269994 417624733 /nfs/dbraw/zinc/62/47/33/417624733.db2.gz LTXVYOMKYACULE-LLVKDONJSA-N 0 0 314.288 0.960 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CO)C1 ZINC000167699536 545878902 /nfs/dbraw/zinc/87/89/02/545878902.db2.gz NGSMHKKASZGQDH-JTQLQIEISA-N 0 0 321.782 0.730 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532134569 417663074 /nfs/dbraw/zinc/66/30/74/417663074.db2.gz HZDUXRSDXDGIGG-SNVBAGLBSA-N 0 0 321.362 0.164 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000532268051 417668858 /nfs/dbraw/zinc/66/88/58/417668858.db2.gz PYBJWSVQTVWRIB-XQLPTFJDSA-N 0 0 317.451 0.749 10 0 DCAERN CC[C@@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C(=O)NC ZINC000457045908 417681690 /nfs/dbraw/zinc/68/16/90/417681690.db2.gz JTNCLWXVYDTMLJ-SECBINFHSA-N 0 0 322.365 0.686 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1nscc1Br ZINC000629239616 417766650 /nfs/dbraw/zinc/76/66/50/417766650.db2.gz OVPDBLHWGNULLJ-BQBZGAKWSA-N 0 0 307.169 0.785 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCCS(C)(=O)=O)c1 ZINC000457462934 417706163 /nfs/dbraw/zinc/70/61/63/417706163.db2.gz UGVPTYPAHHGTEZ-UHFFFAOYSA-N 0 0 313.375 0.946 10 0 DCAERN O=C(N[C@H]1COCCC1=O)c1nscc1Br ZINC000628877004 417710178 /nfs/dbraw/zinc/71/01/78/417710178.db2.gz LPWUGZPJMYCCJZ-LURJTMIESA-N 0 0 305.153 0.993 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)c2ccccc2n1 ZINC000458117740 417722211 /nfs/dbraw/zinc/72/22/11/417722211.db2.gz ALCFDXQDOWSGTN-GFCCVEGCSA-N 0 0 311.345 0.926 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(C)o1 ZINC000580686210 417722684 /nfs/dbraw/zinc/72/26/84/417722684.db2.gz NVTIUDDYLZNXEF-MNOVXSKESA-N 0 0 310.350 0.703 10 0 DCAERN O=C(Cc1cccc(Cl)c1F)NC[C@@H](O)Cn1ccnn1 ZINC000458127665 417722718 /nfs/dbraw/zinc/72/27/18/417722718.db2.gz CXJHCONMCDTXJU-SNVBAGLBSA-N 0 0 312.732 0.790 10 0 DCAERN C[C@@H](Cc1ccccc1F)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458133505 417722803 /nfs/dbraw/zinc/72/28/03/417722803.db2.gz IGGCZUAHIFLCFU-AAEUAGOBSA-N 0 0 306.341 0.773 10 0 DCAERN CC(C)c1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458151232 417724882 /nfs/dbraw/zinc/72/48/82/417724882.db2.gz WGZFCATWJHTDFV-AWEZNQCLSA-N 0 0 318.377 0.958 10 0 DCAERN CC(C)(Oc1ccc(F)cc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458142108 417725374 /nfs/dbraw/zinc/72/53/74/417725374.db2.gz OSJDNABRLJZENC-LBPRGKRZSA-N 0 0 322.340 0.752 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@@H]2COCCN2C)c1 ZINC000628927272 417732880 /nfs/dbraw/zinc/73/28/80/417732880.db2.gz ZWDXKKMMRMZQHK-CQSZACIVSA-N 0 0 306.362 0.715 10 0 DCAERN CCOC1CC(O)(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000444598799 287429738 /nfs/dbraw/zinc/42/97/38/287429738.db2.gz PRHQVWQMBUAZPG-UHFFFAOYSA-N 0 0 323.393 0.867 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000664267856 418106794 /nfs/dbraw/zinc/10/67/94/418106794.db2.gz FAGTZFXFUSMIAY-BDAKNGLRSA-N 0 0 308.306 0.907 10 0 DCAERN CC(C)n1nnnc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182854243 545906750 /nfs/dbraw/zinc/90/67/50/545906750.db2.gz NTWOIPITBUQHBN-JTQLQIEISA-N 0 0 324.410 0.752 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[C@H](O)C2)CC12COC2 ZINC000452612582 287482385 /nfs/dbraw/zinc/48/23/85/287482385.db2.gz LANXUGOWYTWYET-AVGNSLFASA-N 0 0 311.378 0.576 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC(C)(C)CC(N)=O ZINC000186269189 545913494 /nfs/dbraw/zinc/91/34/94/545913494.db2.gz BQRGLRCRDFZALF-JTQLQIEISA-N 0 0 306.366 0.967 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000460015445 287509053 /nfs/dbraw/zinc/50/90/53/287509053.db2.gz WXOLXBAYJAWFBV-UHFFFAOYSA-N 0 0 324.425 0.507 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)[C@H](C)OC)C1 ZINC000461289540 287513914 /nfs/dbraw/zinc/51/39/14/287513914.db2.gz GEIZKIQQRAEZOH-GRYCIOLGSA-N 0 0 306.428 0.588 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(C)CCCO)C[C@H](c2ccccc2)O1 ZINC000460053621 287512594 /nfs/dbraw/zinc/51/25/94/287512594.db2.gz CRQQRAIGOHEEHW-UKRRQHHQSA-N 0 0 320.389 0.816 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1scnc1C ZINC000487124449 287532277 /nfs/dbraw/zinc/53/22/77/287532277.db2.gz RMHCYYBRXKICTE-BDAKNGLRSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000488250970 287547557 /nfs/dbraw/zinc/54/75/57/287547557.db2.gz ORJKGAFORFYLIE-JZRPKSSGSA-N 0 0 310.394 0.995 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)CCOC ZINC000488300292 287548690 /nfs/dbraw/zinc/54/86/90/287548690.db2.gz TWNIMKTYWYQOFJ-GHMZBOCLSA-N 0 0 316.398 0.622 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000188314241 299846694 /nfs/dbraw/zinc/84/66/94/299846694.db2.gz VCQONLBAHUPVMZ-AAEUAGOBSA-N 0 0 302.396 0.745 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CCCO1 ZINC000299744839 229384473 /nfs/dbraw/zinc/38/44/73/229384473.db2.gz QEEPAAFQIHUJBW-QMTHXVAHSA-N 0 0 307.354 0.110 10 0 DCAERN COc1cc2c(cc1OC)CN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC000062634101 261106472 /nfs/dbraw/zinc/10/64/72/261106472.db2.gz WMVFSXUKXUIGNY-LLVKDONJSA-N 0 0 306.318 0.697 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)ccc1C ZINC000180584004 261114219 /nfs/dbraw/zinc/11/42/19/261114219.db2.gz FDFGYMUQTRHUBC-LBPRGKRZSA-N 0 0 303.362 0.830 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1c(C)noc1C1CC1)C(C)C ZINC000184280184 261118237 /nfs/dbraw/zinc/11/82/37/261118237.db2.gz SXHYDTMBJXZPHY-SNVBAGLBSA-N 0 0 322.365 0.686 10 0 DCAERN CCC1(CC)CN(CCCC(=O)NC(N)=O)CC[S@]1=O ZINC000185239030 261119530 /nfs/dbraw/zinc/11/95/30/261119530.db2.gz XSCJRZHTWSXJDC-HXUWFJFHSA-N 0 0 303.428 0.585 10 0 DCAERN CC(C)Cc1nsc(N(C)C[C@H](O)CN2CCOCC2)n1 ZINC000185536834 261120388 /nfs/dbraw/zinc/12/03/88/261120388.db2.gz ODCZLIQLYRHLCV-LBPRGKRZSA-N 0 0 314.455 0.866 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187268039 261122689 /nfs/dbraw/zinc/12/26/89/261122689.db2.gz VFIMQYRLWNRPIJ-ZIAGYGMSSA-N 0 0 322.405 0.471 10 0 DCAERN COc1cccc(C(=O)NCC2CN(S(C)(=O)=O)C2)c1F ZINC000187262410 261122928 /nfs/dbraw/zinc/12/29/28/261122928.db2.gz RKIHCRSGPCOVCP-UHFFFAOYSA-N 0 0 316.354 0.456 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000194733154 261147316 /nfs/dbraw/zinc/14/73/16/261147316.db2.gz BVEHQWQDKBUVFS-UHFFFAOYSA-N 0 0 316.365 0.645 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000194803475 261148331 /nfs/dbraw/zinc/14/83/31/261148331.db2.gz NWPVEKLOPLYGCC-AWEZNQCLSA-N 0 0 315.373 0.416 10 0 DCAERN Cc1ccc(NC(=O)CNC(=O)[C@H]2CNC(=O)C2)c(Cl)c1 ZINC000194834637 261148372 /nfs/dbraw/zinc/14/83/72/261148372.db2.gz XNUROICYJICHPL-SECBINFHSA-N 0 0 309.753 0.839 10 0 DCAERN O=C(CC1CCCCC1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194888335 261149224 /nfs/dbraw/zinc/14/92/24/261149224.db2.gz GEUQEFKOLFJPNM-AWEZNQCLSA-N 0 0 321.421 0.764 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000195158209 261150562 /nfs/dbraw/zinc/15/05/62/261150562.db2.gz YEIGEENUTBMQJI-SMDDNHRTSA-N 0 0 303.362 0.366 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)c1cn[nH]n1)Cc1ccccc1 ZINC000195063486 261150688 /nfs/dbraw/zinc/15/06/88/261150688.db2.gz BLTSAWVUIFFGGR-LBPRGKRZSA-N 0 0 302.334 0.957 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@H]1O ZINC000221840026 261152256 /nfs/dbraw/zinc/15/22/56/261152256.db2.gz GFDQEOIMTVJJLC-GXFFZTMASA-N 0 0 312.391 0.901 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)NC[C@@](C)(O)CO)cc1 ZINC000355294939 261326749 /nfs/dbraw/zinc/32/67/49/261326749.db2.gz XRJIGYSIPNCEEM-MRXNPFEDSA-N 0 0 309.362 0.447 10 0 DCAERN C[C@@H](CNC(=O)CCOc1ccccc1F)S(N)(=O)=O ZINC000355661726 261355530 /nfs/dbraw/zinc/35/55/30/261355530.db2.gz GSTOGWHFXGEWCT-VIFPVBQESA-N 0 0 304.343 0.388 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](OC)[C@H](C)CC ZINC000357128696 261506673 /nfs/dbraw/zinc/50/66/73/261506673.db2.gz RCYXJRLXBMSEMZ-RHYQMDGZSA-N 0 0 316.398 0.620 10 0 DCAERN O=C(NCCCOCCO)NCC[C@H]1COc2ccccc2O1 ZINC000357143639 261508471 /nfs/dbraw/zinc/50/84/71/261508471.db2.gz VPDSTLIMWDQUNN-ZDUSSCGKSA-N 0 0 324.377 0.915 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000357200901 261513932 /nfs/dbraw/zinc/51/39/32/261513932.db2.gz IYOXCFPSMSEGOG-LBPRGKRZSA-N 0 0 303.428 0.660 10 0 DCAERN O=C(CNC(=O)NCc1ccc2cc[nH]c2n1)NCC1CC1 ZINC000357899641 261598545 /nfs/dbraw/zinc/59/85/45/261598545.db2.gz GOENHMQJUGVWBV-UHFFFAOYSA-N 0 0 301.350 0.888 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](OC)C2CC2)c1 ZINC000358120623 261634912 /nfs/dbraw/zinc/63/49/12/261634912.db2.gz KXMAYIJMTSDQEV-CYBMUJFWSA-N 0 0 312.391 0.750 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358610970 261687423 /nfs/dbraw/zinc/68/74/23/261687423.db2.gz WLGVGOYDBUCDGK-CYBMUJFWSA-N 0 0 311.426 0.951 10 0 DCAERN O=C(NC[C@@H]1COCCO1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361037973 261893489 /nfs/dbraw/zinc/89/34/89/261893489.db2.gz NTUJLWRDAXWOLF-MWLCHTKSSA-N 0 0 312.288 0.501 10 0 DCAERN O=C(CCCNC(=O)c1ccccc1)N1CC(n2ccnn2)C1 ZINC000361909450 261976645 /nfs/dbraw/zinc/97/66/45/261976645.db2.gz AGQRQULNZVCXQB-UHFFFAOYSA-N 0 0 313.361 0.872 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCn2ncnc2C1 ZINC000361916365 261977291 /nfs/dbraw/zinc/97/72/91/261977291.db2.gz POWSSHOGEBGZGB-UHFFFAOYSA-N 0 0 317.353 0.116 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N2CCSC[C@@H]2CCO)[C@H]1OC ZINC000362108644 262000520 /nfs/dbraw/zinc/00/05/20/262000520.db2.gz GIUIIFWWNDLCNV-WUHRBBMRSA-N 0 0 318.439 0.688 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)s1 ZINC000362260955 262016538 /nfs/dbraw/zinc/01/65/38/262016538.db2.gz JSKPEBMQFYVMDB-CQSZACIVSA-N 0 0 324.406 0.676 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(CC(N)=O)C2)s1 ZINC000362278152 262018197 /nfs/dbraw/zinc/01/81/97/262018197.db2.gz MXPPOUQDMZJRAA-UHFFFAOYSA-N 0 0 310.379 0.286 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000362282146 262019274 /nfs/dbraw/zinc/01/92/74/262019274.db2.gz QOCIXNLPYWZJTQ-WCQYABFASA-N 0 0 322.361 0.826 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H]2CCN(C)C(=O)C2)no1 ZINC000362313994 262021774 /nfs/dbraw/zinc/02/17/74/262021774.db2.gz MJWZSWGHIVVUIZ-VIFPVBQESA-N 0 0 323.349 0.681 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)Cc1cccc(O)c1 ZINC000362475942 262039388 /nfs/dbraw/zinc/03/93/88/262039388.db2.gz DDLGMZAREFILCI-LSDHHAIUSA-N 0 0 309.362 0.871 10 0 DCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000362661465 262056964 /nfs/dbraw/zinc/05/69/64/262056964.db2.gz FDWYIQQBGIBOAG-CBUNIWKESA-N 0 0 314.329 0.606 10 0 DCAERN O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000362661464 262057144 /nfs/dbraw/zinc/05/71/44/262057144.db2.gz FDWYIQQBGIBOAG-CBBHYXBPSA-N 0 0 314.329 0.606 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000362731283 262065719 /nfs/dbraw/zinc/06/57/19/262065719.db2.gz OCHMYHBANLWZPQ-RTXFEEFZSA-N 0 0 312.435 0.917 10 0 DCAERN CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000362835811 262079314 /nfs/dbraw/zinc/07/93/14/262079314.db2.gz AYZIVRWZXWJCHA-SSDOTTSWSA-N 0 0 303.388 0.313 10 0 DCAERN C[C@@](O)(C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CCC1 ZINC000362873774 262082986 /nfs/dbraw/zinc/08/29/86/262082986.db2.gz IULSQSFNBRYNDO-CJNGLKHVSA-N 0 0 310.394 0.434 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)nc1 ZINC000363500772 262117775 /nfs/dbraw/zinc/11/77/75/262117775.db2.gz VDAYNBZBAYGOGU-CQSZACIVSA-N 0 0 324.340 0.716 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363517958 262118807 /nfs/dbraw/zinc/11/88/07/262118807.db2.gz PPRIXJDHRXZFML-GFCCVEGCSA-N 0 0 313.321 0.150 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1C ZINC000363545826 262119427 /nfs/dbraw/zinc/11/94/27/262119427.db2.gz NHOXEOIJJLDZEV-HZSPNIEDSA-N 0 0 306.410 0.359 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363833750 262133445 /nfs/dbraw/zinc/13/34/45/262133445.db2.gz REYOKDLCHVGMEH-LBPRGKRZSA-N 0 0 324.402 0.247 10 0 DCAERN Cn1cc(CCCNC(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000364000229 262139077 /nfs/dbraw/zinc/13/90/77/262139077.db2.gz NTECGOMIJKRVDS-AWEZNQCLSA-N 0 0 307.398 0.079 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000393021069 262161263 /nfs/dbraw/zinc/16/12/63/262161263.db2.gz RLEZUTBMQFTSPY-RDDDGLTNSA-N 0 0 304.318 0.910 10 0 DCAERN COC(=O)[C@@H](CC(C)C)N1CCCN(S(C)(=O)=O)CC1 ZINC000411141787 262165158 /nfs/dbraw/zinc/16/51/58/262165158.db2.gz JTEGFKBOQMKICK-GFCCVEGCSA-N 0 0 306.428 0.541 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000425295846 262521493 /nfs/dbraw/zinc/52/14/93/262521493.db2.gz QLNNRNXYHCFIQW-CYBMUJFWSA-N 0 0 300.399 0.191 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)NCCc1ccsc1 ZINC000046242598 270941407 /nfs/dbraw/zinc/94/14/07/270941407.db2.gz IRHBEJCNAOIOFZ-UHFFFAOYSA-N 0 0 302.359 0.916 10 0 DCAERN Cn1c2ccccc2n(CCC(=O)NC[C@@H](CO)C2CC2)c1=O ZINC000358321059 271049704 /nfs/dbraw/zinc/04/97/04/271049704.db2.gz PFYDPUZANKDQAX-ZDUSSCGKSA-N 0 0 317.389 0.865 10 0 DCAERN Cn1cccc1[C@@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC000358547152 271055479 /nfs/dbraw/zinc/05/54/79/271055479.db2.gz LRRXOPRVCGYMNW-HNNXBMFYSA-N 0 0 318.421 0.853 10 0 DCAERN CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C ZINC000358663323 271065007 /nfs/dbraw/zinc/06/50/07/271065007.db2.gz KCIAFCAESATIAL-VHSXEESVSA-N 0 0 317.415 0.133 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N[C@@H]1CCc2ncnn2C1 ZINC000358770156 271070676 /nfs/dbraw/zinc/07/06/76/271070676.db2.gz UDEMVYXUKMIBHG-GFCCVEGCSA-N 0 0 311.349 0.969 10 0 DCAERN Cn1cc(NC(=O)C(=O)NCCc2ccccc2O)ccc1=O ZINC000359420515 271119424 /nfs/dbraw/zinc/11/94/24/271119424.db2.gz WASCLPQNQUFQCM-UHFFFAOYSA-N 0 0 315.329 0.388 10 0 DCAERN CC(C)OCc1nc([C@@H](C)NC(=O)COc2cnn(C)c2)no1 ZINC000359627561 271135400 /nfs/dbraw/zinc/13/54/00/271135400.db2.gz XRCYECZDCDBTNI-SNVBAGLBSA-N 0 0 323.353 0.984 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@H](CO)[C@@H]2CCOC2)cn1 ZINC000361267133 271175196 /nfs/dbraw/zinc/17/51/96/271175196.db2.gz QPZPMKDKQGULJX-DGCLKSJQSA-N 0 0 323.393 0.582 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000363700986 271201488 /nfs/dbraw/zinc/20/14/88/271201488.db2.gz RWUGEPYJQJYQFX-LPWJVIDDSA-N 0 0 315.439 0.562 10 0 DCAERN CCCc1nc(C(N)=O)nn1Cc1ccc(C(=O)NC)cc1 ZINC000419025616 271265616 /nfs/dbraw/zinc/26/56/16/271265616.db2.gz MJYNSVSLUTZQFW-UHFFFAOYSA-N 0 0 301.350 0.737 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1C ZINC000447758640 271800163 /nfs/dbraw/zinc/80/01/63/271800163.db2.gz NCVCFQLWRWQBMJ-MRXNPFEDSA-N 0 0 317.345 0.823 10 0 DCAERN C[C@@H](OCCc1ccccc1)C(=O)N(C)Cc1nnnn1C ZINC000450106740 271869555 /nfs/dbraw/zinc/86/95/55/271869555.db2.gz UPXDILFQDUQJCF-GFCCVEGCSA-N 0 0 303.366 0.816 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)n2cccn2)CC12COC2 ZINC000452232449 271911441 /nfs/dbraw/zinc/91/14/41/271911441.db2.gz WNVGTKBKPCCJPJ-RYUDHWBXSA-N 0 0 307.350 0.482 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2(CCOC)CC2)CC12COC2 ZINC000452249854 271912245 /nfs/dbraw/zinc/91/22/45/271912245.db2.gz BZXXNFGNEWFHJA-LBPRGKRZSA-N 0 0 311.378 0.841 10 0 DCAERN CCSCC[C@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458478002 271959545 /nfs/dbraw/zinc/95/95/45/271959545.db2.gz WJLNDGWZIZJFPH-WDEREUQCSA-N 0 0 301.416 0.470 10 0 DCAERN CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CCC12CCCC2 ZINC000458722705 271971318 /nfs/dbraw/zinc/97/13/18/271971318.db2.gz OBQSEUYOUOWDOJ-NSHDSACASA-N 0 0 318.443 0.404 10 0 DCAERN CCOC1(CNC(=O)NC[C@H](O)Cn2ccnn2)CCCC1 ZINC000458851650 271976435 /nfs/dbraw/zinc/97/64/35/271976435.db2.gz LGZLJPIKNWZBFW-LBPRGKRZSA-N 0 0 311.386 0.288 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCCCC2)C1 ZINC000459792452 272008394 /nfs/dbraw/zinc/00/83/94/272008394.db2.gz IDVYXLZYROQDJZ-ZDUSSCGKSA-N 0 0 309.410 0.906 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000461267332 272026239 /nfs/dbraw/zinc/02/62/39/272026239.db2.gz BVFUYHKPAHMEKQ-MXWKQRLJSA-N 0 0 311.382 0.779 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000471693851 272030056 /nfs/dbraw/zinc/03/00/56/272030056.db2.gz QWUUUCHJGRDIJE-GHMZBOCLSA-N 0 0 317.345 0.786 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000487151094 272038501 /nfs/dbraw/zinc/03/85/01/272038501.db2.gz MMFLPJYUYHUWJS-YUMQZZPRSA-N 0 0 315.757 0.854 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000487151093 272038913 /nfs/dbraw/zinc/03/89/13/272038913.db2.gz MMFLPJYUYHUWJS-SFYZADRCSA-N 0 0 315.757 0.854 10 0 DCAERN O=C(NCC(=O)N1CCCC1)NC[C@@H](CO)c1ccccc1 ZINC000489623716 272064626 /nfs/dbraw/zinc/06/46/26/272064626.db2.gz RNLBVDCTRZPFRM-AWEZNQCLSA-N 0 0 305.378 0.684 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2cn3cccnc3n2)CC1 ZINC000494393127 272221111 /nfs/dbraw/zinc/22/11/11/272221111.db2.gz BNWJBKPXCGBEDY-UHFFFAOYSA-N 0 0 317.393 0.799 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000494445836 272222635 /nfs/dbraw/zinc/22/26/35/272222635.db2.gz KXWWXLHWBCMTKQ-CYBMUJFWSA-N 0 0 313.442 0.716 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC[C@H](C)OC ZINC000494883098 272233357 /nfs/dbraw/zinc/23/33/57/272233357.db2.gz NOGAJVQSXCTZHB-DCAQKATOSA-N 0 0 317.386 0.167 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1COC(=O)N1)CC2 ZINC000496180161 272298442 /nfs/dbraw/zinc/29/84/42/272298442.db2.gz GFGVMACVNDDUPV-CQSZACIVSA-N 0 0 302.330 0.925 10 0 DCAERN O=C(Cc1cncc(O)c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496683583 272335373 /nfs/dbraw/zinc/33/53/73/272335373.db2.gz PMHVHYZCMRLGDZ-NSHDSACASA-N 0 0 305.334 0.630 10 0 DCAERN CN(CC1(O)CCOCC1)C(=O)NCCOCC1CCC1 ZINC000516757358 272444817 /nfs/dbraw/zinc/44/48/17/272444817.db2.gz PEFMWJPFQFYUBT-UHFFFAOYSA-N 0 0 300.399 0.986 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N(C)Cc2nnnn2C)n1 ZINC000531567485 272764404 /nfs/dbraw/zinc/76/44/04/272764404.db2.gz GTDDJAKFTHLFGS-UHFFFAOYSA-N 0 0 313.774 0.648 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2c(c1)COC2 ZINC000533205488 272803381 /nfs/dbraw/zinc/80/33/81/272803381.db2.gz GMQVFGFGWLMBBI-UHFFFAOYSA-N 0 0 302.338 0.582 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000527502171 287695110 /nfs/dbraw/zinc/69/51/10/287695110.db2.gz JWVXIOLXYDRIQD-VHSXEESVSA-N 0 0 309.432 0.427 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000528485717 287715810 /nfs/dbraw/zinc/71/58/10/287715810.db2.gz UOJZNVTYJBQARY-KGLIPLIRSA-N 0 0 313.375 0.707 10 0 DCAERN COC[C@@](C)(O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000531021218 287765369 /nfs/dbraw/zinc/76/53/69/287765369.db2.gz VBLVCPIFZQUCHP-MRXNPFEDSA-N 0 0 324.377 0.706 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)c[nH]1 ZINC000530894005 287761994 /nfs/dbraw/zinc/76/19/94/287761994.db2.gz YZNFARZTFAKQSI-UHFFFAOYSA-N 0 0 306.347 0.890 10 0 DCAERN COC[C@](C)(CC(=O)OC)NC(=O)c1cn2cccnc2n1 ZINC000531388601 287776730 /nfs/dbraw/zinc/77/67/30/287776730.db2.gz ONXZNZSSIDYJEA-AWEZNQCLSA-N 0 0 306.322 0.427 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000534256695 287807121 /nfs/dbraw/zinc/80/71/21/287807121.db2.gz GZLMCWBPGBUNBA-RKDXNWHRSA-N 0 0 323.319 0.075 10 0 DCAERN Cn1ccc(CNC(=O)C[C@H]2Oc3ccccc3NC2=O)n1 ZINC000535028550 287825249 /nfs/dbraw/zinc/82/52/49/287825249.db2.gz AVBPWHYVQJAISZ-CYBMUJFWSA-N 0 0 300.318 0.826 10 0 DCAERN CC(C)c1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cn1 ZINC000130283288 275735624 /nfs/dbraw/zinc/73/56/24/275735624.db2.gz MXKZQWOQPAYPCC-UHFFFAOYSA-N 0 0 302.334 0.855 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)N1CC[C@H](NC(N)=O)C1)C2 ZINC000536510251 287854785 /nfs/dbraw/zinc/85/47/85/287854785.db2.gz XYBFIIJWVSIUCC-NEPJUHHUSA-N 0 0 318.381 0.095 10 0 DCAERN CCN1C[C@H](C)N(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000408042019 276250605 /nfs/dbraw/zinc/25/06/05/276250605.db2.gz PHRLYCWESIWJIC-RQJABVFESA-N 0 0 319.471 0.755 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCC2CC2)C1 ZINC000538854380 287886412 /nfs/dbraw/zinc/88/64/12/287886412.db2.gz CSXSQIPACWRNLQ-GFCCVEGCSA-N 0 0 303.428 0.900 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)C1 ZINC000191480413 277026354 /nfs/dbraw/zinc/02/63/54/277026354.db2.gz WBZFSMBDACUGQD-MRXNPFEDSA-N 0 0 315.373 0.307 10 0 DCAERN CC(=O)N[C@H](C)C1CCN(C(=O)[C@@]2(O)CCSC2)CC1 ZINC000408329717 277052797 /nfs/dbraw/zinc/05/27/97/277052797.db2.gz FXFBVEUOTYYERI-QMTHXVAHSA-N 0 0 300.424 0.618 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)NCCN2CCNC(=O)C2)n1 ZINC000541905085 287932818 /nfs/dbraw/zinc/93/28/18/287932818.db2.gz FRLJVZQMORNHGJ-SNVBAGLBSA-N 0 0 311.411 0.244 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1C ZINC000408047844 277089208 /nfs/dbraw/zinc/08/92/08/277089208.db2.gz JHJJOYDGHNTXLZ-HBNTYKKESA-N 0 0 306.366 0.567 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)CC1=O ZINC000079077536 277157169 /nfs/dbraw/zinc/15/71/69/277157169.db2.gz CIWDQNLNRQPMET-LBPRGKRZSA-N 0 0 308.426 0.875 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N1CCOCC1 ZINC000046194672 277484842 /nfs/dbraw/zinc/48/48/42/277484842.db2.gz ZIMJNEBKEIKELP-UONOGXRCSA-N 0 0 311.426 0.328 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C3CCC3)CC2)C[C@H](C)O1 ZINC000172105494 277908932 /nfs/dbraw/zinc/90/89/32/277908932.db2.gz JCHFRCJOWZYGEO-BETUJISGSA-N 0 0 317.455 0.511 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCS(C)(=O)=O ZINC000340751451 277962882 /nfs/dbraw/zinc/96/28/82/277962882.db2.gz GOWDYXPDQMDXEK-LBPRGKRZSA-N 0 0 304.412 0.281 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000369970031 278057748 /nfs/dbraw/zinc/05/77/48/278057748.db2.gz OFFJUKVCMYSQFA-RYUDHWBXSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CCO2 ZINC000408046457 278058931 /nfs/dbraw/zinc/05/89/31/278058931.db2.gz CEXACIWWDFWREX-FIXISWKDSA-N 0 0 306.366 0.316 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000367756862 278066981 /nfs/dbraw/zinc/06/69/81/278066981.db2.gz YEZZWYJZILUVSD-NEPJUHHUSA-N 0 0 320.370 0.668 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)C1 ZINC000191476104 278091451 /nfs/dbraw/zinc/09/14/51/278091451.db2.gz BNLDPYGOJIMFKO-CABCVRRESA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)N1CCc2ccccc2C1 ZINC000091810002 278194209 /nfs/dbraw/zinc/19/42/09/278194209.db2.gz IWNHOIITBCXPQO-WFASDCNBSA-N 0 0 317.389 0.146 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)cs1 ZINC000340293480 278243149 /nfs/dbraw/zinc/24/31/49/278243149.db2.gz WHAOZFBHAMYQAE-JTQLQIEISA-N 0 0 316.404 0.844 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(N2CCC2=O)cc1)N1C(=O)CCC1=O ZINC000546698625 288026850 /nfs/dbraw/zinc/02/68/50/288026850.db2.gz BEOKHBDZKBAMTI-JTQLQIEISA-N 0 0 315.329 0.899 10 0 DCAERN C[C@H](NC(=O)CSCCOCCO)C(=O)N1CCCCC1 ZINC000547302371 288037260 /nfs/dbraw/zinc/03/72/60/288037260.db2.gz WFPWIIWUPQUBFE-LBPRGKRZSA-N 0 0 318.439 0.246 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000126496841 278684702 /nfs/dbraw/zinc/68/47/02/278684702.db2.gz QJFIZRWVZGRKBT-NEPJUHHUSA-N 0 0 318.439 0.573 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000547734533 288073913 /nfs/dbraw/zinc/07/39/13/288073913.db2.gz HVGJIGHPXQXZOR-CYBMUJFWSA-N 0 0 302.330 0.606 10 0 DCAERN O=C([C@H](O)Cc1ccccc1Cl)N1CCN2CCOC[C@@H]2C1 ZINC000547810955 288081988 /nfs/dbraw/zinc/08/19/88/288081988.db2.gz ZYFIFPHSAMUVND-DZGCQCFKSA-N 0 0 324.808 0.786 10 0 DCAERN CCc1nc(C(=O)NCCCn2nc3n(c2=O)CCCC3)no1 ZINC000547825198 288083101 /nfs/dbraw/zinc/08/31/01/288083101.db2.gz KHHODZDYLYGSQG-UHFFFAOYSA-N 0 0 320.353 0.147 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cn1ccc2ccccc2c1=O ZINC000548060154 288107480 /nfs/dbraw/zinc/10/74/80/288107480.db2.gz MYOXSCHKJPYLLQ-UHFFFAOYSA-N 0 0 312.333 0.184 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)CC(F)(F)F ZINC000408445740 279201697 /nfs/dbraw/zinc/20/16/97/279201697.db2.gz ZKVHFZTVDANJCO-QMMMGPOBSA-N 0 0 302.318 0.725 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H]1COc2ccccc2C1 ZINC000179104054 279212877 /nfs/dbraw/zinc/21/28/77/279212877.db2.gz JPXQEKFMNPNDFP-GFCCVEGCSA-N 0 0 314.345 0.787 10 0 DCAERN Cn1[nH]c(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)nc1=O ZINC000329462282 279299812 /nfs/dbraw/zinc/29/98/12/279299812.db2.gz TXGHEVHFIZKAEL-OAHLLOKOSA-N 0 0 313.317 0.206 10 0 DCAERN CC(C)N(C)C(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000408427664 279323970 /nfs/dbraw/zinc/32/39/70/279323970.db2.gz QDWNWLBLUOVHAD-QWHCGFSZSA-N 0 0 302.440 0.895 10 0 DCAERN Cn1cnnc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000164064153 279393655 /nfs/dbraw/zinc/39/36/55/279393655.db2.gz RSYCZXNDNRXCLG-UHFFFAOYSA-N 0 0 322.126 0.873 10 0 DCAERN CN1CCN(CC(=O)Nc2cccc3c2OCCC3)CC1=O ZINC000548405064 288140233 /nfs/dbraw/zinc/14/02/33/288140233.db2.gz QEAZEUABHGKKGR-UHFFFAOYSA-N 0 0 303.362 0.724 10 0 DCAERN O=C(Cc1cc[nH]n1)NCc1cccc(N2CCOCC2)n1 ZINC000548501972 288148820 /nfs/dbraw/zinc/14/88/20/288148820.db2.gz PYCUDLRIPSLTJZ-UHFFFAOYSA-N 0 0 301.350 0.500 10 0 DCAERN Cc1cnc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)s1 ZINC000548717440 288170239 /nfs/dbraw/zinc/17/02/39/288170239.db2.gz TZIHXKAAVOZVSM-AWEZNQCLSA-N 0 0 307.375 0.681 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCCc2n[nH]cc21 ZINC000548720458 288170615 /nfs/dbraw/zinc/17/06/15/288170615.db2.gz MVMYNSHLNKINED-OAHLLOKOSA-N 0 0 302.334 0.302 10 0 DCAERN COc1nn(C)cc1NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000548746952 288172764 /nfs/dbraw/zinc/17/27/64/288172764.db2.gz ITNFFZOZRAJSEM-IINYFYTJSA-N 0 0 310.354 0.840 10 0 DCAERN Cc1nnc([C@@H]2CCCN(C(=O)COc3cnn(C)c3)C2)[nH]1 ZINC000548803575 288177777 /nfs/dbraw/zinc/17/77/77/288177777.db2.gz HPPIECXNXKDKDM-LLVKDONJSA-N 0 0 304.354 0.632 10 0 DCAERN Cn1cc(OCC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)cn1 ZINC000548827500 288180209 /nfs/dbraw/zinc/18/02/09/288180209.db2.gz XIQZYGGHUNSORC-MRXNPFEDSA-N 0 0 314.345 0.798 10 0 DCAERN CC(C)[C@@H]1N(C(=O)NC[C@H]2CN(C)CCO2)C[C@]12CCCO2 ZINC000333784165 280047074 /nfs/dbraw/zinc/04/70/74/280047074.db2.gz WBVLDJNJDCDHAL-OFQRWUPVSA-N 0 0 311.426 0.916 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000549206948 288194872 /nfs/dbraw/zinc/19/48/72/288194872.db2.gz MUISYXIGRZOJSB-OCCSQVGLSA-N 0 0 319.409 0.524 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279059122 280107893 /nfs/dbraw/zinc/10/78/93/280107893.db2.gz ZVMYRRUDNRUEOE-BBRMVZONSA-N 0 0 302.330 0.565 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)N1CCCC1=O ZINC000328889056 280161018 /nfs/dbraw/zinc/16/10/18/280161018.db2.gz QNOMTPNKYNFMDE-SQWLQELKSA-N 0 0 323.437 0.565 10 0 DCAERN c1c(CN2C[C@@H]3COC[C@H](C2)O3)nnn1Cc1cccnc1 ZINC000549824881 288207070 /nfs/dbraw/zinc/20/70/70/288207070.db2.gz OJVIJYGHMFNBPG-GASCZTMLSA-N 0 0 301.350 0.321 10 0 DCAERN Cc1cn2cc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)sc2n1 ZINC000551906912 288243422 /nfs/dbraw/zinc/24/34/22/288243422.db2.gz RJUBEJAJPFHFJK-SCZZXKLOSA-N 0 0 308.363 0.419 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[S@]1=O ZINC000408225821 288248521 /nfs/dbraw/zinc/24/85/21/288248521.db2.gz XKQKJANWZUAEOC-FTFVXWMISA-N 0 0 310.423 0.368 10 0 DCAERN CC1(C)C[S@](=O)CCN1C[C@H](O)COC[C@H]1CCCO1 ZINC000551985875 288255163 /nfs/dbraw/zinc/25/51/63/288255163.db2.gz ORFHMHVGPFXSRR-MRRFBWAASA-N 0 0 305.440 0.386 10 0 DCAERN CC[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000408347412 288257764 /nfs/dbraw/zinc/25/77/64/288257764.db2.gz YSDYRLWGQFJCAH-AAEUAGOBSA-N 0 0 305.396 0.218 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@@H]3CCc4ncnn4C3)nn2)cc1 ZINC000112647109 280742714 /nfs/dbraw/zinc/74/27/14/280742714.db2.gz XMGUIGCGSHPBDX-GFCCVEGCSA-N 0 0 323.360 0.912 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1 ZINC000552405755 288274511 /nfs/dbraw/zinc/27/45/11/288274511.db2.gz YINMAONJRDTFNZ-LLVKDONJSA-N 0 0 317.349 0.313 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000407985203 281389398 /nfs/dbraw/zinc/38/93/98/281389398.db2.gz MOSZGRWQRUZTRR-GXSJLCMTSA-N 0 0 308.382 0.106 10 0 DCAERN COCCn1cc(CNC(=O)c2cn3cccnc3n2)cn1 ZINC000554573321 288330297 /nfs/dbraw/zinc/33/02/97/288330297.db2.gz PCRFUXGBQWTMJG-UHFFFAOYSA-N 0 0 300.322 0.502 10 0 DCAERN Cc1cc(NC(=O)COc2cnn(C)c2)ccc1-n1cnnn1 ZINC000554548185 288327999 /nfs/dbraw/zinc/32/79/99/288327999.db2.gz FGBFVIMNUNMDGN-UHFFFAOYSA-N 0 0 313.321 0.722 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1ncsc1Br ZINC000554617992 288333750 /nfs/dbraw/zinc/33/37/50/288333750.db2.gz HOCCVGMBNVGONK-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2C)[C@@H](C)C1 ZINC000554900332 288340922 /nfs/dbraw/zinc/34/09/22/288340922.db2.gz QZSCNEJBKIYGKK-LBPRGKRZSA-N 0 0 314.393 0.858 10 0 DCAERN C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000555677439 288359812 /nfs/dbraw/zinc/35/98/12/288359812.db2.gz XLPBXDVOBSCPFA-DTWKUNHWSA-N 0 0 307.803 0.855 10 0 DCAERN C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000555677442 288359916 /nfs/dbraw/zinc/35/99/16/288359916.db2.gz XLPBXDVOBSCPFA-RKDXNWHRSA-N 0 0 307.803 0.855 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCn2ccnc2)C1 ZINC000556654583 288380866 /nfs/dbraw/zinc/38/08/66/288380866.db2.gz IBCMJELEBVQOLE-CHWSQXEVSA-N 0 0 308.382 0.463 10 0 DCAERN Cn1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)n1 ZINC000558922999 288462648 /nfs/dbraw/zinc/46/26/48/288462648.db2.gz POYSVYHTGPJNOM-WFASDCNBSA-N 0 0 307.394 0.647 10 0 DCAERN O=C(NC[C@@H]1COCCO1)Nc1ccc2c(c1F)CCNC2=O ZINC000560385175 288497901 /nfs/dbraw/zinc/49/79/01/288497901.db2.gz NNVNCTQSAYAULO-SECBINFHSA-N 0 0 323.324 0.649 10 0 DCAERN Cc1c(CNC(=O)C(=O)Nc2ccc3nccn3c2)cnn1C ZINC000561017575 288524001 /nfs/dbraw/zinc/52/40/01/288524001.db2.gz XKJUOXIOVMSGAV-UHFFFAOYSA-N 0 0 312.333 0.631 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nncn1C ZINC000561931846 288553997 /nfs/dbraw/zinc/55/39/97/288553997.db2.gz GVOJAAPDDFBMEL-UHFFFAOYSA-N 0 0 303.322 0.614 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000561942853 288554007 /nfs/dbraw/zinc/55/40/07/288554007.db2.gz XYSWWMHICVNBGU-UHFFFAOYSA-N 0 0 320.436 0.604 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)on1 ZINC000561954782 288554398 /nfs/dbraw/zinc/55/43/98/288554398.db2.gz GJDPQCJAYVFFHQ-JTQLQIEISA-N 0 0 301.368 0.354 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@H](CO)[C@@H](O)C1 ZINC000562417929 288573799 /nfs/dbraw/zinc/57/37/99/288573799.db2.gz UUIPNIWNRARUQS-HIFRSBDPSA-N 0 0 316.361 0.147 10 0 DCAERN Cn1cc([C@@H](NC(=O)CNC(=O)C2CC2)C(F)(F)F)cn1 ZINC000562488126 288579827 /nfs/dbraw/zinc/57/98/27/288579827.db2.gz CESIQEVETQWJAU-SNVBAGLBSA-N 0 0 304.272 0.666 10 0 DCAERN NS(=O)(=O)c1cccc(N2C(=O)N[C@H](CC3CC3)C2=O)c1 ZINC000562563527 288584631 /nfs/dbraw/zinc/58/46/31/288584631.db2.gz DCWUKQYBXUNEKM-LLVKDONJSA-N 0 0 309.347 0.559 10 0 DCAERN CCc1ccccc1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000372496537 288589274 /nfs/dbraw/zinc/58/92/74/288589274.db2.gz MIXYNIVUBIIMQS-CQSZACIVSA-N 0 0 310.419 0.954 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cc(Cc2ccccc2)n[nH]1 ZINC000563520329 288682157 /nfs/dbraw/zinc/68/21/57/288682157.db2.gz BFBUPUWQGPLJKB-UHFFFAOYSA-N 0 0 311.349 0.796 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@]3(CCSC3)C2)C1 ZINC000563815476 288706515 /nfs/dbraw/zinc/70/65/15/288706515.db2.gz XZFPOQHHLZHRBQ-DZGCQCFKSA-N 0 0 312.435 0.979 10 0 DCAERN CCn1cncc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408338812 288749061 /nfs/dbraw/zinc/74/90/61/288749061.db2.gz AJQJJSPKSAXXCV-UWVGGRQHSA-N 0 0 300.384 0.178 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000408398326 288749166 /nfs/dbraw/zinc/74/91/66/288749166.db2.gz YDJPZJYZSVFVNS-ZJUUUORDSA-N 0 0 321.424 0.099 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCn2cncc2C1 ZINC000329693058 289047517 /nfs/dbraw/zinc/04/75/17/289047517.db2.gz GZNUQJNAWIFDBX-IJEWVQPXSA-N 0 0 318.421 0.767 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C(C)(C)C1 ZINC000375113780 290018625 /nfs/dbraw/zinc/01/86/25/290018625.db2.gz LGZDJFULYPUEOL-LBPRGKRZSA-N 0 0 314.451 0.754 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]21 ZINC000408019707 290081793 /nfs/dbraw/zinc/08/17/93/290081793.db2.gz AKHDTVUFSGPBOL-IJLUTSLNSA-N 0 0 312.414 0.001 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)N3CCCCC3)C[C@@H]21 ZINC000328864158 290114989 /nfs/dbraw/zinc/11/49/89/290114989.db2.gz GBHRKHLZUHMSFU-STQMWFEESA-N 0 0 303.428 0.122 10 0 DCAERN C[C@H](c1c(F)cccc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248069791 290214274 /nfs/dbraw/zinc/21/42/74/290214274.db2.gz MMRKZJWUMJRIHD-ZJUUUORDSA-N 0 0 309.316 0.668 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CCC1=O ZINC000078982347 290273741 /nfs/dbraw/zinc/27/37/41/290273741.db2.gz MIIOQTXXGLPDBQ-QWRGUYRKSA-N 0 0 310.398 0.306 10 0 DCAERN CNC(=O)C(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000408014207 290331754 /nfs/dbraw/zinc/33/17/54/290331754.db2.gz RWZQUTSOLTVVGW-LBPRGKRZSA-N 0 0 307.394 0.374 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000082980235 293520838 /nfs/dbraw/zinc/52/08/38/293520838.db2.gz WKGKKRIHTKQAKE-WDEREUQCSA-N 0 0 306.370 0.328 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC[C@@H]1C ZINC000408256041 293812834 /nfs/dbraw/zinc/81/28/34/293812834.db2.gz JZHVHIPLXOWNNQ-QJPTWQEYSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000408336961 297038260 /nfs/dbraw/zinc/03/82/60/297038260.db2.gz AQWXMRUQVCRKAC-RKDXNWHRSA-N 0 0 303.302 0.758 10 0 DCAERN Cn1c(CN2NC(=O)CC23CCCCC3)cc(=O)n(C)c1=O ZINC000289451729 294156823 /nfs/dbraw/zinc/15/68/23/294156823.db2.gz XKAYTAULLFJVRL-UHFFFAOYSA-N 0 0 306.366 0.024 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)[C@@H]2Cc3ccccc3O2)cn1 ZINC000181331340 294299968 /nfs/dbraw/zinc/29/99/68/294299968.db2.gz OEKZRRDIHUJUPT-ZBFHGGJFSA-N 0 0 312.373 0.897 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000246810268 294355026 /nfs/dbraw/zinc/35/50/26/294355026.db2.gz PVJODAHNAIJYTD-RAIGVLPGSA-N 0 0 318.377 0.823 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)N(C(C)=O)C1 ZINC000408275405 294649610 /nfs/dbraw/zinc/64/96/10/294649610.db2.gz YZHOWYRODCYPRZ-RSUWNVLCSA-N 0 0 312.410 0.942 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cc(F)c(F)cc1F ZINC000091784487 295118908 /nfs/dbraw/zinc/11/89/08/295118908.db2.gz NNDASCFRXFLIQR-NSHDSACASA-N 0 0 302.252 0.359 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 ZINC000408262198 295175358 /nfs/dbraw/zinc/17/53/58/295175358.db2.gz HGIQUBFVWFXSDL-JQWIXIFHSA-N 0 0 302.334 0.064 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333131648 297522537 /nfs/dbraw/zinc/52/25/37/297522537.db2.gz WWJMGCWBVRPGNJ-WFGGJUAMSA-N 0 0 309.410 0.990 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000253351803 297566287 /nfs/dbraw/zinc/56/62/87/297566287.db2.gz LNYRAJFGWLUHTN-KCQAQPDRSA-N 0 0 300.399 0.001 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000250539542 297570683 /nfs/dbraw/zinc/57/06/83/297570683.db2.gz MWNAQHBPHNUSQI-WCFLWFBJSA-N 0 0 301.408 0.980 10 0 DCAERN C[C@H](C1CC1)N(C(=O)CN1CCS(=O)(=O)[C@H](C)C1)C1CC1 ZINC000247211071 298250918 /nfs/dbraw/zinc/25/09/18/298250918.db2.gz WYUBVYNRSCSWLO-VXGBXAGGSA-N 0 0 314.451 0.895 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408247699 299021045 /nfs/dbraw/zinc/02/10/45/299021045.db2.gz PSEXWQRBCJBTJZ-ZBEGNZNMSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000068100630 300034826 /nfs/dbraw/zinc/03/48/26/300034826.db2.gz PENBYGKSTXAHLA-GXFFZTMASA-N 0 0 318.377 0.581 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCc3ncnn3C1)CS2 ZINC000112662783 300866511 /nfs/dbraw/zinc/86/65/11/300866511.db2.gz ZTUYELCFWGQMCM-BFVZDQMLSA-N 0 0 321.406 0.163 10 0 DCAERN C[C@]12CCCN1C(=O)N(C1CCN(S(C)(=O)=O)CC1)C2=O ZINC000408127502 300868324 /nfs/dbraw/zinc/86/83/24/300868324.db2.gz FJWBYAKIRUECSD-CYBMUJFWSA-N 0 0 315.395 0.227 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000123790241 301244081 /nfs/dbraw/zinc/24/40/81/301244081.db2.gz XQUQVALWOLJXLL-STQMWFEESA-N 0 0 308.382 0.113 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000159173405 301316072 /nfs/dbraw/zinc/31/60/72/301316072.db2.gz FPDRAVONBCSKFC-SNVBAGLBSA-N 0 0 321.395 0.942 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)N1CCOCC1 ZINC000329041161 302506942 /nfs/dbraw/zinc/50/69/42/302506942.db2.gz OKFCVDJXFWQUNM-KBPBESRZSA-N 0 0 322.409 0.647 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000329106581 302778766 /nfs/dbraw/zinc/77/87/66/302778766.db2.gz DKYJNAWRIBTZPC-VXGBXAGGSA-N 0 0 306.366 0.913 10 0 DCAERN NC(=O)N1CCCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000158085918 303264214 /nfs/dbraw/zinc/26/42/14/303264214.db2.gz PYNNEYGOHJEURK-SNVBAGLBSA-N 0 0 322.331 0.626 10 0 DCAERN O=C(N1CCC2(C1)Oc1ccccc1O2)C1(O)CCOCC1 ZINC000330237201 303668528 /nfs/dbraw/zinc/66/85/28/303668528.db2.gz URIQRAOVWICGAU-UHFFFAOYSA-N 0 0 305.330 0.928 10 0 DCAERN O=C(N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)[C@@]1(O)CCSC1 ZINC000328942760 303695263 /nfs/dbraw/zinc/69/52/63/303695263.db2.gz 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/nfs/dbraw/zinc/26/27/88/336262788.db2.gz VOLIZYJPUPORCQ-UHFFFAOYSA-N 0 0 318.377 0.869 10 0 DCAERN O=C(NC[C@@H]1CCCn2ccnc21)C(=O)N1CCCOCC1 ZINC000583835252 337340600 /nfs/dbraw/zinc/34/06/00/337340600.db2.gz WPCIRUIPKFVIJU-LBPRGKRZSA-N 0 0 306.366 0.126 10 0 DCAERN O=c1c(C2(F)COC2)cc(Br)cn1C[C@@H](O)CO ZINC000584622006 337374915 /nfs/dbraw/zinc/37/49/15/337374915.db2.gz KJIOPHRKUVKAHL-MRVPVSSYSA-N 0 0 322.130 0.159 10 0 DCAERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CCOCC2(CC2)C1 ZINC000583893648 337384516 /nfs/dbraw/zinc/38/45/16/337384516.db2.gz IOFNWNFTFVKSNC-UONOGXRCSA-N 0 0 322.405 0.699 10 0 DCAERN COC(=O)C=C(N)COCCN1C(=O)c2ccccc2C1=O ZINC000504159881 340142071 /nfs/dbraw/zinc/14/20/71/340142071.db2.gz HLBWWPLQGTYAKL-NTMALXAHSA-N 0 0 304.302 0.315 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000172439058 341799005 /nfs/dbraw/zinc/79/90/05/341799005.db2.gz DGICZGWEWHSOMZ-AAEUAGOBSA-N 0 0 324.425 0.779 10 0 DCAERN COC(=O)c1nc2nc(C)cc(NC[C@@H](O)C(F)F)n2n1 ZINC000575941772 341816343 /nfs/dbraw/zinc/81/63/43/341816343.db2.gz PSEUDPWDEVUIOS-ZCFIWIBFSA-N 0 0 301.253 0.257 10 0 DCAERN Cc1cccc(CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000175699045 341842206 /nfs/dbraw/zinc/84/22/06/341842206.db2.gz BIGIWKVOJZDCDK-OAHLLOKOSA-N 0 0 322.409 0.225 10 0 DCAERN COCC1(C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000577159890 341892478 /nfs/dbraw/zinc/89/24/78/341892478.db2.gz IUBJVAQXRVVYPU-NSHDSACASA-N 0 0 306.366 0.458 10 0 DCAERN COc1cc(CNC(=O)NCc2cc(C(N)=O)co2)ccn1 ZINC000190123973 533851660 /nfs/dbraw/zinc/85/16/60/533851660.db2.gz WFKUXWHOENBULI-UHFFFAOYSA-N 0 0 304.306 0.782 10 0 DCAERN Cc1ncc(S(N)(=O)=O)cc1C(=O)N(C)CCn1cccn1 ZINC000563373587 518193208 /nfs/dbraw/zinc/19/32/08/518193208.db2.gz JCNAXYJPTFVQSL-UHFFFAOYSA-N 0 0 323.378 0.006 10 0 DCAERN C/C=C/C[C@@H](CO)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000364276023 518527573 /nfs/dbraw/zinc/52/75/73/518527573.db2.gz XXFPBYHHBUTHIQ-QSKOYVBTSA-N 0 0 323.393 0.683 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000266712836 518678540 /nfs/dbraw/zinc/67/85/40/518678540.db2.gz CXVQEVKXPRTMHN-IUODEOHRSA-N 0 0 316.361 0.019 10 0 DCAERN CC(=O)N1CC(C(=O)NC2CCC(c3nc(C)no3)CC2)C1 ZINC000365003054 519488383 /nfs/dbraw/zinc/48/83/83/519488383.db2.gz SAYKMLOSCAVBCW-UHFFFAOYSA-N 0 0 306.366 0.999 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000191340061 519646945 /nfs/dbraw/zinc/64/69/45/519646945.db2.gz HNCBQXAIYKFFRR-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)c2cnn3c2CCCC3)C1=O ZINC000128242556 519667917 /nfs/dbraw/zinc/66/79/17/519667917.db2.gz BJGDIHHQGBDXFS-NSHDSACASA-N 0 0 304.350 0.485 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000185852276 519828007 /nfs/dbraw/zinc/82/80/07/519828007.db2.gz VFHCAKIZYLEZBN-ZIAGYGMSSA-N 0 0 317.389 0.810 10 0 DCAERN CCCN1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000190181096 519849719 /nfs/dbraw/zinc/84/97/19/519849719.db2.gz ONQFFCVAVFJINR-LBPRGKRZSA-N 0 0 320.397 0.247 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@H](F)C[C@H]2CO)C1 ZINC000372500849 519867703 /nfs/dbraw/zinc/86/77/03/519867703.db2.gz CQIDFRVRJUWSDF-XQQFMLRXSA-N 0 0 300.374 0.956 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000154883036 519871359 /nfs/dbraw/zinc/87/13/59/519871359.db2.gz FUYZTCMVBBIFSP-CYBMUJFWSA-N 0 0 320.393 0.900 10 0 DCAERN CCOCCN1CCN(C(=O)CCCS(C)(=O)=O)C[C@H]1C ZINC000117275611 519913496 /nfs/dbraw/zinc/91/34/96/519913496.db2.gz COSBQOPWJLHHMZ-CYBMUJFWSA-N 0 0 320.455 0.380 10 0 DCAERN Cc1noc([C@H](C)N2CCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302025071 534469766 /nfs/dbraw/zinc/46/97/66/534469766.db2.gz KGLNTVFXNFEYQF-JTQLQIEISA-N 0 0 316.365 0.755 10 0 DCAERN CCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189185564 520263346 /nfs/dbraw/zinc/26/33/46/520263346.db2.gz SOHDLRDWQZIXLR-VHSXEESVSA-N 0 0 304.372 0.336 10 0 DCAERN CC1(C)CN(C(=O)CNC(=O)c2ccccc2)CCS1(=O)=O ZINC000163034032 520429032 /nfs/dbraw/zinc/42/90/32/520429032.db2.gz OBGIPLMMEUMKGS-UHFFFAOYSA-N 0 0 324.402 0.452 10 0 DCAERN CCOC(=O)C1(O)CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000266469991 520470035 /nfs/dbraw/zinc/47/00/35/520470035.db2.gz NSWOSKWLGXHXLV-UHFFFAOYSA-N 0 0 321.377 0.828 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccc(N)cc2)CCS1(=O)=O ZINC000186171809 520492400 /nfs/dbraw/zinc/49/24/00/520492400.db2.gz AHNFHEKYTNHWKS-UHFFFAOYSA-N 0 0 318.420 0.467 10 0 DCAERN CCOc1cc(C)nc(N2CCN(C(=O)C(C)(C)O)CC2)n1 ZINC000188428993 520689823 /nfs/dbraw/zinc/68/98/23/520689823.db2.gz CIKWGFQCEXSLRP-UHFFFAOYSA-N 0 0 308.382 0.603 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000156723003 520764070 /nfs/dbraw/zinc/76/40/70/520764070.db2.gz QJKJPTBCLVRYJT-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188736567 521732939 /nfs/dbraw/zinc/73/29/39/521732939.db2.gz WKJSZMGDYOYGSJ-UHFFFAOYSA-N 0 0 317.349 0.210 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000190949862 522014229 /nfs/dbraw/zinc/01/42/29/522014229.db2.gz ZLZFRKWNRMQSHL-CYBMUJFWSA-N 0 0 306.362 0.797 10 0 DCAERN Cc1nc2c(c(N3CCN([C@H](C)C(N)=O)CC3)n1)CCCC2 ZINC000302121611 534620506 /nfs/dbraw/zinc/62/05/06/534620506.db2.gz YFLHVAUHJBMBDA-LLVKDONJSA-N 0 0 303.410 0.660 10 0 DCAERN CN(CC1(CO)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000189156901 522595532 /nfs/dbraw/zinc/59/55/32/522595532.db2.gz IGWYTTXDQXIVIV-GFCCVEGCSA-N 0 0 306.362 0.859 10 0 DCAERN COCC(=O)NC1CN(C(=O)/C=C/SCc2ccco2)C1 ZINC000185303710 522756350 /nfs/dbraw/zinc/75/63/50/522756350.db2.gz XLZUQEAVWVRIIG-GQCTYLIASA-N 0 0 310.375 1.000 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)CC1 ZINC000189453706 522810535 /nfs/dbraw/zinc/81/05/35/522810535.db2.gz VNGHLYFMXMDCKP-AWEZNQCLSA-N 0 0 320.393 0.244 10 0 DCAERN COC(=O)CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000130639884 523116333 /nfs/dbraw/zinc/11/63/33/523116333.db2.gz CKBHTPBKNZTMHA-UONOGXRCSA-N 0 0 318.373 0.803 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nc(C)cc1C ZINC000155044307 523223835 /nfs/dbraw/zinc/22/38/35/523223835.db2.gz XVXULIALZYFONT-GFCCVEGCSA-N 0 0 318.381 0.889 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)c3ccc(OC)nn3)CCO2)cn1 ZINC000191762988 523480299 /nfs/dbraw/zinc/48/02/99/523480299.db2.gz ZZUPOOMUNRXNDD-CYBMUJFWSA-N 0 0 317.349 0.915 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000187735295 534714348 /nfs/dbraw/zinc/71/43/48/534714348.db2.gz GQSWMYLGLFELOT-OAHLLOKOSA-N 0 0 305.422 0.610 10 0 DCAERN CCc1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)n(C)n1 ZINC000154197645 523807720 /nfs/dbraw/zinc/80/77/20/523807720.db2.gz LIAXHSDCSJVAMU-VIFPVBQESA-N 0 0 300.384 0.633 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]1C ZINC000117296444 523841229 /nfs/dbraw/zinc/84/12/29/523841229.db2.gz ONAVYOBNAZCMPN-ZDUSSCGKSA-N 0 0 313.442 0.718 10 0 DCAERN CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCOC1 ZINC000161872070 523932841 /nfs/dbraw/zinc/93/28/41/523932841.db2.gz JDWAYMMNHOEYEU-SECBINFHSA-N 0 0 318.782 0.848 10 0 DCAERN CN(C(=O)c1ccnn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122511786 523955952 /nfs/dbraw/zinc/95/59/52/523955952.db2.gz UZOCVOOFJLQEGB-LBPRGKRZSA-N 0 0 300.366 0.951 10 0 DCAERN CN(C)C(=O)CN(CCc1ccc(F)cc1)CC(=O)N(C)C ZINC000119724863 523986018 /nfs/dbraw/zinc/98/60/18/523986018.db2.gz VBTOYNKJMHUHDU-UHFFFAOYSA-N 0 0 309.385 0.847 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)CCC1=O ZINC000131090849 524011894 /nfs/dbraw/zinc/01/18/94/524011894.db2.gz WNYUHSWUZROGBW-QWHCGFSZSA-N 0 0 318.377 0.003 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)c1cnn2c1CCCC2 ZINC000126749563 524017397 /nfs/dbraw/zinc/01/73/97/524017397.db2.gz KYACGOVLPQAXRR-GFCCVEGCSA-N 0 0 308.407 0.823 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)CCC1=O ZINC000162944371 524022665 /nfs/dbraw/zinc/02/26/65/524022665.db2.gz DQQBVSWQOSNWER-GFCCVEGCSA-N 0 0 305.382 0.920 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000158031199 524082453 /nfs/dbraw/zinc/08/24/53/524082453.db2.gz VPFSGIVLNNNCHJ-AWEZNQCLSA-N 0 0 317.389 0.994 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000364216927 524123025 /nfs/dbraw/zinc/12/30/25/524123025.db2.gz MYZJMHJHWWEHSQ-RYUDHWBXSA-N 0 0 316.427 0.205 10 0 DCAERN C[C@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188327514 524562173 /nfs/dbraw/zinc/56/21/73/524562173.db2.gz RELQULBJPYDFCN-ZWNOBZJWSA-N 0 0 309.341 0.607 10 0 DCAERN C[C@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188327541 524562962 /nfs/dbraw/zinc/56/29/62/524562962.db2.gz RELQULBJPYDFCN-MFKMUULPSA-N 0 0 309.341 0.607 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000176707639 524575377 /nfs/dbraw/zinc/57/53/77/524575377.db2.gz DETRGDRZKYFXOF-LBPRGKRZSA-N 0 0 318.377 0.415 10 0 DCAERN C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@H](C(N)=O)O1 ZINC000157511193 524768293 /nfs/dbraw/zinc/76/82/93/524768293.db2.gz KZSQWBNIRBOGCI-MWLCHTKSSA-N 0 0 322.365 0.371 10 0 DCAERN C[C@@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)C[C@H](C2CC2)O1 ZINC000366306310 524804608 /nfs/dbraw/zinc/80/46/08/524804608.db2.gz ULNKWHWDVJZOPG-PSASIEDQSA-N 0 0 323.315 0.874 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000131601196 524813131 /nfs/dbraw/zinc/81/31/31/524813131.db2.gz HTYBTDHUVHVKQS-RYUDHWBXSA-N 0 0 305.378 0.863 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc32)C[C@H](C(N)=O)O1 ZINC000157352259 524853117 /nfs/dbraw/zinc/85/31/17/524853117.db2.gz YEVLFBVOCHHBHG-PRHODGIISA-N 0 0 318.308 0.484 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H](C(N)=O)O1 ZINC000157515111 524862283 /nfs/dbraw/zinc/86/22/83/524862283.db2.gz VMGARCLVTNHABR-VXNVDRBHSA-N 0 0 317.267 0.815 10 0 DCAERN C[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)NC(C)(C)C ZINC000163841867 524963033 /nfs/dbraw/zinc/96/30/33/524963033.db2.gz WLMBZOGJCCXPTH-JTQLQIEISA-N 0 0 306.366 0.231 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187978881 524994253 /nfs/dbraw/zinc/99/42/53/524994253.db2.gz SSTORVKXDKIEFV-UHFFFAOYSA-N 0 0 302.334 0.066 10 0 DCAERN C[C@]1(c2cccnc2)NC(=O)N(C[C@H](O)C(F)(F)F)C1=O ZINC000158501048 525334056 /nfs/dbraw/zinc/33/40/56/525334056.db2.gz SFZPSDGSZUDQIW-GZMMTYOYSA-N 0 0 303.240 0.772 10 0 DCAERN Cc1ccc(S(=O)(=O)Cc2nnnn2CC(F)(F)F)nc1 ZINC000190801744 525493146 /nfs/dbraw/zinc/49/31/46/525493146.db2.gz URKPCVJTMRLPCN-UHFFFAOYSA-N 0 0 321.284 0.913 10 0 DCAERN CSC[C@@H](CCO)Nc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000156845620 525644870 /nfs/dbraw/zinc/64/48/70/525644870.db2.gz CMNRZUMIOJFSMY-VXGBXAGGSA-N 0 0 312.439 0.964 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188379814 525767415 /nfs/dbraw/zinc/76/74/15/525767415.db2.gz WBLIOQBDLLXOQS-BXUZGUMPSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1nccs1 ZINC000157870239 526241098 /nfs/dbraw/zinc/24/10/98/526241098.db2.gz MUWLYAFINCIADC-NSHDSACASA-N 0 0 324.450 0.743 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@]3(CO)CCOC3)no2)c1 ZINC000182868115 526265382 /nfs/dbraw/zinc/26/53/82/526265382.db2.gz VHFMYPFJELDWQV-CQSZACIVSA-N 0 0 306.322 0.109 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000174997128 526657249 /nfs/dbraw/zinc/65/72/49/526657249.db2.gz IJAUFYLOFZWAOS-AWEZNQCLSA-N 0 0 317.389 0.909 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)n2)C1 ZINC000193030758 526895933 /nfs/dbraw/zinc/89/59/33/526895933.db2.gz MVWHCCOOHNOCPU-LBPRGKRZSA-N 0 0 304.350 0.456 10 0 DCAERN O=C(c1nccn2ccnc12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000266551738 526923038 /nfs/dbraw/zinc/92/30/38/526923038.db2.gz IIOPPHCEUCPLHK-NSHDSACASA-N 0 0 300.240 0.869 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCOCC(F)F ZINC000191542578 526946248 /nfs/dbraw/zinc/94/62/48/526946248.db2.gz RPNOFOPKSCDLNI-LLVKDONJSA-N 0 0 315.320 0.664 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000266992598 527027402 /nfs/dbraw/zinc/02/74/02/527027402.db2.gz CSGNEHURKRKUQG-SECBINFHSA-N 0 0 310.663 0.732 10 0 DCAERN Cn1c2cccc(C(=O)N3CCO[C@@]4(CCOC4)C3)c2oc1=O ZINC000186100757 527107319 /nfs/dbraw/zinc/10/73/19/527107319.db2.gz PCBQDNBAASHXFX-INIZCTEOSA-N 0 0 318.329 0.763 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000162981085 527297307 /nfs/dbraw/zinc/29/73/07/527297307.db2.gz RTDXIBGDABIZNU-OLZOCXBDSA-N 0 0 315.439 0.551 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C2 ZINC000372217501 527318745 /nfs/dbraw/zinc/31/87/45/527318745.db2.gz QBKXZAVDWGDRQP-ZWNOBZJWSA-N 0 0 310.423 0.961 10 0 DCAERN Cn1ccc2ccc(NC(=O)C(=O)N3CCNC(=O)CC3)cc21 ZINC000190433453 527373614 /nfs/dbraw/zinc/37/36/14/527373614.db2.gz AIQHCLCEVGTHJZ-UHFFFAOYSA-N 0 0 314.345 0.465 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000163492964 527419244 /nfs/dbraw/zinc/41/92/44/527419244.db2.gz QZMMSAFOYSYPJY-CHWSQXEVSA-N 0 0 316.361 0.524 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)NCC1(O)CCCCCC1 ZINC000267183857 527575673 /nfs/dbraw/zinc/57/56/73/527575673.db2.gz WBCNQBBLGFOJKF-UHFFFAOYSA-N 0 0 318.381 0.610 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000195476159 527669481 /nfs/dbraw/zinc/66/94/81/527669481.db2.gz BHBLWJYBQSXHQB-XPUUQOCRSA-N 0 0 320.802 0.185 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCC1 ZINC000176352915 527937560 /nfs/dbraw/zinc/93/75/60/527937560.db2.gz DBIFDDKDMNITAJ-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN CC1(CO)CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000401687996 527998925 /nfs/dbraw/zinc/99/89/25/527998925.db2.gz YHNFNKIDKVGBAR-UHFFFAOYSA-N 0 0 301.346 0.929 10 0 DCAERN CC(C)CNC(=O)[C@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000176566069 528058241 /nfs/dbraw/zinc/05/82/41/528058241.db2.gz BBRNBXFQRWZSOC-WVDJIFEKSA-N 0 0 301.416 0.663 10 0 DCAERN CCC[C@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000155337088 528400924 /nfs/dbraw/zinc/40/09/24/528400924.db2.gz RZMAICYFMKGLEZ-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000131049944 528423920 /nfs/dbraw/zinc/42/39/20/528423920.db2.gz INDSOVJDZLGGMZ-JTQLQIEISA-N 0 0 300.384 0.099 10 0 DCAERN CC(C)n1cc(C[C@@H]2NC(=O)N(CCOCC3CC3)C2=O)nn1 ZINC000328613390 528570549 /nfs/dbraw/zinc/57/05/49/528570549.db2.gz RVSROWPFBYCPEQ-ZDUSSCGKSA-N 0 0 321.381 0.953 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000178053759 528812105 /nfs/dbraw/zinc/81/21/05/528812105.db2.gz IAFFBXIPLPWWRJ-WCQYABFASA-N 0 0 318.439 0.874 10 0 DCAERN CCN1CCN(CC(=O)N2CC[C@H](C)C[C@H](C)C2)C(=O)C1=O ZINC000163188210 529137078 /nfs/dbraw/zinc/13/70/78/529137078.db2.gz BHMMBILEXRXPAM-STQMWFEESA-N 0 0 309.410 0.572 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000182407662 529229569 /nfs/dbraw/zinc/22/95/69/529229569.db2.gz DUULNWOFCZMFBH-ZIAGYGMSSA-N 0 0 320.455 0.274 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178424689 529359926 /nfs/dbraw/zinc/35/99/26/529359926.db2.gz GGANXMMZRZUXBS-PWSUYJOCSA-N 0 0 300.403 0.361 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cscn1 ZINC000120551992 535058134 /nfs/dbraw/zinc/05/81/34/535058134.db2.gz WNSFQGWGXZGLJV-VIFPVBQESA-N 0 0 305.425 0.723 10 0 DCAERN CCCOc1cccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285690788 535287946 /nfs/dbraw/zinc/28/79/46/535287946.db2.gz WMNBASZYNKFORN-KRWDZBQOSA-N 0 0 320.389 0.857 10 0 DCAERN COCCCNC(=O)N(C)[C@@H]1CCN(c2nccnc2OC)C1 ZINC000065269021 545659690 /nfs/dbraw/zinc/65/96/90/545659690.db2.gz FRXRVLPZRFMOOE-GFCCVEGCSA-N 0 0 323.397 0.742 10 0 DCAERN Cn1ncc(NC[C@@H]2CCC(=O)N2)c(Br)c1=O ZINC000074276860 545669496 /nfs/dbraw/zinc/66/94/96/545669496.db2.gz QNADLBXIACUGFL-LURJTMIESA-N 0 0 301.144 0.233 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000121540690 545749841 /nfs/dbraw/zinc/74/98/41/545749841.db2.gz HHJQTIJUKNBMQP-UHFFFAOYSA-N 0 0 302.309 0.977 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3cncnc3)CC2)n1 ZINC000121901948 545750312 /nfs/dbraw/zinc/75/03/12/545750312.db2.gz ZVJUVVSUHFVVJR-UHFFFAOYSA-N 0 0 324.392 0.784 10 0 DCAERN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC1(CCO)CCC1 ZINC000122273736 545750799 /nfs/dbraw/zinc/75/07/99/545750799.db2.gz LHDPNIFGLVBEJG-STQMWFEESA-N 0 0 322.405 0.831 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC1(CCO)CCC1 ZINC000122273536 545751414 /nfs/dbraw/zinc/75/14/14/545751414.db2.gz LHDPNIFGLVBEJG-BETUJISGSA-N 0 0 322.405 0.831 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000126848262 545773597 /nfs/dbraw/zinc/77/35/97/545773597.db2.gz NPGIZXYRXFSFSB-TVQRCGJNSA-N 0 0 310.375 0.520 10 0 DCAERN O=C(CCC1CCOCC1)NC[C@@H](O)CN1CCOCC1 ZINC000132974901 545794050 /nfs/dbraw/zinc/79/40/50/545794050.db2.gz GAJYJLOIEMLFKN-CQSZACIVSA-N 0 0 300.399 0.003 10 0 DCAERN COc1cc(CCNC(=O)c2cc(C(N)=O)cn2C)ccc1O ZINC000132876958 545795629 /nfs/dbraw/zinc/79/56/29/545795629.db2.gz RKCFQNZKPZVNFA-UHFFFAOYSA-N 0 0 317.345 0.811 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177936081 545892966 /nfs/dbraw/zinc/89/29/66/545892966.db2.gz XBRMALXAHGHPEE-YPMHNXCESA-N 0 0 304.412 0.079 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cnn(CC2CC2)c1 ZINC000179886337 545899943 /nfs/dbraw/zinc/89/99/43/545899943.db2.gz HVAVYRJOGYISKZ-AWEZNQCLSA-N 0 0 323.397 0.108 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cncnc2)CC1 ZINC000180175866 545901064 /nfs/dbraw/zinc/90/10/64/545901064.db2.gz UQUBLVNNEWLLAV-AWEZNQCLSA-N 0 0 303.410 0.605 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000182480018 545905290 /nfs/dbraw/zinc/90/52/90/545905290.db2.gz HKMWSVYUWUHKAF-RYUDHWBXSA-N 0 0 306.370 0.121 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191546787 545926347 /nfs/dbraw/zinc/92/63/47/545926347.db2.gz IBJUQJIGCGGPII-CYBMUJFWSA-N 0 0 321.425 0.890 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000193184645 545929656 /nfs/dbraw/zinc/92/96/56/545929656.db2.gz HPNJASQHLPLGNW-HZPDHXFCSA-N 0 0 302.374 0.943 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)[C@H]1CCCOC1 ZINC000332763926 546059448 /nfs/dbraw/zinc/05/94/48/546059448.db2.gz ZKWNLQFYHSFPFQ-AJNGGQMLSA-N 0 0 311.426 0.916 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H](C)[C@H]2CCCO2)C1 ZINC000332797649 546061329 /nfs/dbraw/zinc/06/13/29/546061329.db2.gz VUEQSDJNZJOBGX-WHOHXGKFSA-N 0 0 309.370 0.844 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2C[C@@H](C)[C@H](C)C2)nn1 ZINC000332901906 546064854 /nfs/dbraw/zinc/06/48/54/546064854.db2.gz WHCJHGHYBYCCDL-HBJVGIJOSA-N 0 0 323.397 0.662 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000332910586 546065971 /nfs/dbraw/zinc/06/59/71/546065971.db2.gz WWMPKDUEIFVXMO-KBPBESRZSA-N 0 0 307.398 0.388 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)NCC1(N2CCOCC2)CC1 ZINC000333181512 546073678 /nfs/dbraw/zinc/07/36/78/546073678.db2.gz SMCVNMDXGMOBDD-ZIAGYGMSSA-N 0 0 311.426 0.702 10 0 DCAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)[C@@H]2CNC(=O)C2)[C@@H]1O ZINC000333785118 546092167 /nfs/dbraw/zinc/09/21/67/546092167.db2.gz WGMZDECONUTPNH-KOLSJAJHSA-N 0 0 310.375 0.573 10 0 DCAERN CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000347593936 546151549 /nfs/dbraw/zinc/15/15/49/546151549.db2.gz ARSOXWRYNIRJQA-ZIAGYGMSSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000384801024 546216908 /nfs/dbraw/zinc/21/69/08/546216908.db2.gz XZBGLWNBKYVAAT-IJLUTSLNSA-N 0 0 304.412 0.172 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000401886350 546226476 /nfs/dbraw/zinc/22/64/76/546226476.db2.gz KTSJHJWBJRUZJS-GFCCVEGCSA-N 0 0 304.368 0.286 10 0 DCAERN C[C@@H](O)[C@H](C)n1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000530798803 546288298 /nfs/dbraw/zinc/28/82/98/546288298.db2.gz MXRABYPWVINIAC-VHSXEESVSA-N 0 0 315.333 0.454 10 0 DCAERN CO[C@@H]1CN(C(=O)Nc2ccc(F)cn2)C[C@H]1c1cn[nH]n1 ZINC000666644310 546492358 /nfs/dbraw/zinc/49/23/58/546492358.db2.gz FBHFZWQMGCINIT-GXSJLCMTSA-N 0 0 306.301 0.985 10 0 DCAERN O=S1(=O)C[C@H](Oc2cnn(Cc3ccccc3)c2)[C@H](O)C1 ZINC000675060711 547658621 /nfs/dbraw/zinc/65/86/21/547658621.db2.gz MQWWTKOTVRSWRF-KGLIPLIRSA-N 0 0 308.359 0.468 10 0 DCAERN CS(=O)(=O)c1cnn(-c2ncncc2Br)c1 ZINC000725242326 548749037 /nfs/dbraw/zinc/74/90/37/548749037.db2.gz UWSHHSYSCCXPEX-UHFFFAOYSA-N 0 0 303.141 0.828 10 0 DCAERN Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)n1 ZINC000888094804 661162686 /nfs/dbraw/zinc/16/26/86/661162686.db2.gz JZNOAQYMFMLPFU-GHMZBOCLSA-N 0 0 318.381 0.786 10 0 DCAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCC3)C2)C1 ZINC000888098211 661175425 /nfs/dbraw/zinc/17/54/25/661175425.db2.gz HHPPFFBQEJVEIE-SNVBAGLBSA-N 0 0 309.341 0.199 10 0 DCAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(c3ccnc(C4CC4)n3)C2)C1 ZINC000888098353 661177135 /nfs/dbraw/zinc/17/71/35/661177135.db2.gz GKJQQAAFFZZLPY-LLVKDONJSA-N 0 0 315.377 0.137 10 0 DCAERN O=S1(=O)CCC[C@H](NCc2cnn(-c3ccccc3)n2)C1 ZINC000069140568 657555113 /nfs/dbraw/zinc/55/51/13/657555113.db2.gz FIYJQOJDZXFYEY-LBPRGKRZSA-N 0 0 306.391 0.934 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CCOCC(F)(F)F)CCC1 ZINC000721541932 657614571 /nfs/dbraw/zinc/61/45/71/657614571.db2.gz LDTZKFGAIMVWJF-UHFFFAOYSA-N 0 0 318.317 0.283 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000076212680 657641551 /nfs/dbraw/zinc/64/15/51/657641551.db2.gz INPUZHUDXJCTGX-NSHDSACASA-N 0 0 304.412 0.136 10 0 DCAERN COC(=O)c1nc(C(=O)N[C@@H]2COCC[C@H]2OC)cs1 ZINC000724895489 657736955 /nfs/dbraw/zinc/73/69/55/657736955.db2.gz XBSRUZKWPVHDMU-VXNVDRBHSA-N 0 0 300.336 0.463 10 0 DCAERN Cc1occc1COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000255192938 658054193 /nfs/dbraw/zinc/05/41/93/658054193.db2.gz OLPKPEYHHKQKEY-PLNGDYQASA-N 0 0 304.302 0.742 10 0 DCAERN [NH3+]C[C@@H]1CCN1c1nc[n-]c(=O)c1I ZINC000757145024 658520643 /nfs/dbraw/zinc/52/06/43/658520643.db2.gz KJUHGQHHTCASAH-YFKPBYRVSA-N 0 0 306.107 0.324 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2c3c(nn2C)CCC3)C1=O ZINC000888076255 658710402 /nfs/dbraw/zinc/71/04/02/658710402.db2.gz PDDJDIYANTYAKG-ZDUSSCGKSA-N 0 0 320.393 0.875 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(CC(=O)NC2CCCC2)C1 ZINC000888077147 658717174 /nfs/dbraw/zinc/71/71/74/658717174.db2.gz NHQBXQBSMIYGRQ-MRXNPFEDSA-N 0 0 321.425 0.243 10 0 DCAERN COC(=O)c1nc(C(=O)N[C@H](C)CC[S@](C)=O)cs1 ZINC000721434686 658739281 /nfs/dbraw/zinc/73/92/81/658739281.db2.gz MFFQSMHHXFWNTA-XJZHNMMOSA-N 0 0 304.393 0.817 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC2(CC1)OCCO2 ZINC000074752385 658739830 /nfs/dbraw/zinc/73/98/30/658739830.db2.gz ILRMKIGBLDAQGK-UHFFFAOYSA-N 0 0 305.334 0.177 10 0 DCAERN O=C(CCCn1cccn1)NCCCN1CCCS1(=O)=O ZINC000725760151 658762409 /nfs/dbraw/zinc/76/24/09/658762409.db2.gz ZMDSHLDCTXOVIT-UHFFFAOYSA-N 0 0 314.411 0.205 10 0 DCAERN COC(=O)c1nc(C(=O)NCC[C@H](C)[S@@](C)=O)cs1 ZINC000721435753 658831630 /nfs/dbraw/zinc/83/16/30/658831630.db2.gz QRRKSXCWTKMFBS-ZDVLTJLQSA-N 0 0 304.393 0.817 10 0 DCAERN O=C(CNS(=O)(=O)/C=C\c1ccccc1)N1CCOCC1 ZINC000255365310 658845455 /nfs/dbraw/zinc/84/54/55/658845455.db2.gz MHNJVLKSEYLYPH-WDZFZDKYSA-N 0 0 310.375 0.436 10 0 DCAERN COC(=O)C[C@@H]1CCCN1Cn1nc(CO)n(C)c1=S ZINC000178773145 658849247 /nfs/dbraw/zinc/84/92/47/658849247.db2.gz OCTUZIICYKHRCO-VIFPVBQESA-N 0 0 300.384 0.428 10 0 DCAERN O=c1c2ccccc2nnn1CN1CCO[C@@]2(CCOC2)C1 ZINC000184271840 659217646 /nfs/dbraw/zinc/21/76/46/659217646.db2.gz YXPWEEIONZTHFE-HNNXBMFYSA-N 0 0 302.334 0.240 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCN(Cc3cnc(C)s3)CC2)C1 ZINC000189130158 659356705 /nfs/dbraw/zinc/35/67/05/659356705.db2.gz KGZHWJKFKWYUJG-ZDUSSCGKSA-N 0 0 324.450 0.774 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000194075866 659476997 /nfs/dbraw/zinc/47/69/97/659476997.db2.gz NEFUBMHKNNSEMA-SCSAIBSYSA-N 0 0 322.268 0.522 10 0 DCAERN O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC1(CO)CC1 ZINC000194829886 659518083 /nfs/dbraw/zinc/51/80/83/659518083.db2.gz KWFUSABYZZJBAS-UHFFFAOYSA-N 0 0 305.359 0.326 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)Nc2cnn(C)c2Cl)O1 ZINC000892966896 659598946 /nfs/dbraw/zinc/59/89/46/659598946.db2.gz ZXHXKYSZWASPGV-BDAKNGLRSA-N 0 0 300.746 0.648 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C1 ZINC000124099702 659646071 /nfs/dbraw/zinc/64/60/71/659646071.db2.gz NWMXSIUXPDXMMA-SWLSCSKDSA-N 0 0 310.398 0.511 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NNC(=O)c1ccccc1 ZINC000182221214 665754100 /nfs/dbraw/zinc/75/41/00/665754100.db2.gz OARWLAXCPUSACN-DGCLKSJQSA-N 0 0 318.377 0.033 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CN3CC(=O)N(C)C3=O)C2)no1 ZINC000182278046 665764072 /nfs/dbraw/zinc/76/40/72/665764072.db2.gz LVAPUQXKRZJJFN-NSHDSACASA-N 0 0 307.354 0.484 10 0 DCAERN O=S1(=O)CCN[C@H](Cc2nc(Cc3ccccc3)no2)C1 ZINC000126117073 661437326 /nfs/dbraw/zinc/43/73/26/661437326.db2.gz SUPZWEPBBUBLBF-GFCCVEGCSA-N 0 0 307.375 0.590 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCC(=O)OCC2CC2)cn1 ZINC000726168202 661652545 /nfs/dbraw/zinc/65/25/45/661652545.db2.gz KWOZNKWHMHBRRP-UHFFFAOYSA-N 0 0 307.350 0.890 10 0 DCAERN O=C(NCC[C@H]1CNCCS1(=O)=O)NCc1ccccc1 ZINC000721763389 661895946 /nfs/dbraw/zinc/89/59/46/661895946.db2.gz SDQXDBJTMZTCJV-ZDUSSCGKSA-N 0 0 311.407 0.263 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2cccnc2)cc1 ZINC000160227368 662104474 /nfs/dbraw/zinc/10/44/74/662104474.db2.gz DXIUDCHGOVXGSZ-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000721831651 662127460 /nfs/dbraw/zinc/12/74/60/662127460.db2.gz GXILKCKKEOASST-LLVKDONJSA-N 0 0 301.412 0.818 10 0 DCAERN C[C@@H](C(=O)NCc1cccnc1)n1nc(-n2cccn2)ccc1=O ZINC000070655899 665873784 /nfs/dbraw/zinc/87/37/84/665873784.db2.gz IUJAAFQAXSJEQE-LBPRGKRZSA-N 0 0 324.344 0.701 10 0 DCAERN O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729294041 662764029 /nfs/dbraw/zinc/76/40/29/662764029.db2.gz CPVPAPOLQWAAGV-ZNMIVQPWSA-N 0 0 315.410 0.770 10 0 DCAERN CC(C)[C@H](OC(=O)COc1ccccc1C(N)=O)C(=O)N(C)C ZINC000729701187 662907754 /nfs/dbraw/zinc/90/77/54/662907754.db2.gz YMTGOQLJFFJMBW-AWEZNQCLSA-N 0 0 322.361 0.820 10 0 DCAERN CC(C)[C@H](OC(=O)C1CCC(NC(N)=O)CC1)C(=O)N(C)C ZINC000729705526 662907865 /nfs/dbraw/zinc/90/78/65/662907865.db2.gz NSQCGLKCCAEXIY-MCIGGMRASA-N 0 0 313.398 0.870 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(NCC(N)=O)cc1)C(=O)N(C)C ZINC000729704063 662907866 /nfs/dbraw/zinc/90/78/66/662907866.db2.gz HQVMZIQARQJWTJ-AWEZNQCLSA-N 0 0 321.377 0.853 10 0 DCAERN CC(C)CNC(=O)[C@@H](C)OC(=O)COc1ccccc1C(N)=O ZINC000729928217 662914498 /nfs/dbraw/zinc/91/44/98/662914498.db2.gz BDCYNQLKSJLRTI-LLVKDONJSA-N 0 0 322.361 0.868 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@@H](O)COCC2CC2)[nH]1 ZINC000436179705 663432331 /nfs/dbraw/zinc/43/23/31/663432331.db2.gz AFMACMTVGDGDAQ-LLVKDONJSA-N 0 0 304.350 0.784 10 0 DCAERN C[C@](O)(CC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccccc1 ZINC000909176424 663783817 /nfs/dbraw/zinc/78/38/17/663783817.db2.gz ZABWGGSHZBFOAE-SRABZTEZSA-N 0 0 315.373 0.971 10 0 DCAERN CCO[C@]1(C(=O)NCCN=S2(=O)CCCC2)CCOC1 ZINC000912042785 664137712 /nfs/dbraw/zinc/13/77/12/664137712.db2.gz VTVFMLRCIGMNQM-CYBMUJFWSA-N 0 0 304.412 0.560 10 0 DCAERN Cc1ccc(C(=O)N2CCOC[C@H]2CO)cc1S(C)(=O)=O ZINC000912422345 664174428 /nfs/dbraw/zinc/17/44/28/664174428.db2.gz OYKAYBHODPUSOC-GFCCVEGCSA-N 0 0 313.375 0.232 10 0 DCAERN CN1C[C@@H](C(=O)N2CCOC[C@@H]2CO)c2ccccc2C1=O ZINC000912426569 664174897 /nfs/dbraw/zinc/17/48/97/664174897.db2.gz ZAESYDFBRXJFCL-SMDDNHRTSA-N 0 0 304.346 0.076 10 0 DCAERN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCOC[C@H]1CO ZINC000912428288 664175462 /nfs/dbraw/zinc/17/54/62/664175462.db2.gz WEYBTAJXCXKTRZ-NWDGAFQWSA-N 0 0 322.336 0.398 10 0 DCAERN O=C(CN1CCOC1=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000912937176 664246987 /nfs/dbraw/zinc/24/69/87/664246987.db2.gz GCYSDNDBRHGGOP-NSHDSACASA-N 0 0 305.338 0.381 10 0 DCAERN Cc1c[nH]c(CNC(=O)[C@@H]2COCCN2C(=O)OC(C)(C)C)n1 ZINC000913215641 664291117 /nfs/dbraw/zinc/29/11/17/664291117.db2.gz SAUJYNCTZHOEPT-NSHDSACASA-N 0 0 324.381 0.970 10 0 DCAERN CC(=O)NCCCNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000055220856 664367591 /nfs/dbraw/zinc/36/75/91/664367591.db2.gz PSOZTNIFTRCPNW-UHFFFAOYSA-N 0 0 308.791 0.186 10 0 DCAERN COCCNC(=O)CCn1c2ccccc2nc(N(C)C)c1=O ZINC000222865845 664392386 /nfs/dbraw/zinc/39/23/86/664392386.db2.gz HIXXTUIUZQNUBD-UHFFFAOYSA-N 0 0 318.377 0.615 10 0 DCAERN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCC1(CO)CC1)O2 ZINC000223223253 664404544 /nfs/dbraw/zinc/40/45/44/664404544.db2.gz LYTIAFWZLJIIQM-OAHLLOKOSA-N 0 0 304.346 0.973 10 0 DCAERN C[NH+](C)CC1(CNC(=O)c2nccnc2C(=O)[O-])CCOCC1 ZINC000223579700 664416438 /nfs/dbraw/zinc/41/64/38/664416438.db2.gz ACIPKCIXJHJKNW-UHFFFAOYSA-N 0 0 322.365 0.263 10 0 DCAERN CC(C)S(=O)(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223620558 664417971 /nfs/dbraw/zinc/41/79/71/664417971.db2.gz FCHPTCLYLMMGAC-UHFFFAOYSA-N 0 0 320.455 0.443 10 0 DCAERN Cc1c(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)nn2c1OCC2 ZINC000223831270 664423886 /nfs/dbraw/zinc/42/38/86/664423886.db2.gz OTQTZLYVMFJFFF-LBPRGKRZSA-N 0 0 320.393 0.961 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)c2nn3c(c2C)OCC3)C1 ZINC000223835163 664424011 /nfs/dbraw/zinc/42/40/11/664424011.db2.gz FMMDZRSCPLPRLR-NSHDSACASA-N 0 0 307.350 0.999 10 0 DCAERN O=C(c1nn2c(c1F)OCC2)N1CCN(c2ncccn2)CC1 ZINC000223849611 664425162 /nfs/dbraw/zinc/42/51/62/664425162.db2.gz VLATUXGKRBANAK-UHFFFAOYSA-N 0 0 318.312 0.167 10 0 DCAERN CON(C)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000046331715 664502394 /nfs/dbraw/zinc/50/23/94/664502394.db2.gz NDWWPGUJITVWMQ-UHFFFAOYSA-N 0 0 315.289 0.722 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000168987610 664534948 /nfs/dbraw/zinc/53/49/48/664534948.db2.gz ZUBXNPGTXVVKJK-WUOSCTTQSA-N 0 0 311.359 0.595 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000171266659 664606376 /nfs/dbraw/zinc/60/63/76/664606376.db2.gz PCTYKWIUZSFHRO-STQMWFEESA-N 0 0 312.366 0.897 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(c3ccc(N)nc3)CC2)n1 ZINC000171879060 664613587 /nfs/dbraw/zinc/61/35/87/664613587.db2.gz MPUDDSYSSNRQDL-UHFFFAOYSA-N 0 0 324.392 0.976 10 0 DCAERN O[C@@H](CN1CCN(CN2CCOC2=S)CC1)c1ccccc1 ZINC000173361370 664628597 /nfs/dbraw/zinc/62/85/97/664628597.db2.gz ATMANYNRNIFAMC-HNNXBMFYSA-N 0 0 321.446 0.912 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N[C@@H](C)C(C)C ZINC000730305474 664681310 /nfs/dbraw/zinc/68/13/10/664681310.db2.gz NLMLOYVKYLMOFE-ONGXEEELSA-N 0 0 302.396 0.612 10 0 DCAERN C=CCNC(=O)NC(=O)COC(=O)c1ccccc1OCCO ZINC000064158990 664692103 /nfs/dbraw/zinc/69/21/03/664692103.db2.gz IAZWDEXLXTVAQC-UHFFFAOYSA-N 0 0 322.317 0.226 10 0 DCAERN C[C@@H]1CN(Cn2cc(Br)cn2)CCS1(=O)=O ZINC000151571500 664701703 /nfs/dbraw/zinc/70/17/03/664701703.db2.gz RUUIGNCLDYEPJN-MRVPVSSYSA-N 0 0 308.201 0.722 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1csc(-c2ccccn2)n1 ZINC000152204079 664740146 /nfs/dbraw/zinc/74/01/46/664740146.db2.gz VQYVHTNCKLKEHW-QMMMGPOBSA-N 0 0 316.342 0.740 10 0 DCAERN CCC(=O)N1CCCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000741426765 664842806 /nfs/dbraw/zinc/84/28/06/664842806.db2.gz VVXLSKFLPCJPAC-FQEVSTJZSA-N 0 0 303.428 0.409 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC1CCC1 ZINC000731248963 664850438 /nfs/dbraw/zinc/85/04/38/664850438.db2.gz RAWZRUKIJOERGD-LLVKDONJSA-N 0 0 300.380 0.367 10 0 DCAERN COc1cccc([C@H](O)C(=O)NCCCN2CCCC2=O)c1 ZINC000154138309 665083019 /nfs/dbraw/zinc/08/30/19/665083019.db2.gz SCTAYMKUUBNOBZ-HNNXBMFYSA-N 0 0 306.362 0.857 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)c1ccccc1F ZINC000175579433 665329235 /nfs/dbraw/zinc/32/92/35/665329235.db2.gz UDRGZMJORYXAJF-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN C[C@@H](NC(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000068115841 665398212 /nfs/dbraw/zinc/39/82/12/665398212.db2.gz JFPLMLIEJRWJFC-LDYMZIIASA-N 0 0 316.354 0.770 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ncc(Cl)n1C ZINC000183226313 666005680 /nfs/dbraw/zinc/00/56/80/666005680.db2.gz PCZURRWUBXUDMZ-VIFPVBQESA-N 0 0 316.814 0.953 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)NN=c1cc(Cl)[nH]c(N)n1 ZINC000183530106 666063658 /nfs/dbraw/zinc/06/36/58/666063658.db2.gz OYFGNNOFZUBBJV-LURJTMIESA-N 0 0 324.728 0.567 10 0 DCAERN Cn1ccc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000183967326 666161177 /nfs/dbraw/zinc/16/11/77/666161177.db2.gz QNSWCEVELZFPLU-KGLIPLIRSA-N 0 0 319.361 0.907 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CCCO)Cc1ccccn1 ZINC000358340992 666235488 /nfs/dbraw/zinc/23/54/88/666235488.db2.gz SEXSROBCMDJCNT-CQSZACIVSA-N 0 0 323.418 0.714 10 0 DCAERN Cc1csc(=O)n1CCC(=O)O[C@@H](C)CCS(C)(=O)=O ZINC000185724234 666554317 /nfs/dbraw/zinc/55/43/17/666554317.db2.gz FXYPQBCHXOOOCI-JTQLQIEISA-N 0 0 321.420 0.975 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)NCC2CC2)C1 ZINC000701004466 666795528 /nfs/dbraw/zinc/79/55/28/666795528.db2.gz SXSPRRBBZYAEQZ-NEPJUHHUSA-N 0 0 313.398 0.923 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)NCC[S@](=O)CC)CC1=O ZINC000733963646 666832723 /nfs/dbraw/zinc/83/27/23/666832723.db2.gz XMQOPDCMDWMXNZ-PRWKNARSSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccnc1OCCOC ZINC000733882885 666823834 /nfs/dbraw/zinc/82/38/34/666823834.db2.gz QWRWLSGPLSUMMR-FQEVSTJZSA-N 0 0 300.380 0.605 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000733879426 666823876 /nfs/dbraw/zinc/82/38/76/666823876.db2.gz NNXJXDWJHMQLRP-HXUWFJFHSA-N 0 0 300.380 0.917 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000733893501 666827111 /nfs/dbraw/zinc/82/71/11/666827111.db2.gz ZMVVRQYZKHZSDW-OAQYLSRUSA-N 0 0 307.379 0.225 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NCC[S@](=O)CC ZINC000733963686 666832792 /nfs/dbraw/zinc/83/27/92/666832792.db2.gz HCLNZNBPAJAUIS-APBUJDDRSA-N 0 0 306.453 0.573 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000733965315 666832944 /nfs/dbraw/zinc/83/29/44/666832944.db2.gz XVLGXABUGLYGCC-OAQYLSRUSA-N 0 0 306.391 0.981 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000735109401 666947354 /nfs/dbraw/zinc/94/73/54/666947354.db2.gz IAENBZQBXGZBEF-OAQYLSRUSA-N 0 0 317.455 0.655 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000735095977 666951745 /nfs/dbraw/zinc/95/17/45/666951745.db2.gz MBRNGIXCFZAJIM-SBKAZYGRSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCN(C)CC(F)(F)F ZINC000735100987 666952311 /nfs/dbraw/zinc/95/23/11/666952311.db2.gz OGXDJUSNQWOCIC-IBGZPJMESA-N 0 0 303.350 0.548 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000735200342 666962984 /nfs/dbraw/zinc/96/29/84/666962984.db2.gz POJIWKUCXZIOLI-NRFANRHFSA-N 0 0 322.308 0.927 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[nH]n1 ZINC000702816710 666998782 /nfs/dbraw/zinc/99/87/82/666998782.db2.gz WUVROJIVMGFUEC-CMPLNLGQSA-N 0 0 324.381 0.676 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC000702817677 666999917 /nfs/dbraw/zinc/99/99/17/666999917.db2.gz UCLHJVDZWRLWIQ-SDDRHHMPSA-N 0 0 314.382 0.509 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cn2cncc2C)cn1 ZINC000862053554 667013878 /nfs/dbraw/zinc/01/38/78/667013878.db2.gz WDXYDCQUXWARRH-UONOGXRCSA-N 0 0 319.365 0.371 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC2(C1)CCCO2 ZINC000702909842 667017853 /nfs/dbraw/zinc/01/78/53/667017853.db2.gz NPKRFYVXROZIDT-UHFFFAOYSA-N 0 0 301.144 0.583 10 0 DCAERN C[C@@H]1CN(CN2C(=O)C[C@H]2c2ccccc2)C[C@@H](C(N)=O)O1 ZINC000120179149 667275156 /nfs/dbraw/zinc/27/51/56/667275156.db2.gz RIRHYDRCQIVIHY-XBFCOCLRSA-N 0 0 303.362 0.492 10 0 DCAERN COC(=O)[C@H](C)CN(Cn1nc(CO)n(C)c1=S)C1CC1 ZINC000120447034 667315632 /nfs/dbraw/zinc/31/56/32/667315632.db2.gz XRBPOBIIPIOPHS-SECBINFHSA-N 0 0 314.411 0.674 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(Br)cnc1F ZINC000706733857 667422641 /nfs/dbraw/zinc/42/26/41/667422641.db2.gz LTXZQRMAIUPWMY-BDAKNGLRSA-N 0 0 319.130 0.863 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCNC(=O)CC2(C)C)cn1C ZINC000708143479 667442027 /nfs/dbraw/zinc/44/20/27/667442027.db2.gz APUGLQPIQVBEOI-UHFFFAOYSA-N 0 0 300.384 0.018 10 0 DCAERN C[C@H](O)[C@H](O)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000717319357 667556487 /nfs/dbraw/zinc/55/64/87/667556487.db2.gz CMYQZBCIVSBEDL-GZMMTYOYSA-N 0 0 307.799 0.575 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000739762163 667717535 /nfs/dbraw/zinc/71/75/35/667717535.db2.gz JVYUWRCIEWKJNC-RKDXNWHRSA-N 0 0 312.313 0.698 10 0 DCAERN CCOC(=O)CN(Cn1nc(C(=O)OC)ccc1=O)C1CC1 ZINC000739850018 667721362 /nfs/dbraw/zinc/72/13/62/667721362.db2.gz DZKHIOZTXYTEHV-UHFFFAOYSA-N 0 0 309.322 0.015 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(Cc3ncc(Cl)n3C)C[C@@H]21 ZINC000886045030 667726706 /nfs/dbraw/zinc/72/67/06/667726706.db2.gz XDTIZOZGQUBADE-RYUDHWBXSA-N 0 0 312.801 0.895 10 0 DCAERN O=C([C@@H]1CCCO[C@H]1c1cn[nH]c1)N1CC(=O)N(CC2CC2)C1 ZINC000886077530 667729086 /nfs/dbraw/zinc/72/90/86/667729086.db2.gz FWIYEPSCNYIMHB-HIFRSBDPSA-N 0 0 318.377 0.916 10 0 DCAERN O=C(c1c[nH]nc1C1CCOCC1)N1CCN2CCOC[C@@H]2C1 ZINC000886074571 667729220 /nfs/dbraw/zinc/72/92/20/667729220.db2.gz CWCNJSMHXBQWTI-ZDUSSCGKSA-N 0 0 320.393 0.460 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@](O)(Cc3nncn3C)C2)co1 ZINC000886085055 667730043 /nfs/dbraw/zinc/73/00/43/667730043.db2.gz XVYGKNWDTZKUEN-OAHLLOKOSA-N 0 0 304.350 0.926 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CC(c2cc(CO)on2)C1 ZINC000886086597 667730886 /nfs/dbraw/zinc/73/08/86/667730886.db2.gz XKSAGVRXVISZCC-HNNXBMFYSA-N 0 0 316.313 0.933 10 0 DCAERN Cc1ccc(F)c(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)c1 ZINC000886093925 667731365 /nfs/dbraw/zinc/73/13/65/667731365.db2.gz KKJGUZHPPJXALA-QGZVFWFLSA-N 0 0 321.396 0.896 10 0 DCAERN Cc1nnc([C@H]2CCCN(C(=O)CN3CCOCC3)[C@H]2C)o1 ZINC000886097389 667732256 /nfs/dbraw/zinc/73/22/56/667732256.db2.gz YAJMLONYWQXYAH-AAEUAGOBSA-N 0 0 308.382 0.805 10 0 DCAERN COc1nsc(CNC[C@@H](O)[C@@H](C)O)c1Br ZINC000717389241 667750445 /nfs/dbraw/zinc/75/04/45/667750445.db2.gz VJZKBFLYEKHGCA-PHDIDXHHSA-N 0 0 311.201 0.746 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000741417685 667770426 /nfs/dbraw/zinc/77/04/26/667770426.db2.gz MDGDLIZKBCBJQP-GIPWTMENSA-N 0 0 304.412 0.692 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000741421956 667770944 /nfs/dbraw/zinc/77/09/44/667770944.db2.gz SELJFABNDBKRQS-WSVYEEACSA-N 0 0 316.423 0.740 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)Cc1ccccc1Br ZINC000717416703 667789725 /nfs/dbraw/zinc/78/97/25/667789725.db2.gz ITRNDKDBDNXRHP-LDYMZIIASA-N 0 0 302.168 0.850 10 0 DCAERN O=C(COc1ccc(CO)cc1)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886999231 667831222 /nfs/dbraw/zinc/83/12/22/667831222.db2.gz NAMNTFQUBXRGQO-HUUCEWRRSA-N 0 0 321.373 0.604 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn2ncccc12 ZINC000887005678 667832729 /nfs/dbraw/zinc/83/27/29/667832729.db2.gz IXEMCLCQMMXWFO-CHWSQXEVSA-N 0 0 302.334 0.389 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000187297953 668250641 /nfs/dbraw/zinc/25/06/41/668250641.db2.gz JCJOTYLYSJZRKK-SWLSCSKDSA-N 0 0 308.378 0.254 10 0 DCAERN COCCc1nnc(SCc2nsc(N(C)C)n2)n1N ZINC000125594618 668373242 /nfs/dbraw/zinc/37/32/42/668373242.db2.gz UNSMAWXPBZVUGN-UHFFFAOYSA-N 0 0 315.428 0.391 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(Cl)cc1 ZINC000126471512 668600881 /nfs/dbraw/zinc/60/08/81/668600881.db2.gz XYCDPKRPTDSLRN-LBPRGKRZSA-N 0 0 316.810 0.733 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCCc1ccccc1 ZINC000126554336 668622618 /nfs/dbraw/zinc/62/26/18/668622618.db2.gz VVOSMDBPRJMYHL-CQSZACIVSA-N 0 0 310.419 0.512 10 0 DCAERN COc1cc(F)ccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126697781 668645569 /nfs/dbraw/zinc/64/55/69/668645569.db2.gz KYJMBFAUAADSDA-SNVBAGLBSA-N 0 0 316.354 0.550 10 0 DCAERN C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126731130 668652249 /nfs/dbraw/zinc/65/22/49/668652249.db2.gz TZWVSBICXJUHJU-WCQYABFASA-N 0 0 302.440 0.848 10 0 DCAERN CCn1ncc2c1CCC[C@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000934074571 669565187 /nfs/dbraw/zinc/56/51/87/669565187.db2.gz YHGIXJZDGAVHAR-MWLCHTKSSA-N 0 0 304.350 0.449 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCc1cncs1 ZINC000129976897 669576716 /nfs/dbraw/zinc/57/67/16/669576716.db2.gz GCYKJAHKRBMMCV-UHFFFAOYSA-N 0 0 317.326 0.890 10 0 DCAERN CC1(C)CO[C@@H](CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000717151119 669744635 /nfs/dbraw/zinc/74/46/35/669744635.db2.gz SBXDEAJOIJSUSE-QWRGUYRKSA-N 0 0 304.412 0.471 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)N(C)C1 ZINC000794037932 669768792 /nfs/dbraw/zinc/76/87/92/669768792.db2.gz ZWOKPZVIIZPYLT-KBPBESRZSA-N 0 0 315.377 0.603 10 0 DCAERN Cn1ncc2c1nnn(C[C@@H](O)c1cc(F)ccc1F)c2=O ZINC000133052180 669774969 /nfs/dbraw/zinc/77/49/69/669774969.db2.gz CWTSMFPITVLYBH-LLVKDONJSA-N 0 0 307.260 0.537 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cccnc2Cl)CCS1(=O)=O ZINC000155499857 669833148 /nfs/dbraw/zinc/83/31/48/669833148.db2.gz XQHNLXUMVFDDEO-VIFPVBQESA-N 0 0 317.798 0.792 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1cccc(F)c1 ZINC000047614310 669929747 /nfs/dbraw/zinc/92/97/47/669929747.db2.gz SRCZEDIKCDAVLB-UHFFFAOYSA-N 0 0 315.348 0.127 10 0 DCAERN O=C(OCCn1cnc([N+](=O)[O-])n1)c1cn2ccnc2s1 ZINC000190824143 669934003 /nfs/dbraw/zinc/93/40/03/669934003.db2.gz XSHCMOOTTVAGCA-UHFFFAOYSA-N 0 0 308.279 0.753 10 0 DCAERN NC(=O)CNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000078476773 670048011 /nfs/dbraw/zinc/04/80/11/670048011.db2.gz QVZJLFGKRPVHBU-UHFFFAOYSA-N 0 0 311.341 0.685 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)CSC(C)(C)C)CC1 ZINC000078492323 670056298 /nfs/dbraw/zinc/05/62/98/670056298.db2.gz BGTJRHFDYSVTDL-UHFFFAOYSA-N 0 0 301.456 0.845 10 0 DCAERN COCCCOC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000078755918 670113292 /nfs/dbraw/zinc/11/32/92/670113292.db2.gz LYWDACIDTAESDR-OCCSQVGLSA-N 0 0 309.366 0.909 10 0 DCAERN CCn1cc(OC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cn1 ZINC000192009916 670117868 /nfs/dbraw/zinc/11/78/68/670117868.db2.gz LEIGJBMWCCBHHU-UHFFFAOYSA-N 0 0 314.301 0.512 10 0 DCAERN CCn1cc([C@@H]2CN(CN3CC(=O)N(CC)C3=O)CCO2)cn1 ZINC000189857188 670168745 /nfs/dbraw/zinc/16/87/45/670168745.db2.gz RYCZYAGGZFYGDP-ZDUSSCGKSA-N 0 0 321.381 0.518 10 0 DCAERN Cn1cc(CN2CC[C@](C)(C(N)=O)C2)c(Br)n1 ZINC000713862761 670170807 /nfs/dbraw/zinc/17/08/07/670170807.db2.gz ZPMDHOVZAJCVJH-NSHDSACASA-N 0 0 301.188 0.880 10 0 DCAERN Cn1cc(CN2CCCNS2(=O)=O)c(Br)n1 ZINC000713861609 670170904 /nfs/dbraw/zinc/17/09/04/670170904.db2.gz VBLDVXLEDKLCCS-UHFFFAOYSA-N 0 0 309.189 0.223 10 0 DCAERN C[C@@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000079174508 670179988 /nfs/dbraw/zinc/17/99/88/670179988.db2.gz VRTPQUXMCOJOEX-GHMZBOCLSA-N 0 0 318.329 0.658 10 0 DCAERN Cc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c(Cl)c1 ZINC000714257708 670182942 /nfs/dbraw/zinc/18/29/42/670182942.db2.gz LJHTVMNZXRZWTN-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN CCS(=O)(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C ZINC000715735929 670220767 /nfs/dbraw/zinc/22/07/67/670220767.db2.gz ZPKBPANHPNSSHN-UHFFFAOYSA-N 0 0 309.384 0.543 10 0 DCAERN CCCn1cc([C@@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917866 670225878 /nfs/dbraw/zinc/22/58/78/670225878.db2.gz BZCRROLROYFYBB-MNOVXSKESA-N 0 0 301.416 0.373 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)NC[C@H]1CCCC[C@H]1O ZINC000077159611 670347496 /nfs/dbraw/zinc/34/74/96/670347496.db2.gz PEJYFURDWNTQGE-RKDXNWHRSA-N 0 0 312.288 0.942 10 0 DCAERN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CNC(=O)C1 ZINC000194780956 670456216 /nfs/dbraw/zinc/45/62/16/670456216.db2.gz RNDOEQWAAPLVIQ-GFCCVEGCSA-N 0 0 301.346 0.566 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1nnnn1C1CC1 ZINC000190639227 670471970 /nfs/dbraw/zinc/47/19/70/670471970.db2.gz DFPWWXLCCLYITD-ZJUUUORDSA-N 0 0 314.415 0.635 10 0 DCAERN Cc1cnn(C[C@H]2CN(CN3C(=O)CC(C)(C)C3=O)CCO2)c1 ZINC000112071445 670539168 /nfs/dbraw/zinc/53/91/68/670539168.db2.gz TYTHAKAWMAXARC-CYBMUJFWSA-N 0 0 320.393 0.635 10 0 DCAERN Cn1nncc1CN1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818189647 670986637 /nfs/dbraw/zinc/98/66/37/670986637.db2.gz VOVXSGPIAPQOIZ-HNNXBMFYSA-N 0 0 318.381 0.645 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C(N)=O)C(C)C)c1 ZINC000110306561 671056734 /nfs/dbraw/zinc/05/67/34/671056734.db2.gz JYEVFRVVSYUYKM-IHVVCDCBSA-N 0 0 304.350 0.081 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC000116831957 671126095 /nfs/dbraw/zinc/12/60/95/671126095.db2.gz FACWLFGNARTHBS-NSHDSACASA-N 0 0 304.412 0.486 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000101538717 671772098 /nfs/dbraw/zinc/77/20/98/671772098.db2.gz SIJQTKMVNZIUHG-NSHDSACASA-N 0 0 309.370 0.403 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC000393627822 685264563 /nfs/dbraw/zinc/26/45/63/685264563.db2.gz WTIWSPVPWIAEIR-UHFFFAOYSA-N 0 0 309.413 0.128 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000395199510 685268428 /nfs/dbraw/zinc/26/84/28/685268428.db2.gz UZTYPGYTCXOPON-DTWKUNHWSA-N 0 0 307.803 0.855 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416352976 685278590 /nfs/dbraw/zinc/27/85/90/685278590.db2.gz WAFNLZPHCVQGAF-VHSXEESVSA-N 0 0 307.366 0.363 10 0 DCAERN CN1CCN(S(=O)(=O)CCC(C)(C)C2CC2)[C@@H](CO)C1 ZINC000718013141 685304267 /nfs/dbraw/zinc/30/42/67/685304267.db2.gz DQKPPUSSQOPKDK-CYBMUJFWSA-N 0 0 304.456 0.751 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720311490 685312504 /nfs/dbraw/zinc/31/25/04/685312504.db2.gz YJGNQQJPNQVZOV-RQJHMYQMSA-N 0 0 306.231 0.651 10 0 DCAERN C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720482225 685313439 /nfs/dbraw/zinc/31/34/39/685313439.db2.gz KAOVKXMMABNUDW-HBNTYKKESA-N 0 0 301.412 0.681 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000720485506 685313669 /nfs/dbraw/zinc/31/36/69/685313669.db2.gz VNOJSRLWNKTLHO-WDEREUQCSA-N 0 0 316.452 0.576 10 0 DCAERN CC[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)[O-] ZINC000720479766 685313807 /nfs/dbraw/zinc/31/38/07/685313807.db2.gz BTZSMWQLLGXQMR-HBNTYKKESA-N 0 0 301.412 0.729 10 0 DCAERN Cn1cc(CNC(=O)C2=COCCO2)c(Br)n1 ZINC000720667344 685314376 /nfs/dbraw/zinc/31/43/76/685314376.db2.gz JRSVCUZMMWTXSO-UHFFFAOYSA-N 0 0 302.128 0.687 10 0 DCAERN CO[C@]1(CNCc2nccn2C(C)C)CCS(=O)(=O)C1 ZINC000721146302 685316976 /nfs/dbraw/zinc/31/69/76/685316976.db2.gz LFQQHVMBYZWCBI-ZDUSSCGKSA-N 0 0 301.412 0.757 10 0 DCAERN Cc1ccc(CNC(=O)C[C@@H]2CNCCS2(=O)=O)s1 ZINC000725005468 685319936 /nfs/dbraw/zinc/31/99/36/685319936.db2.gz JIRSDZZDSUHKEB-LLVKDONJSA-N 0 0 302.421 0.449 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1Cl ZINC000038105503 685057876 /nfs/dbraw/zinc/05/78/76/685057876.db2.gz LFIDYIXHDDFZIZ-SECBINFHSA-N 0 0 317.798 0.976 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000091414210 685104209 /nfs/dbraw/zinc/10/42/09/685104209.db2.gz MJFPCDFIIVQXPQ-UHFFFAOYSA-N 0 0 318.377 0.286 10 0 DCAERN Cn1cc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)c(=O)n(C)c1=O ZINC000092851280 685109506 /nfs/dbraw/zinc/10/95/06/685109506.db2.gz KEOJXLQRYSBPDV-QPEQYQDCSA-N 0 0 320.308 0.746 10 0 DCAERN COCCN(CCC(=O)OC)S(=O)(=O)Cc1cc(C)on1 ZINC000096658550 685112519 /nfs/dbraw/zinc/11/25/19/685112519.db2.gz MMUVWKTYPJBTQY-UHFFFAOYSA-N 0 0 320.367 0.324 10 0 DCAERN CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCOC1 ZINC000113315053 685115756 /nfs/dbraw/zinc/11/57/56/685115756.db2.gz ZCXQYKLCXAODEC-VIFPVBQESA-N 0 0 302.327 0.334 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000177948015 685149816 /nfs/dbraw/zinc/14/98/16/685149816.db2.gz GXBZKULNSYQQJA-GHMZBOCLSA-N 0 0 321.381 0.392 10 0 DCAERN CCN1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1=O ZINC000190578725 685153874 /nfs/dbraw/zinc/15/38/74/685153874.db2.gz WBQZLWDGWLUVFG-UHFFFAOYSA-N 0 0 306.322 0.923 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245417125 685156283 /nfs/dbraw/zinc/15/62/83/685156283.db2.gz JKIMWKNJOHLXAI-ZBFHGGJFSA-N 0 0 322.409 0.426 10 0 DCAERN CC[C@H]1CN(CN2C[C@@H](OC)CC2=O)CCN1CC(F)F ZINC000249496549 685181051 /nfs/dbraw/zinc/18/10/51/685181051.db2.gz WGJWDQSHXZYVSK-RYUDHWBXSA-N 0 0 305.369 0.853 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000249616082 685182928 /nfs/dbraw/zinc/18/29/28/685182928.db2.gz PMVXSCIASCXBAZ-MPKXVKKWSA-N 0 0 316.361 0.735 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CSc1nc(N)n[nH]1 ZINC000255889954 685188588 /nfs/dbraw/zinc/18/85/88/685188588.db2.gz GAFFTLIQUCKEAO-ZETCQYMHSA-N 0 0 307.383 0.707 10 0 DCAERN COC(=O)c1sccc1CNCC(C)(C)NS(C)(=O)=O ZINC000378668286 685233964 /nfs/dbraw/zinc/23/39/64/685233964.db2.gz KOOPMWDFTXGEIN-UHFFFAOYSA-N 0 0 320.436 0.952 10 0 DCAERN O=C(NC1COCCOC1)c1cccnc1Br ZINC000379888659 685236103 /nfs/dbraw/zinc/23/61/03/685236103.db2.gz FIAILYJLFQOZAP-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1cc(Cl)ncc1Br ZINC000383223599 685241770 /nfs/dbraw/zinc/24/17/70/685241770.db2.gz ATBSNGYPYPHGHD-JTQLQIEISA-N 0 0 323.574 0.971 10 0 DCAERN COc1ccc(NC(=O)NCCCCS(N)(=O)=O)cc1 ZINC000380518153 1158018509 /nfs/dbraw/zinc/01/85/09/1158018509.db2.gz BGCZTPLGQCTQNL-UHFFFAOYSA-N 0 0 301.368 0.885 10 0 DCAERN Cn1ccc(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000585388036 1158111435 /nfs/dbraw/zinc/11/14/35/1158111435.db2.gz JYNMQVVCGUOFOZ-LBPRGKRZSA-N 0 0 311.407 0.561 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2ccoc2)CC1 ZINC000025236113 1158789624 /nfs/dbraw/zinc/78/96/24/1158789624.db2.gz NWQYNCZTMCKBIG-UHFFFAOYSA-N 0 0 321.377 0.726 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000059009265 1171986405 /nfs/dbraw/zinc/98/64/05/1171986405.db2.gz HYOZEWIRQJLOKM-NSHDSACASA-N 0 0 312.414 0.396 10 0 DCAERN CCOC(=O)CCCNC(=O)CSC[C@H](C)C(=O)OC ZINC000078821220 1174268802 /nfs/dbraw/zinc/26/88/02/1174268802.db2.gz YGWPOEGWSYDSBV-JTQLQIEISA-N 0 0 305.396 0.988 10 0 DCAERN O=C(COc1ccc(Br)cc1)NC[C@@H](O)CO ZINC000090279686 1175390823 /nfs/dbraw/zinc/39/08/23/1175390823.db2.gz CHFPKYHHWARLEF-SECBINFHSA-N 0 0 304.140 0.297 10 0 DCAERN COC[C@@H](O)CCNC(=O)N[C@H](c1nc(C)no1)C(C)C ZINC000133510042 1177528037 /nfs/dbraw/zinc/52/80/37/1177528037.db2.gz ODKIYOBZDDJAKA-QWRGUYRKSA-N 0 0 300.359 0.772 10 0 DCAERN CCOc1n[nH]c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000228770832 1180399391 /nfs/dbraw/zinc/39/93/91/1180399391.db2.gz XMYRRYUSKASMGK-JMCQJSRRSA-N 0 0 311.367 0.596 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)c1cc(Cl)ccc1N ZINC000230979146 1180554660 /nfs/dbraw/zinc/55/46/60/1180554660.db2.gz LTFLWBVSJLHZSY-UHFFFAOYSA-N 0 0 305.787 0.543 10 0 DCAERN Cc1cc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)no1 ZINC000169913920 1183623425 /nfs/dbraw/zinc/62/34/25/1183623425.db2.gz WWOCWWFVXVCEMV-NSHDSACASA-N 0 0 322.365 0.086 10 0 DCAERN Cn1cnc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000170193940 1183645477 /nfs/dbraw/zinc/64/54/77/1183645477.db2.gz AJCZTJJSHYOLAI-UHFFFAOYSA-N 0 0 312.329 0.375 10 0 DCAERN COC(C)(C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000171938497 1183793421 /nfs/dbraw/zinc/79/34/21/1183793421.db2.gz SBCJYOBLNANAAK-UHFFFAOYSA-N 0 0 306.428 0.037 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172163333 1183808858 /nfs/dbraw/zinc/80/88/58/1183808858.db2.gz GWUUNPDXYYMMHH-UTUOFQBUSA-N 0 0 304.412 0.342 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)Cn2nnc3ccccc32)CC1=O ZINC000174536635 1183983894 /nfs/dbraw/zinc/98/38/94/1183983894.db2.gz QQJLZFWESKNDGI-NSHDSACASA-N 0 0 315.377 0.947 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)NCCNC(=O)c1ccco1 ZINC000177814730 1184300874 /nfs/dbraw/zinc/30/08/74/1184300874.db2.gz DIPNJSGQJGQKGK-UHFFFAOYSA-N 0 0 303.322 0.295 10 0 DCAERN CCOC(=O)c1cc(NC(=O)Cn2nnc3ccccc32)[nH]n1 ZINC000183282519 1185192825 /nfs/dbraw/zinc/19/28/25/1185192825.db2.gz AADMDRQWVIZPQI-UHFFFAOYSA-N 0 0 314.305 0.970 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184498552 1187128985 /nfs/dbraw/zinc/12/89/85/1187128985.db2.gz IQDMDQMDAKTONI-UHFFFAOYSA-N 0 0 322.328 0.917 10 0 DCAERN Cc1noc([C@@H](NC(=O)N2CCN(C)C(=O)[C@H]2C)C(C)C)n1 ZINC000187087294 1187437194 /nfs/dbraw/zinc/43/71/94/1187437194.db2.gz WKAMIBVBDSPWIE-KOLCDFICSA-N 0 0 309.370 0.947 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1C#N ZINC000187226811 1187466363 /nfs/dbraw/zinc/46/63/63/1187466363.db2.gz CAFJLUMXJKTYQQ-AFJNRPGYSA-N 0 0 300.314 0.706 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3cc(C)on3)CC2)n1 ZINC000187402661 1187490725 /nfs/dbraw/zinc/49/07/25/1187490725.db2.gz BQQIMYFOGIMZNH-UHFFFAOYSA-N 0 0 321.337 0.470 10 0 DCAERN Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC000193490226 1188046428 /nfs/dbraw/zinc/04/64/28/1188046428.db2.gz HIZQRSNHNJICFB-NSHDSACASA-N 0 0 301.350 0.534 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(OCC)C(C)C ZINC000401386683 1190055200 /nfs/dbraw/zinc/05/52/00/1190055200.db2.gz MPAZECURFMSVMZ-UHFFFAOYSA-N 0 0 305.356 0.937 10 0 DCAERN CCN(CCCO)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307897015 1190385611 /nfs/dbraw/zinc/38/56/11/1190385611.db2.gz RJXAQTVGUDFVLQ-UHFFFAOYSA-N 0 0 300.380 0.517 10 0 DCAERN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CC(CO)C1 ZINC000588507380 747369770 /nfs/dbraw/zinc/36/97/70/747369770.db2.gz VCASAQNTGVUTPS-CLFYSBASSA-N 0 0 324.402 0.418 10 0 DCAERN Cc1nn(C)c(C)c1OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588619590 747557336 /nfs/dbraw/zinc/55/73/36/747557336.db2.gz DCXZOFMBQQLMSL-SREVYHEPSA-N 0 0 318.333 0.053 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2F)C[C@H](C)S1(=O)=O ZINC000401873828 748478487 /nfs/dbraw/zinc/47/84/87/748478487.db2.gz JKTUHSIXVUZSRE-DTORHVGOSA-N 0 0 322.383 0.417 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000400147244 774022561 /nfs/dbraw/zinc/02/25/61/774022561.db2.gz OMEANDRCJZGRMR-VIFPVBQESA-N 0 0 317.798 0.686 10 0 DCAERN COCC(C)(C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307898014 774140650 /nfs/dbraw/zinc/14/06/50/774140650.db2.gz CGLPPRWMJVSHHC-UHFFFAOYSA-N 0 0 300.380 0.827 10 0 DCAERN C[C@H](C(=O)NCCCOCc1ccccc1)N1CCNCC1=O ZINC000706586437 939180019 /nfs/dbraw/zinc/18/00/19/939180019.db2.gz OBDIYWGBWSXRBR-CQSZACIVSA-N 0 0 319.405 0.530 10 0 DCAERN Nc1ncc(S(=O)(=O)NCCCOCc2ccccc2)cn1 ZINC000390148722 949109993 /nfs/dbraw/zinc/10/99/93/949109993.db2.gz KVBJEWLPTZWGPQ-UHFFFAOYSA-N 0 0 322.390 0.774 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000690832424 954678085 /nfs/dbraw/zinc/67/80/85/954678085.db2.gz RTZMQJHEAAGAPW-UTUOFQBUSA-N 0 0 304.412 0.453 10 0 DCAERN C[C@@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)[C@H]1C(=O)[O-] ZINC000690820612 968906266 /nfs/dbraw/zinc/90/62/66/968906266.db2.gz XLJDUCCKLBAYIA-GRYCIOLGSA-N 0 0 304.412 0.453 10 0 DCAERN C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000688506199 976180273 /nfs/dbraw/zinc/18/02/73/976180273.db2.gz APBAMDPXBPXIMK-QMMMGPOBSA-N 0 0 319.408 0.414 10 0 DCAERN C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693013097 976566104 /nfs/dbraw/zinc/56/61/04/976566104.db2.gz ZHUDTZIQSJEYAR-SDDRHHMPSA-N 0 0 304.412 0.453 10 0 DCAERN C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)[NH+]1CCCC1 ZINC000694176932 976676071 /nfs/dbraw/zinc/67/60/71/976676071.db2.gz LGUJWQGAYAWXSI-SECBINFHSA-N 0 0 302.352 0.740 10 0 DCAERN Nc1ncc(S(=O)(=O)NCc2ccc(F)cc2F)cn1 ZINC000051018170 1171746560 /nfs/dbraw/zinc/74/65/60/1171746560.db2.gz KTXIEQYHORCEIX-UHFFFAOYSA-N 0 0 300.290 0.816 10 0 DCAERN C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(N)(=O)=O)CC1 ZINC000078872456 185121346 /nfs/dbraw/zinc/12/13/46/185121346.db2.gz JBSYWKHMDUQJRU-VIFPVBQESA-N 0 0 317.415 0.249 10 0 DCAERN CC[C@@H](NC(=O)N1CCS(=O)(=O)CC1)[C@@H](O)C(F)(F)F ZINC000408396794 529612858 /nfs/dbraw/zinc/61/28/58/529612858.db2.gz QQXNPKAIIBSMFZ-HTQZYQBOSA-N 0 0 318.317 0.128 10 0 DCAERN COC(=O)c1nc(N2CC[C@@H](NS(C)(=O)=O)C2)sc1C ZINC000425237409 536863030 /nfs/dbraw/zinc/86/30/30/536863030.db2.gz SAILTQWSIGLYJH-MRVPVSSYSA-N 0 0 319.408 0.366 10 0 DCAERN Cn1cnn(-c2ccc(NC(=O)NCC3(C)COC3)cc2)c1=O ZINC000092822937 185344395 /nfs/dbraw/zinc/34/43/95/185344395.db2.gz SORBCADSLFCOIY-UHFFFAOYSA-N 0 0 317.349 0.729 10 0 DCAERN C[C@@H](O)CCNC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092823821 185344431 /nfs/dbraw/zinc/34/44/31/185344431.db2.gz YQSNHGWPGSOEGE-SNVBAGLBSA-N 0 0 305.338 0.463 10 0 DCAERN Cc1ccc(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000181442754 199297603 /nfs/dbraw/zinc/29/76/03/199297603.db2.gz SQUGYLVZPHONEP-QWHCGFSZSA-N 0 0 318.416 0.376 10 0 DCAERN CCCCN(CCCO)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000181530591 199311928 /nfs/dbraw/zinc/31/19/28/199311928.db2.gz RXHITJATEQBKTK-UHFFFAOYSA-N 0 0 314.407 0.959 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000120173543 297231878 /nfs/dbraw/zinc/23/18/78/297231878.db2.gz GJEKWIJZQSLREZ-MCIONIFRSA-N 0 0 320.455 0.588 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C)C1 ZINC000117919383 297231998 /nfs/dbraw/zinc/23/19/98/297231998.db2.gz NSHTVWVIIVRHIA-MXWKQRLJSA-N 0 0 305.444 0.699 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(C)C ZINC000178845287 529898197 /nfs/dbraw/zinc/89/81/97/529898197.db2.gz YRHABOQSVQJLAV-ZDUSSCGKSA-N 0 0 305.382 0.577 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1F)C(C)C ZINC000179083336 529895863 /nfs/dbraw/zinc/89/58/63/529895863.db2.gz ABRGHHAJRLAEGB-NSHDSACASA-N 0 0 313.304 0.790 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(C)C ZINC000178845298 529920596 /nfs/dbraw/zinc/92/05/96/529920596.db2.gz YRHABOQSVQJLAV-CYBMUJFWSA-N 0 0 305.382 0.577 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@@H]1COCCN1 ZINC000155452842 282356676 /nfs/dbraw/zinc/35/66/76/282356676.db2.gz OGHVOAHMPNRFHA-LBPRGKRZSA-N 0 0 313.304 0.350 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](O)CC2)[C@H]1c1cccnc1 ZINC000294956334 530044935 /nfs/dbraw/zinc/04/49/35/530044935.db2.gz SGLSLERIUQIFTQ-IJEWVQPXSA-N 0 0 317.389 0.974 10 0 DCAERN CN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182536437 282370050 /nfs/dbraw/zinc/37/00/50/282370050.db2.gz QBQQMOWAGOZQGD-CYBMUJFWSA-N 0 0 320.393 0.989 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000190472105 290752959 /nfs/dbraw/zinc/75/29/59/290752959.db2.gz QEGSGPCNJAIWSF-UHFFFAOYSA-N 0 0 315.439 0.660 10 0 DCAERN C[C@@H](C(=O)N1CCOCC[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000367633786 295738985 /nfs/dbraw/zinc/73/89/85/295738985.db2.gz NLPGUYOTYDFBOP-NEPJUHHUSA-N 0 0 323.393 0.877 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCC1CCOCC1 ZINC000234612293 201906481 /nfs/dbraw/zinc/90/64/81/201906481.db2.gz GAGWGBWBTKLXCX-VXGBXAGGSA-N 0 0 305.396 0.674 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000408452923 290776465 /nfs/dbraw/zinc/77/64/65/290776465.db2.gz ONTWJBXGKPAYQY-NSHDSACASA-N 0 0 315.395 0.695 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)CCC1=O ZINC000286981251 219256216 /nfs/dbraw/zinc/25/62/16/219256216.db2.gz SHEWZSRYYRSWIJ-ZETCQYMHSA-N 0 0 321.761 0.773 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000170898563 197847640 /nfs/dbraw/zinc/84/76/40/197847640.db2.gz ZORCVXTTWFQPPB-PELKAZGASA-N 0 0 319.283 0.610 10 0 DCAERN Cc1ccc(CCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150740068 186061806 /nfs/dbraw/zinc/06/18/06/186061806.db2.gz UHLRMUBMCILREY-UHFFFAOYSA-N 0 0 301.346 0.964 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(C(N)=O)cn2)CC[S@]1=O ZINC000183878239 186226699 /nfs/dbraw/zinc/22/66/99/186226699.db2.gz JLRJPRGSFQNUKB-JOCHJYFZSA-N 0 0 323.418 0.944 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc2nnn(C)c2c1 ZINC000183879475 186227254 /nfs/dbraw/zinc/22/72/54/186227254.db2.gz TWDFOJAJDHLMNU-GFCCVEGCSA-N 0 0 319.390 0.572 10 0 DCAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@@H]1CCCOC1 ZINC000171624644 197954707 /nfs/dbraw/zinc/95/47/07/197954707.db2.gz KCQJDOABAUQAJY-LLVKDONJSA-N 0 0 315.333 0.501 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)c2ccc(F)cc2)c1 ZINC000172233172 198061831 /nfs/dbraw/zinc/06/18/31/198061831.db2.gz XZJYFDXCQKEETD-UHFFFAOYSA-N 0 0 304.325 0.877 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000172316251 198078711 /nfs/dbraw/zinc/07/87/11/198078711.db2.gz SYGFTCYIKAMYNA-WCQYABFASA-N 0 0 310.375 0.140 10 0 DCAERN O=C(NCC1CCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000172448101 198097850 /nfs/dbraw/zinc/09/78/50/198097850.db2.gz LSEQNSKRWIZVQD-UHFFFAOYSA-N 0 0 315.381 0.756 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172538026 198112117 /nfs/dbraw/zinc/11/21/17/198112117.db2.gz KNJGFKAKGRRMIB-JTQLQIEISA-N 0 0 301.350 0.731 10 0 DCAERN C[C@@H](NC(=O)N1CCC(Nc2cccnn2)CC1)C(=O)N(C)C ZINC000172604331 198122631 /nfs/dbraw/zinc/12/26/31/198122631.db2.gz YEDKYBIPKCQWSD-LLVKDONJSA-N 0 0 320.397 0.539 10 0 DCAERN CCN1CCN(C(=O)C2=C(C)Nc3nc(SC)nn3C2)CC1 ZINC000072466280 191173751 /nfs/dbraw/zinc/17/37/51/191173751.db2.gz FMKZQNKIFVXGTB-UHFFFAOYSA-N 0 0 322.438 0.864 10 0 DCAERN CCc1nc2nnc3c(ccn(Cc4cccnc4)c3=O)n2n1 ZINC000072466745 191173946 /nfs/dbraw/zinc/17/39/46/191173946.db2.gz NIAYCBVXZLJRSF-UHFFFAOYSA-N 0 0 307.317 0.840 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CC[C@H](N3CCOCC3)C1)CC2 ZINC000328817771 282841057 /nfs/dbraw/zinc/84/10/57/282841057.db2.gz OBKWCRPPYOOMBX-HIFRSBDPSA-N 0 0 318.421 0.458 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCC(C)(C)O)ncn1 ZINC000173427656 198213550 /nfs/dbraw/zinc/21/35/50/198213550.db2.gz DGTNMYYMFACQEP-LLVKDONJSA-N 0 0 322.413 0.557 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2noc(C)n2)C1 ZINC000173568030 198227962 /nfs/dbraw/zinc/22/79/62/198227962.db2.gz MAQQRWGBNQUQHM-LLVKDONJSA-N 0 0 309.370 0.826 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)[C@@H](C)NS(C)(=O)=O)c2)no1 ZINC000174289300 198315890 /nfs/dbraw/zinc/31/58/90/198315890.db2.gz ZLILXALTNGPZOM-MRVPVSSYSA-N 0 0 324.362 0.921 10 0 DCAERN COC[C@@H](NC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000174628318 198362016 /nfs/dbraw/zinc/36/20/16/198362016.db2.gz RMDMRGGFSDNRJK-GFCCVEGCSA-N 0 0 303.318 0.908 10 0 DCAERN Cn1cnn(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1=O ZINC000182198519 199402313 /nfs/dbraw/zinc/40/23/13/199402313.db2.gz FEKGCZFDJIYLQX-CYBMUJFWSA-N 0 0 308.382 0.532 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCCC[C@H]1CO ZINC000175941468 198528888 /nfs/dbraw/zinc/52/88/88/198528888.db2.gz HQSDOCBFKNHCHO-KBPBESRZSA-N 0 0 320.393 0.662 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC(=O)n1ccnc1 ZINC000073712157 191346149 /nfs/dbraw/zinc/34/61/49/191346149.db2.gz SVPHBJQHSCMRDU-UHFFFAOYSA-N 0 0 311.367 0.194 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000074854044 191373042 /nfs/dbraw/zinc/37/30/42/191373042.db2.gz CIRPSZZUPFQNRY-JSGCOSHPSA-N 0 0 307.398 0.819 10 0 DCAERN NC(=O)NC1(C(=O)NCc2ncc(-c3ccccc3)cn2)CC1 ZINC000183916963 199649325 /nfs/dbraw/zinc/64/93/25/199649325.db2.gz YIAUSZXERXUVKZ-UHFFFAOYSA-N 0 0 311.345 0.961 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000184085938 199671666 /nfs/dbraw/zinc/67/16/66/199671666.db2.gz PAACQWUDTYAERI-VIFPVBQESA-N 0 0 306.288 0.386 10 0 DCAERN Cc1nc(C(=O)NCCNS(C)(=O)=O)c(-c2ccccc2)o1 ZINC000184151260 199680789 /nfs/dbraw/zinc/68/07/89/199680789.db2.gz RFQIOYMYPMLXAB-UHFFFAOYSA-N 0 0 323.374 0.929 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000081050610 192221155 /nfs/dbraw/zinc/22/11/55/192221155.db2.gz YCNGXNSPWHVFIT-LLVKDONJSA-N 0 0 311.304 0.467 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177634921 198754095 /nfs/dbraw/zinc/75/40/95/198754095.db2.gz RFCBXSAYVUKGNH-SNVBAGLBSA-N 0 0 315.333 0.356 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000081441585 192266830 /nfs/dbraw/zinc/26/68/30/192266830.db2.gz AUSMIFNKLKOGCL-SNVBAGLBSA-N 0 0 304.350 0.170 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000177630052 198753489 /nfs/dbraw/zinc/75/34/89/198753489.db2.gz QUYDZMLYLCHAMX-LLVKDONJSA-N 0 0 317.324 0.795 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000178398055 198860684 /nfs/dbraw/zinc/86/06/84/198860684.db2.gz PXNQYHDLVJVGDD-ZDUSSCGKSA-N 0 0 300.380 0.923 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328691944 283264917 /nfs/dbraw/zinc/26/49/17/283264917.db2.gz CAPFRYVFPUXJLD-IJLUTSLNSA-N 0 0 308.382 0.811 10 0 DCAERN NC(=O)c1ccc(NC(=O)CN2CCCCCCC2=O)cn1 ZINC000179099079 198982949 /nfs/dbraw/zinc/98/29/49/198982949.db2.gz MWUFHHOQPCGZIO-UHFFFAOYSA-N 0 0 304.350 0.912 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000179598233 199061147 /nfs/dbraw/zinc/06/11/47/199061147.db2.gz AESZVEPWWGDSLS-LBPRGKRZSA-N 0 0 314.407 0.647 10 0 DCAERN O=C(CNC(=O)c1ccc(Br)cc1)NC1COC1 ZINC000094711007 545727477 /nfs/dbraw/zinc/72/74/77/545727477.db2.gz OHTRGJMKOPHKJF-UHFFFAOYSA-N 0 0 313.151 0.694 10 0 DCAERN O=C(CNC(=O)c1ccc(-c2ncon2)cc1)NCC1CC1 ZINC000179845507 199087668 /nfs/dbraw/zinc/08/76/68/199087668.db2.gz QWSISVQMICIWQQ-UHFFFAOYSA-N 0 0 300.318 0.993 10 0 DCAERN CCc1nnc(CN[C@@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180053480 199112026 /nfs/dbraw/zinc/11/20/26/199112026.db2.gz KJLWLJNEOXACLL-CQSZACIVSA-N 0 0 309.414 0.351 10 0 DCAERN CCc1noc2ncc(C(=O)N3CCOC[C@H]3C(N)=O)cc12 ZINC000180186770 199127962 /nfs/dbraw/zinc/12/79/62/199127962.db2.gz MOSRNSAMKPMXHL-NSHDSACASA-N 0 0 304.306 0.112 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)[nH]1 ZINC000180483940 199165313 /nfs/dbraw/zinc/16/53/13/199165313.db2.gz NASOELGWLFRLRJ-GFCCVEGCSA-N 0 0 316.365 0.988 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H](C)c2cnn(C)c2)C1 ZINC000180822813 199213642 /nfs/dbraw/zinc/21/36/42/199213642.db2.gz GAZISWJDDDTRBY-WCQYABFASA-N 0 0 322.413 0.926 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCCOC2)cc1-n1cnnn1 ZINC000180943967 199231550 /nfs/dbraw/zinc/23/15/50/199231550.db2.gz GEAGPYKGORNDEG-NSHDSACASA-N 0 0 303.322 0.580 10 0 DCAERN COCCN(Cc1nnc(-c2ccccc2)n1C)[C@@H](C)C(N)=O ZINC000155650654 237039849 /nfs/dbraw/zinc/03/98/49/237039849.db2.gz VHESPMNOKRUVBX-LBPRGKRZSA-N 0 0 317.393 0.804 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C ZINC000173123642 237156392 /nfs/dbraw/zinc/15/63/92/237156392.db2.gz GDHCLAPJZVEZKD-SCZZXKLOSA-N 0 0 315.395 0.969 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N1CCC[C@H]1C ZINC000184892639 237292927 /nfs/dbraw/zinc/29/29/27/237292927.db2.gz CWBQKNATXOBGTK-SNVBAGLBSA-N 0 0 300.428 0.898 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCC[C@H]2CCO)C1 ZINC000188463762 237374028 /nfs/dbraw/zinc/37/40/28/237374028.db2.gz ZHXKZEDBMZFVFY-JSGCOSHPSA-N 0 0 300.399 0.984 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCN1CCO ZINC000187724198 200149420 /nfs/dbraw/zinc/14/94/20/200149420.db2.gz XGJRUANTXQPYSW-LLVKDONJSA-N 0 0 313.348 0.902 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2C[C@H](C)O[C@H](CO)C2)cc1C ZINC000187829994 200163095 /nfs/dbraw/zinc/16/30/95/200163095.db2.gz YKJBLCZCUHBONA-ZFWWWQNUSA-N 0 0 320.389 0.641 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000190335081 237429946 /nfs/dbraw/zinc/42/99/46/237429946.db2.gz LNUCNRITAHDUIB-MNOVXSKESA-N 0 0 312.414 0.353 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)CCN1CCO ZINC000188719463 200293158 /nfs/dbraw/zinc/29/31/58/200293158.db2.gz FDNLOJYIRSQVNF-GFCCVEGCSA-N 0 0 316.398 0.654 10 0 DCAERN COc1ccc(CC(=O)N2CCN(CCO)[C@@H](C)C2)cc1F ZINC000188721856 200294839 /nfs/dbraw/zinc/29/48/39/200294839.db2.gz TWISGOMOAWIYDK-LBPRGKRZSA-N 0 0 310.369 0.902 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CCN1CCO ZINC000188729031 200296205 /nfs/dbraw/zinc/29/62/05/200296205.db2.gz KKCGXHPQOWPCQV-LLVKDONJSA-N 0 0 302.371 0.513 10 0 DCAERN Cc1nc(C(=O)NCc2ccc(NC(N)=O)cc2)c(=O)[nH]c1C ZINC000153866571 291209155 /nfs/dbraw/zinc/20/91/55/291209155.db2.gz GSVGZPBEDNIGGR-UHFFFAOYSA-N 0 0 315.333 0.807 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000154265873 291212297 /nfs/dbraw/zinc/21/22/97/291212297.db2.gz CUSZLBMFWKUHHR-NSHDSACASA-N 0 0 321.381 0.346 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)ccc1C ZINC000155177658 291217980 /nfs/dbraw/zinc/21/79/80/291217980.db2.gz WVZWHBWGZVWXTI-CYBMUJFWSA-N 0 0 303.362 0.843 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000155667193 291221452 /nfs/dbraw/zinc/22/14/52/291221452.db2.gz GKIUFRCFZMURIA-UHFFFAOYSA-N 0 0 304.350 0.983 10 0 DCAERN CCN1CCN(c2ccc(C(=O)N3CC(O)C3)cc2F)CC1 ZINC000156501400 291225162 /nfs/dbraw/zinc/22/51/62/291225162.db2.gz WNJOWEDKGJYEJF-UHFFFAOYSA-N 0 0 307.369 0.784 10 0 DCAERN C[C@@H](NC(=O)CCNC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000156648798 291225429 /nfs/dbraw/zinc/22/54/29/291225429.db2.gz IDIVOAPMIZYUSQ-SNVBAGLBSA-N 0 0 302.338 0.503 10 0 DCAERN CCN(Cc1nsc(N(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000157424442 291228787 /nfs/dbraw/zinc/22/87/87/291228787.db2.gz LOOMJQPSUBMJQH-VIFPVBQESA-N 0 0 304.441 0.613 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000158802458 291232468 /nfs/dbraw/zinc/23/24/68/291232468.db2.gz YATHLWWRMBNJFK-MNOVXSKESA-N 0 0 315.391 0.697 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246694280 238160433 /nfs/dbraw/zinc/16/04/33/238160433.db2.gz MYOHLLWHGFNYPE-JHJVBQTASA-N 0 0 306.428 0.194 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)Cn1c(C)cc(O)cc1=O ZINC000162993619 291245681 /nfs/dbraw/zinc/24/56/81/291245681.db2.gz CRYQURHZEDPISJ-UHFFFAOYSA-N 0 0 318.377 0.572 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)cc1C ZINC000167700465 291249397 /nfs/dbraw/zinc/24/93/97/291249397.db2.gz XEODWSYQEVMEDG-LBPRGKRZSA-N 0 0 315.391 0.776 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000299905935 291251385 /nfs/dbraw/zinc/25/13/85/291251385.db2.gz NRCUQUNRVDCJNW-XQQFMLRXSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189369278 299333428 /nfs/dbraw/zinc/33/34/28/299333428.db2.gz HTJGXHBMPMHYTB-NSHDSACASA-N 0 0 318.439 0.874 10 0 DCAERN NS(=O)(=O)[C@H]1Cc2ccccc2N(C[C@@H](O)C(F)(F)F)C1 ZINC000408522522 239271292 /nfs/dbraw/zinc/27/12/92/239271292.db2.gz ATGFLKUELUTHAV-GXSJLCMTSA-N 0 0 324.324 0.629 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121042032 299337090 /nfs/dbraw/zinc/33/70/90/299337090.db2.gz QBQNGOPMHYXOES-DMDPSCGWSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000566713588 291319535 /nfs/dbraw/zinc/31/95/35/291319535.db2.gz HFWBKZPEKGZGBE-OCCSQVGLSA-N 0 0 318.439 0.843 10 0 DCAERN CCc1cc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)[nH]n1 ZINC000567008026 291333212 /nfs/dbraw/zinc/33/32/12/291333212.db2.gz RTZBPMSBIQIGIK-GXTWGEPZSA-N 0 0 318.381 0.970 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(F)ccc1F ZINC000281883795 216608520 /nfs/dbraw/zinc/60/85/20/216608520.db2.gz DIZRAPQEQYFEFV-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN COc1cccc(CCNC(=O)NCC(=O)N2CCCC2)n1 ZINC000441423049 240519296 /nfs/dbraw/zinc/51/92/96/240519296.db2.gz LSYDSGFNMUGGSW-UHFFFAOYSA-N 0 0 306.366 0.554 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000091244612 193025419 /nfs/dbraw/zinc/02/54/19/193025419.db2.gz LZALKFUTHNQVJG-NWDGAFQWSA-N 0 0 321.377 0.300 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cncc(OCC)n2)CC12COC2 ZINC000450574197 240637542 /nfs/dbraw/zinc/63/75/42/240637542.db2.gz ZCOCGYPFEGNRAE-LLVKDONJSA-N 0 0 307.350 0.891 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccco2)CC12COC2 ZINC000451618091 240664870 /nfs/dbraw/zinc/66/48/70/240664870.db2.gz DDMPPKPGLKBMHT-JTQLQIEISA-N 0 0 315.347 0.480 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCOc2ccccc21 ZINC000270596276 283866510 /nfs/dbraw/zinc/86/65/10/283866510.db2.gz NGLFNAFRQBCIKJ-MNOVXSKESA-N 0 0 303.318 0.615 10 0 DCAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784608 193107925 /nfs/dbraw/zinc/10/79/25/193107925.db2.gz DETSJUZTBDFSQH-SNVBAGLBSA-N 0 0 316.308 0.150 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000091783453 193107927 /nfs/dbraw/zinc/10/79/27/193107927.db2.gz SDGCXDHTAUHHLW-AWEZNQCLSA-N 0 0 314.345 0.258 10 0 DCAERN Cn1ccnc1[C@H](NC(=O)C1CCN(CC(N)=O)CC1)C1CC1 ZINC000091794422 193108976 /nfs/dbraw/zinc/10/89/76/193108976.db2.gz AYRHXYFJANPHDP-CQSZACIVSA-N 0 0 319.409 0.185 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccnn2C)CC12COC2 ZINC000455163875 240832297 /nfs/dbraw/zinc/83/22/97/240832297.db2.gz UJUWZBRPTABLLS-JTQLQIEISA-N 0 0 308.338 0.464 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CC(S(C)(=O)=O)C2)c1 ZINC000457852139 241044363 /nfs/dbraw/zinc/04/43/63/241044363.db2.gz UYUJJDPTIXTACO-UHFFFAOYSA-N 0 0 311.359 0.651 10 0 DCAERN Cc1ccccc1OCCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457919274 241048452 /nfs/dbraw/zinc/04/84/52/241048452.db2.gz HYNSRMAVJCBUGU-ZDUSSCGKSA-N 0 0 319.365 0.326 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000365580494 291381336 /nfs/dbraw/zinc/38/13/36/291381336.db2.gz HRKPCMFJPATUNA-UPJWGTAASA-N 0 0 317.407 0.769 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000408335946 291381360 /nfs/dbraw/zinc/38/13/60/291381360.db2.gz KONVBGMSYITLKM-NEPJUHHUSA-N 0 0 317.407 0.770 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCC(=O)N1 ZINC000333602712 291384795 /nfs/dbraw/zinc/38/47/95/291384795.db2.gz CZGLBGWQGRZYHV-DAXOMENPSA-N 0 0 309.410 0.992 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000408022178 291387304 /nfs/dbraw/zinc/38/73/04/291387304.db2.gz RQEOFMHXKBDCDF-LJISPDSOSA-N 0 0 324.421 0.897 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@@H](C)N1CCOCC1)CC2 ZINC000408158895 283976995 /nfs/dbraw/zinc/97/69/95/283976995.db2.gz PBZABIFASHLKAT-OLZOCXBDSA-N 0 0 310.394 0.509 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(C3CC3)C2)no1 ZINC000568015731 291398100 /nfs/dbraw/zinc/39/81/00/291398100.db2.gz PMTNOTCRJUUPQL-VIFPVBQESA-N 0 0 306.366 0.994 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000375653460 291444527 /nfs/dbraw/zinc/44/45/27/291444527.db2.gz WZKWMRRCBJOPDJ-MJBXVCDLSA-N 0 0 316.357 0.624 10 0 DCAERN COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1O ZINC000093531042 193264632 /nfs/dbraw/zinc/26/46/32/193264632.db2.gz XVVBUIXTHFUOGN-LLVKDONJSA-N 0 0 300.380 0.524 10 0 DCAERN Cn1cc(CN2CCO[C@H](c3ccsc3)C2)c(=O)n(C)c1=O ZINC000093768570 193303502 /nfs/dbraw/zinc/30/35/02/193303502.db2.gz IZECOZZRUBDEOS-ZDUSSCGKSA-N 0 0 321.402 0.719 10 0 DCAERN COCCCOc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1 ZINC000093883117 193322496 /nfs/dbraw/zinc/32/24/96/193322496.db2.gz MIIGESOCHWXDLP-GJZGRUSLSA-N 0 0 306.362 0.931 10 0 DCAERN O=c1cc(CSC[C@H](O)CO)nc2ccc(Cl)cn12 ZINC000093958662 193331907 /nfs/dbraw/zinc/33/19/07/193331907.db2.gz YHMZOMXWYSFCEU-SNVBAGLBSA-N 0 0 300.767 0.934 10 0 DCAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000274965793 212045713 /nfs/dbraw/zinc/04/57/13/212045713.db2.gz SBQOKKNZWUSCEH-SGMGOOAPSA-N 0 0 306.362 0.874 10 0 DCAERN COC[C@@H]1Cn2ncnc2CN(C(=O)Cc2ccccn2)C1 ZINC000096067308 193518258 /nfs/dbraw/zinc/51/82/58/193518258.db2.gz ROZDTBVGKOOKPH-LBPRGKRZSA-N 0 0 301.350 0.521 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000569983395 291506592 /nfs/dbraw/zinc/50/65/92/291506592.db2.gz SPDNTDZWRBYENX-NSHDSACASA-N 0 0 304.412 0.532 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc2ccccc2[nH]c1=O ZINC000172002264 284240832 /nfs/dbraw/zinc/24/08/32/284240832.db2.gz PSBZZTBDTILLOA-NSHDSACASA-N 0 0 309.329 0.864 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282460195 217011893 /nfs/dbraw/zinc/01/18/93/217011893.db2.gz TVXHLQZRGKXTNR-SECBINFHSA-N 0 0 305.334 0.653 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N(C)CC(=O)N(C)C)c1ccccc1 ZINC000008096420 181526204 /nfs/dbraw/zinc/52/62/04/181526204.db2.gz CGFWMMTUOBMXHU-AWEZNQCLSA-N 0 0 305.378 0.801 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)CSc1ccc2c(c1)CCC2 ZINC000008145551 181530248 /nfs/dbraw/zinc/53/02/48/181530248.db2.gz JWZWSFGHFBIDDS-CYBMUJFWSA-N 0 0 309.387 0.918 10 0 DCAERN CC(C)c1ncncc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265233869 204472561 /nfs/dbraw/zinc/47/25/61/204472561.db2.gz CSVVFZNNYKVXEJ-SNVBAGLBSA-N 0 0 312.395 0.364 10 0 DCAERN COc1cncc(S(=O)(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000282482007 217028360 /nfs/dbraw/zinc/02/83/60/217028360.db2.gz FGWFYXBYUCDISJ-CYBMUJFWSA-N 0 0 314.363 0.270 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000374707899 284300561 /nfs/dbraw/zinc/30/05/61/284300561.db2.gz SPICRKSEBJJREZ-MNOVXSKESA-N 0 0 310.398 0.354 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cc(F)ccc1F ZINC000282652426 217154312 /nfs/dbraw/zinc/15/43/12/217154312.db2.gz UUBDQMHFNLNXIR-OIBJUYFYSA-N 0 0 304.318 0.910 10 0 DCAERN COCC(=O)N[C@H](C(=O)NCCOCC1CCC1)C(C)C ZINC000571969038 291541688 /nfs/dbraw/zinc/54/16/88/291541688.db2.gz XOAJOVGCGINXEJ-AWEZNQCLSA-N 0 0 300.399 0.707 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176600154 284329554 /nfs/dbraw/zinc/32/95/54/284329554.db2.gz JYJBELNHFWSQHI-QWRGUYRKSA-N 0 0 307.354 0.708 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282802004 217260045 /nfs/dbraw/zinc/26/00/45/217260045.db2.gz QPJXRGVOEJNPOT-SWLSCSKDSA-N 0 0 306.366 0.236 10 0 DCAERN COCCCNS(=O)(=O)c1cc(Br)cnc1N ZINC000020467667 182220752 /nfs/dbraw/zinc/22/07/52/182220752.db2.gz NSGPSHZIWMHSKP-UHFFFAOYSA-N 0 0 324.200 0.741 10 0 DCAERN C[C@H](NC(=O)Cn1cccnc1=O)c1ccc2c(c1)OCCO2 ZINC000025868494 182424227 /nfs/dbraw/zinc/42/42/27/182424227.db2.gz NVYGCERPUQQMKQ-NSHDSACASA-N 0 0 315.329 0.892 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000037802584 182927268 /nfs/dbraw/zinc/92/72/68/182927268.db2.gz BRFRZLSRZDSPTO-UHFFFAOYSA-N 0 0 309.391 0.372 10 0 DCAERN NC(=S)c1cccc(CS(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000038005223 182959424 /nfs/dbraw/zinc/95/94/24/182959424.db2.gz FRJVKNHKIWSZHY-GFCCVEGCSA-N 0 0 314.432 0.919 10 0 DCAERN NC(=O)CCCNS(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005356 182960406 /nfs/dbraw/zinc/96/04/06/182960406.db2.gz LFBBTGIPQNOSFK-UHFFFAOYSA-N 0 0 315.420 0.006 10 0 DCAERN NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000038106338 182990962 /nfs/dbraw/zinc/99/09/62/182990962.db2.gz HALYMKVHVVYEKS-BQBZGAKWSA-N 0 0 304.133 0.449 10 0 DCAERN CCN(C[C@H](C)C(N)=S)S(=O)(=O)CCCC(=O)OC ZINC000042443857 183270947 /nfs/dbraw/zinc/27/09/47/183270947.db2.gz HTVTVFQKPVHVCA-VIFPVBQESA-N 0 0 310.441 0.514 10 0 DCAERN Cc1ccc(NCCCNC(=O)N2CCNC(=O)CC2)nc1 ZINC000105139369 194077453 /nfs/dbraw/zinc/07/74/53/194077453.db2.gz FCTUVIOOGSABSS-UHFFFAOYSA-N 0 0 305.382 0.724 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnccc2C)C1 ZINC000105532733 194109632 /nfs/dbraw/zinc/10/96/32/194109632.db2.gz FYWYRQRZBBKDOB-GFCCVEGCSA-N 0 0 304.350 0.456 10 0 DCAERN Cn1nccc1CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000046941771 183574396 /nfs/dbraw/zinc/57/43/96/183574396.db2.gz LMTZEOLCSCAXSV-CYBMUJFWSA-N 0 0 319.409 0.868 10 0 DCAERN Cc1ncc(CN2CCN(CCN3C(=O)CNC3=O)CC2)s1 ZINC000105814304 194134980 /nfs/dbraw/zinc/13/49/80/194134980.db2.gz NSBGUMPMVMLXDY-UHFFFAOYSA-N 0 0 323.422 0.121 10 0 DCAERN CCOCCN1CCN(CCCS(C)(=O)=O)C[C@H]1CC ZINC000105838642 194144740 /nfs/dbraw/zinc/14/47/40/194144740.db2.gz YCXCPFUUEOXLCK-CQSZACIVSA-N 0 0 306.472 0.854 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000047601121 183596918 /nfs/dbraw/zinc/59/69/18/183596918.db2.gz FNHKMUWHAVRVCL-CMPLNLGQSA-N 0 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DRKMCOFTDHQYQP-VIFPVBQESA-N 0 0 302.338 0.249 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408338279 291773992 /nfs/dbraw/zinc/77/39/92/291773992.db2.gz YTVOVZSZCBOSSH-MXWKQRLJSA-N 0 0 322.427 0.111 10 0 DCAERN CS(=O)(=O)CCNC(=O)[C@@H](C(N)=S)c1ccccc1 ZINC000061616248 184178514 /nfs/dbraw/zinc/17/85/14/184178514.db2.gz MBBIFKOHYNRPGN-SNVBAGLBSA-N 0 0 300.405 0.217 10 0 DCAERN O=C(CNS(=O)(=O)NC1CCCC1)NC1CCCCC1 ZINC000062433458 184236040 /nfs/dbraw/zinc/23/60/40/184236040.db2.gz HYZUVHHDFHTFRQ-UHFFFAOYSA-N 0 0 303.428 0.802 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccn(C)c(=O)c1 ZINC000063705630 184287043 /nfs/dbraw/zinc/28/70/43/184287043.db2.gz WEBCMHAAFDRBHZ-ZDUSSCGKSA-N 0 0 305.378 0.858 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000067201409 184454445 /nfs/dbraw/zinc/45/44/45/184454445.db2.gz SUXGDFWLHQUENE-ZIAGYGMSSA-N 0 0 317.389 0.280 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2ccnn2C)c1 ZINC000088769437 252589783 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257118840 /nfs/dbraw/zinc/11/88/40/257118840.db2.gz NNKMVIYUNLRQDT-HZSPNIEDSA-N 0 0 302.378 0.987 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC000247549261 257119191 /nfs/dbraw/zinc/11/91/91/257119191.db2.gz VITZQHMVHYKTQR-VXGBXAGGSA-N 0 0 314.363 0.155 10 0 DCAERN CS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1ccccn1)C2 ZINC000247517241 257119217 /nfs/dbraw/zinc/11/92/17/257119217.db2.gz KEVMZACHYXTXAC-GXTWGEPZSA-N 0 0 311.407 0.079 10 0 DCAERN CS(=O)(=O)N1Cc2cncn2[C@H](C(=O)NCc2ccco2)C1 ZINC000247563539 257119241 /nfs/dbraw/zinc/11/92/41/257119241.db2.gz ZNBVXJMFLYMCFB-LBPRGKRZSA-N 0 0 324.362 0.109 10 0 DCAERN O=C(NCC1CC1)[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247468515 257119271 /nfs/dbraw/zinc/11/92/71/257119271.db2.gz DMLPMBDEGDBDQS-OAHLLOKOSA-N 0 0 304.394 0.945 10 0 DCAERN COC(=O)[C@@H]1C[C@@]2(CCC(=O)O2)C(=O)N1C(=O)OC(C)(C)C ZINC000038259612 257129380 /nfs/dbraw/zinc/12/93/80/257129380.db2.gz XCIYBLSSMABYNZ-RTHLEPHNSA-N 0 0 313.306 0.771 10 0 DCAERN 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ZINC000270485982 395776260 /nfs/dbraw/zinc/77/62/60/395776260.db2.gz IWMGQXZXWYWCGN-CYBMUJFWSA-N 0 0 306.410 0.826 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@H](O)CN2CCOCC2)ccc1C ZINC000193786472 395778902 /nfs/dbraw/zinc/77/89/02/395778902.db2.gz UGGCIXKWKROLFN-OAHLLOKOSA-N 0 0 320.389 0.621 10 0 DCAERN CCOC(=O)CN(C)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000194734845 395805385 /nfs/dbraw/zinc/80/53/85/395805385.db2.gz PFYOMOXQAPIKRJ-UHFFFAOYSA-N 0 0 322.409 0.654 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000194758504 395806741 /nfs/dbraw/zinc/80/67/41/395806741.db2.gz YKKAXWHZQNFWBQ-QJPTWQEYSA-N 0 0 304.412 0.199 10 0 DCAERN COCCCS(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111343904 395807331 /nfs/dbraw/zinc/80/73/31/395807331.db2.gz BXNNGQKAPNZQGZ-JTQLQIEISA-N 0 0 306.409 0.883 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)CCCOC)C1 ZINC000111336654 395807471 /nfs/dbraw/zinc/80/74/71/395807471.db2.gz LEGSNTQQGPXRIX-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN Cn1cc(NC(=O)NCc2ccc(C(N)=O)cc2)ccc1=O ZINC000194805843 395808195 /nfs/dbraw/zinc/80/81/95/395808195.db2.gz TYJGLGRJDAPSSV-UHFFFAOYSA-N 0 0 300.318 0.806 10 0 DCAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000048112195 395808303 /nfs/dbraw/zinc/80/83/03/395808303.db2.gz FNZNDSFCTKODFY-GWCFXTLKSA-N 0 0 301.346 0.853 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)CCn1cccn1 ZINC000111357044 395808492 /nfs/dbraw/zinc/80/84/92/395808492.db2.gz XTBZYHLAWNOBKG-UHFFFAOYSA-N 0 0 317.802 0.899 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194827072 395809270 /nfs/dbraw/zinc/80/92/70/395809270.db2.gz VBGHSIFALLWUPW-GFCCVEGCSA-N 0 0 315.377 0.962 10 0 DCAERN CC(C)CCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000111609621 395810632 /nfs/dbraw/zinc/81/06/32/395810632.db2.gz MNIXEHVHRUUZMO-UHFFFAOYSA-N 0 0 320.436 0.800 10 0 DCAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCNC(=O)CC1 ZINC000194957181 395812022 /nfs/dbraw/zinc/81/20/22/395812022.db2.gz RLFVZBXADLRRDV-JTQLQIEISA-N 0 0 307.316 0.609 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)N[C@@H]1COc2ccccc21 ZINC000195016204 395813437 /nfs/dbraw/zinc/81/34/37/395813437.db2.gz BZFHVUSDBPNBDA-CYBMUJFWSA-N 0 0 304.346 0.875 10 0 DCAERN COC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000048435045 395814806 /nfs/dbraw/zinc/81/48/06/395814806.db2.gz JGQWZMYYNLOGAC-NSHDSACASA-N 0 0 308.334 0.954 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000112555296 395819579 /nfs/dbraw/zinc/81/95/79/395819579.db2.gz PWYGCCPRFPFIDY-JTQLQIEISA-N 0 0 311.411 0.364 10 0 DCAERN CCn1c(C)nnc1CS(=O)(=O)c1n[nH]c(C(C)(C)C)n1 ZINC000195175950 395819704 /nfs/dbraw/zinc/81/97/04/395819704.db2.gz GMRCBBUTNLNRFC-UHFFFAOYSA-N 0 0 312.399 0.996 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCOC[C@@]12CCOC2 ZINC000195187302 395820014 /nfs/dbraw/zinc/82/00/14/395820014.db2.gz CNIIKFWPRGANCG-INIZCTEOSA-N 0 0 317.345 0.348 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-n2ccnc2)nc1 ZINC000112647159 395820309 /nfs/dbraw/zinc/82/03/09/395820309.db2.gz HFIXQZXAAMBUSQ-LBPRGKRZSA-N 0 0 309.333 0.604 10 0 DCAERN O=C(NCc1cccc2c1OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112745354 395824151 /nfs/dbraw/zinc/82/41/51/395824151.db2.gz UCWIRJIMDUCFMT-LLVKDONJSA-N 0 0 315.333 0.821 10 0 DCAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@@H](C)CS(C)(=O)=O ZINC000112745432 395824205 /nfs/dbraw/zinc/82/42/05/395824205.db2.gz OTZXDJBQLRHIKI-QWHCGFSZSA-N 0 0 319.471 0.935 10 0 DCAERN COc1ncccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112742664 395824222 /nfs/dbraw/zinc/82/42/22/395824222.db2.gz OTRKWQFUMISTPM-NSHDSACASA-N 0 0 302.338 0.496 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195361319 395825643 /nfs/dbraw/zinc/82/56/43/395825643.db2.gz FBDUFMTUJVQANE-QLFBSQMISA-N 0 0 324.421 0.756 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCCN2C(=O)CCC2=O)cn1 ZINC000113976075 395832469 /nfs/dbraw/zinc/83/24/69/395832469.db2.gz CFKSOJFBYYFFMO-GFCCVEGCSA-N 0 0 319.365 0.416 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nccnc1N ZINC000114689639 395836517 /nfs/dbraw/zinc/83/65/17/395836517.db2.gz YRXLKPWIDBZJOD-LBPRGKRZSA-N 0 0 313.361 0.488 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)n(C)n1 ZINC000116321444 395843075 /nfs/dbraw/zinc/84/30/75/395843075.db2.gz TXIWRJMCMXXMQR-GFCCVEGCSA-N 0 0 302.382 0.890 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115943 395860550 /nfs/dbraw/zinc/86/05/50/395860550.db2.gz YAMWYMJLUSKYCU-ZDUSSCGKSA-N 0 0 305.378 0.634 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116552730 395844892 /nfs/dbraw/zinc/84/48/92/395844892.db2.gz BESDOWOGZZFEGX-GXTWGEPZSA-N 0 0 319.409 0.928 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cccc(Cl)n2)C1 ZINC000116830551 395846052 /nfs/dbraw/zinc/84/60/52/395846052.db2.gz DZQMYBHAQIXVDQ-QMMMGPOBSA-N 0 0 303.771 0.499 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2noc3c2CCCC3)C1 ZINC000116834148 395847144 /nfs/dbraw/zinc/84/71/44/395847144.db2.gz RQUACAGKCVJMMS-VIFPVBQESA-N 0 0 313.379 0.317 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000116835303 395848041 /nfs/dbraw/zinc/84/80/41/395848041.db2.gz VRNRLSOZGLMXCL-YEZKRMTDSA-N 0 0 300.405 0.911 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000116892081 395848787 /nfs/dbraw/zinc/84/87/87/395848787.db2.gz VOERAMHDFJEOFL-GWCFXTLKSA-N 0 0 320.361 0.622 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116982028 395850683 /nfs/dbraw/zinc/85/06/83/395850683.db2.gz RHSSZVPRPFATLE-CYBMUJFWSA-N 0 0 310.375 0.653 10 0 DCAERN COCCN1CCN(C(=O)Nc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000117398215 395852913 /nfs/dbraw/zinc/85/29/13/395852913.db2.gz UBXQYQDNUAKAIV-LBPRGKRZSA-N 0 0 320.393 0.970 10 0 DCAERN COc1ncccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133842 395861179 /nfs/dbraw/zinc/86/11/79/395861179.db2.gz JIWZJULYBCNQBN-UHFFFAOYSA-N 0 0 303.322 0.350 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnn1C ZINC000109106831 395796368 /nfs/dbraw/zinc/79/63/68/395796368.db2.gz WVDSCZBMBFBLSW-ZDUSSCGKSA-N 0 0 300.362 0.849 10 0 DCAERN O=C(NCc1ncccn1)[C@@H]1CN=C(c2cncnc2)S1 ZINC000118064768 395857984 /nfs/dbraw/zinc/85/79/84/395857984.db2.gz UGZCXCFCOXFLGX-JTQLQIEISA-N 0 0 300.347 0.445 10 0 DCAERN Cn1cnc(CNc2ncncc2I)n1 ZINC000236148703 395893459 /nfs/dbraw/zinc/89/34/59/395893459.db2.gz ZMRGDJJPCTUTDJ-UHFFFAOYSA-N 0 0 316.106 0.822 10 0 DCAERN Cc1nc(CNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)no1 ZINC000124497307 395900502 /nfs/dbraw/zinc/90/05/02/395900502.db2.gz NIJQFALQTYNDTE-QWRGUYRKSA-N 0 0 320.349 0.560 10 0 DCAERN Cc1nc(CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)no1 ZINC000124497067 395900870 /nfs/dbraw/zinc/90/08/70/395900870.db2.gz NIJQFALQTYNDTE-PHIMTYICSA-N 0 0 320.349 0.560 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(C2CC2)CC1 ZINC000126069015 395909085 /nfs/dbraw/zinc/90/90/85/395909085.db2.gz RRNAIKUKYHPRIL-GFCCVEGCSA-N 0 0 316.405 0.893 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC(Cn3cccn3)CC2)C1=O ZINC000126295192 395911597 /nfs/dbraw/zinc/91/15/97/395911597.db2.gz LLYXXKZRIHPMSD-UHFFFAOYSA-N 0 0 319.365 0.016 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000126257580 395911702 /nfs/dbraw/zinc/91/17/02/395911702.db2.gz HNKWUQUDYNPFQY-CYBMUJFWSA-N 0 0 312.391 0.501 10 0 DCAERN O=C(CNC(=O)c1cnn2c1CCCC2)NCC(F)(F)F ZINC000126316341 395911923 /nfs/dbraw/zinc/91/19/23/395911923.db2.gz KUXNOIIAWPCYGL-UHFFFAOYSA-N 0 0 304.272 0.628 10 0 DCAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1 ZINC000129582534 395920545 /nfs/dbraw/zinc/92/05/45/395920545.db2.gz VYVXURAOAVEZMA-UHFFFAOYSA-N 0 0 316.361 0.031 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000226459203 395865682 /nfs/dbraw/zinc/86/56/82/395865682.db2.gz UTYHTAOQOZEDDA-NWDGAFQWSA-N 0 0 320.411 0.370 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1 ZINC000119043867 395866171 /nfs/dbraw/zinc/86/61/71/395866171.db2.gz UFMYIAWSVXDHRJ-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000119062586 395867186 /nfs/dbraw/zinc/86/71/86/395867186.db2.gz AEBBPROZJRZHPX-NSHDSACASA-N 0 0 315.337 0.737 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000226863926 395867117 /nfs/dbraw/zinc/86/71/17/395867117.db2.gz QHXREVIMFPVPED-VXGBXAGGSA-N 0 0 305.396 0.913 10 0 DCAERN CN(C)c1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000119167487 395868299 /nfs/dbraw/zinc/86/82/99/395868299.db2.gz YCQRTJAMMKMARH-CYBMUJFWSA-N 0 0 307.398 0.277 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000052757841 395869535 /nfs/dbraw/zinc/86/95/35/395869535.db2.gz YERLQAHUGQWXDO-QWHCGFSZSA-N 0 0 318.439 0.422 10 0 DCAERN C[NH+](C)C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1 ZINC000119410647 395870589 /nfs/dbraw/zinc/87/05/89/395870589.db2.gz IPKQBRODHBHSJH-HNNXBMFYSA-N 0 0 307.394 0.497 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000228064056 395870669 /nfs/dbraw/zinc/87/06/69/395870669.db2.gz XBSMZCZZCQMHFK-DTWKUNHWSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H](CCNS(=O)(=O)c1ccc(N)cc1F)[S@](C)=O ZINC000229778553 395876466 /nfs/dbraw/zinc/87/64/66/395876466.db2.gz IOIMDTGFUXQXJD-CVJBHZAOSA-N 0 0 308.400 0.843 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119808881 395876614 /nfs/dbraw/zinc/87/66/14/395876614.db2.gz MBIKBANZYHWSPO-CQSZACIVSA-N 0 0 321.352 0.572 10 0 DCAERN CNC(=O)C(C)(C)CNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000119887936 395878034 /nfs/dbraw/zinc/87/80/34/395878034.db2.gz ANIZJAZKFUYKGJ-UHFFFAOYSA-N 0 0 322.818 0.432 10 0 DCAERN CCc1cc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)n[nH]1 ZINC000120639787 395882243 /nfs/dbraw/zinc/88/22/43/395882243.db2.gz WFPZJRZZFRJFGL-UHFFFAOYSA-N 0 0 314.353 0.790 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cnn(CC(N)=O)c1)C(C)C ZINC000053414496 395883255 /nfs/dbraw/zinc/88/32/55/395883255.db2.gz YSIVMRWXWDEINP-CQSZACIVSA-N 0 0 323.397 0.494 10 0 DCAERN C[C@H]1CN(C(=O)CCOCC(F)(F)F)CCS1(=O)=O ZINC000122056488 395885437 /nfs/dbraw/zinc/88/54/37/395885437.db2.gz ZPGLUDKJDOCESC-QMMMGPOBSA-N 0 0 303.302 0.601 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000245557659 395932274 /nfs/dbraw/zinc/93/22/74/395932274.db2.gz VEZHXBCFHDOFKE-YIYPIFLZSA-N 0 0 320.455 0.823 10 0 DCAERN Cc1noc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000056912354 395935024 /nfs/dbraw/zinc/93/50/24/395935024.db2.gz DJGBWDHYYITOFL-UHFFFAOYSA-N 0 0 301.262 0.020 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1CCC(=O)N1 ZINC000134959855 395936213 /nfs/dbraw/zinc/93/62/13/395936213.db2.gz LQSFEPQDFCNFCH-NSHDSACASA-N 0 0 308.407 0.681 10 0 DCAERN COCCOC[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000246091885 395941140 /nfs/dbraw/zinc/94/11/40/395941140.db2.gz GRFNIDXPPUWEJU-ZIAGYGMSSA-N 0 0 320.455 0.948 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N[C@H]2CCc3ncnn3C2)ncn1 ZINC000246270939 395945755 /nfs/dbraw/zinc/94/57/55/395945755.db2.gz QPWOAWZISAJEMJ-RYUDHWBXSA-N 0 0 315.381 0.456 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000057632408 395946053 /nfs/dbraw/zinc/94/60/53/395946053.db2.gz PHAAXECYENBYQY-UHFFFAOYSA-N 0 0 303.815 0.999 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000246361871 395947993 /nfs/dbraw/zinc/94/79/93/395947993.db2.gz KIBFDNPBARPJLN-AVGNSLFASA-N 0 0 312.414 0.641 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cn1 ZINC000246419489 395949557 /nfs/dbraw/zinc/94/95/57/395949557.db2.gz MNVVLNSJBKOBQC-QJPTWQEYSA-N 0 0 306.366 0.771 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246493348 395951566 /nfs/dbraw/zinc/95/15/66/395951566.db2.gz KAHRBKNXBBODGT-MELADBBJSA-N 0 0 300.399 0.407 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CNC(=O)C1 ZINC000246531383 395951847 /nfs/dbraw/zinc/95/18/47/395951847.db2.gz LDKSERFNMNFDLC-UWVGGRQHSA-N 0 0 308.769 0.566 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1N1CCOCC1 ZINC000246564468 395952857 /nfs/dbraw/zinc/95/28/57/395952857.db2.gz VDDDHQAZAZUPLC-UKRRQHHQSA-N 0 0 307.394 0.548 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000140241754 395956099 /nfs/dbraw/zinc/95/60/99/395956099.db2.gz WLIDLURNPWNGGU-STQMWFEESA-N 0 0 321.425 0.910 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246814752 395958193 /nfs/dbraw/zinc/95/81/93/395958193.db2.gz SDIYWYJECFYMCU-KBPBESRZSA-N 0 0 322.405 0.988 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnn(Cc2ccccc2)c1 ZINC000152181925 396002341 /nfs/dbraw/zinc/00/23/41/396002341.db2.gz PJLBCXDQIZVDHW-ZDUSSCGKSA-N 0 0 312.329 0.466 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@H](CCO)c2ccccc2)C1 ZINC000246903492 395961016 /nfs/dbraw/zinc/96/10/16/395961016.db2.gz HDNNRNMAKFMLIK-JKSUJKDBSA-N 0 0 321.421 0.782 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](C)[C@H]1C)CC2 ZINC000247003128 395963794 /nfs/dbraw/zinc/96/37/94/395963794.db2.gz PSQZYDASEIFSGO-GRYCIOLGSA-N 0 0 307.398 0.974 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCOC[C@H]2CCOC2)C1 ZINC000247102947 395966768 /nfs/dbraw/zinc/96/67/68/395966768.db2.gz VFUONOUDNUYZAD-UONOGXRCSA-N 0 0 320.455 0.996 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000274685181 395968015 /nfs/dbraw/zinc/96/80/15/395968015.db2.gz TZPVNMRSCZAZIO-LLVKDONJSA-N 0 0 324.410 0.898 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000247172385 395968089 /nfs/dbraw/zinc/96/80/89/395968089.db2.gz NAIDFQZMFYSDDI-ZIAGYGMSSA-N 0 0 301.431 0.180 10 0 DCAERN Cc1ccc(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C ZINC000150735812 395971868 /nfs/dbraw/zinc/97/18/68/395971868.db2.gz OKCDMWDTXUXRGM-UHFFFAOYSA-N 0 0 317.345 0.718 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3cccs3)CC2)C1 ZINC000150729964 395972041 /nfs/dbraw/zinc/97/20/41/395972041.db2.gz GFDIRUWECUSGCC-ZDUSSCGKSA-N 0 0 324.450 0.910 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000247402249 395973368 /nfs/dbraw/zinc/97/33/68/395973368.db2.gz YOQYDZUDEXYQNO-ZDUSSCGKSA-N 0 0 314.430 0.265 10 0 DCAERN NC(=O)COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000151042368 395977297 /nfs/dbraw/zinc/97/72/97/395977297.db2.gz BXSQDJQDOXWUGV-TZMCWYRMSA-N 0 0 306.362 0.832 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C[C@H]1n1ccnc1 ZINC000247641944 395977379 /nfs/dbraw/zinc/97/73/79/395977379.db2.gz OOHUZZXMWWGRKO-WCQYABFASA-N 0 0 309.395 0.888 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cnc2ccccn2c1=O ZINC000151091490 395978877 /nfs/dbraw/zinc/97/88/77/395978877.db2.gz OBBAPIDMEVXATI-DGCLKSJQSA-N 0 0 301.346 0.975 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248122525 395982200 /nfs/dbraw/zinc/98/22/00/395982200.db2.gz UOONLEJZGFUWFR-ZFWWWQNUSA-N 0 0 310.419 0.983 10 0 DCAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)CNC(C)=O)C1 ZINC000151372056 395984528 /nfs/dbraw/zinc/98/45/28/395984528.db2.gz SJJFOMQWRIQWMO-LSDHHAIUSA-N 0 0 318.373 0.928 10 0 DCAERN CC(C)[C@@H](C(=O)NCc1cscn1)N1CCCS1(=O)=O ZINC000151398913 395985419 /nfs/dbraw/zinc/98/54/19/395985419.db2.gz PFETVIHREJVZPT-NSHDSACASA-N 0 0 317.436 0.819 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ncccc1O ZINC000275628093 395985680 /nfs/dbraw/zinc/98/56/80/395985680.db2.gz JNXGAUMGAOXKTF-JTQLQIEISA-N 0 0 315.333 0.682 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c1 ZINC000151538791 395987582 /nfs/dbraw/zinc/98/75/82/395987582.db2.gz JYLDDJNKDYAGJP-UHFFFAOYSA-N 0 0 316.427 0.999 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248572517 395989846 /nfs/dbraw/zinc/98/98/46/395989846.db2.gz GLICCVHSGHTYJZ-JKIFEVAISA-N 0 0 323.437 0.886 10 0 DCAERN CC(C)CNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151806877 395993247 /nfs/dbraw/zinc/99/32/47/395993247.db2.gz IVLRVKIPOLRFDG-UHFFFAOYSA-N 0 0 303.370 0.612 10 0 DCAERN CC(C)Oc1cc(CNC(=O)N2CCNC(=O)CC2)ccn1 ZINC000151802181 395993352 /nfs/dbraw/zinc/99/33/52/395993352.db2.gz ZDRPOEOIQGFJFG-UHFFFAOYSA-N 0 0 306.366 0.900 10 0 DCAERN C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@H]2C1 ZINC000248664523 395993738 /nfs/dbraw/zinc/99/37/38/395993738.db2.gz JXXZYYUDEJCATP-KBPBESRZSA-N 0 0 301.456 0.438 10 0 DCAERN CCN1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000248707599 395995387 /nfs/dbraw/zinc/99/53/87/395995387.db2.gz PDDADIOWMATIQO-GFCCVEGCSA-N 0 0 303.428 0.517 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NCC(=O)N(C)CCc2ccccn2)O1 ZINC000151912321 395995956 /nfs/dbraw/zinc/99/59/56/395995956.db2.gz NGPVMNCCHYKMCV-TZMCWYRMSA-N 0 0 305.378 0.766 10 0 DCAERN CN(C)C(=O)CNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000151966227 395997874 /nfs/dbraw/zinc/99/78/74/395997874.db2.gz WZPDZMHBIOTESY-LBPRGKRZSA-N 0 0 320.397 0.175 10 0 DCAERN COCCOCCS(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000153227687 396022324 /nfs/dbraw/zinc/02/23/24/396022324.db2.gz WDOAHNORWMMNNC-ZDUSSCGKSA-N 0 0 317.411 0.550 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@]4(CCOC4)C3)nc2n1 ZINC000153305663 396023130 /nfs/dbraw/zinc/02/31/30/396023130.db2.gz WCOCAMPAXKKDMW-INIZCTEOSA-N 0 0 315.377 0.923 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000252861288 396024864 /nfs/dbraw/zinc/02/48/64/396024864.db2.gz NKAGANMUJFECAC-FDYHWXHSSA-N 0 0 303.424 0.962 10 0 DCAERN CN(C)c1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154113620 396031365 /nfs/dbraw/zinc/03/13/65/396031365.db2.gz WYWSIYCEWQSFKM-OAHLLOKOSA-N 0 0 307.394 0.176 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1cccnc1-n1ccnc1 ZINC000154137127 396031982 /nfs/dbraw/zinc/03/19/82/396031982.db2.gz JCITYZLOXFDBKV-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccnc(-n2cncn2)c1 ZINC000155136771 396047647 /nfs/dbraw/zinc/04/76/47/396047647.db2.gz QSNUPNYLUGIJGJ-RYUDHWBXSA-N 0 0 300.366 0.827 10 0 DCAERN COCCOc1cccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c1 ZINC000261855552 396072464 /nfs/dbraw/zinc/07/24/64/396072464.db2.gz BREYCLRBLRGABY-DOMZBBRYSA-N 0 0 308.378 0.705 10 0 DCAERN CCn1cc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)cn1 ZINC000155401832 396050866 /nfs/dbraw/zinc/05/08/66/396050866.db2.gz LAJAYEZZPZNWGY-LLVKDONJSA-N 0 0 304.354 0.906 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000261856624 396072663 /nfs/dbraw/zinc/07/26/63/396072663.db2.gz ABACTNGNANVSDR-CHWSQXEVSA-N 0 0 323.343 0.901 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2ccccc2F)CCS1(=O)=O ZINC000155538889 396053569 /nfs/dbraw/zinc/05/35/69/396053569.db2.gz KQVSSJINCCNDKI-NSHDSACASA-N 0 0 314.382 0.561 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@H]1C ZINC000261680321 396055472 /nfs/dbraw/zinc/05/54/72/396055472.db2.gz LQCIZZYIUPXVBJ-SFYZADRCSA-N 0 0 319.408 0.206 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H](C)O1 ZINC000157807860 396063541 /nfs/dbraw/zinc/06/35/41/396063541.db2.gz NEECDGLIXNNDLR-RNCFNFMXSA-N 0 0 309.366 0.368 10 0 DCAERN C[C@H](c1nnc(I)o1)S(C)(=O)=O ZINC000157921748 396064072 /nfs/dbraw/zinc/06/40/72/396064072.db2.gz HKHZCQDGDFJLFM-GSVOUGTGSA-N 0 0 302.093 0.780 10 0 DCAERN Cc1cnn(C[C@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107468 396002986 /nfs/dbraw/zinc/00/29/86/396002986.db2.gz XHTOEYKDQHNUBR-JKSUJKDBSA-N 0 0 308.426 0.613 10 0 DCAERN C[C@@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)CCN1CCO ZINC000249575273 396009421 /nfs/dbraw/zinc/00/94/21/396009421.db2.gz PJSLVXQGPDLGQO-CJNGLKHVSA-N 0 0 321.396 0.929 10 0 DCAERN CN(CCN1CCOCC1)C(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000276570613 396010965 /nfs/dbraw/zinc/01/09/65/396010965.db2.gz DTQJCVWOMPWJEF-JKSUJKDBSA-N 0 0 319.405 0.950 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@@H](O)CN1CCCC1=O)[C@H]2C ZINC000251595171 396016806 /nfs/dbraw/zinc/01/68/06/396016806.db2.gz FPPGXYGTBDFHJM-QWHCGFSZSA-N 0 0 321.425 0.761 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000276659255 396019112 /nfs/dbraw/zinc/01/91/12/396019112.db2.gz MKJSYKKBZOPTJM-NEPJUHHUSA-N 0 0 317.393 0.508 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000153088459 396020360 /nfs/dbraw/zinc/02/03/60/396020360.db2.gz LNWBDBBPQNIWIQ-KCJUWKMLSA-N 0 0 307.375 0.765 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000069139910 396071015 /nfs/dbraw/zinc/07/10/15/396071015.db2.gz YLFLXYXTAPHGDT-IUCAKERBSA-N 0 0 318.420 0.953 10 0 DCAERN C[C@H](CO)Sc1nc[nH]c(=O)c1I ZINC000165997012 396088429 /nfs/dbraw/zinc/08/84/29/396088429.db2.gz KKNPTTMBJNMGDF-SCSAIBSYSA-N 0 0 312.132 0.847 10 0 DCAERN CN1CCN(c2nsc(I)n2)CC1 ZINC000166084939 396088441 /nfs/dbraw/zinc/08/84/41/396088441.db2.gz UOTDGDFNNSCWKA-UHFFFAOYSA-N 0 0 310.164 0.895 10 0 DCAERN CN1C(=O)CS(=O)(=O)C12CCN(C(=O)c1ccco1)CC2 ZINC000169781093 396091743 /nfs/dbraw/zinc/09/17/43/396091743.db2.gz VLVMGZHBJDZSMD-UHFFFAOYSA-N 0 0 312.347 0.099 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]c(=O)n2CC1)c1[nH]nc2ccccc21 ZINC000169783675 396092638 /nfs/dbraw/zinc/09/26/38/396092638.db2.gz SITYKBHDCKBWCM-SECBINFHSA-N 0 0 312.333 0.583 10 0 DCAERN Cc1nnc2n1CC[C@H](N(C)S(=O)(=O)c1cn(C)cn1)CC2 ZINC000169790479 396093405 /nfs/dbraw/zinc/09/34/05/396093405.db2.gz OTNMFOVGTFCTNJ-LLVKDONJSA-N 0 0 324.410 0.346 10 0 DCAERN Cc1noc(C)c1CCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000170960536 396102127 /nfs/dbraw/zinc/10/21/27/396102127.db2.gz XHHVTKLVGBVGNW-UHFFFAOYSA-N 0 0 323.374 0.911 10 0 DCAERN O=S(=O)(c1cccnc1N1CCC[C@H](O)C1)N1CCCC1 ZINC000070458379 396102196 /nfs/dbraw/zinc/10/21/96/396102196.db2.gz XOCICTHQTPJOIW-LBPRGKRZSA-N 0 0 311.407 0.827 10 0 DCAERN CCc1nsc(N2CCCN(Cc3noc(CN)n3)CC2)n1 ZINC000262181491 396107643 /nfs/dbraw/zinc/10/76/43/396107643.db2.gz IUGJXEDPUQAAQY-UHFFFAOYSA-N 0 0 323.426 0.655 10 0 DCAERN Cc1cccc(-n2cc(C(=O)NC[C@H]3CN(C)CCO3)nn2)c1 ZINC000171286946 396112915 /nfs/dbraw/zinc/11/29/15/396112915.db2.gz LHHMUUOCRGTEMN-AWEZNQCLSA-N 0 0 315.377 0.636 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000171286309 396113099 /nfs/dbraw/zinc/11/30/99/396113099.db2.gz ZNLGKCGXIFIUAS-LBPRGKRZSA-N 0 0 309.341 0.845 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)c1ccnc(-n2cncn2)c1 ZINC000171313578 396113952 /nfs/dbraw/zinc/11/39/52/396113952.db2.gz LXFCADSAZNETTC-UHFFFAOYSA-N 0 0 303.322 0.734 10 0 DCAERN O=C(CNC(=O)N[C@H]1CCCOC1)NCCc1ccccc1 ZINC000171602784 396119387 /nfs/dbraw/zinc/11/93/87/396119387.db2.gz NJXYIQRBBRJKBX-AWEZNQCLSA-N 0 0 305.378 0.824 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171579418 396119900 /nfs/dbraw/zinc/11/99/00/396119900.db2.gz ONDOGGKAHBRSSG-NEPJUHHUSA-N 0 0 307.398 0.992 10 0 DCAERN CN(C)C(=O)CC1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000278436668 396124870 /nfs/dbraw/zinc/12/48/70/396124870.db2.gz QCXHCOCVOSLAET-UHFFFAOYSA-N 0 0 317.397 0.640 10 0 DCAERN CN(CCn1cccn1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000171776822 396125264 /nfs/dbraw/zinc/12/52/64/396125264.db2.gz CVVGRWMXDXHSJD-UHFFFAOYSA-N 0 0 308.363 0.303 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCc2ncnn2C1 ZINC000171856918 396127029 /nfs/dbraw/zinc/12/70/29/396127029.db2.gz AZPRQGDWIGSHQN-LBPRGKRZSA-N 0 0 317.324 0.278 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000172517455 396132157 /nfs/dbraw/zinc/13/21/57/396132157.db2.gz IXNMZOQEGOTLSQ-UONOGXRCSA-N 0 0 303.362 0.981 10 0 DCAERN O=S(=O)(N1CC[C@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000173998075 396137023 /nfs/dbraw/zinc/13/70/23/396137023.db2.gz DLRMQHARULTKPS-AWEZNQCLSA-N 0 0 317.455 0.514 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000174481480 396138619 /nfs/dbraw/zinc/13/86/19/396138619.db2.gz ZLBOYONLMDMDJL-JSGCOSHPSA-N 0 0 320.455 0.714 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(C)cn1 ZINC000178728071 396205797 /nfs/dbraw/zinc/20/57/97/396205797.db2.gz GXIRRVQFFGOVKR-ZDUSSCGKSA-N 0 0 300.362 0.849 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000178750922 396207486 /nfs/dbraw/zinc/20/74/86/396207486.db2.gz LSHMRSFCVQCKDL-SNVBAGLBSA-N 0 0 307.354 0.370 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC(Nc2cccnn2)CC1 ZINC000263245875 396208383 /nfs/dbraw/zinc/20/83/83/396208383.db2.gz PHGGXUAOOAQJKU-NSHDSACASA-N 0 0 311.336 0.877 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000074055475 396156163 /nfs/dbraw/zinc/15/61/63/396156163.db2.gz FXKZHBXLVACYNV-YPMHNXCESA-N 0 0 318.439 0.874 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000176589796 396158312 /nfs/dbraw/zinc/15/83/12/396158312.db2.gz WZEFENFMYFCESU-GJZGRUSLSA-N 0 0 320.389 0.501 10 0 DCAERN Cn1cc(N2CCN(C(=O)NCC3(C)CCC3)CC2=O)cn1 ZINC000176651044 396159068 /nfs/dbraw/zinc/15/90/68/396159068.db2.gz VNMKHSGOVAMEEH-UHFFFAOYSA-N 0 0 305.382 0.969 10 0 DCAERN O=C([C@H]1COCCN1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262630452 396164136 /nfs/dbraw/zinc/16/41/36/396164136.db2.gz MNGNUZVZLRNHCX-NWDGAFQWSA-N 0 0 306.366 0.641 10 0 DCAERN Cn1c2ccc(S(=O)(=O)N3COCC3(C)C)cc2oc1=O ZINC000074883286 396173828 /nfs/dbraw/zinc/17/38/28/396173828.db2.gz HEMBKPMHFLBSPM-UHFFFAOYSA-N 0 0 312.347 0.889 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(CC(F)(F)F)CC1 ZINC000262733026 396176660 /nfs/dbraw/zinc/17/66/60/396176660.db2.gz BUPJFTQVSRXNLV-QMMMGPOBSA-N 0 0 301.259 0.690 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](n2cncn2)C1 ZINC000177616927 396179309 /nfs/dbraw/zinc/17/93/09/396179309.db2.gz RRBXKGPKLDJSHJ-AAEUAGOBSA-N 0 0 318.381 0.388 10 0 DCAERN CCNS(=O)(=O)c1ccc(CNC(=O)CSC)cc1 ZINC000178018682 396187561 /nfs/dbraw/zinc/18/75/61/396187561.db2.gz VKCFGQYLXAYNJF-UHFFFAOYSA-N 0 0 302.421 0.964 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCCc2ccccn2)O1 ZINC000178404517 396195785 /nfs/dbraw/zinc/19/57/85/396195785.db2.gz ARCNFSCPNWIXFE-QWHCGFSZSA-N 0 0 306.366 0.346 10 0 DCAERN CCNc1nc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cs1 ZINC000178406427 396195861 /nfs/dbraw/zinc/19/58/61/396195861.db2.gz DDUDTALALOIXHU-MRVPVSSYSA-N 0 0 303.409 0.834 10 0 DCAERN O=C(CCNC(=O)[C@@H]1CC(F)(F)CN1)NC1CCCCC1 ZINC000263009428 396198030 /nfs/dbraw/zinc/19/80/30/396198030.db2.gz PNVVBQBNZJEWJE-NSHDSACASA-N 0 0 303.353 0.939 10 0 DCAERN CC(C)[C@@H](C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000077897453 396236388 /nfs/dbraw/zinc/23/63/88/396236388.db2.gz XTLQZXJXGCNTIA-JTQLQIEISA-N 0 0 320.436 0.904 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)NCc1cn2c(n1)CCCC2 ZINC000263876466 396238932 /nfs/dbraw/zinc/23/89/32/396238932.db2.gz VKVBIDSGDOLXLP-UHFFFAOYSA-N 0 0 304.350 0.375 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccc[nH]2)cn1C ZINC000181338621 396239148 /nfs/dbraw/zinc/23/91/48/396239148.db2.gz RWGPZGQHWCADAS-UHFFFAOYSA-N 0 0 310.379 0.534 10 0 DCAERN C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCN1S(C)(=O)=O ZINC000181600055 396240503 /nfs/dbraw/zinc/24/05/03/396240503.db2.gz QRJMHDCVGPRCSV-RYUDHWBXSA-N 0 0 308.444 0.128 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000281800630 396241179 /nfs/dbraw/zinc/24/11/79/396241179.db2.gz LRKWSYZLSHFJQN-IINYFYTJSA-N 0 0 303.362 0.924 10 0 DCAERN COCc1ccccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181779090 396241945 /nfs/dbraw/zinc/24/19/45/396241945.db2.gz HHMAQIHUGZYQQX-UHFFFAOYSA-N 0 0 317.349 0.570 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 ZINC000181779469 396242344 /nfs/dbraw/zinc/24/23/44/396242344.db2.gz XMGDIPSLIHSVMW-UHFFFAOYSA-N 0 0 303.322 0.432 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181770776 396242408 /nfs/dbraw/zinc/24/24/08/396242408.db2.gz RMAATPWZZYDKBN-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN Cn1ncc(N2CC[C@H](CCO)C2)c(Br)c1=O ZINC000078366451 396243293 /nfs/dbraw/zinc/24/32/93/396243293.db2.gz ZLDDIXZKWSQTHB-MRVPVSSYSA-N 0 0 302.172 0.752 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cncc(C)c2)CC1 ZINC000182069867 396245841 /nfs/dbraw/zinc/24/58/41/396245841.db2.gz JLOMHCNYTLPCOR-HNNXBMFYSA-N 0 0 306.410 0.988 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000182042917 396246131 /nfs/dbraw/zinc/24/61/31/396246131.db2.gz SWEPJQMUOLGAFH-MRVPVSSYSA-N 0 0 306.244 0.567 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000281959916 396252092 /nfs/dbraw/zinc/25/20/92/396252092.db2.gz VBGYXXSTABVFML-ZWNOBZJWSA-N 0 0 305.382 0.543 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182706698 396252457 /nfs/dbraw/zinc/25/24/57/396252457.db2.gz HVIVGSQZZBUTFK-UHFFFAOYSA-N 0 0 315.399 0.661 10 0 DCAERN CC1(C)CN(CCNC(=O)NCCCn2ccnn2)CCO1 ZINC000182861854 396256034 /nfs/dbraw/zinc/25/60/34/396256034.db2.gz SLZPHQZEKMPHEH-UHFFFAOYSA-N 0 0 310.402 0.078 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)NCCCn2ccnn2)c1 ZINC000182908139 396256800 /nfs/dbraw/zinc/25/68/00/396256800.db2.gz WKKZNIQHRRGLHH-UHFFFAOYSA-N 0 0 317.349 0.352 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)NCCCn1ccnn1 ZINC000182989153 396258481 /nfs/dbraw/zinc/25/84/81/396258481.db2.gz UHHXBXYZEXEIRM-UHFFFAOYSA-N 0 0 311.349 0.743 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCCc1nnc[nH]1)c1cccs1 ZINC000080583549 396282341 /nfs/dbraw/zinc/28/23/41/396282341.db2.gz ARTHUQZKBBAWEQ-SNVBAGLBSA-N 0 0 307.379 0.792 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282071076 396260292 /nfs/dbraw/zinc/26/02/92/396260292.db2.gz ZAYGXRIHPYSZQI-QWRGUYRKSA-N 0 0 320.397 0.548 10 0 DCAERN O=C(NC[C@@H]1COC2(CCOCC2)O1)c1cnn2c1CCCC2 ZINC000183089708 396260623 /nfs/dbraw/zinc/26/06/23/396260623.db2.gz RKMUYTGHEUESRW-GFCCVEGCSA-N 0 0 321.377 0.871 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 ZINC000183158930 396263052 /nfs/dbraw/zinc/26/30/52/396263052.db2.gz GQQCNVPUFPERAF-UHFFFAOYSA-N 0 0 323.378 0.006 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1ccc(F)c(F)c1 ZINC000183161982 396264091 /nfs/dbraw/zinc/26/40/91/396264091.db2.gz VAMJGQIPIKAYPJ-UHFFFAOYSA-N 0 0 302.306 0.925 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000079664102 396268838 /nfs/dbraw/zinc/26/88/38/396268838.db2.gz NBNQWXJSABXSEP-AAEUAGOBSA-N 0 0 318.377 0.982 10 0 DCAERN CNC(=O)[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000184049058 396282861 /nfs/dbraw/zinc/28/28/61/396282861.db2.gz PEQCARISBPVQGK-LBPRGKRZSA-N 0 0 313.304 0.350 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000183518671 396271040 /nfs/dbraw/zinc/27/10/40/396271040.db2.gz PDEFCQUTBBPUPT-CYBMUJFWSA-N 0 0 322.413 0.616 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C(=O)OC)co2)CCN1C[C@@H](C)O ZINC000183803932 396275571 /nfs/dbraw/zinc/27/55/71/396275571.db2.gz BGXHELQIOACNGZ-YPMHNXCESA-N 0 0 324.377 0.983 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)c1 ZINC000263317305 396213881 /nfs/dbraw/zinc/21/38/81/396213881.db2.gz ZRLYHOSJCJPIDC-RYUDHWBXSA-N 0 0 314.336 0.416 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1 ZINC000280699489 396215808 /nfs/dbraw/zinc/21/58/08/396215808.db2.gz AILVCHAOOVMKTR-UHFFFAOYSA-N 0 0 312.395 0.476 10 0 DCAERN CN(C)c1nccc(N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000077487764 396224013 /nfs/dbraw/zinc/22/40/13/396224013.db2.gz JIVGZKLZQGAIHQ-UHFFFAOYSA-N 0 0 319.409 0.618 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000179405818 396226561 /nfs/dbraw/zinc/22/65/61/396226561.db2.gz IUCYWOCIJBOIGS-LLVKDONJSA-N 0 0 313.427 0.120 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000184965000 396312771 /nfs/dbraw/zinc/31/27/71/396312771.db2.gz WFWNUOBZPAXITP-VIFPVBQESA-N 0 0 305.318 0.742 10 0 DCAERN CCNC(=O)NC1(C(=O)NCCCn2ccnn2)CCCC1 ZINC000184989771 396313667 /nfs/dbraw/zinc/31/36/67/396313667.db2.gz LYUGKHNGOJZNLE-UHFFFAOYSA-N 0 0 308.386 0.416 10 0 DCAERN CC1(Cn2cc(C(=O)NCCCN3CCCC3=O)nn2)COC1 ZINC000184130303 396285882 /nfs/dbraw/zinc/28/58/82/396285882.db2.gz KWIOZRYYXPHSGY-UHFFFAOYSA-N 0 0 321.381 0.057 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184203425 396287532 /nfs/dbraw/zinc/28/75/32/396287532.db2.gz GEEJPYIQSVZGLD-GFCCVEGCSA-N 0 0 320.374 0.394 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NC1(c2ccccc2)CCC1 ZINC000185145779 396319871 /nfs/dbraw/zinc/31/98/71/396319871.db2.gz JRCNQYZYCSSAIH-CABCVRRESA-N 0 0 304.390 0.610 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000184546281 396298307 /nfs/dbraw/zinc/29/83/07/396298307.db2.gz CFNFPRBXMGBSFX-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1CCS(C)(=O)=O ZINC000184736205 396303867 /nfs/dbraw/zinc/30/38/67/396303867.db2.gz IOIQPOXHPNLSHA-CYBMUJFWSA-N 0 0 314.382 0.652 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccnn3C)C2)cn1 ZINC000185411178 396327417 /nfs/dbraw/zinc/32/74/17/396327417.db2.gz FATKYZOFYYTRGV-LLVKDONJSA-N 0 0 303.370 0.944 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(OC(F)F)cc1 ZINC000185186234 396321199 /nfs/dbraw/zinc/32/11/99/396321199.db2.gz HUNZYMRZXCCGMX-GHMZBOCLSA-N 0 0 316.304 0.654 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000185182055 396321234 /nfs/dbraw/zinc/32/12/34/396321234.db2.gz BNAYQZMQXLBJCC-CQSZACIVSA-N 0 0 304.325 0.901 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)c1cnc2c(c1)nnn2C ZINC000185227049 396322279 /nfs/dbraw/zinc/32/22/79/396322279.db2.gz JUXYNGCEYYDHEG-SECBINFHSA-N 0 0 305.338 0.825 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCc2nc(C(C)(C)C)no2)C1 ZINC000185240330 396322565 /nfs/dbraw/zinc/32/25/65/396322565.db2.gz ABWMWCWJRFMJAX-UHFFFAOYSA-N 0 0 324.381 0.273 10 0 DCAERN COCC(=O)NC1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C1 ZINC000185275000 396324010 /nfs/dbraw/zinc/32/40/10/396324010.db2.gz ZDOMQFMPRDGTAJ-UHFFFAOYSA-N 0 0 324.352 0.957 10 0 DCAERN C[C@@H](NCC(=O)NC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000185391711 396326541 /nfs/dbraw/zinc/32/65/41/396326541.db2.gz KEGVYBBUQCCMHX-SECBINFHSA-N 0 0 303.322 0.506 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CC[C@](C)(O)C1)CC2 ZINC000185474952 396328961 /nfs/dbraw/zinc/32/89/61/396328961.db2.gz VZYNEJRJOSQIRN-ABAIWWIYSA-N 0 0 307.398 0.883 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000185475044 396328783 /nfs/dbraw/zinc/32/87/83/396328783.db2.gz XIZKGZNNPWVOBH-LLVKDONJSA-N 0 0 322.413 0.494 10 0 DCAERN COCCN1CCN(S(=O)(=O)c2ccc(N)cc2)C[C@H]1C ZINC000186016736 396339469 /nfs/dbraw/zinc/33/94/69/396339469.db2.gz IUXZSYURFNXIPE-GFCCVEGCSA-N 0 0 313.423 0.610 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)NCc3ccnn3C)cc12 ZINC000186042769 396340029 /nfs/dbraw/zinc/34/00/29/396340029.db2.gz ANBRYRKRAGVCOS-UHFFFAOYSA-N 0 0 321.362 0.997 10 0 DCAERN CNC(=O)CC(=O)NCc1ccnc(OCC(F)(F)F)c1 ZINC000185749912 396334357 /nfs/dbraw/zinc/33/43/57/396334357.db2.gz PILRVMILHMLUKU-UHFFFAOYSA-N 0 0 305.256 0.775 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000265671860 396335766 /nfs/dbraw/zinc/33/57/66/396335766.db2.gz GTASFWMWPJWOKK-ZYHUDNBSSA-N 0 0 305.382 0.718 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186215555 396344948 /nfs/dbraw/zinc/34/49/48/396344948.db2.gz MQPGFWLYGZPJJH-LLVKDONJSA-N 0 0 318.377 0.889 10 0 DCAERN COC(=O)c1coc(C(=O)NCc2nnc3n2CCCC3)c1 ZINC000186231833 396345472 /nfs/dbraw/zinc/34/54/72/396345472.db2.gz QRRMITJKCXEMLS-UHFFFAOYSA-N 0 0 304.306 0.924 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cn1C ZINC000186175311 396342914 /nfs/dbraw/zinc/34/29/14/396342914.db2.gz OIPNHMJCUHOHSC-UHFFFAOYSA-N 0 0 312.395 0.018 10 0 DCAERN CN1C(=O)N[C@@H]2CN(CC(=O)N3CCc4ccccc43)CC[C@@H]21 ZINC000285813324 396355693 /nfs/dbraw/zinc/35/56/93/396355693.db2.gz DVIXXIMLXJPUCR-HIFRSBDPSA-N 0 0 314.389 0.674 10 0 DCAERN O=C(NC1CN(C(=O)NCc2nccn2C(F)F)C1)C1CC1 ZINC000186789450 396358360 /nfs/dbraw/zinc/35/83/60/396358360.db2.gz JQXRXYFBVAQETB-UHFFFAOYSA-N 0 0 313.308 0.698 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H](CCO)c1ccco1 ZINC000187827353 396374690 /nfs/dbraw/zinc/37/46/90/396374690.db2.gz WELPFFXSAQTDGF-GFCCVEGCSA-N 0 0 303.318 0.644 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1(CCO)CC1)CC2 ZINC000187115080 396363568 /nfs/dbraw/zinc/36/35/68/396363568.db2.gz XXRMYMHJMJOLPV-NSHDSACASA-N 0 0 307.398 0.617 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000187121348 396363791 /nfs/dbraw/zinc/36/37/91/396363791.db2.gz KUQRPPQTEPVXQE-UHFFFAOYSA-N 0 0 317.389 0.990 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187238795 396365068 /nfs/dbraw/zinc/36/50/68/396365068.db2.gz BSQOWVSEQQHBNF-BDAKNGLRSA-N 0 0 317.349 0.351 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000187713010 396372968 /nfs/dbraw/zinc/37/29/68/396372968.db2.gz WTVKTSWMSVTHNS-UHFFFAOYSA-N 0 0 316.354 0.102 10 0 DCAERN Cn1cc(C(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000187725274 396373629 /nfs/dbraw/zinc/37/36/29/396373629.db2.gz XNUUYPSQGKSHKZ-STQMWFEESA-N 0 0 319.386 0.899 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186445068 396350186 /nfs/dbraw/zinc/35/01/86/396350186.db2.gz IXHGSMYVYRARQH-STQMWFEESA-N 0 0 303.362 0.929 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285516254 396350500 /nfs/dbraw/zinc/35/05/00/396350500.db2.gz MYNZAOSFVPGWLR-VBQJREDUSA-N 0 0 302.374 0.937 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000285697753 396351000 /nfs/dbraw/zinc/35/10/00/396351000.db2.gz WSTZSNWTBRWKEH-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000188308813 396381242 /nfs/dbraw/zinc/38/12/42/396381242.db2.gz AFSIZDFHASRKHF-SDDRHHMPSA-N 0 0 304.412 0.847 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000188511783 396382863 /nfs/dbraw/zinc/38/28/63/396382863.db2.gz QMYAAQHLUHWJEQ-QMMMGPOBSA-N 0 0 310.354 0.467 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000188731537 396384906 /nfs/dbraw/zinc/38/49/06/396384906.db2.gz HNHJLEKDGJQAPJ-HZPDHXFCSA-N 0 0 319.405 0.216 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1=O ZINC000189052544 396390698 /nfs/dbraw/zinc/39/06/98/396390698.db2.gz VGHIZTGBLKSNAW-HNNXBMFYSA-N 0 0 318.373 0.697 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000189312617 396393196 /nfs/dbraw/zinc/39/31/96/396393196.db2.gz OXXFIWIDBNNLML-GFCCVEGCSA-N 0 0 315.373 0.883 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CC(NC(=O)C2CC2)C1 ZINC000189411920 396394938 /nfs/dbraw/zinc/39/49/38/396394938.db2.gz HXDCOYUWMSBQKT-UHFFFAOYSA-N 0 0 309.410 0.226 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189744189 396398376 /nfs/dbraw/zinc/39/83/76/396398376.db2.gz FZYCEORLUKOSTG-GFCCVEGCSA-N 0 0 323.422 0.288 10 0 DCAERN C[C@H](CN1CCN(CC(C)(C)O)[C@@H](C)C1)CS(C)(=O)=O ZINC000189884392 396399936 /nfs/dbraw/zinc/39/99/36/396399936.db2.gz OSLIVXMDCBKQES-OLZOCXBDSA-N 0 0 306.472 0.444 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cn1ncn(C)c1=O ZINC000189957362 396400868 /nfs/dbraw/zinc/40/08/68/396400868.db2.gz NENWVPNRDQHDND-LBPRGKRZSA-N 0 0 302.334 0.530 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000190288879 396404208 /nfs/dbraw/zinc/40/42/08/396404208.db2.gz DVAAQVXFFXCMRZ-LBPRGKRZSA-N 0 0 303.366 0.190 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1=O ZINC000190512612 396407189 /nfs/dbraw/zinc/40/71/89/396407189.db2.gz GRPLJGYZODJNTC-UHFFFAOYSA-N 0 0 311.288 0.343 10 0 DCAERN Cc1nnsc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000190538821 396407803 /nfs/dbraw/zinc/40/78/03/396407803.db2.gz HGFVTMWVDWPFFG-SNVBAGLBSA-N 0 0 306.395 0.979 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190675611 396409761 /nfs/dbraw/zinc/40/97/61/396409761.db2.gz QVWZZVCYEUBVRW-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN COCCN1CCCN(Cc2cn3cccnc3n2)CC1=O ZINC000190781652 396411252 /nfs/dbraw/zinc/41/12/52/396411252.db2.gz DNCFGRFFUNLBBD-UHFFFAOYSA-N 0 0 303.366 0.410 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@H]1CCCc2c(O)cccc21 ZINC000190799966 396411867 /nfs/dbraw/zinc/41/18/67/396411867.db2.gz VZWOAYPPFFDCMB-CJNGLKHVSA-N 0 0 315.417 0.928 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1nnnn1CC(F)(F)F ZINC000190863048 396412575 /nfs/dbraw/zinc/41/25/75/396412575.db2.gz GLJPLXHIHGNOGC-SFYZADRCSA-N 0 0 306.292 0.321 10 0 DCAERN CS(=O)(=O)NCCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000190845861 396412683 /nfs/dbraw/zinc/41/26/83/396412683.db2.gz AWMRLBVUUVSSIG-UHFFFAOYSA-N 0 0 311.407 0.912 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000190940761 396413061 /nfs/dbraw/zinc/41/30/61/396413061.db2.gz KQIRDTOGTUEZOI-LBPRGKRZSA-N 0 0 323.393 0.847 10 0 DCAERN CCOc1cccc(CNC(=O)CN2CCCN(C)C(=O)C2)c1 ZINC000191091901 396415350 /nfs/dbraw/zinc/41/53/50/396415350.db2.gz XCLNHFLFFUSWOM-UHFFFAOYSA-N 0 0 319.405 0.866 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCCN(C)C(=O)C1 ZINC000191154930 396416061 /nfs/dbraw/zinc/41/60/61/396416061.db2.gz QWKYCPBWJLNWJV-NSHDSACASA-N 0 0 318.377 0.277 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1=O ZINC000191514427 396420297 /nfs/dbraw/zinc/42/02/97/396420297.db2.gz CEOAPTJXDUFLEU-UHFFFAOYSA-N 0 0 315.251 0.691 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnc3ccccc3c2)CC1=O ZINC000191512859 396420325 /nfs/dbraw/zinc/42/03/25/396420325.db2.gz ZVTGICYCAOEHIB-UHFFFAOYSA-N 0 0 312.329 0.822 10 0 DCAERN CCOc1ccc(OC[C@@H](O)CN2CC(=O)N(CC)C2)cc1 ZINC000191547960 396421566 /nfs/dbraw/zinc/42/15/66/396421566.db2.gz KVQIXPCSSXWGPO-ZDUSSCGKSA-N 0 0 308.378 0.947 10 0 DCAERN CCN1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1=O ZINC000191566948 396422015 /nfs/dbraw/zinc/42/20/15/396422015.db2.gz DQAPLXBKJGRHKD-UHFFFAOYSA-N 0 0 311.407 0.559 10 0 DCAERN C[C@H](O)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000192437380 396430713 /nfs/dbraw/zinc/43/07/13/396430713.db2.gz MCSWZUSZBDTFTI-RWMBFGLXSA-N 0 0 322.409 0.875 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N(CCO)CC(F)F)c1 ZINC000193038402 396442284 /nfs/dbraw/zinc/44/22/84/396442284.db2.gz MVFSSGJWVZHZAG-UHFFFAOYSA-N 0 0 308.306 0.034 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H](OC)C2)o1 ZINC000187890044 396375882 /nfs/dbraw/zinc/37/58/82/396375882.db2.gz LYETWBNDSVGGEX-ONGXEEELSA-N 0 0 316.379 0.685 10 0 DCAERN CN1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1=O ZINC000188169570 396379834 /nfs/dbraw/zinc/37/98/34/396379834.db2.gz DOXXIKKSUCSTBX-UHFFFAOYSA-N 0 0 315.329 0.939 10 0 DCAERN CC(C)(O)CCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000372300005 396504857 /nfs/dbraw/zinc/50/48/57/396504857.db2.gz FTBDIBJIVYNGLR-UHFFFAOYSA-N 0 0 307.398 0.859 10 0 DCAERN Cn1c(-c2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000580845660 396505637 /nfs/dbraw/zinc/50/56/37/396505637.db2.gz YQIQRXFCWUOEIR-GFCCVEGCSA-N 0 0 300.366 0.398 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000193257548 396447728 /nfs/dbraw/zinc/44/77/28/396447728.db2.gz QVBWFTHZVQJAJO-SSDOTTSWSA-N 0 0 305.256 0.926 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C)cc(C)n2)c1 ZINC000193286987 396448378 /nfs/dbraw/zinc/44/83/78/396448378.db2.gz ZLGNIRJACYBVDI-UHFFFAOYSA-N 0 0 301.350 0.958 10 0 DCAERN CC(=O)N1CCCN(C(=O)NCC(=O)Nc2ccccc2)CC1 ZINC000193426251 396450630 /nfs/dbraw/zinc/45/06/30/396450630.db2.gz NFGYYNVZFWFWTN-UHFFFAOYSA-N 0 0 318.377 0.889 10 0 DCAERN O=C(NC1CCCC1)c1ccc(NC[C@]2(O)CCOC2)nn1 ZINC000269959911 396456606 /nfs/dbraw/zinc/45/66/06/396456606.db2.gz IXNJCDQDBWKBGF-OAHLLOKOSA-N 0 0 306.366 0.712 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371828404 396477903 /nfs/dbraw/zinc/47/79/03/396477903.db2.gz IEJMSVNNQBZLFL-OAHLLOKOSA-N 0 0 317.389 0.731 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCCOc1ccccc1 ZINC000371833459 396478269 /nfs/dbraw/zinc/47/82/69/396478269.db2.gz ABKXORAXSBVIDG-OAHLLOKOSA-N 0 0 319.405 0.198 10 0 DCAERN CC(C)(C)n1cnc(-c2nc([C@H]3CN4CCN3CC4)no2)n1 ZINC000291080410 396478783 /nfs/dbraw/zinc/47/87/83/396478783.db2.gz NJTFIYYVGPJAEJ-SNVBAGLBSA-N 0 0 303.370 0.755 10 0 DCAERN Cc1nc(SCCC(=O)N2CCN3CCOC[C@H]3C2)n[nH]1 ZINC000371863989 396479083 /nfs/dbraw/zinc/47/90/83/396479083.db2.gz JTKZMUIRSYEXAQ-LLVKDONJSA-N 0 0 311.411 0.138 10 0 DCAERN CC(C)Oc1nccnc1N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000372014782 396483003 /nfs/dbraw/zinc/48/30/03/396483003.db2.gz BSIVANWSDYDZOU-CQSZACIVSA-N 0 0 305.338 0.394 10 0 DCAERN Cn1c2cc(O)c(NC(=O)C3(O)CCCC3)cc2n(C)c1=O ZINC000291447706 396491356 /nfs/dbraw/zinc/49/13/56/396491356.db2.gz CGCWVFFDOYPJGH-UHFFFAOYSA-N 0 0 305.334 0.826 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000372475246 396520127 /nfs/dbraw/zinc/52/01/27/396520127.db2.gz STCVTHUKTDHHHN-ABAIWWIYSA-N 0 0 324.381 0.281 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(-n2cncn2)cc1 ZINC000372646778 396533975 /nfs/dbraw/zinc/53/39/75/396533975.db2.gz CSVUFOUCRPAPCO-LSDHHAIUSA-N 0 0 316.361 0.766 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000372673148 396536780 /nfs/dbraw/zinc/53/67/80/396536780.db2.gz LYBITIWCKMDFBJ-AGIUHOORSA-N 0 0 314.407 0.314 10 0 DCAERN O=C(NCCOCC1CCC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000581284633 396540808 /nfs/dbraw/zinc/54/08/08/396540808.db2.gz MDDSWYOBQUIWKU-LBPRGKRZSA-N 0 0 304.412 0.680 10 0 DCAERN CN(C)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000372823943 396547909 /nfs/dbraw/zinc/54/79/09/396547909.db2.gz VKNPDLUZKDRLHJ-LBPRGKRZSA-N 0 0 305.382 0.696 10 0 DCAERN NS(=O)(=O)C1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000372836732 396549161 /nfs/dbraw/zinc/54/91/61/396549161.db2.gz HCOBIWOAGNMWCH-ZDUSSCGKSA-N 0 0 320.361 0.751 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)Nc1ccc(=O)[nH]c1 ZINC000292596419 396558462 /nfs/dbraw/zinc/55/84/62/396558462.db2.gz WJUQTDOWXLSDTD-SECBINFHSA-N 0 0 302.377 0.646 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc(=O)[nH]1 ZINC000373199899 396574192 /nfs/dbraw/zinc/57/41/92/396574192.db2.gz BXJHIFLOHDCOAA-ZDUSSCGKSA-N 0 0 319.361 0.605 10 0 DCAERN CN1CCN(C(=O)NCCCc2nnc3ccccn32)CC1=O ZINC000530679239 396580932 /nfs/dbraw/zinc/58/09/32/396580932.db2.gz YJYRZEINLXODSC-UHFFFAOYSA-N 0 0 316.365 0.146 10 0 DCAERN O=C(c1ccnnc1)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000373281735 396581052 /nfs/dbraw/zinc/58/10/52/396581052.db2.gz AMPVQIGGCQXJKX-ZDUSSCGKSA-N 0 0 300.293 0.929 10 0 DCAERN COC(=O)c1ccc(=O)n(C[C@@H]2COc3ccccc3O2)n1 ZINC000585732051 396651462 /nfs/dbraw/zinc/65/14/62/396651462.db2.gz RUNPJMSPZISRRE-SNVBAGLBSA-N 0 0 302.286 0.870 10 0 DCAERN Cc1cc(NCCCN2CCCS2(=O)=O)n2ncnc2n1 ZINC000585744880 396651948 /nfs/dbraw/zinc/65/19/48/396651948.db2.gz OALZNYOHOPPEOZ-UHFFFAOYSA-N 0 0 310.383 0.270 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)C1 ZINC000374302268 396654244 /nfs/dbraw/zinc/65/42/44/396654244.db2.gz MMYHLWXLCVUHJV-UMSGYPCISA-N 0 0 318.439 0.729 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000532265702 396600481 /nfs/dbraw/zinc/60/04/81/396600481.db2.gz SCOJTCIWZZPLLH-UMVBOHGHSA-N 0 0 312.377 0.937 10 0 DCAERN CNC(=O)Cc1noc(CN2CCC[C@H]2C(=O)OC(C)C)n1 ZINC000533379016 396601807 /nfs/dbraw/zinc/60/18/07/396601807.db2.gz XJSLFQUKKYMCGL-JTQLQIEISA-N 0 0 310.354 0.274 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N2CCCCC2=O)C1 ZINC000373833499 396616621 /nfs/dbraw/zinc/61/66/21/396616621.db2.gz UXWWVDZVGIWGHM-LRDDRELGSA-N 0 0 309.410 0.762 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C(C)C ZINC000560490032 396616680 /nfs/dbraw/zinc/61/66/80/396616680.db2.gz UPIPAAUCMFFUQB-UPJWGTAASA-N 0 0 302.415 0.421 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000560606758 396621388 /nfs/dbraw/zinc/62/13/88/396621388.db2.gz TXCSROAUVJOEIG-RYUDHWBXSA-N 0 0 306.370 0.307 10 0 DCAERN CCn1cc(NC(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000585820957 396661567 /nfs/dbraw/zinc/66/15/67/396661567.db2.gz DAWJSXFJLSVRPW-UHFFFAOYSA-N 0 0 315.399 0.450 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NC[C@H]1CCCOC1 ZINC000586594539 396661579 /nfs/dbraw/zinc/66/15/79/396661579.db2.gz IOLHDVQZQIHHOE-GFCCVEGCSA-N 0 0 319.427 0.138 10 0 DCAERN Cn1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000374958630 396700816 /nfs/dbraw/zinc/70/08/16/396700816.db2.gz ATKNIFKEGFMSNJ-LBPRGKRZSA-N 0 0 306.410 0.874 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000375076648 396709823 /nfs/dbraw/zinc/70/98/23/396709823.db2.gz FJYSFWCAQIMCFD-ILXRZTDVSA-N 0 0 323.437 0.424 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)[C@@H]1C(N)=O ZINC000298618088 396710686 /nfs/dbraw/zinc/71/06/86/396710686.db2.gz OXLWXPYNJSCOQY-OAACRXHESA-N 0 0 320.345 0.316 10 0 DCAERN O=C(NC1CC1)[C@@H](O)C1CCN(c2ncc(Cl)cn2)CC1 ZINC000299750355 396714214 /nfs/dbraw/zinc/71/42/14/396714214.db2.gz NFBSJSVLCRBBOI-LBPRGKRZSA-N 0 0 310.785 0.986 10 0 DCAERN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000375174962 396715866 /nfs/dbraw/zinc/71/58/66/396715866.db2.gz IQUMQNQDCHWTJC-LLVKDONJSA-N 0 0 306.326 0.096 10 0 DCAERN NC(=O)CN1CCC(Nc2nccn3c2nnc3C2CC2)CC1 ZINC000302225142 396718863 /nfs/dbraw/zinc/71/88/63/396718863.db2.gz VESZPLJQWXIAIS-UHFFFAOYSA-N 0 0 315.381 0.363 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375239203 396721235 /nfs/dbraw/zinc/72/12/35/396721235.db2.gz TULKDYIRPMYWFW-ZDUSSCGKSA-N 0 0 307.325 0.307 10 0 DCAERN COc1cc(OC)c2ncnc(N3CC[C@H](C(N)=O)C3)c2c1 ZINC000302743274 396721997 /nfs/dbraw/zinc/72/19/97/396721997.db2.gz RHMCBIKENTZPKP-VIFPVBQESA-N 0 0 302.334 0.959 10 0 DCAERN CNC(=O)c1ccc(CN2CCOC[C@@H]2c2nc[nH]n2)cc1 ZINC000375272373 396723397 /nfs/dbraw/zinc/72/33/97/396723397.db2.gz NLCQYQGTUCCGDI-CYBMUJFWSA-N 0 0 301.350 0.738 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cncnc1CC ZINC000562349568 396659138 /nfs/dbraw/zinc/65/91/38/396659138.db2.gz DAPKOINTXCXFDW-ZJUUUORDSA-N 0 0 322.365 0.225 10 0 DCAERN CC(=O)c1ccc(CC(=O)NC[C@@]2(OCCO)CCOC2)cc1 ZINC000617714493 396786319 /nfs/dbraw/zinc/78/63/19/396786319.db2.gz JHTXAQKCHLPSCJ-KRWDZBQOSA-N 0 0 321.373 0.716 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCN(C3CC3)C(=O)C2)ccn1 ZINC000610579706 396732032 /nfs/dbraw/zinc/73/20/32/396732032.db2.gz LSDYYRQRGMBGPP-UHFFFAOYSA-N 0 0 303.318 0.315 10 0 DCAERN CS(=O)(=O)NCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375424217 396742464 /nfs/dbraw/zinc/74/24/64/396742464.db2.gz GFROLTPNWKZMFI-SNVBAGLBSA-N 0 0 300.384 0.286 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)C(=O)c1ncc2c(F)cccn21 ZINC000633916987 396743960 /nfs/dbraw/zinc/74/39/60/396743960.db2.gz UPPJCXPMJLNRSX-LLVKDONJSA-N 0 0 306.341 0.876 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375491581 396758601 /nfs/dbraw/zinc/75/86/01/396758601.db2.gz YKCDLLKEMUKISQ-SNVBAGLBSA-N 0 0 316.336 0.779 10 0 DCAERN O=C(NCCCn1cc(Br)cn1)[C@@H]1CNC(=O)C1 ZINC000310964894 396760540 /nfs/dbraw/zinc/76/05/40/396760540.db2.gz AZUCFTPFOFWJLR-QMMMGPOBSA-N 0 0 315.171 0.288 10 0 DCAERN CC1(C)CN(CC(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000633987132 396764273 /nfs/dbraw/zinc/76/42/73/396764273.db2.gz JYWSJYPNIWAHEI-SECBINFHSA-N 0 0 305.304 0.840 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000563708317 396770505 /nfs/dbraw/zinc/77/05/05/396770505.db2.gz LFOUWCMXHWCNCU-AWEZNQCLSA-N 0 0 322.390 0.503 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2ncc[nH]2)c(C)c1 ZINC000611157899 396825854 /nfs/dbraw/zinc/82/58/54/396825854.db2.gz KLQSFHGKKBXRLD-UHFFFAOYSA-N 0 0 309.347 0.983 10 0 DCAERN Cn1cnnc1[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1 ZINC000328629244 396827205 /nfs/dbraw/zinc/82/72/05/396827205.db2.gz IATSTYFFOPKWIF-HUUCEWRRSA-N 0 0 302.378 0.792 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C[C@H](O)C(F)(F)F)C1)C2 ZINC000328636071 396828676 /nfs/dbraw/zinc/82/86/76/396828676.db2.gz NVROHWIYGROFMM-JTQLQIEISA-N 0 0 319.331 0.264 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000375881137 396838483 /nfs/dbraw/zinc/83/84/83/396838483.db2.gz ZYLGOTULZHZCCF-WWGRRREGSA-N 0 0 314.426 0.519 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccncc1C ZINC000625355555 396845674 /nfs/dbraw/zinc/84/56/74/396845674.db2.gz FEFFNENBIUEZAZ-UHFFFAOYSA-N 0 0 320.393 0.560 10 0 DCAERN COC(=O)c1cc(C(=O)NC[C@H](CO)c2ccccc2)on1 ZINC000611591980 396893401 /nfs/dbraw/zinc/89/34/01/396893401.db2.gz SVMJLRSASXHJFH-LLVKDONJSA-N 0 0 304.302 0.967 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000376281145 396904924 /nfs/dbraw/zinc/90/49/24/396904924.db2.gz JYECIZTVMOJUSK-DRZSPHRISA-N 0 0 312.435 0.917 10 0 DCAERN Cc1nnsc1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000333001253 396914388 /nfs/dbraw/zinc/91/43/88/396914388.db2.gz USFFVPGCWNRQAG-GHMZBOCLSA-N 0 0 311.411 0.461 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630039487 396927644 /nfs/dbraw/zinc/92/76/44/396927644.db2.gz FQIYIDAHZQQKHK-KGLIPLIRSA-N 0 0 314.426 0.125 10 0 DCAERN O=C(N[C@@H]1CCc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000333711089 396931228 /nfs/dbraw/zinc/93/12/28/396931228.db2.gz MDWRDMZONRRUIM-DGCLKSJQSA-N 0 0 307.371 0.735 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000611862736 396939962 /nfs/dbraw/zinc/93/99/62/396939962.db2.gz PXTVKTGHDNWNEY-SNVBAGLBSA-N 0 0 315.757 0.211 10 0 DCAERN COc1ccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000625625258 396958471 /nfs/dbraw/zinc/95/84/71/396958471.db2.gz PTHRTWOOCXLVFA-ZIAGYGMSSA-N 0 0 304.350 0.448 10 0 DCAERN CN(C)[C@H](CNC(=O)N1CC[C@@H](CC(N)=O)C1)c1ccco1 ZINC000376801025 396980430 /nfs/dbraw/zinc/98/04/30/396980430.db2.gz OMXVOUAFPVYNJR-NWDGAFQWSA-N 0 0 308.382 0.789 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000341754303 396981734 /nfs/dbraw/zinc/98/17/34/396981734.db2.gz NYJDHXAVZAUPGL-WUCCLRPBSA-N 0 0 324.421 0.897 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408056554 292102509 /nfs/dbraw/zinc/10/25/09/292102509.db2.gz IVRMMLZCQWDREV-TZMCWYRMSA-N 0 0 320.393 0.577 10 0 DCAERN CC(C)n1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)n1 ZINC000618678963 397011766 /nfs/dbraw/zinc/01/17/66/397011766.db2.gz ROGHDCCXZKSFCN-LLVKDONJSA-N 0 0 314.411 0.570 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000612489750 397070597 /nfs/dbraw/zinc/07/05/97/397070597.db2.gz IMONANRGYVPVBP-ZSEKCTLFSA-N 0 0 308.403 0.581 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000630571323 397048398 /nfs/dbraw/zinc/04/83/98/397048398.db2.gz MCRLCBLOJVSLSJ-KBPBESRZSA-N 0 0 305.378 0.521 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000630571262 397048455 /nfs/dbraw/zinc/04/84/55/397048455.db2.gz LGBKOLMTAGZKPA-CABCVRRESA-N 0 0 319.405 0.769 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)NC2CC(CO)(CO)C2)c1 ZINC000626417142 397158843 /nfs/dbraw/zinc/15/88/43/397158843.db2.gz DAAJQLUSOSUAIP-UHFFFAOYSA-N 0 0 321.377 0.924 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCc2nnc3ccccn32)C1 ZINC000377930364 397165626 /nfs/dbraw/zinc/16/56/26/397165626.db2.gz CPOPMNLZEGQLGS-OAHLLOKOSA-N 0 0 301.350 0.604 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nnc2n1CCCC2 ZINC000572903065 397111227 /nfs/dbraw/zinc/11/12/27/397111227.db2.gz SHLGGTYOVGTNJL-HNNXBMFYSA-N 0 0 317.349 0.166 10 0 DCAERN CC(C)[C@H](NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)C(F)(F)F ZINC000626532297 397185694 /nfs/dbraw/zinc/18/56/94/397185694.db2.gz UIMNAZAAEQGYPP-BBBLOLIVSA-N 0 0 321.303 0.792 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N[C@@H]2CCN(CC)C2=O)nc1C ZINC000619802617 397195079 /nfs/dbraw/zinc/19/50/79/397195079.db2.gz LFRUOQSTFHJTHN-CYBMUJFWSA-N 0 0 319.361 0.917 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000378129336 397197779 /nfs/dbraw/zinc/19/77/79/397197779.db2.gz AEJDMAYHGPBECL-ZWNOBZJWSA-N 0 0 300.380 0.319 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2c(C)[nH]c(C(=O)OC)c2C)C1=O ZINC000619825482 397198054 /nfs/dbraw/zinc/19/80/54/397198054.db2.gz OVLZZKMQMNPVOB-SNVBAGLBSA-N 0 0 307.350 0.769 10 0 DCAERN CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cncc(COC)c1 ZINC000613189158 397213051 /nfs/dbraw/zinc/21/30/51/397213051.db2.gz ZUHXBATXAJDCRA-ZDUSSCGKSA-N 0 0 310.350 0.878 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000364550602 397220049 /nfs/dbraw/zinc/22/00/49/397220049.db2.gz HSOFHDGEWYBBJY-MNOVXSKESA-N 0 0 304.394 0.985 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000364561584 397221775 /nfs/dbraw/zinc/22/17/75/397221775.db2.gz DOZREMYZPQVNGS-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN CCCN1CC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000365352958 397270122 /nfs/dbraw/zinc/27/01/22/397270122.db2.gz CNOSGIQMMNAJEY-LBPRGKRZSA-N 0 0 309.366 0.441 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1 ZINC000381173425 397270465 /nfs/dbraw/zinc/27/04/65/397270465.db2.gz OOQLGMFYMGTNNW-SNVBAGLBSA-N 0 0 310.297 0.989 10 0 DCAERN CC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1nccs1 ZINC000382380931 397274351 /nfs/dbraw/zinc/27/43/51/397274351.db2.gz RHDAGSGHICJSPJ-ZJUUUORDSA-N 0 0 305.425 0.502 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCc3c(cccc3C(N)=O)C2)C1 ZINC000620896798 397316378 /nfs/dbraw/zinc/31/63/78/397316378.db2.gz XHAMJAPBLNDSCY-UHFFFAOYSA-N 0 0 301.346 0.149 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1 ZINC000365530609 397291764 /nfs/dbraw/zinc/29/17/64/397291764.db2.gz AGHOAGBIFWBMET-VXGBXAGGSA-N 0 0 305.382 0.769 10 0 DCAERN Cn1cc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])nn1 ZINC000389954015 397298239 /nfs/dbraw/zinc/29/82/39/397298239.db2.gz VRHLBNKWJDMGFK-UHFFFAOYSA-N 0 0 301.266 0.984 10 0 DCAERN CC(=O)CSCC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000601887272 397261328 /nfs/dbraw/zinc/26/13/28/397261328.db2.gz BLLLBLDLBLPVLT-UHFFFAOYSA-N 0 0 322.434 0.486 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000407963670 397338902 /nfs/dbraw/zinc/33/89/02/397338902.db2.gz DFIAZXOJULAEBP-UWVGGRQHSA-N 0 0 307.441 0.073 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000407967391 397340782 /nfs/dbraw/zinc/34/07/82/397340782.db2.gz QJEQKVJMAMLMJS-NEPJUHHUSA-N 0 0 313.423 0.425 10 0 DCAERN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058434 397345021 /nfs/dbraw/zinc/34/50/21/397345021.db2.gz JDOACKAAMNNKMS-ZUZCIYMTSA-N 0 0 309.366 0.128 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000366169548 397347009 /nfs/dbraw/zinc/34/70/09/397347009.db2.gz IMSWNIRLWAZQJV-RISCZKNCSA-N 0 0 314.407 0.016 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2cncnc2C1 ZINC000408147411 397348488 /nfs/dbraw/zinc/34/84/88/397348488.db2.gz FETJZUHQWWEWAO-UHFFFAOYSA-N 0 0 307.379 0.574 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cn1 ZINC000408241134 397351395 /nfs/dbraw/zinc/35/13/95/397351395.db2.gz HWGHYYCVCONLIJ-WDEREUQCSA-N 0 0 300.384 0.010 10 0 DCAERN O[C@@H]1COCC[C@@H]1Nc1ncc(I)cn1 ZINC000599175129 397353676 /nfs/dbraw/zinc/35/36/76/397353676.db2.gz AAXQIBZFDRTXKR-JGVFFNPUSA-N 0 0 321.118 0.643 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CC([C@H]3CCOC3)C2)cn1 ZINC000366230362 397354190 /nfs/dbraw/zinc/35/41/90/397354190.db2.gz LSMZFEPBVSZDNG-NSHDSACASA-N 0 0 318.377 0.581 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccn(C)c1=O ZINC000408406508 397355867 /nfs/dbraw/zinc/35/58/67/397355867.db2.gz UJQUFXHMFSDKTF-SNVBAGLBSA-N 0 0 302.338 0.942 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)N[C@H]2CCC(=O)N[C@H]2C)CC[S@@]1=O ZINC000408427108 397356617 /nfs/dbraw/zinc/35/66/17/397356617.db2.gz MMNSNKUGXXHCST-WBGSPAEQSA-N 0 0 301.412 0.204 10 0 DCAERN C[C@@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)S(C)(=O)=O ZINC000366589990 397382672 /nfs/dbraw/zinc/38/26/72/397382672.db2.gz VQVWSKDAAOUUPV-GXFFZTMASA-N 0 0 305.396 0.216 10 0 DCAERN O=C1CO[C@@H]2CCN(S(=O)(=O)c3ccccc3F)C[C@@H]2N1 ZINC000366584792 397382787 /nfs/dbraw/zinc/38/27/87/397382787.db2.gz SYGGQGWJLRDUMU-WDEREUQCSA-N 0 0 314.338 0.104 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)nn1 ZINC000614105265 397383728 /nfs/dbraw/zinc/38/37/28/397383728.db2.gz KTOJRVJFCBEQGK-YPMHNXCESA-N 0 0 309.345 0.125 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@H]2CN(c3ccccc3)C2=O)CC1 ZINC000577407032 397329581 /nfs/dbraw/zinc/32/95/81/397329581.db2.gz AHKPOYSURAUKHC-LBPRGKRZSA-N 0 0 301.346 0.386 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1ccncc1Br ZINC000599385930 397424829 /nfs/dbraw/zinc/42/48/29/397424829.db2.gz JFDAVYXCBZISGY-GXSJLCMTSA-N 0 0 315.167 0.952 10 0 DCAERN Cc1cccc(N2CCN(C(=O)C(=O)N(C)CCCO)CC2)c1 ZINC000459875800 397437754 /nfs/dbraw/zinc/43/77/54/397437754.db2.gz CGUDFVPLGSXQKD-UHFFFAOYSA-N 0 0 319.405 0.484 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CC[C@H]1C(=O)OC)CC2 ZINC000367569500 397403914 /nfs/dbraw/zinc/40/39/14/397403914.db2.gz BLJXQXCQSPNAOQ-IJLUTSLNSA-N 0 0 309.362 0.987 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccsc1 ZINC000487097751 397465651 /nfs/dbraw/zinc/46/56/51/397465651.db2.gz PTUMRZHPDNZRNZ-UWVGGRQHSA-N 0 0 312.391 0.863 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000370237233 397459071 /nfs/dbraw/zinc/45/90/71/397459071.db2.gz YKMLESQTLXZJAE-QWHCGFSZSA-N 0 0 324.406 0.241 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NC[C@@H](O)C2CCOCC2)[nH]n1 ZINC000487538404 397476263 /nfs/dbraw/zinc/47/62/63/397476263.db2.gz MESXELQQRVXLMI-IINYFYTJSA-N 0 0 310.398 0.736 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)COC(C)(C)C ZINC000488301533 397488832 /nfs/dbraw/zinc/48/88/32/397488832.db2.gz WCEVWZXTWHXQDW-UWVGGRQHSA-N 0 0 302.371 0.374 10 0 DCAERN CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](OC)C2)c1C ZINC000578801744 397486159 /nfs/dbraw/zinc/48/61/59/397486159.db2.gz UAYZWQGIEZBKDJ-CHWSQXEVSA-N 0 0 322.409 0.820 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000578795235 397486674 /nfs/dbraw/zinc/48/66/74/397486674.db2.gz YCPHUAJLXMTDMK-TYUFSLCMSA-N 0 0 300.424 0.963 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)C(F)(F)F ZINC000488269775 397488045 /nfs/dbraw/zinc/48/80/45/397488045.db2.gz ZYJZIYRMXCWIAJ-CSMHCCOUSA-N 0 0 312.288 0.757 10 0 DCAERN NC(=O)COc1ccc(C(=O)N2CCSC[C@H]2CCO)cc1 ZINC000494926746 397535069 /nfs/dbraw/zinc/53/50/69/397535069.db2.gz ZCCRIAMJJVJOMA-GFCCVEGCSA-N 0 0 324.402 0.491 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000603286304 397593111 /nfs/dbraw/zinc/59/31/11/397593111.db2.gz ZVIMLTCFQYAWFQ-VIFPVBQESA-N 0 0 311.400 0.297 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@@H]1COc2ccccc21 ZINC000603467282 397612592 /nfs/dbraw/zinc/61/25/92/397612592.db2.gz AFQIXEHGLUMHKW-CYBMUJFWSA-N 0 0 324.402 0.704 10 0 DCAERN CCCc1noc(CN2CCN(Cc3nnc(C)[nH]3)CC2)n1 ZINC000605422358 397664405 /nfs/dbraw/zinc/66/44/05/397664405.db2.gz XOZPCBMNKCACSJ-UHFFFAOYSA-N 0 0 305.386 0.766 10 0 DCAERN C[C@@H]1C[C@@H](C)N(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000607179339 397698298 /nfs/dbraw/zinc/69/82/98/397698298.db2.gz WGVCARUFYCGIIT-VXGBXAGGSA-N 0 0 303.428 0.852 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ccncc3F)CC2)[nH]1 ZINC000607343649 397701334 /nfs/dbraw/zinc/70/13/34/397701334.db2.gz DQIPMISKDNLLPT-UHFFFAOYSA-N 0 0 304.329 0.605 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@@H](COC)C(C)C)cn1C ZINC000608029075 397714427 /nfs/dbraw/zinc/71/44/27/397714427.db2.gz SGSOYIAFJXUCIT-NSHDSACASA-N 0 0 317.411 0.334 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C12CCOCC2 ZINC000186460273 286275358 /nfs/dbraw/zinc/27/53/58/286275358.db2.gz AJQGDSVOQLDEFH-CHWSQXEVSA-N 0 0 321.377 0.818 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)CN(C)S(C)(=O)=O)CCO2)o1 ZINC000133941945 292271589 /nfs/dbraw/zinc/27/15/89/292271589.db2.gz RISBZWQAWUCPOI-GFCCVEGCSA-N 0 0 316.379 0.379 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)NCCOCC1CCC1 ZINC000558654162 288453222 /nfs/dbraw/zinc/45/32/22/288453222.db2.gz OHQAORAHQWPLBL-UHFFFAOYSA-N 0 0 308.382 0.908 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)NC1(CC(N)=O)CCC1 ZINC000408437260 289449596 /nfs/dbraw/zinc/44/95/96/289449596.db2.gz RVHWZMMIXUPQSJ-UHFFFAOYSA-N 0 0 303.428 0.883 10 0 DCAERN Cc1ccc2c(c1O)N[C@@H](O)[C@@H]1CC(/C=C/C(N)=O)=CN1C2=O ZINC000005782171 292377358 /nfs/dbraw/zinc/37/73/58/292377358.db2.gz VGQOVCHZGQWAOI-HYUHUPJXSA-N 0 0 315.329 0.584 10 0 in-man DCAERN NC(=O)c1ccc(CNC(=O)NCCCN2CCCC2=O)cc1 ZINC000047595831 158004108 /nfs/dbraw/zinc/00/41/08/158004108.db2.gz BTPMBTXILJOKFC-UHFFFAOYSA-N 0 0 318.377 0.597 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cscn1 ZINC000050405150 158011771 /nfs/dbraw/zinc/01/17/71/158011771.db2.gz LIONKZFPPCSFBL-UHFFFAOYSA-N 0 0 300.347 0.978 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000051994793 158015151 /nfs/dbraw/zinc/01/51/51/158015151.db2.gz WUPHEUBNMKUBKQ-OLZOCXBDSA-N 0 0 318.439 0.468 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCNC(=O)CC1 ZINC000054258131 158020148 /nfs/dbraw/zinc/02/01/48/158020148.db2.gz HUTLQVWTDAZWRN-RYUDHWBXSA-N 0 0 310.398 0.213 10 0 DCAERN COCCCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000058755244 158027447 /nfs/dbraw/zinc/02/74/47/158027447.db2.gz CWSSBPPIIQCRHX-UHFFFAOYSA-N 0 0 319.361 0.623 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cn1C ZINC000066100941 158034473 /nfs/dbraw/zinc/03/44/73/158034473.db2.gz PSNBPONVHCEIBL-JTQLQIEISA-N 0 0 314.411 0.408 10 0 DCAERN COc1cccc(CNC(=O)[C@H](C)N2CCNC(=O)CC2)c1 ZINC000065955255 158034578 /nfs/dbraw/zinc/03/45/78/158034578.db2.gz QQLHHXUPUUVUDK-LBPRGKRZSA-N 0 0 305.378 0.522 10 0 DCAERN O=C(c1ccc(N2CCCC2=O)cc1)N1CCNC(=O)CC1 ZINC000065903381 158035183 /nfs/dbraw/zinc/03/51/83/158035183.db2.gz QVPIEKYXKUUKQA-UHFFFAOYSA-N 0 0 301.346 0.776 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000068521458 158043739 /nfs/dbraw/zinc/04/37/39/158043739.db2.gz GYRXJZRRNXVFEH-NWDGAFQWSA-N 0 0 300.403 0.050 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000072710450 158052144 /nfs/dbraw/zinc/05/21/44/158052144.db2.gz MAXWCIUQLUYDDL-CYBMUJFWSA-N 0 0 311.407 0.968 10 0 DCAERN CN(C(=O)NCC1CCN(S(C)(=O)=O)CC1)C1CCC1 ZINC000073944735 158057576 /nfs/dbraw/zinc/05/75/76/158057576.db2.gz DOIGCUXJCGOLIK-UHFFFAOYSA-N 0 0 303.428 0.852 10 0 DCAERN O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000075051648 158060855 /nfs/dbraw/zinc/06/08/55/158060855.db2.gz BXMCPAALUPSVPN-LBPRGKRZSA-N 0 0 308.407 0.352 10 0 DCAERN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NC1CCOCC1 ZINC000076292116 158065178 /nfs/dbraw/zinc/06/51/78/158065178.db2.gz YIJFTWBSRLRIEM-HNNXBMFYSA-N 0 0 317.389 0.194 10 0 DCAERN NC(=O)COc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077162068 158067287 /nfs/dbraw/zinc/06/72/87/158067287.db2.gz BQQLTLZBSCLZCS-JSGCOSHPSA-N 0 0 306.362 0.832 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000077620374 158069238 /nfs/dbraw/zinc/06/92/38/158069238.db2.gz FRHVQTQNTSUDJH-ZDUSSCGKSA-N 0 0 324.425 0.651 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000077829222 158069973 /nfs/dbraw/zinc/06/99/73/158069973.db2.gz SRCDGICEGQSOSP-AAEUAGOBSA-N 0 0 308.444 0.906 10 0 DCAERN COc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)nn1 ZINC000078120197 158071517 /nfs/dbraw/zinc/07/15/17/158071517.db2.gz OEWWFGCXVVWWBL-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000079042165 158076385 /nfs/dbraw/zinc/07/63/85/158076385.db2.gz YZMBEGMHRNIRNB-RYUDHWBXSA-N 0 0 308.382 0.060 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)NCCc1nnc[nH]1 ZINC000080585065 158081099 /nfs/dbraw/zinc/08/10/99/158081099.db2.gz RKUVHVNYEOEHEV-UHFFFAOYSA-N 0 0 308.363 0.571 10 0 DCAERN Cc1nnc([C@@H](NC(=O)[C@H]2CN(C)CCO2)c2ccccc2)[nH]1 ZINC000081028736 158082986 /nfs/dbraw/zinc/08/29/86/158082986.db2.gz OJQJATRBNKIDNB-KGLIPLIRSA-N 0 0 315.377 0.649 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC1CCOCC1 ZINC000081568563 158085185 /nfs/dbraw/zinc/08/51/85/158085185.db2.gz GZGRTYIITLINEZ-LLVKDONJSA-N 0 0 300.399 0.944 10 0 DCAERN Cn1nc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)ccc1=O ZINC000081651473 158085704 /nfs/dbraw/zinc/08/57/04/158085704.db2.gz IRTOREQCPQAFIN-ZDUSSCGKSA-N 0 0 321.377 0.581 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000081848017 158085913 /nfs/dbraw/zinc/08/59/13/158085913.db2.gz GXMHAYVXSISDKY-CYBMUJFWSA-N 0 0 321.377 0.914 10 0 DCAERN CNS(=O)(=O)CC(=O)NCC1(O)CCC(C(C)(C)C)CC1 ZINC000083611436 158087741 /nfs/dbraw/zinc/08/77/41/158087741.db2.gz WKOCRMRRRSQWBO-UHFFFAOYSA-N 0 0 320.455 0.619 10 0 DCAERN Cc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000084273884 158089052 /nfs/dbraw/zinc/08/90/52/158089052.db2.gz RGQNOFHSRBMNNZ-AWEZNQCLSA-N 0 0 307.394 0.947 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)c1 ZINC000089165403 158096408 /nfs/dbraw/zinc/09/64/08/158096408.db2.gz VOWXCKVAIDNMIU-WCQYABFASA-N 0 0 313.375 0.913 10 0 DCAERN Cc1ccccc1SCC(=O)N1CCN(C(=O)CO)CC1 ZINC000089549358 158098761 /nfs/dbraw/zinc/09/87/61/158098761.db2.gz ZAEIITNPAGANLR-UHFFFAOYSA-N 0 0 308.403 0.750 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCC(=O)N(C)C)cnc12 ZINC000091021133 158107106 /nfs/dbraw/zinc/10/71/06/158107106.db2.gz ZJTKWSNYCVQDOX-UHFFFAOYSA-N 0 0 302.334 0.211 10 0 DCAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091784802 158109586 /nfs/dbraw/zinc/10/95/86/158109586.db2.gz ANLFJNURALCTKP-QPUJVOFHSA-N 0 0 314.288 0.445 10 0 DCAERN Cc1c(Cl)cccc1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092229488 158112741 /nfs/dbraw/zinc/11/27/41/158112741.db2.gz GJPHJRLJRKTMCU-GFCCVEGCSA-N 0 0 311.769 0.773 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092642728 158115409 /nfs/dbraw/zinc/11/54/09/158115409.db2.gz FLCMUYKNENOOOA-SKDRFNHKSA-N 0 0 315.333 0.034 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@H](c3cccs3)C2)CC1 ZINC000093189973 158119219 /nfs/dbraw/zinc/11/92/19/158119219.db2.gz JOCZFYRJETXKEI-ZDUSSCGKSA-N 0 0 309.435 0.895 10 0 DCAERN NC(=O)C[C@H](N)C(=O)Nc1cc(Br)ccc1O ZINC000094573753 158122865 /nfs/dbraw/zinc/12/28/65/158122865.db2.gz IKYNYHAKIUCOBG-LURJTMIESA-N 0 0 302.128 0.296 10 0 DCAERN COC[C@@H](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000094794795 158124161 /nfs/dbraw/zinc/12/41/61/158124161.db2.gz BZASRDZABOTSIN-JTQLQIEISA-N 0 0 300.380 0.623 10 0 DCAERN COCCCNC(=O)CN(C)CC(=O)Nc1ccccc1F ZINC000096982275 158124390 /nfs/dbraw/zinc/12/43/90/158124390.db2.gz NUQMSIUGJDJEGA-UHFFFAOYSA-N 0 0 311.357 0.849 10 0 DCAERN CC(C)CCSCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000097727739 158125967 /nfs/dbraw/zinc/12/59/67/158125967.db2.gz STCMKHVJAOSQJK-CYBMUJFWSA-N 0 0 304.456 0.575 10 0 DCAERN CCCNC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867355 158130867 /nfs/dbraw/zinc/13/08/67/158130867.db2.gz RQIKWINRSPFBTM-UHFFFAOYSA-N 0 0 321.425 0.981 10 0 DCAERN CC(C)n1nnnc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870051 158131174 /nfs/dbraw/zinc/13/11/74/158131174.db2.gz HOHVPBFRFNUTOC-UHFFFAOYSA-N 0 0 318.429 0.695 10 0 DCAERN Cc1cc(N2CCN([C@@H](C)C(=O)N(C)C)CC2)n2ncnc2n1 ZINC000105908848 158132631 /nfs/dbraw/zinc/13/26/31/158132631.db2.gz SCZZMDREGJBEJC-LBPRGKRZSA-N 0 0 317.397 0.031 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cnsn3)CC2)no1 ZINC000110946371 158139024 /nfs/dbraw/zinc/13/90/24/158139024.db2.gz VBXVPMGAYSFGKI-UHFFFAOYSA-N 0 0 308.367 0.578 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112655000 158144224 /nfs/dbraw/zinc/14/42/24/158144224.db2.gz GZPHQZXCSJVXNU-DTWKUNHWSA-N 0 0 307.383 0.018 10 0 DCAERN NC(=O)NCCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114558498 158154070 /nfs/dbraw/zinc/15/40/70/158154070.db2.gz FJLNHLLZSUFTMC-GFCCVEGCSA-N 0 0 304.350 0.357 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114859124 158157671 /nfs/dbraw/zinc/15/76/71/158157671.db2.gz QNIXNQDWDOFJTD-CQSZACIVSA-N 0 0 318.373 0.937 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114871161 158159315 /nfs/dbraw/zinc/15/93/15/158159315.db2.gz KKQCSFNWKYWWGT-RYUDHWBXSA-N 0 0 310.398 0.713 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2(O)CCCC2)CC1 ZINC000115713870 158163264 /nfs/dbraw/zinc/16/32/64/158163264.db2.gz SUKOIXSCPICTEV-UHFFFAOYSA-N 0 0 320.437 0.986 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116786935 158167479 /nfs/dbraw/zinc/16/74/79/158167479.db2.gz OQLYJHRMIIQDBE-CYBMUJFWSA-N 0 0 320.455 0.380 10 0 DCAERN CC(C)(C)c1noc(CN2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000116891576 158169111 /nfs/dbraw/zinc/16/91/11/158169111.db2.gz JELIYCNJTXCMFY-SECBINFHSA-N 0 0 302.400 0.491 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000118115844 158176152 /nfs/dbraw/zinc/17/61/52/158176152.db2.gz SIBYKBUTMRNFCK-GFCCVEGCSA-N 0 0 309.341 0.519 10 0 DCAERN Cc1nc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)no1 ZINC000118648823 158177138 /nfs/dbraw/zinc/17/71/38/158177138.db2.gz GBBZJCOXYAWTQO-UHFFFAOYSA-N 0 0 311.301 0.854 10 0 DCAERN CCCCS[C@@H](C)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000119574527 158189774 /nfs/dbraw/zinc/18/97/74/158189774.db2.gz USOJIMXEGYULAD-STQMWFEESA-N 0 0 304.456 0.718 10 0 DCAERN Cc1cnc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cn1 ZINC000119723086 158190399 /nfs/dbraw/zinc/19/03/99/158190399.db2.gz GKDLUBLNQGFVIU-GFCCVEGCSA-N 0 0 324.406 0.425 10 0 DCAERN COCCN1CCN(CCCS(=O)(=O)C(C)C)C[C@@H]1C ZINC000120024543 158192368 /nfs/dbraw/zinc/19/23/68/158192368.db2.gz VFWSQVNDMVTXMO-AWEZNQCLSA-N 0 0 306.472 0.852 10 0 DCAERN O=C(c1cscn1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120099729 158193733 /nfs/dbraw/zinc/19/37/33/158193733.db2.gz LKUVRILCSLZGMY-JTQLQIEISA-N 0 0 315.420 0.783 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC(n2cncn2)CC1 ZINC000120404833 158197788 /nfs/dbraw/zinc/19/77/88/158197788.db2.gz PVLDKSXOZWOYDG-NSHDSACASA-N 0 0 307.398 0.992 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCc3nccc(N)n3)s2)cn1 ZINC000120543837 158200316 /nfs/dbraw/zinc/20/03/16/158200316.db2.gz SEEZURLALMYVJZ-UHFFFAOYSA-N 0 0 315.362 0.846 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000120571541 158200476 /nfs/dbraw/zinc/20/04/76/158200476.db2.gz AJURTORBOOPMQI-UONOGXRCSA-N 0 0 303.362 0.839 10 0 DCAERN CC[C@H](CCO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000120962851 158205539 /nfs/dbraw/zinc/20/55/39/158205539.db2.gz PSDJKJAGVLVJLP-LLVKDONJSA-N 0 0 300.380 0.486 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(CC)CC(C)(C)O)CC2 ZINC000121520227 158211590 /nfs/dbraw/zinc/21/15/90/158211590.db2.gz WCPNXPJZTFBXHW-LLVKDONJSA-N 0 0 309.414 0.958 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1ccc(-n2cncn2)nc1 ZINC000121752508 158214170 /nfs/dbraw/zinc/21/41/70/158214170.db2.gz ICNMINLTHPUCSF-UHFFFAOYSA-N 0 0 323.316 0.426 10 0 DCAERN CCOCCOCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122224772 158220087 /nfs/dbraw/zinc/22/00/87/158220087.db2.gz IBLRIBFWJSYFMW-AWEZNQCLSA-N 0 0 322.409 0.957 10 0 DCAERN CCC1(CO)CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000122555986 158221930 /nfs/dbraw/zinc/22/19/30/158221930.db2.gz VZHRQDNNJOTEER-STQMWFEESA-N 0 0 320.455 0.825 10 0 DCAERN O=S(=O)(c1cccnc1)N1CCN(Cc2ccon2)CC1 ZINC000122754930 158223809 /nfs/dbraw/zinc/22/38/09/158223809.db2.gz RBRIWYLEMAUQGK-UHFFFAOYSA-N 0 0 308.363 0.576 10 0 DCAERN CC[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000123373660 158229429 /nfs/dbraw/zinc/22/94/29/158229429.db2.gz QNGWGIFYSYXPBV-CQSZACIVSA-N 0 0 313.423 0.549 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000123485949 158230370 /nfs/dbraw/zinc/23/03/70/158230370.db2.gz DLYLODYCEMXGCI-SCZZXKLOSA-N 0 0 310.379 0.597 10 0 DCAERN CCOCCOCC(=O)NCCC(=O)NC1CCCCC1 ZINC000123571824 158231334 /nfs/dbraw/zinc/23/13/34/158231334.db2.gz RBNVQMUHSYVSRZ-UHFFFAOYSA-N 0 0 300.399 0.995 10 0 DCAERN O=S(=O)(NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000123614230 158231492 /nfs/dbraw/zinc/23/14/92/158231492.db2.gz YPUJOZLOCBTUCX-CYBMUJFWSA-N 0 0 314.382 0.967 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)NCCCN2CCCC2=O)C1 ZINC000123964996 158235453 /nfs/dbraw/zinc/23/54/53/158235453.db2.gz HTJWXPJNVTVMRC-LBPRGKRZSA-N 0 0 310.398 0.309 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000124168270 158238792 /nfs/dbraw/zinc/23/87/92/158238792.db2.gz JZNLDDKUWLDPCN-HUUCEWRRSA-N 0 0 304.390 0.965 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000124553629 158243534 /nfs/dbraw/zinc/24/35/34/158243534.db2.gz KAOPCJVDDHEJNS-UHFFFAOYSA-N 0 0 319.390 0.821 10 0 DCAERN CC[C@@H]1CN(C(=O)CN2CCCC2=O)CCN1CC(F)F ZINC000124985346 158249380 /nfs/dbraw/zinc/24/93/80/158249380.db2.gz LYUSAHBQVYJNFS-LLVKDONJSA-N 0 0 303.353 0.797 10 0 DCAERN C[C@H](CNC(=O)C[C@@H]1c2ccccc2NC1=O)N1CCOCC1 ZINC000125076049 158250586 /nfs/dbraw/zinc/25/05/86/158250586.db2.gz KGWAUWVULZEAHN-TZMCWYRMSA-N 0 0 317.389 0.949 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1cccs1 ZINC000125394347 158254762 /nfs/dbraw/zinc/25/47/62/158254762.db2.gz AYTPPBDCJWOYRN-UWVGGRQHSA-N 0 0 309.391 0.590 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000126111837 158261873 /nfs/dbraw/zinc/26/18/73/158261873.db2.gz SZOPHGYPHGTCIN-CMPLNLGQSA-N 0 0 323.372 0.609 10 0 DCAERN CN(C)S(=O)(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000127943062 158276808 /nfs/dbraw/zinc/27/68/08/158276808.db2.gz RZSHUYIAHGOPPX-SECBINFHSA-N 0 0 304.803 0.710 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000131722131 158304044 /nfs/dbraw/zinc/30/40/44/158304044.db2.gz CUDLBSTZKCGCDH-IUCAKERBSA-N 0 0 304.368 0.277 10 0 DCAERN Cn1cc([C@]2(C)CN(c3ccnc(C(N)=O)c3)CCO2)cn1 ZINC000132751568 158314293 /nfs/dbraw/zinc/31/42/93/158314293.db2.gz HSNKCXXXHBVWTO-HNNXBMFYSA-N 0 0 301.350 0.666 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3ccsc3C2)C1 ZINC000132969098 158315142 /nfs/dbraw/zinc/31/51/42/158315142.db2.gz ZVZMQMAEHMEHOI-GFCCVEGCSA-N 0 0 307.419 0.830 10 0 DCAERN Cn1cc(N2CCC[C@H](Nc3cncc(OCCO)n3)C2)cn1 ZINC000132925532 158315182 /nfs/dbraw/zinc/31/51/82/158315182.db2.gz KIYOIGVZIKCPNJ-LBPRGKRZSA-N 0 0 318.381 0.662 10 0 DCAERN COCCOCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133456256 158319163 /nfs/dbraw/zinc/31/91/63/158319163.db2.gz QUOAMUXPWDZZKP-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000133403180 158319471 /nfs/dbraw/zinc/31/94/71/158319471.db2.gz GHNWNVQXABOAGY-AAEUAGOBSA-N 0 0 304.346 0.590 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COC[C@@H]1CCOC1)CC2 ZINC000133944967 158322962 /nfs/dbraw/zinc/32/29/62/158322962.db2.gz HWKFJHIFPVCNMD-OLZOCXBDSA-N 0 0 322.409 0.886 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)C1CCOCC1 ZINC000134933240 158332023 /nfs/dbraw/zinc/33/20/23/158332023.db2.gz FFBGQCMDTSTJSB-HIFRSBDPSA-N 0 0 311.426 0.918 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@H]1CCC(=O)N1 ZINC000134959874 158332583 /nfs/dbraw/zinc/33/25/83/158332583.db2.gz LQSFEPQDFCNFCH-LLVKDONJSA-N 0 0 308.407 0.681 10 0 DCAERN C[C@H](NC(=O)c1ccc(N)cc1Cl)C(=O)N1CCOCC1 ZINC000135268911 158334940 /nfs/dbraw/zinc/33/49/40/158334940.db2.gz DNYACLJUANAZSW-VIFPVBQESA-N 0 0 311.769 0.899 10 0 DCAERN CC(C)OC(=O)CCN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135728889 158340453 /nfs/dbraw/zinc/34/04/53/158340453.db2.gz JIAXZYMPQXBQAW-ZDUSSCGKSA-N 0 0 318.439 0.828 10 0 DCAERN CCN(CC)C(=O)C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000136064321 158341410 /nfs/dbraw/zinc/34/14/10/158341410.db2.gz JAUDHYZGMRNFBO-INIZCTEOSA-N 0 0 310.486 0.957 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000150792162 158348017 /nfs/dbraw/zinc/34/80/17/158348017.db2.gz IEYDIEHGTPUPHI-NWDGAFQWSA-N 0 0 308.382 0.576 10 0 DCAERN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000155707596 158350721 /nfs/dbraw/zinc/35/07/21/158350721.db2.gz ZBVFCXRRNFFMJN-WCQYABFASA-N 0 0 304.346 0.713 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000154602484 158350812 /nfs/dbraw/zinc/35/08/12/158350812.db2.gz OTCUQCFZGLPUJK-CQSZACIVSA-N 0 0 322.409 0.399 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000154602591 158351068 /nfs/dbraw/zinc/35/10/68/158351068.db2.gz OTCUQCFZGLPUJK-AWEZNQCLSA-N 0 0 322.409 0.399 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000161576034 158357589 /nfs/dbraw/zinc/35/75/89/158357589.db2.gz ZOYUMXCVLYVCNI-VIFPVBQESA-N 0 0 302.400 0.047 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000163057278 158361465 /nfs/dbraw/zinc/36/14/65/158361465.db2.gz CFUVMDJYSIOARE-GFCCVEGCSA-N 0 0 319.409 0.874 10 0 DCAERN COC(=O)c1nc(N2CCN(S(C)(=O)=O)CC2)sc1C ZINC000164664122 158363238 /nfs/dbraw/zinc/36/32/38/158363238.db2.gz KUMKFCGRESQRBI-UHFFFAOYSA-N 0 0 319.408 0.320 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1OC ZINC000170216301 158373802 /nfs/dbraw/zinc/37/38/02/158373802.db2.gz BTAXFKBTUYIJTA-KRWDZBQOSA-N 0 0 318.373 0.985 10 0 DCAERN CN(C(=O)C(=O)NCCCN1CCCC1=O)C1CCCCC1 ZINC000170315786 158374538 /nfs/dbraw/zinc/37/45/38/158374538.db2.gz BUDREKRNQDVWIM-UHFFFAOYSA-N 0 0 309.410 0.906 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)NC(C1CC1)C1CC1 ZINC000170649509 158374912 /nfs/dbraw/zinc/37/49/12/158374912.db2.gz BWNBDHIYRPRAEW-UHFFFAOYSA-N 0 0 315.421 0.903 10 0 DCAERN CN1CCO[C@H](CNC(=O)CNC(=O)CCC2CCCC2)C1 ZINC000170683757 158376200 /nfs/dbraw/zinc/37/62/00/158376200.db2.gz NBRFCUMLVSQVRQ-CQSZACIVSA-N 0 0 311.426 0.520 10 0 DCAERN CC[C@H](C(=O)OC)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171627912 158384149 /nfs/dbraw/zinc/38/41/49/158384149.db2.gz CGRDITDYHKJQDD-GFCCVEGCSA-N 0 0 318.381 0.506 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171641003 158385574 /nfs/dbraw/zinc/38/55/74/158385574.db2.gz WAHYSZOYALIDHW-NSHDSACASA-N 0 0 324.406 0.101 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000172005021 158389721 /nfs/dbraw/zinc/38/97/21/158389721.db2.gz QTTSEYBYSQPHQI-YPMHNXCESA-N 0 0 301.346 0.849 10 0 DCAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000172232725 158392105 /nfs/dbraw/zinc/39/21/05/158392105.db2.gz IIWKDFVPVIGCGL-NSHDSACASA-N 0 0 303.428 0.852 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CN1CCCCCC1=O)CC2 ZINC000172255482 158392567 /nfs/dbraw/zinc/39/25/67/158392567.db2.gz WJUHNLHEJUXWJX-GFCCVEGCSA-N 0 0 319.409 0.674 10 0 DCAERN CCOCCS(=O)(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000172261946 158393116 /nfs/dbraw/zinc/39/31/16/158393116.db2.gz YQUFJJDGMRTVJX-JTQLQIEISA-N 0 0 302.400 0.111 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000172275092 158393280 /nfs/dbraw/zinc/39/32/80/158393280.db2.gz MLCDBQLEVQKBGI-VXGBXAGGSA-N 0 0 303.428 0.299 10 0 DCAERN Nc1cc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc(Cl)n1 ZINC000172360946 158394176 /nfs/dbraw/zinc/39/41/76/158394176.db2.gz BXGXUBQDUOSQMY-LLVKDONJSA-N 0 0 310.785 0.910 10 0 DCAERN O=C(N[C@H]1CCCOC1)N1CCC(c2ccnn2CCO)CC1 ZINC000172584763 158396687 /nfs/dbraw/zinc/39/66/87/158396687.db2.gz GJDJQJMCLSJUAX-AWEZNQCLSA-N 0 0 322.409 0.943 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755686 158398764 /nfs/dbraw/zinc/39/87/64/158398764.db2.gz IRMILCBKWMNBNM-CQSZACIVSA-N 0 0 311.426 0.616 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC000173478070 158406592 /nfs/dbraw/zinc/40/65/92/158406592.db2.gz IEHCEVRICXONSH-VIFPVBQESA-N 0 0 303.366 0.492 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000173509466 158406689 /nfs/dbraw/zinc/40/66/89/158406689.db2.gz HPHCBFGQUXBOTP-ZDUSSCGKSA-N 0 0 315.443 0.803 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000174136463 158414848 /nfs/dbraw/zinc/41/48/48/158414848.db2.gz CFHKDXDAEVXPRK-LLVKDONJSA-N 0 0 303.370 0.926 10 0 DCAERN Cc1noc(CCNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000175743178 158429149 /nfs/dbraw/zinc/42/91/49/158429149.db2.gz AUXWRGSQIOYQAN-AAEUAGOBSA-N 0 0 323.397 0.283 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000176056642 158433244 /nfs/dbraw/zinc/43/32/44/158433244.db2.gz PVMLDHLGTZYBQL-UHFFFAOYSA-N 0 0 317.349 0.768 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](COC)C1 ZINC000176182765 158434570 /nfs/dbraw/zinc/43/45/70/158434570.db2.gz DOROADMGBJRUDB-RYUDHWBXSA-N 0 0 323.397 0.732 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCc1c(C)noc1C ZINC000176542975 158438601 /nfs/dbraw/zinc/43/86/01/158438601.db2.gz RHXCUYWKTCPOQZ-UHFFFAOYSA-N 0 0 303.384 0.232 10 0 DCAERN CC(C)OC(=O)[C@@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177339476 158446681 /nfs/dbraw/zinc/44/66/81/158446681.db2.gz YRTAPOQDGYYPKH-WDEREUQCSA-N 0 0 309.370 1.000 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOC(C)C ZINC000183745960 158502668 /nfs/dbraw/zinc/50/26/68/158502668.db2.gz WZUQXBFTXKBHJB-NSHDSACASA-N 0 0 311.386 0.984 10 0 DCAERN O=C(NCC1(CO)CCC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000184876874 158512272 /nfs/dbraw/zinc/51/22/72/158512272.db2.gz LLMRCHVJEONQEH-CYBMUJFWSA-N 0 0 319.409 0.907 10 0 DCAERN O=C(N1CCN(c2cccs2)C(=O)C1)[C@@]1(O)CCSC1 ZINC000186242821 158529212 /nfs/dbraw/zinc/52/92/12/158529212.db2.gz HRMXURPOPOKWRN-CYBMUJFWSA-N 0 0 312.416 0.791 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCC(C)(CO)CC2)C[C@H](C)O1 ZINC000186402703 158530533 /nfs/dbraw/zinc/53/05/33/158530533.db2.gz RHHJINOMNBAOOV-RYUDHWBXSA-N 0 0 306.428 0.435 10 0 DCAERN COC(=O)c1ccccc1CCn1nc(C(N)=O)ccc1=O ZINC000186603310 158533021 /nfs/dbraw/zinc/53/30/21/158533021.db2.gz JIOAWXBYRZANKD-UHFFFAOYSA-N 0 0 301.302 0.372 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000188885041 158547843 /nfs/dbraw/zinc/54/78/43/158547843.db2.gz QFEKGEWRWLGZRC-SNVBAGLBSA-N 0 0 318.333 0.999 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000188936052 158548401 /nfs/dbraw/zinc/54/84/01/158548401.db2.gz DEYRRIMDLIGNIL-SNVBAGLBSA-N 0 0 300.322 0.013 10 0 DCAERN C[C@H](CC(=O)N1CCCNC(=O)[C@@H]1C)NC(=O)C1CCCC1 ZINC000188919308 158548470 /nfs/dbraw/zinc/54/84/70/158548470.db2.gz WTFJPWAHVXXYQB-NEPJUHHUSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)n[nH]1 ZINC000189179083 158550231 /nfs/dbraw/zinc/55/02/31/158550231.db2.gz JWSNOMNLRWZOQT-GFCCVEGCSA-N 0 0 314.411 0.349 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190181573 158558401 /nfs/dbraw/zinc/55/84/01/158558401.db2.gz RUOJDUFTKKZLTE-VXGBXAGGSA-N 0 0 323.397 0.984 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOCC(F)F)C[C@H]1N1CCOCC1 ZINC000190298311 158559340 /nfs/dbraw/zinc/55/93/40/158559340.db2.gz KLVLNVDZVMJRMK-VXGBXAGGSA-N 0 0 321.368 0.630 10 0 DCAERN CN1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1=O ZINC000190626680 158562200 /nfs/dbraw/zinc/56/22/00/158562200.db2.gz JZZJBOKDQMOSQJ-UHFFFAOYSA-N 0 0 316.361 0.521 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(C(C)=O)cn2C)CC1=O ZINC000190968091 158564784 /nfs/dbraw/zinc/56/47/84/158564784.db2.gz BQKFORXYPRTBLB-UHFFFAOYSA-N 0 0 321.377 0.549 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191038707 158565231 /nfs/dbraw/zinc/56/52/31/158565231.db2.gz GYLMRDCIVCSNQT-UHFFFAOYSA-N 0 0 308.338 0.175 10 0 DCAERN COc1c(CN2CC[C@H](C)S(=O)(=O)CC2)c(C)nn1C ZINC000192049188 158573210 /nfs/dbraw/zinc/57/32/10/158573210.db2.gz ZVDZJYYVKMPPKQ-JTQLQIEISA-N 0 0 301.412 0.746 10 0 DCAERN Cn1nccc1CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000192876542 158578907 /nfs/dbraw/zinc/57/89/07/158578907.db2.gz XLIBKFNXSZERDP-RKDXNWHRSA-N 0 0 304.272 0.493 10 0 DCAERN Cn1cc(S(=O)(=O)N[C@@H]2COc3ccccc32)cc1C(N)=O ZINC000194623315 158599062 /nfs/dbraw/zinc/59/90/62/158599062.db2.gz VIADOZAGUMXVOH-LLVKDONJSA-N 0 0 321.358 0.536 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCC1CCOCC1 ZINC000194695878 158600008 /nfs/dbraw/zinc/60/00/08/158600008.db2.gz HJEURPQEAOUGFY-UHFFFAOYSA-N 0 0 301.346 0.939 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429037 158611282 /nfs/dbraw/zinc/61/12/82/158611282.db2.gz YNRKSRAGYFKAGN-ZJUUUORDSA-N 0 0 317.415 0.472 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246260484 158660614 /nfs/dbraw/zinc/66/06/14/158660614.db2.gz ZDNMPRFLPOWVDV-CYZMBNFOSA-N 0 0 318.377 0.741 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 ZINC000248819305 158697745 /nfs/dbraw/zinc/69/77/45/158697745.db2.gz IWMFXUCVQMKMDP-WCQGTBRESA-N 0 0 313.379 0.382 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000249731339 158709670 /nfs/dbraw/zinc/70/96/70/158709670.db2.gz AIUQLJYNBGZBND-VWYCJHECSA-N 0 0 307.350 0.510 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)C(=O)N1CCCC[C@H]1C ZINC000263110270 158856749 /nfs/dbraw/zinc/85/67/49/158856749.db2.gz AFBPQKHXLJTLBO-VWYCJHECSA-N 0 0 303.353 0.889 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC([C@H](C)O)CC1 ZINC000300260127 158978361 /nfs/dbraw/zinc/97/83/61/158978361.db2.gz LKFRQADYPXTXFG-UHTWSYAYSA-N 0 0 319.423 0.751 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C[C@@H]1O ZINC000305768579 158992741 /nfs/dbraw/zinc/99/27/41/158992741.db2.gz UZGVXXNOBAOLBG-IPYPFGDCSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000305861249 158994318 /nfs/dbraw/zinc/99/43/18/158994318.db2.gz ZJFYRDSRNNMHAU-WPRPVWTQSA-N 0 0 318.420 0.684 10 0 DCAERN CCc1nsc(N2CCN([C@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328635599 159016604 /nfs/dbraw/zinc/01/66/04/159016604.db2.gz CCVGRYDAVFLTND-LBPRGKRZSA-N 0 0 321.450 0.986 10 0 DCAERN C[C@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660476 159017741 /nfs/dbraw/zinc/01/77/41/159017741.db2.gz VLJIEOZWKCQDTC-UKRRQHHQSA-N 0 0 304.394 0.275 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000328665445 159018745 /nfs/dbraw/zinc/01/87/45/159018745.db2.gz CEVCUWQYOXHGLQ-GRYCIOLGSA-N 0 0 301.412 0.459 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328662883 159018774 /nfs/dbraw/zinc/01/87/74/159018774.db2.gz XPNUFNDKOLMIQX-QWRGUYRKSA-N 0 0 302.396 0.921 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673300 159019411 /nfs/dbraw/zinc/01/94/11/159019411.db2.gz OZWGHDIQWQALNF-JKSUJKDBSA-N 0 0 318.421 0.964 10 0 DCAERN Cc1cnn(C[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672395 159019612 /nfs/dbraw/zinc/01/96/12/159019612.db2.gz OGPBFLYMHCSIDI-GJZGRUSLSA-N 0 0 304.394 0.656 10 0 DCAERN Cc1csc([C@@H]2CN(C(=O)C3(O)CCOCC3)CCO2)n1 ZINC000328701069 159022389 /nfs/dbraw/zinc/02/23/89/159022389.db2.gz WLSSKECLUOKJDE-NSHDSACASA-N 0 0 312.391 0.893 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000328744390 159025757 /nfs/dbraw/zinc/02/57/57/159025757.db2.gz KMVVRWOZWQMIAI-KBPBESRZSA-N 0 0 311.426 0.303 10 0 DCAERN CO[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@H]1OC ZINC000328739027 159025762 /nfs/dbraw/zinc/02/57/62/159025762.db2.gz HTUAQAIFCPFGLE-VXGBXAGGSA-N 0 0 302.334 0.958 10 0 DCAERN C[C@@H](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1=O ZINC000328750158 159026449 /nfs/dbraw/zinc/02/64/49/159026449.db2.gz QKJUKNHGACJOHJ-NWDGAFQWSA-N 0 0 316.423 0.423 10 0 DCAERN Cc1cc(COCC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)on1 ZINC000328905463 159040107 /nfs/dbraw/zinc/04/01/07/159040107.db2.gz KAKPRLBUXJZLAT-ZIAGYGMSSA-N 0 0 309.366 0.431 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)COC[C@H]1CCOC1 ZINC000329009164 159051991 /nfs/dbraw/zinc/05/19/91/159051991.db2.gz ZWUWYEGOCRYEMD-KBPBESRZSA-N 0 0 323.393 0.980 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@H]2c2nc(C)no2)n1 ZINC000329054854 159055687 /nfs/dbraw/zinc/05/56/87/159055687.db2.gz XMJUJCKNZSIRSM-LBPRGKRZSA-N 0 0 318.333 0.924 10 0 DCAERN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(C2CC2)CC1 ZINC000329056182 159056651 /nfs/dbraw/zinc/05/66/51/159056651.db2.gz SNDMRRGPSGNSQF-KBPBESRZSA-N 0 0 319.405 0.468 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000329143106 159066510 /nfs/dbraw/zinc/06/65/10/159066510.db2.gz VKAWBFPYUSYMBI-CJNGLKHVSA-N 0 0 320.393 0.109 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC000329156768 159068454 /nfs/dbraw/zinc/06/84/54/159068454.db2.gz CBJSRMBVWSMVLO-UONOGXRCSA-N 0 0 301.350 0.274 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(C)n(C)n3)CCO2)c1 ZINC000329239664 159075900 /nfs/dbraw/zinc/07/59/00/159075900.db2.gz MDGXGHQRXOCQBD-CYBMUJFWSA-N 0 0 303.366 0.775 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCOC[C@H](C3CCC3)C2)O1 ZINC000329238649 159076090 /nfs/dbraw/zinc/07/60/90/159076090.db2.gz PUZKEGVNVPDSJP-KFWWJZLASA-N 0 0 324.421 0.897 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CCC[C@@H](n2cncn2)C1 ZINC000329256662 159076680 /nfs/dbraw/zinc/07/66/80/159076680.db2.gz XQYRIPWKHUTCIQ-OLZOCXBDSA-N 0 0 314.411 0.814 10 0 DCAERN Cn1[nH]c(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)nc1=O ZINC000329279229 159079117 /nfs/dbraw/zinc/07/91/17/159079117.db2.gz LNSDLNRYBMLQJN-GFCCVEGCSA-N 0 0 307.335 0.342 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000329295228 159080601 /nfs/dbraw/zinc/08/06/01/159080601.db2.gz JXPBRECUDBWIGX-OLZOCXBDSA-N 0 0 306.366 0.869 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCC[C@H](Cn2cncn2)C1 ZINC000329290632 159080657 /nfs/dbraw/zinc/08/06/57/159080657.db2.gz QNGIHWRVMFHQHQ-LBPRGKRZSA-N 0 0 311.349 0.873 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCO[C@H](C)C2)nn1 ZINC000329308870 159081259 /nfs/dbraw/zinc/08/12/59/159081259.db2.gz BTVVQDBKCBFNHO-RAIGVLPGSA-N 0 0 310.354 0.115 10 0 DCAERN O=C1[C@H](Nc2cncc3nncn32)CCN1C1CCOCC1 ZINC000329299791 159081501 /nfs/dbraw/zinc/08/15/01/159081501.db2.gz MCVFJNIRYVNMCL-LLVKDONJSA-N 0 0 302.338 0.316 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000329328356 159083354 /nfs/dbraw/zinc/08/33/54/159083354.db2.gz KLURABDWDSPFGG-RAIGVLPGSA-N 0 0 324.381 0.504 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC000329339465 159083834 /nfs/dbraw/zinc/08/38/34/159083834.db2.gz NSFJFVDZEAEDRI-MNOVXSKESA-N 0 0 321.381 0.462 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)[C@@H]1COC[C@H]1O ZINC000329375457 159087333 /nfs/dbraw/zinc/08/73/33/159087333.db2.gz LJQCZWXBNJXREN-AAVRWANBSA-N 0 0 305.378 0.372 10 0 DCAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@H](C)N3CCOCC3)c1-2 ZINC000329435942 159091931 /nfs/dbraw/zinc/09/19/31/159091931.db2.gz IYZKRJVALJYZCQ-VIFPVBQESA-N 0 0 306.370 0.518 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN2CCOC[C@@H]2C1 ZINC000329471011 159095368 /nfs/dbraw/zinc/09/53/68/159095368.db2.gz YRGKYICEEGBKQJ-NSHDSACASA-N 0 0 317.345 0.824 10 0 DCAERN O=S(=O)(N1CC(n2ccnn2)C1)N1CCc2ccccc2C1 ZINC000329520687 159099282 /nfs/dbraw/zinc/09/92/82/159099282.db2.gz FLSHHSKYQHMSDC-UHFFFAOYSA-N 0 0 319.390 0.438 10 0 DCAERN Cc1nc(CN2CCN(C(=O)COC[C@@H]3CCOC3)CC2)no1 ZINC000329553513 159101570 /nfs/dbraw/zinc/10/15/70/159101570.db2.gz KDHYENCDHAPNGC-CYBMUJFWSA-N 0 0 324.381 0.075 10 0 DCAERN C[C@@H]1CCCN(C(=O)c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000329559150 159101780 /nfs/dbraw/zinc/10/17/80/159101780.db2.gz FNFOMHRLXHMFPB-VXGBXAGGSA-N 0 0 305.382 0.614 10 0 DCAERN c1ncn2c1C[C@@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329592994 159105283 /nfs/dbraw/zinc/10/52/83/159105283.db2.gz CBCAFPXOLNCRBM-WCQYABFASA-N 0 0 300.366 0.668 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCOC4(CCOCC4)C3)cnc21 ZINC000329591429 159105831 /nfs/dbraw/zinc/10/58/31/159105831.db2.gz ZYDRDXYGFHYUHM-UHFFFAOYSA-N 0 0 316.361 0.990 10 0 DCAERN COc1cc(N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)ncn1 ZINC000329612227 159106212 /nfs/dbraw/zinc/10/62/12/159106212.db2.gz DLPXLQRTPZUNHI-CYBMUJFWSA-N 0 0 317.393 0.371 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)CC1=O ZINC000329638820 159108266 /nfs/dbraw/zinc/10/82/66/159108266.db2.gz WGKJDNOOSFOTRG-MXWKQRLJSA-N 0 0 305.382 0.772 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000329646439 159109212 /nfs/dbraw/zinc/10/92/12/159109212.db2.gz BATNPESVGFQGRC-UONOGXRCSA-N 0 0 308.382 0.570 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1 ZINC000329664988 159110166 /nfs/dbraw/zinc/11/01/66/159110166.db2.gz PSTYZYAHPIUWFV-WLYUNCDWSA-N 0 0 316.467 0.895 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000329678784 159111546 /nfs/dbraw/zinc/11/15/46/159111546.db2.gz VTHFLJLDRNSOMI-AWEZNQCLSA-N 0 0 317.455 0.370 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329722999 159114238 /nfs/dbraw/zinc/11/42/38/159114238.db2.gz CPIWDEYEJCKPAM-CORIIIEPSA-N 0 0 313.357 0.626 10 0 DCAERN CCN1C[C@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC1=O ZINC000329750947 159117675 /nfs/dbraw/zinc/11/76/75/159117675.db2.gz VGLNRDJNZMZXJK-MJBXVCDLSA-N 0 0 309.410 0.034 10 0 DCAERN COc1c(CNS(=O)(=O)NC2CCCC2)c(C)nn1C ZINC000329814512 159121148 /nfs/dbraw/zinc/12/11/48/159121148.db2.gz DTPBFGURKFSWNF-UHFFFAOYSA-N 0 0 302.400 0.604 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000329825859 159121525 /nfs/dbraw/zinc/12/15/25/159121525.db2.gz CCAMERFEAQRVRE-GXTWGEPZSA-N 0 0 310.394 0.794 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329859028 159124511 /nfs/dbraw/zinc/12/45/11/159124511.db2.gz WKNQWOBFVUCARR-AWEZNQCLSA-N 0 0 318.439 0.845 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000329864583 159124564 /nfs/dbraw/zinc/12/45/64/159124564.db2.gz SSIDYRQBMFSBRK-JQWIXIFHSA-N 0 0 304.350 0.580 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000329977084 159133167 /nfs/dbraw/zinc/13/31/67/159133167.db2.gz FWRALTCYPQSWDJ-SNVBAGLBSA-N 0 0 315.333 0.369 10 0 DCAERN CCc1nc(C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)co1 ZINC000330009883 159135095 /nfs/dbraw/zinc/13/50/95/159135095.db2.gz HQZAJZULUMMUQI-GFCCVEGCSA-N 0 0 319.365 0.987 10 0 DCAERN CCCN1CCCN(C(=O)c2cnn3ccncc23)CC1=O ZINC000330067715 159139588 /nfs/dbraw/zinc/13/95/88/159139588.db2.gz UQUIPKIDERLCCA-UHFFFAOYSA-N 0 0 301.350 0.814 10 0 DCAERN O=C([C@H]1CCCO1)N1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090971 159140741 /nfs/dbraw/zinc/14/07/41/159140741.db2.gz XHPFHWZRTKFNSA-ZIAGYGMSSA-N 0 0 307.394 0.073 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H]1OC ZINC000330156275 159146413 /nfs/dbraw/zinc/14/64/13/159146413.db2.gz YSAFXTYZOVKNBN-RUZUBIRVSA-N 0 0 309.366 0.370 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CC[C@@H](CO)C1 ZINC000330224075 159151197 /nfs/dbraw/zinc/15/11/97/159151197.db2.gz SQTVTIOEGYSBTQ-KGLIPLIRSA-N 0 0 318.439 0.422 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnn2ncccc12 ZINC000330235608 159153157 /nfs/dbraw/zinc/15/31/57/159153157.db2.gz TYZPBGHFAKEOAL-TZMCWYRMSA-N 0 0 315.377 0.665 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000330235568 159153302 /nfs/dbraw/zinc/15/33/02/159153302.db2.gz YWCOMYYYOJGLGF-JHJVBQTASA-N 0 0 324.381 0.387 10 0 DCAERN CCn1cncc1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000330267535 159155109 /nfs/dbraw/zinc/15/51/09/159155109.db2.gz QPTGXCNAZXKPJK-GFCCVEGCSA-N 0 0 314.411 0.045 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000330304247 159158468 /nfs/dbraw/zinc/15/84/68/159158468.db2.gz PWCVINLZBJFPEB-SOUVJXGZSA-N 0 0 320.393 0.337 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330547734 159190555 /nfs/dbraw/zinc/19/05/55/159190555.db2.gz ZVCLUBCYPQIVAS-ZYHUDNBSSA-N 0 0 309.366 0.535 10 0 DCAERN CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 ZINC000330566879 159194660 /nfs/dbraw/zinc/19/46/60/159194660.db2.gz LDVLQMXUDFZODD-QWRGUYRKSA-N 0 0 318.299 0.941 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)O1 ZINC000332838868 159214533 /nfs/dbraw/zinc/21/45/33/159214533.db2.gz NUUXYPUVSJTHMI-ZWUHOBOKSA-N 0 0 310.394 0.696 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000365014410 159277138 /nfs/dbraw/zinc/27/71/38/159277138.db2.gz HKBJOHPXNVRREO-YPMHNXCESA-N 0 0 319.361 0.600 10 0 DCAERN CC1(C)CN(CC(=O)Nc2nncs2)C[C@]2(CCOC2)O1 ZINC000366868647 159293636 /nfs/dbraw/zinc/29/36/36/159293636.db2.gz AFEXFOABCCPTJX-ZDUSSCGKSA-N 0 0 312.395 0.747 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1C[C@H](F)C[C@@H]1CO)OCO2 ZINC000366860777 159293949 /nfs/dbraw/zinc/29/39/49/159293949.db2.gz CQHRMUOWXCMVCN-NXEZZACHSA-N 0 0 317.338 0.817 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN([C@@H]3CCOC3)CC2)[nH]1 ZINC000367175673 159319039 /nfs/dbraw/zinc/31/90/39/159319039.db2.gz ZOFAIGOXHWBTKK-GFCCVEGCSA-N 0 0 315.377 0.813 10 0 DCAERN COC[C@@H](O)CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000367175564 159319320 /nfs/dbraw/zinc/31/93/20/159319320.db2.gz YKXADHWISQMQJW-WDEREUQCSA-N 0 0 314.382 0.367 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000367401135 159336662 /nfs/dbraw/zinc/33/66/62/159336662.db2.gz FRIOHKQNBBMAMJ-RYUDHWBXSA-N 0 0 314.407 0.710 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000367486871 159340625 /nfs/dbraw/zinc/34/06/25/159340625.db2.gz VLHCDMJKLHZWFP-IJLUTSLNSA-N 0 0 304.412 0.340 10 0 DCAERN Cc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2=O)o1 ZINC000367948696 159366321 /nfs/dbraw/zinc/36/63/21/159366321.db2.gz WCPHLIUKQJMELD-LLVKDONJSA-N 0 0 305.334 0.384 10 0 DCAERN C[C@H](OCC(=O)N1CCOCC(F)(F)C1)c1nccn1C ZINC000367968145 159366874 /nfs/dbraw/zinc/36/68/74/159366874.db2.gz LQYOXHCYKMSCTE-JTQLQIEISA-N 0 0 303.309 0.992 10 0 DCAERN CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(CO)C3)ccc21 ZINC000368358019 159389396 /nfs/dbraw/zinc/38/93/96/159389396.db2.gz PTSGYIJPZJAOIE-UHFFFAOYSA-N 0 0 324.402 0.599 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000371632158 159577888 /nfs/dbraw/zinc/57/78/88/159577888.db2.gz GAEQLRDKWJNNBE-XQQFMLRXSA-N 0 0 312.366 0.034 10 0 DCAERN COc1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c(C)n1 ZINC000371833728 159588347 /nfs/dbraw/zinc/58/83/47/159588347.db2.gz CVMFWMYQSNDGMB-LBPRGKRZSA-N 0 0 306.366 0.947 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1=O ZINC000372060429 159600065 /nfs/dbraw/zinc/60/00/65/159600065.db2.gz IORSLWVHUFQOCK-GXTWGEPZSA-N 0 0 319.361 0.706 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(Cn2cncn2)CC1 ZINC000375307959 159783661 /nfs/dbraw/zinc/78/36/61/159783661.db2.gz XDLSOROIBLSENC-GFCCVEGCSA-N 0 0 313.427 0.719 10 0 DCAERN COCC(=O)NC1CN(C(=O)Nc2cccc3c2OCCC3)C1 ZINC000375421910 159791283 /nfs/dbraw/zinc/79/12/83/159791283.db2.gz NRDBQHMAJFXCHA-UHFFFAOYSA-N 0 0 319.361 0.990 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000375439906 159792521 /nfs/dbraw/zinc/79/25/21/159792521.db2.gz VBRVSWKOLFHVLW-YRGRVCCFSA-N 0 0 317.407 0.770 10 0 DCAERN COC1(c2ccccc2)CN(C(=O)[C@H](O)c2cnn(C)c2)C1 ZINC000376294081 159849521 /nfs/dbraw/zinc/84/95/21/159849521.db2.gz QMGREASBUQWODG-CQSZACIVSA-N 0 0 301.346 0.838 10 0 DCAERN CC(=O)N1CCCN(C(=O)CO[C@@H](C)c2nccn2C)CC1 ZINC000376806700 159878647 /nfs/dbraw/zinc/87/86/47/159878647.db2.gz BWXPDVKKQVYENJ-LBPRGKRZSA-N 0 0 308.382 0.579 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000378509826 159986113 /nfs/dbraw/zinc/98/61/13/159986113.db2.gz WEAVKOCAIXTNBS-GFCCVEGCSA-N 0 0 301.350 0.842 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000407973084 160000253 /nfs/dbraw/zinc/00/02/53/160000253.db2.gz OZALTZYMEQWLKM-STQMWFEESA-N 0 0 318.439 0.876 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000407974703 160000603 /nfs/dbraw/zinc/00/06/03/160000603.db2.gz URIAUIDKBYOAFK-CYBMUJFWSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000407976289 160000694 /nfs/dbraw/zinc/00/06/94/160000694.db2.gz NEIFFENWIPQOMP-PXAZEXFGSA-N 0 0 321.421 0.810 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCNC2=O)C1 ZINC000407978853 160001687 /nfs/dbraw/zinc/00/16/87/160001687.db2.gz ILFTVXBTIAASRQ-XQQFMLRXSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407987188 160003447 /nfs/dbraw/zinc/00/34/47/160003447.db2.gz WXQZOPQGOQQPER-ZJNREGCTSA-N 0 0 301.412 0.254 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CC(C)(O)C3)CC2)n1 ZINC000407984953 160003553 /nfs/dbraw/zinc/00/35/53/160003553.db2.gz KUDPLBXGIKETCA-UHFFFAOYSA-N 0 0 306.366 0.295 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000407989944 160004280 /nfs/dbraw/zinc/00/42/80/160004280.db2.gz MDEAKUNFJAAKRA-DGCLKSJQSA-N 0 0 308.407 0.835 10 0 DCAERN CN1C[C@H](NC(=O)C2CCN(CC(F)F)CC2)CCC1=O ZINC000407999059 160007042 /nfs/dbraw/zinc/00/70/42/160007042.db2.gz UJVSJIKQXYFKQJ-LLVKDONJSA-N 0 0 303.353 0.701 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)N1CCOCC1 ZINC000408000993 160007758 /nfs/dbraw/zinc/00/77/58/160007758.db2.gz LNKYPYBWLZTVBG-NEPJUHHUSA-N 0 0 315.439 0.087 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000408001437 160008126 /nfs/dbraw/zinc/00/81/26/160008126.db2.gz PYWXSBMWIUQRJW-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408011792 160010688 /nfs/dbraw/zinc/01/06/88/160010688.db2.gz ZVQJZSPDOQQYCO-TXEJJXNPSA-N 0 0 321.443 0.141 10 0 DCAERN CC[C@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C[C@H]1O ZINC000408017582 160011754 /nfs/dbraw/zinc/01/17/54/160011754.db2.gz NFNIGMQCSIMRRY-NWDGAFQWSA-N 0 0 303.366 0.513 10 0 DCAERN NC(=O)N[C@@H]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000408024690 160014532 /nfs/dbraw/zinc/01/45/32/160014532.db2.gz FZWOIDMYARNXQI-RKDXNWHRSA-N 0 0 308.304 0.282 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCO[C@@H]1C ZINC000408026256 160014954 /nfs/dbraw/zinc/01/49/54/160014954.db2.gz DAGWTHOXKPXVRV-VWYCJHECSA-N 0 0 306.384 0.026 10 0 DCAERN CCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000408025825 160014970 /nfs/dbraw/zinc/01/49/70/160014970.db2.gz DTVNWYNEZHKFTD-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCNC(=O)C(C)(C)C)C[C@@H]21 ZINC000408024014 160015135 /nfs/dbraw/zinc/01/51/35/160015135.db2.gz WYQIADXTDKFQQI-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C2(O)CCSCC2)C1 ZINC000408035311 160018402 /nfs/dbraw/zinc/01/84/02/160018402.db2.gz LCMQOFWKTHZVHH-LLVKDONJSA-N 0 0 300.424 0.762 10 0 DCAERN CCC1(CO)CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000408038757 160019537 /nfs/dbraw/zinc/01/95/37/160019537.db2.gz PINOBSUUJDGVQO-UHFFFAOYSA-N 0 0 311.382 0.328 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 ZINC000408045490 160021831 /nfs/dbraw/zinc/02/18/31/160021831.db2.gz FZXCBUMDECOAQU-CZUORRHYSA-N 0 0 320.393 0.287 10 0 DCAERN CC(=O)N1CCCN(C(=O)Nc2ccc(C(N)=O)nc2)CC1 ZINC000408048831 160022402 /nfs/dbraw/zinc/02/24/02/160022402.db2.gz QPNPUCWCWOVFEH-UHFFFAOYSA-N 0 0 305.338 0.267 10 0 DCAERN CCOC[C@H]1CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049642 160022569 /nfs/dbraw/zinc/02/25/69/160022569.db2.gz CJXGIVCJLNILPR-HOCLYGCPSA-N 0 0 312.410 0.635 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000408048633 160023121 /nfs/dbraw/zinc/02/31/21/160023121.db2.gz YWMVSDGIMWFYDU-NSHDSACASA-N 0 0 316.361 0.684 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H](C)c2cn(C)nc2C)C1 ZINC000408050477 160023562 /nfs/dbraw/zinc/02/35/62/160023562.db2.gz JWKRLUHSDWSONQ-ZUZCIYMTSA-N 0 0 308.382 0.279 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408051661 160023573 /nfs/dbraw/zinc/02/35/73/160023573.db2.gz LHFZNOHQGFZDQS-KGLIPLIRSA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1OCC[C@@H]1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408053227 160024465 /nfs/dbraw/zinc/02/44/65/160024465.db2.gz NZNBVQICNOEKSL-NDBYEHHHSA-N 0 0 314.357 0.209 10 0 DCAERN Cc1noc(C)c1C(C)(C)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000408055816 160025095 /nfs/dbraw/zinc/02/50/95/160025095.db2.gz ATGRWAKWQGGNLC-OAHLLOKOSA-N 0 0 309.366 0.408 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C[C@H]1C(N)=O ZINC000408055278 160025218 /nfs/dbraw/zinc/02/52/18/160025218.db2.gz SEOJAUSKPCVDKI-GMTAPVOTSA-N 0 0 321.343 0.841 10 0 DCAERN CCOC(=O)C1(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCOCC1 ZINC000408076908 160030856 /nfs/dbraw/zinc/03/08/56/160030856.db2.gz POMGYQADECBIIJ-XQQFMLRXSA-N 0 0 311.378 0.576 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CCO1 ZINC000408082788 160031591 /nfs/dbraw/zinc/03/15/91/160031591.db2.gz HJRDAIUMDHUFNX-UTUOFQBUSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000408083730 160031862 /nfs/dbraw/zinc/03/18/62/160031862.db2.gz KVUWDVOOTCYYDQ-FDYHWXHSSA-N 0 0 306.428 0.745 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)oc1C ZINC000408090916 160033648 /nfs/dbraw/zinc/03/36/48/160033648.db2.gz TUVSIUJSRMTBDU-GZMMTYOYSA-N 0 0 317.363 0.766 10 0 DCAERN C[C@@H]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@H]1O ZINC000408094109 160034321 /nfs/dbraw/zinc/03/43/21/160034321.db2.gz FKDZMGZWMSJJML-VXNVDRBHSA-N 0 0 304.393 0.238 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408093567 160034580 /nfs/dbraw/zinc/03/45/80/160034580.db2.gz OUSHKJIIQLGFRS-TUAOUCFPSA-N 0 0 300.424 0.917 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](C)[C@H](O)C2)C1=O ZINC000408094683 160034612 /nfs/dbraw/zinc/03/46/12/160034612.db2.gz TXAHJYUUHMCGDI-WDEREUQCSA-N 0 0 311.382 0.326 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCNC3=O)ccc2O1 ZINC000408096289 160035241 /nfs/dbraw/zinc/03/52/41/160035241.db2.gz YXUBIRYPTFZNDZ-BXKDBHETSA-N 0 0 310.375 0.567 10 0 DCAERN CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)o2)CC1 ZINC000408097130 160035257 /nfs/dbraw/zinc/03/52/57/160035257.db2.gz IYIVFLYRRCAPSX-UHFFFAOYSA-N 0 0 322.408 0.244 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1O ZINC000408105155 160036230 /nfs/dbraw/zinc/03/62/30/160036230.db2.gz ODUWYJDJOFRINL-XQHKEYJVSA-N 0 0 313.398 0.035 10 0 DCAERN CS(=O)(=O)c1ccc(N2CCO[C@]3(CCCOC3)C2)nc1 ZINC000408108580 160036999 /nfs/dbraw/zinc/03/69/99/160036999.db2.gz BAXWNEZDEGKDSO-CQSZACIVSA-N 0 0 312.391 0.871 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000408108622 160037391 /nfs/dbraw/zinc/03/73/91/160037391.db2.gz VIRQXVBOOIGHCZ-NSHDSACASA-N 0 0 301.368 0.413 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C)C[C@@H]1C ZINC000408111401 160037786 /nfs/dbraw/zinc/03/77/86/160037786.db2.gz AZQRSFOMNHCSBS-JTQLQIEISA-N 0 0 303.366 0.036 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1C ZINC000408110444 160037954 /nfs/dbraw/zinc/03/79/54/160037954.db2.gz QDNAEIDKNAQIMV-NXEZZACHSA-N 0 0 305.396 0.467 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)[C@H]1CNC(=O)C1 ZINC000408114562 160039804 /nfs/dbraw/zinc/03/98/04/160039804.db2.gz DZGGDTWLHGPUCA-GRYCIOLGSA-N 0 0 309.410 0.616 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)C1 ZINC000408120745 160041161 /nfs/dbraw/zinc/04/11/61/160041161.db2.gz YMLNPIBQNGXJLK-AWEZNQCLSA-N 0 0 321.421 0.714 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000408127601 160043127 /nfs/dbraw/zinc/04/31/27/160043127.db2.gz XCUZJONLYUTRMV-ZIAGYGMSSA-N 0 0 321.425 0.725 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000408129843 160043417 /nfs/dbraw/zinc/04/34/17/160043417.db2.gz RWAPNTKIIKMHFH-QWHCGFSZSA-N 0 0 309.410 0.618 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)C1 ZINC000408132676 160044060 /nfs/dbraw/zinc/04/40/60/160044060.db2.gz LDODXAOXTCEBCS-NSHDSACASA-N 0 0 303.428 0.373 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O ZINC000408133895 160044289 /nfs/dbraw/zinc/04/42/89/160044289.db2.gz QDZKLKVFKVCRBV-RYUDHWBXSA-N 0 0 310.394 0.781 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000408132230 160044360 /nfs/dbraw/zinc/04/43/60/160044360.db2.gz JAPNQCPXXKCJTF-NWDGAFQWSA-N 0 0 301.412 0.838 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408135614 160044917 /nfs/dbraw/zinc/04/49/17/160044917.db2.gz YTEXQBZOMQKIGH-ZDUSSCGKSA-N 0 0 307.460 0.208 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000408139335 160045686 /nfs/dbraw/zinc/04/56/86/160045686.db2.gz GHWJFTVLSSJIHI-YNEHKIRRSA-N 0 0 300.424 0.917 10 0 DCAERN CN1CC[C@@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@@H]2C1 ZINC000408147273 160047616 /nfs/dbraw/zinc/04/76/16/160047616.db2.gz BSBRQKVBJVQXMT-VXGBXAGGSA-N 0 0 303.428 0.157 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnc2c(c1)nnn2C ZINC000408161584 160050198 /nfs/dbraw/zinc/05/01/98/160050198.db2.gz NRDFIVGVVAZOPE-LLVKDONJSA-N 0 0 302.338 0.056 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000408162966 160050529 /nfs/dbraw/zinc/05/05/29/160050529.db2.gz ALIOOTLMPBNJMG-GHMZBOCLSA-N 0 0 310.441 0.130 10 0 DCAERN CC1CN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000408166227 160051289 /nfs/dbraw/zinc/05/12/89/160051289.db2.gz QABANSVQMBYIGM-UHFFFAOYSA-N 0 0 302.128 0.190 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000408167813 160052171 /nfs/dbraw/zinc/05/21/71/160052171.db2.gz CJAVWUBFVYSZAE-NSHDSACASA-N 0 0 303.366 0.427 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC000408182075 160054592 /nfs/dbraw/zinc/05/45/92/160054592.db2.gz HCWLVKLHWJCVTQ-VXGBXAGGSA-N 0 0 302.440 0.895 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000408188281 160055808 /nfs/dbraw/zinc/05/58/08/160055808.db2.gz SCDBZVCQSICAKQ-ZYHUDNBSSA-N 0 0 322.452 0.049 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000408189146 160056179 /nfs/dbraw/zinc/05/61/79/160056179.db2.gz LRWNCWBEZGMYGH-NSHDSACASA-N 0 0 304.412 0.031 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC(=O)N1 ZINC000408193005 160056558 /nfs/dbraw/zinc/05/65/58/160056558.db2.gz QDCVWAHAOFJTCA-TUAOUCFPSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)NCCCN2CCOCC2)CCO1 ZINC000408192306 160056726 /nfs/dbraw/zinc/05/67/26/160056726.db2.gz MKQUISNOYQNFKH-QWHCGFSZSA-N 0 0 306.428 0.196 10 0 DCAERN C[C@@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408192496 160056993 /nfs/dbraw/zinc/05/69/93/160056993.db2.gz NOUFHAOVIWTHHU-MXWKQRLJSA-N 0 0 306.428 0.777 10 0 DCAERN Cc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)nc(C)n1 ZINC000408195008 160057299 /nfs/dbraw/zinc/05/72/99/160057299.db2.gz JVXRMGNBWCPKKE-GFCCVEGCSA-N 0 0 309.391 0.885 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CC(=O)N1 ZINC000408200997 160058587 /nfs/dbraw/zinc/05/85/87/160058587.db2.gz CRLLSQLTVWEVJY-YIYPIFLZSA-N 0 0 311.426 0.205 10 0 DCAERN COCc1n[nH]c([C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000408203635 160059193 /nfs/dbraw/zinc/05/91/93/160059193.db2.gz DTCSKCFLYFNUAZ-VIFPVBQESA-N 0 0 303.388 0.285 10 0 DCAERN Cc1ccc2nc(CN3CCS(=O)(=O)[C@@H](C)C3)cc(=O)n2c1 ZINC000408203370 160059405 /nfs/dbraw/zinc/05/94/05/160059405.db2.gz QBGHXQIZQLMXGE-LBPRGKRZSA-N 0 0 321.402 0.622 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408207790 160059770 /nfs/dbraw/zinc/05/97/70/160059770.db2.gz YACDIQSZCFSDLC-AGIUHOORSA-N 0 0 309.410 0.761 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000408206240 160059956 /nfs/dbraw/zinc/05/99/56/160059956.db2.gz SXHDMSRUARGRRV-STQMWFEESA-N 0 0 324.425 0.507 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CC[C@H](CO)C1 ZINC000408213893 160061490 /nfs/dbraw/zinc/06/14/90/160061490.db2.gz JJQRVBIIMKEPGR-LBPRGKRZSA-N 0 0 306.366 0.764 10 0 DCAERN NC(=O)NC1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000408228790 160063934 /nfs/dbraw/zinc/06/39/34/160063934.db2.gz JNJPDJNKGSWAHO-LLVKDONJSA-N 0 0 323.422 0.771 10 0 DCAERN Cc1ccncc1N1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000408231128 160064755 /nfs/dbraw/zinc/06/47/55/160064755.db2.gz FTHHCEFIBAJLBR-UHFFFAOYSA-N 0 0 321.406 0.634 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)n1 ZINC000408233908 160065230 /nfs/dbraw/zinc/06/52/30/160065230.db2.gz BXTIZMIBFJHICB-HLTSFMKQSA-N 0 0 304.372 0.383 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408234431 160065331 /nfs/dbraw/zinc/06/53/31/160065331.db2.gz FJTGBLHGNJTLMP-SECBINFHSA-N 0 0 314.411 0.365 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cnn1C ZINC000408236463 160066132 /nfs/dbraw/zinc/06/61/32/160066132.db2.gz MUTIRBYBFUVTPJ-MXWKQRLJSA-N 0 0 316.427 0.733 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CCOCC3(CC3)C2)CCC1 ZINC000408238694 160067252 /nfs/dbraw/zinc/06/72/52/160067252.db2.gz YCUWJHOMBJFTRI-UHFFFAOYSA-N 0 0 317.407 0.772 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408243495 160067818 /nfs/dbraw/zinc/06/78/18/160067818.db2.gz AIWZUGGPFLJGNG-MRXNPFEDSA-N 0 0 316.361 0.920 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000408244303 160068390 /nfs/dbraw/zinc/06/83/90/160068390.db2.gz OPBVMFIOGGJUCG-ZDUSSCGKSA-N 0 0 309.410 0.855 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1CCC(=O)CC1 ZINC000408248779 160069163 /nfs/dbraw/zinc/06/91/63/160069163.db2.gz KAMTXBMYBMTOTB-DGCLKSJQSA-N 0 0 316.423 0.580 10 0 DCAERN CO[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CC[C@@H]1C ZINC000408256772 160070859 /nfs/dbraw/zinc/07/08/59/160070859.db2.gz MWRQZMYAJCVTOP-STQMWFEESA-N 0 0 313.398 0.302 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cn1 ZINC000408262197 160072325 /nfs/dbraw/zinc/07/23/25/160072325.db2.gz HGIQUBFVWFXSDL-CMPLNLGQSA-N 0 0 302.334 0.064 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000408273337 160073826 /nfs/dbraw/zinc/07/38/26/160073826.db2.gz BWNQBGNBJLTNLN-UPJWGTAASA-N 0 0 318.439 0.732 10 0 DCAERN Cn1nc(CC(=O)N2CCC(C)(O)CC2)c2ccccc2c1=O ZINC000408276728 160074560 /nfs/dbraw/zinc/07/45/60/160074560.db2.gz KZOCRUPFULOJAZ-UHFFFAOYSA-N 0 0 315.373 0.849 10 0 DCAERN CNC(=O)CC1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000408278292 160074882 /nfs/dbraw/zinc/07/48/82/160074882.db2.gz DULVECOYTCHDBI-GFCCVEGCSA-N 0 0 313.423 0.283 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C1 ZINC000408281468 160075688 /nfs/dbraw/zinc/07/56/88/160075688.db2.gz OVXOZLIFRLMFLR-NEPJUHHUSA-N 0 0 311.382 0.590 10 0 DCAERN CCc1c(C(=O)N2CCO[C@]3(CCOC3)C2)[nH]c(C)c1C(N)=O ZINC000408281774 160076102 /nfs/dbraw/zinc/07/61/02/160076102.db2.gz WUEXIYVSUFMRQO-MRXNPFEDSA-N 0 0 321.377 0.616 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC1=O ZINC000408280853 160076348 /nfs/dbraw/zinc/07/63/48/160076348.db2.gz KULHSVGMWMVIFY-LLVKDONJSA-N 0 0 324.402 0.988 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C)C1 ZINC000408291430 160077401 /nfs/dbraw/zinc/07/74/01/160077401.db2.gz YNNFTZNUKSPMKM-VXGBXAGGSA-N 0 0 303.428 0.706 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C)C1 ZINC000408291425 160077797 /nfs/dbraw/zinc/07/77/97/160077797.db2.gz YNNFTZNUKSPMKM-NEPJUHHUSA-N 0 0 303.428 0.706 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408293915 160078304 /nfs/dbraw/zinc/07/83/04/160078304.db2.gz JBOCDAHPIXIGRO-VXNVDRBHSA-N 0 0 302.327 0.068 10 0 DCAERN C[C@@H]1C[C@@H](O)CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408293943 160078353 /nfs/dbraw/zinc/07/83/53/160078353.db2.gz JIAVWNQUUGOFQX-NXEZZACHSA-N 0 0 303.318 0.084 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)CC(C)(C)O)CC3)n2n1 ZINC000408296173 160079140 /nfs/dbraw/zinc/07/91/40/160079140.db2.gz ZETLLYHFMCEBSQ-UHFFFAOYSA-N 0 0 318.381 0.242 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)C1 ZINC000408302454 160079940 /nfs/dbraw/zinc/07/99/40/160079940.db2.gz GIVHRWAIOXZDDI-YNEHKIRRSA-N 0 0 310.398 0.341 10 0 DCAERN CN1CCc2ccc(NC(=O)N[C@@H]3CCCNC3=O)cc2C1=O ZINC000408301309 160080087 /nfs/dbraw/zinc/08/00/87/160080087.db2.gz RFOPLRVKSURSOZ-CYBMUJFWSA-N 0 0 316.361 0.715 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@](C)(O)C(C)C)CCO2)n1 ZINC000408304374 160080789 /nfs/dbraw/zinc/08/07/89/160080789.db2.gz YFGVSVXVRAGABC-DZGCQCFKSA-N 0 0 310.398 0.529 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000408311549 160083084 /nfs/dbraw/zinc/08/30/84/160083084.db2.gz YENAIXTVRCUFQC-JTQLQIEISA-N 0 0 302.396 0.081 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)O3)CCO2)n1 ZINC000408318154 160083867 /nfs/dbraw/zinc/08/38/67/160083867.db2.gz IGPSBTSDVDDSGV-LEWSCRJBSA-N 0 0 308.382 0.690 10 0 DCAERN O=C(N1CCO[C@@H](c2cccc(O)c2)C1)C1(O)CCOCC1 ZINC000408318408 160084076 /nfs/dbraw/zinc/08/40/76/160084076.db2.gz CUDZXFUEGMSFEL-CQSZACIVSA-N 0 0 307.346 0.834 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@]2(CCOC2)O1 ZINC000408325782 160085505 /nfs/dbraw/zinc/08/55/05/160085505.db2.gz DZROHMMXWNOVQL-MEBBXXQBSA-N 0 0 308.334 0.789 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)c1nnc2n1CCCC2 ZINC000408328555 160086010 /nfs/dbraw/zinc/08/60/10/160086010.db2.gz JOSPZFWJYQQTPJ-UTUOFQBUSA-N 0 0 307.398 0.945 10 0 DCAERN CCN1CN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1=O ZINC000408334273 160087045 /nfs/dbraw/zinc/08/70/45/160087045.db2.gz MXLHVZCSYSMYGO-WDEREUQCSA-N 0 0 318.395 0.170 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408349631 160089876 /nfs/dbraw/zinc/08/98/76/160089876.db2.gz LCTGGFLDYXACDA-MEBBXXQBSA-N 0 0 304.350 0.343 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 ZINC000408352210 160090621 /nfs/dbraw/zinc/09/06/21/160090621.db2.gz NQCAVAHOTNFTOJ-CMPLNLGQSA-N 0 0 306.353 0.572 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000408353499 160090679 /nfs/dbraw/zinc/09/06/79/160090679.db2.gz BPGNRROKHMTPAZ-LBELIVKGSA-N 0 0 322.409 0.339 10 0 DCAERN Cc1cnc(C(=O)N2CCN(c3nccn3C)CC2)c(O)c1 ZINC000408373364 160094561 /nfs/dbraw/zinc/09/45/61/160094561.db2.gz LCDFSSQJFMKHLO-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@H](CO)C1)N1CCCC1 ZINC000408373423 160094714 /nfs/dbraw/zinc/09/47/14/160094714.db2.gz LIBGSIKKKHDNSN-KFWWJZLASA-N 0 0 324.421 0.635 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408375553 160095183 /nfs/dbraw/zinc/09/51/83/160095183.db2.gz SWILPWPKDWFRLW-QWHCGFSZSA-N 0 0 312.410 0.633 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N2CCO[C@H](CO)C2)CCCC1 ZINC000408380604 160096084 /nfs/dbraw/zinc/09/60/84/160096084.db2.gz AYDQZQYNQWMNFF-LBPRGKRZSA-N 0 0 313.398 0.038 10 0 DCAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CCO[C@H](CO)C1 ZINC000408383012 160096715 /nfs/dbraw/zinc/09/67/15/160096715.db2.gz UJWOPRDXMCWPOK-LBPRGKRZSA-N 0 0 305.334 0.796 10 0 DCAERN CC(C)NS(=O)(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC000408386434 160097682 /nfs/dbraw/zinc/09/76/82/160097682.db2.gz PIBBLWYDWHJEJZ-SNVBAGLBSA-N 0 0 318.399 0.809 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)CCO1 ZINC000408389028 160098418 /nfs/dbraw/zinc/09/84/18/160098418.db2.gz YMTCUIVZLLKQGB-GHMZBOCLSA-N 0 0 300.355 0.527 10 0 DCAERN Cc1nc(CN(C)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000408390996 160098481 /nfs/dbraw/zinc/09/84/81/160098481.db2.gz AFAMMCBHNVEHBJ-UHFFFAOYSA-N 0 0 303.409 0.734 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@@H]1CCCO1 ZINC000408394218 160099495 /nfs/dbraw/zinc/09/94/95/160099495.db2.gz OIQPRMWVSIEXNJ-VOAKCMCISA-N 0 0 322.427 0.124 10 0 DCAERN CC(C)[C@@](C)(O)C(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000408402620 160101190 /nfs/dbraw/zinc/10/11/90/160101190.db2.gz IXFBXSVBXXJBKM-OAHLLOKOSA-N 0 0 318.381 0.180 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408405746 160101987 /nfs/dbraw/zinc/10/19/87/160101987.db2.gz KJFXRKSWRUPFHP-UTUOFQBUSA-N 0 0 304.412 0.894 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@H]3CCC[C@@H]32)NC(=O)NC1=O ZINC000408417354 160103570 /nfs/dbraw/zinc/10/35/70/160103570.db2.gz YEPRTWKJZYDDBD-ZIBATOQPSA-N 0 0 309.366 0.535 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000408421155 160104400 /nfs/dbraw/zinc/10/44/00/160104400.db2.gz FWFUHRDTIOAGHD-GFCCVEGCSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408420705 160104488 /nfs/dbraw/zinc/10/44/88/160104488.db2.gz ZELRMDZZBUFOBJ-UPJWGTAASA-N 0 0 320.455 0.823 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[S@@](=O)[C@H](C)C3)C2=O)n(C)n1 ZINC000408427123 160106305 /nfs/dbraw/zinc/10/63/05/160106305.db2.gz ZPFCNQYWMDNHJS-SMDDFHAHSA-N 0 0 310.423 0.287 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408433863 160106704 /nfs/dbraw/zinc/10/67/04/160106704.db2.gz NZWJQGPTROZFHS-VIFPVBQESA-N 0 0 311.342 0.907 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)cn1C ZINC000408433613 160106804 /nfs/dbraw/zinc/10/68/04/160106804.db2.gz NARWGHXWUSTCQP-JTQLQIEISA-N 0 0 310.383 0.415 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408433138 160106812 /nfs/dbraw/zinc/10/68/12/160106812.db2.gz KSBGUAZYKAPADZ-KBPBESRZSA-N 0 0 319.471 0.350 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](CO)C1 ZINC000408446229 160109335 /nfs/dbraw/zinc/10/93/35/160109335.db2.gz ILBKGFOOPWZSLM-GHMZBOCLSA-N 0 0 309.370 0.078 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCc2c(C)cc(C)cc2C1 ZINC000408455128 160111824 /nfs/dbraw/zinc/11/18/24/160111824.db2.gz CMPVRHMXIQKUPT-UHFFFAOYSA-N 0 0 311.407 0.242 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408459563 160112801 /nfs/dbraw/zinc/11/28/01/160112801.db2.gz IXNFRVUVZWUBCS-MJBXVCDLSA-N 0 0 320.455 0.272 10 0 DCAERN Cc1nn(CC(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)c1Cl ZINC000408470004 160115141 /nfs/dbraw/zinc/11/51/41/160115141.db2.gz PXLLKHIMNQNMKT-QWRGUYRKSA-N 0 0 301.774 0.762 10 0 DCAERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[nH]1 ZINC000408470103 160115361 /nfs/dbraw/zinc/11/53/61/160115361.db2.gz VDXZZBLWVAOWJO-GDPRMGEGSA-N 0 0 301.416 0.624 10 0 DCAERN NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC1CC1 ZINC000054562597 286897071 /nfs/dbraw/zinc/89/70/71/286897071.db2.gz BGKWZJZADHCWCW-UHFFFAOYSA-N 0 0 311.301 0.980 10 0 DCAERN O=C(Nc1nncs1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000079624059 286925252 /nfs/dbraw/zinc/92/52/52/286925252.db2.gz GUVSVIYAWMMYDF-UHFFFAOYSA-N 0 0 318.362 0.923 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCCNC(=O)C1CC1 ZINC000091618359 286936607 /nfs/dbraw/zinc/93/66/07/286936607.db2.gz XWFGNAJYFGNARG-UHFFFAOYSA-N 0 0 321.425 0.795 10 0 DCAERN COC(=O)[C@H](NC[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696304 286937573 /nfs/dbraw/zinc/93/75/73/286937573.db2.gz WHHUDPGAZFGAEX-NWDGAFQWSA-N 0 0 306.428 0.445 10 0 DCAERN CCCc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 ZINC000110014575 286940900 /nfs/dbraw/zinc/94/09/00/286940900.db2.gz RZABOFUZTVRHNW-JTQLQIEISA-N 0 0 314.411 0.972 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@H]2CCCCN2C(C)=O)CC1 ZINC000408070308 286942537 /nfs/dbraw/zinc/94/25/37/286942537.db2.gz ITHWYUABAPIMAH-HUUCEWRRSA-N 0 0 311.426 0.303 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)Nc1cnc(N(C)C)nc1 ZINC000124742944 286964403 /nfs/dbraw/zinc/96/44/03/286964403.db2.gz HOHFMWKWSRSMRU-UHFFFAOYSA-N 0 0 304.354 0.910 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000129599808 286989265 /nfs/dbraw/zinc/98/92/65/286989265.db2.gz DSNNDGGAADIZGM-UHFFFAOYSA-N 0 0 303.362 0.940 10 0 DCAERN CC[C@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000130429264 286994036 /nfs/dbraw/zinc/99/40/36/286994036.db2.gz WIBHZKMFEGBDLD-NSHDSACASA-N 0 0 301.346 0.948 10 0 DCAERN O=C1CCCN1C[C@H](O)CN1CCN(c2cccs2)CC1 ZINC000131422769 287000215 /nfs/dbraw/zinc/00/02/15/287000215.db2.gz KUOPJVXGFRPIOM-CYBMUJFWSA-N 0 0 309.435 0.853 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000131405959 287000509 /nfs/dbraw/zinc/00/05/09/287000509.db2.gz OQOPNHOKSAIGCP-YPMHNXCESA-N 0 0 318.373 0.826 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000131704619 287001602 /nfs/dbraw/zinc/00/16/02/287001602.db2.gz QFIGQFLGWZVOTH-KBPBESRZSA-N 0 0 302.415 0.343 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCOC)CCN1CC(F)F ZINC000132891795 287007926 /nfs/dbraw/zinc/00/79/26/287007926.db2.gz YLUZLAASEVTBEN-JTQLQIEISA-N 0 0 300.371 0.624 10 0 DCAERN CCc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 ZINC000134418662 287016219 /nfs/dbraw/zinc/01/62/19/287016219.db2.gz KDTSKJGMPIOINJ-VIFPVBQESA-N 0 0 300.384 0.582 10 0 DCAERN COC[C@H](O)CCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000133926090 287014347 /nfs/dbraw/zinc/01/43/47/287014347.db2.gz HBBHAQILYVQOCJ-ZWNOBZJWSA-N 0 0 312.414 0.665 10 0 DCAERN CN1C[C@@H](NC(=O)CCNC(=O)c2ccsc2)CCC1=O ZINC000134097166 287014854 /nfs/dbraw/zinc/01/48/54/287014854.db2.gz UOLHYNXIHDAYEJ-NSHDSACASA-N 0 0 309.391 0.605 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000136127751 287025584 /nfs/dbraw/zinc/02/55/84/287025584.db2.gz AZYKBUGISFTTFB-ZDUSSCGKSA-N 0 0 308.444 0.131 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150734479 287030504 /nfs/dbraw/zinc/03/05/04/287030504.db2.gz YEESUNCTBXXXGS-LLVKDONJSA-N 0 0 317.345 0.798 10 0 DCAERN C[C@]1(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)CCCO1 ZINC000153017222 287045972 /nfs/dbraw/zinc/04/59/72/287045972.db2.gz CUNASBJYZFHHQC-XJKSGUPXSA-N 0 0 305.378 0.951 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000153519847 287050861 /nfs/dbraw/zinc/05/08/61/287050861.db2.gz AIYFWOFPQIWDMV-WDEREUQCSA-N 0 0 321.381 0.392 10 0 DCAERN Cn1cc([C@H](NCC(=O)NC(N)=O)c2ccc(F)cc2)cn1 ZINC000184600858 287056682 /nfs/dbraw/zinc/05/66/82/287056682.db2.gz AQYIODCNJOALRH-CYBMUJFWSA-N 0 0 305.313 0.433 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(C)C ZINC000185906377 287057318 /nfs/dbraw/zinc/05/73/18/287057318.db2.gz HWKMILIAXCLSHV-VIFPVBQESA-N 0 0 304.297 0.522 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC(F)(F)CO)cc1C ZINC000186102947 287057583 /nfs/dbraw/zinc/05/75/83/287057583.db2.gz JPCGSSJNNDXWCC-UHFFFAOYSA-N 0 0 300.305 0.777 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1CC ZINC000245461539 287069580 /nfs/dbraw/zinc/06/95/80/287069580.db2.gz NAQCUYIQFVVFDE-HUUCEWRRSA-N 0 0 313.442 0.276 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000245555751 287070586 /nfs/dbraw/zinc/07/05/86/287070586.db2.gz RSCXDMLXWSVXDT-AVGNSLFASA-N 0 0 318.439 0.610 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCO1 ZINC000245636791 287071552 /nfs/dbraw/zinc/07/15/52/287071552.db2.gz JSDKOHMVMAJQIS-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2CCOCC2)[C@@H](C)CO1 ZINC000245732268 287072690 /nfs/dbraw/zinc/07/26/90/287072690.db2.gz WELCEQIWQMMYOG-NWDGAFQWSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1C[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000245722222 287072710 /nfs/dbraw/zinc/07/27/10/287072710.db2.gz UXFAKMMCUJXINX-FOPUMGAHSA-N 0 0 306.428 0.886 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000246292480 287080771 /nfs/dbraw/zinc/08/07/71/287080771.db2.gz VETHPURXLCZZMO-ZYHUDNBSSA-N 0 0 303.428 0.850 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246171511 287078185 /nfs/dbraw/zinc/07/81/85/287078185.db2.gz HTUKUFLDDUYGOB-GARJFASQSA-N 0 0 300.403 0.359 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)[C@H](C)CO1 ZINC000246192339 287078585 /nfs/dbraw/zinc/07/85/85/287078585.db2.gz NQZIAKHECSZNSL-YRGRVCCFSA-N 0 0 320.455 0.871 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000246719294 287087226 /nfs/dbraw/zinc/08/72/26/287087226.db2.gz UOYBSKCIKSUWDQ-GRYCIOLGSA-N 0 0 324.425 0.729 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CC)CCO ZINC000246953572 287089243 /nfs/dbraw/zinc/08/92/43/287089243.db2.gz XFGSJUYKVYDZGP-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247361251 287093056 /nfs/dbraw/zinc/09/30/56/287093056.db2.gz MKDRIDHTFNOIKE-YVECIDJPSA-N 0 0 302.440 0.893 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000247045026 287090633 /nfs/dbraw/zinc/09/06/33/287090633.db2.gz NEJBYDKPYDIBQS-RYUDHWBXSA-N 0 0 323.368 0.678 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)[nH]n1 ZINC000247560681 287094504 /nfs/dbraw/zinc/09/45/04/287094504.db2.gz RTWKKQSXXNVZSS-WCQGTBRESA-N 0 0 307.398 0.992 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000249138643 287106915 /nfs/dbraw/zinc/10/69/15/287106915.db2.gz PCXMBBMVLYIADF-GRYCIOLGSA-N 0 0 318.439 0.466 10 0 DCAERN CCOC(=O)[C@@H](CC)N(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000249263145 287108348 /nfs/dbraw/zinc/10/83/48/287108348.db2.gz ICSGCNQVSPLJHP-LSDHHAIUSA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249578900 287114738 /nfs/dbraw/zinc/11/47/38/287114738.db2.gz QGORKBZZUURHLE-GJZGRUSLSA-N 0 0 317.433 0.963 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c(C)c1 ZINC000249449536 287110929 /nfs/dbraw/zinc/11/09/29/287110929.db2.gz LXYLGHRYZIFYEY-AWEZNQCLSA-N 0 0 312.435 0.991 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H](CO)O1 ZINC000249439294 287111006 /nfs/dbraw/zinc/11/10/06/287111006.db2.gz SQTWYTJVLFPNDX-LXTVHRRPSA-N 0 0 312.410 0.238 10 0 DCAERN CC1(C)[C@H](NC(=O)NCc2cc(C(N)=O)co2)[C@@H]2CCO[C@H]21 ZINC000252001380 287120348 /nfs/dbraw/zinc/12/03/48/287120348.db2.gz WOWDAMWTYYHVME-QJPTWQEYSA-N 0 0 307.350 0.991 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)C[C@@H](C)O1 ZINC000252441946 287120643 /nfs/dbraw/zinc/12/06/43/287120643.db2.gz DNRVOHNTZAMPCQ-ZJUUUORDSA-N 0 0 315.395 0.312 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NC/C=C\c1ccccc1 ZINC000255713725 287126287 /nfs/dbraw/zinc/12/62/87/287126287.db2.gz MJICMYJBAYHCAV-TWGQIWQCSA-N 0 0 311.407 0.938 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2CC(=O)N(C)[C@H](C)C2)c(=O)[nH]1 ZINC000282193022 287136621 /nfs/dbraw/zinc/13/66/21/287136621.db2.gz MNOVZKKQKVGWIU-SECBINFHSA-N 0 0 306.366 0.421 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000408355010 287233693 /nfs/dbraw/zinc/23/36/93/287233693.db2.gz PJBATVXLKTWEPL-SRVKXCTJSA-N 0 0 305.444 0.569 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nn(C)cc1C ZINC000628157717 411710635 /nfs/dbraw/zinc/71/06/35/411710635.db2.gz RQNGLFJRIOPAFQ-UHFFFAOYSA-N 0 0 323.397 0.477 10 0 DCAERN CNc1nc(N[C@H]2CCS(=O)(=O)C2)ncc1Br ZINC000130809384 196111601 /nfs/dbraw/zinc/11/16/01/196111601.db2.gz FARKGBFWRBBEQD-LURJTMIESA-N 0 0 321.200 0.880 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC(=O)N1 ZINC000408193003 287259594 /nfs/dbraw/zinc/25/95/94/287259594.db2.gz QDCVWAHAOFJTCA-IJLUTSLNSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000046331516 415258854 /nfs/dbraw/zinc/25/88/54/415258854.db2.gz QYWCNHIEYNHVBU-KGLIPLIRSA-N 0 0 303.362 0.879 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC2(CCO)CC2)c1 ZINC000342607103 415225439 /nfs/dbraw/zinc/22/54/39/415225439.db2.gz QWQKNEKFXMXJQZ-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)Cc2ccc(F)cc2)CC1 ZINC000052919296 415318902 /nfs/dbraw/zinc/31/89/02/415318902.db2.gz VEYTUCJJLIZKET-UHFFFAOYSA-N 0 0 307.369 0.948 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000274147050 415325631 /nfs/dbraw/zinc/32/56/31/415325631.db2.gz KKXCCKPTOLARPO-GHMZBOCLSA-N 0 0 311.407 0.865 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCCCOC)cc1 ZINC000056066404 415331996 /nfs/dbraw/zinc/33/19/96/415331996.db2.gz UJFZDNFYOXWOGC-UHFFFAOYSA-N 0 0 300.380 0.751 10 0 DCAERN CC(=O)C1(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000353061802 415422099 /nfs/dbraw/zinc/42/20/99/415422099.db2.gz GYCWGGGJQDZAKH-WDEREUQCSA-N 0 0 302.396 0.190 10 0 DCAERN O=C(N[C@H]1CCCc2c[nH]nc21)N1CCO[C@]2(CCOC2)C1 ZINC000274619961 415361888 /nfs/dbraw/zinc/36/18/88/415361888.db2.gz FPJHLTYEPZQPRP-SWLSCSKDSA-N 0 0 306.366 0.988 10 0 DCAERN COCCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000067200498 415375396 /nfs/dbraw/zinc/37/53/96/415375396.db2.gz MROQLADDUKYITE-AWEZNQCLSA-N 0 0 308.378 0.465 10 0 DCAERN COCCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067200497 415375907 /nfs/dbraw/zinc/37/59/07/415375907.db2.gz MROQLADDUKYITE-CQSZACIVSA-N 0 0 308.378 0.465 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Cc1cc[nH]n1 ZINC000275775589 415380425 /nfs/dbraw/zinc/38/04/25/415380425.db2.gz SLAIZYPXLYCQNS-AAEUAGOBSA-N 0 0 318.356 0.818 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCOc1ccc(F)cc1F ZINC000083607895 415486261 /nfs/dbraw/zinc/48/62/61/415486261.db2.gz NPUSLWFAABWJGM-UHFFFAOYSA-N 0 0 308.306 0.009 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C)CCc1ccccc1OC ZINC000083607473 415487931 /nfs/dbraw/zinc/48/79/31/415487931.db2.gz SZFCBPXTZCGERX-UHFFFAOYSA-N 0 0 300.380 0.245 10 0 DCAERN O=C(NC[C@H]1CCCC[C@@H]1O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332849246 415492413 /nfs/dbraw/zinc/49/24/13/415492413.db2.gz RPROVADJHGYVTI-XQHKEYJVSA-N 0 0 309.370 0.068 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H]2COc3ccccc3O2)CCC1=O ZINC000332853940 415493978 /nfs/dbraw/zinc/49/39/78/415493978.db2.gz DEMDJSKTJXHSCT-RYUDHWBXSA-N 0 0 319.361 0.746 10 0 DCAERN CC(=O)c1c(C)oc2ncnc(NC[C@@H](C)S(N)(=O)=O)c21 ZINC000353149566 415453742 /nfs/dbraw/zinc/45/37/42/415453742.db2.gz QYAHQWVVPAJPPO-ZCFIWIBFSA-N 0 0 312.351 0.823 10 0 DCAERN CCOCCNC(=O)CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000084715626 415502577 /nfs/dbraw/zinc/50/25/77/415502577.db2.gz IRFFQBQKRGBKJI-LBPRGKRZSA-N 0 0 300.399 0.803 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000332753504 415462684 /nfs/dbraw/zinc/46/26/84/415462684.db2.gz IHCOHZTZRFEOHH-RFGFWPKPSA-N 0 0 324.425 0.016 10 0 DCAERN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCc2cncnc2C1 ZINC000332776371 415473067 /nfs/dbraw/zinc/47/30/67/415473067.db2.gz LGHKJBGXZFBVKC-RYUDHWBXSA-N 0 0 303.366 0.459 10 0 DCAERN CN(C)c1ncccc1N(C)C(=O)CCSc1nnnn1C ZINC000079721996 415475902 /nfs/dbraw/zinc/47/59/02/415475902.db2.gz QXGNJIRETPWUNJ-UHFFFAOYSA-N 0 0 321.410 0.816 10 0 DCAERN CC[C@@H](C)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000088493545 415518364 /nfs/dbraw/zinc/51/83/64/415518364.db2.gz PEFIOKSEBSTSAD-CYBMUJFWSA-N 0 0 305.444 0.227 10 0 DCAERN Cn1cc(NC(=O)C2CCC(F)(F)CC2)c(=O)n(C)c1=O ZINC000089838836 415523137 /nfs/dbraw/zinc/52/31/37/415523137.db2.gz LABMFDGFVMPZSU-UHFFFAOYSA-N 0 0 301.293 0.848 10 0 DCAERN CN(C)c1nc(COc2cccc(C(=O)NCCO)c2)ns1 ZINC000089738261 415523412 /nfs/dbraw/zinc/52/34/12/415523412.db2.gz XSWRMGCACOBAAT-UHFFFAOYSA-N 0 0 322.390 0.905 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC(O)C2)cc1 ZINC000091415661 415534955 /nfs/dbraw/zinc/53/49/55/415534955.db2.gz BAZNCBFHYHNOBP-UHFFFAOYSA-N 0 0 312.391 0.438 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000091784341 415538375 /nfs/dbraw/zinc/53/83/75/415538375.db2.gz JIHBYBAVGCCKNW-CYBMUJFWSA-N 0 0 306.366 0.784 10 0 DCAERN CC[C@H]1CN(C(=O)NCc2ncn(C)n2)CCN1CC(F)F ZINC000091791675 415539754 /nfs/dbraw/zinc/53/97/54/415539754.db2.gz WVAVDNOPLQTHRH-JTQLQIEISA-N 0 0 316.356 0.686 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)Cc2cc(C)on2)C[C@H]1C ZINC000095016595 415547063 /nfs/dbraw/zinc/54/70/63/415547063.db2.gz CAWDDRRXTQFGMN-LDYMZIIASA-N 0 0 302.352 0.554 10 0 DCAERN O=S(=O)(N[C@H](CO)C1CCOCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333090282 415553305 /nfs/dbraw/zinc/55/33/05/415553305.db2.gz AUTMZGZHDFYCPS-YXCITZCRSA-N 0 0 303.424 0.882 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC[C@@H]1C ZINC000281658499 415562564 /nfs/dbraw/zinc/56/25/64/415562564.db2.gz SHCSGNTXSWQCKO-GZMMTYOYSA-N 0 0 316.379 0.732 10 0 DCAERN CO[C@H]1[C@@H](OC)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OC ZINC000095921625 415564966 /nfs/dbraw/zinc/56/49/66/415564966.db2.gz APZUEGZIJXFXRZ-LJIZCISZSA-N 0 0 312.362 0.965 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCC1=O ZINC000281667988 415566321 /nfs/dbraw/zinc/56/63/21/415566321.db2.gz SUMIXMZBDDKVRS-LLVKDONJSA-N 0 0 316.361 0.069 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c(C)o1 ZINC000284868727 415601637 /nfs/dbraw/zinc/60/16/37/415601637.db2.gz DHAKZMQMZWISKZ-STQMWFEESA-N 0 0 314.407 0.990 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)N2CCC(C)CC2)C1 ZINC000285618580 415614223 /nfs/dbraw/zinc/61/42/23/415614223.db2.gz DJRGXFASWWYRBC-NEPJUHHUSA-N 0 0 321.381 0.352 10 0 DCAERN COc1cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)ncn1 ZINC000285897340 415619643 /nfs/dbraw/zinc/61/96/43/415619643.db2.gz JNYWSVSETNEDNP-QWRGUYRKSA-N 0 0 307.354 0.422 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000343510641 415622301 /nfs/dbraw/zinc/62/23/01/415622301.db2.gz BXKZESNLZAJCGL-MNOVXSKESA-N 0 0 317.345 0.799 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000104359300 415623758 /nfs/dbraw/zinc/62/37/58/415623758.db2.gz PWJWPSCBGAWKDX-STQMWFEESA-N 0 0 307.394 0.372 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000104880378 415627336 /nfs/dbraw/zinc/62/73/36/415627336.db2.gz ABHDIWVEFHFTGX-UHFFFAOYSA-N 0 0 319.409 0.820 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2C[C@@H](F)C[C@H]2CO)cn1 ZINC000333380156 415627644 /nfs/dbraw/zinc/62/76/44/415627644.db2.gz KJJUQPACRZKUAD-RVMXOQNASA-N 0 0 312.345 0.364 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)CCS1(=O)=O ZINC000333373933 415628661 /nfs/dbraw/zinc/62/86/61/415628661.db2.gz WHNYDYMJBNUWAS-VIFPVBQESA-N 0 0 323.378 0.069 10 0 DCAERN O=C(NCCN1CCc2sccc2C1)N1CCNC(=O)CC1 ZINC000105178143 415633266 /nfs/dbraw/zinc/63/32/66/415633266.db2.gz UVKHNQANXUYIRR-UHFFFAOYSA-N 0 0 322.434 0.638 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000353719120 415636516 /nfs/dbraw/zinc/63/65/16/415636516.db2.gz HNOAEVRWEZRNKD-VXGBXAGGSA-N 0 0 308.382 1.565 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1=O ZINC000333412398 415641787 /nfs/dbraw/zinc/64/17/87/415641787.db2.gz KINORZOUAWFCRB-MXWKQRLJSA-N 0 0 318.395 0.009 10 0 DCAERN O=C(NCCN1CCOCC1)c1ccc(-c2ncon2)cc1 ZINC000107202913 415659507 /nfs/dbraw/zinc/65/95/07/415659507.db2.gz AURDLGWZZPDEER-UHFFFAOYSA-N 0 0 302.334 0.799 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000288847974 415694190 /nfs/dbraw/zinc/69/41/90/415694190.db2.gz DVRSAULNTWRQCN-UHFFFAOYSA-N 0 0 317.317 0.363 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1cccnc1N(C)C ZINC000114927106 415724220 /nfs/dbraw/zinc/72/42/20/415724220.db2.gz CWWREMUYTGSGBR-ZDUSSCGKSA-N 0 0 319.409 0.814 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccnn2C)C1)c1nc[nH]n1 ZINC000333754682 415732595 /nfs/dbraw/zinc/73/25/95/415732595.db2.gz UGYRZVVDRIEVPT-MNOVXSKESA-N 0 0 318.385 0.567 10 0 DCAERN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC000117424065 415733571 /nfs/dbraw/zinc/73/35/71/415733571.db2.gz YXBDPCVLWZLOCM-GFCCVEGCSA-N 0 0 308.357 0.887 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000343745040 415710187 /nfs/dbraw/zinc/71/01/87/415710187.db2.gz RPLMCAZRYGIREG-STQMWFEESA-N 0 0 320.393 0.735 10 0 DCAERN O=Cc1ccc(OCCC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112659648 415710662 /nfs/dbraw/zinc/71/06/62/415710662.db2.gz KJAUVVLZMBHLTL-CYBMUJFWSA-N 0 0 314.345 0.991 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000120350047 415762547 /nfs/dbraw/zinc/76/25/47/415762547.db2.gz ZOPHFZNUVKZNTB-YPMHNXCESA-N 0 0 319.361 0.365 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000120355359 415762717 /nfs/dbraw/zinc/76/27/17/415762717.db2.gz QOQQSMXNJVQXTJ-GFCCVEGCSA-N 0 0 315.377 0.936 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000120366030 415767220 /nfs/dbraw/zinc/76/72/20/415767220.db2.gz LYHSEKVRLYQXHP-CHWSQXEVSA-N 0 0 302.330 0.505 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2cccc3[nH]ccc32)CCC1=O ZINC000120517410 415770498 /nfs/dbraw/zinc/77/04/98/415770498.db2.gz OHRVJGRSTYJEGV-SNVBAGLBSA-N 0 0 314.345 0.843 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122332430 415833144 /nfs/dbraw/zinc/83/31/44/415833144.db2.gz JPPRXVNLZKMMMF-NSHDSACASA-N 0 0 324.402 0.833 10 0 DCAERN COc1cc2nc(N3C[C@@H](F)C[C@H]3CO)nc(N)c2cc1OC ZINC000344111018 415838998 /nfs/dbraw/zinc/83/89/98/415838998.db2.gz LHIBNRQTRZCFSX-IUCAKERBSA-N 0 0 322.340 1.138 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)O1 ZINC000123901135 415846214 /nfs/dbraw/zinc/84/62/14/415846214.db2.gz LDHABPRZYWRKBN-KGLIPLIRSA-N 0 0 309.410 0.321 10 0 DCAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120909450 415786839 /nfs/dbraw/zinc/78/68/39/415786839.db2.gz WWDHAIVJGWBCPL-ZDUSSCGKSA-N 0 0 315.333 0.189 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc3n[nH]nc3c2)n1 ZINC000121134911 415794721 /nfs/dbraw/zinc/79/47/21/415794721.db2.gz SGTFYZBYWWFEMY-LBPRGKRZSA-N 0 0 314.305 0.863 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121753226 415815481 /nfs/dbraw/zinc/81/54/81/415815481.db2.gz TVPKYIRPPAXNMM-TZMCWYRMSA-N 0 0 303.424 0.963 10 0 DCAERN CN(C(=O)CN1CCCC1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121968710 415823412 /nfs/dbraw/zinc/82/34/12/415823412.db2.gz KMKMHXKIUAAJQL-CYBMUJFWSA-N 0 0 317.393 0.526 10 0 DCAERN CCOc1cc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)ncn1 ZINC000122120006 415827623 /nfs/dbraw/zinc/82/76/23/415827623.db2.gz PAXUFJMUAIYEEB-CYBMUJFWSA-N 0 0 319.409 0.618 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCS1(=O)=O ZINC000122077649 415827747 /nfs/dbraw/zinc/82/77/47/415827747.db2.gz AGCFHNCHPVPGDE-SNVBAGLBSA-N 0 0 322.386 0.830 10 0 DCAERN CC1(C)CCC[C@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000127780707 415891800 /nfs/dbraw/zinc/89/18/00/415891800.db2.gz AFXADFQRWPVICD-GFCCVEGCSA-N 0 0 317.455 0.941 10 0 DCAERN CCNC(=O)NC1(C(=O)NCCCN2CCCC2=O)CCCC1 ZINC000127884582 415892126 /nfs/dbraw/zinc/89/21/26/415892126.db2.gz ZVRMOSSLOPHGCE-UHFFFAOYSA-N 0 0 324.425 0.747 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000337035478 415895551 /nfs/dbraw/zinc/89/55/51/415895551.db2.gz GZNIPAJPVLVNGF-SNVBAGLBSA-N 0 0 310.375 0.740 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCNC(C)=O)CCN1CC(F)F ZINC000130949072 415922480 /nfs/dbraw/zinc/92/24/80/415922480.db2.gz CKVGPEXNFSWMBN-LLVKDONJSA-N 0 0 306.357 0.493 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C)C3=O)CC2=O)cc1 ZINC000152597836 415967705 /nfs/dbraw/zinc/96/77/05/415967705.db2.gz MQNCCQPLJYDNRD-GXTWGEPZSA-N 0 0 315.373 0.695 10 0 DCAERN C[C@H](C(=O)N1CCO[C@@H](c2cnn(C)c2)C1)N1CCSCC1 ZINC000153447062 415981468 /nfs/dbraw/zinc/98/14/68/415981468.db2.gz YUMTVCKDKBZCNI-TZMCWYRMSA-N 0 0 324.450 0.757 10 0 DCAERN CC(=O)NCCNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000153509207 415983098 /nfs/dbraw/zinc/98/30/98/415983098.db2.gz MNDZTTJUOHBALI-LLVKDONJSA-N 0 0 316.365 0.764 10 0 DCAERN CCSc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cn1 ZINC000153856485 415988152 /nfs/dbraw/zinc/98/81/52/415988152.db2.gz PYDVOGLHSQHMHC-UHFFFAOYSA-N 0 0 320.374 0.843 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000153986315 415989346 /nfs/dbraw/zinc/98/93/46/415989346.db2.gz GESCNPIDFGQADQ-GFCCVEGCSA-N 0 0 321.312 0.585 10 0 DCAERN COCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1C ZINC000155194797 415994510 /nfs/dbraw/zinc/99/45/10/415994510.db2.gz PELIVHLIQQNRSZ-LBPRGKRZSA-N 0 0 322.413 0.727 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000155195804 415994958 /nfs/dbraw/zinc/99/49/58/415994958.db2.gz SJYUJLFOLNLVCC-ZIAGYGMSSA-N 0 0 317.389 0.885 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155127458 415995426 /nfs/dbraw/zinc/99/54/26/415995426.db2.gz VCYMBUFXWWXEMT-NSHDSACASA-N 0 0 306.428 0.037 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000155166066 415995647 /nfs/dbraw/zinc/99/56/47/415995647.db2.gz DXQVGYBPBPATSS-GFCCVEGCSA-N 0 0 315.333 0.434 10 0 DCAERN C[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1cccc(F)c1 ZINC000132763065 415936211 /nfs/dbraw/zinc/93/62/11/415936211.db2.gz MGEHXTPDYAKMSY-DOMZBBRYSA-N 0 0 310.369 0.739 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCc1ccc(CO)c(F)c1 ZINC000172402909 416045226 /nfs/dbraw/zinc/04/52/26/416045226.db2.gz RVDMSNCJNMOLIQ-UHFFFAOYSA-N 0 0 317.320 0.759 10 0 DCAERN CC(C)CN(C(=O)CN1CCS(=O)(=O)[C@H](C)C1)C(C)C ZINC000172553205 416048116 /nfs/dbraw/zinc/04/81/16/416048116.db2.gz MDYZPERKDGWKKR-CYBMUJFWSA-N 0 0 304.456 0.998 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@H]1CCN(C)C1=O)c1ccccc1 ZINC000172544323 416048123 /nfs/dbraw/zinc/04/81/23/416048123.db2.gz QQCUIJRUCPIKGP-KBPBESRZSA-N 0 0 303.362 0.601 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)C1 ZINC000172895057 416049264 /nfs/dbraw/zinc/04/92/64/416049264.db2.gz PLIKGSNFVMKGFM-SNVBAGLBSA-N 0 0 315.399 0.147 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCc3ccn(C)n3)c2=O)s1 ZINC000357246018 416052069 /nfs/dbraw/zinc/05/20/69/416052069.db2.gz NQHRQBLZSQKCII-UHFFFAOYSA-N 0 0 303.347 0.728 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N1C[C@@H](C)CC[C@H]1C ZINC000173210113 416053326 /nfs/dbraw/zinc/05/33/26/416053326.db2.gz MEFOHDFSNRLBIR-QWHCGFSZSA-N 0 0 308.444 0.946 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCSCC2)o1 ZINC000299113797 416054313 /nfs/dbraw/zinc/05/43/13/416054313.db2.gz XXBONRLVFOOLDM-UHFFFAOYSA-N 0 0 304.393 0.767 10 0 DCAERN O=C(NCCCN1CCOCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000173274463 416055567 /nfs/dbraw/zinc/05/55/67/416055567.db2.gz BOOBKIFMZHBSFV-CQSZACIVSA-N 0 0 322.413 0.347 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)CN(C)C(N)=O)C(=O)N1c1ccccc1 ZINC000173424609 416058357 /nfs/dbraw/zinc/05/83/57/416058357.db2.gz QHWHEDGPJZVZGU-ZYHUDNBSSA-N 0 0 304.350 0.307 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)c1cnn(C)c1 ZINC000173445352 416058702 /nfs/dbraw/zinc/05/87/02/416058702.db2.gz PQYRPRAQBYWLND-VIFPVBQESA-N 0 0 303.366 0.701 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCC4(CC3)OCCO4)C2=O)n(C)n1 ZINC000173529708 416060201 /nfs/dbraw/zinc/06/02/01/416060201.db2.gz JGJIACRYXQQQGD-ZDUSSCGKSA-N 0 0 320.393 0.673 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCN(CCn2cncn2)CC1 ZINC000357320428 416063471 /nfs/dbraw/zinc/06/34/71/416063471.db2.gz YLNLJSWYYDBXEV-UHFFFAOYSA-N 0 0 315.377 0.371 10 0 DCAERN CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000357357053 416066305 /nfs/dbraw/zinc/06/63/05/416066305.db2.gz PNFRZHJJOYRYGG-ZDUSSCGKSA-N 0 0 321.352 0.916 10 0 DCAERN O=C(Cc1cccc(O)c1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000357364436 416068270 /nfs/dbraw/zinc/06/82/70/416068270.db2.gz MRHUIZDFGYLUCG-BZNIZROVSA-N 0 0 317.345 0.429 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000158851335 416003023 /nfs/dbraw/zinc/00/30/23/416003023.db2.gz ZUMGUWKJFFJLFM-CQSZACIVSA-N 0 0 314.407 0.618 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000158820237 416003356 /nfs/dbraw/zinc/00/33/56/416003356.db2.gz HLIKCWOOQMHBSW-UWVGGRQHSA-N 0 0 301.364 0.768 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000356939984 416009456 /nfs/dbraw/zinc/00/94/56/416009456.db2.gz SQMGMJFAGPGVRY-UKRRQHHQSA-N 0 0 319.361 0.506 10 0 DCAERN O=C(NN1CCOCC1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000161641523 416012551 /nfs/dbraw/zinc/01/25/51/416012551.db2.gz XUORJNGBTMFJMA-NSHDSACASA-N 0 0 309.391 0.716 10 0 DCAERN COC(=O)c1cccc(C(=O)NC[C@@H](C)N2CCCCC2=O)n1 ZINC000356986627 416015673 /nfs/dbraw/zinc/01/56/73/416015673.db2.gz PQBHUDZLBFJISN-LLVKDONJSA-N 0 0 319.361 0.999 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000165926396 416020618 /nfs/dbraw/zinc/02/06/18/416020618.db2.gz SJYSINJWRBCBAZ-HNNXBMFYSA-N 0 0 303.318 0.428 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000166895864 416023082 /nfs/dbraw/zinc/02/30/82/416023082.db2.gz CUUCEJSNMRKDJD-NSHDSACASA-N 0 0 311.288 0.640 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000168987519 416026196 /nfs/dbraw/zinc/02/61/96/416026196.db2.gz ZUBXNPGTXVVKJK-NAISLTENSA-N 0 0 311.359 0.595 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC000301370152 416081906 /nfs/dbraw/zinc/08/19/06/416081906.db2.gz SFAGXGPBNVWAKX-UHFFFAOYSA-N 0 0 319.409 0.088 10 0 DCAERN CN1CCO[C@@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640462 416082815 /nfs/dbraw/zinc/08/28/15/416082815.db2.gz XQGWKFLYOBFHBB-CQSZACIVSA-N 0 0 304.394 0.497 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301497121 416085524 /nfs/dbraw/zinc/08/55/24/416085524.db2.gz CRFHFNFIVXFMOH-LLVKDONJSA-N 0 0 319.409 0.953 10 0 DCAERN CCOC(=O)CN1CCCN(c2ncccc2C(=O)NC)CC1 ZINC000301559661 416086665 /nfs/dbraw/zinc/08/66/65/416086665.db2.gz IOYBGGYMRMLBBD-UHFFFAOYSA-N 0 0 320.393 0.516 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000174750813 416086731 /nfs/dbraw/zinc/08/67/31/416086731.db2.gz VITCLXBEPBEINZ-ZIAGYGMSSA-N 0 0 301.431 0.661 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCOC(C)C)CCN1CCOC ZINC000175119482 416097402 /nfs/dbraw/zinc/09/74/02/416097402.db2.gz SIKZYLGRPSMHQN-AWEZNQCLSA-N 0 0 322.471 0.784 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000312707796 416106341 /nfs/dbraw/zinc/10/63/41/416106341.db2.gz CROPROOTOKDMSQ-SECBINFHSA-N 0 0 314.260 0.909 10 0 DCAERN CNC(=O)c1ccc(CNC(=O)NCCc2cn[nH]c2)cc1 ZINC000357638734 416110123 /nfs/dbraw/zinc/11/01/23/416110123.db2.gz MEOJBABROBIDPJ-UHFFFAOYSA-N 0 0 301.350 0.811 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)N[C@H]1CCCn2ncnc21 ZINC000175821327 416114900 /nfs/dbraw/zinc/11/49/00/416114900.db2.gz VAECELGFGPHHQP-ZDUSSCGKSA-N 0 0 313.361 0.588 10 0 DCAERN COC[C@@H](CO)NC(=O)CCc1nc2ccccc2oc1=O ZINC000357716290 416119997 /nfs/dbraw/zinc/11/99/97/416119997.db2.gz MIVHOXOHHBZCBM-SNVBAGLBSA-N 0 0 306.318 0.244 10 0 DCAERN CCn1ccnc(NC[C@@H]2CCO[C@H]2c2ccnn2C)c1=O ZINC000328645934 416125734 /nfs/dbraw/zinc/12/57/34/416125734.db2.gz ZVFUEKPRZLOECM-WCQYABFASA-N 0 0 303.366 1.186 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C1 ZINC000176427655 416126205 /nfs/dbraw/zinc/12/62/05/416126205.db2.gz CXEGIDNTVFMIQG-AWEZNQCLSA-N 0 0 311.426 0.768 10 0 DCAERN CC[C@H](NC(=O)N1CCN(C2CC2)CC1)C(=O)N1CCOCC1 ZINC000176616699 416129550 /nfs/dbraw/zinc/12/95/50/416129550.db2.gz RVIIFTHKGJNIFM-AWEZNQCLSA-N 0 0 324.425 0.113 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)o1 ZINC000176644552 416130876 /nfs/dbraw/zinc/13/08/76/416130876.db2.gz TXFHWFSQLKZXFH-OCCSQVGLSA-N 0 0 315.329 0.836 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N(C)CC[C@H](C)O)CC2)n1 ZINC000176679014 416133046 /nfs/dbraw/zinc/13/30/46/416133046.db2.gz AFKXHJZKSMWRPC-LBPRGKRZSA-N 0 0 322.409 0.931 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-n2cncn2)c1 ZINC000176796882 416135180 /nfs/dbraw/zinc/13/51/80/416135180.db2.gz FGGNDQYVGIAXQA-GFCCVEGCSA-N 0 0 311.345 0.760 10 0 DCAERN Cc1cc(NC(=O)CN(C)C[C@@H](C)CS(C)(=O)=O)no1 ZINC000176955957 416138374 /nfs/dbraw/zinc/13/83/74/416138374.db2.gz SLTZDTBVQDTNOT-SECBINFHSA-N 0 0 303.384 0.534 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@@H]21 ZINC000328931357 416139761 /nfs/dbraw/zinc/13/97/61/416139761.db2.gz BDIFZXBUWYXFKM-KBPBESRZSA-N 0 0 317.393 1.291 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000328916648 416140006 /nfs/dbraw/zinc/14/00/06/416140006.db2.gz AOCMVQZAEWFXPB-UPJWGTAASA-N 0 0 302.440 0.752 10 0 DCAERN CC(C)S(=O)(=O)CCN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177232969 416143173 /nfs/dbraw/zinc/14/31/73/416143173.db2.gz BIMCOUUEJVOJTA-KGLIPLIRSA-N 0 0 304.456 0.462 10 0 DCAERN CN(C(=O)CCc1nnc[nH]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177220574 416143272 /nfs/dbraw/zinc/14/32/72/416143272.db2.gz BQISOMUIMKJJBH-GFCCVEGCSA-N 0 0 315.381 0.655 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1)N1CCOCC1 ZINC000177394580 416144125 /nfs/dbraw/zinc/14/41/25/416144125.db2.gz SJYUOCWZRVSTMZ-LSDHHAIUSA-N 0 0 321.425 0.778 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357867295 416145332 /nfs/dbraw/zinc/14/53/32/416145332.db2.gz DXOIBEGKLWAANP-QWRGUYRKSA-N 0 0 319.427 0.072 10 0 DCAERN Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2cnn(C)c2n1 ZINC000177830609 416152525 /nfs/dbraw/zinc/15/25/25/416152525.db2.gz HPYSJBISYNHBNL-NSHDSACASA-N 0 0 303.366 0.907 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCCF)C2=O)n(C)n1 ZINC000177879704 416154292 /nfs/dbraw/zinc/15/42/92/416154292.db2.gz IRWBULJQSMYYFS-LLVKDONJSA-N 0 0 311.361 0.883 10 0 DCAERN C[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177927704 416154330 /nfs/dbraw/zinc/15/43/30/416154330.db2.gz RRFGMIHUNPEWDM-HNNXBMFYSA-N 0 0 316.317 0.658 10 0 DCAERN COc1cccc([C@H]2CN(C(=O)C(=O)NC3CC3)CCO2)c1 ZINC000178601990 416166250 /nfs/dbraw/zinc/16/62/50/416166250.db2.gz BKMVDROODKZXOC-CQSZACIVSA-N 0 0 304.346 0.874 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C(C)C ZINC000178691492 416169018 /nfs/dbraw/zinc/16/90/18/416169018.db2.gz GAPASWBJGCNDDG-RWMBFGLXSA-N 0 0 300.399 0.847 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)NC)C(C)C)C1 ZINC000178677478 416169207 /nfs/dbraw/zinc/16/92/07/416169207.db2.gz ZVYVAHZULDMAKZ-JSGCOSHPSA-N 0 0 311.426 0.912 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000178677836 416169445 /nfs/dbraw/zinc/16/94/45/416169445.db2.gz XCLNKEXKEWCMEB-CHWSQXEVSA-N 0 0 309.410 0.522 10 0 DCAERN C[C@]1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCCC[C@@H]1O ZINC000178714213 416170771 /nfs/dbraw/zinc/17/07/71/416170771.db2.gz GLYVIDIGALGNFG-TYNCELHUSA-N 0 0 307.398 0.833 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)co1 ZINC000178888696 416176279 /nfs/dbraw/zinc/17/62/79/416176279.db2.gz ORCCWPFPVOKUOV-SNVBAGLBSA-N 0 0 302.352 0.439 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N[C@H](C(=O)NC)C(C)C)c1 ZINC000178907378 416176876 /nfs/dbraw/zinc/17/68/76/416176876.db2.gz GXBICAQKRJFZBY-LBPRGKRZSA-N 0 0 306.366 0.938 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccc(F)cc1F ZINC000178959134 416178833 /nfs/dbraw/zinc/17/88/33/416178833.db2.gz WREDGRHVRPPAST-NSHDSACASA-N 0 0 324.331 0.019 10 0 DCAERN CCn1cc(C(=O)C(=O)NCc2ccnc(-n3ccnc3)c2)cn1 ZINC000179164701 416183199 /nfs/dbraw/zinc/18/31/99/416183199.db2.gz MLSJGQFGXLIXMK-UHFFFAOYSA-N 0 0 324.344 0.983 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000151102589 196629892 /nfs/dbraw/zinc/62/98/92/196629892.db2.gz FIXFGLDSVVGEJN-RISCZKNCSA-N 0 0 302.440 0.864 10 0 DCAERN CC(C)NC(=O)CCNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000179091610 416183715 /nfs/dbraw/zinc/18/37/15/416183715.db2.gz BRQKBBQIUUWFFA-GFCCVEGCSA-N 0 0 308.378 0.977 10 0 DCAERN COC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179435771 416187256 /nfs/dbraw/zinc/18/72/56/416187256.db2.gz NIZQQRRWWHYOPJ-DOMZBBRYSA-N 0 0 322.336 0.977 10 0 DCAERN CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3c[nH]cn3)CC2)C1 ZINC000179514264 416187832 /nfs/dbraw/zinc/18/78/32/416187832.db2.gz IOBWAIXHEFJRRL-MRXNPFEDSA-N 0 0 307.442 0.637 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCNC(=O)[C@@H]2C(C)C)CC1 ZINC000179492680 416188551 /nfs/dbraw/zinc/18/85/51/416188551.db2.gz VNRDFEBRCAUXID-BPCQOVAHSA-N 0 0 310.394 0.949 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358140438 416200521 /nfs/dbraw/zinc/20/05/21/416200521.db2.gz LGZJDGYDGFKXKA-CABZTGNLSA-N 0 0 301.350 0.887 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CC(=O)Nc3c(C)ccnc32)C1 ZINC000180856233 416201016 /nfs/dbraw/zinc/20/10/16/416201016.db2.gz RKPAYPRGEQOWPE-LLVKDONJSA-N 0 0 316.361 0.934 10 0 DCAERN Cc1ccnc2c1NC(=O)CN2C(=O)CCCNC(=O)C1CC1 ZINC000181037585 416203142 /nfs/dbraw/zinc/20/31/42/416203142.db2.gz XXDAHLXOIDZORQ-UHFFFAOYSA-N 0 0 316.361 0.982 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC(=O)NCC1CC1 ZINC000181240612 416205006 /nfs/dbraw/zinc/20/50/06/416205006.db2.gz XPJJABXVUMXULI-JTQLQIEISA-N 0 0 321.425 0.793 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000181357236 416206132 /nfs/dbraw/zinc/20/61/32/416206132.db2.gz RVYODGULAZBDBR-CYBMUJFWSA-N 0 0 314.345 0.936 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181382384 416206824 /nfs/dbraw/zinc/20/68/24/416206824.db2.gz GMACKGZDCYXCDU-SWLSCSKDSA-N 0 0 315.377 0.756 10 0 DCAERN CC1=CCN(CCNC(=O)N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC000358194145 416209381 /nfs/dbraw/zinc/20/93/81/416209381.db2.gz RORUOXHPIGSAGH-CYBMUJFWSA-N 0 0 317.455 0.713 10 0 DCAERN O=C(NCCc1cn[nH]c1)NCc1ccccc1OCCO ZINC000358193422 416209602 /nfs/dbraw/zinc/20/96/02/416209602.db2.gz JPGVRQCRFSHZFC-UHFFFAOYSA-N 0 0 304.350 0.823 10 0 DCAERN COCCCS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729571 416212069 /nfs/dbraw/zinc/21/20/69/416212069.db2.gz PYSXZELRLNLSMZ-NSHDSACASA-N 0 0 316.427 0.672 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([C@@H](C)O)C1)CC2 ZINC000181770174 416212104 /nfs/dbraw/zinc/21/21/04/416212104.db2.gz LVESWOGKVGULIU-GRYCIOLGSA-N 0 0 307.398 0.568 10 0 DCAERN O=C(C1=COCCO1)N1CCC(c2ccnn2CCO)CC1 ZINC000181913646 416212204 /nfs/dbraw/zinc/21/22/04/416212204.db2.gz GNBHPOUXZPSHTH-UHFFFAOYSA-N 0 0 307.350 0.470 10 0 DCAERN CO[C@H](C)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000182002506 416214262 /nfs/dbraw/zinc/21/42/62/416214262.db2.gz MFEQHABVVGJRRP-OAHLLOKOSA-N 0 0 305.422 0.955 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)c1nc[nH]n1 ZINC000182392744 416220853 /nfs/dbraw/zinc/22/08/53/416220853.db2.gz UAWKEAOWBBJAPS-GHMZBOCLSA-N 0 0 316.369 0.624 10 0 DCAERN Cn1cnn(CC(=O)N2CCO[C@H](c3ccsc3)C2)c1=O ZINC000182388332 416221279 /nfs/dbraw/zinc/22/12/79/416221279.db2.gz XGYIXLUSNACUEH-NSHDSACASA-N 0 0 308.363 0.243 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(O)cc1O)CC2 ZINC000182451049 416223458 /nfs/dbraw/zinc/22/34/58/416223458.db2.gz IYSDKCXHFNFMIO-VIFPVBQESA-N 0 0 302.334 0.997 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178328202 416160316 /nfs/dbraw/zinc/16/03/16/416160316.db2.gz PESIYSFWVCBPRL-WBMJQRKESA-N 0 0 302.330 0.300 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178539718 416166032 /nfs/dbraw/zinc/16/60/32/416166032.db2.gz PAXIRXXCCJEZIA-XJKSGUPXSA-N 0 0 324.340 0.271 10 0 DCAERN COc1ccccc1C(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000183556369 416245572 /nfs/dbraw/zinc/24/55/72/416245572.db2.gz KTXBTWXQAJHQBM-GFCCVEGCSA-N 0 0 306.362 0.715 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)cc21 ZINC000183968768 416249412 /nfs/dbraw/zinc/24/94/12/416249412.db2.gz BSUBMZWZKQPAKL-UHFFFAOYSA-N 0 0 324.406 0.911 10 0 DCAERN C[C@H]1CN(CC(=O)N(C2CC2)C2CCCC2)CCN1CCO ZINC000187666471 416261781 /nfs/dbraw/zinc/26/17/81/416261781.db2.gz PFHVWZIUUCUKJP-AWEZNQCLSA-N 0 0 309.454 0.918 10 0 DCAERN COC(=O)Cc1cccc(C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000188194927 416263191 /nfs/dbraw/zinc/26/31/91/416263191.db2.gz LDNJFCKNZGLGNU-CYBMUJFWSA-N 0 0 320.389 0.853 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188723119 416264436 /nfs/dbraw/zinc/26/44/36/416264436.db2.gz XJVWJZAXXSQUDT-CYBMUJFWSA-N 0 0 320.389 0.541 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000189649471 416268593 /nfs/dbraw/zinc/26/85/93/416268593.db2.gz JQWMEBGCHCJMLQ-NSHDSACASA-N 0 0 318.377 0.947 10 0 DCAERN COc1ncccc1CNC(=O)NCc1cc(C(N)=O)co1 ZINC000190174391 416276090 /nfs/dbraw/zinc/27/60/90/416276090.db2.gz SRBFYILKLCOXFX-UHFFFAOYSA-N 0 0 304.306 0.782 10 0 DCAERN CN1CC(=O)N(CC(=O)NCc2ccc3cc[nH]c3n2)C1=O ZINC000358426040 416235808 /nfs/dbraw/zinc/23/58/08/416235808.db2.gz SCDUWCBRIVBMFJ-UHFFFAOYSA-N 0 0 301.306 0.073 10 0 DCAERN CC1=C(C(=O)NC[C@@H]2CN(C)CCO2)[C@@H](C)n2ncnc2N1C ZINC000192197342 416300810 /nfs/dbraw/zinc/30/08/10/416300810.db2.gz ORAJMJILDQXNBG-VXGBXAGGSA-N 0 0 320.397 0.010 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCC1(C)OCCCO1 ZINC000192222691 416301768 /nfs/dbraw/zinc/30/17/68/416301768.db2.gz SRQUFAFLRUOURO-UHFFFAOYSA-N 0 0 323.802 0.813 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC000192481457 416306186 /nfs/dbraw/zinc/30/61/86/416306186.db2.gz KGWXTKJSUYJUSY-UONOGXRCSA-N 0 0 312.410 0.756 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NC[C@H](C)O ZINC000192539768 416308476 /nfs/dbraw/zinc/30/84/76/416308476.db2.gz KFCWBMMIVZXCMN-MNOVXSKESA-N 0 0 304.350 0.465 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193228654 416314635 /nfs/dbraw/zinc/31/46/35/416314635.db2.gz IFQJMJRBYXCFBN-OAHLLOKOSA-N 0 0 303.318 0.374 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193377495 416316199 /nfs/dbraw/zinc/31/61/99/416316199.db2.gz KMZFDLAHBHGVER-SECBINFHSA-N 0 0 300.318 0.453 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2cc[nH]c2c1)C(=O)N(C)C ZINC000193524037 416317558 /nfs/dbraw/zinc/31/75/58/416317558.db2.gz WUDNYVBLWXDTRQ-VIFPVBQESA-N 0 0 302.334 0.699 10 0 DCAERN O=C(CN1C(=O)[C@@H]2C[C@@H]2C1=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193694678 416318738 /nfs/dbraw/zinc/31/87/38/416318738.db2.gz GXICWEGVERULBI-HLTSFMKQSA-N 0 0 304.268 0.792 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000193750189 416319105 /nfs/dbraw/zinc/31/91/05/416319105.db2.gz CZJNXWANFCXHQO-SNVBAGLBSA-N 0 0 314.411 0.544 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1nccs1 ZINC000193697816 416319189 /nfs/dbraw/zinc/31/91/89/416319189.db2.gz CNKPCSDKAXNGOI-UHFFFAOYSA-N 0 0 316.342 0.463 10 0 DCAERN Cn1ncc2c1nc(Nc1ccc(N3CCC3=O)cc1)[nH]c2=O ZINC000359307218 416320861 /nfs/dbraw/zinc/32/08/61/416320861.db2.gz XRAVUGBOUIATGN-UHFFFAOYSA-N 0 0 310.317 1.549 10 0 DCAERN CC[C@@H]1CCCCCN1C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000190639707 416280601 /nfs/dbraw/zinc/28/06/01/416280601.db2.gz VRFFJTDVDPZPAA-GFCCVEGCSA-N 0 0 321.381 0.488 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCCOC)CCN1C[C@H](C)O ZINC000248477759 416333530 /nfs/dbraw/zinc/33/35/30/416333530.db2.gz OXWOJQRSCIFQQC-UONOGXRCSA-N 0 0 322.471 0.520 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)c2n[nH]c(C)c2C)CC1 ZINC000265186768 416340713 /nfs/dbraw/zinc/34/07/13/416340713.db2.gz GWCRVAVCXSAAHG-UHFFFAOYSA-N 0 0 314.411 0.570 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)NCCc1nnc[nH]1)c2O ZINC000359364975 416343496 /nfs/dbraw/zinc/34/34/96/416343496.db2.gz PIFIZLQCUUFGSN-UHFFFAOYSA-N 0 0 313.317 0.627 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)N[C@@H]1CC[S@@](=O)C1)c2O ZINC000359445383 416345910 /nfs/dbraw/zinc/34/59/10/416345910.db2.gz XAFXNKZUAILGPP-PVBMHHQDSA-N 0 0 320.370 0.788 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000195341362 416326108 /nfs/dbraw/zinc/32/61/08/416326108.db2.gz AUSSEKBNOFYPKG-ZFWWWQNUSA-N 0 0 315.373 0.688 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)s1 ZINC000416320915 416366188 /nfs/dbraw/zinc/36/61/88/416366188.db2.gz ZQSPUVVXVGQMHO-UWVGGRQHSA-N 0 0 311.407 0.873 10 0 DCAERN O=S(=O)(CC12CCC(CC1)C2)N1CCN2CCOC[C@@H]2C1 ZINC000360210847 416379637 /nfs/dbraw/zinc/37/96/37/416379637.db2.gz DGBNVRGEAPZPGU-SLTAFYQDSA-N 0 0 314.451 0.913 10 0 DCAERN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC(=O)N(C)C1 ZINC000360492201 416392919 /nfs/dbraw/zinc/39/29/19/416392919.db2.gz QMNREQUHULXBFP-CYBMUJFWSA-N 0 0 322.361 0.369 10 0 DCAERN CN1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1=O ZINC000360502892 416394095 /nfs/dbraw/zinc/39/40/95/416394095.db2.gz HBWPYKLXMWPBLE-UHFFFAOYSA-N 0 0 320.368 0.206 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC(N)=O)cc1 ZINC000360511079 416394524 /nfs/dbraw/zinc/39/45/24/416394524.db2.gz ZEDFWRRWNZYMGS-QMMMGPOBSA-N 0 0 300.336 0.015 10 0 DCAERN CCO[C@@H](C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360798340 416410746 /nfs/dbraw/zinc/41/07/46/416410746.db2.gz CDLCONXMAQBNQZ-RYUDHWBXSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(C)cc(CCNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458434182 416466902 /nfs/dbraw/zinc/46/69/02/416466902.db2.gz CSOIRRNBNZNGLS-HNNXBMFYSA-N 0 0 317.393 0.798 10 0 DCAERN Cc1ccc(C[C@H](C)NC(=O)NC[C@H](O)Cn2ccnn2)s1 ZINC000458436535 416468573 /nfs/dbraw/zinc/46/85/73/416468573.db2.gz PKZHERAWPZAFOH-JQWIXIFHSA-N 0 0 323.422 0.939 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nc(N(C)C)no2)C1 ZINC000583618867 416477843 /nfs/dbraw/zinc/47/78/43/416477843.db2.gz UPVNULOXXNECFT-RYUDHWBXSA-N 0 0 323.397 0.347 10 0 DCAERN CN(Cc1ccco1)C(=O)CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617989 416478842 /nfs/dbraw/zinc/47/88/42/416478842.db2.gz QSFZKBBHNXZQCD-OAHLLOKOSA-N 0 0 319.365 0.340 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)on1 ZINC000583621071 416479816 /nfs/dbraw/zinc/47/98/16/416479816.db2.gz WZPFBPVICSJHNH-YGRLFVJLSA-N 0 0 316.317 0.780 10 0 DCAERN Cn1ccc(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000583621072 416480110 /nfs/dbraw/zinc/48/01/10/416480110.db2.gz XIWWJTOLMSOYQR-CJNGLKHVSA-N 0 0 313.361 0.446 10 0 DCAERN CN1C[C@H](NC(=O)c2cncnc2N)CC[C@H]1C(F)(F)F ZINC000583620077 416480832 /nfs/dbraw/zinc/48/08/32/416480832.db2.gz UXDYNAHTFYWVIU-APPZFPTMSA-N 0 0 303.288 0.814 10 0 DCAERN O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1cccc2c1CCO2 ZINC000361712705 416484067 /nfs/dbraw/zinc/48/40/67/416484067.db2.gz SUSJRHYOOMESQO-JTQLQIEISA-N 0 0 318.251 0.599 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NCC3(O)CCC3)no2)CCCC1 ZINC000434594725 416486295 /nfs/dbraw/zinc/48/62/95/416486295.db2.gz FUCYGZGGEDKUTJ-UHFFFAOYSA-N 0 0 321.377 1.476 10 0 DCAERN O=C(NC[C@H]1COCCO1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361037974 416419156 /nfs/dbraw/zinc/41/91/56/416419156.db2.gz NTUJLWRDAXWOLF-ONGXEEELSA-N 0 0 312.288 0.501 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361193445 416425155 /nfs/dbraw/zinc/42/51/55/416425155.db2.gz FCJYPYDILXOINY-LLVKDONJSA-N 0 0 311.304 0.564 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000361944061 416529177 /nfs/dbraw/zinc/52/91/77/416529177.db2.gz GHEZWCSLSQCAQD-QWRGUYRKSA-N 0 0 324.381 0.090 10 0 DCAERN Cn1cc(C(=O)NCCN2C(=O)CNC2=O)c2cc(F)ccc21 ZINC000435706615 416534288 /nfs/dbraw/zinc/53/42/88/416534288.db2.gz ORFIFXNYMADEPX-UHFFFAOYSA-N 0 0 318.308 0.599 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000361965339 416535767 /nfs/dbraw/zinc/53/57/67/416535767.db2.gz BOPXDDPDUGSQCZ-UHFFFAOYSA-N 0 0 309.370 0.359 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)CC1=O ZINC000362013702 416546152 /nfs/dbraw/zinc/54/61/52/416546152.db2.gz QFEUNHLXTJHEBN-GFCCVEGCSA-N 0 0 321.356 0.283 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459506310 416546593 /nfs/dbraw/zinc/54/65/93/416546593.db2.gz PNCTUOLILDRMFA-IINYFYTJSA-N 0 0 311.407 0.629 10 0 DCAERN CCCc1csc(NC(=O)NC[C@H](O)Cn2ccnn2)n1 ZINC000459492571 416547458 /nfs/dbraw/zinc/54/74/58/416547458.db2.gz WZIVUDAZJNPWIS-JTQLQIEISA-N 0 0 310.383 0.870 10 0 DCAERN COc1cccc(CCNC(=O)N(C)CC2(O)CCOCC2)n1 ZINC000436225337 416552202 /nfs/dbraw/zinc/55/22/02/416552202.db2.gz YHJBSDWXCYIJQH-UHFFFAOYSA-N 0 0 323.393 0.816 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N(CCO)C2CCOCC2)[nH]n1 ZINC000436381531 416556009 /nfs/dbraw/zinc/55/60/09/416556009.db2.gz BDVJUBDDSNYOBR-LLVKDONJSA-N 0 0 310.398 0.832 10 0 DCAERN Cn1cc([C@H](NC(=O)NC[C@H](O)C(F)F)C(F)(F)F)cn1 ZINC000436383683 416556946 /nfs/dbraw/zinc/55/69/46/416556946.db2.gz BVGOSIQCWQKECJ-BQBZGAKWSA-N 0 0 316.230 0.949 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(C)CC3)sc2C1 ZINC000434767878 416495913 /nfs/dbraw/zinc/49/59/13/416495913.db2.gz UFRLTRQZURYBKF-JTQLQIEISA-N 0 0 322.434 0.980 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000534256688 416496206 /nfs/dbraw/zinc/49/62/06/416496206.db2.gz GZLMCWBPGBUNBA-BDAKNGLRSA-N 0 0 323.319 0.075 10 0 DCAERN O=C(NCCCc1ccccc1F)NC[C@@H](O)Cn1ccnn1 ZINC000458754438 416496492 /nfs/dbraw/zinc/49/64/92/416496492.db2.gz WMUOYWBUCXTDNT-CYBMUJFWSA-N 0 0 321.356 0.710 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N3CC[C@H](CO)C3)no2)CCCC1 ZINC000434909338 416504359 /nfs/dbraw/zinc/50/43/59/416504359.db2.gz LFMALTDZUXNXPF-NSHDSACASA-N 0 0 321.377 1.286 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cn1 ZINC000361850558 416508694 /nfs/dbraw/zinc/50/86/94/416508694.db2.gz RJPDTDRKBGHAQY-IONNQARKSA-N 0 0 316.308 0.671 10 0 DCAERN CN(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)C1CC(O)C1 ZINC000435107347 416510162 /nfs/dbraw/zinc/51/01/62/416510162.db2.gz GTKDBLWOIJIENX-UHFFFAOYSA-N 0 0 321.377 1.427 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000534992780 416511640 /nfs/dbraw/zinc/51/16/40/416511640.db2.gz BVPZFEWBDSFWCU-MRVPVSSYSA-N 0 0 312.292 0.408 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCSC[C@H]1CCO ZINC000458964076 416515450 /nfs/dbraw/zinc/51/54/50/416515450.db2.gz FIYSNKYLXHQXKZ-JHJVBQTASA-N 0 0 318.439 0.547 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NC3(CO)CCC3)no2)CCCC1 ZINC000435305336 416517038 /nfs/dbraw/zinc/51/70/38/416517038.db2.gz GMZPUVDAWYUGKI-UHFFFAOYSA-N 0 0 321.377 1.476 10 0 DCAERN CN(Cc1nc[nH]n1)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000435293376 416517410 /nfs/dbraw/zinc/51/74/10/416517410.db2.gz YARYBCGDLJJBRW-UHFFFAOYSA-N 0 0 315.333 0.727 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)NC1(CO)CCOCC1 ZINC000540924342 416598904 /nfs/dbraw/zinc/59/89/04/416598904.db2.gz YBQYKGUHNYFLJJ-UHFFFAOYSA-N 0 0 316.361 0.603 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N2CCSC[C@@H]2CCO)CCC1 ZINC000438599962 416599226 /nfs/dbraw/zinc/59/92/26/416599226.db2.gz SUIKUPBYIZBMEJ-PRWKNARSSA-N 0 0 320.480 0.797 10 0 DCAERN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cccc(O)c1 ZINC000540964628 416601068 /nfs/dbraw/zinc/60/10/68/416601068.db2.gz DJMUYBOOMXZAMN-WCQYABFASA-N 0 0 321.329 0.959 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000362669001 416568829 /nfs/dbraw/zinc/56/88/29/416568829.db2.gz SWQPAXVWEJOCPR-MNOVXSKESA-N 0 0 320.393 1.531 10 0 DCAERN O=C(CNC(=O)N1CCN(CC(F)F)CC1)NCC1CC1 ZINC000538709795 416571878 /nfs/dbraw/zinc/57/18/78/416571878.db2.gz KNJNDWOHFZCSRK-UHFFFAOYSA-N 0 0 304.341 0.105 10 0 DCAERN CCCS(=O)(=O)CC(=O)NC(C)(C)c1noc(CC)n1 ZINC000441725898 416679757 /nfs/dbraw/zinc/67/97/57/416679757.db2.gz HPJCZVGTNNWUTE-UHFFFAOYSA-N 0 0 303.384 0.808 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccn(Cc2ccccc2)n1 ZINC000547733473 416681331 /nfs/dbraw/zinc/68/13/31/416681331.db2.gz DMQHXLDSFWRWIO-UHFFFAOYSA-N 0 0 314.345 0.729 10 0 DCAERN C[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440133978 416627523 /nfs/dbraw/zinc/62/75/23/416627523.db2.gz NRLBHMHBZAFVEN-QWRGUYRKSA-N 0 0 307.398 1.524 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)C[C@H]1C ZINC000368240862 416660770 /nfs/dbraw/zinc/66/07/70/416660770.db2.gz DVNTYZVVOXLZMU-XVIXHAIJSA-N 0 0 311.378 0.696 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCCCn1cccn1 ZINC000623095181 416742587 /nfs/dbraw/zinc/74/25/87/416742587.db2.gz GWKCHIZTSTYDKA-CHWSQXEVSA-N 0 0 318.381 0.836 10 0 DCAERN COCCOc1cccc(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443269807 416745627 /nfs/dbraw/zinc/74/56/27/416745627.db2.gz MGULENBDAXEISA-UHFFFAOYSA-N 0 0 310.350 0.491 10 0 DCAERN C[C@@H]1Oc2ccc(NC(=O)C(=O)N(C)CCCO)cc2NC1=O ZINC000443331088 416750546 /nfs/dbraw/zinc/75/05/46/416750546.db2.gz LCKHGPGCBPWAPH-VIFPVBQESA-N 0 0 321.333 0.185 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000442256721 416689356 /nfs/dbraw/zinc/68/93/56/416689356.db2.gz SLWCOBSDTIRUOA-GHMZBOCLSA-N 0 0 307.398 0.526 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368834691 416697746 /nfs/dbraw/zinc/69/77/46/416697746.db2.gz PEHUVTDZQAQMAX-MRXNPFEDSA-N 0 0 318.421 0.979 10 0 DCAERN CN(CCCO)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000442645415 416702166 /nfs/dbraw/zinc/70/21/66/416702166.db2.gz GCYWGMMZHJQKOC-UHFFFAOYSA-N 0 0 308.382 0.442 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CN2CCOCC2=O)C12CCCC2 ZINC000369085725 416721888 /nfs/dbraw/zinc/72/18/88/416721888.db2.gz SQJGJPQGOXKART-QWHCGFSZSA-N 0 0 310.394 0.699 10 0 DCAERN CN(CCCO)C(=O)c1cnn(CCO)c1-c1ccccc1 ZINC000442988262 416724752 /nfs/dbraw/zinc/72/47/52/416724752.db2.gz FQDOHJQOUNHORT-UHFFFAOYSA-N 0 0 303.362 0.997 10 0 DCAERN Cc1cc(CCNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)on1 ZINC000557140957 416725790 /nfs/dbraw/zinc/72/57/90/416725790.db2.gz YPXKJRJVYIEWHB-BETUJISGSA-N 0 0 319.361 0.817 10 0 DCAERN CO[C@@H]1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C)C1 ZINC000443132219 416732700 /nfs/dbraw/zinc/73/27/00/416732700.db2.gz KOUSGLPZFHPWTB-GHMZBOCLSA-N 0 0 323.397 0.998 10 0 DCAERN CCOC(=O)CCCS(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000443141610 416734080 /nfs/dbraw/zinc/73/40/80/416734080.db2.gz GBDAPJUIHJBOKV-ZETCQYMHSA-N 0 0 307.290 0.172 10 0 DCAERN CCc1nc(C(C)(C)NS(=O)(=O)CCOCCOC)no1 ZINC000443162014 416734249 /nfs/dbraw/zinc/73/42/49/416734249.db2.gz XIHFAQYLPWHRJR-UHFFFAOYSA-N 0 0 321.399 0.450 10 0 DCAERN CC(=O)N1CCCCC[C@H]1C1CCN(CC(=O)NC(N)=O)CC1 ZINC000369256673 416736891 /nfs/dbraw/zinc/73/68/91/416736891.db2.gz YIUBCARZEBHVPT-AWEZNQCLSA-N 0 0 324.425 0.684 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)NCCc2cc(C)no2)cc1C ZINC000558399923 416767795 /nfs/dbraw/zinc/76/77/95/416767795.db2.gz YQIQTRDSZQOURH-UHFFFAOYSA-N 0 0 320.353 0.598 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCOCC2CCC2)C1=O ZINC000558649226 416783552 /nfs/dbraw/zinc/78/35/52/416783552.db2.gz UFSMNRUOGAVOPM-INIZCTEOSA-N 0 0 323.393 0.640 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623275240 416791266 /nfs/dbraw/zinc/79/12/66/416791266.db2.gz CZZUTKHRRZWFFX-WBVHZDCISA-N 0 0 324.384 0.897 10 0 DCAERN Cc1nc(NCCOCC2CCC2)sc1S(N)(=O)=O ZINC000558787544 416795357 /nfs/dbraw/zinc/79/53/57/416795357.db2.gz SNTVUVYHFOPJNZ-UHFFFAOYSA-N 0 0 305.425 1.328 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000369558933 416795517 /nfs/dbraw/zinc/79/55/17/416795517.db2.gz FACAVISSXWMKGE-YPMHNXCESA-N 0 0 312.414 0.003 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CCOC1 ZINC000517772831 416824903 /nfs/dbraw/zinc/82/49/03/416824903.db2.gz OFKNOAGOOACGJG-RVMXOQNASA-N 0 0 310.394 0.554 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000632013834 416867064 /nfs/dbraw/zinc/86/70/64/416867064.db2.gz UVGLQUHVEVVYIR-GARJFASQSA-N 0 0 308.300 0.912 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000632013835 416867518 /nfs/dbraw/zinc/86/75/18/416867518.db2.gz UVGLQUHVEVVYIR-OUAUKWLOSA-N 0 0 308.300 0.912 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3C[C@H](F)C[C@H]3CO)cnc12 ZINC000444565164 416848138 /nfs/dbraw/zinc/84/81/38/416848138.db2.gz AXBXCGKLNNHCRR-MNOVXSKESA-N 0 0 305.309 0.548 10 0 DCAERN Cc1cc(CCNC(=O)Nc2nc3nc(C)cc(C)n3n2)on1 ZINC000560509959 416854263 /nfs/dbraw/zinc/85/42/63/416854263.db2.gz XPYAVIOBHKBSMG-UHFFFAOYSA-N 0 0 315.337 1.402 10 0 DCAERN CCN(CC(=O)OC)C(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000520432961 416963164 /nfs/dbraw/zinc/96/31/64/416963164.db2.gz WRXZTCBLZUSZAA-LBPRGKRZSA-N 0 0 307.350 0.808 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC12COC2 ZINC000615932923 416937630 /nfs/dbraw/zinc/93/76/30/416937630.db2.gz WLJYMHHFYSFLDX-OAHLLOKOSA-N 0 0 300.358 0.961 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000372854966 416946294 /nfs/dbraw/zinc/94/62/94/416946294.db2.gz HVWDUNFRLTXIBE-GFCCVEGCSA-N 0 0 317.324 1.356 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCc1nnc2ccccn21 ZINC000447184709 416969295 /nfs/dbraw/zinc/96/92/95/416969295.db2.gz PEJYWNYNYLVOEW-UHFFFAOYSA-N 0 0 312.351 0.102 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCSCC1 ZINC000624245054 416987917 /nfs/dbraw/zinc/98/79/17/416987917.db2.gz XVDVAKBIPFJNEH-UHFFFAOYSA-N 0 0 315.439 0.371 10 0 DCAERN CCOC(=O)c1csc(NCCCCS(N)(=O)=O)n1 ZINC000389081643 417096167 /nfs/dbraw/zinc/09/61/67/417096167.db2.gz DFBGAPFYXWTLJX-UHFFFAOYSA-N 0 0 307.397 0.800 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000377155960 417049708 /nfs/dbraw/zinc/04/97/08/417049708.db2.gz WAKPNKZMLGAPGZ-SOUVJXGZSA-N 0 0 324.421 0.899 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000632373824 417050355 /nfs/dbraw/zinc/05/03/55/417050355.db2.gz GUGDRMMWBKQIIX-RDBSUJKOSA-N 0 0 308.378 0.594 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1ccnnc1 ZINC000616638896 417086649 /nfs/dbraw/zinc/08/66/49/417086649.db2.gz KHSFQBHDHUTNBL-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(S(N)(=O)=O)CC1 ZINC000616630315 417086708 /nfs/dbraw/zinc/08/67/08/417086708.db2.gz VDUVINBMMVBJTQ-SNVBAGLBSA-N 0 0 307.416 0.817 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2cc(N)n[nH]2)C1 ZINC000616647062 417087368 /nfs/dbraw/zinc/08/73/68/417087368.db2.gz SHTDXNIKPCJSNA-LLVKDONJSA-N 0 0 311.386 0.890 10 0 DCAERN CS(=O)(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616643912 417087786 /nfs/dbraw/zinc/08/77/86/417087786.db2.gz IMGVAFQYRAQECA-LLVKDONJSA-N 0 0 305.377 0.078 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2c[nH]nc2N)C1 ZINC000616652424 417090590 /nfs/dbraw/zinc/09/05/90/417090590.db2.gz FXDZGPHLYKEZKQ-LLVKDONJSA-N 0 0 310.402 0.463 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cc3ccccc3cn2)C1 ZINC000616663301 417090752 /nfs/dbraw/zinc/09/07/52/417090752.db2.gz JPPLZXSFUODWHB-CYBMUJFWSA-N 0 0 307.375 0.854 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCO[C@@H](c2nc[nH]n2)C1 ZINC000616661287 417090890 /nfs/dbraw/zinc/09/08/90/417090890.db2.gz ZBCAGUBUEXYCBC-GFCCVEGCSA-N 0 0 308.363 0.957 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](S(C)(=O)=O)CC1 ZINC000616665589 417091366 /nfs/dbraw/zinc/09/13/66/417091366.db2.gz NGNDBRGTIRSZTI-LLVKDONJSA-N 0 0 322.427 0.604 10 0 DCAERN CS(=O)(=O)N1CCO[C@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616666007 417091528 /nfs/dbraw/zinc/09/15/28/417091528.db2.gz FKSMEVQDCNLPGP-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN Nc1ncccc1[C@H]1c2ccccc2CCN1S(N)(=O)=O ZINC000616679468 417093969 /nfs/dbraw/zinc/09/39/69/417093969.db2.gz BIMZJPLJDKAVBS-CYBMUJFWSA-N 0 0 304.375 0.815 10 0 DCAERN O=C(COc1ccccc1F)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616766712 417107548 /nfs/dbraw/zinc/10/75/48/417107548.db2.gz MFQFPOOCWIMMEH-YWPYICTPSA-N 0 0 305.309 0.892 10 0 DCAERN CC(C)n1ncnc1CN[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400192677 417110505 /nfs/dbraw/zinc/11/05/05/417110505.db2.gz VUTIJDHCMGUVCO-NSHDSACASA-N 0 0 301.416 0.373 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000524580192 417111172 /nfs/dbraw/zinc/11/11/72/417111172.db2.gz NLFUJYYSQUOPCO-JTQLQIEISA-N 0 0 309.322 0.042 10 0 DCAERN CC(C)(C)n1cnc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)n1 ZINC000616777262 417113761 /nfs/dbraw/zinc/11/37/61/417113761.db2.gz YBAJXBYGFHFGHN-VWYCJHECSA-N 0 0 304.354 0.334 10 0 DCAERN CNS(=O)(=O)c1ccccc1NCC[C@@]1(O)CCOC1 ZINC000404188261 417117985 /nfs/dbraw/zinc/11/79/85/417117985.db2.gz HPYNAUVPALJZSN-CYBMUJFWSA-N 0 0 300.380 0.548 10 0 DCAERN O=S(=O)(Cc1ccccc1F)NCC[C@]1(O)CCOC1 ZINC000404180139 417118201 /nfs/dbraw/zinc/11/82/01/417118201.db2.gz JPWIIIXWZMJRHN-ZDUSSCGKSA-N 0 0 303.355 0.787 10 0 DCAERN CO[C@@H]1CN(C(=O)c2nscc2Br)C[C@H]1O ZINC000404941824 417119994 /nfs/dbraw/zinc/11/99/94/417119994.db2.gz MEUULHMLIBFTED-RNFRBKRXSA-N 0 0 307.169 0.737 10 0 DCAERN O=C(NCCn1ncnn1)c1nscc1Br ZINC000404856202 417120156 /nfs/dbraw/zinc/12/01/56/417120156.db2.gz VLQCPMSZAQQSLM-UHFFFAOYSA-N 0 0 303.145 0.322 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC(C)(C)O1 ZINC000408029430 417132741 /nfs/dbraw/zinc/13/27/41/417132741.db2.gz BUFJZTLULHAISY-MCIONIFRSA-N 0 0 314.426 0.748 10 0 DCAERN CN(C(=O)N(CC(C)(C)O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000408018457 417134069 /nfs/dbraw/zinc/13/40/69/417134069.db2.gz SCOFGXFDFUXBKG-NSHDSACASA-N 0 0 304.412 0.461 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)C[C@H](C)[S@@]1=O ZINC000407990525 417134537 /nfs/dbraw/zinc/13/45/37/417134537.db2.gz LQTBFTGUYYUQAG-APJWKNSMSA-N 0 0 312.395 0.230 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408113398 417140449 /nfs/dbraw/zinc/14/04/49/417140449.db2.gz SASPOMUCACRUGB-LBPRGKRZSA-N 0 0 322.409 0.404 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000408093145 417140923 /nfs/dbraw/zinc/14/09/23/417140923.db2.gz UTKTUPJUGZPALU-CQSZACIVSA-N 0 0 317.393 0.890 10 0 DCAERN Cc1c(C(=O)N2CCC[C@H](O)CC2)cccc1S(N)(=O)=O ZINC000408178432 417145491 /nfs/dbraw/zinc/14/54/91/417145491.db2.gz QQSIFJVEBQBVGN-NSHDSACASA-N 0 0 312.391 0.629 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000408203592 417147094 /nfs/dbraw/zinc/14/70/94/417147094.db2.gz LOIHYRSRQJSERI-SECBINFHSA-N 0 0 301.286 0.089 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000408271892 417151897 /nfs/dbraw/zinc/15/18/97/417151897.db2.gz SLHUWHHDYCSZNZ-INWMFGNUSA-N 0 0 316.405 0.764 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408258654 417151983 /nfs/dbraw/zinc/15/19/83/417151983.db2.gz ZIRZPQGGWUBTHZ-KGYLQXTDSA-N 0 0 320.411 0.020 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408050369 299023324 /nfs/dbraw/zinc/02/33/24/299023324.db2.gz CILHGTAVPTXFHE-AXFHLTTASA-N 0 0 310.398 0.162 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000526028063 417175209 /nfs/dbraw/zinc/17/52/09/417175209.db2.gz MLQOMOHXRUUKAH-QLPKVWCKSA-N 0 0 302.374 0.839 10 0 DCAERN C[C@@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)N1C(=O)CCC1=O ZINC000527026542 417203587 /nfs/dbraw/zinc/20/35/87/417203587.db2.gz RHAOAECYHZYTJC-MEDUHNTESA-N 0 0 324.377 0.320 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000527213628 417222488 /nfs/dbraw/zinc/22/24/88/417222488.db2.gz KZHUSOYXSQSWBP-QJPTWQEYSA-N 0 0 322.427 0.519 10 0 DCAERN O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408485219 417164818 /nfs/dbraw/zinc/16/48/18/417164818.db2.gz PUWFCQWIGHQYLI-RYUDHWBXSA-N 0 0 302.396 0.096 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)N1CCNCC1=O ZINC000638022084 417286137 /nfs/dbraw/zinc/28/61/37/417286137.db2.gz QJUHZOHJOSPJIU-ZIAGYGMSSA-N 0 0 319.405 0.528 10 0 DCAERN CCOC(=O)[C@H]1CN(c2nc(COC)ns2)CC12COC2 ZINC000450573013 417238652 /nfs/dbraw/zinc/23/86/52/417238652.db2.gz VSONULBKHHWVNN-SECBINFHSA-N 0 0 313.379 0.700 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncnc(N)c2Cl)CC12COC2 ZINC000450558925 417241181 /nfs/dbraw/zinc/24/11/81/417241181.db2.gz CWGLZCYCKVLYIS-MRVPVSSYSA-N 0 0 312.757 0.728 10 0 DCAERN COCCCN(CCO)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000438518710 287372657 /nfs/dbraw/zinc/37/26/57/287372657.db2.gz PPWCXLQWNPZVJI-UHFFFAOYSA-N 0 0 311.382 0.678 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)N[C@H](C)C(C)C)CC12COC2 ZINC000451125056 417303852 /nfs/dbraw/zinc/30/38/52/417303852.db2.gz KDFBPHNNHKVMDR-CHWSQXEVSA-N 0 0 312.410 0.659 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(CC)nc(C)n1 ZINC000569878538 417304441 /nfs/dbraw/zinc/30/44/41/417304441.db2.gz XFAJSWMLOOCWSA-UWVGGRQHSA-N 0 0 308.382 1.216 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)NC2CCCC2)CC12COC2 ZINC000451138100 417304463 /nfs/dbraw/zinc/30/44/63/417304463.db2.gz PWDDBPQGXBVRPP-CYBMUJFWSA-N 0 0 310.394 0.557 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000529276092 417432153 /nfs/dbraw/zinc/43/21/53/417432153.db2.gz PMLSUZYDUKGRID-FZMZJTMJSA-N 0 0 313.361 0.723 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H]2COc3ccc(F)cc3C2)nn1 ZINC000451820305 417403664 /nfs/dbraw/zinc/40/36/64/417403664.db2.gz ABRSMJZSPJYYEK-GFCCVEGCSA-N 0 0 318.308 0.740 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000633360571 417416476 /nfs/dbraw/zinc/41/64/76/417416476.db2.gz UWCQMDUXFUOLFF-AGIUHOORSA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(-n3cc[nH]c3=O)c2)C1 ZINC000622259422 417421229 /nfs/dbraw/zinc/42/12/29/417421229.db2.gz LVWLUQRVGYVGLJ-CYBMUJFWSA-N 0 0 314.345 0.929 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000633434574 417428117 /nfs/dbraw/zinc/42/81/17/417428117.db2.gz NTZAEJKRZAMAMO-ZFWWWQNUSA-N 0 0 317.345 0.861 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(O)cc2O)CC12COC2 ZINC000452614777 417492959 /nfs/dbraw/zinc/49/29/59/417492959.db2.gz QITJDZHRFHWSQM-GFCCVEGCSA-N 0 0 321.329 0.750 10 0 DCAERN CN(C)C(=O)C1(NC(=O)c2cnc(-c3cnn(C)c3)s2)CC1 ZINC000622703189 417492877 /nfs/dbraw/zinc/49/28/77/417492877.db2.gz SWDNKISMXQFDPC-UHFFFAOYSA-N 0 0 319.390 0.894 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cn(C)nc2C)CC12COC2 ZINC000452218234 417459315 /nfs/dbraw/zinc/45/93/15/417459315.db2.gz FPZFOZCQJVOEHJ-ZDUSSCGKSA-N 0 0 321.377 0.309 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CC12COC2 ZINC000452224526 417459655 /nfs/dbraw/zinc/45/96/55/417459655.db2.gz PIMSUMQXZBRLFR-NEPJUHHUSA-N 0 0 324.377 0.083 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c(C)ccn2C)CC12COC2 ZINC000452265278 417464063 /nfs/dbraw/zinc/46/40/63/417464063.db2.gz QCHDKPLDSKKYFX-LBPRGKRZSA-N 0 0 306.362 0.985 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]1C1CC1 ZINC000627589704 417465892 /nfs/dbraw/zinc/46/58/92/417465892.db2.gz XXPVRMLQSDOGEY-LBPRGKRZSA-N 0 0 309.410 0.807 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000633625795 417466545 /nfs/dbraw/zinc/46/65/45/417466545.db2.gz ITPJSBVKHPQMBF-ADEWGFFLSA-N 0 0 302.396 0.079 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000633625801 417467108 /nfs/dbraw/zinc/46/71/08/417467108.db2.gz ITPJSBVKHPQMBF-YUSALJHKSA-N 0 0 302.396 0.079 10 0 DCAERN C[C@@H](CCc1cccn1C)NC(=O)c1nc(N)nc(N(C)C)n1 ZINC000573943707 417479372 /nfs/dbraw/zinc/47/93/72/417479372.db2.gz MAJAKTVOOSTHER-JTQLQIEISA-N 0 0 317.397 0.609 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1cn2c(n1)CCCC2 ZINC000644345513 417542553 /nfs/dbraw/zinc/54/25/53/417542553.db2.gz UXJBYSWJBUKBJC-CYBMUJFWSA-N 0 0 320.393 0.209 10 0 DCAERN C[C@H]1OCCN(CC(=O)N(C2CC2)C2CCCC2)[C@@H]1C(N)=O ZINC000575821654 417551923 /nfs/dbraw/zinc/55/19/23/417551923.db2.gz LYHFMSCRIGHOQJ-ABAIWWIYSA-N 0 0 309.410 0.495 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000529770855 417503107 /nfs/dbraw/zinc/50/31/07/417503107.db2.gz PKIAFZLMWYEBMI-CABCVRRESA-N 0 0 306.362 0.939 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1nc2ccccc2[nH]1 ZINC000644285371 417524308 /nfs/dbraw/zinc/52/43/08/417524308.db2.gz OYWIWAPFFBQOEK-LBPRGKRZSA-N 0 0 302.334 0.875 10 0 DCAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCN(CCn2cncn2)CC1 ZINC000531152815 417610001 /nfs/dbraw/zinc/61/00/01/417610001.db2.gz SWOSXDOIIQFLOH-FICVDOATSA-N 0 0 303.410 0.859 10 0 DCAERN CC(=O)Nc1cc(C(=O)NC2(c3nnn[n-]3)CC2)ccc1C ZINC000530347907 417570079 /nfs/dbraw/zinc/57/00/79/417570079.db2.gz JESAINUTFNQJJT-UHFFFAOYSA-N 0 0 300.322 0.886 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccnc(C)c2)C1 ZINC000454687193 417575535 /nfs/dbraw/zinc/57/55/35/417575535.db2.gz UVBUZLWHFHIBFV-ZDUSSCGKSA-N 0 0 305.382 0.993 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)CC(C)(C)O ZINC000440386910 287399813 /nfs/dbraw/zinc/39/98/13/287399813.db2.gz GBIWVMQWFJETHN-UHFFFAOYSA-N 0 0 321.377 0.837 10 0 DCAERN CC(=O)C1(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000628724912 417683258 /nfs/dbraw/zinc/68/32/58/417683258.db2.gz SGWCFFHGDPNPAV-NSHDSACASA-N 0 0 314.349 0.188 10 0 DCAERN CC(=O)C1(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000628724911 417683880 /nfs/dbraw/zinc/68/38/80/417683880.db2.gz SGWCFFHGDPNPAV-LLVKDONJSA-N 0 0 314.349 0.188 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628782091 417693050 /nfs/dbraw/zinc/69/30/50/417693050.db2.gz HQJKJEMNDAZLPX-KKUMJFAQSA-N 0 0 315.373 0.340 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)N[C@]3(CO)CCOC3)cc21 ZINC000576922648 417647041 /nfs/dbraw/zinc/64/70/41/417647041.db2.gz BFSWXRYDDAJYEB-INIZCTEOSA-N 0 0 317.345 0.811 10 0 DCAERN CN(C)C(=O)Cn1ccc(NC(=O)N2CCCC23CCC3)n1 ZINC000576932086 417647617 /nfs/dbraw/zinc/64/76/17/417647617.db2.gz AQQNDLYVRQEEQG-UHFFFAOYSA-N 0 0 305.382 1.522 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOC[C@H]2CCCO2)[C@@H](C)C1 ZINC000531921301 417649978 /nfs/dbraw/zinc/64/99/78/417649978.db2.gz VCFWHTMBQMKOMV-GXTWGEPZSA-N 0 0 313.398 0.444 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC[C@H]2CCCO2)[C@@H](C)C1 ZINC000532168453 417664378 /nfs/dbraw/zinc/66/43/78/417664378.db2.gz RZMDAAYOVZQQOL-AEGPPILISA-N 0 0 300.399 0.096 10 0 DCAERN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000532381140 417676440 /nfs/dbraw/zinc/67/64/40/417676440.db2.gz CUHVHXSZUYTDFA-NSHDSACASA-N 0 0 309.370 0.644 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629215074 417759914 /nfs/dbraw/zinc/75/99/14/417759914.db2.gz RWEJURUWAXBZFM-GUTXKFCHSA-N 0 0 315.373 0.687 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cncc(Br)c1 ZINC000629218974 417760561 /nfs/dbraw/zinc/76/05/61/417760561.db2.gz YCGKPIWZLPOCDA-ZJUUUORDSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ncccc1Br ZINC000629246133 417767279 /nfs/dbraw/zinc/76/72/79/417767279.db2.gz WXVXMCXVYJZWIG-IUCAKERBSA-N 0 0 301.140 0.724 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@@H]21 ZINC000580474182 417706422 /nfs/dbraw/zinc/70/64/22/417706422.db2.gz SCIDISFZIKSNOG-LSDHHAIUSA-N 0 0 311.426 0.918 10 0 DCAERN O=C(N[C@@H]1COCCC1=O)c1nscc1Br ZINC000628877005 417709842 /nfs/dbraw/zinc/70/98/42/417709842.db2.gz LPWUGZPJMYCCJZ-ZCFIWIBFSA-N 0 0 305.153 0.993 10 0 DCAERN C[C@@H](Sc1ccccc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458118459 417722842 /nfs/dbraw/zinc/72/28/42/417722842.db2.gz BNBQMJHGXVZTCZ-VXGBXAGGSA-N 0 0 306.391 0.936 10 0 DCAERN COc1cc(Cl)cc(C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458151801 417724782 /nfs/dbraw/zinc/72/47/82/417724782.db2.gz XADMTVFADLFMTP-NSHDSACASA-N 0 0 310.741 0.731 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C1(c2ccccc2)CCC1 ZINC000458143415 417724825 /nfs/dbraw/zinc/72/48/25/417724825.db2.gz PHQPUHUWPNTAKC-AWEZNQCLSA-N 0 0 300.362 0.877 10 0 DCAERN CCc1ccccc1OCCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148684 417725021 /nfs/dbraw/zinc/72/50/21/417725021.db2.gz TYYBULDFIMYKKY-CQSZACIVSA-N 0 0 318.377 0.787 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)C1 ZINC000581760615 417730865 /nfs/dbraw/zinc/73/08/65/417730865.db2.gz RIVRNLVBYRGSHZ-DGCLKSJQSA-N 0 0 306.366 1.458 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)c1ccc2c(n1)OCCO2 ZINC000653797725 418110060 /nfs/dbraw/zinc/11/00/60/418110060.db2.gz SNXVOPBQFYSSLY-LLVKDONJSA-N 0 0 305.334 0.640 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)nn1 ZINC000450424430 287449613 /nfs/dbraw/zinc/44/96/13/287449613.db2.gz KSGINAUUQCUZIM-WCQYABFASA-N 0 0 308.382 0.736 10 0 DCAERN COc1ccnc(CNC(=O)N2C[C@H](OC)C[C@H]2CO)c1F ZINC000661849032 418365120 /nfs/dbraw/zinc/36/51/20/418365120.db2.gz QVYHKRCOYANABF-VHSXEESVSA-N 0 0 313.329 0.521 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 ZINC000661932457 418368932 /nfs/dbraw/zinc/36/89/32/418368932.db2.gz WWAKGSAUAIAHTH-MWLCHTKSSA-N 0 0 318.399 0.079 10 0 DCAERN O=C1NCC[C@H]1NS(=O)(=O)CCCOCc1ccccc1 ZINC000657031245 418406328 /nfs/dbraw/zinc/40/63/28/418406328.db2.gz HQUQQQDSVODARS-CYBMUJFWSA-N 0 0 312.391 0.401 10 0 DCAERN NC(=O)COc1cccc2c1CCCN2S(=O)(=O)C1CC1 ZINC000451099993 287455660 /nfs/dbraw/zinc/45/56/60/287455660.db2.gz OQUNHIWVTPTTGO-UHFFFAOYSA-N 0 0 310.375 0.796 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2nccn2CC)CC12COC2 ZINC000452614008 287482743 /nfs/dbraw/zinc/48/27/43/287482743.db2.gz ORVHNONWIAZUFU-NSHDSACASA-N 0 0 307.350 0.555 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)[C@@](C)(O)Cn2ccccc2=O)C12CCC2 ZINC000458205272 287499844 /nfs/dbraw/zinc/49/98/44/287499844.db2.gz XEHUWLAZDQWKJW-IOASZLSFSA-N 0 0 320.389 0.673 10 0 DCAERN COc1nc(N[C@@H](C)[C@@H](C)OC)nc(N[C@@H](C)[C@H](C)OC)n1 ZINC000467008239 287515228 /nfs/dbraw/zinc/51/52/28/287515228.db2.gz WXODZHUBZKRQGG-XWLWVQCSSA-N 0 0 313.402 0.395 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCCn2nnnc21 ZINC000329198071 287533551 /nfs/dbraw/zinc/53/35/51/287533551.db2.gz VNESEVGRCJIYQO-VHSXEESVSA-N 0 0 324.410 0.357 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)[C@H]1CO ZINC000408243339 299844733 /nfs/dbraw/zinc/84/47/33/299844733.db2.gz GJGDBKKNTXLWLQ-KBPBESRZSA-N 0 0 320.455 0.131 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C)ccn1 ZINC000488548979 287553568 /nfs/dbraw/zinc/55/35/68/287553568.db2.gz VZOZQCLKYJGOEZ-QWRGUYRKSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1CO ZINC000408121774 299846993 /nfs/dbraw/zinc/84/69/93/299846993.db2.gz FWPUGKNPQCUXOC-NWDGAFQWSA-N 0 0 306.428 0.435 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)[C@@H]1CO ZINC000408383157 299848734 /nfs/dbraw/zinc/84/87/34/299848734.db2.gz GVEHWWWYJNKGJU-WCBMZHEXSA-N 0 0 307.803 0.855 10 0 DCAERN Cc1ncc(NC(=O)C(=O)NC[C@@H](CO)c2ccccc2)cn1 ZINC000494271183 287579138 /nfs/dbraw/zinc/57/91/38/287579138.db2.gz NYPZCMXBCANDJW-ZDUSSCGKSA-N 0 0 314.345 0.616 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1ccc(F)cc1F ZINC000299746410 229389947 /nfs/dbraw/zinc/38/99/47/229389947.db2.gz XEFWDUDHQALNLA-SCZZXKLOSA-N 0 0 302.252 0.768 10 0 DCAERN C[C@H](NC(=O)CN1CCC([C@H](O)C(N)=O)CC1)c1ccccc1 ZINC000299749932 229394246 /nfs/dbraw/zinc/39/42/46/229394246.db2.gz MDCHZIFXMLJZST-LRDDRELGSA-N 0 0 319.405 0.422 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)CCN1CC(F)F ZINC000179668506 261114121 /nfs/dbraw/zinc/11/41/21/261114121.db2.gz FJTCWQWRZMVFJC-GHMZBOCLSA-N 0 0 318.368 0.588 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC(F)(F)CO ZINC000183940083 261117777 /nfs/dbraw/zinc/11/77/77/261117777.db2.gz WXQKTZBFJBEQRF-UHFFFAOYSA-N 0 0 300.265 0.334 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCOCC2)CC[S@@]1=O ZINC000185270334 261119139 /nfs/dbraw/zinc/11/91/39/261119139.db2.gz WUXOEFAYQNNXBI-FQEVSTJZSA-N 0 0 302.440 0.468 10 0 DCAERN C[C@H](C(=O)Nc1c(F)cccc1F)N1C[C@H](O)C[C@@H]1CO ZINC000184720624 261119868 /nfs/dbraw/zinc/11/98/68/261119868.db2.gz QVUVTYBVCYCGON-OPRDCNLKSA-N 0 0 300.305 0.719 10 0 DCAERN CCC1(CC)CN(C(=O)C(=O)Nc2ccon2)CC[S@@]1=O ZINC000185560811 261120344 /nfs/dbraw/zinc/12/03/44/261120344.db2.gz NVZONSVZGIAVJA-NRFANRHFSA-N 0 0 313.379 0.763 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187928387 261125163 /nfs/dbraw/zinc/12/51/63/261125163.db2.gz NYTAQSXAYSVDAZ-UHFFFAOYSA-N 0 0 322.386 0.788 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 ZINC000188393615 261126990 /nfs/dbraw/zinc/12/69/90/261126990.db2.gz LLWGXDCFRGZQEB-WFASDCNBSA-N 0 0 317.389 0.943 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2c1 ZINC000189464142 261131262 /nfs/dbraw/zinc/13/12/62/261131262.db2.gz OSVIPKCIDLFEBZ-BXUZGUMPSA-N 0 0 317.345 0.939 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCCN(CC)C(=O)C1 ZINC000189611504 261132974 /nfs/dbraw/zinc/13/29/74/261132974.db2.gz CANITTIYRJVLLQ-UHFFFAOYSA-N 0 0 321.381 0.312 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000190145253 261133992 /nfs/dbraw/zinc/13/39/92/261133992.db2.gz JJUAUMVRUNEISE-RISCZKNCSA-N 0 0 324.425 0.761 10 0 DCAERN COCCN1CCCN(C(=O)c2ncc(F)cc2F)CC1=O ZINC000190813968 261135910 /nfs/dbraw/zinc/13/59/10/261135910.db2.gz KUQLWAIRZKPCGK-UHFFFAOYSA-N 0 0 313.304 0.681 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)c1snnc1C(C)(C)C ZINC000191419760 261137644 /nfs/dbraw/zinc/13/76/44/261137644.db2.gz UGMFEXBWRYIUSR-SSDOTTSWSA-N 0 0 305.425 0.999 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000192470427 261138057 /nfs/dbraw/zinc/13/80/57/261138057.db2.gz REJQOYMJZVYYGS-RYUDHWBXSA-N 0 0 304.412 0.153 10 0 DCAERN CN(C)C(=O)CCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000192873866 261139349 /nfs/dbraw/zinc/13/93/49/261139349.db2.gz GLTZJZXVJHBPGQ-UHFFFAOYSA-N 0 0 306.362 0.985 10 0 DCAERN C[C@@H](NC(=O)NCCS(N)(=O)=O)c1ccc(F)c(F)c1 ZINC000192860031 261139986 /nfs/dbraw/zinc/13/99/86/261139986.db2.gz LCVREZCTZVEXPN-SSDOTTSWSA-N 0 0 307.322 0.614 10 0 DCAERN CC(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000193187584 261141018 /nfs/dbraw/zinc/14/10/18/261141018.db2.gz WPTQEYSRTSOEOA-HNNXBMFYSA-N 0 0 317.389 0.934 10 0 DCAERN COCCO[C@@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000193554660 261141887 /nfs/dbraw/zinc/14/18/87/261141887.db2.gz GJGQEEHBRKPDIZ-SNVBAGLBSA-N 0 0 306.370 0.577 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000194199155 261145067 /nfs/dbraw/zinc/14/50/67/261145067.db2.gz BWPYRADEULTJFQ-SKDRFNHKSA-N 0 0 308.382 0.941 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000195199899 261150585 /nfs/dbraw/zinc/15/05/85/261150585.db2.gz LQMKTNWROROGGK-LBPRGKRZSA-N 0 0 312.391 0.975 10 0 DCAERN CCCCOCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000195236894 261151506 /nfs/dbraw/zinc/15/15/06/261151506.db2.gz FAPRLIVBQNZTNY-UHFFFAOYSA-N 0 0 300.380 0.881 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3sccc3c2=O)C[C@H]1O ZINC000221885948 261151896 /nfs/dbraw/zinc/15/18/96/261151896.db2.gz WQZZLTALJGGPPQ-MWLCHTKSSA-N 0 0 307.375 0.687 10 0 DCAERN Cc1nc(C[C@@H]2CCC[N@H+](CCN3C(=O)CNC3=O)C2)no1 ZINC000195518187 261152182 /nfs/dbraw/zinc/15/21/82/261152182.db2.gz VTEKNFOWMDMRMI-NSHDSACASA-N 0 0 307.354 0.184 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1O ZINC000221817704 261152661 /nfs/dbraw/zinc/15/26/61/261152661.db2.gz LCDQTZIXDUIPEQ-ZJUUUORDSA-N 0 0 316.379 0.373 10 0 DCAERN CS[C@H](CO)[C@@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000230193397 261153857 /nfs/dbraw/zinc/15/38/57/261153857.db2.gz BBKHHDINKUJRNR-LMLFDSFASA-N 0 0 312.457 0.042 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NCCOC(C)(C)C ZINC000308568802 261173628 /nfs/dbraw/zinc/17/36/28/261173628.db2.gz CLSSUUQZPRVCPF-UHFFFAOYSA-N 0 0 303.384 0.217 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1 ZINC000316301679 261175496 /nfs/dbraw/zinc/17/54/96/261175496.db2.gz JVEBTIPPWYPHHK-GFCCVEGCSA-N 0 0 311.382 0.402 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCN2CCC(O)CC2)C1 ZINC000321408136 261178315 /nfs/dbraw/zinc/17/83/15/261178315.db2.gz GSDVOKVNPCPFJL-GFCCVEGCSA-N 0 0 305.444 0.009 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)cc1 ZINC000354304067 261202414 /nfs/dbraw/zinc/20/24/14/261202414.db2.gz VLOSYZTUUFWPMR-CABCVRRESA-N 0 0 319.361 0.243 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC(OCC(C)C)CC1 ZINC000354831590 261276706 /nfs/dbraw/zinc/27/67/06/261276706.db2.gz HADYGSCFHVXRPG-DZGCQCFKSA-N 0 0 312.410 0.632 10 0 DCAERN CC(=O)N(CCC(=O)NC[C@](C)(O)CO)Cc1ccccc1 ZINC000355340148 261333424 /nfs/dbraw/zinc/33/34/24/261333424.db2.gz NWZFPPCEAFTIKJ-INIZCTEOSA-N 0 0 308.378 0.285 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000357829818 261590045 /nfs/dbraw/zinc/59/00/45/261590045.db2.gz PLZRESQOXIUNOI-NSHDSACASA-N 0 0 308.386 0.962 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)C2CC2)c1 ZINC000358352946 261660040 /nfs/dbraw/zinc/66/00/40/261660040.db2.gz NNRGDRWLNLLPGO-GFCCVEGCSA-N 0 0 312.391 0.343 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)C(=O)N(C)C ZINC000360301261 261820628 /nfs/dbraw/zinc/82/06/28/261820628.db2.gz RPLUJVGXCMAONL-KWQFWETISA-N 0 0 311.304 0.562 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000360333556 261824009 /nfs/dbraw/zinc/82/40/09/261824009.db2.gz IVGANOKXTHDQKF-NSHDSACASA-N 0 0 323.422 0.609 10 0 DCAERN COC(=O)CNC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361989168 261987400 /nfs/dbraw/zinc/98/74/00/261987400.db2.gz XBYAPSUCHDVSGX-CQSZACIVSA-N 0 0 322.361 0.055 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)s1 ZINC000362260953 262016130 /nfs/dbraw/zinc/01/61/30/262016130.db2.gz JSKPEBMQFYVMDB-AWEZNQCLSA-N 0 0 324.406 0.676 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2cccc(=O)n2C)no1 ZINC000362314564 262021682 /nfs/dbraw/zinc/02/16/82/262021682.db2.gz OCOMMHIMMYZDSP-UHFFFAOYSA-N 0 0 319.317 0.825 10 0 DCAERN COc1cc(NC(=O)C(=O)Nc2cn(C)nc2C(C)C)ncn1 ZINC000362316869 262021897 /nfs/dbraw/zinc/02/18/97/262021897.db2.gz BQZBOCQZHCIUKV-UHFFFAOYSA-N 0 0 318.337 0.919 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1 ZINC000362515195 262043165 /nfs/dbraw/zinc/04/31/65/262043165.db2.gz DYHJKHKKIPZYJL-NSHDSACASA-N 0 0 303.362 0.972 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2cccn2C)c1 ZINC000362534974 262044354 /nfs/dbraw/zinc/04/43/54/262044354.db2.gz OURQNFFEBILBFV-UHFFFAOYSA-N 0 0 307.375 0.863 10 0 DCAERN COc1ccc(C)cc1NC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000363801047 262131421 /nfs/dbraw/zinc/13/14/21/262131421.db2.gz RURZYRJCSIWZQP-AWEZNQCLSA-N 0 0 319.405 0.959 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000363855806 262135045 /nfs/dbraw/zinc/13/50/45/262135045.db2.gz BCQONCDXEXDYLH-CYBMUJFWSA-N 0 0 305.378 0.991 10 0 DCAERN COc1cc(C)cc(C(=O)N2CCN3CCOC[C@@H]3C2)c1O ZINC000363868511 262135076 /nfs/dbraw/zinc/13/50/76/262135076.db2.gz NPORVMLBMUVRCT-LBPRGKRZSA-N 0 0 306.362 0.866 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCN([C@@H]2CCOC2)CC1 ZINC000363917633 262136772 /nfs/dbraw/zinc/13/67/72/262136772.db2.gz FNZFXOUYLDRATR-OAHLLOKOSA-N 0 0 314.389 0.969 10 0 DCAERN O=C(NCc1ccc(O)c(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363965192 262137855 /nfs/dbraw/zinc/13/78/55/262137855.db2.gz DZDHKACIJSKTPV-LBPRGKRZSA-N 0 0 309.341 0.757 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCN2CCOC[C@H]2C1 ZINC000364005090 262139440 /nfs/dbraw/zinc/13/94/40/262139440.db2.gz XHHZHTSGOYDDKZ-CQSZACIVSA-N 0 0 321.352 0.099 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392902783 262160897 /nfs/dbraw/zinc/16/08/97/262160897.db2.gz UHYYTCQXWZFBAR-KXNHARMFSA-N 0 0 303.428 0.466 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000396418883 262163290 /nfs/dbraw/zinc/16/32/90/262163290.db2.gz YFYUDIBIRPAVQP-DZGCQCFKSA-N 0 0 301.390 0.855 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412103209 262182441 /nfs/dbraw/zinc/18/24/41/262182441.db2.gz YNZPENXUBJWFGW-DOMZBBRYSA-N 0 0 306.362 0.909 10 0 DCAERN O=C(NCCCN1CCCCC1=O)NC[C@H](O)C(F)(F)F ZINC000358746059 271066752 /nfs/dbraw/zinc/06/67/52/271066752.db2.gz PLAKLRNIFIYXCK-VIFPVBQESA-N 0 0 311.304 0.611 10 0 DCAERN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000358770390 271069760 /nfs/dbraw/zinc/06/97/60/271069760.db2.gz IXBCIVRIHFMYBC-SRVKXCTJSA-N 0 0 300.399 0.536 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)n1 ZINC000359223477 271106835 /nfs/dbraw/zinc/10/68/35/271106835.db2.gz DJSGLBKAWMAXJE-STQMWFEESA-N 0 0 321.377 0.433 10 0 DCAERN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cccc2ncnn21 ZINC000361294250 271180983 /nfs/dbraw/zinc/18/09/83/271180983.db2.gz DJWFGCAUILBOOD-SSDOTTSWSA-N 0 0 316.239 0.953 10 0 DCAERN O=C1[C@H](N2C(=O)[C@H]3CCCCN3C2=O)CCN1C1CCOCC1 ZINC000363472786 271194162 /nfs/dbraw/zinc/19/41/62/271194162.db2.gz UOCZIFLAWWAUGV-CHWSQXEVSA-N 0 0 321.377 0.583 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000363900012 271206963 /nfs/dbraw/zinc/20/69/63/271206963.db2.gz KDHZENLDUYKMII-LSSIXWDNSA-N 0 0 323.393 0.590 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CCC(=O)N[C@@H]2C)no1 ZINC000442706249 271679286 /nfs/dbraw/zinc/67/92/86/271679286.db2.gz CVEATITUKIOCAS-BDAKNGLRSA-N 0 0 309.370 0.833 10 0 DCAERN Cn1cc([C@@H](NC(=O)NCCOCCO)C(F)(F)F)cn1 ZINC000446467766 271760773 /nfs/dbraw/zinc/76/07/73/271760773.db2.gz YHTGFQJAEPANSV-SECBINFHSA-N 0 0 310.276 0.332 10 0 DCAERN COC1(CNC(=O)[C@](C)(O)Cn2ccccc2=O)CCCC1 ZINC000452171250 271910520 /nfs/dbraw/zinc/91/05/20/271910520.db2.gz PDBFMSDXXAYMCU-OAHLLOKOSA-N 0 0 308.378 0.675 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)CC12COC2 ZINC000452228361 271911646 /nfs/dbraw/zinc/91/16/46/271911646.db2.gz NKGFNCUUAMGFOU-STQMWFEESA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@](C)(OC)C2CC2)CC12COC2 ZINC000452226152 271911736 /nfs/dbraw/zinc/91/17/36/271911736.db2.gz RHGFAZVGKUDASK-IUODEOHRSA-N 0 0 311.378 0.840 10 0 DCAERN Cc1ccc(OCCC(=O)NC[C@H](O)Cn2ccnn2)cc1C ZINC000458125468 271942596 /nfs/dbraw/zinc/94/25/96/271942596.db2.gz BIXAGXABFQHTDK-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN Cc1ccc2c(c1)CC[C@H](C(=O)NC[C@H](O)Cn1ccnn1)O2 ZINC000458127052 271943412 /nfs/dbraw/zinc/94/34/12/271943412.db2.gz CTMGKMUMAYPCJE-DZGCQCFKSA-N 0 0 316.361 0.457 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](CC)C(C)(C)O)C1 ZINC000458552277 271962587 /nfs/dbraw/zinc/96/25/87/271962587.db2.gz VTRWAXDFXFHIAG-MNOVXSKESA-N 0 0 300.403 0.639 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000459891202 272017119 /nfs/dbraw/zinc/01/71/19/272017119.db2.gz ZVIXBQJDZFCALJ-HNNXBMFYSA-N 0 0 323.437 0.592 10 0 DCAERN CC(C)[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459951607 272021681 /nfs/dbraw/zinc/02/16/81/272021681.db2.gz LYOSKYSZDCIVEF-CXAGYDPISA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000460021674 272024776 /nfs/dbraw/zinc/02/47/76/272024776.db2.gz OMCWTZJMRFXZKR-SKDRFNHKSA-N 0 0 324.299 0.150 10 0 DCAERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000471924139 272032841 /nfs/dbraw/zinc/03/28/41/272032841.db2.gz LHLSVGFMIZVYKN-SFYZADRCSA-N 0 0 322.287 0.521 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1CCSCC1 ZINC000487109547 272038085 /nfs/dbraw/zinc/03/80/85/272038085.db2.gz HQAXBFJJWWEGCI-NXEZZACHSA-N 0 0 316.423 0.702 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCS1 ZINC000487119402 272038275 /nfs/dbraw/zinc/03/82/75/272038275.db2.gz NCLAJCPIFYITKL-LPEHRKFASA-N 0 0 302.396 0.455 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCCO1 ZINC000487168153 272038896 /nfs/dbraw/zinc/03/88/96/272038896.db2.gz VBRZRPGIUMEDDN-OUAUKWLOSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccco1 ZINC000487375034 272041063 /nfs/dbraw/zinc/04/10/63/272041063.db2.gz YOTHPPYNZCEXQP-IUCAKERBSA-N 0 0 318.351 0.014 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449051 272222427 /nfs/dbraw/zinc/22/24/27/272222427.db2.gz XQGDNCNOXPSQJG-STQMWFEESA-N 0 0 313.442 0.859 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCCC(F)(F)C2)O1 ZINC000495034315 272236529 /nfs/dbraw/zinc/23/65/29/272236529.db2.gz BFCOFSOFXXMBHC-UTLUCORTSA-N 0 0 305.325 0.896 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CC=CCC1 ZINC000495234439 272242100 /nfs/dbraw/zinc/24/21/00/272242100.db2.gz UIGBHMQJIFKWRE-SDDRHHMPSA-N 0 0 311.382 0.851 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC12CCCCC2 ZINC000497312693 272383055 /nfs/dbraw/zinc/38/30/55/272383055.db2.gz IWPWAOIOCKALAA-LBPRGKRZSA-N 0 0 309.366 0.488 10 0 DCAERN C[C@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000505761241 272393841 /nfs/dbraw/zinc/39/38/41/272393841.db2.gz FERFTINZXLAAQM-JTQLQIEISA-N 0 0 303.428 0.756 10 0 DCAERN Cc1nnc(-c2cccc(C(=O)N(C)Cc3nnnn3C)c2)o1 ZINC000531821099 272770667 /nfs/dbraw/zinc/77/06/67/272770667.db2.gz DSPGOUKTONEVKL-UHFFFAOYSA-N 0 0 313.321 0.841 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000532068359 272776825 /nfs/dbraw/zinc/77/68/25/272776825.db2.gz ZAKJTRZIXRVQRK-UHFFFAOYSA-N 0 0 321.312 0.417 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000520633882 287686399 /nfs/dbraw/zinc/68/63/99/287686399.db2.gz KMIFJAVPZXJTDK-UHFFFAOYSA-N 0 0 311.363 0.301 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)NCc1ncccc1O)CC2 ZINC000527453487 287693430 /nfs/dbraw/zinc/69/34/30/287693430.db2.gz FMTYYZBRQHMKMA-NSHDSACASA-N 0 0 316.365 0.749 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC23CCC3)CC1 ZINC000531200561 287771027 /nfs/dbraw/zinc/77/10/27/287771027.db2.gz HOAYMXWTIDNCQJ-UHFFFAOYSA-N 0 0 322.409 0.405 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cn3cccnc3n2)C(C)(C)C1 ZINC000537171998 287864029 /nfs/dbraw/zinc/86/40/29/287864029.db2.gz PNIFQRFCQZFYNA-UHFFFAOYSA-N 0 0 301.350 0.812 10 0 DCAERN CC1=C(C(=O)N[C@H]2CCC(=O)N(C)C2)[C@@H](C)n2ncnc2N1C ZINC000195273929 276175636 /nfs/dbraw/zinc/17/56/36/276175636.db2.gz WOAKWNDUVRNPKI-MNOVXSKESA-N 0 0 318.381 0.300 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000123355519 276369093 /nfs/dbraw/zinc/36/90/93/276369093.db2.gz OJCVGLDWDSIUQO-GFCCVEGCSA-N 0 0 317.455 0.689 10 0 DCAERN CN(C)c1n[nH]c(NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)n1 ZINC000375924913 276810224 /nfs/dbraw/zinc/81/02/24/276810224.db2.gz NUDZXHAUQXRILQ-NSHDSACASA-N 0 0 314.349 0.679 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)C1 ZINC000171086597 277057146 /nfs/dbraw/zinc/05/71/46/277057146.db2.gz UABLKBHGEPTSIF-QWHCGFSZSA-N 0 0 320.397 0.211 10 0 DCAERN CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543428056 287957585 /nfs/dbraw/zinc/95/75/85/287957585.db2.gz ZTRWWSXQOKDTGC-QWRGUYRKSA-N 0 0 322.390 0.815 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000377673416 278024382 /nfs/dbraw/zinc/02/43/82/278024382.db2.gz BPPFGCNWVODHMS-GJZGRUSLSA-N 0 0 315.373 0.609 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000408052377 278031819 /nfs/dbraw/zinc/03/18/19/278031819.db2.gz LHPUBWUEDCFFHS-USXIJHARSA-N 0 0 324.421 0.513 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000408051405 278032407 /nfs/dbraw/zinc/03/24/07/278032407.db2.gz OXNWKCSHFZDCJK-BRXULGCHSA-N 0 0 310.394 0.290 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCOC[C@H]2c2cccn2C)C1 ZINC000408055285 278050890 /nfs/dbraw/zinc/05/08/90/278050890.db2.gz SIBPZTCCSSLRFC-HIFRSBDPSA-N 0 0 305.378 0.793 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000331965870 278066489 /nfs/dbraw/zinc/06/64/89/278066489.db2.gz VTAFRDXNPCIGIB-RYUDHWBXSA-N 0 0 300.424 0.821 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccco1)N(C)C ZINC000122663443 278066723 /nfs/dbraw/zinc/06/67/23/278066723.db2.gz CAUKICVDXSMWII-NEPJUHHUSA-N 0 0 311.407 0.920 10 0 DCAERN O=C(N[C@H]1CCCC(F)(F)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546143668 288016320 /nfs/dbraw/zinc/01/63/20/288016320.db2.gz WJMOBELUDAZEDH-IUCAKERBSA-N 0 0 316.308 0.510 10 0 DCAERN CC(C)c1cc(N[C@@H]2CCCN(CCO)C2=O)n2ncnc2n1 ZINC000546732654 288028671 /nfs/dbraw/zinc/02/86/71/288028671.db2.gz PNRKZGYQEPIFQE-LLVKDONJSA-N 0 0 318.381 0.643 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)CCO1 ZINC000329429462 278338825 /nfs/dbraw/zinc/33/88/25/278338825.db2.gz HHOBJQWKFFPNIM-CYBMUJFWSA-N 0 0 317.455 0.512 10 0 DCAERN O=C(NCc1nnnn1CC1CC1)c1cccc2nccnc21 ZINC000547431297 288045372 /nfs/dbraw/zinc/04/53/72/288045372.db2.gz VDNAKHMRSJJOQA-UHFFFAOYSA-N 0 0 309.333 0.956 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCn4nc(C)nc4C3)C2=O)n(C)n1 ZINC000374054185 278714512 /nfs/dbraw/zinc/71/45/12/278714512.db2.gz MXVSOWVGEZRVDH-GFCCVEGCSA-N 0 0 315.381 0.250 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NC1Cc2ccccc2C1 ZINC000547738223 288074221 /nfs/dbraw/zinc/07/42/21/288074221.db2.gz MXLFEZRLXDVPSU-GOSISDBHSA-N 0 0 312.369 0.883 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000547756664 288075780 /nfs/dbraw/zinc/07/57/80/288075780.db2.gz QHOBINDZSWKXJU-UHFFFAOYSA-N 0 0 319.409 0.532 10 0 DCAERN O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CC(CO)C1 ZINC000547810873 288081945 /nfs/dbraw/zinc/08/19/45/288081945.db2.gz HMKHMCFAYHJOAL-UHFFFAOYSA-N 0 0 310.375 0.192 10 0 DCAERN Cc1ccn2cc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)nc2c1 ZINC000408065157 278979563 /nfs/dbraw/zinc/97/95/63/278979563.db2.gz ZODFCKKXJQLPHD-MFKMUULPSA-N 0 0 302.334 0.358 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247260131 279224903 /nfs/dbraw/zinc/22/49/03/279224903.db2.gz ZVBFMFCMDQRQDW-KFWWJZLASA-N 0 0 311.426 0.077 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000192024065 279319152 /nfs/dbraw/zinc/31/91/52/279319152.db2.gz UZOGQPILKBHBRW-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000548390357 288138955 /nfs/dbraw/zinc/13/89/55/288138955.db2.gz VBKDXBYHJWLOAK-CYBMUJFWSA-N 0 0 302.330 0.606 10 0 DCAERN NC(=O)C1(NS(=O)(=O)c2cnc3n2CCC3)CCCCC1 ZINC000548450959 288144442 /nfs/dbraw/zinc/14/44/42/288144442.db2.gz ORBHRRVYRYPELB-UHFFFAOYSA-N 0 0 312.395 0.296 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408246608 279586072 /nfs/dbraw/zinc/58/60/72/279586072.db2.gz NSSKKWHMWSTBBK-SNVBAGLBSA-N 0 0 319.427 0.118 10 0 DCAERN c1ccc(-c2n[nH]c(CCNc3nccn4nnnc34)n2)cc1 ZINC000548691535 288167792 /nfs/dbraw/zinc/16/77/92/288167792.db2.gz JCQZEPMOIQJMEY-UHFFFAOYSA-N 0 0 307.321 0.959 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1(C(=O)N(C)C)CC1 ZINC000548747980 288173261 /nfs/dbraw/zinc/17/32/61/288173261.db2.gz OWCSNYLMVJXDTF-JTQLQIEISA-N 0 0 305.382 0.660 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000179558869 280018103 /nfs/dbraw/zinc/01/81/03/280018103.db2.gz WGLKJLAMKDXMRD-CMPLNLGQSA-N 0 0 312.391 0.607 10 0 DCAERN C1CC(c2nnc(N3CCN4CCOC[C@H]4C3)s2)CCO1 ZINC000549553090 288199943 /nfs/dbraw/zinc/19/99/43/288199943.db2.gz RONQYNGPOZXNDH-GFCCVEGCSA-N 0 0 310.423 0.953 10 0 DCAERN CC(C)[C@H](C(=O)N1CCN(C)C[C@@H]1C)N1CCCS1(=O)=O ZINC000408078902 280150717 /nfs/dbraw/zinc/15/07/17/280150717.db2.gz FXCQUVTTZIHXRT-QWHCGFSZSA-N 0 0 317.455 0.209 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000015205781 280306756 /nfs/dbraw/zinc/30/67/56/280306756.db2.gz CQKHENXHLAUMBH-VLSJOBMHSA-N 0 0 322.313 0.308 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333214630 280363312 /nfs/dbraw/zinc/36/33/12/280363312.db2.gz VGABJBSXXUEFLD-XQHKEYJVSA-N 0 0 300.424 0.961 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@](C)=O)CCC2)[C@@H](C)CO1 ZINC000408408995 288236037 /nfs/dbraw/zinc/23/60/37/288236037.db2.gz ZBACBFSPMKNHHP-QQKBFRNYSA-N 0 0 324.468 0.231 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885384 288240552 /nfs/dbraw/zinc/24/05/52/288240552.db2.gz SIDILOFRRMFPAD-OLZOCXBDSA-N 0 0 320.393 0.984 10 0 DCAERN Cn1cnc(CNC(=O)NCC[C@@H]2COc3ccccc3O2)n1 ZINC000552061133 288262960 /nfs/dbraw/zinc/26/29/60/288262960.db2.gz KKWOULLBWUJBMU-LLVKDONJSA-N 0 0 317.349 0.844 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCCO1 ZINC000552742380 288279921 /nfs/dbraw/zinc/27/99/21/288279921.db2.gz PIDQEDBPCZMUEP-NSHDSACASA-N 0 0 302.334 0.910 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000329659516 288290308 /nfs/dbraw/zinc/29/03/08/288290308.db2.gz OCHBWIMLLMEKLW-HZSPNIEDSA-N 0 0 314.451 0.896 10 0 DCAERN CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553101043 288287049 /nfs/dbraw/zinc/28/70/49/288287049.db2.gz MNKJLBXZUIROML-GFCCVEGCSA-N 0 0 304.350 0.796 10 0 DCAERN Cc1cc(CCNC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)on1 ZINC000553984693 288311550 /nfs/dbraw/zinc/31/15/50/288311550.db2.gz KGKBYLOUMVJVKG-OAHLLOKOSA-N 0 0 306.366 0.837 10 0 DCAERN Cc1cccc2c1ncnc2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000151935746 281310861 /nfs/dbraw/zinc/31/08/61/281310861.db2.gz FGAGROKRPUXSHB-LLVKDONJSA-N 0 0 311.345 0.085 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)OCC(=O)N3C)cn1 ZINC000554529658 288326560 /nfs/dbraw/zinc/32/65/60/288326560.db2.gz PKSQZQMJUGYWMB-UHFFFAOYSA-N 0 0 316.317 0.793 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000555918721 288365893 /nfs/dbraw/zinc/36/58/93/288365893.db2.gz AYLRFQINRMLCCB-NSHDSACASA-N 0 0 317.349 0.698 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cnn(C)c1)CC2 ZINC000558631028 288451043 /nfs/dbraw/zinc/45/10/43/288451043.db2.gz JQCQYGKSHXSAGH-SNVBAGLBSA-N 0 0 304.354 0.084 10 0 DCAERN CN(Cc1cnccn1)C(=O)NCCNC(=O)c1cccnc1 ZINC000564184891 288728931 /nfs/dbraw/zinc/72/89/31/288728931.db2.gz NTJPBTPTTSFRCR-UHFFFAOYSA-N 0 0 314.349 0.443 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](Nc3cncc(C(N)=O)n3)[C@H]2C1 ZINC000565267978 288839972 /nfs/dbraw/zinc/83/99/72/288839972.db2.gz ZSQHNDALHZBHEW-SRVKXCTJSA-N 0 0 303.366 0.634 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@H]1CO ZINC000565401153 288849303 /nfs/dbraw/zinc/84/93/03/288849303.db2.gz JIFOZPIXBHUMDA-PWSUYJOCSA-N 0 0 302.334 0.502 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000565627030 288867531 /nfs/dbraw/zinc/86/75/31/288867531.db2.gz ORWQPCAYUAOXQJ-XJFOESAGSA-N 0 0 321.439 0.050 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000274127355 288910995 /nfs/dbraw/zinc/91/09/95/288910995.db2.gz VTTBAERWWRFFAC-WCQGTBRESA-N 0 0 310.375 0.992 10 0 DCAERN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)N1CCOCC1 ZINC000041600535 289635437 /nfs/dbraw/zinc/63/54/37/289635437.db2.gz SZADSHWIEOKAQY-LLVKDONJSA-N 0 0 309.341 0.601 10 0 DCAERN CN(C[C@H](O)CO)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000271304098 289733455 /nfs/dbraw/zinc/73/34/55/289733455.db2.gz SZNRDGZYUQIBEA-YNEHKIRRSA-N 0 0 307.346 0.373 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000089485267 289836699 /nfs/dbraw/zinc/83/66/99/289836699.db2.gz ZHEREPINTSJCFL-ZFWWWQNUSA-N 0 0 321.352 0.709 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000157323540 290138188 /nfs/dbraw/zinc/13/81/88/290138188.db2.gz NSVAYESPCAGXCP-MELADBBJSA-N 0 0 320.455 0.130 10 0 DCAERN CO[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)C1CC1 ZINC000333556767 293533125 /nfs/dbraw/zinc/53/31/25/293533125.db2.gz VNYZEYVBGLAIJU-YUELXQCFSA-N 0 0 311.426 0.916 10 0 DCAERN CO[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000408344921 293726266 /nfs/dbraw/zinc/72/62/66/293726266.db2.gz CGJKTKJBQKERAE-BWBHSNQOSA-N 0 0 323.393 0.734 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOCC3(CC3)C2)C[C@H](C)O1 ZINC000329459602 297051906 /nfs/dbraw/zinc/05/19/06/297051906.db2.gz OXNSAXYKTVXBDF-TXEJJXNPSA-N 0 0 304.412 0.453 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)C[C@@H](C)O1 ZINC000246466551 297053994 /nfs/dbraw/zinc/05/39/94/297053994.db2.gz PSHQADVRRMIPGN-JHJVBQTASA-N 0 0 304.412 0.453 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2=O)cn1 ZINC000329522652 294249153 /nfs/dbraw/zinc/24/91/53/294249153.db2.gz RFQJVMCTNVZPEZ-YUTCNCBUSA-N 0 0 304.350 0.020 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000264900482 294556476 /nfs/dbraw/zinc/55/64/76/294556476.db2.gz NCULNELFTSQKET-ZYHUDNBSSA-N 0 0 315.381 0.703 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000091782831 295118919 /nfs/dbraw/zinc/11/89/19/295118919.db2.gz QOCSOIULABUWCF-UONOGXRCSA-N 0 0 304.346 0.403 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cc(F)c(F)cc1F ZINC000091784486 295158053 /nfs/dbraw/zinc/15/80/53/295158053.db2.gz NNDASCFRXFLIQR-LLVKDONJSA-N 0 0 302.252 0.359 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000091783523 295159113 /nfs/dbraw/zinc/15/91/13/295159113.db2.gz OQPOFXCEZJELKG-ZCFIWIBFSA-N 0 0 303.112 0.368 10 0 DCAERN O=C(C1CCOCC1)N1C[C@H]2OCC(=O)N(CC3CC3)[C@@H]2C1 ZINC000096246353 295451518 /nfs/dbraw/zinc/45/15/18/295451518.db2.gz TZKVNUPOUHFZDH-ZIAGYGMSSA-N 0 0 308.378 0.261 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)CCO1 ZINC000333462827 297458077 /nfs/dbraw/zinc/45/80/77/297458077.db2.gz LZXNIPKKNWTLME-FRRDWIJNSA-N 0 0 314.411 0.812 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191249535 297570481 /nfs/dbraw/zinc/57/04/81/297570481.db2.gz MWNAQHBPHNUSQI-CYZMBNFOSA-N 0 0 301.408 0.980 10 0 DCAERN C[C@H](C(=O)NC1CCC(C)CC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246397451 298142831 /nfs/dbraw/zinc/14/28/31/298142831.db2.gz IOHXFZHMJAFHJN-RQASJOBOSA-N 0 0 311.426 0.644 10 0 DCAERN Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)[nH]c2c1C(=O)CCC2 ZINC000285234674 300926818 /nfs/dbraw/zinc/92/68/18/300926818.db2.gz GBYOPQBTYZCNKS-OTYXRUKQSA-N 0 0 319.361 0.557 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000179688188 301315570 /nfs/dbraw/zinc/31/55/70/301315570.db2.gz FWBCYVYHSXZPBA-SNVBAGLBSA-N 0 0 302.327 0.009 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC000176905981 302744153 /nfs/dbraw/zinc/74/41/53/302744153.db2.gz PMKAOFUFTHRHGL-ZJUUUORDSA-N 0 0 315.439 0.765 10 0 DCAERN Cn1cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)ccc1=O ZINC000173266321 302915648 /nfs/dbraw/zinc/91/56/48/302915648.db2.gz AYUUYEPOZZJHHK-CQSZACIVSA-N 0 0 320.393 0.714 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2n[nH]c3c2CCCC3)cn1 ZINC000181339037 302925266 /nfs/dbraw/zinc/92/52/66/302925266.db2.gz BVSIWMWRCJFPRN-AWEZNQCLSA-N 0 0 314.393 0.809 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCCC[C@@]2(C)C(N)=O)c1Cl ZINC000186615661 303017136 /nfs/dbraw/zinc/01/71/36/303017136.db2.gz KECPLHKNTBVXCB-NSHDSACASA-N 0 0 320.802 0.492 10 0 DCAERN O=C(Cn1[n-]c(=O)ccc1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058908229 303664153 /nfs/dbraw/zinc/66/41/53/303664153.db2.gz SSQXUOPNCYCWDD-UHFFFAOYSA-N 0 0 306.366 0.036 10 0 DCAERN COCC1(O)CN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000570652842 332791961 /nfs/dbraw/zinc/79/19/61/332791961.db2.gz VATYVXJUDJUUNV-QGZVFWFLSA-N 0 0 318.373 0.054 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332786216 332870666 /nfs/dbraw/zinc/87/06/66/332870666.db2.gz SWJHERTUAFVGPH-WOPDTQHZSA-N 0 0 306.370 0.119 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000332891155 332897794 /nfs/dbraw/zinc/89/77/94/332897794.db2.gz UKBKEZIWIRKOMH-MNOVXSKESA-N 0 0 313.423 0.423 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc3n[nH]nc31)CC2 ZINC000187995618 333008846 /nfs/dbraw/zinc/00/88/46/333008846.db2.gz HNFBEBPBFWMITA-SECBINFHSA-N 0 0 311.349 0.857 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)CC[C@@H]1C ZINC000188130979 333037540 /nfs/dbraw/zinc/03/75/40/333037540.db2.gz PRUVZZRNLCXHPH-WCQYABFASA-N 0 0 308.382 0.812 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000382179618 333215662 /nfs/dbraw/zinc/21/56/62/333215662.db2.gz LLISQBAVUCHFFK-VIFPVBQESA-N 0 0 304.334 0.962 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@H]2CCCCS2(=O)=O)no1 ZINC000583063290 337234526 /nfs/dbraw/zinc/23/45/26/337234526.db2.gz NXEOUWGFSOGSCQ-SECBINFHSA-N 0 0 315.395 0.951 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Br)c[nH]1)S(N)(=O)=O ZINC000398481257 337311569 /nfs/dbraw/zinc/31/15/69/337311569.db2.gz RRAGQQXFDMNFCW-YFKPBYRVSA-N 0 0 310.173 0.184 10 0 DCAERN C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584444730 337326235 /nfs/dbraw/zinc/32/62/35/337326235.db2.gz QLTRCYIJCFNYSL-ZZKXABKFSA-N 0 0 302.334 0.716 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc2c1OCC2 ZINC000575603524 337384179 /nfs/dbraw/zinc/38/41/79/337384179.db2.gz CPXQIYGEEQXBJU-SNVBAGLBSA-N 0 0 310.375 0.521 10 0 DCAERN COC(C)(C)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000171589109 341781058 /nfs/dbraw/zinc/78/10/58/341781058.db2.gz KFEXVZROLPHLBG-CQSZACIVSA-N 0 0 319.405 0.782 10 0 DCAERN CCc1ccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000173088407 341812500 /nfs/dbraw/zinc/81/25/00/341812500.db2.gz OVQTYMMVWOZEFR-UHFFFAOYSA-N 0 0 301.346 0.828 10 0 DCAERN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000580598476 341884140 /nfs/dbraw/zinc/88/41/40/341884140.db2.gz ZJWIDSHGWCQTKV-XJKCOSOUSA-N 0 0 310.394 0.699 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)cn1 ZINC000577090832 341885035 /nfs/dbraw/zinc/88/50/35/341885035.db2.gz WMAFYTJNALZAAU-OAHLLOKOSA-N 0 0 320.349 0.132 10 0 DCAERN CN1C[C@H](NC(=O)NCC[C@H]2COc3ccccc3O2)CC1=O ZINC000577453635 341910348 /nfs/dbraw/zinc/91/03/48/341910348.db2.gz HMEQIRRPNWISEE-NEPJUHHUSA-N 0 0 319.361 0.746 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2F)CCN1CCO ZINC000188640982 533858569 /nfs/dbraw/zinc/85/85/69/533858569.db2.gz XAZGWFPKHVXLIM-JTQLQIEISA-N 0 0 324.356 0.455 10 0 DCAERN Cc1ccc(CN(C)CCNS(=O)(=O)c2cnn(C)c2)o1 ZINC000173491540 533873318 /nfs/dbraw/zinc/87/33/18/533873318.db2.gz XFYOYCQASUJUGQ-UHFFFAOYSA-N 0 0 312.395 0.732 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCC1(CCO)CC1 ZINC000187974775 533972047 /nfs/dbraw/zinc/97/20/47/533972047.db2.gz RABSHCKUSDZJFC-UHFFFAOYSA-N 0 0 306.362 0.704 10 0 DCAERN Cn1nnnc1CN1CCC[C@@H](CC(=O)N2CCCC2)CC1 ZINC000299745033 534367933 /nfs/dbraw/zinc/36/79/33/534367933.db2.gz QVKJIBDWSUSODU-CYBMUJFWSA-N 0 0 306.414 0.825 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CCC1=O ZINC000186602245 534372738 /nfs/dbraw/zinc/37/27/38/534372738.db2.gz OIHPCHUNNIURKG-MWLCHTKSSA-N 0 0 304.412 0.388 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155550659 519445430 /nfs/dbraw/zinc/44/54/30/519445430.db2.gz FKQDCQWPYUASPY-LLVKDONJSA-N 0 0 301.350 0.923 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)C1 ZINC000365077525 519493082 /nfs/dbraw/zinc/49/30/82/519493082.db2.gz KTDRKIOJBCVLDA-CQSZACIVSA-N 0 0 304.394 0.916 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1(O)Cc2ccccc2C1 ZINC000370946765 519634722 /nfs/dbraw/zinc/63/47/22/519634722.db2.gz HJOSARVMRLGBFR-AWEZNQCLSA-N 0 0 320.414 0.554 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)s1 ZINC000190532115 519851346 /nfs/dbraw/zinc/85/13/46/519851346.db2.gz LMNLGWSWQWXHCI-SECBINFHSA-N 0 0 324.406 0.942 10 0 DCAERN NC(=O)[C@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000171992243 534453102 /nfs/dbraw/zinc/45/31/02/534453102.db2.gz UKNBQKPYQYIUQI-VHSXEESVSA-N 0 0 307.316 0.737 10 0 DCAERN CCNC(=O)c1ccc(N2CCC(F)(F)[C@H](CO)C2)nn1 ZINC000359966741 519892795 /nfs/dbraw/zinc/89/27/95/519892795.db2.gz RBHAMACPWOIJDH-VIFPVBQESA-N 0 0 300.309 0.680 10 0 DCAERN CCOCCN1CCN(C(=O)CN2CCCCC2=O)C[C@@H]1C ZINC000117274829 519913829 /nfs/dbraw/zinc/91/38/29/519913829.db2.gz JALBPPAZFMWROZ-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000154362967 519916486 /nfs/dbraw/zinc/91/64/86/519916486.db2.gz DRIMBHYSXSZSGJ-UHFFFAOYSA-N 0 0 322.413 0.729 10 0 DCAERN CC(C)n1nnnc1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 ZINC000367429329 520142986 /nfs/dbraw/zinc/14/29/86/520142986.db2.gz ILLHLIKAQAFMNH-GXTWGEPZSA-N 0 0 322.413 0.356 10 0 DCAERN CC1(CNC(=O)Cn2c3ccccc3[nH]c2=O)OCCCO1 ZINC000191154792 520709736 /nfs/dbraw/zinc/70/97/36/520709736.db2.gz TYTWCAAKKNRJMT-UHFFFAOYSA-N 0 0 305.334 0.599 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CC(CO)C1 ZINC000191612225 521359615 /nfs/dbraw/zinc/35/96/15/521359615.db2.gz YARYMZSDQVYSQF-UHFFFAOYSA-N 0 0 305.378 0.669 10 0 DCAERN CCCc1noc(CS(=O)(=O)C[C@@H](O)C(F)(F)F)n1 ZINC000158631134 521588120 /nfs/dbraw/zinc/58/81/20/521588120.db2.gz BKMLEDRXSYWDEW-ZCFIWIBFSA-N 0 0 302.274 0.860 10 0 DCAERN CCS[C@@H](C)c1noc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000247938496 521721735 /nfs/dbraw/zinc/72/17/35/521721735.db2.gz CTAWIYTVKFMTIA-KXUCPTDWSA-N 0 0 314.411 0.958 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190808896 521741026 /nfs/dbraw/zinc/74/10/26/521741026.db2.gz KMSLECQWSNZMKG-LBPRGKRZSA-N 0 0 309.370 0.122 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)CCO1 ZINC000156657838 521762916 /nfs/dbraw/zinc/76/29/16/521762916.db2.gz QVUDXCQZHTVRLP-ZYHUDNBSSA-N 0 0 321.381 0.833 10 0 DCAERN CNC(=O)c1cc(O[C@H]2CCN(C(=O)c3ccon3)C2)ccn1 ZINC000370977768 521787048 /nfs/dbraw/zinc/78/70/48/521787048.db2.gz CZXNXXHCOALFNQ-NSHDSACASA-N 0 0 316.317 0.723 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)s1 ZINC000190634572 522043859 /nfs/dbraw/zinc/04/38/59/522043859.db2.gz MXJJAIKVNPKCHP-VIFPVBQESA-N 0 0 310.379 0.381 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000159036319 522204468 /nfs/dbraw/zinc/20/44/68/522204468.db2.gz ROFNGVUIFWRUQW-GFCCVEGCSA-N 0 0 320.455 0.115 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)nc2)CC1 ZINC000120662379 522206659 /nfs/dbraw/zinc/20/66/59/522206659.db2.gz YLYVYCGJSZSTKM-CQSZACIVSA-N 0 0 320.393 0.244 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)C1CC1 ZINC000126547180 522327635 /nfs/dbraw/zinc/32/76/35/522327635.db2.gz RCOFCAHVAOQFRT-CYBMUJFWSA-N 0 0 305.382 0.733 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1 ZINC000246719173 522507395 /nfs/dbraw/zinc/50/73/95/522507395.db2.gz LPAWMXFGNOZVMV-SOUVJXGZSA-N 0 0 312.410 0.504 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1cn(Cc2ccccc2)nn1 ZINC000182883055 522521752 /nfs/dbraw/zinc/52/17/52/522521752.db2.gz UPRREILITVVEDS-MRXNPFEDSA-N 0 0 318.377 0.844 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000189135785 522595130 /nfs/dbraw/zinc/59/51/30/522595130.db2.gz LSOAPZXBIYTOCW-UHFFFAOYSA-N 0 0 318.420 0.257 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)CCc1ccnn1C ZINC000131289959 522670307 /nfs/dbraw/zinc/67/03/07/522670307.db2.gz XWQYEHMQCVEERR-UHFFFAOYSA-N 0 0 305.382 0.974 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000185228368 522760496 /nfs/dbraw/zinc/76/04/96/522760496.db2.gz XLNCMGJVUXZXNP-UHFFFAOYSA-N 0 0 302.252 0.691 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000157936384 522778960 /nfs/dbraw/zinc/77/89/60/522778960.db2.gz DZWJCVKRGINJRJ-UHFFFAOYSA-N 0 0 305.334 0.645 10 0 DCAERN COC(=O)C1(NC[C@@H](O)CN2CCCC2=O)CCCCCC1 ZINC000154833849 522856280 /nfs/dbraw/zinc/85/62/80/522856280.db2.gz IMIWECPMIYPKSF-CYBMUJFWSA-N 0 0 312.410 0.825 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000182880971 522877968 /nfs/dbraw/zinc/87/79/68/522877968.db2.gz XVOINKFYEHYNSM-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000130568181 523045369 /nfs/dbraw/zinc/04/53/69/523045369.db2.gz UDIAFLQEOMIAIU-UHFFFAOYSA-N 0 0 305.338 0.805 10 0 DCAERN COC(=O)CCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104236641 523098424 /nfs/dbraw/zinc/09/84/24/523098424.db2.gz TVFJOADKVDROCA-UHFFFAOYSA-N 0 0 309.713 0.609 10 0 DCAERN COC(=O)NCCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126756025 523450329 /nfs/dbraw/zinc/45/03/29/523450329.db2.gz HWLNPUOAXQOWBX-GFCCVEGCSA-N 0 0 309.370 0.653 10 0 DCAERN COC(=O)N[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)C(C)C ZINC000127556146 523461748 /nfs/dbraw/zinc/46/17/48/523461748.db2.gz JRIDWTQLFWQMJW-STQMWFEESA-N 0 0 323.397 0.897 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)NCCC(=O)N(C)C)CCO2)cn1 ZINC000191146469 523464705 /nfs/dbraw/zinc/46/47/05/523464705.db2.gz SDFXKWCMFFYXKC-ZDUSSCGKSA-N 0 0 323.397 0.464 10 0 DCAERN CCn1cc([C@@H]2CN(CCCC(=O)NC(N)=O)CCO2)cn1 ZINC000190802574 523466682 /nfs/dbraw/zinc/46/66/82/523466682.db2.gz MWNWQUHMKWYAPY-LBPRGKRZSA-N 0 0 309.370 0.251 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000368464776 523619782 /nfs/dbraw/zinc/61/97/82/523619782.db2.gz HXGVCXXTOJGEPK-RSUWNVLCSA-N 0 0 309.410 0.942 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H](O)C(C)(C)C ZINC000324477829 523705310 /nfs/dbraw/zinc/70/53/10/523705310.db2.gz IGJGAUZYSIOGDY-GMTAPVOTSA-N 0 0 307.412 0.655 10 0 DCAERN CN1C(=O)N[C@]2(CCN(C(=O)C[C@H](O)CC(C)(C)C)C2)C1=O ZINC000365958822 523722733 /nfs/dbraw/zinc/72/27/33/523722733.db2.gz AEBJFXOQPJWAET-BONVTDFDSA-N 0 0 311.382 0.326 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3C[C@H](F)C[C@H]3CO)cc2C1=O ZINC000364618675 523733725 /nfs/dbraw/zinc/73/37/25/523733725.db2.gz YXKHERDPKFAQNY-ZJUUUORDSA-N 0 0 306.293 0.457 10 0 DCAERN CN1CCN([C@H](C(=O)N2CC(CO)C2)c2ccccc2)CC1 ZINC000159109766 523919613 /nfs/dbraw/zinc/91/96/13/523919613.db2.gz CTYITXADHJSQIE-INIZCTEOSA-N 0 0 303.406 0.426 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000124873859 523950055 /nfs/dbraw/zinc/95/00/55/523950055.db2.gz KDAAHRXEQQKYEV-CQSZACIVSA-N 0 0 301.350 0.328 10 0 DCAERN CO[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC[C@H]1C ZINC000187937440 524004294 /nfs/dbraw/zinc/00/42/94/524004294.db2.gz PDZNNBWCITZJMW-MFKMUULPSA-N 0 0 318.377 0.757 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H](O)c2ccccc2F)CCC1=O ZINC000128611364 524010503 /nfs/dbraw/zinc/01/05/03/524010503.db2.gz ZNWORAWXTNDBCT-GWCFXTLKSA-N 0 0 309.341 0.779 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000131545902 524075155 /nfs/dbraw/zinc/07/51/55/524075155.db2.gz KTLHAWCZPBAXJL-RYUDHWBXSA-N 0 0 308.378 0.487 10 0 DCAERN COc1ccc(F)cc1CNC(=O)CCN1C(=O)CCC1=O ZINC000189321419 524310738 /nfs/dbraw/zinc/31/07/38/524310738.db2.gz ACPVDOXZKGYXEX-UHFFFAOYSA-N 0 0 308.309 0.990 10 0 DCAERN COc1ccc(F)cc1CNC(=O)CCS(=O)(=O)N(C)C ZINC000188684641 524311255 /nfs/dbraw/zinc/31/12/55/524311255.db2.gz CBNPVIXNEFFAIM-UHFFFAOYSA-N 0 0 318.370 0.732 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)[C@H]1CO ZINC000190235931 524463393 /nfs/dbraw/zinc/46/33/93/524463393.db2.gz IWFMNEUIXZQAGV-OCCSQVGLSA-N 0 0 305.378 0.829 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC000188569164 524568888 /nfs/dbraw/zinc/56/88/88/524568888.db2.gz YFCYOWFFHHPHEE-CQSZACIVSA-N 0 0 317.389 0.868 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000245693802 524572345 /nfs/dbraw/zinc/57/23/45/524572345.db2.gz VBXOGTZCWSNEIA-REJLFOLJSA-N 0 0 305.378 0.734 10 0 DCAERN C[C@H]1CN(CC(=O)NCc2ccc(F)cc2)CCS1(=O)=O ZINC000155553876 524579841 /nfs/dbraw/zinc/57/98/41/524579841.db2.gz DLXOWTIGLZANDH-NSHDSACASA-N 0 0 314.382 0.561 10 0 DCAERN C[C@@H](CN1CCN(Cc2ccon2)CC1)CS(C)(=O)=O ZINC000119436698 524621258 /nfs/dbraw/zinc/62/12/58/524621258.db2.gz VHLIEJUTKYMTOW-LBPRGKRZSA-N 0 0 301.412 0.473 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCCNC(=O)c1ccccc1F ZINC000153956411 524810517 /nfs/dbraw/zinc/81/05/17/524810517.db2.gz OCCKSADCYVSZHA-WDEREUQCSA-N 0 0 311.357 0.872 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000158787255 524812755 /nfs/dbraw/zinc/81/27/55/524812755.db2.gz NMGDUBWNHBSORF-VHSXEESVSA-N 0 0 321.420 0.385 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268226724 524949310 /nfs/dbraw/zinc/94/93/10/524949310.db2.gz XKUBPIXCBYLHDU-NSHDSACASA-N 0 0 314.411 0.490 10 0 DCAERN C[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCS1(=O)=O ZINC000155411098 525058966 /nfs/dbraw/zinc/05/89/66/525058966.db2.gz FSMPAQYZLXIQJY-TZMCWYRMSA-N 0 0 308.403 0.911 10 0 DCAERN C[C@]1(C(=O)N2CCN(C(=O)c3cccnc3)CC2)CCCO1 ZINC000267934091 525193592 /nfs/dbraw/zinc/19/35/92/525193592.db2.gz FVXHQKJYHBVWMG-MRXNPFEDSA-N 0 0 303.362 0.935 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCCO1 ZINC000267963429 525194458 /nfs/dbraw/zinc/19/44/58/525194458.db2.gz JIMXXAXNWBMXTR-ZUZCIYMTSA-N 0 0 306.366 0.784 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H](O)Cc2ccccc2)CC1=O ZINC000366376412 525315823 /nfs/dbraw/zinc/31/58/23/525315823.db2.gz HIBINZWNJURJEO-UNQGMJICSA-N 0 0 302.374 0.716 10 0 DCAERN CSCCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000191349645 525379645 /nfs/dbraw/zinc/37/96/45/525379645.db2.gz PJXPKHSGCDTMPU-UHFFFAOYSA-N 0 0 308.363 0.324 10 0 DCAERN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000129263933 525489663 /nfs/dbraw/zinc/48/96/63/525489663.db2.gz PVAZHFBLTCBINJ-RYUDHWBXSA-N 0 0 324.402 0.410 10 0 DCAERN C[C@H](O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188379794 525726489 /nfs/dbraw/zinc/72/64/89/525726489.db2.gz WBLIOQBDLLXOQS-SMDDNHRTSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249971479 525913290 /nfs/dbraw/zinc/91/32/90/525913290.db2.gz KLNPWTIKPJDFAD-SOUVJXGZSA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1nccs1 ZINC000157870392 525930863 /nfs/dbraw/zinc/93/08/63/525930863.db2.gz MUWLYAFINCIADC-LLVKDONJSA-N 0 0 324.450 0.743 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCC3(C)OCCCO3)c2=O)s1 ZINC000191092767 525943284 /nfs/dbraw/zinc/94/32/84/525943284.db2.gz WNMBXBQFLHZOMO-UHFFFAOYSA-N 0 0 323.374 0.947 10 0 DCAERN C[C@@H](c1ccccn1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245549036 526112208 /nfs/dbraw/zinc/11/22/08/526112208.db2.gz YQMJGBKOCAGVDO-QWHCGFSZSA-N 0 0 304.394 0.798 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@H](C)CO)c(O)c1 ZINC000126849182 526160654 /nfs/dbraw/zinc/16/06/54/526160654.db2.gz FTMQDYCGNWGSIH-VXGBXAGGSA-N 0 0 308.378 0.954 10 0 DCAERN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000267707853 526514146 /nfs/dbraw/zinc/51/41/46/526514146.db2.gz IHPOEYLPDLFSIJ-YPMHNXCESA-N 0 0 321.764 0.880 10 0 DCAERN O=C(NC[C@H](c1ccccc1)N1CCOCC1)N1CC(CO)C1 ZINC000191040214 526579454 /nfs/dbraw/zinc/57/94/54/526579454.db2.gz YUKCBAGDHQYECV-MRXNPFEDSA-N 0 0 319.405 0.694 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c(=O)[nH]c1C ZINC000156317812 526652654 /nfs/dbraw/zinc/65/26/54/526652654.db2.gz FGKGPIWRQDHXFL-JTQLQIEISA-N 0 0 316.365 0.806 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3cc(C)ccn3)CC2)C1 ZINC000158732949 526656712 /nfs/dbraw/zinc/65/67/12/526656712.db2.gz RQDWFUBZABSQGK-HNNXBMFYSA-N 0 0 316.405 0.907 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000178369141 526677846 /nfs/dbraw/zinc/67/78/46/526677846.db2.gz WJBBDBKYHBITDF-DYEKYZERSA-N 0 0 300.424 0.965 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ncc(C(N)=O)s1 ZINC000330704147 526680390 /nfs/dbraw/zinc/68/03/90/526680390.db2.gz JPTGGJAMFUUTIE-LURJTMIESA-N 0 0 300.365 0.886 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000190486431 526712877 /nfs/dbraw/zinc/71/28/77/526712877.db2.gz JVBBXLALQYQJEN-JTQLQIEISA-N 0 0 307.316 0.608 10 0 DCAERN NC(=O)NCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191568878 526932911 /nfs/dbraw/zinc/93/29/11/526932911.db2.gz CRMOELPYCJCCPR-GFCCVEGCSA-N 0 0 322.340 0.101 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000153045257 526942187 /nfs/dbraw/zinc/94/21/87/526942187.db2.gz ZKRVCDLXPCFEEE-WMLDXEAASA-N 0 0 317.389 0.905 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000154339892 526977488 /nfs/dbraw/zinc/97/74/88/526977488.db2.gz PCACTOKJSZTILP-YPMHNXCESA-N 0 0 321.381 0.332 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000119975793 527038426 /nfs/dbraw/zinc/03/84/26/527038426.db2.gz ZDFCYBVYYZDPOG-WBMJQRKESA-N 0 0 303.362 0.948 10 0 DCAERN NC(=O)c1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cn1 ZINC000189302271 527062516 /nfs/dbraw/zinc/06/25/16/527062516.db2.gz IAMNQEWCOWLPCM-AWEZNQCLSA-N 0 0 318.377 0.762 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)NC1(CO)CCC1 ZINC000194603604 527096249 /nfs/dbraw/zinc/09/62/49/527096249.db2.gz TUHSZVVKTHENAR-UHFFFAOYSA-N 0 0 315.333 0.441 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000330867656 527138643 /nfs/dbraw/zinc/13/86/43/527138643.db2.gz YDHPXAASVBHVNH-INIZCTEOSA-N 0 0 308.353 0.924 10 0 DCAERN O=Cc1ccc(OCC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000189427035 527149884 /nfs/dbraw/zinc/14/98/84/527149884.db2.gz OXSYDOSFHCKBSE-UHFFFAOYSA-N 0 0 302.330 0.615 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000330838960 527154840 /nfs/dbraw/zinc/15/48/40/527154840.db2.gz MRZJXMAVJOGNLE-MRXNPFEDSA-N 0 0 308.353 0.924 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)cn1 ZINC000154450217 527246964 /nfs/dbraw/zinc/24/69/64/527246964.db2.gz SBQFQIRWKOOLOO-OLZOCXBDSA-N 0 0 319.409 0.374 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190989156 527388061 /nfs/dbraw/zinc/38/80/61/527388061.db2.gz RMABFHPECYPUAE-SNVBAGLBSA-N 0 0 310.375 0.788 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172439074 527477128 /nfs/dbraw/zinc/47/71/28/527477128.db2.gz JEQMAYCYCQLMPP-RWMBFGLXSA-N 0 0 309.410 0.794 10 0 DCAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)nc2)C1)C1CC1 ZINC000187922627 527543841 /nfs/dbraw/zinc/54/38/41/527543841.db2.gz CPLCMKUCPHRITH-UHFFFAOYSA-N 0 0 315.782 0.634 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc12 ZINC000120548197 527687152 /nfs/dbraw/zinc/68/71/52/527687152.db2.gz ZKJFQARUIVNWRK-DTWKUNHWSA-N 0 0 312.395 0.572 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)NCc2noc(C)n2)C1(C)C ZINC000188935616 527867770 /nfs/dbraw/zinc/86/77/70/527867770.db2.gz BESBSHKESIJQND-YGRLFVJLSA-N 0 0 312.370 0.743 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC000157108197 527951276 /nfs/dbraw/zinc/95/12/76/527951276.db2.gz FTOGSUBJERGJNR-KBPBESRZSA-N 0 0 309.410 0.905 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000299652126 527963607 /nfs/dbraw/zinc/96/36/07/527963607.db2.gz JPRKVPIBSZWOLH-TZMCWYRMSA-N 0 0 324.402 0.909 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178921609 528017708 /nfs/dbraw/zinc/01/77/08/528017708.db2.gz LBHOPRAZUJTFSZ-SNVBAGLBSA-N 0 0 300.403 0.219 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n(C)n1 ZINC000174246649 528023536 /nfs/dbraw/zinc/02/35/36/528023536.db2.gz NVPUVCFANQFTLQ-JTQLQIEISA-N 0 0 314.411 0.307 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000178136152 528048430 /nfs/dbraw/zinc/04/84/30/528048430.db2.gz HRXDXUGIYIQLIW-LBPRGKRZSA-N 0 0 323.437 0.866 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000299652120 528149828 /nfs/dbraw/zinc/14/98/28/528149828.db2.gz JPRKVPIBSZWOLH-OCCSQVGLSA-N 0 0 324.402 0.909 10 0 DCAERN CCCCS(=O)(=O)N1CCC(C(=O)N2CCCO2)CC1 ZINC000154828590 528714102 /nfs/dbraw/zinc/71/41/02/528714102.db2.gz YIHFTSRXWXEEIR-UHFFFAOYSA-N 0 0 304.412 0.992 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)S(C)(=O)=O)CC[S@]1=O ZINC000186717420 529069715 /nfs/dbraw/zinc/06/97/15/529069715.db2.gz YEVOGPOAGQIAEI-MGNBDDOMSA-N 0 0 309.453 0.569 10 0 DCAERN CC1(C)CN(C(=O)NCCn2cccn2)CCS1(=O)=O ZINC000123257694 529086934 /nfs/dbraw/zinc/08/69/34/529086934.db2.gz ODJDUPKHTOZHLL-UHFFFAOYSA-N 0 0 300.384 0.102 10 0 DCAERN CC1(C)CN(C[C@H](O)COCc2ccco2)CCS1(=O)=O ZINC000154664336 529122145 /nfs/dbraw/zinc/12/21/45/529122145.db2.gz NZRCUSPHLALQTR-LBPRGKRZSA-N 0 0 317.407 0.666 10 0 DCAERN CCN1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000175503064 529126494 /nfs/dbraw/zinc/12/64/94/529126494.db2.gz ZPLONISOZCDTQM-UHFFFAOYSA-N 0 0 317.455 0.689 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)NCc1cc(C(N)=O)co1 ZINC000190360475 529360202 /nfs/dbraw/zinc/36/02/02/529360202.db2.gz CBXSRLHONBLLCS-SECBINFHSA-N 0 0 310.354 0.483 10 0 DCAERN CC(C)(CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000457733701 535127473 /nfs/dbraw/zinc/12/74/73/535127473.db2.gz NIJGEMMPFPKYCO-AWEZNQCLSA-N 0 0 317.393 0.916 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459606314 535572732 /nfs/dbraw/zinc/57/27/32/535572732.db2.gz MZPWGTPEPIZPKA-LLVKDONJSA-N 0 0 320.353 0.563 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccnc(C)c2)C1 ZINC000454687189 535791824 /nfs/dbraw/zinc/79/18/24/535791824.db2.gz UVBUZLWHFHIBFV-CYBMUJFWSA-N 0 0 305.382 0.993 10 0 DCAERN CCc1nc(CN2CCN(C[C@@H](O)C(F)(F)F)CC2)no1 ZINC000121630296 536136610 /nfs/dbraw/zinc/13/66/10/536136610.db2.gz SGUZHJJQEGKRMD-SECBINFHSA-N 0 0 308.304 0.673 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCNS(C)(=O)=O)c1 ZINC000457446172 536881415 /nfs/dbraw/zinc/88/14/15/536881415.db2.gz WEESSSVAQYJTTL-UHFFFAOYSA-N 0 0 314.363 0.061 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000043592749 545649575 /nfs/dbraw/zinc/64/95/75/545649575.db2.gz UQADRGQMCPSQIE-LLVKDONJSA-N 0 0 315.370 0.697 10 0 DCAERN NC(=O)NCC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000052955061 545654528 /nfs/dbraw/zinc/65/45/28/545654528.db2.gz OAGMOBQMRJKPQO-UHFFFAOYSA-N 0 0 317.349 0.161 10 0 DCAERN CC[NH2+][C@](C)(Cn1cc(I)cn1)C(=O)[O-] ZINC000070678560 545661701 /nfs/dbraw/zinc/66/17/01/545661701.db2.gz OEVPOZLNOAGXBJ-SECBINFHSA-N 0 0 323.134 0.941 10 0 DCAERN C[C@]([NH3+])(CCn1cc(I)cn1)C(=O)[O-] ZINC000070678473 545660859 /nfs/dbraw/zinc/66/08/59/545660859.db2.gz SMJJJJXNHCEKLI-QMMMGPOBSA-N 0 0 309.107 0.680 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000075509728 545675347 /nfs/dbraw/zinc/67/53/47/545675347.db2.gz QDUDWBVICZJESO-SNVBAGLBSA-N 0 0 317.349 0.353 10 0 DCAERN CCOC[C@H](C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC000087899172 545709754 /nfs/dbraw/zinc/70/97/54/545709754.db2.gz XKENKPCGQLUKGX-JTQLQIEISA-N 0 0 300.380 0.797 10 0 DCAERN O=C(CO)N1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000089548977 545714865 /nfs/dbraw/zinc/71/48/65/545714865.db2.gz PPHUWWDHTCITCE-UHFFFAOYSA-N 0 0 306.337 0.520 10 0 DCAERN CCc1ccc(CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000132527179 545794754 /nfs/dbraw/zinc/79/47/54/545794754.db2.gz XWVJMXDKWPHPOV-MRXNPFEDSA-N 0 0 306.406 0.601 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177952041 545893429 /nfs/dbraw/zinc/89/34/29/545893429.db2.gz FGASWWCLZICXLF-JSGCOSHPSA-N 0 0 320.393 0.899 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177968444 545894226 /nfs/dbraw/zinc/89/42/26/545894226.db2.gz HKDPXYZBLCDUST-OCCSQVGLSA-N 0 0 320.393 0.899 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)no1 ZINC000178255550 545894794 /nfs/dbraw/zinc/89/47/94/545894794.db2.gz WKKIDNJYGQQMMX-AAEUAGOBSA-N 0 0 308.382 0.980 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000178139106 545895150 /nfs/dbraw/zinc/89/51/50/545895150.db2.gz QZJABFSNTVPXDF-LBPRGKRZSA-N 0 0 319.336 0.846 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccn(C)c2C)CC1 ZINC000195249916 545934080 /nfs/dbraw/zinc/93/40/80/545934080.db2.gz OJGWIZYVGRXQKT-UHFFFAOYSA-N 0 0 320.393 0.144 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284800700 546000843 /nfs/dbraw/zinc/00/08/43/546000843.db2.gz IAPSRQWLSUKPCU-OAHLLOKOSA-N 0 0 318.381 0.792 10 0 DCAERN O=c1[nH]c(=O)n(C[C@H]2CCOC2)cc1I ZINC000307107698 546021745 /nfs/dbraw/zinc/02/17/45/546021745.db2.gz ZLZCJFKSENNXTJ-ZCFIWIBFSA-N 0 0 322.102 0.590 10 0 DCAERN CO[C@H](C)c1nsc(NCC(C)(C)NS(C)(=O)=O)n1 ZINC000311703102 546022961 /nfs/dbraw/zinc/02/29/61/546022961.db2.gz IFPXHZSPMPPLHW-SSDOTTSWSA-N 0 0 308.429 0.985 10 0 DCAERN CCN1CCO[C@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481592 546023161 /nfs/dbraw/zinc/02/31/61/546023161.db2.gz HKWKPVHXKDUZFH-SECBINFHSA-N 0 0 320.440 0.232 10 0 DCAERN O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000329741299 546054600 /nfs/dbraw/zinc/05/46/00/546054600.db2.gz OMZREZXQKRXBBN-CQSZACIVSA-N 0 0 317.455 0.514 10 0 DCAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C)n(C)n2)C1 ZINC000330229210 546056840 /nfs/dbraw/zinc/05/68/40/546056840.db2.gz VSHWUOQYYLLMHW-QWRGUYRKSA-N 0 0 320.353 1.414 10 0 DCAERN Cc1nc([C@@H](C)NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cs1 ZINC000332921236 546066008 /nfs/dbraw/zinc/06/60/08/546066008.db2.gz BUMALPSGLPWWHX-PSASIEDQSA-N 0 0 309.395 0.932 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000333087344 546071491 /nfs/dbraw/zinc/07/14/91/546071491.db2.gz NJJDIQXYCVLHGT-LBPRGKRZSA-N 0 0 323.418 0.724 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000333541649 546084110 /nfs/dbraw/zinc/08/41/10/546084110.db2.gz JHPCDFYOETYOST-RYUDHWBXSA-N 0 0 310.402 0.200 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](F)C3)C2=O)n(C)n1 ZINC000333997317 546096630 /nfs/dbraw/zinc/09/66/30/546096630.db2.gz OSWBODGNQMGYOI-VXGBXAGGSA-N 0 0 323.372 0.977 10 0 DCAERN CN(CCOCCO)C(=O)CN(C)c1ccc(Cl)cn1 ZINC000383525487 546216705 /nfs/dbraw/zinc/21/67/05/546216705.db2.gz KCWPPTMIDIHZEM-UHFFFAOYSA-N 0 0 301.774 0.639 10 0 DCAERN Nc1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c(F)c1 ZINC000404153631 546227229 /nfs/dbraw/zinc/22/72/29/546227229.db2.gz OSKIDOSUNMVNAS-GFCCVEGCSA-N 0 0 304.343 0.228 10 0 DCAERN O=S(=O)(c1ccccc1)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671431046 547210426 /nfs/dbraw/zinc/21/04/26/547210426.db2.gz CCRCIZPNSGPPQP-CYBMUJFWSA-N 0 0 308.363 0.104 10 0 DCAERN N[C@@]1(c2ncc(Br)cn2)CCCS(=O)(=O)C1 ZINC000675074550 547659128 /nfs/dbraw/zinc/65/91/28/547659128.db2.gz ZNBPPCSCIZIOOC-VIFPVBQESA-N 0 0 306.185 0.602 10 0 DCAERN Cc1cccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)c1F ZINC000681820960 548299497 /nfs/dbraw/zinc/29/94/97/548299497.db2.gz LWISYGKKYVMRIG-JTQLQIEISA-N 0 0 300.355 0.891 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3nc(C(N)=O)nn32)C1 ZINC000232498006 563961883 /nfs/dbraw/zinc/96/18/83/563961883.db2.gz KTNFSJZKAYSIJN-DTWKUNHWSA-N 0 0 322.369 0.601 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888094141 661157954 /nfs/dbraw/zinc/15/79/54/661157954.db2.gz AIBCAMIEOXJLMY-UONOGXRCSA-N 0 0 319.365 0.265 10 0 DCAERN CCOCCNC(=O)CN1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 ZINC000888102963 661182900 /nfs/dbraw/zinc/18/29/00/661182900.db2.gz WYIFGTIALURWTF-KGLIPLIRSA-N 0 0 324.425 0.941 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@H]1C(F)(F)F ZINC000739591637 667709388 /nfs/dbraw/zinc/70/93/88/667709388.db2.gz WLESLHNVPZKQSM-IUCAKERBSA-N 0 0 312.313 0.698 10 0 DCAERN C[C@@H](CCO)NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255106760 657492129 /nfs/dbraw/zinc/49/21/29/657492129.db2.gz ZLMKYRVSIKCGNG-OFSNVTPPSA-N 0 0 312.391 0.958 10 0 DCAERN CCCN(CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)CC(=O)NC ZINC000255108492 657528909 /nfs/dbraw/zinc/52/89/09/657528909.db2.gz MLOOGALJKFHWJY-LBPRGKRZSA-N 0 0 321.425 0.673 10 0 DCAERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721534959 657573008 /nfs/dbraw/zinc/57/30/08/657573008.db2.gz CPFJKLSSOWVOAN-MMWGEVLESA-N 0 0 304.412 0.373 10 0 DCAERN COC(=O)[C@@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255140824 657762372 /nfs/dbraw/zinc/76/23/72/657762372.db2.gz CPKYNQGKVRLKMZ-RYUDHWBXSA-N 0 0 322.409 0.955 10 0 DCAERN CCOCCC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000176153766 657906126 /nfs/dbraw/zinc/90/61/26/657906126.db2.gz AFHIDOXBOHEGIJ-UHFFFAOYSA-N 0 0 312.410 0.901 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccn(CCCOC)n1 ZINC000743170385 667804549 /nfs/dbraw/zinc/80/45/49/667804549.db2.gz BGBXUNXSYJMJRH-FQEVSTJZSA-N 0 0 302.400 0.810 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@H]2CC23CCOCC3)CCC1 ZINC000721582212 658156425 /nfs/dbraw/zinc/15/64/25/658156425.db2.gz QZJMTSIOUNGSKU-SNVBAGLBSA-N 0 0 302.396 0.131 10 0 DCAERN CCc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n[nH]1 ZINC000120626845 658232761 /nfs/dbraw/zinc/23/27/61/658232761.db2.gz MEGKNNQOHUJHRK-UHFFFAOYSA-N 0 0 321.362 0.408 10 0 DCAERN O=C(NCc1cscn1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000050407126 658243405 /nfs/dbraw/zinc/24/34/05/658243405.db2.gz UVEKHPRXWDVJPN-UHFFFAOYSA-N 0 0 324.387 0.257 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN(C)CCc2ncc(C)s2)C1 ZINC000181391329 665569262 /nfs/dbraw/zinc/56/92/62/665569262.db2.gz SFEMODPAPJCOEX-NSHDSACASA-N 0 0 311.407 0.905 10 0 DCAERN CNC(=O)[C@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255628278 658418928 /nfs/dbraw/zinc/41/89/28/658418928.db2.gz SDWYAPJGZCWQCL-DGCLKSJQSA-N 0 0 319.409 0.425 10 0 DCAERN COCCN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1=O ZINC000255765828 658512442 /nfs/dbraw/zinc/51/24/42/658512442.db2.gz CIXWGWFZZBINEO-GHXNOFRVSA-N 0 0 324.402 0.778 10 0 DCAERN CCOC(=O)CCc1nc(C2(N)CC[NH+](C3CC3)CC2)no1 ZINC000757183911 658642023 /nfs/dbraw/zinc/64/20/23/658642023.db2.gz SQKDTXUMEDSWMX-UHFFFAOYSA-N 0 0 308.382 0.978 10 0 DCAERN CC(=O)NCCNC(=O)CCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000069557444 665600914 /nfs/dbraw/zinc/60/09/14/665600914.db2.gz JQSKWEMUGYKINW-UHFFFAOYSA-N 0 0 319.365 0.237 10 0 DCAERN CCc1cnccc1NC(=O)[C@@H]1Cn2c(C)nnc2CN1C ZINC000888076436 658713023 /nfs/dbraw/zinc/71/30/23/658713023.db2.gz KHPIFWZPPKOIMH-ZDUSSCGKSA-N 0 0 300.366 0.419 10 0 DCAERN C[C@@H](NC(=O)CNC(N)=O)c1ccc(N2CCCC2=O)cc1 ZINC000065992431 658752692 /nfs/dbraw/zinc/75/26/92/658752692.db2.gz SUHABHRIVGYTOC-SNVBAGLBSA-N 0 0 304.350 0.659 10 0 DCAERN O=C(COC1CCCCC1)NCCCN1CCCS1(=O)=O ZINC000725759828 658761043 /nfs/dbraw/zinc/76/10/43/658761043.db2.gz VOICKLCHMFFATQ-UHFFFAOYSA-N 0 0 318.439 0.878 10 0 DCAERN Cn1c2ncn(COC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000146082658 658886467 /nfs/dbraw/zinc/88/64/67/658886467.db2.gz OTJNEINNDLWGAG-UHFFFAOYSA-N 0 0 314.301 0.248 10 0 DCAERN CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@@H]2CCOC2)cc1 ZINC000255909434 659022456 /nfs/dbraw/zinc/02/24/56/659022456.db2.gz GNVGAUUNNQLNFV-LLPBQKLSSA-N 0 0 310.375 0.976 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@@H](Cc3ccccc3)C2)nn1 ZINC000182954702 659149551 /nfs/dbraw/zinc/14/95/51/659149551.db2.gz LHTGUULTCHIFQS-AWEZNQCLSA-N 0 0 316.361 0.966 10 0 DCAERN C[C@H](CCn1cccn1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000183840207 659195781 /nfs/dbraw/zinc/19/57/81/659195781.db2.gz GZZVVOUXRPSMKJ-NEPJUHHUSA-N 0 0 315.395 0.629 10 0 DCAERN NC(=O)c1ccc(=O)n(C[C@H](O)c2ccc(F)cc2Cl)n1 ZINC000184980150 659238980 /nfs/dbraw/zinc/23/89/80/659238980.db2.gz FXYMFSXJFUZFGE-NSHDSACASA-N 0 0 311.700 0.868 10 0 DCAERN CCNC(=O)c1ccc(NCCS(=O)(=O)C(C)C)nn1 ZINC000313583686 659304854 /nfs/dbraw/zinc/30/48/54/659304854.db2.gz YAIAXKQKVVRLQA-UHFFFAOYSA-N 0 0 300.384 0.461 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)s1 ZINC000311756345 659359347 /nfs/dbraw/zinc/35/93/47/659359347.db2.gz VTRZKKXLJYHIFS-IUCAKERBSA-N 0 0 306.409 0.981 10 0 DCAERN NC(=O)c1coc(CNC=C2C(=O)NC(=O)c3ccccc32)c1 ZINC000189364205 659362928 /nfs/dbraw/zinc/36/29/28/659362928.db2.gz VLHBVPMXHXSCEY-NTUHNPAUSA-N 0 0 311.297 0.779 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000312699112 659428630 /nfs/dbraw/zinc/42/86/30/659428630.db2.gz DAJQBWBHVKPNFS-LBPRGKRZSA-N 0 0 318.160 0.841 10 0 DCAERN Cc1n[nH]nc1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000194545812 659508130 /nfs/dbraw/zinc/50/81/30/659508130.db2.gz NUACTRLAUKKRCB-UHFFFAOYSA-N 0 0 301.354 0.676 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)C)C2=O)C1 ZINC000124099909 659646442 /nfs/dbraw/zinc/64/64/42/659646442.db2.gz NWMXSIUXPDXMMA-WFASDCNBSA-N 0 0 310.398 0.511 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000048672584 661957153 /nfs/dbraw/zinc/95/71/53/661957153.db2.gz ISVUZUUGMXNZCJ-SSDOTTSWSA-N 0 0 307.759 0.257 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000726916601 661963541 /nfs/dbraw/zinc/96/35/41/661963541.db2.gz SRAVZRXMQQLKCS-NEPJUHHUSA-N 0 0 314.407 0.662 10 0 DCAERN O=C(N[C@@H]1CCOC1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000178935532 662047857 /nfs/dbraw/zinc/04/78/57/662047857.db2.gz ZXZNTUPILSPVHO-AGIUHOORSA-N 0 0 310.350 0.902 10 0 DCAERN O=C([O-])c1nccnc1C(=O)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223171397 662060462 /nfs/dbraw/zinc/06/04/62/662060462.db2.gz OYLBYACZEYKEHZ-VIFPVBQESA-N 0 0 318.333 0.306 10 0 DCAERN CNC(=O)c1ccc(C(=O)OCC(=O)N(C)CC2CC2)cn1 ZINC000728678660 662410589 /nfs/dbraw/zinc/41/05/89/662410589.db2.gz WJPHJXNNYIBPDH-UHFFFAOYSA-N 0 0 305.334 0.466 10 0 DCAERN CONC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21 ZINC000053791356 662788456 /nfs/dbraw/zinc/78/84/56/662788456.db2.gz FUWOYJGZPOJVJA-UHFFFAOYSA-N 0 0 301.262 0.379 10 0 DCAERN CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(O)cc1)C(=O)N(C)C ZINC000729711947 662907611 /nfs/dbraw/zinc/90/76/11/662907611.db2.gz AXMDOVMERDKACZ-CQSZACIVSA-N 0 0 322.361 0.778 10 0 DCAERN C[C@@H](O)[C@@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000344915050 663080775 /nfs/dbraw/zinc/08/07/75/663080775.db2.gz HNDIWOFZPHPEQH-RKDXNWHRSA-N 0 0 307.393 0.138 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](C)[C@H](C)O ZINC000344957662 663081561 /nfs/dbraw/zinc/08/15/61/663081561.db2.gz UCFZUVGSHWWCNF-SFYZADRCSA-N 0 0 305.327 0.660 10 0 DCAERN O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000900251986 663229703 /nfs/dbraw/zinc/22/97/03/663229703.db2.gz PBHVPCSQUXLANQ-XJFOESAGSA-N 0 0 306.366 0.758 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)[C@@H](O)C(C)(C)O)CC2)cn1 ZINC000900596198 663259047 /nfs/dbraw/zinc/25/90/47/663259047.db2.gz FKVGNOSYMFVBNU-CQSZACIVSA-N 0 0 324.425 0.069 10 0 DCAERN COC(=O)CN(CC(=O)OC)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000435682112 663297132 /nfs/dbraw/zinc/29/71/32/663297132.db2.gz MMPZSWISRHUTHO-UHFFFAOYSA-N 0 0 320.305 0.055 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CCCC[C@H]2CO)C1=O ZINC000901093252 663317241 /nfs/dbraw/zinc/31/72/41/663317241.db2.gz CCPNVSFIAGHBBY-QWHCGFSZSA-N 0 0 308.378 0.749 10 0 DCAERN CNC(=O)Cn1cc(NCc2nc(Br)c[nH]2)cn1 ZINC000311069521 663388436 /nfs/dbraw/zinc/38/84/36/663388436.db2.gz LMDPJFJWAQZTFJ-UHFFFAOYSA-N 0 0 313.159 0.727 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436587578 663510518 /nfs/dbraw/zinc/51/05/18/663510518.db2.gz PMCXCWOIZZGNRL-SECBINFHSA-N 0 0 321.333 0.655 10 0 DCAERN Cn1cnc2c1CCN(C(=O)c1cccc3nc(CO)[nH]c31)C2 ZINC000906491385 663618091 /nfs/dbraw/zinc/61/80/91/663618091.db2.gz UDCUHELYWVYKJS-UHFFFAOYSA-N 0 0 311.345 0.987 10 0 DCAERN C/C=C/[C@H](O)C(=O)N1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000908104809 663733807 /nfs/dbraw/zinc/73/38/07/663733807.db2.gz VNLRDJOZNDUOMR-PINBIDLJSA-N 0 0 307.394 0.935 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c(O)c1 ZINC000909158385 663782542 /nfs/dbraw/zinc/78/25/42/663782542.db2.gz BRSLEZYVEAUQDL-MRVWCRGKSA-N 0 0 303.318 0.702 10 0 DCAERN Cc1nnc(COC2CN(C(=O)c3ncccc3N(C)C)C2)o1 ZINC000911410218 664049799 /nfs/dbraw/zinc/04/97/99/664049799.db2.gz WRHQFAOOLGUJMW-UHFFFAOYSA-N 0 0 317.349 0.880 10 0 DCAERN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCOC[C@H]1CO ZINC000912421387 664174090 /nfs/dbraw/zinc/17/40/90/664174090.db2.gz JGYJWYWUJGGLQS-SNVBAGLBSA-N 0 0 322.752 0.754 10 0 DCAERN Cc1nc(Cl)ccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000156577959 664371961 /nfs/dbraw/zinc/37/19/61/664371961.db2.gz MKLHYXDHUMGKNL-UHFFFAOYSA-N 0 0 308.725 0.693 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000733961016 666832176 /nfs/dbraw/zinc/83/21/76/666832176.db2.gz QAYULKCRHYRLDC-ZPWHCFADSA-N 0 0 314.329 0.282 10 0 DCAERN COC(=O)CNC(=O)CCn1ncc2c1c(C)nn2C(C)C ZINC000223891560 664425935 /nfs/dbraw/zinc/42/59/35/664425935.db2.gz OCHAAYPEKIEJRK-UHFFFAOYSA-N 0 0 307.354 0.801 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCCC1CCCC1 ZINC000225340567 664473139 /nfs/dbraw/zinc/47/31/39/664473139.db2.gz JMEKZLYKIOPGTG-ZDUSSCGKSA-N 0 0 302.440 0.850 10 0 DCAERN CCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1Cl ZINC000157531974 664477340 /nfs/dbraw/zinc/47/73/40/664477340.db2.gz CLFVRTILILYWTI-VXNVDRBHSA-N 0 0 314.773 0.580 10 0 DCAERN CCOc1nccnc1NCC[C@@H]1CNCCS1(=O)=O ZINC000721734198 664522079 /nfs/dbraw/zinc/52/20/79/664522079.db2.gz NIOOETWQHWQXFV-SNVBAGLBSA-N 0 0 300.384 0.064 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC2CCC(O)CC2)c1Cl ZINC000227681123 664537031 /nfs/dbraw/zinc/53/70/31/664537031.db2.gz JALQSDZWISADDN-UHFFFAOYSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H]1CNC(=O)C1 ZINC000171045960 664601550 /nfs/dbraw/zinc/60/15/50/664601550.db2.gz RQTHVHLHAQBEJE-JQWIXIFHSA-N 0 0 302.330 0.644 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@H](Cc3noc(C)n3)C2)nn1 ZINC000171357597 664607605 /nfs/dbraw/zinc/60/76/05/664607605.db2.gz OOCSPFLYJQBLKN-LLVKDONJSA-N 0 0 320.353 0.668 10 0 DCAERN CCOCCS(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000171417524 664608352 /nfs/dbraw/zinc/60/83/52/664608352.db2.gz HXLZLFRXMRUSSY-UHFFFAOYSA-N 0 0 310.379 0.723 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@H]2COC(=O)N2C)CC1 ZINC000062633549 664622030 /nfs/dbraw/zinc/62/20/30/664622030.db2.gz SWLWEVPBMDSUIB-CYBMUJFWSA-N 0 0 319.361 0.794 10 0 DCAERN CC(C)C[C@@H]1CC(=O)N(CN2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000174078248 664635335 /nfs/dbraw/zinc/63/53/35/664635335.db2.gz IFDXJNUVSUSACS-CHWSQXEVSA-N 0 0 302.440 0.957 10 0 DCAERN CN(C)c1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)cc1 ZINC000174261938 664638174 /nfs/dbraw/zinc/63/81/74/664638174.db2.gz VIFGCXZFRCFRKE-UHFFFAOYSA-N 0 0 319.409 0.506 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N[C@@H](C)C(C)C ZINC000730305471 664681374 /nfs/dbraw/zinc/68/13/74/664681374.db2.gz NLMLOYVKYLMOFE-GXSJLCMTSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(O)cc1 ZINC000730311053 664683744 /nfs/dbraw/zinc/68/37/44/664683744.db2.gz KSBSNYNKLCDBFD-LBPRGKRZSA-N 0 0 324.358 0.795 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@](O)(CO)C1 ZINC000314318709 664752299 /nfs/dbraw/zinc/75/22/99/664752299.db2.gz DXVBUCOILLXVKV-NSHDSACASA-N 0 0 306.771 0.243 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CN3CCOC3=S)CCO2)n1 ZINC000152871581 664777448 /nfs/dbraw/zinc/77/74/48/664777448.db2.gz YFJKBGRYBGAOJB-ZDUSSCGKSA-N 0 0 310.423 0.775 10 0 DCAERN COC(=O)c1cn(CN2CCc3c(nc(C(C)C)n3C)C2)nn1 ZINC000153027132 664787491 /nfs/dbraw/zinc/78/74/91/664787491.db2.gz NZYPWVKPQGUJEP-UHFFFAOYSA-N 0 0 318.381 0.937 10 0 DCAERN COC(=O)c1ncn(CN2CCc3c(nc(C(C)C)n3C)C2)n1 ZINC000153039998 664788250 /nfs/dbraw/zinc/78/82/50/664788250.db2.gz VGIGDOAYQJFQGG-UHFFFAOYSA-N 0 0 318.381 0.937 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1=COCCC1)C(=O)OC ZINC000730850615 664820713 /nfs/dbraw/zinc/82/07/13/664820713.db2.gz BTLCQBBCQIRDEJ-ZWNOBZJWSA-N 0 0 313.350 0.928 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000741421850 664838454 /nfs/dbraw/zinc/83/84/54/664838454.db2.gz RFEQTRHOSLNYBD-ASSNKEHSSA-N 0 0 317.455 0.261 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000399087803 1157528722 /nfs/dbraw/zinc/52/87/22/1157528722.db2.gz VSYKBFRWRWWFIQ-VIFPVBQESA-N 0 0 300.355 0.881 10 0 DCAERN COC[C@@H](C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182434 665315632 /nfs/dbraw/zinc/31/56/32/665315632.db2.gz QHIVXIPFSAVEAT-CYBMUJFWSA-N 0 0 312.410 0.756 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CSC(=O)N1 ZINC000175455363 665324976 /nfs/dbraw/zinc/32/49/76/665324976.db2.gz TUNNSAJTAHRGEC-SECBINFHSA-N 0 0 306.347 0.271 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071188959 666026709 /nfs/dbraw/zinc/02/67/09/666026709.db2.gz HAOZXEITHVTAST-JTQLQIEISA-N 0 0 316.379 0.858 10 0 DCAERN COCCn1cnn(CN2CCO[C@]3(CCOC3)C2)c1=S ZINC000184267331 666193272 /nfs/dbraw/zinc/19/32/72/666193272.db2.gz RKMGBPCTEYAQTJ-CYBMUJFWSA-N 0 0 314.411 0.509 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2cncs2)c(=O)n(C)c1=O ZINC000184635132 666246016 /nfs/dbraw/zinc/24/60/16/666246016.db2.gz CVOOFXSUSSVBSV-ONEGZZNKSA-N 0 0 307.331 0.297 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000184681780 666256260 /nfs/dbraw/zinc/25/62/60/666256260.db2.gz RIXGTISBSGPIBA-KGLIPLIRSA-N 0 0 306.362 0.474 10 0 DCAERN C#CCCCNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000184743575 666269175 /nfs/dbraw/zinc/26/91/75/666269175.db2.gz BSXDZWJTEBKEKQ-LLVKDONJSA-N 0 0 319.386 0.643 10 0 DCAERN CC(C)C[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000184891370 666301688 /nfs/dbraw/zinc/30/16/88/666301688.db2.gz HXFPIDKCYHLIEL-NEPJUHHUSA-N 0 0 314.407 0.634 10 0 DCAERN C[C@H]1CN(C(=O)NCCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000185009874 666318678 /nfs/dbraw/zinc/31/86/78/666318678.db2.gz PNXBTACBWQDTJW-ZFWWWQNUSA-N 0 0 321.425 0.325 10 0 DCAERN CC1(CCNC(=O)N2CC[C@](O)(C(F)(F)F)C2)OCCO1 ZINC000186074492 666667166 /nfs/dbraw/zinc/66/71/66/666667166.db2.gz GCUPHCFADFFHBD-LLVKDONJSA-N 0 0 312.288 0.848 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)c1 ZINC000186103941 666679767 /nfs/dbraw/zinc/67/97/67/666679767.db2.gz ATIXSEDVNQAHPO-KGLIPLIRSA-N 0 0 314.345 0.912 10 0 DCAERN CN(C)c1cc(C(=O)OCc2nc(N)nc(N)n2)cc(Cl)n1 ZINC000733575785 666767937 /nfs/dbraw/zinc/76/79/37/666767937.db2.gz WITWUESAGPQWHZ-UHFFFAOYSA-N 0 0 323.744 0.507 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000733882245 666823641 /nfs/dbraw/zinc/82/36/41/666823641.db2.gz LAUKAIWNNOJNHY-OAQYLSRUSA-N 0 0 324.324 0.752 10 0 DCAERN CCCCC(=O)N1CSC[C@H]1C(=O)NCC[S@](=O)CC ZINC000733959912 666832258 /nfs/dbraw/zinc/83/22/58/666832258.db2.gz PFMGXKPYJYXMCC-PRWKNARSSA-N 0 0 320.480 0.963 10 0 DCAERN O=C(CCC(=O)N1CCOc2ccccc21)NN1CCOCC1 ZINC000734243377 666859651 /nfs/dbraw/zinc/85/96/51/666859651.db2.gz IKCWDEZXQBZODH-UHFFFAOYSA-N 0 0 319.361 0.556 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1nnc2n1CCCCC2 ZINC000735089803 666949695 /nfs/dbraw/zinc/94/96/95/666949695.db2.gz FFVBVKQNJNIWLC-NRFANRHFSA-N 0 0 313.427 0.572 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000735091024 666949963 /nfs/dbraw/zinc/94/99/63/666949963.db2.gz HKAVVDVWUCSHKM-QFIPXVFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000735112289 666954524 /nfs/dbraw/zinc/95/45/24/666954524.db2.gz UAWRCSKAGAUWCA-ODXCJYRJSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)c1cccc(OC)c1 ZINC000735110911 666954651 /nfs/dbraw/zinc/95/46/51/666954651.db2.gz OPAIVLASRAYRPW-LRTDBIEQSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC000735116521 666955941 /nfs/dbraw/zinc/95/59/41/666955941.db2.gz OFBBMCDFBXUEAV-MQJDWESPSA-N 0 0 319.471 0.994 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000735197617 666966436 /nfs/dbraw/zinc/96/64/36/666966436.db2.gz FMPZXQBLJCVRTG-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(F)ccc1C ZINC000735200924 666968582 /nfs/dbraw/zinc/96/85/82/666968582.db2.gz SZDJDVQCLQIWSZ-HXUWFJFHSA-N 0 0 300.355 0.957 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000702818791 666999951 /nfs/dbraw/zinc/99/99/51/666999951.db2.gz ZIKWZBFRTUHFRT-CMPLNLGQSA-N 0 0 309.366 0.972 10 0 DCAERN O=S(=O)(NC1COCCOC1)c1ccc(Cl)nc1F ZINC000703021824 667031081 /nfs/dbraw/zinc/03/10/81/667031081.db2.gz DEKIDXBFRIDQKP-UHFFFAOYSA-N 0 0 310.734 0.568 10 0 DCAERN Cc1ccn2ncc(C(=O)OC[C@@H]3CCCN3C(N)=O)c2n1 ZINC000118901915 667039386 /nfs/dbraw/zinc/03/93/86/667039386.db2.gz HDUSLSQNQMMDEG-JTQLQIEISA-N 0 0 303.322 0.738 10 0 DCAERN CCOC[C@@H]1CN(S(=O)(=O)c2cccnc2F)CCO1 ZINC000705811650 667372309 /nfs/dbraw/zinc/37/23/09/667372309.db2.gz QZZIHLLKQJMQTK-JTQLQIEISA-N 0 0 304.343 0.647 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cnccn2)[C@H](O)C1 ZINC000705781492 667375818 /nfs/dbraw/zinc/37/58/18/667375818.db2.gz XDLPXOVMTIJLOT-ZYHUDNBSSA-N 0 0 322.365 0.434 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1csc(Br)n1 ZINC000707049375 667430870 /nfs/dbraw/zinc/43/08/70/667430870.db2.gz RKGCNLBJFGKUKU-CAHLUQPWSA-N 0 0 307.169 0.785 10 0 DCAERN COC(=O)[C@@H](NC(=O)c1nscc1Br)[C@@H](C)O ZINC000707761182 667441688 /nfs/dbraw/zinc/44/16/88/667441688.db2.gz GFYBBUQXOIIEOC-XINAWCOVSA-N 0 0 323.168 0.558 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221558 667442352 /nfs/dbraw/zinc/44/23/52/667442352.db2.gz ODBUWRHDYPGGBE-NXEZZACHSA-N 0 0 302.396 0.414 10 0 DCAERN CCOC(=O)c1ncc(CN(C)CCS(C)(=O)=O)s1 ZINC000711418324 667463994 /nfs/dbraw/zinc/46/39/94/667463994.db2.gz WUFVMLIAOHYKNG-UHFFFAOYSA-N 0 0 306.409 0.796 10 0 DCAERN C[C@@H](O)c1ccn(CC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000133790133 667479976 /nfs/dbraw/zinc/47/99/76/667479976.db2.gz UBHFXMLXFYYPNW-SNVBAGLBSA-N 0 0 303.318 0.982 10 0 DCAERN O=C(CC/C=C/c1ccccc1)OCC(=O)N1CCNC(=O)C1 ZINC000738678679 667681171 /nfs/dbraw/zinc/68/11/71/667681171.db2.gz RFLSVNACTQHOFR-XBXARRHUSA-N 0 0 316.357 0.982 10 0 DCAERN CC(=O)N1CCO[C@@H]2CCN(Cc3ncc(Cl)n3C)C[C@@H]21 ZINC000886045014 667726749 /nfs/dbraw/zinc/72/67/49/667726749.db2.gz XDTIZOZGQUBADE-NWDGAFQWSA-N 0 0 312.801 0.895 10 0 DCAERN CCn1nc(C)c(CNC(=O)CN2CCCC[C@@H](OC)C2=O)n1 ZINC000886078520 667729448 /nfs/dbraw/zinc/72/94/48/667729448.db2.gz ZIBQNHVAASGERT-CYBMUJFWSA-N 0 0 323.397 0.250 10 0 DCAERN Cc1c([C@H]2CN(c3ncc(C)cn3)C[C@@H]2C(N)=O)cnn1C ZINC000886080517 667729780 /nfs/dbraw/zinc/72/97/80/667729780.db2.gz WUDLNWSXOHPBKY-OLZOCXBDSA-N 0 0 300.366 0.532 10 0 DCAERN C/C(=C\C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096911 667731564 /nfs/dbraw/zinc/73/15/64/667731564.db2.gz OBELPBRGIDRZKE-YBHKSSGVSA-N 0 0 308.378 0.731 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@@H](O)[C@H](C)O ZINC000717384556 667743438 /nfs/dbraw/zinc/74/34/38/667743438.db2.gz JCXIRLKFHQTTBA-OIBJUYFYSA-N 0 0 305.172 0.742 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@H](O)[C@H](C)O ZINC000717384558 667743711 /nfs/dbraw/zinc/74/37/11/667743711.db2.gz JCXIRLKFHQTTBA-XVKPBYJWSA-N 0 0 305.172 0.742 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000741322838 667767570 /nfs/dbraw/zinc/76/75/70/667767570.db2.gz WQQNBXJGOFYCJS-RYUDHWBXSA-N 0 0 303.380 0.647 10 0 DCAERN O=C(OC[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000123454600 667787182 /nfs/dbraw/zinc/78/71/82/667787182.db2.gz UZXDARSVIOKTTE-RYUDHWBXSA-N 0 0 302.330 0.719 10 0 DCAERN CC(C)c1cnc(CN2C(=O)N(CC(N)=O)C(C)(C)C2=O)o1 ZINC000742358687 667790036 /nfs/dbraw/zinc/79/00/36/667790036.db2.gz NHUSSDJKSOGVCF-UHFFFAOYSA-N 0 0 308.338 0.826 10 0 DCAERN CS[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300657517 667888345 /nfs/dbraw/zinc/88/83/45/667888345.db2.gz IPVWEPLGXZXIBI-GRYCIOLGSA-N 0 0 320.480 0.554 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)no1 ZINC000124880994 668159043 /nfs/dbraw/zinc/15/90/43/668159043.db2.gz DLSHYCXZHCPWCS-VIFPVBQESA-N 0 0 313.317 0.906 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000125629077 668385240 /nfs/dbraw/zinc/38/52/40/668385240.db2.gz ZMSZXLJCIRGJGE-CQSZACIVSA-N 0 0 301.346 0.896 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126497861 668614855 /nfs/dbraw/zinc/61/48/55/668614855.db2.gz QAHDDZVJFUTJIL-ZDUSSCGKSA-N 0 0 314.382 0.561 10 0 DCAERN C[C@@H](Cc1ccsc1)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126688546 668645907 /nfs/dbraw/zinc/64/59/07/668645907.db2.gz VBCJSALBLCRCMS-CMPLNLGQSA-N 0 0 316.448 0.572 10 0 DCAERN CC1(C)CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126812532 668665014 /nfs/dbraw/zinc/66/50/14/668665014.db2.gz DYORGEIMRAXAJS-GFCCVEGCSA-N 0 0 302.440 0.802 10 0 DCAERN C[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000929384409 668681586 /nfs/dbraw/zinc/68/15/86/668681586.db2.gz YHBVOEHOGJNLOW-GXSJLCMTSA-N 0 0 318.329 0.688 10 0 DCAERN Cc1ccc(N2CCCN(C[C@H]3CCCS3(=O)=O)CC2)nn1 ZINC000929535432 668700135 /nfs/dbraw/zinc/70/01/35/668700135.db2.gz KUTJIEHYNJTIJN-CQSZACIVSA-N 0 0 324.450 0.874 10 0 DCAERN CCn1c(C)nnc1CN1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229392 669162290 /nfs/dbraw/zinc/16/22/90/669162290.db2.gz SKCCTHPXFZWKKT-LLVKDONJSA-N 0 0 301.416 0.249 10 0 DCAERN Cc1nc(C(=O)NCC(=O)OC2CCCCC2)c(=O)[nH]c1C ZINC000130409511 669619110 /nfs/dbraw/zinc/61/91/10/669619110.db2.gz DYTADXPAYLWGBL-UHFFFAOYSA-N 0 0 307.350 0.992 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000131478936 669670903 /nfs/dbraw/zinc/67/09/03/669670903.db2.gz YUBLSZASSGTULR-YPMHNXCESA-N 0 0 314.432 0.993 10 0 DCAERN Cn1cc([C@@H]2CCCN2Cn2nnc3c(cnn3C)c2=O)cn1 ZINC000132569762 669732507 /nfs/dbraw/zinc/73/25/07/669732507.db2.gz TYIPGEGEDYUUNL-LBPRGKRZSA-N 0 0 314.353 0.053 10 0 DCAERN CCN(C(C)=O)c1nc(CNCCNS(C)(=O)=O)cs1 ZINC000036908406 1157925655 /nfs/dbraw/zinc/92/56/55/1157925655.db2.gz RFXSGABCVSPWBP-UHFFFAOYSA-N 0 0 320.440 0.155 10 0 DCAERN CC1(C)CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCS1 ZINC000158737310 669928463 /nfs/dbraw/zinc/92/84/63/669928463.db2.gz HZRVVKRAVRPKON-SNVBAGLBSA-N 0 0 306.453 0.117 10 0 DCAERN O=C(COC(=O)c1noc2c1CCCCC2)N1CCOCC1 ZINC000158904078 669930675 /nfs/dbraw/zinc/93/06/75/669930675.db2.gz CTXGOZQCASTSDG-UHFFFAOYSA-N 0 0 308.334 0.959 10 0 DCAERN CCS(=O)(=O)NCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000075470660 670013462 /nfs/dbraw/zinc/01/34/62/670013462.db2.gz JKBMFZQFOYCATB-DHZHZOJOSA-N 0 0 318.420 0.516 10 0 DCAERN O=c1c2ccccc2nnn1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000191421498 670021460 /nfs/dbraw/zinc/02/14/60/670021460.db2.gz DAAJWNGGZCKNCM-LBPRGKRZSA-N 0 0 314.267 0.748 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)N(C)C)CC2=O)cc1 ZINC000078476404 670048108 /nfs/dbraw/zinc/04/81/08/670048108.db2.gz NQPXUIBMOHTACF-ZDUSSCGKSA-N 0 0 317.389 0.895 10 0 DCAERN CCN1CCO[C@H](C(=O)NNC(=O)NCc2ccccc2)C1 ZINC000189093097 670087832 /nfs/dbraw/zinc/08/78/32/670087832.db2.gz IRIGDTBRIVULQF-ZDUSSCGKSA-N 0 0 306.366 0.238 10 0 DCAERN COCCN1CCCN(Cn2ncsc2=S)CC1=O ZINC000189298018 670108593 /nfs/dbraw/zinc/10/85/93/670108593.db2.gz KNOUNCRQFLCCNK-UHFFFAOYSA-N 0 0 302.425 0.812 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712428374 670148847 /nfs/dbraw/zinc/14/88/47/670148847.db2.gz FBGMVWKYUQNTBS-SDDRHHMPSA-N 0 0 304.412 0.894 10 0 DCAERN CC(C)(C)NC(=O)CSc1nnc(C2CCOCC2)n1N ZINC000079038604 670154177 /nfs/dbraw/zinc/15/41/77/670154177.db2.gz BPJISGBFHRFGJP-UHFFFAOYSA-N 0 0 313.427 0.893 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cn(C)nc2Br)CCO1 ZINC000713823487 670169954 /nfs/dbraw/zinc/16/99/54/670169954.db2.gz YMNVYLPVITXZIW-VIFPVBQESA-N 0 0 318.171 0.556 10 0 DCAERN CNC(=O)[C@@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713826904 670170240 /nfs/dbraw/zinc/17/02/40/670170240.db2.gz DZTCCYNDMCRZBE-MRVPVSSYSA-N 0 0 301.188 0.751 10 0 DCAERN C[C@H]1CN(Cc2cn(C)nc2Br)CCS1(=O)=O ZINC000713857922 670171336 /nfs/dbraw/zinc/17/13/36/670171336.db2.gz CFGDYGQUSPYKRJ-QMMMGPOBSA-N 0 0 322.228 0.802 10 0 DCAERN Cn1cc(CN2C[C@H](O)C[C@]2(C)CO)c(Br)n1 ZINC000714096332 670178034 /nfs/dbraw/zinc/17/80/34/670178034.db2.gz LBWISHYDSIUGBM-MWLCHTKSSA-N 0 0 304.188 0.500 10 0 DCAERN Cn1ncc(Br)c1CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714247390 670182356 /nfs/dbraw/zinc/18/23/56/670182356.db2.gz HJJXQDZSNSPLDJ-ZKCHVHJHSA-N 0 0 322.228 0.848 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cncc(Br)c2)C1 ZINC000714457407 670188627 /nfs/dbraw/zinc/18/86/27/670188627.db2.gz JLDPBQCNSVAHLK-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000714472629 670189776 /nfs/dbraw/zinc/18/97/76/670189776.db2.gz NNSFEZLZHLRCJP-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN COC(=O)[C@@H](CO)NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036818052 670197525 /nfs/dbraw/zinc/19/75/25/670197525.db2.gz AZOHESWTZINWRJ-XUIVZRPNSA-N 0 0 319.766 0.764 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@@H](C)CC2(C)OCCO2)nn1 ZINC000715951964 670226385 /nfs/dbraw/zinc/22/63/85/670226385.db2.gz PTUGKEICPHPHDZ-JTQLQIEISA-N 0 0 315.395 0.853 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@H]1CCCCC12OCCO2 ZINC000716018493 670226932 /nfs/dbraw/zinc/22/69/32/670226932.db2.gz XKGASNKFYJGGBX-LBPRGKRZSA-N 0 0 323.411 0.253 10 0 DCAERN C[C@H]1CNCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000193359965 670270496 /nfs/dbraw/zinc/27/04/96/670270496.db2.gz OPJIDTYEMZUJJR-VIFPVBQESA-N 0 0 314.798 0.970 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000716858088 670270963 /nfs/dbraw/zinc/27/09/63/670270963.db2.gz XBZZTIKRKPXHAQ-CMPLNLGQSA-N 0 0 306.428 0.324 10 0 DCAERN CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081450441 670435676 /nfs/dbraw/zinc/43/56/76/670435676.db2.gz FLVYQJFOXCHNDF-JTQLQIEISA-N 0 0 311.386 0.985 10 0 DCAERN Cc1c(C(=O)OCCc2c(C)nc3[nH]cnn3c2=O)ccn1C ZINC000194859692 670459460 /nfs/dbraw/zinc/45/94/60/670459460.db2.gz XLVNSIXUUZRVPH-UHFFFAOYSA-N 0 0 315.333 0.772 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OC[C@H]1CCC(C)(C)O1)c2=O ZINC000190609792 670466192 /nfs/dbraw/zinc/46/61/92/670466192.db2.gz ZYQDZHUVFLZWMG-SNVBAGLBSA-N 0 0 320.349 0.631 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)OCC(=O)C1CC1 ZINC000109369023 670918895 /nfs/dbraw/zinc/91/88/95/670918895.db2.gz JXLVMWCOGIWJMU-UHFFFAOYSA-N 0 0 301.302 0.704 10 0 DCAERN CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000116755199 671113741 /nfs/dbraw/zinc/11/37/41/671113741.db2.gz SCVBQSFVVBWIDI-GFCCVEGCSA-N 0 0 314.345 0.832 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)C[C@H]2CCC3(CCC3)O2)C1 ZINC000716949590 671779926 /nfs/dbraw/zinc/77/99/26/671779926.db2.gz ZVHISVSUDIVWIX-MNOVXSKESA-N 0 0 302.396 0.368 10 0 DCAERN CN(CCCO)S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000395908885 685269505 /nfs/dbraw/zinc/26/95/05/685269505.db2.gz PAUSPSZUNIMZIE-GOSISDBHSA-N 0 0 306.409 0.702 10 0 DCAERN COC[C@H](OC)C(=O)NCc1cn(C)nc1Br ZINC000720079910 685311507 /nfs/dbraw/zinc/31/15/07/685311507.db2.gz IXGPYXYZVGJIPS-QMMMGPOBSA-N 0 0 306.160 0.460 10 0 DCAERN C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720482223 685313387 /nfs/dbraw/zinc/31/33/87/685313387.db2.gz KAOVKXMMABNUDW-GMTAPVOTSA-N 0 0 301.412 0.681 10 0 DCAERN CO[C@]1(CN[C@H](C)C(=O)OC(C)(C)C)CCS(=O)(=O)C1 ZINC000720874918 685316537 /nfs/dbraw/zinc/31/65/37/685316537.db2.gz QRHLLOBKSRKRKR-MFKMUULPSA-N 0 0 307.412 0.510 10 0 DCAERN CO[C@@]1(CNc2cnn(C)c(=O)c2Cl)CCS(=O)(=O)C1 ZINC000721218493 685318188 /nfs/dbraw/zinc/31/81/88/685318188.db2.gz JDSPFMPAMFEBCL-LLVKDONJSA-N 0 0 321.786 0.049 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000055199701 685061793 /nfs/dbraw/zinc/06/17/93/685061793.db2.gz XKZMVUOJDIEXTL-UHFFFAOYSA-N 0 0 320.374 0.450 10 0 DCAERN C[C@H](NC(=O)NCCCn1cccn1)C(=O)N1CCCCC1 ZINC000069422209 685073066 /nfs/dbraw/zinc/07/30/66/685073066.db2.gz RKZRFNABHZZLCN-ZDUSSCGKSA-N 0 0 307.398 0.973 10 0 DCAERN COCCOC1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000080372743 685082129 /nfs/dbraw/zinc/08/21/29/685082129.db2.gz CBBYLCYVPRKTPQ-UHFFFAOYSA-N 0 0 319.365 0.157 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)c1cc(C(N)=O)cn1C ZINC000088375659 685092339 /nfs/dbraw/zinc/09/23/39/685092339.db2.gz WQBKOEJATQPNSX-CQSZACIVSA-N 0 0 301.346 0.896 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC(O)(C(C)C)C2)cc1 ZINC000089665945 685101137 /nfs/dbraw/zinc/10/11/37/685101137.db2.gz RPPBSQMGSXULRX-UHFFFAOYSA-N 0 0 312.391 0.438 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC(=O)OCC3CC3)cnc12 ZINC000091042892 685102915 /nfs/dbraw/zinc/10/29/15/685102915.db2.gz LNWYDKJUQKCVLT-UHFFFAOYSA-N 0 0 315.329 0.686 10 0 DCAERN COc1ccc(Br)c(C(=O)NCCNC(N)=O)c1 ZINC000096726605 685112309 /nfs/dbraw/zinc/11/23/09/685112309.db2.gz REIZGCNFOJQHCB-UHFFFAOYSA-N 0 0 316.155 0.856 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCC2(C)COC2)ccc1F ZINC000177477596 685146789 /nfs/dbraw/zinc/14/67/89/685146789.db2.gz SOORHHCIAYFWFR-UHFFFAOYSA-N 0 0 316.354 0.500 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245666480 685157861 /nfs/dbraw/zinc/15/78/61/685157861.db2.gz BJVCTIDQLWOZEJ-JHJVBQTASA-N 0 0 305.378 0.496 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@H](Oc3cccnc3)C2)CCO1 ZINC000246636707 685165549 /nfs/dbraw/zinc/16/55/49/685165549.db2.gz KPBRFDBSIOQQJI-UKRRQHHQSA-N 0 0 305.378 0.782 10 0 DCAERN COC[C@]1(C)NC(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000247028060 685168884 /nfs/dbraw/zinc/16/88/84/685168884.db2.gz NFMUVMNKHZMPKX-ABAIWWIYSA-N 0 0 321.381 0.124 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](C(F)F)C2)ncn1 ZINC000249280601 685178923 /nfs/dbraw/zinc/17/89/23/685178923.db2.gz MNWQJKYCTOKBBF-WDEREUQCSA-N 0 0 314.336 0.908 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)[C@@H]1C ZINC000251846944 685185775 /nfs/dbraw/zinc/18/57/75/685185775.db2.gz OQLZBNKTPNSHIW-NDBYEHHHSA-N 0 0 302.440 0.704 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]2C ZINC000364150220 685222068 /nfs/dbraw/zinc/22/20/68/685222068.db2.gz XXZBICWBHIWCJX-QWRGUYRKSA-N 0 0 305.382 0.783 10 0 DCAERN CN([C@@H]1CN2CCC1CC2)S(=O)(=O)c1ncn(C)c1Cl ZINC000380999096 685238313 /nfs/dbraw/zinc/23/83/13/685238313.db2.gz JYLFLOHXRUSRGX-SNVBAGLBSA-N 0 0 318.830 0.788 10 0 DCAERN N#Cc1cc(Br)cnc1N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388028831 685253818 /nfs/dbraw/zinc/25/38/18/685253818.db2.gz GNVZXHDMGQIMJC-DTORHVGOSA-N 0 0 321.134 0.425 10 0 DCAERN CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(F)ccc1N ZINC000090921756 1175441587 /nfs/dbraw/zinc/44/15/87/1175441587.db2.gz QPMXFOYBIDQTAV-LLVKDONJSA-N 0 0 318.395 0.968 10 0 DCAERN O=C(NCCNc1ncccc1C(F)(F)F)[C@@H]1CCC(=O)N1 ZINC000064292738 1157432704 /nfs/dbraw/zinc/43/27/04/1157432704.db2.gz LQNJKOWWWXXAFN-VIFPVBQESA-N 0 0 316.283 0.907 10 0 DCAERN COC(CNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)OC ZINC000075241352 1157435784 /nfs/dbraw/zinc/43/57/84/1157435784.db2.gz QPSKJXDSWHQZAN-SECBINFHSA-N 0 0 306.318 0.406 10 0 DCAERN O=C(c1coc(Br)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000529692380 1157734363 /nfs/dbraw/zinc/73/43/63/1157734363.db2.gz QAFDGUXZBIXQMO-IUCAKERBSA-N 0 0 304.140 0.715 10 0 DCAERN O=C(c1coc(Br)c1)N1CC[C@H](O)[C@@H](CO)C1 ZINC000396793597 1157939933 /nfs/dbraw/zinc/93/99/33/1157939933.db2.gz CJIVSPBHSJZBFE-BDAKNGLRSA-N 0 0 304.140 0.857 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000040217174 1157993835 /nfs/dbraw/zinc/99/38/35/1157993835.db2.gz QAFRTFZGUARRAG-UHFFFAOYSA-N 0 0 302.331 0.179 10 0 DCAERN C[C@H]1CCN(C(=O)c2cc(N3CCOCC3)ccn2)C[C@H]1O ZINC000333317189 1158290920 /nfs/dbraw/zinc/29/09/20/1158290920.db2.gz OZXPSRCNYAOBON-SWLSCSKDSA-N 0 0 305.378 0.761 10 0 DCAERN c1cnc2nc(Cc3nc(COC[C@H]4CCOC4)no3)nn2c1 ZINC000348339732 1158881917 /nfs/dbraw/zinc/88/19/17/1158881917.db2.gz KTCMKNJJEUPKBW-JTQLQIEISA-N 0 0 316.321 0.651 10 0 DCAERN CC(=O)c1ccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000044441081 1171567670 /nfs/dbraw/zinc/56/76/70/1171567670.db2.gz MDAVKVTVZIYJTG-UHFFFAOYSA-N 0 0 301.302 0.755 10 0 DCAERN NC(=O)NCCC(=O)NCCNc1ncccc1C(F)(F)F ZINC000063123401 1173067251 /nfs/dbraw/zinc/06/72/51/1173067251.db2.gz YZVWILDBFVMAJX-UHFFFAOYSA-N 0 0 319.287 0.687 10 0 DCAERN CCS(=O)(=O)CC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067334186 1173772053 /nfs/dbraw/zinc/77/20/53/1173772053.db2.gz OMJSEPQBIUAHCC-UHFFFAOYSA-N 0 0 312.391 0.921 10 0 DCAERN CNC(=O)CN(C)C(=O)c1ccc(Br)cc1N ZINC000094042472 1175693789 /nfs/dbraw/zinc/69/37/89/1175693789.db2.gz VFNJNECPXOBPHY-UHFFFAOYSA-N 0 0 300.156 0.849 10 0 DCAERN Cc1oc(C(=O)NCC[C@@H](C)[S@](C)=O)cc1S(N)(=O)=O ZINC000132857360 1177526818 /nfs/dbraw/zinc/52/68/18/1177526818.db2.gz CVYKLXMHKIKZRS-QOLSBQFWSA-N 0 0 322.408 0.122 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@@H]1O ZINC000221788301 1180398636 /nfs/dbraw/zinc/39/86/36/1180398636.db2.gz VLFGXBZRVRPONE-UTUOFQBUSA-N 0 0 304.412 0.030 10 0 DCAERN O=C(CCCn1ccnc1)NCCNC(=O)c1ccccc1O ZINC000155921105 1180556256 /nfs/dbraw/zinc/55/62/56/1180556256.db2.gz LTMPHCLJBTYGTH-UHFFFAOYSA-N 0 0 316.361 0.915 10 0 DCAERN CC(=O)N1CCC(CNC(=O)[C@H](C)NC(=O)c2ccco2)CC1 ZINC000170891797 1183694785 /nfs/dbraw/zinc/69/47/85/1183694785.db2.gz VPPFBJUHMANGAX-NSHDSACASA-N 0 0 321.377 0.773 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000177249268 1184227243 /nfs/dbraw/zinc/22/72/43/1184227243.db2.gz MYDNMSALASWZQI-ONXXMXGDSA-N 0 0 303.362 0.948 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)Cn1nnc2ccccc21 ZINC000177435267 1184228147 /nfs/dbraw/zinc/22/81/47/1184228147.db2.gz SAXCLWHUTRDOIZ-NEPJUHHUSA-N 0 0 304.350 0.742 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)Cn1nnc2ccccc21 ZINC000178937528 1185161184 /nfs/dbraw/zinc/16/11/84/1185161184.db2.gz AZGLBHNOLXFWDT-UHFFFAOYSA-N 0 0 310.379 0.324 10 0 DCAERN CNC(=O)C1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1 ZINC000182466747 1185188028 /nfs/dbraw/zinc/18/80/28/1185188028.db2.gz CRLUVUMGCOJFBP-UHFFFAOYSA-N 0 0 301.350 0.567 10 0 DCAERN Cc1noc([C@H](NC(=O)N2C[C@@H](C)O[C@H](CO)C2)C(C)C)n1 ZINC000189578841 1187936976 /nfs/dbraw/zinc/93/69/76/1187936976.db2.gz KLOHXIZANJQYGJ-ADEWGFFLSA-N 0 0 312.370 0.866 10 0 DCAERN Cc1noc([C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917227 1188106250 /nfs/dbraw/zinc/10/62/50/1188106250.db2.gz DFWFRSGAJAGKHI-WPRPVWTQSA-N 0 0 318.399 0.471 10 0 DCAERN CC(C)[C@H](CO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307892522 1190384552 /nfs/dbraw/zinc/38/45/52/1190384552.db2.gz KVTAOLYQAZOZKH-LBPRGKRZSA-N 0 0 300.380 0.419 10 0 DCAERN C[C@H](O)C[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905399 1190385210 /nfs/dbraw/zinc/38/52/10/1190385210.db2.gz ONVFEMFUFHGCIO-IUCAKERBSA-N 0 0 300.380 0.562 10 0 DCAERN CC[S@@](C)(=O)=NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909135 1190386377 /nfs/dbraw/zinc/38/63/77/1190386377.db2.gz CVFJBAADWAQHOC-GOSISDBHSA-N 0 0 304.393 0.930 10 0 DCAERN CCS(=O)(=O)NCCNc1nc(Cl)nc2nc[nH]c21 ZINC000390345136 1190700680 /nfs/dbraw/zinc/70/06/80/1190700680.db2.gz XCMLSQIQXCEXOK-UHFFFAOYSA-N 0 0 304.763 0.309 10 0 DCAERN C[C@H](O)[C@H]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)C1 ZINC000588411505 747254426 /nfs/dbraw/zinc/25/44/26/747254426.db2.gz WWMICVMRZGSMOK-OBJOEFQTSA-N 0 0 306.410 0.917 10 0 DCAERN C[C@@H]1CC(OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)O1 ZINC000588449067 747308467 /nfs/dbraw/zinc/30/84/67/747308467.db2.gz BCXXJBBEPFCAOM-ADRPCIBZSA-N 0 0 322.361 0.596 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](O)[C@H](C)C1 ZINC000588527862 747408237 /nfs/dbraw/zinc/40/82/37/747408237.db2.gz VTDQXYWQPFTAFF-YRGRVCCFSA-N 0 0 306.410 0.917 10 0 DCAERN CC=CC[C@H]1NC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O ZINC000585672352 748931701 /nfs/dbraw/zinc/93/17/01/748931701.db2.gz ASUFTPODQKTDGX-DLRQAJBASA-N 0 0 315.395 0.297 10 0 DCAERN Nc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O ZINC000094595689 752690030 /nfs/dbraw/zinc/69/00/30/752690030.db2.gz TULNARHPXCOSHN-UHFFFAOYSA-N 0 0 311.285 0.306 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000401804736 768586937 /nfs/dbraw/zinc/58/69/37/768586937.db2.gz BBBBRSJNDVZWRX-SECBINFHSA-N 0 0 314.260 0.909 10 0 DCAERN O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC=C(Br)C1 ZINC000404366523 774130742 /nfs/dbraw/zinc/13/07/42/774130742.db2.gz GVRBYSIWVZPPEB-ZETCQYMHSA-N 0 0 302.128 0.096 10 0 DCAERN CC(=O)N[C@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000380612688 948724250 /nfs/dbraw/zinc/72/42/50/948724250.db2.gz FOUMAILAXAESRX-QMMMGPOBSA-N 0 0 321.761 0.773 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(F)c(Br)cc1N ZINC000385346062 948858770 /nfs/dbraw/zinc/85/87/70/948858770.db2.gz CDKINSICTPBMQL-UHFFFAOYSA-N 0 0 319.134 0.569 10 0 DCAERN CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000699104847 954847028 /nfs/dbraw/zinc/84/70/28/954847028.db2.gz YBISURDCFBAPQN-GFCCVEGCSA-N 0 0 306.428 0.845 10 0 DCAERN C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000823771412 955529475 /nfs/dbraw/zinc/52/94/75/955529475.db2.gz DCLJEJHVQLYBBZ-KBPBESRZSA-N 0 0 319.361 0.715 10 0 DCAERN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000692360922 976432908 /nfs/dbraw/zinc/43/29/08/976432908.db2.gz ZSOLTVQQYQXYOS-AGIUHOORSA-N 0 0 301.408 0.996 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2c(c1)nnn2C ZINC000104276949 290616696 /nfs/dbraw/zinc/61/66/96/290616696.db2.gz AFRWWLSQEVIFHW-GXSJLCMTSA-N 0 0 301.350 0.694 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)[nH]n1 ZINC000078901914 185126088 /nfs/dbraw/zinc/12/60/88/185126088.db2.gz GEOZPGKCNNBUQK-QWRGUYRKSA-N 0 0 314.411 0.362 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCN1C ZINC000328636874 231272808 /nfs/dbraw/zinc/27/28/08/231272808.db2.gz VSTDQOCBHKJVTN-ZDUSSCGKSA-N 0 0 314.393 0.761 10 0 DCAERN COC(=O)CCCNC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181393924 199290371 /nfs/dbraw/zinc/29/03/71/199290371.db2.gz UAVCHDCTYGLWMK-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1ccncc1 ZINC000181459325 199300248 /nfs/dbraw/zinc/30/02/48/199300248.db2.gz SKKWXNNOUZCSCT-CYBMUJFWSA-N 0 0 318.421 0.681 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000186916726 529844837 /nfs/dbraw/zinc/84/48/37/529844837.db2.gz VZBAQSMLOKJHBS-NSHDSACASA-N 0 0 309.753 0.698 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)NCCC2=CCCC2)CCO1 ZINC000275788614 529851767 /nfs/dbraw/zinc/85/17/67/529851767.db2.gz UAQCKXJOFBPCQI-CQSZACIVSA-N 0 0 324.425 0.314 10 0 DCAERN CNC(=O)Cc1nc(CN2CCN(CC(C)C)C(=O)C2)cs1 ZINC000187064079 529874502 /nfs/dbraw/zinc/87/45/02/529874502.db2.gz SNFJECHXXZPJKW-UHFFFAOYSA-N 0 0 324.450 0.732 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCCNc1ccccn1)C(C)C ZINC000178434472 529897002 /nfs/dbraw/zinc/89/70/02/529897002.db2.gz KQWYIXVJARKQRI-ZDUSSCGKSA-N 0 0 307.398 0.953 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000172005290 529902360 /nfs/dbraw/zinc/90/23/60/529902360.db2.gz VFXQWAXMPSSCJR-NSHDSACASA-N 0 0 302.396 0.081 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(C)C ZINC000178412928 529919580 /nfs/dbraw/zinc/91/95/80/529919580.db2.gz VRKAOUDMJFXXGT-QWHCGFSZSA-N 0 0 314.430 0.025 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCc1cn2ccccc2n1)C(C)C ZINC000178422987 529919685 /nfs/dbraw/zinc/91/96/85/529919685.db2.gz JRNVHWSQYOEYGW-CQSZACIVSA-N 0 0 317.393 0.947 10 0 DCAERN CS(=O)(=O)CCCN[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000103375955 185448691 /nfs/dbraw/zinc/44/86/91/185448691.db2.gz VMFJZYYGJSSBNC-LBPRGKRZSA-N 0 0 310.375 0.343 10 0 DCAERN CNS(=O)(=O)CC(=O)NCc1ccccc1OC1CCC1 ZINC000175213733 530014083 /nfs/dbraw/zinc/01/40/83/530014083.db2.gz DJCKUOUBBUZXSE-UHFFFAOYSA-N 0 0 312.391 0.783 10 0 DCAERN CN(Cc1nc(C2CCCC2)no1)C[C@@H](O)CN1CCOCC1 ZINC000155268939 530022439 /nfs/dbraw/zinc/02/24/39/530022439.db2.gz PGMCUWYLYHOCDK-CQSZACIVSA-N 0 0 324.425 0.852 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC[S@]1=O ZINC000408159455 282364476 /nfs/dbraw/zinc/36/44/76/282364476.db2.gz QSIFLPBFSSAMBU-NNOLRYQLSA-N 0 0 316.423 0.169 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@]12CCOC2=O ZINC000187189347 303985825 /nfs/dbraw/zinc/98/58/25/303985825.db2.gz MAPSWNIEBOOSRR-IINYFYTJSA-N 0 0 305.338 0.084 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC(=O)N1C ZINC000282515662 290754737 /nfs/dbraw/zinc/75/47/37/290754737.db2.gz YJVSSKTXHISQOC-PGUXBMHVSA-N 0 0 304.346 0.904 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@]1(O)CCSC1 ZINC000331098362 232530167 /nfs/dbraw/zinc/53/01/67/232530167.db2.gz NGPGQCKAKPZXLH-JFGNBEQYSA-N 0 0 323.436 0.116 10 0 DCAERN CNS(=O)(=O)CCCS(=O)(=O)Cc1cccc(F)c1 ZINC000069848885 190830096 /nfs/dbraw/zinc/83/00/96/190830096.db2.gz NDBRMLMIHNSYAQ-UHFFFAOYSA-N 0 0 309.384 0.680 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000182013938 199374223 /nfs/dbraw/zinc/37/42/23/199374223.db2.gz FFOJXQJCRSOYHZ-IUODEOHRSA-N 0 0 323.441 0.747 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccccc2Cn2cncn2)CCC1=O ZINC000080400229 192155280 /nfs/dbraw/zinc/15/52/80/192155280.db2.gz JTHQJSJHIZBYCY-ZDUSSCGKSA-N 0 0 313.361 0.677 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000083737089 192380687 /nfs/dbraw/zinc/38/06/87/192380687.db2.gz CFUNXXUQLXRCBW-ZYHUDNBSSA-N 0 0 318.381 0.484 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)[nH]1 ZINC000331373194 233217381 /nfs/dbraw/zinc/21/73/81/233217381.db2.gz FLPQZUIFCGELSR-OAHLLOKOSA-N 0 0 303.366 0.890 10 0 DCAERN Cn1nccc1CNC(=O)NCCN1C(=O)Cc2ccccc21 ZINC000171183407 197893337 /nfs/dbraw/zinc/89/33/37/197893337.db2.gz IIFCABLYYHIINK-UHFFFAOYSA-N 0 0 313.361 0.809 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)Cc1ccccc1 ZINC000171487098 186167273 /nfs/dbraw/zinc/16/72/73/186167273.db2.gz GGYYDUDPLYFZIG-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000171308101 197916032 /nfs/dbraw/zinc/91/60/32/197916032.db2.gz UYGSDZAVHXLLSG-UHFFFAOYSA-N 0 0 312.377 0.900 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCCn2ncnc21 ZINC000175707095 186190410 /nfs/dbraw/zinc/19/04/10/186190410.db2.gz PDZIPACRJZLXRL-ZETCQYMHSA-N 0 0 321.259 0.518 10 0 DCAERN CCn1nc(C)c(C(=O)NC[C@@H]2CN(C)CCO2)c1Cl ZINC000173338325 186178342 /nfs/dbraw/zinc/17/83/42/186178342.db2.gz QNUCZCAKMHJNPA-SNVBAGLBSA-N 0 0 300.790 0.925 10 0 DCAERN CCc1nsc(N2CCCN(C(=O)[C@H]3CNC(=O)C3)CC2)n1 ZINC000175684831 186188175 /nfs/dbraw/zinc/18/81/75/186188175.db2.gz IFZOSZFIMUBSME-SNVBAGLBSA-N 0 0 323.422 0.275 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1 ZINC000179686841 186205733 /nfs/dbraw/zinc/20/57/33/186205733.db2.gz DBUCGXATVJILPN-GFCCVEGCSA-N 0 0 312.391 0.487 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000183895061 186228241 /nfs/dbraw/zinc/22/82/41/186228241.db2.gz QVMSFDMPPPVNBC-HNNXBMFYSA-N 0 0 308.382 0.852 10 0 DCAERN Cc1nc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)no1 ZINC000072364005 191133485 /nfs/dbraw/zinc/13/34/85/191133485.db2.gz NBBQLXFIRMDLPQ-SNVBAGLBSA-N 0 0 302.356 0.092 10 0 DCAERN C[C@@H](NC(=O)N1CCO[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000171901612 198005509 /nfs/dbraw/zinc/00/55/09/198005509.db2.gz QFHJRTJRXPKRAJ-NXEZZACHSA-N 0 0 312.395 0.703 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)c1 ZINC000171907380 198006474 /nfs/dbraw/zinc/00/64/74/198006474.db2.gz ULUNYDMBDRVHBI-GJZGRUSLSA-N 0 0 321.425 0.869 10 0 DCAERN Cc1cnc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000172048768 198031146 /nfs/dbraw/zinc/03/11/46/198031146.db2.gz HHARLAZSNUGEBI-QMMMGPOBSA-N 0 0 304.397 0.607 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)N[C@@H]3CCCOC3)CC2)cn1 ZINC000172150671 198047608 /nfs/dbraw/zinc/04/76/08/198047608.db2.gz FZMQPCPJZQYXAG-OAHLLOKOSA-N 0 0 321.425 0.816 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)C(=O)NC1CC1)Cc1ccccc1 ZINC000172205344 198057709 /nfs/dbraw/zinc/05/77/09/198057709.db2.gz QBTOCKUZVRTMGY-ZDUSSCGKSA-N 0 0 318.373 0.803 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCS1(=O)=O ZINC000172375164 198087991 /nfs/dbraw/zinc/08/79/91/198087991.db2.gz RTFJXIBIVRNRNP-TZMCWYRMSA-N 0 0 310.419 0.935 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)CNC(=O)c1ccccn1 ZINC000172403453 198092261 /nfs/dbraw/zinc/09/22/61/198092261.db2.gz UTRJTUCCYQWHIF-UHFFFAOYSA-N 0 0 301.350 0.592 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)nn1 ZINC000172408160 198093360 /nfs/dbraw/zinc/09/33/60/198093360.db2.gz IENDAQOJDDVMLH-JTQLQIEISA-N 0 0 316.365 0.945 10 0 DCAERN CN1CC[C@@H](NC(=O)c2cccc(OCC(F)(F)F)n2)C1=O ZINC000172410638 198093471 /nfs/dbraw/zinc/09/34/71/198093471.db2.gz SWCFYZNIIYLDCH-SECBINFHSA-N 0 0 317.267 0.983 10 0 DCAERN O=C(CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)NC1CC1 ZINC000172700383 198138542 /nfs/dbraw/zinc/13/85/42/198138542.db2.gz CWBVJKWIZQJUCI-OLZOCXBDSA-N 0 0 316.357 0.956 10 0 DCAERN COCc1nc2ncc3c(ccn(NC(=O)C(C)C)c3=O)n2n1 ZINC000072465791 191174409 /nfs/dbraw/zinc/17/44/09/191174409.db2.gz NXSMDENQEDOQRG-UHFFFAOYSA-N 0 0 316.321 0.312 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172714880 198140271 /nfs/dbraw/zinc/14/02/71/198140271.db2.gz NVLWHYFXHLAYCB-SWLSCSKDSA-N 0 0 318.377 0.196 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCOC3)C2=O)n1 ZINC000173187409 198193898 /nfs/dbraw/zinc/19/38/98/198193898.db2.gz JOZWQCRPFJXRAC-NEPJUHHUSA-N 0 0 321.381 0.394 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cn[nH]n2)ncn1 ZINC000173410822 198212568 /nfs/dbraw/zinc/21/25/68/198212568.db2.gz BGXCROJILVMWAM-VIFPVBQESA-N 0 0 302.342 0.035 10 0 DCAERN CN([C@H]1CCCN(C)C1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000173406182 198211328 /nfs/dbraw/zinc/21/13/28/198211328.db2.gz XBKUTXCYPRYEKJ-LBPRGKRZSA-N 0 0 311.407 0.500 10 0 DCAERN CCc1nc(C2(NCCN3C(=O)CNC3=O)CCCC2)no1 ZINC000173692226 198241425 /nfs/dbraw/zinc/24/14/25/198241425.db2.gz CWTXJDUCOIHMCP-UHFFFAOYSA-N 0 0 307.354 0.543 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697191 198241735 /nfs/dbraw/zinc/24/17/35/198241735.db2.gz JDYSBIQXMWRRLN-GFCCVEGCSA-N 0 0 314.349 0.784 10 0 DCAERN CNC(=O)CC1CCN(C(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000080658993 192178544 /nfs/dbraw/zinc/17/85/44/192178544.db2.gz MEKRETHIKDVZMP-UHFFFAOYSA-N 0 0 312.414 0.459 10 0 DCAERN C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1N1CCOCC1 ZINC000173854072 198261516 /nfs/dbraw/zinc/26/15/16/198261516.db2.gz YTUCRNLRUBGYTC-GXTWGEPZSA-N 0 0 305.378 0.178 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173958133 198273276 /nfs/dbraw/zinc/27/32/76/198273276.db2.gz HBKOWKQFIFQFNU-HIFRSBDPSA-N 0 0 317.389 0.804 10 0 DCAERN CCC(CC)c1cc(CNC(=O)CN2CC(=O)NC2=O)on1 ZINC000174039014 198284354 /nfs/dbraw/zinc/28/43/54/198284354.db2.gz GGXCGDITOFZSJR-UHFFFAOYSA-N 0 0 308.338 0.746 10 0 DCAERN COC(=O)CCCCCNC(=O)[C@H]1CCCCS1(=O)=O ZINC000168842258 290985787 /nfs/dbraw/zinc/98/57/87/290985787.db2.gz JEZCDDODCCKLFC-LLVKDONJSA-N 0 0 305.396 0.803 10 0 DCAERN Cc1cc(C)cc(OCCC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000174269445 198312907 /nfs/dbraw/zinc/31/29/07/198312907.db2.gz PUGIBTVOVWVEJL-ZDUSSCGKSA-N 0 0 304.346 0.994 10 0 DCAERN CCN1C(=O)/C(=C/c2cn(C)nc2C)N=C1SCC(N)=O ZINC000002785637 180956938 /nfs/dbraw/zinc/95/69/38/180956938.db2.gz WNPJIHJEOHOHKR-YHYXMXQVSA-N 0 0 307.379 0.506 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(c3nccn(C)c3=O)CC2)n1 ZINC000174740184 198378344 /nfs/dbraw/zinc/37/83/44/198378344.db2.gz JGNIVIXUDDEMAT-LLVKDONJSA-N 0 0 318.381 0.609 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000174852777 198392877 /nfs/dbraw/zinc/39/28/77/198392877.db2.gz OWGZYNMIJXFELD-ONGXEEELSA-N 0 0 300.384 0.401 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000175194591 283048798 /nfs/dbraw/zinc/04/87/98/283048798.db2.gz OJOZHBPNXJWQPO-ZIAGYGMSSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408253056 295899566 /nfs/dbraw/zinc/89/95/66/295899566.db2.gz WOYVMARXGFAYRE-BLLLJJGKSA-N 0 0 322.409 0.309 10 0 DCAERN CCc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000074924201 191388608 /nfs/dbraw/zinc/38/86/08/191388608.db2.gz KLNSEMANBKRZBH-MRVPVSSYSA-N 0 0 309.434 0.776 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000074854046 191372963 /nfs/dbraw/zinc/37/29/63/191372963.db2.gz CIRPSZZUPFQNRY-OCCSQVGLSA-N 0 0 307.398 0.819 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000374567848 295901862 /nfs/dbraw/zinc/90/18/62/295901862.db2.gz GDSHPVMEGWSFEO-UONOGXRCSA-N 0 0 319.409 0.383 10 0 DCAERN CN1CC[C@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@H]2C1 ZINC000408143767 283150226 /nfs/dbraw/zinc/15/02/26/283150226.db2.gz BWAZBCSSXSXZOO-QWRGUYRKSA-N 0 0 312.391 0.849 10 0 DCAERN C[C@@H](NC(=O)NCCn1c(=O)[nH]c2ccccc21)[C@H](C)CO ZINC000177545283 198743629 /nfs/dbraw/zinc/74/36/29/198743629.db2.gz SZCMORPKZHUBFT-GHMZBOCLSA-N 0 0 306.366 0.646 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(Cc2nnc(C)n2C2CC2)C1 ZINC000092843169 545723936 /nfs/dbraw/zinc/72/39/36/545723936.db2.gz BGQZIMIIRDECJB-GFCCVEGCSA-N 0 0 313.427 0.435 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@@H](O)c1ccccc1OC ZINC000178600256 198894224 /nfs/dbraw/zinc/89/42/24/198894224.db2.gz QHLRGPXPQVZTEO-GFCCVEGCSA-N 0 0 302.396 0.905 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000179363029 199021778 /nfs/dbraw/zinc/02/17/78/199021778.db2.gz ZONLLSWMNKETOK-MRVPVSSYSA-N 0 0 305.294 0.394 10 0 DCAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000179424851 199033082 /nfs/dbraw/zinc/03/30/82/199033082.db2.gz RFOGCCQDMIINBJ-GWCFXTLKSA-N 0 0 304.346 0.795 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000179441822 199035969 /nfs/dbraw/zinc/03/59/69/199035969.db2.gz BBACLDVDRGYKNQ-JQWIXIFHSA-N 0 0 309.370 0.302 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cn1 ZINC000179446768 199037079 /nfs/dbraw/zinc/03/70/79/199037079.db2.gz QQOYQWAZPFPGES-ZYHUDNBSSA-N 0 0 309.370 0.302 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@]2(C)CCCC[C@H]2O)cn1 ZINC000179460974 199039236 /nfs/dbraw/zinc/03/92/36/199039236.db2.gz CUDWKQYZEORRLL-DOMZBBRYSA-N 0 0 323.397 0.692 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000170785174 283301409 /nfs/dbraw/zinc/30/14/09/283301409.db2.gz LIHABJANMSJOIK-CYBMUJFWSA-N 0 0 317.389 0.942 10 0 DCAERN CN(C(=O)c1cn(C)cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000179498019 199044987 /nfs/dbraw/zinc/04/49/87/199044987.db2.gz PRASRBUEBZPOKE-LBPRGKRZSA-N 0 0 300.366 0.951 10 0 DCAERN Cn1cnn(CC(=O)N2CCCC[C@@H]2c2nccs2)c1=O ZINC000179523493 199049472 /nfs/dbraw/zinc/04/94/72/199049472.db2.gz KXFFUQUIBFDTAO-SNVBAGLBSA-N 0 0 307.379 0.792 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000179969539 199100481 /nfs/dbraw/zinc/10/04/81/199100481.db2.gz BQVCADAZRPSVTH-SNVBAGLBSA-N 0 0 311.382 0.246 10 0 DCAERN CCCN1CCCN(CC2CCS(=O)(=O)CC2)CC1=O ZINC000365076870 283330385 /nfs/dbraw/zinc/33/03/85/283330385.db2.gz IAVSINBQWHYNIV-UHFFFAOYSA-N 0 0 302.440 0.756 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)NCCCN1CCOCC1 ZINC000180170160 199125909 /nfs/dbraw/zinc/12/59/09/199125909.db2.gz GMKWBKLVMOSCRV-CYBMUJFWSA-N 0 0 309.414 0.845 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000180268793 199139523 /nfs/dbraw/zinc/13/95/23/199139523.db2.gz KFJQJLGLHOPFCY-ZDUSSCGKSA-N 0 0 305.309 0.562 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1F ZINC000180608117 199184230 /nfs/dbraw/zinc/18/42/30/199184230.db2.gz DYIKGFVNFYPDHO-JTQLQIEISA-N 0 0 307.325 0.810 10 0 DCAERN CCCN1c2ccccc2[C@]2(NC(=O)[C@H]3COCCN32)C1=O ZINC000180265918 283356976 /nfs/dbraw/zinc/35/69/76/283356976.db2.gz MYINPAPSGGEJAO-CZUORRHYSA-N 0 0 301.346 0.427 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000180722068 199201513 /nfs/dbraw/zinc/20/15/13/199201513.db2.gz SMKYNODAVUSOII-MEBBXXQBSA-N 0 0 318.373 0.860 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCNC(=O)C2)c(Cl)cc1F ZINC000153840178 237022808 /nfs/dbraw/zinc/02/28/08/237022808.db2.gz RUSOFUQHEZQQKW-UHFFFAOYSA-N 0 0 306.746 0.908 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000153868243 237025904 /nfs/dbraw/zinc/02/59/04/237025904.db2.gz JLZVWGCLYNVTNU-LLVKDONJSA-N 0 0 314.411 0.851 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)[C@H](C)CO1 ZINC000173170500 237155174 /nfs/dbraw/zinc/15/51/74/237155174.db2.gz VNUBVQJBMZTCCU-GHMZBOCLSA-N 0 0 300.384 0.262 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1 ZINC000186834063 200018680 /nfs/dbraw/zinc/01/86/80/200018680.db2.gz SRPHXMRXLHBJIB-KGLIPLIRSA-N 0 0 316.467 0.814 10 0 DCAERN Cc1cn2nc(N3CCC(c4nc(=O)[nH][nH]4)CC3)sc2n1 ZINC000281028841 216031366 /nfs/dbraw/zinc/03/13/66/216031366.db2.gz TZNZEJXPYGJULH-UHFFFAOYSA-N 0 0 305.367 0.895 10 0 DCAERN O=C(NCC1(CCO)CC1)C(=O)N1CCc2c1cccc2F ZINC000186535020 237315319 /nfs/dbraw/zinc/31/53/19/237315319.db2.gz CRJIFWQYSPDHPA-UHFFFAOYSA-N 0 0 306.337 0.994 10 0 DCAERN Cc1cc(C(C)C)nc(N2CCN([C@@H]3CCNC3=O)CC2)n1 ZINC000186879544 237331645 /nfs/dbraw/zinc/33/16/45/237331645.db2.gz NDGFJIVILIJZJS-CQSZACIVSA-N 0 0 303.410 0.919 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2ccc(F)cc2F)CCN1CCO ZINC000187732558 200150427 /nfs/dbraw/zinc/15/04/27/200150427.db2.gz FNSNAMOLVVQQEM-NSHDSACASA-N 0 0 313.348 0.902 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1C ZINC000187830078 200163584 /nfs/dbraw/zinc/16/35/84/200163584.db2.gz YKJBLCZCUHBONA-UKRRQHHQSA-N 0 0 320.389 0.641 10 0 DCAERN CC(C)n1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)cn1 ZINC000188107419 200194981 /nfs/dbraw/zinc/19/49/81/200194981.db2.gz AFDWVAVWPANHBT-HNNXBMFYSA-N 0 0 310.398 0.277 10 0 DCAERN C[C@]1(C(=O)N2CCO[C@@H](c3nccs3)C2)CCC(=O)NC1 ZINC000281096693 216077138 /nfs/dbraw/zinc/07/71/38/216077138.db2.gz ADUVXSNMBIFAFC-YGRLFVJLSA-N 0 0 309.391 0.959 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)c2cn3ccnc3s2)CCO1 ZINC000188520826 200260908 /nfs/dbraw/zinc/26/09/08/200260908.db2.gz VNXYXJCVRPEBDI-JTQLQIEISA-N 0 0 308.363 0.373 10 0 DCAERN CC[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1CC(F)F ZINC000153615903 291207813 /nfs/dbraw/zinc/20/78/13/291207813.db2.gz ZXNGITGJJWUDHA-STQMWFEESA-N 0 0 319.396 0.943 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000153683303 291208056 /nfs/dbraw/zinc/20/80/56/291208056.db2.gz PNLZPEKEXWAXFF-NEPJUHHUSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)CCN1CCO ZINC000188731807 200295158 /nfs/dbraw/zinc/29/51/58/200295158.db2.gz DSNRRNSXSVOHHW-CQSZACIVSA-N 0 0 312.435 0.557 10 0 DCAERN CN(C)C(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1 ZINC000154375222 291213064 /nfs/dbraw/zinc/21/30/64/291213064.db2.gz CXRGLFAERIYKPG-CQSZACIVSA-N 0 0 308.378 0.460 10 0 DCAERN Cc1ccc(C(=O)N(C)C)cc1OC[C@H](O)CN1CCOCC1 ZINC000154353435 291213093 /nfs/dbraw/zinc/21/30/93/291213093.db2.gz RLVQEJOKRYOWHP-OAHLLOKOSA-N 0 0 322.405 0.769 10 0 DCAERN CN(C)C(=O)c1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000154338586 291213253 /nfs/dbraw/zinc/21/32/53/291213253.db2.gz PXARYRUSYABQCK-CQSZACIVSA-N 0 0 308.378 0.460 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCN(c2ncccc2F)CC1 ZINC000408270705 296008049 /nfs/dbraw/zinc/00/80/49/296008049.db2.gz JCXMUIXIRKZEKN-ZDUSSCGKSA-N 0 0 320.368 0.928 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(C)C ZINC000154465373 291214112 /nfs/dbraw/zinc/21/41/12/291214112.db2.gz UCWBZOWTCYJYEQ-HIFRSBDPSA-N 0 0 321.425 0.666 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000155110686 291218137 /nfs/dbraw/zinc/21/81/37/291218137.db2.gz HJCDWXIJPDITCU-CYBMUJFWSA-N 0 0 318.377 0.005 10 0 DCAERN CCc1cccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000156580791 291225573 /nfs/dbraw/zinc/22/55/73/291225573.db2.gz FQWSHISOGRZVSG-UHFFFAOYSA-N 0 0 301.346 0.828 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)[C@H](C)CO ZINC000158829253 291232854 /nfs/dbraw/zinc/23/28/54/291232854.db2.gz OUFBGIBKHXDVQA-RKDXNWHRSA-N 0 0 314.363 0.313 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000190080198 291233791 /nfs/dbraw/zinc/23/37/91/291233791.db2.gz FWEVHYWEYIVRAS-DGCLKSJQSA-N 0 0 312.391 0.481 10 0 DCAERN CC1(C)O[C@@H]2[C@@H]([C@H](O)CO)O[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000006050303 181308549 /nfs/dbraw/zinc/30/85/49/181308549.db2.gz NKCNUNUEQRYLNZ-ARILJUKYSA-N 0 0 310.346 0.801 10 0 DCAERN CCCNC(=O)CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000161844395 291242755 /nfs/dbraw/zinc/24/27/55/291242755.db2.gz NCZDNEDGFDMYBX-UHFFFAOYSA-N 0 0 318.420 0.798 10 0 DCAERN C[C@@H]1CC(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000162843798 291245442 /nfs/dbraw/zinc/24/54/42/291245442.db2.gz UXFAKMMCUJXINX-KKOKHZNYSA-N 0 0 306.428 0.886 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000283545179 296047413 /nfs/dbraw/zinc/04/74/13/296047413.db2.gz UQPFGEJVTRBVGO-XWIASGKRSA-N 0 0 303.366 0.179 10 0 DCAERN CCC(=O)Oc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 ZINC000006755754 181384101 /nfs/dbraw/zinc/38/41/01/181384101.db2.gz BWRDLPDXUOCYOE-UHFFFAOYSA-N 0 0 303.274 0.631 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000171238629 283839314 /nfs/dbraw/zinc/83/93/14/283839314.db2.gz RZBGFJYXLACVDY-OCCSQVGLSA-N 0 0 306.362 0.738 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCNC(=O)CC1 ZINC000091171152 193011150 /nfs/dbraw/zinc/01/11/50/193011150.db2.gz PBCUTDXQEWMQRI-UHFFFAOYSA-N 0 0 309.370 0.023 10 0 DCAERN NC(=O)CN1CCC(C(=O)N(Cc2nccs2)C2CC2)CC1 ZINC000091519132 193068347 /nfs/dbraw/zinc/06/83/47/193068347.db2.gz LIKMYMVGYUBAFH-UHFFFAOYSA-N 0 0 322.434 0.831 10 0 DCAERN CCCn1ccnc1CNC(=O)C1CCN(CC(N)=O)CC1 ZINC000091459791 193059778 /nfs/dbraw/zinc/05/97/78/193059778.db2.gz QJRVOMYSNQQSCF-UHFFFAOYSA-N 0 0 307.398 0.107 10 0 DCAERN COc1cccc([C@@H](C)CC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784449 193107513 /nfs/dbraw/zinc/10/75/13/193107513.db2.gz NBLNERCGLCVPRJ-FZMZJTMJSA-N 0 0 306.362 0.902 10 0 DCAERN COCC1(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CCCC1 ZINC000456866021 240939130 /nfs/dbraw/zinc/93/91/30/240939130.db2.gz HBVVOEGNOQQUFU-INIZCTEOSA-N 0 0 322.405 0.922 10 0 DCAERN NC(=O)C[C@H]1COCCN1C(=O)Cn1ncc2ccccc21 ZINC000457032582 240960308 /nfs/dbraw/zinc/96/03/08/240960308.db2.gz IRWCGZLCIKBWAB-LBPRGKRZSA-N 0 0 302.334 0.139 10 0 DCAERN Cc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1F ZINC000457549278 241014760 /nfs/dbraw/zinc/01/47/60/241014760.db2.gz CJGLAFIQRMHGFD-LBPRGKRZSA-N 0 0 307.329 0.586 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@H](CO)c2cnn(C)c2)c1 ZINC000457685311 241025970 /nfs/dbraw/zinc/02/59/70/241025970.db2.gz ZNROUYBHNZUBHQ-CQSZACIVSA-N 0 0 317.345 0.979 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457741535 241029915 /nfs/dbraw/zinc/02/99/15/241029915.db2.gz UOZAXOLOTBGSOA-UHFFFAOYSA-N 0 0 314.363 0.061 10 0 DCAERN CCOc1cc(N2CCN(C(C)(C)C(=O)OC)CC2)ncn1 ZINC000489907159 241100226 /nfs/dbraw/zinc/10/02/26/241100226.db2.gz CULFQQRLFJIMGX-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000493818002 241162563 /nfs/dbraw/zinc/16/25/63/241162563.db2.gz LEIJNTYSFIYRSV-SECBINFHSA-N 0 0 305.334 0.330 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000408241085 291372975 /nfs/dbraw/zinc/37/29/75/291372975.db2.gz SEXLVGLRAWRCMR-QJPTWQEYSA-N 0 0 317.407 0.611 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC(C)(C)C(C)(C)O ZINC000234563915 291383403 /nfs/dbraw/zinc/38/34/03/291383403.db2.gz RFQKBRKEIJTDBR-ZJUUUORDSA-N 0 0 307.412 0.797 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000281986814 216678289 /nfs/dbraw/zinc/67/82/89/216678289.db2.gz KZZQYNXBMKGREF-UHFFFAOYSA-N 0 0 318.786 0.216 10 0 DCAERN C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)N1CCOCC1 ZINC000275255893 212228953 /nfs/dbraw/zinc/22/89/53/212228953.db2.gz HDFIJKKJLIIJAY-OLZOCXBDSA-N 0 0 322.409 0.375 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000182405352 296106618 /nfs/dbraw/zinc/10/66/18/296106618.db2.gz LBNLYUWAJUEIFO-SNVBAGLBSA-N 0 0 307.350 0.654 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000092228941 193176639 /nfs/dbraw/zinc/17/66/39/193176639.db2.gz KUBFGYQHDSVARB-LBPRGKRZSA-N 0 0 321.381 0.123 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCc1nc(-c2ccccc2)no1 ZINC000092229637 193177275 /nfs/dbraw/zinc/17/72/75/193177275.db2.gz SXUHJKZVOHABGU-LBPRGKRZSA-N 0 0 302.334 0.465 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)N1CCCc2ccccc21 ZINC000092229833 193177301 /nfs/dbraw/zinc/17/73/01/193177301.db2.gz CAKMWZMOEOXAPD-CQSZACIVSA-N 0 0 303.362 0.152 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000252672878 291426279 /nfs/dbraw/zinc/42/62/79/291426279.db2.gz DNSUGJFAQQFMRH-SDDRHHMPSA-N 0 0 304.412 0.704 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)F)C[C@H](C)O1 ZINC000190963938 261135391 /nfs/dbraw/zinc/13/53/91/261135391.db2.gz ZOKAHKXDCDUFKF-DTORHVGOSA-N 0 0 302.343 0.212 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049457825 296140431 /nfs/dbraw/zinc/14/04/31/296140431.db2.gz DIADYCILHZDUGW-VFPQWFPESA-N 0 0 300.424 0.961 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279059132 296143001 /nfs/dbraw/zinc/14/30/01/296143001.db2.gz ZVMYRRUDNRUEOE-CZUORRHYSA-N 0 0 302.330 0.565 10 0 DCAERN CS(=O)(=O)N1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096063671 193515125 /nfs/dbraw/zinc/51/51/25/193515125.db2.gz HQTVYGQTMKPHOG-DTORHVGOSA-N 0 0 301.393 0.107 10 0 DCAERN O=C(c1n[nH]c2c1CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172747632 296159160 /nfs/dbraw/zinc/15/91/60/296159160.db2.gz NQRHETHOVMEXKB-GFCCVEGCSA-N 0 0 304.394 0.835 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000191575467 284322810 /nfs/dbraw/zinc/32/28/10/284322810.db2.gz NALFZMDOXCWRQC-RYUDHWBXSA-N 0 0 308.378 0.929 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCCc2n[nH]cc21 ZINC000408207729 284339885 /nfs/dbraw/zinc/33/98/85/284339885.db2.gz TWFCWEKUDYZJLB-JOYOIKCWSA-N 0 0 313.379 0.834 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(O)CCSCC2)C[C@H]1C ZINC000408316833 284341631 /nfs/dbraw/zinc/34/16/31/284341631.db2.gz DNQDEAGVEOGRMU-MNOVXSKESA-N 0 0 301.408 0.902 10 0 DCAERN CNS(=O)(=O)N1CCN(c2ncnc3ccc(C)cc32)CC1 ZINC000288478498 220168544 /nfs/dbraw/zinc/16/85/44/220168544.db2.gz RNOFPWQUEBKNHR-UHFFFAOYSA-N 0 0 321.406 0.524 10 0 DCAERN Cn1ccc(CC(=O)N2CCC[C@@H](Cn3cc(CO)nn3)C2)c1 ZINC000019732575 182139070 /nfs/dbraw/zinc/13/90/70/182139070.db2.gz QLQILHQOWCEDON-CQSZACIVSA-N 0 0 317.393 0.590 10 0 DCAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCOCC1CCC1 ZINC000572540584 291574140 /nfs/dbraw/zinc/57/41/40/291574140.db2.gz ADOPGCOCHSMMAU-UHFFFAOYSA-N 0 0 323.393 0.784 10 0 DCAERN COC[C@](C)(O)CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000572923422 291598392 /nfs/dbraw/zinc/59/83/92/291598392.db2.gz BWCYGLCBAUYELR-OAHLLOKOSA-N 0 0 307.350 0.942 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@]2(CCOC2)C1 ZINC000187156022 296228465 /nfs/dbraw/zinc/22/84/65/296228465.db2.gz OQTLIZJRHXMGAL-OAHLLOKOSA-N 0 0 303.318 0.488 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)N[C@H]2CCC(=O)NC2=O)cn1 ZINC000189779934 335035551 /nfs/dbraw/zinc/03/55/51/335035551.db2.gz HAIXGFITLUGIJE-KCJUWKMLSA-N 0 0 305.338 0.781 10 0 DCAERN COCCn1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)n1 ZINC000101531111 193817401 /nfs/dbraw/zinc/81/74/01/193817401.db2.gz CBKQNBXISKWIST-SNVBAGLBSA-N 0 0 306.322 0.880 10 0 DCAERN CCCN(CC(=O)OC)S(=O)(=O)c1sc(=O)[nH]c1C ZINC000037926635 182938134 /nfs/dbraw/zinc/93/81/34/182938134.db2.gz KBGNNKCEPQINKL-UHFFFAOYSA-N 0 0 308.381 0.319 10 0 DCAERN COC(=O)CN(C)S(=O)(=O)Cc1cccc(C(N)=S)c1 ZINC000038005241 182959591 /nfs/dbraw/zinc/95/95/91/182959591.db2.gz PBANHCYNLVHPAK-UHFFFAOYSA-N 0 0 316.404 0.255 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)NCc2cn[nH]c2)CC1 ZINC000038007106 182960316 /nfs/dbraw/zinc/96/03/16/182960316.db2.gz BEIRCFIHEAPTDZ-UHFFFAOYSA-N 0 0 316.383 0.019 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249023563 296260202 /nfs/dbraw/zinc/26/02/02/296260202.db2.gz KNUMPGKJLQMPJW-HZSPNIEDSA-N 0 0 309.410 0.367 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N(CC)C[C@@H](C)C(N)=S ZINC000042443867 183271064 /nfs/dbraw/zinc/27/10/64/183271064.db2.gz XBUAEAYPYQOYNA-SECBINFHSA-N 0 0 310.441 0.514 10 0 DCAERN CCN(CCC(N)=S)S(=O)(=O)CCc1ccncc1 ZINC000042452286 183272089 /nfs/dbraw/zinc/27/20/89/183272089.db2.gz JDTCXGCTUJPSGZ-UHFFFAOYSA-N 0 0 301.437 0.952 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)SC)C1 ZINC000360135765 261797154 /nfs/dbraw/zinc/79/71/54/261797154.db2.gz REJLSZFWTGTAMH-WDEREUQCSA-N 0 0 315.439 0.371 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000104797097 194041156 /nfs/dbraw/zinc/04/11/56/194041156.db2.gz SUWPNFIQGPOCRK-CQSZACIVSA-N 0 0 320.393 0.176 10 0 DCAERN CN(CCCNC(=O)N1CCNC(=O)CC1)CC(F)(F)F ZINC000105147017 194078762 /nfs/dbraw/zinc/07/87/62/194078762.db2.gz DGJZALQDWUGVKL-UHFFFAOYSA-N 0 0 310.320 0.402 10 0 DCAERN O=c1onc(-c2cnccn2)n1Cc1nc(-c2ccoc2)no1 ZINC000105573674 194111814 /nfs/dbraw/zinc/11/18/14/194111814.db2.gz NJUCLZHUALEOMO-UHFFFAOYSA-N 0 0 312.245 0.985 10 0 DCAERN Cc1c(S(=O)(=O)NCCn2ncnn2)c2ccccc2n1C ZINC000574828303 291718962 /nfs/dbraw/zinc/71/89/62/291718962.db2.gz QEGMOUCAHMPMMB-UHFFFAOYSA-N 0 0 320.378 0.452 10 0 DCAERN O=C(CN1CCC(Nc2cccnn2)CC1)NC[C@H]1CCCO1 ZINC000105910226 194167257 /nfs/dbraw/zinc/16/72/57/194167257.db2.gz SCNDNDZNXQTFPE-CQSZACIVSA-N 0 0 319.409 0.648 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000106397856 194206540 /nfs/dbraw/zinc/20/65/40/194206540.db2.gz FNYPBVCWMBPFDQ-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN CC[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H](C)O1 ZINC000111003695 194380478 /nfs/dbraw/zinc/38/04/78/194380478.db2.gz LADUAMITBQSZMM-MNOVXSKESA-N 0 0 319.365 0.156 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@H]2C[C@H]2c2ccccc2)C1=O ZINC000111051944 194387494 /nfs/dbraw/zinc/38/74/94/194387494.db2.gz XBOJKMQWPGLHFJ-OLZOCXBDSA-N 0 0 301.346 0.800 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000056227962 184007585 /nfs/dbraw/zinc/00/75/85/184007585.db2.gz OSDQLKRIHIZDKN-UHFFFAOYSA-N 0 0 305.309 0.377 10 0 DCAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@H](O)C1 ZINC000061712248 184184942 /nfs/dbraw/zinc/18/49/42/184184942.db2.gz YSINFIUSYRIURQ-QMMMGPOBSA-N 0 0 301.755 0.743 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)CC2CC2)CC1 ZINC000112708061 194508165 /nfs/dbraw/zinc/50/81/65/194508165.db2.gz ODCXEVWVOMRIGM-JTQLQIEISA-N 0 0 304.412 0.894 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1CCc2ncnn2C1 ZINC000112741320 194516107 /nfs/dbraw/zinc/51/61/07/194516107.db2.gz QEJAOBHDXCFQQU-OLZOCXBDSA-N 0 0 323.397 0.478 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000177610743 532950973 /nfs/dbraw/zinc/95/09/73/532950973.db2.gz WXLNCARIDUZXOM-QWHCGFSZSA-N 0 0 324.425 0.112 10 0 DCAERN Cc1nc(NC(=O)C(=O)NCCCN2CCCC2=O)sc1C ZINC000170316108 252593515 /nfs/dbraw/zinc/59/35/15/252593515.db2.gz VZRKGBMEGMGGAW-UHFFFAOYSA-N 0 0 324.406 0.827 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)C[C@H]2CCOC2)cc1 ZINC000175433826 252601645 /nfs/dbraw/zinc/60/16/45/252601645.db2.gz FBDOTEFXKYIQSF-GFCCVEGCSA-N 0 0 306.362 0.920 10 0 DCAERN CC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)OC ZINC000176325111 252601863 /nfs/dbraw/zinc/60/18/63/252601863.db2.gz YWGLUHJBYCAGDA-LLVKDONJSA-N 0 0 314.288 0.762 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2sccc2Cl)C1 ZINC000333135788 252685275 /nfs/dbraw/zinc/68/52/75/252685275.db2.gz XUCMOCSABVMRTQ-UHFFFAOYSA-N 0 0 321.811 0.800 10 0 DCAERN O=S(=O)(NC[C@H](CO)[C@@H]1CCOC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333161866 252688948 /nfs/dbraw/zinc/68/89/48/252688948.db2.gz MATHVIZSWZHYRL-XVIXHAIJSA-N 0 0 303.424 0.739 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@@]2(CCO)CCOC2)[nH]1 ZINC000333194806 252692689 /nfs/dbraw/zinc/69/26/89/252692689.db2.gz WUWOJFBOZLCFNQ-OAHLLOKOSA-N 0 0 304.350 0.785 10 0 DCAERN CN(C(=O)Cc1cc[nH]n1)C1CCN(c2cnccn2)CC1 ZINC000333343403 252709395 /nfs/dbraw/zinc/70/93/95/252709395.db2.gz UCCQUGJKDYAUGG-UHFFFAOYSA-N 0 0 300.366 0.870 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000333451662 252724442 /nfs/dbraw/zinc/72/44/42/252724442.db2.gz LWNCNDQPUOUEDD-QWRGUYRKSA-N 0 0 316.365 0.294 10 0 DCAERN O=C(N[C@H]1CCc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000333711088 252754832 /nfs/dbraw/zinc/75/48/32/252754832.db2.gz MDWRDMZONRRUIM-AAEUAGOBSA-N 0 0 307.371 0.735 10 0 DCAERN CC(=O)N1CCC(NC(=O)N2CCN(CC(F)F)CC2)CC1 ZINC000339455950 253088333 /nfs/dbraw/zinc/08/83/33/253088333.db2.gz UWISKZCCCJNEMY-UHFFFAOYSA-N 0 0 318.368 0.590 10 0 DCAERN CC1(C)CN(C(=O)C[C@@H]2CCCC[C@H]2O)CCS1(=O)=O ZINC000343759028 253698212 /nfs/dbraw/zinc/69/82/12/253698212.db2.gz GYTVPNAEFQTHPG-NWDGAFQWSA-N 0 0 303.424 0.963 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)N1CCNC(=O)CC1 ZINC000163731576 220447831 /nfs/dbraw/zinc/44/78/31/220447831.db2.gz YKLHALAXBWHNHC-UHFFFAOYSA-N 0 0 307.398 0.576 10 0 DCAERN Cc1cc(N2CCN(CCS(=O)(=O)C(C)C)CC2)n[nH]1 ZINC000187159984 220457629 /nfs/dbraw/zinc/45/76/29/220457629.db2.gz FPRXODMJVJAXCZ-UHFFFAOYSA-N 0 0 300.428 0.663 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000347610754 254171414 /nfs/dbraw/zinc/17/14/14/254171414.db2.gz FJHQZBVYWOFTCD-FQUUOJAGSA-N 0 0 322.405 0.698 10 0 DCAERN COc1ccc(SCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350629845 254321776 /nfs/dbraw/zinc/32/17/76/254321776.db2.gz SRDYHUOSWPGBLG-SECBINFHSA-N 0 0 318.420 0.581 10 0 DCAERN COCCO[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC000187998877 533193119 /nfs/dbraw/zinc/19/31/19/533193119.db2.gz CICIZOXNICZASG-UONOGXRCSA-N 0 0 312.410 0.897 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2c1nncs1 ZINC000249703440 257107186 /nfs/dbraw/zinc/10/71/86/257107186.db2.gz ZYEJQZVBWMOUEN-ZJUUUORDSA-N 0 0 302.425 0.931 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@@H]2O1 ZINC000248162997 257108593 /nfs/dbraw/zinc/10/85/93/257108593.db2.gz YLWFKCAQHXZBPW-ILXRZTDVSA-N 0 0 322.409 0.162 10 0 DCAERN CO[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1Cc1cnn(C)c1 ZINC000248147715 257108648 /nfs/dbraw/zinc/10/86/48/257108648.db2.gz SKYNXXVFYABBJD-KGLIPLIRSA-N 0 0 301.350 0.682 10 0 DCAERN CN1C[C@@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2S1(=O)=O ZINC000248142363 257108791 /nfs/dbraw/zinc/10/87/91/257108791.db2.gz QSIPVKNARJWURD-STQMWFEESA-N 0 0 309.391 0.578 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2c1cnn2C ZINC000248016685 257111797 /nfs/dbraw/zinc/11/17/97/257111797.db2.gz GOFGWSFGZKUAPL-NSHDSACASA-N 0 0 322.390 0.750 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CCOC12CN(Cc1ccco1)C2 ZINC000247999114 257112090 /nfs/dbraw/zinc/11/20/90/257112090.db2.gz NFSZDOYGTGMZJX-ZDUSSCGKSA-N 0 0 308.378 0.975 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2N1C(C)=O ZINC000247951581 257114142 /nfs/dbraw/zinc/11/41/42/257114142.db2.gz RAXGZFHJXILYAR-SDDRHHMPSA-N 0 0 321.402 0.556 10 0 DCAERN COCCN1CCO[C@@H]2CN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000247814058 257117216 /nfs/dbraw/zinc/11/72/16/257117216.db2.gz ABDPUCPQZOWNNE-UONOGXRCSA-N 0 0 309.341 0.392 10 0 DCAERN O=C(N1CCCO1)[C@@]12COC[C@@H]1C[N@H+](Cc1nccs1)C2 ZINC000247748986 257117926 /nfs/dbraw/zinc/11/79/26/257117926.db2.gz SNZDBMUVUANYOE-FZMZJTMJSA-N 0 0 309.391 0.755 10 0 DCAERN O=C([C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccco2)O1)N1CCOCC1 ZINC000247763451 257118667 /nfs/dbraw/zinc/11/86/67/257118667.db2.gz JEOIZFAPGQBEJP-KFWWJZLASA-N 0 0 306.362 0.870 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2c1cc(OC)ncn1 ZINC000253491813 257105182 /nfs/dbraw/zinc/10/51/82/257105182.db2.gz NVWROOSMNCBLAW-MNOVXSKESA-N 0 0 312.395 0.488 10 0 DCAERN Cc1cnnn1C[C@@H]1CC[C@@H]2[C@@H]1OCCN2S(C)(=O)=O ZINC000253599390 257105784 /nfs/dbraw/zinc/10/57/84/257105784.db2.gz REBFKOYFNJAMJW-QJPTWQEYSA-N 0 0 300.384 0.026 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)CN1CC(=O)NC1=O ZINC000132819098 545794379 /nfs/dbraw/zinc/79/43/79/545794379.db2.gz FIGJSLNUEVEHMT-UHFFFAOYSA-N 0 0 310.379 0.474 10 0 DCAERN COc1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc(C)n1 ZINC000299741244 533525707 /nfs/dbraw/zinc/52/57/07/533525707.db2.gz DBDUKSIAWRXZPW-NEPJUHHUSA-N 0 0 304.350 0.637 10 0 DCAERN CN(CCN1CCOCC1)C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275438322 130321312 /nfs/dbraw/zinc/32/13/12/130321312.db2.gz FQHMOLHZYAUWLU-ZDUSSCGKSA-N 0 0 322.409 0.328 10 0 DCAERN Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1 ZINC000275537564 130333440 /nfs/dbraw/zinc/33/34/40/130333440.db2.gz FEEINHVTJIUYPG-QWRGUYRKSA-N 0 0 307.329 0.751 10 0 DCAERN Cc1cc(CS(=O)(=O)NCCN2CCCOCC2)no1 ZINC000275680421 130361121 /nfs/dbraw/zinc/36/11/21/130361121.db2.gz YWJBEZQILRLFEV-UHFFFAOYSA-N 0 0 303.384 0.125 10 0 DCAERN C[C@]1(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CCCO1 ZINC000275833315 130394212 /nfs/dbraw/zinc/39/42/12/130394212.db2.gz VNJURPJNGHZOFU-IAQYHMDHSA-N 0 0 306.366 0.836 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cc21 ZINC000276785687 130546550 /nfs/dbraw/zinc/54/65/50/130546550.db2.gz QEQUMGCRAIKOLE-LBPRGKRZSA-N 0 0 313.361 0.805 10 0 DCAERN Cn1ncc2c1nc(N1CCN(CC(F)(F)F)CC1)nc2N ZINC000278502981 130697114 /nfs/dbraw/zinc/69/71/14/130697114.db2.gz XNNZFYURDGFYBT-UHFFFAOYSA-N 0 0 315.303 0.630 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CSC3(C)C)C2=O)cn1 ZINC000283673362 131012153 /nfs/dbraw/zinc/01/21/53/131012153.db2.gz SMOARILDIJITCQ-QWRGUYRKSA-N 0 0 323.422 0.719 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 ZINC000283958022 131036535 /nfs/dbraw/zinc/03/65/35/131036535.db2.gz GIHKTYVWNFEMRD-NWDGAFQWSA-N 0 0 323.418 0.409 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@@H]21 ZINC000284214097 131059858 /nfs/dbraw/zinc/05/98/58/131059858.db2.gz ZRLKFGGLBZBCLI-LSDHHAIUSA-N 0 0 304.394 0.739 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cs1 ZINC000284434318 131080796 /nfs/dbraw/zinc/08/07/96/131080796.db2.gz JKRCJEAWPGNTQV-NEPJUHHUSA-N 0 0 324.406 0.647 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3[nH]cnc3c2)C1 ZINC000284613463 131096891 /nfs/dbraw/zinc/09/68/91/131096891.db2.gz BGKNFEQEYYSEES-OAHLLOKOSA-N 0 0 302.334 0.875 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1 ZINC000284665346 131101700 /nfs/dbraw/zinc/10/17/00/131101700.db2.gz HGFKKAYPUVCZHY-MWLCHTKSSA-N 0 0 300.384 0.206 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2cc[nH]n2)CC(C)(C)O1 ZINC000284663811 131102143 /nfs/dbraw/zinc/10/21/43/131102143.db2.gz YCEHHRKIGWMQEM-ZDUSSCGKSA-N 0 0 310.398 0.494 10 0 DCAERN C[C@H]1OCCN(CCc2nc(-c3ccccc3)no2)[C@@H]1C(N)=O ZINC000284927731 131123293 /nfs/dbraw/zinc/12/32/93/131123293.db2.gz HNKDMTDAEQMYSJ-RISCZKNCSA-N 0 0 316.361 0.854 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000285106405 131138490 /nfs/dbraw/zinc/13/84/90/131138490.db2.gz YFSOHJKUBSBPPS-YQQAZPJKSA-N 0 0 318.373 0.134 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)s1 ZINC000285124922 131140617 /nfs/dbraw/zinc/14/06/17/131140617.db2.gz RSNALCRHEIQWTH-SFYZADRCSA-N 0 0 307.372 0.346 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@]1(O)CCCN(C(C)=O)C1 ZINC000285697878 131194665 /nfs/dbraw/zinc/19/46/65/131194665.db2.gz WUGXXVFZOMZOCH-INIZCTEOSA-N 0 0 324.352 0.824 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncnc3c2ncn3C2CC2)C1 ZINC000292855734 131683128 /nfs/dbraw/zinc/68/31/28/131683128.db2.gz WLNZZWINXCKYAL-SECBINFHSA-N 0 0 322.394 0.289 10 0 DCAERN COc1cc([C@@H](O)c2cnc(N)nc2N)cc(OC)c1OC ZINC000013760478 395688897 /nfs/dbraw/zinc/68/88/97/395688897.db2.gz ZQRSRBQVQNNQKD-LLVKDONJSA-N 0 0 306.322 0.749 10 0 DCAERN CCOC(=O)Cn1nnc(Cn2cnc(Cl)c2Cl)n1 ZINC000002243773 395681416 /nfs/dbraw/zinc/68/14/16/395681416.db2.gz GFQBUXJLDRWXKB-UHFFFAOYSA-N 0 0 305.125 0.788 10 0 DCAERN O=C(c1ccccc1[S@@](=O)N1CCOCC1)N1CCOCC1 ZINC000005277895 395682608 /nfs/dbraw/zinc/68/26/08/395682608.db2.gz SEVYPLYOVFKILK-QFIPXVFZSA-N 0 0 324.402 0.514 10 0 DCAERN CCCC(=O)OC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 ZINC000005972827 395682865 /nfs/dbraw/zinc/68/28/65/395682865.db2.gz DQXKOXQEQONOBG-SCZZXKLOSA-N 0 0 317.342 0.896 10 0 DCAERN Cc1cnc(N[C@@H]2CCN(C)C2=O)nc1N[C@@H]1CCN(C)C1=O ZINC000085687776 395701674 /nfs/dbraw/zinc/70/16/74/395701674.db2.gz CSJNADXKGUXYNO-GHMZBOCLSA-N 0 0 318.381 0.070 10 0 DCAERN C[C@H]1CCC[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000032029855 395709042 /nfs/dbraw/zinc/70/90/42/395709042.db2.gz LJRXZAYLDMPIDH-WDEREUQCSA-N 0 0 303.366 0.825 10 0 DCAERN CC(=O)N(C)CC(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000032276628 395710305 /nfs/dbraw/zinc/71/03/05/395710305.db2.gz XYXIKYHTYSKLJX-UHFFFAOYSA-N 0 0 319.405 0.613 10 0 DCAERN CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN([C@@H]2CCOC2=O)C1 ZINC000089741291 395714182 /nfs/dbraw/zinc/71/41/82/395714182.db2.gz RPRZQOAHHLTUMO-QWHCGFSZSA-N 0 0 319.409 0.514 10 0 DCAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000035177079 395719485 /nfs/dbraw/zinc/71/94/85/395719485.db2.gz ABFWKTQLDXUCQT-TUAOUCFPSA-N 0 0 322.427 0.518 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCC[C@@H]1C(=O)N(C)C ZINC000027565594 395695089 /nfs/dbraw/zinc/69/50/89/395695089.db2.gz OYGVKRCSHDRWRO-CQSZACIVSA-N 0 0 319.405 0.864 10 0 DCAERN O=c1c(Br)ccccc1N1CCN(CCO)CC1 ZINC000027997025 395695560 /nfs/dbraw/zinc/69/55/60/395695560.db2.gz PNEVCPRHIATQEM-UHFFFAOYSA-N 0 0 313.195 0.924 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(O)cc2)s1 ZINC000028014194 395695689 /nfs/dbraw/zinc/69/56/89/395695689.db2.gz GXOBTQMAAWWKKU-UHFFFAOYSA-N 0 0 319.385 0.934 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)c(F)cc1F ZINC000084674140 395698302 /nfs/dbraw/zinc/69/83/02/395698302.db2.gz WGJFLYXFTXJBLP-JTQLQIEISA-N 0 0 304.318 0.830 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768805 395699448 /nfs/dbraw/zinc/69/94/48/395699448.db2.gz XPFOWHQNWUKUSN-AOOOYVTPSA-N 0 0 316.379 0.578 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768807 395699564 /nfs/dbraw/zinc/69/95/64/395699564.db2.gz XPFOWHQNWUKUSN-UWVGGRQHSA-N 0 0 316.379 0.578 10 0 DCAERN Cc1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cnn1C ZINC000037009267 395725573 /nfs/dbraw/zinc/72/55/73/395725573.db2.gz MIOBYFZTPPWJJS-UHFFFAOYSA-N 0 0 308.363 0.306 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC1CCC(O)CC1 ZINC000037490191 395727395 /nfs/dbraw/zinc/72/73/95/395727395.db2.gz BTPBUWNSHLUOQN-UHFFFAOYSA-N 0 0 317.367 0.168 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037732135 395729144 /nfs/dbraw/zinc/72/91/44/395729144.db2.gz NROGWSRYGPWUTD-RKDXNWHRSA-N 0 0 317.367 0.168 10 0 DCAERN O=C(C1=NNC(=O)CC1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000037841389 395729481 /nfs/dbraw/zinc/72/94/81/395729481.db2.gz UNKVNVZZTWHDJD-GHMZBOCLSA-N 0 0 311.407 0.766 10 0 DCAERN C[C@@H]1CC[C@H](C)N(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C1 ZINC000095975832 395741097 /nfs/dbraw/zinc/74/10/97/395741097.db2.gz BOFQJGOAJTUYSV-ZJUUUORDSA-N 0 0 305.382 0.581 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)N2CCN(CCO)CC2)c1 ZINC000106929282 395784682 /nfs/dbraw/zinc/78/46/82/395784682.db2.gz AMPCCNROTIMMLL-CVEARBPZSA-N 0 0 304.390 0.935 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000194082280 395787689 /nfs/dbraw/zinc/78/76/89/395787689.db2.gz KIPOHVCSYANOPV-ONGXEEELSA-N 0 0 315.337 0.308 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC000108459908 395790190 /nfs/dbraw/zinc/79/01/90/395790190.db2.gz JFBLOOWFCGDVJS-VHSXEESVSA-N 0 0 310.375 0.888 10 0 DCAERN COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000046186235 395772933 /nfs/dbraw/zinc/77/29/33/395772933.db2.gz MNUFTUIUFYYNDN-QWHCGFSZSA-N 0 0 304.346 0.885 10 0 DCAERN Cc1nnc(CN(C)CCN2C(=O)c3ccccc3C2=O)n1C ZINC000103556821 395774608 /nfs/dbraw/zinc/77/46/08/395774608.db2.gz APYNHDQRPWJNRZ-UHFFFAOYSA-N 0 0 313.361 0.852 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2cnccn2)CC1 ZINC000194706991 395804634 /nfs/dbraw/zinc/80/46/34/395804634.db2.gz HBPIVYINEJDWPN-AWEZNQCLSA-N 0 0 303.410 0.903 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000048088311 395807098 /nfs/dbraw/zinc/80/70/98/395807098.db2.gz QAWYLQIMSQXHMP-LLVKDONJSA-N 0 0 310.375 0.428 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CNC(=O)C1 ZINC000194863262 395810189 /nfs/dbraw/zinc/81/01/89/395810189.db2.gz YTVFIDCFEIPDSE-JTQLQIEISA-N 0 0 305.334 0.137 10 0 DCAERN Cc1cccc2[nH]cc(CCNC(=O)CN3CC(=O)NC3=O)c21 ZINC000111607534 395810697 /nfs/dbraw/zinc/81/06/97/395810697.db2.gz PYIWFHIRJOCXQN-UHFFFAOYSA-N 0 0 314.345 0.687 10 0 DCAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C(C)C ZINC000195043024 395814124 /nfs/dbraw/zinc/81/41/24/395814124.db2.gz UBYLKUIZFZCWQR-SNVBAGLBSA-N 0 0 320.436 0.918 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000112329816 395816354 /nfs/dbraw/zinc/81/63/54/395816354.db2.gz XIFWWIUBDNYUJR-LBPRGKRZSA-N 0 0 321.352 0.964 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000112391109 395817459 /nfs/dbraw/zinc/81/74/59/395817459.db2.gz SFVWMXXQJXJMOD-HIFRSBDPSA-N 0 0 307.394 0.658 10 0 DCAERN O=C(CCC1CCCC1)NCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650592 395820313 /nfs/dbraw/zinc/82/03/13/395820313.db2.gz GQHPEXJENXAAKH-CYBMUJFWSA-N 0 0 319.409 0.796 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270898416 395820863 /nfs/dbraw/zinc/82/08/63/395820863.db2.gz QWHMAEYWQYKHSO-WDEREUQCSA-N 0 0 303.366 0.524 10 0 DCAERN O=C(CCNC(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000112661695 395820829 /nfs/dbraw/zinc/82/08/29/395820829.db2.gz VUFKQADWOUJFOY-SNVBAGLBSA-N 0 0 319.390 0.591 10 0 DCAERN O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112650790 395820833 /nfs/dbraw/zinc/82/08/33/395820833.db2.gz RCPZKURIMICUMQ-ZYHUDNBSSA-N 0 0 311.345 0.835 10 0 DCAERN CC(C)n1nnnc1CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000195200065 395820908 /nfs/dbraw/zinc/82/09/08/395820908.db2.gz MNTCFNWHZUNFKD-UHFFFAOYSA-N 0 0 304.354 0.865 10 0 DCAERN CCCn1c(C)nnc1S(=O)(=O)CC(=O)NC(C)(C)C ZINC000195206551 395821012 /nfs/dbraw/zinc/82/10/12/395821012.db2.gz WIKBDEVIKQTNCX-UHFFFAOYSA-N 0 0 302.400 0.685 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)C(C)(C)C ZINC000195416472 395826297 /nfs/dbraw/zinc/82/62/97/395826297.db2.gz CUWLGLNXJCDRKM-GFCCVEGCSA-N 0 0 311.426 0.912 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCCN(c2ccccn2)CC1 ZINC000195453465 395827790 /nfs/dbraw/zinc/82/77/90/395827790.db2.gz SMKLCMBQCPMGJT-CYBMUJFWSA-N 0 0 313.423 0.958 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000113193266 395828187 /nfs/dbraw/zinc/82/81/87/395828187.db2.gz FQEGSZUOQOPYOB-VHSXEESVSA-N 0 0 323.299 0.736 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000114296683 395832908 /nfs/dbraw/zinc/83/29/08/395832908.db2.gz PZMFRJHDXZQDSD-SNVBAGLBSA-N 0 0 310.375 0.815 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000050079667 395835821 /nfs/dbraw/zinc/83/58/21/395835821.db2.gz CRSUURRXJONALD-MRXNPFEDSA-N 0 0 315.417 0.852 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116114087 395842314 /nfs/dbraw/zinc/84/23/14/395842314.db2.gz IFSBYLMWZAEBBW-GFCCVEGCSA-N 0 0 315.377 0.969 10 0 DCAERN Cn1cc([C@H]2CCN([C@@H]3CCN(c4cnn(C)c4)C3=O)C2)cn1 ZINC000116317166 395843321 /nfs/dbraw/zinc/84/33/21/395843321.db2.gz ZUXSGVLSHMULMM-SWLSCSKDSA-N 0 0 314.393 0.748 10 0 DCAERN CN(C)c1nc(N)nc(CN2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116323522 395843335 /nfs/dbraw/zinc/84/33/35/395843335.db2.gz KHBVOLWRPIIOMS-JTQLQIEISA-N 0 0 302.386 0.243 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)NCCNS(C)(=O)=O)cc21 ZINC000116721969 395844655 /nfs/dbraw/zinc/84/46/55/395844655.db2.gz LMYWODZGFAWQDD-UHFFFAOYSA-N 0 0 313.354 0.894 10 0 DCAERN COCC[S@@](=O)Cc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000116682979 395844805 /nfs/dbraw/zinc/84/48/05/395844805.db2.gz SSLIOQAJUCMHMJ-IPQOISQHSA-N 0 0 324.402 0.656 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000225486731 395860767 /nfs/dbraw/zinc/86/07/67/395860767.db2.gz SZMOZMFTWDXSHS-CQSZACIVSA-N 0 0 314.744 0.860 10 0 DCAERN CO[C@@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116831200 395847047 /nfs/dbraw/zinc/84/70/47/395847047.db2.gz SGOKTYCNPZRSNE-QWHCGFSZSA-N 0 0 312.391 0.524 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)CCN1CCOC ZINC000117303223 395852322 /nfs/dbraw/zinc/85/23/22/395852322.db2.gz KIDBXHWJALZOSV-CYBMUJFWSA-N 0 0 320.393 0.363 10 0 DCAERN CN1C[C@H](C(=O)NCCc2csc(N3CCCC3)n2)CC1=O ZINC000117983878 395857328 /nfs/dbraw/zinc/85/73/28/395857328.db2.gz MEDHOCBAISDNLX-LLVKDONJSA-N 0 0 322.434 0.880 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCOc2ccccc2)cn1 ZINC000194255732 395792166 /nfs/dbraw/zinc/79/21/66/395792166.db2.gz SPMUSSIXVHKXLI-UHFFFAOYSA-N 0 0 317.349 0.830 10 0 DCAERN Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C)cn2)n(C)n1 ZINC000194372207 395794953 /nfs/dbraw/zinc/79/49/53/395794953.db2.gz QMNPFBDVFYNUGX-UHFFFAOYSA-N 0 0 308.363 0.844 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000109264608 395797008 /nfs/dbraw/zinc/79/70/08/395797008.db2.gz HRNKCCDBHWVFTR-GFCCVEGCSA-N 0 0 305.378 0.314 10 0 DCAERN CCOC(=O)CN[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000194450016 395797073 /nfs/dbraw/zinc/79/70/73/395797073.db2.gz WHBDBVFUDHUCPU-CQSZACIVSA-N 0 0 306.362 0.949 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)no1 ZINC000270678971 395797113 /nfs/dbraw/zinc/79/71/13/395797113.db2.gz CEQJMNMTKSDCMK-VIFPVBQESA-N 0 0 301.368 0.562 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000194609453 395801533 /nfs/dbraw/zinc/80/15/33/395801533.db2.gz UVTXXYVFENTCPP-LBPRGKRZSA-N 0 0 318.439 0.181 10 0 DCAERN O=C(CNC(=O)c1cc2c(s1)CCCC2)N1CC(CO)C1 ZINC000122582772 395887033 /nfs/dbraw/zinc/88/70/33/395887033.db2.gz ZYGPVNOHYHALER-UHFFFAOYSA-N 0 0 308.403 0.807 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000234599898 395889525 /nfs/dbraw/zinc/88/95/25/395889525.db2.gz FIZAEADAABSZNI-KIDURHIOSA-N 0 0 305.396 0.361 10 0 DCAERN CCN(C)S(=O)(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245460320 395929425 /nfs/dbraw/zinc/92/94/25/395929425.db2.gz LZLVCBJOAWZUOV-WOPDTQHZSA-N 0 0 304.412 0.989 10 0 DCAERN CC(C)N(C)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000123998106 395899081 /nfs/dbraw/zinc/89/90/81/395899081.db2.gz BYOBUTVJLZAZFS-SNVBAGLBSA-N 0 0 309.391 0.980 10 0 DCAERN C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCNC(=O)CC1 ZINC000126183876 395910797 /nfs/dbraw/zinc/91/07/97/395910797.db2.gz CORYYGHLWJWSPE-GXTWGEPZSA-N 0 0 317.389 0.837 10 0 DCAERN Cc1ncn(CC[C@@H](C)O)c(=O)c1I ZINC000134035966 395930651 /nfs/dbraw/zinc/93/06/51/395930651.db2.gz VRBSELNFZKWVJE-ZCFIWIBFSA-N 0 0 308.119 0.927 10 0 DCAERN COC(=O)C1(C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000127430703 395915777 /nfs/dbraw/zinc/91/57/77/395915777.db2.gz IAWREASPGFNRKU-UHFFFAOYSA-N 0 0 306.366 0.018 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000055292286 395916340 /nfs/dbraw/zinc/91/63/40/395916340.db2.gz MYQLIBPIXVMZAR-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN O=C(CCCNC(=O)Cn1c(=O)[nH]c2ccccc21)NC1CC1 ZINC000127945269 395916735 /nfs/dbraw/zinc/91/67/35/395916735.db2.gz VIXDBLWJJKBMRI-UHFFFAOYSA-N 0 0 316.361 0.505 10 0 DCAERN Cc1ncn(CC[C@H](C)O)c(=O)c1I ZINC000134036194 395930885 /nfs/dbraw/zinc/93/08/85/395930885.db2.gz VRBSELNFZKWVJE-LURJTMIESA-N 0 0 308.119 0.927 10 0 DCAERN Cc1cccc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)n1 ZINC000130467487 395922675 /nfs/dbraw/zinc/92/26/75/395922675.db2.gz DQXAZIBZYMCCLZ-UHFFFAOYSA-N 0 0 312.333 0.150 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc([S@](C)=O)cc1 ZINC000132269047 395926510 /nfs/dbraw/zinc/92/65/10/395926510.db2.gz PXGANWLXWYWUFU-JOCHJYFZSA-N 0 0 319.386 0.791 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000226809913 395867273 /nfs/dbraw/zinc/86/72/73/395867273.db2.gz VPIVWWBZSKRRCL-OLZOCXBDSA-N 0 0 320.455 0.714 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000228064044 395870526 /nfs/dbraw/zinc/87/05/26/395870526.db2.gz XBSMZCZZCQMHFK-RKDXNWHRSA-N 0 0 307.803 0.903 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](O)C(N)=O ZINC000227869910 395870641 /nfs/dbraw/zinc/87/06/41/395870641.db2.gz FTZROYMRVSYYCM-RCOVLWMOSA-N 0 0 321.160 0.723 10 0 DCAERN O=C(NCCOc1ncccc1Cl)N1CCNC(=O)CC1 ZINC000119679167 395873935 /nfs/dbraw/zinc/87/39/35/395873935.db2.gz HJQLKJPGWUMYOD-UHFFFAOYSA-N 0 0 312.757 0.645 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)CCc1ccnn1C ZINC000119941337 395878778 /nfs/dbraw/zinc/87/87/78/395878778.db2.gz SKOAXSTXQLNTKS-UHFFFAOYSA-N 0 0 316.427 0.141 10 0 DCAERN CCC[C@H]1C[C@@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000121828590 395885369 /nfs/dbraw/zinc/88/53/69/395885369.db2.gz HELAITLWNMTYRV-TUAOUCFPSA-N 0 0 303.428 0.898 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cn1 ZINC000245673196 395934267 /nfs/dbraw/zinc/93/42/67/395934267.db2.gz FILZPAYVIJAKPA-OLZOCXBDSA-N 0 0 320.393 0.242 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CN(C(C)=O)C1 ZINC000249081765 396002272 /nfs/dbraw/zinc/00/22/72/396002272.db2.gz SOQREIYNZBRIFI-BNOWGMLFSA-N 0 0 308.378 0.797 10 0 DCAERN CN(C(=O)c1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCOC1 ZINC000135175104 395938016 /nfs/dbraw/zinc/93/80/16/395938016.db2.gz RCLVDKGKSQPJQQ-MRVPVSSYSA-N 0 0 318.782 0.848 10 0 DCAERN CN(C(=O)c1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCOC1 ZINC000135175120 395938243 /nfs/dbraw/zinc/93/82/43/395938243.db2.gz RCLVDKGKSQPJQQ-QMMMGPOBSA-N 0 0 318.782 0.848 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000246153982 395942663 /nfs/dbraw/zinc/94/26/63/395942663.db2.gz QNPXRIQRVFGXGQ-YUSALJHKSA-N 0 0 304.350 0.432 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000274410101 395945728 /nfs/dbraw/zinc/94/57/28/395945728.db2.gz GQCIENYOWYJBGN-OCCSQVGLSA-N 0 0 320.393 0.579 10 0 DCAERN CN(C)c1ccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)cn1 ZINC000274431184 395947603 /nfs/dbraw/zinc/94/76/03/395947603.db2.gz RZJGXTBMOYQFTR-INIZCTEOSA-N 0 0 320.393 0.849 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246836820 395958454 /nfs/dbraw/zinc/95/84/54/395958454.db2.gz ARPOMARRZBVCDZ-BFHYXJOUSA-N 0 0 303.362 0.885 10 0 DCAERN CCOC(OCC)[C@@](O)(CO)[C@H](O)c1ccc(OC)cc1 ZINC000145296304 395963904 /nfs/dbraw/zinc/96/39/04/395963904.db2.gz JYZUPSTWTSBMNO-UKRRQHHQSA-N 0 0 300.351 0.851 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1(=O)=O ZINC000247330152 395971443 /nfs/dbraw/zinc/97/14/43/395971443.db2.gz JCXOJNPYRWFLJK-UKRRQHHQSA-N 0 0 313.419 0.683 10 0 DCAERN COCc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150745118 395971649 /nfs/dbraw/zinc/97/16/49/395971649.db2.gz RJXHNGJJTFWBCY-UHFFFAOYSA-N 0 0 303.318 0.483 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1occc1Br ZINC000152145741 396000999 /nfs/dbraw/zinc/00/09/99/396000999.db2.gz SLYLVBZPDMXMQH-ZCFIWIBFSA-N 0 0 301.096 0.577 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)[C@H](C)CO ZINC000151163639 395980521 /nfs/dbraw/zinc/98/05/21/395980521.db2.gz YMOJFLWURRFFSK-NEPJUHHUSA-N 0 0 308.378 0.948 10 0 DCAERN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2CN(C)CCO2)cn1 ZINC000275385191 395985171 /nfs/dbraw/zinc/98/51/71/395985171.db2.gz MHVZXVDUDIMRGX-BFHYXJOUSA-N 0 0 308.382 0.087 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151499923 395986480 /nfs/dbraw/zinc/98/64/80/395986480.db2.gz PYXCWWOTKLCRGL-LBPRGKRZSA-N 0 0 307.398 0.421 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151502942 395986788 /nfs/dbraw/zinc/98/67/88/395986788.db2.gz KILUKIXMPFGJIL-OCCSQVGLSA-N 0 0 303.424 0.965 10 0 DCAERN CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000151559124 395988149 /nfs/dbraw/zinc/98/81/49/395988149.db2.gz SYFWLZLWJWOAQY-ZDUSSCGKSA-N 0 0 321.425 0.812 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CCO1 ZINC000248462843 395988637 /nfs/dbraw/zinc/98/86/37/395988637.db2.gz YOXACAQVXCNVFK-OLZOCXBDSA-N 0 0 300.305 0.445 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnn(C)c2Br)C1 ZINC000276263886 395989646 /nfs/dbraw/zinc/98/96/46/395989646.db2.gz XAGOJPOCPBKDNI-UHFFFAOYSA-N 0 0 301.144 0.143 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CN(C(C)=O)C1 ZINC000249081782 396001900 /nfs/dbraw/zinc/00/19/00/396001900.db2.gz SOQREIYNZBRIFI-XBFCOCLRSA-N 0 0 308.378 0.797 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@@](C)(O)CSC ZINC000248654299 395993008 /nfs/dbraw/zinc/99/30/08/395993008.db2.gz ZJKSAPHLJIXGRH-TZMCWYRMSA-N 0 0 304.456 0.718 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000248661099 395993336 /nfs/dbraw/zinc/99/33/36/395993336.db2.gz ZYKCIUCOPHSHBH-AGIUHOORSA-N 0 0 306.428 0.435 10 0 DCAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)NC1CCOCC1 ZINC000152183891 396001994 /nfs/dbraw/zinc/00/19/94/396001994.db2.gz JRWFIFYQVVLXND-HNNXBMFYSA-N 0 0 305.378 0.830 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000252662496 396024081 /nfs/dbraw/zinc/02/40/81/396024081.db2.gz ZSOAXOZYOOOQCY-QJPTWQEYSA-N 0 0 304.412 0.704 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153761311 396025832 /nfs/dbraw/zinc/02/58/32/396025832.db2.gz NRTLTYKTWMYKTC-VHSXEESVSA-N 0 0 302.338 0.501 10 0 DCAERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153767567 396025836 /nfs/dbraw/zinc/02/58/36/396025836.db2.gz BYGZTAFCBUHTMT-IJLUTSLNSA-N 0 0 319.365 0.997 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1CO ZINC000253414689 396027754 /nfs/dbraw/zinc/02/77/54/396027754.db2.gz YGDFRUWIIVNMQG-DZGCQCFKSA-N 0 0 320.389 0.441 10 0 DCAERN CC(=O)N1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1 ZINC000067711488 396031902 /nfs/dbraw/zinc/03/19/02/396031902.db2.gz RLBKGWTYORXDJW-UHFFFAOYSA-N 0 0 300.366 0.948 10 0 DCAERN Cc1nnc(CN2CCC[C@H](NS(C)(=O)=O)C2)n1C1CC1 ZINC000154869643 396044046 /nfs/dbraw/zinc/04/40/46/396044046.db2.gz CKWDNWYQQLHDJJ-NSHDSACASA-N 0 0 313.427 0.435 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)CNC(=O)NC1CCCCC1 ZINC000068137433 396047573 /nfs/dbraw/zinc/04/75/73/396047573.db2.gz HZWLIHLQQQZVDX-NSHDSACASA-N 0 0 308.386 0.415 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155379375 396050502 /nfs/dbraw/zinc/05/05/02/396050502.db2.gz JKGSLVNGXBAZCV-BDAKNGLRSA-N 0 0 303.409 0.589 10 0 DCAERN CCC[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000155402828 396051166 /nfs/dbraw/zinc/05/11/66/396051166.db2.gz IIQLUDXHRSKSGZ-NEPJUHHUSA-N 0 0 300.399 0.944 10 0 DCAERN CCn1cc(C2CCN(C(=O)NCC(=O)N(C)C)CC2)cn1 ZINC000155421216 396051910 /nfs/dbraw/zinc/05/19/10/396051910.db2.gz MOPNKXXHGKRADZ-UHFFFAOYSA-N 0 0 307.398 0.880 10 0 DCAERN Cc1ccccc1CNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155635874 396055297 /nfs/dbraw/zinc/05/52/97/396055297.db2.gz QFAVJLXRJYLHHI-ZDUSSCGKSA-N 0 0 310.419 0.730 10 0 DCAERN C[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC[S@@]1=O ZINC000277231549 396056373 /nfs/dbraw/zinc/05/63/73/396056373.db2.gz SWAOWZFJLPYFPI-VJBOLBCHSA-N 0 0 324.450 0.785 10 0 DCAERN COc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1F ZINC000155993154 396060266 /nfs/dbraw/zinc/06/02/66/396060266.db2.gz XZRVMZRZKGMMOQ-UHFFFAOYSA-N 0 0 307.281 0.484 10 0 DCAERN O=C(CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCCC1 ZINC000158045575 396064024 /nfs/dbraw/zinc/06/40/24/396064024.db2.gz VJBOWKYELDNDBF-CJNGLKHVSA-N 0 0 309.410 0.945 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000152296014 396005365 /nfs/dbraw/zinc/00/53/65/396005365.db2.gz LDSHVZPSNDHZID-VIFPVBQESA-N 0 0 324.303 0.636 10 0 DCAERN C[C@H](C(=O)Nc1cc(F)ccc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000249289341 396005521 /nfs/dbraw/zinc/00/55/21/396005521.db2.gz JXVYATSFWRFXNS-IEBDPFPHSA-N 0 0 300.305 0.719 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](C)n1nc(C)cc1C ZINC000249352629 396006616 /nfs/dbraw/zinc/00/66/16/396006616.db2.gz KPLZAGODLUYTJP-AGIUHOORSA-N 0 0 309.366 0.586 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152460558 396009627 /nfs/dbraw/zinc/00/96/27/396009627.db2.gz DUJXLSZCVZJTFG-ZDUSSCGKSA-N 0 0 306.366 0.771 10 0 DCAERN CC(C)[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)N1CCOCC1 ZINC000152718068 396014907 /nfs/dbraw/zinc/01/49/07/396014907.db2.gz XHQFQHAFTNUHFP-CQSZACIVSA-N 0 0 322.409 0.211 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000066911713 396016737 /nfs/dbraw/zinc/01/67/37/396016737.db2.gz OWEPHWGFCZIKAI-VHSXEESVSA-N 0 0 300.384 0.178 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)n1 ZINC000251913322 396018419 /nfs/dbraw/zinc/01/84/19/396018419.db2.gz RVRLWVBOFOXTAC-NWANDNLSSA-N 0 0 323.393 0.938 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCC1(C)COC1)CC2 ZINC000163252637 396086624 /nfs/dbraw/zinc/08/66/24/396086624.db2.gz HYLBMMTXCTYLGO-STQMWFEESA-N 0 0 312.410 0.984 10 0 DCAERN Cn1cc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cn1 ZINC000170788046 396097576 /nfs/dbraw/zinc/09/75/76/396097576.db2.gz AHMDCBQFKZVFMA-UHFFFAOYSA-N 0 0 300.366 0.819 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000170857485 396098806 /nfs/dbraw/zinc/09/88/06/396098806.db2.gz GRMTZCFMGSSUEV-CYBMUJFWSA-N 0 0 312.391 0.726 10 0 DCAERN Nc1cnn(CCn2cc(I)cn2)c1 ZINC000070677235 396102696 /nfs/dbraw/zinc/10/26/96/396102696.db2.gz UEMYCCFRSIWJDX-UHFFFAOYSA-N 0 0 303.107 0.967 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CCOC)cc1 ZINC000171102660 396107116 /nfs/dbraw/zinc/10/71/16/396107116.db2.gz ZHMMFXBJBYAZBA-SNVBAGLBSA-N 0 0 300.380 0.750 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)n1 ZINC000262210819 396111051 /nfs/dbraw/zinc/11/10/51/396111051.db2.gz IURNJKHBHMTAHS-UGFHNGPFSA-N 0 0 321.425 0.510 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000171300618 396113334 /nfs/dbraw/zinc/11/33/34/396113334.db2.gz AUDCQJHZSLFHJY-LBPRGKRZSA-N 0 0 305.382 0.137 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCS1 ZINC000171571941 396118538 /nfs/dbraw/zinc/11/85/38/396118538.db2.gz RUAGCLUMPCXTIO-JTQLQIEISA-N 0 0 319.386 0.654 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N[C@H]1CCCOC1 ZINC000171624748 396120605 /nfs/dbraw/zinc/12/06/05/396120605.db2.gz LVODPACSBFXNST-ZDUSSCGKSA-N 0 0 318.377 0.916 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000171705798 396122335 /nfs/dbraw/zinc/12/23/35/396122335.db2.gz YRLVNNKUOXOVSN-SNVBAGLBSA-N 0 0 310.329 0.377 10 0 DCAERN COCCNC(=O)CNC(=O)c1ccc(-c2ncon2)cc1 ZINC000171735008 396123320 /nfs/dbraw/zinc/12/33/20/396123320.db2.gz PIPJXKKQCNMUMO-UHFFFAOYSA-N 0 0 304.306 0.229 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)CCCOC ZINC000171768041 396124096 /nfs/dbraw/zinc/12/40/96/396124096.db2.gz HGCXTANMRBDJNL-GFCCVEGCSA-N 0 0 306.428 0.686 10 0 DCAERN Cn1cc(NC(=O)c2cc3c(s2)CCOC3)c(=O)n(C)c1=O ZINC000173086189 396134357 /nfs/dbraw/zinc/13/43/57/396134357.db2.gz YRJDRUDAMDQPCQ-UHFFFAOYSA-N 0 0 321.358 0.471 10 0 DCAERN C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)CC[S@](=O)C1 ZINC000277570386 396074948 /nfs/dbraw/zinc/07/49/48/396074948.db2.gz BAYAPTSIAIONFW-IFMYKAFSSA-N 0 0 324.450 0.643 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000261909981 396078333 /nfs/dbraw/zinc/07/83/33/396078333.db2.gz IUSPITYMCUKKLO-DOMZBBRYSA-N 0 0 307.369 0.851 10 0 DCAERN CN[C@H](C(=O)N[C@H](C)Cc1c(C)nn(C)c1C)c1cnn(C)c1 ZINC000262508258 396148378 /nfs/dbraw/zinc/14/83/78/396148378.db2.gz JHGRRMJTHCGXKK-BMIGLBTASA-N 0 0 318.425 0.778 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCS(C)(=O)=O ZINC000176112704 396149742 /nfs/dbraw/zinc/14/97/42/396149742.db2.gz JUXDATHNISZPHD-GFCCVEGCSA-N 0 0 314.411 0.410 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000176327700 396153697 /nfs/dbraw/zinc/15/36/97/396153697.db2.gz ZDSYDPZVMPDBCM-UWVGGRQHSA-N 0 0 308.386 0.451 10 0 DCAERN Cc1nc(CNC(=O)NCCNC(=O)c2ccc(F)cc2)no1 ZINC000176579607 396157257 /nfs/dbraw/zinc/15/72/57/396157257.db2.gz YXUWCQMHIVKSLH-UHFFFAOYSA-N 0 0 321.312 0.746 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCNC(=O)C1CCC1 ZINC000177031076 396164216 /nfs/dbraw/zinc/16/42/16/396164216.db2.gz XXEKJEHGFOLFFR-LLVKDONJSA-N 0 0 321.377 0.821 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000177152154 396167856 /nfs/dbraw/zinc/16/78/56/396167856.db2.gz KWPQEUTYAWSMQS-CYBMUJFWSA-N 0 0 318.377 0.722 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(CNC(N)=O)cc2)n1 ZINC000263279453 396210922 /nfs/dbraw/zinc/21/09/22/396210922.db2.gz UAAHVPNCCLMDDG-GFCCVEGCSA-N 0 0 316.365 0.481 10 0 DCAERN CNC(=O)c1ccc(NCCNC(=O)c2ccc(C)cc2)nn1 ZINC000074750168 396171481 /nfs/dbraw/zinc/17/14/81/396171481.db2.gz TZEUEUQUSBFWEG-UHFFFAOYSA-N 0 0 313.361 0.987 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000177523824 396177993 /nfs/dbraw/zinc/17/79/93/396177993.db2.gz XJGWLFQODOTJEC-YGRLFVJLSA-N 0 0 307.354 0.188 10 0 DCAERN CC[C@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)N1CCCC1=O ZINC000075250986 396178741 /nfs/dbraw/zinc/17/87/41/396178741.db2.gz GXDWOLXOMVVWOY-UMSGYPCISA-N 0 0 307.394 0.513 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000177626779 396180186 /nfs/dbraw/zinc/18/01/86/396180186.db2.gz VXZIDCJKCDPKEG-GFCCVEGCSA-N 0 0 313.361 0.965 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177635480 396180392 /nfs/dbraw/zinc/18/03/92/396180392.db2.gz FCQXAAFKYUNOAK-JTQLQIEISA-N 0 0 317.324 0.795 10 0 DCAERN CC(C)N1CCC[C@H](N2CCN(c3cccnn3)CC2)C1=O ZINC000177700243 396181835 /nfs/dbraw/zinc/18/18/35/396181835.db2.gz JKSYXBJVEANWLA-AWEZNQCLSA-N 0 0 303.410 0.998 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000177789778 396183819 /nfs/dbraw/zinc/18/38/19/396183819.db2.gz OYKRZRWKAOARSB-QWRGUYRKSA-N 0 0 305.378 0.704 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000262987442 396196547 /nfs/dbraw/zinc/19/65/47/396196547.db2.gz NHWVFKVSPBPGMM-LBPRGKRZSA-N 0 0 311.332 0.758 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CC(F)(F)CN1 ZINC000263053785 396199810 /nfs/dbraw/zinc/19/98/10/396199810.db2.gz UTEFCXIWXDURKW-JTQLQIEISA-N 0 0 310.304 0.443 10 0 DCAERN CC(=O)N(C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000076247934 396199899 /nfs/dbraw/zinc/19/98/99/396199899.db2.gz WBLKTADSIQBUNS-QWHCGFSZSA-N 0 0 300.424 0.978 10 0 DCAERN CN1CC(=O)N(CCCC(=O)NCCCc2ccccn2)C1=O ZINC000178633097 396202242 /nfs/dbraw/zinc/20/22/42/396202242.db2.gz QPCNCYLOMSRMBD-UHFFFAOYSA-N 0 0 318.377 0.805 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCC[C@H]1CCCCO1)c2=O ZINC000181617987 396240808 /nfs/dbraw/zinc/24/08/08/396240808.db2.gz FKQXTCRETSCEJB-LLVKDONJSA-N 0 0 319.365 0.205 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H](C)C[S@@](C)=O)cnc12 ZINC000181700256 396241517 /nfs/dbraw/zinc/24/15/17/396241517.db2.gz AJMBQIYKLMTHPO-CHNSCGDPSA-N 0 0 307.375 0.500 10 0 DCAERN Cc1cc(NC(=O)C(=O)NCCCn2ccnn2)ccc1F ZINC000181779204 396242106 /nfs/dbraw/zinc/24/21/06/396242106.db2.gz MJPXMVBOBWMQJG-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181776630 396242359 /nfs/dbraw/zinc/24/23/59/396242359.db2.gz RAFHYBHYWWMUJI-UHFFFAOYSA-N 0 0 319.369 0.420 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000078351136 396243263 /nfs/dbraw/zinc/24/32/63/396243263.db2.gz NTNJAXOSPCPBSN-ZDUSSCGKSA-N 0 0 317.455 0.763 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@@H](C)C[S@](C)=O ZINC000182117805 396247062 /nfs/dbraw/zinc/24/70/62/396247062.db2.gz WYRHVVFDRXOGEU-QKVFXAPYSA-N 0 0 310.419 0.950 10 0 DCAERN NC(=O)c1cccc(CNC(=O)NCCCn2ccnn2)c1 ZINC000182159078 396247971 /nfs/dbraw/zinc/24/79/71/396247971.db2.gz WBNUWVBJVOWDRH-UHFFFAOYSA-N 0 0 302.338 0.267 10 0 DCAERN C[C@H](CC(=O)NCCCn1ccnn1)NC(=O)C1CCCC1 ZINC000182727442 396253497 /nfs/dbraw/zinc/25/34/97/396253497.db2.gz XDLOUBGEABZSOU-GFCCVEGCSA-N 0 0 307.398 0.869 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000182732989 396253586 /nfs/dbraw/zinc/25/35/86/396253586.db2.gz KQCUVUYIOQTXTN-ZDUSSCGKSA-N 0 0 307.398 0.823 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCCn3ccnn3)cnc12 ZINC000182915279 396256662 /nfs/dbraw/zinc/25/66/62/396256662.db2.gz RLTIIFRHVHEANW-UHFFFAOYSA-N 0 0 312.333 0.415 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cccnn2)CC1 ZINC000183040986 396258842 /nfs/dbraw/zinc/25/88/42/396258842.db2.gz CMIMGBKWBHEYRE-AWEZNQCLSA-N 0 0 319.409 0.676 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000183109111 396261410 /nfs/dbraw/zinc/26/14/10/396261410.db2.gz WZQNJMNGKIIYBV-CABCVRRESA-N 0 0 322.409 0.661 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)N[C@@H]3CCc4ncnn4C3)cc2)n1 ZINC000183775365 396274493 /nfs/dbraw/zinc/27/44/93/396274493.db2.gz FQBUJSGGSVVSGE-CYBMUJFWSA-N 0 0 323.360 0.818 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(c2cc(OC)ncn2)CC1 ZINC000184073164 396283166 /nfs/dbraw/zinc/28/31/66/396283166.db2.gz QHQSSNJJWBEHRM-UHFFFAOYSA-N 0 0 321.425 0.912 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184069126 396283212 /nfs/dbraw/zinc/28/32/12/396283212.db2.gz FFJCLFNKJWMELM-LLVKDONJSA-N 0 0 321.402 0.792 10 0 DCAERN O=C(CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)NCC1CC1 ZINC000183796482 396275122 /nfs/dbraw/zinc/27/51/22/396275122.db2.gz PSIZOSUBRMDSNO-UKRRQHHQSA-N 0 0 303.362 0.470 10 0 DCAERN O=C(CN1CCCN(c2ccccn2)CC1)N1CCNC1=O ZINC000183807411 396275564 /nfs/dbraw/zinc/27/55/64/396275564.db2.gz YMNOAOIJXGFWEV-UHFFFAOYSA-N 0 0 303.366 0.146 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000183970059 396279245 /nfs/dbraw/zinc/27/92/45/396279245.db2.gz DTNJMPMQGXYSOK-UHFFFAOYSA-N 0 0 324.468 0.472 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)[C@@H]2CC(F)(F)CN2)CCCC1 ZINC000263317951 396213426 /nfs/dbraw/zinc/21/34/26/396213426.db2.gz ZTQDJTVBHCUMGM-JTQLQIEISA-N 0 0 303.353 0.748 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)CN1CCCC1=O ZINC000080421906 396280065 /nfs/dbraw/zinc/28/00/65/396280065.db2.gz YXXUMLPWLBQHKE-ZDUSSCGKSA-N 0 0 317.389 0.852 10 0 DCAERN CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178990794 396217623 /nfs/dbraw/zinc/21/76/23/396217623.db2.gz FJAFWJRKKXTSLA-AAEUAGOBSA-N 0 0 312.391 0.567 10 0 DCAERN CCOC1(C)CN(C(=O)NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263495082 396219136 /nfs/dbraw/zinc/21/91/36/396219136.db2.gz SOTQBHWJOFUDQH-UHFFFAOYSA-N 0 0 313.398 0.744 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179185011 396224149 /nfs/dbraw/zinc/22/41/49/396224149.db2.gz GKWANHCXOAJQNP-ZJUUUORDSA-N 0 0 302.733 0.845 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O ZINC000179686366 396228964 /nfs/dbraw/zinc/22/89/64/396228964.db2.gz ONBHXNWQKPKMLB-SNVBAGLBSA-N 0 0 318.782 0.523 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000077747210 396230607 /nfs/dbraw/zinc/23/06/07/396230607.db2.gz FCTSJYDAZHHQER-LDYMZIIASA-N 0 0 303.297 0.870 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000077772732 396232603 /nfs/dbraw/zinc/23/26/03/396232603.db2.gz PKZCDKJRSUNBLY-STQMWFEESA-N 0 0 322.409 0.734 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCCNC(=O)N(C)C)C(C)C ZINC000180627782 396233520 /nfs/dbraw/zinc/23/35/20/396233520.db2.gz LQAJFWCUCAIWDQ-CYBMUJFWSA-N 0 0 314.430 0.561 10 0 DCAERN CCCCOCCNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000184973790 396312233 /nfs/dbraw/zinc/31/22/33/396312233.db2.gz MVFKKOGQKANBTO-AWEZNQCLSA-N 0 0 301.431 0.901 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ccc3nnc(C)n3n2)CC1 ZINC000080693908 396284204 /nfs/dbraw/zinc/28/42/04/396284204.db2.gz CUGUXHXJWUILOV-UHFFFAOYSA-N 0 0 305.338 0.327 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)c1 ZINC000080711842 396284986 /nfs/dbraw/zinc/28/49/86/396284986.db2.gz ASGMNGPNLLFAII-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(N3CCOCC3)ccn2)CC(=O)N1C ZINC000282396626 396287224 /nfs/dbraw/zinc/28/72/24/396287224.db2.gz OTCQSZCRHFSFOY-GFCCVEGCSA-N 0 0 318.377 0.221 10 0 DCAERN COc1ccc(N2C[C@@H](C(=O)N3CC(CO)C3)CC2=O)cc1 ZINC000184220070 396288452 /nfs/dbraw/zinc/28/84/52/396288452.db2.gz JFYBZXGHCJGQEL-LBPRGKRZSA-N 0 0 304.346 0.499 10 0 DCAERN Cc1cccc2c(=O)n(CCC(=O)N3CC(CO)C3)cnc12 ZINC000184223092 396288490 /nfs/dbraw/zinc/28/84/90/396288490.db2.gz DHFDUXQMZGYCIW-UHFFFAOYSA-N 0 0 301.346 0.546 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCO[C@]3(CCOC3)C2)cnn1C ZINC000184410807 396294281 /nfs/dbraw/zinc/29/42/81/396294281.db2.gz CXFUGHVLSGHOJV-IAQYHMDHSA-N 0 0 308.382 0.990 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184399048 396294344 /nfs/dbraw/zinc/29/43/44/396294344.db2.gz MXIZJZSQTADGHQ-MRXNPFEDSA-N 0 0 320.393 0.849 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)Nc1cccc(F)c1 ZINC000184412701 396294566 /nfs/dbraw/zinc/29/45/66/396294566.db2.gz FNICRAFEXQJRAL-CABZTGNLSA-N 0 0 316.354 0.861 10 0 DCAERN O=C(CN1CCN(C[C@@H](O)C(F)(F)F)CC1)N1CCCCC1 ZINC000185143717 396319937 /nfs/dbraw/zinc/31/99/37/396319937.db2.gz BGOUGKBWVFHBRZ-GFCCVEGCSA-N 0 0 323.359 0.540 10 0 DCAERN COc1cccc2c1nc(NC(=O)[C@@H]1CC(=O)N(C)C1)n2C ZINC000184479489 396296653 /nfs/dbraw/zinc/29/66/53/396296653.db2.gz MHLBDJLDIFGCOL-SECBINFHSA-N 0 0 302.334 0.999 10 0 DCAERN C[C@H](NCc1nc(N)nc(N)n1)c1cn(-c2ccccc2)nn1 ZINC000185463870 396327985 /nfs/dbraw/zinc/32/79/85/396327985.db2.gz UTKGNKHFSNYSAR-VIFPVBQESA-N 0 0 311.353 0.468 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(C)cc2)C1 ZINC000185447240 396328189 /nfs/dbraw/zinc/32/81/89/396328189.db2.gz KCWZNEMYYOYXQQ-UHFFFAOYSA-N 0 0 305.378 0.694 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000185677303 396332491 /nfs/dbraw/zinc/33/24/91/396332491.db2.gz ZCZFKGDCQRELTK-VXGBXAGGSA-N 0 0 306.428 0.612 10 0 DCAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1c(C)noc1C ZINC000185731184 396333689 /nfs/dbraw/zinc/33/36/89/396333689.db2.gz SREZIACYADSZET-LBPRGKRZSA-N 0 0 324.381 0.899 10 0 DCAERN CCOCCONC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000185474570 396328804 /nfs/dbraw/zinc/32/88/04/396328804.db2.gz GPTDBFAINUKGHM-LLVKDONJSA-N 0 0 311.386 0.984 10 0 DCAERN CNC(=O)CC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000185906847 396336373 /nfs/dbraw/zinc/33/63/73/396336373.db2.gz UXVNUEJECGXIBQ-UHFFFAOYSA-N 0 0 305.378 0.271 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c32)CCS1(=O)=O ZINC000265689472 396337358 /nfs/dbraw/zinc/33/73/58/396337358.db2.gz MVQCGROQHHODTF-MRVPVSSYSA-N 0 0 311.338 0.961 10 0 DCAERN CC(=O)N1CCCc2ccc(S(=O)(=O)N3CC(CO)C3)cc21 ZINC000185757843 396334371 /nfs/dbraw/zinc/33/43/71/396334371.db2.gz SZOOLQVQQBAUJN-UHFFFAOYSA-N 0 0 324.402 0.599 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CCS1(=O)=O ZINC000265665794 396335214 /nfs/dbraw/zinc/33/52/14/396335214.db2.gz GBQWERXYPIWRPI-SNVBAGLBSA-N 0 0 307.375 0.751 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)CCC1=O ZINC000265673802 396336185 /nfs/dbraw/zinc/33/61/85/396336185.db2.gz BZPZATDMGWTALY-JTQLQIEISA-N 0 0 303.318 0.368 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc21 ZINC000284167705 396344825 /nfs/dbraw/zinc/34/48/25/396344825.db2.gz RJJHHXRXOSQDFP-GJZGRUSLSA-N 0 0 315.377 0.513 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000186234711 396345573 /nfs/dbraw/zinc/34/55/73/396345573.db2.gz SVFXIIWIUAWSBM-ZDUSSCGKSA-N 0 0 306.366 0.723 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ccncc2Br)C1 ZINC000284675408 396346344 /nfs/dbraw/zinc/34/63/44/396346344.db2.gz WVDGZQUBGKDTRQ-XVKPBYJWSA-N 0 0 300.156 0.923 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)c(C)c1 ZINC000285000637 396347471 /nfs/dbraw/zinc/34/74/71/396347471.db2.gz MAHAJKRPSRCIEM-AWEZNQCLSA-N 0 0 322.390 0.704 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000265753858 396341393 /nfs/dbraw/zinc/34/13/93/396341393.db2.gz PTGRFTRJKKGGES-NWDGAFQWSA-N 0 0 315.381 0.905 10 0 DCAERN CCc1cc(N2CCC[C@H](NC(=O)CC(=O)NC)C2)ncn1 ZINC000186116904 396341902 /nfs/dbraw/zinc/34/19/02/396341902.db2.gz KTIRCNGWGBQNHO-LBPRGKRZSA-N 0 0 305.382 0.260 10 0 DCAERN CC(=O)c1cn(CCCC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000186617871 396353745 /nfs/dbraw/zinc/35/37/45/396353745.db2.gz DAAUEINLQTZTHQ-UHFFFAOYSA-N 0 0 310.350 0.872 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000186617416 396353969 /nfs/dbraw/zinc/35/39/69/396353969.db2.gz AQTCUUYSAVJNEC-SNVBAGLBSA-N 0 0 322.381 0.911 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)co1 ZINC000187805942 396374310 /nfs/dbraw/zinc/37/43/10/396374310.db2.gz MXLAQRSIEAOUMZ-KOLCDFICSA-N 0 0 316.379 0.685 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)CNC(=O)c2ccccn2)C1 ZINC000187056652 396362459 /nfs/dbraw/zinc/36/24/59/396362459.db2.gz PAPSJDUPXALCSJ-MRXNPFEDSA-N 0 0 305.378 0.823 10 0 DCAERN O=C(c1ccccc1-n1cnnn1)N1CCO[C@]2(CCOC2)C1 ZINC000187145658 396364673 /nfs/dbraw/zinc/36/46/73/396364673.db2.gz BSQFIQFXVWJKER-OAHLLOKOSA-N 0 0 315.333 0.294 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](OC)C2)co1 ZINC000187806003 396374883 /nfs/dbraw/zinc/37/48/83/396374883.db2.gz MXLAQRSIEAOUMZ-GXSJLCMTSA-N 0 0 316.379 0.685 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187186045 396365047 /nfs/dbraw/zinc/36/50/47/396365047.db2.gz WSAKGDHKBDVSCF-SECBINFHSA-N 0 0 305.382 0.710 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000187270652 396366629 /nfs/dbraw/zinc/36/66/29/396366629.db2.gz QTODHVNKAPSSJB-SNVBAGLBSA-N 0 0 307.354 0.674 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000285986933 396367724 /nfs/dbraw/zinc/36/77/24/396367724.db2.gz MNTXKSMJLKKMTH-VIFPVBQESA-N 0 0 313.301 0.416 10 0 DCAERN CNC(=O)CC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000187576580 396371430 /nfs/dbraw/zinc/37/14/30/396371430.db2.gz KLNVRNVDDJLMQJ-UHFFFAOYSA-N 0 0 319.409 0.693 10 0 DCAERN CCCCCN(CC(N)=O)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187575858 396371812 /nfs/dbraw/zinc/37/18/12/396371812.db2.gz FRNRZILHQZVCRQ-UHFFFAOYSA-N 0 0 317.349 0.436 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000187843299 396375289 /nfs/dbraw/zinc/37/52/89/396375289.db2.gz AGLBHAZUJPCPLL-VXGBXAGGSA-N 0 0 308.386 0.491 10 0 DCAERN C[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713201 396372948 /nfs/dbraw/zinc/37/29/48/396372948.db2.gz LNULWYNJYFHZEH-LBPRGKRZSA-N 0 0 305.382 0.574 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000285365752 396349281 /nfs/dbraw/zinc/34/92/81/396349281.db2.gz FCLPSFXRNTZOEO-MLGOLLRUSA-N 0 0 304.346 0.077 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@H]2C)o1 ZINC000265908178 396349378 /nfs/dbraw/zinc/34/93/78/396349378.db2.gz XPKBXHWYFUZXGR-RKDXNWHRSA-N 0 0 302.352 0.437 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188437404 396382297 /nfs/dbraw/zinc/38/22/97/396382297.db2.gz CLVCUASXJLJARQ-UHFFFAOYSA-N 0 0 323.397 0.365 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000188482560 396382508 /nfs/dbraw/zinc/38/25/08/396382508.db2.gz KHTGFVQGSVHCAJ-LBPRGKRZSA-N 0 0 305.382 0.311 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(Cc3nccn3C)CC2)C1 ZINC000188602117 396383593 /nfs/dbraw/zinc/38/35/93/396383593.db2.gz WUDPJSHGSBCPDD-UHFFFAOYSA-N 0 0 304.394 0.680 10 0 DCAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)Cn1cccn1 ZINC000188818330 396386987 /nfs/dbraw/zinc/38/69/87/396386987.db2.gz BIDOINWSOTYDDA-LBPRGKRZSA-N 0 0 319.409 0.829 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1CCO ZINC000188811063 396387397 /nfs/dbraw/zinc/38/73/97/396387397.db2.gz QIMPSKXWCFVXQC-DOMZBBRYSA-N 0 0 318.373 0.293 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000188923856 396388577 /nfs/dbraw/zinc/38/85/77/396388577.db2.gz WGZVTQFDKUJPHP-LLVKDONJSA-N 0 0 310.398 0.117 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000189054588 396390552 /nfs/dbraw/zinc/39/05/52/396390552.db2.gz TWXVSKLDVUYVJA-UHFFFAOYSA-N 0 0 317.415 0.512 10 0 DCAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCO[C@@H](CO)C1 ZINC000269166146 396390703 /nfs/dbraw/zinc/39/07/03/396390703.db2.gz FTJJPOHXDXHHHO-MGPQQGTHSA-N 0 0 319.357 0.781 10 0 DCAERN CCCN1CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1=O ZINC000189055067 396390718 /nfs/dbraw/zinc/39/07/18/396390718.db2.gz YEQZPGRBHOPBRX-UHFFFAOYSA-N 0 0 306.366 0.471 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189778086 396399037 /nfs/dbraw/zinc/39/90/37/396399037.db2.gz MHLQNPLVFPYYDJ-AWEZNQCLSA-N 0 0 319.409 0.625 10 0 DCAERN Cc1cn2c(ncc(C(=O)N3CCCN(C)C(=O)C3)c2=O)s1 ZINC000189794578 396399656 /nfs/dbraw/zinc/39/96/56/396399656.db2.gz NBZVMLDZPWMILD-UHFFFAOYSA-N 0 0 320.374 0.369 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)n[nH]1 ZINC000189787291 396399743 /nfs/dbraw/zinc/39/97/43/396399743.db2.gz HVARKSZQNXTRDU-UHFFFAOYSA-N 0 0 316.365 0.381 10 0 DCAERN O=C(N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@]1(O)CCSC1 ZINC000189968419 396400708 /nfs/dbraw/zinc/40/07/08/396400708.db2.gz AHAWPUYDTIAMQE-OAHLLOKOSA-N 0 0 322.434 0.804 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000190171478 396402667 /nfs/dbraw/zinc/40/26/67/396402667.db2.gz JTDKPRWZSPBDIC-DJLDLDEBSA-N 0 0 303.302 0.493 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)NCCc1c(C)nn(C)c1C ZINC000190144923 396402997 /nfs/dbraw/zinc/40/29/97/396402997.db2.gz MUJDOJXSDAPOFS-NSHDSACASA-N 0 0 309.414 0.745 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1c[nH]c(=S)[nH]1 ZINC000193111350 396444532 /nfs/dbraw/zinc/44/45/32/396444532.db2.gz JYYVVIKJDQSKCW-SECBINFHSA-N 0 0 317.374 0.738 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)n[nH]1 ZINC000190544035 396407599 /nfs/dbraw/zinc/40/75/99/396407599.db2.gz IHWZQPMSRAYCNL-NEPJUHHUSA-N 0 0 314.411 0.347 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCCN(C)C(=O)C1 ZINC000191154949 396416131 /nfs/dbraw/zinc/41/61/31/396416131.db2.gz QWKYCPBWJLNWJV-LLVKDONJSA-N 0 0 318.377 0.277 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2CCO[C@H]2C)s1 ZINC000287689534 396416376 /nfs/dbraw/zinc/41/63/76/396416376.db2.gz FDNQHDGISYEZQX-XPUUQOCRSA-N 0 0 305.381 0.557 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cccc3[nH]ccc32)CC1=O ZINC000191517552 396420270 /nfs/dbraw/zinc/42/02/70/396420270.db2.gz UVFQHXCGGJASOE-UHFFFAOYSA-N 0 0 300.318 0.755 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191544198 396421292 /nfs/dbraw/zinc/42/12/92/396421292.db2.gz SMACHGVFGQGAFW-HZMBPMFUSA-N 0 0 321.352 0.567 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NCc2ccc(C3CC3)cc2)CCO1 ZINC000191594015 396422158 /nfs/dbraw/zinc/42/21/58/396422158.db2.gz TUPDYJIYOHJNAX-AWEZNQCLSA-N 0 0 303.362 0.960 10 0 DCAERN CN1CCCN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1=O ZINC000191923914 396427044 /nfs/dbraw/zinc/42/70/44/396427044.db2.gz NKYVSNSOMGSMQI-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CCCO1 ZINC000287911846 396430447 /nfs/dbraw/zinc/43/04/47/396430447.db2.gz VJLWTCOLMQWPLW-RYUDHWBXSA-N 0 0 321.381 0.257 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(C)Cc2ccccc2C1 ZINC000192238925 396430715 /nfs/dbraw/zinc/43/07/15/396430715.db2.gz STYRQPPJNNTARV-HUUCEWRRSA-N 0 0 302.374 0.642 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2nc(C)sc2C)CC1 ZINC000269691676 396437334 /nfs/dbraw/zinc/43/73/34/396437334.db2.gz FQKDVSNJZABEER-UHFFFAOYSA-N 0 0 310.423 0.654 10 0 DCAERN COc1ccnc(NC2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000192858171 396439031 /nfs/dbraw/zinc/43/90/31/396439031.db2.gz ZBIBMQXXHBZGDV-SNVBAGLBSA-N 0 0 318.385 0.646 10 0 DCAERN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000268973521 396379684 /nfs/dbraw/zinc/37/96/84/396379684.db2.gz OENSDNUCOUYWNS-KFWWJZLASA-N 0 0 322.430 0.778 10 0 DCAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N[C@H]1CCc2ncnn2C1 ZINC000268979544 396379784 /nfs/dbraw/zinc/37/97/84/396379784.db2.gz MNSDXCCKHUCGBF-WDEREUQCSA-N 0 0 301.354 0.693 10 0 DCAERN CS(=O)(=O)N1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000286186573 396379797 /nfs/dbraw/zinc/37/97/97/396379797.db2.gz QNFDDPROLGJMBL-UHFFFAOYSA-N 0 0 310.354 0.851 10 0 DCAERN CCCCCCOCC(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000372273778 396502552 /nfs/dbraw/zinc/50/25/52/396502552.db2.gz LWLWXBOERXJLQB-UHFFFAOYSA-N 0 0 306.428 0.863 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000289252393 396457583 /nfs/dbraw/zinc/45/75/83/396457583.db2.gz BCUVQFXATOXDTB-UHFFFAOYSA-N 0 0 316.383 0.054 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccccc2N)C[C@H](C)S1(=O)=O ZINC000289452442 396460355 /nfs/dbraw/zinc/46/03/55/396460355.db2.gz GBHXSWIBKKKVLY-UWVGGRQHSA-N 0 0 318.420 0.465 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)co1 ZINC000270169956 396462386 /nfs/dbraw/zinc/46/23/86/396462386.db2.gz KXKYNPOSKUQUFP-IUCAKERBSA-N 0 0 302.352 0.437 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@H]1Cn1ccnc1 ZINC000290478922 396466578 /nfs/dbraw/zinc/46/65/78/396466578.db2.gz VGKDDIZQHSOMAM-ZQDZILKHSA-N 0 0 305.378 0.926 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371834638 396478183 /nfs/dbraw/zinc/47/81/83/396478183.db2.gz LSALZHXHCDTPAB-ZDUSSCGKSA-N 0 0 319.361 0.177 10 0 DCAERN CCN(C[C@H](C)OC)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000291198843 396480925 /nfs/dbraw/zinc/48/09/25/396480925.db2.gz HIOWBNHAZGJPSW-LBPRGKRZSA-N 0 0 320.393 0.515 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000371981734 396481741 /nfs/dbraw/zinc/48/17/41/396481741.db2.gz VHRXFXQUFWUPLA-AWEZNQCLSA-N 0 0 319.409 0.374 10 0 DCAERN O=C(NCC1(N2CCOCC2)CC1)c1cn2cccnc2n1 ZINC000519502091 396519943 /nfs/dbraw/zinc/51/99/43/396519943.db2.gz XXWMKEKAALEGIP-UHFFFAOYSA-N 0 0 301.350 0.324 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2nnn(C)n2)C[C@@H](c2ccccc2)O1 ZINC000373337322 396585270 /nfs/dbraw/zinc/58/52/70/396585270.db2.gz MOBKMEKHZJSMEB-YPMHNXCESA-N 0 0 316.365 0.882 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000562032316 396650750 /nfs/dbraw/zinc/65/07/50/396650750.db2.gz ARQRWUXGUHEABA-CABCVRRESA-N 0 0 323.437 0.614 10 0 DCAERN COCCOCCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373417151 396589617 /nfs/dbraw/zinc/58/96/17/396589617.db2.gz KSWCBYUSCRTVBL-HNNXBMFYSA-N 0 0 316.398 0.629 10 0 DCAERN O=C(C(=O)N1CCO[C@H](C2CC2)C1)N1CCO[C@H](C2CC2)C1 ZINC000581919691 396593008 /nfs/dbraw/zinc/59/30/08/396593008.db2.gz PQNHIIKQFSRKOL-KBPBESRZSA-N 0 0 308.378 0.261 10 0 DCAERN Cn1cnnc1CCNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000532392650 396600491 /nfs/dbraw/zinc/60/04/91/396600491.db2.gz BKEDMEPJZLLGBK-UHFFFAOYSA-N 0 0 311.349 0.433 10 0 DCAERN NC(=O)NC1(C(=O)NCC[C@@H]2COc3ccccc3O2)CC1 ZINC000560402444 396613106 /nfs/dbraw/zinc/61/31/06/396613106.db2.gz GFCBWGQNQQCXHP-SNVBAGLBSA-N 0 0 305.334 0.534 10 0 DCAERN CC(=O)N1CCCN(C(=O)Nc2nccc(N(C)C)n2)CC1 ZINC000373928000 396624695 /nfs/dbraw/zinc/62/46/95/396624695.db2.gz HVZXDBHSXAVCCI-UHFFFAOYSA-N 0 0 306.370 0.629 10 0 DCAERN O=c1cnc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3O)ccc2[nH]1 ZINC000294162448 396657540 /nfs/dbraw/zinc/65/75/40/396657540.db2.gz INWMIFXKTIIVGY-YPMHNXCESA-N 0 0 323.374 0.917 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCOCC[C@H]1C ZINC000374005041 396630099 /nfs/dbraw/zinc/63/00/99/396630099.db2.gz BVSKDIQGBICTSQ-MRVPVSSYSA-N 0 0 302.352 0.486 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000374099691 396639033 /nfs/dbraw/zinc/63/90/33/396639033.db2.gz BBTRZAINSFIRKT-MNQBEEPXSA-N 0 0 324.421 0.807 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)Nc1nccs1 ZINC000585821050 396661445 /nfs/dbraw/zinc/66/14/45/396661445.db2.gz RUZUUACYZVBTSW-UHFFFAOYSA-N 0 0 304.397 0.690 10 0 DCAERN CN(Cc1ccco1)C(=O)NCCCN1CCCS1(=O)=O ZINC000586613759 396661455 /nfs/dbraw/zinc/66/14/55/396661455.db2.gz MJFQMROAXOJJRK-UHFFFAOYSA-N 0 0 315.395 0.847 10 0 DCAERN CCOCCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000586594581 396661570 /nfs/dbraw/zinc/66/15/70/396661570.db2.gz JDAIVFPMLZXZAV-UHFFFAOYSA-N 0 0 321.443 0.528 10 0 DCAERN COCCCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000587119645 396671288 /nfs/dbraw/zinc/67/12/88/396671288.db2.gz XSDOQSMFRMTWAQ-UHFFFAOYSA-N 0 0 321.443 0.528 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H](c3nnc[nH]3)C2)C[C@@H](C)O1 ZINC000374545945 396671523 /nfs/dbraw/zinc/67/15/23/396671523.db2.gz OPCCYCRXHIAFNB-UPJWGTAASA-N 0 0 307.398 0.620 10 0 DCAERN O=C(CSc1nnc2ccccn21)N1CC(n2ccnn2)C1 ZINC000374661527 396679320 /nfs/dbraw/zinc/67/93/20/396679320.db2.gz ICKQFFMCHZIQKQ-UHFFFAOYSA-N 0 0 315.362 0.496 10 0 DCAERN COCCN1CCN(C(=O)NCCOCC2CCC2)CC1=O ZINC000562820185 396681883 /nfs/dbraw/zinc/68/18/83/396681883.db2.gz WZWPPYHXAVBWIO-UHFFFAOYSA-N 0 0 313.398 0.303 10 0 DCAERN O=S(=O)(N[C@@H]1COC[C@H]1O)c1c(Cl)nc2ccccn21 ZINC000295351703 396693611 /nfs/dbraw/zinc/69/36/11/396693611.db2.gz OEPPBBCKKRDOBJ-HTQZYQBOSA-N 0 0 317.754 0.026 10 0 DCAERN COCCOc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000374966994 396701651 /nfs/dbraw/zinc/70/16/51/396701651.db2.gz YEFVOTMUSZLCPZ-HNNXBMFYSA-N 0 0 320.389 0.868 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000589233858 396709277 /nfs/dbraw/zinc/70/92/77/396709277.db2.gz JUYZDNNNXHYCFD-MRVPVSSYSA-N 0 0 317.392 0.066 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375233982 396720180 /nfs/dbraw/zinc/72/01/80/396720180.db2.gz OCIOQHPAWGKVFO-AWEZNQCLSA-N 0 0 307.398 0.377 10 0 DCAERN COC[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000302545390 396720797 /nfs/dbraw/zinc/72/07/97/396720797.db2.gz ISJZTTSBFAZODC-QWRGUYRKSA-N 0 0 310.375 0.871 10 0 DCAERN CC(=O)c1ccccc1C(=O)NC[C@]1(OCCO)CCOC1 ZINC000617710685 396784404 /nfs/dbraw/zinc/78/44/04/396784404.db2.gz RIWARZHDNQHRER-MRXNPFEDSA-N 0 0 307.346 0.787 10 0 DCAERN CC(=O)c1csc(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC000617712493 396785378 /nfs/dbraw/zinc/78/53/78/396785378.db2.gz XDGRHQZYXFNWOJ-CQSZACIVSA-N 0 0 313.375 0.849 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCN2CCOC[C@H]2C1 ZINC000375376051 396733606 /nfs/dbraw/zinc/73/36/06/396733606.db2.gz AXKAECGPGMVCCA-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN O=C(CN1CC[C@H](c2nc(C3CC3)no2)C1)N1CCNC1=O ZINC000375435178 396744894 /nfs/dbraw/zinc/74/48/94/396744894.db2.gz FSSLGGBFOGEUPJ-JTQLQIEISA-N 0 0 305.338 0.288 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000375439784 396746873 /nfs/dbraw/zinc/74/68/73/396746873.db2.gz VBRVSWKOLFHVLW-BZPMIXESSA-N 0 0 317.407 0.770 10 0 DCAERN COCCCNC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464029 396751891 /nfs/dbraw/zinc/75/18/91/396751891.db2.gz HKCYSPCFNRWWNJ-GFCCVEGCSA-N 0 0 308.382 0.889 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(c2ccc(S(C)(=O)=O)cc2F)C1 ZINC000312445214 396765339 /nfs/dbraw/zinc/76/53/39/396765339.db2.gz CNGZKYZUCXXYGS-UWVGGRQHSA-N 0 0 303.355 0.815 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000375557710 396770695 /nfs/dbraw/zinc/77/06/95/396770695.db2.gz NJZONTKBMKYHCE-BYNQJWBRSA-N 0 0 308.378 0.655 10 0 DCAERN COC(=O)[C@@H](NC[C@@H](O)COC[C@H]1CCCO1)C(C)(C)C ZINC000610989645 396798267 /nfs/dbraw/zinc/79/82/67/396798267.db2.gz RMUNLKGFZMEAEO-JHJVBQTASA-N 0 0 303.399 0.720 10 0 DCAERN Cc1cc(C)n([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000375799349 396821938 /nfs/dbraw/zinc/82/19/38/396821938.db2.gz YRONNTIPSNLIFQ-OAHLLOKOSA-N 0 0 306.410 0.996 10 0 DCAERN Cc1ccc(-n2cnnc2)c(C(=O)N(C)Cc2nnnn2C)c1 ZINC000564316800 396823008 /nfs/dbraw/zinc/82/30/08/396823008.db2.gz NGQJRAXESWCBNA-UHFFFAOYSA-N 0 0 312.337 0.371 10 0 DCAERN CC(=O)N(c1nc(CN2CC(C)(C(N)=O)C2)cs1)C1CC1 ZINC000564327455 396824553 /nfs/dbraw/zinc/82/45/53/396824553.db2.gz SGCCRNVVVFUDOD-UHFFFAOYSA-N 0 0 308.407 0.966 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)[nH]c(=O)n1 ZINC000328633931 396826609 /nfs/dbraw/zinc/82/66/09/396826609.db2.gz SWNLUOAJJGJYFX-NSHDSACASA-N 0 0 302.338 0.343 10 0 DCAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccoc2)C1 ZINC000328654150 396831442 /nfs/dbraw/zinc/83/14/42/396831442.db2.gz XGNIZHISRCCPDG-ZDUSSCGKSA-N 0 0 309.366 0.907 10 0 DCAERN O=C1[C@@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1C1CCOCC1 ZINC000328678220 396831675 /nfs/dbraw/zinc/83/16/75/396831675.db2.gz SRDHGIDENMIUNP-WCQYABFASA-N 0 0 322.327 0.765 10 0 DCAERN c1[nH]nc2c1C[C@@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329739021 396849426 /nfs/dbraw/zinc/84/94/26/396849426.db2.gz UQZAFZNYNWWUDH-GXFFZTMASA-N 0 0 300.366 0.738 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)N1CCC1 ZINC000375713873 396802832 /nfs/dbraw/zinc/80/28/32/396802832.db2.gz HCVSTRVFZJYFAO-VXGBXAGGSA-N 0 0 304.412 0.094 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000375771981 396815927 /nfs/dbraw/zinc/81/59/27/396815927.db2.gz FWNOLHSTPZADSB-ZQIUZPCESA-N 0 0 318.373 0.638 10 0 DCAERN O=C1NC(=O)[C@@H]2CN(Cc3ccncc3Br)C[C@H]12 ZINC000625459305 396880832 /nfs/dbraw/zinc/88/08/32/396880832.db2.gz GTERWSNFNOINGX-DTORHVGOSA-N 0 0 310.151 0.549 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000332750050 396891312 /nfs/dbraw/zinc/89/13/12/396891312.db2.gz YIZXBSMIFUXTCH-MWLCHTKSSA-N 0 0 315.381 0.715 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@H](C(N)=O)C1 ZINC000408372451 296542210 /nfs/dbraw/zinc/54/22/10/296542210.db2.gz CBJDHVRSNVYZMN-SKDRFNHKSA-N 0 0 317.345 0.744 10 0 DCAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@@](F)(CO)C2)C1 ZINC000376313722 396908660 /nfs/dbraw/zinc/90/86/60/396908660.db2.gz JBYOZZHXHQKLNS-BBRMVZONSA-N 0 0 312.385 0.958 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCO[C@H](C2CC2)C1 ZINC000332972331 396912468 /nfs/dbraw/zinc/91/24/68/396912468.db2.gz ZVIOUANMYKNSAW-RYUDHWBXSA-N 0 0 302.396 0.384 10 0 DCAERN CC(=O)c1ccc(N2C[C@H](O)C3(CC3)C2)c(S(N)(=O)=O)c1 ZINC000376433854 396928941 /nfs/dbraw/zinc/92/89/41/396928941.db2.gz IXQXJUFZIDWFRN-ZDUSSCGKSA-N 0 0 310.375 0.498 10 0 DCAERN COCCC1(C)CN(C(=O)c2nnn(-c3ccn(C)n3)c2C)C1 ZINC000571428724 396951424 /nfs/dbraw/zinc/95/14/24/396951424.db2.gz QHSKCGVDHSGGEX-UHFFFAOYSA-N 0 0 318.381 0.808 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nn2)c1C ZINC000611934711 396951710 /nfs/dbraw/zinc/95/17/10/396951710.db2.gz DGVQNKRMVPHERX-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2cn(C)nn2)cs1 ZINC000611935008 396951914 /nfs/dbraw/zinc/95/19/14/396951914.db2.gz KKWZCCSJHJDXKJ-UHFFFAOYSA-N 0 0 316.364 0.142 10 0 DCAERN CSCc1ccc(NC(=O)C(=O)NCc2cn(C)nn2)cc1 ZINC000611952226 396957211 /nfs/dbraw/zinc/95/72/11/396957211.db2.gz QORIJTNGSGMIFM-UHFFFAOYSA-N 0 0 319.390 0.933 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000618321327 396960533 /nfs/dbraw/zinc/96/05/33/396960533.db2.gz IKUZKEDOOWCZPJ-QKCSRTOESA-N 0 0 316.423 0.327 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000376797091 396980473 /nfs/dbraw/zinc/98/04/73/396980473.db2.gz SOPLUDIOQJPQFD-LLVKDONJSA-N 0 0 305.334 0.822 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2nccnc21 ZINC000618622375 397000336 /nfs/dbraw/zinc/00/03/36/397000336.db2.gz KEJVZONAEVYOPV-BDAKNGLRSA-N 0 0 318.337 0.288 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1cccnc1 ZINC000618675086 397009357 /nfs/dbraw/zinc/00/93/57/397009357.db2.gz AYHUJVYMGDFSKU-NEPJUHHUSA-N 0 0 311.407 0.677 10 0 DCAERN C[C@@H]1OCC(=O)N(Cc2ccccc2)[C@H]1C(=O)N1CC[C@H](O)C1 ZINC000345779273 397014582 /nfs/dbraw/zinc/01/45/82/397014582.db2.gz LKUJGECUDOTCDG-DUVNUKRYSA-N 0 0 318.373 0.396 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000377050511 397021210 /nfs/dbraw/zinc/02/12/10/397021210.db2.gz ZMLGSKFFOSWVGG-GRYCIOLGSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCC1(N2CCOCC2)CC1 ZINC000572225243 397034755 /nfs/dbraw/zinc/03/47/55/397034755.db2.gz FBHKMDXKHQZWOR-LBPRGKRZSA-N 0 0 303.428 0.170 10 0 DCAERN CCC[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000618882873 397036242 /nfs/dbraw/zinc/03/62/42/397036242.db2.gz CCOHLTUYXALKOS-MXWKQRLJSA-N 0 0 302.371 0.110 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)[C@@H](C)C1 ZINC000612464365 397063812 /nfs/dbraw/zinc/06/38/12/397063812.db2.gz BLRJBPOSRCKSFT-VIFPVBQESA-N 0 0 302.334 0.269 10 0 DCAERN CN(C)S(=O)(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000377563988 397102090 /nfs/dbraw/zinc/10/20/90/397102090.db2.gz MTRZKYREMIQXSW-UHFFFAOYSA-N 0 0 302.747 0.534 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000377224931 397050924 /nfs/dbraw/zinc/05/09/24/397050924.db2.gz OWHWCWPVYJWQCC-LBPRGKRZSA-N 0 0 305.382 0.755 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)O ZINC000626422001 397159888 /nfs/dbraw/zinc/15/98/88/397159888.db2.gz RATAEPBYUMDGGI-ZJUUUORDSA-N 0 0 315.414 0.072 10 0 DCAERN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@H]1C[C@@H](O)C1 ZINC000612640119 397110750 /nfs/dbraw/zinc/11/07/50/397110750.db2.gz WRLWUTUWDUPSIH-MJBXVCDLSA-N 0 0 303.362 0.783 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000626813515 397247635 /nfs/dbraw/zinc/24/76/35/397247635.db2.gz GHPDWBFNNZFZSV-NWDGAFQWSA-N 0 0 309.410 0.711 10 0 DCAERN CCN1CC[C@@H](NC(=O)Nc2cc(C(=O)OC)n(C)c2)C1=O ZINC000619795651 397193651 /nfs/dbraw/zinc/19/36/51/397193651.db2.gz NWAXZOQNDWQICW-SNVBAGLBSA-N 0 0 308.338 0.554 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCc2ccc([S@@](C)=O)cc2)C1=O ZINC000619803413 397196634 /nfs/dbraw/zinc/19/66/34/397196634.db2.gz BOQUPODZFWSXOE-MCMMXHMISA-N 0 0 323.418 0.844 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCCCO1 ZINC000626630409 397209622 /nfs/dbraw/zinc/20/96/22/397209622.db2.gz SXRMLBYWLIZLMF-UHFFFAOYSA-N 0 0 313.398 0.740 10 0 DCAERN CCOC(=O)COc1ccc(OCCN2CC(=O)N(C)C2)cc1 ZINC000613176100 397210947 /nfs/dbraw/zinc/21/09/47/397210947.db2.gz QZRPKSHIBHTLOP-UHFFFAOYSA-N 0 0 322.361 0.739 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)C(C)(C)C1 ZINC000613257098 397230749 /nfs/dbraw/zinc/23/07/49/397230749.db2.gz CCRCRTLIDPBYKJ-UHFFFAOYSA-N 0 0 316.361 0.659 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000378470417 397244709 /nfs/dbraw/zinc/24/47/09/397244709.db2.gz AQPIBTJGROMNBV-OLZOCXBDSA-N 0 0 312.366 0.036 10 0 DCAERN Cn1c(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc(Cl)c1Cl ZINC000380495234 397269259 /nfs/dbraw/zinc/26/92/59/397269259.db2.gz NEQHDCNQVYJGDD-GFCCVEGCSA-N 0 0 320.176 0.784 10 0 DCAERN CC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1nccs1 ZINC000382380925 397273699 /nfs/dbraw/zinc/27/36/99/397273699.db2.gz RHDAGSGHICJSPJ-NXEZZACHSA-N 0 0 305.425 0.502 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1ccc(OCC(=O)OC)cc1 ZINC000613534767 397275034 /nfs/dbraw/zinc/27/50/34/397275034.db2.gz UIDJEZMWXNSSMJ-OAHLLOKOSA-N 0 0 311.334 0.366 10 0 DCAERN CC(C)OC[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCO1 ZINC000613608901 397287937 /nfs/dbraw/zinc/28/79/37/397287937.db2.gz YGGUMMKBXFSIIT-NSHDSACASA-N 0 0 319.361 0.842 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)C(C)(C)O ZINC000394017381 397308568 /nfs/dbraw/zinc/30/85/68/397308568.db2.gz DSVREDORUYPKBW-NXEZZACHSA-N 0 0 308.400 0.008 10 0 DCAERN Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)o1 ZINC000365287103 397260997 /nfs/dbraw/zinc/26/09/97/397260997.db2.gz FBWQOYYNMZLVBY-DRZSPHRISA-N 0 0 308.334 0.521 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCCCNC2=O)C[C@H]1C ZINC000407959197 397336950 /nfs/dbraw/zinc/33/69/50/397336950.db2.gz RGLHKGXRDDRIQS-UEKVPHQBSA-N 0 0 311.382 0.496 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366052689 397337136 /nfs/dbraw/zinc/33/71/36/397337136.db2.gz TXQRJYDXHHEZFG-MROQNXINSA-N 0 0 318.439 0.730 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC(=O)N1 ZINC000407961283 397337841 /nfs/dbraw/zinc/33/78/41/397337841.db2.gz CNFBLUQYSDODRZ-DSZLRUIBSA-N 0 0 310.394 0.949 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407968551 397340928 /nfs/dbraw/zinc/34/09/28/397340928.db2.gz GNFKECAQXHCERA-JTQLQIEISA-N 0 0 305.382 0.806 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC(=O)N1C ZINC000407973592 397342381 /nfs/dbraw/zinc/34/23/81/397342381.db2.gz YRRPRRPBYIUSPZ-CHWSQXEVSA-N 0 0 323.437 0.960 10 0 DCAERN CNC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408170338 397349139 /nfs/dbraw/zinc/34/91/39/397349139.db2.gz TWHJVWWKCCPDPR-NWDGAFQWSA-N 0 0 303.428 0.564 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@](=O)CC[C@@H]1C ZINC000408212868 397350094 /nfs/dbraw/zinc/35/00/94/397350094.db2.gz AFSTWGGBNGZLAS-KPZWWZAWSA-N 0 0 310.485 0.501 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408359877 397354502 /nfs/dbraw/zinc/35/45/02/397354502.db2.gz QJBGAIBZQNRCDO-AWEZNQCLSA-N 0 0 318.439 0.687 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408419898 397356785 /nfs/dbraw/zinc/35/67/85/397356785.db2.gz PNPRENBHFXGYHO-DCAQKATOSA-N 0 0 322.452 0.757 10 0 DCAERN CNC(=O)[C@H]1CCCN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449796 397357659 /nfs/dbraw/zinc/35/76/59/397357659.db2.gz DRLMVUOBTJJHOT-NXEZZACHSA-N 0 0 307.316 0.750 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCCC[C@H]1CC(C)C ZINC000408450170 397357802 /nfs/dbraw/zinc/35/78/02/397357802.db2.gz CVOAWRUUQYYMLE-LBPRGKRZSA-N 0 0 305.444 0.858 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@H]1CO ZINC000366509076 397369712 /nfs/dbraw/zinc/36/97/12/397369712.db2.gz CKCMUYYDWFUPIK-QNWHQSFQSA-N 0 0 318.439 0.755 10 0 DCAERN O=C(NCCOCC1CCCC1)NC[C@@H](O)Cn1ccnn1 ZINC000459142282 397431119 /nfs/dbraw/zinc/43/11/19/397431119.db2.gz ORUOLPCIOMZNPG-CYBMUJFWSA-N 0 0 311.386 0.145 10 0 DCAERN Cc1[nH]ccc1C(=O)N1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000370189079 397453350 /nfs/dbraw/zinc/45/33/50/397453350.db2.gz NAJUEJZAVVBUES-CQSZACIVSA-N 0 0 304.394 0.750 10 0 DCAERN CCC[C@](C)(O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602428880 397398110 /nfs/dbraw/zinc/39/81/10/397398110.db2.gz YTMJJIPKFKYDJX-ZDUSSCGKSA-N 0 0 321.443 0.262 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)C1 ZINC000621580528 397401573 /nfs/dbraw/zinc/40/15/73/397401573.db2.gz GIVHRWAIOXZDDI-UPJWGTAASA-N 0 0 310.398 0.341 10 0 DCAERN COC(=O)C1(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000487128300 397466745 /nfs/dbraw/zinc/46/67/45/397466745.db2.gz WHXPVTNZBYAKLN-LLVKDONJSA-N 0 0 304.346 0.874 10 0 DCAERN COC(=O)C1(CNC(=O)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000487128301 397467401 /nfs/dbraw/zinc/46/74/01/397467401.db2.gz WHXPVTNZBYAKLN-NSHDSACASA-N 0 0 304.346 0.874 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)=O)o1 ZINC000488148491 397486434 /nfs/dbraw/zinc/48/64/34/397486434.db2.gz KDAGNBSRYFANLN-IUCAKERBSA-N 0 0 324.333 0.668 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1oc(C)nc1C ZINC000488258971 397487571 /nfs/dbraw/zinc/48/75/71/397487571.db2.gz BLGLPUIDUBIZDA-IUCAKERBSA-N 0 0 311.338 0.478 10 0 DCAERN CCCCCNC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000492153163 397515252 /nfs/dbraw/zinc/51/52/52/397515252.db2.gz PWCRILMSJMIJJS-WDEREUQCSA-N 0 0 301.387 0.932 10 0 DCAERN CN(C)CCn1cc(NC(=O)C(C)(C)S(C)(=O)=O)cn1 ZINC000603086788 397566596 /nfs/dbraw/zinc/56/65/96/397566596.db2.gz AILWFPNJKYXPBN-UHFFFAOYSA-N 0 0 302.400 0.206 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)C(=O)Nc1cccc2c1OCCC2 ZINC000371370675 397576755 /nfs/dbraw/zinc/57/67/55/397576755.db2.gz ORVIBLCLLQIXGF-MRXNPFEDSA-N 0 0 320.345 0.218 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](O)C[C@]2(C)CO)s1 ZINC000602898643 397517320 /nfs/dbraw/zinc/51/73/20/397517320.db2.gz LRUXLOYIXPNGKK-TVQRCGJNSA-N 0 0 300.380 0.637 10 0 DCAERN COc1ccc(NC(=O)CS(=O)(=O)C(C)C)cc1CO ZINC000494814571 397533591 /nfs/dbraw/zinc/53/35/91/397533591.db2.gz WPRSQSFJGLVVOL-UHFFFAOYSA-N 0 0 301.364 0.949 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000604969924 397657462 /nfs/dbraw/zinc/65/74/62/397657462.db2.gz AAIFGODIFSYFFV-AWEZNQCLSA-N 0 0 301.346 0.922 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)n1 ZINC000608246081 397723276 /nfs/dbraw/zinc/72/32/76/397723276.db2.gz BMOLPEATSXYKIU-RISCZKNCSA-N 0 0 318.381 0.580 10 0 DCAERN C[C@@H]1CC[C@H](CCC(=O)NCCCN2CCCS2(=O)=O)O1 ZINC000608360158 397726945 /nfs/dbraw/zinc/72/69/45/397726945.db2.gz BYYSWIHUKQPKQH-CHWSQXEVSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@@H](C)n3cccn3)CC2)[nH]1 ZINC000605527591 397666968 /nfs/dbraw/zinc/66/69/68/397666968.db2.gz XSKHDAWTKPVRAR-LLVKDONJSA-N 0 0 303.370 0.215 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(C)C2)o1 ZINC000606303518 397678730 /nfs/dbraw/zinc/67/87/30/397678730.db2.gz QDHMSBRXCHRSCM-SECBINFHSA-N 0 0 302.352 0.439 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1cccnc1N1CCC(CO)CC1 ZINC000606534142 397683563 /nfs/dbraw/zinc/68/35/63/397683563.db2.gz VNAFLNWXSNDCDX-UHFFFAOYSA-N 0 0 320.393 0.707 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cn1 ZINC000608490210 397734056 /nfs/dbraw/zinc/73/40/56/397734056.db2.gz NMRGZPODWJWFMU-NQBHXWOUSA-N 0 0 321.381 0.660 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(c2cncc(-n3cncn3)n2)C1 ZINC000608081448 397715417 /nfs/dbraw/zinc/71/54/17/397715417.db2.gz XOPIOEYMKKEWLL-LLVKDONJSA-N 0 0 301.354 0.552 10 0 DCAERN Cc1ccc(N2CCCN([C@H](C)c3nnnn3C)CC2)nn1 ZINC000249276320 292130126 /nfs/dbraw/zinc/13/01/26/292130126.db2.gz JYOQXBNKQZEEBW-GFCCVEGCSA-N 0 0 302.386 0.582 10 0 DCAERN C[C@@H](CNS(=O)(=O)CC[C@H]1CCCO1)N1CCOCC1 ZINC000157089778 545849265 /nfs/dbraw/zinc/84/92/65/545849265.db2.gz KGGSCUXUKYUTJS-QWHCGFSZSA-N 0 0 306.428 0.196 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408236088 292267649 /nfs/dbraw/zinc/26/76/49/292267649.db2.gz NDJWXBBNCADUKC-NEPJUHHUSA-N 0 0 306.428 0.699 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408027891 292938162 /nfs/dbraw/zinc/93/81/62/292938162.db2.gz PMVQZHTXDROXDL-XUXIUFHCSA-N 0 0 320.455 0.945 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C12CCOCC2 ZINC000187137244 286373390 /nfs/dbraw/zinc/37/33/90/286373390.db2.gz WJNVNIZOBWUJPK-HZSPNIEDSA-N 0 0 324.421 0.945 10 0 DCAERN CC(=O)NCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031240679 157985010 /nfs/dbraw/zinc/98/50/10/157985010.db2.gz BFHRZAXJUGWXNA-CQSZACIVSA-N 0 0 317.389 0.990 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2ccnn2C)cc1 ZINC000047475206 158002746 /nfs/dbraw/zinc/00/27/46/158002746.db2.gz ZDFVUPIZGQBKPR-UHFFFAOYSA-N 0 0 302.334 0.475 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H](O)C1 ZINC000047102179 158002853 /nfs/dbraw/zinc/00/28/53/158002853.db2.gz BPAZHVLLEJVQQC-OLZOCXBDSA-N 0 0 305.382 0.612 10 0 DCAERN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCNC(=O)CC1 ZINC000054259105 158019889 /nfs/dbraw/zinc/01/98/89/158019889.db2.gz DQDUMOIWPYIMGX-GFCCVEGCSA-N 0 0 318.377 0.223 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000055143015 158021372 /nfs/dbraw/zinc/02/13/72/158021372.db2.gz KKUGLVGOXOWURN-NWDGAFQWSA-N 0 0 316.423 0.279 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(N)=O ZINC000057050183 158024352 /nfs/dbraw/zinc/02/43/52/158024352.db2.gz GNUGLCCCJYPKNL-GFCCVEGCSA-N 0 0 303.362 0.415 10 0 DCAERN CCCC(=O)NCC(=O)NCC(=O)NCCc1ccccc1 ZINC000058887329 158027115 /nfs/dbraw/zinc/02/71/15/158027115.db2.gz QBGROHRYBDTPKJ-UHFFFAOYSA-N 0 0 305.378 0.378 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000059883647 158027290 /nfs/dbraw/zinc/02/72/90/158027290.db2.gz IRTKKXTUXGLLGU-UHFFFAOYSA-N 0 0 311.363 0.020 10 0 DCAERN C[C@@H]1CN(C[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@@H](C)O1 ZINC000066482041 158035714 /nfs/dbraw/zinc/03/57/14/158035714.db2.gz GJFXZWQEEKGANL-MCIONIFRSA-N 0 0 324.421 0.776 10 0 DCAERN COC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C ZINC000068083730 158040377 /nfs/dbraw/zinc/04/03/77/158040377.db2.gz SFUZXLOIBKQAMH-LBPRGKRZSA-N 0 0 306.362 0.992 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000068230156 158041836 /nfs/dbraw/zinc/04/18/36/158041836.db2.gz OWCKEMGTBPWBEE-LLVKDONJSA-N 0 0 306.366 0.514 10 0 DCAERN COCCOCCNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000069697000 158045174 /nfs/dbraw/zinc/04/51/74/158045174.db2.gz VGAFKWNATVNEFU-UHFFFAOYSA-N 0 0 310.379 0.936 10 0 DCAERN COc1ccccc1NC(=O)CN(C)[C@@H](C)CS(C)(=O)=O ZINC000069866297 158046598 /nfs/dbraw/zinc/04/65/98/158046598.db2.gz IILIISQDFUVRLV-NSHDSACASA-N 0 0 314.407 0.999 10 0 DCAERN Cc1ccn2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)c2n1 ZINC000072565361 158050981 /nfs/dbraw/zinc/05/09/81/158050981.db2.gz KAYZGFYYRNLMEG-WDEREUQCSA-N 0 0 301.350 0.764 10 0 DCAERN CC(C)=CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000074161558 158058081 /nfs/dbraw/zinc/05/80/81/158058081.db2.gz DSYXWFBDFSHNRY-UHFFFAOYSA-N 0 0 303.428 0.147 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000075018105 158060811 /nfs/dbraw/zinc/06/08/11/158060811.db2.gz LLGAROKSUREGDK-UHFFFAOYSA-N 0 0 317.436 0.702 10 0 DCAERN Cc1cc(C)c(CNC(=O)c2ccnc(-n3cncn3)c2)c(=O)[nH]1 ZINC000075122353 158060820 /nfs/dbraw/zinc/06/08/20/158060820.db2.gz FTFXAVSWPYLATP-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN CCCS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000075017613 158061135 /nfs/dbraw/zinc/06/11/35/158061135.db2.gz BNVBAGYIGJXOAO-GFCCVEGCSA-N 0 0 304.412 0.440 10 0 DCAERN COCCN(C)S(=O)(=O)NCCc1cc(F)ccc1F ZINC000080800847 158083177 /nfs/dbraw/zinc/08/31/77/158083177.db2.gz ATZUBBCUZZTPCR-UHFFFAOYSA-N 0 0 308.350 0.920 10 0 DCAERN CCCNC(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081487246 158084594 /nfs/dbraw/zinc/08/45/94/158084594.db2.gz HYSOGDBJHJMMJO-LLVKDONJSA-N 0 0 311.304 0.611 10 0 DCAERN CCN(CC(C)(C)O)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000081972375 158086921 /nfs/dbraw/zinc/08/69/21/158086921.db2.gz YZWYHDAVNXBFMV-UHFFFAOYSA-N 0 0 319.361 0.309 10 0 DCAERN CCCS(=O)(=O)CC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000088196547 158093283 /nfs/dbraw/zinc/09/32/83/158093283.db2.gz BSWTXBLZMKJULZ-SNVBAGLBSA-N 0 0 314.411 0.616 10 0 DCAERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H]1COCCN1 ZINC000088358604 158095080 /nfs/dbraw/zinc/09/50/80/158095080.db2.gz AJNKIHLLSMTDOO-SNVBAGLBSA-N 0 0 311.725 0.598 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1COc2ccccc21 ZINC000088772911 158096293 /nfs/dbraw/zinc/09/62/93/158096293.db2.gz FMPVCSCHGNWWHN-NSHDSACASA-N 0 0 314.363 0.449 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCOC[C@H]3C3CC3)nc2n1 ZINC000089976655 158100658 /nfs/dbraw/zinc/10/06/58/158100658.db2.gz LAPURJIGJIAYAI-ZDUSSCGKSA-N 0 0 315.377 0.921 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)c2csc(CN)n2)cn1 ZINC000090930401 158105365 /nfs/dbraw/zinc/10/53/65/158105365.db2.gz QYFQYQVEIAVYDP-UHFFFAOYSA-N 0 0 312.376 0.653 10 0 DCAERN Cc1cccn2c1ncc(C(=O)N[C@@H](C(N)=O)C(C)C)c2=O ZINC000091049130 158106557 /nfs/dbraw/zinc/10/65/57/158106557.db2.gz GIWCFRVCMGMSJS-LLVKDONJSA-N 0 0 302.334 0.243 10 0 DCAERN COC(=O)CCCNC(=O)c1cnc2c(C)cccn2c1=O ZINC000090996877 158106584 /nfs/dbraw/zinc/10/65/84/158106584.db2.gz FQEFJTWPMNSCGY-UHFFFAOYSA-N 0 0 303.318 0.686 10 0 DCAERN CC(C)c1cccc(OCC(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091784045 158109293 /nfs/dbraw/zinc/10/92/93/158109293.db2.gz NRHHXZDVCXTXLT-AWEZNQCLSA-N 0 0 306.362 0.902 10 0 DCAERN O=C(NCCCN1CCCC1=O)NCCCN1CCOCC1 ZINC000096997460 158124369 /nfs/dbraw/zinc/12/43/69/158124369.db2.gz SZKVDRFTPFEQMM-UHFFFAOYSA-N 0 0 312.414 0.020 10 0 DCAERN O=C(CNS(=O)(=O)c1ccccc1)NCC1(CCO)CC1 ZINC000097818980 158125493 /nfs/dbraw/zinc/12/54/93/158125493.db2.gz NEHFKBSREVGZIX-UHFFFAOYSA-N 0 0 312.391 0.244 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1 ZINC000098094176 158127346 /nfs/dbraw/zinc/12/73/46/158127346.db2.gz OUYJEBHEMKVDEJ-UHFFFAOYSA-N 0 0 320.370 0.899 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)c1 ZINC000105885741 158132034 /nfs/dbraw/zinc/13/20/34/158132034.db2.gz ZTJWAGAEZKBDQR-NEPJUHHUSA-N 0 0 314.411 0.293 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)NS(C)(=O)=O)C2)c1 ZINC000105885743 158132232 /nfs/dbraw/zinc/13/22/32/158132232.db2.gz ZTJWAGAEZKBDQR-NWDGAFQWSA-N 0 0 314.411 0.293 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111360673 158141273 /nfs/dbraw/zinc/14/12/73/158141273.db2.gz XQFRDXNDYDMDJX-CYBMUJFWSA-N 0 0 316.427 0.651 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112662360 158143400 /nfs/dbraw/zinc/14/34/00/158143400.db2.gz WCGQIFDCMSGTSL-LLVKDONJSA-N 0 0 314.411 0.170 10 0 DCAERN CCCCNC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650568 158149207 /nfs/dbraw/zinc/14/92/07/158149207.db2.gz LMYWNGLXHVKRFH-LLVKDONJSA-N 0 0 312.391 0.801 10 0 DCAERN O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114312195 158151378 /nfs/dbraw/zinc/15/13/78/158151378.db2.gz AYQSROGYTGSKNF-AWEZNQCLSA-N 0 0 315.373 0.921 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(C)nn(C)c1OC)CC2 ZINC000114870697 158159103 /nfs/dbraw/zinc/15/91/03/158159103.db2.gz SMROGAWNZZOOEA-JTQLQIEISA-N 0 0 318.381 0.636 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000114872262 158159114 /nfs/dbraw/zinc/15/91/14/158159114.db2.gz MEXBONPQLKTVAD-JTQLQIEISA-N 0 0 311.349 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCn1cc(C)cn1)CC2 ZINC000114871174 158159213 /nfs/dbraw/zinc/15/92/13/158159213.db2.gz WEEAKNVORZLPMB-LBPRGKRZSA-N 0 0 302.382 0.867 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CC2 ZINC000114864681 158159270 /nfs/dbraw/zinc/15/92/70/158159270.db2.gz XIYFWCGNIDFSKF-QWRGUYRKSA-N 0 0 320.397 0.062 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCC2CC2)CC1 ZINC000115376875 158161126 /nfs/dbraw/zinc/16/11/26/158161126.db2.gz WLSKFRZCQZNPDH-CQSZACIVSA-N 0 0 323.437 0.568 10 0 DCAERN COC(=O)CNC(=O)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115739963 158162638 /nfs/dbraw/zinc/16/26/38/158162638.db2.gz GQCZEDNUEZDGOG-UHFFFAOYSA-N 0 0 324.352 0.958 10 0 DCAERN COC(=O)NCCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116772898 158166698 /nfs/dbraw/zinc/16/66/98/158166698.db2.gz HCXQMFQAKRPYNV-CYBMUJFWSA-N 0 0 323.397 0.880 10 0 DCAERN CC(C)c1noc([C@H](C)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000116891491 158168704 /nfs/dbraw/zinc/16/87/04/158168704.db2.gz SUSSHCCBDPHECK-UWVGGRQHSA-N 0 0 302.400 0.878 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000117274365 158169572 /nfs/dbraw/zinc/16/95/72/158169572.db2.gz DNVNARPYBSJWAO-AWEZNQCLSA-N 0 0 313.442 0.862 10 0 DCAERN COCCN1CCN(C(=O)NCCCC(=O)N(C)C)C[C@H]1C ZINC000117484683 158172161 /nfs/dbraw/zinc/17/21/61/158172161.db2.gz GUIDLBPHMSPXQX-CYBMUJFWSA-N 0 0 314.430 0.217 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C ZINC000117369564 158172476 /nfs/dbraw/zinc/17/24/76/158172476.db2.gz FQTDGDJIAPPBOP-KGLIPLIRSA-N 0 0 320.455 0.538 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C)cn2)cc1 ZINC000117814050 158173139 /nfs/dbraw/zinc/17/31/39/158173139.db2.gz SNMLTDHZICUJCK-UHFFFAOYSA-N 0 0 322.390 0.530 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC(=O)N1CCOCC1 ZINC000117745790 158173331 /nfs/dbraw/zinc/17/33/31/158173331.db2.gz RHCIZPVWAUKTCY-MLGOLLRUSA-N 0 0 318.373 0.868 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000119123207 158182635 /nfs/dbraw/zinc/18/26/35/158182635.db2.gz ZJHLROWRCJHVJN-CYBMUJFWSA-N 0 0 313.361 0.941 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)CCCO2)C1 ZINC000120130535 158193509 /nfs/dbraw/zinc/19/35/09/158193509.db2.gz QNAYSVNNOZZLOI-DGCLKSJQSA-N 0 0 304.412 0.484 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1c1nncn1C ZINC000120426358 158197910 /nfs/dbraw/zinc/19/79/10/158197910.db2.gz FOUMAABJZWMMKA-WDEREUQCSA-N 0 0 309.395 0.400 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccs1 ZINC000120602698 158200779 /nfs/dbraw/zinc/20/07/79/158200779.db2.gz BYTOGMKVZZEVRA-UHFFFAOYSA-N 0 0 311.407 0.851 10 0 DCAERN Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)C(C)C)cn1C ZINC000120605472 158200926 /nfs/dbraw/zinc/20/09/26/158200926.db2.gz YDJMEBZMESOQKS-JTQLQIEISA-N 0 0 316.427 0.558 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000120822149 158203578 /nfs/dbraw/zinc/20/35/78/158203578.db2.gz ZRDDXBVVIAEWFC-UHTWSYAYSA-N 0 0 321.381 0.564 10 0 DCAERN CCN1C[C@H](C(=O)N2CCOC[C@H]2c2nc(C)no2)CC1=O ZINC000121106524 158208231 /nfs/dbraw/zinc/20/82/31/158208231.db2.gz QIYCPBHXJLYRDK-MNOVXSKESA-N 0 0 308.338 0.146 10 0 DCAERN COCCCN(C[C@H](O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000121591568 158212695 /nfs/dbraw/zinc/21/26/95/158212695.db2.gz PLFAYQLOMGWJJL-ZJUUUORDSA-N 0 0 319.345 0.435 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCOC1 ZINC000121792497 158215057 /nfs/dbraw/zinc/21/50/57/158215057.db2.gz AMHFQEQVNRTXLV-QWRGUYRKSA-N 0 0 304.412 0.630 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122348059 158221046 /nfs/dbraw/zinc/22/10/46/158221046.db2.gz PCOBTMBQBWFTRF-NSHDSACASA-N 0 0 310.375 0.579 10 0 DCAERN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC(CO)C1 ZINC000122635442 158222725 /nfs/dbraw/zinc/22/27/25/158222725.db2.gz KFLNJHGRKYRUKD-CYBMUJFWSA-N 0 0 316.365 0.304 10 0 DCAERN Cc1cnc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)s1 ZINC000123849582 158234562 /nfs/dbraw/zinc/23/45/62/158234562.db2.gz GGNQNLYQYPWKNW-LLVKDONJSA-N 0 0 324.406 0.323 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)N(C)c2ccccc2)C[C@@H](C)O1 ZINC000123994442 158237010 /nfs/dbraw/zinc/23/70/10/158237010.db2.gz NSSRYOZSIVTMLJ-TZMCWYRMSA-N 0 0 306.362 0.912 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CCNC(=O)CC1)CO2 ZINC000124644221 158245433 /nfs/dbraw/zinc/24/54/33/158245433.db2.gz RFFYULXXUUNDRA-LBPRGKRZSA-N 0 0 304.346 0.595 10 0 DCAERN CC[C@H]1CN(C(=O)CN2CCCC2=O)CCN1CC(F)F ZINC000124985583 158249270 /nfs/dbraw/zinc/24/92/70/158249270.db2.gz LYUSAHBQVYJNFS-NSHDSACASA-N 0 0 303.353 0.797 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000125267864 158253646 /nfs/dbraw/zinc/25/36/46/158253646.db2.gz NJVXNUAVDNHSJD-QWRGUYRKSA-N 0 0 318.377 0.749 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000125395048 158255186 /nfs/dbraw/zinc/25/51/86/158255186.db2.gz UTKZVRZPYDXDDB-PWSUYJOCSA-N 0 0 321.352 0.668 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCN1CC(F)F ZINC000125887112 158261092 /nfs/dbraw/zinc/26/10/92/158261092.db2.gz NVWAEWGLQARXLC-NXEZZACHSA-N 0 0 312.382 0.607 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NCC2(C)COC2)c1 ZINC000128040708 158278542 /nfs/dbraw/zinc/27/85/42/158278542.db2.gz ADJLQCXTBWBICW-UHFFFAOYSA-N 0 0 305.378 0.924 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](CC)CCO)CC2 ZINC000128582410 158281999 /nfs/dbraw/zinc/28/19/99/158281999.db2.gz WVRUGRWSYNPYNK-NWDGAFQWSA-N 0 0 309.414 0.863 10 0 DCAERN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1COc2ccccc21 ZINC000128570538 158282117 /nfs/dbraw/zinc/28/21/17/158282117.db2.gz CWFWCTZSQYDBJU-ZYHUDNBSSA-N 0 0 315.329 0.218 10 0 DCAERN C[C@@H]([NH2+]CC1(O)CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000128891027 158283283 /nfs/dbraw/zinc/28/32/83/158283283.db2.gz NYSWKKROXHUCIA-LLVKDONJSA-N 0 0 314.407 0.526 10 0 DCAERN CC(C)c1nccn1CCC(=O)N1CCN(C(=O)CO)CC1 ZINC000128789255 158283568 /nfs/dbraw/zinc/28/35/68/158283568.db2.gz QIBQLJWFSAPFQM-UHFFFAOYSA-N 0 0 308.382 0.060 10 0 DCAERN Cc1cc([C@H]2CN(C(=O)Cn3cnnn3)CCO2)ccc1F ZINC000129194952 158286380 /nfs/dbraw/zinc/28/63/80/158286380.db2.gz CIAHHLJHIKRQLG-CYBMUJFWSA-N 0 0 305.313 0.721 10 0 DCAERN CC(C)[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(N)=O ZINC000130046047 158293824 /nfs/dbraw/zinc/29/38/24/158293824.db2.gz RONXOYHMMUZFLT-VIFPVBQESA-N 0 0 304.393 0.391 10 0 DCAERN COc1ccc2c(c1)C=C(C(=O)NC[C@@H]1CN(C)CCO1)CO2 ZINC000130272375 158294781 /nfs/dbraw/zinc/29/47/81/158294781.db2.gz KJNRREDCCDKMCO-OAHLLOKOSA-N 0 0 318.373 0.918 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)C[C@H](C(N)=O)O1 ZINC000131020977 158299597 /nfs/dbraw/zinc/29/95/97/158299597.db2.gz XVCKHXDHXADSIQ-KPYDUXRZSA-N 0 0 310.375 0.562 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC(=O)N(C)C2)cc1C ZINC000132350940 158310477 /nfs/dbraw/zinc/31/04/77/158310477.db2.gz ZBSMKFVDEHLWMB-AWEZNQCLSA-N 0 0 317.389 0.770 10 0 DCAERN COCC(=O)N[C@H](C(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000132944483 158315126 /nfs/dbraw/zinc/31/51/26/158315126.db2.gz FDVFPQGBKCFIGQ-JSGCOSHPSA-N 0 0 323.397 0.229 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000133546221 158320703 /nfs/dbraw/zinc/32/07/03/158320703.db2.gz PUZOTUCCNJGPAU-DTWKUNHWSA-N 0 0 317.183 0.744 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)COC[C@H]1CCOC1)CC2 ZINC000133945370 158322833 /nfs/dbraw/zinc/32/28/33/158322833.db2.gz HWKFJHIFPVCNMD-STQMWFEESA-N 0 0 322.409 0.886 10 0 DCAERN CN(C)c1ncc(NS(=O)(=O)C[C@@H]2CCCCO2)cn1 ZINC000133910206 158323412 /nfs/dbraw/zinc/32/34/12/158323412.db2.gz FBBUXNXHEFARKM-NSHDSACASA-N 0 0 300.384 0.853 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134703115 158329334 /nfs/dbraw/zinc/32/93/34/158329334.db2.gz OZNUVZBXDABGDL-LLVKDONJSA-N 0 0 310.441 0.226 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000134734381 158330116 /nfs/dbraw/zinc/33/01/16/158330116.db2.gz TVGZUIHWWPATLJ-NSHDSACASA-N 0 0 300.384 0.403 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000134789346 158331236 /nfs/dbraw/zinc/33/12/36/158331236.db2.gz VSYFPUWVRMUKOO-JTQLQIEISA-N 0 0 322.796 0.956 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)C1 ZINC000135153255 158334209 /nfs/dbraw/zinc/33/42/09/158334209.db2.gz VWAZQLDRFZBFEK-NSHDSACASA-N 0 0 312.414 0.553 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H](C(N)=O)C(C)C ZINC000135322504 158335235 /nfs/dbraw/zinc/33/52/35/158335235.db2.gz KTZLKUUEXRDPRU-RNCFNFMXSA-N 0 0 309.414 0.777 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1nnc2n1CCCC2 ZINC000135344653 158336724 /nfs/dbraw/zinc/33/67/24/158336724.db2.gz DKHPQIKJGKCKDZ-MNOVXSKESA-N 0 0 305.382 0.660 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135689154 158340361 /nfs/dbraw/zinc/34/03/61/158340361.db2.gz LHJNHVBKAJVQSM-AAEUAGOBSA-N 0 0 312.391 0.742 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)n(C)n1 ZINC000135779535 158340554 /nfs/dbraw/zinc/34/05/54/158340554.db2.gz INZDQDLSVNBDFJ-JTQLQIEISA-N 0 0 316.365 0.628 10 0 DCAERN CCCC(=O)NCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000136369772 158342553 /nfs/dbraw/zinc/34/25/53/158342553.db2.gz RLMBUWCIUQWECM-ZDUSSCGKSA-N 0 0 319.409 0.820 10 0 DCAERN CCc1cnccc1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000136749220 158344491 /nfs/dbraw/zinc/34/44/91/158344491.db2.gz GUQZFSDXEKZDHY-UHFFFAOYSA-N 0 0 311.407 0.752 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](C)CCOC)CCO2)[nH]1 ZINC000138313219 158346595 /nfs/dbraw/zinc/34/65/95/158346595.db2.gz IASOPOQLKDDLCY-WDEREUQCSA-N 0 0 311.386 0.875 10 0 DCAERN NC(=O)NCC(=O)NCc1ccc(F)cc1Br ZINC000139262514 158347931 /nfs/dbraw/zinc/34/79/31/158347931.db2.gz SNLCBRGWVABRCX-UHFFFAOYSA-N 0 0 304.119 0.873 10 0 DCAERN Cc1cccc([C@H]2CCCN2C(=O)CN2CC(=O)NC2=O)n1 ZINC000167259309 158368450 /nfs/dbraw/zinc/36/84/50/158368450.db2.gz LJKBSWKIPUMHIN-GFCCVEGCSA-N 0 0 302.334 0.605 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000170782936 158376960 /nfs/dbraw/zinc/37/69/60/158376960.db2.gz SCTUQOAUYUFGJN-GFCCVEGCSA-N 0 0 308.386 0.026 10 0 DCAERN Cc1noc(C2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)n1 ZINC000170924428 158378018 /nfs/dbraw/zinc/37/80/18/158378018.db2.gz QHMORBVCJBJZSM-ZDUSSCGKSA-N 0 0 323.397 0.598 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000171066502 158379670 /nfs/dbraw/zinc/37/96/70/158379670.db2.gz BTMXZUXBRFRAHV-MNOVXSKESA-N 0 0 323.422 0.329 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000171701512 158386325 /nfs/dbraw/zinc/38/63/25/158386325.db2.gz INKAWNIZKFNGMI-JQWIXIFHSA-N 0 0 316.361 0.642 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000171775986 158387612 /nfs/dbraw/zinc/38/76/12/158387612.db2.gz LLMALFGOZQBTHG-CMPLNLGQSA-N 0 0 312.391 0.974 10 0 DCAERN CC(C)[C@@](C)(O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000171929505 158388175 /nfs/dbraw/zinc/38/81/75/158388175.db2.gz WRZFZAJZXVYXBM-HNNXBMFYSA-N 0 0 318.381 0.869 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N2CCC[C@H]2C(=O)NC)CC1=O ZINC000172005483 158389612 /nfs/dbraw/zinc/38/96/12/158389612.db2.gz FOSOQCXTGORLET-XQQFMLRXSA-N 0 0 309.410 0.761 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)CS(C)(=O)=O ZINC000172248768 158391776 /nfs/dbraw/zinc/39/17/76/158391776.db2.gz GIBIUCJJXROFHC-NEPJUHHUSA-N 0 0 307.460 0.695 10 0 DCAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000172232728 158391805 /nfs/dbraw/zinc/39/18/05/158391805.db2.gz IIWKDFVPVIGCGL-LLVKDONJSA-N 0 0 303.428 0.852 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000172408770 158393980 /nfs/dbraw/zinc/39/39/80/158393980.db2.gz GRFQRRJRWXREOP-LBPRGKRZSA-N 0 0 324.402 0.370 10 0 DCAERN NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccccn2)cc1 ZINC000172495003 158394997 /nfs/dbraw/zinc/39/49/97/158394997.db2.gz VNLULNLANOUSCK-UHFFFAOYSA-N 0 0 312.329 0.227 10 0 DCAERN CCNS(=O)(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000172442659 158394999 /nfs/dbraw/zinc/39/49/99/158394999.db2.gz UHQVLCCRAWXXTJ-UHFFFAOYSA-N 0 0 316.383 0.488 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000172764194 158399711 /nfs/dbraw/zinc/39/97/11/158399711.db2.gz MFUPZGVFMNHDDL-UHFFFAOYSA-N 0 0 305.338 0.532 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000175174502 158425420 /nfs/dbraw/zinc/42/54/20/158425420.db2.gz MPGORXMGBUJOBG-NEPJUHHUSA-N 0 0 307.398 0.880 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000176852301 158442645 /nfs/dbraw/zinc/44/26/45/158442645.db2.gz OAPPONJNJMSZIZ-GVXVVHGQSA-N 0 0 306.366 0.430 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)cn1 ZINC000176890797 158442811 /nfs/dbraw/zinc/44/28/11/158442811.db2.gz DBZKTVFWTCUGLW-NSHDSACASA-N 0 0 316.365 0.246 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)CC(C)(C)C)C1 ZINC000176923181 158443361 /nfs/dbraw/zinc/44/33/61/158443361.db2.gz BGVWULYWMSOKDX-UHFFFAOYSA-N 0 0 300.399 0.803 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178704286 158462101 /nfs/dbraw/zinc/46/21/01/158462101.db2.gz FSDITXXDSZCKJF-STQMWFEESA-N 0 0 300.380 0.057 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178727515 158463550 /nfs/dbraw/zinc/46/35/50/158463550.db2.gz YDULIXKIDJRVKU-STQMWFEESA-N 0 0 305.378 0.716 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179047521 158468683 /nfs/dbraw/zinc/46/86/83/158468683.db2.gz GJQOJLOCARLUOM-NEPJUHHUSA-N 0 0 301.302 0.696 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3noc(C)n3)C2=O)n(C)n1 ZINC000179947871 158476861 /nfs/dbraw/zinc/47/68/61/158476861.db2.gz SHUSBKQJRKZRQN-SNVBAGLBSA-N 0 0 318.337 0.345 10 0 DCAERN NS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181279175 158483428 /nfs/dbraw/zinc/48/34/28/158483428.db2.gz YMYZVKZTJMYZIK-NSHDSACASA-N 0 0 307.379 0.855 10 0 DCAERN CCOCCNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182247183 158490673 /nfs/dbraw/zinc/49/06/73/158490673.db2.gz ZLVKMCLQALNRCM-ZDUSSCGKSA-N 0 0 306.366 0.913 10 0 DCAERN COCC(=O)NC1CN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000185248565 158517456 /nfs/dbraw/zinc/51/74/56/158517456.db2.gz QWHSAYLSSPHEHD-UHFFFAOYSA-N 0 0 306.337 0.831 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188885543 158547827 /nfs/dbraw/zinc/54/78/27/158547827.db2.gz PDLQQALYJRWUCJ-GWCFXTLKSA-N 0 0 306.410 0.953 10 0 DCAERN NC(=O)NCCC(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000188999919 158549047 /nfs/dbraw/zinc/54/90/47/158549047.db2.gz WOOQOBPBGLJDGU-UHFFFAOYSA-N 0 0 300.322 0.231 10 0 DCAERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189208102 158550142 /nfs/dbraw/zinc/55/01/42/158550142.db2.gz WJRAFUJYKAGFBK-FDYHWXHSSA-N 0 0 300.424 0.759 10 0 DCAERN Cn1cc(C(=O)C(=O)N2Cc3cnnn3Cc3ccccc32)cn1 ZINC000189303845 158551033 /nfs/dbraw/zinc/55/10/33/158551033.db2.gz LSIVYUUSNOMZPD-UHFFFAOYSA-N 0 0 322.328 0.789 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)NCCC(=O)NC(N)=O ZINC000190603587 158562264 /nfs/dbraw/zinc/56/22/64/158562264.db2.gz IVVGOUNRNIUSPR-UHFFFAOYSA-N 0 0 310.379 0.719 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[C@H](O)C3)C2)cn1 ZINC000190855851 158563889 /nfs/dbraw/zinc/56/38/89/158563889.db2.gz SJKIJJZBPQMEDT-IPYPFGDCSA-N 0 0 321.425 0.849 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCC(=O)N1CCCCCC1 ZINC000191325964 158567160 /nfs/dbraw/zinc/56/71/60/158567160.db2.gz XRNCNPFKEYAWFC-CYBMUJFWSA-N 0 0 324.425 0.699 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000193454067 158583664 /nfs/dbraw/zinc/58/36/64/158583664.db2.gz WMMXTYCUUQKWEJ-GBJTYRQASA-N 0 0 312.410 0.536 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCCC[C@H]1C(N)=O ZINC000194997675 158603470 /nfs/dbraw/zinc/60/34/70/158603470.db2.gz KEXJHGSPNPFNPF-ZDUSSCGKSA-N 0 0 303.362 0.591 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195289146 158608633 /nfs/dbraw/zinc/60/86/33/158608633.db2.gz LBBPRNHWELPYRR-LLVKDONJSA-N 0 0 323.397 0.969 10 0 DCAERN CO[C@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CC[C@H]1C ZINC000221262763 158615773 /nfs/dbraw/zinc/61/57/73/158615773.db2.gz LQLJBECFYBBVQM-SCZZXKLOSA-N 0 0 318.420 0.893 10 0 DCAERN Cc1oc(C(=O)NCC[C@H]2CCOC2)cc1S(N)(=O)=O ZINC000230169085 158622998 /nfs/dbraw/zinc/62/29/98/158622998.db2.gz BKYDZKHJUJNXFK-VIFPVBQESA-N 0 0 302.352 0.392 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000245673533 158651769 /nfs/dbraw/zinc/65/17/69/158651769.db2.gz FKGFTKOUGKUYAL-JFGNBEQYSA-N 0 0 312.391 0.605 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000246080620 158657320 /nfs/dbraw/zinc/65/73/20/158657320.db2.gz GRERGURJMUMUGV-NEPJUHHUSA-N 0 0 316.427 0.362 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246266486 158660182 /nfs/dbraw/zinc/66/01/82/158660182.db2.gz ZNARTXSBABKICO-APHBMKBZSA-N 0 0 318.373 0.936 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1CCCC1=O ZINC000249314536 158706043 /nfs/dbraw/zinc/70/60/43/158706043.db2.gz JNRNOXZZKBJNNW-UPJWGTAASA-N 0 0 308.378 0.942 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000276380097 158926755 /nfs/dbraw/zinc/92/67/55/158926755.db2.gz WNDYMMXWCPUPSU-NSHDSACASA-N 0 0 322.745 0.090 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2cc(Cl)nc(N)n2)C1 ZINC000302584011 158981304 /nfs/dbraw/zinc/98/13/04/158981304.db2.gz UPYIJUNODJGEGO-UHFFFAOYSA-N 0 0 305.791 0.406 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000328651088 159017698 /nfs/dbraw/zinc/01/76/98/159017698.db2.gz JNXPWJWTFNDZJP-GFCCVEGCSA-N 0 0 305.313 0.296 10 0 DCAERN CN1C(=O)CC[C@H]1C(=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000328665251 159018691 /nfs/dbraw/zinc/01/86/91/159018691.db2.gz ZASGKTALPMEJMR-KGLIPLIRSA-N 0 0 305.353 0.919 10 0 DCAERN O=C([C@@H]1COCCN1CC1CCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328669657 159019450 /nfs/dbraw/zinc/01/94/50/159019450.db2.gz FXBXFISAOZIYHU-ZNMIVQPWSA-N 0 0 310.394 0.114 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H](C)O1 ZINC000328767137 159027821 /nfs/dbraw/zinc/02/78/21/159027821.db2.gz FNQQGPRJCSZRIT-FCHSOHFDSA-N 0 0 309.366 0.547 10 0 DCAERN C[C@H](CC(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCCC1=O ZINC000328791244 159029903 /nfs/dbraw/zinc/02/99/03/159029903.db2.gz ZEHKYYUVCFOQCS-NEPJUHHUSA-N 0 0 316.423 0.423 10 0 DCAERN COCc1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cs1 ZINC000328902463 159039047 /nfs/dbraw/zinc/03/90/47/159039047.db2.gz GQIFVEJKGNZPGX-NEPJUHHUSA-N 0 0 311.407 0.835 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000328908550 159040232 /nfs/dbraw/zinc/04/02/32/159040232.db2.gz DAWJTBZOEXRCTP-ZIAGYGMSSA-N 0 0 302.378 0.944 10 0 DCAERN COC1CCN(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328932289 159043276 /nfs/dbraw/zinc/04/32/76/159043276.db2.gz PCHHPSOFCYAPCL-OAHLLOKOSA-N 0 0 323.397 0.336 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCC1=O ZINC000328986236 159049781 /nfs/dbraw/zinc/04/97/81/159049781.db2.gz ZWXNEVGMIUMFTC-ZIAGYGMSSA-N 0 0 323.437 0.614 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cn1cccnc1=O ZINC000329106150 159063516 /nfs/dbraw/zinc/06/35/16/159063516.db2.gz DGKCKTNZIYJPJQ-CYBMUJFWSA-N 0 0 315.377 0.957 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CCC[C@H]1Cn1ccnn1 ZINC000329152823 159067270 /nfs/dbraw/zinc/06/72/70/159067270.db2.gz AVBBMIZNZXKUFI-VIFPVBQESA-N 0 0 313.321 0.560 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](n3cccn3)C2)C1 ZINC000329146906 159067670 /nfs/dbraw/zinc/06/76/70/159067670.db2.gz XKHFGGYQZHFXSB-ZBFHGGJFSA-N 0 0 320.393 0.420 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329159139 159068540 /nfs/dbraw/zinc/06/85/40/159068540.db2.gz DDGMKOGITFVRFR-MNOVXSKESA-N 0 0 321.410 0.578 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]([C@H]3CCOC3)C2)O1 ZINC000329248359 159076890 /nfs/dbraw/zinc/07/68/90/159076890.db2.gz WPSMWQUXCKOHHH-FQUUOJAGSA-N 0 0 310.394 0.507 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc3ccncc32)CCS1(=O)=O ZINC000329271509 159078283 /nfs/dbraw/zinc/07/82/83/159078283.db2.gz ICYXHFCAFDESMP-SNVBAGLBSA-N 0 0 305.359 0.889 10 0 DCAERN CC[C@H]1COCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329348252 159083940 /nfs/dbraw/zinc/08/39/40/159083940.db2.gz VWUAWEDWZLAOHY-CYZMBNFOSA-N 0 0 310.354 0.115 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000329429743 159091533 /nfs/dbraw/zinc/09/15/33/159091533.db2.gz KAJCNIJNZIFNIO-CZUORRHYSA-N 0 0 323.437 0.709 10 0 DCAERN CN(C(=O)CS(=O)(=O)C1CCCC1)[C@H]1CN2CCC1CC2 ZINC000329434251 159092751 /nfs/dbraw/zinc/09/27/51/159092751.db2.gz IUYPMKXGNHYLGQ-AWEZNQCLSA-N 0 0 314.451 0.896 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000329510050 159097902 /nfs/dbraw/zinc/09/79/02/159097902.db2.gz XIQUHOQBSYMTTK-CABCVRRESA-N 0 0 323.437 0.568 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3C)CCO2)cn1 ZINC000329529805 159100316 /nfs/dbraw/zinc/10/03/16/159100316.db2.gz VJNPUYNCKLCXLG-OLZOCXBDSA-N 0 0 306.366 0.424 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329565132 159103113 /nfs/dbraw/zinc/10/31/13/159103113.db2.gz OEVVTDBXQVGGOH-CABCVRRESA-N 0 0 324.421 0.901 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)sc1C ZINC000329622035 159107289 /nfs/dbraw/zinc/10/72/89/159107289.db2.gz NDVRVWMBFQCVHM-SSDOTTSWSA-N 0 0 324.449 0.568 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)nn1 ZINC000329627315 159107353 /nfs/dbraw/zinc/10/73/53/159107353.db2.gz GWXUKUUFDLRWAJ-YRRQLQLVSA-N 0 0 310.354 0.114 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCOC[C@H]2C2CC2)nn1 ZINC000329644147 159108013 /nfs/dbraw/zinc/10/80/13/159108013.db2.gz JBMBHISOVNHXSI-BFHYXJOUSA-N 0 0 322.365 0.115 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[C@H]1CCOC1 ZINC000329793378 159119875 /nfs/dbraw/zinc/11/98/75/159119875.db2.gz VMZQEAZGPAYZCP-LLVKDONJSA-N 0 0 324.402 0.910 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCN2C(=O)N=NC2C1)c1ccccc1 ZINC000329808166 159120679 /nfs/dbraw/zinc/12/06/79/159120679.db2.gz ANEWJEMUOFKBPD-NSHDSACASA-N 0 0 322.390 0.933 10 0 DCAERN O=C(C[C@H]1CCOC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000329823020 159122173 /nfs/dbraw/zinc/12/21/73/159122173.db2.gz HLYCVSHBLMHHRH-ZIAGYGMSSA-N 0 0 310.394 0.510 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000329850863 159123907 /nfs/dbraw/zinc/12/39/07/159123907.db2.gz ZZBWRZUAZNSELI-HUUCEWRRSA-N 0 0 309.410 0.321 10 0 DCAERN O=C(CCc1nc(-c2ncccn2)no1)N1CC(O)(C2CC2)C1 ZINC000329930825 159129218 /nfs/dbraw/zinc/12/92/18/159129218.db2.gz ZXIJBMWXPFTVIH-UHFFFAOYSA-N 0 0 315.333 0.443 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCCNC(=O)[C@H]3C)nc2n1 ZINC000329924726 159129399 /nfs/dbraw/zinc/12/93/99/159129399.db2.gz HTTDJZULMDAFDD-LLVKDONJSA-N 0 0 316.365 0.861 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCCNC(=O)[C@@H]1C)n1cccn1 ZINC000329975161 159133010 /nfs/dbraw/zinc/13/30/10/159133010.db2.gz DMTDBJKRNZPMCY-NWDGAFQWSA-N 0 0 321.381 0.480 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@H](c2ncon2)C1)N1CCCCC1=O ZINC000330018827 159136198 /nfs/dbraw/zinc/13/61/98/159136198.db2.gz UDRLLCAHRMPMAE-NEPJUHHUSA-N 0 0 322.365 0.761 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000330040414 159136653 /nfs/dbraw/zinc/13/66/53/159136653.db2.gz FSQZAFDZLIXYSE-CMPLNLGQSA-N 0 0 307.354 0.676 10 0 DCAERN O=C([C@@H]1CCCO1)N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000330090956 159140948 /nfs/dbraw/zinc/14/09/48/159140948.db2.gz XHPFHWZRTKFNSA-KBPBESRZSA-N 0 0 307.394 0.073 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCO[C@@H](C2CC2)C1)n1cccn1 ZINC000330128790 159144153 /nfs/dbraw/zinc/14/41/53/159144153.db2.gz JPMACSPARFCJPV-GXTWGEPZSA-N 0 0 320.393 0.540 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@H]1CCOC1 ZINC000330194426 159149896 /nfs/dbraw/zinc/14/98/96/159149896.db2.gz OSUNWXSGQKVODI-KGLIPLIRSA-N 0 0 318.439 0.828 10 0 DCAERN CCOc1oc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)nc1C ZINC000330205426 159150629 /nfs/dbraw/zinc/15/06/29/159150629.db2.gz CMEPUGIELMJISQ-VIFPVBQESA-N 0 0 316.379 0.888 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000330237329 159153717 /nfs/dbraw/zinc/15/37/17/159153717.db2.gz UTNRIQNEXOYBJG-BPLDGKMQSA-N 0 0 309.410 0.319 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000330254718 159154687 /nfs/dbraw/zinc/15/46/87/159154687.db2.gz AYXFSFYBJGJXTM-TYNCELHUSA-N 0 0 320.393 0.495 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000330405138 159169521 /nfs/dbraw/zinc/16/95/21/159169521.db2.gz XRZMBYIVTBGNAR-LBPRGKRZSA-N 0 0 311.426 0.864 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000330506539 159182612 /nfs/dbraw/zinc/18/26/12/159182612.db2.gz DFLWQBWZHOOUDL-IUCAKERBSA-N 0 0 307.318 0.735 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000332723410 159210707 /nfs/dbraw/zinc/21/07/07/159210707.db2.gz PCEXZBBWGXQXOS-NWDGAFQWSA-N 0 0 319.409 0.802 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)C1CC1)CC2 ZINC000332852760 159215629 /nfs/dbraw/zinc/21/56/29/159215629.db2.gz BGIMXJXITJBGER-NWDGAFQWSA-N 0 0 307.398 0.786 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332967750 159218264 /nfs/dbraw/zinc/21/82/64/159218264.db2.gz QSOCPOXHTBDZOW-VHSXEESVSA-N 0 0 306.370 0.361 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000332982092 159218414 /nfs/dbraw/zinc/21/84/14/159218414.db2.gz PKZJJBPKDUUFSC-OBJOEFQTSA-N 0 0 307.398 0.953 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000332964450 159218418 /nfs/dbraw/zinc/21/84/18/159218418.db2.gz KMOGJHPZSNULAM-CHWSQXEVSA-N 0 0 310.398 0.611 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H](C)c1noc(COCC)n1 ZINC000358479764 159255525 /nfs/dbraw/zinc/25/55/25/159255525.db2.gz PBNTVYUMWSZJHT-SECBINFHSA-N 0 0 313.358 0.493 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000360295085 159266011 /nfs/dbraw/zinc/26/60/11/159266011.db2.gz AAHUAKDPBVUKGL-UHFFFAOYSA-N 0 0 323.397 0.231 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000367756864 159354599 /nfs/dbraw/zinc/35/45/99/159354599.db2.gz YEZZWYJZILUVSD-RYUDHWBXSA-N 0 0 320.370 0.668 10 0 DCAERN O=S(=O)(C1CN(Cc2cc[nH]n2)C1)N1CCc2ccccc21 ZINC000367883456 159361720 /nfs/dbraw/zinc/36/17/20/159361720.db2.gz BWWZOTAAOCVLBT-UHFFFAOYSA-N 0 0 318.402 0.986 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCO1 ZINC000368151886 159378785 /nfs/dbraw/zinc/37/87/85/159378785.db2.gz ODXSJYNUPIUMMZ-AGIUHOORSA-N 0 0 312.366 0.527 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000368435220 159394577 /nfs/dbraw/zinc/39/45/77/159394577.db2.gz YKCOITKJUHPPNH-IJLUTSLNSA-N 0 0 313.427 0.925 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000368490956 159398349 /nfs/dbraw/zinc/39/83/49/159398349.db2.gz RFPPVZVLYIIKIQ-IETSOEAISA-N 0 0 324.327 0.907 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(F)(F)CN2)cn1 ZINC000368625579 159406179 /nfs/dbraw/zinc/40/61/79/159406179.db2.gz PTCJTBJZIXFCPQ-QMMMGPOBSA-N 0 0 305.306 0.421 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCN(CC(F)F)CC2)C1 ZINC000369976717 159490250 /nfs/dbraw/zinc/49/02/50/159490250.db2.gz MCHAVUUGLCHALB-AWEZNQCLSA-N 0 0 303.353 0.654 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N1CCCC12CCC2 ZINC000370128951 159499839 /nfs/dbraw/zinc/49/98/39/159499839.db2.gz BSRICGPSQKQKGZ-UHFFFAOYSA-N 0 0 304.412 0.487 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)NCc1cccc2c1OCO2 ZINC000371248284 159555370 /nfs/dbraw/zinc/55/53/70/159555370.db2.gz BIPYPBKKDDTWDT-GFCCVEGCSA-N 0 0 306.318 0.279 10 0 DCAERN O=C(NCc1ccco1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000371824282 159588743 /nfs/dbraw/zinc/58/87/43/159588743.db2.gz KCEDUAWDOSZZQQ-CYBMUJFWSA-N 0 0 307.350 0.859 10 0 DCAERN O=C(c1cc(F)cc2nc[nH]c21)N1CCN2CCOC[C@@H]2C1 ZINC000371870211 159591443 /nfs/dbraw/zinc/59/14/43/159591443.db2.gz ODQNHHKEEWKBCD-NSHDSACASA-N 0 0 304.325 0.859 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)[C@H]1C[C@]12CCOC2 ZINC000372256859 159610986 /nfs/dbraw/zinc/61/09/86/159610986.db2.gz YMFZOPLESQPRSI-PBHICJAKSA-N 0 0 317.389 0.961 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC000373180770 159666174 /nfs/dbraw/zinc/66/61/74/159666174.db2.gz WKIMGLYXMDOTRX-RWMBFGLXSA-N 0 0 318.439 0.730 10 0 DCAERN COCC[C@H]1CCCCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000373346680 159675696 /nfs/dbraw/zinc/67/56/96/159675696.db2.gz RTHFABVQDGTCNP-GFCCVEGCSA-N 0 0 311.382 0.546 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000374941487 159761218 /nfs/dbraw/zinc/76/12/18/159761218.db2.gz BXISPOGSYGPCTM-DGCLKSJQSA-N 0 0 318.439 0.732 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000377106126 159898665 /nfs/dbraw/zinc/89/86/65/159898665.db2.gz YIJUIRDTUBEIOK-SCZZXKLOSA-N 0 0 305.356 0.116 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)C(=O)N2CCC[C@@H](C)C2)n1 ZINC000407987816 160003884 /nfs/dbraw/zinc/00/38/84/160003884.db2.gz FJRAVBKZOHXEND-ADEWGFFLSA-N 0 0 322.365 0.271 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)C1 ZINC000407987418 160003970 /nfs/dbraw/zinc/00/39/70/160003970.db2.gz PTGPXKZTEJODAR-AAEUAGOBSA-N 0 0 312.414 0.903 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)C1 ZINC000407991387 160005374 /nfs/dbraw/zinc/00/53/74/160005374.db2.gz UXRITFUFCFZLAO-KBUPBQIOSA-N 0 0 324.421 0.633 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CC2 ZINC000407992389 160005724 /nfs/dbraw/zinc/00/57/24/160005724.db2.gz SDKBJEJAFINMMG-VXGBXAGGSA-N 0 0 319.409 0.530 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CC(O)(CC)C1 ZINC000407995564 160005927 /nfs/dbraw/zinc/00/59/27/160005927.db2.gz KUOWXLZGQUMWHO-MNOVXSKESA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000407994049 160006048 /nfs/dbraw/zinc/00/60/48/160006048.db2.gz YVPKSZBTXZUHIW-LBPRGKRZSA-N 0 0 308.407 0.757 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000407994219 160006131 /nfs/dbraw/zinc/00/61/31/160006131.db2.gz APPYGUDUSKALFR-GFCCVEGCSA-N 0 0 303.428 0.612 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000407995720 160006204 /nfs/dbraw/zinc/00/62/04/160006204.db2.gz JJQTVJLIPJRQJP-GHMZBOCLSA-N 0 0 315.395 0.633 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407996360 160006291 /nfs/dbraw/zinc/00/62/91/160006291.db2.gz KVWANIDHRYYWFP-ZYHUDNBSSA-N 0 0 322.386 0.441 10 0 DCAERN CCCN(C(=O)[C@@H]1CCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000408002207 160007805 /nfs/dbraw/zinc/00/78/05/160007805.db2.gz CVFPIALFLNZIMF-OLZOCXBDSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)C1 ZINC000408002610 160008045 /nfs/dbraw/zinc/00/80/45/160008045.db2.gz GKFYMLDKHSERKF-BDAKNGLRSA-N 0 0 304.334 0.866 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@H](CO)c2cnn(C)c2)C1 ZINC000408006239 160009096 /nfs/dbraw/zinc/00/90/96/160009096.db2.gz ZCEUFCFRBMATNX-JQWIXIFHSA-N 0 0 302.400 0.020 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCOCC1 ZINC000408011614 160010205 /nfs/dbraw/zinc/01/02/05/160010205.db2.gz YUBFIRWHBCGBOT-VWYCJHECSA-N 0 0 310.316 0.621 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CC1(O)CCCCC1 ZINC000408012511 160010685 /nfs/dbraw/zinc/01/06/85/160010685.db2.gz KNWHKDMKYHSWEG-LBPRGKRZSA-N 0 0 303.424 0.965 10 0 DCAERN CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCOCC1 ZINC000408013315 160011085 /nfs/dbraw/zinc/01/10/85/160011085.db2.gz KZHSGZYKCPRURB-RYUDHWBXSA-N 0 0 319.423 0.248 10 0 DCAERN CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)N1CCCCC1 ZINC000408015181 160011104 /nfs/dbraw/zinc/01/11/04/160011104.db2.gz BATGCAWINXRLMD-NEPJUHHUSA-N 0 0 308.444 0.465 10 0 DCAERN C[C@@H](O)[C@H]1C[C@H](C)CCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015552 160011326 /nfs/dbraw/zinc/01/13/26/160011326.db2.gz CIAONWUOXPCCSR-FDYHWXHSSA-N 0 0 318.439 0.707 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000408016344 160011730 /nfs/dbraw/zinc/01/17/30/160011730.db2.gz HDZLFDSSOJMZSV-VXNVDRBHSA-N 0 0 300.302 0.337 10 0 DCAERN C[C@@H]1C[C@@H](N(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CCN1C ZINC000408016542 160011829 /nfs/dbraw/zinc/01/18/29/160011829.db2.gz ICGHYTIJZVLPGU-AGIUHOORSA-N 0 0 317.455 0.640 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018727 160012758 /nfs/dbraw/zinc/01/27/58/160012758.db2.gz VGKCHTXARPTZKJ-HTQZYQBOSA-N 0 0 318.317 0.080 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000408021922 160013645 /nfs/dbraw/zinc/01/36/45/160013645.db2.gz KJNWRMXOWWHODT-NEPJUHHUSA-N 0 0 313.423 0.425 10 0 DCAERN COc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc(C)n1 ZINC000408022677 160014008 /nfs/dbraw/zinc/01/40/08/160014008.db2.gz NDWJQHWJPCIPAA-UONOGXRCSA-N 0 0 305.378 0.944 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408028866 160015685 /nfs/dbraw/zinc/01/56/85/160015685.db2.gz GGBOQORXTGVCSX-UKKRHICBSA-N 0 0 309.359 0.063 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)COC3)C[C@H]1C(N)=O ZINC000408030873 160016543 /nfs/dbraw/zinc/01/65/43/160016543.db2.gz OGCCHQMQRDMWER-NOZJJQNGSA-N 0 0 310.375 0.459 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408040565 160019800 /nfs/dbraw/zinc/01/98/00/160019800.db2.gz CEFWNRPOQZVSLI-YNEHKIRRSA-N 0 0 309.414 0.790 10 0 DCAERN CCNC(=O)NC(=O)CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408042443 160020377 /nfs/dbraw/zinc/02/03/77/160020377.db2.gz HGXWKZCVFKANTM-JHJVBQTASA-N 0 0 313.398 0.084 10 0 DCAERN C[C@H]1CC[S@@](=O)CCN1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000408044809 160021281 /nfs/dbraw/zinc/02/12/81/160021281.db2.gz WUKUMBTXLJCXFT-JLTPVHFHSA-N 0 0 310.379 0.555 10 0 DCAERN CNS(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408046362 160021651 /nfs/dbraw/zinc/02/16/51/160021651.db2.gz WGAVVRHKDINEBT-MCIONIFRSA-N 0 0 320.455 0.178 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CCO2 ZINC000408046459 160022056 /nfs/dbraw/zinc/02/20/56/160022056.db2.gz CEXACIWWDFWREX-RWSFTLGLSA-N 0 0 306.366 0.316 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)[C@H]1C ZINC000408047327 160022872 /nfs/dbraw/zinc/02/28/72/160022872.db2.gz PNXLEUZXDNSVLD-JYKNGBAOSA-N 0 0 311.426 0.502 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H]1C(N)=O ZINC000408048060 160023119 /nfs/dbraw/zinc/02/31/19/160023119.db2.gz UXWPXCWJQMDVRJ-KQTLUZQSSA-N 0 0 323.437 0.742 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(OCC3CC3)CC2)C1 ZINC000408053783 160024436 /nfs/dbraw/zinc/02/44/36/160024436.db2.gz PNVWWIFZIUIKDZ-KRWDZBQOSA-N 0 0 324.421 0.777 10 0 DCAERN CC(C)[C@H]1CCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408056466 160025137 /nfs/dbraw/zinc/02/51/37/160025137.db2.gz HTMFQXJUJBFTBT-GFCCVEGCSA-N 0 0 303.366 0.777 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000408062914 160026500 /nfs/dbraw/zinc/02/65/00/160026500.db2.gz RSMROOJVCZBLLV-YUMQZZPRSA-N 0 0 307.272 0.092 10 0 DCAERN CCn1nc(C)c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1C ZINC000408063471 160026568 /nfs/dbraw/zinc/02/65/68/160026568.db2.gz IYEAQACRXZNKHH-NEPJUHHUSA-N 0 0 305.382 0.758 10 0 DCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408065146 160026718 /nfs/dbraw/zinc/02/67/18/160026718.db2.gz ZIMWGVHGISHCJM-RYUDHWBXSA-N 0 0 310.394 0.903 10 0 DCAERN CSC1(CNC(=O)[C@]2(O)CCCN(C(C)=O)C2)CCC1 ZINC000408062322 160026719 /nfs/dbraw/zinc/02/67/19/160026719.db2.gz YRLKSTCUEXUOFX-AWEZNQCLSA-N 0 0 300.424 0.762 10 0 DCAERN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)N2CCC2)c1 ZINC000408068232 160027595 /nfs/dbraw/zinc/02/75/95/160027595.db2.gz RZQAFLDYVYLKLJ-UHFFFAOYSA-N 0 0 319.408 0.729 10 0 DCAERN CCn1nncc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408073409 160029154 /nfs/dbraw/zinc/02/91/54/160029154.db2.gz LKNWHYQJBVUACR-IACUBPJLSA-N 0 0 308.382 0.690 10 0 DCAERN CCC1(O)CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000408073055 160029294 /nfs/dbraw/zinc/02/92/94/160029294.db2.gz UTRXCKZOEBYHAX-UHFFFAOYSA-N 0 0 323.393 0.470 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCN2CCOC[C@H]2C)C1 ZINC000408076533 160029992 /nfs/dbraw/zinc/02/99/92/160029992.db2.gz KDSXKEZWTZMNLE-CHWSQXEVSA-N 0 0 305.444 0.273 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076261 160030261 /nfs/dbraw/zinc/03/02/61/160030261.db2.gz GBXJIQPSWGDOMK-VHSXEESVSA-N 0 0 317.345 0.744 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408073768 160030282 /nfs/dbraw/zinc/03/02/82/160030282.db2.gz MXZFRIXHSJNFSP-WDEREUQCSA-N 0 0 305.444 0.856 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)CCO1 ZINC000408084155 160031409 /nfs/dbraw/zinc/03/14/09/160031409.db2.gz NCKUKYDRZOZAST-FVCCEPFGSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000408081877 160031646 /nfs/dbraw/zinc/03/16/46/160031646.db2.gz FMEBEZUIMUZARE-DCAQKATOSA-N 0 0 306.366 0.640 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)COc3ccccc32)C[C@H]1O ZINC000408091074 160033166 /nfs/dbraw/zinc/03/31/66/160033166.db2.gz GNCIQXCTEOIPFG-WCQYABFASA-N 0 0 304.346 0.641 10 0 DCAERN CC1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000408090007 160033269 /nfs/dbraw/zinc/03/32/69/160033269.db2.gz UEZSLGFKSUKFJG-OCCSQVGLSA-N 0 0 307.394 0.418 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)o1 ZINC000408098256 160035033 /nfs/dbraw/zinc/03/50/33/160035033.db2.gz SNGRWCPSZNSRHI-WCQYABFASA-N 0 0 314.407 0.929 10 0 DCAERN C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CCS1(=O)=O ZINC000408110126 160038082 /nfs/dbraw/zinc/03/80/82/160038082.db2.gz LICKRQOUBKGLHN-SNVBAGLBSA-N 0 0 318.420 0.499 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000408111912 160038165 /nfs/dbraw/zinc/03/81/65/160038165.db2.gz IRXZAUSXHRXSTC-VXGBXAGGSA-N 0 0 313.398 0.491 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000408109493 160038254 /nfs/dbraw/zinc/03/82/54/160038254.db2.gz GOJWMEMZTRAYAQ-NEPJUHHUSA-N 0 0 304.412 0.174 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CCN(C)C[C@@H]2C)C1=O ZINC000408112631 160039024 /nfs/dbraw/zinc/03/90/24/160039024.db2.gz MUILDSSYYJMQAA-NSHDSACASA-N 0 0 310.398 0.260 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(C)C[C@H]2C)C1=O ZINC000408112193 160039111 /nfs/dbraw/zinc/03/91/11/160039111.db2.gz JENXOYMPYSSPOB-CHWSQXEVSA-N 0 0 317.389 0.963 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)C1 ZINC000408126990 160043125 /nfs/dbraw/zinc/04/31/25/160043125.db2.gz UHGIIYMNDIKTAN-ZDUSSCGKSA-N 0 0 324.425 0.459 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000408129844 160043515 /nfs/dbraw/zinc/04/35/15/160043515.db2.gz RWAPNTKIIKMHFH-STQMWFEESA-N 0 0 309.410 0.618 10 0 DCAERN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000408153531 160049072 /nfs/dbraw/zinc/04/90/72/160049072.db2.gz KUIJWDBANZGDIC-QWRGUYRKSA-N 0 0 312.391 0.992 10 0 DCAERN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000408153529 160049281 /nfs/dbraw/zinc/04/92/81/160049281.db2.gz KUIJWDBANZGDIC-MNOVXSKESA-N 0 0 312.391 0.992 10 0 DCAERN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000408153524 160049339 /nfs/dbraw/zinc/04/93/39/160049339.db2.gz KUIJWDBANZGDIC-GHMZBOCLSA-N 0 0 312.391 0.992 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1)C(F)(F)F ZINC000408165022 160051043 /nfs/dbraw/zinc/05/10/43/160051043.db2.gz KRBZAROQQYAMRQ-MXWKQRLJSA-N 0 0 321.343 0.996 10 0 DCAERN CC[C@@H]1CN(C(=O)c2c[nH]cc(C)c2=O)C[C@H]1N1CCOCC1 ZINC000408169594 160051976 /nfs/dbraw/zinc/05/19/76/160051976.db2.gz RJXFMJQAHPRCQC-UKRRQHHQSA-N 0 0 319.405 0.866 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)cc1 ZINC000408173751 160052719 /nfs/dbraw/zinc/05/27/19/160052719.db2.gz CYXMKXWGHCBKJU-UHFFFAOYSA-N 0 0 310.375 0.587 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CS(=O)(=O)N(C)C ZINC000408185102 160054904 /nfs/dbraw/zinc/05/49/04/160054904.db2.gz BBRORIMTPFHNAG-NSHDSACASA-N 0 0 314.411 0.581 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2cc(F)c(F)cc21 ZINC000408186885 160055076 /nfs/dbraw/zinc/05/50/76/160055076.db2.gz XQAMDUGMOBRLRZ-UHFFFAOYSA-N 0 0 304.318 0.745 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000408190438 160056351 /nfs/dbraw/zinc/05/63/51/160056351.db2.gz YTVOIXVVJPLDIR-IACUBPJLSA-N 0 0 322.405 0.781 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nc(C)n1 ZINC000408198957 160058460 /nfs/dbraw/zinc/05/84/60/160058460.db2.gz PNDQQQIPBVFQCP-NHYWBVRUSA-N 0 0 304.394 0.886 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CC(=O)N1 ZINC000408201365 160058575 /nfs/dbraw/zinc/05/85/75/160058575.db2.gz DWOHZQICGZBHTO-BYNSBNAKSA-N 0 0 323.437 0.470 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1 ZINC000408205796 160059830 /nfs/dbraw/zinc/05/98/30/160059830.db2.gz ROGAAHDWVRNNCK-TUAOUCFPSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(=O)N1 ZINC000408205585 160059859 /nfs/dbraw/zinc/05/98/59/160059859.db2.gz QYWLTOYBFANULO-RKDXNWHRSA-N 0 0 303.318 0.985 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1O ZINC000408211118 160061039 /nfs/dbraw/zinc/06/10/39/160061039.db2.gz MSUCUDSMUDJJQI-QWRGUYRKSA-N 0 0 311.382 0.184 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)C3(O)CCCC3)CC2)n1 ZINC000408214055 160061457 /nfs/dbraw/zinc/06/14/57/160061457.db2.gz KQSASMCCUASZRC-UHFFFAOYSA-N 0 0 319.409 0.496 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000408218232 160062123 /nfs/dbraw/zinc/06/21/23/160062123.db2.gz HLLUZYAYXFQXJK-HBIQZDMRSA-N 0 0 300.424 0.916 10 0 DCAERN C[C@@H]1SCCN(S(=O)(=O)CCCS(C)(=O)=O)[C@H]1C ZINC000408217175 160062264 /nfs/dbraw/zinc/06/22/64/160062264.db2.gz DWPXDNKGRUFMBI-UWVGGRQHSA-N 0 0 315.482 0.577 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408225462 160064042 /nfs/dbraw/zinc/06/40/42/160064042.db2.gz KODQMOGVCNTVTA-PSASIEDQSA-N 0 0 312.313 0.434 10 0 DCAERN O=C(c1coc(Br)c1)N1CCN2C(=O)N=NC2C1 ZINC000408225459 160064057 /nfs/dbraw/zinc/06/40/57/160064057.db2.gz ULRIQYKTUGZBSQ-UHFFFAOYSA-N 0 0 313.111 0.995 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)[C@@H]1OC ZINC000408227471 160064163 /nfs/dbraw/zinc/06/41/63/160064163.db2.gz BUELETFFLBEAOH-RVMXOQNASA-N 0 0 306.428 0.745 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)s1 ZINC000408230846 160064814 /nfs/dbraw/zinc/06/48/14/160064814.db2.gz DIEKXJPUCFHNDG-NSHDSACASA-N 0 0 322.434 0.832 10 0 DCAERN C[C@H](Cn1cccn1)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408235065 160065958 /nfs/dbraw/zinc/06/59/58/160065958.db2.gz HACBTPVJBHJCRI-UTUOFQBUSA-N 0 0 302.400 0.215 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)N1CCOCC1 ZINC000408239371 160067272 /nfs/dbraw/zinc/06/72/72/160067272.db2.gz YIECBZUGQXCZNC-JTQLQIEISA-N 0 0 316.427 0.135 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000408243814 160068269 /nfs/dbraw/zinc/06/82/69/160068269.db2.gz BHNXVHKSPYHHPU-DYVFJYSZSA-N 0 0 321.421 0.764 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)s1 ZINC000408246504 160068600 /nfs/dbraw/zinc/06/86/00/160068600.db2.gz JYNKHOCHOFICCF-CQSZACIVSA-N 0 0 307.375 0.589 10 0 DCAERN CNC(=O)N[C@H]1CCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000408253767 160069911 /nfs/dbraw/zinc/06/99/11/160069911.db2.gz AULADICZALBCTR-LBPRGKRZSA-N 0 0 322.434 0.636 10 0 DCAERN CC[C@H]1C[C@@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408250044 160070067 /nfs/dbraw/zinc/07/00/67/160070067.db2.gz HFVWPMGAUCMNCM-MNOVXSKESA-N 0 0 303.366 0.777 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408260066 160071284 /nfs/dbraw/zinc/07/12/84/160071284.db2.gz CQCPOHVXOWBCPJ-IJLUTSLNSA-N 0 0 318.377 0.731 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC(c2nncn2CC)CC1 ZINC000408261516 160071387 /nfs/dbraw/zinc/07/13/87/160071387.db2.gz PZELAMGKOUIZIZ-UHFFFAOYSA-N 0 0 301.416 0.674 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2ccnn2C)CC[S@@]1=O ZINC000408269774 160072926 /nfs/dbraw/zinc/07/29/26/160072926.db2.gz LTNLLOOLNWXRFZ-IBGZPJMESA-N 0 0 319.452 0.732 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H]1O ZINC000408266826 160072969 /nfs/dbraw/zinc/07/29/69/160072969.db2.gz UDMRGMHWFNEOOH-LLVKDONJSA-N 0 0 316.354 0.316 10 0 DCAERN Cc1csc(N2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)n1 ZINC000408273609 160073843 /nfs/dbraw/zinc/07/38/43/160073843.db2.gz FGWFWTVGGTVHTG-UHFFFAOYSA-N 0 0 322.434 0.969 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000408275311 160074382 /nfs/dbraw/zinc/07/43/82/160074382.db2.gz XPXRAEGXPCHFIQ-ZOWXZIJZSA-N 0 0 312.366 0.034 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H](CO)O1 ZINC000408280336 160075153 /nfs/dbraw/zinc/07/51/53/160075153.db2.gz ORIDABAAHJPEJG-UWVGGRQHSA-N 0 0 306.318 0.239 10 0 DCAERN CCN(CC)C(=O)C1CCN(C(=O)C2CN(C(C)=O)C2)CC1 ZINC000408288304 160076473 /nfs/dbraw/zinc/07/64/73/160076473.db2.gz WNVLCPQDJODCEU-UHFFFAOYSA-N 0 0 309.410 0.572 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCCO2)cn1C ZINC000408285345 160076478 /nfs/dbraw/zinc/07/64/78/160076478.db2.gz FDIDPUIAESHAFS-UHFFFAOYSA-N 0 0 315.395 0.833 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000408292144 160077354 /nfs/dbraw/zinc/07/73/54/160077354.db2.gz BPRNPQHHOAKSGG-ZWNOBZJWSA-N 0 0 317.345 0.513 10 0 DCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408299178 160079844 /nfs/dbraw/zinc/07/98/44/160079844.db2.gz BETPXIUCMUTYHU-KOFHJDLBSA-N 0 0 322.405 0.829 10 0 DCAERN C[C@@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@@H]1O ZINC000408304228 160080627 /nfs/dbraw/zinc/08/06/27/160080627.db2.gz ADNYRXYKDYGJOB-MNOVXSKESA-N 0 0 304.412 0.366 10 0 DCAERN CN1CC[C@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000408306066 160081589 /nfs/dbraw/zinc/08/15/89/160081589.db2.gz OUPBITIDFJDZSV-JOYOIKCWSA-N 0 0 308.300 0.771 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[S@](=O)C1 ZINC000408306780 160081836 /nfs/dbraw/zinc/08/18/36/160081836.db2.gz RCCOBCOFJGJCGL-KALHSFGWSA-N 0 0 318.464 0.571 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H](C)C2CCOCC2)CCO1 ZINC000408310268 160082215 /nfs/dbraw/zinc/08/22/15/160082215.db2.gz RCLWRVBBQXEPIK-PWSUYJOCSA-N 0 0 300.355 0.385 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1cc(C3CC3)on1)C2 ZINC000408324589 160085366 /nfs/dbraw/zinc/08/53/66/160085366.db2.gz ODPCBVYHHAULJR-UHFFFAOYSA-N 0 0 300.318 0.844 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)[S@@](C)=O ZINC000408341164 160088072 /nfs/dbraw/zinc/08/80/72/160088072.db2.gz ZBRKZUHCNUWGSB-RYDOPVQFSA-N 0 0 312.457 0.087 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CCN(C)C[C@H]2C)c1 ZINC000408347230 160088746 /nfs/dbraw/zinc/08/87/46/160088746.db2.gz XYBJCHFOZABGMY-SECBINFHSA-N 0 0 317.436 0.432 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408350009 160089488 /nfs/dbraw/zinc/08/94/88/160089488.db2.gz NHTFHQNPJGWDMI-MLGOLLRUSA-N 0 0 323.393 0.472 10 0 DCAERN CCCNS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000408360892 160092204 /nfs/dbraw/zinc/09/22/04/160092204.db2.gz AIGPMEWTFZRXOP-JTQLQIEISA-N 0 0 301.416 0.550 10 0 DCAERN COCC(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000408363222 160092497 /nfs/dbraw/zinc/09/24/97/160092497.db2.gz VFQRGCRRGSCLOY-GFCCVEGCSA-N 0 0 313.398 0.444 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)sc1C ZINC000408366640 160093298 /nfs/dbraw/zinc/09/32/98/160093298.db2.gz MQOKHVXCRBJWIN-SECBINFHSA-N 0 0 319.452 0.447 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000408368440 160093701 /nfs/dbraw/zinc/09/37/01/160093701.db2.gz ICVICPKOMCITAY-LLVKDONJSA-N 0 0 324.402 0.928 10 0 DCAERN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000408376827 160095121 /nfs/dbraw/zinc/09/51/21/160095121.db2.gz YJQHLXBXNHERFD-MNOVXSKESA-N 0 0 316.423 0.154 10 0 DCAERN CN(C)c1nc2ccc(NC(=O)N3C[C@@H](O)[C@@H](O)C3)cc2o1 ZINC000408392331 160099103 /nfs/dbraw/zinc/09/91/03/160099103.db2.gz BIKBVWRKXNBYTP-PHIMTYICSA-N 0 0 306.322 0.463 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000408393186 160099310 /nfs/dbraw/zinc/09/93/10/160099310.db2.gz FCVGBYSHWNZVOC-RYUDHWBXSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)N[C@H](C)C1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000408403109 160100992 /nfs/dbraw/zinc/10/09/92/160100992.db2.gz CPIWZPAWRHXFQC-SECBINFHSA-N 0 0 317.397 0.687 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@]1(O)CCSC1 ZINC000408404229 160101269 /nfs/dbraw/zinc/10/12/69/160101269.db2.gz FTPAHOKFXYILHX-MFKMUULPSA-N 0 0 311.411 0.589 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@@H](CO)C2)c(F)cc1F ZINC000408434893 160107705 /nfs/dbraw/zinc/10/77/05/160107705.db2.gz SPIYJNKTCAZFOS-SECBINFHSA-N 0 0 307.318 0.655 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)C2CC2)CC1 ZINC000408446101 160109343 /nfs/dbraw/zinc/10/93/43/160109343.db2.gz GZXPYUQGHGSSJS-UHFFFAOYSA-N 0 0 303.428 0.993 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408449630 160110117 /nfs/dbraw/zinc/11/01/17/160110117.db2.gz DHUNFOBTDFMUMG-XJKSGUPXSA-N 0 0 309.410 0.496 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cn1 ZINC000408448945 160110325 /nfs/dbraw/zinc/11/03/25/160110325.db2.gz CNKFFEQLFFJHNV-SNVBAGLBSA-N 0 0 304.393 0.198 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000408452209 160110725 /nfs/dbraw/zinc/11/07/25/160110725.db2.gz MAAVVXBGWONKFZ-CYBMUJFWSA-N 0 0 301.412 0.389 10 0 DCAERN CC[C@@H](O)CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000408450584 160110828 /nfs/dbraw/zinc/11/08/28/160110828.db2.gz FWHMSJBOIWWCPJ-MNOVXSKESA-N 0 0 318.464 0.624 10 0 DCAERN NC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408454464 160111712 /nfs/dbraw/zinc/11/17/12/160111712.db2.gz XSTIYEUFSABIQT-ZIAGYGMSSA-N 0 0 309.410 0.496 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000408459241 160112462 /nfs/dbraw/zinc/11/24/62/160112462.db2.gz HXTHDWRBQHRQMI-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1=O ZINC000408460944 160113866 /nfs/dbraw/zinc/11/38/66/160113866.db2.gz SGDLXXVKCPPMNE-STQMWFEESA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000408470616 160115244 /nfs/dbraw/zinc/11/52/44/160115244.db2.gz UZTCFPYXMHLVJS-ATZCPNFKSA-N 0 0 311.411 0.860 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408472574 160115444 /nfs/dbraw/zinc/11/54/44/160115444.db2.gz VVSSQFMSTDKRQQ-QWRGUYRKSA-N 0 0 317.415 0.303 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CCO1 ZINC000408472719 160115837 /nfs/dbraw/zinc/11/58/37/160115837.db2.gz WREMLKGNWXDKER-TUAOUCFPSA-N 0 0 324.343 0.869 10 0 DCAERN COc1ncc(Cl)c(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000408469597 160115876 /nfs/dbraw/zinc/11/58/76/160115876.db2.gz PLDWLQMTMXXKHR-SSDOTTSWSA-N 0 0 306.775 0.267 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1c1ccncc1 ZINC000043804011 286885912 /nfs/dbraw/zinc/88/59/12/286885912.db2.gz FFFSFZFNJNJSIT-NWDGAFQWSA-N 0 0 302.334 0.733 10 0 DCAERN CN(CC(=O)NC(N)=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000066844631 286905363 /nfs/dbraw/zinc/90/53/63/286905363.db2.gz LMIPUVHASNVMBE-UHFFFAOYSA-N 0 0 300.265 0.030 10 0 DCAERN Cn1cnc(CNC(=O)NCCOc2ccc(F)cc2F)n1 ZINC000093792314 286937783 /nfs/dbraw/zinc/93/77/83/286937783.db2.gz NILFSLQOATVZQR-UHFFFAOYSA-N 0 0 311.292 0.972 10 0 DCAERN Cc1oc(C(=O)NCc2cscn2)cc1S(N)(=O)=O ZINC000123345894 286959980 /nfs/dbraw/zinc/95/99/80/286959980.db2.gz QALUEGGOXXIWJY-UHFFFAOYSA-N 0 0 301.349 0.622 10 0 DCAERN COCCOc1cccc(CC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000124136971 286962442 /nfs/dbraw/zinc/96/24/42/286962442.db2.gz NVMMAOQHPPNNEI-CQSZACIVSA-N 0 0 320.389 0.991 10 0 DCAERN C[C@H](CN(C1CC1)[C@H]1CCS(=O)(=O)C1)CS(C)(=O)=O ZINC000246561411 298516634 /nfs/dbraw/zinc/51/66/34/298516634.db2.gz NJAYQMDDVAUTLV-PWSUYJOCSA-N 0 0 309.453 0.319 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000126397124 286971600 /nfs/dbraw/zinc/97/16/00/286971600.db2.gz VGEIOPDDJZJYFQ-UHFFFAOYSA-N 0 0 322.390 0.730 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126573633 286972331 /nfs/dbraw/zinc/97/23/31/286972331.db2.gz NKIVHWOAZQHPEA-AAEUAGOBSA-N 0 0 318.377 0.855 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000131490579 287000592 /nfs/dbraw/zinc/00/05/92/287000592.db2.gz XDANQRVQOHIBFD-AWEZNQCLSA-N 0 0 305.378 0.314 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000133206586 287009614 /nfs/dbraw/zinc/00/96/14/287009614.db2.gz XSFTYBNEJHPPBS-AWEZNQCLSA-N 0 0 314.426 0.533 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000133780184 287012808 /nfs/dbraw/zinc/01/28/08/287012808.db2.gz BNFUEKWAYUWHOF-JTQLQIEISA-N 0 0 302.338 0.374 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135512682 287022742 /nfs/dbraw/zinc/02/27/42/287022742.db2.gz OMAVRLFHRCUMDB-WCQYABFASA-N 0 0 301.412 0.676 10 0 DCAERN CCCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000135506404 287022934 /nfs/dbraw/zinc/02/29/34/287022934.db2.gz FXWXQFXUTLHCIU-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(N2CCN(C(=O)C3CC(=O)C3)CC2)n2ncnc2n1 ZINC000136815757 287027177 /nfs/dbraw/zinc/02/71/77/287027177.db2.gz LWZXAMISMYMHCP-UHFFFAOYSA-N 0 0 314.349 0.060 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000136762054 287027222 /nfs/dbraw/zinc/02/72/22/287027222.db2.gz IMRACCPEANVLMR-NEPJUHHUSA-N 0 0 312.414 0.588 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000152109571 287038803 /nfs/dbraw/zinc/03/88/03/287038803.db2.gz MOGSIUZVTVNGKC-QWRGUYRKSA-N 0 0 323.397 0.651 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(CCOC)CC(F)F ZINC000152515086 287041983 /nfs/dbraw/zinc/04/19/83/287041983.db2.gz ZMVFLUWOLZSFBK-UHFFFAOYSA-N 0 0 318.324 0.972 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccccc1F ZINC000153230747 287048507 /nfs/dbraw/zinc/04/85/07/287048507.db2.gz SFVHDDUVNMRCIQ-LLVKDONJSA-N 0 0 316.292 0.751 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccn(C)n1 ZINC000181407033 287056582 /nfs/dbraw/zinc/05/65/82/287056582.db2.gz TXEPMEHDMCHQIC-OAHLLOKOSA-N 0 0 314.389 0.778 10 0 DCAERN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCNC(=O)CC1 ZINC000192568473 287059017 /nfs/dbraw/zinc/05/90/17/287059017.db2.gz KZWGAIBTYNAXIP-NSHDSACASA-N 0 0 304.350 0.545 10 0 DCAERN Cc1ccccc1Cc1nnn(C[C@H](O)CN2CCOCC2)n1 ZINC000193395613 287060866 /nfs/dbraw/zinc/06/08/66/287060866.db2.gz CJIAIMPXMRGWFN-OAHLLOKOSA-N 0 0 317.393 0.265 10 0 DCAERN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CNC(=O)C1)CC2 ZINC000194768713 287062440 /nfs/dbraw/zinc/06/24/40/287062440.db2.gz KOHIIXUVGKNZDV-NSHDSACASA-N 0 0 304.346 0.725 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CC[C@H](O)CC2)cc1 ZINC000245522454 287070356 /nfs/dbraw/zinc/07/03/56/287070356.db2.gz ULRCHNWJMXNFKB-JOCQHMNTSA-N 0 0 306.362 0.845 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCCC(=O)N[C@@H](C)[C@H](C)CO ZINC000245686738 287072300 /nfs/dbraw/zinc/07/23/00/287072300.db2.gz SZJZOIMBZNFEEZ-NDBYEHHHSA-N 0 0 302.415 0.423 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000246056126 287075742 /nfs/dbraw/zinc/07/57/42/287075742.db2.gz DDLHCUWYLFQIIF-MGPQQGTHSA-N 0 0 308.426 0.733 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)[C@@H](C)CO1 ZINC000246235180 287079925 /nfs/dbraw/zinc/07/99/25/287079925.db2.gz REWGWFGFILANIE-WDEREUQCSA-N 0 0 302.400 0.206 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](OCCO)C2)C1 ZINC000246321542 287081112 /nfs/dbraw/zinc/08/11/12/287081112.db2.gz YTSCWWWBOGMVEQ-QWHCGFSZSA-N 0 0 306.428 0.436 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)[C@@H](C)CO1 ZINC000246178284 287078354 /nfs/dbraw/zinc/07/83/54/287078354.db2.gz MZUGMGDYRXDSSU-XQQFMLRXSA-N 0 0 318.439 0.841 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000246576032 287085694 /nfs/dbraw/zinc/08/56/94/287085694.db2.gz RVANSYKZXUTYDI-AVGNSLFASA-N 0 0 302.330 0.720 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247407395 287093774 /nfs/dbraw/zinc/09/37/74/287093774.db2.gz YFMSHWIICSESQE-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000247136568 287091322 /nfs/dbraw/zinc/09/13/22/287091322.db2.gz QUTBWUOGYBXIOL-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000191974579 287094137 /nfs/dbraw/zinc/09/41/37/287094137.db2.gz LCIIKAVTEMFVQF-SNVBAGLBSA-N 0 0 312.439 0.974 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000248820961 287102082 /nfs/dbraw/zinc/10/20/82/287102082.db2.gz BNWPOMPYFJCGCN-NFAWXSAZSA-N 0 0 323.437 0.790 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000248863243 287102396 /nfs/dbraw/zinc/10/23/96/287102396.db2.gz ALNXLHLEJIVXBY-KPXOXKRLSA-N 0 0 316.354 0.449 10 0 DCAERN COc1ccc(CNC(=O)CN2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000248951141 287103963 /nfs/dbraw/zinc/10/39/63/287103963.db2.gz FEHWWDABQMKFKE-WFASDCNBSA-N 0 0 308.378 0.393 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)OC ZINC000248729735 287100545 /nfs/dbraw/zinc/10/05/45/287100545.db2.gz VOYAOBPXQANGFF-SRVKXCTJSA-N 0 0 306.428 0.730 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)C[C@H](C)OC)CCN1CCOC ZINC000249581031 287114775 /nfs/dbraw/zinc/11/47/75/287114775.db2.gz NJCFNGORDKHLJN-STQMWFEESA-N 0 0 308.444 0.394 10 0 DCAERN C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000249697271 287117402 /nfs/dbraw/zinc/11/74/02/287117402.db2.gz ATBIDPRSRFVCKL-VXGBXAGGSA-N 0 0 303.428 0.564 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000251291161 287119241 /nfs/dbraw/zinc/11/92/41/287119241.db2.gz NQZHUYMGKCMZDB-AAVRWANBSA-N 0 0 315.435 0.963 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@](C)(O)C2)[C@@H]1c1cccnc1 ZINC000252799253 287120976 /nfs/dbraw/zinc/12/09/76/287120976.db2.gz AIFVZHNGKDJMSY-QRTARXTBSA-N 0 0 317.389 0.974 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000253394835 287121489 /nfs/dbraw/zinc/12/14/89/287121489.db2.gz XLOVAUNMYVJQRU-NEPJUHHUSA-N 0 0 315.395 0.385 10 0 DCAERN C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)C[C@@H]1N1CCOCC1 ZINC000255673772 287126404 /nfs/dbraw/zinc/12/64/04/287126404.db2.gz HVVSNXYFOJPSQA-RWWVYYKTSA-N 0 0 317.389 0.980 10 0 DCAERN C/C=C\C[C@@H](CO)NC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000354198076 287168389 /nfs/dbraw/zinc/16/83/89/287168389.db2.gz DBMYKJRCOVLRQN-SCOBNMCVSA-N 0 0 306.362 0.868 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1C ZINC000375887034 287228617 /nfs/dbraw/zinc/22/86/17/287228617.db2.gz BKRGJIXPCOWZBE-UHFFFAOYSA-N 0 0 308.363 0.841 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000408061080 287233204 /nfs/dbraw/zinc/23/32/04/287233204.db2.gz VOWLKGSBIMNEKA-MRXNPFEDSA-N 0 0 312.410 0.776 10 0 DCAERN CC(=O)NCCCNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000031243594 415182750 /nfs/dbraw/zinc/18/27/50/415182750.db2.gz GHCHBHSHNBGCCU-OAHLLOKOSA-N 0 0 305.378 0.896 10 0 DCAERN CNC(=O)CN1CCN(c2ncncc2Br)CC1 ZINC000268452612 415216220 /nfs/dbraw/zinc/21/62/20/415216220.db2.gz JAXHPLJEWQTWLF-UHFFFAOYSA-N 0 0 314.187 0.107 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000268531556 415235532 /nfs/dbraw/zinc/23/55/32/415235532.db2.gz DHBDEZUIGQJHOV-AXFHLTTASA-N 0 0 316.365 0.482 10 0 DCAERN O=C(NCCN1CCOCC1)NC[C@H]1COc2ccccc2O1 ZINC000045546401 415245890 /nfs/dbraw/zinc/24/58/90/415245890.db2.gz DOSRLAXJOJEKBP-ZDUSSCGKSA-N 0 0 321.377 0.458 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1 ZINC000046165438 415256473 /nfs/dbraw/zinc/25/64/73/415256473.db2.gz XVWDZVLEQRDAHG-YPMHNXCESA-N 0 0 313.361 0.923 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1 ZINC000046165436 415256652 /nfs/dbraw/zinc/25/66/52/415256652.db2.gz XVWDZVLEQRDAHG-DGCLKSJQSA-N 0 0 313.361 0.923 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000046331519 415257887 /nfs/dbraw/zinc/25/78/87/415257887.db2.gz QYWCNHIEYNHVBU-KBPBESRZSA-N 0 0 303.362 0.879 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000272090775 415280334 /nfs/dbraw/zinc/28/03/34/415280334.db2.gz INOJEQSQAMBVSR-SNVBAGLBSA-N 0 0 312.347 0.314 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@@H]1OC ZINC000274942327 415364743 /nfs/dbraw/zinc/36/47/43/415364743.db2.gz MVJOXMMLNJNITB-BNOWGMLFSA-N 0 0 304.350 0.891 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000066918849 415371358 /nfs/dbraw/zinc/37/13/58/415371358.db2.gz HZQXITJSQPCDFD-QMMMGPOBSA-N 0 0 321.786 0.647 10 0 DCAERN O=C(c1ccon1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000067709262 415385539 /nfs/dbraw/zinc/38/55/39/415385539.db2.gz FARKIZICVUQWHM-UHFFFAOYSA-N 0 0 322.346 0.216 10 0 DCAERN Cc1cnn(CCNC(=O)c2cn(C)nc2[C@H]2CCOC2)c1 ZINC000276137257 415436422 /nfs/dbraw/zinc/43/64/22/415436422.db2.gz ZMQIESOBUYIWTK-LBPRGKRZSA-N 0 0 303.366 0.859 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000078241533 415460604 /nfs/dbraw/zinc/46/06/04/415460604.db2.gz LMEDDTVDQFCSEO-UHFFFAOYSA-N 0 0 308.382 0.060 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000085980023 415506195 /nfs/dbraw/zinc/50/61/95/415506195.db2.gz JIACCTUUILWGIB-CHWSQXEVSA-N 0 0 318.439 0.325 10 0 DCAERN C[C@H](CNC(=O)c1c2n(c(=O)n1C)CCCC2)Cn1cccn1 ZINC000333171107 415575619 /nfs/dbraw/zinc/57/56/19/415575619.db2.gz KIEVQTTZJBOIJB-GFCCVEGCSA-N 0 0 317.393 0.786 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)ccc2F)C1 ZINC000091414265 415533671 /nfs/dbraw/zinc/53/36/71/415533671.db2.gz OQELQQPFTKVTLA-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000093908911 415549510 /nfs/dbraw/zinc/54/95/10/415549510.db2.gz PVMVBTXTKYHHPI-GHMZBOCLSA-N 0 0 304.412 0.294 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000333309777 415607091 /nfs/dbraw/zinc/60/70/91/415607091.db2.gz NGSKBXVRTCRRBD-NSHDSACASA-N 0 0 311.407 0.336 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000103280191 415615026 /nfs/dbraw/zinc/61/50/26/415615026.db2.gz OOVWLBULNRCOLD-ZDUSSCGKSA-N 0 0 322.390 0.753 10 0 DCAERN COC[C@H]1C[C@@H](OC)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000343510639 415620955 /nfs/dbraw/zinc/62/09/55/415620955.db2.gz BXKZESNLZAJCGL-GHMZBOCLSA-N 0 0 317.345 0.799 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@](C)(O)Cc3ccccc3)C[C@H]21 ZINC000286297748 415626147 /nfs/dbraw/zinc/62/61/47/415626147.db2.gz HVLAVZGTTODSED-JFIYKMOQSA-N 0 0 318.417 0.912 10 0 DCAERN CNC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000333235642 415590030 /nfs/dbraw/zinc/59/00/30/415590030.db2.gz ACHBWVJLPDMMSK-OUCADQQQSA-N 0 0 320.393 0.482 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000333451660 415652069 /nfs/dbraw/zinc/65/20/69/415652069.db2.gz LWNCNDQPUOUEDD-MNOVXSKESA-N 0 0 316.365 0.294 10 0 DCAERN CC1(C)CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H]2COC[C@@H]21 ZINC000333580956 415691161 /nfs/dbraw/zinc/69/11/61/415691161.db2.gz ZSZIMUIIIYXTRN-WUHRBBMRSA-N 0 0 321.381 0.284 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000333469390 415660137 /nfs/dbraw/zinc/66/01/37/415660137.db2.gz NISUTZDJSTVKCC-NXEZZACHSA-N 0 0 309.395 0.432 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](CC)O1 ZINC000333480512 415661200 /nfs/dbraw/zinc/66/12/00/415661200.db2.gz FNFXLMNFAYXTIV-RFQIPJPRSA-N 0 0 323.397 0.817 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(N2CCNC2=O)C1 ZINC000333550712 415679613 /nfs/dbraw/zinc/67/96/13/415679613.db2.gz FPERISIQSVSARW-DGCLKSJQSA-N 0 0 310.398 0.467 10 0 DCAERN O=C(CN1CCS(=O)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000111222250 415691795 /nfs/dbraw/zinc/69/17/95/415691795.db2.gz MTZAXLUCQWMUIF-OLZOCXBDSA-N 0 0 300.424 0.221 10 0 DCAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000113575461 415719960 /nfs/dbraw/zinc/71/99/60/415719960.db2.gz RUBZSNBZYFUZEW-IJLUTSLNSA-N 0 0 301.412 0.052 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000115164743 415724536 /nfs/dbraw/zinc/72/45/36/415724536.db2.gz KWRIMIROQNGXAI-CYBMUJFWSA-N 0 0 311.426 0.518 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)N2CC[C@](C)(O)C2)C1 ZINC000333742790 415726980 /nfs/dbraw/zinc/72/69/80/415726980.db2.gz RPZSCZVYAXQIOM-DOMZBBRYSA-N 0 0 307.398 0.555 10 0 DCAERN C[C@]1(F)CNCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333664676 415707447 /nfs/dbraw/zinc/70/74/47/415707447.db2.gz XLNZZLYUJUIPJZ-AWEZNQCLSA-N 0 0 302.394 0.052 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](OC)C[C@@H]2CO)c(F)c1 ZINC000343746756 415708659 /nfs/dbraw/zinc/70/86/59/415708659.db2.gz UJBJCWZIQYOSRQ-NXEZZACHSA-N 0 0 318.370 0.320 10 0 DCAERN COc1ccc(OC)c(CC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112660986 415713467 /nfs/dbraw/zinc/71/34/67/415713467.db2.gz YVJFGYLVUFJKOB-GFCCVEGCSA-N 0 0 316.361 0.969 10 0 DCAERN CCCOC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000119130417 415741175 /nfs/dbraw/zinc/74/11/75/415741175.db2.gz JPQYBABTRADJDV-LBPRGKRZSA-N 0 0 318.381 0.588 10 0 DCAERN Cc1nc2ccc(NC(=O)C(=O)N3CCCSCC3)cn2n1 ZINC000290152153 415767453 /nfs/dbraw/zinc/76/74/53/415767453.db2.gz CLEFLCZHOYCLLS-UHFFFAOYSA-N 0 0 319.390 0.942 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)c1 ZINC000122347031 415832279 /nfs/dbraw/zinc/83/22/79/415832279.db2.gz QWYXRURWFKJLIY-GFCCVEGCSA-N 0 0 324.402 0.887 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC(C)(C)c1c(C)noc1C ZINC000344064813 415833072 /nfs/dbraw/zinc/83/30/72/415833072.db2.gz QXXFKAKMQHQCNL-NWDGAFQWSA-N 0 0 309.366 0.624 10 0 DCAERN CN1CCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000123302296 415841710 /nfs/dbraw/zinc/84/17/10/415841710.db2.gz GWMYZTXVMSTDKQ-LLVKDONJSA-N 0 0 303.428 0.299 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000120849511 415786831 /nfs/dbraw/zinc/78/68/31/415786831.db2.gz GCDYRCOUKMGACR-QMMMGPOBSA-N 0 0 317.267 0.983 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCC1 ZINC000334042530 415792597 /nfs/dbraw/zinc/79/25/97/415792597.db2.gz OVBBYICWLUTVQV-IJLUTSLNSA-N 0 0 301.408 0.743 10 0 DCAERN C[C@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCS1(=O)=O ZINC000121141221 415793960 /nfs/dbraw/zinc/79/39/60/415793960.db2.gz STPDLNNNJXGQNK-JTQLQIEISA-N 0 0 307.375 0.751 10 0 DCAERN CN(C)c1nc(Cn2nnn(-c3ccccc3)c2=O)ns1 ZINC000121291098 415798922 /nfs/dbraw/zinc/79/89/22/415798922.db2.gz FFVDXFIYERQOEV-UHFFFAOYSA-N 0 0 303.351 0.395 10 0 DCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000121415879 415804819 /nfs/dbraw/zinc/80/48/19/415804819.db2.gz GUAYANKLDSACLG-HOSYDEDBSA-N 0 0 301.368 0.300 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCO[C@@H]3C)cc12 ZINC000121459657 415805747 /nfs/dbraw/zinc/80/57/47/415805747.db2.gz RZJYWVFLLCXNAD-BXKDBHETSA-N 0 0 310.379 0.732 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCC1=O ZINC000122018725 415823066 /nfs/dbraw/zinc/82/30/66/415823066.db2.gz GHDDMPRRQCZTRO-YPMHNXCESA-N 0 0 316.423 0.279 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122223335 415828483 /nfs/dbraw/zinc/82/84/83/415828483.db2.gz FIGVZSGEHOQUCP-NSHDSACASA-N 0 0 314.411 0.718 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NCC(=O)NCCc1ccccc1 ZINC000126283306 415874754 /nfs/dbraw/zinc/87/47/54/415874754.db2.gz NBADEUDMAQBTBD-UHFFFAOYSA-N 0 0 313.357 0.772 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCOC[C@@H](O)C1 ZINC000295431129 415892071 /nfs/dbraw/zinc/89/20/71/415892071.db2.gz DAPQYVJDEIEFTM-AAEUAGOBSA-N 0 0 306.362 0.909 10 0 DCAERN CCCNC(=O)CCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000128273101 415893996 /nfs/dbraw/zinc/89/39/96/415893996.db2.gz JZAMLEDEBKCZJL-UHFFFAOYSA-N 0 0 300.403 0.459 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000356368932 415909095 /nfs/dbraw/zinc/90/90/95/415909095.db2.gz OBKCFCMWADVVMZ-BZPMIXESSA-N 0 0 308.334 0.161 10 0 DCAERN CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000129878637 415914436 /nfs/dbraw/zinc/91/44/36/415914436.db2.gz ARGGAKVDMVNYME-STQMWFEESA-N 0 0 312.414 0.016 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000129918650 415914729 /nfs/dbraw/zinc/91/47/29/415914729.db2.gz RIHLBQAMDPFIHK-ZDUSSCGKSA-N 0 0 315.373 0.935 10 0 DCAERN CCOCCN1CCN(C(=O)c2c[nH]c(=O)cc2C)C[C@@H]1C ZINC000130558334 415921492 /nfs/dbraw/zinc/92/14/92/415921492.db2.gz QAQVNWFVJDKXKO-ZDUSSCGKSA-N 0 0 307.394 0.866 10 0 DCAERN C[C@H](c1ccccc1)N(CC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000130834806 415925029 /nfs/dbraw/zinc/92/50/29/415925029.db2.gz XWQNAHPXQQKMPZ-GDBMZVCRSA-N 0 0 321.421 0.228 10 0 DCAERN CSCCC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000133191859 415944563 /nfs/dbraw/zinc/94/45/63/415944563.db2.gz QKRRYTQZIAEDDO-UHFFFAOYSA-N 0 0 308.450 0.896 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)NCCNC(C)=O)C1 ZINC000133413235 415946860 /nfs/dbraw/zinc/94/68/60/415946860.db2.gz IILZBQCMFAPKRL-CYBMUJFWSA-N 0 0 320.393 0.709 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)NCC(=O)C(C)C)cc12 ZINC000133668983 415948598 /nfs/dbraw/zinc/94/85/98/415948598.db2.gz CXASLPZEPNADJP-UHFFFAOYSA-N 0 0 310.379 0.780 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CCCc2n[nH]cc21)CN1CCOCC1 ZINC000134388659 415956111 /nfs/dbraw/zinc/95/61/11/415956111.db2.gz ZMUSGSVTCFAFGT-STQMWFEESA-N 0 0 306.410 0.914 10 0 DCAERN CCCc1noc(CS(=O)(=O)C[C@H](O)C(F)(F)F)n1 ZINC000158631023 416001180 /nfs/dbraw/zinc/00/11/80/416001180.db2.gz BKMLEDRXSYWDEW-LURJTMIESA-N 0 0 302.274 0.860 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)nc1 ZINC000151543176 415964223 /nfs/dbraw/zinc/96/42/23/415964223.db2.gz IPRNKQSFGXDYNT-CYBMUJFWSA-N 0 0 312.329 0.869 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)[C@H](C)C1 ZINC000151052754 415964393 /nfs/dbraw/zinc/96/43/93/415964393.db2.gz YMHIVPTUFLSBQQ-SFYZADRCSA-N 0 0 302.318 0.172 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000152619869 415967718 /nfs/dbraw/zinc/96/77/18/415967718.db2.gz LOVBIYGUDAYERK-CHWSQXEVSA-N 0 0 305.382 0.644 10 0 DCAERN CCc1cnccc1[C@H](C)NC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000356667077 415970841 /nfs/dbraw/zinc/97/08/41/415970841.db2.gz FMGNYOLOURLBBQ-VZJVUDMVSA-N 0 0 305.378 0.803 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000153325667 415978655 /nfs/dbraw/zinc/97/86/55/415978655.db2.gz XPEZDAWDOIJTTE-KCJUWKMLSA-N 0 0 321.381 0.722 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CC2 ZINC000154982823 415992786 /nfs/dbraw/zinc/99/27/86/415992786.db2.gz GZJOCDHAFVCBTI-SNVBAGLBSA-N 0 0 316.365 0.023 10 0 DCAERN CCCS(=O)(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000158530161 415999228 /nfs/dbraw/zinc/99/92/28/415999228.db2.gz OROASCSQRVIBDR-GFCCVEGCSA-N 0 0 301.412 0.905 10 0 DCAERN NS(=O)(=O)N1CCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000132642002 415933540 /nfs/dbraw/zinc/93/35/40/415933540.db2.gz HLNMHPPHQNQZJH-UHFFFAOYSA-N 0 0 314.342 0.288 10 0 DCAERN CCOCCC1(CNC(=O)Nc2cnn(CC(=O)NC)c2)CC1 ZINC000132700055 415935393 /nfs/dbraw/zinc/93/53/93/415935393.db2.gz KHMABQXADJOQPB-UHFFFAOYSA-N 0 0 323.397 0.957 10 0 DCAERN CN(C)[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000132950020 415938908 /nfs/dbraw/zinc/93/89/08/415938908.db2.gz QDQNPMPUMZOPRH-JKSUJKDBSA-N 0 0 321.421 0.099 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCCC(=O)N(C)C)c1 ZINC000172202430 416044291 /nfs/dbraw/zinc/04/42/91/416044291.db2.gz FHCATOXCGYXWFN-UHFFFAOYSA-N 0 0 314.407 0.983 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000357205841 416045341 /nfs/dbraw/zinc/04/53/41/416045341.db2.gz QBWZSUWALMRHSA-RYUDHWBXSA-N 0 0 303.428 0.658 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)CC2CCOCC2)[C@@H](C)C1 ZINC000357203544 416045834 /nfs/dbraw/zinc/04/58/34/416045834.db2.gz UMERHXUTWAUVPE-NSHDSACASA-N 0 0 304.412 0.295 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000172447006 416046103 /nfs/dbraw/zinc/04/61/03/416046103.db2.gz PGDRSOCISHRPJE-UONOGXRCSA-N 0 0 311.426 0.649 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cn1C ZINC000172610960 416047842 /nfs/dbraw/zinc/04/78/42/416047842.db2.gz TXLFMOSMSYCMAH-VHSXEESVSA-N 0 0 300.384 0.051 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCn2cccn2)[C@H](C)CO1 ZINC000173014689 416051111 /nfs/dbraw/zinc/05/11/11/416051111.db2.gz OAYGIQAHDCOVLJ-VXGBXAGGSA-N 0 0 302.400 0.217 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084988 416052693 /nfs/dbraw/zinc/05/26/93/416052693.db2.gz IYFRGKFCNUAPKN-ZANVPECISA-N 0 0 315.329 0.587 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000173289826 416055241 /nfs/dbraw/zinc/05/52/41/416055241.db2.gz JNVLJAQVJNNTFO-NSHDSACASA-N 0 0 306.370 0.066 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000173242020 416056210 /nfs/dbraw/zinc/05/62/10/416056210.db2.gz FOIOUHCIUGXLPE-UHFFFAOYSA-N 0 0 321.352 0.475 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000173339093 416056827 /nfs/dbraw/zinc/05/68/27/416056827.db2.gz DGOHRQKGSRCMEZ-AWEZNQCLSA-N 0 0 315.377 0.636 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)[nH]1 ZINC000173405970 416057569 /nfs/dbraw/zinc/05/75/69/416057569.db2.gz KYFOVSRGRIZMRU-OLZOCXBDSA-N 0 0 302.334 0.747 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173468608 416058236 /nfs/dbraw/zinc/05/82/36/416058236.db2.gz BKFSBLDFAJBOET-DGCLKSJQSA-N 0 0 322.413 0.198 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000174536166 416080001 /nfs/dbraw/zinc/08/00/01/416080001.db2.gz WVRSVHHYYJUNBU-CQSZACIVSA-N 0 0 306.362 0.810 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)CN(C)C(N)=O)C(=O)N1c1ccccc1 ZINC000173424697 416059128 /nfs/dbraw/zinc/05/91/28/416059128.db2.gz QHWHEDGPJZVZGU-CMPLNLGQSA-N 0 0 304.350 0.307 10 0 DCAERN Cc1ccc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)n1 ZINC000173770694 416065331 /nfs/dbraw/zinc/06/53/31/416065331.db2.gz GVTVIXPJKKTMKD-UHFFFAOYSA-N 0 0 302.338 0.630 10 0 DCAERN Cc1cnn(CCC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173855898 416066898 /nfs/dbraw/zinc/06/68/98/416066898.db2.gz OTQPEBNDNZZNPB-LSDHHAIUSA-N 0 0 306.410 0.761 10 0 DCAERN CNC(=O)c1ccc(N[C@H]2CCc3nnc(C(C)C)n3C2)nn1 ZINC000173915042 416068027 /nfs/dbraw/zinc/06/80/27/416068027.db2.gz QKUCAHVRIDCAIN-JTQLQIEISA-N 0 0 315.381 0.978 10 0 DCAERN CCc1cnc(CCNC(=O)NCCN2CCOCC2)s1 ZINC000173990899 416070289 /nfs/dbraw/zinc/07/02/89/416070289.db2.gz NMFYUAQLZUEXON-UHFFFAOYSA-N 0 0 312.439 0.879 10 0 DCAERN Cc1noc(CCC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000173965032 416070658 /nfs/dbraw/zinc/07/06/58/416070658.db2.gz ZBDKDRKBVVPNEJ-AAEUAGOBSA-N 0 0 308.382 0.490 10 0 DCAERN C[C@H]1CN(c2ccc(CNC(=O)CC(=O)N(C)C)cn2)CCO1 ZINC000173971671 416070712 /nfs/dbraw/zinc/07/07/12/416070712.db2.gz KTGXZNZRFRALRT-LBPRGKRZSA-N 0 0 320.393 0.401 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C(C)C)cc1 ZINC000174422694 416078056 /nfs/dbraw/zinc/07/80/56/416078056.db2.gz DEHNYRKAPYDWQJ-INIZCTEOSA-N 0 0 308.378 0.948 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000174391454 416078148 /nfs/dbraw/zinc/07/81/48/416078148.db2.gz LOWFINHQWCXWCT-UHFFFAOYSA-N 0 0 308.382 0.014 10 0 DCAERN O=C(COC[C@H]1CCOC1)NC[C@@]1(O)CCc2ccccc21 ZINC000159014468 416004786 /nfs/dbraw/zinc/00/47/86/416004786.db2.gz FHROJYUXYYMZMC-GUYCJALGSA-N 0 0 305.374 0.990 10 0 DCAERN Cn1cc([C@]2(C)CN([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067152 416006615 /nfs/dbraw/zinc/00/66/15/416006615.db2.gz WRKDVZOEUFYLDQ-ZBFHGGJFSA-N 0 0 304.394 0.731 10 0 DCAERN c1ccc(-n2nnnc2CN2CCN(c3cccnn3)CC2)cc1 ZINC000170650036 416027676 /nfs/dbraw/zinc/02/76/76/416027676.db2.gz GLKBHRQAVZJDTH-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN O=C(CN1CCN(c2cccnn2)CC1)Nc1nncs1 ZINC000170649118 416028007 /nfs/dbraw/zinc/02/80/07/416028007.db2.gz BUHNLZZXVZMLDX-UHFFFAOYSA-N 0 0 305.367 0.089 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000298814357 416031894 /nfs/dbraw/zinc/03/18/94/416031894.db2.gz MCMQHYWPHPAGTQ-JTQLQIEISA-N 0 0 308.363 0.848 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cnn3ccc(C)nc13)CC2 ZINC000170811721 416034542 /nfs/dbraw/zinc/03/45/42/416034542.db2.gz BEUXZPAEPZLPKJ-LLVKDONJSA-N 0 0 311.349 0.682 10 0 DCAERN CCc1cc(=O)n2nc(N3CCC[C@@H](CC(N)=O)C3)sc2n1 ZINC000301471417 416083393 /nfs/dbraw/zinc/08/33/93/416083393.db2.gz JYVXVUCBXGNHCR-VIFPVBQESA-N 0 0 321.406 0.805 10 0 DCAERN c1nc(NC[C@H]2CN3CCN2CC3)cc(N2CCCCC2)n1 ZINC000301756622 416089390 /nfs/dbraw/zinc/08/93/90/416089390.db2.gz DUJVVFUOWSANTC-AWEZNQCLSA-N 0 0 302.426 0.879 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnns3)C2=O)n(C)n1 ZINC000175004247 416093836 /nfs/dbraw/zinc/09/38/36/416093836.db2.gz VQWVSWYAMDOKJO-SECBINFHSA-N 0 0 320.378 0.505 10 0 DCAERN COC[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)CCO1 ZINC000175077764 416095116 /nfs/dbraw/zinc/09/51/16/416095116.db2.gz ZKGYJEYCPKYOQB-ZDUSSCGKSA-N 0 0 308.382 0.704 10 0 DCAERN NS(=O)(=O)c1cnc(N(CCO)Cc2ccsc2)s1 ZINC000301855680 416095901 /nfs/dbraw/zinc/09/59/01/416095901.db2.gz YUXBVPPXJLSVQS-UHFFFAOYSA-N 0 0 319.433 0.851 10 0 DCAERN O=C(CCOC1CCOCC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000175444460 416106468 /nfs/dbraw/zinc/10/64/68/416106468.db2.gz KPHFIMFACOGQNQ-CQSZACIVSA-N 0 0 312.410 0.505 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)s1 ZINC000313670688 416109112 /nfs/dbraw/zinc/10/91/12/416109112.db2.gz FQPIPRFDAYYNBA-UHFFFAOYSA-N 0 0 305.421 0.818 10 0 DCAERN Cc1nccc(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000175701958 416113016 /nfs/dbraw/zinc/11/30/16/416113016.db2.gz TTWZOMANBNKPDZ-IUODEOHRSA-N 0 0 319.409 0.647 10 0 DCAERN CC[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)OC ZINC000175759781 416113098 /nfs/dbraw/zinc/11/30/98/416113098.db2.gz ATGDMMXNJOWKRA-CYBMUJFWSA-N 0 0 306.362 0.803 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000175925808 416116062 /nfs/dbraw/zinc/11/60/62/416116062.db2.gz RCURCKIXTDTSLI-SNVBAGLBSA-N 0 0 302.400 0.093 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000176098076 416120968 /nfs/dbraw/zinc/12/09/68/416120968.db2.gz QSBXUBNXQXPION-DTWKUNHWSA-N 0 0 321.299 0.038 10 0 DCAERN COC(=O)[C@@H](Nc1cnn(CC(=O)N2CCOCC2)c1)C1CC1 ZINC000357946107 416156443 /nfs/dbraw/zinc/15/64/43/416156443.db2.gz FULDOSLZTNCPBI-AWEZNQCLSA-N 0 0 322.365 0.105 10 0 DCAERN O=S1(=O)CC[C@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 ZINC000328627067 416123546 /nfs/dbraw/zinc/12/35/46/416123546.db2.gz FTVDMRVTZIQTEH-QWRGUYRKSA-N 0 0 312.395 0.667 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)NC[C@@H]1CCn2ccnc2C1 ZINC000328618978 416123707 /nfs/dbraw/zinc/12/37/07/416123707.db2.gz FJSGEWHWFPUYBN-CHWSQXEVSA-N 0 0 313.423 0.934 10 0 DCAERN Nc1ccc(N[C@H]2CCCN(C(=O)Cn3ccnn3)CC2)cn1 ZINC000328636544 416125501 /nfs/dbraw/zinc/12/55/01/416125501.db2.gz OBNRVLDINLZQHB-LBPRGKRZSA-N 0 0 315.381 0.749 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc(Cl)c[nH]1)CN1CCOCC1 ZINC000176484499 416127842 /nfs/dbraw/zinc/12/78/42/416127842.db2.gz RTSGJFBENXCVCZ-CYBMUJFWSA-N 0 0 301.774 0.481 10 0 DCAERN CSc1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)o1 ZINC000176481422 416127955 /nfs/dbraw/zinc/12/79/55/416127955.db2.gz TWDSMCBDAYJBLY-CQSZACIVSA-N 0 0 314.407 0.815 10 0 DCAERN COCC1=CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000357794434 416134310 /nfs/dbraw/zinc/13/43/10/416134310.db2.gz FXCABHDLNKRTOR-UHFFFAOYSA-N 0 0 321.381 0.777 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC000328875893 416135464 /nfs/dbraw/zinc/13/54/64/416135464.db2.gz JYDWMVZKDHHWGB-OLZOCXBDSA-N 0 0 307.398 0.578 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2cccs2)C1 ZINC000345703909 416136252 /nfs/dbraw/zinc/13/62/52/416136252.db2.gz CCOVHMNFVJCALE-JTQLQIEISA-N 0 0 317.436 0.749 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)cn1 ZINC000176890810 416136629 /nfs/dbraw/zinc/13/66/29/416136629.db2.gz DBZKTVFWTCUGLW-LLVKDONJSA-N 0 0 316.365 0.246 10 0 DCAERN COCCCOC1CN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000176925910 416138192 /nfs/dbraw/zinc/13/81/92/416138192.db2.gz YQUQTUULQVZPAR-UHFFFAOYSA-N 0 0 320.389 0.609 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000176992600 416138408 /nfs/dbraw/zinc/13/84/08/416138408.db2.gz GWMBQGIHHXDEJA-OLZOCXBDSA-N 0 0 305.444 0.224 10 0 DCAERN c1nc([C@@H]2COCCN2Cc2nnc3n2CCCCC3)n[nH]1 ZINC000328910580 416138969 /nfs/dbraw/zinc/13/89/69/416138969.db2.gz NNLUPGNKNSIJKX-NSHDSACASA-N 0 0 303.370 0.696 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NCCc1cc(F)ccc1F ZINC000177088874 416140128 /nfs/dbraw/zinc/14/01/28/416140128.db2.gz RHRLSQQGLSWBEV-UHFFFAOYSA-N 0 0 320.361 0.951 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000177192773 416142687 /nfs/dbraw/zinc/14/26/87/416142687.db2.gz QYZYFXDDZAGRDY-KBPBESRZSA-N 0 0 319.409 0.973 10 0 DCAERN CN(C[C@H]1CCOC1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000177272305 416143827 /nfs/dbraw/zinc/14/38/27/416143827.db2.gz LSADQBHBTAEORT-ZIAGYGMSSA-N 0 0 305.378 0.761 10 0 DCAERN C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)Cn1cccn1 ZINC000177319992 416144034 /nfs/dbraw/zinc/14/40/34/416144034.db2.gz VCFAIRBMHCAKHR-RYUDHWBXSA-N 0 0 303.370 0.945 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](COC)OC)C1 ZINC000358407823 416233004 /nfs/dbraw/zinc/23/30/04/416233004.db2.gz VUUXFCRSYUWWNB-VXGBXAGGSA-N 0 0 301.387 0.348 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178539742 416166272 /nfs/dbraw/zinc/16/62/72/416166272.db2.gz PAXIRXXCCJEZIA-BBRMVZONSA-N 0 0 324.340 0.271 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000178549425 416166332 /nfs/dbraw/zinc/16/63/32/416166332.db2.gz UURROSCFAUZJIP-NEPJUHHUSA-N 0 0 316.365 0.981 10 0 DCAERN O=C(/C=C/c1cnc2ccccc2n1)NC[C@@H]1CN2CCN1CC2 ZINC000178617994 416166537 /nfs/dbraw/zinc/16/65/37/416166537.db2.gz WFKCSBLWQQDLBI-LLYBFZRZSA-N 0 0 323.400 0.759 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000178644585 416168132 /nfs/dbraw/zinc/16/81/32/416168132.db2.gz UMUXWOLCWYNEPJ-AWEZNQCLSA-N 0 0 308.426 0.765 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178686831 416168957 /nfs/dbraw/zinc/16/89/57/416168957.db2.gz VLBBXRGEMXZPRY-ZFWWWQNUSA-N 0 0 311.403 0.832 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178702875 416169066 /nfs/dbraw/zinc/16/90/66/416169066.db2.gz DPEXDLHBWJPDSY-NEPJUHHUSA-N 0 0 312.391 0.089 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)[C@H](C)CO1 ZINC000178691711 416169673 /nfs/dbraw/zinc/16/96/73/416169673.db2.gz CADFJSWFOCUHGH-VXGBXAGGSA-N 0 0 314.407 0.623 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCNC(=O)c1ccsc1)C(C)C ZINC000178715555 416170993 /nfs/dbraw/zinc/17/09/93/416170993.db2.gz QOJOJBLMYQAXTE-GFCCVEGCSA-N 0 0 311.407 0.755 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(C)C ZINC000178721062 416171098 /nfs/dbraw/zinc/17/10/98/416171098.db2.gz KEPVMNRVEBOGCN-CQSZACIVSA-N 0 0 315.377 0.827 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CN1CCCCCCC1=O ZINC000182867471 416233281 /nfs/dbraw/zinc/23/32/81/416233281.db2.gz MHDDQABYSIEGJR-HNNXBMFYSA-N 0 0 300.399 0.683 10 0 DCAERN O=C(CCn1cnc2ccccc21)NC[C@H]1CN2CCN1CC2 ZINC000178975360 416179641 /nfs/dbraw/zinc/17/96/41/416179641.db2.gz JIZSZWAVFGRHAO-AWEZNQCLSA-N 0 0 313.405 0.542 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178961904 416179820 /nfs/dbraw/zinc/17/98/20/416179820.db2.gz IGBLXSJSEOPXLK-CYBMUJFWSA-N 0 0 302.378 0.050 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178957195 416180068 /nfs/dbraw/zinc/18/00/68/416180068.db2.gz FOALAMUHUJFIMW-CQSZACIVSA-N 0 0 302.378 0.050 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000179145289 416183007 /nfs/dbraw/zinc/18/30/07/416183007.db2.gz RVVJBKKXRHPLDA-GFCCVEGCSA-N 0 0 303.366 0.140 10 0 DCAERN CCc1nnc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)n1C ZINC000179251595 416184377 /nfs/dbraw/zinc/18/43/77/416184377.db2.gz ZKUKQGKRTVQQCO-HNNXBMFYSA-N 0 0 320.485 0.979 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(C3CC3)CC2)O1 ZINC000179714535 416191593 /nfs/dbraw/zinc/19/15/93/416191593.db2.gz GQMHKNOQJISJFE-KGLIPLIRSA-N 0 0 324.425 0.112 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1sccc1COC ZINC000180360263 416195331 /nfs/dbraw/zinc/19/53/31/416195331.db2.gz QTPSBYXUEAHNAG-UHFFFAOYSA-N 0 0 306.409 0.564 10 0 DCAERN Cc1n[nH]c2cc(NC(=O)CN3C(=O)CN(C)C3=O)ccc12 ZINC000180335806 416195489 /nfs/dbraw/zinc/19/54/89/416195489.db2.gz HMYDVLFPHLDWBT-UHFFFAOYSA-N 0 0 301.306 0.704 10 0 DCAERN Cn1ncnc1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000181274188 416204734 /nfs/dbraw/zinc/20/47/34/416204734.db2.gz YJBMLZTVJCVFPM-SNVBAGLBSA-N 0 0 302.342 0.396 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)Cc1ccc(Br)s1 ZINC000181285093 416206484 /nfs/dbraw/zinc/20/64/84/416206484.db2.gz SFWSSWWQFQRYQH-ZETCQYMHSA-N 0 0 322.180 0.703 10 0 DCAERN COc1cccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c1O ZINC000181455960 416207494 /nfs/dbraw/zinc/20/74/94/416207494.db2.gz KOFGLIBDAJHUBJ-ZDUSSCGKSA-N 0 0 316.361 0.921 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358188438 416207835 /nfs/dbraw/zinc/20/78/35/416207835.db2.gz RUKFUWKZDQLTLK-LLVKDONJSA-N 0 0 300.384 0.171 10 0 DCAERN NC(=O)c1ccc(OCCC(=O)NC[C@@H](CO)C2CC2)cc1 ZINC000358300096 416221140 /nfs/dbraw/zinc/22/11/40/416221140.db2.gz HFGBZYDLFMBXOE-ZDUSSCGKSA-N 0 0 306.362 0.689 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)NC[C@H](CO)C1CC1 ZINC000358330782 416223194 /nfs/dbraw/zinc/22/31/94/416223194.db2.gz FXCDIELPOMKCBG-CYBMUJFWSA-N 0 0 318.439 0.327 10 0 DCAERN O=C(Nc1nncn1-c1ccccc1)c1cccc2ncnn21 ZINC000358330994 416223592 /nfs/dbraw/zinc/22/35/92/416223592.db2.gz KEGAXBNGWGZJLT-UHFFFAOYSA-N 0 0 305.301 1.562 10 0 DCAERN CCc1cnccc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000182559959 416225840 /nfs/dbraw/zinc/22/58/40/416225840.db2.gz USYILUZGWLAROI-MEDUHNTESA-N 0 0 316.361 0.752 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H](CO)C(C)C)CC2)n1 ZINC000182616705 416228653 /nfs/dbraw/zinc/22/86/53/416228653.db2.gz PGAMXGNBHRQRDI-CYBMUJFWSA-N 0 0 322.409 0.835 10 0 DCAERN C[C@H](C(=O)NC[C@H](CO)C1CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000358364392 416229169 /nfs/dbraw/zinc/22/91/69/416229169.db2.gz YSYUKKQOMHNACA-ZYHUDNBSSA-N 0 0 323.393 0.374 10 0 DCAERN COc1n[nH]c(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)n1 ZINC000183001835 416235029 /nfs/dbraw/zinc/23/50/29/416235029.db2.gz QTCNLGKWGVTYII-UHFFFAOYSA-N 0 0 314.309 0.414 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCc3cncnc3C1)CS2 ZINC000329232325 416158767 /nfs/dbraw/zinc/15/87/67/416158767.db2.gz FWPHPMYMMACKAE-WFASDCNBSA-N 0 0 318.402 0.815 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000178214479 416159258 /nfs/dbraw/zinc/15/92/58/416159258.db2.gz UYCAFYUKLQDURF-AWEZNQCLSA-N 0 0 318.483 0.995 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CCOC[C@@H](C)C1)c1ccccc1 ZINC000357959425 416160091 /nfs/dbraw/zinc/16/00/91/416160091.db2.gz MKXFGXIMNRFZKW-ZFWWWQNUSA-N 0 0 320.389 0.985 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)C3CC(=O)C3)CC2)CC1 ZINC000183534376 416243214 /nfs/dbraw/zinc/24/32/14/416243214.db2.gz AGUHMPNYBZULFI-UHFFFAOYSA-N 0 0 321.421 0.368 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)c1cc(-c2cccnc2)on1 ZINC000358540306 416253081 /nfs/dbraw/zinc/25/30/81/416253081.db2.gz UNHNGGFNYGGFNP-OAHLLOKOSA-N 0 0 319.317 0.781 10 0 DCAERN CN(CC1(CO)CC1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000187212998 416260677 /nfs/dbraw/zinc/26/06/77/416260677.db2.gz IIKYQZQLCSFGEE-CYBMUJFWSA-N 0 0 321.425 0.803 10 0 DCAERN Cc1cc(N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000187202187 416260907 /nfs/dbraw/zinc/26/09/07/416260907.db2.gz MTDDVLCSTVKZGC-NSHDSACASA-N 0 0 300.428 0.521 10 0 DCAERN COC(=O)Cc1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000189057977 416263931 /nfs/dbraw/zinc/26/39/31/416263931.db2.gz IVZYZZSXQBOVGV-UHFFFAOYSA-N 0 0 302.334 0.814 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000331140212 416271740 /nfs/dbraw/zinc/27/17/40/416271740.db2.gz QXMREJLBTZTEMO-MWLCHTKSSA-N 0 0 315.439 0.669 10 0 DCAERN Cc1cc(NC(=O)N2CC(n3ccnn3)C2)ccc1C(N)=O ZINC000358444859 416238264 /nfs/dbraw/zinc/23/82/64/416238264.db2.gz ARXYPCPFLBKLQD-UHFFFAOYSA-N 0 0 300.322 0.774 10 0 DCAERN O=C(Cn1cccn1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192215624 416300728 /nfs/dbraw/zinc/30/07/28/416300728.db2.gz CXZZUYMANOOZJN-CQSZACIVSA-N 0 0 316.336 0.940 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)NC[C@@H](CO)C2CC2)cn1 ZINC000359046125 416301683 /nfs/dbraw/zinc/30/16/83/416301683.db2.gz SNGHNNQOXIKLQN-ZDUSSCGKSA-N 0 0 306.366 0.858 10 0 DCAERN O=C(c1cncc(Cl)n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000192349627 416303177 /nfs/dbraw/zinc/30/31/77/416303177.db2.gz PMLLKULCSAZSAX-SNVBAGLBSA-N 0 0 307.741 0.868 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@@H]3CCOC[C@@H]3C)CCO2)[nH]1 ZINC000192611907 416308211 /nfs/dbraw/zinc/30/82/11/416308211.db2.gz MGAHKQOOQWBEJR-TUAOUCFPSA-N 0 0 308.382 0.940 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C)COCc1ccccc1 ZINC000193381052 416315841 /nfs/dbraw/zinc/31/58/41/416315841.db2.gz VESQDKRCPBQEHM-DAXOMENPSA-N 0 0 320.389 0.690 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000359256114 416315888 /nfs/dbraw/zinc/31/58/88/416315888.db2.gz WQJYDSFZCIEXGJ-RISCZKNCSA-N 0 0 314.407 0.631 10 0 DCAERN NC(=O)COc1cccc(CNC(=O)NC[C@@H](CO)C2CC2)c1 ZINC000358821538 416279360 /nfs/dbraw/zinc/27/93/60/416279360.db2.gz ABJWKQYKLOJUHS-ZDUSSCGKSA-N 0 0 321.377 0.368 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(NC(C)=O)C2)C1 ZINC000190484615 416279703 /nfs/dbraw/zinc/27/97/03/416279703.db2.gz UJTSSXKWPPFTTI-DGCLKSJQSA-N 0 0 309.410 0.618 10 0 DCAERN CCN1CN(C(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1=O ZINC000190519284 416280006 /nfs/dbraw/zinc/28/00/06/416280006.db2.gz SQWNROISFBQIRF-HNNXBMFYSA-N 0 0 315.373 0.608 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(-n3cnnc3)cc2)c1 ZINC000190754247 416280717 /nfs/dbraw/zinc/28/07/17/416280717.db2.gz CSQZVIXFSWQKRW-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1CC1 ZINC000191840359 416290526 /nfs/dbraw/zinc/29/05/26/416290526.db2.gz GRAMNSXDIZBTGJ-CQSZACIVSA-N 0 0 317.389 0.328 10 0 DCAERN COCCC1(C)CN(C(=O)NCc2ccc(C(N)=O)nc2)C1 ZINC000358903631 416292041 /nfs/dbraw/zinc/29/20/41/416292041.db2.gz OYVKFSNFVZORMU-UHFFFAOYSA-N 0 0 306.366 0.749 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)N[C@@H]2CCN(C)C2=O)no1 ZINC000358940792 416294759 /nfs/dbraw/zinc/29/47/59/416294759.db2.gz IRLVXYDDXHVEOA-MRVPVSSYSA-N 0 0 324.337 0.226 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)[C@H](C)CO ZINC000248486948 416333757 /nfs/dbraw/zinc/33/37/57/416333757.db2.gz LLMMVGCRWOUFGV-BZPMIXESSA-N 0 0 320.393 0.893 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000261709634 416335604 /nfs/dbraw/zinc/33/56/04/416335604.db2.gz DLWOHMKGIWXRFA-NWDGAFQWSA-N 0 0 321.402 0.993 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)NC[C@H](CO)C2CC2)c(=O)c1 ZINC000359779788 416358434 /nfs/dbraw/zinc/35/84/34/416358434.db2.gz ZBSJMWHEVKUMEN-CZUORRHYSA-N 0 0 308.378 0.042 10 0 DCAERN Cc1nccc(C[S@@](=O)CCCN2C(=O)NC(C)(C)C2=O)n1 ZINC000359328140 416341764 /nfs/dbraw/zinc/34/17/64/416341764.db2.gz BBLHENJAQYYNCQ-QFIPXVFZSA-N 0 0 324.406 0.754 10 0 DCAERN COCC[C@@H](C)S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000359694354 416353683 /nfs/dbraw/zinc/35/36/83/416353683.db2.gz KZYQGPMSFKOXMF-LLVKDONJSA-N 0 0 306.428 0.780 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000359719172 416355025 /nfs/dbraw/zinc/35/50/25/416355025.db2.gz WVPWJLNIDPLOLS-GXFFZTMASA-N 0 0 319.361 0.798 10 0 DCAERN COc1ccnc(N2CCN(C(=O)C3(O)CCCC3)CC2)n1 ZINC000194646353 416323905 /nfs/dbraw/zinc/32/39/05/416323905.db2.gz NGILCMMQUAWWNG-UHFFFAOYSA-N 0 0 306.366 0.439 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000195444852 416326298 /nfs/dbraw/zinc/32/62/98/416326298.db2.gz YENBSCJDAZJZFF-JTQLQIEISA-N 0 0 303.428 0.924 10 0 DCAERN CCN(CC(=O)OC)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000360217800 416380326 /nfs/dbraw/zinc/38/03/26/416380326.db2.gz IVQIGNZTXXHANJ-UHFFFAOYSA-N 0 0 307.368 0.154 10 0 DCAERN CO[C@@]1(CNC(=O)NC[C@H](CO)c2ccccc2)CCOC1 ZINC000360465704 416391910 /nfs/dbraw/zinc/39/19/10/416391910.db2.gz FAVNOFTXSWVIOV-GDBMZVCRSA-N 0 0 308.378 0.867 10 0 DCAERN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CC(=O)N(C)C2)c1 ZINC000360488381 416392612 /nfs/dbraw/zinc/39/26/12/416392612.db2.gz CEKGGSFAZPATIX-NSHDSACASA-N 0 0 319.361 0.840 10 0 DCAERN COc1cccc2sc(NC(=O)CN3CC(=O)N(C)C3)nc21 ZINC000360488128 416392739 /nfs/dbraw/zinc/39/27/39/416392739.db2.gz BFRMIRWRXNVLHN-UHFFFAOYSA-N 0 0 320.374 0.975 10 0 DCAERN C[C@H](O)CN(C(=O)NCc1ccc2cc[nH]c2n1)[C@@H](C)CO ZINC000360491997 416393357 /nfs/dbraw/zinc/39/33/57/416393357.db2.gz PETHHXZHHYJDQX-QWRGUYRKSA-N 0 0 306.366 0.836 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccnn2C)cc1 ZINC000360602501 416398626 /nfs/dbraw/zinc/39/86/26/416398626.db2.gz YFBAAPPWYXVZFZ-UHFFFAOYSA-N 0 0 322.390 0.881 10 0 DCAERN CO[C@H](C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819901 416412025 /nfs/dbraw/zinc/41/20/25/416412025.db2.gz VJOIMRHGLOJSNQ-MNOVXSKESA-N 0 0 304.412 0.342 10 0 DCAERN COc1ccnc(N2CC[C@H](Nc3ccc4nccn4n3)C2)n1 ZINC000434184299 416463287 /nfs/dbraw/zinc/46/32/87/416463287.db2.gz SFDLXYXUAAKKLZ-NSHDSACASA-N 0 0 311.349 1.219 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)C2(C(=O)OC)CC2)c1 ZINC000361677341 416474849 /nfs/dbraw/zinc/47/48/49/416474849.db2.gz ILYVUTJTMJXKGK-UHFFFAOYSA-N 0 0 312.347 0.486 10 0 DCAERN C[C@H]1OCC[C@]1(O)CNC(=O)NCc1ccccc1OCCO ZINC000434400486 416475752 /nfs/dbraw/zinc/47/57/52/416475752.db2.gz VMJZNUKTALYAKC-WBMJQRKESA-N 0 0 324.377 0.397 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000583619671 416480157 /nfs/dbraw/zinc/48/01/57/416480157.db2.gz CMNUNVRRLMYJMC-STQMWFEESA-N 0 0 320.324 0.628 10 0 DCAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583623948 416480399 /nfs/dbraw/zinc/48/03/99/416480399.db2.gz PIAVZDPXUJEGBM-NWDGAFQWSA-N 0 0 305.382 0.318 10 0 DCAERN CC(C)c1ncc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000361713238 416483278 /nfs/dbraw/zinc/48/32/78/416483278.db2.gz WVEUZBFSSMUMPU-QMMMGPOBSA-N 0 0 320.271 0.578 10 0 DCAERN CCCNC(=O)CCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361748103 416488564 /nfs/dbraw/zinc/48/85/64/416488564.db2.gz GMEGELXLMAJZAP-UHFFFAOYSA-N 0 0 323.397 0.515 10 0 DCAERN CC(=O)NCCNC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434658112 416488781 /nfs/dbraw/zinc/48/87/81/416488781.db2.gz ZZOUHHPQEYOMTO-MRVPVSSYSA-N 0 0 324.406 0.459 10 0 DCAERN CN(Cc1cnccn1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000361199603 416425738 /nfs/dbraw/zinc/42/57/38/416425738.db2.gz IVTMWTGUDLVBOJ-UHFFFAOYSA-N 0 0 314.345 0.500 10 0 DCAERN CCNC(=O)CNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361355390 416431512 /nfs/dbraw/zinc/43/15/12/416431512.db2.gz HBTOIOYVXCZWRG-NSHDSACASA-N 0 0 307.350 0.652 10 0 DCAERN COC(=O)CNC(=O)CCN1CCC[C@H]1C(=O)OC(C)C ZINC000532706722 416450385 /nfs/dbraw/zinc/45/03/85/416450385.db2.gz VYLMAALBXSORKM-NSHDSACASA-N 0 0 300.355 0.082 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000361921286 416523776 /nfs/dbraw/zinc/52/37/76/416523776.db2.gz AYLCKOTYBFJKCS-CMPLNLGQSA-N 0 0 308.382 0.711 10 0 DCAERN CCN1C(=O)[C@@H]2CN(Cc3cnn4ccccc34)CCN2C1=O ZINC000362012344 416546772 /nfs/dbraw/zinc/54/67/72/416546772.db2.gz NTVSHZRGVURJKA-AWEZNQCLSA-N 0 0 313.361 0.803 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N(CCO)C2CCOCC2)[nH]n1 ZINC000436381533 416556351 /nfs/dbraw/zinc/55/63/51/416556351.db2.gz BDVJUBDDSNYOBR-NSHDSACASA-N 0 0 310.398 0.832 10 0 DCAERN NC(=O)CN1CCN(C(=O)N[C@H]2CCC23CCCC3)CC1=O ZINC000458722689 416493740 /nfs/dbraw/zinc/49/37/40/416493740.db2.gz NZGXTFAYFRSTQT-NSHDSACASA-N 0 0 308.382 0.048 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000458736261 416496811 /nfs/dbraw/zinc/49/68/11/416496811.db2.gz VHYGWUPVWUYDBO-MELADBBJSA-N 0 0 319.340 0.633 10 0 DCAERN CNC(=O)CCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434799720 416497014 /nfs/dbraw/zinc/49/70/14/416497014.db2.gz VQLNRGPILHEBSF-UHFFFAOYSA-N 0 0 322.365 0.697 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H]1O ZINC000434836252 416497953 /nfs/dbraw/zinc/49/79/53/416497953.db2.gz LIMBHLZTWKQIPH-WDEREUQCSA-N 0 0 321.377 1.284 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cn1 ZINC000361852922 416509694 /nfs/dbraw/zinc/50/96/94/416509694.db2.gz ZMRTXKHKJNHBQU-DTWKUNHWSA-N 0 0 307.354 0.309 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)N1CCN(C(=O)CO)CC1 ZINC000435184933 416510761 /nfs/dbraw/zinc/51/07/61/416510761.db2.gz UKEMCHNWUPPENA-UHFFFAOYSA-N 0 0 309.370 0.212 10 0 DCAERN COC(=O)CN(CC(=O)OC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435133085 416511542 /nfs/dbraw/zinc/51/15/42/416511542.db2.gz ORXPARVISUUTCM-UHFFFAOYSA-N 0 0 307.306 0.818 10 0 DCAERN COc1ccc(O[C@H](C)C(=O)NCCn2cnccc2=O)cc1 ZINC000585238299 416519834 /nfs/dbraw/zinc/51/98/34/416519834.db2.gz YQPMXBPLXSGDJD-GFCCVEGCSA-N 0 0 317.345 0.836 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@H](O)C2)cc1 ZINC000439250059 416609996 /nfs/dbraw/zinc/60/99/96/416609996.db2.gz TUJHSRRMLVOABF-NEPJUHHUSA-N 0 0 312.391 0.501 10 0 DCAERN COc1ccc(F)c(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000538714456 416573322 /nfs/dbraw/zinc/57/33/22/416573322.db2.gz SALFHNAIVWLDJG-NSHDSACASA-N 0 0 322.296 0.602 10 0 DCAERN O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cn2cccnc2n1 ZINC000538934380 416575225 /nfs/dbraw/zinc/57/52/25/416575225.db2.gz QWFCVJKSCIHQHX-NHYWBVRUSA-N 0 0 302.334 0.797 10 0 DCAERN c1cc(NCCOC[C@@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000542765181 416628953 /nfs/dbraw/zinc/62/89/53/416628953.db2.gz CPYTWHORPUKSPV-ZDUSSCGKSA-N 0 0 308.382 0.921 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)n1 ZINC000543365008 416639467 /nfs/dbraw/zinc/63/94/67/416639467.db2.gz AMZFBMPSIMNTPF-JTQLQIEISA-N 0 0 306.370 0.872 10 0 DCAERN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CCCO)C2=O ZINC000367102227 416641241 /nfs/dbraw/zinc/64/12/41/416641241.db2.gz VIUHQHPRKXJXPK-NHYWBVRUSA-N 0 0 311.382 0.328 10 0 DCAERN Cn1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)n1 ZINC000367749192 416652782 /nfs/dbraw/zinc/65/27/82/416652782.db2.gz LQQAHYLHNXXGLR-UHFFFAOYSA-N 0 0 304.329 1.308 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000544257099 416654426 /nfs/dbraw/zinc/65/44/26/416654426.db2.gz IUHPSLWGBRRJOK-QWHCGFSZSA-N 0 0 302.440 0.944 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000544673884 416658393 /nfs/dbraw/zinc/65/83/93/416658393.db2.gz AJSSNDFVGCFMHV-MNOVXSKESA-N 0 0 321.395 0.541 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441307876 416668407 /nfs/dbraw/zinc/66/84/07/416668407.db2.gz WHJJUBGCRWHVPQ-UHFFFAOYSA-N 0 0 316.321 0.474 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@H](NC(N)=O)C2)CCO[C@H]1C1CC1 ZINC000545243351 416668561 /nfs/dbraw/zinc/66/85/61/416668561.db2.gz RHYHSYBIFUYBJH-SLEUVZQESA-N 0 0 310.398 0.644 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000545318308 416673036 /nfs/dbraw/zinc/67/30/36/416673036.db2.gz ZCLUNDXKONCJDC-VXGBXAGGSA-N 0 0 302.396 0.749 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC12CCC2 ZINC000441514593 416674194 /nfs/dbraw/zinc/67/41/94/416674194.db2.gz KAJPWPGXAKTLPB-UHFFFAOYSA-N 0 0 319.365 0.645 10 0 DCAERN COC[C@@H](C)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000516880065 416749671 /nfs/dbraw/zinc/74/96/71/416749671.db2.gz KSIDBOFRRIHQKK-FRRDWIJNSA-N 0 0 300.399 0.888 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCCNC2=O)ccc1C ZINC000514948000 416685641 /nfs/dbraw/zinc/68/56/41/416685641.db2.gz QOZBMIHWHHBFDC-ZDUSSCGKSA-N 0 0 317.345 0.531 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCOCC3(CC3)C2)c(C2CC2)n1 ZINC000514978982 416687150 /nfs/dbraw/zinc/68/71/50/416687150.db2.gz OQMDWIFPYQFHMG-UHFFFAOYSA-N 0 0 318.377 0.875 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1 ZINC000442289819 416692062 /nfs/dbraw/zinc/69/20/62/416692062.db2.gz GVZCGQMNLCKRQN-ZDUSSCGKSA-N 0 0 319.361 0.033 10 0 DCAERN Cc1nc([C@@](C)(NC(=O)[C@H](C)NS(C)(=O)=O)C2CC2)no1 ZINC000515533996 416702447 /nfs/dbraw/zinc/70/24/47/416702447.db2.gz NLSHUOYIZUNAAS-MADCSZMMSA-N 0 0 316.383 0.057 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000553690532 416705904 /nfs/dbraw/zinc/70/59/04/416705904.db2.gz NMVIXMDNHJZUMD-INIZCTEOSA-N 0 0 316.361 0.771 10 0 DCAERN C(CN1CCCOCC1)Nc1nnc(C2CCOCC2)s1 ZINC000555194585 416710794 /nfs/dbraw/zinc/71/07/94/416710794.db2.gz XAILZOIYCXDCIU-UHFFFAOYSA-N 0 0 312.439 1.566 10 0 DCAERN Cc1cc(CCNc2cc(N3CCN(C)C(=O)C3)ncn2)on1 ZINC000516267623 416720324 /nfs/dbraw/zinc/72/03/24/416720324.db2.gz JEVOWLITPQMGRI-UHFFFAOYSA-N 0 0 316.365 0.706 10 0 DCAERN CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557383851 416732675 /nfs/dbraw/zinc/73/26/75/416732675.db2.gz XIRJRPLKBCHZJJ-NSHDSACASA-N 0 0 322.390 0.503 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N(CC)[C@@H]2CCNC2=O)s1 ZINC000443240488 416739981 /nfs/dbraw/zinc/73/99/81/416739981.db2.gz FMERJUAWQZPENE-SECBINFHSA-N 0 0 324.406 0.689 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCCOCC2CCC2)c(=O)[nH]1 ZINC000558653812 416784288 /nfs/dbraw/zinc/78/42/88/416784288.db2.gz DSHASKSEZDLXIE-UHFFFAOYSA-N 0 0 307.350 0.967 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623275239 416791449 /nfs/dbraw/zinc/79/14/49/416791449.db2.gz CZZUTKHRRZWFFX-RDJZCZTQSA-N 0 0 324.384 0.897 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCn3nnc(CO)c3C2)ccc1C ZINC000518620178 416864398 /nfs/dbraw/zinc/86/43/98/416864398.db2.gz DKSWXNMGWDQMOJ-UHFFFAOYSA-N 0 0 314.345 0.937 10 0 DCAERN O=S(=O)(N1C[C@H](F)C[C@H]1CO)N1CCc2ccccc2C1 ZINC000444277388 416826049 /nfs/dbraw/zinc/82/60/49/416826049.db2.gz LRRYIBLDUXOOAX-KGLIPLIRSA-N 0 0 314.382 0.694 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](F)C[C@@H]1CO ZINC000444278631 416827563 /nfs/dbraw/zinc/82/75/63/416827563.db2.gz UIRSHBOZDJZYBR-KKOKHZNYSA-N 0 0 323.386 0.453 10 0 DCAERN CCn1c(-c2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000518222549 416847282 /nfs/dbraw/zinc/84/72/82/416847282.db2.gz XKNZEWYVGKMOQM-ZDUSSCGKSA-N 0 0 314.393 0.881 10 0 DCAERN CCOC1CC(O)(CNC(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000444611176 416854652 /nfs/dbraw/zinc/85/46/52/416854652.db2.gz RXHIRWYGJRIMPP-MKQDKFQKSA-N 0 0 320.389 0.851 10 0 DCAERN NS(=O)(=O)c1cccc(N2C(=O)CN(C3CCC3)C2=O)c1 ZINC000445877609 416902162 /nfs/dbraw/zinc/90/21/62/416902162.db2.gz OXVQBHGFFZRJTE-UHFFFAOYSA-N 0 0 309.347 0.655 10 0 DCAERN CC(=O)c1c(C)cccc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000446310199 416921063 /nfs/dbraw/zinc/92/10/63/416921063.db2.gz FZIMXCZPZNWMMZ-UHFFFAOYSA-N 0 0 317.301 0.557 10 0 DCAERN Cn1ccc(NC(=O)C(=O)Nc2cccc3c2OCCC3)n1 ZINC000372634383 416943491 /nfs/dbraw/zinc/94/34/91/416943491.db2.gz XFJPUQPPIFAHSS-UHFFFAOYSA-N 0 0 300.318 1.322 10 0 DCAERN Cn1cc([C@H](NC(=O)Cn2cccnc2=O)C(F)(F)F)cn1 ZINC000447260147 416980872 /nfs/dbraw/zinc/98/08/72/416980872.db2.gz XQOUMVBOXSLJHX-JTQLQIEISA-N 0 0 315.255 0.397 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000447423952 417000371 /nfs/dbraw/zinc/00/03/71/417000371.db2.gz TVMIFVLQLPHZJN-UHFFFAOYSA-N 0 0 305.382 1.517 10 0 DCAERN O=C(c1cscn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000566577376 417050665 /nfs/dbraw/zinc/05/06/65/417050665.db2.gz HEQYGUJOZZVTHY-JTQLQIEISA-N 0 0 314.374 1.512 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nc2cccnc2[nH]1 ZINC000448250040 417066421 /nfs/dbraw/zinc/06/64/21/417066421.db2.gz ZJRSIMGHPZLQQI-OAHLLOKOSA-N 0 0 313.317 0.509 10 0 DCAERN CO[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC1(C)C ZINC000632410460 417072195 /nfs/dbraw/zinc/07/21/95/417072195.db2.gz FJCGLCACEQLPMR-CHWSQXEVSA-N 0 0 320.455 0.394 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448479242 417077941 /nfs/dbraw/zinc/07/79/41/417077941.db2.gz RONCUHSXCPQVMH-UHFFFAOYSA-N 0 0 304.272 1.252 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000448500686 417081492 /nfs/dbraw/zinc/08/14/92/417081492.db2.gz GALXXFURPJHQQK-MNOVXSKESA-N 0 0 306.366 0.773 10 0 DCAERN Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)ccn1 ZINC000616602926 417082599 /nfs/dbraw/zinc/08/25/99/417082599.db2.gz NWWSYDJMOWTGGC-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Nc1n[nH]cc1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1 ZINC000616602737 417083462 /nfs/dbraw/zinc/08/34/62/417083462.db2.gz MWGLGZSRXBGNLF-LBPRGKRZSA-N 0 0 307.379 0.327 10 0 DCAERN NS(=O)(=O)N1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616624948 417083542 /nfs/dbraw/zinc/08/35/42/417083542.db2.gz LLUSJQYQXRZABN-LBPRGKRZSA-N 0 0 318.420 0.866 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@@H](c2cn[nH]n2)CC1 ZINC000616592531 417084853 /nfs/dbraw/zinc/08/48/53/417084853.db2.gz FLKIZPNQWOQUIE-CYBMUJFWSA-N 0 0 308.363 0.957 10 0 DCAERN CS(=O)(=O)[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616592281 417085371 /nfs/dbraw/zinc/08/53/71/417085371.db2.gz CRMVMPJVAJMTJK-GFCCVEGCSA-N 0 0 319.404 0.121 10 0 DCAERN CC(=O)Nc1ccc([C@@H]2CN(S(N)(=O)=O)CCCO2)cc1 ZINC000616651149 417086257 /nfs/dbraw/zinc/08/62/57/417086257.db2.gz QRPUGWVRFYBXKS-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCCO[C@H](S(C)(=O)=O)C1 ZINC000616678066 417092836 /nfs/dbraw/zinc/09/28/36/417092836.db2.gz FLNADHNJVZKTEF-LLVKDONJSA-N 0 0 322.427 0.604 10 0 DCAERN Nc1ccc([C@H]2CNc3ccccc3N2S(N)(=O)=O)cn1 ZINC000616682082 417093749 /nfs/dbraw/zinc/09/37/49/417093749.db2.gz FLNJUPHBEPTKHD-GFCCVEGCSA-N 0 0 305.363 0.841 10 0 DCAERN Nc1ccc([C@H]2CN(S(N)(=O)=O)c3ccccc3N2)cn1 ZINC000616690871 417094534 /nfs/dbraw/zinc/09/45/34/417094534.db2.gz JEWFNKBWYQRRTL-LLVKDONJSA-N 0 0 305.363 0.841 10 0 DCAERN CCOC(=O)C1(O)CCN([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000616758915 417105951 /nfs/dbraw/zinc/10/59/51/417105951.db2.gz NFULWERABXQGNO-JTQLQIEISA-N 0 0 309.370 0.459 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000568291367 417120146 /nfs/dbraw/zinc/12/01/46/417120146.db2.gz HPLOFHJZPTWWNP-GXFFZTMASA-N 0 0 320.345 0.604 10 0 DCAERN O=C(NCCc1nnc[nH]1)c1nscc1Br ZINC000404773913 417120703 /nfs/dbraw/zinc/12/07/03/417120703.db2.gz DBRKQWUOYBDABM-UHFFFAOYSA-N 0 0 302.157 0.996 10 0 DCAERN COCC1(O)CN(C(=O)c2nscc2Br)C1 ZINC000404932469 417121129 /nfs/dbraw/zinc/12/11/29/417121129.db2.gz JUQZZQPAIPNTMF-UHFFFAOYSA-N 0 0 307.169 0.739 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N[C@H]2CCC(=O)NC2(C)C)CCC1 ZINC000407985584 417130917 /nfs/dbraw/zinc/13/09/17/417130917.db2.gz OWCQSDIJNONVTA-CHNSCGDPSA-N 0 0 315.439 0.644 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2n[nH]c3cc(F)ccc32)C1 ZINC000408056899 417138337 /nfs/dbraw/zinc/13/83/37/417138337.db2.gz NARKHQQJQDTEPY-HNNXBMFYSA-N 0 0 320.324 1.014 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000408114387 417140567 /nfs/dbraw/zinc/14/05/67/417140567.db2.gz XSAUUCAGDVKICA-JTQLQIEISA-N 0 0 301.346 0.689 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1O ZINC000408093565 417141274 /nfs/dbraw/zinc/14/12/74/417141274.db2.gz CIYAYNXQPZNLBR-RYUDHWBXSA-N 0 0 323.393 0.470 10 0 DCAERN CN(CC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1)S(C)(=O)=O ZINC000408132797 417144217 /nfs/dbraw/zinc/14/42/17/417144217.db2.gz LRKBAOXTOFZGKI-GHMZBOCLSA-N 0 0 306.428 0.133 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408178164 417145268 /nfs/dbraw/zinc/14/52/68/417145268.db2.gz OZAZCCNBUDDVKL-XQQFMLRXSA-N 0 0 320.411 0.020 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)C[C@H]1C ZINC000408190411 417146555 /nfs/dbraw/zinc/14/65/55/417146555.db2.gz YECJWAWUEBNMPG-VXGBXAGGSA-N 0 0 324.429 0.952 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000408189378 417147633 /nfs/dbraw/zinc/14/76/33/417147633.db2.gz NLCXNJUXZQFQIS-NSHDSACASA-N 0 0 321.303 1.564 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCN(c3nc(N)ns3)CC2)[nH]1 ZINC000408286358 417154068 /nfs/dbraw/zinc/15/40/68/417154068.db2.gz LYANJFVZIYRUJX-UHFFFAOYSA-N 0 0 306.395 1.028 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCCNC3=O)ccc2O1 ZINC000295871902 225331581 /nfs/dbraw/zinc/33/15/81/225331581.db2.gz YXUBIRYPTFZNDZ-CABZTGNLSA-N 0 0 310.375 0.567 10 0 DCAERN CC(C)COC1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000408394533 417159391 /nfs/dbraw/zinc/15/93/91/417159391.db2.gz KXCOUPYFADKVDC-UHFFFAOYSA-N 0 0 318.439 0.974 10 0 DCAERN CN1C(=O)CO[C@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)C[C@@H]21 ZINC000643258777 417170839 /nfs/dbraw/zinc/17/08/39/417170839.db2.gz OTMNSRKFQOVCLY-KBPBESRZSA-N 0 0 317.320 0.989 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cccc3ncnn32)[C@H](C)C1 ZINC000526011555 417173244 /nfs/dbraw/zinc/17/32/44/417173244.db2.gz GBQOVUDITSGHGU-VXGBXAGGSA-N 0 0 303.366 0.256 10 0 DCAERN Cc1nc(C)c(CC(=O)NC[C@H](C)N2CCCCC2=O)c(=O)[nH]1 ZINC000526016927 417174049 /nfs/dbraw/zinc/17/40/49/417174049.db2.gz VOTPWTKWAMXGAI-JTQLQIEISA-N 0 0 320.393 0.859 10 0 DCAERN CCOc1nc2cc(C(=O)N3CC[C@@H](NC(N)=O)C3)ccc2[nH]1 ZINC000450302583 417216606 /nfs/dbraw/zinc/21/66/06/417216606.db2.gz WQQLEXULWMEPFO-SNVBAGLBSA-N 0 0 317.349 0.844 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000627137336 417245719 /nfs/dbraw/zinc/24/57/19/417245719.db2.gz WKWSADVGXXUWHB-NEPJUHHUSA-N 0 0 309.410 0.807 10 0 DCAERN COC(=O)c1ccc(NC(=O)N(C)Cc2cnccn2)nn1 ZINC000619627758 417251387 /nfs/dbraw/zinc/25/13/87/417251387.db2.gz LYSBLPWZBLMENN-UHFFFAOYSA-N 0 0 302.294 0.717 10 0 DCAERN COC(=O)c1ccc(NC(=O)N(C)Cc2noc(C)n2)nn1 ZINC000619634527 417257246 /nfs/dbraw/zinc/25/72/46/417257246.db2.gz LQMCVUZAWUUDAS-UHFFFAOYSA-N 0 0 306.282 0.619 10 0 DCAERN CC1(C)C[C@H](C(=O)N2CC[C@H](S(N)(=O)=O)C2)C(C)(C)O1 ZINC000528536018 417356294 /nfs/dbraw/zinc/35/62/94/417356294.db2.gz VLSJLFURUYXKQO-VHSXEESVSA-N 0 0 304.412 0.470 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2ccc(OC)nn2)CC12COC2 ZINC000451130942 417300686 /nfs/dbraw/zinc/30/06/86/417300686.db2.gz GHFVEHHEGSJWHU-LBPRGKRZSA-N 0 0 307.350 0.497 10 0 DCAERN c1cnn(Cc2noc(-c3cn(C[C@@H]4CCOC4)nn3)n2)c1 ZINC000528098007 417304270 /nfs/dbraw/zinc/30/42/70/417304270.db2.gz HQCKLBRDQAORGL-JTQLQIEISA-N 0 0 301.310 0.609 10 0 DCAERN CCC[C@H](OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000451245197 417320182 /nfs/dbraw/zinc/32/01/82/417320182.db2.gz OLMYVSUGIYTSDT-DCAQKATOSA-N 0 0 302.371 0.374 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000633267531 417398941 /nfs/dbraw/zinc/39/89/41/417398941.db2.gz QFLHBWXPWPYKPU-KBXIAJHMSA-N 0 0 310.394 0.386 10 0 DCAERN CC[C@](C)(CNS(=O)(=O)c1cc(C(=O)NC)n(C)c1)OC ZINC000451803978 417400766 /nfs/dbraw/zinc/40/07/66/417400766.db2.gz SUJFKXMKXXYROH-CYBMUJFWSA-N 0 0 317.411 0.478 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NCC[C@H]1CC1(F)F ZINC000622204382 417418558 /nfs/dbraw/zinc/41/85/58/417418558.db2.gz UXRIULAMQXJJHN-ZETCQYMHSA-N 0 0 307.322 0.448 10 0 DCAERN O=C(Cn1cnc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000574944525 417496239 /nfs/dbraw/zinc/49/62/39/417496239.db2.gz SJPHILPFXRCPEQ-CYBMUJFWSA-N 0 0 300.362 0.579 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000633582050 417457123 /nfs/dbraw/zinc/45/71/23/417457123.db2.gz PIVTVSZQNYFFMO-ZIAGYGMSSA-N 0 0 306.366 0.331 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(C)n(C)n2)CC12COC2 ZINC000452254587 417462509 /nfs/dbraw/zinc/46/25/09/417462509.db2.gz FYBMKPYJLLEOAD-NSHDSACASA-N 0 0 307.350 0.380 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@]2(C)CCCOC2)CC12COC2 ZINC000452265774 417463754 /nfs/dbraw/zinc/46/37/54/417463754.db2.gz RAOCFRKQBIGQJC-IUODEOHRSA-N 0 0 311.378 0.841 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000633614178 417463889 /nfs/dbraw/zinc/46/38/89/417463889.db2.gz NOACVQWWSUEDHA-UKRRQHHQSA-N 0 0 315.373 0.701 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cccc(O)c2)CC12COC2 ZINC000452265523 417464962 /nfs/dbraw/zinc/46/49/62/417464962.db2.gz QQNHVCKVABEHTC-AWEZNQCLSA-N 0 0 319.357 0.973 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CC12COC2 ZINC000452269276 417465101 /nfs/dbraw/zinc/46/51/01/417465101.db2.gz XNOYAVSDMDYHBU-NWDGAFQWSA-N 0 0 324.377 0.083 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000633647134 417470904 /nfs/dbraw/zinc/47/09/04/417470904.db2.gz DESVCVKMPHMBGQ-CZUORRHYSA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCc2c(cccc2C(N)=O)C1 ZINC000633655002 417472121 /nfs/dbraw/zinc/47/21/21/417472121.db2.gz WCIPWAJBEGVUCI-OAHLLOKOSA-N 0 0 315.373 0.681 10 0 DCAERN CC(C)[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000453945250 417539714 /nfs/dbraw/zinc/53/97/14/417539714.db2.gz FMPNNZZCOKSSLN-QWRGUYRKSA-N 0 0 307.398 1.380 10 0 DCAERN O=C([O-])[C@H](C1CC1)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000635015992 417555725 /nfs/dbraw/zinc/55/57/25/417555725.db2.gz JVWPUUSFKSEPHW-INIZCTEOSA-N 0 0 323.437 0.916 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000633868816 417500758 /nfs/dbraw/zinc/50/07/58/417500758.db2.gz BSVUKZLLYQYSTD-WCABBAIRSA-N 0 0 311.411 0.860 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)c1C(C)C ZINC000529777851 417507110 /nfs/dbraw/zinc/50/71/10/417507110.db2.gz VTAITGKXCYQCNB-MNOVXSKESA-N 0 0 321.377 0.710 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000633887852 417514455 /nfs/dbraw/zinc/51/44/55/417514455.db2.gz UWHPKEZVEBSSCV-HZPDHXFCSA-N 0 0 308.378 0.893 10 0 DCAERN COC(=O)c1csc(S(=O)(=O)CC(=O)NCC(C)C)n1 ZINC000453033855 417519143 /nfs/dbraw/zinc/51/91/43/417519143.db2.gz KVVUVNBBACJHPZ-UHFFFAOYSA-N 0 0 320.392 0.476 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000453732930 417528694 /nfs/dbraw/zinc/52/86/94/417528694.db2.gz IOUDFMFMQJXNLA-ZYHUDNBSSA-N 0 0 303.362 0.738 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000530467659 417578973 /nfs/dbraw/zinc/57/89/73/417578973.db2.gz JOHPCVLFZFNWLC-SDDRHHMPSA-N 0 0 319.423 0.652 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1nn(C)c2ccccc12 ZINC000576098696 417580931 /nfs/dbraw/zinc/58/09/31/417580931.db2.gz IZZBAFGLOYZJPT-LLVKDONJSA-N 0 0 300.362 0.853 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000454823556 417581720 /nfs/dbraw/zinc/58/17/20/417581720.db2.gz JBFYSOWISSWXQA-SDDRHHMPSA-N 0 0 300.403 0.855 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000530302734 417564832 /nfs/dbraw/zinc/56/48/32/417564832.db2.gz YSEYSLHXXNZRGH-OAHLLOKOSA-N 0 0 323.437 0.616 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2ccn(C)c2)CC12COC2 ZINC000454579076 417567930 /nfs/dbraw/zinc/56/79/30/417567930.db2.gz BWHOXTMXBZGEKV-CYBMUJFWSA-N 0 0 321.377 0.746 10 0 DCAERN O=C(NCCc1nnc[nH]1)c1cc(F)ccc1N1CCOCC1 ZINC000531582962 417627581 /nfs/dbraw/zinc/62/75/81/417627581.db2.gz RKMFSCLHUSFSKJ-UHFFFAOYSA-N 0 0 319.340 0.753 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000577100980 417663068 /nfs/dbraw/zinc/66/30/68/417663068.db2.gz GOKGAXYSUDJWLR-KYOSRNDESA-N 0 0 321.421 0.365 10 0 DCAERN O=C(Nc1ccc(Cc2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532134566 417663491 /nfs/dbraw/zinc/66/34/91/417663491.db2.gz HZDUXRSDXDGIGG-JTQLQIEISA-N 0 0 321.362 0.164 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CCN(C4CC4)C(=O)C3)(CC1)C2 ZINC000577120648 417667150 /nfs/dbraw/zinc/66/71/50/417667150.db2.gz NJEWRZSRDPKGSR-UHFFFAOYSA-N 0 0 320.389 0.943 10 0 DCAERN CCn1nc(NC(=O)N(C)Cc2nnnn2C)cc1C1CC1 ZINC000532327841 417673076 /nfs/dbraw/zinc/67/30/76/417673076.db2.gz DGFUNSQWGRDEMX-UHFFFAOYSA-N 0 0 304.358 0.968 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628869768 417707220 /nfs/dbraw/zinc/70/72/20/417707220.db2.gz NEVGPQDGYYBSHJ-GJZGRUSLSA-N 0 0 316.357 0.434 10 0 DCAERN Cc1ccc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000457996637 417714503 /nfs/dbraw/zinc/71/45/03/417714503.db2.gz LMRIJBUUNYFUNR-OAHLLOKOSA-N 0 0 317.393 0.798 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1ccncc1Br ZINC000628916982 417721522 /nfs/dbraw/zinc/72/15/22/417721522.db2.gz GXPWJWBBMPOZEW-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458123874 417723935 /nfs/dbraw/zinc/72/39/35/417723935.db2.gz AEBACCFIRUUVHO-CMPLNLGQSA-N 0 0 308.313 0.362 10 0 DCAERN O=C(CCOc1ccc(Cl)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458152414 417725267 /nfs/dbraw/zinc/72/52/67/417725267.db2.gz XNZAPKFQCRFKEZ-GFCCVEGCSA-N 0 0 324.768 0.878 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)CCC(=O)OC)(C(=O)OC)C1(C)C ZINC000444551070 287427517 /nfs/dbraw/zinc/42/75/17/287427517.db2.gz QMWURVRDSQVDPX-ZUZCIYMTSA-N 0 0 315.366 0.803 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000664267569 418106720 /nfs/dbraw/zinc/10/67/20/418106720.db2.gz LGWVTUNQWYLUJA-RYUDHWBXSA-N 0 0 319.404 0.314 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccnc1 ZINC000659997240 418214549 /nfs/dbraw/zinc/21/45/49/418214549.db2.gz ANEZLUNFJRZKBF-WCQYABFASA-N 0 0 322.390 0.871 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C)sn1 ZINC000487137261 287533039 /nfs/dbraw/zinc/53/30/39/287533039.db2.gz PQFJLPZHOKGQDU-BDAKNGLRSA-N 0 0 313.379 0.638 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NC[C@@]1(O)CCOC1 ZINC000227171182 545944480 /nfs/dbraw/zinc/94/44/80/545944480.db2.gz SXLKWJOIFJVZMO-ZDUSSCGKSA-N 0 0 300.380 0.548 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000299622345 229270904 /nfs/dbraw/zinc/27/09/04/229270904.db2.gz JMVKUZCDYMMTJW-SWHYSGLUSA-N 0 0 301.350 0.624 10 0 DCAERN C[C@H](C(=O)NC1CCCCC1)N1CCC([C@@H](O)C(N)=O)CC1 ZINC000299751307 229394853 /nfs/dbraw/zinc/39/48/53/229394853.db2.gz QHLQYCDXQWQVIA-BXUZGUMPSA-N 0 0 311.426 0.382 10 0 DCAERN COc1ccnc(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000301989052 230022587 /nfs/dbraw/zinc/02/25/87/230022587.db2.gz FCKGITPDGVDTNV-UHFFFAOYSA-N 0 0 300.384 0.018 10 0 DCAERN C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccn1 ZINC000025405878 261103995 /nfs/dbraw/zinc/10/39/95/261103995.db2.gz NZKHLMOKDKFNNS-JTQLQIEISA-N 0 0 312.333 0.402 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCCCO2)cc1 ZINC000074640891 261106594 /nfs/dbraw/zinc/10/65/94/261106594.db2.gz VZVWINJIPBNDRG-LBPRGKRZSA-N 0 0 312.391 0.909 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000111613205 261108441 /nfs/dbraw/zinc/10/84/41/261108441.db2.gz XUWVMHGCMNFOKZ-LLVKDONJSA-N 0 0 319.365 0.252 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)N[C@@H]3CCOC3)CC2)cn1 ZINC000179152605 261111891 /nfs/dbraw/zinc/11/18/91/261111891.db2.gz SONFDYZOBCMMPN-CQSZACIVSA-N 0 0 307.398 0.426 10 0 DCAERN CN(C)c1ncc(NC(=O)CNC(=O)c2ccccn2)cn1 ZINC000179287960 261112722 /nfs/dbraw/zinc/11/27/22/261112722.db2.gz LWIVKRHPHRUGDT-UHFFFAOYSA-N 0 0 300.322 0.306 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)NCC2CN(S(C)(=O)=O)C2)o1 ZINC000186263059 261121035 /nfs/dbraw/zinc/12/10/35/261121035.db2.gz XYZRQPYUOSQLMQ-SNVBAGLBSA-N 0 0 315.395 0.840 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)NCC(=O)NCC(F)(F)F)O1 ZINC000186361519 261121061 /nfs/dbraw/zinc/12/10/61/261121061.db2.gz KRYYXEXNNWXLPV-MRVPVSSYSA-N 0 0 311.304 0.922 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccccc2-n2ccnn2)c1 ZINC000187905391 261125095 /nfs/dbraw/zinc/12/50/95/261125095.db2.gz RLKIUVCQHUDVBS-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000188194463 261125864 /nfs/dbraw/zinc/12/58/64/261125864.db2.gz JWWRIKQQFPBWRG-QWHCGFSZSA-N 0 0 313.442 0.764 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000188163112 261125897 /nfs/dbraw/zinc/12/58/97/261125897.db2.gz UYQOTYAJGORBEI-HUUCEWRRSA-N 0 0 319.405 0.818 10 0 DCAERN CCC[C@H](C)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000189020719 261130992 /nfs/dbraw/zinc/13/09/92/261130992.db2.gz UTLHHRWATSIFOC-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN COc1cc(OC)cc(N(C)C[C@H](O)CN2CCOCC2)c1 ZINC000191268622 261136431 /nfs/dbraw/zinc/13/64/31/261136431.db2.gz LUFWCMDYDNCMCB-AWEZNQCLSA-N 0 0 310.394 0.833 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC(NC(C)=O)C2)cc1F ZINC000191342522 261137042 /nfs/dbraw/zinc/13/70/42/261137042.db2.gz IMAWBNGMKQSADC-UHFFFAOYSA-N 0 0 307.325 0.674 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C(N)=O ZINC000192920197 261139640 /nfs/dbraw/zinc/13/96/40/261139640.db2.gz SHTOQHHEZYJBPF-SNVBAGLBSA-N 0 0 304.350 0.918 10 0 DCAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)C(N)=O ZINC000193093318 261140451 /nfs/dbraw/zinc/14/04/51/261140451.db2.gz JUJXDEGOOOEDQR-SECBINFHSA-N 0 0 304.350 0.883 10 0 DCAERN Cc1c([C@@H](C)NS(=O)(=O)c2cccc(C(N)=O)c2)cnn1C ZINC000193877107 261143990 /nfs/dbraw/zinc/14/39/90/261143990.db2.gz NZEDAZKURHOIHV-SECBINFHSA-N 0 0 322.390 0.867 10 0 DCAERN Cn1c(CN2C(=O)C(=O)N(C3CCCC3)C2=O)nnc1C1CC1 ZINC000194649131 261147578 /nfs/dbraw/zinc/14/75/78/261147578.db2.gz DPUUUPBUKJIBNA-UHFFFAOYSA-N 0 0 317.349 0.926 10 0 DCAERN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000194807536 261148297 /nfs/dbraw/zinc/14/82/97/261148297.db2.gz FDHXICLTDNWSLU-BXUZGUMPSA-N 0 0 317.389 0.967 10 0 DCAERN CCOCCOCC(=O)NCCC(=O)N1CCCCCC1 ZINC000194824055 261148594 /nfs/dbraw/zinc/14/85/94/261148594.db2.gz ADTLJWCVRNEVTC-UHFFFAOYSA-N 0 0 300.399 0.948 10 0 DCAERN O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CNC(=O)C1 ZINC000194798521 261148868 /nfs/dbraw/zinc/14/88/68/261148868.db2.gz KWZFFVZXDMQVLO-SECBINFHSA-N 0 0 317.267 0.775 10 0 DCAERN CC(C)CCOCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000195236278 261151482 /nfs/dbraw/zinc/15/14/82/261151482.db2.gz FDYPSAPVDORMQU-STQMWFEESA-N 0 0 308.444 0.993 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000224029899 261153043 /nfs/dbraw/zinc/15/30/43/261153043.db2.gz NQZHUYMGKCMZDB-RQJABVFESA-N 0 0 315.435 0.963 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO ZINC000228065462 261153214 /nfs/dbraw/zinc/15/32/14/261153214.db2.gz ZYYVMEUZIXMZNL-SCZZXKLOSA-N 0 0 307.803 0.903 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000234572701 261155135 /nfs/dbraw/zinc/15/51/35/261155135.db2.gz ATVTYXJKKFKYOD-USZNOCQGSA-N 0 0 305.396 0.767 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)COC ZINC000250038162 261166549 /nfs/dbraw/zinc/16/65/49/261166549.db2.gz BXNXSEKGVPYJSG-NWDGAFQWSA-N 0 0 306.428 0.589 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000317007491 261176514 /nfs/dbraw/zinc/17/65/14/261176514.db2.gz UKQMZWFCNJXMER-QWHCGFSZSA-N 0 0 308.378 0.657 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000357924030 261601578 /nfs/dbraw/zinc/60/15/78/261601578.db2.gz GPDMGHZHVFYCQI-VIFPVBQESA-N 0 0 306.366 0.299 10 0 DCAERN COC[C@@H](NC(=O)C(=O)NCc1ccn(C)n1)c1ccccc1 ZINC000357958711 261606018 /nfs/dbraw/zinc/60/60/18/261606018.db2.gz LBKPTAWJGJDPLF-CQSZACIVSA-N 0 0 316.361 0.540 10 0 DCAERN O=C(CCNC(=O)Cc1ccccc1)NC[C@H](CO)C1CC1 ZINC000358305273 261656543 /nfs/dbraw/zinc/65/65/43/261656543.db2.gz LWAVFCGUYMITCY-OAHLLOKOSA-N 0 0 304.390 0.870 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@H](C)N1C ZINC000358709924 261697266 /nfs/dbraw/zinc/69/72/66/261697266.db2.gz AIEFAWABMPBLFH-DVOMOZLQSA-N 0 0 307.394 0.150 10 0 DCAERN COC(=O)[C@@H](NC[C@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809151 261701124 /nfs/dbraw/zinc/70/11/24/261701124.db2.gz JEEXSYOVWNECBB-DZGCQCFKSA-N 0 0 314.451 0.736 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)CCOCCOC)C1 ZINC000358814099 261702008 /nfs/dbraw/zinc/70/20/08/261702008.db2.gz TXQZQVVVULFKRF-LBPRGKRZSA-N 0 0 316.402 0.095 10 0 DCAERN COCCC1(C)CN(C(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000358906836 261712766 /nfs/dbraw/zinc/71/27/66/261712766.db2.gz SYBIAJZXWLXLGC-UHFFFAOYSA-N 0 0 318.439 0.879 10 0 DCAERN CCn1ncnc1CNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000360351818 261825532 /nfs/dbraw/zinc/82/55/32/261825532.db2.gz JOHINSLNNNYWLO-UHFFFAOYSA-N 0 0 324.362 0.563 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360491996 261837433 /nfs/dbraw/zinc/83/74/33/261837433.db2.gz PETHHXZHHYJDQX-MNOVXSKESA-N 0 0 306.366 0.836 10 0 DCAERN CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361120739 261898866 /nfs/dbraw/zinc/89/88/66/261898866.db2.gz SIJQCIWYVLDTOC-KGLIPLIRSA-N 0 0 314.426 0.927 10 0 DCAERN COC(=O)C[C@]1(NC(=O)Cn2ncc3ccccc32)CCOC1 ZINC000362038293 261991830 /nfs/dbraw/zinc/99/18/30/261991830.db2.gz PBLXMQVWWIFZEH-MRXNPFEDSA-N 0 0 317.345 0.875 10 0 DCAERN COC[C@@](C)(NC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000362198422 262008331 /nfs/dbraw/zinc/00/83/31/262008331.db2.gz AOPDXEAVKABRCP-VXNVDRBHSA-N 0 0 303.302 0.505 10 0 DCAERN COC[C@](C)(NC(=O)Cc1nc2ncccn2n1)C(F)(F)F ZINC000362206152 262009564 /nfs/dbraw/zinc/00/95/64/262009564.db2.gz ZTQRHQADTMULPB-NSHDSACASA-N 0 0 317.271 0.750 10 0 DCAERN CCN(C(=O)CN1CCOCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000362232770 262013400 /nfs/dbraw/zinc/01/34/00/262013400.db2.gz CTKLWRHCWGGJGC-STQMWFEESA-N 0 0 318.439 0.133 10 0 DCAERN C[C@H]1CCOCCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362242135 262014572 /nfs/dbraw/zinc/01/45/72/262014572.db2.gz ZODQGTGNMPXRHH-JTQLQIEISA-N 0 0 313.379 0.977 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@H](CO)CCC(C)(C)C)ccc1=O ZINC000362267356 262017027 /nfs/dbraw/zinc/01/70/27/262017027.db2.gz SOLVWCXRQMICCU-LBPRGKRZSA-N 0 0 323.393 0.627 10 0 DCAERN COC(=O)COCC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000362314647 262021573 /nfs/dbraw/zinc/02/15/73/262021573.db2.gz FZEXVRZOJBGXGM-UHFFFAOYSA-N 0 0 314.294 0.002 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2ccn(C)c(=O)c2)no1 ZINC000362314055 262021696 /nfs/dbraw/zinc/02/16/96/262021696.db2.gz MVRMMQLWPLRDLW-UHFFFAOYSA-N 0 0 319.317 0.825 10 0 DCAERN C[C@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000362619296 262053715 /nfs/dbraw/zinc/05/37/15/262053715.db2.gz ADJRXVZQHBOWQQ-GHMZBOCLSA-N 0 0 305.444 0.951 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000362783821 262071952 /nfs/dbraw/zinc/07/19/52/262071952.db2.gz XVYKKFUGMSKBNJ-CQSZACIVSA-N 0 0 324.402 0.976 10 0 DCAERN COc1ccccc1CN(C)C(=O)[C@@H]1COCCN1C(C)=O ZINC000363148594 262101226 /nfs/dbraw/zinc/10/12/26/262101226.db2.gz NSEMCPQWOBXBNR-AWEZNQCLSA-N 0 0 306.362 0.901 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363791999 262130201 /nfs/dbraw/zinc/13/02/01/262130201.db2.gz HFRCPJKERSUJIY-LBPRGKRZSA-N 0 0 321.352 0.616 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363814913 262132188 /nfs/dbraw/zinc/13/21/88/262132188.db2.gz DXUZSIUOSWYJJQ-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN COc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1OC ZINC000363815569 262132589 /nfs/dbraw/zinc/13/25/89/262132589.db2.gz FUXNSDQYXWLEDN-ZDUSSCGKSA-N 0 0 306.362 0.860 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000392978474 262160898 /nfs/dbraw/zinc/16/08/98/262160898.db2.gz YVVIGPHRMAXTIK-POYBYMJQSA-N 0 0 306.775 0.019 10 0 DCAERN NC(=O)c1ncccc1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000358547128 271056455 /nfs/dbraw/zinc/05/64/55/271056455.db2.gz LMBPQQFYCQSFSV-UHFFFAOYSA-N 0 0 323.316 0.537 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000358640468 271059390 /nfs/dbraw/zinc/05/93/90/271059390.db2.gz MXHIBRYLHPIUQP-LURJTMIESA-N 0 0 313.305 0.642 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](CO)C2CC2)C1 ZINC000358781194 271072272 /nfs/dbraw/zinc/07/22/72/271072272.db2.gz OCOMIUQUVMDRBA-HZSPNIEDSA-N 0 0 311.426 0.951 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCc2nc(N(C)C)no2)no1 ZINC000359007216 271087884 /nfs/dbraw/zinc/08/78/84/271087884.db2.gz FTNFGHJREGMYOS-UHFFFAOYSA-N 0 0 323.357 0.816 10 0 DCAERN CCN(C1CCN([C@@H](C(=O)OC)C2CC2)CC1)S(C)(=O)=O ZINC000359606966 271130239 /nfs/dbraw/zinc/13/02/39/271130239.db2.gz ZAPWGKQPSFIFFB-CYBMUJFWSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000360900864 271163539 /nfs/dbraw/zinc/16/35/39/271163539.db2.gz BXILOXFNLUSWCA-AAVRWANBSA-N 0 0 312.410 0.537 10 0 DCAERN O=C(c1c[nH]nc1-c1ccoc1)N1CCN2CCOC[C@@H]2C1 ZINC000363763399 271204612 /nfs/dbraw/zinc/20/46/12/271204612.db2.gz GMVDXFKIYSMTKL-LBPRGKRZSA-N 0 0 302.334 0.826 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000363900013 271206744 /nfs/dbraw/zinc/20/67/44/271206744.db2.gz KDHZENLDUYKMII-MEQWQQMJSA-N 0 0 323.393 0.590 10 0 DCAERN c1nc(N2CCOCC2)sc1CN1CCN2CCOC[C@H]2C1 ZINC000363889612 271206934 /nfs/dbraw/zinc/20/69/34/271206934.db2.gz QAGOOUKMTUDJSC-CYBMUJFWSA-N 0 0 324.450 0.496 10 0 DCAERN C[C@@H]1CC[C@H](CN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)O1 ZINC000367523790 271210756 /nfs/dbraw/zinc/21/07/56/271210756.db2.gz PIECTBIRNAULSK-BNOWGMLFSA-N 0 0 313.423 0.759 10 0 DCAERN C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000398715859 271219026 /nfs/dbraw/zinc/21/90/26/271219026.db2.gz QIYCTWVCPFMPRH-LPWJVIDDSA-N 0 0 306.428 0.291 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2cn(C)nc2C(C)C)CCO1 ZINC000435194902 271554781 /nfs/dbraw/zinc/55/47/81/271554781.db2.gz BWSAPKFUAUPBSN-LLVKDONJSA-N 0 0 309.370 0.522 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446531166 271762233 /nfs/dbraw/zinc/76/22/33/271762233.db2.gz KQMRNHGNPDYZHX-HZGVNTEJSA-N 0 0 307.276 0.587 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N[C@H](C)CCCO)c1 ZINC000446822804 271769657 /nfs/dbraw/zinc/76/96/57/271769657.db2.gz GXTUBDBPSMPIEE-SNVBAGLBSA-N 0 0 315.395 0.877 10 0 DCAERN COc1ccc(CNC(=O)C(=O)Nc2c(C)nn(C)c2C)nc1 ZINC000447323651 271787093 /nfs/dbraw/zinc/78/70/93/271787093.db2.gz BUFLFYRPVJMARE-UHFFFAOYSA-N 0 0 317.349 0.695 10 0 DCAERN CO[C@@H](Cc1ccccc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000450588729 271875651 /nfs/dbraw/zinc/87/56/51/271875651.db2.gz WEAHFDIHRCHENG-HOTGVXAUSA-N 0 0 304.390 0.787 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000451310679 271894703 /nfs/dbraw/zinc/89/47/03/271894703.db2.gz FVYRDWODZOHLPY-RYUDHWBXSA-N 0 0 306.428 0.541 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CC12COC2 ZINC000452228360 271911748 /nfs/dbraw/zinc/91/17/48/271911748.db2.gz NKGFNCUUAMGFOU-QWHCGFSZSA-N 0 0 311.378 0.984 10 0 DCAERN CCCCN(CC)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459825395 272013828 /nfs/dbraw/zinc/01/38/28/272013828.db2.gz DKSPEJAESIKAEX-INIZCTEOSA-N 0 0 309.410 0.764 10 0 DCAERN COc1ncc(NC(=O)N[C@H]2CC[C@@H](OC)C2)cc1C(N)=O ZINC000471936097 272033423 /nfs/dbraw/zinc/03/34/23/272033423.db2.gz WZXMFJJUPVTMPY-WCBMZHEXSA-N 0 0 308.338 0.878 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(OC)c1 ZINC000487162417 272039033 /nfs/dbraw/zinc/03/90/33/272039033.db2.gz VFIAXERHZDHMPA-WDEREUQCSA-N 0 0 322.361 0.881 10 0 DCAERN CC(=O)NCCCNC(=O)NCCCc1nnc2ccccn21 ZINC000489346190 272060540 /nfs/dbraw/zinc/06/05/40/272060540.db2.gz HGCGHJWLPBRDKY-UHFFFAOYSA-N 0 0 318.381 0.487 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@@H](O)C(F)F ZINC000489497942 272062709 /nfs/dbraw/zinc/06/27/09/272062709.db2.gz LTKBXKYJUCNIOT-SECBINFHSA-N 0 0 313.308 0.587 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NCCn1cccn1 ZINC000489457040 272062824 /nfs/dbraw/zinc/06/28/24/272062824.db2.gz BBOHWPLSIMTPBQ-UHFFFAOYSA-N 0 0 313.365 0.858 10 0 DCAERN Cc1nnc(S(=O)(=O)CC(=O)N(C)CC2CC2)n1C(C)C ZINC000490424083 272075224 /nfs/dbraw/zinc/07/52/24/272075224.db2.gz YJHCGAUKMFOXMZ-UHFFFAOYSA-N 0 0 314.411 0.810 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC(C)(C)C ZINC000494404399 272220821 /nfs/dbraw/zinc/22/08/21/272220821.db2.gz KHFIESOUWYGNGL-VHSXEESVSA-N 0 0 301.387 0.788 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000494427631 272221444 /nfs/dbraw/zinc/22/14/44/272221444.db2.gz UHBYGRWDXFSVAH-AWEZNQCLSA-N 0 0 319.405 0.782 10 0 DCAERN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1nncn1C ZINC000494789720 272231640 /nfs/dbraw/zinc/23/16/40/272231640.db2.gz DRIQRBDLKDZIQB-SECBINFHSA-N 0 0 303.322 0.833 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000530850935 272749040 /nfs/dbraw/zinc/74/90/40/272749040.db2.gz WPWYIWDQGBAJGZ-VSBTWAGUSA-N 0 0 307.394 0.370 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3c(cnn3C)c2)[C@H](C)C1 ZINC000532427555 272787965 /nfs/dbraw/zinc/78/79/65/272787965.db2.gz IJNVXMHHDXYEKF-SNVBAGLBSA-N 0 0 301.350 0.661 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1cccc2c1OCO2 ZINC000531550801 287780943 /nfs/dbraw/zinc/78/09/43/287780943.db2.gz MXPKLTRFZBRJBQ-UHFFFAOYSA-N 0 0 304.310 0.280 10 0 DCAERN COc1cc(CNC(=O)N(C)Cc2nnnn2C)ccc1O ZINC000531553932 287780947 /nfs/dbraw/zinc/78/09/47/287780947.db2.gz JLZMQPNTBBTVHT-UHFFFAOYSA-N 0 0 306.326 0.266 10 0 DCAERN Cc1cc(NC(=O)C(=O)NCc2ccn(C)n2)n(C(C)(C)C)n1 ZINC000535031600 287825357 /nfs/dbraw/zinc/82/53/57/287825357.db2.gz ANKOSXSXZLMFME-UHFFFAOYSA-N 0 0 318.381 0.935 10 0 DCAERN COc1ccc2c(c1)OC[C@H]2CC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000535713093 287837402 /nfs/dbraw/zinc/83/74/02/287837402.db2.gz FPABPNUETREJPV-GHMZBOCLSA-N 0 0 319.361 0.831 10 0 DCAERN Cn1ncc2cc(C(=O)N3CCSC[C@@H]3CCO)cnc21 ZINC000535797488 287844490 /nfs/dbraw/zinc/84/44/90/287844490.db2.gz BWAQVWREHXOSSY-LBPRGKRZSA-N 0 0 306.391 0.908 10 0 DCAERN CCc1cccc(OCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000536637477 287859695 /nfs/dbraw/zinc/85/96/95/287859695.db2.gz YUQJFGUIYWGUGO-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN CC(CO)(CO)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000536737877 287861231 /nfs/dbraw/zinc/86/12/31/287861231.db2.gz XYFRULIYOOTBPQ-UHFFFAOYSA-N 0 0 309.366 0.388 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000347018738 287863868 /nfs/dbraw/zinc/86/38/68/287863868.db2.gz QZXNZTKVQBYYDT-UPJWGTAASA-N 0 0 310.394 0.840 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCCc2c(N)cccc21 ZINC000236766589 276097983 /nfs/dbraw/zinc/09/79/83/276097983.db2.gz BQBYSWDZEABISD-UHFFFAOYSA-N 0 0 316.361 0.878 10 0 DCAERN O=C1NCCN(C[C@@H](O)COC[C@H]2CCCO2)c2ccccc21 ZINC000539097506 287888243 /nfs/dbraw/zinc/88/82/43/287888243.db2.gz YCIJJTMFHPJVHX-ZIAGYGMSSA-N 0 0 320.389 0.793 10 0 DCAERN CCN1C(=O)[C@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCN2C1=O ZINC000364175371 276357324 /nfs/dbraw/zinc/35/73/24/276357324.db2.gz IIULLSVQHPMKCY-XQHKEYJVSA-N 0 0 305.378 0.918 10 0 DCAERN CN1CCC[C@@H](N2CCn3c(nnc3-c3cccnc3)C2)C1=O ZINC000539808622 287896799 /nfs/dbraw/zinc/89/67/99/287896799.db2.gz KBHJMPBWHIMMDS-CYBMUJFWSA-N 0 0 312.377 0.777 10 0 DCAERN c1nnc([C@H]2CCCN(c3nccn4nnnc34)C2)n1C1CC1 ZINC000540337991 287902272 /nfs/dbraw/zinc/90/22/72/287902272.db2.gz HYJGKIAUHWEQTL-JTQLQIEISA-N 0 0 311.353 0.830 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](O)CN1CCCC1=O ZINC000248820803 277110625 /nfs/dbraw/zinc/11/06/25/277110625.db2.gz JFMMUPUKQKJGQU-COMQUAJESA-N 0 0 310.394 0.243 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C ZINC000408389471 277128361 /nfs/dbraw/zinc/12/83/61/277128361.db2.gz KQKMIKYERNSRNJ-MNOVXSKESA-N 0 0 307.350 0.937 10 0 DCAERN O=C(Cc1csc2ccccc12)NCCN1CCNC(=O)C1 ZINC000543759805 287966839 /nfs/dbraw/zinc/96/68/39/287966839.db2.gz FSQYHNBECREMBM-UHFFFAOYSA-N 0 0 317.414 0.992 10 0 DCAERN COCCn1cc(NC(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000544536362 287976608 /nfs/dbraw/zinc/97/66/08/287976608.db2.gz TZEKJUBVPCJVCL-CYBMUJFWSA-N 0 0 309.370 0.078 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268714559 277963677 /nfs/dbraw/zinc/96/36/77/277963677.db2.gz ITDUSQHTQDUXFG-QWHCGFSZSA-N 0 0 310.350 0.409 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCS[C@@H](C)CC2)C1 ZINC000408056842 278017942 /nfs/dbraw/zinc/01/79/42/278017942.db2.gz MEWNGRJKAQAGBM-FZMZJTMJSA-N 0 0 300.424 0.714 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC(=O)N1C ZINC000367115046 288004466 /nfs/dbraw/zinc/00/44/66/288004466.db2.gz VPAJRRFJWNYPKE-RULNRJAQSA-N 0 0 311.407 0.130 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCS[C@H](C)CC2)C1 ZINC000408056841 278031580 /nfs/dbraw/zinc/03/15/80/278031580.db2.gz MEWNGRJKAQAGBM-BXUZGUMPSA-N 0 0 300.424 0.714 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000408045871 278031588 /nfs/dbraw/zinc/03/15/88/278031588.db2.gz IWFAWTIAHVDLJV-IIAWOOMASA-N 0 0 310.394 0.530 10 0 DCAERN CC(=O)OC[C@H]1O[C@H](F)[C@@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000077292612 278219911 /nfs/dbraw/zinc/21/99/11/278219911.db2.gz OZIWIFNLCSFOGJ-ROHXPCBUSA-N 0 0 310.249 0.445 10 0 in-vitro DCAERN CC(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000106380643 278222274 /nfs/dbraw/zinc/22/22/74/278222274.db2.gz QZKDRLZSJSWQPS-KZZRWZIVSA-N 0 0 302.323 0.946 10 0 DCAERN CC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(S(N)(=O)=O)c1 ZINC000368542487 278247995 /nfs/dbraw/zinc/24/79/95/278247995.db2.gz DALQUMIQWQIIIF-TXEJJXNPSA-N 0 0 310.375 0.904 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000546696430 288026473 /nfs/dbraw/zinc/02/64/73/288026473.db2.gz YQEPEVPUTGRHLL-IACUBPJLSA-N 0 0 306.362 0.007 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000547405024 288044272 /nfs/dbraw/zinc/04/42/72/288044272.db2.gz RWIPZHNPHCKZFB-LBPRGKRZSA-N 0 0 302.334 0.905 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408064235 278475584 /nfs/dbraw/zinc/47/55/84/278475584.db2.gz UGJKABSOESCJFF-AWEZNQCLSA-N 0 0 316.423 0.328 10 0 DCAERN O=C(NCc1nnc2ccccn21)N[C@@H]1CCn2ccnc2C1 ZINC000547673431 288067414 /nfs/dbraw/zinc/06/74/14/288067414.db2.gz COJDGWTWTCGUNR-LLVKDONJSA-N 0 0 311.349 0.740 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cnn(Cc2ccccc2)c1 ZINC000547732376 288073583 /nfs/dbraw/zinc/07/35/83/288073583.db2.gz OHXVUBQDKIGJIW-UHFFFAOYSA-N 0 0 314.345 0.729 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nncn1Cc1ccccc1 ZINC000547733557 288073918 /nfs/dbraw/zinc/07/39/18/288073918.db2.gz RPBJZXPOUFUWIA-UHFFFAOYSA-N 0 0 315.333 0.124 10 0 DCAERN C[C@H]1OCC[C@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547846015 288084615 /nfs/dbraw/zinc/08/46/15/288084615.db2.gz JMNUZCFYGMXAHG-TZMCWYRMSA-N 0 0 305.378 0.959 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)c2ncn(C)n2)C1 ZINC000548036684 288103918 /nfs/dbraw/zinc/10/39/18/288103918.db2.gz RIBLJGFXKIQPKT-GHMZBOCLSA-N 0 0 308.386 0.576 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000548064183 288108301 /nfs/dbraw/zinc/10/83/01/288108301.db2.gz QCEZXTBYSWILRH-BBRMVZONSA-N 0 0 320.389 0.817 10 0 DCAERN CN(CCc1cnccn1)C(=O)[C@](C)(O)Cn1ccccc1=O ZINC000548064004 288108401 /nfs/dbraw/zinc/10/84/01/288108401.db2.gz ZNKIEVFVWNAZMT-MRXNPFEDSA-N 0 0 316.361 0.090 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)CC1 ZINC000548088816 288110233 /nfs/dbraw/zinc/11/02/33/288110233.db2.gz TUWVZXOTEIKDTJ-UHFFFAOYSA-N 0 0 316.361 0.935 10 0 DCAERN Cn1cc(NC(=O)[C@H]2CSc3ccccc32)c(=O)n(C)c1=O ZINC000173082732 279344626 /nfs/dbraw/zinc/34/46/26/279344626.db2.gz VGGHORSEKOGGAO-JTQLQIEISA-N 0 0 317.370 0.912 10 0 DCAERN CCc1cc(CNC(=O)[C@@](C)(O)Cn2ccccc2=O)on1 ZINC000548388640 288138563 /nfs/dbraw/zinc/13/85/63/288138563.db2.gz KKJFCHNPDQZKMI-HNNXBMFYSA-N 0 0 305.334 0.466 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCOCC2(CCC2)C1 ZINC000548392060 288139004 /nfs/dbraw/zinc/13/90/04/288139004.db2.gz PQXUGLCUTLSQRU-MRXNPFEDSA-N 0 0 320.389 0.628 10 0 DCAERN COC(=O)CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000548424880 288141509 /nfs/dbraw/zinc/14/15/09/288141509.db2.gz DUTNSKFHPNHWOW-UONOGXRCSA-N 0 0 310.394 0.794 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000173625307 279587354 /nfs/dbraw/zinc/58/73/54/279587354.db2.gz GZQLLXAWINXNMK-WDEREUQCSA-N 0 0 322.413 0.888 10 0 DCAERN C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)c2c(O)cccc21 ZINC000274380666 279698580 /nfs/dbraw/zinc/69/85/80/279698580.db2.gz MTKGQTWYRKNARV-VIFPVBQESA-N 0 0 303.318 0.784 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1ccccc1-n1ccnc1 ZINC000548715726 288169779 /nfs/dbraw/zinc/16/97/79/288169779.db2.gz NLCNCJMMQJZAHT-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cnc(-c2ccccc2)nc1 ZINC000548715238 288169901 /nfs/dbraw/zinc/16/99/01/288169901.db2.gz NBUOHERLVZPKNH-UHFFFAOYSA-N 0 0 312.329 0.941 10 0 DCAERN CC(=O)N1CCc2c1cccc2NC(=O)CN1CCOCC1=O ZINC000548721059 288170600 /nfs/dbraw/zinc/17/06/00/288170600.db2.gz YBLJZFPQZRMYGW-UHFFFAOYSA-N 0 0 317.345 0.393 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000548763668 288174430 /nfs/dbraw/zinc/17/44/30/288174430.db2.gz HKEXKKAXVJCGTQ-GJZGRUSLSA-N 0 0 322.409 0.559 10 0 DCAERN Cn1cccc1C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000548775396 288175815 /nfs/dbraw/zinc/17/58/15/288175815.db2.gz RPMFQYFRHYQQCX-VIFPVBQESA-N 0 0 303.284 0.961 10 0 DCAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000177120835 279908249 /nfs/dbraw/zinc/90/82/49/279908249.db2.gz COVSWPBSDROTBD-WCQYABFASA-N 0 0 316.361 0.929 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)COc1cnn(C)c1)C2 ZINC000548804632 288177766 /nfs/dbraw/zinc/17/77/66/288177766.db2.gz MNQMTQLFMPZJAO-LBPRGKRZSA-N 0 0 301.350 0.571 10 0 DCAERN C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@]2(CCCOC2)O1 ZINC000548828277 288180567 /nfs/dbraw/zinc/18/05/67/288180567.db2.gz YMDTUJZNYVFAJA-DOMZBBRYSA-N 0 0 309.366 0.595 10 0 DCAERN CN(CC(=O)OC(C)(C)C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000548909117 288186634 /nfs/dbraw/zinc/18/66/34/288186634.db2.gz UBFRUBPYTFBQIQ-OLZOCXBDSA-N 0 0 303.399 0.816 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3nn(C)cc32)C[C@@H](CO)O1 ZINC000549209810 288194886 /nfs/dbraw/zinc/19/48/86/288194886.db2.gz ATETVOVAHZUUCH-NTZNESFSSA-N 0 0 308.382 0.589 10 0 DCAERN CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)CC1(O)CCOCC1 ZINC000162080347 280124703 /nfs/dbraw/zinc/12/47/03/280124703.db2.gz HYABLMDLZSZQEX-MNOVXSKESA-N 0 0 301.387 0.069 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)N1CCCC1=O ZINC000328889055 280157876 /nfs/dbraw/zinc/15/78/76/280157876.db2.gz QNOMTPNKYNFMDE-OFQRWUPVSA-N 0 0 323.437 0.565 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H]1CCO[C@H]1C)N1CCCS1(=O)=O ZINC000129818931 280184285 /nfs/dbraw/zinc/18/42/85/280184285.db2.gz FTKNMDBDZQSPAO-SDDRHHMPSA-N 0 0 304.412 0.340 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000156401230 280230753 /nfs/dbraw/zinc/23/07/53/280230753.db2.gz HSCZAYPZRHDEDB-RDBSUJKOSA-N 0 0 309.410 0.367 10 0 DCAERN CCC(=O)Nc1cccc(CNC(=O)C(=O)N(C)CCCO)c1 ZINC000550880898 288221142 /nfs/dbraw/zinc/22/11/42/288221142.db2.gz QZKMRHSCKFRENN-UHFFFAOYSA-N 0 0 321.377 0.492 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176606505 280360116 /nfs/dbraw/zinc/36/01/16/280360116.db2.gz DQPHJMADLDYREF-MNOVXSKESA-N 0 0 306.370 0.279 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCS1 ZINC000408067039 288227453 /nfs/dbraw/zinc/22/74/53/288227453.db2.gz INLZWJHOYARBKS-SECBINFHSA-N 0 0 313.466 0.331 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000329310498 280391890 /nfs/dbraw/zinc/39/18/90/280391890.db2.gz POKOSWVUTJUTHU-JHJVBQTASA-N 0 0 318.439 0.540 10 0 DCAERN CN(C(=O)NCCOCC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000551559815 288230049 /nfs/dbraw/zinc/23/00/49/288230049.db2.gz CKLGWTJJSYXXNN-GFCCVEGCSA-N 0 0 304.412 0.632 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000156341659 288236644 /nfs/dbraw/zinc/23/66/44/288236644.db2.gz QMQCQOIIECIWCR-IJLUTSLNSA-N 0 0 306.428 0.888 10 0 DCAERN CC(C)c1nn(C)c(Cl)c1CN1CCO[C@@H](C(N)=O)C1 ZINC000092735418 280694718 /nfs/dbraw/zinc/69/47/18/280694718.db2.gz BRZJQTIRSXVFLJ-SNVBAGLBSA-N 0 0 300.790 0.883 10 0 DCAERN CCCN1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000552710071 288279728 /nfs/dbraw/zinc/27/97/28/288279728.db2.gz JRKSVKRPZPYLOQ-UHFFFAOYSA-N 0 0 315.377 0.827 10 0 DCAERN CC(C)(CCO)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552742736 288279949 /nfs/dbraw/zinc/27/99/49/288279949.db2.gz XCAFCSRCXSHUAG-UHFFFAOYSA-N 0 0 304.350 0.798 10 0 DCAERN CC[C@H](O)CN1CCN(c2ncccc2S(C)(=O)=O)CC1 ZINC000302759906 281000590 /nfs/dbraw/zinc/00/05/90/281000590.db2.gz WWXXREAEKUZGMK-LBPRGKRZSA-N 0 0 313.423 0.378 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1ncsc1Br ZINC000553199236 288290675 /nfs/dbraw/zinc/29/06/75/288290675.db2.gz SZLTYAYZEXHDNI-VIFPVBQESA-N 0 0 307.169 0.787 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)c2cccc3ncnn32)CCCC1 ZINC000553236301 288292225 /nfs/dbraw/zinc/29/22/25/288292225.db2.gz LAWNFNNZWONQLA-UHFFFAOYSA-N 0 0 322.390 0.817 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000554091956 288313245 /nfs/dbraw/zinc/31/32/45/288313245.db2.gz GFZAWQAEOHJFAF-CYBMUJFWSA-N 0 0 318.439 0.927 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000553865998 288309244 /nfs/dbraw/zinc/30/92/44/288309244.db2.gz FETRZIKYJWEHPL-JTQLQIEISA-N 0 0 314.411 0.408 10 0 DCAERN Cc1cc(CCNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)on1 ZINC000553926421 288310801 /nfs/dbraw/zinc/31/08/01/288310801.db2.gz PXHWNWVZXPKZLI-CHWSQXEVSA-N 0 0 310.398 0.934 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)COc2cnn(C)c2)C12CCOCC2 ZINC000554528788 288326249 /nfs/dbraw/zinc/32/62/49/288326249.db2.gz GTDUOUIKMYCUPW-KGLIPLIRSA-N 0 0 323.393 0.889 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)COc2cnn(C)c2)[C@]12CCCO2 ZINC000554528586 288326393 /nfs/dbraw/zinc/32/63/93/288326393.db2.gz BQFIVGSEAWEFKJ-GZBFAFLISA-N 0 0 309.366 0.642 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(O[C@H]3CCOC3)CC2)cn1 ZINC000554530577 288326712 /nfs/dbraw/zinc/32/67/12/288326712.db2.gz LNRSERMGVRPPFR-ZDUSSCGKSA-N 0 0 309.366 0.595 10 0 DCAERN C[C@H]1CN(C(=O)COc2cnn(C)c2)CC2(CCOCC2)O1 ZINC000554579615 288330834 /nfs/dbraw/zinc/33/08/34/288330834.db2.gz ALQSQXOMEUHWRP-LBPRGKRZSA-N 0 0 309.366 0.595 10 0 DCAERN CN(CCCO)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000555956665 288366916 /nfs/dbraw/zinc/36/69/16/288366916.db2.gz MSPIRPQVFWRLTA-UHFFFAOYSA-N 0 0 312.391 0.919 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408092211 282072428 /nfs/dbraw/zinc/07/24/28/282072428.db2.gz KPMIXXYQAQBIRF-XHDPSFHLSA-N 0 0 315.373 0.934 10 0 DCAERN COC(=O)C1(NC[C@@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000556759143 288391678 /nfs/dbraw/zinc/39/16/78/288391678.db2.gz GHIBIRLOAWIQCI-CHWSQXEVSA-N 0 0 301.383 0.618 10 0 DCAERN O=C(C1CCCCC1)N1CCN(S(=O)(=O)N2CCC2)CC1 ZINC000556809139 288395997 /nfs/dbraw/zinc/39/59/97/288395997.db2.gz NWPRYKVGJQQNFG-UHFFFAOYSA-N 0 0 315.439 0.661 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@H]1CCCS1(=O)=O ZINC000558646108 288452710 /nfs/dbraw/zinc/45/27/10/288452710.db2.gz RIEDSCQDBDBJIH-GFCCVEGCSA-N 0 0 304.412 0.680 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cnn(CC)c1 ZINC000560104029 288485513 /nfs/dbraw/zinc/48/55/13/288485513.db2.gz YVGZLXCKHIVOSF-QWRGUYRKSA-N 0 0 324.381 0.018 10 0 DCAERN CCC(O)(CC)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560988586 288522979 /nfs/dbraw/zinc/52/29/79/288522979.db2.gz BUURQOCAAXIZKH-UHFFFAOYSA-N 0 0 304.350 0.940 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000562304269 288564649 /nfs/dbraw/zinc/56/46/49/288564649.db2.gz XCKSOCDDGXWBHC-GJZGRUSLSA-N 0 0 321.425 0.815 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@H]1COc2ccccc2C1 ZINC000282132427 288836398 /nfs/dbraw/zinc/83/63/98/288836398.db2.gz HEABIYBVXIDFBK-UHTWSYAYSA-N 0 0 303.362 0.956 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)c2cccn(C)c2=O)C(C)(C)C1 ZINC000408123440 288979262 /nfs/dbraw/zinc/97/92/62/288979262.db2.gz GUTJVXJMRJNWGL-UHFFFAOYSA-N 0 0 320.393 0.603 10 0 DCAERN CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333918517 289004454 /nfs/dbraw/zinc/00/44/54/289004454.db2.gz OHNVKIJSNIZMJB-YVECIDJPSA-N 0 0 300.424 0.915 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000329690174 289047235 /nfs/dbraw/zinc/04/72/35/289047235.db2.gz GKISJYNFHHEJLD-DVOMOZLQSA-N 0 0 318.421 0.836 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000408418561 289230259 /nfs/dbraw/zinc/23/02/59/289230259.db2.gz ZJRDNTUSHYPAAT-CYBMUJFWSA-N 0 0 306.428 0.325 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408041863 289237642 /nfs/dbraw/zinc/23/76/42/289237642.db2.gz IUVUQXPSXSMWLV-MJBXVCDLSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@H](C(=O)N1CCc2sccc2C1)N1CCNC(=O)CC1 ZINC000065955280 289306452 /nfs/dbraw/zinc/30/64/52/289306452.db2.gz OCMDGNYONACVGJ-LLVKDONJSA-N 0 0 307.419 0.843 10 0 DCAERN CN1CCN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1=O ZINC000174387237 290017881 /nfs/dbraw/zinc/01/78/81/290017881.db2.gz KZPVNUVUXGUWLV-QWHCGFSZSA-N 0 0 305.382 0.850 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 ZINC000245458898 290074630 /nfs/dbraw/zinc/07/46/30/290074630.db2.gz KYDVACBJLDPJOG-LSDHHAIUSA-N 0 0 317.389 0.407 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000191716950 290366420 /nfs/dbraw/zinc/36/64/20/290366420.db2.gz NSDRBMMEZDALSE-UHFFFAOYSA-N 0 0 321.768 0.981 10 0 DCAERN COCc1nc2n(n1)C[C@@H](N1C(=O)N3CCC[C@]3(C)C1=O)CC2 ZINC000329434792 293339070 /nfs/dbraw/zinc/33/90/70/293339070.db2.gz JGZHRNNSJQXXFP-ZUZCIYMTSA-N 0 0 319.365 0.556 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cn(C)c(=O)[nH]c2=O)[nH]1 ZINC000328679233 293365103 /nfs/dbraw/zinc/36/51/03/293365103.db2.gz MVOCVDGAZLQWNF-JTQLQIEISA-N 0 0 318.337 0.280 10 0 DCAERN Cc1nnc2ccc(C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)cn12 ZINC000408063971 293884418 /nfs/dbraw/zinc/88/44/18/293884418.db2.gz YECITGNCZYMFTC-GXSJLCMTSA-N 0 0 301.350 0.764 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCN2C)n1 ZINC000285046601 293978960 /nfs/dbraw/zinc/97/89/60/293978960.db2.gz WKHZYGSNBMUMAY-GFCCVEGCSA-N 0 0 316.365 0.719 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1(C)C ZINC000408106996 294017269 /nfs/dbraw/zinc/01/72/69/294017269.db2.gz MPXLQCNPXWNWMT-WHOHXGKFSA-N 0 0 318.439 0.874 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CC[C@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000177279546 294252859 /nfs/dbraw/zinc/25/28/59/294252859.db2.gz VPVUCEXULXFXRM-ZYHUDNBSSA-N 0 0 318.299 0.525 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000367038585 294288774 /nfs/dbraw/zinc/28/87/74/294288774.db2.gz ZRQDNAJFAXXOIC-FVCCEPFGSA-N 0 0 307.412 0.619 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000192923754 294297766 /nfs/dbraw/zinc/29/77/66/294297766.db2.gz NHEKDCCNXOASCM-NXEZZACHSA-N 0 0 303.428 0.922 10 0 DCAERN COc1cc2c(c(C)c1)NC(=O)[C@@]21NC(=O)[C@H]2CSCCN21 ZINC000273347837 295029149 /nfs/dbraw/zinc/02/91/49/295029149.db2.gz PCQGCMAWSFMQLO-IAQYHMDHSA-N 0 0 319.386 0.656 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000091780971 295118981 /nfs/dbraw/zinc/11/89/81/295118981.db2.gz JJJZGPWXXDZWBE-LBPRGKRZSA-N 0 0 322.748 0.829 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cccc(Br)c1 ZINC000091780277 295159420 /nfs/dbraw/zinc/15/94/20/295159420.db2.gz STXKFYJXVJENGT-SNVBAGLBSA-N 0 0 313.151 0.775 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000247245070 295317949 /nfs/dbraw/zinc/31/79/49/295317949.db2.gz WYIKAPFKASWMLH-IHRRRGAJSA-N 0 0 304.346 0.511 10 0 DCAERN COc1ccccc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000056100577 295378414 /nfs/dbraw/zinc/37/84/14/295378414.db2.gz GXUCQLPHCUFCHN-QWRGUYRKSA-N 0 0 312.391 0.970 10 0 DCAERN C[C@H]1OCCN(CC(=O)NCc2ccc(F)cc2)[C@@H]1C(N)=O ZINC000285216696 300599497 /nfs/dbraw/zinc/59/94/97/300599497.db2.gz PCPGZOUBEQMIQT-YGRLFVJLSA-N 0 0 309.341 0.017 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c2n1 ZINC000108904864 302263572 /nfs/dbraw/zinc/26/35/72/302263572.db2.gz JVGTURYEQFRPCL-GFCCVEGCSA-N 0 0 301.350 0.634 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@@H](C)C[C@H]3C(N)=O)c2n1 ZINC000188485765 302263981 /nfs/dbraw/zinc/26/39/81/302263981.db2.gz MPIMJHIRTXOVCR-SKDRFNHKSA-N 0 0 301.350 0.764 10 0 DCAERN Cn1c(=O)c2ccc(C(=O)[O-])cc2nc1N1CCC[NH2+]CC1 ZINC000040351732 302892776 /nfs/dbraw/zinc/89/27/76/302892776.db2.gz GFJDESWAQLKMHI-UHFFFAOYSA-N 0 0 302.334 0.431 10 0 DCAERN Cn1nccc1CC(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000278294181 303065775 /nfs/dbraw/zinc/06/57/75/303065775.db2.gz BIQVLYKDZARZIR-KGLIPLIRSA-N 0 0 305.378 0.949 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)C[C@H](O)Cc2ccccc2)C1 ZINC000570730436 332807335 /nfs/dbraw/zinc/80/73/35/332807335.db2.gz SOTQELZEIXMAGL-JKSUJKDBSA-N 0 0 304.390 0.965 10 0 DCAERN C[C@@H](OC[C@H]1CCCCO1)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332776778 332868806 /nfs/dbraw/zinc/86/88/06/332868806.db2.gz VAFSWLWZKVOPOF-YIYPIFLZSA-N 0 0 324.381 0.308 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332785540 332870692 /nfs/dbraw/zinc/87/06/92/332870692.db2.gz RCMPXEBXVWSYTP-IEECTRCBSA-N 0 0 323.397 0.577 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](C)O1 ZINC000332829372 332879408 /nfs/dbraw/zinc/87/94/08/332879408.db2.gz POQQDRKNTTWFQL-ZDEQEGDKSA-N 0 0 309.370 0.427 10 0 DCAERN C[C@@H](NC(=O)N1CCc2cncnc2C1)[C@@H](C)N1CCOCC1 ZINC000332843392 332884154 /nfs/dbraw/zinc/88/41/54/332884154.db2.gz OYPIODPHSCYEGI-CHWSQXEVSA-N 0 0 319.409 0.654 10 0 DCAERN COCn1nccc1S(=O)(=O)NCCOCC1CCC1 ZINC000584284712 332211219 /nfs/dbraw/zinc/21/12/19/332211219.db2.gz ZOXHLGTXWGMKDC-UHFFFAOYSA-N 0 0 303.384 0.582 10 0 DCAERN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc2n[nH]nc2n1 ZINC000580127179 332950462 /nfs/dbraw/zinc/95/04/62/332950462.db2.gz ZWQBYJLBFSKMIW-SSDOTTSWSA-N 0 0 314.271 0.719 10 0 DCAERN CCS(=O)(=O)CC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000188260413 333040800 /nfs/dbraw/zinc/04/08/00/333040800.db2.gz AONFRPOICUIREP-UHFFFAOYSA-N 0 0 308.363 0.700 10 0 DCAERN Cn1cnc(-c2ccc(OC[C@H](O)CN3CCOCC3)cc2)n1 ZINC000189471096 333090068 /nfs/dbraw/zinc/09/00/68/333090068.db2.gz CRRHUGKEFBAYBA-CQSZACIVSA-N 0 0 318.377 0.554 10 0 DCAERN COC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000183377577 333184365 /nfs/dbraw/zinc/18/43/65/333184365.db2.gz BTCYZWYCTMTZCW-ZDUSSCGKSA-N 0 0 304.346 0.367 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000582158186 335136098 /nfs/dbraw/zinc/13/60/98/335136098.db2.gz CDDNVJRZOWUQKE-UHFFFAOYSA-N 0 0 312.333 0.334 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1=O ZINC000190600353 336265812 /nfs/dbraw/zinc/26/58/12/336265812.db2.gz MBESZPYDTLDKSR-UHFFFAOYSA-N 0 0 314.345 0.546 10 0 DCAERN COCCO[C@H]1COCC[C@H]1N1C(=O)CN(C2CCC2)C1=O ZINC000583670818 336390813 /nfs/dbraw/zinc/39/08/13/336390813.db2.gz YNRWUZSGQNQGHE-OLZOCXBDSA-N 0 0 312.366 0.624 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000583059552 337234125 /nfs/dbraw/zinc/23/41/25/337234125.db2.gz QQPNXQKUXPAAIQ-UKRRQHHQSA-N 0 0 318.373 0.819 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)s1 ZINC000396919400 337242654 /nfs/dbraw/zinc/24/26/54/337242654.db2.gz IOQBFHLSPSALLO-KOLCDFICSA-N 0 0 305.421 0.674 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)C1 ZINC000583853791 337343539 /nfs/dbraw/zinc/34/35/39/337343539.db2.gz WWQGPUVMQUKXIQ-RDJZCZTQSA-N 0 0 320.364 0.791 10 0 DCAERN NS(=O)(=O)c1cccc(-c2ccc(=O)[nH]c2)c1-c1nn[nH]n1 ZINC000584596501 337374238 /nfs/dbraw/zinc/37/42/38/337374238.db2.gz IKFVZDHIEIWFHK-UHFFFAOYSA-N 0 0 318.318 0.282 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C)C[C@H]1N1CCOCC1 ZINC000333001207 338570134 /nfs/dbraw/zinc/57/01/34/338570134.db2.gz UIFCDRHVUHBTPV-LXTVHRRPSA-N 0 0 311.426 0.916 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000172438109 341799043 /nfs/dbraw/zinc/79/90/43/341799043.db2.gz ILAWNCFMWGPZOW-NXEZZACHSA-N 0 0 309.391 0.638 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)Cn1nnnc1C(C)C ZINC000173299513 341814755 /nfs/dbraw/zinc/81/47/55/341814755.db2.gz CCLWATIGELPVRN-UHFFFAOYSA-N 0 0 305.386 0.506 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC000174001246 341822631 /nfs/dbraw/zinc/82/26/31/341822631.db2.gz RLZJAOYXXMARDH-SECBINFHSA-N 0 0 316.427 0.023 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H](O)C3CCOCC3)[C@@H]2C1 ZINC000576770000 341862585 /nfs/dbraw/zinc/86/25/85/341862585.db2.gz URHFQJQGLXYQIK-XUWVNRHRSA-N 0 0 324.421 0.537 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1nncn1C1CC1 ZINC000580590501 341882790 /nfs/dbraw/zinc/88/27/90/341882790.db2.gz DWKDTRPSNFSJNL-AWEZNQCLSA-N 0 0 303.322 0.164 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000178924498 341971736 /nfs/dbraw/zinc/97/17/36/341971736.db2.gz WKNIZIDAVNZEBX-VXGBXAGGSA-N 0 0 312.414 0.492 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(Br)ccc1N ZINC000133089750 1177527262 /nfs/dbraw/zinc/52/72/62/1177527262.db2.gz AVYAYSHXWQRGJL-UHFFFAOYSA-N 0 0 301.144 0.429 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)C[C@H](C)O1 ZINC000172213059 533965481 /nfs/dbraw/zinc/96/54/81/533965481.db2.gz XCSVWTJVNJMUKY-QWRGUYRKSA-N 0 0 300.384 0.262 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000187695597 534083269 /nfs/dbraw/zinc/08/32/69/534083269.db2.gz ODJGBVKECLFXQM-AWEZNQCLSA-N 0 0 321.421 0.310 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCC2CCN(S(C)(=O)=O)CC2)O1 ZINC000178185731 534131901 /nfs/dbraw/zinc/13/19/01/534131901.db2.gz JCUUXUPEQQZCHM-PWSUYJOCSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)c1csc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000132506320 518488314 /nfs/dbraw/zinc/48/83/14/518488314.db2.gz SXMXOOWBNJMTLE-LBPRGKRZSA-N 0 0 312.391 0.374 10 0 DCAERN Cn1nnnc1CN1CCC[C@H](CC(=O)N2CCCC2)CC1 ZINC000299745034 534368461 /nfs/dbraw/zinc/36/84/61/534368461.db2.gz QVKJIBDWSUSODU-ZDUSSCGKSA-N 0 0 306.414 0.825 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188188567 518988517 /nfs/dbraw/zinc/98/85/17/518988517.db2.gz PATXDTZLKPGQJV-JOCHJYFZSA-N 0 0 322.390 0.595 10 0 DCAERN CC(C)C(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000133678573 519450751 /nfs/dbraw/zinc/45/07/51/519450751.db2.gz RYOXFNFPXYKYDJ-UHFFFAOYSA-N 0 0 310.375 0.476 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)C1 ZINC000365072435 519486749 /nfs/dbraw/zinc/48/67/49/519486749.db2.gz WPOHNLOSSFYHOX-AWEZNQCLSA-N 0 0 321.377 0.887 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000190516931 519648784 /nfs/dbraw/zinc/64/87/84/519648784.db2.gz WHKZAJFZIJPRBM-UHFFFAOYSA-N 0 0 305.363 0.348 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 ZINC000188561907 519649618 /nfs/dbraw/zinc/64/96/18/519649618.db2.gz AWKDVMWRQKLRJV-UHFFFAOYSA-N 0 0 304.318 0.782 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000154059090 519800847 /nfs/dbraw/zinc/80/08/47/519800847.db2.gz XTPNSIZVJYOMIJ-ZDUSSCGKSA-N 0 0 311.357 0.872 10 0 DCAERN CCCNC(=O)CNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190462075 519880145 /nfs/dbraw/zinc/88/01/45/519880145.db2.gz NAAATZWXNBSKIN-UHFFFAOYSA-N 0 0 304.343 0.639 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190741847 519885091 /nfs/dbraw/zinc/88/50/91/519885091.db2.gz GMTSFZDUVKIOIJ-ZDUSSCGKSA-N 0 0 323.397 0.512 10 0 DCAERN CCOCCN1CCN(C(=O)C2(C(=O)NC)CC2)C[C@H]1CC ZINC000116771900 519911520 /nfs/dbraw/zinc/91/15/20/519911520.db2.gz UNAJHCZTFOUOPS-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN Cc1nc(NC(=O)CN2CCN(c3ccccn3)CC2)n(C)n1 ZINC000186911615 534462406 /nfs/dbraw/zinc/46/24/06/534462406.db2.gz CNUGHAUCDYQGIN-UHFFFAOYSA-N 0 0 315.381 0.279 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C12CCOCC2 ZINC000186460293 520545825 /nfs/dbraw/zinc/54/58/25/520545825.db2.gz AJQGDSVOQLDEFH-OLZOCXBDSA-N 0 0 321.377 0.818 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCC1(C)COC1)CC2 ZINC000163252875 520554420 /nfs/dbraw/zinc/55/44/20/520554420.db2.gz HYLBMMTXCTYLGO-OLZOCXBDSA-N 0 0 312.410 0.984 10 0 DCAERN CCOc1cc(C)nc(N2CCN(C[C@@H](O)COC)CC2)n1 ZINC000126672865 520690163 /nfs/dbraw/zinc/69/01/63/520690163.db2.gz FWFYBMCPBPSRJJ-CYBMUJFWSA-N 0 0 310.398 0.313 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245732158 520814018 /nfs/dbraw/zinc/81/40/18/520814018.db2.gz JOHQZJNPHJLELS-KFWWJZLASA-N 0 0 323.437 0.757 10 0 DCAERN CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000154701243 521187549 /nfs/dbraw/zinc/18/75/49/521187549.db2.gz UDICPIXIQSCLCQ-KCQAQPDRSA-N 0 0 305.378 0.878 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000113133629 521652401 /nfs/dbraw/zinc/65/24/01/521652401.db2.gz WCLVAAGMBMOUKX-JTQLQIEISA-N 0 0 310.379 0.591 10 0 DCAERN CCS(=O)(=O)c1cccc(CC(=O)N2CC(NC(C)=O)C2)c1 ZINC000190502343 521691950 /nfs/dbraw/zinc/69/19/50/521691950.db2.gz OICGUCOQZFIAOD-UHFFFAOYSA-N 0 0 324.402 0.370 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NCc2ccnn2C)c1 ZINC000127771112 522217427 /nfs/dbraw/zinc/21/74/27/522217427.db2.gz RPWQJAGMTODWER-UHFFFAOYSA-N 0 0 323.374 0.826 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)CO)c(C)o1 ZINC000132049220 522268928 /nfs/dbraw/zinc/26/89/28/522268928.db2.gz WFPRBUKNPYCAIN-SFYZADRCSA-N 0 0 304.368 0.243 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000151958915 522280663 /nfs/dbraw/zinc/28/06/63/522280663.db2.gz HZRVLSYQWGGBQO-UWVGGRQHSA-N 0 0 300.380 0.341 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CC2 ZINC000159255608 522523712 /nfs/dbraw/zinc/52/37/12/522523712.db2.gz YDVRMSAUFRXYES-JTQLQIEISA-N 0 0 316.365 0.285 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2cccc(C)c2)C1 ZINC000185307644 522757538 /nfs/dbraw/zinc/75/75/38/522757538.db2.gz IYNDLZNCSNMQQC-UHFFFAOYSA-N 0 0 305.378 0.694 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000189473674 522996062 /nfs/dbraw/zinc/99/60/62/522996062.db2.gz NZOGUTPPEALHQT-GFCCVEGCSA-N 0 0 324.356 0.074 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000158774056 523201855 /nfs/dbraw/zinc/20/18/55/523201855.db2.gz YMMCCUPSMAQEEX-AAEUAGOBSA-N 0 0 310.350 0.639 10 0 DCAERN COC(=O)Cn1cc(CCS(=O)(=O)c2cccc(C)c2)nn1 ZINC000158231725 523392779 /nfs/dbraw/zinc/39/27/79/523392779.db2.gz WAVNXXSSGOFFCC-UHFFFAOYSA-N 0 0 323.374 0.776 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCN(CCOC)[C@H](C)C2)cn1 ZINC000129826508 523402130 /nfs/dbraw/zinc/40/21/30/523402130.db2.gz YUVWQXFVPRNHHY-GFCCVEGCSA-N 0 0 323.397 0.021 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC(Cn2ccnn2)CC1)C(C)C ZINC000154661094 523456683 /nfs/dbraw/zinc/45/66/83/523456683.db2.gz LHJVUOLUSASQAP-CYBMUJFWSA-N 0 0 323.397 0.897 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC(F)(F)CN)[C@H]1c1cccnc1 ZINC000190227330 523705075 /nfs/dbraw/zinc/70/50/75/523705075.db2.gz HJWARYCDLBYXCP-CMPLNLGQSA-N 0 0 312.320 0.311 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@H](O)C2CC2)[C@H]1c1cccnc1 ZINC000268427830 523706034 /nfs/dbraw/zinc/70/60/34/523706034.db2.gz RMOCVXVOPTVBEF-GZBFAFLISA-N 0 0 303.362 0.488 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 ZINC000364561583 523715856 /nfs/dbraw/zinc/71/58/56/523715856.db2.gz DOZREMYZPQVNGS-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN CN1CC(=O)N(CC(=O)NCCCc2cccc(F)c2)C1=O ZINC000109298917 523740655 /nfs/dbraw/zinc/74/06/55/523740655.db2.gz STCLSLIRNJPOJF-UHFFFAOYSA-N 0 0 307.325 0.769 10 0 DCAERN CN(C(=O)CCNC(N)=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000131363002 523803765 /nfs/dbraw/zinc/80/37/65/523803765.db2.gz NHWITGBQESLYEU-LBPRGKRZSA-N 0 0 304.350 0.309 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)CCC(C)C)C[C@@H]1C ZINC000117295273 523841371 /nfs/dbraw/zinc/84/13/71/523841371.db2.gz GEKXJDPBLUDBGY-AWEZNQCLSA-N 0 0 313.442 0.718 10 0 DCAERN COCCN1CCN(C(=O)Nc2cn(C)c(=O)cc2C)C[C@@H]1C ZINC000162015298 523845907 /nfs/dbraw/zinc/84/59/07/523845907.db2.gz IXWORKNJFUTUPE-ZDUSSCGKSA-N 0 0 322.409 0.878 10 0 DCAERN CCc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000191683510 523886810 /nfs/dbraw/zinc/88/68/10/523886810.db2.gz MQZNWMJDPMCDNM-NSHDSACASA-N 0 0 312.391 0.718 10 0 DCAERN COc1ccc(CCNC(=O)N2CC(NC(C)=O)C2)cc1F ZINC000190046516 523962295 /nfs/dbraw/zinc/96/22/95/523962295.db2.gz BPPOBXVCCVNQFY-UHFFFAOYSA-N 0 0 309.341 0.907 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2F)CCC1=O ZINC000128611870 524011080 /nfs/dbraw/zinc/01/10/80/524011080.db2.gz ZNWORAWXTNDBCT-GXFFZTMASA-N 0 0 309.341 0.779 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H](O)c2cccc(F)c2)CCC1=O ZINC000128810364 524011106 /nfs/dbraw/zinc/01/11/06/524011106.db2.gz HDMAWYJFMCHGES-STQMWFEESA-N 0 0 309.341 0.779 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366052691 524016814 /nfs/dbraw/zinc/01/68/14/524016814.db2.gz TXQRJYDXHHEZFG-QNWHQSFQSA-N 0 0 318.439 0.730 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCC1=O ZINC000247072948 524023374 /nfs/dbraw/zinc/02/33/74/524023374.db2.gz QHOARHPLLGQQDS-WOSRLPQWSA-N 0 0 309.410 0.944 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)CCC1=O ZINC000128810528 524024280 /nfs/dbraw/zinc/02/42/80/524024280.db2.gz HDMAWYJFMCHGES-CHWSQXEVSA-N 0 0 309.341 0.779 10 0 DCAERN CN1N=C(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCC1=O ZINC000127799466 524028981 /nfs/dbraw/zinc/02/89/81/524028981.db2.gz CUGNSRFDUUIVPB-NSHDSACASA-N 0 0 304.354 0.125 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000364944257 524057719 /nfs/dbraw/zinc/05/77/19/524057719.db2.gz PXZTUFOMUCTVRP-ZDUSSCGKSA-N 0 0 306.366 0.316 10 0 DCAERN CNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190801416 524063053 /nfs/dbraw/zinc/06/30/53/524063053.db2.gz PAKHDXULSIFLSH-UHFFFAOYSA-N 0 0 318.370 0.981 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000193162372 524082188 /nfs/dbraw/zinc/08/21/88/524082188.db2.gz FVHDNVOHULBLKA-JTQLQIEISA-N 0 0 324.768 0.719 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)N(C)CC1(CO)CC1 ZINC000189111292 524347756 /nfs/dbraw/zinc/34/77/56/524347756.db2.gz UGZYQYAGIYAZOT-UHFFFAOYSA-N 0 0 306.362 0.656 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)N1CCOCC1 ZINC000188465218 524437937 /nfs/dbraw/zinc/43/79/37/524437937.db2.gz FFSQIQDIIBURPR-DOMZBBRYSA-N 0 0 318.377 0.412 10 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UOIHNBLDCRZRGO-VHSXEESVSA-N 0 0 305.425 0.895 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(C)c1 ZINC000187932356 525018343 /nfs/dbraw/zinc/01/83/43/525018343.db2.gz LZPJHXCQYJTZJO-UHFFFAOYSA-N 0 0 324.402 0.903 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000190080232 525038031 /nfs/dbraw/zinc/03/80/31/525038031.db2.gz FWEVHYWEYIVRAS-YPMHNXCESA-N 0 0 312.391 0.481 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000190055619 525050289 /nfs/dbraw/zinc/05/02/89/525050289.db2.gz PXKMPXGMAIRIGU-ZWNOBZJWSA-N 0 0 312.391 0.425 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2C)n(-c2ccc(C)nn2)n1 ZINC000187924219 525113066 /nfs/dbraw/zinc/11/30/66/525113066.db2.gz IJLWXLGWSYDREK-KCJUWKMLSA-N 0 0 314.349 0.742 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000364781749 525118464 /nfs/dbraw/zinc/11/84/64/525118464.db2.gz HALCJTFYKFOZGN-OLZOCXBDSA-N 0 0 307.398 0.819 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000116892065 525211568 /nfs/dbraw/zinc/21/15/68/525211568.db2.gz QDOBCZGJFGIWBJ-GFCCVEGCSA-N 0 0 321.406 0.391 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c(C)o1 ZINC000368734799 525397116 /nfs/dbraw/zinc/39/71/16/525397116.db2.gz XYLAZHCLEOHJME-LBPRGKRZSA-N 0 0 300.380 0.602 10 0 DCAERN Cc1c(C(=O)NC[C@H](O)CN2CCOCC2)cnn1CC(C)C ZINC000161610334 525623650 /nfs/dbraw/zinc/62/36/50/525623650.db2.gz GNTZLUGOAFWCQN-AWEZNQCLSA-N 0 0 324.425 0.270 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000156307950 525638593 /nfs/dbraw/zinc/63/85/93/525638593.db2.gz XMAXHVYOWZDXIO-PHIMTYICSA-N 0 0 312.391 0.892 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000190002168 525705695 /nfs/dbraw/zinc/70/56/95/525705695.db2.gz SBXBIIYCONCFKK-VIFPVBQESA-N 0 0 304.350 0.845 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)NCCOCC(N)=O ZINC000129137121 525784504 /nfs/dbraw/zinc/78/45/04/525784504.db2.gz LMXWDKIBQAEFAB-UHFFFAOYSA-N 0 0 306.771 0.429 10 0 DCAERN Cc1cnn(CCNC(=O)c2cc(N3CCOCC3)ccn2)c1 ZINC000131128134 526263292 /nfs/dbraw/zinc/26/32/92/526263292.db2.gz NDKYMXUGWHKKMA-UHFFFAOYSA-N 0 0 315.377 0.853 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000177540943 526297835 /nfs/dbraw/zinc/29/78/35/526297835.db2.gz UOYBSKCIKSUWDQ-SDDRHHMPSA-N 0 0 324.425 0.729 10 0 DCAERN O=C(NCCN1CCOCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000154822951 526317186 /nfs/dbraw/zinc/31/71/86/526317186.db2.gz BNXFHVFLDSEZRF-UHFFFAOYSA-N 0 0 307.398 0.631 10 0 DCAERN O=C(CCCCc1c[nH]nn1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000157931228 526426548 /nfs/dbraw/zinc/42/65/48/526426548.db2.gz UAHLYIAAADLCJF-CQSZACIVSA-N 0 0 307.398 0.497 10 0 DCAERN O=C(NC[C@@H]1CC[C@H](O)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000190158485 526547323 /nfs/dbraw/zinc/54/73/23/526547323.db2.gz VVJFGVUIHFQIQI-RDBSUJKOSA-N 0 0 319.409 0.906 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC000190717567 526609389 /nfs/dbraw/zinc/60/93/89/526609389.db2.gz GQMAHTBDSDWXOC-LBPRGKRZSA-N 0 0 301.306 0.625 10 0 DCAERN CC(=O)N1CCN(Cc2ccccc2N[C@@H]2CCNC2=O)CC1 ZINC000187536523 526631601 /nfs/dbraw/zinc/63/16/01/526631601.db2.gz NFARGDGIKUVQMY-MRXNPFEDSA-N 0 0 316.405 0.651 10 0 DCAERN CC(=O)N1CCN(Cc2ccccc2N[C@H]2CCNC2=O)CC1 ZINC000187536542 526632498 /nfs/dbraw/zinc/63/24/98/526632498.db2.gz NFARGDGIKUVQMY-INIZCTEOSA-N 0 0 316.405 0.651 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1(C)OCCCO1 ZINC000191133786 526792885 /nfs/dbraw/zinc/79/28/85/526792885.db2.gz WLJBVYUERUJSEE-UHFFFAOYSA-N 0 0 321.333 0.718 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000269210673 526827350 /nfs/dbraw/zinc/82/73/50/526827350.db2.gz WAJAQOUCNYVWAT-CHWSQXEVSA-N 0 0 322.361 0.494 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000173042965 526901316 /nfs/dbraw/zinc/90/13/16/526901316.db2.gz PKXTWFBBOCIUIV-ZDUSSCGKSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1nc(NC(=O)[C@@H]2CCC[C@H]2C(=O)Nc2n[nH]c(C)n2)n[nH]1 ZINC000163620470 526987674 /nfs/dbraw/zinc/98/76/74/526987674.db2.gz SIFFUMRKFUOBHO-RKDXNWHRSA-N 0 0 318.341 0.533 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nc1 ZINC000121024546 527038988 /nfs/dbraw/zinc/03/89/88/527038988.db2.gz NQLOGQBUSWCTLD-MLGOLLRUSA-N 0 0 303.362 0.948 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F ZINC000157868402 527087801 /nfs/dbraw/zinc/08/78/01/527087801.db2.gz MOIHAMILZQPHTM-FZMZJTMJSA-N 0 0 312.272 0.709 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1nnnn1CC(F)(F)F ZINC000191450941 527109581 /nfs/dbraw/zinc/10/95/81/527109581.db2.gz XQSRKPQAVKXORV-HTQZYQBOSA-N 0 0 315.255 0.687 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000156318186 527139132 /nfs/dbraw/zinc/13/91/32/527139132.db2.gz VGXUXGNOJPVXAN-AXFHLTTASA-N 0 0 307.737 0.910 10 0 DCAERN O=S(=O)(Cc1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000191086663 527197362 /nfs/dbraw/zinc/19/73/62/527197362.db2.gz YWIAOYZCKPONCI-WDEREUQCSA-N 0 0 324.807 0.413 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000163566174 527218091 /nfs/dbraw/zinc/21/80/91/527218091.db2.gz CAOBUOLRGLULFU-LLVKDONJSA-N 0 0 321.230 0.685 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N[C@H]3CCSC3)CCC(=O)N2C)cn1 ZINC000266527744 527324711 /nfs/dbraw/zinc/32/47/11/527324711.db2.gz XUSUROQLSSMWQN-OBJOEFQTSA-N 0 0 322.434 0.951 10 0 DCAERN O=C(Cc1coc(-c2cccs2)n1)N[C@@H]1CCC(=O)NC1=O ZINC000153410974 527331331 /nfs/dbraw/zinc/33/13/31/527331331.db2.gz JOUHTXVRJLEVJM-SECBINFHSA-N 0 0 319.342 0.867 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000190142727 527366073 /nfs/dbraw/zinc/36/60/73/527366073.db2.gz NLGSJSAAYKXHCU-NSHDSACASA-N 0 0 302.338 0.836 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C[C@@H](O)CN1CCCC1=O ZINC000249265441 527407292 /nfs/dbraw/zinc/40/72/92/527407292.db2.gz ISDKCXHZZAEJBO-HIFRSBDPSA-N 0 0 307.394 0.382 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188699144 528000505 /nfs/dbraw/zinc/00/05/05/528000505.db2.gz WZVAGHCAZYXTBE-CQSZACIVSA-N 0 0 313.442 0.550 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000178136141 528048969 /nfs/dbraw/zinc/04/89/69/528048969.db2.gz HRXDXUGIYIQLIW-GFCCVEGCSA-N 0 0 323.437 0.866 10 0 DCAERN CC(C)CNC(=O)[C@@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000176566050 528054307 /nfs/dbraw/zinc/05/43/07/528054307.db2.gz BBRNBXFQRWZSOC-CFMSYZGJSA-N 0 0 301.416 0.663 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188236321 528128420 /nfs/dbraw/zinc/12/84/20/528128420.db2.gz NANPGJSABQQFQX-UHFFFAOYSA-N 0 0 307.379 0.883 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCCN(c2cccnn2)CC1 ZINC000151387996 528211674 /nfs/dbraw/zinc/21/16/74/528211674.db2.gz BCPFZHDNIHXBLK-UHFFFAOYSA-N 0 0 313.427 0.575 10 0 DCAERN CC(C)Oc1cncc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000178271894 528273514 /nfs/dbraw/zinc/27/35/14/528273514.db2.gz FVICOTVOEVSXRJ-UHFFFAOYSA-N 0 0 318.333 0.519 10 0 DCAERN CC(C)c1noc(NCCCN2CCS(=O)(=O)CC2)n1 ZINC000302027386 528506230 /nfs/dbraw/zinc/50/62/30/528506230.db2.gz QTVBAFKLEFQCJR-UHFFFAOYSA-N 0 0 302.400 0.725 10 0 DCAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176572817 528550070 /nfs/dbraw/zinc/55/00/70/528550070.db2.gz JZNBSYIMLXPKGC-FQEVSTJZSA-N 0 0 301.416 0.808 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000178898134 528891126 /nfs/dbraw/zinc/89/11/26/528891126.db2.gz NZODSWSGPWKMRH-NSHDSACASA-N 0 0 309.370 0.118 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)NS(C)(=O)=O)CC[S@]1=O ZINC000186784899 529071665 /nfs/dbraw/zinc/07/16/65/529071665.db2.gz HWSSFHVDGLDTSH-OVWNDWIMSA-N 0 0 324.468 0.074 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186923413 529131544 /nfs/dbraw/zinc/13/15/44/529131544.db2.gz VIXPAMAQZAKZHX-UHFFFAOYSA-N 0 0 324.425 0.017 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155442874 529269287 /nfs/dbraw/zinc/26/92/87/529269287.db2.gz ZRFMJCISRVUSPR-CHWSQXEVSA-N 0 0 302.440 0.896 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCN1CCOC ZINC000184998539 529299925 /nfs/dbraw/zinc/29/99/25/529299925.db2.gz MVXHOXXBOABIOH-KBPBESRZSA-N 0 0 319.471 0.758 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCC(C)(F)F ZINC000454866587 535431570 /nfs/dbraw/zinc/43/15/70/535431570.db2.gz CCZOGHWCWVHWFQ-DTWKUNHWSA-N 0 0 323.340 0.787 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)C(C)(C)O)C1 ZINC000454686520 535791731 /nfs/dbraw/zinc/79/17/31/535791731.db2.gz UEVVDMXEHJPKIS-LLVKDONJSA-N 0 0 314.430 0.887 10 0 DCAERN CN(Cc1ccc(Br)o1)C(=O)[C@@H](N)CC(N)=O ZINC000037819875 545647339 /nfs/dbraw/zinc/64/73/39/545647339.db2.gz XKAPICCMDIWRBY-ZETCQYMHSA-N 0 0 304.144 0.203 10 0 DCAERN O=C([O-])[C@@H](Cn1cc(I)cn1)[NH2+]C1CC1 ZINC000070678604 545661592 /nfs/dbraw/zinc/66/15/92/545661592.db2.gz JCDMLVDQDDWINX-MRVPVSSYSA-N 0 0 321.118 0.693 10 0 DCAERN COc1ccc(S(=O)(=O)N(C)C[C@@H]2CN(C)CCO2)cc1 ZINC000074774924 545670671 /nfs/dbraw/zinc/67/06/71/545670671.db2.gz LBMGGZUJXJSEHB-ZDUSSCGKSA-N 0 0 314.407 0.646 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000074775050 545671589 /nfs/dbraw/zinc/67/15/89/545671589.db2.gz QJOAHQZFFDJJJE-CQSZACIVSA-N 0 0 316.398 0.918 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCn4ncnc43)cnc12 ZINC000091068862 545718550 /nfs/dbraw/zinc/71/85/50/545718550.db2.gz PQQODYILTWBNTE-LBPRGKRZSA-N 0 0 324.344 0.859 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CCN(C4CC4)CC3)cc12 ZINC000102659800 545731271 /nfs/dbraw/zinc/73/12/71/545731271.db2.gz HYWJJDDPVLMWHH-UHFFFAOYSA-N 0 0 322.390 1.000 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCN(Cc2ccncc2)CC1 ZINC000117745911 545737009 /nfs/dbraw/zinc/73/70/09/545737009.db2.gz RGRZOJYSJLTGKZ-MRXNPFEDSA-N 0 0 319.405 0.779 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC000121444580 545747335 /nfs/dbraw/zinc/74/73/35/545747335.db2.gz CFGOBTJUWLPBIA-GFCCVEGCSA-N 0 0 301.346 0.707 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000124019134 545756542 /nfs/dbraw/zinc/75/65/42/545756542.db2.gz NZFXEFWRIFTNCY-JSGCOSHPSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000126847744 545773146 /nfs/dbraw/zinc/77/31/46/545773146.db2.gz NPGIZXYRXFSFSB-ZANVPECISA-N 0 0 310.375 0.520 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccn(-c2cccc(F)c2)n1 ZINC000152154656 545821084 /nfs/dbraw/zinc/82/10/84/545821084.db2.gz PRZSXHZKRRBUNP-LLVKDONJSA-N 0 0 316.292 0.546 10 0 DCAERN C[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC000153380420 545831044 /nfs/dbraw/zinc/83/10/44/545831044.db2.gz HOHKNDHPDBTYHS-QWRGUYRKSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CO)CCCCC2)C[C@@H](C)O1 ZINC000157664212 545852825 /nfs/dbraw/zinc/85/28/25/545852825.db2.gz XOGRSXUPDLECBF-CHWSQXEVSA-N 0 0 320.455 0.873 10 0 DCAERN C[C@@H](NC(=O)COc1ccccc1-c1nc[nH]n1)C(=O)N(C)C ZINC000165407021 545875833 /nfs/dbraw/zinc/87/58/33/545875833.db2.gz JNTLJKOXQJKMJB-SNVBAGLBSA-N 0 0 317.349 0.443 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NCC(=O)N2CCOCC2)c1 ZINC000181064105 545902536 /nfs/dbraw/zinc/90/25/36/545902536.db2.gz BIWXBRGKFDAXTB-GJZGRUSLSA-N 0 0 318.373 0.774 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCC2(CO)CCC2)cc1 ZINC000182271272 545905016 /nfs/dbraw/zinc/90/50/16/545905016.db2.gz NFUSLDGYLQIAGE-UHFFFAOYSA-N 0 0 306.362 0.704 10 0 DCAERN O=C1NC[C@@H]2CN(Cc3cccc4cnccc43)CCN2C1=O ZINC000183404380 545908413 /nfs/dbraw/zinc/90/84/13/545908413.db2.gz PROUWBWOFBODEB-CQSZACIVSA-N 0 0 310.357 0.377 10 0 DCAERN COCCC1(C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000183818368 545910028 /nfs/dbraw/zinc/91/00/28/545910028.db2.gz NESLAKBGPXKBMJ-UHFFFAOYSA-N 0 0 320.393 0.951 10 0 DCAERN COc1cc(N2CCN(CC(=O)NCC3CC3)CC2)ncn1 ZINC000184088616 545911034 /nfs/dbraw/zinc/91/10/34/545911034.db2.gz HAWCPRDEMYISDP-UHFFFAOYSA-N 0 0 305.382 0.133 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000185080313 545912066 /nfs/dbraw/zinc/91/20/66/545912066.db2.gz YCKFHTYHAAJOMT-CYBMUJFWSA-N 0 0 316.365 0.064 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CC[C@@H]2CCCO2)C1)C1CC1 ZINC000187923912 545917264 /nfs/dbraw/zinc/91/72/64/545917264.db2.gz RWXIPBDXXDARTB-LBPRGKRZSA-N 0 0 302.396 0.096 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189194797 545920080 /nfs/dbraw/zinc/92/00/80/545920080.db2.gz RGAFGLBRJUSCRJ-ZMLRMANQSA-N 0 0 303.384 0.204 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000189912128 545923099 /nfs/dbraw/zinc/92/30/99/545923099.db2.gz YQNJWOJFQWNZRT-FYNNLBNCSA-N 0 0 314.385 0.813 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)c2ccn(C)c2C)cn1 ZINC000195280375 545933973 /nfs/dbraw/zinc/93/39/73/545933973.db2.gz FNXPMFYHVGRWGI-UHFFFAOYSA-N 0 0 319.365 0.545 10 0 DCAERN C[C@@H](CO)[C@@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)nc2ncnn21 ZINC000248668022 545969604 /nfs/dbraw/zinc/96/96/04/545969604.db2.gz QITUGGYKPCSVEI-NOOOWODRSA-N 0 0 322.413 0.982 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000305429412 546020324 /nfs/dbraw/zinc/02/03/24/546020324.db2.gz DETHTSQCGAWPSF-BDAKNGLRSA-N 0 0 318.377 0.886 10 0 DCAERN CC(=O)N1CCCc2cc(S(=O)(=O)NC3(CO)CC3)ccc21 ZINC000317272289 546028798 /nfs/dbraw/zinc/02/87/98/546028798.db2.gz BZZBHLQQGUQHJF-UHFFFAOYSA-N 0 0 324.402 0.789 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@H]2CCO[C@@H]2C)C1 ZINC000332783676 546060494 /nfs/dbraw/zinc/06/04/94/546060494.db2.gz LKZNTYJNUJGQJE-WYUUTHIRSA-N 0 0 309.370 0.464 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N[C@@H](C)[C@H]2CCCO2)C1 ZINC000332794677 546061544 /nfs/dbraw/zinc/06/15/44/546061544.db2.gz QKBAWPDRLNDNMF-QNWHQSFQSA-N 0 0 323.397 0.854 10 0 DCAERN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000332966705 546067714 /nfs/dbraw/zinc/06/77/14/546067714.db2.gz UZZMMVZNODUWFF-QPSCCSFWSA-N 0 0 321.421 0.509 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333131651 546072750 /nfs/dbraw/zinc/07/27/50/546072750.db2.gz WWJMGCWBVRPGNJ-ZWUHOBOKSA-N 0 0 309.410 0.990 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000401906630 546226450 /nfs/dbraw/zinc/22/64/50/546226450.db2.gz UDXWMOYLFAKPNV-CHWSQXEVSA-N 0 0 306.428 0.579 10 0 DCAERN CO[C@@]1(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CCOC1 ZINC000530453567 546288470 /nfs/dbraw/zinc/28/84/70/546288470.db2.gz XWVIKKDHZBPWQH-AWEZNQCLSA-N 0 0 303.322 0.535 10 0 DCAERN CN1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC000534995463 546290826 /nfs/dbraw/zinc/29/08/26/546290826.db2.gz SIRKVVATNLWTAI-JSGCOSHPSA-N 0 0 317.393 0.625 10 0 DCAERN Cc1ccc([C@@H]2CCCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)o1 ZINC000668837113 546856901 /nfs/dbraw/zinc/85/69/01/546856901.db2.gz MMFWTFARRCAVRK-KYEXWDHISA-N 0 0 307.346 0.664 10 0 DCAERN O=S(=O)(c1ccccc1)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671431047 547210079 /nfs/dbraw/zinc/21/00/79/547210079.db2.gz CCRCIZPNSGPPQP-ZDUSSCGKSA-N 0 0 308.363 0.104 10 0 DCAERN [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000034051975 571749647 /nfs/dbraw/zinc/74/96/47/571749647.db2.gz OHUXOEXBXPZKPT-STQMWFEESA-N 0 0 302.334 0.092 10 0 endogenous,in-man DCAERN C[C@H]1CN(S(=O)(=O)c2cccnc2F)CCS1(=O)=O ZINC000707406558 667438724 /nfs/dbraw/zinc/43/87/24/667438724.db2.gz CAOGWQXJIQCXRR-QMMMGPOBSA-N 0 0 308.356 0.028 10 0 DCAERN COC(=O)c1nc(C(=O)N2CCSC[C@H]2CCO)cs1 ZINC000721386954 660727954 /nfs/dbraw/zinc/72/79/54/660727954.db2.gz ZUCPJSWKLYWTBV-MRVPVSSYSA-N 0 0 316.404 0.870 10 0 DCAERN COCCOC1CN(C(=O)c2csc(C(=O)OC)n2)C1 ZINC000721388365 660817845 /nfs/dbraw/zinc/81/78/45/660817845.db2.gz KRODFTZBRLCCQG-UHFFFAOYSA-N 0 0 300.336 0.417 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000178516568 661012085 /nfs/dbraw/zinc/01/20/85/661012085.db2.gz ZJEGZDJFRAKDPM-OLZOCXBDSA-N 0 0 312.410 0.897 10 0 DCAERN Cn1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)ccc1=O ZINC000125936756 661099718 /nfs/dbraw/zinc/09/97/18/661099718.db2.gz HYDIVYWQEPHWPE-UHFFFAOYSA-N 0 0 309.329 0.896 10 0 DCAERN O=C(NCCC1CC(F)(F)C1)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093652 661158814 /nfs/dbraw/zinc/15/88/14/661158814.db2.gz MWUWFFVSWBWJON-GHMZBOCLSA-N 0 0 316.308 0.376 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000310194327 661160782 /nfs/dbraw/zinc/16/07/82/661160782.db2.gz ZHKQKEXBRPICNS-BQBZGAKWSA-N 0 0 303.160 0.468 10 0 DCAERN CN(C)c1nc([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000888095369 661166183 /nfs/dbraw/zinc/16/61/83/661166183.db2.gz YZESPMGQMNYJJS-JTQLQIEISA-N 0 0 316.365 0.530 10 0 DCAERN Cn1cnn(CC(=O)Nc2ccccc2C(=O)NC2CC2)c1=O ZINC000180187266 665424937 /nfs/dbraw/zinc/42/49/37/665424937.db2.gz JWLQABSPJCINAG-UHFFFAOYSA-N 0 0 315.333 0.113 10 0 DCAERN CC(C)CO[C@@H]1C[C@@H](OC(=O)Cn2ncn(C)c2=O)C1(C)C ZINC000180368671 665436606 /nfs/dbraw/zinc/43/66/06/665436606.db2.gz STKVLRRYWBWVLD-VXGBXAGGSA-N 0 0 311.382 0.965 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(=O)n(C)n1 ZINC000891637918 657567673 /nfs/dbraw/zinc/56/76/73/657567673.db2.gz FNBYJTMDWUYHMS-ZWNOBZJWSA-N 0 0 317.349 0.713 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)C1(c2ccc3c(c2)OCO3)CC1 ZINC000240804604 657578464 /nfs/dbraw/zinc/57/84/64/657578464.db2.gz BBKQTBJLZPWFHX-LLVKDONJSA-N 0 0 323.370 0.750 10 0 DCAERN CN1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046386 657918280 /nfs/dbraw/zinc/91/82/80/657918280.db2.gz CKERKODTGWSQJP-RKDXNWHRSA-N 0 0 306.275 0.543 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CCOC[C@H]1CO ZINC000168673551 657963716 /nfs/dbraw/zinc/96/37/16/657963716.db2.gz CCIXDDAGQFADMG-LLVKDONJSA-N 0 0 301.364 0.385 10 0 DCAERN CCCCOCCCNC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725016233 658020419 /nfs/dbraw/zinc/02/04/19/658020419.db2.gz CZXYYKINIPIZMK-LBPRGKRZSA-N 0 0 306.428 0.086 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)Nc1nc2c(s1)CCC2 ZINC000725024575 658028614 /nfs/dbraw/zinc/02/86/14/658028614.db2.gz SUUOULKRRYBBGK-MRVPVSSYSA-N 0 0 315.420 0.347 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@H](CCO)C1CCCC1 ZINC000725036006 658042008 /nfs/dbraw/zinc/04/20/08/658042008.db2.gz BQLSSZGCNDSPBA-CYBMUJFWSA-N 0 0 309.428 0.508 10 0 DCAERN COC[C@H](C)OC[C@H](O)CN1CC(OC)(C(F)(F)F)C1 ZINC000724205510 658054228 /nfs/dbraw/zinc/05/42/28/658054228.db2.gz QTFZJSGRDNMTHK-VHSXEESVSA-N 0 0 301.305 0.662 10 0 DCAERN Cc1csc(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1CO ZINC000725117837 658149802 /nfs/dbraw/zinc/14/98/02/658149802.db2.gz KRRYVVPTQRNKBI-LLVKDONJSA-N 0 0 304.437 0.662 10 0 DCAERN CN(C)C(=O)C1(NC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000722656748 658225625 /nfs/dbraw/zinc/22/56/25/658225625.db2.gz NUWNFZPYCIUVBE-JTQLQIEISA-N 0 0 311.382 0.733 10 0 DCAERN O=C(NCc1cscn1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000050406817 658243602 /nfs/dbraw/zinc/24/36/02/658243602.db2.gz SLQGNBOVINJLLB-UHFFFAOYSA-N 0 0 324.387 0.257 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N[C@@H]1Cc2cncn2C1 ZINC000722678874 658278126 /nfs/dbraw/zinc/27/81/26/658278126.db2.gz GUKSTFAXWSILBS-PWSUYJOCSA-N 0 0 306.366 0.933 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000158387416 658453163 /nfs/dbraw/zinc/45/31/63/658453163.db2.gz OYFJFKKZURBXBL-CYBMUJFWSA-N 0 0 323.397 0.021 10 0 DCAERN CC(C)n1nnnc1CN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000175798469 658690507 /nfs/dbraw/zinc/69/05/07/658690507.db2.gz AFSVNVYLHJKODK-LLVKDONJSA-N 0 0 309.443 0.863 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1C ZINC000190605342 659284960 /nfs/dbraw/zinc/28/49/60/659284960.db2.gz UZTDQORAKOVMLH-GJZGRUSLSA-N 0 0 322.430 0.936 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@@H](C)c2nnnn2C2CC2)c1 ZINC000191634295 659397284 /nfs/dbraw/zinc/39/72/84/659397284.db2.gz DLLIKIJVNWSMJG-ZETCQYMHSA-N 0 0 305.294 0.879 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(C)C ZINC000192546249 659418540 /nfs/dbraw/zinc/41/85/40/659418540.db2.gz WPKVOAZZJIMSQO-JQWIXIFHSA-N 0 0 320.397 0.450 10 0 DCAERN CCc1ccccc1OC(=O)CN1CCN(CC)C(=O)C1=O ZINC000069835238 665690114 /nfs/dbraw/zinc/69/01/14/665690114.db2.gz CXUHWNNEPUYDSE-UHFFFAOYSA-N 0 0 304.346 0.845 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@H](CC(C)C)C2=O)C1 ZINC000124084187 659639101 /nfs/dbraw/zinc/63/91/01/659639101.db2.gz WFAULXVAKQUFSJ-QWHCGFSZSA-N 0 0 310.398 0.511 10 0 DCAERN CCc1nnc2n1CCN(C(=O)[C@@H]1CSCN1C(C)=O)C2 ZINC000069952188 665713494 /nfs/dbraw/zinc/71/34/94/665713494.db2.gz JVKNVESKEVVETK-JTQLQIEISA-N 0 0 309.395 0.104 10 0 DCAERN Cn1cc(-c2ncc(C(=O)OCCn3cncn3)s2)cn1 ZINC000070009891 665726233 /nfs/dbraw/zinc/72/62/33/665726233.db2.gz RDSVVNVWHYFLHJ-UHFFFAOYSA-N 0 0 304.335 0.992 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(CC2OCCO2)CC1 ZINC000182225907 665758626 /nfs/dbraw/zinc/75/86/26/665758626.db2.gz UCMPHNVNFHEDLS-CYBMUJFWSA-N 0 0 311.426 0.424 10 0 DCAERN C[C@H](O)c1cccc(N2CCC[C@](O)(Cn3ccnn3)C2)n1 ZINC000893760347 661405430 /nfs/dbraw/zinc/40/54/30/661405430.db2.gz VKSPNOUAVAAQDR-SWLSCSKDSA-N 0 0 303.366 0.758 10 0 DCAERN Cc1ccccc1-c1noc(C[C@@H]2CS(=O)(=O)CCN2)n1 ZINC000126121048 661445726 /nfs/dbraw/zinc/44/57/26/661445726.db2.gz PAMXCUQBSUBCQS-LLVKDONJSA-N 0 0 307.375 0.974 10 0 DCAERN CN1C(=O)CN(CN2CCC(Nc3cccnn3)CC2)C1=O ZINC000182284150 665771410 /nfs/dbraw/zinc/77/14/10/665771410.db2.gz FAZPDFCCNREQQZ-UHFFFAOYSA-N 0 0 304.354 0.204 10 0 DCAERN O=C(OCc1ccc2c(c1)OCCO2)C1CC(=O)NC(=O)C1 ZINC000726818054 661674741 /nfs/dbraw/zinc/67/47/41/661674741.db2.gz LLBYOHYYTRSYMY-UHFFFAOYSA-N 0 0 305.286 0.554 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@H](C2OCCO2)C1 ZINC000182476721 665827024 /nfs/dbraw/zinc/82/70/24/665827024.db2.gz ZNWMNAOXEHTOKP-LBPRGKRZSA-N 0 0 309.370 0.463 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNc1ncnc2sccc21 ZINC000721810701 662102957 /nfs/dbraw/zinc/10/29/57/662102957.db2.gz AIIUITSXKGOEDT-VIFPVBQESA-N 0 0 312.420 0.880 10 0 DCAERN COc1ccc(-n2cc(C(=O)NCCCO)ccc2=O)cc1 ZINC000223316013 662110779 /nfs/dbraw/zinc/11/07/79/662110779.db2.gz MYDWVKCZEFTRGO-UHFFFAOYSA-N 0 0 302.330 0.958 10 0 DCAERN Cc1cnc(CNC(=S)NCCN2CCOCC2)c(C)c1 ZINC000243696282 665851868 /nfs/dbraw/zinc/85/18/68/665851868.db2.gz PJYVDNSEYMUEMV-UHFFFAOYSA-N 0 0 308.451 0.995 10 0 DCAERN CCOC(=O)N1CCN(C(=O)c2nn3c(c2C)OCC3)CC1 ZINC000223833619 662527858 /nfs/dbraw/zinc/52/78/58/662527858.db2.gz PTKRGHGAQBBJIA-UHFFFAOYSA-N 0 0 308.338 0.498 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000170271042 662654681 /nfs/dbraw/zinc/65/46/81/662654681.db2.gz AEARTKHTVPEZHB-HNNXBMFYSA-N 0 0 324.402 0.986 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000250746510 662660190 /nfs/dbraw/zinc/66/01/90/662660190.db2.gz RAOUKEWHCKUEMK-QJPTWQEYSA-N 0 0 304.412 0.342 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@H](C)[C@H](C)O)c1 ZINC000344896177 663080034 /nfs/dbraw/zinc/08/00/34/663080034.db2.gz GFDFKFCZRVIVRD-ZJUUUORDSA-N 0 0 301.364 0.662 10 0 DCAERN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C[C@H](C)O2)C1 ZINC000898558165 663095591 /nfs/dbraw/zinc/09/55/91/663095591.db2.gz XGAHAAJEALIYBP-QNWHQSFQSA-N 0 0 316.373 0.455 10 0 DCAERN CN1C[C@H](C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074823 663123045 /nfs/dbraw/zinc/12/30/45/663123045.db2.gz NDEQJQLYBYBFQM-VXGBXAGGSA-N 0 0 303.366 0.407 10 0 DCAERN COC(=O)[C@@H]1CSCN1C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000907882042 663722178 /nfs/dbraw/zinc/72/21/78/663722178.db2.gz QFBHIGJGTHEBEE-NEPJUHHUSA-N 0 0 320.370 0.936 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCCNC(=O)[C@H]1CC(C)C ZINC000908409819 663754253 /nfs/dbraw/zinc/75/42/53/663754253.db2.gz TYOAMLMXXFRNQY-CYBMUJFWSA-N 0 0 309.410 0.784 10 0 DCAERN COc1ccc(OCC(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)cc1 ZINC000909147564 663783396 /nfs/dbraw/zinc/78/33/96/663783396.db2.gz GWVWPLRZLPNSPP-IJEWVQPXSA-N 0 0 317.345 0.761 10 0 DCAERN COc1cccc(CC(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c1 ZINC000909148198 663783538 /nfs/dbraw/zinc/78/35/38/663783538.db2.gz JFHOQEWYEMCYPZ-FMKPAKJESA-N 0 0 301.346 0.925 10 0 DCAERN Cc1nn(CC(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c(C)c1Cl ZINC000909161126 663784737 /nfs/dbraw/zinc/78/47/37/663784737.db2.gz CNDYQMACFCXQTH-JTNHKYCSSA-N 0 0 323.784 0.841 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)c1ccc(NC2CC2)nc1 ZINC000909167074 663785329 /nfs/dbraw/zinc/78/53/29/663785329.db2.gz REABDNBBZLLHOG-NFAWXSAZSA-N 0 0 313.361 0.957 10 0 DCAERN CCOC1(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)CCOCC1 ZINC000909190836 663786019 /nfs/dbraw/zinc/78/60/19/663786019.db2.gz PYBMPRQOJNYULX-FRRDWIJNSA-N 0 0 309.366 0.259 10 0 DCAERN O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909194372 663786483 /nfs/dbraw/zinc/78/64/83/663786483.db2.gz BJBSRJSKJHHTRY-XPKDYRNWSA-N 0 0 315.377 0.449 10 0 DCAERN Cc1ccnc(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)n1 ZINC000910998961 663961947 /nfs/dbraw/zinc/96/19/47/663961947.db2.gz XEMGJRXMGNEYTJ-TZMCWYRMSA-N 0 0 301.350 0.703 10 0 DCAERN CCO[C@]1(C(=O)NCc2nnc3ccc(C)cn32)CCOC1 ZINC000911074666 663979407 /nfs/dbraw/zinc/97/94/07/663979407.db2.gz HTNDXHLNROIYJI-OAHLLOKOSA-N 0 0 304.350 0.850 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3CO)CC2=O)cc1 ZINC000912428072 664175379 /nfs/dbraw/zinc/17/53/79/664175379.db2.gz SGAZWUCHKVGHBP-HIFRSBDPSA-N 0 0 318.373 0.568 10 0 DCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)OCC(N)=O)CC2 ZINC000151311276 664308525 /nfs/dbraw/zinc/30/85/25/664308525.db2.gz PABADELTUTTWFF-ZETCQYMHSA-N 0 0 317.267 0.937 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CC(c2ccccn2)C1 ZINC000913382608 664308952 /nfs/dbraw/zinc/30/89/52/664308952.db2.gz MTVKRIFDGJXMCZ-AWEZNQCLSA-N 0 0 303.362 0.381 10 0 DCAERN CC(=O)OC1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000156887198 664394711 /nfs/dbraw/zinc/39/47/11/664394711.db2.gz OFDCUHGLBDTCBF-KBPBESRZSA-N 0 0 306.362 0.923 10 0 DCAERN CCc1nc(CNC(=O)Cc2ncn(C)c(=O)c2C)cs1 ZINC000222943704 664395414 /nfs/dbraw/zinc/39/54/14/664395414.db2.gz UODHUGKHZYSOMM-UHFFFAOYSA-N 0 0 306.391 0.967 10 0 DCAERN CCc1nnc(NC(=O)CCC(=O)NCC2(CO)CC2)s1 ZINC000223221782 664404556 /nfs/dbraw/zinc/40/45/56/664404556.db2.gz SZOBCFLJSOKWRB-UHFFFAOYSA-N 0 0 312.395 0.708 10 0 DCAERN Cc1cnc(CCN(C)Cn2nnc3c(cnn3C)c2=O)s1 ZINC000165219382 664406254 /nfs/dbraw/zinc/40/62/54/664406254.db2.gz NVFKLQBBGULFQN-UHFFFAOYSA-N 0 0 319.394 0.422 10 0 DCAERN CC(C)NC(=O)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC000223801808 664423194 /nfs/dbraw/zinc/42/31/94/664423194.db2.gz CTHSGAFPLVVNLF-UHFFFAOYSA-N 0 0 306.366 0.652 10 0 DCAERN Cc1nn(C(C)C)c2cnn(CCC(=O)NCC(=O)N(C)C)c12 ZINC000223880817 664426583 /nfs/dbraw/zinc/42/65/83/664426583.db2.gz JVNKJJSTDIGYDX-UHFFFAOYSA-N 0 0 320.397 0.717 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H]1COc2ccccc21 ZINC000165899788 664431034 /nfs/dbraw/zinc/43/10/34/664431034.db2.gz RBRIOMIOFVXLBO-CMPLNLGQSA-N 0 0 310.375 0.997 10 0 DCAERN CC(=O)NC[C@H](C)OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157418254 664470529 /nfs/dbraw/zinc/47/05/29/664470529.db2.gz LWOFVEOYBDFUKO-CBAPKCEASA-N 0 0 310.272 0.465 10 0 DCAERN C[C@H](C(=O)N1Cc2ccccc2NC(=O)[C@H]1C)S(C)(=O)=O ZINC000168768519 664531588 /nfs/dbraw/zinc/53/15/88/664531588.db2.gz AVXMJNLYDCOKJK-NXEZZACHSA-N 0 0 310.375 0.789 10 0 DCAERN CCC[C@H](OC)c1noc(C[C@@H]2CS(=O)(=O)CCN2)n1 ZINC000227316388 664532976 /nfs/dbraw/zinc/53/29/76/664532976.db2.gz BWXRDOFTXSGPJV-ZJUUUORDSA-N 0 0 303.384 0.486 10 0 DCAERN CCc1cccc2c(CC(=O)NN3CC(=O)NC3=O)c[nH]c21 ZINC000171942608 664614110 /nfs/dbraw/zinc/61/41/10/664614110.db2.gz IJCWWIOLJYSSEE-UHFFFAOYSA-N 0 0 300.318 0.856 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172961980 664626080 /nfs/dbraw/zinc/62/60/80/664626080.db2.gz DEDFHCRAAYWMGZ-KFWWJZLASA-N 0 0 319.405 0.302 10 0 DCAERN CC(C)C1CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000232531824 664639765 /nfs/dbraw/zinc/63/97/65/664639765.db2.gz DRWVZQOLOMSFDJ-ZDUSSCGKSA-N 0 0 302.440 0.658 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N1CCC2(C1)OCCO2 ZINC000174519352 664639988 /nfs/dbraw/zinc/63/99/88/664639988.db2.gz OMCLFFUNXGNHQC-UHFFFAOYSA-N 0 0 310.325 0.976 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)oc1C ZINC000174595411 664640546 /nfs/dbraw/zinc/64/05/46/664640546.db2.gz QCUITVVAWCTUOR-LLVKDONJSA-N 0 0 324.406 0.761 10 0 DCAERN CCN1C[C@@H](COC(=O)COc2c(C)nn(C)c2C)CC1=O ZINC000151577584 664703599 /nfs/dbraw/zinc/70/35/99/664703599.db2.gz RKIWNNNQPMLMIX-LBPRGKRZSA-N 0 0 309.366 0.827 10 0 DCAERN Cn1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c(C(F)(F)F)n1 ZINC000152614309 664766579 /nfs/dbraw/zinc/76/65/79/664766579.db2.gz SHXCZRJKVZTOMD-VHSXEESVSA-N 0 0 318.299 0.594 10 0 DCAERN CC1(C)CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1=O ZINC000152829155 664775757 /nfs/dbraw/zinc/77/57/57/664775757.db2.gz NIRMLFFTZZPGBW-LBPRGKRZSA-N 0 0 306.366 0.327 10 0 DCAERN C[C@@H](OC(=O)C1=COCCC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000730851472 664820442 /nfs/dbraw/zinc/82/04/42/664820442.db2.gz AOXRGDZILUIOMM-MNOVXSKESA-N 0 0 310.350 0.336 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)c1ccsc1)N1CCOCC1 ZINC000153621921 664924771 /nfs/dbraw/zinc/92/47/71/664924771.db2.gz KDGVDOJMZFVSHZ-YPMHNXCESA-N 0 0 313.423 0.801 10 0 DCAERN CN(CC1CC1)C(=O)CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810933 664964969 /nfs/dbraw/zinc/96/49/69/664964969.db2.gz LTYYFHIHTIQMRD-LLVKDONJSA-N 0 0 321.343 0.950 10 0 DCAERN COc1cccc([C@@H](O)C(=O)NCCCN2CCCC2=O)c1 ZINC000154138415 665083043 /nfs/dbraw/zinc/08/30/43/665083043.db2.gz SCTAYMKUUBNOBZ-OAHLLOKOSA-N 0 0 306.362 0.857 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000352036419 665130208 /nfs/dbraw/zinc/13/02/08/665130208.db2.gz ZMDJPGRYORDYKZ-CYBMUJFWSA-N 0 0 321.402 0.422 10 0 DCAERN CCC1(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)COC1 ZINC000084851657 665391195 /nfs/dbraw/zinc/39/11/95/665391195.db2.gz NKOHJCYXKRITAY-UHFFFAOYSA-N 0 0 318.329 0.660 10 0 DCAERN COC(CN(CCCO)Cc1nsc(N(C)C)n1)OC ZINC000183661786 666089642 /nfs/dbraw/zinc/08/96/42/666089642.db2.gz GHVKRGQHTFWCEP-UHFFFAOYSA-N 0 0 304.416 0.407 10 0 DCAERN CC(C)(C)SCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000075849961 666156974 /nfs/dbraw/zinc/15/69/74/666156974.db2.gz YIVCIRLNSFBGEL-UHFFFAOYSA-N 0 0 308.469 0.365 10 0 DCAERN C[C@@H]1OCC[C@@H]1OC(=O)CN1CCN(c2ccccn2)CC1 ZINC000184705588 666260818 /nfs/dbraw/zinc/26/08/18/666260818.db2.gz GAUGMHBRSLYUPH-KBPBESRZSA-N 0 0 305.378 0.924 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000184910531 666302121 /nfs/dbraw/zinc/30/21/21/666302121.db2.gz NKPQSOMSKAEADL-NWDGAFQWSA-N 0 0 314.345 0.976 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)O[C@H]1CCN(CC(F)(F)F)C1 ZINC000185112407 666335411 /nfs/dbraw/zinc/33/54/11/666335411.db2.gz BKINPLQBOSVLKI-VIFPVBQESA-N 0 0 319.283 0.917 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)CC1CCCCC1 ZINC000073804798 666566103 /nfs/dbraw/zinc/56/61/03/666566103.db2.gz DCLKNAUJQWNKEV-UHFFFAOYSA-N 0 0 303.406 0.368 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)c1cc(Br)cnc1F ZINC000700899646 666778947 /nfs/dbraw/zinc/77/89/47/666778947.db2.gz PYHXIEZLJZYATC-QMMMGPOBSA-N 0 0 316.130 0.992 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000733883036 666823887 /nfs/dbraw/zinc/82/38/87/666823887.db2.gz UDHXZVIIWHGPGW-HOGDKLEQSA-N 0 0 302.421 0.751 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cn(Cc2ccccc2)nn1 ZINC000733881174 666823787 /nfs/dbraw/zinc/82/37/87/666823787.db2.gz XTZIJPOJIYSMQO-OAQYLSRUSA-N 0 0 306.391 0.825 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000733961776 666832255 /nfs/dbraw/zinc/83/22/55/666832255.db2.gz WSVBNTQCTQJKBJ-OAQYLSRUSA-N 0 0 314.382 0.830 10 0 DCAERN NS(=O)(=O)c1ccc(F)c(CNC(=O)C2=COCCC2)c1 ZINC000734551189 666888900 /nfs/dbraw/zinc/88/89/00/666888900.db2.gz LPBOJUZNHCSOOH-UHFFFAOYSA-N 0 0 314.338 0.784 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000735097937 666951875 /nfs/dbraw/zinc/95/18/75/666951875.db2.gz WQLJUCHUNLBJQU-YTEVENLXSA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000735100950 666952228 /nfs/dbraw/zinc/95/22/28/666952228.db2.gz NCCDHGNQUZUQLQ-NRFANRHFSA-N 0 0 317.455 0.703 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000735101498 666952919 /nfs/dbraw/zinc/95/29/19/666952919.db2.gz QEBLXTSLEKDQEE-SFHVURJKSA-N 0 0 312.457 0.268 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000735112367 666954477 /nfs/dbraw/zinc/95/44/77/666954477.db2.gz VGJUQPGUKKYJAX-VOQFUICPSA-N 0 0 312.457 0.218 10 0 DCAERN CC[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000702400913 666954583 /nfs/dbraw/zinc/95/45/83/666954583.db2.gz JVJHLAOLMNUJLS-KGLIPLIRSA-N 0 0 307.394 0.673 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cccc(C(C)=O)c1 ZINC000735200392 666964527 /nfs/dbraw/zinc/96/45/27/666964527.db2.gz PWOQLHFBMFAEBU-NRFANRHFSA-N 0 0 310.375 0.713 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000735202697 666968770 /nfs/dbraw/zinc/96/87/70/666968770.db2.gz ZTVQEXCVQVRWHB-NRFANRHFSA-N 0 0 322.308 0.927 10 0 DCAERN COCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815883 666999154 /nfs/dbraw/zinc/99/91/54/666999154.db2.gz QHTOZVNAMUDNOX-VXGBXAGGSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000702817041 666999662 /nfs/dbraw/zinc/99/96/62/666999662.db2.gz SRYADANOKNKCLY-WDEREUQCSA-N 0 0 310.354 0.367 10 0 DCAERN Cc1n[nH]cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702820713 667000362 /nfs/dbraw/zinc/00/03/62/667000362.db2.gz WMJBXOAMBRJQIV-PWSUYJOCSA-N 0 0 324.381 0.676 10 0 DCAERN O=C(c1ncsc1Br)N1CCCNC(=O)C1 ZINC000705214101 667283543 /nfs/dbraw/zinc/28/35/43/667283543.db2.gz IFYWMKHEAKKQRU-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN O=C1OCC[C@@H]1CCN1CCN(c2ccc3nncn3n2)CC1 ZINC000120466941 667316669 /nfs/dbraw/zinc/31/66/69/667316669.db2.gz AAHNYOOZWJSAHY-LBPRGKRZSA-N 0 0 316.365 0.200 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)CCS(=O)(=O)CC)C1 ZINC000120645131 667335248 /nfs/dbraw/zinc/33/52/48/667335248.db2.gz UJKPRIWJTOGWQA-LBPRGKRZSA-N 0 0 305.444 0.547 10 0 DCAERN COC[C@](C)(NCc1cnn(-c2ccccc2)n1)C(=O)OC ZINC000121164358 667387000 /nfs/dbraw/zinc/38/70/00/667387000.db2.gz VGWRCAHNRGEQPL-HNNXBMFYSA-N 0 0 304.350 0.935 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cccnc1Br ZINC000706798605 667423628 /nfs/dbraw/zinc/42/36/28/667423628.db2.gz RXALJBBJWLLOSB-BDAKNGLRSA-N 0 0 301.140 0.724 10 0 DCAERN C[C@H]1CN(c2nc(Cl)nc3nc[nH]c32)CCS1(=O)=O ZINC000707306275 667437865 /nfs/dbraw/zinc/43/78/65/667437865.db2.gz MFXIUOZTHNTWDO-LURJTMIESA-N 0 0 301.759 0.630 10 0 DCAERN CC1(C)CC(=O)NCCN1S(=O)(=O)N1CCCCCC1 ZINC000708150754 667442052 /nfs/dbraw/zinc/44/20/52/667442052.db2.gz YZNJZXXXBBIUEE-UHFFFAOYSA-N 0 0 303.428 0.708 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000711099065 667448913 /nfs/dbraw/zinc/44/89/13/667448913.db2.gz CAQRNKNVLVXOPX-YFKPBYRVSA-N 0 0 322.799 0.544 10 0 DCAERN C[C@H]1c2sccc2CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000712287013 667626659 /nfs/dbraw/zinc/62/66/59/667626659.db2.gz XGZSGNUCGBKVET-CMPLNLGQSA-N 0 0 316.448 0.985 10 0 DCAERN CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)C1 ZINC000886031252 667726110 /nfs/dbraw/zinc/72/61/10/667726110.db2.gz UIKLSDLZWILUMJ-ZWLBXZKKSA-N 0 0 323.393 0.924 10 0 DCAERN Cc1cnc(C)c(N2CCC[C@](O)(Cc3nncn3C)C2)n1 ZINC000886065453 667728092 /nfs/dbraw/zinc/72/80/92/667728092.db2.gz FSKCQWADIJKVCL-HNNXBMFYSA-N 0 0 302.382 0.796 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)COCC2CC2)C1 ZINC000886095437 667731454 /nfs/dbraw/zinc/73/14/54/667731454.db2.gz WLFSJOSEIIZSFA-OAHLLOKOSA-N 0 0 308.382 0.138 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097241 667731954 /nfs/dbraw/zinc/73/19/54/667731954.db2.gz VKEJWLXULVSLEL-GFCCVEGCSA-N 0 0 322.365 0.005 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000717383750 667740529 /nfs/dbraw/zinc/74/05/29/667740529.db2.gz GHFFENVDSNVKRO-SVGQVSJJSA-N 0 0 323.574 0.969 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000717384277 667743754 /nfs/dbraw/zinc/74/37/54/667743754.db2.gz IJWQGGOQCWPKON-XVKPBYJWSA-N 0 0 301.726 0.583 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000742658061 667796379 /nfs/dbraw/zinc/79/63/79/667796379.db2.gz KFIIORODQPXGNQ-KPWVOAKYSA-N 0 0 321.406 0.786 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)ccc21 ZINC000887016667 667836910 /nfs/dbraw/zinc/83/69/10/667836910.db2.gz OERKGXXXKVKSLN-ZIAGYGMSSA-N 0 0 316.361 0.628 10 0 DCAERN CCN1C[C@@H](COC(=O)[C@@H](C)NC(=O)c2ccco2)CC1=O ZINC000123731915 667843602 /nfs/dbraw/zinc/84/36/02/667843602.db2.gz JFIVOLUCBCUXIC-MNOVXSKESA-N 0 0 308.334 0.810 10 0 DCAERN O=S(=O)(c1ccns1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000717789547 667959019 /nfs/dbraw/zinc/95/90/19/667959019.db2.gz RROIHKCEHVQRAL-SSDOTTSWSA-N 0 0 302.299 0.831 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN(C2CC2)CC1 ZINC000124866539 668152808 /nfs/dbraw/zinc/15/28/08/668152808.db2.gz IIXDLPCMOVAJKQ-LBPRGKRZSA-N 0 0 318.464 0.213 10 0 DCAERN CC(C)c1nsc(CN2CC[C@](O)(Cn3ccnn3)C2)n1 ZINC000930422218 668168853 /nfs/dbraw/zinc/16/88/53/668168853.db2.gz BIVKRYNBTPGOSO-CYBMUJFWSA-N 0 0 308.411 0.890 10 0 DCAERN Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000187297251 668248453 /nfs/dbraw/zinc/24/84/53/668248453.db2.gz QWVGTEGFCCZFNE-LLVKDONJSA-N 0 0 322.365 0.624 10 0 DCAERN CC[C@@H]1CN(C(=O)NCc2nonc2C)C[C@H]1N1CCOCC1 ZINC000876439406 668446387 /nfs/dbraw/zinc/44/63/87/668446387.db2.gz KPQXUUVTVIVQII-TZMCWYRMSA-N 0 0 323.397 0.630 10 0 DCAERN CCOc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126430740 668581328 /nfs/dbraw/zinc/58/13/28/668581328.db2.gz HJPWRLSQPPAOSF-LBPRGKRZSA-N 0 0 312.391 0.801 10 0 DCAERN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c(F)c1 ZINC000126473468 668600730 /nfs/dbraw/zinc/60/07/30/668600730.db2.gz CHALAECGSDHOET-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN COc1ccc(N(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126720141 668647797 /nfs/dbraw/zinc/64/77/97/668647797.db2.gz DYOVDWGSELHMBU-NSHDSACASA-N 0 0 312.391 0.435 10 0 DCAERN C[C@H](c1ccc(F)nc1)N1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786746 669080928 /nfs/dbraw/zinc/08/09/28/669080928.db2.gz FICWEERPZNEDSX-KOLCDFICSA-N 0 0 304.329 0.919 10 0 DCAERN O=C(C[C@@H]1CC(=O)NC1=O)N1CCC(c2nccs2)CC1 ZINC000931589997 669226783 /nfs/dbraw/zinc/22/67/83/669226783.db2.gz LJJWHZUAFGPGLH-JTQLQIEISA-N 0 0 307.375 0.902 10 0 DCAERN COc1ccc2c(c1)N(CN1CCN(C3CC3)CC1)C(=O)C2=O ZINC000129092571 669354422 /nfs/dbraw/zinc/35/44/22/669354422.db2.gz QDCWOIMGJOPFQR-UHFFFAOYSA-N 0 0 315.373 0.962 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000132572844 669732651 /nfs/dbraw/zinc/73/26/51/669732651.db2.gz FXUJMHZOYUHWSR-GHMZBOCLSA-N 0 0 306.366 0.907 10 0 DCAERN Cc1ncc(CN2CCN(Cn3ncn(C)c3=O)CC2)s1 ZINC000132591227 669733477 /nfs/dbraw/zinc/73/34/77/669733477.db2.gz LYYOJKRJXDJVCX-UHFFFAOYSA-N 0 0 308.411 0.122 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000040830255 669822052 /nfs/dbraw/zinc/82/20/52/669822052.db2.gz PDNDURYOYTWMFN-UHFFFAOYSA-N 0 0 314.411 0.643 10 0 DCAERN C#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000042362218 669828053 /nfs/dbraw/zinc/82/80/53/669828053.db2.gz UWQGCHVERAVZMR-UHFFFAOYSA-N 0 0 323.370 0.806 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)c1ccsc1 ZINC000155502334 669833050 /nfs/dbraw/zinc/83/30/50/669833050.db2.gz WMKXDWJLZMNLMW-WDEREUQCSA-N 0 0 300.405 0.819 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159285542 669935927 /nfs/dbraw/zinc/93/59/27/669935927.db2.gz QBCLPFUNVWOLQW-STQMWFEESA-N 0 0 324.377 0.847 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000191425759 670022785 /nfs/dbraw/zinc/02/27/85/670022785.db2.gz DQKIQCGAAIDZMU-LBPRGKRZSA-N 0 0 301.268 0.994 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000188909497 670064785 /nfs/dbraw/zinc/06/47/85/670064785.db2.gz PMFULPHPGUYDIM-ZFWWWQNUSA-N 0 0 316.361 0.702 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000189131261 670092670 /nfs/dbraw/zinc/09/26/70/670092670.db2.gz ZPMUNEUGGXKKHQ-ZIAGYGMSSA-N 0 0 308.382 0.097 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)NNc1nc2ccccn2n1 ZINC000191882156 670113058 /nfs/dbraw/zinc/11/30/58/670113058.db2.gz UFHIDVAWJZHZFU-VIFPVBQESA-N 0 0 314.305 0.584 10 0 DCAERN CC1(C)CN(C[C@H]2CC3(CCC3)C(=O)O2)CCS1(=O)=O ZINC000192068538 670124227 /nfs/dbraw/zinc/12/42/27/670124227.db2.gz SZDJEODBARKRKF-LLVKDONJSA-N 0 0 301.408 0.981 10 0 DCAERN Cn1cc(CN[C@@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000712400182 670149128 /nfs/dbraw/zinc/14/91/28/670149128.db2.gz DLIFDABJJPSXLO-SECBINFHSA-N 0 0 322.228 0.849 10 0 DCAERN COCCOC[C@H](O)CN1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804784 670150954 /nfs/dbraw/zinc/15/09/54/670150954.db2.gz ZAAQSZGQWBHUKO-MNOVXSKESA-N 0 0 301.305 0.664 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OCCNc2ncccn2)n1 ZINC000192431954 670164202 /nfs/dbraw/zinc/16/42/02/670164202.db2.gz LZQBYRBJNBNEJF-UHFFFAOYSA-N 0 0 306.282 0.870 10 0 DCAERN Cn1cc(Cn2cnc3c(cnn3C)c2=O)c(Br)n1 ZINC000713852712 670170829 /nfs/dbraw/zinc/17/08/29/670170829.db2.gz LWGYWMQLHJYOLC-UHFFFAOYSA-N 0 0 323.154 0.674 10 0 DCAERN CC(=O)N[C@@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713859798 670171202 /nfs/dbraw/zinc/17/12/02/670171202.db2.gz NNZIKJUYUAPJOL-SNVBAGLBSA-N 0 0 301.188 0.893 10 0 DCAERN COCc1csc(C(=O)NCC2(S(N)(=O)=O)CC2)c1 ZINC000714014989 670174138 /nfs/dbraw/zinc/17/41/38/670174138.db2.gz HULIHLLOXLABLM-UHFFFAOYSA-N 0 0 304.393 0.445 10 0 DCAERN CN(Cc1cn(C)nc1Br)CC(C)(CO)CO ZINC000714076619 670175227 /nfs/dbraw/zinc/17/52/27/670175227.db2.gz QGSXGJSWYIOZGR-UHFFFAOYSA-N 0 0 306.204 0.605 10 0 DCAERN C[C@@H]1CO[C@@H](CO)CN1Cc1cn(C)nc1Br ZINC000714076984 670175651 /nfs/dbraw/zinc/17/56/51/670175651.db2.gz XWOXPWYEBLDUMP-PSASIEDQSA-N 0 0 304.188 0.764 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000189956801 670183086 /nfs/dbraw/zinc/18/30/86/670183086.db2.gz VNNNBZIYTDZJDP-UHFFFAOYSA-N 0 0 313.361 0.902 10 0 DCAERN CC1=C(C(=O)NCC2(CCO)CC2)[C@@H](C)n2ncnc2N1C ZINC000192607516 670184425 /nfs/dbraw/zinc/18/44/25/670184425.db2.gz CKHOSYBJZLWFRX-LLVKDONJSA-N 0 0 305.382 0.842 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CCC2(CC1)OCCO2 ZINC000714687323 670193117 /nfs/dbraw/zinc/19/31/17/670193117.db2.gz WWCWPFQHEBYWGS-UHFFFAOYSA-N 0 0 302.327 0.748 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1ncc(Br)s1 ZINC000714935214 670196773 /nfs/dbraw/zinc/19/67/73/670196773.db2.gz LWFOVHXEANFAJB-MUWHJKNJSA-N 0 0 320.212 0.899 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000716854660 670273267 /nfs/dbraw/zinc/27/32/67/670273267.db2.gz GMLKQLZDOGUATK-QJPTWQEYSA-N 0 0 306.428 0.466 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)OCCC(=O)N(C)C ZINC000103690262 670322826 /nfs/dbraw/zinc/32/28/26/670322826.db2.gz RCTXPXFMFJTGDT-AWEZNQCLSA-N 0 0 304.346 0.986 10 0 DCAERN C[C@H](O)c1nc2ccccc2n1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000193793610 670349031 /nfs/dbraw/zinc/34/90/31/670349031.db2.gz LNBLJMKYALVMDE-QWRGUYRKSA-N 0 0 318.377 0.683 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000190260552 670403574 /nfs/dbraw/zinc/40/35/74/670403574.db2.gz VYATZCSLIXZIOP-CYBMUJFWSA-N 0 0 313.361 0.592 10 0 DCAERN O=C(COC(=O)[C@H]1CNC(=O)C1)N1CCCc2ccccc21 ZINC000194646550 670447439 /nfs/dbraw/zinc/44/74/39/670447439.db2.gz OOEKBCJFFRCEEG-GFCCVEGCSA-N 0 0 302.330 0.645 10 0 DCAERN CCn1c(C)nnc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000194658662 670449573 /nfs/dbraw/zinc/44/95/73/670449573.db2.gz JAADXNNBTLJXSK-UHFFFAOYSA-N 0 0 306.347 0.951 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)nc1 ZINC000194769446 670456169 /nfs/dbraw/zinc/45/61/69/670456169.db2.gz VDUFYJWEOXBDPK-NSHDSACASA-N 0 0 314.773 0.550 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000112299976 670580184 /nfs/dbraw/zinc/58/01/84/670580184.db2.gz AJBAPIWYZDUDJV-APBUJDDRSA-N 0 0 306.453 0.571 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCc1cccnc1 ZINC000113666413 670756507 /nfs/dbraw/zinc/75/65/07/670756507.db2.gz DMLWRODWALONFA-CYBMUJFWSA-N 0 0 312.391 0.981 10 0 DCAERN Cn1cc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)nn1 ZINC000818187190 670986650 /nfs/dbraw/zinc/98/66/50/670986650.db2.gz FOWVHLHPYLKPFL-HNNXBMFYSA-N 0 0 318.381 0.645 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(F)c[nH]2)cn1 ZINC000818598102 671033526 /nfs/dbraw/zinc/03/35/26/671033526.db2.gz DCESEXZYUOFSAY-QWHCGFSZSA-N 0 0 308.313 0.946 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)C[C@](C)(C(C)C)C2=O)C1 ZINC000116867407 671132198 /nfs/dbraw/zinc/13/21/98/671132198.db2.gz QNOMNOHMYHVECH-XJKSGUPXSA-N 0 0 309.410 0.966 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(Br)n1 ZINC000821492575 671281853 /nfs/dbraw/zinc/28/18/53/671281853.db2.gz TYYRVONBMKMDFN-ZCFIWIBFSA-N 0 0 320.168 0.232 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(Cn2cc(C(=O)OC)nn2)C1 ZINC000101905188 671787273 /nfs/dbraw/zinc/78/72/73/671787273.db2.gz ATDFXIYJJPPOQL-LBPRGKRZSA-N 0 0 323.397 0.651 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1O ZINC000388919322 685256678 /nfs/dbraw/zinc/25/66/78/685256678.db2.gz VIFJQBKSNURMGM-DTWKUNHWSA-N 0 0 315.782 0.989 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2cnc(Cl)c(F)c2)CCN1 ZINC000396742153 685271265 /nfs/dbraw/zinc/27/12/65/685271265.db2.gz SDRXWWQQSMXZDI-SSDOTTSWSA-N 0 0 321.761 0.821 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)nc2C)C1 ZINC000398497466 685274470 /nfs/dbraw/zinc/27/44/70/685274470.db2.gz HGKRQNBJBXIGQE-SECBINFHSA-N 0 0 317.798 0.800 10 0 DCAERN CC(C)(CCS(=O)(=O)N1C[C@@H](O)C[C@@]1(C)CO)C1CC1 ZINC000718015317 685304827 /nfs/dbraw/zinc/30/48/27/685304827.db2.gz NHFNQQHVPOIPJH-JSGCOSHPSA-N 0 0 305.440 0.960 10 0 DCAERN CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CCC(=O)CC1 ZINC000718901121 685306907 /nfs/dbraw/zinc/30/69/07/685306907.db2.gz CQIPKJQSAJMCPM-NWDGAFQWSA-N 0 0 300.424 0.996 10 0 DCAERN CO[C@@]1(CNC(=O)c2ccc(Cl)nn2)CCS(=O)(=O)C1 ZINC000720851350 685316555 /nfs/dbraw/zinc/31/65/55/685316555.db2.gz KJTBHRQRBFBUEE-LLVKDONJSA-N 0 0 319.770 0.064 10 0 DCAERN CO[C@@]1(CNCc2ncc(Cl)n2C)CCS(=O)(=O)C1 ZINC000721213254 685317904 /nfs/dbraw/zinc/31/79/04/685317904.db2.gz SIRLKJORXWCLNM-LLVKDONJSA-N 0 0 307.803 0.367 10 0 DCAERN COc1ncc(Cl)c(NC[C@@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721218471 685318058 /nfs/dbraw/zinc/31/80/58/685318058.db2.gz IHTCDOQIGZNEOZ-NSHDSACASA-N 0 0 321.786 0.754 10 0 DCAERN O=C(NCC[C@@H]1CNCCS1(=O)=O)NC1CCCCC1 ZINC000721762638 685319005 /nfs/dbraw/zinc/31/90/05/685319005.db2.gz QXULTHGNIFAHMX-GFCCVEGCSA-N 0 0 303.428 0.395 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2csc([C@@H](C)N)n2)CC1 ZINC000090949482 685102863 /nfs/dbraw/zinc/10/28/63/685102863.db2.gz DZSDXRWFNLUFAR-SECBINFHSA-N 0 0 311.411 0.650 10 0 DCAERN C#CCN(C(=O)N[C@@H](C)CCSC)[C@@H]1CCS(=O)(=O)C1 ZINC000091222315 685104140 /nfs/dbraw/zinc/10/41/40/685104140.db2.gz IUFSZDDHIOPATF-NWDGAFQWSA-N 0 0 318.464 0.960 10 0 DCAERN CC(C)c1csc(NC(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000096756372 685112881 /nfs/dbraw/zinc/11/28/81/685112881.db2.gz PIDLAAVPDWQDMF-UHFFFAOYSA-N 0 0 308.363 0.916 10 0 DCAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000151363013 685132442 /nfs/dbraw/zinc/13/24/42/685132442.db2.gz JDSJNHBIZJNIAE-CABCVRRESA-N 0 0 301.390 0.728 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000190492247 685154111 /nfs/dbraw/zinc/15/41/11/685154111.db2.gz HEELEMJAHUDXHF-UHFFFAOYSA-N 0 0 303.297 0.367 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@H](c3nccs3)C2)CCO1 ZINC000195521629 685154918 /nfs/dbraw/zinc/15/49/18/685154918.db2.gz LKOQCZCNVDHYPF-NEPJUHHUSA-N 0 0 311.407 0.764 10 0 DCAERN C[C@@H]1CN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CCS1(=O)=O ZINC000246873363 685167541 /nfs/dbraw/zinc/16/75/41/685167541.db2.gz AMWMMPLHHIYNSK-WOPDTQHZSA-N 0 0 312.391 0.014 10 0 DCAERN COC(=O)C[C@@H](C)NC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000248162599 685174080 /nfs/dbraw/zinc/17/40/80/685174080.db2.gz MMYSYMRXESPJFJ-YPMHNXCESA-N 0 0 317.349 0.525 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1nnnn1C1CC1 ZINC000249339541 685178916 /nfs/dbraw/zinc/17/89/16/685178916.db2.gz DFPWWXLCCLYITD-NXEZZACHSA-N 0 0 314.415 0.635 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCc3c2cnn3C)O1 ZINC000249271567 685178936 /nfs/dbraw/zinc/17/89/36/685178936.db2.gz JGIMPWONGOUVST-BNOWGMLFSA-N 0 0 321.377 0.977 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCN1CCO ZINC000249509314 685181084 /nfs/dbraw/zinc/18/10/84/685181084.db2.gz MIUYZYHMMHWSCR-WMLDXEAASA-N 0 0 306.406 0.809 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC2(CCCC2)C1 ZINC000380302241 685236754 /nfs/dbraw/zinc/23/67/54/685236754.db2.gz SSYPSCXBHVZHPS-GFCCVEGCSA-N 0 0 300.424 0.556 10 0 DCAERN COC[C@@H](O)CNC(=O)CNC(=O)c1ccccc1Cl ZINC000071263722 1157433190 /nfs/dbraw/zinc/43/31/90/1157433190.db2.gz IEQBGFLRWMRCGA-VIFPVBQESA-N 0 0 300.742 0.193 10 0 DCAERN CC(=O)N1CCC(CNC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000129334366 1157620232 /nfs/dbraw/zinc/62/02/32/1157620232.db2.gz DKGKCVNXKCHBBN-UHFFFAOYSA-N 0 0 318.439 0.574 10 0 DCAERN O=C(NCCn1cnccc1=O)c1cnn(-c2ccccc2)n1 ZINC000585238202 1158110774 /nfs/dbraw/zinc/11/07/74/1158110774.db2.gz SQFPDJLOMOKITG-UHFFFAOYSA-N 0 0 310.317 0.254 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NC[C@H]1CNC(=O)C1 ZINC000398338171 1158116244 /nfs/dbraw/zinc/11/62/44/1158116244.db2.gz BXOWDWGGVSUJLS-SSDOTTSWSA-N 0 0 312.167 0.897 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1nc(-c2cnccn2)no1 ZINC000044122408 1171560712 /nfs/dbraw/zinc/56/07/12/1171560712.db2.gz BFYCXMDFSHHOGS-UHFFFAOYSA-N 0 0 316.321 0.269 10 0 DCAERN COc1ccc(OC)c(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000044441098 1171567735 /nfs/dbraw/zinc/56/77/35/1171567735.db2.gz WQDNZEMGVFWZPA-UHFFFAOYSA-N 0 0 319.317 0.570 10 0 DCAERN C[C@H](Cc1ccsc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000081457357 1174576168 /nfs/dbraw/zinc/57/61/68/1174576168.db2.gz QWDSHPFGZPCJNS-SNVBAGLBSA-N 0 0 307.375 0.688 10 0 DCAERN O=C(COc1cccc(Br)c1)NC[C@@H](O)CO ZINC000090280422 1175390791 /nfs/dbraw/zinc/39/07/91/1175390791.db2.gz YZNCEAZSXWVTJL-SECBINFHSA-N 0 0 304.140 0.297 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)CCS1(=O)=O ZINC000121786239 1177008294 /nfs/dbraw/zinc/00/82/94/1177008294.db2.gz GSFZTSCFXZYKJT-SNVBAGLBSA-N 0 0 324.358 0.240 10 0 DCAERN CC(=O)N1CCCN(C(=O)CNC(=O)c2ccoc2C)CC1 ZINC000141375509 1179983271 /nfs/dbraw/zinc/98/32/71/1179983271.db2.gz XVBSUBRWPVGUHH-UHFFFAOYSA-N 0 0 307.350 0.399 10 0 DCAERN Cc1noc(C)c1[C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000152416836 1180544716 /nfs/dbraw/zinc/54/47/16/1180544716.db2.gz ZEYCSCRNHFVVKT-XVKPBYJWSA-N 0 0 308.338 0.499 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000152757309 1180546166 /nfs/dbraw/zinc/54/61/66/1180546166.db2.gz XIGUMXCGMOEXMA-OLZOCXBDSA-N 0 0 309.410 0.523 10 0 DCAERN COCCOC1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000156047270 1180555763 /nfs/dbraw/zinc/55/57/63/1180555763.db2.gz SBSNUBFJCJKGEV-UHFFFAOYSA-N 0 0 309.366 0.654 10 0 DCAERN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC ZINC000238329385 1182241801 /nfs/dbraw/zinc/24/18/01/1182241801.db2.gz DGEZNFGBRYPCBX-ZJUUUORDSA-N 0 0 318.370 0.594 10 0 DCAERN CCC(CC)C(=O)NCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000169840658 1183609678 /nfs/dbraw/zinc/60/96/78/1183609678.db2.gz JBHBASGIKDRPTF-CYBMUJFWSA-N 0 0 311.426 0.912 10 0 DCAERN NC(=O)NC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21 ZINC000171400933 1183730903 /nfs/dbraw/zinc/73/09/03/1183730903.db2.gz RRZJNWORFIUZGY-NSHDSACASA-N 0 0 316.365 0.481 10 0 DCAERN COC(=O)[C@@](C)(NC(=O)Cn1nnc2ccccc21)C1CC1 ZINC000172465753 1183850674 /nfs/dbraw/zinc/85/06/74/1183850674.db2.gz UHFBAMVMBLUXQV-HNNXBMFYSA-N 0 0 302.334 0.889 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccccc1C ZINC000175273653 1184070108 /nfs/dbraw/zinc/07/01/08/1184070108.db2.gz SSWBGEICIUWSAW-ZDUSSCGKSA-N 0 0 314.407 0.426 10 0 DCAERN COC(=O)C[C@H]1CCCN1C(=O)Cn1nnc2ccccc21 ZINC000178800725 1185158864 /nfs/dbraw/zinc/15/88/64/1185158864.db2.gz BMMCMFBYMBLHRD-LLVKDONJSA-N 0 0 302.334 0.985 10 0 DCAERN O=C(CCc1nc(-c2ccncc2)no1)NCCCOCCO ZINC000180365536 1185171434 /nfs/dbraw/zinc/17/14/34/1185171434.db2.gz RCQYJKAEBWDCTO-UHFFFAOYSA-N 0 0 320.349 0.579 10 0 DCAERN C[C@H](NCc1nccc(N)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000182860620 1185190233 /nfs/dbraw/zinc/19/02/33/1185190233.db2.gz FHMIWLRDKVZXQL-VIFPVBQESA-N 0 0 307.379 0.557 10 0 DCAERN CNC(=O)Cc1nc(CN2CCO[C@]3(CCOC3)C2)cs1 ZINC000185167818 1187240865 /nfs/dbraw/zinc/24/08/65/1187240865.db2.gz PMWWMHGYESQLTK-CQSZACIVSA-N 0 0 311.407 0.423 10 0 DCAERN CC(C)CN1CCN(C(=O)Cn2nnc3ccccc32)CC1=O ZINC000188673767 1187777935 /nfs/dbraw/zinc/77/79/35/1187777935.db2.gz MSYKWLDQRPJBEM-UHFFFAOYSA-N 0 0 315.377 0.758 10 0 DCAERN C[C@@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nnnn1C ZINC000189817541 1187954001 /nfs/dbraw/zinc/95/40/01/1187954001.db2.gz WYTHBXHBFFEOFQ-DTWKUNHWSA-N 0 0 310.383 0.269 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(Cl)c2N)C1 ZINC000400303206 1189987755 /nfs/dbraw/zinc/98/77/55/1189987755.db2.gz TVIHIVQDYZNVTH-MRVPVSSYSA-N 0 0 317.798 0.686 10 0 DCAERN O=C(c1nscc1Br)N1CC[C@H](O)[C@@H](CO)C1 ZINC000404941150 1190241484 /nfs/dbraw/zinc/24/14/84/1190241484.db2.gz LXWCZIPUKLKXEU-SVRRBLITSA-N 0 0 321.196 0.721 10 0 DCAERN CCC[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307891971 1190384467 /nfs/dbraw/zinc/38/44/67/1190384467.db2.gz KNQCMGAFIQAAGJ-VIFPVBQESA-N 0 0 300.380 0.563 10 0 DCAERN CNC(=O)[C@H](C)NC(=O)c1cc(Br)ccc1N ZINC000123918139 768647965 /nfs/dbraw/zinc/64/79/65/768647965.db2.gz XTDQBXBDSXQHAS-LURJTMIESA-N 0 0 300.156 0.896 10 0 DCAERN CN(CC(=O)N1CCCC1)S(=O)(=O)c1cccnc1F ZINC000401954803 774071581 /nfs/dbraw/zinc/07/15/81/774071581.db2.gz XUMHYBLOWGDSDN-UHFFFAOYSA-N 0 0 301.343 0.464 10 0 DCAERN NC(=O)[C@H](O)CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000311306364 774428459 /nfs/dbraw/zinc/42/84/59/774428459.db2.gz QXZQZTVJDCPEEK-JWXWKVPASA-N 0 0 303.145 0.969 10 0 DCAERN O=C(c1cccc(Br)n1)N1CC[C@H](O)[C@H](CO)C1 ZINC000396927570 939692850 /nfs/dbraw/zinc/69/28/50/939692850.db2.gz MXUTVTIKKXEMFQ-WPRPVWTQSA-N 0 0 315.167 0.659 10 0 DCAERN COC[C@]1(C(=O)[O-])CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000696832616 954819435 /nfs/dbraw/zinc/81/94/35/954819435.db2.gz CQFYGLCVSRZROW-AAEUAGOBSA-N 0 0 305.396 0.234 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)[nH]n1 ZINC000078901905 185126052 /nfs/dbraw/zinc/12/60/52/185126052.db2.gz GEOZPGKCNNBUQK-GHMZBOCLSA-N 0 0 314.411 0.362 10 0 DCAERN CCC(CC)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000075017945 282146677 /nfs/dbraw/zinc/14/66/77/282146677.db2.gz FYNSJJIQDLWZGW-UHFFFAOYSA-N 0 0 305.444 0.763 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000188688472 529425681 /nfs/dbraw/zinc/42/56/81/529425681.db2.gz XWPJUXSUZBWCBL-IHRRRGAJSA-N 0 0 320.455 0.825 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CCCN(C)C(=O)C2)CC1=O ZINC000189789068 282187012 /nfs/dbraw/zinc/18/70/12/282187012.db2.gz LRQUWRSDCMJXBP-LBPRGKRZSA-N 0 0 309.410 0.714 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000088199991 185241812 /nfs/dbraw/zinc/24/18/12/185241812.db2.gz VDAXMPPJALNBED-SECBINFHSA-N 0 0 302.338 0.532 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1COCCO1 ZINC000089990110 185275085 /nfs/dbraw/zinc/27/50/85/185275085.db2.gz RIHLANGVFXIBNW-QMMMGPOBSA-N 0 0 303.112 0.491 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178424700 529705001 /nfs/dbraw/zinc/70/50/01/529705001.db2.gz GGANXMMZRZUXBS-JQWIXIFHSA-N 0 0 300.403 0.361 10 0 DCAERN Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000181441371 199297700 /nfs/dbraw/zinc/29/77/00/199297700.db2.gz AOBBQHHTFGLOBF-QWHCGFSZSA-N 0 0 318.416 0.376 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c(C)c1 ZINC000097002323 185396512 /nfs/dbraw/zinc/39/65/12/185396512.db2.gz MVZVKORFNCJGIS-LLVKDONJSA-N 0 0 310.379 0.962 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)CC[C@@H]1CCCO1 ZINC000097015066 185397126 /nfs/dbraw/zinc/39/71/26/185397126.db2.gz NUTCQMFINAKTIG-NWDGAFQWSA-N 0 0 314.411 0.910 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(C)C ZINC000178412906 529919605 /nfs/dbraw/zinc/91/96/05/529919605.db2.gz VRKAOUDMJFXXGT-CHWSQXEVSA-N 0 0 314.430 0.025 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCOCC1 ZINC000045278027 303980986 /nfs/dbraw/zinc/98/09/86/303980986.db2.gz ZJYRPXRBKOAABZ-LBPRGKRZSA-N 0 0 310.375 0.947 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1C ZINC000106921357 185463976 /nfs/dbraw/zinc/46/39/76/185463976.db2.gz WAJXRPLENQMHBO-CYBMUJFWSA-N 0 0 303.362 0.462 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1ccc(F)c(CSC)c1 ZINC000188978155 530017842 /nfs/dbraw/zinc/01/78/42/530017842.db2.gz IPZPABCJASRRAJ-UHFFFAOYSA-N 0 0 320.411 0.968 10 0 DCAERN CCC1(CC)CN(C(=O)C2(O)CCOCC2)CCS1(=O)=O ZINC000408372569 282356860 /nfs/dbraw/zinc/35/68/60/282356860.db2.gz AWGVZSCMXSRXQL-UHFFFAOYSA-N 0 0 319.423 0.344 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)no1 ZINC000181711685 199342296 /nfs/dbraw/zinc/34/22/96/199342296.db2.gz VGOSMJJVSLOVNN-QWHCGFSZSA-N 0 0 308.382 0.980 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000265700236 290753657 /nfs/dbraw/zinc/75/36/57/290753657.db2.gz QIMQFVZEUPREGG-GXFFZTMASA-N 0 0 311.359 0.472 10 0 DCAERN COCCN(C)S(=O)(=O)N(C)Cc1ccc(Cl)nc1 ZINC000111327055 185582566 /nfs/dbraw/zinc/58/25/66/185582566.db2.gz MZEXRUPBLAQAHB-UHFFFAOYSA-N 0 0 307.803 0.990 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)COCc1ccnn1C ZINC000286796112 219170208 /nfs/dbraw/zinc/17/02/08/219170208.db2.gz NZFPXSYYWMRGDP-LNSITVRQSA-N 0 0 321.377 0.737 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000234617918 201906185 /nfs/dbraw/zinc/90/61/85/201906185.db2.gz QZQOYURRWLTESN-QJPTWQEYSA-N 0 0 305.396 0.817 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@H](C)O1 ZINC000292348623 290775746 /nfs/dbraw/zinc/77/57/46/290775746.db2.gz PQFHQNBSDJLFHL-UWVGGRQHSA-N 0 0 317.345 0.618 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CN1CCc2ccccc2C1=O ZINC000279663712 215043081 /nfs/dbraw/zinc/04/30/81/215043081.db2.gz FTMXEJSUFVUSBO-UHFFFAOYSA-N 0 0 302.374 0.916 10 0 DCAERN CCC1=C(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCO1 ZINC000373833580 282532861 /nfs/dbraw/zinc/53/28/61/282532861.db2.gz VNWAAQJVQRAIRI-OAHLLOKOSA-N 0 0 307.350 0.662 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCC[C@H]3CCCO3)cc2[nH]1 ZINC000074850723 545673389 /nfs/dbraw/zinc/67/33/89/545673389.db2.gz IIIONEROZXQSKZ-SECBINFHSA-N 0 0 311.363 0.704 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000171487028 186167108 /nfs/dbraw/zinc/16/71/08/186167108.db2.gz FPUKWJIHMAVRLZ-VHSXEESVSA-N 0 0 309.391 0.603 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000175711490 186190973 /nfs/dbraw/zinc/19/09/73/186190973.db2.gz IZLYMMIJSCKLDA-JSGCOSHPSA-N 0 0 307.398 0.282 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000175709958 186191026 /nfs/dbraw/zinc/19/10/26/186191026.db2.gz WNFSGBNMQVUYQY-MRVPVSSYSA-N 0 0 307.354 0.889 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000175678623 186187211 /nfs/dbraw/zinc/18/72/11/186187211.db2.gz PMMBYKDVYZKBPX-TZMCWYRMSA-N 0 0 307.398 0.282 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(F)cc1F ZINC000179686767 186205858 /nfs/dbraw/zinc/20/58/58/186205858.db2.gz CNOYSXAFLPAXKO-SNVBAGLBSA-N 0 0 320.317 0.148 10 0 DCAERN O=C(CN1CCCCCCC1=O)N[C@@H]1CCc2ncnn2C1 ZINC000172001958 198023285 /nfs/dbraw/zinc/02/32/85/198023285.db2.gz KOIWIPQAKDSKMN-GFCCVEGCSA-N 0 0 305.382 0.502 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NC[C@@H]3CN(C)CCO3)C2)cn1 ZINC000172121501 198042254 /nfs/dbraw/zinc/04/22/54/198042254.db2.gz VTFIZJGUIWLZTQ-GXTWGEPZSA-N 0 0 307.398 0.250 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)NC4(CC4)C3=O)C2)n(C)n1 ZINC000280075530 215357450 /nfs/dbraw/zinc/35/74/50/215357450.db2.gz LIYXLBUIIREHMU-LLVKDONJSA-N 0 0 303.366 0.782 10 0 DCAERN CC(=O)NC[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000172238550 198063269 /nfs/dbraw/zinc/06/32/69/198063269.db2.gz HNSHIYDMMHIORF-DLBZAZTESA-N 0 0 322.405 0.401 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000172315498 198078745 /nfs/dbraw/zinc/07/87/45/198078745.db2.gz QHVHGSAPUOVKJU-ZDUSSCGKSA-N 0 0 312.391 0.353 10 0 DCAERN COCCN1CCN(C(=O)NCCn2cc(C)cn2)C[C@H]1C ZINC000172291544 198071944 /nfs/dbraw/zinc/07/19/44/198071944.db2.gz QFYZNGQFCXPWQX-CQSZACIVSA-N 0 0 309.414 0.554 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000172604580 198123000 /nfs/dbraw/zinc/12/30/00/198123000.db2.gz BXLSFTBOWPXJQS-JTQLQIEISA-N 0 0 321.395 0.774 10 0 DCAERN Cc1nc(N)cc([C@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 ZINC000072387810 191146362 /nfs/dbraw/zinc/14/63/62/191146362.db2.gz IMVVJABZIQUNRD-GFCCVEGCSA-N 0 0 302.338 0.314 10 0 DCAERN Cc1c2c(cc(=O)n1CC[NH+](C)C)[n-]n(-c1ncccn1)c2=O ZINC000072446230 191168471 /nfs/dbraw/zinc/16/84/71/191168471.db2.gz FNBSJWGBFJPJCT-UHFFFAOYSA-N 0 0 314.349 0.141 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000089755951 295846138 /nfs/dbraw/zinc/84/61/38/295846138.db2.gz GIIGVPOQFVSYPL-GXSJLCMTSA-N 0 0 308.721 0.565 10 0 DCAERN COc1ccc(Br)cc1CC(=O)NCC(N)=O ZINC000173039861 198180162 /nfs/dbraw/zinc/18/01/62/198180162.db2.gz MJCCBIMBOAXJEM-UHFFFAOYSA-N 0 0 301.140 0.602 10 0 DCAERN COC(=O)c1ccc(Cl)c(CN2CCOC[C@@H]2C(N)=O)c1 ZINC000182049348 199379202 /nfs/dbraw/zinc/37/92/02/199379202.db2.gz DNZXNAQIDGGWQK-GFCCVEGCSA-N 0 0 312.753 0.813 10 0 DCAERN CC(=O)NCCNC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173362859 198207330 /nfs/dbraw/zinc/20/73/30/198207330.db2.gz IPDVNHRZBVQNJY-CQSZACIVSA-N 0 0 318.377 0.569 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173837503 198258252 /nfs/dbraw/zinc/25/82/52/198258252.db2.gz YPKATDLIOMASIN-NHYWBVRUSA-N 0 0 306.410 0.748 10 0 DCAERN Cc1cc(C)c(OCC(=O)N[C@H]2CCC(=O)NC2=O)c(C)c1 ZINC000174271705 198312430 /nfs/dbraw/zinc/31/24/30/198312430.db2.gz JJVHPMOUZNVPMF-LBPRGKRZSA-N 0 0 304.346 0.912 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)c2ccccc2N)CC1 ZINC000280183472 215436988 /nfs/dbraw/zinc/43/69/88/215436988.db2.gz IGBGERWDNQOWFG-UHFFFAOYSA-N 0 0 304.393 0.124 10 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321.443 0.141 10 0 DCAERN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)n1ccnc1 ZINC000073712129 191347043 /nfs/dbraw/zinc/34/70/43/191347043.db2.gz MUITZTZYHUBVQY-LBPRGKRZSA-N 0 0 322.390 0.939 10 0 DCAERN COC(=O)[C@]1(C)CCCn2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000005529842 181253811 /nfs/dbraw/zinc/25/38/11/181253811.db2.gz ASZBTHSQDWJIMQ-HNNXBMFYSA-N 0 0 303.318 0.483 10 0 DCAERN Cc1cc(C(=O)NCC[C@@H](C)O)cc(S(N)(=O)=O)c1C ZINC000081418647 192261442 /nfs/dbraw/zinc/26/14/42/192261442.db2.gz RGXPWTAWVWGJNW-SECBINFHSA-N 0 0 300.380 0.452 10 0 DCAERN CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000005727823 181277836 /nfs/dbraw/zinc/27/78/36/181277836.db2.gz CIFFIYJOTIJKSX-NIFZNCRKSA-N 0 0 310.346 0.801 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000081589044 192299075 /nfs/dbraw/zinc/29/90/75/192299075.db2.gz HQUDYHASXWHJQM-NEPJUHHUSA-N 0 0 321.381 0.033 10 0 DCAERN C[C@@](NC(=O)[C@@H]1CNC(=O)C1)(C(N)=O)c1cccc(Cl)c1 ZINC000178153420 198823074 /nfs/dbraw/zinc/82/30/74/198823074.db2.gz HSWSASHAIKVUBV-RTHLEPHNSA-N 0 0 309.753 0.293 10 0 DCAERN CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178872494 198944254 /nfs/dbraw/zinc/94/42/54/198944254.db2.gz HCYPAFUSQRZLRJ-LBPRGKRZSA-N 0 0 314.407 0.813 10 0 DCAERN CNC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000408014206 283273144 /nfs/dbraw/zinc/27/31/44/283273144.db2.gz RWZQUTSOLTVVGW-GFCCVEGCSA-N 0 0 307.394 0.374 10 0 DCAERN C[C@@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(N)=O ZINC000178960989 198960721 /nfs/dbraw/zinc/96/07/21/198960721.db2.gz PJVYTEPOKQXCGL-RXMQYKEDSA-N 0 0 317.143 0.143 10 0 DCAERN Cn1cnc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000179340278 199018299 /nfs/dbraw/zinc/01/82/99/199018299.db2.gz CSYVDBRMLUVFDW-INIZCTEOSA-N 0 0 314.389 0.912 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@]2(C)CCCC[C@H]2O)cn1 ZINC000179460964 199039150 /nfs/dbraw/zinc/03/91/50/199039150.db2.gz CUDWKQYZEORRLL-IUODEOHRSA-N 0 0 323.397 0.692 10 0 DCAERN CCC(CC)[C@@H](O)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179457964 199039238 /nfs/dbraw/zinc/03/92/38/199039238.db2.gz CXHFFZXWFRGUEN-LBPRGKRZSA-N 0 0 311.386 0.548 10 0 DCAERN Cn1cc(CNC(=O)NC[C@@]2(O)CCOC2)c(C(F)(F)F)n1 ZINC000179633816 199067203 /nfs/dbraw/zinc/06/72/03/199067203.db2.gz PWEKCGLUSRQFLN-NSHDSACASA-N 0 0 322.287 0.390 10 0 DCAERN CN1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc21 ZINC000180208775 199130289 /nfs/dbraw/zinc/13/02/89/199130289.db2.gz UZDOFKIJXRNDAA-JTQLQIEISA-N 0 0 302.334 0.458 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)NCCCN1CCOCC1 ZINC000180170147 199125949 /nfs/dbraw/zinc/12/59/49/199125949.db2.gz GMKWBKLVMOSCRV-ZDUSSCGKSA-N 0 0 309.414 0.845 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000180192084 199129024 /nfs/dbraw/zinc/12/90/24/199129024.db2.gz VOJBTCINTNOMKT-ZDUSSCGKSA-N 0 0 302.334 0.057 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180257906 199137559 /nfs/dbraw/zinc/13/75/59/199137559.db2.gz UNTDEHLBQWTQFG-ZYHUDNBSSA-N 0 0 322.365 0.101 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000180268778 199139922 /nfs/dbraw/zinc/13/99/22/199139922.db2.gz KFJQJLGLHOPFCY-CYBMUJFWSA-N 0 0 305.309 0.562 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccnc1 ZINC000180326124 199146603 /nfs/dbraw/zinc/14/66/03/199146603.db2.gz AYHUJVYMGDFSKU-RYUDHWBXSA-N 0 0 311.407 0.677 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1=O ZINC000180407169 199155157 /nfs/dbraw/zinc/15/51/57/199155157.db2.gz JNWAPCHUUGUHBP-QWHCGFSZSA-N 0 0 322.409 0.970 10 0 DCAERN CCOCCN(C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180634767 199188633 /nfs/dbraw/zinc/18/86/33/199188633.db2.gz XTBOXNKPMXUJAV-UHFFFAOYSA-N 0 0 317.349 0.905 10 0 DCAERN CCC[C@@H]1C[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000180667499 199193792 /nfs/dbraw/zinc/19/37/92/199193792.db2.gz PZXUHKRBKRYGSM-GHMZBOCLSA-N 0 0 309.366 0.618 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC000180722037 199201617 /nfs/dbraw/zinc/20/16/17/199201617.db2.gz SMKYNODAVUSOII-BMIGLBTASA-N 0 0 318.373 0.860 10 0 DCAERN Cn1cnc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)cnc21 ZINC000180845050 199217116 /nfs/dbraw/zinc/21/71/16/199217116.db2.gz XISGVODEHKKBHW-WDEREUQCSA-N 0 0 301.350 0.742 10 0 DCAERN CN1CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000180993625 199238099 /nfs/dbraw/zinc/23/80/99/199238099.db2.gz WKAZQBCPBIIRHS-UHFFFAOYSA-N 0 0 314.349 0.184 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000152653419 237008200 /nfs/dbraw/zinc/00/82/00/237008200.db2.gz MLTZNROTFDTYDG-NXEZZACHSA-N 0 0 302.400 0.172 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155157522 237036322 /nfs/dbraw/zinc/03/63/22/237036322.db2.gz DBNKOWZTGXSBPZ-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000162360000 237108260 /nfs/dbraw/zinc/10/82/60/237108260.db2.gz AJYKENFIDJYQRR-GWCFXTLKSA-N 0 0 318.377 0.690 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)C[C@H](C)O1 ZINC000172213056 237143880 /nfs/dbraw/zinc/14/38/80/237143880.db2.gz XCSVWTJVNJMUKY-PHIMTYICSA-N 0 0 300.384 0.262 10 0 DCAERN Cc1nc2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2o1 ZINC000280974014 215998038 /nfs/dbraw/zinc/99/80/38/215998038.db2.gz RVPIJDQQWOJYHV-NSHDSACASA-N 0 0 323.374 0.900 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1CC ZINC000187303457 200091991 /nfs/dbraw/zinc/09/19/91/200091991.db2.gz BKSQNRYQOTZZEM-NSHDSACASA-N 0 0 322.409 0.033 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCN(C)C(=O)[C@H]2C)cc1C ZINC000186842459 237330108 /nfs/dbraw/zinc/33/01/08/237330108.db2.gz XHKBCAKDHUKMPF-CYBMUJFWSA-N 0 0 317.389 0.722 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2C[C@@H](C)O[C@H](CO)C2)cc1C ZINC000187830020 200163607 /nfs/dbraw/zinc/16/36/07/200163607.db2.gz YKJBLCZCUHBONA-HIFRSBDPSA-N 0 0 320.389 0.641 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)[C@H](C)CO ZINC000188895380 237384633 /nfs/dbraw/zinc/38/46/33/237384633.db2.gz QHYDDUCKUVUAEI-MXWKQRLJSA-N 0 0 308.382 0.926 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H](C)N1CCCCC1=O ZINC000194600299 237503129 /nfs/dbraw/zinc/50/31/29/237503129.db2.gz ARUVXRZCFUVHJS-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2CCC(=O)c3ccccc32)[C@@H]1C(N)=O ZINC000285645647 291201998 /nfs/dbraw/zinc/20/19/98/291201998.db2.gz WWUVBKYAAFOOTE-DGFSRKRXSA-N 0 0 316.357 0.848 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc(Br)o2)[C@@H]1C(N)=O ZINC000285676965 291203037 /nfs/dbraw/zinc/20/30/37/291203037.db2.gz YUZIYBSCRBAWEF-MUWHJKNJSA-N 0 0 317.139 0.757 10 0 DCAERN C[C@@]1(C(=O)N2CCO[C@@H](Cn3cccn3)C2)CCC(=O)NC1 ZINC000281135344 216103648 /nfs/dbraw/zinc/10/36/48/216103648.db2.gz DINJNPQCURJNDK-IUODEOHRSA-N 0 0 306.366 0.027 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188724592 200294343 /nfs/dbraw/zinc/29/43/43/200294343.db2.gz MWZXITCPQAUEBZ-LBPRGKRZSA-N 0 0 316.427 0.151 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CCNC(=O)C2)c(C(F)(F)F)n1 ZINC000153991130 291209881 /nfs/dbraw/zinc/20/98/81/291209881.db2.gz SJEMNKASRBQVAD-SSDOTTSWSA-N 0 0 304.272 0.581 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@@H]1CCCS1(=O)=O ZINC000154028700 291210334 /nfs/dbraw/zinc/21/03/34/291210334.db2.gz QOYQKKCRXUFCJC-JTQLQIEISA-N 0 0 323.374 0.023 10 0 DCAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCS(=O)(=O)[C@H](C)C2)C1(C)C ZINC000154085518 291211091 /nfs/dbraw/zinc/21/10/91/291211091.db2.gz RYLRLDDICFTATF-ADEWGFFLSA-N 0 0 301.408 0.883 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000154472481 291214217 /nfs/dbraw/zinc/21/42/17/291214217.db2.gz ARSSQVLXNNLMSQ-CYBMUJFWSA-N 0 0 319.409 0.928 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1cccn1 ZINC000184399414 291215036 /nfs/dbraw/zinc/21/50/36/291215036.db2.gz BMLQSQAHSKSYLP-YPMHNXCESA-N 0 0 322.390 0.864 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCNS(=O)(=O)CC ZINC000155558709 291220479 /nfs/dbraw/zinc/22/04/79/291220479.db2.gz JOBORVBLISCVFK-UHFFFAOYSA-N 0 0 304.372 0.606 10 0 DCAERN C[C@H](CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)CCO ZINC000155778503 291221667 /nfs/dbraw/zinc/22/16/67/291221667.db2.gz QNTVTMCMZUHLRM-MPZDIEGVSA-N 0 0 300.399 0.177 10 0 DCAERN CN(C(=O)c1ccc(S(N)(=O)=O)cc1F)[C@@H]1CCOC1 ZINC000160512251 291238539 /nfs/dbraw/zinc/23/85/39/291238539.db2.gz XFSIPDQQOSVDHG-MRVPVSSYSA-N 0 0 302.327 0.334 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000163052329 291245869 /nfs/dbraw/zinc/24/58/69/291245869.db2.gz KNRAGZIHNDFWOD-NEPJUHHUSA-N 0 0 308.382 0.851 10 0 DCAERN Cc1nc2ccc(C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)cc2o1 ZINC000281442520 216302669 /nfs/dbraw/zinc/30/26/69/216302669.db2.gz FGTXRRQOWRBKKV-SNVBAGLBSA-N 0 0 317.345 0.801 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCO[C@]3(CCOC3)C1)CC2 ZINC000281483299 216331543 /nfs/dbraw/zinc/33/15/43/216331543.db2.gz VPYDDZSDTPKHNL-BLLLJJGKSA-N 0 0 305.378 0.543 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000281514521 216353804 /nfs/dbraw/zinc/35/38/04/216353804.db2.gz HZWWXQZQJVRKOF-MRVPVSSYSA-N 0 0 316.404 0.707 10 0 DCAERN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2c2ncc(F)cn2)O1)N1CCCO1 ZINC000096092256 296045284 /nfs/dbraw/zinc/04/52/84/296045284.db2.gz NGCQNCNZXDPHMR-UPJWGTAASA-N 0 0 322.340 0.906 10 0 DCAERN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)C(F)F)CC1 ZINC000038042575 304113878 /nfs/dbraw/zinc/11/38/78/304113878.db2.gz WRBCWPHTCULQGR-VIFPVBQESA-N 0 0 312.338 0.552 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)CC[C@@H]2C)C1 ZINC000422005397 240120370 /nfs/dbraw/zinc/12/03/70/240120370.db2.gz LJTBBIQDWGLHDH-AVGNSLFASA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccccc1OCCO ZINC000442144347 240539842 /nfs/dbraw/zinc/53/98/42/240539842.db2.gz DQJRSKOZGRYCAP-DGCLKSJQSA-N 0 0 321.377 0.524 10 0 DCAERN COc1ccc(CNC(=O)Cc2cn(C)nc2C)c(OC)n1 ZINC000451875314 240721618 /nfs/dbraw/zinc/72/16/18/240721618.db2.gz ZWWQQBPGXPJZJR-UHFFFAOYSA-N 0 0 304.350 1.000 10 0 DCAERN COc1ccc([C@@H](C)CC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091782765 193106772 /nfs/dbraw/zinc/10/67/72/193106772.db2.gz GGDUUTXJSVPNCX-FZMZJTMJSA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1coc(-c2cccs2)n1 ZINC000091784631 193107790 /nfs/dbraw/zinc/10/77/90/193107790.db2.gz AVXIYQDIBXDWRL-JTQLQIEISA-N 0 0 321.358 0.658 10 0 DCAERN Cc1cc2ccccc2n1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091784080 193108007 /nfs/dbraw/zinc/10/80/07/193108007.db2.gz PNUHHMKQXBNSBH-AWEZNQCLSA-N 0 0 301.346 0.662 10 0 DCAERN CC(C)Cc1ncc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)s1 ZINC000091867075 193119864 /nfs/dbraw/zinc/11/98/64/193119864.db2.gz KKWFEPBDPRABKO-NSHDSACASA-N 0 0 322.434 0.484 10 0 DCAERN Cc1noc([C@@H]2CCCN2C(=O)C2CCN(CC(N)=O)CC2)n1 ZINC000091973751 193135189 /nfs/dbraw/zinc/13/51/89/193135189.db2.gz ACCQRKBSMLZYTH-LBPRGKRZSA-N 0 0 321.381 0.239 10 0 DCAERN Cc1c(NC(=O)COc2cnn(C)c2)cccc1-n1cnnn1 ZINC000567601745 291363593 /nfs/dbraw/zinc/36/35/93/291363593.db2.gz UXPAZOGIFHSDMK-UHFFFAOYSA-N 0 0 313.321 0.722 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000457852697 241043667 /nfs/dbraw/zinc/04/36/67/241043667.db2.gz IFTHICZIQYHDSB-JQWIXIFHSA-N 0 0 314.769 0.843 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(C)o1 ZINC000275310766 212264827 /nfs/dbraw/zinc/26/48/27/212264827.db2.gz YNKWUBSHCFNJBB-QMMMGPOBSA-N 0 0 314.363 0.547 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000408335386 291380866 /nfs/dbraw/zinc/38/08/66/291380866.db2.gz HDRAKBOGOMQQDV-LOWDOPEQSA-N 0 0 318.439 0.682 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000408335387 291380875 /nfs/dbraw/zinc/38/08/75/291380875.db2.gz HDRAKBOGOMQQDV-LPWJVIDDSA-N 0 0 318.439 0.682 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000568344808 291423508 /nfs/dbraw/zinc/42/35/08/291423508.db2.gz ZUDMGKQGIGZRHN-NWDGAFQWSA-N 0 0 319.361 0.746 10 0 DCAERN C[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(N)=O ZINC000249114159 296137166 /nfs/dbraw/zinc/13/71/66/296137166.db2.gz PFLXJIWAHOVVFD-ZDMBXUJBSA-N 0 0 302.396 0.175 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)c1cnn(C)c1 ZINC000249750442 284188131 /nfs/dbraw/zinc/18/81/31/284188131.db2.gz QITAVUQRPXHVNT-WXHSDQCUSA-N 0 0 319.361 0.936 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCN1C(=O)CCC1=O ZINC000178713838 284189776 /nfs/dbraw/zinc/18/97/76/284189776.db2.gz JIGYNIBJZNWKDE-AGIUHOORSA-N 0 0 308.378 0.942 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)CC1=O ZINC000282451574 217004608 /nfs/dbraw/zinc/00/46/08/217004608.db2.gz HIUQGZRICUEUPQ-BNOWGMLFSA-N 0 0 306.337 0.938 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000264302053 203831184 /nfs/dbraw/zinc/83/11/84/203831184.db2.gz VEMUAJDVOYMMNA-RYUDHWBXSA-N 0 0 317.349 0.853 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc2c([nH]c1=O)CCCC2 ZINC000112646834 284241165 /nfs/dbraw/zinc/24/11/65/284241165.db2.gz CYYYHKYZDMMXPF-NSHDSACASA-N 0 0 313.361 0.590 10 0 DCAERN C[C@@H]1CN(CCNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCO1 ZINC000571464142 291516242 /nfs/dbraw/zinc/51/62/42/291516242.db2.gz JDWCUHWFZGFTQV-GFCCVEGCSA-N 0 0 322.409 0.658 10 0 DCAERN Cc1ccc2c(c1)C(=O)N(CCS(=O)(=O)NC(C)C)C2=O ZINC000009704502 181637276 /nfs/dbraw/zinc/63/72/76/181637276.db2.gz PWPJDKIIGJEJBW-UHFFFAOYSA-N 0 0 310.375 0.919 10 0 DCAERN O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CC(CO)C1 ZINC000274852006 211983197 /nfs/dbraw/zinc/98/31/97/211983197.db2.gz RPJAXBJGJKNNJL-ZDUSSCGKSA-N 0 0 306.387 0.652 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CNC(=O)c1cccnc1 ZINC000274756378 211902788 /nfs/dbraw/zinc/90/27/88/211902788.db2.gz HSQZFBBXKIDQSN-CYBMUJFWSA-N 0 0 305.334 0.018 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC(=O)NC1 ZINC000282773014 217240205 /nfs/dbraw/zinc/24/02/05/217240205.db2.gz OYSUCIGVNLPUIN-SWLSCSKDSA-N 0 0 305.382 0.433 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccccc1Br ZINC000015628955 182009559 /nfs/dbraw/zinc/00/95/59/182009559.db2.gz SIFMVAYZOIDHRK-UHFFFAOYSA-N 0 0 324.134 0.938 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCOC2(CCC2)C1 ZINC000188905597 296191707 /nfs/dbraw/zinc/19/17/07/296191707.db2.gz IKLWXATYTIXETJ-UHFFFAOYSA-N 0 0 300.318 0.713 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C)n2)[C@H](C)C1 ZINC000572385002 291565831 /nfs/dbraw/zinc/56/58/31/291565831.db2.gz ZLZMOZBXYNCFIB-GFCCVEGCSA-N 0 0 318.377 0.085 10 0 DCAERN NC(=S)c1cccc(NC(=O)CCn2cccnc2=O)c1 ZINC000019232564 182110295 /nfs/dbraw/zinc/11/02/95/182110295.db2.gz CEJJJHGIBKORDX-UHFFFAOYSA-N 0 0 302.359 0.906 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1nnc2n1CCCC2 ZINC000572903066 291597989 /nfs/dbraw/zinc/59/79/89/291597989.db2.gz SHLGGTYOVGTNJL-OAHLLOKOSA-N 0 0 317.349 0.166 10 0 DCAERN COC(=O)CCNC(=O)CCNC(=O)c1ccc(F)cc1F ZINC000032989297 182686652 /nfs/dbraw/zinc/68/66/52/182686652.db2.gz XYBDQSLNROOAAB-UHFFFAOYSA-N 0 0 314.288 0.764 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)[C@@H]1CCCO1 ZINC000573362941 291627354 /nfs/dbraw/zinc/62/73/54/291627354.db2.gz BZVGJGAWGAEVMF-STQMWFEESA-N 0 0 310.394 0.699 10 0 DCAERN O=C(c1n[nH]c2c1CCCC2)N1CC[C@H](N2CCOCC2)C1 ZINC000172747626 284596770 /nfs/dbraw/zinc/59/67/70/284596770.db2.gz NQRHETHOVMEXKB-LBPRGKRZSA-N 0 0 304.394 0.835 10 0 DCAERN CCO[C@H]1CCCN(S(=O)(=O)c2sc(=O)[nH]c2C)C1 ZINC000042426536 183269234 /nfs/dbraw/zinc/26/92/34/183269234.db2.gz LCHMIHUOYKTUDF-VIFPVBQESA-N 0 0 306.409 0.934 10 0 DCAERN COC[C@@H](O)CN(C)C(=O)c1cncc(Br)c1 ZINC000042499311 183277113 /nfs/dbraw/zinc/27/71/13/183277113.db2.gz GOWSMPLQKRMGJN-JTQLQIEISA-N 0 0 303.156 0.923 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cc1cc(OC)ccc1OC ZINC000104357899 194000963 /nfs/dbraw/zinc/00/09/63/194000963.db2.gz COMSJTUPVVMABQ-CYBMUJFWSA-N 0 0 306.362 0.983 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000104356394 194001019 /nfs/dbraw/zinc/00/10/19/194001019.db2.gz KJHUYWNJONKEHR-HUUCEWRRSA-N 0 0 317.389 0.991 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)NC)CC1=O ZINC000104360859 194002410 /nfs/dbraw/zinc/00/24/10/194002410.db2.gz FOSOQCXTGORLET-RWMBFGLXSA-N 0 0 309.410 0.761 10 0 DCAERN Cc1nnc2ccc(-c3nc([C@H]4CN5CCN4CC5)no3)cn12 ZINC000273983530 211240570 /nfs/dbraw/zinc/24/05/70/211240570.db2.gz LCEOVOHTWXNCKQ-GFCCVEGCSA-N 0 0 311.349 0.760 10 0 DCAERN CN(Cc1nccn1C(F)F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104797618 194042578 /nfs/dbraw/zinc/04/25/78/194042578.db2.gz YNTLYWXCSVDCNT-SNVBAGLBSA-N 0 0 317.340 0.750 10 0 DCAERN O=C(NCCCN1CCOCC1)NC[C@@H](O)Cc1ccccc1 ZINC000105070031 194069347 /nfs/dbraw/zinc/06/93/47/194069347.db2.gz GVBCBYXYNVGWBT-INIZCTEOSA-N 0 0 321.421 0.612 10 0 DCAERN O=C(NCc1ccccc1-n1ccnc1)N1CCNC(=O)CC1 ZINC000105185408 194082621 /nfs/dbraw/zinc/08/26/21/194082621.db2.gz YIODVXBGJYPUSL-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN Cc1noc([C@H](C)N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000105864886 194149997 /nfs/dbraw/zinc/14/99/97/194149997.db2.gz OBJQFZCMJZYPSK-NSHDSACASA-N 0 0 320.401 0.824 10 0 DCAERN CCOCCN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1C ZINC000105835132 194142985 /nfs/dbraw/zinc/14/29/85/194142985.db2.gz UUJJITUXHVZSSH-ZDUSSCGKSA-N 0 0 310.398 0.964 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105853807 194147552 /nfs/dbraw/zinc/14/75/52/194147552.db2.gz YHRUZLIGDDHGSC-GFCCVEGCSA-N 0 0 316.365 0.675 10 0 DCAERN CC[C@@H](C(N)=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894460 194160624 /nfs/dbraw/zinc/16/06/24/194160624.db2.gz JMAJGUHCEXGGTA-ZBFHGGJFSA-N 0 0 321.421 0.308 10 0 DCAERN CCOc1ccnc(N2CCN(CCC(=O)NC(C)C)CC2)n1 ZINC000105868566 194151308 /nfs/dbraw/zinc/15/13/08/194151308.db2.gz KAFDWBZRHWGCIU-UHFFFAOYSA-N 0 0 321.425 0.912 10 0 DCAERN C[C@@H](NC(=O)NC[C@H](C)O)c1ccc(S(C)(=O)=O)cc1 ZINC000047674500 183601709 /nfs/dbraw/zinc/60/17/09/183601709.db2.gz PBEVQPZYFJPDNP-VHSXEESVSA-N 0 0 300.380 0.831 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000106744595 194249091 /nfs/dbraw/zinc/24/90/91/194249091.db2.gz RLBGXXMRPPRCMY-OCCSQVGLSA-N 0 0 319.409 0.964 10 0 DCAERN CC[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000111003690 194379977 /nfs/dbraw/zinc/37/99/77/194379977.db2.gz LADUAMITBQSZMM-QWRGUYRKSA-N 0 0 319.365 0.156 10 0 DCAERN CC[C@H](C(=O)[O-])N1C(=O)NC2(CC[NH+](CC(C)C)CC2)C1=O ZINC000057843334 184056884 /nfs/dbraw/zinc/05/68/84/184056884.db2.gz HSVXECVFFDIHAE-LLVKDONJSA-N 0 0 311.382 0.892 10 0 DCAERN NC(=S)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000061886683 184192192 /nfs/dbraw/zinc/19/21/92/184192192.db2.gz YBYFXUCAXHUPLC-UWVGGRQHSA-N 0 0 303.384 0.954 10 0 DCAERN CNS(=O)(=O)c1cccc(N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000062961583 184262283 /nfs/dbraw/zinc/26/22/83/184262283.db2.gz OXISLXTXTBZGBC-SNVBAGLBSA-N 0 0 304.393 0.194 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000063705597 184286976 /nfs/dbraw/zinc/28/69/76/184286976.db2.gz WNNBGMOKTFDJDL-LBPRGKRZSA-N 0 0 306.366 0.253 10 0 DCAERN CCN1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1=O ZINC000189808817 335045634 /nfs/dbraw/zinc/04/56/34/335045634.db2.gz XPKOYXFTVVWQFW-UHFFFAOYSA-N 0 0 324.425 0.855 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000066098920 184388989 /nfs/dbraw/zinc/38/89/89/184388989.db2.gz LDLLCVJOJWWPEM-UHFFFAOYSA-N 0 0 311.411 0.600 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)N[C@H]1CCc2ncnn2C1 ZINC000112741323 194515885 /nfs/dbraw/zinc/51/58/85/194515885.db2.gz QEJAOBHDXCFQQU-QWHCGFSZSA-N 0 0 323.397 0.478 10 0 DCAERN CCS[C@@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116833938 194775042 /nfs/dbraw/zinc/77/50/42/194775042.db2.gz PKXIPNFYOPLPTE-GHMZBOCLSA-N 0 0 308.469 0.914 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)COC[C@@H]1CCOC1)CC2 ZINC000117806544 194850580 /nfs/dbraw/zinc/85/05/80/194850580.db2.gz YZSJNXJWEFGEPH-VXGBXAGGSA-N 0 0 308.382 0.325 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000174169780 252596481 /nfs/dbraw/zinc/59/64/81/252596481.db2.gz YLDVGPIXRFDDJQ-OLZOCXBDSA-N 0 0 320.397 0.636 10 0 DCAERN C[C@@H]1[C@@H](O)CCCN1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333327429 252706666 /nfs/dbraw/zinc/70/66/66/252706666.db2.gz CAYHWFULUZGSOR-ZZVYKPCYSA-N 0 0 308.382 0.805 10 0 DCAERN Cc1nc2n(n1)CCN(C(=O)N[C@@H](C)C(=O)N1CCCCC1)C2 ZINC000333464107 252725996 /nfs/dbraw/zinc/72/59/96/252725996.db2.gz QFSNCTRUCAQOAM-NSHDSACASA-N 0 0 320.397 0.513 10 0 DCAERN CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333918516 252775854 /nfs/dbraw/zinc/77/58/54/252775854.db2.gz OHNVKIJSNIZMJB-XQHKEYJVSA-N 0 0 300.424 0.915 10 0 DCAERN c1c2n(nc1-c1nc([C@H]3CN4CCN3CC4)no1)CCCC2 ZINC000333865425 252770408 /nfs/dbraw/zinc/77/04/08/252770408.db2.gz SPTAQTMSLSKLSU-CYBMUJFWSA-N 0 0 300.366 0.942 10 0 DCAERN CSCCCC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000119680546 195016162 /nfs/dbraw/zinc/01/61/62/195016162.db2.gz ZNBFXIHGUWAXID-UHFFFAOYSA-N 0 0 308.469 0.917 10 0 DCAERN CCN(C(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1CCOC1 ZINC000336814497 252795866 /nfs/dbraw/zinc/79/58/66/252795866.db2.gz FTOQEKWIMYKLJP-SECBINFHSA-N 0 0 304.393 0.647 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@@H]21 ZINC000286405515 218968927 /nfs/dbraw/zinc/96/89/27/218968927.db2.gz OATLFUKHLJFDGS-GJZGRUSLSA-N 0 0 308.353 0.863 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1C(=O)c1ccc2nnc(C)n2c1 ZINC000344629419 253809106 /nfs/dbraw/zinc/80/91/06/253809106.db2.gz MXYBMUNRYHSHER-OLZOCXBDSA-N 0 0 304.350 0.914 10 0 DCAERN O=C(Cn1cnnn1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115219841 220443677 /nfs/dbraw/zinc/44/36/77/220443677.db2.gz ALOBXCDHGQTBKO-UHFFFAOYSA-N 0 0 305.313 0.882 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000347458522 254158694 /nfs/dbraw/zinc/15/86/94/254158694.db2.gz YWNAMVOLUZGPDJ-ZETCQYMHSA-N 0 0 304.393 0.801 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H](CO)O1 ZINC000347715229 254181921 /nfs/dbraw/zinc/18/19/21/254181921.db2.gz ZTSVLWILLYINEQ-CMPLNLGQSA-N 0 0 304.350 0.637 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCOC(C)(C)C2)[C@@H]1CO ZINC000408121776 296395088 /nfs/dbraw/zinc/39/50/88/296395088.db2.gz FWPUGKNPQCUXOC-VXGBXAGGSA-N 0 0 306.428 0.435 10 0 DCAERN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350616060 254318940 /nfs/dbraw/zinc/31/89/40/254318940.db2.gz NEDPXUBHOSOYFD-IUCAKERBSA-N 0 0 320.798 0.901 10 0 DCAERN C[C@H](CNC(=O)c1ccc(Br)o1)S(N)(=O)=O ZINC000350630348 254321708 /nfs/dbraw/zinc/32/17/08/254321708.db2.gz ZQYKFSPKOFBALT-RXMQYKEDSA-N 0 0 311.157 0.449 10 0 DCAERN CN(C[C@@H]1C[C@@H](F)CN1Cc1nccn1C)C(=O)[C@@H]1CCCO1 ZINC000351946730 254382786 /nfs/dbraw/zinc/38/27/86/254382786.db2.gz HXPWGTYCSKLOFC-RDBSUJKOSA-N 0 0 324.400 0.970 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000352090945 254397429 /nfs/dbraw/zinc/39/74/29/254397429.db2.gz FZCSUIUFOOTRGO-GFCCVEGCSA-N 0 0 303.353 0.797 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000155046804 533196331 /nfs/dbraw/zinc/19/63/31/533196331.db2.gz DDLHCUWYLFQIIF-HZSPNIEDSA-N 0 0 308.426 0.733 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000185208611 285299103 /nfs/dbraw/zinc/29/91/03/285299103.db2.gz VCXFGBOURLARPF-GDBMZVCRSA-N 0 0 311.426 0.030 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC(C)(C)O1 ZINC000408029832 285302218 /nfs/dbraw/zinc/30/22/18/285302218.db2.gz YZWLTYLLAYQNMU-NEPJUHHUSA-N 0 0 306.428 0.841 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)NCc2cccn2C)nn1 ZINC000289513377 221031914 /nfs/dbraw/zinc/03/19/14/221031914.db2.gz ARUINBOPJRBVCD-CHWSQXEVSA-N 0 0 305.338 0.133 10 0 DCAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000408392688 300016530 /nfs/dbraw/zinc/01/65/30/300016530.db2.gz GMXIVURATARICR-JTQLQIEISA-N 0 0 319.427 0.120 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000173963199 291945577 /nfs/dbraw/zinc/94/55/77/291945577.db2.gz UXTMAKKZCLDQTM-PWSUYJOCSA-N 0 0 322.365 0.101 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cnoc3C)C[C@H]2N1C(C)C ZINC000251924250 257107347 /nfs/dbraw/zinc/10/73/47/257107347.db2.gz BUWLKSFYKOFGJT-FPMFFAJLSA-N 0 0 320.393 0.652 10 0 DCAERN Cn1cc(CN2CC[C@@H]3C[C@@H](C(=O)NC4CC4)O[C@H]3C2)cn1 ZINC000248153484 257108524 /nfs/dbraw/zinc/10/85/24/257108524.db2.gz UZULAAXOSCRXAI-SNPRPXQTSA-N 0 0 304.394 0.678 10 0 DCAERN CN1C[C@@H]2CCN(c3ncc(F)cn3)CC[C@@H]2S1(=O)=O ZINC000248120870 257108603 /nfs/dbraw/zinc/10/86/03/257108603.db2.gz KEDAMBBCGFVYTN-ONGXEEELSA-N 0 0 300.359 0.476 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccno3)C[C@H]2N1C(C)C ZINC000248030060 257110723 /nfs/dbraw/zinc/11/07/23/257110723.db2.gz XGIPXFVRJWDISS-SDDRHHMPSA-N 0 0 306.366 0.344 10 0 DCAERN CN(C)C(=O)CO[C@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247993404 257113068 /nfs/dbraw/zinc/11/30/68/257113068.db2.gz LYQVOMGVVMVANO-OAHLLOKOSA-N 0 0 318.377 0.965 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408104845 285351285 /nfs/dbraw/zinc/35/12/85/285351285.db2.gz RHDYHKOZJZWILC-CMPLNLGQSA-N 0 0 310.316 0.623 10 0 DCAERN COc1ccc(C)cc1NC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187709642 533397653 /nfs/dbraw/zinc/39/76/53/533397653.db2.gz BAYJVTIXLAUGIZ-CQSZACIVSA-N 0 0 321.421 0.941 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000155201683 533579467 /nfs/dbraw/zinc/57/94/67/533579467.db2.gz QBKXUFXPJULMOF-CYBMUJFWSA-N 0 0 313.442 0.900 10 0 DCAERN COc1cc(CC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)ccc1C ZINC000284488150 131085003 /nfs/dbraw/zinc/08/50/03/131085003.db2.gz BIHAHWUGLHNQPV-STQMWFEESA-N 0 0 306.362 0.647 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000284562520 131092648 /nfs/dbraw/zinc/09/26/48/131092648.db2.gz JOXVYJDKTBBTTG-STQMWFEESA-N 0 0 318.377 0.618 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCO3)C[C@H]1C(N)=O ZINC000284700352 131105437 /nfs/dbraw/zinc/10/54/37/131105437.db2.gz JTPIFXUSMFLFME-ZWNOBZJWSA-N 0 0 324.402 0.754 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000284774334 131110330 /nfs/dbraw/zinc/11/03/30/131110330.db2.gz PVNQKUUUNYOQDK-MWLCHTKSSA-N 0 0 300.355 0.876 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284785008 131111018 /nfs/dbraw/zinc/11/10/18/131111018.db2.gz QVGUSYDRMJOFLL-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000284804326 131112562 /nfs/dbraw/zinc/11/25/62/131112562.db2.gz KSRIALFTOHQXBP-UONOGXRCSA-N 0 0 316.361 0.553 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1F ZINC000284819110 131113175 /nfs/dbraw/zinc/11/31/75/131113175.db2.gz UQTBFLXVHMIQRW-MWLCHTKSSA-N 0 0 300.355 0.876 10 0 DCAERN O=C(COCC(F)(F)F)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000285109890 131138538 /nfs/dbraw/zinc/13/85/38/131138538.db2.gz ZQOCXPOOUKDEBT-LLVKDONJSA-N 0 0 322.287 0.211 10 0 DCAERN O=C(NC[C@@H]1CC=CCC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000285349677 131159551 /nfs/dbraw/zinc/15/95/51/131159551.db2.gz GKQHYAYJMCRFJY-CZUORRHYSA-N 0 0 308.378 0.477 10 0 DCAERN Cc1ccc(F)c(OCC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285642323 131188803 /nfs/dbraw/zinc/18/88/03/131188803.db2.gz UCQWIZWLHWZDIH-OAHLLOKOSA-N 0 0 310.325 0.352 10 0 DCAERN O=S(=O)(NC[C@]1(CCO)CCOC1)c1ccc(F)cc1 ZINC000120179722 132142318 /nfs/dbraw/zinc/14/23/18/132142318.db2.gz OCKVZRVHTZCBDZ-ZDUSSCGKSA-N 0 0 303.355 0.893 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2cncc(F)c2)CCS1(=O)=O ZINC000120925593 132147101 /nfs/dbraw/zinc/14/71/01/132147101.db2.gz GHLQAMKTQMNRSQ-SNVBAGLBSA-N 0 0 300.355 0.799 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCn1nc(C)cc1C ZINC000121895670 132160131 /nfs/dbraw/zinc/16/01/31/132160131.db2.gz MSEYHPQWTBKJKS-ZDUSSCGKSA-N 0 0 310.423 0.928 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCn1nc(C)cc1C ZINC000121895810 132160427 /nfs/dbraw/zinc/16/04/27/132160427.db2.gz MSEYHPQWTBKJKS-CYBMUJFWSA-N 0 0 310.423 0.928 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000191330322 285571593 /nfs/dbraw/zinc/57/15/93/285571593.db2.gz OZVPGSBMDAOBKG-UWVGGRQHSA-N 0 0 317.349 0.950 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152302224 545822791 /nfs/dbraw/zinc/82/27/91/545822791.db2.gz MVUNSYVIFCKXFH-TUAOUCFPSA-N 0 0 300.424 0.965 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000186900559 292032343 /nfs/dbraw/zinc/03/23/43/292032343.db2.gz PPKGOMHAUYMFKF-NSHDSACASA-N 0 0 324.377 0.983 10 0 DCAERN COC(=O)c1nc(NCCS(=O)(=O)N(C)C)sc1C ZINC000231028758 292036037 /nfs/dbraw/zinc/03/60/37/292036037.db2.gz KLRCZOUEUDCQEB-UHFFFAOYSA-N 0 0 307.397 0.541 10 0 DCAERN Cc1ccc2c(c1O)N[C@H](O)[C@H]1CC(/C=C\C(N)=O)=CN1C2=O ZINC000011677302 395686795 /nfs/dbraw/zinc/68/67/95/395686795.db2.gz VGQOVCHZGQWAOI-WXKYGPJESA-N 0 0 315.329 0.584 10 0 in-man DCAERN CSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 ZINC000012204522 395687236 /nfs/dbraw/zinc/68/72/36/395687236.db2.gz IZAYCUVVSNEMJD-CQSZACIVSA-N 0 0 321.446 0.856 10 0 DCAERN CC(=O)N(C)[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000005726104 395682823 /nfs/dbraw/zinc/68/28/23/395682823.db2.gz BGOWELPNYQFSKL-NZEXEKPDSA-N 0 0 315.366 0.861 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000089429456 395711621 /nfs/dbraw/zinc/71/16/21/395711621.db2.gz XFFUHVZDQOBLPQ-WPRPVWTQSA-N 0 0 305.334 0.678 10 0 DCAERN CS(=O)(=O)c1ccc(N2C[C@@H](c3nnc(N)o3)CC2=O)cc1 ZINC000033274195 395717092 /nfs/dbraw/zinc/71/70/92/395717092.db2.gz UDJZAOKHRAAQJL-QMMMGPOBSA-N 0 0 322.346 0.576 10 0 DCAERN COC(=O)[C@H](CC(C)C)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000035177082 395719428 /nfs/dbraw/zinc/71/94/28/395719428.db2.gz ABFWKTQLDXUCQT-UTUOFQBUSA-N 0 0 322.427 0.518 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000028083433 395695814 /nfs/dbraw/zinc/69/58/14/395695814.db2.gz ORVWQAOENQQZIZ-QWRGUYRKSA-N 0 0 310.441 0.130 10 0 DCAERN C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000037009191 395725868 /nfs/dbraw/zinc/72/58/68/395725868.db2.gz HSJACXMQIBUIGH-SECBINFHSA-N 0 0 308.363 0.559 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCO[C@@H]1C ZINC000092349604 395730636 /nfs/dbraw/zinc/73/06/36/395730636.db2.gz XJHKCPZCYCYGJJ-ZWNOBZJWSA-N 0 0 324.402 0.909 10 0 DCAERN O=C1N[C@H](c2cc(O)ccc2Br)N2CCOC[C@@H]12 ZINC000093884237 395739357 /nfs/dbraw/zinc/73/93/57/395739357.db2.gz NAGJCHFOPVPFPF-QWRGUYRKSA-N 0 0 313.151 0.984 10 0 DCAERN C[C@@H]1CCN(c2cnn(C)c(=O)c2Br)C[C@@H]1O ZINC000092977769 395734896 /nfs/dbraw/zinc/73/48/96/395734896.db2.gz XHQIWAXDQRIEMF-APPZFPTMSA-N 0 0 302.172 0.750 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](C(N)=O)C3)CC2=O)cc1 ZINC000041127352 395735716 /nfs/dbraw/zinc/73/57/16/395735716.db2.gz PVUONSIGMHHOOI-QWHCGFSZSA-N 0 0 315.373 0.682 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)c1ccc(-n2cncn2)cc1 ZINC000042502845 395745776 /nfs/dbraw/zinc/74/57/76/395745776.db2.gz LXQQYUSKPNRSJC-UHFFFAOYSA-N 0 0 323.360 0.778 10 0 DCAERN CCOC(=O)NCC(=O)NCc1cccnc1-n1ccnc1 ZINC000042497667 395745923 /nfs/dbraw/zinc/74/59/23/395745923.db2.gz WEKAVHGPFOCNMQ-UHFFFAOYSA-N 0 0 303.322 0.630 10 0 DCAERN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cncc(F)c2)CN1C ZINC000096138857 395746052 /nfs/dbraw/zinc/74/60/52/395746052.db2.gz ULNKVVJJGZUSLZ-KGLIPLIRSA-N 0 0 322.384 0.892 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000043273123 395752208 /nfs/dbraw/zinc/75/22/08/395752208.db2.gz UBYLAQFDRIALPE-AOOOYVTPSA-N 0 0 305.425 0.895 10 0 DCAERN Cc1cccc(CNS(=O)(=O)c2cccc(C(N)=O)c2)n1 ZINC000097001217 395755290 /nfs/dbraw/zinc/75/52/90/395755290.db2.gz DACITEIJCCKMMJ-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN O=C([O-])C[N@@H+]1CCC2(CCN(c3ncccn3)CC2)[C@@H](CO)C1 ZINC000097402288 395757660 /nfs/dbraw/zinc/75/76/60/395757660.db2.gz WOCQATHBYQICGW-CYBMUJFWSA-N 0 0 320.393 0.462 10 0 DCAERN CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000043066694 395751807 /nfs/dbraw/zinc/75/18/07/395751807.db2.gz SWQGRBQWPLZFFS-CYBMUJFWSA-N 0 0 324.425 0.507 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)NCCCN2C(=O)CNC2=O)n1 ZINC000108281322 395787984 /nfs/dbraw/zinc/78/79/84/395787984.db2.gz NLTTVUZGGCSLMV-NSHDSACASA-N 0 0 307.354 0.119 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CCc2ccncc2)cc1 ZINC000044902973 395759534 /nfs/dbraw/zinc/75/95/34/395759534.db2.gz BURWZMNQISTHMA-UHFFFAOYSA-N 0 0 319.386 0.978 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC(=O)Nc2cccnc2)C1 ZINC000101580889 395765605 /nfs/dbraw/zinc/76/56/05/395765605.db2.gz QPCBJRHOTOXBKM-NSHDSACASA-N 0 0 312.395 0.586 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)C[C@H](C)O1 ZINC000102662011 395771426 /nfs/dbraw/zinc/77/14/26/395771426.db2.gz VWDGFHMMRSCSEZ-RYUDHWBXSA-N 0 0 316.427 0.296 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1csc(C(F)(F)F)n1 ZINC000193629360 395774466 /nfs/dbraw/zinc/77/44/66/395774466.db2.gz SAVFXDUBHSSAGW-MRVPVSSYSA-N 0 0 320.340 0.892 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)N1CCOCC1 ZINC000046407390 395776258 /nfs/dbraw/zinc/77/62/58/395776258.db2.gz IXTYKCHLPUQEBJ-HZSPNIEDSA-N 0 0 319.471 0.519 10 0 DCAERN C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCOCC1 ZINC000046407392 395776564 /nfs/dbraw/zinc/77/65/64/395776564.db2.gz IXTYKCHLPUQEBJ-MGPQQGTHSA-N 0 0 319.471 0.519 10 0 DCAERN CCOC(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104332245 395778418 /nfs/dbraw/zinc/77/84/18/395778418.db2.gz YQLFJHGJDZBCNM-UHFFFAOYSA-N 0 0 323.740 0.951 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000194615970 395802693 /nfs/dbraw/zinc/80/26/93/395802693.db2.gz WFECXAPWVJZIIH-HNNXBMFYSA-N 0 0 306.362 0.715 10 0 DCAERN CC[C@@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C[C@H](C)O1 ZINC000111273891 395805809 /nfs/dbraw/zinc/80/58/09/395805809.db2.gz ZKEDNKPKUYYANQ-SGMGOOAPSA-N 0 0 311.426 0.611 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000194724419 395806036 /nfs/dbraw/zinc/80/60/36/395806036.db2.gz ROXPXUKDLJQZCF-ZFWWWQNUSA-N 0 0 321.352 0.766 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)CCCOC)C1 ZINC000111336656 395807270 /nfs/dbraw/zinc/80/72/70/395807270.db2.gz LEGSNTQQGPXRIX-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN NC(=O)NCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111630368 395810472 /nfs/dbraw/zinc/81/04/72/395810472.db2.gz LCCYHBUMPNMBQH-VIFPVBQESA-N 0 0 310.741 0.230 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000195102810 395816334 /nfs/dbraw/zinc/81/63/34/395816334.db2.gz HJRORASMHLDQNU-AAEUAGOBSA-N 0 0 318.377 0.745 10 0 DCAERN CCCCCN(CCO)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000112438802 395818131 /nfs/dbraw/zinc/81/81/31/395818131.db2.gz PJPIMPOQIOLAPT-CQSZACIVSA-N 0 0 301.431 0.901 10 0 DCAERN O=C(N[C@H]1COc2ccccc2C1)N[C@H]1CCc2ncnn2C1 ZINC000112744412 395824141 /nfs/dbraw/zinc/82/41/41/395824141.db2.gz VSFSDLYIYIFYAM-QWHCGFSZSA-N 0 0 313.361 0.896 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)N1CCNC(=O)CC1 ZINC000195324936 395824885 /nfs/dbraw/zinc/82/48/85/395824885.db2.gz SULLSSHXZOWCFZ-UHFFFAOYSA-N 0 0 311.288 0.043 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195437866 395827160 /nfs/dbraw/zinc/82/71/60/395827160.db2.gz QMPKTCPAXGGJAK-GFCCVEGCSA-N 0 0 313.423 0.978 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000113402723 395829943 /nfs/dbraw/zinc/82/99/43/395829943.db2.gz ORNBYDIJRWJIOI-UHFFFAOYSA-N 0 0 322.340 0.561 10 0 DCAERN C[C@H](CC1CC1)NC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000195506819 395830812 /nfs/dbraw/zinc/83/08/12/395830812.db2.gz JRIHUYPHAPEUKV-SNVBAGLBSA-N 0 0 303.428 0.885 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccccc2)C1 ZINC000114526733 395835649 /nfs/dbraw/zinc/83/56/49/395835649.db2.gz CHOWQQZGBDQFHU-GOEBONIOSA-N 0 0 307.394 0.524 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)NCC[C@@H](C)O)cc1F ZINC000114821524 395837131 /nfs/dbraw/zinc/83/71/31/395837131.db2.gz QQONSCZILWRVCT-LLVKDONJSA-N 0 0 311.357 0.934 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116115886 395842008 /nfs/dbraw/zinc/84/20/08/395842008.db2.gz HMRPOLZIYQXUNN-KBPBESRZSA-N 0 0 304.394 0.995 10 0 DCAERN Cc1nc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cs1 ZINC000116351197 395844016 /nfs/dbraw/zinc/84/40/16/395844016.db2.gz YIPNAJQKHJBSNG-UHFFFAOYSA-N 0 0 318.468 0.766 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)cn1 ZINC000116466427 395844043 /nfs/dbraw/zinc/84/40/43/395844043.db2.gz IJVWJGJIIKGTMZ-LLVKDONJSA-N 0 0 324.340 0.933 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000219232234 395844747 /nfs/dbraw/zinc/84/47/47/395844747.db2.gz NKKHKJQLMZQEHL-PSASIEDQSA-N 0 0 300.405 0.838 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000118115581 395860610 /nfs/dbraw/zinc/86/06/10/395860610.db2.gz YRNVGTNVDCZDDY-AWEZNQCLSA-N 0 0 305.378 0.634 10 0 DCAERN COCC[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000116682983 395844896 /nfs/dbraw/zinc/84/48/96/395844896.db2.gz SSLIOQAJUCMHMJ-YTEVENLXSA-N 0 0 324.402 0.656 10 0 DCAERN Cc1ccc(C)c(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000116833241 395847097 /nfs/dbraw/zinc/84/70/97/395847097.db2.gz MOWXYLCSUCEKLR-CQSZACIVSA-N 0 0 310.419 0.996 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000116834860 395847740 /nfs/dbraw/zinc/84/77/40/395847740.db2.gz FQGHOIRDLNWNSZ-ZDUSSCGKSA-N 0 0 311.407 0.554 10 0 DCAERN Cc1nn(C)c(Cl)c1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890435 395849088 /nfs/dbraw/zinc/84/90/88/395849088.db2.gz QICJDPWDSMHECM-VIFPVBQESA-N 0 0 306.819 0.505 10 0 DCAERN CC[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)CCN1CCOC ZINC000117302180 395852063 /nfs/dbraw/zinc/85/20/63/395852063.db2.gz OQCUDTSMFPEXRE-HNNXBMFYSA-N 0 0 319.405 0.968 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2cccn2)C[C@@H]1C ZINC000117475599 395853271 /nfs/dbraw/zinc/85/32/71/395853271.db2.gz KDCRBQFCZHJXSS-AWEZNQCLSA-N 0 0 309.414 0.635 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000117642050 395853812 /nfs/dbraw/zinc/85/38/12/395853812.db2.gz NOIGLLHYZKKFCT-ZDUSSCGKSA-N 0 0 313.361 0.988 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000117921219 395856319 /nfs/dbraw/zinc/85/63/19/395856319.db2.gz DAUGYLKPUUMISZ-ZJUUUORDSA-N 0 0 306.409 0.881 10 0 DCAERN Cc1cnn(CCNC(=O)NC[C@@H](C(C)C)N2CCOCC2)c1 ZINC000118057257 395857148 /nfs/dbraw/zinc/85/71/48/395857148.db2.gz KSIWKZAHGCHQQX-HNNXBMFYSA-N 0 0 323.441 0.848 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H](C)CO1 ZINC000047474938 395793755 /nfs/dbraw/zinc/79/37/55/395793755.db2.gz CKSIFFCUGYTWFP-WDEREUQCSA-N 0 0 317.345 0.326 10 0 DCAERN CCNC(=O)CN(CCc1ccc(F)cc1)CC(=O)NCC ZINC000047613568 395796806 /nfs/dbraw/zinc/79/68/06/395796806.db2.gz FTCPMVIWLITKJF-UHFFFAOYSA-N 0 0 309.385 0.942 10 0 DCAERN CCc1cccc2c(CC(=O)NCCNS(C)(=O)=O)c[nH]c21 ZINC000109252562 395796979 /nfs/dbraw/zinc/79/69/79/395796979.db2.gz ZFECKQBRFXHQOI-UHFFFAOYSA-N 0 0 323.418 0.938 10 0 DCAERN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000224334375 395857890 /nfs/dbraw/zinc/85/78/90/395857890.db2.gz IXMYOFVXZDUQBH-NEPJUHHUSA-N 0 0 308.334 0.079 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOC2)c(F)c1 ZINC000109552061 395798249 /nfs/dbraw/zinc/79/82/49/395798249.db2.gz ZSAOXSRXFIDPLA-MRVPVSSYSA-N 0 0 302.327 0.382 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000245428776 395929098 /nfs/dbraw/zinc/92/90/98/395929098.db2.gz JKNAJTAPNOIGGP-OLZOCXBDSA-N 0 0 320.455 0.236 10 0 DCAERN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CCc1ccnn1C ZINC000124675530 395901832 /nfs/dbraw/zinc/90/18/32/395901832.db2.gz ZMUKBDTXTYIOOJ-AWEZNQCLSA-N 0 0 323.393 0.923 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)CN2CC(=O)NC2=O)cc1 ZINC000129924150 395921224 /nfs/dbraw/zinc/92/12/24/395921224.db2.gz ZJDVKEXHDKDCNL-GFCCVEGCSA-N 0 0 303.362 0.936 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)Nc2cccnn2)cc1 ZINC000240656099 395923939 /nfs/dbraw/zinc/92/39/39/395923939.db2.gz AGZXCKIXHWCWID-UHFFFAOYSA-N 0 0 307.335 0.446 10 0 DCAERN CCN1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 ZINC000244201508 395924499 /nfs/dbraw/zinc/92/44/99/395924499.db2.gz VOYCPIDBFYRDMO-UHFFFAOYSA-N 0 0 305.382 0.091 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000118425556 395862236 /nfs/dbraw/zinc/86/22/36/395862236.db2.gz WHDVQPDOGLLJLP-UHFFFAOYSA-N 0 0 317.411 0.452 10 0 DCAERN Cc1nc(CNC(=O)CCNC(=O)Cc2ccccc2)no1 ZINC000118647678 395862906 /nfs/dbraw/zinc/86/29/06/395862906.db2.gz RKFNKNZCJQXBGO-UHFFFAOYSA-N 0 0 302.334 0.743 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000118991765 395866300 /nfs/dbraw/zinc/86/63/00/395866300.db2.gz VGLSWIIBYDEZAN-ZDUSSCGKSA-N 0 0 307.398 0.994 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CCC(O)CC1 ZINC000227565586 395869302 /nfs/dbraw/zinc/86/93/02/395869302.db2.gz UTNJNHMHYPORHL-HTAVTVPLSA-N 0 0 304.412 0.078 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)C[C@@H]1C ZINC000119413243 395870676 /nfs/dbraw/zinc/87/06/76/395870676.db2.gz ZRQRCUHPHVIPNX-ZDUSSCGKSA-N 0 0 320.393 0.508 10 0 DCAERN O=C(CCOCc1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000119574185 395872109 /nfs/dbraw/zinc/87/21/09/395872109.db2.gz HSVDXPNJEKNIIX-INIZCTEOSA-N 0 0 322.405 0.403 10 0 DCAERN CC[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(C)nn3C)C2=O)C1=O ZINC000272137734 395872743 /nfs/dbraw/zinc/87/27/43/395872743.db2.gz LFVHORKYUCKDMI-WDEREUQCSA-N 0 0 319.365 0.554 10 0 DCAERN CSCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000052965320 395874387 /nfs/dbraw/zinc/87/43/87/395874387.db2.gz LWDOYCFKDYDJMN-UHFFFAOYSA-N 0 0 313.467 0.896 10 0 DCAERN CCCCOCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119939752 395878774 /nfs/dbraw/zinc/87/87/74/395878774.db2.gz KBEHNSOZVBKSCO-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cn1 ZINC000120046529 395880577 /nfs/dbraw/zinc/88/05/77/395880577.db2.gz YJGQLCDURQTYGE-CYBMUJFWSA-N 0 0 314.349 0.784 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)C[C@@H](C)O1 ZINC000120593529 395882219 /nfs/dbraw/zinc/88/22/19/395882219.db2.gz AZOUZKCCMFNZGM-NXEZZACHSA-N 0 0 304.350 0.928 10 0 DCAERN C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1N1CCOCC1 ZINC000273625960 395934340 /nfs/dbraw/zinc/93/43/40/395934340.db2.gz RRKPTPJHWVBIRX-JQWIXIFHSA-N 0 0 307.350 0.171 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000245673535 395934502 /nfs/dbraw/zinc/93/45/02/395934502.db2.gz FKGFTKOUGKUYAL-NHCYSSNCSA-N 0 0 312.391 0.605 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCCO ZINC000245883009 395937728 /nfs/dbraw/zinc/93/77/28/395937728.db2.gz VROXKLBUXWCTBV-VXGBXAGGSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245942886 395939269 /nfs/dbraw/zinc/93/92/69/395939269.db2.gz VODXAEMIAUDUGV-UWVGGRQHSA-N 0 0 322.331 0.543 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135311955 395939244 /nfs/dbraw/zinc/93/92/44/395939244.db2.gz GNOAFRAYILKWTQ-LBPRGKRZSA-N 0 0 319.409 0.724 10 0 DCAERN CN1CC(=O)N(CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)C1=O ZINC000246249775 395944932 /nfs/dbraw/zinc/94/49/32/395944932.db2.gz FGITXSJMMICZFD-APHBMKBZSA-N 0 0 313.357 0.725 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248885192 395999467 /nfs/dbraw/zinc/99/94/67/395999467.db2.gz QEQJACFEESHQMB-OLZOCXBDSA-N 0 0 320.389 0.791 10 0 DCAERN O=C([C@@H]1CCCOC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136417791 395947058 /nfs/dbraw/zinc/94/70/58/395947058.db2.gz ILFVSQWHBVTGTM-GFCCVEGCSA-N 0 0 316.365 0.200 10 0 DCAERN Cc1cc(C)cc(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000246460880 395950833 /nfs/dbraw/zinc/95/08/33/395950833.db2.gz OCQVJNNPYQFMPZ-ZFWWWQNUSA-N 0 0 308.378 0.229 10 0 DCAERN Cc1cc(C)cc(OC[C@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000246460859 395950882 /nfs/dbraw/zinc/95/08/82/395950882.db2.gz OCQVJNNPYQFMPZ-HIFRSBDPSA-N 0 0 308.378 0.229 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CCCOC2)C1 ZINC000276469215 395999747 /nfs/dbraw/zinc/99/97/47/395999747.db2.gz NMLJFPQURKWTIG-KBPBESRZSA-N 0 0 319.409 0.871 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000246500022 395951394 /nfs/dbraw/zinc/95/13/94/395951394.db2.gz SCNPMLWHCZIPPX-HZSPNIEDSA-N 0 0 318.439 0.843 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553400 395952755 /nfs/dbraw/zinc/95/27/55/395952755.db2.gz LHDTWHFFJDZQKJ-PBHICJAKSA-N 0 0 319.405 0.450 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000246638476 395955301 /nfs/dbraw/zinc/95/53/01/395955301.db2.gz OQAPFFUCJQUCTL-JSGCOSHPSA-N 0 0 306.410 0.897 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccccc1Cl ZINC000246770764 395956713 /nfs/dbraw/zinc/95/67/13/395956713.db2.gz PWYUMWZHYVPCSX-PWSUYJOCSA-N 0 0 314.769 0.266 10 0 DCAERN Cc1ccc(N2CC[C@@H](N3CCO[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000246796168 395957968 /nfs/dbraw/zinc/95/79/68/395957968.db2.gz PGQINHHSWMYEJA-ZIAGYGMSSA-N 0 0 303.362 0.286 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000246810237 395958188 /nfs/dbraw/zinc/95/81/88/395958188.db2.gz PVJODAHNAIJYTD-CYZMBNFOSA-N 0 0 318.377 0.823 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000246844906 395959421 /nfs/dbraw/zinc/95/94/21/395959421.db2.gz BCNBCQFPWLSHGN-LZWOXQAQSA-N 0 0 311.426 0.654 10 0 DCAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NC3CCCC3)CCO2)[nH]1 ZINC000246841287 395959476 /nfs/dbraw/zinc/95/94/76/395959476.db2.gz DMHZWOQDDHOEMY-ZWNOBZJWSA-N 0 0 307.398 0.934 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CCO2)[nH]1 ZINC000246908657 395961182 /nfs/dbraw/zinc/96/11/82/395961182.db2.gz IGOHUYKUTXDFQC-BZPMIXESSA-N 0 0 321.425 0.991 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000246985409 395962518 /nfs/dbraw/zinc/96/25/18/395962518.db2.gz FUOXZYVRJZRFMF-STQMWFEESA-N 0 0 314.430 0.393 10 0 DCAERN Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)[C@H](C)O)C3=O)cn1 ZINC000144520438 395963045 /nfs/dbraw/zinc/96/30/45/395963045.db2.gz RWNCXMGICOIFAI-RYUDHWBXSA-N 0 0 316.361 0.568 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000274682376 395966966 /nfs/dbraw/zinc/96/69/66/395966966.db2.gz SNJGOJONXSGDJW-VIFPVBQESA-N 0 0 313.301 0.591 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247127370 395967088 /nfs/dbraw/zinc/96/70/88/395967088.db2.gz QBQNGOPMHYXOES-GMXVVIOVSA-N 0 0 304.412 0.078 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000247197434 395968669 /nfs/dbraw/zinc/96/86/69/395968669.db2.gz YMMCCUPSMAQEEX-DGCLKSJQSA-N 0 0 310.350 0.639 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000247243686 395969836 /nfs/dbraw/zinc/96/98/36/395969836.db2.gz TYKNMIWHEXAVSM-ZSMADZGOSA-N 0 0 315.439 0.598 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000150771917 395972890 /nfs/dbraw/zinc/97/28/90/395972890.db2.gz IOPWOEBOMKNSQR-KGLIPLIRSA-N 0 0 312.410 0.945 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCC1=O ZINC000247452928 395973980 /nfs/dbraw/zinc/97/39/80/395973980.db2.gz ZKXCOYOFFUQGOF-UXIGCNINSA-N 0 0 303.362 0.565 10 0 DCAERN C[C@H](O)[C@@](C)(CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000248997010 396000973 /nfs/dbraw/zinc/00/09/73/396000973.db2.gz KFUMTJVKLRNKBG-RVSPLBMKSA-N 0 0 304.390 0.869 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000150939232 395975865 /nfs/dbraw/zinc/97/58/65/395975865.db2.gz VCYNFLUNRIQRGY-CQSZACIVSA-N 0 0 322.409 0.349 10 0 DCAERN CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000063737447 395980750 /nfs/dbraw/zinc/98/07/50/395980750.db2.gz DZPDBSXYGCOQSV-VIFPVBQESA-N 0 0 319.365 0.484 10 0 DCAERN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000248124270 395982362 /nfs/dbraw/zinc/98/23/62/395982362.db2.gz NSNKLMWEJBCVBO-VXGBXAGGSA-N 0 0 303.428 0.347 10 0 DCAERN O=C(CNC(=O)N1CCN(CC(F)F)CC1)N1CCCCC1 ZINC000064219771 395985104 /nfs/dbraw/zinc/98/51/04/395985104.db2.gz RHDDMKXFAQIWHV-UHFFFAOYSA-N 0 0 318.368 0.591 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000248563870 395989396 /nfs/dbraw/zinc/98/93/96/395989396.db2.gz OTPNJRWEKHVIAU-GARJFASQSA-N 0 0 300.384 0.839 10 0 DCAERN CN1CCN(C(=O)Cn2cc(NC(=O)C3CC=CC3)cn2)CC1 ZINC000151653763 395989645 /nfs/dbraw/zinc/98/96/45/395989645.db2.gz OXQZMPZCOWLGPK-UHFFFAOYSA-N 0 0 317.393 0.562 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000151893616 395995858 /nfs/dbraw/zinc/99/58/58/395995858.db2.gz VJSCOXFGBZLBGQ-AAEUAGOBSA-N 0 0 302.309 0.852 10 0 DCAERN CCn1cc([C@H]2CN([C@H](C)C(=O)NC(=O)NC)CCO2)cn1 ZINC000248801683 395997836 /nfs/dbraw/zinc/99/78/36/395997836.db2.gz QKENWCQCMOPZAB-ZYHUDNBSSA-N 0 0 309.370 0.120 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@@]2(CCOC2)C1 ZINC000153414604 396023826 /nfs/dbraw/zinc/02/38/26/396023826.db2.gz YECNYRWUBXPQFM-MRXNPFEDSA-N 0 0 301.346 0.969 10 0 DCAERN CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OC)s1 ZINC000252776561 396024856 /nfs/dbraw/zinc/02/48/56/396024856.db2.gz OGRDLWIMFDRPLS-SCZZXKLOSA-N 0 0 319.404 0.607 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154034920 396029727 /nfs/dbraw/zinc/02/97/27/396029727.db2.gz WFYODICOTRLZQU-HIFRSBDPSA-N 0 0 319.409 0.516 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CCCN2c2cc(Cl)nc(N)n2)CC1 ZINC000067710770 396031702 /nfs/dbraw/zinc/03/17/02/396031702.db2.gz WAOVRTYEHQSCHV-JTQLQIEISA-N 0 0 324.816 0.455 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](O)CN2CCOCC2)cc1C ZINC000154121631 396032269 /nfs/dbraw/zinc/03/22/69/396032269.db2.gz ACHVULRXPMJAAZ-HNNXBMFYSA-N 0 0 322.405 0.492 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCOC2(CCC2)C1 ZINC000154171875 396033723 /nfs/dbraw/zinc/03/37/23/396033723.db2.gz CXEZLMMDDYOXGG-LBPRGKRZSA-N 0 0 309.410 0.367 10 0 DCAERN Cc1nc(C(=O)NCc2ccnc(-n3cccn3)c2)c(=O)[nH]c1C ZINC000154225017 396034577 /nfs/dbraw/zinc/03/45/77/396034577.db2.gz UYBMCMBALCANEG-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1COC ZINC000257194880 396036217 /nfs/dbraw/zinc/03/62/17/396036217.db2.gz UVZZUOYDHPPKGY-GXTWGEPZSA-N 0 0 322.409 0.426 10 0 DCAERN CN1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C(C)(C)C1=O ZINC000154357502 396036729 /nfs/dbraw/zinc/03/67/29/396036729.db2.gz FLMSGGFSHYDUKC-UHFFFAOYSA-N 0 0 316.361 0.409 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000154337356 396036748 /nfs/dbraw/zinc/03/67/48/396036748.db2.gz MBWDFQOIVGDLBQ-YPMHNXCESA-N 0 0 316.361 0.227 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000067907705 396038809 /nfs/dbraw/zinc/03/88/09/396038809.db2.gz BCKAAJXMHQFMKE-AWEZNQCLSA-N 0 0 323.437 0.962 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000067997046 396042523 /nfs/dbraw/zinc/04/25/23/396042523.db2.gz FOPWREGIILHYAD-OAHLLOKOSA-N 0 0 317.389 0.909 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000068138100 396047300 /nfs/dbraw/zinc/04/73/00/396047300.db2.gz OQMKXEPOXWDCSV-NEPJUHHUSA-N 0 0 324.425 0.731 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)CC(C)(CO)CO ZINC000155503281 396053528 /nfs/dbraw/zinc/05/35/28/396053528.db2.gz BIRWYXKXHMZNRA-UHFFFAOYSA-N 0 0 308.378 0.174 10 0 DCAERN CC(C)(C)c1csc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000155604098 396055081 /nfs/dbraw/zinc/05/50/81/396055081.db2.gz KBPICCZMLSRBJX-QMMMGPOBSA-N 0 0 324.406 0.697 10 0 DCAERN [NH3+][C@H](C(=O)NCCC(=O)Nc1cccnc1)C1CCOCC1 ZINC000261682867 396056326 /nfs/dbraw/zinc/05/63/26/396056326.db2.gz HCRXRUZZQYUWAV-AWEZNQCLSA-N 0 0 306.366 0.280 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2nc(C(C)(C)C)no2)C[C@@H](C(N)=O)O1 ZINC000157403682 396063183 /nfs/dbraw/zinc/06/31/83/396063183.db2.gz HWTXQJJFHNYUHV-ZJUUUORDSA-N 0 0 324.381 0.401 10 0 DCAERN CCC[C@H](O)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000158702655 396065110 /nfs/dbraw/zinc/06/51/10/396065110.db2.gz CEVMGSZYORMMSZ-LBPRGKRZSA-N 0 0 315.391 0.841 10 0 DCAERN Cc1cc(N2CCN(CCOCC3CC3)CC2)n2ncnc2n1 ZINC000159052032 396065891 /nfs/dbraw/zinc/06/58/91/396065891.db2.gz SJGASEDOJLXTLB-UHFFFAOYSA-N 0 0 316.409 0.981 10 0 DCAERN NC(=O)c1ccn(-c2ncc(I)cn2)n1 ZINC000159239404 396066494 /nfs/dbraw/zinc/06/64/94/396066494.db2.gz LBEYDDIYMNBIMY-UHFFFAOYSA-N 0 0 315.074 0.366 10 0 DCAERN COCCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159348428 396067679 /nfs/dbraw/zinc/06/76/79/396067679.db2.gz HLOHIBLHGVQJBJ-NSHDSACASA-N 0 0 316.427 0.672 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)Cn2cnnn2)[C@H]1Oc1ccccc1 ZINC000249125675 396002557 /nfs/dbraw/zinc/00/25/57/396002557.db2.gz JBKDZTYAODTQNY-GZBFAFLISA-N 0 0 317.349 0.414 10 0 DCAERN CS(=O)(=O)CCN(C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)C1CC1 ZINC000249124571 396002661 /nfs/dbraw/zinc/00/26/61/396002661.db2.gz CFRKFEZHEROQSF-XQQFMLRXSA-N 0 0 316.423 0.773 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC[C@H]1C ZINC000249457101 396008446 /nfs/dbraw/zinc/00/84/46/396008446.db2.gz DQJWGXDFPNNSNV-ZWNOBZJWSA-N 0 0 312.391 0.831 10 0 DCAERN CCn1cc([C@@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)cn1 ZINC000249462891 396008735 /nfs/dbraw/zinc/00/87/35/396008735.db2.gz ZZCKTWFGENZTNC-HOCLYGCPSA-N 0 0 308.426 0.997 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1)N1CCOCC1 ZINC000276560523 396010228 /nfs/dbraw/zinc/01/02/28/396010228.db2.gz KJMXHIQBGUBCAP-VNQPRFMTSA-N 0 0 319.405 0.996 10 0 DCAERN CN(C)C(=O)NCCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000152640754 396014469 /nfs/dbraw/zinc/01/44/69/396014469.db2.gz AUWYGFTVUQCDDT-JTQLQIEISA-N 0 0 311.411 0.499 10 0 DCAERN CO[C@@H](C)Cn1cc(I)c(=O)[nH]c1=O ZINC000167756565 396089336 /nfs/dbraw/zinc/08/93/36/396089336.db2.gz FZEBIKHIEOGVOE-YFKPBYRVSA-N 0 0 310.091 0.176 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 ZINC000167155873 396089436 /nfs/dbraw/zinc/08/94/36/396089436.db2.gz DFOIMVIVQLJWMS-UHFFFAOYSA-N 0 0 313.375 0.453 10 0 DCAERN Cc1ccc(C[C@@H]([NH3+])[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000169319112 396090102 /nfs/dbraw/zinc/09/01/02/396090102.db2.gz KECAWAXFNFZHBY-ILXRZTDVSA-N 0 0 322.405 0.841 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCC(=O)N(C)C)C2)no1 ZINC000170897173 396100412 /nfs/dbraw/zinc/10/04/12/396100412.db2.gz ROMXXIBIVJVSGW-GFCCVEGCSA-N 0 0 323.397 0.820 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000070192697 396100388 /nfs/dbraw/zinc/10/03/88/396100388.db2.gz LVPSKUWXZPYNFW-CABCVRRESA-N 0 0 313.419 0.683 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N[C@@H]2CCc3ncnn3C2)ncn1 ZINC000170999800 396103028 /nfs/dbraw/zinc/10/30/28/396103028.db2.gz QPWOAWZISAJEMJ-NEPJUHHUSA-N 0 0 315.381 0.456 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)n1 ZINC000171030885 396104095 /nfs/dbraw/zinc/10/40/95/396104095.db2.gz ROPBBNVPYCRVAW-PWSUYJOCSA-N 0 0 304.350 0.467 10 0 DCAERN Cc1cc(C(=O)N2CCN(Cc3noc(CN)n3)CC2)c(C)o1 ZINC000262169731 396106286 /nfs/dbraw/zinc/10/62/86/396106286.db2.gz HQPSNZVOBSTYRI-UHFFFAOYSA-N 0 0 319.365 0.696 10 0 DCAERN Cc1noc(CCNC(=O)NCCNC(=O)c2ccccc2)n1 ZINC000171182616 396109210 /nfs/dbraw/zinc/10/92/10/396109210.db2.gz ZEXKKDSYTFIMDG-UHFFFAOYSA-N 0 0 317.349 0.650 10 0 DCAERN Cc1ccn2ncc(C(=O)NCCCC(=O)NC3CC3)c2n1 ZINC000171183961 396109811 /nfs/dbraw/zinc/10/98/11/396109811.db2.gz IOYPJZRGRDDYCE-UHFFFAOYSA-N 0 0 301.350 0.826 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171187992 396110061 /nfs/dbraw/zinc/11/00/61/396110061.db2.gz MTZCOJJODYZRPD-UHFFFAOYSA-N 0 0 320.397 0.223 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](CO)C3)C2)n(C)n1 ZINC000278329891 396119231 /nfs/dbraw/zinc/11/92/31/396119231.db2.gz HDAIUHRTRXINCB-ZIAGYGMSSA-N 0 0 321.425 0.721 10 0 DCAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@@H]1CCCOC1 ZINC000171605054 396119335 /nfs/dbraw/zinc/11/93/35/396119335.db2.gz FBXFQPLLMUPAAG-CQSZACIVSA-N 0 0 320.393 0.561 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CCC[C@@H](n2cncn2)C1 ZINC000171666301 396121230 /nfs/dbraw/zinc/12/12/30/396121230.db2.gz HKHWULNGQCOETP-GFCCVEGCSA-N 0 0 317.349 0.855 10 0 DCAERN CN(C[C@H]1CCCOC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000171644299 396121730 /nfs/dbraw/zinc/12/17/30/396121730.db2.gz NAZOFYLGMQLRPD-LLVKDONJSA-N 0 0 312.391 0.833 10 0 DCAERN C[C@@H](O)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000171672911 396122538 /nfs/dbraw/zinc/12/25/38/396122538.db2.gz DLVHYVULJGWUQA-IUODEOHRSA-N 0 0 307.394 0.870 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)CCCOC ZINC000171768037 396124297 /nfs/dbraw/zinc/12/42/97/396124297.db2.gz HGCXTANMRBDJNL-LBPRGKRZSA-N 0 0 306.428 0.686 10 0 DCAERN CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1C[C@@H](C)O ZINC000174625064 396138662 /nfs/dbraw/zinc/13/86/62/396138662.db2.gz RPPTVEOFTVDXOS-CHWSQXEVSA-N 0 0 320.455 0.115 10 0 DCAERN CN(CC(=O)NCc1ccccc1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000263219933 396206826 /nfs/dbraw/zinc/20/68/26/396206826.db2.gz LRYJATNGCVFPDH-GFCCVEGCSA-N 0 0 311.332 0.758 10 0 DCAERN CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178750237 396207192 /nfs/dbraw/zinc/20/71/92/396207192.db2.gz WRKNVSVRFIDRLG-CABZTGNLSA-N 0 0 300.380 0.471 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1)N1CCCC1 ZINC000263251066 396209145 /nfs/dbraw/zinc/20/91/45/396209145.db2.gz PXYUHNDSFBMLGP-NEPJUHHUSA-N 0 0 315.364 0.845 10 0 DCAERN COc1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1N ZINC000262485637 396146306 /nfs/dbraw/zinc/14/63/06/396146306.db2.gz ZEXQOKRRUAYRHZ-UHFFFAOYSA-N 0 0 306.322 0.546 10 0 DCAERN CN(C(=O)NCCS(=O)(=O)NCC1CCC1)C1CCC1 ZINC000074164969 396159174 /nfs/dbraw/zinc/15/91/74/396159174.db2.gz JRSZKVOPYKLGHF-UHFFFAOYSA-N 0 0 303.428 0.900 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000177181257 396168346 /nfs/dbraw/zinc/16/83/46/396168346.db2.gz IRDJOXTXIQXVIU-LBPRGKRZSA-N 0 0 308.407 0.715 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1COCCN1 ZINC000262672325 396170788 /nfs/dbraw/zinc/17/07/88/396170788.db2.gz PBBHAMRMJBRANN-ZYHUDNBSSA-N 0 0 310.785 0.418 10 0 DCAERN O=C(CCNC(=O)[C@H]1CCCc2n[nH]cc21)N1CCOCC1 ZINC000177296382 396170829 /nfs/dbraw/zinc/17/08/29/396170829.db2.gz PTEMPXVJMDSYEV-NSHDSACASA-N 0 0 306.366 0.195 10 0 DCAERN C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000177298133 396170842 /nfs/dbraw/zinc/17/08/42/396170842.db2.gz GDWCVBQZKYKCBH-KBPBESRZSA-N 0 0 307.398 0.245 10 0 DCAERN COc1ncccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177394844 396173663 /nfs/dbraw/zinc/17/36/63/396173663.db2.gz CTHZGLOCQJHHIA-GFCCVEGCSA-N 0 0 318.377 0.725 10 0 DCAERN COC(=O)[C@]1(C)CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000177420870 396175459 /nfs/dbraw/zinc/17/54/59/396175459.db2.gz KHDNGHRJCIAMRD-MLGOLLRUSA-N 0 0 320.393 0.719 10 0 DCAERN CC(C)N1CCC[C@@H](N2CCN(c3cccnn3)CC2)C1=O ZINC000177700255 396181805 /nfs/dbraw/zinc/18/18/05/396181805.db2.gz JKSYXBJVEANWLA-CQSZACIVSA-N 0 0 303.410 0.998 10 0 DCAERN Cn1c(=O)cc(CN2CCO[C@H](c3cccs3)C2)n(C)c1=O ZINC000177745723 396182249 /nfs/dbraw/zinc/18/22/49/396182249.db2.gz DBJRUHPNSVBNCR-LBPRGKRZSA-N 0 0 321.402 0.719 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000076034408 396191639 /nfs/dbraw/zinc/19/16/39/396191639.db2.gz OTZKUIKHKBKOLG-XVKPBYJWSA-N 0 0 303.322 0.162 10 0 DCAERN CCc1nnc([C@@H]2CN(c3ncnc4c3cnn4C)CCO2)[nH]1 ZINC000178286876 396193008 /nfs/dbraw/zinc/19/30/08/396193008.db2.gz JYFIUMCCCFZONL-JTQLQIEISA-N 0 0 314.353 0.622 10 0 DCAERN CCc1nnc([C@H]2CN(c3ncnc4c3cnn4C)CCO2)[nH]1 ZINC000178286893 396193207 /nfs/dbraw/zinc/19/32/07/396193207.db2.gz JYFIUMCCCFZONL-SNVBAGLBSA-N 0 0 314.353 0.622 10 0 DCAERN O=C(CCNC(=O)[C@@H]1CC(F)(F)CN1)N1CCCCCC1 ZINC000262950921 396193557 /nfs/dbraw/zinc/19/35/57/396193557.db2.gz JQRYDLXSCMIBSI-NSHDSACASA-N 0 0 303.353 0.893 10 0 DCAERN C[C@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000178310284 396194023 /nfs/dbraw/zinc/19/40/23/396194023.db2.gz MXCJDQSSRPTTLC-QWHCGFSZSA-N 0 0 307.398 0.858 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NCCCc1ccccn1 ZINC000178572627 396199468 /nfs/dbraw/zinc/19/94/68/396199468.db2.gz HBXSYGAKDLAAJP-UHFFFAOYSA-N 0 0 313.423 0.802 10 0 DCAERN CN(C(=O)CNC(=O)[C@H]1CC(F)(F)CN1)C1CCCCC1 ZINC000263075038 396200849 /nfs/dbraw/zinc/20/08/49/396200849.db2.gz WYAFKRSGIDLYEF-LLVKDONJSA-N 0 0 303.353 0.891 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCCN(c2cccnn2)CC1 ZINC000263310227 396212533 /nfs/dbraw/zinc/21/25/33/396212533.db2.gz YLDIMZWHIXKDOG-LLVKDONJSA-N 0 0 311.336 0.513 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C)c2F)C1 ZINC000180778288 396234649 /nfs/dbraw/zinc/23/46/49/396234649.db2.gz QRRNRCHQSWDBMM-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN COCCCCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181045567 396236136 /nfs/dbraw/zinc/23/61/36/396236136.db2.gz LIYGWCOVXWIYTI-UHFFFAOYSA-N 0 0 317.411 0.432 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(CCOC)CC2)CC1 ZINC000182017100 396244875 /nfs/dbraw/zinc/24/48/75/396244875.db2.gz UCHBVGGXYAXLRC-CQSZACIVSA-N 0 0 313.442 0.901 10 0 DCAERN O=C(NCCCn1ccnn1)NCCc1ccc2c(c1)OCO2 ZINC000182116261 396246783 /nfs/dbraw/zinc/24/67/83/396246783.db2.gz DSFYMPXVXUDSRI-UHFFFAOYSA-N 0 0 317.349 0.939 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)CCCS(C)(=O)=O ZINC000182226959 396247519 /nfs/dbraw/zinc/24/75/19/396247519.db2.gz LDPXQFNPPJUGCC-UHFFFAOYSA-N 0 0 315.439 0.911 10 0 DCAERN Cn1nnc2ccc(C(=O)NCc3ccc(C(N)=O)cc3)cc21 ZINC000182308111 396249628 /nfs/dbraw/zinc/24/96/28/396249628.db2.gz GVISKGKHTADNQS-UHFFFAOYSA-N 0 0 309.329 0.997 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000182481216 396250469 /nfs/dbraw/zinc/25/04/69/396250469.db2.gz QHHGCBLJNKPRIB-CYBMUJFWSA-N 0 0 322.413 0.759 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCc1nc(C)no1 ZINC000182495609 396251840 /nfs/dbraw/zinc/25/18/40/396251840.db2.gz BKDLVNRULSPEQT-UHFFFAOYSA-N 0 0 316.321 0.641 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)NCCCn1ccnn1 ZINC000182956814 396257631 /nfs/dbraw/zinc/25/76/31/396257631.db2.gz LMRWPYDOSKCKTC-UHFFFAOYSA-N 0 0 311.349 0.987 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H](C)C[S@](C)=O)c1 ZINC000183184219 396265069 /nfs/dbraw/zinc/26/50/69/396265069.db2.gz JZPWNUVABMNDHI-MGNBDDOMSA-N 0 0 305.421 0.882 10 0 DCAERN COCCOCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183738221 396273893 /nfs/dbraw/zinc/27/38/93/396273893.db2.gz QAXDOICOGGPDGA-HNNXBMFYSA-N 0 0 324.352 0.797 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000077170202 396213896 /nfs/dbraw/zinc/21/38/96/396213896.db2.gz ZEDQIBURTHRSBO-PMPSAXMXSA-N 0 0 323.437 0.757 10 0 DCAERN COCC[C@](C)(O)CNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000178976137 396216451 /nfs/dbraw/zinc/21/64/51/396216451.db2.gz PRIXNXNRBZQMHU-HNNXBMFYSA-N 0 0 322.365 0.745 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c(C)s1 ZINC000179058746 396220723 /nfs/dbraw/zinc/22/07/23/396220723.db2.gz UKRVRPLWPFBKCU-LBPRGKRZSA-N 0 0 315.464 0.643 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 ZINC000179401650 396226872 /nfs/dbraw/zinc/22/68/72/396226872.db2.gz BQJFWVASGUHDMS-KFWWJZLASA-N 0 0 314.426 0.486 10 0 DCAERN CC(C)C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCOCC1 ZINC000077658167 396227893 /nfs/dbraw/zinc/22/78/93/396227893.db2.gz OHTVCQPGSYPLHA-HNNXBMFYSA-N 0 0 321.421 0.862 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000179585263 396228549 /nfs/dbraw/zinc/22/85/49/396228549.db2.gz WOHPVBCKXGJLCG-MRVPVSSYSA-N 0 0 324.381 0.903 10 0 DCAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCN(C2CC2)CC1 ZINC000077739498 396230635 /nfs/dbraw/zinc/23/06/35/396230635.db2.gz HGDJQANZWKWHMZ-UHFFFAOYSA-N 0 0 308.769 0.980 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000077747208 396230792 /nfs/dbraw/zinc/23/07/92/396230792.db2.gz FCTSJYDAZHHQER-KCJUWKMLSA-N 0 0 303.297 0.870 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCCn1cc(C)cn1 ZINC000184002076 396280917 /nfs/dbraw/zinc/28/09/17/396280917.db2.gz LMAXVMVDTYSORJ-UHFFFAOYSA-N 0 0 320.353 0.923 10 0 DCAERN C[C@@H](NC(=O)NCc1cccnc1N1CCOCC1)[C@H](C)CO ZINC000077772731 396232679 /nfs/dbraw/zinc/23/26/79/396232679.db2.gz PKZCDKJRSUNBLY-CHWSQXEVSA-N 0 0 322.409 0.734 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000184954215 396311720 /nfs/dbraw/zinc/31/17/20/396311720.db2.gz IBDANXWVDRXANA-AWEZNQCLSA-N 0 0 320.455 0.539 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)c2nncs2)cc1 ZINC000184975459 396312271 /nfs/dbraw/zinc/31/22/71/396312271.db2.gz RPEKRXJDGIBRGD-UHFFFAOYSA-N 0 0 312.376 0.723 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000283158719 396313096 /nfs/dbraw/zinc/31/30/96/396313096.db2.gz GFSGZRDCFJVVHO-NXEZZACHSA-N 0 0 316.365 0.647 10 0 DCAERN COC[C@](C)(NCc1cc(-c2cnn(C)c2)no1)C(=O)OC ZINC000185045922 396314912 /nfs/dbraw/zinc/31/49/12/396314912.db2.gz FKOSINLRTIMRRD-AWEZNQCLSA-N 0 0 308.338 0.743 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000185033949 396315392 /nfs/dbraw/zinc/31/53/92/396315392.db2.gz TWUUDYLLCZRLRH-KGLIPLIRSA-N 0 0 321.421 0.572 10 0 DCAERN CSc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000083856312 396317225 /nfs/dbraw/zinc/31/72/25/396317225.db2.gz VRLKAFQGTGFDAO-CQSZACIVSA-N 0 0 305.359 0.833 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2ccc(F)cc2C(=O)OC)CCO1 ZINC000184084658 396284801 /nfs/dbraw/zinc/28/48/01/396284801.db2.gz NFBQUWAFBYDFGK-ZDUSSCGKSA-N 0 0 310.325 0.559 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282375602 396285728 /nfs/dbraw/zinc/28/57/28/396285728.db2.gz NHHMEUGXBFOAHP-SNVBAGLBSA-N 0 0 317.345 0.517 10 0 DCAERN Cc1cc(CN2CCN(c3cncc(C(N)=O)n3)CC2)on1 ZINC000080765822 396285894 /nfs/dbraw/zinc/28/58/94/396285894.db2.gz SRROTZBMXURYFW-UHFFFAOYSA-N 0 0 302.338 0.194 10 0 DCAERN CNC(=O)C1(C(=O)N2CCN(c3cccs3)C(=O)C2)CC1 ZINC000184108271 396286282 /nfs/dbraw/zinc/28/62/82/396286282.db2.gz RBUNXOMIVAPJDB-UHFFFAOYSA-N 0 0 307.375 0.450 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282383169 396286549 /nfs/dbraw/zinc/28/65/49/396286549.db2.gz NUUYSISRCPEIFC-MRVPVSSYSA-N 0 0 318.333 0.138 10 0 DCAERN O=C(NC[C@@H]1CCC[C@@H]1O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000080969445 396290101 /nfs/dbraw/zinc/29/01/01/396290101.db2.gz VGYCRNJNYNXEAO-AVGNSLFASA-N 0 0 312.435 0.965 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCN1CCCCCC1=O ZINC000184335686 396291300 /nfs/dbraw/zinc/29/13/00/396291300.db2.gz NJKSRMPOIFJJDX-QWHCGFSZSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](O)c1ccccc1F ZINC000184431028 396295477 /nfs/dbraw/zinc/29/54/77/396295477.db2.gz AVGIZQYDCQDSJY-TVYUQYBPSA-N 0 0 303.355 0.956 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184653606 396301270 /nfs/dbraw/zinc/30/12/70/396301270.db2.gz XWIIAUAZRLEBPO-UHFFFAOYSA-N 0 0 308.403 1.000 10 0 DCAERN Cc1ccc2nc(NC(=O)CN3C[C@H](O)C[C@@H]3CO)sc2c1 ZINC000184724217 396302518 /nfs/dbraw/zinc/30/25/18/396302518.db2.gz HWICRMUFTOGDAY-GHMZBOCLSA-N 0 0 321.402 0.971 10 0 DCAERN CNC(=O)CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000184847628 396308810 /nfs/dbraw/zinc/30/88/10/396308810.db2.gz YQVUWPBOJLHNIV-LBPRGKRZSA-N 0 0 322.340 0.684 10 0 DCAERN CC(C)C[C@H](CO)[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1 ZINC000185363261 396325805 /nfs/dbraw/zinc/32/58/05/396325805.db2.gz RGIQPGHKLHVYGE-GFCCVEGCSA-N 0 0 318.443 0.037 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)N1CCc2c1cccc2F ZINC000185506918 396329162 /nfs/dbraw/zinc/32/91/62/396329162.db2.gz CQTKETODCKRIKB-UHFFFAOYSA-N 0 0 302.309 0.765 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000265640381 396332405 /nfs/dbraw/zinc/33/24/05/396332405.db2.gz INNWVTDAHUMOAA-UHFFFAOYSA-N 0 0 309.395 0.722 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1 ZINC000185698773 396333350 /nfs/dbraw/zinc/33/33/50/396333350.db2.gz LDJRNXZJZYASBH-ZDUSSCGKSA-N 0 0 304.346 0.597 10 0 DCAERN O=C(Nc1nc2ccccn2n1)N1CCO[C@]2(CCOC2)C1 ZINC000185477157 396328652 /nfs/dbraw/zinc/32/86/52/396328652.db2.gz TXXRPQXEWNHKSP-CQSZACIVSA-N 0 0 303.322 0.753 10 0 DCAERN CC[C@](C)(O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185847702 396336040 /nfs/dbraw/zinc/33/60/40/396336040.db2.gz YUNIQIVNULTOQU-HNNXBMFYSA-N 0 0 323.397 0.999 10 0 DCAERN O=C(CNC(=O)c1ccccc1OC(F)F)NC1(CO)CC1 ZINC000186245437 396346405 /nfs/dbraw/zinc/34/64/05/396346405.db2.gz ZFKRTZHHRFRJCC-UHFFFAOYSA-N 0 0 314.288 0.659 10 0 DCAERN Cc1ccc(OCC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1C ZINC000284813769 396346764 /nfs/dbraw/zinc/34/67/64/396346764.db2.gz BLMMQCJYAJKWBI-MRXNPFEDSA-N 0 0 306.362 0.521 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000186305939 396347482 /nfs/dbraw/zinc/34/74/82/396347482.db2.gz WOBUYVABDUNHDT-GFCCVEGCSA-N 0 0 310.350 0.595 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186084373 396340860 /nfs/dbraw/zinc/34/08/60/396340860.db2.gz ZJESQNPIDDIDJR-MRXNPFEDSA-N 0 0 312.410 0.947 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186132705 396342021 /nfs/dbraw/zinc/34/20/21/396342021.db2.gz VULDRCDUFHTUQM-MNOVXSKESA-N 0 0 323.397 0.855 10 0 DCAERN CC[C@@H](O)CCNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186188176 396343863 /nfs/dbraw/zinc/34/38/63/396343863.db2.gz SRNFHJLBEDFSQJ-GFCCVEGCSA-N 0 0 323.397 0.999 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187019599 396361782 /nfs/dbraw/zinc/36/17/82/396361782.db2.gz BGUVMROFKUZDBJ-NXEZZACHSA-N 0 0 313.320 0.272 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(c2cccnn2)CC1 ZINC000187836802 396374811 /nfs/dbraw/zinc/37/48/11/396374811.db2.gz AJYXITFDODUJEI-LBPRGKRZSA-N 0 0 320.397 0.175 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000187278141 396366453 /nfs/dbraw/zinc/36/64/53/396366453.db2.gz FCWWMPCSWXUXLL-SWLSCSKDSA-N 0 0 318.377 0.196 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187476718 396370569 /nfs/dbraw/zinc/37/05/69/396370569.db2.gz FFFWZHDOORUWIX-MWLCHTKSSA-N 0 0 306.370 0.294 10 0 DCAERN CNC(=O)CC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000187766397 396373670 /nfs/dbraw/zinc/37/36/70/396373670.db2.gz VONOMWLTOOCXRH-SNVBAGLBSA-N 0 0 302.334 0.974 10 0 DCAERN O=c1nc(CN2C[C@@H](O)C[C@H]2CO)[nH]c2sc3c(c21)CCC3 ZINC000186537559 396352070 /nfs/dbraw/zinc/35/20/70/396352070.db2.gz CGNXZEAFTBSPLQ-IUCAKERBSA-N 0 0 321.402 0.401 10 0 DCAERN Cc1csc([C@@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)n1 ZINC000188622078 396383363 /nfs/dbraw/zinc/38/33/63/396383363.db2.gz AWFOFVSEBILZRZ-NSHDSACASA-N 0 0 320.374 0.759 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000188742466 396384991 /nfs/dbraw/zinc/38/49/91/396384991.db2.gz BURAQPBXJJPEIR-BPLDGKMQSA-N 0 0 306.337 0.911 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2ccccn2)CCN1CCO ZINC000188805073 396386194 /nfs/dbraw/zinc/38/61/94/396386194.db2.gz FXAMMUSIRRKABE-CYBMUJFWSA-N 0 0 309.435 0.840 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCCNC(=O)[C@@H]3C)no2)c1 ZINC000188835240 396387333 /nfs/dbraw/zinc/38/73/33/396387333.db2.gz RPEZHGNITISWJK-NSHDSACASA-N 0 0 317.349 0.578 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCNC(=O)[C@H]1C ZINC000188885581 396388176 /nfs/dbraw/zinc/38/81/76/396388176.db2.gz PDLQQALYJRWUCJ-GXFFZTMASA-N 0 0 306.410 0.953 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000188904073 396388738 /nfs/dbraw/zinc/38/87/38/396388738.db2.gz YGAXWUAVWOAENF-LLVKDONJSA-N 0 0 314.345 0.134 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000188982224 396389257 /nfs/dbraw/zinc/38/92/57/396389257.db2.gz JAYLPUFCSBXRMA-KLHDSHLOSA-N 0 0 302.374 0.888 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1 ZINC000189011637 396389991 /nfs/dbraw/zinc/38/99/91/396389991.db2.gz YJFOMMFENWQOKT-NJZAAPMLSA-N 0 0 306.362 0.552 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCN(c3cc(C)[nH]n3)CC2)cn1 ZINC000189749468 396398403 /nfs/dbraw/zinc/39/84/03/396398403.db2.gz CLVFHEWGWWPJMJ-UHFFFAOYSA-N 0 0 316.365 0.466 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189801780 396399731 /nfs/dbraw/zinc/39/97/31/396399731.db2.gz IGYZZEYNCPZWPQ-GFCCVEGCSA-N 0 0 318.377 0.887 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190181631 396402929 /nfs/dbraw/zinc/40/29/29/396402929.db2.gz RUOJDUFTKKZLTE-RYUDHWBXSA-N 0 0 323.397 0.984 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000190204068 396402934 /nfs/dbraw/zinc/40/29/34/396402934.db2.gz HDFWIJYJAGYLOR-MNOVXSKESA-N 0 0 310.398 0.306 10 0 DCAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2cn(CC(N)=O)nn2)n1 ZINC000190395345 396405919 /nfs/dbraw/zinc/40/59/19/396405919.db2.gz DANQSZJWLVTWRQ-KWQFWETISA-N 0 0 320.353 0.732 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1=O ZINC000190638119 396408895 /nfs/dbraw/zinc/40/88/95/396408895.db2.gz WQJOROFCKCEFQF-UHFFFAOYSA-N 0 0 303.362 0.036 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CN1CCCS1(=O)=O ZINC000190611617 396409010 /nfs/dbraw/zinc/40/90/10/396409010.db2.gz AXYGOSXBETYOCS-ZDUSSCGKSA-N 0 0 324.402 0.970 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000190669226 396409660 /nfs/dbraw/zinc/40/96/60/396409660.db2.gz UOOIVURXSRGVMS-MRVPVSSYSA-N 0 0 311.288 0.640 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000190676310 396409818 /nfs/dbraw/zinc/40/98/18/396409818.db2.gz LJKMZNGUZQDKBE-SNVBAGLBSA-N 0 0 314.345 0.843 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)C(=O)N(C)CC)CC2 ZINC000190711547 396410548 /nfs/dbraw/zinc/41/05/48/396410548.db2.gz JOXWPTFIAIVUIY-MNOVXSKESA-N 0 0 322.413 0.321 10 0 DCAERN CCC(C)(C)NC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190790587 396411977 /nfs/dbraw/zinc/41/19/77/396411977.db2.gz ZGQFZPOQZRFDIR-CYBMUJFWSA-N 0 0 313.442 0.860 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000287629580 396412663 /nfs/dbraw/zinc/41/26/63/396412663.db2.gz UEAKPJHNFTXQMC-CABCVRRESA-N 0 0 320.393 0.721 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCO[C@H](CO)C1 ZINC000287657248 396414233 /nfs/dbraw/zinc/41/42/33/396414233.db2.gz COYVTFCQFPYSKO-VIFPVBQESA-N 0 0 306.771 0.425 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)cnc1Cl ZINC000191045560 396414582 /nfs/dbraw/zinc/41/45/82/396414582.db2.gz DOOPOTWDWVLRFA-UHFFFAOYSA-N 0 0 324.768 0.673 10 0 DCAERN CN1CCCN(CC(=O)NC(=O)NCc2cccs2)CC1=O ZINC000191147852 396415690 /nfs/dbraw/zinc/41/56/90/396415690.db2.gz WIOGGODKPVIOJM-UHFFFAOYSA-N 0 0 324.406 0.238 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2c(C)nn(CC)c2C)CC1=O ZINC000191508878 396420580 /nfs/dbraw/zinc/42/05/80/396420580.db2.gz BLKLKERPXPBTCA-UHFFFAOYSA-N 0 0 307.354 0.107 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1=O ZINC000191513498 396420870 /nfs/dbraw/zinc/42/08/70/396420870.db2.gz SONTXMCZMJHDOC-UHFFFAOYSA-N 0 0 315.251 0.691 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)[nH]1 ZINC000191530667 396421098 /nfs/dbraw/zinc/42/10/98/396421098.db2.gz RGDOHOXVCCHIBR-GFCCVEGCSA-N 0 0 319.409 0.942 10 0 DCAERN CCN1CN(CC(=O)NCCCOC2CCCCC2)CC1=O ZINC000191543640 396421499 /nfs/dbraw/zinc/42/14/99/396421499.db2.gz ASCPVHBPMRNCBH-UHFFFAOYSA-N 0 0 311.426 0.964 10 0 DCAERN CCN1CN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1=O ZINC000191536841 396421544 /nfs/dbraw/zinc/42/15/44/396421544.db2.gz BPVODWMZADKNHV-UHFFFAOYSA-N 0 0 320.393 0.045 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)CCc3nnc[nH]3)CCO2)cn1 ZINC000191790419 396425017 /nfs/dbraw/zinc/42/50/17/396425017.db2.gz VTLBOZRTANFXBH-GFCCVEGCSA-N 0 0 304.354 0.554 10 0 DCAERN CCN1CN(C(=O)[C@@H](C)NC(=O)c2cccc(C)c2)CC1=O ZINC000191829360 396425120 /nfs/dbraw/zinc/42/51/20/396425120.db2.gz GBYAJCGMZOVWGH-GFCCVEGCSA-N 0 0 303.362 0.762 10 0 DCAERN CCN(CC(N)=O)C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000191810001 396425154 /nfs/dbraw/zinc/42/51/54/396425154.db2.gz RKBLYXJWYCWXGG-UHFFFAOYSA-N 0 0 318.421 0.138 10 0 DCAERN C[C@H]1CN(C(=O)c2snnc2C(C)(C)C)CCN1CCO ZINC000191971684 396427693 /nfs/dbraw/zinc/42/76/93/396427693.db2.gz KNHOTENJITZIEY-JTQLQIEISA-N 0 0 312.439 0.974 10 0 DCAERN CC(=O)N1CCN(CCNc2nccn(C(F)F)c2=O)CC1 ZINC000288021318 396437637 /nfs/dbraw/zinc/43/76/37/396437637.db2.gz CBPAVWIORAXRMA-UHFFFAOYSA-N 0 0 315.324 0.214 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCC(C)=O)ncn1 ZINC000192938664 396441284 /nfs/dbraw/zinc/44/12/84/396441284.db2.gz KDEVZGVCJOONBM-LBPRGKRZSA-N 0 0 305.382 0.973 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC(C3CCOCC3)CC2)C1=O ZINC000372226527 396498852 /nfs/dbraw/zinc/49/88/52/396498852.db2.gz TZCGXXAAZYAJEI-UHFFFAOYSA-N 0 0 323.393 0.546 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)c2cccnc12 ZINC000269871024 396452782 /nfs/dbraw/zinc/45/27/82/396452782.db2.gz UIOBXIXFRFSKAB-GFCCVEGCSA-N 0 0 322.386 0.925 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000594799172 396517001 /nfs/dbraw/zinc/51/70/01/396517001.db2.gz PRAAVXUMDGUPOC-CYBMUJFWSA-N 0 0 305.396 0.770 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000371559160 396470839 /nfs/dbraw/zinc/47/08/39/396470839.db2.gz FRYUEWLCUXUWDD-VSZDKKFSSA-N 0 0 303.362 0.734 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC(n2ccnn2)C1 ZINC000371616659 396472180 /nfs/dbraw/zinc/47/21/80/396472180.db2.gz PGPONCNXKBGQMW-UHFFFAOYSA-N 0 0 309.333 0.620 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(c2nccc(C)n2)CC1 ZINC000371790112 396476913 /nfs/dbraw/zinc/47/69/13/396476913.db2.gz VSANBKTXTDYAFT-UHFFFAOYSA-N 0 0 320.393 0.596 10 0 DCAERN O=C(Nc1ccc(Cl)nc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371834671 396478158 /nfs/dbraw/zinc/47/81/58/396478158.db2.gz LZMJHLZZKVSQDW-NSHDSACASA-N 0 0 324.768 0.217 10 0 DCAERN COc1cccc(CNC(=O)CN2CCN3CCOC[C@H]3C2)c1 ZINC000371834883 396478223 /nfs/dbraw/zinc/47/82/23/396478223.db2.gz OAIXSTGNCVNZAM-OAHLLOKOSA-N 0 0 319.405 0.328 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000371829473 396478268 /nfs/dbraw/zinc/47/82/68/396478268.db2.gz AZJZYQLORRTJQJ-OAHLLOKOSA-N 0 0 314.349 0.859 10 0 DCAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000371868923 396479100 /nfs/dbraw/zinc/47/91/00/396479100.db2.gz CPLSBTXFHWWKNY-AWEZNQCLSA-N 0 0 313.361 0.628 10 0 DCAERN O=C([C@H](O)CCc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000371870732 396479284 /nfs/dbraw/zinc/47/92/84/396479284.db2.gz SMBPDEPNFZSLJN-HZPDHXFCSA-N 0 0 304.390 0.523 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1(C)C ZINC000371983253 396481805 /nfs/dbraw/zinc/48/18/05/396481805.db2.gz FXAYFSIGEVKHBW-AAVRWANBSA-N 0 0 311.426 0.772 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CC(F)(F)C[C@H]3CO)nc2n1 ZINC000372509891 396523205 /nfs/dbraw/zinc/52/32/05/396523205.db2.gz 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/nfs/dbraw/zinc/70/13/36/396701336.db2.gz ZIRKSYRXTINXSS-ZDUSSCGKSA-N 0 0 302.378 0.969 10 0 DCAERN CSC1(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000589087920 396703190 /nfs/dbraw/zinc/70/31/90/396703190.db2.gz YFWHFYKIWXNZNV-ZDUSSCGKSA-N 0 0 314.407 0.016 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(c3nc(C)cc(C)n3)CC[C@@H]21 ZINC000299742232 396713872 /nfs/dbraw/zinc/71/38/72/396713872.db2.gz JBOQYMWVFRDAHZ-OLZOCXBDSA-N 0 0 305.382 0.712 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](Cc3noc(C)n3)C2)nn1 ZINC000301429974 396716632 /nfs/dbraw/zinc/71/66/32/396716632.db2.gz JFFWIPWCYFJYJT-NSHDSACASA-N 0 0 316.365 0.987 10 0 DCAERN CCNC(=O)NCCNC(=O)c1ncsc1Br ZINC000563402509 396728679 /nfs/dbraw/zinc/72/86/79/396728679.db2.gz ARGCPNYRKDNZBL-UHFFFAOYSA-N 0 0 321.200 0.955 10 0 DCAERN O=C(c1cnc(C(F)(F)F)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000375287117 396724898 /nfs/dbraw/zinc/72/48/98/396724898.db2.gz NCRPIIZMVNXWTI-JTQLQIEISA-N 0 0 316.283 0.652 10 0 DCAERN CC(=O)C[C@H]1COCCN1S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625124080 396778626 /nfs/dbraw/zinc/77/86/26/396778626.db2.gz URDQUJDTXQPINV-RYUDHWBXSA-N 0 0 305.396 0.564 10 0 DCAERN CC(=O)N[C@@H](C(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C ZINC000617501751 396741138 /nfs/dbraw/zinc/74/11/38/396741138.db2.gz WULOITXXBNPRKO-DZGCQCFKSA-N 0 0 317.389 0.851 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NC[C@H](C)c1ccncc1 ZINC000610701338 396751014 /nfs/dbraw/zinc/75/10/14/396751014.db2.gz AJSGGORYBVUWII-WDEREUQCSA-N 0 0 300.380 0.914 10 0 DCAERN CCNC(=O)NC(=O)CN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465571 396752328 /nfs/dbraw/zinc/75/23/28/396752328.db2.gz ONUTXQPXDKXKQY-JTQLQIEISA-N 0 0 307.354 0.582 10 0 DCAERN C[C@H]1[C@@H](NS(=O)(=O)c2ccc(O)cc2)CCS1(=O)=O ZINC000312038375 396762936 /nfs/dbraw/zinc/76/29/36/396762936.db2.gz PVFBXWFNKGIZIT-KWQFWETISA-N 0 0 305.377 0.246 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000375534390 396768031 /nfs/dbraw/zinc/76/80/31/396768031.db2.gz OWZPDCSBROIRAY-SECBINFHSA-N 0 0 323.324 0.501 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000563687091 396769129 /nfs/dbraw/zinc/76/91/29/396769129.db2.gz LCSYDZIFGZHIBZ-SNVBAGLBSA-N 0 0 308.338 0.702 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000313955787 396774849 /nfs/dbraw/zinc/77/48/49/396774849.db2.gz DTHIPRCIVYUWKC-ABAIWWIYSA-N 0 0 306.387 0.715 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328621407 396824399 /nfs/dbraw/zinc/82/43/99/396824399.db2.gz AKGVJPLVEKMHME-MRVPVSSYSA-N 0 0 306.330 0.073 10 0 DCAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(C)(CO)CO)C1 ZINC000328620201 396825031 /nfs/dbraw/zinc/82/50/31/396825031.db2.gz GUQNOLKWZHNKIM-GFCCVEGCSA-N 0 0 323.393 0.118 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1 ZINC000611157774 396825461 /nfs/dbraw/zinc/82/54/61/396825461.db2.gz FCETWDHNTJQLKZ-CYBMUJFWSA-N 0 0 313.375 0.865 10 0 DCAERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C)C(=O)C1 ZINC000328629170 396826052 /nfs/dbraw/zinc/82/60/52/396826052.db2.gz 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ZINC000376136051 396881055 /nfs/dbraw/zinc/88/10/55/396881055.db2.gz URTUQNWKEKUWEZ-AWEZNQCLSA-N 0 0 302.371 0.934 10 0 DCAERN CC[C@H]1CO[C@H](C)CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332838507 396896159 /nfs/dbraw/zinc/89/61/59/396896159.db2.gz GPYLWMQNURKQLB-MROQNXINSA-N 0 0 309.370 0.427 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277916690 304324079 /nfs/dbraw/zinc/32/40/79/304324079.db2.gz SHPHPWCNAMVDHS-LBPRGKRZSA-N 0 0 310.375 0.639 10 0 DCAERN C[C@@H](SCC1CCOCC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000332912212 396903503 /nfs/dbraw/zinc/90/35/03/396903503.db2.gz ZQDSMORQIGISSQ-PWSUYJOCSA-N 0 0 321.464 0.838 10 0 DCAERN C[C@H](CC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1)c1cccnc1 ZINC000630014256 396917898 /nfs/dbraw/zinc/91/78/98/396917898.db2.gz JECYBHAMGPWPGW-MRVWCRGKSA-N 0 0 301.350 0.611 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCC[C@](F)(CO)C1 ZINC000376443733 396930484 /nfs/dbraw/zinc/93/04/84/396930484.db2.gz WCOOIKMGPAHOHV-IINYFYTJSA-N 0 0 310.329 0.086 10 0 DCAERN COC(=O)c1csc(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000611935502 396951365 /nfs/dbraw/zinc/95/13/65/396951365.db2.gz VFPMWEWCCXIDKA-UHFFFAOYSA-N 0 0 316.364 0.142 10 0 DCAERN COC(=O)c1cc(CNC(=O)N2CC[C@H](CC(N)=O)C2)oc1C ZINC000376630537 396955646 /nfs/dbraw/zinc/95/56/46/396955646.db2.gz XEXYENYXVFPFQI-SNVBAGLBSA-N 0 0 323.349 0.782 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000625735857 396991099 /nfs/dbraw/zinc/99/10/99/396991099.db2.gz PHJPSCLDYZONFV-MRTXSQPYSA-N 0 0 311.426 0.644 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408056552 292102759 /nfs/dbraw/zinc/10/27/59/292102759.db2.gz IVRMMLZCQWDREV-JSGCOSHPSA-N 0 0 320.393 0.577 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cccc(O)c2)CCN1S(C)(=O)=O ZINC000618676178 397010508 /nfs/dbraw/zinc/01/05/08/397010508.db2.gz PDPTUPYEPYYPOP-LLVKDONJSA-N 0 0 312.391 0.427 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCSC ZINC000618811142 397028256 /nfs/dbraw/zinc/02/82/56/397028256.db2.gz YRFOISIOWFCDQI-BDAKNGLRSA-N 0 0 305.400 0.105 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CC[C@H](CC(N)=O)C1)N1CCOCC1 ZINC000376755127 396974971 /nfs/dbraw/zinc/97/49/71/396974971.db2.gz LHVVNCHLJUUGIN-YNEHKIRRSA-N 0 0 312.414 0.003 10 0 DCAERN CC(=O)CSCC(=O)N1CCN(c2ncns2)CC1 ZINC000597723379 397075961 /nfs/dbraw/zinc/07/59/61/397075961.db2.gz XSPKXNPNSHFWNW-UHFFFAOYSA-N 0 0 300.409 0.509 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cn(C)c3ccc(F)cc23)CCO1 ZINC000377190205 397045022 /nfs/dbraw/zinc/04/50/22/397045022.db2.gz UYNFDIIBXUENKH-AWEZNQCLSA-N 0 0 319.336 0.904 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000377679282 397124602 /nfs/dbraw/zinc/12/46/02/397124602.db2.gz NKHZEGUTCACVHZ-NWDGAFQWSA-N 0 0 305.382 0.282 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)on1 ZINC000619457913 397134175 /nfs/dbraw/zinc/13/41/75/397134175.db2.gz XZNQXWKNTWADSB-HNNXBMFYSA-N 0 0 324.333 0.871 10 0 DCAERN O=S1(=O)CCc2nnc(-c3ccc4c(c3)OCCO4)n2CC1 ZINC000630951061 397146793 /nfs/dbraw/zinc/14/67/93/397146793.db2.gz HKBSRRWKIMCCGU-UHFFFAOYSA-N 0 0 321.358 0.687 10 0 DCAERN O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@H]1C[C@@H](O)C1 ZINC000612640118 397110430 /nfs/dbraw/zinc/11/04/30/397110430.db2.gz WRLWUTUWDUPSIH-HZSPNIEDSA-N 0 0 303.362 0.783 10 0 DCAERN C[C@@H]1CN(CCO)CCN1c1ncncc1Br ZINC000572931132 397112892 /nfs/dbraw/zinc/11/28/92/397112892.db2.gz RYKVPSNVJHGWKC-SECBINFHSA-N 0 0 301.188 0.742 10 0 DCAERN CC(=O)CSCC(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000598159311 397181659 /nfs/dbraw/zinc/18/16/59/397181659.db2.gz RDPUZGHLTOUVDR-CQSZACIVSA-N 0 0 317.407 0.926 10 0 DCAERN CC(C)(C)OC(=O)c1cnc(C(=O)NCCn2ccnn2)cn1 ZINC000619795392 397193446 /nfs/dbraw/zinc/19/34/46/397193446.db2.gz RZSKAEUPZWBNPG-UHFFFAOYSA-N 0 0 318.337 0.453 10 0 DCAERN CCN1CC[C@H](NC(=O)Nc2cc(C(=O)OC)n(C)c2)C1=O ZINC000619795650 397193621 /nfs/dbraw/zinc/19/36/21/397193621.db2.gz NWAXZOQNDWQICW-JTQLQIEISA-N 0 0 308.338 0.554 10 0 DCAERN CCN1CC[C@H](NC(=O)NCC2([S@@](C)=O)CCC2)C1=O ZINC000619801868 397195120 /nfs/dbraw/zinc/19/51/20/397195120.db2.gz FEIZUPXHOMQNPF-WVDJIFEKSA-N 0 0 301.412 0.208 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000364398152 397195737 /nfs/dbraw/zinc/19/57/37/397195737.db2.gz FQQSDIBIUMDHNM-WDEREUQCSA-N 0 0 320.397 0.766 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000378129333 397197508 /nfs/dbraw/zinc/19/75/08/397197508.db2.gz AEJDMAYHGPBECL-MFKMUULPSA-N 0 0 300.380 0.319 10 0 DCAERN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCC1(C)COC1 ZINC000573710592 397198269 /nfs/dbraw/zinc/19/82/69/397198269.db2.gz MVJBESVABFNKHH-QWHCGFSZSA-N 0 0 309.410 0.224 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cn1 ZINC000626589694 397198920 /nfs/dbraw/zinc/19/89/20/397198920.db2.gz OPPWMTKYFWEALL-KLPPZKSPSA-N 0 0 319.365 0.792 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NCC1(C)COC1 ZINC000573710591 397199067 /nfs/dbraw/zinc/19/90/67/397199067.db2.gz MVJBESVABFNKHH-OLZOCXBDSA-N 0 0 309.410 0.224 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1=O ZINC000378166127 397203459 /nfs/dbraw/zinc/20/34/59/397203459.db2.gz OVVLHNFWIBNLQM-LHMODEAPSA-N 0 0 317.393 0.576 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN2CCOC[C@@H]2C1 ZINC000364483024 397209485 /nfs/dbraw/zinc/20/94/85/397209485.db2.gz WOAQAHMCMQNACE-AWEZNQCLSA-N 0 0 304.456 0.608 10 0 DCAERN C[C@H]1CCOCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000378509827 397249239 /nfs/dbraw/zinc/24/92/39/397249239.db2.gz WEAVKOCAIXTNBS-LBPRGKRZSA-N 0 0 301.350 0.842 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@]1(CO)CCOC1)CC2 ZINC000364551814 397219404 /nfs/dbraw/zinc/21/94/04/397219404.db2.gz OXWKNLJAPMTCKM-BZNIZROVSA-N 0 0 307.394 0.906 10 0 DCAERN O=S(=O)(c1cccc2c1OCCO2)N1C[C@@H](F)C[C@@H]1CO ZINC000364581545 397224096 /nfs/dbraw/zinc/22/40/96/397224096.db2.gz GMNMIJDGTXXOJT-VHSXEESVSA-N 0 0 317.338 0.551 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCOCC[C@@H]1C ZINC000364769799 397245448 /nfs/dbraw/zinc/24/54/48/397245448.db2.gz LEOYPRPEKBDAFM-NSHDSACASA-N 0 0 319.361 0.670 10 0 DCAERN CCOC(=O)c1cc(C(=O)NC[C@H](C)S(C)(=O)=O)on1 ZINC000598538315 397246457 /nfs/dbraw/zinc/24/64/57/397246457.db2.gz AHGWNCBCRLFYFA-ZETCQYMHSA-N 0 0 304.324 0.014 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@]1(C)CO ZINC000620439263 397270686 /nfs/dbraw/zinc/27/06/86/397270686.db2.gz FQBQVYGNZNOXLH-HZMBPMFUSA-N 0 0 302.338 0.148 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)NCCCCF)cc1 ZINC000381772472 397272068 /nfs/dbraw/zinc/27/20/68/397272068.db2.gz WRSAKUHWARVFBA-UHFFFAOYSA-N 0 0 310.372 0.362 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000365451656 397282717 /nfs/dbraw/zinc/28/27/17/397282717.db2.gz BURAQPBXJJPEIR-AEGPPILISA-N 0 0 306.337 0.911 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000407966397 397339782 /nfs/dbraw/zinc/33/97/82/397339782.db2.gz AVMUWQQHRKCITR-GFCCVEGCSA-N 0 0 309.410 0.570 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000407968411 397340793 /nfs/dbraw/zinc/34/07/93/397340793.db2.gz SWIKVINXZZTHNW-OCCSQVGLSA-N 0 0 312.414 0.017 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407968567 397340837 /nfs/dbraw/zinc/34/08/37/397340837.db2.gz GOAMZODGEQNJEM-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000407970553 397341570 /nfs/dbraw/zinc/34/15/70/397341570.db2.gz ZTEUTFXZXAXSEV-NWDGAFQWSA-N 0 0 319.427 0.231 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000407972040 397342350 /nfs/dbraw/zinc/34/23/50/397342350.db2.gz RRZHIWWEBPZWDP-LBPRGKRZSA-N 0 0 309.410 0.714 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCS1(=O)=O ZINC000408236672 397350116 /nfs/dbraw/zinc/35/01/16/397350116.db2.gz PWJATHZGBHOZNL-GXSJLCMTSA-N 0 0 312.395 0.096 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408260798 397351703 /nfs/dbraw/zinc/35/17/03/397351703.db2.gz YKOQSUKXHBRZIN-WBMJQRKESA-N 0 0 317.393 0.579 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C[C@H]1CO ZINC000621309005 397371485 /nfs/dbraw/zinc/37/14/85/397371485.db2.gz ULHJDYJPABDHHC-IUCAKERBSA-N 0 0 307.803 0.713 10 0 DCAERN CC1(C)CN(C(=O)Cn2cccnc2=O)C[C@]2(CCOC2)O1 ZINC000366534579 397371688 /nfs/dbraw/zinc/37/16/88/397371688.db2.gz WDVBNTBSGSUPLY-HNNXBMFYSA-N 0 0 307.350 0.040 10 0 DCAERN CCCn1c(C)nnc1CN1C[C@@H](OC)[C@H](c2c[nH]nn2)C1 ZINC000621317097 397373743 /nfs/dbraw/zinc/37/37/43/397373743.db2.gz ONHZWARJKSQWRW-WCQYABFASA-N 0 0 305.386 0.729 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404169951 397328593 /nfs/dbraw/zinc/32/85/93/397328593.db2.gz VKJZZJAPFYFVQR-GHMZBOCLSA-N 0 0 301.368 0.043 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000614456601 397442720 /nfs/dbraw/zinc/44/27/20/397442720.db2.gz SZNLPZOUNBTAPI-BXUZGUMPSA-N 0 0 313.361 0.723 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000461290669 397445377 /nfs/dbraw/zinc/44/53/77/397445377.db2.gz JPVFJTDJJFDVOW-VWYCJHECSA-N 0 0 307.412 0.508 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1 ZINC000621471287 397387776 /nfs/dbraw/zinc/38/77/76/397387776.db2.gz MXWQJHVWEZZIPJ-CYBMUJFWSA-N 0 0 324.425 0.732 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1O ZINC000614191025 397395581 /nfs/dbraw/zinc/39/55/81/397395581.db2.gz XLVDWBPSVGJEMC-INIZCTEOSA-N 0 0 302.330 0.947 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCCC2(CC2)CC1 ZINC000599509145 397461734 /nfs/dbraw/zinc/46/17/34/397461734.db2.gz HWXNHUVXPAKPAA-UHFFFAOYSA-N 0 0 304.412 0.992 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)COc1ccc(CO)cc1 ZINC000614551925 397469056 /nfs/dbraw/zinc/46/90/56/397469056.db2.gz VWMWLLMWILOYMF-CYBMUJFWSA-N 0 0 306.362 0.731 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ncccc1C ZINC000488326469 397490452 /nfs/dbraw/zinc/49/04/52/397490452.db2.gz FVZPFCHGDSTARW-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)CN1C[C@H](O)Cc2ccccc21 ZINC000579548985 397578399 /nfs/dbraw/zinc/57/83/99/397578399.db2.gz DTOJGPJREPFPEB-PMPSAXMXSA-N 0 0 307.390 0.967 10 0 DCAERN COCCN1CCN(c2nc([C@@H](C)OC)ns2)CC1=O ZINC000579736309 397591803 /nfs/dbraw/zinc/59/18/03/397591803.db2.gz VYGNNSDVSIXJOJ-SECBINFHSA-N 0 0 300.384 0.541 10 0 DCAERN O=C(C[C@@H](O)Cc1ccccc1)N1CCN(C2CC2)C(=O)C1 ZINC000579905557 397596973 /nfs/dbraw/zinc/59/69/73/397596973.db2.gz LWMUTOKVFPZXOW-HNNXBMFYSA-N 0 0 302.374 0.813 10 0 DCAERN CN(CC1CC1)C(=O)CS(=O)(=O)c1nnc2ccccn21 ZINC000603614218 397618517 /nfs/dbraw/zinc/61/85/17/397618517.db2.gz NQGJXPDNLIWUEK-UHFFFAOYSA-N 0 0 308.363 0.371 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000604313200 397636277 /nfs/dbraw/zinc/63/62/77/397636277.db2.gz JBBGZNQJZDLLKX-CQSZACIVSA-N 0 0 318.421 0.856 10 0 DCAERN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(C2CC2)CC1 ZINC000604473498 397641007 /nfs/dbraw/zinc/64/10/07/397641007.db2.gz URYSBTWNFCHNQI-HNNXBMFYSA-N 0 0 323.437 0.711 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)Cn3cccn3)CCO2)n1 ZINC000608246606 397723377 /nfs/dbraw/zinc/72/33/77/397723377.db2.gz LSXHFWWHGMVEEZ-CYBMUJFWSA-N 0 0 304.354 0.019 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N(C)c2nccs2)cn1C ZINC000608258522 397723861 /nfs/dbraw/zinc/72/38/61/397723861.db2.gz MOFDZDWZNRWFPX-UHFFFAOYSA-N 0 0 314.392 0.666 10 0 DCAERN Cc1nc(CNC(=O)NCCc2cn3c(n2)CCCC3)no1 ZINC000608396291 397728748 /nfs/dbraw/zinc/72/87/48/397728748.db2.gz FPYQUFUQBOYNTI-UHFFFAOYSA-N 0 0 304.354 0.953 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3cnc(C)s3)CC2)[nH]1 ZINC000605378022 397663536 /nfs/dbraw/zinc/66/35/36/397663536.db2.gz RNZLBRNBWKOCAC-UHFFFAOYSA-N 0 0 306.395 0.836 10 0 DCAERN C[C@H](O)CNS(=O)(=O)c1ccc(N2CCOCC2)cc1 ZINC000606303895 397678940 /nfs/dbraw/zinc/67/89/40/397678940.db2.gz YDDHCNWLJQPRRG-NSHDSACASA-N 0 0 300.380 0.182 10 0 DCAERN CCC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC000606444865 397681118 /nfs/dbraw/zinc/68/11/18/397681118.db2.gz BYVZHASKCADMFI-DOMZBBRYSA-N 0 0 323.437 0.954 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)[nH]1 ZINC000606837006 397688376 /nfs/dbraw/zinc/68/83/76/397688376.db2.gz FUPCGEZSGLKRRP-NSHDSACASA-N 0 0 314.411 0.277 10 0 DCAERN C[C@H]1CC(=O)NCCN1C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000607918383 397706691 /nfs/dbraw/zinc/70/66/91/397706691.db2.gz LEEOVZIGAGBHSM-JTQLQIEISA-N 0 0 306.366 0.558 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)NCc1noc(C)n1)CC2 ZINC000610404659 397818241 /nfs/dbraw/zinc/81/82/41/397818241.db2.gz IMEJNWYTYOKUPU-JTQLQIEISA-N 0 0 308.338 0.863 10 0 DCAERN CCOC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCC1 ZINC000376098512 285991835 /nfs/dbraw/zinc/99/18/35/285991835.db2.gz BEFOUBYIWRRCNL-AWEZNQCLSA-N 0 0 309.366 0.536 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119932662 286649111 /nfs/dbraw/zinc/64/91/11/286649111.db2.gz RBVCGNCPYKWYEV-TZMCWYRMSA-N 0 0 318.439 0.422 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000045973351 158000248 /nfs/dbraw/zinc/00/02/48/158000248.db2.gz AASQEELIEPFOTM-CYBMUJFWSA-N 0 0 320.393 0.645 10 0 DCAERN COCCOCCNC(=O)NCc1cccnc1-n1ccnc1 ZINC000046099230 158000305 /nfs/dbraw/zinc/00/03/05/158000305.db2.gz OYLYZTJVOHNXPI-UHFFFAOYSA-N 0 0 319.365 0.730 10 0 DCAERN COCCn1nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1=O ZINC000047923639 158003982 /nfs/dbraw/zinc/00/39/82/158003982.db2.gz YJTHPZPNKKQSPS-KGLIPLIRSA-N 0 0 321.377 0.673 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)NCc2cscn2)C1=O ZINC000050685083 158011713 /nfs/dbraw/zinc/01/17/13/158011713.db2.gz WLIKNCHVDPXVEY-UHFFFAOYSA-N 0 0 310.379 0.870 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@@H]1CCCO1)C(=O)OC ZINC000052101912 158017055 /nfs/dbraw/zinc/01/70/55/158017055.db2.gz BTYZTTMQYPFNJH-SGMGOOAPSA-N 0 0 300.399 0.801 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)n1 ZINC000053448328 158018137 /nfs/dbraw/zinc/01/81/37/158018137.db2.gz DLGUWJMGRWOMJQ-GFCCVEGCSA-N 0 0 321.381 0.875 10 0 DCAERN Cc1nnc([C@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2)[nH]1 ZINC000057890225 158025402 /nfs/dbraw/zinc/02/54/02/158025402.db2.gz ZHFWHYYJPBOMDG-CQSZACIVSA-N 0 0 324.344 0.726 10 0 DCAERN CO[C@@H](C)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066858463 158038152 /nfs/dbraw/zinc/03/81/52/158038152.db2.gz MPDJOCWLORSEKI-ZDUSSCGKSA-N 0 0 311.426 0.424 10 0 DCAERN O=C(C1=COCCC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000068388735 158042886 /nfs/dbraw/zinc/04/28/86/158042886.db2.gz PDJVXCUWTKFORT-CYBMUJFWSA-N 0 0 308.378 0.778 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CCO1 ZINC000072526206 158050294 /nfs/dbraw/zinc/05/02/94/158050294.db2.gz XKZKKPOWVSYUOD-XQQFMLRXSA-N 0 0 321.381 0.263 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)NC1CCCCC1 ZINC000072048350 158051155 /nfs/dbraw/zinc/05/11/55/158051155.db2.gz CMTHBNVNOVMWFT-LLVKDONJSA-N 0 0 321.377 0.963 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000072712285 158052133 /nfs/dbraw/zinc/05/21/33/158052133.db2.gz QTTUVOABUDWAJA-LLVKDONJSA-N 0 0 301.416 0.175 10 0 DCAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(N)=O ZINC000072781460 158052181 /nfs/dbraw/zinc/05/21/81/158052181.db2.gz DVSLWMMWQYERCI-GFCCVEGCSA-N 0 0 313.304 0.321 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)no1 ZINC000074610503 158059122 /nfs/dbraw/zinc/05/91/22/158059122.db2.gz QHEANTXNMLKVRJ-GFCCVEGCSA-N 0 0 309.370 0.384 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)Cn1nc2ccccn2c1=O ZINC000075263723 158061862 /nfs/dbraw/zinc/06/18/62/158061862.db2.gz WSFFYEGCCHPEPU-INIZCTEOSA-N 0 0 320.393 0.799 10 0 DCAERN C[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)Cn1cccn1 ZINC000075788205 158063224 /nfs/dbraw/zinc/06/32/24/158063224.db2.gz CYWBWYJMRLLGPU-NSHDSACASA-N 0 0 322.390 0.597 10 0 DCAERN C[C@H](O)CCNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077767967 158070560 /nfs/dbraw/zinc/07/05/60/158070560.db2.gz SUNHBQVEUJHKML-VIFPVBQESA-N 0 0 304.306 0.562 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)N[C@H](C)CS(C)(=O)=O ZINC000077829225 158070583 /nfs/dbraw/zinc/07/05/83/158070583.db2.gz SRCDGICEGQSOSP-YPMHNXCESA-N 0 0 308.444 0.906 10 0 DCAERN COC(=O)C[C@H](C)S(=O)(=O)CC(=O)NC1CCCCC1 ZINC000078882214 158075333 /nfs/dbraw/zinc/07/53/33/158075333.db2.gz LLRMZIIBHFLHCW-JTQLQIEISA-N 0 0 305.396 0.802 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000079051797 158076495 /nfs/dbraw/zinc/07/64/95/158076495.db2.gz ZBFNZIZHNYIKQY-PELKAZGASA-N 0 0 321.299 0.458 10 0 DCAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCOCCC(C)C)C1 ZINC000079198962 158077674 /nfs/dbraw/zinc/07/76/74/158077674.db2.gz JHQAWXHQQBCXHO-HNNXBMFYSA-N 0 0 313.442 0.766 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(C)CCOC ZINC000088787038 158095735 /nfs/dbraw/zinc/09/57/35/158095735.db2.gz RUWKETLVYNVHTI-SNVBAGLBSA-N 0 0 317.415 0.088 10 0 DCAERN CC[C@@H](CSC)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000091151043 158106251 /nfs/dbraw/zinc/10/62/51/158106251.db2.gz QPZOCRBYWRDBHJ-JTQLQIEISA-N 0 0 323.422 0.730 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H](C)CS(C)(=O)=O)cnc12 ZINC000091055181 158106315 /nfs/dbraw/zinc/10/63/15/158106315.db2.gz YVCPXIBVVGQEQB-JTQLQIEISA-N 0 0 323.374 0.166 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)c1cnc2c(C)cccn2c1=O ZINC000091048899 158106748 /nfs/dbraw/zinc/10/67/48/158106748.db2.gz UVFLHIKWFKFZBB-LBPRGKRZSA-N 0 0 314.345 0.354 10 0 DCAERN COc1ccc(/C(C)=C/C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091779499 158109461 /nfs/dbraw/zinc/10/94/61/158109461.db2.gz MGVIDGOXEGQPKX-CFRMROPGSA-N 0 0 304.346 0.811 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000091779801 158109473 /nfs/dbraw/zinc/10/94/73/158109473.db2.gz IZUJVZFWDLRTMZ-JTQLQIEISA-N 0 0 318.358 0.531 10 0 DCAERN CCOC(=O)N[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)C(C)C ZINC000112647429 158142835 /nfs/dbraw/zinc/14/28/35/158142835.db2.gz BSQITQRXEZWOIG-ZYHUDNBSSA-N 0 0 309.370 0.480 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)c1cnn(C)c1 ZINC000114294777 158151653 /nfs/dbraw/zinc/15/16/53/158151653.db2.gz UVGSWRAQTYNFBC-UHFFFAOYSA-N 0 0 321.358 0.953 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114442685 158153370 /nfs/dbraw/zinc/15/33/70/158153370.db2.gz OJPMLOMIYVFTRU-ZYHUDNBSSA-N 0 0 304.350 0.355 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCN(CC(F)F)CC2)C1=O ZINC000114835946 158157744 /nfs/dbraw/zinc/15/77/44/158157744.db2.gz AFWFRYRJPSYKKU-NSHDSACASA-N 0 0 318.368 0.588 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)N(C)C(C)C)CC2 ZINC000114874271 158159228 /nfs/dbraw/zinc/15/92/28/158159228.db2.gz KPKLCBDJTWCODI-SNVBAGLBSA-N 0 0 301.416 0.330 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccnn1C)CC2 ZINC000114931998 158159929 /nfs/dbraw/zinc/15/99/29/158159929.db2.gz HBHSJUFVEMLLMV-JTQLQIEISA-N 0 0 303.370 0.388 10 0 DCAERN Cc1noc(COCC(=O)N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116118306 158164431 /nfs/dbraw/zinc/16/44/31/158164431.db2.gz BATNJSPPHPVOCL-NSHDSACASA-N 0 0 305.338 0.644 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116113496 158164962 /nfs/dbraw/zinc/16/49/62/158164962.db2.gz DCZNUVVXKXMAIM-DGCLKSJQSA-N 0 0 308.407 0.657 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CC(=O)N(C)C3)CC2)n1 ZINC000116669377 158165898 /nfs/dbraw/zinc/16/58/98/158165898.db2.gz HHTFVQWHPVKPIL-ZDUSSCGKSA-N 0 0 316.405 0.953 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC000116830894 158167545 /nfs/dbraw/zinc/16/75/45/158167545.db2.gz SGQPHMPBMCSHRZ-VXGBXAGGSA-N 0 0 304.412 0.486 10 0 DCAERN Cc1ccc(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116929935 158168406 /nfs/dbraw/zinc/16/84/06/158168406.db2.gz CTMIZBKGKFKLSY-CYBMUJFWSA-N 0 0 311.407 0.828 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOC)C[C@@H]1CC ZINC000116898928 158168807 /nfs/dbraw/zinc/16/88/07/158168807.db2.gz UFZBSYOABLLVRI-ZDUSSCGKSA-N 0 0 308.444 0.395 10 0 DCAERN C[C@@H](C(=O)N1CCCCCC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891715 158169000 /nfs/dbraw/zinc/16/90/00/158169000.db2.gz FIHUGDAZGYXNSB-STQMWFEESA-N 0 0 317.455 0.401 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccc(OC)nc2)C[C@H]1C ZINC000117473337 158172465 /nfs/dbraw/zinc/17/24/65/158172465.db2.gz OMWKZYWYJKDWQS-CYBMUJFWSA-N 0 0 322.409 0.952 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000117807932 158173307 /nfs/dbraw/zinc/17/33/07/158173307.db2.gz QQLSXLLZXMUNJE-SUNKGSAMSA-N 0 0 324.402 0.701 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000118765577 158178955 /nfs/dbraw/zinc/17/89/55/158178955.db2.gz SQUNYOBWPMSSTD-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN CCc1ncc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000118963973 158180835 /nfs/dbraw/zinc/18/08/35/158180835.db2.gz HRSMKMSZKRIQDC-CYBMUJFWSA-N 0 0 305.382 0.977 10 0 DCAERN CC[C@H](C)[C@@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000119196042 158184006 /nfs/dbraw/zinc/18/40/06/158184006.db2.gz XLSCHWVLVABXJG-RVMXOQNASA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC2(O)CCCC2)[C@H](C)CO1 ZINC000119823383 158190683 /nfs/dbraw/zinc/19/06/83/158190683.db2.gz BTBYNNALBAFXSH-VXGBXAGGSA-N 0 0 306.428 0.577 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCCN2CCCC2=O)C1 ZINC000119882953 158191377 /nfs/dbraw/zinc/19/13/77/158191377.db2.gz ZWHDPULMFHJUTE-STQMWFEESA-N 0 0 317.455 0.811 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120016386 158192615 /nfs/dbraw/zinc/19/26/15/158192615.db2.gz YWWSTERDMHAUPW-ZIAGYGMSSA-N 0 0 306.472 0.587 10 0 DCAERN O=C(COCC1CC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120117374 158193331 /nfs/dbraw/zinc/19/33/31/158193331.db2.gz IAENDPKGGONTOP-ZDUSSCGKSA-N 0 0 316.423 0.440 10 0 DCAERN CCCCN(CC(N)=O)C(=O)CNC(=O)c1ccccc1C ZINC000120687517 158202945 /nfs/dbraw/zinc/20/29/45/158202945.db2.gz ZUJHUAXLZHALPO-UHFFFAOYSA-N 0 0 305.378 0.839 10 0 DCAERN O=C(c1ccnc(-n2cncn2)c1)N1CCC(n2cncn2)CC1 ZINC000120810753 158203889 /nfs/dbraw/zinc/20/38/89/158203889.db2.gz MLKWYOHLKMTPJC-UHFFFAOYSA-N 0 0 324.348 0.731 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000120930487 158205126 /nfs/dbraw/zinc/20/51/26/158205126.db2.gz PAUTVQPUCKRFKW-ZDUSSCGKSA-N 0 0 318.395 0.844 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000121508091 158211661 /nfs/dbraw/zinc/21/16/61/158211661.db2.gz CXDDQTGVKRXYBD-JTQLQIEISA-N 0 0 301.416 0.852 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000121487859 158211699 /nfs/dbraw/zinc/21/16/99/158211699.db2.gz MXSFMVWSBUULMO-NSHDSACASA-N 0 0 307.394 0.372 10 0 DCAERN C[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000121832897 158215580 /nfs/dbraw/zinc/21/55/80/158215580.db2.gz FLEAXIMIODXKGW-SECBINFHSA-N 0 0 304.306 0.514 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)CCS1(=O)=O ZINC000122015044 158217840 /nfs/dbraw/zinc/21/78/40/158217840.db2.gz NAVLTLWTLJEIGD-ZYHUDNBSSA-N 0 0 322.386 0.758 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000123254948 158228036 /nfs/dbraw/zinc/22/80/36/158228036.db2.gz SNYBEPHVLHIHOI-WBMJQRKESA-N 0 0 320.393 0.821 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000124529667 158243516 /nfs/dbraw/zinc/24/35/16/158243516.db2.gz OCONGETVUDGWMA-BXKDBHETSA-N 0 0 308.382 0.528 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H](N3CCOCC3)C2)[nH]n1 ZINC000124821953 158247532 /nfs/dbraw/zinc/24/75/32/158247532.db2.gz XJUPSPQDIHZUDL-DOMZBBRYSA-N 0 0 321.425 0.765 10 0 DCAERN C[C@H](NC(=O)Nc1ccnn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000125012552 158249301 /nfs/dbraw/zinc/24/93/01/158249301.db2.gz GEJHSFABBSXJLU-VIFPVBQESA-N 0 0 323.378 0.950 10 0 DCAERN CCOCCOCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000125078613 158250988 /nfs/dbraw/zinc/25/09/88/158250988.db2.gz GPJUMQBGEVZGMY-HNNXBMFYSA-N 0 0 306.362 0.739 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)CCC1=O ZINC000126080204 158262001 /nfs/dbraw/zinc/26/20/01/158262001.db2.gz GFQYZTAQPHTENK-DGCLKSJQSA-N 0 0 307.350 0.983 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnc(C(F)(F)F)nc1 ZINC000127083366 158270189 /nfs/dbraw/zinc/27/01/89/158270189.db2.gz KRMWSBDVAYMJRE-MRVPVSSYSA-N 0 0 312.255 0.832 10 0 DCAERN CS[C@@H](CO)[C@@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000126998197 158270532 /nfs/dbraw/zinc/27/05/32/158270532.db2.gz RHUXWPWINKAKHE-YPMHNXCESA-N 0 0 310.419 0.953 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127777555 158276178 /nfs/dbraw/zinc/27/61/78/158276178.db2.gz VBLOUIXMUPSPQV-LRDDRELGSA-N 0 0 308.378 0.679 10 0 DCAERN O=C(NCCCO[C@@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 ZINC000128077913 158277997 /nfs/dbraw/zinc/27/79/97/158277997.db2.gz VBAAXSGSYQEYNT-UONOGXRCSA-N 0 0 323.397 0.820 10 0 DCAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1COc2ccccc21 ZINC000128641863 158282380 /nfs/dbraw/zinc/28/23/80/158282380.db2.gz XXCKKEFNIZNCSG-GXSJLCMTSA-N 0 0 315.333 0.058 10 0 DCAERN CNC(=O)NC(=O)CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000129103207 158286450 /nfs/dbraw/zinc/28/64/50/158286450.db2.gz ZEULLIYPKULDIS-CYBMUJFWSA-N 0 0 309.341 0.963 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H](c2ccco2)C1 ZINC000129122701 158286546 /nfs/dbraw/zinc/28/65/46/158286546.db2.gz FZDMLJHNNMXLBN-YPMHNXCESA-N 0 0 317.349 0.969 10 0 DCAERN COc1cccc([C@H]2CN(C(=O)Cn3cnnn3)CCO2)c1 ZINC000130070859 158293362 /nfs/dbraw/zinc/29/33/62/158293362.db2.gz NJYIWVRRIOWEMF-CYBMUJFWSA-N 0 0 303.322 0.282 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000130935792 158297489 /nfs/dbraw/zinc/29/74/89/158297489.db2.gz DUUGIXGDNMPPCP-SDDRHHMPSA-N 0 0 302.440 0.862 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000131930827 158306408 /nfs/dbraw/zinc/30/64/08/158306408.db2.gz RZDINSLNVQECPX-LBPRGKRZSA-N 0 0 318.377 0.703 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000132405912 158310454 /nfs/dbraw/zinc/31/04/54/158310454.db2.gz KCHHVWNZMCCCOL-BDAKNGLRSA-N 0 0 310.379 0.875 10 0 DCAERN CCc1oc(C(=O)NCCN2CCS(=O)(=O)CC2)cc1C ZINC000132435196 158310671 /nfs/dbraw/zinc/31/06/71/158310671.db2.gz VGDJFOJICOMDHI-UHFFFAOYSA-N 0 0 314.407 0.611 10 0 DCAERN C[C@H](C(=O)Nc1cnc(Br)cn1)S(C)(=O)=O ZINC000132995695 158315408 /nfs/dbraw/zinc/31/54/08/158315408.db2.gz HXJTVHNDRVBWOX-RXMQYKEDSA-N 0 0 308.157 0.611 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000133230019 158317098 /nfs/dbraw/zinc/31/70/98/158317098.db2.gz PDBVJPUIYLYHSR-GFCCVEGCSA-N 0 0 320.393 0.709 10 0 DCAERN Cn1cc(CC(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135267311 158335081 /nfs/dbraw/zinc/33/50/81/158335081.db2.gz FRJMLFJNXCUXOP-ZDUSSCGKSA-N 0 0 300.366 0.538 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000135577877 158338555 /nfs/dbraw/zinc/33/85/55/158338555.db2.gz CQEGECMVPOBIHZ-WCQYABFASA-N 0 0 316.423 0.580 10 0 DCAERN COc1ccccc1N1CC[C@H](N2CCNC(=O)CC2)C1=O ZINC000151009296 158348770 /nfs/dbraw/zinc/34/87/70/158348770.db2.gz YSXKXJBIFYODIX-ZDUSSCGKSA-N 0 0 303.362 0.622 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000164982843 158363248 /nfs/dbraw/zinc/36/32/48/158363248.db2.gz ZVVAJIWTPBYEDM-AWEZNQCLSA-N 0 0 307.394 0.770 10 0 DCAERN O=C(CN1CCCCCC1=O)NCCc1nnc2n1CCCC2 ZINC000166381330 158366277 /nfs/dbraw/zinc/36/62/77/158366277.db2.gz SJPHQSUKIFBPMJ-UHFFFAOYSA-N 0 0 319.409 0.676 10 0 DCAERN COC(=O)CCCCCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC000168842172 158372674 /nfs/dbraw/zinc/37/26/74/158372674.db2.gz JEZCDDODCCKLFC-NSHDSACASA-N 0 0 305.396 0.803 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000171275017 158380398 /nfs/dbraw/zinc/38/03/98/158380398.db2.gz WTNRSEVNJSAPAL-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H]1CN(CC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000171303855 158382166 /nfs/dbraw/zinc/38/21/66/158382166.db2.gz ZQURHRZRBMXSCE-KBPBESRZSA-N 0 0 318.483 0.852 10 0 DCAERN O=C(CN1CCN(C(=O)N[C@H]2CCCOC2)CC1)N1CCCC1 ZINC000171617954 158384654 /nfs/dbraw/zinc/38/46/54/158384654.db2.gz ABBXFZMMJVCBSG-AWEZNQCLSA-N 0 0 324.425 0.115 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@@H]3CCCOC3)CC2)n1 ZINC000171685759 158385803 /nfs/dbraw/zinc/38/58/03/158385803.db2.gz DGDZVIFBZZJPIE-CYBMUJFWSA-N 0 0 320.393 0.997 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)CC3)CC2=O)cc1 ZINC000171660441 158385926 /nfs/dbraw/zinc/38/59/26/158385926.db2.gz ZPEAIZOZZPEJLK-CYBMUJFWSA-N 0 0 320.414 0.939 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171744742 158386339 /nfs/dbraw/zinc/38/63/39/158386339.db2.gz IJWCWHRMDQMCNS-ZBFHGGJFSA-N 0 0 317.389 0.956 10 0 DCAERN Cc1cc(C(=O)N2CCCN(Cc3noc(C)n3)CC2)[nH]n1 ZINC000171760199 158386431 /nfs/dbraw/zinc/38/64/31/158386431.db2.gz DPKICYRGMZYQFN-UHFFFAOYSA-N 0 0 304.354 0.758 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)N(CC)CC ZINC000171767812 158386502 /nfs/dbraw/zinc/38/65/02/158386502.db2.gz YCZPMVLREDHXOK-LBPRGKRZSA-N 0 0 305.444 0.906 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000171838558 158387527 /nfs/dbraw/zinc/38/75/27/158387527.db2.gz GHYFAQMCIHUZAK-LBPRGKRZSA-N 0 0 300.355 0.866 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000172004895 158389545 /nfs/dbraw/zinc/38/95/45/158389545.db2.gz KUCOWYIYKAJHLP-AAEUAGOBSA-N 0 0 319.336 0.989 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000172449369 158394869 /nfs/dbraw/zinc/39/48/69/158394869.db2.gz QNOAQTCWUNUDJC-VXGBXAGGSA-N 0 0 324.402 0.864 10 0 DCAERN COC(=O)c1oc(CN2CCS(=O)(=O)[C@@H](C)C2)cc1C ZINC000172552470 158395440 /nfs/dbraw/zinc/39/54/40/158395440.db2.gz UGBHALOXBQYXPP-JTQLQIEISA-N 0 0 301.364 0.994 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172543110 158395749 /nfs/dbraw/zinc/39/57/49/158395749.db2.gz RGYLSNRJZQPDBS-AGIUHOORSA-N 0 0 312.414 0.050 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1cnn(-c2ncccn2)c1 ZINC000172555624 158395845 /nfs/dbraw/zinc/39/58/45/158395845.db2.gz JELUMIYEZNXAQH-UHFFFAOYSA-N 0 0 323.316 0.426 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)c2cccc3ncccc32)n1 ZINC000172671150 158397615 /nfs/dbraw/zinc/39/76/15/158397615.db2.gz AHSCEBRHDDAVHK-UHFFFAOYSA-N 0 0 310.317 0.825 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172747983 158398593 /nfs/dbraw/zinc/39/85/93/158398593.db2.gz RFCWLIOWFSXODT-OLZOCXBDSA-N 0 0 311.426 0.470 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c(=O)n(C)c1=O ZINC000173085083 158403294 /nfs/dbraw/zinc/40/32/94/158403294.db2.gz JCELTZBHJGPSRO-LBPRGKRZSA-N 0 0 319.292 0.165 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)c2cc3ccccc3[nH]2)no1 ZINC000173492516 158406483 /nfs/dbraw/zinc/40/64/83/158406483.db2.gz SBUOFCZYMHKKJL-UHFFFAOYSA-N 0 0 313.317 0.906 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000174757194 158420918 /nfs/dbraw/zinc/42/09/18/158420918.db2.gz CMDKZIRPVMJHOQ-UHFFFAOYSA-N 0 0 323.418 0.947 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(=O)NC(C)(C)C ZINC000176223124 158434084 /nfs/dbraw/zinc/43/40/84/158434084.db2.gz QNRVIHWSIUKLHU-SNVBAGLBSA-N 0 0 322.413 0.889 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)CNC(=O)c1ccccc1C ZINC000176608220 158439529 /nfs/dbraw/zinc/43/95/29/158439529.db2.gz PPTQFLPBCCIAMD-MRXNPFEDSA-N 0 0 308.378 0.629 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000177683596 158449104 /nfs/dbraw/zinc/44/91/04/158449104.db2.gz RVYZJSAARWRTQF-FPMFFAJLSA-N 0 0 318.377 0.933 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc(-n2cccn2)ccn1)C(C)C ZINC000178696447 158462537 /nfs/dbraw/zinc/46/25/37/158462537.db2.gz QOGGUTVUWNPGCF-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178698083 158462580 /nfs/dbraw/zinc/46/25/80/158462580.db2.gz VTYKAHGIMSVYIH-GDBMZVCRSA-N 0 0 311.341 0.586 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000178960215 158467330 /nfs/dbraw/zinc/46/73/30/158467330.db2.gz HNWYMCNHGJQLHS-HNNXBMFYSA-N 0 0 316.405 0.304 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000183775836 158502400 /nfs/dbraw/zinc/50/24/00/158502400.db2.gz YONPQYMCQDNQJW-ZDUSSCGKSA-N 0 0 324.425 0.555 10 0 DCAERN COC(=O)C1(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000185361779 158519477 /nfs/dbraw/zinc/51/94/77/158519477.db2.gz IUHQFLALGNQSPJ-JTQLQIEISA-N 0 0 306.366 0.786 10 0 DCAERN CCc1nc(CNC(=O)N2CC(NC(=O)COC)C2)cs1 ZINC000185395279 158519541 /nfs/dbraw/zinc/51/95/41/158519541.db2.gz IOQGSURFIKLOHI-UHFFFAOYSA-N 0 0 312.395 0.362 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nnc(-c2ccccc2)n1C ZINC000185502199 158521402 /nfs/dbraw/zinc/52/14/02/158521402.db2.gz GGBICQGTDXPKAA-OLZOCXBDSA-N 0 0 316.361 0.590 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C(C)=O)CC1(C)C ZINC000185678451 158523482 /nfs/dbraw/zinc/52/34/82/158523482.db2.gz DUBKBKPCVZCHGW-UHFFFAOYSA-N 0 0 306.428 0.686 10 0 DCAERN CCOCCONC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000185733729 158523927 /nfs/dbraw/zinc/52/39/27/158523927.db2.gz LDMYQPYPHGNCBR-GFCCVEGCSA-N 0 0 311.386 0.656 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000185958878 158525780 /nfs/dbraw/zinc/52/57/80/158525780.db2.gz LARSVJYZRBPZBP-MRVPVSSYSA-N 0 0 311.288 0.322 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186182249 158528126 /nfs/dbraw/zinc/52/81/26/158528126.db2.gz GFIGFRAAYJBYPN-ZETCQYMHSA-N 0 0 314.329 0.868 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCC3(CCO)CC3)C2)cn1 ZINC000187285098 158537270 /nfs/dbraw/zinc/53/72/70/158537270.db2.gz SQELVIFGTZIWOF-ZDUSSCGKSA-N 0 0 321.425 0.851 10 0 DCAERN CN1CCCN(C(=O)c2ccc(N3CCCC3)nn2)CC1=O ZINC000188161504 158543363 /nfs/dbraw/zinc/54/33/63/158543363.db2.gz DXWRWZFRNJJMAA-UHFFFAOYSA-N 0 0 303.366 0.381 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188231680 158543712 /nfs/dbraw/zinc/54/37/12/158543712.db2.gz YEIXAQUWLWBMBE-LLVKDONJSA-N 0 0 314.411 0.197 10 0 DCAERN COc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000188783787 158546963 /nfs/dbraw/zinc/54/69/63/158546963.db2.gz ZVUZVHUKYLXRQF-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN CN1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1=O ZINC000189786740 158555505 /nfs/dbraw/zinc/55/55/05/158555505.db2.gz XHAOWTKGQZNSLL-UHFFFAOYSA-N 0 0 314.345 0.087 10 0 DCAERN CCN1CN(C(=O)CCCNC(=O)c2ccccc2)CC1=O ZINC000190549822 158561347 /nfs/dbraw/zinc/56/13/47/158561347.db2.gz MSUSSCUULQJKNT-UHFFFAOYSA-N 0 0 303.362 0.845 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@@H](O)C2)cc1 ZINC000191208345 158566721 /nfs/dbraw/zinc/56/67/21/158566721.db2.gz NIMPUZANGIJFMH-WCQYABFASA-N 0 0 306.362 0.702 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(Cc1nc(N(C)C)no1)C1CC1 ZINC000191494210 158568720 /nfs/dbraw/zinc/56/87/20/158568720.db2.gz VDALLIJCOBTIGF-VIFPVBQESA-N 0 0 302.400 0.533 10 0 DCAERN COCCN1CCCN(C(=O)Nc2ccc(F)nc2)CC1=O ZINC000191551579 158568878 /nfs/dbraw/zinc/56/88/78/158568878.db2.gz FNBPRQJJWGNRIA-UHFFFAOYSA-N 0 0 310.329 0.933 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)sc1C ZINC000193500054 158585227 /nfs/dbraw/zinc/58/52/27/158585227.db2.gz XHLRLTKCMNUEOT-UHFFFAOYSA-N 0 0 324.406 0.643 10 0 DCAERN CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246219081 158659745 /nfs/dbraw/zinc/65/97/45/158659745.db2.gz FJAFWJRKKXTSLA-DGCLKSJQSA-N 0 0 312.391 0.567 10 0 DCAERN Nc1nccnc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262197841 158784431 /nfs/dbraw/zinc/78/44/31/158784431.db2.gz HRRSULVXUUQHIA-GFCCVEGCSA-N 0 0 311.345 0.984 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C(N)=O)o1 ZINC000276378800 158926422 /nfs/dbraw/zinc/92/64/22/158926422.db2.gz LGQKZUDUPVBILP-PTRXPTGYSA-N 0 0 306.318 0.792 10 0 DCAERN CCC1(CC)CN(c2ccc(C(=O)NC)nn2)CC[S@@]1=O ZINC000302216832 158979151 /nfs/dbraw/zinc/97/91/51/158979151.db2.gz JDZMJBIPYZWBFR-NRFANRHFSA-N 0 0 310.423 0.964 10 0 DCAERN O=C(CCNc1nccn2c1nnc2C1CC1)N1CCOCC1 ZINC000302228125 158979860 /nfs/dbraw/zinc/97/98/60/158979860.db2.gz XEDQWJZGVQLRKZ-UHFFFAOYSA-N 0 0 316.365 0.663 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@@H](C(=O)C2CC2)C1)N1CCCCC1=O ZINC000328681933 159020278 /nfs/dbraw/zinc/02/02/78/159020278.db2.gz OLIJPYULDKNURA-GXTWGEPZSA-N 0 0 322.405 0.984 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328724570 159023921 /nfs/dbraw/zinc/02/39/21/159023921.db2.gz YPZYLVWRFDOIMI-NSHDSACASA-N 0 0 321.410 0.753 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1N1CCOCC1 ZINC000328766019 159028111 /nfs/dbraw/zinc/02/81/11/159028111.db2.gz GZXBKQNZAKNWGI-TYNCELHUSA-N 0 0 319.409 0.089 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000328776322 159028681 /nfs/dbraw/zinc/02/86/81/159028681.db2.gz FMCCVWVKCSLAGK-PHIMTYICSA-N 0 0 314.363 0.269 10 0 DCAERN Cc1noc(C(C)(C)NS(=O)(=O)c2cnc3n2CCC3)n1 ZINC000328816767 159032510 /nfs/dbraw/zinc/03/25/10/159032510.db2.gz CXBDHBOSXKUKPZ-UHFFFAOYSA-N 0 0 311.367 0.734 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328856225 159035419 /nfs/dbraw/zinc/03/54/19/159035419.db2.gz CXPJAZCTULMXRV-ZQDZILKHSA-N 0 0 312.410 0.502 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328868453 159035732 /nfs/dbraw/zinc/03/57/32/159035732.db2.gz HGPRVGDCJWEHRE-RBSFLKMASA-N 0 0 323.437 0.565 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn4ccnc4s3)C[C@@H]21 ZINC000328892908 159039070 /nfs/dbraw/zinc/03/90/70/159039070.db2.gz UFBGVAVOFMCTHD-QWRGUYRKSA-N 0 0 306.391 0.941 10 0 DCAERN O=C([C@@H]1CCc2nncn2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328924829 159042257 /nfs/dbraw/zinc/04/22/57/159042257.db2.gz NVUXPZXDPGBXFF-DVOMOZLQSA-N 0 0 304.394 0.994 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)nn1 ZINC000328930677 159043115 /nfs/dbraw/zinc/04/31/15/159043115.db2.gz ZEBMYPFPDADWEZ-GJZGRUSLSA-N 0 0 321.425 0.869 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@@H]21 ZINC000328945776 159045210 /nfs/dbraw/zinc/04/52/10/159045210.db2.gz JTQLROVUVVOPIA-FPMFFAJLSA-N 0 0 320.393 0.459 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000328987138 159049949 /nfs/dbraw/zinc/04/99/49/159049949.db2.gz BZWWRUQNUDBFNV-VXGBXAGGSA-N 0 0 307.398 0.089 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@@]2(CCCOC2)C1 ZINC000329132906 159065553 /nfs/dbraw/zinc/06/55/53/159065553.db2.gz AXWBEWUPEBHGKN-HNNXBMFYSA-N 0 0 302.334 0.751 10 0 DCAERN Cc1nccn1-c1cncc(N(C)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000329150117 159067192 /nfs/dbraw/zinc/06/71/92/159067192.db2.gz RFPODIWJDQFLSO-LBPRGKRZSA-N 0 0 321.406 0.842 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cnn3ccncc23)CC(C)(C)O1 ZINC000329196813 159072128 /nfs/dbraw/zinc/07/21/28/159072128.db2.gz TXVQKXQCMINKQF-NSHDSACASA-N 0 0 304.350 0.995 10 0 DCAERN O=S(=O)(CC1CCOCC1)NCc1ccnc2ccnn21 ZINC000329251363 159076918 /nfs/dbraw/zinc/07/69/18/159076918.db2.gz UXCYDXFLTQVMIL-UHFFFAOYSA-N 0 0 310.379 0.575 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329434070 159092620 /nfs/dbraw/zinc/09/26/20/159092620.db2.gz LGZSTEDOLPUUPJ-SDDRHHMPSA-N 0 0 305.396 0.216 10 0 DCAERN O=C1NC[C@@H]2CN(CCc3ccc4c(c3)OCCO4)CCN12 ZINC000329437115 159092839 /nfs/dbraw/zinc/09/28/39/159092839.db2.gz JGKCSQNMHZEYFT-CYBMUJFWSA-N 0 0 303.362 0.914 10 0 DCAERN Cc1cnn(CCN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 ZINC000329440346 159093740 /nfs/dbraw/zinc/09/37/40/159093740.db2.gz KAQAGWZQNDXMET-SZNDQCEHSA-N 0 0 307.423 0.731 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCO1 ZINC000329583531 159104746 /nfs/dbraw/zinc/10/47/46/159104746.db2.gz VXWNKJITDZAMDB-RAIGVLPGSA-N 0 0 310.354 0.115 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NCCN2CCOC(C)(C)C2)CCO1 ZINC000329581311 159105071 /nfs/dbraw/zinc/10/50/71/159105071.db2.gz LFZXSLQZCZYSPL-OLZOCXBDSA-N 0 0 320.455 0.584 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)c1cc(C)nc(C)n1)CC2 ZINC000329655414 159108890 /nfs/dbraw/zinc/10/88/90/159108890.db2.gz FSDYYLOLHXKQSK-NSHDSACASA-N 0 0 316.365 0.576 10 0 DCAERN CC1(CCS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000329648637 159109152 /nfs/dbraw/zinc/10/91/52/159109152.db2.gz BQZHQUYZHBOIDW-UHFFFAOYSA-N 0 0 310.441 0.084 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329701889 159113323 /nfs/dbraw/zinc/11/33/23/159113323.db2.gz HQJGDBYSGZJYET-YNEHKIRRSA-N 0 0 308.382 0.999 10 0 DCAERN CCN1CCN(C(=O)CN2CCOCC2=O)c2ccccc21 ZINC000329858428 159124513 /nfs/dbraw/zinc/12/45/13/159124513.db2.gz OADYOSXKYSICHW-UHFFFAOYSA-N 0 0 303.362 0.718 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329889616 159126763 /nfs/dbraw/zinc/12/67/63/159126763.db2.gz DUXYSWLNSMXGAJ-SMDDNHRTSA-N 0 0 314.407 0.316 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@]2(OC)CCOC2)C[C@@H]1N1CCOCC1 ZINC000329943987 159130556 /nfs/dbraw/zinc/13/05/56/159130556.db2.gz WNPACCLBUCXBBY-YCPHGPKFSA-N 0 0 312.410 0.361 10 0 DCAERN COCCN1CCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000330012846 159135592 /nfs/dbraw/zinc/13/55/92/159135592.db2.gz LGBNJZJFPVYWHD-AWEZNQCLSA-N 0 0 311.426 0.568 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)C2(O)CCOCC2)CC1 ZINC000330063283 159139025 /nfs/dbraw/zinc/13/90/25/159139025.db2.gz PYFPVVXVNXUJNV-UHFFFAOYSA-N 0 0 307.394 0.743 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000330119308 159143521 /nfs/dbraw/zinc/14/35/21/159143521.db2.gz ZQMCTBMHLLIAQC-CJNGLKHVSA-N 0 0 310.394 0.794 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCO[C@H](C2CC2)C1)n1cccn1 ZINC000330128792 159144335 /nfs/dbraw/zinc/14/43/35/159144335.db2.gz JPMACSPARFCJPV-OCCSQVGLSA-N 0 0 320.393 0.540 10 0 DCAERN CO[C@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@@H]1OC ZINC000330191436 159149022 /nfs/dbraw/zinc/14/90/22/159149022.db2.gz NBIOXYBGCCOHAA-RYUDHWBXSA-N 0 0 304.306 0.216 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CC[C@@H]3CCC[C@@H]31)c2=O ZINC000330286709 159156791 /nfs/dbraw/zinc/15/67/91/159156791.db2.gz AVHRVAQIVRTYCN-JQWIXIFHSA-N 0 0 301.350 0.531 10 0 DCAERN CC[C@@]1(C)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@H]32)C1=O ZINC000330309420 159159110 /nfs/dbraw/zinc/15/91/10/159159110.db2.gz UEGULRYFZHNYCL-JRPNMDOOSA-N 0 0 309.366 0.691 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000330438536 159173219 /nfs/dbraw/zinc/17/32/19/159173219.db2.gz SKARGCJPEVKPQD-SNVBAGLBSA-N 0 0 301.412 0.281 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000332724385 159210981 /nfs/dbraw/zinc/21/09/81/159210981.db2.gz LBPCUTGHBSADMM-OLZOCXBDSA-N 0 0 319.409 0.989 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000332903474 159216103 /nfs/dbraw/zinc/21/61/03/159216103.db2.gz PYXXJIYNAMNNLR-HLPPOEQASA-N 0 0 324.421 0.945 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCO3)CC(=O)N2C)cnn1C ZINC000332994746 159218918 /nfs/dbraw/zinc/21/89/18/159218918.db2.gz XPFLYIWBKBLUQS-HUBLWGQQSA-N 0 0 320.393 0.543 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000348259357 159236885 /nfs/dbraw/zinc/23/68/85/159236885.db2.gz LLIMGMCTXTZGDL-ZWKOPEQDSA-N 0 0 310.300 0.878 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000359282003 159261993 /nfs/dbraw/zinc/26/19/93/159261993.db2.gz DJFRUNWNRAMDKU-LLVKDONJSA-N 0 0 300.384 0.139 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1=O ZINC000366833127 159292030 /nfs/dbraw/zinc/29/20/30/159292030.db2.gz UTULLCYHQCFDNW-BJJPWKGXSA-N 0 0 309.410 0.798 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCCC[C@H]1c1ccnn1C ZINC000366945579 159300241 /nfs/dbraw/zinc/30/02/41/159300241.db2.gz LYPDZRBGNLFDTI-LBPRGKRZSA-N 0 0 316.365 0.846 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000367016577 159304462 /nfs/dbraw/zinc/30/44/62/159304462.db2.gz RDXQDXVYQZSXEA-NSHDSACASA-N 0 0 321.381 0.924 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000367259007 159325314 /nfs/dbraw/zinc/32/53/14/159325314.db2.gz GDDYGKBWHNRVAY-RNJOBUHISA-N 0 0 320.393 0.668 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000367493106 159340912 /nfs/dbraw/zinc/34/09/12/159340912.db2.gz NRGSLQVQRWRBEY-KRWDZBQOSA-N 0 0 314.389 0.744 10 0 DCAERN CC(C)c1nnc2n1CCN(CCS(=O)(=O)N(C)C)[C@H]2C ZINC000367525193 159342415 /nfs/dbraw/zinc/34/24/15/159342415.db2.gz RNKUAXIXVISNDP-NSHDSACASA-N 0 0 315.443 0.670 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN1CCOCC[C@H]1C)c1ccccc1 ZINC000367668850 159350188 /nfs/dbraw/zinc/35/01/88/159350188.db2.gz YMILCKCXAYFTDJ-CZUORRHYSA-N 0 0 319.405 0.701 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000367675064 159350453 /nfs/dbraw/zinc/35/04/53/159350453.db2.gz OYLQDSCGLZMASL-NWBUJAPZSA-N 0 0 309.362 0.986 10 0 DCAERN O=C(NC1Cc2ccccc2C1)N1CCN2CCOC[C@@H]2C1 ZINC000368122709 159376255 /nfs/dbraw/zinc/37/62/55/159376255.db2.gz WBMZSFHIRJEBHI-INIZCTEOSA-N 0 0 301.390 0.880 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](COC)C1 ZINC000369631579 159470866 /nfs/dbraw/zinc/47/08/66/159470866.db2.gz ZMZMLVIMYRGTGP-MNOVXSKESA-N 0 0 302.396 0.172 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCC(=O)NCC1CC1 ZINC000370012131 159492730 /nfs/dbraw/zinc/49/27/30/159492730.db2.gz WJZBBNWWEQNPBE-LBPRGKRZSA-N 0 0 305.382 0.623 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CC(n2ccnn2)C1 ZINC000371612093 159577105 /nfs/dbraw/zinc/57/71/05/159577105.db2.gz QTZWRQDSVOJKJI-UHFFFAOYSA-N 0 0 309.329 0.788 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](N2CCOCC2)C1 ZINC000372623483 159634927 /nfs/dbraw/zinc/63/49/27/159634927.db2.gz ANZYWIMMRMJWBV-CJNGLKHVSA-N 0 0 318.373 0.760 10 0 DCAERN CCCN(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374639662 159743897 /nfs/dbraw/zinc/74/38/97/159743897.db2.gz IJMSWVQQPQUNJQ-CHWSQXEVSA-N 0 0 320.455 0.730 10 0 DCAERN CC[C@H](C)N1CC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000376026305 159834079 /nfs/dbraw/zinc/83/40/79/159834079.db2.gz QQMRQLSPLGHOFA-WCQYABFASA-N 0 0 323.393 0.829 10 0 DCAERN Cn1nnc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000376991193 159889365 /nfs/dbraw/zinc/88/93/65/159889365.db2.gz CZZHVMVRFLGCOF-QWRGUYRKSA-N 0 0 322.394 0.189 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1=O ZINC000378166128 159966875 /nfs/dbraw/zinc/96/68/75/159966875.db2.gz OVVLHNFWIBNLQM-WUWHUORYSA-N 0 0 317.393 0.576 10 0 DCAERN CC(=O)N1CCOC[C@@H]1C(=O)N(C)Cc1ncc(Cl)n1C ZINC000378499876 159985657 /nfs/dbraw/zinc/98/56/57/159985657.db2.gz SHZLMYNCRCZLFH-SNVBAGLBSA-N 0 0 314.773 0.279 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)CCC(=O)NC1 ZINC000407958475 159997069 /nfs/dbraw/zinc/99/70/69/159997069.db2.gz PFQHWFCMUUBTFV-XRNSZHNASA-N 0 0 308.300 0.817 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC(=O)N1C ZINC000407961794 159997660 /nfs/dbraw/zinc/99/76/60/159997660.db2.gz AODCTRVIQLTDCN-NEPJUHHUSA-N 0 0 321.381 0.614 10 0 DCAERN CO[C@@H](C)c1nsc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000407977539 160000641 /nfs/dbraw/zinc/00/06/41/160000641.db2.gz STGHPJQVDXOVSJ-QMMMGPOBSA-N 0 0 306.413 0.327 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000407978809 160001447 /nfs/dbraw/zinc/00/14/47/160001447.db2.gz HQCBDBRUJRHSQP-AAEUAGOBSA-N 0 0 309.410 0.522 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000407990725 160004726 /nfs/dbraw/zinc/00/47/26/160004726.db2.gz QNCSHWOCFAIXRH-GFCCVEGCSA-N 0 0 313.423 0.235 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000407997307 160005876 /nfs/dbraw/zinc/00/58/76/160005876.db2.gz GUWCZTHECZLDOV-CQSZACIVSA-N 0 0 309.410 0.714 10 0 DCAERN CCCN(C(=O)[C@H]1CCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408002209 160007903 /nfs/dbraw/zinc/00/79/03/160007903.db2.gz CVFPIALFLNZIMF-QWHCGFSZSA-N 0 0 316.423 0.281 10 0 DCAERN CCCN(C(=O)[C@@H]1CCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000408002205 160008150 /nfs/dbraw/zinc/00/81/50/160008150.db2.gz CVFPIALFLNZIMF-CHWSQXEVSA-N 0 0 316.423 0.281 10 0 DCAERN CCn1nncc1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408007864 160009397 /nfs/dbraw/zinc/00/93/97/160009397.db2.gz FOMDEGNJNAZIQO-GFCCVEGCSA-N 0 0 305.382 0.773 10 0 DCAERN CCc1onc(C)c1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408009176 160009567 /nfs/dbraw/zinc/00/95/67/160009567.db2.gz PTRMYUCCYIETTB-VIFPVBQESA-N 0 0 316.383 0.701 10 0 DCAERN CN1C(=O)CCc2cc(C(=O)N[C@@H]3CCCNC3=O)ccc21 ZINC000408007594 160009600 /nfs/dbraw/zinc/00/96/00/160009600.db2.gz JDBMJTLYXCNYIG-GFCCVEGCSA-N 0 0 301.346 0.604 10 0 DCAERN C[C@@H](Cn1cncn1)NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408007209 160009655 /nfs/dbraw/zinc/00/96/55/160009655.db2.gz GNQAWTSQRYRZQG-UTUOFQBUSA-N 0 0 301.416 0.479 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)C1 ZINC000408011143 160010629 /nfs/dbraw/zinc/01/06/29/160010629.db2.gz SNPRFBMCTUANSA-HBNTYKKESA-N 0 0 308.300 0.769 10 0 DCAERN CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)N1CCCCCC1 ZINC000408015496 160011328 /nfs/dbraw/zinc/01/13/28/160011328.db2.gz CKPGGFBIRGZCEL-CHWSQXEVSA-N 0 0 322.471 0.855 10 0 DCAERN CC[C@@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C[C@@H]1O ZINC000408017581 160012305 /nfs/dbraw/zinc/01/23/05/160012305.db2.gz NFNIGMQCSIMRRY-NEPJUHHUSA-N 0 0 303.366 0.513 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2CCOC(C)(C)C2)nc(C)n1 ZINC000408016972 160012502 /nfs/dbraw/zinc/01/25/02/160012502.db2.gz KLWUVBVUVTZRIR-UHFFFAOYSA-N 0 0 314.411 0.539 10 0 DCAERN CN(C(=O)N1CCSC[C@@H]1CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000408018603 160012709 /nfs/dbraw/zinc/01/27/09/160012709.db2.gz UEMINYABIVYRRC-WDEREUQCSA-N 0 0 322.452 0.025 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408019736 160012817 /nfs/dbraw/zinc/01/28/17/160012817.db2.gz ANIXEPFBOCTPQZ-NEPJUHHUSA-N 0 0 313.398 0.300 10 0 DCAERN Cn1ncc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1C1CC1 ZINC000408019911 160013309 /nfs/dbraw/zinc/01/33/09/160013309.db2.gz IMMMAWWETHBGCN-JTQLQIEISA-N 0 0 312.395 0.061 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408027473 160015425 /nfs/dbraw/zinc/01/54/25/160015425.db2.gz NWMLVHHNEACSIT-NWDGAFQWSA-N 0 0 322.427 0.078 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000408027659 160015620 /nfs/dbraw/zinc/01/56/20/160015620.db2.gz APNOOJKLHDGQKG-NXEZZACHSA-N 0 0 300.384 0.206 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000408028541 160015665 /nfs/dbraw/zinc/01/56/65/160015665.db2.gz PROLNIITHGVQTD-CMPLNLGQSA-N 0 0 320.411 0.273 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000408031454 160016375 /nfs/dbraw/zinc/01/63/75/160016375.db2.gz UOVZLIDBLZICHS-KBPBESRZSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1nn(C)c(C)c1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408035913 160018560 /nfs/dbraw/zinc/01/85/60/160018560.db2.gz OLOVOIQPWILXLM-HIFRSBDPSA-N 0 0 324.400 0.808 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)O1 ZINC000408035312 160018587 /nfs/dbraw/zinc/01/85/87/160018587.db2.gz KKAUVMNRZUDLIY-UPJWGTAASA-N 0 0 320.393 0.433 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000408048690 160023103 /nfs/dbraw/zinc/02/31/03/160023103.db2.gz ZUZKUFUSGIVJAX-LXTVHRRPSA-N 0 0 319.405 0.762 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000408052337 160023744 /nfs/dbraw/zinc/02/37/44/160023744.db2.gz UEFXDRKQNZPHSD-CJNGLKHVSA-N 0 0 320.393 0.489 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408052554 160024279 /nfs/dbraw/zinc/02/42/79/160024279.db2.gz QQCSYROICOGKKA-UTUOFQBUSA-N 0 0 324.425 0.552 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC2CCSCC2)C1 ZINC000408053716 160024285 /nfs/dbraw/zinc/02/42/85/160024285.db2.gz YUGOWZIXBDPZGV-CQSZACIVSA-N 0 0 300.424 0.619 10 0 DCAERN Cc1noc([C@@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)n1 ZINC000408055405 160025337 /nfs/dbraw/zinc/02/53/37/160025337.db2.gz XVHQKGOGJWFCEL-GFCCVEGCSA-N 0 0 306.366 0.952 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCc3cncnc3C2)nc1C ZINC000408058251 160025765 /nfs/dbraw/zinc/02/57/65/160025765.db2.gz IDGKTCYGNSNKEO-UHFFFAOYSA-N 0 0 307.379 0.748 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCS[C@@H](C)C1 ZINC000408068825 160027517 /nfs/dbraw/zinc/02/75/17/160027517.db2.gz YBTYPMLLTROWKJ-WDEREUQCSA-N 0 0 322.452 0.696 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CCCNC1=O ZINC000408068201 160027690 /nfs/dbraw/zinc/02/76/90/160027690.db2.gz RUEPZGBGGODHNR-YMTOWFKASA-N 0 0 308.338 0.398 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC(C)(C)O1 ZINC000408076198 160030283 /nfs/dbraw/zinc/03/02/83/160030283.db2.gz FDWOVQWXUZGPQY-SECBINFHSA-N 0 0 313.379 0.369 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C1CCN(CC(F)F)CC1 ZINC000408078212 160030664 /nfs/dbraw/zinc/03/06/64/160030664.db2.gz BCVUYBHIPYIRLB-LLVKDONJSA-N 0 0 303.353 0.701 10 0 DCAERN O=C(C1=CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000408080230 160031633 /nfs/dbraw/zinc/03/16/33/160031633.db2.gz MGPFKKUDECZMPR-UHFFFAOYSA-N 0 0 307.375 0.635 10 0 DCAERN OC1(Cn2cnc3c2ncnc3N2CCCC2)CCOCC1 ZINC000408087679 160032372 /nfs/dbraw/zinc/03/23/72/160032372.db2.gz FPUWJEKEWVDMRB-UHFFFAOYSA-N 0 0 303.366 0.968 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCO[C@@H](C)C2)CCO1 ZINC000408086628 160032429 /nfs/dbraw/zinc/03/24/29/160032429.db2.gz KNDNNCAKIGJFKY-SRVKXCTJSA-N 0 0 300.355 0.385 10 0 DCAERN CC(C)c1nnc(CN2CC[C@H](NS(C)(=O)=O)C2)n1C ZINC000408109146 160037719 /nfs/dbraw/zinc/03/77/19/160037719.db2.gz DMVUYVWDVCEQQQ-JTQLQIEISA-N 0 0 301.416 0.062 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408113810 160038410 /nfs/dbraw/zinc/03/84/10/160038410.db2.gz AQVAWZRTLKPDRQ-OIBJUYFYSA-N 0 0 302.352 0.078 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000408113355 160038717 /nfs/dbraw/zinc/03/87/17/160038717.db2.gz RTZOGDDLXZPKLC-NSHDSACASA-N 0 0 311.407 0.834 10 0 DCAERN C[C@H](CCNS(=O)(=O)N1CCOC(C)(C)C1)[S@](C)=O ZINC000408120913 160041050 /nfs/dbraw/zinc/04/10/50/160041050.db2.gz BBWXUASELYEDKB-MGNBDDOMSA-N 0 0 312.457 0.089 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@H]1C ZINC000408134246 160044337 /nfs/dbraw/zinc/04/43/37/160044337.db2.gz RNVGGFRTBAJPGW-CHWSQXEVSA-N 0 0 305.444 0.226 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408136018 160044901 /nfs/dbraw/zinc/04/49/01/160044901.db2.gz APEBFDCJFHBJMK-AVGNSLFASA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408137024 160045111 /nfs/dbraw/zinc/04/51/11/160045111.db2.gz BZZIYVXFQZOFLA-KKOKHZNYSA-N 0 0 303.428 0.802 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000408151189 160048162 /nfs/dbraw/zinc/04/81/62/160048162.db2.gz UAEXMDRYZWNDJE-OUCADQQQSA-N 0 0 309.410 0.903 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC(c3ccnn3C)CC2)CC1 ZINC000408151974 160048527 /nfs/dbraw/zinc/04/85/27/160048527.db2.gz YZJFXAJDDWMCHA-UHFFFAOYSA-N 0 0 304.394 0.995 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000408156528 160049307 /nfs/dbraw/zinc/04/93/07/160049307.db2.gz ZIABCSVZPVTPGM-NSHDSACASA-N 0 0 313.427 0.561 10 0 DCAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 ZINC000408156701 160049357 /nfs/dbraw/zinc/04/93/57/160049357.db2.gz AYTKVVWYRBSQOG-QWRGUYRKSA-N 0 0 304.394 0.748 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408159968 160049771 /nfs/dbraw/zinc/04/97/71/160049771.db2.gz HSXNKMXILUETMN-XQQFMLRXSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)N1CCOCC1 ZINC000408157446 160050057 /nfs/dbraw/zinc/05/00/57/160050057.db2.gz IXTYKCHLPUQEBJ-MJBXVCDLSA-N 0 0 319.471 0.519 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C(=O)N1CCCC[C@@H]1C ZINC000408162844 160050552 /nfs/dbraw/zinc/05/05/52/160050552.db2.gz ZWVQGWVDFAZJRP-XQHKEYJVSA-N 0 0 309.410 0.807 10 0 DCAERN Cc1nc(CCNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)cs1 ZINC000408170770 160051796 /nfs/dbraw/zinc/05/17/96/160051796.db2.gz XUIVYQBTXIHIRV-ZJUUUORDSA-N 0 0 319.452 0.938 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408172008 160052541 /nfs/dbraw/zinc/05/25/41/160052541.db2.gz QNFVYOQABCKHEP-QWRGUYRKSA-N 0 0 321.443 0.117 10 0 DCAERN Cc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)nc(C)n1 ZINC000408196428 160057222 /nfs/dbraw/zinc/05/72/22/160057222.db2.gz CEMZTZGKULJKFG-JTQLQIEISA-N 0 0 312.395 0.199 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1 ZINC000408194884 160057476 /nfs/dbraw/zinc/05/74/76/160057476.db2.gz ZTGBWGXWKZDKEO-ZYHUDNBSSA-N 0 0 305.396 0.769 10 0 DCAERN C[C@@H]1N(C(=O)Cn2ccc(=O)[nH]c2=O)CCC12CCOCC2 ZINC000408198937 160058057 /nfs/dbraw/zinc/05/80/57/160058057.db2.gz PIBIEEWYRCTBSJ-NSHDSACASA-N 0 0 307.350 0.367 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(CC(C)(C)O)CC2)CC(=O)N1 ZINC000408200994 160058173 /nfs/dbraw/zinc/05/81/73/160058173.db2.gz CQBLSQFFNXDFHM-STQMWFEESA-N 0 0 311.426 0.206 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC(=O)N1 ZINC000408203243 160059131 /nfs/dbraw/zinc/05/91/31/160059131.db2.gz KUECTSUUYWMGCK-IJLUTSLNSA-N 0 0 321.381 0.318 10 0 DCAERN Cc1ccc2nc(CN3CC[S@](=O)[C@@H](C)C3)cc(=O)n2c1 ZINC000408209569 160060734 /nfs/dbraw/zinc/06/07/34/160060734.db2.gz CZJXAXBJGFKONE-QKVFXAPYSA-N 0 0 305.403 0.956 10 0 DCAERN Cc1c(C(=O)N2[C@@H](C)COC[C@@H]2C)cnn1-c1ccc(=O)[nH]n1 ZINC000408218231 160062539 /nfs/dbraw/zinc/06/25/39/160062539.db2.gz HKRPPFCNWJQZEJ-UWVGGRQHSA-N 0 0 317.349 0.926 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)[C@@H]1OC ZINC000408227482 160063654 /nfs/dbraw/zinc/06/36/54/160063654.db2.gz BUELETFFLBEAOH-XQHKEYJVSA-N 0 0 306.428 0.745 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000408225024 160064171 /nfs/dbraw/zinc/06/41/71/160064171.db2.gz IXUFMWHVEGPAHN-AVGNSLFASA-N 0 0 309.410 0.666 10 0 DCAERN COc1c(CNS(=O)(=O)N2CC[C@@H](C)C2)c(C)nn1C ZINC000408230025 160064666 /nfs/dbraw/zinc/06/46/66/160064666.db2.gz AVWMOHXALJTJGZ-SECBINFHSA-N 0 0 302.400 0.413 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408237056 160066225 /nfs/dbraw/zinc/06/62/25/160066225.db2.gz RUFDUUQZYUVUKI-VIFPVBQESA-N 0 0 306.384 0.014 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)nc1C ZINC000408241926 160067932 /nfs/dbraw/zinc/06/79/32/160067932.db2.gz NVZRCRZBSYSLNX-UHFFFAOYSA-N 0 0 319.409 0.424 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCC=C(F)C2)cn1C ZINC000408244548 160068305 /nfs/dbraw/zinc/06/83/05/160068305.db2.gz OZXGSYCGSJVSNV-UHFFFAOYSA-N 0 0 315.370 0.975 10 0 DCAERN CN(C)c1ncccc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245969 160068453 /nfs/dbraw/zinc/06/84/53/160068453.db2.gz IBSWCILFEZFENU-INIZCTEOSA-N 0 0 302.378 0.890 10 0 DCAERN CN(C)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)ccn1 ZINC000408244405 160068492 /nfs/dbraw/zinc/06/84/92/160068492.db2.gz CYFAFHPSTRRWJM-MRXNPFEDSA-N 0 0 302.378 0.890 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408249099 160069144 /nfs/dbraw/zinc/06/91/44/160069144.db2.gz YRUMZEBFDCYJRA-DTWKUNHWSA-N 0 0 305.318 0.740 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408250255 160069916 /nfs/dbraw/zinc/06/99/16/160069916.db2.gz KGRXEXLZPCFPNW-HNNXBMFYSA-N 0 0 310.398 0.070 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000408257591 160070492 /nfs/dbraw/zinc/07/04/92/160070492.db2.gz QTTUWAJWGKSLED-YVECIDJPSA-N 0 0 314.382 0.773 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000408257584 160070726 /nfs/dbraw/zinc/07/07/26/160070726.db2.gz QTTUWAJWGKSLED-GVXVVHGQSA-N 0 0 314.382 0.773 10 0 DCAERN Cc1noc(CN2CCN(C(=O)C3CCC(O)CC3)CC2)n1 ZINC000408286946 160076874 /nfs/dbraw/zinc/07/68/74/160076874.db2.gz PFZGDWOKASRFGO-UHFFFAOYSA-N 0 0 308.382 0.573 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cnc2ccccn2c1=O ZINC000408292978 160077410 /nfs/dbraw/zinc/07/74/10/160077410.db2.gz WBAMLNCFFOCWHK-SNVBAGLBSA-N 0 0 300.318 0.045 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3CCCNC(=O)[C@H]3C)c12 ZINC000408289988 160077441 /nfs/dbraw/zinc/07/74/41/160077441.db2.gz GXKFKHXNZLJZCJ-LLVKDONJSA-N 0 0 315.377 0.936 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000408292684 160077554 /nfs/dbraw/zinc/07/75/54/160077554.db2.gz UONFEAAUXPUKRH-AAEUAGOBSA-N 0 0 305.382 0.718 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)CNC(=O)c1ccco1)CCO2 ZINC000408298831 160079095 /nfs/dbraw/zinc/07/90/95/160079095.db2.gz RANOBEIIPHUCMX-IAQYHMDHSA-N 0 0 308.334 0.416 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC)c1 ZINC000408301100 160080160 /nfs/dbraw/zinc/08/01/60/160080160.db2.gz NZYJOBAAENDVSS-JTQLQIEISA-N 0 0 300.384 0.192 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@H]1CCSC1)C(=O)N1CCOCC1 ZINC000408305851 160081466 /nfs/dbraw/zinc/08/14/66/160081466.db2.gz NPTFALJXULIACC-NWDGAFQWSA-N 0 0 300.424 0.739 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000408307981 160081710 /nfs/dbraw/zinc/08/17/10/160081710.db2.gz GOJVZJPBVYGLTB-DLPXFNTNSA-N 0 0 320.480 0.886 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)O1 ZINC000408319042 160083919 /nfs/dbraw/zinc/08/39/19/160083919.db2.gz FFEFGWCHPOZNPO-NWDGAFQWSA-N 0 0 302.440 0.513 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)o1 ZINC000408334699 160086963 /nfs/dbraw/zinc/08/69/63/160086963.db2.gz BXIBCTGHTORXES-UWVGGRQHSA-N 0 0 303.384 0.681 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000408337479 160087696 /nfs/dbraw/zinc/08/76/96/160087696.db2.gz GNFZMLDPTWYNFK-BMIGLBTASA-N 0 0 311.382 0.374 10 0 DCAERN CC1(C)CN(C(=O)[C@@H](CO)NC(N)=O)CC[C@H]1C(F)(F)F ZINC000408341695 160088156 /nfs/dbraw/zinc/08/81/56/160088156.db2.gz IGDMHVPKXAMZBG-HTQZYQBOSA-N 0 0 311.304 0.453 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000408340124 160088401 /nfs/dbraw/zinc/08/84/01/160088401.db2.gz NBTGALNLCOELEO-ATZCPNFKSA-N 0 0 304.437 0.276 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCCSCC2)ccn1 ZINC000408349003 160089844 /nfs/dbraw/zinc/08/98/44/160089844.db2.gz GIQVPSFFJAQFOL-UHFFFAOYSA-N 0 0 301.393 0.308 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000408353500 160090322 /nfs/dbraw/zinc/09/03/22/160090322.db2.gz BPGNRROKHMTPAZ-MLGHIDQZSA-N 0 0 322.409 0.339 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C[C@H]1OC ZINC000408363929 160092152 /nfs/dbraw/zinc/09/21/52/160092152.db2.gz COSJTXTUWNNPMS-YNEHKIRRSA-N 0 0 313.398 0.441 10 0 DCAERN CCCNS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000408361861 160092343 /nfs/dbraw/zinc/09/23/43/160092343.db2.gz JZQCWFHNJFUZLR-JTQLQIEISA-N 0 0 301.416 0.550 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000408373326 160094436 /nfs/dbraw/zinc/09/44/36/160094436.db2.gz KTMPCROBZCGIJI-OUAUKWLOSA-N 0 0 313.423 0.410 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000408379024 160095233 /nfs/dbraw/zinc/09/52/33/160095233.db2.gz YDLOVSDARNRVOI-TZMCWYRMSA-N 0 0 309.410 0.713 10 0 DCAERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000408381783 160095999 /nfs/dbraw/zinc/09/59/99/160095999.db2.gz ODHPRKMIYZNJLE-GDPRMGEGSA-N 0 0 302.400 0.889 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C[C@@H]2C)cnn1C ZINC000408387919 160097365 /nfs/dbraw/zinc/09/73/65/160097365.db2.gz ZRVIFQRKWVEICW-WHOFXGATSA-N 0 0 306.410 0.969 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)CCC2CCOCC2)C1 ZINC000408386645 160097660 /nfs/dbraw/zinc/09/76/60/160097660.db2.gz QNDBDHNDNZHUAW-CQSZACIVSA-N 0 0 318.439 0.733 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000408403993 160101199 /nfs/dbraw/zinc/10/11/99/160101199.db2.gz WUAQLRYIMJGFCQ-YNEHKIRRSA-N 0 0 311.382 0.638 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000408418969 160104173 /nfs/dbraw/zinc/10/41/73/160104173.db2.gz FMRAEZXJCIZMIX-VXGBXAGGSA-N 0 0 320.397 0.813 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC(C(C)(C)O)C3)nc2n1 ZINC000408422579 160105194 /nfs/dbraw/zinc/10/51/94/160105194.db2.gz JCCLYZRBKCKURY-UHFFFAOYSA-N 0 0 303.366 0.513 10 0 DCAERN C[C@H]([C@H](C)N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C)S(C)(=O)=O ZINC000408425980 160106271 /nfs/dbraw/zinc/10/62/71/160106271.db2.gz IINNYHQWQNVKAQ-MMWGEVLESA-N 0 0 319.427 0.117 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C ZINC000408433113 160106647 /nfs/dbraw/zinc/10/66/47/160106647.db2.gz KKRYYVQNUWLJKP-MCIONIFRSA-N 0 0 319.471 0.493 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408431751 160106908 /nfs/dbraw/zinc/10/69/08/160106908.db2.gz BKHBRWBKLVCKQO-UONOGXRCSA-N 0 0 319.471 0.494 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C[C@@H]1O ZINC000408446375 160110373 /nfs/dbraw/zinc/11/03/73/160110373.db2.gz KLBGHRRLBMNCSH-MCIONIFRSA-N 0 0 321.425 0.801 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](CO)C1 ZINC000408447577 160110395 /nfs/dbraw/zinc/11/03/95/160110395.db2.gz YMVOZZBZXOXXGP-RYUDHWBXSA-N 0 0 323.397 0.639 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408449625 160110465 /nfs/dbraw/zinc/11/04/65/160110465.db2.gz DHUNFOBTDFMUMG-BBRMVZONSA-N 0 0 309.410 0.496 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)c1 ZINC000408447685 160110504 /nfs/dbraw/zinc/11/05/04/160110504.db2.gz GQSLZNVIPLKRHP-UHFFFAOYSA-N 0 0 300.384 0.144 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCCO1 ZINC000408455273 160111636 /nfs/dbraw/zinc/11/16/36/160111636.db2.gz XABJCWOLFMTBHI-UHFFFAOYSA-N 0 0 314.429 0.015 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000408470936 160115893 /nfs/dbraw/zinc/11/58/93/160115893.db2.gz RSJVCAYULKJHEE-TUAOUCFPSA-N 0 0 316.423 0.296 10 0 DCAERN CC(=O)NCCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000047666560 286887916 /nfs/dbraw/zinc/88/79/16/286887916.db2.gz TWAOQPDEUXQFAQ-LLVKDONJSA-N 0 0 306.366 0.839 10 0 DCAERN CCNC(=O)C(C)(C)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000120470446 286952085 /nfs/dbraw/zinc/95/20/85/286952085.db2.gz IIACTJYRZYEHHN-LLVKDONJSA-N 0 0 305.444 0.715 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCC(C)(C)C2)n(C)n1 ZINC000127564001 286978406 /nfs/dbraw/zinc/97/84/06/286978406.db2.gz NCIVMFVHXBFAPU-UHFFFAOYSA-N 0 0 308.382 0.806 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H]2C)n(C)n1 ZINC000127798917 286979276 /nfs/dbraw/zinc/97/92/76/286979276.db2.gz XQGSUQYXNKBZHF-QWRGUYRKSA-N 0 0 308.382 0.804 10 0 DCAERN CCCc1ncc(C(=O)NC[C@@H](O)CN2CCOCC2)s1 ZINC000128166307 286981518 /nfs/dbraw/zinc/98/15/18/286981518.db2.gz LBRYUEIVUPTASA-LLVKDONJSA-N 0 0 313.423 0.519 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000130151048 286992258 /nfs/dbraw/zinc/99/22/58/286992258.db2.gz NMMNMDVFXOOLSY-LBPRGKRZSA-N 0 0 313.423 0.800 10 0 DCAERN CCC[C@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932930 287002923 /nfs/dbraw/zinc/00/29/23/287002923.db2.gz MNPMYVTZODKGTJ-JSGCOSHPSA-N 0 0 311.426 0.613 10 0 DCAERN CC(C)OC[C@H](O)CN(Cc1ccccn1)S(C)(=O)=O ZINC000133565407 287011650 /nfs/dbraw/zinc/01/16/50/287011650.db2.gz GXEVHHHNHLPJCZ-CYBMUJFWSA-N 0 0 302.396 0.629 10 0 DCAERN C[C@@]1(CO)CCC[C@@H]1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000135738415 287024291 /nfs/dbraw/zinc/02/42/91/287024291.db2.gz WTHYRYCTCCOLDY-JSGCOSHPSA-N 0 0 318.439 0.325 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000152185029 287039481 /nfs/dbraw/zinc/03/94/81/287039481.db2.gz GMXWYWCNGRIXSH-LLVKDONJSA-N 0 0 316.292 0.546 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCc1cccc(OC)n1 ZINC000152231438 287039751 /nfs/dbraw/zinc/03/97/51/287039751.db2.gz FPPZDTMGSUWPKW-UHFFFAOYSA-N 0 0 317.349 0.952 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1c[nH]nc1-c1ccccc1F ZINC000153230861 287048502 /nfs/dbraw/zinc/04/85/02/287048502.db2.gz SFVHDDUVNMRCIQ-NSHDSACASA-N 0 0 316.292 0.751 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H]1Cn1ccnc1)N1CCCC1 ZINC000177377897 287054845 /nfs/dbraw/zinc/05/48/45/287054845.db2.gz HQJXQDFKBGCRPN-ZDUSSCGKSA-N 0 0 305.382 0.680 10 0 DCAERN CN(C)c1nnc(SC[C@H](O)CN2CCOCC2)s1 ZINC000181150476 287056267 /nfs/dbraw/zinc/05/62/67/287056267.db2.gz LDMHARQJNALGAS-SECBINFHSA-N 0 0 304.441 0.389 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000245492849 287069836 /nfs/dbraw/zinc/06/98/36/287069836.db2.gz KHLUKTJIEWFLRY-SDDRHHMPSA-N 0 0 308.444 0.991 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246047214 287075737 /nfs/dbraw/zinc/07/57/37/287075737.db2.gz BXCYLWYYWZITDF-SCVCMEIPSA-N 0 0 316.427 0.733 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246073976 287076268 /nfs/dbraw/zinc/07/62/68/287076268.db2.gz FEDAOTLCVREPKO-BDAKNGLRSA-N 0 0 303.384 0.735 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)no1 ZINC000246110590 287077044 /nfs/dbraw/zinc/07/70/44/287077044.db2.gz NLADTSGNYZRGKW-IUCAKERBSA-N 0 0 304.372 0.164 10 0 DCAERN CC(C)[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCCS1(=O)=O ZINC000246209579 287079337 /nfs/dbraw/zinc/07/93/37/287079337.db2.gz AKTHGTITGPNUFR-UPJWGTAASA-N 0 0 318.439 0.682 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)[C@@H](C)CO1 ZINC000246323757 287081064 /nfs/dbraw/zinc/08/10/64/287081064.db2.gz YZQNHAWMBMSGRV-NWDGAFQWSA-N 0 0 306.428 0.625 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)C[C@H](C)O1 ZINC000246318913 287081148 /nfs/dbraw/zinc/08/11/48/287081148.db2.gz YGTLNVJEKNKGJW-MBNYWOFBSA-N 0 0 320.455 0.871 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000246131758 287077330 /nfs/dbraw/zinc/07/73/30/287077330.db2.gz FGYHOLUZPBYUDR-JHJVBQTASA-N 0 0 306.428 0.699 10 0 DCAERN Cc1cc(CN(C)S(=O)(=O)N2C[C@H](C)OC[C@H]2C)no1 ZINC000246182962 287078633 /nfs/dbraw/zinc/07/86/33/287078633.db2.gz NLNWKIFZKQDFBA-KOLCDFICSA-N 0 0 303.384 0.769 10 0 DCAERN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[C@](C)(O)C1 ZINC000248331790 287096306 /nfs/dbraw/zinc/09/63/06/287096306.db2.gz FBJAETULQWYUCT-ZBEGNZNMSA-N 0 0 303.362 0.817 10 0 DCAERN CC[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248374759 287096522 /nfs/dbraw/zinc/09/65/22/287096522.db2.gz TWTVECAKXZWMAL-IHRRRGAJSA-N 0 0 319.471 0.757 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248449828 287097443 /nfs/dbraw/zinc/09/74/43/287097443.db2.gz FGOSYDSRFXKSKO-OOFYPUDQSA-N 0 0 316.467 0.855 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248503602 287098106 /nfs/dbraw/zinc/09/81/06/287098106.db2.gz VBJHYIPHOGRKPY-RRRJYUKSSA-N 0 0 312.457 0.039 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCCCC1=O ZINC000248673111 287099895 /nfs/dbraw/zinc/09/98/95/287099895.db2.gz VPIDAGFGMPQCCX-STQMWFEESA-N 0 0 317.455 0.954 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000248763930 287101187 /nfs/dbraw/zinc/10/11/87/287101187.db2.gz KGWXTKJSUYJUSY-ZIAGYGMSSA-N 0 0 312.410 0.756 10 0 DCAERN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)[C@@H](C)C1 ZINC000249551542 287113594 /nfs/dbraw/zinc/11/35/94/287113594.db2.gz ICOBVFDDTSTOEG-UONOGXRCSA-N 0 0 323.412 0.829 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000249426941 287110440 /nfs/dbraw/zinc/11/04/40/287110440.db2.gz HUZRAKOFRINEHP-AVGNSLFASA-N 0 0 320.393 0.847 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439449 287110911 /nfs/dbraw/zinc/11/09/11/287110911.db2.gz SSLAUYGTPCSNPG-WOPDTQHZSA-N 0 0 324.343 0.869 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)[C@@H](C)CO1 ZINC000249483509 287111781 /nfs/dbraw/zinc/11/17/81/287111781.db2.gz WGUIHBXMTLOYTH-WDEREUQCSA-N 0 0 306.428 0.576 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)C[C@@H]1C ZINC000251858315 287119850 /nfs/dbraw/zinc/11/98/50/287119850.db2.gz RPZAIFWGTUBRGH-SOUVJXGZSA-N 0 0 313.442 0.900 10 0 DCAERN CO[C@@H]1CN(CC(=O)NCC(=O)OC(C)(C)C)CC[C@@H]1C ZINC000252008702 287120419 /nfs/dbraw/zinc/12/04/19/287120419.db2.gz XIJSCJYVHHEHDU-NWDGAFQWSA-N 0 0 300.399 0.801 10 0 DCAERN C[C@H](CO)N(CC1CCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000407976080 298802133 /nfs/dbraw/zinc/80/21/33/298802133.db2.gz SFBFASTTYCNBGI-LLVKDONJSA-N 0 0 304.412 0.320 10 0 DCAERN CN(C)C(=O)Cn1ccc(NC(=O)N(C)Cc2cnccn2)n1 ZINC000605197310 412274580 /nfs/dbraw/zinc/27/45/80/412274580.db2.gz GOIDEWXDTCTCTN-UHFFFAOYSA-N 0 0 317.353 0.425 10 0 DCAERN CNc1ncnc2cc(C(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000612626714 412340433 /nfs/dbraw/zinc/34/04/33/412340433.db2.gz HHRACCRTNJGIMG-NSHDSACASA-N 0 0 302.334 0.505 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)CC(=O)N1 ZINC000408343788 287292636 /nfs/dbraw/zinc/29/26/36/287292636.db2.gz SDVRMPOUMHHBQU-WISYIIOYSA-N 0 0 300.424 0.659 10 0 DCAERN O=C(NCCNC(=O)N1CCC(CO)CC1)c1ccccc1 ZINC000045559613 415247298 /nfs/dbraw/zinc/24/72/98/415247298.db2.gz XEKDQSAREAJFIN-UHFFFAOYSA-N 0 0 305.378 0.830 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)NCCNS(C)(=O)=O ZINC000045652949 415251074 /nfs/dbraw/zinc/25/10/74/415251074.db2.gz OUWFHZIQYXFAIY-UHFFFAOYSA-N 0 0 303.359 0.516 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCCCN1CCCC1=O ZINC000047595525 415273267 /nfs/dbraw/zinc/27/32/67/415273267.db2.gz ODZVLQFXJOTFRB-UHFFFAOYSA-N 0 0 319.409 0.959 10 0 DCAERN CCN(Cc1cccc(F)c1)C(=O)CN1CCNC(=O)CC1 ZINC000073350318 415418163 /nfs/dbraw/zinc/41/81/63/415418163.db2.gz TWARMLHPBMZDOI-UHFFFAOYSA-N 0 0 307.369 0.996 10 0 DCAERN CCOc1cccc(CN2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000275866661 415385332 /nfs/dbraw/zinc/38/53/32/415385332.db2.gz XVVAHVPTZGUTMX-MRXNPFEDSA-N 0 0 321.421 0.703 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@H](OC)C[C@H]1COC ZINC000343181043 415490342 /nfs/dbraw/zinc/49/03/42/415490342.db2.gz LSLFUCMDWZRTTD-WDEREUQCSA-N 0 0 303.384 0.327 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1=O ZINC000332752900 415461088 /nfs/dbraw/zinc/46/10/88/415461088.db2.gz HEYQAUDDBNOEHF-MELADBBJSA-N 0 0 324.425 0.110 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332753506 415463155 /nfs/dbraw/zinc/46/31/55/415463155.db2.gz IHCOHZTZRFEOHH-ZOBORPQBSA-N 0 0 324.425 0.016 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@H]21 ZINC000332751562 415463318 /nfs/dbraw/zinc/46/33/18/415463318.db2.gz CVDXHHJPXWNNJD-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN Cc1ncc(CN2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000078436765 415465844 /nfs/dbraw/zinc/46/58/44/415465844.db2.gz JMOAGCNBUZDGDZ-UHFFFAOYSA-N 0 0 324.450 0.428 10 0 DCAERN CCN(C(=O)COc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000085261496 415504017 /nfs/dbraw/zinc/50/40/17/415504017.db2.gz PLWZTKDIZVPMED-LBPRGKRZSA-N 0 0 312.391 0.804 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(-c2ccncc2)on1 ZINC000091778981 415539322 /nfs/dbraw/zinc/53/93/22/415539322.db2.gz UEBPHLYJNOVQEY-LLVKDONJSA-N 0 0 302.290 0.063 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000333155446 415573566 /nfs/dbraw/zinc/57/35/66/415573566.db2.gz MJMLSQZYQNZMIP-CBAPKCEASA-N 0 0 303.302 0.350 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cc12 ZINC000284761309 415603930 /nfs/dbraw/zinc/60/39/30/415603930.db2.gz SCBGWLRAOOQJFH-UONOGXRCSA-N 0 0 315.377 0.811 10 0 DCAERN COCCCNC(=O)C1CCN(C(=O)[C@H](C)COC)CC1 ZINC000103431593 415617745 /nfs/dbraw/zinc/61/77/45/415617745.db2.gz IFJRSQXHNRWRJP-GFCCVEGCSA-N 0 0 300.399 0.660 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC000333350544 415618313 /nfs/dbraw/zinc/61/83/13/415618313.db2.gz VRWCOZZACVWMIS-NSHDSACASA-N 0 0 311.407 0.787 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000286506501 415630958 /nfs/dbraw/zinc/63/09/58/415630958.db2.gz WYOCAEYRJITVIM-DYEKYZERSA-N 0 0 301.346 0.615 10 0 DCAERN CCCCOC(=O)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000106827867 415647452 /nfs/dbraw/zinc/64/74/52/415647452.db2.gz SSRWVUBHLZGWAK-UHFFFAOYSA-N 0 0 305.334 0.789 10 0 DCAERN O=S(=O)(NC[C@H]1CCCS1(=O)=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333187187 415579636 /nfs/dbraw/zinc/57/96/36/415579636.db2.gz RBPQSIBZDBJQFE-WRWGMCAJSA-N 0 0 307.437 0.672 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333187579 415580491 /nfs/dbraw/zinc/58/04/91/415580491.db2.gz RFYZFYDKRKNOEZ-NOOOWODRSA-N 0 0 322.452 0.128 10 0 DCAERN O=C([O-])C[N@@H+]1CCC2(CCN(c3ncccn3)CC2)[C@H](CO)C1 ZINC000097402289 415589585 /nfs/dbraw/zinc/58/95/85/415589585.db2.gz WOCQATHBYQICGW-ZDUSSCGKSA-N 0 0 320.393 0.462 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470237 415660218 /nfs/dbraw/zinc/66/02/18/415660218.db2.gz NLAPPWYTPITIOQ-KBPBESRZSA-N 0 0 318.439 0.148 10 0 DCAERN Cc1noc(C)c1CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000107331059 415663006 /nfs/dbraw/zinc/66/30/06/415663006.db2.gz KKDSGHNGPGKFIA-LLVKDONJSA-N 0 0 310.398 0.854 10 0 DCAERN O=C(C1CC1)N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000333483990 415663437 /nfs/dbraw/zinc/66/34/37/415663437.db2.gz FXYJJXURTFFOJG-UHFFFAOYSA-N 0 0 320.393 0.363 10 0 DCAERN O=C(CN1CCN(C(=O)C2CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333564768 415684315 /nfs/dbraw/zinc/68/43/15/415684315.db2.gz RBTNKUSXYIWSHD-HUUCEWRRSA-N 0 0 321.421 0.668 10 0 DCAERN CCOC(=O)c1csc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000425240739 287314986 /nfs/dbraw/zinc/31/49/86/287314986.db2.gz ZEGUOWLVCILMLB-MRVPVSSYSA-N 0 0 319.408 0.448 10 0 DCAERN CN(CC(=O)N1CCCC[C@H]1c1cn[nH]c1)S(C)(=O)=O ZINC000113894834 415718898 /nfs/dbraw/zinc/71/88/98/415718898.db2.gz KVGVOACJXIUPMU-NSHDSACASA-N 0 0 300.384 0.355 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1COC[C@@H]1OC ZINC000333714755 415722638 /nfs/dbraw/zinc/72/26/38/415722638.db2.gz HAYCZWOLGYSRNG-WYUUTHIRSA-N 0 0 316.423 0.464 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@H]3CCCNC3=O)O2)n1 ZINC000333722560 415725442 /nfs/dbraw/zinc/72/54/42/415725442.db2.gz ODFLZKFVBAMRLU-VWYCJHECSA-N 0 0 323.353 0.176 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116277377 415727249 /nfs/dbraw/zinc/72/72/49/415727249.db2.gz XDWBBYBVXMCOJG-DZGCQCFKSA-N 0 0 322.453 0.282 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750734 415707411 /nfs/dbraw/zinc/70/74/11/415707411.db2.gz ABWGSZKCUFYYLX-CHWSQXEVSA-N 0 0 307.325 0.485 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCc2ncnn2C1 ZINC000112661754 415711333 /nfs/dbraw/zinc/71/13/33/415711333.db2.gz ZWYQINXKGINMSH-NSHDSACASA-N 0 0 300.318 0.681 10 0 DCAERN CN(CC(=O)N1CCO[C@H](c2ccsc2)C1)S(C)(=O)=O ZINC000120289563 415763863 /nfs/dbraw/zinc/76/38/63/415763863.db2.gz PQAVQJOIJOXVPX-NSHDSACASA-N 0 0 318.420 0.539 10 0 DCAERN C[C@@]1(O)C[C@H](NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000333923846 415766493 /nfs/dbraw/zinc/76/64/93/415766493.db2.gz SQDQWXGWITVWKZ-IOASZLSFSA-N 0 0 324.425 0.879 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000120135016 415756060 /nfs/dbraw/zinc/75/60/60/415756060.db2.gz MYHXSAICPUJZEF-STQMWFEESA-N 0 0 308.378 0.799 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2F)CCS1(=O)=O ZINC000122375381 415833969 /nfs/dbraw/zinc/83/39/69/415833969.db2.gz OKMAUOGXRKACPP-SECBINFHSA-N 0 0 314.338 0.410 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](COC)C1CC1 ZINC000122749431 415836010 /nfs/dbraw/zinc/83/60/10/415836010.db2.gz CZWSZOZMTFOHHB-NWDGAFQWSA-N 0 0 323.397 0.984 10 0 DCAERN C[C@@H](CNC(=O)c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC000122936203 415836149 /nfs/dbraw/zinc/83/61/49/415836149.db2.gz CWZBNRZMZCBWFF-VIFPVBQESA-N 0 0 318.299 0.946 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](COC)C1CC1 ZINC000122749610 415836606 /nfs/dbraw/zinc/83/66/06/415836606.db2.gz CZWSZOZMTFOHHB-VXGBXAGGSA-N 0 0 323.397 0.984 10 0 DCAERN CN1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000123302106 415842878 /nfs/dbraw/zinc/84/28/78/415842878.db2.gz GWMYZTXVMSTDKQ-NSHDSACASA-N 0 0 303.428 0.299 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000120835944 415787222 /nfs/dbraw/zinc/78/72/22/415787222.db2.gz YCQQGMHNGSSGRB-IUCAKERBSA-N 0 0 303.409 0.734 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747230 415816617 /nfs/dbraw/zinc/81/66/17/415816617.db2.gz MZNUGMXKIZEHAY-LLVKDONJSA-N 0 0 315.320 0.786 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000122195748 415826180 /nfs/dbraw/zinc/82/61/80/415826180.db2.gz KTKUELHAUCZQJB-UHFFFAOYSA-N 0 0 322.394 0.475 10 0 DCAERN COCCCS(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122189287 415826293 /nfs/dbraw/zinc/82/62/93/415826293.db2.gz ZHRJICFHLAFUQU-UHFFFAOYSA-N 0 0 314.411 0.719 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000125503194 415868979 /nfs/dbraw/zinc/86/89/79/415868979.db2.gz SPJOIRKWTRRVBA-UHFFFAOYSA-N 0 0 311.305 0.556 10 0 DCAERN CCN(CCO)C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126102005 415870465 /nfs/dbraw/zinc/87/04/65/415870465.db2.gz CFPDRRIYLQVLGN-GFCCVEGCSA-N 0 0 318.377 0.809 10 0 DCAERN O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000126354279 415873515 /nfs/dbraw/zinc/87/35/15/415873515.db2.gz IFLBYFRZRZXWRY-QWHCGFSZSA-N 0 0 316.423 0.486 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC[C@H](O)CC2)[C@@H]1c1cccnc1 ZINC000294956331 415876453 /nfs/dbraw/zinc/87/64/53/415876453.db2.gz SGLSLERIUQIFTQ-DZKIICNBSA-N 0 0 317.389 0.974 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCCN1CCCC1=O ZINC000129177446 415907791 /nfs/dbraw/zinc/90/77/91/415907791.db2.gz LPJUDFZVQWISPJ-NWDGAFQWSA-N 0 0 312.414 0.601 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000130949642 415923282 /nfs/dbraw/zinc/92/32/82/415923282.db2.gz BKWFGBMUAUTAPZ-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000130791191 415924566 /nfs/dbraw/zinc/92/45/66/415924566.db2.gz ZOBPCLJFZSYUSM-UHFFFAOYSA-N 0 0 319.405 0.953 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000124802918 415852310 /nfs/dbraw/zinc/85/23/10/415852310.db2.gz JLZHFOTVFBDVAV-IACUBPJLSA-N 0 0 309.387 0.933 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCCc1nc(C)no1 ZINC000125134557 415860174 /nfs/dbraw/zinc/86/01/74/415860174.db2.gz ZJBZDQPNYBMMFF-LLVKDONJSA-N 0 0 311.386 0.915 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337303250 415942510 /nfs/dbraw/zinc/94/25/10/415942510.db2.gz QJZNCNUYMKZYEC-MJBXVCDLSA-N 0 0 310.394 0.387 10 0 DCAERN Cc1noc(CN2CCN([C@@H](C)C(=O)N3CCCCC3)CC2)n1 ZINC000151067300 415964819 /nfs/dbraw/zinc/96/48/19/415964819.db2.gz DXLOLCVBHKWSOP-ZDUSSCGKSA-N 0 0 321.425 0.897 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cccs2)CCS1(=O)=O ZINC000152949079 415973642 /nfs/dbraw/zinc/97/36/42/415973642.db2.gz JCTXKLXRRRFCKT-UHFFFAOYSA-N 0 0 309.434 0.946 10 0 DCAERN COc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@H](C)F ZINC000356712189 415977367 /nfs/dbraw/zinc/97/73/67/415977367.db2.gz PZMTXBDIRBRXHZ-QMMMGPOBSA-N 0 0 304.343 0.821 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000153397033 415980332 /nfs/dbraw/zinc/98/03/32/415980332.db2.gz HKPIENQIHSQCGI-MRVPVSSYSA-N 0 0 319.814 0.895 10 0 DCAERN C[C@@H](C(=O)N1CCO[C@H](c2cnn(C)c2)C1)N1CCSCC1 ZINC000153446743 415981353 /nfs/dbraw/zinc/98/13/53/415981353.db2.gz YUMTVCKDKBZCNI-JSGCOSHPSA-N 0 0 324.450 0.757 10 0 DCAERN CCc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)[nH]c(C)c1C(C)=O ZINC000153438729 415981459 /nfs/dbraw/zinc/98/14/59/415981459.db2.gz WZPKRCPVTOECBE-SNVBAGLBSA-N 0 0 305.334 0.623 10 0 DCAERN Cn1ccc(N2CCC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n1 ZINC000153524346 415981945 /nfs/dbraw/zinc/98/19/45/415981945.db2.gz XAKMKFDQNOGTKH-IAQYHMDHSA-N 0 0 306.366 0.601 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153556657 415982246 /nfs/dbraw/zinc/98/22/46/415982246.db2.gz WCYKQCGHTPCOBN-CABCVRRESA-N 0 0 324.446 0.853 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)Cn1ccnc1 ZINC000153577902 415984858 /nfs/dbraw/zinc/98/48/58/415984858.db2.gz QKYMVOWLUYSRFK-NWDGAFQWSA-N 0 0 310.423 0.947 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000153864528 415987498 /nfs/dbraw/zinc/98/74/98/415987498.db2.gz WFGUFIRKDSDOPG-AWEZNQCLSA-N 0 0 307.394 0.961 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)Nc2cnc(N(C)C)nc2)C1=O ZINC000155116412 415993390 /nfs/dbraw/zinc/99/33/90/415993390.db2.gz JCMAJOWVUJGBDF-NSHDSACASA-N 0 0 306.370 0.673 10 0 DCAERN Cc1noc(CCC(=O)N2c3ccccc3C[C@H]2C(N)=O)n1 ZINC000155236030 415994953 /nfs/dbraw/zinc/99/49/53/415994953.db2.gz RICMLIJVZOPORA-LBPRGKRZSA-N 0 0 300.318 0.754 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000132449145 415931963 /nfs/dbraw/zinc/93/19/63/415931963.db2.gz LCIBZUNLZWAYLN-BXUZGUMPSA-N 0 0 300.424 0.618 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000132423502 415933793 /nfs/dbraw/zinc/93/37/93/415933793.db2.gz GXYGVYIFFJNGEL-ZDUSSCGKSA-N 0 0 320.418 0.652 10 0 DCAERN COCCn1cc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000172332906 416044794 /nfs/dbraw/zinc/04/47/94/416044794.db2.gz QFXFKSDQUSUHHC-QWRGUYRKSA-N 0 0 309.370 0.695 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H]2COCCO2)C[C@@H]1CC ZINC000172300115 416045537 /nfs/dbraw/zinc/04/55/37/416045537.db2.gz ZSGYVYJFKFMRKU-KBPBESRZSA-N 0 0 300.399 0.361 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)NS(C)(=O)=O)c2ccccc21 ZINC000172806461 416048064 /nfs/dbraw/zinc/04/80/64/416048064.db2.gz RDAGOHROWOQAQH-NSHDSACASA-N 0 0 311.407 0.797 10 0 DCAERN CCn1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cn1 ZINC000173145704 416053487 /nfs/dbraw/zinc/05/34/87/416053487.db2.gz LMVWUKGQVHBTAD-UHFFFAOYSA-N 0 0 312.439 0.903 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(COC)on1)CC2 ZINC000173480003 416058545 /nfs/dbraw/zinc/05/85/45/416058545.db2.gz CTNNDPYSCCNUKO-VIFPVBQESA-N 0 0 305.338 0.720 10 0 DCAERN COC(=O)C1CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173496885 416059945 /nfs/dbraw/zinc/05/99/45/416059945.db2.gz CCXNREWBGQDDMN-ZDUSSCGKSA-N 0 0 320.393 0.719 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173601731 416062628 /nfs/dbraw/zinc/06/26/28/416062628.db2.gz FOWPFEOHOKEXBH-GFCCVEGCSA-N 0 0 323.397 0.710 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000173893333 416067836 /nfs/dbraw/zinc/06/78/36/416067836.db2.gz HXQKHKOATCZUMG-KGLIPLIRSA-N 0 0 324.425 0.112 10 0 DCAERN CCn1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1=O ZINC000173873812 416068162 /nfs/dbraw/zinc/06/81/62/416068162.db2.gz WGJYHMDISKDGJT-CQSZACIVSA-N 0 0 320.393 0.807 10 0 DCAERN COC[C@H](O)CN(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000301078023 416074858 /nfs/dbraw/zinc/07/48/58/416074858.db2.gz JFVLDLOLTBPGDR-SSDOTTSWSA-N 0 0 305.260 0.587 10 0 DCAERN CCO[C@H](C)c1nc(CN(C)C(=O)Cn2cnnn2)cs1 ZINC000174448885 416078462 /nfs/dbraw/zinc/07/84/62/416078462.db2.gz JKEYMDLAZRLGLY-SECBINFHSA-N 0 0 310.383 0.886 10 0 DCAERN Cc1ccc2[nH]cc(CCC(=O)N(CC(N)=O)CC(N)=O)c2c1 ZINC000174531327 416078718 /nfs/dbraw/zinc/07/87/18/416078718.db2.gz WPXRHSXTMBRQTI-UHFFFAOYSA-N 0 0 316.361 0.208 10 0 DCAERN C[C@H](CNC(=O)CCc1nc(N(C)C)no1)N1CCCCC1=O ZINC000356993184 416018003 /nfs/dbraw/zinc/01/80/03/416018003.db2.gz ZHNOPESBVDMFKK-LLVKDONJSA-N 0 0 323.397 0.585 10 0 DCAERN NC(=O)NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 ZINC000165934001 416021298 /nfs/dbraw/zinc/02/12/98/416021298.db2.gz KSUKCHPMUKVHSH-UHFFFAOYSA-N 0 0 310.785 0.653 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@]1(CO)CC(C)C ZINC000357018572 416021911 /nfs/dbraw/zinc/02/19/11/416021911.db2.gz YBRPYEQIERNQKY-FMKPAKJESA-N 0 0 312.410 0.368 10 0 DCAERN COC(C)(C)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000171589106 416040727 /nfs/dbraw/zinc/04/07/27/416040727.db2.gz KFEXVZROLPHLBG-AWEZNQCLSA-N 0 0 319.405 0.782 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000174812969 416088288 /nfs/dbraw/zinc/08/82/88/416088288.db2.gz WKKIBEUYSMNWOE-LLVKDONJSA-N 0 0 307.325 0.526 10 0 DCAERN NS(=O)(=O)CCN1CCN(Cc2nc3ccccc3o2)CC1 ZINC000174937821 416089911 /nfs/dbraw/zinc/08/99/11/416089911.db2.gz KDCDEUJCOCFODZ-UHFFFAOYSA-N 0 0 324.406 0.234 10 0 DCAERN COC[C@@H](O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000338423570 416095325 /nfs/dbraw/zinc/09/53/25/416095325.db2.gz MDYBMFYCKIBCHG-MJVIPROJSA-N 0 0 319.423 0.309 10 0 DCAERN O=S1(=O)N=C(N2CCO[C@@]3(CCOC3)C2)c2ccccc21 ZINC000302232935 416098216 /nfs/dbraw/zinc/09/82/16/416098216.db2.gz YUNYNIVPMBSQSJ-AWEZNQCLSA-N 0 0 308.359 0.627 10 0 DCAERN CC(C)(NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000175207737 416100009 /nfs/dbraw/zinc/10/00/09/416100009.db2.gz PVICRLFSHUGMJK-CQSZACIVSA-N 0 0 319.405 0.658 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000175323498 416102574 /nfs/dbraw/zinc/10/25/74/416102574.db2.gz UNEWLQPVIPQUFF-ZDUSSCGKSA-N 0 0 321.425 0.876 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000357608110 416105453 /nfs/dbraw/zinc/10/54/53/416105453.db2.gz PSNWFBGDPUJDTO-SNPRPXQTSA-N 0 0 318.373 0.998 10 0 DCAERN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000357628206 416107994 /nfs/dbraw/zinc/10/79/94/416107994.db2.gz BWWFUVZSABNPLR-LLVKDONJSA-N 0 0 319.361 0.906 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C1 ZINC000345519822 416108921 /nfs/dbraw/zinc/10/89/21/416108921.db2.gz KSWJOMPMEMVSFV-OUCADQQQSA-N 0 0 322.361 0.236 10 0 DCAERN COC[C@@H](NC(=O)N[C@H]1CCc2ncnn2C1)c1ccco1 ZINC000175543150 416109267 /nfs/dbraw/zinc/10/92/67/416109267.db2.gz SIVOCVZCIVUKIF-WDEREUQCSA-N 0 0 305.338 0.873 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1noc(C)n1 ZINC000175693607 416112339 /nfs/dbraw/zinc/11/23/39/416112339.db2.gz NWGGZKWGJWCCQO-LLVKDONJSA-N 0 0 309.370 0.920 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC000357661673 416113103 /nfs/dbraw/zinc/11/31/03/416113103.db2.gz VPTQVKWQIWVXTF-YPMHNXCESA-N 0 0 310.398 0.258 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000357661652 416113264 /nfs/dbraw/zinc/11/32/64/416113264.db2.gz VPTQVKWQIWVXTF-AAEUAGOBSA-N 0 0 310.398 0.258 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCC(=O)N1CCCCC1 ZINC000175938281 416115949 /nfs/dbraw/zinc/11/59/49/416115949.db2.gz KWVFCAWXRKBLQK-UHFFFAOYSA-N 0 0 306.366 0.256 10 0 DCAERN Cc1cc[nH]c(=O)c1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328616253 416123312 /nfs/dbraw/zinc/12/33/12/416123312.db2.gz BMUYWGSICOJVKM-NSHDSACASA-N 0 0 301.350 0.948 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)n1 ZINC000178106991 416156541 /nfs/dbraw/zinc/15/65/41/416156541.db2.gz CRUMTENAVDYUGC-NWDGAFQWSA-N 0 0 306.366 0.713 10 0 DCAERN Cc1ccoc1C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000328632195 416126165 /nfs/dbraw/zinc/12/61/65/416126165.db2.gz RSOKRNOPLCAIKX-LBPRGKRZSA-N 0 0 323.374 0.933 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cc1c(OC)cccc1OC ZINC000176493793 416128392 /nfs/dbraw/zinc/12/83/92/416128392.db2.gz RIBDAWJHCFFLOE-GFCCVEGCSA-N 0 0 306.362 0.983 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)NC(C)(C)C ZINC000176575923 416130249 /nfs/dbraw/zinc/13/02/49/416130249.db2.gz PBAHAXZPXBORCT-YBYGRFCBSA-N 0 0 301.416 0.806 10 0 DCAERN NC(=O)c1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)o1 ZINC000176752273 416132582 /nfs/dbraw/zinc/13/25/82/416132582.db2.gz HQEXGBKZWYMYCT-UHFFFAOYSA-N 0 0 314.301 0.338 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176888623 416136828 /nfs/dbraw/zinc/13/68/28/416136828.db2.gz JIADHDWHJNYITL-VXNVDRBHSA-N 0 0 303.302 0.193 10 0 DCAERN Cc1c(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cnn1C ZINC000177218516 416141718 /nfs/dbraw/zinc/14/17/18/416141718.db2.gz XLEGUZMFRBLSQC-UHFFFAOYSA-N 0 0 313.317 0.370 10 0 DCAERN CC(C)S(=O)(=O)CCN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177232988 416141990 /nfs/dbraw/zinc/14/19/90/416141990.db2.gz BIMCOUUEJVOJTA-KBPBESRZSA-N 0 0 304.456 0.462 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCC(C)(C)CCCO ZINC000357880523 416146019 /nfs/dbraw/zinc/14/60/19/416146019.db2.gz POUKMICFTSBEPB-RYUDHWBXSA-N 0 0 300.399 0.131 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN1C(=O)CCC1=O ZINC000177492329 416147160 /nfs/dbraw/zinc/14/71/60/416147160.db2.gz MTNFYEFTEPACSL-CYBMUJFWSA-N 0 0 324.425 0.651 10 0 DCAERN CN1CCC[C@H](NC(=O)NCc2ccc3cc[nH]c3n2)C1=O ZINC000357882717 416147471 /nfs/dbraw/zinc/14/74/71/416147471.db2.gz FCBAISAIQUVCQW-LBPRGKRZSA-N 0 0 301.350 0.983 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)on1 ZINC000329105087 416150361 /nfs/dbraw/zinc/15/03/61/416150361.db2.gz OHIFESPEYNNMPA-NSHDSACASA-N 0 0 312.333 1.352 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000177710695 416150797 /nfs/dbraw/zinc/15/07/97/416150797.db2.gz QVOVNLKEJPMLLT-NOLJZWGESA-N 0 0 317.389 0.955 10 0 DCAERN C[C@H](CCO)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177849045 416152267 /nfs/dbraw/zinc/15/22/67/416152267.db2.gz RWNJDROQDSJFGA-SECBINFHSA-N 0 0 304.306 0.562 10 0 DCAERN CC(=O)N1CCN(C(=O)CS(=O)(=O)C2CCCC2)[C@H](C)C1 ZINC000357920761 416152829 /nfs/dbraw/zinc/15/28/29/416152829.db2.gz DKYTWCRLHHPEEA-LLVKDONJSA-N 0 0 316.423 0.423 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)CC2CCCC2)[C@H](C)C1 ZINC000357924071 416154634 /nfs/dbraw/zinc/15/46/34/416154634.db2.gz GURFNKSZZCLSHW-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CCC(=O)NC1=O ZINC000178562636 416166704 /nfs/dbraw/zinc/16/67/04/416166704.db2.gz QZZOQFPADAPPTG-CYBMUJFWSA-N 0 0 312.329 0.336 10 0 DCAERN O=C(NCc1ccccc1N1CCOCC1)[C@H]1COCCN1 ZINC000178706354 416169690 /nfs/dbraw/zinc/16/96/90/416169690.db2.gz PMUBUTBKEITWET-CQSZACIVSA-N 0 0 305.378 0.128 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(C)C ZINC000178692393 416169728 /nfs/dbraw/zinc/16/97/28/416169728.db2.gz PYORABJTODMKIH-AWEZNQCLSA-N 0 0 316.365 0.092 10 0 DCAERN COC(=O)c1cn([C@H]2CCCN([C@@H](C(=O)OC)C3CC3)C2)nn1 ZINC000358033298 416172370 /nfs/dbraw/zinc/17/23/70/416172370.db2.gz DJFBIMSOWPVLMJ-WCQYABFASA-N 0 0 322.365 0.653 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000358026185 416173081 /nfs/dbraw/zinc/17/30/81/416173081.db2.gz UBLIQKAVUFIBGN-UHFFFAOYSA-N 0 0 304.354 0.749 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000182840164 416233283 /nfs/dbraw/zinc/23/32/83/416233283.db2.gz UAEUIODGTVOHQV-INIZCTEOSA-N 0 0 319.361 0.300 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)cc1 ZINC000178997223 416179007 /nfs/dbraw/zinc/17/90/07/416179007.db2.gz BBOXXBRBBFGDNG-AWEZNQCLSA-N 0 0 302.378 0.050 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000179047537 416181762 /nfs/dbraw/zinc/18/17/62/416181762.db2.gz GJQOJLOCARLUOM-VXGBXAGGSA-N 0 0 301.302 0.696 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)C(C)C ZINC000179127348 416183052 /nfs/dbraw/zinc/18/30/52/416183052.db2.gz OPVSFRAYYWZNQF-OAHLLOKOSA-N 0 0 319.405 0.920 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1nc(C)c(C)[nH]c1=O ZINC000179165384 416183493 /nfs/dbraw/zinc/18/34/93/416183493.db2.gz HRTSOZFEEIQHLL-GFCCVEGCSA-N 0 0 320.393 0.860 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179297072 416184315 /nfs/dbraw/zinc/18/43/15/416184315.db2.gz WVAQJZBRRHAHCU-WCQYABFASA-N 0 0 304.412 0.079 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC000179417363 416186152 /nfs/dbraw/zinc/18/61/52/416186152.db2.gz IEIBDCNCHYHGOE-JTQLQIEISA-N 0 0 311.407 0.376 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000179362602 416186467 /nfs/dbraw/zinc/18/64/67/416186467.db2.gz IPDRBHBYQWWGBM-AXFHLTTASA-N 0 0 311.386 0.886 10 0 DCAERN COc1n[nH]c(NC(=O)c2cn(Cc3cccc(F)c3)nn2)n1 ZINC000179378687 416186511 /nfs/dbraw/zinc/18/65/11/416186511.db2.gz RFMVPFQENMOZPB-UHFFFAOYSA-N 0 0 317.284 0.845 10 0 DCAERN COC[C@@H](O)CCNC(=O)NCc1cccnc1-n1cccn1 ZINC000179464052 416187781 /nfs/dbraw/zinc/18/77/81/416187781.db2.gz AJUWWZIEYICLSE-ZDUSSCGKSA-N 0 0 319.365 0.464 10 0 DCAERN COC[C@@H](CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)OC ZINC000358096203 416191383 /nfs/dbraw/zinc/19/13/83/416191383.db2.gz FEUMYKMDZDSPFK-MWLCHTKSSA-N 0 0 314.304 0.747 10 0 DCAERN COC[C@@H](CNC(=O)NCC(=O)NC1CCCCC1)OC ZINC000358119423 416194788 /nfs/dbraw/zinc/19/47/88/416194788.db2.gz JXGLHVCUUOPJPX-GFCCVEGCSA-N 0 0 301.387 0.396 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000330194427 416197854 /nfs/dbraw/zinc/19/78/54/416197854.db2.gz OSUNWXSGQKVODI-UONOGXRCSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000180707554 416200040 /nfs/dbraw/zinc/20/00/40/416200040.db2.gz RQRRFYLZNIOCSM-NEPJUHHUSA-N 0 0 323.359 0.708 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@H]([C@H](C)O)C2)cc1 ZINC000181043260 416202652 /nfs/dbraw/zinc/20/26/52/416202652.db2.gz UKIWNPSQZFURPV-AAEUAGOBSA-N 0 0 306.362 0.654 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)CC1 ZINC000358169469 416206059 /nfs/dbraw/zinc/20/60/59/416206059.db2.gz PQSQYCFBEJSIOR-ZDUSSCGKSA-N 0 0 317.455 0.761 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181321638 416206811 /nfs/dbraw/zinc/20/68/11/416206811.db2.gz RLIHRUGNYHZVOC-AWEZNQCLSA-N 0 0 321.425 0.542 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCc1cn[nH]c1 ZINC000358182007 416207892 /nfs/dbraw/zinc/20/78/92/416207892.db2.gz DMHOKOOZLLYEHL-ZJUUUORDSA-N 0 0 302.400 0.415 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CCNC(=O)C(C)(C)C)cn1 ZINC000181415829 416207991 /nfs/dbraw/zinc/20/79/91/416207991.db2.gz QLSKABCQPIBTHK-ZDUSSCGKSA-N 0 0 321.425 0.445 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)N(C)C(C)C)CC2 ZINC000181729329 416211978 /nfs/dbraw/zinc/21/19/78/416211978.db2.gz OFQDCSRDCKKAND-NSHDSACASA-N 0 0 315.443 0.891 10 0 DCAERN CCOC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181992544 416212914 /nfs/dbraw/zinc/21/29/14/416212914.db2.gz KZRZBBHDPDZIPB-UHFFFAOYSA-N 0 0 312.269 0.942 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1Cc1csc(CC(=O)NC)n1 ZINC000182255652 416217733 /nfs/dbraw/zinc/21/77/33/416217733.db2.gz AXMIYAJCLTUSPV-NSHDSACASA-N 0 0 311.407 0.959 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358300869 416222048 /nfs/dbraw/zinc/22/20/48/416222048.db2.gz GQLQOKWUAVDLQM-CYBMUJFWSA-N 0 0 318.439 0.183 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(C2CC2)CC1 ZINC000178163645 416157880 /nfs/dbraw/zinc/15/78/80/416157880.db2.gz XIVMCBZBBIBTQQ-NSHDSACASA-N 0 0 303.366 0.069 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000183350853 416240354 /nfs/dbraw/zinc/24/03/54/416240354.db2.gz YRLWZTOJCHUCFK-ZCRIDZFUSA-N 0 0 314.338 0.312 10 0 DCAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC(C)(CO)CO)cc1 ZINC000183523798 416244276 /nfs/dbraw/zinc/24/42/76/416244276.db2.gz IDIAJVCSRVYHGQ-MFKMUULPSA-N 0 0 306.362 0.754 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000341858718 416244217 /nfs/dbraw/zinc/24/42/17/416244217.db2.gz ITZWRVNBOHQXGM-AAEUAGOBSA-N 0 0 309.410 0.664 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328890454 287326532 /nfs/dbraw/zinc/32/65/32/287326532.db2.gz RRLATVAYQNFAIN-AVGNSLFASA-N 0 0 308.382 0.920 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183946791 416250939 /nfs/dbraw/zinc/25/09/39/416250939.db2.gz FLYIMSLCRJJTEU-SECBINFHSA-N 0 0 310.379 0.473 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(-c2cccnc2)on1 ZINC000358540302 416253282 /nfs/dbraw/zinc/25/32/82/416253282.db2.gz UNHNGGFNYGGFNP-HNNXBMFYSA-N 0 0 319.317 0.781 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1CCN1C(=O)NC2(CCCC2)C1=O ZINC000185968599 416255287 /nfs/dbraw/zinc/25/52/87/416255287.db2.gz UADGCBMRGSEJQO-HNNXBMFYSA-N 0 0 322.409 0.581 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000187187981 416260373 /nfs/dbraw/zinc/26/03/73/416260373.db2.gz XSAHCFBMDCMAOJ-WFASDCNBSA-N 0 0 307.398 0.787 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)c2cncc(OC)n2)c1 ZINC000358627734 416261989 /nfs/dbraw/zinc/26/19/89/416261989.db2.gz BUDYZHPKVUEYBX-UHFFFAOYSA-N 0 0 322.346 0.646 10 0 DCAERN COCC(C)(C)CCCNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000358632725 416263652 /nfs/dbraw/zinc/26/36/52/416263652.db2.gz BEFNNXPXPVPELZ-LLVKDONJSA-N 0 0 300.403 0.891 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)c1 ZINC000189643704 416268273 /nfs/dbraw/zinc/26/82/73/416268273.db2.gz YKPZKYQHJYVIOP-UHFFFAOYSA-N 0 0 301.302 0.942 10 0 DCAERN CC(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)[C@H](C)C1 ZINC000358690136 416269862 /nfs/dbraw/zinc/26/98/62/416269862.db2.gz NJZMBXWDNHOILZ-LLVKDONJSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@H]1CC[C@@H](CN2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000190303081 416277594 /nfs/dbraw/zinc/27/75/94/416277594.db2.gz QHVAENMLIDBLOX-GJZGRUSLSA-N 0 0 311.426 0.030 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc[nH]n2)cc1 ZINC000183207167 416237387 /nfs/dbraw/zinc/23/73/87/416237387.db2.gz NFTAXKZCYCNCEH-MRVPVSSYSA-N 0 0 309.351 0.204 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1Cl ZINC000183365222 416239546 /nfs/dbraw/zinc/23/95/46/416239546.db2.gz WDDUILCPOBJGRM-SECBINFHSA-N 0 0 318.782 0.523 10 0 DCAERN CCOC(=O)CC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192216235 416300936 /nfs/dbraw/zinc/30/09/36/416300936.db2.gz ZBBHLBUXUFYUIM-ZDUSSCGKSA-N 0 0 322.336 0.996 10 0 DCAERN CN(CCNC(=O)C(=O)N1CCC12CCC2)CC(F)(F)F ZINC000359205761 416313652 /nfs/dbraw/zinc/31/36/52/416313652.db2.gz KXRPNOOHNFZZSS-UHFFFAOYSA-N 0 0 307.316 0.752 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193277352 416314418 /nfs/dbraw/zinc/31/44/18/416314418.db2.gz YWGPSDFWGREUQM-JLTPVHFHSA-N 0 0 307.375 0.990 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000193471255 416318073 /nfs/dbraw/zinc/31/80/73/416318073.db2.gz XQNVLXGOMNPIBM-CHWSQXEVSA-N 0 0 320.393 0.242 10 0 DCAERN COC(=O)C1(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000359303635 416320030 /nfs/dbraw/zinc/32/00/30/416320030.db2.gz DCQAJJSLVLBUQM-VXGBXAGGSA-N 0 0 314.382 0.775 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCc1cc(F)ccc1F ZINC000193991217 416321057 /nfs/dbraw/zinc/32/10/57/416321057.db2.gz JOVDZSXNVRPAQO-SECBINFHSA-N 0 0 320.361 0.903 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000190508366 416279054 /nfs/dbraw/zinc/27/90/54/416279054.db2.gz KLDYZCNCKJADBM-GFCCVEGCSA-N 0 0 309.410 0.618 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1nc(C(C)C)cs1 ZINC000190444607 416280235 /nfs/dbraw/zinc/28/02/35/416280235.db2.gz VJZVZZUCZGZHKW-UHFFFAOYSA-N 0 0 306.413 0.937 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)C12CCC2 ZINC000358837012 416282007 /nfs/dbraw/zinc/28/20/07/416282007.db2.gz XBJIAIVDDHUJTF-YIYPIFLZSA-N 0 0 324.421 0.680 10 0 DCAERN CN1CCN(C(=O)Cc2cccc(NC(=O)C(C)(C)O)c2)CC1 ZINC000191835047 416290111 /nfs/dbraw/zinc/29/01/11/416290111.db2.gz IFUIHLQOWAPFEQ-UHFFFAOYSA-N 0 0 319.405 0.713 10 0 DCAERN CCN1CN(C(=O)NCCNC(=O)c2ccccc2)CC1=O ZINC000191893759 416292340 /nfs/dbraw/zinc/29/23/40/416292340.db2.gz LBTHEVPPQGYNIG-UHFFFAOYSA-N 0 0 304.350 0.248 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2snnc2C(C)(C)C)CCO1 ZINC000191962821 416293278 /nfs/dbraw/zinc/29/32/78/416293278.db2.gz GXBDMDUBIVIQTH-QMMMGPOBSA-N 0 0 312.395 0.423 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1cnns1 ZINC000192029028 416297006 /nfs/dbraw/zinc/29/70/06/416297006.db2.gz HCHNAAXFWAJGDX-GFCCVEGCSA-N 0 0 300.384 0.780 10 0 DCAERN CC(C)[C@@H](NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)C(N)=O ZINC000192088297 416298990 /nfs/dbraw/zinc/29/89/90/416298990.db2.gz XDBXFLKLKZKHMP-JOYOIKCWSA-N 0 0 321.381 0.419 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(F)(F)CN2)CCN1CCOC ZINC000263118270 416337430 /nfs/dbraw/zinc/33/74/30/416337430.db2.gz ATGVAYPYDZNUML-VXGBXAGGSA-N 0 0 305.369 0.553 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)NC[C@@H](CO)C2CC2)c(=O)c1 ZINC000359779789 416358515 /nfs/dbraw/zinc/35/85/15/416358515.db2.gz ZBSJMWHEVKUMEN-XJKSGUPXSA-N 0 0 308.378 0.042 10 0 DCAERN OC[C@@H]1CCCN1c1cc(NC[C@@H](O)C(F)(F)F)ncn1 ZINC000264316702 416339231 /nfs/dbraw/zinc/33/92/31/416339231.db2.gz INGARSLVHIGJHS-DTWKUNHWSA-N 0 0 306.288 0.773 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C[C@@H]1O ZINC000359431104 416345469 /nfs/dbraw/zinc/34/54/69/416345469.db2.gz WRDGOBLFUOFQFM-MFKMUULPSA-N 0 0 304.346 0.789 10 0 DCAERN O=C(CCNC(=O)Cc1ccccc1)NCCc1nnc[nH]1 ZINC000359758564 416357296 /nfs/dbraw/zinc/35/72/96/416357296.db2.gz WRXYZCQLXCJTIO-UHFFFAOYSA-N 0 0 301.350 0.212 10 0 DCAERN Cc1ccn(CC(=O)NCc2cccnc2N(C)C)c(=O)c1 ZINC000194404435 416322911 /nfs/dbraw/zinc/32/29/11/416322911.db2.gz JWRRDILLOVNKDY-UHFFFAOYSA-N 0 0 300.362 0.934 10 0 DCAERN CC(C)c1nnc(CN2CCN(S(C)(=O)=O)CC2)n1C ZINC000195041196 416325126 /nfs/dbraw/zinc/32/51/26/416325126.db2.gz UKZNKZZIERJZND-UHFFFAOYSA-N 0 0 301.416 0.016 10 0 DCAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1COCCN1 ZINC000237902609 416329127 /nfs/dbraw/zinc/32/91/27/416329127.db2.gz HNKVUEQVJXIFRK-UONOGXRCSA-N 0 0 309.410 0.272 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246275650 416331703 /nfs/dbraw/zinc/33/17/03/416331703.db2.gz RLEIQTUKPALZOU-OLZOCXBDSA-N 0 0 309.410 0.367 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)C2CC2)o1 ZINC000359818951 416360622 /nfs/dbraw/zinc/36/06/22/416360622.db2.gz HEYLNVURUKGGEA-JTQLQIEISA-N 0 0 316.379 0.278 10 0 DCAERN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](CO)C1CC1 ZINC000359818545 416361049 /nfs/dbraw/zinc/36/10/49/416361049.db2.gz GLZHAALFEVUBPC-HNNXBMFYSA-N 0 0 304.390 0.870 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000360166493 416376217 /nfs/dbraw/zinc/37/62/17/416376217.db2.gz YLSDGILAUHJKDS-UHIISALHSA-N 0 0 300.424 0.618 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CC=CCC2)C1 ZINC000360324356 416386398 /nfs/dbraw/zinc/38/63/98/416386398.db2.gz KGSGCAIXMCWUHW-KGLIPLIRSA-N 0 0 321.421 0.928 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@]2(OC)CCOC2)C1 ZINC000360466643 416391831 /nfs/dbraw/zinc/39/18/31/416391831.db2.gz HUKBWNHAMHVXCX-DOMZBBRYSA-N 0 0 313.398 0.492 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)cn1 ZINC000360469366 416392083 /nfs/dbraw/zinc/39/20/83/416392083.db2.gz OVDPOMPHDMTOOQ-VHSXEESVSA-N 0 0 323.349 0.276 10 0 DCAERN CN1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC1=O ZINC000360488871 416392729 /nfs/dbraw/zinc/39/27/29/416392729.db2.gz FBRWBXLJGZNTJA-UHFFFAOYSA-N 0 0 322.434 0.124 10 0 DCAERN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CC(=O)N(C)C1 ZINC000360493121 416393025 /nfs/dbraw/zinc/39/30/25/416393025.db2.gz VQBQZQKBFQFRTP-VXGBXAGGSA-N 0 0 305.378 0.992 10 0 DCAERN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CC(=O)N(C)C1 ZINC000360492202 416393242 /nfs/dbraw/zinc/39/32/42/416393242.db2.gz QMNREQUHULXBFP-ZDUSSCGKSA-N 0 0 322.361 0.369 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360541495 416395367 /nfs/dbraw/zinc/39/53/67/416395367.db2.gz GEZMHXOEMYWMBW-SWLSCSKDSA-N 0 0 306.362 0.817 10 0 DCAERN COCC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C)c1ccco1 ZINC000360739933 416406638 /nfs/dbraw/zinc/40/66/38/416406638.db2.gz RPHAIDLOUAVHHC-AVGNSLFASA-N 0 0 324.377 0.703 10 0 DCAERN CN1CCO[C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000532878312 416462333 /nfs/dbraw/zinc/46/23/33/416462333.db2.gz BHCLOBJVBHGQPC-HUUCEWRRSA-N 0 0 315.373 0.297 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000532984252 416465774 /nfs/dbraw/zinc/46/57/74/416465774.db2.gz ANXQCEIQHPRXPO-GHMZBOCLSA-N 0 0 312.395 0.315 10 0 DCAERN CCN1C[C@@H](NC(=O)NCCc2cccc(OC)n2)CC1=O ZINC000458526019 416476649 /nfs/dbraw/zinc/47/66/49/416476649.db2.gz RSUHJLDZDSUWQQ-LBPRGKRZSA-N 0 0 306.366 0.553 10 0 DCAERN Cc1ccc(CC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)o1 ZINC000533122212 416477988 /nfs/dbraw/zinc/47/79/88/416477988.db2.gz SOUPTXOBNZVXGS-UHFFFAOYSA-N 0 0 303.366 0.901 10 0 DCAERN Cn1cnnc1[C@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000583622863 416479994 /nfs/dbraw/zinc/47/99/94/416479994.db2.gz IXHRDSGPAAPXJL-WDEREUQCSA-N 0 0 311.411 0.794 10 0 DCAERN C[S@](=O)CCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361210054 416425990 /nfs/dbraw/zinc/42/59/90/416425990.db2.gz XFQLSPLNQQJSCM-FVINQWEUSA-N 0 0 316.345 0.854 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(OC)C2CC2)C1 ZINC000361551699 416446261 /nfs/dbraw/zinc/44/62/61/416446261.db2.gz QKKPKDNGBFZJQB-DOMZBBRYSA-N 0 0 312.414 0.905 10 0 DCAERN COC[C@](C)(O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000532754387 416452979 /nfs/dbraw/zinc/45/29/79/416452979.db2.gz QDIKOBYKJGIMLK-NSHDSACASA-N 0 0 309.288 0.795 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC23CCC3)C1 ZINC000532799120 416458813 /nfs/dbraw/zinc/45/88/13/416458813.db2.gz KICOXVCYINPRAI-NSHDSACASA-N 0 0 301.412 0.606 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000535709802 416523229 /nfs/dbraw/zinc/52/32/29/416523229.db2.gz PRBULGLQEGSXBS-LLVKDONJSA-N 0 0 317.324 0.894 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(F)F)c(C)c1 ZINC000435625442 416528947 /nfs/dbraw/zinc/52/89/47/416528947.db2.gz IGRVFGDOENAXLA-VIFPVBQESA-N 0 0 323.317 0.686 10 0 DCAERN CSc1ncc(Cl)c(C(=O)NC[C@H](C)S(N)(=O)=O)n1 ZINC000535784996 416530130 /nfs/dbraw/zinc/53/01/30/416530130.db2.gz PNIYASCUTZXPAD-YFKPBYRVSA-N 0 0 324.815 0.259 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)N(CCO)CCOCCO ZINC000459368162 416537337 /nfs/dbraw/zinc/53/73/37/416537337.db2.gz DQJSZUREAOZZGY-UHFFFAOYSA-N 0 0 324.377 0.847 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](COc2ccccc2)C1 ZINC000361983468 416540958 /nfs/dbraw/zinc/54/09/58/416540958.db2.gz IUWLRDMXJGKLFM-JSGCOSHPSA-N 0 0 321.377 0.610 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)N[C@H]2CC[C@@H](OC)C2)cc1C ZINC000471931530 416551306 /nfs/dbraw/zinc/55/13/06/416551306.db2.gz KUHTYKNJNFAXHK-WDEREUQCSA-N 0 0 309.370 0.627 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000434741759 416493484 /nfs/dbraw/zinc/49/34/84/416493484.db2.gz ISAUEWVLMBBTKZ-FOGDFJRCSA-N 0 0 306.366 0.982 10 0 DCAERN C[C@H](CCO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434810275 416498095 /nfs/dbraw/zinc/49/80/95/416498095.db2.gz XRSFODNAECKASH-SNVBAGLBSA-N 0 0 309.366 1.332 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C(C)=O)C[C@@H]1C)[C@@H]1CCCO1 ZINC000434861648 416500193 /nfs/dbraw/zinc/50/01/93/416500193.db2.gz NZAWAOPPPPPADD-UBHSHLNASA-N 0 0 313.398 0.443 10 0 DCAERN COC(=O)CNC(=O)CNC(=O)CC/C=C/c1ccccc1 ZINC000534315927 416500628 /nfs/dbraw/zinc/50/06/28/416500628.db2.gz TYCWLDZPGXREOV-WEVVVXLNSA-N 0 0 304.346 0.885 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000435185369 416510896 /nfs/dbraw/zinc/51/08/96/416510896.db2.gz WLLOCLVUKILECJ-UHFFFAOYSA-N 0 0 319.369 1.259 10 0 DCAERN NC(=O)CCC1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000535052978 416515061 /nfs/dbraw/zinc/51/50/61/416515061.db2.gz AZKBAEPVSYHBQM-UHFFFAOYSA-N 0 0 301.350 0.847 10 0 DCAERN Cc1c(NC(=O)C(=O)N(C)Cc2nc[nH]n2)cccc1N(C)C ZINC000435272330 416516574 /nfs/dbraw/zinc/51/65/74/416516574.db2.gz QNIMGWDOTWQQDJ-UHFFFAOYSA-N 0 0 316.365 0.776 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCSC[C@H]2CCO)CC1=O ZINC000459018564 416518023 /nfs/dbraw/zinc/51/80/23/416518023.db2.gz HORIWCMBUCRTRY-GHMZBOCLSA-N 0 0 301.412 0.117 10 0 DCAERN O=C(NC1CC1)c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000361910000 416520843 /nfs/dbraw/zinc/52/08/43/416520843.db2.gz FOOMZSYRMDXUOC-UHFFFAOYSA-N 0 0 311.345 0.867 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000364897900 416596308 /nfs/dbraw/zinc/59/63/08/416596308.db2.gz UOUDTHMPGWQTPH-QWRGUYRKSA-N 0 0 307.416 0.087 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(COC)n1 ZINC000362662378 416569164 /nfs/dbraw/zinc/56/91/64/416569164.db2.gz IFBRXRCJORPMDF-MNOVXSKESA-N 0 0 324.381 0.800 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)c2cccc3ncnn32)n1 ZINC000547649002 416679958 /nfs/dbraw/zinc/67/99/58/416679958.db2.gz NOXZGWBTWBPRPW-SNVBAGLBSA-N 0 0 300.322 1.386 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCCO1 ZINC000440119729 416626789 /nfs/dbraw/zinc/62/67/89/416626789.db2.gz QRRXOGPJCOQEOO-LLVKDONJSA-N 0 0 323.397 0.999 10 0 DCAERN C[C@@H](CNC(=O)c1cccc2ncnn21)CN1CCOCC1 ZINC000542940202 416635859 /nfs/dbraw/zinc/63/58/59/416635859.db2.gz JSHDFUOXSRCEMM-LBPRGKRZSA-N 0 0 303.366 0.427 10 0 DCAERN CCS(=O)(=O)N1CCC(CN[C@H](C(=O)OC)C2CC2)CC1 ZINC000543658222 416643119 /nfs/dbraw/zinc/64/31/19/416643119.db2.gz XDNFEAYUSNIJHU-ZDUSSCGKSA-N 0 0 318.439 0.589 10 0 DCAERN Cn1ccnc1C[C@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000608478119 416650976 /nfs/dbraw/zinc/65/09/76/416650976.db2.gz UAIBKGDLOCJJGN-ZDUSSCGKSA-N 0 0 315.377 0.879 10 0 DCAERN Cn1ncc2cc(C(=O)N3CCN4CCOC[C@@H]4C3)cnc21 ZINC000544699614 416658700 /nfs/dbraw/zinc/65/87/00/416658700.db2.gz WRYDWPUNTBROLK-ZDUSSCGKSA-N 0 0 301.350 0.125 10 0 DCAERN Cn1ncc2cc(C(=O)N3CCN4CCOC[C@H]4C3)cnc21 ZINC000544699613 416658889 /nfs/dbraw/zinc/65/88/89/416658889.db2.gz WRYDWPUNTBROLK-CYBMUJFWSA-N 0 0 301.350 0.125 10 0 DCAERN CCOCC1(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000441052377 416660272 /nfs/dbraw/zinc/66/02/72/416660272.db2.gz QJEFRIAPWIDYMS-ZDUSSCGKSA-N 0 0 310.394 0.699 10 0 DCAERN CC(C)(C)c1cc(NC(=O)C(=O)N2CC(n3ccnn3)C2)no1 ZINC000441310077 416668890 /nfs/dbraw/zinc/66/88/90/416668890.db2.gz JIOVVBLTOWCFOP-UHFFFAOYSA-N 0 0 318.337 0.586 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000545318306 416671949 /nfs/dbraw/zinc/67/19/49/416671949.db2.gz ZCLUNDXKONCJDC-NWDGAFQWSA-N 0 0 302.396 0.749 10 0 DCAERN CC(C)OC[C@@H]1CN(C[C@@H](O)COC[C@H]2CCCO2)CCO1 ZINC000545324092 416672703 /nfs/dbraw/zinc/67/27/03/416672703.db2.gz FZOCJQZVPQPYHM-OAGGEKHMSA-N 0 0 317.426 0.669 10 0 DCAERN Cc1cc(C(=O)N2CC(n3ccnn3)C2)ccc1-n1cncn1 ZINC000368605988 416673237 /nfs/dbraw/zinc/67/32/37/416673237.db2.gz ZUAYAKOFZJJXHQ-UHFFFAOYSA-N 0 0 309.333 0.864 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC000369296242 416748143 /nfs/dbraw/zinc/74/81/43/416748143.db2.gz APXIKJZTHXUONG-LBPRGKRZSA-N 0 0 314.411 0.040 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)NCCOCC1CCC1 ZINC000557866284 416751554 /nfs/dbraw/zinc/75/15/54/416751554.db2.gz HOIYQQUGHCLDIG-UHFFFAOYSA-N 0 0 316.379 0.782 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN3CCOC[C@H]3C2)cc1 ZINC000368820237 416694625 /nfs/dbraw/zinc/69/46/25/416694625.db2.gz CMMZFUFJEGVCPU-MRXNPFEDSA-N 0 0 303.406 0.628 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)C(C)C ZINC000551978309 416697048 /nfs/dbraw/zinc/69/70/48/416697048.db2.gz HMWSFGQHJYFLCM-TZMCWYRMSA-N 0 0 319.409 0.926 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@@]2(OC)CCOC2)no1 ZINC000442640601 416699690 /nfs/dbraw/zinc/69/96/90/416699690.db2.gz BIRWSWZMIDIKNS-AWEZNQCLSA-N 0 0 312.370 0.972 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCCn2ccnn2)no1 ZINC000442643489 416702515 /nfs/dbraw/zinc/70/25/15/416702515.db2.gz DIMASBCQQWCHES-UHFFFAOYSA-N 0 0 307.358 0.848 10 0 DCAERN C[C@H](O)CN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@@H](C)CO ZINC000442703771 416706413 /nfs/dbraw/zinc/70/64/13/416706413.db2.gz JRRWWEQMFYUXQW-QWRGUYRKSA-N 0 0 311.382 0.411 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)no1 ZINC000442706252 416706550 /nfs/dbraw/zinc/70/65/50/416706550.db2.gz CVEATITUKIOCAS-RKDXNWHRSA-N 0 0 309.370 0.833 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1CC[C@@H]1COc2ccccc2O1 ZINC000516703074 416735888 /nfs/dbraw/zinc/73/58/88/416735888.db2.gz AQXPQDPFYUBLCE-BZNIZROVSA-N 0 0 318.329 0.927 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1nnc2ccccn21 ZINC000443537613 416766264 /nfs/dbraw/zinc/76/62/64/416766264.db2.gz DFFZBIFCSFPCMU-MNOVXSKESA-N 0 0 307.354 0.003 10 0 DCAERN CCN(CC(=O)OC)S(=O)(=O)c1cc(Cl)cnc1N ZINC000443780743 416780964 /nfs/dbraw/zinc/78/09/64/416780964.db2.gz UAXTXDVENKAZCT-UHFFFAOYSA-N 0 0 307.759 0.501 10 0 DCAERN c1c(C2CC2)[nH]nc1N1CCN(CCN2CCOCC2)CC1 ZINC000426748372 416783090 /nfs/dbraw/zinc/78/30/90/416783090.db2.gz WUVYNXXJPNQGHA-UHFFFAOYSA-N 0 0 305.426 0.741 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000369476476 416786275 /nfs/dbraw/zinc/78/62/75/416786275.db2.gz LPSDHYMENJXZPU-NSHDSACASA-N 0 0 310.379 0.793 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccco1 ZINC000623342196 416808849 /nfs/dbraw/zinc/80/88/49/416808849.db2.gz LLLWSPXPTLSPBG-UHFFFAOYSA-N 0 0 309.366 0.705 10 0 DCAERN CCn1cccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)c1=O ZINC000559531437 416817084 /nfs/dbraw/zinc/81/70/84/416817084.db2.gz BIWOAVJOCOZPFH-AWEZNQCLSA-N 0 0 320.393 0.094 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC(O)(CO)C2)ccc1OC(C)C ZINC000615437847 416833096 /nfs/dbraw/zinc/83/30/96/416833096.db2.gz YMOCEISGLSEAPW-UHFFFAOYSA-N 0 0 307.346 0.856 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)n1 ZINC000623556822 416842309 /nfs/dbraw/zinc/84/23/09/416842309.db2.gz AFKKHGNQVLIASI-GUBZILKMSA-N 0 0 312.395 0.797 10 0 DCAERN CCc1nnc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)[nH]1 ZINC000560365269 416847972 /nfs/dbraw/zinc/84/79/72/416847972.db2.gz JRFMFVSJDRNUJL-MNOVXSKESA-N 0 0 311.361 0.138 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1csc(-c2cnn(C)c2)n1 ZINC000616028168 416956728 /nfs/dbraw/zinc/95/67/28/416956728.db2.gz HRYKTEVZQOGSER-RYUDHWBXSA-N 0 0 322.390 0.652 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2ccc(OCC(N)=O)cc2)C1=O ZINC000445893182 416903062 /nfs/dbraw/zinc/90/30/62/416903062.db2.gz IEOQAILQCBMLNP-DLGQBQFBSA-N 0 0 303.318 0.942 10 0 DCAERN COc1ccc(F)c(NC(=O)Nc2ccn(CC(N)=O)n2)c1 ZINC000446343481 416924341 /nfs/dbraw/zinc/92/43/41/416924341.db2.gz WPTJYSDJILMCMM-UHFFFAOYSA-N 0 0 307.285 1.160 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000447761278 417027262 /nfs/dbraw/zinc/02/72/62/417027262.db2.gz UMBUGRUDVOSBCV-INIZCTEOSA-N 0 0 315.329 0.703 10 0 DCAERN Cc1nnc(NC2CCC(N3CCCS3(=O)=O)CC2)o1 ZINC000376448165 417030369 /nfs/dbraw/zinc/03/03/69/417030369.db2.gz MCVDQCARYOWVHU-UHFFFAOYSA-N 0 0 300.384 1.137 10 0 DCAERN C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C[C@@H](C)O1 ZINC000429849634 417001397 /nfs/dbraw/zinc/00/13/97/417001397.db2.gz UTEVIKXDBYDIFX-GHMZBOCLSA-N 0 0 305.396 0.216 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000375938701 417013202 /nfs/dbraw/zinc/01/32/02/417013202.db2.gz UTIXAFFUWDVXGT-LZWOXQAQSA-N 0 0 323.437 0.661 10 0 DCAERN Cc1nc(C)c(F)c(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000624422197 417037252 /nfs/dbraw/zinc/03/72/52/417037252.db2.gz IVXNSBHFNURJTI-VXGBXAGGSA-N 0 0 307.329 0.595 10 0 DCAERN Cn1nc(NC(=O)C(=O)N2CCOCC3(CC3)C2)cc1C1CC1 ZINC000522041412 417045167 /nfs/dbraw/zinc/04/51/67/417045167.db2.gz ZKALQZHMXDHXSE-UHFFFAOYSA-N 0 0 318.377 0.875 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)Cc1cnn2c1CCCC2 ZINC000632393303 417062505 /nfs/dbraw/zinc/06/25/05/417062505.db2.gz LPPVEMMGNULMKY-CQSZACIVSA-N 0 0 305.378 0.968 10 0 DCAERN CCOC(=O)CCS(=O)(=O)c1c(C(=O)OCC)cnn1C ZINC000616583409 417079950 /nfs/dbraw/zinc/07/99/50/417079950.db2.gz QFOQDDDICFPMEF-UHFFFAOYSA-N 0 0 318.351 0.324 10 0 DCAERN Nc1cc([C@@H]2c3ccccc3CCN2S(N)(=O)=O)ccn1 ZINC000616583255 417080942 /nfs/dbraw/zinc/08/09/42/417080942.db2.gz HFJBXFXTLFXDDJ-CQSZACIVSA-N 0 0 304.375 0.815 10 0 DCAERN CCCCC(=O)O[C@H]1O[C@H]([C@@H](O)CO)[C@H]2OC(C)(C)O[C@H]12 ZINC000616582419 417081839 /nfs/dbraw/zinc/08/18/39/417081839.db2.gz GBOXGZJXWIPQOH-ZENYVHOSSA-N 0 0 304.339 0.318 10 0 DCAERN Nc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cn1 ZINC000616604631 417083557 /nfs/dbraw/zinc/08/35/57/417083557.db2.gz XWLCYFNQOMFJHJ-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Cc1nc(N)nc(NCCCn2cc(Br)cn2)n1 ZINC000381217817 417085515 /nfs/dbraw/zinc/08/55/15/417085515.db2.gz XTYGHLVHUPQEDU-UHFFFAOYSA-N 0 0 312.175 0.645 10 0 DCAERN CCOC(=O)c1cccc([C@H]2CNCCN2S(N)(=O)=O)c1 ZINC000616638018 417087061 /nfs/dbraw/zinc/08/70/61/417087061.db2.gz FHFSRUYLEDXRNG-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CCOCCN1S(N)(=O)=O ZINC000616661627 417088934 /nfs/dbraw/zinc/08/89/34/417088934.db2.gz WLHNHGHCCVPJDA-JTQLQIEISA-N 0 0 323.415 0.196 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCN[C@@H](c2ccncn2)C1 ZINC000616652015 417090613 /nfs/dbraw/zinc/09/06/13/417090613.db2.gz AZNOLYSEKJYZEY-CYBMUJFWSA-N 0 0 307.398 0.948 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CCOCCN1S(C)(=O)=O ZINC000616659530 417091419 /nfs/dbraw/zinc/09/14/19/417091419.db2.gz MQOMEHVRBXCYKV-LLVKDONJSA-N 0 0 322.427 0.952 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616769871 417107031 /nfs/dbraw/zinc/10/70/31/417107031.db2.gz NXYZSFZMJWJNRI-HWWQOWPSSA-N 0 0 315.329 0.645 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1cc(F)cc(F)c1 ZINC000404127429 417119266 /nfs/dbraw/zinc/11/92/66/417119266.db2.gz ASNJXFRQCLYYKP-LBPRGKRZSA-N 0 0 307.318 0.785 10 0 DCAERN O=C(c1nscc1Br)N1C[C@H](O)[C@H](CO)C1 ZINC000404883125 417120136 /nfs/dbraw/zinc/12/01/36/417120136.db2.gz CLEOQJSMULXWBW-FSPLSTOPSA-N 0 0 307.169 0.331 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408017173 417133692 /nfs/dbraw/zinc/13/36/92/417133692.db2.gz PUNWJRSXFFSGPR-OLZOCXBDSA-N 0 0 305.444 0.224 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408017172 417133893 /nfs/dbraw/zinc/13/38/93/417133893.db2.gz PUNWJRSXFFSGPR-CHWSQXEVSA-N 0 0 305.444 0.224 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000525233030 417130106 /nfs/dbraw/zinc/13/01/06/417130106.db2.gz WRLTUZGRTXDKPD-STQMWFEESA-N 0 0 307.398 0.993 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(O)CC1)C2=O ZINC000408091007 417141131 /nfs/dbraw/zinc/14/11/31/417141131.db2.gz GHPSMAAFNZKQRI-UHFFFAOYSA-N 0 0 323.393 0.470 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000408069470 417136602 /nfs/dbraw/zinc/13/66/02/417136602.db2.gz BQTCDFICINDNIK-UMVBOHGHSA-N 0 0 311.426 0.301 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000408447798 417161265 /nfs/dbraw/zinc/16/12/65/417161265.db2.gz IMGVRKRCNBEPKV-WCABBAIRSA-N 0 0 308.300 0.959 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000408190429 417146319 /nfs/dbraw/zinc/14/63/19/417146319.db2.gz YQKACJUCARIUBQ-NSHDSACASA-N 0 0 308.386 1.166 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC(=O)N1 ZINC000408187938 417147622 /nfs/dbraw/zinc/14/76/22/417147622.db2.gz BEMQBZLOHSPTPC-QJPTWQEYSA-N 0 0 305.382 0.842 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)Cc1ccon1 ZINC000625758785 417150179 /nfs/dbraw/zinc/15/01/79/417150179.db2.gz ILQIQCJAMQNLCG-UHFFFAOYSA-N 0 0 324.381 0.443 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC[C@H](C)CCO)c1 ZINC000437771480 287363827 /nfs/dbraw/zinc/36/38/27/287363827.db2.gz FMFPGHGAASEWTM-SNVBAGLBSA-N 0 0 315.395 0.735 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCN1C ZINC000408359509 417155565 /nfs/dbraw/zinc/15/55/65/417155565.db2.gz UNYRLUYBXAUGPN-LBPRGKRZSA-N 0 0 304.456 0.998 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCCSCC1 ZINC000408394746 417158891 /nfs/dbraw/zinc/15/88/91/417158891.db2.gz NZCNAVDNNTXJRP-JTQLQIEISA-N 0 0 308.469 0.916 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)[C@@H](C)C1 ZINC000527004032 417201809 /nfs/dbraw/zinc/20/18/09/417201809.db2.gz GNUZJZMDBGVZBR-RYUDHWBXSA-N 0 0 303.366 0.256 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1cccc(F)c1 ZINC000632628858 417202945 /nfs/dbraw/zinc/20/29/45/417202945.db2.gz BEMXNUKUOUFYDU-GFCCVEGCSA-N 0 0 302.371 0.777 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)cc1C(N)=O ZINC000620752578 417271850 /nfs/dbraw/zinc/27/18/50/417271850.db2.gz GJOFZXGQTZXBOJ-UHFFFAOYSA-N 0 0 323.418 0.563 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCC(C2N=NC(=O)O2)CC1 ZINC000450920283 417280521 /nfs/dbraw/zinc/28/05/21/417280521.db2.gz VMNZSNHNCIVECP-UHFFFAOYSA-N 0 0 307.358 0.896 10 0 DCAERN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)CCO1 ZINC000569283766 417234331 /nfs/dbraw/zinc/23/43/31/417234331.db2.gz OHLWYPITZJSAMY-UONOGXRCSA-N 0 0 324.421 0.945 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(CC[C@@H](C)O)CC2)cs1 ZINC000450548815 417236339 /nfs/dbraw/zinc/23/63/39/417236339.db2.gz AEJFHMHMQJUFEA-SNVBAGLBSA-N 0 0 319.452 0.529 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]2C[C@H]21 ZINC000627137337 417246380 /nfs/dbraw/zinc/24/63/80/417246380.db2.gz WKWSADVGXXUWHB-NWDGAFQWSA-N 0 0 309.410 0.807 10 0 DCAERN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N(C)CCCO ZINC000451495397 417354846 /nfs/dbraw/zinc/35/48/46/417354846.db2.gz AYXPHMVSSNHSTM-MRVPVSSYSA-N 0 0 321.317 0.515 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](NC(=O)CC)C1 ZINC000451140184 417305819 /nfs/dbraw/zinc/30/58/19/417305819.db2.gz BOXVGYOFXIAPBA-CHWSQXEVSA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cc(C)on2)CC12COC2 ZINC000452619489 417492591 /nfs/dbraw/zinc/49/25/91/417492591.db2.gz XJZAVIRKHGLAIM-GFCCVEGCSA-N 0 0 308.334 0.564 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)[C@H](C)COC)CC12COC2 ZINC000452218165 417460988 /nfs/dbraw/zinc/46/09/88/417460988.db2.gz FEXJMMFYWAJEEV-AGIUHOORSA-N 0 0 313.394 0.943 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)CC(=O)OC)CC12COC2 ZINC000452251798 417463026 /nfs/dbraw/zinc/46/30/26/417463026.db2.gz CZZYNCLSIYRFHA-QWRGUYRKSA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)c2ccccc2)CC12COC2 ZINC000452264834 417463138 /nfs/dbraw/zinc/46/31/38/417463138.db2.gz PEAPTVPPRRTLBC-CYBMUJFWSA-N 0 0 317.341 0.907 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCCn3cccc3)CC2)n1 ZINC000439393963 287387748 /nfs/dbraw/zinc/38/77/48/287387748.db2.gz RKZKLULTIZBXKZ-UHFFFAOYSA-N 0 0 318.381 0.707 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)Nc1c3c(nn1C)CCC3)N(C)C2 ZINC000644314016 417534508 /nfs/dbraw/zinc/53/45/08/417534508.db2.gz IGQHGCJUFUXLHF-GFCCVEGCSA-N 0 0 315.381 0.261 10 0 DCAERN CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000453953211 417539146 /nfs/dbraw/zinc/53/91/46/417539146.db2.gz BDXPMKPJWLFODH-ZDUSSCGKSA-N 0 0 321.425 0.918 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000575037173 417502425 /nfs/dbraw/zinc/50/24/25/417502425.db2.gz PMDAVAMPDMUYQU-RITPCOANSA-N 0 0 314.271 1.451 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000455401273 417603760 /nfs/dbraw/zinc/60/37/60/417603760.db2.gz GRPPXRNOQVGZMN-BXKDBHETSA-N 0 0 323.315 0.706 10 0 DCAERN CCN1C[C@@H](NC(=O)NCc2ccc3cc[nH]c3n2)CC1=O ZINC000455407592 417604030 /nfs/dbraw/zinc/60/40/30/417604030.db2.gz MBQZIZKQOKVYCU-LBPRGKRZSA-N 0 0 301.350 0.983 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000576404778 417606416 /nfs/dbraw/zinc/60/64/16/417606416.db2.gz PLKGBQNDONHQNZ-VXGBXAGGSA-N 0 0 301.412 0.412 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000576404775 417607260 /nfs/dbraw/zinc/60/72/60/417607260.db2.gz PLKGBQNDONHQNZ-NEPJUHHUSA-N 0 0 301.412 0.412 10 0 DCAERN Cc1nc(NC(=O)NCc2ccnc(OC(F)F)c2)nn1C ZINC000455553285 417609087 /nfs/dbraw/zinc/60/90/87/417609087.db2.gz VBKYPSZMHHZDOY-UHFFFAOYSA-N 0 0 312.280 1.442 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](C)COC)CC12COC2 ZINC000454461686 417563913 /nfs/dbraw/zinc/56/39/13/417563913.db2.gz SEEHVXKXPZSWHW-VXGBXAGGSA-N 0 0 314.382 0.490 10 0 DCAERN NC(=O)c1cnn(CC(=O)NCCc2cccc3cccnc32)c1 ZINC000531764624 417636740 /nfs/dbraw/zinc/63/67/40/417636740.db2.gz VJEIDIIHJOFJAE-UHFFFAOYSA-N 0 0 323.356 0.889 10 0 DCAERN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000532043250 417652774 /nfs/dbraw/zinc/65/27/74/417652774.db2.gz PYNRIIDZMWIAQE-AWEZNQCLSA-N 0 0 314.313 0.286 10 0 DCAERN CCc1noc2ncc(C(=O)N(C)Cc3nnnn3C)cc12 ZINC000532068802 417656315 /nfs/dbraw/zinc/65/63/15/417656315.db2.gz CYUJKKKIARTCOT-UHFFFAOYSA-N 0 0 301.310 0.581 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](C)OC[C@H]2CCCO2)C1 ZINC000532120281 417661056 /nfs/dbraw/zinc/66/10/56/417661056.db2.gz FWSPYSFFNQNYQD-RWMBFGLXSA-N 0 0 313.398 0.491 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000532268052 417670514 /nfs/dbraw/zinc/67/05/14/417670514.db2.gz PYBJWSVQTVWRIB-ZQDZILKHSA-N 0 0 317.451 0.749 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000629216012 417759194 /nfs/dbraw/zinc/75/91/94/417759194.db2.gz DPARDKMJLBKDNP-BETUJISGSA-N 0 0 304.346 0.990 10 0 DCAERN O=C(COc1cccc(Cl)c1)NC[C@H](O)Cn1ccnn1 ZINC000458126163 417723067 /nfs/dbraw/zinc/72/30/67/417723067.db2.gz LGMWRNXLJJZTCV-NSHDSACASA-N 0 0 310.741 0.488 10 0 DCAERN C[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458148694 417725560 /nfs/dbraw/zinc/72/55/60/417725560.db2.gz TZMQBGOEFQUUAZ-SMDDNHRTSA-N 0 0 306.341 0.773 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000629070475 417742096 /nfs/dbraw/zinc/74/20/96/417742096.db2.gz VJDCNWDCRRDKTK-GRYCIOLGSA-N 0 0 304.412 0.078 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@H]1c1cn[nH]n1 ZINC000657144879 417824080 /nfs/dbraw/zinc/82/40/80/417824080.db2.gz WSDBWCMZLDMVNJ-GXSJLCMTSA-N 0 0 302.400 0.595 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H]1CNC(=O)C1)c2=O ZINC000450455413 287451271 /nfs/dbraw/zinc/45/12/71/287451271.db2.gz UXAAPBAHRLPULK-QMMMGPOBSA-N 0 0 301.302 0.155 10 0 DCAERN CCN1C[C@@H](NC(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1=O ZINC000453006686 287490772 /nfs/dbraw/zinc/49/07/72/287490772.db2.gz ZTTXKNNJDVVDGX-NSHDSACASA-N 0 0 306.366 0.558 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000192990200 545929471 /nfs/dbraw/zinc/92/94/71/545929471.db2.gz FAKMAUODRYETPE-KBPBESRZSA-N 0 0 303.362 0.730 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnn1C(C)C ZINC000488310218 287549178 /nfs/dbraw/zinc/54/91/78/287549178.db2.gz GRFUFOUBIRZLAT-GHMZBOCLSA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccn1 ZINC000492210912 287571344 /nfs/dbraw/zinc/57/13/44/287571344.db2.gz PNVMLYRLLCNNSM-WDEREUQCSA-N 0 0 322.365 0.337 10 0 DCAERN COc1ccc(NC(=O)CCCS(C)(=O)=O)cc1CO ZINC000494801947 287581028 /nfs/dbraw/zinc/58/10/28/287581028.db2.gz WYSGIQACGMDAPY-UHFFFAOYSA-N 0 0 301.364 0.951 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CCN(C2CC2)CC1 ZINC000299515266 229172042 /nfs/dbraw/zinc/17/20/42/229172042.db2.gz VRARPOCIPLTJLM-UHFFFAOYSA-N 0 0 305.353 0.862 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H]1COc2ccccc2C1 ZINC000299612919 229261189 /nfs/dbraw/zinc/26/11/89/229261189.db2.gz IABWFCJTQLZEFY-YPMHNXCESA-N 0 0 301.350 0.970 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3[nH]c(C)cc3C)CC[C@@H]21 ZINC000299743395 229382324 /nfs/dbraw/zinc/38/23/24/229382324.db2.gz KVPLIPAMALELGL-OLZOCXBDSA-N 0 0 320.393 0.886 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(c3nc(C4CC4)ns3)C2)n1 ZINC000299739398 229371539 /nfs/dbraw/zinc/37/15/39/229371539.db2.gz NYVSHJDBYIWCGY-SECBINFHSA-N 0 0 319.394 0.947 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN1CC(=O)NC1=O ZINC000111613203 261108635 /nfs/dbraw/zinc/10/86/35/261108635.db2.gz XUWVMHGCMNFOKZ-NSHDSACASA-N 0 0 319.365 0.252 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H]3CCOC3)CCO2)n1 ZINC000179164612 261112235 /nfs/dbraw/zinc/11/22/35/261112235.db2.gz QVBRFAUZELAVPF-KBPBESRZSA-N 0 0 308.382 0.699 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCC2(CO)COC2)ccc1C ZINC000180633022 261113860 /nfs/dbraw/zinc/11/38/60/261113860.db2.gz ZDEMDZUFSTZKDG-UHFFFAOYSA-N 0 0 306.362 0.621 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCc2ncn(C)n2)ccc1C ZINC000180648571 261114091 /nfs/dbraw/zinc/11/40/91/261114091.db2.gz AYQUOTVBODGPSS-UHFFFAOYSA-N 0 0 301.350 0.941 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC[C@@H]1C ZINC000187833725 261125052 /nfs/dbraw/zinc/12/50/52/261125052.db2.gz SOTFWECTSBODOF-CMPLNLGQSA-N 0 0 319.365 0.013 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)NCc2cc(C(N)=O)co2)c1 ZINC000188245212 261125707 /nfs/dbraw/zinc/12/57/07/261125707.db2.gz JCIPBKBCSJKMIW-UHFFFAOYSA-N 0 0 312.351 0.634 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000188432242 261127642 /nfs/dbraw/zinc/12/76/42/261127642.db2.gz MHVTZOMPBLUVNC-VIFPVBQESA-N 0 0 319.390 0.846 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)[C@@H]1CCCN1c1nccs1 ZINC000188517584 261128293 /nfs/dbraw/zinc/12/82/93/261128293.db2.gz SPLMDMAESFEQMS-MNOVXSKESA-N 0 0 308.407 0.801 10 0 DCAERN CO[C@H]1CN(CC(=O)NC(=O)NCc2ccco2)CC[C@H]1C ZINC000189315545 261131424 /nfs/dbraw/zinc/13/14/24/261131424.db2.gz UKUDPIZAHJCWBG-YPMHNXCESA-N 0 0 309.366 0.962 10 0 DCAERN NC(=O)NC(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000189348049 261132012 /nfs/dbraw/zinc/13/20/12/261132012.db2.gz JOOJAADRGLDMCF-UHFFFAOYSA-N 0 0 310.253 0.674 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)s1 ZINC000194230068 261145179 /nfs/dbraw/zinc/14/51/79/261145179.db2.gz ONQOYAIYNCEHLW-UFBFGSQYSA-N 0 0 309.391 0.639 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000234609328 261154685 /nfs/dbraw/zinc/15/46/85/261154685.db2.gz ATVTYXJKKFKYOD-WHOHXGKFSA-N 0 0 305.396 0.767 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC(C)(O)CC1 ZINC000234604122 261155069 /nfs/dbraw/zinc/15/50/69/261155069.db2.gz JSBNZFHJZOVCKL-GHMZBOCLSA-N 0 0 305.396 0.505 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)nn21 ZINC000320047847 261177398 /nfs/dbraw/zinc/17/73/98/261177398.db2.gz VAJPQFGEJPDWDC-LLVKDONJSA-N 0 0 315.255 0.572 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)ccc1F ZINC000354357448 261207897 /nfs/dbraw/zinc/20/78/97/261207897.db2.gz KYNNDXCBLZRHKN-UHFFFAOYSA-N 0 0 307.281 0.225 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000357905830 261599049 /nfs/dbraw/zinc/59/90/49/261599049.db2.gz DGYBKDILXXGNAV-ZDUSSCGKSA-N 0 0 317.389 0.425 10 0 DCAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000360668938 261860286 /nfs/dbraw/zinc/86/02/86/261860286.db2.gz ATDNZAIXLTYTSZ-MJFSBKNWSA-N 0 0 324.421 0.416 10 0 DCAERN CC(=O)NCCCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361707221 261952722 /nfs/dbraw/zinc/95/27/22/261952722.db2.gz UXUYHCRPEQNLOD-UHFFFAOYSA-N 0 0 309.370 0.124 10 0 DCAERN COC[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1C(C)C)OC ZINC000361907843 261975471 /nfs/dbraw/zinc/97/54/71/261975471.db2.gz QQJLZLIFOBSNOM-SNVBAGLBSA-N 0 0 312.370 0.260 10 0 DCAERN CC[C@@H](NC(=O)N1CCOCC[C@H]1C)C(=O)N1CCOCC1 ZINC000362254481 262015312 /nfs/dbraw/zinc/01/53/12/262015312.db2.gz GWHGDVRHUXJYJE-CHWSQXEVSA-N 0 0 313.398 0.444 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)C[C@H]2CCCC(=O)N2)no1 ZINC000362319691 262022752 /nfs/dbraw/zinc/02/27/52/262022752.db2.gz ZCMAHNYUDGEYEP-SECBINFHSA-N 0 0 323.349 0.871 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000362422126 262033629 /nfs/dbraw/zinc/03/36/29/262033629.db2.gz JOWASZDSIHVRLE-INIZCTEOSA-N 0 0 305.330 0.398 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C)n1 ZINC000362462360 262037718 /nfs/dbraw/zinc/03/77/18/262037718.db2.gz BSQWKSUHTLRLLE-QWRGUYRKSA-N 0 0 322.365 0.968 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000362477389 262039671 /nfs/dbraw/zinc/03/96/71/262039671.db2.gz UBDLNJNLHFAXGV-YUTCNCBUSA-N 0 0 317.389 0.965 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)Cc1cccc(O)c1 ZINC000362475941 262039897 /nfs/dbraw/zinc/03/98/97/262039897.db2.gz DDLGMZAREFILCI-HUUCEWRRSA-N 0 0 309.362 0.871 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000362558626 262046613 /nfs/dbraw/zinc/04/66/13/262046613.db2.gz UYYIDUNXRGZYQN-SECBINFHSA-N 0 0 300.318 0.871 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1nc(C)cc(OC)n1 ZINC000362668323 262058340 /nfs/dbraw/zinc/05/83/40/262058340.db2.gz RUZVBJNFWPNXPG-VHSXEESVSA-N 0 0 310.354 0.662 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)c2cn(C)c(=O)[nH]c2=O)c1 ZINC000362706479 262062652 /nfs/dbraw/zinc/06/26/52/262062652.db2.gz DIKFAUCDCXMBKP-UHFFFAOYSA-N 0 0 316.317 0.721 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C[C@H]1OC ZINC000362789210 262072830 /nfs/dbraw/zinc/07/28/30/262072830.db2.gz HSXFZAYZZOOBSC-ZIAGYGMSSA-N 0 0 320.349 0.714 10 0 DCAERN O=C(NC[C@H](O)C1CC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000362961048 262089823 /nfs/dbraw/zinc/08/98/23/262089823.db2.gz CNIHPVWYNNJEFZ-STQMWFEESA-N 0 0 305.382 0.516 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363812406 262132197 /nfs/dbraw/zinc/13/21/97/262132197.db2.gz DDJLJKLEWPZIOR-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000370473408 262146339 /nfs/dbraw/zinc/14/63/39/262146339.db2.gz RISNDNAFMDWMRU-UMVBOHGHSA-N 0 0 314.451 0.754 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(F)cn2)cn1 ZINC000358803628 271076518 /nfs/dbraw/zinc/07/65/18/271076518.db2.gz SHDCYKXEPBWEMZ-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCN(C(C)=O)C[C@@H]2C)s1 ZINC000359187803 271103544 /nfs/dbraw/zinc/10/35/44/271103544.db2.gz DBCVYXGGWJWMFY-VIFPVBQESA-N 0 0 317.436 0.947 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)NCCc2cccc(OC)n2)CCO1 ZINC000359237808 271111044 /nfs/dbraw/zinc/11/10/44/271111044.db2.gz MQKXPVQFXCRHDT-CYBMUJFWSA-N 0 0 321.377 0.386 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H]1O ZINC000359393304 271114083 /nfs/dbraw/zinc/11/40/83/271114083.db2.gz WIFBFTIWZWLDRB-WCQYABFASA-N 0 0 318.377 0.460 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)[C@@H](C)N2CCOCC2)no1 ZINC000359490460 271122232 /nfs/dbraw/zinc/12/22/32/271122232.db2.gz AZXRLPGIVNSGIB-WDEREUQCSA-N 0 0 312.370 0.504 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399062639 271219213 /nfs/dbraw/zinc/21/92/13/271219213.db2.gz JNMBGDJQZAXEGH-LPEHRKFASA-N 0 0 319.814 0.855 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000443270754 271705498 /nfs/dbraw/zinc/70/54/98/271705498.db2.gz NTJQRNRPSFLXEE-UHFFFAOYSA-N 0 0 323.324 0.490 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@](C)(OC)C2CC2)CC12COC2 ZINC000452226154 271911895 /nfs/dbraw/zinc/91/18/95/271911895.db2.gz RHGFAZVGKUDASK-WFASDCNBSA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnc(C)nc2C)CC12COC2 ZINC000452267125 271913314 /nfs/dbraw/zinc/91/33/14/271913314.db2.gz UWOHOLUXIFNYSQ-CYBMUJFWSA-N 0 0 319.361 0.745 10 0 DCAERN Cc1cccc(C)c1NCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458124916 271942682 /nfs/dbraw/zinc/94/26/82/271942682.db2.gz AWOPPCQTCMQLSQ-CYBMUJFWSA-N 0 0 303.366 0.484 10 0 DCAERN CC[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1=O)C(=O)NC ZINC000458379353 271952864 /nfs/dbraw/zinc/95/28/64/271952864.db2.gz YEOWAOHAXSZZTE-OLZOCXBDSA-N 0 0 318.377 0.616 10 0 DCAERN CS[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)C(C)(C)C ZINC000458631771 271966103 /nfs/dbraw/zinc/96/61/03/271966103.db2.gz AYNFYXUYYJVPDT-GHMZBOCLSA-N 0 0 315.443 0.716 10 0 DCAERN CSc1cccc(NC(=O)NC[C@H](O)Cn2ccnn2)n1 ZINC000459564405 272000934 /nfs/dbraw/zinc/00/09/34/272000934.db2.gz FEPPQDMDDZTKHZ-VIFPVBQESA-N 0 0 308.367 0.578 10 0 DCAERN C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459839675 272015487 /nfs/dbraw/zinc/01/54/87/272015487.db2.gz XCMIHISFQHCBMZ-MLGOLLRUSA-N 0 0 307.394 0.516 10 0 DCAERN COc1cc(C(=O)N[C@H]2CC[C@@H](OC)C2)ccc1OCC(N)=O ZINC000471668099 272029183 /nfs/dbraw/zinc/02/91/83/272029183.db2.gz INASFMOLZNJJSE-NWDGAFQWSA-N 0 0 322.361 0.857 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CC[C@H](OC)C2)C1=O ZINC000471675199 272030013 /nfs/dbraw/zinc/03/00/13/272030013.db2.gz BHFUBSZBIKZAHW-QWRGUYRKSA-N 0 0 311.382 0.781 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000471672800 272030048 /nfs/dbraw/zinc/03/00/48/272030048.db2.gz YSEGRJYRYHFDTC-NEPJUHHUSA-N 0 0 322.427 0.015 10 0 DCAERN COC(=O)c1cc(NS(=O)(=O)N2CCC[C@@H]2C)cn1C ZINC000471960979 272034128 /nfs/dbraw/zinc/03/41/28/272034128.db2.gz NFXBSMSIGCMOSF-VIFPVBQESA-N 0 0 301.368 0.953 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCCO1 ZINC000487147047 272039177 /nfs/dbraw/zinc/03/91/77/272039177.db2.gz DTMSRDTZLVOORB-WOPDTQHZSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccco1 ZINC000487375031 272040893 /nfs/dbraw/zinc/04/08/93/272040893.db2.gz YOTHPPYNZCEXQP-DTWKUNHWSA-N 0 0 318.351 0.014 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H](CNC(N)=O)C2)[nH]n1 ZINC000487547257 272041430 /nfs/dbraw/zinc/04/14/30/272041430.db2.gz FUQNYSFGJHOXHX-JQWIXIFHSA-N 0 0 322.413 0.739 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncn1 ZINC000488617057 272046352 /nfs/dbraw/zinc/04/63/52/272046352.db2.gz SGMDAODQKKRJSK-DTWKUNHWSA-N 0 0 309.326 0.054 10 0 DCAERN CC1(CNC(=O)NCCCc2nnc3ccccn32)COC1 ZINC000489485043 272062993 /nfs/dbraw/zinc/06/29/93/272062993.db2.gz SLSLHODIYJHLAU-UHFFFAOYSA-N 0 0 303.366 0.998 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)n(C)n1 ZINC000490945397 272084638 /nfs/dbraw/zinc/08/46/38/272084638.db2.gz SJRWXHITOWLWGM-UHFFFAOYSA-N 0 0 316.365 0.796 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CC=CCC1 ZINC000495234440 272241956 /nfs/dbraw/zinc/24/19/56/272241956.db2.gz UIGBHMQJIFKWRE-SRVKXCTJSA-N 0 0 311.382 0.851 10 0 DCAERN CCCN(C(=O)c1cn2cccnc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000521273127 272531631 /nfs/dbraw/zinc/53/16/31/272531631.db2.gz VGHIJTAXWOSNPO-LLVKDONJSA-N 0 0 322.390 0.769 10 0 DCAERN Cc1nnc2n1C[C@@H](CNC(=O)c1cn3cccnc3n1)CC2 ZINC000522632546 272551944 /nfs/dbraw/zinc/55/19/44/272551944.db2.gz DESZRWMCYQFPDI-LLVKDONJSA-N 0 0 311.349 0.622 10 0 DCAERN CC1(C)C[C@@H](C(=O)N2CC[C@H](S(N)(=O)=O)C2)C(C)(C)O1 ZINC000528536012 272648868 /nfs/dbraw/zinc/64/88/68/272648868.db2.gz VLSJLFURUYXKQO-UWVGGRQHSA-N 0 0 304.412 0.470 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)O1 ZINC000408320070 287664782 /nfs/dbraw/zinc/66/47/82/287664782.db2.gz JRCVTPLNWSTZAF-BREBYQMCSA-N 0 0 306.366 0.782 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2c(c1)nnn2C ZINC000104276945 287670757 /nfs/dbraw/zinc/67/07/57/287670757.db2.gz AFRWWLSQEVIFHW-MWLCHTKSSA-N 0 0 301.350 0.694 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](CO)c1ccccc1)S(C)(=O)=O ZINC000533640933 287799433 /nfs/dbraw/zinc/79/94/33/287799433.db2.gz HWVXPBPKERMBJE-WCQYABFASA-N 0 0 314.407 0.495 10 0 DCAERN COc1ccc(NC(=O)CCNS(C)(=O)=O)cc1CO ZINC000534995474 287822748 /nfs/dbraw/zinc/82/27/48/287822748.db2.gz WJJGDAYFBDRLRE-UHFFFAOYSA-N 0 0 302.352 0.065 10 0 DCAERN Cn1ccc(CNC(=O)CSCC(=O)N2CCCCC2)n1 ZINC000536564512 287857566 /nfs/dbraw/zinc/85/75/66/287857566.db2.gz RSVNNLAPKSMXMR-UHFFFAOYSA-N 0 0 310.423 0.782 10 0 DCAERN O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cn2cccnc2n1 ZINC000541170027 287917088 /nfs/dbraw/zinc/91/70/88/287917088.db2.gz FXIDUIGQJNYNGO-CYBMUJFWSA-N 0 0 307.313 0.875 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn4ccnc4s3)C[C@H]21 ZINC000328892907 277129186 /nfs/dbraw/zinc/12/91/86/277129186.db2.gz UFBGVAVOFMCTHD-MNOVXSKESA-N 0 0 306.391 0.941 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000408135843 277235408 /nfs/dbraw/zinc/23/54/08/277235408.db2.gz ZFXSBJVTRHYZLG-IJLUTSLNSA-N 0 0 303.424 0.677 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H]3CCC[C@H]32)nn1 ZINC000329614782 277304034 /nfs/dbraw/zinc/30/40/34/277304034.db2.gz DAHSYSBRYYIMLO-AAVRWANBSA-N 0 0 322.365 0.258 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C[C@H]1C ZINC000408321903 277350442 /nfs/dbraw/zinc/35/04/42/277350442.db2.gz SDDTWSDYLDOIJJ-MGPQQGTHSA-N 0 0 311.426 0.280 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000544672313 287979940 /nfs/dbraw/zinc/97/99/40/287979940.db2.gz YQZAYTBKKHTQHT-NEPJUHHUSA-N 0 0 305.396 0.911 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)N1CCCC1=O ZINC000247247085 277871099 /nfs/dbraw/zinc/87/10/99/277871099.db2.gz ZQAZHCBPWWEQPQ-YRGRVCCFSA-N 0 0 309.410 0.794 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000268714554 277963681 /nfs/dbraw/zinc/96/36/81/277963681.db2.gz ITDUSQHTQDUXFG-CHWSQXEVSA-N 0 0 310.350 0.409 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)C1CC(O)C1 ZINC000353341061 277968506 /nfs/dbraw/zinc/96/85/06/277968506.db2.gz XLFVFNRUPZGCKC-UHFFFAOYSA-N 0 0 319.361 0.590 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000193658383 278004153 /nfs/dbraw/zinc/00/41/53/278004153.db2.gz RGEFAUHIYRRXFC-UHFFFAOYSA-N 0 0 301.350 0.825 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccc(-c3ccccn3)[nH]c2=O)C1 ZINC000545958002 288007820 /nfs/dbraw/zinc/00/78/20/288007820.db2.gz ZJWGVYITCSSICB-UHFFFAOYSA-N 0 0 312.329 0.667 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CC1CCC1)[C@H](C)CO ZINC000332045111 278064341 /nfs/dbraw/zinc/06/43/41/278064341.db2.gz RSMVXDOVHLOASZ-MFKMUULPSA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000407989950 278066967 /nfs/dbraw/zinc/06/69/67/278066967.db2.gz MDEAKUNFJAAKRA-YPMHNXCESA-N 0 0 308.407 0.835 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCN(C)C1=O)C2 ZINC000163832311 278074459 /nfs/dbraw/zinc/07/44/59/278074459.db2.gz DVALXBHNGAWCIP-LLVKDONJSA-N 0 0 319.409 0.842 10 0 DCAERN CC(=O)NC1(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CCCCC1 ZINC000152408266 278081837 /nfs/dbraw/zinc/08/18/37/278081837.db2.gz KJCMMTFPKRDBNS-KBPBESRZSA-N 0 0 309.410 0.367 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000546141900 288016254 /nfs/dbraw/zinc/01/62/54/288016254.db2.gz DJWYRTBMUBPEMX-RKDXNWHRSA-N 0 0 323.378 0.458 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)CC(=O)N1C ZINC000407968651 288033137 /nfs/dbraw/zinc/03/31/37/288033137.db2.gz GUVLMBWNPLNOQL-LLVKDONJSA-N 0 0 303.366 0.380 10 0 DCAERN Cn1nccc1NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547522993 288054905 /nfs/dbraw/zinc/05/49/05/288054905.db2.gz GIJVNRNHSOHXFU-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000408415263 278633724 /nfs/dbraw/zinc/63/37/24/278633724.db2.gz JIRDWBXOXSUYFZ-CQSZACIVSA-N 0 0 320.455 0.762 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000547737869 288074233 /nfs/dbraw/zinc/07/42/33/288074233.db2.gz REJBEYSRWRBXJQ-LRDDRELGSA-N 0 0 316.361 0.516 10 0 DCAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)[C@H](C)[C@H](C)O1 ZINC000408443684 278811742 /nfs/dbraw/zinc/81/17/42/278811742.db2.gz OQBGQKRBKSMDKB-HLTSFMKQSA-N 0 0 307.354 0.375 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000285839185 279007996 /nfs/dbraw/zinc/00/79/96/279007996.db2.gz ARBDMSJSJJYFFV-ZWNOBZJWSA-N 0 0 305.382 0.283 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[C@@H](OC)C3)CCN2C1=O ZINC000376997110 279250325 /nfs/dbraw/zinc/25/03/25/279250325.db2.gz KHDKDHNBSJQSIM-UTUOFQBUSA-N 0 0 324.381 0.232 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc2ncnn21 ZINC000548300456 288129880 /nfs/dbraw/zinc/12/98/80/288129880.db2.gz HIYXWDCAIFPOBM-NSHDSACASA-N 0 0 301.350 0.812 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@H](C(N)=O)O1 ZINC000246283849 288138279 /nfs/dbraw/zinc/13/82/79/288138279.db2.gz BAJWUXBRWSAMCQ-CBBWQLFWSA-N 0 0 323.437 0.742 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCC(=O)[C@H](C)C1)N1CCCS1(=O)=O ZINC000408387856 279758990 /nfs/dbraw/zinc/75/89/90/279758990.db2.gz SSDULMGFNJKPJQ-YPMHNXCESA-N 0 0 316.423 0.484 10 0 DCAERN Cc1cnc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)s1 ZINC000548717441 288170177 /nfs/dbraw/zinc/17/01/77/288170177.db2.gz TZIHXKAAVOZVSM-CQSZACIVSA-N 0 0 307.375 0.681 10 0 DCAERN COC(=O)CCC1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000548719429 288170582 /nfs/dbraw/zinc/17/05/82/288170582.db2.gz DHNONTNTIQENKA-UHFFFAOYSA-N 0 0 312.366 0.037 10 0 DCAERN Cn1cc(C[C@H]2CCN(C(=O)COc3cnn(C)c3)C2)cn1 ZINC000548763891 288174470 /nfs/dbraw/zinc/17/44/70/288174470.db2.gz CNRCNZDDVPOCFS-GFCCVEGCSA-N 0 0 303.366 0.624 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000333959782 280052363 /nfs/dbraw/zinc/05/23/63/280052363.db2.gz KKBGDNAAJQWFLZ-SGMGOOAPSA-N 0 0 316.423 0.773 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1CCC(=O)N1CCN(C)CC1 ZINC000549136938 288193052 /nfs/dbraw/zinc/19/30/52/288193052.db2.gz XQDMEFFZGGJAKG-AWEZNQCLSA-N 0 0 311.426 0.567 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCCc3nn(C)cc32)C[C@H](CO)O1 ZINC000549209811 288194861 /nfs/dbraw/zinc/19/48/61/288194861.db2.gz ATETVOVAHZUUCH-WZRBSPASSA-N 0 0 308.382 0.589 10 0 DCAERN O=C(c1ccc2c(n1)CCCC2)N1CCN2C(=O)NC[C@H]2C1 ZINC000333416201 280198553 /nfs/dbraw/zinc/19/85/53/280198553.db2.gz FDJBSFIBVGJUHA-LBPRGKRZSA-N 0 0 300.362 0.810 10 0 DCAERN O=C1CO[C@@H]2CN(c3ncccn3)C[C@H]2N1Cc1cccnc1 ZINC000096081600 280267036 /nfs/dbraw/zinc/26/70/36/280267036.db2.gz MWLVEJJQBPTBMR-ZIAGYGMSSA-N 0 0 311.345 0.488 10 0 DCAERN CC(C)[C@H]1N(S(=O)(=O)N2CCOCC2)C[C@@]12CCCO2 ZINC000328830563 280476449 /nfs/dbraw/zinc/47/64/49/280476449.db2.gz KNPLBDMWTWJZJV-OLZOCXBDSA-N 0 0 304.412 0.453 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)C1 ZINC000552405756 288274468 /nfs/dbraw/zinc/27/44/68/288274468.db2.gz YINMAONJRDTFNZ-NSHDSACASA-N 0 0 317.349 0.313 10 0 DCAERN COCc1cc(N2CCC(CNS(C)(=O)=O)CC2)ncn1 ZINC000553604428 288303723 /nfs/dbraw/zinc/30/37/23/288303723.db2.gz MXDXPBBXYBWKCN-UHFFFAOYSA-N 0 0 314.411 0.389 10 0 DCAERN Cc1cc(CCNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)on1 ZINC000553926422 288310675 /nfs/dbraw/zinc/31/06/75/288310675.db2.gz PXHWNWVZXPKZLI-OLZOCXBDSA-N 0 0 310.398 0.934 10 0 DCAERN Cn1cc(OCC(=O)Nc2cccnc2N2CCOCC2)cn1 ZINC000554566345 288329314 /nfs/dbraw/zinc/32/93/14/288329314.db2.gz GOQRAZPKICBCCQ-UHFFFAOYSA-N 0 0 317.349 0.669 10 0 DCAERN O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CCN2CCOC[C@@H]2C1 ZINC000555663202 288359913 /nfs/dbraw/zinc/35/99/13/288359913.db2.gz AKRJPTHGNNUYNK-KGLIPLIRSA-N 0 0 317.389 0.585 10 0 DCAERN O=C(NCCCF)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556525161 288378522 /nfs/dbraw/zinc/37/85/22/288378522.db2.gz HGHFACCUBYITJC-UHFFFAOYSA-N 0 0 311.288 0.526 10 0 DCAERN Cc1ncc(CNC(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)s1 ZINC000556667416 288382186 /nfs/dbraw/zinc/38/21/86/288382186.db2.gz CQCYVIYPGZHBMS-ONGXEEELSA-N 0 0 311.407 0.687 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1C(N)=O ZINC000556726384 288387967 /nfs/dbraw/zinc/38/79/67/288387967.db2.gz JPIWNXNQNBBNLI-RKDXNWHRSA-N 0 0 308.407 0.624 10 0 DCAERN CN1CCOC[C@H]1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000560360527 288494858 /nfs/dbraw/zinc/49/48/58/288494858.db2.gz XBHCVGADHNYQCK-STQMWFEESA-N 0 0 306.362 0.663 10 0 DCAERN O=C(NC[C@H]1COCCO1)Nc1ccc2c(c1F)CCNC2=O ZINC000560385176 288498038 /nfs/dbraw/zinc/49/80/38/288498038.db2.gz NNVNCTQSAYAULO-VIFPVBQESA-N 0 0 323.324 0.649 10 0 DCAERN Cc1onc(-c2cccnc2)c1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000560616389 288513383 /nfs/dbraw/zinc/51/33/83/288513383.db2.gz FCNQBAWKLDQVCC-LLVKDONJSA-N 0 0 315.333 0.928 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000560656607 288515472 /nfs/dbraw/zinc/51/54/72/288515472.db2.gz BITDSDPEVAGQKW-UHFFFAOYSA-N 0 0 322.390 0.954 10 0 DCAERN CN(CCCO)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000565460491 288853586 /nfs/dbraw/zinc/85/35/86/288853586.db2.gz UQANJPZNUZZRSM-UHFFFAOYSA-N 0 0 315.395 0.582 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NCCOCC1CCC1 ZINC000565513790 288858417 /nfs/dbraw/zinc/85/84/17/288858417.db2.gz JAJTYRNDTKCQBU-UHFFFAOYSA-N 0 0 304.412 0.345 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1cccnc1 ZINC000329965053 289834039 /nfs/dbraw/zinc/83/40/39/289834039.db2.gz UFRLOEXOPWXLFB-FQLMCAECSA-N 0 0 315.373 0.991 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@H](c2ccccc2)C1 ZINC000248982447 290021417 /nfs/dbraw/zinc/02/14/17/290021417.db2.gz VWSYHSHETTXCLT-KKUMJFAQSA-N 0 0 317.389 0.535 10 0 DCAERN CN1CCN(CC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1=O ZINC000408438040 290039811 /nfs/dbraw/zinc/03/98/11/290039811.db2.gz DVSZOGWRCHRCGH-QWHCGFSZSA-N 0 0 311.426 0.016 10 0 DCAERN CN1CCN(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000408218204 290040809 /nfs/dbraw/zinc/04/08/09/290040809.db2.gz PWNLPMRHWIHVCH-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H]1C(=O)NCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000104689739 290311088 /nfs/dbraw/zinc/31/10/88/290311088.db2.gz JKZIENPETSEXBA-UWVGGRQHSA-N 0 0 307.316 0.608 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329155062 290378429 /nfs/dbraw/zinc/37/84/29/290378429.db2.gz CHCAUPWAUGIBRR-RWMBFGLXSA-N 0 0 300.424 0.506 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000408040754 290571204 /nfs/dbraw/zinc/57/12/04/290571204.db2.gz CXZNVFQHFJIHGQ-VWYCJHECSA-N 0 0 306.370 0.327 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408027259 292931174 /nfs/dbraw/zinc/93/11/74/292931174.db2.gz MJMUPRGMQRNAMJ-QNWHQSFQSA-N 0 0 322.427 0.076 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000175855060 293656289 /nfs/dbraw/zinc/65/62/89/293656289.db2.gz FLNHYBASGGVNRV-DGCLKSJQSA-N 0 0 307.398 0.842 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C)[C@H]2CO)[C@H](C)CO1 ZINC000408091982 297049326 /nfs/dbraw/zinc/04/93/26/297049326.db2.gz WKIJYHWLZDMKKT-UMSGYPCISA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@](C)(O)CC2)C[C@@H](C)O1 ZINC000300325809 297050010 /nfs/dbraw/zinc/05/00/10/297050010.db2.gz MONYGXNOESKRDP-UPJWGTAASA-N 0 0 306.428 0.577 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@H]2CCCOC2)CC2(CCOCC2)O1 ZINC000333317046 297060659 /nfs/dbraw/zinc/06/06/59/297060659.db2.gz OTBWZWJYPUHUJZ-OLZOCXBDSA-N 0 0 319.423 0.765 10 0 DCAERN CO[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)c1cnn(C)c1 ZINC000408020685 294186347 /nfs/dbraw/zinc/18/63/47/294186347.db2.gz FCLFMHNIUKGWAC-RDBSUJKOSA-N 0 0 308.382 0.039 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1=O ZINC000408306677 294332799 /nfs/dbraw/zinc/33/27/99/294332799.db2.gz QUQKZQXHHNXIPQ-GFCCVEGCSA-N 0 0 304.268 0.915 10 0 DCAERN Cn1ncc(N2CCN(C3CC3)CC2)c(Br)c1=O ZINC000301221121 294537300 /nfs/dbraw/zinc/53/73/00/294537300.db2.gz BIPVSBJAZAIIPE-UHFFFAOYSA-N 0 0 313.199 0.827 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)N(C(C)=O)C1 ZINC000333732934 294644220 /nfs/dbraw/zinc/64/42/20/294644220.db2.gz QAEKWSJTPFUBAM-XQLPTFJDSA-N 0 0 310.394 0.792 10 0 DCAERN NC(=O)N1CCCN(c2ncncc2Br)CC1 ZINC000408291766 295063396 /nfs/dbraw/zinc/06/33/96/295063396.db2.gz AGJDCSWPRQGXHC-UHFFFAOYSA-N 0 0 300.160 0.830 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000091778804 295120558 /nfs/dbraw/zinc/12/05/58/295120558.db2.gz ZEDURMKPKOPAAB-JTQLQIEISA-N 0 0 307.331 0.729 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1sccc1Br ZINC000091783975 295121022 /nfs/dbraw/zinc/12/10/22/295121022.db2.gz BEMUBEGVLYARLB-ZETCQYMHSA-N 0 0 319.180 0.837 10 0 DCAERN NC(=O)c1cc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)ccn1 ZINC000374539878 295169832 /nfs/dbraw/zinc/16/98/32/295169832.db2.gz VBVUELAOXOYUOD-RISCZKNCSA-N 0 0 305.378 0.582 10 0 DCAERN Nc1nccnc1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000114690184 295371994 /nfs/dbraw/zinc/37/19/94/295371994.db2.gz SXBJHZQDVJYGFC-LBPRGKRZSA-N 0 0 305.382 0.386 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)c1nnn(C)c1C ZINC000261626641 295393786 /nfs/dbraw/zinc/39/37/86/295393786.db2.gz AQRHOWDBNMZBSA-ZDUSSCGKSA-N 0 0 315.377 0.919 10 0 DCAERN O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1nncs1 ZINC000246799932 295511173 /nfs/dbraw/zinc/51/11/73/295511173.db2.gz JASXXMUEVMLVCA-RKDXNWHRSA-N 0 0 300.409 0.683 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCOC[C@]12CCOC2 ZINC000195187313 295560121 /nfs/dbraw/zinc/56/01/21/295560121.db2.gz CNIIKFWPRGANCG-MRXNPFEDSA-N 0 0 317.345 0.348 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000040634872 297146053 /nfs/dbraw/zinc/14/60/53/297146053.db2.gz SBFRESSGXOFBCL-GHMZBOCLSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000375357839 297170381 /nfs/dbraw/zinc/17/03/81/297170381.db2.gz WFVZTUOOFYEMNI-DDHJBXDOSA-N 0 0 302.396 0.382 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000408320972 297388599 /nfs/dbraw/zinc/38/85/99/297388599.db2.gz NNXPASGGTIZALE-RFGFWPKPSA-N 0 0 316.467 0.998 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000185959365 297885885 /nfs/dbraw/zinc/88/58/85/297885885.db2.gz FECWRUMBTSZNAW-SKDRFNHKSA-N 0 0 307.316 0.880 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352093689 298121514 /nfs/dbraw/zinc/12/15/14/298121514.db2.gz SQLBGRWZNCWUQO-GRYCIOLGSA-N 0 0 312.414 0.014 10 0 DCAERN O=C1CN(S(=O)(=O)c2cnccc2C(F)(F)F)CCN1 ZINC000408428950 304640360 /nfs/dbraw/zinc/64/03/60/304640360.db2.gz HOSNQJHZLXTSSY-UHFFFAOYSA-N 0 0 309.269 0.221 10 0 DCAERN C[C@H]1CN=C(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200602 300320540 /nfs/dbraw/zinc/32/05/40/300320540.db2.gz COQBVFJWNJUGKB-RYUDHWBXSA-N 0 0 324.450 0.681 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333116266 300374831 /nfs/dbraw/zinc/37/48/31/300374831.db2.gz FWRUWAHBUPYJLC-USZNOCQGSA-N 0 0 307.437 0.624 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC(=O)NCC3(C)C)ccc2O1 ZINC000282094383 300542439 /nfs/dbraw/zinc/54/24/39/300542439.db2.gz SCYGJNHKVMAYEG-JTQLQIEISA-N 0 0 324.402 0.909 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1C(N)=O ZINC000285334412 300596607 /nfs/dbraw/zinc/59/66/07/300596607.db2.gz LQQAQMMRMIFCMH-RNCFNFMXSA-N 0 0 306.318 0.173 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1C ZINC000188181006 533694847 /nfs/dbraw/zinc/69/48/47/533694847.db2.gz KTLQHXDJMFDLFX-NWDGAFQWSA-N 0 0 309.414 0.560 10 0 DCAERN C[C@]12CCCN1C(=O)N([C@@H]1CCCN(S(C)(=O)=O)C1)C2=O ZINC000329387156 300869083 /nfs/dbraw/zinc/86/90/83/300869083.db2.gz SSVKGSXRDUOZFM-ZWNOBZJWSA-N 0 0 315.395 0.227 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000179686380 300960691 /nfs/dbraw/zinc/96/06/91/300960691.db2.gz ONBHXNWQKPKMLB-JTQLQIEISA-N 0 0 318.782 0.523 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128257510 304756483 /nfs/dbraw/zinc/75/64/83/304756483.db2.gz UMMYSDYPJOHJFT-QWHCGFSZSA-N 0 0 304.412 0.190 10 0 DCAERN Cc1cccc(C)c1C(=O)N1CCN2CCS(=O)(=O)C[C@H]2C1 ZINC000408522473 301967026 /nfs/dbraw/zinc/96/70/26/301967026.db2.gz JSQHAMHAZGGJBN-CQSZACIVSA-N 0 0 322.430 0.858 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CSC[C@H]3C(=O)N(C)C)c2n1 ZINC000072572927 302264469 /nfs/dbraw/zinc/26/44/69/302264469.db2.gz RVXAOZVOJCOZPD-NSHDSACASA-N 0 0 319.390 0.641 10 0 DCAERN Cc1cnc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c(O)c1 ZINC000408106990 302332418 /nfs/dbraw/zinc/33/24/18/302332418.db2.gz MPSJKWUPXSYMIA-GFCCVEGCSA-N 0 0 315.377 0.958 10 0 DCAERN Cc1nc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c(=O)[nH]c1C ZINC000159271126 302552807 /nfs/dbraw/zinc/55/28/07/302552807.db2.gz PRTHSGCNEZNEAE-WDEREUQCSA-N 0 0 309.391 0.733 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC000176905969 302742052 /nfs/dbraw/zinc/74/20/52/302742052.db2.gz PMKAOFUFTHRHGL-NXEZZACHSA-N 0 0 315.439 0.765 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959564 302751375 /nfs/dbraw/zinc/75/13/75/302751375.db2.gz VCDSFPSVTVSRNY-SNVBAGLBSA-N 0 0 304.394 0.974 10 0 DCAERN Cn1cnnc1[C@H]1CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000120342360 303037902 /nfs/dbraw/zinc/03/79/02/303037902.db2.gz JALOZPWRGHSYRH-SNVBAGLBSA-N 0 0 314.411 0.692 10 0 DCAERN Cn1nnc2c1nccc2C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000286007298 303105975 /nfs/dbraw/zinc/10/59/75/303105975.db2.gz RCTNTQRJNCSJBK-OAHLLOKOSA-N 0 0 317.349 0.385 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000245741659 303306653 /nfs/dbraw/zinc/30/66/53/303306653.db2.gz GFSTZXGIZPUWDT-GRDNDAEWSA-N 0 0 300.358 0.603 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)c1ncccc1Br ZINC000347251765 303336134 /nfs/dbraw/zinc/33/61/34/303336134.db2.gz HGAYTERZODFWSK-HTRCEHHLSA-N 0 0 316.130 0.882 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)COc1cnn(C)c1)CC2 ZINC000570782225 332815207 /nfs/dbraw/zinc/81/52/07/332815207.db2.gz IFJLYXVSRGUYJJ-NSHDSACASA-N 0 0 318.381 0.645 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000580111044 332944485 /nfs/dbraw/zinc/94/44/85/332944485.db2.gz OEJIKDWKGFMIFG-AAEUAGOBSA-N 0 0 308.382 0.764 10 0 DCAERN NC(=O)CCCCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000188810391 333055460 /nfs/dbraw/zinc/05/54/60/333055460.db2.gz YWSURVIOJKRAAL-LBPRGKRZSA-N 0 0 303.362 0.954 10 0 DCAERN C[C@@H](NC(=O)N1CC(CO)C1)c1ccc(-n2ccnn2)cc1 ZINC000189679551 333375472 /nfs/dbraw/zinc/37/54/72/333375472.db2.gz YCZPNSDPLRDWBQ-LLVKDONJSA-N 0 0 301.350 0.962 10 0 DCAERN COC[C@@](C)(O)CNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000576068979 341824005 /nfs/dbraw/zinc/82/40/05/341824005.db2.gz CXLYQZZJHCHOTR-ONGXEEELSA-N 0 0 324.303 0.720 10 0 DCAERN CCN1CCN(C(=O)C(=O)NC2CCC3(CC3)CC2)CC1=O ZINC000576374585 341843097 /nfs/dbraw/zinc/84/30/97/341843097.db2.gz LKAVEERSFDTSIJ-UHFFFAOYSA-N 0 0 307.394 0.516 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC)OCC ZINC000580636693 341889846 /nfs/dbraw/zinc/88/98/46/341889846.db2.gz CEEXHBPPTYWYRO-OUAUKWLOSA-N 0 0 302.371 0.374 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)[C@@H]3CCC(C)(C)O3)CC2)C1=O ZINC000577165294 341892710 /nfs/dbraw/zinc/89/27/10/341892710.db2.gz RWSDWAPCPGBPJB-JTQLQIEISA-N 0 0 309.366 0.487 10 0 DCAERN CCNc1ncc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000129124220 520363103 /nfs/dbraw/zinc/36/31/03/520363103.db2.gz ACXBPYJPEDBQAP-MRVPVSSYSA-N 0 0 303.409 0.834 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCS1 ZINC000191345699 533956297 /nfs/dbraw/zinc/95/62/97/533956297.db2.gz IXFBHOBZTJRWSW-SNVBAGLBSA-N 0 0 321.406 0.484 10 0 DCAERN C[C@@H]1OCCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@H]1C ZINC000167465738 534163036 /nfs/dbraw/zinc/16/30/36/534163036.db2.gz ISHRQBOAACDPEP-IUCAKERBSA-N 0 0 316.354 0.723 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)c2ccc3c(c2)CCC3)CCN1CCO ZINC000187301044 534298888 /nfs/dbraw/zinc/29/88/88/534298888.db2.gz VJVKSGLKYNGRQM-CYBMUJFWSA-N 0 0 316.401 0.883 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1snnc1C ZINC000488146383 517689635 /nfs/dbraw/zinc/68/96/35/517689635.db2.gz HBKGGMRGWSQOLA-SFYZADRCSA-N 0 0 314.367 0.033 10 0 DCAERN COCC(COC)NC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000455418683 518043119 /nfs/dbraw/zinc/04/31/19/518043119.db2.gz JBUBSLQDLILQQA-LLVKDONJSA-N 0 0 314.304 0.747 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@@](O)(C(F)(F)F)C1)nc2N ZINC000278160793 518195715 /nfs/dbraw/zinc/19/57/15/518195715.db2.gz CBJJMVWQCXWRFE-JTQLQIEISA-N 0 0 302.260 0.449 10 0 DCAERN CC(=O)[C@@H]1CC(C(=O)N2CC(CO)C2)=NN1c1ccccc1 ZINC000184211286 518207036 /nfs/dbraw/zinc/20/70/36/518207036.db2.gz WUUJFZWQIFCBFI-HNNXBMFYSA-N 0 0 301.346 0.661 10 0 DCAERN CC(C)(C)c1nnc(NC(=O)CN2CCNC(=O)CC2)s1 ZINC000137068420 519122740 /nfs/dbraw/zinc/12/27/40/519122740.db2.gz KVMKYOHRAGLVOS-UHFFFAOYSA-N 0 0 311.411 0.596 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCCNc2ccc(C)cn2)C1 ZINC000189828117 519647630 /nfs/dbraw/zinc/64/76/30/519647630.db2.gz DONRCOKNFVDYBT-UHFFFAOYSA-N 0 0 305.382 0.722 10 0 DCAERN CC(=O)NC1CN(C(=O)CN(CCc2ccccc2)C(C)=O)C1 ZINC000190479714 519647828 /nfs/dbraw/zinc/64/78/28/519647828.db2.gz KUAVTSROLAUJFO-UHFFFAOYSA-N 0 0 317.389 0.425 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCCN2CCc3ccccc32)C1 ZINC000189824025 519647952 /nfs/dbraw/zinc/64/79/52/519647952.db2.gz MBBPRQBGJXLYPD-UHFFFAOYSA-N 0 0 316.405 0.969 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000190060645 519648202 /nfs/dbraw/zinc/64/82/02/519648202.db2.gz FZYIQEQWKDDPIL-AWEZNQCLSA-N 0 0 316.361 0.322 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 ZINC000190518541 519649066 /nfs/dbraw/zinc/64/90/66/519649066.db2.gz ZZQHDGAAUXXMCD-UHFFFAOYSA-N 0 0 320.740 0.276 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1=O ZINC000267535754 519696647 /nfs/dbraw/zinc/69/66/47/519696647.db2.gz BEOOGHMNFLGSTR-TZMCWYRMSA-N 0 0 319.409 0.928 10 0 DCAERN CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)CO)N1CCCS1(=O)=O ZINC000245642515 519809797 /nfs/dbraw/zinc/80/97/97/519809797.db2.gz IAQXQQRCJVDTPR-IJLUTSLNSA-N 0 0 306.428 0.180 10 0 DCAERN CCCN1CCCN(C(=O)CNC(=O)c2cccnc2)CC1=O ZINC000188152475 519848554 /nfs/dbraw/zinc/84/85/54/519848554.db2.gz WEVWVKYGOCYDSU-UHFFFAOYSA-N 0 0 318.377 0.282 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)N[C@@H]2CCc3ccccc3C2)CCO1 ZINC000299568463 534459162 /nfs/dbraw/zinc/45/91/62/534459162.db2.gz NVZAWQKZRSFZFN-ZIAGYGMSSA-N 0 0 303.362 0.440 10 0 DCAERN CCOCCOCCN(C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000190248830 519994196 /nfs/dbraw/zinc/99/41/96/519994196.db2.gz CBKHCAXLFNXOGB-AWEZNQCLSA-N 0 0 324.425 0.819 10 0 DCAERN CCOC(=O)C1(O)CCN(c2nc(COC)ns2)CC1 ZINC000267407340 520471658 /nfs/dbraw/zinc/47/16/58/520471658.db2.gz QXOAILXOKBBABG-UHFFFAOYSA-N 0 0 301.368 0.579 10 0 DCAERN CCCC[C@@H](COC)NC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000153794321 521054197 /nfs/dbraw/zinc/05/41/97/521054197.db2.gz COXDZLJBVMWAJD-NSHDSACASA-N 0 0 311.386 0.956 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000249870762 521161910 /nfs/dbraw/zinc/16/19/10/521161910.db2.gz GCOLNGROQUEMPI-QJPTWQEYSA-N 0 0 300.424 0.965 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)c2ccccc21 ZINC000249093224 521668326 /nfs/dbraw/zinc/66/83/26/521668326.db2.gz LCAKZSXWWYPJBI-KBPBESRZSA-N 0 0 303.362 0.892 10 0 DCAERN CCNC(=O)NC(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190808919 521740943 /nfs/dbraw/zinc/74/09/43/521740943.db2.gz KMSLECQWSNZMKG-GFCCVEGCSA-N 0 0 309.370 0.122 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000245724177 521741486 /nfs/dbraw/zinc/74/14/86/521741486.db2.gz IAQRWCTYUDDFKO-GHMZBOCLSA-N 0 0 320.384 0.882 10 0 DCAERN Cc1cccc(C(=O)N2CCN3CCS(=O)(=O)C[C@H]3C2)c1C ZINC000408524500 534593634 /nfs/dbraw/zinc/59/36/34/534593634.db2.gz MICPNVYOROGZNE-CQSZACIVSA-N 0 0 322.430 0.858 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1Cc1nc(C2CC2)no1)N1CCOCC1 ZINC000299741792 534600135 /nfs/dbraw/zinc/60/01/35/534600135.db2.gz GDTHOTMRQSVOSP-NEPJUHHUSA-N 0 0 324.356 0.718 10 0 DCAERN COCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000190878251 522014011 /nfs/dbraw/zinc/01/40/11/522014011.db2.gz NCLABZZEMWUYGX-VXGBXAGGSA-N 0 0 308.378 0.947 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)s1 ZINC000190641651 522043818 /nfs/dbraw/zinc/04/38/18/522043818.db2.gz MXJJAIKVNPKCHP-SECBINFHSA-N 0 0 310.379 0.381 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000189948196 522123817 /nfs/dbraw/zinc/12/38/17/522123817.db2.gz ZCOFNGNSMQENDU-HIFRSBDPSA-N 0 0 322.409 0.322 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000189948248 522125066 /nfs/dbraw/zinc/12/50/66/522125066.db2.gz ZCOFNGNSMQENDU-DZGCQCFKSA-N 0 0 322.409 0.322 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC2(CCO)CC2)cc1 ZINC000157276928 522152497 /nfs/dbraw/zinc/15/24/97/522152497.db2.gz SESZYNPFWJTBTI-UHFFFAOYSA-N 0 0 313.375 0.914 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000131457129 522206390 /nfs/dbraw/zinc/20/63/90/522206390.db2.gz IQUIXCXSSBKTLO-TZMCWYRMSA-N 0 0 323.393 0.313 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](OC)C2)C1 ZINC000364988949 522233524 /nfs/dbraw/zinc/23/35/24/522233524.db2.gz XOSFHSVJMROPCZ-GRYCIOLGSA-N 0 0 319.427 0.277 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000155684314 522391640 /nfs/dbraw/zinc/39/16/40/522391640.db2.gz IXMSVQOVHYPPOR-BXUZGUMPSA-N 0 0 303.362 0.920 10 0 DCAERN CCc1ncsc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000133336469 522618664 /nfs/dbraw/zinc/61/86/64/522618664.db2.gz FFLWGADWKDZHDX-QMMMGPOBSA-N 0 0 303.409 0.469 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2nc(C3CC3)cs2)C1 ZINC000185676164 522757965 /nfs/dbraw/zinc/75/79/65/522757965.db2.gz BZYLBICALLAYAV-UHFFFAOYSA-N 0 0 324.406 0.677 10 0 DCAERN CC[C@H](O)CCNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000156828832 522804950 /nfs/dbraw/zinc/80/49/50/522804950.db2.gz BFJFWCHUWJSCAV-NSHDSACASA-N 0 0 300.380 0.486 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cccc(-n2cnnn2)c1 ZINC000182869063 522882056 /nfs/dbraw/zinc/88/20/56/522882056.db2.gz XCNNJUGEDWOQMY-AWEZNQCLSA-N 0 0 305.338 0.180 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)CC1 ZINC000189478386 522995780 /nfs/dbraw/zinc/99/57/80/522995780.db2.gz GRGRFRRXIZXVPT-GFCCVEGCSA-N 0 0 311.407 0.602 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 ZINC000189454761 522996640 /nfs/dbraw/zinc/99/66/40/522996640.db2.gz DXYUANCGCXOCKW-CQSZACIVSA-N 0 0 319.405 0.849 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000155049573 523222193 /nfs/dbraw/zinc/22/21/93/523222193.db2.gz ABFJNMXARITGBY-GHMZBOCLSA-N 0 0 321.381 0.244 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000163284066 523539132 /nfs/dbraw/zinc/53/91/32/523539132.db2.gz VAUJMTASCQCKOW-PWSUYJOCSA-N 0 0 324.402 0.959 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@@](C)(O)C2)[C@H]1c1ccccc1 ZINC000368940350 523693953 /nfs/dbraw/zinc/69/39/53/523693953.db2.gz HVWFANZEZJJBLZ-HLLBOEOZSA-N 0 0 318.373 0.568 10 0 DCAERN COC(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1C ZINC000249063565 523719132 /nfs/dbraw/zinc/71/91/32/523719132.db2.gz JUJICQMXXNTSGG-IJLUTSLNSA-N 0 0 306.366 0.935 10 0 DCAERN CCn1nnnc1-c1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000131966604 523769178 /nfs/dbraw/zinc/76/91/78/523769178.db2.gz OYOSIPCAQPFERJ-JTQLQIEISA-N 0 0 300.322 0.435 10 0 DCAERN CN(C(=O)CCn1cncn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136364834 523814248 /nfs/dbraw/zinc/81/42/48/523814248.db2.gz AMMIJZUBFUURMU-ZDUSSCGKSA-N 0 0 315.381 0.586 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccccc1 ZINC000190735960 523829067 /nfs/dbraw/zinc/82/90/67/523829067.db2.gz FJVNUDWCFKCLCZ-MRXNPFEDSA-N 0 0 304.346 0.971 10 0 DCAERN CN1CCO[C@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416706 523946528 /nfs/dbraw/zinc/94/65/28/523946528.db2.gz RKNMSGORKCINBK-CQSZACIVSA-N 0 0 315.377 0.392 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000189573875 523997841 /nfs/dbraw/zinc/99/78/41/523997841.db2.gz OKAKSBDFXZAJNX-LSDHHAIUSA-N 0 0 316.361 0.766 10 0 DCAERN CO[C@H]1CN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC[C@@H]1C ZINC000187937409 524004781 /nfs/dbraw/zinc/00/47/81/524004781.db2.gz PDZNNBWCITZJMW-GWCFXTLKSA-N 0 0 318.377 0.757 10 0 DCAERN CN1C[C@H](NC(=O)C[C@H](NC(N)=O)c2cccs2)CCC1=O ZINC000131020140 524022269 /nfs/dbraw/zinc/02/22/69/524022269.db2.gz ZKVPIXUCPLGRNF-ZJUUUORDSA-N 0 0 324.406 0.585 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)CCC1=O ZINC000128730933 524023765 /nfs/dbraw/zinc/02/37/65/524023765.db2.gz NXLWUTVJGANSOV-CZUORRHYSA-N 0 0 305.378 0.814 10 0 DCAERN COCCO[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000189531891 524036452 /nfs/dbraw/zinc/03/64/52/524036452.db2.gz DWSWJEULHXMRBT-NEPJUHHUSA-N 0 0 310.350 0.662 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000162746161 524042698 /nfs/dbraw/zinc/04/26/98/524042698.db2.gz IMDQDEYDCFZLPQ-UHFFFAOYSA-N 0 0 304.350 0.218 10 0 DCAERN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC(CO)C2)cc1 ZINC000157018972 524425893 /nfs/dbraw/zinc/42/58/93/524425893.db2.gz DODZRPAYQGRQKR-OAHLLOKOSA-N 0 0 302.374 0.937 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC000156953719 524577960 /nfs/dbraw/zinc/57/79/60/524577960.db2.gz PUCVIEIIVPSBFB-QWRGUYRKSA-N 0 0 306.366 0.447 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2ccccc2)CCS1(=O)=O ZINC000159168696 524653739 /nfs/dbraw/zinc/65/37/39/524653739.db2.gz RVCFXLVCMPXPAN-NSHDSACASA-N 0 0 303.405 0.635 10 0 DCAERN C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)C[C@@H](C(N)=O)O1 ZINC000157511323 524768372 /nfs/dbraw/zinc/76/83/72/524768372.db2.gz KZSQWBNIRBOGCI-KOLCDFICSA-N 0 0 322.365 0.371 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000158350686 524799927 /nfs/dbraw/zinc/79/99/27/524799927.db2.gz LAWXQQWCKNFKKH-ZYHUDNBSSA-N 0 0 306.370 0.119 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000127978556 524813037 /nfs/dbraw/zinc/81/30/37/524813037.db2.gz RDFKZPOTYFXBKE-QWRGUYRKSA-N 0 0 317.349 0.339 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@@H](C(N)=O)O1 ZINC000157459516 524852209 /nfs/dbraw/zinc/85/22/09/524852209.db2.gz QWRYKOJGWHDPNK-RNCFNFMXSA-N 0 0 316.317 0.451 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1nncn1-c1ccccc1 ZINC000189992648 525037395 /nfs/dbraw/zinc/03/73/95/525037395.db2.gz AXGHMDDGHNWFIX-YPMHNXCESA-N 0 0 322.390 0.864 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CCc2ccccc2)CCS1(=O)=O ZINC000159189400 525042039 /nfs/dbraw/zinc/04/20/39/525042039.db2.gz KPGGTRRPMUJSIZ-GFCCVEGCSA-N 0 0 317.432 0.678 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)n(-c2ccc(C)nn2)n1 ZINC000187924133 525110803 /nfs/dbraw/zinc/11/08/03/525110803.db2.gz IJLWXLGWSYDREK-GZMMTYOYSA-N 0 0 314.349 0.742 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[C@@H]1CCCO1 ZINC000246059253 525182954 /nfs/dbraw/zinc/18/29/54/525182954.db2.gz AYAHGNCTQQMNJH-KBXIAJHMSA-N 0 0 311.426 0.916 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000116832398 525213507 /nfs/dbraw/zinc/21/35/07/525213507.db2.gz IZFRGRBNZPBIGD-AWEZNQCLSA-N 0 0 308.403 0.939 10 0 DCAERN C[C@]1(O)CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000188427250 525311217 /nfs/dbraw/zinc/31/12/17/525311217.db2.gz BBCUUGIPIJCMEC-DOMZBBRYSA-N 0 0 305.382 0.612 10 0 DCAERN C[S@@](=O)CCC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000159951182 525361850 /nfs/dbraw/zinc/36/18/50/525361850.db2.gz JASAKAMTOMOAHT-IBGZPJMESA-N 0 0 300.346 0.852 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1 ZINC000276138732 534853258 /nfs/dbraw/zinc/85/32/58/534853258.db2.gz OYJFGSQWMINSBV-UHFFFAOYSA-N 0 0 303.318 0.176 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@@H]3CN4CCN3CC4)cc2c1 ZINC000189524228 525479057 /nfs/dbraw/zinc/47/90/57/525479057.db2.gz BPQSDCLHKBRPSZ-CYBMUJFWSA-N 0 0 314.389 0.906 10 0 DCAERN Cc1c(S(=O)(=O)NCC2(C)COC2)cnn1-c1ccccn1 ZINC000266233176 525885795 /nfs/dbraw/zinc/88/57/95/525885795.db2.gz YMZXRZKMYVCJEY-UHFFFAOYSA-N 0 0 322.390 0.891 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104892035 526207079 /nfs/dbraw/zinc/20/70/79/526207079.db2.gz CLZUFWYBBUWJBF-MRVPVSSYSA-N 0 0 320.740 0.276 10 0 DCAERN COc1cccc(OC)c1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120249624 526220925 /nfs/dbraw/zinc/22/09/25/526220925.db2.gz BGKSXVXKLVCTJS-LLVKDONJSA-N 0 0 316.361 0.969 10 0 DCAERN C[C@H](CC(=O)N[C@@H]1CCC(=O)NC1=O)C(=O)c1cccc(F)c1 ZINC000153421118 526244629 /nfs/dbraw/zinc/24/46/29/526244629.db2.gz AJQFXRHDZOBSIY-BXKDBHETSA-N 0 0 320.320 0.956 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3C)C2)c1 ZINC000154562471 526265626 /nfs/dbraw/zinc/26/56/26/526265626.db2.gz ADKMTNNIQGEOAW-GFCCVEGCSA-N 0 0 316.365 0.727 10 0 DCAERN Cc1noc(C)c1CCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150734019 526488831 /nfs/dbraw/zinc/48/88/31/526488831.db2.gz DWOALKRKUFUHSR-UHFFFAOYSA-N 0 0 306.322 0.260 10 0 DCAERN O=C(CCOCC(F)F)N1CCN(c2cccnn2)CC1 ZINC000190954070 526520192 /nfs/dbraw/zinc/52/01/92/526520192.db2.gz NTLXJKOWQNSPPK-UHFFFAOYSA-N 0 0 300.309 0.797 10 0 DCAERN Cc1noc([C@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)n1 ZINC000128851920 526668058 /nfs/dbraw/zinc/66/80/58/526668058.db2.gz FTLONTIAJSBHES-NWDGAFQWSA-N 0 0 321.381 0.888 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@@H](O)C2CCCCC2)n1 ZINC000364840123 526673894 /nfs/dbraw/zinc/67/38/94/526673894.db2.gz DICALXULFJFVSI-UPJWGTAASA-N 0 0 309.366 0.954 10 0 DCAERN O=C(NCc1cccnc1OCC(F)F)N1CC(CO)C1 ZINC000189714805 526772862 /nfs/dbraw/zinc/77/28/62/526772862.db2.gz PKWHUSBWCBYZJA-UHFFFAOYSA-N 0 0 301.293 0.859 10 0 DCAERN O=C(c1cnn2cc(Br)cnc12)N1CCNC(=O)C1 ZINC000124367300 526891399 /nfs/dbraw/zinc/89/13/99/526891399.db2.gz RETSXUFXTPACRH-UHFFFAOYSA-N 0 0 324.138 0.064 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)C2)no1 ZINC000267701253 526918059 /nfs/dbraw/zinc/91/80/59/526918059.db2.gz RNUFNLBLPKAATJ-NWDGAFQWSA-N 0 0 321.381 0.573 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)N1CC(CO)C1 ZINC000188886454 527049943 /nfs/dbraw/zinc/04/99/43/527049943.db2.gz YHYOIYLAUUUXOG-LBPRGKRZSA-N 0 0 307.325 0.565 10 0 DCAERN NC(=O)c1ccc(NC(=O)NCc2nnc3n2CCCC3)cn1 ZINC000163974131 527063028 /nfs/dbraw/zinc/06/30/28/527063028.db2.gz ZAECBZCAMCXMTF-UHFFFAOYSA-N 0 0 315.337 0.430 10 0 DCAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N1CCNC(=O)CC1 ZINC000133737082 527111382 /nfs/dbraw/zinc/11/13/82/527111382.db2.gz HSYXUUYTXJHKIO-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN Cc1nc2cc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)ccc2o1 ZINC000189535700 527122995 /nfs/dbraw/zinc/12/29/95/527122995.db2.gz MYJUXFQLQGCBJT-LBPRGKRZSA-N 0 0 318.333 0.701 10 0 DCAERN Cn1c2ncn(CCSC3CCOCC3)c2c(=O)n(C)c1=O ZINC000130903242 527126250 /nfs/dbraw/zinc/12/62/50/527126250.db2.gz CCNJVBPBNCRFTP-UHFFFAOYSA-N 0 0 324.406 0.346 10 0 DCAERN O=Cc1ccc(OCC(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000160403655 527149783 /nfs/dbraw/zinc/14/97/83/527149783.db2.gz KYNDGSDPWPDKLC-INIZCTEOSA-N 0 0 318.373 0.857 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000331325563 527154771 /nfs/dbraw/zinc/15/47/71/527154771.db2.gz MMTIGGKHEQLTCZ-CQSZACIVSA-N 0 0 316.352 0.736 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246794650 527181049 /nfs/dbraw/zinc/18/10/49/527181049.db2.gz ARFKMILWNNUNRF-KGLIPLIRSA-N 0 0 318.439 0.292 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188011964 527198268 /nfs/dbraw/zinc/19/82/68/527198268.db2.gz DGABOZJFLDQGMS-UHFFFAOYSA-N 0 0 319.336 0.891 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCO2)N1C[C@H](F)C[C@@H]1CO ZINC000364154160 527280335 /nfs/dbraw/zinc/28/03/35/527280335.db2.gz CZHLDDOFKGDTRQ-GHMZBOCLSA-N 0 0 301.339 0.715 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187721186 527396319 /nfs/dbraw/zinc/39/63/19/527396319.db2.gz BUCSRWLFBOBZML-CYBMUJFWSA-N 0 0 319.405 0.826 10 0 DCAERN Cc1nccn1CCCCNC(=O)CNC(=O)c1cccnc1 ZINC000158792308 527400041 /nfs/dbraw/zinc/40/00/41/527400041.db2.gz CIGUPWSUQHLCOO-UHFFFAOYSA-N 0 0 315.377 0.913 10 0 DCAERN CCC1CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000192747977 527847374 /nfs/dbraw/zinc/84/73/74/527847374.db2.gz LEZWISBBPNOGKO-UHFFFAOYSA-N 0 0 317.455 0.987 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000174491117 527860369 /nfs/dbraw/zinc/86/03/69/527860369.db2.gz UKLHOTVHMHQSEL-ZDUSSCGKSA-N 0 0 308.444 0.618 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000188840106 527925655 /nfs/dbraw/zinc/92/56/55/527925655.db2.gz PMWUSTUWTLHAGM-XHDPSFHLSA-N 0 0 300.399 0.585 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000162930577 528024804 /nfs/dbraw/zinc/02/48/04/528024804.db2.gz BWXMIVLPFUSORQ-UHFFFAOYSA-N 0 0 316.361 0.815 10 0 DCAERN CC1(O)CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000177786918 528040255 /nfs/dbraw/zinc/04/02/55/528040255.db2.gz WHZQFGKPUYCPLE-UHFFFAOYSA-N 0 0 317.345 0.063 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000162975058 528417704 /nfs/dbraw/zinc/41/77/04/528417704.db2.gz BJYCCJJDFWXFDT-NWDGAFQWSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)n1ccnc1CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000170958727 528605213 /nfs/dbraw/zinc/60/52/13/528605213.db2.gz AHLBWGWWYWQFAO-LBPRGKRZSA-N 0 0 315.443 0.469 10 0 DCAERN CCN(Cc1nnc(C)o1)[C@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644554 528890272 /nfs/dbraw/zinc/89/02/72/528890272.db2.gz RUZZXMROIFUUDG-QWHCGFSZSA-N 0 0 318.381 0.548 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000366705680 535555650 /nfs/dbraw/zinc/55/56/50/535555650.db2.gz WVVQCOFEJHFNRS-UTUOFQBUSA-N 0 0 311.382 0.638 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)CCCO)cc1 ZINC000443005128 536108201 /nfs/dbraw/zinc/10/82/01/536108201.db2.gz WJJRPEALWKYYJE-UHFFFAOYSA-N 0 0 314.407 0.320 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000283972265 536436572 /nfs/dbraw/zinc/43/65/72/536436572.db2.gz GZBSCXYQLGIYEV-CABCVRRESA-N 0 0 317.389 0.591 10 0 DCAERN COCC(=O)N1CCN(c2ccc(OC)cc2OC)C(=O)[C@H]1C ZINC000037520035 536768152 /nfs/dbraw/zinc/76/81/52/536768152.db2.gz NIOFDPUOSSGTMW-LLVKDONJSA-N 0 0 322.361 0.914 10 0 DCAERN COC(=O)c1nc(N2CC[C@H](NS(C)(=O)=O)C2)sc1C ZINC000425237412 536862787 /nfs/dbraw/zinc/86/27/87/536862787.db2.gz SAILTQWSIGLYJH-QMMMGPOBSA-N 0 0 319.408 0.366 10 0 DCAERN CCOC(=O)[C@@H]([NH3+])CCn1cc(I)cn1 ZINC000070678585 545661149 /nfs/dbraw/zinc/66/11/49/545661149.db2.gz QJGGAFJCZYZBTF-QMMMGPOBSA-N 0 0 323.134 0.768 10 0 DCAERN CN[C@H](CCn1cc(I)cn1)C(=O)OC ZINC000070678731 545663756 /nfs/dbraw/zinc/66/37/56/545663756.db2.gz POBWKBRJFRHLPB-MRVPVSSYSA-N 0 0 323.134 0.639 10 0 DCAERN CCOc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C)C2)cc1 ZINC000074863435 545673680 /nfs/dbraw/zinc/67/36/80/545673680.db2.gz NWKNGWCPNDCYHE-LLVKDONJSA-N 0 0 312.391 0.842 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000075656370 545675561 /nfs/dbraw/zinc/67/55/61/545675561.db2.gz BAEODBIZXGJCJN-WDEREUQCSA-N 0 0 310.441 0.082 10 0 DCAERN Cn1nc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)ccc1=O ZINC000076248939 545675866 /nfs/dbraw/zinc/67/58/66/545675866.db2.gz FBDRXFPRZFNWOY-NWDGAFQWSA-N 0 0 323.418 0.907 10 0 DCAERN CCOC[C@H](C)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000109227437 545734396 /nfs/dbraw/zinc/73/43/96/545734396.db2.gz GIUDLEYQSKZCCH-NSHDSACASA-N 0 0 314.407 0.808 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000129711251 545783910 /nfs/dbraw/zinc/78/39/10/545783910.db2.gz LZCWQXFVOOAXCT-JTQLQIEISA-N 0 0 315.395 0.699 10 0 DCAERN O=C1CCCN1CCCNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000154363090 545838303 /nfs/dbraw/zinc/83/83/03/545838303.db2.gz LOGHKQHIUFHZJO-LBPRGKRZSA-N 0 0 304.412 0.487 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000154483046 545839490 /nfs/dbraw/zinc/83/94/90/545839490.db2.gz UICNILQLRDPTOH-CYBMUJFWSA-N 0 0 321.352 0.524 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000178130590 545894056 /nfs/dbraw/zinc/89/40/56/545894056.db2.gz LLYQTEPIULBCDM-UHFFFAOYSA-N 0 0 316.361 0.424 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NC[C@@]1(O)CCOC1 ZINC000179793128 545899963 /nfs/dbraw/zinc/89/99/63/545899963.db2.gz BBAYCBZUPAFVHN-HNNXBMFYSA-N 0 0 310.398 0.420 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCCNC3=O)cnc12 ZINC000179739121 545900001 /nfs/dbraw/zinc/90/00/01/545900001.db2.gz UUHCTJHHHKIRHW-GFCCVEGCSA-N 0 0 314.345 0.401 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000191157896 545924862 /nfs/dbraw/zinc/92/48/62/545924862.db2.gz FGKNJJQTZWPOGO-WDEREUQCSA-N 0 0 308.357 0.920 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)NCC2(CO)CC2)[C@@H]1c1ccccc1 ZINC000223224641 545943091 /nfs/dbraw/zinc/94/30/91/545943091.db2.gz WXUJGKPGOVCCPX-GJZGRUSLSA-N 0 0 318.373 0.474 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@@H]1COCCN1 ZINC000237901703 545957561 /nfs/dbraw/zinc/95/75/61/545957561.db2.gz OAXKOYKFLTZWBU-LBPRGKRZSA-N 0 0 310.423 0.390 10 0 DCAERN O=C(Nc1ccc(NC(=O)[C@@H]2COCCN2)cc1)NC1CC1 ZINC000237923247 545959062 /nfs/dbraw/zinc/95/90/62/545959062.db2.gz URTVFFCZVOGKHK-ZDUSSCGKSA-N 0 0 304.350 0.897 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246087755 545963189 /nfs/dbraw/zinc/96/31/89/545963189.db2.gz JABMCYKHJXEUAW-ZJUUUORDSA-N 0 0 317.329 0.884 10 0 DCAERN CN(C)C(=O)Cn1ccc(NC(=O)N2CC3(C2)CCCOC3)n1 ZINC000329550093 546051002 /nfs/dbraw/zinc/05/10/02/546051002.db2.gz JEJNSHLJLXCKBX-UHFFFAOYSA-N 0 0 321.381 0.616 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1O ZINC000332739984 546058593 /nfs/dbraw/zinc/05/85/93/546058593.db2.gz BKHDTZPSNWSBCN-GRYCIOLGSA-N 0 0 319.427 0.013 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)cn1 ZINC000332862065 546063764 /nfs/dbraw/zinc/06/37/64/546063764.db2.gz PPNHUKIMAKYZFH-AAEUAGOBSA-N 0 0 315.381 0.526 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)cn1 ZINC000332862066 546063858 /nfs/dbraw/zinc/06/38/58/546063858.db2.gz PPNHUKIMAKYZFH-WCQYABFASA-N 0 0 315.381 0.526 10 0 DCAERN C[C@@]12CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333552245 546084534 /nfs/dbraw/zinc/08/45/34/546084534.db2.gz UWGXMWKXNRPVBN-COMQUAJESA-N 0 0 312.435 0.917 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000333979705 546097296 /nfs/dbraw/zinc/09/72/96/546097296.db2.gz BDXCPOMSGNRYAE-KRXYVZHUSA-N 0 0 324.421 0.990 10 0 DCAERN Cn1cc(C(=O)c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362675 546162270 /nfs/dbraw/zinc/16/22/70/546162270.db2.gz VPTBHACFDOOMBP-NHYWBVRUSA-N 0 0 317.349 0.960 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000359086667 546196429 /nfs/dbraw/zinc/19/64/29/546196429.db2.gz LSPIIOBXCNAJKY-AWEZNQCLSA-N 0 0 304.346 0.571 10 0 DCAERN COc1cccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2CO)c1 ZINC000380517172 546215890 /nfs/dbraw/zinc/21/58/90/546215890.db2.gz AXJWANBJXGAUSQ-CMPLNLGQSA-N 0 0 301.364 0.466 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cccn2Cc2ccccc2)C1 ZINC000390732979 546220431 /nfs/dbraw/zinc/22/04/31/546220431.db2.gz YVSUABKNWPAPMK-KRWDZBQOSA-N 0 0 313.357 0.599 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405260714 546227771 /nfs/dbraw/zinc/22/77/71/546227771.db2.gz IVVLIRQHHYEAOT-NWDGAFQWSA-N 0 0 300.355 0.265 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccccc2Cn2ccnn2)C1 ZINC000667605394 546626813 /nfs/dbraw/zinc/62/68/13/546626813.db2.gz GMCQTWXMFRGYGO-AWEZNQCLSA-N 0 0 315.377 0.387 10 0 DCAERN Cn1c2ccccc2nc1CN1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671492192 547225940 /nfs/dbraw/zinc/22/59/40/547225940.db2.gz CGLBVONQOSAPDZ-INIZCTEOSA-N 0 0 312.377 0.802 10 0 DCAERN CCn1cc(CC[N@@H+]2C[C@@H](C(=O)N(C)C)CC[C@@H]2C(=O)[O-])cn1 ZINC000685940546 548746878 /nfs/dbraw/zinc/74/68/78/548746878.db2.gz OAWMKOPWLJXBPC-UONOGXRCSA-N 0 0 322.409 0.699 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)[C@@](C)(O)COC)n1 ZINC000526063071 660857193 /nfs/dbraw/zinc/85/71/93/660857193.db2.gz PFXQNZVBSUDSGA-ZDUSSCGKSA-N 0 0 316.379 0.376 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2cnnn2C)cn1 ZINC000888094647 661162330 /nfs/dbraw/zinc/16/23/30/661162330.db2.gz AETOTFRFXJMJRN-QWHCGFSZSA-N 0 0 304.354 0.207 10 0 DCAERN Cc1ccnn1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000888095081 661164859 /nfs/dbraw/zinc/16/48/59/661164859.db2.gz HYSZUSSJMMDLJU-HUBLWGQQSA-N 0 0 306.366 0.134 10 0 DCAERN CC/C(C)=C(/C)C(=O)N1CC(N2C[C@@H](C(=O)NC)CC2=O)C1 ZINC000888105399 661222053 /nfs/dbraw/zinc/22/20/53/661222053.db2.gz MXGSFTBWXLPJGY-WEHUKYGOSA-N 0 0 307.394 0.538 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CC2CCSCC2)CCC1 ZINC000721524640 657558340 /nfs/dbraw/zinc/55/83/40/657558340.db2.gz UEVPNCAWEIMAKD-UHFFFAOYSA-N 0 0 306.453 0.847 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1ccnn1C ZINC000186419084 665517147 /nfs/dbraw/zinc/51/71/47/665517147.db2.gz KWYKXSPBXQHGNB-UHFFFAOYSA-N 0 0 317.802 0.636 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](C)[C@H](C)O ZINC000344879288 657920405 /nfs/dbraw/zinc/92/04/05/657920405.db2.gz JGSGTRITCUCNOO-SFYZADRCSA-N 0 0 307.393 0.891 10 0 DCAERN Cc1cccnc1COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000254959728 657955880 /nfs/dbraw/zinc/95/58/80/657955880.db2.gz JTAMSHCNNNTMDD-SREVYHEPSA-N 0 0 315.329 0.544 10 0 DCAERN C[C@H](O)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000346480469 657977900 /nfs/dbraw/zinc/97/79/00/657977900.db2.gz UIKTVBBMAAYDOY-IUCAKERBSA-N 0 0 306.409 0.302 10 0 DCAERN C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CC(N)=O)CC1 ZINC000176218408 658020822 /nfs/dbraw/zinc/02/08/22/658020822.db2.gz LXWLLGGZCHNHKF-ZRDIBKRKSA-N 0 0 305.353 0.859 10 0 DCAERN C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@H]2CNCCS2(=O)=O)C1 ZINC000725019241 658022892 /nfs/dbraw/zinc/02/28/92/658022892.db2.gz YGMSHEPJKOOIRU-UPJWGTAASA-N 0 0 302.440 0.800 10 0 DCAERN C[C@@H]1CCC[C@H](N(C)C(=O)C[C@@H]2CNCCS2(=O)=O)C1 ZINC000725019239 658023649 /nfs/dbraw/zinc/02/36/49/658023649.db2.gz YGMSHEPJKOOIRU-FRRDWIJNSA-N 0 0 302.440 0.800 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCc1ccccc1Cl ZINC000725023795 658026635 /nfs/dbraw/zinc/02/66/35/658026635.db2.gz KXULQIDBHKTBDC-NSHDSACASA-N 0 0 316.810 0.733 10 0 DCAERN CCN(Cc1cccs1)C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725026089 658028605 /nfs/dbraw/zinc/02/86/05/658028605.db2.gz ZBGWFFDWULXOKV-LBPRGKRZSA-N 0 0 316.448 0.873 10 0 DCAERN COC1(C(F)(F)F)CN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000724197969 658044421 /nfs/dbraw/zinc/04/44/21/658044421.db2.gz LOBQRQMWJYKUDF-UHFFFAOYSA-N 0 0 312.273 0.011 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC1CCOCC1 ZINC000158821845 658101998 /nfs/dbraw/zinc/10/19/98/658101998.db2.gz QIAUOLBOJALPOZ-UHFFFAOYSA-N 0 0 304.302 0.412 10 0 DCAERN Cn1c(=O)ccn(CC(=O)OCCSC(F)(F)F)c1=O ZINC000187574216 658197280 /nfs/dbraw/zinc/19/72/80/658197280.db2.gz UMEYQUQLDCNQBW-UHFFFAOYSA-N 0 0 312.269 0.343 10 0 DCAERN CC(C)C[C@@H]1CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000307842798 658226723 /nfs/dbraw/zinc/22/67/23/658226723.db2.gz LIINANKXBKUSFZ-STQMWFEESA-N 0 0 302.440 0.658 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CCC(Cn3cccn3)CC2)C1 ZINC000181376742 665562517 /nfs/dbraw/zinc/56/25/17/665562517.db2.gz TUTSVYAHHQNAGO-AWEZNQCLSA-N 0 0 320.393 0.574 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255624634 658389851 /nfs/dbraw/zinc/38/98/51/658389851.db2.gz WYJHNCSXAAGAMS-FFXRNRBCSA-N 0 0 324.402 0.512 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCC[C@@H]1O ZINC000051996095 658709283 /nfs/dbraw/zinc/70/92/83/658709283.db2.gz QXVOXEDVLRFAOI-MXWKQRLJSA-N 0 0 307.437 0.326 10 0 DCAERN CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)C1(C)C ZINC000888078746 658724354 /nfs/dbraw/zinc/72/43/54/658724354.db2.gz SUOOFQNSBGVABW-QVHKTLOISA-N 0 0 324.421 0.813 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](N[C@@H]1COCC1(C)C)C(F)(F)F ZINC000313037297 658946811 /nfs/dbraw/zinc/94/68/11/658946811.db2.gz YIRQUQBESBZRQF-RKDXNWHRSA-N 0 0 318.361 0.823 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 ZINC000181774780 659073961 /nfs/dbraw/zinc/07/39/61/659073961.db2.gz YEMYRLQCKWMUCG-UHFFFAOYSA-N 0 0 316.365 0.489 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NN1CCCCC1 ZINC000122921196 659108836 /nfs/dbraw/zinc/10/88/36/659108836.db2.gz RFFGRFRZPIDOGA-UHFFFAOYSA-N 0 0 302.334 0.207 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N(Cc1ccccc1)C1CC1 ZINC000309578955 659143288 /nfs/dbraw/zinc/14/32/88/659143288.db2.gz ZGZRGCOZPWFETE-AWEZNQCLSA-N 0 0 322.430 0.954 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(C=O)cc1 ZINC000053317109 659343695 /nfs/dbraw/zinc/34/36/95/659343695.db2.gz HMAYYVRCFOAJTC-WCQYABFASA-N 0 0 304.346 0.990 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1C ZINC000194203965 659486626 /nfs/dbraw/zinc/48/66/26/659486626.db2.gz AFIHYADILOCNLP-WDEREUQCSA-N 0 0 316.352 0.675 10 0 DCAERN C[C@H](CNC(=O)c1cccn1Cc1ccccc1)S(N)(=O)=O ZINC000398425943 659543986 /nfs/dbraw/zinc/54/39/86/659543986.db2.gz QQARDTILRWTZOV-GFCCVEGCSA-N 0 0 321.402 0.943 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCc1cn[nH]c1 ZINC000178448776 659741672 /nfs/dbraw/zinc/74/16/72/659741672.db2.gz ARNAPPVWCKLTNC-GFCCVEGCSA-N 0 0 315.395 0.700 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000333127404 659770008 /nfs/dbraw/zinc/77/00/08/659770008.db2.gz ICYLQHBJIPYKTM-GFCCVEGCSA-N 0 0 317.393 0.795 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000124852958 659788612 /nfs/dbraw/zinc/78/86/12/659788612.db2.gz ZMLMFHGGCFURAQ-ZDUSSCGKSA-N 0 0 310.394 0.999 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000095016484 661317915 /nfs/dbraw/zinc/31/79/15/661317915.db2.gz MCFIXYFCPNNUQG-QJPTWQEYSA-N 0 0 304.412 0.847 10 0 DCAERN COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000726715227 661664945 /nfs/dbraw/zinc/66/49/45/661664945.db2.gz NDQHILDSSQSJIJ-YUMQZZPRSA-N 0 0 313.276 0.440 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000338951874 661809299 /nfs/dbraw/zinc/80/92/99/661809299.db2.gz UXYNFDFRJPSRDC-SNVBAGLBSA-N 0 0 311.363 0.047 10 0 DCAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCOC[C@@H]2C(N)=O)C1 ZINC000894669928 661991788 /nfs/dbraw/zinc/99/17/88/661991788.db2.gz ARHMKNZZQRGPJV-GRYCIOLGSA-N 0 0 313.398 0.476 10 0 DCAERN O=C([O-])c1nccnc1C(=O)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223171337 662060339 /nfs/dbraw/zinc/06/03/39/662060339.db2.gz OYLBYACZEYKEHZ-SECBINFHSA-N 0 0 318.333 0.306 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C ZINC000895582293 662197335 /nfs/dbraw/zinc/19/73/35/662197335.db2.gz TXSMCJNEIDKZRG-CHWSQXEVSA-N 0 0 318.421 0.967 10 0 DCAERN Cc1csc([C@@H](C)NC(=S)NCCNS(C)(=O)=O)n1 ZINC000727658290 662214295 /nfs/dbraw/zinc/21/42/95/662214295.db2.gz FEBHMMFQUFKSET-MRVPVSSYSA-N 0 0 322.481 0.526 10 0 DCAERN COCCS(=O)(=O)CC(=O)N[C@H](C)c1nc(C)cs1 ZINC000727668901 662218632 /nfs/dbraw/zinc/21/86/32/662218632.db2.gz ABYUFJVNUPFYNI-SECBINFHSA-N 0 0 306.409 0.690 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1cccc2c1OCCO2 ZINC000727855171 662256303 /nfs/dbraw/zinc/25/63/03/662256303.db2.gz WOPFUXPEFUVINV-LBPRGKRZSA-N 0 0 322.386 0.995 10 0 DCAERN CCOc1cc(C)nc(N2CCN(Cn3cnnc3)CC2)n1 ZINC000182591746 665852668 /nfs/dbraw/zinc/85/26/68/665852668.db2.gz WEIRAKLJMJKXJP-UHFFFAOYSA-N 0 0 303.370 0.555 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000170270020 662654599 /nfs/dbraw/zinc/65/45/99/662654599.db2.gz HJIAOBXZJJEKJI-AWEZNQCLSA-N 0 0 310.375 0.596 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)C(C)C ZINC000179127725 662770835 /nfs/dbraw/zinc/77/08/35/662770835.db2.gz RNGXYWKMLUMOHR-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN CC1(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)OCCO1 ZINC000179195413 662824394 /nfs/dbraw/zinc/82/43/94/662824394.db2.gz PIGDCPYLFOMMBQ-UHFFFAOYSA-N 0 0 323.740 0.809 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)N(C)C ZINC000729704196 662907771 /nfs/dbraw/zinc/90/77/71/662907771.db2.gz OUWJNXNTYDZILO-JTQLQIEISA-N 0 0 318.351 0.197 10 0 DCAERN CC(C)[C@@H](OC(=O)COc1ccccc1C(N)=O)C(=O)N(C)C ZINC000729701188 662907849 /nfs/dbraw/zinc/90/78/49/662907849.db2.gz YMTGOQLJFFJMBW-CQSZACIVSA-N 0 0 322.361 0.820 10 0 DCAERN O=C(CCC(=O)N1CCOc2ccccc21)N1CCNC(=O)C1 ZINC000730095960 663044157 /nfs/dbraw/zinc/04/41/57/663044157.db2.gz NDNBDLDQYCPTBT-UHFFFAOYSA-N 0 0 317.345 0.151 10 0 DCAERN CCNC(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730103957 663044417 /nfs/dbraw/zinc/04/44/17/663044417.db2.gz MBWSEYXPHNOZFA-UHFFFAOYSA-N 0 0 319.361 0.445 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128160563 663083402 /nfs/dbraw/zinc/08/34/02/663083402.db2.gz XNNSIBXFGDRRRA-XIRDDKMYSA-N 0 0 318.417 0.908 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)[nH]1 ZINC000435458512 663198311 /nfs/dbraw/zinc/19/83/11/663198311.db2.gz PMGGQFWUWIFMKV-SECBINFHSA-N 0 0 323.378 0.159 10 0 DCAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)[C@H](C)O ZINC000346480467 663200558 /nfs/dbraw/zinc/20/05/58/663200558.db2.gz UIKTVBBMAAYDOY-BDAKNGLRSA-N 0 0 306.409 0.302 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3ccccc3)C2)C1=O ZINC000900607649 663260831 /nfs/dbraw/zinc/26/08/31/663260831.db2.gz MJTAXAKJFXLIBL-TZMCWYRMSA-N 0 0 303.362 0.239 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)N2CCCC2)no1 ZINC000900868751 663291507 /nfs/dbraw/zinc/29/15/07/663291507.db2.gz SLWUGUZYPJPPBV-NSHDSACASA-N 0 0 307.354 0.847 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)n1C ZINC000900961764 663297933 /nfs/dbraw/zinc/29/79/33/663297933.db2.gz ZLNLMWGZOQVZIJ-LBPRGKRZSA-N 0 0 303.366 0.534 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)[C@H]1CCCC[C@H]1C ZINC000031468252 663583335 /nfs/dbraw/zinc/58/33/35/663583335.db2.gz BQFSNXDKKSRJAW-CABCVRRESA-N 0 0 303.406 0.366 10 0 DCAERN Cn1cc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n(C)c1=O ZINC000908192757 663741221 /nfs/dbraw/zinc/74/12/21/663741221.db2.gz YPMCSDVYAWXOPV-RYUDHWBXSA-N 0 0 321.402 0.633 10 0 DCAERN COc1ccc(OCC(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)cc1 ZINC000909147562 663783402 /nfs/dbraw/zinc/78/34/02/663783402.db2.gz GWVWPLRZLPNSPP-FMKPAKJESA-N 0 0 317.345 0.761 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC1([S@](C)=O)CCC1 ZINC000438133488 664051570 /nfs/dbraw/zinc/05/15/70/664051570.db2.gz UVNWJXNYVVCGCD-OVWNDWIMSA-N 0 0 304.437 0.325 10 0 DCAERN CC1CC(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)C1 ZINC000913127276 664272576 /nfs/dbraw/zinc/27/25/76/664272576.db2.gz IXCNVSQBHHLYOJ-RUXDESIVSA-N 0 0 314.451 0.754 10 0 DCAERN C#CCNC(=O)COC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000044961800 664376583 /nfs/dbraw/zinc/37/65/83/664376583.db2.gz HEZMTRQNUVMPIT-UHFFFAOYSA-N 0 0 318.329 0.424 10 0 DCAERN CC(C)[C@H]1Nc2ncnc(NCCN3CCOCC3)c2NC1=O ZINC000223988477 664428340 /nfs/dbraw/zinc/42/83/40/664428340.db2.gz FIVSAGRNLHCUDO-LLVKDONJSA-N 0 0 320.397 0.609 10 0 DCAERN Cc1nc(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)oc1C ZINC000058308691 664485160 /nfs/dbraw/zinc/48/51/60/664485160.db2.gz TWOZNVAVMAZWLY-AATRIKPKSA-N 0 0 319.317 0.445 10 0 DCAERN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCO[C@H](CO)C1 ZINC000167431832 664496992 /nfs/dbraw/zinc/49/69/92/664496992.db2.gz QYYBDPXIRNLPBQ-JTQLQIEISA-N 0 0 313.737 0.945 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc(F)c(F)c1 ZINC000167589516 664503393 /nfs/dbraw/zinc/50/33/93/664503393.db2.gz OHWSNKZSAGVASN-VIFPVBQESA-N 0 0 304.318 0.680 10 0 DCAERN CNC(=O)C1(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)CC1 ZINC000440149058 664504382 /nfs/dbraw/zinc/50/43/82/664504382.db2.gz IVSZEQGNELNTON-JTQLQIEISA-N 0 0 305.382 0.831 10 0 DCAERN O=S(=O)(c1ccc(F)c(F)c1F)N1CCOC[C@H]1CO ZINC000168657877 664527379 /nfs/dbraw/zinc/52/73/79/664527379.db2.gz KOLGHURTXMPFNN-SSDOTTSWSA-N 0 0 311.281 0.486 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@@H]1CO ZINC000168658596 664527448 /nfs/dbraw/zinc/52/74/48/664527448.db2.gz RTRMDPZJBQUFGG-JTQLQIEISA-N 0 0 321.782 0.730 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000171266670 664606456 /nfs/dbraw/zinc/60/64/56/664606456.db2.gz PCTYKWIUZSFHRO-QWHCGFSZSA-N 0 0 312.366 0.897 10 0 DCAERN C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)N1CCc2ccccc21 ZINC000171286094 664606646 /nfs/dbraw/zinc/60/66/46/664606646.db2.gz OANSMECQORRHMF-ZFWWWQNUSA-N 0 0 303.406 0.884 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccccn2)cc1 ZINC000172402091 664620962 /nfs/dbraw/zinc/62/09/62/664620962.db2.gz ILPCILVHZZTPKS-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN CCN(CCC[NH+](C)C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000230701977 664623494 /nfs/dbraw/zinc/62/34/94/664623494.db2.gz MFANTNILUZGXBK-UHFFFAOYSA-N 0 0 303.384 0.675 10 0 DCAERN CCOC(=O)c1cn(CN2CC[C@@H](N3CCOCC3)C2)nc1C ZINC000172962418 664626279 /nfs/dbraw/zinc/62/62/79/664626279.db2.gz FLXFVCRLBYKCPM-CQSZACIVSA-N 0 0 322.409 0.732 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173154925 664627175 /nfs/dbraw/zinc/62/71/75/664627175.db2.gz VLGARHKFCFCYQZ-INIZCTEOSA-N 0 0 314.389 0.830 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1ccco1 ZINC000173707708 664630926 /nfs/dbraw/zinc/63/09/26/664630926.db2.gz BJNQXXRFBLJDQT-HZMBPMFUSA-N 0 0 312.391 0.915 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)oc1C ZINC000174595398 664640543 /nfs/dbraw/zinc/64/05/43/664640543.db2.gz QCUITVVAWCTUOR-NSHDSACASA-N 0 0 324.406 0.761 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000730313180 664684302 /nfs/dbraw/zinc/68/43/02/664684302.db2.gz XLMXRTKWAQLNAB-SCZZXKLOSA-N 0 0 302.396 0.754 10 0 DCAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCS1(=O)=O ZINC000151592803 664708023 /nfs/dbraw/zinc/70/80/23/664708023.db2.gz WUBHHSTWXDELHQ-LLVKDONJSA-N 0 0 323.374 0.580 10 0 DCAERN CCN1C(=O)CN(CN2CCO[C@@H](c3nccs3)C2)C1=O ZINC000152240694 664741733 /nfs/dbraw/zinc/74/17/33/664741733.db2.gz BUBORPYRNCWPBB-SNVBAGLBSA-N 0 0 310.379 0.758 10 0 DCAERN COC(=O)c1ncn(CN2CCC(Cn3cccn3)CC2)n1 ZINC000152773984 664772901 /nfs/dbraw/zinc/77/29/01/664772901.db2.gz PNPJLEJAFNKNIX-UHFFFAOYSA-N 0 0 304.354 0.631 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C[C@@H](C)S1 ZINC000226681831 664799149 /nfs/dbraw/zinc/79/91/49/664799149.db2.gz ISDMRTULJOLKNQ-MXWKQRLJSA-N 0 0 306.453 0.116 10 0 DCAERN CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC ZINC000730939278 664828717 /nfs/dbraw/zinc/82/87/17/664828717.db2.gz CXPJZKXJKXMTRB-UHFFFAOYSA-N 0 0 300.380 0.371 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000741422458 664839602 /nfs/dbraw/zinc/83/96/02/664839602.db2.gz WFQARNJTLGEDRE-OAQYLSRUSA-N 0 0 311.363 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1cc(C(N)=O)ccc1F ZINC000741422806 664841741 /nfs/dbraw/zinc/84/17/41/664841741.db2.gz LHWSXKWXNDONAK-FQEVSTJZSA-N 0 0 301.343 0.815 10 0 DCAERN CCS(=O)(=O)NCCOC(=O)Cn1ncc2ccccc21 ZINC000731726548 664880365 /nfs/dbraw/zinc/88/03/65/664880365.db2.gz YAEZODBGWWXGLQ-UHFFFAOYSA-N 0 0 311.363 0.519 10 0 DCAERN Cn1cc(C(=O)NCc2cccnc2-n2ccnc2)ccc1=O ZINC000193479104 664887986 /nfs/dbraw/zinc/88/79/86/664887986.db2.gz SYCJICFFVSKARX-UHFFFAOYSA-N 0 0 309.329 0.896 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000733175685 665078690 /nfs/dbraw/zinc/07/86/90/665078690.db2.gz INLALWYWCNMZCO-SNVBAGLBSA-N 0 0 322.452 0.237 10 0 DCAERN C=C(C)C[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000186299050 665388137 /nfs/dbraw/zinc/38/81/37/665388137.db2.gz SZKZTPBLPULCOW-NEPJUHHUSA-N 0 0 312.391 0.555 10 0 DCAERN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000184095541 666183375 /nfs/dbraw/zinc/18/33/75/666183375.db2.gz UOASPSXRACQGBK-UHFFFAOYSA-N 0 0 303.278 0.906 10 0 DCAERN CCc1ccc(CCOC(=O)CN(C)S(C)(=O)=O)nc1 ZINC000184736451 666266555 /nfs/dbraw/zinc/26/65/55/666266555.db2.gz PVBFPVPJKUSZEG-UHFFFAOYSA-N 0 0 300.380 0.621 10 0 DCAERN Cc1nc(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)no1 ZINC000185202213 666369405 /nfs/dbraw/zinc/36/94/05/666369405.db2.gz PYKPWTJMBQZENX-UHFFFAOYSA-N 0 0 321.312 0.679 10 0 DCAERN Cc1sc(=O)n(CC(=O)O[C@@H](C)CCS(C)(=O)=O)c1C ZINC000185700093 666549833 /nfs/dbraw/zinc/54/98/33/666549833.db2.gz RFQDRUROGFUNGY-QMMMGPOBSA-N 0 0 321.420 0.893 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)OCc1ccc2c(c1)OCCO2 ZINC000733559794 666765519 /nfs/dbraw/zinc/76/55/19/666765519.db2.gz PROMPKUJGSNINV-UHFFFAOYSA-N 0 0 320.301 0.443 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC=C(Br)C1 ZINC000700857647 666774801 /nfs/dbraw/zinc/77/48/01/666774801.db2.gz HUYMPNZYSPRFGR-UHFFFAOYSA-N 0 0 314.139 0.460 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)CCC1CCCC1 ZINC000733963608 666832719 /nfs/dbraw/zinc/83/27/19/666832719.db2.gz TYNYVZDXMPUULX-FQEVSTJZSA-N 0 0 302.440 0.958 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000733878054 666823463 /nfs/dbraw/zinc/82/34/63/666823463.db2.gz FBHHMXKNWYTYHW-ODXCJYRJSA-N 0 0 300.424 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000733879656 666823762 /nfs/dbraw/zinc/82/37/62/666823762.db2.gz QJBACPCDUYTTLM-KDWQMIOLSA-N 0 0 304.437 0.325 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000733961000 666832364 /nfs/dbraw/zinc/83/23/64/666832364.db2.gz QAYULKCRHYRLDC-FFVOIRBGSA-N 0 0 314.329 0.282 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000733963781 666832745 /nfs/dbraw/zinc/83/27/45/666832745.db2.gz IUAKOPVWFCBBMT-OAQYLSRUSA-N 0 0 308.359 0.411 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)C1CCCCC1 ZINC000733964679 666833136 /nfs/dbraw/zinc/83/31/36/666833136.db2.gz STUHHXSQHAZQFR-FQEVSTJZSA-N 0 0 302.440 0.958 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000733967831 666833151 /nfs/dbraw/zinc/83/31/51/666833151.db2.gz ZKHYPIIIEINZRU-JOCHJYFZSA-N 0 0 321.402 0.625 10 0 DCAERN CC(C)COCCC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 ZINC000734720903 666902569 /nfs/dbraw/zinc/90/25/69/666902569.db2.gz GYXTWLXIGQQYTR-UHFFFAOYSA-N 0 0 322.361 0.870 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000735085865 666949124 /nfs/dbraw/zinc/94/91/24/666949124.db2.gz BDDJNINPWIWWCE-HXUWFJFHSA-N 0 0 305.444 0.165 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000735091340 666950494 /nfs/dbraw/zinc/95/04/94/666950494.db2.gz YMIRVGWGVLCFSM-JOCHJYFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCC(=O)NC1CCCCC1 ZINC000735094979 666951187 /nfs/dbraw/zinc/95/11/87/666951187.db2.gz QZVWFNRVEWORQU-OAQYLSRUSA-N 0 0 317.455 0.893 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000735113457 666954560 /nfs/dbraw/zinc/95/45/60/666954560.db2.gz XYWRQMDKWXMIEV-FQEVSTJZSA-N 0 0 301.412 0.019 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000735197581 666965655 /nfs/dbraw/zinc/96/56/55/666965655.db2.gz DIHOISMKPGOPCE-OAQYLSRUSA-N 0 0 312.347 0.239 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]n1 ZINC000702816713 666998920 /nfs/dbraw/zinc/99/89/20/666998920.db2.gz WUVROJIVMGFUEC-JQWIXIFHSA-N 0 0 324.381 0.676 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccnc(F)c2F)C1 ZINC000703181627 667065132 /nfs/dbraw/zinc/06/51/32/667065132.db2.gz AYIRRXIVTFQDFV-ZETCQYMHSA-N 0 0 305.306 0.124 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@H]1CCSC1 ZINC000704797012 667257811 /nfs/dbraw/zinc/25/78/11/667257811.db2.gz USDGIRPXFDEPQF-QWRGUYRKSA-N 0 0 306.453 0.023 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3ncc[nH]3)C2)cc(=O)[nH]1 ZINC000864834613 667287316 /nfs/dbraw/zinc/28/73/16/667287316.db2.gz AWMCLBJVZDUSEL-SECBINFHSA-N 0 0 302.338 0.601 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(C(=O)c3cncn3C)C2)cc(=O)[nH]1 ZINC000864836027 667287785 /nfs/dbraw/zinc/28/77/85/667287785.db2.gz FAJTXQBKUNNYSC-SNVBAGLBSA-N 0 0 316.365 0.611 10 0 DCAERN CCOCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705746659 667370835 /nfs/dbraw/zinc/37/08/35/667370835.db2.gz SNBSJAKAKUBPIG-VXGBXAGGSA-N 0 0 316.398 0.757 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cnccn2)C1 ZINC000705781488 667376083 /nfs/dbraw/zinc/37/60/83/667376083.db2.gz XDLPXOVMTIJLOT-JQWIXIFHSA-N 0 0 322.365 0.434 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cccc(Br)n1 ZINC000706798380 667423609 /nfs/dbraw/zinc/42/36/09/667423609.db2.gz DCNFRSOLIYELRA-APPZFPTMSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccnc(Br)c1 ZINC000706798384 667423709 /nfs/dbraw/zinc/42/37/09/667423709.db2.gz DZRMBFRHWLVFOK-BDAKNGLRSA-N 0 0 301.140 0.724 10 0 DCAERN CCC[C@H]1CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000708482241 667441925 /nfs/dbraw/zinc/44/19/25/667441925.db2.gz XVQBPIROFFDRLM-STQMWFEESA-N 0 0 302.440 0.802 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708180229 667442215 /nfs/dbraw/zinc/44/22/15/667442215.db2.gz SNMOGKQOJCDPHY-GFCCVEGCSA-N 0 0 303.380 0.855 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708242496 667442494 /nfs/dbraw/zinc/44/24/94/667442494.db2.gz XMCINPIUDUPJEM-GFCCVEGCSA-N 0 0 304.412 0.138 10 0 DCAERN Nc1ccnc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000135155712 667573076 /nfs/dbraw/zinc/57/30/76/667573076.db2.gz AVIILWOGHOVCJR-NEPJUHHUSA-N 0 0 304.350 0.976 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)CCC(C)=O)ccc1F ZINC000135172295 667575711 /nfs/dbraw/zinc/57/57/11/667575711.db2.gz MYWMURXSKOBYLC-UHFFFAOYSA-N 0 0 316.354 0.785 10 0 DCAERN O=C(CC/C=C\c1ccccc1)OCC(=O)N1CCNC(=O)C1 ZINC000738678680 667681333 /nfs/dbraw/zinc/68/13/33/667681333.db2.gz RFLSVNACTQHOFR-YWEYNIOJSA-N 0 0 316.357 0.982 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)on1 ZINC000886027185 667725444 /nfs/dbraw/zinc/72/54/44/667725444.db2.gz NTSQPGGLCDGZBE-KBPBESRZSA-N 0 0 319.365 0.518 10 0 DCAERN CC(=O)N1C[C@@H](NC(=O)Cn2cccn2)CC[C@@H]1C(F)(F)F ZINC000886031781 667726062 /nfs/dbraw/zinc/72/60/62/667726062.db2.gz WPANCUVHHADQBV-WDEREUQCSA-N 0 0 318.299 0.941 10 0 DCAERN O=C([C@@H]1CCCO[C@H]1c1cc[nH]n1)N1CC(=O)N(C2CC2)C1 ZINC000886066042 667728058 /nfs/dbraw/zinc/72/80/58/667728058.db2.gz NWEOASRBNOBCST-BXUZGUMPSA-N 0 0 304.350 0.668 10 0 DCAERN COc1nc(C)nc(N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)c1C ZINC000886080047 667729692 /nfs/dbraw/zinc/72/96/92/667729692.db2.gz MBASWPCFTZNTQY-WCQYABFASA-N 0 0 318.381 0.849 10 0 DCAERN CCOC1CC(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)C1 ZINC000886084644 667730033 /nfs/dbraw/zinc/73/00/33/667730033.db2.gz UTMMHVVWESXZDP-ZUEPYMLJSA-N 0 0 322.409 0.526 10 0 DCAERN CC(=O)N[C@H](CC(=O)NC[C@H](O)[C@H](C)O)c1cccs1 ZINC000717377572 667734259 /nfs/dbraw/zinc/73/42/59/667734259.db2.gz CEJHEWWAERKMGF-GDPRMGEGSA-N 0 0 300.380 0.173 10 0 DCAERN CCOC(=O)C1(CNC(=O)NCC[S@](=O)CC)CCC1 ZINC000740918150 667754403 /nfs/dbraw/zinc/75/44/03/667754403.db2.gz YLIDWDPWZKDEEC-HXUWFJFHSA-N 0 0 304.412 0.788 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000741090284 667758776 /nfs/dbraw/zinc/75/87/76/667758776.db2.gz PGTVNHGKLTXJGN-ODXCJYRJSA-N 0 0 305.444 0.023 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000741420138 667770404 /nfs/dbraw/zinc/77/04/04/667770404.db2.gz XLCBDFHPUJVTRK-LHSJRXKWSA-N 0 0 312.435 0.905 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](CO)Cc1ccccc1 ZINC000741420141 667770446 /nfs/dbraw/zinc/77/04/46/667770446.db2.gz XLCBDFHPUJVTRK-SZNDQCEHSA-N 0 0 312.435 0.905 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cn(Cc2cccs2)nn1 ZINC000742657979 667796478 /nfs/dbraw/zinc/79/64/78/667796478.db2.gz IJEZJOMNUNLSGU-HXUWFJFHSA-N 0 0 312.420 0.886 10 0 DCAERN C[C@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(N)=O ZINC000037555821 667869557 /nfs/dbraw/zinc/86/95/57/667869557.db2.gz MBGBHJDCLVMTEH-LURJTMIESA-N 0 0 302.743 0.140 10 0 DCAERN COC(=O)C[C@H]1CN(S(=O)(=O)c2ccns2)CCO1 ZINC000717771793 667949863 /nfs/dbraw/zinc/94/98/63/667949863.db2.gz NWBCVKVZWVJOEK-QMMMGPOBSA-N 0 0 306.365 0.096 10 0 DCAERN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000828758650 668140288 /nfs/dbraw/zinc/14/02/88/668140288.db2.gz WOCHJYVKJAFJGR-IUODEOHRSA-N 0 0 320.389 0.841 10 0 DCAERN Cc1ccsc1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000125152981 668219872 /nfs/dbraw/zinc/21/98/72/668219872.db2.gz ZUEHVJYYJVSMFY-SNVBAGLBSA-N 0 0 302.421 0.449 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126456912 668598314 /nfs/dbraw/zinc/59/83/14/668598314.db2.gz BLIMYAUBUVOENN-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126497617 668614740 /nfs/dbraw/zinc/61/47/40/668614740.db2.gz QAHDDZVJFUTJIL-CYBMUJFWSA-N 0 0 314.382 0.561 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(F)cc1F ZINC000126728642 668651748 /nfs/dbraw/zinc/65/17/48/668651748.db2.gz GFJMVZBNOVSQRN-NSHDSACASA-N 0 0 318.345 0.358 10 0 DCAERN CN1C[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)CCC1=O ZINC000126902479 668683154 /nfs/dbraw/zinc/68/31/54/668683154.db2.gz IDFIHTRSQDULBV-CFMSYZGJSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2ccccc2)C[C@H](C)O1 ZINC000035611464 669012562 /nfs/dbraw/zinc/01/25/62/669012562.db2.gz IYZJBNLOASFNIG-SCRDCRAPSA-N 0 0 314.407 0.664 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccnc2cc(C)nn21 ZINC000932442596 669365719 /nfs/dbraw/zinc/36/57/19/669365719.db2.gz SEZSRCVQDYUTPU-JTQLQIEISA-N 0 0 302.338 0.780 10 0 DCAERN CCC[C@H]1CCCCN1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000212932084 669586493 /nfs/dbraw/zinc/58/64/93/669586493.db2.gz OXHWELWEHUTQBC-STQMWFEESA-N 0 0 302.440 0.944 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000131863311 669689955 /nfs/dbraw/zinc/68/99/55/669689955.db2.gz WKKYLDXIKRLKIG-LLVKDONJSA-N 0 0 320.418 0.932 10 0 DCAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000717212519 669759296 /nfs/dbraw/zinc/75/92/96/669759296.db2.gz HPQDGUNIQMQXDS-MOLYVOAJSA-N 0 0 300.424 0.948 10 0 DCAERN C[C@H]1CN(CN2Cc3ccc(F)cc3C2=O)CCS1(=O)=O ZINC000133464706 669811184 /nfs/dbraw/zinc/81/11/84/669811184.db2.gz RQGRGUSBJWOUTP-JTQLQIEISA-N 0 0 312.366 0.858 10 0 DCAERN C=CCNC(=S)NNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000041962192 669825652 /nfs/dbraw/zinc/82/56/52/669825652.db2.gz CXOAMQKSKOWSQD-UHFFFAOYSA-N 0 0 322.390 0.106 10 0 DCAERN CCCC(=O)NCC(=O)OCc1nnnn1-c1ccccc1 ZINC000047810073 669932581 /nfs/dbraw/zinc/93/25/81/669932581.db2.gz WMHLKDNPESZXGC-UHFFFAOYSA-N 0 0 303.322 0.622 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@@H](O)c2ccsc2)c1 ZINC000188004505 669971275 /nfs/dbraw/zinc/97/12/75/669971275.db2.gz NPIBFWKKRYUSLG-LLVKDONJSA-N 0 0 309.347 0.973 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCC1(C)OCCCO1 ZINC000191115256 669979464 /nfs/dbraw/zinc/97/94/64/669979464.db2.gz PBYJVVSJRMSMKP-UHFFFAOYSA-N 0 0 306.362 0.994 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)Cc1cccc(C)c1 ZINC000191209960 669990942 /nfs/dbraw/zinc/99/09/42/669990942.db2.gz LGTMPSAVJXKDHU-CABCVRRESA-N 0 0 322.430 0.936 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188793554 670047843 /nfs/dbraw/zinc/04/78/43/670047843.db2.gz ZHKOHLPIOAYGTF-SECBINFHSA-N 0 0 300.790 0.521 10 0 DCAERN CCC[C@H]1CC(=O)N(CN2CCCN(CCOC)C(=O)C2)C1 ZINC000189303392 670109024 /nfs/dbraw/zinc/10/90/24/670109024.db2.gz SOZUJYYKJRSUBK-AWEZNQCLSA-N 0 0 311.426 0.773 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NN=c2cc(Cl)[nH]c(N)n2)C1 ZINC000189347989 670114089 /nfs/dbraw/zinc/11/40/89/670114089.db2.gz VGRXODTXNOHKRF-SSDOTTSWSA-N 0 0 320.806 0.605 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192029966 670119401 /nfs/dbraw/zinc/11/94/01/670119401.db2.gz HLRGBOKTVOLJCI-QWRGUYRKSA-N 0 0 302.396 0.096 10 0 DCAERN C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000189869019 670170796 /nfs/dbraw/zinc/17/07/96/670170796.db2.gz CPGWWUIICHDXJD-UVMWJGKXSA-N 0 0 305.309 0.975 10 0 DCAERN Cc1ccc(F)c(C(=O)NCC2(S(N)(=O)=O)CC2)c1F ZINC000713980029 670173101 /nfs/dbraw/zinc/17/31/01/670173101.db2.gz MLAFZXKPPZUAMA-UHFFFAOYSA-N 0 0 304.318 0.824 10 0 DCAERN COc1cccc(C(=O)NCC2(S(N)(=O)=O)CC2)c1F ZINC000714002994 670173852 /nfs/dbraw/zinc/17/38/52/670173852.db2.gz QYKAPDFBHFLWJY-UHFFFAOYSA-N 0 0 302.327 0.385 10 0 DCAERN Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000714259225 670182624 /nfs/dbraw/zinc/18/26/24/670182624.db2.gz RLOLOTKYEFUNAL-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714303656 670183311 /nfs/dbraw/zinc/18/33/11/670183311.db2.gz VQVJSMBKVFTYTG-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000714308264 670184182 /nfs/dbraw/zinc/18/41/82/670184182.db2.gz IHPYTYBKCYFVDC-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Br)cn2C)C1 ZINC000714461554 670189111 /nfs/dbraw/zinc/18/91/11/670189111.db2.gz YFQPAVRTADFHGU-UHFFFAOYSA-N 0 0 317.139 0.148 10 0 DCAERN COC(=O)C1(O)CN(Cc2c(Br)c(C)nn2C)C1 ZINC000714490405 670190479 /nfs/dbraw/zinc/19/04/79/670190479.db2.gz IUQVANHHDMLGIZ-UHFFFAOYSA-N 0 0 318.171 0.211 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ccns1 ZINC000715925698 670226317 /nfs/dbraw/zinc/22/63/17/670226317.db2.gz GHUGCEUVCZCFFD-QMMMGPOBSA-N 0 0 307.397 0.533 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCCC12OCCO2 ZINC000715936968 670226364 /nfs/dbraw/zinc/22/63/64/670226364.db2.gz GPOJIUVHFKJGRH-SECBINFHSA-N 0 0 321.786 0.647 10 0 DCAERN CCO[C@@H]1C[C@H]1COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000193257387 670257659 /nfs/dbraw/zinc/25/76/59/670257659.db2.gz HPZNIPUBXRDZKZ-CYLBZQBVSA-N 0 0 308.334 0.065 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000193411784 670280002 /nfs/dbraw/zinc/28/00/02/670280002.db2.gz JORYKJDSLMGAKA-CYBMUJFWSA-N 0 0 322.409 0.799 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)NC[C@@H]1CCCC[C@@H]1O ZINC000077159601 670347420 /nfs/dbraw/zinc/34/74/20/670347420.db2.gz PEJYFURDWNTQGE-IUCAKERBSA-N 0 0 312.288 0.942 10 0 DCAERN CNC(=O)[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(C)C ZINC000194057714 670395702 /nfs/dbraw/zinc/39/57/02/670395702.db2.gz VNSBZHVCQJJKMK-VIIAAUOXSA-N 0 0 303.362 0.686 10 0 DCAERN Cn1cc(CN2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)nn1 ZINC000818187192 670986500 /nfs/dbraw/zinc/98/65/00/670986500.db2.gz FOWVHLHPYLKPFL-OAHLLOKOSA-N 0 0 318.381 0.645 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116257486 671030493 /nfs/dbraw/zinc/03/04/93/671030493.db2.gz UJZGJAVPTPVZHM-GFCCVEGCSA-N 0 0 305.382 0.840 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(C)nn2)cn1 ZINC000818597565 671033828 /nfs/dbraw/zinc/03/38/28/671033828.db2.gz YHVQTSQWRKHIJC-UONOGXRCSA-N 0 0 317.349 0.578 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cnn(C)c2)cn1 ZINC000818602051 671035189 /nfs/dbraw/zinc/03/51/89/671035189.db2.gz WABLTKXVDIWSTA-UONOGXRCSA-N 0 0 319.365 0.142 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)C[C@H](C)OC)CC2)n1 ZINC000105820119 672235653 /nfs/dbraw/zinc/23/56/53/672235653.db2.gz QHDQEVXVJXYLLS-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN CC(=O)CCN1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000106171127 672295939 /nfs/dbraw/zinc/29/59/39/672295939.db2.gz ZARDSIHQKFMZCA-UHFFFAOYSA-N 0 0 302.382 0.773 10 0 DCAERN NC(=O)COC(=O)c1c(N)cccc1I ZINC000389898159 685258229 /nfs/dbraw/zinc/25/82/29/685258229.db2.gz BKXBIMUSGZXCOB-UHFFFAOYSA-N 0 0 320.086 0.516 10 0 DCAERN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)S(N)(=O)=O ZINC000398394665 685274395 /nfs/dbraw/zinc/27/43/95/685274395.db2.gz YHKKQKSDNSXRMY-LURJTMIESA-N 0 0 321.742 0.655 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000399158724 685275189 /nfs/dbraw/zinc/27/51/89/685275189.db2.gz CFZOJJQHUPAGFL-MXWKQRLJSA-N 0 0 307.437 0.279 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)N(C)C(C)C)CC1 ZINC000492308136 685295273 /nfs/dbraw/zinc/29/52/73/685295273.db2.gz AZPCGQUHAIBZIE-UHFFFAOYSA-N 0 0 321.443 0.141 10 0 DCAERN COc1ncc(Cl)c(NC[C@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721218470 685318503 /nfs/dbraw/zinc/31/85/03/685318503.db2.gz IHTCDOQIGZNEOZ-LLVKDONJSA-N 0 0 321.786 0.754 10 0 DCAERN CC(C)(O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000721812867 685318791 /nfs/dbraw/zinc/31/87/91/685318791.db2.gz SMZWRMVFFZYRQH-MNOVXSKESA-N 0 0 304.412 0.030 10 0 DCAERN COC(=O)c1nc(C(=O)NC[C@]2(OC)CCOC2)cs1 ZINC000721424740 685319229 /nfs/dbraw/zinc/31/92/29/685319229.db2.gz XVFUTYRGFDXNKZ-GFCCVEGCSA-N 0 0 300.336 0.465 10 0 DCAERN Cc1nnc(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1N ZINC000053380155 685060198 /nfs/dbraw/zinc/06/01/98/685060198.db2.gz MLLFEAQTLCEWIJ-WDEREUQCSA-N 0 0 311.411 0.562 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H](C)C1 ZINC000065296719 685062959 /nfs/dbraw/zinc/06/29/59/685062959.db2.gz PLTUANHBQXAMTL-KBPBESRZSA-N 0 0 311.426 0.567 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1cnc(Br)cn1 ZINC000089917149 685102167 /nfs/dbraw/zinc/10/21/67/685102167.db2.gz ZMOBRJUWGHDJBS-UHFFFAOYSA-N 0 0 317.143 0.282 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)OCCN3CCCC3=O)cnc12 ZINC000091090514 685103339 /nfs/dbraw/zinc/10/33/39/685103339.db2.gz PAIDIEVWCXWZQZ-UHFFFAOYSA-N 0 0 315.329 0.782 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000091414201 685104599 /nfs/dbraw/zinc/10/45/99/685104599.db2.gz OIKFFOKLSVIZPR-UHFFFAOYSA-N 0 0 310.741 0.268 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000384886186 685245771 /nfs/dbraw/zinc/24/57/71/685245771.db2.gz JSSHOSFTFKXGIC-OUAUKWLOSA-N 0 0 307.437 0.279 10 0 DCAERN O=C(NCCn1cc(Br)cn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385870217 685248424 /nfs/dbraw/zinc/24/84/24/685248424.db2.gz ZAWZAUICJJVUNX-MYJAWHEDSA-N 0 0 300.156 0.654 10 0 DCAERN COCCNC(=O)CNC(=O)c1sc2ncccc2c1N ZINC000167866128 1157767277 /nfs/dbraw/zinc/76/72/77/1157767277.db2.gz MOPUZJJHSIZFFK-UHFFFAOYSA-N 0 0 308.363 0.371 10 0 DCAERN CC(=O)c1ccc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000388086645 1157938789 /nfs/dbraw/zinc/93/87/89/1157938789.db2.gz KYTBYYQVQSXGHS-AOOOYVTPSA-N 0 0 303.274 0.506 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000040217181 1157994259 /nfs/dbraw/zinc/99/42/59/1157994259.db2.gz PKLVFTVRMDWJTK-UHFFFAOYSA-N 0 0 320.321 0.318 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC2([S@@](C)=O)CC2)on1 ZINC000380073727 1157997161 /nfs/dbraw/zinc/99/71/61/1157997161.db2.gz PHWISYGVVMUWML-HXUWFJFHSA-N 0 0 300.336 0.492 10 0 DCAERN Nc1cc(Br)ccc1C(=O)NC[C@]1(O)CCOC1 ZINC000227151142 1158268258 /nfs/dbraw/zinc/26/82/58/1158268258.db2.gz KMMMJSZJBWHWGI-GFCCVEGCSA-N 0 0 315.167 0.913 10 0 DCAERN N#Cc1csc(CNCc2cccc(S(N)(=O)=O)c2)n1 ZINC000385994082 1158294938 /nfs/dbraw/zinc/29/49/38/1158294938.db2.gz BJKCKIGFRWONRY-UHFFFAOYSA-N 0 0 308.388 0.952 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2cc(C)oc2C)CC1 ZINC000055006504 1171863207 /nfs/dbraw/zinc/86/32/07/1171863207.db2.gz CYUSSSZNZBHCGA-UHFFFAOYSA-N 0 0 307.350 0.317 10 0 DCAERN O=C(CN1C(=O)CNC1=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000065883130 1173750074 /nfs/dbraw/zinc/75/00/74/1173750074.db2.gz UVMRDQJPIVLNBS-NSHDSACASA-N 0 0 307.737 0.995 10 0 DCAERN CCNc1ncc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1Cl ZINC000090020867 1175371032 /nfs/dbraw/zinc/37/10/32/1175371032.db2.gz DHFXNDOTPYXZMX-VIFPVBQESA-N 0 0 310.741 0.702 10 0 DCAERN CC(CO)(CO)NC(=O)c1ccc(Br)cc1N ZINC000125895907 1177201702 /nfs/dbraw/zinc/20/17/02/1177201702.db2.gz HRFFFZATQHDHDM-UHFFFAOYSA-N 0 0 303.156 0.504 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2cnn(C)c2)CC1 ZINC000158315757 1180563546 /nfs/dbraw/zinc/56/35/46/1180563546.db2.gz VLXOLHKYKSTJQI-UHFFFAOYSA-N 0 0 308.382 0.106 10 0 DCAERN Cc1noc([C@@H](NC(=O)NCCNC(=O)C2CC2)C(C)C)n1 ZINC000171915775 1183792432 /nfs/dbraw/zinc/79/24/32/1183792432.db2.gz CITRDQABSZTDJL-NSHDSACASA-N 0 0 309.370 0.901 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000175781569 1184113927 /nfs/dbraw/zinc/11/39/27/1184113927.db2.gz WKOHCIUFHUEOIK-JTQLQIEISA-N 0 0 311.407 0.390 10 0 DCAERN Cn1cc(C(=O)C(=O)NC2(C(=O)NCC3CC3)CCCC2)cn1 ZINC000177419272 1184227494 /nfs/dbraw/zinc/22/74/94/1184227494.db2.gz AKFRFTGPZAVJBF-UHFFFAOYSA-N 0 0 318.377 0.558 10 0 DCAERN CN(C(=O)Cn1nnc2ccccc21)C1(C(N)=O)CCCC1 ZINC000182386975 1185187820 /nfs/dbraw/zinc/18/78/20/1185187820.db2.gz ABMYYFDTAJOZHB-UHFFFAOYSA-N 0 0 301.350 0.688 10 0 DCAERN Cc1cc(=O)n2nc(CN3CCO[C@@]4(CCOC4)C3)sc2n1 ZINC000185171008 1187241764 /nfs/dbraw/zinc/24/17/64/1187241764.db2.gz XKNJLWHEWMJHEJ-AWEZNQCLSA-N 0 0 322.390 0.451 10 0 DCAERN CN(CCCn1ccnc1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186746594 1187415782 /nfs/dbraw/zinc/41/57/82/1187415782.db2.gz NYCXDCSCLDAYHU-UHFFFAOYSA-N 0 0 312.333 0.677 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1cc(F)c(F)cc1F ZINC000187232747 1187467457 /nfs/dbraw/zinc/46/74/57/1187467457.db2.gz UTZCOOGORLWFPW-PELKAZGASA-N 0 0 317.263 0.781 10 0 DCAERN O=C(Cc1cncs1)NCCNC(=O)c1ccccc1O ZINC000187402968 1187490557 /nfs/dbraw/zinc/49/05/57/1187490557.db2.gz IURJBTMNBVLUHV-UHFFFAOYSA-N 0 0 305.359 0.937 10 0 DCAERN CCOC(=O)N1CC[C@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC000187496235 1187497175 /nfs/dbraw/zinc/49/71/75/1187497175.db2.gz TYEAKHSSLMJHKP-NSHDSACASA-N 0 0 317.349 0.778 10 0 DCAERN O=C(NCCNC(=O)c1ccc2c(c1)NC(=O)C2)c1cccnc1 ZINC000188305272 1187621688 /nfs/dbraw/zinc/62/16/88/1187621688.db2.gz DFGMIBOMMGDDSK-UHFFFAOYSA-N 0 0 324.340 0.736 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2ccccc2F)CC1 ZINC000198231315 1188318039 /nfs/dbraw/zinc/31/80/39/1188318039.db2.gz OKAJGFOYJCLTGV-UHFFFAOYSA-N 0 0 321.352 0.683 10 0 DCAERN COCCCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307904192 1190385385 /nfs/dbraw/zinc/38/53/85/1190385385.db2.gz MRLBDSGQUAZBQU-UHFFFAOYSA-N 0 0 300.380 0.829 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000313340500 1190395973 /nfs/dbraw/zinc/39/59/73/1190395973.db2.gz MKJLJAOQSNZWEF-LLVKDONJSA-N 0 0 304.412 0.030 10 0 DCAERN CC[C@](C)(CNC(=O)Cc1ccc(S(N)(=O)=O)s1)OC ZINC000323138754 1190445630 /nfs/dbraw/zinc/44/56/30/1190445630.db2.gz IOMHEECWOQELBI-GFCCVEGCSA-N 0 0 320.436 0.869 10 0 DCAERN COC[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000381055627 1190698958 /nfs/dbraw/zinc/69/89/58/1190698958.db2.gz IKZZAIDMBQTOHL-MRXNPFEDSA-N 0 0 306.362 0.726 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CNC(C)(C)CC(N)=O ZINC000588445604 747304307 /nfs/dbraw/zinc/30/43/07/747304307.db2.gz GRIUYMJLCPQFKL-JTQLQIEISA-N 0 0 307.398 0.458 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2cccnc2F)C[C@H](CO)O1 ZINC000401805950 774066715 /nfs/dbraw/zinc/06/67/15/774066715.db2.gz BVDLUMVXWLJLLO-SECBINFHSA-N 0 0 304.343 0.381 10 0 DCAERN O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000170342046 947817943 /nfs/dbraw/zinc/81/79/43/947817943.db2.gz ITELNZDZDAUTFX-RYUDHWBXSA-N 0 0 320.345 0.238 10 0 DCAERN C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000823771414 955528869 /nfs/dbraw/zinc/52/88/69/955528869.db2.gz DCLJEJHVQLYBBZ-UONOGXRCSA-N 0 0 319.361 0.715 10 0 DCAERN C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694172716 976674934 /nfs/dbraw/zinc/67/49/34/976674934.db2.gz PCVBFEHWPMKDKU-SECBINFHSA-N 0 0 302.352 0.598 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000286565140 219056867 /nfs/dbraw/zinc/05/68/67/219056867.db2.gz SQXBFJDMYHUUFO-CYBMUJFWSA-N 0 0 314.794 0.881 10 0 DCAERN CN(C)S(=O)(=O)CCN1CCCC[C@@H]1c1ccnn1C ZINC000367151343 282155773 /nfs/dbraw/zinc/15/57/73/282155773.db2.gz OQEKIBGCXFYUGS-CYBMUJFWSA-N 0 0 300.428 0.839 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2csc(Br)c2)C1 ZINC000278777407 214394566 /nfs/dbraw/zinc/39/45/66/214394566.db2.gz YQLAPHYOQOQLJR-JTQLQIEISA-N 0 0 319.180 0.573 10 0 DCAERN O=C(COc1cccc(F)c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000322851445 231214094 /nfs/dbraw/zinc/21/40/94/231214094.db2.gz POGMOXQTSKWNMI-HNNXBMFYSA-N 0 0 321.308 0.405 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccn(C)c(=O)c1 ZINC000088198055 185241661 /nfs/dbraw/zinc/24/16/61/185241661.db2.gz XXCYROUBKHOEGD-NSHDSACASA-N 0 0 301.350 0.804 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@H](C(=O)NC)C1 ZINC000408397051 529595277 /nfs/dbraw/zinc/59/52/77/529595277.db2.gz SDXSSCUTGPBCMN-JTQLQIEISA-N 0 0 300.384 0.050 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000176284083 282212366 /nfs/dbraw/zinc/21/23/66/282212366.db2.gz FJWWGNODHUXBJY-KGLIPLIRSA-N 0 0 319.409 0.986 10 0 DCAERN CCCn1cc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000181311610 199280518 /nfs/dbraw/zinc/28/05/18/199280518.db2.gz BADNRYHLQONUAJ-CQSZACIVSA-N 0 0 322.409 0.906 10 0 DCAERN Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000181441409 199298185 /nfs/dbraw/zinc/29/81/85/199298185.db2.gz AOBBQHHTFGLOBF-CHWSQXEVSA-N 0 0 318.416 0.376 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCc2c[nH]nc2C)CC1 ZINC000181527268 199311447 /nfs/dbraw/zinc/31/14/47/199311447.db2.gz FUXJFAMCSKQYMK-HNNXBMFYSA-N 0 0 323.441 0.749 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCC1(CCO)CC1 ZINC000187752796 529767904 /nfs/dbraw/zinc/76/79/04/529767904.db2.gz DHGPARMMBGZYIU-UHFFFAOYSA-N 0 0 310.398 0.953 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 ZINC000017356493 190643229 /nfs/dbraw/zinc/64/32/29/190643229.db2.gz MAOFWJMZQHSBII-JTQLQIEISA-N 0 0 307.375 0.736 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C)ccc1F)C(C)C ZINC000179078056 529918596 /nfs/dbraw/zinc/91/85/96/529918596.db2.gz PGLVFEGLEYIFJM-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000178452280 529919878 /nfs/dbraw/zinc/91/98/78/529919878.db2.gz DTADHRKKCYJPRD-CMPLNLGQSA-N 0 0 322.413 0.745 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000102860638 185423756 /nfs/dbraw/zinc/42/37/56/185423756.db2.gz BJFCINUHFOIZSB-NSHDSACASA-N 0 0 321.358 0.991 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000178697033 529904033 /nfs/dbraw/zinc/90/40/33/529904033.db2.gz QPDUDRPLFVQFEK-QMMMGPOBSA-N 0 0 318.786 0.216 10 0 DCAERN CCc1nc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)cs1 ZINC000107616540 185485863 /nfs/dbraw/zinc/48/58/63/185485863.db2.gz HUQKFICPHSKZBA-UHFFFAOYSA-N 0 0 310.379 0.652 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N(C)CC(F)(F)F ZINC000408149243 295742326 /nfs/dbraw/zinc/74/23/26/295742326.db2.gz JTTAWZSNADAUME-BDAKNGLRSA-N 0 0 316.345 0.515 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(=O)N(C3CC3)C2)cn1 ZINC000279702401 215075474 /nfs/dbraw/zinc/07/54/74/215075474.db2.gz WJUDLHASLXKLTF-DZGCQCFKSA-N 0 0 318.377 0.771 10 0 DCAERN NC(=O)c1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cn1 ZINC000123830088 185846379 /nfs/dbraw/zinc/84/63/79/185846379.db2.gz KOFVREYBTYDGHZ-GFCCVEGCSA-N 0 0 315.333 0.808 10 0 DCAERN Cn1c2ccc(NC(=O)[C@]3(C)CCC(=O)NC3)cc2n(C)c1=O ZINC000281861313 282598667 /nfs/dbraw/zinc/59/86/67/282598667.db2.gz MUKOCXDKWSWPDI-MRXNPFEDSA-N 0 0 316.361 0.732 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1 ZINC000150711706 186058845 /nfs/dbraw/zinc/05/88/45/186058845.db2.gz PMISRBXHEWLACR-JTQLQIEISA-N 0 0 305.382 0.359 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1ccc2ccccc2c1=O ZINC000287128331 219330708 /nfs/dbraw/zinc/33/07/08/219330708.db2.gz YKJMZUIPPBZWHD-YPMHNXCESA-N 0 0 317.320 0.426 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@H]1CCCO1 ZINC000171183561 197893226 /nfs/dbraw/zinc/89/32/26/197893226.db2.gz PTTZXRZISTYFRM-QWHCGFSZSA-N 0 0 305.382 0.876 10 0 DCAERN Cc1nc(CNC(=O)NC[C@@H](O)COc2ccc(F)cc2)no1 ZINC000175696958 186189682 /nfs/dbraw/zinc/18/96/82/186189682.db2.gz VUEBMPNDJFMCAQ-LLVKDONJSA-N 0 0 324.312 0.756 10 0 DCAERN CCCn1c(C)cc(C(=O)CN2CCOC[C@H]2C(N)=O)c1C ZINC000179722810 186210018 /nfs/dbraw/zinc/21/00/18/186210018.db2.gz OMNAJOGMTJSNNX-AWEZNQCLSA-N 0 0 307.394 0.884 10 0 DCAERN Cc1sc2[nH]c(CN3CCOC[C@@H]3C(N)=O)nc(=O)c2c1C ZINC000179724006 186210781 /nfs/dbraw/zinc/21/07/81/186210781.db2.gz KZGFGCGGWWIAGA-SECBINFHSA-N 0 0 322.390 0.288 10 0 DCAERN O=S(=O)(NCCOCCO)c1ccc(C(F)(F)F)nc1 ZINC000182032238 199377163 /nfs/dbraw/zinc/37/71/63/199377163.db2.gz UAEKOXYMLILLTJ-UHFFFAOYSA-N 0 0 314.285 0.388 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCCOC3)cc12 ZINC000171540459 197938205 /nfs/dbraw/zinc/93/82/05/197938205.db2.gz ALFGLHHBZWXURM-JTQLQIEISA-N 0 0 310.379 0.734 10 0 DCAERN O=C(c1cn[nH]c1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171558628 197941439 /nfs/dbraw/zinc/94/14/39/197941439.db2.gz XOOCNOJGROVURE-HNNXBMFYSA-N 0 0 300.362 0.901 10 0 DCAERN O=C(CN1CCC[C@H](n2cncn2)C1)NCc1cccnc1 ZINC000171930498 198009867 /nfs/dbraw/zinc/00/98/67/198009867.db2.gz FNWQRJCQVRKUFX-AWEZNQCLSA-N 0 0 300.366 0.626 10 0 DCAERN COC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000172101485 198039447 /nfs/dbraw/zinc/03/94/47/198039447.db2.gz ASSKGEGUZUZLBQ-LLVKDONJSA-N 0 0 312.391 0.833 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172178543 198052782 /nfs/dbraw/zinc/05/27/82/198052782.db2.gz VCEDIMKHVLBRKN-CHWSQXEVSA-N 0 0 319.409 0.930 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000172237001 198063257 /nfs/dbraw/zinc/06/32/57/198063257.db2.gz QDJQNEDEMPATJS-SNVBAGLBSA-N 0 0 320.324 0.837 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000172551048 198114024 /nfs/dbraw/zinc/11/40/24/198114024.db2.gz YKGWOHYDXRNFNP-UHFFFAOYSA-N 0 0 307.398 0.787 10 0 DCAERN Cc1nc2nc(C)c3c(ccn(-n4c(C)nnc4C)c3=O)n2n1 ZINC000072449462 191170164 /nfs/dbraw/zinc/17/01/64/191170164.db2.gz YASHFSYMWJXTCF-UHFFFAOYSA-N 0 0 310.321 0.576 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(C)(C)OC)CC2 ZINC000172674875 198135187 /nfs/dbraw/zinc/13/51/87/198135187.db2.gz LRMXEUZDJZEWLE-UHFFFAOYSA-N 0 0 312.391 0.909 10 0 DCAERN Cn1cc(NC(=O)CCOCc2ccccc2)c(=O)n(C)c1=O ZINC000173087930 198183705 /nfs/dbraw/zinc/18/37/05/198183705.db2.gz HGOLZDBLEMKGPV-UHFFFAOYSA-N 0 0 317.345 0.629 10 0 DCAERN CC(C)(NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(N)=O ZINC000173034559 198179426 /nfs/dbraw/zinc/17/94/26/198179426.db2.gz IAEQNVQQKGRAFW-MNOVXSKESA-N 0 0 304.346 0.941 10 0 DCAERN Cn1nccc1CNC(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000173135544 198187316 /nfs/dbraw/zinc/18/73/16/198187316.db2.gz KQSKHWBMLCSNAB-UHFFFAOYSA-N 0 0 317.349 0.996 10 0 DCAERN O=C(N[C@H]1CCCOC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000173163000 198191221 /nfs/dbraw/zinc/19/12/21/198191221.db2.gz HMICWULNWOSQMK-KGLIPLIRSA-N 0 0 316.357 0.801 10 0 DCAERN CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000072974393 191260037 /nfs/dbraw/zinc/26/00/37/191260037.db2.gz JJGKEOUBCDLZST-LBPRGKRZSA-N 0 0 318.377 0.905 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnns2)ncn1 ZINC000173431745 198214205 /nfs/dbraw/zinc/21/42/05/198214205.db2.gz ZILYMAYLKPLZJU-SECBINFHSA-N 0 0 319.394 0.769 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnccn2)ncn1 ZINC000173443101 198215418 /nfs/dbraw/zinc/21/54/18/198215418.db2.gz GRHLFPOMFBSDSS-NSHDSACASA-N 0 0 313.365 0.707 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000173476879 198218097 /nfs/dbraw/zinc/21/80/97/198218097.db2.gz KGWXAVIMKLZBLV-MFKMUULPSA-N 0 0 324.402 0.687 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000173391464 198210160 /nfs/dbraw/zinc/21/01/60/198210160.db2.gz RFAXQIFRCHEFLQ-YGRLFVJLSA-N 0 0 306.410 0.953 10 0 DCAERN Cc1nc(CNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)no1 ZINC000173562428 198227469 /nfs/dbraw/zinc/22/74/69/198227469.db2.gz HXJDNOXLHCYOGL-UHFFFAOYSA-N 0 0 309.370 0.778 10 0 DCAERN COCCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000173835202 198258857 /nfs/dbraw/zinc/25/88/57/198258857.db2.gz BJBXCJHJZWXCJO-UHFFFAOYSA-N 0 0 319.405 0.978 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(C)nn(C)c1C ZINC000174052055 198286078 /nfs/dbraw/zinc/28/60/78/198286078.db2.gz ZRYSZDDNULACRL-GFCCVEGCSA-N 0 0 310.423 0.965 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000175952935 198529110 /nfs/dbraw/zinc/52/91/10/198529110.db2.gz VEQPYBZCJVYAEU-LLVKDONJSA-N 0 0 315.333 0.983 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)C(=O)NC3CCC4(CC4)CC3)C[C@@H]21 ZINC000422347490 283000586 /nfs/dbraw/zinc/00/05/86/283000586.db2.gz DUSYMLFXIPFTDW-UONOGXRCSA-N 0 0 321.421 0.367 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000073246858 191296179 /nfs/dbraw/zinc/29/61/79/191296179.db2.gz MZRJCSXWYCCXHI-UHFFFAOYSA-N 0 0 304.350 0.469 10 0 DCAERN CC(C)(O)C1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000275763881 535276257 /nfs/dbraw/zinc/27/62/57/535276257.db2.gz SDOXGVJKPNOYFU-ZDUSSCGKSA-N 0 0 319.409 0.858 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H](n2cncn2)C1)NCC1CC1 ZINC000183793183 199643936 /nfs/dbraw/zinc/64/39/36/199643936.db2.gz SJVOPLCNBZTBPU-GFCCVEGCSA-N 0 0 306.370 0.151 10 0 DCAERN COc1cc(S(=O)(=O)CCO)c(OC)cc1NC(C)=O ZINC000005160585 181211748 /nfs/dbraw/zinc/21/17/48/181211748.db2.gz OVVZJBVGJCOWFB-UHFFFAOYSA-N 0 0 303.336 0.428 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000081168736 192233346 /nfs/dbraw/zinc/23/33/46/192233346.db2.gz UDJWMZPVINXZFJ-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2F)C1 ZINC000272263863 209645445 /nfs/dbraw/zinc/64/54/45/209645445.db2.gz QWVVIQUWXSSVPK-QMMMGPOBSA-N 0 0 302.327 0.295 10 0 DCAERN C[C@](NC(=O)[C@H]1CNC(=O)C1)(C(N)=O)c1cccc(Cl)c1 ZINC000178153384 198823079 /nfs/dbraw/zinc/82/30/79/198823079.db2.gz HSWSASHAIKVUBV-XLKFXECMSA-N 0 0 309.753 0.293 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@H](C)C1 ZINC000407963682 290538997 /nfs/dbraw/zinc/53/89/97/290538997.db2.gz QSJLLJGTNSOYEX-NWDGAFQWSA-N 0 0 303.366 0.786 10 0 DCAERN CCC[C@H](CCO)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178825691 198937587 /nfs/dbraw/zinc/93/75/87/198937587.db2.gz XDQISQLEIIRUBU-LLVKDONJSA-N 0 0 314.407 0.863 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1nc2ccccc2n1C ZINC000179223952 199001330 /nfs/dbraw/zinc/00/13/30/199001330.db2.gz DHDKCUOYUGZMOQ-ZDUSSCGKSA-N 0 0 315.377 0.993 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCCC[C@H]1CO ZINC000179236017 199003592 /nfs/dbraw/zinc/00/35/92/199003592.db2.gz VJSIZLZMJPYOKF-FZMZJTMJSA-N 0 0 316.357 0.950 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(CO)c(F)c1 ZINC000179267582 199007465 /nfs/dbraw/zinc/00/74/65/199007465.db2.gz GIMDTHJDXAPJJA-ZDUSSCGKSA-N 0 0 309.341 0.738 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000179625473 199066490 /nfs/dbraw/zinc/06/64/90/199066490.db2.gz QDYUMHKDNOSRTD-LBPRGKRZSA-N 0 0 303.362 0.694 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000091778757 283328548 /nfs/dbraw/zinc/32/85/48/283328548.db2.gz VOVYWLWGFJZFAY-AWEZNQCLSA-N 0 0 317.320 0.943 10 0 DCAERN Cc1cccc(C)c1CC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000180164339 199124697 /nfs/dbraw/zinc/12/46/97/199124697.db2.gz ZOKVKCWNJZMEPK-UHFFFAOYSA-N 0 0 324.446 0.693 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(C)(C)C)cc1 ZINC000180374931 199151351 /nfs/dbraw/zinc/15/13/51/199151351.db2.gz ITFIFCYOUMKXON-GFCCVEGCSA-N 0 0 314.407 0.732 10 0 DCAERN O=C(NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CCCc2n[nH]cc21 ZINC000180819303 199213746 /nfs/dbraw/zinc/21/37/46/199213746.db2.gz IVTAVSIFWDLNFY-NWDGAFQWSA-N 0 0 321.377 0.868 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181112075 199253939 /nfs/dbraw/zinc/25/39/39/199253939.db2.gz WPRNRAMOGPDEEN-DIFFPNOSSA-N 0 0 317.389 0.597 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000128081915 236963183 /nfs/dbraw/zinc/96/31/83/236963183.db2.gz UANYUMNILVASRM-VIFPVBQESA-N 0 0 315.395 0.651 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000131168278 236972831 /nfs/dbraw/zinc/97/28/31/236972831.db2.gz WEUGWJIDVCQBKQ-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000162360251 237106420 /nfs/dbraw/zinc/10/64/20/237106420.db2.gz AJYKENFIDJYQRR-MFKMUULPSA-N 0 0 318.377 0.690 10 0 DCAERN C[S@@](=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000163847685 237113490 /nfs/dbraw/zinc/11/34/90/237113490.db2.gz HCHCDYKUCBURHT-SFHVURJKSA-N 0 0 304.393 0.413 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000172752878 237153224 /nfs/dbraw/zinc/15/32/24/237153224.db2.gz GBPXGGBKYVDZFM-JTQLQIEISA-N 0 0 323.780 0.886 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCN2CCOCC2(C)C)C1 ZINC000170885282 237130235 /nfs/dbraw/zinc/13/02/35/237130235.db2.gz BUFRESZJSMOSGM-ZDUSSCGKSA-N 0 0 319.471 0.664 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCOC1)N1C(=O)c2ccccc2C1=O ZINC000171701284 237137731 /nfs/dbraw/zinc/13/77/31/237137731.db2.gz JOONFDQDDGTAJC-MNOVXSKESA-N 0 0 302.330 0.966 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)o1 ZINC000187344971 200099138 /nfs/dbraw/zinc/09/91/38/200099138.db2.gz WZCBKICBCLAXOA-SECBINFHSA-N 0 0 316.379 0.875 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186828156 237323942 /nfs/dbraw/zinc/32/39/42/237323942.db2.gz ZVMAXWZGUCVXDY-LBPRGKRZSA-N 0 0 303.362 0.414 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000188085323 237365572 /nfs/dbraw/zinc/36/55/72/237365572.db2.gz GFMRMZKDNCZKOC-ZDUSSCGKSA-N 0 0 319.471 0.664 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CCN1CCO ZINC000187648718 200140009 /nfs/dbraw/zinc/14/00/09/200140009.db2.gz MSJWZSPFGUSBNZ-NSHDSACASA-N 0 0 313.348 0.902 10 0 DCAERN C[C@H](NC(=O)NCc1cc(C(N)=O)co1)[C@H](C)N1CCOCC1 ZINC000187033233 237339400 /nfs/dbraw/zinc/33/94/00/237339400.db2.gz DBDKAJZEXHXXKZ-QWRGUYRKSA-N 0 0 324.381 0.287 10 0 DCAERN CCn1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)ccc1=O ZINC000187131953 237341271 /nfs/dbraw/zinc/34/12/71/237341271.db2.gz NCDMLWZAXCKBDK-GFCCVEGCSA-N 0 0 308.382 0.399 10 0 DCAERN Cc1ccccc1CNC(=O)[C@@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187724094 200149697 /nfs/dbraw/zinc/14/96/97/200149697.db2.gz SIDPHEBNRAZXBK-HZPDHXFCSA-N 0 0 319.449 0.998 10 0 DCAERN Cc1ccsc1CNC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187726369 200150101 /nfs/dbraw/zinc/15/01/01/200150101.db2.gz WJWBFYDBAOVLAR-CYBMUJFWSA-N 0 0 311.451 0.671 10 0 DCAERN CC[C@@H]1CN(CC(=O)NC2CCOCC2)CCN1CC(F)F ZINC000153686594 291208345 /nfs/dbraw/zinc/20/83/45/291208345.db2.gz WMDAZYPJRSUYDL-CYBMUJFWSA-N 0 0 319.396 0.943 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000154979084 291217409 /nfs/dbraw/zinc/21/74/09/291217409.db2.gz ZECQTAHWFCMPNC-HAQNSBGRSA-N 0 0 308.382 0.899 10 0 DCAERN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000155287637 291219235 /nfs/dbraw/zinc/21/92/35/291219235.db2.gz KNVYNHBLLKCCAX-OLZOCXBDSA-N 0 0 320.455 0.978 10 0 DCAERN CC[C@@H]1CCCCC[N@@H+]1CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000156175229 291223814 /nfs/dbraw/zinc/22/38/14/291223814.db2.gz JTMRRWJGDWQGGH-LLVKDONJSA-N 0 0 322.409 0.976 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cccc(-c2nc[nH]n2)c1 ZINC000156376165 291224282 /nfs/dbraw/zinc/22/42/82/291224282.db2.gz VAUWCXDNLQUXGE-INIZCTEOSA-N 0 0 316.361 0.991 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000157093558 291227423 /nfs/dbraw/zinc/22/74/23/291227423.db2.gz LBPLRBZDHFZJNU-VXNVDRBHSA-N 0 0 304.393 0.232 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049457823 299333760 /nfs/dbraw/zinc/33/37/60/299333760.db2.gz DIADYCILHZDUGW-JGGZEWDASA-N 0 0 300.424 0.961 10 0 DCAERN COc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]CCO)C(=O)[O-] ZINC000006647007 181364697 /nfs/dbraw/zinc/36/46/97/181364697.db2.gz BYBVGHPUYJLZHN-SNVBAGLBSA-N 0 0 316.741 0.712 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000408309760 291341401 /nfs/dbraw/zinc/34/14/01/291341401.db2.gz OSQBCCWZNYSGLH-QJPTWQEYSA-N 0 0 305.396 0.769 10 0 DCAERN COc1cccc(CCNC(=O)NCCCC(=O)N(C)C)n1 ZINC000441249244 240507513 /nfs/dbraw/zinc/50/75/13/240507513.db2.gz XSHYFVAVXFEMSP-UHFFFAOYSA-N 0 0 308.382 0.800 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)CSC2CC2)CC1 ZINC000450784999 240645437 /nfs/dbraw/zinc/64/54/37/240645437.db2.gz MCXJFNAMZRNSET-UHFFFAOYSA-N 0 0 300.424 0.978 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N(C)CC1CC(O)C1 ZINC000091491000 193064318 /nfs/dbraw/zinc/06/43/18/193064318.db2.gz KGFPAGURGKFBOC-UHFFFAOYSA-N 0 0 313.375 0.865 10 0 DCAERN CN(CC1CC(O)C1)C(=O)Cn1cnc2sccc2c1=O ZINC000091490588 193064394 /nfs/dbraw/zinc/06/43/94/193064394.db2.gz VEBUOZWIGAKTPS-UHFFFAOYSA-N 0 0 307.375 0.687 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOCCc1ccccc1 ZINC000091783244 193107378 /nfs/dbraw/zinc/10/73/78/193107378.db2.gz PMXYNNZSOWUGMD-HNNXBMFYSA-N 0 0 320.389 0.739 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783568 193107387 /nfs/dbraw/zinc/10/73/87/193107387.db2.gz IWHRSGNHOPAPID-BXKDBHETSA-N 0 0 312.753 0.820 10 0 DCAERN COc1ccc(CCC(=O)N2CCOC[C@@H]2C(N)=O)cc1F ZINC000091784373 193107866 /nfs/dbraw/zinc/10/78/66/193107866.db2.gz VTSKISXISCXOJU-GFCCVEGCSA-N 0 0 310.325 0.480 10 0 DCAERN CCCc1noc(CCCC(=O)N2CCOC[C@@H]2C(N)=O)n1 ZINC000091783862 193107938 /nfs/dbraw/zinc/10/79/38/193107938.db2.gz XCROZNAYBIEGHP-SNVBAGLBSA-N 0 0 310.354 0.058 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)n1cnc2ccccc21 ZINC000091810836 193111615 /nfs/dbraw/zinc/11/16/15/193111615.db2.gz CAKMFBUYCVKNFG-GXFFZTMASA-N 0 0 302.334 0.310 10 0 DCAERN O=C(NCCSc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000457522290 241010339 /nfs/dbraw/zinc/01/03/39/241010339.db2.gz YYQWKQAJSXYWRX-GFCCVEGCSA-N 0 0 321.406 0.731 10 0 DCAERN COC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246466063 291365211 /nfs/dbraw/zinc/36/52/11/291365211.db2.gz ZKIBYDHTBRQFKJ-HZSPNIEDSA-N 0 0 310.394 0.794 10 0 DCAERN Cn1nnnc1CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000275217735 212203167 /nfs/dbraw/zinc/20/31/67/212203167.db2.gz KMEBCVRWURWZBO-WDEREUQCSA-N 0 0 315.333 0.401 10 0 DCAERN CCN(Cc1cccc(F)c1)C(=O)CN1CCOC[C@H]1C(N)=O ZINC000092230628 193177724 /nfs/dbraw/zinc/17/77/24/193177724.db2.gz FERHRDKVCMFKJM-AWEZNQCLSA-N 0 0 323.368 0.360 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000568344810 291423514 /nfs/dbraw/zinc/42/35/14/291423514.db2.gz ZUDMGKQGIGZRHN-VXGBXAGGSA-N 0 0 319.361 0.746 10 0 DCAERN CC1(C)O[C@@H]2O[C@H]([C@H](O)COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000256014867 202922614 /nfs/dbraw/zinc/92/26/14/202922614.db2.gz YZTNJMSUDMOQJM-NTASLKFISA-N 0 0 324.329 0.442 10 0 DCAERN O=C(N[C@@H]1CCc2ccccc2C1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000333693399 284108195 /nfs/dbraw/zinc/10/81/95/284108195.db2.gz CWRVGTUWHPNUPN-MCIONIFRSA-N 0 0 313.357 0.458 10 0 DCAERN Cc1cccnc1CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000093157850 193210061 /nfs/dbraw/zinc/21/00/61/193210061.db2.gz YYYRJPZFIIBOKW-UHFFFAOYSA-N 0 0 318.421 0.366 10 0 DCAERN CC(C)(C)n1nccc1NC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000093201852 193215264 /nfs/dbraw/zinc/21/52/64/193215264.db2.gz SWCVUERJKRBLRH-UHFFFAOYSA-N 0 0 319.409 0.883 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccnc1-n1cncn1 ZINC000171377684 284161563 /nfs/dbraw/zinc/16/15/63/284161563.db2.gz QMGIRMBYEQIULG-WDEREUQCSA-N 0 0 301.306 0.088 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1CCNC(=O)CC1 ZINC000072525957 284170362 /nfs/dbraw/zinc/17/03/62/284170362.db2.gz NWWRYRGOLMCQHR-QWHCGFSZSA-N 0 0 305.382 0.898 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C[C@@H]1CCCC(=O)N1 ZINC000366020707 284202825 /nfs/dbraw/zinc/20/28/25/284202825.db2.gz WKCQTSZQLNPKRN-ZAZJYDDPSA-N 0 0 308.378 0.845 10 0 DCAERN Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)oc2c1C(=O)CCC2 ZINC000285465622 291505509 /nfs/dbraw/zinc/50/55/09/291505509.db2.gz RAYXSZICVDXBDK-RNCFNFMXSA-N 0 0 320.345 0.822 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c(C)s1 ZINC000264709137 204092205 /nfs/dbraw/zinc/09/22/05/204092205.db2.gz BAWKQTHGYPSPJU-GFCCVEGCSA-N 0 0 317.480 0.889 10 0 DCAERN CC1(CNC(=O)NCC(=O)N2CCc3ccccc3C2)COC1 ZINC000264836364 204194864 /nfs/dbraw/zinc/19/48/64/204194864.db2.gz SWELGXIIBGIQDK-UHFFFAOYSA-N 0 0 317.389 0.907 10 0 DCAERN COC(=O)[C@H](C)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000284599149 284265267 /nfs/dbraw/zinc/26/52/67/284265267.db2.gz AGBNTBZSQWWQQX-DRCTWCGVSA-N 0 0 306.366 0.376 10 0 DCAERN O=C(c1cc(Cl)ccc1F)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856762 296172386 /nfs/dbraw/zinc/17/23/86/296172386.db2.gz XVFUQIHNXMTWKE-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN COCCN1CC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000571745517 291530101 /nfs/dbraw/zinc/53/01/01/291530101.db2.gz PJEJCWHCOYYRHZ-UHFFFAOYSA-N 0 0 319.361 0.938 10 0 DCAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282506932 217049143 /nfs/dbraw/zinc/04/91/43/217049143.db2.gz XPSZREYEUZXOAQ-NSHDSACASA-N 0 0 324.402 0.701 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)CC(=O)N1C ZINC000282577282 217101182 /nfs/dbraw/zinc/10/11/82/217101182.db2.gz GQHMGTGUPTZFMM-SNVBAGLBSA-N 0 0 308.386 0.405 10 0 DCAERN O=C1CCc2cc(S(=O)(=O)N3CC(CO)C3)c(F)cc2N1 ZINC000274809477 211953220 /nfs/dbraw/zinc/95/32/20/211953220.db2.gz STAXWJTYKYKDEM-UHFFFAOYSA-N 0 0 314.338 0.323 10 0 DCAERN Cc1ccc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1C(N)=O ZINC000282661164 217159539 /nfs/dbraw/zinc/15/95/39/217159539.db2.gz GTGSCPQCWOUMLZ-JTQLQIEISA-N 0 0 304.350 0.788 10 0 DCAERN Cc1c(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cnn1C ZINC000119315187 291543150 /nfs/dbraw/zinc/54/31/50/291543150.db2.gz MITNITUDWVHHON-CQSZACIVSA-N 0 0 315.377 0.624 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]2C2CC2)s1 ZINC000572344344 291562420 /nfs/dbraw/zinc/56/24/20/291562420.db2.gz UBAYSNPZYKIEEW-VHSXEESVSA-N 0 0 300.405 0.853 10 0 DCAERN COC(=O)C=C(Nc1cc2c(cc1C=O)OCO2)C(=O)OC ZINC000017161693 182077561 /nfs/dbraw/zinc/07/75/61/182077561.db2.gz HKAYCZZMQFSIFK-YHYXMXQVSA-N 0 0 307.258 0.870 10 0 DCAERN O=C(Nc1nc2c(s1)CCCCC2)C(=O)NC1(CO)CC1 ZINC000572552535 291574846 /nfs/dbraw/zinc/57/48/46/291574846.db2.gz QNOZQBRXAKYTTQ-UHFFFAOYSA-N 0 0 309.391 0.992 10 0 DCAERN CN(CCC(N)=S)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000019834435 182154914 /nfs/dbraw/zinc/15/49/14/182154914.db2.gz RQLXNUFISQXFSF-UHFFFAOYSA-N 0 0 300.405 0.838 10 0 DCAERN COc1ccnc(N[C@@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000572574047 291576117 /nfs/dbraw/zinc/57/61/17/291576117.db2.gz LNMMVFJOBUAWDW-SNVBAGLBSA-N 0 0 302.338 0.826 10 0 DCAERN C[NH+](C)CCCNS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000020009200 182176731 /nfs/dbraw/zinc/17/67/31/182176731.db2.gz VSZMCVJOHKOJNU-UHFFFAOYSA-N 0 0 306.409 0.605 10 0 DCAERN CCCNS(=O)(=O)c1ccc(NC(=O)CC(=O)OC)cc1 ZINC000020113903 182188121 /nfs/dbraw/zinc/18/81/21/182188121.db2.gz HIWSCPDBMATLRF-UHFFFAOYSA-N 0 0 314.363 0.877 10 0 DCAERN NC(=O)NC(=O)COc1ccc(Br)cc1CO ZINC000020298031 182203746 /nfs/dbraw/zinc/20/37/46/182203746.db2.gz JPOLVCDGMJNJSM-UHFFFAOYSA-N 0 0 303.112 0.515 10 0 DCAERN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000021802822 182290748 /nfs/dbraw/zinc/29/07/48/182290748.db2.gz XGKNCOBNVQQQRB-JTQLQIEISA-N 0 0 303.771 0.561 10 0 DCAERN O=C(c1ccc2n[nH]nc2c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744729 296230245 /nfs/dbraw/zinc/23/02/45/296230245.db2.gz LLTFQGSUUZBRLY-GFCCVEGCSA-N 0 0 301.350 0.505 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NCCn1cncn1 ZINC000573266378 291621679 /nfs/dbraw/zinc/62/16/79/291621679.db2.gz JJANKCJESUVVOZ-LBPRGKRZSA-N 0 0 317.349 0.807 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000375557713 291626191 /nfs/dbraw/zinc/62/61/91/291626191.db2.gz NJZONTKBMKYHCE-SFTQSGBHSA-N 0 0 308.378 0.655 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC000276213332 291635164 /nfs/dbraw/zinc/63/51/64/291635164.db2.gz CIHBCSITCOGXEE-SUHUHFCYSA-N 0 0 304.346 0.799 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CCOC1 ZINC000408256058 291636961 /nfs/dbraw/zinc/63/69/61/291636961.db2.gz LILUMAYXOMCZHD-RVMXOQNASA-N 0 0 317.407 0.626 10 0 DCAERN CN(CCCO)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000573666844 291646814 /nfs/dbraw/zinc/64/68/14/291646814.db2.gz ADWPZPUGCWDKDY-UHFFFAOYSA-N 0 0 318.333 0.286 10 0 DCAERN O=C(c1cccc(Cl)c1F)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000127368479 296250540 /nfs/dbraw/zinc/25/05/40/296250540.db2.gz BAUGXAOHWNQWHJ-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NCc2cn[nH]c2)c(F)c1 ZINC000038007211 182960210 /nfs/dbraw/zinc/96/02/10/182960210.db2.gz JAQQSKALUSKEAD-UHFFFAOYSA-N 0 0 312.326 0.986 10 0 DCAERN NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cnc(Cl)c(Cl)c1 ZINC000038106304 182991368 /nfs/dbraw/zinc/99/13/68/182991368.db2.gz QXXFRZATOALQBO-XPUUQOCRSA-N 0 0 304.133 0.449 10 0 DCAERN O=C([O-])[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cnsn2)CC1 ZINC000038042492 182978704 /nfs/dbraw/zinc/97/87/04/182978704.db2.gz RODCAQVLNHFMSD-LLVKDONJSA-N 0 0 310.379 0.692 10 0 DCAERN O=C1C(=O)N(CCOCCO)c2cccc(Br)c21 ZINC000040229120 183047905 /nfs/dbraw/zinc/04/79/05/183047905.db2.gz VCEGCCSRJNRFOO-UHFFFAOYSA-N 0 0 314.135 0.987 10 0 DCAERN C[C@@H](C(=O)Nc1nc2c(s1)CN(C)CC2)N1CCOCC1 ZINC000041573179 183206350 /nfs/dbraw/zinc/20/63/50/183206350.db2.gz BIYOCKPGPKDNNO-JTQLQIEISA-N 0 0 310.423 0.790 10 0 DCAERN C[C@H](CN(C)S(=O)(=O)CCc1ccncc1)C(N)=S ZINC000042457171 183272933 /nfs/dbraw/zinc/27/29/33/183272933.db2.gz VCEBAKQSXIHSEG-SNVBAGLBSA-N 0 0 301.437 0.808 10 0 DCAERN CC(C)N(CCO)S(=O)(=O)c1ccccc1C(N)=S ZINC000042480851 183275504 /nfs/dbraw/zinc/27/55/04/183275504.db2.gz CHFILELJWDZKCQ-UHFFFAOYSA-N 0 0 302.421 0.712 10 0 DCAERN CNS(=O)(=O)c1ccc(NC2CCS(=O)CC2)cc1 ZINC000042353352 183257103 /nfs/dbraw/zinc/25/71/03/183257103.db2.gz HWXGYTJROHPEMS-UHFFFAOYSA-N 0 0 302.421 0.918 10 0 DCAERN CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C[C@@H]4CCCO4)C(=O)[C@@H]13)O2 ZINC000043727066 183384248 /nfs/dbraw/zinc/38/42/48/183384248.db2.gz ODFODHMLWHLQBT-REVBEMBVSA-N 0 0 321.373 0.899 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000408072034 296271683 /nfs/dbraw/zinc/27/16/83/296271683.db2.gz FEFNJCHQBOYSLM-XPABHHOTSA-N 0 0 324.421 0.680 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCNC(=O)c1ccsc1 ZINC000104357302 194000825 /nfs/dbraw/zinc/00/08/25/194000825.db2.gz VZVIJSDOVZGEGY-LLVKDONJSA-N 0 0 309.391 0.605 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2cc(F)ccc2F)C1=O ZINC000104559100 194015711 /nfs/dbraw/zinc/01/57/11/194015711.db2.gz YFXKPASHXULBSB-UHFFFAOYSA-N 0 0 311.288 0.911 10 0 DCAERN CN(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105280183 194093052 /nfs/dbraw/zinc/09/30/52/194093052.db2.gz XFMTTWBPAUHGDT-CQSZACIVSA-N 0 0 320.393 0.841 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000106392594 194205299 /nfs/dbraw/zinc/20/52/99/194205299.db2.gz WCRRVWPPHMMPQX-ZDUSSCGKSA-N 0 0 323.393 0.315 10 0 DCAERN O=C(c1coc(Br)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000176261632 296295424 /nfs/dbraw/zinc/29/54/24/296295424.db2.gz CXXDQEFHSPDGMK-QMMMGPOBSA-N 0 0 314.139 0.892 10 0 DCAERN NC(=S)CNC(=O)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000053158312 183890830 /nfs/dbraw/zinc/89/08/30/183890830.db2.gz GUFONJDRIIVJOX-UHFFFAOYSA-N 0 0 303.746 0.498 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CNC(=O)C2)c1C ZINC000110358006 194325213 /nfs/dbraw/zinc/32/52/13/194325213.db2.gz NOTGKBYWBHDLKE-VIFPVBQESA-N 0 0 311.363 0.025 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000111050351 194387402 /nfs/dbraw/zinc/38/74/02/194387402.db2.gz QCBWVBJLTGXMNW-KGLIPLIRSA-N 0 0 303.362 0.159 10 0 DCAERN CC(=O)NCCCCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087165 194390208 /nfs/dbraw/zinc/39/02/08/194390208.db2.gz SKQGQRJZTJTRBK-HNNXBMFYSA-N 0 0 322.409 0.807 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCCSCC2)cc1C(N)=O ZINC000060844465 184156302 /nfs/dbraw/zinc/15/63/02/184156302.db2.gz GYOKKKKVGIVFPS-UHFFFAOYSA-N 0 0 303.409 0.252 10 0 DCAERN O=C(CN1CCN(CCc2ccccn2)CC1)N1CCOCC1 ZINC000060845815 184156414 /nfs/dbraw/zinc/15/64/14/184156414.db2.gz JFNSMQNYJBHVTE-UHFFFAOYSA-N 0 0 318.421 0.101 10 0 DCAERN O=C(CNS(=O)(=O)NC1CCCC1)N1CCc2ccccc21 ZINC000062213752 184222024 /nfs/dbraw/zinc/22/20/24/184222024.db2.gz FBFQBIXRNLMKAD-UHFFFAOYSA-N 0 0 323.418 0.942 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000408356794 532967034 /nfs/dbraw/zinc/96/70/34/532967034.db2.gz GPUMXWOMKVJGLR-RAIGVLPGSA-N 0 0 324.381 0.387 10 0 DCAERN Cn1c(=O)cc(C[S@@](=O)c2ccc(F)c(F)c2)n(C)c1=O ZINC000178546078 252607648 /nfs/dbraw/zinc/60/76/48/252607648.db2.gz AHUSHAIVJODWSI-OAQYLSRUSA-N 0 0 314.313 0.670 10 0 DCAERN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccnnc1 ZINC000096186232 285004132 /nfs/dbraw/zinc/00/41/32/285004132.db2.gz SVXLKIOKRCXYHI-CHWSQXEVSA-N 0 0 304.350 0.329 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000312228395 252642081 /nfs/dbraw/zinc/64/20/81/252642081.db2.gz GWWOTNNAMDKETL-SECBINFHSA-N 0 0 313.301 0.591 10 0 DCAERN CN1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000333169190 252690457 /nfs/dbraw/zinc/69/04/57/252690457.db2.gz PJMMKTAGWJKRBT-UPJWGTAASA-N 0 0 307.394 0.372 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(c3cncc4ncnn43)CC2)O1 ZINC000333215497 252694111 /nfs/dbraw/zinc/69/41/11/252694111.db2.gz CKFSBFYSPYNFJX-NWDGAFQWSA-N 0 0 316.365 0.340 10 0 DCAERN CCC(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000333709041 252755168 /nfs/dbraw/zinc/75/51/68/252755168.db2.gz ICKWIIPTSIINQQ-ZIAGYGMSSA-N 0 0 309.410 0.668 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000334072033 252788984 /nfs/dbraw/zinc/78/89/84/252788984.db2.gz HKCJMZIIMGWLHS-QCNOEVLYSA-N 0 0 316.423 0.486 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCOC1 ZINC000337530412 252866061 /nfs/dbraw/zinc/86/60/61/252866061.db2.gz CUIYYUKZLNJQML-LLVKDONJSA-N 0 0 305.334 0.513 10 0 DCAERN COc1cnc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)nc1 ZINC000340169173 253210631 /nfs/dbraw/zinc/21/06/31/253210631.db2.gz ODGLSLJVGGLGTM-CYBMUJFWSA-N 0 0 320.393 0.812 10 0 DCAERN CO[C@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@@H]1OC ZINC000341746653 253413895 /nfs/dbraw/zinc/41/38/95/253413895.db2.gz APJGIQZBIVPSCO-STQMWFEESA-N 0 0 307.350 0.751 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2C[C@H](F)C[C@@H]2C(N)=O)c1 ZINC000346102072 254009953 /nfs/dbraw/zinc/00/99/53/254009953.db2.gz YUFRCYHOWJAWRC-TZMCWYRMSA-N 0 0 323.368 0.388 10 0 DCAERN CC(=O)C1(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000346121047 254013269 /nfs/dbraw/zinc/01/32/69/254013269.db2.gz FJFQDJVCVRCAKV-UHFFFAOYSA-N 0 0 314.407 0.428 10 0 DCAERN NC(=O)[C@H]1C[C@@H](F)CN1C(=O)CN1CCc2ccccc2C1=O ZINC000347221733 254140179 /nfs/dbraw/zinc/14/01/79/254140179.db2.gz MYPVENRELGPQBB-DGCLKSJQSA-N 0 0 319.336 0.109 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)nn1 ZINC000348864809 254262321 /nfs/dbraw/zinc/26/23/21/254262321.db2.gz FYBKSBAXLYHRFU-ZDUSSCGKSA-N 0 0 313.361 0.783 10 0 DCAERN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)C(=O)N2C1 ZINC000350177092 254312819 /nfs/dbraw/zinc/31/28/19/254312819.db2.gz QBCJJDASVORPBT-MTVMDMGHSA-N 0 0 307.350 0.047 10 0 DCAERN COc1ccc(CCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350620187 254319990 /nfs/dbraw/zinc/31/99/90/254319990.db2.gz MGVSAHPFPAIXPZ-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN COc1ccc(CC(=O)NC[C@H](C)S(N)(=O)=O)cc1F ZINC000350621493 254320271 /nfs/dbraw/zinc/32/02/71/254320271.db2.gz RYKZUWGCNMUKHQ-QMMMGPOBSA-N 0 0 304.343 0.170 10 0 DCAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350627777 254321132 /nfs/dbraw/zinc/32/11/32/254321132.db2.gz FUVUTFFNDUGNDL-IUCAKERBSA-N 0 0 320.798 0.901 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CCCc2sccc21)S(N)(=O)=O ZINC000350629726 254321745 /nfs/dbraw/zinc/32/17/45/254321745.db2.gz RGALTCFSTDLXCH-WPRPVWTQSA-N 0 0 302.421 0.961 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000351886160 254378258 /nfs/dbraw/zinc/37/82/58/254378258.db2.gz STAWAIKAVNBJQT-UHFFFAOYSA-N 0 0 301.306 0.079 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000288908505 220525844 /nfs/dbraw/zinc/52/58/44/220525844.db2.gz KJZLETYRNMSJNX-UHFFFAOYSA-N 0 0 315.782 0.738 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)C2CCCC2)C[C@H](C)O1 ZINC000352560255 254420024 /nfs/dbraw/zinc/42/00/24/254420024.db2.gz OQYDMINZGASFDH-LOWVWBTDSA-N 0 0 306.428 0.481 10 0 DCAERN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4CCCO4)C3)CC2=O)cn1 ZINC000248127440 257108014 /nfs/dbraw/zinc/10/80/14/257108014.db2.gz MCNTVUUARCKFOO-BBRMVZONSA-N 0 0 318.377 0.555 10 0 DCAERN Cn1cc(C[C@@H]2[C@H](O)CCN2S(=O)(=O)c2ccccc2)cn1 ZINC000248126532 257108141 /nfs/dbraw/zinc/10/81/41/257108141.db2.gz LTOXOQWOFRUBFB-HUUCEWRRSA-N 0 0 321.402 0.787 10 0 DCAERN CNC(=O)C[C@H]1CN(C(=O)c2ccncn2)Cc2ccnn21 ZINC000247968693 257112880 /nfs/dbraw/zinc/11/28/80/257112880.db2.gz TYXBMOBAIWIIDA-NSHDSACASA-N 0 0 300.322 0.006 10 0 DCAERN Cc1noc([C@@H]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3O2)n1 ZINC000247932709 257113856 /nfs/dbraw/zinc/11/38/56/257113856.db2.gz GELAVGUEVWAMHU-VWYCJHECSA-N 0 0 316.383 0.336 10 0 DCAERN O=C(NC1CC1)[C@]12CCO[C@H]1CCN(c1ncc(F)cn1)C2 ZINC000247739974 257118674 /nfs/dbraw/zinc/11/86/74/257118674.db2.gz NIFOWAYOPLTBOZ-WFASDCNBSA-N 0 0 306.341 0.880 10 0 DCAERN CCOCC(=O)N1CC2(C1)C[C@H](Oc1nccc(C)n1)CCO2 ZINC000253478003 257105072 /nfs/dbraw/zinc/10/50/72/257105072.db2.gz IPWRXAPGTRPLQX-CYBMUJFWSA-N 0 0 321.377 0.960 10 0 DCAERN COc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1 ZINC000276383550 533286764 /nfs/dbraw/zinc/28/67/64/533286764.db2.gz JINHANCLTQJBOK-ZDUSSCGKSA-N 0 0 320.393 0.668 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000152557691 533295100 /nfs/dbraw/zinc/29/51/00/533295100.db2.gz ZEXOHNUBNFJYII-STQMWFEESA-N 0 0 316.423 0.848 10 0 DCAERN O=C([C@H]1CCCCO1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275683751 130361404 /nfs/dbraw/zinc/36/14/04/130361404.db2.gz MNGZNSHLDSKFHQ-GFCCVEGCSA-N 0 0 316.365 0.342 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000275830952 130394055 /nfs/dbraw/zinc/39/40/55/130394055.db2.gz VIECMQDKYHLCMP-AAEUAGOBSA-N 0 0 304.394 0.911 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000277725428 130635547 /nfs/dbraw/zinc/63/55/47/130635547.db2.gz PSNWFBGDPUJDTO-AEGPPILISA-N 0 0 318.373 0.998 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000278658859 130710371 /nfs/dbraw/zinc/71/03/71/130710371.db2.gz RVRIHOVOVBTZKO-AWEZNQCLSA-N 0 0 320.393 0.369 10 0 DCAERN NC(=O)C1CCN(C(=O)c2cnc(OCC3CC3)cn2)CC1 ZINC000283819726 131026361 /nfs/dbraw/zinc/02/63/61/131026361.db2.gz JWDHTGNHFZFDEP-UHFFFAOYSA-N 0 0 304.350 0.603 10 0 DCAERN Cn1nccc1COCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000283836281 131027982 /nfs/dbraw/zinc/02/79/82/131027982.db2.gz GATQGJCTSOJSMS-GFCCVEGCSA-N 0 0 304.354 0.392 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCn3ccnc3)C[C@@H]21 ZINC000284167610 131055733 /nfs/dbraw/zinc/05/57/33/131055733.db2.gz WVRIDGGHGZTBGB-UONOGXRCSA-N 0 0 307.398 0.388 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)COCc3ccnn3C)C2)cn1 ZINC000284351936 131072708 /nfs/dbraw/zinc/07/27/08/131072708.db2.gz NADIPVYFUDCJBB-GFCCVEGCSA-N 0 0 303.366 0.686 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1C ZINC000284389438 131076558 /nfs/dbraw/zinc/07/65/58/131076558.db2.gz BGPNGDCARRYEAV-LDYMZIIASA-N 0 0 314.411 0.262 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc(F)cc2F)[C@@H]1C(N)=O ZINC000284805797 131112413 /nfs/dbraw/zinc/11/24/13/131112413.db2.gz SSLNJNCGLGFNDN-HQJQHLMTSA-N 0 0 320.317 0.228 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284819678 131113615 /nfs/dbraw/zinc/11/36/15/131113615.db2.gz OAKAVFSNQBLIFH-HNNXBMFYSA-N 0 0 312.333 0.275 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(C)s1 ZINC000285001929 131130268 /nfs/dbraw/zinc/13/02/68/131130268.db2.gz LYYFFSHBGYQGEK-BDAKNGLRSA-N 0 0 306.384 0.951 10 0 DCAERN COC[C@@H]1CN(c2cc(N3CCOCC3)ncn2)CC(C)(C)O1 ZINC000285228749 131149439 /nfs/dbraw/zinc/14/94/39/131149439.db2.gz YBHUESHNJAJWMQ-ZDUSSCGKSA-N 0 0 322.409 0.943 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@](O)(C(N)=O)C2)[nH]c2c1C(=O)CCC2 ZINC000285406212 131165556 /nfs/dbraw/zinc/16/55/56/131165556.db2.gz HEXKYISFVVSESX-INIZCTEOSA-N 0 0 319.361 0.295 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000285404122 131165751 /nfs/dbraw/zinc/16/57/51/131165751.db2.gz HCHBGUJGFKOTDF-MMPTUQATSA-N 0 0 324.327 0.907 10 0 DCAERN CCc1ccccc1OCC(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285610500 131186399 /nfs/dbraw/zinc/18/63/99/131186399.db2.gz RTDZYDBAQUZZBN-MRXNPFEDSA-N 0 0 306.362 0.467 10 0 DCAERN O=C(CNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)NCC(F)(F)F ZINC000366653413 131300444 /nfs/dbraw/zinc/30/04/44/131300444.db2.gz MXNULDVPYFZPGU-UWVGGRQHSA-N 0 0 323.315 0.733 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000366698392 131745392 /nfs/dbraw/zinc/74/53/92/131745392.db2.gz IUWFAZBSYROQSY-GFCCVEGCSA-N 0 0 313.361 0.572 10 0 DCAERN Cc1c(CNC(=O)N2CCN(Cc3ccon3)CC2)cnn1C ZINC000121981436 132161649 /nfs/dbraw/zinc/16/16/49/132161649.db2.gz KLOYESHKKVKBBN-UHFFFAOYSA-N 0 0 318.381 0.744 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2cccnc2)CCS1(=O)=O ZINC000122024555 132162608 /nfs/dbraw/zinc/16/26/08/132162608.db2.gz LBXOEHAOXYYFBE-NSHDSACASA-N 0 0 314.432 0.960 10 0 DCAERN Cn1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000010585011 395686226 /nfs/dbraw/zinc/68/62/26/395686226.db2.gz NVNFLJLQHSWNOU-UHFFFAOYSA-N 0 0 309.351 0.389 10 0 DCAERN CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000013825299 395688899 /nfs/dbraw/zinc/68/88/99/395688899.db2.gz CGAONTKAHYNZSM-UHFFFAOYSA-N 0 0 307.393 0.269 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000014137932 395689176 /nfs/dbraw/zinc/68/91/76/395689176.db2.gz HQOMQJMVZSRFIY-IUCAKERBSA-N 0 0 318.381 0.502 10 0 DCAERN CN(Cc1ccc(Cl)cc1)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000024666404 395692998 /nfs/dbraw/zinc/69/29/98/395692998.db2.gz BMCYDYBTHDDQMY-UHFFFAOYSA-N 0 0 307.737 0.849 10 0 DCAERN Cn1nccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000030595916 395703557 /nfs/dbraw/zinc/70/35/57/395703557.db2.gz YHNMZCILNKLZGN-UHFFFAOYSA-N 0 0 322.346 0.344 10 0 DCAERN O=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCOCC1 ZINC000089195549 395708952 /nfs/dbraw/zinc/70/89/52/395708952.db2.gz BMXHOPPHYPKUCV-UHFFFAOYSA-N 0 0 304.272 0.478 10 0 DCAERN CC(=O)N(C)[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000032107117 395709541 /nfs/dbraw/zinc/70/95/41/395709541.db2.gz BGOWELPNYQFSKL-KIJLLGNVSA-N 0 0 315.366 0.861 10 0 DCAERN C[C@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1O ZINC000089410062 395710980 /nfs/dbraw/zinc/71/09/80/395710980.db2.gz ZWWFYWHBYDYHDH-GXTWGEPZSA-N 0 0 304.394 0.922 10 0 DCAERN C[C@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@@H]1O ZINC000089410058 395710996 /nfs/dbraw/zinc/71/09/96/395710996.db2.gz ZWWFYWHBYDYHDH-JSGCOSHPSA-N 0 0 304.394 0.922 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000089412859 395711331 /nfs/dbraw/zinc/71/13/31/395711331.db2.gz ZEWWRJXZJVHHNO-IINYFYTJSA-N 0 0 317.393 0.903 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)C[C@H]1O ZINC000089429300 395711737 /nfs/dbraw/zinc/71/17/37/395711737.db2.gz HGJBLFHGZLBWFZ-BXUZGUMPSA-N 0 0 301.346 0.626 10 0 DCAERN C[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000032644860 395711948 /nfs/dbraw/zinc/71/19/48/395711948.db2.gz KBBQVOAAFDWJPG-NSHDSACASA-N 0 0 301.346 0.948 10 0 DCAERN COc1ccc(Br)cc1CC(=O)NOCC(N)=O ZINC000089463770 395711965 /nfs/dbraw/zinc/71/19/65/395711965.db2.gz JETUMSFLXPZZCF-UHFFFAOYSA-N 0 0 317.139 0.533 10 0 DCAERN CS(=O)(=O)c1ccc(N2C[C@H](c3nnc(N)o3)CC2=O)cc1 ZINC000033274196 395717217 /nfs/dbraw/zinc/71/72/17/395717217.db2.gz UDJZAOKHRAAQJL-MRVPVSSYSA-N 0 0 322.346 0.576 10 0 DCAERN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000034684810 395718333 /nfs/dbraw/zinc/71/83/33/395718333.db2.gz XKVGJMDODUAROF-CYBMUJFWSA-N 0 0 321.377 0.285 10 0 DCAERN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000027905283 395695476 /nfs/dbraw/zinc/69/54/76/395695476.db2.gz JXAVVRWLUUFSBI-ONGXEEELSA-N 0 0 304.350 0.867 10 0 DCAERN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@H]([NH3+])C3)nc21 ZINC000029333292 395697677 /nfs/dbraw/zinc/69/76/77/395697677.db2.gz BQDVLIDLHOSQHC-QMMMGPOBSA-N 0 0 320.324 0.791 10 0 in-man DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000091414330 395725032 /nfs/dbraw/zinc/72/50/32/395725032.db2.gz VKRFEJFYGRILLZ-UHFFFAOYSA-N 0 0 311.288 0.498 10 0 DCAERN C[C@H](Nc1ccc2nnc(C3CC3)n2n1)C(=O)N1CCOCC1 ZINC000091477335 395725455 /nfs/dbraw/zinc/72/54/55/395725455.db2.gz YHAFKBOLPUCBNW-JTQLQIEISA-N 0 0 316.365 0.661 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376233160 304312675 /nfs/dbraw/zinc/31/26/75/304312675.db2.gz YFGNNZQPPMDOIR-MELADBBJSA-N 0 0 311.378 0.936 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093969406 395739479 /nfs/dbraw/zinc/73/94/79/395739479.db2.gz LIMQLCWUICMLBW-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN CC(C)Cn1ccnc(NC[C@@H](O)CN2CCOCC2)c1=O ZINC000094132242 395740013 /nfs/dbraw/zinc/74/00/13/395740013.db2.gz TZRZKNNFPPBHOI-CYBMUJFWSA-N 0 0 310.398 0.004 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)nn21 ZINC000041933369 395740664 /nfs/dbraw/zinc/74/06/64/395740664.db2.gz TXSPVICWVOIWDC-SNVBAGLBSA-N 0 0 302.338 0.126 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000096475176 395753731 /nfs/dbraw/zinc/75/37/31/395753731.db2.gz KBOFSLCTORGNRC-OLZOCXBDSA-N 0 0 309.391 0.138 10 0 DCAERN O=S(=O)(N1CC[C@@H](Oc2cccnc2)C1)N1CCOCC1 ZINC000097015835 395755297 /nfs/dbraw/zinc/75/52/97/395755297.db2.gz MOVNHQXTDXVKTI-CYBMUJFWSA-N 0 0 313.379 0.112 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(C)s1 ZINC000193942218 395782955 /nfs/dbraw/zinc/78/29/55/395782955.db2.gz HNFRMAOZZRGLNO-NSHDSACASA-N 0 0 310.375 0.489 10 0 DCAERN CC(=O)NCCNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194002644 395784347 /nfs/dbraw/zinc/78/43/47/395784347.db2.gz MEOOQEMCSJISNX-NSHDSACASA-N 0 0 312.395 0.671 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000194020932 395785344 /nfs/dbraw/zinc/78/53/44/395785344.db2.gz XUMQCSRMRXTRNJ-VXGBXAGGSA-N 0 0 308.378 0.928 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)n2)CC1 ZINC000194120312 395788764 /nfs/dbraw/zinc/78/87/64/395788764.db2.gz TYTRUJWVUPHATQ-CYBMUJFWSA-N 0 0 320.393 0.244 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000045143036 395761802 /nfs/dbraw/zinc/76/18/02/395761802.db2.gz SQGJKMSISGUXSE-CYBMUJFWSA-N 0 0 319.409 0.581 10 0 DCAERN CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000100196326 395762907 /nfs/dbraw/zinc/76/29/07/395762907.db2.gz STECJAGHUSJQJN-FGZZBPHYSA-N 0 0 303.358 0.918 10 0 in-man DCAERN CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)NCCCOC)C1 ZINC000101563863 395764990 /nfs/dbraw/zinc/76/49/90/395764990.db2.gz VVXPFNDETQSWAS-KBPBESRZSA-N 0 0 313.442 0.908 10 0 DCAERN O=C(CCNC(=O)c1cccs1)NCCCN1CCCC1=O ZINC000045819846 395767030 /nfs/dbraw/zinc/76/70/30/395767030.db2.gz ZMLGAMVFRUWUDP-UHFFFAOYSA-N 0 0 323.418 0.997 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000046165653 395772293 /nfs/dbraw/zinc/77/22/93/395772293.db2.gz NQPZQEJHIMXVSH-LLVKDONJSA-N 0 0 301.350 0.923 10 0 DCAERN O=c1[nH]c(CN2CCNC(=O)CC2)nc2ccc(Cl)cc21 ZINC000103470721 395772469 /nfs/dbraw/zinc/77/24/69/395772469.db2.gz PSDIDYBQFUIIBY-UHFFFAOYSA-N 0 0 306.753 0.898 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1cccnc1N(C)C ZINC000193753940 395778202 /nfs/dbraw/zinc/77/82/02/395778202.db2.gz KUHCECRCCLPRQY-PWSUYJOCSA-N 0 0 305.382 0.471 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCCOCC(F)(F)F)C1 ZINC000104788779 395778908 /nfs/dbraw/zinc/77/89/08/395778908.db2.gz RTQJBNFVWKTLDF-SNVBAGLBSA-N 0 0 313.320 0.585 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@H](O)CN2CCOCC2)ccc1C ZINC000193786455 395778994 /nfs/dbraw/zinc/77/89/94/395778994.db2.gz UGGCIXKWKROLFN-HNNXBMFYSA-N 0 0 320.389 0.621 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000111538953 395809096 /nfs/dbraw/zinc/80/90/96/395809096.db2.gz BUYPZHRNTZGNGI-NSHDSACASA-N 0 0 320.349 0.085 10 0 DCAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000194876144 395810069 /nfs/dbraw/zinc/81/00/69/395810069.db2.gz RIXJNXMEQVUPKT-GFCCVEGCSA-N 0 0 321.402 0.559 10 0 DCAERN COCCOCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000111663565 395811582 /nfs/dbraw/zinc/81/15/82/395811582.db2.gz MIWZSVZXAUBIMM-AWEZNQCLSA-N 0 0 300.399 0.363 10 0 DCAERN O=C(CCc1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000194962368 395812886 /nfs/dbraw/zinc/81/28/86/395812886.db2.gz QSBIWJJGXFDRQL-UHFFFAOYSA-N 0 0 304.346 0.739 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCc4ncnn4C3)cc12 ZINC000112651357 395820652 /nfs/dbraw/zinc/82/06/52/395820652.db2.gz XHEOBZKCUYGDGJ-LLVKDONJSA-N 0 0 311.349 0.613 10 0 DCAERN O=C(CCNC(=O)N[C@H]1CCc2ncnn2C1)N1CCCCC1 ZINC000112742918 395824236 /nfs/dbraw/zinc/82/42/36/395824236.db2.gz GDRHRSUPEIDNCW-LBPRGKRZSA-N 0 0 320.397 0.295 10 0 DCAERN Cn1c(=O)cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n(C)c1=O ZINC000195345579 395825735 /nfs/dbraw/zinc/82/57/35/395825735.db2.gz MMYLQRDNQXOQRG-LLVKDONJSA-N 0 0 320.418 0.920 10 0 DCAERN CC1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)Cc2ccccc21 ZINC000270986501 395828284 /nfs/dbraw/zinc/82/82/84/395828284.db2.gz DMJMWXNPEZXTMB-LBPRGKRZSA-N 0 0 301.346 0.905 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCOC2)ccc1Cl ZINC000113200361 395828295 /nfs/dbraw/zinc/82/82/95/395828295.db2.gz FOQAJBDUIHKKPY-SECBINFHSA-N 0 0 318.782 0.896 10 0 DCAERN O=S(=O)(CCc1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000113298524 395829099 /nfs/dbraw/zinc/82/90/99/395829099.db2.gz YXDWQXDVMZYZLU-CYBMUJFWSA-N 0 0 306.391 0.755 10 0 DCAERN Cc1nc(-n2cn[nH]c2=O)sc1C(=O)NCc1cccnc1 ZINC000113379048 395829644 /nfs/dbraw/zinc/82/96/44/395829644.db2.gz YVRDBHXNPKFKPG-UHFFFAOYSA-N 0 0 316.346 0.651 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1F ZINC000049240812 395829750 /nfs/dbraw/zinc/82/97/50/395829750.db2.gz WFOVUPNHJHQMMD-JTQLQIEISA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000113567116 395831000 /nfs/dbraw/zinc/83/10/00/395831000.db2.gz MGMWSHUQJRQACU-BXKDBHETSA-N 0 0 304.350 0.822 10 0 DCAERN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000049372003 395831111 /nfs/dbraw/zinc/83/11/11/395831111.db2.gz MJHOWKMAVHHWDX-VHSXEESVSA-N 0 0 300.380 0.936 10 0 DCAERN CCn1ccnc1CS(=O)(=O)[C@@H](C)C(=O)NCC(C)C ZINC000195519672 395831395 /nfs/dbraw/zinc/83/13/95/395831395.db2.gz GHCPZGRUFCFSIF-NSHDSACASA-N 0 0 301.412 0.979 10 0 DCAERN Cc1n[nH]cc1CCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000050183772 395837356 /nfs/dbraw/zinc/83/73/56/395837356.db2.gz OSOJSRPPFYDZKY-QWRGUYRKSA-N 0 0 316.427 0.594 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116419334 395844026 /nfs/dbraw/zinc/84/40/26/395844026.db2.gz BCGHZWXRGVFGST-KGLIPLIRSA-N 0 0 321.425 0.640 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)NCCN3C(=O)CNC3=O)cc21 ZINC000116764365 395844517 /nfs/dbraw/zinc/84/45/17/395844517.db2.gz QYCSBBVFPKOVDK-UHFFFAOYSA-N 0 0 318.308 0.897 10 0 DCAERN CCS[C@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116833937 395847154 /nfs/dbraw/zinc/84/71/54/395847154.db2.gz PKXIPNFYOPLPTE-MNOVXSKESA-N 0 0 308.469 0.914 10 0 DCAERN Cc1ccc(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116892397 395849061 /nfs/dbraw/zinc/84/90/61/395849061.db2.gz GHNHDNNOEZTQNF-ZDUSSCGKSA-N 0 0 311.407 0.557 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000116904588 395849466 /nfs/dbraw/zinc/84/94/66/395849466.db2.gz KDRADXQZQDSROR-SNVBAGLBSA-N 0 0 322.383 0.138 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3F)CCO1 ZINC000051712480 395853948 /nfs/dbraw/zinc/85/39/48/395853948.db2.gz CLZLLCXAUPQTTB-OLZOCXBDSA-N 0 0 307.325 0.709 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000117927442 395856790 /nfs/dbraw/zinc/85/67/90/395856790.db2.gz PNTNUPLGMSNHFD-UHFFFAOYSA-N 0 0 323.374 0.941 10 0 DCAERN O=C(CN1CCN(Cc2noc3c2CCCC3)CC1)NC1CC1 ZINC000108851147 395793715 /nfs/dbraw/zinc/79/37/15/395793715.db2.gz SDQYVNRYQOVTCK-UHFFFAOYSA-N 0 0 318.421 0.950 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H](C)CO1 ZINC000047474939 395793861 /nfs/dbraw/zinc/79/38/61/395793861.db2.gz CKSIFFCUGYTWFP-QWRGUYRKSA-N 0 0 317.345 0.326 10 0 DCAERN Cn1ccnc1CN1CCN(CC(=O)NCC2CCC2)CC1 ZINC000108917969 395795037 /nfs/dbraw/zinc/79/50/37/395795037.db2.gz BNYHLGJBUIQTIM-UHFFFAOYSA-N 0 0 305.426 0.454 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCCCCO)C2=O)n(C)n1 ZINC000194473492 395798268 /nfs/dbraw/zinc/79/82/68/395798268.db2.gz ZAEBIQAFZFMPJC-LBPRGKRZSA-N 0 0 323.397 0.296 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000245418225 395928975 /nfs/dbraw/zinc/92/89/75/395928975.db2.gz AMILQAXINLSALW-NFAWXSAZSA-N 0 0 324.421 0.945 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000122731589 395888692 /nfs/dbraw/zinc/88/86/92/395888692.db2.gz KZLIDTLWVLTBLT-VXGBXAGGSA-N 0 0 304.412 0.438 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000053773927 395889091 /nfs/dbraw/zinc/88/90/91/395889091.db2.gz AWBGEFFRVSJIMS-UHFFFAOYSA-N 0 0 312.326 0.234 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000123124960 395892153 /nfs/dbraw/zinc/89/21/53/395892153.db2.gz SMPNRKBFAYQPPF-MLGOLLRUSA-N 0 0 320.393 0.995 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000124063319 395899929 /nfs/dbraw/zinc/89/99/29/395899929.db2.gz AEPXLDTYSZFQCH-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000124571888 395900793 /nfs/dbraw/zinc/90/07/93/395900793.db2.gz TZZNTWGWEMUNGU-OLZOCXBDSA-N 0 0 313.423 0.219 10 0 DCAERN C[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000054799332 395906245 /nfs/dbraw/zinc/90/62/45/395906245.db2.gz KPHWKYHYHTXFSQ-QWRGUYRKSA-N 0 0 304.412 0.294 10 0 DCAERN CC(C)N(C)C(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000054867989 395907626 /nfs/dbraw/zinc/90/76/26/395907626.db2.gz AZNPWJBCCRMRDS-CYBMUJFWSA-N 0 0 310.442 0.138 10 0 DCAERN COCC(=O)N(C)CC(=O)N(C)CCOc1ccc(C)cc1 ZINC000125931962 395908209 /nfs/dbraw/zinc/90/82/09/395908209.db2.gz PPPANYGDHLPTQE-UHFFFAOYSA-N 0 0 308.378 0.937 10 0 DCAERN O=C(CCN1CCc2ccccc2C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000243199123 395923833 /nfs/dbraw/zinc/92/38/33/395923833.db2.gz KDXWVDXLFRELBO-OAHLLOKOSA-N 0 0 322.430 0.738 10 0 DCAERN CC(=O)NCC1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000056070547 395926612 /nfs/dbraw/zinc/92/66/12/395926612.db2.gz QXRPBXSOIMDJTJ-LBPRGKRZSA-N 0 0 317.455 0.811 10 0 DCAERN Cn1cc(-n2ccc(=O)c(Cc3ccc4oc(=O)[nH]c4c3)n2)cn1 ZINC000118342269 395862192 /nfs/dbraw/zinc/86/21/92/395862192.db2.gz QPMXLVHXWRCMCP-UHFFFAOYSA-N 0 0 323.312 0.991 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000118434731 395862213 /nfs/dbraw/zinc/86/22/13/395862213.db2.gz FMHPSJPGBODOTO-NSHDSACASA-N 0 0 315.395 0.492 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2noc(C)n2)cc1 ZINC000118648087 395862724 /nfs/dbraw/zinc/86/27/24/395862724.db2.gz KHKVFIVAPJIQTR-UHFFFAOYSA-N 0 0 310.335 0.216 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)N1CCC[C@@H]1CO ZINC000118568131 395863063 /nfs/dbraw/zinc/86/30/63/395863063.db2.gz YODJLQGBYBZTQV-CYBMUJFWSA-N 0 0 301.350 0.934 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H]2CCN(c3ccccn3)C2)n1 ZINC000119743514 395874893 /nfs/dbraw/zinc/87/48/93/395874893.db2.gz VDKABMBXWWFZGG-GFCCVEGCSA-N 0 0 316.365 0.894 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCOC2)cs1 ZINC000230168898 395878510 /nfs/dbraw/zinc/87/85/10/395878510.db2.gz JAVNLMVSPMFSMC-MRVPVSSYSA-N 0 0 304.393 0.552 10 0 DCAERN CN1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CCC1=O ZINC000121260408 395883909 /nfs/dbraw/zinc/88/39/09/395883909.db2.gz ZTCXPLGVJPDUMS-VIFPVBQESA-N 0 0 300.318 0.274 10 0 DCAERN CSCC[C@H](C)N(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000134386452 395931705 /nfs/dbraw/zinc/93/17/05/395931705.db2.gz OQTNBINPZDYNIA-JTQLQIEISA-N 0 0 323.422 0.730 10 0 DCAERN CCc1nnc(C)cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000273593436 395932228 /nfs/dbraw/zinc/93/22/28/395932228.db2.gz KDSYZDBJRWYBTQ-JTQLQIEISA-N 0 0 312.395 0.111 10 0 DCAERN CSCCCC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000134894888 395935427 /nfs/dbraw/zinc/93/54/27/395935427.db2.gz GSEKEOJBAIKGNH-UHFFFAOYSA-N 0 0 308.469 0.965 10 0 DCAERN COc1ccccc1OC[C@H](C)CNC(=O)[C@@H]1CNC(=O)C1 ZINC000134978970 395936571 /nfs/dbraw/zinc/93/65/71/395936571.db2.gz MFINRADGXJAEER-NEPJUHHUSA-N 0 0 306.362 0.962 10 0 DCAERN C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000245931757 395938403 /nfs/dbraw/zinc/93/84/03/395938403.db2.gz ZFZIRIKLYTUCHD-MGPQQGTHSA-N 0 0 319.471 0.662 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135291696 395939057 /nfs/dbraw/zinc/93/90/57/395939057.db2.gz VQGSCBHVWPCVPH-LBPRGKRZSA-N 0 0 314.349 0.178 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)[C@H]2CCCc3n[nH]cc32)n1 ZINC000135315594 395939381 /nfs/dbraw/zinc/93/93/81/395939381.db2.gz CLKYCMKVGCJDQJ-VIFPVBQESA-N 0 0 303.322 0.838 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000135356122 395939463 /nfs/dbraw/zinc/93/94/63/395939463.db2.gz ZQXMXIATGSQNQI-UHFFFAOYSA-N 0 0 314.411 0.065 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000135510775 395940353 /nfs/dbraw/zinc/94/03/53/395940353.db2.gz QWAOACZWWYYPIS-DGCLKSJQSA-N 0 0 322.390 0.864 10 0 DCAERN Cc1ccc(C)c(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)c1 ZINC000246130248 395941911 /nfs/dbraw/zinc/94/19/11/395941911.db2.gz KUQXRVPQUMCWDK-KBPBESRZSA-N 0 0 308.378 0.229 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000136232773 395945416 /nfs/dbraw/zinc/94/54/16/395945416.db2.gz RUWQSPWSPVIMKN-NSHDSACASA-N 0 0 321.352 0.771 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000136366481 395945975 /nfs/dbraw/zinc/94/59/75/395945975.db2.gz SAFKXTOTLRVZJR-LLVKDONJSA-N 0 0 324.381 0.961 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000246493360 395951558 /nfs/dbraw/zinc/95/15/58/395951558.db2.gz KAHRBKNXBBODGT-MGPQQGTHSA-N 0 0 300.399 0.407 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000246859010 395959577 /nfs/dbraw/zinc/95/95/77/395959577.db2.gz GNSJTBFNNYYITA-FRRDWIJNSA-N 0 0 320.393 0.765 10 0 DCAERN NC(=O)[C@@H]1COCCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000246872056 395960352 /nfs/dbraw/zinc/96/03/52/395960352.db2.gz SSPJVBXSUWDACD-FZMZJTMJSA-N 0 0 319.361 0.094 10 0 DCAERN COC(=O)C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000246970647 395962606 /nfs/dbraw/zinc/96/26/06/395962606.db2.gz LWOVSIRCVCOYBU-KGLIPLIRSA-N 0 0 306.362 0.738 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@H](C)COC[C@H]1C)C(=O)OC ZINC000247014418 395963685 /nfs/dbraw/zinc/96/36/85/395963685.db2.gz IWVCTYASWWGCQB-SFTQSGBHSA-N 0 0 300.399 0.800 10 0 DCAERN CCOCCN1CCN([C@H](C)C(=O)NCCCOC)C[C@@H]1C ZINC000247140853 395967732 /nfs/dbraw/zinc/96/77/32/395967732.db2.gz KZFYWNKSQGJAAV-LSDHHAIUSA-N 0 0 315.458 0.570 10 0 DCAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)N3CCCCC3)CCO2)[nH]1 ZINC000247176826 395968555 /nfs/dbraw/zinc/96/85/55/395968555.db2.gz RPKOYLSNUFPZHE-YPMHNXCESA-N 0 0 307.398 0.887 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)CCC1=O ZINC000247376604 395972705 /nfs/dbraw/zinc/97/27/05/395972705.db2.gz OIMLVXQUEVXWLE-OSAQELSMSA-N 0 0 303.362 0.565 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000247452755 395974157 /nfs/dbraw/zinc/97/41/57/395974157.db2.gz QIZNTKTZLYAIJV-MKBNYLNASA-N 0 0 324.425 0.648 10 0 DCAERN COc1n[nH]c(NC(=O)c2cnn(C)c2Br)n1 ZINC000274780756 395976242 /nfs/dbraw/zinc/97/62/42/395976242.db2.gz JPNBOTVNLWXJCP-UHFFFAOYSA-N 0 0 301.104 0.562 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151092233 395978344 /nfs/dbraw/zinc/97/83/44/395978344.db2.gz OQDWCNXXLXFXRB-TZMCWYRMSA-N 0 0 316.423 0.176 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000248281212 395984270 /nfs/dbraw/zinc/98/42/70/395984270.db2.gz VGOXZWUKXFGUHN-DMRZNYOFSA-N 0 0 301.390 0.955 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)CCO1 ZINC000248427281 395987148 /nfs/dbraw/zinc/98/71/48/395987148.db2.gz ADMQMDCXHSQSPX-MPGHIAIKSA-N 0 0 314.385 0.864 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000151619842 395989110 /nfs/dbraw/zinc/98/91/10/395989110.db2.gz BUOYYQSVCFRSGZ-QWHCGFSZSA-N 0 0 312.410 0.681 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)CCCCO)cc1 ZINC000276165585 395989692 /nfs/dbraw/zinc/98/96/92/395989692.db2.gz BYDCHBRKDYFSBG-UHFFFAOYSA-N 0 0 301.364 0.866 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000151685593 395990607 /nfs/dbraw/zinc/99/06/07/395990607.db2.gz HYKPDVYHBPOXJN-LBPRGKRZSA-N 0 0 304.350 0.789 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)n1 ZINC000249075237 396001837 /nfs/dbraw/zinc/00/18/37/396001837.db2.gz RTLIAZLJSHWNRJ-IRXDYDNUSA-N 0 0 322.453 0.921 10 0 DCAERN CNc1nccc(N2CCC(CC(=O)NCCOC)CC2)n1 ZINC000065282079 395992005 /nfs/dbraw/zinc/99/20/05/395992005.db2.gz JBZCGPOWYRJOCU-UHFFFAOYSA-N 0 0 307.398 0.887 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@H](C)OC(C)(C)C1 ZINC000065423343 395993448 /nfs/dbraw/zinc/99/34/48/395993448.db2.gz BCOPCIZQNXJUHG-RYUDHWBXSA-N 0 0 311.426 0.611 10 0 DCAERN C[C@H](NC(=O)N1CCCNC(=O)[C@H]1C)C(=O)N1CCCC[C@H]1C ZINC000248729387 395996025 /nfs/dbraw/zinc/99/60/25/395996025.db2.gz FBKPKDMLJUNPHX-FRRDWIJNSA-N 0 0 324.425 0.696 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000248797969 395997071 /nfs/dbraw/zinc/99/70/71/395997071.db2.gz UNHIGZANNFSZRC-LPWJVIDDSA-N 0 0 307.394 0.864 10 0 DCAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)[C@H](C)CO ZINC000151956028 395997725 /nfs/dbraw/zinc/99/77/25/395997725.db2.gz BWQZPVGHNYLQLO-VXGBXAGGSA-N 0 0 314.407 0.488 10 0 DCAERN Cc1ccc(OC[C@H](O)CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000252652201 396023261 /nfs/dbraw/zinc/02/32/61/396023261.db2.gz IUTINGSCPFSQSC-UONOGXRCSA-N 0 0 305.378 0.444 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153401217 396024397 /nfs/dbraw/zinc/02/43/97/396024397.db2.gz ZGUBCUOFCNGHCX-NEPJUHHUSA-N 0 0 316.423 0.327 10 0 DCAERN Cn1cc(/C=C\c2nc(-c3ccccn3)no2)c(=O)n(C)c1=O ZINC000255640348 396032789 /nfs/dbraw/zinc/03/27/89/396032789.db2.gz KBVMQDFQIPTARX-SREVYHEPSA-N 0 0 311.301 0.699 10 0 DCAERN CC(=O)N[C@@H]1CCCN([C@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000255384160 396032877 /nfs/dbraw/zinc/03/28/77/396032877.db2.gz AOUMGAFGJJUPHP-MWLCHTKSSA-N 0 0 307.402 0.181 10 0 DCAERN COCCN1CCOC[C@H]2CCN(C(=O)c3ocnc3C)C[C@H]21 ZINC000257194196 396036049 /nfs/dbraw/zinc/03/60/49/396036049.db2.gz STKVJFPRNSPGRG-ZIAGYGMSSA-N 0 0 323.393 0.792 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC000154611760 396040037 /nfs/dbraw/zinc/04/00/37/396040037.db2.gz IDPMDTIWLQOLBW-GHMZBOCLSA-N 0 0 305.382 0.750 10 0 DCAERN CC1(C)CN(C[C@H](O)COc2ccccc2)CCS1(=O)=O ZINC000155122791 396046955 /nfs/dbraw/zinc/04/69/55/396046955.db2.gz OPKJTXNQPMXDPX-ZDUSSCGKSA-N 0 0 313.419 0.935 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155304254 396049205 /nfs/dbraw/zinc/04/92/05/396049205.db2.gz FXCUKDXQLXEUJY-SECBINFHSA-N 0 0 317.436 0.979 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261615108 396049404 /nfs/dbraw/zinc/04/94/04/396049404.db2.gz COEVDNMVFGHODO-GFCCVEGCSA-N 0 0 307.379 0.448 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000155293283 396049743 /nfs/dbraw/zinc/04/97/43/396049743.db2.gz BGMMACYIXJPHBB-SNVBAGLBSA-N 0 0 318.345 0.657 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000155449968 396051795 /nfs/dbraw/zinc/05/17/95/396051795.db2.gz AZSRPZXUZILUIT-LLVKDONJSA-N 0 0 322.413 0.542 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000155642433 396055491 /nfs/dbraw/zinc/05/54/91/396055491.db2.gz MEZIWISKEXULJR-ZDUSSCGKSA-N 0 0 310.419 0.730 10 0 DCAERN O=C([C@@H]1CCCN1Cc1nnnn1C1CC1)N1CCSCC1 ZINC000068554823 396059050 /nfs/dbraw/zinc/05/90/50/396059050.db2.gz CIDLKZGZYFHYLE-LBPRGKRZSA-N 0 0 322.438 0.548 10 0 DCAERN COc1cccc(CNC(=O)NC[C@H](C)CN2CCOCC2)n1 ZINC000158208854 396064062 /nfs/dbraw/zinc/06/40/62/396064062.db2.gz NSRPXIMGIBIBFC-ZDUSSCGKSA-N 0 0 322.409 0.858 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CCCS(=O)(=O)N(C)C)[C@H]2C1 ZINC000157891308 396064166 /nfs/dbraw/zinc/06/41/66/396064166.db2.gz KELQERNVUZDBMT-HZSPNIEDSA-N 0 0 320.455 0.536 10 0 DCAERN Cc1noc(COCC(=O)NC[C@@]2(O)CCc3ccccc32)n1 ZINC000159288831 396066941 /nfs/dbraw/zinc/06/69/41/396066941.db2.gz JIKUXSBWCQYDHM-INIZCTEOSA-N 0 0 317.345 0.845 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000276506490 396005084 /nfs/dbraw/zinc/00/50/84/396005084.db2.gz QKADZEUCWFMWEQ-ZDUSSCGKSA-N 0 0 317.172 0.985 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NCc2ccn(C3CCCC3)n2)CCO1 ZINC000152340490 396006292 /nfs/dbraw/zinc/00/62/92/396006292.db2.gz WPLVVAZWRNGFNT-ZDUSSCGKSA-N 0 0 321.381 0.394 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H](O)C1 ZINC000249371182 396007112 /nfs/dbraw/zinc/00/71/12/396007112.db2.gz BPAZHVLLEJVQQC-QWHCGFSZSA-N 0 0 305.382 0.612 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1cnn(CC(F)F)c1 ZINC000152346840 396007592 /nfs/dbraw/zinc/00/75/92/396007592.db2.gz KGIBYTRMXNCYNQ-UHFFFAOYSA-N 0 0 309.276 0.912 10 0 DCAERN CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152389970 396008162 /nfs/dbraw/zinc/00/81/62/396008162.db2.gz OZUPVDWGPAPKJA-NSHDSACASA-N 0 0 320.397 0.638 10 0 DCAERN O=C(CN1CCC[C@]12CCOC2=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249557013 396009420 /nfs/dbraw/zinc/00/94/20/396009420.db2.gz KDYWOMLNRVESOO-JKIFEVAISA-N 0 0 322.405 0.938 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H]2CCc3nccn3C2)CCC1=O ZINC000276571441 396010760 /nfs/dbraw/zinc/01/07/60/396010760.db2.gz GWYWYMAOKLEXEW-NWDGAFQWSA-N 0 0 305.382 0.366 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250245032 396014714 /nfs/dbraw/zinc/01/47/14/396014714.db2.gz WGWBYFGSMGPPMP-QWHCGFSZSA-N 0 0 315.439 0.107 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000152911962 396018017 /nfs/dbraw/zinc/01/80/17/396018017.db2.gz MWPDMLCDTXKWMQ-QWHCGFSZSA-N 0 0 320.418 0.698 10 0 DCAERN Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000153021209 396019798 /nfs/dbraw/zinc/01/97/98/396019798.db2.gz MHEYNHOLPGMXFF-AAEUAGOBSA-N 0 0 301.346 0.353 10 0 DCAERN O=c1c(I)c(Cl)ncn1CCO ZINC000164902288 396087371 /nfs/dbraw/zinc/08/73/71/396087371.db2.gz VMOSFBFDWZPNRY-UHFFFAOYSA-N 0 0 300.483 0.494 10 0 DCAERN COCCN1CC[C@@H](N2CCN(Cc3ccc[nH]3)CC2)C1=O ZINC000169793247 396093995 /nfs/dbraw/zinc/09/39/95/396093995.db2.gz LDSDNXAVDOJDGW-OAHLLOKOSA-N 0 0 306.410 0.380 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC[C@H](n2cncn2)C1)C(C)C ZINC000170982635 396103091 /nfs/dbraw/zinc/10/30/91/396103091.db2.gz WMFIXCHSOYKMRB-NWDGAFQWSA-N 0 0 309.370 0.822 10 0 DCAERN CN(CC(=O)Nc1cc(-c2ccncc2)[nH]n1)S(C)(=O)=O ZINC000171294103 396113577 /nfs/dbraw/zinc/11/35/77/396113577.db2.gz JMIRJQMTPUHFIL-UHFFFAOYSA-N 0 0 309.351 0.302 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CCNS(C)(=O)=O)cn1 ZINC000171352901 396115342 /nfs/dbraw/zinc/11/53/42/396115342.db2.gz CFLXIPRVIIIBMD-LLVKDONJSA-N 0 0 300.384 0.023 10 0 DCAERN NS(=O)(=O)CCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000171559865 396118790 /nfs/dbraw/zinc/11/87/90/396118790.db2.gz FJQNKCUNZNTDKC-UHFFFAOYSA-N 0 0 324.406 0.628 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000171651840 396121493 /nfs/dbraw/zinc/12/14/93/396121493.db2.gz GUXCBVKINONDDE-LLVKDONJSA-N 0 0 312.801 0.846 10 0 DCAERN Cn1c2ccc(S(=O)(=O)NCC3(C)COC3)cc2oc1=O ZINC000171840487 396126080 /nfs/dbraw/zinc/12/60/80/396126080.db2.gz QMDLMGHNOIRDJD-UHFFFAOYSA-N 0 0 312.347 0.446 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)NCc2cccc(C)n2)CCO1 ZINC000172278098 396130470 /nfs/dbraw/zinc/13/04/70/396130470.db2.gz SVROYHRWZHFFDQ-AWEZNQCLSA-N 0 0 306.366 0.437 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CCNS(C)(=O)=O ZINC000173033317 396134099 /nfs/dbraw/zinc/13/40/99/396134099.db2.gz RFBSRSGGSVIIFG-UHFFFAOYSA-N 0 0 302.400 0.095 10 0 DCAERN CC(C)OCCS(=O)(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000175073298 396139817 /nfs/dbraw/zinc/13/98/17/396139817.db2.gz LKSNXYIJVKHJAK-UHFFFAOYSA-N 0 0 320.455 0.978 10 0 DCAERN [NH3+]C[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccc(F)cc1 ZINC000261948092 396082470 /nfs/dbraw/zinc/08/24/70/396082470.db2.gz LGXLQCNUFGWBBU-AWEZNQCLSA-N 0 0 305.353 0.701 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263223659 396206892 /nfs/dbraw/zinc/20/68/92/396206892.db2.gz MKTDUIBEFZOOEE-OUAUKWLOSA-N 0 0 303.353 0.747 10 0 DCAERN C/C(=C\c1ccc(F)cc1)C(=O)NCCNS(C)(=O)=O ZINC000175885344 396144557 /nfs/dbraw/zinc/14/45/57/396144557.db2.gz YFDIYQNFPRTRMR-MDZDMXLPSA-N 0 0 300.355 0.894 10 0 DCAERN CCc1nc(C2(NC(=O)CN3CCOCC3=O)CCCC2)no1 ZINC000280584048 396209514 /nfs/dbraw/zinc/20/95/14/396209514.db2.gz WWHISKDEFDZRLK-UHFFFAOYSA-N 0 0 322.365 0.376 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCCNC(=O)C1CC1 ZINC000176286431 396154138 /nfs/dbraw/zinc/15/41/38/396154138.db2.gz XLRASWGKFFVEFO-GFCCVEGCSA-N 0 0 305.382 0.844 10 0 DCAERN Cn1cc(C(=O)NC[C@H](O)CN2CCOCC2)c2ccccc21 ZINC000176443262 396155785 /nfs/dbraw/zinc/15/57/85/396155785.db2.gz SOFJXGDNWFWVIR-ZDUSSCGKSA-N 0 0 317.389 0.601 10 0 DCAERN CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000262598385 396159769 /nfs/dbraw/zinc/15/97/69/396159769.db2.gz AKGVNEJOUGXZDE-NTSWFWBYSA-N 0 0 307.401 0.222 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176803853 396160856 /nfs/dbraw/zinc/16/08/56/396160856.db2.gz VBKKTJOEOKTXCU-RYUDHWBXSA-N 0 0 318.439 0.527 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000074523494 396167938 /nfs/dbraw/zinc/16/79/38/396167938.db2.gz KDIBMENLVHPBRS-NEPJUHHUSA-N 0 0 308.382 0.407 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCCn2ncnc21)Cn1cccn1 ZINC000177319979 396172028 /nfs/dbraw/zinc/17/20/28/396172028.db2.gz VCFAIRBMHCAKHR-VXGBXAGGSA-N 0 0 303.370 0.945 10 0 DCAERN COc1ccncc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177391660 396173564 /nfs/dbraw/zinc/17/35/64/396173564.db2.gz VPNPBTJIHJKAID-GFCCVEGCSA-N 0 0 318.377 0.725 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000177400683 396174151 /nfs/dbraw/zinc/17/41/51/396174151.db2.gz RGAULFANEQEZGW-VIFPVBQESA-N 0 0 303.355 0.615 10 0 DCAERN O=C(CSC[C@H](O)CO)NCCN1CCc2ccccc21 ZINC000177426855 396174964 /nfs/dbraw/zinc/17/49/64/396174964.db2.gz QEBCWPBVZYWLCU-CYBMUJFWSA-N 0 0 310.419 0.252 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(CNC(N)=O)cc2)n1 ZINC000263279454 396211313 /nfs/dbraw/zinc/21/13/13/396211313.db2.gz UAAHVPNCCLMDDG-LBPRGKRZSA-N 0 0 316.365 0.481 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177634948 396180102 /nfs/dbraw/zinc/18/01/02/396180102.db2.gz KEANOSIJISYROE-GFCCVEGCSA-N 0 0 313.361 0.965 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000177635841 396180231 /nfs/dbraw/zinc/18/02/31/396180231.db2.gz ZFZYOVFBVGSMBM-CYBMUJFWSA-N 0 0 313.361 0.910 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633421 396180304 /nfs/dbraw/zinc/18/03/04/396180304.db2.gz RMLHCULVJBGADO-LLVKDONJSA-N 0 0 317.324 0.795 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000177789795 396183932 /nfs/dbraw/zinc/18/39/32/396183932.db2.gz OYKRZRWKAOARSB-MNOVXSKESA-N 0 0 305.378 0.704 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)[C@H](C)CO ZINC000177804461 396183941 /nfs/dbraw/zinc/18/39/41/396183941.db2.gz VVTAVLRMYIDUGH-GHMZBOCLSA-N 0 0 317.349 0.339 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000075656277 396184166 /nfs/dbraw/zinc/18/41/66/396184166.db2.gz JCOQTZZLDZTQKR-GFCCVEGCSA-N 0 0 317.455 0.906 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000177947381 396186684 /nfs/dbraw/zinc/18/66/84/396186684.db2.gz YTXCZKJIXZRIRD-JTQLQIEISA-N 0 0 318.420 0.876 10 0 DCAERN CS(=O)(=O)Nc1cccc2c1CCN([C@@H]1CCNC1=O)C2 ZINC000178193853 396191154 /nfs/dbraw/zinc/19/11/54/396191154.db2.gz KTVRTUOBIOJLAF-CYBMUJFWSA-N 0 0 309.391 0.305 10 0 DCAERN CCNc1nc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cs1 ZINC000178406525 396195687 /nfs/dbraw/zinc/19/56/87/396195687.db2.gz DDUDTALALOIXHU-QMMMGPOBSA-N 0 0 303.409 0.834 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N[C@H]2CCCOC2)c1 ZINC000178546822 396198322 /nfs/dbraw/zinc/19/83/22/396198322.db2.gz UNCFJQYJKIBZCH-ZDUSSCGKSA-N 0 0 306.362 0.649 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCCNC(C)=O ZINC000182056020 396245625 /nfs/dbraw/zinc/24/56/25/396245625.db2.gz FVUCBUQLFLJRAF-UHFFFAOYSA-N 0 0 305.338 0.233 10 0 DCAERN CC(C)OCCN1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182469213 396250883 /nfs/dbraw/zinc/25/08/83/396250883.db2.gz OCWLDLSRROEUEO-UHFFFAOYSA-N 0 0 324.429 0.420 10 0 DCAERN CC(C)N(CCc1nccs1)C(=O)Cn1ncn(C)c1=O ZINC000182672917 396252722 /nfs/dbraw/zinc/25/27/22/396252722.db2.gz LAUXTMXADJVEDK-UHFFFAOYSA-N 0 0 309.395 0.518 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)Nc1nccn(C)c1=O ZINC000182722023 396253270 /nfs/dbraw/zinc/25/32/70/396253270.db2.gz RLDSKQRHIZQQOS-UHFFFAOYSA-N 0 0 304.354 0.955 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1N1CCOCC1 ZINC000182787953 396254320 /nfs/dbraw/zinc/25/43/20/396254320.db2.gz FWZSHVKZRUPCBM-RISCZKNCSA-N 0 0 315.377 0.751 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCCn1ccnn1 ZINC000182770324 396254506 /nfs/dbraw/zinc/25/45/06/396254506.db2.gz RTDNVMLIDDQKBR-LLVKDONJSA-N 0 0 319.413 0.949 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NCCCn1ccnn1 ZINC000183000850 396258184 /nfs/dbraw/zinc/25/81/84/396258184.db2.gz YLDKHONYMZZUQJ-NSHDSACASA-N 0 0 311.411 0.486 10 0 DCAERN NC(=O)CN(CC(N)=O)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183114491 396261306 /nfs/dbraw/zinc/26/13/06/396261306.db2.gz STAPMFKDTBWNDV-UHFFFAOYSA-N 0 0 323.315 0.544 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCCc2nc(C)no2)c1 ZINC000183340251 396267429 /nfs/dbraw/zinc/26/74/29/396267429.db2.gz DUHUZIAOSRQZPI-UHFFFAOYSA-N 0 0 318.333 0.475 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)CC(=O)N1C ZINC000282169448 396269098 /nfs/dbraw/zinc/26/90/98/396269098.db2.gz KQLWRXFXBVBQCL-AAEUAGOBSA-N 0 0 303.362 0.862 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000183587622 396271913 /nfs/dbraw/zinc/27/19/13/396271913.db2.gz PQOPHMPZXAPMTL-CHWSQXEVSA-N 0 0 306.410 0.675 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1nccn(C)c1=O ZINC000183838806 396276184 /nfs/dbraw/zinc/27/61/84/396276184.db2.gz JFAPLXHXXNPKMD-LLVKDONJSA-N 0 0 321.381 0.645 10 0 DCAERN COc1cc(N2CCN([C@H](C)C(=O)NC(C)(C)C)CC2)ncn1 ZINC000184068818 396283363 /nfs/dbraw/zinc/28/33/63/396283363.db2.gz WJUWSNJMKQLERB-GFCCVEGCSA-N 0 0 321.425 0.910 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CC(CC(N)=O)C3)ccc2O1 ZINC000280662756 396213234 /nfs/dbraw/zinc/21/32/34/396213234.db2.gz BFFXZKZUUQCLEY-SECBINFHSA-N 0 0 310.375 0.506 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCO2)c1 ZINC000263317298 396213532 /nfs/dbraw/zinc/21/35/32/396213532.db2.gz ZRLYHOSJCJPIDC-NEPJUHHUSA-N 0 0 314.336 0.416 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CC(CC(N)=O)C3)ccc2O1 ZINC000280662760 396213750 /nfs/dbraw/zinc/21/37/50/396213750.db2.gz BFFXZKZUUQCLEY-VIFPVBQESA-N 0 0 310.375 0.506 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(OCC(C)C)CC1 ZINC000179037174 396218496 /nfs/dbraw/zinc/21/84/96/396218496.db2.gz YKROKJIDZYJDOO-UHFFFAOYSA-N 0 0 300.399 0.755 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)c1 ZINC000179344058 396225990 /nfs/dbraw/zinc/22/59/90/396225990.db2.gz GYYMRQCMHSVFJV-UMSPYCQHSA-N 0 0 312.391 0.615 10 0 DCAERN O=C(/C=C/c1ccc(Cl)nc1)NC[C@H]1CN2CCN1CC2 ZINC000179455156 396227828 /nfs/dbraw/zinc/22/78/28/396227828.db2.gz LAUXXQYNBFUHAK-OHVSUOQFSA-N 0 0 306.797 0.864 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1CC ZINC000180183017 396231821 /nfs/dbraw/zinc/23/18/21/396231821.db2.gz LBXSOSXGDUUPPB-UHFFFAOYSA-N 0 0 320.389 0.875 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077774080 396232676 /nfs/dbraw/zinc/23/26/76/396232676.db2.gz NPSXSFVCEUKFGM-JSGCOSHPSA-N 0 0 320.393 0.662 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000082980232 396311473 /nfs/dbraw/zinc/31/14/73/396311473.db2.gz WKGKKRIHTKQAKE-QWRGUYRKSA-N 0 0 306.370 0.328 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)Cn2cccn2)CC1 ZINC000184938677 396311638 /nfs/dbraw/zinc/31/16/38/396311638.db2.gz MSXYXYWYGYAKOP-GJZGRUSLSA-N 0 0 323.441 0.617 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)CC1 ZINC000184938661 396311666 /nfs/dbraw/zinc/31/16/66/396311666.db2.gz MSXYXYWYGYAKOP-HUUCEWRRSA-N 0 0 323.441 0.617 10 0 DCAERN C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184960061 396312799 /nfs/dbraw/zinc/31/27/99/396312799.db2.gz VRUDNKWGMXOUOG-SECBINFHSA-N 0 0 310.379 0.521 10 0 DCAERN O=C(CCn1cccn1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185023473 396313888 /nfs/dbraw/zinc/31/38/88/396313888.db2.gz MTUAOLHMPNISLR-AWEZNQCLSA-N 0 0 313.361 0.980 10 0 DCAERN NC(=O)N[C@H](CC(=O)NCCCn1ccnn1)c1cccs1 ZINC000185073777 396316928 /nfs/dbraw/zinc/31/69/28/396316928.db2.gz AHJOUXJTYHVTGX-SNVBAGLBSA-N 0 0 322.394 0.646 10 0 DCAERN C[C@H]1SCCN(C(=O)Cn2cnc3c2ncnc3N)[C@@H]1C ZINC000265432476 396317427 /nfs/dbraw/zinc/31/74/27/396317427.db2.gz GDBMOHUGZRWZOK-RKDXNWHRSA-N 0 0 306.395 0.761 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC(=O)N1C ZINC000282423939 396289535 /nfs/dbraw/zinc/28/95/35/396289535.db2.gz QMZJTFVSUADENJ-ZWNOBZJWSA-N 0 0 317.345 0.465 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](OC)c1cnn(C)c1 ZINC000282436058 396290082 /nfs/dbraw/zinc/29/00/82/396290082.db2.gz SASPVFDHVSSCEZ-AHLTXXRQSA-N 0 0 321.377 0.908 10 0 DCAERN COc1cc(N2CCN(C(=O)C3(O)CCCCC3)CC2)ncn1 ZINC000184318974 396290118 /nfs/dbraw/zinc/29/01/18/396290118.db2.gz KIOBLIVSABDCRW-UHFFFAOYSA-N 0 0 320.393 0.829 10 0 DCAERN CSc1nsc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)n1 ZINC000282856101 396292781 /nfs/dbraw/zinc/29/27/81/396292781.db2.gz WUMXFFNUWRNNHH-ZCFIWIBFSA-N 0 0 301.397 0.954 10 0 DCAERN O=C1CCN(S(=O)(=O)C2=Cc3ccccc3OCC2)CCN1 ZINC000184386667 396293744 /nfs/dbraw/zinc/29/37/44/396293744.db2.gz MLRDSDOVDKWBPD-UHFFFAOYSA-N 0 0 322.386 0.962 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N(CCO)Cc1cccnc1 ZINC000184432853 396294991 /nfs/dbraw/zinc/29/49/91/396294991.db2.gz ANTWAYQODDEDPK-WCQYABFASA-N 0 0 300.380 0.383 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000185171490 396320372 /nfs/dbraw/zinc/32/03/72/396320372.db2.gz ZSYUEQJOSMHCFZ-WDEREUQCSA-N 0 0 316.361 0.863 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000184805654 396307286 /nfs/dbraw/zinc/30/72/86/396307286.db2.gz RECXPBHJYRSEGC-CQSZACIVSA-N 0 0 309.414 0.371 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000265345103 396308766 /nfs/dbraw/zinc/30/87/66/396308766.db2.gz QVFBJELDVFPJHE-SNVBAGLBSA-N 0 0 312.347 0.179 10 0 DCAERN Cc1ccc(CS(=O)(=O)C[C@@H](O)Cn2cccn2)c(C)n1 ZINC000185243385 396322899 /nfs/dbraw/zinc/32/28/99/396322899.db2.gz SGVSYQOLKQKFHV-AWEZNQCLSA-N 0 0 309.391 0.871 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(Cc1nc(N(C)C)no1)CC2 ZINC000185266230 396324119 /nfs/dbraw/zinc/32/41/19/396324119.db2.gz KPZJZORQGKZVME-RYUDHWBXSA-N 0 0 310.398 0.888 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)N[C@@H]1CCOC1 ZINC000185565682 396330582 /nfs/dbraw/zinc/33/05/82/396330582.db2.gz IMFDJLUFWLNYJT-GFCCVEGCSA-N 0 0 324.356 0.645 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCc2ccccc2[C@@H]1CO ZINC000185642915 396331738 /nfs/dbraw/zinc/33/17/38/396331738.db2.gz DNNOTEZUNRIZHC-HNNXBMFYSA-N 0 0 313.357 0.856 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccon2)CCN1CCOC ZINC000185823369 396335025 /nfs/dbraw/zinc/33/50/25/396335025.db2.gz BLBGFGWLKYXRQK-LLVKDONJSA-N 0 0 310.354 0.182 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000186186809 396344096 /nfs/dbraw/zinc/34/40/96/396344096.db2.gz WCQSYPKVKHARMU-NSHDSACASA-N 0 0 302.290 0.688 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCCN(c2ccccn2)CC1 ZINC000186108444 396341426 /nfs/dbraw/zinc/34/14/26/396341426.db2.gz MTTKDIBKQWSQKT-CYBMUJFWSA-N 0 0 313.423 0.958 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccon3)C2)c1 ZINC000186128120 396342007 /nfs/dbraw/zinc/34/20/07/396342007.db2.gz GHEWBNCRMQUJQT-LLVKDONJSA-N 0 0 303.322 0.982 10 0 DCAERN NC(=O)c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)nn1 ZINC000186144389 396342847 /nfs/dbraw/zinc/34/28/47/396342847.db2.gz VSKUKDUCROJJGN-QWRGUYRKSA-N 0 0 304.375 0.849 10 0 DCAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 ZINC000283706235 396343654 /nfs/dbraw/zinc/34/36/54/396343654.db2.gz XZEWEONYEBBABL-XQQFMLRXSA-N 0 0 300.362 0.703 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000285815980 396355826 /nfs/dbraw/zinc/35/58/26/396355826.db2.gz ZMKSFIBGOJVABS-BXKDBHETSA-N 0 0 323.422 0.289 10 0 DCAERN CCC(CC)(CO)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187175936 396364677 /nfs/dbraw/zinc/36/46/77/396364677.db2.gz NANJPKLKAKZHKS-UHFFFAOYSA-N 0 0 304.350 0.847 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)O1 ZINC000187329173 396367972 /nfs/dbraw/zinc/36/79/72/396367972.db2.gz XFQSRBRLTXSSBO-JQWIXIFHSA-N 0 0 306.366 0.836 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CC1 ZINC000187524571 396370452 /nfs/dbraw/zinc/37/04/52/396370452.db2.gz HMAPAIBSUCBLGH-SECBINFHSA-N 0 0 307.375 0.734 10 0 DCAERN Cn1nnc2ccc(C(=O)NC[C@H]3CN(C4CC4)CCO3)cc21 ZINC000186384504 396349079 /nfs/dbraw/zinc/34/90/79/396349079.db2.gz KJZXJAMYKVFVDY-ZDUSSCGKSA-N 0 0 315.377 0.561 10 0 DCAERN CNC(=O)CC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186393651 396349361 /nfs/dbraw/zinc/34/93/61/396349361.db2.gz KFBUDHYDIWHEDX-UHFFFAOYSA-N 0 0 312.316 0.911 10 0 DCAERN O=S(=O)(CC1CC1)NCCn1cc(Br)cn1 ZINC000285472504 396350340 /nfs/dbraw/zinc/35/03/40/396350340.db2.gz CEXGKHHEFJRENL-UHFFFAOYSA-N 0 0 308.201 0.975 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000285607295 396351323 /nfs/dbraw/zinc/35/13/23/396351323.db2.gz XWMDHFGHJKXXKP-CABCVRRESA-N 0 0 322.409 0.948 10 0 DCAERN C[C@H](C(=O)N1CC(NC(=O)C2CCC2)C1)N1CCSCC1 ZINC000188516751 396382946 /nfs/dbraw/zinc/38/29/46/396382946.db2.gz JVUWUCINUQOWAK-LLVKDONJSA-N 0 0 311.451 0.551 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N2CCN3CCC2CC3)CC1 ZINC000188609004 396383745 /nfs/dbraw/zinc/38/37/45/396383745.db2.gz HOHWZNLFTNCLFZ-UHFFFAOYSA-N 0 0 300.424 0.508 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2cccnc2)CCN1CCO ZINC000188807728 396386350 /nfs/dbraw/zinc/38/63/50/396386350.db2.gz CXKWXDLRYAOJAT-ZDUSSCGKSA-N 0 0 309.435 0.840 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188898618 396388663 /nfs/dbraw/zinc/38/86/63/396388663.db2.gz MRGZFORXVIZASO-GFCCVEGCSA-N 0 0 322.409 0.307 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1c(F)cccc1F ZINC000189041208 396389734 /nfs/dbraw/zinc/38/97/34/396389734.db2.gz XTZGJQMDEAYNRI-GFCCVEGCSA-N 0 0 319.329 0.737 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2CCCn3ccnc32)CC1=O ZINC000189059362 396390712 /nfs/dbraw/zinc/39/07/12/396390712.db2.gz BJJHYFXNPDPURY-CYBMUJFWSA-N 0 0 320.393 0.468 10 0 DCAERN COCc1ccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189306682 396393556 /nfs/dbraw/zinc/39/35/56/396393556.db2.gz FSKWCSWZJXAQIS-CYBMUJFWSA-N 0 0 319.405 0.660 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000189506176 396395884 /nfs/dbraw/zinc/39/58/84/396395884.db2.gz OURAGGYMQAKZRC-VXGBXAGGSA-N 0 0 308.378 0.703 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCNC(=O)C3CC3)CC2)n[nH]1 ZINC000189696562 396397889 /nfs/dbraw/zinc/39/78/89/396397889.db2.gz GWNGNJDUZXKKGI-UHFFFAOYSA-N 0 0 320.397 0.076 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCOC[C@H]3CCCO3)CC2)n[nH]1 ZINC000189768343 396399078 /nfs/dbraw/zinc/39/90/78/396399078.db2.gz ZRRXFDDTGDWMDC-CQSZACIVSA-N 0 0 322.409 0.952 10 0 DCAERN CN1CCCN(C(=O)c2cn(Cc3cccs3)nn2)CC1=O ZINC000189805630 396399294 /nfs/dbraw/zinc/39/92/94/396399294.db2.gz ZDLHGJUCUSMHFI-UHFFFAOYSA-N 0 0 319.390 0.692 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCOCC(F)(F)C(F)(F)F ZINC000189805602 396399456 /nfs/dbraw/zinc/39/94/56/396399456.db2.gz FJDGOKLNUPFBDE-ZETCQYMHSA-N 0 0 306.231 0.387 10 0 DCAERN COCCn1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)n1 ZINC000190211192 396402801 /nfs/dbraw/zinc/40/28/01/396402801.db2.gz UEHLELXVFCNXHX-LSDHHAIUSA-N 0 0 301.346 0.918 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190286864 396404523 /nfs/dbraw/zinc/40/45/23/396404523.db2.gz CDNJXMLGTAHYDH-JOYOIKCWSA-N 0 0 312.391 0.824 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1=O ZINC000190516107 396406925 /nfs/dbraw/zinc/40/69/25/396406925.db2.gz WQYHXZNCGCUUIS-ZDUSSCGKSA-N 0 0 315.373 0.996 10 0 DCAERN CN1CCCN(C(=O)CS(=O)(=O)C2CCCC2)CC1=O ZINC000190633268 396408904 /nfs/dbraw/zinc/40/89/04/396408904.db2.gz ILHYNWZYLICERY-UHFFFAOYSA-N 0 0 302.396 0.035 10 0 DCAERN OCc1cc2ccccc2nc1NC[C@H](O)CN1CCOCC1 ZINC000269353439 396409426 /nfs/dbraw/zinc/40/94/26/396409426.db2.gz KHRWRKIDHUSLLN-HNNXBMFYSA-N 0 0 317.389 0.832 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c1Cl ZINC000190648887 396409499 /nfs/dbraw/zinc/40/94/99/396409499.db2.gz ZZOGXGKMVZRISH-HLTSFMKQSA-N 0 0 305.787 0.919 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772391 396410873 /nfs/dbraw/zinc/41/08/73/396410873.db2.gz MFXBXYGEPCIVOQ-KBPBESRZSA-N 0 0 313.442 0.860 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)[C@H]1CCCc2c(O)cccc21 ZINC000190800001 396411605 /nfs/dbraw/zinc/41/16/05/396411605.db2.gz VZWOAYPPFFDCMB-BBRMVZONSA-N 0 0 315.417 0.928 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)n[nH]1 ZINC000269406872 396412064 /nfs/dbraw/zinc/41/20/64/396412064.db2.gz XRGSNTYSWZGLQN-GXFFZTMASA-N 0 0 306.366 0.784 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)C[C@H](C)O1 ZINC000190894844 396412353 /nfs/dbraw/zinc/41/23/53/396412353.db2.gz CSUFACYNBIPENC-DRZSPHRISA-N 0 0 323.397 0.867 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 ZINC000191208329 396416572 /nfs/dbraw/zinc/41/65/72/396416572.db2.gz NIMPUZANGIJFMH-DGCLKSJQSA-N 0 0 306.362 0.702 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191195462 396416674 /nfs/dbraw/zinc/41/66/74/396416674.db2.gz YBBIHFUIWBIJJQ-LBPRGKRZSA-N 0 0 307.398 0.499 10 0 DCAERN CCCCc1nnc(NC(=O)CN2CC(=O)N(CC)C2)s1 ZINC000191555539 396421110 /nfs/dbraw/zinc/42/11/10/396421110.db2.gz LOZSMCBRLIKFKB-UHFFFAOYSA-N 0 0 311.411 0.941 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000191568381 396422133 /nfs/dbraw/zinc/42/21/33/396422133.db2.gz HQOAAWYAINRNMD-GFCCVEGCSA-N 0 0 305.378 0.708 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000191630867 396422516 /nfs/dbraw/zinc/42/25/16/396422516.db2.gz VCLLCEFHXWZFOK-LBPRGKRZSA-N 0 0 315.373 0.985 10 0 DCAERN CCCC(=O)NCC(=O)NC[C@@]1(O)C[C@@H](OCC)C1(C)C ZINC000191703775 396423454 /nfs/dbraw/zinc/42/34/54/396423454.db2.gz PTSBQJFDWGZAKO-ABAIWWIYSA-N 0 0 300.399 0.585 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000191761611 396424631 /nfs/dbraw/zinc/42/46/31/396424631.db2.gz HMNHCUPZNHSVRY-NSHDSACASA-N 0 0 324.402 0.831 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)CC[C@H]2C)c1 ZINC000192008024 396427641 /nfs/dbraw/zinc/42/76/41/396427641.db2.gz UNLJIPIRHRVKKP-GFCCVEGCSA-N 0 0 314.411 0.410 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000193019125 396442362 /nfs/dbraw/zinc/44/23/62/396442362.db2.gz GAFDOOILGCFIGS-NSHDSACASA-N 0 0 309.414 0.971 10 0 DCAERN CO[C@@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC[C@H]1C ZINC000187892223 396375617 /nfs/dbraw/zinc/37/56/17/396375617.db2.gz BBEPBCHYNUUODR-GHMZBOCLSA-N 0 0 318.381 0.673 10 0 DCAERN CN1CCCN(C(=O)NCCC(=O)N2CCCCCC2)CC1=O ZINC000187964191 396376858 /nfs/dbraw/zinc/37/68/58/396376858.db2.gz AMIUDRNDJRITHE-UHFFFAOYSA-N 0 0 324.425 0.653 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188082483 396378223 /nfs/dbraw/zinc/37/82/23/396378223.db2.gz BNSOPIDPJOEVTH-RYUDHWBXSA-N 0 0 306.362 0.683 10 0 DCAERN Cc1nc(C(=O)N2CCC(Cn3cncn3)CC2)c(=O)[nH]c1C ZINC000188145929 396379506 /nfs/dbraw/zinc/37/95/06/396379506.db2.gz REGAVHXRYRQMFY-UHFFFAOYSA-N 0 0 316.365 0.531 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2c[nH]nc21 ZINC000268979537 396379726 /nfs/dbraw/zinc/37/97/26/396379726.db2.gz MNSDXCCKHUCGBF-MNOVXSKESA-N 0 0 301.354 0.693 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)[C@H]1C[C@@]12CCOC2 ZINC000372256860 396500560 /nfs/dbraw/zinc/50/05/60/396500560.db2.gz YMFZOPLESQPRSI-RHSMWYFYSA-N 0 0 317.389 0.961 10 0 DCAERN O=C(N[C@H]1CCCOCC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000515322595 396502225 /nfs/dbraw/zinc/50/22/25/396502225.db2.gz UMAYHVJTPXYDOD-KBPBESRZSA-N 0 0 309.410 0.368 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000372390222 396513412 /nfs/dbraw/zinc/51/34/12/396513412.db2.gz RNBRXGJDZTUEMW-HBJVGIJOSA-N 0 0 322.409 0.990 10 0 DCAERN O=C1[C@H](Nc2ncnc3nc[nH]c32)CCN1C1CCOCC1 ZINC000371825396 396478019 /nfs/dbraw/zinc/47/80/19/396478019.db2.gz TYTZAKOPOFMWKH-SNVBAGLBSA-N 0 0 302.338 0.545 10 0 DCAERN O=C(C(=O)N1CCN2CCOC[C@@H]2C1)c1ccc2c(c1)CCC2 ZINC000371868470 396479129 /nfs/dbraw/zinc/47/91/29/396479129.db2.gz ARIBTIFUWNEDBG-INIZCTEOSA-N 0 0 314.385 0.901 10 0 DCAERN O=S(=O)(c1cccc(F)c1F)N1CCN2CCOC[C@H]2C1 ZINC000371953265 396480811 /nfs/dbraw/zinc/48/08/11/396480811.db2.gz KHJVQEGNWVGQQQ-SNVBAGLBSA-N 0 0 318.345 0.670 10 0 DCAERN O=S(=O)(Cc1ccc(F)cc1)N1CCN2CCOC[C@H]2C1 ZINC000371953014 396480813 /nfs/dbraw/zinc/48/08/13/396480813.db2.gz JEAFVHVFZNTOQM-CQSZACIVSA-N 0 0 314.382 0.672 10 0 DCAERN CC(C)Oc1nccnc1N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000372014781 396482899 /nfs/dbraw/zinc/48/28/99/396482899.db2.gz BSIVANWSDYDZOU-AWEZNQCLSA-N 0 0 305.338 0.394 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(c2ncnc3c(F)cccc32)C1 ZINC000580028681 396483691 /nfs/dbraw/zinc/48/36/91/396483691.db2.gz MMWIKWYTMVLWAS-SECBINFHSA-N 0 0 310.354 0.897 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1=O ZINC000372060432 396485589 /nfs/dbraw/zinc/48/55/89/396485589.db2.gz IORSLWVHUFQOCK-OCCSQVGLSA-N 0 0 319.361 0.706 10 0 DCAERN CC(C)n1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000580130869 396488980 /nfs/dbraw/zinc/48/89/80/396488980.db2.gz OSDWGKLQWYICGW-AWEZNQCLSA-N 0 0 307.398 0.690 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC(=O)N(C)C1)CC2 ZINC000372465881 396519664 /nfs/dbraw/zinc/51/96/64/396519664.db2.gz SKAYIPNLZGJGBY-MNOVXSKESA-N 0 0 304.394 0.985 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCOCC[C@H]2C)ccc1C(N)=O ZINC000372674776 396536755 /nfs/dbraw/zinc/53/67/55/396536755.db2.gz JDVHUMGUYLMJAN-LLVKDONJSA-N 0 0 319.361 0.670 10 0 DCAERN CCOc1cc(Cl)ccc1C(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000372695836 396538583 /nfs/dbraw/zinc/53/85/83/396538583.db2.gz NXEZFVYGCZDYRO-AWEZNQCLSA-N 0 0 312.753 0.801 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372983129 396558778 /nfs/dbraw/zinc/55/87/78/396558778.db2.gz QTLOCMZLEMMFFH-UTUOFQBUSA-N 0 0 304.412 0.327 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCCC2 ZINC000373016465 396560352 /nfs/dbraw/zinc/56/03/52/396560352.db2.gz WWWXVVNRFLRIAM-GBJTYRQASA-N 0 0 324.421 0.822 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1CCN2CCOC[C@@H]2C1 ZINC000373242145 396577849 /nfs/dbraw/zinc/57/78/49/396577849.db2.gz DWLNHVMBDREXJX-ZDUSSCGKSA-N 0 0 317.393 0.233 10 0 DCAERN CCc1ncsc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000373259746 396579342 /nfs/dbraw/zinc/57/93/42/396579342.db2.gz MGEZLMWBEAAQSG-SNVBAGLBSA-N 0 0 324.406 0.187 10 0 DCAERN CC[C@@H]1CCN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000293946566 396643338 /nfs/dbraw/zinc/64/33/38/396643338.db2.gz ISRLBFIIVGHHMQ-SNVBAGLBSA-N 0 0 302.334 0.257 10 0 DCAERN CCn1cnc2c1ncnc2NCCCN1CCCS1(=O)=O ZINC000585744701 396651787 /nfs/dbraw/zinc/65/17/87/396651787.db2.gz NFMUGVVHEORYTK-UHFFFAOYSA-N 0 0 324.410 0.684 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000374262558 396651888 /nfs/dbraw/zinc/65/18/88/396651888.db2.gz KXCAELADYCYUBG-DOMZBBRYSA-N 0 0 317.389 0.771 10 0 DCAERN CC(C)(C)n1ncnc1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374306771 396654426 /nfs/dbraw/zinc/65/44/26/396654426.db2.gz AGZKREFXJYDGRU-GFCCVEGCSA-N 0 0 322.413 0.259 10 0 DCAERN COC[C@H](NC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1)C(C)C ZINC000562272728 396654813 /nfs/dbraw/zinc/65/48/13/396654813.db2.gz IAYLLYVQSLRMMI-GWCFXTLKSA-N 0 0 310.398 0.553 10 0 DCAERN Cn1cc(S(=O)(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000373670794 396606657 /nfs/dbraw/zinc/60/66/57/396606657.db2.gz IFPZXOHQDNSEQF-ZDUSSCGKSA-N 0 0 315.395 0.379 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](CO)c1ccccc1)S(C)(=O)=O ZINC000533640934 396608757 /nfs/dbraw/zinc/60/87/57/396608757.db2.gz HWVXPBPKERMBJE-YPMHNXCESA-N 0 0 314.407 0.495 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561010411 396628273 /nfs/dbraw/zinc/62/82/73/396628273.db2.gz LSIKYWMTQBRFCL-LLVKDONJSA-N 0 0 315.333 0.010 10 0 DCAERN COC[C@@H](NC(=O)C(=O)Nc1ccc2nccn2c1)C1CC1 ZINC000561014941 396628468 /nfs/dbraw/zinc/62/84/68/396628468.db2.gz APWLRMYQXIIVKX-GFCCVEGCSA-N 0 0 302.334 0.814 10 0 DCAERN COC[C@H]1NC(=O)N(CC[C@@H]2COc3ccccc3O2)C1=O ZINC000562388738 396660682 /nfs/dbraw/zinc/66/06/82/396660682.db2.gz IOBULOQMFXDCNE-GHMZBOCLSA-N 0 0 306.318 0.783 10 0 DCAERN CN(Cc1ccoc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000586595555 396661535 /nfs/dbraw/zinc/66/15/35/396661535.db2.gz XCZUZHHJORYKNB-UHFFFAOYSA-N 0 0 315.395 0.847 10 0 DCAERN CNS(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000586762314 396663137 /nfs/dbraw/zinc/66/31/37/396663137.db2.gz PMMTVGGRUJSDIX-LLVKDONJSA-N 0 0 300.380 0.981 10 0 DCAERN Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)c(O)c1 ZINC000586763153 396663836 /nfs/dbraw/zinc/66/38/36/396663836.db2.gz ZNIMGGQENSNNMJ-UHFFFAOYSA-N 0 0 312.391 0.856 10 0 DCAERN COC(=O)c1cnoc1CN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000586767948 396663951 /nfs/dbraw/zinc/66/39/51/396663951.db2.gz JAYWYBJFBXORAX-UHFFFAOYSA-N 0 0 320.353 0.206 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)[C@H](O)C(C)C)(C(=O)OC)C1(C)C ZINC000562858944 396684394 /nfs/dbraw/zinc/68/43/94/396684394.db2.gz ZQAWALMYCZQSGV-FIXISWKDSA-N 0 0 301.383 0.866 10 0 DCAERN Cc1nc(CN(C)C(=O)[C@H]2COCCN2CC(F)(F)F)no1 ZINC000375083706 396710540 /nfs/dbraw/zinc/71/05/40/396710540.db2.gz HQBCMDOJVBENLG-SECBINFHSA-N 0 0 322.287 0.600 10 0 DCAERN Cc1ccc(N2CCN(C[C@@H](O)Cn3cccn3)CC2=O)o1 ZINC000375102180 396711790 /nfs/dbraw/zinc/71/17/90/396711790.db2.gz WITWVYDXVBLOGX-CYBMUJFWSA-N 0 0 304.350 0.494 10 0 DCAERN CCOc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)ncn1 ZINC000299739647 396713442 /nfs/dbraw/zinc/71/34/42/396713442.db2.gz QYKGHNXRCUONRC-SNVBAGLBSA-N 0 0 317.353 0.407 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000300166748 396714994 /nfs/dbraw/zinc/71/49/94/396714994.db2.gz LJNHEGRBRHOLJQ-KKOKHZNYSA-N 0 0 305.396 0.361 10 0 DCAERN COC(=O)c1cn([C@@H]2CCN(C(=O)C3=COCCC3)C2)nn1 ZINC000375193088 396717167 /nfs/dbraw/zinc/71/71/67/396717167.db2.gz NANARHVVPQSHTJ-LLVKDONJSA-N 0 0 306.322 0.532 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)C(=O)Cc1cnn2c1CCCC2 ZINC000633916125 396743276 /nfs/dbraw/zinc/74/32/76/396743276.db2.gz OYRIFBIZYDKIQT-AWEZNQCLSA-N 0 0 306.410 0.551 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000305736432 396750658 /nfs/dbraw/zinc/75/06/58/396750658.db2.gz PUBZDMMKMHWFJY-LLVKDONJSA-N 0 0 308.382 0.752 10 0 DCAERN Ic1nc(CN2CCOCC2)ns1 ZINC000306314938 396755936 /nfs/dbraw/zinc/75/59/36/396755936.db2.gz PGAYARLEBKNPNM-UHFFFAOYSA-N 0 0 311.148 0.975 10 0 DCAERN CN(c1ccccc1I)S(N)(=O)=O ZINC000307709138 396758159 /nfs/dbraw/zinc/75/81/59/396758159.db2.gz LGVBPEKVPNRNNX-UHFFFAOYSA-N 0 0 312.132 0.931 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000590337815 396760482 /nfs/dbraw/zinc/76/04/82/396760482.db2.gz PJBHEDVONNCYCJ-BYNQJWBRSA-N 0 0 318.377 0.641 10 0 DCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCOCC[C@H]2C)c1 ZINC000375523252 396764851 /nfs/dbraw/zinc/76/48/51/396764851.db2.gz BMXDEUACJYASEH-LLVKDONJSA-N 0 0 319.361 0.622 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)C(F)F)cc1 ZINC000633993015 396765272 /nfs/dbraw/zinc/76/52/72/396765272.db2.gz BSOYIPKIUDBAEG-SNVBAGLBSA-N 0 0 307.318 0.836 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N1CCCC12CCC2 ZINC000375525667 396766095 /nfs/dbraw/zinc/76/60/95/396766095.db2.gz XBFJPPPSNWCBLZ-UHFFFAOYSA-N 0 0 310.441 0.274 10 0 DCAERN O=C(CN1CCO[C@H](c2cccc(O)c2)C1)NC(=O)NC1CC1 ZINC000610826349 396769154 /nfs/dbraw/zinc/76/91/54/396769154.db2.gz MOVSVONKJFPGAD-AWEZNQCLSA-N 0 0 319.361 0.754 10 0 DCAERN Cc1cc(CCNC(=O)CCN2CCCS2(=O)=O)on1 ZINC000563712080 396770835 /nfs/dbraw/zinc/77/08/35/396770835.db2.gz CYMGAULLXSTJJJ-UHFFFAOYSA-N 0 0 301.368 0.067 10 0 DCAERN C[C@H]1C(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C(=O)N1C ZINC000629504434 396774225 /nfs/dbraw/zinc/77/42/25/396774225.db2.gz YDRJEDBSUNVTPX-GXTWGEPZSA-N 0 0 318.377 0.565 10 0 DCAERN Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccnn3C)C2)cn1 ZINC000328636868 396829486 /nfs/dbraw/zinc/82/94/86/396829486.db2.gz VSMMLHGOZXMHJQ-ZDUSSCGKSA-N 0 0 322.390 0.966 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000376109558 396876891 /nfs/dbraw/zinc/87/68/91/396876891.db2.gz FIPLHTYQOYBKTC-QKPAOTATSA-N 0 0 318.373 0.615 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000591173373 396882774 /nfs/dbraw/zinc/88/27/74/396882774.db2.gz KUDCRPSENSBLPY-SCZZXKLOSA-N 0 0 324.410 0.226 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C[C@H]21 ZINC000332841128 396896311 /nfs/dbraw/zinc/89/63/11/396896311.db2.gz CTDIEWQKWAYFOT-NILFDRSVSA-N 0 0 319.409 0.382 10 0 DCAERN c1cc(N2CCN([C@H]3CCOC3)CC2)nc(N2CCOCC2)n1 ZINC000376295463 396906974 /nfs/dbraw/zinc/90/69/74/396906974.db2.gz HFUWCPGPWKWAAW-AWEZNQCLSA-N 0 0 319.409 0.224 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC000333149592 396918782 /nfs/dbraw/zinc/91/87/82/396918782.db2.gz FCIXGZBZQRQFQC-XQHKEYJVSA-N 0 0 316.423 0.773 10 0 DCAERN CN(CC1(O)CCOCC1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333181126 396919804 /nfs/dbraw/zinc/91/98/04/396919804.db2.gz PUBRDPVTCZWQSA-FRRDWIJNSA-N 0 0 303.424 0.978 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CC(F)(F)C(F)(F)C1 ZINC000334067498 396937332 /nfs/dbraw/zinc/93/73/32/396937332.db2.gz DVAMRBPVRLIAKJ-JGVFFNPUSA-N 0 0 323.250 0.514 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1C ZINC000625599656 396943965 /nfs/dbraw/zinc/94/39/65/396943965.db2.gz ZICXVBNSJSYJGD-NEPJUHHUSA-N 0 0 301.364 0.432 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@](F)(CO)C1)n1nnnc1C(C)(C)C ZINC000376576359 396948117 /nfs/dbraw/zinc/94/81/17/396948117.db2.gz ZSUPEDXLQADZBC-IINYFYTJSA-N 0 0 313.377 0.855 10 0 DCAERN O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCCC12OCCO2 ZINC000376724885 396968546 /nfs/dbraw/zinc/96/85/46/396968546.db2.gz VCMVGHVOPCWPKN-MJBXVCDLSA-N 0 0 310.394 0.509 10 0 DCAERN CCOC(=O)C1CCC(NC(=O)NCc2cn(C)nn2)CC1 ZINC000611941287 396952706 /nfs/dbraw/zinc/95/27/06/396952706.db2.gz NXFJHIOKMVDQNJ-UHFFFAOYSA-N 0 0 309.370 0.736 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000618321326 396960597 /nfs/dbraw/zinc/96/05/97/396960597.db2.gz IKUZKEDOOWCZPJ-OSMZGAPFSA-N 0 0 316.423 0.327 10 0 DCAERN COC(=O)[C@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000348203061 397037094 /nfs/dbraw/zinc/03/70/94/397037094.db2.gz NSNUIUQGTNCQBN-ZYHUDNBSSA-N 0 0 304.412 0.199 10 0 DCAERN C[C@H](CC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000625729796 396988406 /nfs/dbraw/zinc/98/84/06/396988406.db2.gz ZKGYVAORKRMKEP-HTQZYQBOSA-N 0 0 302.318 0.854 10 0 DCAERN Cc1noc(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618680271 397012386 /nfs/dbraw/zinc/01/23/86/397012386.db2.gz SVMPAZFDUNJREP-MRVPVSSYSA-N 0 0 301.368 0.397 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2c3ccccc3CC2=O)[C@@H](C)C1 ZINC000612467853 397065992 /nfs/dbraw/zinc/06/59/92/397065992.db2.gz SFPDXKKHDGJQAE-LBPRGKRZSA-N 0 0 315.373 0.655 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(CC(=O)c3cccn3C)CCO2)n1 ZINC000592253288 397137434 /nfs/dbraw/zinc/13/74/34/397137434.db2.gz AIRBYIJEKQOPGM-CQSZACIVSA-N 0 0 317.393 0.817 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cncc(O)c1 ZINC000377956529 397170719 /nfs/dbraw/zinc/17/07/19/397170719.db2.gz ZQZHTHZJMBAJMC-ZDUSSCGKSA-N 0 0 305.334 0.297 10 0 DCAERN Cc1nc([C@H]2COCCN2S(=O)(=O)N2CCC[C@H]2C)no1 ZINC000364223128 397185443 /nfs/dbraw/zinc/18/54/43/397185443.db2.gz ZWXCJAOIBHZMAS-MWLCHTKSSA-N 0 0 316.383 0.480 10 0 DCAERN COC(=O)CN1CCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000619744695 397186626 /nfs/dbraw/zinc/18/66/26/397186626.db2.gz UNHNIAWDYAQTOF-SECBINFHSA-N 0 0 300.384 0.541 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000601628466 397197361 /nfs/dbraw/zinc/19/73/61/397197361.db2.gz ZWJTZERDLXHIPM-YUNKPMOVSA-N 0 0 300.424 0.757 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC)C2=O)C1 ZINC000619829234 397197693 /nfs/dbraw/zinc/19/76/93/397197693.db2.gz HHEAPFUQEKEKNF-VXGBXAGGSA-N 0 0 311.382 0.592 10 0 DCAERN O=C(Cn1nnc(-c2ccccc2)n1)N1CC(F)(F)C[C@@H]1CO ZINC000364603944 397225677 /nfs/dbraw/zinc/22/56/77/397225677.db2.gz TUGZLTQFJCGJCY-LLVKDONJSA-N 0 0 323.303 0.569 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)O1 ZINC000385104941 397284064 /nfs/dbraw/zinc/28/40/64/397284064.db2.gz IGYSFFNTVSGIEO-MRTMQBJTSA-N 0 0 318.420 0.620 10 0 DCAERN Cn1cc(CNc2c(Br)cncc2[N+](=O)[O-])nn1 ZINC000389822287 397298681 /nfs/dbraw/zinc/29/86/81/397298681.db2.gz GXKMWNZDJSMJJI-UHFFFAOYSA-N 0 0 313.115 0.915 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cccc([S@@](C)=O)c2)C1 ZINC000613713659 397306655 /nfs/dbraw/zinc/30/66/55/397306655.db2.gz SMDHMOWDVIXQHQ-AMXDTQDGSA-N 0 0 323.418 0.958 10 0 DCAERN C[C@H](CC(=O)N1CC(n2ccnn2)C1)NC(=O)C1CCCC1 ZINC000378535656 397253424 /nfs/dbraw/zinc/25/34/24/397253424.db2.gz AGSJRFHHEKXRHE-LLVKDONJSA-N 0 0 305.382 0.746 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000399312644 397314747 /nfs/dbraw/zinc/31/47/47/397314747.db2.gz RRZMBUKZLQHWBW-YUMQZZPRSA-N 0 0 320.392 0.464 10 0 DCAERN O=S1(=O)CCCN1CCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000407948256 397332185 /nfs/dbraw/zinc/33/21/85/397332185.db2.gz UUFPWSFDXTUWLG-VIFPVBQESA-N 0 0 302.318 0.021 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000407956280 397335626 /nfs/dbraw/zinc/33/56/26/397335626.db2.gz UWZGRUHHAGPOKS-VWYCJHECSA-N 0 0 305.400 0.016 10 0 DCAERN Cc1cscc1CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000365937253 397336288 /nfs/dbraw/zinc/33/62/88/397336288.db2.gz PVPMJPRAIIBPPK-AWEZNQCLSA-N 0 0 322.390 0.892 10 0 DCAERN Cc1nn(CC(=O)N2CCN(C3CC3)C(=O)C2)c(C)c1Cl ZINC000407958468 397337092 /nfs/dbraw/zinc/33/70/92/397337092.db2.gz RMQGMUQSLOACSV-UHFFFAOYSA-N 0 0 310.785 0.987 10 0 DCAERN Cn1c2cc(C(=O)N3CCN(C4CC4)C(=O)C3)ccc2[nH]c1=O ZINC000407961913 397338311 /nfs/dbraw/zinc/33/83/11/397338311.db2.gz KSLBCAGVGOGDBF-UHFFFAOYSA-N 0 0 314.345 0.726 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1C ZINC000407972558 397342613 /nfs/dbraw/zinc/34/26/13/397342613.db2.gz UTMXGOWJJMYYBJ-GFCCVEGCSA-N 0 0 324.425 0.507 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CNC(=O)C1 ZINC000408120454 397347478 /nfs/dbraw/zinc/34/74/78/397347478.db2.gz WNWCHBNNQIZMBI-MWLCHTKSSA-N 0 0 308.359 0.157 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CC[C@H](C)C1 ZINC000408257966 397351224 /nfs/dbraw/zinc/35/12/24/397351224.db2.gz WUMWXXFILSLPPY-LOWDOPEQSA-N 0 0 316.423 0.847 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N3CC[C@](C)(O)C3)CCC(=O)N2C)cn1 ZINC000408330826 397352511 /nfs/dbraw/zinc/35/25/11/397352511.db2.gz OMJFCIYFAOTWQM-BJJXKVORSA-N 0 0 320.393 0.313 10 0 DCAERN Cc1ccc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(=O)[nH]1 ZINC000408395551 397355714 /nfs/dbraw/zinc/35/57/14/397355714.db2.gz QWPDSZYYLTYYLF-ZDUSSCGKSA-N 0 0 315.377 0.958 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000366543673 397373310 /nfs/dbraw/zinc/37/33/10/397373310.db2.gz RQOMKGVODIEUOW-LBPRGKRZSA-N 0 0 317.794 0.962 10 0 DCAERN CN(CC(=O)NCCc1nncn1C)c1ccc(Cl)cn1 ZINC000602142416 397318579 /nfs/dbraw/zinc/31/85/79/397318579.db2.gz KDYAHSGCPKEPNN-UHFFFAOYSA-N 0 0 308.773 0.659 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000478798336 397455691 /nfs/dbraw/zinc/45/56/91/397455691.db2.gz MWOJMRROLUAEDI-NSHDSACASA-N 0 0 303.362 0.447 10 0 DCAERN Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H](CO)c2ccccc2)nc1=N ZINC000614427399 397435902 /nfs/dbraw/zinc/43/59/02/397435902.db2.gz RAAKYJIPIYDBBT-OLZOCXBDSA-N 0 0 315.377 0.667 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369557357 397442600 /nfs/dbraw/zinc/44/26/00/397442600.db2.gz VANQHDSJVUZESD-ZDUSSCGKSA-N 0 0 306.428 0.196 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000369813204 397445536 /nfs/dbraw/zinc/44/55/36/397445536.db2.gz FQKBQZWWJKUBMV-QJPTWQEYSA-N 0 0 312.435 0.964 10 0 DCAERN C[C@H](CN1C[C@@]2(CCOC2)OC(C)(C)C1)CS(C)(=O)=O ZINC000369856834 397445809 /nfs/dbraw/zinc/44/58/09/397445809.db2.gz PFIQEQQCBNBWMZ-TZMCWYRMSA-N 0 0 305.440 0.937 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000471984875 397451658 /nfs/dbraw/zinc/45/16/58/397451658.db2.gz IUOFWPZMTHBPCE-CMPLNLGQSA-N 0 0 309.370 0.660 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000366705441 397393154 /nfs/dbraw/zinc/39/31/54/397393154.db2.gz VKYKWPCJXFYZJH-GRYCIOLGSA-N 0 0 303.428 0.897 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CC(=O)N(C)C3)[C@H]2C1 ZINC000578161243 397398731 /nfs/dbraw/zinc/39/87/31/397398731.db2.gz CMYIZAAJRSNYDP-RWMBFGLXSA-N 0 0 308.382 0.075 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)C1 ZINC000621578343 397400410 /nfs/dbraw/zinc/40/04/10/397400410.db2.gz LGVAXJJWYNLSEZ-QWHCGFSZSA-N 0 0 310.398 0.306 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCOC[C@H]2c2ccnn2C)C1 ZINC000621578101 397400435 /nfs/dbraw/zinc/40/04/35/397400435.db2.gz ZSZTXKOBTZGXGE-OCCSQVGLSA-N 0 0 321.381 0.124 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1 ZINC000578635459 397463566 /nfs/dbraw/zinc/46/35/66/397463566.db2.gz DCPHUQQXABDROB-SRVKXCTJSA-N 0 0 321.381 0.885 10 0 DCAERN CCCn1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)cn1 ZINC000488305180 397489425 /nfs/dbraw/zinc/48/94/25/397489425.db2.gz DUSPFLKDOLJWRD-QWRGUYRKSA-N 0 0 324.381 0.479 10 0 DCAERN O=C(CN1CCOCC1=O)NCC[C@@H]1COc2ccccc2O1 ZINC000579302186 397549139 /nfs/dbraw/zinc/54/91/39/397549139.db2.gz BDTBVLQLRQOYCW-GFCCVEGCSA-N 0 0 320.345 0.192 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1cccc2c1OCO2 ZINC000371248286 397563380 /nfs/dbraw/zinc/56/33/80/397563380.db2.gz BIPYPBKKDDTWDT-LBPRGKRZSA-N 0 0 306.318 0.279 10 0 DCAERN COc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1CO ZINC000494800566 397533621 /nfs/dbraw/zinc/53/36/21/397533621.db2.gz OJHHISQFAYENBH-UHFFFAOYSA-N 0 0 302.352 0.017 10 0 DCAERN CC(=O)NCCN(C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000579939891 397598379 /nfs/dbraw/zinc/59/83/79/397598379.db2.gz AFWIUBVOJOUOKC-UHFFFAOYSA-N 0 0 306.366 0.651 10 0 DCAERN CC[C@@H](C)[C@H](O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000604188239 397632617 /nfs/dbraw/zinc/63/26/17/397632617.db2.gz SCUIJVBTXWMGBG-VXGBXAGGSA-N 0 0 321.443 0.118 10 0 DCAERN Cn1ccnc1C[C@H](NC(=O)CS(C)(=O)=O)c1ccccc1 ZINC000608207052 397720496 /nfs/dbraw/zinc/72/04/96/397720496.db2.gz ANDPFSLPVMNAHG-ZDUSSCGKSA-N 0 0 321.402 0.865 10 0 DCAERN CCn1nc(C(=O)N[C@](C)(COC)C(F)(F)F)ccc1=O ZINC000608225441 397721434 /nfs/dbraw/zinc/72/14/34/397721434.db2.gz MMFJVGOGJMZTEB-LLVKDONJSA-N 0 0 307.272 0.960 10 0 DCAERN O=C(NCCCC1CC1)NCCCN1CCCS1(=O)=O ZINC000605601639 397670391 /nfs/dbraw/zinc/67/03/91/397670391.db2.gz PEMRDBXPMGBNDB-UHFFFAOYSA-N 0 0 303.428 0.901 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000608775288 397754311 /nfs/dbraw/zinc/75/43/11/397754311.db2.gz UDTUZWHEJJSHSH-ZDUSSCGKSA-N 0 0 320.349 0.387 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NCc2cn3ccsc3n2)CCO1 ZINC000609139151 397762035 /nfs/dbraw/zinc/76/20/35/397762035.db2.gz KMJAGWVMGRPWBP-SNVBAGLBSA-N 0 0 324.362 0.479 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000609889421 397796876 /nfs/dbraw/zinc/79/68/76/397796876.db2.gz NGGQHUNMKALWRS-LBPRGKRZSA-N 0 0 319.423 1.000 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)cn1 ZINC000610499484 397826933 /nfs/dbraw/zinc/82/69/33/397826933.db2.gz GSUPJSFUZYJABQ-UHFFFAOYSA-N 0 0 303.318 0.315 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610449057 397821937 /nfs/dbraw/zinc/82/19/37/397821937.db2.gz NNOSCINEJPFCRZ-CYBMUJFWSA-N 0 0 312.410 0.897 10 0 DCAERN COc1ccc(-c2n[nH]cc2[C@@H]2NC(=O)[C@@H]3COCCN23)cc1 ZINC000093884876 286264139 /nfs/dbraw/zinc/26/41/39/286264139.db2.gz ZMBABVDFMVVZSG-DZGCQCFKSA-N 0 0 314.345 0.915 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)c(C)n1 ZINC000364774807 286326261 /nfs/dbraw/zinc/32/62/61/286326261.db2.gz SAIDZNDKJLQZHS-JTQLQIEISA-N 0 0 307.350 0.975 10 0 DCAERN COc1ccc2c(c1)[C@@]1(CCN(S(C)(=O)=O)C1)C(=O)N2C ZINC000065249415 286425504 /nfs/dbraw/zinc/42/55/04/286425504.db2.gz WETJURBUQLMLSB-AWEZNQCLSA-N 0 0 310.375 0.575 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177522520 286634810 /nfs/dbraw/zinc/63/48/10/286634810.db2.gz LANCWHGPOHSULR-LBPRGKRZSA-N 0 0 320.374 0.947 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCC[C@@H](O)C1 ZINC000048081401 158005668 /nfs/dbraw/zinc/00/56/68/158005668.db2.gz MFFTVLCDMGCQQO-CYBMUJFWSA-N 0 0 306.366 0.907 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C ZINC000056656682 158024278 /nfs/dbraw/zinc/02/42/78/158024278.db2.gz UQOKZVKADFKSLI-GFCCVEGCSA-N 0 0 300.380 0.744 10 0 DCAERN O=C1CCN(S(=O)(=O)N2CCc3ccccc3C2)CCN1 ZINC000061191796 158028230 /nfs/dbraw/zinc/02/82/30/158028230.db2.gz WWJUSJCFEVIHLG-UHFFFAOYSA-N 0 0 309.391 0.111 10 0 DCAERN CN1C[C@H](C(=O)N2CCN(c3ncccc3Cl)CC2)CC1=O ZINC000063781488 158031144 /nfs/dbraw/zinc/03/11/44/158031144.db2.gz LWCHCEPFBCIKHK-LLVKDONJSA-N 0 0 322.796 0.862 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000064857189 158033298 /nfs/dbraw/zinc/03/32/98/158033298.db2.gz AYDQKDLTRFINBW-SNVBAGLBSA-N 0 0 324.406 0.989 10 0 DCAERN CCCCNC(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000064248363 158033306 /nfs/dbraw/zinc/03/33/06/158033306.db2.gz LNKICKCIAMKEAY-ZDUSSCGKSA-N 0 0 321.425 0.912 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1ccccc1 ZINC000068099155 158041794 /nfs/dbraw/zinc/04/17/94/158041794.db2.gz YKOYHOSHKVYGSI-WCQYABFASA-N 0 0 303.362 0.529 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000069691269 158044805 /nfs/dbraw/zinc/04/48/05/158044805.db2.gz WPYRTBHYSNEYFT-UHFFFAOYSA-N 0 0 303.428 0.301 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000070017691 158046777 /nfs/dbraw/zinc/04/67/77/158046777.db2.gz CEJMXGBUBROIAD-ZFWWWQNUSA-N 0 0 315.435 0.929 10 0 DCAERN O=C(NN1CCOCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000072967234 158054082 /nfs/dbraw/zinc/05/40/82/158054082.db2.gz SYQHEBJRDNUMNO-OAHLLOKOSA-N 0 0 317.389 0.441 10 0 DCAERN O=C(c1ccco1)N1CCCN(C(=O)[C@H]2CSCN2)CC1 ZINC000075034860 158060613 /nfs/dbraw/zinc/06/06/13/158060613.db2.gz OLJARRRNRNMNNK-LLVKDONJSA-N 0 0 309.391 0.617 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2F)cc1 ZINC000077490201 158067848 /nfs/dbraw/zinc/06/78/48/158067848.db2.gz BBGMDYFFIGIUDI-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCC[C@@H](NC(C)=O)C2)n(C)n1 ZINC000077724947 158069049 /nfs/dbraw/zinc/06/90/49/158069049.db2.gz LBKOFVBBWKWGQQ-GFCCVEGCSA-N 0 0 321.381 0.048 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000078605305 158073935 /nfs/dbraw/zinc/07/39/35/158073935.db2.gz UJRPUHNGVGDXGQ-UPJWGTAASA-N 0 0 312.410 0.896 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(CCO)CC1 ZINC000078762216 158074116 /nfs/dbraw/zinc/07/41/16/158074116.db2.gz JAOJOAWMGKCPIK-ZDUSSCGKSA-N 0 0 320.393 0.333 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2CCCC[C@H]2C(N)=O)CC1 ZINC000079503256 158079065 /nfs/dbraw/zinc/07/90/65/158079065.db2.gz OHMLUOTXYFHNRE-AWEZNQCLSA-N 0 0 309.410 0.892 10 0 DCAERN O=C(CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)N1CCCCC1 ZINC000081477604 158084789 /nfs/dbraw/zinc/08/47/89/158084789.db2.gz QPJJROVRWWNQCB-GFCCVEGCSA-N 0 0 323.315 0.708 10 0 DCAERN Cc1noc(C)c1CC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000084210001 158088396 /nfs/dbraw/zinc/08/83/96/158088396.db2.gz DMJWHNNALYNQAC-OAHLLOKOSA-N 0 0 323.393 0.834 10 0 DCAERN Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)no1 ZINC000084216061 158089203 /nfs/dbraw/zinc/08/92/03/158089203.db2.gz FXGYEPWKAGNDHP-AWEZNQCLSA-N 0 0 309.366 0.525 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000088200102 158093236 /nfs/dbraw/zinc/09/32/36/158093236.db2.gz AEPYZUSHRSTOSZ-QWRGUYRKSA-N 0 0 320.397 0.582 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000088768716 158094324 /nfs/dbraw/zinc/09/43/24/158094324.db2.gz GGEQENWTLBTGDD-JTQLQIEISA-N 0 0 304.368 0.978 10 0 DCAERN NC(=O)CCNC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088482330 158094523 /nfs/dbraw/zinc/09/45/23/158094523.db2.gz OLIMBYAWMWNKND-SECBINFHSA-N 0 0 312.320 0.718 10 0 DCAERN C[C@@H](NC(=O)[C@H]1COCCN1)c1ccc(S(C)(=O)=O)cc1 ZINC000088371859 158094727 /nfs/dbraw/zinc/09/47/27/158094727.db2.gz XZAAZRFJSFJWQJ-ZWNOBZJWSA-N 0 0 312.391 0.256 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000088786944 158096380 /nfs/dbraw/zinc/09/63/80/158096380.db2.gz SPBMYEINCQRKJQ-SNVBAGLBSA-N 0 0 302.400 0.631 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089757651 158098377 /nfs/dbraw/zinc/09/83/77/158098377.db2.gz YMNHFKROHHNZCY-AAEUAGOBSA-N 0 0 313.361 0.993 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000090500882 158103258 /nfs/dbraw/zinc/10/32/58/158103258.db2.gz GFMSHFWQSKPCGQ-DGCLKSJQSA-N 0 0 318.377 0.351 10 0 DCAERN NCc1nc(C(=O)Nc2cccc(-n3cnnn3)c2)cs1 ZINC000090930447 158104808 /nfs/dbraw/zinc/10/48/08/158104808.db2.gz NOJTTZGPQRXZAZ-UHFFFAOYSA-N 0 0 301.335 0.830 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCNC(=O)C3CC3)cnc12 ZINC000090991826 158106259 /nfs/dbraw/zinc/10/62/59/158106259.db2.gz XZHLWRYFPPFHSY-UHFFFAOYSA-N 0 0 314.345 0.259 10 0 DCAERN CC[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(=O)OC ZINC000091068908 158106968 /nfs/dbraw/zinc/10/69/68/158106968.db2.gz IRVITOXAXPCZAL-NSHDSACASA-N 0 0 303.318 0.684 10 0 DCAERN CC(C)Oc1ccccc1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091785434 158110528 /nfs/dbraw/zinc/11/05/28/158110528.db2.gz QWYDAAUHPOTRMB-CYBMUJFWSA-N 0 0 306.362 0.729 10 0 DCAERN CN1CCN(C(=O)CC2CCN(Cc3cc[nH]n3)CC2)CC1 ZINC000093143100 158118318 /nfs/dbraw/zinc/11/83/18/158118318.db2.gz WJZMQSVCQOQBLH-UHFFFAOYSA-N 0 0 305.426 0.786 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CCO ZINC000097443451 158125548 /nfs/dbraw/zinc/12/55/48/158125548.db2.gz AHITXASZOSDUQJ-NWDGAFQWSA-N 0 0 306.428 0.325 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NN1CCOCC1 ZINC000098097044 158127706 /nfs/dbraw/zinc/12/77/06/158127706.db2.gz RZAHYBSNMWSDRD-ZDUSSCGKSA-N 0 0 323.418 0.645 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105798160 158130711 /nfs/dbraw/zinc/13/07/11/158130711.db2.gz NZRWJMSQHAZOHE-GFCCVEGCSA-N 0 0 320.397 0.223 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N1CCNC(=O)C1 ZINC000105895200 158132121 /nfs/dbraw/zinc/13/21/21/158132121.db2.gz IEKSMINDYBBYFB-CYBMUJFWSA-N 0 0 319.409 0.132 10 0 DCAERN CN1CCN(C(=O)CC2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000111241479 158140629 /nfs/dbraw/zinc/14/06/29/158140629.db2.gz UFQDGKPLTNIKKA-UHFFFAOYSA-N 0 0 305.426 0.786 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000112712357 158144279 /nfs/dbraw/zinc/14/42/79/158144279.db2.gz WNIZQVNMMIYJFJ-VIFPVBQESA-N 0 0 310.317 0.259 10 0 DCAERN O=S(=O)(Cc1cccc(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000113298565 158146764 /nfs/dbraw/zinc/14/67/64/158146764.db2.gz XQTWNMMQAOJWBN-GFCCVEGCSA-N 0 0 310.354 0.852 10 0 DCAERN CN(C)C(=O)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114515862 158154392 /nfs/dbraw/zinc/15/43/92/158154392.db2.gz ZRQSXDWGBASHJL-ZDUSSCGKSA-N 0 0 318.377 0.569 10 0 DCAERN Cc1noc(CCCC(=O)NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000114854638 158157650 /nfs/dbraw/zinc/15/76/50/158157650.db2.gz CFGLVVMEGIIOSM-ZDUSSCGKSA-N 0 0 308.382 0.680 10 0 DCAERN O=C(CCCNC(=O)C1CC1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114856019 158157707 /nfs/dbraw/zinc/15/77/07/158157707.db2.gz DQYCHRGDFZRTFA-CQSZACIVSA-N 0 0 309.410 0.272 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCNC(=O)C(C)C)CC2 ZINC000114914284 158159186 /nfs/dbraw/zinc/15/91/86/158159186.db2.gz FZFCRSMRAASMTQ-LLVKDONJSA-N 0 0 322.413 0.227 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114866542 158159294 /nfs/dbraw/zinc/15/92/94/158159294.db2.gz BVJWRXITJMOQPL-NSHDSACASA-N 0 0 307.398 0.578 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115386027 158161889 /nfs/dbraw/zinc/16/18/89/158161889.db2.gz IITFODGFUFELJG-LLVKDONJSA-N 0 0 322.390 0.820 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCOC[C@H]1CC)CC2 ZINC000115830579 158162864 /nfs/dbraw/zinc/16/28/64/158162864.db2.gz WVTBEDVYWBDHRR-NWDGAFQWSA-N 0 0 307.398 0.976 10 0 DCAERN COCCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115778844 158163210 /nfs/dbraw/zinc/16/32/10/158163210.db2.gz IONBDEKKUKALIS-UHFFFAOYSA-N 0 0 309.414 0.674 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000116559374 158166434 /nfs/dbraw/zinc/16/64/34/158166434.db2.gz SZCMAFHADXVTAM-CHWSQXEVSA-N 0 0 324.425 0.601 10 0 DCAERN CCOCCN1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H]1CC ZINC000116770676 158167318 /nfs/dbraw/zinc/16/73/18/158167318.db2.gz IMCOAQLNMNBOML-OLZOCXBDSA-N 0 0 320.455 0.379 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891554 158168592 /nfs/dbraw/zinc/16/85/92/158168592.db2.gz MGLXXLFFISMYOK-SRVKXCTJSA-N 0 0 305.444 0.303 10 0 DCAERN CCS(=O)(=O)CCN1CCCN(c2ccc(C)nn2)CC1 ZINC000118397911 158178301 /nfs/dbraw/zinc/17/83/01/158178301.db2.gz AKKPXSOZFMJPDL-UHFFFAOYSA-N 0 0 312.439 0.732 10 0 DCAERN Cn1cc(S(=O)(=O)Nc2cc(Cl)c(=O)n(C)c2)cn1 ZINC000118969400 158180737 /nfs/dbraw/zinc/18/07/37/158180737.db2.gz XBDKLSUWLYAGRG-UHFFFAOYSA-N 0 0 302.743 0.573 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCCCC2)c(C)nn1C ZINC000119264637 158184897 /nfs/dbraw/zinc/18/48/97/158184897.db2.gz HFQUDZMWCAZXLV-UHFFFAOYSA-N 0 0 302.400 0.557 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1cccnc1-n1cccn1 ZINC000119307926 158184997 /nfs/dbraw/zinc/18/49/97/158184997.db2.gz NHURPPHBFNHMEG-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCCO1 ZINC000119334052 158185107 /nfs/dbraw/zinc/18/51/07/158185107.db2.gz GKDULXRRXIWYAY-HNNXBMFYSA-N 0 0 316.365 0.342 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000119437105 158187128 /nfs/dbraw/zinc/18/71/28/158187128.db2.gz REGXJTQODOMDNS-LBPRGKRZSA-N 0 0 316.317 0.996 10 0 DCAERN COCCCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119949816 158191880 /nfs/dbraw/zinc/19/18/80/158191880.db2.gz CPZMSIVZIAZGPR-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000119980432 158192586 /nfs/dbraw/zinc/19/25/86/158192586.db2.gz IULGBMHRXAKRPR-SECBINFHSA-N 0 0 310.354 0.602 10 0 DCAERN O=C(COCC1CC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120117220 158193263 /nfs/dbraw/zinc/19/32/63/158193263.db2.gz IAENDPKGGONTOP-CYBMUJFWSA-N 0 0 316.423 0.440 10 0 DCAERN CCCOCC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000120064255 158193388 /nfs/dbraw/zinc/19/33/88/158193388.db2.gz BHDHQMCYHMJANY-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN O=C(NCCC1CC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000120907508 158205587 /nfs/dbraw/zinc/20/55/87/158205587.db2.gz HEIGNTKQHSMLOA-CYBMUJFWSA-N 0 0 315.439 0.996 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000121267684 158208917 /nfs/dbraw/zinc/20/89/17/158208917.db2.gz LTZDJKNAADFGGM-ZIAGYGMSSA-N 0 0 308.382 0.781 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000121354440 158210384 /nfs/dbraw/zinc/21/03/84/158210384.db2.gz CUXCDSOLVZLXBA-QWRGUYRKSA-N 0 0 324.406 0.085 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121769026 158214317 /nfs/dbraw/zinc/21/43/17/158214317.db2.gz JVRQSLZVRVUFPV-JTQLQIEISA-N 0 0 301.416 0.852 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121695990 158214530 /nfs/dbraw/zinc/21/45/30/158214530.db2.gz UPTJZFMYYCQAMY-SNVBAGLBSA-N 0 0 317.415 0.088 10 0 DCAERN C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000121884811 158216534 /nfs/dbraw/zinc/21/65/34/158216534.db2.gz OYEYEDPEFXCKOO-SNVBAGLBSA-N 0 0 313.423 0.899 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](n2cncn2)C1 ZINC000121955936 158217301 /nfs/dbraw/zinc/21/73/01/158217301.db2.gz BTHXMRYNRBAKPS-CHWSQXEVSA-N 0 0 315.381 0.905 10 0 DCAERN O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCc2ncnn2C1 ZINC000122294239 158219391 /nfs/dbraw/zinc/21/93/91/158219391.db2.gz JPRYAZZPRYXBAA-LLVKDONJSA-N 0 0 316.365 0.992 10 0 DCAERN O=C(Nc1nc[nH]n1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000122536777 158221951 /nfs/dbraw/zinc/22/19/51/158221951.db2.gz KBWCGWZCWUKUGS-JTQLQIEISA-N 0 0 301.306 0.754 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000122625791 158222720 /nfs/dbraw/zinc/22/27/20/158222720.db2.gz RZZHIFIZGLFLBM-MRVPVSSYSA-N 0 0 318.358 0.999 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC(CO)C1 ZINC000122807149 158224356 /nfs/dbraw/zinc/22/43/56/158224356.db2.gz POAKCIJZIHGWRP-MRXNPFEDSA-N 0 0 302.374 0.973 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000123643768 158232676 /nfs/dbraw/zinc/23/26/76/158232676.db2.gz XCTHAGTWMKOOBS-LBPRGKRZSA-N 0 0 318.381 0.067 10 0 DCAERN O=C(C[C@H]1COC(=O)C1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000123947212 158235399 /nfs/dbraw/zinc/23/53/99/158235399.db2.gz GNBUMJFCYFGZCO-ZIAGYGMSSA-N 0 0 310.394 0.653 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CCNC(=O)CC1)CO2 ZINC000124644442 158245179 /nfs/dbraw/zinc/24/51/79/158245179.db2.gz RFFYULXXUUNDRA-GFCCVEGCSA-N 0 0 304.346 0.595 10 0 DCAERN COCC(=O)N[C@H](C(=O)NCCc1c(C)nn(C)c1C)C(C)C ZINC000124935226 158249340 /nfs/dbraw/zinc/24/93/40/158249340.db2.gz PPPMVYKUKDVYKT-HNNXBMFYSA-N 0 0 324.425 0.483 10 0 DCAERN Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[nH]1 ZINC000125739948 158259342 /nfs/dbraw/zinc/25/93/42/158259342.db2.gz QEOXPSKWJCYWLF-GFCCVEGCSA-N 0 0 301.350 0.900 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)NCCS(N)(=O)=O)n1 ZINC000126670890 158267429 /nfs/dbraw/zinc/26/74/29/158267429.db2.gz ZKHSOLGNMLEXRV-UHFFFAOYSA-N 0 0 323.378 0.591 10 0 DCAERN O=C(NOCc1cccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000126843854 158269144 /nfs/dbraw/zinc/26/91/44/158269144.db2.gz CZPGKPUILMYGPG-AWEZNQCLSA-N 0 0 306.366 0.629 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCO[C@H]1CCOC1 ZINC000127350614 158272894 /nfs/dbraw/zinc/27/28/94/158272894.db2.gz DCTMJJRQOVITHP-STQMWFEESA-N 0 0 323.397 0.916 10 0 DCAERN O=C(CNC(=O)c1cccs1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127540470 158274602 /nfs/dbraw/zinc/27/46/02/158274602.db2.gz CJCDLKGXXGNUPZ-GFCCVEGCSA-N 0 0 323.418 0.457 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(C(N)=O)s1 ZINC000128342421 158279721 /nfs/dbraw/zinc/27/97/21/158279721.db2.gz MZQWJJGRAOLVHP-QMMMGPOBSA-N 0 0 310.379 0.828 10 0 DCAERN CCc1cc(C)c(C(=O)NC[C@](C)(O)CN2CCOCC2)o1 ZINC000130452589 158294634 /nfs/dbraw/zinc/29/46/34/158294634.db2.gz OWYIACSQWHGYKV-INIZCTEOSA-N 0 0 310.394 0.963 10 0 DCAERN C[C@H](CO)CS(=O)(=O)Cc1cnn(C)c1C(F)(F)F ZINC000131119833 158298255 /nfs/dbraw/zinc/29/82/55/158298255.db2.gz OILYUIVAIYAPFV-SSDOTTSWSA-N 0 0 300.302 0.982 10 0 DCAERN CC(C)[C@H](CNc1cncc(OCCO)n1)N1CCOCC1 ZINC000133073215 158316197 /nfs/dbraw/zinc/31/61/97/158316197.db2.gz SJTBDKCBLKIVMH-ZDUSSCGKSA-N 0 0 310.398 0.616 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000133649615 158320645 /nfs/dbraw/zinc/32/06/45/158320645.db2.gz FDOXFEFCTFSGPO-AWEZNQCLSA-N 0 0 323.368 0.451 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCNC(=O)CC2)cccc1N(C)C ZINC000133824654 158321518 /nfs/dbraw/zinc/32/15/18/158321518.db2.gz PDPJFAVXKVPRCT-UHFFFAOYSA-N 0 0 318.377 0.348 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000134020796 158322742 /nfs/dbraw/zinc/32/27/42/158322742.db2.gz PMYMFWSEPFIHIJ-QWHCGFSZSA-N 0 0 303.362 0.111 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000133968237 158323157 /nfs/dbraw/zinc/32/31/57/158323157.db2.gz YXDYOHVEEUIJCG-JTQLQIEISA-N 0 0 308.386 0.672 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000134011591 158323432 /nfs/dbraw/zinc/32/34/32/158323432.db2.gz SJYZIGUCEQUVMA-KBPBESRZSA-N 0 0 320.389 0.723 10 0 DCAERN C[C@@H](NC(=O)CN1CSCC1=O)c1nnc2n1CCCC2 ZINC000135276211 158335029 /nfs/dbraw/zinc/33/50/29/158335029.db2.gz WQHIZUKMPWTKTJ-SECBINFHSA-N 0 0 309.395 0.325 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135259165 158335216 /nfs/dbraw/zinc/33/52/16/158335216.db2.gz YLRIWXXIUJQBEP-OCCSQVGLSA-N 0 0 304.346 0.818 10 0 DCAERN COCCCNC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136126309 158341671 /nfs/dbraw/zinc/34/16/71/158341671.db2.gz AEKUWROZXUMBEA-CYBMUJFWSA-N 0 0 321.425 0.945 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cccc(-c2cnco2)c1 ZINC000137043048 158344086 /nfs/dbraw/zinc/34/40/86/158344086.db2.gz CXTXYVYLJXTZOG-JTQLQIEISA-N 0 0 300.274 0.878 10 0 DCAERN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCc2n[nH]nc2C1 ZINC000170240223 158373437 /nfs/dbraw/zinc/37/34/37/158373437.db2.gz NPVBOXCXVZQIAV-JTQLQIEISA-N 0 0 300.318 0.955 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1CCCC1=O ZINC000170316008 158374625 /nfs/dbraw/zinc/37/46/25/158374625.db2.gz DGACBNKRKLCOQL-OLZOCXBDSA-N 0 0 309.410 0.810 10 0 DCAERN COc1cccc(CNC(=O)N[C@H]2CCc3nc(C)nn3C2)n1 ZINC000171057846 158379636 /nfs/dbraw/zinc/37/96/36/158379636.db2.gz WNMJJVBYSKASKZ-LBPRGKRZSA-N 0 0 316.365 0.804 10 0 DCAERN CC[C@@H](C(=O)OC)N1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171627905 158384726 /nfs/dbraw/zinc/38/47/26/158384726.db2.gz CGRDITDYHKJQDD-LBPRGKRZSA-N 0 0 318.381 0.506 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCNC(=O)[C@@H]2C)n1 ZINC000171730145 158386674 /nfs/dbraw/zinc/38/66/74/158386674.db2.gz LBHZGVRABBHIAC-JTQLQIEISA-N 0 0 309.370 0.656 10 0 DCAERN C[S@](=O)c1nncn1CC(=O)Nc1cc(F)cc(F)c1 ZINC000171983168 158389629 /nfs/dbraw/zinc/38/96/29/158389629.db2.gz NUWGCKISKWZDAG-FQEVSTJZSA-N 0 0 300.290 0.932 10 0 DCAERN COCc1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000172103342 158390328 /nfs/dbraw/zinc/39/03/28/158390328.db2.gz DOMZBNCRNLVVDP-GFCCVEGCSA-N 0 0 322.390 0.718 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C)CS(C)(=O)=O ZINC000172165727 158391321 /nfs/dbraw/zinc/39/13/21/158391321.db2.gz XFONKIVCZOPHCT-LLVKDONJSA-N 0 0 312.391 0.274 10 0 DCAERN CC(=O)NC[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239116 158391842 /nfs/dbraw/zinc/39/18/42/158391842.db2.gz HNSHIYDMMHIORF-SJORKVTESA-N 0 0 322.405 0.401 10 0 DCAERN CC(=O)NC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCO1 ZINC000172239112 158392470 /nfs/dbraw/zinc/39/24/70/158392470.db2.gz HNSHIYDMMHIORF-IAGOWNOFSA-N 0 0 322.405 0.401 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCCOC1)CC2 ZINC000172313233 158392660 /nfs/dbraw/zinc/39/26/60/158392660.db2.gz ZALXQAKGPQDRMP-NWDGAFQWSA-N 0 0 307.398 0.881 10 0 DCAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2cccs2)c1 ZINC000172274537 158393299 /nfs/dbraw/zinc/39/32/99/158393299.db2.gz LHSLVBNGABEULS-UHFFFAOYSA-N 0 0 321.406 0.982 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@@H]1Cc2ccccc2O1 ZINC000172354114 158394195 /nfs/dbraw/zinc/39/41/95/158394195.db2.gz OHRKPPYYSWTHMD-HOCLYGCPSA-N 0 0 302.374 0.970 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCC(=O)Nc1ccccc1 ZINC000172519064 158394603 /nfs/dbraw/zinc/39/46/03/158394603.db2.gz IKVILQKPYJWKBH-UHFFFAOYSA-N 0 0 312.329 0.566 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)c2ccccn2)cn1 ZINC000172500630 158395100 /nfs/dbraw/zinc/39/51/00/158395100.db2.gz BNDRNTRKYVCRPS-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN COc1ncccc1CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172539119 158395555 /nfs/dbraw/zinc/39/55/55/158395555.db2.gz FINAYIDELUEMRT-PWSUYJOCSA-N 0 0 306.366 0.934 10 0 DCAERN C[C@H](C(=O)NC(N)=O)N1CCN(c2ncccc2Cl)CC1 ZINC000172561452 158395586 /nfs/dbraw/zinc/39/55/86/158395586.db2.gz HHJQCQAJYLDPJI-SECBINFHSA-N 0 0 311.773 0.440 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000172559648 158395893 /nfs/dbraw/zinc/39/58/93/158395893.db2.gz DXLPLGSJPBAFIS-GFCCVEGCSA-N 0 0 316.317 0.970 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000172601744 158396855 /nfs/dbraw/zinc/39/68/55/158396855.db2.gz VSUWVJRGTZTJOM-LBPRGKRZSA-N 0 0 304.354 0.478 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000172650109 158397773 /nfs/dbraw/zinc/39/77/73/158397773.db2.gz LUQUVPLAFLWHSL-JOYOIKCWSA-N 0 0 307.325 0.925 10 0 DCAERN O=C(CCOC[C@H]1CCCO1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753574 158398728 /nfs/dbraw/zinc/39/87/28/158398728.db2.gz BXTJLGQVCJBOPD-HUUCEWRRSA-N 0 0 312.410 0.505 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCCS(C)(=O)=O ZINC000173452998 158406412 /nfs/dbraw/zinc/40/64/12/158406412.db2.gz NGXBIAXOYNZCRZ-SNVBAGLBSA-N 0 0 315.439 0.909 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N(C)CC(C)(C)O)CC2)n1 ZINC000176462631 158437859 /nfs/dbraw/zinc/43/78/59/158437859.db2.gz WUKRHLGJUDBNGK-UHFFFAOYSA-N 0 0 322.409 0.931 10 0 DCAERN COC[C@H]1CN(C(=O)CNC(=O)c2ccccc2C)CCO1 ZINC000176628902 158438817 /nfs/dbraw/zinc/43/88/17/158438817.db2.gz ZLJGGWFGFDZQCF-CYBMUJFWSA-N 0 0 306.362 0.599 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)CC2 ZINC000176675626 158439883 /nfs/dbraw/zinc/43/98/83/158439883.db2.gz BOTHPWKQUOQRQR-SNVBAGLBSA-N 0 0 316.365 0.573 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000176763495 158441109 /nfs/dbraw/zinc/44/11/09/158441109.db2.gz KETHZLORGZEBTQ-GFCCVEGCSA-N 0 0 305.338 0.990 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@@H](C)COC)CC2 ZINC000176898772 158442937 /nfs/dbraw/zinc/44/29/37/158442937.db2.gz VWEIEYFTNVZFDX-QWRGUYRKSA-N 0 0 311.386 0.416 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000179563176 158474624 /nfs/dbraw/zinc/47/46/24/158474624.db2.gz GTIQKVRNEVGPMB-ZJUUUORDSA-N 0 0 304.412 0.360 10 0 DCAERN CC[C@@H](CO)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000180898263 158481305 /nfs/dbraw/zinc/48/13/05/158481305.db2.gz DPTHQKNZTDXSMH-NWDGAFQWSA-N 0 0 300.424 0.965 10 0 DCAERN COCc1ccsc1C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000181202412 158484022 /nfs/dbraw/zinc/48/40/22/158484022.db2.gz SOKWRUQCTYSKMS-SNVBAGLBSA-N 0 0 308.359 0.914 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)CC1CCCCC1 ZINC000182835411 158494187 /nfs/dbraw/zinc/49/41/87/158494187.db2.gz LTUCFCXJBACCAL-MRXNPFEDSA-N 0 0 314.426 0.977 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H](O)Cc1ccccc1 ZINC000183555522 158499684 /nfs/dbraw/zinc/49/96/84/158499684.db2.gz SDDOPRSBMRNXTP-AWEZNQCLSA-N 0 0 303.366 0.571 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184070623 158505672 /nfs/dbraw/zinc/50/56/72/158505672.db2.gz WNLCLUHMELCNAX-UWVGGRQHSA-N 0 0 308.359 0.732 10 0 DCAERN CNC(=O)CC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000184875070 158512012 /nfs/dbraw/zinc/51/20/12/158512012.db2.gz BKAKHMLHRHAHBW-GFCCVEGCSA-N 0 0 305.378 0.774 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000185592096 158522380 /nfs/dbraw/zinc/52/23/80/158522380.db2.gz VSSLAKPIUQBSFZ-GFCCVEGCSA-N 0 0 320.455 0.860 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000185916089 158524757 /nfs/dbraw/zinc/52/47/57/158524757.db2.gz HRPSLOQNIPFHGJ-VIFPVBQESA-N 0 0 312.395 0.749 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187238811 158536977 /nfs/dbraw/zinc/53/69/77/158536977.db2.gz BSQOWVSEQQHBNF-IUCAKERBSA-N 0 0 317.349 0.351 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCN(C)c1ccccc1 ZINC000188491686 158544907 /nfs/dbraw/zinc/54/49/07/158544907.db2.gz IEPSUVHXZLCCAT-HUUCEWRRSA-N 0 0 305.378 0.221 10 0 DCAERN COCCN1CCCN(C(=O)C[C@@H](O)c2ccccc2)CC1=O ZINC000189308621 158551622 /nfs/dbraw/zinc/55/16/22/158551622.db2.gz FZSLKRCTMKVVIH-OAHLLOKOSA-N 0 0 320.389 0.817 10 0 DCAERN CCN1CN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1=O ZINC000190512639 158560561 /nfs/dbraw/zinc/56/05/61/158560561.db2.gz SLZOOLKBQIUGHR-UHFFFAOYSA-N 0 0 311.288 0.343 10 0 DCAERN COCCN1CCCN(C(=O)c2c[nH]nc2C2CC2)CC1=O ZINC000191094003 158565906 /nfs/dbraw/zinc/56/59/06/158565906.db2.gz DMNACZKMPBMQHQ-UHFFFAOYSA-N 0 0 306.366 0.608 10 0 DCAERN COCCN1CCCN(C(=O)CCCOC(C)C)CC1=O ZINC000191272857 158567364 /nfs/dbraw/zinc/56/73/64/158567364.db2.gz NNVOFVMMIFODBQ-UHFFFAOYSA-N 0 0 300.399 0.899 10 0 DCAERN CCN1CN(CC(=O)N(C)Cc2ccc(OC)cc2)CC1=O ZINC000191549890 158568888 /nfs/dbraw/zinc/56/88/88/158568888.db2.gz BWJCSUPLCBYJOR-UHFFFAOYSA-N 0 0 305.378 0.775 10 0 DCAERN CN1CCCN(C(=O)NCc2nnc3ccccn32)CC1=O ZINC000191919124 158572490 /nfs/dbraw/zinc/57/24/90/158572490.db2.gz KRPRTFXVDZUBQV-UHFFFAOYSA-N 0 0 302.338 0.103 10 0 DCAERN CCCn1c(=O)[nH]nc1SC[C@@H](O)CO[C@H](C)COC ZINC000233378988 158628805 /nfs/dbraw/zinc/62/88/05/158628805.db2.gz GUYAKQAZVBRZSL-ZJUUUORDSA-N 0 0 305.400 0.486 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)OC[C@H]1C ZINC000249704301 158709387 /nfs/dbraw/zinc/70/93/87/158709387.db2.gz LORAGNBZWFTKJC-FRRDWIJNSA-N 0 0 318.439 0.826 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000276449343 158935444 /nfs/dbraw/zinc/93/54/44/158935444.db2.gz MIFQCTMOYNXWPI-LSDHHAIUSA-N 0 0 303.362 0.896 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000285063599 158963530 /nfs/dbraw/zinc/96/35/30/158963530.db2.gz OGBXMJNZEAUAIE-UONOGXRCSA-N 0 0 311.403 0.946 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328651515 159017311 /nfs/dbraw/zinc/01/73/11/159017311.db2.gz JWIWNNYTBKBBCO-WDEREUQCSA-N 0 0 302.396 0.779 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCN[C@@H](c2cccnc2)C1 ZINC000328662406 159018388 /nfs/dbraw/zinc/01/83/88/159018388.db2.gz XINHQMOCGUZEGG-DZGCQCFKSA-N 0 0 305.378 0.608 10 0 DCAERN CCn1c(C)nnc1CN1CCN(Cc2nccn2C)CC1 ZINC000328685506 159021529 /nfs/dbraw/zinc/02/15/29/159021529.db2.gz XLYYVULBPMYNDP-UHFFFAOYSA-N 0 0 303.414 0.658 10 0 DCAERN c1cn(C2CN(c3cc(N4CCSCC4)ncn3)C2)nn1 ZINC000328718201 159024286 /nfs/dbraw/zinc/02/42/86/159024286.db2.gz UXUXPHSTDWZXCL-UHFFFAOYSA-N 0 0 303.395 0.683 10 0 DCAERN C[C@H](CC(=O)N1CCn2cnnc2[C@H]1C)N1CCCCC1=O ZINC000328744532 159025479 /nfs/dbraw/zinc/02/54/79/159025479.db2.gz OAWYWIBUIHUBRY-VXGBXAGGSA-N 0 0 305.382 0.972 10 0 DCAERN C[C@@H](CC(=O)N1CCN2CCOC[C@@H]2C1)N1CCCCC1=O ZINC000328753553 159026608 /nfs/dbraw/zinc/02/66/08/159026608.db2.gz NUNIXIDTNJVCAV-KBPBESRZSA-N 0 0 309.410 0.321 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000328761600 159027336 /nfs/dbraw/zinc/02/73/36/159027336.db2.gz YCUPTSZQRAEOIX-OAHLLOKOSA-N 0 0 311.403 0.741 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)c3ccnnc3)C2)n1 ZINC000328778305 159028744 /nfs/dbraw/zinc/02/87/44/159028744.db2.gz TWXSRGJPQLVIJG-LLVKDONJSA-N 0 0 302.338 0.945 10 0 DCAERN CC[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)N1CCCC1=O ZINC000328874487 159037354 /nfs/dbraw/zinc/03/73/54/159037354.db2.gz JLISTNGKJJABKS-RDBSUJKOSA-N 0 0 309.410 0.319 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328891286 159037592 /nfs/dbraw/zinc/03/75/92/159037592.db2.gz SFXFCUFORNGGPJ-ZIAGYGMSSA-N 0 0 317.455 0.368 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328902330 159038635 /nfs/dbraw/zinc/03/86/35/159038635.db2.gz GMIFDRURNZNTRI-HZPDHXFCSA-N 0 0 320.437 0.901 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328903372 159039284 /nfs/dbraw/zinc/03/92/84/159039284.db2.gz HUQUFXKFMJYFNE-KKUMJFAQSA-N 0 0 309.410 0.176 10 0 DCAERN CCc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc(=O)[nH]1 ZINC000328905140 159040071 /nfs/dbraw/zinc/04/00/71/159040071.db2.gz JWDKSDLEOOKJLN-UONOGXRCSA-N 0 0 305.378 0.895 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000328916646 159040796 /nfs/dbraw/zinc/04/07/96/159040796.db2.gz AOCMVQZAEWFXPB-FRRDWIJNSA-N 0 0 302.440 0.752 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCC[C@@H](n2cccn2)C1 ZINC000328926111 159042628 /nfs/dbraw/zinc/04/26/28/159042628.db2.gz FCXFKQDSWCBLFM-NWDGAFQWSA-N 0 0 300.366 0.970 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C[C@H]21 ZINC000328945777 159045236 /nfs/dbraw/zinc/04/52/36/159045236.db2.gz JTQLROVUVVOPIA-IACUBPJLSA-N 0 0 320.393 0.459 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000329028693 159053664 /nfs/dbraw/zinc/05/36/64/159053664.db2.gz KNDHRMJDHJLJDP-QWRGUYRKSA-N 0 0 311.407 0.131 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CCN(C3CC3)CC2)C1=O ZINC000329041052 159054521 /nfs/dbraw/zinc/05/45/21/159054521.db2.gz OISPWXAPTWHRJH-UHFFFAOYSA-N 0 0 322.409 0.608 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(CC(=O)N3CCCCC3)CCO2)n1 ZINC000329143035 159066440 /nfs/dbraw/zinc/06/64/40/159066440.db2.gz LTOKWMPHDMELIJ-OAHLLOKOSA-N 0 0 321.425 0.608 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C[C@@H](O)Cn1cccn1 ZINC000329150768 159067503 /nfs/dbraw/zinc/06/75/03/159067503.db2.gz RWEKUFXJOATJGM-CABCVRRESA-N 0 0 319.409 0.668 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NCc1ccnc2ccnn21 ZINC000329229089 159075030 /nfs/dbraw/zinc/07/50/30/159075030.db2.gz CISBXVNLPXKEPK-NSHDSACASA-N 0 0 309.395 0.938 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000329265956 159077423 /nfs/dbraw/zinc/07/74/23/159077423.db2.gz CPAGWXXVILUKKF-LLVKDONJSA-N 0 0 311.342 0.838 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)[C@H](C)N(C)C3=O)C2=O)n(C)n1 ZINC000329276112 159078354 /nfs/dbraw/zinc/07/83/54/159078354.db2.gz IWXZJWBRBLVWIM-WDEREUQCSA-N 0 0 319.365 0.506 10 0 DCAERN O=S1(=O)CCCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000329396248 159089066 /nfs/dbraw/zinc/08/90/66/159089066.db2.gz XJRAEIZQZAABSY-UHFFFAOYSA-N 0 0 321.406 0.325 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000329429744 159091750 /nfs/dbraw/zinc/09/17/50/159091750.db2.gz KAJCNIJNZIFNIO-XJKSGUPXSA-N 0 0 323.437 0.709 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329445703 159093384 /nfs/dbraw/zinc/09/33/84/159093384.db2.gz CKZAVQFIIISVMK-LJISPDSOSA-N 0 0 324.421 0.897 10 0 DCAERN CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2nccn2C)cn1 ZINC000329470742 159095497 /nfs/dbraw/zinc/09/54/97/159095497.db2.gz YKFWGIZDWUIARJ-ZDUSSCGKSA-N 0 0 323.422 0.608 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCCN(C(=O)C2CC2)CC1 ZINC000329503233 159097980 /nfs/dbraw/zinc/09/79/80/159097980.db2.gz KVHSYCRYLGTCSH-UHFFFAOYSA-N 0 0 313.361 0.814 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)nn1 ZINC000329581164 159104581 /nfs/dbraw/zinc/10/45/81/159104581.db2.gz VBWOSNDVHJQGRP-CDGCEXEKSA-N 0 0 308.382 0.983 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)COC[C@H]3CCOC3)CCO2)[nH]1 ZINC000329730007 159114825 /nfs/dbraw/zinc/11/48/25/159114825.db2.gz HUPPBSBSCPIGDI-RYUDHWBXSA-N 0 0 324.381 0.320 10 0 DCAERN CC[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1N1CCOCC1 ZINC000329746659 159116500 /nfs/dbraw/zinc/11/65/00/159116500.db2.gz RYLFPCVQBLGIRA-STQMWFEESA-N 0 0 307.398 0.306 10 0 DCAERN O=C1CCCCCN1Cc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329739741 159116595 /nfs/dbraw/zinc/11/65/95/159116595.db2.gz VAPCTOSDYNYPNP-LBPRGKRZSA-N 0 0 305.382 0.645 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000329753684 159117222 /nfs/dbraw/zinc/11/72/22/159117222.db2.gz WWHBCMMPPPVLGO-XJKSGUPXSA-N 0 0 309.410 0.036 10 0 DCAERN CO[C@H]1C[C@H](c2nc(-c3ccncc3)no2)N(S(C)(=O)=O)C1 ZINC000329765564 159118307 /nfs/dbraw/zinc/11/83/07/159118307.db2.gz XCTOUELWUORVPY-WDEREUQCSA-N 0 0 324.362 0.853 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@H](C3CC3)C2)c(=O)c1 ZINC000329880856 159125873 /nfs/dbraw/zinc/12/58/73/159125873.db2.gz NXFNZNZRQLHLKA-YOEHRIQHSA-N 0 0 320.389 0.545 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c1=O ZINC000329916988 159128703 /nfs/dbraw/zinc/12/87/03/159128703.db2.gz ZDBPNQTXNHPUFG-NSHDSACASA-N 0 0 316.317 0.174 10 0 DCAERN O=C(CN1C(=O)CCc2ccccc21)N1CC(O)(C2CC2)C1 ZINC000330095468 159141878 /nfs/dbraw/zinc/14/18/78/159141878.db2.gz VNJYZOJBWCPTRC-UHFFFAOYSA-N 0 0 300.358 0.949 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000330135911 159144742 /nfs/dbraw/zinc/14/47/42/159144742.db2.gz HJHPCLCNSWCUNY-NSHDSACASA-N 0 0 309.351 0.052 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCO[C@H](C2CC2)C1 ZINC000330144038 159145927 /nfs/dbraw/zinc/14/59/27/159145927.db2.gz RLZPWKOENAOECR-MJBXVCDLSA-N 0 0 320.389 0.799 10 0 DCAERN CC(C)N1CC[C@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)C1=O ZINC000330300368 159157577 /nfs/dbraw/zinc/15/75/77/159157577.db2.gz NCXRKILBFRYYSV-WDEREUQCSA-N 0 0 305.338 0.227 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000330316713 159159141 /nfs/dbraw/zinc/15/91/41/159159141.db2.gz ZOJKLOFQKLSTRS-HBNTYKKESA-N 0 0 317.367 0.259 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC[C@@H](OC)C2)cn1 ZINC000330317845 159159933 /nfs/dbraw/zinc/15/99/33/159159933.db2.gz BYHNBSPAMHILFA-QLFBSQMISA-N 0 0 323.393 0.854 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCNC(=O)C(C)(C)C ZINC000330414260 159170209 /nfs/dbraw/zinc/17/02/09/159170209.db2.gz WEJFTBAPHAKUIO-JTQLQIEISA-N 0 0 301.412 0.186 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)NCc2cn(C)nc2C(F)(F)F)N(C)C1 ZINC000330554549 159192785 /nfs/dbraw/zinc/19/27/85/159192785.db2.gz GGQHVVYUDPJXCA-UWVGGRQHSA-N 0 0 320.315 0.774 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000330609318 159201766 /nfs/dbraw/zinc/20/17/66/159201766.db2.gz NTJSURPMTVERNE-MJBXVCDLSA-N 0 0 314.426 0.519 10 0 DCAERN C[S@@](=O)C1(CNC(=O)C[C@@H]2CCCCC(=O)N2)CCC1 ZINC000332708433 159210820 /nfs/dbraw/zinc/21/08/20/159210820.db2.gz XUNNBHSKULQEKB-PRWKNARSSA-N 0 0 300.424 0.853 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)COC[C@H]2CCOC2)C1 ZINC000332928540 159217486 /nfs/dbraw/zinc/21/74/86/159217486.db2.gz OBPIKTJASOCXSW-UONOGXRCSA-N 0 0 322.409 0.558 10 0 DCAERN C[C@@H](NC(=O)CN1CCO[C@@H](C2CC2)C1)C(=O)N1CCCCC1 ZINC000332971577 159217787 /nfs/dbraw/zinc/21/77/87/159217787.db2.gz YZWURPPRCDQDFP-UKRRQHHQSA-N 0 0 323.437 0.614 10 0 DCAERN Cn1c(=O)oc2c1cccc2NC(=O)N1CC(n2ccnn2)C1 ZINC000358476048 159255318 /nfs/dbraw/zinc/25/53/18/159255318.db2.gz IVKQOLPJEFMGIS-UHFFFAOYSA-N 0 0 314.305 0.812 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCSC[C@H]2C)n1 ZINC000359250838 159256127 /nfs/dbraw/zinc/25/61/27/159256127.db2.gz WTBPEEHHGKZJKC-LLVKDONJSA-N 0 0 323.418 0.713 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000365484937 159278571 /nfs/dbraw/zinc/27/85/71/159278571.db2.gz NBXVLJHZVICGSC-JHJVBQTASA-N 0 0 318.439 0.588 10 0 DCAERN CO[C@@H](C(=O)N1CCC(c2nnc(C)[nH]2)CC1)c1cnn(C)c1 ZINC000366961059 159300769 /nfs/dbraw/zinc/30/07/69/159300769.db2.gz UMUXIWCLZUMNNL-CYBMUJFWSA-N 0 0 318.381 0.940 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000366960891 159300849 /nfs/dbraw/zinc/30/08/49/159300849.db2.gz TZRRRPBCKIZQOV-QWHCGFSZSA-N 0 0 304.394 0.383 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c2cc(F)ccc21 ZINC000367004459 159303814 /nfs/dbraw/zinc/30/38/14/159303814.db2.gz TZTJGXLFXMVXMQ-INIZCTEOSA-N 0 0 319.336 0.770 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)C1SCCS1 ZINC000367070072 159310946 /nfs/dbraw/zinc/31/09/46/159310946.db2.gz CIVXECJWNPXTGN-JTQLQIEISA-N 0 0 316.448 0.689 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN[C@H](c3ccncc3)C2)C1 ZINC000367083968 159312664 /nfs/dbraw/zinc/31/26/64/159312664.db2.gz KCMUQPZIXIHBOV-HIFRSBDPSA-N 0 0 316.405 0.813 10 0 DCAERN CCn1ncnc1CN1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367139004 159316140 /nfs/dbraw/zinc/31/61/40/159316140.db2.gz UQXAXLWEMNFSCZ-NSHDSACASA-N 0 0 301.416 0.154 10 0 DCAERN COC(=O)C1(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367247487 159325065 /nfs/dbraw/zinc/32/50/65/159325065.db2.gz VZWFNQBNPIHTRV-RYUDHWBXSA-N 0 0 311.378 0.624 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC(c3ccnn3CCO)CC2)CC1=O ZINC000367637690 159348202 /nfs/dbraw/zinc/34/82/02/159348202.db2.gz YVPDZRCQUBLDEN-ZDUSSCGKSA-N 0 0 320.393 0.060 10 0 DCAERN CCOC1CC(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000367788027 159356003 /nfs/dbraw/zinc/35/60/03/159356003.db2.gz VDJMGTJRMVNHSK-UBHUBRDASA-N 0 0 310.394 0.698 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCc1ccc(F)cc1 ZINC000368330989 159387823 /nfs/dbraw/zinc/38/78/23/159387823.db2.gz YWXDEWGYCJGMPV-OAHLLOKOSA-N 0 0 307.369 0.458 10 0 DCAERN CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000368392432 159392320 /nfs/dbraw/zinc/39/23/20/159392320.db2.gz IKCAMNPRQFKYKV-ZIAGYGMSSA-N 0 0 320.455 0.130 10 0 DCAERN Cn1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c2cc(F)ccc21 ZINC000369857445 159482208 /nfs/dbraw/zinc/48/22/08/159482208.db2.gz RQEIDCJLNPNILH-CYBMUJFWSA-N 0 0 305.309 0.644 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)CN2CCC(C)CC2)n1 ZINC000372447350 159624622 /nfs/dbraw/zinc/62/46/22/159624622.db2.gz QQJUIYZKCAGIJI-CHWSQXEVSA-N 0 0 308.382 0.744 10 0 DCAERN CCC[C@@H](C)N1C[C@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000374804079 159753125 /nfs/dbraw/zinc/75/31/25/159753125.db2.gz YGSFWKIHLDNNFF-VXGBXAGGSA-N 0 0 305.382 0.699 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CCN2CCOC[C@H]2C1 ZINC000375212992 159777009 /nfs/dbraw/zinc/77/70/09/159777009.db2.gz ZLLQOQHNIRAJGR-LLVKDONJSA-N 0 0 300.355 0.531 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376412776 159855746 /nfs/dbraw/zinc/85/57/46/159855746.db2.gz SSCYQGMWJIDXCM-RYUDHWBXSA-N 0 0 323.393 0.925 10 0 DCAERN O=C(NC1CC(O)(Cc2cccc(F)c2)C1)[C@@H]1CNC(=O)C1 ZINC000376898063 159883096 /nfs/dbraw/zinc/88/30/96/159883096.db2.gz UWJQTLJWQOPCCV-XOMBGVMMSA-N 0 0 306.337 0.514 10 0 DCAERN Cn1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)c2cc(F)ccc21 ZINC000377134726 159900321 /nfs/dbraw/zinc/90/03/21/159900321.db2.gz TWBWVVSTSYDVHW-OAHLLOKOSA-N 0 0 305.309 0.380 10 0 DCAERN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)CC1 ZINC000407957597 159996627 /nfs/dbraw/zinc/99/66/27/159996627.db2.gz ZJHJJROPOQBTLQ-NSHDSACASA-N 0 0 302.440 0.764 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000407960491 159997120 /nfs/dbraw/zinc/99/71/20/159997120.db2.gz YFTBTGHSCHLQJW-UHFFFAOYSA-N 0 0 312.395 0.459 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC(=O)NC1 ZINC000407960462 159997261 /nfs/dbraw/zinc/99/72/61/159997261.db2.gz WDOINYABRJYRGJ-NEPJUHHUSA-N 0 0 308.300 0.819 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC(=O)N1 ZINC000407961284 159997880 /nfs/dbraw/zinc/99/78/80/159997880.db2.gz CNFBLUQYSDODRZ-KZTGVZKYSA-N 0 0 310.394 0.949 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)c(C)s1 ZINC000407965496 159998458 /nfs/dbraw/zinc/99/84/58/159998458.db2.gz MVUHPEQTLDUWJE-VIFPVBQESA-N 0 0 303.409 0.653 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000407971974 159999721 /nfs/dbraw/zinc/99/97/21/159999721.db2.gz KJQXEEXMBNAIPG-GFCCVEGCSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H](NC(=O)N1CC(=O)N(C)[C@H](C)C1)C(=O)N1CCCC[C@@H]1C ZINC000407972061 160000028 /nfs/dbraw/zinc/00/00/28/160000028.db2.gz RVQKPXRWVGPEJA-XQQFMLRXSA-N 0 0 324.425 0.648 10 0 DCAERN C[C@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)n1nnnc1C(C)(C)C ZINC000407972647 160000275 /nfs/dbraw/zinc/00/02/75/160000275.db2.gz VFQHPGTXTCHYKA-NXEZZACHSA-N 0 0 308.386 0.221 10 0 DCAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000407992150 160005183 /nfs/dbraw/zinc/00/51/83/160005183.db2.gz ZSQQQYYWVVOFKN-RYUDHWBXSA-N 0 0 309.410 0.666 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000407995732 160006367 /nfs/dbraw/zinc/00/63/67/160006367.db2.gz JJQTVJLIPJRQJP-MNOVXSKESA-N 0 0 315.395 0.633 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(F)(F)F)[C@H](C)CO1 ZINC000408002763 160007819 /nfs/dbraw/zinc/00/78/19/160007819.db2.gz HJTPWIIDDMONQS-HLTSFMKQSA-N 0 0 320.333 0.243 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N1CCCCC1 ZINC000408006779 160008641 /nfs/dbraw/zinc/00/86/41/160008641.db2.gz BBKNCJNTCDDISV-UHFFFAOYSA-N 0 0 300.428 0.900 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000408005321 160009099 /nfs/dbraw/zinc/00/90/99/160009099.db2.gz UMWNYNLMEDLUHB-NXEZZACHSA-N 0 0 307.316 0.656 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@H]2CCO)C[C@H](C)O1 ZINC000408008672 160009371 /nfs/dbraw/zinc/00/93/71/160009371.db2.gz FWYFLVIMIRUOBE-GRYCIOLGSA-N 0 0 324.468 0.140 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)C(=O)N1CCCC[C@@H]1C ZINC000408008800 160009930 /nfs/dbraw/zinc/00/99/30/160009930.db2.gz GDIOLQUEECVYIU-RVMXOQNASA-N 0 0 309.410 0.807 10 0 DCAERN CN1C(=O)CCc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000408011513 160010417 /nfs/dbraw/zinc/01/04/17/160010417.db2.gz XNMHEWJTKSNOCE-CYBMUJFWSA-N 0 0 304.346 0.429 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCOCC1 ZINC000408011612 160010658 /nfs/dbraw/zinc/01/06/58/160010658.db2.gz YUBFIRWHBCGBOT-MXWKQRLJSA-N 0 0 310.316 0.621 10 0 DCAERN CN(C(=O)NC[C@H](O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000408015433 160011276 /nfs/dbraw/zinc/01/12/76/160011276.db2.gz BSGVCTWMUIORBF-STQMWFEESA-N 0 0 318.439 0.756 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000408017540 160011736 /nfs/dbraw/zinc/01/17/36/160011736.db2.gz SSRYSPNLQMZXHG-FRRDWIJNSA-N 0 0 322.471 0.711 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016052 160012099 /nfs/dbraw/zinc/01/20/99/160012099.db2.gz HIHBBNGYAIKJIO-VXGBXAGGSA-N 0 0 312.414 0.016 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cc(C)cc(=O)[nH]3)CCO2)[nH]1 ZINC000408018124 160012924 /nfs/dbraw/zinc/01/29/24/160012924.db2.gz YBOFQKWTUURNOB-LLVKDONJSA-N 0 0 303.322 0.736 10 0 DCAERN CN(CC1(O)CCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018576 160013049 /nfs/dbraw/zinc/01/30/49/160013049.db2.gz TYAAGLWQBCGWHI-LLVKDONJSA-N 0 0 304.412 0.462 10 0 DCAERN Cc1noc([C@@H]2CN(S(=O)(=O)CCCF)CCN2C)n1 ZINC000408026418 160014591 /nfs/dbraw/zinc/01/45/91/160014591.db2.gz DWZMRAAKSZITHE-JTQLQIEISA-N 0 0 306.363 0.356 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408027264 160015825 /nfs/dbraw/zinc/01/58/25/160015825.db2.gz MJMUPRGMQRNAMJ-ZDEQEGDKSA-N 0 0 322.427 0.076 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1C(N)=O ZINC000408031685 160016818 /nfs/dbraw/zinc/01/68/18/160016818.db2.gz OPNUTTHBXZXFLZ-NNYUYHANSA-N 0 0 303.428 0.262 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCN2C)n1 ZINC000408033979 160017469 /nfs/dbraw/zinc/01/74/69/160017469.db2.gz BQCQZBZXBZQGGI-ZDUSSCGKSA-N 0 0 316.365 0.914 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)NC2CCCCC2)C[C@H]1C(N)=O ZINC000408037399 160018766 /nfs/dbraw/zinc/01/87/66/160018766.db2.gz CVAVOQYNCWEBBG-ZYHUDNBSSA-N 0 0 310.398 0.198 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ncc(Br)s2)C1 ZINC000408037373 160018925 /nfs/dbraw/zinc/01/89/25/160018925.db2.gz CNXQFELDRUTOIE-SNVBAGLBSA-N 0 0 320.212 0.718 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408038013 160019402 /nfs/dbraw/zinc/01/94/02/160019402.db2.gz JHFGTBWBNGXTNV-GXTWGEPZSA-N 0 0 307.394 0.467 10 0 DCAERN CN(C)C(=O)CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408038974 160019468 /nfs/dbraw/zinc/01/94/68/160019468.db2.gz QLSUWYOMRMQXTJ-WCQYABFASA-N 0 0 307.394 0.467 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)CN2CCOCC2)CC1 ZINC000408043643 160020264 /nfs/dbraw/zinc/02/02/64/160020264.db2.gz YANURTQXAFIWMC-UHFFFAOYSA-N 0 0 307.398 0.336 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000408054606 160024310 /nfs/dbraw/zinc/02/43/10/160024310.db2.gz SWNSHMZFXQJVDK-NEPJUHHUSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@H]1C(N)=O ZINC000408054937 160024314 /nfs/dbraw/zinc/02/43/14/160024314.db2.gz PXVNCOWRVHGCJX-BGZDPUMWSA-N 0 0 321.299 0.023 10 0 DCAERN Cc1nc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c[nH]1 ZINC000408053693 160024454 /nfs/dbraw/zinc/02/44/54/160024454.db2.gz OXXTUJYKADWQIL-PWSUYJOCSA-N 0 0 310.329 0.130 10 0 DCAERN C[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCS1 ZINC000408062425 160026506 /nfs/dbraw/zinc/02/65/06/160026506.db2.gz OSEKRLRWACDFJG-JTQLQIEISA-N 0 0 304.375 0.755 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000408070217 160028532 /nfs/dbraw/zinc/02/85/32/160028532.db2.gz HWIFXCPVRXEQNN-NWDGAFQWSA-N 0 0 303.428 0.059 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2CS(N)(=O)=O)C[C@H](C)O1 ZINC000408076610 160030439 /nfs/dbraw/zinc/03/04/39/160030439.db2.gz LERKXYYFBIMDHQ-WRWGMCAJSA-N 0 0 304.412 0.470 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000408078103 160031186 /nfs/dbraw/zinc/03/11/86/160031186.db2.gz ATZNLJOQCWZLTQ-GARJFASQSA-N 0 0 303.380 0.079 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408080326 160031630 /nfs/dbraw/zinc/03/16/30/160031630.db2.gz RIWWTYDAOCVCTD-MNOVXSKESA-N 0 0 315.395 0.882 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000408081369 160032080 /nfs/dbraw/zinc/03/20/80/160032080.db2.gz RRTXVEGWKGNOFP-QWRGUYRKSA-N 0 0 302.334 0.163 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)C[C@H]1O ZINC000408088546 160033412 /nfs/dbraw/zinc/03/34/12/160033412.db2.gz JTDXOHJGGULTNW-NTZNESFSSA-N 0 0 315.395 0.236 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000408088811 160033477 /nfs/dbraw/zinc/03/34/77/160033477.db2.gz KUCMMXFEFQABIH-NEPJUHHUSA-N 0 0 301.412 0.931 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408104847 160036487 /nfs/dbraw/zinc/03/64/87/160036487.db2.gz RHDYHKOZJZWILC-JQWIXIFHSA-N 0 0 310.316 0.623 10 0 DCAERN C[C@H](C(=O)N1CCOc2cc(O)ccc2C1)N1CCOCC1 ZINC000408104332 160036549 /nfs/dbraw/zinc/03/65/49/160036549.db2.gz DLJRIGOMPXLVOS-GFCCVEGCSA-N 0 0 306.362 0.834 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000408111800 160038034 /nfs/dbraw/zinc/03/80/34/160038034.db2.gz FVSAVGCCVZVOKL-GFCCVEGCSA-N 0 0 322.409 0.404 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408110061 160038052 /nfs/dbraw/zinc/03/80/52/160038052.db2.gz KPOWHCRXWAZWSK-FBIMIBRVSA-N 0 0 311.382 0.493 10 0 DCAERN CC[C@@H]1CO[C@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408109278 160038083 /nfs/dbraw/zinc/03/80/83/160038083.db2.gz WMSTVUOXWHSUDI-GHMZBOCLSA-N 0 0 319.365 0.156 10 0 DCAERN COC(=O)c1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)no1 ZINC000408112877 160038440 /nfs/dbraw/zinc/03/84/40/160038440.db2.gz QPYCTTRFGBKWHF-GXSJLCMTSA-N 0 0 312.347 0.808 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408114030 160038674 /nfs/dbraw/zinc/03/86/74/160038674.db2.gz VLPUAEZIEDVKOM-LLVKDONJSA-N 0 0 316.361 0.265 10 0 DCAERN CCc1cnccc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408115215 160039432 /nfs/dbraw/zinc/03/94/32/160039432.db2.gz LLLDBHYVBMJBAX-UHFFFAOYSA-N 0 0 316.361 0.800 10 0 DCAERN C[C@H](C(=O)N1CCN(C(=O)C2CC2)CC1(C)C)N1CCOCC1 ZINC000408119945 160040207 /nfs/dbraw/zinc/04/02/07/160040207.db2.gz BCLAZTZFYOASGD-CYBMUJFWSA-N 0 0 323.437 0.567 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408126488 160042711 /nfs/dbraw/zinc/04/27/11/160042711.db2.gz PDGNZEHZUGWTNF-CYBMUJFWSA-N 0 0 305.378 0.945 10 0 DCAERN CNC(=O)C1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408128285 160042753 /nfs/dbraw/zinc/04/27/53/160042753.db2.gz IPNNWCNHGDWEEY-GFCCVEGCSA-N 0 0 307.394 0.374 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408131623 160043413 /nfs/dbraw/zinc/04/34/13/160043413.db2.gz ZPFLPIZBCSHBFF-KGLIPLIRSA-N 0 0 321.421 0.716 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000408151671 160048303 /nfs/dbraw/zinc/04/83/03/160048303.db2.gz RPJPZPAIZLVEPB-ZDUSSCGKSA-N 0 0 305.382 0.065 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(c3nccs3)CC2)O1 ZINC000408151075 160048648 /nfs/dbraw/zinc/04/86/48/160048648.db2.gz YTXNTJSRNHZUDW-WDEREUQCSA-N 0 0 309.391 0.882 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000408154579 160049265 /nfs/dbraw/zinc/04/92/65/160049265.db2.gz PZXRAUSTUBJNBL-JTQLQIEISA-N 0 0 306.341 0.742 10 0 DCAERN CC[C@@H]1C[C@@H](CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408170646 160051793 /nfs/dbraw/zinc/05/17/93/160051793.db2.gz VOOIXKHVYSQFPN-RWMBFGLXSA-N 0 0 318.439 0.732 10 0 DCAERN CCc1nc(C)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000408180918 160053974 /nfs/dbraw/zinc/05/39/74/160053974.db2.gz XLFBWNJGSAAZOV-SECBINFHSA-N 0 0 317.436 0.778 10 0 DCAERN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183191 160054184 /nfs/dbraw/zinc/05/41/84/160054184.db2.gz PCQHCUXEFWPJKC-UPJWGTAASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC000408182074 160054649 /nfs/dbraw/zinc/05/46/49/160054649.db2.gz HCWLVKLHWJCVTQ-RYUDHWBXSA-N 0 0 302.440 0.895 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3ccccc32)C1 ZINC000408181954 160054699 /nfs/dbraw/zinc/05/46/99/160054699.db2.gz GVRBDKFNKHJHNA-JSGCOSHPSA-N 0 0 308.403 0.867 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C1=O ZINC000408186640 160055460 /nfs/dbraw/zinc/05/54/60/160055460.db2.gz IVHAEXHNCPJDEL-SRVKXCTJSA-N 0 0 323.393 0.326 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408189055 160056069 /nfs/dbraw/zinc/05/60/69/160056069.db2.gz VHBYWGNYXRJWFR-XDQVBPFNSA-N 0 0 324.446 0.917 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000408191591 160056781 /nfs/dbraw/zinc/05/67/81/160056781.db2.gz HAKSGZDLCSJTCV-IHRRRGAJSA-N 0 0 320.455 0.272 10 0 DCAERN CN1CCc2ccc(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc21 ZINC000408194430 160056828 /nfs/dbraw/zinc/05/68/28/160056828.db2.gz IAMSLQRQVUYKTK-GFCCVEGCSA-N 0 0 309.391 0.182 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)CC(=O)N1 ZINC000408197236 160057469 /nfs/dbraw/zinc/05/74/69/160057469.db2.gz HGNJTODTIRAYHV-QWHCGFSZSA-N 0 0 317.389 0.956 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C)nc(C)n2)C1 ZINC000408198114 160057717 /nfs/dbraw/zinc/05/77/17/160057717.db2.gz LLIPBFZEDOAPJH-NSHDSACASA-N 0 0 312.395 0.247 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CC(=O)N1 ZINC000408200998 160058063 /nfs/dbraw/zinc/05/80/63/160058063.db2.gz CRLLSQLTVWEVJY-ZOBORPQBSA-N 0 0 311.426 0.205 10 0 DCAERN COCc1n[nH]c([C@@H]2CCCCN2S(=O)(=O)NC(C)C)n1 ZINC000408207463 160059787 /nfs/dbraw/zinc/05/97/87/160059787.db2.gz SDXJGICWUJWDOT-JTQLQIEISA-N 0 0 317.415 0.721 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cn1 ZINC000408206479 160060244 /nfs/dbraw/zinc/06/02/44/160060244.db2.gz OKPWXNBMXZQJOX-QWRGUYRKSA-N 0 0 308.386 0.185 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208343 160060921 /nfs/dbraw/zinc/06/09/21/160060921.db2.gz VZUVMXLWYAQMPB-NEPJUHHUSA-N 0 0 305.444 0.150 10 0 DCAERN O=S(=O)(N(CCO)[C@@H]1CCCSC1)N1CCCCC1 ZINC000408223175 160063280 /nfs/dbraw/zinc/06/32/80/160063280.db2.gz DAXHJOUOJDJYQS-GFCCVEGCSA-N 0 0 308.469 0.907 10 0 DCAERN O=S(=O)(CC1CCOCC1)N(CCO)[C@H]1CCCSC1 ZINC000408228183 160063898 /nfs/dbraw/zinc/06/38/98/160063898.db2.gz WIEKJXGMLXIJNN-ZDUSSCGKSA-N 0 0 323.480 0.933 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000408224436 160064080 /nfs/dbraw/zinc/06/40/80/160064080.db2.gz WOSVQFLJAYTRQI-OLZOCXBDSA-N 0 0 324.425 0.459 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)s1 ZINC000408231312 160064975 /nfs/dbraw/zinc/06/49/75/160064975.db2.gz HFJMAWAGQAOQIV-NSHDSACASA-N 0 0 308.407 0.633 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408237054 160066091 /nfs/dbraw/zinc/06/60/91/160066091.db2.gz RUFDUUQZYUVUKI-SECBINFHSA-N 0 0 306.384 0.014 10 0 DCAERN Cc1c(C(=O)N2CC[C@H](O)C2(C)C)cccc1S(N)(=O)=O ZINC000408241126 160066806 /nfs/dbraw/zinc/06/68/06/160066806.db2.gz SRPMQYAUAIJYHZ-LBPRGKRZSA-N 0 0 312.391 0.628 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(=O)NC(C)(C)C ZINC000408238462 160067063 /nfs/dbraw/zinc/06/70/63/160067063.db2.gz SDYAODNTAJTFQI-GMTAPVOTSA-N 0 0 321.443 0.233 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000408240377 160067144 /nfs/dbraw/zinc/06/71/44/160067144.db2.gz MKJTYRPLEKRIJJ-CQSZACIVSA-N 0 0 318.421 0.575 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)N1CCOCC1 ZINC000408239375 160067195 /nfs/dbraw/zinc/06/71/95/160067195.db2.gz YIECBZUGQXCZNC-SNVBAGLBSA-N 0 0 316.427 0.135 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)CCS1(=O)=O ZINC000408243700 160067802 /nfs/dbraw/zinc/06/78/02/160067802.db2.gz JVCSFQWOPQVWNH-DGIBIBHMSA-N 0 0 322.452 0.116 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCC2CCOCC2)C1 ZINC000408243266 160067970 /nfs/dbraw/zinc/06/79/70/160067970.db2.gz FLNUQNXEKOJCGN-GFCCVEGCSA-N 0 0 304.412 0.343 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408246469 160068386 /nfs/dbraw/zinc/06/83/86/160068386.db2.gz MPJBGRRHTNDSBO-UHFFFAOYSA-N 0 0 320.411 0.404 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)c2n1 ZINC000408248060 160068980 /nfs/dbraw/zinc/06/89/80/160068980.db2.gz RSLUIPSZTRSKJD-MRXNPFEDSA-N 0 0 313.361 0.780 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408247698 160069172 /nfs/dbraw/zinc/06/91/72/160069172.db2.gz PSEXWQRBCJBTJZ-MEDUHNTESA-N 0 0 309.410 0.666 10 0 DCAERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248012 160069211 /nfs/dbraw/zinc/06/92/11/160069211.db2.gz RHNAENAVPOXLDM-KRWDZBQOSA-N 0 0 321.421 0.812 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](CCO)C1)CC2 ZINC000408249227 160069494 /nfs/dbraw/zinc/06/94/94/160069494.db2.gz QVEVBZOLDVEISQ-NEPJUHHUSA-N 0 0 307.398 0.569 10 0 DCAERN Cn1nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC(F)F ZINC000408265955 160072280 /nfs/dbraw/zinc/07/22/80/160072280.db2.gz VXQONCPLERMJHB-OYNCUSHFSA-N 0 0 301.293 0.864 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CCC[C@@]3(CCCOC3)C2)cn1 ZINC000408274872 160074249 /nfs/dbraw/zinc/07/42/49/160074249.db2.gz PXJNAHUTOJEVPH-GOEBONIOSA-N 0 0 307.394 0.743 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000408279666 160075030 /nfs/dbraw/zinc/07/50/30/160075030.db2.gz BOQYBCIJBLCICO-NSHDSACASA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCN1CCCCC1=O ZINC000408287187 160076475 /nfs/dbraw/zinc/07/64/75/160076475.db2.gz PIBJXYBFDKRWGQ-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN COCCN1CCCN(C(=O)N2CCC(OC)CC2)CC1=O ZINC000408287129 160076534 /nfs/dbraw/zinc/07/65/34/160076534.db2.gz PCXDETQKIOYTIT-UHFFFAOYSA-N 0 0 313.398 0.398 10 0 DCAERN CC(C)(O)CC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000408292725 160077315 /nfs/dbraw/zinc/07/73/15/160077315.db2.gz UYAZGUBKFCFJCS-UHFFFAOYSA-N 0 0 304.412 0.220 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](O)C[C@H]1C ZINC000408292996 160077501 /nfs/dbraw/zinc/07/75/01/160077501.db2.gz FIXBITIWMCYBBF-SFYZADRCSA-N 0 0 304.393 0.299 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)C1 ZINC000408292603 160077794 /nfs/dbraw/zinc/07/77/94/160077794.db2.gz DIRIXQRJJOMJMP-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000408290300 160077813 /nfs/dbraw/zinc/07/78/13/160077813.db2.gz IMXADWGEHAKPEK-KFNAQCHYSA-N 0 0 308.378 0.137 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cn3ccnc3s2)C1 ZINC000408297012 160079007 /nfs/dbraw/zinc/07/90/07/160079007.db2.gz HJRNJPDNSSSZBT-MRVPVSSYSA-N 0 0 314.392 0.289 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)CO1 ZINC000408298149 160079464 /nfs/dbraw/zinc/07/94/64/160079464.db2.gz MHEYJLAKJCHFGU-CHWSQXEVSA-N 0 0 319.409 0.616 10 0 DCAERN CC1(C)COCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408304270 160080751 /nfs/dbraw/zinc/08/07/51/160080751.db2.gz AMHUMZUKKHVSKE-UHFFFAOYSA-N 0 0 316.354 0.724 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000408303976 160080934 /nfs/dbraw/zinc/08/09/34/160080934.db2.gz VESCPDZDQMKBRV-UWVGGRQHSA-N 0 0 303.384 0.681 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408309160 160082082 /nfs/dbraw/zinc/08/20/82/160082082.db2.gz XGUGMCHAZOTAGQ-GFCCVEGCSA-N 0 0 308.300 0.915 10 0 DCAERN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCCC2)CC1 ZINC000408320718 160084281 /nfs/dbraw/zinc/08/42/81/160084281.db2.gz PSEDJFKCXTWGQL-UHFFFAOYSA-N 0 0 324.468 0.474 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CCC[C@@H]1CCO)C2 ZINC000408324233 160085401 /nfs/dbraw/zinc/08/54/01/160085401.db2.gz JTSMCDXGMWGJSB-DGCLKSJQSA-N 0 0 320.393 0.399 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCc4c(ncn(C)c4=O)C3)c2n1 ZINC000408323974 160085747 /nfs/dbraw/zinc/08/57/47/160085747.db2.gz FOGSKOPSKXROMI-UHFFFAOYSA-N 0 0 324.344 0.330 10 0 DCAERN CSc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C ZINC000408329388 160086267 /nfs/dbraw/zinc/08/62/67/160086267.db2.gz MNVIJTJKNGJHPV-LLVKDONJSA-N 0 0 310.423 0.689 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000408354177 160090895 /nfs/dbraw/zinc/09/08/95/160090895.db2.gz IJEJCNPLTUSGQJ-CQSZACIVSA-N 0 0 324.425 0.461 10 0 DCAERN CCCNS(=O)(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000408357205 160091554 /nfs/dbraw/zinc/09/15/54/160091554.db2.gz JGEFYLUTUINFLC-SNVBAGLBSA-N 0 0 301.416 0.900 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000408363133 160092427 /nfs/dbraw/zinc/09/24/27/160092427.db2.gz UNXJGENBNYMQBX-ZDUSSCGKSA-N 0 0 315.443 0.851 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC(O)(C2CC2)C1 ZINC000408365261 160093081 /nfs/dbraw/zinc/09/30/81/160093081.db2.gz FYXLJTFTVDFNQG-VXGBXAGGSA-N 0 0 316.423 0.509 10 0 DCAERN Cn1ncc(Br)c1CN1CCCN(C(N)=O)CC1 ZINC000408365258 160093288 /nfs/dbraw/zinc/09/32/88/160093288.db2.gz FRPVUHWMLZMNQU-UHFFFAOYSA-N 0 0 316.203 0.769 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NCC1(O)CCCC1 ZINC000408364669 160093307 /nfs/dbraw/zinc/09/33/07/160093307.db2.gz AUSNQDKRJBUMAH-VXGBXAGGSA-N 0 0 318.439 0.947 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000408370334 160093748 /nfs/dbraw/zinc/09/37/48/160093748.db2.gz JLAXGCSEGXGSJZ-XHDPSFHLSA-N 0 0 323.418 0.909 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCO[C@@H](CO)C1 ZINC000408369327 160093933 /nfs/dbraw/zinc/09/39/33/160093933.db2.gz VOUYBFKZJKSVPO-UPJWGTAASA-N 0 0 313.398 0.084 10 0 DCAERN C[C@@H]1Oc2ccc(NC(=O)N3CCO[C@H](CO)C3)cc2NC1=O ZINC000408380011 160095935 /nfs/dbraw/zinc/09/59/35/160095935.db2.gz SAHYOOLOCAOHBM-ONGXEEELSA-N 0 0 321.333 0.631 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CC1=O ZINC000408380889 160096011 /nfs/dbraw/zinc/09/60/11/160096011.db2.gz DQQGAJFIYQPGTN-NEPJUHHUSA-N 0 0 320.397 0.703 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000408391944 160099301 /nfs/dbraw/zinc/09/93/01/160099301.db2.gz AFRLEZSERHNJRU-GFCCVEGCSA-N 0 0 304.412 0.342 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)[C@H]1CCCO1 ZINC000408394219 160099634 /nfs/dbraw/zinc/09/96/34/160099634.db2.gz OIQPRMWVSIEXNJ-ZDEQEGDKSA-N 0 0 322.427 0.124 10 0 DCAERN CC(=O)N[C@@H](C)C1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000408403110 160101144 /nfs/dbraw/zinc/10/11/44/160101144.db2.gz CPIWZPAWRHXFQC-VIFPVBQESA-N 0 0 317.397 0.687 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@](C)=O)CCC2)C[C@H](C)O1 ZINC000408407540 160101813 /nfs/dbraw/zinc/10/18/13/160101813.db2.gz QUTVGMLTBSUJKP-QQKBFRNYSA-N 0 0 324.468 0.231 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000408406041 160102105 /nfs/dbraw/zinc/10/21/05/160102105.db2.gz GKQOMTGVJVZCEV-SNVBAGLBSA-N 0 0 306.432 0.259 10 0 DCAERN C[C@@H]1CN([C@H]2CCCN(CC(F)(F)F)C2=O)C[C@H](C(N)=O)O1 ZINC000408417932 160104091 /nfs/dbraw/zinc/10/40/91/160104091.db2.gz UJWLQXLZWXCXAC-KXUCPTDWSA-N 0 0 323.315 0.114 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408420706 160104121 /nfs/dbraw/zinc/10/41/21/160104121.db2.gz ZELRMDZZBUFOBJ-YNEHKIRRSA-N 0 0 320.455 0.823 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2OC)CCO1 ZINC000408428598 160106216 /nfs/dbraw/zinc/10/62/16/160106216.db2.gz FGNGVCQBKAXBKF-SDDRHHMPSA-N 0 0 300.355 0.527 10 0 DCAERN O=c1nc(CN2C[C@@H](O)[C@H](O)C2)[nH]c2sc3c(c21)CCC3 ZINC000408441109 160108642 /nfs/dbraw/zinc/10/86/42/160108642.db2.gz GWNHLCZCVMTCIC-RKDXNWHRSA-N 0 0 307.375 0.423 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)nc2)n1 ZINC000408450676 160110947 /nfs/dbraw/zinc/11/09/47/160110947.db2.gz JRTSTXJZIRKKTA-CMPLNLGQSA-N 0 0 324.362 0.578 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC(=O)N1 ZINC000408465249 160114946 /nfs/dbraw/zinc/11/49/46/160114946.db2.gz JVQJAQXMHZHNFK-SKDRFNHKSA-N 0 0 319.386 0.836 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 ZINC000408473934 160116551 /nfs/dbraw/zinc/11/65/51/160116551.db2.gz UDCIXDKVJCMSFV-TZMCWYRMSA-N 0 0 314.389 0.945 10 0 DCAERN COc1ccc(CNC(=O)CN2CCNC(=O)C2(C)C)cc1 ZINC000104073474 286938488 /nfs/dbraw/zinc/93/84/88/286938488.db2.gz ULHZFCCXPBVUBJ-UHFFFAOYSA-N 0 0 305.378 0.522 10 0 DCAERN CC(C)n1nnnc1CNc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092246649 286936865 /nfs/dbraw/zinc/93/68/65/286936865.db2.gz CRIIZXXFMZERTQ-UHFFFAOYSA-N 0 0 314.353 0.751 10 0 DCAERN CCc1nc(C2(NCC(=O)N3CCN(C)CC3)CCCC2)no1 ZINC000093177240 286937348 /nfs/dbraw/zinc/93/73/48/286937348.db2.gz OXGPRCVFLXKFSR-UHFFFAOYSA-N 0 0 321.425 0.765 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCO[C@H](Cn2cccn2)C1 ZINC000120144361 286950861 /nfs/dbraw/zinc/95/08/61/286950861.db2.gz XETFRLJKMUFLBZ-AWEZNQCLSA-N 0 0 315.439 0.797 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C(N)=O)cn1C ZINC000120554597 286951986 /nfs/dbraw/zinc/95/19/86/286951986.db2.gz ZYTXGDRIXXUWQR-SECBINFHSA-N 0 0 317.393 0.835 10 0 DCAERN O=C(Nc1cccn(Cc2ccccc2)c1=O)[C@H]1CNC(=O)C1 ZINC000122842706 286959184 /nfs/dbraw/zinc/95/91/84/286959184.db2.gz XLIZAVPZDXAZBG-CYBMUJFWSA-N 0 0 311.341 0.971 10 0 DCAERN Cc1noc(C)c1C[C@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000130576704 286994620 /nfs/dbraw/zinc/99/46/20/286994620.db2.gz HMUTXSPDWMSCEA-QMMMGPOBSA-N 0 0 322.365 0.669 10 0 DCAERN O=C(CNc1cncc(OCCO)n1)NCCc1ccccc1 ZINC000132047846 287003290 /nfs/dbraw/zinc/00/32/90/287003290.db2.gz MBUWBDZZXZXODH-UHFFFAOYSA-N 0 0 316.361 0.619 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000132064574 287003559 /nfs/dbraw/zinc/00/35/59/287003559.db2.gz ISCIMSXOPXQVOU-RWMBFGLXSA-N 0 0 309.410 0.795 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000132299053 287004966 /nfs/dbraw/zinc/00/49/66/287004966.db2.gz SAUQOGYHUDHFGI-QWRGUYRKSA-N 0 0 324.381 0.782 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2[C@H](C)CC[C@@H]2C)n(C)n1 ZINC000134289489 287015930 /nfs/dbraw/zinc/01/59/30/287015930.db2.gz WGPRUJYWQGPJCQ-PHIMTYICSA-N 0 0 308.382 0.947 10 0 DCAERN COCCCCS(=O)(=O)NCc1cccnc1N(C)C ZINC000136112957 287025436 /nfs/dbraw/zinc/02/54/36/287025436.db2.gz YDCWFSCEKQIOCC-UHFFFAOYSA-N 0 0 301.412 0.994 10 0 DCAERN Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)c1 ZINC000152126885 287039061 /nfs/dbraw/zinc/03/90/61/287039061.db2.gz SIAFIBVEIAGIDL-CYBMUJFWSA-N 0 0 312.329 0.716 10 0 DCAERN C[C@H]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@@H](C)C1 ZINC000163492111 287051171 /nfs/dbraw/zinc/05/11/71/287051171.db2.gz XZJOSXIAVPTVQN-RYUDHWBXSA-N 0 0 317.455 0.797 10 0 DCAERN C[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 ZINC000177365902 287054681 /nfs/dbraw/zinc/05/46/81/287054681.db2.gz NZZLISCDEUSART-DYVFJYSZSA-N 0 0 318.373 0.980 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186876240 287057840 /nfs/dbraw/zinc/05/78/40/287057840.db2.gz SEQHJEVXMRRPAG-GWCFXTLKSA-N 0 0 321.425 0.840 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186876273 287057925 /nfs/dbraw/zinc/05/79/25/287057925.db2.gz SEQHJEVXMRRPAG-GXFFZTMASA-N 0 0 321.425 0.840 10 0 DCAERN CCn1cc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)ccc1=O ZINC000186886942 287057950 /nfs/dbraw/zinc/05/79/50/287057950.db2.gz XGORGGDMMARCID-UHFFFAOYSA-N 0 0 311.301 0.752 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCNC(=O)CC2)n1 ZINC000193393857 287060813 /nfs/dbraw/zinc/06/08/13/287060813.db2.gz ILANHXWHPACENL-UHFFFAOYSA-N 0 0 310.379 0.554 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1COCCN1 ZINC000235739627 287065114 /nfs/dbraw/zinc/06/51/14/287065114.db2.gz XGUYDSKIZGGFPI-JTQLQIEISA-N 0 0 304.799 0.915 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)[nH]1 ZINC000245555884 287070742 /nfs/dbraw/zinc/07/07/42/287070742.db2.gz IRUFDICVPFUSQJ-TZMCWYRMSA-N 0 0 304.394 0.960 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000245883560 287073826 /nfs/dbraw/zinc/07/38/26/287073826.db2.gz NZDFITQZJQUBLZ-SRVKXCTJSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)C1 ZINC000245907760 287074165 /nfs/dbraw/zinc/07/41/65/287074165.db2.gz UODWAFVXTRSGPG-RKDXNWHRSA-N 0 0 304.334 0.818 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000246085943 287076480 /nfs/dbraw/zinc/07/64/80/287076480.db2.gz GGFYVNORYQRIBI-STQMWFEESA-N 0 0 305.444 0.366 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)C1 ZINC000246509276 287084465 /nfs/dbraw/zinc/08/44/65/287084465.db2.gz UBPFQWAFADNBAK-BZPMIXESSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246563713 287085355 /nfs/dbraw/zinc/08/53/55/287085355.db2.gz FDHIIQSWCHGDSX-VOAKCMCISA-N 0 0 306.428 0.576 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000246744768 287087448 /nfs/dbraw/zinc/08/74/48/287087448.db2.gz WXLNCARIDUZXOM-OLZOCXBDSA-N 0 0 324.425 0.112 10 0 DCAERN CNC(=O)Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@H]32)cs1 ZINC000246826673 287088501 /nfs/dbraw/zinc/08/85/01/287088501.db2.gz ZEAVQIODHUSMIA-NWDGAFQWSA-N 0 0 322.434 0.675 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247047526 287090624 /nfs/dbraw/zinc/09/06/24/287090624.db2.gz JHUJBAWSBUCSEY-ZYHUDNBSSA-N 0 0 303.428 0.057 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000247175050 287091820 /nfs/dbraw/zinc/09/18/20/287091820.db2.gz UIRKOLGWEVBQKG-IJLUTSLNSA-N 0 0 304.412 0.519 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000248653833 287099162 /nfs/dbraw/zinc/09/91/62/287099162.db2.gz CFMIANCCADUNKN-STQMWFEESA-N 0 0 308.444 0.130 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000248687659 287099833 /nfs/dbraw/zinc/09/98/33/287099833.db2.gz VZPZAUQKAFSZOE-OPDFLTKYSA-N 0 0 308.378 0.845 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000248684614 287099909 /nfs/dbraw/zinc/09/99/09/287099909.db2.gz GTYNQERIYDWFTP-STQMWFEESA-N 0 0 305.444 0.368 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)C1 ZINC000248740108 287100758 /nfs/dbraw/zinc/10/07/58/287100758.db2.gz DDPIMHFHPZFQLA-AYRXBEOTSA-N 0 0 311.426 0.347 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n1 ZINC000248759412 287101199 /nfs/dbraw/zinc/10/11/99/287101199.db2.gz XQNVLXGOMNPIBM-STQMWFEESA-N 0 0 320.393 0.242 10 0 DCAERN C[C@H]1CN(C[C@@H](O)C2CCCCC2)CCN1S(C)(=O)=O ZINC000249134518 287106948 /nfs/dbraw/zinc/10/69/48/287106948.db2.gz VFXDAXNTBMRKRX-GXTWGEPZSA-N 0 0 304.456 0.893 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC[C@H]1C ZINC000249193197 287107884 /nfs/dbraw/zinc/10/78/84/287107884.db2.gz PQQZHAIBZXYFJJ-IJLUTSLNSA-N 0 0 320.455 0.834 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249379949 287109348 /nfs/dbraw/zinc/10/93/48/287109348.db2.gz ZPZDAMOEABVGCY-SRVKXCTJSA-N 0 0 316.423 0.088 10 0 DCAERN C[C@H](C(=O)N1CCc2ccccc21)N1CCN(CCO)[C@H](C)C1 ZINC000249561577 287114319 /nfs/dbraw/zinc/11/43/19/287114319.db2.gz LTCLQUPJGDJDMU-HUUCEWRRSA-N 0 0 317.433 0.963 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](CO)O1 ZINC000249439442 287110983 /nfs/dbraw/zinc/11/09/83/287110983.db2.gz SSLAUYGTPCSNPG-IJLUTSLNSA-N 0 0 324.343 0.869 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@]1(C)C(=O)OC ZINC000249457792 287111275 /nfs/dbraw/zinc/11/12/75/287111275.db2.gz NZZWETIQGFTKLN-CYBMUJFWSA-N 0 0 304.412 0.991 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000249489178 287111813 /nfs/dbraw/zinc/11/18/13/287111813.db2.gz XWPJUXSUZBWCBL-MCIONIFRSA-N 0 0 320.455 0.825 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000249489180 287111887 /nfs/dbraw/zinc/11/18/87/287111887.db2.gz XWPJUXSUZBWCBL-RDBSUJKOSA-N 0 0 320.455 0.825 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@@H]3CC[C@@H](O)[C@H]3C1)CS2 ZINC000252868954 287121099 /nfs/dbraw/zinc/12/10/99/287121099.db2.gz NNJQZRMSMYYTKQ-NAYUARGSSA-N 0 0 310.419 0.670 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784865 287121537 /nfs/dbraw/zinc/12/15/37/287121537.db2.gz GDHCWKJZXRQUTQ-KOLCDFICSA-N 0 0 312.753 0.820 10 0 DCAERN CC=CC[C@H]1NC(=O)N(C2CCN(C(=O)CCOC)CC2)C1=O ZINC000358786440 287213073 /nfs/dbraw/zinc/21/30/73/287213073.db2.gz OIOFWPWIMQQYBB-DHCBQETCSA-N 0 0 323.393 0.901 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C)n2)o1 ZINC000130560511 196090990 /nfs/dbraw/zinc/09/09/90/196090990.db2.gz CCNCYVRIEHBBKV-UHFFFAOYSA-N 0 0 309.347 0.821 10 0 DCAERN CNc1ncnc2cc(C(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000612626713 412340173 /nfs/dbraw/zinc/34/01/73/412340173.db2.gz HHRACCRTNJGIMG-LLVKDONJSA-N 0 0 302.334 0.505 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000494435590 412355528 /nfs/dbraw/zinc/35/55/28/412355528.db2.gz JBHVGTHXDUCMBE-UHFFFAOYSA-N 0 0 324.381 0.491 10 0 DCAERN Cn1ncc(C(=O)NCCCn2ccnn2)c1Br ZINC000379140119 685234967 /nfs/dbraw/zinc/23/49/67/685234967.db2.gz AISSDYQNVVWMQI-UHFFFAOYSA-N 0 0 313.159 0.594 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248508954 298906945 /nfs/dbraw/zinc/90/69/45/298906945.db2.gz YMWLLWLHYYHZNX-WBSWQSFASA-N 0 0 317.455 0.116 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NCC[C@H]2CCCO2)CC1 ZINC000023189980 415158710 /nfs/dbraw/zinc/15/87/10/415158710.db2.gz MCKPZJIJOJQVGG-GFCCVEGCSA-N 0 0 304.412 0.343 10 0 DCAERN OCCO[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000265260182 415126016 /nfs/dbraw/zinc/12/60/16/415126016.db2.gz YFOWVUIBYSNGHV-UONOGXRCSA-N 0 0 322.409 0.415 10 0 DCAERN Cn1ccnc1N1CCN(c2ncnc3c2CN(C)CC3)CC1 ZINC000266191246 415136133 /nfs/dbraw/zinc/13/61/33/415136133.db2.gz BQEFYQFVNBXGRO-UHFFFAOYSA-N 0 0 313.409 0.525 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268153504 415169211 /nfs/dbraw/zinc/16/92/11/415169211.db2.gz PGENRJFBZNWYAB-NSHDSACASA-N 0 0 314.411 0.490 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)N[C@@H]1CCCCNC1=O ZINC000045540258 415245920 /nfs/dbraw/zinc/24/59/20/415245920.db2.gz MPKICEORBRJPQI-CYBMUJFWSA-N 0 0 318.377 0.384 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000342713056 415264345 /nfs/dbraw/zinc/26/43/45/415264345.db2.gz JTMOPPZPVKXTAK-ZYHUDNBSSA-N 0 0 316.423 0.469 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)N[C@@H](C)C3=O)C2=O)n(C)n1 ZINC000272047522 415271277 /nfs/dbraw/zinc/27/12/77/415271277.db2.gz AZLAAVPXOHNYAD-VHSXEESVSA-N 0 0 305.338 0.164 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)NCCc1ccsc1 ZINC000061977448 415348272 /nfs/dbraw/zinc/34/82/72/415348272.db2.gz LFBYNIZSMURQLQ-UHFFFAOYSA-N 0 0 305.425 0.529 10 0 DCAERN NC(=O)CCNC(=O)NCCc1csc(N2CCCC2)n1 ZINC000073602074 415423080 /nfs/dbraw/zinc/42/30/80/415423080.db2.gz JTDHCIVIZCIUNI-UHFFFAOYSA-N 0 0 311.411 0.460 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820249 415379859 /nfs/dbraw/zinc/37/98/59/415379859.db2.gz UQRAXKPAWVGHKG-KZSQQDEKSA-N 0 0 321.396 0.957 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000332827552 415488533 /nfs/dbraw/zinc/48/85/33/415488533.db2.gz BBBVADWUOGDZKK-ZSAUSMIDSA-N 0 0 320.437 0.731 10 0 DCAERN Cc1cc(C)n(-c2cncc(N[C@H]3CCS(=O)(=O)C3)n2)n1 ZINC000084105318 415493450 /nfs/dbraw/zinc/49/34/50/415493450.db2.gz XLLXZISMISAPNW-NSHDSACASA-N 0 0 307.379 0.878 10 0 DCAERN C[C@@H](CNC(=O)CCOC1CCOCC1)N1CCOCC1 ZINC000084581541 415495046 /nfs/dbraw/zinc/49/50/46/415495046.db2.gz HMNBGXBEEBNIGL-ZDUSSCGKSA-N 0 0 300.399 0.409 10 0 DCAERN CC(=O)CCCC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000343195847 415497058 /nfs/dbraw/zinc/49/70/58/415497058.db2.gz LIGKXIRNFWDUDB-LBPRGKRZSA-N 0 0 304.412 0.676 10 0 DCAERN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000332866384 415497211 /nfs/dbraw/zinc/49/72/11/415497211.db2.gz IZVFYEPAQJHRSJ-NQBHXWOUSA-N 0 0 315.439 0.298 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cnn1 ZINC000276204871 415450230 /nfs/dbraw/zinc/45/02/30/415450230.db2.gz KECYAOSBYLEJLZ-LBPRGKRZSA-N 0 0 306.391 0.826 10 0 DCAERN CC(C)N(CC(N)=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076685098 415456700 /nfs/dbraw/zinc/45/67/00/415456700.db2.gz YMGDRYLYWMYLSF-JTQLQIEISA-N 0 0 309.332 0.983 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079420207 415470975 /nfs/dbraw/zinc/47/09/75/415470975.db2.gz LSTNSFFBFANUTI-SNVBAGLBSA-N 0 0 316.361 0.958 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CC(O)C1 ZINC000091525569 415533177 /nfs/dbraw/zinc/53/31/77/415533177.db2.gz VJDCNWDCRRDKTK-HTAVTVPLSA-N 0 0 304.412 0.078 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCCN(CCO)CC1 ZINC000333138545 415567145 /nfs/dbraw/zinc/56/71/45/415567145.db2.gz IXAFQXSRKVSIIJ-RDBSUJKOSA-N 0 0 302.440 0.505 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000333294331 415604054 /nfs/dbraw/zinc/60/40/54/415604054.db2.gz KZVDJLWIZNRDTL-GJZGRUSLSA-N 0 0 323.437 0.614 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)N3CC(F)C3)C2)c1=O ZINC000333347142 415619301 /nfs/dbraw/zinc/61/93/01/415619301.db2.gz VAGLHNMBBNYMKQ-LLVKDONJSA-N 0 0 309.345 0.112 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1=O ZINC000333194328 415584091 /nfs/dbraw/zinc/58/40/91/415584091.db2.gz SZQRQZBUFGHOBG-KXNHARMFSA-N 0 0 314.407 0.630 10 0 DCAERN C[C@@H](CN1CCOCC1)NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333220963 415585863 /nfs/dbraw/zinc/58/58/63/415585863.db2.gz WNTQQXIOFRYDBH-CRWXNKLISA-N 0 0 302.440 0.815 10 0 DCAERN CC[C@]1(CO)CCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000333477761 415662783 /nfs/dbraw/zinc/66/27/83/415662783.db2.gz XIKVBOGFIBQHSO-MRXNPFEDSA-N 0 0 307.394 0.900 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000287368067 415664881 /nfs/dbraw/zinc/66/48/81/415664881.db2.gz MTBXKZWLQRRRQP-IONNQARKSA-N 0 0 317.798 0.989 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000333576724 415688322 /nfs/dbraw/zinc/68/83/22/415688322.db2.gz NFJLAUNMTNTGAT-YIYPIFLZSA-N 0 0 323.393 0.589 10 0 DCAERN c1cc(NCCCOC[C@@H]2CCOC2)nc(N2CCOCC2)n1 ZINC000353949786 415697179 /nfs/dbraw/zinc/69/71/79/415697179.db2.gz FIDLELCBVCMCKW-AWEZNQCLSA-N 0 0 322.409 1.168 10 0 DCAERN Cn1ncc2c1C[C@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000289761488 415716674 /nfs/dbraw/zinc/71/66/74/415716674.db2.gz PFVXOETVOSSFQQ-RISCZKNCSA-N 0 0 314.393 0.748 10 0 DCAERN O=C(N[C@H]1CCc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000333711091 415722351 /nfs/dbraw/zinc/72/23/51/415722351.db2.gz MDWRDMZONRRUIM-YPMHNXCESA-N 0 0 307.371 0.735 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000120835822 415786894 /nfs/dbraw/zinc/78/68/94/415786894.db2.gz YCQQGMHNGSSGRB-BDAKNGLRSA-N 0 0 303.409 0.734 10 0 DCAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000121117130 415793155 /nfs/dbraw/zinc/79/31/55/415793155.db2.gz WWDHAIVJGWBCPL-CYBMUJFWSA-N 0 0 315.333 0.189 10 0 DCAERN COc1cccc(OC)c1CC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000121202051 415796054 /nfs/dbraw/zinc/79/60/54/415796054.db2.gz SCJBODOSEFQFME-LLVKDONJSA-N 0 0 306.362 0.983 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(-n3cncn3)c(C)c2)C1 ZINC000121288649 415801099 /nfs/dbraw/zinc/80/10/99/415801099.db2.gz WUKCVBVTFRLNGK-UHFFFAOYSA-N 0 0 313.361 0.784 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)no1 ZINC000121503343 415805111 /nfs/dbraw/zinc/80/51/11/415805111.db2.gz OIAUSQBBVOBIGW-LLVKDONJSA-N 0 0 302.338 0.851 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)C[C@@H](C)O1 ZINC000131782508 415929041 /nfs/dbraw/zinc/92/90/41/415929041.db2.gz FSALZXAJYVHSTP-IWMBGFJWSA-N 0 0 320.455 0.823 10 0 DCAERN C[C@@H](NC(=O)c1noc2c1CCCC2)C(=O)N1CCOCC1 ZINC000130150655 415914984 /nfs/dbraw/zinc/91/49/84/415914984.db2.gz RQGNPQKBDYIFAB-SNVBAGLBSA-N 0 0 307.350 0.531 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000130925744 415922490 /nfs/dbraw/zinc/92/24/90/415922490.db2.gz OFMDFERRTWDPNV-NSHDSACASA-N 0 0 322.413 0.883 10 0 DCAERN CCOC(=O)CN(C[C@H](O)CN1CCCC1=O)C(C)(C)C ZINC000130810466 415924942 /nfs/dbraw/zinc/92/49/42/415924942.db2.gz SVUGQFJRHPZOEZ-GFCCVEGCSA-N 0 0 300.399 0.633 10 0 DCAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)on1 ZINC000134369380 415955686 /nfs/dbraw/zinc/95/56/86/415955686.db2.gz HYXODGIXEOVZEA-TZMCWYRMSA-N 0 0 308.382 0.988 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000151540386 415964644 /nfs/dbraw/zinc/96/46/44/415964644.db2.gz UZEQQJFACSQCKD-YPMHNXCESA-N 0 0 322.413 0.342 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCS1(=O)=O ZINC000152111448 415965663 /nfs/dbraw/zinc/96/56/63/415965663.db2.gz PSNJCZKRWARAKN-ZANVPECISA-N 0 0 313.350 0.775 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cnn1-c1ccccc1 ZINC000153275334 415978716 /nfs/dbraw/zinc/97/87/16/415978716.db2.gz HPOAYSJCCYWXDV-CYBMUJFWSA-N 0 0 312.329 0.716 10 0 DCAERN Cc1nc(C(=O)N2CCC(n3cncn3)CC2)c(=O)[nH]c1C ZINC000155224781 415993954 /nfs/dbraw/zinc/99/39/54/415993954.db2.gz VMGCCHVJLHAFCH-UHFFFAOYSA-N 0 0 302.338 0.456 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000155195614 415994998 /nfs/dbraw/zinc/99/49/98/415994998.db2.gz SJYUJLFOLNLVCC-UONOGXRCSA-N 0 0 317.389 0.885 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCn1cc(C)cn1 ZINC000155316142 415997246 /nfs/dbraw/zinc/99/72/46/415997246.db2.gz VQLIEDNJLHZISZ-GFCCVEGCSA-N 0 0 318.381 0.971 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132553301 415934023 /nfs/dbraw/zinc/93/40/23/415934023.db2.gz SPYURWHFPUUJSO-YNEHKIRRSA-N 0 0 309.410 0.938 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCCCOCC(F)(F)F ZINC000172510249 416045285 /nfs/dbraw/zinc/04/52/85/416045285.db2.gz WQNBECUIIBYOIF-UHFFFAOYSA-N 0 0 319.283 0.897 10 0 DCAERN CCn1nc(C)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1C ZINC000172813846 416046926 /nfs/dbraw/zinc/04/69/26/416046926.db2.gz GHCDVIILIDUWLX-UHFFFAOYSA-N 0 0 307.354 0.789 10 0 DCAERN CC(C)COCCCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000172989907 416051155 /nfs/dbraw/zinc/05/11/55/416051155.db2.gz GFSWLURGPSTLJB-CHWSQXEVSA-N 0 0 308.444 0.993 10 0 DCAERN C[C@H](Cc1ccccc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084429 416052416 /nfs/dbraw/zinc/05/24/16/416052416.db2.gz KGFLTAPVWYJJDM-LLVKDONJSA-N 0 0 301.346 0.901 10 0 DCAERN Cn1cc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c(=O)n(C)c1=O ZINC000173085089 416053106 /nfs/dbraw/zinc/05/31/06/416053106.db2.gz JCELTZBHJGPSRO-GFCCVEGCSA-N 0 0 319.292 0.165 10 0 DCAERN CC(=O)N1CCN(CCn2nc3ccccn3c2=O)[C@H](C)C1 ZINC000357295990 416059109 /nfs/dbraw/zinc/05/91/09/416059109.db2.gz DHQNKIFMAJAIMG-GFCCVEGCSA-N 0 0 303.366 0.049 10 0 DCAERN COC(=O)C1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173496901 416060687 /nfs/dbraw/zinc/06/06/87/416060687.db2.gz CCXNREWBGQDDMN-CYBMUJFWSA-N 0 0 320.393 0.719 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CN3CCCCC3=O)CCO2)[nH]1 ZINC000173520907 416060973 /nfs/dbraw/zinc/06/09/73/416060973.db2.gz CNQDTYGTUOEYPG-LLVKDONJSA-N 0 0 307.354 0.026 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000173659552 416061963 /nfs/dbraw/zinc/06/19/63/416061963.db2.gz JWRZLYLEGXWIKI-UHFFFAOYSA-N 0 0 316.427 0.769 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)[nH]1 ZINC000173733462 416064497 /nfs/dbraw/zinc/06/44/97/416064497.db2.gz MTFAZDOQGWIHLE-LBPRGKRZSA-N 0 0 308.363 0.875 10 0 DCAERN CCCN1CCC[C@@H]1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000357340426 416064544 /nfs/dbraw/zinc/06/45/44/416064544.db2.gz ZPSIHBNTJHHMHX-GFCCVEGCSA-N 0 0 302.440 0.944 10 0 DCAERN O=C(NCCCn1ccnc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173780470 416065354 /nfs/dbraw/zinc/06/53/54/416065354.db2.gz VUEZCRLSMNFHQM-CQSZACIVSA-N 0 0 307.398 0.389 10 0 DCAERN COC[C@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)CCO1 ZINC000357431810 416080264 /nfs/dbraw/zinc/08/02/64/416080264.db2.gz CKUOTVLPTOUAJT-GXTWGEPZSA-N 0 0 306.362 0.679 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173892083 416067458 /nfs/dbraw/zinc/06/74/58/416067458.db2.gz WRXYQZHKGWBWNR-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173912979 416068576 /nfs/dbraw/zinc/06/85/76/416068576.db2.gz XDLVGLOORGXBPN-KGLIPLIRSA-N 0 0 313.442 0.900 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000173976210 416070698 /nfs/dbraw/zinc/07/06/98/416070698.db2.gz BKCPCIDCJQXUJY-NEPJUHHUSA-N 0 0 312.414 0.506 10 0 DCAERN Cn1c(CN2CCC[C@@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015890 416072579 /nfs/dbraw/zinc/07/25/79/416072579.db2.gz ZDZLKQSNYNJGKB-CQSZACIVSA-N 0 0 305.426 0.989 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)C(C)C ZINC000158859191 416003543 /nfs/dbraw/zinc/00/35/43/416003543.db2.gz GZXAFVBVZQPGPW-QMMMGPOBSA-N 0 0 307.393 0.830 10 0 DCAERN O=C(COC[C@@H]1CCOC1)NC[C@]1(O)CCc2ccccc21 ZINC000159014346 416005021 /nfs/dbraw/zinc/00/50/21/416005021.db2.gz FHROJYUXYYMZMC-CXAGYDPISA-N 0 0 305.374 0.990 10 0 DCAERN COc1c(C(=O)NC[C@@H](C)N2CCCCC2=O)c(C)nn1C ZINC000357002605 416019522 /nfs/dbraw/zinc/01/95/22/416019522.db2.gz PEGGUEFCQXFMFR-SNVBAGLBSA-N 0 0 308.382 0.868 10 0 DCAERN O=C(NCCCN1CCCC1=O)[C@H]1COc2ccccc2O1 ZINC000170570625 416027450 /nfs/dbraw/zinc/02/74/50/416027450.db2.gz WHWPOLDEFNIHMR-CQSZACIVSA-N 0 0 304.346 0.955 10 0 DCAERN O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCOC1 ZINC000171700321 416039905 /nfs/dbraw/zinc/03/99/05/416039905.db2.gz KSWZOJVCVIRKFH-NSHDSACASA-N 0 0 302.330 0.968 10 0 DCAERN COc1ccccc1CN1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174575847 416081995 /nfs/dbraw/zinc/08/19/95/416081995.db2.gz XGPJMQMPHUJCGI-UHFFFAOYSA-N 0 0 319.405 0.818 10 0 DCAERN CNC(=O)c1cccnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000301545924 416086087 /nfs/dbraw/zinc/08/60/87/416086087.db2.gz DOIMHHNFYVEICJ-OCCSQVGLSA-N 0 0 304.394 0.598 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCc3ccnn3C)C2)cn1 ZINC000174932389 416090919 /nfs/dbraw/zinc/09/09/19/416090919.db2.gz VHTKIFUWBLTDRQ-GFCCVEGCSA-N 0 0 317.397 0.622 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](COC)C1)CC2 ZINC000174961289 416092608 /nfs/dbraw/zinc/09/26/08/416092608.db2.gz PKQINBPTPXUXAK-NEPJUHHUSA-N 0 0 323.397 0.212 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccnc1 ZINC000174971659 416092933 /nfs/dbraw/zinc/09/29/33/416092933.db2.gz RWWKXWRQNUAWGR-RISCZKNCSA-N 0 0 313.361 0.840 10 0 DCAERN Cc1cnc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000175293983 416102794 /nfs/dbraw/zinc/10/27/94/416102794.db2.gz HXAILMLCQNNBIN-CYBMUJFWSA-N 0 0 306.366 0.398 10 0 DCAERN O=C(NCCN1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000175601033 416110603 /nfs/dbraw/zinc/11/06/03/416110603.db2.gz ULPSJMOUESJHLZ-CQSZACIVSA-N 0 0 307.398 0.389 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000175839237 416114482 /nfs/dbraw/zinc/11/44/82/416114482.db2.gz TXDBXROCASRAPI-CQSZACIVSA-N 0 0 319.405 0.978 10 0 DCAERN CCc1nnc2ccc(N3CCO[C@H](c4nnc(C)[nH]4)C3)nn21 ZINC000175777918 416115345 /nfs/dbraw/zinc/11/53/45/416115345.db2.gz ASSGAPMHCWPVIR-JTQLQIEISA-N 0 0 314.353 0.691 10 0 DCAERN O=C(CCCNC(=O)N1CC[C@](O)(C(F)(F)F)C1)NC1CC1 ZINC000175958049 416115941 /nfs/dbraw/zinc/11/59/41/416115941.db2.gz POVUVXSVCRRVOP-GFCCVEGCSA-N 0 0 323.315 0.754 10 0 DCAERN COC[C@H](CO)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000357710344 416119700 /nfs/dbraw/zinc/11/97/00/416119700.db2.gz RXXXARDEMYXONA-YOEHRIQHSA-N 0 0 320.389 0.805 10 0 DCAERN CCN1CCN(C(=O)CN2CCCC2=O)C[C@@H]1c1nccn1C ZINC000328616090 416123620 /nfs/dbraw/zinc/12/36/20/416123620.db2.gz BJBSZBIKTRECKT-CYBMUJFWSA-N 0 0 319.409 0.248 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)C(=O)N(C)C ZINC000176327743 416124680 /nfs/dbraw/zinc/12/46/80/416124680.db2.gz ZDSYDPZVMPDBCM-NXEZZACHSA-N 0 0 308.386 0.451 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCc2nc(C)no2)[C@H](C)C1 ZINC000357744090 416125332 /nfs/dbraw/zinc/12/53/32/416125332.db2.gz KDFSMIHWWDTARV-SNVBAGLBSA-N 0 0 309.370 0.573 10 0 DCAERN Cc1cccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1O ZINC000176487828 416127872 /nfs/dbraw/zinc/12/78/72/416127872.db2.gz XPAIBZSBKYIQNR-INIZCTEOSA-N 0 0 308.378 0.514 10 0 DCAERN COC[C@H]1CN(C(=O)CNC(=O)c2ccc(C)c(C)c2)CCO1 ZINC000176636420 416130860 /nfs/dbraw/zinc/13/08/60/416130860.db2.gz IRTITEHUQARIBY-OAHLLOKOSA-N 0 0 320.389 0.907 10 0 DCAERN OC[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)C1CC1 ZINC000357789483 416131619 /nfs/dbraw/zinc/13/16/19/416131619.db2.gz XIDSPERBYVGCSS-QMMMGPOBSA-N 0 0 301.272 1.574 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000176793159 416134305 /nfs/dbraw/zinc/13/43/05/416134305.db2.gz VECGQGYAVFABSX-VXGBXAGGSA-N 0 0 312.366 0.548 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000357819315 416136125 /nfs/dbraw/zinc/13/61/25/416136125.db2.gz WBQLDPHXCPQXJT-ZLDLUXBVSA-N 0 0 320.393 0.577 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC(OCCCOC)C2)C1 ZINC000176917295 416138739 /nfs/dbraw/zinc/13/87/39/416138739.db2.gz SJUJHMKREPWDIF-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)c4cccn43)C[C@H]21 ZINC000328915665 416139472 /nfs/dbraw/zinc/13/94/72/416139472.db2.gz QWPWNTBBCHIAFD-SQWLQELKSA-N 0 0 317.389 0.937 10 0 DCAERN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1N1CCOCC1 ZINC000177267440 416143517 /nfs/dbraw/zinc/14/35/17/416143517.db2.gz CGVJJUDUZYUURO-OCCSQVGLSA-N 0 0 317.393 0.175 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)on1 ZINC000329105086 416150087 /nfs/dbraw/zinc/15/00/87/416150087.db2.gz OHIFESPEYNNMPA-LLVKDONJSA-N 0 0 312.333 1.352 10 0 DCAERN COc1ccc([C@H](CC(=O)N2CC[C@@H](O)C2)NC(C)=O)cc1 ZINC000174586442 416080674 /nfs/dbraw/zinc/08/06/74/416080674.db2.gz HGNJLIQYAUTACH-HIFRSBDPSA-N 0 0 306.362 0.856 10 0 DCAERN O=C(CCOc1ccc(F)cc1)NC[C@@H]1CN2CCN1CC2 ZINC000178660144 416168402 /nfs/dbraw/zinc/16/84/02/416168402.db2.gz LJMMCKGAFHMXNW-CQSZACIVSA-N 0 0 307.369 0.711 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000178634255 416168418 /nfs/dbraw/zinc/16/84/18/416168418.db2.gz GJYUJRIIBIDVOG-LBPRGKRZSA-N 0 0 308.382 0.947 10 0 DCAERN Cc1nc(C(=O)NC[C@](C)(O)CN2CCOCC2)c(C)s1 ZINC000178797641 416172686 /nfs/dbraw/zinc/17/26/86/416172686.db2.gz IAKBMFQOCNEQDO-AWEZNQCLSA-N 0 0 313.423 0.573 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000179145277 416182062 /nfs/dbraw/zinc/18/20/62/416182062.db2.gz RVVJBKKXRHPLDA-LBPRGKRZSA-N 0 0 303.366 0.140 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000179126492 416182440 /nfs/dbraw/zinc/18/24/40/416182440.db2.gz VEVNIXZYIJQNNS-GFCCVEGCSA-N 0 0 305.382 0.364 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)C1 ZINC000179592016 416191029 /nfs/dbraw/zinc/19/10/29/416191029.db2.gz BEDDMHPGXYNFBW-JTQLQIEISA-N 0 0 316.365 0.042 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000179694992 416192244 /nfs/dbraw/zinc/19/22/44/416192244.db2.gz MDPZGTVOUGWHOD-JSGCOSHPSA-N 0 0 311.403 0.974 10 0 DCAERN CC[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000358109162 416194129 /nfs/dbraw/zinc/19/41/29/416194129.db2.gz IOOWSZRTRADAKR-LLVKDONJSA-N 0 0 315.395 0.877 10 0 DCAERN Cn1nncc1CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000358117708 416195440 /nfs/dbraw/zinc/19/54/40/416195440.db2.gz GYWQXWDYSJVJEA-UHFFFAOYSA-N 0 0 315.333 0.395 10 0 DCAERN Cn1ccnc1CC1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000180479958 416197504 /nfs/dbraw/zinc/19/75/04/416197504.db2.gz PTADWLZLYPFSQI-UHFFFAOYSA-N 0 0 323.397 0.870 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)[C@H](C)OC ZINC000358129745 416197686 /nfs/dbraw/zinc/19/76/86/416197686.db2.gz UFAGWZOZRIZOOJ-RCWTZXSCSA-N 0 0 317.386 0.165 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3n[nH]cc32)O1 ZINC000180694087 416200078 /nfs/dbraw/zinc/20/00/78/416200078.db2.gz UPYQVEGPGDTMDF-GYSYKLTISA-N 0 0 320.393 0.582 10 0 DCAERN COCCCOCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000181043553 416202276 /nfs/dbraw/zinc/20/22/76/416202276.db2.gz GAPQISIMBKTTID-CYBMUJFWSA-N 0 0 310.398 0.558 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)/C=C/c2ccnn2C)cn1 ZINC000181400047 416206096 /nfs/dbraw/zinc/20/60/96/416206096.db2.gz SDMMZXPIUVMVCJ-XGACYXMMSA-N 0 0 300.366 0.340 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181391701 416206802 /nfs/dbraw/zinc/20/68/02/416206802.db2.gz LBRYYXWPVDUTBC-WDEREUQCSA-N 0 0 309.395 0.780 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CCOCC(F)(F)F)cn1 ZINC000181363550 416206897 /nfs/dbraw/zinc/20/68/97/416206897.db2.gz SEEQHLOBSUVTCU-NSHDSACASA-N 0 0 320.315 0.862 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCCCOCCO ZINC000181687039 416209699 /nfs/dbraw/zinc/20/96/99/416209699.db2.gz VQUYITBFEKOWGV-UHFFFAOYSA-N 0 0 312.414 0.668 10 0 DCAERN Cn1cc(CNC(=O)NCCCOCCO)c(C(F)(F)F)n1 ZINC000181669211 416210326 /nfs/dbraw/zinc/21/03/26/416210326.db2.gz DOVBXXNYDDVRLG-UHFFFAOYSA-N 0 0 324.303 0.637 10 0 DCAERN COc1cccc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000181538219 416210592 /nfs/dbraw/zinc/21/05/92/416210592.db2.gz IIKNGAPYMROTCZ-NSHDSACASA-N 0 0 318.377 0.900 10 0 DCAERN O=C(CNC(=O)N1CCN(CC(F)(F)F)CC1)NCC1CC1 ZINC000182030429 416213350 /nfs/dbraw/zinc/21/33/50/416213350.db2.gz IJFGKGJCRHBEAY-UHFFFAOYSA-N 0 0 322.331 0.402 10 0 DCAERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000182170413 416215219 /nfs/dbraw/zinc/21/52/19/416215219.db2.gz KMYARBRENVYJGP-DLOVCJGASA-N 0 0 302.334 0.589 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2-n2cncn2)[C@@H](C)CO1 ZINC000182323123 416219936 /nfs/dbraw/zinc/21/99/36/416219936.db2.gz UVZBMFZXYBMQLK-NWDGAFQWSA-N 0 0 316.365 0.981 10 0 DCAERN Cc1nc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)no1 ZINC000182409296 416220824 /nfs/dbraw/zinc/22/08/24/416220824.db2.gz OOGUWEOGKMYEJE-LLVKDONJSA-N 0 0 301.306 0.698 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182541890 416225894 /nfs/dbraw/zinc/22/58/94/416225894.db2.gz UQXGVEXGJHNWGA-ZIAGYGMSSA-N 0 0 320.393 0.893 10 0 DCAERN O=C(CCn1cnc2ccccc2c1=O)NC[C@@H](CO)C1CC1 ZINC000358357324 416228110 /nfs/dbraw/zinc/22/81/10/416228110.db2.gz RPTPTTZGFKILAQ-ZDUSSCGKSA-N 0 0 315.373 0.921 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)C[S@@](C)=O)no2)c1 ZINC000182775666 416230853 /nfs/dbraw/zinc/23/08/53/416230853.db2.gz KUHHEUDUAKMZQN-CHNSCGDPSA-N 0 0 310.379 0.725 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)Cc2cccc(F)c2)C1 ZINC000178132640 416157621 /nfs/dbraw/zinc/15/76/21/416157621.db2.gz WMFLDZCUKREILE-UHFFFAOYSA-N 0 0 321.352 0.079 10 0 DCAERN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCc3cncnc3C1)CS2 ZINC000329232324 416157960 /nfs/dbraw/zinc/15/79/60/416157960.db2.gz FWPHPMYMMACKAE-SWLSCSKDSA-N 0 0 318.402 0.815 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000183333988 416240815 /nfs/dbraw/zinc/24/08/15/416240815.db2.gz WIQBXJHORCCVMF-UHFFFAOYSA-N 0 0 316.317 0.819 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCCn2cc(C)cn2)c1 ZINC000183627281 416247329 /nfs/dbraw/zinc/24/73/29/416247329.db2.gz VXZQGDWJDPSPMK-UHFFFAOYSA-N 0 0 316.361 0.746 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(CCO)C2CCCCC2)cn1 ZINC000183635429 416247867 /nfs/dbraw/zinc/24/78/67/416247867.db2.gz OGINASHRLHRITP-UHFFFAOYSA-N 0 0 323.397 0.788 10 0 DCAERN COCCN1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@@H]1C ZINC000183675507 416248237 /nfs/dbraw/zinc/24/82/37/416248237.db2.gz ZLAFHFSHPCQUDF-NSHDSACASA-N 0 0 310.350 0.859 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000184690607 416252435 /nfs/dbraw/zinc/25/24/35/416252435.db2.gz MQJOZLLYSQLJQN-NEPJUHHUSA-N 0 0 318.439 0.430 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188809132 416264622 /nfs/dbraw/zinc/26/46/22/416264622.db2.gz GEVYPRRIOMMKST-ZIAGYGMSSA-N 0 0 311.426 0.303 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC(F)F)n1 ZINC000331115636 416268292 /nfs/dbraw/zinc/26/82/92/416268292.db2.gz LSBWAMLBAYBMFX-QMMMGPOBSA-N 0 0 304.322 1.008 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1=O ZINC000189759958 416270159 /nfs/dbraw/zinc/27/01/59/416270159.db2.gz CPIYRVLJECXRHZ-ZDUSSCGKSA-N 0 0 302.330 0.459 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000189703801 416270606 /nfs/dbraw/zinc/27/06/06/416270606.db2.gz MDWPYDUSOFUHOO-UONOGXRCSA-N 0 0 322.405 0.471 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000189820737 416271885 /nfs/dbraw/zinc/27/18/85/416271885.db2.gz VCTIDENVKWAEAQ-LBPRGKRZSA-N 0 0 319.336 0.942 10 0 DCAERN Cn1cc([C@H]2OCC[C@@H]2NC(=O)NCCCn2cccn2)cn1 ZINC000190038024 416273193 /nfs/dbraw/zinc/27/31/93/416273193.db2.gz KLOVVZFQSYYSLQ-UONOGXRCSA-N 0 0 318.381 0.836 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCC1=O ZINC000190035069 416274309 /nfs/dbraw/zinc/27/43/09/416274309.db2.gz GLOZSIDIIDGOHF-MWLCHTKSSA-N 0 0 304.412 0.436 10 0 DCAERN Cn1cccc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)O2)c1=O ZINC000190119376 416275051 /nfs/dbraw/zinc/27/50/51/416275051.db2.gz DCHRWGNYYOMGPI-SNVBAGLBSA-N 0 0 307.350 0.398 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000190229010 416275094 /nfs/dbraw/zinc/27/50/94/416275094.db2.gz PSNJXFKQXHAEKS-LBPRGKRZSA-N 0 0 324.340 0.824 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000190136051 416275229 /nfs/dbraw/zinc/27/52/29/416275229.db2.gz ZAEDCWLUERJTHD-NSHDSACASA-N 0 0 321.377 0.706 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)NCc1cccnc1-n1cncn1 ZINC000190188442 416275577 /nfs/dbraw/zinc/27/55/77/416275577.db2.gz LWTJHLQTVAHTOT-NWDGAFQWSA-N 0 0 316.365 0.621 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793565 416235138 /nfs/dbraw/zinc/23/51/38/416235138.db2.gz SSJBFFYXIHRKCQ-KQQSKNTNSA-N 0 0 303.406 0.818 10 0 DCAERN COCCN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)OC ZINC000358445062 416238506 /nfs/dbraw/zinc/23/85/06/416238506.db2.gz NYTODUXEPKIYLX-UHFFFAOYSA-N 0 0 324.333 0.475 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](CO)C1CC1)CC2 ZINC000358817903 416277703 /nfs/dbraw/zinc/27/77/03/416277703.db2.gz GNUFTNQNLDBLNE-NEPJUHHUSA-N 0 0 323.397 0.057 10 0 DCAERN CC1=C(C(=O)N[C@@H]2CCCC[C@@H]2O)[C@@H](C)n2ncnc2N1C ZINC000192235444 416302835 /nfs/dbraw/zinc/30/28/35/416302835.db2.gz QKUABZAOVPMTNQ-UTUOFQBUSA-N 0 0 305.382 0.983 10 0 DCAERN Cc1noc(CCNC(=O)c2cc(Br)nn2C)n1 ZINC000192241639 416304297 /nfs/dbraw/zinc/30/42/97/416304297.db2.gz QOGRWCRHRJIOIN-UHFFFAOYSA-N 0 0 314.143 0.847 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccn(C)c1C ZINC000192573730 416308492 /nfs/dbraw/zinc/30/84/92/416308492.db2.gz PFYKFHPZIGBQRR-ZDUSSCGKSA-N 0 0 323.393 0.767 10 0 DCAERN CNC(=O)[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000192735078 416309761 /nfs/dbraw/zinc/30/97/61/416309761.db2.gz ZARLALLJLYMVHM-ZDUSSCGKSA-N 0 0 316.398 0.960 10 0 DCAERN CCN(CC(F)F)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000194076646 416322472 /nfs/dbraw/zinc/32/24/72/416322472.db2.gz SULGTLJJZDHZFJ-UHFFFAOYSA-N 0 0 322.399 0.185 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3C(=O)NCC[C@H]3C)cnc12 ZINC000194340628 416322547 /nfs/dbraw/zinc/32/25/47/416322547.db2.gz BUSBFTNVRXQVFN-SKDRFNHKSA-N 0 0 314.345 0.257 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193203120 416314929 /nfs/dbraw/zinc/31/49/29/416314929.db2.gz YDKGMMFTZNUVSP-UHFFFAOYSA-N 0 0 316.361 0.995 10 0 DCAERN COC[C@@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000193350076 416315718 /nfs/dbraw/zinc/31/57/18/416315718.db2.gz NDNCEGSDGPBXJD-LLVKDONJSA-N 0 0 304.354 0.839 10 0 DCAERN CCc1nc(CNC(=O)N(C[C@H](C)O)[C@@H](C)CO)cs1 ZINC000190527005 416279946 /nfs/dbraw/zinc/27/99/46/416279946.db2.gz PHVDNRFWFKBXLF-UWVGGRQHSA-N 0 0 301.412 0.979 10 0 DCAERN COC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000190426387 416280224 /nfs/dbraw/zinc/28/02/24/416280224.db2.gz ZCZHABDWGRKEPT-GHMZBOCLSA-N 0 0 317.345 0.799 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)C[C@@H](CO)O1 ZINC000191865504 416292206 /nfs/dbraw/zinc/29/22/06/416292206.db2.gz AVIUUVJIJQAASW-WOPDTQHZSA-N 0 0 311.407 0.720 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000192021594 416296558 /nfs/dbraw/zinc/29/65/58/416296558.db2.gz DHSNEQNTPOAMQH-ZYHUDNBSSA-N 0 0 300.380 0.116 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1Cc1nsc(N(C)C)n1 ZINC000192088170 416298188 /nfs/dbraw/zinc/29/81/88/416298188.db2.gz DTYFHYFYPHESCK-SECBINFHSA-N 0 0 304.441 0.613 10 0 DCAERN CCCCCCNC(=O)CN1C[C@H](OC)C[C@H]1C(=O)OC ZINC000247560337 416332934 /nfs/dbraw/zinc/33/29/34/416332934.db2.gz UQLFXFRHWOYBBH-OLZOCXBDSA-N 0 0 300.399 0.945 10 0 DCAERN C[C@H](C(=O)N1CCCc2ccccc21)N1C[C@@H](O)C[C@@H]1CO ZINC000249293253 416334174 /nfs/dbraw/zinc/33/41/74/416334174.db2.gz LLEZHNYBBCAGOJ-YUELXQCFSA-N 0 0 304.390 0.782 10 0 DCAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)NCC(=O)N(C)C ZINC000249258656 416334187 /nfs/dbraw/zinc/33/41/87/416334187.db2.gz HBWQDBBRHMMWJX-AGIUHOORSA-N 0 0 311.426 0.768 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C[C@@H](O)C[C@@H]1CO ZINC000249283991 416334195 /nfs/dbraw/zinc/33/41/95/416334195.db2.gz HMJXMNPOZDSYFL-GUIRCDHDSA-N 0 0 320.389 0.442 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1c[nH]cn1 ZINC000261743344 416335688 /nfs/dbraw/zinc/33/56/88/416335688.db2.gz PKABDFCBYLPGFQ-GFCCVEGCSA-N 0 0 322.390 0.754 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)NCCc1nc(C)no1)CC2 ZINC000265123320 416340170 /nfs/dbraw/zinc/34/01/70/416340170.db2.gz WAIQVBYXYZJZOG-NSHDSACASA-N 0 0 322.365 0.905 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](O)C2)c1 ZINC000359379661 416344482 /nfs/dbraw/zinc/34/44/82/416344482.db2.gz BECHRENZAWLSDU-QMTHXVAHSA-N 0 0 319.361 0.447 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCNC[C@](C)(F)C2)cc1 ZINC000415796279 416354115 /nfs/dbraw/zinc/35/41/15/416354115.db2.gz ZKVAYPSACUFRBP-INIZCTEOSA-N 0 0 321.352 0.988 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCNC[C@@](C)(F)C2)cc1 ZINC000415796281 416354383 /nfs/dbraw/zinc/35/43/83/416354383.db2.gz ZKVAYPSACUFRBP-MRXNPFEDSA-N 0 0 321.352 0.988 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194404257 416322840 /nfs/dbraw/zinc/32/28/40/416322840.db2.gz MITPONQYOJKSKO-NSHDSACASA-N 0 0 304.412 0.327 10 0 DCAERN O=C(NCCNC(=O)[C@H]1COCCN1)c1ccc(Cl)cc1 ZINC000237727151 416328626 /nfs/dbraw/zinc/32/86/26/416328626.db2.gz NXWYTADTJUIJJE-GFCCVEGCSA-N 0 0 311.769 0.174 10 0 DCAERN Cc1ccc(CS(=O)(=O)N(C)Cc2nnnn2C)c(F)c1 ZINC000360070699 416369342 /nfs/dbraw/zinc/36/93/42/416369342.db2.gz GTOMQKHECAMMFD-UHFFFAOYSA-N 0 0 313.358 0.619 10 0 DCAERN C[C@H](C(=O)NC[C@H](CO)C1CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000359819832 416361058 /nfs/dbraw/zinc/36/10/58/416361058.db2.gz IYMYNIBCEFEKGL-ZRJCITRHSA-N 0 0 322.405 0.685 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@](C)(OC)C1CC1 ZINC000360464116 416391203 /nfs/dbraw/zinc/39/12/03/416391203.db2.gz BJQXWWLRSISZJP-HFBDOXOYSA-N 0 0 314.382 0.374 10 0 DCAERN CN1CN(CCCCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000360468420 416391784 /nfs/dbraw/zinc/39/17/84/416391784.db2.gz MKVWDXUPIXZWEC-UHFFFAOYSA-N 0 0 301.346 0.794 10 0 DCAERN CCOc1ccc(CN(C)C(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360467560 416391942 /nfs/dbraw/zinc/39/19/42/416391942.db2.gz KDCSNIABYRTSQU-UHFFFAOYSA-N 0 0 305.378 0.775 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(=O)N(C)C1 ZINC000360491176 416393450 /nfs/dbraw/zinc/39/34/50/416393450.db2.gz PTRWYJSMKNVZLG-CQSZACIVSA-N 0 0 303.362 0.034 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)c1cc(OC)c(OC)cc1C ZINC000360590744 416398212 /nfs/dbraw/zinc/39/82/12/416398212.db2.gz HIWXJBBLJLSQMG-LLVKDONJSA-N 0 0 311.334 0.666 10 0 DCAERN O=C(CNC(=O)NCc1ccc2cc[nH]c2n1)NCC(F)F ZINC000360701038 416404904 /nfs/dbraw/zinc/40/49/04/416404904.db2.gz OVIBJVSTWGMJMV-UHFFFAOYSA-N 0 0 311.292 0.743 10 0 DCAERN COc1ncncc1NC(=O)C(=O)NCCc1ccccc1O ZINC000360762598 416408559 /nfs/dbraw/zinc/40/85/59/416408559.db2.gz JVSIXOIMLIASFF-UHFFFAOYSA-N 0 0 316.317 0.488 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@@H](O)Cn2ccnn2)C12CCC2 ZINC000458452063 416471324 /nfs/dbraw/zinc/47/13/24/416471324.db2.gz WQOZFVVXPKNADP-FRRDWIJNSA-N 0 0 323.397 0.286 10 0 DCAERN CCc1nnc(CNC(=O)NCCc2cccc(OC)n2)[nH]1 ZINC000458501074 416474942 /nfs/dbraw/zinc/47/49/42/416474942.db2.gz DBFCDTQRDYTSAD-UHFFFAOYSA-N 0 0 304.354 0.813 10 0 DCAERN CC(C)(C)CCS(=O)(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583616335 416478049 /nfs/dbraw/zinc/47/80/49/416478049.db2.gz HLWQELJFDXVGSE-CYBMUJFWSA-N 0 0 316.427 0.854 10 0 DCAERN O=C(CN1CC[C@](O)(c2cn[nH]n2)C1)N(C1CC1)C1CCCC1 ZINC000583618095 416479153 /nfs/dbraw/zinc/47/91/53/416479153.db2.gz CJVRKPZKQIANIP-MRXNPFEDSA-N 0 0 319.409 0.632 10 0 DCAERN C[C@@H](O)C[C@H](C)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361703277 416479703 /nfs/dbraw/zinc/47/97/03/416479703.db2.gz QOLRZTGAXKJIOI-QWHCGFSZSA-N 0 0 322.409 0.877 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)OC)C2)nc1 ZINC000361171549 416424268 /nfs/dbraw/zinc/42/42/68/416424268.db2.gz NNNFLRXCWGMZJC-JTQLQIEISA-N 0 0 313.379 0.379 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCC1=O ZINC000361194832 416425566 /nfs/dbraw/zinc/42/55/66/416425566.db2.gz DNLARWMDZLNSLU-SKDRFNHKSA-N 0 0 323.315 0.706 10 0 DCAERN COc1nc(C)cc(N[C@@H]2CCCN(c3ccnn3C)C2=O)n1 ZINC000582640625 416455484 /nfs/dbraw/zinc/45/54/84/416455484.db2.gz HTVOTHQCQSHIIV-LLVKDONJSA-N 0 0 316.365 1.135 10 0 DCAERN O=C1[C@@H](Nc2noc(-c3ccccc3)n2)CCCN1CCO ZINC000583215404 416460016 /nfs/dbraw/zinc/46/00/16/416460016.db2.gz HKJNTBHESHSMQM-LBPRGKRZSA-N 0 0 302.334 1.132 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000532845296 416460149 /nfs/dbraw/zinc/46/01/49/416460149.db2.gz QRZPHYOFOZOJOI-CYZMBNFOSA-N 0 0 320.397 0.699 10 0 DCAERN C[C@@H](CNC(=O)Cn1cc(-c2ccccc2)nn1)S(C)(=O)=O ZINC000532824312 416460652 /nfs/dbraw/zinc/46/06/52/416460652.db2.gz XFQLZIVUVWLZFL-NSHDSACASA-N 0 0 322.390 0.494 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)CSC[C@@H]2CCCCO2)C1 ZINC000535713091 416525566 /nfs/dbraw/zinc/52/55/66/416525566.db2.gz DIBZEKPXBBUIGY-QWRGUYRKSA-N 0 0 301.412 0.558 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(CC)C[C@H](C)OC)C1 ZINC000362096385 416562006 /nfs/dbraw/zinc/56/20/06/416562006.db2.gz BPGFXYFTBXVRBB-RYUDHWBXSA-N 0 0 300.403 0.857 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)[nH]1 ZINC000537469525 416555457 /nfs/dbraw/zinc/55/54/57/416555457.db2.gz UNCPFMXXLJVVAV-UHFFFAOYSA-N 0 0 316.365 0.480 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCOCC1CC1 ZINC000436388717 416555620 /nfs/dbraw/zinc/55/56/20/416555620.db2.gz MUZYVRQKWKQZSG-MRXNPFEDSA-N 0 0 308.378 0.532 10 0 DCAERN CO[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000361779181 416494366 /nfs/dbraw/zinc/49/43/66/416494366.db2.gz JPXBJTPDJHVSRJ-OLZOCXBDSA-N 0 0 311.382 0.197 10 0 DCAERN CO[C@](C)(CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1)C1CC1 ZINC000361821487 416503017 /nfs/dbraw/zinc/50/30/17/416503017.db2.gz RQZLZZZRJMIMOX-OAHLLOKOSA-N 0 0 323.397 0.903 10 0 DCAERN CCOC(=O)c1[nH]c(C)nc1NC(=O)C(=O)c1cnn(CC)c1 ZINC000534736770 416506217 /nfs/dbraw/zinc/50/62/17/416506217.db2.gz YQUXBOSGLLKGNN-UHFFFAOYSA-N 0 0 319.321 0.933 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)C1 ZINC000535000701 416510451 /nfs/dbraw/zinc/51/04/51/416510451.db2.gz OEWNSOCPWNAXII-LBPRGKRZSA-N 0 0 323.324 0.504 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCOCC[C@H]2C)n1 ZINC000364771189 416594136 /nfs/dbraw/zinc/59/41/36/416594136.db2.gz MWXQGFTXFGJZDI-VXGBXAGGSA-N 0 0 324.381 0.666 10 0 DCAERN COc1cc(NC(=O)Cn2nc3ccccn3c2=O)ccc1O ZINC000438126136 416594689 /nfs/dbraw/zinc/59/46/89/416594689.db2.gz YDOSBCXMQRPWJW-UHFFFAOYSA-N 0 0 314.301 0.849 10 0 DCAERN O=C(NC[C@H]1CCCCS1(=O)=O)c1cn2cccnc2n1 ZINC000541452401 416606481 /nfs/dbraw/zinc/60/64/81/416606481.db2.gz MJGIGMDEEBLAFA-SNVBAGLBSA-N 0 0 308.363 0.426 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)cc1O ZINC000436717550 416567950 /nfs/dbraw/zinc/56/79/50/416567950.db2.gz HKXBKSZGZJTTPS-IUCAKERBSA-N 0 0 324.333 0.284 10 0 DCAERN C[C@H](CNC(=O)CCOc1cccc(Cl)c1)S(N)(=O)=O ZINC000538830823 416573943 /nfs/dbraw/zinc/57/39/43/416573943.db2.gz SHJSRWLAWKNCSM-SECBINFHSA-N 0 0 320.798 0.902 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 ZINC000366076458 416614271 /nfs/dbraw/zinc/61/42/71/416614271.db2.gz HLJKBSFBEJTZQI-HWWQOWPSSA-N 0 0 308.378 0.704 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC=C(C)C1 ZINC000437861007 416588494 /nfs/dbraw/zinc/58/84/94/416588494.db2.gz IIAHRHVZTICFKS-NWDGAFQWSA-N 0 0 311.382 0.804 10 0 DCAERN Fc1cc(CN2CCN3CCOC[C@H]3C2)ccc1-n1cncn1 ZINC000542692105 416628008 /nfs/dbraw/zinc/62/80/08/416628008.db2.gz YPOXFOBLDIAMBP-CQSZACIVSA-N 0 0 317.368 0.923 10 0 DCAERN COC1(C)CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000440490714 416636664 /nfs/dbraw/zinc/63/66/64/416636664.db2.gz FZPLESBDZPEROQ-UHFFFAOYSA-N 0 0 318.377 0.868 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)CCn2cncn2)(C(=O)OC)C1(C)C ZINC000440846868 416650873 /nfs/dbraw/zinc/65/08/73/416650873.db2.gz UTZAYLXUINMLTJ-XHDPSFHLSA-N 0 0 324.381 0.531 10 0 DCAERN CCCN(C(=O)[C@H](C)N(C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440946985 416653790 /nfs/dbraw/zinc/65/37/90/416653790.db2.gz WWLGJWYMZRKGRX-STQMWFEESA-N 0 0 320.455 0.115 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC(C(N)=O)CC2)n1 ZINC000441444221 416671149 /nfs/dbraw/zinc/67/11/49/416671149.db2.gz SUOILOQEJNLQFR-UHFFFAOYSA-N 0 0 306.366 0.540 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@@H](O)COCC2CC2)n1 ZINC000441442390 416672173 /nfs/dbraw/zinc/67/21/73/416672173.db2.gz BPXCKJVPUQEVPZ-CQSZACIVSA-N 0 0 323.393 0.719 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCOCC2(CC2)C1 ZINC000514757562 416674855 /nfs/dbraw/zinc/67/48/55/416674855.db2.gz WGQBLPIQOWHREE-ZDUSSCGKSA-N 0 0 322.405 0.843 10 0 DCAERN CN(C[C@H]1CNC(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751357 416688502 /nfs/dbraw/zinc/68/85/02/416688502.db2.gz SJTPXKDYSFUSPJ-NVXWUHKLSA-N 0 0 319.405 0.664 10 0 DCAERN COC[C@](C)(O)CNC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000515027877 416688974 /nfs/dbraw/zinc/68/89/74/416688974.db2.gz FSIXRJFCBJJDKI-BLLLJJGKSA-N 0 0 324.377 0.913 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@H](CO)CN2CCOCC2)cs1 ZINC000425298630 416692642 /nfs/dbraw/zinc/69/26/42/416692642.db2.gz XETMCFPEUWMRBE-LBPRGKRZSA-N 0 0 312.391 0.374 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000369030129 416718003 /nfs/dbraw/zinc/71/80/03/416718003.db2.gz UWDSJLAJIMKUKB-QJPTWQEYSA-N 0 0 302.371 0.631 10 0 DCAERN CCN(C(=O)[C@H](C)NC(=O)c1ccccc1)[C@H]1CCNC1=O ZINC000443041741 416727837 /nfs/dbraw/zinc/72/78/37/416727837.db2.gz XYSJMJOJQJOOLJ-AAEUAGOBSA-N 0 0 303.362 0.542 10 0 DCAERN CNC(=O)C[S@@](=O)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000443061977 416729361 /nfs/dbraw/zinc/72/93/61/416729361.db2.gz SVORPXWENNRAGI-NRFANRHFSA-N 0 0 309.347 0.740 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)CCO1 ZINC000517775387 416823708 /nfs/dbraw/zinc/82/37/08/416823708.db2.gz SNWQKIXKZRGPFE-SOUVJXGZSA-N 0 0 324.421 0.944 10 0 DCAERN O=C(NCCn1cncn1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000558895729 416797135 /nfs/dbraw/zinc/79/71/35/416797135.db2.gz OOBSVQLJRFWRDE-CHWSQXEVSA-N 0 0 323.397 0.145 10 0 DCAERN CCOCCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000370056800 416875688 /nfs/dbraw/zinc/87/56/88/416875688.db2.gz SKCCLXUNDMLRPZ-ZDUSSCGKSA-N 0 0 313.398 0.492 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000369895971 416844694 /nfs/dbraw/zinc/84/46/94/416844694.db2.gz BCTSOJJWGRWAHR-LBPRGKRZSA-N 0 0 319.361 0.177 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000615818612 416915461 /nfs/dbraw/zinc/91/54/61/416915461.db2.gz NJZDDSXNJGJTBO-YJNKXOJESA-N 0 0 324.421 0.755 10 0 DCAERN Cn1cc([C@H](NC(=O)N[C@@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000446308730 416921326 /nfs/dbraw/zinc/92/13/26/416921326.db2.gz ZBWYUJYUSPZRKM-SCZZXKLOSA-N 0 0 319.287 0.601 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)C(=O)Nc3ccnn3C)nc2c1 ZINC000446751884 416944521 /nfs/dbraw/zinc/94/45/21/416944521.db2.gz MWWNJXRLBHEUTD-UHFFFAOYSA-N 0 0 312.333 0.860 10 0 DCAERN CCO[C@@H](CC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)C(C)C ZINC000447756086 417023781 /nfs/dbraw/zinc/02/37/81/417023781.db2.gz VJLZCOCKGKPWAR-XHDPSFHLSA-N 0 0 311.382 0.638 10 0 DCAERN CCO[C@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)C(C)C ZINC000447756083 417024483 /nfs/dbraw/zinc/02/44/83/417024483.db2.gz VJLZCOCKGKPWAR-ABAIWWIYSA-N 0 0 311.382 0.638 10 0 DCAERN CC(=O)[C@H](C)CN1C(=O)N[C@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000447350725 416991149 /nfs/dbraw/zinc/99/11/49/416991149.db2.gz UJGBPCQYEOEOPV-JDNHERCYSA-N 0 0 317.345 0.778 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000521257531 417000458 /nfs/dbraw/zinc/00/04/58/417000458.db2.gz LAJWJUJLRCKSDV-TUAOUCFPSA-N 0 0 302.396 0.207 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)CCOC(C)(C)C)C1 ZINC000632293334 417006252 /nfs/dbraw/zinc/00/62/52/417006252.db2.gz BWPCYWWRVKSTMB-ZDUSSCGKSA-N 0 0 320.455 0.979 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnc(C)c1 ZINC000447569571 417009559 /nfs/dbraw/zinc/00/95/59/417009559.db2.gz CJRQSMYQNGVTGH-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN Brc1cncnc1N1CCN(c2nccnn2)CC1 ZINC000624443885 417039478 /nfs/dbraw/zinc/03/94/78/417039478.db2.gz ZHCHYDPFVKTZOE-UHFFFAOYSA-N 0 0 322.170 0.751 10 0 DCAERN c1cn(-c2cc(N3CCN(c4nccnn4)CC3)ncn2)cn1 ZINC000624443545 417039626 /nfs/dbraw/zinc/03/96/26/417039626.db2.gz GRDPHLOSCHCMPV-UHFFFAOYSA-N 0 0 309.337 0.174 10 0 DCAERN CN(CCNC(=O)c1cn2cccnc2n1)CC(F)(F)F ZINC000522116993 417051021 /nfs/dbraw/zinc/05/10/21/417051021.db2.gz FMWBEXBKGDAERJ-UHFFFAOYSA-N 0 0 301.272 0.953 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000624541065 417057092 /nfs/dbraw/zinc/05/70/92/417057092.db2.gz LPTUHHISTADKRV-XYPYZODXSA-N 0 0 310.375 0.969 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000448093883 417059495 /nfs/dbraw/zinc/05/94/95/417059495.db2.gz BUVLMIAAJYMRBF-MRXNPFEDSA-N 0 0 318.377 0.380 10 0 DCAERN C=CC(=O)NCCC(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000378289485 417079629 /nfs/dbraw/zinc/07/96/29/417079629.db2.gz FYRZJFMLWGAIQT-UHFFFAOYSA-N 0 0 303.297 1.037 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616593770 417082724 /nfs/dbraw/zinc/08/27/24/417082724.db2.gz LDJRJMPAHFUDAU-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](n2ccc(N)n2)C1 ZINC000616649212 417086244 /nfs/dbraw/zinc/08/62/44/417086244.db2.gz WQFWTTPIWBSCNX-LBPRGKRZSA-N 0 0 311.386 0.821 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2CN(S(N)(=O)=O)CCO2)c1 ZINC000616643938 417087455 /nfs/dbraw/zinc/08/74/55/417087455.db2.gz JTXGMLPLELJPDO-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN Cn1cc(Br)cc1C(=O)NC1COCCOC1 ZINC000380164786 417087871 /nfs/dbraw/zinc/08/78/71/417087871.db2.gz VTLUBZKYFWYSSI-UHFFFAOYSA-N 0 0 303.156 0.933 10 0 DCAERN Nc1n[nH]cc1[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616663138 417089594 /nfs/dbraw/zinc/08/95/94/417089594.db2.gz IDKORUROVODLCX-NSHDSACASA-N 0 0 322.390 0.797 10 0 DCAERN CC(=O)Nc1ccccc1[C@@H]1COCCN(S(N)(=O)=O)C1 ZINC000616663309 417089716 /nfs/dbraw/zinc/08/97/16/417089716.db2.gz NUYVUUBDKXGYCT-NSHDSACASA-N 0 0 313.379 0.264 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1cnnc2ccccc21 ZINC000616652103 417089728 /nfs/dbraw/zinc/08/97/28/417089728.db2.gz IRXIZIGUFVVZFF-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000523692454 417090283 /nfs/dbraw/zinc/09/02/83/417090283.db2.gz DCLFEKGDAHQNFJ-UHFFFAOYSA-N 0 0 309.351 0.350 10 0 DCAERN Nc1cc([C@@H]2CN(S(N)(=O)=O)c3ccccc3N2)ccn1 ZINC000616679148 417093066 /nfs/dbraw/zinc/09/30/66/417093066.db2.gz CNGKFWFYCMRDQY-NSHDSACASA-N 0 0 305.363 0.841 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCCN1CCSCC1 ZINC000524285950 417104540 /nfs/dbraw/zinc/10/45/40/417104540.db2.gz OFPZBBCPIKSGOY-ZDUSSCGKSA-N 0 0 321.446 0.970 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000399198489 417111106 /nfs/dbraw/zinc/11/11/06/417111106.db2.gz MNOXDMZHWRIVGM-UTUOFQBUSA-N 0 0 304.412 0.172 10 0 DCAERN O=S(=O)(CC1CCCCC1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404116097 417117104 /nfs/dbraw/zinc/11/71/04/417117104.db2.gz GBFKEKRLHZBYLV-KGLIPLIRSA-N 0 0 302.440 0.959 10 0 DCAERN Cc1cccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1F ZINC000404175047 417117780 /nfs/dbraw/zinc/11/77/80/417117780.db2.gz HGAWHVIDTYTUGE-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCN(C)C[C@@H]1C)N1CCCS1(=O)=O ZINC000408078903 417141701 /nfs/dbraw/zinc/14/17/01/417141701.db2.gz FXCQUVTTZIHXRT-STQMWFEESA-N 0 0 317.455 0.209 10 0 DCAERN CCN1C[C@H](C)N(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000408042020 417135779 /nfs/dbraw/zinc/13/57/79/417135779.db2.gz PHRLYCWESIWJIC-XDQVBPFNSA-N 0 0 319.471 0.755 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)CC1 ZINC000408070306 417136080 /nfs/dbraw/zinc/13/60/80/417136080.db2.gz ITHWYUABAPIMAH-CABCVRRESA-N 0 0 311.426 0.303 10 0 DCAERN Cc1cc(NC(=O)NC2CCC(S(C)(=O)=O)CC2)nn1C ZINC000408419004 417160487 /nfs/dbraw/zinc/16/04/87/417160487.db2.gz FZADRZANFOVMRD-UHFFFAOYSA-N 0 0 314.411 1.206 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1CCOCC12CCC2 ZINC000408415123 417162114 /nfs/dbraw/zinc/16/21/14/417162114.db2.gz ZZBDCTJMROIUIE-UHFFFAOYSA-N 0 0 311.425 0.006 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C1CC(O)C1)C2=O ZINC000408216857 417148304 /nfs/dbraw/zinc/14/83/04/417148304.db2.gz JMGYJPWRQXGWOY-UHFFFAOYSA-N 0 0 323.393 0.469 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000408238843 417149105 /nfs/dbraw/zinc/14/91/05/417149105.db2.gz UQDKTNLJAHNLNT-WDEREUQCSA-N 0 0 314.411 0.739 10 0 DCAERN c1ccc(-c2noc(CN3CCN(c4nccnn4)CC3)n2)nc1 ZINC000625637628 417151847 /nfs/dbraw/zinc/15/18/47/417151847.db2.gz ALEKTRVYADXOBI-UHFFFAOYSA-N 0 0 324.348 0.639 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000408336064 417156003 /nfs/dbraw/zinc/15/60/03/417156003.db2.gz YDFHEVIGHNEVHA-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CCCc1cc(Sc2nnc(CO)n2C)n2ncnc2n1 ZINC000432055859 417156988 /nfs/dbraw/zinc/15/69/88/417156988.db2.gz VQGNCTDLNPILJE-UHFFFAOYSA-N 0 0 305.367 0.849 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H](C)N2CCOCC2)[C@H](C)C1=O ZINC000408375497 417157117 /nfs/dbraw/zinc/15/71/17/417157117.db2.gz KPVUFBFQJJXLNF-ZIAGYGMSSA-N 0 0 311.426 0.422 10 0 DCAERN CC(C)NS(=O)(=O)c1cccnc1N1CC[C@H](C)[C@H](O)C1 ZINC000408394522 417158795 /nfs/dbraw/zinc/15/87/95/417158795.db2.gz KVUVTIHVCVHMQM-NWDGAFQWSA-N 0 0 313.423 0.975 10 0 DCAERN COC[C@H](CCNC(=O)c1c(Br)cnn1C)OC ZINC000617243356 417186412 /nfs/dbraw/zinc/18/64/12/417186412.db2.gz TZZHZVKLRNDYDD-QMMMGPOBSA-N 0 0 320.187 0.964 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000617259914 417189063 /nfs/dbraw/zinc/18/90/63/417189063.db2.gz KEFGLHODCOSSEL-ZFWWWQNUSA-N 0 0 305.382 0.385 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617264917 417192450 /nfs/dbraw/zinc/19/24/50/417192450.db2.gz RRNXCFWXKWDUGR-KBPBESRZSA-N 0 0 305.382 0.528 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCOC[C@H]1C(N)=O)CC2 ZINC000527252190 417230003 /nfs/dbraw/zinc/23/00/03/417230003.db2.gz OPNUBRZDUQRPCY-GWCFXTLKSA-N 0 0 320.393 0.351 10 0 DCAERN CNc1nc(N2CCN(CC(=O)OC)CC2)nc2ccccc21 ZINC000450247577 417210075 /nfs/dbraw/zinc/21/00/75/417210075.db2.gz YXMYMWJVZTWJSZ-UHFFFAOYSA-N 0 0 315.377 0.967 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CN1C(=O)CN(C2CCC2)C1=O ZINC000569063553 417210705 /nfs/dbraw/zinc/21/07/05/417210705.db2.gz DDKVCOAJQDUTGP-LLVKDONJSA-N 0 0 315.395 0.227 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@@H](C(N)=O)c2ccccc2)CC12COC2 ZINC000451135381 417305219 /nfs/dbraw/zinc/30/52/19/417305219.db2.gz MLJMJMTUVKFQEE-UONOGXRCSA-N 0 0 318.373 0.725 10 0 DCAERN CC(=O)N1CCc2cc(S(=O)(=O)NCCO)c(Cl)cc21 ZINC000528326105 417328156 /nfs/dbraw/zinc/32/81/56/417328156.db2.gz INUKOVQJVCIVPV-UHFFFAOYSA-N 0 0 318.782 0.520 10 0 DCAERN CCOC(=O)[C@@H](COC)N(C(=O)Cc1cn(C)nc1C)C1CC1 ZINC000451292203 417329774 /nfs/dbraw/zinc/32/97/74/417329774.db2.gz CLGKQTMOVPTQOG-CQSZACIVSA-N 0 0 323.393 0.840 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCOCC2CCC2)cn1 ZINC000570895850 417402148 /nfs/dbraw/zinc/40/21/48/417402148.db2.gz GBJTWCLBZVVZFO-UHFFFAOYSA-N 0 0 307.350 0.962 10 0 DCAERN O=C(c1cn(CC2CC2)nn1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000622329355 417429963 /nfs/dbraw/zinc/42/99/63/417429963.db2.gz IONJJUCGBVEKKU-GFCCVEGCSA-N 0 0 318.381 0.318 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccoc2)CC12COC2 ZINC000451620831 417365750 /nfs/dbraw/zinc/36/57/50/417365750.db2.gz RIULKUCTJHBEPQ-LLVKDONJSA-N 0 0 315.347 0.480 10 0 DCAERN C[C@@H](C(=O)N(C)C)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451659870 417373793 /nfs/dbraw/zinc/37/37/93/417373793.db2.gz CGZDYMVEMNYRSS-NSHDSACASA-N 0 0 305.378 0.780 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000633463314 417434501 /nfs/dbraw/zinc/43/45/01/417434501.db2.gz PSFJVCBWQROXNZ-CYBMUJFWSA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000633586936 417459311 /nfs/dbraw/zinc/45/93/11/417459311.db2.gz YNGCBRHBHXVSRG-RMRHIDDWSA-N 0 0 311.426 0.611 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccc(C)nc2)CC12COC2 ZINC000452262688 417461890 /nfs/dbraw/zinc/46/18/90/417461890.db2.gz MNBVCMICNLWEBC-AWEZNQCLSA-N 0 0 318.373 0.971 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC000633602980 417462431 /nfs/dbraw/zinc/46/24/31/417462431.db2.gz RQZZYMATSPAMMS-OLZOCXBDSA-N 0 0 322.409 0.607 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC2(OC)CCC2)CC12COC2 ZINC000452266765 417463615 /nfs/dbraw/zinc/46/36/15/417463615.db2.gz UARUUQAIPONMON-GFCCVEGCSA-N 0 0 311.378 0.984 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(OC)n(C)n2)CC12COC2 ZINC000452267114 417463854 /nfs/dbraw/zinc/46/38/54/417463854.db2.gz UUIHGALHPWXPFD-SNVBAGLBSA-N 0 0 323.349 0.080 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCCn2cccn2)CC12COC2 ZINC000452269956 417463989 /nfs/dbraw/zinc/46/39/89/417463989.db2.gz YMDMWERLFJXEAA-ZDUSSCGKSA-N 0 0 321.377 0.701 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CNCC(F)(F)F)CC12COC2 ZINC000452270814 417464219 /nfs/dbraw/zinc/46/42/19/417464219.db2.gz ZYQCPYNRKSACGC-SECBINFHSA-N 0 0 324.299 0.176 10 0 DCAERN CCCn1cc(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)cn1 ZINC000452267897 417464880 /nfs/dbraw/zinc/46/48/80/417464880.db2.gz WCSLKHFESDGRQL-ZDUSSCGKSA-N 0 0 321.377 0.945 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnc(C)nc2C)CC12COC2 ZINC000452267126 417464892 /nfs/dbraw/zinc/46/48/92/417464892.db2.gz UWOHOLUXIFNYSQ-ZDUSSCGKSA-N 0 0 319.361 0.745 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)CN1CCCC[C@@H](O)C1=O ZINC000644335370 417541027 /nfs/dbraw/zinc/54/10/27/417541027.db2.gz CAYWQWXDDOYREA-OAHLLOKOSA-N 0 0 318.373 0.958 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C(=O)c2ccc[nH]2)CC12COC2 ZINC000454277827 417553441 /nfs/dbraw/zinc/55/34/41/417553441.db2.gz ZCXWNZCBMHTGLO-SNVBAGLBSA-N 0 0 306.318 0.236 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2cnn(C)c2)CC12COC2 ZINC000454364173 417559000 /nfs/dbraw/zinc/55/90/00/417559000.db2.gz CLPGFILEWVKWIH-LBPRGKRZSA-N 0 0 322.365 0.141 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)[C@H]3CCCO3)ccc21 ZINC000529763327 417498759 /nfs/dbraw/zinc/49/87/59/417498759.db2.gz IJFGFWUCJHZDPU-HZPDHXFCSA-N 0 0 318.373 0.865 10 0 DCAERN CC(=O)c1cnccc1NC(=O)CN1CCN(C2CC2)C1=O ZINC000622850364 417510372 /nfs/dbraw/zinc/51/03/72/417510372.db2.gz FMBSFKLQKCRKTI-UHFFFAOYSA-N 0 0 302.334 0.545 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)ccc1C ZINC000627833641 417511815 /nfs/dbraw/zinc/51/18/15/417511815.db2.gz AKTQZUXKUWKTQP-UMSPYCQHSA-N 0 0 317.345 0.516 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)CO)c1 ZINC000452973616 417512264 /nfs/dbraw/zinc/51/22/64/417512264.db2.gz XVXKFEFYWGODHD-UHFFFAOYSA-N 0 0 314.407 0.685 10 0 DCAERN COC(=O)CC1(CC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCCC1 ZINC000452989579 417515357 /nfs/dbraw/zinc/51/53/57/417515357.db2.gz UFVBVMFZRUUMNO-PHIMTYICSA-N 0 0 322.361 0.231 10 0 DCAERN O=C(Cn1ncc2ccccc21)NC[C@@H](CO)[C@H]1CCOC1 ZINC000575181357 417519304 /nfs/dbraw/zinc/51/93/04/417519304.db2.gz OWDDYNRPWRUQHN-KBPBESRZSA-N 0 0 303.362 0.798 10 0 DCAERN O=C(NCC[C@@H]1CCOC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000576135565 417583418 /nfs/dbraw/zinc/58/34/18/417583418.db2.gz KJHORUBMJWOTDU-ZIAGYGMSSA-N 0 0 309.410 0.226 10 0 DCAERN O=C(NCC[C@H]1CCOC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000576135564 417584812 /nfs/dbraw/zinc/58/48/12/417584812.db2.gz KJHORUBMJWOTDU-UONOGXRCSA-N 0 0 309.410 0.226 10 0 DCAERN O=C(CCNS(=O)(=O)c1cccs1)N1CC=CCN1 ZINC000628226879 417592534 /nfs/dbraw/zinc/59/25/34/417592534.db2.gz HUUREUKVIHIYFG-UHFFFAOYSA-N 0 0 301.393 0.320 10 0 DCAERN COc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000628257379 417597972 /nfs/dbraw/zinc/59/79/72/417597972.db2.gz KWQDOBZWVQDLJS-CHWSQXEVSA-N 0 0 318.333 0.088 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ncccc2OC)C1 ZINC000454686548 417575087 /nfs/dbraw/zinc/57/50/87/417575087.db2.gz UINVLDFKELSSRO-NSHDSACASA-N 0 0 321.381 0.693 10 0 DCAERN CC(=O)c1ncc(C(=O)N2CCN(c3nccnn3)CC2)s1 ZINC000628383075 417616457 /nfs/dbraw/zinc/61/64/57/417616457.db2.gz TWIOENZMEPQSDL-UHFFFAOYSA-N 0 0 318.362 0.493 10 0 DCAERN O[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1n1ccnn1 ZINC000628506257 417627574 /nfs/dbraw/zinc/62/75/74/417627574.db2.gz ZOSGPKSMVOMPMO-VXGBXAGGSA-N 0 0 324.182 0.853 10 0 DCAERN O=S(=O)(Nc1ccc(Cc2nn[nH]n2)cc1)N1CCCC1 ZINC000531696303 417634771 /nfs/dbraw/zinc/63/47/71/417634771.db2.gz ISUPIJKAQBKQIW-UHFFFAOYSA-N 0 0 308.367 0.543 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CC(C)(CO)C1 ZINC000456255592 417638994 /nfs/dbraw/zinc/63/89/94/417638994.db2.gz SJGHYOUKQLVPKA-UHFFFAOYSA-N 0 0 304.390 0.918 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccnn2CC)C1 ZINC000532595871 417683150 /nfs/dbraw/zinc/68/31/50/417683150.db2.gz QXLUCKULDYCRLL-NSHDSACASA-N 0 0 321.381 0.359 10 0 DCAERN CCOC(=O)C1(CNC(=O)N(C)Cc2nnnn2C)CCC1 ZINC000532063890 417654731 /nfs/dbraw/zinc/65/47/31/417654731.db2.gz VAKXIWASFMKCKR-UHFFFAOYSA-N 0 0 310.358 0.085 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000532063609 417655418 /nfs/dbraw/zinc/65/54/18/417655418.db2.gz WVSNHJOOVGDRIB-YUSALJHKSA-N 0 0 308.386 0.555 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[C@@H](C)C1 ZINC000532170777 417664820 /nfs/dbraw/zinc/66/48/20/417664820.db2.gz SJBBZQLIRRSRLU-GXTWGEPZSA-N 0 0 309.410 0.570 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000532165087 417665506 /nfs/dbraw/zinc/66/55/06/417665506.db2.gz XESQCQHZRMYSKM-CABZTGNLSA-N 0 0 316.404 0.507 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Cc2csc3nccn23)C1 ZINC000532222243 417666429 /nfs/dbraw/zinc/66/64/29/417666429.db2.gz GKJXQAOBRMDXMM-JTQLQIEISA-N 0 0 321.406 0.858 10 0 DCAERN CC(C)Oc1cccc(C(=O)NC[C@H](O)Cn2ccnn2)n1 ZINC000458124805 417723977 /nfs/dbraw/zinc/72/39/77/417723977.db2.gz APQVCCWGDIZNAR-NSHDSACASA-N 0 0 305.338 0.251 10 0 DCAERN Cc1ccc(CC(=O)NC[C@H](O)Cn2ccnn2)c(Cl)c1 ZINC000458154891 417725157 /nfs/dbraw/zinc/72/51/57/417725157.db2.gz ZTSVRZBUCJFSPQ-LBPRGKRZSA-N 0 0 308.769 0.960 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccnc1 ZINC000173939996 545884485 /nfs/dbraw/zinc/88/44/85/545884485.db2.gz HBQSEXROGVBFNH-DGCLKSJQSA-N 0 0 311.407 0.725 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1S(C)(=O)=O ZINC000664266785 418106531 /nfs/dbraw/zinc/10/65/31/418106531.db2.gz FPQSOLBHCPCKIN-GHMZBOCLSA-N 0 0 319.404 0.314 10 0 DCAERN C[C@@H](O)CCN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000450234852 287441882 /nfs/dbraw/zinc/44/18/82/287441882.db2.gz VHPQWEUFBUOWIL-CJNGLKHVSA-N 0 0 320.389 0.884 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H](C)C(=O)Cc2ccccc2)nn1 ZINC000450297536 287444454 /nfs/dbraw/zinc/44/44/54/287444454.db2.gz JVNPIMGLLBKHAW-NSHDSACASA-N 0 0 314.345 0.797 10 0 DCAERN CC(C)[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](CO)C(C)C ZINC000452908035 287490221 /nfs/dbraw/zinc/49/02/21/287490221.db2.gz DCYXNQTVAKVGAP-SWLSCSKDSA-N 0 0 300.399 0.251 10 0 DCAERN Cc1cc(CCNS(=O)(=O)N2CCOC(C)(C)C2)on1 ZINC000560485320 288506615 /nfs/dbraw/zinc/50/66/15/288506615.db2.gz JXIPDGYKIFSVFW-UHFFFAOYSA-N 0 0 303.384 0.471 10 0 DCAERN CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000460019490 287509393 /nfs/dbraw/zinc/50/93/93/287509393.db2.gz SFXUGFCKPQPHIY-DYVFJYSZSA-N 0 0 321.421 0.764 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1scnc1C ZINC000487124452 287532270 /nfs/dbraw/zinc/53/22/70/287532270.db2.gz RMHCYYBRXKICTE-RKDXNWHRSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnccc1C ZINC000488300356 287548913 /nfs/dbraw/zinc/54/89/13/287548913.db2.gz ULDUMXRTNDKZFN-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)COC ZINC000488319825 287549560 /nfs/dbraw/zinc/54/95/60/287549560.db2.gz ZITMFRVAJMYXFG-ZJUUUORDSA-N 0 0 302.371 0.232 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccnc1 ZINC000488252853 287547583 /nfs/dbraw/zinc/54/75/83/287547583.db2.gz UJAJXBNAKYKMRC-GHMZBOCLSA-N 0 0 307.350 0.197 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(C)ccn1 ZINC000488548977 287553646 /nfs/dbraw/zinc/55/36/46/287553646.db2.gz VZOZQCLKYJGOEZ-MNOVXSKESA-N 0 0 322.365 0.968 10 0 DCAERN Cc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299743924 229382412 /nfs/dbraw/zinc/38/24/12/229382412.db2.gz QAJVXNHUQQZTGS-OLZOCXBDSA-N 0 0 308.357 0.869 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C(F)(F)F ZINC000299746022 229387508 /nfs/dbraw/zinc/38/75/08/229387508.db2.gz UUJCIWZOMJPUFH-HTQZYQBOSA-N 0 0 305.231 0.957 10 0 DCAERN C[C@@H](C(N)=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000301960113 230006106 /nfs/dbraw/zinc/00/61/06/230006106.db2.gz MBPUVYFXKASMCI-QMMMGPOBSA-N 0 0 303.288 0.491 10 0 DCAERN CCS(=O)(=O)N1CCN(c2noc(C(C)(C)C)n2)CC1 ZINC000302038092 230053902 /nfs/dbraw/zinc/05/39/02/230053902.db2.gz GMCSQYQSOGGIHM-UHFFFAOYSA-N 0 0 302.400 0.839 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCOC1 ZINC000179201943 261111843 /nfs/dbraw/zinc/11/18/43/261111843.db2.gz KZFNTGICXQNDIB-VHSXEESVSA-N 0 0 316.354 0.398 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H](CO)Cc1ccccc1 ZINC000179796675 261113981 /nfs/dbraw/zinc/11/39/81/261113981.db2.gz UNHHLBXVQPHMGA-OAHLLOKOSA-N 0 0 313.357 0.531 10 0 DCAERN CC(C)[C@@H](C(=O)NCc1cc(C(N)=O)co1)N1CCCC1=O ZINC000187879410 261124916 /nfs/dbraw/zinc/12/49/16/261124916.db2.gz CAXQJDBSJMZIRO-ZDUSSCGKSA-N 0 0 307.350 0.642 10 0 DCAERN COc1ccccc1S(=O)(=O)NCc1cc(C(N)=O)co1 ZINC000188251776 261125618 /nfs/dbraw/zinc/12/56/18/261125618.db2.gz SYMMXGRQRCCVTH-UHFFFAOYSA-N 0 0 310.331 0.866 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000188163136 261125689 /nfs/dbraw/zinc/12/56/89/261125689.db2.gz UYQOTYAJGORBEI-GJZGRUSLSA-N 0 0 319.405 0.818 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCN(C)C(=O)[C@H]1C)c1ccccc1 ZINC000188393590 261126832 /nfs/dbraw/zinc/12/68/32/261126832.db2.gz LLWGXDCFRGZQEB-DOMZBBRYSA-N 0 0 317.389 0.943 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188518726 261128586 /nfs/dbraw/zinc/12/85/86/261128586.db2.gz CVKPCCUICWPPKO-UHFFFAOYSA-N 0 0 321.300 0.922 10 0 DCAERN O=C(OCC1CC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000189634581 261132757 /nfs/dbraw/zinc/13/27/57/261132757.db2.gz XMDKCBYASDQUDC-UHFFFAOYSA-N 0 0 302.338 0.793 10 0 DCAERN O=C(Nc1ccc2cc[nH]c2c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000193005890 261140659 /nfs/dbraw/zinc/14/06/59/261140659.db2.gz FQNJKAMHPYDWLK-UHFFFAOYSA-N 0 0 321.358 0.363 10 0 DCAERN COc1cccc(CNC(=O)NCCCC(=O)NC2CC2)n1 ZINC000194647886 261146534 /nfs/dbraw/zinc/14/65/34/261146534.db2.gz GDPAGCNTYDZRGA-UHFFFAOYSA-N 0 0 306.366 0.948 10 0 DCAERN CCOC(=O)CCN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000194454183 261146709 /nfs/dbraw/zinc/14/67/09/261146709.db2.gz ARVKHEJWEZADRR-UHFFFAOYSA-N 0 0 305.334 0.741 10 0 DCAERN CCC(CC)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)N1CCOCC1 ZINC000194867505 261149592 /nfs/dbraw/zinc/14/95/92/261149592.db2.gz MGXCAMIPGJZBBY-UONOGXRCSA-N 0 0 311.426 0.376 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC([C@@H](C)O)CC1 ZINC000234604372 261155145 /nfs/dbraw/zinc/15/51/45/261155145.db2.gz LKFRQADYPXTXFG-RAIGVLPGSA-N 0 0 319.423 0.751 10 0 DCAERN CCOC(=O)[C@]1(C(C)C)CCN(c2cncc(C(N)=O)n2)C1 ZINC000302839653 261173383 /nfs/dbraw/zinc/17/33/83/261173383.db2.gz ZKDYOTTWYWFPEJ-OAHLLOKOSA-N 0 0 306.366 0.991 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000323341795 261178223 /nfs/dbraw/zinc/17/82/23/261178223.db2.gz PUALSSBJQSRXTG-MRXNPFEDSA-N 0 0 317.345 0.024 10 0 DCAERN CC(=O)N1CCN(C(=O)C2CN(CC(F)(F)F)C2)[C@H](C)C1 ZINC000354922373 261287165 /nfs/dbraw/zinc/28/71/65/261287165.db2.gz QZSLJYXVIPHWKQ-SECBINFHSA-N 0 0 307.316 0.560 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000357209774 261515779 /nfs/dbraw/zinc/51/57/79/261515779.db2.gz YPGZUOGZBJEWIU-WCQYABFASA-N 0 0 304.412 0.438 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@@H](C)C1 ZINC000357936347 261604115 /nfs/dbraw/zinc/60/41/15/261604115.db2.gz MUMYKLMCNDZYJF-NSHDSACASA-N 0 0 318.377 0.548 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2nc(CC(F)(F)F)no2)n1 ZINC000358084502 261628513 /nfs/dbraw/zinc/62/85/13/261628513.db2.gz WSFUWECVNPMFIF-UHFFFAOYSA-N 0 0 318.211 0.566 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)NC[C@H](CO)C1CC1 ZINC000359779769 261767151 /nfs/dbraw/zinc/76/71/51/261767151.db2.gz YUFGVZYLGMIPHG-CYBMUJFWSA-N 0 0 320.389 0.950 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2nnnn2C)c1 ZINC000360127778 261795056 /nfs/dbraw/zinc/79/50/56/261795056.db2.gz LSLBFOZBVOZMBO-UHFFFAOYSA-N 0 0 323.378 0.453 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)NC12CC3CC(CC(C3)C1)C2 ZINC000360502842 261839271 /nfs/dbraw/zinc/83/92/71/261839271.db2.gz GPSLCERKELJLPA-QUDLODQRSA-N 0 0 308.422 0.499 10 0 DCAERN Cn1nccc1S(=O)(=O)NCCCc1nnc2ccccn21 ZINC000360835316 261881321 /nfs/dbraw/zinc/88/13/21/261881321.db2.gz SGWCTNRKWGECPX-UHFFFAOYSA-N 0 0 320.378 0.374 10 0 DCAERN COC(=O)[C@H](N[C@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 ZINC000361087980 261895375 /nfs/dbraw/zinc/89/53/75/261895375.db2.gz WHPGBPZNSYULSD-NOZJJQNGSA-N 0 0 312.391 0.936 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)OCC ZINC000361407116 261922038 /nfs/dbraw/zinc/92/20/38/261922038.db2.gz CKOQSXCWDLKJRQ-MEPZIYLKSA-N 0 0 305.396 0.983 10 0 DCAERN C[C@H](C[C@H](C)O)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361703276 261952469 /nfs/dbraw/zinc/95/24/69/261952469.db2.gz QOLRZTGAXKJIOI-OLZOCXBDSA-N 0 0 322.409 0.877 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1cccc2c1CCO2 ZINC000362127165 262002420 /nfs/dbraw/zinc/00/24/20/262002420.db2.gz XVVGIZFRSLHILO-MNOVXSKESA-N 0 0 304.346 0.789 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[C@@](C)(O)C1 ZINC000362195118 262008585 /nfs/dbraw/zinc/00/85/85/262008585.db2.gz HPQLICPRFCAXCQ-MRXNPFEDSA-N 0 0 319.361 0.591 10 0 DCAERN COC[C@@](C)(NC(=O)COCc1nc(C)no1)C(F)(F)F ZINC000362204704 262009086 /nfs/dbraw/zinc/00/90/86/262009086.db2.gz PAXQELAZWBPJSX-SNVBAGLBSA-N 0 0 311.260 0.978 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccncc1 ZINC000362476137 262039543 /nfs/dbraw/zinc/03/95/43/262039543.db2.gz GHEYAQNNXTZFGC-VHSXEESVSA-N 0 0 308.338 0.081 10 0 DCAERN COc1ccc(NC(=O)[C@@H](CO)NC(=O)C(C)C)cc1CO ZINC000362938404 262088609 /nfs/dbraw/zinc/08/86/09/262088609.db2.gz MGFBEYDARQMWNO-GFCCVEGCSA-N 0 0 310.350 0.259 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000363561373 262121343 /nfs/dbraw/zinc/12/13/43/262121343.db2.gz YLQPBCGARPJPTJ-WRWGMCAJSA-N 0 0 312.366 0.383 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3CCN4CCOC[C@H]4C3)c12 ZINC000363829206 262133139 /nfs/dbraw/zinc/13/31/39/262133139.db2.gz WIDQQBPAHQDORQ-GFCCVEGCSA-N 0 0 316.361 0.996 10 0 DCAERN Cc1cc(NC(=O)N2CCN3CCOC[C@H]3C2)ccc1C(N)=O ZINC000363859169 262135013 /nfs/dbraw/zinc/13/50/13/262135013.db2.gz FBTIQOIYZGLDHO-CYBMUJFWSA-N 0 0 318.377 0.642 10 0 DCAERN O=C(C[C@@H](O)c1cccc(F)c1)N1CCN2CCOC[C@@H]2C1 ZINC000363863849 262135119 /nfs/dbraw/zinc/13/51/19/262135119.db2.gz CAGQHLYVABEXBD-LSDHHAIUSA-N 0 0 308.353 0.792 10 0 DCAERN CCc1cccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363993595 262139559 /nfs/dbraw/zinc/13/95/59/262139559.db2.gz DICDCMQTMMDTQD-AWEZNQCLSA-N 0 0 310.419 0.954 10 0 DCAERN Cc1oc(Br)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000396748151 262163351 /nfs/dbraw/zinc/16/33/51/262163351.db2.gz QLVYZMLJJAZJFM-MRVPVSSYSA-N 0 0 317.139 0.677 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000432311999 262642327 /nfs/dbraw/zinc/64/23/27/262642327.db2.gz MZFRPMPMGFBZEV-NSHDSACASA-N 0 0 319.365 0.561 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000358496026 271052141 /nfs/dbraw/zinc/05/21/41/271052141.db2.gz INYXOSNGALVCLA-GFCCVEGCSA-N 0 0 303.428 0.876 10 0 DCAERN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000358770387 271069924 /nfs/dbraw/zinc/06/99/24/271069924.db2.gz IXBCIVRIHFMYBC-SDDRHHMPSA-N 0 0 300.399 0.536 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)N[C@@H]2CC(=O)N(C)C2)no1 ZINC000358877637 271077458 /nfs/dbraw/zinc/07/74/58/271077458.db2.gz DEWCZNLUBQCMDD-RKDXNWHRSA-N 0 0 311.342 0.197 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(C)C[C@H]2CCOC2)n1 ZINC000359239706 271110517 /nfs/dbraw/zinc/11/05/17/271110517.db2.gz OCUNJKJWJNIUEO-GFCCVEGCSA-N 0 0 321.377 0.244 10 0 DCAERN C[C@@H](CNC(=O)c1cccnc1C(F)(F)F)S(N)(=O)=O ZINC000359611489 271133114 /nfs/dbraw/zinc/13/31/14/271133114.db2.gz GFWMBZPCJHLNDY-LURJTMIESA-N 0 0 311.285 0.507 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000359614147 271133348 /nfs/dbraw/zinc/13/33/48/271133348.db2.gz YIDAFHBZORNLIQ-OAHLLOKOSA-N 0 0 309.410 0.178 10 0 DCAERN CO[C@@]1(CNC(=O)[C@@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000359785905 271142835 /nfs/dbraw/zinc/14/28/35/271142835.db2.gz DQTCBGWNUTXAGT-MLGOLLRUSA-N 0 0 306.362 0.727 10 0 DCAERN NC(=O)N[C@H](CC(=O)NC[C@H](CO)C1CC1)c1cccs1 ZINC000359772346 271142930 /nfs/dbraw/zinc/14/29/30/271142930.db2.gz FQYGRXNNEMCQAA-GHMZBOCLSA-N 0 0 311.407 0.982 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1cncnc1N(C)C ZINC000363896909 271207442 /nfs/dbraw/zinc/20/74/42/271207442.db2.gz OLKOXYHLBYCBOY-JTQLQIEISA-N 0 0 307.354 0.119 10 0 DCAERN COC[C@H](NC(=O)N1CCSC[C@H]1CCO)[C@H]1CCCO1 ZINC000434853472 271546325 /nfs/dbraw/zinc/54/63/25/271546325.db2.gz ANWDPPFKFOEKMU-FRRDWIJNSA-N 0 0 318.439 0.690 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000435208060 271555773 /nfs/dbraw/zinc/55/57/73/271555773.db2.gz PJBATVXLKTWEPL-SDDRHHMPSA-N 0 0 305.444 0.569 10 0 DCAERN CCCCn1ncc(NC(=O)C(=O)NC[C@H](O)C(F)F)c1C ZINC000437070368 271617688 /nfs/dbraw/zinc/61/76/88/271617688.db2.gz WNTCNQZYWQLAHP-JTQLQIEISA-N 0 0 318.324 0.672 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)N(C)[C@H](C)C[S@](C)=O)s1 ZINC000442019871 271663395 /nfs/dbraw/zinc/66/33/95/271663395.db2.gz DECLPGAWUCVDPF-GLEHDBDLSA-N 0 0 317.436 0.924 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H](O)C2)cn1 ZINC000442061570 271663947 /nfs/dbraw/zinc/66/39/47/271663947.db2.gz LHWFFFDGEFOGHS-WCQYABFASA-N 0 0 320.393 0.753 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2c(C)noc2C)n1 ZINC000442350607 271669270 /nfs/dbraw/zinc/66/92/70/271669270.db2.gz ZKGJDAQXMZZRNJ-UHFFFAOYSA-N 0 0 318.333 0.992 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CSC[C@@H]1C(=O)NCC(C)C ZINC000448840758 271833519 /nfs/dbraw/zinc/83/35/19/271833519.db2.gz NLCLIIITRVJBRF-CYBMUJFWSA-N 0 0 324.450 0.945 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCn2cccn2)CC12COC2 ZINC000452221608 271911522 /nfs/dbraw/zinc/91/15/22/271911522.db2.gz JIPQTNWHJLPZFC-GFCCVEGCSA-N 0 0 307.350 0.311 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)CC12COC2 ZINC000452267113 271913312 /nfs/dbraw/zinc/91/33/12/271913312.db2.gz UUIHGALHPWXPFD-JTQLQIEISA-N 0 0 323.349 0.080 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccncc2)CC12COC2 ZINC000454272881 271935671 /nfs/dbraw/zinc/93/56/71/271935671.db2.gz UFBPRKIKCAYUBG-LBPRGKRZSA-N 0 0 305.334 0.547 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000458039143 271941646 /nfs/dbraw/zinc/94/16/46/271941646.db2.gz FLGZVEKYPZPHEP-WCQYABFASA-N 0 0 312.391 0.916 10 0 DCAERN CCSc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccn1 ZINC000458146471 271944427 /nfs/dbraw/zinc/94/44/27/271944427.db2.gz RPWQODVJEFLMTE-NSHDSACASA-N 0 0 307.379 0.576 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1)C(N)=O ZINC000470101780 272027328 /nfs/dbraw/zinc/02/73/28/272027328.db2.gz URMNCEUUENGSOI-WCFLWFBJSA-N 0 0 321.377 0.959 10 0 DCAERN COc1ncc(NC(=O)N[C@H]2CC[C@H](OC)C2)cc1C(N)=O ZINC000471936098 272033850 /nfs/dbraw/zinc/03/38/50/272033850.db2.gz WZXMFJJUPVTMPY-WPRPVWTQSA-N 0 0 308.338 0.878 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc(F)c1 ZINC000487146156 272038811 /nfs/dbraw/zinc/03/88/11/272038811.db2.gz ATKUTMJYHCEXNH-WDEREUQCSA-N 0 0 324.352 0.941 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccccn1 ZINC000487154268 272038899 /nfs/dbraw/zinc/03/88/99/272038899.db2.gz PUFMTZLMLDXDRY-RYUDHWBXSA-N 0 0 321.377 0.587 10 0 DCAERN O=C(NC[C@@H](O)C(F)F)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000489235339 272058954 /nfs/dbraw/zinc/05/89/54/272058954.db2.gz UGHWQJXYZBASAS-GHMZBOCLSA-N 0 0 313.304 0.717 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCCCc1nnc2ccccn21 ZINC000489444088 272061692 /nfs/dbraw/zinc/06/16/92/272061692.db2.gz DKIXNBCCBNHGJA-NSHDSACASA-N 0 0 316.365 0.192 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCC(C)C ZINC000492046518 272114195 /nfs/dbraw/zinc/11/41/95/272114195.db2.gz NFPHXRZETIGCLP-QWRGUYRKSA-N 0 0 301.387 0.788 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000492315662 272122618 /nfs/dbraw/zinc/12/26/18/272122618.db2.gz YABOKFSYSDQLNG-UHFFFAOYSA-N 0 0 321.443 0.142 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)[S@@](=O)Cc1cnc(C)nc1 ZINC000505726439 272393405 /nfs/dbraw/zinc/39/34/05/272393405.db2.gz LGSZKFZDXVAQMZ-FIKIJFGZSA-N 0 0 313.423 0.965 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000518818409 272492481 /nfs/dbraw/zinc/49/24/81/272492481.db2.gz BLWOOMNNRDXKBX-DGCLKSJQSA-N 0 0 301.346 0.434 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C(C)C ZINC000530067075 272724566 /nfs/dbraw/zinc/72/45/66/272724566.db2.gz GAPWFMAZBVPNAU-TXTZDMIGSA-N 0 0 300.424 0.659 10 0 DCAERN C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1nnnn1C ZINC000532326345 272785184 /nfs/dbraw/zinc/78/51/84/272785184.db2.gz FPDIJGMLQDDSOC-LBPRGKRZSA-N 0 0 314.393 0.615 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC12CCC2 ZINC000533119894 272801964 /nfs/dbraw/zinc/80/19/64/272801964.db2.gz NHMRSQRFMLJWJM-LLVKDONJSA-N 0 0 301.412 0.748 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000068100654 287670718 /nfs/dbraw/zinc/67/07/18/287670718.db2.gz QSZMOVGMTLFSGN-ZYHUDNBSSA-N 0 0 324.402 0.816 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000531557926 287781413 /nfs/dbraw/zinc/78/14/13/287781413.db2.gz ZHJPYEPVVMGYTH-JTQLQIEISA-N 0 0 318.312 0.434 10 0 DCAERN CC(C)n1cc([C@@H](C)NC(=O)N2CC[C@@H](NC(N)=O)C2)cn1 ZINC000534225986 287806731 /nfs/dbraw/zinc/80/67/31/287806731.db2.gz GXXPMWWQNIHATE-ZYHUDNBSSA-N 0 0 308.386 0.977 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)s1 ZINC000416320917 275507608 /nfs/dbraw/zinc/50/76/08/275507608.db2.gz ZQSPUVVXVGQMHO-ZJUUUORDSA-N 0 0 311.407 0.873 10 0 DCAERN CC(C)c1cc(C(=O)N2CCN3C(=O)N(C)C(=O)[C@@H]3C2)nn1C ZINC000371170083 275726416 /nfs/dbraw/zinc/72/64/16/275726416.db2.gz LQYJNQKZRQRWFL-LBPRGKRZSA-N 0 0 319.365 0.262 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2cnc(N(C)C)nc2)[C@H](C)C1 ZINC000408014053 275767080 /nfs/dbraw/zinc/76/70/80/275767080.db2.gz QWLQKOZYEUXJCV-SNVBAGLBSA-N 0 0 306.370 0.627 10 0 DCAERN COC(=O)COc1ccc(C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000536527640 287855379 /nfs/dbraw/zinc/85/53/79/287855379.db2.gz DUBNKACJMXARBL-NSHDSACASA-N 0 0 321.333 0.121 10 0 DCAERN CCCS(=O)(=O)CCN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177269318 276267659 /nfs/dbraw/zinc/26/76/59/276267659.db2.gz PPYVBJSLGRINCM-ZIAGYGMSSA-N 0 0 304.456 0.464 10 0 DCAERN Cc1nc(CN(C)C(=O)c2cnc3ccc(C)cn3c2=O)no1 ZINC000538651860 287880556 /nfs/dbraw/zinc/88/05/56/287880556.db2.gz ZKAHGUBUPARAOC-UHFFFAOYSA-N 0 0 313.317 0.967 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000132101298 276540025 /nfs/dbraw/zinc/54/00/25/276540025.db2.gz YQUUNFQLHIRZPH-CYBMUJFWSA-N 0 0 317.349 0.578 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000408082020 276809419 /nfs/dbraw/zinc/80/94/19/276809419.db2.gz VGWWNNMOQQSFCI-LBPRGKRZSA-N 0 0 305.382 0.089 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000371510312 277015758 /nfs/dbraw/zinc/01/57/58/277015758.db2.gz LCWPZVVJNDMDGX-ZDUSSCGKSA-N 0 0 322.434 0.800 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000091770961 277028720 /nfs/dbraw/zinc/02/87/20/277028720.db2.gz BMUHYEYMOSWIJR-IUODEOHRSA-N 0 0 323.780 0.864 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000079069330 277057183 /nfs/dbraw/zinc/05/71/83/277057183.db2.gz JZNRFDCNVLHQJQ-QWHCGFSZSA-N 0 0 324.425 0.696 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954215 277123091 /nfs/dbraw/zinc/12/30/91/277123091.db2.gz FSBGKXOEOGENJV-UKRRQHHQSA-N 0 0 314.341 0.948 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O ZINC000408135846 277235396 /nfs/dbraw/zinc/23/53/96/277235396.db2.gz ZFXSBJVTRHYZLG-UTUOFQBUSA-N 0 0 303.424 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H]2C2CC2)CCS1(=O)=O ZINC000332751886 287946716 /nfs/dbraw/zinc/94/67/16/287946716.db2.gz CDBVTUWLXROZQR-USWWRNFRSA-N 0 0 302.396 0.382 10 0 DCAERN CC(C)(C)N1C[C@@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000544589784 287978646 /nfs/dbraw/zinc/97/86/46/287978646.db2.gz XUJJLHZDBXWYNM-QWHCGFSZSA-N 0 0 309.410 0.176 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cn(C)cn1 ZINC000544670901 287979930 /nfs/dbraw/zinc/97/99/30/287979930.db2.gz JJESWQLKZIPECY-JTQLQIEISA-N 0 0 301.368 0.525 10 0 DCAERN O=C(CSCCOCCO)NC[C@H]1Cc2ccccc2O1 ZINC000545180729 287987090 /nfs/dbraw/zinc/98/70/90/287987090.db2.gz HQXRZXSGWZTYMA-CYBMUJFWSA-N 0 0 311.403 0.848 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000333489506 278068105 /nfs/dbraw/zinc/06/81/05/278068105.db2.gz UHKDLAAFVRSSEQ-ZQDZILKHSA-N 0 0 322.405 0.718 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 ZINC000330566878 278147164 /nfs/dbraw/zinc/14/71/64/278147164.db2.gz LDVLQMXUDFZODD-MNOVXSKESA-N 0 0 318.299 0.941 10 0 DCAERN O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546143669 288016335 /nfs/dbraw/zinc/01/63/35/288016335.db2.gz WJMOBELUDAZEDH-RKDXNWHRSA-N 0 0 316.308 0.510 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000078332596 278171777 /nfs/dbraw/zinc/17/17/77/278171777.db2.gz CUIWWZIJKFJHLG-SMDDNHRTSA-N 0 0 305.378 0.847 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000546696429 288026511 /nfs/dbraw/zinc/02/65/11/288026511.db2.gz YQEPEVPUTGRHLL-FPMFFAJLSA-N 0 0 306.362 0.007 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@H]1C ZINC000294219988 278414325 /nfs/dbraw/zinc/41/43/25/278414325.db2.gz RIXNTYMZRWXKLN-IUCAKERBSA-N 0 0 302.334 0.113 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1N1CCOCC1 ZINC000330092106 278418965 /nfs/dbraw/zinc/41/89/65/278418965.db2.gz QMZRORHYWXINRG-WFASDCNBSA-N 0 0 315.377 0.522 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000547438924 288045850 /nfs/dbraw/zinc/04/58/50/288045850.db2.gz LOAGSIPHKGAJNG-MNOVXSKESA-N 0 0 310.441 0.272 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)c1nnc2n1CCCCC2 ZINC000547451853 288047618 /nfs/dbraw/zinc/04/76/18/288047618.db2.gz ICVPYVWTXSNDOW-MNOVXSKESA-N 0 0 320.397 0.595 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)NCc2cc[nH]n2)CC1 ZINC000547673926 288067358 /nfs/dbraw/zinc/06/73/58/288067358.db2.gz KBRXCKLFILQTBB-UHFFFAOYSA-N 0 0 309.370 0.189 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@H]3C(N)=O)cc21 ZINC000091783782 278697183 /nfs/dbraw/zinc/69/71/83/278697183.db2.gz PMWRIMFJDGHFEQ-ZDUSSCGKSA-N 0 0 305.309 0.942 10 0 DCAERN Cc1nc(CN(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)no1 ZINC000547719828 288072200 /nfs/dbraw/zinc/07/22/00/288072200.db2.gz HUKNHIPZHUZJET-UHFFFAOYSA-N 0 0 301.310 0.774 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)c1cccc3ncnn31)CCO2 ZINC000547764696 288076775 /nfs/dbraw/zinc/07/67/75/288076775.db2.gz QJRZDQGFLZNOKG-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@H](C)C2 ZINC000181104954 278886996 /nfs/dbraw/zinc/88/69/96/278886996.db2.gz JNPRXDWXUJWXQF-LJWDBELGSA-N 0 0 301.346 0.943 10 0 DCAERN Cc1nc(N[C@H]2CCC(=O)N[C@H]2C)sc1S(N)(=O)=O ZINC000338488751 279102859 /nfs/dbraw/zinc/10/28/59/279102859.db2.gz HOSPMNWFDQNISG-FSPLSTOPSA-N 0 0 304.397 0.178 10 0 DCAERN CN(CCc1cnccn1)C(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000548064003 288108244 /nfs/dbraw/zinc/10/82/44/288108244.db2.gz ZNKIEVFVWNAZMT-INIZCTEOSA-N 0 0 316.361 0.090 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCN2C)n1 ZINC000285046607 279256023 /nfs/dbraw/zinc/25/60/23/279256023.db2.gz WKHZYGSNBMUMAY-LBPRGKRZSA-N 0 0 316.365 0.719 10 0 DCAERN CCc1nc(C(=O)NCCCc2nnc3n2CCCC3)no1 ZINC000548156017 288116904 /nfs/dbraw/zinc/11/69/04/288116904.db2.gz JWTOGGGSVPSDLH-UHFFFAOYSA-N 0 0 304.354 0.922 10 0 DCAERN Cn1cc(NC(=O)c2noc3c2CCCCC3)c(=O)n(C)c1=O ZINC000333609871 279345748 /nfs/dbraw/zinc/34/57/48/279345748.db2.gz GODHYRVPSLHEJR-UHFFFAOYSA-N 0 0 318.333 0.593 10 0 DCAERN Cn1nnc2cc(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)cnc21 ZINC000184996213 279432185 /nfs/dbraw/zinc/43/21/85/279432185.db2.gz CLCKDDDAIANBAN-WCBMZHEXSA-N 0 0 302.338 0.137 10 0 DCAERN COC(=O)[C@H](NC(=O)CN1CCOCC1=O)C1CCCCC1 ZINC000548716263 288169878 /nfs/dbraw/zinc/16/98/78/288169878.db2.gz MKDDSEUJYYCGSW-CQSZACIVSA-N 0 0 312.366 0.083 10 0 DCAERN Cn1cc(OCC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cn1 ZINC000548795732 288176702 /nfs/dbraw/zinc/17/67/02/288176702.db2.gz IUAPWAYTJAAVFP-GFCCVEGCSA-N 0 0 324.406 0.323 10 0 DCAERN O=C(N[C@H]1CCOc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000177120815 279978009 /nfs/dbraw/zinc/97/80/09/279978009.db2.gz COVSWPBSDROTBD-YPMHNXCESA-N 0 0 316.361 0.929 10 0 DCAERN Cn1cc(OCC(=O)N2CCN[C@@H](c3ccncc3)C2)cn1 ZINC000548885570 288184572 /nfs/dbraw/zinc/18/45/72/288184572.db2.gz QJEKMVCOAIMCJO-CQSZACIVSA-N 0 0 301.350 0.367 10 0 DCAERN CCCN(C(=O)c1cccc2ncnn21)[C@@H]1CC(=O)N(C)C1=O ZINC000549123172 288192869 /nfs/dbraw/zinc/19/28/69/288192869.db2.gz ZJLDPIDXIBJWQI-LLVKDONJSA-N 0 0 315.333 0.339 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000364400183 280088831 /nfs/dbraw/zinc/08/88/31/280088831.db2.gz NRPDVKCWYNCOJU-ZIBATOQPSA-N 0 0 309.366 0.248 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCC2(SC)CC2)CC1 ZINC000195134651 280204063 /nfs/dbraw/zinc/20/40/63/280204063.db2.gz MUUIMKRRIHBNKZ-GFCCVEGCSA-N 0 0 301.456 0.980 10 0 DCAERN CC[C@@H](O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000122371151 280208820 /nfs/dbraw/zinc/20/88/20/280208820.db2.gz RZXHTLKPGGOTDS-CABCVRRESA-N 0 0 309.385 0.741 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C)o2)[C@H](C)C1 ZINC000550763927 288218936 /nfs/dbraw/zinc/21/89/36/288218936.db2.gz JKGFSHYXBLLACK-LLVKDONJSA-N 0 0 321.377 0.326 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408274885 280492855 /nfs/dbraw/zinc/49/28/55/280492855.db2.gz PZILCJBTDPOQGH-VXGBXAGGSA-N 0 0 304.412 0.151 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2nc(C3CC3)oc2C)CC1 ZINC000552016984 288259366 /nfs/dbraw/zinc/25/93/66/288259366.db2.gz JEWBQNDNOJULRC-UHFFFAOYSA-N 0 0 320.393 0.754 10 0 DCAERN CC1(C)CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCS1(=O)=O ZINC000333720895 281083874 /nfs/dbraw/zinc/08/38/74/281083874.db2.gz NXSULJYKKNBGEU-TUAOUCFPSA-N 0 0 301.408 0.837 10 0 DCAERN Cn1cc(OCC(=O)NCCc2cn3c(n2)SCC3)cn1 ZINC000554528772 288326261 /nfs/dbraw/zinc/32/62/61/288326261.db2.gz BRAHVFCRBBOGLI-UHFFFAOYSA-N 0 0 307.379 0.460 10 0 DCAERN COC(=O)C1(NC[C@H](O)COC[C@@H]2CCCO2)CCCC1 ZINC000556759146 288391615 /nfs/dbraw/zinc/39/16/15/288391615.db2.gz GHIBIRLOAWIQCI-STQMWFEESA-N 0 0 301.383 0.618 10 0 DCAERN CC[C@H](NC(=O)NCCc1cc(C)no1)C(=O)N1CCOCC1 ZINC000561641739 288549596 /nfs/dbraw/zinc/54/95/96/288549596.db2.gz RVNDPVFJIHAKIY-ZDUSSCGKSA-N 0 0 324.381 0.462 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)NCC(=O)c1cccs1 ZINC000561964933 288554407 /nfs/dbraw/zinc/55/44/07/288554407.db2.gz XYUOUWHHVJIBCA-LBPRGKRZSA-N 0 0 323.418 0.063 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000562415085 288573608 /nfs/dbraw/zinc/57/36/08/288573608.db2.gz KJOVVYHWWQSAJD-MGPQQGTHSA-N 0 0 321.439 0.052 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)O)C2)cc1 ZINC000563436541 288675302 /nfs/dbraw/zinc/67/53/02/288675302.db2.gz ZWWWCOLCHKZIGO-RISCZKNCSA-N 0 0 313.375 0.660 10 0 DCAERN CC(=O)N1CC(C(=O)NCC[C@@H]2COc3ccccc3O2)C1 ZINC000564751789 288765641 /nfs/dbraw/zinc/76/56/41/288765641.db2.gz GOHOSPHUEMWFBI-CYBMUJFWSA-N 0 0 304.346 0.811 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C(C)(C)C1 ZINC000408271971 288978778 /nfs/dbraw/zinc/97/87/78/288978778.db2.gz UZFCUPNDMYDRGD-LBPRGKRZSA-N 0 0 324.425 0.650 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCCN(CCO)CC1 ZINC000184529239 289390787 /nfs/dbraw/zinc/39/07/87/289390787.db2.gz PETMOMJBAARDFF-SECBINFHSA-N 0 0 304.334 0.267 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NCCC(N)=O)[C@@H]1c1ccccc1 ZINC000175431529 289803337 /nfs/dbraw/zinc/80/33/37/289803337.db2.gz XWWVILGXBRIHRR-WFASDCNBSA-N 0 0 303.362 0.588 10 0 DCAERN CN1CCCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CC1=O ZINC000189758015 289931558 /nfs/dbraw/zinc/93/15/58/289931558.db2.gz HVQCYXMOBWSHMD-QGZVFWFLSA-N 0 0 316.357 0.849 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1=O ZINC000189749259 289931588 /nfs/dbraw/zinc/93/15/88/289931588.db2.gz TXAWMLWPPMVLRU-LBPRGKRZSA-N 0 0 307.394 0.468 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000283680026 290107041 /nfs/dbraw/zinc/10/70/41/290107041.db2.gz RYXVVSAMDRBGNG-ZDUSSCGKSA-N 0 0 305.378 0.970 10 0 DCAERN Cc1occc1C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000328621866 294048120 /nfs/dbraw/zinc/04/81/20/294048120.db2.gz IAOJJCKMRBVGFL-CYBMUJFWSA-N 0 0 323.374 0.933 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)[C@@H](C)CO1 ZINC000408408997 297057398 /nfs/dbraw/zinc/05/73/98/297057398.db2.gz ZBACBFSPMKNHHP-ZDCWMAILSA-N 0 0 324.468 0.231 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000375926873 299862780 /nfs/dbraw/zinc/86/27/80/299862780.db2.gz JLBZKVFOVGJCOP-RFQIPJPRSA-N 0 0 318.439 0.984 10 0 DCAERN CO[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C[C@@H]1OC ZINC000329134453 294571247 /nfs/dbraw/zinc/57/12/47/294571247.db2.gz QBRHDMJPHRHBGT-UQOMUDLDSA-N 0 0 323.393 0.760 10 0 DCAERN NC(=O)C[C@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000457041457 295059598 /nfs/dbraw/zinc/05/95/98/295059598.db2.gz VDAHZNUQBRKFBY-AWEZNQCLSA-N 0 0 316.357 0.461 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000091782827 295158004 /nfs/dbraw/zinc/15/80/04/295158004.db2.gz QOCSOIULABUWCF-ZIAGYGMSSA-N 0 0 304.346 0.403 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000261968776 295392876 /nfs/dbraw/zinc/39/28/76/295392876.db2.gz NBXJMEGPRHNIGW-JSGCOSHPSA-N 0 0 317.389 0.694 10 0 DCAERN O=C(N1CCSCC1)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000329032113 295577461 /nfs/dbraw/zinc/57/74/61/295577461.db2.gz BGSXAAVYRCDFKC-ZDUSSCGKSA-N 0 0 311.411 0.274 10 0 DCAERN C[C@H]1CCN(CC(=O)NC2CCCCC2)CCS1(=O)=O ZINC000408382028 299975627 /nfs/dbraw/zinc/97/56/27/299975627.db2.gz PBCMSPZUGCESQN-LBPRGKRZSA-N 0 0 302.440 0.944 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000042747159 300056934 /nfs/dbraw/zinc/05/69/34/300056934.db2.gz PZYMIVMIMOMYSV-JQWIXIFHSA-N 0 0 324.402 0.896 10 0 DCAERN C[C@H]1CC[S@@](=O)CCN1c1ccc(S(C)(=O)=O)cn1 ZINC000408111000 300082470 /nfs/dbraw/zinc/08/24/70/300082470.db2.gz XWUXRGKNGYLDOL-XTZNXHDOSA-N 0 0 302.421 0.832 10 0 DCAERN C[C@H]1CN(CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158580 300262333 /nfs/dbraw/zinc/26/23/33/300262333.db2.gz LNCPBEOMAVMEES-RFQIPJPRSA-N 0 0 302.440 0.503 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000040634870 300360809 /nfs/dbraw/zinc/36/08/09/300360809.db2.gz SBFRESSGXOFBCL-QWRGUYRKSA-N 0 0 304.412 0.294 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CCCNC1=O ZINC000408370601 300751094 /nfs/dbraw/zinc/75/10/94/300751094.db2.gz MZZPWYZPCIYRBR-KRWDZBQOSA-N 0 0 315.373 0.778 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000194504105 301241606 /nfs/dbraw/zinc/24/16/06/301241606.db2.gz GLFXPTQLINAVET-ZDUSSCGKSA-N 0 0 308.382 0.378 10 0 DCAERN Cc1ccn2ncc(C(=O)N(CCS(C)(=O)=O)C3CC3)c2n1 ZINC000155708551 302262844 /nfs/dbraw/zinc/26/28/44/302262844.db2.gz YIHRLLVGPLCYPA-UHFFFAOYSA-N 0 0 322.390 0.687 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCCNC2=O)cn1 ZINC000171468316 302923447 /nfs/dbraw/zinc/92/34/47/302923447.db2.gz IYYHDEOYQWFZAI-STQMWFEESA-N 0 0 305.382 0.935 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000408036503 303250615 /nfs/dbraw/zinc/25/06/15/303250615.db2.gz SXSRGZLKCIBVAW-WDEREUQCSA-N 0 0 321.343 0.985 10 0 DCAERN NC(=O)[C@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408079412 303326696 /nfs/dbraw/zinc/32/66/96/303326696.db2.gz IXWYLUQFSGWCPA-LLVKDONJSA-N 0 0 303.318 0.498 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333216534 303438758 /nfs/dbraw/zinc/43/87/58/303438758.db2.gz VPNNIERCGBYNON-NOOOWODRSA-N 0 0 322.452 0.258 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)C1CCOCC1 ZINC000332906521 332902447 /nfs/dbraw/zinc/90/24/47/332902447.db2.gz WMACZTFEQDBPKM-RYUDHWBXSA-N 0 0 316.423 0.202 10 0 DCAERN CS(=O)(=O)NCCC(=O)NCCOc1ccc(F)cc1F ZINC000170946488 332906919 /nfs/dbraw/zinc/90/69/19/332906919.db2.gz QJIWZYKXZVMHDZ-UHFFFAOYSA-N 0 0 322.333 0.399 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186028815 332910032 /nfs/dbraw/zinc/91/00/32/332910032.db2.gz PYIKAWXYDPLFCM-CJNGLKHVSA-N 0 0 310.394 0.651 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000580111045 332944483 /nfs/dbraw/zinc/94/44/83/332944483.db2.gz OEJIKDWKGFMIFG-DGCLKSJQSA-N 0 0 308.382 0.764 10 0 DCAERN CN(C(=O)NC[C@H]1CCC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000188182049 333037959 /nfs/dbraw/zinc/03/79/59/333037959.db2.gz PHHBIVBKLOMATB-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)c2cn3ccnc3s2)CC1 ZINC000188611729 333050321 /nfs/dbraw/zinc/05/03/21/333050321.db2.gz NNONJLHTTLFRPH-UHFFFAOYSA-N 0 0 313.404 0.950 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000190465438 336263447 /nfs/dbraw/zinc/26/34/47/336263447.db2.gz HLIIFDDOPSYZRR-GXSJLCMTSA-N 0 0 314.411 0.679 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000583118642 337239056 /nfs/dbraw/zinc/23/90/56/337239056.db2.gz PSZACPWAOGNZMO-ZYHUDNBSSA-N 0 0 305.382 0.836 10 0 DCAERN Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596447 337374226 /nfs/dbraw/zinc/37/42/26/337374226.db2.gz FAIVFFBCZSPNKG-UHFFFAOYSA-N 0 0 316.346 0.885 10 0 DCAERN COc1cc2c(cc1C(N)=O)ncnc2OC[C@@H]1CCC(=O)N1 ZINC000584640511 337379997 /nfs/dbraw/zinc/37/99/97/337379997.db2.gz UBAFIZIQDMZRRF-QMMMGPOBSA-N 0 0 316.317 0.395 10 0 DCAERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)C(=O)N1CCOCC2(CC2)C1 ZINC000583893647 337384456 /nfs/dbraw/zinc/38/44/56/337384456.db2.gz IOFNWNFTFVKSNC-KGLIPLIRSA-N 0 0 322.405 0.699 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@H](C)[C@H]1C ZINC000380378262 338530444 /nfs/dbraw/zinc/53/04/44/338530444.db2.gz KXSQRNOMXSILFD-KKOKHZNYSA-N 0 0 305.396 0.767 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1nnnn1-c1ccccc1 ZINC000576046860 341822556 /nfs/dbraw/zinc/82/25/56/341822556.db2.gz VQDFCPBMWKDHEE-LLVKDONJSA-N 0 0 322.394 0.481 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000576404777 341844623 /nfs/dbraw/zinc/84/46/23/341844623.db2.gz PLKGBQNDONHQNZ-RYUDHWBXSA-N 0 0 301.412 0.412 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CC[C@H](C)[C@H](O)C1 ZINC000301956089 533831418 /nfs/dbraw/zinc/83/14/18/533831418.db2.gz LBGSIZVCHPICEG-GXSJLCMTSA-N 0 0 305.338 0.206 10 0 DCAERN C[C@@H]1CC[C@@H](CCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)O1 ZINC000173651167 534155090 /nfs/dbraw/zinc/15/50/90/534155090.db2.gz QFSSFPBKAHSBOU-WOPDTQHZSA-N 0 0 304.412 0.484 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCN(C)C(=O)C3(C)C)c2n1 ZINC000154218426 534370242 /nfs/dbraw/zinc/37/02/42/534370242.db2.gz QRAHXGUZCUEZTB-UHFFFAOYSA-N 0 0 301.350 0.731 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000163286420 518898642 /nfs/dbraw/zinc/89/86/42/518898642.db2.gz ABJCFJJWEASPHC-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CC2)CC1 ZINC000299372808 534402103 /nfs/dbraw/zinc/40/21/03/534402103.db2.gz RVICMCDPVXTTLN-HNNXBMFYSA-N 0 0 316.405 0.573 10 0 DCAERN CC(=O)N(C)c1ccccc1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC000154042948 519462107 /nfs/dbraw/zinc/46/21/07/519462107.db2.gz QNHGMLOGGFXGGS-LLVKDONJSA-N 0 0 320.393 0.674 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000188404090 519484462 /nfs/dbraw/zinc/48/44/62/519484462.db2.gz MHPQXNLDJKFEPW-GFCCVEGCSA-N 0 0 306.366 0.637 10 0 DCAERN CC(C)C(=O)NCCN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000162064307 519490541 /nfs/dbraw/zinc/49/05/41/519490541.db2.gz PSRAHBKMDDGOCM-CYBMUJFWSA-N 0 0 321.425 0.646 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC000188428686 519493884 /nfs/dbraw/zinc/49/38/84/519493884.db2.gz CIALBBCRKBYMAY-OAHLLOKOSA-N 0 0 317.389 0.280 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)C1 ZINC000365075657 519495497 /nfs/dbraw/zinc/49/54/97/519495497.db2.gz ALPGVAMZMMLOAB-UHFFFAOYSA-N 0 0 306.351 0.653 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000408356740 534431363 /nfs/dbraw/zinc/43/13/63/534431363.db2.gz RWZHEHPNGBIJRO-VWYCJHECSA-N 0 0 306.370 0.456 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000366581996 519634517 /nfs/dbraw/zinc/63/45/17/519634517.db2.gz OXCKAPCHOXMHTJ-QKCSRTOESA-N 0 0 314.407 0.314 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557178 534441653 /nfs/dbraw/zinc/44/16/53/534441653.db2.gz KXRMDTTWYLTYOQ-TXEJJXNPSA-N 0 0 302.440 0.752 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000191345381 519647959 /nfs/dbraw/zinc/64/79/59/519647959.db2.gz PQOGUKRZNNEDDH-UHFFFAOYSA-N 0 0 312.329 0.520 10 0 DCAERN CC(=O)NC1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000190471269 519649001 /nfs/dbraw/zinc/64/90/01/519649001.db2.gz BOWXEBNBNAXRCU-UHFFFAOYSA-N 0 0 317.267 0.983 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)C[S@@](=O)C2CCCCC2)C1 ZINC000157149591 534448247 /nfs/dbraw/zinc/44/82/47/534448247.db2.gz LQQYUWJPBSOKCA-YBTHPKLGSA-N 0 0 300.424 0.792 10 0 DCAERN CCN(C(=O)c1coc(Br)c1)[C@@H]1CC(=O)NC1=O ZINC000162615203 520122375 /nfs/dbraw/zinc/12/23/75/520122375.db2.gz UXPKMLXUJNOMTK-SSDOTTSWSA-N 0 0 315.123 0.919 10 0 DCAERN CCN(CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000243254555 520330757 /nfs/dbraw/zinc/33/07/57/520330757.db2.gz KRRDNVBTXRBIJD-CYBMUJFWSA-N 0 0 302.440 0.944 10 0 DCAERN CCCCN(C)C(=O)CS(=O)(=O)CC(=O)NC(C)(C)CC ZINC000154530713 520372510 /nfs/dbraw/zinc/37/25/10/520372510.db2.gz JTRJPCPCJDXDON-UHFFFAOYSA-N 0 0 320.455 0.965 10 0 DCAERN CCOC(=O)C(C)(C)NCCNS(=O)(=O)c1ccccc1 ZINC000118863549 520422778 /nfs/dbraw/zinc/42/27/78/520422778.db2.gz BARGPNGOANMFMQ-UHFFFAOYSA-N 0 0 314.407 0.896 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H](O)C(C)C)cn1 ZINC000157077893 520912231 /nfs/dbraw/zinc/91/22/31/520912231.db2.gz DYBCJHUVNSKYNW-ZDUSSCGKSA-N 0 0 322.409 0.999 10 0 DCAERN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CC(CO)C1 ZINC000184221298 521128564 /nfs/dbraw/zinc/12/85/64/521128564.db2.gz FMZTWJKILAGDKZ-HNNXBMFYSA-N 0 0 304.390 0.965 10 0 DCAERN CCN(CCc1nccs1)C(=O)NCCS(=O)(=O)NC ZINC000187860544 521177095 /nfs/dbraw/zinc/17/70/95/521177095.db2.gz BPYKZYOXUGZMLF-UHFFFAOYSA-N 0 0 320.440 0.266 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)s1 ZINC000190852996 522045972 /nfs/dbraw/zinc/04/59/72/522045972.db2.gz HTDDRLVBEOXELR-UHFFFAOYSA-N 0 0 322.390 0.381 10 0 DCAERN COc1cc(C(=O)N(C)[C@H]2CCOC2)ccc1OCC(N)=O ZINC000263157860 522060712 /nfs/dbraw/zinc/06/07/12/522060712.db2.gz NWCGHXVXBVGVKE-NSHDSACASA-N 0 0 308.334 0.420 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cc(OC)ccc2O)CC1 ZINC000129247311 522203548 /nfs/dbraw/zinc/20/35/48/522203548.db2.gz JFRSVOCKLXZGEB-GFCCVEGCSA-N 0 0 308.378 0.930 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000163573918 522206027 /nfs/dbraw/zinc/20/60/27/522206027.db2.gz YPMRYKUVHXSZFX-GFCCVEGCSA-N 0 0 324.356 0.074 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000364891666 522243789 /nfs/dbraw/zinc/24/37/89/522243789.db2.gz DKJNSNANCQASQI-DCAQKATOSA-N 0 0 307.416 0.133 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000132412239 522315148 /nfs/dbraw/zinc/31/51/48/522315148.db2.gz CHFPSBCSJZUHQA-JGVFFNPUSA-N 0 0 306.409 0.403 10 0 DCAERN COc1cc(CNC(=O)N2CC(NC(=O)C3CC3)C2)ccn1 ZINC000190124263 522416405 /nfs/dbraw/zinc/41/64/05/522416405.db2.gz YIEVKFNGDZNVAO-UHFFFAOYSA-N 0 0 304.350 0.510 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000163573825 522552963 /nfs/dbraw/zinc/55/29/63/522552963.db2.gz YPMRYKUVHXSZFX-LBPRGKRZSA-N 0 0 324.356 0.074 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000128040051 522718365 /nfs/dbraw/zinc/71/83/65/522718365.db2.gz VAUJLTJUZNEJEO-OLZOCXBDSA-N 0 0 324.377 0.799 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000130126766 522720641 /nfs/dbraw/zinc/72/06/41/522720641.db2.gz JNKWIROKDVQBPR-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C)c1ccco1 ZINC000245423891 522757935 /nfs/dbraw/zinc/75/79/35/522757935.db2.gz RMEVDAYZZYIYCZ-SRVKXCTJSA-N 0 0 318.395 0.911 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000188540974 522758825 /nfs/dbraw/zinc/75/88/25/522758825.db2.gz RBJJPBHIORBRBL-KGLIPLIRSA-N 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/nfs/dbraw/zinc/47/97/59/523479759.db2.gz QOWLAAQXMNRTDX-GFCCVEGCSA-N 0 0 306.366 0.329 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157591592 523639097 /nfs/dbraw/zinc/63/90/97/523639097.db2.gz KGFJHAMHYLQZQJ-TUMIKQJQSA-N 0 0 324.402 0.529 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1nsc(N(C)C)n1 ZINC000249326515 523810087 /nfs/dbraw/zinc/81/00/87/523810087.db2.gz GZEHQNXBPQNGJQ-WPRPVWTQSA-N 0 0 300.384 0.102 10 0 DCAERN CN1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1=O ZINC000152939819 523883581 /nfs/dbraw/zinc/88/35/81/523883581.db2.gz CMAKZOUOILSDHB-UHFFFAOYSA-N 0 0 317.267 0.937 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000188729566 523907691 /nfs/dbraw/zinc/90/76/91/523907691.db2.gz VRJMKEXIPVCZLP-AWEZNQCLSA-N 0 0 306.362 0.941 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)CCC1=O ZINC000162902486 524023495 /nfs/dbraw/zinc/02/34/95/524023495.db2.gz YUWWQFOVZMMAJW-GHMZBOCLSA-N 0 0 324.406 0.847 10 0 DCAERN COCCO[C@H]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000189491076 524036372 /nfs/dbraw/zinc/03/63/72/524036372.db2.gz JBXFGZPIKCYFMQ-LBPRGKRZSA-N 0 0 319.361 0.594 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122352864 524266046 /nfs/dbraw/zinc/26/60/46/524266046.db2.gz UCSHCSKNDBVALF-LBPRGKRZSA-N 0 0 324.402 0.887 10 0 DCAERN COc1ccc(F)cc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000186724693 524312021 /nfs/dbraw/zinc/31/20/21/524312021.db2.gz MUTCYATWHSOTJC-NSHDSACASA-N 0 0 316.354 0.821 10 0 DCAERN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000249581632 524537885 /nfs/dbraw/zinc/53/78/85/524537885.db2.gz RHMWEXXXUSJVSF-JKSUJKDBSA-N 0 0 319.449 0.998 10 0 DCAERN C[C@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCS1(=O)=O ZINC000247144688 524604352 /nfs/dbraw/zinc/60/43/52/524604352.db2.gz RLPSMKKQWIASPH-WCQYABFASA-N 0 0 317.382 0.684 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(C(N)=O)c1 ZINC000119740447 524643641 /nfs/dbraw/zinc/64/36/41/524643641.db2.gz OIXWGZWXVCYDTC-KOLCDFICSA-N 0 0 304.350 0.903 10 0 DCAERN COc1ccccc1OC[C@@H](C)CNC(=O)[C@@H]1CNC(=O)C1 ZINC000134978950 524678317 /nfs/dbraw/zinc/67/83/17/524678317.db2.gz MFINRADGXJAEER-RYUDHWBXSA-N 0 0 306.362 0.962 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249097470 524777731 /nfs/dbraw/zinc/77/77/31/524777731.db2.gz YWENKQLUFAIIQL-RYUDHWBXSA-N 0 0 308.378 0.928 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000131600754 524807400 /nfs/dbraw/zinc/80/74/00/524807400.db2.gz HTYBTDHUVHVKQS-NWDGAFQWSA-N 0 0 305.378 0.863 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000126866818 524810214 /nfs/dbraw/zinc/81/02/14/524810214.db2.gz MOBGLADSILKSOV-JGVFFNPUSA-N 0 0 320.798 0.734 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@H](C)O1 ZINC000246058515 525046024 /nfs/dbraw/zinc/04/60/24/525046024.db2.gz VVDWGCPRVAMQLA-VJTDZRGJSA-N 0 0 318.439 0.888 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@H]3CN4CCN3CC4)cc2c1 ZINC000189524243 525478171 /nfs/dbraw/zinc/47/81/71/525478171.db2.gz BPQSDCLHKBRPSZ-ZDUSSCGKSA-N 0 0 314.389 0.906 10 0 DCAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000129263272 525491394 /nfs/dbraw/zinc/49/13/94/525491394.db2.gz PVAZHFBLTCBINJ-VXGBXAGGSA-N 0 0 324.402 0.410 10 0 DCAERN Cc1cccnc1[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC000155976508 525546186 /nfs/dbraw/zinc/54/61/86/525546186.db2.gz MTYZJJCUEDSJKA-JQWIXIFHSA-N 0 0 304.350 0.801 10 0 DCAERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000176538342 525711988 /nfs/dbraw/zinc/71/19/88/525711988.db2.gz SZIZOSVULDIEFX-DGCLKSJQSA-N 0 0 301.346 0.943 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000152500167 525722138 /nfs/dbraw/zinc/72/21/38/525722138.db2.gz FHZIVNIIXFIUCX-QOBDMFJFSA-N 0 0 304.346 0.700 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000152935339 525738284 /nfs/dbraw/zinc/73/82/84/525738284.db2.gz YMCJWFJTTPCLQK-QMTHXVAHSA-N 0 0 314.332 0.523 10 0 DCAERN C[C@@]1(O)CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000188427275 525885366 /nfs/dbraw/zinc/88/53/66/525885366.db2.gz BBCUUGIPIJCMEC-IUODEOHRSA-N 0 0 305.382 0.612 10 0 DCAERN Cc1cnc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154476244 525975513 /nfs/dbraw/zinc/97/55/13/525975513.db2.gz DNBSTWCDUGCVHB-LBPRGKRZSA-N 0 0 300.366 0.917 10 0 DCAERN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)CC1(CO)CC1 ZINC000190016236 526134319 /nfs/dbraw/zinc/13/43/19/526134319.db2.gz QWOWMWUUUMOXEA-LLVKDONJSA-N 0 0 305.378 0.817 10 0 DCAERN CC(=O)C1(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)CC1 ZINC000294655396 526394053 /nfs/dbraw/zinc/39/40/53/526394053.db2.gz KLXCVKOGJJEOCW-UHFFFAOYSA-N 0 0 303.318 0.890 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCOC1CCOCC1 ZINC000332568890 526678259 /nfs/dbraw/zinc/67/82/59/526678259.db2.gz VZJGQDYKTSIGRW-CYBMUJFWSA-N 0 0 316.423 0.610 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCCC[C@@H]1O ZINC000130362163 526692553 /nfs/dbraw/zinc/69/25/53/526692553.db2.gz QHFGCTJUDKZDML-KGLIPLIRSA-N 0 0 316.361 0.601 10 0 DCAERN O=C(NCc1ccccc1CN1CCOCC1)N1CC(CO)C1 ZINC000190550323 526745289 /nfs/dbraw/zinc/74/52/89/526745289.db2.gz LKLZHUNRHGTGBX-UHFFFAOYSA-N 0 0 319.405 0.653 10 0 DCAERN O=C(CNC(=O)Cn1cnc2ccccc2c1=O)NCC1CC1 ZINC000183520297 526835709 /nfs/dbraw/zinc/83/57/09/526835709.db2.gz XWCZTWQDTUUFAE-UHFFFAOYSA-N 0 0 314.345 0.039 10 0 DCAERN O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@]2(CCOC2)C1 ZINC000186097901 526888971 /nfs/dbraw/zinc/88/89/71/526888971.db2.gz KZPYDMUYQSYEPG-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)NC[C@@H]2CN3CCN2CC3)n1 ZINC000178730767 526900615 /nfs/dbraw/zinc/90/06/15/526900615.db2.gz KHSICHFBLIYRMX-GFCCVEGCSA-N 0 0 321.425 0.416 10 0 DCAERN NC(=O)NC(=O)CN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158192474 526926422 /nfs/dbraw/zinc/92/64/22/526926422.db2.gz CGCRZCWYGOJTIC-UHFFFAOYSA-N 0 0 320.176 0.983 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)O1 ZINC000154339704 527011427 /nfs/dbraw/zinc/01/14/27/527011427.db2.gz PCACTOKJSZTILP-DGCLKSJQSA-N 0 0 321.381 0.332 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000119913759 527037863 /nfs/dbraw/zinc/03/78/63/527037863.db2.gz HBLWSWVPIFGOFS-UHFFFAOYSA-N 0 0 321.720 0.815 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCc2cccc(N)c2)c1 ZINC000158307448 527088524 /nfs/dbraw/zinc/08/85/24/527088524.db2.gz DZQGBENOLTWLQU-UHFFFAOYSA-N 0 0 305.359 0.846 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000185550213 527198903 /nfs/dbraw/zinc/19/89/03/527198903.db2.gz IIEMDRTXYWUARQ-OAHLLOKOSA-N 0 0 308.309 0.782 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3ccc(=O)n(C)c3)C2)cn1 ZINC000154139181 527246836 /nfs/dbraw/zinc/24/68/36/527246836.db2.gz XWDXVEQEWSVANL-ZDUSSCGKSA-N 0 0 315.377 0.518 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C2 ZINC000372217499 527318563 /nfs/dbraw/zinc/31/85/63/527318563.db2.gz QBKXZAVDWGDRQP-GXFFZTMASA-N 0 0 310.423 0.961 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000154641044 527447470 /nfs/dbraw/zinc/44/74/70/527447470.db2.gz DAVBPUDQXWAHFB-GFCCVEGCSA-N 0 0 316.365 0.555 10 0 DCAERN Cc1nccnc1[C@@H](C)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205178 527454984 /nfs/dbraw/zinc/45/49/84/527454984.db2.gz STKWGQSTOKRFCL-DGCLKSJQSA-N 0 0 300.366 0.975 10 0 DCAERN O=C(NC1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1)C1CC1 ZINC000189432252 527542372 /nfs/dbraw/zinc/54/23/72/527542372.db2.gz JALMXRBICMBEGW-AWEZNQCLSA-N 0 0 314.341 0.505 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCCn3ncnc32)C1)C1CCC1 ZINC000188890120 527542480 /nfs/dbraw/zinc/54/24/80/527542480.db2.gz KCTOZQADEXNNSP-GFCCVEGCSA-N 0 0 318.381 0.423 10 0 DCAERN Cn1nnc2ccc(C(=O)N(CCS(C)(=O)=O)C3CC3)cc21 ZINC000185548193 527646859 /nfs/dbraw/zinc/64/68/59/527646859.db2.gz AOMIWMPJQICMPD-UHFFFAOYSA-N 0 0 322.390 0.618 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC000176358346 527951325 /nfs/dbraw/zinc/95/13/25/527951325.db2.gz FFZWSEBCRPMNKQ-KBPBESRZSA-N 0 0 309.410 0.762 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)[C@H](C)COC)C1 ZINC000246715830 527955090 /nfs/dbraw/zinc/95/50/90/527955090.db2.gz NRDVRUBIAARYNT-NEPJUHHUSA-N 0 0 306.428 0.732 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2nc3c(s2)COCC3)C1 ZINC000178230457 528049063 /nfs/dbraw/zinc/04/90/63/528049063.db2.gz NHEKPXOPBDTJTK-UHFFFAOYSA-N 0 0 310.379 0.816 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000153313228 528613247 /nfs/dbraw/zinc/61/32/47/528613247.db2.gz CLIQTCUNFJXPMD-JTQLQIEISA-N 0 0 321.424 0.272 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000166877867 528806592 /nfs/dbraw/zinc/80/65/92/528806592.db2.gz CEEMAZSKRXILJD-UPJWGTAASA-N 0 0 318.439 0.420 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)CCO ZINC000177840833 528809092 /nfs/dbraw/zinc/80/90/92/528809092.db2.gz WAOVJCPZQTZGLN-LBPRGKRZSA-N 0 0 320.455 0.715 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000178053772 528811685 /nfs/dbraw/zinc/81/16/85/528811685.db2.gz IAFFBXIPLPWWRJ-YPMHNXCESA-N 0 0 318.439 0.874 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NCCNC(=O)C(C)C ZINC000178882302 528839423 /nfs/dbraw/zinc/83/94/23/528839423.db2.gz UUJSOEVNRTXIJP-GFCCVEGCSA-N 0 0 314.430 0.753 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408396457 528840528 /nfs/dbraw/zinc/84/05/28/528840528.db2.gz PLYMURYKBIFZQO-TUAOUCFPSA-N 0 0 304.412 0.198 10 0 DCAERN CC(C)[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)C(=O)N1CCOCC1 ZINC000189107237 529105833 /nfs/dbraw/zinc/10/58/33/529105833.db2.gz JTSHKQUESYASTL-RDBSUJKOSA-N 0 0 312.410 0.801 10 0 DCAERN CC(C)(C(=O)N1CCC[C@@](O)(C(N)=O)C1)c1cccc(F)c1 ZINC000285410402 535017567 /nfs/dbraw/zinc/01/75/67/535017567.db2.gz HLTXIHMYFHDMEJ-INIZCTEOSA-N 0 0 308.353 0.942 10 0 DCAERN CCC1(C(=O)N2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000275600182 535231858 /nfs/dbraw/zinc/23/18/58/535231858.db2.gz HWPYTKJWYZNHQU-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N(C)CCCOC ZINC000487409364 535429606 /nfs/dbraw/zinc/42/96/06/535429606.db2.gz NPBORIQXQIMAGW-GHMZBOCLSA-N 0 0 317.386 0.121 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)CC1=O ZINC000284731755 535778661 /nfs/dbraw/zinc/77/86/61/535778661.db2.gz TYKFGQLFKAPDKX-VXGBXAGGSA-N 0 0 321.381 0.062 10 0 DCAERN CN1CC[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC000285655340 536480105 /nfs/dbraw/zinc/48/01/05/536480105.db2.gz GEHCLZAJHOUAII-WDEREUQCSA-N 0 0 309.391 0.392 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000457684493 536880125 /nfs/dbraw/zinc/88/01/25/536880125.db2.gz YPWSGZNVMDQISU-UHFFFAOYSA-N 0 0 320.345 0.058 10 0 DCAERN C[C@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)N1CCOCC1 ZINC000103003177 545731319 /nfs/dbraw/zinc/73/13/19/545731319.db2.gz PTQVRMQWAHQOJO-JTQLQIEISA-N 0 0 324.402 0.798 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(C)(C)CO ZINC000119752948 545742205 /nfs/dbraw/zinc/74/22/05/545742205.db2.gz BJOPPFBJFGHURT-NSHDSACASA-N 0 0 306.428 0.325 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000119943409 545742484 /nfs/dbraw/zinc/74/24/84/545742484.db2.gz KQNFUFKAYXXUPY-LPWJVIDDSA-N 0 0 308.378 0.797 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC1(CCO)CCC1 ZINC000122273301 545750884 /nfs/dbraw/zinc/75/08/84/545750884.db2.gz LHDPNIFGLVBEJG-CHWSQXEVSA-N 0 0 322.405 0.831 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCOCC(F)(F)F ZINC000155870875 545846390 /nfs/dbraw/zinc/84/63/90/545846390.db2.gz QQXNQBUPQSEREO-VIFPVBQESA-N 0 0 311.304 0.875 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1CCCO1 ZINC000177825614 545893050 /nfs/dbraw/zinc/89/30/50/545893050.db2.gz JIBVOTHIYJSOKO-MFKMUULPSA-N 0 0 306.366 0.915 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180607033 545900972 /nfs/dbraw/zinc/90/09/72/545900972.db2.gz UBEJIRDLKZSVLN-UHFFFAOYSA-N 0 0 302.212 0.591 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnc3c(cnn3C)c2OC)C1 ZINC000183454874 545908489 /nfs/dbraw/zinc/90/84/89/545908489.db2.gz JBFCZGRZQJQVQH-UHFFFAOYSA-N 0 0 317.349 0.185 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000184331070 545910405 /nfs/dbraw/zinc/91/04/05/545910405.db2.gz PUADONWAJBGANE-MNOVXSKESA-N 0 0 317.436 0.772 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000184992427 545912029 /nfs/dbraw/zinc/91/20/29/545912029.db2.gz NQENLKOPJGIPJX-CQSZACIVSA-N 0 0 322.409 0.688 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000188857119 545917749 /nfs/dbraw/zinc/91/77/49/545917749.db2.gz JNOUIJABMZBPGB-CMPLNLGQSA-N 0 0 301.346 0.849 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000191306461 545925606 /nfs/dbraw/zinc/92/56/06/545925606.db2.gz HCAUDZBVKUEVMG-HNNXBMFYSA-N 0 0 323.437 0.350 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000191306422 545925900 /nfs/dbraw/zinc/92/59/00/545925900.db2.gz FPFKUPVCKAXQSG-OAHLLOKOSA-N 0 0 323.437 0.350 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)nn1-c1ccccc1 ZINC000191988601 545927094 /nfs/dbraw/zinc/92/70/94/545927094.db2.gz HGPXIIVPDDVUKP-BBRMVZONSA-N 0 0 315.373 0.996 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2coc(C3CCC3)n2)C1 ZINC000192586645 545927914 /nfs/dbraw/zinc/92/79/14/545927914.db2.gz HVSIVANJUFKKIV-SNVBAGLBSA-N 0 0 313.379 0.706 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000193479401 545930961 /nfs/dbraw/zinc/93/09/61/545930961.db2.gz XMTWGWCWZXLYAT-RQJABVFESA-N 0 0 312.435 0.855 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)C(=O)C2)cc1C ZINC000194189742 545932512 /nfs/dbraw/zinc/93/25/12/545932512.db2.gz HVMPGZCEKAMNLL-CQSZACIVSA-N 0 0 317.389 0.770 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)no1 ZINC000246101350 545963086 /nfs/dbraw/zinc/96/30/86/545963086.db2.gz WKKIDNJYGQQMMX-YPMHNXCESA-N 0 0 308.382 0.980 10 0 DCAERN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@](O)(CO)C1 ZINC000313792563 546024259 /nfs/dbraw/zinc/02/42/59/546024259.db2.gz KFTRNHNPNWUBTI-GFCCVEGCSA-N 0 0 323.773 0.987 10 0 DCAERN Cc1cc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)ncn1 ZINC000328643802 546038320 /nfs/dbraw/zinc/03/83/20/546038320.db2.gz YYHGVGSQNOLBSV-GFCCVEGCSA-N 0 0 300.366 0.960 10 0 DCAERN O=C(C[C@@H]1CCCS(=O)(=O)C1)NC[C@@H]1CCCC[C@@H]1O ZINC000332759031 546059362 /nfs/dbraw/zinc/05/93/62/546059362.db2.gz UCCZBLHZMHIICZ-AVGNSLFASA-N 0 0 303.424 0.869 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1=O ZINC000332843006 546063561 /nfs/dbraw/zinc/06/35/61/546063561.db2.gz DCOJBWYCIOYAQD-SAAVVOQKSA-N 0 0 308.378 0.163 10 0 DCAERN Cc1nc([C@@H](C)NC(=O)N2CCN3C(=O)NC[C@H]3C2)cs1 ZINC000332921237 546065629 /nfs/dbraw/zinc/06/56/29/546065629.db2.gz BUMALPSGLPWWHX-SCZZXKLOSA-N 0 0 309.395 0.932 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCNC1=O ZINC000333733578 546090791 /nfs/dbraw/zinc/09/07/91/546090791.db2.gz QAPVBQDIJMEZCN-VHSXEESVSA-N 0 0 306.370 0.253 10 0 DCAERN O=c1[nH]ccc2ccc(NS(=O)(=O)N3CCOCC3)cc21 ZINC000333826135 546093017 /nfs/dbraw/zinc/09/30/17/546093017.db2.gz LQBVHXLLYIQURL-UHFFFAOYSA-N 0 0 309.347 0.929 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@H](F)C3)C2=O)cn1 ZINC000333984182 546097100 /nfs/dbraw/zinc/09/71/00/546097100.db2.gz FHDUPPXEZWITGI-JQWIXIFHSA-N 0 0 309.345 0.669 10 0 DCAERN CO[C@]1(CO)CCCN(Cc2nnnn2Cc2ccccc2)C1 ZINC000401773341 546225545 /nfs/dbraw/zinc/22/55/45/546225545.db2.gz KYIVXLUSHJDPOD-MRXNPFEDSA-N 0 0 317.393 0.695 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCC[C@@](CO)(OC)C1 ZINC000401887705 546226456 /nfs/dbraw/zinc/22/64/56/546226456.db2.gz LVVRDEDVWDBGNP-CYBMUJFWSA-N 0 0 308.444 0.827 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1C ZINC000611935368 546314251 /nfs/dbraw/zinc/31/42/51/546314251.db2.gz OZLZEJOPGDVJRZ-UHFFFAOYSA-N 0 0 324.362 0.389 10 0 DCAERN C[C@H](CN[C@H]1CCS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000681394949 548244827 /nfs/dbraw/zinc/24/48/27/548244827.db2.gz YEDCTNNNYWXBCP-PWSUYJOCSA-N 0 0 317.432 0.928 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000089904395 658398141 /nfs/dbraw/zinc/39/81/41/658398141.db2.gz KXFBFZPYQXETGM-WDEREUQCSA-N 0 0 300.384 0.006 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)C(C)C ZINC000178455353 660450610 /nfs/dbraw/zinc/45/06/10/660450610.db2.gz KRDMJRQHIKYYGK-CHWSQXEVSA-N 0 0 311.357 0.929 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccnc1Cl ZINC000125827247 660898163 /nfs/dbraw/zinc/89/81/63/660898163.db2.gz PLGOUKHBCUPTFN-SNVBAGLBSA-N 0 0 314.773 0.550 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888093806 661158267 /nfs/dbraw/zinc/15/82/67/661158267.db2.gz UMVSDLIFPCRMMB-NWDGAFQWSA-N 0 0 306.322 0.601 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000318052047 661162563 /nfs/dbraw/zinc/16/25/63/661162563.db2.gz FQPRMSJDPWARGQ-UHFFFAOYSA-N 0 0 301.346 0.876 10 0 DCAERN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC1(CO)CC1 ZINC000255126629 657611899 /nfs/dbraw/zinc/61/18/99/657611899.db2.gz GFQDANGALAMERV-XFFZJAGNSA-N 0 0 324.402 0.608 10 0 DCAERN Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)nc1 ZINC000238974295 665505764 /nfs/dbraw/zinc/50/57/64/665505764.db2.gz ZRRCXAXTRGACNN-GFCCVEGCSA-N 0 0 314.345 0.777 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)[C@H]1C ZINC000255580455 657933793 /nfs/dbraw/zinc/93/37/93/657933793.db2.gz NCQLJPUHBZIQRB-GHMZBOCLSA-N 0 0 305.382 0.035 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725004231 658015541 /nfs/dbraw/zinc/01/55/41/658015541.db2.gz JAUQKPWINUMKPI-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN Cc1ccc(NC(=O)C[C@H]2CNCCS2(=O)=O)cc1F ZINC000725061470 658096174 /nfs/dbraw/zinc/09/61/74/658096174.db2.gz QBTHAWVVRHROTF-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN COCc1nn(CN2CCC[C@@H](Cc3noc(C)n3)C2)c(=O)o1 ZINC000119656467 658183108 /nfs/dbraw/zinc/18/31/08/658183108.db2.gz ASHZYAALYXHAMS-NSHDSACASA-N 0 0 323.353 0.586 10 0 DCAERN COCCN([C@@H](C)C(N)=O)S(=O)(=O)/C=C\c1ccccc1 ZINC000255008317 658199961 /nfs/dbraw/zinc/19/99/61/658199961.db2.gz CYJYZQCFJFOJLI-KGTBHZDVSA-N 0 0 312.391 0.809 10 0 DCAERN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)O ZINC000346429198 658286025 /nfs/dbraw/zinc/28/60/25/658286025.db2.gz YOJQXBPXKBADOL-ZJUUUORDSA-N 0 0 300.380 0.436 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCC[C@@](O)(CO)C1 ZINC000722701216 658426081 /nfs/dbraw/zinc/42/60/81/658426081.db2.gz WCXYUGQLIFDFMD-NHYWBVRUSA-N 0 0 314.382 0.342 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724549255 658450469 /nfs/dbraw/zinc/45/04/69/658450469.db2.gz YUOTVJCPVSGMRY-VWYCJHECSA-N 0 0 301.368 0.109 10 0 DCAERN CCN(CCS(C)(=O)=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000156966100 658475978 /nfs/dbraw/zinc/47/59/78/658475978.db2.gz ORMBSCPUBNJNOU-RYUDHWBXSA-N 0 0 314.407 0.262 10 0 DCAERN Cn1c2ccncc2n(CN2CC[C@H](N3CCOCC3)C2)c1=O ZINC000161394955 658682254 /nfs/dbraw/zinc/68/22/54/658682254.db2.gz HUDFPDIUHIIOOZ-ZDUSSCGKSA-N 0 0 317.393 0.099 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000344884255 658686740 /nfs/dbraw/zinc/68/67/40/658686740.db2.gz NNTIOZZDUFPCAR-UWVGGRQHSA-N 0 0 300.380 0.370 10 0 DCAERN Cc1ccncc1[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 ZINC000888078085 658722197 /nfs/dbraw/zinc/72/21/97/658722197.db2.gz NDMBEQDIMYBPDZ-CYBMUJFWSA-N 0 0 311.407 0.756 10 0 DCAERN O=CN1CCC(OC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000181904046 659086296 /nfs/dbraw/zinc/08/62/96/659086296.db2.gz XXKNMQOTSKKKQL-VIFPVBQESA-N 0 0 322.283 0.561 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](CO)C2)c1Cl ZINC000311404166 659285667 /nfs/dbraw/zinc/28/56/67/659285667.db2.gz IIPDEXNCGRHIIH-RKDXNWHRSA-N 0 0 307.803 0.903 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)C2COC2)cn1 ZINC000276957446 659363314 /nfs/dbraw/zinc/36/33/14/659363314.db2.gz PLBHXCXELRPSCC-NWDGAFQWSA-N 0 0 301.368 0.051 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N(Cc1ccccc1)C1CC1 ZINC000309579397 659417419 /nfs/dbraw/zinc/41/74/19/659417419.db2.gz ZGZRGCOZPWFETE-CQSZACIVSA-N 0 0 322.430 0.954 10 0 DCAERN Cc1cc(-n2cc(COC(=O)[C@H]3CNC(=O)C3)nn2)ccc1F ZINC000193808089 659462789 /nfs/dbraw/zinc/46/27/89/659462789.db2.gz AYQFGBPDLQWNAN-SNVBAGLBSA-N 0 0 318.308 0.894 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000194169168 659483528 /nfs/dbraw/zinc/48/35/28/659483528.db2.gz QVIJLGKNIFPHKH-BDAKNGLRSA-N 0 0 300.309 0.922 10 0 DCAERN NC(=O)Cc1csc(NC(=O)[C@H]2CCc3nc[nH]c3C2)n1 ZINC000220550894 661516041 /nfs/dbraw/zinc/51/60/41/661516041.db2.gz MRVMHJWERZSAFJ-ZETCQYMHSA-N 0 0 305.363 0.638 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O ZINC000248728387 661529456 /nfs/dbraw/zinc/52/94/56/661529456.db2.gz JJLGDMLZAZZJNN-MEBBXXQBSA-N 0 0 310.398 0.511 10 0 DCAERN O=C(NCCO)[C@H]1CN(C(=O)c2ccco2)Cc2cccnc21 ZINC000222673494 661626566 /nfs/dbraw/zinc/62/65/66/661626566.db2.gz OMJWSPKHJPGVEC-LBPRGKRZSA-N 0 0 315.329 0.523 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000338932307 661807105 /nfs/dbraw/zinc/80/71/05/661807105.db2.gz BDVWIUDFHYCZCI-LBPRGKRZSA-N 0 0 307.375 0.663 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ncccc1N(C)C ZINC000356952550 665801045 /nfs/dbraw/zinc/80/10/45/665801045.db2.gz SVXPPGQWWMRARA-ZDUSSCGKSA-N 0 0 308.407 0.685 10 0 DCAERN O=C1C[C@H](CNc2ncc(I)cn2)CN1 ZINC000307573456 662023935 /nfs/dbraw/zinc/02/39/35/662023935.db2.gz GFEVTCLHQOQLDH-LURJTMIESA-N 0 0 318.118 0.629 10 0 DCAERN C#CCCCNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000184743557 662097304 /nfs/dbraw/zinc/09/73/04/662097304.db2.gz BSXDZWJTEBKEKQ-NSHDSACASA-N 0 0 319.386 0.643 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)CSc2cccc[n+]2[O-])C1 ZINC000727160270 662143308 /nfs/dbraw/zinc/14/33/08/662143308.db2.gz YTENKWOXEZLYRC-NSHDSACASA-N 0 0 310.375 0.824 10 0 DCAERN Cc1csc([C@H](C)NC(=O)CCn2cc[nH]c(=O)c2=O)n1 ZINC000727858959 662256363 /nfs/dbraw/zinc/25/63/63/662256363.db2.gz LLTYIHFCZREBNY-VIFPVBQESA-N 0 0 308.363 0.569 10 0 DCAERN COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CSC(=O)N1 ZINC000098018143 662268016 /nfs/dbraw/zinc/26/80/16/662268016.db2.gz WDCBGAAMYOROTF-ZJUUUORDSA-N 0 0 316.379 0.382 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(C)=O)CC1(C)C ZINC000341457888 662374223 /nfs/dbraw/zinc/37/42/23/662374223.db2.gz BHDHYISICDYRAF-GFCCVEGCSA-N 0 0 313.423 0.377 10 0 DCAERN CN1C[C@H](C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CC1=O ZINC000899074820 663123014 /nfs/dbraw/zinc/12/30/14/663123014.db2.gz NDEQJQLYBYBFQM-NEPJUHHUSA-N 0 0 303.366 0.407 10 0 DCAERN C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1C ZINC000042209175 663141041 /nfs/dbraw/zinc/14/10/41/663141041.db2.gz QLZRTBKOILATIR-LBPRGKRZSA-N 0 0 302.330 0.406 10 0 DCAERN O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000900251984 663229749 /nfs/dbraw/zinc/22/97/49/663229749.db2.gz PBHVPCSQUXLANQ-RQJABVFESA-N 0 0 306.366 0.758 10 0 DCAERN O=C(Cc1ccn(-c2ccccc2)n1)N1CCOC[C@@H]1CO ZINC000912420705 664174086 /nfs/dbraw/zinc/17/40/86/664174086.db2.gz MKDQEGLFCVZRNJ-HNNXBMFYSA-N 0 0 301.346 0.635 10 0 DCAERN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912422369 664174360 /nfs/dbraw/zinc/17/43/60/664174360.db2.gz PIYZJFVCJAXDJU-GXTWGEPZSA-N 0 0 304.346 0.259 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000912422372 664174398 /nfs/dbraw/zinc/17/43/98/664174398.db2.gz PIYZJFVCJAXDJU-OCCSQVGLSA-N 0 0 304.346 0.259 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000163625029 664241357 /nfs/dbraw/zinc/24/13/57/664241357.db2.gz ZZQXGMAMJJQINW-GHMZBOCLSA-N 0 0 321.381 0.344 10 0 DCAERN CC(=O)OC1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000156887343 664394614 /nfs/dbraw/zinc/39/46/14/664394614.db2.gz OFDCUHGLBDTCBF-ZIAGYGMSSA-N 0 0 306.362 0.923 10 0 DCAERN Clc1nc2nc[nH]c2c(N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000165488948 664417130 /nfs/dbraw/zinc/41/71/30/664417130.db2.gz BJRWTLSYJZQSBJ-SECBINFHSA-N 0 0 308.773 0.917 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccc(C(=O)OC)o1 ZINC000735102678 666952842 /nfs/dbraw/zinc/95/28/42/666952842.db2.gz GHCDEENVTASZOF-FQEVSTJZSA-N 0 0 302.352 0.634 10 0 DCAERN CC(=O)NC[C@@H](C)OC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000157418392 664470628 /nfs/dbraw/zinc/47/06/28/664470628.db2.gz LWOFVEOYBDFUKO-APPZFPTMSA-N 0 0 310.272 0.465 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCC[C@@H]1CO ZINC000225662355 664489575 /nfs/dbraw/zinc/48/95/75/664489575.db2.gz AAIIZEXXNJDTDA-UTUOFQBUSA-N 0 0 321.464 0.574 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1CO)c1cccs1 ZINC000168477907 664524001 /nfs/dbraw/zinc/52/40/01/664524001.db2.gz LEYIUYHMDSSJMV-VXGBXAGGSA-N 0 0 312.391 0.535 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@@H]1C ZINC000227813142 664539078 /nfs/dbraw/zinc/53/90/78/664539078.db2.gz WEUXBACCJDHBQT-NWDGAFQWSA-N 0 0 304.412 0.848 10 0 DCAERN Cc1sc(=O)n(CCC(=O)O[C@H]2CCS(=O)(=O)C2)c1C ZINC000172187470 664617364 /nfs/dbraw/zinc/61/73/64/664617364.db2.gz YETMDQORMXHWHZ-JTQLQIEISA-N 0 0 319.404 0.647 10 0 DCAERN Cc1nn(C)cc1NC(=O)CCNS(=O)(=O)c1cccnc1 ZINC000172857670 664625227 /nfs/dbraw/zinc/62/52/27/664625227.db2.gz QABXOGOCGISMAC-UHFFFAOYSA-N 0 0 323.378 0.431 10 0 DCAERN O=C1NCCC[C@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000311629221 664672424 /nfs/dbraw/zinc/67/24/24/664672424.db2.gz YSZOKGJMJCZRTN-MRVPVSSYSA-N 0 0 307.734 0.431 10 0 DCAERN COC(=O)[C@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 ZINC000151649840 664710220 /nfs/dbraw/zinc/71/02/20/664710220.db2.gz SXNBWMQOICTBDE-NSHDSACASA-N 0 0 302.334 0.634 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OC[C@@H]1CCOC1 ZINC000130213382 664751561 /nfs/dbraw/zinc/75/15/61/664751561.db2.gz AVEVDPOOXDDQNH-SNVBAGLBSA-N 0 0 304.302 0.270 10 0 DCAERN Nc1nc(N)nc(COC(=O)C2(c3ccc(F)cc3)CC2)n1 ZINC000031590131 664774700 /nfs/dbraw/zinc/77/47/00/664774700.db2.gz REUULJQCHDEPSB-UHFFFAOYSA-N 0 0 303.297 0.950 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000324289743 664789279 /nfs/dbraw/zinc/78/92/79/664789279.db2.gz RSCBYFCGXYFZTO-VHSXEESVSA-N 0 0 309.453 0.430 10 0 DCAERN CC(C)[C@H](OC(=O)Cn1ncc2ccccc21)C(=O)NC(N)=O ZINC000730636560 664798783 /nfs/dbraw/zinc/79/87/83/664798783.db2.gz IWLQUTICZVKQGH-ZDUSSCGKSA-N 0 0 318.333 0.799 10 0 DCAERN COCC(=O)N[C@H](C(=O)OCC(=O)N(C)CC1CC1)C(C)C ZINC000741364182 664822994 /nfs/dbraw/zinc/82/29/94/664822994.db2.gz TWPUXCNZULFNSC-AWEZNQCLSA-N 0 0 314.382 0.185 10 0 DCAERN CC(C)COCCC(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731143971 664840695 /nfs/dbraw/zinc/84/06/95/664840695.db2.gz HUTBHPBHZRLDPF-UHFFFAOYSA-N 0 0 310.416 0.331 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCN1CCSCC1 ZINC000732777247 664959520 /nfs/dbraw/zinc/95/95/20/664959520.db2.gz KZBQJOXEPYVCHQ-LLVKDONJSA-N 0 0 303.453 0.073 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NC2CCN(CCS(C)(=O)=O)CC2)O1 ZINC000153835675 665058707 /nfs/dbraw/zinc/05/87/07/665058707.db2.gz VOXDOSSLCFXQLG-WCQYABFASA-N 0 0 318.439 0.179 10 0 DCAERN CNc1ncc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000155182210 665258376 /nfs/dbraw/zinc/25/83/76/665258376.db2.gz NZSVCPJMWMRLQT-SNVBAGLBSA-N 0 0 307.379 0.923 10 0 DCAERN CO[C@H](C)CC(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175180701 665315281 /nfs/dbraw/zinc/31/52/81/665315281.db2.gz JTILUAJYESHECV-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H](C)N2CCc3ccccc32)C1 ZINC000186313492 665392901 /nfs/dbraw/zinc/39/29/01/665392901.db2.gz FVLVFTYADWYKDY-LBPRGKRZSA-N 0 0 317.389 0.411 10 0 DCAERN Cc1nnc(COC(=O)c2cc(C(N)=O)cn2C)n1C1CC1 ZINC000179658500 665393135 /nfs/dbraw/zinc/39/31/35/665393135.db2.gz QWRAXNWEDABWNO-UHFFFAOYSA-N 0 0 303.322 0.716 10 0 DCAERN Cc1nn(CN2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000183345286 666028153 /nfs/dbraw/zinc/02/81/53/666028153.db2.gz GPXBNWAQXHHUJX-LBPRGKRZSA-N 0 0 306.326 0.655 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H](O)c1cccc(F)c1 ZINC000183519352 666059499 /nfs/dbraw/zinc/05/94/99/666059499.db2.gz TUFUUXDVWJCJNA-ZDUSSCGKSA-N 0 0 307.329 0.840 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N(C)CCS(C)(=O)=O)C(C)C ZINC000076212813 666107281 /nfs/dbraw/zinc/10/72/81/666107281.db2.gz IRDGWTXSLJVMSV-CYBMUJFWSA-N 0 0 320.455 0.676 10 0 DCAERN O[C@@H](c1nccn1C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000184748631 666269610 /nfs/dbraw/zinc/26/96/10/666269610.db2.gz MSWMARQDSZLMHR-JKSUJKDBSA-N 0 0 317.389 0.658 10 0 DCAERN C[C@H](CCS(C)(=O)=O)OC(=O)c1ccc2nnn(C)c2c1 ZINC000185680025 666546749 /nfs/dbraw/zinc/54/67/49/666546749.db2.gz QIFOPAOMAJGONV-SECBINFHSA-N 0 0 311.363 0.948 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nnc(Cl)c(C)c1C ZINC000700319868 666704076 /nfs/dbraw/zinc/70/40/76/666704076.db2.gz NHNGPCRQBSEEFK-DTWKUNHWSA-N 0 0 305.787 0.971 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nnc(Cl)c(C)c1C ZINC000700319865 666704271 /nfs/dbraw/zinc/70/42/71/666704271.db2.gz NHNGPCRQBSEEFK-BDAKNGLRSA-N 0 0 305.787 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCn1cnc2ccccc2c1=O ZINC000733883053 666824152 /nfs/dbraw/zinc/82/41/52/666824152.db2.gz UQNMCLGAADCNQU-JOCHJYFZSA-N 0 0 321.402 0.671 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000733899411 666824688 /nfs/dbraw/zinc/82/46/88/666824688.db2.gz IGCUDTQGZGMHIX-SFHVURJKSA-N 0 0 309.365 0.113 10 0 DCAERN CC[S@](=O)CCNC(=O)c1c(C)oc(C)c1S(N)(=O)=O ZINC000733960941 666832349 /nfs/dbraw/zinc/83/23/49/666832349.db2.gz PBSNNCQYHQMKCX-IBGZPJMESA-N 0 0 322.408 0.042 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000733960398 666832386 /nfs/dbraw/zinc/83/23/86/666832386.db2.gz ICDMHVXMXAJJKI-OAQYLSRUSA-N 0 0 306.391 0.695 10 0 DCAERN CCC(=O)N[C@@H](CCSC)C(=O)NCC[S@@](=O)CC ZINC000733963115 666832674 /nfs/dbraw/zinc/83/26/74/666832674.db2.gz UKGUCMPECHAHJV-OVWNDWIMSA-N 0 0 308.469 0.519 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000733965726 666833108 /nfs/dbraw/zinc/83/31/08/666833108.db2.gz IJSBFDJVDTWPLG-GIPWTMENSA-N 0 0 300.424 0.662 10 0 DCAERN CC[S@@](=O)CCNC(=O)CSCC(=O)N1CCCCC1 ZINC000733969324 666833400 /nfs/dbraw/zinc/83/34/00/666833400.db2.gz ZICADWYBTMWOLE-HXUWFJFHSA-N 0 0 320.480 0.617 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(OCCOC)nc1 ZINC000734359377 666871132 /nfs/dbraw/zinc/87/11/32/666871132.db2.gz ANEKYVDWTQJAPX-OAQYLSRUSA-N 0 0 315.395 0.997 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000734513389 666884437 /nfs/dbraw/zinc/88/44/37/666884437.db2.gz XVNDQQOJNVSBQY-IBGZPJMESA-N 0 0 319.408 0.375 10 0 DCAERN CC[S@](=O)CCNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000735075473 666942594 /nfs/dbraw/zinc/94/25/94/666942594.db2.gz IYTQJUSVZLQXCB-QKVFXAPYSA-N 0 0 312.439 0.866 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCNC(=O)c1ccco1 ZINC000735094299 666951054 /nfs/dbraw/zinc/95/10/54/666951054.db2.gz XRMYPJQGLGSHKZ-HXUWFJFHSA-N 0 0 301.368 0.077 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(=O)NCc1ccccc1 ZINC000735114578 666955545 /nfs/dbraw/zinc/95/55/45/666955545.db2.gz YLJKARICQNDKLM-OAQYLSRUSA-N 0 0 311.407 0.371 10 0 DCAERN CC(=O)NC[C@H]1CN(Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000735485297 666991267 /nfs/dbraw/zinc/99/12/67/666991267.db2.gz FJTJEQBXKCINFC-ZDUSSCGKSA-N 0 0 318.377 0.134 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2csnn2)C1 ZINC000702838543 667001954 /nfs/dbraw/zinc/00/19/54/667001954.db2.gz LYAKIBOVJFRIJJ-GXSJLCMTSA-N 0 0 314.411 0.856 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735705450 667022639 /nfs/dbraw/zinc/02/26/39/667022639.db2.gz KGEHDSJOHCFPDA-VHSXEESVSA-N 0 0 322.283 0.704 10 0 DCAERN COCCS(=O)(=O)CCCN1CCC[C@H]1C(=O)OC(C)C ZINC000736318611 667145904 /nfs/dbraw/zinc/14/59/04/667145904.db2.gz YUXHJZZDGPFQMQ-ZDUSSCGKSA-N 0 0 321.439 0.854 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)OCCNC(=O)c1ccccc1 ZINC000121648816 667409590 /nfs/dbraw/zinc/40/95/90/667409590.db2.gz HWHUMWGOZBNCJZ-UHFFFAOYSA-N 0 0 315.329 0.711 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c(Cl)n1 ZINC000706384311 667411950 /nfs/dbraw/zinc/41/19/50/667411950.db2.gz BECMXUMTAVPINT-SECBINFHSA-N 0 0 317.798 0.937 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)nc1F ZINC000707061919 667431039 /nfs/dbraw/zinc/43/10/39/667431039.db2.gz ITBIHLPPISVPBM-RQJHMYQMSA-N 0 0 310.734 0.302 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccnc2Cl)CCS1(=O)=O ZINC000707408825 667438794 /nfs/dbraw/zinc/43/87/94/667438794.db2.gz RUKKDDKYUBSLEW-MRVPVSSYSA-N 0 0 324.811 0.543 10 0 DCAERN COC(=O)c1sccc1CNC(C)(C)CNS(C)(=O)=O ZINC000708343267 667442704 /nfs/dbraw/zinc/44/27/04/667442704.db2.gz VHGTVYYLHQVPCF-UHFFFAOYSA-N 0 0 320.436 0.952 10 0 DCAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000711089685 667448906 /nfs/dbraw/zinc/44/89/06/667448906.db2.gz CAQRNKNVLVXOPX-RXMQYKEDSA-N 0 0 322.799 0.544 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1cc(O)cc(Br)c1 ZINC000717298737 667542656 /nfs/dbraw/zinc/54/26/56/667542656.db2.gz MYQGGKYNYQFBDI-WKEGUHRASA-N 0 0 304.140 0.626 10 0 DCAERN COC(=O)[C@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000103147374 667699537 /nfs/dbraw/zinc/69/95/37/667699537.db2.gz KEWSSIGOKPUURL-QWHCGFSZSA-N 0 0 301.289 0.872 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1Cn1c2ccccc2n(C)c1=O ZINC000739861467 667721844 /nfs/dbraw/zinc/72/18/44/667721844.db2.gz OGRFJYZAEBMLHD-NSHDSACASA-N 0 0 309.391 0.416 10 0 DCAERN CC(=O)N1CCO[C@H]2CCN(c3ccnc(C(N)=O)c3)C[C@@H]21 ZINC000886034104 667726249 /nfs/dbraw/zinc/72/62/49/667726249.db2.gz OSMYSTSOBVVJIJ-KBPBESRZSA-N 0 0 304.350 0.007 10 0 DCAERN CO[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1c1cn(C)nn1 ZINC000886072042 667728361 /nfs/dbraw/zinc/72/83/61/667728361.db2.gz LIOXZXLPHNROGG-WCQYABFASA-N 0 0 319.413 0.776 10 0 DCAERN CC(C)Cn1cc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 ZINC000886079076 667729635 /nfs/dbraw/zinc/72/96/35/667729635.db2.gz FODUQUSQEMDHQR-HZPDHXFCSA-N 0 0 319.409 0.897 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCOc3ccncc32)C1=O ZINC000886088041 667730878 /nfs/dbraw/zinc/73/08/78/667730878.db2.gz ISJKFDXIRAPCQG-AWEZNQCLSA-N 0 0 319.361 0.835 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)Cc1cccc(Br)c1 ZINC000717379797 667735646 /nfs/dbraw/zinc/73/56/46/667735646.db2.gz OCKIRBLQURAXER-KWQFWETISA-N 0 0 302.168 0.850 10 0 DCAERN CC(C)[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)N(C)C ZINC000740327847 667741086 /nfs/dbraw/zinc/74/10/86/667741086.db2.gz NWVSJKJEAOQCHS-ZDUSSCGKSA-N 0 0 307.350 0.467 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1cn2ccsc2n1 ZINC000741076555 667758183 /nfs/dbraw/zinc/75/81/83/667758183.db2.gz TUWUSQIUEMOLMC-LJQANCHMSA-N 0 0 300.409 0.964 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000741090146 667758827 /nfs/dbraw/zinc/75/88/27/667758827.db2.gz PGTVNHGKLTXJGN-FKIZINRSSA-N 0 0 305.444 0.023 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](CO)c1ccccc1OC ZINC000741422378 667770970 /nfs/dbraw/zinc/77/09/70/667770970.db2.gz HMOINPJRYHZUJG-GTJPDFRWSA-N 0 0 314.407 0.796 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@@H](O)[C@H](C)O ZINC000717414530 667789751 /nfs/dbraw/zinc/78/97/51/667789751.db2.gz VFYSTBGNDACOFN-OIBJUYFYSA-N 0 0 318.167 0.929 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000743144176 667803876 /nfs/dbraw/zinc/80/38/76/667803876.db2.gz XJFHGNTUCBQSBV-HXUWFJFHSA-N 0 0 301.343 0.815 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743207954 667804802 /nfs/dbraw/zinc/80/48/02/667804802.db2.gz ZIDBAXUKILZGIX-VHSXEESVSA-N 0 0 300.384 0.705 10 0 DCAERN O=C(CCn1ccccc1=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000887024899 667839653 /nfs/dbraw/zinc/83/96/53/667839653.db2.gz ZNEFJVNPRUJESF-CHWSQXEVSA-N 0 0 306.362 0.285 10 0 DCAERN CN(Cc1ccsc1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124938891 668168814 /nfs/dbraw/zinc/16/88/14/668168814.db2.gz KHVMUSDTMYVRRE-LLVKDONJSA-N 0 0 302.421 0.483 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1ccsc1 ZINC000125025208 668192735 /nfs/dbraw/zinc/19/27/35/668192735.db2.gz NWRIHSBCLOVFGQ-NSHDSACASA-N 0 0 302.421 0.184 10 0 DCAERN O=C(OCCn1cnc2ccsc2c1=O)[C@@H]1CNC(=O)C1 ZINC000126012212 668463916 /nfs/dbraw/zinc/46/39/16/668463916.db2.gz QKIFXJMWVVBVAN-QMMMGPOBSA-N 0 0 307.331 0.137 10 0 DCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000126377652 668570788 /nfs/dbraw/zinc/57/07/88/668570788.db2.gz RQVWSJWAWDYMRI-UHFFFAOYSA-N 0 0 322.361 0.998 10 0 DCAERN C[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccccc1 ZINC000126676537 668640167 /nfs/dbraw/zinc/64/01/67/668640167.db2.gz KPGQQDXCFNXCKM-TZMCWYRMSA-N 0 0 310.419 0.683 10 0 DCAERN CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126787282 668658771 /nfs/dbraw/zinc/65/87/71/668658771.db2.gz HKGHQVXVRAHNGY-CHWSQXEVSA-N 0 0 302.440 0.802 10 0 DCAERN CC(C)C[C@H]1NC(=O)N(CN(C)CC(=O)NC(C)(C)C)C1=O ZINC000023848774 669179645 /nfs/dbraw/zinc/17/96/45/669179645.db2.gz RYDYCQJXHPXEON-LLVKDONJSA-N 0 0 312.414 0.757 10 0 DCAERN C[C@@H](CN(CCS(C)(=O)=O)C(C)(C)C)CS(C)(=O)=O ZINC000131631217 669675345 /nfs/dbraw/zinc/67/53/45/669675345.db2.gz RAKUQOKAYYQCRF-NSHDSACASA-N 0 0 313.485 0.812 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1Cn1nc2cnccn2c1=O ZINC000133449532 669810675 /nfs/dbraw/zinc/81/06/75/669810675.db2.gz BYPBTAUUVHJENA-CYBMUJFWSA-N 0 0 313.365 0.518 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000041990837 669825316 /nfs/dbraw/zinc/82/53/16/669825316.db2.gz FKLFIYXWAXUEQM-AWEZNQCLSA-N 0 0 303.362 0.430 10 0 DCAERN C#Cc1cccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000155775162 669835494 /nfs/dbraw/zinc/83/54/94/669835494.db2.gz SPMZITWPRLUHIL-AAEUAGOBSA-N 0 0 313.357 0.719 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@](C)(O)c1cccs1 ZINC000156453865 669840471 /nfs/dbraw/zinc/84/04/71/669840471.db2.gz QIJUNDMHDVLXDY-GWCFXTLKSA-N 0 0 314.432 0.993 10 0 DCAERN CCN1CCN(CC(=O)O[C@@H](C)Cc2ccccc2)C(=O)C1=O ZINC000160133066 669947473 /nfs/dbraw/zinc/94/74/73/669947473.db2.gz JQNPZPOGNXDPPD-ZDUSSCGKSA-N 0 0 318.373 0.852 10 0 DCAERN Cc1nn(C)c(Cl)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188793578 670048031 /nfs/dbraw/zinc/04/80/31/670048031.db2.gz ZHKOHLPIOAYGTF-VIFPVBQESA-N 0 0 300.790 0.521 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188904094 670064817 /nfs/dbraw/zinc/06/48/17/670064817.db2.gz IRWPRFNINGDBLS-OSMZGAPFSA-N 0 0 316.361 0.687 10 0 DCAERN Cn1cc(CNC[C@@H]2CN(C)CCO2)c(Br)n1 ZINC000712490608 670149675 /nfs/dbraw/zinc/14/96/75/670149675.db2.gz HWKXSMBQBLCGKD-SNVBAGLBSA-N 0 0 303.204 0.603 10 0 DCAERN CCN1C[C@H](NCc2cn(C)nc2Br)CC1=O ZINC000712468708 670149719 /nfs/dbraw/zinc/14/97/19/670149719.db2.gz BUJBIFWHUVERNX-SECBINFHSA-N 0 0 301.188 0.893 10 0 DCAERN Cc1ccc(S(=O)(=O)NC2CCC3(CC2)OCCO3)nn1 ZINC000712743395 670150999 /nfs/dbraw/zinc/15/09/99/670150999.db2.gz GEGRTDGTUUWRAQ-UHFFFAOYSA-N 0 0 313.379 0.749 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(O)cc1O ZINC000713902406 670169117 /nfs/dbraw/zinc/16/91/17/670169117.db2.gz AGUMXXSHBPXHJW-UHFFFAOYSA-N 0 0 301.364 0.993 10 0 DCAERN Cn1cc(CN2CC[C@@](C)(C(N)=O)C2)c(Br)n1 ZINC000713862760 670171320 /nfs/dbraw/zinc/17/13/20/670171320.db2.gz ZPMDHOVZAJCVJH-LLVKDONJSA-N 0 0 301.188 0.880 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@@H]2CSc3ccccc32)CC1 ZINC000713990494 670173389 /nfs/dbraw/zinc/17/33/89/670173389.db2.gz VKQWTUJDRCEURS-SNVBAGLBSA-N 0 0 312.416 0.813 10 0 DCAERN CS(=O)(=O)c1cccnc1NCC[C@@H]1CCCS1(=O)=O ZINC000714327633 670184291 /nfs/dbraw/zinc/18/42/91/670184291.db2.gz OEKMNORCBMGEIN-JTQLQIEISA-N 0 0 318.420 0.864 10 0 DCAERN O=C(c1cnc(Cl)cn1)N1CCO[C@H](Cn2cccn2)C1 ZINC000192741816 670186150 /nfs/dbraw/zinc/18/61/50/670186150.db2.gz BHKXGNYJNPOSCS-JTQLQIEISA-N 0 0 307.741 0.868 10 0 DCAERN CCCn1cc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917869 670225795 /nfs/dbraw/zinc/22/57/95/670225795.db2.gz BZCRROLROYFYBB-QWRGUYRKSA-N 0 0 301.416 0.373 10 0 DCAERN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CC1(C)OCCO1 ZINC000715995787 670229807 /nfs/dbraw/zinc/22/98/07/670229807.db2.gz DMZYFGOMZWYYGF-SNVBAGLBSA-N 0 0 311.386 0.947 10 0 DCAERN CCN1CCC[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 ZINC000193686396 670330948 /nfs/dbraw/zinc/33/09/48/670330948.db2.gz DCJQLNMGUCTUBO-VXGBXAGGSA-N 0 0 320.480 0.507 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2nccc2-c2cccnc2)C1 ZINC000116869787 671132083 /nfs/dbraw/zinc/13/20/83/671132083.db2.gz REQZWOMXCMBJPZ-CYBMUJFWSA-N 0 0 321.406 0.526 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000003070551 671823257 /nfs/dbraw/zinc/82/32/57/671823257.db2.gz PNWMTYVXKPQOQU-UWVGGRQHSA-N 0 0 318.329 0.739 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)c2cnc(OC)s2)C1 ZINC000389034993 685256121 /nfs/dbraw/zinc/25/61/21/685256121.db2.gz DYCAITZSWYTXDI-ZETCQYMHSA-N 0 0 306.365 0.335 10 0 DCAERN C[S@](=O)CCNc1cc(Br)cnc1C(N)=O ZINC000390445090 685260307 /nfs/dbraw/zinc/26/03/07/685260307.db2.gz XIEGFJQTPNLEOC-INIZCTEOSA-N 0 0 306.185 0.733 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1c(Br)nnn1C ZINC000399256726 685275079 /nfs/dbraw/zinc/27/50/79/685275079.db2.gz REKICPRPTLPZOR-RNFRBKRXSA-N 0 0 303.160 0.563 10 0 DCAERN O=S(=O)(N[C@@H]1CCCN2CCSC[C@H]12)c1c[nH]cn1 ZINC000720485123 685313734 /nfs/dbraw/zinc/31/37/34/685313734.db2.gz TVZSNRSOFIYQGP-NXEZZACHSA-N 0 0 302.425 0.268 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cn(C)nn1 ZINC000720546759 685314232 /nfs/dbraw/zinc/31/42/32/685314232.db2.gz IZFBUFNGLTYHEU-SSDOTTSWSA-N 0 0 301.759 0.903 10 0 DCAERN COC(=O)N(C)CCN(C)C(=O)CCc1cnc(N)s1 ZINC000721335480 685317811 /nfs/dbraw/zinc/31/78/11/685317811.db2.gz JDAHZVRAGDCPQJ-UHFFFAOYSA-N 0 0 300.384 0.815 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NC1CCCCCCC1 ZINC000725016707 685319813 /nfs/dbraw/zinc/31/98/13/685319813.db2.gz HGJULZBLWFKVAM-CYBMUJFWSA-N 0 0 302.440 0.992 10 0 DCAERN Cn1cnc(S(=O)(=O)NC2CCC(C(N)=O)CC2)c1Cl ZINC000037989563 685056648 /nfs/dbraw/zinc/05/66/48/685056648.db2.gz ZHWZCTTZAMZKQN-UHFFFAOYSA-N 0 0 320.802 0.396 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)OCC[C@H]1CCCO1 ZINC000177945736 685150149 /nfs/dbraw/zinc/15/01/49/685150149.db2.gz WHAUSXYYOXPEGU-LLVKDONJSA-N 0 0 318.329 0.802 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3cc[nH]n3)C2)O1 ZINC000190417708 685153846 /nfs/dbraw/zinc/15/38/46/685153846.db2.gz HAFRFYXOLFAZGU-UHTWSYAYSA-N 0 0 307.350 0.836 10 0 DCAERN COC(=O)[C@]1(C)CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246616437 685165306 /nfs/dbraw/zinc/16/53/06/685165306.db2.gz VGMAYFPPRMFIFH-XHBSWPGZSA-N 0 0 306.362 0.780 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)[C@H]1C ZINC000251846945 685185754 /nfs/dbraw/zinc/18/57/54/685185754.db2.gz OQLZBNKTPNSHIW-VOAKCMCISA-N 0 0 302.440 0.704 10 0 DCAERN C[C@@H]1CCC[C@H](N(C)C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000251874944 685185772 /nfs/dbraw/zinc/18/57/72/685185772.db2.gz QURTZWUAZDZKCW-AGIUHOORSA-N 0 0 302.440 0.800 10 0 DCAERN O=C(NCCN1C(=O)CSC1=O)c1ccc(Cl)nn1 ZINC000040690649 1159057845 /nfs/dbraw/zinc/05/78/45/1159057845.db2.gz QPBCRQYTIBXXPX-UHFFFAOYSA-N 0 0 300.727 0.555 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC000380146994 1158003234 /nfs/dbraw/zinc/00/32/34/1158003234.db2.gz WNBDBWPBDXAVQN-ZETCQYMHSA-N 0 0 317.754 0.127 10 0 DCAERN Nc1ccc(I)cc1C(=O)NCCCO ZINC000309079791 1158190648 /nfs/dbraw/zinc/19/06/48/1158190648.db2.gz OARDNFYDYSGQPB-UHFFFAOYSA-N 0 0 320.130 0.986 10 0 DCAERN CC(=O)N1CCC(NC(=O)CCS(=O)(=O)CC(C)C)CC1 ZINC000047477795 1171628779 /nfs/dbraw/zinc/62/87/79/1171628779.db2.gz UFUMLRNSSLYMCQ-UHFFFAOYSA-N 0 0 318.439 0.574 10 0 DCAERN CC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000048338769 1171654575 /nfs/dbraw/zinc/65/45/75/1171654575.db2.gz YLDAOWJCXQQPRT-SNVBAGLBSA-N 0 0 307.350 0.525 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1 ZINC000070303057 1173814268 /nfs/dbraw/zinc/81/42/68/1173814268.db2.gz PISVYEDHZBISED-GFCCVEGCSA-N 0 0 313.375 0.717 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCc1ccc(Cl)nc1 ZINC000151059335 1180541893 /nfs/dbraw/zinc/54/18/93/1180541893.db2.gz GOMAKWUORTYVNP-UHFFFAOYSA-N 0 0 319.814 0.675 10 0 DCAERN CNC(=O)CN1CCN(C(=O)c2cccc(Cl)c2N)CC1 ZINC000155903194 1180556603 /nfs/dbraw/zinc/55/66/03/1180556603.db2.gz VZMDVYHSQFLKJG-UHFFFAOYSA-N 0 0 310.785 0.426 10 0 DCAERN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC ZINC000238322848 1182238916 /nfs/dbraw/zinc/23/89/16/1182238916.db2.gz DGEZNFGBRYPCBX-NXEZZACHSA-N 0 0 318.370 0.594 10 0 DCAERN CCOCCCNC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000170335815 1183656481 /nfs/dbraw/zinc/65/64/81/1183656481.db2.gz GEAFOXDHCIEZMA-LBPRGKRZSA-N 0 0 322.361 0.485 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCN(Cc2cccnc2)CC1 ZINC000176789896 1184223009 /nfs/dbraw/zinc/22/30/09/1184223009.db2.gz LXESATMMRLSQFU-UHFFFAOYSA-N 0 0 300.366 0.477 10 0 DCAERN Cc1noc([C@@H](NCC(=O)NCC(=O)N2CCCC2)C(C)C)n1 ZINC000179866087 1185168664 /nfs/dbraw/zinc/16/86/64/1185168664.db2.gz XHSMONFCLMWXEK-AWEZNQCLSA-N 0 0 323.397 0.403 10 0 DCAERN COc1cccc(CC(=O)NCCS(=O)(=O)C(C)(C)C)n1 ZINC000187091185 1187437959 /nfs/dbraw/zinc/43/79/59/1187437959.db2.gz KPOIDANFTKATKS-UHFFFAOYSA-N 0 0 314.407 0.962 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(N)=O)C1 ZINC000188602473 1187757813 /nfs/dbraw/zinc/75/78/13/1187757813.db2.gz OOZUPMKFOBAFSX-ZWNOBZJWSA-N 0 0 301.350 0.544 10 0 DCAERN CC1(C)CN(CCNC(=O)Cn2nnc3ccccc32)CCO1 ZINC000194913047 1188192097 /nfs/dbraw/zinc/19/20/97/1188192097.db2.gz UBDMSBODDXCRMX-UHFFFAOYSA-N 0 0 317.393 0.658 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)c3ccon3)c2)NC(=O)NC1=O ZINC000195012521 1188197428 /nfs/dbraw/zinc/19/74/28/1188197428.db2.gz XUVKVKLFEKISSM-HNNXBMFYSA-N 0 0 314.301 0.659 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000198233232 1188318325 /nfs/dbraw/zinc/31/83/25/1188318325.db2.gz CDSNFCXORYYGOG-UHFFFAOYSA-N 0 0 317.389 0.472 10 0 DCAERN CC(CO)(CO)NC(=O)c1cc(F)c(Br)cc1N ZINC000302502096 1190177529 /nfs/dbraw/zinc/17/75/29/1190177529.db2.gz LIMOLBRKTNQGAB-UHFFFAOYSA-N 0 0 321.146 0.644 10 0 DCAERN Nc1c(Cl)cccc1C(=O)NCCN1CCCS1(=O)=O ZINC000405361059 1190291090 /nfs/dbraw/zinc/29/10/90/1190291090.db2.gz OMEWUAMUIKJBLM-UHFFFAOYSA-N 0 0 317.798 0.688 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316181103 1190413208 /nfs/dbraw/zinc/41/32/08/1190413208.db2.gz QCLZDOCFMKIFTA-HQJQHLMTSA-N 0 0 316.151 0.580 10 0 DCAERN O=C(c1ccnc(Br)c1)N1C[C@@H](O)[C@H](CO)C1 ZINC000316633476 1190414857 /nfs/dbraw/zinc/41/48/57/1190414857.db2.gz DRZXUZGKQPYKRW-DTWKUNHWSA-N 0 0 301.140 0.269 10 0 DCAERN COC1(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC1 ZINC000380195234 1190698955 /nfs/dbraw/zinc/69/89/55/1190698955.db2.gz ZMLZWKXGWGZMPA-VIFPVBQESA-N 0 0 318.361 0.967 10 0 DCAERN CC1(C)OCC[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000392940553 1190701380 /nfs/dbraw/zinc/70/13/80/1190701380.db2.gz GJBXOKVJSHFJFJ-MRVPVSSYSA-N 0 0 304.393 0.693 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C)C(=O)[C@H]1C ZINC000588527826 747408200 /nfs/dbraw/zinc/40/82/00/747408200.db2.gz JSSCSCRITMAZSL-NWDGAFQWSA-N 0 0 319.409 0.377 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000400147243 774022066 /nfs/dbraw/zinc/02/20/66/774022066.db2.gz OMEANDRCJZGRMR-SECBINFHSA-N 0 0 317.798 0.686 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401792752 774066272 /nfs/dbraw/zinc/06/62/72/774066272.db2.gz OOHALVXPLNVCIG-VIFPVBQESA-N 0 0 302.327 0.794 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccnc1F ZINC000401955435 774071638 /nfs/dbraw/zinc/07/16/38/774071638.db2.gz YTUDXEYNXWRDKA-VIFPVBQESA-N 0 0 301.343 0.510 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000402609449 774089221 /nfs/dbraw/zinc/08/92/21/774089221.db2.gz WFZSFFYPNKVHOQ-LBPRGKRZSA-N 0 0 304.343 0.383 10 0 DCAERN O=S(=O)(C1C[NH2+]C1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000405151128 774151895 /nfs/dbraw/zinc/15/18/95/774151895.db2.gz OUZFCWGCKZYVLG-CQSZACIVSA-N 0 0 310.419 0.827 10 0 DCAERN COC(CNC(=O)c1cc(S(C)(=O)=O)ccc1C)OC ZINC000701199032 949750449 /nfs/dbraw/zinc/75/04/49/949750449.db2.gz DYBZOBPTGCLIDO-UHFFFAOYSA-N 0 0 301.364 0.747 10 0 DCAERN O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(C(=O)N2CCCC2)n1 ZINC000081766536 192321343 /nfs/dbraw/zinc/32/13/43/192321343.db2.gz WZWPYGXHTZBLKX-QWHCGFSZSA-N 0 0 315.373 0.984 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H](C)C2 ZINC000181231648 199269403 /nfs/dbraw/zinc/26/94/03/199269403.db2.gz IHDYCGZDSHAWSQ-BDJLRTHQSA-N 0 0 313.357 0.895 10 0 DCAERN CC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181261062 199273182 /nfs/dbraw/zinc/27/31/82/199273182.db2.gz VUIFGPNVZKPJLN-JTQLQIEISA-N 0 0 317.411 0.166 10 0 DCAERN CN(C)S(=O)(=O)CCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000375623972 282157463 /nfs/dbraw/zinc/15/74/63/282157463.db2.gz MNMOOFDGBQQBMI-CYBMUJFWSA-N 0 0 306.428 0.148 10 0 DCAERN Cc1ncc2n1CC[C@H](C(=O)N1CC[C@@H]3OCCN(C)[C@H]3C1)C2 ZINC000329748299 282178778 /nfs/dbraw/zinc/17/87/78/282178778.db2.gz ZXCWJGIHPSYZMJ-BPUTZDHNSA-N 0 0 318.421 0.685 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OC)nn1 ZINC000088196776 185241397 /nfs/dbraw/zinc/24/13/97/185241397.db2.gz IIJLKPNJAVSZOV-VIFPVBQESA-N 0 0 302.338 0.904 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1 ZINC000096997209 185395732 /nfs/dbraw/zinc/39/57/32/185395732.db2.gz KLEMYPGPEUOKAL-LLVKDONJSA-N 0 0 324.402 0.975 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCC2)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000181411591 199293281 /nfs/dbraw/zinc/29/32/81/199293281.db2.gz CNNADULIOHHPBI-CHWSQXEVSA-N 0 0 316.400 0.107 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)[C@H](C)CC)CC2 ZINC000246732327 529751387 /nfs/dbraw/zinc/75/13/87/529751387.db2.gz HPQRRYNFDFNOLJ-UTUOFQBUSA-N 0 0 309.414 0.862 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)CC2 ZINC000181596669 199324871 /nfs/dbraw/zinc/32/48/71/199324871.db2.gz JPKCGVRHSIBXFT-WDEREUQCSA-N 0 0 320.397 0.246 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC[C@H]1CCCO1 ZINC000097015069 185397342 /nfs/dbraw/zinc/39/73/42/185397342.db2.gz NUTCQMFINAKTIG-NEPJUHHUSA-N 0 0 314.411 0.910 10 0 DCAERN CC(=O)NCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000097052292 185404138 /nfs/dbraw/zinc/40/41/38/185404138.db2.gz AHCYACCAFCMNKU-UHFFFAOYSA-N 0 0 303.362 0.956 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177617289 529830972 /nfs/dbraw/zinc/83/09/72/529830972.db2.gz RHBBZVUSIGRHQX-SNVBAGLBSA-N 0 0 310.398 0.306 10 0 DCAERN CNC(=O)CC(=O)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186819483 529844903 /nfs/dbraw/zinc/84/49/03/529844903.db2.gz AVSBYSRIPFJXPZ-HNNXBMFYSA-N 0 0 304.325 0.901 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)C(C)C ZINC000179124092 529898062 /nfs/dbraw/zinc/89/80/62/529898062.db2.gz QVMTWKGKRRXBPG-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000183109095 199539093 /nfs/dbraw/zinc/53/90/93/199539093.db2.gz WZQNJMNGKIIYBV-GJZGRUSLSA-N 0 0 322.409 0.661 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Cl)cnc1N)C(C)C ZINC000178750110 529920741 /nfs/dbraw/zinc/92/07/41/529920741.db2.gz LTRQLMHHMDBPMN-SECBINFHSA-N 0 0 320.802 0.366 10 0 DCAERN CNC(=O)c1cccnc1N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000301335805 529951946 /nfs/dbraw/zinc/95/19/46/529951946.db2.gz CURNCCUBRRAAHF-SNVBAGLBSA-N 0 0 312.395 0.277 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000089755950 295714491 /nfs/dbraw/zinc/71/44/91/295714491.db2.gz GIIGVPOQFVSYPL-KOLCDFICSA-N 0 0 308.721 0.565 10 0 DCAERN COCCNC(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000103295780 185445121 /nfs/dbraw/zinc/44/51/21/185445121.db2.gz QQRIWHJXURCJIL-UHFFFAOYSA-N 0 0 317.340 0.752 10 0 DCAERN CN(C)c1noc(CN2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000192733630 282333015 /nfs/dbraw/zinc/33/30/15/282333015.db2.gz HBSRHJBOBMJCHX-CYBMUJFWSA-N 0 0 309.414 0.822 10 0 DCAERN CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328647587 530022663 /nfs/dbraw/zinc/02/26/63/530022663.db2.gz UBXUWJQXYOHREN-SMDDNHRTSA-N 0 0 319.413 0.759 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCN(CC(F)F)CC2)nc1 ZINC000301279402 530030561 /nfs/dbraw/zinc/03/05/61/530030561.db2.gz XFTDAANCPKRJNV-UHFFFAOYSA-N 0 0 320.365 0.377 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCOCC1 ZINC000299610154 530033286 /nfs/dbraw/zinc/03/32/86/530033286.db2.gz BXQVQBAYVUGOQI-UHFFFAOYSA-N 0 0 324.402 0.910 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000272728484 210134827 /nfs/dbraw/zinc/13/48/27/210134827.db2.gz AMTBQBQLHYPYMW-STQMWFEESA-N 0 0 324.764 0.617 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)C(F)(F)F)CC2 ZINC000181765453 199348845 /nfs/dbraw/zinc/34/88/45/199348845.db2.gz CACJJQFSBVEDJG-NSHDSACASA-N 0 0 324.324 0.880 10 0 DCAERN COC1(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)CCC1 ZINC000181799023 199353448 /nfs/dbraw/zinc/35/34/48/199353448.db2.gz LUMJVUREPTWWPF-ZDUSSCGKSA-N 0 0 308.382 0.863 10 0 DCAERN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H](CO)NC(N)=O)C2)c1 ZINC000181955084 199366799 /nfs/dbraw/zinc/36/67/99/199366799.db2.gz ZVVGTDSWYMQMQX-JSGCOSHPSA-N 0 0 305.378 0.649 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(N2CCCC2)nn1 ZINC000177541215 295751719 /nfs/dbraw/zinc/75/17/19/295751719.db2.gz OHKYSMMNLWQGHZ-LLVKDONJSA-N 0 0 313.365 0.933 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCO[C@@]2(CCOC2)C1 ZINC000333134840 304772119 /nfs/dbraw/zinc/77/21/19/304772119.db2.gz IKPDPCSQMAODCL-RFGFWPKPSA-N 0 0 301.408 0.996 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000193982595 282596319 /nfs/dbraw/zinc/59/63/19/282596319.db2.gz FRAGNYOXAQTGHN-STQMWFEESA-N 0 0 309.410 0.953 10 0 DCAERN CO[C@@]1(C)CCCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000279868776 215193997 /nfs/dbraw/zinc/19/39/97/215193997.db2.gz DJUCAHYEOBXVBZ-HNNXBMFYSA-N 0 0 318.381 0.826 10 0 DCAERN Cn1ccnc1[C@@H]1CN(CC(=O)NC[C@@H]2CCCO2)CCN1C ZINC000279885521 215207177 /nfs/dbraw/zinc/20/71/77/215207177.db2.gz CRQVJMMEGCTOPR-KBPBESRZSA-N 0 0 321.425 0.004 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)CC2 ZINC000150713093 186058756 /nfs/dbraw/zinc/05/87/56/186058756.db2.gz SFYFHZOEBSCSMJ-MNOVXSKESA-N 0 0 305.382 0.311 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)CC2 ZINC000150713087 186058827 /nfs/dbraw/zinc/05/88/27/186058827.db2.gz SFYFHZOEBSCSMJ-GHMZBOCLSA-N 0 0 305.382 0.311 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000329157141 282979775 /nfs/dbraw/zinc/97/97/75/282979775.db2.gz CHMPNRGNRNEQPU-FUHWJXTLSA-N 0 0 318.417 0.913 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H]1N1CCOCC1 ZINC000175711475 186190798 /nfs/dbraw/zinc/19/07/98/186190798.db2.gz IZLYMMIJSCKLDA-OCCSQVGLSA-N 0 0 307.398 0.282 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000177893142 186200353 /nfs/dbraw/zinc/20/03/53/186200353.db2.gz RYZPGTCWTYFIPL-GFCCVEGCSA-N 0 0 317.267 0.854 10 0 DCAERN Cc1sc2[nH]c(CN3CCOC[C@H]3C(N)=O)nc(=O)c2c1C ZINC000179724023 186211128 /nfs/dbraw/zinc/21/11/28/186211128.db2.gz KZGFGCGGWWIAGA-VIFPVBQESA-N 0 0 322.390 0.288 10 0 DCAERN O=C(CNC(=O)N1CCN(Cc2ccon2)CC1)NCC1CC1 ZINC000182034874 199377359 /nfs/dbraw/zinc/37/73/59/199377359.db2.gz BKEHNSAVCYGERQ-UHFFFAOYSA-N 0 0 321.381 0.028 10 0 DCAERN Cc1cc(CN2CCN(C(=O)NCC3(C)COC3)CC2)no1 ZINC000171856385 197995785 /nfs/dbraw/zinc/99/57/85/197995785.db2.gz MAIPVOOTWOMMEX-UHFFFAOYSA-N 0 0 308.382 0.847 10 0 DCAERN Cn1cc(NC(=O)NCCS(=O)(=O)C(C)(C)C)ccc1=O ZINC000172126681 198042941 /nfs/dbraw/zinc/04/29/41/198042941.db2.gz HPTVWHOTANGXFH-UHFFFAOYSA-N 0 0 315.395 0.720 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000172561166 198115703 /nfs/dbraw/zinc/11/57/03/198115703.db2.gz YXQQTXLPYQBOEO-VHSXEESVSA-N 0 0 314.363 0.043 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000172517450 198108845 /nfs/dbraw/zinc/10/88/45/198108845.db2.gz IXNMZOQEGOTLSQ-KBPBESRZSA-N 0 0 303.362 0.981 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000172656835 198132825 /nfs/dbraw/zinc/13/28/25/198132825.db2.gz DJTJAEVJVDXFJS-QMMMGPOBSA-N 0 0 314.411 0.907 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](CCO)c2ccccc2)C1 ZINC000172700888 198138583 /nfs/dbraw/zinc/13/85/83/198138583.db2.gz HDNNRNMAKFMLIK-CVEARBPZSA-N 0 0 321.421 0.782 10 0 DCAERN Cc1nc2nc(C)c3c(ccn(-c4ccc[nH]c4=O)c3=O)n2n1 ZINC000072449451 191169664 /nfs/dbraw/zinc/16/96/64/191169664.db2.gz GOKXNTZTEUGHHS-UHFFFAOYSA-N 0 0 308.301 0.734 10 0 DCAERN CSc1nc2nc(C)c3c(ccn(-c4nc[nH]n4)c3=O)n2n1 ZINC000072449592 191170285 /nfs/dbraw/zinc/17/02/85/191170285.db2.gz SURBSMOXZAKLSZ-UHFFFAOYSA-N 0 0 314.334 0.577 10 0 DCAERN COC(=O)c1c(C)nn2c1ncc1c2ccn(-c2cc[nH]n2)c1=O ZINC000072465548 191174016 /nfs/dbraw/zinc/17/40/16/191174016.db2.gz ARTCYQJVFBOWRT-UHFFFAOYSA-N 0 0 324.300 0.852 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccccc2Cn2cncn2)C1 ZINC000172922286 198167893 /nfs/dbraw/zinc/16/78/93/198167893.db2.gz LJQYOSYYCTYZMG-AWEZNQCLSA-N 0 0 315.377 0.387 10 0 DCAERN Cc1cc(N2CC[C@@H](Sc3nnnn3C3CC3)C2=O)n(C)n1 ZINC000172913640 198167598 /nfs/dbraw/zinc/16/75/98/198167598.db2.gz PFGOZPZLTWLJFX-SNVBAGLBSA-N 0 0 319.394 0.948 10 0 DCAERN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084245 198183984 /nfs/dbraw/zinc/18/39/84/198183984.db2.gz VFDXFZOSPMUSQR-SECBINFHSA-N 0 0 321.308 0.629 10 0 DCAERN CC(=O)NCCNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000173362871 198207210 /nfs/dbraw/zinc/20/72/10/198207210.db2.gz IPDVNHRZBVQNJY-AWEZNQCLSA-N 0 0 318.377 0.569 10 0 DCAERN CCc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000182045562 199379454 /nfs/dbraw/zinc/37/94/54/199379454.db2.gz ZTSLQOIHFQRZHL-CQSZACIVSA-N 0 0 305.378 0.484 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173554739 198225958 /nfs/dbraw/zinc/22/59/58/198225958.db2.gz SJMMOCKXJQXFFA-JTQLQIEISA-N 0 0 323.397 0.429 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@@H]1N1CCOCC1 ZINC000173979687 198276277 /nfs/dbraw/zinc/27/62/77/198276277.db2.gz FEFAYASBNHMTBE-BBRMVZONSA-N 0 0 318.421 0.940 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1C ZINC000182087215 199384454 /nfs/dbraw/zinc/38/44/54/199384454.db2.gz AOTOGHFCMIJZQN-NWDGAFQWSA-N 0 0 322.413 0.461 10 0 DCAERN Cn1ncnc1NC(=O)CN1C(=O)CSc2ccccc21 ZINC000151051902 282887500 /nfs/dbraw/zinc/88/75/00/282887500.db2.gz SURADGLMVWJYJO-UHFFFAOYSA-N 0 0 303.347 0.893 10 0 DCAERN O=C(Cc1cccc2ccccc21)NCC(=O)N1CC(CO)C1 ZINC000182107141 199387051 /nfs/dbraw/zinc/38/70/51/199387051.db2.gz IASQUVZMXRIXIJ-UHFFFAOYSA-N 0 0 312.369 0.949 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000088771837 291014672 /nfs/dbraw/zinc/01/46/72/291014672.db2.gz BZHFDXCNRIKAPX-CHWSQXEVSA-N 0 0 312.391 0.872 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000174530323 283021674 /nfs/dbraw/zinc/02/16/74/283021674.db2.gz XZSQLUQHTPRZSM-OLZOCXBDSA-N 0 0 324.402 0.352 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000182829367 199497453 /nfs/dbraw/zinc/49/74/53/199497453.db2.gz BRFPNZYMEBCXRK-LRDDRELGSA-N 0 0 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/nfs/dbraw/zinc/08/76/00/202087600.db2.gz MCRWDCXRZXKGNI-AWEZNQCLSA-N 0 0 305.378 0.140 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000087024603 192613059 /nfs/dbraw/zinc/61/30/59/192613059.db2.gz VYVRWCRRYTZNAJ-SNVBAGLBSA-N 0 0 308.386 0.501 10 0 DCAERN CN(CC1(O)CCCC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179243654 199004412 /nfs/dbraw/zinc/00/44/12/199004412.db2.gz FDYUGTGVTYIRGL-UHFFFAOYSA-N 0 0 312.391 0.711 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)COc2cccc(OC)c2)CC1 ZINC000179397184 199028498 /nfs/dbraw/zinc/02/84/98/199028498.db2.gz MIUKMTQBLIKHAC-CQSZACIVSA-N 0 0 322.405 0.989 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000171898482 283299690 /nfs/dbraw/zinc/29/96/90/283299690.db2.gz JPBPHUXXICSJRT-LBPRGKRZSA-N 0 0 318.377 0.890 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2C[C@H](C)OC(C)(C)C2)cn1 ZINC000179459858 199039363 /nfs/dbraw/zinc/03/93/63/199039363.db2.gz QHUFWMLFBWQENO-JTQLQIEISA-N 0 0 309.370 0.660 10 0 DCAERN COCC(=O)N(C)CC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000179498412 199044825 /nfs/dbraw/zinc/04/48/25/199044825.db2.gz CCZSBXTWRQVXCZ-UHFFFAOYSA-N 0 0 322.287 0.160 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000179414095 199030621 /nfs/dbraw/zinc/03/06/21/199030621.db2.gz JWLOSCDUTWMSPF-STQMWFEESA-N 0 0 306.410 0.745 10 0 DCAERN CCCN1CCCN(S(=O)(=O)N2CCC[C@@H]2C)CC1=O ZINC000364543115 283331169 /nfs/dbraw/zinc/33/11/69/283331169.db2.gz KPSHSTGBUPEKHL-LBPRGKRZSA-N 0 0 303.428 0.660 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000180322956 199145649 /nfs/dbraw/zinc/14/56/49/199145649.db2.gz ZKPUVOYLXQFLPT-QWHCGFSZSA-N 0 0 309.414 0.843 10 0 DCAERN C[C@@H](c1cnn(C)c1)N(C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419324 199156857 /nfs/dbraw/zinc/15/68/57/199156857.db2.gz DCOCVUKBQCYODQ-LBPRGKRZSA-N 0 0 307.398 0.152 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1)[C@H](C)CO ZINC000180602136 199183649 /nfs/dbraw/zinc/18/36/49/199183649.db2.gz PSAJBZOXVNKEQP-NXEZZACHSA-N 0 0 317.349 0.543 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1F ZINC000180728854 199202769 /nfs/dbraw/zinc/20/27/69/199202769.db2.gz PBCBQZDOVNKMCN-LLVKDONJSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000180775431 199207905 /nfs/dbraw/zinc/20/79/05/199207905.db2.gz AWIOVQPBJQLTEK-XQQFMLRXSA-N 0 0 306.428 0.889 10 0 DCAERN CC(=O)NCC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181136101 199255575 /nfs/dbraw/zinc/25/55/75/199255575.db2.gz FGQYQYAZHSDENZ-NSHDSACASA-N 0 0 315.167 0.735 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCOCC1 ZINC000181084302 199250411 /nfs/dbraw/zinc/25/04/11/199250411.db2.gz VFUQOUYUEZPYSH-HNNXBMFYSA-N 0 0 319.405 0.134 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408170339 283389409 /nfs/dbraw/zinc/38/94/09/283389409.db2.gz TWHJVWWKCCPDPR-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1COc2ccccc21 ZINC000155159305 283391530 /nfs/dbraw/zinc/39/15/30/283391530.db2.gz SDAYIOOCIKZQPA-NSHDSACASA-N 0 0 323.312 0.692 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000170717662 237132132 /nfs/dbraw/zinc/13/21/32/237132132.db2.gz FDHBTQHNDMRAPE-MNOVXSKESA-N 0 0 321.343 0.985 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)c1nc2nccc(C)n2n1 ZINC000089801654 192873187 /nfs/dbraw/zinc/87/31/87/192873187.db2.gz DIONRJHCTPXNHZ-SECBINFHSA-N 0 0 305.338 0.894 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)C[C@@H](C)O1 ZINC000178917662 237240874 /nfs/dbraw/zinc/24/08/74/237240874.db2.gz HIRGPNYCXKTOEN-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC(C)(C)O2)co1 ZINC000187380665 200103939 /nfs/dbraw/zinc/10/39/39/200103939.db2.gz ZVQLOFADAPSVEE-JTQLQIEISA-N 0 0 316.379 0.875 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccc(CO)c(F)c1 ZINC000186708932 237323037 /nfs/dbraw/zinc/32/30/37/237323037.db2.gz VVVXTFNYXDKGNU-JTQLQIEISA-N 0 0 309.341 0.690 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000187414524 200109406 /nfs/dbraw/zinc/10/94/06/200109406.db2.gz YWENKQLUFAIIQL-NWDGAFQWSA-N 0 0 308.378 0.928 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)NCC1(CCO)CC1 ZINC000188046129 237365964 /nfs/dbraw/zinc/36/59/64/237365964.db2.gz XRPJNGHTAPIEQH-UHFFFAOYSA-N 0 0 301.350 0.484 10 0 DCAERN OCCOc1cncc(N2CCN(CC(F)(F)F)CC2)n1 ZINC000189130397 237389617 /nfs/dbraw/zinc/38/96/17/237389617.db2.gz JLZWSGMAHMHREC-UHFFFAOYSA-N 0 0 306.288 0.532 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCN1CCO ZINC000188730856 200295720 /nfs/dbraw/zinc/29/57/20/200295720.db2.gz IBZSGBQDHAVETN-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC2CC2)cc1C ZINC000155120655 291218169 /nfs/dbraw/zinc/21/81/69/291218169.db2.gz QMGUGJDZEPTWDI-UHFFFAOYSA-N 0 0 317.389 0.676 10 0 DCAERN CC1(C)CN(CCC(=O)NC2CCCC2)CCS1(=O)=O ZINC000155397633 291219918 /nfs/dbraw/zinc/21/99/18/291219918.db2.gz KGKFQEVWBYMKIL-UHFFFAOYSA-N 0 0 302.440 0.944 10 0 DCAERN CC(C)n1nnnc1CN1C(=O)N[C@](C)(c2cccnc2)C1=O ZINC000155698530 291221179 /nfs/dbraw/zinc/22/11/79/291221179.db2.gz GLZGQXDJZCZJFQ-CQSZACIVSA-N 0 0 315.337 0.616 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CCCO1 ZINC000287911840 219801715 /nfs/dbraw/zinc/80/17/15/219801715.db2.gz VJLWTCOLMQWPLW-NEPJUHHUSA-N 0 0 321.381 0.257 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)CC[C@H](C)O)cc1 ZINC000158994834 291233538 /nfs/dbraw/zinc/23/35/38/291233538.db2.gz JRPJCZYCZMKUEJ-NSHDSACASA-N 0 0 315.391 0.794 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)C3=COCCC3)C2)c1=O ZINC000275622651 238308805 /nfs/dbraw/zinc/30/88/05/238308805.db2.gz JHLIKYBEZYMCBG-CYBMUJFWSA-N 0 0 318.377 0.560 10 0 DCAERN Cc1cc(F)ccc1CN1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000275758352 238311439 /nfs/dbraw/zinc/31/14/39/238311439.db2.gz QORHZEYVYFGBHN-OAHLLOKOSA-N 0 0 309.385 0.752 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)COC[C@@H]2CCCO2)CCN1C ZINC000328616995 291259541 /nfs/dbraw/zinc/25/95/41/291259541.db2.gz CGFGZRXZBHAYAM-UONOGXRCSA-N 0 0 322.409 0.431 10 0 DCAERN CNC(=O)CSc1nc2ccccc2c(=O)n1CCCO ZINC000006366316 181334379 /nfs/dbraw/zinc/33/43/79/181334379.db2.gz MNJNAHHNUATHKQ-UHFFFAOYSA-N 0 0 307.375 0.617 10 0 DCAERN C[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)CCC1=O ZINC000281598639 216411289 /nfs/dbraw/zinc/41/12/89/216411289.db2.gz NSKKMVPHLJLSJE-LBPRGKRZSA-N 0 0 303.362 0.969 10 0 DCAERN CC(=O)c1cccc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000566461693 291304585 /nfs/dbraw/zinc/30/45/85/291304585.db2.gz OGWXHVQBXBOSHX-UHFFFAOYSA-N 0 0 317.345 0.836 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@H]2CCCCO2)CCN1C ZINC000275356037 212289698 /nfs/dbraw/zinc/28/96/98/212289698.db2.gz ISJJYFKAWNQCCD-ZIAGYGMSSA-N 0 0 321.425 0.987 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000430269081 240387103 /nfs/dbraw/zinc/38/71/03/240387103.db2.gz PLAKJTPXUCGGCH-IUCAKERBSA-N 0 0 320.798 0.901 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@]2(C(=O)OC)CCOC2)c1 ZINC000457636625 241021956 /nfs/dbraw/zinc/02/19/56/241021956.db2.gz RNZILYWDIXIMEE-MRXNPFEDSA-N 0 0 321.329 0.844 10 0 DCAERN CCOc1cccc(CNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000457650990 241022772 /nfs/dbraw/zinc/02/27/72/241022772.db2.gz NAYJXJNXFGWFGS-ZDUSSCGKSA-N 0 0 319.365 0.537 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)COC(C)(C)CC ZINC000457756940 241033305 /nfs/dbraw/zinc/03/33/05/241033305.db2.gz HUVANTBLWVZLPN-QWRGUYRKSA-N 0 0 316.398 0.764 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N(C)Cc1ncnn1CC(F)F ZINC000486966006 241076550 /nfs/dbraw/zinc/07/65/50/241076550.db2.gz KFOBPANTLGKFSF-SECBINFHSA-N 0 0 323.369 0.704 10 0 DCAERN COc1ccc(Cl)cc1CNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000457852699 241044966 /nfs/dbraw/zinc/04/49/66/241044966.db2.gz IFTHICZIQYHDSB-ZYHUDNBSSA-N 0 0 314.769 0.843 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(C)=O)C[C@@H]1C ZINC000408321704 291410081 /nfs/dbraw/zinc/41/00/81/291410081.db2.gz RUUKZLDKYWNAHP-WCQGTBRESA-N 0 0 314.407 0.565 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000375855180 291443311 /nfs/dbraw/zinc/44/33/11/291443311.db2.gz ZILNBXNNOMKWFE-RQJABVFESA-N 0 0 310.394 0.365 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000375855181 291443548 /nfs/dbraw/zinc/44/35/48/291443548.db2.gz ZILNBXNNOMKWFE-XJFOESAGSA-N 0 0 310.394 0.365 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000282222041 216835623 /nfs/dbraw/zinc/83/56/23/216835623.db2.gz MZCSDWJYXCDGSJ-GVXVVHGQSA-N 0 0 305.382 0.586 10 0 DCAERN C[C@H]1CN(C(=O)NCCOCC2CCC2)CCS(=O)(=O)C1 ZINC000569301846 291471731 /nfs/dbraw/zinc/47/17/31/291471731.db2.gz JHNQADHWDBXIEK-LBPRGKRZSA-N 0 0 318.439 0.879 10 0 DCAERN O=C([O-])[C@@H]1C[NH2+]CCN1Cc1ccc(Br)nc1 ZINC000095073785 193416425 /nfs/dbraw/zinc/41/64/25/193416425.db2.gz PTRFJRTXYSHYBE-VIFPVBQESA-N 0 0 300.156 0.703 10 0 DCAERN O=C(C1CCN(S(=O)(=O)C2COC2)CC1)N1CCCCC1 ZINC000571354325 291510525 /nfs/dbraw/zinc/51/05/25/291510525.db2.gz FRBSBCQPRVEBTC-UHFFFAOYSA-N 0 0 316.423 0.440 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)CC1=O ZINC000264780635 204149432 /nfs/dbraw/zinc/14/94/32/204149432.db2.gz PRLRDLUREDHVOC-NEPJUHHUSA-N 0 0 317.393 0.797 10 0 DCAERN CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000015623168 182009583 /nfs/dbraw/zinc/00/95/83/182009583.db2.gz DIWLJXODLXRWNM-UHFFFAOYSA-N 0 0 314.363 0.877 10 0 DCAERN CCOC(=O)CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000015864695 182022598 /nfs/dbraw/zinc/02/25/98/182022598.db2.gz XJZRXNIZWRMKDF-UHFFFAOYSA-N 0 0 308.309 0.560 10 0 DCAERN [NH3+][C@H](CS[C@H]1CC(=O)N(c2cccc(O)c2)C1=O)C(=O)[O-] ZINC000016900337 182063076 /nfs/dbraw/zinc/06/30/76/182063076.db2.gz GHBUEXKTVGIPMZ-ZJUUUORDSA-N 0 0 310.331 0.169 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)N1CCNC(=O)C1 ZINC000019230510 182109294 /nfs/dbraw/zinc/10/92/94/182109294.db2.gz XZLRBQCQDLTYCA-VIFPVBQESA-N 0 0 306.391 0.080 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(O)cc1 ZINC000019731564 182139489 /nfs/dbraw/zinc/13/94/89/182139489.db2.gz PVGJZAYOGVYILA-VIFPVBQESA-N 0 0 305.377 0.200 10 0 DCAERN Nc1nnc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 ZINC000020202524 182197232 /nfs/dbraw/zinc/19/72/32/182197232.db2.gz YQKIOXRJVXPUKL-VIFPVBQESA-N 0 0 317.374 0.790 10 0 DCAERN Nc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000020563209 182232719 /nfs/dbraw/zinc/23/27/19/182232719.db2.gz OVXHFMKYVGMQHS-QMMMGPOBSA-N 0 0 324.811 0.388 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000572800824 291589543 /nfs/dbraw/zinc/58/95/43/291589543.db2.gz QIVUYNJTKUZIJD-KBXIAJHMSA-N 0 0 322.405 0.698 10 0 DCAERN CCNC(=O)C(CC(=O)OC)=Nc1ccc(OCCO)cc1 ZINC000021946067 182299344 /nfs/dbraw/zinc/29/93/44/182299344.db2.gz CJZQHTIDKSCUOG-RAXLEYEMSA-N 0 0 308.334 0.663 10 0 DCAERN Cc1cc(C)n(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000027982556 182502624 /nfs/dbraw/zinc/50/26/24/182502624.db2.gz DUWKZKDYEKSYGJ-UHFFFAOYSA-N 0 0 322.390 0.464 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)on2)C1 ZINC000101528213 193816809 /nfs/dbraw/zinc/81/68/09/193816809.db2.gz HRADNSCFUWWSMK-NSHDSACASA-N 0 0 322.365 0.829 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CCCC1 ZINC000408257400 291636958 /nfs/dbraw/zinc/63/69/58/291636958.db2.gz STBXPISZAPDWQT-TUAOUCFPSA-N 0 0 302.396 0.601 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cnn(C)c1 ZINC000248819303 291652303 /nfs/dbraw/zinc/65/23/03/291652303.db2.gz IWMFXUCVQMKMDP-USWWRNFRSA-N 0 0 313.379 0.382 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000573891518 291660828 /nfs/dbraw/zinc/66/08/28/291660828.db2.gz SFNXTDBOAZKTRO-OUAUKWLOSA-N 0 0 307.416 0.133 10 0 DCAERN CCN(C[C@H](C)C(N)=S)S(=O)(=O)c1c(C)n[nH]c1C ZINC000042444033 183271001 /nfs/dbraw/zinc/27/10/01/183271001.db2.gz ZIQIEAOLJVHMGC-ZETCQYMHSA-N 0 0 304.441 0.959 10 0 DCAERN COc1cccc(N2CC[C@@H](CNC(=O)CNC(C)=O)C2)c1 ZINC000102484686 193892159 /nfs/dbraw/zinc/89/21/59/193892159.db2.gz UVFLNCVWVXHSRX-ZDUSSCGKSA-N 0 0 305.378 0.774 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000104356404 194001096 /nfs/dbraw/zinc/00/10/96/194001096.db2.gz KJHUYWNJONKEHR-CABCVRRESA-N 0 0 317.389 0.991 10 0 DCAERN COCc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104781289 194038787 /nfs/dbraw/zinc/03/87/87/194038787.db2.gz INYLCFMHDOCFSE-OAHLLOKOSA-N 0 0 307.394 0.963 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCc1ccnn1C ZINC000104843534 194046316 /nfs/dbraw/zinc/04/63/16/194046316.db2.gz ANARABLRGQLBQH-UHFFFAOYSA-N 0 0 314.349 0.232 10 0 DCAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCNC(=O)CC1 ZINC000105099794 194073311 /nfs/dbraw/zinc/07/33/11/194073311.db2.gz APCBBWQPUUHEBN-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN CC[C@@](C)(O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000105110054 194074702 /nfs/dbraw/zinc/07/47/02/194074702.db2.gz GJZWFYOBGLUJJU-OAHLLOKOSA-N 0 0 307.398 0.906 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCc2cccc(O)c2)cn1 ZINC000105230981 194087186 /nfs/dbraw/zinc/08/71/86/194087186.db2.gz ACSRMNPSQPCDEI-UHFFFAOYSA-N 0 0 317.349 0.699 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105283405 194092607 /nfs/dbraw/zinc/09/26/07/194092607.db2.gz VUUWMDPQLLITEV-HNNXBMFYSA-N 0 0 322.409 0.570 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N(C)C)CC2=O)cc1 ZINC000046826912 183569476 /nfs/dbraw/zinc/56/94/76/183569476.db2.gz DPOBCTVFWDFKEW-QWHCGFSZSA-N 0 0 317.389 0.941 10 0 DCAERN CCOc1ccnc(N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000105903456 194166658 /nfs/dbraw/zinc/16/66/58/194166658.db2.gz FMPMZIBMODXQOO-AWEZNQCLSA-N 0 0 324.425 0.783 10 0 DCAERN CCn1cnnc1C1CCN([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000105929257 194173424 /nfs/dbraw/zinc/17/34/24/194173424.db2.gz MPUTXJWTVWCYFW-SNVBAGLBSA-N 0 0 308.386 0.322 10 0 DCAERN CCCn1nccc1NC(=O)NCCCN1C(=O)CCC1=O ZINC000106252078 194193026 /nfs/dbraw/zinc/19/30/26/194193026.db2.gz OMSPNRRATXWNKI-UHFFFAOYSA-N 0 0 307.354 0.954 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000106429626 194213678 /nfs/dbraw/zinc/21/36/78/194213678.db2.gz SBDNEYWVBNELFX-ZIAGYGMSSA-N 0 0 310.419 0.463 10 0 DCAERN CCC(C)(C)NC(=O)CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000109767783 194284087 /nfs/dbraw/zinc/28/40/87/194284087.db2.gz MHRXGBTVVWXKTE-GFCCVEGCSA-N 0 0 302.440 0.943 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)CN1CCC(=O)NC1=O ZINC000110244433 194318114 /nfs/dbraw/zinc/31/81/14/194318114.db2.gz YCJQNVNICVWMFH-UHFFFAOYSA-N 0 0 307.325 0.769 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2(C)C)s1 ZINC000110707779 194353656 /nfs/dbraw/zinc/35/36/56/194353656.db2.gz MXRXZRSUBGDEEC-UHFFFAOYSA-N 0 0 309.391 0.735 10 0 DCAERN CS(=O)(=O)N1CCN(Cc2ccc(Cl)c(N)c2)CC1 ZINC000057632410 184043177 /nfs/dbraw/zinc/04/31/77/184043177.db2.gz ATVCRYWFPMTQPL-UHFFFAOYSA-N 0 0 303.815 0.999 10 0 DCAERN COc1c(C(=O)N2CCN(c3cccnn3)CC2)c(C)nn1C ZINC000112282105 194450752 /nfs/dbraw/zinc/45/07/52/194450752.db2.gz QOXKXXDSYMJVRE-UHFFFAOYSA-N 0 0 316.365 0.490 10 0 DCAERN COC(=O)/C=C1\S[C@@H](NC(=O)c2ccc(C)cc2)NC1=O ZINC000058899804 184130717 /nfs/dbraw/zinc/13/07/17/184130717.db2.gz VMNJVEJQKFZFEF-YHAOYDPOSA-N 0 0 306.343 0.928 10 0 DCAERN C[C@@H](O)c1ccccc1NS(=O)(=O)CCS(C)(=O)=O ZINC000063143447 184273750 /nfs/dbraw/zinc/27/37/50/184273750.db2.gz WCVFRJPZROJXGG-SECBINFHSA-N 0 0 307.393 0.526 10 0 DCAERN CCCC[C@H](NC(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000066114450 184390618 /nfs/dbraw/zinc/39/06/18/184390618.db2.gz SVYBIBUBSIRAHX-RDBSUJKOSA-N 0 0 308.378 0.677 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)NC(=O)CO2 ZINC000112661358 194498073 /nfs/dbraw/zinc/49/80/73/194498073.db2.gz YEXJMANKLQNJKV-JTQLQIEISA-N 0 0 313.317 0.354 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000112856859 194529316 /nfs/dbraw/zinc/52/93/16/194529316.db2.gz NUBFYTZAFWZMIZ-NSHDSACASA-N 0 0 318.377 0.934 10 0 DCAERN CC(C)(C)CNC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086449961 252588316 /nfs/dbraw/zinc/58/83/16/252588316.db2.gz KFVACXDPOXGXAN-UHFFFAOYSA-N 0 0 302.338 0.763 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cccc(Cl)n1 ZINC000183854818 252612352 /nfs/dbraw/zinc/61/23/52/252612352.db2.gz NTRNZGBUZMIZBH-SNVBAGLBSA-N 0 0 314.773 0.550 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)CC(C)C ZINC000097015120 252591516 /nfs/dbraw/zinc/59/15/16/252591516.db2.gz DBTPILFTTHLVHL-JTQLQIEISA-N 0 0 302.400 0.835 10 0 DCAERN Cc1cnc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)o1 ZINC000333007660 252669944 /nfs/dbraw/zinc/66/99/44/252669944.db2.gz AJFVASKGQYYJBR-UHFFFAOYSA-N 0 0 314.411 0.947 10 0 DCAERN O=C(CN1CC(=O)N(CC2CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000333133325 252685178 /nfs/dbraw/zinc/68/51/78/252685178.db2.gz IYZJOMDMMPTIRV-CABCVRRESA-N 0 0 321.421 0.668 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn3ccnc3s2)CCS(=O)(=O)C1 ZINC000333431224 252721649 /nfs/dbraw/zinc/72/16/49/252721649.db2.gz KBPCGANJHWSMQP-SECBINFHSA-N 0 0 313.404 0.903 10 0 DCAERN CN(C)c1cc(NC(=O)N2CCN(C(=O)C3CC3)C2)ncn1 ZINC000333593761 252741367 /nfs/dbraw/zinc/74/13/67/252741367.db2.gz VNBAHVHHBONILV-UHFFFAOYSA-N 0 0 304.354 0.586 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@@](C)(F)C2)nn1 ZINC000333628416 252745506 /nfs/dbraw/zinc/74/55/06/252745506.db2.gz VIVXUQMZBONTOV-YRGRVCCFSA-N 0 0 312.345 0.829 10 0 DCAERN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)[C@@H]1CCOC1)C2=O ZINC000329262204 296361044 /nfs/dbraw/zinc/36/10/44/296361044.db2.gz FCNKFYPAXNMXDT-HSMVNMDESA-N 0 0 323.393 0.939 10 0 DCAERN COc1cnc(C(=O)NCC2(C(=O)N(C)C)CCCC2)nc1 ZINC000340333266 253239809 /nfs/dbraw/zinc/23/98/09/253239809.db2.gz SEAALIQYSVGELK-UHFFFAOYSA-N 0 0 306.366 0.864 10 0 DCAERN Cc1noc([C@@H]2C[C@@H](O)CN2CC(=O)NCc2cccs2)n1 ZINC000341110892 253345142 /nfs/dbraw/zinc/34/51/42/253345142.db2.gz VAQOKQHOAJXVLR-PWSUYJOCSA-N 0 0 322.390 0.864 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NCC(C)(C)O)c1 ZINC000343768312 253700260 /nfs/dbraw/zinc/70/02/60/253700260.db2.gz OKDIKHPZHJEOFU-UHFFFAOYSA-N 0 0 307.350 0.495 10 0 DCAERN COCc1cccc(CNC(=O)CN2C[C@H](F)C[C@@H]2C(N)=O)c1 ZINC000346093507 254009557 /nfs/dbraw/zinc/00/95/57/254009557.db2.gz XMLAAXBCHRXWQU-ZIAGYGMSSA-N 0 0 323.368 0.347 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCCOCC1 ZINC000347531570 254165725 /nfs/dbraw/zinc/16/57/25/254165725.db2.gz UMLYTMHCCRWURW-UHFFFAOYSA-N 0 0 319.361 0.857 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](F)C[C@@H]1C(N)=O ZINC000347382697 254152355 /nfs/dbraw/zinc/15/23/55/254152355.db2.gz XCDNKIGIRNFRDA-TVQRCGJNSA-N 0 0 310.373 0.512 10 0 DCAERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1nc[nH]n1 ZINC000177429543 220454366 /nfs/dbraw/zinc/45/43/66/220454366.db2.gz SLSQHTSGKROCFC-JTQLQIEISA-N 0 0 310.379 0.481 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)NCc1ccc(C(F)F)cc1 ZINC000185176909 220456392 /nfs/dbraw/zinc/45/63/92/220456392.db2.gz LYROSRHACJVZIN-UHFFFAOYSA-N 0 0 313.304 0.493 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000262261346 220466606 /nfs/dbraw/zinc/46/66/06/220466606.db2.gz MFZUOUZYYCTXSI-DOMZBBRYSA-N 0 0 305.378 0.828 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC[C@H](C)O ZINC000347920631 254202110 /nfs/dbraw/zinc/20/21/10/254202110.db2.gz XDQJZCQMIZRNTO-JTQLQIEISA-N 0 0 307.350 0.495 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC2(S(C)(=O)=O)CC2)C1 ZINC000408338485 296396467 /nfs/dbraw/zinc/39/64/67/296396467.db2.gz ZVNZJKIGXYOXEG-SNVBAGLBSA-N 0 0 310.441 0.130 10 0 DCAERN C[C@@H](CNC(=O)COc1ccccc1Cl)S(N)(=O)=O ZINC000350618061 254319530 /nfs/dbraw/zinc/31/95/30/254319530.db2.gz BOXGFTKKZAWNDM-QMMMGPOBSA-N 0 0 306.771 0.512 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(OC(F)F)cc1)S(N)(=O)=O ZINC000350620402 254319713 /nfs/dbraw/zinc/31/97/13/254319713.db2.gz NJJZBUZKDOILRK-ZETCQYMHSA-N 0 0 308.306 0.695 10 0 DCAERN Cc1cc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)ccc1Cl ZINC000350628228 254321135 /nfs/dbraw/zinc/32/11/35/254321135.db2.gz IGBASACLXKUYLO-SECBINFHSA-N 0 0 320.798 0.820 10 0 DCAERN CN(C[C@@H]1C[C@@H](F)CN1Cc1cnn(C)c1)C(=O)[C@@H]1CCCO1 ZINC000351803638 254370705 /nfs/dbraw/zinc/37/07/05/254370705.db2.gz FTNAXWYTOHLKKM-ILXRZTDVSA-N 0 0 324.400 0.970 10 0 DCAERN CC(=O)c1cc(NC(=O)NC[C@@H](C)S(N)(=O)=O)ccc1F ZINC000352105447 254399685 /nfs/dbraw/zinc/39/96/85/254399685.db2.gz HJRVAFPUNCBYJL-SSDOTTSWSA-N 0 0 317.342 0.827 10 0 DCAERN CC[N@@H+]1CCC[C@@H]1CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000216053424 285255893 /nfs/dbraw/zinc/25/58/93/285255893.db2.gz VFTQFIAOSCQNOF-OHHDELOUSA-N 0 0 306.362 0.337 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000152758176 533207956 /nfs/dbraw/zinc/20/79/56/533207956.db2.gz KPJMGTVQDOPEEM-VXGBXAGGSA-N 0 0 306.428 0.747 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cnn(C)c2N)cn1 ZINC000299743551 533209658 /nfs/dbraw/zinc/20/96/58/533209658.db2.gz OCLRPTGRPNSKBJ-WCQYABFASA-N 0 0 317.349 0.666 10 0 DCAERN Cn1cc(CN2C[C@@H]3OC[C@@H](CC(=O)N4CCCO4)[C@@H]3C2)cn1 ZINC000248156249 257107908 /nfs/dbraw/zinc/10/79/08/257107908.db2.gz VTFLESQSCZLIJG-ILXRZTDVSA-N 0 0 320.393 0.421 10 0 DCAERN Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4CCCO4)C3)CC2=O)cn1 ZINC000248127443 257108314 /nfs/dbraw/zinc/10/83/14/257108314.db2.gz MCNTVUUARCKFOO-XJKSGUPXSA-N 0 0 318.377 0.555 10 0 DCAERN CN(C)C(=O)CO[C@@H]1Cn2nccc2CN(c2ncccn2)C1 ZINC000247996772 257111895 /nfs/dbraw/zinc/11/18/95/257111895.db2.gz MVCFQIMKBLWPJL-ZDUSSCGKSA-N 0 0 316.365 0.167 10 0 DCAERN C[C@H]1CN(c2ncccn2)C[C@@]12CCN(CC(=O)N(C)C)C2=O ZINC000247976317 257112995 /nfs/dbraw/zinc/11/29/95/257112995.db2.gz IMGAFEUPFGSXPQ-LRDDRELGSA-N 0 0 317.393 0.240 10 0 DCAERN COCCN1CCO[C@@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]21 ZINC000247899533 257115064 /nfs/dbraw/zinc/11/50/64/257115064.db2.gz VPNSAIBPCLZQCR-LSDHHAIUSA-N 0 0 306.362 0.564 10 0 DCAERN COCC(=O)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 ZINC000247841148 257115892 /nfs/dbraw/zinc/11/58/92/257115892.db2.gz NYRKMXPZFPWTHE-HOCLYGCPSA-N 0 0 306.362 0.720 10 0 DCAERN O=C([C@@H]1COC[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21)N1CCOCC1 ZINC000247767252 257117907 /nfs/dbraw/zinc/11/79/07/257117907.db2.gz LOPJKKHFROHZSQ-HRCADAONSA-N 0 0 320.389 0.833 10 0 DCAERN CS(=O)(=O)N1C[C@@H]2CCCN(Cc3nccs3)[C@@H]2C1 ZINC000247488216 257119517 /nfs/dbraw/zinc/11/95/17/257119517.db2.gz APTNZZABVBUHDU-WDEREUQCSA-N 0 0 301.437 0.999 10 0 DCAERN CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CC1=O ZINC000246090379 285448117 /nfs/dbraw/zinc/44/81/17/285448117.db2.gz CKGRQQPHYPQJNE-XJFOESAGSA-N 0 0 310.394 0.650 10 0 DCAERN C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)CCCO1 ZINC000275833312 130394070 /nfs/dbraw/zinc/39/40/70/130394070.db2.gz VNJURPJNGHZOFU-ABAIWWIYSA-N 0 0 306.366 0.836 10 0 DCAERN Cc1cc(CNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000283803878 131025571 /nfs/dbraw/zinc/02/55/71/131025571.db2.gz BJCLGVJHXWYRGP-ZIAGYGMSSA-N 0 0 307.398 0.343 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 ZINC000283936575 131034501 /nfs/dbraw/zinc/03/45/01/131034501.db2.gz FLKBRMANVVIJRD-CHWSQXEVSA-N 0 0 304.346 0.960 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)CCc2ccccc2)C1 ZINC000284334631 131071013 /nfs/dbraw/zinc/07/10/13/131071013.db2.gz AQJDPJWNJFUVJO-STQMWFEESA-N 0 0 312.391 0.134 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC000284387486 131076307 /nfs/dbraw/zinc/07/63/07/131076307.db2.gz BBFPYFMEKMVTNC-KBPBESRZSA-N 0 0 301.350 0.503 10 0 DCAERN O=C(CCOCc1ccccc1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284542409 131090330 /nfs/dbraw/zinc/09/03/30/131090330.db2.gz FYIMBZMNRYPCHY-INIZCTEOSA-N 0 0 316.361 0.832 10 0 DCAERN Cc1nc(N2CCC[C@](O)(C(N)=O)C2)ccc1Br ZINC000284552831 131091840 /nfs/dbraw/zinc/09/18/40/131091840.db2.gz HMDHVHSYVPOZCF-GFCCVEGCSA-N 0 0 314.183 0.969 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)CN3CCCCC3=O)CCN2C)n1 ZINC000284628168 131099041 /nfs/dbraw/zinc/09/90/41/131099041.db2.gz LNCHZVXOFFFXOR-GFCCVEGCSA-N 0 0 321.381 0.206 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1C ZINC000284864262 131116757 /nfs/dbraw/zinc/11/67/57/131116757.db2.gz FNHIYGWTKPYSDX-ZJUUUORDSA-N 0 0 318.374 0.106 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285375683 131162664 /nfs/dbraw/zinc/16/26/64/131162664.db2.gz FPVDWGUYKITSSK-OAHLLOKOSA-N 0 0 310.325 0.216 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cnn1C ZINC000285422513 131166324 /nfs/dbraw/zinc/16/63/24/131166324.db2.gz NHRHAGKZRGYXND-KGLIPLIRSA-N 0 0 307.398 0.343 10 0 DCAERN CCc1nnc2ccc(N3CCN(c4cccnn4)CC3)nn21 ZINC000068697414 134843203 /nfs/dbraw/zinc/84/32/03/134843203.db2.gz HCHBQKDSEBVHAK-UHFFFAOYSA-N 0 0 310.365 0.803 10 0 DCAERN CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccncn1 ZINC000012718389 395687990 /nfs/dbraw/zinc/68/79/90/395687990.db2.gz VBMNEODZBIYRRZ-AWEZNQCLSA-N 0 0 319.409 0.282 10 0 DCAERN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)[O-] ZINC000013646344 395688803 /nfs/dbraw/zinc/68/88/03/395688803.db2.gz UXBZYLSMYOATLH-DCAQKATOSA-N 0 0 301.387 0.090 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC ZINC000025199377 395693238 /nfs/dbraw/zinc/69/32/38/395693238.db2.gz WNRSFSUADSLLRY-FZMZJTMJSA-N 0 0 305.378 0.693 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC ZINC000025199364 395693248 /nfs/dbraw/zinc/69/32/48/395693248.db2.gz WNRSFSUADSLLRY-SMDDNHRTSA-N 0 0 305.378 0.693 10 0 DCAERN CCn1cc(/C=C2\N=C(SCC(N)=O)N(CC)C2=O)cn1 ZINC000002785478 395681976 /nfs/dbraw/zinc/68/19/76/395681976.db2.gz FCXKROYMRAQHJW-YHYXMXQVSA-N 0 0 307.379 0.681 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccnn2C)C1=O ZINC000030650988 395703585 /nfs/dbraw/zinc/70/35/85/395703585.db2.gz CRTCLDLHPYGYHR-NSHDSACASA-N 0 0 314.345 0.850 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H]1O ZINC000089408407 395710834 /nfs/dbraw/zinc/71/08/34/395710834.db2.gz KINFNNIACFRCCN-FZMZJTMJSA-N 0 0 301.346 0.626 10 0 DCAERN C[C@@H]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H]1O ZINC000089411386 395711246 /nfs/dbraw/zinc/71/12/46/395711246.db2.gz HXBWGKCOSLPSMA-KOLCDFICSA-N 0 0 316.379 0.373 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)co1 ZINC000089415584 395711293 /nfs/dbraw/zinc/71/12/93/395711293.db2.gz JHDUZZKISZEMLF-WPRPVWTQSA-N 0 0 302.352 0.031 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)C[C@@H]1O ZINC000089426796 395711775 /nfs/dbraw/zinc/71/17/75/395711775.db2.gz YASIHYGMAVHUQX-RISCZKNCSA-N 0 0 303.362 0.569 10 0 DCAERN CCOC(=O)c1cn(C)nc1S(=O)(=O)N(C)c1cccnc1 ZINC000033895585 395717494 /nfs/dbraw/zinc/71/74/94/395717494.db2.gz WEDRPWBCHPXYQQ-UHFFFAOYSA-N 0 0 324.362 0.817 10 0 DCAERN C#Cc1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)cc1 ZINC000034437000 395718296 /nfs/dbraw/zinc/71/82/96/395718296.db2.gz LLIOKEUXNHKVHC-ZDUSSCGKSA-N 0 0 303.314 0.893 10 0 DCAERN C[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000092412516 395730730 /nfs/dbraw/zinc/73/07/30/395730730.db2.gz SNSYFPMSJVMMAP-CHWSQXEVSA-N 0 0 319.409 0.616 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1Cl ZINC000038109922 395731337 /nfs/dbraw/zinc/73/13/37/395731337.db2.gz UZLDBWUCPBOBLM-SNVBAGLBSA-N 0 0 318.830 0.932 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)CCCO)cc1 ZINC000094941362 395740368 /nfs/dbraw/zinc/74/03/68/395740368.db2.gz USMPTAJUXUMHNW-LLVKDONJSA-N 0 0 315.391 0.841 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000040446257 395733598 /nfs/dbraw/zinc/73/35/98/395733598.db2.gz XYFOJMLQSNLGIA-ZDUSSCGKSA-N 0 0 310.375 0.788 10 0 DCAERN CC1CCN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000042746970 395748420 /nfs/dbraw/zinc/74/84/20/395748420.db2.gz DKUMPISUGRSJJZ-RYUDHWBXSA-N 0 0 303.428 0.549 10 0 DCAERN COC(=O)CN(C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000096560777 395754769 /nfs/dbraw/zinc/75/47/69/395754769.db2.gz UBQZMBFVKRKBNL-VIFPVBQESA-N 0 0 304.302 0.303 10 0 DCAERN CC1(C)O[C@H]2OC(CO)(CO)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000106403231 395782490 /nfs/dbraw/zinc/78/24/90/395782490.db2.gz QVXXTLFHRGMIHD-MJBXVCDLSA-N 0 0 310.346 0.803 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000193943395 395784020 /nfs/dbraw/zinc/78/40/20/395784020.db2.gz PKYGUGXEQWXNOY-VIFPVBQESA-N 0 0 318.370 0.214 10 0 DCAERN C[C@@H](NC(=O)c1csnn1)c1ccc(S(N)(=O)=O)cc1 ZINC000108276121 395786751 /nfs/dbraw/zinc/78/67/51/395786751.db2.gz BFOHNQFBQLUVTQ-SSDOTTSWSA-N 0 0 312.376 0.677 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000045828606 395766835 /nfs/dbraw/zinc/76/68/35/395766835.db2.gz MGOVJZGYHVMXIT-SECBINFHSA-N 0 0 308.338 0.057 10 0 DCAERN Cc1noc(NC(=O)C2CCN(Cc3nccn3C)CC2)n1 ZINC000193795133 395778687 /nfs/dbraw/zinc/77/86/87/395778687.db2.gz VXNRWIWCJRQVCJ-UHFFFAOYSA-N 0 0 304.354 0.962 10 0 DCAERN CCOc1ccccc1OCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194632520 395802864 /nfs/dbraw/zinc/80/28/64/395802864.db2.gz GBSHYVHPANRLSE-CYBMUJFWSA-N 0 0 308.378 0.911 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C)C(=O)NCc2ccco2)c1 ZINC000118067053 395858161 /nfs/dbraw/zinc/85/81/61/395858161.db2.gz BSGJZRSYOLXFPL-GFCCVEGCSA-N 0 0 319.365 0.789 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCCCNC1=O ZINC000047972109 395804938 /nfs/dbraw/zinc/80/49/38/395804938.db2.gz FZNBMTAPEAGFRH-CYBMUJFWSA-N 0 0 314.345 0.181 10 0 DCAERN O=C(NCCn1ccnc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111787780 395813288 /nfs/dbraw/zinc/81/32/88/395813288.db2.gz RNDLLAOMBXJHGT-ZDUSSCGKSA-N 0 0 304.354 0.190 10 0 DCAERN CCc1nnc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)n1C ZINC000195058883 395815004 /nfs/dbraw/zinc/81/50/04/395815004.db2.gz YQBYCSWEIXAULW-CYBMUJFWSA-N 0 0 322.457 0.410 10 0 DCAERN COCCCNC(=O)C1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195103787 395816041 /nfs/dbraw/zinc/81/60/41/395816041.db2.gz RDFHCLAJDUVXSV-UHFFFAOYSA-N 0 0 324.429 0.619 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000112391108 395817052 /nfs/dbraw/zinc/81/70/52/395817052.db2.gz SFVWMXXQJXJMOD-UKRRQHHQSA-N 0 0 307.394 0.658 10 0 DCAERN CCc1cccc(OC[C@H](O)Cn2nc(C(N)=O)ccc2=O)c1 ZINC000195421909 395826126 /nfs/dbraw/zinc/82/61/26/395826126.db2.gz LNSOWRZHKMLTLY-GFCCVEGCSA-N 0 0 317.345 0.345 10 0 DCAERN CCCCNC(=O)CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195429163 395826380 /nfs/dbraw/zinc/82/63/80/395826380.db2.gz OXBWAIDZEGNMFY-UHFFFAOYSA-N 0 0 303.388 0.085 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000195490513 395829618 /nfs/dbraw/zinc/82/96/18/395829618.db2.gz TWMVAGMDEAFOMW-MFKMUULPSA-N 0 0 310.423 0.865 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115357 395859698 /nfs/dbraw/zinc/85/96/98/395859698.db2.gz RQLRAARSNWYUSL-LBPRGKRZSA-N 0 0 309.341 0.519 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000211229967 395835351 /nfs/dbraw/zinc/83/53/51/395835351.db2.gz HZGWYKYUWFCKEF-ZIAGYGMSSA-N 0 0 317.345 0.317 10 0 DCAERN CCn1cc(NC(=O)NC[C@@H](C)N2CCOCC2)ccc1=O ZINC000050038265 395836077 /nfs/dbraw/zinc/83/60/77/395836077.db2.gz HQKLZTUWECYTSA-GFCCVEGCSA-N 0 0 308.382 0.710 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115577 395860136 /nfs/dbraw/zinc/86/01/36/395860136.db2.gz QZKDCLIPPOLNDW-LBPRGKRZSA-N 0 0 309.341 0.519 10 0 DCAERN CC(=O)N1CCc2ccc(S(=O)(=O)NCC3(C)COC3)cc21 ZINC000115580531 395840836 /nfs/dbraw/zinc/84/08/36/395840836.db2.gz RZOSSMWKGNYHJE-UHFFFAOYSA-N 0 0 324.402 0.910 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116419336 395843651 /nfs/dbraw/zinc/84/36/51/395843651.db2.gz BCGHZWXRGVFGST-UONOGXRCSA-N 0 0 321.425 0.640 10 0 DCAERN CNC(=O)C1(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000116781891 395845659 /nfs/dbraw/zinc/84/56/59/395845659.db2.gz IAHOKRJBBDNOON-CYBMUJFWSA-N 0 0 319.409 0.660 10 0 DCAERN CO[C@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116831198 395846427 /nfs/dbraw/zinc/84/64/27/395846427.db2.gz SGOKTYCNPZRSNE-STQMWFEESA-N 0 0 312.391 0.524 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000116832831 395847160 /nfs/dbraw/zinc/84/71/60/395847160.db2.gz XIJWOUPTJFYPJG-QMMMGPOBSA-N 0 0 304.318 0.729 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cn1 ZINC000271225394 395848577 /nfs/dbraw/zinc/84/85/77/395848577.db2.gz OMGGCEDUPHOXPA-JQWIXIFHSA-N 0 0 317.349 0.455 10 0 DCAERN CNC(=O)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116891309 395848600 /nfs/dbraw/zinc/84/86/00/395848600.db2.gz WEYCUBVSXWLRAV-ZDUSSCGKSA-N 0 0 311.407 0.170 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CCO1 ZINC000051467389 395850587 /nfs/dbraw/zinc/85/05/87/395850587.db2.gz KNNOPMBTMZBCAV-CQSZACIVSA-N 0 0 304.346 0.597 10 0 DCAERN COCCN1CCN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C ZINC000117285311 395850997 /nfs/dbraw/zinc/85/09/97/395850997.db2.gz DRLDQCGZWGAXSA-CQSZACIVSA-N 0 0 319.405 0.596 10 0 DCAERN COC(=O)CCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000051529681 395851624 /nfs/dbraw/zinc/85/16/24/395851624.db2.gz ANMHXLKNXZYRRL-ZDUSSCGKSA-N 0 0 317.349 0.526 10 0 DCAERN Cc1cnn(CCNC(=O)c2sccc2-n2cnnn2)c1 ZINC000117811235 395855133 /nfs/dbraw/zinc/85/51/33/395855133.db2.gz QCWDRUGSASMAGO-UHFFFAOYSA-N 0 0 303.351 0.659 10 0 DCAERN Cc1cnn(CCNC(=O)CSc2nnnn2C2CC2)c1 ZINC000117815247 395855350 /nfs/dbraw/zinc/85/53/50/395855350.db2.gz IZDFPDXLYAOPBF-UHFFFAOYSA-N 0 0 307.383 0.421 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000270632805 395791679 /nfs/dbraw/zinc/79/16/79/395791679.db2.gz LWOYQPDJWWOYAK-SSDOTTSWSA-N 0 0 302.128 0.925 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)NC1(CO)CC1 ZINC000224031496 395857608 /nfs/dbraw/zinc/85/76/08/395857608.db2.gz JTXRMOMJOYELKG-UHFFFAOYSA-N 0 0 303.311 0.416 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000194282740 395792552 /nfs/dbraw/zinc/79/25/52/395792552.db2.gz NMQULMJZLJXSLM-CHWSQXEVSA-N 0 0 323.397 0.950 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630054 395802296 /nfs/dbraw/zinc/80/22/96/395802296.db2.gz FJMJUXJZDPKPQO-JSGCOSHPSA-N 0 0 304.346 0.215 10 0 DCAERN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCNC(=O)CC1 ZINC000122612516 395887874 /nfs/dbraw/zinc/88/78/74/395887874.db2.gz WGSKGGBJSQFJQX-ZDUSSCGKSA-N 0 0 301.390 0.782 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCn1cccc1 ZINC000234575585 395888946 /nfs/dbraw/zinc/88/89/46/395888946.db2.gz QXDSDAMNHPSAMW-NEPJUHHUSA-N 0 0 300.380 0.749 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000122731172 395889125 /nfs/dbraw/zinc/88/91/25/395889125.db2.gz KZLIDTLWVLTBLT-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000123361213 395893624 /nfs/dbraw/zinc/89/36/24/395893624.db2.gz GKHHUTCGKMIPPB-BDJLRTHQSA-N 0 0 314.345 0.955 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H](C)O1 ZINC000123928512 395898439 /nfs/dbraw/zinc/89/84/39/395898439.db2.gz OWEWGKJPRNEOTL-YPMHNXCESA-N 0 0 317.349 0.425 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@H]1COCCN1)Cc1cccc(C)c1 ZINC000237084155 395902158 /nfs/dbraw/zinc/90/21/58/395902158.db2.gz AYENCOKIMZXDFD-HUUCEWRRSA-N 0 0 320.389 0.431 10 0 DCAERN CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1COCCN1 ZINC000237201077 395906319 /nfs/dbraw/zinc/90/63/19/395906319.db2.gz RTYPLBJZSDRZRX-HNNXBMFYSA-N 0 0 314.389 0.878 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccsc2)CC1 ZINC000125870484 395907374 /nfs/dbraw/zinc/90/73/74/395907374.db2.gz BVCPHVHHKNSBMO-LBPRGKRZSA-N 0 0 311.407 0.602 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NC(=O)NC1CCCCC1 ZINC000126070668 395909122 /nfs/dbraw/zinc/90/91/22/395909122.db2.gz LALPMTAMNGJNHC-UHFFFAOYSA-N 0 0 308.426 0.925 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000245514906 395930384 /nfs/dbraw/zinc/93/03/84/395930384.db2.gz CLZDPPMHRLYFFN-GHMZBOCLSA-N 0 0 300.384 0.841 10 0 DCAERN C[C@@H](NC(=O)[C@H]1COCCN1)c1ccc(N2CCCC2=O)cc1 ZINC000237443168 395912607 /nfs/dbraw/zinc/91/26/07/395912607.db2.gz FAQVMDGKHONRSC-IUODEOHRSA-N 0 0 317.389 0.979 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1F ZINC000130131561 395922041 /nfs/dbraw/zinc/92/20/41/395922041.db2.gz ZCXFXIUQSWBSDN-JTQLQIEISA-N 0 0 310.325 0.811 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1COCCN1 ZINC000238133494 395922182 /nfs/dbraw/zinc/92/21/82/395922182.db2.gz HNKVUEQVJXIFRK-ZIAGYGMSSA-N 0 0 309.410 0.272 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000131028930 395924073 /nfs/dbraw/zinc/92/40/73/395924073.db2.gz BMMFEDBFHFKXHL-DGCLKSJQSA-N 0 0 318.377 0.934 10 0 DCAERN Cc1nc(CNC(=O)CCNS(=O)(=O)c2ccccc2)no1 ZINC000118647467 395862798 /nfs/dbraw/zinc/86/27/98/395862798.db2.gz DRFKUVBFRIXLTA-UHFFFAOYSA-N 0 0 324.362 0.363 10 0 DCAERN COc1ccc(N2C[C@@H](C(=O)NCC[C@@H](C)O)CC2=O)cc1 ZINC000118720508 395863837 /nfs/dbraw/zinc/86/38/37/395863837.db2.gz XWMWDDBGSDGTEQ-NEPJUHHUSA-N 0 0 306.362 0.935 10 0 DCAERN CC(C)NS(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)O)c1 ZINC000118718306 395863866 /nfs/dbraw/zinc/86/38/66/395863866.db2.gz UIQGTIHVKSQADZ-LLVKDONJSA-N 0 0 314.407 0.874 10 0 DCAERN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCC[C@@H](C)O ZINC000118718585 395863900 /nfs/dbraw/zinc/86/39/00/395863900.db2.gz KRTRRTIHWRHMQS-QMTHXVAHSA-N 0 0 321.356 0.792 10 0 DCAERN CCN(C(=O)N[C@H]1CCCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000052593291 395865636 /nfs/dbraw/zinc/86/56/36/395865636.db2.gz XQQKXHPOBRZUCQ-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000227643287 395869380 /nfs/dbraw/zinc/86/93/80/395869380.db2.gz HDAACCQWDKWEMX-ZYHUDNBSSA-N 0 0 304.412 0.030 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000119316843 395870050 /nfs/dbraw/zinc/87/00/50/395870050.db2.gz MTKSRXGKJYBWGX-NSHDSACASA-N 0 0 315.320 0.779 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000119316932 395870058 /nfs/dbraw/zinc/87/00/58/395870058.db2.gz MTKSRXGKJYBWGX-LLVKDONJSA-N 0 0 315.320 0.779 10 0 DCAERN C[C@@H](O)C[N@@H+]1CCN(CC(=O)[N-]OCc2ccccc2)C[C@H]1C ZINC000119397345 395870801 /nfs/dbraw/zinc/87/08/01/395870801.db2.gz DQGMOQLOCNGLLU-HUUCEWRRSA-N 0 0 321.421 0.621 10 0 DCAERN CN(C)C(=O)CN(CCc1cccc(F)c1)CC(=O)N(C)C ZINC000119742770 395875130 /nfs/dbraw/zinc/87/51/30/395875130.db2.gz UKHGATVDAISJKI-UHFFFAOYSA-N 0 0 309.385 0.847 10 0 DCAERN CN1CC[C@H](Nc2ncncc2I)C1=O ZINC000230270133 395880183 /nfs/dbraw/zinc/88/01/83/395880183.db2.gz VAOOWBXQCIXBPZ-ZETCQYMHSA-N 0 0 318.118 0.724 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@](C)(O)CC2)C[C@H](C)O1 ZINC000230371482 395881820 /nfs/dbraw/zinc/88/18/20/395881820.db2.gz MONYGXNOESKRDP-FRRDWIJNSA-N 0 0 306.428 0.577 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000121559084 395884501 /nfs/dbraw/zinc/88/45/01/395884501.db2.gz TTYOHEVLQOFLBZ-AWEZNQCLSA-N 0 0 307.375 0.767 10 0 DCAERN CCS(=O)(=O)NCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248832521 395998354 /nfs/dbraw/zinc/99/83/54/395998354.db2.gz LNKZWIJPGSQEQP-AVGNSLFASA-N 0 0 318.439 0.589 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000245716834 395935442 /nfs/dbraw/zinc/93/54/42/395935442.db2.gz CXEKPWBWRUMODZ-KBPBESRZSA-N 0 0 308.378 0.229 10 0 DCAERN Cc1cnn(C[C@H]2CN([C@H](C)CN3CCOCC3)CCO2)c1 ZINC000245940099 395938912 /nfs/dbraw/zinc/93/89/12/395938912.db2.gz APHLYPZJHIQQIM-HZPDHXFCSA-N 0 0 308.426 0.613 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135293027 395939111 /nfs/dbraw/zinc/93/91/11/395939111.db2.gz QIYVHGALPGPGTK-OLZOCXBDSA-N 0 0 317.393 0.430 10 0 DCAERN C[C@H](CNC(=O)c1cccc(-n2cccn2)n1)N1CCOCC1 ZINC000135373033 395939252 /nfs/dbraw/zinc/93/92/52/395939252.db2.gz HDJUERQYJBNLBS-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](C(N)=O)C(C)C ZINC000135449736 395940390 /nfs/dbraw/zinc/94/03/90/395940390.db2.gz VUDHJOYYHGISIP-ONGXEEELSA-N 0 0 308.386 0.485 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)NCc1ccco1 ZINC000135550044 395941296 /nfs/dbraw/zinc/94/12/96/395941296.db2.gz VTPSCJYWKPXEDS-JBLDHEPKSA-N 0 0 316.379 0.381 10 0 DCAERN CN(C(=O)[C@@H]1CNC(=O)C1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246109894 395941690 /nfs/dbraw/zinc/94/16/90/395941690.db2.gz DUSUNCFIKZVKHW-NWDGAFQWSA-N 0 0 303.366 0.040 10 0 DCAERN NC(=O)NCC(=O)NCCOc1ncc(Cl)cc1Cl ZINC000135860101 395942996 /nfs/dbraw/zinc/94/29/96/395942996.db2.gz CUFACCMVXCFTGV-UHFFFAOYSA-N 0 0 307.137 0.552 10 0 DCAERN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@@H](C)O ZINC000136102814 395944396 /nfs/dbraw/zinc/94/43/96/395944396.db2.gz VZFCTOKIDHHYCF-DGCLKSJQSA-N 0 0 318.381 0.740 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246238181 395944809 /nfs/dbraw/zinc/94/48/09/395944809.db2.gz XEZVFULDRKAYBK-OIMNJJJWSA-N 0 0 313.419 0.885 10 0 DCAERN C[C@@H]1CN(Cc2cn3cccnc3n2)C[C@H]1N1CCOCC1 ZINC000246281355 395946277 /nfs/dbraw/zinc/94/62/77/395946277.db2.gz AJUDANLRIVVWKV-UKRRQHHQSA-N 0 0 301.394 0.882 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000246500035 395951338 /nfs/dbraw/zinc/95/13/38/395951338.db2.gz SCNPMLWHCZIPPX-MCIONIFRSA-N 0 0 318.439 0.843 10 0 DCAERN CCc1nnc2ccc(N3C[C@H](N4CCOCC4)[C@@H](C)C3)nn21 ZINC000246607403 395954068 /nfs/dbraw/zinc/95/40/68/395954068.db2.gz WJLIYDJYQLEYAJ-STQMWFEESA-N 0 0 316.409 0.844 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246741181 395956206 /nfs/dbraw/zinc/95/62/06/395956206.db2.gz QQLSXLLZXMUNJE-JTNHKYCSSA-N 0 0 324.402 0.701 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCC(=O)N(C)C2)CC1=O ZINC000246714900 395956396 /nfs/dbraw/zinc/95/63/96/395956396.db2.gz UGVVTSKTHWCLFR-AVGNSLFASA-N 0 0 309.410 0.761 10 0 DCAERN COCCN(C)S(=O)(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246848864 395959291 /nfs/dbraw/zinc/95/92/91/395959291.db2.gz KSPLZSOZBYTFBB-RBSFLKMASA-N 0 0 310.419 0.985 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000246877500 395960193 /nfs/dbraw/zinc/96/01/93/395960193.db2.gz LQZSOXYRVDVYQW-YUSALJHKSA-N 0 0 305.382 0.610 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246918835 395960861 /nfs/dbraw/zinc/96/08/61/395960861.db2.gz GPHQBOQQDVDKDJ-ZDUSSCGKSA-N 0 0 316.427 0.479 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCS1(=O)=O ZINC000246910287 395960898 /nfs/dbraw/zinc/96/08/98/395960898.db2.gz MKCSSOFCQXZTEL-WRWGMCAJSA-N 0 0 316.423 0.628 10 0 DCAERN CNN1CCN(CCc2ccnc3ccc(OC)nc23)CC1 ZINC000143800633 395961971 /nfs/dbraw/zinc/96/19/71/395961971.db2.gz LUSGGENIZHLVKM-UHFFFAOYSA-N 0 0 301.394 0.933 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246994977 395962823 /nfs/dbraw/zinc/96/28/23/395962823.db2.gz NNYFMVCQAGEFQB-QWHCGFSZSA-N 0 0 305.382 0.210 10 0 DCAERN C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000247022719 395964264 /nfs/dbraw/zinc/96/42/64/395964264.db2.gz SBZLJZTZSCZUQF-OLZOCXBDSA-N 0 0 308.426 0.923 10 0 DCAERN COCC(=O)O[C@@H](c1ncccc1S(N)(=O)=O)[C@H](C)F ZINC000146338059 395965187 /nfs/dbraw/zinc/96/51/87/395965187.db2.gz KYSNOAKSEGNQKQ-WRWORJQWSA-N 0 0 306.315 0.318 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCN1c1nccs1 ZINC000247062042 395965576 /nfs/dbraw/zinc/96/55/76/395965576.db2.gz UMLNLLGEZDWAQY-JQWIXIFHSA-N 0 0 320.418 0.991 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000247209879 395968725 /nfs/dbraw/zinc/96/87/25/395968725.db2.gz PRUNDFIYBGWCAG-VXGBXAGGSA-N 0 0 308.386 0.538 10 0 DCAERN CCC[C@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000247220302 395969403 /nfs/dbraw/zinc/96/94/03/395969403.db2.gz VWSWKBGFFFULGE-GJZGRUSLSA-N 0 0 319.405 0.830 10 0 DCAERN O=C(N[C@H]1CCC[C@@H]1O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000247325292 395971424 /nfs/dbraw/zinc/97/14/24/395971424.db2.gz INPDRVRQIZLTAK-AGIUHOORSA-N 0 0 305.382 0.658 10 0 DCAERN CCn1cc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000150894213 395974670 /nfs/dbraw/zinc/97/46/70/395974670.db2.gz GEXQYOMLHDGIBT-UHFFFAOYSA-N 0 0 300.384 0.944 10 0 DCAERN Cc1nnc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)s1 ZINC000150895893 395975020 /nfs/dbraw/zinc/97/50/20/395975020.db2.gz ZGYGHXYOSAZMEE-UHFFFAOYSA-N 0 0 304.397 0.887 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1n1ccnc1 ZINC000247576665 395976394 /nfs/dbraw/zinc/97/63/94/395976394.db2.gz LRBQRXNNDDUQCB-ILXRZTDVSA-N 0 0 321.425 0.806 10 0 DCAERN CSC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000151069876 395978021 /nfs/dbraw/zinc/97/80/21/395978021.db2.gz NVYZFCQURKPTLB-CQSZACIVSA-N 0 0 309.391 0.560 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)[C@@H](C)CO ZINC000151163602 395980388 /nfs/dbraw/zinc/98/03/88/395980388.db2.gz YMOJFLWURRFFSK-NWDGAFQWSA-N 0 0 308.378 0.948 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247974938 395980904 /nfs/dbraw/zinc/98/09/04/395980904.db2.gz KPRQVNGLUHTXDG-HEHGZKQESA-N 0 0 309.410 0.992 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151228756 395981797 /nfs/dbraw/zinc/98/17/97/395981797.db2.gz FKGYBNRXIKMOFV-SCRDCRAPSA-N 0 0 316.423 0.510 10 0 DCAERN C[C@H](CCCO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000248234874 395984233 /nfs/dbraw/zinc/98/42/33/395984233.db2.gz SEKLRELGMBBSMB-ZLDLUXBVSA-N 0 0 305.378 0.878 10 0 DCAERN COC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C1CC1 ZINC000151511798 395987396 /nfs/dbraw/zinc/98/73/96/395987396.db2.gz WXKASOYAUADKLH-AWEZNQCLSA-N 0 0 301.346 0.938 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 ZINC000151549814 395987933 /nfs/dbraw/zinc/98/79/33/395987933.db2.gz AXESEJCKKGWASM-CYBMUJFWSA-N 0 0 300.318 0.678 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000276306850 395989515 /nfs/dbraw/zinc/98/95/15/395989515.db2.gz LIUGRIPPMTVOQX-VIFPVBQESA-N 0 0 310.784 0.012 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)c2cc(C(N)=O)cn2C)cn1 ZINC000151717674 395991603 /nfs/dbraw/zinc/99/16/03/395991603.db2.gz IQQZWWVKLIKPIA-GFCCVEGCSA-N 0 0 301.350 0.835 10 0 DCAERN Cn1cc(CN2CCN(C(=O)c3ccoc3)CC2)ccc1=O ZINC000065285896 395992449 /nfs/dbraw/zinc/99/24/49/395992449.db2.gz DINMSCRTHYCXCK-UHFFFAOYSA-N 0 0 301.346 0.936 10 0 DCAERN CCC1(NC(=O)CNS(=O)(=O)c2cn(C)cn2)CCC1 ZINC000151790082 395992948 /nfs/dbraw/zinc/99/29/48/395992948.db2.gz JOTYFRATNBBCSN-UHFFFAOYSA-N 0 0 300.384 0.147 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1CCc2nnc(C)n2C1)C1CCCC1 ZINC000065606106 395995208 /nfs/dbraw/zinc/99/52/08/395995208.db2.gz DGTOJDNSJBLZNS-ZFWWWQNUSA-N 0 0 319.409 0.712 10 0 DCAERN CCN1C[C@@H](C(=O)Nc2cnn(-c3ncccn3)c2)CC1=O ZINC000151909881 395995631 /nfs/dbraw/zinc/99/56/31/395995631.db2.gz JPXYSZHDTIYSEU-JTQLQIEISA-N 0 0 300.322 0.469 10 0 DCAERN CC(=O)NCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000151906377 395995811 /nfs/dbraw/zinc/99/58/11/395995811.db2.gz XUDPGMCPVBKVAX-ZDUSSCGKSA-N 0 0 320.397 0.223 10 0 DCAERN CN(C)C(=O)CNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151966151 395997493 /nfs/dbraw/zinc/99/74/93/395997493.db2.gz WZPDZMHBIOTESY-GFCCVEGCSA-N 0 0 320.397 0.175 10 0 DCAERN CC[C@@H]1CN(CCN2C(=O)CNC2=O)CCN1CC(F)F ZINC000153431336 396024885 /nfs/dbraw/zinc/02/48/85/396024885.db2.gz BSUKBUHTOHKERP-SNVBAGLBSA-N 0 0 304.341 0.200 10 0 DCAERN CCN1C(=S)N=NC1CCn1c(=O)[nH]c2ccccc2c1=O ZINC000153997394 396027907 /nfs/dbraw/zinc/02/79/07/396027907.db2.gz USHAIQWRKQBOLA-UHFFFAOYSA-N 0 0 317.374 0.833 10 0 DCAERN CN(C)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154113533 396031383 /nfs/dbraw/zinc/03/13/83/396031383.db2.gz WYWSIYCEWQSFKM-HNNXBMFYSA-N 0 0 307.394 0.176 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154127456 396032219 /nfs/dbraw/zinc/03/22/19/396032219.db2.gz FQKYRFVJNJQLFH-OAHLLOKOSA-N 0 0 322.405 0.573 10 0 DCAERN Cc1cccc(OCC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000154124605 396032276 /nfs/dbraw/zinc/03/22/76/396032276.db2.gz CMQMEPXODBSLHZ-CQSZACIVSA-N 0 0 308.378 0.183 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CCC1=O ZINC000154260534 396035165 /nfs/dbraw/zinc/03/51/65/396035165.db2.gz WWNVCWKOTSJMHP-DGCLKSJQSA-N 0 0 322.340 0.272 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)N[C@@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000276903900 396035568 /nfs/dbraw/zinc/03/55/68/396035568.db2.gz OFZRZLBTWAUQDU-CHWSQXEVSA-N 0 0 321.381 0.217 10 0 DCAERN Cc1cccc(C(=O)N[C@@H]2CN(c3ccncn3)C[C@H]2CO)n1 ZINC000257193994 396036119 /nfs/dbraw/zinc/03/61/19/396036119.db2.gz SIHTUHQCNUVQOT-GXTWGEPZSA-N 0 0 313.361 0.407 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000067879581 396037893 /nfs/dbraw/zinc/03/78/93/396037893.db2.gz FUDIOKZAZXLHPQ-RKDXNWHRSA-N 0 0 303.384 0.735 10 0 DCAERN CN(C)[C@@H](CNC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000154486056 396038805 /nfs/dbraw/zinc/03/88/05/396038805.db2.gz ODBWRKCFQCGCCH-ZDUSSCGKSA-N 0 0 316.361 0.824 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000154899642 396044797 /nfs/dbraw/zinc/04/47/97/396044797.db2.gz KQEIFEAGFGGTBL-LLVKDONJSA-N 0 0 319.365 0.682 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000155213642 396048885 /nfs/dbraw/zinc/04/88/85/396048885.db2.gz STVWZCZHXCSHAR-LLVKDONJSA-N 0 0 321.381 0.359 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCOCC3(C)C)nc2n1 ZINC000068379806 396054394 /nfs/dbraw/zinc/05/43/94/396054394.db2.gz LMCWPYDNRUITHB-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)c1ccccc1C ZINC000155638191 396055741 /nfs/dbraw/zinc/05/57/41/396055741.db2.gz OPCPCZZMOLUPCO-INIZCTEOSA-N 0 0 308.378 0.629 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261697981 396057939 /nfs/dbraw/zinc/05/79/39/396057939.db2.gz LJPUVRDQWNSPEX-AWEZNQCLSA-N 0 0 313.423 0.783 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H](C)O1 ZINC000157994029 396064090 /nfs/dbraw/zinc/06/40/90/396064090.db2.gz PCMRGGUUMLVYCZ-MFKMUULPSA-N 0 0 317.345 0.894 10 0 DCAERN O=C(CN1CCCC1=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159042004 396065655 /nfs/dbraw/zinc/06/56/55/396065655.db2.gz ISBYWDGYXRQZJA-STQMWFEESA-N 0 0 322.361 0.553 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CC(=O)NC)[C@H]1Oc1ccccc1 ZINC000249121201 396002789 /nfs/dbraw/zinc/00/27/89/396002789.db2.gz HFFOZNRJUQASNR-WOSRLPQWSA-N 0 0 306.362 0.864 10 0 DCAERN O=C(CCCOc1cccc(F)c1)N[C@H]1CCC(=O)NC1=O ZINC000152187100 396002813 /nfs/dbraw/zinc/00/28/13/396002813.db2.gz ZDKFUPBRNDMDBA-LBPRGKRZSA-N 0 0 308.309 0.906 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](CN2CCOC[C@]23CCOC3)C1 ZINC000249392723 396007649 /nfs/dbraw/zinc/00/76/49/396007649.db2.gz BTYVOKLFKROPFT-UONOGXRCSA-N 0 0 318.439 0.149 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152492489 396010764 /nfs/dbraw/zinc/01/07/64/396010764.db2.gz ZSDDATDMPPQDGW-LLVKDONJSA-N 0 0 320.397 0.638 10 0 DCAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCO[C@@H](C(N)=O)C1 ZINC000250416912 396014378 /nfs/dbraw/zinc/01/43/78/396014378.db2.gz ASTJAHKQAOTNEE-ZYHUDNBSSA-N 0 0 302.334 0.984 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000276666251 396019726 /nfs/dbraw/zinc/01/97/26/396019726.db2.gz MXBOLBWMVXGTJF-UONOGXRCSA-N 0 0 319.409 0.537 10 0 DCAERN Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000153021325 396019946 /nfs/dbraw/zinc/01/99/46/396019946.db2.gz MHEYNHOLPGMXFF-WCQYABFASA-N 0 0 301.346 0.353 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1nc2ncccn2n1 ZINC000175727825 396141474 /nfs/dbraw/zinc/14/14/74/396141474.db2.gz DMRIFLDABNOSNO-SNVBAGLBSA-N 0 0 319.365 0.855 10 0 DCAERN CCn1c2ccc(C(=O)N[C@H]3CCCOC3)cc2[nH]c(=O)c1=O ZINC000170937198 396102435 /nfs/dbraw/zinc/10/24/35/396102435.db2.gz BPEPQRJIERAMJC-NSHDSACASA-N 0 0 317.345 0.619 10 0 DCAERN CC(C)Cn1ccnc1NC(=O)Cn1nc2ccccn2c1=O ZINC000171010122 396103031 /nfs/dbraw/zinc/10/30/31/396103031.db2.gz CIBZXPJCZNTIGH-UHFFFAOYSA-N 0 0 314.349 0.987 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCn2ccnc2)C1 ZINC000171002441 396103097 /nfs/dbraw/zinc/10/30/97/396103097.db2.gz DNBPIYSHGCAHFD-ZDUSSCGKSA-N 0 0 307.398 0.973 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2F)C1 ZINC000171094494 396106413 /nfs/dbraw/zinc/10/64/13/396106413.db2.gz BKXUCJOXEISLQQ-VIFPVBQESA-N 0 0 306.334 0.574 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000175764216 396142125 /nfs/dbraw/zinc/14/21/25/396142125.db2.gz PFJQCSGCEORRNY-LBPRGKRZSA-N 0 0 312.391 0.908 10 0 DCAERN CCc1noc2ncc(C(=O)NC[C@H]3CN(C)CCO3)cc12 ZINC000171286261 396112708 /nfs/dbraw/zinc/11/27/08/396112708.db2.gz FNADDMYSQFMESR-NSHDSACASA-N 0 0 304.350 0.846 10 0 DCAERN COC(C)(C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000171600475 396119496 /nfs/dbraw/zinc/11/94/96/396119496.db2.gz ITUODNDYPKKZGK-UHFFFAOYSA-N 0 0 306.366 0.254 10 0 DCAERN CN1Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCOC3)cc2C1 ZINC000171623821 396120235 /nfs/dbraw/zinc/12/02/35/396120235.db2.gz BIOOXERDTXJZSY-CQSZACIVSA-N 0 0 303.362 0.866 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N[C@H](CO)Cc2ccccc2)C1 ZINC000171706380 396122549 /nfs/dbraw/zinc/12/25/49/396122549.db2.gz PZMQUPKJWXPKME-GJZGRUSLSA-N 0 0 307.394 0.220 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCCOC1 ZINC000171690549 396122610 /nfs/dbraw/zinc/12/26/10/396122610.db2.gz SAEIOXDBHSOMJY-NSHDSACASA-N 0 0 302.334 0.477 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 ZINC000278414936 396123257 /nfs/dbraw/zinc/12/32/57/396123257.db2.gz WIOSPHFKVKCWSV-CQSZACIVSA-N 0 0 303.362 0.972 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3CO)C2)n(C)n1 ZINC000278405820 396123302 /nfs/dbraw/zinc/12/33/02/396123302.db2.gz PCJVDJXTGJYMKO-UONOGXRCSA-N 0 0 321.425 0.864 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)[C@H]2NCCO[C@@H]2C)c1 ZINC000262331945 396125588 /nfs/dbraw/zinc/12/55/88/396125588.db2.gz SHTWBRGUACSNCO-RISCZKNCSA-N 0 0 305.378 0.082 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1nccn1CC(F)(F)F ZINC000262340435 396126832 /nfs/dbraw/zinc/12/68/32/396126832.db2.gz SYWMEQOQCYEUET-SCZZXKLOSA-N 0 0 306.288 0.439 10 0 DCAERN CCOCCN1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@@H]1C ZINC000172219585 396129702 /nfs/dbraw/zinc/12/97/02/396129702.db2.gz KLEPZVBEUCWOSZ-NSHDSACASA-N 0 0 322.409 0.570 10 0 DCAERN Cn1nccc1C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000172379551 396131130 /nfs/dbraw/zinc/13/11/30/396131130.db2.gz FIZIOIWVGHMUIM-UHFFFAOYSA-N 0 0 314.411 0.065 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172766565 396132984 /nfs/dbraw/zinc/13/29/84/396132984.db2.gz ARIYUMQUEOEFTG-FPTDNZKUSA-N 0 0 322.430 0.971 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)CCC1=O ZINC000162900213 396085124 /nfs/dbraw/zinc/08/51/24/396085124.db2.gz UEOAHIOJTVBNJF-NWDGAFQWSA-N 0 0 305.382 0.920 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCCSCC1 ZINC000280554105 396208118 /nfs/dbraw/zinc/20/81/18/396208118.db2.gz AYVQVIHPAVGWTE-OAHLLOKOSA-N 0 0 310.419 0.873 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000175899586 396145071 /nfs/dbraw/zinc/14/50/71/396145071.db2.gz JPXJZHXCGPYTTO-ZDUSSCGKSA-N 0 0 318.377 0.021 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@]2(O)CCO[C@@H]2C)cc1 ZINC000279053060 396149751 /nfs/dbraw/zinc/14/97/51/396149751.db2.gz AZPJIOIQUXLMQG-BZNIZROVSA-N 0 0 306.362 0.939 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(-n2cnnn2)cc1 ZINC000176133619 396150422 /nfs/dbraw/zinc/15/04/22/396150422.db2.gz CDJKTEPBHPJVJC-GFCCVEGCSA-N 0 0 310.321 0.519 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ncsc2c1 ZINC000176438769 396155955 /nfs/dbraw/zinc/15/59/55/396155955.db2.gz PNLUWSQGTGOHIV-LBPRGKRZSA-N 0 0 321.402 0.719 10 0 DCAERN Cn1cc(NC(=O)NCCCNC(=O)C2CCC2)ccc1=O ZINC000176502631 396156323 /nfs/dbraw/zinc/15/63/23/396156323.db2.gz RCVSUIHBRWNLQE-UHFFFAOYSA-N 0 0 306.366 0.813 10 0 DCAERN CCc1nnc2ccc(N3C[C@H](C)[C@H](N4CCOCC4)C3)nn21 ZINC000176705337 396158964 /nfs/dbraw/zinc/15/89/64/396158964.db2.gz WJLIYDJYQLEYAJ-QWHCGFSZSA-N 0 0 316.409 0.844 10 0 DCAERN O=C(NCC[C@@H]1CCC[NH2+]C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000262604156 396160534 /nfs/dbraw/zinc/16/05/34/396160534.db2.gz SAEFKUXTCFMOLY-VIFPVBQESA-N 0 0 317.349 0.556 10 0 DCAERN O=C(Cc1cncnc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000279271125 396161983 /nfs/dbraw/zinc/16/19/83/396161983.db2.gz VJVGWHBMDRIHCH-LBPRGKRZSA-N 0 0 306.391 0.543 10 0 DCAERN COC(=O)CCOc1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000262616398 396162854 /nfs/dbraw/zinc/16/28/54/396162854.db2.gz LXQMXRDVHLIWOY-ZDUSSCGKSA-N 0 0 308.334 0.555 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000074745013 396171413 /nfs/dbraw/zinc/17/14/13/396171413.db2.gz HMKHDVHOJNTXSH-LLVKDONJSA-N 0 0 305.382 0.579 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000177437256 396175970 /nfs/dbraw/zinc/17/59/70/396175970.db2.gz ZRVDMSBMGXFSNK-NEPJUHHUSA-N 0 0 319.361 0.640 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177567665 396178680 /nfs/dbraw/zinc/17/86/80/396178680.db2.gz WXBIAYLUDSTXQL-IINYFYTJSA-N 0 0 307.354 0.708 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000177789852 396183869 /nfs/dbraw/zinc/18/38/69/396183869.db2.gz BJHHQJOLHXPHGM-RYUDHWBXSA-N 0 0 320.393 0.753 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000177801004 396183900 /nfs/dbraw/zinc/18/39/00/396183900.db2.gz NNARCWMGTMNMEN-RYUDHWBXSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cccn1 ZINC000177793210 396183971 /nfs/dbraw/zinc/18/39/71/396183971.db2.gz AGSJBDUYIWXSEA-NWDGAFQWSA-N 0 0 316.361 0.944 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000177980113 396186249 /nfs/dbraw/zinc/18/62/49/396186249.db2.gz ULMHPSNZBALGAG-LBPRGKRZSA-N 0 0 316.365 0.555 10 0 DCAERN CC1(C)COCCN1CCNC(=O)CNC(=O)c1cccnc1 ZINC000178030664 396187399 /nfs/dbraw/zinc/18/73/99/396187399.db2.gz HGVKLLRDVYGSFF-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000075941288 396190186 /nfs/dbraw/zinc/19/01/86/396190186.db2.gz VZJPVSBYGBNOSH-SNVBAGLBSA-N 0 0 322.390 0.867 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000076034409 396191648 /nfs/dbraw/zinc/19/16/48/396191648.db2.gz OTZKUIKHKBKOLG-GMSGAONNSA-N 0 0 303.322 0.162 10 0 DCAERN COc1cccc(OCCN2CCN([C@H]3CCNC3=O)CC2)c1 ZINC000178211549 396191947 /nfs/dbraw/zinc/19/19/47/396191947.db2.gz JZCZOPKNSHOKCF-INIZCTEOSA-N 0 0 319.405 0.580 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000178303347 396194041 /nfs/dbraw/zinc/19/40/41/396194041.db2.gz XKFMDYLMERKFOK-LBPRGKRZSA-N 0 0 313.427 0.622 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)[nH]1 ZINC000262960296 396194485 /nfs/dbraw/zinc/19/44/85/396194485.db2.gz KRVBEFZGXZXGRE-RKDXNWHRSA-N 0 0 301.297 0.010 10 0 DCAERN CC1(CNC(=O)Cn2cnc3ccccc3c2=O)OCCO1 ZINC000178508250 396197530 /nfs/dbraw/zinc/19/75/30/396197530.db2.gz IFQSXEOEPMSNMP-UHFFFAOYSA-N 0 0 303.318 0.276 10 0 DCAERN CCCCCOCC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263014368 396198067 /nfs/dbraw/zinc/19/80/67/396198067.db2.gz ZBDIOWQMLYBAHP-CYBMUJFWSA-N 0 0 316.398 0.437 10 0 DCAERN O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(F)(F)CN1 ZINC000263008164 396198082 /nfs/dbraw/zinc/19/80/82/396198082.db2.gz PKUIILOAFLFAMY-NSHDSACASA-N 0 0 307.304 0.881 10 0 DCAERN CCCCCN(CCO)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178579260 396199826 /nfs/dbraw/zinc/19/98/26/396199826.db2.gz YHCQBRUBOHEKNY-UHFFFAOYSA-N 0 0 314.407 0.959 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(CNC(=O)C2CCCCC2)n1 ZINC000263161245 396203495 /nfs/dbraw/zinc/20/34/95/396203495.db2.gz DUMVWEHWFGNDOI-GFCCVEGCSA-N 0 0 307.398 0.842 10 0 DCAERN COCCN(C)S(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000181513258 396239960 /nfs/dbraw/zinc/23/99/60/396239960.db2.gz OFEUSNXVFBVVNA-UHFFFAOYSA-N 0 0 318.443 0.382 10 0 DCAERN Cn1ncc(N2CC[C@@H](CCO)C2)c(Br)c1=O ZINC000078366454 396243409 /nfs/dbraw/zinc/24/34/09/396243409.db2.gz ZLDDIXZKWSQTHB-QMMMGPOBSA-N 0 0 302.172 0.752 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCCS2)CC1 ZINC000181970273 396244823 /nfs/dbraw/zinc/24/48/23/396244823.db2.gz UIHOAWFOSMJWJS-CHWSQXEVSA-N 0 0 301.456 0.980 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)CCN1C(=O)CCC1=O ZINC000182223127 396248042 /nfs/dbraw/zinc/24/80/42/396248042.db2.gz ABLCOISWFZWMIA-UHFFFAOYSA-N 0 0 320.393 0.625 10 0 DCAERN C[C@@H]1Cc2ccccc2N1CCNC(=O)CN1CC(=O)NC1=O ZINC000078646490 396250835 /nfs/dbraw/zinc/25/08/35/396250835.db2.gz AIAKGLWQQKOQSI-LLVKDONJSA-N 0 0 316.361 0.106 10 0 DCAERN O=C(NCCCOC[C@@H]1CCOC1)NCCCn1ccnn1 ZINC000182747038 396253232 /nfs/dbraw/zinc/25/32/32/396253232.db2.gz SIOQCVSVKJXVPV-ZDUSSCGKSA-N 0 0 311.386 0.411 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1C ZINC000282005002 396255303 /nfs/dbraw/zinc/25/53/03/396255303.db2.gz MIKVCJSXIHIRPN-UHFFFAOYSA-N 0 0 312.391 0.903 10 0 DCAERN CC(C)(C)C(=O)Cn1cc(C(=O)NCCCn2ccnn2)nn1 ZINC000182926815 396256672 /nfs/dbraw/zinc/25/66/72/396256672.db2.gz NNDFHBVDBCQUDV-UHFFFAOYSA-N 0 0 319.369 0.305 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)NCCCn1ccnn1 ZINC000182979150 396258378 /nfs/dbraw/zinc/25/83/78/396258378.db2.gz PLQGBTYAEAJZPI-UHFFFAOYSA-N 0 0 308.363 0.502 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000182986943 396258487 /nfs/dbraw/zinc/25/84/87/396258487.db2.gz ALTVVCZHCXMKAE-UHNVWZDZSA-N 0 0 307.232 0.209 10 0 DCAERN Cc1cc(C)c(CNC(=O)N2CC(=O)N(C)[C@H](C)C2)c(=O)[nH]1 ZINC000282088993 396262186 /nfs/dbraw/zinc/26/21/86/396262186.db2.gz CXOASFLGFYBUQC-LLVKDONJSA-N 0 0 306.366 0.776 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)c1ccc2nnn(C)c2c1 ZINC000183265354 396265557 /nfs/dbraw/zinc/26/55/57/396265557.db2.gz FLLHCZRSVHYCPS-GFCCVEGCSA-N 0 0 306.366 0.732 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2CC(=O)N(C)[C@@H](C)C2)c(=O)[nH]1 ZINC000282193026 396271196 /nfs/dbraw/zinc/27/11/96/396271196.db2.gz MNOVZKKQKVGWIU-VIFPVBQESA-N 0 0 306.366 0.421 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOC(C)C ZINC000183745937 396273935 /nfs/dbraw/zinc/27/39/35/396273935.db2.gz WZUQXBFTXKBHJB-LLVKDONJSA-N 0 0 311.386 0.984 10 0 DCAERN CNC(=O)CNC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000183737320 396274054 /nfs/dbraw/zinc/27/40/54/396274054.db2.gz KLLRHAUFYSYQHL-UHFFFAOYSA-N 0 0 301.350 0.916 10 0 DCAERN O=C(CNC(=O)NC[C@]1(O)CCc2ccccc21)NCC1CC1 ZINC000183785311 396274897 /nfs/dbraw/zinc/27/48/97/396274897.db2.gz LBCQMLFNQXEFBZ-QGZVFWFLSA-N 0 0 317.389 0.646 10 0 DCAERN O=C(CNC(=O)NC[C@@H](CO)c1ccccc1)NCC1CC1 ZINC000183789765 396275450 /nfs/dbraw/zinc/27/54/50/396275450.db2.gz GMFLFLYIXGDGQQ-AWEZNQCLSA-N 0 0 305.378 0.588 10 0 DCAERN CCOCCNC(=O)CN1CCCN(c2ccccn2)CC1 ZINC000183873965 396276647 /nfs/dbraw/zinc/27/66/47/396276647.db2.gz VXIFILLPZOBJDH-UHFFFAOYSA-N 0 0 306.410 0.746 10 0 DCAERN COc1ccnc(N2CCN(C(=O)N[C@@H]3CCCOC3)CC2)n1 ZINC000264436544 396279444 /nfs/dbraw/zinc/27/94/44/396279444.db2.gz YJPJRLXHXBEWHL-GFCCVEGCSA-N 0 0 321.381 0.496 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000080421714 396280014 /nfs/dbraw/zinc/28/00/14/396280014.db2.gz BPQILQYFIVFDAK-GHMZBOCLSA-N 0 0 307.350 0.525 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NC[C@]3(O)CCOC3)CC2=O)cc1 ZINC000178944069 396215954 /nfs/dbraw/zinc/21/59/54/396215954.db2.gz DNPOMEXVIHABBB-CXAGYDPISA-N 0 0 318.373 0.616 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C[C@H](O)C(C)C)C2=O)n(C)n1 ZINC000178967404 396216824 /nfs/dbraw/zinc/21/68/24/396216824.db2.gz GWBRZZFUUICCPY-OLZOCXBDSA-N 0 0 322.409 0.747 10 0 DCAERN O=C(CCNC(=O)NCCCc1ccccn1)N1CCOCC1 ZINC000179165577 396222737 /nfs/dbraw/zinc/22/27/37/396222737.db2.gz KKTDLAZPIZNDSV-UHFFFAOYSA-N 0 0 320.393 0.562 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(C(N)=O)cn1C ZINC000180377517 396233151 /nfs/dbraw/zinc/23/31/51/396233151.db2.gz AWYKDKQFKPNSGA-UHFFFAOYSA-N 0 0 317.393 0.837 10 0 DCAERN COC(=O)C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCO1 ZINC000185019343 396314431 /nfs/dbraw/zinc/31/44/31/396314431.db2.gz YJAXGVDLFPTIJC-GFCCVEGCSA-N 0 0 320.349 0.839 10 0 DCAERN Nc1nccnc1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185032165 396315379 /nfs/dbraw/zinc/31/53/79/396315379.db2.gz JEQNNADYGOPTPQ-NSHDSACASA-N 0 0 312.333 0.379 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185116777 396317477 /nfs/dbraw/zinc/31/74/77/396317477.db2.gz FGOSYDSRFXKSKO-IDGQHGNYSA-N 0 0 316.467 0.855 10 0 DCAERN CC(C)CCC(=O)NCC(=O)NCCc1nnc2n1CCCC2 ZINC000184126133 396286423 /nfs/dbraw/zinc/28/64/23/396286423.db2.gz BULCEBSWSJDWHQ-UHFFFAOYSA-N 0 0 321.425 0.826 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000184341093 396291735 /nfs/dbraw/zinc/29/17/35/396291735.db2.gz UEBVBSLVCLJQCU-AAEUAGOBSA-N 0 0 309.391 0.974 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2cnn3ccc(C)nc23)CC1 ZINC000264576382 396292138 /nfs/dbraw/zinc/29/21/38/396292138.db2.gz GZXILWSGXISICL-UHFFFAOYSA-N 0 0 316.365 0.525 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)NCCOc1ccccc1 ZINC000185192252 396321135 /nfs/dbraw/zinc/32/11/35/396321135.db2.gz FBWOOTAENVAIGW-QGZVFWFLSA-N 0 0 320.389 0.673 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000184409224 396294046 /nfs/dbraw/zinc/29/40/46/396294046.db2.gz WJZDFQMIKDCUOS-JQWIXIFHSA-N 0 0 304.412 0.532 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCO2)[nH]1 ZINC000184456946 396296373 /nfs/dbraw/zinc/29/63/73/396296373.db2.gz JNSKHIYEAVFEJZ-LLVKDONJSA-N 0 0 302.338 0.927 10 0 DCAERN O=c1[nH]c(CN2C[C@H](O)C[C@@H]2CO)nc2ccc(Cl)cc12 ZINC000184731357 396303992 /nfs/dbraw/zinc/30/39/92/396303992.db2.gz DHUJOICFVVSYJL-NXEZZACHSA-N 0 0 309.753 0.504 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000184741520 396304890 /nfs/dbraw/zinc/30/48/90/396304890.db2.gz IOZUABVRVZGRKD-GFCCVEGCSA-N 0 0 301.412 0.966 10 0 DCAERN CCC1(CC)CN(CC(=O)NC[C@@H]2CCCO2)CC[S@]1=O ZINC000185232103 396322442 /nfs/dbraw/zinc/32/24/42/396322442.db2.gz CMIVFCJPNKQICQ-YEJXKQKISA-N 0 0 316.467 0.905 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000185528726 396329734 /nfs/dbraw/zinc/32/97/34/396329734.db2.gz BURKAUJZCLZQAH-ZDUSSCGKSA-N 0 0 306.362 0.579 10 0 DCAERN CCOC(=O)Cc1nnc(NC(=O)CCc2ccnn2C)s1 ZINC000185526696 396330126 /nfs/dbraw/zinc/33/01/26/396330126.db2.gz YQOWOGUFIFSJRZ-UHFFFAOYSA-N 0 0 323.378 0.949 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCc2ccc(F)cc2C)C1 ZINC000185625384 396331740 /nfs/dbraw/zinc/33/17/40/396331740.db2.gz HGJCGMWHENGKAQ-UHFFFAOYSA-N 0 0 323.368 0.833 10 0 DCAERN CCOCCONC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000185733745 396333961 /nfs/dbraw/zinc/33/39/61/396333961.db2.gz LDMYQPYPHGNCBR-LBPRGKRZSA-N 0 0 311.386 0.656 10 0 DCAERN CN1CCN(c2cc(N3CCN(C4CC4)CC3)ncn2)CC1=O ZINC000185951733 396337722 /nfs/dbraw/zinc/33/77/22/396337722.db2.gz DTIRTOILPAGTLE-UHFFFAOYSA-N 0 0 316.409 0.039 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CCO[C@@]2(CCOC2)C1 ZINC000186042554 396339923 /nfs/dbraw/zinc/33/99/23/396339923.db2.gz JNJKEMBAABVOOL-HNNXBMFYSA-N 0 0 308.334 0.417 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000185773480 396334716 /nfs/dbraw/zinc/33/47/16/396334716.db2.gz XGFBCPGLHQASDP-MFKMUULPSA-N 0 0 316.361 0.675 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186187551 396344081 /nfs/dbraw/zinc/34/40/81/396344081.db2.gz AQYBBCLQJVQZKQ-UHFFFAOYSA-N 0 0 304.412 0.342 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000186197688 396344438 /nfs/dbraw/zinc/34/44/38/396344438.db2.gz MPQLXXNHLIRIRT-LBPRGKRZSA-N 0 0 323.397 0.820 10 0 DCAERN C[C@H](O)CCN(C)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186185584 396343687 /nfs/dbraw/zinc/34/36/87/396343687.db2.gz QMCLOEJPXOPQPZ-NSHDSACASA-N 0 0 323.397 0.951 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000186192119 396343912 /nfs/dbraw/zinc/34/39/12/396343912.db2.gz RXBIDTSJVRKOMK-SECBINFHSA-N 0 0 323.299 0.833 10 0 DCAERN C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCn1ccnn1 ZINC000186635788 396354107 /nfs/dbraw/zinc/35/41/07/396354107.db2.gz NKBWCGRWEZPRDW-CYBMUJFWSA-N 0 0 324.429 0.155 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000187803853 396374332 /nfs/dbraw/zinc/37/43/32/396374332.db2.gz DTLVFMAJNXFBFY-JTQLQIEISA-N 0 0 310.375 0.684 10 0 DCAERN CN(CCCNC(=O)N1CCCN(C)C(=O)C1)CC(F)(F)F ZINC000187837226 396374608 /nfs/dbraw/zinc/37/46/08/396374608.db2.gz BMZVWWHZHHETGZ-UHFFFAOYSA-N 0 0 324.347 0.744 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187157450 396364599 /nfs/dbraw/zinc/36/45/99/396364599.db2.gz MMMICLXQHSWWRS-UHFFFAOYSA-N 0 0 320.271 0.350 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCn3ccnc3)CC2)n[nH]1 ZINC000187825505 396374904 /nfs/dbraw/zinc/37/49/04/396374904.db2.gz ZMRWWLJXJPCKNQ-UHFFFAOYSA-N 0 0 303.370 0.446 10 0 DCAERN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@H]1CCNC(=O)C1 ZINC000187305465 396367447 /nfs/dbraw/zinc/36/74/47/396367447.db2.gz HPTCLDMRWOXXBO-MKQDKFQKSA-N 0 0 317.389 0.854 10 0 DCAERN O=C(NC1CN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)C1)C1CC1 ZINC000187586512 396371696 /nfs/dbraw/zinc/37/16/96/396371696.db2.gz OIBIVHCMQSXCPY-MGPQQGTHSA-N 0 0 307.394 0.864 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1)C1CC1 ZINC000187607134 396371724 /nfs/dbraw/zinc/37/17/24/396371724.db2.gz ZIHWVSJZLJQFDG-NSHDSACASA-N 0 0 303.366 0.187 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3c(F)ccc(O)c3F)CC[C@@H]21 ZINC000285181520 396348588 /nfs/dbraw/zinc/34/85/88/396348588.db2.gz ZODNMKNKYRLORT-BDAKNGLRSA-N 0 0 311.288 0.909 10 0 DCAERN CC(C)C[C@H](CO)N(C)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000186446173 396350203 /nfs/dbraw/zinc/35/02/03/396350203.db2.gz ZJGZBEXZVPRYFK-GFCCVEGCSA-N 0 0 314.407 0.813 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)no1 ZINC000266316305 396351502 /nfs/dbraw/zinc/35/15/02/396351502.db2.gz QLIAVARAXAGGHG-VIFPVBQESA-N 0 0 314.285 0.812 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)Cc2cccc(F)c2)CCC1=O ZINC000186573801 396352523 /nfs/dbraw/zinc/35/25/23/396352523.db2.gz HISKVBHQQVRWSI-NSHDSACASA-N 0 0 306.337 0.922 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC000286208163 396381096 /nfs/dbraw/zinc/38/10/96/396381096.db2.gz BYBZSMZLXIZBJU-ZIAGYGMSSA-N 0 0 303.362 0.331 10 0 DCAERN Cc1csc([C@H]2COCCN2C(=O)c2ccc(=O)n(C)n2)n1 ZINC000188622099 396383545 /nfs/dbraw/zinc/38/35/45/396383545.db2.gz AWFOFVSEBILZRZ-LLVKDONJSA-N 0 0 320.374 0.759 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(c3cccs3)C(=O)C2)C1 ZINC000188668264 396384278 /nfs/dbraw/zinc/38/42/78/396384278.db2.gz QJEYFJJEVCVUAJ-UHFFFAOYSA-N 0 0 307.375 0.402 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)c1c[nH]c(=S)[nH]1 ZINC000193059711 396443171 /nfs/dbraw/zinc/44/31/71/396443171.db2.gz FYXJDDIRKMEHIO-UHFFFAOYSA-N 0 0 301.335 0.604 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CCCNC(=O)[C@@H]2C)CC1=O ZINC000188907216 396388373 /nfs/dbraw/zinc/38/83/73/396388373.db2.gz MQVKBKRKNYZZPF-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN CSCc1noc(CCC(=O)N2CCCNC(=O)[C@H]2C)n1 ZINC000188931260 396388813 /nfs/dbraw/zinc/38/88/13/396388813.db2.gz GVBCVBOHWNRSHV-SECBINFHSA-N 0 0 312.395 0.602 10 0 DCAERN COCCN1CCCN(C(=O)c2cnn(C(C)(C)C)c2)CC1=O ZINC000189055682 396390451 /nfs/dbraw/zinc/39/04/51/396390451.db2.gz RYOMEEHJKJVUGT-UHFFFAOYSA-N 0 0 322.409 0.959 10 0 DCAERN CNC(=O)CCCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000189158213 396391207 /nfs/dbraw/zinc/39/12/07/396391207.db2.gz FTPZLUAOMAZKGA-UHFFFAOYSA-N 0 0 309.391 0.840 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000189218504 396392316 /nfs/dbraw/zinc/39/23/16/396392316.db2.gz IDDJNDKUKKZCPW-CYBMUJFWSA-N 0 0 317.411 0.643 10 0 DCAERN C[C@H](O)CN(C(=O)Cn1ccc(=O)c2ccccc21)[C@@H](C)CO ZINC000189293800 396392941 /nfs/dbraw/zinc/39/29/41/396392941.db2.gz ZVUOJPGLMUNYNM-STQMWFEESA-N 0 0 318.373 0.592 10 0 DCAERN Cc1nn(C)cc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000189707461 396397830 /nfs/dbraw/zinc/39/78/30/396397830.db2.gz UHHYOCNWYXURKU-BXUZGUMPSA-N 0 0 307.398 0.913 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189787009 396399453 /nfs/dbraw/zinc/39/94/53/396399453.db2.gz BNMIOSKYORIAER-CYBMUJFWSA-N 0 0 319.409 0.625 10 0 DCAERN O=C(NCc1nnc2ccccn21)N1CCC[C@@]12CCOC2=O ZINC000189989205 396401721 /nfs/dbraw/zinc/40/17/21/396401721.db2.gz NUKDADZMBRXPMY-HNNXBMFYSA-N 0 0 315.333 0.720 10 0 DCAERN CCN1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1=O ZINC000190032682 396402094 /nfs/dbraw/zinc/40/20/94/396402094.db2.gz LMQPUJJVCLWWPS-GFCCVEGCSA-N 0 0 303.366 0.492 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)NCCOCC(F)F)CCO2)[nH]1 ZINC000190298144 396404172 /nfs/dbraw/zinc/40/41/72/396404172.db2.gz RRZFCPMBPCOIGX-VIFPVBQESA-N 0 0 319.312 0.478 10 0 DCAERN C[C@H]1CN(C(=O)NCCOCC(F)F)C[C@H]1N1CCOCC1 ZINC000190298330 396404310 /nfs/dbraw/zinc/40/43/10/396404310.db2.gz KLVLNVDZVMJRMK-NWDGAFQWSA-N 0 0 321.368 0.630 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000190539161 396407631 /nfs/dbraw/zinc/40/76/31/396407631.db2.gz WBBATTIGNIPMLC-ZDUSSCGKSA-N 0 0 322.453 0.612 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000190539144 396407647 /nfs/dbraw/zinc/40/76/47/396407647.db2.gz WBBATTIGNIPMLC-CYBMUJFWSA-N 0 0 322.453 0.612 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000190626869 396409009 /nfs/dbraw/zinc/40/90/09/396409009.db2.gz GRIFOCVJGQEMIT-UHFFFAOYSA-N 0 0 314.345 0.464 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190651670 396409546 /nfs/dbraw/zinc/40/95/46/396409546.db2.gz JZSOEQPNEOSVNG-UHFFFAOYSA-N 0 0 322.413 0.782 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190674840 396409686 /nfs/dbraw/zinc/40/96/86/396409686.db2.gz OIFIIVUKXXOASR-SECBINFHSA-N 0 0 320.349 0.536 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000190682749 396410453 /nfs/dbraw/zinc/41/04/53/396410453.db2.gz QNWLVNKAOJIIAC-NWDGAFQWSA-N 0 0 312.414 0.016 10 0 DCAERN COCCN1CCCN(CC(=O)NC(C2CC2)C2CC2)CC1=O ZINC000190786333 396410892 /nfs/dbraw/zinc/41/08/92/396410892.db2.gz CZHBXJGYHBNYTH-UHFFFAOYSA-N 0 0 323.437 0.472 10 0 DCAERN Cc1nc(CNC(=O)Nc2ccc(N3CCOCC3)cn2)no1 ZINC000190868984 396412376 /nfs/dbraw/zinc/41/23/76/396412376.db2.gz ZWHYHXJOXHEMSK-UHFFFAOYSA-N 0 0 318.337 0.931 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1=O ZINC000191042754 396414595 /nfs/dbraw/zinc/41/45/95/396414595.db2.gz MTSQIUADBQCGHX-UHFFFAOYSA-N 0 0 314.345 0.797 10 0 DCAERN CCn1nccc1N1CCC[C@H](NC(=O)c2noc(C)n2)C1=O ZINC000191230578 396417644 /nfs/dbraw/zinc/41/76/44/396417644.db2.gz CZPGUIRTUFOPHD-JTQLQIEISA-N 0 0 318.337 0.520 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@H]1C ZINC000191312759 396418284 /nfs/dbraw/zinc/41/82/84/396418284.db2.gz GDVFPBFMSZOHGA-PWSUYJOCSA-N 0 0 307.350 0.207 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCN1CCOCC1(C)C ZINC000191413373 396418644 /nfs/dbraw/zinc/41/86/44/396418644.db2.gz VDXYULSTCZUFLD-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN COCCN1CCCN(S(=O)(=O)[C@@H](C)CC(C)C)CC1=O ZINC000191398248 396418701 /nfs/dbraw/zinc/41/87/01/396418701.db2.gz FKLBXWLJLZWERZ-ZDUSSCGKSA-N 0 0 320.455 0.932 10 0 DCAERN COCCN1CCCN(S(=O)(=O)[C@H](C)CC(C)C)CC1=O ZINC000191398233 396419101 /nfs/dbraw/zinc/41/91/01/396419101.db2.gz FKLBXWLJLZWERZ-CYBMUJFWSA-N 0 0 320.455 0.932 10 0 DCAERN C[C@H]1CN(C(=O)NCCOCC(F)F)CCS1(=O)=O ZINC000191587822 396421917 /nfs/dbraw/zinc/42/19/17/396421917.db2.gz HRMPGXQDBZUDCQ-QMMMGPOBSA-N 0 0 300.327 0.097 10 0 DCAERN CN1CCCN(C(=O)Nc2cc(C(N)=O)ccc2F)CC1=O ZINC000191881927 396426578 /nfs/dbraw/zinc/42/65/78/396426578.db2.gz MTPLHBBSGBOIHJ-UHFFFAOYSA-N 0 0 308.313 0.621 10 0 DCAERN C[C@@H](NC(=O)N1CCCN(C)C(=O)C1)c1nnc2ccccn21 ZINC000191928832 396427265 /nfs/dbraw/zinc/42/72/65/396427265.db2.gz CTJAQAZMYAQTLI-LLVKDONJSA-N 0 0 316.365 0.664 10 0 DCAERN O=S(=O)([N-]CC(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000192016110 396428282 /nfs/dbraw/zinc/42/82/82/396428282.db2.gz UVUFOXRDRQQZGL-UHFFFAOYSA-N 0 0 315.361 0.943 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@@H]1N1CCOCC1 ZINC000192804458 396438113 /nfs/dbraw/zinc/43/81/13/396438113.db2.gz GJKRTUJTDGJNSX-PWSUYJOCSA-N 0 0 310.785 0.923 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(C)cc1C ZINC000192916896 396440269 /nfs/dbraw/zinc/44/02/69/396440269.db2.gz WWPHXPQWLXNKDE-HZPDHXFCSA-N 0 0 304.390 0.944 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NC[C@H](C)O ZINC000187966060 396377250 /nfs/dbraw/zinc/37/72/50/396377250.db2.gz VBTJOFJRTPTHCR-NSHDSACASA-N 0 0 302.334 0.616 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188084164 396379130 /nfs/dbraw/zinc/37/91/30/396379130.db2.gz JWPZIWHOXOMNDL-LBPRGKRZSA-N 0 0 317.393 0.462 10 0 DCAERN CN1CCCN(C(=O)c2ccccc2N2CCOCC2)CC1=O ZINC000188159260 396379888 /nfs/dbraw/zinc/37/98/88/396379888.db2.gz JZRNBQIIRAUTOB-UHFFFAOYSA-N 0 0 317.389 0.828 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000286205025 396380546 /nfs/dbraw/zinc/38/05/46/396380546.db2.gz YBUUHMFQAFWPIL-GFCCVEGCSA-N 0 0 318.377 0.864 10 0 DCAERN CC[C@@H](CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000188246944 396380551 /nfs/dbraw/zinc/38/05/51/396380551.db2.gz MXNASHRARMCRIY-INIZCTEOSA-N 0 0 305.422 0.691 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](COC(C)C)C1 ZINC000372174566 396495100 /nfs/dbraw/zinc/49/51/00/396495100.db2.gz ZEPOFMDGLXAIAY-OLZOCXBDSA-N 0 0 316.423 0.560 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000580846123 396505458 /nfs/dbraw/zinc/50/54/58/396505458.db2.gz UIAPKBUIQQOXBZ-SECBINFHSA-N 0 0 320.349 0.799 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000193253572 396447669 /nfs/dbraw/zinc/44/76/69/396447669.db2.gz BZZRGNSJWFDGII-UHFFFAOYSA-N 0 0 324.406 0.800 10 0 DCAERN NC(=O)[C@H]1CC[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)O1 ZINC000193531854 396453099 /nfs/dbraw/zinc/45/30/99/396453099.db2.gz RXPVADXSPUGUIK-CAHLUQPWSA-N 0 0 323.296 0.925 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cncc(Cl)c2)CCS1(=O)=O ZINC000269926980 396455243 /nfs/dbraw/zinc/45/52/43/396455243.db2.gz CFAFJKCSFAUAAC-QMMMGPOBSA-N 0 0 324.811 0.543 10 0 DCAERN c1nc(N2CCCCC2)cc(N2CCN3CCOC[C@H]3C2)n1 ZINC000371807399 396477268 /nfs/dbraw/zinc/47/72/68/396477268.db2.gz AOSKULHNEXUIFF-CQSZACIVSA-N 0 0 303.410 0.988 10 0 DCAERN O=C(CCn1cnc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000371870238 396479349 /nfs/dbraw/zinc/47/93/49/396479349.db2.gz ONLIXQBVRPQORI-AWEZNQCLSA-N 0 0 314.389 0.969 10 0 DCAERN CC(=O)Nc1ccc(F)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000371871193 396479376 /nfs/dbraw/zinc/47/93/76/396479376.db2.gz YHJVXOJHZYAQQL-ZDUSSCGKSA-N 0 0 321.352 0.941 10 0 DCAERN O=C([C@@H](O)CCc1ccccc1)N1CCN2CCOC[C@@H]2C1 ZINC000371870731 396479404 /nfs/dbraw/zinc/47/94/04/396479404.db2.gz SMBPDEPNFZSLJN-HOTGVXAUSA-N 0 0 304.390 0.523 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(c2nnc[nH]2)CC1 ZINC000371924172 396480429 /nfs/dbraw/zinc/48/04/29/396480429.db2.gz QCMXACOMADQUEJ-NSHDSACASA-N 0 0 309.395 0.432 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371953113 396480982 /nfs/dbraw/zinc/48/09/82/396480982.db2.gz JNOWDSITOZQDOP-GTJPDFRWSA-N 0 0 317.455 0.260 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C)CC1=O ZINC000372160160 396493626 /nfs/dbraw/zinc/49/36/26/396493626.db2.gz JGNFXNBUSWLBFK-WYUUTHIRSA-N 0 0 301.412 0.314 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@@H]2C)CC1=O ZINC000372160158 396493635 /nfs/dbraw/zinc/49/36/35/396493635.db2.gz JGNFXNBUSWLBFK-KXNHARMFSA-N 0 0 301.412 0.314 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(CCO)CC1)CC2 ZINC000372465998 396519657 /nfs/dbraw/zinc/51/96/57/396519657.db2.gz OOBFNJNTHLRROA-CYBMUJFWSA-N 0 0 320.437 0.775 10 0 DCAERN O=C(NCCOCC1CCC1)C1CCC2(CC1)NC(=O)NC2=O ZINC000519497192 396520021 /nfs/dbraw/zinc/52/00/21/396520021.db2.gz FEMNPRNAHJOTAZ-UHFFFAOYSA-N 0 0 323.393 0.688 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CC(O)(c3ccc(F)cc3)C2)cn1 ZINC000373372139 396587000 /nfs/dbraw/zinc/58/70/00/396587000.db2.gz CRGDHNLCLKZNOF-UHFFFAOYSA-N 0 0 303.293 0.472 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000530670808 396580970 /nfs/dbraw/zinc/58/09/70/396580970.db2.gz IVKMCHCKCCNDCK-QMMMGPOBSA-N 0 0 304.272 0.480 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2CO)CC1=O ZINC000374209984 396647266 /nfs/dbraw/zinc/64/72/66/396647266.db2.gz DRJJXKFIYZJZPW-KSTCHIGDSA-N 0 0 309.410 0.846 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@H](c2noc(C)n2)C1 ZINC000374213843 396648203 /nfs/dbraw/zinc/64/82/03/396648203.db2.gz XROWWMVMOOCCNF-SCZZXKLOSA-N 0 0 305.356 0.116 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)CC1=O ZINC000374216141 396648267 /nfs/dbraw/zinc/64/82/67/396648267.db2.gz FXDPAOZJOOWSRV-XWUBHJNHSA-N 0 0 316.405 0.651 10 0 DCAERN CC(C)CO[C@@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585734127 396651488 /nfs/dbraw/zinc/65/14/88/396651488.db2.gz RAIYDGCMEXDLKG-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000531557927 396597811 /nfs/dbraw/zinc/59/78/11/396597811.db2.gz ZHJPYEPVVMGYTH-SNVBAGLBSA-N 0 0 318.312 0.434 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000373708172 396608549 /nfs/dbraw/zinc/60/85/49/396608549.db2.gz NVLLNHSJNOUYPZ-XQQFMLRXSA-N 0 0 324.425 0.553 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)S(C)(=O)=O)C1 ZINC000533640855 396608803 /nfs/dbraw/zinc/60/88/03/396608803.db2.gz GDTMQGLKHZTNKH-QWRGUYRKSA-N 0 0 319.427 0.120 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H](c3ccnn3C)C2)cn1 ZINC000560943707 396627098 /nfs/dbraw/zinc/62/70/98/396627098.db2.gz OECSUXGFPZBNGQ-GFCCVEGCSA-N 0 0 303.366 0.939 10 0 DCAERN Cn1nccc1CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000561118951 396630347 /nfs/dbraw/zinc/63/03/47/396630347.db2.gz ULHAULJZHFVJNV-KRWDZBQOSA-N 0 0 312.373 0.884 10 0 DCAERN CC(C)(C)OC(=O)N1CCC[C@@](C[C@@H](O)C[NH3+])(C(=O)[O-])C1 ZINC000584880922 396631424 /nfs/dbraw/zinc/63/14/24/396631424.db2.gz JTHFVRKGLLRPQH-YGRLFVJLSA-N 0 0 302.371 0.798 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)C1 ZINC000374020847 396632259 /nfs/dbraw/zinc/63/22/59/396632259.db2.gz ZWNZFDSPPOUYHT-MQIPJXDCSA-N 0 0 310.394 0.650 10 0 DCAERN CCN1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000374054959 396636106 /nfs/dbraw/zinc/63/61/06/396636106.db2.gz QZFMXHSSCZBJRP-CQSZACIVSA-N 0 0 324.425 0.113 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCC1CCOCC1 ZINC000586593653 396661652 /nfs/dbraw/zinc/66/16/52/396661652.db2.gz AFEDRNKUWWVMNS-UHFFFAOYSA-N 0 0 319.427 0.138 10 0 DCAERN COC(=O)[C@@H](CC(C)C)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000586762485 396663770 /nfs/dbraw/zinc/66/37/70/396663770.db2.gz ZUOSCVSLZKVWOD-VXGBXAGGSA-N 0 0 306.428 0.588 10 0 DCAERN CCC(O)(CC)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000587124167 396671294 /nfs/dbraw/zinc/67/12/94/396671294.db2.gz PFBIJRXZXRUPMQ-UHFFFAOYSA-N 0 0 321.443 0.262 10 0 DCAERN NC(=O)NC[C@@H]1CCCCN1C(=O)c1cn2cccnc2n1 ZINC000587998129 396674152 /nfs/dbraw/zinc/67/41/52/396674152.db2.gz FCNDCCDBZCJLGN-JTQLQIEISA-N 0 0 302.338 0.392 10 0 DCAERN CC(=O)N1CC(C(=O)NCCc2cnc3c(Cl)cnn3c2)C1 ZINC000295351996 396693582 /nfs/dbraw/zinc/69/35/82/396693582.db2.gz KJRBPNJVPBUCKS-UHFFFAOYSA-N 0 0 321.768 0.520 10 0 DCAERN CCC[C@@]1(C)NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047764 396706568 /nfs/dbraw/zinc/70/65/68/396706568.db2.gz FHRPTOWWAODLPE-MLGOLLRUSA-N 0 0 323.393 0.877 10 0 DCAERN CNC(=O)c1cccnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000301405140 396716582 /nfs/dbraw/zinc/71/65/82/396716582.db2.gz LEASFBBCSDIWBZ-CYBMUJFWSA-N 0 0 315.377 0.852 10 0 DCAERN O=C(N1CCOC[C@@H]1c1nc[nH]n1)C(F)(F)C1(O)CCC1 ZINC000375324957 396728433 /nfs/dbraw/zinc/72/84/33/396728433.db2.gz XDXHXDALRKEBKE-MRVPVSSYSA-N 0 0 302.281 0.255 10 0 DCAERN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000302796482 396723216 /nfs/dbraw/zinc/72/32/16/396723216.db2.gz CQWJYTRFUCVNIS-LPWJVIDDSA-N 0 0 318.439 0.130 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)[C@H]2COC(C)(C)C2)C1 ZINC000625166090 396792686 /nfs/dbraw/zinc/79/26/86/396792686.db2.gz CTKKWKYRVWPDNV-QWHCGFSZSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000375673370 396793146 /nfs/dbraw/zinc/79/31/46/396793146.db2.gz GAPAWBHVVUBRBW-WBMJQRKESA-N 0 0 312.410 0.953 10 0 DCAERN COC[C@@](C)(CO)NC(=O)Nc1cccc([S@](C)=O)c1 ZINC000610584452 396732778 /nfs/dbraw/zinc/73/27/78/396732778.db2.gz TZLHQSWYVGXVRS-XCLFUZPHSA-N 0 0 300.380 0.943 10 0 DCAERN COCCn1cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cn1 ZINC000375400291 396737335 /nfs/dbraw/zinc/73/73/35/396737335.db2.gz MDVOFNOZHROITM-GHMZBOCLSA-N 0 0 320.315 0.625 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000625032753 396752375 /nfs/dbraw/zinc/75/23/75/396752375.db2.gz IVXWWJJEKNKAOT-SMDDNHRTSA-N 0 0 322.409 0.402 10 0 DCAERN CN1CCCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1=O ZINC000312451599 396765394 /nfs/dbraw/zinc/76/53/94/396765394.db2.gz WWOYWUWYUAPRLM-UHFFFAOYSA-N 0 0 321.761 0.727 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C[C@@H](O)COc2ccccc2)CCO1 ZINC000328625347 396824052 /nfs/dbraw/zinc/82/40/52/396824052.db2.gz DAEGQFOPXLCSTI-HIFRSBDPSA-N 0 0 318.377 0.628 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)n1 ZINC000328630651 396827262 /nfs/dbraw/zinc/82/72/62/396827262.db2.gz QBZSVFIWFMIGFL-CYBMUJFWSA-N 0 0 302.382 0.738 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)N2CCN(C)CC2)[nH]1 ZINC000328705607 396831313 /nfs/dbraw/zinc/83/13/13/396831313.db2.gz YTQDTNBCYGLELK-OCCSQVGLSA-N 0 0 320.441 0.803 10 0 DCAERN O=C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328701316 396831555 /nfs/dbraw/zinc/83/15/55/396831555.db2.gz WOUKFAMTUHSNBN-LJISPDSOSA-N 0 0 310.394 0.256 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000629791577 396835468 /nfs/dbraw/zinc/83/54/68/396835468.db2.gz KAMDTOMVKRQZLM-UPJWGTAASA-N 0 0 322.365 0.725 10 0 DCAERN C[C@@H](C(=O)N1CCCCCC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156972 396840082 /nfs/dbraw/zinc/84/00/82/396840082.db2.gz CYCPAWMPOKAZAO-MELADBBJSA-N 0 0 314.451 0.896 10 0 DCAERN COc1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1F ZINC000375902564 396840381 /nfs/dbraw/zinc/84/03/81/396840381.db2.gz NGIQZPZPODWLBA-CYBMUJFWSA-N 0 0 308.353 0.920 10 0 DCAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(Cc1nc(=O)n(C)[nH]1)C2=O ZINC000329787420 396849218 /nfs/dbraw/zinc/84/92/18/396849218.db2.gz RDPXSNBJEQAORE-ICCCGROCSA-N 0 0 307.354 0.560 10 0 DCAERN COC(=O)c1nn(CCCS(C)(=O)=O)c2c1CCCC2 ZINC000611495703 396875284 /nfs/dbraw/zinc/87/52/84/396875284.db2.gz GDFKZDWQOFTNKK-UHFFFAOYSA-N 0 0 300.380 0.983 10 0 DCAERN C[C@@H]1C[C@@H]1Cn1c(=O)c(I)cn(C)c1=O ZINC000600530563 396884912 /nfs/dbraw/zinc/88/49/12/396884912.db2.gz DAXQWXMKMVKXLU-RNFRBKRXSA-N 0 0 320.130 0.808 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCCSC2)CCS1(=O)=O ZINC000332896147 396899560 /nfs/dbraw/zinc/89/95/60/396899560.db2.gz OCPKBBKSQVOUFL-WDEREUQCSA-N 0 0 306.453 0.958 10 0 DCAERN C[C@H](CCNC(=O)C1(N2CCOCC2)CCC1)[S@@](C)=O ZINC000611487481 396871205 /nfs/dbraw/zinc/87/12/05/396871205.db2.gz LYZYVKFRAIFUEY-MPBGBICISA-N 0 0 302.440 0.515 10 0 DCAERN COC1(c2ccccc2)CN(C(=O)Cn2cc([C@H](C)O)nn2)C1 ZINC000376288151 396905576 /nfs/dbraw/zinc/90/55/76/396905576.db2.gz JITINEKGZYXPRH-LBPRGKRZSA-N 0 0 316.361 0.716 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@H]([C@H]3CCCOC3)C2=O)[nH]n1 ZINC000570026070 396936995 /nfs/dbraw/zinc/93/69/95/396936995.db2.gz PONGTICURZCBPE-GMXVVIOVSA-N 0 0 306.366 0.996 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677666 397011560 /nfs/dbraw/zinc/01/15/60/397011560.db2.gz UANYUMNILVASRM-SECBINFHSA-N 0 0 315.395 0.651 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)CCN1S(C)(=O)=O ZINC000618679151 397011617 /nfs/dbraw/zinc/01/16/17/397011617.db2.gz ZYUSLBMMUBBRHX-SNVBAGLBSA-N 0 0 324.406 0.460 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000377123917 397034016 /nfs/dbraw/zinc/03/40/16/397034016.db2.gz AYQNWRGBNIDMTC-UHFFFAOYSA-N 0 0 313.379 0.051 10 0 DCAERN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cn(C)nn2)c1C ZINC000611984828 396972749 /nfs/dbraw/zinc/97/27/49/396972749.db2.gz ATERAPRJGZXAQK-UHFFFAOYSA-N 0 0 305.338 0.867 10 0 DCAERN CSC1(CNC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000619032723 397067815 /nfs/dbraw/zinc/06/78/15/397067815.db2.gz CAWVONQVLSPKFE-UHFFFAOYSA-N 0 0 321.468 0.607 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)CC(F)F ZINC000592067252 397080801 /nfs/dbraw/zinc/08/08/01/397080801.db2.gz AMPIJZQRDVIRSH-QMMMGPOBSA-N 0 0 302.343 0.607 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000572800823 397096147 /nfs/dbraw/zinc/09/61/47/397096147.db2.gz QIVUYNJTKUZIJD-APIJFGDWSA-N 0 0 322.405 0.698 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n(C)c1 ZINC000572860408 397103954 /nfs/dbraw/zinc/10/39/54/397103954.db2.gz FBHTUDHBFICIDN-LLVKDONJSA-N 0 0 316.365 0.746 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N1CCn2ncnc2C1 ZINC000572434906 397059046 /nfs/dbraw/zinc/05/90/46/397059046.db2.gz ZAVZULPDIRSBBZ-UHFFFAOYSA-N 0 0 303.366 0.459 10 0 DCAERN CCc1nc(CN2CCC[C@@H](N(C)Cc3cnn(C)n3)C2)no1 ZINC000377875190 397157939 /nfs/dbraw/zinc/15/79/39/397157939.db2.gz REFCQEIOPOSYCR-CYBMUJFWSA-N 0 0 319.413 0.857 10 0 DCAERN C[C@@H](CO)NC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000364103682 397183457 /nfs/dbraw/zinc/18/34/57/397183457.db2.gz QKMYIKSPXLWWCQ-VIFPVBQESA-N 0 0 324.381 0.814 10 0 DCAERN O=S(=O)(c1cc(F)ccc1F)N1CC(n2ccnn2)C1 ZINC000364415419 397197036 /nfs/dbraw/zinc/19/70/36/397197036.db2.gz GCPATGCDKYCAMH-UHFFFAOYSA-N 0 0 300.290 0.802 10 0 DCAERN CCN1CC[C@@H](NC(=O)N2CCC3(C[C@H]3C(=O)OC)CC2)C1=O ZINC000619829148 397197211 /nfs/dbraw/zinc/19/72/11/397197211.db2.gz AVKKJSBDZWHWEM-NWDGAFQWSA-N 0 0 323.393 0.592 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619980734 397219370 /nfs/dbraw/zinc/21/93/70/397219370.db2.gz BBAYBJZCQQTESL-XJKSGUPXSA-N 0 0 324.425 0.459 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619988310 397221203 /nfs/dbraw/zinc/22/12/03/397221203.db2.gz WESUEWIMRWNYJD-UONOGXRCSA-N 0 0 324.425 0.459 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 ZINC000573974319 397224628 /nfs/dbraw/zinc/22/46/28/397224628.db2.gz VHQJAFXUUMLTCP-ZDUSSCGKSA-N 0 0 315.439 0.515 10 0 DCAERN CCOC(=O)CN(Cc1nc2c(cnn2C)c(=O)[nH]1)C1CCC1 ZINC000613494341 397266573 /nfs/dbraw/zinc/26/65/73/397266573.db2.gz RZEVKVAPJOXJHX-UHFFFAOYSA-N 0 0 319.365 0.987 10 0 DCAERN N#Cc1ccc(Cl)c(S(=O)(=O)NC2COCCOC2)c1 ZINC000380313385 397269627 /nfs/dbraw/zinc/26/96/27/397269627.db2.gz LAIQUVUQUDXQEH-UHFFFAOYSA-N 0 0 316.766 0.905 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCOC[C@H](C)C1 ZINC000365422885 397280411 /nfs/dbraw/zinc/28/04/11/397280411.db2.gz NQEYAHRHCNRCIY-LLVKDONJSA-N 0 0 308.382 0.977 10 0 DCAERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000365474784 397285798 /nfs/dbraw/zinc/28/57/98/397285798.db2.gz WJRAFUJYKAGFBK-UMSGYPCISA-N 0 0 300.424 0.759 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC000365615850 397301518 /nfs/dbraw/zinc/30/15/18/397301518.db2.gz ZZAIBTQEWNFFNM-SCRDCRAPSA-N 0 0 322.386 0.519 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)CC1 ZINC000598921808 397307921 /nfs/dbraw/zinc/30/79/21/397307921.db2.gz FACPOVCCICRVLK-GHMZBOCLSA-N 0 0 322.365 0.503 10 0 DCAERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000574357597 397260057 /nfs/dbraw/zinc/26/00/57/397260057.db2.gz CQMGIIVBIZYUEO-HIFRSBDPSA-N 0 0 321.421 0.367 10 0 DCAERN CCS(=O)(=O)NCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407951459 397333590 /nfs/dbraw/zinc/33/35/90/397333590.db2.gz VEJGEAYKRSJEDB-VIFPVBQESA-N 0 0 304.334 0.315 10 0 DCAERN CN(C)S(=O)(=O)CCCN1C(=O)[C@@H]2CCCCN2C1=O ZINC000407951768 397334124 /nfs/dbraw/zinc/33/41/24/397334124.db2.gz TVFCFLVYNPLTHG-JTQLQIEISA-N 0 0 303.384 0.085 10 0 DCAERN O=C1CN(S(=O)(=O)C[C@H]2CCCCO2)CCN1C1CC1 ZINC000407957051 397336087 /nfs/dbraw/zinc/33/60/87/397336087.db2.gz MCWSIVMDJIRGKV-GFCCVEGCSA-N 0 0 302.396 0.192 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@]2(C)CCC(=O)NC2)CC1(C)C ZINC000407959679 397336672 /nfs/dbraw/zinc/33/66/72/397336672.db2.gz SNDRLZJHDOTLOY-MRXNPFEDSA-N 0 0 309.410 0.761 10 0 DCAERN O=C1CN(S(=O)(=O)c2cncc(Cl)c2)CCN1C1CC1 ZINC000407959529 397336686 /nfs/dbraw/zinc/33/66/86/397336686.db2.gz UYFGFXLFAGPQGE-UHFFFAOYSA-N 0 0 315.782 0.730 10 0 DCAERN Cc1nn(C)c2ncc(C(=O)N3CCN(C4CC4)C(=O)C3)cc12 ZINC000407959917 397337039 /nfs/dbraw/zinc/33/70/39/397337039.db2.gz XMMVZBUDASQDOX-UHFFFAOYSA-N 0 0 313.361 0.724 10 0 DCAERN C[C@H](CC(=O)N1CC[C@H](S(C)(=O)=O)C1)N1CCCCC1=O ZINC000407962748 397338862 /nfs/dbraw/zinc/33/88/62/397338862.db2.gz DPINHGOGAKUNNL-NEPJUHHUSA-N 0 0 316.423 0.423 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CC(=O)N1C ZINC000407967168 397340528 /nfs/dbraw/zinc/34/05/28/397340528.db2.gz CFHVAPNOJLUXQV-VIFPVBQESA-N 0 0 320.374 0.147 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000407971208 397342659 /nfs/dbraw/zinc/34/26/59/397342659.db2.gz HIEVEWVEKLWFIE-STQMWFEESA-N 0 0 304.412 0.486 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1=O ZINC000407972187 397342737 /nfs/dbraw/zinc/34/27/37/397342737.db2.gz SGXPAVJZTMZVKN-NWDGAFQWSA-N 0 0 309.410 0.713 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CC(=O)N1C ZINC000407972564 397342764 /nfs/dbraw/zinc/34/27/64/397342764.db2.gz UULTYABYCMDHSZ-LLVKDONJSA-N 0 0 316.361 0.029 10 0 DCAERN C[C@H](O)C[C@H]1CCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408019217 397344886 /nfs/dbraw/zinc/34/48/86/397344886.db2.gz XEZRHGVLGQUDIT-TUAOUCFPSA-N 0 0 304.412 0.461 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408083227 397346163 /nfs/dbraw/zinc/34/61/63/397346163.db2.gz IOWPBJYAVDHURH-MHEUCROKSA-N 0 0 311.426 0.469 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408066426 397346348 /nfs/dbraw/zinc/34/63/48/397346348.db2.gz YCZZIWKDBLTBOA-REWJHTLYSA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)CCCO ZINC000366228021 397353715 /nfs/dbraw/zinc/35/37/15/397353715.db2.gz WDKMUVJTVHXUJM-CYBMUJFWSA-N 0 0 306.428 0.422 10 0 DCAERN CC1(C)C[C@@H]1CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602305463 397368080 /nfs/dbraw/zinc/36/80/80/397368080.db2.gz MZMLSGSZIWZWSU-LLVKDONJSA-N 0 0 303.428 0.757 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CC(CC(N)=O)C1)CC2 ZINC000366542023 397373422 /nfs/dbraw/zinc/37/34/22/397373422.db2.gz IDYZFQGCXQCIHQ-NSHDSACASA-N 0 0 304.394 0.972 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404169954 397328370 /nfs/dbraw/zinc/32/83/70/397328370.db2.gz VKJZZJAPFYFVQR-MNOVXSKESA-N 0 0 301.368 0.043 10 0 DCAERN Cc1ccccc1N1CCN(C(=O)C(=O)N(C)CCCO)CC1 ZINC000459867137 397437824 /nfs/dbraw/zinc/43/78/24/397437824.db2.gz RDEVVZWTSVXLMJ-UHFFFAOYSA-N 0 0 319.405 0.484 10 0 DCAERN CN(C(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1)C1CC1 ZINC000459959889 397438425 /nfs/dbraw/zinc/43/84/25/397438425.db2.gz LEPWMCHGGVEYEJ-OAHLLOKOSA-N 0 0 318.373 0.914 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CC1 ZINC000614445697 397438959 /nfs/dbraw/zinc/43/89/59/397438959.db2.gz HCPZBXWORGTYMG-LBPRGKRZSA-N 0 0 311.382 0.056 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000621526204 397392881 /nfs/dbraw/zinc/39/28/81/397392881.db2.gz JEWPYXQFDBWZKM-UONOGXRCSA-N 0 0 324.425 0.553 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)C1 ZINC000621578410 397400606 /nfs/dbraw/zinc/40/06/06/397400606.db2.gz OJMHYKHRKCCRBJ-AXFHLTTASA-N 0 0 323.315 0.562 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC000487129186 397467106 /nfs/dbraw/zinc/46/71/06/397467106.db2.gz NUYBFHUBKQKSCI-DTWKUNHWSA-N 0 0 322.365 0.085 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)NCCOCC2CCC2)CCO1 ZINC000578707301 397472164 /nfs/dbraw/zinc/47/21/64/397472164.db2.gz YESQKQSFYNSWIK-CQSZACIVSA-N 0 0 313.398 0.350 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnc(C)nc1 ZINC000488293223 397489188 /nfs/dbraw/zinc/48/91/88/397489188.db2.gz JIOXBZNSCMKRHE-IUCAKERBSA-N 0 0 323.353 0.363 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000370473379 397489672 /nfs/dbraw/zinc/48/96/72/397489672.db2.gz SDZXTHWIHHVUCK-QWHCGFSZSA-N 0 0 312.435 0.965 10 0 DCAERN O=C(NCC1(O)CCC1)C(=O)Nc1cccc2c1OCCC2 ZINC000370481227 397491484 /nfs/dbraw/zinc/49/14/84/397491484.db2.gz YNQUTKMPVKLNBW-UHFFFAOYSA-N 0 0 304.346 0.981 10 0 DCAERN O=C(NCCn1ccnc1)C(=O)Nc1cccc2c1OCCC2 ZINC000370495637 397495024 /nfs/dbraw/zinc/49/50/24/397495024.db2.gz ASELYDQRBRAMDW-UHFFFAOYSA-N 0 0 314.345 0.963 10 0 DCAERN CN(CCN1CCCC1=O)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000602835004 397497101 /nfs/dbraw/zinc/49/71/01/397497101.db2.gz CYBPPGSENIWPFG-UHFFFAOYSA-N 0 0 320.393 0.902 10 0 DCAERN O=C(NCc1nnc2ccccn21)N[C@H]1CCc2c[nH]nc2C1 ZINC000370448299 397487371 /nfs/dbraw/zinc/48/73/71/397487371.db2.gz DHYSJKRPYSULHB-NSHDSACASA-N 0 0 311.349 0.809 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000605133654 397660530 /nfs/dbraw/zinc/66/05/30/397660530.db2.gz PIPJEKKVBDPXPA-LBPRGKRZSA-N 0 0 302.338 0.241 10 0 DCAERN O=C(CC1CCOCC1)NCCCN1CCCS1(=O)=O ZINC000604976141 397657466 /nfs/dbraw/zinc/65/74/66/397657466.db2.gz RDKAQIIBZFLZJJ-UHFFFAOYSA-N 0 0 304.412 0.345 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)Nc2ccc3nccn3c2)nn1 ZINC000603883913 397625354 /nfs/dbraw/zinc/62/53/54/397625354.db2.gz JEDMBKLPQNAIQE-UHFFFAOYSA-N 0 0 313.321 0.266 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)Cn1cncn1 ZINC000608425383 397729604 /nfs/dbraw/zinc/72/96/04/397729604.db2.gz YPTVWQXGXMULES-WDEREUQCSA-N 0 0 319.413 0.947 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)NCCCC2CC2)C1 ZINC000605603360 397670368 /nfs/dbraw/zinc/67/03/68/397670368.db2.gz PPPOCRIPMXAQPT-LBPRGKRZSA-N 0 0 303.428 0.900 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC1(O)CCC1 ZINC000607037174 397694558 /nfs/dbraw/zinc/69/45/58/397694558.db2.gz KGHIUVFRHFENJJ-UHFFFAOYSA-N 0 0 303.318 0.133 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000609889749 397796892 /nfs/dbraw/zinc/79/68/92/397796892.db2.gz JYBDNWYXBFZROQ-NEPJUHHUSA-N 0 0 317.407 0.754 10 0 DCAERN Cn1nccc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000608558745 397738025 /nfs/dbraw/zinc/73/80/25/397738025.db2.gz JCQFWYCCXHFMMI-CYBMUJFWSA-N 0 0 320.393 0.664 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249630608 296570112 /nfs/dbraw/zinc/57/01/12/296570112.db2.gz VCWJTKYEKOBCEO-IATRGZMQSA-N 0 0 309.410 0.848 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(CCO)CC1 ZINC000157611882 545852614 /nfs/dbraw/zinc/85/26/14/545852614.db2.gz GZHBACWYJUANQJ-LLVKDONJSA-N 0 0 304.412 0.079 10 0 DCAERN CCS(=O)(=O)C1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333141612 286590080 /nfs/dbraw/zinc/59/00/80/286590080.db2.gz JMAKDBMXCYOHPM-JFGNBEQYSA-N 0 0 307.437 0.624 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000187626300 286638282 /nfs/dbraw/zinc/63/82/82/286638282.db2.gz UCMGPKSCCQYWDO-SDDRHHMPSA-N 0 0 306.428 0.876 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000048671718 158007580 /nfs/dbraw/zinc/00/75/80/158007580.db2.gz DDCFNJNENSLGGW-OIBJUYFYSA-N 0 0 301.368 0.566 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC000051470352 158014671 /nfs/dbraw/zinc/01/46/71/158014671.db2.gz IMISLKLPKJTERK-KBPBESRZSA-N 0 0 309.410 0.762 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCNC(=O)C1 ZINC000053092978 158018686 /nfs/dbraw/zinc/01/86/86/158018686.db2.gz GKFNHEQJKMUJPE-SNVBAGLBSA-N 0 0 323.299 0.276 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000055143018 158021596 /nfs/dbraw/zinc/02/15/96/158021596.db2.gz KKUGLVGOXOWURN-RYUDHWBXSA-N 0 0 316.423 0.279 10 0 DCAERN CCc1ccccc1N1C[C@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000057050344 158023800 /nfs/dbraw/zinc/02/38/00/158023800.db2.gz HXKRIDVPQRZAMT-GFCCVEGCSA-N 0 0 317.389 0.982 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCNC(=O)CC1)c1cccs1 ZINC000059882865 158027112 /nfs/dbraw/zinc/02/71/12/158027112.db2.gz RAGAZMDKGGDNLM-LLVKDONJSA-N 0 0 309.391 0.664 10 0 DCAERN CCOCCCNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000063854127 158033099 /nfs/dbraw/zinc/03/30/99/158033099.db2.gz AUALLMUGZHFSHK-UHFFFAOYSA-N 0 0 306.409 0.860 10 0 DCAERN Cc1cccc(OCCNC(=O)[C@H](C)N2CCNC(=O)CC2)c1 ZINC000068334236 158041872 /nfs/dbraw/zinc/04/18/72/158041872.db2.gz AQSZZYYSAWQOAM-AWEZNQCLSA-N 0 0 319.405 0.700 10 0 DCAERN O=C(c1cncn1-c1ccc(F)cc1)N1CCNC(=O)CC1 ZINC000068258330 158042030 /nfs/dbraw/zinc/04/20/30/158042030.db2.gz BDHLAYRYQABRNC-UHFFFAOYSA-N 0 0 302.309 0.974 10 0 DCAERN CC(=O)NCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000072782148 158052304 /nfs/dbraw/zinc/05/23/04/158052304.db2.gz GCILZDZFNLBRLH-UHFFFAOYSA-N 0 0 301.350 0.571 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCCN(C2CC2)CC1 ZINC000072682177 158052726 /nfs/dbraw/zinc/05/27/26/158052726.db2.gz OLYDMESGSUTGCB-NSHDSACASA-N 0 0 303.428 0.299 10 0 DCAERN NC(=O)NCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000073561384 158055972 /nfs/dbraw/zinc/05/59/72/158055972.db2.gz NGEUXVVMFXAUAB-UHFFFAOYSA-N 0 0 301.310 0.282 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000074223957 158058645 /nfs/dbraw/zinc/05/86/45/158058645.db2.gz GPNATLBPHYSEKG-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000074685058 158059991 /nfs/dbraw/zinc/05/99/91/158059991.db2.gz LFAJZFOWDDDKDK-FZMZJTMJSA-N 0 0 303.362 0.823 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000077304091 158067551 /nfs/dbraw/zinc/06/75/51/158067551.db2.gz QHACGAXQSUKJTQ-UHFFFAOYSA-N 0 0 305.378 0.957 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077161152 158067929 /nfs/dbraw/zinc/06/79/29/158067929.db2.gz QOYXXARHIAAIPF-TUAOUCFPSA-N 0 0 300.424 0.965 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)CC1=O ZINC000078779241 158075628 /nfs/dbraw/zinc/07/56/28/158075628.db2.gz MSADMLITQNZNCJ-VHSXEESVSA-N 0 0 322.390 0.551 10 0 DCAERN O=C(NC1CCOCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000080089164 158079966 /nfs/dbraw/zinc/07/99/66/158079966.db2.gz YNANVCXUUGUFPO-ZDUSSCGKSA-N 0 0 305.382 0.924 10 0 DCAERN CN(C)C(=O)CN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000079871809 158080153 /nfs/dbraw/zinc/08/01/53/158080153.db2.gz GGDXUJZPSCXWJW-JTQLQIEISA-N 0 0 309.332 0.807 10 0 DCAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cn3cnnn3)C2)c1 ZINC000081641379 158085869 /nfs/dbraw/zinc/08/58/69/158085869.db2.gz HUAKTYSJNORZNE-NSHDSACASA-N 0 0 317.349 0.706 10 0 DCAERN CCC[C@](C)(NS(=O)(=O)c1cn(CC)cn1)C(=O)OC ZINC000081685243 158086063 /nfs/dbraw/zinc/08/60/63/158086063.db2.gz QSJHRPPYSHAHHI-LBPRGKRZSA-N 0 0 303.384 0.913 10 0 DCAERN O=C(CSc1ccccc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856508 158088308 /nfs/dbraw/zinc/08/83/08/158088308.db2.gz WQHHACNWKONXAH-AWEZNQCLSA-N 0 0 305.359 0.589 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC(O)(CC)CC ZINC000087038905 158091847 /nfs/dbraw/zinc/09/18/47/158091847.db2.gz IFDRCEFLJRRXPL-LBPRGKRZSA-N 0 0 320.455 0.858 10 0 DCAERN CC(C)NC(=O)CCN1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088594985 158094362 /nfs/dbraw/zinc/09/43/62/158094362.db2.gz ZDGDITLNBAIVSB-OAHLLOKOSA-N 0 0 324.469 0.530 10 0 DCAERN Cc1cccn2c1ncc(C(=O)Nc1ccc(=O)n(C)c1)c2=O ZINC000091027002 158107042 /nfs/dbraw/zinc/10/70/42/158107042.db2.gz YPDOQCPPMGKUAC-UHFFFAOYSA-N 0 0 310.313 0.954 10 0 DCAERN COc1ccccc1/C=C/CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091866455 158110717 /nfs/dbraw/zinc/11/07/17/158110717.db2.gz OFFVLIJTUZKNPL-YVARQFDVSA-N 0 0 315.373 0.351 10 0 DCAERN CCn1c(CN2CCOC[C@@H]2C(N)=O)nc2cc(F)ccc21 ZINC000092230814 158111885 /nfs/dbraw/zinc/11/18/85/158111885.db2.gz GZXOCWZBDSFBGE-CYBMUJFWSA-N 0 0 306.341 0.881 10 0 DCAERN COc1ccc(F)cc1NC(=O)C(=O)NCc1ccnn1C ZINC000092221856 158112879 /nfs/dbraw/zinc/11/28/79/158112879.db2.gz XFSVMXXCWHHHBO-UHFFFAOYSA-N 0 0 306.297 0.823 10 0 DCAERN Cc1ccc([C@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)o1 ZINC000093208882 158119519 /nfs/dbraw/zinc/11/95/19/158119519.db2.gz LAEGUSSZGAXGDW-OAHLLOKOSA-N 0 0 307.394 0.735 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000111351793 158140422 /nfs/dbraw/zinc/14/04/22/158140422.db2.gz CGTXHLNPQOHSHY-RYUDHWBXSA-N 0 0 303.428 0.421 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCc2ncnn2C1 ZINC000112651837 158144212 /nfs/dbraw/zinc/14/42/12/158144212.db2.gz SAAARDKJADAONH-LLVKDONJSA-N 0 0 324.344 0.119 10 0 DCAERN Cc1ccn2ncc(C(=O)N(C)[C@H]3CCCCNC3=O)c2n1 ZINC000114323957 158151248 /nfs/dbraw/zinc/15/12/48/158151248.db2.gz LHWGLLRLLPSZRH-LBPRGKRZSA-N 0 0 301.350 0.778 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCC(=O)N(C)C ZINC000114583720 158154466 /nfs/dbraw/zinc/15/44/66/158154466.db2.gz YHYBERGRHXFXCD-LBPRGKRZSA-N 0 0 307.398 0.972 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC(C(=O)N(C)C)CC2)C1=O ZINC000114835478 158157533 /nfs/dbraw/zinc/15/75/33/158157533.db2.gz OISXQAAXDVYBIN-CYBMUJFWSA-N 0 0 324.425 0.506 10 0 DCAERN Cc1noc(CCCC(=O)NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000114854637 158157805 /nfs/dbraw/zinc/15/78/05/158157805.db2.gz CFGLVVMEGIIOSM-CYBMUJFWSA-N 0 0 308.382 0.680 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000114872925 158159072 /nfs/dbraw/zinc/15/90/72/158159072.db2.gz ONTOWYRKCJLUNK-JTQLQIEISA-N 0 0 314.349 0.079 10 0 DCAERN CCCCN(C)S(=O)(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114874483 158159081 /nfs/dbraw/zinc/15/90/81/158159081.db2.gz WJVGARFJPCVJLN-NSHDSACASA-N 0 0 315.443 0.722 10 0 DCAERN CN(C)C(=O)CCCNC(=O)c1cccc(-n2cncn2)c1 ZINC000115344464 158161724 /nfs/dbraw/zinc/16/17/24/158161724.db2.gz JSRGQVAXJOTDEV-UHFFFAOYSA-N 0 0 301.350 0.866 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116123392 158163997 /nfs/dbraw/zinc/16/39/97/158163997.db2.gz JPOXVRJSFXUPPL-SNVBAGLBSA-N 0 0 319.365 0.066 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116123390 158164403 /nfs/dbraw/zinc/16/44/03/158164403.db2.gz JPOXVRJSFXUPPL-JTQLQIEISA-N 0 0 319.365 0.066 10 0 DCAERN COC(=O)NCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116772901 158167551 /nfs/dbraw/zinc/16/75/51/158167551.db2.gz HCXQMFQAKRPYNV-ZDUSSCGKSA-N 0 0 323.397 0.880 10 0 DCAERN CC(C)N(C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000116890710 158168885 /nfs/dbraw/zinc/16/88/85/158168885.db2.gz MFCCPNGZFVIOGC-GFCCVEGCSA-N 0 0 305.444 0.255 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C ZINC000117274663 158170087 /nfs/dbraw/zinc/17/00/87/158170087.db2.gz UGJNJTHDTSMHSH-CYBMUJFWSA-N 0 0 307.394 0.866 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc3nncn3c2)C[C@@H]1C ZINC000117282515 158170275 /nfs/dbraw/zinc/17/02/75/158170275.db2.gz KPDRQGKSHHZIDJ-ZDUSSCGKSA-N 0 0 317.393 0.912 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)NC2(CO)CC2)ccc1F ZINC000119358372 158184950 /nfs/dbraw/zinc/18/49/50/158184950.db2.gz JJBWOGPXPNVLFU-UHFFFAOYSA-N 0 0 306.301 0.756 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N[C@H]1CCCn3ncnc31)c2O ZINC000119327915 158185524 /nfs/dbraw/zinc/18/55/24/158185524.db2.gz YLZKBSBPQVLXGS-JTQLQIEISA-N 0 0 313.321 0.530 10 0 DCAERN O=C(c1cccnc1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119927946 158190505 /nfs/dbraw/zinc/19/05/05/158190505.db2.gz KDNZHXIDMYNYQH-CYBMUJFWSA-N 0 0 309.391 0.722 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000119994459 158192013 /nfs/dbraw/zinc/19/20/13/158192013.db2.gz JQKOXRPZTGLNSQ-CHWSQXEVSA-N 0 0 304.394 0.680 10 0 DCAERN CC(C)C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000120120158 158193526 /nfs/dbraw/zinc/19/35/26/158193526.db2.gz HWMXHBKQGWVKEZ-STQMWFEESA-N 0 0 319.409 0.860 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120154477 158194399 /nfs/dbraw/zinc/19/43/99/158194399.db2.gz KKFULCLFWZRPTO-RYUDHWBXSA-N 0 0 302.396 0.049 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121042311 158206311 /nfs/dbraw/zinc/20/63/11/158206311.db2.gz QBQNGOPMHYXOES-LOWVWBTDSA-N 0 0 304.412 0.078 10 0 DCAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3cc[nH]n3)CC2)C1 ZINC000121072381 158206729 /nfs/dbraw/zinc/20/67/29/158206729.db2.gz QJCSLQHBVWXFJO-INIZCTEOSA-N 0 0 307.442 0.637 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c(=O)[nH]c1C ZINC000121467366 158209909 /nfs/dbraw/zinc/20/99/09/158209909.db2.gz GLGCIKBWKBYEGF-LBPRGKRZSA-N 0 0 313.361 0.790 10 0 DCAERN O=C(CCCc1nc(C2CC2)no1)N[C@H]1CCc2ncnn2C1 ZINC000122294447 158220170 /nfs/dbraw/zinc/22/01/70/158220170.db2.gz JPRYAZZPRYXBAA-NSHDSACASA-N 0 0 316.365 0.992 10 0 DCAERN CNc1ncc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000122661300 158222674 /nfs/dbraw/zinc/22/26/74/158222674.db2.gz QUJCFROPRSSCEF-GHMZBOCLSA-N 0 0 310.423 0.978 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCNC(=O)CC1 ZINC000124664249 158245380 /nfs/dbraw/zinc/24/53/80/158245380.db2.gz YHFOGDLEOXTQPM-AWEZNQCLSA-N 0 0 315.373 0.384 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccnc(-n2cncn2)c1 ZINC000124638854 158245608 /nfs/dbraw/zinc/24/56/08/158245608.db2.gz UJOMQIPRMBDANR-UHFFFAOYSA-N 0 0 314.349 0.405 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000126992724 158269743 /nfs/dbraw/zinc/26/97/43/158269743.db2.gz ZMFXNMZLNFYSOK-CYBMUJFWSA-N 0 0 306.410 0.954 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 ZINC000127461116 158273108 /nfs/dbraw/zinc/27/31/08/158273108.db2.gz QSSKHOBKMKPWEJ-UHFFFAOYSA-N 0 0 308.363 0.849 10 0 DCAERN C[C@H](CNC(=O)N[C@H](CO)CC(C)(C)C)N1CCOCC1 ZINC000128305126 158279675 /nfs/dbraw/zinc/27/96/75/158279675.db2.gz NQGXJDQRQMPMCH-OLZOCXBDSA-N 0 0 301.431 0.803 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000128448613 158280881 /nfs/dbraw/zinc/28/08/81/158280881.db2.gz FKMYICKOKFYFAD-TZMCWYRMSA-N 0 0 306.362 0.890 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC)n2)C1 ZINC000129054309 158285350 /nfs/dbraw/zinc/28/53/50/158285350.db2.gz XOXZCUCFQWYDPT-GFCCVEGCSA-N 0 0 306.366 0.900 10 0 DCAERN CCNC(=O)CNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000130031875 158293262 /nfs/dbraw/zinc/29/32/62/158293262.db2.gz KJFGLWCNLCDEOZ-ZDUSSCGKSA-N 0 0 324.425 0.603 10 0 DCAERN CCNC(=O)CNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000131362535 158301843 /nfs/dbraw/zinc/30/18/43/158301843.db2.gz CJODVPWZCKPDKL-UHFFFAOYSA-N 0 0 307.325 0.818 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000131905062 158307129 /nfs/dbraw/zinc/30/71/29/158307129.db2.gz ULMJTHLCQKUTBC-KBPBESRZSA-N 0 0 310.442 0.187 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1csc(C2CC2)n1 ZINC000132295484 158309646 /nfs/dbraw/zinc/30/96/46/158309646.db2.gz HDMGLEKQBCFKKW-LLVKDONJSA-N 0 0 311.407 0.443 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2)o1 ZINC000133405351 158319576 /nfs/dbraw/zinc/31/95/76/158319576.db2.gz VAPBJZNSLNZWDJ-JQWIXIFHSA-N 0 0 301.364 0.921 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000133752326 158321650 /nfs/dbraw/zinc/32/16/50/158321650.db2.gz SDBKTGYMSIAOLK-LBPRGKRZSA-N 0 0 318.439 0.179 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N[C@H]1CCC(=O)N(C)C1)C2 ZINC000133914311 158323137 /nfs/dbraw/zinc/32/31/37/158323137.db2.gz WLCGJCHYSHQBPS-OLZOCXBDSA-N 0 0 318.373 0.983 10 0 DCAERN COC(=O)NCCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133967444 158323597 /nfs/dbraw/zinc/32/35/97/158323597.db2.gz LCGSBNZCDXLOSN-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN COC[C@H](C)N(C)S(=O)(=O)c1scnc1C(=O)OC ZINC000134687795 158329488 /nfs/dbraw/zinc/32/94/88/158329488.db2.gz OMNLUFAURBZHOI-ZETCQYMHSA-N 0 0 308.381 0.585 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@H](Oc3cccnc3)C2)CCC1=O ZINC000134770625 158330918 /nfs/dbraw/zinc/33/09/18/158330918.db2.gz TWGLERGJDPWYAW-OCCSQVGLSA-N 0 0 318.377 0.865 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(=O)[nH]n1 ZINC000134843786 158330929 /nfs/dbraw/zinc/33/09/29/158330929.db2.gz IMBQBUTUCSDWRY-SECBINFHSA-N 0 0 319.752 0.827 10 0 DCAERN O=C(CN1CCCCC1=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135279876 158334919 /nfs/dbraw/zinc/33/49/19/158334919.db2.gz RIKUPVCGIWYHJZ-CYBMUJFWSA-N 0 0 317.393 0.574 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135322186 158335418 /nfs/dbraw/zinc/33/54/18/158335418.db2.gz OFINVZCZXKXOLN-JQWIXIFHSA-N 0 0 305.382 0.803 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135263209 158335505 /nfs/dbraw/zinc/33/55/05/158335505.db2.gz HOZIIZIJXLMADB-SECBINFHSA-N 0 0 300.384 0.226 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cscn1 ZINC000138771317 158347883 /nfs/dbraw/zinc/34/78/83/158347883.db2.gz UXGVZUUGPPDLMY-SNVBAGLBSA-N 0 0 310.423 0.700 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000159317601 158353322 /nfs/dbraw/zinc/35/33/22/158353322.db2.gz ZZIZRCXYKPVABC-UHFFFAOYSA-N 0 0 318.420 0.654 10 0 DCAERN COCCn1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000163077077 158361887 /nfs/dbraw/zinc/36/18/87/158361887.db2.gz LVHIYJRTGNMDJE-GHMZBOCLSA-N 0 0 309.370 0.695 10 0 DCAERN CCN(CC)C(=O)CCC(=O)NCCc1nnc2n1CCCC2 ZINC000166317768 158365544 /nfs/dbraw/zinc/36/55/44/158365544.db2.gz DYZWVLZKWFJMKK-UHFFFAOYSA-N 0 0 321.425 0.922 10 0 DCAERN C[C@@H]1CO[C@@H](CO)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000167847764 158369539 /nfs/dbraw/zinc/36/95/39/158369539.db2.gz MFFALDRXWILVTL-NOZJJQNGSA-N 0 0 300.305 0.985 10 0 DCAERN CC(C)(CO)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170578989 158374977 /nfs/dbraw/zinc/37/49/77/158374977.db2.gz UVVOSLHEXYRABH-SNVBAGLBSA-N 0 0 320.345 0.655 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000170756609 158376166 /nfs/dbraw/zinc/37/61/66/158376166.db2.gz FZKPHSCUGLSWIW-STQMWFEESA-N 0 0 303.362 0.976 10 0 DCAERN CC(C)n1nnnc1CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000170778078 158377120 /nfs/dbraw/zinc/37/71/20/158377120.db2.gz DAAHKJFVLCLPAY-ZDUSSCGKSA-N 0 0 322.413 0.467 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000171066508 158379797 /nfs/dbraw/zinc/37/97/97/158379797.db2.gz BTMXZUXBRFRAHV-WDEREUQCSA-N 0 0 323.422 0.329 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171619596 158384337 /nfs/dbraw/zinc/38/43/37/158384337.db2.gz UDMVVPLQJYOBDG-SNVBAGLBSA-N 0 0 305.304 0.936 10 0 DCAERN COc1ccc(-c2nnc(CNC(=O)[C@@H]3CNC(=O)C3)[nH]2)cc1 ZINC000171595534 158384632 /nfs/dbraw/zinc/38/46/32/158384632.db2.gz AGIILMOAHORLQI-JTQLQIEISA-N 0 0 315.333 0.233 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171763034 158386659 /nfs/dbraw/zinc/38/66/59/158386659.db2.gz GHNBDNWUPJLSOW-OLZOCXBDSA-N 0 0 312.391 0.379 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCCOc1ccc(F)cc1F ZINC000171743936 158386874 /nfs/dbraw/zinc/38/68/74/158386874.db2.gz RMHNTAZNDSTOPG-VIFPVBQESA-N 0 0 313.304 0.874 10 0 DCAERN COc1cc(CNC(=O)N[C@@H]2CCc3ncnn3C2)ccc1O ZINC000171867184 158387235 /nfs/dbraw/zinc/38/72/35/158387235.db2.gz SOOMVFHJDYRHOB-LLVKDONJSA-N 0 0 317.349 0.807 10 0 DCAERN CCN1CCN(CC(=O)N2CCNC(=O)C2)c2ccccc21 ZINC000171943302 158388806 /nfs/dbraw/zinc/38/88/06/158388806.db2.gz OYDDJJSMMXOLAD-UHFFFAOYSA-N 0 0 302.378 0.291 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000172091917 158390128 /nfs/dbraw/zinc/39/01/28/158390128.db2.gz SNMDYWJOEWWWDG-ZJUUUORDSA-N 0 0 317.436 0.787 10 0 DCAERN NC(=O)c1ccccc1NC(=O)CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000172037407 158390211 /nfs/dbraw/zinc/39/02/11/158390211.db2.gz YDMQRFJQCGSMLV-HBBFGDNQSA-N 0 0 317.389 0.817 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](OC)C1)CC2 ZINC000172041551 158390582 /nfs/dbraw/zinc/39/05/82/158390582.db2.gz ZNJMUUZCTFIKFU-RYUDHWBXSA-N 0 0 307.398 0.976 10 0 DCAERN CC[C@H](COC)NC(=O)NCc1cccnc1-n1cncn1 ZINC000172398065 158393945 /nfs/dbraw/zinc/39/39/45/158393945.db2.gz UMECPAQXNGCXNW-GFCCVEGCSA-N 0 0 304.354 0.887 10 0 DCAERN O=C(NCC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)NCc1ccco1 ZINC000172368194 158394180 /nfs/dbraw/zinc/39/41/80/158394180.db2.gz RVODHIRIWFSZAS-ODOQXGPZSA-N 0 0 321.377 0.698 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000172542091 158395602 /nfs/dbraw/zinc/39/56/02/158395602.db2.gz ZZISAPLVQLNCOL-YPMHNXCESA-N 0 0 319.409 0.991 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172742057 158398518 /nfs/dbraw/zinc/39/85/18/158398518.db2.gz RLAVZKDVNZZCOQ-OAHLLOKOSA-N 0 0 317.389 0.867 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)cc12 ZINC000172747502 158398980 /nfs/dbraw/zinc/39/89/80/158398980.db2.gz OMSAENZNEXWWJB-CYBMUJFWSA-N 0 0 315.377 0.813 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172766753 158399394 /nfs/dbraw/zinc/39/93/94/158399394.db2.gz RJZCZCDZKCLYAT-CYBMUJFWSA-N 0 0 311.426 0.472 10 0 DCAERN CN(C)C(=O)CC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000174055139 158414256 /nfs/dbraw/zinc/41/42/56/158414256.db2.gz KIZLOKIHIZRACM-UHFFFAOYSA-N 0 0 312.395 0.392 10 0 DCAERN CN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1=O ZINC000174387199 158416353 /nfs/dbraw/zinc/41/63/53/158416353.db2.gz KZPVNUVUXGUWLV-OLZOCXBDSA-N 0 0 305.382 0.850 10 0 DCAERN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1F ZINC000174326130 158416598 /nfs/dbraw/zinc/41/65/98/158416598.db2.gz BCXKDWJERHGPOE-VIFPVBQESA-N 0 0 323.299 0.735 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2ccccc2C)C1 ZINC000176427821 158437707 /nfs/dbraw/zinc/43/77/07/158437707.db2.gz POGLEUDSGXOHRN-UHFFFAOYSA-N 0 0 303.362 0.319 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCCN(c3cccnn3)CC2)c1 ZINC000176513743 158438541 /nfs/dbraw/zinc/43/85/41/158438541.db2.gz NJZLMEOUCFCIHH-UHFFFAOYSA-N 0 0 314.349 0.256 10 0 DCAERN COCCCN(CCOC)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176609611 158438934 /nfs/dbraw/zinc/43/89/34/158438934.db2.gz UQENHIJVHVNWOW-GFCCVEGCSA-N 0 0 311.386 0.808 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)CCC1=O ZINC000177540179 158447686 /nfs/dbraw/zinc/44/76/86/158447686.db2.gz FQPNQIIHYUUQLD-OLZOCXBDSA-N 0 0 305.382 0.678 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnc2sccn2c1=O)C(C)C ZINC000178678375 158461514 /nfs/dbraw/zinc/46/15/14/158461514.db2.gz YJQHSBVPPZKSOU-SECBINFHSA-N 0 0 308.363 0.256 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000179141565 158469858 /nfs/dbraw/zinc/46/98/58/158469858.db2.gz VSDAIAJIJZWHIF-UHFFFAOYSA-N 0 0 316.365 0.796 10 0 DCAERN CC[C@H](CCO)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180602363 158479630 /nfs/dbraw/zinc/47/96/30/158479630.db2.gz LAGBNOFMRBGFNG-SNVBAGLBSA-N 0 0 317.349 0.687 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000184557925 158509702 /nfs/dbraw/zinc/50/97/02/158509702.db2.gz YUJOAYQAMUHHPV-UHFFFAOYSA-N 0 0 316.317 0.819 10 0 DCAERN CC1(Cn2cc(C(=O)N3CC[C@@H]4OCCC[C@@H]4C3)nn2)COC1 ZINC000185163929 158515111 /nfs/dbraw/zinc/51/51/11/158515111.db2.gz JACHQROSIKDNDU-OCCSQVGLSA-N 0 0 320.393 0.956 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185088283 158515400 /nfs/dbraw/zinc/51/54/00/158515400.db2.gz HAOZZCRJKBZAOV-OLZOCXBDSA-N 0 0 312.410 0.993 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2nnn(C)c2c1 ZINC000185180707 158516002 /nfs/dbraw/zinc/51/60/02/158516002.db2.gz ZUXQWDNNGOGWHY-GXSJLCMTSA-N 0 0 301.350 0.694 10 0 DCAERN Cn1nccc1CCC(=O)NCCc1cccc(C(N)=O)c1 ZINC000185263400 158518536 /nfs/dbraw/zinc/51/85/36/158518536.db2.gz RKGHDGBUCPNYTR-UHFFFAOYSA-N 0 0 300.362 0.811 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)[nH]1 ZINC000186094946 158526922 /nfs/dbraw/zinc/52/69/22/158526922.db2.gz DXSFAUBDJKYRDB-LBPRGKRZSA-N 0 0 323.378 0.458 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187633853 158539196 /nfs/dbraw/zinc/53/91/96/158539196.db2.gz IXXMMCWVXGGJPS-BLLLJJGKSA-N 0 0 312.410 0.945 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000188414756 158544199 /nfs/dbraw/zinc/54/41/99/158544199.db2.gz ZKWMTBUBHLGHLS-ZIAGYGMSSA-N 0 0 310.781 0.980 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000188851893 158547909 /nfs/dbraw/zinc/54/79/09/158547909.db2.gz GLBWUJVSFQECQR-MRVPVSSYSA-N 0 0 316.404 0.502 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](Nc1cncc(OCCO)n1)CC2 ZINC000189301342 158550693 /nfs/dbraw/zinc/55/06/93/158550693.db2.gz IOSARLSCSYZWBY-NSHDSACASA-N 0 0 318.381 0.990 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(N(C)C)ccn2)CC1=O ZINC000189312457 158551548 /nfs/dbraw/zinc/55/15/48/158551548.db2.gz JCYNFXYYOGDIDM-UHFFFAOYSA-N 0 0 320.393 0.469 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189756564 158555092 /nfs/dbraw/zinc/55/50/92/158555092.db2.gz PVEAGQOGXBFWEW-LBPRGKRZSA-N 0 0 322.413 0.594 10 0 DCAERN CCN1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CC1=O ZINC000190555294 158561261 /nfs/dbraw/zinc/56/12/61/158561261.db2.gz UMMYBASTSOXVGM-UHFFFAOYSA-N 0 0 301.302 0.897 10 0 DCAERN COCCN1CCCN(CC(=O)NCc2ccco2)CC1=O ZINC000190762362 158563142 /nfs/dbraw/zinc/56/31/42/158563142.db2.gz SSCFYFGNGMALHV-UHFFFAOYSA-N 0 0 309.366 0.077 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccc(OC)cc2)CC1=O ZINC000191275285 158567354 /nfs/dbraw/zinc/56/73/54/158567354.db2.gz RFLDCAOLCQSRSA-UHFFFAOYSA-N 0 0 320.389 0.945 10 0 DCAERN CCN1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1=O ZINC000191563829 158568834 /nfs/dbraw/zinc/56/88/34/158568834.db2.gz CIQRQWYWCTUSOV-SNVBAGLBSA-N 0 0 307.316 0.909 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192213746 158574177 /nfs/dbraw/zinc/57/41/77/158574177.db2.gz KBWDITDKFDOBBB-GFCCVEGCSA-N 0 0 307.325 0.179 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)c2cnn3ccncc23)CC1=O ZINC000193419270 158584053 /nfs/dbraw/zinc/58/40/53/158584053.db2.gz XJPCMYVIXKILQI-SNVBAGLBSA-N 0 0 301.350 0.859 10 0 DCAERN Cc1noc(C)c1CSCC(=O)NC[C@H]1CN(C)CCO1 ZINC000194619158 158599340 /nfs/dbraw/zinc/59/93/40/158599340.db2.gz XBZNTMGRDUONCB-LBPRGKRZSA-N 0 0 313.423 0.971 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518136 158613666 /nfs/dbraw/zinc/61/36/66/158613666.db2.gz JPVMSZLLRWWQTN-JQWIXIFHSA-N 0 0 324.381 0.310 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1cccn1C ZINC000234619987 158629969 /nfs/dbraw/zinc/62/99/69/158629969.db2.gz ZKXZJPHIPHGBDL-VXGBXAGGSA-N 0 0 300.380 0.786 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000245907774 158654613 /nfs/dbraw/zinc/65/46/13/158654613.db2.gz BROHLWSOZZHUQK-GXTWGEPZSA-N 0 0 312.391 0.042 10 0 DCAERN COCCN(C[C@H](O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000248396342 158690772 /nfs/dbraw/zinc/69/07/72/158690772.db2.gz PUTZIIHMDSVYRH-IUCAKERBSA-N 0 0 305.318 0.045 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)NC1CCOCC1 ZINC000248889316 158699702 /nfs/dbraw/zinc/69/97/02/158699702.db2.gz YJHWSQAXUZAOQK-LNSITVRQSA-N 0 0 310.394 0.555 10 0 DCAERN COC[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000302545391 158981643 /nfs/dbraw/zinc/98/16/43/158981643.db2.gz ISJZTTSBFAZODC-WDEREUQCSA-N 0 0 310.375 0.871 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000316411852 159002891 /nfs/dbraw/zinc/00/28/91/159002891.db2.gz NKVBDQKJKNAUKX-NEPJUHHUSA-N 0 0 308.378 0.799 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000316411853 159002971 /nfs/dbraw/zinc/00/29/71/159002971.db2.gz NKVBDQKJKNAUKX-NWDGAFQWSA-N 0 0 308.378 0.799 10 0 DCAERN Cc1nnc([C@H]2CCCCN2CCN2CCCS2(=O)=O)[nH]1 ZINC000328623037 159015609 /nfs/dbraw/zinc/01/56/09/159015609.db2.gz YOWSKGSMEIECIC-GFCCVEGCSA-N 0 0 313.427 0.676 10 0 DCAERN Cc1cc(CN2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000328642601 159016828 /nfs/dbraw/zinc/01/68/28/159016828.db2.gz GBHRDHGYUYXHRH-OAHLLOKOSA-N 0 0 304.394 0.864 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@H](C(=O)C2CC2)C1)N1CCCCC1=O ZINC000328681935 159020713 /nfs/dbraw/zinc/02/07/13/159020713.db2.gz OLIJPYULDKNURA-JSGCOSHPSA-N 0 0 322.405 0.984 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000328695464 159022254 /nfs/dbraw/zinc/02/22/54/159022254.db2.gz GKKRBCWNWJJAJG-RBSFLKMASA-N 0 0 322.405 0.984 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328697223 159022297 /nfs/dbraw/zinc/02/22/97/159022297.db2.gz DKUGZAKSACBRDQ-QWRGUYRKSA-N 0 0 317.411 0.555 10 0 DCAERN C[C@@H](CC(=O)N1CCCS(=O)(=O)CC1)N1CCCCC1=O ZINC000328777814 159028676 /nfs/dbraw/zinc/02/86/76/159028676.db2.gz SYFKMUMMVMKVRZ-LBPRGKRZSA-N 0 0 316.423 0.425 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)C1 ZINC000328795714 159030330 /nfs/dbraw/zinc/03/03/30/159030330.db2.gz CNASXUSTHIYLAR-NSHDSACASA-N 0 0 309.453 0.873 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)no1 ZINC000328839372 159033561 /nfs/dbraw/zinc/03/35/61/159033561.db2.gz OGODFDZWXVNEBU-CHWSQXEVSA-N 0 0 315.395 0.218 10 0 DCAERN Cn1nccc1COCC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000328843739 159033867 /nfs/dbraw/zinc/03/38/67/159033867.db2.gz WKRSJUSNYMZPJM-ZDUSSCGKSA-N 0 0 303.366 0.997 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328902153 159039250 /nfs/dbraw/zinc/03/92/50/159039250.db2.gz GGXHQUAXBIVESS-RRFJBIMHSA-N 0 0 323.437 0.567 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CCOC[C@H]3CCCO3)C[C@H]21 ZINC000328914432 159041321 /nfs/dbraw/zinc/04/13/21/159041321.db2.gz QEGMQEKWAWNOMG-RBSFLKMASA-N 0 0 312.410 0.504 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000328958016 159046871 /nfs/dbraw/zinc/04/68/71/159046871.db2.gz OHEDAMWFCVBYCT-UONOGXRCSA-N 0 0 305.378 0.564 10 0 DCAERN CCn1nncc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329029835 159053533 /nfs/dbraw/zinc/05/35/33/159053533.db2.gz PGNGOIIVGIAAHY-CYBMUJFWSA-N 0 0 320.441 0.539 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329080646 159058674 /nfs/dbraw/zinc/05/86/74/159058674.db2.gz CSQKZNSGGHVNOM-FRRDWIJNSA-N 0 0 311.382 0.392 10 0 DCAERN CN(C)c1cnc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000329152202 159067751 /nfs/dbraw/zinc/06/77/51/159067751.db2.gz ANBFLXPFYHKAND-STQMWFEESA-N 0 0 305.382 0.088 10 0 DCAERN O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(C2CC2)CC1 ZINC000329214120 159073785 /nfs/dbraw/zinc/07/37/85/159073785.db2.gz KQAMGGQXLNAMPF-UHFFFAOYSA-N 0 0 314.345 0.961 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](C3CCOCC3)C2)O1 ZINC000329238705 159075576 /nfs/dbraw/zinc/07/55/76/159075576.db2.gz PVJJJDJSIRJDNL-KFWWJZLASA-N 0 0 324.421 0.897 10 0 DCAERN C[C@@H](CNC(=O)c1ccc2nccnc2n1)N1CCOCC1 ZINC000329267764 159077189 /nfs/dbraw/zinc/07/71/89/159077189.db2.gz GKUNCAXABAWBAD-NSHDSACASA-N 0 0 301.350 0.475 10 0 DCAERN Cn1cc(-c2nn(C)cc2C(=O)N2CCC[C@](F)(CO)C2)cn1 ZINC000329291407 159079870 /nfs/dbraw/zinc/07/98/70/159079870.db2.gz QWKKLYLJTABYGZ-OAHLLOKOSA-N 0 0 321.356 0.757 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOCC2(CC2)C1 ZINC000329331006 159083075 /nfs/dbraw/zinc/08/30/75/159083075.db2.gz MDCRQTYRAVIVSQ-UHFFFAOYSA-N 0 0 302.338 0.048 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C[C@@]2(CCOC2)O1 ZINC000329354109 159084576 /nfs/dbraw/zinc/08/45/76/159084576.db2.gz VFJPDSRIHVYNSZ-ZIBATOQPSA-N 0 0 312.366 0.866 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329377970 159087008 /nfs/dbraw/zinc/08/70/08/159087008.db2.gz MFXNXZPGELJUNM-QWHCGFSZSA-N 0 0 304.394 0.822 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329383015 159087299 /nfs/dbraw/zinc/08/72/99/159087299.db2.gz OSUXSQKXNPGVIG-XQQFMLRXSA-N 0 0 314.451 0.752 10 0 DCAERN O=C([C@@H]1COCCO1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000329406470 159090029 /nfs/dbraw/zinc/09/00/29/159090029.db2.gz AYPCPVHJVRNEAA-AAEUAGOBSA-N 0 0 306.366 0.734 10 0 DCAERN CCN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000329420132 159091846 /nfs/dbraw/zinc/09/18/46/159091846.db2.gz HEEKITDSAOOTMF-KBPBESRZSA-N 0 0 309.410 0.321 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)NC2CCCC2)CCCC1 ZINC000329452697 159094294 /nfs/dbraw/zinc/09/42/94/159094294.db2.gz PBDJGYRJOBODBT-UHFFFAOYSA-N 0 0 324.468 0.710 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)N2CC3(C2)CCCOC3)c1 ZINC000329480086 159096167 /nfs/dbraw/zinc/09/61/67/159096167.db2.gz VKPVGQSBXZTUSP-UHFFFAOYSA-N 0 0 324.402 0.728 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@@H]1OC ZINC000329526318 159100115 /nfs/dbraw/zinc/10/01/15/159100115.db2.gz SXOLPEWBPHMBTG-SOUVJXGZSA-N 0 0 312.410 0.360 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)nn1 ZINC000329581167 159105067 /nfs/dbraw/zinc/10/50/67/159105067.db2.gz VBWOSNDVHJQGRP-ZMJPVWNMSA-N 0 0 308.382 0.983 10 0 DCAERN CC[C@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCCO1 ZINC000329676245 159110980 /nfs/dbraw/zinc/11/09/80/159110980.db2.gz WBWMLNKLDKKNHJ-IACUBPJLSA-N 0 0 324.381 0.506 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000249244205 298232685 /nfs/dbraw/zinc/23/26/85/298232685.db2.gz DNLSLYXNRPTNPJ-HTQZYQBOSA-N 0 0 323.358 0.776 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329723000 159114073 /nfs/dbraw/zinc/11/40/73/159114073.db2.gz CPIWDEYEJCKPAM-LNSITVRQSA-N 0 0 313.357 0.626 10 0 DCAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1cnn2c1OCCC2 ZINC000329740989 159115973 /nfs/dbraw/zinc/11/59/73/159115973.db2.gz VRYFIGWJZJSAMP-ZJUUUORDSA-N 0 0 301.368 0.247 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1N1CCOCC1 ZINC000329754192 159117458 /nfs/dbraw/zinc/11/74/58/159117458.db2.gz XDLFWMVQOIHVOU-QLFBSQMISA-N 0 0 323.437 0.424 10 0 DCAERN C[C@@H]1c2nncn2CCN1S(=O)(=O)NCc1ccccc1 ZINC000329851424 159123396 /nfs/dbraw/zinc/12/33/96/159123396.db2.gz QTLNRJLNCGDCQY-LLVKDONJSA-N 0 0 307.379 0.689 10 0 DCAERN O=C1[C@H](N2CCn3c(nnc3-c3cccnc3)C2)CCN1C1CC1 ZINC000330236763 159153755 /nfs/dbraw/zinc/15/37/55/159153755.db2.gz AJWZPAOGDLBUHC-CQSZACIVSA-N 0 0 324.388 0.919 10 0 DCAERN CC(C)N1CC[C@@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)C1=O ZINC000330300366 159157740 /nfs/dbraw/zinc/15/77/40/159157740.db2.gz NCXRKILBFRYYSV-MNOVXSKESA-N 0 0 305.338 0.227 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000330325026 159159977 /nfs/dbraw/zinc/15/99/77/159159977.db2.gz IYNTUIKEYSZOBI-GLXKHTEVSA-N 0 0 318.464 0.525 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H](n2cccn2)C1 ZINC000332724534 159210485 /nfs/dbraw/zinc/21/04/85/159210485.db2.gz OXWJATPBFREZIY-WCQYABFASA-N 0 0 305.382 0.897 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1=O ZINC000332727192 159211143 /nfs/dbraw/zinc/21/11/43/159211143.db2.gz GETAEJXGQKOBHT-WDEREUQCSA-N 0 0 309.366 0.087 10 0 DCAERN CN1C[C@@H](C(=O)NC[C@H]2Cc3ccccc3N(C)C2)CC1=O ZINC000332951454 159217971 /nfs/dbraw/zinc/21/79/71/159217971.db2.gz BMOSCUASVMDGAB-OCCSQVGLSA-N 0 0 301.390 0.890 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000348259354 159236949 /nfs/dbraw/zinc/23/69/49/159236949.db2.gz LLIMGMCTXTZGDL-BIMULSAOSA-N 0 0 310.300 0.878 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)[nH]1 ZINC000366714933 159281639 /nfs/dbraw/zinc/28/16/39/159281639.db2.gz XZQNRVLLBAAHLF-KWBADKCTSA-N 0 0 313.361 0.992 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCO1 ZINC000366778849 159286815 /nfs/dbraw/zinc/28/68/15/159286815.db2.gz IGDOBCFGOBSQCF-WUHRBBMRSA-N 0 0 324.377 0.527 10 0 DCAERN CC1(C)CN(C(=O)NOC[C@H]2CCOC2)C[C@]2(CCOC2)O1 ZINC000366820768 159290452 /nfs/dbraw/zinc/29/04/52/159290452.db2.gz CPNQCKJSQQPTJC-WFASDCNBSA-N 0 0 314.382 0.934 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C)C1 ZINC000367486872 159341338 /nfs/dbraw/zinc/34/13/38/159341338.db2.gz VLHCDMJKLHZWFP-QJPTWQEYSA-N 0 0 304.412 0.340 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000367618847 159347615 /nfs/dbraw/zinc/34/76/15/159347615.db2.gz OJQUDLPGSISBLS-FMKGYKFTSA-N 0 0 307.394 0.513 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000367641002 159348308 /nfs/dbraw/zinc/34/83/08/159348308.db2.gz BIMWUJHWPGDATA-NSHDSACASA-N 0 0 302.330 0.920 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000368325158 159387148 /nfs/dbraw/zinc/38/71/48/159387148.db2.gz XVSHEZKFFNAEJC-XMHCIUCPSA-N 0 0 323.418 0.972 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368725968 159414676 /nfs/dbraw/zinc/41/46/76/159414676.db2.gz AICSUURIIGMFGJ-JTQLQIEISA-N 0 0 318.420 0.462 10 0 DCAERN CC(C)[C@H](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000368938510 159428164 /nfs/dbraw/zinc/42/81/64/159428164.db2.gz WJKJVRBCGNDJPK-KGLIPLIRSA-N 0 0 316.467 1.000 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373809258 159700317 /nfs/dbraw/zinc/70/03/17/159700317.db2.gz IHWVRYRKMXHGJN-IVMMDQJWSA-N 0 0 310.394 0.794 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375239199 159779690 /nfs/dbraw/zinc/77/96/90/159779690.db2.gz TULKDYIRPMYWFW-CYBMUJFWSA-N 0 0 307.325 0.307 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000375956447 159829798 /nfs/dbraw/zinc/82/97/98/159829798.db2.gz XABJRVHSBQPUHG-VTPLQMEGSA-N 0 0 309.410 0.798 10 0 DCAERN O=C([C@H]1CCCC12OCCO2)N1CCC[C@H](N2CCNC2=O)C1 ZINC000376613572 159867808 /nfs/dbraw/zinc/86/78/08/159867808.db2.gz YYJRKBBRDQPRLZ-QWHCGFSZSA-N 0 0 323.393 0.546 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCN(C3CC3)C(=O)C2)cnn1C ZINC000407966278 159998543 /nfs/dbraw/zinc/99/85/43/159998543.db2.gz AFCXXROKYQZALY-SNVBAGLBSA-N 0 0 305.382 0.806 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000407970582 160000244 /nfs/dbraw/zinc/00/02/44/160000244.db2.gz ZTPWTYDEGROAAC-CYBMUJFWSA-N 0 0 323.418 0.941 10 0 DCAERN O=C(CN1CCN(C(=O)C2CCC(=O)CC2)CC1)N1CCCC1 ZINC000407977191 160000526 /nfs/dbraw/zinc/00/05/26/160000526.db2.gz RIHIJYMOWMITBH-UHFFFAOYSA-N 0 0 321.421 0.512 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)C1 ZINC000407975808 160000683 /nfs/dbraw/zinc/00/06/83/160000683.db2.gz YANSYPZGDMLMRH-QWHCGFSZSA-N 0 0 318.439 0.732 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCCNC3=O)ccc21 ZINC000407980316 160001622 /nfs/dbraw/zinc/00/16/22/160001622.db2.gz IAAZSNRXXMZINF-CYBMUJFWSA-N 0 0 316.361 0.996 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000407979253 160001761 /nfs/dbraw/zinc/00/17/61/160001761.db2.gz UQHXUXJHUVDSPY-OCCSQVGLSA-N 0 0 312.410 0.801 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000407979071 160001838 /nfs/dbraw/zinc/00/18/38/160001838.db2.gz OLOMLELGCMRLBK-KGLIPLIRSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000407991644 160005636 /nfs/dbraw/zinc/00/56/36/160005636.db2.gz PNQHRMWTLVOCGU-JOYOIKCWSA-N 0 0 308.300 0.771 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000408008787 160009743 /nfs/dbraw/zinc/00/97/43/160009743.db2.gz GAIFQOJRURXEBB-YPMHNXCESA-N 0 0 312.435 0.919 10 0 DCAERN CC[C@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C[C@@H]1O ZINC000408017583 160011729 /nfs/dbraw/zinc/01/17/29/160011729.db2.gz NFNIGMQCSIMRRY-RYUDHWBXSA-N 0 0 303.366 0.513 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@@H]21 ZINC000408022621 160013481 /nfs/dbraw/zinc/01/34/81/160013481.db2.gz MFGASOPGGZFUNE-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN C[C@H](CCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)[S@@](C)=O ZINC000408023922 160014809 /nfs/dbraw/zinc/01/48/09/160014809.db2.gz WMGVBRUFXHSFFS-FTWIIGPWSA-N 0 0 317.455 0.258 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408030083 160016417 /nfs/dbraw/zinc/01/64/17/160016417.db2.gz JLTUQDRDSGBKJT-KOLCDFICSA-N 0 0 307.391 0.393 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CC(C)(C)O1 ZINC000408029835 160016518 /nfs/dbraw/zinc/01/65/18/160016518.db2.gz YZWLTYLLAYQNMU-VXGBXAGGSA-N 0 0 306.428 0.841 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CSCN2C(C)=O)CC(C)(C)O1 ZINC000408030915 160016992 /nfs/dbraw/zinc/01/69/92/160016992.db2.gz JGYDXTPOBBNMQV-NEPJUHHUSA-N 0 0 316.423 0.560 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000408030512 160017035 /nfs/dbraw/zinc/01/70/35/160017035.db2.gz ZOUVJQBKUOZWIJ-PWSUYJOCSA-N 0 0 319.427 0.277 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000408034193 160017609 /nfs/dbraw/zinc/01/76/09/160017609.db2.gz CQEJZFXANNTRLZ-KGLIPLIRSA-N 0 0 311.426 0.328 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)n1 ZINC000408035486 160018489 /nfs/dbraw/zinc/01/84/89/160018489.db2.gz MGMXRPUXHNQPMR-CYBMUJFWSA-N 0 0 318.381 0.707 10 0 DCAERN C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)N1CCOCC1 ZINC000408039193 160019633 /nfs/dbraw/zinc/01/96/33/160019633.db2.gz UTNCLALYTJVUGY-HABKJSAYSA-N 0 0 322.405 0.745 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000408046172 160022037 /nfs/dbraw/zinc/02/20/37/160022037.db2.gz AZQTYTNIQZNOGX-MRXNPFEDSA-N 0 0 320.393 0.209 10 0 DCAERN O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408047155 160023175 /nfs/dbraw/zinc/02/31/75/160023175.db2.gz OIVDKBFMYSZADU-XUXIUFHCSA-N 0 0 300.374 0.561 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)Cc2csc(C)n2)C1 ZINC000408047848 160023257 /nfs/dbraw/zinc/02/32/57/160023257.db2.gz JHMHJVCIEQBWNU-CQSZACIVSA-N 0 0 311.407 0.783 10 0 DCAERN O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1C[C@@H](F)C[C@H]1CO ZINC000408055001 160025226 /nfs/dbraw/zinc/02/52/26/160025226.db2.gz VWBDLTNCNTXELS-RYUDHWBXSA-N 0 0 309.341 0.796 10 0 DCAERN O=C(C[C@@H]1CCOC1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408055430 160025274 /nfs/dbraw/zinc/02/52/74/160025274.db2.gz YBYHOBIPKPMOAZ-XQQFMLRXSA-N 0 0 314.357 0.211 10 0 DCAERN CCn1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)nc1C ZINC000408058816 160025866 /nfs/dbraw/zinc/02/58/66/160025866.db2.gz MJMZKNLCWLDXNY-KOLCDFICSA-N 0 0 314.411 0.486 10 0 DCAERN COC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)CC(C)(C)O1 ZINC000408058159 160025960 /nfs/dbraw/zinc/02/59/60/160025960.db2.gz GTQUDWLKMQSKCH-JTQLQIEISA-N 0 0 307.412 0.462 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000408072030 160029197 /nfs/dbraw/zinc/02/91/97/160029197.db2.gz FEFNJCHQBOYSLM-BTFPBAQTSA-N 0 0 324.421 0.680 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408076807 160029988 /nfs/dbraw/zinc/02/99/88/160029988.db2.gz ODDOQGAGHPFLRF-LBPRGKRZSA-N 0 0 317.345 0.758 10 0 DCAERN O=C(NCCCO)C1CCN(C(=O)N2CCSCC2)CC1 ZINC000408075247 160030206 /nfs/dbraw/zinc/03/02/06/160030206.db2.gz YPDHQKHGXVFUIU-UHFFFAOYSA-N 0 0 315.439 0.366 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](O)C[C@@H]2C)c1 ZINC000408079043 160030804 /nfs/dbraw/zinc/03/08/04/160030804.db2.gz GKBUOWFRQWABHK-JQWIXIFHSA-N 0 0 312.391 0.580 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408079773 160031017 /nfs/dbraw/zinc/03/10/17/160031017.db2.gz OBRUEJXNVGUCMZ-JTNHKYCSSA-N 0 0 313.394 0.963 10 0 DCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000408078889 160031143 /nfs/dbraw/zinc/03/11/43/160031143.db2.gz KRNFULDWANIGGK-STQMWFEESA-N 0 0 311.378 0.841 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ncncc2Cl)C1 ZINC000408078978 160031166 /nfs/dbraw/zinc/03/11/66/160031166.db2.gz FFGOYWXHMPHNMG-MRVPVSSYSA-N 0 0 318.786 0.284 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000408078887 160031189 /nfs/dbraw/zinc/03/11/89/160031189.db2.gz KRNFULDWANIGGK-QWHCGFSZSA-N 0 0 311.378 0.841 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)CC1)c1nnc2ccccn21 ZINC000408083183 160032089 /nfs/dbraw/zinc/03/20/89/160032089.db2.gz IJZRJTTWWJGVIW-JTQLQIEISA-N 0 0 302.338 0.322 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)o1 ZINC000408089976 160033491 /nfs/dbraw/zinc/03/34/91/160033491.db2.gz PGXRANWMRQMDFO-WPRPVWTQSA-N 0 0 317.363 0.766 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1O ZINC000408091623 160033630 /nfs/dbraw/zinc/03/36/30/160033630.db2.gz VSFCTYPMFPYYKY-GXFFZTMASA-N 0 0 323.378 0.054 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)o1 ZINC000408099964 160035525 /nfs/dbraw/zinc/03/55/25/160035525.db2.gz ZRRCKYRVSSQGEF-GHMZBOCLSA-N 0 0 302.396 0.664 10 0 DCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408100066 160035743 /nfs/dbraw/zinc/03/57/43/160035743.db2.gz PHDGKSHXSXSBKQ-ONGXEEELSA-N 0 0 315.395 0.183 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCN2CCCCC2=O)C1 ZINC000408099807 160036021 /nfs/dbraw/zinc/03/60/21/160036021.db2.gz PUEFMHNSRVGXFO-CYBMUJFWSA-N 0 0 317.455 0.955 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000408106354 160037006 /nfs/dbraw/zinc/03/70/06/160037006.db2.gz XJBISJTZWMISCW-HOCLYGCPSA-N 0 0 322.409 0.215 10 0 DCAERN CCN1CCOC[C@H]1C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000408106350 160037088 /nfs/dbraw/zinc/03/70/88/160037088.db2.gz XJBISJTZWMISCW-GOEBONIOSA-N 0 0 322.409 0.215 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)c2cc3nc[nH]c3cc2F)CC1 ZINC000408107579 160037192 /nfs/dbraw/zinc/03/71/92/160037192.db2.gz OSUMDJQDEUDSHK-VIFPVBQESA-N 0 0 320.324 0.367 10 0 DCAERN CCN1CCOC[C@H]1C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408106070 160037279 /nfs/dbraw/zinc/03/72/79/160037279.db2.gz WXJFNTWVYCBNAW-BPCQOVAHSA-N 0 0 318.439 0.179 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@H]2C)C1 ZINC000408111628 160038239 /nfs/dbraw/zinc/03/82/39/160038239.db2.gz DLVQKXHSHIZYNZ-CHWSQXEVSA-N 0 0 317.455 0.211 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000408114020 160038881 /nfs/dbraw/zinc/03/88/81/160038881.db2.gz VJUAUZINOQAKNK-CYBMUJFWSA-N 0 0 317.455 0.355 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408114864 160039694 /nfs/dbraw/zinc/03/96/94/160039694.db2.gz GPDNCTSRKVJBIU-RYUDHWBXSA-N 0 0 304.412 0.343 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCOC2)C1 ZINC000408114867 160039733 /nfs/dbraw/zinc/03/97/33/160039733.db2.gz GPDNCTSRKVJBIU-VXGBXAGGSA-N 0 0 304.412 0.343 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCC[C@@](F)(CO)C1 ZINC000408122296 160042293 /nfs/dbraw/zinc/04/22/93/160042293.db2.gz VUDWFACPHXVVEM-HNNXBMFYSA-N 0 0 308.309 0.954 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1=O ZINC000408127165 160042641 /nfs/dbraw/zinc/04/26/41/160042641.db2.gz DGDWKCMPVYJSII-CQSZACIVSA-N 0 0 317.389 0.860 10 0 DCAERN CN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408127176 160042721 /nfs/dbraw/zinc/04/27/21/160042721.db2.gz DHVUFDUBUCKWES-OLZOCXBDSA-N 0 0 307.394 0.326 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000408131735 160044272 /nfs/dbraw/zinc/04/42/72/160044272.db2.gz HYPGROJTHARJOG-IUCAKERBSA-N 0 0 302.318 0.572 10 0 DCAERN COCC1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000408140230 160046272 /nfs/dbraw/zinc/04/62/72/160046272.db2.gz JCFVTJNWLOIZJR-ZDUSSCGKSA-N 0 0 310.394 0.510 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](C)[C@@H]3CO)nc2n1 ZINC000408142708 160046754 /nfs/dbraw/zinc/04/67/54/160046754.db2.gz XYVJPUPPWZZKQE-CABZTGNLSA-N 0 0 303.366 0.974 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)C1(C(=O)N(C)C)CC1)C2 ZINC000408148074 160047804 /nfs/dbraw/zinc/04/78/04/160047804.db2.gz KRAPOYHTMKXCCF-UHFFFAOYSA-N 0 0 305.382 0.612 10 0 DCAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC(=O)N(C)C1 ZINC000408148471 160048561 /nfs/dbraw/zinc/04/85/61/160048561.db2.gz GYJOAZAYHZMAJB-UHFFFAOYSA-N 0 0 304.350 0.960 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000408151188 160048678 /nfs/dbraw/zinc/04/86/78/160048678.db2.gz UAEXMDRYZWNDJE-MBNYWOFBSA-N 0 0 309.410 0.903 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2c(c1)nnn2C ZINC000408167305 160051167 /nfs/dbraw/zinc/05/11/67/160051167.db2.gz XGRMNPOLZNZXNW-BDAKNGLRSA-N 0 0 302.338 0.089 10 0 DCAERN Cc1nc2c(c(N3CCC[C@@H]3CS(N)(=O)=O)n1)CCCC2 ZINC000408175489 160052667 /nfs/dbraw/zinc/05/26/67/160052667.db2.gz ZQFOHLMOEPLJTQ-LLVKDONJSA-N 0 0 310.423 0.921 10 0 DCAERN CC(C)(CO)C(C)(C)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000408173224 160052939 /nfs/dbraw/zinc/05/29/39/160052939.db2.gz HQNGLCQONPGXIE-UHFFFAOYSA-N 0 0 320.455 0.571 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC000408182072 160054451 /nfs/dbraw/zinc/05/44/51/160054451.db2.gz HCWLVKLHWJCVTQ-NEPJUHHUSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183295 160054594 /nfs/dbraw/zinc/05/45/94/160054594.db2.gz PXJIXOCSJNZGMW-IJLUTSLNSA-N 0 0 319.427 0.277 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2c(F)cccc2C1 ZINC000408187668 160055253 /nfs/dbraw/zinc/05/52/53/160055253.db2.gz PKVHSTLOILFVII-UHFFFAOYSA-N 0 0 300.355 0.602 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000408186564 160055324 /nfs/dbraw/zinc/05/53/24/160055324.db2.gz VJCSBZSFTKZSLM-JTQLQIEISA-N 0 0 317.436 0.741 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000408186450 160055432 /nfs/dbraw/zinc/05/54/32/160055432.db2.gz HZVUCBBCFSASBN-WDEREUQCSA-N 0 0 302.396 0.238 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2nccs2)CC1 ZINC000408184790 160055474 /nfs/dbraw/zinc/05/54/74/160055474.db2.gz DWMWNRYYBHRIFW-UHFFFAOYSA-N 0 0 317.436 0.741 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2cccc(F)c2C1 ZINC000408189335 160056129 /nfs/dbraw/zinc/05/61/29/160056129.db2.gz WNSFIMRCCMFRDL-UHFFFAOYSA-N 0 0 300.355 0.602 10 0 DCAERN C[C@@H]1COc2ccccc2CN1C(=O)CS(=O)(=O)N(C)C ZINC000408187826 160056347 /nfs/dbraw/zinc/05/63/47/160056347.db2.gz QGNHEDRMKVWRFN-LLVKDONJSA-N 0 0 312.391 0.688 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(c3cnn(C)c3)CC2)CC(=O)N1 ZINC000408191005 160056586 /nfs/dbraw/zinc/05/65/86/160056586.db2.gz CBEUBFMEIMMCSU-QWHCGFSZSA-N 0 0 319.409 0.374 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N(C)CC2CC2)CC1 ZINC000408201538 160058308 /nfs/dbraw/zinc/05/83/08/160058308.db2.gz JFDYFGIOGCLQBZ-UHFFFAOYSA-N 0 0 303.428 0.373 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@H](n3cncn3)C2)CC(=O)N1 ZINC000408200373 160058358 /nfs/dbraw/zinc/05/83/58/160058358.db2.gz ABXIVBDUSNDBLG-XQQFMLRXSA-N 0 0 305.382 0.746 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000408201262 160058695 /nfs/dbraw/zinc/05/86/95/160058695.db2.gz HGGPLXLOISHHMU-HNNXBMFYSA-N 0 0 303.362 0.802 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3ncccc3F)CC2)CC(=O)N1 ZINC000408202175 160059022 /nfs/dbraw/zinc/05/90/22/160059022.db2.gz LMGSNWSHETWNCU-NEPJUHHUSA-N 0 0 320.368 0.784 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)CCC1=O ZINC000408204972 160059453 /nfs/dbraw/zinc/05/94/53/160059453.db2.gz INCRDCULBVSDIV-LBPRGKRZSA-N 0 0 324.425 0.507 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC(=O)N1 ZINC000408206246 160060160 /nfs/dbraw/zinc/06/01/60/160060160.db2.gz SYHBLBVSRTVOPW-FRRDWIJNSA-N 0 0 319.409 0.420 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000408211168 160060997 /nfs/dbraw/zinc/06/09/97/160060997.db2.gz MZQSNAQQULMWCA-ZYHUDNBSSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@@H]1CN(CC(=O)NC(=O)NC2CCCCC2)CC[S@]1=O ZINC000408212796 160061395 /nfs/dbraw/zinc/06/13/95/160061395.db2.gz ZPDSAIYZOIILRG-WSVYEEACSA-N 0 0 315.439 0.598 10 0 DCAERN O=C(Cc1ccon1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408216866 160062318 /nfs/dbraw/zinc/06/23/18/160062318.db2.gz JOZDGVJFDWYIKO-GFCCVEGCSA-N 0 0 309.391 0.784 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408218584 160062457 /nfs/dbraw/zinc/06/24/57/160062457.db2.gz SUPQBYXKZWBRKG-QWRGUYRKSA-N 0 0 311.382 0.733 10 0 DCAERN O=C(c1ccnc(C2CC2)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000408232159 160064612 /nfs/dbraw/zinc/06/46/12/160064612.db2.gz RRRPXKCLLVQHRQ-CYBMUJFWSA-N 0 0 302.378 0.901 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cn1 ZINC000408234527 160065523 /nfs/dbraw/zinc/06/55/23/160065523.db2.gz DIEGCQFHMDAEAE-GHMZBOCLSA-N 0 0 315.395 0.534 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000408237741 160067157 /nfs/dbraw/zinc/06/71/57/160067157.db2.gz RVSFBQRQULTNNX-MXWKQRLJSA-N 0 0 302.400 0.425 10 0 DCAERN CN(C)c1nc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc(=O)[nH]1 ZINC000408242361 160067690 /nfs/dbraw/zinc/06/76/90/160067690.db2.gz STEJNBDGSKMJNJ-GGZOMVNGSA-N 0 0 306.366 0.792 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000408242402 160067836 /nfs/dbraw/zinc/06/78/36/160067836.db2.gz UFODYJDJNMMJSO-NXEZZACHSA-N 0 0 317.411 0.902 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245507 160068253 /nfs/dbraw/zinc/06/82/53/160068253.db2.gz GNETXYGDNXXZBY-SUMWQHHRSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](O)C1(C)C ZINC000408246345 160068484 /nfs/dbraw/zinc/06/84/84/160068484.db2.gz JEVCVBWGGQUKBU-SCZZXKLOSA-N 0 0 311.411 0.860 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408245534 160068661 /nfs/dbraw/zinc/06/86/61/160068661.db2.gz GUUKSJLDVCJHEC-INIZCTEOSA-N 0 0 301.346 0.528 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408249100 160069475 /nfs/dbraw/zinc/06/94/75/160069475.db2.gz YRUMZEBFDCYJRA-IUCAKERBSA-N 0 0 305.318 0.740 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000408254684 160070429 /nfs/dbraw/zinc/07/04/29/160070429.db2.gz FJHRDSFPRPMCIK-MRXNPFEDSA-N 0 0 324.425 0.509 10 0 DCAERN CO[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)CC[C@@H]1C ZINC000408256861 160070654 /nfs/dbraw/zinc/07/06/54/160070654.db2.gz NFMXEBZCLHFUKO-RYUDHWBXSA-N 0 0 319.427 0.088 10 0 DCAERN CO[C@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CC[C@H]1C ZINC000408256767 160070867 /nfs/dbraw/zinc/07/08/67/160070867.db2.gz MWRQZMYAJCVTOP-OLZOCXBDSA-N 0 0 313.398 0.302 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CS(=O)(=O)NC ZINC000408273338 160073414 /nfs/dbraw/zinc/07/34/14/160073414.db2.gz BWNQBGNBJLTNLN-XQQFMLRXSA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cnn1 ZINC000408274467 160074358 /nfs/dbraw/zinc/07/43/58/160074358.db2.gz LFVMESFELURLHZ-VXGBXAGGSA-N 0 0 312.395 0.375 10 0 DCAERN COC1CCC(N(C)C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000408277021 160074452 /nfs/dbraw/zinc/07/44/52/160074452.db2.gz MRNVLZPVEGLAIX-UHFFFAOYSA-N 0 0 311.382 0.733 10 0 DCAERN O=C(CC(=O)N1CCO[C@@]2(CCOC2)C1)NCC(F)(F)F ZINC000408278280 160074858 /nfs/dbraw/zinc/07/48/58/160074858.db2.gz DOIXWDMEIVKVHO-NSHDSACASA-N 0 0 310.272 0.073 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000408287442 160076917 /nfs/dbraw/zinc/07/69/17/160076917.db2.gz RBTIXQVXSJZQLK-PWSUYJOCSA-N 0 0 305.382 0.718 10 0 DCAERN Cc1ccnc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000408292273 160077475 /nfs/dbraw/zinc/07/74/75/160077475.db2.gz RRTGTLANZVOMJJ-QWRGUYRKSA-N 0 0 312.395 0.375 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](O)C[C@@H]1C ZINC000408292997 160077671 /nfs/dbraw/zinc/07/76/71/160077671.db2.gz FIXBITIWMCYBBF-YUMQZZPRSA-N 0 0 304.393 0.299 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000408293930 160078263 /nfs/dbraw/zinc/07/82/63/160078263.db2.gz JGBUNGBANNUTIC-NWDGAFQWSA-N 0 0 303.362 0.913 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CCN(C(C)=O)C2)CC1 ZINC000408293511 160078268 /nfs/dbraw/zinc/07/82/68/160078268.db2.gz YVNOBFHWDFQXLZ-ZDUSSCGKSA-N 0 0 311.382 0.592 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)c2cn3ccnc3s2)C1 ZINC000408297013 160079291 /nfs/dbraw/zinc/07/92/91/160079291.db2.gz HJRNJPDNSSSZBT-QMMMGPOBSA-N 0 0 314.392 0.289 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000408307982 160081697 /nfs/dbraw/zinc/08/16/97/160081697.db2.gz GOJVZJPBVYGLTB-DZNAZQTOSA-N 0 0 320.480 0.886 10 0 DCAERN CCN(CC)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408320955 160083945 /nfs/dbraw/zinc/08/39/45/160083945.db2.gz NIUGQXNSWXQCJK-UHFFFAOYSA-N 0 0 312.457 0.330 10 0 DCAERN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324259 160085702 /nfs/dbraw/zinc/08/57/02/160085702.db2.gz JXINFHGKFICSKR-CQSZACIVSA-N 0 0 304.394 0.539 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000408328602 160086140 /nfs/dbraw/zinc/08/61/40/160086140.db2.gz BJHYINDWNODUHN-RHYQMDGZSA-N 0 0 305.396 0.218 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000408328601 160086154 /nfs/dbraw/zinc/08/61/54/160086154.db2.gz BJHYINDWNODUHN-NOOOWODRSA-N 0 0 305.396 0.218 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnn2)C[C@]2(CCCOC2)O1 ZINC000408348940 160089419 /nfs/dbraw/zinc/08/94/19/160089419.db2.gz LMIBBPVQYSPDOO-ZFWWWQNUSA-N 0 0 323.397 0.648 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCO[C@H](CO)C1 ZINC000408369324 160093819 /nfs/dbraw/zinc/09/38/19/160093819.db2.gz VOUYBFKZJKSVPO-AGIUHOORSA-N 0 0 313.398 0.084 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)N3CCO[C@@H](CO)C3)ccc21 ZINC000408379868 160095753 /nfs/dbraw/zinc/09/57/53/160095753.db2.gz QEHZQNUGKWPZOI-SNVBAGLBSA-N 0 0 307.306 0.357 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NC1CCOCC1 ZINC000408385383 160096554 /nfs/dbraw/zinc/09/65/54/160096554.db2.gz LNDHCPJKEITKHK-RYUDHWBXSA-N 0 0 319.427 0.325 10 0 DCAERN C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)CCN1C ZINC000408381996 160096805 /nfs/dbraw/zinc/09/68/05/160096805.db2.gz AZIGXJMVLBGHDB-BDAKNGLRSA-N 0 0 306.819 0.787 10 0 DCAERN O=C(c1cc2n(n1)CCCO2)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408390407 160098359 /nfs/dbraw/zinc/09/83/59/160098359.db2.gz VLZVLVSUDIZXGM-LLVKDONJSA-N 0 0 305.256 0.805 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@@H]1CCSC1 ZINC000408398647 160100286 /nfs/dbraw/zinc/10/02/86/160100286.db2.gz ZTDCEHCWUZHJMY-GHMZBOCLSA-N 0 0 308.407 0.608 10 0 DCAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1C[C@H](O)[C@@H](O)C1 ZINC000408400385 160101294 /nfs/dbraw/zinc/10/12/94/160101294.db2.gz ROAXFSNPGXCLNQ-KBPBESRZSA-N 0 0 319.361 0.492 10 0 DCAERN Cc1nc2cncc(N3CCN([C@H](C)C(=O)N(C)C)CC3)n2n1 ZINC000408403218 160101348 /nfs/dbraw/zinc/10/13/48/160101348.db2.gz UCVWFMUGSKDILL-LLVKDONJSA-N 0 0 317.397 0.031 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000408408471 160102694 /nfs/dbraw/zinc/10/26/94/160102694.db2.gz VXEMRUNHFDPQAM-NWDGAFQWSA-N 0 0 320.397 0.589 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CO1 ZINC000408420595 160104469 /nfs/dbraw/zinc/10/44/69/160104469.db2.gz YBZMQEYPWBYVSW-VWYCJHECSA-N 0 0 306.366 0.640 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@H](C)[C@H]3CO)nc2n1 ZINC000408424145 160105296 /nfs/dbraw/zinc/10/52/96/160105296.db2.gz BTYJNOQDFRGTAT-JOYOIKCWSA-N 0 0 303.366 0.513 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)CCN1C[C@H](C)O ZINC000408429015 160105672 /nfs/dbraw/zinc/10/56/72/160105672.db2.gz HVKIAUIYOQUDDI-GXTWGEPZSA-N 0 0 319.471 0.350 10 0 DCAERN CC(C)c1nnc(C(=O)N[C@H]2CCCS(=O)(=O)C2)s1 ZINC000408426288 160105785 /nfs/dbraw/zinc/10/57/85/160105785.db2.gz JKXGONPKRBJKDS-QMMMGPOBSA-N 0 0 303.409 0.969 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408433476 160106658 /nfs/dbraw/zinc/10/66/58/160106658.db2.gz BDHCUNFJELCHFM-GARJFASQSA-N 0 0 312.457 0.044 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000408433067 160107040 /nfs/dbraw/zinc/10/70/40/160107040.db2.gz KGRQTZMUGKKVMN-OLZOCXBDSA-N 0 0 305.444 0.104 10 0 DCAERN CN(C1CCN(C(=O)[C@@]2(C)CCCO2)CC1)S(C)(=O)=O ZINC000408441881 160108785 /nfs/dbraw/zinc/10/87/85/160108785.db2.gz HPAQXNGKYVLADX-CYBMUJFWSA-N 0 0 304.412 0.438 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)C1 ZINC000408443511 160109447 /nfs/dbraw/zinc/10/94/47/160109447.db2.gz OFQGXLHEWOJTIY-ZIAGYGMSSA-N 0 0 323.418 0.616 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCc2ccc(Cl)cc2C1 ZINC000408459073 160112436 /nfs/dbraw/zinc/11/24/36/160112436.db2.gz WSXQFPXOMGOFCB-UHFFFAOYSA-N 0 0 317.798 0.279 10 0 DCAERN COc1ccc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)nc1 ZINC000408467487 160114093 /nfs/dbraw/zinc/11/40/93/160114093.db2.gz OGWHPQVXXHIZRC-ZDUSSCGKSA-N 0 0 307.350 0.154 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000408470622 160115269 /nfs/dbraw/zinc/11/52/69/160115269.db2.gz UZTCFPYXMHLVJS-YWVKMMECSA-N 0 0 311.411 0.860 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000408470933 160115461 /nfs/dbraw/zinc/11/54/61/160115461.db2.gz RSJVCAYULKJHEE-IJLUTSLNSA-N 0 0 316.423 0.296 10 0 DCAERN C[C@]1(C(=O)[N-]S(=O)(=O)c2ccsc2)CCC(=O)NC1 ZINC000408476483 160116276 /nfs/dbraw/zinc/11/62/76/160116276.db2.gz AKCLBTCLVRNNSA-NSHDSACASA-N 0 0 302.377 0.469 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000067622909 286906794 /nfs/dbraw/zinc/90/67/94/286906794.db2.gz UKYZDLJTRIFMDF-OLZOCXBDSA-N 0 0 324.425 0.637 10 0 DCAERN CN(C)C(=O)C1CCN(CC(=O)N(C)CC(F)(F)F)CC1 ZINC000079852088 286925496 /nfs/dbraw/zinc/92/54/96/286925496.db2.gz IIHLHJKMOQZUDM-UHFFFAOYSA-N 0 0 309.332 0.807 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2c(C)onc2CC)C1 ZINC000091414290 286936033 /nfs/dbraw/zinc/93/60/33/286936033.db2.gz YNPXEBOMXGQRTO-UHFFFAOYSA-N 0 0 308.338 0.078 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000129294293 286987294 /nfs/dbraw/zinc/98/72/94/286987294.db2.gz QOOWGXJXFXTRTO-CYBMUJFWSA-N 0 0 320.455 0.284 10 0 DCAERN CC(C)c1noc(CCCNC(=O)c2cc(C(N)=O)cn2C)n1 ZINC000130101870 286992039 /nfs/dbraw/zinc/99/20/39/286992039.db2.gz YTKBULPMQVFVOX-UHFFFAOYSA-N 0 0 319.365 0.993 10 0 DCAERN Cc1ccccc1Cc1nnn(C[C@@H](O)CN2CCOCC2)n1 ZINC000193395632 287060857 /nfs/dbraw/zinc/06/08/57/287060857.db2.gz CJIAIMPXMRGWFN-HNNXBMFYSA-N 0 0 317.393 0.265 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000245854153 287073846 /nfs/dbraw/zinc/07/38/46/287073846.db2.gz BZBLKIRPQZAADD-SRVKXCTJSA-N 0 0 304.412 0.773 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245893150 287074135 /nfs/dbraw/zinc/07/41/35/287074135.db2.gz GXIYXTOMILLBAI-ILXRZTDVSA-N 0 0 323.437 0.757 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)O1 ZINC000245981152 287075011 /nfs/dbraw/zinc/07/50/11/287075011.db2.gz GYAOIBRZOXBSGY-WOPDTQHZSA-N 0 0 306.366 0.599 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246047222 287075671 /nfs/dbraw/zinc/07/56/71/287075671.db2.gz BXCYLWYYWZITDF-UMNHJUIQSA-N 0 0 316.427 0.733 10 0 DCAERN CCN(C1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1)S(C)(=O)=O ZINC000246041740 287075715 /nfs/dbraw/zinc/07/57/15/287075715.db2.gz OYHWKGFJYJEFSI-YPMHNXCESA-N 0 0 318.439 0.826 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246222346 287079694 /nfs/dbraw/zinc/07/96/94/287079694.db2.gz VDDQJDUKDKADFY-DMDPSCGWSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000246297497 287080739 /nfs/dbraw/zinc/08/07/39/287080739.db2.gz BRYLDUPQNFGQQS-IJLUTSLNSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000246287766 287080750 /nfs/dbraw/zinc/08/07/50/287080750.db2.gz VYQHGBZBEYQSOA-YIYPIFLZSA-N 0 0 319.471 0.612 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246196573 287078839 /nfs/dbraw/zinc/07/88/39/287078839.db2.gz LPKNDJVGVAPDOL-GMOODISLSA-N 0 0 310.300 0.735 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000246509308 287084429 /nfs/dbraw/zinc/08/44/29/287084429.db2.gz UBPFQWAFADNBAK-SCRDCRAPSA-N 0 0 309.410 0.761 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)CCN1CC(F)F ZINC000246350585 287081722 /nfs/dbraw/zinc/08/17/22/287081722.db2.gz FJTCWQWRZMVFJC-MNOVXSKESA-N 0 0 318.368 0.588 10 0 DCAERN COC(=O)C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246357904 287081796 /nfs/dbraw/zinc/08/17/96/287081796.db2.gz XUGISARHTVFUMD-NEPJUHHUSA-N 0 0 304.412 0.991 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000246963583 287089676 /nfs/dbraw/zinc/08/96/76/287089676.db2.gz ISGHLUOTGMKNFN-NEPJUHHUSA-N 0 0 323.368 0.678 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247019692 287090261 /nfs/dbraw/zinc/09/02/61/287090261.db2.gz JKGSLVNGXBAZCV-DTWKUNHWSA-N 0 0 303.409 0.589 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000247048943 287090411 /nfs/dbraw/zinc/09/04/11/287090411.db2.gz QOYXXARHIAAIPF-QJPTWQEYSA-N 0 0 300.424 0.965 10 0 DCAERN CC(C)c1noc([C@@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000247197720 287091834 /nfs/dbraw/zinc/09/18/34/287091834.db2.gz SUSSHCCBDPHECK-NXEZZACHSA-N 0 0 302.400 0.878 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C)CCN1C[C@H](C)O ZINC000248670792 287099563 /nfs/dbraw/zinc/09/95/63/287099563.db2.gz BDBBAQMWOOVEFH-MELADBBJSA-N 0 0 319.471 0.493 10 0 DCAERN COC(=O)CCN1CCN(C(=O)[C@@H]2CCOC[C@H]2C)[C@H](C)C1 ZINC000248880003 287102515 /nfs/dbraw/zinc/10/25/15/287102515.db2.gz RXVLYGBFVHOHDU-MGPQQGTHSA-N 0 0 312.410 0.755 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000248877091 287102665 /nfs/dbraw/zinc/10/26/65/287102665.db2.gz QZKPNAVJFJTMBD-AGIUHOORSA-N 0 0 320.393 0.704 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C[C@@H](C)O)[C@H](C)CO)c1ccccc1 ZINC000248992508 287104739 /nfs/dbraw/zinc/10/47/39/287104739.db2.gz XIGTUEJGBLRROE-XJKCOSOUSA-N 0 0 322.405 0.844 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](CO)C1)c1nnc2n1CCCC2 ZINC000248680894 287099801 /nfs/dbraw/zinc/09/98/01/287099801.db2.gz CZDSDSLIBFYFFB-UTUOFQBUSA-N 0 0 323.397 0.467 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCN1CCOC ZINC000248711301 287100049 /nfs/dbraw/zinc/10/00/49/287100049.db2.gz MVXHOXXBOABIOH-KGLIPLIRSA-N 0 0 319.471 0.758 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249582493 287115100 /nfs/dbraw/zinc/11/51/00/287115100.db2.gz RRMCQKPILMMHJE-TZMCWYRMSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000249426944 287110466 /nfs/dbraw/zinc/11/04/66/287110466.db2.gz HUZRAKOFRINEHP-XQQFMLRXSA-N 0 0 320.393 0.847 10 0 DCAERN CC[C@]1(CO)CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249454577 287111151 /nfs/dbraw/zinc/11/11/51/287111151.db2.gz NFBOAVVXTUGRPS-IHRRRGAJSA-N 0 0 320.455 0.825 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC000249856730 287118481 /nfs/dbraw/zinc/11/84/81/287118481.db2.gz QGZVXBZUNWWSGZ-WUHRBBMRSA-N 0 0 306.428 0.697 10 0 DCAERN CC[S@](=O)c1ccccc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249958360 287118702 /nfs/dbraw/zinc/11/87/02/287118702.db2.gz JJTXGDPCLXHXEQ-XMHCIUCPSA-N 0 0 324.446 0.953 10 0 DCAERN COC[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000251980518 287120393 /nfs/dbraw/zinc/12/03/93/287120393.db2.gz VJOVPYGTVYOZSG-IHRRRGAJSA-N 0 0 320.455 0.394 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000252692147 287120900 /nfs/dbraw/zinc/12/09/00/287120900.db2.gz RELBQPFYPLWPOL-NGZCFLSTSA-N 0 0 308.284 0.990 10 0 DCAERN Cc1nc(CN2CCN(c3cncc(C(N)=O)n3)CC2)cs1 ZINC000301606292 287141304 /nfs/dbraw/zinc/14/13/04/287141304.db2.gz YQUVVADMGRXEPU-UHFFFAOYSA-N 0 0 318.406 0.663 10 0 DCAERN CC(=O)c1ccc(NC(=O)NC[C@H](C)S(N)(=O)=O)cc1C ZINC000354954313 287170819 /nfs/dbraw/zinc/17/08/19/287170819.db2.gz NLIOTIADVYLRBP-VIFPVBQESA-N 0 0 313.379 0.996 10 0 DCAERN CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000356257626 287198288 /nfs/dbraw/zinc/19/82/88/287198288.db2.gz UCZKHXLSHBNDGY-LMOYCYGVSA-N 0 0 312.410 0.630 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](CC)OC ZINC000358125360 287206115 /nfs/dbraw/zinc/20/61/15/287206115.db2.gz ORFPXPMNQBYUES-GARJFASQSA-N 0 0 317.386 0.167 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCn2cccc2)C1 ZINC000358606534 287211843 /nfs/dbraw/zinc/21/18/43/287211843.db2.gz IRBJSAXQENWMTK-ZDUSSCGKSA-N 0 0 320.393 0.122 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC000363880015 287219484 /nfs/dbraw/zinc/21/94/84/287219484.db2.gz RNKALAMIUYBTTC-DOMZBBRYSA-N 0 0 310.398 0.165 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000250375917 685184728 /nfs/dbraw/zinc/18/47/28/685184728.db2.gz WIOLUGYFXLBSIQ-QWRGUYRKSA-N 0 0 301.412 0.682 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)C(C)C ZINC000129495734 196052944 /nfs/dbraw/zinc/05/29/44/196052944.db2.gz DDNSWEQPNBMICZ-JTQLQIEISA-N 0 0 317.415 0.434 10 0 DCAERN CCOC(=O)c1csc(CN2CCN(C)S2(=O)=O)n1 ZINC000381104372 685238864 /nfs/dbraw/zinc/23/88/64/685238864.db2.gz AULSJFOCTOXZHI-UHFFFAOYSA-N 0 0 305.381 0.312 10 0 DCAERN OCCO[C@H]1CCCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000265260180 415125494 /nfs/dbraw/zinc/12/54/94/415125494.db2.gz YFOWVUIBYSNGHV-KBPBESRZSA-N 0 0 322.409 0.415 10 0 DCAERN CN(CC(=O)Nc1ccccc1F)CC(=O)N1CCOCC1 ZINC000007607532 415141344 /nfs/dbraw/zinc/14/13/44/415141344.db2.gz AICGGXODVSWTPC-UHFFFAOYSA-N 0 0 309.341 0.555 10 0 DCAERN COCCOc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1 ZINC000038007186 415194004 /nfs/dbraw/zinc/19/40/04/415194004.db2.gz YOQGITDPDNORRB-UHFFFAOYSA-N 0 0 311.363 0.913 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)C1 ZINC000342653805 415243352 /nfs/dbraw/zinc/24/33/52/415243352.db2.gz CIFQJFQEYAZRIU-BFHYXJOUSA-N 0 0 309.410 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)CO1 ZINC000270954804 415258857 /nfs/dbraw/zinc/25/88/57/415258857.db2.gz YFDRSGPBUVNMMM-KGYLQXTDSA-N 0 0 317.345 0.573 10 0 DCAERN CN(C)C1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000272091840 415277670 /nfs/dbraw/zinc/27/76/70/415277670.db2.gz JKZYBYVFWCYYPE-UHFFFAOYSA-N 0 0 314.798 0.922 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)CCCn1ccnc1C ZINC000332347570 415354378 /nfs/dbraw/zinc/35/43/78/415354378.db2.gz URGIMHMZSQIDJE-CYBMUJFWSA-N 0 0 310.423 0.961 10 0 DCAERN Cn1cc(CNC(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000054807555 415327122 /nfs/dbraw/zinc/32/71/22/415327122.db2.gz WSDUFPUZHWHYMU-UHFFFAOYSA-N 0 0 301.350 0.649 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC)cc1 ZINC000070303050 415406976 /nfs/dbraw/zinc/40/69/76/415406976.db2.gz JAQPLIPEMMUPGL-VIFPVBQESA-N 0 0 315.347 0.242 10 0 DCAERN CCOCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC000343034134 415415611 /nfs/dbraw/zinc/41/56/11/415415611.db2.gz MIYRHWGLGOODFC-CYBMUJFWSA-N 0 0 319.409 0.565 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000352927471 415373349 /nfs/dbraw/zinc/37/33/49/415373349.db2.gz XSCOMHULXGMGRZ-XPUUQOCRSA-N 0 0 315.171 0.580 10 0 DCAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[S@@](=O)C1 ZINC000332706026 415447812 /nfs/dbraw/zinc/44/78/12/415447812.db2.gz HKFXZWMPBIHKBG-MRRFBWAASA-N 0 0 301.456 0.927 10 0 DCAERN C[C@@H](NC(=O)CNC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000075385509 415448610 /nfs/dbraw/zinc/44/86/10/415448610.db2.gz GGPBDRDBTLAQHK-SSDOTTSWSA-N 0 0 307.285 0.721 10 0 DCAERN Cc1noc(CCNC(=O)N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000332710169 415451593 /nfs/dbraw/zinc/45/15/93/415451593.db2.gz ALKVNGUXPOKIKE-NSHDSACASA-N 0 0 307.354 0.373 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NCC[C@@H]1CCCCO1 ZINC000332734577 415461464 /nfs/dbraw/zinc/46/14/64/415461464.db2.gz RMZAKPROGJJERK-NEPJUHHUSA-N 0 0 319.427 0.408 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000332752835 415463381 /nfs/dbraw/zinc/46/33/81/415463381.db2.gz GQVHGSQAEKPOLL-MELADBBJSA-N 0 0 324.425 0.112 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C1CCCC1 ZINC000332758749 415466104 /nfs/dbraw/zinc/46/61/04/415466104.db2.gz OKMMGKXGUMCBIF-XHSDSOJGSA-N 0 0 323.437 0.613 10 0 DCAERN COCCN(CC(F)F)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793275 415505381 /nfs/dbraw/zinc/50/53/81/415505381.db2.gz NYQSGDSDDBLPAA-NSHDSACASA-N 0 0 314.398 0.872 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)C[C@H]21 ZINC000332946449 415511068 /nfs/dbraw/zinc/51/10/68/415511068.db2.gz ZEKXTDKJLFAVEM-KGLIPLIRSA-N 0 0 319.409 0.444 10 0 DCAERN CC[C@H](C)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000088493547 415516181 /nfs/dbraw/zinc/51/61/81/415516181.db2.gz PEFIOKSEBSTSAD-ZDUSSCGKSA-N 0 0 305.444 0.227 10 0 DCAERN CCC(C)(CC)NS(=O)(=O)CCNS(=O)(=O)CC ZINC000088774001 415517298 /nfs/dbraw/zinc/51/72/98/415517298.db2.gz QALSPXBMBYBXRY-UHFFFAOYSA-N 0 0 300.446 0.424 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCC(=O)NCC(F)F)cc1 ZINC000280163699 415527426 /nfs/dbraw/zinc/52/74/26/415527426.db2.gz FGKJIYVIXLUIRD-UHFFFAOYSA-N 0 0 313.304 0.780 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000333003454 415527781 /nfs/dbraw/zinc/52/77/81/415527781.db2.gz IZLNHNCDVUSHAN-VXGBXAGGSA-N 0 0 312.395 0.244 10 0 DCAERN CCN1c2ccc(C)cc2[C@]2(NC(=O)[C@@H]3COCCN32)C1=O ZINC000093884566 415549298 /nfs/dbraw/zinc/54/92/98/415549298.db2.gz VRHFYTZJYPJEPE-XJKSGUPXSA-N 0 0 301.346 0.345 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CCC1=O ZINC000281645809 415561266 /nfs/dbraw/zinc/56/12/66/415561266.db2.gz QZZJEXXFJWLDIG-NSHDSACASA-N 0 0 301.346 0.778 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000333129983 415564700 /nfs/dbraw/zinc/56/47/00/415564700.db2.gz WOUUCCMYJDRFEK-FDYHWXHSSA-N 0 0 322.427 0.124 10 0 DCAERN COc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)ncn1 ZINC000285897348 415620806 /nfs/dbraw/zinc/62/08/06/415620806.db2.gz JNYWSVSETNEDNP-WDEREUQCSA-N 0 0 307.354 0.422 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)N1CCN(C2CC2)CC1 ZINC000105087154 415632576 /nfs/dbraw/zinc/63/25/76/415632576.db2.gz KBCVDWCUHLIBBE-UHFFFAOYSA-N 0 0 318.425 0.994 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N[C@H]2CCc3ccccc3C2)C1=O ZINC000333404714 415637677 /nfs/dbraw/zinc/63/76/77/415637677.db2.gz OOFQHLOUPCGAFH-KBPBESRZSA-N 0 0 315.373 0.991 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3cncc4ncnn43)CC2)O1 ZINC000333215496 415586088 /nfs/dbraw/zinc/58/60/88/415586088.db2.gz CKFSBFYSPYNFJX-NEPJUHHUSA-N 0 0 316.365 0.340 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CN(C)CCO1 ZINC000333273382 415597643 /nfs/dbraw/zinc/59/76/43/415597643.db2.gz NZTVBALKXNXGIT-RYUDHWBXSA-N 0 0 308.386 0.051 10 0 DCAERN O=C(NCC1(N2CCOCC2)CC1)N1CCc2cncnc2C1 ZINC000333454637 415655313 /nfs/dbraw/zinc/65/53/13/415655313.db2.gz OJFXADAKIWKVPX-UHFFFAOYSA-N 0 0 317.393 0.409 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccccc1C ZINC000106921359 415656959 /nfs/dbraw/zinc/65/69/59/415656959.db2.gz WAJXRPLENQMHBO-ZDUSSCGKSA-N 0 0 303.362 0.462 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237218 415659783 /nfs/dbraw/zinc/65/97/83/415659783.db2.gz PYNDSZQUMKXRHZ-ZDUSSCGKSA-N 0 0 302.334 0.797 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N[C@@H](C)C(C)C)CC1 ZINC000107727243 415672114 /nfs/dbraw/zinc/67/21/14/415672114.db2.gz ULMOOFOOKWCFEB-LBPRGKRZSA-N 0 0 312.414 0.411 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)C2CC2)C1 ZINC000333533372 415675214 /nfs/dbraw/zinc/67/52/14/415675214.db2.gz MPGKWUKOBFFYHM-AAEUAGOBSA-N 0 0 322.409 0.660 10 0 DCAERN C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000333542544 415678911 /nfs/dbraw/zinc/67/89/11/415678911.db2.gz JKKCHHLUDWFAND-NXEZZACHSA-N 0 0 322.331 0.543 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(N2CCNC2=O)C1 ZINC000333550716 415680778 /nfs/dbraw/zinc/68/07/78/415680778.db2.gz FPERISIQSVSARW-YPMHNXCESA-N 0 0 310.398 0.467 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)C1 ZINC000333611936 415695547 /nfs/dbraw/zinc/69/55/47/415695547.db2.gz FAELZLGZMULETP-STQMWFEESA-N 0 0 315.439 0.898 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)NC[C@@H](O)C2CC2)C1 ZINC000333722599 415724777 /nfs/dbraw/zinc/72/47/77/415724777.db2.gz ODYWHLIFNVDJHB-QWHCGFSZSA-N 0 0 307.398 0.459 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)N2CC[C@](C)(O)C2)C1 ZINC000333742796 415727387 /nfs/dbraw/zinc/72/73/87/415727387.db2.gz RPZSCZVYAXQIOM-WFASDCNBSA-N 0 0 307.398 0.555 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112030920 415701070 /nfs/dbraw/zinc/70/10/70/415701070.db2.gz QCZNAMQVOUYKMY-ZJUUUORDSA-N 0 0 321.299 0.277 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000111891280 415702011 /nfs/dbraw/zinc/70/20/11/415702011.db2.gz KDNUIPODEXPHIK-MCIONIFRSA-N 0 0 303.362 0.686 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112065262 415702570 /nfs/dbraw/zinc/70/25/70/415702570.db2.gz GXQVFWRXPJTYGT-AWEZNQCLSA-N 0 0 322.409 0.725 10 0 DCAERN O=C(NCCNc1cc(N2CCC[C@H]2CO)ncn1)C1CC1 ZINC000112077271 415706238 /nfs/dbraw/zinc/70/62/38/415706238.db2.gz DDLHZZKPIOZSMX-LBPRGKRZSA-N 0 0 305.382 0.376 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)C[C@H](C)O1 ZINC000119498381 415747840 /nfs/dbraw/zinc/74/78/40/415747840.db2.gz PPPIGSWKYWBKRN-CYDGBPFRSA-N 0 0 306.428 0.481 10 0 DCAERN CN(CC(=O)N1CCO[C@@H](c2ccsc2)C1)S(C)(=O)=O ZINC000120289723 415764151 /nfs/dbraw/zinc/76/41/51/415764151.db2.gz PQAVQJOIJOXVPX-LLVKDONJSA-N 0 0 318.420 0.539 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c(F)c1 ZINC000120482013 415769596 /nfs/dbraw/zinc/76/95/96/415769596.db2.gz CUKRUAALCVZDBE-JTQLQIEISA-N 0 0 307.325 0.810 10 0 DCAERN COc1ccsc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000120585950 415774063 /nfs/dbraw/zinc/77/40/63/415774063.db2.gz BUJQHMOJRRVRLY-QMMMGPOBSA-N 0 0 314.392 0.642 10 0 DCAERN COc1c(CN2CCO[C@@H](Cn3cccn3)C2)c(C)nn1C ZINC000122262087 415829555 /nfs/dbraw/zinc/82/95/55/415829555.db2.gz WHRMCQHYZKAWJC-CYBMUJFWSA-N 0 0 305.382 0.835 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(F)c2)CCS1(=O)=O ZINC000122360507 415833029 /nfs/dbraw/zinc/83/30/29/415833029.db2.gz KIIHGQIALVHVGH-VIFPVBQESA-N 0 0 314.338 0.410 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000121420328 415803265 /nfs/dbraw/zinc/80/32/65/415803265.db2.gz LJBSRSZIFDQJLD-CYBMUJFWSA-N 0 0 301.350 0.973 10 0 DCAERN Cc1cnn(CCNc2nc(C)c(S(N)(=O)=O)s2)c1 ZINC000336807080 415812791 /nfs/dbraw/zinc/81/27/91/415812791.db2.gz FUOHIMYXHOGATK-UHFFFAOYSA-N 0 0 301.397 0.716 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)N1CC(CO)C1)C(C)C ZINC000122177828 415826488 /nfs/dbraw/zinc/82/64/88/415826488.db2.gz SEXGVUHEQOPNLN-HNNXBMFYSA-N 0 0 320.389 0.900 10 0 DCAERN COCC(=O)N(C)CC(=O)N(C)CCc1ccccc1OC ZINC000130012435 415915941 /nfs/dbraw/zinc/91/59/41/415915941.db2.gz NVQZNRAIZJZYPZ-UHFFFAOYSA-N 0 0 308.378 0.801 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000130701006 415920468 /nfs/dbraw/zinc/92/04/68/415920468.db2.gz FCJQUDZUXBVHQC-VXGBXAGGSA-N 0 0 300.399 0.489 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c(=O)[nH]c1C ZINC000130884472 415922731 /nfs/dbraw/zinc/92/27/31/415922731.db2.gz YOIKAHCLEIKNLA-JOYOIKCWSA-N 0 0 320.393 0.906 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C)c1c(F)cncc1F ZINC000344152438 415852267 /nfs/dbraw/zinc/85/22/67/415852267.db2.gz LLNVCASUISLTTD-GMEUVTARSA-N 0 0 313.304 0.519 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000134331297 415956484 /nfs/dbraw/zinc/95/64/84/415956484.db2.gz WROHWMYSSSGYCU-STQMWFEESA-N 0 0 315.377 0.954 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000134272753 415956688 /nfs/dbraw/zinc/95/66/88/415956688.db2.gz KSYLRLDNKORFSD-CPCISQLKSA-N 0 0 302.327 0.380 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2cscn2)C[C@H](C)O1 ZINC000141611884 415962482 /nfs/dbraw/zinc/96/24/82/415962482.db2.gz JSOZPMJRYPBHOE-UWVGGRQHSA-N 0 0 305.425 0.929 10 0 DCAERN CN(CC(=O)NC(N)=O)Cc1cc(Br)cn1C ZINC000151560902 415966572 /nfs/dbraw/zinc/96/65/72/415966572.db2.gz ZQKPJKWQRJBFGI-UHFFFAOYSA-N 0 0 303.160 0.414 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000152747847 415969426 /nfs/dbraw/zinc/96/94/26/415969426.db2.gz XOZBLLMFKFTVRD-KBPBESRZSA-N 0 0 315.377 0.934 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1CC[C@H](N2CCOCC2)C1 ZINC000153558848 415982072 /nfs/dbraw/zinc/98/20/72/415982072.db2.gz DYWAXQLFOVHSPO-GJZGRUSLSA-N 0 0 305.378 0.702 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000153665770 415986642 /nfs/dbraw/zinc/98/66/42/415986642.db2.gz VYJXNJKKDTXEHG-VXGBXAGGSA-N 0 0 308.382 0.899 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1cccnc1-n1cccn1 ZINC000155226208 415994359 /nfs/dbraw/zinc/99/43/59/415994359.db2.gz AFBCUXUAQUSYSX-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000132423300 415933299 /nfs/dbraw/zinc/93/32/99/415933299.db2.gz GXYGVYIFFJNGEL-CYBMUJFWSA-N 0 0 320.418 0.652 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)Cn1cncn1 ZINC000299025424 416046039 /nfs/dbraw/zinc/04/60/39/416046039.db2.gz COBSWWJYOYIHTN-AAWHYMEISA-N 0 0 313.361 0.960 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000172979290 416051644 /nfs/dbraw/zinc/05/16/44/416051644.db2.gz WGHHFCDHYALZDE-ZIAGYGMSSA-N 0 0 319.471 0.614 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCc1nccn1C(F)F ZINC000357241803 416051845 /nfs/dbraw/zinc/05/18/45/416051845.db2.gz AAADZLSAHBIBBF-IUCAKERBSA-N 0 0 316.308 0.124 10 0 DCAERN Cn1cc(NC(=O)C(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000173086119 416052887 /nfs/dbraw/zinc/05/28/87/416052887.db2.gz VYWNTRYEBWGRGX-UHFFFAOYSA-N 0 0 321.720 0.559 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCNC(=O)CC2)cc(C)c1F ZINC000173113457 416053447 /nfs/dbraw/zinc/05/34/47/416053447.db2.gz GPVDGTRTWMDCGU-UHFFFAOYSA-N 0 0 300.355 0.953 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)CC2CCOCC2)C1 ZINC000173187934 416053876 /nfs/dbraw/zinc/05/38/76/416053876.db2.gz XOTFIWJIDLDNNR-RYUDHWBXSA-N 0 0 304.412 0.377 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000299135550 416055639 /nfs/dbraw/zinc/05/56/39/416055639.db2.gz WUSVJXNIQRKKQQ-GBIKHYSHSA-N 0 0 309.395 0.237 10 0 DCAERN CNC(=O)CNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173371453 416057766 /nfs/dbraw/zinc/05/77/66/416057766.db2.gz FALKRBSAJACTML-UHFFFAOYSA-N 0 0 305.382 0.404 10 0 DCAERN Nc1nc(N)nc(CN2CCC[C@@H]2C(=O)Nc2nccs2)n1 ZINC000173390694 416057807 /nfs/dbraw/zinc/05/78/07/416057807.db2.gz BXWACVKJWKWKJE-SSDOTTSWSA-N 0 0 320.382 0.096 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000173339393 416057868 /nfs/dbraw/zinc/05/78/68/416057868.db2.gz ZASFDAAHNFURQQ-DGCLKSJQSA-N 0 0 303.362 0.775 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)[nH]1 ZINC000173518951 416059763 /nfs/dbraw/zinc/05/97/63/416059763.db2.gz CVABQEGJXJTLBR-GFCCVEGCSA-N 0 0 323.397 0.565 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)no1 ZINC000173625382 416062268 /nfs/dbraw/zinc/06/22/68/416062268.db2.gz JICJTJIJYKHWQI-UHFFFAOYSA-N 0 0 310.260 0.702 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C ZINC000173787432 416066149 /nfs/dbraw/zinc/06/61/49/416066149.db2.gz IKPOCFSIJHIQCA-JSGCOSHPSA-N 0 0 321.425 0.906 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173893312 416066995 /nfs/dbraw/zinc/06/69/95/416066995.db2.gz HXQKHKOATCZUMG-KBPBESRZSA-N 0 0 324.425 0.112 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000174453773 416080332 /nfs/dbraw/zinc/08/03/32/416080332.db2.gz HLOHEBOQXHWRNG-OLZOCXBDSA-N 0 0 321.425 0.553 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H](O)Cc1ccccc1Cl ZINC000357372319 416069811 /nfs/dbraw/zinc/06/98/11/416069811.db2.gz XSDMHDOHJMBVDS-LLVKDONJSA-N 0 0 309.757 0.426 10 0 DCAERN NC(=O)Cn1cc(C(=O)N[C@H]2CCOc3ccccc32)nn1 ZINC000174175277 416074172 /nfs/dbraw/zinc/07/41/72/416074172.db2.gz BDGJAXBPCNLOTM-JTQLQIEISA-N 0 0 301.306 0.017 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000158858696 416002951 /nfs/dbraw/zinc/00/29/51/416002951.db2.gz VRCRNXTVRSVPGB-GFCCVEGCSA-N 0 0 301.364 0.768 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1OC ZINC000158815614 416003304 /nfs/dbraw/zinc/00/33/04/416003304.db2.gz CYWYECKMZVSMRV-VHSXEESVSA-N 0 0 303.380 0.999 10 0 DCAERN C[C@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)C[C@H]1C ZINC000301194120 416078564 /nfs/dbraw/zinc/07/85/64/416078564.db2.gz JHZMVIXDMBBPOU-ZJUUUORDSA-N 0 0 312.801 0.725 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000163780707 416017538 /nfs/dbraw/zinc/01/75/38/416017538.db2.gz WAICZNZAISYJQB-SNVBAGLBSA-N 0 0 309.366 0.676 10 0 DCAERN CCOCCS(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000170664780 416029325 /nfs/dbraw/zinc/02/93/25/416029325.db2.gz IXRNUSKFSGRACB-GFCCVEGCSA-N 0 0 314.411 0.401 10 0 DCAERN CCOCCOC[C@@H](O)CNC(=O)c1ccnc2ccncc21 ZINC000357153957 416038186 /nfs/dbraw/zinc/03/81/86/416038186.db2.gz CHAIKEZWCJEGPY-LBPRGKRZSA-N 0 0 319.361 0.774 10 0 DCAERN Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CN(C)NC1=O ZINC000357460093 416083864 /nfs/dbraw/zinc/08/38/64/416083864.db2.gz QDYIRQARKDBYHR-GFCCVEGCSA-N 0 0 301.350 0.196 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](Nc1cncc(C(N)=O)n1)CC2 ZINC000301502325 416084565 /nfs/dbraw/zinc/08/45/65/416084565.db2.gz GYQTUSPCMJELID-SECBINFHSA-N 0 0 301.354 0.717 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@H](C)C1 ZINC000357934411 416155364 /nfs/dbraw/zinc/15/53/64/416155364.db2.gz VQYLWRGRDRDLCL-SNVBAGLBSA-N 0 0 317.345 0.710 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000174812974 416087350 /nfs/dbraw/zinc/08/73/50/416087350.db2.gz WKKIBEUYSMNWOE-NSHDSACASA-N 0 0 307.325 0.526 10 0 DCAERN CC(=O)N(C)CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000338368088 416087569 /nfs/dbraw/zinc/08/75/69/416087569.db2.gz VCIRUGPDMLFQRA-LBPRGKRZSA-N 0 0 309.341 0.064 10 0 DCAERN Cc1ccc(-c2noc(-c3cn(CC(N)=O)nn3)n2)cc1F ZINC000174823420 416088678 /nfs/dbraw/zinc/08/86/78/416088678.db2.gz DVWAQXYFJJFSMH-UHFFFAOYSA-N 0 0 302.269 0.928 10 0 DCAERN NS(=O)(=O)c1cccnc1N1CC[C@@H](Oc2cccnc2)C1 ZINC000301650577 416088821 /nfs/dbraw/zinc/08/88/21/416088821.db2.gz GHUXJFJIFFWZOP-GFCCVEGCSA-N 0 0 320.374 0.782 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccon3)C2=O)n(C)n1 ZINC000174976720 416092243 /nfs/dbraw/zinc/09/22/43/416092243.db2.gz DIBBZSKHEGKAJB-LLVKDONJSA-N 0 0 303.322 0.642 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2=O)n(C)n1 ZINC000175018220 416094079 /nfs/dbraw/zinc/09/40/79/416094079.db2.gz BXCHPZYJDWBFHO-STQMWFEESA-N 0 0 320.393 0.767 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)c2ncncc2Cl)CC1 ZINC000175122782 416096684 /nfs/dbraw/zinc/09/66/84/416096684.db2.gz URIIPOQVJUYCJN-UHFFFAOYSA-N 0 0 318.786 0.238 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000175137463 416097817 /nfs/dbraw/zinc/09/78/17/416097817.db2.gz MQZLBESOFBEDIT-CYBMUJFWSA-N 0 0 306.428 0.148 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCC[C@](O)(CO)C2)cc1 ZINC000313630978 416106907 /nfs/dbraw/zinc/10/69/07/416106907.db2.gz PWHQOIRCSILKOT-MRXNPFEDSA-N 0 0 306.362 0.647 10 0 DCAERN CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000175726675 416112784 /nfs/dbraw/zinc/11/27/84/416112784.db2.gz JHPJDUMVWZPROJ-GXTWGEPZSA-N 0 0 309.414 0.705 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC000175925822 416115659 /nfs/dbraw/zinc/11/56/59/416115659.db2.gz RCURCKIXTDTSLI-JTQLQIEISA-N 0 0 302.400 0.093 10 0 DCAERN CSCCCCCNC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000357728483 416122514 /nfs/dbraw/zinc/12/25/14/416122514.db2.gz LAPIYJCFBZRLQS-NWDGAFQWSA-N 0 0 302.440 0.865 10 0 DCAERN Cn1cc([C@H]2[C@H](CNc3ncc(F)cn3)CC(=O)N2C)cn1 ZINC000328612740 416123661 /nfs/dbraw/zinc/12/36/61/416123661.db2.gz PPXNMJYJPADSIF-TVQRCGJNSA-N 0 0 304.329 0.981 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1c1nccc(N[C@H]2CCCOC2)n1 ZINC000328630591 416125895 /nfs/dbraw/zinc/12/58/95/416125895.db2.gz JOUQUFTWSYDVJB-QWHCGFSZSA-N 0 0 319.409 1.125 10 0 DCAERN CSc1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)o1 ZINC000176481436 416126837 /nfs/dbraw/zinc/12/68/37/416126837.db2.gz TWDSMCBDAYJBLY-AWEZNQCLSA-N 0 0 314.407 0.815 10 0 DCAERN O=C(NCCCc1nc(=O)[nH][nH]1)c1cccc(-n2cncn2)c1 ZINC000176760690 416134089 /nfs/dbraw/zinc/13/40/89/416134089.db2.gz DBOZMQKRCADABR-UHFFFAOYSA-N 0 0 313.321 0.041 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176993141 416137736 /nfs/dbraw/zinc/13/77/36/416137736.db2.gz SPHIDWJBGQSTFM-AVGNSLFASA-N 0 0 306.428 0.004 10 0 DCAERN CCc1cc(N2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)ncn1 ZINC000177161873 416141285 /nfs/dbraw/zinc/14/12/85/416141285.db2.gz LFGDIMQXFVTRSZ-LLVKDONJSA-N 0 0 317.393 0.260 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc3cc[nH]c3n2)O1 ZINC000357852563 416141792 /nfs/dbraw/zinc/14/17/92/416141792.db2.gz XBCFIKCAIZYSDY-NEPJUHHUSA-N 0 0 317.349 0.395 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000177234642 416142205 /nfs/dbraw/zinc/14/22/05/416142205.db2.gz DDJBNFJSXIXZJS-NEPJUHHUSA-N 0 0 323.359 0.660 10 0 DCAERN O=S(=O)(CCCOCCc1ccccc1)C[C@H](O)CO ZINC000177673430 416149982 /nfs/dbraw/zinc/14/99/82/416149982.db2.gz UAKZCVSOGPHFCW-CQSZACIVSA-N 0 0 302.392 0.404 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)no1 ZINC000177727891 416151911 /nfs/dbraw/zinc/15/19/11/416151911.db2.gz MXTGHXSUFWRRFW-YPMHNXCESA-N 0 0 301.302 0.696 10 0 DCAERN C[C@@H](CCO)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177849035 416153419 /nfs/dbraw/zinc/15/34/19/416153419.db2.gz RWNJDROQDSJFGA-VIFPVBQESA-N 0 0 304.306 0.562 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000178677845 416169211 /nfs/dbraw/zinc/16/92/11/416169211.db2.gz XCLNKEXKEWCMEB-STQMWFEESA-N 0 0 309.410 0.522 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178707594 416169335 /nfs/dbraw/zinc/16/93/35/416169335.db2.gz BROHLWSOZZHUQK-JSGCOSHPSA-N 0 0 312.391 0.042 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCCCOC1CCCC1 ZINC000357997216 416169889 /nfs/dbraw/zinc/16/98/89/416169889.db2.gz VFBUDFKHYFTPKW-OLZOCXBDSA-N 0 0 312.410 0.681 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000178730024 416171466 /nfs/dbraw/zinc/17/14/66/416171466.db2.gz KTTUIPAXXRNLLS-GFCCVEGCSA-N 0 0 312.391 0.591 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CCC(=O)NC1CCCC1 ZINC000182861733 416233230 /nfs/dbraw/zinc/23/32/30/416233230.db2.gz VIPOWIAFDWPGTJ-HNNXBMFYSA-N 0 0 300.399 0.729 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N1CCC(N2CCCNC2=O)CC1 ZINC000178809151 416173985 /nfs/dbraw/zinc/17/39/85/416173985.db2.gz KCOMTOQYOSMWGV-GFCCVEGCSA-N 0 0 310.398 0.755 10 0 DCAERN Cc1csc([C@@H]2COCCN2C(=O)[C@@H]2CCC(=O)N2C)n1 ZINC000329525305 416174548 /nfs/dbraw/zinc/17/45/48/416174548.db2.gz SNLYTJCEBZTUSC-QWRGUYRKSA-N 0 0 309.391 0.972 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1OC(F)F ZINC000179170042 416183359 /nfs/dbraw/zinc/18/33/59/416183359.db2.gz UTWZOPAOIBTLTR-ZJUUUORDSA-N 0 0 316.304 0.654 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 ZINC000179378492 416186307 /nfs/dbraw/zinc/18/63/07/416186307.db2.gz NLPOPZQJVLQEJT-UHFFFAOYSA-N 0 0 314.305 0.663 10 0 DCAERN COc1n[nH]c(NC(=O)CCc2nc(-c3ccccn3)no2)n1 ZINC000179372908 416187441 /nfs/dbraw/zinc/18/74/41/416187441.db2.gz YCZNKCMCJOSUIB-UHFFFAOYSA-N 0 0 315.293 0.830 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(Cc2nnc(C(C)C)n2C)C1 ZINC000179462166 416189231 /nfs/dbraw/zinc/18/92/31/416189231.db2.gz YPZWIOMVVACBCB-NSHDSACASA-N 0 0 315.443 0.452 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@@H]1CCCn2ncnc21 ZINC000183051360 416233739 /nfs/dbraw/zinc/23/37/39/416233739.db2.gz HGFPPQWKZKVWGU-GFCCVEGCSA-N 0 0 311.345 0.967 10 0 DCAERN CC[C@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)CCN1CC(F)F ZINC000179622264 416190299 /nfs/dbraw/zinc/19/02/99/416190299.db2.gz YVYSLQCYBKIRMU-QWRGUYRKSA-N 0 0 320.384 0.834 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000179561071 416191314 /nfs/dbraw/zinc/19/13/14/416191314.db2.gz JYWUZCIGSWYPFA-ZDUSSCGKSA-N 0 0 310.350 0.593 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3cccn32)CCS1(=O)=O ZINC000329845989 416192697 /nfs/dbraw/zinc/19/26/97/416192697.db2.gz MAJZKORHZAUJHM-ZYHUDNBSSA-N 0 0 310.375 0.651 10 0 DCAERN Cc1nnc([C@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)[nH]1 ZINC000180117737 416193618 /nfs/dbraw/zinc/19/36/18/416193618.db2.gz RLNYUUOMKPQUEQ-LLVKDONJSA-N 0 0 307.379 0.847 10 0 DCAERN CCN(CC)C(=O)C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180242808 416194086 /nfs/dbraw/zinc/19/40/86/416194086.db2.gz IPPTUMSWPKTUNM-IBGZPJMESA-N 0 0 304.441 0.721 10 0 DCAERN O=C(NCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1)C(F)(F)F ZINC000180688131 416199898 /nfs/dbraw/zinc/19/98/98/416199898.db2.gz WBNDCRXESAGXKI-LLVKDONJSA-N 0 0 309.332 0.462 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181342116 416206364 /nfs/dbraw/zinc/20/63/64/416206364.db2.gz LSYNRYLKPURXOV-AAEUAGOBSA-N 0 0 321.425 0.444 10 0 DCAERN C[C@H]([C@H](C)N(C)C(=O)NCCc1cn[nH]c1)S(C)(=O)=O ZINC000358182006 416207882 /nfs/dbraw/zinc/20/78/82/416207882.db2.gz DMHOKOOZLLYEHL-VHSXEESVSA-N 0 0 302.400 0.415 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)Cc2ccccc2O)cn1 ZINC000181442326 416207941 /nfs/dbraw/zinc/20/79/41/416207941.db2.gz JVHXBPLCGJNJOY-AWEZNQCLSA-N 0 0 300.362 0.841 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CCC[C@@H]1O)CC2 ZINC000181757720 416211567 /nfs/dbraw/zinc/21/15/67/416211567.db2.gz ANPPHSXNIJPFDH-WOPDTQHZSA-N 0 0 307.398 0.929 10 0 DCAERN Cc1nc(N)nc(C)c1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000358243490 416217594 /nfs/dbraw/zinc/21/75/94/416217594.db2.gz ZRNXYFSWQVMENX-MRXNPFEDSA-N 0 0 320.393 1.086 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)cnc21 ZINC000182823708 416230945 /nfs/dbraw/zinc/23/09/45/416230945.db2.gz YKZNTHDNOQXZEF-LLVKDONJSA-N 0 0 315.255 0.503 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC000357947851 416158584 /nfs/dbraw/zinc/15/85/84/416158584.db2.gz ZJTKKXFANRUBAF-TZMCWYRMSA-N 0 0 309.410 0.714 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178340580 416162271 /nfs/dbraw/zinc/16/22/71/416162271.db2.gz VQYRAJHFDSWFPQ-JSGCOSHPSA-N 0 0 315.304 0.934 10 0 DCAERN O=S(=O)(CC1CCCC1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000178344639 416162365 /nfs/dbraw/zinc/16/23/65/416162365.db2.gz VCSVCNUAGJZUBP-CQSZACIVSA-N 0 0 302.440 0.959 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178396274 416163122 /nfs/dbraw/zinc/16/31/22/416163122.db2.gz VVCXBYTYIFRPDY-NNQSOWQGSA-N 0 0 303.362 0.431 10 0 DCAERN COCCCNC(=O)CN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178521928 416164307 /nfs/dbraw/zinc/16/43/07/416164307.db2.gz HIYXXMHZFWCSNK-LBPRGKRZSA-N 0 0 300.399 0.803 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@]1(CO)CCOC1 ZINC000329326200 416164342 /nfs/dbraw/zinc/16/43/42/416164342.db2.gz WLYLCPFGVRZTAQ-IIAWOOMASA-N 0 0 312.410 0.240 10 0 DCAERN CC(C)[C@@H](CNC(=O)NC[C@@H](CO)C1CC1)N1CCOCC1 ZINC000358460923 416241741 /nfs/dbraw/zinc/24/17/41/416241741.db2.gz FEQGVBMLRUUXOP-LSDHHAIUSA-N 0 0 313.442 0.661 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(n3ccnn3)C2)cc1F ZINC000358465909 416241986 /nfs/dbraw/zinc/24/19/86/416241986.db2.gz WILNHUUDTWMMRK-UHFFFAOYSA-N 0 0 304.285 0.605 10 0 DCAERN O=C(CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)N1CCOCC1 ZINC000183471485 416242781 /nfs/dbraw/zinc/24/27/81/416242781.db2.gz IGZQWPWGZIZLMA-ZDUSSCGKSA-N 0 0 321.381 0.505 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)NC[C@H]3CN(C)CCO3)cc2)n1 ZINC000183521717 416243878 /nfs/dbraw/zinc/24/38/78/416243878.db2.gz XNQBLIKSEATBQJ-AWEZNQCLSA-N 0 0 315.377 0.543 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1 ZINC000187013830 416259353 /nfs/dbraw/zinc/25/93/53/416259353.db2.gz QJWCBPAZBZNWMO-JTQLQIEISA-N 0 0 321.381 0.928 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1nc(-c2ccoc2)no1 ZINC000189565022 416268874 /nfs/dbraw/zinc/26/88/74/416268874.db2.gz DFXCGVRBHLTARK-PWSUYJOCSA-N 0 0 307.306 0.828 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(CO)c2)CC1 ZINC000189703816 416269423 /nfs/dbraw/zinc/26/94/23/416269423.db2.gz MDWPYDUSOFUHOO-KBPBESRZSA-N 0 0 322.405 0.471 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000189955339 416274376 /nfs/dbraw/zinc/27/43/76/416274376.db2.gz MEILFOPLFHHSTL-IJLUTSLNSA-N 0 0 304.412 0.342 10 0 DCAERN Cn1cc(NC(=O)C(=O)NC[C@H]2CCC(C)(C)O2)ccc1=O ZINC000190122804 416276065 /nfs/dbraw/zinc/27/60/65/416276065.db2.gz YAIASVOYXBKGTG-LLVKDONJSA-N 0 0 307.350 0.398 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCNC(=O)C1CCC1 ZINC000190227772 416276231 /nfs/dbraw/zinc/27/62/31/416276231.db2.gz ZGZAMYMDCVIHIY-CMPLNLGQSA-N 0 0 304.412 0.390 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000358440235 416238481 /nfs/dbraw/zinc/23/84/81/416238481.db2.gz ITNFSJTYEGHOIH-VWYCJHECSA-N 0 0 304.337 0.767 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000358440231 416238581 /nfs/dbraw/zinc/23/85/81/416238581.db2.gz ITNFSJTYEGHOIH-GMTAPVOTSA-N 0 0 304.337 0.767 10 0 DCAERN CNS(=O)(=O)c1cccc(-c2nc(Cn3cncn3)no2)c1 ZINC000359076995 416306021 /nfs/dbraw/zinc/30/60/21/416306021.db2.gz QEZWPKRUWPXGLQ-UHFFFAOYSA-N 0 0 320.334 0.285 10 0 DCAERN Cc1cc(C)n2nc(S(=O)(=O)Cc3ccnc(C)n3)nc2n1 ZINC000359176421 416310173 /nfs/dbraw/zinc/31/01/73/416310173.db2.gz WYFPMKMWOFBMIQ-UHFFFAOYSA-N 0 0 318.362 0.813 10 0 DCAERN COCCC1(C)CN(C(=O)NCc2nnnn2CC2CC2)C1 ZINC000359197952 416310963 /nfs/dbraw/zinc/31/09/63/416310963.db2.gz OUVUDXGTCJEDAW-UHFFFAOYSA-N 0 0 308.386 0.651 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)sc1C ZINC000193162321 416312378 /nfs/dbraw/zinc/31/23/78/416312378.db2.gz UQLFDMWMRKDLRG-JTQLQIEISA-N 0 0 324.406 0.689 10 0 DCAERN CN(CC(=O)OC(C)(C)C)C1CCN(Cc2nnn(C)n2)CC1 ZINC000193493866 416317898 /nfs/dbraw/zinc/31/78/98/416317898.db2.gz OXERURNFIMMIOQ-UHFFFAOYSA-N 0 0 324.429 0.448 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CC(NC(C)=O)C2)C1 ZINC000190484596 416279095 /nfs/dbraw/zinc/27/90/95/416279095.db2.gz UJTSSXKWPPFTTI-AAEUAGOBSA-N 0 0 309.410 0.618 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](CO)[C@@H]2C)C12CCC2 ZINC000358837007 416281943 /nfs/dbraw/zinc/28/19/43/416281943.db2.gz XBJIAIVDDHUJTF-RFQIPJPRSA-N 0 0 324.421 0.680 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000358855430 416284869 /nfs/dbraw/zinc/28/48/69/416284869.db2.gz PPYRPVDJQXMVSO-DGAVXFQQSA-N 0 0 324.421 0.944 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358949043 416297106 /nfs/dbraw/zinc/29/71/06/416297106.db2.gz SQGAOIABNSLAEM-OAHLLOKOSA-N 0 0 319.405 0.906 10 0 DCAERN O=C(Nc1cnns1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000192089783 416298056 /nfs/dbraw/zinc/29/80/56/416298056.db2.gz XAQQUSGGAKQSQR-SECBINFHSA-N 0 0 306.351 0.954 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@@](C)(O)C1 ZINC000192045116 416298730 /nfs/dbraw/zinc/29/87/30/416298730.db2.gz IBCDXOVIMJOBBM-ZUZCIYMTSA-N 0 0 306.366 0.776 10 0 DCAERN COCCN(C)S(=O)(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000246848909 416332435 /nfs/dbraw/zinc/33/24/35/416332435.db2.gz KSPLZSOZBYTFBB-ZNMIVQPWSA-N 0 0 310.419 0.985 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000247242610 416332541 /nfs/dbraw/zinc/33/25/41/416332541.db2.gz XZSQLUQHTPRZSM-QWHCGFSZSA-N 0 0 324.402 0.352 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000263286127 416337590 /nfs/dbraw/zinc/33/75/90/416337590.db2.gz UZXMSVXSRCDKPG-ZDUSSCGKSA-N 0 0 317.380 0.554 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC23CCC3)cc1 ZINC000359444750 416346015 /nfs/dbraw/zinc/34/60/15/416346015.db2.gz WDELTCBOWRKCOA-UHFFFAOYSA-N 0 0 323.374 0.428 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H](C)CN2CCCC2=O)n1 ZINC000194641137 416323684 /nfs/dbraw/zinc/32/36/84/416323684.db2.gz NGXMGRWZEVVYJF-NSHDSACASA-N 0 0 306.366 0.900 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCNC(=O)CC2)c(C)c1 ZINC000195005894 416325065 /nfs/dbraw/zinc/32/50/65/416325065.db2.gz CZPDLXVHJYZELP-UHFFFAOYSA-N 0 0 312.391 0.904 10 0 DCAERN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCNC(=O)CC1 ZINC000194961277 416325228 /nfs/dbraw/zinc/32/52/28/416325228.db2.gz SYDIPZWSEMDQTD-LLVKDONJSA-N 0 0 305.309 0.600 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccn2)s1 ZINC000211828272 416327054 /nfs/dbraw/zinc/32/70/54/416327054.db2.gz HAVRJGFKGIRFJP-UHFFFAOYSA-N 0 0 304.374 0.623 10 0 DCAERN CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1=O ZINC000245482820 416331282 /nfs/dbraw/zinc/33/12/82/416331282.db2.gz ZNLFWIVKIZPYTN-HUUCEWRRSA-N 0 0 323.437 0.567 10 0 DCAERN COc1c(NC(=O)NCc2ccn(C)n2)cccc1C(N)=O ZINC000360370979 416387745 /nfs/dbraw/zinc/38/77/45/416387745.db2.gz GOHOKKRFZCYQEX-UHFFFAOYSA-N 0 0 303.322 0.849 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1=O)C(=O)NCc1ccco1 ZINC000360418217 416389467 /nfs/dbraw/zinc/38/94/67/416389467.db2.gz XPQNIGHGPZKWIM-CMPLNLGQSA-N 0 0 322.365 0.204 10 0 DCAERN COCCOc1cccc(CNC(=O)CN2CC(=O)N(C)C2)c1 ZINC000360490908 416392423 /nfs/dbraw/zinc/39/24/23/416392423.db2.gz PNXFFRZQXOWOOC-UHFFFAOYSA-N 0 0 321.377 0.060 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000360524159 416394365 /nfs/dbraw/zinc/39/43/65/416394365.db2.gz FXGIXVRFWVYNBT-SNVBAGLBSA-N 0 0 308.386 1.152 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000360738039 416407047 /nfs/dbraw/zinc/40/70/47/416407047.db2.gz KMBMOMPDGWXZJQ-TXEJJXNPSA-N 0 0 305.382 0.563 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000532845300 416461153 /nfs/dbraw/zinc/46/11/53/416461153.db2.gz QRZPHYOFOZOJOI-UHTWSYAYSA-N 0 0 320.397 0.699 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)Oc1ccccc1 ZINC000458406762 416461602 /nfs/dbraw/zinc/46/16/02/416461602.db2.gz WQQZGEPAVQXFAB-OLZOCXBDSA-N 0 0 319.365 0.406 10 0 DCAERN CCO[C@@H](CCNC(=O)NC[C@H](O)Cn1ccnn1)C(C)C ZINC000458526510 416476415 /nfs/dbraw/zinc/47/64/15/416476415.db2.gz XOPUNLAQWDDETH-STQMWFEESA-N 0 0 313.402 0.389 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CC1=O ZINC000583621039 416480698 /nfs/dbraw/zinc/48/06/98/416480698.db2.gz OWRVDDFLDDSDCE-NWDGAFQWSA-N 0 0 305.382 0.093 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NC(=O)COCC2CC2)CCC(=O)N1C ZINC000583621049 416480705 /nfs/dbraw/zinc/48/07/05/416480705.db2.gz QQQCJDMENDSUEH-MLGOLLRUSA-N 0 0 320.393 0.625 10 0 DCAERN CC(C)CSCCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458575992 416483949 /nfs/dbraw/zinc/48/39/49/416483949.db2.gz CKUNCUITRVIBAP-NSHDSACASA-N 0 0 301.416 0.327 10 0 DCAERN C[C@H](O)CCNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434603888 416485872 /nfs/dbraw/zinc/48/58/72/416485872.db2.gz CKLPRYXJPHEKET-JTQLQIEISA-N 0 0 309.366 1.332 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(F)F)c(C)c1 ZINC000435625441 416528352 /nfs/dbraw/zinc/52/83/52/416528352.db2.gz IGRVFGDOENAXLA-SECBINFHSA-N 0 0 323.317 0.686 10 0 DCAERN CNC(=O)NC(=O)CCN1CCO[C@H](COc2ccccc2)C1 ZINC000361987223 416540248 /nfs/dbraw/zinc/54/02/48/416540248.db2.gz SSUOGICHSZABGL-AWEZNQCLSA-N 0 0 321.377 0.612 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N=c1nc(-c2ccccc2)[nH]n1C ZINC000361995989 416541477 /nfs/dbraw/zinc/54/14/77/416541477.db2.gz JPMPESVSULJHNM-CYBMUJFWSA-N 0 0 313.361 0.853 10 0 DCAERN COC(=O)[C@](C)(NC[C@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000536605959 416545748 /nfs/dbraw/zinc/54/57/48/416545748.db2.gz VDSOXJQLJXQAQN-KCQAQPDRSA-N 0 0 301.383 0.474 10 0 DCAERN CCCc1cnc(NC(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000459490346 416548143 /nfs/dbraw/zinc/54/81/43/416548143.db2.gz VFYDPSGCVQEWQK-SECBINFHSA-N 0 0 310.383 0.870 10 0 DCAERN COC[C@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccc(F)cc1 ZINC000436433965 416559158 /nfs/dbraw/zinc/55/91/58/416559158.db2.gz DBWGPLWJQHKUMP-LBPRGKRZSA-N 0 0 320.324 1.002 10 0 DCAERN CO[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000361779183 416494696 /nfs/dbraw/zinc/49/46/96/416494696.db2.gz JPXBJTPDJHVSRJ-QWHCGFSZSA-N 0 0 311.382 0.197 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2ccc3c(c2)COC3)C1 ZINC000534260692 416495278 /nfs/dbraw/zinc/49/52/78/416495278.db2.gz LQJLVAIAWDCFRJ-ZDUSSCGKSA-N 0 0 304.350 0.669 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000534264964 416496076 /nfs/dbraw/zinc/49/60/76/416496076.db2.gz ACQYSZOYFLEYOQ-NWDGAFQWSA-N 0 0 316.361 0.309 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NC[C@@H](O)C3CC3)no2)CCCC1 ZINC000434813435 416497278 /nfs/dbraw/zinc/49/72/78/416497278.db2.gz KBOZSWBTOIUCRH-LLVKDONJSA-N 0 0 321.377 1.332 10 0 DCAERN CN(C)S(=O)(=O)CCC[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000584064773 416497651 /nfs/dbraw/zinc/49/76/51/416497651.db2.gz MVGYVSRGWIYTQJ-UHFFFAOYSA-N 0 0 306.428 0.987 10 0 DCAERN CC(C)O[C@@H]1C[C@H](NC(=O)N(C)Cc2nnnn2C)C1(C)C ZINC000361821492 416502661 /nfs/dbraw/zinc/50/26/61/416502661.db2.gz RSGWVRZOPWHAIT-WDEREUQCSA-N 0 0 310.402 0.944 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)sc2C1 ZINC000434992912 416506347 /nfs/dbraw/zinc/50/63/47/416506347.db2.gz WDTKDGKVNJLHLJ-JGVFFNPUSA-N 0 0 322.390 0.211 10 0 DCAERN CO[C@@H]1COCC[C@H]1CNC(=O)N1CCSC[C@@H]1CCO ZINC000458964079 416514857 /nfs/dbraw/zinc/51/48/57/416514857.db2.gz FIYSNKYLXHQXKZ-RWMBFGLXSA-N 0 0 318.439 0.547 10 0 DCAERN COc1ccc(OCC(=O)NCCn2cnccc2=O)cc1 ZINC000585238121 416519752 /nfs/dbraw/zinc/51/97/52/416519752.db2.gz MILNHDCEKGMMTD-UHFFFAOYSA-N 0 0 303.318 0.447 10 0 DCAERN C[C@@H](CNC(=O)NCCc1ccccc1O)S(C)(=O)=O ZINC000540967101 416600705 /nfs/dbraw/zinc/60/07/05/416600705.db2.gz PWRDYMKPNOEEAZ-JTQLQIEISA-N 0 0 300.380 0.667 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@H]2CCCCS2(=O)=O)n1 ZINC000541312926 416607390 /nfs/dbraw/zinc/60/73/90/416607390.db2.gz OPTSBUBAPFCUCN-LLVKDONJSA-N 0 0 300.384 0.187 10 0 DCAERN c1nc(N2CCCC2)ncc1CN1CCN2CCOC[C@@H]2C1 ZINC000541761820 416611667 /nfs/dbraw/zinc/61/16/67/416611667.db2.gz BWEZBNLURCRHPV-HNNXBMFYSA-N 0 0 303.410 0.593 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)cc1O ZINC000436717551 416567679 /nfs/dbraw/zinc/56/76/79/416567679.db2.gz HKXBKSZGZJTTPS-RKDXNWHRSA-N 0 0 324.333 0.284 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2cccc(=O)[nH]2)c1 ZINC000538596317 416570647 /nfs/dbraw/zinc/57/06/47/416570647.db2.gz KMXFGEMYPGXTRI-UHFFFAOYSA-N 0 0 321.358 0.625 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(O)c(C)c1 ZINC000436821585 416572367 /nfs/dbraw/zinc/57/23/67/416572367.db2.gz LSSYMGMKYMKNDN-QWRGUYRKSA-N 0 0 322.361 0.887 10 0 DCAERN CCCCn1ncc(NC(=O)C(=O)NC[C@@H](O)C(F)F)c1C ZINC000437070375 416578801 /nfs/dbraw/zinc/57/88/01/416578801.db2.gz WNTCNQZYWQLAHP-SNVBAGLBSA-N 0 0 318.324 0.672 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)N(C)Cc2cnccn2)n1 ZINC000547689357 416680954 /nfs/dbraw/zinc/68/09/54/416680954.db2.gz ONCYOTACPCEWOU-NSHDSACASA-N 0 0 304.354 1.544 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OCC ZINC000440089163 416624934 /nfs/dbraw/zinc/62/49/34/416624934.db2.gz CUBXBYOEBDLEAB-BZCKNUJPSA-N 0 0 321.395 0.613 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000367675066 416650123 /nfs/dbraw/zinc/65/01/23/416650123.db2.gz OYLQDSCGLZMASL-OFTGVCEQSA-N 0 0 309.362 0.986 10 0 DCAERN COCCN(C(C)=O)c1nc(CN(C)CCCO)cs1 ZINC000440954754 416654958 /nfs/dbraw/zinc/65/49/58/416654958.db2.gz WWCCAHCRMDSBCE-UHFFFAOYSA-N 0 0 301.412 0.957 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC(=O)N1C ZINC000368521609 416665862 /nfs/dbraw/zinc/66/58/62/416665862.db2.gz HEKLVUJKSYMAPA-OLZOCXBDSA-N 0 0 317.393 0.532 10 0 DCAERN CCc1nc(C(C)(C)NCC(=O)N[C@@H](C)C(=O)N(C)C)no1 ZINC000441235817 416666032 /nfs/dbraw/zinc/66/60/32/416666032.db2.gz TYBYIYHKWGXEDJ-VIFPVBQESA-N 0 0 311.386 0.050 10 0 DCAERN COc1cccc(CN[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000368540416 416667090 /nfs/dbraw/zinc/66/70/90/416667090.db2.gz VQWAMIZCAFEDBZ-AWEZNQCLSA-N 0 0 305.378 0.960 10 0 DCAERN CCCNC(=O)CN(CCC)C(=O)N[C@H]1CCCN(C)C1=O ZINC000441402729 416671593 /nfs/dbraw/zinc/67/15/93/416671593.db2.gz JPEHENQWUKQYMS-LBPRGKRZSA-N 0 0 312.414 0.555 10 0 DCAERN O=C(CCS(=O)(=O)C1CCCC1)N1CC(n2ccnn2)C1 ZINC000368599804 416672909 /nfs/dbraw/zinc/67/29/09/416672909.db2.gz DFEHLDDVHLZLLO-UHFFFAOYSA-N 0 0 312.395 0.409 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCN(C(C)C)C2=O)n1 ZINC000441489583 416673865 /nfs/dbraw/zinc/67/38/65/416673865.db2.gz TYRDOPHRJCOUGK-ZDUSSCGKSA-N 0 0 320.393 0.941 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)on1 ZINC000557946839 416755041 /nfs/dbraw/zinc/75/50/41/416755041.db2.gz OTIWNKQGLDJKAW-OLZOCXBDSA-N 0 0 324.381 0.461 10 0 DCAERN CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCCO)c1C ZINC000443264639 416745837 /nfs/dbraw/zinc/74/58/37/416745837.db2.gz PCRDAHGOIWDTLO-UHFFFAOYSA-N 0 0 307.350 0.733 10 0 DCAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCCO ZINC000443327281 416749343 /nfs/dbraw/zinc/74/93/43/416749343.db2.gz MOUHLFVRLFOCRA-UHFFFAOYSA-N 0 0 321.377 0.476 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000443328458 416750919 /nfs/dbraw/zinc/75/09/19/416750919.db2.gz FXTOKGFJINPZIR-UHFFFAOYSA-N 0 0 319.361 0.358 10 0 DCAERN COC(=O)c1ccc(NC2CCN(C(C)=O)CC2)nc1OC ZINC000548152385 416685665 /nfs/dbraw/zinc/68/56/65/416685665.db2.gz WFJIFNNXIPXWLO-UHFFFAOYSA-N 0 0 307.350 1.300 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCc2nncn2CC)no1 ZINC000442369855 416693036 /nfs/dbraw/zinc/69/30/36/416693036.db2.gz LZRLKXTVYCFLAR-UHFFFAOYSA-N 0 0 307.358 0.978 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000369030130 416716006 /nfs/dbraw/zinc/71/60/06/416716006.db2.gz UWDSJLAJIMKUKB-SDDRHHMPSA-N 0 0 302.371 0.631 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)c2cnn(C)c2N)(C(=O)OC)C1(C)C ZINC000614902817 416721938 /nfs/dbraw/zinc/72/19/38/416721938.db2.gz AHDWHYRPZNIZEC-MEBBXXQBSA-N 0 0 324.381 0.479 10 0 DCAERN CN(CCCO)C(=O)CNC(=O)c1ccccc1OC(F)F ZINC000443003100 416725253 /nfs/dbraw/zinc/72/52/53/416725253.db2.gz QJRQRHMPHQNMKQ-UHFFFAOYSA-N 0 0 316.304 0.859 10 0 DCAERN CN(C)C(=O)c1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1 ZINC000443055087 416729638 /nfs/dbraw/zinc/72/96/38/416729638.db2.gz YDYGVTLSEZOAHQ-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N(CCO)Cc1cccnc1 ZINC000369199232 416731734 /nfs/dbraw/zinc/73/17/34/416731734.db2.gz UHRCSRBTSJUFKO-AWEZNQCLSA-N 0 0 305.378 0.709 10 0 DCAERN O=C(c1ncccc1O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000516985449 416767328 /nfs/dbraw/zinc/76/73/28/416767328.db2.gz GMBOHJRVMBTVCL-MNOVXSKESA-N 0 0 323.324 0.199 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCC2(C3CC3)CC2)cn1C ZINC000443727130 416779162 /nfs/dbraw/zinc/77/91/62/416779162.db2.gz WCORFASVDNVHNA-UHFFFAOYSA-N 0 0 311.407 0.853 10 0 DCAERN Cc1noc(CN2CCN(c3nnc(C4CC4)n3C)CC2)n1 ZINC000558664571 416784474 /nfs/dbraw/zinc/78/44/74/416784474.db2.gz MDBSSJCCGLVFGH-UHFFFAOYSA-N 0 0 303.370 0.706 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CC1 ZINC000615632681 416873846 /nfs/dbraw/zinc/87/38/46/416873846.db2.gz VKPFOZYPGHNGJJ-XWIASGKRSA-N 0 0 309.366 0.248 10 0 DCAERN CCn1nccc1C=Cc1nc(-c2cn(C)c(=O)[nH]c2=O)no1 ZINC000445433415 416892014 /nfs/dbraw/zinc/89/20/14/416892014.db2.gz CVBGGAZBAZVKAC-PLNGDYQASA-N 0 0 314.305 0.923 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632201700 416958358 /nfs/dbraw/zinc/95/83/58/416958358.db2.gz WUIMCASZPICUIQ-MRVPVSSYSA-N 0 0 306.365 0.217 10 0 DCAERN COC(=O)[C@@H](NCc1ccc(S(N)(=O)=O)cc1C)C1CC1 ZINC000447043242 416959456 /nfs/dbraw/zinc/95/94/56/416959456.db2.gz YDJZHNVNWCYSSO-ZDUSSCGKSA-N 0 0 312.391 0.684 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000373635493 416960925 /nfs/dbraw/zinc/96/09/25/416960925.db2.gz BVFUYHKPAHMEKQ-AXFHLTTASA-N 0 0 311.382 0.779 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H](O)Cc1cnn(C)c1)CC2 ZINC000615763882 416903764 /nfs/dbraw/zinc/90/37/64/416903764.db2.gz WQSXOBQFBHHKLZ-QWHCGFSZSA-N 0 0 321.377 0.125 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)[C@H](C)C1 ZINC000632106611 416908462 /nfs/dbraw/zinc/90/84/62/416908462.db2.gz KKRNAJUTPPQNEZ-MWLCHTKSSA-N 0 0 310.366 0.914 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(c2ncns2)CC1)C(C)C ZINC000615811120 416916753 /nfs/dbraw/zinc/91/67/53/416916753.db2.gz NPZLDXKFOSQMOV-NSHDSACASA-N 0 0 311.411 0.347 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)Cn2cncn2)n1 ZINC000615854490 416922899 /nfs/dbraw/zinc/92/28/99/416922899.db2.gz SIKFVGKDCIFHTG-UHFFFAOYSA-N 0 0 309.351 0.270 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NCc2nnc3ccccn32)c1 ZINC000446478750 416929327 /nfs/dbraw/zinc/92/93/27/416929327.db2.gz YIXBYQMCWVAEBV-UHFFFAOYSA-N 0 0 324.344 0.996 10 0 DCAERN Cn1cc([C@H](NC(=O)N[C@@H]2CNC(=O)C2)C(F)(F)F)cn1 ZINC000446473850 416930539 /nfs/dbraw/zinc/93/05/39/416930539.db2.gz OSOJJSUFKQREGI-CBAPKCEASA-N 0 0 305.260 0.211 10 0 DCAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000372970146 416949219 /nfs/dbraw/zinc/94/92/19/416949219.db2.gz QSRGUXZLHNCWRA-DGAVXFQQSA-N 0 0 312.410 0.630 10 0 DCAERN OC[C@H]1C[C@H](O)CN1c1nccc(N2Cc3ccccc3C2)n1 ZINC000624070007 416950073 /nfs/dbraw/zinc/95/00/73/416950073.db2.gz BSBWYXNLHXOZJT-CABCVRRESA-N 0 0 312.373 0.929 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1oc(CC2CC2)nc1C ZINC000616170212 416978734 /nfs/dbraw/zinc/97/87/34/416978734.db2.gz YAWBVJCPFCJOOL-MNOVXSKESA-N 0 0 308.334 0.684 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN[C@@H](c3ccncc3)C2)C1 ZINC000374380004 416980365 /nfs/dbraw/zinc/98/03/65/416980365.db2.gz YYVIEVOXPIZTET-HZPDHXFCSA-N 0 0 316.405 0.813 10 0 DCAERN CC(=O)CCCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374755126 416990554 /nfs/dbraw/zinc/99/05/54/416990554.db2.gz ZRVFHOPUEFSKBC-UHFFFAOYSA-N 0 0 316.423 0.772 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3nncs3)[C@H]2C1 ZINC000566583717 417052531 /nfs/dbraw/zinc/05/25/31/417052531.db2.gz CDHKMOUNFWCBLR-GARJFASQSA-N 0 0 309.395 1.307 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1CN(S(N)(=O)=O)CCO1 ZINC000616644314 417087862 /nfs/dbraw/zinc/08/78/62/417087862.db2.gz VWRKDEZGMZAFRS-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616665131 417090261 /nfs/dbraw/zinc/09/02/61/417090261.db2.gz NPFSBYAIRKBRHP-SNVBAGLBSA-N 0 0 308.400 0.562 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1cc2ccccc2nn1 ZINC000616653343 417091332 /nfs/dbraw/zinc/09/13/32/417091332.db2.gz STQDHMQCLOAWBA-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 ZINC000404209950 417117457 /nfs/dbraw/zinc/11/74/57/417117457.db2.gz UBOMEIMJVFLVCV-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN CN1C(=O)c2ccccc2[C@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000637461562 417120421 /nfs/dbraw/zinc/12/04/21/417120421.db2.gz PTIYXEUTIHUAKG-CYBMUJFWSA-N 0 0 316.361 0.345 10 0 DCAERN CC(C)N1C(=O)N[C@@H]2CN(Cc3nnnn3C(C)(C)C)CC[C@@H]21 ZINC000408043635 417135373 /nfs/dbraw/zinc/13/53/73/417135373.db2.gz XWJGLGSIRAGPPN-NEPJUHHUSA-N 0 0 321.429 0.805 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc[nH]c1=O ZINC000624922380 417138505 /nfs/dbraw/zinc/13/85/05/417138505.db2.gz XNZSBBDKRJUHPZ-UHFFFAOYSA-N 0 0 322.365 0.535 10 0 DCAERN Nc1nccc([C@H]2CCCN(S(=O)(=O)CC(F)(F)F)C2)n1 ZINC000408114457 417141008 /nfs/dbraw/zinc/14/10/08/417141008.db2.gz FQVNBMXKGIYXCI-QMMMGPOBSA-N 0 0 324.328 1.130 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC(=O)N1 ZINC000408204741 417145133 /nfs/dbraw/zinc/14/51/33/417145133.db2.gz OQZYUJWRTPXNSV-YGOYTEALSA-N 0 0 308.300 0.817 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(N)noc1C ZINC000408203644 417147193 /nfs/dbraw/zinc/14/71/93/417147193.db2.gz DUZMUHIWMRLHQN-QMMMGPOBSA-N 0 0 303.340 0.281 10 0 DCAERN CS(=O)(=O)CC1(CNS(=O)(=O)NC2CCCC2)CC1 ZINC000408206166 417149619 /nfs/dbraw/zinc/14/96/19/417149619.db2.gz MYBKXZJAPWORAP-UHFFFAOYSA-N 0 0 310.441 0.178 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)N2CCCSCC2)CC1 ZINC000408338820 417156799 /nfs/dbraw/zinc/15/67/99/417156799.db2.gz ISFUHSAEXDADQZ-UHFFFAOYSA-N 0 0 306.453 0.960 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1OC ZINC000408366231 417156806 /nfs/dbraw/zinc/15/68/06/417156806.db2.gz WDQFHLQWGOVYFD-OXIWPEFWSA-N 0 0 314.407 0.313 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CO)c(C)s1 ZINC000632577016 417175039 /nfs/dbraw/zinc/17/50/39/417175039.db2.gz IRQXIARPWUTPJT-NSHDSACASA-N 0 0 304.437 0.662 10 0 DCAERN CC1(C)CN(C(=O)COC[C@@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000526036945 417178511 /nfs/dbraw/zinc/17/85/11/417178511.db2.gz YLUXCZDWUXNKDD-BBRMVZONSA-N 0 0 313.394 0.979 10 0 DCAERN C/C=C/C[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)OCC ZINC000450908894 417283768 /nfs/dbraw/zinc/28/37/68/417283768.db2.gz IBNMYCCMEQMIEI-TZNOJPMFSA-N 0 0 303.380 0.578 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC(C2N=NC(=O)O2)CC1 ZINC000632880060 417286209 /nfs/dbraw/zinc/28/62/09/417286209.db2.gz JKRKWKJKNCZRIE-LLVKDONJSA-N 0 0 308.338 0.492 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncnc3nc[nH]c32)CC12COC2 ZINC000450554781 417239722 /nfs/dbraw/zinc/23/97/22/417239722.db2.gz FKGBPOISMUWQQU-SECBINFHSA-N 0 0 303.322 0.369 10 0 DCAERN Cn1nnnc1SCCC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000527499556 417245398 /nfs/dbraw/zinc/24/53/98/417245398.db2.gz KKDRFIIQWJSUBJ-VIFPVBQESA-N 0 0 323.382 0.906 10 0 DCAERN Cc1csc(S(=O)(=O)N2CCN(CCCO)CC2)c1 ZINC000451380291 417339630 /nfs/dbraw/zinc/33/96/30/417339630.db2.gz VZHUXVDDTPOSIG-UHFFFAOYSA-N 0 0 304.437 0.745 10 0 DCAERN CCOC(=O)CN(C1CCC1)S(=O)(=O)C1(COC)CC1 ZINC000451414584 417344849 /nfs/dbraw/zinc/34/48/49/417344849.db2.gz SRYPNCDXVZVUKZ-UHFFFAOYSA-N 0 0 305.396 0.913 10 0 DCAERN Cn1nnnc1CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451662669 417374105 /nfs/dbraw/zinc/37/41/05/417374105.db2.gz LJLGNNZFGPBLMJ-UHFFFAOYSA-N 0 0 302.338 0.027 10 0 DCAERN O=C(N[C@H]1C[C@@H](CO)C1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000633833942 417491927 /nfs/dbraw/zinc/49/19/27/417491927.db2.gz SUQCXCGBDMLFCR-VLEAKVRGSA-N 0 0 311.300 0.858 10 0 DCAERN Cc1noc(COC2CN(C(=O)C[C@@H]3CCCC(=O)N3)C2)n1 ZINC000644204251 417495895 /nfs/dbraw/zinc/49/58/95/417495895.db2.gz KXIWXCAZTTVDNC-JTQLQIEISA-N 0 0 308.338 0.164 10 0 DCAERN CN(C)C(=O)NCCN(C)c1nccc(N[C@@H]2CCCOC2)n1 ZINC000572493458 417460455 /nfs/dbraw/zinc/46/04/55/417460455.db2.gz JCMQZNKSTFXDBM-GFCCVEGCSA-N 0 0 322.413 0.775 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cnn(C)c2)CC12COC2 ZINC000452264070 417462680 /nfs/dbraw/zinc/46/26/80/417462680.db2.gz NSNCGDRTWOXKEN-LBPRGKRZSA-N 0 0 307.350 0.001 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCOC2)CC12COC2 ZINC000452256118 417462705 /nfs/dbraw/zinc/46/27/05/417462705.db2.gz HEENQZBEFPFTNG-CHWSQXEVSA-N 0 0 311.378 0.841 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H](CC)O2)CC12COC2 ZINC000452266470 417463898 /nfs/dbraw/zinc/46/38/98/417463898.db2.gz SMDSRVNKSVQLKK-RWMBFGLXSA-N 0 0 311.378 0.982 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@H](CO)[C@@H]2CCOC2)n1 ZINC000573159482 417467702 /nfs/dbraw/zinc/46/77/02/417467702.db2.gz TZZYQVYMCOOFSK-GHMZBOCLSA-N 0 0 311.386 0.800 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCn2c(nnc2C(C)(C)C)C1 ZINC000633654809 417473200 /nfs/dbraw/zinc/47/32/00/417473200.db2.gz AWTOPCZQUVFTKV-LBPRGKRZSA-N 0 0 319.409 0.929 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000633684991 417479426 /nfs/dbraw/zinc/47/94/26/417479426.db2.gz DDUHTGPCQAURHK-KGLIPLIRSA-N 0 0 301.346 0.677 10 0 DCAERN COc1cccc2c1[C@@H](C(=O)N1C[C@@H](CO)[C@H](CO)C1)CC2 ZINC000529687791 417485274 /nfs/dbraw/zinc/48/52/74/417485274.db2.gz GIDRFEUNDAWLTL-IHRRRGAJSA-N 0 0 305.374 0.784 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C(C)C ZINC000530067072 417538579 /nfs/dbraw/zinc/53/85/79/417538579.db2.gz GAPWFMAZBVPNAU-UOZDFWDJSA-N 0 0 300.424 0.659 10 0 DCAERN O=C([C@H](O)C1CCOCC1)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530075322 417538746 /nfs/dbraw/zinc/53/87/46/417538746.db2.gz HSLLLFQQYHPEBH-TZMCWYRMSA-N 0 0 307.350 0.633 10 0 DCAERN CCOCCNC(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000454305948 417554032 /nfs/dbraw/zinc/55/40/32/417554032.db2.gz BLFCUHFXBZZEHU-LLVKDONJSA-N 0 0 300.355 0.244 10 0 DCAERN CCc1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)s1 ZINC000575826931 417555481 /nfs/dbraw/zinc/55/54/81/417555481.db2.gz OMABGXYYXVXYQJ-ZDUSSCGKSA-N 0 0 308.363 0.520 10 0 DCAERN CC(=O)c1ccc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)o1 ZINC000633880079 417507153 /nfs/dbraw/zinc/50/71/53/417507153.db2.gz CVFZLNVZYJABPE-GJZGRUSLSA-N 0 0 304.302 0.607 10 0 DCAERN Cc1ncc(NC(=O)C(C)(C)N2CCOCC2)cc1C(N)=O ZINC000634115338 417515234 /nfs/dbraw/zinc/51/52/34/417515234.db2.gz CXESVKHCDZEFCY-UHFFFAOYSA-N 0 0 306.366 0.538 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)Nc1nc(C3CC3)c[nH]1)N(C)C2 ZINC000644461194 417586013 /nfs/dbraw/zinc/58/60/13/417586013.db2.gz GFDWPFKMBGGSHB-LLVKDONJSA-N 0 0 301.354 0.640 10 0 DCAERN C[C@H](CNC(=O)CCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000530294014 417563130 /nfs/dbraw/zinc/56/31/30/417563130.db2.gz LBODHENQYYUWKK-GFCCVEGCSA-N 0 0 323.393 0.433 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCn2ccnc2)CC12COC2 ZINC000454620491 417571623 /nfs/dbraw/zinc/57/16/23/417571623.db2.gz OPWZIEXSTRIAKC-GFCCVEGCSA-N 0 0 322.365 0.104 10 0 DCAERN CCC[C@@H](CNC(=O)N[C@H]1CCN(C(=O)NCC)C1)OC ZINC000454673486 417575773 /nfs/dbraw/zinc/57/57/73/417575773.db2.gz JGUTUCOWUZDRAJ-RYUDHWBXSA-N 0 0 300.403 0.905 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C)C1 ZINC000454679249 417576112 /nfs/dbraw/zinc/57/61/12/417576112.db2.gz OANGMMHMQKLKLR-CYBMUJFWSA-N 0 0 305.382 0.993 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCSC[C@H]1CCO ZINC000531587362 417629347 /nfs/dbraw/zinc/62/93/47/417629347.db2.gz XPPUDMHVSNTXEH-CYBMUJFWSA-N 0 0 312.439 0.178 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000531821129 417641607 /nfs/dbraw/zinc/64/16/07/417641607.db2.gz PWEZPJNHPALUFB-UHFFFAOYSA-N 0 0 311.349 0.727 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628782092 417693336 /nfs/dbraw/zinc/69/33/36/417693336.db2.gz HQJKJEMNDAZLPX-RBSFLKMASA-N 0 0 315.373 0.340 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000532066114 417654928 /nfs/dbraw/zinc/65/49/28/417654928.db2.gz BCWPQHGLMSKTTF-UHFFFAOYSA-N 0 0 304.310 0.280 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC[C@H]2CCCO2)[C@H](C)C1 ZINC000532168456 417663967 /nfs/dbraw/zinc/66/39/67/417663967.db2.gz RZMDAAYOVZQQOL-VHDGCEQUSA-N 0 0 300.399 0.096 10 0 DCAERN COc1cc(F)cc(C[C@@H](C)NC(=O)CN2CCOCC2=O)c1 ZINC000457065342 417681978 /nfs/dbraw/zinc/68/19/78/417681978.db2.gz GQWPXAWVVMBPBK-LLVKDONJSA-N 0 0 324.352 0.740 10 0 DCAERN Cn1cc(Br)cc1C(=O)N[C@H]1COCCC1=O ZINC000628868956 417706950 /nfs/dbraw/zinc/70/69/50/417706950.db2.gz DRMGRRDYQMWLCS-QMMMGPOBSA-N 0 0 301.140 0.875 10 0 DCAERN CC[C@H](OC1CCCCC1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458130879 417723054 /nfs/dbraw/zinc/72/30/54/417723054.db2.gz GAYCLRDWUJCYGD-JSGCOSHPSA-N 0 0 310.398 0.883 10 0 DCAERN C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458133508 417723613 /nfs/dbraw/zinc/72/36/13/417723613.db2.gz IGGCZUAHIFLCFU-WCQYABFASA-N 0 0 306.341 0.773 10 0 DCAERN Cc1ccc2c(c1)CC[C@H](C(=O)NC[C@@H](O)Cn1ccnn1)O2 ZINC000458127057 417723619 /nfs/dbraw/zinc/72/36/19/417723619.db2.gz CTMGKMUMAYPCJE-UKRRQHHQSA-N 0 0 316.361 0.457 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)c1ccccc1OCC1CC1 ZINC000458141761 417724598 /nfs/dbraw/zinc/72/45/98/417724598.db2.gz ONOOOOUAISWYBM-ZDUSSCGKSA-N 0 0 316.361 0.858 10 0 DCAERN C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458144056 417724877 /nfs/dbraw/zinc/72/48/77/417724877.db2.gz PTMNGLXAYWWXFQ-JQWIXIFHSA-N 0 0 308.313 0.362 10 0 DCAERN O=C(Cc1ccc(Cl)c(F)c1)NC[C@@H](O)Cn1ccnn1 ZINC000458138054 417725326 /nfs/dbraw/zinc/72/53/26/417725326.db2.gz MBVPRZUHFQEAJG-SNVBAGLBSA-N 0 0 312.732 0.790 10 0 DCAERN CC(C)(C(=O)NC[C@H](O)Cn1ccnn1)c1cccc(F)c1 ZINC000458138688 417725756 /nfs/dbraw/zinc/72/57/56/417725756.db2.gz MHGPFNBTZOLBCD-ZDUSSCGKSA-N 0 0 306.341 0.872 10 0 DCAERN CC[C@@H](C)Oc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccn1 ZINC000458139636 417726165 /nfs/dbraw/zinc/72/61/65/417726165.db2.gz MUJLNENGCGBYDG-DGCLKSJQSA-N 0 0 319.365 0.641 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CC[S@@](=O)C1 ZINC000333477223 296926359 /nfs/dbraw/zinc/92/63/59/296926359.db2.gz RTPLFFCKCSZSNS-ZQJOYCHOSA-N 0 0 322.386 0.858 10 0 DCAERN COCc1nc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)cs1 ZINC000657605922 417881946 /nfs/dbraw/zinc/88/19/46/417881946.db2.gz VKCFPQHTLLUZSU-UWVGGRQHSA-N 0 0 306.409 0.191 10 0 DCAERN CCO[C@@H]1C[C@](O)(CNC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451110054 287456214 /nfs/dbraw/zinc/45/62/14/287456214.db2.gz BUEGNLDLUWBFAW-CJNGLKHVSA-N 0 0 309.410 0.953 10 0 DCAERN COc1nc(N[C@@H](C)[C@H](C)OC)nc(N[C@@H](C)[C@H](C)OC)n1 ZINC000467008231 287515055 /nfs/dbraw/zinc/51/50/55/287515055.db2.gz WXODZHUBZKRQGG-NAKRPEOUSA-N 0 0 313.402 0.395 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ncoc1CC ZINC000488149940 287546742 /nfs/dbraw/zinc/54/67/42/287546742.db2.gz MLNNXOQCYKMZFH-BDAKNGLRSA-N 0 0 311.338 0.423 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCc3ccccc3C2)CCO1 ZINC000299568454 229217832 /nfs/dbraw/zinc/21/78/32/229217832.db2.gz NVZAWQKZRSFZFN-KBPBESRZSA-N 0 0 303.362 0.440 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3occc3C)CC[C@@H]21 ZINC000299744019 229382563 /nfs/dbraw/zinc/38/25/63/229382563.db2.gz NIGYOXHTFHWOFO-NEPJUHHUSA-N 0 0 307.350 0.843 10 0 DCAERN Cc1nc(CN2CCC([C@@H](O)C(N)=O)CC2)nc2ccccc12 ZINC000299753561 229399127 /nfs/dbraw/zinc/39/91/27/229399127.db2.gz YPULVMUJZDPZMJ-MRXNPFEDSA-N 0 0 314.389 0.996 10 0 DCAERN NC(=O)c1cncc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000301975667 230014126 /nfs/dbraw/zinc/01/41/26/230014126.db2.gz LRQZHCPNXCXYRK-GWCFXTLKSA-N 0 0 315.377 0.555 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCC(=O)NCC1CC1)c1ccccc1 ZINC000183487143 261116307 /nfs/dbraw/zinc/11/63/07/261116307.db2.gz NUNGUTNGSASJQJ-HNNXBMFYSA-N 0 0 317.389 0.896 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186170840 261121058 /nfs/dbraw/zinc/12/10/58/261121058.db2.gz GJTBMADXIBORDR-LBPRGKRZSA-N 0 0 307.398 0.452 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@@H](CO)O1 ZINC000189202834 261130533 /nfs/dbraw/zinc/13/05/33/261130533.db2.gz VUGYXSGSUZQDFS-MFKMUULPSA-N 0 0 312.341 0.609 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000189778353 261133435 /nfs/dbraw/zinc/13/34/35/261133435.db2.gz YOKWKPZAIMGRLO-WDMOLILDSA-N 0 0 324.425 0.759 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2ccc(C)cc2)C1 ZINC000190064736 261133554 /nfs/dbraw/zinc/13/35/54/261133554.db2.gz HWAQKPWNYFHGEF-UHFFFAOYSA-N 0 0 318.377 0.255 10 0 DCAERN CCC[C@H](C(=O)OCC)N1CCCN(CCOC)C(=O)C1 ZINC000190787730 261135336 /nfs/dbraw/zinc/13/53/36/261135336.db2.gz SXAOZBJHNMRHQL-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000191459874 261137649 /nfs/dbraw/zinc/13/76/49/261137649.db2.gz LFBVJJHAKXEXKM-SNVBAGLBSA-N 0 0 309.439 0.565 10 0 DCAERN Cc1nc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)sc1C ZINC000193002557 261140654 /nfs/dbraw/zinc/14/06/54/261140654.db2.gz CKVVHSWXZYCECW-ZJUUUORDSA-N 0 0 324.406 0.859 10 0 DCAERN CC(C)NC(=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000193568609 261143220 /nfs/dbraw/zinc/14/32/20/261143220.db2.gz FKXVEONWTZDIOF-UHFFFAOYSA-N 0 0 304.350 0.361 10 0 DCAERN O=C(NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CNC(=O)C1 ZINC000194802103 261148511 /nfs/dbraw/zinc/14/85/11/261148511.db2.gz FYYBLESVUYLTNE-AWEZNQCLSA-N 0 0 315.373 0.561 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)C[C@H](C)O1 ZINC000221248498 261152335 /nfs/dbraw/zinc/15/23/35/261152335.db2.gz YNSWNQJQRZFOAM-RYUDHWBXSA-N 0 0 308.444 0.729 10 0 DCAERN CC(=O)N[C@H](C(=O)NC[C@]1(CCO)CCOC1)C1CCCC1 ZINC000356014906 261383019 /nfs/dbraw/zinc/38/30/19/261383019.db2.gz CPBNZWFUZXUSOW-HOCLYGCPSA-N 0 0 312.410 0.587 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CCCO)C1 ZINC000357880163 261596276 /nfs/dbraw/zinc/59/62/76/261596276.db2.gz OJNJBHFWNNBHRR-NWDGAFQWSA-N 0 0 300.399 0.585 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)[C@@H](C)C1 ZINC000357926554 261602350 /nfs/dbraw/zinc/60/23/50/261602350.db2.gz IQWVABRPQZZDBA-VIFPVBQESA-N 0 0 320.374 0.449 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N2CC[C@H](CO)[C@H]2C)c1 ZINC000358063563 261624359 /nfs/dbraw/zinc/62/43/59/261624359.db2.gz NRZZDARNVGXLHI-DGCLKSJQSA-N 0 0 305.378 0.490 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000358296652 261656743 /nfs/dbraw/zinc/65/67/43/261656743.db2.gz CGZZVMCYXLFUBU-VHSXEESVSA-N 0 0 308.300 0.532 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)NC[C@@H](CO)C1CC1 ZINC000358483610 261673758 /nfs/dbraw/zinc/67/37/58/261673758.db2.gz XDUUBUHEFXAOQG-KBPBESRZSA-N 0 0 300.399 0.890 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)[C@@H]1COCCN1CC(F)(F)F ZINC000359778797 261767190 /nfs/dbraw/zinc/76/71/90/261767190.db2.gz RIPBOKWPQVNHBE-MNOVXSKESA-N 0 0 310.316 0.384 10 0 DCAERN O=C(NCCCOC[C@H]1CCOC1)c1cccc2ncnn21 ZINC000359838245 261774209 /nfs/dbraw/zinc/77/42/09/261774209.db2.gz VKQUZBKKECCBER-GFCCVEGCSA-N 0 0 304.350 0.902 10 0 DCAERN O=C(CN1CSCC1=O)NC1(C(F)(F)F)CCOCC1 ZINC000359884333 261778638 /nfs/dbraw/zinc/77/86/38/261778638.db2.gz SEDNVXTXYYIGIC-UHFFFAOYSA-N 0 0 312.313 0.747 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@](C)(OC)C1CC1 ZINC000360464117 261834463 /nfs/dbraw/zinc/83/44/63/261834463.db2.gz BJQXWWLRSISZJP-YHAQOWFVSA-N 0 0 314.382 0.374 10 0 DCAERN CC[C@H](CSC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000360766650 261873304 /nfs/dbraw/zinc/87/33/04/261873304.db2.gz RVGTYIQHVZUDCT-ZYHUDNBSSA-N 0 0 315.439 0.323 10 0 DCAERN C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000361503425 261932410 /nfs/dbraw/zinc/93/24/10/261932410.db2.gz MWRWBUMCVMOQHN-TUAOUCFPSA-N 0 0 323.393 0.875 10 0 DCAERN O=C1Nc2ccccc2CC[C@H]1N1CCN2CCOC[C@@H]2C1 ZINC000361769977 261959576 /nfs/dbraw/zinc/95/95/76/261959576.db2.gz VEDQSZGRDCTKAF-GOEBONIOSA-N 0 0 301.390 0.956 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](COc2ccccc2)C1 ZINC000361983466 261986619 /nfs/dbraw/zinc/98/66/19/261986619.db2.gz IUWLRDMXJGKLFM-GXTWGEPZSA-N 0 0 321.377 0.610 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2ccc(=O)n(C)n2)no1 ZINC000362312415 262021947 /nfs/dbraw/zinc/02/19/47/262021947.db2.gz JEKSSDAWVCGOHR-UHFFFAOYSA-N 0 0 320.305 0.220 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)C[C@@H]2CCCC(=O)N2)no1 ZINC000362319692 262022898 /nfs/dbraw/zinc/02/28/98/262022898.db2.gz ZCMAHNYUDGEYEP-VIFPVBQESA-N 0 0 323.349 0.871 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)NCc2ncccc2S(C)(=O)=O)c1 ZINC000362419661 262032876 /nfs/dbraw/zinc/03/28/76/262032876.db2.gz CXECKIFDELFEJK-UHFFFAOYSA-N 0 0 321.358 0.946 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000362474184 262038837 /nfs/dbraw/zinc/03/88/37/262038837.db2.gz RDQUMNITPGQPCT-BDAKNGLRSA-N 0 0 303.318 0.805 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1nc(C)cc(OC)n1 ZINC000362668322 262058109 /nfs/dbraw/zinc/05/81/09/262058109.db2.gz RUZVBJNFWPNXPG-UWVGGRQHSA-N 0 0 310.354 0.662 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000362707298 262063316 /nfs/dbraw/zinc/06/33/16/262063316.db2.gz MQSWWPUQIDVRLG-UHFFFAOYSA-N 0 0 316.317 0.570 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@](C)(O)C3CCC3)CC2)n1 ZINC000362724141 262064590 /nfs/dbraw/zinc/06/45/90/262064590.db2.gz AYFVRDIBDQUBGK-OAHLLOKOSA-N 0 0 308.382 0.573 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000363269326 262109656 /nfs/dbraw/zinc/10/96/56/262109656.db2.gz YAZILJZYWIKDOU-LMLFDSFASA-N 0 0 323.422 0.421 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000363269328 262109747 /nfs/dbraw/zinc/10/97/47/262109747.db2.gz YAZILJZYWIKDOU-UKKRHICBSA-N 0 0 323.422 0.421 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000363789837 262130438 /nfs/dbraw/zinc/13/04/38/262130438.db2.gz FUIYAJXNYSJRKP-CYBMUJFWSA-N 0 0 304.350 0.334 10 0 DCAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCN2CCOC[C@H]2C1 ZINC000363861461 262135009 /nfs/dbraw/zinc/13/50/09/262135009.db2.gz WSWPBVXRYILKND-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN CCc1cccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363993597 262139411 /nfs/dbraw/zinc/13/94/11/262139411.db2.gz DICDCMQTMMDTQD-CQSZACIVSA-N 0 0 310.419 0.954 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCC(=O)N[C@H]2C)nc1C ZINC000392903212 262161368 /nfs/dbraw/zinc/16/13/68/262161368.db2.gz PPSNUFYRVZDSPV-WPRPVWTQSA-N 0 0 300.384 0.157 10 0 DCAERN CC(C)NC(=O)[C@H](C)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000412875422 262195927 /nfs/dbraw/zinc/19/59/27/262195927.db2.gz YSLWOUJAVOKSAN-JTQLQIEISA-N 0 0 302.338 0.305 10 0 DCAERN O=C(c1cccnc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000038510327 270933768 /nfs/dbraw/zinc/93/37/68/270933768.db2.gz XAPYHMZYBPJPLF-UHFFFAOYSA-N 0 0 309.333 0.482 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NCCc1ccsc1)c2=O ZINC000046242737 270940840 /nfs/dbraw/zinc/94/08/40/270940840.db2.gz DAGBVTZUPKLVFG-UHFFFAOYSA-N 0 0 317.374 0.550 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358317713 271049146 /nfs/dbraw/zinc/04/91/46/271049146.db2.gz LLGAXLYZWJCCCL-HNNXBMFYSA-N 0 0 320.437 0.767 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H](CO)C1CC1 ZINC000358318166 271049418 /nfs/dbraw/zinc/04/94/18/271049418.db2.gz LUUUAXUHBCNQAY-UPJWGTAASA-N 0 0 308.378 0.296 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)c1nncn1C ZINC000359487754 271119935 /nfs/dbraw/zinc/11/99/35/271119935.db2.gz XBYNZDIDHMQJRB-KWQFWETISA-N 0 0 321.303 0.975 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000359955799 271151112 /nfs/dbraw/zinc/15/11/12/271151112.db2.gz IQQLDVHLVRNMCQ-QWHCGFSZSA-N 0 0 324.406 0.922 10 0 DCAERN COc1ccc(S(=O)(=O)N(C)Cc2nnnn2C)c(F)c1 ZINC000359986399 271153898 /nfs/dbraw/zinc/15/38/98/271153898.db2.gz KHQKBICYXMSPLF-UHFFFAOYSA-N 0 0 315.330 0.179 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCNC(=O)C3)sc2C1 ZINC000434760496 271542515 /nfs/dbraw/zinc/54/25/15/271542515.db2.gz ZRKPPOAQRJWYQZ-MRVPVSSYSA-N 0 0 322.390 0.165 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@H](CO)CCOC)s1 ZINC000440108887 271649490 /nfs/dbraw/zinc/64/94/90/271649490.db2.gz WMOOIVZDBZUNGO-VIFPVBQESA-N 0 0 315.395 0.466 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000447900609 271805711 /nfs/dbraw/zinc/80/57/11/271805711.db2.gz DAIZLWJYYMJBHJ-MRXNPFEDSA-N 0 0 316.313 0.967 10 0 DCAERN CCOC(=O)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000450519425 271873897 /nfs/dbraw/zinc/87/38/97/271873897.db2.gz MIKWGKDRINSKSF-MRVPVSSYSA-N 0 0 306.240 0.754 10 0 DCAERN C[C@H](O)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000450739805 271880943 /nfs/dbraw/zinc/88/09/43/271880943.db2.gz RTHMGWDEZAKCFS-LBPRGKRZSA-N 0 0 315.391 0.857 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2=O)ncc1C(N)=O ZINC000451075400 271889148 /nfs/dbraw/zinc/88/91/48/271889148.db2.gz WGVGZMBSXJZZSZ-LLVKDONJSA-N 0 0 318.377 0.620 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cccnc2)CC12COC2 ZINC000452264991 271912247 /nfs/dbraw/zinc/91/22/47/271912247.db2.gz PLSSHNBURXXRDR-CYBMUJFWSA-N 0 0 304.346 0.662 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458131787 271943347 /nfs/dbraw/zinc/94/33/47/271943347.db2.gz RHOQWFHRDZDTGC-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458136213 271943350 /nfs/dbraw/zinc/94/33/50/271943350.db2.gz KVXHAOUKWDEHPD-KBPBESRZSA-N 0 0 318.377 0.921 10 0 DCAERN CC[C@](COC)(NCC(=O)Nc1nc(C)cs1)C(=O)OC ZINC000459592188 272001472 /nfs/dbraw/zinc/00/14/72/272001472.db2.gz OVXOLFUELMERKW-CYBMUJFWSA-N 0 0 315.395 0.948 10 0 DCAERN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N(C)CC1CC1 ZINC000460008605 272023793 /nfs/dbraw/zinc/02/37/93/272023793.db2.gz JLXFOWIVKSYOIF-UHFFFAOYSA-N 0 0 311.426 0.424 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000463819117 272026353 /nfs/dbraw/zinc/02/63/53/272026353.db2.gz QWBLEPAAMUSZPJ-FOGDFJRCSA-N 0 0 304.412 0.277 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)C1 ZINC000471672803 272030147 /nfs/dbraw/zinc/03/01/47/272030147.db2.gz YSEGRJYRYHFDTC-VXGBXAGGSA-N 0 0 322.427 0.015 10 0 DCAERN COc1ncc(NC(=O)N[C@@H]2CC[C@H](OC)C2)cc1C(N)=O ZINC000471936096 272033507 /nfs/dbraw/zinc/03/35/07/272033507.db2.gz WZXMFJJUPVTMPY-SCZZXKLOSA-N 0 0 308.338 0.878 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000487113330 272037826 /nfs/dbraw/zinc/03/78/26/272037826.db2.gz FUOIAYYQZZNPSU-RKDXNWHRSA-N 0 0 322.365 0.473 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)OC ZINC000487118977 272038192 /nfs/dbraw/zinc/03/81/92/272038192.db2.gz BLUCAUHWOFLDJR-ZJUUUORDSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCC(C)C ZINC000487367383 272040923 /nfs/dbraw/zinc/04/09/23/272040923.db2.gz MUDZAZRHXWKVHX-QWRGUYRKSA-N 0 0 322.427 0.408 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccnc(C)n1 ZINC000488743478 272049976 /nfs/dbraw/zinc/04/99/76/272049976.db2.gz IKEANFWJFLCTEM-BDAKNGLRSA-N 0 0 323.353 0.363 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCCCc1nnc2ccccn21 ZINC000489444084 272061566 /nfs/dbraw/zinc/06/15/66/272061566.db2.gz DKIXNBCCBNHGJA-LLVKDONJSA-N 0 0 316.365 0.192 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H]1CCC(=O)NC1 ZINC000490279110 272072189 /nfs/dbraw/zinc/07/21/89/272072189.db2.gz MXRANKBSSJNWCR-GFCCVEGCSA-N 0 0 317.345 0.345 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCCc2cscn2)cn1 ZINC000492653105 272140072 /nfs/dbraw/zinc/14/00/72/272140072.db2.gz MENMXLQWWHSSPV-UHFFFAOYSA-N 0 0 319.390 0.902 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000494427268 272221390 /nfs/dbraw/zinc/22/13/90/272221390.db2.gz SGBHDKGYWSTPPC-UHFFFAOYSA-N 0 0 308.386 0.077 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1CC[C@H]1COc2ccccc2O1 ZINC000516703075 272443678 /nfs/dbraw/zinc/44/36/78/272443678.db2.gz AQXPQDPFYUBLCE-MEDUHNTESA-N 0 0 318.329 0.927 10 0 DCAERN O=C(c1cc(O)cc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000528861954 272663988 /nfs/dbraw/zinc/66/39/88/272663988.db2.gz LJFCAGPFCPNKBD-LLVKDONJSA-N 0 0 316.151 0.988 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000529762091 272707832 /nfs/dbraw/zinc/70/78/32/272707832.db2.gz IIZAKUONGWJLNX-HRCADAONSA-N 0 0 318.373 0.620 10 0 DCAERN CCc1nc(NC(=O)CN(C)Cc2nnnn2C)sc1C ZINC000533481774 287790667 /nfs/dbraw/zinc/79/06/67/287790667.db2.gz FJFNQUYNNCMPCE-UHFFFAOYSA-N 0 0 309.399 0.608 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000535023071 287824483 /nfs/dbraw/zinc/82/44/83/287824483.db2.gz LDPOOQJWTHBGGU-LSDHHAIUSA-N 0 0 321.425 0.863 10 0 DCAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000535713673 287837867 /nfs/dbraw/zinc/83/78/67/287837867.db2.gz MEEWRXUKVSHEFM-SNVBAGLBSA-N 0 0 315.333 0.928 10 0 DCAERN CSc1nc(=NC(=O)NCCNc2cc[nH+]cc2)s[n-]1 ZINC000535816170 287845296 /nfs/dbraw/zinc/84/52/96/287845296.db2.gz ZOVFEDAWOWUHER-UHFFFAOYSA-N 0 0 310.408 0.732 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000151520577 275912211 /nfs/dbraw/zinc/91/22/11/275912211.db2.gz DEKSKLPUHYRHKO-CHWSQXEVSA-N 0 0 319.471 0.839 10 0 DCAERN O=C(NCCOC[C@H]1CCCO1)N1CCSC[C@H]1CCO ZINC000538213803 287875781 /nfs/dbraw/zinc/87/57/81/287875781.db2.gz QSIKDWJVSALDJK-CHWSQXEVSA-N 0 0 318.439 0.691 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)C1 ZINC000408064375 277127024 /nfs/dbraw/zinc/12/70/24/277127024.db2.gz UKFPOUHPADUFKV-ILXRZTDVSA-N 0 0 308.353 0.791 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000189230514 277280388 /nfs/dbraw/zinc/28/03/88/277280388.db2.gz WIRLPDAUZJHEHY-QMMMGPOBSA-N 0 0 309.395 0.685 10 0 DCAERN C[C@@H]1Oc2ccc(C(=O)Cn3cnn(C)c3=O)cc2NC1=O ZINC000542829061 287950070 /nfs/dbraw/zinc/95/00/70/287950070.db2.gz ATEIRVRVFKKJLK-QMMMGPOBSA-N 0 0 302.290 0.184 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000372093794 277941997 /nfs/dbraw/zinc/94/19/97/277941997.db2.gz HRLZVHPTPLZINM-ZBEGNZNMSA-N 0 0 323.393 0.925 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000330643966 277990925 /nfs/dbraw/zinc/99/09/25/277990925.db2.gz YGZMQILAJMVMMU-MGPQQGTHSA-N 0 0 314.426 0.662 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000342733443 278005294 /nfs/dbraw/zinc/00/52/94/278005294.db2.gz VIDPILHSPXMEAM-CMPLNLGQSA-N 0 0 316.423 0.327 10 0 DCAERN CCOC(=O)CCCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000545909729 288005892 /nfs/dbraw/zinc/00/58/92/288005892.db2.gz UEGOMQVHZJNACN-JTQLQIEISA-N 0 0 306.384 0.158 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000329310564 278068686 /nfs/dbraw/zinc/06/86/86/278068686.db2.gz CGNYRMBNKICXGA-FQLMCAECSA-N 0 0 310.394 0.384 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000333211508 278069012 /nfs/dbraw/zinc/06/90/12/278069012.db2.gz CXQNOZGXPAOBPG-SOUVJXGZSA-N 0 0 324.421 0.966 10 0 DCAERN CC(C)c1nnc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)n1C ZINC000126689982 278099359 /nfs/dbraw/zinc/09/93/59/278099359.db2.gz GGXZLIYOGOVONL-WDEREUQCSA-N 0 0 300.428 0.946 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@H](C)[C@@H]3CCOC3)CC2)n1 ZINC000547371698 288041234 /nfs/dbraw/zinc/04/12/34/288041234.db2.gz UDMSJXRMOVZLOH-DGCLKSJQSA-N 0 0 323.397 0.630 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCS1(=O)=O ZINC000547475975 288050474 /nfs/dbraw/zinc/05/04/74/288050474.db2.gz XSGRKLKFNBSDSS-NWDGAFQWSA-N 0 0 317.407 0.896 10 0 DCAERN CCS(=O)(=O)N1CCC(CNc2ccncc2C#N)CC1 ZINC000547511797 288053609 /nfs/dbraw/zinc/05/36/09/288053609.db2.gz DAEDALRSQROYHM-UHFFFAOYSA-N 0 0 308.407 0.849 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000264835005 278674656 /nfs/dbraw/zinc/67/46/56/278674656.db2.gz BDKBUMIJXFZUSX-QWHCGFSZSA-N 0 0 319.409 0.746 10 0 DCAERN O=C(N[C@H]1CCn2ccnc2C1)N1CCSC[C@@H]1CCO ZINC000547680008 288068017 /nfs/dbraw/zinc/06/80/17/288068017.db2.gz UNUSYCPVBJKDEW-RYUDHWBXSA-N 0 0 310.423 0.707 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000547734163 288073867 /nfs/dbraw/zinc/07/38/67/288073867.db2.gz PAHMFJJMSWEFBH-CYBMUJFWSA-N 0 0 317.345 0.997 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000547737871 288074295 /nfs/dbraw/zinc/07/42/95/288074295.db2.gz REJBEYSRWRBXJQ-WBMJQRKESA-N 0 0 316.361 0.516 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3ccoc3)CCO2)n1 ZINC000547797209 288080456 /nfs/dbraw/zinc/08/04/56/288080456.db2.gz OADFDRHAXRTUOA-AWEZNQCLSA-N 0 0 304.350 0.958 10 0 DCAERN CCN(CC)CCS(=O)(=O)N1CC[S@](=O)CC[C@H]1C ZINC000408212869 279111908 /nfs/dbraw/zinc/11/19/08/279111908.db2.gz AFSTWGGBNGZLAS-KZULUSFZSA-N 0 0 310.485 0.501 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041242 279346579 /nfs/dbraw/zinc/34/65/79/279346579.db2.gz VCXFGBOURLARPF-HOCLYGCPSA-N 0 0 311.426 0.030 10 0 DCAERN Cn1nc(C(=O)N2CCCN(C)CC2)c(=O)c2ccccc21 ZINC000329646822 279395745 /nfs/dbraw/zinc/39/57/45/279395745.db2.gz JPOHFNKYLPSKDZ-UHFFFAOYSA-N 0 0 300.362 0.711 10 0 DCAERN O=C(CN1CCOCC1=O)NC1(c2ccccc2)CCOCC1 ZINC000548388854 288138423 /nfs/dbraw/zinc/13/84/23/288138423.db2.gz KSHNEBOCAREYER-UHFFFAOYSA-N 0 0 318.373 0.667 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCOCC2(CCC2)C1 ZINC000548392059 288138974 /nfs/dbraw/zinc/13/89/74/288138974.db2.gz PQXUGLCUTLSQRU-INIZCTEOSA-N 0 0 320.389 0.628 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC2(CCOC2=O)CC1 ZINC000371154096 279548923 /nfs/dbraw/zinc/54/89/23/279548923.db2.gz DEWWOOJSJSOVMT-UHFFFAOYSA-N 0 0 312.366 0.037 10 0 DCAERN C[C@]1(C(=O)NCc2cccc(N3CCOCC3)n2)CCOC1 ZINC000548501651 288148889 /nfs/dbraw/zinc/14/88/89/288148889.db2.gz KSHWCEKJNZUWDA-INIZCTEOSA-N 0 0 305.378 0.961 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000548636577 288161742 /nfs/dbraw/zinc/16/17/42/288161742.db2.gz UCOKRRYZFAGAML-CVEARBPZSA-N 0 0 314.385 0.943 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000548636580 288161843 /nfs/dbraw/zinc/16/18/43/288161843.db2.gz UCOKRRYZFAGAML-JKSUJKDBSA-N 0 0 314.385 0.943 10 0 DCAERN C[C@@H]1CC(NC(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@@H](C)O1 ZINC000548720539 288170621 /nfs/dbraw/zinc/17/06/21/288170621.db2.gz CQIAPEKUGKJYBA-HSMVNMDESA-N 0 0 308.378 0.672 10 0 DCAERN C[S@](=O)C[C@H](NC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000548719487 288170636 /nfs/dbraw/zinc/17/06/36/288170636.db2.gz QKPPIMHIIQFIJO-XMHCIUCPSA-N 0 0 324.402 0.081 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)COc3cnn(C)c3)C2)n1 ZINC000548799544 288177048 /nfs/dbraw/zinc/17/70/48/288177048.db2.gz KUMJRTHXSHSNRF-LLVKDONJSA-N 0 0 305.338 0.897 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1COc2ccccc21 ZINC000172380967 279928028 /nfs/dbraw/zinc/92/80/28/279928028.db2.gz TUHLTSZYQDMQAF-JQWIXIFHSA-N 0 0 310.375 0.949 10 0 DCAERN COC(=O)[C@H](NC(=O)COc1cnn(C)c1)c1cccnc1 ZINC000548864940 288183023 /nfs/dbraw/zinc/18/30/23/288183023.db2.gz SWRAPUDEGODRQD-CYBMUJFWSA-N 0 0 304.306 0.224 10 0 DCAERN CN(Cc1nnnn1C)c1nnc(Cc2ccccc2F)n1C ZINC000548914177 288187131 /nfs/dbraw/zinc/18/71/31/288187131.db2.gz BDZREYNQIQDJAB-UHFFFAOYSA-N 0 0 316.344 0.705 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)COCc1ccnn1C ZINC000550324077 288215243 /nfs/dbraw/zinc/21/52/43/288215243.db2.gz ISTKFIBTOFAHQQ-ZDUSSCGKSA-N 0 0 309.366 0.879 10 0 DCAERN CC[C@H]1CC[C@@H](C)N1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000373829174 288238288 /nfs/dbraw/zinc/23/82/88/288238288.db2.gz QFDXKPARQDOVLE-MROQNXINSA-N 0 0 318.439 0.825 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)C1 ZINC000551985248 288255205 /nfs/dbraw/zinc/25/52/05/288255205.db2.gz DAZYNXOGQCYREZ-YNEHKIRRSA-N 0 0 323.397 0.944 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000161597438 280674803 /nfs/dbraw/zinc/67/48/03/280674803.db2.gz CZWZVYSGQBPTTG-GHMZBOCLSA-N 0 0 320.397 0.246 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000552633380 288277791 /nfs/dbraw/zinc/27/77/91/288277791.db2.gz WMOHKYJSTGSSTR-JTQLQIEISA-N 0 0 307.316 0.608 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552703339 288279202 /nfs/dbraw/zinc/27/92/02/288279202.db2.gz UAQFLSHUWNZLDR-LLVKDONJSA-N 0 0 312.333 0.674 10 0 DCAERN CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552702331 288279215 /nfs/dbraw/zinc/27/92/15/288279215.db2.gz WUYBPVXIVAJBHJ-UHFFFAOYSA-N 0 0 317.349 0.304 10 0 DCAERN C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553082627 288286191 /nfs/dbraw/zinc/28/61/91/288286191.db2.gz JOLAPDUUCPENMZ-QWRGUYRKSA-N 0 0 304.350 0.796 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCC2)CCN1C[C@H](C)O ZINC000408427993 281172555 /nfs/dbraw/zinc/17/25/55/281172555.db2.gz AZSGRBAILSVACY-STQMWFEESA-N 0 0 305.444 0.104 10 0 DCAERN CC1(C)CN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000366169502 281215369 /nfs/dbraw/zinc/21/53/69/281215369.db2.gz IJTZXMPFADDXCS-NEPJUHHUSA-N 0 0 312.435 0.917 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1=O ZINC000113898369 281391723 /nfs/dbraw/zinc/39/17/23/281391723.db2.gz DNEXOAAUYBJWGM-NSHDSACASA-N 0 0 319.365 0.794 10 0 DCAERN CCCN(C(=O)COc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000554566574 288329343 /nfs/dbraw/zinc/32/93/43/288329343.db2.gz DVALBCDNVRLORH-NSHDSACASA-N 0 0 315.395 0.225 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000408384160 288360982 /nfs/dbraw/zinc/36/09/82/288360982.db2.gz YTRDFMRWJWDDDS-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408380422 288361529 /nfs/dbraw/zinc/36/15/29/288361529.db2.gz YZAPNMNHPDJWRO-YNEHKIRRSA-N 0 0 318.439 0.684 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCn2ccnc2)C1 ZINC000556654586 288380919 /nfs/dbraw/zinc/38/09/19/288380919.db2.gz IBCMJELEBVQOLE-QWHCGFSZSA-N 0 0 308.382 0.463 10 0 DCAERN CC(C)CN1C[C@H](C(=O)N2CCSC[C@@H]2CCO)CC1=O ZINC000556828864 288397927 /nfs/dbraw/zinc/39/79/27/288397927.db2.gz RUUAGARLTBZISW-OLZOCXBDSA-N 0 0 314.451 0.817 10 0 DCAERN CCn1c([C@H]2CCOC2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000558877942 288461982 /nfs/dbraw/zinc/46/19/82/288461982.db2.gz HXNFWZCNTRAORM-LRDDRELGSA-N 0 0 319.409 0.908 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000560011225 288483711 /nfs/dbraw/zinc/48/37/11/288483711.db2.gz IKQMVYTYAUWEDG-QWRGUYRKSA-N 0 0 320.411 0.209 10 0 DCAERN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740529 288517565 /nfs/dbraw/zinc/51/75/65/288517565.db2.gz ZFHKMBPMGWVXAG-STQMWFEESA-N 0 0 308.382 0.121 10 0 DCAERN Cc1cc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)on1 ZINC000560777134 288519061 /nfs/dbraw/zinc/51/90/61/288519061.db2.gz ISYHUADRAVFCJU-UHFFFAOYSA-N 0 0 312.333 0.860 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)[C@@H](C)OC)C1 ZINC000562255853 288560665 /nfs/dbraw/zinc/56/06/65/288560665.db2.gz GORYZPHKBRJEJF-MXWKQRLJSA-N 0 0 307.416 0.133 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000562729569 288594174 /nfs/dbraw/zinc/59/41/74/288594174.db2.gz NSFUZMFGHMHIAE-UWVGGRQHSA-N 0 0 306.370 0.522 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000564574766 288751565 /nfs/dbraw/zinc/75/15/65/288751565.db2.gz JLRQBGBWCMHDCH-DDHJBXDOSA-N 0 0 301.387 0.345 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408289142 288766286 /nfs/dbraw/zinc/76/62/86/288766286.db2.gz CXNMSVBOKXRHQA-UWVGGRQHSA-N 0 0 300.384 0.178 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000407960913 289003164 /nfs/dbraw/zinc/00/31/64/289003164.db2.gz YPUWFTMNQOFPAX-WQGACYEGSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000246650569 289023015 /nfs/dbraw/zinc/02/30/15/289023015.db2.gz VJDWQCSHPQIUGN-VWYCJHECSA-N 0 0 311.407 0.864 10 0 DCAERN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000408301094 289177064 /nfs/dbraw/zinc/17/70/64/289177064.db2.gz NXNGKEDUQJWOPU-HZMBPMFUSA-N 0 0 309.391 0.630 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000408187735 289230827 /nfs/dbraw/zinc/23/08/27/289230827.db2.gz PZCOMYRYGJCBON-CYZMBNFOSA-N 0 0 316.423 0.342 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)[C@@H]1CCCN1c1nccs1 ZINC000163701341 289524989 /nfs/dbraw/zinc/52/49/89/289524989.db2.gz WULKWMXNKJLTOU-NSHDSACASA-N 0 0 313.423 0.561 10 0 DCAERN CN(CC1CC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000368464512 289561174 /nfs/dbraw/zinc/56/11/74/289561174.db2.gz FVGNBBBHZQGFAQ-HNNXBMFYSA-N 0 0 323.393 0.470 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NCCC(N)=O)[C@H]1c1ccccc1 ZINC000175431460 289792814 /nfs/dbraw/zinc/79/28/14/289792814.db2.gz XWWVILGXBRIHRR-IUODEOHRSA-N 0 0 303.362 0.588 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1=O ZINC000113896920 289862037 /nfs/dbraw/zinc/86/20/37/289862037.db2.gz SROUXSTYXMGYCP-LLVKDONJSA-N 0 0 305.338 0.357 10 0 DCAERN C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)C(=O)N(C)C ZINC000046098591 289874572 /nfs/dbraw/zinc/87/45/72/289874572.db2.gz IQCSVWSPZQUSED-NSHDSACASA-N 0 0 316.365 0.543 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408282570 290087224 /nfs/dbraw/zinc/08/72/24/290087224.db2.gz YPUHZCISKMXSFK-KBPBESRZSA-N 0 0 311.426 0.158 10 0 DCAERN COC[C@H]1CCCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334068171 293198928 /nfs/dbraw/zinc/19/89/28/293198928.db2.gz FFAKUPBVSXLWKL-FRRDWIJNSA-N 0 0 309.370 0.429 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1ccnc3[nH]c(C)nc31)CC2 ZINC000367201104 293542588 /nfs/dbraw/zinc/54/25/88/293542588.db2.gz RJHQVQLQSJNTCX-JTQLQIEISA-N 0 0 311.349 0.911 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCC(F)(F)F)[C@@H]2C1 ZINC000158244879 293780980 /nfs/dbraw/zinc/78/09/80/293780980.db2.gz COLFUHDFVPTLFY-MXWKQRLJSA-N 0 0 310.316 0.933 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@]2(O)CCSC2)C1 ZINC000330219631 293906025 /nfs/dbraw/zinc/90/60/25/293906025.db2.gz PRFHFJGOZLOCHP-GBIKHYSHSA-N 0 0 313.379 0.534 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)C1(C)C ZINC000371983255 294015884 /nfs/dbraw/zinc/01/58/84/294015884.db2.gz FXAYFSIGEVKHBW-YIYPIFLZSA-N 0 0 311.426 0.772 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000365551222 297059026 /nfs/dbraw/zinc/05/90/26/297059026.db2.gz WBZNHSBKVYKWRJ-OFTGVCEQSA-N 0 0 318.439 0.744 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333104726 297061103 /nfs/dbraw/zinc/06/11/03/297061103.db2.gz CXDLYOTYGULKNQ-NDBYEHHHSA-N 0 0 321.464 0.871 10 0 DCAERN Cn1c(=O)c2cc(C(=O)N3CCC34CCC4)cnc2n(C)c1=O ZINC000408317465 294137722 /nfs/dbraw/zinc/13/77/22/294137722.db2.gz AQOKCECVQKOXJS-UHFFFAOYSA-N 0 0 314.345 0.401 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000249653487 294292762 /nfs/dbraw/zinc/29/27/62/294292762.db2.gz YWGARRGGYKQTSL-YNEHKIRRSA-N 0 0 306.428 0.004 10 0 DCAERN CO[C@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1(C)C ZINC000333565484 294542529 /nfs/dbraw/zinc/54/25/29/294542529.db2.gz XEMMWHGUIFYETB-XQQFMLRXSA-N 0 0 323.397 0.675 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)CC2CC2)C1 ZINC000408027630 294589344 /nfs/dbraw/zinc/58/93/44/294589344.db2.gz OKUWIVXXBGESJI-STQMWFEESA-N 0 0 316.423 0.438 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2cc(C)ccc2C)C1 ZINC000285021511 294597539 /nfs/dbraw/zinc/59/75/39/294597539.db2.gz ZSZQSVLXQDHUHX-STQMWFEESA-N 0 0 306.362 0.783 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000091783959 295118925 /nfs/dbraw/zinc/11/89/25/295118925.db2.gz INDOFKZRXNQIOB-AWEZNQCLSA-N 0 0 314.345 0.128 10 0 DCAERN NC(=O)c1ccc(NC(=O)[C@@H]2COCCN2CC(F)F)cn1 ZINC000185859544 295184819 /nfs/dbraw/zinc/18/48/19/295184819.db2.gz ABSVKHCYCLNKKJ-JTQLQIEISA-N 0 0 314.292 0.085 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000262032890 295411447 /nfs/dbraw/zinc/41/14/47/295411447.db2.gz SOGFUWFZFQPHBE-TZMCWYRMSA-N 0 0 317.389 0.646 10 0 DCAERN O=C(Cn1cn[nH]c1=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158275536 295563096 /nfs/dbraw/zinc/56/30/96/295563096.db2.gz FJLLMSBBXUJJDT-INIZCTEOSA-N 0 0 314.345 0.272 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)C[C@H](C)O1 ZINC000408077236 297199030 /nfs/dbraw/zinc/19/90/30/297199030.db2.gz VEYITEXOQOQSRS-WRWGMCAJSA-N 0 0 304.412 0.470 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000364761835 297967557 /nfs/dbraw/zinc/96/75/57/297967557.db2.gz WJNCIESVEVKBMG-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248992455 297970923 /nfs/dbraw/zinc/97/09/23/297970923.db2.gz NVKYNMKAFAMHDF-DYEKYZERSA-N 0 0 318.439 0.420 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1CS(N)(=O)=O)C1CCOCC1 ZINC000407997943 298032622 /nfs/dbraw/zinc/03/26/22/298032622.db2.gz YZNZYZXPFMVCLS-CMPLNLGQSA-N 0 0 304.412 0.329 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352093691 298121287 /nfs/dbraw/zinc/12/12/87/298121287.db2.gz SQLBGRWZNCWUQO-WOPDTQHZSA-N 0 0 312.414 0.014 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nnnn1CC(F)(F)F ZINC000190863096 300035781 /nfs/dbraw/zinc/03/57/81/300035781.db2.gz GLJPLXHIHGNOGC-JGVFFNPUSA-N 0 0 306.292 0.321 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCOCC2=O)c2ccccc2C(=O)N1 ZINC000366169947 300129161 /nfs/dbraw/zinc/12/91/61/300129161.db2.gz JDLUIQCVEIKMEE-NSHDSACASA-N 0 0 317.345 0.010 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000190027942 300585331 /nfs/dbraw/zinc/58/53/31/300585331.db2.gz CYLLLJHCMUZGHU-QJPTWQEYSA-N 0 0 304.412 0.294 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[S@](=O)[C@@H](C)C3)C2=O)n(C)n1 ZINC000408427119 301342366 /nfs/dbraw/zinc/34/23/66/301342366.db2.gz ZPFCNQYWMDNHJS-OABGYEMISA-N 0 0 310.423 0.287 10 0 DCAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178518451 301648420 /nfs/dbraw/zinc/64/84/20/301648420.db2.gz OBZRFAXNQUNNHE-LLVKDONJSA-N 0 0 311.407 0.787 10 0 DCAERN Cc1cccn2c1ncc(C(=O)N(CC(N)=O)CC(C)C)c2=O ZINC000091010608 302229834 /nfs/dbraw/zinc/22/98/34/302229834.db2.gz UJEFOZNNBAHVFE-UHFFFAOYSA-N 0 0 316.361 0.586 10 0 DCAERN Cc1nc([C@@H]2COCCN2S(=O)(=O)N2CCC[C@H]2C)no1 ZINC000364223127 302633740 /nfs/dbraw/zinc/63/37/40/302633740.db2.gz ZWXCJAOIBHZMAS-KOLCDFICSA-N 0 0 316.383 0.480 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](N2C(=O)N[C@@H](C)C2=O)CC(=O)N1C ZINC000330324365 302780576 /nfs/dbraw/zinc/78/05/76/302780576.db2.gz IJESBUAKMVIGQZ-IYYTYJHQSA-N 0 0 319.365 0.453 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)CN1CCCCCC1=O ZINC000284089539 303103104 /nfs/dbraw/zinc/10/31/04/303103104.db2.gz MZFHTLUCDQAECR-GFCCVEGCSA-N 0 0 321.381 0.118 10 0 DCAERN O=C(N1CCN2CCOC[C@@H]2C1)C(F)(F)C1(O)CCCC1 ZINC000376158751 303681949 /nfs/dbraw/zinc/68/19/49/303681949.db2.gz WMVKHNAGDOWAKE-NSHDSACASA-N 0 0 304.337 0.470 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCN1c1nccs1 ZINC000153376333 303831112 /nfs/dbraw/zinc/83/11/12/303831112.db2.gz YPXZJXVVDQPOML-BDAKNGLRSA-N 0 0 308.363 0.033 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000081476058 303950396 /nfs/dbraw/zinc/95/03/96/303950396.db2.gz RZQPCSIUHXAVJM-KWQFWETISA-N 0 0 309.288 0.364 10 0 DCAERN COC[C@@]1(C)NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000583911088 331460126 /nfs/dbraw/zinc/46/01/26/331460126.db2.gz PTNCQDXVQNKZAX-MRXNPFEDSA-N 0 0 319.361 0.985 10 0 DCAERN CN(C(=O)NC[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000188181998 333037845 /nfs/dbraw/zinc/03/78/45/333037845.db2.gz PHHBIVBKLOMATB-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000582158108 335128716 /nfs/dbraw/zinc/12/87/16/335128716.db2.gz XVGJNLDOCQMQHW-RYUDHWBXSA-N 0 0 302.334 0.693 10 0 DCAERN O=C(NCc1cc[nH]n1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000580349764 336259375 /nfs/dbraw/zinc/25/93/75/336259375.db2.gz RGJHUYHJGCCNID-UHFFFAOYSA-N 0 0 313.361 0.375 10 0 DCAERN Cn1cc(Br)c(CNS(=O)(=O)NC2CC2)n1 ZINC000393629540 337093351 /nfs/dbraw/zinc/09/33/51/337093351.db2.gz GLPRASDRQJKBJD-UHFFFAOYSA-N 0 0 309.189 0.269 10 0 DCAERN COc1cccc([C@H]2C[C@H]2C(=O)NCCNS(C)(=O)=O)c1 ZINC000171535990 341779588 /nfs/dbraw/zinc/77/95/88/341779588.db2.gz RYMBPCNLEBNTFB-CHWSQXEVSA-N 0 0 312.391 0.464 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000576425259 341845771 /nfs/dbraw/zinc/84/57/71/341845771.db2.gz IHDYFPHCLKBPCT-ZFWWWQNUSA-N 0 0 323.437 0.613 10 0 DCAERN CCC(=O)N[C@H]1CCCN(Cc2nnn(CC(F)(F)F)n2)C1 ZINC000576540932 341851662 /nfs/dbraw/zinc/85/16/62/341851662.db2.gz SDSWYLPQOGQYDO-VIFPVBQESA-N 0 0 320.319 0.726 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000576969991 341872740 /nfs/dbraw/zinc/87/27/40/341872740.db2.gz JZYZMHWOZCOCKW-SDDRHHMPSA-N 0 0 304.412 0.678 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1O ZINC000577282250 341902277 /nfs/dbraw/zinc/90/22/77/341902277.db2.gz BJBCXBIIGDVBBZ-ZDUSSCGKSA-N 0 0 303.318 0.870 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000155772887 533737088 /nfs/dbraw/zinc/73/70/88/533737088.db2.gz ZZUJKRPPQNNDGP-UWVGGRQHSA-N 0 0 307.325 0.877 10 0 DCAERN C[C@H]1CN(CC(=O)NCCOc2ccccc2)CCN1CCO ZINC000187675191 533912508 /nfs/dbraw/zinc/91/25/08/533912508.db2.gz LPRCKZWWWAESPR-HNNXBMFYSA-N 0 0 321.421 0.180 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000186828840 533943681 /nfs/dbraw/zinc/94/36/81/533943681.db2.gz DIESNJLVTVBDAU-NWDGAFQWSA-N 0 0 306.362 0.635 10 0 DCAERN Cc1cc(CC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)[nH]n1 ZINC000276660178 534148090 /nfs/dbraw/zinc/14/80/90/534148090.db2.gz YRJKYQHZXRVZII-HNNXBMFYSA-N 0 0 306.410 0.830 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188791490 534229026 /nfs/dbraw/zinc/22/90/26/534229026.db2.gz XUIDAEISOSAOLQ-CYBMUJFWSA-N 0 0 322.405 0.771 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CCS1(=O)=O ZINC000188633287 534314078 /nfs/dbraw/zinc/31/40/78/534314078.db2.gz YHRWLIAXKKNIHF-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)no1 ZINC000181388857 534342835 /nfs/dbraw/zinc/34/28/35/534342835.db2.gz NLADTSGNYZRGKW-RKDXNWHRSA-N 0 0 304.372 0.164 10 0 DCAERN CC(C)(C)c1nnc(NC(=O)C(=O)N2CCC[C@H]2CO)s1 ZINC000189923010 519124031 /nfs/dbraw/zinc/12/40/31/519124031.db2.gz AOGAFFPQWJGSAP-QMMMGPOBSA-N 0 0 312.395 0.757 10 0 DCAERN CC(=O)NC1(C(=O)N[C@H]2CCc3ncnn3C2)CCCCC1 ZINC000112650695 519642490 /nfs/dbraw/zinc/64/24/90/519642490.db2.gz ALPVWAKEKRBJKU-LBPRGKRZSA-N 0 0 305.382 0.548 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000191345638 519647049 /nfs/dbraw/zinc/64/70/49/519647049.db2.gz XOESOEJAYWLSIO-UHFFFAOYSA-N 0 0 315.251 0.389 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000191345838 519647723 /nfs/dbraw/zinc/64/77/23/519647723.db2.gz PEJIXEQOHJRGCN-UHFFFAOYSA-N 0 0 316.317 0.422 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCCn2cnc3ccccc32)C1 ZINC000189731536 519647893 /nfs/dbraw/zinc/64/78/93/519647893.db2.gz VVHOIKGNMDCOOA-UHFFFAOYSA-N 0 0 315.377 0.956 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000188558339 519649437 /nfs/dbraw/zinc/64/94/37/519649437.db2.gz CCJMXMZECGSHDZ-UHFFFAOYSA-N 0 0 300.355 0.952 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1C ZINC000117280686 519917642 /nfs/dbraw/zinc/91/76/42/519917642.db2.gz HOSYCFRYBGNNEB-CYBMUJFWSA-N 0 0 307.394 0.568 10 0 DCAERN CCOCCS(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000162164081 520057413 /nfs/dbraw/zinc/05/74/13/520057413.db2.gz ZXMKHVQUKQQAHJ-UHFFFAOYSA-N 0 0 302.400 0.539 10 0 DCAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)CCCF)CC2)n1 ZINC000175568367 534469810 /nfs/dbraw/zinc/46/98/10/534469810.db2.gz XCOGXEAEHPXODI-JTQLQIEISA-N 0 0 320.390 0.746 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@H]1CCOC1 ZINC000247498601 520542148 /nfs/dbraw/zinc/54/21/48/520542148.db2.gz NEAJHYQJVPULDX-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccnn1C)CC2 ZINC000161974308 520554074 /nfs/dbraw/zinc/55/40/74/520554074.db2.gz WWZNCUWGHAXBNW-KGLIPLIRSA-N 0 0 322.409 0.882 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)Cc1nnc(NC)s1 ZINC000184240805 520697817 /nfs/dbraw/zinc/69/78/17/520697817.db2.gz HSRZMFRNMABOCJ-MRVPVSSYSA-N 0 0 300.384 0.970 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)CNC(=O)c1cccnc1 ZINC000189797964 521218401 /nfs/dbraw/zinc/21/84/01/521218401.db2.gz HOZFKKFPLSCYGP-SNVBAGLBSA-N 0 0 319.283 0.583 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889919 521714410 /nfs/dbraw/zinc/71/44/10/521714410.db2.gz YQJCJEIKKDTHNL-CABCVRRESA-N 0 0 324.425 0.515 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000184935675 521740268 /nfs/dbraw/zinc/74/02/68/521740268.db2.gz MLJSFXFCIYIMEN-LLVKDONJSA-N 0 0 316.365 0.502 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000124581127 521857658 /nfs/dbraw/zinc/85/76/58/521857658.db2.gz VAZSZDSPJYDHMO-CMPLNLGQSA-N 0 0 310.375 0.262 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCC[C@@H](C)O)cc1 ZINC000228068110 521860001 /nfs/dbraw/zinc/86/00/01/521860001.db2.gz XLAJFZGNWWQZRR-SNVBAGLBSA-N 0 0 300.380 0.486 10 0 DCAERN COc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1C ZINC000116832943 522087974 /nfs/dbraw/zinc/08/79/74/522087974.db2.gz DPIDDHXWHJEHGJ-GFCCVEGCSA-N 0 0 312.391 0.767 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000364891667 522232607 /nfs/dbraw/zinc/23/26/07/522232607.db2.gz DKJNSNANCQASQI-GARJFASQSA-N 0 0 307.416 0.133 10 0 DCAERN CCc1nc(CC(=O)N2CCS(=O)(=O)[C@H](C)C2)cs1 ZINC000122165566 522252822 /nfs/dbraw/zinc/25/28/22/522252822.db2.gz GWLPOZNMRNUKFM-SECBINFHSA-N 0 0 302.421 0.894 10 0 DCAERN CN(CC1(CO)CC1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000189123529 522599126 /nfs/dbraw/zinc/59/91/26/522599126.db2.gz MWTJLTMVKJUHQG-UHFFFAOYSA-N 0 0 302.330 0.757 10 0 DCAERN Cc1cnc([C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000177944381 534648538 /nfs/dbraw/zinc/64/85/38/534648538.db2.gz CPHULZXSWNNSOK-QMMMGPOBSA-N 0 0 310.379 0.959 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc(C)cc2)C1 ZINC000185237106 522757125 /nfs/dbraw/zinc/75/71/25/522757125.db2.gz VLFNTPOKIKHMSL-UHFFFAOYSA-N 0 0 318.373 0.931 10 0 DCAERN COC(=O)C1(NC(=O)CN2CCOCC2=O)CCCCCC1 ZINC000365954192 522839311 /nfs/dbraw/zinc/83/93/11/522839311.db2.gz KICBQVUECALQQL-UHFFFAOYSA-N 0 0 312.366 0.227 10 0 DCAERN COc1cc(S(=O)(=O)N(CC(N)=O)CC(C)C)ccc1F ZINC000190511173 522894821 /nfs/dbraw/zinc/89/48/21/522894821.db2.gz YUZXAQGBTHRGKR-UHFFFAOYSA-N 0 0 318.370 0.966 10 0 DCAERN COCc1nc(C)cc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000266680243 523188989 /nfs/dbraw/zinc/18/89/89/523188989.db2.gz ACKBEQFTJSLAJG-SNVBAGLBSA-N 0 0 300.384 0.059 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1C[C@@H](C)O ZINC000189937080 523261840 /nfs/dbraw/zinc/26/18/40/523261840.db2.gz GFPLQUZEUFQRAN-KGLIPLIRSA-N 0 0 324.425 0.447 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CCO1 ZINC000128246921 523298406 /nfs/dbraw/zinc/29/84/06/523298406.db2.gz HATMRSLDLVEJTL-LLVKDONJSA-N 0 0 307.350 0.624 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000131237596 523312889 /nfs/dbraw/zinc/31/28/89/523312889.db2.gz NNCCQQPBAZJFBY-LBPRGKRZSA-N 0 0 306.366 0.715 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000364242619 523702243 /nfs/dbraw/zinc/70/22/43/523702243.db2.gz AVPDWEJHNLAIIG-WOSRLPQWSA-N 0 0 311.378 0.984 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]2C(C)C)cn1 ZINC000187158121 523900734 /nfs/dbraw/zinc/90/07/34/523900734.db2.gz SOCNEUMLWFQZCF-OLZOCXBDSA-N 0 0 308.382 0.876 10 0 DCAERN COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F ZINC000157478053 523908673 /nfs/dbraw/zinc/90/86/73/523908673.db2.gz VDSKXIAASQAKJH-SECBINFHSA-N 0 0 304.343 0.255 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126687785 523949044 /nfs/dbraw/zinc/94/90/44/523949044.db2.gz MIMROCVTOBZRQN-TZMCWYRMSA-N 0 0 313.423 0.585 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000134021175 523989557 /nfs/dbraw/zinc/98/95/57/523989557.db2.gz PMYMFWSEPFIHIJ-STQMWFEESA-N 0 0 303.362 0.111 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)CCC1=O ZINC000162902619 524010590 /nfs/dbraw/zinc/01/05/90/524010590.db2.gz YUWWQFOVZMMAJW-WDEREUQCSA-N 0 0 324.406 0.847 10 0 DCAERN COCCOCc1cc(C(=O)N2CC(NC(C)=O)C2)ccc1F ZINC000190469592 524027527 /nfs/dbraw/zinc/02/75/27/524027527.db2.gz RSYLTMBYJRKNAX-UHFFFAOYSA-N 0 0 324.352 0.949 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000159104396 524082428 /nfs/dbraw/zinc/08/24/28/524082428.db2.gz MRYOIYKWVLHNGF-HZMBPMFUSA-N 0 0 321.425 0.888 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000163642309 534764966 /nfs/dbraw/zinc/76/49/66/534764966.db2.gz RBRMLCAQLTXIEV-KOLCDFICSA-N 0 0 304.350 0.441 10 0 DCAERN COc1ccccc1CCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150743019 524397672 /nfs/dbraw/zinc/39/76/72/524397672.db2.gz YUODCOAOCLRDNC-UHFFFAOYSA-N 0 0 317.345 0.664 10 0 DCAERN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CC(CO)C2)cc1 ZINC000157018819 524429594 /nfs/dbraw/zinc/42/95/94/524429594.db2.gz DODZRPAYQGRQKR-HNNXBMFYSA-N 0 0 302.374 0.937 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000131601366 524568075 /nfs/dbraw/zinc/56/80/75/524568075.db2.gz HTYBTDHUVHVKQS-NEPJUHHUSA-N 0 0 305.378 0.863 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000176707657 524568612 /nfs/dbraw/zinc/56/86/12/524568612.db2.gz DETRGDRZKYFXOF-GFCCVEGCSA-N 0 0 318.377 0.415 10 0 DCAERN COc1ccccc1N1C[C@@H](C(=O)N2CC(CO)C2)CC1=O ZINC000157006564 524577113 /nfs/dbraw/zinc/57/71/13/524577113.db2.gz BHBJJSFZJFGFJE-LBPRGKRZSA-N 0 0 304.346 0.499 10 0 DCAERN C[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)CCS1(=O)=O ZINC000155602381 524984510 /nfs/dbraw/zinc/98/45/10/524984510.db2.gz IILAYXMVOWDSFH-SECBINFHSA-N 0 0 313.404 0.375 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)[C@@H](C)CO1 ZINC000246226681 525046247 /nfs/dbraw/zinc/04/62/47/525046247.db2.gz WJPDCAZHAOKOAW-OUCADQQQSA-N 0 0 314.407 0.664 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000368206064 525234132 /nfs/dbraw/zinc/23/41/32/525234132.db2.gz ZMFBARLIGSXUGJ-WUHRBBMRSA-N 0 0 318.439 0.802 10 0 DCAERN Cc1n[nH]cc1CCCNc1nccc(N[C@@H]2CCCOC2)n1 ZINC000328622273 534851132 /nfs/dbraw/zinc/85/11/32/534851132.db2.gz BBBXQWZVDOYONS-CQSZACIVSA-N 0 0 316.409 0.988 10 0 DCAERN C[S@@](=O)Cc1cccc(C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189399870 525369308 /nfs/dbraw/zinc/36/93/08/525369308.db2.gz FHWXBXHDAAYUJA-JOCHJYFZSA-N 0 0 320.414 0.916 10 0 DCAERN COc1ccc2[nH]cc(CC(=O)N[C@H]3CCC(=O)NC3=O)c2c1 ZINC000152217226 525490560 /nfs/dbraw/zinc/49/05/60/525490560.db2.gz GHYFMKGLCFBEEK-ZDUSSCGKSA-N 0 0 315.329 0.640 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254981 534891449 /nfs/dbraw/zinc/89/14/49/534891449.db2.gz ZGUDHQGWOPFQDT-HWPZZCPQSA-N 0 0 319.361 0.138 10 0 DCAERN C[C@H](C(=O)NCCC1=CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246451139 526041758 /nfs/dbraw/zinc/04/17/58/526041758.db2.gz LNOPSXSJBHREGM-UMVBOHGHSA-N 0 0 323.437 0.956 10 0 DCAERN C[C@@H](c1ccncc1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246463394 526152959 /nfs/dbraw/zinc/15/29/59/526152959.db2.gz OEZFDNPIGZPYFC-GXTWGEPZSA-N 0 0 304.394 0.798 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)[C@@H](C)CO)c(O)c1 ZINC000126848490 526159715 /nfs/dbraw/zinc/15/97/15/526159715.db2.gz FTMQDYCGNWGSIH-RYUDHWBXSA-N 0 0 308.378 0.954 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)N[C@H](C)[C@@H](C)CO)c(O)c1 ZINC000126848767 526160987 /nfs/dbraw/zinc/16/09/87/526160987.db2.gz FTMQDYCGNWGSIH-NWDGAFQWSA-N 0 0 308.378 0.954 10 0 DCAERN C[C@H](C(=O)Nc1ncccn1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155425075 526172453 /nfs/dbraw/zinc/17/24/53/526172453.db2.gz ILUOYWXOJKCPOA-SNVBAGLBSA-N 0 0 312.395 0.313 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)nn1C(C)(C)C ZINC000157448878 526261909 /nfs/dbraw/zinc/26/19/09/526261909.db2.gz MXQJJDVKNBQULG-PWSUYJOCSA-N 0 0 308.382 0.661 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186008603 526308288 /nfs/dbraw/zinc/30/82/88/526308288.db2.gz KCRKCNKGVBGJFR-CQSZACIVSA-N 0 0 312.391 0.626 10 0 DCAERN O=C(NC[C@@H]1CCC[C@H]1O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000266834658 526534560 /nfs/dbraw/zinc/53/45/60/526534560.db2.gz ZUMVARYPOALUEW-BFHYXJOUSA-N 0 0 319.409 0.906 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000330766710 526571567 /nfs/dbraw/zinc/57/15/67/526571567.db2.gz KWBAEUXLJUFQFQ-CYBMUJFWSA-N 0 0 305.382 0.512 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1c(F)ccc(F)c1F ZINC000127314684 526572450 /nfs/dbraw/zinc/57/24/50/526572450.db2.gz LQKVEPYCOOSHGN-VIFPVBQESA-N 0 0 318.295 0.527 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000330742095 526575891 /nfs/dbraw/zinc/57/58/91/526575891.db2.gz QCZNAMQVOUYKMY-VHSXEESVSA-N 0 0 321.299 0.277 10 0 DCAERN CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)o2)CC1 ZINC000330655539 526626528 /nfs/dbraw/zinc/62/65/28/526626528.db2.gz OAHRLSBAQGSIMD-UHFFFAOYSA-N 0 0 315.395 0.030 10 0 DCAERN Cc1nc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535642 526644649 /nfs/dbraw/zinc/64/46/49/526644649.db2.gz NTCVXCYSWNJKRO-ZWNOBZJWSA-N 0 0 320.393 0.179 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCn1cnnc1C(C)C ZINC000330956595 526678184 /nfs/dbraw/zinc/67/81/84/526678184.db2.gz UUJDOUZPNFSABO-LLVKDONJSA-N 0 0 311.411 0.439 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000111584326 526722334 /nfs/dbraw/zinc/72/23/34/526722334.db2.gz CAYUUVQMRNAPCA-UHFFFAOYSA-N 0 0 313.317 0.245 10 0 DCAERN O=C(CN1CSCC1=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127022411 526816893 /nfs/dbraw/zinc/81/68/93/526816893.db2.gz LVYHEWDDYLFVAL-LLVKDONJSA-N 0 0 309.395 0.050 10 0 DCAERN Cc1nc(CN2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)no1 ZINC000119138082 526863897 /nfs/dbraw/zinc/86/38/97/526863897.db2.gz OLMKADSTSXVSND-LLVKDONJSA-N 0 0 316.427 0.176 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000104902168 526932139 /nfs/dbraw/zinc/93/21/39/526932139.db2.gz HTFINNJSCBCKSW-UHFFFAOYSA-N 0 0 324.234 0.968 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(-n2ccnn2)cc1 ZINC000127517103 527073269 /nfs/dbraw/zinc/07/32/69/527073269.db2.gz CTKUVMVNIVNCJS-LBPRGKRZSA-N 0 0 309.333 0.604 10 0 DCAERN CN1C(=S)N=NC1CCNC(=O)c1cnn2c1CCCC2 ZINC000128134669 527079793 /nfs/dbraw/zinc/07/97/93/527079793.db2.gz PIAJRTSDCLIPIN-UHFFFAOYSA-N 0 0 306.395 0.609 10 0 DCAERN Cn1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cn1 ZINC000158897280 527159644 /nfs/dbraw/zinc/15/96/44/527159644.db2.gz ICZJOIURJYLGFD-STQMWFEESA-N 0 0 305.334 0.978 10 0 DCAERN O=S(=O)(Cc1ccccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000113298767 527198450 /nfs/dbraw/zinc/19/84/50/527198450.db2.gz FZNYTEJYFMSTBD-LLVKDONJSA-N 0 0 310.354 0.852 10 0 DCAERN O=S(=O)(c1cnc2ccsc2c1)N1CCO[C@H](CO)C1 ZINC000269881922 527293616 /nfs/dbraw/zinc/29/36/16/527293616.db2.gz WHAPBTOILWIBJL-VIFPVBQESA-N 0 0 314.388 0.678 10 0 DCAERN O=C(Nc1cccnc1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187982628 527446418 /nfs/dbraw/zinc/44/64/18/527446418.db2.gz MFDNLGRYPDHFIA-UHFFFAOYSA-N 0 0 322.752 0.411 10 0 DCAERN CCC[C@@H]1C[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000183823610 527834812 /nfs/dbraw/zinc/83/48/12/527834812.db2.gz GFUBJICOGPMIHT-FRRDWIJNSA-N 0 0 318.439 0.732 10 0 DCAERN CC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCC1 ZINC000175077896 527946599 /nfs/dbraw/zinc/94/65/99/527946599.db2.gz KMLJZBVSCUIECM-UHFFFAOYSA-N 0 0 301.346 0.996 10 0 DCAERN CC(C)[C@@H](C(=O)N(C)[C@H]1CCOC1)N1CCCS1(=O)=O ZINC000156062065 528350632 /nfs/dbraw/zinc/35/06/32/528350632.db2.gz ZBGHLHALWDNEQP-RYUDHWBXSA-N 0 0 304.412 0.294 10 0 DCAERN CC(C)n1nnnc1CSCc1cc(=O)n(C)c(=O)n1C ZINC000176896062 528702782 /nfs/dbraw/zinc/70/27/82/528702782.db2.gz YHSNEYALLGQRHN-UHFFFAOYSA-N 0 0 310.383 0.085 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CCC(=O)NC1CCCC1 ZINC000176563342 528703498 /nfs/dbraw/zinc/70/34/98/528703498.db2.gz CGQFTNGCJNHFAC-OAQYLSRUSA-N 0 0 313.427 0.952 10 0 DCAERN CCN(Cc1nnc(C)o1)[C@@H]1CN(c2nccc(C)n2)C[C@H]1O ZINC000328644553 528890866 /nfs/dbraw/zinc/89/08/66/528890866.db2.gz RUZZXMROIFUUDG-CHWSQXEVSA-N 0 0 318.381 0.548 10 0 DCAERN CC[C@H](C)OCC(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000299740063 529183890 /nfs/dbraw/zinc/18/38/90/529183890.db2.gz VFKFWQUGGKBGJS-WDEREUQCSA-N 0 0 309.370 0.356 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000299739879 529334441 /nfs/dbraw/zinc/33/44/41/529334441.db2.gz SPEOEGWLTVOXOC-UTUOFQBUSA-N 0 0 321.381 0.498 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NCCC(=O)NC(N)=O)c1 ZINC000457640154 536881403 /nfs/dbraw/zinc/88/14/03/536881403.db2.gz ZVWHZEDDCYSVDJ-UHFFFAOYSA-N 0 0 307.306 0.096 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592783 545649732 /nfs/dbraw/zinc/64/97/32/545649732.db2.gz QJGDNMAAQRIQSK-RKDXNWHRSA-N 0 0 315.370 0.682 10 0 DCAERN C[NH2+][C@@](C)(Cn1cc(I)cn1)C(=O)[O-] ZINC000070678596 545661571 /nfs/dbraw/zinc/66/15/71/545661571.db2.gz DQMHVQFQAPVWCT-QMMMGPOBSA-N 0 0 309.107 0.550 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000132908585 545795509 /nfs/dbraw/zinc/79/55/09/545795509.db2.gz BQXRBBRBTBYKFZ-UKRRQHHQSA-N 0 0 314.426 0.581 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccnc1 ZINC000173939960 545884756 /nfs/dbraw/zinc/88/47/56/545884756.db2.gz HBQSEXROGVBFNH-AAEUAGOBSA-N 0 0 311.407 0.725 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000178126169 545893441 /nfs/dbraw/zinc/89/34/41/545893441.db2.gz XWURXHHEWQTYCZ-UHFFFAOYSA-N 0 0 302.378 0.890 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCCNC(=O)C(C)C)C(C)C ZINC000179147800 545897658 /nfs/dbraw/zinc/89/76/58/545897658.db2.gz QZROHLBFDCOQOO-LLVKDONJSA-N 0 0 300.403 0.219 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cccc(-n2ccnn2)c1)C(C)C ZINC000179069619 545898373 /nfs/dbraw/zinc/89/83/73/545898373.db2.gz QVFHAVCSPVXIMK-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)C(=O)N1CCCC[C@@H]1C ZINC000182411046 545905435 /nfs/dbraw/zinc/90/54/35/545905435.db2.gz CHXANMWRPKBZPQ-STQMWFEESA-N 0 0 322.413 0.757 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnn2)C[C@H]1N1CCOCC1 ZINC000182477298 545905699 /nfs/dbraw/zinc/90/56/99/545905699.db2.gz YBZOUQDRVFEYAP-ZIAGYGMSSA-N 0 0 322.413 0.030 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000182403141 545905770 /nfs/dbraw/zinc/90/57/70/545905770.db2.gz GTDNGIMRMMBDPR-ZIAGYGMSSA-N 0 0 320.455 0.274 10 0 DCAERN O=C(N[C@H]1CCOC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183049174 545906666 /nfs/dbraw/zinc/90/66/66/545906666.db2.gz JBJXXZOGIOXYJT-AAEUAGOBSA-N 0 0 304.350 0.665 10 0 DCAERN COc1ccc2nc(CN3CCOC[C@H]3C(N)=O)sc2c1 ZINC000187394695 545915597 /nfs/dbraw/zinc/91/55/97/545915597.db2.gz UEUDRBXQIWPSID-NSHDSACASA-N 0 0 307.375 0.991 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)C(C)C ZINC000188726816 545918065 /nfs/dbraw/zinc/91/80/65/545918065.db2.gz KJBBAOCCUNWJKZ-DOMZBBRYSA-N 0 0 311.426 0.910 10 0 DCAERN C[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)N1CCOCC1 ZINC000189506473 545920740 /nfs/dbraw/zinc/92/07/40/545920740.db2.gz RLPMFGKYXSIEBM-GFCCVEGCSA-N 0 0 315.373 0.979 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000191904066 545926769 /nfs/dbraw/zinc/92/67/69/545926769.db2.gz ACPGKFCRVMBIOR-LLVKDONJSA-N 0 0 322.796 0.956 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000193918528 545931032 /nfs/dbraw/zinc/93/10/32/545931032.db2.gz SDPYIDBTFCPRRK-DTWKUNHWSA-N 0 0 309.395 0.926 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000250329023 545973239 /nfs/dbraw/zinc/97/32/39/545973239.db2.gz BYUDCBQEWPCXSE-QWRGUYRKSA-N 0 0 312.395 0.192 10 0 DCAERN COc1nc(N2C[C@@H](OC)C[C@H]2CO)ncc1Br ZINC000311048365 546022859 /nfs/dbraw/zinc/02/28/59/546022859.db2.gz WNYQXFRAWRCHOZ-YUMQZZPRSA-N 0 0 318.171 0.834 10 0 DCAERN Cc1nc(C)c(Br)c(N2CCOC[C@@H]2C(N)=O)n1 ZINC000323189435 546037157 /nfs/dbraw/zinc/03/71/57/546037157.db2.gz MBZMRESZCAWVGT-MRVPVSSYSA-N 0 0 315.171 0.546 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)N1CCOCC1 ZINC000332754627 546059236 /nfs/dbraw/zinc/05/92/36/546059236.db2.gz FSSPRRAAXFIHKK-RYUDHWBXSA-N 0 0 315.439 0.135 10 0 DCAERN Cn1cc([C@H](NC(=O)[C@@H]2CCC(=O)N2C)C(F)(F)F)cn1 ZINC000357410206 546187768 /nfs/dbraw/zinc/18/77/68/546187768.db2.gz SNOQQSXHZKTLSF-WPRPVWTQSA-N 0 0 304.272 0.761 10 0 DCAERN O=S1(=O)CC(CCNc2ncc(Br)cn2)C1 ZINC000381360441 546215500 /nfs/dbraw/zinc/21/55/00/546215500.db2.gz DWQAIXKABITZPZ-UHFFFAOYSA-N 0 0 306.185 0.508 10 0 DCAERN C[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000384801026 546216841 /nfs/dbraw/zinc/21/68/41/546216841.db2.gz XZBGLWNBKYVAAT-WOPDTQHZSA-N 0 0 304.412 0.172 10 0 DCAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000401963649 546225885 /nfs/dbraw/zinc/22/58/85/546225885.db2.gz QWUJZUQPKKOIOI-IJLUTSLNSA-N 0 0 304.412 0.030 10 0 DCAERN COC1(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CCOCC1 ZINC000583644382 546301945 /nfs/dbraw/zinc/30/19/45/546301945.db2.gz BIJLYCYYUFLXMS-UHFFFAOYSA-N 0 0 317.349 0.925 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)[N@H+](C)C1 ZINC000671447831 547215249 /nfs/dbraw/zinc/21/52/49/547215249.db2.gz JDIFCILYUIJABY-ONGXEEELSA-N 0 0 302.338 0.524 10 0 DCAERN CN1[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256649 548748935 /nfs/dbraw/zinc/74/89/35/548748935.db2.gz ZVHTYKVZQBHOSN-CYBMUJFWSA-N 0 0 318.395 0.600 10 0 DCAERN C[C@H]1CN(Cc2cnc(N)s2)CC[C@H]1NS(C)(=O)=O ZINC000725273106 548750239 /nfs/dbraw/zinc/75/02/39/548750239.db2.gz ZATWXYFBDXJOQN-WCBMZHEXSA-N 0 0 304.441 0.485 10 0 DCAERN COC(=O)c1nc(C(=O)NCC2([S@](C)=O)CC2)cs1 ZINC000721388328 660817652 /nfs/dbraw/zinc/81/76/52/660817652.db2.gz KMLIRHLKJFWICH-IBGZPJMESA-N 0 0 302.377 0.571 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc2c([nH]1)CCOC2 ZINC000888094654 661162341 /nfs/dbraw/zinc/16/23/41/661162341.db2.gz HLBBOSWDBDRCAS-ZIAGYGMSSA-N 0 0 306.362 0.747 10 0 DCAERN COc1cccc(=NNC(=O)[C@@H](C)NC(=O)c2ccco2)[nH]1 ZINC000180692068 665451457 /nfs/dbraw/zinc/45/14/57/665451457.db2.gz RIPQPRVHTRSONW-SECBINFHSA-N 0 0 304.306 0.945 10 0 DCAERN CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000049499668 657469298 /nfs/dbraw/zinc/46/92/98/657469298.db2.gz WVDWEXRWUJMUPE-SECBINFHSA-N 0 0 314.363 0.276 10 0 DCAERN C[C@H](CCO)NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000255106761 657491874 /nfs/dbraw/zinc/49/18/74/657491874.db2.gz ZLMKYRVSIKCGNG-UIJKISKDSA-N 0 0 312.391 0.958 10 0 DCAERN CCCN(CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)CC(=O)NC ZINC000255108490 657528744 /nfs/dbraw/zinc/52/87/44/657528744.db2.gz MLOOGALJKFHWJY-GFCCVEGCSA-N 0 0 321.425 0.673 10 0 DCAERN COC(=O)c1cncc(NCC(C)(C)CS(C)(=O)=O)n1 ZINC000723873630 657690806 /nfs/dbraw/zinc/69/08/06/657690806.db2.gz IQIUJQYKGGHLKD-UHFFFAOYSA-N 0 0 301.368 0.746 10 0 DCAERN COC(=O)[C@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255140825 657761745 /nfs/dbraw/zinc/76/17/45/657761745.db2.gz CPKYNQGKVRLKMZ-VXGBXAGGSA-N 0 0 322.409 0.955 10 0 DCAERN CCc1nc(CNCC[C@H]2CNCCS2(=O)=O)cs1 ZINC000725038225 658043599 /nfs/dbraw/zinc/04/35/99/658043599.db2.gz UFXHFTDHVLMREP-NSHDSACASA-N 0 0 303.453 0.572 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2c(C)csc2C)C1 ZINC000725102413 658138099 /nfs/dbraw/zinc/13/80/99/658138099.db2.gz CHSKCWNTBJWEFE-UHFFFAOYSA-N 0 0 305.377 0.273 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000065529870 658234192 /nfs/dbraw/zinc/23/41/92/658234192.db2.gz ZJDCGLHJBFPNOI-JQWIXIFHSA-N 0 0 314.349 0.388 10 0 DCAERN CS(=O)(=O)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000247528802 658334782 /nfs/dbraw/zinc/33/47/82/658334782.db2.gz OCDBFKLZHQHTQE-UHFFFAOYSA-N 0 0 312.391 0.896 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCCC(F)(F)F)c(=O)n(C)c1=O ZINC000255619348 658376022 /nfs/dbraw/zinc/37/60/22/658376022.db2.gz VTQLLMDLJMTIJX-PLNGDYQASA-N 0 0 320.267 0.983 10 0 DCAERN CNC(=O)[C@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255628281 658418470 /nfs/dbraw/zinc/41/84/70/658418470.db2.gz SDWYAPJGZCWQCL-WCQYABFASA-N 0 0 319.409 0.425 10 0 DCAERN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000260935666 658428204 /nfs/dbraw/zinc/42/82/04/658428204.db2.gz XZXGTVFKYCBEDP-SECBINFHSA-N 0 0 307.368 0.584 10 0 DCAERN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)nc1 ZINC000724549109 658449030 /nfs/dbraw/zinc/44/90/30/658449030.db2.gz YGSNHTFDLNXJSC-KKZNHRDASA-N 0 0 318.782 0.817 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000179398827 658493240 /nfs/dbraw/zinc/49/32/40/658493240.db2.gz BNQFRVYAJUNULD-HNNXBMFYSA-N 0 0 305.378 0.784 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCS(=O)(=O)[C@H](C)C2)C1=O ZINC000247109723 658628839 /nfs/dbraw/zinc/62/88/39/658628839.db2.gz OYLJNAUJCYSNIS-BXUZGUMPSA-N 0 0 316.423 0.484 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC=C2C(=O)NC(=O)c3ccccc32)C1 ZINC000255066784 658759740 /nfs/dbraw/zinc/75/97/40/658759740.db2.gz CQFDORWCTXBPNC-MGPVMZAGSA-N 0 0 313.357 0.931 10 0 DCAERN NC(=O)NCCNC(=O)c1cccc(Br)c1F ZINC000236228202 658829060 /nfs/dbraw/zinc/82/90/60/658829060.db2.gz XAPLWGDBQSGMFG-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN Cc1ccn2ncc(C(=O)O[C@H](C)CN3CCOCC3)c2n1 ZINC000181655942 665640296 /nfs/dbraw/zinc/64/02/96/665640296.db2.gz AXPIRJIWMXLEKK-GFCCVEGCSA-N 0 0 304.350 0.915 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000075977731 665642170 /nfs/dbraw/zinc/64/21/70/665642170.db2.gz TXVYZTJNJRFWRR-PWSUYJOCSA-N 0 0 303.428 0.898 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000182821150 659142332 /nfs/dbraw/zinc/14/23/32/659142332.db2.gz FOHYAWBXNCCWIM-HNNXBMFYSA-N 0 0 305.334 0.440 10 0 DCAERN C[C@@H]1CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C[C@H]1CO ZINC000189338771 659362276 /nfs/dbraw/zinc/36/22/76/659362276.db2.gz QFVHAUYBUKTTEJ-MNOVXSKESA-N 0 0 306.428 0.470 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccc(-n3ccnc3)nc2)c1 ZINC000190754728 659373231 /nfs/dbraw/zinc/37/32/31/659373231.db2.gz AOCGBFFXOZQKSU-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN COc1ccc([C@@H](C)NS(=O)(=O)C2C[NH2+]C2)cc1OC ZINC000722225696 659386575 /nfs/dbraw/zinc/38/65/75/659386575.db2.gz RLHGJRVJWLLOHQ-SECBINFHSA-N 0 0 300.380 0.656 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCC[S@](=O)C(C)(C)C)C(C)C ZINC000178437335 659523878 /nfs/dbraw/zinc/52/38/78/659523878.db2.gz YVDCRRYINMSYLL-SBKAZYGRSA-N 0 0 305.444 0.603 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC2(CO)CCC2)[C@@H]1c1cccnc1 ZINC000182301334 665775623 /nfs/dbraw/zinc/77/56/23/665775623.db2.gz GMEGHEFQIMKMKC-ZFWWWQNUSA-N 0 0 317.389 0.880 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1cccs1 ZINC000124897287 668159390 /nfs/dbraw/zinc/15/93/90/668159390.db2.gz KOJZNTOTVNPBMC-SNVBAGLBSA-N 0 0 302.421 0.184 10 0 DCAERN Cc1ncoc1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000894508924 661975549 /nfs/dbraw/zinc/97/55/49/661975549.db2.gz GLHCHPSTMSTSIC-GFCCVEGCSA-N 0 0 303.366 0.835 10 0 DCAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN2CCOC[C@H]2C(N)=O)C1 ZINC000894669931 661991850 /nfs/dbraw/zinc/99/18/50/661991850.db2.gz ARHMKNZZQRGPJV-TUAOUCFPSA-N 0 0 313.398 0.476 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)OCCCS(C)(=O)=O)cn1 ZINC000728622960 662408116 /nfs/dbraw/zinc/40/81/16/662408116.db2.gz ZMDMYIDPVIYXQJ-UHFFFAOYSA-N 0 0 316.379 0.799 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][nH]3)C2)O1 ZINC000898225166 662944933 /nfs/dbraw/zinc/94/49/33/662944933.db2.gz DAWJNFOWPSJZKW-ZMLRMANQSA-N 0 0 322.365 0.067 10 0 DCAERN COc1ccc(C[C@H](C)NC(=S)NCC(N)=O)cc1OC ZINC000730153609 663049268 /nfs/dbraw/zinc/04/92/68/663049268.db2.gz IVFGFLOLKSDEFO-VIFPVBQESA-N 0 0 311.407 0.584 10 0 DCAERN CO[C@@]1(C(=O)N2CC[C@@H](n3cc(C4CC4)nn3)C2)CCOC1 ZINC000899083531 663122964 /nfs/dbraw/zinc/12/29/64/663122964.db2.gz BUCFZHVHMOEESI-DOMZBBRYSA-N 0 0 306.366 0.734 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCS(=O)(=O)C[C@@H]2C)[nH]1 ZINC000435447905 663197852 /nfs/dbraw/zinc/19/78/52/663197852.db2.gz IZPSXOVDRJKSAG-QMMMGPOBSA-N 0 0 308.363 0.525 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(Br)cc2)C1 ZINC000042319228 663222728 /nfs/dbraw/zinc/22/27/28/663222728.db2.gz FRULIPVVBAWJII-GHMZBOCLSA-N 0 0 320.208 0.697 10 0 DCAERN O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000900251985 663229680 /nfs/dbraw/zinc/22/96/80/663229680.db2.gz PBHVPCSQUXLANQ-SYQHCUMBSA-N 0 0 306.366 0.758 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000900668374 663268508 /nfs/dbraw/zinc/26/85/08/663268508.db2.gz AKKVEVQUMMJNNV-CQSZACIVSA-N 0 0 320.393 0.453 10 0 DCAERN COC[C@@](C)(NC(=O)c1ccnc2[nH]c(C)nc21)C(=O)OC ZINC000436184122 663432394 /nfs/dbraw/zinc/43/23/94/663432394.db2.gz SUODWUASZRANQI-CQSZACIVSA-N 0 0 306.322 0.574 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)CC(=O)OC)CC2)n1 ZINC000906586300 663621935 /nfs/dbraw/zinc/62/19/35/663621935.db2.gz HSUFKCYULKSBQD-UHFFFAOYSA-N 0 0 308.338 0.087 10 0 DCAERN Cc1nc2c(nccc2C(=O)N[C@@H](CO)Cc2ccncc2)[nH]1 ZINC000437189001 663673585 /nfs/dbraw/zinc/67/35/85/663673585.db2.gz JYGWPZMAMBUTBE-GFCCVEGCSA-N 0 0 311.345 0.995 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)C1 ZINC000907643903 663709497 /nfs/dbraw/zinc/70/94/97/663709497.db2.gz RINKHYJWZHMPRR-OAHLLOKOSA-N 0 0 312.366 0.224 10 0 DCAERN COc1ccc(O)c(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000909160198 663782756 /nfs/dbraw/zinc/78/27/56/663782756.db2.gz WRXVWQMDPFRUJO-MRVWCRGKSA-N 0 0 303.318 0.702 10 0 DCAERN Cc1nn(CC(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)c(C)c1Cl ZINC000909161125 663784797 /nfs/dbraw/zinc/78/47/97/663784797.db2.gz CNDYQMACFCXQTH-GYSYKLTISA-N 0 0 323.784 0.841 10 0 DCAERN O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000909194365 663786446 /nfs/dbraw/zinc/78/64/46/663786446.db2.gz BJBSRJSKJHHTRY-INWMFGNUSA-N 0 0 315.377 0.449 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2Br)N(C)C1 ZINC000912189728 664149830 /nfs/dbraw/zinc/14/98/30/664149830.db2.gz AYOSZIHVRWVAIB-XPUUQOCRSA-N 0 0 303.160 0.830 10 0 DCAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CCOC[C@@H]1CO ZINC000912427352 664175158 /nfs/dbraw/zinc/17/51/58/664175158.db2.gz JHPWUVYQWFOZFJ-NSHDSACASA-N 0 0 323.374 0.950 10 0 DCAERN Cn1cc(O[C@@H]2CN(C(=O)c3nccnc3Cl)C[C@H]2O)cn1 ZINC000912971300 664252328 /nfs/dbraw/zinc/25/23/28/664252328.db2.gz LPCUXBGTJVOWMI-NXEZZACHSA-N 0 0 323.740 0.128 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913089739 664267262 /nfs/dbraw/zinc/26/72/62/664267262.db2.gz KNXSNVJAEPNJHF-GFQSEFKGSA-N 0 0 321.377 0.792 10 0 DCAERN Cc1c(CC(=O)N2CCN(c3ccccn3)CC2)nc[nH]c1=O ZINC000222946642 664396581 /nfs/dbraw/zinc/39/65/81/664396581.db2.gz UKEYXDNPORTNBZ-UHFFFAOYSA-N 0 0 313.361 0.365 10 0 DCAERN CNC(=O)CCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1 ZINC000223323978 664407462 /nfs/dbraw/zinc/40/74/62/664407462.db2.gz SVPYFWBZTZJQGZ-UHFFFAOYSA-N 0 0 317.320 0.843 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000157093251 664412886 /nfs/dbraw/zinc/41/28/86/664412886.db2.gz QBVPMESEUXFYOU-XCBNKYQSSA-N 0 0 302.327 0.380 10 0 DCAERN O=C(N[C@@H](CO)Cc1ccccc1)c1nn2c(c1F)OCC2 ZINC000223844161 664424088 /nfs/dbraw/zinc/42/40/88/664424088.db2.gz NNZZJSSDKCQYAP-LLVKDONJSA-N 0 0 305.309 0.748 10 0 DCAERN Cc1nc(NCCCN2CCOCC2)c2c(n1)N[C@H](C)C(=O)N2 ZINC000224023632 664428526 /nfs/dbraw/zinc/42/85/26/664428526.db2.gz XXCROSLNCVHOPO-SNVBAGLBSA-N 0 0 320.397 0.672 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCN1CCCCC1=O ZINC000735099544 666952407 /nfs/dbraw/zinc/95/24/07/666952407.db2.gz IJAAURMQRIVGJI-HXUWFJFHSA-N 0 0 303.428 0.457 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)N1CCC[C@@H](O)C1 ZINC000046099390 664482363 /nfs/dbraw/zinc/48/23/63/664482363.db2.gz BGBXUTXBWJGMHI-CYBMUJFWSA-N 0 0 301.350 0.934 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNc1nnc(C(F)F)s1 ZINC000721725250 664497463 /nfs/dbraw/zinc/49/74/63/664497463.db2.gz NLEPWXHNMMMKQB-ZCFIWIBFSA-N 0 0 312.367 0.664 10 0 DCAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCO[C@@H](CO)C1 ZINC000167547840 664499545 /nfs/dbraw/zinc/49/95/45/664499545.db2.gz ZRBNERAMBGFEHN-OLZOCXBDSA-N 0 0 306.387 0.768 10 0 DCAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCOC[C@@H]1CO ZINC000168460004 664523804 /nfs/dbraw/zinc/52/38/04/664523804.db2.gz YIGSDPJQMRKMNN-STQMWFEESA-N 0 0 306.387 0.768 10 0 DCAERN O=S(=O)(c1ccc(F)cc1Cl)N1CCOC[C@H]1CO ZINC000168663921 664527557 /nfs/dbraw/zinc/52/75/57/664527557.db2.gz IQPUJVSSVDSCTD-SECBINFHSA-N 0 0 309.746 0.861 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C ZINC000227813537 664539130 /nfs/dbraw/zinc/53/91/30/664539130.db2.gz BPWBDGZGCIEDCV-GZMMTYOYSA-N 0 0 302.327 0.650 10 0 DCAERN CC(=O)NC[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000172210701 664617815 /nfs/dbraw/zinc/61/78/15/664617815.db2.gz MCIAMIFZSXLOHD-JOZWUWCOSA-N 0 0 324.402 0.824 10 0 DCAERN COc1ccc(CCNC(=O)[C@@H]2COC(=O)N2C)cc1OC ZINC000062632722 664622173 /nfs/dbraw/zinc/62/21/73/664622173.db2.gz NACHFWDTZQECPS-NSHDSACASA-N 0 0 308.334 0.813 10 0 DCAERN COC1CC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000230725538 664623987 /nfs/dbraw/zinc/62/39/87/664623987.db2.gz WDFDWWMJNHYXRX-UHFFFAOYSA-N 0 0 318.782 0.895 10 0 DCAERN Cc1oc(C)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1C(=O)[O-] ZINC000062966762 664625057 /nfs/dbraw/zinc/62/50/57/664625057.db2.gz DSSCXAFXRBPXBU-JTQLQIEISA-N 0 0 316.379 0.919 10 0 DCAERN O=c1c2ccccc2nnn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172960565 664626056 /nfs/dbraw/zinc/62/60/56/664626056.db2.gz ZYPIVAXIMPXUJU-CYBMUJFWSA-N 0 0 315.377 0.156 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000730307582 664681778 /nfs/dbraw/zinc/68/17/78/664681778.db2.gz CNNLBYYKYNAMSZ-GHMZBOCLSA-N 0 0 302.396 0.564 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCCC[C@@H]1C ZINC000730307788 664682079 /nfs/dbraw/zinc/68/20/79/664682079.db2.gz CRTCQQMXMCFLAK-CMPLNLGQSA-N 0 0 314.407 0.852 10 0 DCAERN CCCn1cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)cn1 ZINC000153229795 664804989 /nfs/dbraw/zinc/80/49/89/664804989.db2.gz AENPWMCHYKSGEK-LBPRGKRZSA-N 0 0 323.397 0.069 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000741421852 664838030 /nfs/dbraw/zinc/83/80/30/664838030.db2.gz RFEQTRHOSLNYBD-LRTDBIEQSA-N 0 0 317.455 0.261 10 0 DCAERN CN(C)C(=O)CNC(=S)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000731570078 664871824 /nfs/dbraw/zinc/87/18/24/664871824.db2.gz KVKUXZOSZHVCJP-GFCCVEGCSA-N 0 0 320.418 0.344 10 0 DCAERN C[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000731737566 664881293 /nfs/dbraw/zinc/88/12/93/664881293.db2.gz JDOKTGFDJQUOFQ-JTQLQIEISA-N 0 0 306.318 0.609 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CNC(=O)N2)c1C ZINC000732361940 664921996 /nfs/dbraw/zinc/92/19/96/664921996.db2.gz OARUDXAFLCFRBY-SECBINFHSA-N 0 0 307.306 0.241 10 0 DCAERN COc1cccc([C@H](C)OC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000174851111 665138631 /nfs/dbraw/zinc/13/86/31/665138631.db2.gz YLSBAACABWSUAW-NSHDSACASA-N 0 0 318.329 0.860 10 0 DCAERN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CSC(=O)N1 ZINC000155119579 665242829 /nfs/dbraw/zinc/24/28/29/665242829.db2.gz CHIIQBMNNNZBKL-LLVKDONJSA-N 0 0 303.347 0.709 10 0 DCAERN C[C@H](OC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)C(N)=O ZINC000175372170 665323243 /nfs/dbraw/zinc/32/32/43/665323243.db2.gz JACKUWLDAPZNRX-GXSJLCMTSA-N 0 0 310.375 0.699 10 0 DCAERN O=C(NC1(CO)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183312815 666020932 /nfs/dbraw/zinc/02/09/32/666020932.db2.gz FRFYRCJNJIEMQP-GFCCVEGCSA-N 0 0 305.290 0.729 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CSC(=O)N2)CC[S@]1=O ZINC000183873171 666130026 /nfs/dbraw/zinc/13/00/26/666130026.db2.gz RRJZXKCUBPARPC-ZRNGKTOUSA-N 0 0 304.437 0.961 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC000357294815 666150742 /nfs/dbraw/zinc/15/07/42/666150742.db2.gz AYMGRHJJQFODMT-CHWSQXEVSA-N 0 0 313.423 0.283 10 0 DCAERN O=C1c2cccc(F)c2N(CN2CCO[C@]3(CCOC3)C2)C1=O ZINC000184278245 666193576 /nfs/dbraw/zinc/19/35/76/666193576.db2.gz HDGLVBIOUSOSLI-MRXNPFEDSA-N 0 0 320.320 0.804 10 0 DCAERN C[C@@H]1CN(C(=O)NCCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000185009856 666318550 /nfs/dbraw/zinc/31/85/50/666318550.db2.gz PNXBTACBWQDTJW-HIFRSBDPSA-N 0 0 321.425 0.325 10 0 DCAERN C#CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000073086066 666560335 /nfs/dbraw/zinc/56/03/35/666560335.db2.gz YNRBOIQDUXLVMW-UHFFFAOYSA-N 0 0 301.346 0.601 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)c1 ZINC000186103957 666679646 /nfs/dbraw/zinc/67/96/46/666679646.db2.gz ATIXSEDVNQAHPO-UONOGXRCSA-N 0 0 314.345 0.912 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000733899284 666824567 /nfs/dbraw/zinc/82/45/67/666824567.db2.gz FHDPFOQZHGRFCY-LJQANCHMSA-N 0 0 321.420 0.751 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000733900117 666824794 /nfs/dbraw/zinc/82/47/94/666824794.db2.gz UKICPVXRSVIXKK-IBGZPJMESA-N 0 0 319.404 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000733962319 666832253 /nfs/dbraw/zinc/83/22/53/666832253.db2.gz LFVDPIUGYUJLQL-IBGZPJMESA-N 0 0 317.432 0.897 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000733963297 666832570 /nfs/dbraw/zinc/83/25/70/666832570.db2.gz DBYFXBJJIRVBGN-CFMSYZGJSA-N 0 0 320.480 0.819 10 0 DCAERN CCOC(=O)N1CCC[C@@H](C(=O)NCC[S@](=O)CC)C1 ZINC000733963178 666832707 /nfs/dbraw/zinc/83/27/07/666832707.db2.gz VSYTUPANNLXCJD-BIBXISHDSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000733962758 666832820 /nfs/dbraw/zinc/83/28/20/666832820.db2.gz NHFQVJWBALPKSL-NYHFZMIOSA-N 0 0 322.430 0.845 10 0 DCAERN CC(C)(C)n1cc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000448511877 666851676 /nfs/dbraw/zinc/85/16/76/666851676.db2.gz IUAIWBUKSOXTLP-QMMMGPOBSA-N 0 0 322.287 0.616 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1nnc2n1CCCCC2 ZINC000735089804 666949825 /nfs/dbraw/zinc/94/98/25/666949825.db2.gz FFVBVKQNJNIWLC-OAQYLSRUSA-N 0 0 313.427 0.572 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000735109681 666950077 /nfs/dbraw/zinc/95/00/77/666950077.db2.gz FFHSYFOASWHCGO-YUNKPMOVSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000735095975 666951922 /nfs/dbraw/zinc/95/19/22/666951922.db2.gz MBRNGIXCFZAJIM-CFMSYZGJSA-N 0 0 305.400 0.285 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000735110985 666954869 /nfs/dbraw/zinc/95/48/69/666954869.db2.gz PHVLTMMCRVSZIK-GTJPDFRWSA-N 0 0 315.439 0.551 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccnnc2)C1 ZINC000702821256 667000712 /nfs/dbraw/zinc/00/07/12/667000712.db2.gz YBLBMIQPUDJWQM-NEPJUHHUSA-N 0 0 322.365 0.434 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC(NS(C)(=O)=O)C2)n1 ZINC000703184755 667065428 /nfs/dbraw/zinc/06/54/28/667065428.db2.gz RFZCFUCQRNLEBT-UHFFFAOYSA-N 0 0 320.802 0.404 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000736018254 667081491 /nfs/dbraw/zinc/08/14/91/667081491.db2.gz DIAKXWAXEWHSNT-AWEZNQCLSA-N 0 0 313.361 0.894 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCc2cncn2C)cn1 ZINC000862923452 667093236 /nfs/dbraw/zinc/09/32/36/667093236.db2.gz XVVIUWHDNXPGPW-UONOGXRCSA-N 0 0 319.365 0.049 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C2(O)CCSCC2)C[C@H]1C ZINC000119517312 667153656 /nfs/dbraw/zinc/15/36/56/667153656.db2.gz JLYPDZFDOWBCQD-VXGBXAGGSA-N 0 0 302.440 0.158 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2nocc2C)cn1 ZINC000864871445 667291096 /nfs/dbraw/zinc/29/10/96/667291096.db2.gz CWVSOQUXYKKPLL-NWDGAFQWSA-N 0 0 306.322 0.776 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)CCS(=O)(=O)CC)C1 ZINC000120645273 667334916 /nfs/dbraw/zinc/33/49/16/667334916.db2.gz UJKPRIWJTOGWQA-GFCCVEGCSA-N 0 0 305.444 0.547 10 0 DCAERN C[C@@H]1CN(c2cnc(Br)cn2)CCS1(=O)=O ZINC000707422978 667438779 /nfs/dbraw/zinc/43/87/79/667438779.db2.gz GKWPKOBJUMVXPF-SSDOTTSWSA-N 0 0 306.185 0.862 10 0 DCAERN COc1ncc(S(=O)(=O)N2CCNC(=O)CC2(C)C)s1 ZINC000708149229 667442094 /nfs/dbraw/zinc/44/20/94/667442094.db2.gz OIYJITGRIFDMRC-UHFFFAOYSA-N 0 0 319.408 0.441 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708892065 667443878 /nfs/dbraw/zinc/44/38/78/667443878.db2.gz FPNCDFQZZLSSQP-ZJUUUORDSA-N 0 0 319.408 0.058 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC000711433888 667464632 /nfs/dbraw/zinc/46/46/32/667464632.db2.gz WVGUBWHQWJOMMH-NSHDSACASA-N 0 0 305.396 0.961 10 0 DCAERN COC(=O)C1(NC(=O)Cn2ccc([C@@H](C)O)n2)CCCCC1 ZINC000133749178 667476719 /nfs/dbraw/zinc/47/67/19/667476719.db2.gz ILDCOIXFYXSNEV-LLVKDONJSA-N 0 0 309.366 0.929 10 0 DCAERN Cc1ccc(Br)c(N2CC[C@@](O)(C(N)=O)C2)n1 ZINC000712331585 667626970 /nfs/dbraw/zinc/62/69/70/667626970.db2.gz BDZDWSGRYJHWPR-NSHDSACASA-N 0 0 300.156 0.579 10 0 DCAERN C[C@@H](O)[C@@H](O)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000717319361 667556454 /nfs/dbraw/zinc/55/64/54/667556454.db2.gz CMYQZBCIVSBEDL-KCJUWKMLSA-N 0 0 307.799 0.575 10 0 DCAERN Cn1c2ccccc2n(CN2CCCS(=O)(=O)CC2)c1=O ZINC000742151859 667600748 /nfs/dbraw/zinc/60/07/48/667600748.db2.gz PNIGFPJAEGHGFM-UHFFFAOYSA-N 0 0 309.391 0.418 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@H]1C(F)(F)F ZINC000739591632 667709248 /nfs/dbraw/zinc/70/92/48/667709248.db2.gz WLESLHNVPZKQSM-BDAKNGLRSA-N 0 0 312.313 0.698 10 0 DCAERN COC1(CC(=O)N2CCC[C@](O)(Cc3nncn3C)C2)CCC1 ZINC000886084845 667730378 /nfs/dbraw/zinc/73/03/78/667730378.db2.gz LGFXGINTULBAEB-HNNXBMFYSA-N 0 0 322.409 0.670 10 0 DCAERN C[C@@H](O)[C@H](O)CNc1ncc(I)cn1 ZINC000717387673 667743462 /nfs/dbraw/zinc/74/34/62/667743462.db2.gz SZVPKFYTVXJKTF-IYSWYEEDSA-N 0 0 309.107 0.235 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Br)ccc1O ZINC000717385395 667744095 /nfs/dbraw/zinc/74/40/95/667744095.db2.gz MNUQCVXRPSNKHU-LDWIPMOCSA-N 0 0 304.140 0.626 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000740916473 667754313 /nfs/dbraw/zinc/75/43/13/667754313.db2.gz DHXZUVGHYXOVOZ-ADWYPQAOSA-N 0 0 324.468 0.410 10 0 DCAERN CCOc1ccc(F)c(C(=O)O[C@@H](C)C(=O)NC(N)=O)c1N ZINC000741041109 667757514 /nfs/dbraw/zinc/75/75/14/667757514.db2.gz OQIMSEDTHPWCNQ-LURJTMIESA-N 0 0 313.285 0.547 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000741421397 667770915 /nfs/dbraw/zinc/77/09/15/667770915.db2.gz QDMUGUAKPGSJKZ-BIBXISHDSA-N 0 0 304.412 0.740 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)Cc1ccccc1Br ZINC000717416698 667789992 /nfs/dbraw/zinc/78/99/92/667789992.db2.gz ITRNDKDBDNXRHP-KCJUWKMLSA-N 0 0 302.168 0.850 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccn(CCCOC)n1 ZINC000743170387 667804535 /nfs/dbraw/zinc/80/45/35/667804535.db2.gz BGBXUNXSYJMJRH-HXUWFJFHSA-N 0 0 302.400 0.810 10 0 DCAERN COCCn1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c(C)n1 ZINC000887005773 667833351 /nfs/dbraw/zinc/83/33/51/667833351.db2.gz KFZDPCGRNHKWAN-ZIAGYGMSSA-N 0 0 323.393 0.498 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCCO3)CCO1 ZINC000747780460 667912023 /nfs/dbraw/zinc/91/20/23/667912023.db2.gz KNJGJRFYIXHABI-XBPVQUQDSA-N 0 0 318.329 0.184 10 0 DCAERN CCOC(=O)CN1CCC(COC(=O)c2ccnn2C)CC1 ZINC000124820393 668146917 /nfs/dbraw/zinc/14/69/17/668146917.db2.gz VMQXDSVQLJJFFD-UHFFFAOYSA-N 0 0 309.366 0.852 10 0 DCAERN CC(C)CN(CC(C)C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126502821 668615270 /nfs/dbraw/zinc/61/52/70/668615270.db2.gz RETDXQKRNLFXOY-CYBMUJFWSA-N 0 0 304.456 0.904 10 0 DCAERN C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126576527 668626818 /nfs/dbraw/zinc/62/68/18/668626818.db2.gz NTLTVPCHQUNFKP-GXTWGEPZSA-N 0 0 310.419 0.983 10 0 DCAERN CC1(C)CCCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126860072 668672049 /nfs/dbraw/zinc/67/20/49/668672049.db2.gz NMDWVYRMTJAYEO-NWDGAFQWSA-N 0 0 302.440 0.848 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115089 669136674 /nfs/dbraw/zinc/13/66/74/669136674.db2.gz NYLPHICKPHIZSF-GXTWGEPZSA-N 0 0 319.409 0.650 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1ccc([C@H](C)O)n1)c1ccccc1 ZINC000128850417 669303563 /nfs/dbraw/zinc/30/35/63/669303563.db2.gz JKGYSFJPZJEEHY-NHYWBVRUSA-N 0 0 316.361 0.540 10 0 DCAERN CC[C@@H]1CN(CN2C(=O)C(=O)N(C)C2=O)CCN1CC(F)F ZINC000129321100 669419552 /nfs/dbraw/zinc/41/95/52/669419552.db2.gz IZECMCCHWXREQL-SECBINFHSA-N 0 0 318.324 0.026 10 0 DCAERN Cc1nc(C(=O)NC[C@@H](C)CC2(C)OCCO2)c(=O)[nH]c1C ZINC000156280767 669840174 /nfs/dbraw/zinc/84/01/74/669840174.db2.gz ZHHYDQJBIXAOLF-VIFPVBQESA-N 0 0 309.366 0.906 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@@H](C)O1 ZINC000188735003 670042627 /nfs/dbraw/zinc/04/26/27/670042627.db2.gz ZCZFPMLCIJBCGC-YGRLFVJLSA-N 0 0 321.377 0.620 10 0 DCAERN Cn1cc(CN2CCN3C(=O)CC[C@H]3C2)c(Br)n1 ZINC000713879289 670168161 /nfs/dbraw/zinc/16/81/61/670168161.db2.gz FBJLYKGCGZRUCQ-JTQLQIEISA-N 0 0 313.199 0.989 10 0 DCAERN CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2ccc(C(N)=S)cc2)C1 ZINC000714253153 670182596 /nfs/dbraw/zinc/18/25/96/670182596.db2.gz VLQIBHYCEXCFLQ-XYPYZODXSA-N 0 0 312.416 0.626 10 0 DCAERN Cc1cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)ccc1Cl ZINC000714259804 670182621 /nfs/dbraw/zinc/18/26/21/670182621.db2.gz SWCFSACIDRFQAS-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000714292890 670183460 /nfs/dbraw/zinc/18/34/60/670183460.db2.gz UUYBBJSZIONLMN-UHFFFAOYSA-N 0 0 303.771 0.220 10 0 DCAERN Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000714301698 670183485 /nfs/dbraw/zinc/18/34/85/670183485.db2.gz JNRCJJGYLZVRCJ-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN COc1cc(OC)nc(NCC[C@H]2CCCS2(=O)=O)n1 ZINC000714330773 670183883 /nfs/dbraw/zinc/18/38/83/670183883.db2.gz OECOHEDVFRTUQG-SECBINFHSA-N 0 0 301.368 0.873 10 0 DCAERN O=C(CNCC(F)(F)F)NCC[C@@H]1CCCS1(=O)=O ZINC000714326405 670184107 /nfs/dbraw/zinc/18/41/07/670184107.db2.gz AZTBCSURYWXSEI-QMMMGPOBSA-N 0 0 302.318 0.222 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCC23OCCO3)C1 ZINC000715929656 670226367 /nfs/dbraw/zinc/22/63/67/670226367.db2.gz GRYOCCGDKXZNPB-NEPJUHHUSA-N 0 0 304.412 0.848 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000716831490 670273373 /nfs/dbraw/zinc/27/33/73/670273373.db2.gz UVRZIEZIEHDNBP-AXFHLTTASA-N 0 0 309.453 0.572 10 0 DCAERN O=C(OCCc1cn(-c2ccc(F)cc2)nn1)[C@H]1CNC(=O)C1 ZINC000193895608 670376453 /nfs/dbraw/zinc/37/64/53/670376453.db2.gz QHEXDSLDMPTJOO-SNVBAGLBSA-N 0 0 318.308 0.628 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000194392284 670429726 /nfs/dbraw/zinc/42/97/26/670429726.db2.gz OUCLZFQYGMGLLL-MRVPVSSYSA-N 0 0 305.787 0.631 10 0 DCAERN O=C(COC(=O)[C@H]1CNC(=O)C1)N[C@@H]1CCCc2ccccc21 ZINC000194814485 670457549 /nfs/dbraw/zinc/45/75/49/670457549.db2.gz BHVAUEXFPOZTEJ-TZMCWYRMSA-N 0 0 316.357 0.860 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@@H]2CCC(C)(C)O2)c(=O)n(C)c1=O ZINC000190653920 670473003 /nfs/dbraw/zinc/47/30/03/670473003.db2.gz BXHOVCQUZKGVKP-FYJFLYSWSA-N 0 0 322.361 0.598 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)[C@@H]3CC3(C)C)CC2)n[nH]1 ZINC000818481136 671020933 /nfs/dbraw/zinc/02/09/33/671020933.db2.gz YRFMYLBWTGIDMY-JTQLQIEISA-N 0 0 305.382 0.916 10 0 DCAERN CC(C)[C@@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000116869253 671131895 /nfs/dbraw/zinc/13/18/95/671131895.db2.gz LWOXOIXLRRRAAF-NEPJUHHUSA-N 0 0 303.428 0.072 10 0 DCAERN O=C(CSc1nnnn1Cc1ccccc1)N1CCCC1=O ZINC000016447337 671910256 /nfs/dbraw/zinc/91/02/56/671910256.db2.gz SGQZSYZRQASGGQ-UHFFFAOYSA-N 0 0 317.374 0.963 10 0 DCAERN CC(C)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000105513081 672175839 /nfs/dbraw/zinc/17/58/39/672175839.db2.gz GBKWEXQUHQUPRF-UHFFFAOYSA-N 0 0 323.740 0.997 10 0 DCAERN COC(=O)c1sc(NC[C@H](C)S(N)(=O)=O)nc1Cl ZINC000398253495 685273736 /nfs/dbraw/zinc/27/37/36/685273736.db2.gz PMQAFIQBGFONPZ-BYPYZUCNSA-N 0 0 313.788 0.094 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Cl)ncc1Cl)S(N)(=O)=O ZINC000398282747 685274202 /nfs/dbraw/zinc/27/42/02/685274202.db2.gz LVFPWHIRVATAKH-YFKPBYRVSA-N 0 0 312.178 0.795 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)C[C@H](CC)O1 ZINC000398460113 685274286 /nfs/dbraw/zinc/27/42/86/685274286.db2.gz YEUCCUCVMGDTMZ-AOOOYVTPSA-N 0 0 300.384 0.467 10 0 DCAERN O=C1CCC(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)CC1 ZINC000719105618 685308521 /nfs/dbraw/zinc/30/85/21/685308521.db2.gz VMNVNFVTRONWJY-NSHDSACASA-N 0 0 317.407 0.913 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@]1(OC)CCSC1 ZINC000719232129 685309309 /nfs/dbraw/zinc/30/93/09/685309309.db2.gz XFEOOKNVFSMLMV-LLVKDONJSA-N 0 0 311.425 0.381 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC000719709453 685311925 /nfs/dbraw/zinc/31/19/25/685311925.db2.gz CPCUZPNTCGDDBD-LLVKDONJSA-N 0 0 309.428 0.461 10 0 DCAERN CC(C)NS(=O)(=O)NCc1cn(C)nc1Br ZINC000720099224 685312432 /nfs/dbraw/zinc/31/24/32/685312432.db2.gz LWXOAARJYKIASP-UHFFFAOYSA-N 0 0 311.205 0.515 10 0 DCAERN O=S(=O)(N[C@H]1CCCN2CCSC[C@H]12)c1c[nH]cn1 ZINC000720485129 685313116 /nfs/dbraw/zinc/31/31/16/685313116.db2.gz TVZSNRSOFIYQGP-VHSXEESVSA-N 0 0 302.425 0.268 10 0 DCAERN CC(=O)[C@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000722084229 685318922 /nfs/dbraw/zinc/31/89/22/685318922.db2.gz ZDLHEGSQAUWHEW-RYUDHWBXSA-N 0 0 319.448 0.734 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccc(Cl)s1 ZINC000725006057 685319508 /nfs/dbraw/zinc/31/95/08/685319508.db2.gz MQVANTDSJZDOSH-SECBINFHSA-N 0 0 322.839 0.794 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037840783 685055265 /nfs/dbraw/zinc/05/52/65/685055265.db2.gz RVYQCIWCROWGQB-XVKPBYJWSA-N 0 0 300.384 0.301 10 0 DCAERN Cc1c(C(=O)NOCC(N)=O)cnn1-c1ccccc1Cl ZINC000089463712 685099967 /nfs/dbraw/zinc/09/99/67/685099967.db2.gz CCMUBDBKKFPCBV-UHFFFAOYSA-N 0 0 308.725 0.981 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000094092527 685110478 /nfs/dbraw/zinc/11/04/78/685110478.db2.gz WBAAVGWSXHTSSO-LBPRGKRZSA-N 0 0 318.420 0.220 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000135346357 685121332 /nfs/dbraw/zinc/12/13/32/685121332.db2.gz AWNKUUIRTPOEEK-UHFFFAOYSA-N 0 0 318.421 0.433 10 0 DCAERN C#CCNC(=O)COC(=O)c1csc(-c2ncccn2)n1 ZINC000144833324 685128986 /nfs/dbraw/zinc/12/89/86/685128986.db2.gz RPKIMMVAJDPFMA-UHFFFAOYSA-N 0 0 302.315 0.506 10 0 DCAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CSC(=O)N1 ZINC000155261115 685135440 /nfs/dbraw/zinc/13/54/40/685135440.db2.gz CAHZCTBTEFXOFF-YUMQZZPRSA-N 0 0 311.329 0.812 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000246055812 685160324 /nfs/dbraw/zinc/16/03/24/685160324.db2.gz BCEZDGWEPAHNDB-YJNKXOJESA-N 0 0 312.410 0.502 10 0 DCAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000246836308 685167141 /nfs/dbraw/zinc/16/71/41/685167141.db2.gz DEDFHCRAAYWMGZ-RBSFLKMASA-N 0 0 319.405 0.302 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N(C)C(C)C)C[C@H]1C ZINC000247272082 685171221 /nfs/dbraw/zinc/17/12/21/685171221.db2.gz ZOFIVZQGFYVUFY-CYBMUJFWSA-N 0 0 307.460 0.614 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)N2CCSC[C@H]2C(=O)[O-])C1 ZINC000250375914 685184962 /nfs/dbraw/zinc/18/49/62/685184962.db2.gz WIOLUGYFXLBSIQ-MNOVXSKESA-N 0 0 301.412 0.682 10 0 DCAERN CO[C@@]1(C(=O)Nc2cnc(Br)cn2)CCOC1 ZINC000277244002 685195589 /nfs/dbraw/zinc/19/55/89/685195589.db2.gz RDJBTPJVXKAQER-JTQLQIEISA-N 0 0 302.128 0.983 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)N[C@H]1CCN(C)C1=O)[C@@H]2C ZINC000364747434 685222431 /nfs/dbraw/zinc/22/24/31/685222431.db2.gz AURSZBZVVLWFPM-MNOVXSKESA-N 0 0 320.397 0.718 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H]1CCOC1(C)C ZINC000328253000 1157795558 /nfs/dbraw/zinc/79/55/58/1157795558.db2.gz PBTJHZQZGVBRIQ-LURJTMIESA-N 0 0 303.160 0.875 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2cn(C)nc2C)CC1 ZINC000158325736 1158015004 /nfs/dbraw/zinc/01/50/04/1158015004.db2.gz XORHKYAIVSYTTA-UHFFFAOYSA-N 0 0 308.382 0.486 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)N2CCCCC2=O)C1 ZINC000332726857 1158245042 /nfs/dbraw/zinc/24/50/42/1158245042.db2.gz UVCHDUXOWNMBPC-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN CCOCCC(=O)N1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC000219311326 1158903372 /nfs/dbraw/zinc/90/33/72/1158903372.db2.gz ZKRBNWDJGKGUDA-JSGCOSHPSA-N 0 0 321.377 0.200 10 0 DCAERN CCC(O)(CC)CNS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000087041324 1158937238 /nfs/dbraw/zinc/93/72/38/1158937238.db2.gz COYVUHGWANKTFX-UHFFFAOYSA-N 0 0 313.441 0.034 10 0 DCAERN C[C@]1(NC(=O)c2cc(F)c(F)cc2N)CCS(=O)(=O)C1 ZINC000050018122 1171713931 /nfs/dbraw/zinc/71/39/31/1171713931.db2.gz ZKIXFNFPALMNQY-LBPRGKRZSA-N 0 0 304.318 0.854 10 0 DCAERN CN(C(=O)c1cc(F)c(F)cc1N)[C@@H]1CCS(=O)(=O)C1 ZINC000050016949 1171713995 /nfs/dbraw/zinc/71/39/95/1171713995.db2.gz UFXDKOZFBGJTAM-SSDOTTSWSA-N 0 0 304.318 0.806 10 0 DCAERN C=CCNC(=O)[C@H](C)Sc1nnc(CN2CCCC2=O)o1 ZINC000052448834 1171778948 /nfs/dbraw/zinc/77/89/48/1171778948.db2.gz DBWIWSWRVUHMLJ-VIFPVBQESA-N 0 0 310.379 0.975 10 0 DCAERN Cc1ncn(CC(=O)N2CCOCC2)c(=O)c1Br ZINC000090766266 1175433804 /nfs/dbraw/zinc/43/38/04/1175433804.db2.gz CRNVTHDOGLZJSZ-UHFFFAOYSA-N 0 0 316.155 0.173 10 0 DCAERN CN1CCN(C(=O)NCc2ccnc(OCC3CC3)c2)CC1=O ZINC000154899528 1180553352 /nfs/dbraw/zinc/55/33/52/1180553352.db2.gz WJILPOHLCDZYKY-UHFFFAOYSA-N 0 0 318.377 0.854 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1cccnc1 ZINC000161210043 1180959075 /nfs/dbraw/zinc/95/90/75/1180959075.db2.gz GNVAELLWFBKKIN-GFCCVEGCSA-N 0 0 304.350 0.068 10 0 DCAERN O=C(NC[C@H]1CCCO1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000170342044 1183656530 /nfs/dbraw/zinc/65/65/30/1183656530.db2.gz ITELNZDZDAUTFX-VXGBXAGGSA-N 0 0 320.345 0.238 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000173174199 1183886178 /nfs/dbraw/zinc/88/61/78/1183886178.db2.gz SQUIFFSZJIQKGD-ONXXMXGDSA-N 0 0 303.362 0.948 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000173227775 1183888971 /nfs/dbraw/zinc/88/89/71/1183888971.db2.gz JOLQQKQLZIVPPJ-ZETCQYMHSA-N 0 0 305.260 0.178 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000175248942 1184066373 /nfs/dbraw/zinc/06/63/73/1184066373.db2.gz ZWVRSYUQMRMKTG-LBPRGKRZSA-N 0 0 318.370 0.257 10 0 DCAERN COCCNC(=O)CNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000175816072 1184116403 /nfs/dbraw/zinc/11/64/03/1184116403.db2.gz MXYRYRYSBVBKAG-ZRDIBKRKSA-N 0 0 306.362 0.977 10 0 DCAERN Cc1noc([C@@H](NC(=O)NCC(=O)NCC2CC2)C(C)C)n1 ZINC000182019657 1185183734 /nfs/dbraw/zinc/18/37/34/1185183734.db2.gz GHRMVRHUYXOFCW-LBPRGKRZSA-N 0 0 309.370 0.901 10 0 DCAERN Cc1noc([C@@H](NC(=O)N2CCN(C)C(=O)[C@@H]2C)C(C)C)n1 ZINC000187087254 1187437486 /nfs/dbraw/zinc/43/74/86/1187437486.db2.gz WKAMIBVBDSPWIE-ONGXEEELSA-N 0 0 309.370 0.947 10 0 DCAERN COc1cccc(CC(=O)NCCNC(=O)c2cccnc2)n1 ZINC000188191786 1187605761 /nfs/dbraw/zinc/60/57/61/1187605761.db2.gz WHGLIKZQCPGQDZ-UHFFFAOYSA-N 0 0 314.345 0.574 10 0 DCAERN Cc1noc([C@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917208 1188106597 /nfs/dbraw/zinc/10/65/97/1188106597.db2.gz DFWFRSGAJAGKHI-WCBMZHEXSA-N 0 0 318.399 0.471 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2cccc(C)c2)CC1 ZINC000198230931 1188320285 /nfs/dbraw/zinc/32/02/85/1188320285.db2.gz YCIDGAWRUICGDE-UHFFFAOYSA-N 0 0 317.389 0.852 10 0 DCAERN CN1C[C@@H](NC(=O)c2cc(Br)ccc2N)CC1=O ZINC000311058841 1190390972 /nfs/dbraw/zinc/39/09/72/1190390972.db2.gz SAINDESEQNWIQI-QMMMGPOBSA-N 0 0 312.167 0.992 10 0 DCAERN CN(C(=O)c1cnc(Cl)cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000383247996 1190699101 /nfs/dbraw/zinc/69/91/01/1190699101.db2.gz DGEDEBJVBKXLIP-QMMMGPOBSA-N 0 0 318.786 0.236 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(F)F ZINC000390430886 1190700591 /nfs/dbraw/zinc/70/05/91/1190700591.db2.gz CRHKMNVZSPPGAB-ZCFIWIBFSA-N 0 0 314.335 0.266 10 0 DCAERN Nc1ncc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)S3)cn1 ZINC000403655313 747333881 /nfs/dbraw/zinc/33/38/81/747333881.db2.gz VMVDDUAIDOBQGH-CBLAIPOGSA-N 0 0 300.409 0.594 10 0 DCAERN C[S@](=N)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000404731156 747476134 /nfs/dbraw/zinc/47/61/34/747476134.db2.gz VHNYAVYFYMTRPI-GOSISDBHSA-N 0 0 303.409 0.584 10 0 DCAERN CC(=O)N(c1nnc(SCC(=O)NC(N)=O)s1)C1CC1 ZINC000025363318 765061319 /nfs/dbraw/zinc/06/13/19/765061319.db2.gz NYVZCROBSLIUPE-UHFFFAOYSA-N 0 0 315.380 0.340 10 0 DCAERN O=C(CNS(=O)(=O)c1cccnc1F)NCC(F)(F)F ZINC000401777500 768585359 /nfs/dbraw/zinc/58/53/59/768585359.db2.gz FHGMLRUDLRXBMD-UHFFFAOYSA-N 0 0 315.248 0.178 10 0 DCAERN CN1CC[C@H](NC(=O)c2cc(Br)ccc2N)C1=O ZINC000230270144 768669102 /nfs/dbraw/zinc/66/91/02/768669102.db2.gz UTKJSTHZGHNEFV-JTQLQIEISA-N 0 0 312.167 0.992 10 0 DCAERN O=C(NC[C@@H](O)CO)c1cccc(I)c1 ZINC000085244806 773011020 /nfs/dbraw/zinc/01/10/20/773011020.db2.gz PZFMKPXGWNXZDH-SECBINFHSA-N 0 0 321.114 0.374 10 0 DCAERN CS(=O)(=O)N1CC[C@H](Nc2cnc(Br)cn2)C1 ZINC000400183975 774022129 /nfs/dbraw/zinc/02/21/29/774022129.db2.gz IQJKNERQEDCIJZ-ZETCQYMHSA-N 0 0 321.200 0.107 10 0 DCAERN CS(=O)(=O)C1(CNS(=O)(=O)c2cccnc2F)CC1 ZINC000401791090 774066394 /nfs/dbraw/zinc/06/63/94/774066394.db2.gz NOGZSKQJPVBCGF-UHFFFAOYSA-N 0 0 308.356 0.076 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401818484 774067777 /nfs/dbraw/zinc/06/77/77/774067777.db2.gz IODKHZCVCQQDSR-VIFPVBQESA-N 0 0 322.383 0.418 10 0 DCAERN CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401859924 774068889 /nfs/dbraw/zinc/06/88/89/774068889.db2.gz QJXRRPXOAKVLRD-GFCCVEGCSA-N 0 0 301.343 0.367 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907750 774140460 /nfs/dbraw/zinc/14/04/60/774140460.db2.gz UBUHTWRZTFGIGB-SECBINFHSA-N 0 0 300.380 0.515 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000701198431 949751423 /nfs/dbraw/zinc/75/14/23/949751423.db2.gz AIMQCFPESSSHJV-BDAKNGLRSA-N 0 0 311.425 0.030 10 0 DCAERN O=C([O-])CC[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000692425942 976464964 /nfs/dbraw/zinc/46/49/64/976464964.db2.gz IRCCLVDKFWEIDI-UHFFFAOYSA-N 0 0 306.362 0.822 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000279056067 214605521 /nfs/dbraw/zinc/60/55/21/214605521.db2.gz YLZPENRGKKVSRM-SKKLXFKPSA-N 0 0 324.450 0.996 10 0 DCAERN CC(C)N(C(=O)CN1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000092421766 185317001 /nfs/dbraw/zinc/31/70/01/185317001.db2.gz SAYLHPUAGDLZIU-CQSZACIVSA-N 0 0 305.378 0.614 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000286615091 219084195 /nfs/dbraw/zinc/08/41/95/219084195.db2.gz CBJWZCJVCXEDTF-OUCADQQQSA-N 0 0 320.393 0.670 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000092771180 185339254 /nfs/dbraw/zinc/33/92/54/185339254.db2.gz QKQDRXNCODRPOI-DGCLKSJQSA-N 0 0 311.407 0.725 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2C[C@H](O)C(C)(C)C2)[C@H]1c1cccnc1 ZINC000279177333 214679790 /nfs/dbraw/zinc/67/97/90/214679790.db2.gz BLFPBENDDJIIFQ-KCQAQPDRSA-N 0 0 317.389 0.830 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1 ZINC000092968777 185350558 /nfs/dbraw/zinc/35/05/58/185350558.db2.gz MUWNGJHNDFJFJL-UHFFFAOYSA-N 0 0 300.380 0.438 10 0 DCAERN CCc1ccnc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 ZINC000181477882 199303756 /nfs/dbraw/zinc/30/37/56/199303756.db2.gz MUSHDHMBLGIVJI-MRXNPFEDSA-N 0 0 307.394 0.457 10 0 DCAERN Cc1ccc(CS(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000181442793 199297427 /nfs/dbraw/zinc/29/74/27/199297427.db2.gz SQUGYLVZPHONEP-CHWSQXEVSA-N 0 0 318.416 0.376 10 0 DCAERN CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)sc2C)CCO1 ZINC000181503484 199308085 /nfs/dbraw/zinc/30/80/85/199308085.db2.gz OHNLSXDPPXXAQX-JTQLQIEISA-N 0 0 318.420 0.500 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cc(OCC(F)F)ccn2)C1 ZINC000181547083 199314794 /nfs/dbraw/zinc/31/47/94/199314794.db2.gz MKXXNTOMRQNDGG-NSHDSACASA-N 0 0 315.320 0.786 10 0 DCAERN C[C@H]1CN(C[C@](C)(O)c2ccccc2)CCN1S(C)(=O)=O ZINC000181603844 199325794 /nfs/dbraw/zinc/32/57/94/199325794.db2.gz WLPOINYLVLHZEJ-ZFWWWQNUSA-N 0 0 312.435 0.860 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCC(=O)N1CCCCC1)C(C)C ZINC000178415714 529896854 /nfs/dbraw/zinc/89/68/54/529896854.db2.gz LKDCOWGNTRSPAY-ZDUSSCGKSA-N 0 0 312.414 0.459 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(F)ccc1C)C(C)C ZINC000179082879 529918506 /nfs/dbraw/zinc/91/85/06/529918506.db2.gz BYCVMFKGLZKEAU-GFCCVEGCSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc2[nH]ccc2c1)C(C)C ZINC000179076952 529918805 /nfs/dbraw/zinc/91/88/05/529918805.db2.gz LEGWMKNIRCKQKG-CYBMUJFWSA-N 0 0 316.361 0.993 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000178430739 529920113 /nfs/dbraw/zinc/92/01/13/529920113.db2.gz BRUSUVPZHHCUHF-CMPLNLGQSA-N 0 0 312.414 0.456 10 0 DCAERN O=C(N1CCOCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000036138038 190663025 /nfs/dbraw/zinc/66/30/25/190663025.db2.gz XXNSOHYTEWBOQV-OAHLLOKOSA-N 0 0 315.373 0.880 10 0 DCAERN CN(C)c1noc(CN2CCNC(=O)[C@H]2c2ccccc2)n1 ZINC000192759659 282333048 /nfs/dbraw/zinc/33/30/48/282333048.db2.gz WUVMBJQGIGSHDS-CYBMUJFWSA-N 0 0 301.350 0.809 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C/C=C/c1cccc(F)c1 ZINC000188911608 530015631 /nfs/dbraw/zinc/01/56/31/530015631.db2.gz FNFGAQFAIFWKER-HWKANZROSA-N 0 0 300.355 0.894 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCCN2C)CCS1(=O)=O ZINC000408379881 282367018 /nfs/dbraw/zinc/36/70/18/282367018.db2.gz QHZHWLJEXFCOLY-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN CCC1(CC)CN(C(=O)[C@]2(O)CCSC2)CCS1(=O)=O ZINC000408378959 282368444 /nfs/dbraw/zinc/36/84/44/282368444.db2.gz HYYRTCVUHNOAIG-ZDUSSCGKSA-N 0 0 321.464 0.670 10 0 DCAERN CN(C(=O)CCc1cncc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000181704130 199342148 /nfs/dbraw/zinc/34/21/48/199342148.db2.gz GRIAZBQKJWLLOR-GFCCVEGCSA-N 0 0 300.355 0.799 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1nc(C)no1 ZINC000234582368 201904322 /nfs/dbraw/zinc/90/43/22/201904322.db2.gz NJRTVDHMVMESOK-BDAKNGLRSA-N 0 0 303.340 0.139 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000181853267 199362159 /nfs/dbraw/zinc/36/21/59/199362159.db2.gz ATMXYRJTFKMQIC-GFCCVEGCSA-N 0 0 323.397 0.373 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)C[C@H]2CCCC[C@H]2O)cn1 ZINC000181942070 199365980 /nfs/dbraw/zinc/36/59/80/199365980.db2.gz HMZHLSRLLANHJZ-DGCLKSJQSA-N 0 0 323.397 0.644 10 0 DCAERN COCc1cc(C(=O)N2CCO[C@H](Cn3cccn3)C2)no1 ZINC000173335285 186177701 /nfs/dbraw/zinc/17/77/01/186177701.db2.gz VVOWIRFFFUKMJO-LBPRGKRZSA-N 0 0 306.322 0.559 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000179687693 186205567 /nfs/dbraw/zinc/20/55/67/186205567.db2.gz PAHVYWAOJRITRE-JTQLQIEISA-N 0 0 304.755 0.215 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccnc(Cl)c1 ZINC000181882474 186214539 /nfs/dbraw/zinc/21/45/39/186214539.db2.gz MLQWSDBHSGSUKK-LLVKDONJSA-N 0 0 314.773 0.550 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CCCC1 ZINC000408238083 290911208 /nfs/dbraw/zinc/91/12/08/290911208.db2.gz SVSTYIBFJCEBCK-GHMZBOCLSA-N 0 0 320.411 0.416 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171661799 197963106 /nfs/dbraw/zinc/96/31/06/197963106.db2.gz ARTGGYYHLBRNPI-WCQYABFASA-N 0 0 317.349 0.853 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)c1 ZINC000171907379 198006465 /nfs/dbraw/zinc/00/64/65/198006465.db2.gz ULUNYDMBDRVHBI-CABCVRRESA-N 0 0 321.425 0.869 10 0 DCAERN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CSC(=O)N1 ZINC000172630564 198129475 /nfs/dbraw/zinc/12/94/75/198129475.db2.gz APATWJPRPWHEQQ-GFCCVEGCSA-N 0 0 317.374 0.768 10 0 DCAERN Cc1nn2c(nnc3c(=O)n(CCO)cnc32)c1-c1ccccc1 ZINC000072449857 191170046 /nfs/dbraw/zinc/17/00/46/191170046.db2.gz IWDYPHSDIGDISR-UHFFFAOYSA-N 0 0 322.328 0.802 10 0 DCAERN COC(=O)c1c(C)nn2c1ncc1c2ccn(N(C)C)c1=O ZINC000072465518 191174671 /nfs/dbraw/zinc/17/46/71/191174671.db2.gz QTZKRKMSTTUVGG-UHFFFAOYSA-N 0 0 301.306 0.337 10 0 DCAERN OCCCSCCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000172823282 198153519 /nfs/dbraw/zinc/15/35/19/198153519.db2.gz GBUGXUWQLVLTRE-GFCCVEGCSA-N 0 0 312.439 0.965 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C)CCO1 ZINC000172801468 198150528 /nfs/dbraw/zinc/15/05/28/198150528.db2.gz LOCOSRMVBPPCCT-LSDHHAIUSA-N 0 0 319.405 0.133 10 0 DCAERN Cc1cc(N2CC[C@H](SCCS(C)(=O)=O)C2=O)n(C)n1 ZINC000172924846 198168129 /nfs/dbraw/zinc/16/81/29/198168129.db2.gz BNDBBJCKUJMGBU-JTQLQIEISA-N 0 0 317.436 0.612 10 0 DCAERN CCc1nc(C2(NCC(=O)NCCC(=O)OC)CCCC2)no1 ZINC000173693925 198241465 /nfs/dbraw/zinc/24/14/65/198241465.db2.gz SZPFIHKLYVFPRL-UHFFFAOYSA-N 0 0 324.381 0.670 10 0 DCAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000174658840 198366644 /nfs/dbraw/zinc/36/66/44/198366644.db2.gz LFGOEGOWHVJFFX-ZIAGYGMSSA-N 0 0 306.410 0.940 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000174649646 198364634 /nfs/dbraw/zinc/36/46/34/198364634.db2.gz KDOSOGFKSCPVIY-CYBMUJFWSA-N 0 0 305.382 0.210 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNc2nccn(C)c2=O)ncn1 ZINC000174730762 198377437 /nfs/dbraw/zinc/37/74/37/198377437.db2.gz RVVUXDMUDCXQER-LLVKDONJSA-N 0 0 315.381 0.693 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H](n3cncn3)C2)CCC1=O ZINC000175166362 198438409 /nfs/dbraw/zinc/43/84/09/198438409.db2.gz ACMOJQZRIXULLL-NEPJUHHUSA-N 0 0 306.370 0.245 10 0 DCAERN COc1ccc(-c2nnnn2[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)cc1 ZINC000004127357 181076709 /nfs/dbraw/zinc/07/67/09/181076709.db2.gz ULEGEYRULHFLMG-OSMZGAPFSA-N 0 0 302.290 0.604 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)N[C@@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509615 283003932 /nfs/dbraw/zinc/00/39/32/283003932.db2.gz IXBPBVWFELPXTF-OWCLPIDISA-N 0 0 317.389 0.982 10 0 DCAERN CNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O ZINC000004479304 181112544 /nfs/dbraw/zinc/11/25/44/181112544.db2.gz DOPRAKBVHNXNCN-UHFFFAOYSA-N 0 0 311.345 0.945 10 0 DCAERN C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000408070106 291044317 /nfs/dbraw/zinc/04/43/17/291044317.db2.gz FJCPOWOIXWWFSJ-NWDGAFQWSA-N 0 0 319.471 0.961 10 0 DCAERN Cn1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)ccc1=O ZINC000077654843 191750796 /nfs/dbraw/zinc/75/07/96/191750796.db2.gz GSNHDXMVHNVYGZ-UHFFFAOYSA-N 0 0 314.345 0.869 10 0 DCAERN CN1CC[C@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000175194572 283122755 /nfs/dbraw/zinc/12/27/55/283122755.db2.gz OJOZHBPNXJWQPO-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000080807855 192192654 /nfs/dbraw/zinc/19/26/54/192192654.db2.gz PHBNLPMBLUMMRM-LBPRGKRZSA-N 0 0 305.444 0.101 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050615 192220594 /nfs/dbraw/zinc/22/05/94/192220594.db2.gz YCNGXNSPWHVFIT-NSHDSACASA-N 0 0 311.304 0.467 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000081441584 192266647 /nfs/dbraw/zinc/26/66/47/192266647.db2.gz AUSMIFNKLKOGCL-JTQLQIEISA-N 0 0 304.350 0.170 10 0 DCAERN CN1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)CC1=O ZINC000076247937 283225400 /nfs/dbraw/zinc/22/54/00/283225400.db2.gz RMLHYUULTDJZEK-UPJWGTAASA-N 0 0 312.435 0.978 10 0 DCAERN CC[C@H](C)[C@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178750219 198923038 /nfs/dbraw/zinc/92/30/38/198923038.db2.gz WRKNVSVRFIDRLG-JOYOIKCWSA-N 0 0 300.380 0.471 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000329551728 283288513 /nfs/dbraw/zinc/28/85/13/283288513.db2.gz ANUNJKCGAYDPQQ-SECBINFHSA-N 0 0 310.354 0.891 10 0 DCAERN COc1n[nH]c(NC(=O)CCc2c(C)nc3ncnn3c2C)n1 ZINC000179374574 199024256 /nfs/dbraw/zinc/02/42/56/199024256.db2.gz VUAXSMKOBUNVFY-UHFFFAOYSA-N 0 0 316.325 0.439 10 0 DCAERN CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000364798507 283298933 /nfs/dbraw/zinc/29/89/33/283298933.db2.gz LAWJFXPKTRCQHF-UHFFFAOYSA-N 0 0 319.361 0.545 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000179417846 199031943 /nfs/dbraw/zinc/03/19/43/199031943.db2.gz ITJZRUFASGFXIN-LLVKDONJSA-N 0 0 312.801 0.846 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](CO)CC(C)(C)C)cn1 ZINC000179461301 199039237 /nfs/dbraw/zinc/03/92/37/199039237.db2.gz ZIZZLTTUSHPFJJ-SNVBAGLBSA-N 0 0 311.386 0.548 10 0 DCAERN O=C(NCc1cnn(-c2ccccc2)c1)NC[C@]1(O)CCOC1 ZINC000179499850 199046337 /nfs/dbraw/zinc/04/63/37/199046337.db2.gz WKLIXVPXYQNXAR-MRXNPFEDSA-N 0 0 316.361 0.823 10 0 DCAERN Cc1ccc(C)c(OC[C@@H](O)CN2CCOC[C@@H]2C(N)=O)c1C ZINC000179745494 199075511 /nfs/dbraw/zinc/07/55/11/199075511.db2.gz SLUUMELDNLBSLL-LSDHHAIUSA-N 0 0 322.405 0.538 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCC(=O)N2CCOCC2)cn1 ZINC000179770796 199077898 /nfs/dbraw/zinc/07/78/98/199077898.db2.gz HSFLMCYSBUDISF-ZDUSSCGKSA-N 0 0 321.381 0.125 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC[C@H]1C ZINC000408256040 293813432 /nfs/dbraw/zinc/81/34/32/293813432.db2.gz JZHVHIPLXOWNNQ-IJLUTSLNSA-N 0 0 304.412 0.630 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000180257952 199138189 /nfs/dbraw/zinc/13/81/89/199138189.db2.gz UNTDEHLBQWTQFG-PWSUYJOCSA-N 0 0 322.365 0.101 10 0 DCAERN CC[C@](NC(=O)[C@@H](C)NC(=O)c1ccco1)(C(N)=O)C(C)C ZINC000180281778 199141841 /nfs/dbraw/zinc/14/18/41/199141841.db2.gz PSEJZWCBEGBMEY-MEBBXXQBSA-N 0 0 309.366 0.804 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180602152 199183712 /nfs/dbraw/zinc/18/37/12/199183712.db2.gz PSAJBZOXVNKEQP-UWVGGRQHSA-N 0 0 317.349 0.543 10 0 DCAERN Cn1cnc2cc(C(=O)N[C@H]3CCCC[C@H]3C(N)=O)cnc21 ZINC000180845100 199217359 /nfs/dbraw/zinc/21/73/59/199217359.db2.gz XISGVODEHKKBHW-MNOVXSKESA-N 0 0 301.350 0.742 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3cccnc3)CC2)O1 ZINC000133012424 236977605 /nfs/dbraw/zinc/97/76/05/236977605.db2.gz MFFGBMSLNOJUJV-GXTWGEPZSA-N 0 0 303.362 0.934 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)CCS1(=O)=O ZINC000155485021 237041909 /nfs/dbraw/zinc/04/19/09/237041909.db2.gz YVPBXEVGVQJXID-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN CCC1(CC)CN(C(=O)CCCS(C)(=O)=O)CC[S@@]1=O ZINC000186736948 200000116 /nfs/dbraw/zinc/00/01/16/200000116.db2.gz DZGAENPLRGARFT-IBGZPJMESA-N 0 0 323.480 0.961 10 0 DCAERN C[C@H]1OCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@@H]1C ZINC000166973342 237121358 /nfs/dbraw/zinc/12/13/58/237121358.db2.gz QXNIDIUZTHITRL-GHMZBOCLSA-N 0 0 317.345 0.326 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2nccn2C(F)F)C[C@@H](C)O1 ZINC000173963107 237168757 /nfs/dbraw/zinc/16/87/57/237168757.db2.gz RGBPGGCLUVWXHT-RKDXNWHRSA-N 0 0 324.353 0.722 10 0 DCAERN COC(=O)c1cc(C)ccc1S(=O)(=O)NCC(F)(F)CN ZINC000186990059 200044402 /nfs/dbraw/zinc/04/44/02/200044402.db2.gz HKQNDAKKXQLJKQ-UHFFFAOYSA-N 0 0 322.333 0.654 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)C1CCCC1 ZINC000176602848 237202652 /nfs/dbraw/zinc/20/26/52/237202652.db2.gz JGSJZMMRNABZIL-JTQLQIEISA-N 0 0 312.457 0.424 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@]2(CCOC2)O1 ZINC000281005342 216015901 /nfs/dbraw/zinc/01/59/01/216015901.db2.gz OIZQGOLXIIAHGP-RISCZKNCSA-N 0 0 312.391 0.837 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)[nH]1 ZINC000188398668 237370381 /nfs/dbraw/zinc/37/03/81/237370381.db2.gz WWUXAXIZIUHHND-LLVKDONJSA-N 0 0 319.369 0.673 10 0 DCAERN COCCn1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)cn1 ZINC000187132700 237342000 /nfs/dbraw/zinc/34/20/00/237342000.db2.gz GNIMDBBZQBCVIZ-GFCCVEGCSA-N 0 0 311.386 0.060 10 0 DCAERN Cc1ccccc1CNC(=O)[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187724116 200149227 /nfs/dbraw/zinc/14/92/27/200149227.db2.gz SIDPHEBNRAZXBK-CVEARBPZSA-N 0 0 319.449 0.998 10 0 DCAERN Cc1ccc(CNC(=O)[C@H](C)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187727357 200150179 /nfs/dbraw/zinc/15/01/79/200150179.db2.gz RHMWEXXXUSJVSF-CVEARBPZSA-N 0 0 319.449 0.998 10 0 DCAERN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187727338 200150323 /nfs/dbraw/zinc/15/03/23/200150323.db2.gz RHMWEXXXUSJVSF-HZPDHXFCSA-N 0 0 319.449 0.998 10 0 DCAERN C[C@H](CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)N1CCCCC1=O ZINC000188667351 237378236 /nfs/dbraw/zinc/37/82/36/237378236.db2.gz ZDLSGLLBWYOHCO-UPJWGTAASA-N 0 0 309.410 0.890 10 0 DCAERN COCCCN(CCO)C(=O)c1cccc(-n2cncn2)c1 ZINC000189053756 237386307 /nfs/dbraw/zinc/38/63/07/237386307.db2.gz YGBMLSOQYFEGRQ-UHFFFAOYSA-N 0 0 304.350 0.738 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)no1 ZINC000191424118 237451608 /nfs/dbraw/zinc/45/16/08/237451608.db2.gz ITPINLYKPGOGMV-YPMHNXCESA-N 0 0 308.382 0.837 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000153592815 291207753 /nfs/dbraw/zinc/20/77/53/291207753.db2.gz SBFSYCHXTKAFHT-LLVKDONJSA-N 0 0 313.361 0.971 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000153596104 291207759 /nfs/dbraw/zinc/20/77/59/291207759.db2.gz XVDXSTVTGDZHAD-UHFFFAOYSA-N 0 0 321.381 0.370 10 0 DCAERN CCc1noc(C)c1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000153597307 291207773 /nfs/dbraw/zinc/20/77/73/291207773.db2.gz QQOPLTARESSGTR-NSHDSACASA-N 0 0 310.354 0.650 10 0 DCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)c1cn2ccnc2s1 ZINC000188734109 200296508 /nfs/dbraw/zinc/29/65/08/200296508.db2.gz XUACJTHRDOXBJE-NSHDSACASA-N 0 0 324.406 0.161 10 0 DCAERN C[C@@H](NC(=O)Cn1ncn(C)c1=O)c1ccc2c(c1)OCO2 ZINC000153933885 291209381 /nfs/dbraw/zinc/20/93/81/291209381.db2.gz DRJMCJBHHGQNNM-SECBINFHSA-N 0 0 304.306 0.188 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000153917159 291209400 /nfs/dbraw/zinc/20/94/00/291209400.db2.gz POTRNSPCPFOJSX-ZDUSSCGKSA-N 0 0 319.405 0.589 10 0 DCAERN Cc1nc(C(=O)NCC(=O)Nc2cccnc2)c(=O)[nH]c1C ZINC000155340477 291219057 /nfs/dbraw/zinc/21/90/57/291219057.db2.gz VOAQZZGXZGHJAJ-UHFFFAOYSA-N 0 0 301.306 0.150 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000287843942 219761687 /nfs/dbraw/zinc/76/16/87/219761687.db2.gz QOWCPDSSLKFJCV-NEPJUHHUSA-N 0 0 305.382 0.878 10 0 DCAERN CC(C)[C@H](O)CC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000157184443 291227398 /nfs/dbraw/zinc/22/73/98/291227398.db2.gz WUYUDDFDCVRDAP-CYBMUJFWSA-N 0 0 304.346 0.806 10 0 DCAERN CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000162751470 291244783 /nfs/dbraw/zinc/24/47/83/291244783.db2.gz IUPPSIBXNSCCGU-GFCCVEGCSA-N 0 0 305.444 0.667 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000162658856 291244794 /nfs/dbraw/zinc/24/47/94/291244794.db2.gz YJWZOOYPZLTBQN-AAEUAGOBSA-N 0 0 303.362 0.983 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCc2ccc(F)cc2)cn1 ZINC000162881808 291245068 /nfs/dbraw/zinc/24/50/68/291245068.db2.gz JGQOGIYTLMBKMT-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN Cc1ccc(C(=O)N2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)c(F)c1 ZINC000275757403 238311423 /nfs/dbraw/zinc/31/14/23/238311423.db2.gz RHYPAHBWLNHMBL-GFCCVEGCSA-N 0 0 324.352 0.992 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1F ZINC000163947604 291247095 /nfs/dbraw/zinc/24/70/95/291247095.db2.gz KCGXSLIHWHLJGN-SNVBAGLBSA-N 0 0 307.325 0.660 10 0 DCAERN C[C@H](O)C(C)(C)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000167133369 291248960 /nfs/dbraw/zinc/24/89/60/291248960.db2.gz UROZDMXXXJWVJW-VIFPVBQESA-N 0 0 320.436 0.692 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000281485704 216334379 /nfs/dbraw/zinc/33/43/79/216334379.db2.gz JFIPHSZUCICDNW-STQMWFEESA-N 0 0 319.409 0.801 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000195183519 291317175 /nfs/dbraw/zinc/31/71/75/291317175.db2.gz MWQQJHHDTFVNOO-ZDUSSCGKSA-N 0 0 317.345 0.884 10 0 DCAERN O=C(CNC(=O)NCC[C@H]1COc2ccccc2O1)NC1CC1 ZINC000566713646 291319371 /nfs/dbraw/zinc/31/93/71/291319371.db2.gz SFYGRTINHDDHDT-LBPRGKRZSA-N 0 0 319.361 0.794 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)c(=O)n(C)c1=O ZINC000281782985 216540770 /nfs/dbraw/zinc/54/07/70/216540770.db2.gz DXVRINCOJHQMNL-MRVPVSSYSA-N 0 0 301.293 0.848 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000275356034 212288645 /nfs/dbraw/zinc/28/86/45/212288645.db2.gz ISJJYFKAWNQCCD-UONOGXRCSA-N 0 0 321.425 0.987 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000171238633 283839121 /nfs/dbraw/zinc/83/91/21/283839121.db2.gz RZBGFJYXLACVDY-JSGCOSHPSA-N 0 0 306.362 0.738 10 0 DCAERN O=C(Nc1cccc2c1OCO2)C(=O)N1CC(n2ccnn2)C1 ZINC000441306441 240509488 /nfs/dbraw/zinc/50/94/88/240509488.db2.gz CAVANJNUKJDZME-UHFFFAOYSA-N 0 0 315.289 0.029 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000444935545 240574982 /nfs/dbraw/zinc/57/49/82/240574982.db2.gz GNESSBJHFSOTTP-LBPRGKRZSA-N 0 0 320.349 0.417 10 0 DCAERN C[C@@H](c1nnnn1C)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451661850 240676785 /nfs/dbraw/zinc/67/67/85/240676785.db2.gz JQZYUHQHUGNRLV-JTQLQIEISA-N 0 0 316.365 0.588 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2cc(C)no2)CC12COC2 ZINC000454438656 240782567 /nfs/dbraw/zinc/78/25/67/240782567.db2.gz WITKPABQUGZBBU-LBPRGKRZSA-N 0 0 323.349 0.704 10 0 DCAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091778842 193106361 /nfs/dbraw/zinc/10/63/61/193106361.db2.gz PBHUMQYBGKEOOY-CQSZACIVSA-N 0 0 314.345 0.507 10 0 DCAERN COc1ccccc1C[C@H](C)CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091780569 193106693 /nfs/dbraw/zinc/10/66/93/193106693.db2.gz PNWKOXSJJUZDHC-JSGCOSHPSA-N 0 0 320.389 0.977 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1c(F)cccc1Cl ZINC000091782339 193107222 /nfs/dbraw/zinc/10/72/22/193107222.db2.gz XDYQGPXUJRGLRR-LLVKDONJSA-N 0 0 300.717 0.734 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000091783562 193107439 /nfs/dbraw/zinc/10/74/39/193107439.db2.gz GTHYXYWYYFJUER-LLVKDONJSA-N 0 0 322.365 0.373 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000091784985 193107772 /nfs/dbraw/zinc/10/77/72/193107772.db2.gz WFGVOBPYUQLZOX-LLVKDONJSA-N 0 0 316.716 0.571 10 0 DCAERN Cc1cccc2c(CC(=O)N3CCOC[C@H]3C(N)=O)c[nH]c21 ZINC000091783670 193107821 /nfs/dbraw/zinc/10/78/21/193107821.db2.gz LQMGBFVAWPUFCX-ZDUSSCGKSA-N 0 0 301.346 0.732 10 0 DCAERN O=C(NCc1ccccc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000457408576 241001266 /nfs/dbraw/zinc/00/12/66/241001266.db2.gz MXEYEWQJDMYAOH-NSHDSACASA-N 0 0 309.757 0.792 10 0 DCAERN Cc1cccc(OCCNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000457518697 241011186 /nfs/dbraw/zinc/01/11/86/241011186.db2.gz WPNSFGMSNZIBNQ-ZDUSSCGKSA-N 0 0 319.365 0.326 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccncc1C ZINC000488172584 241089920 /nfs/dbraw/zinc/08/99/20/241089920.db2.gz SCTPTAWPBLZNME-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCC(CS(C)(=O)=O)CC1 ZINC000489930098 241101014 /nfs/dbraw/zinc/10/10/14/241101014.db2.gz BPCMSFMIGAZWSO-PWSUYJOCSA-N 0 0 304.412 0.630 10 0 DCAERN COc1cc(CC(=O)N2CC[C@@H](NC(N)=O)C2)cc(OC)c1O ZINC000567611524 291364562 /nfs/dbraw/zinc/36/45/62/291364562.db2.gz PMIDCFXALYCMCM-SNVBAGLBSA-N 0 0 323.349 0.221 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCC1=O ZINC000275288698 212250593 /nfs/dbraw/zinc/25/05/93/212250593.db2.gz UVSYKKLFEKBQTB-VFZGTOFNSA-N 0 0 307.350 0.144 10 0 DCAERN C[C@H]1CN(C(=O)CN2c3ccccc3OCC2=O)CCC1=O ZINC000275266858 212234995 /nfs/dbraw/zinc/23/49/95/212234995.db2.gz PYYDXBMEVCHHLX-NSHDSACASA-N 0 0 302.330 0.850 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)[C@H](C)OC ZINC000568055054 291400538 /nfs/dbraw/zinc/40/05/38/291400538.db2.gz HQZUHQVZNIMGJK-OUAUKWLOSA-N 0 0 308.400 0.272 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCn3nncc3C2)c1 ZINC000568172557 291408795 /nfs/dbraw/zinc/40/87/95/291408795.db2.gz VTBSBIDKFMYSJI-UHFFFAOYSA-N 0 0 300.318 0.902 10 0 DCAERN COC(=O)[C@@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701121 284012432 /nfs/dbraw/zinc/01/24/32/284012432.db2.gz WIIWWJDTRPQUNC-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC(=O)N1C ZINC000282060241 216730891 /nfs/dbraw/zinc/73/08/91/216730891.db2.gz BBLKSBRGSVXHTQ-CORIIIEPSA-N 0 0 303.362 0.848 10 0 DCAERN Cc1ccc(C)c(OC[C@H](O)CN2CCOC[C@@H]2C(N)=O)c1 ZINC000092230542 193177295 /nfs/dbraw/zinc/17/72/95/193177295.db2.gz KUQXRVPQUMCWDK-ZIAGYGMSSA-N 0 0 308.378 0.229 10 0 DCAERN Cc1noc(C2CCN(C(=O)N[C@H]3CCC(=O)N[C@@H]3C)CC2)n1 ZINC000282172435 216796534 /nfs/dbraw/zinc/79/65/34/216796534.db2.gz JSOLMLTVGPWVFU-SKDRFNHKSA-N 0 0 321.381 0.934 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N(C)C2)ccc1C ZINC000568777771 291446408 /nfs/dbraw/zinc/44/64/08/291446408.db2.gz HFXPWTQELCIGOV-UHFFFAOYSA-N 0 0 303.318 0.394 10 0 DCAERN CS(=O)(=O)N1CCOCC12CCN(c1nncs1)CC2 ZINC000096074711 193525059 /nfs/dbraw/zinc/52/50/59/193525059.db2.gz AXHNPWYRUZFNLY-UHFFFAOYSA-N 0 0 318.424 0.169 10 0 DCAERN CN1CCN(c2cc(NC[C@@H]3CCCC[C@@H]3O)ncn2)CC1=O ZINC000274884467 212008921 /nfs/dbraw/zinc/00/89/21/212008921.db2.gz IENRGMBASMDSJM-STQMWFEESA-N 0 0 319.409 0.718 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000191575424 284301107 /nfs/dbraw/zinc/30/11/07/284301107.db2.gz NALFZMDOXCWRQC-VXGBXAGGSA-N 0 0 308.378 0.929 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282528912 217065394 /nfs/dbraw/zinc/06/53/94/217065394.db2.gz ZNKCQRLAYIEFTL-VIFPVBQESA-N 0 0 301.350 0.649 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000408440019 296186278 /nfs/dbraw/zinc/18/62/78/296186278.db2.gz XPIVWQQYGDDOEA-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC1 ZINC000015587202 182008103 /nfs/dbraw/zinc/00/81/03/182008103.db2.gz CARZTMWMOFYRKG-UHFFFAOYSA-N 0 0 324.402 0.908 10 0 DCAERN CCN(C)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000245462131 284357111 /nfs/dbraw/zinc/35/71/11/284357111.db2.gz NNLFPKLNBKIFJU-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN COCCNC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000016223671 182037826 /nfs/dbraw/zinc/03/78/26/182037826.db2.gz HQPYSRNRWQRMGB-UHFFFAOYSA-N 0 0 309.351 0.223 10 0 DCAERN CCNC(=O)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000016974947 182066964 /nfs/dbraw/zinc/06/69/64/182066964.db2.gz MYQBUCVAASKLIT-UHFFFAOYSA-N 0 0 320.389 0.996 10 0 DCAERN Cc1noc(C)c1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000288449836 220149987 /nfs/dbraw/zinc/14/99/87/220149987.db2.gz FTLXECOOYXLDGI-OAHLLOKOSA-N 0 0 323.349 0.638 10 0 DCAERN CC(C)[C@@H](C)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000017054405 182071923 /nfs/dbraw/zinc/07/19/23/182071923.db2.gz WBSZLZOCXRGSGV-SNVBAGLBSA-N 0 0 309.391 0.886 10 0 DCAERN NC(=S)c1cccnc1NCc1ccc(S(N)(=O)=O)cc1 ZINC000019232251 182110171 /nfs/dbraw/zinc/11/01/71/182110171.db2.gz BKYDRGRYHHQEFT-UHFFFAOYSA-N 0 0 322.415 0.975 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCOCC2CCC2)C1 ZINC000572694833 291582789 /nfs/dbraw/zinc/58/27/89/291582789.db2.gz CMBGINAQCHMZCX-CYBMUJFWSA-N 0 0 312.414 0.906 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000022927258 182342181 /nfs/dbraw/zinc/34/21/81/182342181.db2.gz SUZSNDMENVFJDC-UHFFFAOYSA-N 0 0 324.402 0.536 10 0 DCAERN NS(=O)(=O)Cc1ccc(NC(=O)CCn2cncn2)cc1 ZINC000025584104 182416900 /nfs/dbraw/zinc/41/69/00/182416900.db2.gz JISXWZQUVNSRTM-UHFFFAOYSA-N 0 0 309.351 0.095 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408272861 291624200 /nfs/dbraw/zinc/62/42/00/291624200.db2.gz KFYSHBHNRFWJAV-DIACKHNESA-N 0 0 308.378 0.701 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000408256056 291630829 /nfs/dbraw/zinc/63/08/29/291630829.db2.gz LILUMAYXOMCZHD-LPWJVIDDSA-N 0 0 317.407 0.626 10 0 DCAERN O=C(c1ccc2c(c1)OCO2)N1CC[C@H](N2CCOCC2)C1 ZINC000172742569 296238306 /nfs/dbraw/zinc/23/83/06/296238306.db2.gz UBSUTTIRZJXFJW-ZDUSSCGKSA-N 0 0 304.346 0.962 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)Nc1cccnc1 ZINC000101528585 193816492 /nfs/dbraw/zinc/81/64/92/193816492.db2.gz RFKCLCBLXJIVTQ-SNVBAGLBSA-N 0 0 316.317 0.548 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1C ZINC000036818135 182845171 /nfs/dbraw/zinc/84/51/71/182845171.db2.gz FIGWNYYTJXNPTF-VIFPVBQESA-N 0 0 307.755 0.461 10 0 DCAERN CNC(=O)CN(C)S(=O)(=O)c1cc(N)c(C)c(Cl)c1 ZINC000037270437 182876963 /nfs/dbraw/zinc/87/69/63/182876963.db2.gz JOIAIHWCZYNANG-UHFFFAOYSA-N 0 0 305.787 0.597 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N(C)C[C@@H]3CCCO3)nc2n1 ZINC000101690807 193835067 /nfs/dbraw/zinc/83/50/67/193835067.db2.gz HJRDDCCUKSZKMS-LBPRGKRZSA-N 0 0 303.366 0.921 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000249940675 291648819 /nfs/dbraw/zinc/64/88/19/291648819.db2.gz SXHQTBJXYYQICR-KGLIPLIRSA-N 0 0 318.377 0.844 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000037912458 182936792 /nfs/dbraw/zinc/93/67/92/182936792.db2.gz JEIOUQAXGQXQQE-VIFPVBQESA-N 0 0 304.393 0.507 10 0 DCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1N ZINC000037929252 182938171 /nfs/dbraw/zinc/93/81/71/182938171.db2.gz OHQNHOOZJWRPBH-SECBINFHSA-N 0 0 303.771 0.561 10 0 DCAERN O=C(c1cccc2c1OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753346 296257040 /nfs/dbraw/zinc/25/70/40/296257040.db2.gz IBAYFVYBZOGDEI-GFCCVEGCSA-N 0 0 304.346 0.962 10 0 DCAERN O=C(C[C@H]1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12 ZINC000042811798 183311515 /nfs/dbraw/zinc/31/15/15/183311515.db2.gz NJIRVTJLXYUINF-GFCCVEGCSA-N 0 0 300.318 0.425 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799680 194041044 /nfs/dbraw/zinc/04/10/44/194041044.db2.gz XTIKMMQZIJNODK-CQSZACIVSA-N 0 0 319.409 0.244 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)nn1C ZINC000329925386 291716274 /nfs/dbraw/zinc/71/62/74/291716274.db2.gz JRRGTQOCWPJPDR-OAHLLOKOSA-N 0 0 303.366 0.850 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)CC1=O ZINC000105810890 194135221 /nfs/dbraw/zinc/13/52/21/194135221.db2.gz BBPFNGSJMWGQPB-ZDUSSCGKSA-N 0 0 317.393 0.384 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869917 194152105 /nfs/dbraw/zinc/15/21/05/194152105.db2.gz HTSFEMWJXHAHAW-UHFFFAOYSA-N 0 0 319.453 0.796 10 0 DCAERN CC[C@H](C(N)=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894463 194161066 /nfs/dbraw/zinc/16/10/66/194161066.db2.gz JMAJGUHCEXGGTA-GDBMZVCRSA-N 0 0 321.421 0.308 10 0 DCAERN CCOc1ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc1F ZINC000106290406 194194088 /nfs/dbraw/zinc/19/40/88/194194088.db2.gz CSUJPXQVYPWJDG-VIFPVBQESA-N 0 0 318.370 0.778 10 0 DCAERN COCCN(Cc1cnn(-c2ccccc2)n1)[C@@H](C)C(N)=O ZINC000106314623 194196417 /nfs/dbraw/zinc/19/64/17/194196417.db2.gz BAFFWQDNECWZKN-LBPRGKRZSA-N 0 0 303.366 0.590 10 0 DCAERN COc1ccc(C[C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000106692420 194243825 /nfs/dbraw/zinc/24/38/25/194243825.db2.gz HFXJQQBFARNFLZ-PWSUYJOCSA-N 0 0 306.362 0.887 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccnn2C)C1 ZINC000051270015 183821477 /nfs/dbraw/zinc/82/14/77/183821477.db2.gz DYLMHBSCCOQTGO-LBPRGKRZSA-N 0 0 307.398 0.868 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000110347925 194323822 /nfs/dbraw/zinc/32/38/22/194323822.db2.gz IGPMSIFZGGCADP-KOLCDFICSA-N 0 0 310.375 0.403 10 0 DCAERN CCCn1c(=O)[nH]nc1Sc1nc(Cl)nc(OC)n1 ZINC000061596013 184176591 /nfs/dbraw/zinc/17/65/91/184176591.db2.gz SDGWLWPLSPLIQC-UHFFFAOYSA-N 0 0 302.747 0.980 10 0 DCAERN C[C@@H](NC(=O)NCCNC(=O)c1cccnc1)[C@@H]1CCCO1 ZINC000061945538 184198024 /nfs/dbraw/zinc/19/80/24/184198024.db2.gz BORWXDUASIYWFZ-YPMHNXCESA-N 0 0 306.366 0.678 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000064498523 184298824 /nfs/dbraw/zinc/29/88/24/184298824.db2.gz GEDBLRYKZLITQM-CYBMUJFWSA-N 0 0 307.325 0.891 10 0 DCAERN CCNC(=O)c1ncn(C[C@@H](O)c2ccc3c(c2)OCO3)n1 ZINC000065259603 184319102 /nfs/dbraw/zinc/31/91/02/184319102.db2.gz FOJSHBPHCLOAER-SNVBAGLBSA-N 0 0 304.306 0.490 10 0 DCAERN CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccnc2ccccc12 ZINC000065434144 184344188 /nfs/dbraw/zinc/34/41/88/184344188.db2.gz SKLAOSXLAPDPLQ-OAHLLOKOSA-N 0 0 312.373 0.671 10 0 DCAERN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C)n1cncn1 ZINC000067200650 184454056 /nfs/dbraw/zinc/45/40/56/184454056.db2.gz BLCMCAJKHXGITE-JSGCOSHPSA-N 0 0 315.377 0.655 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)NCC1(C)COC1 ZINC000112716736 194511340 /nfs/dbraw/zinc/51/13/40/194511340.db2.gz LZGUNVDDPIHERJ-UHFFFAOYSA-N 0 0 305.378 0.981 10 0 DCAERN O=C(CNC(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000112725260 194513229 /nfs/dbraw/zinc/51/32/29/194513229.db2.gz NVSKCFGLSVKYGX-SECBINFHSA-N 0 0 305.363 0.201 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2nnnn2C(C)C)C1 ZINC000328636451 532969415 /nfs/dbraw/zinc/96/94/15/532969415.db2.gz VMDQQCYLELIEHP-GHMZBOCLSA-N 0 0 307.358 0.907 10 0 DCAERN CN(C[C@H]1CCOC1)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000177272333 252605440 /nfs/dbraw/zinc/60/54/40/252605440.db2.gz LSADQBHBTAEORT-KGLIPLIRSA-N 0 0 305.378 0.761 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC1CC(O)C1 ZINC000091490145 252591756 /nfs/dbraw/zinc/59/17/56/252591756.db2.gz HTKAQQUPZDRHOP-WXRRBKDZSA-N 0 0 318.439 0.420 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2Cc3ccccc3S2)C1 ZINC000314290422 252643753 /nfs/dbraw/zinc/64/37/53/252643753.db2.gz KODLCUAZXNHYHG-IUODEOHRSA-N 0 0 306.387 0.542 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)N(C)C2CC(O)C2)cn1 ZINC000333252826 252697767 /nfs/dbraw/zinc/69/77/67/252697767.db2.gz YTMIDZGUOGODHD-CLRIEMFWSA-N 0 0 308.382 0.898 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)C1 ZINC000334110233 252793392 /nfs/dbraw/zinc/79/33/92/252793392.db2.gz BDXCPOMSGNRYAE-PLJUSGQGSA-N 0 0 324.421 0.990 10 0 DCAERN CCN(CCOCCO)S(=O)(=O)c1c(Cl)cnn1C ZINC000336810338 252795846 /nfs/dbraw/zinc/79/58/46/252795846.db2.gz ZPUVOBCCJBSSAM-UHFFFAOYSA-N 0 0 311.791 0.093 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000106039594 291833719 /nfs/dbraw/zinc/83/37/19/291833719.db2.gz CRDGRWMIJMTBFB-SDDRHHMPSA-N 0 0 320.411 0.368 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286116551 218800199 /nfs/dbraw/zinc/80/01/99/218800199.db2.gz WKQNQVJTTGNZPJ-BBBLOLIVSA-N 0 0 309.395 0.568 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000338929325 253011326 /nfs/dbraw/zinc/01/13/26/253011326.db2.gz NHBPVDSTOHRCHF-LLVKDONJSA-N 0 0 321.381 0.237 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(Br)cn2C)C[C@H]1C(N)=O ZINC000286273009 218885708 /nfs/dbraw/zinc/88/57/08/218885708.db2.gz UFMHRTLPPIEBMM-VXNVDRBHSA-N 0 0 314.183 0.981 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000343430207 253652766 /nfs/dbraw/zinc/65/27/66/253652766.db2.gz ANUTTWFSKMDYFE-LLVKDONJSA-N 0 0 316.361 0.380 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCCN2C(=O)CNC2=O)s1 ZINC000346320046 254036325 /nfs/dbraw/zinc/03/63/25/254036325.db2.gz KTSGJFYXMJTBPM-UHFFFAOYSA-N 0 0 310.335 0.616 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)no1 ZINC000163869251 220448956 /nfs/dbraw/zinc/44/89/56/220448956.db2.gz CZKZQCTWSRSMQQ-NEPJUHHUSA-N 0 0 321.381 0.573 10 0 DCAERN CCc1nc2n(n1)C[C@@H](N1C(=O)CN(CCOC)C1=O)CC2 ZINC000348906075 254263962 /nfs/dbraw/zinc/26/39/62/254263962.db2.gz FYBPPSBKYRPMLO-JTQLQIEISA-N 0 0 307.354 0.066 10 0 DCAERN CC1CCN(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)CC1 ZINC000349969306 254306674 /nfs/dbraw/zinc/30/66/74/254306674.db2.gz HWHKDTCINSHHDJ-SECBINFHSA-N 0 0 304.334 0.866 10 0 DCAERN COc1ccc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1OC ZINC000350616969 254318932 /nfs/dbraw/zinc/31/89/32/254318932.db2.gz YKCCEYCQZZKYHM-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN COc1cc(Cl)ccc1C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350621068 254319772 /nfs/dbraw/zinc/31/97/72/254319772.db2.gz PTWYEDHUVHXDTQ-SSDOTTSWSA-N 0 0 306.771 0.755 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350629645 254321145 /nfs/dbraw/zinc/32/11/45/254321145.db2.gz QJCAONBBPXMBMO-SECBINFHSA-N 0 0 314.363 0.061 10 0 DCAERN CC(=O)c1cc(NC(=O)N[C@@H]2CCC(=O)NC2=O)ccc1F ZINC000352109137 254399717 /nfs/dbraw/zinc/39/97/17/254399717.db2.gz DSRSBXXNMNHTFP-LLVKDONJSA-N 0 0 307.281 0.955 10 0 DCAERN CNC(=O)C[C@H]1CN(C(=O)c2cc(C)ccn2)Cc2ccnn21 ZINC000247826541 257117191 /nfs/dbraw/zinc/11/71/91/257117191.db2.gz JHGULBCXRJBDEO-ZDUSSCGKSA-N 0 0 313.361 0.920 10 0 DCAERN Cn1nnc(COc2ccccc2S(=O)(=O)NCC2CC2)n1 ZINC000521397042 257240502 /nfs/dbraw/zinc/24/05/02/257240502.db2.gz RRIFYURRNMVQET-UHFFFAOYSA-N 0 0 323.378 0.477 10 0 DCAERN CC(C)c1ccc(NC(=O)CN2CCN(CC(N)=O)CC2)cc1 ZINC000074191380 184964254 /nfs/dbraw/zinc/96/42/54/184964254.db2.gz JIIHJUJMTKWDEJ-UHFFFAOYSA-N 0 0 318.421 0.851 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(C)CCCO2)CC1 ZINC000152412562 533242658 /nfs/dbraw/zinc/24/26/58/533242658.db2.gz JOWAFULBMHKMAX-LRDDRELGSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H](C1CC1)N(C(=O)CN1CCN(CCO)[C@H](C)C1)C1CC1 ZINC000187734001 533364244 /nfs/dbraw/zinc/36/42/44/533364244.db2.gz YNRAIJVTLYJXRN-KGLIPLIRSA-N 0 0 309.454 0.774 10 0 DCAERN COC(=O)[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 ZINC000246688277 533493719 /nfs/dbraw/zinc/49/37/19/533493719.db2.gz ZKJAVKOWAQPFDG-KXUCPTDWSA-N 0 0 324.299 0.412 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C1=COCCC1 ZINC000275537429 130333134 /nfs/dbraw/zinc/33/31/34/130333134.db2.gz FBZXJUSIEWBUPX-GFCCVEGCSA-N 0 0 304.350 0.962 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)c1=O ZINC000275748938 130377678 /nfs/dbraw/zinc/37/76/78/130377678.db2.gz QDUXNFCGCRBOFD-MQYQWHSLSA-N 0 0 316.405 0.911 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936178 131034757 /nfs/dbraw/zinc/03/47/57/131034757.db2.gz JLNQLGJKBJEDKX-CABCVRRESA-N 0 0 304.394 0.739 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)c1cnc(OCC2CC2)cn1 ZINC000284435513 131080957 /nfs/dbraw/zinc/08/09/57/131080957.db2.gz WELIAIMDCJVLQW-NSHDSACASA-N 0 0 304.350 0.664 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ncncc2Br)C1 ZINC000284485182 131085425 /nfs/dbraw/zinc/08/54/25/131085425.db2.gz JIOADNBVULFKNY-XPUUQOCRSA-N 0 0 301.144 0.318 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000284492727 131085497 /nfs/dbraw/zinc/08/54/97/131085497.db2.gz JSYFUXJOKUYTIS-RYUDHWBXSA-N 0 0 316.365 0.358 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2cccc(Cl)c2)C1 ZINC000284566373 131092174 /nfs/dbraw/zinc/09/21/74/131092174.db2.gz JXKBFQDJLDJPCS-RYUDHWBXSA-N 0 0 312.753 0.820 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284581906 131094697 /nfs/dbraw/zinc/09/46/97/131094697.db2.gz GLJFKSMSOOVGBQ-DGCLKSJQSA-N 0 0 321.377 0.877 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)c12 ZINC000284604047 131096429 /nfs/dbraw/zinc/09/64/29/131096429.db2.gz NLADBEWVBDVBQX-PRHODGIISA-N 0 0 315.377 0.779 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000284653481 131101241 /nfs/dbraw/zinc/10/12/41/131101241.db2.gz WIHKFCCGFYFBEO-ZFWWWQNUSA-N 0 0 306.362 0.946 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000284800193 131112290 /nfs/dbraw/zinc/11/22/90/131112290.db2.gz ALMAKGGKJMAGFN-AWEZNQCLSA-N 0 0 316.279 0.485 10 0 DCAERN O=C(CN1CC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc21 ZINC000284812305 131113488 /nfs/dbraw/zinc/11/34/88/131113488.db2.gz NMFNYJTVBWAVBE-INIZCTEOSA-N 0 0 313.361 0.287 10 0 DCAERN Cc1cccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1F ZINC000284881137 131118516 /nfs/dbraw/zinc/11/85/16/131118516.db2.gz GLDUPKNAUSCWOW-BDAKNGLRSA-N 0 0 304.318 0.721 10 0 DCAERN COCCn1ccc(C(=O)N2C[C@H](COC)OC(C)(C)C2)n1 ZINC000284926743 131123375 /nfs/dbraw/zinc/12/33/75/131123375.db2.gz CULNPOWMSDMYBR-GFCCVEGCSA-N 0 0 311.382 0.796 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381661 131162106 /nfs/dbraw/zinc/16/21/06/131162106.db2.gz XVGXREBZUBMODY-UONOGXRCSA-N 0 0 318.377 0.722 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285405348 131165704 /nfs/dbraw/zinc/16/57/04/131165704.db2.gz MJZDCYNHNQNBRQ-KBPBESRZSA-N 0 0 308.382 0.906 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)c1cnn(C)c1 ZINC000285524435 131178045 /nfs/dbraw/zinc/17/80/45/131178045.db2.gz TXJOLGDODMOHMA-IACUBPJLSA-N 0 0 307.398 0.596 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C[C@H]1C(N)=O ZINC000285542643 131179582 /nfs/dbraw/zinc/17/95/82/131179582.db2.gz OHACTBQMHFHMMY-BIAAXOCRSA-N 0 0 304.346 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C[C@H]1C(N)=O ZINC000285542647 131179693 /nfs/dbraw/zinc/17/96/93/131179693.db2.gz OHACTBQMHFHMMY-FBKDDSFISA-N 0 0 304.346 0.795 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2occc2Br)C1 ZINC000285628445 131187784 /nfs/dbraw/zinc/18/77/84/131187784.db2.gz SSWVUPDWHHRDMG-LLVKDONJSA-N 0 0 317.139 0.495 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000008353812 395684501 /nfs/dbraw/zinc/68/45/01/395684501.db2.gz XPAOACTYOOUPSR-UHFFFAOYSA-N 0 0 316.361 0.380 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](CO)C1N=NC(=S)N1C ZINC000009928029 395685849 /nfs/dbraw/zinc/68/58/49/395685849.db2.gz IXWZMUGYMJKNCY-VIFPVBQESA-N 0 0 308.363 0.576 10 0 DCAERN CC(=O)O[C@@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000005481140 395682700 /nfs/dbraw/zinc/68/27/00/395682700.db2.gz QZKDRLZSJSWQPS-LZQZFOIKSA-N 0 0 302.323 0.946 10 0 DCAERN Cn1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1=O ZINC000029909123 395700590 /nfs/dbraw/zinc/70/05/90/395700590.db2.gz ZPSGIPUQYALTPQ-UHFFFAOYSA-N 0 0 309.329 0.896 10 0 DCAERN c1nc2c(ncnc2N2CCOCC2)c(N2CCOCC2)n1 ZINC000032296869 395710301 /nfs/dbraw/zinc/71/03/01/395710301.db2.gz QESGMHIAKOFWIM-UHFFFAOYSA-N 0 0 302.338 0.093 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCC[C@H](O)C1 ZINC000035623777 395721368 /nfs/dbraw/zinc/72/13/68/395721368.db2.gz SNLVFGLDIZROCL-JTQLQIEISA-N 0 0 317.363 0.828 10 0 DCAERN CNC(=O)c1cccnc1N1CCC[C@H](c2nncn2C)C1 ZINC000091428669 395724682 /nfs/dbraw/zinc/72/46/82/395724682.db2.gz BLIOWFKHQNNBPG-NSHDSACASA-N 0 0 300.366 0.954 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CSCN1)c1ccc(S(N)(=O)=O)cc1 ZINC000037015577 395725660 /nfs/dbraw/zinc/72/56/60/395725660.db2.gz XMTLPJGDTRNYET-LDYMZIIASA-N 0 0 315.420 0.174 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000091627932 395726574 /nfs/dbraw/zinc/72/65/74/395726574.db2.gz IORRINYCZBHAQQ-JTQLQIEISA-N 0 0 313.365 0.886 10 0 DCAERN Cn1cc([C@@H]2NC(=O)[C@H]3COCCN32)c(-c2cccs2)n1 ZINC000093883020 395739449 /nfs/dbraw/zinc/73/94/49/395739449.db2.gz XHWTWIZKEVBGKZ-ZWNOBZJWSA-N 0 0 304.375 0.978 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC000040693449 395734614 /nfs/dbraw/zinc/73/46/14/395734614.db2.gz IFDCXTPZXDVNSW-NSHDSACASA-N 0 0 300.384 0.230 10 0 DCAERN C[C@H](CNC(=O)CNC(=O)c1cccc(F)c1)N1CCOCC1 ZINC000097251538 395756433 /nfs/dbraw/zinc/75/64/33/395756433.db2.gz HSCUWBCIIYCUGX-GFCCVEGCSA-N 0 0 323.368 0.392 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC000108459901 395789869 /nfs/dbraw/zinc/78/98/69/395789869.db2.gz JFBLOOWFCGDVJS-UWVGGRQHSA-N 0 0 310.375 0.888 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCC(c2ccccc2)=N1 ZINC000105878160 395780759 /nfs/dbraw/zinc/78/07/59/395780759.db2.gz REBULJUWQPQILU-UHFFFAOYSA-N 0 0 310.361 0.730 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000193911141 395781968 /nfs/dbraw/zinc/78/19/68/395781968.db2.gz GMRFUCZMZGJYHG-SCVCMEIPSA-N 0 0 320.397 0.499 10 0 DCAERN CC[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1nccs1 ZINC000193938940 395782980 /nfs/dbraw/zinc/78/29/80/395782980.db2.gz BSYWSFIBVGBGDD-DTWKUNHWSA-N 0 0 305.425 0.990 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000193937689 395783059 /nfs/dbraw/zinc/78/30/59/395783059.db2.gz VRHFXKKIMMDKRG-JTQLQIEISA-N 0 0 314.411 0.396 10 0 DCAERN OC[C@H]1O[C@@H](OCCCCC2CCCCC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106382337 395783151 /nfs/dbraw/zinc/78/31/51/395783151.db2.gz PZPARHKVNAJBDB-OXGONZEZSA-N 0 0 318.410 0.554 10 0 DCAERN Cn1nccc1CNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000101982872 395768851 /nfs/dbraw/zinc/76/88/51/395768851.db2.gz HIFAJSHGJZLBQF-UHFFFAOYSA-N 0 0 313.361 0.809 10 0 DCAERN CS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000193736159 395778326 /nfs/dbraw/zinc/77/83/26/395778326.db2.gz ZVSYZZDIIURHDT-ZDUSSCGKSA-N 0 0 324.402 0.452 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)COCc2cc(C)no2)C1 ZINC000193773272 395778665 /nfs/dbraw/zinc/77/86/65/395778665.db2.gz XMQXNTCCUPGQQZ-NSHDSACASA-N 0 0 310.354 0.420 10 0 DCAERN CCc1nnc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)n1C ZINC000194649155 395803288 /nfs/dbraw/zinc/80/32/88/395803288.db2.gz CUFRSHRNQSPSFV-UHFFFAOYSA-N 0 0 305.338 0.611 10 0 DCAERN Cc1cnn(CCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000118081774 395858245 /nfs/dbraw/zinc/85/82/45/395858245.db2.gz OWJGVPUTSBYMEN-VXGBXAGGSA-N 0 0 316.427 0.655 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@]1(O)CCSC1 ZINC000270785575 395808284 /nfs/dbraw/zinc/80/82/84/395808284.db2.gz KOKRNFPSDABEQD-BXUZGUMPSA-N 0 0 308.407 0.430 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCCO ZINC000194965505 395812723 /nfs/dbraw/zinc/81/27/23/395812723.db2.gz HGCOIWNWXHMLHO-JTQLQIEISA-N 0 0 318.370 0.381 10 0 DCAERN Cc1ccc2ncnc(N3CCN(C(=O)[C@H](C)O)CC3)c2c1 ZINC000270842241 395814008 /nfs/dbraw/zinc/81/40/08/395814008.db2.gz WRKIIKZPDFRSAR-LBPRGKRZSA-N 0 0 300.362 0.968 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000195082655 395814884 /nfs/dbraw/zinc/81/48/84/395814884.db2.gz RXXMPRCUXVUWRY-LLVKDONJSA-N 0 0 310.379 0.722 10 0 DCAERN O=C([C@@H]1CC[C@H](C(F)(F)F)NC1=O)N1CCN(C2CC2)CC1 ZINC000195129862 395816696 /nfs/dbraw/zinc/81/66/96/395816696.db2.gz IIJSFYKFLSJICD-GHMZBOCLSA-N 0 0 319.327 0.750 10 0 DCAERN CCc1nnc(CS(=O)(=O)c2n[nH]c(C(C)(C)C)n2)n1C ZINC000195172905 395819403 /nfs/dbraw/zinc/81/94/03/395819403.db2.gz LYEWNAAGAQSHCP-UHFFFAOYSA-N 0 0 312.399 0.767 10 0 DCAERN CC(C)NC(=O)CC[S@](=O)Cc1nnnn1-c1ccccc1 ZINC000112730855 395823318 /nfs/dbraw/zinc/82/33/18/395823318.db2.gz MLBBXOOIKMZLLL-JOCHJYFZSA-N 0 0 321.406 0.826 10 0 DCAERN CCOCCOCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195286541 395824060 /nfs/dbraw/zinc/82/40/60/395824060.db2.gz XMAUGUWFNPFNHO-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1C ZINC000271033762 395832655 /nfs/dbraw/zinc/83/26/55/395832655.db2.gz PRKKLERLMCSCQZ-LBPRGKRZSA-N 0 0 319.283 0.536 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C[C@@H](C)O1 ZINC000049567712 395833194 /nfs/dbraw/zinc/83/31/94/395833194.db2.gz OQGUFRIZTZIRKJ-LPWJVIDDSA-N 0 0 308.378 0.797 10 0 DCAERN Cc1nc(-c2cnn(C)c2Br)c2c(=O)[nH]cnn12 ZINC000205592277 395834924 /nfs/dbraw/zinc/83/49/24/395834924.db2.gz WNOKNLJWKCKUAH-UHFFFAOYSA-N 0 0 309.127 0.889 10 0 DCAERN Nc1nccnc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000114690182 395836525 /nfs/dbraw/zinc/83/65/25/395836525.db2.gz SXBJHZQDVJYGFC-GFCCVEGCSA-N 0 0 305.382 0.386 10 0 DCAERN COCCn1cc([C@@H]2[C@@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1 ZINC000216655415 395837162 /nfs/dbraw/zinc/83/71/62/395837162.db2.gz PUNFFCQJFXHZEM-WCQYABFASA-N 0 0 308.382 0.703 10 0 DCAERN CCS(=O)(=O)CC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000115416620 395840236 /nfs/dbraw/zinc/84/02/36/395840236.db2.gz PRXZKSXWXUEFJY-UHFFFAOYSA-N 0 0 316.398 0.938 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116114083 395842110 /nfs/dbraw/zinc/84/21/10/395842110.db2.gz IFSBYLMWZAEBBW-LBPRGKRZSA-N 0 0 315.377 0.969 10 0 DCAERN NC(=O)c1cc(S(N)(=O)=O)ccc1OCC1CCOCC1 ZINC000116883690 395847820 /nfs/dbraw/zinc/84/78/20/395847820.db2.gz RFSRUEVEDRQJNU-UHFFFAOYSA-N 0 0 314.363 0.238 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 ZINC000116904509 395849487 /nfs/dbraw/zinc/84/94/87/395849487.db2.gz JTXWWIASUNHPAV-VIFPVBQESA-N 0 0 322.383 0.138 10 0 DCAERN Cc1csc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000116929904 395849592 /nfs/dbraw/zinc/84/95/92/395849592.db2.gz MVFMSQIWQTYYPH-QMMMGPOBSA-N 0 0 304.397 0.607 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccnn3)CC2)CCO1 ZINC000271245575 395851316 /nfs/dbraw/zinc/85/13/16/395851316.db2.gz JJKICQAXHMYEJQ-CHWSQXEVSA-N 0 0 305.382 0.876 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1CCOC ZINC000117526651 395853401 /nfs/dbraw/zinc/85/34/01/395853401.db2.gz QMRJPZRQGLFMSC-CQSZACIVSA-N 0 0 320.393 0.589 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccncn3)CCO2)[nH]1 ZINC000194197450 395791232 /nfs/dbraw/zinc/79/12/32/395791232.db2.gz DSSMTQMGIJDMAC-VIFPVBQESA-N 0 0 303.326 0.763 10 0 DCAERN COCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1C ZINC000108867410 395794663 /nfs/dbraw/zinc/79/46/63/395794663.db2.gz APNFPECVDPOQGE-GFCCVEGCSA-N 0 0 305.382 0.175 10 0 DCAERN CCS(=O)(=O)NCCN1CCC(Nc2cccnn2)CC1 ZINC000109328706 395797029 /nfs/dbraw/zinc/79/70/29/395797029.db2.gz BUGOTZYSGQEMPM-UHFFFAOYSA-N 0 0 313.427 0.292 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600634 395800754 /nfs/dbraw/zinc/80/07/54/395800754.db2.gz SFQGYFRWEYTBDK-CYBMUJFWSA-N 0 0 304.394 0.742 10 0 DCAERN CN(CC(=O)NC[C@@H]1CN(C)CCO1)C(=O)c1cccs1 ZINC000194612660 395801761 /nfs/dbraw/zinc/80/17/61/395801761.db2.gz XGXQBJQQJSFJDF-LLVKDONJSA-N 0 0 311.407 0.267 10 0 DCAERN Cn1cc(NC(=O)NCC(=O)NC2CCCCC2)ccc1=O ZINC000194628451 395802148 /nfs/dbraw/zinc/80/21/48/395802148.db2.gz ZJRBPKOQPQVFNF-UHFFFAOYSA-N 0 0 306.366 0.956 10 0 DCAERN C[C@H](CN1C(=O)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000047880026 395802320 /nfs/dbraw/zinc/80/23/20/395802320.db2.gz YILNPKBVUBUDIO-LLVKDONJSA-N 0 0 310.375 0.552 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCO2)ncn1 ZINC000122705658 395888943 /nfs/dbraw/zinc/88/89/43/395888943.db2.gz YRSGHQPJDGAJAK-RYUDHWBXSA-N 0 0 305.382 0.782 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ncc(C)o1 ZINC000234586173 395889326 /nfs/dbraw/zinc/88/93/26/395889326.db2.gz MHZNLRXKWHGIPY-UWVGGRQHSA-N 0 0 302.352 0.744 10 0 DCAERN COC[C@H](CO)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000234807851 395890424 /nfs/dbraw/zinc/89/04/24/395890424.db2.gz QBZOGIUGXGQZRH-QMMMGPOBSA-N 0 0 319.770 0.273 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)C1)c1ccc2c(c1)OCCO2 ZINC000054071598 395893166 /nfs/dbraw/zinc/89/31/66/395893166.db2.gz WYTDQQGLICUAPX-JTQLQIEISA-N 0 0 305.334 0.660 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)CCc2ccccc2O)CC1 ZINC000123470068 395894332 /nfs/dbraw/zinc/89/43/32/395894332.db2.gz YPVLKGMSOJQVPR-GFCCVEGCSA-N 0 0 306.362 0.376 10 0 DCAERN C[C@H](NC(=O)CN1CCO[C@H]2CCC[C@@H]21)C(=O)N1CCCCC1 ZINC000054342483 395897990 /nfs/dbraw/zinc/89/79/90/395897990.db2.gz NUCLTYPDBQRQCO-KKUMJFAQSA-N 0 0 323.437 0.757 10 0 DCAERN CCN(C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000245456177 395929607 /nfs/dbraw/zinc/92/96/07/395929607.db2.gz ISNRHAKMIQZAAL-LBPRGKRZSA-N 0 0 313.427 0.574 10 0 DCAERN CCC(CC)NC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000124038390 395899954 /nfs/dbraw/zinc/89/99/54/395899954.db2.gz ZDCYIEHUWSMVIH-WZRBSPASSA-N 0 0 300.399 0.942 10 0 DCAERN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCNC(=O)CC1 ZINC000054867748 395907519 /nfs/dbraw/zinc/90/75/19/395907519.db2.gz UOWUGXSXMLPZNJ-LBPRGKRZSA-N 0 0 307.369 0.995 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000126257788 395911687 /nfs/dbraw/zinc/91/16/87/395911687.db2.gz HNKWUQUDYNPFQY-ZDUSSCGKSA-N 0 0 312.391 0.501 10 0 DCAERN C[C@@H](Nc1ncc(I)cn1)C(=O)N(C)C ZINC000127038054 395913989 /nfs/dbraw/zinc/91/39/89/395913989.db2.gz APKICROFRGOZLS-ZCFIWIBFSA-N 0 0 320.134 0.970 10 0 DCAERN Cc1cccc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n1 ZINC000130533238 395923176 /nfs/dbraw/zinc/92/31/76/395923176.db2.gz GJYGMEVQKHIODE-UHFFFAOYSA-N 0 0 324.340 0.710 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052311655 395862584 /nfs/dbraw/zinc/86/25/84/395862584.db2.gz GLOJQDBDYKNDRG-KKUMJFAQSA-N 0 0 323.437 0.709 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCSC[C@H]1c1ccccc1 ZINC000271405286 395864328 /nfs/dbraw/zinc/86/43/28/395864328.db2.gz ISODMDJRMSCIGY-RYUDHWBXSA-N 0 0 319.386 0.901 10 0 DCAERN C[C@H](CNC(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1 ZINC000119043973 395866126 /nfs/dbraw/zinc/86/61/26/395866126.db2.gz UFMYIAWSVXDHRJ-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000228060810 395870449 /nfs/dbraw/zinc/87/04/49/395870449.db2.gz KAGQVQMAERTHIB-QMMMGPOBSA-N 0 0 321.786 0.647 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000119803899 395875618 /nfs/dbraw/zinc/87/56/18/395875618.db2.gz HDBGQGJKOXLLQI-LLVKDONJSA-N 0 0 303.366 0.467 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2cnccn2)CC1 ZINC000134473365 395931694 /nfs/dbraw/zinc/93/16/94/395931694.db2.gz CYWQBKMJYWTYHI-GFCCVEGCSA-N 0 0 312.377 0.968 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000273615544 395934103 /nfs/dbraw/zinc/93/41/03/395934103.db2.gz SNQBZURAKWURLD-LBPRGKRZSA-N 0 0 309.366 0.283 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCCC[C@H]1c1nccs1 ZINC000134830241 395935608 /nfs/dbraw/zinc/93/56/08/395935608.db2.gz LPTCECSYTWIDNY-VIFPVBQESA-N 0 0 308.363 0.749 10 0 DCAERN Cc1nc(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)no1 ZINC000134985555 395936118 /nfs/dbraw/zinc/93/61/18/395936118.db2.gz LKLUYLCYDUHNAY-SECBINFHSA-N 0 0 316.317 0.808 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCc3noc(C)n3)no2)c1 ZINC000152057503 395998910 /nfs/dbraw/zinc/99/89/10/395998910.db2.gz HVTVPCMKEMPJOQ-UHFFFAOYSA-N 0 0 302.294 0.849 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCNS(C)(=O)=O ZINC000245924398 395938453 /nfs/dbraw/zinc/93/84/53/395938453.db2.gz NPZDLSKBTLZZKM-TUAOUCFPSA-N 0 0 304.412 0.342 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)CCC1=O ZINC000135414301 395940546 /nfs/dbraw/zinc/94/05/46/395940546.db2.gz FCPPOBUGVOZAJJ-ZDUSSCGKSA-N 0 0 315.373 0.946 10 0 DCAERN CN1C[C@H](NC(=O)Cn2cc(-c3ccccc3)nn2)CCC1=O ZINC000135513421 395940637 /nfs/dbraw/zinc/94/06/37/395940637.db2.gz KZIDLFLGGKSIDO-CYBMUJFWSA-N 0 0 313.361 0.682 10 0 DCAERN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000246195371 395944041 /nfs/dbraw/zinc/94/40/41/395944041.db2.gz KECJOFBWESRYOP-KGLIPLIRSA-N 0 0 310.442 0.981 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1 ZINC000246257653 395945727 /nfs/dbraw/zinc/94/57/27/395945727.db2.gz YXBSVIWBDKXSHR-RAIGVLPGSA-N 0 0 301.346 0.868 10 0 DCAERN CN1CCO[C@H](CNc2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000246319283 395946733 /nfs/dbraw/zinc/94/67/33/395946733.db2.gz ZSWFDWVNPMIETD-QWHCGFSZSA-N 0 0 307.398 0.180 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246447660 395950533 /nfs/dbraw/zinc/95/05/33/395950533.db2.gz LILNUGLRZOEVKI-NILFDRSVSA-N 0 0 306.362 0.792 10 0 DCAERN CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000138276341 395951264 /nfs/dbraw/zinc/95/12/64/395951264.db2.gz WCMDHPMSQAYECA-UHFFFAOYSA-N 0 0 301.368 0.175 10 0 DCAERN O=C(CCCCc1c[nH]nn1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000139323353 395953400 /nfs/dbraw/zinc/95/34/00/395953400.db2.gz BDJDGLUPBUNQFQ-CQSZACIVSA-N 0 0 318.381 0.642 10 0 DCAERN O=C(COC[C@H]1CCOC1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000246584570 395953482 /nfs/dbraw/zinc/95/34/82/395953482.db2.gz BFVXLTWRIISBPW-KBPBESRZSA-N 0 0 320.393 0.615 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000246628228 395954282 /nfs/dbraw/zinc/95/42/82/395954282.db2.gz VYMYHGNTYNHNAL-CRWXNKLISA-N 0 0 312.410 0.944 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CC)COC ZINC000246610937 395954446 /nfs/dbraw/zinc/95/44/46/395954446.db2.gz CJGOZYCJRZSVIW-VXGBXAGGSA-N 0 0 306.428 0.732 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1=O ZINC000246787911 395956736 /nfs/dbraw/zinc/95/67/36/395956736.db2.gz RCYIWNUBYDUQSJ-BFHYXJOUSA-N 0 0 310.394 0.509 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)N1CCCSCC1)n1cccn1 ZINC000058903156 395956922 /nfs/dbraw/zinc/95/69/22/395956922.db2.gz LAZHESWBTYAHHZ-GFCCVEGCSA-N 0 0 310.423 0.868 10 0 DCAERN CCOc1ccnc(N2CCCN([C@H]3CCOC3=O)CC2)n1 ZINC000246789771 395957972 /nfs/dbraw/zinc/95/79/72/395957972.db2.gz ISUKVDVAMGLFMZ-LBPRGKRZSA-N 0 0 306.366 0.703 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000274558901 395958706 /nfs/dbraw/zinc/95/87/06/395958706.db2.gz IWWQWDOJBDUKGS-NXEZZACHSA-N 0 0 321.424 0.099 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)N2CCC([NH3+])CC2)c1[O-] ZINC000144354748 395963181 /nfs/dbraw/zinc/96/31/81/395963181.db2.gz ZSUVYZKDZKEFOE-UHFFFAOYSA-N 0 0 305.787 0.740 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cn1 ZINC000274639222 395963820 /nfs/dbraw/zinc/96/38/20/395963820.db2.gz KAFOJVBFFUORQJ-UWVGGRQHSA-N 0 0 313.379 0.239 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000247175240 395968076 /nfs/dbraw/zinc/96/80/76/395968076.db2.gz RNKGKSKWBPSSOL-GXFFZTMASA-N 0 0 320.361 0.622 10 0 DCAERN O=C(CN1CCCN(c2cccnn2)CC1)NC[C@H]1CCCO1 ZINC000247212636 395968766 /nfs/dbraw/zinc/96/87/66/395968766.db2.gz PUGDILUWQVQOQD-CQSZACIVSA-N 0 0 319.409 0.284 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000247292042 395970714 /nfs/dbraw/zinc/97/07/14/395970714.db2.gz HCYSCCMOVOLICI-MCIONIFRSA-N 0 0 316.357 0.928 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000062093655 395972135 /nfs/dbraw/zinc/97/21/35/395972135.db2.gz FXMTWRPFJJVUSI-UHFFFAOYSA-N 0 0 311.411 0.376 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000150824676 395973468 /nfs/dbraw/zinc/97/34/68/395973468.db2.gz MYMBNPAMIMQFIB-LBPRGKRZSA-N 0 0 321.299 0.941 10 0 DCAERN CN1C[C@H](Nc2cc(N3CCC[C@@H]3CO)ncn2)CCC1=O ZINC000150879043 395974334 /nfs/dbraw/zinc/97/43/34/395974334.db2.gz JVOWMROIVWBRLH-VXGBXAGGSA-N 0 0 305.382 0.470 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000151228550 395982354 /nfs/dbraw/zinc/98/23/54/395982354.db2.gz FUZLWXWOMOVEBK-KGLIPLIRSA-N 0 0 309.410 0.178 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151440693 395986080 /nfs/dbraw/zinc/98/60/80/395986080.db2.gz OKAUPUTWZPRPNN-IUODEOHRSA-N 0 0 307.398 0.950 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(F)cc2F)CCO1 ZINC000248437951 395987228 /nfs/dbraw/zinc/98/72/28/395987228.db2.gz HNIMVCSFUBHPDV-CHWSQXEVSA-N 0 0 300.305 0.445 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249073993 396001738 /nfs/dbraw/zinc/00/17/38/396001738.db2.gz LMAUSOPPAZKZBE-GJZGRUSLSA-N 0 0 320.499 0.978 10 0 DCAERN O=C(c1ccccn1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1 ZINC000065256837 395991258 /nfs/dbraw/zinc/99/12/58/395991258.db2.gz HQNROJQDIJTVSZ-UHFFFAOYSA-N 0 0 324.344 0.992 10 0 DCAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@](O)(C(N)=O)C1 ZINC000276391479 395991945 /nfs/dbraw/zinc/99/19/45/395991945.db2.gz YAUCZKLVAKCDPW-LBPRGKRZSA-N 0 0 318.782 0.259 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000249059521 396002072 /nfs/dbraw/zinc/00/20/72/396002072.db2.gz YEKSFPUUFCPWGV-ZFWWWQNUSA-N 0 0 300.399 0.409 10 0 DCAERN CC(C)CCn1cc(C(=O)N[C@H]2CCc3ncnn3C2)nn1 ZINC000151894115 395995734 /nfs/dbraw/zinc/99/57/34/395995734.db2.gz UAADOUJSVPOTCY-NSHDSACASA-N 0 0 303.370 0.661 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000248743492 395996113 /nfs/dbraw/zinc/99/61/13/395996113.db2.gz RWMDTJNCUXVRGQ-YPMHNXCESA-N 0 0 303.428 0.168 10 0 DCAERN CC(C)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1=O ZINC000276439578 395996487 /nfs/dbraw/zinc/99/64/87/395996487.db2.gz XCUVNMVZUBRJOH-LLVKDONJSA-N 0 0 306.366 0.606 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn(C)c1N ZINC000248764111 395997116 /nfs/dbraw/zinc/99/71/16/395997116.db2.gz ZLEVMBBWAUVMOW-JLLWLGSASA-N 0 0 306.366 0.949 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000248820956 395997445 /nfs/dbraw/zinc/99/74/45/395997445.db2.gz BNWPOMPYFJCGCN-IPYPFGDCSA-N 0 0 323.437 0.790 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cnn(C)c1 ZINC000248819299 395997502 /nfs/dbraw/zinc/99/75/02/395997502.db2.gz IWMFXUCVQMKMDP-DLOVCJGASA-N 0 0 313.379 0.382 10 0 DCAERN C[C@H](O)C[N@@H+]1CCN(CC(=O)[N-]OCc2ccccc2)C[C@@H]1C ZINC000252734762 396024283 /nfs/dbraw/zinc/02/42/83/396024283.db2.gz DQGMOQLOCNGLLU-GJZGRUSLSA-N 0 0 321.421 0.621 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CO[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000253361680 396026464 /nfs/dbraw/zinc/02/64/64/396026464.db2.gz DPOUIPJBGBQCMH-CKYFFXLPSA-N 0 0 312.391 0.936 10 0 DCAERN COCCOCCS(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000153953596 396028270 /nfs/dbraw/zinc/02/82/70/396028270.db2.gz MEELVKZFBXOUBA-LBPRGKRZSA-N 0 0 317.411 0.202 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000154115293 396031567 /nfs/dbraw/zinc/03/15/67/396031567.db2.gz GTGLPKZUYJNQOU-NSHDSACASA-N 0 0 314.769 0.469 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154127344 396031994 /nfs/dbraw/zinc/03/19/94/396031994.db2.gz FQKYRFVJNJQLFH-HNNXBMFYSA-N 0 0 322.405 0.573 10 0 DCAERN Cc1ccc(O[C@H](C)C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000154158575 396033090 /nfs/dbraw/zinc/03/30/90/396033090.db2.gz VIYKMCPAYJWOKZ-CABCVRRESA-N 0 0 322.405 0.572 10 0 DCAERN CN(CCCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1F ZINC000154748919 396042553 /nfs/dbraw/zinc/04/25/53/396042553.db2.gz WYYOCUKGKZAIHZ-NSHDSACASA-N 0 0 322.340 0.366 10 0 DCAERN Cc1nnc(CN2CCC[C@@H](NS(C)(=O)=O)C2)n1C1CC1 ZINC000154869768 396043948 /nfs/dbraw/zinc/04/39/48/396043948.db2.gz CKWDNWYQQLHDJJ-LLVKDONJSA-N 0 0 313.427 0.435 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000155174189 396047885 /nfs/dbraw/zinc/04/78/85/396047885.db2.gz UZLVTNAXQYSGQP-LBPRGKRZSA-N 0 0 304.350 0.461 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155442221 396051902 /nfs/dbraw/zinc/05/19/02/396051902.db2.gz ONCYUQYSGOBYIN-AWEZNQCLSA-N 0 0 324.446 0.773 10 0 DCAERN COCCN(C)CCNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000155537222 396053488 /nfs/dbraw/zinc/05/34/88/396053488.db2.gz JTGSRUNBLXREKP-UHFFFAOYSA-N 0 0 324.834 0.238 10 0 DCAERN CCCCn1nccc1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000155546299 396053882 /nfs/dbraw/zinc/05/38/82/396053882.db2.gz DQTCHZBSZNEOBJ-UHFFFAOYSA-N 0 0 307.354 0.952 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CC[NH2+]C[C@@H]1C ZINC000261680324 396055346 /nfs/dbraw/zinc/05/53/46/396055346.db2.gz LQCIZZYIUPXVBJ-YUMQZZPRSA-N 0 0 319.408 0.206 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000155642298 396055839 /nfs/dbraw/zinc/05/58/39/396055839.db2.gz MEZIWISKEXULJR-CYBMUJFWSA-N 0 0 310.419 0.730 10 0 DCAERN CN(Cc1noc(CN)n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000261736559 396060502 /nfs/dbraw/zinc/06/05/02/396060502.db2.gz MHJHGONUDFGWQQ-GFCCVEGCSA-N 0 0 319.340 0.905 10 0 DCAERN Cc1ccn2ncc(C(=O)NCc3nnc4n3CCCC4)c2n1 ZINC000068754880 396063057 /nfs/dbraw/zinc/06/30/57/396063057.db2.gz NPYKUZTWCKAPKX-UHFFFAOYSA-N 0 0 311.349 0.896 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@@H](C)O1 ZINC000157868400 396064238 /nfs/dbraw/zinc/06/42/38/396064238.db2.gz RUTCLNJYYBDSLU-SKDRFNHKSA-N 0 0 303.318 0.965 10 0 DCAERN [NH3+][C@H](C(=O)N1CCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000261794866 396066509 /nfs/dbraw/zinc/06/65/09/396066509.db2.gz NTACJMNSUOTISU-NSHDSACASA-N 0 0 309.332 0.447 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000277435269 396067924 /nfs/dbraw/zinc/06/79/24/396067924.db2.gz DUJSBJZRSOFJAA-AXFHLTTASA-N 0 0 308.338 0.145 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000069120061 396069927 /nfs/dbraw/zinc/06/99/27/396069927.db2.gz YGMOWFNJVPYZDX-NSHDSACASA-N 0 0 314.411 0.345 10 0 DCAERN CCN1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000249268763 396004595 /nfs/dbraw/zinc/00/45/95/396004595.db2.gz IUZJIXHPAACRNL-HUUCEWRRSA-N 0 0 323.437 0.711 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249590888 396009960 /nfs/dbraw/zinc/00/99/60/396009960.db2.gz PBOWQGYSAKBINN-UBHSHLNASA-N 0 0 319.409 0.890 10 0 DCAERN CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000152837907 396016590 /nfs/dbraw/zinc/01/65/90/396016590.db2.gz XOBYPZDQIXPWLY-HUUCEWRRSA-N 0 0 309.410 0.178 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000153088359 396020736 /nfs/dbraw/zinc/02/07/36/396020736.db2.gz LNWBDBBPQNIWIQ-KWQFWETISA-N 0 0 307.375 0.765 10 0 DCAERN COCCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]2C1=O ZINC000169756850 396091220 /nfs/dbraw/zinc/09/12/20/396091220.db2.gz NWIYBOMIKBTZRS-BETUJISGSA-N 0 0 317.345 0.782 10 0 DCAERN CO[C@H](C)c1cccc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000170729487 396097010 /nfs/dbraw/zinc/09/70/10/396097010.db2.gz DSXKYLSJBBECDA-LLVKDONJSA-N 0 0 317.345 0.893 10 0 DCAERN COC(C)(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000170966609 396102228 /nfs/dbraw/zinc/10/22/28/396102228.db2.gz VKSSDEWVXNSIRE-UHFFFAOYSA-N 0 0 300.380 0.418 10 0 DCAERN CC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000071497896 396114426 /nfs/dbraw/zinc/11/44/26/396114426.db2.gz ILRCOQWNRGZUQL-JOYOIKCWSA-N 0 0 318.329 0.739 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccnc1-n1cccn1 ZINC000171372934 396116197 /nfs/dbraw/zinc/11/61/97/396116197.db2.gz NGZRNELINNUHPJ-VXGBXAGGSA-N 0 0 300.318 0.693 10 0 DCAERN O=C(c1ccnc(-n2cncn2)c1)N1CCN2CCCC[C@H]2C1 ZINC000071839714 396118856 /nfs/dbraw/zinc/11/88/56/396118856.db2.gz AUWIPFYUVCLNFO-AWEZNQCLSA-N 0 0 312.377 0.973 10 0 DCAERN C[C@H]1CN(C(=O)CN(C)c2ncnc3nc[nH]c32)CCS1 ZINC000171570039 396118918 /nfs/dbraw/zinc/11/89/18/396118918.db2.gz SMHIJOOXUHAGPZ-VIFPVBQESA-N 0 0 306.395 0.753 10 0 DCAERN CCOc1ccnc(N2CCN([C@@H](CC)C(=O)OC)CC2)n1 ZINC000171632195 396120847 /nfs/dbraw/zinc/12/08/47/396120847.db2.gz HUGTWCICTVLGSJ-LBPRGKRZSA-N 0 0 308.382 0.949 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCC[C@H](O)C3)C2)n(C)n1 ZINC000278368749 396120977 /nfs/dbraw/zinc/12/09/77/396120977.db2.gz KJEFJDUHJVGEFT-KGLIPLIRSA-N 0 0 321.425 0.864 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000171673352 396122742 /nfs/dbraw/zinc/12/27/42/396122742.db2.gz HNPCYSAZLMEXHZ-CYBMUJFWSA-N 0 0 311.357 0.448 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cncc(O)c3)CC2)n1 ZINC000171871851 396126726 /nfs/dbraw/zinc/12/67/26/396126726.db2.gz AWLSLMPFCBNXQB-SNVBAGLBSA-N 0 0 317.349 0.998 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767624 396132909 /nfs/dbraw/zinc/13/29/09/396132909.db2.gz FHOXAAMGFIHIFY-TZMCWYRMSA-N 0 0 321.377 0.331 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@@H](N4CCOCC4)C3)ccc21 ZINC000172743191 396133012 /nfs/dbraw/zinc/13/30/12/396133012.db2.gz GYRPBBHOBXPXJX-CYBMUJFWSA-N 0 0 315.377 0.515 10 0 DCAERN Cc1cnc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000173634530 396135448 /nfs/dbraw/zinc/13/54/48/396135448.db2.gz RAYYLSHOHBTCDV-DTORHVGOSA-N 0 0 305.425 0.895 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CNC(=O)CC(C)(C)C)CCO2)[nH]1 ZINC000173538229 396135519 /nfs/dbraw/zinc/13/55/19/396135519.db2.gz PSPUSDICZVMTAV-LLVKDONJSA-N 0 0 323.397 0.565 10 0 DCAERN COc1ccnc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173880131 396136058 /nfs/dbraw/zinc/13/60/58/396136058.db2.gz BTCVEKQSSCVJFG-IUODEOHRSA-N 0 0 305.378 0.883 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000278637111 396136156 /nfs/dbraw/zinc/13/61/56/396136156.db2.gz YLSMJXMZHSAHJG-SMDDNHRTSA-N 0 0 310.423 0.373 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000278689817 396139379 /nfs/dbraw/zinc/13/93/79/396139379.db2.gz JBNUVWCABJFUPD-OAHLLOKOSA-N 0 0 322.386 0.790 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(O)ccc2Cl)C1 ZINC000277636314 396079239 /nfs/dbraw/zinc/07/92/39/396079239.db2.gz JRYFVEOJZDFTAM-QMMMGPOBSA-N 0 0 318.782 0.809 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)no1 ZINC000261925474 396080270 /nfs/dbraw/zinc/08/02/70/396080270.db2.gz KZVVQLSQQITPGK-OSMZGAPFSA-N 0 0 308.382 0.536 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)CCn2cncn2)CC1 ZINC000162400497 396081651 /nfs/dbraw/zinc/08/16/51/396081651.db2.gz KHXMESIKJCKBDN-UHFFFAOYSA-N 0 0 302.382 0.883 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1)C(F)(F)F ZINC000261949022 396082639 /nfs/dbraw/zinc/08/26/39/396082639.db2.gz JXZBZLZLADWPFA-JQWIXIFHSA-N 0 0 323.359 0.835 10 0 DCAERN CCN(C(=O)CCc1nc(C(C)(C)C)no1)[C@H]1CC(=O)NC1=O ZINC000162651579 396083328 /nfs/dbraw/zinc/08/33/28/396083328.db2.gz VBHVYEUOHYRKPY-VIFPVBQESA-N 0 0 322.365 0.563 10 0 DCAERN CO[C@@H]1CCCN(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000076552970 396205621 /nfs/dbraw/zinc/20/56/21/396205621.db2.gz HZIYHXMACPHGLH-CYBMUJFWSA-N 0 0 316.365 0.983 10 0 DCAERN CN1CCO[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264035 396162100 /nfs/dbraw/zinc/16/21/00/396162100.db2.gz MQSJORAYICPDPI-MRVPVSSYSA-N 0 0 323.777 0.483 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@]2(CCO)CCOC2)cc1 ZINC000279351121 396168118 /nfs/dbraw/zinc/16/81/18/396168118.db2.gz UAJMWHZGHYSCGC-INIZCTEOSA-N 0 0 306.362 0.941 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000177192434 396169243 /nfs/dbraw/zinc/16/92/43/396169243.db2.gz WEQQDQVAGXRMHW-CYBMUJFWSA-N 0 0 321.406 0.391 10 0 DCAERN C[C@@H]1CCCCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000074661967 396169454 /nfs/dbraw/zinc/16/94/54/396169454.db2.gz PCFRJOVPMDICBZ-LLVKDONJSA-N 0 0 303.366 0.921 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000177397421 396173346 /nfs/dbraw/zinc/17/33/46/396173346.db2.gz FUHXFQAFSBWXLN-LLVKDONJSA-N 0 0 307.354 0.311 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000177913426 396185956 /nfs/dbraw/zinc/18/59/56/396185956.db2.gz KYVHTZBQNMSISI-AWEZNQCLSA-N 0 0 323.368 0.679 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000177980125 396186362 /nfs/dbraw/zinc/18/63/62/396186362.db2.gz ULMHPSNZBALGAG-GFCCVEGCSA-N 0 0 316.365 0.555 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CSC(C)(C)C)CCO1 ZINC000262874358 396189143 /nfs/dbraw/zinc/18/91/43/396189143.db2.gz DJKDWPAICYNOLE-LLVKDONJSA-N 0 0 318.439 0.762 10 0 DCAERN C[C@@]1(CNC(=O)CNC(=O)c2ccccn2)CCCC[C@H]1O ZINC000178311956 396193734 /nfs/dbraw/zinc/19/37/34/396193734.db2.gz BPUHDTYHVDSNBY-CJNGLKHVSA-N 0 0 305.378 0.869 10 0 DCAERN O=C(NCCCc1ccccn1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000178424781 396195683 /nfs/dbraw/zinc/19/56/83/396195683.db2.gz GYIXLGPPXLNGCJ-CYBMUJFWSA-N 0 0 303.366 0.433 10 0 DCAERN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000076097612 396196664 /nfs/dbraw/zinc/19/66/64/396196664.db2.gz KGEKKFNAMWOIHH-JOYOIKCWSA-N 0 0 310.375 0.943 10 0 DCAERN C[C@H]1OCC[C@@]12CN(S(=O)(=O)c1ccccc1N)CCO2 ZINC000280483794 396204007 /nfs/dbraw/zinc/20/40/07/396204007.db2.gz NXJNFOZXZINJTD-BXUZGUMPSA-N 0 0 312.391 0.837 10 0 DCAERN CN(C)c1nc(CSCC(=O)N2CCOCC2)ns1 ZINC000180748580 396234358 /nfs/dbraw/zinc/23/43/58/396234358.db2.gz UODQZHPQAAPXLM-UHFFFAOYSA-N 0 0 302.425 0.696 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000077834371 396234958 /nfs/dbraw/zinc/23/49/58/396234958.db2.gz YGDLZZCDWVKHDD-UHFFFAOYSA-N 0 0 310.260 0.954 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)n(C)n1 ZINC000077939501 396237143 /nfs/dbraw/zinc/23/71/43/396237143.db2.gz HNWUAHKAPVWHOX-CMPLNLGQSA-N 0 0 308.382 0.588 10 0 DCAERN CC[C@H](CSC)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000181213360 396238096 /nfs/dbraw/zinc/23/80/96/396238096.db2.gz NWEGMPJJOMPPCV-SECBINFHSA-N 0 0 309.395 0.388 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000181786367 396242183 /nfs/dbraw/zinc/24/21/83/396242183.db2.gz WNVFJEOQWFUYLL-UHFFFAOYSA-N 0 0 312.333 0.904 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1F ZINC000181774020 396242399 /nfs/dbraw/zinc/24/23/99/396242399.db2.gz PKWRVHUZEYYZMN-UHFFFAOYSA-N 0 0 321.312 0.571 10 0 DCAERN CC(C)(C)OC(=O)CCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000181892045 396242902 /nfs/dbraw/zinc/24/29/02/396242902.db2.gz BLWBNPMGIHNKBR-LLVKDONJSA-N 0 0 306.428 0.732 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)C2CCOCC2)CC1 ZINC000181998205 396245112 /nfs/dbraw/zinc/24/51/12/396245112.db2.gz KTNFQOAWWLLGOJ-HIFRSBDPSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@H](C)C[S@](C)=O ZINC000182117825 396247095 /nfs/dbraw/zinc/24/70/95/396247095.db2.gz WYRHVVFDRXOGEU-GTJPDFRWSA-N 0 0 310.419 0.950 10 0 DCAERN O=C(NCCCn1ccnn1)NCCc1cn2ccccc2n1 ZINC000182144688 396247108 /nfs/dbraw/zinc/24/71/08/396247108.db2.gz HJCGAEFIPQHUES-UHFFFAOYSA-N 0 0 313.365 0.858 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCCCn1ccnn1 ZINC000182189583 396248094 /nfs/dbraw/zinc/24/80/94/396248094.db2.gz FZOBQCKYIPYZIX-UHFFFAOYSA-N 0 0 303.370 0.629 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCC[C@H](O)C2)cc1 ZINC000078571536 396248531 /nfs/dbraw/zinc/24/85/31/396248531.db2.gz AWHCCZHWUGZBFH-LBPRGKRZSA-N 0 0 313.375 0.548 10 0 DCAERN COCc1noc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000182237986 396248835 /nfs/dbraw/zinc/24/88/35/396248835.db2.gz OEQGXQCROLXXHX-UHFFFAOYSA-N 0 0 320.397 0.657 10 0 DCAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000264075046 396254057 /nfs/dbraw/zinc/25/40/57/396254057.db2.gz XPZLLHAGJCURRP-STQMWFEESA-N 0 0 319.361 0.633 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N[C@@]3(CO)CCOC3)CC2=O)cc1 ZINC000182936678 396256589 /nfs/dbraw/zinc/25/65/89/396256589.db2.gz KDNUWJCBARNZND-SUMWQHHRSA-N 0 0 318.373 0.616 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000182998475 396258180 /nfs/dbraw/zinc/25/81/80/396258180.db2.gz JAHQPWNZUWKFKF-VIFPVBQESA-N 0 0 319.287 0.195 10 0 DCAERN COCCn1c2ccccc2nc1NC(=O)[C@@H]1CNC(=O)C1 ZINC000184047817 396282366 /nfs/dbraw/zinc/28/23/66/396282366.db2.gz IQHUWRKSBFKBMS-JTQLQIEISA-N 0 0 302.334 0.757 10 0 DCAERN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](CO)C2)C1 ZINC000079090818 396261074 /nfs/dbraw/zinc/26/10/74/396261074.db2.gz ARHJDNPKAMIFHA-AZZPWZESSA-N 0 0 318.439 0.469 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)c1ccc2nnn(C)c2c1 ZINC000183265372 396265706 /nfs/dbraw/zinc/26/57/06/396265706.db2.gz FLLHCZRSVHYCPS-LBPRGKRZSA-N 0 0 306.366 0.732 10 0 DCAERN COc1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc2c1OCCO2 ZINC000282135581 396265887 /nfs/dbraw/zinc/26/58/87/396265887.db2.gz HTTHIMAHXLBJET-SNVBAGLBSA-N 0 0 320.345 0.769 10 0 DCAERN O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1COCCO1 ZINC000079833738 396270973 /nfs/dbraw/zinc/27/09/73/396270973.db2.gz ITJGXDFNKYYKDJ-AWEZNQCLSA-N 0 0 315.329 0.646 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC(=O)N(C)[C@H](C)C3)c(=O)n2c1 ZINC000282345569 396283006 /nfs/dbraw/zinc/28/30/06/396283006.db2.gz LJJSXDHSLOZKEA-LLVKDONJSA-N 0 0 314.345 0.306 10 0 DCAERN CC[C@H]1CN(c2ccccc2)CCN1C(=O)Cn1cnnn1 ZINC000183623862 396272600 /nfs/dbraw/zinc/27/26/00/396272600.db2.gz PCEYGLNPHTYXCB-ZDUSSCGKSA-N 0 0 300.366 0.801 10 0 DCAERN CCCS(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183747674 396273910 /nfs/dbraw/zinc/27/39/10/396273910.db2.gz PMHLKCSIKQPYDW-UHFFFAOYSA-N 0 0 317.386 0.887 10 0 DCAERN O=C(CNC(=O)N1CCc2ccccc2[C@H]1CO)NCC1CC1 ZINC000183789338 396275287 /nfs/dbraw/zinc/27/52/87/396275287.db2.gz HQWXABVKLUWKHV-OAHLLOKOSA-N 0 0 317.389 0.814 10 0 DCAERN CCNC(=O)C1CN(C(=O)CSc2nnc3ccccn32)C1 ZINC000183825292 396275853 /nfs/dbraw/zinc/27/58/53/396275853.db2.gz ZJIAAWSULZSSCE-UHFFFAOYSA-N 0 0 319.390 0.416 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NC[C@@]1(O)CCOC1)c1ccccc1 ZINC000178918414 396214626 /nfs/dbraw/zinc/21/46/26/396214626.db2.gz FJLOJXIZDHGBMG-HOCLYGCPSA-N 0 0 306.362 0.522 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)CCO1 ZINC000178956500 396216070 /nfs/dbraw/zinc/21/60/70/396216070.db2.gz ZFRDTJGSWWASNS-ZDUSSCGKSA-N 0 0 320.349 0.715 10 0 DCAERN COc1ccc(C)cc1-n1nnnc1S[C@H]1CCNC1=O ZINC000179005813 396219029 /nfs/dbraw/zinc/21/90/29/396219029.db2.gz NTYSSJRYNLZZFM-NSHDSACASA-N 0 0 305.363 0.960 10 0 DCAERN Cc1nc(S(=O)(=O)NCC(=O)N2CCCC2(C)C)cn1C ZINC000077352652 396219238 /nfs/dbraw/zinc/21/92/38/396219238.db2.gz UWGLPGHSEYCDAE-UHFFFAOYSA-N 0 0 314.411 0.408 10 0 DCAERN O=C(c1cccc(N[C@H]2CCNC2=O)c1)N1CCC[C@@H](O)C1 ZINC000179044902 396219876 /nfs/dbraw/zinc/21/98/76/396219876.db2.gz KSEFJPMHBJKYNZ-KGLIPLIRSA-N 0 0 303.362 0.584 10 0 DCAERN Cc1cnc(CCN(C)C(=O)CCNS(C)(=O)=O)s1 ZINC000179270038 396224859 /nfs/dbraw/zinc/22/48/59/396224859.db2.gz UTUIFUPPDHOJRD-UHFFFAOYSA-N 0 0 305.425 0.392 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000077610461 396227111 /nfs/dbraw/zinc/22/71/11/396227111.db2.gz OYJXPIZYTZATHA-GRYCIOLGSA-N 0 0 303.428 0.420 10 0 DCAERN CC(C)[C@@H](NC[C@H](O)CN1CCOCC1)c1nc(C2CC2)no1 ZINC000179813810 396230044 /nfs/dbraw/zinc/23/00/44/396230044.db2.gz DUUIIVDFJPSUFR-UONOGXRCSA-N 0 0 324.425 0.927 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000184946633 396311890 /nfs/dbraw/zinc/31/18/90/396311890.db2.gz BXTASSWPKVMGEA-OAHLLOKOSA-N 0 0 302.334 0.994 10 0 DCAERN CCS(=O)(=O)CCN(C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185043475 396314877 /nfs/dbraw/zinc/31/48/77/396314877.db2.gz CHVZVLDFPMOGBD-UHFFFAOYSA-N 0 0 312.395 0.942 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCCCn2ccnn2)cc1 ZINC000185065732 396315764 /nfs/dbraw/zinc/31/57/64/396315764.db2.gz AUEHWKIYCHXAHU-UHFFFAOYSA-N 0 0 317.349 0.223 10 0 DCAERN C[C@@H](CC(=O)NCCCn1ccnn1)NC(=O)c1ccccc1 ZINC000185079495 396316784 /nfs/dbraw/zinc/31/67/84/396316784.db2.gz MRKTXTSBVMZIQF-ZDUSSCGKSA-N 0 0 315.377 0.993 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2cccc(C)c2)C1 ZINC000185089705 396316886 /nfs/dbraw/zinc/31/68/86/396316886.db2.gz IQAVREBYHSFCLH-CQSZACIVSA-N 0 0 308.378 0.182 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000083750118 396317673 /nfs/dbraw/zinc/31/76/73/396317673.db2.gz UWTKFTLMQLHWPB-GFCCVEGCSA-N 0 0 318.381 0.438 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NC)C2)c1 ZINC000080752779 396284951 /nfs/dbraw/zinc/28/49/51/396284951.db2.gz DSIHELZNVOVNJU-SNVBAGLBSA-N 0 0 300.384 0.050 10 0 DCAERN Cc1nccc(CNC(=O)c2cn(CC3(C)COC3)nn2)n1 ZINC000184131887 396285908 /nfs/dbraw/zinc/28/59/08/396285908.db2.gz KFQHAMLXTHNPLF-UHFFFAOYSA-N 0 0 302.338 0.343 10 0 DCAERN C[C@H]1Oc2ccccc2N(CCC(=O)N2CC(CO)C2)C1=O ZINC000184223015 396288300 /nfs/dbraw/zinc/28/83/00/396288300.db2.gz OKICBEADSJMGLI-LLVKDONJSA-N 0 0 304.346 0.641 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184300421 396290056 /nfs/dbraw/zinc/29/00/56/396290056.db2.gz VYDMRVXHLILERZ-CYBMUJFWSA-N 0 0 304.412 0.454 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](OC)c1cnn(C)c1 ZINC000282436063 396290111 /nfs/dbraw/zinc/29/01/11/396290111.db2.gz SASPVFDHVSSCEZ-GHYVTOPFSA-N 0 0 321.377 0.908 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC(=O)N1C ZINC000282443137 396290922 /nfs/dbraw/zinc/29/09/22/396290922.db2.gz RWDVVZFJSOUYIA-LLVKDONJSA-N 0 0 303.362 0.691 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184335909 396291435 /nfs/dbraw/zinc/29/14/35/396291435.db2.gz CIFCZRAARKFWDU-UHFFFAOYSA-N 0 0 317.436 0.982 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184356255 396292757 /nfs/dbraw/zinc/29/27/57/396292757.db2.gz UWUSMOKVLWOGDE-GFCCVEGCSA-N 0 0 324.406 0.616 10 0 DCAERN CCCCc1nnc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)s1 ZINC000185146807 396319907 /nfs/dbraw/zinc/31/99/07/396319907.db2.gz UROFQPSCINKBPM-ZJUUUORDSA-N 0 0 314.411 0.247 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184443214 396296400 /nfs/dbraw/zinc/29/64/00/396296400.db2.gz HTBOUCBHJBXPJJ-XHDPSFHLSA-N 0 0 308.382 0.990 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000184505650 396296821 /nfs/dbraw/zinc/29/68/21/396296821.db2.gz RRBQUAFMGODQCE-ZDUSSCGKSA-N 0 0 306.366 0.620 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000283067629 396303285 /nfs/dbraw/zinc/30/32/85/396303285.db2.gz UOXKTERPWFKAJG-MWLCHTKSSA-N 0 0 300.366 0.837 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081476056 396303346 /nfs/dbraw/zinc/30/33/46/396303346.db2.gz RZQPCSIUHXAVJM-GZMMTYOYSA-N 0 0 309.288 0.364 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000184794586 396306352 /nfs/dbraw/zinc/30/63/52/396306352.db2.gz HOCRUMJAAVQHIH-GXTWGEPZSA-N 0 0 305.378 0.829 10 0 DCAERN CCc1ccc([C@@H](COC)NC[C@H](O)CN2CCOCC2)o1 ZINC000184800632 396307304 /nfs/dbraw/zinc/30/73/04/396307304.db2.gz LZZYENIWZGGORZ-DZGCQCFKSA-N 0 0 312.410 0.812 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCO[C@@]2(CCOC2)C1 ZINC000185210192 396321988 /nfs/dbraw/zinc/32/19/88/396321988.db2.gz AXTFKIZVJXPQTG-KRWDZBQOSA-N 0 0 320.389 0.803 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2cccs2)C1 ZINC000185245207 396323285 /nfs/dbraw/zinc/32/32/85/396323285.db2.gz AHLQGUDVFBFJDF-UHFFFAOYSA-N 0 0 310.375 0.684 10 0 DCAERN C/C=C/C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000185273787 396323767 /nfs/dbraw/zinc/32/37/67/396323767.db2.gz OQBHJLTUGHLFLB-PCAWENJQSA-N 0 0 312.391 0.652 10 0 DCAERN Cn1nc(C(=O)N2CCN(C3CC3)CC2)cc1OC(F)F ZINC000185301286 396324594 /nfs/dbraw/zinc/32/45/94/396324594.db2.gz MSJVCRAYFXKHBF-UHFFFAOYSA-N 0 0 300.309 0.942 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000185876605 396336569 /nfs/dbraw/zinc/33/65/69/396336569.db2.gz GZKFAPKZUMLCQD-ZDUSSCGKSA-N 0 0 317.345 0.504 10 0 DCAERN COCCn1cc(NC(=O)N2CC(NC(=O)C3CCC3)C2)cn1 ZINC000185957131 396337608 /nfs/dbraw/zinc/33/76/08/396337608.db2.gz FYSRHCQENZFMJX-UHFFFAOYSA-N 0 0 321.381 0.662 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1Cc1cc(=O)n2ccsc2n1 ZINC000185961178 396338519 /nfs/dbraw/zinc/33/85/19/396338519.db2.gz ZOAOFEDGCJQCHV-AWEZNQCLSA-N 0 0 306.391 0.986 10 0 DCAERN C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)CCS1(=O)=O ZINC000265715440 396339182 /nfs/dbraw/zinc/33/91/82/396339182.db2.gz WWMVIRHUULDAMR-NSHDSACASA-N 0 0 307.375 0.522 10 0 DCAERN CN1C[C@@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)CCC1=O ZINC000265727993 396339546 /nfs/dbraw/zinc/33/95/46/396339546.db2.gz UVUXBLGWFDJKOX-JTQLQIEISA-N 0 0 318.333 0.760 10 0 DCAERN CCC[C@H](O)CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185806144 396335016 /nfs/dbraw/zinc/33/50/16/396335016.db2.gz ASIDZARPIYPPJS-LBPRGKRZSA-N 0 0 323.397 0.999 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)C(C)C ZINC000186199298 396344319 /nfs/dbraw/zinc/34/43/19/396344319.db2.gz OVQHAZRCPSDZFE-LBPRGKRZSA-N 0 0 301.350 0.972 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)s1 ZINC000284647725 396346204 /nfs/dbraw/zinc/34/62/04/396346204.db2.gz GAQVDXSCCKHTFM-LBPRGKRZSA-N 0 0 318.420 0.366 10 0 DCAERN CCN1CCO[C@H](C(=O)N2CCN(c3cccs3)C(=O)C2)C1 ZINC000186237936 396346220 /nfs/dbraw/zinc/34/62/20/396346220.db2.gz NDJMTMZOQAKOAG-LBPRGKRZSA-N 0 0 323.418 0.644 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1noc2c1CCCCC2 ZINC000284639190 396346453 /nfs/dbraw/zinc/34/64/53/396346453.db2.gz DFFKLSFZNKXPEL-NWDGAFQWSA-N 0 0 317.349 0.905 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000186312898 396347501 /nfs/dbraw/zinc/34/75/01/396347501.db2.gz KUGMFYQRMDAPDS-UHFFFAOYSA-N 0 0 318.373 0.858 10 0 DCAERN CCOC(=O)C1(O)CCN(c2nn3cc(C)nc3s2)CC1 ZINC000265759013 396342119 /nfs/dbraw/zinc/34/21/19/396342119.db2.gz FPDDFNUKZLLKIW-UHFFFAOYSA-N 0 0 310.379 0.994 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCc2n[nH]nc2C1)C(=O)N1CCCC[C@@H]1C ZINC000283709372 396343676 /nfs/dbraw/zinc/34/36/76/396343676.db2.gz JKNDOGPBIJVCGR-SDDRHHMPSA-N 0 0 319.409 0.815 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 ZINC000186638564 396354098 /nfs/dbraw/zinc/35/40/98/396354098.db2.gz QBXUGPUWWQLFOR-IUCAKERBSA-N 0 0 310.379 0.502 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCNC(=O)c1ccccc1F ZINC000187011505 396361680 /nfs/dbraw/zinc/36/16/80/396361680.db2.gz MRECQLFCDQJQQY-UHFFFAOYSA-N 0 0 323.368 0.969 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000187240678 396365099 /nfs/dbraw/zinc/36/50/99/396365099.db2.gz PTKMUGZBBJYKGR-CQSZACIVSA-N 0 0 323.441 0.771 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000286027526 396370132 /nfs/dbraw/zinc/37/01/32/396370132.db2.gz RHYLZKADIMCZHQ-YOEHRIQHSA-N 0 0 318.373 1.000 10 0 DCAERN C[C@@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCN1CCO ZINC000187713187 396372715 /nfs/dbraw/zinc/37/27/15/396372715.db2.gz LNULWYNJYFHZEH-GFCCVEGCSA-N 0 0 305.382 0.574 10 0 DCAERN C[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)C(=O)N(C)C ZINC000186362866 396348611 /nfs/dbraw/zinc/34/86/11/396348611.db2.gz DHLBSKQDOQHBNY-CYBMUJFWSA-N 0 0 319.409 0.780 10 0 DCAERN C[C@H]1OCCN(Cc2cccc(C(=O)N(C)C)c2)[C@@H]1C(N)=O ZINC000285325122 396348733 /nfs/dbraw/zinc/34/87/33/396348733.db2.gz XVUUWSKDGJEUEJ-RISCZKNCSA-N 0 0 305.378 0.463 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCCN(c3ccccn3)CC2)cn1 ZINC000186458120 396350085 /nfs/dbraw/zinc/35/00/85/396350085.db2.gz LDDUDDTZSXHKFV-UHFFFAOYSA-N 0 0 313.361 0.737 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000285717061 396352340 /nfs/dbraw/zinc/35/23/40/396352340.db2.gz XSIUIWLJDWGSND-BLLLJJGKSA-N 0 0 304.346 0.392 10 0 DCAERN O=C(CCCCc1c[nH]nn1)N1CC(NC(=O)C2CCC2)C1 ZINC000188468556 396382526 /nfs/dbraw/zinc/38/25/26/396382526.db2.gz LLUDAAOGXJAMCU-UHFFFAOYSA-N 0 0 305.382 0.645 10 0 DCAERN NC(=O)C[C@@H](NC(=O)c1cn2ccnc2s1)C1CCOCC1 ZINC000188752136 396385732 /nfs/dbraw/zinc/38/57/32/396385732.db2.gz NAUBIVVIZUFKDS-SNVBAGLBSA-N 0 0 322.390 0.796 10 0 DCAERN COCCN1CCCN(C(=O)CCc2nc(C)no2)CC1=O ZINC000189050636 396389871 /nfs/dbraw/zinc/38/98/71/396389871.db2.gz NUAJHZFFVNZBHM-UHFFFAOYSA-N 0 0 310.354 0.018 10 0 DCAERN Cc1cccc(N2CCC(NC(=O)N3CC(CO)C3)CC2)n1 ZINC000189041088 396389975 /nfs/dbraw/zinc/38/99/75/396389975.db2.gz UTHTXFFALLVBKR-UHFFFAOYSA-N 0 0 304.394 0.993 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CC(=O)NC)[C@@H]1Oc1ccccc1 ZINC000189148363 396391555 /nfs/dbraw/zinc/39/15/55/396391555.db2.gz HFFOZNRJUQASNR-ZENOOKHLSA-N 0 0 306.362 0.864 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189249707 396392127 /nfs/dbraw/zinc/39/21/27/396392127.db2.gz ZEMBWJZXMWTTFP-OLZOCXBDSA-N 0 0 309.410 0.905 10 0 DCAERN CCN1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1=O ZINC000190213507 396402607 /nfs/dbraw/zinc/40/26/07/396402607.db2.gz IUZJIXHPAACRNL-GJZGRUSLSA-N 0 0 323.437 0.711 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NOC[C@H]1CCOC1)CC2 ZINC000190237518 396403396 /nfs/dbraw/zinc/40/33/96/396403396.db2.gz YMSITODMJPMKKK-RYUDHWBXSA-N 0 0 323.397 0.984 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[nH]1 ZINC000190487872 396407042 /nfs/dbraw/zinc/40/70/42/396407042.db2.gz HUANPQRFFZAPCF-UHFFFAOYSA-N 0 0 324.410 0.669 10 0 DCAERN CCc1nc(C2CCN(CC(=O)N3CCNC3=O)CC2)n[nH]1 ZINC000190671006 396409868 /nfs/dbraw/zinc/40/98/68/396409868.db2.gz DRCLHPMQIUQBPI-UHFFFAOYSA-N 0 0 306.370 0.098 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C(=O)N(C)CC)CC2 ZINC000190711502 396410153 /nfs/dbraw/zinc/41/01/53/396410153.db2.gz JOXWPTFIAIVUIY-WDEREUQCSA-N 0 0 322.413 0.321 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)n[nH]1 ZINC000269406876 396412155 /nfs/dbraw/zinc/41/21/55/396412155.db2.gz XRGSNTYSWZGLQN-ZWNOBZJWSA-N 0 0 306.366 0.784 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)n1 ZINC000193170066 396444830 /nfs/dbraw/zinc/44/48/30/396444830.db2.gz MKSGNKBXZGLNDY-SNVBAGLBSA-N 0 0 324.406 0.771 10 0 DCAERN CCn1cc(NC(=O)N2CCCN(CCOC)C(=O)C2)cn1 ZINC000190967800 396413025 /nfs/dbraw/zinc/41/30/25/396413025.db2.gz KUANHDYZSJEYET-UHFFFAOYSA-N 0 0 309.370 0.616 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191038940 396414644 /nfs/dbraw/zinc/41/46/44/396414644.db2.gz QJEHSTPIPXQALK-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@H](O)C2)cc1 ZINC000191208314 396416647 /nfs/dbraw/zinc/41/66/47/396416647.db2.gz NIMPUZANGIJFMH-AAEUAGOBSA-N 0 0 306.362 0.702 10 0 DCAERN C[C@@H](NC(=O)N1CCCNC(=O)[C@@H]1C)c1nnc2ccccn21 ZINC000191176032 396416755 /nfs/dbraw/zinc/41/67/55/396416755.db2.gz TXUUIOUHFGUQBD-MNOVXSKESA-N 0 0 316.365 0.710 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NC[C@H]1CC[C@@H](O)C1 ZINC000191275808 396418236 /nfs/dbraw/zinc/41/82/36/396418236.db2.gz NBABMCYCHZOLOM-NWDGAFQWSA-N 0 0 301.346 0.674 10 0 DCAERN CCCn1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)cn1 ZINC000191514291 396420644 /nfs/dbraw/zinc/42/06/44/396420644.db2.gz POIMKMGPVFOALV-GFCCVEGCSA-N 0 0 315.395 0.065 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CCN3CCO[C@H](C)C3)CCO2)c1 ZINC000191486642 396420788 /nfs/dbraw/zinc/42/07/88/396420788.db2.gz XHTOEYKDQHNUBR-CVEARBPZSA-N 0 0 308.426 0.613 10 0 DCAERN CCN1CN(CC(=O)NCCOc2cccc(C)c2)CC1=O ZINC000191549546 396421415 /nfs/dbraw/zinc/42/14/15/396421415.db2.gz XPMXCCYAZSBPKQ-UHFFFAOYSA-N 0 0 305.378 0.612 10 0 DCAERN CCN1CN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1=O ZINC000191523507 396421578 /nfs/dbraw/zinc/42/15/78/396421578.db2.gz SCNXTSNPSUPABF-CQSZACIVSA-N 0 0 306.362 0.751 10 0 DCAERN Cc1ccc(NC(=O)N2CCCN(C)C(=O)C2)cc1C(N)=O ZINC000191926411 396427110 /nfs/dbraw/zinc/42/71/10/396427110.db2.gz IFZXDCGPPNZZJN-UHFFFAOYSA-N 0 0 304.350 0.790 10 0 DCAERN COCc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)o1 ZINC000193184295 396445707 /nfs/dbraw/zinc/44/57/07/396445707.db2.gz CVUWVWCQRXWMBN-UHFFFAOYSA-N 0 0 316.379 0.534 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000287931548 396431847 /nfs/dbraw/zinc/43/18/47/396431847.db2.gz PVIMOFGACIUWRP-LOWVWBTDSA-N 0 0 306.366 0.030 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCOCCO ZINC000192692654 396435943 /nfs/dbraw/zinc/43/59/43/396435943.db2.gz KGOKOKAMLZSEBR-HIFRSBDPSA-N 0 0 322.405 0.956 10 0 DCAERN CCCN(Cc1nc(N(C)C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000192696982 396436129 /nfs/dbraw/zinc/43/61/29/396436129.db2.gz NCCVXNUGTIKIJT-SNVBAGLBSA-N 0 0 302.400 0.535 10 0 DCAERN Cc1c(C(=O)N2CC(CO)C2)nnn1Cc1ccc(F)cc1 ZINC000192893920 396439815 /nfs/dbraw/zinc/43/98/15/396439815.db2.gz VPWUELMPLSYOBH-UHFFFAOYSA-N 0 0 304.325 0.838 10 0 DCAERN Cc1nnsc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000192954869 396441023 /nfs/dbraw/zinc/44/10/23/396441023.db2.gz PWFBTERYHYXZTI-NSHDSACASA-N 0 0 324.406 0.558 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000188087599 396378866 /nfs/dbraw/zinc/37/88/66/396378866.db2.gz KVESKVJZXCNKGT-LLVKDONJSA-N 0 0 315.373 0.929 10 0 DCAERN Cn1cc(C(=O)N2CCC(C3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000372219821 396497788 /nfs/dbraw/zinc/49/77/88/396497788.db2.gz VPZSOWIPLAWUIJ-UHFFFAOYSA-N 0 0 321.377 0.765 10 0 DCAERN CCn1ncnc1CN1CCC(c2ccnn2CCO)CC1 ZINC000193325417 396449462 /nfs/dbraw/zinc/44/94/62/396449462.db2.gz KSWQZUWZWBRFPO-UHFFFAOYSA-N 0 0 304.398 0.866 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000270187897 396462627 /nfs/dbraw/zinc/46/26/27/396462627.db2.gz ZICPBVAGFUVQDE-GFCCVEGCSA-N 0 0 305.382 0.639 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@H]2C)c1 ZINC000290582894 396466866 /nfs/dbraw/zinc/46/68/66/396466866.db2.gz WHDSHJLNCPAZGY-NOZJJQNGSA-N 0 0 310.375 0.692 10 0 DCAERN Cc1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1C(N)=O ZINC000371875800 396479435 /nfs/dbraw/zinc/47/94/35/396479435.db2.gz GJJZQQBMZGOLLW-CYBMUJFWSA-N 0 0 318.377 0.642 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1N1CCOCC1 ZINC000372017134 396482811 /nfs/dbraw/zinc/48/28/11/396482811.db2.gz LOZRLFIUPHXFMI-MCIONIFRSA-N 0 0 309.410 0.082 10 0 DCAERN Cn1cc(OCC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000579991592 396482857 /nfs/dbraw/zinc/48/28/57/396482857.db2.gz WRRLYOCOZRPKQN-GFCCVEGCSA-N 0 0 306.366 0.270 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(C2CC2)n1 ZINC000291898965 396518643 /nfs/dbraw/zinc/51/86/43/396518643.db2.gz MIBMDEKJEDIALK-KGLIPLIRSA-N 0 0 304.394 0.843 10 0 DCAERN CCOC(=O)c1csc(CN2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000292528881 396554928 /nfs/dbraw/zinc/55/49/28/396554928.db2.gz FMFACZIMBNLXSY-VIFPVBQESA-N 0 0 318.420 0.939 10 0 DCAERN Cc1nccnc1N1CCN(C(=O)COC[C@@H]2CCOC2)CC1 ZINC000373000838 396559255 /nfs/dbraw/zinc/55/92/55/396559255.db2.gz IJNLQFAXUUIERA-CQSZACIVSA-N 0 0 320.393 0.487 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581583745 396566968 /nfs/dbraw/zinc/56/69/68/396566968.db2.gz SKBDLNCQWDRRAO-RKDXNWHRSA-N 0 0 309.288 0.928 10 0 DCAERN O=C(Cn1ccc(C(F)(F)F)n1)N1CCN2CCOC[C@@H]2C1 ZINC000373247094 396578717 /nfs/dbraw/zinc/57/87/17/396578717.db2.gz YEDNKLBLEZOWSS-JTQLQIEISA-N 0 0 318.299 0.445 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccon3)[C@H]2C1 ZINC000407988996 285739053 /nfs/dbraw/zinc/73/90/53/285739053.db2.gz FHLINEZLEGXCDP-AGIUHOORSA-N 0 0 316.379 0.773 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000374367722 396658931 /nfs/dbraw/zinc/65/89/31/396658931.db2.gz RWOUXVPMVHXUEM-VXGBXAGGSA-N 0 0 308.407 0.657 10 0 DCAERN C[C@@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000373573009 396600075 /nfs/dbraw/zinc/60/00/75/396600075.db2.gz DYZGWXQVLSJKOI-JOYOIKCWSA-N 0 0 307.316 0.608 10 0 DCAERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[C@H]1CCC(=O)N1 ZINC000536950396 396609811 /nfs/dbraw/zinc/60/98/11/396609811.db2.gz OQPFSZHPHSMEDV-VXGBXAGGSA-N 0 0 311.407 0.681 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[C@H]1O)CC2 ZINC000374076472 396637585 /nfs/dbraw/zinc/63/75/85/396637585.db2.gz DFUSBSSWSTWXNU-IJLUTSLNSA-N 0 0 307.398 0.616 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000374122043 396640833 /nfs/dbraw/zinc/64/08/33/396640833.db2.gz PHZPUTOHZPKXRS-SYQHCUMBSA-N 0 0 321.421 0.903 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374129696 396641321 /nfs/dbraw/zinc/64/13/21/396641321.db2.gz ICPOGXXKSVTLKJ-LYIQGSDWSA-N 0 0 319.361 0.523 10 0 DCAERN C[C@H]1CCCN(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000587125711 396671072 /nfs/dbraw/zinc/67/10/72/396671072.db2.gz ZQCCAVKWHBZAML-LBPRGKRZSA-N 0 0 303.428 0.854 10 0 DCAERN NC(=O)c1cc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)ccn1 ZINC000374539876 396671112 /nfs/dbraw/zinc/67/11/12/396671112.db2.gz VBVUELAOXOYUOD-BXUZGUMPSA-N 0 0 305.378 0.582 10 0 DCAERN Cn1c(=O)ccc2ccc(NCCN3CCCS3(=O)=O)cc21 ZINC000562599227 396671244 /nfs/dbraw/zinc/67/12/44/396671244.db2.gz APZHZJYQXVVEPZ-UHFFFAOYSA-N 0 0 321.402 0.986 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000374567847 396673529 /nfs/dbraw/zinc/67/35/29/396673529.db2.gz GDSHPVMEGWSFEO-KGLIPLIRSA-N 0 0 319.409 0.383 10 0 DCAERN COc1cccc(C(=O)NCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000374663495 396679119 /nfs/dbraw/zinc/67/91/19/396679119.db2.gz MQIFWWOODJAVOK-UHFFFAOYSA-N 0 0 315.333 0.100 10 0 DCAERN COC(=O)C1CCC(NC(=O)N2CC[C@@H](CC(N)=O)C2)CC1 ZINC000588340857 396685217 /nfs/dbraw/zinc/68/52/17/396685217.db2.gz ZWXRNUWWRYPKTK-UNXYVOJBSA-N 0 0 311.382 0.625 10 0 DCAERN CCOC(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000374796842 396688254 /nfs/dbraw/zinc/68/82/54/396688254.db2.gz FXWYJSSREWAWIJ-NSHDSACASA-N 0 0 307.354 0.530 10 0 DCAERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2ccnn2)C1 ZINC000374846089 396691542 /nfs/dbraw/zinc/69/15/42/396691542.db2.gz NVFGJRJIARLVLP-NSHDSACASA-N 0 0 309.370 0.965 10 0 DCAERN Cc1noc(-c2cccnc2N2CCN3CCOC[C@H]3C2)n1 ZINC000374914667 396697017 /nfs/dbraw/zinc/69/70/17/396697017.db2.gz SCWTWTMGBXYKEG-GFCCVEGCSA-N 0 0 301.350 0.961 10 0 DCAERN O=C(NCCCO)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000374979596 396702072 /nfs/dbraw/zinc/70/20/72/396702072.db2.gz IXWOXQRAFNUDAO-CYBMUJFWSA-N 0 0 321.377 0.348 10 0 DCAERN CN1CC[C@@H](C(=O)N2CC(O)(c3ccc(F)cc3)C2)CC1=O ZINC000375016320 396704349 /nfs/dbraw/zinc/70/43/49/396704349.db2.gz KUFAKDJYVGUXNX-LLVKDONJSA-N 0 0 306.337 0.724 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375025345 396705268 /nfs/dbraw/zinc/70/52/68/396705268.db2.gz SPFCGVFRPWBIRV-UHFFFAOYSA-N 0 0 301.339 0.290 10 0 DCAERN C[S@](=O)C1(CNC(=O)C(=O)N2CCCSCC2)CCC1 ZINC000589248322 396710318 /nfs/dbraw/zinc/71/03/18/396710318.db2.gz UJHZPTXIPUTVRK-FQEVSTJZSA-N 0 0 318.464 0.369 10 0 DCAERN COCc1nc(C)cc(N2CCN(Cc3nccn3C)CC2)n1 ZINC000301431806 396716627 /nfs/dbraw/zinc/71/66/27/396716627.db2.gz OXOQUDSZESANTH-UHFFFAOYSA-N 0 0 316.409 0.987 10 0 DCAERN O=S(=O)(CCC(F)(F)F)N1CCCN(CCO)CC1 ZINC000375189179 396717192 /nfs/dbraw/zinc/71/71/92/396717192.db2.gz SZADDHVJGKFBTG-UHFFFAOYSA-N 0 0 304.334 0.269 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000375215556 396718764 /nfs/dbraw/zinc/71/87/64/396718764.db2.gz NUEMAEHHHKHNGD-XJFOESAGSA-N 0 0 321.439 0.867 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)c1cccc2c1OCO2 ZINC000375231525 396720230 /nfs/dbraw/zinc/72/02/30/396720230.db2.gz YPVLVCKEXNMRFC-NSHDSACASA-N 0 0 316.317 0.758 10 0 DCAERN C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000375673368 396793299 /nfs/dbraw/zinc/79/32/99/396793299.db2.gz GAPAWBHVVUBRBW-LRDDRELGSA-N 0 0 312.410 0.953 10 0 DCAERN COC[C@@](C)(CO)NC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000610584453 396733262 /nfs/dbraw/zinc/73/32/62/396733262.db2.gz TZLHQSWYVGXVRS-ZUOKHONESA-N 0 0 300.380 0.943 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466539 396752917 /nfs/dbraw/zinc/75/29/17/396752917.db2.gz VCEIYMIUDCPUDP-LLVKDONJSA-N 0 0 321.381 0.972 10 0 DCAERN NC(=O)[C@@]1(O)CCN(c2ncc(Cl)cc2Br)C1 ZINC000310324719 396760180 /nfs/dbraw/zinc/76/01/80/396760180.db2.gz YMUMOYMXPMPCHR-SNVBAGLBSA-N 0 0 320.574 0.924 10 0 DCAERN O=C(CSc1nnnn1C1CC1)NCC[C@H](O)C(F)F ZINC000633993828 396766570 /nfs/dbraw/zinc/76/65/70/396766570.db2.gz PJLMMBHJULRQRX-ZETCQYMHSA-N 0 0 307.326 0.232 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)NCC[C@@H](O)C(F)F)CS2 ZINC000633995136 396766839 /nfs/dbraw/zinc/76/68/39/396766839.db2.gz QNIQPTFIEZRJKT-RWYTXXIDSA-N 0 0 308.350 0.573 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000610841961 396770617 /nfs/dbraw/zinc/77/06/17/396770617.db2.gz SRAFLFVJCDACPV-ZDUSSCGKSA-N 0 0 321.377 0.972 10 0 DCAERN CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1ccnn1C ZINC000328620620 396824938 /nfs/dbraw/zinc/82/49/38/396824938.db2.gz HDLUNYAPORUFSI-LLVKDONJSA-N 0 0 309.395 0.500 10 0 DCAERN CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1c1nccn1C ZINC000328622860 396825141 /nfs/dbraw/zinc/82/51/41/396825141.db2.gz ISJSSHWDVUIZKX-ZDUSSCGKSA-N 0 0 302.382 0.591 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)C[C@H]3C=CCC3)C1)C2 ZINC000328625173 396825486 /nfs/dbraw/zinc/82/54/86/396825486.db2.gz CWHRUNQYJUMKSN-ZDUSSCGKSA-N 0 0 301.394 0.969 10 0 DCAERN c1nnc2n1CCN(c1cc(N[C@@H]3CCCOC3)ncn1)C2 ZINC000328648989 396829343 /nfs/dbraw/zinc/82/93/43/396829343.db2.gz UVONPIAXZFFEGS-LLVKDONJSA-N 0 0 301.354 0.679 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000328644084 396829416 /nfs/dbraw/zinc/82/94/16/396829416.db2.gz RQKWOMTUODWBCJ-BFHYXJOUSA-N 0 0 304.394 0.934 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)CCc3ccoc3)C1)C2 ZINC000328651075 396831642 /nfs/dbraw/zinc/83/16/42/396831642.db2.gz VVGUWFZOBGEXOP-UHFFFAOYSA-N 0 0 315.377 0.839 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375938702 396846819 /nfs/dbraw/zinc/84/68/19/396846819.db2.gz UTIXAFFUWDVXGT-SQWLQELKSA-N 0 0 323.437 0.661 10 0 DCAERN Cc1noc(C)c1NC(=O)NCCCN1CCCS1(=O)=O ZINC000590842557 396849258 /nfs/dbraw/zinc/84/92/58/396849258.db2.gz NEAFKUCZUJEIGB-UHFFFAOYSA-N 0 0 316.383 0.839 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2ccncc2Br)C1 ZINC000625411329 396864994 /nfs/dbraw/zinc/86/49/94/396864994.db2.gz YKCLDUMIWDVSEB-GFCCVEGCSA-N 0 0 314.183 0.656 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000376104169 396877736 /nfs/dbraw/zinc/87/77/36/396877736.db2.gz VBJCVDSKLQOBGP-NSHDSACASA-N 0 0 324.362 0.936 10 0 DCAERN C[C@@H](O)C[C@H]1CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332917295 396904713 /nfs/dbraw/zinc/90/47/13/396904713.db2.gz ZDOMNKNNZJJQSR-FVCCEPFGSA-N 0 0 309.370 0.163 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(S(=O)(=O)[C@@H]1CCCOC1)C[C@@H](C)O2 ZINC000333282029 396920912 /nfs/dbraw/zinc/92/09/12/396920912.db2.gz JSXOYDDZYRPFSS-XJFOESAGSA-N 0 0 319.423 0.764 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cccc(Cl)c1F ZINC000625597282 396942356 /nfs/dbraw/zinc/94/23/56/396942356.db2.gz NPWIJWIFGVLDKN-IUCAKERBSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NCc2cn(C)nn2)c1 ZINC000611934984 396951426 /nfs/dbraw/zinc/95/14/26/396951426.db2.gz JMYAPXKAHRDSEH-UHFFFAOYSA-N 0 0 324.362 0.221 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 ZINC000611934953 396951555 /nfs/dbraw/zinc/95/15/55/396951555.db2.gz IYKKFIVGUROXHS-UHFFFAOYSA-N 0 0 324.362 0.470 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000618316793 396958167 /nfs/dbraw/zinc/95/81/67/396958167.db2.gz KKDCCTLIBRUSRI-RAIGVLPGSA-N 0 0 316.423 0.469 10 0 DCAERN Cc1nscc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618675287 397009105 /nfs/dbraw/zinc/00/91/05/397009105.db2.gz FULAWOXYICLXKN-MRVPVSSYSA-N 0 0 303.409 0.557 10 0 DCAERN CNc1ccccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618682143 397013128 /nfs/dbraw/zinc/01/31/28/397013128.db2.gz YSJQBGPGIHWYQU-LLVKDONJSA-N 0 0 311.407 0.834 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)c1ccco1 ZINC000618718656 397016897 /nfs/dbraw/zinc/01/68/97/397016897.db2.gz FWDYKNKIZFJOLJ-AXFHLTTASA-N 0 0 310.350 0.956 10 0 DCAERN CN(C(=O)CN1CCn2c(nnc2-c2cccnc2)C1)C1CC1 ZINC000377126899 397033351 /nfs/dbraw/zinc/03/33/51/397033351.db2.gz KROIKJHMRNBJTQ-UHFFFAOYSA-N 0 0 312.377 0.777 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000597638713 397041428 /nfs/dbraw/zinc/04/14/28/397041428.db2.gz FGVRYHCQYZKSED-MVXISAMASA-N 0 0 324.377 0.416 10 0 DCAERN COCCN(CC(=O)[O-])C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630571412 397048945 /nfs/dbraw/zinc/04/89/45/397048945.db2.gz WGRIOHVAFTXMIF-CQSZACIVSA-N 0 0 323.393 0.005 10 0 DCAERN c1c([C@@H]2COCCN2)nnn1C[C@@H]1COc2ccccc2O1 ZINC000630604381 397059140 /nfs/dbraw/zinc/05/91/40/397059140.db2.gz VZSJHRPWGFFOQG-YPMHNXCESA-N 0 0 302.334 0.779 10 0 DCAERN CC(=O)N(C)CCc1noc(-c2cc3c(cn2)OCCO3)n1 ZINC000351325777 397124901 /nfs/dbraw/zinc/12/49/01/397124901.db2.gz CDLSUEUDZXXDTQ-UHFFFAOYSA-N 0 0 304.306 0.924 10 0 DCAERN O=S1(=O)CCc2nnc([C@H]3Cc4ccccc4O3)n2CC1 ZINC000630950647 397146235 /nfs/dbraw/zinc/14/62/35/397146235.db2.gz DRKLZPAVTYQHDR-GFCCVEGCSA-N 0 0 305.359 0.925 10 0 DCAERN CCN1CC[C@@H](NC(=O)NC[C@H]2CCc3nnc(C)n3C2)C1=O ZINC000619803553 397196167 /nfs/dbraw/zinc/19/61/67/397196167.db2.gz LXTXZPLUAMSLPT-VXGBXAGGSA-N 0 0 320.397 0.069 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@H](CO)C1 ZINC000378236102 397217818 /nfs/dbraw/zinc/21/78/18/397217818.db2.gz RVSXCTKFLJVRMG-LBPRGKRZSA-N 0 0 301.412 0.820 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000364550604 397219759 /nfs/dbraw/zinc/21/97/59/397219759.db2.gz HSOFHDGEWYBBJY-WDEREUQCSA-N 0 0 304.394 0.985 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1C[C@H](F)C[C@H]1CO ZINC000364610432 397227236 /nfs/dbraw/zinc/22/72/36/397227236.db2.gz JTQZHRMKSYIUJG-APPZFPTMSA-N 0 0 301.347 0.031 10 0 DCAERN COCCN1CC(=O)N([C@@H]2CCCN(c3ccccn3)C2)C1=O ZINC000378515630 397250653 /nfs/dbraw/zinc/25/06/53/397250653.db2.gz GWZINZFMDAIUBB-CYBMUJFWSA-N 0 0 318.377 0.961 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000364723228 397238916 /nfs/dbraw/zinc/23/89/16/397238916.db2.gz RVILXDCYDPCFMO-CYBMUJFWSA-N 0 0 303.362 0.477 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000378460107 397242669 /nfs/dbraw/zinc/24/26/69/397242669.db2.gz UWXYHUFMPKPZIL-VXGBXAGGSA-N 0 0 305.382 0.366 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000365366177 397270957 /nfs/dbraw/zinc/27/09/57/397270957.db2.gz RKUFKBRXXAOZHP-FRRDWIJNSA-N 0 0 303.424 0.941 10 0 DCAERN COC[C@@](C)(CO)NC(=O)CCc1ccc(C(=O)OC)cc1 ZINC000613534188 397274933 /nfs/dbraw/zinc/27/49/33/397274933.db2.gz KCZUKKDSDGNCFD-MRXNPFEDSA-N 0 0 309.362 0.919 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000384755950 397281214 /nfs/dbraw/zinc/28/12/14/397281214.db2.gz PDBNWDNNMNUJJT-GRYCIOLGSA-N 0 0 304.412 0.030 10 0 DCAERN CC(=O)CCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000620732051 397298922 /nfs/dbraw/zinc/29/89/22/397298922.db2.gz FCMAWAXJMUZJIC-UHFFFAOYSA-N 0 0 316.404 0.649 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCC1(F)F ZINC000398032122 397313461 /nfs/dbraw/zinc/31/34/61/397313461.db2.gz LTRYRQVFVVIYOF-QMMMGPOBSA-N 0 0 300.327 0.504 10 0 DCAERN CCCC(=O)N1CCCC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000378555040 397255435 /nfs/dbraw/zinc/25/54/35/397255435.db2.gz ZNCWYQZHHRPMDB-ZDUSSCGKSA-N 0 0 305.382 0.843 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)C2CCC(C)CC2)CCO1 ZINC000407247978 397332371 /nfs/dbraw/zinc/33/23/71/397332371.db2.gz FNEIXBSTWZBHFB-MCIGGMRASA-N 0 0 305.396 0.769 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)cn1 ZINC000407959396 397336979 /nfs/dbraw/zinc/33/69/79/397336979.db2.gz ULLYVTLLQHOQFU-UHFFFAOYSA-N 0 0 312.395 0.459 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407957771 397337225 /nfs/dbraw/zinc/33/72/25/397337225.db2.gz POYQWJHRPSHDEK-UHFFFAOYSA-N 0 0 304.350 0.053 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC(=O)N1C ZINC000407961803 397337907 /nfs/dbraw/zinc/33/79/07/397337907.db2.gz AODCTRVIQLTDCN-NWDGAFQWSA-N 0 0 321.381 0.614 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000407963774 397339120 /nfs/dbraw/zinc/33/91/20/397339120.db2.gz DTWHPOLQPTXAFY-CYBMUJFWSA-N 0 0 321.425 0.725 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(c3cnccc3C)CC2)C1 ZINC000407965956 397339624 /nfs/dbraw/zinc/33/96/24/397339624.db2.gz XMOFCGNVMLEHKH-UHFFFAOYSA-N 0 0 302.378 0.517 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000407967394 397340894 /nfs/dbraw/zinc/34/08/94/397340894.db2.gz QJEQKVJMAMLMJS-RYUDHWBXSA-N 0 0 313.423 0.425 10 0 DCAERN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC000599114303 397342516 /nfs/dbraw/zinc/34/25/16/397342516.db2.gz AIXVFJNWCDYEQW-CQSZACIVSA-N 0 0 324.425 0.684 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCN(C2CC2)C(=O)C1 ZINC000407971526 397342655 /nfs/dbraw/zinc/34/26/55/397342655.db2.gz IVOSLOKENSVLIX-LLVKDONJSA-N 0 0 304.354 0.129 10 0 DCAERN CCC1(O)CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408016933 397343736 /nfs/dbraw/zinc/34/37/36/397343736.db2.gz JZAGVARGJPUZPI-NSHDSACASA-N 0 0 304.412 0.462 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000408077557 397345954 /nfs/dbraw/zinc/34/59/54/397345954.db2.gz ZBDQLHALQFRDRR-GHMZBOCLSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cc(C(=O)N2CCCN(c3cccnn3)CC2)nn1C ZINC000408088459 397346004 /nfs/dbraw/zinc/34/60/04/397346004.db2.gz FXEOZHGYXZBSOZ-UHFFFAOYSA-N 0 0 300.366 0.871 10 0 DCAERN CN1Cc2cc(NC(=O)CN3CCOCC3=O)ccc2NC1=O ZINC000366181452 397347628 /nfs/dbraw/zinc/34/76/28/397347628.db2.gz JCUVJUJTPDGMQV-UHFFFAOYSA-N 0 0 318.333 0.461 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CC[C@@H](C)C3)[C@H]2C1 ZINC000408135276 397348161 /nfs/dbraw/zinc/34/81/61/397348161.db2.gz XRTUUFOEKHYOAM-MQYQWHSLSA-N 0 0 318.439 0.841 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408289143 397352040 /nfs/dbraw/zinc/35/20/40/397352040.db2.gz CXNMSVBOKXRHQA-VHSXEESVSA-N 0 0 300.384 0.178 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000408301552 397353018 /nfs/dbraw/zinc/35/30/18/397353018.db2.gz BERNXNGWCSCNKC-HKTXDFAPSA-N 0 0 311.411 0.664 10 0 DCAERN C[C@H]1CC[S@](=O)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408397795 397355651 /nfs/dbraw/zinc/35/56/51/397355651.db2.gz ZIKQFGZTPTZJJK-FVINQWEUSA-N 0 0 301.412 0.160 10 0 DCAERN CO[C@@H]1CN(Cc2cnc(-c3cnn(C)c3)nc2)C[C@@H]1OC ZINC000366273630 397360513 /nfs/dbraw/zinc/36/05/13/397360513.db2.gz SRLAGDULULPKAK-OKILXGFUSA-N 0 0 303.366 0.723 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000366504219 397368567 /nfs/dbraw/zinc/36/85/67/397368567.db2.gz JRAOJTDCALZCHD-CLPYTZEMSA-N 0 0 317.407 0.815 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H](c2ccccc2)[C@H](C)O)nn1 ZINC000620981497 397328917 /nfs/dbraw/zinc/32/89/17/397328917.db2.gz GOLMLHWEWXMNMF-XHDPSFHLSA-N 0 0 302.334 0.719 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CC[S@@](=O)C2)no1 ZINC000578406878 397431747 /nfs/dbraw/zinc/43/17/47/397431747.db2.gz JSIRHYDCGHTVQW-FFVOIRBGSA-N 0 0 300.384 0.687 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000614419678 397434678 /nfs/dbraw/zinc/43/46/78/397434678.db2.gz SWKGTCIPMIYSPD-HBNTYKKESA-N 0 0 309.366 0.248 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)[C@H](C)OC ZINC000466728217 397446024 /nfs/dbraw/zinc/44/60/24/397446024.db2.gz HQZUHQVZNIMGJK-GARJFASQSA-N 0 0 308.400 0.272 10 0 DCAERN CCNC(=O)CNC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000370167419 397450864 /nfs/dbraw/zinc/45/08/64/397450864.db2.gz OHSBUYAIUXGTBG-OAHLLOKOSA-N 0 0 313.398 0.886 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)Nc2cnn(CC(=O)N(C)C)c2)C1 ZINC000471984877 397451451 /nfs/dbraw/zinc/45/14/51/397451451.db2.gz IUOFWPZMTHBPCE-PWSUYJOCSA-N 0 0 309.370 0.660 10 0 DCAERN CCC[C@@](C)(O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602428879 397397338 /nfs/dbraw/zinc/39/73/38/397397338.db2.gz YTMJJIPKFKYDJX-CYBMUJFWSA-N 0 0 321.443 0.262 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N(C[C@H]2CCC(=O)N2)C(C)C)C1 ZINC000621578342 397399973 /nfs/dbraw/zinc/39/99/73/397399973.db2.gz LGVAXJJWYNLSEZ-CHWSQXEVSA-N 0 0 310.398 0.306 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1 ZINC000578635457 397463807 /nfs/dbraw/zinc/46/38/07/397463807.db2.gz DCPHUQQXABDROB-IJLUTSLNSA-N 0 0 321.381 0.885 10 0 DCAERN CC(=O)CSCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000578710668 397473053 /nfs/dbraw/zinc/47/30/53/397473053.db2.gz CDPPYTDLIGDZLU-UHFFFAOYSA-N 0 0 316.404 0.272 10 0 DCAERN CCOC(=O)c1ncc(CN2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000602777582 397481522 /nfs/dbraw/zinc/48/15/22/397481522.db2.gz GVMXDZRIBSSAHM-SECBINFHSA-N 0 0 318.420 0.939 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC000614651111 397491144 /nfs/dbraw/zinc/49/11/44/397491144.db2.gz WVXTVXHUKCHMTO-LBPRGKRZSA-N 0 0 312.410 0.897 10 0 DCAERN CC(=O)N(CC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccccc1 ZINC000603138857 397574793 /nfs/dbraw/zinc/57/47/93/397574793.db2.gz UZTDTRYNGSNHKN-RXSFTSLZSA-N 0 0 306.387 0.771 10 0 DCAERN COC[C@@H](C)OC[C@H](O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000579579753 397581262 /nfs/dbraw/zinc/58/12/62/397581262.db2.gz BGJQNZHJPNKZET-MCIONIFRSA-N 0 0 303.399 0.815 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000608246025 397723216 /nfs/dbraw/zinc/72/32/16/397723216.db2.gz XNOOSEZZHIBEFI-BFHYXJOUSA-N 0 0 308.382 0.547 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc(Cl)cn1 ZINC000605510341 397666275 /nfs/dbraw/zinc/66/62/75/397666275.db2.gz BURMXTLSCVROKC-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN CNC(=O)[C@H]1CCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000605575454 397668095 /nfs/dbraw/zinc/66/80/95/397668095.db2.gz ASGUZZRYBUDRGB-SNVBAGLBSA-N 0 0 308.407 0.781 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)NCc1nnnn1C1CC1 ZINC000608044677 397714786 /nfs/dbraw/zinc/71/47/86/397714786.db2.gz XUOGAUOJNYPDRW-UHFFFAOYSA-N 0 0 311.342 0.934 10 0 DCAERN CCOC(=O)C1(O)CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000610342802 397815452 /nfs/dbraw/zinc/81/54/52/397815452.db2.gz YXTHHQUWCXRXPX-UHFFFAOYSA-N 0 0 319.361 0.884 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000367740600 296590258 /nfs/dbraw/zinc/59/02/58/296590258.db2.gz LUKOJJAKQSPUJO-SNVBAGLBSA-N 0 0 316.379 0.580 10 0 DCAERN COc1c(C)cnc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1C ZINC000116890834 286182900 /nfs/dbraw/zinc/18/29/00/286182900.db2.gz KDYIMRVASKVBTP-GFCCVEGCSA-N 0 0 313.423 0.831 10 0 DCAERN COCC1(C)CCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408054713 292225533 /nfs/dbraw/zinc/22/55/33/292225533.db2.gz OMKKKJCDLKLWJZ-MRXNPFEDSA-N 0 0 312.410 0.635 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C2(C(=O)NC)CC2)C12CCOCC2 ZINC000186450920 286341615 /nfs/dbraw/zinc/34/16/15/286341615.db2.gz BRNUGYMJHTVFSB-NWDGAFQWSA-N 0 0 310.394 0.603 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](CC)C1 ZINC000044864588 157997248 /nfs/dbraw/zinc/99/72/48/157997248.db2.gz GJAXHKIJXSPAOW-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(O)cc1 ZINC000049502701 158010541 /nfs/dbraw/zinc/01/05/41/158010541.db2.gz OFYMYQCNQKRCOC-LLVKDONJSA-N 0 0 300.380 0.391 10 0 DCAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cscn1 ZINC000050408716 158012303 /nfs/dbraw/zinc/01/23/03/158012303.db2.gz DWHXWAWFWLAMGM-UHFFFAOYSA-N 0 0 308.363 0.624 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCO[C@H](C(N)=O)C1 ZINC000051131624 158013643 /nfs/dbraw/zinc/01/36/43/158013643.db2.gz OTASNRLTKJJSTP-SCRDCRAPSA-N 0 0 305.378 0.438 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)CN(C)C[C@@H]1CCCO1)C(=O)OC ZINC000052101911 158016552 /nfs/dbraw/zinc/01/65/52/158016552.db2.gz BTYZTTMQYPFNJH-MBNYWOFBSA-N 0 0 300.399 0.801 10 0 DCAERN COc1ccccc1CNC(=O)[C@@H](C)N1CCNC(=O)CC1 ZINC000054259034 158020327 /nfs/dbraw/zinc/02/03/27/158020327.db2.gz XODRUJPYTJQZMC-GFCCVEGCSA-N 0 0 305.378 0.522 10 0 DCAERN O=C1NCCN1c1ccc(NS(=O)(=O)N2CCCC2)cc1 ZINC000054404945 158021056 /nfs/dbraw/zinc/02/10/56/158021056.db2.gz ISTUEGBVLUMGTG-UHFFFAOYSA-N 0 0 310.379 0.969 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)NCc1ccco1 ZINC000056260328 158024266 /nfs/dbraw/zinc/02/42/66/158024266.db2.gz XNXLEFHPICHCOR-UHFFFAOYSA-N 0 0 324.381 0.452 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)CNC(N)=O)cc1F ZINC000063123450 158031216 /nfs/dbraw/zinc/03/12/16/158031216.db2.gz PLUYMAHUUUEFCA-UHFFFAOYSA-N 0 0 305.313 0.604 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)NCC(=O)NCc1ccco1 ZINC000065580912 158034290 /nfs/dbraw/zinc/03/42/90/158034290.db2.gz CKMQJKJNUFTPIA-NSHDSACASA-N 0 0 310.354 0.239 10 0 DCAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCNC(=O)CC2)c1C ZINC000065903393 158034605 /nfs/dbraw/zinc/03/46/05/158034605.db2.gz AFRCWWQTWBFPOD-UHFFFAOYSA-N 0 0 307.350 0.770 10 0 DCAERN CCS(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000066903619 158037282 /nfs/dbraw/zinc/03/72/82/158037282.db2.gz FBVHNDQFLONFDQ-UHFFFAOYSA-N 0 0 317.455 0.212 10 0 DCAERN O=C(CN1CCCS1(=O)=O)NCCCc1cccc(F)c1 ZINC000068179048 158041609 /nfs/dbraw/zinc/04/16/09/158041609.db2.gz PFIYMKQBEJZFKU-UHFFFAOYSA-N 0 0 314.382 0.910 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCNC(=O)C(C)C)cc1C ZINC000068966241 158043894 /nfs/dbraw/zinc/04/38/94/158043894.db2.gz PDWPTSZVIMZIBR-UHFFFAOYSA-N 0 0 319.405 0.922 10 0 DCAERN Cn1cccc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000069637719 158045462 /nfs/dbraw/zinc/04/54/62/158045462.db2.gz PXXMRBWBQDPKLJ-UHFFFAOYSA-N 0 0 305.378 0.736 10 0 DCAERN CN(C)C(=O)CNc1ccccc1C(=O)N1CCC[C@@H]1CO ZINC000069770150 158046360 /nfs/dbraw/zinc/04/63/60/158046360.db2.gz NHWDOVXPFLRICA-GFCCVEGCSA-N 0 0 305.378 0.784 10 0 DCAERN NC(=O)NCCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000072782153 158052192 /nfs/dbraw/zinc/05/21/92/158052192.db2.gz CXFGTHHYZRLTRO-UHFFFAOYSA-N 0 0 316.365 0.494 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1=NNC(=O)CC1 ZINC000073843404 158057226 /nfs/dbraw/zinc/05/72/26/158057226.db2.gz KYOPSHGFRRKICW-UHFFFAOYSA-N 0 0 318.333 0.266 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000076418405 158064792 /nfs/dbraw/zinc/06/47/92/158064792.db2.gz QUTBWUOGYBXIOL-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000077806916 158069845 /nfs/dbraw/zinc/06/98/45/158069845.db2.gz GQYNLNSNWPDPOT-NEPJUHHUSA-N 0 0 305.378 0.892 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000078605303 158074467 /nfs/dbraw/zinc/07/44/67/158074467.db2.gz UJRPUHNGVGDXGQ-AVGNSLFASA-N 0 0 312.410 0.896 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000079325736 158077584 /nfs/dbraw/zinc/07/75/84/158077584.db2.gz BIABCJJHZOJVRV-ZDUSSCGKSA-N 0 0 310.398 0.309 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000079069335 158078031 /nfs/dbraw/zinc/07/80/31/158078031.db2.gz JZNRFDCNVLHQJQ-OLZOCXBDSA-N 0 0 324.425 0.696 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000081074134 158082244 /nfs/dbraw/zinc/08/22/44/158082244.db2.gz VJUQCVXSQWOHHF-JQWIXIFHSA-N 0 0 313.427 0.988 10 0 DCAERN CCCCN(C)S(=O)(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081073358 158082709 /nfs/dbraw/zinc/08/27/09/158082709.db2.gz NFFFOQNAPZZORH-NSHDSACASA-N 0 0 301.416 0.988 10 0 DCAERN COCCOc1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1 ZINC000086014244 158090640 /nfs/dbraw/zinc/09/06/40/158090640.db2.gz RMEJUJJRRACQKR-LLVKDONJSA-N 0 0 303.380 0.761 10 0 DCAERN O=C(C(=O)N1CCN([C@@H]2CCCC[C@@H]2O)CC1)N1CCCC1 ZINC000089886119 158100738 /nfs/dbraw/zinc/10/07/38/158100738.db2.gz IZCXCXMMXOSSPH-KGLIPLIRSA-N 0 0 309.410 0.057 10 0 DCAERN CNC(=O)NCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000090062966 158102227 /nfs/dbraw/zinc/10/22/27/158102227.db2.gz CCWQGDAEZBMNHK-VIFPVBQESA-N 0 0 312.320 0.589 10 0 DCAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784808 158109275 /nfs/dbraw/zinc/10/92/75/158109275.db2.gz ANLFJNURALCTKP-UFBFGSQYSA-N 0 0 314.288 0.445 10 0 DCAERN Cc1cccc(CSCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091784125 158109878 /nfs/dbraw/zinc/10/98/78/158109878.db2.gz OSSUMQGGPXITRD-CYBMUJFWSA-N 0 0 308.403 0.941 10 0 DCAERN COCCN1CCN(C(=O)CCc2ccccc2O)CC1=O ZINC000091984582 158111013 /nfs/dbraw/zinc/11/10/13/158111013.db2.gz QGTAVOZYPRJLMX-UHFFFAOYSA-N 0 0 306.362 0.642 10 0 DCAERN Cc1ccccc1Cc1nnc(CN2CCOC[C@H]2C(N)=O)o1 ZINC000092229391 158112248 /nfs/dbraw/zinc/11/22/48/158112248.db2.gz NURPPROECDQBGN-ZDUSSCGKSA-N 0 0 316.361 0.655 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000092642731 158114584 /nfs/dbraw/zinc/11/45/84/158114584.db2.gz FLCMUYKNENOOOA-JOYOIKCWSA-N 0 0 315.333 0.034 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(C)nn(C)c1OC ZINC000093417172 158120750 /nfs/dbraw/zinc/12/07/50/158120750.db2.gz KSFMJULMDHMHRG-SNVBAGLBSA-N 0 0 303.428 0.992 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094892861 158123542 /nfs/dbraw/zinc/12/35/42/158123542.db2.gz DGSMYHHUHFCDEV-KOLCDFICSA-N 0 0 313.379 0.483 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C2)c1 ZINC000105885739 158132362 /nfs/dbraw/zinc/13/23/62/158132362.db2.gz ZTJWAGAEZKBDQR-VXGBXAGGSA-N 0 0 314.411 0.293 10 0 DCAERN COC(=O)NCCC(=O)NCc1cccnc1-n1ccnc1 ZINC000107548432 158135635 /nfs/dbraw/zinc/13/56/35/158135635.db2.gz YWSCYCMIHIOJEL-UHFFFAOYSA-N 0 0 303.322 0.630 10 0 DCAERN CC[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896730 158138766 /nfs/dbraw/zinc/13/87/66/158138766.db2.gz USMYAAADAMERTK-KGLIPLIRSA-N 0 0 311.426 0.424 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112653801 158143282 /nfs/dbraw/zinc/14/32/82/158143282.db2.gz BOGHROPRQFYIGN-ZDUSSCGKSA-N 0 0 313.361 0.068 10 0 DCAERN NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NC1CCC1)CO2 ZINC000113650603 158149188 /nfs/dbraw/zinc/14/91/88/158149188.db2.gz DOQNYBTXRRKIEV-JTQLQIEISA-N 0 0 310.375 0.554 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)[C@@H]1CCCN1c1nccs1 ZINC000113902329 158150811 /nfs/dbraw/zinc/15/08/11/158150811.db2.gz YIYDUWSIEFAZIY-JTQLQIEISA-N 0 0 322.390 0.377 10 0 DCAERN CCOCCOCC(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000114412517 158152699 /nfs/dbraw/zinc/15/26/99/158152699.db2.gz HDUJLOXWEHIBOS-UHFFFAOYSA-N 0 0 322.365 0.309 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114437395 158153492 /nfs/dbraw/zinc/15/34/92/158153492.db2.gz TWCORUFIWIYZCJ-MRXNPFEDSA-N 0 0 303.362 0.886 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000114943521 158160546 /nfs/dbraw/zinc/16/05/46/158160546.db2.gz APGQWIQKEUQCFU-LLVKDONJSA-N 0 0 322.413 0.323 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCOC[C@H]1CC)CC2 ZINC000115830577 158162853 /nfs/dbraw/zinc/16/28/53/158162853.db2.gz WVTBEDVYWBDHRR-VXGBXAGGSA-N 0 0 307.398 0.976 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)NCCn2cc(C)cn2)C1=O ZINC000117809781 158173567 /nfs/dbraw/zinc/17/35/67/158173567.db2.gz SPNFKVVCHMLECD-UHFFFAOYSA-N 0 0 321.381 0.418 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)c3ccc(C=O)cc3)C2=O)cn1 ZINC000117831811 158174346 /nfs/dbraw/zinc/17/43/46/158174346.db2.gz NRFKVIIOGUUOFN-AWEZNQCLSA-N 0 0 312.329 0.768 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC=C(c2cccs2)CC1 ZINC000117989957 158174588 /nfs/dbraw/zinc/17/45/88/158174588.db2.gz VTVQWQRQNAFFSZ-UHFFFAOYSA-N 0 0 305.359 0.916 10 0 DCAERN CCS(=O)(=O)CCN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000118399020 158177759 /nfs/dbraw/zinc/17/77/59/158177759.db2.gz REXNNLFZEKWMSK-ZDUSSCGKSA-N 0 0 304.456 0.606 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)N1CCC[C@@H]1CO ZINC000118567456 158178221 /nfs/dbraw/zinc/17/82/21/158178221.db2.gz ZQZLOFVKZOVMDL-CYBMUJFWSA-N 0 0 305.382 0.612 10 0 DCAERN C[C@@H]1CN(C(=O)CSCC(F)(F)F)CCS1(=O)=O ZINC000119410290 158187645 /nfs/dbraw/zinc/18/76/45/158187645.db2.gz VEHLMZQRSBUBBP-SSDOTTSWSA-N 0 0 305.343 0.927 10 0 DCAERN C[C@H](O)CCN(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119877204 158190718 /nfs/dbraw/zinc/19/07/18/158190718.db2.gz JCGIKRHHKNIBHN-JTQLQIEISA-N 0 0 318.333 0.904 10 0 DCAERN CN1CCN(C(=O)CC2CCN(Cc3csnn3)CC2)CC1 ZINC000120004462 158192227 /nfs/dbraw/zinc/19/22/27/158192227.db2.gz NSFHWHIQEYAFDX-UHFFFAOYSA-N 0 0 323.466 0.914 10 0 DCAERN COCCn1ccc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)n1 ZINC000120395891 158197628 /nfs/dbraw/zinc/19/76/28/158197628.db2.gz DZLSPUTYPYNKIC-MNOVXSKESA-N 0 0 309.370 0.647 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCC(n3cncn3)CC2)C1 ZINC000120417141 158198351 /nfs/dbraw/zinc/19/83/51/158198351.db2.gz HYFPAPCWQHCBKE-NSHDSACASA-N 0 0 306.370 0.232 10 0 DCAERN CCN(CC(C)(C)O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000121022971 158206666 /nfs/dbraw/zinc/20/66/66/158206666.db2.gz UVGUBMSAOUYHSG-ZDUSSCGKSA-N 0 0 301.431 0.900 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)nn1 ZINC000121183908 158208019 /nfs/dbraw/zinc/20/80/19/158208019.db2.gz VBAOJVCNLHYSGZ-NSHDSACASA-N 0 0 321.362 0.039 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000121261451 158209040 /nfs/dbraw/zinc/20/90/40/158209040.db2.gz OWNTWMCBQKFGBC-ZDUSSCGKSA-N 0 0 307.325 0.891 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000121256737 158209137 /nfs/dbraw/zinc/20/91/37/158209137.db2.gz MAJZKLAUURYFCD-CYBMUJFWSA-N 0 0 307.325 0.891 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121708731 158214143 /nfs/dbraw/zinc/21/41/43/158214143.db2.gz ZKUIZIYXHBGZLF-OCCSQVGLSA-N 0 0 318.439 0.758 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000121899911 158216366 /nfs/dbraw/zinc/21/63/66/158216366.db2.gz QKKMDCOVEQBZAX-ZDUSSCGKSA-N 0 0 322.413 0.787 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)O1 ZINC000122057860 158217842 /nfs/dbraw/zinc/21/78/42/158217842.db2.gz YHISQTMFESVQRP-MFKMUULPSA-N 0 0 312.391 0.560 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cn1 ZINC000122597545 158221870 /nfs/dbraw/zinc/22/18/70/158221870.db2.gz IUXHEWFLETYSSB-NEPJUHHUSA-N 0 0 306.366 0.458 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122605320 158221885 /nfs/dbraw/zinc/22/18/85/158221885.db2.gz ZTAVCLVCLPIMAN-BJJPWKGXSA-N 0 0 311.426 0.454 10 0 DCAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCNC(=O)C1 ZINC000122734615 158224153 /nfs/dbraw/zinc/22/41/53/158224153.db2.gz SJDCEQUAZNTKRE-GXSJLCMTSA-N 0 0 319.336 0.992 10 0 DCAERN COC(=O)[C@H]1CN([C@@H](C)C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000123311548 158229554 /nfs/dbraw/zinc/22/95/54/158229554.db2.gz PVTUHDWWGSCJDB-VNHYZAJKSA-N 0 0 320.389 0.954 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)NC2CCC(C)CC2)C[C@@H](C)O1 ZINC000123513828 158230747 /nfs/dbraw/zinc/23/07/47/158230747.db2.gz FOTPPMQZJROMNB-FKZOYECMSA-N 0 0 312.410 0.944 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000123817716 158234182 /nfs/dbraw/zinc/23/41/82/158234182.db2.gz PAQJOXIWJUVMGG-OCCSQVGLSA-N 0 0 318.373 0.980 10 0 DCAERN CCC[C@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000123738120 158234410 /nfs/dbraw/zinc/23/44/10/158234410.db2.gz PIYQXOXXWPKDRU-JHJVBQTASA-N 0 0 308.444 0.729 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)n(C)n1 ZINC000124226385 158239488 /nfs/dbraw/zinc/23/94/88/158239488.db2.gz IKGQFOKKOWEEFC-LBPRGKRZSA-N 0 0 316.365 0.764 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3nc(C)c(C)[nH]c3=O)[C@H]2C1 ZINC000124349393 158240595 /nfs/dbraw/zinc/24/05/95/158240595.db2.gz NLCBFBZPHLFTJS-AGIUHOORSA-N 0 0 321.377 0.795 10 0 DCAERN Cc1ccn(-c2ccccc2NCC(=O)N2CCNC(=O)C2)n1 ZINC000124490545 158242243 /nfs/dbraw/zinc/24/22/43/158242243.db2.gz FRNAZOJWIFQAJI-UHFFFAOYSA-N 0 0 313.361 0.551 10 0 DCAERN Cc1ccccc1-c1nc(CN2CCO[C@H](C(N)=O)C2)no1 ZINC000124847120 158248068 /nfs/dbraw/zinc/24/80/68/158248068.db2.gz WGUGBFNOUCEAJV-LBPRGKRZSA-N 0 0 302.334 0.731 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125487775 158256495 /nfs/dbraw/zinc/25/64/95/158256495.db2.gz USGJJBMVQPQRQC-UHFFFAOYSA-N 0 0 305.338 0.010 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000127634141 158274066 /nfs/dbraw/zinc/27/40/66/158274066.db2.gz DRQRQSSGOYCOQY-NEPJUHHUSA-N 0 0 304.412 0.484 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000128303946 158279788 /nfs/dbraw/zinc/27/97/88/158279788.db2.gz AKYNVVQATMVUML-YRGRVCCFSA-N 0 0 318.377 0.790 10 0 DCAERN COC(=O)C1(NC(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC000128308461 158280212 /nfs/dbraw/zinc/28/02/12/158280212.db2.gz OQJVKHVBWSQUSS-UHFFFAOYSA-N 0 0 304.346 0.855 10 0 DCAERN O=C(CNC(=O)[C@@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000128846063 158283965 /nfs/dbraw/zinc/28/39/65/158283965.db2.gz GKDSYYUDHUFIPH-NSHDSACASA-N 0 0 324.406 0.087 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000130482628 158295808 /nfs/dbraw/zinc/29/58/08/158295808.db2.gz NMVSZAZRBFQRRH-LLVKDONJSA-N 0 0 320.393 0.502 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000130935599 158297159 /nfs/dbraw/zinc/29/71/59/158297159.db2.gz DUUGIXGDNMPPCP-QJPTWQEYSA-N 0 0 302.440 0.862 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1C ZINC000131848988 158305846 /nfs/dbraw/zinc/30/58/46/158305846.db2.gz MLQVWLSWEODIBI-KBPBESRZSA-N 0 0 321.425 0.725 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000132604463 158312767 /nfs/dbraw/zinc/31/27/67/158312767.db2.gz WHDWGZQGDHSULH-GHMZBOCLSA-N 0 0 306.366 0.380 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)CNC(=O)C(C)(C)C)CC2 ZINC000133667969 158320267 /nfs/dbraw/zinc/32/02/67/158320267.db2.gz DAYGQUGJJXGFIR-LLVKDONJSA-N 0 0 321.425 0.995 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133887312 158322842 /nfs/dbraw/zinc/32/28/42/158322842.db2.gz KSHNIRNKTVQNNQ-JTQLQIEISA-N 0 0 314.411 0.267 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)o1 ZINC000133976228 158322975 /nfs/dbraw/zinc/32/29/75/158322975.db2.gz GXEDADCQHKFZGI-CYBMUJFWSA-N 0 0 303.318 0.895 10 0 DCAERN CCC[C@H](NC(N)=O)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135723738 158340133 /nfs/dbraw/zinc/34/01/33/158340133.db2.gz YPPHWTTVFPOSNK-STQMWFEESA-N 0 0 306.366 0.898 10 0 DCAERN C[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000136049762 158340861 /nfs/dbraw/zinc/34/08/61/158340861.db2.gz FHKDSGHTMJGDDZ-DZGCQCFKSA-N 0 0 304.390 0.965 10 0 DCAERN O=C(NCC1CC1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000136961598 158343657 /nfs/dbraw/zinc/34/36/57/158343657.db2.gz MPPNEVVMKLHGTD-GFCCVEGCSA-N 0 0 301.412 0.606 10 0 DCAERN CN1CCN(C(=O)NC2CCN(c3ccccn3)CC2)CC1=O ZINC000153645903 158349698 /nfs/dbraw/zinc/34/96/98/158349698.db2.gz XCRXMOMTIWTKAA-UHFFFAOYSA-N 0 0 317.393 0.534 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CN(C)CCO1 ZINC000155288774 158351039 /nfs/dbraw/zinc/35/10/39/158351039.db2.gz TXYZZVCVHKTTSE-NWDGAFQWSA-N 0 0 322.413 0.305 10 0 DCAERN Cn1c2cc(C(=O)N3CCN(C4CC4)CC3)ccc2[nH]c1=O ZINC000162013188 158358497 /nfs/dbraw/zinc/35/84/97/158358497.db2.gz MKACCQNBCALPEQ-UHFFFAOYSA-N 0 0 300.362 0.787 10 0 DCAERN Cc1cccc([C@@H]2CCCN2C(=O)CN2CC(=O)NC2=O)n1 ZINC000167259200 158368338 /nfs/dbraw/zinc/36/83/38/158368338.db2.gz LJKBSWKIPUMHIN-LBPRGKRZSA-N 0 0 302.334 0.605 10 0 DCAERN CC[C@@](C)(OC)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000170229391 158373432 /nfs/dbraw/zinc/37/34/32/158373432.db2.gz BMAKFAQTKKEPMS-CYBMUJFWSA-N 0 0 300.380 0.765 10 0 DCAERN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000170241075 158373793 /nfs/dbraw/zinc/37/37/93/158373793.db2.gz BOZQBWDLFOJZGV-SNVBAGLBSA-N 0 0 321.381 0.647 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000170756607 158375711 /nfs/dbraw/zinc/37/57/11/158375711.db2.gz FZKPHSCUGLSWIW-QWHCGFSZSA-N 0 0 303.362 0.976 10 0 DCAERN CSCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000170999874 158379936 /nfs/dbraw/zinc/37/99/36/158379936.db2.gz JGVJEIFJLUWXIW-UHFFFAOYSA-N 0 0 313.467 0.752 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000171371209 158381918 /nfs/dbraw/zinc/38/19/18/158381918.db2.gz XDYPXJBNCVIZBF-VXGBXAGGSA-N 0 0 300.318 0.693 10 0 DCAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N1CCNC(=O)CC1 ZINC000171590883 158384823 /nfs/dbraw/zinc/38/48/23/158384823.db2.gz ODDMVHOTSKBRKS-GFCCVEGCSA-N 0 0 316.361 0.644 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCOC1 ZINC000171681957 158385602 /nfs/dbraw/zinc/38/56/02/158385602.db2.gz GYDDMBSMLXJHNK-CHWSQXEVSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1nccs1)n1cncn1 ZINC000171919428 158388184 /nfs/dbraw/zinc/38/81/84/158388184.db2.gz OVBYIMUPQBLZRE-UWVGGRQHSA-N 0 0 320.378 0.925 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000172008776 158389609 /nfs/dbraw/zinc/38/96/09/158389609.db2.gz BMIQSLAXZKJUOD-WDEREUQCSA-N 0 0 304.412 0.183 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)C1=O ZINC000172234984 158391830 /nfs/dbraw/zinc/39/18/30/158391830.db2.gz MLTBQERBVAOKFV-ZNMIVQPWSA-N 0 0 317.389 0.953 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)CC2 ZINC000172262962 158392703 /nfs/dbraw/zinc/39/27/03/158392703.db2.gz VIMYTKZECVVZCY-LLVKDONJSA-N 0 0 316.365 0.676 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)Cc1ccccc1 ZINC000172403943 158394076 /nfs/dbraw/zinc/39/40/76/158394076.db2.gz PSOQXHCIFZXOLU-CQSZACIVSA-N 0 0 313.357 0.531 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000172349228 158394179 /nfs/dbraw/zinc/39/41/79/158394179.db2.gz DATYBYHIDIGGON-LBPRGKRZSA-N 0 0 307.398 0.499 10 0 DCAERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)N[C@@H]1CCc2ncnn2C1 ZINC000172605139 158396961 /nfs/dbraw/zinc/39/69/61/158396961.db2.gz WSACTSNPWHDPQR-ZLDLUXBVSA-N 0 0 313.361 0.550 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@@H](N4CCOCC4)C3)c2n1 ZINC000172759373 158399770 /nfs/dbraw/zinc/39/97/70/158399770.db2.gz BKIDQGAJCARTGS-CYBMUJFWSA-N 0 0 315.377 0.584 10 0 DCAERN Cn1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(=O)n(C)c1=O ZINC000173087304 158403124 /nfs/dbraw/zinc/40/31/24/158403124.db2.gz LBCQQLTXAJZVRW-ZACCUICWSA-N 0 0 319.361 0.418 10 0 DCAERN CCOCCS(=O)(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000173421254 158405346 /nfs/dbraw/zinc/40/53/46/158405346.db2.gz CRAQHXMTZWDMNT-LBPRGKRZSA-N 0 0 316.427 0.345 10 0 DCAERN Cc1nc(CNC(=O)Nc2cc(-n3cnnn3)ccc2F)no1 ZINC000176046917 158433526 /nfs/dbraw/zinc/43/35/26/158433526.db2.gz KXFXATKVOPKMNR-UHFFFAOYSA-N 0 0 318.272 0.815 10 0 DCAERN O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)C[C@H](O)CO ZINC000177671184 158449645 /nfs/dbraw/zinc/44/96/45/158449645.db2.gz QBEBQUQDWDZWIG-GFCCVEGCSA-N 0 0 315.322 0.749 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(C)C ZINC000178727740 158463383 /nfs/dbraw/zinc/46/33/83/158463383.db2.gz NVYFMLWBFYRAKR-ZDUSSCGKSA-N 0 0 304.350 0.216 10 0 DCAERN Cn1cnn(CC(=O)N2CC=C(c3cccs3)CC2)c1=O ZINC000179506459 158473513 /nfs/dbraw/zinc/47/35/13/158473513.db2.gz QYWUCARFMYQUEC-UHFFFAOYSA-N 0 0 304.375 0.959 10 0 DCAERN Cn1cnn(CC(=O)NCc2cnn(-c3ccccc3)c2)c1=O ZINC000180139002 158476767 /nfs/dbraw/zinc/47/67/67/158476767.db2.gz DBJYBWQEXAYMRF-UHFFFAOYSA-N 0 0 312.333 0.084 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000180260725 158477814 /nfs/dbraw/zinc/47/78/14/158477814.db2.gz AQZUMKAKXNYQTO-VXGBXAGGSA-N 0 0 314.288 0.512 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(c2cc(=O)n3ccccc3n2)C1 ZINC000181283954 158483603 /nfs/dbraw/zinc/48/36/03/158483603.db2.gz YKJSGYUWKAFMGE-NSHDSACASA-N 0 0 322.390 0.213 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000182034113 158489789 /nfs/dbraw/zinc/48/97/89/158489789.db2.gz FJAMIEWVYYCMJA-AWEZNQCLSA-N 0 0 319.409 0.892 10 0 DCAERN CN1CC[C@H](C(=O)N2CCN(c3cccs3)C(=O)C2)CC1=O ZINC000184065021 158504518 /nfs/dbraw/zinc/50/45/18/158504518.db2.gz PXRJYAOWTSPHBZ-NSHDSACASA-N 0 0 321.402 0.792 10 0 DCAERN CC(C)Oc1nccnc1N1CCc2nn(C)c(=O)cc2C1 ZINC000184126885 158505461 /nfs/dbraw/zinc/50/54/61/158505461.db2.gz HTCRYVDROZXRTP-UHFFFAOYSA-N 0 0 301.350 0.920 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184371843 158507882 /nfs/dbraw/zinc/50/78/82/158507882.db2.gz XTXLXIGKVAJGEQ-UHFFFAOYSA-N 0 0 324.406 0.633 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](O)C[C@@H]2CO)c1C ZINC000184741738 158511246 /nfs/dbraw/zinc/51/12/46/158511246.db2.gz ZUOJZNDMXOGQBJ-CYZMBNFOSA-N 0 0 308.378 0.833 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000185382955 158519154 /nfs/dbraw/zinc/51/91/54/158519154.db2.gz CNOMPFLEXYMORH-CYBMUJFWSA-N 0 0 316.427 0.747 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000185677264 158523460 /nfs/dbraw/zinc/52/34/60/158523460.db2.gz ZCZFKGDCQRELTK-NEPJUHHUSA-N 0 0 306.428 0.612 10 0 DCAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)N(C)C(C)C)n1 ZINC000186345042 158529320 /nfs/dbraw/zinc/52/93/20/158529320.db2.gz YAUHSADVKGKBBE-JTQLQIEISA-N 0 0 304.372 0.336 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1csc(S(C)(=O)=O)c1 ZINC000188882760 158548141 /nfs/dbraw/zinc/54/81/41/158548141.db2.gz QOJZNUIIXDZBTB-QMMMGPOBSA-N 0 0 316.404 0.502 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188909263 158548865 /nfs/dbraw/zinc/54/88/65/158548865.db2.gz MFFPHHBTAQAHBL-UHFFFAOYSA-N 0 0 324.425 0.459 10 0 DCAERN Cc1nnsc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000190538838 158560709 /nfs/dbraw/zinc/56/07/09/158560709.db2.gz HGFVTMWVDWPFFG-JTQLQIEISA-N 0 0 306.395 0.979 10 0 DCAERN CC(C)COC1CCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)CC1 ZINC000192018264 158573291 /nfs/dbraw/zinc/57/32/91/158573291.db2.gz VSPCQLAZYIITJN-GFCCVEGCSA-N 0 0 320.455 0.930 10 0 DCAERN COc1cccc(CNC(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000194615632 158599123 /nfs/dbraw/zinc/59/91/23/158599123.db2.gz JQYDARAQNGZKKK-UHFFFAOYSA-N 0 0 310.317 0.996 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Cn3ccc(C)cc3=O)CCO2)[nH]1 ZINC000194771020 158600781 /nfs/dbraw/zinc/60/07/81/158600781.db2.gz NEVDYPBDHQINLR-LBPRGKRZSA-N 0 0 317.349 0.183 10 0 DCAERN COC(=O)c1cncc(NC(=O)Cn2ccc(C)cc2=O)c1 ZINC000194873658 158601549 /nfs/dbraw/zinc/60/15/49/158601549.db2.gz LFYXJDWEFLVRIB-UHFFFAOYSA-N 0 0 301.302 0.977 10 0 DCAERN COCCN1C[C@@H](C(=O)N[C@@H]2COc3ccccc32)CC1=O ZINC000194876039 158601823 /nfs/dbraw/zinc/60/18/23/158601823.db2.gz KUJZCADGXQGXCT-WCQYABFASA-N 0 0 304.346 0.731 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(O)cc1)C(=O)NC(C)(C)C ZINC000227962416 158619560 /nfs/dbraw/zinc/61/95/60/158619560.db2.gz CJZLNHLRKIAGMH-SECBINFHSA-N 0 0 300.380 0.974 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCSCCCO)C[C@@H](C)O1 ZINC000228554861 158620923 /nfs/dbraw/zinc/62/09/23/158620923.db2.gz PWZHYYLAXUEDKS-GHMZBOCLSA-N 0 0 312.457 0.046 10 0 DCAERN COC(C)(C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000231360981 158626391 /nfs/dbraw/zinc/62/63/91/158626391.db2.gz FJYDQKBUQWNSCE-SECBINFHSA-N 0 0 300.380 0.936 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000249157445 158702844 /nfs/dbraw/zinc/70/28/44/158702844.db2.gz IPDAAEHONHAMMQ-BFHYXJOUSA-N 0 0 303.362 0.881 10 0 DCAERN NCc1nc(CN2CCC[C@@H]2C(=O)Nc2nccs2)no1 ZINC000262293554 158793958 /nfs/dbraw/zinc/79/39/58/158793958.db2.gz WIUWHIDPFAXUHY-MRVPVSSYSA-N 0 0 308.367 0.588 10 0 DCAERN COCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCO[C@H]1C ZINC000329814055 292399740 /nfs/dbraw/zinc/39/97/40/292399740.db2.gz NOFZHCMHPXMMIR-BTFPBAQTSA-N 0 0 313.394 0.690 10 0 DCAERN COCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCO[C@H]1C ZINC000329814058 292399782 /nfs/dbraw/zinc/39/97/82/292399782.db2.gz NOFZHCMHPXMMIR-YYFQZIEXSA-N 0 0 313.394 0.690 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)c1 ZINC000266767821 158893502 /nfs/dbraw/zinc/89/35/02/158893502.db2.gz RZPQHWLUNSAWCL-CQSZACIVSA-N 0 0 319.361 0.591 10 0 DCAERN CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H]3CSCCN3C2=O)C1 ZINC000559374880 288473063 /nfs/dbraw/zinc/47/30/63/288473063.db2.gz NOJMJQKYEPKALM-ZJUUUORDSA-N 0 0 312.395 0.170 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000270611085 158912987 /nfs/dbraw/zinc/91/29/87/158912987.db2.gz CWIKPOFYOZZPLH-WCQGTBRESA-N 0 0 307.354 0.002 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000276447159 158935206 /nfs/dbraw/zinc/93/52/06/158935206.db2.gz GGQAGSXYHFCULS-CYBMUJFWSA-N 0 0 300.717 0.470 10 0 DCAERN C[C@@H](CC(=O)N1CCN(C2CC2)C(=O)C1)N1CCCCC1=O ZINC000328648166 159016625 /nfs/dbraw/zinc/01/66/25/159016625.db2.gz HZFZNFNNOGSFSW-LBPRGKRZSA-N 0 0 307.394 0.611 10 0 DCAERN COCCN1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1=O ZINC000328711537 159023071 /nfs/dbraw/zinc/02/30/71/159023071.db2.gz BDMDHSDWPCRPLV-DZGCQCFKSA-N 0 0 319.361 0.434 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)CC3CCOCC3)C[C@H]21 ZINC000328877312 159036737 /nfs/dbraw/zinc/03/67/37/159036737.db2.gz KNFKPVOQQSWUKV-KGLIPLIRSA-N 0 0 318.439 0.148 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn4ccnc4s3)C[C@@H]21 ZINC000328892909 159039313 /nfs/dbraw/zinc/03/93/13/159039313.db2.gz UFBGVAVOFMCTHD-WDEREUQCSA-N 0 0 306.391 0.941 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000328916649 159041037 /nfs/dbraw/zinc/04/10/37/159041037.db2.gz AOCMVQZAEWFXPB-XQQFMLRXSA-N 0 0 302.440 0.752 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)nn1 ZINC000328930679 159042520 /nfs/dbraw/zinc/04/25/20/159042520.db2.gz ZEBMYPFPDADWEZ-LSDHHAIUSA-N 0 0 321.425 0.869 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCC[C@H](n2cccn2)C1 ZINC000328926110 159042950 /nfs/dbraw/zinc/04/29/50/159042950.db2.gz FCXFKQDSWCBLFM-NEPJUHHUSA-N 0 0 300.366 0.970 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000328943797 159044974 /nfs/dbraw/zinc/04/49/74/159044974.db2.gz ANJFNKALHBDJLU-KGLIPLIRSA-N 0 0 320.393 0.937 10 0 DCAERN O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329010525 159051687 /nfs/dbraw/zinc/05/16/87/159051687.db2.gz DMASUCPNGIXRKH-CHWSQXEVSA-N 0 0 320.393 0.720 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000329016522 159053060 /nfs/dbraw/zinc/05/30/60/159053060.db2.gz KHGKCXBDUMTNGQ-WOPDTQHZSA-N 0 0 309.366 0.201 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329159140 159068179 /nfs/dbraw/zinc/06/81/79/159068179.db2.gz DDGMKOGITFVRFR-QWRGUYRKSA-N 0 0 321.410 0.578 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cncc(N3CCOCC3)c2)C[C@@H]1O ZINC000329168298 159069550 /nfs/dbraw/zinc/06/95/50/159069550.db2.gz IYRXHVNTNWOMLM-DOMZBBRYSA-N 0 0 305.378 0.761 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc3c2ncn3C)CCS1(=O)=O ZINC000329268576 159077677 /nfs/dbraw/zinc/07/76/77/159077677.db2.gz GPSVNZRTRNXXME-VIFPVBQESA-N 0 0 308.363 0.227 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@]2(CCOC2)O1 ZINC000329352440 159084928 /nfs/dbraw/zinc/08/49/28/159084928.db2.gz UOBKPFOIGUXKKQ-IAQYHMDHSA-N 0 0 302.334 0.749 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC000329377968 159087031 /nfs/dbraw/zinc/08/70/31/159087031.db2.gz MFXNXZPGELJUNM-CHWSQXEVSA-N 0 0 304.394 0.822 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC(=O)[C@@H](C)C3)nc2n1 ZINC000329378815 159087122 /nfs/dbraw/zinc/08/71/22/159087122.db2.gz MQZQNHLAFQPWNO-VIFPVBQESA-N 0 0 301.350 0.721 10 0 DCAERN Cc1nn(C)c(N2CCOCC2)c1CN1CC(n2ccnn2)C1 ZINC000329410700 159089396 /nfs/dbraw/zinc/08/93/96/159089396.db2.gz AKNGEYKITRWLCK-UHFFFAOYSA-N 0 0 317.397 0.214 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1CCc2cncnc2C1 ZINC000329433487 159092061 /nfs/dbraw/zinc/09/20/61/159092061.db2.gz KVWMOIIGULNIJP-UHFFFAOYSA-N 0 0 317.378 0.475 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)N1CCc2cncnc2C1 ZINC000329462252 159094358 /nfs/dbraw/zinc/09/43/58/159094358.db2.gz TVZCPZMWOLBVRC-UHFFFAOYSA-N 0 0 324.344 0.261 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCS[C@@H](C)C2)nn1 ZINC000329503486 159098112 /nfs/dbraw/zinc/09/81/12/159098112.db2.gz GUQTUDXMJAZHFQ-MVWJERBFSA-N 0 0 312.395 0.442 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1CCc1nnnn1-c1ccccc1 ZINC000329536846 159101082 /nfs/dbraw/zinc/10/10/82/159101082.db2.gz UPSXCLUXGFKHLP-LBPRGKRZSA-N 0 0 321.406 0.324 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000329563324 159102865 /nfs/dbraw/zinc/10/28/65/159102865.db2.gz GUGDRMMWBKQIIX-MGPQQGTHSA-N 0 0 308.378 0.594 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(-c3ccccn3)no2)CCS1(=O)=O ZINC000329619136 159107098 /nfs/dbraw/zinc/10/70/98/159107098.db2.gz MDLVBBKEVVPXEZ-JTQLQIEISA-N 0 0 321.358 0.996 10 0 DCAERN CN(C)Cc1cnc(CN[C@H]2COC[C@H]2n2ccnn2)s1 ZINC000329698062 159112739 /nfs/dbraw/zinc/11/27/39/159112739.db2.gz YSNFSVSGHUKXOZ-NWDGAFQWSA-N 0 0 308.411 0.526 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000329872890 159125265 /nfs/dbraw/zinc/12/52/65/159125265.db2.gz DKFXVBPLNUBJSN-HZMBPMFUSA-N 0 0 311.407 0.877 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000330012664 159135618 /nfs/dbraw/zinc/13/56/18/159135618.db2.gz KXVAOYODORTXHG-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C)O1 ZINC000330107508 159142564 /nfs/dbraw/zinc/14/25/64/159142564.db2.gz MFRSDTZEAXUDFL-OPDFLTKYSA-N 0 0 318.439 0.840 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Cn2ccccc2=O)C1 ZINC000330157725 159146339 /nfs/dbraw/zinc/14/63/39/159146339.db2.gz PPEHVZDLZWVMRW-NWDGAFQWSA-N 0 0 318.333 0.528 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCC[C@H]2[C@H](C)O)nn1 ZINC000330177293 159148194 /nfs/dbraw/zinc/14/81/94/159148194.db2.gz KQIRZDIHGSFTRK-SCUASFONSA-N 0 0 324.381 0.240 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000330203672 159149492 /nfs/dbraw/zinc/14/94/92/159149492.db2.gz CCXAREWNUNWPLS-UMVBOHGHSA-N 0 0 323.393 0.498 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@@H]2CCCN2C2CC2)n1 ZINC000330218280 159151261 /nfs/dbraw/zinc/15/12/61/159151261.db2.gz JEWAJOVBPAQQBJ-RWMBFGLXSA-N 0 0 306.366 0.639 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CCC2CCOCC2)C1 ZINC000330301370 159158532 /nfs/dbraw/zinc/15/85/32/159158532.db2.gz NTNGYRYTLQVAHV-QWHCGFSZSA-N 0 0 307.412 0.215 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@]3(C)CCCNC3=O)CC2)cn1 ZINC000330325947 159159586 /nfs/dbraw/zinc/15/95/86/159159586.db2.gz UXYAIKFAXJWFCC-OAHLLOKOSA-N 0 0 305.382 0.825 10 0 DCAERN Cn1ccc([C@H]2NC(=O)N([C@H]3CC(=O)N(C(C)(C)C)C3)C2=O)n1 ZINC000330350147 159162196 /nfs/dbraw/zinc/16/21/96/159162196.db2.gz KSQPSIMXVZJNLU-JOYOIKCWSA-N 0 0 319.365 0.617 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)nc1 ZINC000330431132 159172540 /nfs/dbraw/zinc/17/25/40/159172540.db2.gz NEUFLDSKHLBVCB-LBPRGKRZSA-N 0 0 308.407 0.685 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000330547478 159191033 /nfs/dbraw/zinc/19/10/33/159191033.db2.gz ZVCLUBCYPQIVAS-PWSUYJOCSA-N 0 0 309.366 0.535 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C ZINC000330627743 159204743 /nfs/dbraw/zinc/20/47/43/159204743.db2.gz KNVZCPGUXRRHRG-TUAOUCFPSA-N 0 0 318.439 0.182 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000332732173 159210702 /nfs/dbraw/zinc/21/07/02/159210702.db2.gz WKXDPTUTURGFEL-KFWWJZLASA-N 0 0 324.421 0.681 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)C[C@@H]2CCCCNC2=O)CC1=O ZINC000332829821 159214405 /nfs/dbraw/zinc/21/44/05/159214405.db2.gz CYRKKHDPDYPSGP-RYUDHWBXSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@H](C3CC3)C2)O1 ZINC000332816119 159214563 /nfs/dbraw/zinc/21/45/63/159214563.db2.gz DWWDBPQSBHSMGX-FQUUOJAGSA-N 0 0 310.394 0.696 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCCc2cn[nH]c2)no1 ZINC000360295092 159265921 /nfs/dbraw/zinc/26/59/21/159265921.db2.gz AFZWUYAPKPIEKM-UHFFFAOYSA-N 0 0 321.337 0.961 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000365014407 159276983 /nfs/dbraw/zinc/27/69/83/159276983.db2.gz HKBJOHPXNVRREO-WCQYABFASA-N 0 0 319.361 0.600 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000366945578 159299783 /nfs/dbraw/zinc/29/97/83/159299783.db2.gz LYPDZRBGNLFDTI-GFCCVEGCSA-N 0 0 316.365 0.846 10 0 DCAERN CO[C@H](C(=O)N1CCC(c2nnc(C)[nH]2)CC1)c1cnn(C)c1 ZINC000366961061 159300420 /nfs/dbraw/zinc/30/04/20/159300420.db2.gz UMUXIWCLZUMNNL-ZDUSSCGKSA-N 0 0 318.381 0.940 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000367162336 159318585 /nfs/dbraw/zinc/31/85/85/159318585.db2.gz ABNNKODTJJVIHD-CMPLNLGQSA-N 0 0 324.343 0.869 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@](F)(CO)C2)c1 ZINC000367863765 159360810 /nfs/dbraw/zinc/36/08/10/159360810.db2.gz OCZPVKBHPZFERZ-CWDCEQMOSA-N 0 0 321.352 0.777 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H]1CO ZINC000368186486 159380359 /nfs/dbraw/zinc/38/03/59/159380359.db2.gz SGKHEZMSJVLORW-YVECIDJPSA-N 0 0 318.439 0.612 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000368353952 159388806 /nfs/dbraw/zinc/38/88/06/159388806.db2.gz FKYSDVFMYJOXLV-UMSGYPCISA-N 0 0 318.439 0.802 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CC(n2ccnn2)C1 ZINC000368601900 159405362 /nfs/dbraw/zinc/40/53/62/159405362.db2.gz HIXQUOWTCYOYDJ-LLVKDONJSA-N 0 0 315.333 0.303 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccc(F)cn3)CC2)CCC(=O)NC1 ZINC000369855004 159481954 /nfs/dbraw/zinc/48/19/54/159481954.db2.gz BSZMLJHXQOSIOS-INIZCTEOSA-N 0 0 320.368 0.786 10 0 DCAERN NC(=O)C1(NC(=O)Cn2ncc3ccccc32)CCOCC1 ZINC000371222552 159553390 /nfs/dbraw/zinc/55/33/90/159553390.db2.gz GXTPEVFNSKHFTI-UHFFFAOYSA-N 0 0 302.334 0.187 10 0 DCAERN Cc1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1C(N)=O ZINC000371875801 159591743 /nfs/dbraw/zinc/59/17/43/159591743.db2.gz GJJZQQBMZGOLLW-ZDUSSCGKSA-N 0 0 318.377 0.642 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000374958476 159762156 /nfs/dbraw/zinc/76/21/56/159762156.db2.gz AAMRNWUVFKCNLH-AWEZNQCLSA-N 0 0 300.362 0.579 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CCCNC(=O)[C@H]2C)NC1=O ZINC000375515614 159798582 /nfs/dbraw/zinc/79/85/82/159798582.db2.gz TWQSESOVSYGVQN-NXEZZACHSA-N 0 0 317.345 0.757 10 0 DCAERN COCCn1cc(NC(=O)C(=O)N2CCOCC[C@H]2C)cn1 ZINC000375523895 159798615 /nfs/dbraw/zinc/79/86/15/159798615.db2.gz FBTUHCNXGPVCIV-LLVKDONJSA-N 0 0 310.354 0.105 10 0 DCAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCC[C@](F)(CO)C2)C1 ZINC000376313725 159850449 /nfs/dbraw/zinc/85/04/49/159850449.db2.gz JBYOZZHXHQKLNS-XJKSGUPXSA-N 0 0 312.385 0.958 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000378119035 159962810 /nfs/dbraw/zinc/96/28/10/159962810.db2.gz IOLYRNAOZATUIH-AWEZNQCLSA-N 0 0 316.423 0.281 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCN(C(C)=O)C2)C[C@H]1C ZINC000407958169 159997298 /nfs/dbraw/zinc/99/72/98/159997298.db2.gz OHNVGODHPWZNLP-IXPVHAAZSA-N 0 0 311.382 0.448 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC(=O)N1C ZINC000407968831 159999217 /nfs/dbraw/zinc/99/92/17/159999217.db2.gz HERISKZLKCWYAG-JTNHKYCSSA-N 0 0 306.366 0.187 10 0 DCAERN CNC(=O)C1CCC(NC(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000407973864 160000260 /nfs/dbraw/zinc/00/02/60/160000260.db2.gz REMQVTOCEYQLNL-UHFFFAOYSA-N 0 0 322.409 0.307 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)[nH]1 ZINC000407981592 160002712 /nfs/dbraw/zinc/00/27/12/160002712.db2.gz UXMMNFOCCJJFNH-WPRPVWTQSA-N 0 0 300.384 0.600 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)NCCC(=O)N1CCCCC1 ZINC000407984269 160002874 /nfs/dbraw/zinc/00/28/74/160002874.db2.gz IJZQAPGDGSBETG-LBPRGKRZSA-N 0 0 324.425 0.745 10 0 DCAERN CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000407985204 160003661 /nfs/dbraw/zinc/00/36/61/160003661.db2.gz MOSZGRWQRUZTRR-KOLCDFICSA-N 0 0 308.382 0.106 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@@H](SC)C2)C1 ZINC000407987742 160003946 /nfs/dbraw/zinc/00/39/46/160003946.db2.gz RDRUWZGKFLYCOR-MWLCHTKSSA-N 0 0 300.428 0.983 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000407990686 160004630 /nfs/dbraw/zinc/00/46/30/160004630.db2.gz QDMRMIDEFXBNFJ-GXTWGEPZSA-N 0 0 323.437 0.912 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000407990690 160004900 /nfs/dbraw/zinc/00/49/00/160004900.db2.gz QDMRMIDEFXBNFJ-TZMCWYRMSA-N 0 0 323.437 0.912 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000407994358 160005892 /nfs/dbraw/zinc/00/58/92/160005892.db2.gz CFYIZFRDCBNOJF-IJLUTSLNSA-N 0 0 300.424 0.917 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C(=O)c3cnn(C)c3)[C@H]2C1 ZINC000408000235 160006797 /nfs/dbraw/zinc/00/67/97/160006797.db2.gz YRLUGTGZQODIIM-FRRDWIJNSA-N 0 0 307.350 0.398 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC([C@H](C)O)CC2)co1 ZINC000407998953 160007331 /nfs/dbraw/zinc/00/73/31/160007331.db2.gz UADOXIPHLIHOOD-VIFPVBQESA-N 0 0 316.379 0.421 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000408001436 160007753 /nfs/dbraw/zinc/00/77/53/160007753.db2.gz PYWXSBMWIUQRJW-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408001348 160007790 /nfs/dbraw/zinc/00/77/90/160007790.db2.gz DWXUUFIYXABEMB-BFHYXJOUSA-N 0 0 312.410 0.491 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)CC2 ZINC000408011434 160010190 /nfs/dbraw/zinc/01/01/90/160010190.db2.gz QXCXUXTYSLKSPY-TUAOUCFPSA-N 0 0 308.378 0.703 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408016665 160011919 /nfs/dbraw/zinc/01/19/19/160011919.db2.gz MGFXTPMQSKKTGR-STQMWFEESA-N 0 0 312.414 0.016 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000408022063 160014113 /nfs/dbraw/zinc/01/41/13/160014113.db2.gz UVBUFJXWIFLWQD-GFCCVEGCSA-N 0 0 305.382 0.632 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408024418 160014631 /nfs/dbraw/zinc/01/46/31/160014631.db2.gz AOJJIURSQSCJIH-GFCCVEGCSA-N 0 0 319.427 0.231 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)CC(C)(C)O1 ZINC000408026865 160015178 /nfs/dbraw/zinc/01/51/78/160015178.db2.gz JJJYQACDJWOUCG-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@@H]3COCCN3C)CCO2)cn1 ZINC000408029616 160015657 /nfs/dbraw/zinc/01/56/57/160015657.db2.gz IDEFUSUZSNUQKV-UONOGXRCSA-N 0 0 308.382 0.134 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000408029700 160015842 /nfs/dbraw/zinc/01/58/42/160015842.db2.gz XZVPIWQPOJFQTE-YNEHKIRRSA-N 0 0 307.412 0.621 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1 ZINC000408031352 160016401 /nfs/dbraw/zinc/01/64/01/160016401.db2.gz SWHMPUVCCCESFX-MGPQQGTHSA-N 0 0 309.410 0.176 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000408034190 160017301 /nfs/dbraw/zinc/01/73/01/160017301.db2.gz CNUTYRYZPYFYQI-ZWNOBZJWSA-N 0 0 306.366 0.187 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000408034774 160017729 /nfs/dbraw/zinc/01/77/29/160017729.db2.gz HJVQYJQMEWGLTE-BYNSBNAKSA-N 0 0 312.410 0.238 10 0 DCAERN Cc1noc([C@@H]2CN([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033902 160018012 /nfs/dbraw/zinc/01/80/12/160018012.db2.gz BRYFNSFKYZJFCU-JQWIXIFHSA-N 0 0 309.414 0.970 10 0 DCAERN COC(=O)C1CCC(C(=O)N[C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000408040042 160019299 /nfs/dbraw/zinc/01/92/99/160019299.db2.gz BXACOSAFSBPEBZ-QIMFLAQGSA-N 0 0 317.407 0.659 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 ZINC000408045489 160021883 /nfs/dbraw/zinc/02/18/83/160021883.db2.gz FZXCBUMDECOAQU-CJNGLKHVSA-N 0 0 320.393 0.287 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000408050067 160023354 /nfs/dbraw/zinc/02/33/54/160023354.db2.gz HDZXZCLDVFFFMT-NSHDSACASA-N 0 0 322.434 0.971 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCOCC2)O1 ZINC000408055265 160025203 /nfs/dbraw/zinc/02/52/03/160025203.db2.gz RYDCYYODVBEQKX-NSHDSACASA-N 0 0 319.423 0.654 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c1 ZINC000408058186 160025962 /nfs/dbraw/zinc/02/59/62/160025962.db2.gz HHMLRVDMUJRGLW-ZDUSSCGKSA-N 0 0 315.377 0.958 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408067109 160027492 /nfs/dbraw/zinc/02/74/92/160027492.db2.gz AVLFMNYUGHUJLP-UHFFFAOYSA-N 0 0 300.384 0.051 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408080148 160031401 /nfs/dbraw/zinc/03/14/01/160031401.db2.gz LWHMCHLSRFMWJU-XDQVBPFNSA-N 0 0 322.405 0.924 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCO3)C[C@H]1O ZINC000408086938 160032408 /nfs/dbraw/zinc/03/24/08/160032408.db2.gz AMHDZNQLMSZIFN-WDEREUQCSA-N 0 0 313.375 0.849 10 0 DCAERN C[C@H](NC(=O)CN1CC[C@@H](C)[C@H](O)C1)C(=O)N1CCCCC1 ZINC000408089288 160033370 /nfs/dbraw/zinc/03/33/70/160033370.db2.gz JEKUTTZLVSMUMJ-HZSPNIEDSA-N 0 0 311.426 0.206 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@H]1O ZINC000408091638 160033992 /nfs/dbraw/zinc/03/39/92/160033992.db2.gz VTLPCNHEYZHWOR-QMTHXVAHSA-N 0 0 322.386 0.920 10 0 DCAERN C[C@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@@H]1O ZINC000408093515 160034228 /nfs/dbraw/zinc/03/42/28/160034228.db2.gz CCUBDPVLRBRHBH-GWCFXTLKSA-N 0 0 301.346 0.776 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408093569 160034255 /nfs/dbraw/zinc/03/42/55/160034255.db2.gz OUSHKJIIQLGFRS-UTUOFQBUSA-N 0 0 300.424 0.917 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000408097103 160035229 /nfs/dbraw/zinc/03/52/29/160035229.db2.gz ILMPXEYDQAFYFI-IJLUTSLNSA-N 0 0 316.423 0.184 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCN2CCCCC2=O)C1 ZINC000408099809 160035627 /nfs/dbraw/zinc/03/56/27/160035627.db2.gz PUEFMHNSRVGXFO-ZDUSSCGKSA-N 0 0 317.455 0.955 10 0 DCAERN C[C@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000408100065 160035801 /nfs/dbraw/zinc/03/58/01/160035801.db2.gz PHDGKSHXSXSBKQ-MWLCHTKSSA-N 0 0 315.395 0.183 10 0 DCAERN CC1(C)C[C@@H](NC(=O)c2ccnc(S(C)(=O)=O)n2)CCO1 ZINC000408108470 160037197 /nfs/dbraw/zinc/03/71/97/160037197.db2.gz SERCAPRBNVHTJP-VIFPVBQESA-N 0 0 313.379 0.568 10 0 DCAERN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)s1 ZINC000408116511 160039663 /nfs/dbraw/zinc/03/96/63/160039663.db2.gz XKQJWGFDPCXAST-IONNQARKSA-N 0 0 319.408 0.493 10 0 DCAERN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)CC(=O)N(C)C ZINC000408115905 160039744 /nfs/dbraw/zinc/03/97/44/160039744.db2.gz MWEGAECYJZFNCY-RYUDHWBXSA-N 0 0 311.426 0.959 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000408119572 160040240 /nfs/dbraw/zinc/04/02/40/160040240.db2.gz LFDUFRQBVNUHNV-WFASDCNBSA-N 0 0 300.374 0.956 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408122070 160041243 /nfs/dbraw/zinc/04/12/43/160041243.db2.gz SZBXAFWGDQLEJW-VOMCLLRMSA-N 0 0 303.428 0.597 10 0 DCAERN CCc1nnc([C@@H](C)N2CCN(S(=O)(=O)CC)CC2)o1 ZINC000408123953 160041938 /nfs/dbraw/zinc/04/19/38/160041938.db2.gz RTUVLKZGFTVMTL-SNVBAGLBSA-N 0 0 302.400 0.660 10 0 DCAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)C1 ZINC000408128023 160042626 /nfs/dbraw/zinc/04/26/26/160042626.db2.gz ZLWCGWOHKWQVTE-VXGBXAGGSA-N 0 0 305.382 0.701 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N(C)CC(C)C)CC2 ZINC000408132006 160044108 /nfs/dbraw/zinc/04/41/08/160044108.db2.gz ICOVEOTWNBOKKN-NSHDSACASA-N 0 0 315.443 0.578 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000408132087 160044222 /nfs/dbraw/zinc/04/42/22/160044222.db2.gz JGOMYVYBSNKTGP-KBPBESRZSA-N 0 0 319.471 0.472 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H]1CO ZINC000408136158 160044844 /nfs/dbraw/zinc/04/48/44/160044844.db2.gz BMKGNVRQZOBNLU-WCQYABFASA-N 0 0 318.439 0.277 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)N(C)CC(C)C)CC1 ZINC000408135612 160045157 /nfs/dbraw/zinc/04/51/57/160045157.db2.gz YTEXQBZOMQKIGH-CYBMUJFWSA-N 0 0 307.460 0.208 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CC[C@@H](C)C3)[C@@H]2C1 ZINC000408135277 160045347 /nfs/dbraw/zinc/04/53/47/160045347.db2.gz XRTUUFOEKHYOAM-SYQHCUMBSA-N 0 0 318.439 0.841 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)NCCN2CCOCC2)C[C@H]1O ZINC000408148651 160048394 /nfs/dbraw/zinc/04/83/94/160048394.db2.gz HOXHUAODDPFVFC-UONOGXRCSA-N 0 0 313.442 0.757 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408149677 160048529 /nfs/dbraw/zinc/04/85/29/160048529.db2.gz MFGMOXSZQWPSOI-ZDUSSCGKSA-N 0 0 321.421 0.716 10 0 DCAERN CC[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1N1CCOCC1 ZINC000408150668 160048634 /nfs/dbraw/zinc/04/86/34/160048634.db2.gz NDFLHDUNYKCAIK-KGLIPLIRSA-N 0 0 323.437 0.424 10 0 DCAERN Cc1cnc(N2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)s1 ZINC000408150809 160048670 /nfs/dbraw/zinc/04/86/70/160048670.db2.gz RZTNQQKCVVYZAY-UHFFFAOYSA-N 0 0 322.434 0.969 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000408156938 160049288 /nfs/dbraw/zinc/04/92/88/160049288.db2.gz FFAREHJZWAOPNZ-CHWSQXEVSA-N 0 0 308.378 0.799 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159966 160049898 /nfs/dbraw/zinc/04/98/98/160049898.db2.gz HSXNKMXILUETMN-JHJVBQTASA-N 0 0 309.410 0.666 10 0 DCAERN Cc1noc([C@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000408160701 160049966 /nfs/dbraw/zinc/04/99/66/160049966.db2.gz JTWOELPRVBQRHJ-HLTSFMKQSA-N 0 0 304.372 0.383 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCO[C@@]3(CCCOC3)C2)n(C)n1 ZINC000408160642 160050059 /nfs/dbraw/zinc/05/00/59/160050059.db2.gz WQHHFBNNNWBXMJ-HNNXBMFYSA-N 0 0 322.365 0.075 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(O)cc3)CC2)CC(=O)N1 ZINC000408164542 160050937 /nfs/dbraw/zinc/05/09/37/160050937.db2.gz ILZXIXGKTJXPLM-QWHCGFSZSA-N 0 0 317.389 0.956 10 0 DCAERN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C(C)(C)S(C)(=O)=O ZINC000408182073 160054388 /nfs/dbraw/zinc/05/43/88/160054388.db2.gz HCWLVKLHWJCVTQ-NWDGAFQWSA-N 0 0 302.440 0.895 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc3c(c2)COC3)C1 ZINC000408183873 160054015 /nfs/dbraw/zinc/05/40/15/160054015.db2.gz ULBYKYJRYKMHFD-CYBMUJFWSA-N 0 0 310.375 0.481 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(=O)N1 ZINC000408190827 160056152 /nfs/dbraw/zinc/05/61/52/160056152.db2.gz AYUJIPAXUJMVPO-XQQFMLRXSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(c3cccc(O)c3)CC2)CC(=O)N1 ZINC000408197050 160057417 /nfs/dbraw/zinc/05/74/17/160057417.db2.gz FQUFNIGVYWTPGE-STQMWFEESA-N 0 0 317.389 0.956 10 0 DCAERN CNS(=O)(=O)N1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000408197342 160057564 /nfs/dbraw/zinc/05/75/64/160057564.db2.gz HYDSDGZMJWDGPK-ZDUSSCGKSA-N 0 0 305.444 0.009 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000408199127 160058145 /nfs/dbraw/zinc/05/81/45/160058145.db2.gz QDSVZOHONKWEMU-UHFFFAOYSA-N 0 0 312.395 0.114 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000408204111 160059331 /nfs/dbraw/zinc/05/93/31/160059331.db2.gz TVHCBHXSJMEMOK-TUAOUCFPSA-N 0 0 303.428 0.420 10 0 DCAERN Cc1ccc2nc(CN3CC[S@@](=O)[C@H](C)C3)cc(=O)n2c1 ZINC000408209570 160060727 /nfs/dbraw/zinc/06/07/27/160060727.db2.gz CZJXAXBJGFKONE-XUSGNXJCSA-N 0 0 305.403 0.956 10 0 DCAERN Cc1ccc2nc(CN3CC[S@](=O)[C@H](C)C3)cc(=O)n2c1 ZINC000408209567 160060879 /nfs/dbraw/zinc/06/08/79/160060879.db2.gz CZJXAXBJGFKONE-GTJPDFRWSA-N 0 0 305.403 0.956 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[S@@](=O)[C@@H](C)C1 ZINC000408210996 160060919 /nfs/dbraw/zinc/06/09/19/160060919.db2.gz LZXNCCCYUADAKW-SULUTDIPSA-N 0 0 303.428 0.310 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CSCC2=O)C[C@@H]1O ZINC000408212016 160061439 /nfs/dbraw/zinc/06/14/39/160061439.db2.gz SWVZTMDPOUKAFK-QWRGUYRKSA-N 0 0 300.424 0.775 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000408218069 160062262 /nfs/dbraw/zinc/06/22/62/160062262.db2.gz GXJACNIAFSDPPI-DTORHVGOSA-N 0 0 318.420 0.953 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408218583 160062495 /nfs/dbraw/zinc/06/24/95/160062495.db2.gz SUPQBYXKZWBRKG-PHIMTYICSA-N 0 0 311.382 0.733 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000408223181 160062857 /nfs/dbraw/zinc/06/28/57/160062857.db2.gz SURQUYKQBCIYQW-GXFFZTMASA-N 0 0 306.428 0.229 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000408225701 160063748 /nfs/dbraw/zinc/06/37/48/160063748.db2.gz KHJSHKKPXVHZBY-UHFFFAOYSA-N 0 0 311.407 0.984 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000408224966 160063845 /nfs/dbraw/zinc/06/38/45/160063845.db2.gz IVUPSAAXKGPTIQ-ZDUSSCGKSA-N 0 0 322.390 0.886 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2[C@H](C)C2(F)F)C1 ZINC000408231253 160064445 /nfs/dbraw/zinc/06/44/45/160064445.db2.gz LSVPBWWHUCVQSM-AEJSXWLSSA-N 0 0 310.366 0.816 10 0 DCAERN CCS(=O)(=O)NC1CCN(C(=O)[C@H]2[C@@H](C)C2(F)F)CC1 ZINC000408231749 160065043 /nfs/dbraw/zinc/06/50/43/160065043.db2.gz PGJVFHOHDWYJRE-PSASIEDQSA-N 0 0 310.366 0.818 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408234410 160065397 /nfs/dbraw/zinc/06/53/97/160065397.db2.gz FCHPSAMIISJSKL-IUCAKERBSA-N 0 0 305.425 0.895 10 0 DCAERN C[C@H]1[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1(F)F ZINC000408233896 160065645 /nfs/dbraw/zinc/06/56/45/160065645.db2.gz YHSBRBBJBWNRLN-KWQFWETISA-N 0 0 322.377 0.960 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)cnn1C ZINC000408236465 160066323 /nfs/dbraw/zinc/06/63/23/160066323.db2.gz MUTIRBYBFUVTPJ-VWYCJHECSA-N 0 0 316.427 0.733 10 0 DCAERN COCc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)n2ncnc2n1 ZINC000408240355 160067017 /nfs/dbraw/zinc/06/70/17/160067017.db2.gz LZLABPOROPGUSD-OAHLLOKOSA-N 0 0 316.365 0.377 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408239307 160067043 /nfs/dbraw/zinc/06/70/43/160067043.db2.gz WMKIJOQPOOIVAK-WDEREUQCSA-N 0 0 301.412 0.838 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC000408242880 160067806 /nfs/dbraw/zinc/06/78/06/160067806.db2.gz ZHIGMAQXMAJUHG-NEPJUHHUSA-N 0 0 304.412 0.390 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NC[C@H]2CCCS2)C1 ZINC000408246605 160068476 /nfs/dbraw/zinc/06/84/76/160068476.db2.gz NSRQZDHFFLUCRQ-VHSXEESVSA-N 0 0 307.441 0.215 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C1CCCC1 ZINC000408245994 160068545 /nfs/dbraw/zinc/06/85/45/160068545.db2.gz IDAUNDTUFFKCKK-NVXWUHKLSA-N 0 0 321.421 0.810 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)n(C)n1 ZINC000408247819 160069389 /nfs/dbraw/zinc/06/93/89/160069389.db2.gz YSTSZBMPGBLKOT-CYBMUJFWSA-N 0 0 318.381 0.478 10 0 DCAERN CC(=O)NC1(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CCCCC1 ZINC000408248080 160069492 /nfs/dbraw/zinc/06/94/92/160069492.db2.gz RWRVTYJGKGKDIS-MRXNPFEDSA-N 0 0 321.421 0.954 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@H](CCO)C1 ZINC000408251074 160069984 /nfs/dbraw/zinc/06/99/84/160069984.db2.gz VTHIMCWLGMYQTP-GFCCVEGCSA-N 0 0 307.398 0.918 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408252428 160070013 /nfs/dbraw/zinc/07/00/13/160070013.db2.gz QJZMNYQRMLEPRL-SWLSCSKDSA-N 0 0 305.382 0.583 10 0 DCAERN CC1CCN(C(=O)C2CCN(C(=O)CC(=O)N(C)C)CC2)CC1 ZINC000408263077 160072305 /nfs/dbraw/zinc/07/23/05/160072305.db2.gz RKRODUPYKBGUNE-UHFFFAOYSA-N 0 0 323.437 0.962 10 0 DCAERN CC1(C)CN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1O ZINC000408267228 160072694 /nfs/dbraw/zinc/07/26/94/160072694.db2.gz YMTDUGRCQVJZHT-AWEZNQCLSA-N 0 0 301.346 0.626 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000408269206 160073020 /nfs/dbraw/zinc/07/30/20/160073020.db2.gz BCUGXWJFKZCEGS-UHFFFAOYSA-N 0 0 301.350 0.792 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)C1(F)F ZINC000408271817 160073282 /nfs/dbraw/zinc/07/32/82/160073282.db2.gz ZYCNQCINJXTRRM-OUAUKWLOSA-N 0 0 322.377 0.914 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@H](CO)O1 ZINC000408276546 160074154 /nfs/dbraw/zinc/07/41/54/160074154.db2.gz JXNQDMDHNGVHHN-MWLCHTKSSA-N 0 0 321.333 0.631 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1CCC(C(N)=O)CC1 ZINC000408279599 160074854 /nfs/dbraw/zinc/07/48/54/160074854.db2.gz BCHHGUHATVIFGA-BPCQOVAHSA-N 0 0 324.425 0.729 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)CC3(O)CCCC3)CCO2)n1 ZINC000408277841 160075077 /nfs/dbraw/zinc/07/50/77/160075077.db2.gz BYLDZCHTCJFHFG-CQSZACIVSA-N 0 0 322.409 0.818 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000408286304 160076599 /nfs/dbraw/zinc/07/65/99/160076599.db2.gz LKYJTVJRXFPDIJ-ZDUSSCGKSA-N 0 0 316.427 0.554 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cccc(N(C)C)c1 ZINC000408287130 160076708 /nfs/dbraw/zinc/07/67/08/160076708.db2.gz PCYWFFPFBHRTBY-LLVKDONJSA-N 0 0 311.407 0.652 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCc3c2cnn3C)C1 ZINC000408292686 160077380 /nfs/dbraw/zinc/07/73/80/160077380.db2.gz UONFEAAUXPUKRH-WCQYABFASA-N 0 0 305.382 0.718 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000408296067 160078863 /nfs/dbraw/zinc/07/88/63/160078863.db2.gz AGVIWDIYPKBTOB-RYUDHWBXSA-N 0 0 311.382 0.449 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@@](C)(O)C(C)C)CC2)n1 ZINC000408301909 160080204 /nfs/dbraw/zinc/08/02/04/160080204.db2.gz WFWIJGDUTXYXDG-NHYWBVRUSA-N 0 0 310.398 0.990 10 0 DCAERN C[C@H](CCNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C)[S@@](C)=O ZINC000408305313 160080670 /nfs/dbraw/zinc/08/06/70/160080670.db2.gz IYOUKMYSVFFYRO-KQEKQNBRSA-N 0 0 308.469 0.694 10 0 DCAERN CN1CC[C@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000408306064 160081819 /nfs/dbraw/zinc/08/18/19/160081819.db2.gz OUPBITIDFJDZSV-CABZTGNLSA-N 0 0 308.300 0.771 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000408306069 160081832 /nfs/dbraw/zinc/08/18/32/160081832.db2.gz OUPBITIDFJDZSV-SKDRFNHKSA-N 0 0 308.300 0.771 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408311740 160083319 /nfs/dbraw/zinc/08/33/19/160083319.db2.gz ZZKKYKJILKZJDI-JTQLQIEISA-N 0 0 315.395 0.699 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H]1CCO[C@@H]1C ZINC000408322912 160084716 /nfs/dbraw/zinc/08/47/16/160084716.db2.gz WILGRSXXTVQNFJ-WYUUTHIRSA-N 0 0 305.396 0.815 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)CCS1(=O)=O ZINC000408331592 160086905 /nfs/dbraw/zinc/08/69/05/160086905.db2.gz ROQMLVSRFJFXPF-SECBINFHSA-N 0 0 300.384 0.292 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCO[C@@H](CO)C1 ZINC000408351232 160090647 /nfs/dbraw/zinc/09/06/47/160090647.db2.gz ZBMBESVBDVXEOO-RDBSUJKOSA-N 0 0 300.399 0.983 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408364079 160092477 /nfs/dbraw/zinc/09/24/77/160092477.db2.gz GEFZEUNHKLYLQN-GXFFZTMASA-N 0 0 300.380 0.462 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000408363644 160092504 /nfs/dbraw/zinc/09/25/04/160092504.db2.gz YSPJIILPMOXYHH-SNVBAGLBSA-N 0 0 318.399 0.811 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)s1 ZINC000408366405 160092923 /nfs/dbraw/zinc/09/29/23/160092923.db2.gz MECWVACXVAUQJE-SNVBAGLBSA-N 0 0 304.437 0.744 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](CCO)C1 ZINC000408364969 160092976 /nfs/dbraw/zinc/09/29/76/160092976.db2.gz DBYJKROHVBYOJC-JHJVBQTASA-N 0 0 318.439 0.756 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000408374794 160094413 /nfs/dbraw/zinc/09/44/13/160094413.db2.gz MMIMPDHSXXZVGC-OCCSQVGLSA-N 0 0 300.424 0.919 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N[C@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1=O ZINC000408381048 160095750 /nfs/dbraw/zinc/09/57/50/160095750.db2.gz GTVKRKBDVAWIGW-VOAKCMCISA-N 0 0 322.409 0.304 10 0 DCAERN O=C(Nc1ccc2c(c1)NC(=O)CS2)N1CCO[C@H](CO)C1 ZINC000408379563 160095899 /nfs/dbraw/zinc/09/58/99/160095899.db2.gz MDZDETJBDLLRIN-JTQLQIEISA-N 0 0 323.374 0.956 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000408380419 160096023 /nfs/dbraw/zinc/09/60/23/160096023.db2.gz YZAPNMNHPDJWRO-AVGNSLFASA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@H](CO)C1)C(=O)N1CCCC[C@@H]1C ZINC000408384177 160096518 /nfs/dbraw/zinc/09/65/18/160096518.db2.gz YYDLVSWENPSWLF-AVGNSLFASA-N 0 0 313.398 0.179 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408384620 160096563 /nfs/dbraw/zinc/09/65/63/160096563.db2.gz ZZNYFYZXFHHUEP-OLZOCXBDSA-N 0 0 324.425 0.696 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000408390170 160098230 /nfs/dbraw/zinc/09/82/30/160098230.db2.gz RNBRXGJDZTUEMW-MHDGFBEUSA-N 0 0 322.409 0.990 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408389486 160098288 /nfs/dbraw/zinc/09/82/88/160098288.db2.gz KVMBIWPEBBHUNY-SECBINFHSA-N 0 0 313.301 0.591 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408391972 160099021 /nfs/dbraw/zinc/09/90/21/160099021.db2.gz AKZYYHKKAKDWKM-XQQFMLRXSA-N 0 0 318.439 0.588 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000408393971 160099156 /nfs/dbraw/zinc/09/91/56/160099156.db2.gz LSTSYKZINJRXJN-CMPLNLGQSA-N 0 0 320.455 0.570 10 0 DCAERN CC(C)[C@@H](O)C1(CNC(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000408392393 160099190 /nfs/dbraw/zinc/09/91/90/160099190.db2.gz BVTXWAAYBCIYAC-LLVKDONJSA-N 0 0 304.412 0.224 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCCC[C@@H]1C(=O)NC ZINC000408398498 160100213 /nfs/dbraw/zinc/10/02/13/160100213.db2.gz WWNQWDJUNSASPO-SNVBAGLBSA-N 0 0 300.384 0.192 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@]1(O)CCSC1 ZINC000408404231 160100987 /nfs/dbraw/zinc/10/09/87/160100987.db2.gz FTPAHOKFXYILHX-ZWNOBZJWSA-N 0 0 311.411 0.589 10 0 DCAERN COC[C@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)CCO1 ZINC000408404232 160101170 /nfs/dbraw/zinc/10/11/70/160101170.db2.gz FUVLQBMKFLBUEB-NEPJUHHUSA-N 0 0 309.370 0.478 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3C[C@@H](O)C[C@@H]3CO)c(O)c2O1 ZINC000408410308 160102723 /nfs/dbraw/zinc/10/27/23/160102723.db2.gz NPMCVOHWKOMHRW-MNOVXSKESA-N 0 0 307.346 0.673 10 0 DCAERN COCn1nccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408420846 160104100 /nfs/dbraw/zinc/10/41/00/160104100.db2.gz AWRIIFZDPWWQJS-NEPJUHHUSA-N 0 0 315.395 0.819 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CO1 ZINC000408421386 160104308 /nfs/dbraw/zinc/10/43/08/160104308.db2.gz JLPDSKDIBJTUNG-KXNHARMFSA-N 0 0 304.412 0.388 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CO1 ZINC000408420594 160104507 /nfs/dbraw/zinc/10/45/07/160104507.db2.gz YBZMQEYPWBYVSW-OUAUKWLOSA-N 0 0 306.366 0.640 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000408445375 160109445 /nfs/dbraw/zinc/10/94/45/160109445.db2.gz XCGOVJOPUDMOPI-LZWOXQAQSA-N 0 0 312.410 0.633 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000408455477 160111535 /nfs/dbraw/zinc/11/15/35/160111535.db2.gz DHJKTQVAPZVNBY-SECBINFHSA-N 0 0 323.374 0.147 10 0 DCAERN Cc1nc([C@H]2CCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C)no1 ZINC000408455284 160111951 /nfs/dbraw/zinc/11/19/51/160111951.db2.gz XDAOGXXSDQCNCH-PSASIEDQSA-N 0 0 316.383 0.321 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000408459595 160112922 /nfs/dbraw/zinc/11/29/22/160112922.db2.gz JDNOMHZGQKZXCG-CHWSQXEVSA-N 0 0 307.412 0.480 10 0 DCAERN CC(C)(C)c1nnc(N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000408471155 160115162 /nfs/dbraw/zinc/11/51/62/160115162.db2.gz RWPLZSUUGFLKOI-MRVPVSSYSA-N 0 0 304.441 0.964 10 0 DCAERN Cc1cccc(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)c1 ZINC000065524021 286904032 /nfs/dbraw/zinc/90/40/32/286904032.db2.gz FXBXKUKMLKJSEE-UHFFFAOYSA-N 0 0 324.402 0.507 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)CCC(=O)N1CCOCC1 ZINC000075132252 286917723 /nfs/dbraw/zinc/91/77/23/286917723.db2.gz SWWVHRFXAOQULA-INIZCTEOSA-N 0 0 314.426 0.929 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000077867335 286921980 /nfs/dbraw/zinc/92/19/80/286921980.db2.gz IDRJUAYYLNFAKP-UHFFFAOYSA-N 0 0 300.318 0.610 10 0 DCAERN C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCCO1 ZINC000079235107 286923846 /nfs/dbraw/zinc/92/38/46/286923846.db2.gz BKGQYOIFLDNMDE-QWHCGFSZSA-N 0 0 312.414 0.017 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000081552031 286929170 /nfs/dbraw/zinc/92/91/70/286929170.db2.gz RPZNTCNPFDLIBO-RKDXNWHRSA-N 0 0 316.379 0.746 10 0 DCAERN C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000120515490 286952093 /nfs/dbraw/zinc/95/20/93/286952093.db2.gz JGMAYSRRDLZHNL-WDEREUQCSA-N 0 0 317.411 0.530 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@H]1C ZINC000125499913 286967055 /nfs/dbraw/zinc/96/70/55/286967055.db2.gz HJBWVUGKINZAMP-QWRGUYRKSA-N 0 0 314.349 0.858 10 0 DCAERN CCCC[C@@H](COC)NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000129009974 286985929 /nfs/dbraw/zinc/98/59/29/286985929.db2.gz LQRVKSRTJWCMAX-NSHDSACASA-N 0 0 321.381 0.451 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N(C)CC(=O)NC(C)(C)C ZINC000128770199 286984548 /nfs/dbraw/zinc/98/45/48/286984548.db2.gz FQOCKKLAIBBRSK-UHFFFAOYSA-N 0 0 320.455 0.820 10 0 DCAERN COCCS(=O)(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000129784483 286990407 /nfs/dbraw/zinc/99/04/07/286990407.db2.gz LQLWYTTWDOAQOS-LLVKDONJSA-N 0 0 310.379 0.894 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000131104587 286998190 /nfs/dbraw/zinc/99/81/90/286998190.db2.gz PFEZUEFTPQQFKY-GFCCVEGCSA-N 0 0 321.381 0.215 10 0 DCAERN O=C(NCCNc1cncc(OCCO)n1)c1ccccc1F ZINC000131723608 287001636 /nfs/dbraw/zinc/00/16/36/287001636.db2.gz JMHBAQHQPDIUTQ-UHFFFAOYSA-N 0 0 320.324 0.829 10 0 DCAERN Cc1nc(C(=O)NC[C@H](CO)c2ccccc2)c(=O)[nH]c1C ZINC000133033052 287008724 /nfs/dbraw/zinc/00/87/24/287008724.db2.gz BWFQZWCFCLWBHV-CYBMUJFWSA-N 0 0 301.346 0.893 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000134485448 287016287 /nfs/dbraw/zinc/01/62/87/287016287.db2.gz WLAOGRCNFMFDCD-ZIAGYGMSSA-N 0 0 324.425 0.113 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@@](C)(O)C3)nc2n1 ZINC000134086676 287015018 /nfs/dbraw/zinc/01/50/18/287015018.db2.gz SDERODFNVSFCTR-OAHLLOKOSA-N 0 0 303.366 0.657 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000135509789 287022928 /nfs/dbraw/zinc/02/29/28/287022928.db2.gz USGQPEMPSLIDLT-NWDGAFQWSA-N 0 0 318.439 0.684 10 0 DCAERN O=C(Cc1[nH]c(O)nc1O)Nc1cc(-c2cccs2)n[nH]1 ZINC000137828923 287028930 /nfs/dbraw/zinc/02/89/30/287028930.db2.gz YHUBLMFTTOZLTI-ZETCQYMHSA-N 0 0 305.319 0.675 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000152755379 287044111 /nfs/dbraw/zinc/04/41/11/287044111.db2.gz JULCXADWJFTDND-CABCVRRESA-N 0 0 322.405 0.260 10 0 DCAERN O=C(CO)N1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000152834762 287044545 /nfs/dbraw/zinc/04/45/45/287044545.db2.gz SYFXTLGXBUHNGJ-UHFFFAOYSA-N 0 0 318.352 0.648 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)C(=O)c1ccc2c(c1)CCC2 ZINC000153325958 287049282 /nfs/dbraw/zinc/04/92/82/287049282.db2.gz ZZQNJVZCNKOABK-GFCCVEGCSA-N 0 0 300.314 0.279 10 0 DCAERN CC[C@@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181113352 287056281 /nfs/dbraw/zinc/05/62/81/287056281.db2.gz TWTVECAKXZWMAL-MCIONIFRSA-N 0 0 319.471 0.757 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(C)c(C)c1 ZINC000186995237 287058137 /nfs/dbraw/zinc/05/81/37/287058137.db2.gz QHUZVBHEYZLVGF-GXTWGEPZSA-N 0 0 304.346 0.770 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245657770 287071426 /nfs/dbraw/zinc/07/14/26/287071426.db2.gz FCJQUDZUXBVHQC-NEPJUHHUSA-N 0 0 300.399 0.489 10 0 DCAERN C[C@@H]1C(=O)NCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245898069 287074171 /nfs/dbraw/zinc/07/41/71/287074171.db2.gz JKZIENPETSEXBA-NXEZZACHSA-N 0 0 307.316 0.608 10 0 DCAERN CCN(Cc1cnn(C)c1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246056447 287075726 /nfs/dbraw/zinc/07/57/26/287075726.db2.gz CVYAWFQGEOPLGE-VXGBXAGGSA-N 0 0 316.427 0.596 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000246211994 287079471 /nfs/dbraw/zinc/07/94/71/287079471.db2.gz SATCWZAOAITFFX-QJPTWQEYSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)C[C@@H](C)O1 ZINC000246226331 287079685 /nfs/dbraw/zinc/07/96/85/287079685.db2.gz HIRGPNYCXKTOEN-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246268471 287080152 /nfs/dbraw/zinc/08/01/52/287080152.db2.gz VQIOVOWWVILAQT-RWMBFGLXSA-N 0 0 306.428 0.699 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246727453 287087234 /nfs/dbraw/zinc/08/72/34/287087234.db2.gz VSMOSJDOUVMNOS-QRTLGDNMSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H](NC(=O)CN1[C@H](C)COC[C@@H]1C)C(=O)N1CCCCC1 ZINC000246997310 287089846 /nfs/dbraw/zinc/08/98/46/287089846.db2.gz MZSBVQLFGQBMQI-HZSPNIEDSA-N 0 0 311.426 0.613 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248503601 287098119 /nfs/dbraw/zinc/09/81/19/287098119.db2.gz VBJHYIPHOGRKPY-GABTYQIGSA-N 0 0 312.457 0.039 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CCN1CC(F)(F)F ZINC000248981567 287104678 /nfs/dbraw/zinc/10/46/78/287104678.db2.gz VPMHGUFLCDDRFO-OPRDCNLKSA-N 0 0 323.315 0.114 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249379945 287109276 /nfs/dbraw/zinc/10/92/76/287109276.db2.gz ZPZDAMOEABVGCY-SDDRHHMPSA-N 0 0 316.423 0.088 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249562790 287114457 /nfs/dbraw/zinc/11/44/57/287114457.db2.gz MCUYVULIVMETBA-MGPQQGTHSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1C ZINC000249518372 287112640 /nfs/dbraw/zinc/11/26/40/287112640.db2.gz KTLQHXDJMFDLFX-RYUDHWBXSA-N 0 0 309.414 0.560 10 0 DCAERN CO[C@@H]1CN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H]1C ZINC000252005534 287120270 /nfs/dbraw/zinc/12/02/70/287120270.db2.gz WZYYDNYCWFODMV-FDYHWXHSSA-N 0 0 318.439 0.035 10 0 DCAERN CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000373804204 287198506 /nfs/dbraw/zinc/19/85/06/287198506.db2.gz GZZKANDILGSBPV-MJBXVCDLSA-N 0 0 305.440 0.937 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000358311762 287207036 /nfs/dbraw/zinc/20/70/36/287207036.db2.gz RZIIWSCBTCGGMV-STQMWFEESA-N 0 0 306.362 0.763 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000404151858 287232392 /nfs/dbraw/zinc/23/23/92/287232392.db2.gz MNENQQCLWFXQKE-VXGBXAGGSA-N 0 0 300.355 0.577 10 0 DCAERN Cc1cnc(S(C)(=O)=O)nc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000408355187 287233648 /nfs/dbraw/zinc/23/36/48/287233648.db2.gz LLUWERQOTDJSBY-AOOOYVTPSA-N 0 0 313.379 0.438 10 0 DCAERN CCCOc1nccnc1N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000624394192 411755697 /nfs/dbraw/zinc/75/56/97/411755697.db2.gz XGAZLVUAMMUOOF-ZJUUUORDSA-N 0 0 301.368 0.489 10 0 DCAERN CCOc1ccccc1N1CCN(C(=O)[C@@H](C)NC(N)=O)CC1 ZINC000002648847 415125854 /nfs/dbraw/zinc/12/58/54/415125854.db2.gz LHFPZOOHXCYGPI-GFCCVEGCSA-N 0 0 320.393 0.791 10 0 DCAERN CC(C)C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N1CCOCC1 ZINC000026067210 415164118 /nfs/dbraw/zinc/16/41/18/415164118.db2.gz XIFPGUXBJUTOPP-ZDUSSCGKSA-N 0 0 322.409 0.257 10 0 DCAERN Cn1ncc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1C1CC1 ZINC000268326430 415194265 /nfs/dbraw/zinc/19/42/65/415194265.db2.gz DERSPURVVWZOLZ-UHFFFAOYSA-N 0 0 311.407 0.947 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000331689835 415187702 /nfs/dbraw/zinc/18/77/02/415187702.db2.gz WQJAHOCHRQETJR-ONGXEEELSA-N 0 0 319.390 0.828 10 0 DCAERN Nc1ccccc1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000342487341 415188335 /nfs/dbraw/zinc/18/83/35/415188335.db2.gz CLVNJFLWUKGSFF-SNVBAGLBSA-N 0 0 318.420 0.514 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000268531558 415236885 /nfs/dbraw/zinc/23/68/85/415236885.db2.gz DHBDEZUIGQJHOV-HBNTYKKESA-N 0 0 316.365 0.482 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccnn1C ZINC000047475324 415269274 /nfs/dbraw/zinc/26/92/74/415269274.db2.gz RLBDFYUIFJFAEI-UHFFFAOYSA-N 0 0 308.363 0.306 10 0 DCAERN Cn1nccc1CNC(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000047457924 415271104 /nfs/dbraw/zinc/27/11/04/415271104.db2.gz RIBXMVALWSZLJI-UHFFFAOYSA-N 0 0 319.340 0.675 10 0 DCAERN CCCNC(=O)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000048067194 415281688 /nfs/dbraw/zinc/28/16/88/415281688.db2.gz HRJOKJCKFRCCKZ-UHFFFAOYSA-N 0 0 306.366 0.242 10 0 DCAERN CC(C)(C)c1n[nH]c(SC[C@@H](O)CN2CCOCC2)n1 ZINC000054866658 415328810 /nfs/dbraw/zinc/32/88/10/415328810.db2.gz LAIAUALVOIXWTL-JTQLQIEISA-N 0 0 300.428 0.887 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)s1 ZINC000067571770 415379051 /nfs/dbraw/zinc/37/90/51/415379051.db2.gz LZJIKXSDAFTLEA-LLVKDONJSA-N 0 0 309.391 0.864 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000067844349 415389197 /nfs/dbraw/zinc/38/91/97/415389197.db2.gz SQFKEKYLKBFMPV-LLVKDONJSA-N 0 0 314.407 0.981 10 0 DCAERN C[C@@H]1CN(CCN(C)c2nc3c(cnn3C)c(N)n2)C[C@H](C)O1 ZINC000278793627 415487835 /nfs/dbraw/zinc/48/78/35/415487835.db2.gz HAMAKWJJAMJIHV-PHIMTYICSA-N 0 0 319.413 0.491 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000278853584 415498996 /nfs/dbraw/zinc/49/89/96/415498996.db2.gz DLRHRIQCGZRJKX-UHFFFAOYSA-N 0 0 317.345 0.548 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)Cn1cccn1 ZINC000332761971 415465597 /nfs/dbraw/zinc/46/55/97/415465597.db2.gz UWWZUEQLNGORBK-RBSFLKMASA-N 0 0 321.425 0.634 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000078873962 415468599 /nfs/dbraw/zinc/46/85/99/415468599.db2.gz RRSYLXPIZUGTQY-UHFFFAOYSA-N 0 0 304.350 0.313 10 0 DCAERN CCC[C@H]1C[C@@H](C(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332776780 415472896 /nfs/dbraw/zinc/47/28/96/415472896.db2.gz VAIUFIPMHCXQLD-XDQVBPFNSA-N 0 0 308.382 0.930 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nc[nH]n1 ZINC000086169717 415509536 /nfs/dbraw/zinc/50/95/36/415509536.db2.gz ASKNRISATUIFGK-VHSXEESVSA-N 0 0 308.363 0.844 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cn2c(n1)CCCC2 ZINC000333030347 415536060 /nfs/dbraw/zinc/53/60/60/415536060.db2.gz CBCMLOUNRCUGQH-JQWIXIFHSA-N 0 0 305.382 0.686 10 0 DCAERN CCCO[C@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(C)=O)CC1 ZINC000333036221 415539161 /nfs/dbraw/zinc/53/91/61/415539161.db2.gz NNKSUXXFZPFGKA-SOUVJXGZSA-N 0 0 312.410 0.776 10 0 DCAERN CC1CCN(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000091993039 415540169 /nfs/dbraw/zinc/54/01/69/415540169.db2.gz ONRZWZFTUHQXMG-GFCCVEGCSA-N 0 0 318.443 0.343 10 0 DCAERN COC(=O)[C@@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696305 415544730 /nfs/dbraw/zinc/54/47/30/415544730.db2.gz WHHUDPGAZFGAEX-NEPJUHHUSA-N 0 0 306.428 0.445 10 0 DCAERN COCC1(O)CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333120406 415563873 /nfs/dbraw/zinc/56/38/73/415563873.db2.gz GLEMJPXAWGGLOZ-AGIUHOORSA-N 0 0 303.424 0.978 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000333131540 415567136 /nfs/dbraw/zinc/56/71/36/415567136.db2.gz WVAPDQMIXYVCRC-CQROYNQRSA-N 0 0 320.393 0.764 10 0 DCAERN COC[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000103357128 415617087 /nfs/dbraw/zinc/61/70/87/415617087.db2.gz AKLXAZBVIWXMJQ-JTQLQIEISA-N 0 0 300.380 0.275 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333356572 415622014 /nfs/dbraw/zinc/62/20/14/415622014.db2.gz GMUZESYLUKLBBG-DGAVXFQQSA-N 0 0 324.381 0.041 10 0 DCAERN CN1C(=O)CC[C@@H](Nc2ccc3nnc(C(C)(C)C)n3n2)C1=O ZINC000333379636 415628302 /nfs/dbraw/zinc/62/83/02/415628302.db2.gz BGLQQEZSLHYXNJ-SECBINFHSA-N 0 0 316.365 0.981 10 0 DCAERN Cc1nnc(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C ZINC000105928165 415634064 /nfs/dbraw/zinc/63/40/64/415634064.db2.gz CAOIBXCPBYORLZ-ZDUSSCGKSA-N 0 0 320.441 0.252 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333218889 415586760 /nfs/dbraw/zinc/58/67/60/415586760.db2.gz WCJSHNLNGMIFRP-FVCCEPFGSA-N 0 0 316.423 0.030 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284167691 415593305 /nfs/dbraw/zinc/59/33/05/415593305.db2.gz RJCVDRUYYSTJCF-RWMBFGLXSA-N 0 0 321.377 0.329 10 0 DCAERN Cc1csc([C@H]2CN(CCNS(C)(=O)=O)CCO2)n1 ZINC000107300272 415663064 /nfs/dbraw/zinc/66/30/64/415663064.db2.gz ZBVVYDWASRYZTG-SNVBAGLBSA-N 0 0 305.425 0.374 10 0 DCAERN O=C([C@H]1CCCO1)N(C1CC1)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000333506369 415669466 /nfs/dbraw/zinc/66/94/66/415669466.db2.gz DKQGHLDQGHFCEO-SOUVJXGZSA-N 0 0 322.405 0.936 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)C2CC2)C1 ZINC000333533374 415674874 /nfs/dbraw/zinc/67/48/74/415674874.db2.gz MPGKWUKOBFFYHM-WCQYABFASA-N 0 0 322.409 0.660 10 0 DCAERN O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1[C@@H]1COc2ccc(F)cc2C1 ZINC000288788075 415687066 /nfs/dbraw/zinc/68/70/66/415687066.db2.gz XIZBDNZFXGKZMR-OBJOEFQTSA-N 0 0 320.320 0.917 10 0 DCAERN COC(=O)CCCc1nc(CN2C[C@@H](C(N)=O)CC[C@H]2C)no1 ZINC000111220860 415689438 /nfs/dbraw/zinc/68/94/38/415689438.db2.gz LGUQWERAPFJWFZ-MNOVXSKESA-N 0 0 324.381 0.651 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3C[C@@](C)(O)C3)C2)nn1 ZINC000333611895 415696190 /nfs/dbraw/zinc/69/61/90/415696190.db2.gz YBGDQHXSFKUSHK-IOASZLSFSA-N 0 0 319.409 0.966 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)c2nccn21 ZINC000333620807 415697062 /nfs/dbraw/zinc/69/70/62/415697062.db2.gz UEMDAQOKOFOIBP-NOOOWODRSA-N 0 0 317.353 0.420 10 0 DCAERN CCOC(=O)c1csc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000425240740 287315006 /nfs/dbraw/zinc/31/50/06/287315006.db2.gz ZEGUOWLVCILMLB-QMMMGPOBSA-N 0 0 319.408 0.448 10 0 DCAERN CN(C(=O)NCc1ccc2c(n1)CCCC2)[C@H]1CCNC1=O ZINC000333765965 415734005 /nfs/dbraw/zinc/73/40/05/415734005.db2.gz WRMJUDDXCQGHGK-AWEZNQCLSA-N 0 0 302.378 0.990 10 0 DCAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccnc3)CCO2)c1 ZINC000112094242 415706603 /nfs/dbraw/zinc/70/66/03/415706603.db2.gz FFCNOIZSPQCGNA-CYBMUJFWSA-N 0 0 322.390 0.676 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112657448 415713253 /nfs/dbraw/zinc/71/32/53/415713253.db2.gz DBWKFEOTLDXWJI-NWDGAFQWSA-N 0 0 305.382 0.500 10 0 DCAERN CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112663157 415714579 /nfs/dbraw/zinc/71/45/79/415714579.db2.gz YDZUMZXUXSFLAO-SNVBAGLBSA-N 0 0 309.370 0.624 10 0 DCAERN CCC(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000333803767 415744180 /nfs/dbraw/zinc/74/41/80/415744180.db2.gz YREZCBYDVMIDDW-CHWSQXEVSA-N 0 0 324.425 0.903 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCNC1=O ZINC000333767859 415734652 /nfs/dbraw/zinc/73/46/52/415734652.db2.gz XDMVZQDVYNNLCY-MNOVXSKESA-N 0 0 320.397 0.814 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC23CC3)c1 ZINC000425328686 287316762 /nfs/dbraw/zinc/31/67/62/287316762.db2.gz UNLRRJQPPHQYEV-ZDUSSCGKSA-N 0 0 322.386 0.836 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NCc3ncn(C)n3)CC2=O)cc1 ZINC000120429944 415766182 /nfs/dbraw/zinc/76/61/82/415766182.db2.gz NJJLRGBOPDSZPF-GFCCVEGCSA-N 0 0 313.361 0.793 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](COC)C3CC3)CCO2)[nH]1 ZINC000119855618 415753008 /nfs/dbraw/zinc/75/30/08/415753008.db2.gz NASOYVLSGUJTBJ-RYUDHWBXSA-N 0 0 323.397 0.875 10 0 DCAERN COCCS(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122207483 415830966 /nfs/dbraw/zinc/83/09/66/415830966.db2.gz SJUJYOKWBMIDCJ-UHFFFAOYSA-N 0 0 300.384 0.329 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000123037864 415840511 /nfs/dbraw/zinc/84/05/11/415840511.db2.gz HRFQUQISFROTRX-VIFPVBQESA-N 0 0 305.318 0.740 10 0 DCAERN CCCCn1c(N)c(N(C)C[C@H](O)C(F)(F)F)c(=O)[nH]c1=O ZINC000120667760 415778951 /nfs/dbraw/zinc/77/89/51/415778951.db2.gz HAIYMJGOWKVVOO-ZETCQYMHSA-N 0 0 324.303 0.278 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000120628692 415779996 /nfs/dbraw/zinc/77/99/96/415779996.db2.gz SNVQPHRMJLDNFG-AWEZNQCLSA-N 0 0 314.407 0.965 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000120741320 415783662 /nfs/dbraw/zinc/78/36/62/415783662.db2.gz DXVDRIBCOOMNIB-ZDUSSCGKSA-N 0 0 308.382 0.287 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nc1 ZINC000121024861 415790063 /nfs/dbraw/zinc/79/00/63/415790063.db2.gz NQLOGQBUSWCTLD-BLLLJJGKSA-N 0 0 303.362 0.948 10 0 DCAERN C[C@@H]1[C@@H](CO)CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334048789 415793719 /nfs/dbraw/zinc/79/37/19/415793719.db2.gz QYGGFBOSDIUZGN-FVCCEPFGSA-N 0 0 309.370 0.020 10 0 DCAERN CC(C)C[C@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000124136494 415850747 /nfs/dbraw/zinc/85/07/47/415850747.db2.gz DKTLOWIUZIRKGV-MCIONIFRSA-N 0 0 322.471 0.975 10 0 DCAERN CN1CCc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CO)cc21 ZINC000121194189 415796510 /nfs/dbraw/zinc/79/65/10/415796510.db2.gz VHSAIBFUJPZQPF-CYBMUJFWSA-N 0 0 303.362 0.601 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cn1 ZINC000121164452 415797214 /nfs/dbraw/zinc/79/72/14/415797214.db2.gz WRPLMBRCDHNARO-CYBMUJFWSA-N 0 0 320.393 0.850 10 0 DCAERN COC(=O)c1nc(NCCCCS(N)(=O)=O)sc1C ZINC000336815628 415818270 /nfs/dbraw/zinc/81/82/70/415818270.db2.gz IJCQHSMRPPIQNV-UHFFFAOYSA-N 0 0 307.397 0.719 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3nccnc3c2)CCS1(=O)=O ZINC000121965606 415823560 /nfs/dbraw/zinc/82/35/60/415823560.db2.gz CRGDHHCUUBMHFJ-JTQLQIEISA-N 0 0 305.359 0.889 10 0 DCAERN CN(C)c1ncc(NC(=O)CNC(=O)c2cccs2)cn1 ZINC000126113707 415871100 /nfs/dbraw/zinc/87/11/00/415871100.db2.gz WTEMSIUYLLBUHU-UHFFFAOYSA-N 0 0 305.363 0.973 10 0 DCAERN O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000126354499 415873533 /nfs/dbraw/zinc/87/35/33/415873533.db2.gz IFLBYFRZRZXWRY-OLZOCXBDSA-N 0 0 316.423 0.486 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)CCS1(=O)=O ZINC000129850791 415911339 /nfs/dbraw/zinc/91/13/39/415911339.db2.gz MENKMSPIEVPRKF-SNVBAGLBSA-N 0 0 307.375 0.832 10 0 DCAERN CCOCCN1CCN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C ZINC000130558554 415922000 /nfs/dbraw/zinc/92/20/00/415922000.db2.gz QAQVNWFVJDKXKO-CYBMUJFWSA-N 0 0 307.394 0.866 10 0 DCAERN O=C(C(=O)N1CCNC(=O)CC1)N1CCc2c1cccc2Cl ZINC000133790568 415951332 /nfs/dbraw/zinc/95/13/32/415951332.db2.gz FFQXPWJSBDCMKW-UHFFFAOYSA-N 0 0 321.764 0.578 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCOC1 ZINC000337530414 415973114 /nfs/dbraw/zinc/97/31/14/415973114.db2.gz CUIYYUKZLNJQML-NSHDSACASA-N 0 0 305.334 0.513 10 0 DCAERN Cc1ccc([C@@]2(C)NC(=O)N(CC3(O)CCOCC3)C2=O)o1 ZINC000153018165 415973780 /nfs/dbraw/zinc/97/37/80/415973780.db2.gz LQWVURXQACMWCL-CQSZACIVSA-N 0 0 308.334 0.897 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(C(=O)NCC[C@@H](C)O)cc1 ZINC000153064571 415975924 /nfs/dbraw/zinc/97/59/24/415975924.db2.gz OHCCSSPNNQWEIZ-VXGBXAGGSA-N 0 0 308.378 0.688 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)[C@H]1CCCO1 ZINC000153403583 415980403 /nfs/dbraw/zinc/98/04/03/415980403.db2.gz RPCAOONHMNCSKH-PSASIEDQSA-N 0 0 316.308 0.770 10 0 DCAERN CC(=O)NCCNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000153509097 415982964 /nfs/dbraw/zinc/98/29/64/415982964.db2.gz MNDZTTJUOHBALI-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000153646994 415986721 /nfs/dbraw/zinc/98/67/21/415986721.db2.gz FEZICHYRUPPKHA-QWHCGFSZSA-N 0 0 305.382 0.577 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CSC(=O)N2)c(C(F)(F)F)n1 ZINC000153903729 415989160 /nfs/dbraw/zinc/98/91/60/415989160.db2.gz AUQMLTBLTBNKTI-LURJTMIESA-N 0 0 308.285 0.880 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000155046477 415992694 /nfs/dbraw/zinc/99/26/94/415992694.db2.gz ATISMYDKVDWVSL-GXTWGEPZSA-N 0 0 319.409 0.661 10 0 DCAERN CCCS(=O)(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000158530042 416000450 /nfs/dbraw/zinc/00/04/50/416000450.db2.gz OROASCSQRVIBDR-LBPRGKRZSA-N 0 0 301.412 0.905 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cncc(F)c2)[C@H](C)C1 ZINC000357198219 416043636 /nfs/dbraw/zinc/04/36/36/416043636.db2.gz BIYOBYNHVVZBTM-SECBINFHSA-N 0 0 301.343 0.462 10 0 DCAERN Cc1cnn(CCNC(=O)c2cccc(CS(N)(=O)=O)c2)c1 ZINC000172125460 416044024 /nfs/dbraw/zinc/04/40/24/416044024.db2.gz OPDDSIFLRDSBFL-UHFFFAOYSA-N 0 0 322.390 0.410 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000172371506 416044887 /nfs/dbraw/zinc/04/48/87/416044887.db2.gz FPRDDWQDAIQCTR-DGCLKSJQSA-N 0 0 309.387 0.883 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000172612798 416047866 /nfs/dbraw/zinc/04/78/66/416047866.db2.gz NEWHYNMQNZUQOR-VXGBXAGGSA-N 0 0 303.428 0.741 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172575548 416047941 /nfs/dbraw/zinc/04/79/41/416047941.db2.gz QYRDWWXVYDHOHU-WDEREUQCSA-N 0 0 312.414 0.492 10 0 DCAERN CNC(=O)Cc1nc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cs1 ZINC000173212198 416055532 /nfs/dbraw/zinc/05/55/32/416055532.db2.gz WMTWABSVPCUEFX-VHSXEESVSA-N 0 0 310.423 0.517 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2c2ccncc2)nn1 ZINC000173261563 416055542 /nfs/dbraw/zinc/05/55/42/416055542.db2.gz LEKJHYQGBYVPDF-GFCCVEGCSA-N 0 0 300.322 0.136 10 0 DCAERN CCOc1c(F)cccc1C(=O)NCCNS(C)(=O)=O ZINC000173279272 416056012 /nfs/dbraw/zinc/05/60/12/416056012.db2.gz PMSVGLZBVCLPJA-UHFFFAOYSA-N 0 0 304.343 0.503 10 0 DCAERN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cccnc3)C2)cn1 ZINC000173415412 416057525 /nfs/dbraw/zinc/05/75/25/416057525.db2.gz RSERBGACEKDDKV-GFCCVEGCSA-N 0 0 321.406 0.762 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173353858 416057878 /nfs/dbraw/zinc/05/78/78/416057878.db2.gz BALZHBZIQCUBHP-JQWIXIFHSA-N 0 0 311.386 0.028 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173485230 416059102 /nfs/dbraw/zinc/05/91/02/416059102.db2.gz ZMCSLDRPWHHRSI-CQSZACIVSA-N 0 0 321.425 0.653 10 0 DCAERN CC(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)[C@@H](C)C1 ZINC000357297415 416059297 /nfs/dbraw/zinc/05/92/97/416059297.db2.gz CNCCGROVQSVHKJ-ONGXEEELSA-N 0 0 307.316 0.702 10 0 DCAERN CCS(=O)(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000173575464 416061284 /nfs/dbraw/zinc/06/12/84/416061284.db2.gz YQKSSMWKRLTNHW-UHFFFAOYSA-N 0 0 314.411 0.804 10 0 DCAERN CNC(=O)c1cccc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000173864046 416066661 /nfs/dbraw/zinc/06/66/61/416066661.db2.gz BFYNAHBOYNWZNB-GWCFXTLKSA-N 0 0 303.362 0.820 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCN(Cc3ccon3)CC2)C[C@H](C)O1 ZINC000173936792 416069694 /nfs/dbraw/zinc/06/96/94/416069694.db2.gz PDRGBQISMMPSOJ-KBPBESRZSA-N 0 0 322.409 0.428 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000174186540 416074386 /nfs/dbraw/zinc/07/43/86/416074386.db2.gz VPSKCWXYACXLSF-LBPRGKRZSA-N 0 0 303.370 0.894 10 0 DCAERN Cc1nc(CNC(=O)N2CCN(CCOC(C)C)CC2)no1 ZINC000174291125 416074835 /nfs/dbraw/zinc/07/48/35/416074835.db2.gz COKBBGVHYUWTHA-UHFFFAOYSA-N 0 0 311.386 0.630 10 0 DCAERN C[C@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1cccc(Cl)c1 ZINC000174417640 416077583 /nfs/dbraw/zinc/07/75/83/416077583.db2.gz XWONUMDCURBECV-LURJTMIESA-N 0 0 308.725 0.790 10 0 DCAERN COc1cccc(N2CCN(C(=O)CC(=O)N(C)C)CC2)c1 ZINC000174406193 416078209 /nfs/dbraw/zinc/07/82/09/416078209.db2.gz ZXABDUVZYNCKKW-UHFFFAOYSA-N 0 0 305.378 0.822 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCC1CCSCC1 ZINC000356942875 416009181 /nfs/dbraw/zinc/00/91/81/416009181.db2.gz CGOQZVIGKLQWLQ-PWSUYJOCSA-N 0 0 300.424 0.475 10 0 DCAERN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1C ZINC000337825008 416013002 /nfs/dbraw/zinc/01/30/02/416013002.db2.gz VHHDLRYBTDROHV-OPRDCNLKSA-N 0 0 317.415 0.039 10 0 DCAERN COCCOCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000164404194 416017247 /nfs/dbraw/zinc/01/72/47/416017247.db2.gz DGBLKLGCPNNMLN-UKRRQHHQSA-N 0 0 300.399 0.986 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000170822876 416033497 /nfs/dbraw/zinc/03/34/97/416033497.db2.gz WVPVLZMKXPQNIF-OIBJUYFYSA-N 0 0 314.338 0.692 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000170994382 416036386 /nfs/dbraw/zinc/03/63/86/416036386.db2.gz NMJGEXRFTCUTKH-UHFFFAOYSA-N 0 0 322.340 0.909 10 0 DCAERN CC(C)(C)n1nccc1NC(=O)C(=O)NC[C@H](O)C(F)(F)F ZINC000357466923 416085582 /nfs/dbraw/zinc/08/55/82/416085582.db2.gz WZFZXBWQJCYDJN-ZETCQYMHSA-N 0 0 322.287 0.616 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCc2ncc[nH]2)[C@@H]1c1cccnc1 ZINC000174755195 416086328 /nfs/dbraw/zinc/08/63/28/416086328.db2.gz MGOFCURQVXGZGN-DOMZBBRYSA-N 0 0 313.361 0.683 10 0 DCAERN CNC(=O)c1cccnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000301545923 416087119 /nfs/dbraw/zinc/08/71/19/416087119.db2.gz DOIMHHNFYVEICJ-JSGCOSHPSA-N 0 0 304.394 0.598 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000174850056 416088872 /nfs/dbraw/zinc/08/88/72/416088872.db2.gz SXPMJZOFYKKZOE-STQMWFEESA-N 0 0 317.455 0.353 10 0 DCAERN Cc1cccc2c1ncnc2N1CCN(S(N)(=O)=O)CC1 ZINC000301664379 416089148 /nfs/dbraw/zinc/08/91/48/416089148.db2.gz KYCPRLDYEUMVFC-UHFFFAOYSA-N 0 0 307.379 0.264 10 0 DCAERN COCC[C@](C)(O)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000174905196 416090694 /nfs/dbraw/zinc/09/06/94/416090694.db2.gz RRLBKJCPWZRODZ-AWEZNQCLSA-N 0 0 314.407 0.902 10 0 DCAERN Cc1noc(-c2ccnc(NC[C@@H]3CN4CCN3CC4)c2)n1 ZINC000301759495 416092353 /nfs/dbraw/zinc/09/23/53/416092353.db2.gz FNQGTUCPPIGESM-CYBMUJFWSA-N 0 0 300.366 0.852 10 0 DCAERN CO[C@H](C)CC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174992076 416092370 /nfs/dbraw/zinc/09/23/70/416092370.db2.gz OCWSQYDYXAYFOM-VXGBXAGGSA-N 0 0 308.382 0.765 10 0 DCAERN Cc1cc(N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)ncn1 ZINC000301767270 416092767 /nfs/dbraw/zinc/09/27/67/416092767.db2.gz BVWSQFCEKKKCFZ-CQSZACIVSA-N 0 0 319.409 0.154 10 0 DCAERN CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174991283 416092779 /nfs/dbraw/zinc/09/27/79/416092779.db2.gz OWSIFVSWLGFYKY-NEPJUHHUSA-N 0 0 308.382 0.765 10 0 DCAERN COCn1nccc1S(=O)(=O)NCCc1ccccc1O ZINC000357538856 416093479 /nfs/dbraw/zinc/09/34/79/416093479.db2.gz BNHAAOJRXYZCRL-UHFFFAOYSA-N 0 0 311.363 0.714 10 0 DCAERN CC(=O)[C@@H](C)SCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000175185436 416099160 /nfs/dbraw/zinc/09/91/60/416099160.db2.gz LMHMBCGWOFNIQT-SNVBAGLBSA-N 0 0 324.406 0.535 10 0 DCAERN COCCC(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000302845042 416100955 /nfs/dbraw/zinc/10/09/55/416100955.db2.gz NOZOQVWKTNZACZ-UHFFFAOYSA-N 0 0 319.409 0.762 10 0 DCAERN O=C(CCOC1CCOCC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000175417339 416105248 /nfs/dbraw/zinc/10/52/48/416105248.db2.gz HRSJPOCBKUZONW-HNNXBMFYSA-N 0 0 312.410 0.552 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@](O)(CO)C1 ZINC000313655828 416108923 /nfs/dbraw/zinc/10/89/23/416108923.db2.gz WZJYARLUMIILLW-LBPRGKRZSA-N 0 0 305.783 0.848 10 0 DCAERN Cc1nccc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000175701993 416112924 /nfs/dbraw/zinc/11/29/24/416112924.db2.gz TTWZOMANBNKPDZ-DOMZBBRYSA-N 0 0 319.409 0.647 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)NC[C@H]1CCn2ccnc2C1 ZINC000328618980 416122717 /nfs/dbraw/zinc/12/27/17/416122717.db2.gz FJSGEWHWFPUYBN-QWHCGFSZSA-N 0 0 313.423 0.934 10 0 DCAERN Cc1cc(NC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1C ZINC000328651881 416125346 /nfs/dbraw/zinc/12/53/46/416125346.db2.gz WDGJGAYCXGEZDM-AWEZNQCLSA-N 0 0 321.425 1.303 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)NC[C@]1(CCO)CCOC1 ZINC000178089756 416156564 /nfs/dbraw/zinc/15/65/64/416156564.db2.gz QOMMKRZULMEUAT-INIZCTEOSA-N 0 0 324.352 0.461 10 0 DCAERN COCC[N@H+](C)CCNC(=O)NCc1nccn1CC(C)C ZINC000176439575 416125961 /nfs/dbraw/zinc/12/59/61/416125961.db2.gz ZAYULVIQXFUFDA-UHFFFAOYSA-N 0 0 311.430 0.917 10 0 DCAERN C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)CN1CCOCC1 ZINC000176537879 416127987 /nfs/dbraw/zinc/12/79/87/416127987.db2.gz QLIRKUWYSWYLBD-STQMWFEESA-N 0 0 322.413 0.381 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCOC(C)C)C1 ZINC000357754409 416128385 /nfs/dbraw/zinc/12/83/85/416128385.db2.gz MDPLPBRKJFJBKO-OLZOCXBDSA-N 0 0 300.399 0.992 10 0 DCAERN CCCc1cc(NC(=O)C(=O)NCc2ccn(C)n2)n(C)n1 ZINC000357767336 416128874 /nfs/dbraw/zinc/12/88/74/416128874.db2.gz SUIACSMPJDTFKW-UHFFFAOYSA-N 0 0 304.354 0.361 10 0 DCAERN OC[C@@H](CNc1cc(NC[C@@H](CO)C2CC2)ncn1)C1CC1 ZINC000357774145 416130908 /nfs/dbraw/zinc/13/09/08/416130908.db2.gz JSBPRZRDJAIAFW-OKILXGFUSA-N 0 0 306.410 1.337 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)c3ncncc3Cl)C2=O)cn1 ZINC000176631377 416131431 /nfs/dbraw/zinc/13/14/31/416131431.db2.gz FJXOYGJBYYBIIB-JTQLQIEISA-N 0 0 320.740 0.399 10 0 DCAERN OC[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)C1CC1 ZINC000357789477 416132524 /nfs/dbraw/zinc/13/25/24/416132524.db2.gz XIDSPERBYVGCSS-MRVPVSSYSA-N 0 0 301.272 1.574 10 0 DCAERN COC(=O)Cc1ccccc1NC(=O)C(=O)NCC(F)F ZINC000176870962 416136587 /nfs/dbraw/zinc/13/65/87/416136587.db2.gz GEEAVDRBFDVUIW-UHFFFAOYSA-N 0 0 300.261 0.722 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1 ZINC000345722908 416138724 /nfs/dbraw/zinc/13/87/24/416138724.db2.gz FWMCLDQIUWTOJZ-LBPRGKRZSA-N 0 0 312.395 0.082 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3ncncc3Cl)CCO2)[nH]1 ZINC000177524339 416147816 /nfs/dbraw/zinc/14/78/16/416147816.db2.gz JEEYDPAJUBMDMB-VIFPVBQESA-N 0 0 308.729 0.770 10 0 DCAERN Cc1cc(C)n(-c2ccc(CS(=O)(=O)C[C@H](O)CO)cc2)n1 ZINC000177673897 416150153 /nfs/dbraw/zinc/15/01/53/416150153.db2.gz PTGDBOAFJASXLZ-OAHLLOKOSA-N 0 0 324.402 0.757 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H](C(N)=O)O1 ZINC000177713686 416150804 /nfs/dbraw/zinc/15/08/04/416150804.db2.gz KBYHFYJSDGOJRE-NOZJJQNGSA-N 0 0 300.318 0.345 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2nccnc2c1)[C@H](C)CO ZINC000177797309 416152937 /nfs/dbraw/zinc/15/29/37/416152937.db2.gz NTIUMKWJGRWTQZ-NXEZZACHSA-N 0 0 302.334 0.701 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N(C)C)c1cn(-c2ccccc2)nn1 ZINC000177871784 416153389 /nfs/dbraw/zinc/15/33/89/416153389.db2.gz IEHKAIFTWRAZPU-LLVKDONJSA-N 0 0 316.365 0.716 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2c(C)c(C)sc2=O)[C@H](C)C1 ZINC000357924945 416154726 /nfs/dbraw/zinc/15/47/26/416154726.db2.gz PDXRBLVYVVDPFT-SECBINFHSA-N 0 0 311.407 0.606 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(-c2ccncc2)on1 ZINC000178651028 416167680 /nfs/dbraw/zinc/16/76/80/416167680.db2.gz XETCULGETMRNMO-CYBMUJFWSA-N 0 0 313.361 0.466 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(C)C ZINC000178690726 416169559 /nfs/dbraw/zinc/16/95/59/416169559.db2.gz KZRQPASFQILZAS-FZMZJTMJSA-N 0 0 311.426 0.958 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(C)C ZINC000178715368 416171035 /nfs/dbraw/zinc/17/10/35/416171035.db2.gz HYFMEWQZADUYQV-STQMWFEESA-N 0 0 304.346 0.655 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NCCc2cn[nH]c2)CC1 ZINC000358013451 416171124 /nfs/dbraw/zinc/17/11/24/416171124.db2.gz WAMFCERAQUQMIO-UHFFFAOYSA-N 0 0 300.384 0.076 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(C)C ZINC000178928349 416177688 /nfs/dbraw/zinc/17/76/88/416177688.db2.gz BGWZIVFXQSOFEB-ZDUSSCGKSA-N 0 0 312.391 0.670 10 0 DCAERN Cc1cc(C)nc(SCC(=O)NC[C@H]2CN3CCN2CC3)n1 ZINC000178969047 416178903 /nfs/dbraw/zinc/17/89/03/416178903.db2.gz SQJIGGOYLLECCL-ZDUSSCGKSA-N 0 0 321.450 0.302 10 0 DCAERN O=S(=O)(NC[C@@]1(O)CCOC1)c1cccc2ncccc21 ZINC000178984606 416179255 /nfs/dbraw/zinc/17/92/55/416179255.db2.gz WBRRMRIMIRUMKE-AWEZNQCLSA-N 0 0 308.359 0.665 10 0 DCAERN CCc1nnc(Cn2nnnc2CNC(=O)OC(C)(C)C)n1C ZINC000179092790 416182382 /nfs/dbraw/zinc/18/23/82/416182382.db2.gz RWHZIXPXSYIPGL-UHFFFAOYSA-N 0 0 322.373 0.437 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)C(C)C ZINC000179127337 416182575 /nfs/dbraw/zinc/18/25/75/416182575.db2.gz OPVSFRAYYWZNQF-HNNXBMFYSA-N 0 0 319.405 0.920 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000179126475 416183145 /nfs/dbraw/zinc/18/31/45/416183145.db2.gz VEVNIXZYIJQNNS-LBPRGKRZSA-N 0 0 305.382 0.364 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179346649 416184745 /nfs/dbraw/zinc/18/47/45/416184745.db2.gz KRCRKYOAOBPZBP-SNVBAGLBSA-N 0 0 305.338 0.397 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179340162 416185055 /nfs/dbraw/zinc/18/50/55/416185055.db2.gz FCGVSGOTEJZIQE-QWRGUYRKSA-N 0 0 312.395 0.683 10 0 DCAERN COC[C@H](CNC(=O)NCC(=O)NC1CCCCC1)OC ZINC000358119426 416195421 /nfs/dbraw/zinc/19/54/21/416195421.db2.gz JXGLHVCUUOPJPX-LBPRGKRZSA-N 0 0 301.387 0.396 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000180322569 416196102 /nfs/dbraw/zinc/19/61/02/416196102.db2.gz BTYHHGBCQGVRRQ-LBPRGKRZSA-N 0 0 304.354 0.623 10 0 DCAERN O=S(=O)([C@@H]1CCN(Cc2csnn2)C1)N1CCCC1 ZINC000180747369 416199603 /nfs/dbraw/zinc/19/96/03/416199603.db2.gz CFTGEJJFWYZSAC-LLVKDONJSA-N 0 0 302.425 0.538 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCO[C@H]2CCC[C@H]21 ZINC000330310712 416200940 /nfs/dbraw/zinc/20/09/40/416200940.db2.gz VEDPQBHKQSIYIJ-SYQHCUMBSA-N 0 0 320.389 0.942 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)N(CC2CC2)CC2CC2)C1 ZINC000358148607 416201891 /nfs/dbraw/zinc/20/18/91/416201891.db2.gz GLEWQFDMVQBNOA-AWEZNQCLSA-N 0 0 309.410 0.082 10 0 DCAERN CCc1ccc(CNC(=O)N2CCO[C@H](C(=O)NC)C2)cc1 ZINC000181594646 416209598 /nfs/dbraw/zinc/20/95/98/416209598.db2.gz RNHZEXVPBXFCGL-AWEZNQCLSA-N 0 0 305.378 0.905 10 0 DCAERN CCCCc1noc([C@H](C)[S@@](=O)CCCS(N)(=O)=O)n1 ZINC000358211892 416211767 /nfs/dbraw/zinc/21/17/67/416211767.db2.gz OTPWXCNTCKGURD-UGZDLDLSSA-N 0 0 323.440 0.901 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)no1 ZINC000182409318 416221468 /nfs/dbraw/zinc/22/14/68/416221468.db2.gz OOGUWEOGKMYEJE-NSHDSACASA-N 0 0 301.306 0.698 10 0 DCAERN COc1cc(C(=O)NC[C@H](CO)C2CC2)ccc1OCC(N)=O ZINC000358328334 416223234 /nfs/dbraw/zinc/22/32/34/416223234.db2.gz XZPUMOXKGUZGON-GFCCVEGCSA-N 0 0 322.361 0.308 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NC[C@@H](CO)C3CC3)n2)cc1 ZINC000358346839 416227147 /nfs/dbraw/zinc/22/71/47/416227147.db2.gz ZIOAIOKNEGOAIV-AWEZNQCLSA-N 0 0 315.377 0.783 10 0 DCAERN CC[C@@](C)(CCO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000182756899 416229421 /nfs/dbraw/zinc/22/94/21/416229421.db2.gz ZMHHSPLAQJZUJB-INIZCTEOSA-N 0 0 319.361 0.357 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CC1 ZINC000341754173 416231213 /nfs/dbraw/zinc/23/12/13/416231213.db2.gz NYJDHXAVZAUPGL-NEXFUWMNSA-N 0 0 324.421 0.897 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCN1c1nccs1 ZINC000178129879 416157701 /nfs/dbraw/zinc/15/77/01/416157701.db2.gz UMLNLLGEZDWAQY-PWSUYJOCSA-N 0 0 320.418 0.991 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NC[C@@H](C)COC)CCO2)[nH]1 ZINC000178141511 416157749 /nfs/dbraw/zinc/15/77/49/416157749.db2.gz JPJOFDBBCHZSLM-MNOVXSKESA-N 0 0 311.386 0.733 10 0 DCAERN O=C(NC[C@@H]1CCC[C@H](O)C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178274956 416161053 /nfs/dbraw/zinc/16/10/53/416161053.db2.gz VECROBMEUXMXSX-WZRBSPASSA-N 0 0 306.366 0.430 10 0 DCAERN CCOc1cc(C(=O)N2CCO[C@@H](C(=O)NC)C2)ccc1C ZINC000183537974 416244984 /nfs/dbraw/zinc/24/49/84/416244984.db2.gz MFRITUYQUYCNAD-CQSZACIVSA-N 0 0 306.362 0.981 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@@H](CO)C1CC1 ZINC000358511199 416247438 /nfs/dbraw/zinc/24/74/38/416247438.db2.gz DXYKQCVRVUHEIS-HNNXBMFYSA-N 0 0 319.405 0.963 10 0 DCAERN COCCCCS(=O)(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000184696613 416252606 /nfs/dbraw/zinc/25/26/06/416252606.db2.gz GMJVAQGAFJYWDB-UHFFFAOYSA-N 0 0 320.455 0.981 10 0 DCAERN C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)CCN1CCO ZINC000188735427 416264770 /nfs/dbraw/zinc/26/47/70/416264770.db2.gz DTPAXGVPQHRLSC-CYBMUJFWSA-N 0 0 313.442 0.454 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C(C)C)N2CCCC2=O)[C@H](C)C1 ZINC000358683389 416268632 /nfs/dbraw/zinc/26/86/32/416268632.db2.gz DQAJNBBSZLAFIO-IUODEOHRSA-N 0 0 309.410 0.713 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(CC(F)(F)F)CC1 ZINC000189968764 416274032 /nfs/dbraw/zinc/27/40/32/416274032.db2.gz ZPVDCYGTLSJFAV-ZJUUUORDSA-N 0 0 316.345 0.674 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)O2)ccc1=O ZINC000190112674 416276833 /nfs/dbraw/zinc/27/68/33/416276833.db2.gz AIICVRYGRYEUSW-LBPRGKRZSA-N 0 0 321.377 0.881 10 0 DCAERN COCCOCCCNC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000359047194 416300702 /nfs/dbraw/zinc/30/07/02/416300702.db2.gz OAADXQHDFLMBIU-LBPRGKRZSA-N 0 0 301.387 0.302 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C)C1 ZINC000359059548 416304845 /nfs/dbraw/zinc/30/48/45/416304845.db2.gz BBUCUQLSYHKHGO-DGCLKSJQSA-N 0 0 324.425 0.648 10 0 DCAERN CC/C=C\CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000342274790 416304932 /nfs/dbraw/zinc/30/49/32/416304932.db2.gz PRAPJABVDKEDDJ-ARJAWSKDSA-N 0 0 317.455 0.537 10 0 DCAERN O=C(NCCCOCCO)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193269852 416315081 /nfs/dbraw/zinc/31/50/81/416315081.db2.gz ODHSCILAJFAGDN-UHFFFAOYSA-N 0 0 305.334 0.622 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C[C@@H](CO)O1 ZINC000193507633 416317285 /nfs/dbraw/zinc/31/72/85/416317285.db2.gz LHSOLBIUODTCIH-GWCFXTLKSA-N 0 0 317.345 0.715 10 0 DCAERN CN1CCCN(C(=O)c2ccc(N3CCCC3)nc2)CC1=O ZINC000190632624 416281692 /nfs/dbraw/zinc/28/16/92/416281692.db2.gz LXRXTVUTXITFCX-UHFFFAOYSA-N 0 0 302.378 0.986 10 0 DCAERN C[C@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)[C@H]1CO ZINC000190598698 416281806 /nfs/dbraw/zinc/28/18/06/416281806.db2.gz LWTOAWWLIVCJAM-WTIISPKJSA-N 0 0 318.439 0.755 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC[C@@H]1Cc3ccccc31)c2=O ZINC000194074366 416321682 /nfs/dbraw/zinc/32/16/82/416321682.db2.gz YAIJABOSXSTDMD-LBPRGKRZSA-N 0 0 323.356 0.586 10 0 DCAERN COC(=O)[C@H](NCC(=O)N(C)CCc1ccccn1)C1CC1 ZINC000358852595 416283754 /nfs/dbraw/zinc/28/37/54/416283754.db2.gz ODKOFJORIZSGPD-OAHLLOKOSA-N 0 0 305.378 0.624 10 0 DCAERN COCC[C@@H](C)NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000358856732 416285743 /nfs/dbraw/zinc/28/57/43/416285743.db2.gz FLZXYAAPVHIDPX-LLVKDONJSA-N 0 0 308.382 0.657 10 0 DCAERN C[C@@H]1CN(C(=O)CCC(=O)OC(C)(C)C)CCS1(=O)=O ZINC000331215854 416288444 /nfs/dbraw/zinc/28/84/44/416288444.db2.gz OQSCCDADJPIHLP-SNVBAGLBSA-N 0 0 305.396 0.754 10 0 DCAERN CCOC[C@@H](NC(=O)Nc1cnn(CC(=O)NC)c1)C(C)C ZINC000191803209 416289583 /nfs/dbraw/zinc/28/95/83/416289583.db2.gz KMCVHARIHJMQFH-GFCCVEGCSA-N 0 0 311.386 0.812 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NCc2cncnc2N)c1 ZINC000359385409 416345109 /nfs/dbraw/zinc/34/51/09/416345109.db2.gz VLHZOURPBDNYJU-UHFFFAOYSA-N 0 0 319.296 0.461 10 0 DCAERN Cn1c(CN2CCC[C@@H](NS(C)(=O)=O)C2)nnc1C1CC1 ZINC000195075100 416325064 /nfs/dbraw/zinc/32/50/64/416325064.db2.gz ULBADNVTYQJWKZ-LLVKDONJSA-N 0 0 313.427 0.206 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)o1 ZINC000195016662 416325147 /nfs/dbraw/zinc/32/51/47/416325147.db2.gz AOLJYEZMXSGHKT-OAHLLOKOSA-N 0 0 305.334 0.965 10 0 DCAERN COCCN(Cc1ccc2c(c1)sc(=O)n2C)[C@H](C)C(N)=O ZINC000195009049 416325175 /nfs/dbraw/zinc/32/51/75/416325175.db2.gz MVRXOKRXHJCYIR-SNVBAGLBSA-N 0 0 323.418 0.922 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000195316569 416326353 /nfs/dbraw/zinc/32/63/53/416326353.db2.gz FJVMENNLHMFYEB-UONOGXRCSA-N 0 0 320.455 0.538 10 0 DCAERN Cn1ccnc1CN1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000195514715 416326399 /nfs/dbraw/zinc/32/63/99/416326399.db2.gz IVOOKWKTBFHBOT-UHFFFAOYSA-N 0 0 313.405 0.837 10 0 DCAERN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1COCCN1 ZINC000237901238 416329258 /nfs/dbraw/zinc/32/92/58/416329258.db2.gz ARJIFGZHEOLPBD-KBPBESRZSA-N 0 0 303.362 0.287 10 0 DCAERN O=C([C@H]1COCCN1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000238010150 416329411 /nfs/dbraw/zinc/32/94/11/416329411.db2.gz HWAVOZVLHRHMRV-HUUCEWRRSA-N 0 0 312.410 0.552 10 0 DCAERN CSc1cnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)nc1 ZINC000239653915 416330114 /nfs/dbraw/zinc/33/01/14/416330114.db2.gz BLPBVTFHAGMINI-JTQLQIEISA-N 0 0 316.452 0.964 10 0 DCAERN CN(Cc1nnnn1C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000360941567 416416676 /nfs/dbraw/zinc/41/66/76/416416676.db2.gz PZOGFYWVOCKZBY-GFCCVEGCSA-N 0 0 304.329 0.587 10 0 DCAERN Cn1ccc(CNC(=O)CSc2nnc3ccccn32)n1 ZINC000360606135 416398782 /nfs/dbraw/zinc/39/87/82/416398782.db2.gz AGACPIFAMBBTJJ-UHFFFAOYSA-N 0 0 302.363 0.871 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)CSc2nnc3ccccn32)C1 ZINC000360618454 416399786 /nfs/dbraw/zinc/39/97/86/416399786.db2.gz XXHLEGIPSZYFBR-VIFPVBQESA-N 0 0 320.378 0.091 10 0 DCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711937 416405192 /nfs/dbraw/zinc/40/51/92/416405192.db2.gz HNKAMXPOGIKSFG-MEBBXXQBSA-N 0 0 304.350 0.902 10 0 DCAERN CCCOCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360806061 416411681 /nfs/dbraw/zinc/41/16/81/416411681.db2.gz LQPDLVDJZDUEQN-LBPRGKRZSA-N 0 0 318.439 0.733 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000532845297 416460957 /nfs/dbraw/zinc/46/09/57/416460957.db2.gz QRZPHYOFOZOJOI-RAIGVLPGSA-N 0 0 320.397 0.699 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000532984256 416465246 /nfs/dbraw/zinc/46/52/46/416465246.db2.gz ANXQCEIQHPRXPO-WDEREUQCSA-N 0 0 312.395 0.315 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)Cn2ccnn2)C12CCC2 ZINC000458452078 416470628 /nfs/dbraw/zinc/47/06/28/416470628.db2.gz WQOZFVVXPKNADP-YNEHKIRRSA-N 0 0 323.397 0.286 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCN1CCC1 ZINC000533107636 416474474 /nfs/dbraw/zinc/47/44/74/416474474.db2.gz XVFFTUZDRGYGAQ-UHFFFAOYSA-N 0 0 315.377 0.987 10 0 DCAERN Cc1cc(C(F)(F)F)nc(N2CCC[C@](O)(C(N)=O)C2)n1 ZINC000583618082 416478272 /nfs/dbraw/zinc/47/82/72/416478272.db2.gz ASPXFYCZVDUKJL-LLVKDONJSA-N 0 0 304.272 0.620 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616286 416478391 /nfs/dbraw/zinc/47/83/91/416478391.db2.gz BRQKWKVBRFKNOL-ZDUSSCGKSA-N 0 0 316.427 0.882 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434672205 416491258 /nfs/dbraw/zinc/49/12/58/416491258.db2.gz LWLBEFPUWXPTNW-QMMMGPOBSA-N 0 0 324.406 0.459 10 0 DCAERN CCN1CCN(C(=O)NC[C@H]2CCOC2)C[C@H]1c1nccn1C ZINC000583622858 416479944 /nfs/dbraw/zinc/47/99/44/416479944.db2.gz FUKXETVXWJSOBR-KGLIPLIRSA-N 0 0 321.425 0.845 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 ZINC000583620997 416480131 /nfs/dbraw/zinc/48/01/31/416480131.db2.gz FNMIHVBGNHBDLK-DOMZBBRYSA-N 0 0 314.349 0.151 10 0 DCAERN Cc1nnccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619551 416480145 /nfs/dbraw/zinc/48/01/45/416480145.db2.gz OUFLZFQYVDUBJF-HIFRSBDPSA-N 0 0 311.345 0.882 10 0 DCAERN CN1C[C@H](NC(=O)CN2CCCC2=O)CC[C@H]1C(F)(F)F ZINC000583620109 416480903 /nfs/dbraw/zinc/48/09/03/416480903.db2.gz ZERFRDUMMPLOIQ-ZJUUUORDSA-N 0 0 307.316 0.750 10 0 DCAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cnns1 ZINC000583622095 416481009 /nfs/dbraw/zinc/48/10/09/416481009.db2.gz LLXSOGLVZMSQEV-QWRGUYRKSA-N 0 0 322.369 0.671 10 0 DCAERN CC(=O)N[C@H]1CCCN(c2nccc(N[C@@H]3CCCOC3)n2)C1 ZINC000583624108 416481082 /nfs/dbraw/zinc/48/10/82/416481082.db2.gz CCBRNSBODWNNEJ-UONOGXRCSA-N 0 0 319.409 1.172 10 0 DCAERN CC(C)OC(=O)CCCNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000361456140 416438899 /nfs/dbraw/zinc/43/88/99/416438899.db2.gz IHSURMVLGITIIM-JTQLQIEISA-N 0 0 300.359 0.170 10 0 DCAERN C/C=C\C[C@@H](NC(=O)CS(=O)(=O)CCC)C(=O)OCC ZINC000361570768 416453603 /nfs/dbraw/zinc/45/36/03/416453603.db2.gz XYONWMSIOGMMOD-MEQVVJDKSA-N 0 0 305.396 0.825 10 0 DCAERN CNC(=O)CCN(C)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361929040 416523338 /nfs/dbraw/zinc/52/33/38/416523338.db2.gz YBQDMUWSPJYQTH-UHFFFAOYSA-N 0 0 309.370 0.077 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000361934296 416525612 /nfs/dbraw/zinc/52/56/12/416525612.db2.gz LUDYBLUJIGATNP-GFCCVEGCSA-N 0 0 314.349 0.920 10 0 DCAERN Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000535713693 416525735 /nfs/dbraw/zinc/52/57/35/416525735.db2.gz ORKJDSYSQVIMEQ-NSHDSACASA-N 0 0 315.333 0.928 10 0 DCAERN CC[C@@H](NC(=O)N1CCN(CC(=O)OC)CC1)C(F)(F)F ZINC000362038172 416548367 /nfs/dbraw/zinc/54/83/67/416548367.db2.gz OYGFSKUBLKGILJ-SECBINFHSA-N 0 0 311.304 0.828 10 0 DCAERN CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000361779180 416493661 /nfs/dbraw/zinc/49/36/61/416493661.db2.gz JPXBJTPDJHVSRJ-CHWSQXEVSA-N 0 0 311.382 0.197 10 0 DCAERN CC[C@H](CO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434825532 416497362 /nfs/dbraw/zinc/49/73/62/416497362.db2.gz CHHIWXGXEWJKBY-SNVBAGLBSA-N 0 0 309.366 1.332 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N3CC[C@H](O)C3)no2)CCCC1 ZINC000434973691 416507636 /nfs/dbraw/zinc/50/76/36/416507636.db2.gz NZKPDGFSZXCPJS-JTQLQIEISA-N 0 0 307.350 1.038 10 0 DCAERN CC(=O)N[C@H](C(=O)NCc1cnc(C)nc1N)C1CCCC1 ZINC000584193934 416508073 /nfs/dbraw/zinc/50/80/73/416508073.db2.gz MLOYZYRFUMVGOS-ZDUSSCGKSA-N 0 0 305.382 0.678 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCOC1 ZINC000361851059 416510351 /nfs/dbraw/zinc/51/03/51/416510351.db2.gz MPNUZSVEVSTNQE-NSHDSACASA-N 0 0 308.382 0.977 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(CC)C[C@@H](C)OC)C1 ZINC000362096386 416561472 /nfs/dbraw/zinc/56/14/72/416561472.db2.gz BPGFXYFTBXVRBB-VXGBXAGGSA-N 0 0 300.403 0.857 10 0 DCAERN Cc1noc(CN2CCN(C(=O)c3ccc(O)cc3O)CC2)n1 ZINC000436621614 416565646 /nfs/dbraw/zinc/56/56/46/416565646.db2.gz BSYQONFWAHXRPD-UHFFFAOYSA-N 0 0 318.333 0.747 10 0 DCAERN CN(CCC[NH+](C)C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000540514927 416591844 /nfs/dbraw/zinc/59/18/44/416591844.db2.gz MEHOBZQPSLDCBD-UHFFFAOYSA-N 0 0 305.338 0.460 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CCSC1 ZINC000366048176 416614791 /nfs/dbraw/zinc/61/47/91/416614791.db2.gz WWWDOJJFSOSFRV-BIAAXOCRSA-N 0 0 315.391 0.203 10 0 DCAERN CNc1nc(C)cc(C(=O)NC[C@@H](CO)c2ccccc2)n1 ZINC000438910108 416604285 /nfs/dbraw/zinc/60/42/85/416604285.db2.gz LIZLKUDMBZYFOM-ZDUSSCGKSA-N 0 0 300.362 1.333 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000364141470 416580485 /nfs/dbraw/zinc/58/04/85/416580485.db2.gz TZHISSIVLGLZRX-LLVKDONJSA-N 0 0 309.366 0.677 10 0 DCAERN CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366134660 416618175 /nfs/dbraw/zinc/61/81/75/416618175.db2.gz ZRQXLDNECALFFY-ABAIWWIYSA-N 0 0 311.382 0.638 10 0 DCAERN O=C(COCCOc1ccccc1)N1CCN2CCOC[C@H]2C1 ZINC000542685231 416628274 /nfs/dbraw/zinc/62/82/74/416628274.db2.gz ZGINDKURKZLXKB-OAHLLOKOSA-N 0 0 320.389 0.625 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ncc(C)s2)[C@H](C)C1 ZINC000440577933 416639919 /nfs/dbraw/zinc/63/99/19/416639919.db2.gz LVZCVWWZUMGOJD-MRVPVSSYSA-N 0 0 310.379 0.469 10 0 DCAERN CCOC(=O)c1cnc(N2CCN3CCOC[C@@H]3C2)nc1C ZINC000543483623 416640005 /nfs/dbraw/zinc/64/00/05/416640005.db2.gz UAYUBTGQJOMAMS-LBPRGKRZSA-N 0 0 306.366 0.483 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543626810 416642556 /nfs/dbraw/zinc/64/25/56/416642556.db2.gz MWBOZKZAZGJFBE-LBPRGKRZSA-N 0 0 306.366 0.242 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CC(=O)N1C ZINC000368524782 416665798 /nfs/dbraw/zinc/66/57/98/416665798.db2.gz BSSDJKZGCAROBN-WDEREUQCSA-N 0 0 308.407 0.801 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCC2CCN(C(C)=O)CC2)C1 ZINC000368539589 416666725 /nfs/dbraw/zinc/66/67/25/416666725.db2.gz RBPXLQYUCQHZIV-MRXNPFEDSA-N 0 0 309.410 0.620 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCN(C(C)C)C2=O)n1 ZINC000441489582 416673509 /nfs/dbraw/zinc/67/35/09/416673509.db2.gz TYRDOPHRJCOUGK-CYBMUJFWSA-N 0 0 320.393 0.941 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@H](NC(C)=O)C2)n1 ZINC000441465835 416673529 /nfs/dbraw/zinc/67/35/29/416673529.db2.gz QNMFLAZBSBIXJT-AWEZNQCLSA-N 0 0 320.393 0.943 10 0 DCAERN C[C@H](C(=O)N1CC(n2ccnn2)C1)n1nnnc1C(C)(C)C ZINC000368605637 416673716 /nfs/dbraw/zinc/67/37/16/416673716.db2.gz UBPWWIQBNGEFJG-SECBINFHSA-N 0 0 304.358 0.207 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1 ZINC000441469822 416673818 /nfs/dbraw/zinc/67/38/18/416673818.db2.gz WGGBIXONVOCWIL-CYBMUJFWSA-N 0 0 320.393 0.941 10 0 DCAERN O=C(N1CC2(CCC2)[C@H]1C1CC1)C1(n2cnnn2)CCOCC1 ZINC000615037537 416743675 /nfs/dbraw/zinc/74/36/75/416743675.db2.gz MMRMGKPKNBKKPS-CYBMUJFWSA-N 0 0 317.393 0.970 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000443263432 416745410 /nfs/dbraw/zinc/74/54/10/416745410.db2.gz BZOUKJQJWRQGSZ-UHFFFAOYSA-N 0 0 303.322 0.047 10 0 DCAERN CN(CC(N)=O)C(=O)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000442410654 416692341 /nfs/dbraw/zinc/69/23/41/416692341.db2.gz NAGIEUGHCRSJJA-ZDUSSCGKSA-N 0 0 313.361 0.542 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc2[nH]c(C)nc21 ZINC000369053987 416718841 /nfs/dbraw/zinc/71/88/41/416718841.db2.gz JJYPLRCWUIGYNO-SCZZXKLOSA-N 0 0 304.306 0.015 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N(C)CCCO)cc1 ZINC000443090919 416730534 /nfs/dbraw/zinc/73/05/34/416730534.db2.gz CTMHPHHTYICRRP-UHFFFAOYSA-N 0 0 300.380 0.672 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557376550 416733038 /nfs/dbraw/zinc/73/30/38/416733038.db2.gz GMSUGQJVUGSWSM-CMPLNLGQSA-N 0 0 304.350 0.796 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000443149464 416734185 /nfs/dbraw/zinc/73/41/85/416734185.db2.gz XTSVPBLRMJMZAD-ZETCQYMHSA-N 0 0 319.301 0.172 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C2CN(CC(F)(F)F)C2)CC1 ZINC000558524078 416774464 /nfs/dbraw/zinc/77/44/64/416774464.db2.gz ZKMLAEUDWGRHSW-UHFFFAOYSA-N 0 0 321.343 0.855 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cnn(C)c1)CC2 ZINC000558631027 416780742 /nfs/dbraw/zinc/78/07/42/416780742.db2.gz JQCQYGKSHXSAGH-JTQLQIEISA-N 0 0 304.354 0.084 10 0 DCAERN COC(=O)Cn1cc(S(=O)(=O)N2CCCC23CCC3)cn1 ZINC000443969440 416792330 /nfs/dbraw/zinc/79/23/30/416792330.db2.gz PKLBVUBTQDMSKY-UHFFFAOYSA-N 0 0 313.379 0.763 10 0 DCAERN Cn1nnc(CNC(=O)Nc2cccc(N3CCOCC3)c2)n1 ZINC000559001490 416798998 /nfs/dbraw/zinc/79/89/98/416798998.db2.gz VSJOZJHTPZJLDL-UHFFFAOYSA-N 0 0 317.353 0.368 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NC(=O)NCCOCC1CCC1 ZINC000517451980 416805429 /nfs/dbraw/zinc/80/54/29/416805429.db2.gz CPSVSGDFEJVLSF-NSHDSACASA-N 0 0 306.428 0.926 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000632054729 416887884 /nfs/dbraw/zinc/88/78/84/416887884.db2.gz GKKRBCWNWJJAJG-SOUVJXGZSA-N 0 0 322.405 0.984 10 0 DCAERN O=C(NCCOCCO)Nc1cccc(N2CCOCC2)c1 ZINC000517966033 416834132 /nfs/dbraw/zinc/83/41/32/416834132.db2.gz RLXBWSWBUUJQHD-UHFFFAOYSA-N 0 0 309.366 0.654 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000615818413 416916133 /nfs/dbraw/zinc/91/61/33/416916133.db2.gz NJZDDSXNJGJTBO-XQLPTFJDSA-N 0 0 324.421 0.755 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2c1cnn2CCO ZINC000632139747 416923979 /nfs/dbraw/zinc/92/39/79/416923979.db2.gz UTQMZKSRVJOKGD-UKRRQHHQSA-N 0 0 320.393 0.380 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)[C@H]3CCS(=O)(=O)C3)cc21 ZINC000520246710 416948924 /nfs/dbraw/zinc/94/89/24/416948924.db2.gz JUQGSSTWBWLJEK-NSHDSACASA-N 0 0 320.370 0.912 10 0 DCAERN CC[C@H](C(=O)N1CCOCC1)N1C(=O)N[C@H](CC2CC2)C1=O ZINC000521959971 417035236 /nfs/dbraw/zinc/03/52/36/417035236.db2.gz MYFAOXOAMJJCKW-VXGBXAGGSA-N 0 0 309.366 0.344 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C[C@](C)(O)C2CC2)C1=O ZINC000520476454 416966338 /nfs/dbraw/zinc/96/63/38/416966338.db2.gz HJVJPGTXRZXIJC-WBMJQRKESA-N 0 0 320.393 0.583 10 0 DCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000522224404 417055938 /nfs/dbraw/zinc/05/59/38/417055938.db2.gz HIVYFTGVSJQUEK-RQJABVFESA-N 0 0 323.455 0.296 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)Cc1cnn2c1CCCC2 ZINC000632393302 417062468 /nfs/dbraw/zinc/06/24/68/417062468.db2.gz LPPVEMMGNULMKY-AWEZNQCLSA-N 0 0 305.378 0.968 10 0 DCAERN CCCCC(=O)O[C@H]1O[C@H]([C@@H](O)CO)[C@H]2OC(C)(C)O[C@@H]12 ZINC000616582416 417081806 /nfs/dbraw/zinc/08/18/06/417081806.db2.gz GBOXGZJXWIPQOH-ODSNKANHSA-N 0 0 304.339 0.318 10 0 DCAERN O=C1[C@@H](Nc2nccn3cnnc23)CCCN1c1cccnc1 ZINC000378653707 417082737 /nfs/dbraw/zinc/08/27/37/417082737.db2.gz UECISLJHYXYVKI-LBPRGKRZSA-N 0 0 309.333 1.127 10 0 DCAERN CC(=O)Nc1cccc([C@@H]2COCCN(S(N)(=O)=O)C2)c1 ZINC000616594384 417083383 /nfs/dbraw/zinc/08/33/83/417083383.db2.gz OTPZGYWUNOMLSJ-LBPRGKRZSA-N 0 0 313.379 0.264 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1COCCCN1S(N)(=O)=O ZINC000616648461 417086510 /nfs/dbraw/zinc/08/65/10/417086510.db2.gz MLCDDVUAJMPYCN-SNVBAGLBSA-N 0 0 323.415 0.196 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616650285 417087978 /nfs/dbraw/zinc/08/79/78/417087978.db2.gz FAVMSRFSRZNTDR-VIFPVBQESA-N 0 0 309.388 0.105 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CCNS(C)(=O)=O)c1 ZINC000524776701 417118935 /nfs/dbraw/zinc/11/89/35/417118935.db2.gz PKWKDHTVYQLQLF-UHFFFAOYSA-N 0 0 313.379 0.547 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1 ZINC000404134920 417119436 /nfs/dbraw/zinc/11/94/36/417119436.db2.gz FODOLBQOXSWMKJ-AWEZNQCLSA-N 0 0 313.375 0.709 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1nscc1Br ZINC000404720466 417120875 /nfs/dbraw/zinc/12/08/75/417120875.db2.gz DEHDDNFTFOQTOB-VIFPVBQESA-N 0 0 307.169 0.787 10 0 DCAERN CN(C1CCCCC1)S(=O)(=O)N1CC(=O)NCC1(C)C ZINC000407953516 417127637 /nfs/dbraw/zinc/12/76/37/417127637.db2.gz DCPHWUZZTQJACX-UHFFFAOYSA-N 0 0 303.428 0.706 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCC[C@](O)(C(F)(F)F)C2)C1=O ZINC000407951463 417128755 /nfs/dbraw/zinc/12/87/55/417128755.db2.gz ZIWJAKKVQLKYBR-GFCCVEGCSA-N 0 0 323.315 0.706 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000407989232 417130845 /nfs/dbraw/zinc/13/08/45/417130845.db2.gz GLOJQDBDYKNDRG-SOUVJXGZSA-N 0 0 323.437 0.709 10 0 DCAERN CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)S(C)(=O)=O ZINC000408031288 417133073 /nfs/dbraw/zinc/13/30/73/417133073.db2.gz LYSNNKSJKVTDAP-WCQYABFASA-N 0 0 300.428 0.694 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000408000280 417134436 /nfs/dbraw/zinc/13/44/36/417134436.db2.gz ZEDQIBURTHRSBO-BZUAXINKSA-N 0 0 323.437 0.757 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000408183946 417145053 /nfs/dbraw/zinc/14/50/53/417145053.db2.gz VMMIJDBFKPATCQ-CHWSQXEVSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCS1(=O)=O ZINC000408196842 417146834 /nfs/dbraw/zinc/14/68/34/417146834.db2.gz CSJSMBBYANWJQA-MNOVXSKESA-N 0 0 316.423 0.279 10 0 DCAERN COC[C@](C)(O)CNC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000525777226 417150424 /nfs/dbraw/zinc/15/04/24/417150424.db2.gz ROEVNNBVOGLGPQ-MRXNPFEDSA-N 0 0 317.345 0.976 10 0 DCAERN O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408485217 417163071 /nfs/dbraw/zinc/16/30/71/417163071.db2.gz PUWFCQWIGHQYLI-NEPJUHHUSA-N 0 0 302.396 0.096 10 0 DCAERN c1cc(CN2CCN(c3nccnn3)CC2)c2c(c1)OCCO2 ZINC000625637939 417151373 /nfs/dbraw/zinc/15/13/73/417151373.db2.gz ZOXBXUJZNWJXQW-UHFFFAOYSA-N 0 0 313.361 0.965 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](O)C(C)(C)C2)cccc1S(N)(=O)=O ZINC000408265904 417152083 /nfs/dbraw/zinc/15/20/83/417152083.db2.gz NFJSPDVBWUKFJL-GFCCVEGCSA-N 0 0 312.391 0.485 10 0 DCAERN CC[C@@]1(C)CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000408268106 417152110 /nfs/dbraw/zinc/15/21/10/417152110.db2.gz JHWOVASZADLYTL-SCRDCRAPSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CSCN2C(C)=O)C[C@@H]1C ZINC000408321701 417153079 /nfs/dbraw/zinc/15/30/79/417153079.db2.gz RUUKZLDKYWNAHP-MVWJERBFSA-N 0 0 314.407 0.565 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525808620 417154501 /nfs/dbraw/zinc/15/45/01/417154501.db2.gz RNWZCDQZZSRZKJ-CZUORRHYSA-N 0 0 324.425 0.019 10 0 DCAERN O=S1(=O)CC[C@H](CN2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408400096 417157765 /nfs/dbraw/zinc/15/77/65/417157765.db2.gz OMZWAHPIDFBQCA-NXEZZACHSA-N 0 0 301.330 0.810 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O ZINC000526015804 417171849 /nfs/dbraw/zinc/17/18/49/417171849.db2.gz ZIOQAKTZXKCACR-VXGBXAGGSA-N 0 0 307.394 0.515 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C)C[C@@H]1CO ZINC000632577901 417179335 /nfs/dbraw/zinc/17/93/35/417179335.db2.gz ZUCDWQHAGGOSCK-LLVKDONJSA-N 0 0 318.826 0.945 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000617267528 417191911 /nfs/dbraw/zinc/19/19/11/417191911.db2.gz PQTQEHZBDNMZRB-KBPBESRZSA-N 0 0 305.382 0.385 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC(=O)N1C ZINC000282077883 296916134 /nfs/dbraw/zinc/91/61/34/296916134.db2.gz CHEBIKNADKTXSQ-SECBINFHSA-N 0 0 317.345 0.609 10 0 DCAERN COCCn1ccc(=NC(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)[nH]1 ZINC000527072754 417208806 /nfs/dbraw/zinc/20/88/06/417208806.db2.gz HJGLTCKAPZQGKG-NSHDSACASA-N 0 0 320.353 0.592 10 0 DCAERN CC[C@]1(O)CCCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000632666003 417218179 /nfs/dbraw/zinc/21/81/79/417218179.db2.gz JNMPLTHGTMPYHB-AVGNSLFASA-N 0 0 306.428 0.577 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)CCO1 ZINC000569283767 417234238 /nfs/dbraw/zinc/23/42/38/417234238.db2.gz OHLWYPITZJSAMY-ZIAGYGMSSA-N 0 0 324.421 0.945 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2cncc(C(=O)OC)n2)CC12COC2 ZINC000450557213 417238348 /nfs/dbraw/zinc/23/83/48/417238348.db2.gz BPZOBKCKOPRFHK-JTQLQIEISA-N 0 0 321.333 0.279 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H]1C(F)F ZINC000633255115 417394819 /nfs/dbraw/zinc/39/48/19/417394819.db2.gz CHLHVAFRCFETSS-VIFPVBQESA-N 0 0 319.352 0.662 10 0 DCAERN CO[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1c1cn[nH]n1 ZINC000622168897 417411055 /nfs/dbraw/zinc/41/10/55/417411055.db2.gz SZSSXBKCAPPMPA-CMPLNLGQSA-N 0 0 324.772 0.686 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000633360577 417416696 /nfs/dbraw/zinc/41/66/96/417416696.db2.gz UWCQMDUXFUOLFF-XQQFMLRXSA-N 0 0 314.407 0.175 10 0 DCAERN CCOc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)on1 ZINC000622329414 417429268 /nfs/dbraw/zinc/42/92/68/417429268.db2.gz LHMTXYQHOTVPKO-JTQLQIEISA-N 0 0 308.338 0.703 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[C@H]3CCCN3C(C)=O)[C@H]2C1 ZINC000633113937 417369049 /nfs/dbraw/zinc/36/90/49/417369049.db2.gz SGKQVOIOGFCZGN-CAOSSQGBSA-N 0 0 321.421 0.761 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000633148502 417378513 /nfs/dbraw/zinc/37/85/13/417378513.db2.gz TUHIQKIOKISLGV-NHCYSSNCSA-N 0 0 302.396 0.031 10 0 DCAERN Cc1cccc(OCCC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000633584951 417456828 /nfs/dbraw/zinc/45/68/28/417456828.db2.gz PJWTWVCFTGDMMG-HUUCEWRRSA-N 0 0 316.361 0.800 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(C)(F)F ZINC000627561835 417459895 /nfs/dbraw/zinc/45/98/95/417459895.db2.gz XQLNFIPWTLQQFL-UHFFFAOYSA-N 0 0 321.368 0.957 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C2CC(OCC)C2)CC12COC2 ZINC000452218315 417460362 /nfs/dbraw/zinc/46/03/62/417460362.db2.gz GBGJPBHZNNMNCI-WXRRBKDZSA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCc2cnn(C)c2)CC12COC2 ZINC000452260541 417462720 /nfs/dbraw/zinc/46/27/20/417462720.db2.gz KTMDEBOLHZUUQJ-CYBMUJFWSA-N 0 0 321.377 0.391 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cncs2)CC12COC2 ZINC000452264547 417463132 /nfs/dbraw/zinc/46/31/32/417463132.db2.gz OOHFJZSFLNMJKV-NSHDSACASA-N 0 0 310.375 0.724 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CC12COC2 ZINC000452269646 417465019 /nfs/dbraw/zinc/46/50/19/417465019.db2.gz YDDGLXXAWDSZEZ-GFCCVEGCSA-N 0 0 319.361 0.939 10 0 DCAERN O=C(NC[C@H](O)C(F)F)c1cccc(CNc2ccncn2)c1 ZINC000574366926 417483733 /nfs/dbraw/zinc/48/37/33/417483733.db2.gz ZVNQMVKVQGRWKX-LBPRGKRZSA-N 0 0 322.315 1.445 10 0 DCAERN CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)C(=O)NC ZINC000454079722 417545111 /nfs/dbraw/zinc/54/51/11/417545111.db2.gz DHEQIQAUHYFBFB-NSHDSACASA-N 0 0 319.361 0.591 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(C)nn2C)CC12COC2 ZINC000454248318 417555217 /nfs/dbraw/zinc/55/52/17/417555217.db2.gz SFUSKLVFCKYOIF-NSHDSACASA-N 0 0 322.365 0.772 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H](F)C1 ZINC000628012281 417555445 /nfs/dbraw/zinc/55/54/45/417555445.db2.gz GIZPNCLHAAQKGN-LLVKDONJSA-N 0 0 315.389 0.756 10 0 DCAERN CC(=O)OC[C@@H]1O[C@H](F)[C@@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000575125191 417513192 /nfs/dbraw/zinc/51/31/92/417513192.db2.gz OZIWIFNLCSFOGJ-HGCLJGPKSA-N 0 0 310.249 0.445 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccn(C)n2)CC12COC2 ZINC000454737886 417577500 /nfs/dbraw/zinc/57/75/00/417577500.db2.gz MJQSWQHYGOSIEY-LBPRGKRZSA-N 0 0 322.365 0.141 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCN(Cc3nc(C)no3)CC2)C1 ZINC000530513583 417580595 /nfs/dbraw/zinc/58/05/95/417580595.db2.gz HCLHPPDAZPGBKY-CHWSQXEVSA-N 0 0 323.397 0.773 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000454966377 417587217 /nfs/dbraw/zinc/58/72/17/417587217.db2.gz JBFYSOWISSWXQA-IJLUTSLNSA-N 0 0 300.403 0.855 10 0 DCAERN Cn1cc(O[C@@H]2CN(C(=O)COCC3CCCC3)C[C@H]2O)cn1 ZINC000628263022 417599786 /nfs/dbraw/zinc/59/97/86/417599786.db2.gz IHPDSOKJECQCPP-HUUCEWRRSA-N 0 0 323.393 0.577 10 0 DCAERN Cn1cnc(CCNC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000531032262 417602997 /nfs/dbraw/zinc/60/29/97/417602997.db2.gz RXJVCGWICATTDU-UHFFFAOYSA-N 0 0 314.393 0.889 10 0 DCAERN CC(=O)N(C)CC(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000628278529 417603292 /nfs/dbraw/zinc/60/32/92/417603292.db2.gz UTABKQOFFRIMFD-NWDGAFQWSA-N 0 0 322.365 0.762 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)N(C)Cc1nnnn1C ZINC000455700496 417613733 /nfs/dbraw/zinc/61/37/33/417613733.db2.gz HKOYHOGVUVWULD-UHFFFAOYSA-N 0 0 305.342 0.976 10 0 DCAERN O=C(CCn1ccnn1)NCc1cccc(N2CCOCC2)n1 ZINC000530334404 417569313 /nfs/dbraw/zinc/56/93/13/417569313.db2.gz HGVXCYUGFUGRIX-UHFFFAOYSA-N 0 0 316.365 0.216 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)N2CCC[C@H]2C)C1 ZINC000530433368 417574745 /nfs/dbraw/zinc/57/47/45/417574745.db2.gz TXNYVQWCXPQWDB-DGCLKSJQSA-N 0 0 303.428 0.564 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](OC)[C@H](C)C2)C1 ZINC000454680326 417575920 /nfs/dbraw/zinc/57/59/20/417575920.db2.gz OLMSHDCNCLFLAM-FRRDWIJNSA-N 0 0 312.414 0.857 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(CCCCO)C2CC2)cn1 ZINC000440188859 287394045 /nfs/dbraw/zinc/39/40/45/287394045.db2.gz PVNKODOBXPRIFG-UHFFFAOYSA-N 0 0 320.393 0.850 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2ccc3c(n2)CCC3)CC1 ZINC000455881152 417618746 /nfs/dbraw/zinc/61/87/46/417618746.db2.gz ALVBCHIHEAHXAI-UHFFFAOYSA-N 0 0 318.377 0.893 10 0 DCAERN CC(=O)N1CCN(CCc2nnnn2-c2ccccc2)[C@H](C)C1 ZINC000531658421 417631314 /nfs/dbraw/zinc/63/13/14/417631314.db2.gz VHEKWAJQSDQGLH-CYBMUJFWSA-N 0 0 314.393 0.757 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3C[C@H](C(N)=O)C3)ccc21 ZINC000628782561 417692636 /nfs/dbraw/zinc/69/26/36/417692636.db2.gz RNXPZFZMBVODMJ-JOCQHMNTSA-N 0 0 301.346 0.589 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000456733100 417661526 /nfs/dbraw/zinc/66/15/26/417661526.db2.gz KYGJUBPGQSZWJN-SNVBAGLBSA-N 0 0 309.332 0.807 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC000577162699 417669311 /nfs/dbraw/zinc/66/93/11/417669311.db2.gz MIAXZWQNIMFVMJ-AXFHLTTASA-N 0 0 324.381 0.096 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1nnnn1C)CO2 ZINC000532429326 417678188 /nfs/dbraw/zinc/67/81/88/417678188.db2.gz YAQRJTKOJHTAJI-LLVKDONJSA-N 0 0 302.338 0.794 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)N1CCC(NS(N)(=O)=O)CC1 ZINC000629186682 417756775 /nfs/dbraw/zinc/75/67/75/417756775.db2.gz AYFARUNPZOHRNF-UHFFFAOYSA-N 0 0 319.427 0.166 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000629234961 417764121 /nfs/dbraw/zinc/76/41/21/417764121.db2.gz HSLMPYJQEIUNAI-AAEUAGOBSA-N 0 0 306.293 0.959 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(C)o1 ZINC000580686209 417721552 /nfs/dbraw/zinc/72/15/52/417721552.db2.gz NVTIUDDYLZNXEF-GHMZBOCLSA-N 0 0 310.350 0.703 10 0 DCAERN CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458124827 417722974 /nfs/dbraw/zinc/72/29/74/417722974.db2.gz AQLXBABGADLLAE-DZGCQCFKSA-N 0 0 318.377 0.921 10 0 DCAERN CC(C)(C)CCC1(O)CC(C(=O)NC[C@@H](O)Cn2ccnn2)C1 ZINC000458123845 417723141 /nfs/dbraw/zinc/72/31/41/417723141.db2.gz AADSPIYXKIXFMH-MFOWVQHXSA-N 0 0 324.425 0.723 10 0 DCAERN Cc1cccc(CSCC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458122948 417723679 /nfs/dbraw/zinc/72/36/79/417723679.db2.gz HRZXXKNBRPLARX-CQSZACIVSA-N 0 0 320.418 0.997 10 0 DCAERN O=C(CCn1ccc2ccccc21)NC[C@H](O)Cn1ccnn1 ZINC000458123917 417723886 /nfs/dbraw/zinc/72/38/86/417723886.db2.gz AEXFWARSXJHASG-AWEZNQCLSA-N 0 0 313.361 0.800 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458135646 417724121 /nfs/dbraw/zinc/72/41/21/417724121.db2.gz KESASSNAKZNGTD-GHMZBOCLSA-N 0 0 324.768 0.876 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458138092 417725774 /nfs/dbraw/zinc/72/57/74/417725774.db2.gz MCMYKFYPHHVSKH-PWSUYJOCSA-N 0 0 324.768 0.876 10 0 DCAERN NS(=O)(=O)c1ccc(OCCOC2CCOCC2)cc1 ZINC000629133475 417746370 /nfs/dbraw/zinc/74/63/70/417746370.db2.gz FSYMOLNOAKJRQS-UHFFFAOYSA-N 0 0 301.364 0.908 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC000187235305 287435672 /nfs/dbraw/zinc/43/56/72/287435672.db2.gz JVPHBDDEBCLOFG-CYBMUJFWSA-N 0 0 306.428 0.279 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H](CO)c2ccc(Cl)cc2)nn1 ZINC000450463912 287451542 /nfs/dbraw/zinc/45/15/42/287451542.db2.gz UABFFVOZVJNPJY-ZDUSSCGKSA-N 0 0 322.752 0.984 10 0 DCAERN COc1ccc(C(=O)C[C@@H](C)C(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000450448899 287450803 /nfs/dbraw/zinc/45/08/03/287450803.db2.gz CLNMTOWROIHSDP-ZYHUDNBSSA-N 0 0 304.346 0.909 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H](C)[S@]1=O ZINC000330137968 296933199 /nfs/dbraw/zinc/93/31/99/296933199.db2.gz IDBCVKIROIANHX-KVMNZBFOSA-N 0 0 306.391 0.950 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N(CCO)C1CCSCC1 ZINC000452024986 287472230 /nfs/dbraw/zinc/47/22/30/287472230.db2.gz ZZXHIJNBBPQQLS-LLVKDONJSA-N 0 0 308.469 0.905 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cn1 ZINC000182165366 545904169 /nfs/dbraw/zinc/90/41/69/545904169.db2.gz BSRFQJNUDLAJIB-NSHDSACASA-N 0 0 317.798 0.775 10 0 DCAERN Cn1cc([C@@H](NC(=O)c2ccc(=O)n(C)n2)C(F)(F)F)cn1 ZINC000487732408 287540342 /nfs/dbraw/zinc/54/03/42/287540342.db2.gz ROVVZXDHRZVKPF-SNVBAGLBSA-N 0 0 315.255 0.547 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@]1(C)CCCOC1 ZINC000488169116 287547153 /nfs/dbraw/zinc/54/71/53/287547153.db2.gz YSZGUPYJGQWIST-JRPNMDOOSA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(C)nc1 ZINC000488251101 287547490 /nfs/dbraw/zinc/54/74/90/287547490.db2.gz LTTSAIAWPXBMFG-NEPJUHHUSA-N 0 0 321.377 0.505 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(O)cc1 ZINC000488261434 287547748 /nfs/dbraw/zinc/54/77/48/287547748.db2.gz XGFGCIURASBYIU-GHMZBOCLSA-N 0 0 322.361 0.507 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnc(C)nc1 ZINC000488293222 287548430 /nfs/dbraw/zinc/54/84/30/287548430.db2.gz JIOXBZNSCMKRHE-DTWKUNHWSA-N 0 0 323.353 0.363 10 0 DCAERN COC[C@@H](CCO)NC(=O)NCCCc1nnc2ccccn21 ZINC000489504919 287554261 /nfs/dbraw/zinc/55/42/61/287554261.db2.gz ZGPMHFRIIMEFKH-GFCCVEGCSA-N 0 0 321.381 0.359 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)[C@@H]3CCCS3)C2)n1 ZINC000299738725 229372924 /nfs/dbraw/zinc/37/29/24/229372924.db2.gz FPSJUIAOLMUXEH-UWVGGRQHSA-N 0 0 309.395 0.436 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(C(=O)c3ccoc3C)CC[C@@H]21 ZINC000299746551 229389088 /nfs/dbraw/zinc/38/90/88/229389088.db2.gz YCVUMAYSMPQQFQ-OLZOCXBDSA-N 0 0 307.350 0.843 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000364269583 287636174 /nfs/dbraw/zinc/63/61/74/287636174.db2.gz MFSCUQXSIMRDJG-GFCCVEGCSA-N 0 0 318.377 0.269 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)n1 ZINC000150740196 261109500 /nfs/dbraw/zinc/10/95/00/261109500.db2.gz SIOLAJIIVYTELE-NWDGAFQWSA-N 0 0 306.366 0.701 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000179248338 261111866 /nfs/dbraw/zinc/11/18/66/261111866.db2.gz XXCYTQZHAKXOHT-MNOVXSKESA-N 0 0 314.411 0.786 10 0 DCAERN NC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cn1 ZINC000179764900 261114109 /nfs/dbraw/zinc/11/41/09/261114109.db2.gz UBRVWDAAZINDGL-UHFFFAOYSA-N 0 0 309.289 0.409 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCC(=O)NCC3CC3)s2)cn1 ZINC000183506859 261116651 /nfs/dbraw/zinc/11/66/51/261116651.db2.gz DCFMEEUXOFXZDN-UHFFFAOYSA-N 0 0 319.390 0.800 10 0 DCAERN CS(=O)(=O)N1CC(CNC(=O)NCCc2ccsc2)C1 ZINC000186162427 261121104 /nfs/dbraw/zinc/12/11/04/261121104.db2.gz AJOBKXNPFKMUCR-UHFFFAOYSA-N 0 0 317.436 0.481 10 0 DCAERN O=C(N[C@H](CO)Cc1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000187185721 261122558 /nfs/dbraw/zinc/12/25/58/261122558.db2.gz VFNDKQNWLMFUNE-LBPRGKRZSA-N 0 0 324.340 0.652 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCN1CCO ZINC000187259354 261123150 /nfs/dbraw/zinc/12/31/50/261123150.db2.gz VTNMSMITKCZYIE-LBPRGKRZSA-N 0 0 323.368 0.081 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@@H](CO)Cc1ccccc1C)C(C)C ZINC000188366525 261126799 /nfs/dbraw/zinc/12/67/99/261126799.db2.gz VODJSBQONINGGA-HUUCEWRRSA-N 0 0 321.421 0.968 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)c1cn2ccnc2s1 ZINC000188392895 261127112 /nfs/dbraw/zinc/12/71/12/261127112.db2.gz IYSLIGLXNBITQX-UHFFFAOYSA-N 0 0 316.408 0.453 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000188438355 261127965 /nfs/dbraw/zinc/12/79/65/261127965.db2.gz GHGRBDXBIXNWSX-MRVPVSSYSA-N 0 0 316.404 0.454 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)N3CC(NC(C)=O)C3)cc12 ZINC000188555254 261128273 /nfs/dbraw/zinc/12/82/73/261128273.db2.gz GLNHVIQBVJRJPI-UHFFFAOYSA-N 0 0 324.362 0.294 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC(NC(C)=O)C2)c(C)c1 ZINC000188560835 261128864 /nfs/dbraw/zinc/12/88/64/261128864.db2.gz YWZGVGSQMZHRHG-UHFFFAOYSA-N 0 0 312.391 0.903 10 0 DCAERN CC[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1CC(F)F ZINC000188625415 261129770 /nfs/dbraw/zinc/12/97/70/261129770.db2.gz HQPTVJSVEKLGNA-GFCCVEGCSA-N 0 0 303.353 0.653 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000188752412 261130802 /nfs/dbraw/zinc/13/08/02/261130802.db2.gz DODZFFRHIWKXMB-TUAOUCFPSA-N 0 0 306.428 0.888 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CC(NC(C)=O)C1)c1ccc(C)cc1 ZINC000190521603 261134495 /nfs/dbraw/zinc/13/44/95/261134495.db2.gz HLIHQASGDNOZHT-MRXNPFEDSA-N 0 0 317.389 0.909 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)NCCCCN1CCOCC1 ZINC000193254954 261140486 /nfs/dbraw/zinc/14/04/86/261140486.db2.gz CVBLMDSVIUVFEI-UHFFFAOYSA-N 0 0 322.409 0.448 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)C(=O)c3ccccc3)CCO2)[nH]1 ZINC000194361346 261146127 /nfs/dbraw/zinc/14/61/27/261146127.db2.gz FAFDNQKUZFYGPW-GFCCVEGCSA-N 0 0 300.318 0.896 10 0 DCAERN C[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)C(=O)NC(C)(C)C ZINC000194647537 261146888 /nfs/dbraw/zinc/14/68/88/261146888.db2.gz GGTOAGOSDZQQRX-SNVBAGLBSA-N 0 0 318.377 0.749 10 0 DCAERN Cn1nnnc1SCCC(=O)N[C@H]1COc2ccccc21 ZINC000194853999 261148709 /nfs/dbraw/zinc/14/87/09/261148709.db2.gz VRPHAYMXTFUTMK-JTQLQIEISA-N 0 0 305.363 0.942 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)C[C@H](C)O1 ZINC000221248432 261151920 /nfs/dbraw/zinc/15/19/20/261151920.db2.gz YNSWNQJQRZFOAM-TXEJJXNPSA-N 0 0 308.444 0.729 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000228583397 261154016 /nfs/dbraw/zinc/15/40/16/261154016.db2.gz NAPNQTHMZZGVFK-OUAUKWLOSA-N 0 0 312.457 0.044 10 0 DCAERN C[C@@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000228551995 261154070 /nfs/dbraw/zinc/15/40/70/261154070.db2.gz JLNZSBAQQXIPLF-GRYCIOLGSA-N 0 0 306.428 0.433 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000234561460 261155156 /nfs/dbraw/zinc/15/51/56/261155156.db2.gz PCADSDMLZJTRPL-WYUUTHIRSA-N 0 0 305.396 0.361 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@](O)(C(N)=O)C2)c1C(C)C ZINC000355076674 261304375 /nfs/dbraw/zinc/30/43/75/261304375.db2.gz XWMPJGBGJOBUEX-INIZCTEOSA-N 0 0 321.377 0.711 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1CCSCC1 ZINC000356942877 261485891 /nfs/dbraw/zinc/48/58/91/261485891.db2.gz CGOQZVIGKLQWLQ-ZYHUDNBSSA-N 0 0 300.424 0.475 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)o2)[C@@H](C)C1 ZINC000357627376 261563371 /nfs/dbraw/zinc/56/33/71/261563371.db2.gz BKNJKVPPDSNNII-VIFPVBQESA-N 0 0 308.338 0.141 10 0 DCAERN O=C(CNC(=O)N[C@H](CO)C1CCCC1)NCC(F)(F)F ZINC000357822835 261589489 /nfs/dbraw/zinc/58/94/89/261589489.db2.gz ZVIUWEONLUBGRE-SECBINFHSA-N 0 0 311.304 0.515 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000357933630 261602848 /nfs/dbraw/zinc/60/28/48/261602848.db2.gz UXBCGJVGRXRBCO-SNVBAGLBSA-N 0 0 305.334 0.561 10 0 DCAERN NC(=O)c1ccc(OCCC(=O)NC[C@H](CO)C2CC2)cc1 ZINC000358300095 261656990 /nfs/dbraw/zinc/65/69/90/261656990.db2.gz HFGBZYDLFMBXOE-CYBMUJFWSA-N 0 0 306.362 0.689 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000358332994 261658803 /nfs/dbraw/zinc/65/88/03/261658803.db2.gz FCQMMEUHOVREQN-CYBMUJFWSA-N 0 0 313.357 0.981 10 0 DCAERN O=C(Nc1cccnc1-n1cncn1)N1CC(n2ccnn2)C1 ZINC000358466591 261672167 /nfs/dbraw/zinc/67/21/67/261672167.db2.gz XXBRXSUYGIQWJV-UHFFFAOYSA-N 0 0 311.309 0.343 10 0 DCAERN COCCn1cc(C(=O)N2CCSC[C@@H]2CCO)c(C)n1 ZINC000360527588 261841613 /nfs/dbraw/zinc/84/16/13/261841613.db2.gz JRFWJJKDEAACEY-LBPRGKRZSA-N 0 0 313.423 0.778 10 0 DCAERN C[C@@]1(C(N)=O)CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360716993 261866326 /nfs/dbraw/zinc/86/63/26/261866326.db2.gz XVQXAVPAFDCDOX-OAHLLOKOSA-N 0 0 301.350 0.970 10 0 DCAERN CCO[C@H](C)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360798334 261877081 /nfs/dbraw/zinc/87/70/81/261877081.db2.gz CDLCONXMAQBNQZ-NEPJUHHUSA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)OC(=O)CCCNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000361456141 261927951 /nfs/dbraw/zinc/92/79/51/261927951.db2.gz IHSURMVLGITIIM-SNVBAGLBSA-N 0 0 300.359 0.170 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)s1 ZINC000362211333 262009684 /nfs/dbraw/zinc/00/96/84/262009684.db2.gz CJFRKXSIEYVXEU-MRVPVSSYSA-N 0 0 312.395 0.545 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)c2nnn(C)c2C)no1 ZINC000362313170 262021969 /nfs/dbraw/zinc/02/19/69/262021969.db2.gz LCGUSVDYMVXLOG-UHFFFAOYSA-N 0 0 307.310 0.563 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C)CS(C)(=O)=O)cc1 ZINC000362441532 262035776 /nfs/dbraw/zinc/03/57/76/262035776.db2.gz RYRRLIOMAFZVFC-SNVBAGLBSA-N 0 0 312.391 0.832 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000362477387 262039307 /nfs/dbraw/zinc/03/93/07/262039307.db2.gz UBDLNJNLHFAXGV-IACUBPJLSA-N 0 0 317.389 0.965 10 0 DCAERN NC(=O)c1ccc(CC(=O)NCC(=O)NC2CCCCC2)cc1 ZINC000362555019 262046652 /nfs/dbraw/zinc/04/66/52/262046652.db2.gz DPXAHBURWOQTHE-UHFFFAOYSA-N 0 0 317.389 0.893 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC000362644552 262055379 /nfs/dbraw/zinc/05/53/79/262055379.db2.gz SKJIYXDSAYPTAS-SNVBAGLBSA-N 0 0 307.741 0.998 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2[nH]ccc21 ZINC000362661113 262057200 /nfs/dbraw/zinc/05/72/00/262057200.db2.gz BVPXTMDYAVEXLJ-IUCAKERBSA-N 0 0 305.338 0.826 10 0 DCAERN CNC(=O)CCN(C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362817547 262075491 /nfs/dbraw/zinc/07/54/91/262075491.db2.gz MGJSAAPIFBPXIS-GFCCVEGCSA-N 0 0 321.377 0.994 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1noc(C)n1 ZINC000363121100 262100653 /nfs/dbraw/zinc/10/06/53/262100653.db2.gz XQFUQNFIGXDFCL-AWEZNQCLSA-N 0 0 314.345 0.968 10 0 DCAERN CCS(=O)(=O)NCCN1CCC(c2nccc(C)n2)CC1 ZINC000363790785 262130090 /nfs/dbraw/zinc/13/00/90/262130090.db2.gz GOZGGLHDRFUCMG-UHFFFAOYSA-N 0 0 312.439 0.904 10 0 DCAERN COc1ccc(C)cc1NC(=O)CN1CCN2CCOC[C@H]2C1 ZINC000363801054 262131144 /nfs/dbraw/zinc/13/11/44/262131144.db2.gz RURZYRJCSIWZQP-CQSZACIVSA-N 0 0 319.405 0.959 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CCN2CCOC[C@H]2C1 ZINC000363811606 262132570 /nfs/dbraw/zinc/13/25/70/262132570.db2.gz CFDBTSULGLFJBC-CYBMUJFWSA-N 0 0 314.345 0.893 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C)nc1C ZINC000392903211 262161007 /nfs/dbraw/zinc/16/10/07/262161007.db2.gz PPSNUFYRVZDSPV-WCBMZHEXSA-N 0 0 300.384 0.157 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C2)CCN1Cc1ccccc1 ZINC000396418884 262163624 /nfs/dbraw/zinc/16/36/24/262163624.db2.gz YFYUDIBIRPAVQP-HIFRSBDPSA-N 0 0 301.390 0.855 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)CC1CCOCC1 ZINC000173042623 533686583 /nfs/dbraw/zinc/68/65/83/533686583.db2.gz KAZZJMSZZXCECX-CMPLNLGQSA-N 0 0 304.412 0.329 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)NC[C@H](CO)C3CC3)cnc12 ZINC000358321595 271049287 /nfs/dbraw/zinc/04/92/87/271049287.db2.gz PSWNLIPGTMCLMO-CYBMUJFWSA-N 0 0 315.373 0.840 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)NC[C@@H](CO)C3CC3)cnc12 ZINC000358321597 271049698 /nfs/dbraw/zinc/04/96/98/271049698.db2.gz PSWNLIPGTMCLMO-ZDUSSCGKSA-N 0 0 315.373 0.840 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1NC(=O)NC[C@H](CO)C1CC1 ZINC000359153338 271100805 /nfs/dbraw/zinc/10/08/05/271100805.db2.gz YETVCMOZJXMSQH-HZSPNIEDSA-N 0 0 316.398 0.125 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)NCCc2cccc(OC)n2)CCO1 ZINC000359237812 271110761 /nfs/dbraw/zinc/11/07/61/271110761.db2.gz MQKXPVQFXCRHDT-ZDUSSCGKSA-N 0 0 321.377 0.386 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000359955509 271151450 /nfs/dbraw/zinc/15/14/50/271151450.db2.gz IQQLDVHLVRNMCQ-CHWSQXEVSA-N 0 0 324.406 0.922 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000361013907 271171636 /nfs/dbraw/zinc/17/16/36/271171636.db2.gz LLARWIUEGFVARX-UHFFFAOYSA-N 0 0 306.366 0.254 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@@H](CO)[C@@H]2CCOC2)cn1 ZINC000361267135 271175328 /nfs/dbraw/zinc/17/53/28/271175328.db2.gz QPZPMKDKQGULJX-YPMHNXCESA-N 0 0 323.393 0.582 10 0 DCAERN Cn1cc(CN2CCN3CCOC[C@H]3C2)c(-c2cccnc2)n1 ZINC000363887650 271207121 /nfs/dbraw/zinc/20/71/21/271207121.db2.gz LMCDYYOYBXSDFM-MRXNPFEDSA-N 0 0 313.405 0.999 10 0 DCAERN COC1(C)CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C1 ZINC000439862475 271645570 /nfs/dbraw/zinc/64/55/70/271645570.db2.gz ZDLYJEBJYOSFLI-UHFFFAOYSA-N 0 0 317.345 0.609 10 0 DCAERN CNC(=O)COc1ccc(C(=O)N(C)CCCO)cc1OC ZINC000442991978 271692363 /nfs/dbraw/zinc/69/23/63/271692363.db2.gz KXSYIRJITIRLEX-UHFFFAOYSA-N 0 0 310.350 0.274 10 0 DCAERN CC[C@@]1(C)NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445942246 271751478 /nfs/dbraw/zinc/75/14/78/271751478.db2.gz AWEABWKHXYXMDZ-CYBMUJFWSA-N 0 0 311.363 0.820 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)C1 ZINC000447686340 271796673 /nfs/dbraw/zinc/79/66/73/271796673.db2.gz DXJKYFYTOJNEGP-UHFFFAOYSA-N 0 0 319.361 0.990 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CCN(CC(F)(F)F)CC1 ZINC000448625142 271828081 /nfs/dbraw/zinc/82/80/81/271828081.db2.gz ZARCJLUAJNNUQR-UHFFFAOYSA-N 0 0 304.316 0.978 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@@H](C)C(=O)OC)CC12COC2 ZINC000452250840 271912242 /nfs/dbraw/zinc/91/22/42/271912242.db2.gz CKOOMKVRXGOHTO-MNOVXSKESA-N 0 0 313.350 0.224 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000453732927 271929821 /nfs/dbraw/zinc/92/98/21/271929821.db2.gz IOUDFMFMQJXNLA-PWSUYJOCSA-N 0 0 303.362 0.738 10 0 DCAERN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458124834 271942574 /nfs/dbraw/zinc/94/25/74/271942574.db2.gz AQLXBABGADLLAE-ZFWWWQNUSA-N 0 0 318.377 0.921 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458131758 271943758 /nfs/dbraw/zinc/94/37/58/271943758.db2.gz RENLWJSFJZUHTL-ZDUSSCGKSA-N 0 0 304.350 0.397 10 0 DCAERN CCc1ccccc1OCCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148682 271944196 /nfs/dbraw/zinc/94/41/96/271944196.db2.gz TYYBULDFIMYKKY-AWEZNQCLSA-N 0 0 318.377 0.787 10 0 DCAERN CC(C)Cc1ncc(NC(=O)NC[C@H](O)Cn2ccnn2)cn1 ZINC000459526508 272000229 /nfs/dbraw/zinc/00/02/29/272000229.db2.gz OKYCNVZEZNMPDU-LBPRGKRZSA-N 0 0 319.369 0.449 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459808654 272011278 /nfs/dbraw/zinc/01/12/78/272011278.db2.gz HQYXNVGQGVFRPK-CXAGYDPISA-N 0 0 321.421 0.906 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000461267331 272025955 /nfs/dbraw/zinc/02/59/55/272025955.db2.gz BVDBJTGJFQLOAN-UTLUCORTSA-N 0 0 320.436 0.955 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)COCC(=O)N[C@H](C)[C@H](C)OC ZINC000461274633 272026101 /nfs/dbraw/zinc/02/61/01/272026101.db2.gz OGBXTCOIQPGXMA-WYUUTHIRSA-N 0 0 304.387 0.082 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H](C)[C@H](C)OC ZINC000466497732 272026555 /nfs/dbraw/zinc/02/65/55/272026555.db2.gz UNUQZQUPMWVFTN-WUHRBBMRSA-N 0 0 304.387 0.530 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000471691253 272029826 /nfs/dbraw/zinc/02/98/26/272029826.db2.gz AEMIFDMJZOQKFC-GHMZBOCLSA-N 0 0 311.382 0.781 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000471695423 272030033 /nfs/dbraw/zinc/03/00/33/272030033.db2.gz ZCBNLGZODSMECC-NWDGAFQWSA-N 0 0 320.345 0.829 10 0 DCAERN CO[C@H](C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1)C(C)C ZINC000471845683 272032137 /nfs/dbraw/zinc/03/21/37/272032137.db2.gz NYCJSRZEALJPKN-AWEZNQCLSA-N 0 0 321.425 0.862 10 0 DCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCCN1C(=O)CNC1=O ZINC000471924137 272033122 /nfs/dbraw/zinc/03/31/22/272033122.db2.gz LHLSVGFMIZVYKN-HTQZYQBOSA-N 0 0 322.287 0.521 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1CCCCO1 ZINC000487147045 272038999 /nfs/dbraw/zinc/03/89/99/272038999.db2.gz DTMSRDTZLVOORB-SRVKXCTJSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1ccccn1 ZINC000487154272 272039113 /nfs/dbraw/zinc/03/91/13/272039113.db2.gz PUFMTZLMLDXDRY-VXGBXAGGSA-N 0 0 321.377 0.587 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCCC(F)(F)C2)c1=O ZINC000488967770 272054203 /nfs/dbraw/zinc/05/42/03/272054203.db2.gz BOJHDYCUNZFWBO-SECBINFHSA-N 0 0 301.293 0.241 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccncc1 ZINC000492274241 272120729 /nfs/dbraw/zinc/12/07/29/272120729.db2.gz MCKKOSXNTLDGAA-MNOVXSKESA-N 0 0 322.365 0.337 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2CCC[C@H]2C)[C@@H](C)C1=O ZINC000494321864 272218528 /nfs/dbraw/zinc/21/85/28/272218528.db2.gz CFAOKJFBGFECCY-OLZOCXBDSA-N 0 0 317.455 0.904 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C[C@@H](O)C2(CC2)C1 ZINC000494714647 272228400 /nfs/dbraw/zinc/22/84/00/272228400.db2.gz XTEYYSLOFHUBGC-HZPDHXFCSA-N 0 0 316.401 0.760 10 0 DCAERN CNC(=O)COc1cccc(CN[C@@H](C(=O)OC)C2CC2)c1 ZINC000507246977 272394349 /nfs/dbraw/zinc/39/43/49/272394349.db2.gz LKXDPVYPNRXZQC-OAHLLOKOSA-N 0 0 306.362 0.853 10 0 DCAERN O=C(Cn1cc(C(=O)NC2(CO)CC2)cn1)NC1CCCCC1 ZINC000514956156 272414191 /nfs/dbraw/zinc/41/41/91/272414191.db2.gz XCVCGPOKDWKVKD-UHFFFAOYSA-N 0 0 320.393 0.587 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)NCc2nnc(C3CCC3)n2C)C1 ZINC000522051672 272545465 /nfs/dbraw/zinc/54/54/65/272545465.db2.gz DZRVWCGBCPYGNJ-NSHDSACASA-N 0 0 319.409 0.957 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000530514302 272744193 /nfs/dbraw/zinc/74/41/93/272744193.db2.gz VEHJNPXKXZSIBW-GHMZBOCLSA-N 0 0 321.443 0.571 10 0 DCAERN Cc1nnc(-c2ccccc2C(=O)N(C)Cc2nnnn2C)o1 ZINC000531715830 272766749 /nfs/dbraw/zinc/76/67/49/272766749.db2.gz XKMMIDZQKPPKDI-UHFFFAOYSA-N 0 0 313.321 0.841 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCc2cc(CC)no2)C1 ZINC000531860813 272772218 /nfs/dbraw/zinc/77/22/18/272772218.db2.gz DCHAVYSEQNVAJO-LLVKDONJSA-N 0 0 309.370 0.840 10 0 DCAERN Cc1nnc2n1C[C@@H](CNC(=O)NCc1ncccc1O)CC2 ZINC000527453486 287693403 /nfs/dbraw/zinc/69/34/03/287693403.db2.gz FMTYYZBRQHMKMA-LLVKDONJSA-N 0 0 316.365 0.749 10 0 DCAERN CC(=O)N1c2ccc(S(=O)(=O)NCC3COC3)cc2C[C@H]1C ZINC000528563824 287719942 /nfs/dbraw/zinc/71/99/42/287719942.db2.gz LGLQMLFSNGJTPV-SNVBAGLBSA-N 0 0 324.402 0.909 10 0 DCAERN CC(=O)CSCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000531381125 287776299 /nfs/dbraw/zinc/77/62/99/287776299.db2.gz OVHMYVXSPRYTPJ-LBPRGKRZSA-N 0 0 321.464 0.980 10 0 DCAERN Cn1cc(CC(=O)N2CC[C@@H](NC(N)=O)C2)c2ccccc21 ZINC000534996417 287822685 /nfs/dbraw/zinc/82/26/85/287822685.db2.gz BIPPRAOEMWGLSR-GFCCVEGCSA-N 0 0 300.362 0.990 10 0 DCAERN Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000535713692 287837850 /nfs/dbraw/zinc/83/78/50/287837850.db2.gz ORKJDSYSQVIMEQ-LLVKDONJSA-N 0 0 315.333 0.928 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738127 276356917 /nfs/dbraw/zinc/35/69/17/276356917.db2.gz IVSWXPJZOMXQSO-BDAKNGLRSA-N 0 0 309.288 0.268 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccco1)N(C)C ZINC000122663225 277014770 /nfs/dbraw/zinc/01/47/70/277014770.db2.gz CAUKICVDXSMWII-VXGBXAGGSA-N 0 0 311.407 0.920 10 0 DCAERN CN1C(=O)N[C@@H]2CN(c3cc(N4CCCC4)ncn3)CC[C@@H]21 ZINC000284691032 277017341 /nfs/dbraw/zinc/01/73/41/277017341.db2.gz YZNUNQDALPHKSL-NEPJUHHUSA-N 0 0 302.382 0.679 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114440473 277028099 /nfs/dbraw/zinc/02/80/99/277028099.db2.gz LHVCCXTYBJFBSK-INIZCTEOSA-N 0 0 307.394 0.588 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000408137215 277374700 /nfs/dbraw/zinc/37/47/00/277374700.db2.gz IOONGYKZMWJWSN-OLZOCXBDSA-N 0 0 307.460 0.206 10 0 DCAERN COc1nc(C)cc(N2CCC[C@@H]2C(=O)N2CCN(C)CC2)n1 ZINC000408219495 277482218 /nfs/dbraw/zinc/48/22/18/277482218.db2.gz NSQFTKZLDCMRQO-CYBMUJFWSA-N 0 0 319.409 0.536 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC(=O)N[C@@H]3CCCC[C@H]32)nc1 ZINC000408380015 277502871 /nfs/dbraw/zinc/50/28/71/277502871.db2.gz SASLXAKYMHSSIX-VXGBXAGGSA-N 0 0 309.391 0.733 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408258653 277951048 /nfs/dbraw/zinc/95/10/48/277951048.db2.gz ZIRZPQGGWUBTHZ-CYZMBNFOSA-N 0 0 320.411 0.020 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C1CC1 ZINC000333053427 277974812 /nfs/dbraw/zinc/97/48/12/277974812.db2.gz QVJGQYAMDZNDRU-HZPDHXFCSA-N 0 0 321.421 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H]1C(N)=O ZINC000408054938 288001091 /nfs/dbraw/zinc/00/10/91/288001091.db2.gz PXVNCOWRVHGCJX-BZNPZCIMSA-N 0 0 321.299 0.023 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408075263 277988443 /nfs/dbraw/zinc/98/84/43/277988443.db2.gz XMOXVHGKRJKPGD-ZYHUDNBSSA-N 0 0 302.396 0.033 10 0 DCAERN CCOC(=O)CN(C(=O)CCCN1C(=O)CCC1=O)C1CCC1 ZINC000545925618 288006577 /nfs/dbraw/zinc/00/65/77/288006577.db2.gz GOZCWUXHLMYCOB-UHFFFAOYSA-N 0 0 324.377 0.860 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC(=O)N1C ZINC000282515666 288007735 /nfs/dbraw/zinc/00/77/35/288007735.db2.gz YJVSSKTXHISQOC-ZETOZRRWSA-N 0 0 304.346 0.904 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCSC[C@H]1C1CCC1 ZINC000333096889 278068446 /nfs/dbraw/zinc/06/84/46/278068446.db2.gz BVLYFOLBCTUWTI-MJBXVCDLSA-N 0 0 312.435 0.712 10 0 DCAERN CC(=O)NC1(C(=O)N2CCN(C3CC3)C(=O)C2)CCCCC1 ZINC000407952768 278080008 /nfs/dbraw/zinc/08/00/08/278080008.db2.gz AQNNEJJZCUDTQA-UHFFFAOYSA-N 0 0 307.394 0.659 10 0 DCAERN CC1(C)CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000287761371 278246585 /nfs/dbraw/zinc/24/65/85/278246585.db2.gz UHLWNNYYLWEXTC-GHMZBOCLSA-N 0 0 305.382 0.924 10 0 DCAERN C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c2ccccc21 ZINC000154463692 278378068 /nfs/dbraw/zinc/37/80/68/278378068.db2.gz HMGUCUSEFSQKSL-SMDDNHRTSA-N 0 0 317.389 0.946 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CSCCN1C(=O)[C@H]1COCCO1 ZINC000408302158 278456385 /nfs/dbraw/zinc/45/63/85/278456385.db2.gz DZSHWIMGVQYVNQ-GHMZBOCLSA-N 0 0 317.407 0.688 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1ccn(-c2ccccc2)n1 ZINC000547733330 288073849 /nfs/dbraw/zinc/07/38/49/288073849.db2.gz NVOJACKPDPHYSA-UHFFFAOYSA-N 0 0 314.345 0.347 10 0 DCAERN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000547835901 288083521 /nfs/dbraw/zinc/08/35/21/288083521.db2.gz FSKPGLMRCDSWLV-KBXIAJHMSA-N 0 0 315.410 0.816 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000125344106 278938260 /nfs/dbraw/zinc/93/82/60/278938260.db2.gz PNDJUXKDYWBRHQ-NWDGAFQWSA-N 0 0 318.439 0.560 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)n1 ZINC000186638549 279041972 /nfs/dbraw/zinc/04/19/72/279041972.db2.gz QBXUGPUWWQLFOR-DTWKUNHWSA-N 0 0 310.379 0.502 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccnnc2C)CC1 ZINC000547996105 288099990 /nfs/dbraw/zinc/09/99/90/288099990.db2.gz YMOUIOLMQGTKED-UHFFFAOYSA-N 0 0 306.366 0.494 10 0 DCAERN CCN(CC(=O)NC(N)=O)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931609 279054184 /nfs/dbraw/zinc/05/41/84/279054184.db2.gz RDYHOPKNFYLHSJ-UHFFFAOYSA-N 0 0 306.366 0.405 10 0 DCAERN Cc1nc(N2CCN(C3CC3)CC2)sc1S(N)(=O)=O ZINC000328749822 279091445 /nfs/dbraw/zinc/09/14/45/279091445.db2.gz QIINCXNSEBHSRO-UHFFFAOYSA-N 0 0 302.425 0.383 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@]1(O)CCSC1)N1CCOCC1 ZINC000121385737 279160196 /nfs/dbraw/zinc/16/01/96/279160196.db2.gz ZMOMJHNKLFXSDZ-UKRRQHHQSA-N 0 0 316.467 0.718 10 0 DCAERN Cc1ncc2n1CC[C@H](C(=O)N1CC[C@H]3OCCN(C)[C@@H]3C1)C2 ZINC000329748302 279162533 /nfs/dbraw/zinc/16/25/33/279162533.db2.gz ZXCWJGIHPSYZMJ-NUEKZKHPSA-N 0 0 318.421 0.685 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738129 279250825 /nfs/dbraw/zinc/25/08/25/279250825.db2.gz IVSWXPJZOMXQSO-IUCAKERBSA-N 0 0 309.288 0.268 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc21 ZINC000185309912 279432867 /nfs/dbraw/zinc/43/28/67/279432867.db2.gz XMWFRBPQAHPWCN-ZDUSSCGKSA-N 0 0 315.377 0.515 10 0 DCAERN O=C1C[C@H](c2ccccc2)N(S(=O)(=O)NC2CC2)CCN1 ZINC000548446047 288143651 /nfs/dbraw/zinc/14/36/51/288143651.db2.gz WLUVNNUDYLENPI-CYBMUJFWSA-N 0 0 309.391 0.546 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000091780224 279592146 /nfs/dbraw/zinc/59/21/46/279592146.db2.gz ZOCPPRSBYPRZOP-CYBMUJFWSA-N 0 0 303.293 0.700 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C[C@H](C)O1 ZINC000548720540 288170656 /nfs/dbraw/zinc/17/06/56/288170656.db2.gz CQIAPEKUGKJYBA-OQMKEHIESA-N 0 0 308.378 0.672 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246260654 279940208 /nfs/dbraw/zinc/94/02/08/279940208.db2.gz OAXABPNANFAZMR-IIAWOOMASA-N 0 0 323.437 0.613 10 0 DCAERN Cn1cc(OCC(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)cn1 ZINC000548827499 288180173 /nfs/dbraw/zinc/18/01/73/288180173.db2.gz XIQZYGGHUNSORC-INIZCTEOSA-N 0 0 314.345 0.798 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1 ZINC000548870300 288183343 /nfs/dbraw/zinc/18/33/43/288183343.db2.gz BOOJSMCSDPGCRA-GFCCVEGCSA-N 0 0 306.366 0.412 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000549206947 288194907 /nfs/dbraw/zinc/19/49/07/288194907.db2.gz MUISYXIGRZOJSB-JSGCOSHPSA-N 0 0 319.409 0.524 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172756997 280192755 /nfs/dbraw/zinc/19/27/55/280192755.db2.gz LSLLGHLNKCYLGS-LBPRGKRZSA-N 0 0 316.361 0.403 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CCn1ncn(C)c1=O ZINC000550913407 288221212 /nfs/dbraw/zinc/22/12/12/288221212.db2.gz DNZYILZCUHZMRL-UHFFFAOYSA-N 0 0 317.349 0.593 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C[C@@]2(CCOC2)O1 ZINC000329320978 280369481 /nfs/dbraw/zinc/36/94/81/280369481.db2.gz IZQSCAUSHFYODS-OXJKWZBOSA-N 0 0 312.366 0.866 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)C[C@@H](C)O1 ZINC000329280847 288233039 /nfs/dbraw/zinc/23/30/39/288233039.db2.gz DUOAHCVLCOXORT-UTUOFQBUSA-N 0 0 314.411 0.901 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000551885383 288240382 /nfs/dbraw/zinc/24/03/82/288240382.db2.gz SIDILOFRRMFPAD-CHWSQXEVSA-N 0 0 320.393 0.984 10 0 DCAERN c1ncn2c1C[C@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329592992 280512811 /nfs/dbraw/zinc/51/28/11/280512811.db2.gz CBCAFPXOLNCRBM-DGCLKSJQSA-N 0 0 300.366 0.668 10 0 DCAERN CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552753694 288280302 /nfs/dbraw/zinc/28/03/02/288280302.db2.gz PELQIFROJRRMDI-LLVKDONJSA-N 0 0 302.334 0.768 10 0 DCAERN CC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1CC(F)F ZINC000245759823 281144462 /nfs/dbraw/zinc/14/44/62/281144462.db2.gz PTUFVLDYZGBNAG-NWDGAFQWSA-N 0 0 305.369 0.505 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1c(F)cccc1F ZINC000407953253 281278089 /nfs/dbraw/zinc/27/80/89/281278089.db2.gz CJEVSMLHCKMMQB-UHFFFAOYSA-N 0 0 304.318 0.864 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cn1 ZINC000554529397 288326658 /nfs/dbraw/zinc/32/66/58/288326658.db2.gz JQNVKJZIKCAYBO-NSHDSACASA-N 0 0 317.271 0.952 10 0 DCAERN Cn1cc(OCC(=O)NCc2nnc3n2CCCCC3)cn1 ZINC000554553718 288328347 /nfs/dbraw/zinc/32/83/47/288328347.db2.gz AFJLFNRWGKIBMN-UHFFFAOYSA-N 0 0 304.354 0.433 10 0 DCAERN Cn1nnc2c1nccc2C(=O)NCC(=O)NC1CCCCC1 ZINC000554692981 288335591 /nfs/dbraw/zinc/33/55/91/288335591.db2.gz DBNIYUGFJCVGOR-UHFFFAOYSA-N 0 0 316.365 0.542 10 0 DCAERN COc1ncc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000555833400 288363580 /nfs/dbraw/zinc/36/35/80/288363580.db2.gz DAHCFZLNTOZQBY-AWEZNQCLSA-N 0 0 324.768 0.918 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000408136404 281931362 /nfs/dbraw/zinc/93/13/62/281931362.db2.gz DMMKENROBJVTKB-IJLUTSLNSA-N 0 0 300.424 0.917 10 0 DCAERN Cn1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2)n1 ZINC000556712507 288386493 /nfs/dbraw/zinc/38/64/93/288386493.db2.gz NQBSVOWJIJHPAC-CYBMUJFWSA-N 0 0 301.350 0.836 10 0 DCAERN O=C(CN1CSCC1=O)NCC[C@@H]1COc2ccccc2O1 ZINC000558800369 288460724 /nfs/dbraw/zinc/46/07/24/288460724.db2.gz BBNYRCOIXWSEQN-LLVKDONJSA-N 0 0 322.386 0.866 10 0 DCAERN CCNC(=O)N1CC[C@H](N2C(=O)[C@@H]3CSCCN3C2=O)C1 ZINC000559374878 288472877 /nfs/dbraw/zinc/47/28/77/288472877.db2.gz NOJMJQKYEPKALM-UWVGGRQHSA-N 0 0 312.395 0.170 10 0 DCAERN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740455 288517519 /nfs/dbraw/zinc/51/75/19/288517519.db2.gz ZFHKMBPMGWVXAG-CHWSQXEVSA-N 0 0 308.382 0.121 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561010413 288523615 /nfs/dbraw/zinc/52/36/15/288523615.db2.gz LSIKYWMTQBRFCL-NSHDSACASA-N 0 0 315.333 0.010 10 0 DCAERN CC(=O)CN(CC(C)C)C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000563409486 288671409 /nfs/dbraw/zinc/67/14/09/288671409.db2.gz QVKORPSFBBAIDV-UHFFFAOYSA-N 0 0 313.379 0.567 10 0 DCAERN C[C@@H]1NC(=S)N([C@H]2CCCN(c3cccnc3)C2=O)C1=O ZINC000181282663 288845645 /nfs/dbraw/zinc/84/56/45/288845645.db2.gz LFRVKSMIYMMTTP-ONGXEEELSA-N 0 0 304.375 0.682 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245597900 289083453 /nfs/dbraw/zinc/08/34/53/289083453.db2.gz HYGJQDMLPUIJPZ-IOASZLSFSA-N 0 0 320.389 0.360 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408187900 289229856 /nfs/dbraw/zinc/22/98/56/289229856.db2.gz QOODNGXRHNHZLN-AAEUAGOBSA-N 0 0 304.412 0.031 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@@H]21 ZINC000408019717 290083321 /nfs/dbraw/zinc/08/33/21/290083321.db2.gz AKHDTVUFSGPBOL-TUAOUCFPSA-N 0 0 312.414 0.001 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@@H]3CCCn4ccnc43)CCO2)[nH]1 ZINC000176473293 293125593 /nfs/dbraw/zinc/12/55/93/293125593.db2.gz HTGJDPPXBKIUFX-VXGBXAGGSA-N 0 0 316.365 0.787 10 0 DCAERN Cc1nnc([C@H]2CCCCN2Cc2cc(=O)n(C)c(=O)n2C)[nH]1 ZINC000407952283 293386657 /nfs/dbraw/zinc/38/66/57/293386657.db2.gz SEJQBRWZQKJZEH-GFCCVEGCSA-N 0 0 318.381 0.238 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCC(F)(F)F)[C@H]2C1 ZINC000246093567 293798137 /nfs/dbraw/zinc/79/81/37/293798137.db2.gz COLFUHDFVPTLFY-OUAUKWLOSA-N 0 0 310.316 0.933 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC[C@@H]1C ZINC000408256042 293815797 /nfs/dbraw/zinc/81/57/97/293815797.db2.gz JZHVHIPLXOWNNQ-SDDRHHMPSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)C[C@@H](C)O1 ZINC000328880041 297048838 /nfs/dbraw/zinc/04/88/38/297048838.db2.gz LRQQJYHRSYVHKW-AAVRWANBSA-N 0 0 318.439 0.984 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[S@]1=O ZINC000408424056 297070867 /nfs/dbraw/zinc/07/08/67/297070867.db2.gz BYNDQOKAGZXVAO-ZSMADZGOSA-N 0 0 310.423 0.368 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374731031 294294838 /nfs/dbraw/zinc/29/48/38/294294838.db2.gz ARIPUSHJPSFJGN-FRRDWIJNSA-N 0 0 321.439 0.508 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000192923771 294295796 /nfs/dbraw/zinc/29/57/96/294295796.db2.gz NHEKDCCNXOASCM-VHSXEESVSA-N 0 0 303.428 0.922 10 0 DCAERN Cn1cc([C@]2(C)CN(C(=O)[C@]3(O)CCSC3)CCO2)cn1 ZINC000270861567 294308449 /nfs/dbraw/zinc/30/84/49/294308449.db2.gz LLGNZRIJJCNWSJ-KBPBESRZSA-N 0 0 311.407 0.362 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000261968773 295411634 /nfs/dbraw/zinc/41/16/34/295411634.db2.gz NBXJMEGPRHNIGW-GXTWGEPZSA-N 0 0 317.389 0.694 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000368435221 297362295 /nfs/dbraw/zinc/36/22/95/297362295.db2.gz YKCOITKJUHPPNH-TUAOUCFPSA-N 0 0 313.427 0.925 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000442501765 297527034 /nfs/dbraw/zinc/52/70/34/297527034.db2.gz UOMFYJWAMBTKEL-SBMIAAHKSA-N 0 0 323.315 0.752 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000189339531 297557951 /nfs/dbraw/zinc/55/79/51/297557951.db2.gz NZAPGZDELLVUJC-AAEUAGOBSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H](C(=O)Nc1ncccn1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246994964 298197334 /nfs/dbraw/zinc/19/73/34/298197334.db2.gz NNYFMVCQAGEFQB-CHWSQXEVSA-N 0 0 305.382 0.210 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135260666 298836479 /nfs/dbraw/zinc/83/64/79/298836479.db2.gz IAOSGYNILCMZBN-ZJUUUORDSA-N 0 0 314.411 0.472 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185451301 300034547 /nfs/dbraw/zinc/03/45/47/300034547.db2.gz UDABKMQNWFXEMW-JGVFFNPUSA-N 0 0 316.308 0.748 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H](C2CC2)O1 ZINC000329270815 300168864 /nfs/dbraw/zinc/16/88/64/300168864.db2.gz IXDSPVHNEZVOAX-AHLTXXRQSA-N 0 0 310.394 0.648 10 0 DCAERN C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1N1CCOCC1 ZINC000176704468 300297017 /nfs/dbraw/zinc/29/70/17/300297017.db2.gz GUYKEKSKJDNYJJ-ZFWWWQNUSA-N 0 0 318.421 0.940 10 0 DCAERN C[C@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000245744730 300318432 /nfs/dbraw/zinc/31/84/32/300318432.db2.gz XTZFXGGIZUOLAC-RYUDHWBXSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000408292013 300526276 /nfs/dbraw/zinc/52/62/76/300526276.db2.gz BCYBLMODZXZQDI-SLMGRZLQSA-N 0 0 323.393 0.469 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(=O)[nH]c1C ZINC000153839370 302552218 /nfs/dbraw/zinc/55/22/18/302552218.db2.gz IHGBRQRJGISVAG-NWDGAFQWSA-N 0 0 307.350 0.407 10 0 DCAERN Cc1noc([C@H]2COCCN2C(=O)c2c(C)nn(C)c2C)n1 ZINC000407980227 302855909 /nfs/dbraw/zinc/85/59/09/302855909.db2.gz KDLLXPUOOYCOKG-LLVKDONJSA-N 0 0 305.338 0.942 10 0 DCAERN Cn1cc([C@@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cn1 ZINC000408175827 302930726 /nfs/dbraw/zinc/93/07/26/302930726.db2.gz ZKRJBPMAMHHZGJ-GXTWGEPZSA-N 0 0 306.366 0.188 10 0 DCAERN Cn1nc2c(cc1=O)CN(S(=O)(=O)[C@@H]1C[C@@H]3CC[C@H]1C3)CC2 ZINC000333160509 303045258 /nfs/dbraw/zinc/04/52/58/303045258.db2.gz LUJOBGNGZXXGCT-UHIISALHSA-N 0 0 323.418 0.657 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000332783299 332870227 /nfs/dbraw/zinc/87/02/27/332870227.db2.gz ADFGVWRCPSKTOA-XHDPSFHLSA-N 0 0 321.381 0.832 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCO[C@@H]1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000332816902 332877656 /nfs/dbraw/zinc/87/76/56/332877656.db2.gz JVZKOKNUBNGYNP-NAWOPXAZSA-N 0 0 308.378 0.844 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H]2COc3ccccc3O2)CCC1=O ZINC000332853930 332885941 /nfs/dbraw/zinc/88/59/41/332885941.db2.gz DEMDJSKTJXHSCT-NWDGAFQWSA-N 0 0 319.361 0.746 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000583950453 331487407 /nfs/dbraw/zinc/48/74/07/331487407.db2.gz AJEGHTOZSSVBKW-CYBMUJFWSA-N 0 0 304.346 0.942 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000388505556 333317449 /nfs/dbraw/zinc/31/74/49/333317449.db2.gz OHBOVXVUHLHPDW-HNNXBMFYSA-N 0 0 303.318 0.135 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000388505567 333317497 /nfs/dbraw/zinc/31/74/97/333317497.db2.gz OHBOVXVUHLHPDW-OAHLLOKOSA-N 0 0 303.318 0.135 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@@H](C)CO1 ZINC000582160211 335592335 /nfs/dbraw/zinc/59/23/35/335592335.db2.gz CDKODCQAMHYZKA-WDEREUQCSA-N 0 0 302.334 0.909 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000389111174 335747509 /nfs/dbraw/zinc/74/75/09/335747509.db2.gz MYSQDCTWYVFXIH-LLVKDONJSA-N 0 0 301.346 0.928 10 0 DCAERN O=C(NC[C@@H]1CCCn2ccnc21)C(=O)N1CCCSCC1 ZINC000580356829 336259935 /nfs/dbraw/zinc/25/99/35/336259935.db2.gz PDHCROUBMZSQQQ-LBPRGKRZSA-N 0 0 322.434 0.842 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)s1 ZINC000396919404 337242675 /nfs/dbraw/zinc/24/26/75/337242675.db2.gz IOQBFHLSPSALLO-ONGXEEELSA-N 0 0 305.421 0.674 10 0 DCAERN NS(=O)(=O)c1cccc(-c2nccs2)c1-c1nn[nH]n1 ZINC000584597047 337374344 /nfs/dbraw/zinc/37/43/44/337374344.db2.gz UWOZDNNJTRQYCG-UHFFFAOYSA-N 0 0 308.348 0.638 10 0 DCAERN CCN1CCN(CC(=O)N2CCC(C(C)(C)C)CC2)C(=O)C1=O ZINC000172300384 341796161 /nfs/dbraw/zinc/79/61/61/341796161.db2.gz XEDZTYOUIAEFEO-UHFFFAOYSA-N 0 0 323.437 0.962 10 0 DCAERN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000576425255 341845758 /nfs/dbraw/zinc/84/57/58/341845758.db2.gz IHDYFPHCLKBPCT-DZGCQCFKSA-N 0 0 323.437 0.613 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000576875935 341867563 /nfs/dbraw/zinc/86/75/63/341867563.db2.gz GXVGEDGUMSBCOT-KBPBESRZSA-N 0 0 317.393 0.890 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NC[C@H]3CCCOC3)CC2)n1 ZINC000577503806 341913575 /nfs/dbraw/zinc/91/35/75/341913575.db2.gz ZVOCRHSPZAYVKK-CYBMUJFWSA-N 0 0 323.397 0.632 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NC[C@]1(O)CCOC1)C(C)C ZINC000178953290 341973392 /nfs/dbraw/zinc/97/33/92/341973392.db2.gz MXWDFHGDMGXURE-DZGCQCFKSA-N 0 0 300.399 0.441 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188745249 534036919 /nfs/dbraw/zinc/03/69/19/534036919.db2.gz GHUIWEAYYDYQQE-VIFPVBQESA-N 0 0 308.363 0.061 10 0 DCAERN Cc1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)cc1C(N)=O ZINC000188849704 534179917 /nfs/dbraw/zinc/17/99/17/534179917.db2.gz GQBIKHWVUJLZBK-LBPRGKRZSA-N 0 0 320.393 0.624 10 0 DCAERN Cc1nc(CN(C)c2cnn(C)c(=O)c2Br)no1 ZINC000302197269 534348077 /nfs/dbraw/zinc/34/80/77/534348077.db2.gz SWOCEYPBFSBAKT-UHFFFAOYSA-N 0 0 314.143 0.871 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000188826540 519636208 /nfs/dbraw/zinc/63/62/08/519636208.db2.gz LTOYROKRTSIGDQ-ZIAGYGMSSA-N 0 0 312.316 0.605 10 0 DCAERN CC(=O)NC1CN(C(=O)COc2ccc3ccc(=O)oc3c2)C1 ZINC000190532253 519647494 /nfs/dbraw/zinc/64/74/94/519647494.db2.gz FOEIUJQYDYKIJQ-UHFFFAOYSA-N 0 0 316.313 0.519 10 0 DCAERN CC(=O)NC1CN(C(=O)CCN(Cc2ccccc2)C(C)=O)C1 ZINC000190484675 519647764 /nfs/dbraw/zinc/64/77/64/519647764.db2.gz QTBMLHRMKKHFMM-UHFFFAOYSA-N 0 0 317.389 0.772 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000190097304 519647775 /nfs/dbraw/zinc/64/77/75/519647775.db2.gz PDBBIAVJLBJRNZ-UHFFFAOYSA-N 0 0 304.350 0.545 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000157062922 519823214 /nfs/dbraw/zinc/82/32/14/519823214.db2.gz NAPBGRXLDGSAHS-CQSZACIVSA-N 0 0 316.361 0.944 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000186204269 520161999 /nfs/dbraw/zinc/16/19/99/520161999.db2.gz PICDKERNTUKNRF-SNVBAGLBSA-N 0 0 312.395 0.704 10 0 DCAERN CCN(C)S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249469396 520263492 /nfs/dbraw/zinc/26/34/92/520263492.db2.gz RNBDFDQBVAAIJP-RYUDHWBXSA-N 0 0 304.437 0.952 10 0 DCAERN CC1=NN(c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000152200830 520891957 /nfs/dbraw/zinc/89/19/57/520891957.db2.gz DZIYXCBJZPRUFN-CYBMUJFWSA-N 0 0 314.345 0.808 10 0 DCAERN CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246967245 521331860 /nfs/dbraw/zinc/33/18/60/521331860.db2.gz DRANWLHVVHBVOZ-GHMZBOCLSA-N 0 0 305.444 0.303 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC)n1 ZINC000193162358 521456687 /nfs/dbraw/zinc/45/66/87/521456687.db2.gz MKSGNKBXZGLNDY-JTQLQIEISA-N 0 0 324.406 0.771 10 0 DCAERN CCCN(CC(=O)NC)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190551094 521545954 /nfs/dbraw/zinc/54/59/54/521545954.db2.gz VFELGPCCTUFSRO-UHFFFAOYSA-N 0 0 318.370 0.981 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)C1 ZINC000246389188 521620562 /nfs/dbraw/zinc/62/05/62/521620562.db2.gz OEXCXNWFCJZWEI-VXGBXAGGSA-N 0 0 305.444 0.593 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)C(=O)NCC(=O)N(C)C ZINC000188934053 521672380 /nfs/dbraw/zinc/67/23/80/521672380.db2.gz MPYLPYISOZVVIQ-UHFFFAOYSA-N 0 0 320.393 0.067 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190591324 521683453 /nfs/dbraw/zinc/68/34/53/521683453.db2.gz JLNGHCYLUWZSGC-GFCCVEGCSA-N 0 0 300.355 0.866 10 0 DCAERN CCNC(=O)C1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCC1 ZINC000365186799 521733191 /nfs/dbraw/zinc/73/31/91/521733191.db2.gz XXLPXDOKDNYXDZ-CYBMUJFWSA-N 0 0 324.425 0.019 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000166895979 521748574 /nfs/dbraw/zinc/74/85/74/521748574.db2.gz CUUCEJSNMRKDJD-LLVKDONJSA-N 0 0 311.288 0.640 10 0 DCAERN CCc1ccccc1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000188515567 521818528 /nfs/dbraw/zinc/81/85/28/521818528.db2.gz DWFSPHYVWJKLKU-CQSZACIVSA-N 0 0 310.419 0.942 10 0 DCAERN COC[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000124416418 522173555 /nfs/dbraw/zinc/17/35/55/522173555.db2.gz LHOAULHKYIVNAC-SECBINFHSA-N 0 0 320.436 0.734 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188359190 522217471 /nfs/dbraw/zinc/21/74/71/522217471.db2.gz LUXBOAWQUCMXLD-ZIAGYGMSSA-N 0 0 323.368 0.997 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249705131 522466701 /nfs/dbraw/zinc/46/67/01/522466701.db2.gz AFXYOOFUYDNRJA-ZIAGYGMSSA-N 0 0 309.410 0.367 10 0 DCAERN COC[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1 ZINC000246719155 522507081 /nfs/dbraw/zinc/50/70/81/522507081.db2.gz LPAWMXFGNOZVMV-RRFJBIMHSA-N 0 0 312.410 0.504 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000189733672 522815899 /nfs/dbraw/zinc/81/58/99/522815899.db2.gz HHIZIHPMQAEQTE-ZDUSSCGKSA-N 0 0 310.398 0.058 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)c1ccc(F)cc1 ZINC000184238965 522877070 /nfs/dbraw/zinc/87/70/70/522877070.db2.gz TYSLJVUNBSXTAY-HNNXBMFYSA-N 0 0 312.341 0.459 10 0 DCAERN COc1cc(S(=O)(=O)NCCNC(=O)C2CC2)ccc1F ZINC000190463131 522897108 /nfs/dbraw/zinc/89/71/08/522897108.db2.gz FDTUFBRRAJCCBT-UHFFFAOYSA-N 0 0 316.354 0.639 10 0 DCAERN COCc1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150743245 523033186 /nfs/dbraw/zinc/03/31/86/523033186.db2.gz HAYOUHDABQSZPF-UHFFFAOYSA-N 0 0 303.318 0.483 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000132845121 523045019 /nfs/dbraw/zinc/04/50/19/523045019.db2.gz CIMYFLWTUGXBSS-SECBINFHSA-N 0 0 308.338 0.221 10 0 DCAERN COC(=O)C[C@@H](C)N1CCN(C(=O)CCc2ccnn2C)CC1 ZINC000127725195 523263862 /nfs/dbraw/zinc/26/38/62/523263862.db2.gz NKSSQYLVRHMVSO-CYBMUJFWSA-N 0 0 322.409 0.449 10 0 DCAERN COC(=O)C[C@H](NC(=O)C1CN(C(C)=O)C1)c1ccccc1 ZINC000188250387 523331506 /nfs/dbraw/zinc/33/15/06/523331506.db2.gz UTIWPFIIADVPNN-AWEZNQCLSA-N 0 0 304.346 0.885 10 0 DCAERN COCCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115778816 523333749 /nfs/dbraw/zinc/33/37/49/523333749.db2.gz ITDIERUBUJAYME-UHFFFAOYSA-N 0 0 323.441 0.901 10 0 DCAERN CO[C@H](C)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000191660235 523882491 /nfs/dbraw/zinc/88/24/91/523882491.db2.gz ROVGNZOTIVJTFS-SECBINFHSA-N 0 0 303.322 0.561 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136366064 523894269 /nfs/dbraw/zinc/89/42/69/523894269.db2.gz VAXHVSXKRIUCRF-RYUDHWBXSA-N 0 0 303.366 0.182 10 0 DCAERN CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCOC1 ZINC000161872201 523932687 /nfs/dbraw/zinc/93/26/87/523932687.db2.gz JDWAYMMNHOEYEU-VIFPVBQESA-N 0 0 318.782 0.848 10 0 DCAERN CO[C@H]1CN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC[C@@H]1C ZINC000188073896 524004533 /nfs/dbraw/zinc/00/45/33/524004533.db2.gz QCQKASXPZOYPHY-WFASDCNBSA-N 0 0 320.389 0.934 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC1=O ZINC000127842057 524023117 /nfs/dbraw/zinc/02/31/17/524023117.db2.gz JELVUHLIVBJGHP-QWHCGFSZSA-N 0 0 320.397 0.321 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cn1 ZINC000246361326 524076328 /nfs/dbraw/zinc/07/63/28/524076328.db2.gz KCCUIZVIQQGPNE-XQQFMLRXSA-N 0 0 321.381 0.708 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCn1c(C)c(C)sc1=O ZINC000115354676 524082299 /nfs/dbraw/zinc/08/22/99/524082299.db2.gz QDJWMWTUWIWCCX-NSHDSACASA-N 0 0 311.407 0.654 10 0 DCAERN Cc1cccc(C)c1OC[C@H](O)CN1CCOC[C@@H]1C(N)=O ZINC000179732844 524322429 /nfs/dbraw/zinc/32/24/29/524322429.db2.gz AQKLWQUMXMDXAC-ZIAGYGMSSA-N 0 0 308.378 0.229 10 0 DCAERN COc1ccccc1CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000104907075 524406041 /nfs/dbraw/zinc/40/60/41/524406041.db2.gz DOYWHZXZMWUGLV-NSHDSACASA-N 0 0 314.407 0.634 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@H](C(N)=O)O1 ZINC000157570522 524798165 /nfs/dbraw/zinc/79/81/65/524798165.db2.gz ZQHPZOYXIAHVQI-NOZJJQNGSA-N 0 0 303.318 0.472 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(Cl)n2)C[C@H]1N1CCOCC1 ZINC000189452307 524883735 /nfs/dbraw/zinc/88/37/35/524883735.db2.gz WXARDFDADYXXNC-ZYHUDNBSSA-N 0 0 310.785 0.923 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)ccc21 ZINC000284714722 534821680 /nfs/dbraw/zinc/82/16/80/534821680.db2.gz ZEXGTHAKESUNAV-QMTHXVAHSA-N 0 0 315.373 0.789 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCS1(=O)=O ZINC000247144680 524967082 /nfs/dbraw/zinc/96/70/82/524967082.db2.gz RLPSMKKQWIASPH-DGCLKSJQSA-N 0 0 317.382 0.684 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCc1nncn1-c1ccccc1 ZINC000189992603 525051566 /nfs/dbraw/zinc/05/15/66/525051566.db2.gz AXGHMDDGHNWFIX-DGCLKSJQSA-N 0 0 322.390 0.864 10 0 DCAERN C[C@H](NC(=O)Nc1cnc(N(C)C)nc1)C(=O)NC(C)(C)C ZINC000155135961 525122182 /nfs/dbraw/zinc/12/21/82/525122182.db2.gz MLRPBNYTSQXMAS-VIFPVBQESA-N 0 0 308.386 0.967 10 0 DCAERN C[C@H](NC(=O)[C@H]1COCCN1)c1noc(Cc2ccccc2)n1 ZINC000237533550 525182327 /nfs/dbraw/zinc/18/23/27/525182327.db2.gz WLBNVFCYWSROSB-WCQYABFASA-N 0 0 316.361 0.826 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)cnc12 ZINC000194340643 534839686 /nfs/dbraw/zinc/83/96/86/534839686.db2.gz BUSBFTNVRXQVFN-JOYOIKCWSA-N 0 0 314.345 0.257 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC000266704065 525212479 /nfs/dbraw/zinc/21/24/79/525212479.db2.gz PKLBARFKQUUBPG-QMMMGPOBSA-N 0 0 303.771 0.499 10 0 DCAERN Cc1ccccc1OC[C@@H](O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247111078 525308884 /nfs/dbraw/zinc/30/88/84/525308884.db2.gz PBYRRCLRYBHVAH-KBPBESRZSA-N 0 0 313.419 0.854 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189495352 525355772 /nfs/dbraw/zinc/35/57/72/525355772.db2.gz SBQGXQDPHWPKSD-SECBINFHSA-N 0 0 305.334 0.135 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)O1 ZINC000368518698 525403199 /nfs/dbraw/zinc/40/31/99/525403199.db2.gz NDLMINXTHXKWFL-OIMNJJJWSA-N 0 0 310.394 0.696 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126606203 525489589 /nfs/dbraw/zinc/48/95/89/525489589.db2.gz GAKPAGYTNOTEAJ-SNVBAGLBSA-N 0 0 314.411 0.479 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000162126254 525518822 /nfs/dbraw/zinc/51/88/22/525518822.db2.gz HQMUVIZKFCGQCG-UWVGGRQHSA-N 0 0 318.420 0.586 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)c(F)c1 ZINC000249475455 525544721 /nfs/dbraw/zinc/54/47/21/525544721.db2.gz UCAQWUSOWPAMQD-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN 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Cn1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)c(C2CC2)n1 ZINC000333397130 546080134 /nfs/dbraw/zinc/08/01/34/546080134.db2.gz NEEQKRRQRFJEMM-VIFPVBQESA-N 0 0 305.338 0.566 10 0 DCAERN Cn1cc([C@H]2[C@H](C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)OCC(=O)N2C)cn1 ZINC000333394374 546080168 /nfs/dbraw/zinc/08/01/68/546080168.db2.gz DPGVOFKNOSCZRJ-VZBCLDGYSA-N 0 0 318.377 0.233 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333574178 546085736 /nfs/dbraw/zinc/08/57/36/546085736.db2.gz YQRQPXHXKFMMPO-CTMWFGIQSA-N 0 0 306.406 0.863 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000333979703 546096814 /nfs/dbraw/zinc/09/68/14/546096814.db2.gz BDXCPOMSGNRYAE-DEPYFDJDSA-N 0 0 324.421 0.990 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NCc2ccc3cc[nH]c3n2)CC1 ZINC000358089300 546190070 /nfs/dbraw/zinc/19/00/70/546190070.db2.gz GTOGDXKUOMJKIA-UHFFFAOYSA-N 0 0 322.390 0.939 10 0 DCAERN CC(C)CCn1ccc(=NC(=O)C(=O)N2CCCOCC2)[nH]1 ZINC000361912812 546204652 /nfs/dbraw/zinc/20/46/52/546204652.db2.gz SFHMSVFISDEXJL-UHFFFAOYSA-N 0 0 308.382 0.539 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000401901865 546225935 /nfs/dbraw/zinc/22/59/35/546225935.db2.gz RCFHTBSSIUBIHG-LBPRGKRZSA-N 0 0 304.368 0.453 10 0 DCAERN COCc1nc(N[C@@H]2CCCN(CCO)C2=O)cc(OC)n1 ZINC000443514290 546256368 /nfs/dbraw/zinc/25/63/68/546256368.db2.gz ZKCQTSWQYHNVRI-SNVBAGLBSA-N 0 0 310.354 0.027 10 0 DCAERN CO[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1c1cn[nH]n1 ZINC000622165413 546322750 /nfs/dbraw/zinc/32/27/50/546322750.db2.gz BRAZXABAPVBMDO-JOYOIKCWSA-N 0 0 303.322 0.925 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)c(F)c1 ZINC000671498159 547226979 /nfs/dbraw/zinc/22/69/79/547226979.db2.gz BFFNEOHXRPJQTL-HNNXBMFYSA-N 0 0 320.324 0.703 10 0 DCAERN CC(C)(C)OC(=O)N1CCn2ncc(S(N)(=O)=O)c2C1 ZINC000725272397 548749978 /nfs/dbraw/zinc/74/99/78/548749978.db2.gz CZCWIMKHTAIYNE-UHFFFAOYSA-N 0 0 302.356 0.281 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)C2CCC(=O)CC2)C1=O ZINC000722352932 660922667 /nfs/dbraw/zinc/92/26/67/660922667.db2.gz IKLXRSJTOAKGBC-LBPRGKRZSA-N 0 0 302.396 0.428 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000178516580 661011932 /nfs/dbraw/zinc/01/19/32/661011932.db2.gz ZJEGZDJFRAKDPM-STQMWFEESA-N 0 0 312.410 0.897 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ncn(C)c1Cl ZINC000027959848 661016030 /nfs/dbraw/zinc/01/60/30/661016030.db2.gz YCWCYSGHRQFSCB-UHFFFAOYSA-N 0 0 322.818 0.609 10 0 DCAERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2cnco2)n(C)c1=O ZINC000888095451 661166745 /nfs/dbraw/zinc/16/67/45/661166745.db2.gz YQZJJEGUENDOIX-GHMZBOCLSA-N 0 0 319.365 0.638 10 0 DCAERN Cc1ccoc1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000888100743 661179603 /nfs/dbraw/zinc/17/96/03/661179603.db2.gz MXCRROKGTVOPEK-GXTWGEPZSA-N 0 0 305.334 0.827 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000187821022 661229990 /nfs/dbraw/zinc/22/99/90/661229990.db2.gz XAMFJPQFARIKPH-QWRGUYRKSA-N 0 0 312.391 0.535 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCn1cccn1 ZINC000068506648 665425772 /nfs/dbraw/zinc/42/57/72/665425772.db2.gz HXQRGYAJHUUQKF-GFCCVEGCSA-N 0 0 315.395 0.631 10 0 DCAERN COCCN1C[C@H](C(=O)O[C@H](C)CCn2cccn2)CC1=O ZINC000180331197 665434777 /nfs/dbraw/zinc/43/47/77/665434777.db2.gz WXNWGKHZZFDIBC-CHWSQXEVSA-N 0 0 309.366 0.700 10 0 DCAERN CN(CCO)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000180921966 665464206 /nfs/dbraw/zinc/46/42/06/665464206.db2.gz QJELMVNVTBGCDI-UHFFFAOYSA-N 0 0 316.361 0.805 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CC(N)=O)C(C)(C)C ZINC000255120705 657601269 /nfs/dbraw/zinc/60/12/69/657601269.db2.gz NGUBXMLHKVUQJH-LLVKDONJSA-N 0 0 321.425 0.800 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@H](C(N)=O)C(C)(C)C ZINC000255378871 657601499 /nfs/dbraw/zinc/60/14/99/657601499.db2.gz DMMICDDRVMPXPM-QMTHXVAHSA-N 0 0 321.425 0.704 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)NCCOC2CCC2)CC1 ZINC000074843386 657637002 /nfs/dbraw/zinc/63/70/02/657637002.db2.gz CSEORKSTXSUVAE-UHFFFAOYSA-N 0 0 324.425 0.185 10 0 DCAERN CC[C@@]1(C(C)C)NC(=O)N(CN2CCC[C@@H](NC(C)=O)C2)C1=O ZINC000247243729 657676967 /nfs/dbraw/zinc/67/69/67/657676967.db2.gz ZIHRGJICIFZTDK-CJNGLKHVSA-N 0 0 324.425 0.901 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000176142750 657889874 /nfs/dbraw/zinc/88/98/74/657889874.db2.gz JLUIORYURRYMIV-STQMWFEESA-N 0 0 302.330 0.853 10 0 DCAERN CCCCOCCCNC(=O)C[C@@H]1CNCCS1(=O)=O ZINC000725016231 658020510 /nfs/dbraw/zinc/02/05/10/658020510.db2.gz CZXYYKINIPIZMK-GFCCVEGCSA-N 0 0 306.428 0.086 10 0 DCAERN CC(C)(C)SCCNC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725022881 658024092 /nfs/dbraw/zinc/02/40/92/658024092.db2.gz RWNCRDUSOJZZIX-JTQLQIEISA-N 0 0 308.469 0.411 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@]23CCC[C@H]2OCC3)CCC1 ZINC000721566878 658050231 /nfs/dbraw/zinc/05/02/31/658050231.db2.gz MBTNASKGJHPAQK-MFKMUULPSA-N 0 0 302.396 0.273 10 0 DCAERN O=S(=O)(c1cc(F)ccc1Cl)N1CCOC[C@H]1CO ZINC000097896573 658082174 /nfs/dbraw/zinc/08/21/74/658082174.db2.gz ZODSUSBMNIVHQR-SECBINFHSA-N 0 0 309.746 0.861 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000170203727 658104130 /nfs/dbraw/zinc/10/41/30/658104130.db2.gz BZHCIYHFQRTFOC-MRXNPFEDSA-N 0 0 301.346 0.997 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)csc2C)CCO1 ZINC000725088316 658132848 /nfs/dbraw/zinc/13/28/48/658132848.db2.gz DDVZEPBYZNXOKL-SNVBAGLBSA-N 0 0 319.404 0.927 10 0 DCAERN CCO[C@@H](C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000176861791 658156839 /nfs/dbraw/zinc/15/68/39/658156839.db2.gz BCTNKFLHXPHYMN-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1 ZINC000050633875 658368802 /nfs/dbraw/zinc/36/88/02/658368802.db2.gz MUCOIGLWKQSEIL-ZDUSSCGKSA-N 0 0 301.346 0.497 10 0 DCAERN Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000089752779 658457018 /nfs/dbraw/zinc/45/70/18/658457018.db2.gz SQJDVZBCIIXWLM-SNVBAGLBSA-N 0 0 310.737 0.949 10 0 DCAERN NC(=O)[C@@H]1CCN1c1ncncc1I ZINC000757140068 658459056 /nfs/dbraw/zinc/45/90/56/658459056.db2.gz AOHXCKODUGCEOU-LURJTMIESA-N 0 0 304.091 0.145 10 0 DCAERN CS[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000235048378 658469909 /nfs/dbraw/zinc/46/99/09/658469909.db2.gz UESIRVJUZLPMNS-GMTAPVOTSA-N 0 0 306.453 0.163 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)/C=C\c2ccccc2)O1 ZINC000255712278 658490262 /nfs/dbraw/zinc/49/02/62/658490262.db2.gz JBPFKIYLNRXFGH-MPBQIQEOSA-N 0 0 310.375 0.610 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cnn3cccnc23)c1 ZINC000888077090 658717093 /nfs/dbraw/zinc/71/70/93/658717093.db2.gz IJABJJMZTBZIFS-YNEHKIRRSA-N 0 0 312.333 0.339 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cn1 ZINC000052064367 658717533 /nfs/dbraw/zinc/71/75/33/658717533.db2.gz ILPNQPJRJIFPLC-UHFFFAOYSA-N 0 0 311.411 0.308 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC000888078866 658727157 /nfs/dbraw/zinc/72/71/57/658727157.db2.gz DGSMGVDXZCLDTP-GXTWGEPZSA-N 0 0 320.393 0.482 10 0 DCAERN O=C(CSC(F)(F)F)NCCCN1CCCS1(=O)=O ZINC000725759709 658759424 /nfs/dbraw/zinc/75/94/24/658759424.db2.gz UCMXUAPPXTUKKV-UHFFFAOYSA-N 0 0 320.358 0.781 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1scnc1Cl ZINC000725760055 658761168 /nfs/dbraw/zinc/76/11/68/658761168.db2.gz YRYRACVVCFJAQG-UHFFFAOYSA-N 0 0 323.827 0.952 10 0 DCAERN CC1(C)C(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1(C)C ZINC000177688140 658788853 /nfs/dbraw/zinc/78/88/53/658788853.db2.gz NRFVMRMCPCHKQC-JTQLQIEISA-N 0 0 303.428 0.214 10 0 DCAERN Cn1nnc(COC(=O)c2cc(N)ccc2Br)n1 ZINC000236101898 658807540 /nfs/dbraw/zinc/80/75/40/658807540.db2.gz ZKKOVZYJXWHQAT-UHFFFAOYSA-N 0 0 312.127 0.912 10 0 DCAERN CCC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(=O)[O-] ZINC000262274804 658929386 /nfs/dbraw/zinc/92/93/86/658929386.db2.gz JFNDVSLZWMWSEQ-ZDUSSCGKSA-N 0 0 320.393 0.817 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nccn2C)nn1C ZINC000135838039 659415311 /nfs/dbraw/zinc/41/53/11/659415311.db2.gz CVXRLGRHBLRSCZ-DTWKUNHWSA-N 0 0 303.322 0.568 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2c3ccccc3C(=O)C2=O)C1 ZINC000124059914 659623497 /nfs/dbraw/zinc/62/34/97/659623497.db2.gz MCWJNVOJSLDMCQ-GFCCVEGCSA-N 0 0 301.346 0.774 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2c3ccccc3C(=O)C2=O)C1 ZINC000124060132 659623820 /nfs/dbraw/zinc/62/38/20/659623820.db2.gz MCWJNVOJSLDMCQ-LBPRGKRZSA-N 0 0 301.346 0.774 10 0 DCAERN C[C@H](CNC(=O)NCCCn1ccnn1)CC1(C)OCCO1 ZINC000181978211 665702595 /nfs/dbraw/zinc/70/25/95/665702595.db2.gz SWYPUCNWVCBTDV-LBPRGKRZSA-N 0 0 311.386 0.757 10 0 DCAERN Cc1ccc(-c2noc(C[C@H]3CS(=O)(=O)CCN3)n2)cc1 ZINC000126116707 661437729 /nfs/dbraw/zinc/43/77/29/661437729.db2.gz IJMVTOLDJPYCIA-LBPRGKRZSA-N 0 0 307.375 0.974 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)c1ccccc1 ZINC000338934201 661808113 /nfs/dbraw/zinc/80/81/13/661808113.db2.gz PXERGQFRAXFXJE-CYBMUJFWSA-N 0 0 321.402 0.454 10 0 DCAERN COC(=O)c1nc(N2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)ccc1C ZINC000894311427 661855424 /nfs/dbraw/zinc/85/54/24/661855424.db2.gz URINSJKYFDOHKV-CMPLNLGQSA-N 0 0 317.349 0.914 10 0 DCAERN NCc1nc(CN2CCOC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000262179567 662149206 /nfs/dbraw/zinc/14/92/06/662149206.db2.gz INVQWFLWTNNQBI-WDEREUQCSA-N 0 0 324.406 0.914 10 0 DCAERN C/C=C/C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000727865357 662257320 /nfs/dbraw/zinc/25/73/20/662257320.db2.gz RFVCBODSWNDJND-ZZXKWVIFSA-N 0 0 323.418 0.819 10 0 DCAERN O=C(NCCS(=O)(=O)N1CCCC1)C1CCC(=O)CC1 ZINC000721871671 662738466 /nfs/dbraw/zinc/73/84/66/662738466.db2.gz VWJKTDUQQJNXGE-UHFFFAOYSA-N 0 0 302.396 0.288 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCO[C@H](C)C1 ZINC000067652587 662829162 /nfs/dbraw/zinc/82/91/62/662829162.db2.gz PLTUANHBQXAMTL-ZIAGYGMSSA-N 0 0 311.426 0.567 10 0 DCAERN CC(C)[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)C ZINC000729701165 662907815 /nfs/dbraw/zinc/90/78/15/662907815.db2.gz YDUSKZJRYTUZCF-CMPLNLGQSA-N 0 0 305.396 0.467 10 0 DCAERN C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1C ZINC000042209178 663140954 /nfs/dbraw/zinc/14/09/54/663140954.db2.gz QLZRTBKOILATIR-GFCCVEGCSA-N 0 0 302.330 0.406 10 0 DCAERN C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H](C)O ZINC000346446464 663194096 /nfs/dbraw/zinc/19/40/96/663194096.db2.gz CZXXLRPNSLNZAL-SFYZADRCSA-N 0 0 303.156 0.496 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCCNC(=O)c2cccnc2)[nH]1 ZINC000436089963 663415311 /nfs/dbraw/zinc/41/53/11/663415311.db2.gz QONRXAZNDULTFW-UHFFFAOYSA-N 0 0 324.344 0.821 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000075529746 663492255 /nfs/dbraw/zinc/49/22/55/663492255.db2.gz AZZMIEKIYQTFQL-KOLCDFICSA-N 0 0 307.375 0.640 10 0 DCAERN C[C@@H](NC(=O)CCNC(=O)CO)c1ccc2c(c1)OCCO2 ZINC000905282687 663544849 /nfs/dbraw/zinc/54/48/49/663544849.db2.gz DFGALLPZDWONKP-SNVBAGLBSA-N 0 0 308.334 0.134 10 0 DCAERN CNc1snc(C)c1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909159127 663782600 /nfs/dbraw/zinc/78/26/00/663782600.db2.gz CJPVVUGMDIPKJB-FXPVBKGRSA-N 0 0 307.379 0.794 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)[C@H]1OCCc2ccccc21 ZINC000909165158 663785056 /nfs/dbraw/zinc/78/50/56/663785056.db2.gz BWQBBZXFAIKCLT-UGUYLWEFSA-N 0 0 313.357 0.988 10 0 DCAERN Cn1nc2c(c1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)CCCC2 ZINC000909171062 663785638 /nfs/dbraw/zinc/78/56/38/663785638.db2.gz ATABAUSSSVLBPG-UMVBOHGHSA-N 0 0 315.377 0.600 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cn1 ZINC000163625150 664241082 /nfs/dbraw/zinc/24/10/82/664241082.db2.gz ZZQXGMAMJJQINW-MNOVXSKESA-N 0 0 321.381 0.344 10 0 DCAERN CC[C@@]1(C(C)C)NC(=O)N(CN2CCC[C@H](NC(C)=O)C2)C1=O ZINC000151407648 664330894 /nfs/dbraw/zinc/33/08/94/664330894.db2.gz ZIHRGJICIFZTDK-BBRMVZONSA-N 0 0 324.425 0.901 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000164107397 664366517 /nfs/dbraw/zinc/36/65/17/664366517.db2.gz LYJUZNILDWNAJQ-NSHDSACASA-N 0 0 302.400 0.026 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222651329 664385603 /nfs/dbraw/zinc/38/56/03/664385603.db2.gz WXZRYHIHAZYNCB-HNNXBMFYSA-N 0 0 316.405 0.691 10 0 DCAERN CC(=O)CCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000058703217 664505127 /nfs/dbraw/zinc/50/51/27/664505127.db2.gz PGIAGHNZOCELCL-UHFFFAOYSA-N 0 0 304.302 0.602 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@@H](C)O1 ZINC000157922868 664515279 /nfs/dbraw/zinc/51/52/79/664515279.db2.gz GSCMQUQAYKWERJ-XCBNKYQSSA-N 0 0 316.741 0.968 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2F)C[C@@H]1C ZINC000227814861 664539179 /nfs/dbraw/zinc/53/91/79/664539179.db2.gz DSBTYFGDRDGPPZ-WCBMZHEXSA-N 0 0 316.354 0.838 10 0 DCAERN CCN(C(=O)[C@@H]1CNC(=O)C1)S(=O)(=O)c1ccc(C)cc1 ZINC000171480928 664608978 /nfs/dbraw/zinc/60/89/78/664608978.db2.gz NQEPITHMCJUCCV-NSHDSACASA-N 0 0 310.375 0.668 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)NCCCc1cccc(F)c1 ZINC000173133596 664627304 /nfs/dbraw/zinc/62/73/04/664627304.db2.gz JADRMBQOEACUCX-UHFFFAOYSA-N 0 0 323.411 0.722 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCOC(C)(C)C)c(=O)n(C)c1=O ZINC000063953794 664638728 /nfs/dbraw/zinc/63/87/28/664638728.db2.gz JSBQOSIIXGWKCT-VOTSOKGWSA-N 0 0 310.350 0.456 10 0 DCAERN O=C(Nc1cnc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000088448166 664670562 /nfs/dbraw/zinc/67/05/62/664670562.db2.gz OTBSSNMTLUQYME-ZCFIWIBFSA-N 0 0 320.168 0.612 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCCC[C@H]1C ZINC000730307794 664682142 /nfs/dbraw/zinc/68/21/42/664682142.db2.gz CRTCQQMXMCFLAK-ZYHUDNBSSA-N 0 0 314.407 0.852 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CSC(=O)N2)CCN1CC(F)F ZINC000245747244 664753048 /nfs/dbraw/zinc/75/30/48/664753048.db2.gz NDOYEJLBKSGZDH-RKDXNWHRSA-N 0 0 307.366 0.999 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC000351024074 664757846 /nfs/dbraw/zinc/75/78/46/664757846.db2.gz COINKHFGUHZRTP-LSDHHAIUSA-N 0 0 322.430 0.970 10 0 DCAERN C[C@H](OC(=O)Cn1ncc2ccccc21)C(=O)N1CCOCC1 ZINC000730638480 664798894 /nfs/dbraw/zinc/79/88/94/664798894.db2.gz LGIDJJUSDGWFAQ-LBPRGKRZSA-N 0 0 317.345 0.827 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)C1=COCCC1 ZINC000730850488 664820432 /nfs/dbraw/zinc/82/04/32/664820432.db2.gz GMZUCLVUQOHSCZ-GFCCVEGCSA-N 0 0 313.350 0.928 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000193411800 664873636 /nfs/dbraw/zinc/87/36/36/664873636.db2.gz JORYKJDSLMGAKA-ZDUSSCGKSA-N 0 0 322.409 0.799 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@H](O)C(C)(C)C ZINC000324460760 664970231 /nfs/dbraw/zinc/97/02/31/664970231.db2.gz YBXSVGSHONJRIO-LURJTMIESA-N 0 0 305.176 0.714 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 ZINC000153775340 665053115 /nfs/dbraw/zinc/05/31/15/665053115.db2.gz AGYKDVTVNKNNTG-HNNXBMFYSA-N 0 0 320.349 0.849 10 0 DCAERN CN(C)c1cc(C(=O)NCCNS(C)(=O)=O)cc(Cl)n1 ZINC000733128624 665075833 /nfs/dbraw/zinc/07/58/33/665075833.db2.gz QKRYUNSDEOUMOL-UHFFFAOYSA-N 0 0 320.802 0.080 10 0 DCAERN C[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CCC1 ZINC000175212208 665316493 /nfs/dbraw/zinc/31/64/93/665316493.db2.gz RQQJDABHWOQUHD-QMMMGPOBSA-N 0 0 320.349 0.614 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(F)F ZINC000064607800 665324452 /nfs/dbraw/zinc/32/44/52/665324452.db2.gz DJKUFOGIKFGXRE-SSDOTTSWSA-N 0 0 318.301 0.922 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000733180514 665339603 /nfs/dbraw/zinc/33/96/03/665339603.db2.gz YYHDZXFESKWRJN-CYBMUJFWSA-N 0 0 321.402 0.814 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H](O)c1ccc(F)cc1 ZINC000183571666 666069769 /nfs/dbraw/zinc/06/97/69/666069769.db2.gz UWLVUSQNAYSFJQ-CYBMUJFWSA-N 0 0 307.329 0.840 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N(C)CCS(C)(=O)=O)C(C)C ZINC000076212812 666107219 /nfs/dbraw/zinc/10/72/19/666107219.db2.gz IRDGWTXSLJVMSV-ZDUSSCGKSA-N 0 0 320.455 0.676 10 0 DCAERN COc1cc(N2CCN(C(=O)C3=CCCCO3)CC2)ncn1 ZINC000183840835 666124132 /nfs/dbraw/zinc/12/41/32/666124132.db2.gz WRDQHMVQSHTEKP-UHFFFAOYSA-N 0 0 304.350 0.828 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000733878056 666823335 /nfs/dbraw/zinc/82/33/35/666823335.db2.gz FBHHMXKNWYTYHW-YUNKPMOVSA-N 0 0 300.424 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000733961010 666832341 /nfs/dbraw/zinc/83/23/41/666832341.db2.gz QAYULKCRHYRLDC-FHZGZLOMSA-N 0 0 314.329 0.282 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1cc(Br)cn1 ZINC000733964546 666832795 /nfs/dbraw/zinc/83/27/95/666832795.db2.gz PZZXPNGGCIXAJN-MRXNPFEDSA-N 0 0 308.201 0.530 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)OCC(F)(F)F ZINC000733964645 666833113 /nfs/dbraw/zinc/83/31/13/666833113.db2.gz RYVJKGYTDHUMDR-IBGZPJMESA-N 0 0 304.290 0.160 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000733964809 666833245 /nfs/dbraw/zinc/83/32/45/666833245.db2.gz BINUDZFQEFFMCF-PEBXRYMYSA-N 0 0 322.430 0.920 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cnc2cc(C)ccn2c1=O ZINC000733969066 666833629 /nfs/dbraw/zinc/83/36/29/666833629.db2.gz UOUMTHAGGFGWMT-NRFANRHFSA-N 0 0 307.375 0.501 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N[C@@H](CO)C1CC1 ZINC000734230603 666858867 /nfs/dbraw/zinc/85/88/67/666858867.db2.gz WXYORIRWHZOOIJ-ZDUSSCGKSA-N 0 0 318.377 0.507 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cccc(COC)c1 ZINC000735081384 666948383 /nfs/dbraw/zinc/94/83/83/666948383.db2.gz QISBOINURSEDQP-GOSISDBHSA-N 0 0 305.421 0.880 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCC(=O)NC1CCCCC1 ZINC000735094978 666951238 /nfs/dbraw/zinc/95/12/38/666951238.db2.gz QZVWFNRVEWORQU-NRFANRHFSA-N 0 0 317.455 0.893 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(=O)N1CCc2ccccc21 ZINC000735097456 666951872 /nfs/dbraw/zinc/95/18/72/666951872.db2.gz SLVFTCLPAJTKKD-QFIPXVFZSA-N 0 0 323.418 0.644 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000735112419 666954898 /nfs/dbraw/zinc/95/48/98/666954898.db2.gz VLCCOKIZSAUGAE-QKVFXAPYSA-N 0 0 310.423 0.710 10 0 DCAERN CO[C@](C)(CO)CNC(=O)c1ccnc(Br)c1 ZINC000702516581 666964262 /nfs/dbraw/zinc/96/42/62/666964262.db2.gz DKLPVOZHOPKTMJ-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN CO[C@](C)(CO)CNS(=O)(=O)c1ccc(Cl)nc1C ZINC000702556987 666969032 /nfs/dbraw/zinc/96/90/32/666969032.db2.gz VEVRNTBXIBFFSQ-NSHDSACASA-N 0 0 308.787 0.719 10 0 DCAERN CC(C)OCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702811439 666998716 /nfs/dbraw/zinc/99/87/16/666998716.db2.gz AICRGXMPBRAPAU-RYUDHWBXSA-N 0 0 316.398 0.755 10 0 DCAERN CO[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815832 666998906 /nfs/dbraw/zinc/99/89/06/666998906.db2.gz UJNXENSVSWFUQW-VWYCJHECSA-N 0 0 302.371 0.365 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC000702817679 666999484 /nfs/dbraw/zinc/99/94/84/666999484.db2.gz UCLHJVDZWRLWIQ-SRVKXCTJSA-N 0 0 314.382 0.509 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)OCc2nonc2C)c1 ZINC000735900482 667058690 /nfs/dbraw/zinc/05/86/90/667058690.db2.gz HOLOTYFKYFJRKD-UHFFFAOYSA-N 0 0 311.319 0.643 10 0 DCAERN CCc1c(Cl)ncnc1N1CC[C@H](NS(C)(=O)=O)C1 ZINC000703164418 667063990 /nfs/dbraw/zinc/06/39/90/667063990.db2.gz WBKCRORVHNKDNO-QMMMGPOBSA-N 0 0 304.803 0.820 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)nc1F ZINC000703178613 667065094 /nfs/dbraw/zinc/06/50/94/667065094.db2.gz KLUMZTSDPLAFSN-BQBZGAKWSA-N 0 0 321.761 0.820 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C2CCC(O)CC2)cn1 ZINC000862922872 667092528 /nfs/dbraw/zinc/09/25/28/667092528.db2.gz NDUSGYIGEDLGCR-DZYMPVBWSA-N 0 0 309.366 0.234 10 0 DCAERN CCOC(=O)C(=O)N1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000736130531 667106096 /nfs/dbraw/zinc/10/60/96/667106096.db2.gz FNXXWSLGAJBBPV-UHFFFAOYSA-N 0 0 307.350 0.479 10 0 DCAERN CCC[C@@H](CNC(=O)C[C@@H]1CS(=O)(=O)CCN1)OCC ZINC000705386434 667306896 /nfs/dbraw/zinc/30/68/96/667306896.db2.gz ITALXJGRYPFWFG-NEPJUHHUSA-N 0 0 306.428 0.085 10 0 DCAERN Cn1nccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705779429 667375956 /nfs/dbraw/zinc/37/59/56/667375956.db2.gz NEGUXHVNZOONCI-CMPLNLGQSA-N 0 0 324.381 0.378 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057143 667430817 /nfs/dbraw/zinc/43/08/17/667430817.db2.gz QHJQQWOQONVGLA-BDAKNGLRSA-N 0 0 310.734 0.302 10 0 DCAERN CS[C@@H]1CCCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000707291503 667437810 /nfs/dbraw/zinc/43/78/10/667437810.db2.gz WWMUYWGYFWDXBH-SECBINFHSA-N 0 0 302.425 0.965 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2cnn(C)c2Br)C1=O ZINC000709096436 667443973 /nfs/dbraw/zinc/44/39/73/667443973.db2.gz OBNQOKUWILZGDM-MRVPVSSYSA-N 0 0 315.171 0.533 10 0 DCAERN Cc1ncc(S(=O)(=O)N2CCNC(=O)CC2(C)C)s1 ZINC000708145159 667442093 /nfs/dbraw/zinc/44/20/93/667442093.db2.gz SBFZHOJYABQDCY-UHFFFAOYSA-N 0 0 303.409 0.741 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708239325 667442258 /nfs/dbraw/zinc/44/22/58/667442258.db2.gz UGTJNRYQOJHYLR-VIFPVBQESA-N 0 0 304.368 0.258 10 0 DCAERN CC(C)(CNS(C)(=O)=O)Nc1ncc(Br)cn1 ZINC000708276875 667442528 /nfs/dbraw/zinc/44/25/28/667442528.db2.gz YADQSMJXVDXQBG-UHFFFAOYSA-N 0 0 323.216 0.979 10 0 DCAERN CCN1CC[C@H](NC(=O)c2cnn(C)c2Br)C1=O ZINC000709096438 667443995 /nfs/dbraw/zinc/44/39/95/667443995.db2.gz OBNQOKUWILZGDM-QMMMGPOBSA-N 0 0 315.171 0.533 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N(C)[C@@H](C)C(N)=O ZINC000711149674 667451029 /nfs/dbraw/zinc/45/10/29/667451029.db2.gz UROPIEWBHGJSMW-ZETCQYMHSA-N 0 0 320.392 0.337 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(Cn3nc4cnccn4c3=O)[C@@H]2C1 ZINC000133971047 667498123 /nfs/dbraw/zinc/49/81/23/667498123.db2.gz QZOHYFNODGQIFF-JHJVBQTASA-N 0 0 319.365 0.117 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 ZINC000134729831 667551427 /nfs/dbraw/zinc/55/14/27/667551427.db2.gz IXZSSXYTLHNXNN-LJQANCHMSA-N 0 0 319.404 0.059 10 0 DCAERN N#Cc1ccc(C2(C(=O)OCC(=O)N3CCOCC3)CC2)cc1 ZINC000187184054 667557369 /nfs/dbraw/zinc/55/73/69/667557369.db2.gz JQMBHSKKPNYINL-UHFFFAOYSA-N 0 0 314.341 0.992 10 0 DCAERN COc1ccnc(N2CCC[C@@](O)(Cc3nc(C)no3)C2)n1 ZINC000886027152 667725606 /nfs/dbraw/zinc/72/56/06/667725606.db2.gz JUDYALBRIJCPNL-CQSZACIVSA-N 0 0 305.338 0.751 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCn3ccnc3C2)C1=O ZINC000886075329 667729285 /nfs/dbraw/zinc/72/92/85/667729285.db2.gz JEBLEXLFVRCOSM-GFCCVEGCSA-N 0 0 306.366 0.253 10 0 DCAERN CCn1ncc(CN2CCC[C@@](O)(Cc3nc(C)no3)C2)n1 ZINC000886091753 667730715 /nfs/dbraw/zinc/73/07/15/667730715.db2.gz PZRGIOMZXDZYNE-CQSZACIVSA-N 0 0 306.370 0.559 10 0 DCAERN CO[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1c1cn(C)nn1 ZINC000886094267 667731440 /nfs/dbraw/zinc/73/14/40/667731440.db2.gz ZILKVMGBZKTJTI-TVQRCGJNSA-N 0 0 310.789 0.816 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)o1 ZINC000886096955 667732340 /nfs/dbraw/zinc/73/23/40/667732340.db2.gz SVNSQTIWPXBEHP-INIZCTEOSA-N 0 0 321.377 0.299 10 0 DCAERN Cn1ncc(C(=O)NCC[C@H](O)C(F)F)c1Br ZINC000717365938 667733470 /nfs/dbraw/zinc/73/34/70/667733470.db2.gz PGOKNYMCUSIMLY-LURJTMIESA-N 0 0 312.114 0.929 10 0 DCAERN CS(=O)(=O)CCn1ccc(NC(=O)Cc2cccc(O)c2)n1 ZINC000741300732 667766739 /nfs/dbraw/zinc/76/67/39/667766739.db2.gz LEGSGCCQLSXVDR-UHFFFAOYSA-N 0 0 323.374 0.815 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000741421953 667770969 /nfs/dbraw/zinc/77/09/69/667770969.db2.gz SELJFABNDBKRQS-FIKIJFGZSA-N 0 0 316.423 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000743168181 667804480 /nfs/dbraw/zinc/80/44/80/667804480.db2.gz BKMVJWATDPERMM-OAQYLSRUSA-N 0 0 312.395 0.674 10 0 DCAERN NC(=O)CCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555840 667870279 /nfs/dbraw/zinc/87/02/79/667870279.db2.gz PPCRIQMFFJSJEE-UHFFFAOYSA-N 0 0 302.743 0.141 10 0 DCAERN CCN1C[C@H](COC(=O)Cn2c(C)c(C)sc2=O)CC1=O ZINC000124232575 667934990 /nfs/dbraw/zinc/93/49/90/667934990.db2.gz ZFQHCXFIUISXRE-LLVKDONJSA-N 0 0 312.391 0.938 10 0 DCAERN NC(=O)C1(NS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000124658127 668110307 /nfs/dbraw/zinc/11/03/07/668110307.db2.gz QEQGXEOBCMTJDY-UHFFFAOYSA-N 0 0 314.754 0.284 10 0 DCAERN O=C(OC[C@@H]1CCC(=O)N1)c1ccc(-n2cnnn2)cc1Cl ZINC000105513108 668126815 /nfs/dbraw/zinc/12/68/15/668126815.db2.gz KLIYERQJVWSHPU-QMMMGPOBSA-N 0 0 321.724 0.751 10 0 DCAERN COC(=O)[C@H](CO)NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209296604 668188580 /nfs/dbraw/zinc/18/85/80/668188580.db2.gz AZOHESWTZINWRJ-ZADCQDASSA-N 0 0 319.766 0.764 10 0 DCAERN C[C@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCN1CCO ZINC000187298542 668250922 /nfs/dbraw/zinc/25/09/22/668250922.db2.gz MIUYZYHMMHWSCR-YOEHRIQHSA-N 0 0 306.406 0.809 10 0 DCAERN CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126534120 668621905 /nfs/dbraw/zinc/62/19/05/668621905.db2.gz ZNJDRIBOBWTDRW-UPJWGTAASA-N 0 0 302.440 0.848 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1ccc2c[nH]nc2c1 ZINC000126542146 668621994 /nfs/dbraw/zinc/62/19/94/668621994.db2.gz YFSNBSLGZQCYDY-NSHDSACASA-N 0 0 308.363 0.278 10 0 DCAERN CN(C)c1ccccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126540786 668622223 /nfs/dbraw/zinc/62/22/23/668622223.db2.gz IECKOHZQWQSRJG-NSHDSACASA-N 0 0 311.407 0.468 10 0 DCAERN Cc1cccc(CCNC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126730671 668651982 /nfs/dbraw/zinc/65/19/82/668651982.db2.gz VTCXENFLEYIGHT-CQSZACIVSA-N 0 0 310.419 0.430 10 0 DCAERN Cn1cc([C@@]2(C)NC(=O)N(CC3(O)CCCCC3)C2=O)cn1 ZINC000127856888 669068607 /nfs/dbraw/zinc/06/86/07/669068607.db2.gz VYJYJKFWJSJMOP-CQSZACIVSA-N 0 0 306.366 0.882 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(C)[C@H](CO)C1 ZINC000931412492 669199247 /nfs/dbraw/zinc/19/92/47/669199247.db2.gz HZYFUCZLXUOCKK-LZWOXQAQSA-N 0 0 305.422 0.861 10 0 DCAERN CC(C)(C)SCC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000129357486 669425494 /nfs/dbraw/zinc/42/54/94/669425494.db2.gz NTRQDPVTAVHCPD-JTQLQIEISA-N 0 0 308.469 0.916 10 0 DCAERN CC(C)n1nnnc1CN(CCS(C)(=O)=O)C(C)(C)C ZINC000131571283 669673419 /nfs/dbraw/zinc/67/34/19/669673419.db2.gz MUUMKJBHXSFMDS-UHFFFAOYSA-N 0 0 303.432 0.899 10 0 DCAERN C[C@H](O)C(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000132625047 669735478 /nfs/dbraw/zinc/73/54/78/669735478.db2.gz WYJHNCSXAAGAMS-WHGQRRHOSA-N 0 0 324.402 0.512 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)OCC(=O)C1CC1 ZINC000132650184 669737949 /nfs/dbraw/zinc/73/79/49/669737949.db2.gz NBMBCHDZUVJZMF-UHFFFAOYSA-N 0 0 303.362 0.726 10 0 DCAERN CS(=O)(=O)CCC(=O)Nc1cnc(Br)cn1 ZINC000132795887 669747501 /nfs/dbraw/zinc/74/75/01/669747501.db2.gz NTUFYSHZLNQTON-UHFFFAOYSA-N 0 0 308.157 0.612 10 0 DCAERN O=C(N[C@H]1COCCC1=O)c1ncsc1Br ZINC000717178174 669747855 /nfs/dbraw/zinc/74/78/55/669747855.db2.gz QIZCKMNUKGJDFR-YFKPBYRVSA-N 0 0 305.153 0.993 10 0 DCAERN COc1cccc(CNC(=O)C(=O)Nc2ccc(F)nc2)n1 ZINC000157514639 669922227 /nfs/dbraw/zinc/92/22/27/669922227.db2.gz ZJGWJRGKAAIBQK-UHFFFAOYSA-N 0 0 304.281 0.879 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cn1 ZINC000158288010 669924237 /nfs/dbraw/zinc/92/42/37/669924237.db2.gz QIFGMKHUQBCUEG-DGCLKSJQSA-N 0 0 308.382 0.899 10 0 DCAERN Cc1cc(C)n(CCOC(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000188225302 669991902 /nfs/dbraw/zinc/99/19/02/669991902.db2.gz YMJAMCYESGTWDF-UHFFFAOYSA-N 0 0 313.317 0.988 10 0 DCAERN COC[C@@]1(C)CC(=O)N(CN2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000191422290 670021611 /nfs/dbraw/zinc/02/16/11/670021611.db2.gz NVVCASQCUDCNCP-NWDGAFQWSA-N 0 0 310.316 0.828 10 0 DCAERN COC(=O)c1cn(CN(C)Cc2nccn2C(F)F)nn1 ZINC000075666277 670040597 /nfs/dbraw/zinc/04/05/97/670040597.db2.gz FIYYVKAXQAZKSJ-UHFFFAOYSA-N 0 0 300.269 0.746 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CCS(C)(=O)=O ZINC000076554387 670146485 /nfs/dbraw/zinc/14/64/85/670146485.db2.gz FJURYDCWNZCDPQ-LBPRGKRZSA-N 0 0 307.460 0.649 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000078999592 670149032 /nfs/dbraw/zinc/14/90/32/670149032.db2.gz NRJNOSOMLVJKKV-UHFFFAOYSA-N 0 0 301.456 0.798 10 0 DCAERN Cn1cc(CN[C@H]2CCC(=O)N(C)C2=O)c(Br)n1 ZINC000712463618 670149632 /nfs/dbraw/zinc/14/96/32/670149632.db2.gz SXCFVYBMTVXXQQ-QMMMGPOBSA-N 0 0 315.171 0.420 10 0 DCAERN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000192434514 670165302 /nfs/dbraw/zinc/16/53/02/670165302.db2.gz KZZLDBXLIWYAAS-SECBINFHSA-N 0 0 322.321 0.979 10 0 DCAERN Cn1cc(CN2CCC(=O)N(C)CC2)c(Br)n1 ZINC000713851138 670170986 /nfs/dbraw/zinc/17/09/86/670170986.db2.gz CGPCSOWTYVIVDF-UHFFFAOYSA-N 0 0 301.188 0.847 10 0 DCAERN CN(CCS(C)(=O)=O)Cc1cn(C)nc1Br ZINC000713868337 670171150 /nfs/dbraw/zinc/17/11/50/670171150.db2.gz YFYCFZUFRKYPJP-UHFFFAOYSA-N 0 0 310.217 0.659 10 0 DCAERN CC(C)(C)OC(=O)CCC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714250571 670182998 /nfs/dbraw/zinc/18/29/98/670182998.db2.gz PWSUYSPINCRNSB-MGCOHNPYSA-N 0 0 305.396 0.800 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000714292058 670183367 /nfs/dbraw/zinc/18/33/67/670183367.db2.gz RRDMZOJGYSDEIH-UHFFFAOYSA-N 0 0 321.761 0.359 10 0 DCAERN CCOC(=O)c1ncc(CN2CC(O)(C(=O)OC)C2)s1 ZINC000714456112 670188575 /nfs/dbraw/zinc/18/85/75/670188575.db2.gz DIAKEQNXTMMKQM-UHFFFAOYSA-N 0 0 300.336 0.040 10 0 DCAERN O=C(NCc1ncc(Br)s1)[C@H]1COCCO1 ZINC000714657060 670192557 /nfs/dbraw/zinc/19/25/57/670192557.db2.gz LETZHHICEHAEPX-ZCFIWIBFSA-N 0 0 307.169 0.937 10 0 DCAERN CCO[C@@H]1C[C@@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000193123037 670240822 /nfs/dbraw/zinc/24/08/22/670240822.db2.gz WDGBSBFRMZIYGU-ZWNOBZJWSA-N 0 0 318.329 0.658 10 0 DCAERN CCN1CN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1=O ZINC000190515866 670455865 /nfs/dbraw/zinc/45/58/65/670455865.db2.gz XQPIQMPEEQZSJR-UHFFFAOYSA-N 0 0 316.313 0.820 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)N1CCOCC1 ZINC000195005459 670463488 /nfs/dbraw/zinc/46/34/88/670463488.db2.gz OJAVBAITUWUPBP-OAHLLOKOSA-N 0 0 308.378 0.948 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)Nc1cccnc1Cl ZINC000009993862 670678186 /nfs/dbraw/zinc/67/81/86/670678186.db2.gz LJGMFOQHVHAGSE-UHFFFAOYSA-N 0 0 324.768 0.802 10 0 DCAERN Cn1cc([C@@H]2CCN(Cn3nnc4ccccc4c3=O)C2)cn1 ZINC000116257835 671030340 /nfs/dbraw/zinc/03/03/40/671030340.db2.gz PCOGZLRCNCEADX-GFCCVEGCSA-N 0 0 310.361 0.972 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000116892131 671137038 /nfs/dbraw/zinc/13/70/38/671137038.db2.gz RKYLTFITBHIGKE-STQMWFEESA-N 0 0 318.826 0.997 10 0 DCAERN COC[C@]1(C(N)=O)CCCN1C(=O)[C@@H](C)c1cccc(O)c1 ZINC000823330946 671387110 /nfs/dbraw/zinc/38/71/10/671387110.db2.gz MEPOSFIQGUVLEX-ZBEGNZNMSA-N 0 0 306.362 0.989 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CCS(C)(=O)=O)CC1 ZINC000105903369 672247882 /nfs/dbraw/zinc/24/78/82/672247882.db2.gz VKEQDIBWXCYHOQ-UHFFFAOYSA-N 0 0 314.455 0.199 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000388935535 685256008 /nfs/dbraw/zinc/25/60/08/685256008.db2.gz MKBVBANHSRGCSM-VHSXEESVSA-N 0 0 307.437 0.279 10 0 DCAERN Cn1cc(Cl)c(CNc2nc(N)nc(C(F)(F)F)n2)n1 ZINC000393632962 685264491 /nfs/dbraw/zinc/26/44/91/685264491.db2.gz RMABYUBFWADOKN-UHFFFAOYSA-N 0 0 307.667 0.724 10 0 DCAERN C[C@H](CNC(=O)c1cccc(Br)n1)S(N)(=O)=O ZINC000398266683 685274263 /nfs/dbraw/zinc/27/42/63/685274263.db2.gz FBWJGCGQWSMIQF-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000719030670 685307620 /nfs/dbraw/zinc/30/76/20/685307620.db2.gz MUKNIWFKSCSFEC-UHFFFAOYSA-N 0 0 323.411 0.063 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000719090556 685308394 /nfs/dbraw/zinc/30/83/94/685308394.db2.gz UZPAFEKUZRHUAH-LBPRGKRZSA-N 0 0 301.412 0.471 10 0 DCAERN CO[C@]1(CNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000720867559 685316517 /nfs/dbraw/zinc/31/65/17/685316517.db2.gz XSBZXOKRKHZYEZ-LBPRGKRZSA-N 0 0 319.404 0.169 10 0 DCAERN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1cn(C)nn1 ZINC000720538069 685313760 /nfs/dbraw/zinc/31/37/60/685313760.db2.gz YBNRMHIZMFNPHT-ZCFIWIBFSA-N 0 0 313.159 0.844 10 0 DCAERN CCCC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)C(=O)OC ZINC000720869070 685316655 /nfs/dbraw/zinc/31/66/55/685316655.db2.gz DUTBYMVVOAIIJE-YPMHNXCESA-N 0 0 307.412 0.512 10 0 DCAERN CO[C@]1(CNC(=O)NCc2ccccc2)CCS(=O)(=O)C1 ZINC000720913154 685317167 /nfs/dbraw/zinc/31/71/67/685317167.db2.gz COMPVAAQXJZXIB-AWEZNQCLSA-N 0 0 312.391 0.690 10 0 DCAERN CCc1ncnc(NC[C@]2(OC)CCS(=O)(=O)C2)c1F ZINC000721217940 685318089 /nfs/dbraw/zinc/31/80/89/685318089.db2.gz ADOKQJLWZCNHCH-GFCCVEGCSA-N 0 0 303.359 0.794 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@H]2CNOC2)cc1 ZINC000722501778 685319878 /nfs/dbraw/zinc/31/98/78/685319878.db2.gz SRCGWDGYNNNKJE-JTQLQIEISA-N 0 0 300.336 0.045 10 0 DCAERN Cc1nc(CN(C)CC(=O)NCC(=O)N2CCCC2)cs1 ZINC000065300975 685062918 /nfs/dbraw/zinc/06/29/18/685062918.db2.gz XYEHIGGLIBUUDY-UHFFFAOYSA-N 0 0 310.423 0.622 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccoc1 ZINC000088805844 685092978 /nfs/dbraw/zinc/09/29/78/685092978.db2.gz SNUXFAAMYTYVST-SECBINFHSA-N 0 0 313.335 0.423 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCNC(=O)CC1CCCC1 ZINC000157867799 685137227 /nfs/dbraw/zinc/13/72/27/685137227.db2.gz XWOPLZXDNHATCC-ZDUSSCGKSA-N 0 0 324.425 0.603 10 0 DCAERN O=C(CNC(=O)N1CCN(Cc2ccon2)CC1)N1CCCC1 ZINC000174751883 685144508 /nfs/dbraw/zinc/14/45/08/685144508.db2.gz QGCUKLAEPAZHHS-UHFFFAOYSA-N 0 0 321.381 0.124 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000249259537 685178327 /nfs/dbraw/zinc/17/83/27/685178327.db2.gz HUJCXIJKXZJMMX-STQMWFEESA-N 0 0 308.382 0.837 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H](O)c2cccc(F)c2)CCN1CCO ZINC000249489534 685180789 /nfs/dbraw/zinc/18/07/89/685180789.db2.gz DTEAFBYLWJLTIW-IUODEOHRSA-N 0 0 310.369 0.774 10 0 DCAERN CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000380288326 685236911 /nfs/dbraw/zinc/23/69/11/685236911.db2.gz RMFUBDNEXKPVPK-UPJWGTAASA-N 0 0 302.440 0.800 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC(CO)C2)c(Br)n1C ZINC000383838565 685243674 /nfs/dbraw/zinc/24/36/74/685243674.db2.gz UULVHASEYSANHX-UHFFFAOYSA-N 0 0 324.200 0.104 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cnc(OC)s1 ZINC000385626815 685247155 /nfs/dbraw/zinc/24/71/55/685247155.db2.gz HXFROUHMCWYZMG-BDAKNGLRSA-N 0 0 306.409 0.933 10 0 DCAERN CNC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000398477452 1158119502 /nfs/dbraw/zinc/11/95/02/1158119502.db2.gz BJRLFKZTKVSUPV-MRVPVSSYSA-N 0 0 314.183 0.996 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1C/C(Cl)=C\Cl ZINC000588551556 1158273800 /nfs/dbraw/zinc/27/38/00/1158273800.db2.gz OXTHABOGBRMYKN-IPWDFOCMSA-N 0 0 302.179 0.577 10 0 DCAERN CC(=O)CC1(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCC1 ZINC000343375123 1158860233 /nfs/dbraw/zinc/86/02/33/1158860233.db2.gz JFOSRTUQVCAXHP-UHFFFAOYSA-N 0 0 321.377 0.773 10 0 DCAERN Cc1c(C(=O)N[C@@H](C)[C@H]2CCCO2)cnn1-c1ccc(=O)[nH]n1 ZINC000027891968 1171415239 /nfs/dbraw/zinc/41/52/39/1171415239.db2.gz DUQHVBKHDPHUMP-JOYOIKCWSA-N 0 0 317.349 0.974 10 0 DCAERN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)cc1F ZINC000043593117 1171547564 /nfs/dbraw/zinc/54/75/64/1171547564.db2.gz GJWUZXFADDWRGG-MRVPVSSYSA-N 0 0 303.359 0.601 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000044890529 1171581295 /nfs/dbraw/zinc/58/12/95/1171581295.db2.gz RTLRGEMBQQJCFW-CQSZACIVSA-N 0 0 313.361 0.701 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCc1nc2ccccc2n1C ZINC000061526262 1172100804 /nfs/dbraw/zinc/10/08/04/1172100804.db2.gz MFERXNASYDEHAX-ZDUSSCGKSA-N 0 0 303.366 0.882 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000067467669 1173775282 /nfs/dbraw/zinc/77/52/82/1173775282.db2.gz RSBIAKHMCPSNMV-LBPRGKRZSA-N 0 0 324.356 0.365 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)cc1 ZINC000070303056 1173813662 /nfs/dbraw/zinc/81/36/62/1173813662.db2.gz PISVYEDHZBISED-LBPRGKRZSA-N 0 0 313.375 0.717 10 0 DCAERN CC[C@H](C)NC(=O)CCNCc1ccc(S(N)(=O)=O)o1 ZINC000088539287 1175267123 /nfs/dbraw/zinc/26/71/23/1175267123.db2.gz MHXSNHMLDQWQOX-VIFPVBQESA-N 0 0 303.384 0.321 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)c1csc([C@H](C)N)n1 ZINC000090949972 1175443156 /nfs/dbraw/zinc/44/31/56/1175443156.db2.gz DEACKWQHDGLMPI-VIFPVBQESA-N 0 0 314.411 0.340 10 0 DCAERN CC(=O)N(C)C1CCN(CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000119820035 1176871923 /nfs/dbraw/zinc/87/19/23/1176871923.db2.gz GTATWZAKAGJQLY-UHFFFAOYSA-N 0 0 321.425 0.321 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1CCc1cccs1 ZINC000132612915 1177524450 /nfs/dbraw/zinc/52/44/50/1177524450.db2.gz ZOHHWHSWCJPKLI-NSHDSACASA-N 0 0 303.405 0.563 10 0 DCAERN CCOc1n[nH]c(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n1 ZINC000228771574 1180398755 /nfs/dbraw/zinc/39/87/55/1180398755.db2.gz WSKYBZPEFPIWDS-SSDOTTSWSA-N 0 0 320.396 0.062 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000152761873 1180545543 /nfs/dbraw/zinc/54/55/43/1180545543.db2.gz MVSRYSCPEJRDOM-CHWSQXEVSA-N 0 0 309.410 0.668 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000153444421 1180548921 /nfs/dbraw/zinc/54/89/21/1180548921.db2.gz GTBUJJDLGAULRY-GFCCVEGCSA-N 0 0 305.378 0.999 10 0 DCAERN CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H](C)CS(C)(=O)=O ZINC000155862914 1180556410 /nfs/dbraw/zinc/55/64/10/1180556410.db2.gz UHILTJZCFSIZMC-QMMMGPOBSA-N 0 0 315.395 0.282 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)OCc1ccccc1 ZINC000156113634 1180556656 /nfs/dbraw/zinc/55/66/56/1180556656.db2.gz CVSAPBLFAMUGPW-UHFFFAOYSA-N 0 0 300.380 0.858 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)CCc2cnn(C)c2)CC1 ZINC000158074038 1180563507 /nfs/dbraw/zinc/56/35/07/1180563507.db2.gz XARHETIEOQYLIZ-UHFFFAOYSA-N 0 0 322.409 0.496 10 0 DCAERN CC(C)CC(=O)NCCNC(=O)CNC(=O)c1ccccc1 ZINC000169834252 1183609308 /nfs/dbraw/zinc/60/93/08/1183609308.db2.gz YTMODHIIZBAOED-UHFFFAOYSA-N 0 0 305.378 0.695 10 0 DCAERN CCCCC(=O)N1CCCN(C(=O)COCCOC)CC1 ZINC000169850609 1183613046 /nfs/dbraw/zinc/61/30/46/1183613046.db2.gz XPVFHWMEKCNWPL-UHFFFAOYSA-N 0 0 300.399 0.901 10 0 DCAERN O=C(Nc1ccc(-n2cncn2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171625574 1183757092 /nfs/dbraw/zinc/75/70/92/1183757092.db2.gz WFVQONLJJWRQRX-LBPRGKRZSA-N 0 0 315.333 0.501 10 0 DCAERN Cc1cc(=O)oc2cc(NC(=O)C(=O)NCC[C@@H](C)O)ccc12 ZINC000172236956 1183825070 /nfs/dbraw/zinc/82/50/70/1183825070.db2.gz NLBIZDWMUZERHP-SNVBAGLBSA-N 0 0 318.329 0.927 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000176631914 1184200712 /nfs/dbraw/zinc/20/07/12/1184200712.db2.gz XEEPKUDAKBCDRM-LLVKDONJSA-N 0 0 318.399 0.473 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000176942712 1184223879 /nfs/dbraw/zinc/22/38/79/1184223879.db2.gz WWDOWFZVRJMAPQ-GJZGRUSLSA-N 0 0 316.361 0.838 10 0 DCAERN Cc1noc([C@@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000179890378 1185168028 /nfs/dbraw/zinc/16/80/28/1185168028.db2.gz LVWXPKOCGNKLSW-CABZTGNLSA-N 0 0 311.386 0.258 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N(C)Cc1ncc(Cl)n1C ZINC000181768920 1185183079 /nfs/dbraw/zinc/18/30/79/1185183079.db2.gz HKJPUXHYICKPPK-JTQLQIEISA-N 0 0 301.778 0.725 10 0 DCAERN CC[N@H+](CCO)CCNC(=O)Cn1c(=O)oc2ccccc21 ZINC000183997965 1185194109 /nfs/dbraw/zinc/19/41/09/1185194109.db2.gz OLNUUNSLTLHUCS-UHFFFAOYSA-N 0 0 307.350 0.025 10 0 DCAERN NC(=O)CC1CCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000188393403 1187649787 /nfs/dbraw/zinc/64/97/87/1187649787.db2.gz ZTVUHVMEXSHBOE-UHFFFAOYSA-N 0 0 315.333 0.046 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)Cn1nnc2ccccc21 ZINC000195419502 1188225100 /nfs/dbraw/zinc/22/51/00/1188225100.db2.gz VKWTXUXHVQBINO-UHFFFAOYSA-N 0 0 303.366 0.710 10 0 DCAERN C[C@H](C[C@H](C)O)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905394 1190385070 /nfs/dbraw/zinc/38/50/70/1190385070.db2.gz ONVFEMFUFHGCIO-BDAKNGLRSA-N 0 0 300.380 0.562 10 0 DCAERN C[C@@H]1[C@H](NC(=O)c2cc(F)c(F)cc2N)CCS1(=O)=O ZINC000313552315 1190395738 /nfs/dbraw/zinc/39/57/38/1190395738.db2.gz OZEIXHZQRWTKKL-KSBSHMNSSA-N 0 0 304.318 0.852 10 0 DCAERN Cn1cnc(CCNS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000313342455 1190396219 /nfs/dbraw/zinc/39/62/19/1190396219.db2.gz AKFCDCAAMBFQQV-UHFFFAOYSA-N 0 0 303.775 0.328 10 0 DCAERN O=S(=O)(N[C@@H]1COC[C@@H]1O)c1cccc2c1N=S=N2 ZINC000323059420 1190445750 /nfs/dbraw/zinc/44/57/50/1190445750.db2.gz KTFJXEZTQAZGSR-SFYZADRCSA-N 0 0 301.349 0.451 10 0 DCAERN CCOCc1nc(Cl)cc(NCCNS(=O)(=O)CC)n1 ZINC000390273261 1190700761 /nfs/dbraw/zinc/70/07/61/1190700761.db2.gz KHSBEDHEFCHCGI-UHFFFAOYSA-N 0 0 322.818 0.440 10 0 DCAERN O=c1ccc(CNS(=O)(=O)c2cccnc2Cl)n[nH]1 ZINC000392785653 1190701179 /nfs/dbraw/zinc/70/11/79/1190701179.db2.gz KYUQWXDFGMMFJZ-UHFFFAOYSA-N 0 0 300.727 0.709 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCNC(=O)[C@@H]1C ZINC000588564383 747444850 /nfs/dbraw/zinc/44/48/50/747444850.db2.gz XSLOZFJWBYHDEU-NEPJUHHUSA-N 0 0 319.409 0.425 10 0 DCAERN COCCCN(CCOC)S(=O)(=O)c1cccnc1F ZINC000401840951 774068930 /nfs/dbraw/zinc/06/89/30/774068930.db2.gz RHZFGUPYEAAKTG-UHFFFAOYSA-N 0 0 306.359 0.894 10 0 DCAERN CC(C)c1nnsc1C(=O)NCCCCS(N)(=O)=O ZINC000311846958 774467129 /nfs/dbraw/zinc/46/71/29/774467129.db2.gz IKMPZKHLCVZGPD-UHFFFAOYSA-N 0 0 306.413 0.460 10 0 DCAERN COC[C@@H](C)NC(=S)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724336047 939297723 /nfs/dbraw/zinc/29/77/23/939297723.db2.gz UBMYSTKTNCTSHT-UBJLHIIHSA-N 0 0 306.453 0.594 10 0 DCAERN O=C(c1ccc(Br)nc1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388137745 948976332 /nfs/dbraw/zinc/97/63/32/948976332.db2.gz YYWIGXOCFKKUAI-OCAPTIKFSA-N 0 0 324.134 0.189 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1cc(F)c(F)c(F)c1F ZINC000700841911 949684130 /nfs/dbraw/zinc/68/41/30/949684130.db2.gz WWFWQKQUMDQRTG-UHFFFAOYSA-N 0 0 300.233 0.261 10 0 DCAERN O=C([O-])CS(=O)(=O)CC[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000691873493 954687898 /nfs/dbraw/zinc/68/78/98/954687898.db2.gz FMYQJKODOUMRMY-LLVKDONJSA-N 0 0 305.396 0.567 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCC[C@H]2CC(=O)[O-])C1 ZINC000690818325 976337957 /nfs/dbraw/zinc/33/79/57/976337957.db2.gz QWMLETUEEKXMEM-RYUDHWBXSA-N 0 0 304.412 0.597 10 0 DCAERN COc1cccc(CS(=O)(=O)N2CCC(C(N)=O)CC2)c1 ZINC000076670410 185031239 /nfs/dbraw/zinc/03/12/39/185031239.db2.gz PQZKHMCEBPIMAQ-UHFFFAOYSA-N 0 0 312.391 0.722 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000077041875 185075582 /nfs/dbraw/zinc/07/55/82/185075582.db2.gz CKBGLUWODBBKFD-WDEREUQCSA-N 0 0 306.366 0.907 10 0 DCAERN O=S(=O)(c1c[nH]cn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000328613580 231245796 /nfs/dbraw/zinc/24/57/96/231245796.db2.gz SKYGSWDBYFOJOH-QWRGUYRKSA-N 0 0 313.404 0.868 10 0 DCAERN CCc1cccc(C)c1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092421596 185317220 /nfs/dbraw/zinc/31/72/20/185317220.db2.gz FTEDUBAJKIBRLK-ZDUSSCGKSA-N 0 0 305.378 0.682 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000181410752 199292823 /nfs/dbraw/zinc/29/28/23/199292823.db2.gz QCGLWGMBPFHNHD-PWSUYJOCSA-N 0 0 304.389 0.235 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)CC2 ZINC000187115373 529751308 /nfs/dbraw/zinc/75/13/08/529751308.db2.gz GSOAVAUXGKYUNA-WDEREUQCSA-N 0 0 320.397 0.027 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)c1cccc(CN2CCCC2=O)c1 ZINC000182938393 199513013 /nfs/dbraw/zinc/51/30/13/199513013.db2.gz ZGCMFHOPMMJBSA-KRWDZBQOSA-N 0 0 318.373 0.690 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000183041487 199526761 /nfs/dbraw/zinc/52/67/61/199526761.db2.gz GHXBLHBTEPYAIC-JTQLQIEISA-N 0 0 309.391 0.596 10 0 DCAERN CNC(=O)C1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1 ZINC000193297690 529843116 /nfs/dbraw/zinc/84/31/16/529843116.db2.gz CGNYZERMZMGBQG-UHFFFAOYSA-N 0 0 300.318 0.311 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)NC1CCCCC1)C(C)C ZINC000178587357 529896337 /nfs/dbraw/zinc/89/63/37/529896337.db2.gz KZKSDYAMAWDZEC-ZDUSSCGKSA-N 0 0 312.414 0.505 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)C(C)C ZINC000178430730 529897719 /nfs/dbraw/zinc/89/77/19/529897719.db2.gz BRUSUVPZHHCUHF-JQWIXIFHSA-N 0 0 312.414 0.456 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)NCCCc1ccccc1)C(C)C ZINC000179128310 529895957 /nfs/dbraw/zinc/89/59/57/529895957.db2.gz NYVURDOKCRHRJO-AWEZNQCLSA-N 0 0 319.405 0.622 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C)ccc1F)C(C)C ZINC000179078047 529895962 /nfs/dbraw/zinc/89/59/62/529895962.db2.gz PGLVFEGLEYIFJM-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CNC(=O)[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(C)C ZINC000178854548 529918792 /nfs/dbraw/zinc/91/87/92/529918792.db2.gz MBFVQUDSVDIZEG-CQSZACIVSA-N 0 0 319.409 0.580 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(C)C ZINC000178437291 529919449 /nfs/dbraw/zinc/91/94/49/529919449.db2.gz PJLWNCVGPKSIER-DGCLKSJQSA-N 0 0 307.398 0.690 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)C(C)C ZINC000179124105 529920587 /nfs/dbraw/zinc/92/05/87/529920587.db2.gz QVMTWKGKRRXBPG-CYBMUJFWSA-N 0 0 301.350 0.768 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000171488909 529903419 /nfs/dbraw/zinc/90/34/19/529903419.db2.gz VOGDLCSOQNYNOQ-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN CN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1CCOC1 ZINC000106840231 185454991 /nfs/dbraw/zinc/45/49/91/185454991.db2.gz OHAFRKRRUJCPAA-ZDUSSCGKSA-N 0 0 324.402 0.988 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](F)C[C@H]2C(N)=O)c(F)c1 ZINC000299744730 530030680 /nfs/dbraw/zinc/03/06/80/530030680.db2.gz URMUNSMVEGRVQT-HQJQHLMTSA-N 0 0 319.333 0.136 10 0 DCAERN CCC1(CC)CN(C(=O)CC(=O)N(C)C)CCS1(=O)=O ZINC000408378585 282357750 /nfs/dbraw/zinc/35/77/50/282357750.db2.gz FZDQVNSKZQWUAX-UHFFFAOYSA-N 0 0 304.412 0.281 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H](C)NC(C)=O)CCS1(=O)=O ZINC000408378383 282366274 /nfs/dbraw/zinc/36/62/74/282366274.db2.gz DNNPFURAYQYKOM-JTQLQIEISA-N 0 0 304.412 0.327 10 0 DCAERN C[C@@H](C(=O)N1CCOCC[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000367633788 295738818 /nfs/dbraw/zinc/73/88/18/295738818.db2.gz NLPGUYOTYDFBOP-RYUDHWBXSA-N 0 0 323.393 0.877 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCc1cscn1 ZINC000234574946 201903787 /nfs/dbraw/zinc/90/37/87/201903787.db2.gz LMXANQWUZJQMDO-MNOVXSKESA-N 0 0 318.420 0.947 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C(N)=O)CC[C@H]1C)n1nnnc1C(C)(C)C ZINC000408141631 295754026 /nfs/dbraw/zinc/75/40/26/295754026.db2.gz VCDFTMDDHMSSNC-OUAUKWLOSA-N 0 0 322.413 0.644 10 0 DCAERN C[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)CCS1(=O)=O ZINC000190466979 290794326 /nfs/dbraw/zinc/79/43/26/290794326.db2.gz DEXSPYNSQOMBKA-JTQLQIEISA-N 0 0 311.407 0.938 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(C)nc2)C1 ZINC000560894907 288521691 /nfs/dbraw/zinc/52/16/91/288521691.db2.gz IRXQUVKOVFKCQN-ZIAGYGMSSA-N 0 0 305.378 0.732 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCOCC1 ZINC000408023037 282524409 /nfs/dbraw/zinc/52/44/09/282524409.db2.gz OLMDQRZDDZDMON-RYUDHWBXSA-N 0 0 306.428 0.889 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884950 545673076 /nfs/dbraw/zinc/67/30/76/545673076.db2.gz QKBXTTGJTMKDPJ-CQSZACIVSA-N 0 0 305.378 0.205 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCS2)cc1 ZINC000070438427 190892140 /nfs/dbraw/zinc/89/21/40/190892140.db2.gz COLAIUAOVDLKGZ-LLVKDONJSA-N 0 0 300.405 0.846 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@H](C2CC2)O1 ZINC000279910406 215229853 /nfs/dbraw/zinc/22/98/53/215229853.db2.gz IHBFEIKTIBAVPX-GXSJLCMTSA-N 0 0 316.365 0.434 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000083737090 192380825 /nfs/dbraw/zinc/38/08/25/192380825.db2.gz CFUNXXUQLXRCBW-JQWIXIFHSA-N 0 0 318.381 0.484 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)NCc2ccnn2C)ccc1C ZINC000080609800 192171562 /nfs/dbraw/zinc/17/15/62/192171562.db2.gz AFAWGRSUOLXQEM-UHFFFAOYSA-N 0 0 323.374 0.994 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171194160 197896795 /nfs/dbraw/zinc/89/67/95/197896795.db2.gz IVFLASYQJHECEP-UHFFFAOYSA-N 0 0 320.397 0.177 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccccc1Cn1cncn1 ZINC000173372989 186180939 /nfs/dbraw/zinc/18/09/39/186180939.db2.gz SNDQQTCCCKZTBH-CYBMUJFWSA-N 0 0 323.360 0.663 10 0 DCAERN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171624096 197954670 /nfs/dbraw/zinc/95/46/70/197954670.db2.gz HVUAFKBAMDUCAU-GFCCVEGCSA-N 0 0 315.333 0.501 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171898236 198004160 /nfs/dbraw/zinc/00/41/60/198004160.db2.gz ZPEMTRJNFLPILD-CYBMUJFWSA-N 0 0 323.397 0.066 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000172054330 198032566 /nfs/dbraw/zinc/03/25/66/198032566.db2.gz ACLICSMGQYIJGH-TZMCWYRMSA-N 0 0 312.435 0.709 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)CNC(=O)c1ccccn1 ZINC000172513512 198108036 /nfs/dbraw/zinc/10/80/36/198108036.db2.gz VYDOYPZSOIHYLO-UHFFFAOYSA-N 0 0 320.393 0.576 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCCC2(C)C)CC1 ZINC000170874006 290946025 /nfs/dbraw/zinc/94/60/25/290946025.db2.gz DSJXSDNXMDRSTP-UHFFFAOYSA-N 0 0 304.412 0.991 10 0 DCAERN COC(=O)CCc1ccc2c(=O)[nH]c(N3CCOCC3)nc2n1 ZINC000072416187 191155798 /nfs/dbraw/zinc/15/57/98/191155798.db2.gz ADXJNJUCRKWQBC-UHFFFAOYSA-N 0 0 318.333 0.260 10 0 DCAERN CCc1nc2nnc3c(ccn(-c4c[nH]ccc4=O)c3=O)n2n1 ZINC000072466737 191173672 /nfs/dbraw/zinc/17/36/72/191173672.db2.gz DNXCLWCLDHDEMW-UHFFFAOYSA-N 0 0 309.289 0.074 10 0 DCAERN CSc1nc2n(n1)CC(C(=O)N1CCN(C)CC1)=C(C)N2 ZINC000072466279 191173979 /nfs/dbraw/zinc/17/39/79/191173979.db2.gz CNDSTZQHOBYIPB-UHFFFAOYSA-N 0 0 308.411 0.474 10 0 DCAERN CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172945782 198169256 /nfs/dbraw/zinc/16/92/56/198169256.db2.gz WQYZMJTUDPRICH-CHWSQXEVSA-N 0 0 304.346 0.814 10 0 DCAERN CC(C)=CCNc1ncn(CC[C@H]([NH3+])C(=O)[O-])c2ncnc1-2 ZINC000000901149 180837455 /nfs/dbraw/zinc/83/74/55/180837455.db2.gz KGVAAXZLUAKZEO-JTQLQIEISA-N 0 0 304.354 0.958 10 0 in-vitro DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000173958150 198272602 /nfs/dbraw/zinc/27/26/02/198272602.db2.gz HBKOWKQFIFQFNU-ZFWWWQNUSA-N 0 0 317.389 0.804 10 0 DCAERN Cn1nccc1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000174579660 198355247 /nfs/dbraw/zinc/35/52/47/198355247.db2.gz CYKCRGPYONSGFO-UHFFFAOYSA-N 0 0 304.354 0.557 10 0 DCAERN C[C@H](C(=O)N1CCN(c2ccc3nncn3n2)CC1)C1CC1 ZINC000175346245 198464752 /nfs/dbraw/zinc/46/47/52/198464752.db2.gz CUKVJESKKFJWRD-NSHDSACASA-N 0 0 300.366 0.819 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1cccc(-n2cccn2)n1 ZINC000182822030 199496380 /nfs/dbraw/zinc/49/63/80/199496380.db2.gz NRUHKDNLHVRIHB-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000247139740 283070605 /nfs/dbraw/zinc/07/06/05/283070605.db2.gz XDJFTFKSTHPRCP-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000073656531 191338364 /nfs/dbraw/zinc/33/83/64/191338364.db2.gz JULXUVHIOXSAOE-UHFFFAOYSA-N 0 0 320.393 0.453 10 0 DCAERN CCc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)s1 ZINC000074924203 191388335 /nfs/dbraw/zinc/38/83/35/191388335.db2.gz KLNSEMANBKRZBH-QMMMGPOBSA-N 0 0 309.434 0.776 10 0 DCAERN Cc1nc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)sc1C ZINC000074885052 191379017 /nfs/dbraw/zinc/37/90/17/191379017.db2.gz LAPJDROSWIJPRY-UHFFFAOYSA-N 0 0 321.406 0.675 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@H](C)NS(=O)(=O)CCC ZINC000038020732 283124562 /nfs/dbraw/zinc/12/45/62/283124562.db2.gz SJQVXRVXLOPRIQ-NSHDSACASA-N 0 0 322.427 0.506 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)CC2CC2)cc1 ZINC000078739276 191923284 /nfs/dbraw/zinc/92/32/84/191923284.db2.gz VEZGLSJNULGLRB-UHFFFAOYSA-N 0 0 304.393 0.163 10 0 DCAERN NC(=O)NC(=O)CN(CCN1CCOCC1)c1ccccc1 ZINC000081017763 192215046 /nfs/dbraw/zinc/21/50/46/192215046.db2.gz DVHWKDFQXZKAGJ-UHFFFAOYSA-N 0 0 306.366 0.020 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N[C@H]1CCCn2ncnc21 ZINC000177575987 198747760 /nfs/dbraw/zinc/74/77/60/198747760.db2.gz HCOUOBNZWANTPR-VIFPVBQESA-N 0 0 320.382 0.343 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)N2CCN(C3CC3)CC2)c1 ZINC000081726329 192317262 /nfs/dbraw/zinc/31/72/62/192317262.db2.gz MTEWSXAJFWDPMA-UHFFFAOYSA-N 0 0 317.389 0.861 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1O ZINC000272242895 209625039 /nfs/dbraw/zinc/62/50/39/209625039.db2.gz NPMGCIPXKFGJPQ-MNOVXSKESA-N 0 0 309.366 0.204 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)c1cccc(OCC(F)(F)F)n1 ZINC000178957139 198960594 /nfs/dbraw/zinc/96/05/94/198960594.db2.gz HMMVWWTXEFHBOH-GFCCVEGCSA-N 0 0 320.267 0.904 10 0 DCAERN C[C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000179311797 199014458 /nfs/dbraw/zinc/01/44/58/199014458.db2.gz PNVHBHNVVLBQNH-ZJUUUORDSA-N 0 0 318.370 0.332 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCC[C@H]2CSC)cn1 ZINC000179439462 199035612 /nfs/dbraw/zinc/03/56/12/199035612.db2.gz WAKLRBNNYFPJCV-NSHDSACASA-N 0 0 311.411 0.988 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cn1 ZINC000179446781 199037565 /nfs/dbraw/zinc/03/75/65/199037565.db2.gz QQOYQWAZPFPGES-PWSUYJOCSA-N 0 0 309.370 0.302 10 0 DCAERN NC(=O)N1CCCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000104379107 283298503 /nfs/dbraw/zinc/29/85/03/283298503.db2.gz LSZOCAMRSASGNW-UHFFFAOYSA-N 0 0 315.333 0.963 10 0 DCAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180266148 199139054 /nfs/dbraw/zinc/13/90/54/199139054.db2.gz DDKHYXUCXHTCAD-CQSZACIVSA-N 0 0 301.346 0.732 10 0 DCAERN C[C@]1(O)CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C1 ZINC000180603130 199183035 /nfs/dbraw/zinc/18/30/35/199183035.db2.gz VSGPMVSMGDELNX-HNNXBMFYSA-N 0 0 315.333 0.394 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000193954642 283383388 /nfs/dbraw/zinc/38/33/88/283383388.db2.gz MKDUFPZXPAZHQY-QWHCGFSZSA-N 0 0 309.410 0.810 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000181175730 199259760 /nfs/dbraw/zinc/25/97/60/199259760.db2.gz BXDIVZLVMVNWAU-VIFPVBQESA-N 0 0 313.789 0.836 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)COC[C@@H]2CCOC2)CC1 ZINC000117752764 545736645 /nfs/dbraw/zinc/73/66/45/545736645.db2.gz MJSBRUUVUWXGGS-CYBMUJFWSA-N 0 0 312.410 0.756 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000287657240 219657356 /nfs/dbraw/zinc/65/73/56/219657356.db2.gz COYVTFCQFPYSKO-SECBINFHSA-N 0 0 306.771 0.425 10 0 DCAERN Cc1ncsc1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000125776552 236953453 /nfs/dbraw/zinc/95/34/53/236953453.db2.gz IQDNRYWYZNBIBC-QMMMGPOBSA-N 0 0 303.409 0.780 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000126687787 236956478 /nfs/dbraw/zinc/95/64/78/236956478.db2.gz JGEVKVXEVHCPPA-JQWIXIFHSA-N 0 0 304.412 0.484 10 0 DCAERN Cc1c(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000152653303 237006050 /nfs/dbraw/zinc/00/60/50/237006050.db2.gz MLTZNROTFDTYDG-AOOOYVTPSA-N 0 0 302.400 0.172 10 0 DCAERN CCc1oc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1C ZINC000152835152 237009892 /nfs/dbraw/zinc/00/98/92/237009892.db2.gz VLCQFENXELQECX-UHFFFAOYSA-N 0 0 301.368 0.112 10 0 DCAERN O=C(c1cc(N2CCCC2=O)ccc1F)N1CCNC(=O)C1 ZINC000158480942 237068715 /nfs/dbraw/zinc/06/87/15/237068715.db2.gz ZHPDNCSSYMSSCS-UHFFFAOYSA-N 0 0 305.309 0.525 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000282562150 291185790 /nfs/dbraw/zinc/18/57/90/291185790.db2.gz OINUZXWDIXTKMG-VXNVDRBHSA-N 0 0 303.771 0.680 10 0 DCAERN Cc1nc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nc1C ZINC000185088066 237292899 /nfs/dbraw/zinc/29/28/99/237292899.db2.gz GIJJXZUBYQBALS-NSHDSACASA-N 0 0 312.395 0.166 10 0 DCAERN Cc1nn(C)c(C)c1CCNS(=O)(=O)N1CCC[C@@H]1C ZINC000184892616 237294956 /nfs/dbraw/zinc/29/49/56/237294956.db2.gz CWBQKNATXOBGTK-JTQLQIEISA-N 0 0 300.428 0.898 10 0 DCAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cccc1Cl ZINC000185598106 237300695 /nfs/dbraw/zinc/30/06/95/237300695.db2.gz HUKXQMZMAWAILF-ZETCQYMHSA-N 0 0 306.746 0.988 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000189217459 237389759 /nfs/dbraw/zinc/38/97/59/237389759.db2.gz SYHPQGCUCQXBHM-CHWSQXEVSA-N 0 0 308.378 0.315 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)no1 ZINC000191424103 237450239 /nfs/dbraw/zinc/45/02/39/237450239.db2.gz ITPINLYKPGOGMV-DGCLKSJQSA-N 0 0 308.382 0.837 10 0 DCAERN COC[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H](C)O1 ZINC000188191424 200206949 /nfs/dbraw/zinc/20/69/49/200206949.db2.gz OBHVICTWWDNWNC-CMPLNLGQSA-N 0 0 304.350 0.844 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc[nH]c(=O)c1 ZINC000153625300 291207764 /nfs/dbraw/zinc/20/77/64/291207764.db2.gz NGXVVJJRHDQLKF-AWEZNQCLSA-N 0 0 313.357 0.804 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188724902 200294661 /nfs/dbraw/zinc/29/46/61/200294661.db2.gz LMXFGCNDMIJBFS-GFCCVEGCSA-N 0 0 314.407 0.382 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCN1CCO ZINC000188730546 200295235 /nfs/dbraw/zinc/29/52/35/200295235.db2.gz UAQQXHJAJRIAAX-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN CCc1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)ccc1C ZINC000155177762 291218264 /nfs/dbraw/zinc/21/82/64/291218264.db2.gz WVZWHBWGZVWXTI-ZDUSSCGKSA-N 0 0 303.362 0.843 10 0 DCAERN COc1ccc2c(c1)ncn(C[C@H](O)CN1CCOCC1)c2=O ZINC000156807472 291225916 /nfs/dbraw/zinc/22/59/16/291225916.db2.gz QAGSMNMQLWPHQI-GFCCVEGCSA-N 0 0 319.361 0.098 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCCNC(C)=O)cc1F ZINC000163549444 291246349 /nfs/dbraw/zinc/24/63/49/291246349.db2.gz DYQLAMLVLQSBAU-UHFFFAOYSA-N 0 0 309.341 0.969 10 0 DCAERN CN(C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CCC1 ZINC000281374283 216257631 /nfs/dbraw/zinc/25/76/31/216257631.db2.gz AEQYRRDAWYKMJZ-LBPRGKRZSA-N 0 0 319.409 0.943 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CCO[C@@H](CO)C2)n1 ZINC000168363093 291249475 /nfs/dbraw/zinc/24/94/75/291249475.db2.gz XWXJTRLAEARNQY-SSDOTTSWSA-N 0 0 303.771 0.685 10 0 DCAERN O=C(C/C=C\c1ccc(F)cc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000427689396 291260903 /nfs/dbraw/zinc/26/09/03/291260903.db2.gz CNSJIHMJJSGSRQ-UIIMQBOASA-N 0 0 317.320 0.992 10 0 DCAERN CCN(CC)COC(=O)c1ccc(NS(N)(=O)=O)cc1 ZINC000204913278 201428077 /nfs/dbraw/zinc/42/80/77/201428077.db2.gz LJOMLKBEZQVIGR-UHFFFAOYSA-N 0 0 301.368 0.758 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@H](F)C[C@H]1CO ZINC000444278647 291336108 /nfs/dbraw/zinc/33/61/08/291336108.db2.gz UIRSHBOZDJZYBR-KXNHARMFSA-N 0 0 323.386 0.453 10 0 DCAERN Cc1cncc(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1 ZINC000442118574 240540999 /nfs/dbraw/zinc/54/09/99/240540999.db2.gz XPLXOGCSSZETRU-GFCCVEGCSA-N 0 0 309.391 0.655 10 0 DCAERN Cc1ccc(S(=O)(=O)N(C)CC2CC(O)C2)cc1C(N)=O ZINC000091489824 193063447 /nfs/dbraw/zinc/06/34/47/193063447.db2.gz KWHKXMGFQCCNMO-UHFFFAOYSA-N 0 0 312.391 0.485 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccoc2)CC12COC2 ZINC000451620832 240668218 /nfs/dbraw/zinc/66/82/18/240668218.db2.gz RIULKUCTJHBEPQ-NSHDSACASA-N 0 0 315.347 0.480 10 0 DCAERN COC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091767580 193103873 /nfs/dbraw/zinc/10/38/73/193103873.db2.gz KDOMDMSCRBFLHZ-BXKDBHETSA-N 0 0 314.288 0.955 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc2c(c1)CCCC2 ZINC000091779552 193106027 /nfs/dbraw/zinc/10/60/27/193106027.db2.gz ZOKMKPKKDSOPSJ-OAHLLOKOSA-N 0 0 318.373 0.657 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000091780296 193107002 /nfs/dbraw/zinc/10/70/02/193107002.db2.gz IOCZHGDUMIWWHV-JTQLQIEISA-N 0 0 318.251 0.912 10 0 DCAERN COc1ccc(C[C@@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783623 193107447 /nfs/dbraw/zinc/10/74/47/193107447.db2.gz HFKJLKOGBDXZGK-BXUZGUMPSA-N 0 0 306.362 0.587 10 0 DCAERN CC(C)(O)CNC(=O)c1cnn2cc(Br)cnc12 ZINC000091988668 193137240 /nfs/dbraw/zinc/13/72/40/193137240.db2.gz RSLSEIIWHIYBFJ-UHFFFAOYSA-N 0 0 313.155 0.993 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)C2CCC2)c1 ZINC000456897892 240940331 /nfs/dbraw/zinc/94/03/31/240940331.db2.gz JASHAVUVMSTJNX-ZDUSSCGKSA-N 0 0 312.391 0.486 10 0 DCAERN Cc1cccc(OCCNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000457518696 241011420 /nfs/dbraw/zinc/01/14/20/241011420.db2.gz WPNSFGMSNZIBNQ-CYBMUJFWSA-N 0 0 319.365 0.326 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)COC(C)(C)CC ZINC000457756939 241032730 /nfs/dbraw/zinc/03/27/30/241032730.db2.gz HUVANTBLWVZLPN-MNOVXSKESA-N 0 0 316.398 0.764 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)CCCOC ZINC000487409365 241080608 /nfs/dbraw/zinc/08/06/08/241080608.db2.gz NPBORIQXQIMAGW-MNOVXSKESA-N 0 0 317.386 0.121 10 0 DCAERN C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000493769614 241152473 /nfs/dbraw/zinc/15/24/73/241152473.db2.gz SJVHEBPVQHMAOW-NSHDSACASA-N 0 0 306.366 0.507 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)N1CCC[C@@H]1C ZINC000494586503 241205076 /nfs/dbraw/zinc/20/50/76/241205076.db2.gz MMCBKJFZKFESSH-RYUDHWBXSA-N 0 0 303.428 0.658 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000367038587 294288790 /nfs/dbraw/zinc/28/87/90/294288790.db2.gz ZRQDNAJFAXXOIC-YVECIDJPSA-N 0 0 307.412 0.619 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CCCSCC1 ZINC000567941754 291392745 /nfs/dbraw/zinc/39/27/45/291392745.db2.gz HSFAHRYHEFGKPS-SNVBAGLBSA-N 0 0 309.395 0.195 10 0 DCAERN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092231188 193177286 /nfs/dbraw/zinc/17/72/86/193177286.db2.gz FCNDKUPQHOYYGB-SMDDNHRTSA-N 0 0 323.368 0.531 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CC(=O)NCC2(C)C)cc1 ZINC000282112200 216753108 /nfs/dbraw/zinc/75/31/08/216753108.db2.gz UDVXPAYCEWTNER-UHFFFAOYSA-N 0 0 311.407 0.652 10 0 DCAERN Cc1c(C(=O)NC[C@H](O)CN2CCOCC2)cnn1C(C)C ZINC000092277395 193183867 /nfs/dbraw/zinc/18/38/67/193183867.db2.gz UGHBWTSKYISYQI-ZDUSSCGKSA-N 0 0 310.398 0.195 10 0 DCAERN CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC(O)C1 ZINC000568943682 291453620 /nfs/dbraw/zinc/45/36/20/291453620.db2.gz GDIRNXDNHHKRCJ-AWEZNQCLSA-N 0 0 323.368 0.853 10 0 DCAERN CN1C[C@H](NC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)CC1=O ZINC000282257193 216862915 /nfs/dbraw/zinc/86/29/15/216862915.db2.gz HHGKLCVTBHOPMT-RDBSUJKOSA-N 0 0 321.352 0.874 10 0 DCAERN CC(=O)Nc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531038 193264539 /nfs/dbraw/zinc/26/45/39/193264539.db2.gz LRLUKXVCFHLGQO-CQSZACIVSA-N 0 0 311.407 0.769 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 ZINC000263701570 203519561 /nfs/dbraw/zinc/51/95/61/203519561.db2.gz OYAMJEGFNUGGEL-OCCSQVGLSA-N 0 0 302.334 0.878 10 0 DCAERN Cc1cccc(CN2CC3(CCN(C(N)=O)CC3)OCC2=O)n1 ZINC000096201466 193577697 /nfs/dbraw/zinc/57/76/97/193577697.db2.gz IEFMWXPLLAOIEV-UHFFFAOYSA-N 0 0 318.377 0.662 10 0 DCAERN O=C(c1cc(-n2cccn2)ccn1)N1CCO[C@]2(CCOC2)C1 ZINC000186039388 296167807 /nfs/dbraw/zinc/16/78/07/296167807.db2.gz HZAKNUBRTIUYDX-MRXNPFEDSA-N 0 0 314.345 0.899 10 0 DCAERN CC1(CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)COC1 ZINC000264847737 204205615 /nfs/dbraw/zinc/20/56/15/204205615.db2.gz YKOBKBGVBINFJA-UHFFFAOYSA-N 0 0 324.402 0.894 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)c2coc(Br)c2)C1 ZINC000265119927 204411653 /nfs/dbraw/zinc/41/16/53/204411653.db2.gz NKHDFRAPCGUSHW-ZETCQYMHSA-N 0 0 302.128 0.925 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)[nH]n1 ZINC000282554060 217085870 /nfs/dbraw/zinc/08/58/70/217085870.db2.gz XLBHSTQUQXSICQ-KGLIPLIRSA-N 0 0 321.425 0.938 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282608561 217122633 /nfs/dbraw/zinc/12/26/33/217122633.db2.gz DVXFCAACOHCZBR-JKSUJKDBSA-N 0 0 320.393 0.410 10 0 DCAERN CN1C[C@H](NC(=O)NCc2cn3c(n2)CCCC3)CCC1=O ZINC000265697084 204808419 /nfs/dbraw/zinc/80/84/19/204808419.db2.gz PFFFIRXURNHZCR-LLVKDONJSA-N 0 0 305.382 0.639 10 0 DCAERN Cc1nnc(N2CCC[C@@H]2C(=O)N(C)C)n1C[C@H]1CCCO1 ZINC000572087654 291547867 /nfs/dbraw/zinc/54/78/67/291547867.db2.gz DCTDSUAGZZFSTO-CHWSQXEVSA-N 0 0 307.398 0.823 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H]1CCC[C@H]1O ZINC000266184249 205166049 /nfs/dbraw/zinc/16/60/49/205166049.db2.gz GMYBRVITQHQPLI-TZMCWYRMSA-N 0 0 308.353 0.762 10 0 DCAERN CCN(C)S(=O)(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000249429278 284360463 /nfs/dbraw/zinc/36/04/63/284360463.db2.gz IHURSSQVCOJCCS-NSHDSACASA-N 0 0 304.441 0.707 10 0 DCAERN COC(=O)Cn1c(=O)oc(=O)c2cc(Br)ccc21 ZINC000015880870 182023869 /nfs/dbraw/zinc/02/38/69/182023869.db2.gz LHVQGMUXFLQPPY-UHFFFAOYSA-N 0 0 314.091 0.890 10 0 DCAERN CCN(C)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245460319 284363382 /nfs/dbraw/zinc/36/33/82/284363382.db2.gz LZLVCBJOAWZUOV-UTUOFQBUSA-N 0 0 304.412 0.989 10 0 DCAERN O=C(CS(=O)(=O)[C@H]1CCOC1)Nc1ccc2c(c1)OCO2 ZINC000572337468 291562240 /nfs/dbraw/zinc/56/22/40/291562240.db2.gz YWLUZTMXQYKLAK-JTQLQIEISA-N 0 0 313.331 0.558 10 0 DCAERN CC1=NCCN1C(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000020174102 182194541 /nfs/dbraw/zinc/19/45/41/182194541.db2.gz YBCSWJUUOCAPLS-UHFFFAOYSA-N 0 0 321.358 0.627 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCCNC(=O)C1CC1 ZINC000022751644 182332677 /nfs/dbraw/zinc/33/26/77/182332677.db2.gz UCPWPKVMSXLDHK-UHFFFAOYSA-N 0 0 314.345 0.039 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194564748 291624261 /nfs/dbraw/zinc/62/42/61/291624261.db2.gz VZPZAUQKAFSZOE-NMKXLXIOSA-N 0 0 308.378 0.845 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCN(C(C)=O)C1 ZINC000176593428 284552363 /nfs/dbraw/zinc/55/23/63/284552363.db2.gz OEVFRTONCJUMCG-UONOGXRCSA-N 0 0 309.410 0.714 10 0 DCAERN O=C1CN(CCCCCCCCN2CC(=O)NC2=O)C(=O)N1 ZINC000038647487 183005710 /nfs/dbraw/zinc/00/57/10/183005710.db2.gz NQSOSHMQQKIGLG-UHFFFAOYSA-N 0 0 310.354 0.431 10 0 DCAERN COCCCNC(=O)Cn1c(CNC(C)=O)nc2ccccc21 ZINC000040296087 183052651 /nfs/dbraw/zinc/05/26/51/183052651.db2.gz UGIAVXXVNIVILT-UHFFFAOYSA-N 0 0 318.377 0.825 10 0 DCAERN CCN(CC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000042278578 183249260 /nfs/dbraw/zinc/24/92/60/183249260.db2.gz ANVCOXDOKFISQY-UHFFFAOYSA-N 0 0 310.372 0.504 10 0 DCAERN NC(=O)CCN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000042293324 183251169 /nfs/dbraw/zinc/25/11/69/183251169.db2.gz AGUXYJNQKXGKJQ-UHFFFAOYSA-N 0 0 315.098 0.993 10 0 DCAERN NC(=S)c1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000042480861 183275450 /nfs/dbraw/zinc/27/54/50/183275450.db2.gz QGUVCDWNAOQROO-UHFFFAOYSA-N 0 0 300.405 0.466 10 0 DCAERN N[C@@H]1CCCN1S(=O)(=O)c1cncc(Br)c1 ZINC000044243301 183399623 /nfs/dbraw/zinc/39/96/23/183399623.db2.gz GVDJOBHKLWJXIS-VIFPVBQESA-N 0 0 306.185 0.913 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCC[C@H]2CS(N)(=O)=O)C[C@@H](C)O1 ZINC000408076608 296273493 /nfs/dbraw/zinc/27/34/93/296273493.db2.gz LERKXYYFBIMDHQ-FOGDFJRCSA-N 0 0 304.412 0.470 10 0 DCAERN Cc1nnc(N(C)Cc2nnnn2C)n1CCc1ccccc1 ZINC000574586814 291704987 /nfs/dbraw/zinc/70/49/87/291704987.db2.gz IXOUFCNJYGWIFH-UHFFFAOYSA-N 0 0 312.381 0.989 10 0 DCAERN Cc1sc(=O)n(Cc2nc([C@@H]3CN4CCN3CC4)no2)c1C ZINC000273990599 211247664 /nfs/dbraw/zinc/24/76/64/211247664.db2.gz LPONDPCJGUKQGC-NSHDSACASA-N 0 0 321.406 0.630 10 0 DCAERN CN(C)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)c1ccco1 ZINC000105077705 194070071 /nfs/dbraw/zinc/07/00/71/194070071.db2.gz UYEBTHLLYIJYFZ-OLZOCXBDSA-N 0 0 310.398 0.512 10 0 DCAERN Cc1ccc(N2CCCN(CCCS(C)(=O)=O)CC2)nn1 ZINC000105801905 194131829 /nfs/dbraw/zinc/13/18/29/194131829.db2.gz ROJJYOVWKORMPW-UHFFFAOYSA-N 0 0 312.439 0.732 10 0 DCAERN CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000105862249 194150664 /nfs/dbraw/zinc/15/06/64/194150664.db2.gz OKKVVCPBXDGEJH-NWDGAFQWSA-N 0 0 306.366 0.813 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)CCN3C(=O)CCC3=O)C2)c1 ZINC000105858224 194149087 /nfs/dbraw/zinc/14/90/87/194149087.db2.gz ZXVUSUNCOWBSKA-ZDUSSCGKSA-N 0 0 318.377 0.894 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892279 194160414 /nfs/dbraw/zinc/16/04/14/194160414.db2.gz WUHYLIVYGHDCFV-GJZGRUSLSA-N 0 0 324.425 0.434 10 0 DCAERN CCCCNC(=O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000105868354 194151767 /nfs/dbraw/zinc/15/17/67/194151767.db2.gz BJDVYXVNBYGRSB-UHFFFAOYSA-N 0 0 321.425 0.914 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CCN([C@H](C)C(N)=O)CC1 ZINC000105870328 194152058 /nfs/dbraw/zinc/15/20/58/194152058.db2.gz GGJLCHGPHVYHLL-SNVBAGLBSA-N 0 0 313.833 0.627 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000106526600 194225327 /nfs/dbraw/zinc/22/53/27/194225327.db2.gz ZRXCEUJRSNADHS-LLVKDONJSA-N 0 0 310.398 0.163 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000106561409 194230497 /nfs/dbraw/zinc/23/04/97/194230497.db2.gz MNWQSGBQURXRQC-QWHCGFSZSA-N 0 0 307.398 0.977 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCS(=O)CC2)c(Cl)c1 ZINC000049692465 183754585 /nfs/dbraw/zinc/75/45/85/183754585.db2.gz ISNWTNADILYIAK-UHFFFAOYSA-N 0 0 308.812 0.675 10 0 DCAERN COCCNC(=O)CN1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110123797 194311539 /nfs/dbraw/zinc/31/15/39/194311539.db2.gz KDUANBHEFSQTOT-UHFFFAOYSA-N 0 0 319.409 0.239 10 0 DCAERN CCN1C[C@@H](C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1=O ZINC000110787379 194357953 /nfs/dbraw/zinc/35/79/53/194357953.db2.gz FIANRYFVSOQGTF-LBPRGKRZSA-N 0 0 314.349 0.351 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)c2cn(CC(=O)N(C)C)nn2)o1 ZINC000056968567 184022521 /nfs/dbraw/zinc/02/25/21/184022521.db2.gz URZBASQAKVOGIO-JTQLQIEISA-N 0 0 305.338 0.759 10 0 DCAERN CS(=O)(=O)N1CCC(Nc2ncnc(Cl)c2N)CC1 ZINC000060837051 184156181 /nfs/dbraw/zinc/15/61/81/184156181.db2.gz RXENXKODODIKHS-UHFFFAOYSA-N 0 0 305.791 0.548 10 0 DCAERN Cn1c(Sc2ccc(S(C)(=O)=O)cc2N)n[nH]c1=O ZINC000061592327 184175440 /nfs/dbraw/zinc/17/54/40/184175440.db2.gz VCFHCANODDCVON-UHFFFAOYSA-N 0 0 300.365 0.245 10 0 DCAERN CSCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccnc1 ZINC000064040814 184291982 /nfs/dbraw/zinc/29/19/82/184291982.db2.gz JPKIPFAQKUNVNF-CYBMUJFWSA-N 0 0 322.434 0.251 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000112661127 194498154 /nfs/dbraw/zinc/49/81/54/194498154.db2.gz PQAORXQTNSLOEI-NSHDSACASA-N 0 0 324.344 0.119 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000112660847 194498859 /nfs/dbraw/zinc/49/88/59/194498859.db2.gz VLHDOLWCQCMSFL-LLVKDONJSA-N 0 0 300.318 0.794 10 0 DCAERN CC(=O)N(C)c1ccccc1NCC(=O)N1CCNC(=O)C1 ZINC000118389078 194893470 /nfs/dbraw/zinc/89/34/70/194893470.db2.gz OAJLHNXEPLDEDP-UHFFFAOYSA-N 0 0 304.350 0.040 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)CCOCC1CCCC1 ZINC000333192103 252691886 /nfs/dbraw/zinc/69/18/86/252691886.db2.gz SJUIKWAEVXURND-UHFFFAOYSA-N 0 0 318.439 0.733 10 0 DCAERN CCN(C(=O)c1cc(S(N)(=O)=O)c(C)o1)[C@@H]1CCOC1 ZINC000336835220 252800787 /nfs/dbraw/zinc/80/07/87/252800787.db2.gz JFWJWBWJJANGGJ-SECBINFHSA-N 0 0 302.352 0.486 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000328619514 532998004 /nfs/dbraw/zinc/99/80/04/532998004.db2.gz FYGFLAWKIYSXNA-WCFLWFBJSA-N 0 0 317.411 0.595 10 0 DCAERN CC(=O)N(C)CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000338368087 252952378 /nfs/dbraw/zinc/95/23/78/252952378.db2.gz VCIRUGPDMLFQRA-GFCCVEGCSA-N 0 0 309.341 0.064 10 0 DCAERN C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)C1CCCC1 ZINC000172137036 533047978 /nfs/dbraw/zinc/04/79/78/533047978.db2.gz BBAYFRNJGOZTKN-SNVBAGLBSA-N 0 0 303.428 0.597 10 0 DCAERN COc1cc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)ncn1 ZINC000286364377 218943072 /nfs/dbraw/zinc/94/30/72/218943072.db2.gz DQBQXQHNRLZMEN-JTQLQIEISA-N 0 0 300.384 0.345 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)CCCO2)C[C@@H]1c1cnn(C)c1 ZINC000286504844 219024303 /nfs/dbraw/zinc/02/43/03/219024303.db2.gz UMXYOENNJVPZGX-DVOMOZLQSA-N 0 0 320.393 0.277 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cscc2Br)C1 ZINC000286499959 219022634 /nfs/dbraw/zinc/02/26/34/219022634.db2.gz NKANDDVDLOPFBD-JTQLQIEISA-N 0 0 319.180 0.573 10 0 DCAERN COc1ccccc1CN(C)C(=O)CN1C[C@@H](F)C[C@H]1C(N)=O ZINC000346092900 254008203 /nfs/dbraw/zinc/00/82/03/254008203.db2.gz RJGAIUHAYZZALP-STQMWFEESA-N 0 0 323.368 0.551 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@H](NC(=O)c2cccnc2)C1 ZINC000346448597 254053345 /nfs/dbraw/zinc/05/33/45/254053345.db2.gz DIZFICFWRGVQRP-LBPRGKRZSA-N 0 0 312.395 0.082 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000328857369 296395626 /nfs/dbraw/zinc/39/56/26/296395626.db2.gz XVEKPGJXWYWHBF-RDBSUJKOSA-N 0 0 317.455 0.368 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000349339956 254281266 /nfs/dbraw/zinc/28/12/66/254281266.db2.gz FPBTVDBAAMXTLQ-UHFFFAOYSA-N 0 0 320.393 0.453 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@H](C)C2)C1 ZINC000191640289 296395401 /nfs/dbraw/zinc/39/54/01/296395401.db2.gz KXJPDHDYGPBISA-VXGBXAGGSA-N 0 0 324.468 0.330 10 0 DCAERN Cc1nn(C)c2sc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc12 ZINC000350615088 254319099 /nfs/dbraw/zinc/31/90/99/254319099.db2.gz AWVFSLHAIIUJED-ZCFIWIBFSA-N 0 0 316.408 0.350 10 0 DCAERN C[C@@H](Oc1ccccc1F)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350618370 254319312 /nfs/dbraw/zinc/31/93/12/254319312.db2.gz DJQUIZAATZEMST-DTWKUNHWSA-N 0 0 304.343 0.386 10 0 DCAERN COc1ccc(C)cc1CC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350620482 254319642 /nfs/dbraw/zinc/31/96/42/254319642.db2.gz NUUYLRSEEQYNFO-SNVBAGLBSA-N 0 0 300.380 0.339 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CCCc2sccc21)S(N)(=O)=O ZINC000350629724 254321292 /nfs/dbraw/zinc/32/12/92/254321292.db2.gz RGALTCFSTDLXCH-SCZZXKLOSA-N 0 0 302.421 0.961 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000350634555 254321780 /nfs/dbraw/zinc/32/17/80/254321780.db2.gz CVVXNTLUWHOHHS-CYBMUJFWSA-N 0 0 317.345 0.565 10 0 DCAERN CC(=O)c1ccc(OC[C@@H](O)Cn2nnn(C3CC3)c2=O)cc1 ZINC000351883504 254377734 /nfs/dbraw/zinc/37/77/34/254377734.db2.gz MJFULLIAFFSNSA-ZDUSSCGKSA-N 0 0 318.333 0.417 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000352028356 254391144 /nfs/dbraw/zinc/39/11/44/254391144.db2.gz PUPPFDHDAJCGER-WDEREUQCSA-N 0 0 318.395 0.158 10 0 DCAERN CC(=O)c1cc(NC(=O)N[C@H]2CCC(=O)NC2=O)ccc1F ZINC000352109138 254399137 /nfs/dbraw/zinc/39/91/37/254399137.db2.gz DSRSBXXNMNHTFP-NSHDSACASA-N 0 0 307.281 0.955 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)C1 ZINC000253350445 285230713 /nfs/dbraw/zinc/23/07/13/285230713.db2.gz JGJPTRBSWFIANI-QWHCGFSZSA-N 0 0 317.455 0.547 10 0 DCAERN COC[C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)CC(C)(C)O1 ZINC000285079557 285294977 /nfs/dbraw/zinc/29/49/77/285294977.db2.gz PQEXRAKIUKVQBA-LBPRGKRZSA-N 0 0 323.393 0.663 10 0 DCAERN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000104841774 285293987 /nfs/dbraw/zinc/29/39/87/285293987.db2.gz MWHKPYATGMFFPI-DGADGQDISA-N 0 0 306.314 0.019 10 0 DCAERN CN(C)C(=O)COCC[C@@H]1CCOC12CN(c1ncccn1)C2 ZINC000248029238 257110977 /nfs/dbraw/zinc/11/09/77/257110977.db2.gz SUYBTBNRUPUBGZ-CYBMUJFWSA-N 0 0 320.393 0.567 10 0 DCAERN CC(=O)N1CCO[C@H]2CN(S(=O)(=O)C3CC3)CC[C@H]2C1 ZINC000247920579 257114809 /nfs/dbraw/zinc/11/48/09/257114809.db2.gz HDYOLUYJRSALFY-AAEUAGOBSA-N 0 0 302.396 0.048 10 0 DCAERN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3S(C)(=O)=O)n1 ZINC000247876403 257115110 /nfs/dbraw/zinc/11/51/10/257115110.db2.gz OUOSCVMCTRUZEL-OLZOCXBDSA-N 0 0 309.391 0.525 10 0 DCAERN Cc1cncc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)c1 ZINC000247889297 257115457 /nfs/dbraw/zinc/11/54/57/257115457.db2.gz FLNYDUYYWNCZEP-QWHCGFSZSA-N 0 0 309.391 0.638 10 0 DCAERN O=C([C@@H]1CO[C@H]2CN(c3ncccn3)C[C@H]21)N1CCCCO1 ZINC000247795237 257118316 /nfs/dbraw/zinc/11/83/16/257118316.db2.gz QYYMLJQQUSGHKD-XQQFMLRXSA-N 0 0 304.350 0.482 10 0 DCAERN COCC(=O)NC[C@H]1CN(Cc2ccoc2)Cc2ccnn21 ZINC000247810029 257118338 /nfs/dbraw/zinc/11/83/38/257118338.db2.gz CBKIRRFFGVBWBY-AWEZNQCLSA-N 0 0 304.350 0.796 10 0 DCAERN CS(=O)(=O)NCC[C@H]1CCOC12CN(c1ncccn1)C2 ZINC000247515577 257119505 /nfs/dbraw/zinc/11/95/05/257119505.db2.gz JSWAVMJXJFXNIL-NSHDSACASA-N 0 0 312.395 0.011 10 0 DCAERN COc1cc(C[C@@](C)(NN)C(N)=O)cc(Br)c1O ZINC000504610512 257143904 /nfs/dbraw/zinc/14/39/04/257143904.db2.gz NJEKBQBAICRIGO-LLVKDONJSA-N 0 0 318.171 0.413 10 0 DCAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000521396657 257240106 /nfs/dbraw/zinc/24/01/06/257240106.db2.gz BWDCEALEUBHILD-WUHRBBMRSA-N 0 0 318.439 0.181 10 0 DCAERN COC(=O)[C@H](CNC(=O)c1cc(C(N)=O)cn1C)CC(C)C ZINC000176438534 533285387 /nfs/dbraw/zinc/28/53/87/533285387.db2.gz NSAMFJLNFOZRAS-JTQLQIEISA-N 0 0 309.366 0.689 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCCn1cccn1 ZINC000191995977 533378671 /nfs/dbraw/zinc/37/86/71/533378671.db2.gz FAWVUOCTELSWNF-NSHDSACASA-N 0 0 316.365 0.806 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000171400698 533490287 /nfs/dbraw/zinc/49/02/87/533490287.db2.gz LYAVKXRSRPNRKU-GFCCVEGCSA-N 0 0 314.288 0.777 10 0 DCAERN C[C@@]1(C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)CCCO1 ZINC000275833318 130394464 /nfs/dbraw/zinc/39/44/64/130394464.db2.gz VNJURPJNGHZOFU-NHYWBVRUSA-N 0 0 306.366 0.836 10 0 DCAERN C[C@@H]1CSCCN(C(=O)Cn2cnc3c2ncnc3N)C1 ZINC000276870298 130554721 /nfs/dbraw/zinc/55/47/21/130554721.db2.gz ANBVEDWPTNZFOM-VIFPVBQESA-N 0 0 306.395 0.620 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1c1nc(C)c(S(N)(=O)=O)s1 ZINC000343727032 285469286 /nfs/dbraw/zinc/46/92/86/285469286.db2.gz XHGISYLVZHOAOC-BDAKNGLRSA-N 0 0 321.424 0.339 10 0 DCAERN COCCNC(=O)c1ccc(N2CC(=O)N(C)[C@H](C)C2)nc1 ZINC000283601601 131007055 /nfs/dbraw/zinc/00/70/55/131007055.db2.gz SZJTWIZEJBTBIW-LLVKDONJSA-N 0 0 306.366 0.125 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCCSCC1 ZINC000283845264 131028821 /nfs/dbraw/zinc/02/88/21/131028821.db2.gz BUJWSJNZZKNNEI-GFCCVEGCSA-N 0 0 322.434 0.879 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)ccn1 ZINC000283954495 131036662 /nfs/dbraw/zinc/03/66/62/131036662.db2.gz KHFWWYPAXKAWDT-KBPBESRZSA-N 0 0 320.393 0.705 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c(C)o1 ZINC000284868722 131118839 /nfs/dbraw/zinc/11/88/39/131118839.db2.gz DHAKZMQMZWISKZ-QWHCGFSZSA-N 0 0 314.407 0.990 10 0 DCAERN Cc1nccc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 ZINC000284955105 131126401 /nfs/dbraw/zinc/12/64/01/131126401.db2.gz JWEQNDXUVMLBGV-CYBMUJFWSA-N 0 0 322.409 0.874 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2c(C)cccc2F)C1 ZINC000285283038 131154168 /nfs/dbraw/zinc/15/41/68/131154168.db2.gz ZTWNAOHWFOVNHB-ONGXEEELSA-N 0 0 316.354 0.397 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000285398040 131164494 /nfs/dbraw/zinc/16/44/94/131164494.db2.gz CKPZAQQMAWTVNS-SNVBAGLBSA-N 0 0 305.338 0.148 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)COCc1ccnn1C ZINC000285432735 131167371 /nfs/dbraw/zinc/16/73/71/131167371.db2.gz XWENWKIOLCWHEE-LBPRGKRZSA-N 0 0 318.381 0.742 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCC(C2CCOCC2)CC1 ZINC000366709204 132121727 /nfs/dbraw/zinc/12/17/27/132121727.db2.gz ODRWIZIYXDFGQP-UHFFFAOYSA-N 0 0 304.412 0.201 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000163913948 132125493 /nfs/dbraw/zinc/12/54/93/132125493.db2.gz INNNOXIVKPNCEP-NSHDSACASA-N 0 0 322.413 0.891 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCC(=O)NC1CCCC1 ZINC000120392431 132141674 /nfs/dbraw/zinc/14/16/74/132141674.db2.gz FDCWMVDAZILYFK-RYUDHWBXSA-N 0 0 309.410 0.938 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@@H](c3ccco3)C2)C1 ZINC000121078554 132151673 /nfs/dbraw/zinc/15/16/73/132151673.db2.gz CRIFFBNEGPUTEO-GXTWGEPZSA-N 0 0 321.377 0.377 10 0 DCAERN CCc1onc(C)c1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000121163962 132152500 /nfs/dbraw/zinc/15/25/00/132152500.db2.gz SMVGNULGXOUTNH-CMPLNLGQSA-N 0 0 309.366 0.911 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N(C)C[C@H]2CCCCO2)n1C ZINC000121436027 132156059 /nfs/dbraw/zinc/15/60/59/132156059.db2.gz ZLPINQAGBQKRIE-CYBMUJFWSA-N 0 0 309.414 0.583 10 0 DCAERN Cc1cc2ncc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)c(C)n2n1 ZINC000284979775 292025735 /nfs/dbraw/zinc/02/57/35/292025735.db2.gz KPBISTQSANGCMB-KOLCDFICSA-N 0 0 305.313 0.384 10 0 DCAERN Cc1cnc(C)c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739082 134740606 /nfs/dbraw/zinc/74/06/06/134740606.db2.gz KHOPZNZPTSBLPX-LLVKDONJSA-N 0 0 301.354 0.625 10 0 DCAERN Cn1c2nc(N)c(-c3nc4ccccc4[nH]3)nc2c(=O)n(C)c1=O ZINC000023212161 395692336 /nfs/dbraw/zinc/69/23/36/395692336.db2.gz VCXAMMYIAUMLAJ-UHFFFAOYSA-N 0 0 323.316 0.153 10 0 DCAERN CC(C)C(=O)N1CCC(C(=O)NCC(=O)NC(C)(C)C)CC1 ZINC000025481483 395693480 /nfs/dbraw/zinc/69/34/80/395693480.db2.gz OPSFLXNKRORIBF-UHFFFAOYSA-N 0 0 311.426 0.912 10 0 DCAERN OC[C@H]1O[C@H](Oc2cccc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O ZINC000001231717 395680651 /nfs/dbraw/zinc/68/06/51/395680651.db2.gz CVAOQMBKGUKOIZ-QCODTGAPSA-N 0 0 306.314 0.019 10 0 DCAERN CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cn1)C(=O)OCC ZINC000005574677 395682715 /nfs/dbraw/zinc/68/27/15/395682715.db2.gz LQMFCFXXGBQGIP-LBPRGKRZSA-N 0 0 323.349 0.669 10 0 DCAERN CSC1=N[C@@H]2[C@@H](NN1)N(c1ccccc1)C(=O)[C@@H]2C(C)=O ZINC000006357009 395682948 /nfs/dbraw/zinc/68/29/48/395682948.db2.gz DQZQSFIODUGNKW-WOPDTQHZSA-N 0 0 304.375 0.760 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C)CC(=O)N(C)C)c1ccccc1 ZINC000008096421 395683962 /nfs/dbraw/zinc/68/39/62/395683962.db2.gz CGFWMMTUOBMXHU-CQSZACIVSA-N 0 0 305.378 0.801 10 0 DCAERN CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000008152469 395684107 /nfs/dbraw/zinc/68/41/07/395684107.db2.gz FCISTYRVERXJLE-UHFFFAOYSA-N 0 0 302.334 0.039 10 0 DCAERN O=c1[nH]c(=O)n(CC2CCC2)cc1I ZINC000086788566 395704928 /nfs/dbraw/zinc/70/49/28/395704928.db2.gz STIQZTUKXBGJSP-UHFFFAOYSA-N 0 0 306.103 0.941 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@@H]1O ZINC000089408184 395711028 /nfs/dbraw/zinc/71/10/28/395711028.db2.gz HHGSKBLYNUWRLL-ABAIWWIYSA-N 0 0 301.346 0.626 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C[C@H]1O ZINC000089410733 395711373 /nfs/dbraw/zinc/71/13/73/395711373.db2.gz XXIGHCKBVSQCOV-GXFFZTMASA-N 0 0 302.334 0.021 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c(C)o1 ZINC000089419316 395711376 /nfs/dbraw/zinc/71/13/76/395711376.db2.gz LMPOKMHKRUFFEQ-KWQFWETISA-N 0 0 316.379 0.339 10 0 DCAERN CC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000032658475 395712385 /nfs/dbraw/zinc/71/23/85/395712385.db2.gz LRMGWDVVEPAANB-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000034996870 395718708 /nfs/dbraw/zinc/71/87/08/395718708.db2.gz QBGAFEJMUJARPX-AWEZNQCLSA-N 0 0 319.405 0.498 10 0 DCAERN COC[C@@H](O)CN(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160123 395722534 /nfs/dbraw/zinc/72/25/34/395722534.db2.gz GEZGQBMGXRYEGN-VIFPVBQESA-N 0 0 323.418 0.912 10 0 DCAERN CCN1C[C@@H](C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000029022609 395696610 /nfs/dbraw/zinc/69/66/10/395696610.db2.gz KJSKJSKYYAYCCO-ZDUSSCGKSA-N 0 0 313.361 0.752 10 0 DCAERN Cn1c(N)c(NC(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000038819700 395732349 /nfs/dbraw/zinc/73/23/49/395732349.db2.gz YHIJQLWVSUVSHQ-UHFFFAOYSA-N 0 0 308.725 0.572 10 0 DCAERN COC(=O)[C@H]1CC(=O)CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000039157417 395732421 /nfs/dbraw/zinc/73/24/21/395732421.db2.gz QUVGYRMBTNSUDL-GFCCVEGCSA-N 0 0 313.331 0.200 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376233261 304312669 /nfs/dbraw/zinc/31/26/69/304312669.db2.gz YFGNNZQPPMDOIR-MJBXVCDLSA-N 0 0 311.378 0.936 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000092449804 395730806 /nfs/dbraw/zinc/73/08/06/395730806.db2.gz SJKOMENGXNCONA-NWDGAFQWSA-N 0 0 302.440 0.371 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000040444532 395733688 /nfs/dbraw/zinc/73/36/88/395733688.db2.gz LRSANTKIDMIPSI-ZWNOBZJWSA-N 0 0 312.391 0.940 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000042761978 395748768 /nfs/dbraw/zinc/74/87/68/395748768.db2.gz URPZNBUGHQABNF-PWSUYJOCSA-N 0 0 321.352 0.668 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCC(O)(C(F)(F)F)CC1 ZINC000408447957 304314182 /nfs/dbraw/zinc/31/41/82/304314182.db2.gz LNXALHCNEMSFAO-VIFPVBQESA-N 0 0 308.300 0.961 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)Cc1ccc(Cl)nc1 ZINC000193810612 395779751 /nfs/dbraw/zinc/77/97/51/395779751.db2.gz YMAXCJLORJYMMV-VIFPVBQESA-N 0 0 319.814 0.973 10 0 DCAERN COc1ccnc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)n1 ZINC000193847213 395780601 /nfs/dbraw/zinc/78/06/01/395780601.db2.gz IXBABWMMDLGUMJ-UHFFFAOYSA-N 0 0 311.367 0.661 10 0 DCAERN CCO[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000193904593 395782281 /nfs/dbraw/zinc/78/22/81/395782281.db2.gz XGQPWNBNOLMUDV-HOTGVXAUSA-N 0 0 322.405 0.574 10 0 DCAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCc2nc(C)nn2C1)C(C)C ZINC000108166667 395786441 /nfs/dbraw/zinc/78/64/41/395786441.db2.gz OZHYRNGCVJRHFQ-ZYHUDNBSSA-N 0 0 309.370 0.398 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000047100554 395787784 /nfs/dbraw/zinc/78/77/84/395787784.db2.gz BBWABYMXFUEVOG-CHWSQXEVSA-N 0 0 305.382 0.876 10 0 DCAERN C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047101443 395787826 /nfs/dbraw/zinc/78/78/26/395787826.db2.gz YATWLARBUOEBMM-QWHCGFSZSA-N 0 0 305.382 0.876 10 0 DCAERN O=C(c1ccccn1)N1CC[C@@H](n2c(=O)[nH]c3cncnc32)C1 ZINC000097940708 395761288 /nfs/dbraw/zinc/76/12/88/395761288.db2.gz MBVAZCYTHMYORN-SNVBAGLBSA-N 0 0 310.317 0.602 10 0 DCAERN CCNC(=O)CN(CC)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000045198477 395762106 /nfs/dbraw/zinc/76/21/06/395762106.db2.gz ZKZKWGFSOPQYCG-ZDUSSCGKSA-N 0 0 319.409 0.678 10 0 DCAERN CCN(CC)C(=O)[C@@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000098133893 395762156 /nfs/dbraw/zinc/76/21/56/395762156.db2.gz YNQJWUISQILJQZ-CYBMUJFWSA-N 0 0 321.425 0.864 10 0 DCAERN Cc1noc(CCNC(=O)NCCCOC[C@H]2CCCO2)n1 ZINC000101776850 395767357 /nfs/dbraw/zinc/76/73/57/395767357.db2.gz RVRGAOHUDMFEMW-GFCCVEGCSA-N 0 0 312.370 0.805 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 ZINC000102328209 395769639 /nfs/dbraw/zinc/76/96/39/395769639.db2.gz GSKJKHKVXBPRHV-CQSZACIVSA-N 0 0 303.362 0.673 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)CN(C)C(=O)c2cccs2)C1 ZINC000108460418 395790167 /nfs/dbraw/zinc/79/01/67/395790167.db2.gz CSNKBRCTDOSLSA-JTQLQIEISA-N 0 0 310.375 0.842 10 0 DCAERN CCC1CCC(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000193564340 395771989 /nfs/dbraw/zinc/77/19/89/395771989.db2.gz MZCXZHCQZKPCOS-UHFFFAOYSA-N 0 0 321.381 0.392 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)CN(C)C(=O)c2cccs2)C1 ZINC000108460420 395789631 /nfs/dbraw/zinc/78/96/31/395789631.db2.gz CSNKBRCTDOSLSA-SNVBAGLBSA-N 0 0 310.375 0.842 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000193750667 395778253 /nfs/dbraw/zinc/77/82/53/395778253.db2.gz ACBNEEMJICZRNT-YPMHNXCESA-N 0 0 318.377 0.240 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000104359890 395778450 /nfs/dbraw/zinc/77/84/50/395778450.db2.gz IQRIHMUCLWYBTG-AWEZNQCLSA-N 0 0 313.357 0.808 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000193759711 395778746 /nfs/dbraw/zinc/77/87/46/395778746.db2.gz DRXNOBWIKVIZFY-GFCCVEGCSA-N 0 0 310.398 0.298 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000194623471 395802720 /nfs/dbraw/zinc/80/27/20/395802720.db2.gz VDDIZODDABLCLK-CYBMUJFWSA-N 0 0 306.362 0.908 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)NC/C=C/c1ccccc1)c2=O ZINC000112584113 395819178 /nfs/dbraw/zinc/81/91/78/395819178.db2.gz KQBUDGAKGRLMSX-VMPITWQZSA-N 0 0 323.356 0.960 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)NCC3(C)COC3)cc12 ZINC000112708520 395822458 /nfs/dbraw/zinc/82/24/58/395822458.db2.gz HCMKXLIWVRJRNG-UHFFFAOYSA-N 0 0 310.379 0.592 10 0 DCAERN O=C(NCCOc1ccccc1)N[C@H]1CCc2ncnn2C1 ZINC000112740119 395823068 /nfs/dbraw/zinc/82/30/68/395823068.db2.gz SCSCVEROZCTNAL-LBPRGKRZSA-N 0 0 301.350 0.971 10 0 DCAERN C[C@@H](O)CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195281133 395823085 /nfs/dbraw/zinc/82/30/85/395823085.db2.gz ALVJNAWVDMADDW-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCC1(C)COC1 ZINC000112728340 395823397 /nfs/dbraw/zinc/82/33/97/395823397.db2.gz JUBFERHLEHMNJR-UHFFFAOYSA-N 0 0 318.377 0.574 10 0 DCAERN CC(C)c1nc([C@@H]2CCCN2Cc2nc(N)nc(N)n2)no1 ZINC000195374765 395825436 /nfs/dbraw/zinc/82/54/36/395825436.db2.gz PJAYHMPEGVAGLY-QMMMGPOBSA-N 0 0 304.358 0.880 10 0 DCAERN COCCCNC(=O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195437858 395827346 /nfs/dbraw/zinc/82/73/46/395827346.db2.gz QMPKTCPAXGGJAK-LBPRGKRZSA-N 0 0 313.423 0.978 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000113298482 395829135 /nfs/dbraw/zinc/82/91/35/395829135.db2.gz LBDPUGORTLQAIL-LLVKDONJSA-N 0 0 322.390 0.970 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517647 395830229 /nfs/dbraw/zinc/83/02/29/395830229.db2.gz LBTOMAATUNRQIA-NSHDSACASA-N 0 0 309.370 0.478 10 0 DCAERN CCCCNC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000195509114 395830805 /nfs/dbraw/zinc/83/08/05/395830805.db2.gz BKCMWYHYHGUKIA-UHFFFAOYSA-N 0 0 308.426 0.971 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)c2n1 ZINC000114231796 395833022 /nfs/dbraw/zinc/83/30/22/395833022.db2.gz ZCEYQLOUMFJBPG-CYBMUJFWSA-N 0 0 313.361 0.921 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](O)C1 ZINC000216484217 395837328 /nfs/dbraw/zinc/83/73/28/395837328.db2.gz AOWPSPGZQVCLQB-VXGBXAGGSA-N 0 0 304.412 0.174 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000114842530 395837805 /nfs/dbraw/zinc/83/78/05/395837805.db2.gz AKNOUGWMQAGYTN-LLVKDONJSA-N 0 0 302.334 0.698 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000115390223 395839215 /nfs/dbraw/zinc/83/92/15/395839215.db2.gz YXPIOIFOVAYQLE-CQSZACIVSA-N 0 0 306.410 0.718 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cnsn2)CC1 ZINC000115387570 395839379 /nfs/dbraw/zinc/83/93/79/395839379.db2.gz LAKBTVKNATZVEQ-UHFFFAOYSA-N 0 0 320.422 0.846 10 0 DCAERN CCCCCCNC(=O)CN1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000116282047 395842879 /nfs/dbraw/zinc/84/28/79/395842879.db2.gz UQLFXFRHWOYBBH-CHWSQXEVSA-N 0 0 300.399 0.945 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370642 395843948 /nfs/dbraw/zinc/84/39/48/395843948.db2.gz HFSMZSKAGQOACO-LLVKDONJSA-N 0 0 315.395 0.492 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)NCCCN3CCCC3=O)C2)cn1 ZINC000116518651 395844527 /nfs/dbraw/zinc/84/45/27/395844527.db2.gz QRKVGFOGXWJKLY-ZDUSSCGKSA-N 0 0 319.409 0.932 10 0 DCAERN CNC(=O)C1(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000116781894 395845418 /nfs/dbraw/zinc/84/54/18/395845418.db2.gz IAHOKRJBBDNOON-ZDUSSCGKSA-N 0 0 319.409 0.660 10 0 DCAERN COC(=O)NCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116778174 395845568 /nfs/dbraw/zinc/84/55/68/395845568.db2.gz KAZDUPVREPASQM-LBPRGKRZSA-N 0 0 309.370 0.490 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C1 ZINC000116929909 395849455 /nfs/dbraw/zinc/84/94/55/395849455.db2.gz IWVMHWLKBNUMSG-LLVKDONJSA-N 0 0 301.343 0.981 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)NCc1cscn1 ZINC000051310601 395849770 /nfs/dbraw/zinc/84/97/70/395849770.db2.gz IMWPLFPGCWBBKT-UHFFFAOYSA-N 0 0 306.413 0.270 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)NCc1cscn1 ZINC000051310306 395850028 /nfs/dbraw/zinc/85/00/28/395850028.db2.gz HYPXNTFJCFXZGU-UHFFFAOYSA-N 0 0 306.413 0.272 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117024932 395850672 /nfs/dbraw/zinc/85/06/72/395850672.db2.gz MMQDUBGWYJTBGQ-CQSZACIVSA-N 0 0 322.413 0.453 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)[C@@H](C)NC(N)=O)C2)c1 ZINC000117269394 395850870 /nfs/dbraw/zinc/85/08/70/395850870.db2.gz JZXBANLTVDHWLC-VXGBXAGGSA-N 0 0 320.393 0.837 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1C ZINC000117522801 395852886 /nfs/dbraw/zinc/85/28/86/395852886.db2.gz UQGAGBLFHPSFQY-LBPRGKRZSA-N 0 0 323.368 0.943 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@@H]1C ZINC000117522741 395853185 /nfs/dbraw/zinc/85/31/85/395853185.db2.gz VEKBZQWGSDUGGS-ZDUSSCGKSA-N 0 0 320.393 0.508 10 0 DCAERN COc1ccncc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118133597 395861164 /nfs/dbraw/zinc/86/11/64/395861164.db2.gz OKDGSXWTBLOINX-UHFFFAOYSA-N 0 0 303.322 0.350 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCc3c2cccc3F)CCO1 ZINC000051712479 395854069 /nfs/dbraw/zinc/85/40/69/395854069.db2.gz CLZLLCXAUPQTTB-STQMWFEESA-N 0 0 307.325 0.709 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccncn3)CCO2)[nH]1 ZINC000194197464 395791286 /nfs/dbraw/zinc/79/12/86/395791286.db2.gz DSSMTQMGIJDMAC-SECBINFHSA-N 0 0 303.326 0.763 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000194359402 395794784 /nfs/dbraw/zinc/79/47/84/395794784.db2.gz UCFSEXCQTMWKFD-UHFFFAOYSA-N 0 0 302.334 0.066 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)NCCCO)cn2)C[C@@H](C)O1 ZINC000047598327 395797012 /nfs/dbraw/zinc/79/70/12/395797012.db2.gz BCVKTBZVKKOWLI-CHWSQXEVSA-N 0 0 322.409 0.877 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H](c2nccs2)C1 ZINC000109327187 395797160 /nfs/dbraw/zinc/79/71/60/395797160.db2.gz GGOWFOFLZKCDOM-SNVBAGLBSA-N 0 0 305.425 0.456 10 0 DCAERN CNC(=O)CN1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000047688776 395799916 /nfs/dbraw/zinc/79/99/16/395799916.db2.gz CHXKHARMFLRGBF-UHFFFAOYSA-N 0 0 316.361 0.073 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(F)cc1F ZINC000122481357 395887278 /nfs/dbraw/zinc/88/72/78/395887278.db2.gz KKKKSEZKFLTFSZ-LLVKDONJSA-N 0 0 315.320 0.779 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)NCCNC(=O)c1ccccc1 ZINC000123654332 395895679 /nfs/dbraw/zinc/89/56/79/395895679.db2.gz BVFVCZRTWQETLX-UHFFFAOYSA-N 0 0 320.393 0.488 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000272519771 395896671 /nfs/dbraw/zinc/89/66/71/395896671.db2.gz ZEMYXSPBAHNILK-MWLCHTKSSA-N 0 0 315.395 0.183 10 0 DCAERN O=C(C1CCN(c2cnccn2)CC1)N1CCN(C2CC2)CC1 ZINC000127716524 395915837 /nfs/dbraw/zinc/91/58/37/395915837.db2.gz NPSZXJXRFNCNCR-UHFFFAOYSA-N 0 0 315.421 1.000 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NCCCCCO)cc1 ZINC000244146058 395924551 /nfs/dbraw/zinc/92/45/51/395924551.db2.gz USBRWJSFCHUTLD-UHFFFAOYSA-N 0 0 315.395 0.296 10 0 DCAERN C[C@@H](C(=O)N(C)C1CCCCC1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131922263 395926002 /nfs/dbraw/zinc/92/60/02/395926002.db2.gz SZJYRHJAUSUSGC-DYEKYZERSA-N 0 0 311.426 0.741 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000118720367 395863729 /nfs/dbraw/zinc/86/37/29/395863729.db2.gz LHJQLUDNTGPUJW-SNVBAGLBSA-N 0 0 312.391 0.628 10 0 DCAERN O=C(CNC(=O)[C@@H]1COc2ccccc2O1)NCc1ccco1 ZINC000052568568 395865993 /nfs/dbraw/zinc/86/59/93/395865993.db2.gz SYZBZRFJSNVFKL-AWEZNQCLSA-N 0 0 316.313 0.852 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CC(O)(C2CC2)C1 ZINC000227249643 395868688 /nfs/dbraw/zinc/86/86/88/395868688.db2.gz KGOWVMHJSPBFBM-WDEREUQCSA-N 0 0 303.380 0.115 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NC)c1 ZINC000119255984 395869055 /nfs/dbraw/zinc/86/90/55/395869055.db2.gz WJAFZVMQFHLRFX-CYBMUJFWSA-N 0 0 324.402 0.831 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000245398015 395927924 /nfs/dbraw/zinc/92/79/24/395927924.db2.gz RERRUMPEDDMKKU-STQMWFEESA-N 0 0 317.455 0.941 10 0 DCAERN CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cnn1C ZINC000228065873 395870553 /nfs/dbraw/zinc/87/05/53/395870553.db2.gz YJVKPXKPJJSAEB-HTRCEHHLSA-N 0 0 313.832 0.464 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCNC(=O)CC1)C2 ZINC000119577279 395873181 /nfs/dbraw/zinc/87/31/81/395873181.db2.gz MGZNBABPTDAZHA-GFCCVEGCSA-N 0 0 304.346 0.595 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000132923008 395928140 /nfs/dbraw/zinc/92/81/40/395928140.db2.gz YFXFPFAYBKTKBC-SECBINFHSA-N 0 0 316.354 0.982 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCC(Cc3nccn3C)CC2)cn1 ZINC000119721735 395875025 /nfs/dbraw/zinc/87/50/25/395875025.db2.gz BZTAARISLNQXDO-UHFFFAOYSA-N 0 0 323.422 0.797 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000245431582 395928720 /nfs/dbraw/zinc/92/87/20/395928720.db2.gz OCJVGQAOEFTPKC-ABAIWWIYSA-N 0 0 308.426 0.805 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCC(=O)N(C)C2)cnn1-c1ccccn1 ZINC000133243289 395928734 /nfs/dbraw/zinc/92/87/34/395928734.db2.gz ZIDLNDLMHLBYNN-GFCCVEGCSA-N 0 0 313.361 0.926 10 0 DCAERN CCCn1c(=O)[nH]nc1SC[C@H](O)CO[C@@H](C)COC ZINC000233379477 395886844 /nfs/dbraw/zinc/88/68/44/395886844.db2.gz GUYAKQAZVBRZSL-VHSXEESVSA-N 0 0 305.400 0.486 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703111 395934039 /nfs/dbraw/zinc/93/40/39/395934039.db2.gz NIDSVRCORLPQLO-LLVKDONJSA-N 0 0 302.371 0.825 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cn1 ZINC000248861829 395998709 /nfs/dbraw/zinc/99/87/09/395998709.db2.gz AIUMHWIWXATZJW-UHTWSYAYSA-N 0 0 319.361 0.886 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000245991898 395939329 /nfs/dbraw/zinc/93/93/29/395939329.db2.gz MDHWMEQFQNAXQI-XQHKEYJVSA-N 0 0 321.377 0.501 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@@H]1C ZINC000246085197 395941231 /nfs/dbraw/zinc/94/12/31/395941231.db2.gz IGGCJJURGPMFDL-RWMBFGLXSA-N 0 0 306.410 0.743 10 0 DCAERN CN(C(=O)[C@@H]1CNC(=O)C1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246109904 395941456 /nfs/dbraw/zinc/94/14/56/395941456.db2.gz DUSUNCFIKZVKHW-RYUDHWBXSA-N 0 0 303.366 0.040 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H](C(=O)NC)C(C)C)CC1=O ZINC000246223500 395944358 /nfs/dbraw/zinc/94/43/58/395944358.db2.gz QCEYEZGAFNGMJN-SGMGOOAPSA-N 0 0 311.426 0.910 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000246228610 395944673 /nfs/dbraw/zinc/94/46/73/395944673.db2.gz PZMSDJUDVKZJMT-KOLCDFICSA-N 0 0 311.304 0.026 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000274410097 395945842 /nfs/dbraw/zinc/94/58/42/395945842.db2.gz GQCIENYOWYJBGN-JSGCOSHPSA-N 0 0 320.393 0.579 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000057621451 395946417 /nfs/dbraw/zinc/94/64/17/395946417.db2.gz YVUFOGFDXKSJFQ-CYBMUJFWSA-N 0 0 315.329 0.862 10 0 DCAERN CC(C)CO[C@H](C)c1noc(CN2CCOC[C@H]2C(N)=O)n1 ZINC000246451750 395950792 /nfs/dbraw/zinc/95/07/92/395950792.db2.gz NSTDMJWFJQYLFJ-MNOVXSKESA-N 0 0 312.370 0.489 10 0 DCAERN O=C(Cn1ccc(=O)c2ccccc21)N[C@@H]1CCCCNC1=O ZINC000138588986 395952023 /nfs/dbraw/zinc/95/20/23/395952023.db2.gz IQUNNFCELAJIOI-CYBMUJFWSA-N 0 0 313.357 0.786 10 0 DCAERN CN1CCO[C@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000246537396 395952132 /nfs/dbraw/zinc/95/21/32/395952132.db2.gz HLPJAGLFVTTZPK-HZPDHXFCSA-N 0 0 303.406 0.927 10 0 DCAERN Cc1cc2ncc(C(=O)N3CCO[C@@]4(CCOC4)C3)c(C)n2n1 ZINC000274487820 395952380 /nfs/dbraw/zinc/95/23/80/395952380.db2.gz SENGRVQRBQLBLF-INIZCTEOSA-N 0 0 316.361 0.978 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C ZINC000246649033 395954851 /nfs/dbraw/zinc/95/48/51/395954851.db2.gz GDIIMONRFZUIHZ-QWRGUYRKSA-N 0 0 318.377 0.383 10 0 DCAERN COC(=O)[C@H]1CN([C@H](C)C(=O)NCCC(C)C)C[C@@H](C)O1 ZINC000246648083 395954895 /nfs/dbraw/zinc/95/48/95/395954895.db2.gz XFPYAGUAIPTXCJ-JHJVBQTASA-N 0 0 300.399 0.800 10 0 DCAERN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246879753 395960126 /nfs/dbraw/zinc/96/01/26/395960126.db2.gz GPCRMVCWUDWHIC-QWHCGFSZSA-N 0 0 307.398 0.887 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000247153384 395968112 /nfs/dbraw/zinc/96/81/12/395968112.db2.gz IOUDHUSENHOARN-LBPRGKRZSA-N 0 0 304.412 0.440 10 0 DCAERN COc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nn1C ZINC000274708505 395969328 /nfs/dbraw/zinc/96/93/28/395969328.db2.gz SQUWAXCBGLDZCP-AAEUAGOBSA-N 0 0 308.382 0.221 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000150760076 395971998 /nfs/dbraw/zinc/97/19/98/395971998.db2.gz HXIKELQDNOVWFC-UHFFFAOYSA-N 0 0 302.338 0.763 10 0 DCAERN CN1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)CCC1=O ZINC000150878880 395974378 /nfs/dbraw/zinc/97/43/78/395974378.db2.gz UAHWZKKMVRMZDT-STQMWFEESA-N 0 0 319.409 0.718 10 0 DCAERN CC[C@@H]1CN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000247560779 395976513 /nfs/dbraw/zinc/97/65/13/395976513.db2.gz QTBHULSRXHATLN-DGCLKSJQSA-N 0 0 313.467 0.939 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000247560855 395976653 /nfs/dbraw/zinc/97/66/53/395976653.db2.gz UUQREHSWUVNYQR-MQYQWHSLSA-N 0 0 312.410 0.753 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)N[C@@H](C)[C@@H](C)CO ZINC000151163542 395980117 /nfs/dbraw/zinc/98/01/17/395980117.db2.gz YMOJFLWURRFFSK-RYUDHWBXSA-N 0 0 308.378 0.948 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCC[C@H]1CO)c1ncnc2nc[nH]c21 ZINC000247977750 395981693 /nfs/dbraw/zinc/98/16/93/395981693.db2.gz GSQAEVZYBRLBLU-WDEREUQCSA-N 0 0 318.381 0.456 10 0 DCAERN O=C1NC[C@H]2CN(C[C@@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147607 395983267 /nfs/dbraw/zinc/98/32/67/395983267.db2.gz QIIKNIHNMIMYJJ-QWHCGFSZSA-N 0 0 323.780 0.016 10 0 DCAERN CN1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000248152267 395983544 /nfs/dbraw/zinc/98/35/44/395983544.db2.gz ULTFJGFXROXAAR-AWEZNQCLSA-N 0 0 319.430 0.976 10 0 DCAERN CCN(CC)C(=O)[C@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000064248360 395984683 /nfs/dbraw/zinc/98/46/83/395984683.db2.gz YNQJWUISQILJQZ-ZDUSSCGKSA-N 0 0 321.425 0.864 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)N(C)C3CC3)CC2)n1 ZINC000064248339 395984843 /nfs/dbraw/zinc/98/48/43/395984843.db2.gz MZGFTVZSDQYSBU-UHFFFAOYSA-N 0 0 305.382 0.228 10 0 DCAERN COCc1csc(NC(=O)N2CCN(CCO)CC2)n1 ZINC000151452198 395985988 /nfs/dbraw/zinc/98/59/88/395985988.db2.gz SCXLIKIISCPWNC-UHFFFAOYSA-N 0 0 300.384 0.431 10 0 DCAERN Cn1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)ccc1=O ZINC000151584236 395988814 /nfs/dbraw/zinc/98/88/14/395988814.db2.gz CHABBTZLBFIRPK-NWDGAFQWSA-N 0 0 304.350 0.660 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([C@H](C)O)C1)CC2 ZINC000248487419 395989134 /nfs/dbraw/zinc/98/91/34/395989134.db2.gz LVESWOGKVGULIU-SDDRHHMPSA-N 0 0 307.398 0.568 10 0 DCAERN CCOCCOCCN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000248743571 395996357 /nfs/dbraw/zinc/99/63/57/395996357.db2.gz YSJMAZXAKRZMIX-AWEZNQCLSA-N 0 0 324.425 0.927 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000151956200 395997347 /nfs/dbraw/zinc/99/73/47/395997347.db2.gz BWQZPVGHNYLQLO-NEPJUHHUSA-N 0 0 314.407 0.488 10 0 DCAERN C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153767356 396025545 /nfs/dbraw/zinc/02/55/45/396025545.db2.gz BYGZTAFCBUHTMT-UTUOFQBUSA-N 0 0 319.365 0.997 10 0 DCAERN CCOC(=O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000253375008 396026472 /nfs/dbraw/zinc/02/64/72/396026472.db2.gz OFCAGJHOCGKATP-ZDUSSCGKSA-N 0 0 311.426 0.614 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 ZINC000067615632 396029399 /nfs/dbraw/zinc/02/93/99/396029399.db2.gz WKPAZDXUQRHISV-ZDUSSCGKSA-N 0 0 305.378 0.858 10 0 DCAERN CCOCCO[C@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154134462 396032082 /nfs/dbraw/zinc/03/20/82/396032082.db2.gz OBXYRAGKUWPALD-KGLIPLIRSA-N 0 0 324.425 0.947 10 0 DCAERN CCc1ccccc1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154128489 396032316 /nfs/dbraw/zinc/03/23/16/396032316.db2.gz HWIBYEYXFUWXLW-HNNXBMFYSA-N 0 0 322.405 0.437 10 0 DCAERN C[C@H]([C@H](C)N(C)Cc1nsc(N(C)C)n1)S(C)(=O)=O ZINC000154290305 396036020 /nfs/dbraw/zinc/03/60/20/396036020.db2.gz KAMJTQARFUZXQQ-DTWKUNHWSA-N 0 0 306.457 0.858 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154364749 396037497 /nfs/dbraw/zinc/03/74/97/396037497.db2.gz NGSCZWFMSXUZKV-GFCCVEGCSA-N 0 0 302.382 0.861 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2)CC1 ZINC000154519661 396039018 /nfs/dbraw/zinc/03/90/18/396039018.db2.gz ZDVZZWQZSSQQOS-NSHDSACASA-N 0 0 305.309 0.572 10 0 DCAERN Cn1nccc1CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000154806485 396043227 /nfs/dbraw/zinc/04/32/27/396043227.db2.gz JKUAIZAAFQLWJM-AWEZNQCLSA-N 0 0 313.361 0.803 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261601781 396047777 /nfs/dbraw/zinc/04/77/77/396047777.db2.gz AJFCYNMIVLCXGN-LBPRGKRZSA-N 0 0 307.379 0.150 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000155279724 396049737 /nfs/dbraw/zinc/04/97/37/396049737.db2.gz VTQWRCIECLNAEC-QWRGUYRKSA-N 0 0 314.407 0.989 10 0 DCAERN CC(C)(C)c1csc(CNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000155605994 396054633 /nfs/dbraw/zinc/05/46/33/396054633.db2.gz TVOLRJGTGQJEKE-ZETCQYMHSA-N 0 0 310.379 0.655 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@@H](C(N)=O)O1 ZINC000157461153 396063331 /nfs/dbraw/zinc/06/33/31/396063331.db2.gz FEDIAYBQGDFKDL-KHUFEXMSSA-N 0 0 310.375 0.139 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H](C)O1 ZINC000157711917 396063713 /nfs/dbraw/zinc/06/37/13/396063713.db2.gz FBMSRYPIYDGMIF-YPMHNXCESA-N 0 0 317.345 0.666 10 0 DCAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158560743 396064964 /nfs/dbraw/zinc/06/49/64/396064964.db2.gz NTSWCXNHDUVNLR-DGCLKSJQSA-N 0 0 318.377 0.960 10 0 DCAERN CC[C@H](CCO)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000158892624 396065673 /nfs/dbraw/zinc/06/56/73/396065673.db2.gz MSLPEPLJXDPNKL-GFCCVEGCSA-N 0 0 315.391 0.841 10 0 DCAERN Cc1ccc([C@@H]2CN(Cc3nc(N)nc(N(C)C)n3)CCO2)o1 ZINC000159185686 396066413 /nfs/dbraw/zinc/06/64/13/396066413.db2.gz LSRSSBJIEIAAGG-LBPRGKRZSA-N 0 0 318.381 0.995 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000276491980 396003596 /nfs/dbraw/zinc/00/35/96/396003596.db2.gz NVVKYFZXVJNPJG-LBPRGKRZSA-N 0 0 304.680 0.681 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)Nc1cccc(C)c1 ZINC000249422193 396008005 /nfs/dbraw/zinc/00/80/05/396008005.db2.gz XFYBXNHAYHVRIT-HIFRSBDPSA-N 0 0 306.362 0.932 10 0 DCAERN COCCS(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249439478 396008329 /nfs/dbraw/zinc/00/83/29/396008329.db2.gz JKQKFMXZNVGPRW-NWDGAFQWSA-N 0 0 305.421 0.732 10 0 DCAERN CCN1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000249697498 396011140 /nfs/dbraw/zinc/01/11/40/396011140.db2.gz UUVSQFJZDTWUJY-AWEZNQCLSA-N 0 0 303.410 0.857 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)N1CCN(c2cncc3ncnn32)CC1 ZINC000276593721 396013269 /nfs/dbraw/zinc/01/32/69/396013269.db2.gz VASPASRQSGXIAA-RYUDHWBXSA-N 0 0 315.381 0.612 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1CCO ZINC000250092227 396013414 /nfs/dbraw/zinc/01/34/14/396013414.db2.gz QIMPSKXWCFVXQC-IUODEOHRSA-N 0 0 318.373 0.293 10 0 DCAERN O=C(NCCn1ccnc1)N1CCC(Nc2cccnn2)CC1 ZINC000152724379 396014855 /nfs/dbraw/zinc/01/48/55/396014855.db2.gz MIZPVKXUWIVEQB-UHFFFAOYSA-N 0 0 315.381 0.959 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000276643223 396017484 /nfs/dbraw/zinc/01/74/84/396017484.db2.gz RAHSZGSWLWZJHP-QMMMGPOBSA-N 0 0 303.318 0.886 10 0 DCAERN O=C1CC[C@H](Nc2ncc(I)cn2)CN1 ZINC000165189447 396087274 /nfs/dbraw/zinc/08/72/74/396087274.db2.gz GYTRTNGENXCLPU-ZETCQYMHSA-N 0 0 318.118 0.772 10 0 DCAERN O=C1CC[C@@H](CNc2ncc(I)cn2)N1 ZINC000165195301 396087901 /nfs/dbraw/zinc/08/79/01/396087901.db2.gz FCUAINCSINJHCU-ZETCQYMHSA-N 0 0 318.118 0.772 10 0 DCAERN c1nc(N2CCOCC2)cc(N2CCO[C@@]3(CCOC3)C2)n1 ZINC000277975461 396098418 /nfs/dbraw/zinc/09/84/18/396098418.db2.gz ZCCATUXJAOVYDJ-HNNXBMFYSA-N 0 0 306.366 0.309 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)NCc1ccc(CO)c(F)c1 ZINC000170853200 396098772 /nfs/dbraw/zinc/09/87/72/396098772.db2.gz CYHKUPNTTZIYBC-UHFFFAOYSA-N 0 0 308.309 0.473 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)C1CCCCC1)N1CCOCC1 ZINC000170839119 396098781 /nfs/dbraw/zinc/09/87/81/396098781.db2.gz WHQSZWURVBKIFN-ZFWWWQNUSA-N 0 0 313.442 0.948 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCCOC2)cc1 ZINC000070303170 396100983 /nfs/dbraw/zinc/10/09/83/396100983.db2.gz QGCXZUMXFRKCNH-GFCCVEGCSA-N 0 0 313.375 0.859 10 0 DCAERN C[C@H](c1cccnc1)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262154079 396105131 /nfs/dbraw/zinc/10/51/31/396105131.db2.gz GGMGZAGKPCRSCQ-GFCCVEGCSA-N 0 0 302.382 0.802 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@@H](O)C2)c2ccccc2c1=O ZINC000070870992 396106242 /nfs/dbraw/zinc/10/62/42/396106242.db2.gz MGXVLVGYMHAFGO-LLVKDONJSA-N 0 0 301.346 0.459 10 0 DCAERN Cc1ncc(CN2CCN(CCN3C(=O)CCC3=O)CC2)s1 ZINC000171556668 396118405 /nfs/dbraw/zinc/11/84/05/396118405.db2.gz CZONGPVENPNTPI-UHFFFAOYSA-N 0 0 322.434 0.718 10 0 DCAERN O=C(NCCNC(=O)N1CCN(C2CC2)CC1)c1ccco1 ZINC000171607299 396119581 /nfs/dbraw/zinc/11/95/81/396119581.db2.gz IKQWJWGIGJPQJX-UHFFFAOYSA-N 0 0 306.366 0.499 10 0 DCAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N[C@H]1CCCOC1 ZINC000171624647 396120328 /nfs/dbraw/zinc/12/03/28/396120328.db2.gz KCQJDOABAUQAJY-NSHDSACASA-N 0 0 315.333 0.501 10 0 DCAERN O=C(Nc1ccccc1-n1ccnn1)C(=O)N[C@H]1CCCOC1 ZINC000171624301 396120407 /nfs/dbraw/zinc/12/04/07/396120407.db2.gz JVHAPQWHWQRXAV-NSHDSACASA-N 0 0 315.333 0.501 10 0 DCAERN Cc1ncsc1CN(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000171696540 396122358 /nfs/dbraw/zinc/12/23/58/396122358.db2.gz HRCLFCLWXKTQTD-UHFFFAOYSA-N 0 0 310.379 0.740 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000171744833 396124244 /nfs/dbraw/zinc/12/42/44/396124244.db2.gz DMMVTRDXMARXQS-NEPJUHHUSA-N 0 0 323.343 0.698 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)S(C)(=O)=O ZINC000172141099 396128585 /nfs/dbraw/zinc/12/85/85/396128585.db2.gz RSPBVBXBEKDUOR-WDEREUQCSA-N 0 0 304.412 0.279 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NCCn3cccn3)C2)cn1 ZINC000174946938 396139844 /nfs/dbraw/zinc/13/98/44/396139844.db2.gz WCMMSLKRLPTAEK-ZDUSSCGKSA-N 0 0 317.397 0.585 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)c1cccc(CN2CCCC2=O)c1 ZINC000069332747 396075400 /nfs/dbraw/zinc/07/54/00/396075400.db2.gz TURAXNUWZJSRDU-CQSZACIVSA-N 0 0 315.373 0.817 10 0 DCAERN Cc1nnc2n1CCN(Cc1cc(=O)n3cc(C)ccc3n1)C2 ZINC000069484992 396080312 /nfs/dbraw/zinc/08/03/12/396080312.db2.gz XZYVYCPSDWUZDX-UHFFFAOYSA-N 0 0 310.361 0.919 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC000162512890 396081113 /nfs/dbraw/zinc/08/11/13/396081113.db2.gz QEXIMCXFJAEGFX-CYBMUJFWSA-N 0 0 304.394 0.680 10 0 DCAERN O=C(N1CCC[C@@H](n2cncn2)C1)C(F)(F)C1(O)CCC1 ZINC000162993416 396085088 /nfs/dbraw/zinc/08/50/88/396085088.db2.gz DJJWDBVWLAMKNZ-SNVBAGLBSA-N 0 0 300.309 0.992 10 0 DCAERN O=C(N1CCC[C@H](n2cncn2)C1)C(F)(F)C1(O)CCC1 ZINC000162993538 396085118 /nfs/dbraw/zinc/08/51/18/396085118.db2.gz DJJWDBVWLAMKNZ-JTQLQIEISA-N 0 0 300.309 0.992 10 0 DCAERN CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000175944383 396147195 /nfs/dbraw/zinc/14/71/95/396147195.db2.gz XWZOLSKQSRWBDN-AWEZNQCLSA-N 0 0 306.410 0.968 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000176429379 396154451 /nfs/dbraw/zinc/15/44/51/396154451.db2.gz XMTKEWPWYCMPSC-VIFPVBQESA-N 0 0 305.425 0.910 10 0 DCAERN CC1(C)CN(C(=O)c2ccc3nccn3c2)CCS1(=O)=O ZINC000177164860 396167944 /nfs/dbraw/zinc/16/79/44/396167944.db2.gz YKAYUKGTPIJFIM-UHFFFAOYSA-N 0 0 307.375 0.984 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000177211620 396169428 /nfs/dbraw/zinc/16/94/28/396169428.db2.gz DQNUJABMIIYGGZ-GFCCVEGCSA-N 0 0 301.350 0.923 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)Cc3cnccn3)C2=O)n(C)n1 ZINC000177250179 396170216 /nfs/dbraw/zinc/17/02/16/396170216.db2.gz UKOQJPUTDBQUTB-CYBMUJFWSA-N 0 0 300.366 0.756 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](NC(=O)C(C)C)C2)nn1 ZINC000074745626 396171276 /nfs/dbraw/zinc/17/12/76/396171276.db2.gz DGEUREZUDMODGZ-NSHDSACASA-N 0 0 305.382 0.577 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177343860 396173014 /nfs/dbraw/zinc/17/30/14/396173014.db2.gz OYXXAXHZOYHAHI-QWRGUYRKSA-N 0 0 308.386 0.717 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262691662 396173240 /nfs/dbraw/zinc/17/32/40/396173240.db2.gz AMLCRWZFTIHWIU-SNVBAGLBSA-N 0 0 303.353 0.701 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000177460755 396176897 /nfs/dbraw/zinc/17/68/97/396176897.db2.gz VIDUDLSKAQJOAN-SNVBAGLBSA-N 0 0 314.411 0.274 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCn2ncnc21 ZINC000177617137 396179859 /nfs/dbraw/zinc/17/98/59/396179859.db2.gz MGVPDZGCXQIYHG-VHSXEESVSA-N 0 0 309.395 0.541 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1nccs1 ZINC000075516779 396181175 /nfs/dbraw/zinc/18/11/75/396181175.db2.gz ZYCPSJUDZXTAMS-NXEZZACHSA-N 0 0 315.420 0.415 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000177911873 396185954 /nfs/dbraw/zinc/18/59/54/396185954.db2.gz KFLOGMWEKROIMW-INIZCTEOSA-N 0 0 317.345 0.741 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000262942861 396193028 /nfs/dbraw/zinc/19/30/28/396193028.db2.gz IYCWUTMSYLRXOM-VXGBXAGGSA-N 0 0 300.305 0.842 10 0 DCAERN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263000876 396197152 /nfs/dbraw/zinc/19/71/52/396197152.db2.gz OTTJDUHPTSATNT-SNVBAGLBSA-N 0 0 313.304 0.561 10 0 DCAERN O=C(Cn1cc(NC(=O)[C@H]2CC(F)(F)CN2)cn1)NC1CC1 ZINC000263066444 396199924 /nfs/dbraw/zinc/19/99/24/396199924.db2.gz VYJKHHYIZHKWSS-SNVBAGLBSA-N 0 0 313.308 0.097 10 0 DCAERN COc1ccc(CNC(=O)CN(C)CCS(C)(=O)=O)cc1 ZINC000076341547 396202143 /nfs/dbraw/zinc/20/21/43/396202143.db2.gz HCMSPECMRKEBJO-UHFFFAOYSA-N 0 0 314.407 0.288 10 0 DCAERN Cn1ccnc1CN1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263164864 396204554 /nfs/dbraw/zinc/20/45/54/396204554.db2.gz FDFHAUJIIXIABP-LLVKDONJSA-N 0 0 313.352 0.062 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccncc2)cn1C ZINC000180968939 396236034 /nfs/dbraw/zinc/23/60/34/396236034.db2.gz WEBVYHOJISMYJB-UHFFFAOYSA-N 0 0 322.390 0.600 10 0 DCAERN CN1CC[C@@H](Nc2cnn(C)c(=O)c2Br)C1=O ZINC000078020684 396237941 /nfs/dbraw/zinc/23/79/41/396237941.db2.gz QPHMXNWZTBRWGO-ZCFIWIBFSA-N 0 0 301.144 0.185 10 0 DCAERN CCOCCS(=O)(=O)NCCCc1c(C)nn(C)c1C ZINC000181501661 396239937 /nfs/dbraw/zinc/23/99/37/396239937.db2.gz OGNQWLKSERWLRY-UHFFFAOYSA-N 0 0 303.428 0.925 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282327420 396281476 /nfs/dbraw/zinc/28/14/76/396281476.db2.gz KCKYAWBMPBZBMW-LLVKDONJSA-N 0 0 304.346 0.957 10 0 DCAERN CNC(=O)c1ccc(N2CCN(C3=NC[C@@H](C)S3)CC2)nn1 ZINC000080605902 396283531 /nfs/dbraw/zinc/28/35/31/396283531.db2.gz KBXJTJAEQFVRIF-SNVBAGLBSA-N 0 0 320.422 0.450 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N(C)CCn1cccn1 ZINC000182669139 396252482 /nfs/dbraw/zinc/25/24/82/396252482.db2.gz CPHRYUNXEOGHKS-UHFFFAOYSA-N 0 0 314.349 0.946 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)n1 ZINC000182986962 396258175 /nfs/dbraw/zinc/25/81/75/396258175.db2.gz ALTVVCZHCXMKAE-WHFBIAKZSA-N 0 0 307.232 0.209 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000080600430 396282320 /nfs/dbraw/zinc/28/23/20/396282320.db2.gz UYHAJUXQZHIDHW-LLVKDONJSA-N 0 0 305.382 0.721 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183093781 396261334 /nfs/dbraw/zinc/26/13/34/396261334.db2.gz QQLSNBQQKANTFG-MFKMUULPSA-N 0 0 304.350 0.218 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cnsn1 ZINC000183123653 396262571 /nfs/dbraw/zinc/26/25/71/396262571.db2.gz CWIJMLJUJKYOIJ-SNVBAGLBSA-N 0 0 303.347 0.859 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(F)c(C)c1 ZINC000183784002 396274477 /nfs/dbraw/zinc/27/44/77/396274477.db2.gz DBVODMFHOCIVQA-MFKMUULPSA-N 0 0 308.309 0.601 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2nccn(C)c2=O)C[C@H]1C ZINC000183792820 396275225 /nfs/dbraw/zinc/27/52/25/396275225.db2.gz KKAAGZPFJFBXJT-GFCCVEGCSA-N 0 0 323.397 0.355 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCN(c3cccs3)C(=O)C2)C1 ZINC000184068291 396283223 /nfs/dbraw/zinc/28/32/23/396283223.db2.gz MZIUQIFVCAXVCJ-LLVKDONJSA-N 0 0 309.391 0.254 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCCCO3)CC2)ncn1 ZINC000183839916 396275891 /nfs/dbraw/zinc/27/58/91/396275891.db2.gz SYJGYDVIPWIPDH-LBPRGKRZSA-N 0 0 306.366 0.703 10 0 DCAERN COc1ccccc1C(=O)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000183881686 396276660 /nfs/dbraw/zinc/27/66/60/396276660.db2.gz JPTXIXZLAGLBIT-CYBMUJFWSA-N 0 0 318.373 0.857 10 0 DCAERN Nn1c(COc2ccc(F)cc2)nnc1S[C@@H]1CCNC1=O ZINC000179087417 396221233 /nfs/dbraw/zinc/22/12/33/396221233.db2.gz OVNLNUKJEHSISX-SNVBAGLBSA-N 0 0 323.353 0.691 10 0 DCAERN COc1ccccc1-c1nnc(S[C@H]2CCNC2=O)n1N ZINC000179081958 396221595 /nfs/dbraw/zinc/22/15/95/396221595.db2.gz CXGDLKJUOOOZGF-JTQLQIEISA-N 0 0 305.363 0.648 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)CC1 ZINC000179401671 396226824 /nfs/dbraw/zinc/22/68/24/396226824.db2.gz BQJFWVASGUHDMS-ZNMIVQPWSA-N 0 0 314.426 0.486 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1F ZINC000179647443 396228337 /nfs/dbraw/zinc/22/83/37/396228337.db2.gz ZABVHRSDILKVSE-OAHLLOKOSA-N 0 0 310.325 0.594 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NCc1cn2c(n1)CCCC2 ZINC000263768199 396230358 /nfs/dbraw/zinc/23/03/58/396230358.db2.gz MSTPMFXIXROHQT-NSHDSACASA-N 0 0 303.370 0.699 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCCOC)CCN1C[C@@H](C)O ZINC000184955442 396311522 /nfs/dbraw/zinc/31/15/22/396311522.db2.gz OXWOJQRSCIFQQC-ZIAGYGMSSA-N 0 0 322.471 0.520 10 0 DCAERN CN(CC(=O)N1CCOCC1)Cc1cc(-c2cnn(C)c2)no1 ZINC000184978065 396312689 /nfs/dbraw/zinc/31/26/89/396312689.db2.gz QAQUHTHGXNXOAC-UHFFFAOYSA-N 0 0 319.365 0.366 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185022148 396314352 /nfs/dbraw/zinc/31/43/52/396314352.db2.gz UBDZIIKNJHQSQL-LBPRGKRZSA-N 0 0 304.350 0.172 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000185092277 396317365 /nfs/dbraw/zinc/31/73/65/396317365.db2.gz JQOQTHMJNLLPSH-CYBMUJFWSA-N 0 0 300.305 0.445 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000083750117 396317457 /nfs/dbraw/zinc/31/74/57/396317457.db2.gz UWTKFTLMQLHWPB-LBPRGKRZSA-N 0 0 318.381 0.438 10 0 DCAERN CNC(=O)NCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185105965 396317677 /nfs/dbraw/zinc/31/76/77/396317677.db2.gz WABIBYJJIKVRHB-UHFFFAOYSA-N 0 0 301.350 0.916 10 0 DCAERN Cn1c(CN2CCO[C@@]3(CCOC3)C2)nc2ccccc2c1=O ZINC000185134086 396318510 /nfs/dbraw/zinc/31/85/10/396318510.db2.gz SERYGLVQKZSNMJ-KRWDZBQOSA-N 0 0 315.373 0.925 10 0 DCAERN O=S(=O)(c1ccc(CN2C[C@H](O)C[C@@H]2CO)cc1)C(F)F ZINC000185137959 396318756 /nfs/dbraw/zinc/31/87/56/396318756.db2.gz ZTGNEQVCCDLYGH-GHMZBOCLSA-N 0 0 321.345 0.610 10 0 DCAERN Cc1sc2[nH]c(CN3C[C@H](O)C[C@@H]3CO)nc(=O)c2c1C ZINC000185155847 396319297 /nfs/dbraw/zinc/31/92/97/396319297.db2.gz HPCIDBWECVOTQN-NXEZZACHSA-N 0 0 309.391 0.529 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccncc2F)C1 ZINC000184204824 396287574 /nfs/dbraw/zinc/28/75/74/396287574.db2.gz SXXGVWFECUKGKA-MRVPVSSYSA-N 0 0 302.331 0.376 10 0 DCAERN O=C(NC[C@@H](O)CO)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000184252562 396289001 /nfs/dbraw/zinc/28/90/01/396289001.db2.gz BSCTWDIDLYSVPL-MNOVXSKESA-N 0 0 306.284 0.812 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000185148570 396319647 /nfs/dbraw/zinc/31/96/47/396319647.db2.gz KSJHEFGZVMPPNT-LBPRGKRZSA-N 0 0 309.366 0.214 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000184347318 396292731 /nfs/dbraw/zinc/29/27/31/396292731.db2.gz NEZPGFWOPYDAKL-DGCLKSJQSA-N 0 0 312.391 0.513 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCC(=O)Nc1cccc(F)c1 ZINC000184412678 396294363 /nfs/dbraw/zinc/29/43/63/396294363.db2.gz FNICRAFEXQJRAL-SKDRFNHKSA-N 0 0 316.354 0.861 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000184474510 396296663 /nfs/dbraw/zinc/29/66/63/396296663.db2.gz JMWKNIQXGXUMSW-TZMCWYRMSA-N 0 0 302.440 0.472 10 0 DCAERN CCN(C)C(=O)CNC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000184489075 396297024 /nfs/dbraw/zinc/29/70/24/396297024.db2.gz SLARXAFFEVUQEP-CQSZACIVSA-N 0 0 305.378 0.848 10 0 DCAERN CC1(Cn2cc(C(=O)N3CC[C@H]4OCCC[C@H]4C3)nn2)COC1 ZINC000185163946 396320257 /nfs/dbraw/zinc/32/02/57/396320257.db2.gz JACHQROSIKDNDU-GXTWGEPZSA-N 0 0 320.393 0.956 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)CCc2ccnn2C)CC1 ZINC000184734080 396304053 /nfs/dbraw/zinc/30/40/53/396304053.db2.gz OTKSLQZTZBQDOI-UHFFFAOYSA-N 0 0 322.409 0.450 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCCOC)CCN1CCOC ZINC000184749871 396305142 /nfs/dbraw/zinc/30/51/42/396305142.db2.gz NSFQKSPZASSKCB-AWEZNQCLSA-N 0 0 322.471 0.785 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000185159330 396320443 /nfs/dbraw/zinc/32/04/43/396320443.db2.gz ZJCLCDCIDMJXPY-GHMZBOCLSA-N 0 0 311.348 0.442 10 0 DCAERN CN(C(=O)CN1C[C@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161860 396320563 /nfs/dbraw/zinc/32/05/63/396320563.db2.gz QHEKCJAHUXQFEC-GHMZBOCLSA-N 0 0 321.402 0.687 10 0 DCAERN CCc1nnc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163031 396320575 /nfs/dbraw/zinc/32/05/75/396320575.db2.gz VSAQPZWPMVSXKJ-GFCCVEGCSA-N 0 0 307.398 0.438 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2cscn2)cn1 ZINC000184834560 396307507 /nfs/dbraw/zinc/30/75/07/396307507.db2.gz ZKRFFKFUCPLWHI-UHFFFAOYSA-N 0 0 312.376 0.376 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc21 ZINC000184868481 396309521 /nfs/dbraw/zinc/30/95/21/396309521.db2.gz AILIAFBAKXWLFJ-LSDHHAIUSA-N 0 0 316.361 0.988 10 0 DCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000184876737 396309581 /nfs/dbraw/zinc/30/95/81/396309581.db2.gz LJDYMRWADBKONH-BFHYXJOUSA-N 0 0 319.409 0.858 10 0 DCAERN Cc1c(CNC(=O)c2cn(CC3(C)COC3)nn2)cnn1C ZINC000185206006 396321703 /nfs/dbraw/zinc/32/17/03/396321703.db2.gz CHRHOLRVKJPTCM-UHFFFAOYSA-N 0 0 304.354 0.287 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCOCc2ccccc2)C1 ZINC000185237042 396322464 /nfs/dbraw/zinc/32/24/64/396322464.db2.gz BQWJSSBTVZQLRO-UHFFFAOYSA-N 0 0 306.362 0.567 10 0 DCAERN CCc1nsc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000185267998 396323921 /nfs/dbraw/zinc/32/39/21/396323921.db2.gz PZBCBCUGPBXDGR-UHFFFAOYSA-N 0 0 323.426 0.872 10 0 DCAERN Cn1nc(C(=O)NC[C@@H]2CN(C)CCO2)cc1OC(F)F ZINC000185343509 396324964 /nfs/dbraw/zinc/32/49/64/396324964.db2.gz MGDULUAUKMWLNB-MRVPVSSYSA-N 0 0 304.297 0.082 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2nc(C)c(C)s2)C1 ZINC000185570324 396330710 /nfs/dbraw/zinc/33/07/10/396330710.db2.gz WTCFJQMHAMFZLW-UHFFFAOYSA-N 0 0 312.395 0.416 10 0 DCAERN C[C@@H](c1nccs1)N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000185696579 396333511 /nfs/dbraw/zinc/33/35/11/396333511.db2.gz RWOSSKJZPNQBMM-NSHDSACASA-N 0 0 310.423 0.827 10 0 DCAERN C[C@@H](NCC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nn1 ZINC000185473970 396328883 /nfs/dbraw/zinc/32/88/83/396328883.db2.gz BPLNCXIECOMOMB-LLVKDONJSA-N 0 0 314.349 0.470 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCO[C@]4(CCOC4)C3)cc12 ZINC000186053919 396340082 /nfs/dbraw/zinc/34/00/82/396340082.db2.gz DOAHHODQUQPLBX-OAHLLOKOSA-N 0 0 302.334 0.898 10 0 DCAERN CN(Cc1ccccc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000185852617 396336013 /nfs/dbraw/zinc/33/60/13/396336013.db2.gz GWPYPYYGCFDXBO-CYBMUJFWSA-N 0 0 311.407 0.862 10 0 DCAERN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)CO2 ZINC000186196153 396344529 /nfs/dbraw/zinc/34/45/29/396344529.db2.gz WGAYSYJHSYQZGB-RYUDHWBXSA-N 0 0 302.330 0.701 10 0 DCAERN COCC(=O)NC1CN(C(=O)C(=O)c2ccc(Cl)cc2)C1 ZINC000186315680 396347474 /nfs/dbraw/zinc/34/74/74/396347474.db2.gz JNRHLSZYFYJYHG-UHFFFAOYSA-N 0 0 310.737 0.496 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000186305922 396347634 /nfs/dbraw/zinc/34/76/34/396347634.db2.gz WOBUYVABDUNHDT-LBPRGKRZSA-N 0 0 310.350 0.595 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000186692682 396355628 /nfs/dbraw/zinc/35/56/28/396355628.db2.gz HZEQDSZZZCDTRQ-LBPRGKRZSA-N 0 0 308.378 0.930 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCCN1CCO[C@H](CO)C1 ZINC000267345663 396355743 /nfs/dbraw/zinc/35/57/43/396355743.db2.gz DRSIJDCIVBGOGW-LBPRGKRZSA-N 0 0 304.346 0.366 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186783225 396357310 /nfs/dbraw/zinc/35/73/10/396357310.db2.gz QTXKDWLFNSPEKN-WDEREUQCSA-N 0 0 322.365 0.651 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN(C)CC1(CO)CC1)c1ccccc1 ZINC000186801257 396358477 /nfs/dbraw/zinc/35/84/77/396358477.db2.gz HDVYIYAJWVOWGD-OAHLLOKOSA-N 0 0 319.405 0.294 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1COCCN1CC(F)F ZINC000186945201 396360156 /nfs/dbraw/zinc/36/01/56/396360156.db2.gz JSNOYUXNEBTBAM-JTQLQIEISA-N 0 0 321.368 0.325 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n[nH]1 ZINC000187268586 396365636 /nfs/dbraw/zinc/36/56/36/396365636.db2.gz OIJKHTYHGMNCKX-UHFFFAOYSA-N 0 0 305.304 0.519 10 0 DCAERN Cc1nccn1CCCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187265876 396365651 /nfs/dbraw/zinc/36/56/51/396365651.db2.gz FGXDQVWWVSURQW-UHFFFAOYSA-N 0 0 319.409 0.892 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1c(C)cccc1F ZINC000187319519 396367172 /nfs/dbraw/zinc/36/71/72/396367172.db2.gz WJPPBONHPPMJGI-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)CC1=O ZINC000187452648 396369763 /nfs/dbraw/zinc/36/97/63/396369763.db2.gz WXUMCGCKCCORAP-LLVKDONJSA-N 0 0 322.409 0.306 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)NCc2ccnn2C)C1(C)C ZINC000187482789 396370575 /nfs/dbraw/zinc/37/05/75/396370575.db2.gz CIRKOYBXWXDFHF-SWLSCSKDSA-N 0 0 310.398 0.785 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(F)cc2C)C1 ZINC000285101282 396348116 /nfs/dbraw/zinc/34/81/16/396348116.db2.gz QCGSIRWTCNZRNX-NWDGAFQWSA-N 0 0 303.355 0.904 10 0 DCAERN COCCOCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186370007 396348822 /nfs/dbraw/zinc/34/88/22/396348822.db2.gz UXODYAMAWOFLCD-UHFFFAOYSA-N 0 0 322.409 0.966 10 0 DCAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285728075 396352332 /nfs/dbraw/zinc/35/23/32/396352332.db2.gz YFVXMSUQGHBOEG-MRXNPFEDSA-N 0 0 306.362 0.521 10 0 DCAERN NC(=O)C[C@H](NC(=O)c1cn2ccnc2s1)C1CCOCC1 ZINC000188752114 396386067 /nfs/dbraw/zinc/38/60/67/396386067.db2.gz NAUBIVVIZUFKDS-JTQLQIEISA-N 0 0 322.390 0.796 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2cccnc2)CCN1CCO ZINC000188807710 396386571 /nfs/dbraw/zinc/38/65/71/396386571.db2.gz CXKWXDLRYAOJAT-CYBMUJFWSA-N 0 0 309.435 0.840 10 0 DCAERN COC(=O)Cc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000188815937 396387490 /nfs/dbraw/zinc/38/74/90/396387490.db2.gz PVNWVLGWSSVZDV-AWEZNQCLSA-N 0 0 306.362 0.463 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCCNC(=O)[C@H]1C ZINC000188873503 396387892 /nfs/dbraw/zinc/38/78/92/396387892.db2.gz QZSINYPYUYDVAK-LLVKDONJSA-N 0 0 304.412 0.328 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)CC1=O ZINC000188907193 396388326 /nfs/dbraw/zinc/38/83/26/396388326.db2.gz MQVKBKRKNYZZPF-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCO[C@H](CO)C1 ZINC000269166138 396390756 /nfs/dbraw/zinc/39/07/56/396390756.db2.gz FTJJPOHXDXHHHO-BFHYXJOUSA-N 0 0 319.357 0.781 10 0 DCAERN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCO[C@@H](CO)C1 ZINC000269160730 396390832 /nfs/dbraw/zinc/39/08/32/396390832.db2.gz XTWNLEKCJYMRRB-ZYHUDNBSSA-N 0 0 308.309 0.471 10 0 DCAERN COCCN1CCCN(C(=O)C[C@H](O)c2ccccc2)CC1=O ZINC000189308600 396393543 /nfs/dbraw/zinc/39/35/43/396393543.db2.gz FZSLKRCTMKVVIH-HNNXBMFYSA-N 0 0 320.389 0.817 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1CC(CO)C1 ZINC000189547019 396396390 /nfs/dbraw/zinc/39/63/90/396396390.db2.gz DNOZMVFNZRODKU-NSHDSACASA-N 0 0 310.785 0.947 10 0 DCAERN Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189750299 396398332 /nfs/dbraw/zinc/39/83/32/396398332.db2.gz JEZZJSXLOUCIHX-CYBMUJFWSA-N 0 0 317.389 0.804 10 0 DCAERN Cc1cc(N2CCN(C(=O)CNCC(F)(F)F)CC2)n[nH]1 ZINC000189732067 396398446 /nfs/dbraw/zinc/39/84/46/396398446.db2.gz UPZRQMCENPNYHK-UHFFFAOYSA-N 0 0 305.304 0.519 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000189839457 396399982 /nfs/dbraw/zinc/39/99/82/396399982.db2.gz ZIIIFGHLFIJTGO-QMMMGPOBSA-N 0 0 307.272 0.772 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000189866657 396400287 /nfs/dbraw/zinc/40/02/87/396400287.db2.gz YDJZFDQPICRADV-MWLCHTKSSA-N 0 0 309.391 0.942 10 0 DCAERN COCCn1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000189924945 396400982 /nfs/dbraw/zinc/40/09/82/396400982.db2.gz OBZHHDOGPWMMPU-CYBMUJFWSA-N 0 0 308.382 0.076 10 0 DCAERN COc1cccc(CCCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c1 ZINC000193111028 396444197 /nfs/dbraw/zinc/44/41/97/396444197.db2.gz YEWMQJVFDSHIRE-GDBMZVCRSA-N 0 0 320.389 0.726 10 0 DCAERN COCCn1ccc(C(=O)N2CCc3ncnc(OC)c3C2)n1 ZINC000190058200 396402135 /nfs/dbraw/zinc/40/21/35/396402135.db2.gz WKYRNDDEEGULKA-UHFFFAOYSA-N 0 0 317.349 0.527 10 0 DCAERN CNS(=O)(=O)CCNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190355341 396404954 /nfs/dbraw/zinc/40/49/54/396404954.db2.gz OQORPPKBYVAINS-UHFFFAOYSA-N 0 0 323.378 0.747 10 0 DCAERN C[C@H](C(N)=O)[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190498782 396407311 /nfs/dbraw/zinc/40/73/11/396407311.db2.gz XNVUMJXMOIPPAW-OLZOCXBDSA-N 0 0 313.442 0.988 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC1=O ZINC000190645810 396409812 /nfs/dbraw/zinc/40/98/12/396409812.db2.gz GOAQEXCJJABVMP-UHFFFAOYSA-N 0 0 323.418 0.879 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190671504 396409911 /nfs/dbraw/zinc/40/99/11/396409911.db2.gz GCHYTCCRCNLYAA-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772377 396410838 /nfs/dbraw/zinc/41/08/38/396410838.db2.gz MFXBXYGEPCIVOQ-KGLIPLIRSA-N 0 0 313.442 0.860 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000287629598 396412617 /nfs/dbraw/zinc/41/26/17/396412617.db2.gz UEAKPJHNFTXQMC-LSDHHAIUSA-N 0 0 320.393 0.721 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000190992554 396414042 /nfs/dbraw/zinc/41/40/42/396414042.db2.gz GFLRAEYWRYWDPX-SNVBAGLBSA-N 0 0 310.375 0.521 10 0 DCAERN CCN1CN([C@@H]2CCN(c3ccccc3OC)C2=O)CC1=O ZINC000191533294 396421094 /nfs/dbraw/zinc/42/10/94/396421094.db2.gz AMHMQSMWPBDWBK-CYBMUJFWSA-N 0 0 303.362 0.922 10 0 DCAERN CN1CCCN(C(=O)NCCCN2CCCCCC2=O)CC1=O ZINC000191907787 396426819 /nfs/dbraw/zinc/42/68/19/396426819.db2.gz CXUCSDVPQRMAEM-UHFFFAOYSA-N 0 0 324.425 0.653 10 0 DCAERN COc1c(CN2CC[C@@H](C)S(=O)(=O)CC2)c(C)nn1C ZINC000192049196 396429415 /nfs/dbraw/zinc/42/94/15/396429415.db2.gz ZVDZJYYVKMPPKQ-SNVBAGLBSA-N 0 0 301.412 0.746 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cc(-c2ccco2)on1 ZINC000192707592 396435739 /nfs/dbraw/zinc/43/57/39/396435739.db2.gz GWUIYKAOVCLDDS-NSHDSACASA-N 0 0 321.333 0.358 10 0 DCAERN CN1C(=O)CN(c2nccc(OCc3ccccc3)n2)CC1=O ZINC000192789799 396437528 /nfs/dbraw/zinc/43/75/28/396437528.db2.gz AQUPXIFRANYWLU-UHFFFAOYSA-N 0 0 312.329 0.861 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCN2CCO[C@H](C)C2)C1 ZINC000192835538 396439092 /nfs/dbraw/zinc/43/90/92/396439092.db2.gz XZVSATZFSFBJJN-KWCYVHTRSA-N 0 0 310.398 0.861 10 0 DCAERN Cc1nnsc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000192954891 396440831 /nfs/dbraw/zinc/44/08/31/396440831.db2.gz PWFBTERYHYXZTI-LLVKDONJSA-N 0 0 324.406 0.558 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)n1 ZINC000193001028 396441607 /nfs/dbraw/zinc/44/16/07/396441607.db2.gz RHWYFHJQTBSVMJ-VIFPVBQESA-N 0 0 324.406 0.942 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@@H](C)CO1 ZINC000291741975 396509840 /nfs/dbraw/zinc/50/98/40/396509840.db2.gz LTVWIOCSSUEWGV-UWVGGRQHSA-N 0 0 306.366 0.872 10 0 DCAERN CN(C)C(=O)CNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193237938 396447014 /nfs/dbraw/zinc/44/70/14/396447014.db2.gz NABQLECIYTUQSO-LLVKDONJSA-N 0 0 304.350 0.500 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)n1 ZINC000193271435 396447691 /nfs/dbraw/zinc/44/76/91/396447691.db2.gz IGKDLTGYOMDMKU-ONXXMXGDSA-N 0 0 303.362 0.948 10 0 DCAERN COC(=O)C1(NC(=O)Cn2c3ccccc3[nH]c2=O)CCCC1 ZINC000193452691 396451137 /nfs/dbraw/zinc/45/11/37/396451137.db2.gz LRTRCTXGSXXKDJ-UHFFFAOYSA-N 0 0 317.345 0.932 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000289009506 396452411 /nfs/dbraw/zinc/45/24/11/396452411.db2.gz UTRMDBWXXISCEA-UHFFFAOYSA-N 0 0 315.782 0.738 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c(C)c1 ZINC000289040465 396453618 /nfs/dbraw/zinc/45/36/18/396453618.db2.gz XIZPDVAWZKRYQK-UHFFFAOYSA-N 0 0 309.391 0.702 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000270104391 396461485 /nfs/dbraw/zinc/46/14/85/396461485.db2.gz ONNJRUUMZFVBCL-OGHNNQOOSA-N 0 0 319.357 0.829 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2[C@H](C)COC[C@H]2C)co1 ZINC000270169957 396462455 /nfs/dbraw/zinc/46/24/55/396462455.db2.gz KXKYNPOSKUQUFP-RKDXNWHRSA-N 0 0 302.352 0.437 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000371556431 396470507 /nfs/dbraw/zinc/47/05/07/396470507.db2.gz YNPNTOWOIQZCOB-UHFFFAOYSA-N 0 0 320.374 0.769 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371796513 396476766 /nfs/dbraw/zinc/47/67/66/396476766.db2.gz QNUVTHDAVQUMJR-OAHLLOKOSA-N 0 0 318.373 0.811 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)N1CCc2ccccc21 ZINC000371828180 396477859 /nfs/dbraw/zinc/47/78/59/396477859.db2.gz FHNQCUBACRTTQH-OAHLLOKOSA-N 0 0 301.390 0.592 10 0 DCAERN Cc1nn2c(CN3CCN4CCOC[C@@H]4C3)c(C)nc2s1 ZINC000371889276 396479615 /nfs/dbraw/zinc/47/96/15/396479615.db2.gz WWFMUUDZSXWHIR-LBPRGKRZSA-N 0 0 307.423 0.924 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC23CCC3)C1 ZINC000530725492 396581620 /nfs/dbraw/zinc/58/16/20/396581620.db2.gz AHZXRZYZAVMDLX-LLVKDONJSA-N 0 0 301.412 0.748 10 0 DCAERN C[C@H]1CN(C(=O)NCc2nnn(C)n2)C[C@@H](c2ccccc2)O1 ZINC000373337313 396584834 /nfs/dbraw/zinc/58/48/34/396584834.db2.gz MOBKMEKHZJSMEB-AAEUAGOBSA-N 0 0 316.365 0.882 10 0 DCAERN CCN(C(=O)C(=O)Nc1ccc2nccn2c1)[C@H]1CCNC1=O ZINC000581230099 396535967 /nfs/dbraw/zinc/53/59/67/396535967.db2.gz YNLGRRLVSGONAF-NSHDSACASA-N 0 0 315.333 0.010 10 0 DCAERN COC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000372762975 396544481 /nfs/dbraw/zinc/54/44/81/396544481.db2.gz GUOLNTQMMVZVCA-MWLCHTKSSA-N 0 0 322.365 0.908 10 0 DCAERN Cn1cc([C@H]2[C@H](CNC(=O)C3(C)COC3)CC(=O)N2C)cn1 ZINC000373018067 396560459 /nfs/dbraw/zinc/56/04/59/396560459.db2.gz IUGXRKUDSRHHKP-GXFFZTMASA-N 0 0 306.366 0.092 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000373129666 396569276 /nfs/dbraw/zinc/56/92/76/396569276.db2.gz ZRABPFMXWGRIIZ-XQQFMLRXSA-N 0 0 317.455 0.545 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218474 396647961 /nfs/dbraw/zinc/64/79/61/396647961.db2.gz SEJVFQCVOZREIH-KFWWJZLASA-N 0 0 308.353 0.791 10 0 DCAERN Cc1ncsc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585734157 396651060 /nfs/dbraw/zinc/65/10/60/396651060.db2.gz SBPXGYRYDPEFOZ-UHFFFAOYSA-N 0 0 303.409 0.607 10 0 DCAERN CCc1ncc(C(=O)NCCCN2CCCS2(=O)=O)s1 ZINC000585733353 396651457 /nfs/dbraw/zinc/65/14/57/396651457.db2.gz IOWADXUZHCODNF-UHFFFAOYSA-N 0 0 317.436 0.861 10 0 DCAERN COc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000373546111 396598591 /nfs/dbraw/zinc/59/85/91/396598591.db2.gz JTZJSUXAFMMUGI-ZIAGYGMSSA-N 0 0 306.362 0.602 10 0 DCAERN COc1ccccc1[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1 ZINC000374329913 396656309 /nfs/dbraw/zinc/65/63/09/396656309.db2.gz WCMBVFOKQOKMFT-OAHLLOKOSA-N 0 0 317.389 0.646 10 0 DCAERN NC(=O)N[C@H](CO)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373926758 396624861 /nfs/dbraw/zinc/62/48/61/396624861.db2.gz WSQLPOMFQYMMHX-YUSALJHKSA-N 0 0 311.769 0.731 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 ZINC000374362912 396658001 /nfs/dbraw/zinc/65/80/01/396658001.db2.gz GZNBSBYFBQVPNP-UKRRQHHQSA-N 0 0 316.405 0.813 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)N1CCCC1=O ZINC000374141741 396641760 /nfs/dbraw/zinc/64/17/60/396641760.db2.gz MOJHAHQXHCEJEE-NFFDBFGFSA-N 0 0 321.421 0.759 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@H]2CCCCS2(=O)=O)C1=O ZINC000562403367 396661427 /nfs/dbraw/zinc/66/14/27/396661427.db2.gz HYCNATFNWHOZRM-NTYHVHHESA-N 0 0 300.380 0.840 10 0 DCAERN C[C@@H]1CCCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000586595733 396661631 /nfs/dbraw/zinc/66/16/31/396661631.db2.gz ZZGSJZDFTLTSCE-GFCCVEGCSA-N 0 0 303.428 0.996 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCOc2cccc(F)c2C1 ZINC000374502622 396668952 /nfs/dbraw/zinc/66/89/52/396668952.db2.gz GUGVAOSOEBSJLY-SNVBAGLBSA-N 0 0 310.325 0.698 10 0 DCAERN CCCCN(CCO)C(=O)NCCCN1CCCS1(=O)=O ZINC000587124206 396671209 /nfs/dbraw/zinc/67/12/09/396671209.db2.gz PLWXOSOYMHMTGQ-UHFFFAOYSA-N 0 0 321.443 0.216 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000374708374 396681836 /nfs/dbraw/zinc/68/18/36/396681836.db2.gz YQENCVGWWLJICT-QWHCGFSZSA-N 0 0 316.398 0.759 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3CC(n4ccnn4)C3)cc2C1=O ZINC000374802039 396688499 /nfs/dbraw/zinc/68/84/99/396688499.db2.gz UKMGLIRTMHJFKF-UHFFFAOYSA-N 0 0 311.301 0.201 10 0 DCAERN CCOC(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000374796841 396688536 /nfs/dbraw/zinc/68/85/36/396688536.db2.gz FXWYJSSREWAWIJ-LLVKDONJSA-N 0 0 307.354 0.530 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CC(F)(F)C[C@@H]1CO ZINC000374830813 396689829 /nfs/dbraw/zinc/68/98/29/396689829.db2.gz SZNANLVBOSNAFH-LLVKDONJSA-N 0 0 309.276 0.504 10 0 DCAERN O=C(c1cc(-c2ccncc2)on1)N1CCN2CCOC[C@H]2C1 ZINC000374930444 396698778 /nfs/dbraw/zinc/69/87/78/396698778.db2.gz MVOZYKRWLJCFPX-CYBMUJFWSA-N 0 0 314.345 0.893 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000374941488 396699555 /nfs/dbraw/zinc/69/95/55/396699555.db2.gz BXISPOGSYGPCTM-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375025810 396704597 /nfs/dbraw/zinc/70/45/97/396704597.db2.gz UREBFVZKMSKMJZ-JTQLQIEISA-N 0 0 315.366 0.536 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000375027152 396704897 /nfs/dbraw/zinc/70/48/97/396704897.db2.gz KGYXPINXZSJCTP-OCCSQVGLSA-N 0 0 322.409 0.980 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H](OC)C1 ZINC000300178527 396714938 /nfs/dbraw/zinc/71/49/38/396714938.db2.gz ZDGRJRXPRIGNQV-QJPTWQEYSA-N 0 0 305.396 0.769 10 0 DCAERN Cc1cc(I)nn1Cc1cn(C)nn1 ZINC000300876522 396715914 /nfs/dbraw/zinc/71/59/14/396715914.db2.gz LYTDNKFEYMFFMZ-UHFFFAOYSA-N 0 0 303.107 0.973 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2cc(=O)n3ccccc3n2)C1 ZINC000302551819 396720620 /nfs/dbraw/zinc/72/06/20/396720620.db2.gz KDXXAGQCTAIUPE-UHFFFAOYSA-N 0 0 322.390 0.388 10 0 DCAERN CCc1cc(=O)n2nc(N3C[C@H](C)O[C@H](COC)C3)sc2n1 ZINC000302559533 396720705 /nfs/dbraw/zinc/72/07/05/396720705.db2.gz MNEVXDGZSIMTQZ-ONGXEEELSA-N 0 0 324.406 0.954 10 0 DCAERN CC(C)CCOCCNC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000375242715 396721148 /nfs/dbraw/zinc/72/11/48/396721148.db2.gz PVSUBDKNXVTJKQ-HNNXBMFYSA-N 0 0 313.442 0.182 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nc(N)c3ccccc3n2)C1 ZINC000302595879 396721448 /nfs/dbraw/zinc/72/14/48/396721448.db2.gz XIUZXKRPGXAVRP-UHFFFAOYSA-N 0 0 321.406 0.905 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCCCCC1=O ZINC000302717788 396722323 /nfs/dbraw/zinc/72/23/23/396722323.db2.gz FQHDOMXEARULAE-CQSZACIVSA-N 0 0 309.410 0.906 10 0 DCAERN CCNC(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)nn1 ZINC000314590419 396784639 /nfs/dbraw/zinc/78/46/39/396784639.db2.gz QWZBOMJSFCIDKT-LLVKDONJSA-N 0 0 304.272 0.730 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC(CCO)(CCO)CC1)C(C)C ZINC000634108448 396788836 /nfs/dbraw/zinc/78/88/36/396788836.db2.gz FQYNFZPBONEOSQ-CQSZACIVSA-N 0 0 314.426 0.521 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375657472 396789187 /nfs/dbraw/zinc/78/91/87/396789187.db2.gz MFQOJHYAERMGLG-GFCCVEGCSA-N 0 0 301.339 0.448 10 0 DCAERN CCS(=O)(=O)NCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375438538 396746833 /nfs/dbraw/zinc/74/68/33/396746833.db2.gz PBEWBWLWZFSMBU-LLVKDONJSA-N 0 0 314.411 0.676 10 0 DCAERN O=C1NCC[C@H]1Nc1ncc(I)cn1 ZINC000596311613 396761755 /nfs/dbraw/zinc/76/17/55/396761755.db2.gz OKOIWZYUMGCPGL-ZCFIWIBFSA-N 0 0 304.091 0.382 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000312510156 396765091 /nfs/dbraw/zinc/76/50/91/396765091.db2.gz MYULZCWJBIGXES-QNWHQSFQSA-N 0 0 306.428 0.291 10 0 DCAERN CC(C)c1nnc2n1CCN(CCCOC(=O)NC(N)=O)[C@@H]2C ZINC000375526645 396765064 /nfs/dbraw/zinc/76/50/64/396765064.db2.gz SAOPUUZJDOEUIH-SNVBAGLBSA-N 0 0 324.385 0.973 10 0 DCAERN Cc1nc2cncc(N3CCN(C(=O)c4ccoc4)CC3)n2n1 ZINC000328628404 396826515 /nfs/dbraw/zinc/82/65/15/396826515.db2.gz HEQQDROGCUBJLB-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C[C@@H](O)C(F)(F)F)C1)C2 ZINC000328636078 396829609 /nfs/dbraw/zinc/82/96/09/396829609.db2.gz NVROHWIYGROFMM-SNVBAGLBSA-N 0 0 319.331 0.264 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000375839121 396832304 /nfs/dbraw/zinc/83/23/04/396832304.db2.gz LJSRNYCBGAOCLN-IACUBPJLSA-N 0 0 320.393 0.704 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CC[C@H]3OCCN(C)[C@@H]3C1)CC2 ZINC000328860195 396834405 /nfs/dbraw/zinc/83/44/05/396834405.db2.gz AHSJASWRBSBCDH-DAXOMENPSA-N 0 0 318.421 0.457 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCC[C@H]1Cn1ccnn1)CC2 ZINC000328988335 396836543 /nfs/dbraw/zinc/83/65/43/396836543.db2.gz CJIOXVJJVHDDLQ-JSGCOSHPSA-N 0 0 314.393 0.808 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H](O)C(F)(F)C1)C1CCCC1 ZINC000617817410 396837770 /nfs/dbraw/zinc/83/77/70/396837770.db2.gz MMZBAKXXONZMHX-NWDGAFQWSA-N 0 0 304.337 0.910 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)NC1CN(c2ccncn2)C1 ZINC000634451618 396853393 /nfs/dbraw/zinc/85/33/93/396853393.db2.gz RENATPBXQBPYHN-ZDUSSCGKSA-N 0 0 303.366 0.182 10 0 DCAERN CCCC[C@@H](C(=O)OC)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611430793 396866673 /nfs/dbraw/zinc/86/66/73/396866673.db2.gz BTQTZMCTWDPZCY-ZDUSSCGKSA-N 0 0 309.414 0.963 10 0 DCAERN C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CC(n2ccnn2)C1 ZINC000376049699 396866772 /nfs/dbraw/zinc/86/67/72/396866772.db2.gz FNDUYRBUVRCCRX-NSHDSACASA-N 0 0 300.318 0.941 10 0 DCAERN Cc1cc(CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)no1 ZINC000591072291 396873203 /nfs/dbraw/zinc/87/32/03/396873203.db2.gz WQQUCHMSCQLGRU-UHFFFAOYSA-N 0 0 323.374 0.832 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000332910845 396903618 /nfs/dbraw/zinc/90/36/18/396903618.db2.gz RELATQJCBJXBFF-SDDRHHMPSA-N 0 0 304.412 0.630 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1 ZINC000333438710 396925105 /nfs/dbraw/zinc/92/51/05/396925105.db2.gz JFXASKRHHUJYRI-FDYHWXHSSA-N 0 0 301.408 0.837 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630045723 396929076 /nfs/dbraw/zinc/92/90/76/396929076.db2.gz RKFUFPHFNODOOT-KBPBESRZSA-N 0 0 314.426 0.222 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000625598215 396942333 /nfs/dbraw/zinc/94/23/33/396942333.db2.gz QQUOAFGYKJIAGD-MNOVXSKESA-N 0 0 309.746 0.907 10 0 DCAERN COc1cccc(CN2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000625626505 396958349 /nfs/dbraw/zinc/95/83/49/396958349.db2.gz ZBWYNGCTNDAMOX-ZIAGYGMSSA-N 0 0 304.350 0.448 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)Cc1nnc2ccccn21 ZINC000591642871 396959887 /nfs/dbraw/zinc/95/98/87/396959887.db2.gz VHDSJAPXSXEGCO-LBPRGKRZSA-N 0 0 301.350 0.699 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625737339 396990608 /nfs/dbraw/zinc/99/06/08/396990608.db2.gz ZTAVCLVCLPIMAN-ZUWCUPBKSA-N 0 0 311.426 0.454 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ncnc2nccnc21 ZINC000618622377 397000109 /nfs/dbraw/zinc/00/01/09/397000109.db2.gz KEJVZONAEVYOPV-IUCAKERBSA-N 0 0 318.337 0.288 10 0 DCAERN CO[C@](C)(C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)C1CC1 ZINC000618676002 397009294 /nfs/dbraw/zinc/00/92/94/397009294.db2.gz KDYHDYKVAQTKGF-MFKMUULPSA-N 0 0 304.412 0.294 10 0 DCAERN CCOC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCC1 ZINC000618675956 397009644 /nfs/dbraw/zinc/00/96/44/397009644.db2.gz JGXKKTUESGOGRS-GFCCVEGCSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@H](C)[C@H](OC)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676361 397010189 /nfs/dbraw/zinc/01/01/89/397010189.db2.gz ONOAAHSVBHCALU-TUAOUCFPSA-N 0 0 306.428 0.540 10 0 DCAERN CCOCC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1 ZINC000618676639 397010246 /nfs/dbraw/zinc/01/02/46/397010246.db2.gz RNGCKQSYZXRSID-LLVKDONJSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@@H]1CN(C(=O)c2conc2C2CC2)CCN1S(C)(=O)=O ZINC000618676228 397010551 /nfs/dbraw/zinc/01/05/51/397010551.db2.gz MVGJUHMKJKNJGW-SECBINFHSA-N 0 0 313.379 0.658 10 0 DCAERN C[C@@H]1OCC(=O)N(Cc2ccccc2)[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000345779274 397015684 /nfs/dbraw/zinc/01/56/84/397015684.db2.gz LKUJGECUDOTCDG-JGGQBBKZSA-N 0 0 318.373 0.396 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)nnc1C ZINC000618754403 397022410 /nfs/dbraw/zinc/02/24/10/397022410.db2.gz ACKKNLIHTHJTLV-WDEREUQCSA-N 0 0 322.365 0.280 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(C)c1CC ZINC000618754412 397022936 /nfs/dbraw/zinc/02/29/36/397022936.db2.gz RCQLQJYURVJZNQ-NXEZZACHSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)C1CCC1 ZINC000618824775 397031153 /nfs/dbraw/zinc/03/11/53/397031153.db2.gz IKGWWLLSQOWILC-MXWKQRLJSA-N 0 0 313.398 0.931 10 0 DCAERN Cc1noc([C@H]2CN(Cc3nc(N(C)C)no3)C[C@@H](C)O2)n1 ZINC000625912270 397032133 /nfs/dbraw/zinc/03/21/33/397032133.db2.gz RSAWYGJGCPMVIO-PSASIEDQSA-N 0 0 308.342 0.789 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000572582090 397074446 /nfs/dbraw/zinc/07/44/46/397074446.db2.gz XOMDJDYAFOYRDL-UONOGXRCSA-N 0 0 306.337 0.913 10 0 DCAERN COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cccc2ncnn21 ZINC000612416789 397049188 /nfs/dbraw/zinc/04/91/88/397049188.db2.gz QGBIWYZHDUQZDX-LBPRGKRZSA-N 0 0 320.349 0.768 10 0 DCAERN O=C(NC1CC1)[C@@H]1CCCN1CCn1nc2ccccn2c1=O ZINC000618982431 397051279 /nfs/dbraw/zinc/05/12/79/397051279.db2.gz LGYBVFYYZOZZST-ZDUSSCGKSA-N 0 0 315.377 0.239 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1nnc2ccccn21 ZINC000630872068 397125661 /nfs/dbraw/zinc/12/56/61/397125661.db2.gz VHDSJAPXSXEGCO-GFCCVEGCSA-N 0 0 301.350 0.699 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)CC(=O)Nc1cc(C)ccn1 ZINC000630889625 397130912 /nfs/dbraw/zinc/13/09/12/397130912.db2.gz PKJPRZZXMDIEGK-CYBMUJFWSA-N 0 0 318.377 0.798 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2ccco2)[C@@H]([C@H]2CCCO2)N1 ZINC000377856059 397155059 /nfs/dbraw/zinc/15/50/59/397155059.db2.gz MOWAWWBHOUYOEZ-CWSCBRNRSA-N 0 0 314.363 0.384 10 0 DCAERN CC(=O)c1cn(Cc2nc(CC3CC3)no2)c(=O)n(C)c1=O ZINC000631011130 397155596 /nfs/dbraw/zinc/15/55/96/397155596.db2.gz PONQZNMZZWUIGX-UHFFFAOYSA-N 0 0 304.306 0.133 10 0 DCAERN COC(=O)c1cn([C@H]2CCCN(C(=O)C3=COCCC3)C2)nn1 ZINC000364031431 397173141 /nfs/dbraw/zinc/17/31/41/397173141.db2.gz QCUNBHNIMYNGNQ-LBPRGKRZSA-N 0 0 320.349 0.923 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000364398148 397196406 /nfs/dbraw/zinc/19/64/06/397196406.db2.gz FQQSDIBIUMDHNM-GHMZBOCLSA-N 0 0 320.397 0.766 10 0 DCAERN Cc1ncccc1O[C@H]1CCN(CC(=O)N2CCN(C)CC2)C1 ZINC000364502257 397212401 /nfs/dbraw/zinc/21/24/01/397212401.db2.gz CRBBQQYVPGDPKP-HNNXBMFYSA-N 0 0 318.421 0.617 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCCCCO ZINC000626711564 397226153 /nfs/dbraw/zinc/22/61/53/397226153.db2.gz HOPXOAGNECJMCU-UHFFFAOYSA-N 0 0 315.414 0.075 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC000601819079 397250020 /nfs/dbraw/zinc/25/00/20/397250020.db2.gz UFHFONKWJCQRTQ-QJGQKNTRSA-N 0 0 315.391 0.698 10 0 DCAERN O[C@@H](CN1CCOCC1)CN1CCN(c2ccc(F)cn2)CC1 ZINC000378467970 397244785 /nfs/dbraw/zinc/24/47/85/397244785.db2.gz YFCNZBQTOMMWTO-OAHLLOKOSA-N 0 0 324.400 0.036 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)cs1 ZINC000620152747 397245630 /nfs/dbraw/zinc/24/56/30/397245630.db2.gz BLNBEZTXFASDAB-SCZZXKLOSA-N 0 0 316.404 0.504 10 0 DCAERN COC[C@](C)(O)CNc1ncc(I)cn1 ZINC000380310436 397269457 /nfs/dbraw/zinc/26/94/57/397269457.db2.gz GVZLNFIHWIYYRH-SECBINFHSA-N 0 0 323.134 0.891 10 0 DCAERN CCOC(=O)c1ncc(CN2CCN(C)S2(=O)=O)s1 ZINC000601925680 397269760 /nfs/dbraw/zinc/26/97/60/397269760.db2.gz GPUAJOGHVUPKSC-UHFFFAOYSA-N 0 0 305.381 0.312 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC000365431342 397279879 /nfs/dbraw/zinc/27/98/79/397279879.db2.gz YXERPWXEBYDIKG-INIZCTEOSA-N 0 0 320.393 0.855 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000385613945 397284166 /nfs/dbraw/zinc/28/41/66/397284166.db2.gz FTLFDAORTDVELB-QNWHQSFQSA-N 0 0 306.428 0.433 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000365961836 397335729 /nfs/dbraw/zinc/33/57/29/397335729.db2.gz MELPQRGRGDKLPG-JHJVBQTASA-N 0 0 318.439 0.684 10 0 DCAERN Cn1cccc1-c1nnc(N2CC[C@H](N3CCOCC3)C2)n1C ZINC000407971534 397342748 /nfs/dbraw/zinc/34/27/48/397342748.db2.gz BSVZQDVDZYSYGU-ZDUSSCGKSA-N 0 0 316.409 0.732 10 0 DCAERN CCNC(=O)NC(=O)CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408042450 397345262 /nfs/dbraw/zinc/34/52/62/397345262.db2.gz HGXWKZCVFKANTM-YNEHKIRRSA-N 0 0 313.398 0.084 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC(=O)N(C)C ZINC000408095204 397347567 /nfs/dbraw/zinc/34/75/67/397347567.db2.gz LZDCAVBGLIVOCC-LBPRGKRZSA-N 0 0 308.382 0.415 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408166678 397349462 /nfs/dbraw/zinc/34/94/62/397349462.db2.gz SSMDFZPYKFRVHX-DBIOUOCHSA-N 0 0 304.412 0.181 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000408171188 397349627 /nfs/dbraw/zinc/34/96/27/397349627.db2.gz YGNNROOQAOPLHU-KGLIPLIRSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249455 397351326 /nfs/dbraw/zinc/35/13/26/397351326.db2.gz VYEKXSATOYEUTD-VXGBXAGGSA-N 0 0 302.440 0.895 10 0 DCAERN COCn1nccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408420848 397356675 /nfs/dbraw/zinc/35/66/75/397356675.db2.gz AWRIIFZDPWWQJS-RYUDHWBXSA-N 0 0 315.395 0.819 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000408461659 397357610 /nfs/dbraw/zinc/35/76/10/397357610.db2.gz WGIFLLZGSXMNEJ-QJPTWQEYSA-N 0 0 304.412 0.484 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)nn1 ZINC000614105263 397383743 /nfs/dbraw/zinc/38/37/43/397383743.db2.gz KTOJRVJFCBEQGK-DGCLKSJQSA-N 0 0 309.345 0.125 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404169959 397328289 /nfs/dbraw/zinc/32/82/89/397328289.db2.gz VKJZZJAPFYFVQR-WDEREUQCSA-N 0 0 301.368 0.043 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1CC(=O)N1CCN(C)CC1 ZINC000369713001 397444699 /nfs/dbraw/zinc/44/46/99/397444699.db2.gz RXLGSHFFRIIPLZ-OAHLLOKOSA-N 0 0 305.426 0.721 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)[C@H](C)OC)C1 ZINC000467115173 397445828 /nfs/dbraw/zinc/44/58/28/397445828.db2.gz GEIZKIQQRAEZOH-SDDRHHMPSA-N 0 0 306.428 0.588 10 0 DCAERN CCOC(=O)c1ncc(CN2CCS(=O)(=O)C[C@@H]2C)s1 ZINC000602776803 397482641 /nfs/dbraw/zinc/48/26/41/397482641.db2.gz DSJXXFLGKYZQCW-VIFPVBQESA-N 0 0 318.420 0.939 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCc2ccccc2)C1 ZINC000578778056 397483641 /nfs/dbraw/zinc/48/36/41/397483641.db2.gz GFDGAIHQKZHGET-HZPDHXFCSA-N 0 0 304.390 0.965 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ncccc1C ZINC000488326472 397490723 /nfs/dbraw/zinc/49/07/23/397490723.db2.gz FVZPFCHGDSTARW-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCc2ccccc2[C@@H]1C(N)=O ZINC000594020749 397493798 /nfs/dbraw/zinc/49/37/98/397493798.db2.gz ARVLFPHMLCCKDE-MRXNPFEDSA-N 0 0 301.390 0.940 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)n1cccn1 ZINC000488161872 397486908 /nfs/dbraw/zinc/48/69/08/397486908.db2.gz MTROJJCBJKVSEF-GARJFASQSA-N 0 0 310.354 0.017 10 0 DCAERN NS(=O)(=O)c1cccnc1N1CCC(c2ncc[nH]2)CC1 ZINC000603028544 397555674 /nfs/dbraw/zinc/55/56/74/397555674.db2.gz HXAWBEGCPGLWEY-UHFFFAOYSA-N 0 0 307.379 0.836 10 0 DCAERN Cc1ncn(CC(=O)NC[C@@H]2Cc3ccccc3O2)c(=O)c1C ZINC000579542788 397578420 /nfs/dbraw/zinc/57/84/20/397578420.db2.gz XAOXTEUPTYBIOK-AWEZNQCLSA-N 0 0 313.357 0.980 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](O)C[C@@]2(C)CO)s1 ZINC000602898644 397517631 /nfs/dbraw/zinc/51/76/31/397517631.db2.gz LRUXLOYIXPNGKK-ZANVPECISA-N 0 0 300.380 0.637 10 0 DCAERN COc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1CO ZINC000494801617 397533342 /nfs/dbraw/zinc/53/33/42/397533342.db2.gz SCTSIJWCMVPPRM-UHFFFAOYSA-N 0 0 316.379 0.454 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)ccc1C ZINC000579971151 397601686 /nfs/dbraw/zinc/60/16/86/397601686.db2.gz VNIZASKBQJRFFX-WDNDVIMCSA-N 0 0 302.330 0.897 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000608173047 397719286 /nfs/dbraw/zinc/71/92/86/397719286.db2.gz RMAUYXSFKIPSEU-LBPRGKRZSA-N 0 0 316.365 0.549 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CNC(=O)CC2CCCC2)CC1=O ZINC000608219153 397721186 /nfs/dbraw/zinc/72/11/86/397721186.db2.gz DIFQXGRAGWZOHN-KWCYVHTRSA-N 0 0 321.421 0.808 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605847199 397672730 /nfs/dbraw/zinc/67/27/30/397672730.db2.gz IZDPRLMKTOFDGJ-DZGCQCFKSA-N 0 0 322.453 0.886 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)c1cncc(-n2cccn2)n1 ZINC000607148235 397697397 /nfs/dbraw/zinc/69/73/97/397697397.db2.gz QYVGUUIBYOKWFF-LLVKDONJSA-N 0 0 307.379 0.533 10 0 DCAERN Cc1ccc(-n2nnnc2N(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000607147790 397697400 /nfs/dbraw/zinc/69/74/00/397697400.db2.gz AEHMKPJSBIFLBH-GFCCVEGCSA-N 0 0 321.406 0.842 10 0 DCAERN C[C@@H](C(=O)NCCCN1CCCS1(=O)=O)c1ccco1 ZINC000607639450 397703492 /nfs/dbraw/zinc/70/34/92/397703492.db2.gz JOTLYBBIWXASNT-LLVKDONJSA-N 0 0 300.380 0.925 10 0 DCAERN O=C(NCCc1ccccc1O)NCc1nnnn1C1CC1 ZINC000608725680 397749633 /nfs/dbraw/zinc/74/96/33/397749633.db2.gz FNBDINQNUCTBSQ-UHFFFAOYSA-N 0 0 302.338 0.756 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1 ZINC000610497468 397827129 /nfs/dbraw/zinc/82/71/29/397827129.db2.gz FVDWAXFQVHOOHX-UHFFFAOYSA-N 0 0 302.330 0.920 10 0 DCAERN COC1(c2ccccc2)CN(C(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000376243666 292150035 /nfs/dbraw/zinc/15/00/35/292150035.db2.gz PRRDRYXGNUJGFS-LSDHHAIUSA-N 0 0 318.373 0.352 10 0 DCAERN CN(C)S(=O)(=O)CCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000375623973 289244646 /nfs/dbraw/zinc/24/46/46/289244646.db2.gz MNMOOFDGBQQBMI-ZDUSSCGKSA-N 0 0 306.428 0.148 10 0 DCAERN COCCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000408322766 292271736 /nfs/dbraw/zinc/27/17/36/292271736.db2.gz WBBMPFZGUQBJDF-BTTYYORXSA-N 0 0 312.410 0.897 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046496391 158001518 /nfs/dbraw/zinc/00/15/18/158001518.db2.gz FYCLGOUBFBPESA-RYUDHWBXSA-N 0 0 301.350 0.837 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000046617113 158001649 /nfs/dbraw/zinc/00/16/49/158001649.db2.gz KEIFINWWOGZLJA-CQSZACIVSA-N 0 0 319.409 0.860 10 0 DCAERN C[C@H](NC(=O)CNC(N)=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000046699610 158002209 /nfs/dbraw/zinc/00/22/09/158002209.db2.gz FPFBZXOTMDOJCZ-VIFPVBQESA-N 0 0 304.350 0.881 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000048671719 158007324 /nfs/dbraw/zinc/00/73/24/158007324.db2.gz DDCFNJNENSLGGW-XVKPBYJWSA-N 0 0 301.368 0.566 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1CCC[C@H]1CCCO ZINC000052757819 158016786 /nfs/dbraw/zinc/01/67/86/158016786.db2.gz FVQGOKAYVSZBLY-JTQLQIEISA-N 0 0 311.411 0.864 10 0 DCAERN CNC(=O)CNC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000053120668 158018369 /nfs/dbraw/zinc/01/83/69/158018369.db2.gz IYBIXLOIWFPPCA-VIFPVBQESA-N 0 0 311.288 0.180 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)NC(=O)NC1CCCCC1 ZINC000053815886 158019912 /nfs/dbraw/zinc/01/99/12/158019912.db2.gz QJHDJZLRPSHTMX-CYBMUJFWSA-N 0 0 324.425 0.698 10 0 DCAERN Cc1nnc([C@@H](NC(=O)c2ccc(=O)n(C)n2)c2ccccc2)[nH]1 ZINC000057890229 158025370 /nfs/dbraw/zinc/02/53/70/158025370.db2.gz ZHFWHYYJPBOMDG-AWEZNQCLSA-N 0 0 324.344 0.726 10 0 DCAERN COC(=O)[C@H](C)CN(C)C(=O)Cn1nc2n(c1=O)CCCCC2 ZINC000068083345 158040549 /nfs/dbraw/zinc/04/05/49/158040549.db2.gz RHPQIZLHGUTTEK-LLVKDONJSA-N 0 0 324.381 0.039 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000068383280 158043797 /nfs/dbraw/zinc/04/37/97/158043797.db2.gz AYDQKDLTRFINBW-JTQLQIEISA-N 0 0 324.406 0.989 10 0 DCAERN NC(=O)NCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000069211108 158045086 /nfs/dbraw/zinc/04/50/86/158045086.db2.gz PHJZEWDAMHNSRC-UHFFFAOYSA-N 0 0 323.740 0.717 10 0 DCAERN Nc1ccccc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000069140832 158045603 /nfs/dbraw/zinc/04/56/03/158045603.db2.gz XMUHOOPSUMTPDD-VIFPVBQESA-N 0 0 304.393 0.124 10 0 DCAERN CO[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000074973257 158060546 /nfs/dbraw/zinc/06/05/46/158060546.db2.gz KHLUKTJIEWFLRY-TUAOUCFPSA-N 0 0 308.444 0.991 10 0 DCAERN O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2CSCN2)CC1 ZINC000075034859 158061151 /nfs/dbraw/zinc/06/11/51/158061151.db2.gz OLJARRRNRNMNNK-NSHDSACASA-N 0 0 309.391 0.617 10 0 DCAERN C[C@H](CNC(=O)Cn1c2ccccc2[nH]c1=O)N1CCOCC1 ZINC000076942855 158066701 /nfs/dbraw/zinc/06/67/01/158066701.db2.gz MATKJRXZLSSXMJ-GFCCVEGCSA-N 0 0 318.377 0.167 10 0 DCAERN CSC[C@@H](CCO)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000077513079 158067968 /nfs/dbraw/zinc/06/79/68/158067968.db2.gz RJLGULLOMJDCSA-SECBINFHSA-N 0 0 307.375 0.767 10 0 DCAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365979 158068057 /nfs/dbraw/zinc/06/80/57/158068057.db2.gz YOTZNDKRHNYWHO-STQMWFEESA-N 0 0 309.410 0.176 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000077847019 158071314 /nfs/dbraw/zinc/07/13/14/158071314.db2.gz UUVXICITLUIQJK-RYUDHWBXSA-N 0 0 307.394 0.905 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)CC(C)C ZINC000081582348 158085613 /nfs/dbraw/zinc/08/56/13/158085613.db2.gz KLTLBVFFFJKFFW-NSHDSACASA-N 0 0 314.411 0.608 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000083700426 158087234 /nfs/dbraw/zinc/08/72/34/158087234.db2.gz QVLZPOLZBDVAAX-DGCLKSJQSA-N 0 0 322.413 0.441 10 0 DCAERN CC(C)[C@H](NC(=O)CC1(O)CCCC1)C(=O)N1CCOCC1 ZINC000084367720 158088865 /nfs/dbraw/zinc/08/88/65/158088865.db2.gz CXYPGCRYJXEPMT-AWEZNQCLSA-N 0 0 312.410 0.681 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000084880217 158089196 /nfs/dbraw/zinc/08/91/96/158089196.db2.gz ZJLPTNCMSAYQKG-SKDRFNHKSA-N 0 0 301.412 0.651 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2csc(=O)[nH]2)cc1 ZINC000089508378 158096998 /nfs/dbraw/zinc/09/69/98/158096998.db2.gz WXWAFHYAIMOWGC-UHFFFAOYSA-N 0 0 321.358 0.491 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)N2CCOC[C@H]2C(N)=O)n1 ZINC000091783190 158109856 /nfs/dbraw/zinc/10/98/56/158109856.db2.gz JPPKHFWOFNEUBL-VIFPVBQESA-N 0 0 310.354 0.012 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nc(CCc2ccccc2)no1 ZINC000092228553 158112061 /nfs/dbraw/zinc/11/20/61/158112061.db2.gz GUDIRHAQODVBOW-ZDUSSCGKSA-N 0 0 316.361 0.541 10 0 DCAERN Cc1c(C(=O)NCC2(C(N)=O)CCOCC2)cnn1C(C)C ZINC000092279760 158112637 /nfs/dbraw/zinc/11/26/37/158112637.db2.gz CLHGJBYNLDUYBA-UHFFFAOYSA-N 0 0 308.382 0.784 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(COC)o2)C1 ZINC000092771380 158114959 /nfs/dbraw/zinc/11/49/59/158114959.db2.gz OESONQHWJQWWCE-LLVKDONJSA-N 0 0 316.379 0.580 10 0 DCAERN CCOCCN(C)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000093047331 158117123 /nfs/dbraw/zinc/11/71/23/158117123.db2.gz RICZPOQBIMGOSP-UHFFFAOYSA-N 0 0 305.334 0.185 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)CO)C(C)C ZINC000097204642 158125488 /nfs/dbraw/zinc/12/54/88/158125488.db2.gz RVTFKOSHTGLSAG-BXUZGUMPSA-N 0 0 308.378 0.947 10 0 DCAERN Cn1cc(CN2CCCN(CC(=O)N3CCCCC3)CC2)cn1 ZINC000105869238 158130181 /nfs/dbraw/zinc/13/01/81/158130181.db2.gz OCVPIXUVOJEBGG-UHFFFAOYSA-N 0 0 319.453 0.940 10 0 DCAERN C[C@@H](NC(=O)CN1CCC(Cn2cccn2)CC1)C(=O)N(C)C ZINC000105887178 158132194 /nfs/dbraw/zinc/13/21/94/158132194.db2.gz HBIKKTYCIKIJOR-CYBMUJFWSA-N 0 0 321.425 0.188 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc(N)nc(N)n1 ZINC000105895155 158132664 /nfs/dbraw/zinc/13/26/64/158132664.db2.gz KELPXOWAFWLDIR-JTQLQIEISA-N 0 0 302.386 0.723 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)[C@H]2CCOC2)CC1 ZINC000106850021 158134380 /nfs/dbraw/zinc/13/43/80/158134380.db2.gz FMTFBPRCXALRAM-LBPRGKRZSA-N 0 0 304.412 0.295 10 0 DCAERN CC1CCC(NS(=O)(=O)CC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000109285421 158136308 /nfs/dbraw/zinc/13/63/08/158136308.db2.gz QRJOKLXNCNKDHL-BPCQOVAHSA-N 0 0 318.439 0.732 10 0 DCAERN COC(=O)c1ccc(CCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000109264612 158136327 /nfs/dbraw/zinc/13/63/27/158136327.db2.gz MHVCOCAJZIKUQP-OAHLLOKOSA-N 0 0 320.389 0.853 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648330 158141988 /nfs/dbraw/zinc/14/19/88/158141988.db2.gz VFDHFXPLLAICDM-VHSXEESVSA-N 0 0 309.395 0.021 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)CC2CC2)CC1 ZINC000112751900 158144195 /nfs/dbraw/zinc/14/41/95/158144195.db2.gz SJXMHDSYYRUYTP-LLVKDONJSA-N 0 0 303.428 0.852 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650241 158144272 /nfs/dbraw/zinc/14/42/72/158144272.db2.gz RFGNPAQPKYUMPF-NEPJUHHUSA-N 0 0 305.382 0.356 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650580 158149183 /nfs/dbraw/zinc/14/91/83/158149183.db2.gz WZPZONVOHUNERP-MWLCHTKSSA-N 0 0 312.391 0.800 10 0 DCAERN CCCNC(=O)CCCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114858584 158157823 /nfs/dbraw/zinc/15/78/23/158157823.db2.gz OPORTNWSFGSTFY-CQSZACIVSA-N 0 0 311.426 0.662 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114871159 158158975 /nfs/dbraw/zinc/15/89/75/158158975.db2.gz KKQCSFNWKYWWGT-NWDGAFQWSA-N 0 0 310.398 0.713 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)NCc2cccnc2N(C)C)C1 ZINC000114927120 158160385 /nfs/dbraw/zinc/16/03/85/158160385.db2.gz KPCGDBTVKQGPSG-ZDUSSCGKSA-N 0 0 319.409 0.815 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCC[C@@H]2c2ccco2)nn1 ZINC000116042858 158162891 /nfs/dbraw/zinc/16/28/91/158162891.db2.gz XHDCWARSRYSYJP-GFCCVEGCSA-N 0 0 317.349 0.937 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116453506 158166162 /nfs/dbraw/zinc/16/61/62/158166162.db2.gz KVDIUDBVXNBUJT-ZDUSSCGKSA-N 0 0 321.377 0.976 10 0 DCAERN CCCCCNC(=O)[C@@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891543 158168747 /nfs/dbraw/zinc/16/87/47/158168747.db2.gz MOEHHGAYBMZVMI-NEPJUHHUSA-N 0 0 305.444 0.305 10 0 DCAERN COCCN1CCN(C(=O)NCCC(=O)NC(C)C)C[C@@H]1C ZINC000117475120 158171407 /nfs/dbraw/zinc/17/14/07/158171407.db2.gz LIRXKDXMYIBHEC-ZDUSSCGKSA-N 0 0 314.430 0.263 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCCCC2)C[C@H]1C ZINC000117369527 158171911 /nfs/dbraw/zinc/17/19/11/158171911.db2.gz JYNLEZYOGIONFL-CQSZACIVSA-N 0 0 319.471 0.760 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c(F)c1 ZINC000118115852 158176208 /nfs/dbraw/zinc/17/62/08/158176208.db2.gz SVXPTLUOGLPKHK-LLVKDONJSA-N 0 0 309.341 0.519 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000118765254 158179773 /nfs/dbraw/zinc/17/97/73/158179773.db2.gz NQXJTUOTPIHTIZ-UHFFFAOYSA-N 0 0 301.306 0.832 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000120021563 158192268 /nfs/dbraw/zinc/19/22/68/158192268.db2.gz ZEYCPMCEQNDSHJ-QWHCGFSZSA-N 0 0 312.410 0.755 10 0 DCAERN CC(C)(O)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)O ZINC000120858791 158203942 /nfs/dbraw/zinc/20/39/42/158203942.db2.gz WBGVQQDCWCAGPM-PHIMTYICSA-N 0 0 300.399 0.177 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000120933140 158205395 /nfs/dbraw/zinc/20/53/95/158205395.db2.gz OGBIMAXDTAZMOU-TZMCWYRMSA-N 0 0 324.402 0.975 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCNC(=O)CC(C)C)CC2 ZINC000120987574 158206936 /nfs/dbraw/zinc/20/69/36/158206936.db2.gz AEFPBPLTCOSSNH-GFCCVEGCSA-N 0 0 321.425 0.824 10 0 DCAERN CCN1C[C@H](C(=O)N2CCOC[C@@H]2c2nc(C)no2)CC1=O ZINC000121106180 158208120 /nfs/dbraw/zinc/20/81/20/158208120.db2.gz QIYCPBHXJLYRDK-GHMZBOCLSA-N 0 0 308.338 0.146 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCOC[C@@H]2CCOC2)C1 ZINC000121866484 158216491 /nfs/dbraw/zinc/21/64/91/158216491.db2.gz VFUONOUDNUYZAD-KBPBESRZSA-N 0 0 320.455 0.996 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000122326789 158219284 /nfs/dbraw/zinc/21/92/84/158219284.db2.gz KGRQTZMUGKKVMN-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1cccc(-c2ncco2)c1 ZINC000122348036 158220875 /nfs/dbraw/zinc/22/08/75/158220875.db2.gz MMGOKTGHWWFJQA-JTQLQIEISA-N 0 0 300.274 0.878 10 0 DCAERN CCOC(=O)CN(C(=O)Cn1c2ccccc2[nH]c1=O)C1CC1 ZINC000122524454 158222176 /nfs/dbraw/zinc/22/21/76/158222176.db2.gz JJCIFPIPOUGLSD-UHFFFAOYSA-N 0 0 317.345 0.884 10 0 DCAERN NC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cn1 ZINC000122763930 158223960 /nfs/dbraw/zinc/22/39/60/158223960.db2.gz FXGZFRDESYYSQU-UHFFFAOYSA-N 0 0 323.316 0.473 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)Nc1cnc(N(C)C)nc1 ZINC000124846255 158247876 /nfs/dbraw/zinc/24/78/76/158247876.db2.gz ATDURHOSYBBYSA-UHFFFAOYSA-N 0 0 314.411 0.942 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)C2)n1 ZINC000124941837 158249641 /nfs/dbraw/zinc/24/96/41/158249641.db2.gz BVZNQEQYZNKGDP-KGLIPLIRSA-N 0 0 319.409 0.660 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@H]1CN(C)CCO1 ZINC000125218014 158251689 /nfs/dbraw/zinc/25/16/89/158251689.db2.gz DYRVWNWTWRZJSR-QWHCGFSZSA-N 0 0 314.430 0.311 10 0 DCAERN COC(=O)c1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)o1 ZINC000126068605 158262302 /nfs/dbraw/zinc/26/23/02/158262302.db2.gz WQJMKSHOROGIGD-LLVKDONJSA-N 0 0 308.334 0.659 10 0 DCAERN COCCS(=O)(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000127945989 158276877 /nfs/dbraw/zinc/27/68/77/158276877.db2.gz YPBOMRUFOOLVBH-SNVBAGLBSA-N 0 0 319.814 0.880 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N1CCC[C@H](n2cncn2)C1 ZINC000128078352 158278682 /nfs/dbraw/zinc/27/86/82/158278682.db2.gz VBAAXSGSYQEYNT-KBPBESRZSA-N 0 0 323.397 0.820 10 0 DCAERN C[C@@H](NC(=O)CSCC(N)=O)c1cn(-c2ccccc2)nn1 ZINC000129064771 158284577 /nfs/dbraw/zinc/28/45/77/158284577.db2.gz KZCIEZJFZRFVDB-SNVBAGLBSA-N 0 0 319.390 0.663 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C(N)=O)cn2C)C1 ZINC000130482850 158295911 /nfs/dbraw/zinc/29/59/11/158295911.db2.gz NMVSZAZRBFQRRH-NSHDSACASA-N 0 0 320.393 0.502 10 0 DCAERN Cc1cccc(C)c1OC[C@@H](O)Cn1nc(C(N)=O)ccc1=O ZINC000131282600 158301914 /nfs/dbraw/zinc/30/19/14/158301914.db2.gz OVPPKVMGWCJKMQ-LBPRGKRZSA-N 0 0 317.345 0.399 10 0 DCAERN CC[C@H](NC(=O)CN1CCCS1(=O)=O)c1nccs1 ZINC000131535102 158303536 /nfs/dbraw/zinc/30/35/36/158303536.db2.gz UMHMSZRRPKUFIU-VIFPVBQESA-N 0 0 303.409 0.746 10 0 DCAERN C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)[C@H](C)CO ZINC000133546417 158321001 /nfs/dbraw/zinc/32/10/01/158321001.db2.gz PUZOTUCCNJGPAU-RKDXNWHRSA-N 0 0 317.183 0.744 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)CC1=O ZINC000134044076 158324187 /nfs/dbraw/zinc/32/41/87/158324187.db2.gz AHLJBRBGNALYNR-RYUDHWBXSA-N 0 0 319.409 0.701 10 0 DCAERN CNC(=O)CC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000134170900 158324651 /nfs/dbraw/zinc/32/46/51/158324651.db2.gz VRBAQCGTSXAALZ-UHFFFAOYSA-N 0 0 306.362 0.988 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135367845 158336114 /nfs/dbraw/zinc/33/61/14/158336114.db2.gz USGXVJNTTTVFPY-MWLCHTKSSA-N 0 0 323.422 0.713 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135367806 158336460 /nfs/dbraw/zinc/33/64/60/158336460.db2.gz USGXVJNTTTVFPY-KOLCDFICSA-N 0 0 323.422 0.713 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)CC2 ZINC000135671578 158338704 /nfs/dbraw/zinc/33/87/04/158338704.db2.gz REFLBPQRECBJEU-GMTAPVOTSA-N 0 0 314.411 0.252 10 0 DCAERN CCCOC(=O)[C@H](C)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135686146 158339907 /nfs/dbraw/zinc/33/99/07/158339907.db2.gz NNHUCZVTIFHBOL-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN CN1CC[C@@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1=O ZINC000135745888 158339949 /nfs/dbraw/zinc/33/99/49/158339949.db2.gz GFFKGGQMDWQQLR-OCCSQVGLSA-N 0 0 303.362 0.930 10 0 DCAERN Cc1nnc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1C ZINC000135706821 158340147 /nfs/dbraw/zinc/34/01/47/158340147.db2.gz PBDYDONDRJPMJT-GFCCVEGCSA-N 0 0 313.427 0.123 10 0 DCAERN CC(C)c1cc(C(=O)NCCOCC(N)=O)nn1C(C)(C)C ZINC000136017688 158340988 /nfs/dbraw/zinc/34/09/88/158340988.db2.gz OLJQDYNNPHGBFV-UHFFFAOYSA-N 0 0 310.398 0.993 10 0 DCAERN CN1CC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc21 ZINC000137719304 158346532 /nfs/dbraw/zinc/34/65/32/158346532.db2.gz AXBTWZRPPYJAMQ-JQWIXIFHSA-N 0 0 316.361 0.324 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156833679 158351548 /nfs/dbraw/zinc/35/15/48/158351548.db2.gz LIKRGABTQLBQHH-VIFPVBQESA-N 0 0 303.302 0.337 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000167780630 158369243 /nfs/dbraw/zinc/36/92/43/158369243.db2.gz QKTUSWDAWHZMDH-ZDUSSCGKSA-N 0 0 318.395 0.784 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3n[nH]nc3C2)cc1 ZINC000170240227 158373796 /nfs/dbraw/zinc/37/37/96/158373796.db2.gz VULLZMLEQVZJQP-QMMMGPOBSA-N 0 0 321.362 0.196 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000171486889 158383285 /nfs/dbraw/zinc/38/32/85/158383285.db2.gz NWPBDNJJHALFDM-DGCLKSJQSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@H](n3cncn3)C2)C[C@H](C)O1 ZINC000171617234 158384258 /nfs/dbraw/zinc/38/42/58/158384258.db2.gz KAAJYOOLKZCGGB-MJBXVCDLSA-N 0 0 307.398 0.551 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCN2CCC[C@H]2C1 ZINC000171584981 158384639 /nfs/dbraw/zinc/38/46/39/158384639.db2.gz KYGZRFVSKFJCLC-NWDGAFQWSA-N 0 0 318.464 0.213 10 0 DCAERN O=C(CCCS(=O)(=O)N1CCCC1)N[C@@H]1CCCOC1 ZINC000171680279 158385336 /nfs/dbraw/zinc/38/53/36/158385336.db2.gz PHEHGKOZDJGQKU-GFCCVEGCSA-N 0 0 304.412 0.487 10 0 DCAERN Cc1ncsc1CN(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000171750306 158386738 /nfs/dbraw/zinc/38/67/38/158386738.db2.gz HIYNIGLPVYYYPX-LLVKDONJSA-N 0 0 310.423 0.607 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000171701500 158386769 /nfs/dbraw/zinc/38/67/69/158386769.db2.gz INKAWNIZKFNGMI-ZYHUDNBSSA-N 0 0 316.361 0.642 10 0 DCAERN COCCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000171896270 158387735 /nfs/dbraw/zinc/38/77/35/158387735.db2.gz GUDVOCZRTKVOLP-LLVKDONJSA-N 0 0 311.386 0.803 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000172005526 158389281 /nfs/dbraw/zinc/38/92/81/158389281.db2.gz WWXICONNIWOIJA-OCCSQVGLSA-N 0 0 317.389 0.932 10 0 DCAERN COCCN(CCOC)S(=O)(=O)N[C@H](C)C1CCCC1 ZINC000172166271 158390953 /nfs/dbraw/zinc/39/09/53/158390953.db2.gz XUDMTKMDHNDECM-GFCCVEGCSA-N 0 0 308.444 0.994 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CCO1 ZINC000172129914 158391137 /nfs/dbraw/zinc/39/11/37/158391137.db2.gz BABCJYSRBLRFOT-AXAPSJFSSA-N 0 0 318.373 0.915 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H]1CCCOC1)CC2 ZINC000172313242 158393001 /nfs/dbraw/zinc/39/30/01/158393001.db2.gz ZALXQAKGPQDRMP-NEPJUHHUSA-N 0 0 307.398 0.881 10 0 DCAERN CCNS(=O)(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000172457811 158395065 /nfs/dbraw/zinc/39/50/65/158395065.db2.gz LIXYQLVEMIGXKI-UHFFFAOYSA-N 0 0 317.436 0.750 10 0 DCAERN C[C@H](CO)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172545123 158395992 /nfs/dbraw/zinc/39/59/92/158395992.db2.gz LFTGGXHISYODKW-VIFPVBQESA-N 0 0 304.306 0.420 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](C2OCCO2)C1 ZINC000172602906 158396315 /nfs/dbraw/zinc/39/63/15/158396315.db2.gz DTCCKZMPWPBUFU-VXGBXAGGSA-N 0 0 321.381 0.387 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2F)C1 ZINC000172651467 158397317 /nfs/dbraw/zinc/39/73/17/158397317.db2.gz ABNDWWRYVHCZPX-UWVGGRQHSA-N 0 0 307.325 0.925 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)c1nccnc1C(N)=O ZINC000172788927 158399564 /nfs/dbraw/zinc/39/95/64/158399564.db2.gz HKLKEMTZLKELBR-NSHDSACASA-N 0 0 306.366 0.997 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CC[C@H](N2CCOCC2)C1 ZINC000172765771 158399617 /nfs/dbraw/zinc/39/96/17/158399617.db2.gz UKEFABDUSCMRSJ-ZDUSSCGKSA-N 0 0 321.377 0.333 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)n(C)c1 ZINC000172766790 158399844 /nfs/dbraw/zinc/39/98/44/158399844.db2.gz URHFNTNRZBCIQX-CQSZACIVSA-N 0 0 305.378 0.774 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)[nH]1 ZINC000173666688 158408325 /nfs/dbraw/zinc/40/83/25/158408325.db2.gz CXAMFORDLUIOKS-CYBMUJFWSA-N 0 0 307.398 0.745 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000174639458 158419393 /nfs/dbraw/zinc/41/93/93/158419393.db2.gz APGUKEYFAMEZIO-UHFFFAOYSA-N 0 0 323.397 0.417 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000175312234 158425912 /nfs/dbraw/zinc/42/59/12/158425912.db2.gz WFVLCYCESPTUJW-CYBMUJFWSA-N 0 0 309.366 0.905 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC(OCCCOC)C2)c1 ZINC000176510795 158438649 /nfs/dbraw/zinc/43/86/49/158438649.db2.gz WVKVZNAWYLWWGK-UHFFFAOYSA-N 0 0 306.362 0.924 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCC(n2cncn2)CC1 ZINC000176691734 158440110 /nfs/dbraw/zinc/44/01/10/158440110.db2.gz COPPUSKBUDEPTO-SNVBAGLBSA-N 0 0 300.384 0.122 10 0 DCAERN Cc1c([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cnn1C ZINC000178116137 158453496 /nfs/dbraw/zinc/45/34/96/158453496.db2.gz LFUCGDIUMNBTOV-ONGXEEELSA-N 0 0 316.365 0.682 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NC1(CO)CCCC1)CC2 ZINC000178193947 158455612 /nfs/dbraw/zinc/45/56/12/158455612.db2.gz XCYOBLHTDVFSDN-NSHDSACASA-N 0 0 307.398 0.760 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000179167428 158469696 /nfs/dbraw/zinc/46/96/96/158469696.db2.gz BREHEVYMAPORON-MLGOLLRUSA-N 0 0 320.393 0.821 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000184583001 158509506 /nfs/dbraw/zinc/50/95/06/158509506.db2.gz NSNYUNFDBZNMJF-UHFFFAOYSA-N 0 0 317.389 0.344 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)[C@@H](CO)CC(C)C ZINC000185431658 158520312 /nfs/dbraw/zinc/52/03/12/158520312.db2.gz BNGJVBFHMZADEM-VXGBXAGGSA-N 0 0 308.444 0.858 10 0 DCAERN CNC(=O)CC(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000185718351 158523065 /nfs/dbraw/zinc/52/30/65/158523065.db2.gz OFZHHAIGNRKTHB-UHFFFAOYSA-N 0 0 312.391 0.244 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000187633881 158539117 /nfs/dbraw/zinc/53/91/17/158539117.db2.gz IXXMMCWVXGGJPS-LRDDRELGSA-N 0 0 312.410 0.945 10 0 DCAERN COCCn1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)n1 ZINC000187508465 158539470 /nfs/dbraw/zinc/53/94/70/158539470.db2.gz GNFRGYXEOVNQBA-AWEZNQCLSA-N 0 0 314.345 0.586 10 0 DCAERN COCCS(=O)(=O)N1CCC(Nc2nccs2)CC1 ZINC000188085454 158542601 /nfs/dbraw/zinc/54/26/01/158542601.db2.gz ZIFKLVBUBQWWHJ-UHFFFAOYSA-N 0 0 305.425 0.996 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000188921529 158548395 /nfs/dbraw/zinc/54/83/95/158548395.db2.gz VEQYFJDOMARBBX-LBPRGKRZSA-N 0 0 313.357 0.739 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000189710454 158554572 /nfs/dbraw/zinc/55/45/72/158554572.db2.gz UGGLTWQCHWIUGR-UHFFFAOYSA-N 0 0 306.366 0.710 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000190683122 158562858 /nfs/dbraw/zinc/56/28/58/158562858.db2.gz ULAGDBGUGWMVQB-SNVBAGLBSA-N 0 0 321.381 0.314 10 0 DCAERN COCCN1CCCN(C(=O)CCOCC(F)F)CC1=O ZINC000190874232 158563969 /nfs/dbraw/zinc/56/39/69/158563969.db2.gz BXDJGYCEMQFFMY-UHFFFAOYSA-N 0 0 308.325 0.366 10 0 DCAERN COCCN1CCCN(C(=O)Cc2c(C)noc2C)CC1=O ZINC000191233824 158566273 /nfs/dbraw/zinc/56/62/73/158566273.db2.gz CWLZSHMUHYVVNB-UHFFFAOYSA-N 0 0 309.366 0.541 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000191275794 158567065 /nfs/dbraw/zinc/56/70/65/158567065.db2.gz NBABMCYCHZOLOM-VXGBXAGGSA-N 0 0 301.346 0.674 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)[nH]1 ZINC000191550833 158568966 /nfs/dbraw/zinc/56/89/66/158568966.db2.gz OUCCFZVULBUKID-NSHDSACASA-N 0 0 305.382 0.551 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)N2CC(CO)C2)ccc1F ZINC000192212489 158574672 /nfs/dbraw/zinc/57/46/72/158574672.db2.gz NUWSVMQNJBTRQY-UHFFFAOYSA-N 0 0 306.301 0.566 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 ZINC000192460571 158575047 /nfs/dbraw/zinc/57/50/47/158575047.db2.gz DQXSEIZSDHHMHO-NSHDSACASA-N 0 0 324.402 0.586 10 0 DCAERN CN1CC[C@@H](NS(=O)(=O)c2cccc3c2OC(C)(C)C3)C1=O ZINC000192633172 158576618 /nfs/dbraw/zinc/57/66/18/158576618.db2.gz JQBLRPOGXSIQOZ-LLVKDONJSA-N 0 0 324.402 0.909 10 0 DCAERN Cn1cnnc1C1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC000193042839 158579283 /nfs/dbraw/zinc/57/92/83/158579283.db2.gz NRKMYGDVBLTUFU-UHFFFAOYSA-N 0 0 305.382 0.534 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000193001022 158579379 /nfs/dbraw/zinc/57/93/79/158579379.db2.gz RHWYFHJQTBSVMJ-SECBINFHSA-N 0 0 324.406 0.942 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000245673530 158652041 /nfs/dbraw/zinc/65/20/41/158652041.db2.gz FKGFTKOUGKUYAL-JBLDHEPKSA-N 0 0 312.391 0.605 10 0 DCAERN C[C@H](c1nnnn1C1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000249281586 158704606 /nfs/dbraw/zinc/70/46/06/158704606.db2.gz KWNAKSFLUNKUCF-NQBHXWOUSA-N 0 0 322.413 0.814 10 0 DCAERN Cc1ccc2ncc(C(=O)N[C@@H]3CCCn4ncnc43)c(=O)n2c1 ZINC000177564960 292396813 /nfs/dbraw/zinc/39/68/13/292396813.db2.gz JWRNQIAIYUXGTD-GFCCVEGCSA-N 0 0 324.344 0.859 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262894961 158846831 /nfs/dbraw/zinc/84/68/31/158846831.db2.gz CYNUEZUJFZOAED-LLVKDONJSA-N 0 0 319.352 0.127 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000267010848 158893407 /nfs/dbraw/zinc/89/34/07/158893407.db2.gz HWKXDHIZEMDDCR-NSHDSACASA-N 0 0 318.420 0.307 10 0 DCAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC[C@](O)(C(N)=O)C2)c1 ZINC000276454974 158934851 /nfs/dbraw/zinc/93/48/51/158934851.db2.gz HHJQSYNHLLIRIK-MEDUHNTESA-N 0 0 320.345 0.105 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@](C)(O)C(C)C ZINC000312518176 158996010 /nfs/dbraw/zinc/99/60/10/158996010.db2.gz OCGKALRZGNBJDM-WZRBSPASSA-N 0 0 307.412 0.655 10 0 DCAERN C[C@H](NCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ncn(C)n1 ZINC000328620483 159015350 /nfs/dbraw/zinc/01/53/50/159015350.db2.gz WWXYEVUHOQFIRM-YNEHKIRRSA-N 0 0 307.398 0.636 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cn1 ZINC000328680910 159020505 /nfs/dbraw/zinc/02/05/05/159020505.db2.gz UWOHELIVQZYVFD-DGCLKSJQSA-N 0 0 315.381 0.523 10 0 DCAERN CS(=O)(=O)CC1(CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000328702947 159022369 /nfs/dbraw/zinc/02/23/69/159022369.db2.gz XNQNVIATXACBOZ-GFCCVEGCSA-N 0 0 301.408 0.491 10 0 DCAERN C[C@@H](CC(=O)N1CCn2cnnc2[C@@H]1C)N1CCCCC1=O ZINC000328744527 159025865 /nfs/dbraw/zinc/02/58/65/159025865.db2.gz OAWYWIBUIHUBRY-RYUDHWBXSA-N 0 0 305.382 0.972 10 0 DCAERN CCn1nc(C(=O)N2CCO[C@H](CO)C2)c(=O)c2ccccc21 ZINC000328851356 159034970 /nfs/dbraw/zinc/03/49/70/159034970.db2.gz ZPHAGOQGHHXYAT-NSHDSACASA-N 0 0 317.345 0.250 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnc4nccnc4c3)C[C@H]21 ZINC000328852417 159035072 /nfs/dbraw/zinc/03/50/72/159035072.db2.gz BUBOTCPXLYGKLB-ZIAGYGMSSA-N 0 0 313.361 0.570 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000328908548 159040030 /nfs/dbraw/zinc/04/00/30/159040030.db2.gz DAWJTBZOEXRCTP-KGLIPLIRSA-N 0 0 302.378 0.944 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCCc4n[nH]cc43)nc2n1 ZINC000329031359 159053867 /nfs/dbraw/zinc/05/38/67/159053867.db2.gz XGIHJQLBGLHJLG-UHFFFAOYSA-N 0 0 311.349 0.986 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000329163294 159069543 /nfs/dbraw/zinc/06/95/43/159069543.db2.gz GFEIYQOLLUNSII-UYJHQMFVSA-N 0 0 324.421 0.510 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329171013 159069906 /nfs/dbraw/zinc/06/99/06/159069906.db2.gz JWCNHBOWBYCNHV-RYUDHWBXSA-N 0 0 323.422 0.581 10 0 DCAERN Cc1nc(CN2CCN(Cc3nnc(C)n3C3CC3)CC2)no1 ZINC000329180988 159070875 /nfs/dbraw/zinc/07/08/75/159070875.db2.gz OMOLMRQYIQUUDN-UHFFFAOYSA-N 0 0 317.397 0.931 10 0 DCAERN CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@@H]1CCOC1 ZINC000329267887 159077380 /nfs/dbraw/zinc/07/73/80/159077380.db2.gz GOBNQNQCNCKQRM-LLVKDONJSA-N 0 0 301.346 0.723 10 0 DCAERN C[C@@H]1C(=O)N([C@@H]2CCCN(c3nccn(C)c3=O)C2)C(=O)N1C ZINC000329273333 159078505 /nfs/dbraw/zinc/07/85/05/159078505.db2.gz IEFJXZUBNMRMLS-GHMZBOCLSA-N 0 0 319.365 0.032 10 0 DCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000329416104 159090477 /nfs/dbraw/zinc/09/04/77/159090477.db2.gz GDRZMQPKCJXJOZ-RWMBFGLXSA-N 0 0 319.423 0.606 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCS1(=O)=O ZINC000329434592 159092641 /nfs/dbraw/zinc/09/26/41/159092641.db2.gz LLJNWSFBATVLSE-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN Cc1noc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000329455292 159094343 /nfs/dbraw/zinc/09/43/43/159094343.db2.gz MNYPXVVIEIECFE-UHFFFAOYSA-N 0 0 321.425 0.754 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000329453591 159094945 /nfs/dbraw/zinc/09/49/45/159094945.db2.gz NQIYQDKLWXXKQD-MNOVXSKESA-N 0 0 311.407 0.672 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@H]1OC ZINC000329526317 159100027 /nfs/dbraw/zinc/10/00/27/159100027.db2.gz SXOLPEWBPHMBTG-RRFJBIMHSA-N 0 0 312.410 0.360 10 0 DCAERN CC1CCN(C(=O)c2nc([C@H]3CN4CCN3CC4)no2)CC1 ZINC000329576775 159104067 /nfs/dbraw/zinc/10/40/67/159104067.db2.gz KCVBFKSVLJCXMG-GFCCVEGCSA-N 0 0 305.382 0.614 10 0 DCAERN O=C(c1cn(C2CCOCC2)nn1)N1CCO[C@@H](C2CC2)C1 ZINC000329580144 159104483 /nfs/dbraw/zinc/10/44/83/159104483.db2.gz PPEPZHQIYPGJLZ-CQSZACIVSA-N 0 0 306.366 0.881 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H]3CCCCN3C[C@H]2C)cn1C ZINC000329629243 159108211 /nfs/dbraw/zinc/10/82/11/159108211.db2.gz HLHBSKVHYNESJL-DGCLKSJQSA-N 0 0 312.439 0.976 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCOC4)CCO2)c1 ZINC000329665382 159109830 /nfs/dbraw/zinc/10/98/30/159109830.db2.gz PVUKBUUTUPPLDP-DZKIICNBSA-N 0 0 305.378 0.846 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329727623 159115365 /nfs/dbraw/zinc/11/53/65/159115365.db2.gz FGSGBJPLSSGRPN-SUHUHFCYSA-N 0 0 314.345 0.021 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCNC(=O)[C@@H]2C(C)C)n1C ZINC000329734387 159116497 /nfs/dbraw/zinc/11/64/97/159116497.db2.gz KGSCZLOVVCQQDM-AWEZNQCLSA-N 0 0 322.413 0.379 10 0 DCAERN O=C(C1CC1)[C@H]1CN(S(=O)(=O)NC2CCCC2)CCO1 ZINC000329818165 159121611 /nfs/dbraw/zinc/12/16/11/159121611.db2.gz GEBJZVYJYQPKJG-GFCCVEGCSA-N 0 0 302.396 0.443 10 0 DCAERN CN(C)c1ncc(CN(C)S(=O)(=O)NC2CCCC2)cn1 ZINC000329820957 159121852 /nfs/dbraw/zinc/12/18/52/159121852.db2.gz GZGLLONBHOAYGE-UHFFFAOYSA-N 0 0 313.427 0.751 10 0 DCAERN Cc1cc(CC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)no1 ZINC000329961085 159131869 /nfs/dbraw/zinc/13/18/69/159131869.db2.gz RJMYVUFRKUMXOO-AWEZNQCLSA-N 0 0 319.365 0.661 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000330008010 159135473 /nfs/dbraw/zinc/13/54/73/159135473.db2.gz FAYHNSWZQQKXQP-JTQLQIEISA-N 0 0 312.395 0.071 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)C3(O)CCOCC3)CCO2)cn1 ZINC000330043247 159136958 /nfs/dbraw/zinc/13/69/58/159136958.db2.gz CJYKTQSBTUTTBY-CQSZACIVSA-N 0 0 309.366 0.036 10 0 DCAERN Cn1cc(-n2cc(C(=O)N3CC(O)(C4CC4)C3)ccc2=O)cn1 ZINC000330079785 159140284 /nfs/dbraw/zinc/14/02/84/159140284.db2.gz ITYAKMIVBAYRGT-UHFFFAOYSA-N 0 0 314.345 0.168 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408447164 304422857 /nfs/dbraw/zinc/42/28/57/304422857.db2.gz BSOFFGFAAKLYAW-BXKDBHETSA-N 0 0 308.300 0.961 10 0 DCAERN CC1(C)CN(S(=O)(=O)[C@@H]2CCCOC2)C[C@]2(CCOC2)O1 ZINC000330158327 159146173 /nfs/dbraw/zinc/14/61/73/159146173.db2.gz PYCUTDACASRULA-OCCSQVGLSA-N 0 0 319.423 0.765 10 0 DCAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cn2ccccc2=O)C1 ZINC000330219576 159151900 /nfs/dbraw/zinc/15/19/00/159151900.db2.gz PPEHVZDLZWVMRW-RYUDHWBXSA-N 0 0 318.333 0.528 10 0 DCAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC000330228194 159152371 /nfs/dbraw/zinc/15/23/71/159152371.db2.gz VHFPAPSALLZYAR-RYUDHWBXSA-N 0 0 308.338 0.145 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1c1ncnc2c1ncn2C1CC1 ZINC000330294193 159157504 /nfs/dbraw/zinc/15/75/04/159157504.db2.gz IJTOUGGFZRODPJ-SNVBAGLBSA-N 0 0 322.394 0.419 10 0 DCAERN CC(C)N1CC[C@H](N2C(=O)N[C@@H](c3ccn(C)n3)C2=O)C1=O ZINC000330300367 159157702 /nfs/dbraw/zinc/15/77/02/159157702.db2.gz NCXRKILBFRYYSV-QWRGUYRKSA-N 0 0 305.338 0.227 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CC[C@H](O)C12CCCC2 ZINC000330360041 159163076 /nfs/dbraw/zinc/16/30/76/159163076.db2.gz WRMOINNSGIWELG-NSHDSACASA-N 0 0 311.407 0.897 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCOCC(F)(F)F ZINC000330412274 159170014 /nfs/dbraw/zinc/17/00/14/159170014.db2.gz BDHCPBSVQDJLJQ-QMMMGPOBSA-N 0 0 300.302 0.603 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000330479857 159179794 /nfs/dbraw/zinc/17/97/94/159179794.db2.gz QELBVPIJIRBVFT-ZDUSSCGKSA-N 0 0 307.325 0.179 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@H]1N1CCOCC1 ZINC000332780106 159213312 /nfs/dbraw/zinc/21/33/12/159213312.db2.gz UIFCDRHVUHBTPV-GBJTYRQASA-N 0 0 311.426 0.916 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCC[C@H]2CCO[C@H](C)C2)C1 ZINC000332794820 159213500 /nfs/dbraw/zinc/21/35/00/159213500.db2.gz PJBVBGKEDVAHJV-ZOBORPQBSA-N 0 0 300.399 0.983 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)O1 ZINC000332816120 159214267 /nfs/dbraw/zinc/21/42/67/159214267.db2.gz DWWDBPQSBHSMGX-IGQOVBAYSA-N 0 0 310.394 0.696 10 0 DCAERN CO[C@@]1(CNC(=O)NCC(=O)NC2CCCCC2)CCOC1 ZINC000359291258 159262942 /nfs/dbraw/zinc/26/29/42/159262942.db2.gz DISFCNBJMIIVPO-OAHLLOKOSA-N 0 0 313.398 0.540 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c(C)n1C1CC1 ZINC000367011407 159304418 /nfs/dbraw/zinc/30/44/18/159304418.db2.gz WQOUYBRLOZNRLD-MRXNPFEDSA-N 0 0 305.378 0.892 10 0 DCAERN C[C@@H](CO)N(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000367236392 159323881 /nfs/dbraw/zinc/32/38/81/159323881.db2.gz GUNJQVBGONWTFW-VTWZXRTESA-N 0 0 311.382 0.326 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000367763778 159355224 /nfs/dbraw/zinc/35/52/24/159355224.db2.gz QEUIVLZAMHQKKM-NEPJUHHUSA-N 0 0 315.395 0.644 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 ZINC000368143459 159377966 /nfs/dbraw/zinc/37/79/66/159377966.db2.gz DDIRXSHRSGGGGV-QWHCGFSZSA-N 0 0 317.455 0.547 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000368415101 159392953 /nfs/dbraw/zinc/39/29/53/159392953.db2.gz YHVQOXWWEYAKRS-KBPBESRZSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C)C1)c1nnc2n1CCCCC2 ZINC000370174196 159501614 /nfs/dbraw/zinc/50/16/14/159501614.db2.gz HIRMFDSJUAKHNL-GHMZBOCLSA-N 0 0 320.397 0.595 10 0 DCAERN COC[C@H](CCO)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372004213 159598015 /nfs/dbraw/zinc/59/80/15/159598015.db2.gz NXJFSGGGHVNHDC-LBPRGKRZSA-N 0 0 322.361 0.464 10 0 DCAERN COc1cncc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)n1 ZINC000374950364 159762249 /nfs/dbraw/zinc/76/22/49/159762249.db2.gz STODQJPTJJNXAX-UHFFFAOYSA-N 0 0 303.293 0.968 10 0 DCAERN COC(=O)c1cn([C@H]2CCN(C(=O)C3=COCCC3)C2)nn1 ZINC000375193089 159776588 /nfs/dbraw/zinc/77/65/88/159776588.db2.gz NANARHVVPQSHTJ-NSHDSACASA-N 0 0 306.322 0.532 10 0 DCAERN Cn1cc(S(=O)(=O)NCCN2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000375721991 159813037 /nfs/dbraw/zinc/81/30/37/159813037.db2.gz HUBYQNWBAYRJRO-CYBMUJFWSA-N 0 0 324.410 0.259 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC[C@@H](CO)C1 ZINC000378236100 159971850 /nfs/dbraw/zinc/97/18/50/159971850.db2.gz RVSXCTKFLJVRMG-GFCCVEGCSA-N 0 0 301.412 0.820 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCCSCC2)C1 ZINC000407976615 160000756 /nfs/dbraw/zinc/00/07/56/160000756.db2.gz LZTWBDUBGHLKBK-LLVKDONJSA-N 0 0 321.468 0.416 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000407978812 160001661 /nfs/dbraw/zinc/00/16/61/160001661.db2.gz HQCBDBRUJRHSQP-YPMHNXCESA-N 0 0 309.410 0.522 10 0 DCAERN CC(C)(C(=O)N1CCO[C@@H](C(=O)C2CC2)C1)S(C)(=O)=O ZINC000407979830 160001779 /nfs/dbraw/zinc/00/17/79/160001779.db2.gz GEZXFIWXYFHOMJ-SNVBAGLBSA-N 0 0 303.380 0.016 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)N1CCOCC1 ZINC000407988901 160004564 /nfs/dbraw/zinc/00/45/64/160004564.db2.gz IIEATCONRYCWHG-HZSPNIEDSA-N 0 0 311.426 0.613 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000407995733 160006407 /nfs/dbraw/zinc/00/64/07/160006407.db2.gz JJQTVJLIPJRQJP-QWRGUYRKSA-N 0 0 315.395 0.633 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000407994359 160006580 /nfs/dbraw/zinc/00/65/80/160006580.db2.gz CFYIZFRDCBNOJF-QJPTWQEYSA-N 0 0 300.424 0.917 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000408000236 160007135 /nfs/dbraw/zinc/00/71/35/160007135.db2.gz YRLUGTGZQODIIM-JHJVBQTASA-N 0 0 307.350 0.398 10 0 DCAERN C[C@H](C(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000407997452 160007192 /nfs/dbraw/zinc/00/71/92/160007192.db2.gz WCZPCXWAKDDRNI-LBPRGKRZSA-N 0 0 311.426 0.457 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cn[nH]c2)CC1 ZINC000408002564 160008013 /nfs/dbraw/zinc/00/80/13/160008013.db2.gz DUBZPGILSQQXAO-SNVBAGLBSA-N 0 0 315.399 0.148 10 0 DCAERN CN(C(=O)N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000408015280 160010993 /nfs/dbraw/zinc/01/09/93/160010993.db2.gz AXSLDJQDWJPTQT-IJLUTSLNSA-N 0 0 304.412 0.366 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408016021 160011933 /nfs/dbraw/zinc/01/19/33/160011933.db2.gz HBWPRVORZXMAFT-QWHCGFSZSA-N 0 0 306.428 0.146 10 0 DCAERN CC[C@H]1CN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@H]1O ZINC000408018411 160013252 /nfs/dbraw/zinc/01/32/52/160013252.db2.gz RJIPJDGIHLTTPD-GXFFZTMASA-N 0 0 301.346 0.776 10 0 DCAERN Cc1noc([C@H]2CN(S(=O)(=O)c3ccco3)CCN2C)n1 ZINC000408026157 160014458 /nfs/dbraw/zinc/01/44/58/160014458.db2.gz CQQSCKSRSNSDPK-SNVBAGLBSA-N 0 0 312.351 0.648 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000408027835 160015752 /nfs/dbraw/zinc/01/57/52/160015752.db2.gz MVEVMYUTIFUNSB-NEPJUHHUSA-N 0 0 315.395 0.385 10 0 DCAERN COC[C@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)O1 ZINC000408029425 160016091 /nfs/dbraw/zinc/01/60/91/160016091.db2.gz BUFJZTLULHAISY-HZSPNIEDSA-N 0 0 314.426 0.748 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408032280 160016961 /nfs/dbraw/zinc/01/69/61/160016961.db2.gz UPYZHAXHZATLRK-LBPRGKRZSA-N 0 0 317.345 0.710 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000408037522 160018716 /nfs/dbraw/zinc/01/87/16/160018716.db2.gz ANMHKUFTBPAWSN-TZMCWYRMSA-N 0 0 306.366 0.235 10 0 DCAERN C[C@H](CN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)CS(C)(=O)=O ZINC000408043390 160020621 /nfs/dbraw/zinc/02/06/21/160020621.db2.gz KFUKPKYLLLZUCR-LXTVHRRPSA-N 0 0 319.467 0.919 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000408046083 160021348 /nfs/dbraw/zinc/02/13/48/160021348.db2.gz AQCUTIRDQYVZRW-ZETCQYMHSA-N 0 0 317.271 0.100 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cncs1 ZINC000408049341 160022765 /nfs/dbraw/zinc/02/27/65/160022765.db2.gz YEHWQAMWWIEJRB-DTWKUNHWSA-N 0 0 303.409 0.733 10 0 DCAERN CS(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408047109 160023068 /nfs/dbraw/zinc/02/30/68/160023068.db2.gz ZDBGXHAFNAJFCQ-MCIONIFRSA-N 0 0 305.440 0.673 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H]1C(N)=O ZINC000408048061 160023077 /nfs/dbraw/zinc/02/30/77/160023077.db2.gz UXWPXCWJQMDVRJ-NYTXWWLZSA-N 0 0 323.437 0.742 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000408051476 160023336 /nfs/dbraw/zinc/02/33/36/160023336.db2.gz PGDUXQIIEPJDAZ-MRXNPFEDSA-N 0 0 312.410 0.561 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2noc3c2CCCCC3)C1 ZINC000408056071 160024969 /nfs/dbraw/zinc/02/49/69/160024969.db2.gz CKHWAGNMAYMLJK-HNNXBMFYSA-N 0 0 307.350 0.396 10 0 DCAERN CS(=O)(=O)C1(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CCCC1 ZINC000408059337 160026006 /nfs/dbraw/zinc/02/60/06/160026006.db2.gz CBRRTSIGUYIABQ-WDEREUQCSA-N 0 0 316.423 0.504 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CCCNC1=O ZINC000408068196 160027610 /nfs/dbraw/zinc/02/76/10/160027610.db2.gz RUEPZGBGGODHNR-LKFCYVNXSA-N 0 0 308.338 0.398 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408083229 160031945 /nfs/dbraw/zinc/03/19/45/160031945.db2.gz IOWPBJYAVDHURH-MXAVVETBSA-N 0 0 311.426 0.469 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408080328 160032041 /nfs/dbraw/zinc/03/20/41/160032041.db2.gz RIWWTYDAOCVCTD-WDEREUQCSA-N 0 0 315.395 0.882 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@@H]1C ZINC000408113710 160038905 /nfs/dbraw/zinc/03/89/05/160038905.db2.gz UOCYIOMXLNKVSE-VHSXEESVSA-N 0 0 310.427 0.651 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000408118468 160040076 /nfs/dbraw/zinc/04/00/76/160040076.db2.gz SAAJPQRQGLJXPD-LLVKDONJSA-N 0 0 321.377 0.030 10 0 DCAERN CN(C)C(=O)CC(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 ZINC000408121673 160040867 /nfs/dbraw/zinc/04/08/67/160040867.db2.gz PODSIJLHEKDKHG-UHFFFAOYSA-N 0 0 312.414 0.553 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(C)n(C)n3)CC2)n1 ZINC000408126694 160043123 /nfs/dbraw/zinc/04/31/23/160043123.db2.gz AOJVRIQYFNDGFT-LLVKDONJSA-N 0 0 318.381 0.939 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408133373 160044294 /nfs/dbraw/zinc/04/42/94/160044294.db2.gz NTWGQLYSPRZVQF-OLZOCXBDSA-N 0 0 317.455 0.810 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408132208 160044319 /nfs/dbraw/zinc/04/43/19/160044319.db2.gz IVMICRSKDLZUBB-NWDGAFQWSA-N 0 0 303.428 0.564 10 0 DCAERN CCc1nnc(CN2CCN(C(=O)N(C)C)CC2(C)C)n1C ZINC000408135772 160045269 /nfs/dbraw/zinc/04/52/69/160045269.db2.gz ZPCWNCYLRRCCDQ-UHFFFAOYSA-N 0 0 308.430 0.955 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CCN1C[C@@H](C)O ZINC000408140218 160045790 /nfs/dbraw/zinc/04/57/90/160045790.db2.gz QRITXDBOPBHBQA-BFHYXJOUSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@H]1CO ZINC000408139771 160046109 /nfs/dbraw/zinc/04/61/09/160046109.db2.gz PMDBECMNIWLKBW-JSGCOSHPSA-N 0 0 311.426 0.999 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)[C@@H](C)CO1 ZINC000408142882 160046859 /nfs/dbraw/zinc/04/68/59/160046859.db2.gz RYEJCPYGFRHOGQ-RYUDHWBXSA-N 0 0 324.406 0.778 10 0 DCAERN CC(C)(C)n1nnnc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000408146544 160047730 /nfs/dbraw/zinc/04/77/30/160047730.db2.gz QIWKVVDTIYWLIH-VIFPVBQESA-N 0 0 319.456 0.802 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N[C@@H]2CCCNC2=O)CCCC1 ZINC000408153442 160049140 /nfs/dbraw/zinc/04/91/40/160049140.db2.gz CEFRKOOBMQFWJY-LLVKDONJSA-N 0 0 310.398 0.213 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000408153154 160049294 /nfs/dbraw/zinc/04/92/94/160049294.db2.gz IURXCBIMTYBNOJ-CYBMUJFWSA-N 0 0 317.455 0.954 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408164055 160050391 /nfs/dbraw/zinc/05/03/91/160050391.db2.gz GFGCQZNIAZNGNK-JHJVBQTASA-N 0 0 309.410 0.808 10 0 DCAERN C[C@H](C(=O)N1CCC(=O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000408161203 160050526 /nfs/dbraw/zinc/05/05/26/160050526.db2.gz YGQKMNLPJZNKDW-WDEREUQCSA-N 0 0 317.407 0.406 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000408166420 160050932 /nfs/dbraw/zinc/05/09/32/160050932.db2.gz YJZDCHBPQBYGFQ-MRVPVSSYSA-N 0 0 311.279 0.167 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)N1CCOCC1 ZINC000408169297 160051885 /nfs/dbraw/zinc/05/18/85/160051885.db2.gz MTAGIEYESOYMGO-MCIONIFRSA-N 0 0 311.426 0.470 10 0 DCAERN Cc1cc([C@H]2CCCN2C(=O)CS(=O)(=O)N(C)C)on1 ZINC000408184646 160055021 /nfs/dbraw/zinc/05/50/21/160055021.db2.gz CRKTYTVZVQXYRG-SNVBAGLBSA-N 0 0 301.368 0.538 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CCO2)[nH]1 ZINC000408201842 160059123 /nfs/dbraw/zinc/05/91/23/160059123.db2.gz GOZROCACPZHGIV-AXFHLTTASA-N 0 0 321.381 0.182 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)N1CCN(C)CC1 ZINC000408201977 160059247 /nfs/dbraw/zinc/05/92/47/160059247.db2.gz HCTGMESNFYHERY-GJZGRUSLSA-N 0 0 320.441 0.153 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](Cn2cncn2)C1)N1CCN(C)CC1 ZINC000408201979 160059416 /nfs/dbraw/zinc/05/94/16/160059416.db2.gz HCTGMESNFYHERY-HUUCEWRRSA-N 0 0 320.441 0.153 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)CC(=O)N1 ZINC000408203166 160059464 /nfs/dbraw/zinc/05/94/64/160059464.db2.gz PIJVREAOZYJOSI-NWDGAFQWSA-N 0 0 324.425 0.506 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000408208374 160060892 /nfs/dbraw/zinc/06/08/92/160060892.db2.gz WBKUONLALUJNGN-LBPRGKRZSA-N 0 0 311.382 0.592 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CC(C)(C)O1 ZINC000408219550 160062312 /nfs/dbraw/zinc/06/23/12/160062312.db2.gz OHPWATOVUTVQOT-SNVBAGLBSA-N 0 0 313.441 0.250 10 0 DCAERN CSCCC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000408218626 160062454 /nfs/dbraw/zinc/06/24/54/160062454.db2.gz JBZSFQUGWUUQFG-UHFFFAOYSA-N 0 0 320.480 0.461 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408224913 160064168 /nfs/dbraw/zinc/06/41/68/160064168.db2.gz XXFSDOGQPDNWQR-QWHCGFSZSA-N 0 0 302.440 0.754 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000408226220 160064200 /nfs/dbraw/zinc/06/42/00/160064200.db2.gz NTYUMGRHZAZRTH-UONOGXRCSA-N 0 0 320.389 0.777 10 0 DCAERN Cc1cnc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(O)c1 ZINC000408229688 160064712 /nfs/dbraw/zinc/06/47/12/160064712.db2.gz VSIWSXQCRWCOML-CYBMUJFWSA-N 0 0 319.361 0.559 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cn1 ZINC000408234529 160065715 /nfs/dbraw/zinc/06/57/15/160065715.db2.gz DIEGCQFHMDAEAE-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN CSCCCN(C)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408235229 160066432 /nfs/dbraw/zinc/06/64/32/160066432.db2.gz JHVPSPLDECWCRZ-UHFFFAOYSA-N 0 0 315.482 0.578 10 0 DCAERN CN(C)c1cc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)ccn1 ZINC000408244403 160068343 /nfs/dbraw/zinc/06/83/43/160068343.db2.gz CYFAFHPSTRRWJM-INIZCTEOSA-N 0 0 302.378 0.890 10 0 DCAERN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C1CCC(=O)CC1 ZINC000408248781 160068965 /nfs/dbraw/zinc/06/89/65/160068965.db2.gz KAMTXBMYBMTOTB-YPMHNXCESA-N 0 0 316.423 0.580 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000408248547 160069438 /nfs/dbraw/zinc/06/94/38/160069438.db2.gz FVTWDJQKIBTJEI-RYUDHWBXSA-N 0 0 309.366 0.346 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000408253766 160069842 /nfs/dbraw/zinc/06/98/42/160069842.db2.gz AULADICZALBCTR-GFCCVEGCSA-N 0 0 322.434 0.636 10 0 DCAERN O=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](CCO)C1 ZINC000408251075 160069977 /nfs/dbraw/zinc/06/99/77/160069977.db2.gz VTHIMCWLGMYQTP-LBPRGKRZSA-N 0 0 307.398 0.918 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000408257589 160070850 /nfs/dbraw/zinc/07/08/50/160070850.db2.gz QTTUWAJWGKSLED-RNJOBUHISA-N 0 0 314.382 0.773 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000408258443 160070852 /nfs/dbraw/zinc/07/08/52/160070852.db2.gz XAQRJQGTMRMAQB-MCIONIFRSA-N 0 0 324.425 0.160 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@H](C)[C@@H](O)C2)c(=O)c1 ZINC000408264313 160072293 /nfs/dbraw/zinc/07/22/93/160072293.db2.gz JFXNSPDPCRXQRD-XEZPLFJOSA-N 0 0 308.378 0.137 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)N(C(C)=O)C1 ZINC000408275407 160074307 /nfs/dbraw/zinc/07/43/07/160074307.db2.gz YZHOWYRODCYPRZ-VPWBDBDCSA-N 0 0 312.410 0.942 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000408275287 160074650 /nfs/dbraw/zinc/07/46/50/160074650.db2.gz XENOJRUEQRARMJ-OFQRWUPVSA-N 0 0 307.394 0.477 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000408281655 160075617 /nfs/dbraw/zinc/07/56/17/160075617.db2.gz QBNXMJVJPLVYEW-KBPBESRZSA-N 0 0 311.426 0.160 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000408288151 160076625 /nfs/dbraw/zinc/07/66/25/160076625.db2.gz VXIBWJIITOFFFK-NSHDSACASA-N 0 0 305.382 0.639 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N[C@H]2CCN(C(C)=O)C2)c1C ZINC000408285134 160076980 /nfs/dbraw/zinc/07/69/80/160076980.db2.gz FIZSOPSKBSHBMP-LBPRGKRZSA-N 0 0 314.411 0.419 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000408292234 160077316 /nfs/dbraw/zinc/07/73/16/160077316.db2.gz ROIQGXJCQVMDDN-LLVKDONJSA-N 0 0 318.377 0.442 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3C[C@@H](O)C[C@@H]3C)CC2)n1 ZINC000408295553 160078241 /nfs/dbraw/zinc/07/82/41/160078241.db2.gz VGNIUXBJTXIJNC-AAEUAGOBSA-N 0 0 320.393 0.683 10 0 DCAERN C[C@H]1OCC[C@]12CN(C(=O)CNC(=O)c1ccco1)CCO2 ZINC000408298830 160079241 /nfs/dbraw/zinc/07/92/41/160079241.db2.gz RANOBEIIPHUCMX-ABAIWWIYSA-N 0 0 308.334 0.416 10 0 DCAERN CCn1cnc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000408301366 160080040 /nfs/dbraw/zinc/08/00/40/160080040.db2.gz RUWWKGIUSHQZJL-RYUDHWBXSA-N 0 0 300.428 0.864 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@](C)(O)C(C)C)C1 ZINC000408303740 160080470 /nfs/dbraw/zinc/08/04/70/160080470.db2.gz SEALMQTZLDQBEF-WCQYABFASA-N 0 0 306.428 0.322 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CCSC3)CCO2)n1 ZINC000408307644 160081592 /nfs/dbraw/zinc/08/15/92/160081592.db2.gz UBULMZMLOSDXQC-CHWSQXEVSA-N 0 0 310.423 0.875 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408306299 160081814 /nfs/dbraw/zinc/08/18/14/160081814.db2.gz PPRRFCXDGUOURE-SECBINFHSA-N 0 0 303.302 0.337 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408309213 160082601 /nfs/dbraw/zinc/08/26/01/160082601.db2.gz MPXAJZOJJFUIOP-ZFWWWQNUSA-N 0 0 309.410 0.367 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)CCc2ccnn2C)C(C)(C)C1 ZINC000408315929 160083312 /nfs/dbraw/zinc/08/33/12/160083312.db2.gz MJCHIKIXQXOOAY-UHFFFAOYSA-N 0 0 321.425 0.957 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H]1C(C)(C)O ZINC000408337748 160087509 /nfs/dbraw/zinc/08/75/09/160087509.db2.gz WMXJNJXGVKCZNA-UTUOFQBUSA-N 0 0 319.423 0.893 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC(O)C2)CCCC1 ZINC000408347170 160088906 /nfs/dbraw/zinc/08/89/06/160088906.db2.gz QODSLFFPGCNUCB-UHFFFAOYSA-N 0 0 320.393 0.283 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000408349486 160089803 /nfs/dbraw/zinc/08/98/03/160089803.db2.gz QGQIIHXFFINCMQ-IUCAKERBSA-N 0 0 318.420 0.953 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408349053 160089808 /nfs/dbraw/zinc/08/98/08/160089808.db2.gz GNVBTDMQPWPSNE-MLGOLLRUSA-N 0 0 315.377 0.820 10 0 DCAERN CCCNS(=O)(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000408362128 160092474 /nfs/dbraw/zinc/09/24/74/160092474.db2.gz LUAOJYMYLAQDGY-RYUDHWBXSA-N 0 0 306.428 0.795 10 0 DCAERN CCc1nnc([C@@H]2CN(S(=O)(=O)N(CC)CC)CCO2)o1 ZINC000408383552 160096912 /nfs/dbraw/zinc/09/69/12/160096912.db2.gz ACVDRHCPNVWEAG-JTQLQIEISA-N 0 0 318.399 0.592 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408387390 160097498 /nfs/dbraw/zinc/09/74/98/160097498.db2.gz VZOJRVFITMOTQP-VHSXEESVSA-N 0 0 304.372 0.072 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000408386185 160097592 /nfs/dbraw/zinc/09/75/92/160097592.db2.gz OEGUHKQNQDHVDB-JTQLQIEISA-N 0 0 318.399 0.763 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000408394202 160099029 /nfs/dbraw/zinc/09/90/29/160099029.db2.gz OHTUMVGBIFLZSU-LBPRGKRZSA-N 0 0 303.428 0.898 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCCSCC1 ZINC000408394748 160099676 /nfs/dbraw/zinc/09/96/76/160099676.db2.gz NZCNAVDNNTXJRP-SNVBAGLBSA-N 0 0 308.469 0.916 10 0 DCAERN CC(C)(C)c1nnc(CN2CC[C@@H](NS(C)(=O)=O)C2)[nH]1 ZINC000408398457 160100476 /nfs/dbraw/zinc/10/04/76/160100476.db2.gz WTGRHGPJGXKTJD-SECBINFHSA-N 0 0 301.416 0.226 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000408400329 160101163 /nfs/dbraw/zinc/10/11/63/160101163.db2.gz QVYYLGLTAUJGKW-SECBINFHSA-N 0 0 300.384 0.053 10 0 DCAERN CSC1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000408406832 160102029 /nfs/dbraw/zinc/10/20/29/160102029.db2.gz OVTKDGVPAAFSNK-VIFPVBQESA-N 0 0 307.441 0.215 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](OCCO)C1 ZINC000408406672 160102075 /nfs/dbraw/zinc/10/20/75/160102075.db2.gz RRZIJXDHFNYDPC-STQMWFEESA-N 0 0 323.397 0.604 10 0 DCAERN CNC(=O)c1ccc(N2CCCN(C(=O)C3CC3)CC2)nn1 ZINC000408405125 160102227 /nfs/dbraw/zinc/10/22/27/160102227.db2.gz LCJKFCJEECZRNK-UHFFFAOYSA-N 0 0 303.366 0.285 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)CO1 ZINC000408419080 160104300 /nfs/dbraw/zinc/10/43/00/160104300.db2.gz GQAGAAUSHLSIQM-WOPDTQHZSA-N 0 0 306.366 0.280 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)CCN1C[C@@H](C)O ZINC000408429018 160106012 /nfs/dbraw/zinc/10/60/12/160106012.db2.gz HVKIAUIYOQUDDI-TZMCWYRMSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000408433069 160106745 /nfs/dbraw/zinc/10/67/45/160106745.db2.gz KGRQTZMUGKKVMN-STQMWFEESA-N 0 0 305.444 0.104 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@H]1C ZINC000408433115 160106827 /nfs/dbraw/zinc/10/68/27/160106827.db2.gz KKRYYVQNUWLJKP-MJBXVCDLSA-N 0 0 319.471 0.493 10 0 DCAERN C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)CC(F)(F)F ZINC000408438153 160107640 /nfs/dbraw/zinc/10/76/40/160107640.db2.gz GCCJOXPOXVVUFE-SECBINFHSA-N 0 0 318.361 0.656 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCCO1 ZINC000408440853 160108197 /nfs/dbraw/zinc/10/81/97/160108197.db2.gz BHNGXRNWUOYUPM-YPMHNXCESA-N 0 0 304.412 0.343 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000408448812 160110019 /nfs/dbraw/zinc/11/00/19/160110019.db2.gz BBOMZDCUMYUVPN-STQMWFEESA-N 0 0 313.423 0.466 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000408459597 160112704 /nfs/dbraw/zinc/11/27/04/160112704.db2.gz JDNOMHZGQKZXCG-QWHCGFSZSA-N 0 0 307.412 0.480 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CC2CC2)CC1 ZINC000408466840 160114411 /nfs/dbraw/zinc/11/44/11/160114411.db2.gz MONRMKCFYQCZCB-SNVBAGLBSA-N 0 0 318.443 0.403 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CCO1 ZINC000408467043 160114547 /nfs/dbraw/zinc/11/45/47/160114547.db2.gz KFZYJIADHYBZJV-SRVKXCTJSA-N 0 0 311.407 0.720 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000408472762 160115568 /nfs/dbraw/zinc/11/55/68/160115568.db2.gz WVPXPXRFABEGHN-MJBXVCDLSA-N 0 0 312.410 0.776 10 0 DCAERN CC(C)n1ncnc1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408472573 160115840 /nfs/dbraw/zinc/11/58/40/160115840.db2.gz VVSSQFMSTDKRQQ-PHIMTYICSA-N 0 0 317.415 0.303 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccnc(-n2cncn2)c1 ZINC000053762537 286896280 /nfs/dbraw/zinc/89/62/80/286896280.db2.gz AYMIMNQINPKMDP-UHFFFAOYSA-N 0 0 316.365 0.649 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000068634211 286908694 /nfs/dbraw/zinc/90/86/94/286908694.db2.gz CZISEULKYVDJDB-QWRGUYRKSA-N 0 0 314.430 0.846 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000072815802 286911813 /nfs/dbraw/zinc/91/18/13/286911813.db2.gz SFZCVKKEGOPZFM-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN O=C([C@H]1CCNC(=O)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000366179501 304445012 /nfs/dbraw/zinc/44/50/12/304445012.db2.gz PUEQRGRAHYWZSA-KBPBESRZSA-N 0 0 315.373 0.602 10 0 DCAERN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000126233998 286970541 /nfs/dbraw/zinc/97/05/41/286970541.db2.gz FIXZRPHEMDBUIS-OPRDCNLKSA-N 0 0 301.387 0.916 10 0 DCAERN CCC[C@@](C)(O)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000126349108 286971305 /nfs/dbraw/zinc/97/13/05/286971305.db2.gz OSOBSHMQWYQQTF-OAHLLOKOSA-N 0 0 318.381 0.324 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)N2CCCCCC2)c(=O)[nH]c1C ZINC000128120901 286981226 /nfs/dbraw/zinc/98/12/26/286981226.db2.gz VQSZVERGTCLSLB-UHFFFAOYSA-N 0 0 320.393 0.909 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000130475618 286994333 /nfs/dbraw/zinc/99/43/33/286994333.db2.gz BWNKVSUQYHMPRL-NEPJUHHUSA-N 0 0 308.378 0.787 10 0 DCAERN Cc1noc(CCNS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000131952491 287002841 /nfs/dbraw/zinc/00/28/41/287002841.db2.gz UHQDFSYUEPZSHQ-UWVGGRQHSA-N 0 0 302.400 0.733 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccco2)C1 ZINC000132297608 287004909 /nfs/dbraw/zinc/00/49/09/287004909.db2.gz SYAHMKCUKQOBKF-GHMZBOCLSA-N 0 0 307.350 0.560 10 0 DCAERN CN(C)c1nc(COc2ccc(C(=O)NCCO)cc2)ns1 ZINC000131673032 287001718 /nfs/dbraw/zinc/00/17/18/287001718.db2.gz CHUALUOTPOKCMC-UHFFFAOYSA-N 0 0 322.390 0.905 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000135509819 287022767 /nfs/dbraw/zinc/02/27/67/287022767.db2.gz USGQPEMPSLIDLT-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000135583746 287023586 /nfs/dbraw/zinc/02/35/86/287023586.db2.gz JFDRWHBFJJFWHT-MRVPVSSYSA-N 0 0 314.748 0.842 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c(=O)[nH]c1C ZINC000152778027 287044135 /nfs/dbraw/zinc/04/41/35/287044135.db2.gz LLBRPGCIZIRJDF-VXGBXAGGSA-N 0 0 308.382 0.226 10 0 DCAERN O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000152913150 287045187 /nfs/dbraw/zinc/04/51/87/287045187.db2.gz OOQKNXMEXZYWER-ZQDZILKHSA-N 0 0 324.421 0.993 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000153041620 287046487 /nfs/dbraw/zinc/04/64/87/287046487.db2.gz AYPNFMPVSUBESZ-NSHDSACASA-N 0 0 321.381 0.357 10 0 DCAERN CN(CCc1ccc(F)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000173060236 287052613 /nfs/dbraw/zinc/05/26/13/287052613.db2.gz ABXKPYQQILDMID-UHFFFAOYSA-N 0 0 323.411 0.674 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000153520074 287050986 /nfs/dbraw/zinc/05/09/86/287050986.db2.gz AIYFWOFPQIWDMV-GHMZBOCLSA-N 0 0 321.381 0.392 10 0 DCAERN O=C([C@@H]1CSCCS1)N1CC[C@@H](N2CCOCC2)C1 ZINC000177347393 287054218 /nfs/dbraw/zinc/05/42/18/287054218.db2.gz WSEMXJZDCBIHFW-NEPJUHHUSA-N 0 0 302.465 0.768 10 0 DCAERN O=C(NCc1ccc(Cl)cn1)N1CCS(=O)(=O)CC1 ZINC000181088350 287056174 /nfs/dbraw/zinc/05/61/74/287056174.db2.gz XLBYXLXBAYNKPO-UHFFFAOYSA-N 0 0 303.771 0.675 10 0 DCAERN COc1cccc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)c1 ZINC000194769783 287062448 /nfs/dbraw/zinc/06/24/48/287062448.db2.gz IQAREYFSOHARNW-LBPRGKRZSA-N 0 0 303.362 0.480 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C ZINC000246034708 287075372 /nfs/dbraw/zinc/07/53/72/287075372.db2.gz AQUXLGOIYLKZLK-OLZOCXBDSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000246204947 287079116 /nfs/dbraw/zinc/07/91/16/287079116.db2.gz QQBNSKASRNYLCL-MCIONIFRSA-N 0 0 319.471 0.350 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000246724924 287087231 /nfs/dbraw/zinc/08/72/31/287087231.db2.gz XWRCDCFTHOMEIR-RWMBFGLXSA-N 0 0 318.439 0.826 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246916391 287089013 /nfs/dbraw/zinc/08/90/13/287089013.db2.gz BDMPVQJNZXNXKQ-IJLUTSLNSA-N 0 0 303.428 0.898 10 0 DCAERN CCN(C)[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC000246594003 287085909 /nfs/dbraw/zinc/08/59/09/287085909.db2.gz TUFVUDVEBMYYMM-JSGCOSHPSA-N 0 0 303.362 0.601 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246627711 287086261 /nfs/dbraw/zinc/08/62/61/287086261.db2.gz YLEUWDJMQCBJFT-OLZOCXBDSA-N 0 0 305.444 0.226 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247361217 287092952 /nfs/dbraw/zinc/09/29/52/287092952.db2.gz MKDRIDHTFNOIKE-QNWHQSFQSA-N 0 0 302.440 0.893 10 0 DCAERN CCN(C(=O)CN1[C@H](C)COC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000246962884 287089706 /nfs/dbraw/zinc/08/97/06/287089706.db2.gz KRVPVLOUUHWFHV-UPJWGTAASA-N 0 0 318.439 0.131 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000247102896 287091026 /nfs/dbraw/zinc/09/10/26/287091026.db2.gz WJBBDBKYHBITDF-BZPMIXESSA-N 0 0 300.424 0.965 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248636349 287098574 /nfs/dbraw/zinc/09/85/74/287098574.db2.gz KKMKBWQWGSXKQB-JTQLQIEISA-N 0 0 316.345 0.962 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H]2COCCO2)C[C@@H]1CC ZINC000247586398 287094836 /nfs/dbraw/zinc/09/48/36/287094836.db2.gz ZSGYVYJFKFMRKU-UONOGXRCSA-N 0 0 300.399 0.361 10 0 DCAERN CO[C@H](C)CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H](C)OC ZINC000248936523 287103867 /nfs/dbraw/zinc/10/38/67/287103867.db2.gz NHODJEKHOUAQAT-YVECIDJPSA-N 0 0 300.399 0.705 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)nc1C ZINC000249084640 287106451 /nfs/dbraw/zinc/10/64/51/287106451.db2.gz IJEXFQBIPDMDHQ-MNOVXSKESA-N 0 0 306.410 0.929 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCO[C@H]2C)CCN1S(C)(=O)=O ZINC000249338112 287109094 /nfs/dbraw/zinc/10/90/94/287109094.db2.gz CYLLLJHCMUZGHU-SRVKXCTJSA-N 0 0 304.412 0.294 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000252692146 287120859 /nfs/dbraw/zinc/12/08/59/287120859.db2.gz RELBQPFYPLWPOL-KKZNHRDASA-N 0 0 308.284 0.990 10 0 DCAERN CCN1C[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)CC1=O ZINC000334066782 287148003 /nfs/dbraw/zinc/14/80/03/287148003.db2.gz DNHDPIQQZAREHG-NEPJUHHUSA-N 0 0 306.370 0.073 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000375116617 287227159 /nfs/dbraw/zinc/22/71/59/287227159.db2.gz WHHQQBDAQGAWNK-DOMZBBRYSA-N 0 0 313.398 0.348 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c(F)c1 ZINC000404973638 287232721 /nfs/dbraw/zinc/23/27/21/287232721.db2.gz UHYSEZHXGDAIPS-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C1 ZINC000130733385 196105180 /nfs/dbraw/zinc/10/51/80/196105180.db2.gz ZMBKDFFFRLUYRT-NSHDSACASA-N 0 0 305.444 0.810 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC(=O)N1 ZINC000408193006 287259612 /nfs/dbraw/zinc/25/96/12/287259612.db2.gz QDCVWAHAOFJTCA-UTUOFQBUSA-N 0 0 316.423 0.327 10 0 DCAERN CCOCCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000024735245 415159899 /nfs/dbraw/zinc/15/98/99/415159899.db2.gz LTKWWBAQPLIUAB-AWEZNQCLSA-N 0 0 303.366 1.000 10 0 DCAERN O=C(CNS(=O)(=O)N1CCCCCC1)NCc1ccco1 ZINC000023403433 415160025 /nfs/dbraw/zinc/16/00/25/415160025.db2.gz OBOAANLJKNJYLV-UHFFFAOYSA-N 0 0 315.395 0.606 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CCC[C@H](O)C3)CC2)n1 ZINC000026188735 415166333 /nfs/dbraw/zinc/16/63/33/415166333.db2.gz SLLJBCSRDVLFQO-ZDUSSCGKSA-N 0 0 320.393 0.685 10 0 DCAERN CCn1c2ccccc2n(C[C@H](O)CN2CCOCC2)c1=O ZINC000044907682 415231867 /nfs/dbraw/zinc/23/18/67/415231867.db2.gz VZMCHWVZYILFAQ-CYBMUJFWSA-N 0 0 305.378 0.516 10 0 DCAERN CCOCCOCC(=O)NCCNC(=O)c1ccccc1F ZINC000056986207 415336347 /nfs/dbraw/zinc/33/63/47/415336347.db2.gz LEHYTDORNIBERI-UHFFFAOYSA-N 0 0 312.341 0.725 10 0 DCAERN CC(=O)N(C)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000274213952 415338801 /nfs/dbraw/zinc/33/88/01/415338801.db2.gz PZFYVXQTOWSVFV-UHFFFAOYSA-N 0 0 301.350 0.609 10 0 DCAERN COC[C@@H](C)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070302976 415405867 /nfs/dbraw/zinc/40/58/67/415405867.db2.gz XSCIRLRNUVYWBJ-SNVBAGLBSA-N 0 0 301.364 0.715 10 0 DCAERN COc1ccc(S(=O)(=O)N(C)Cc2nnc(C)n2C)cc1 ZINC000080630271 415481172 /nfs/dbraw/zinc/48/11/72/415481172.db2.gz LRGZMDVLYFTTJD-UHFFFAOYSA-N 0 0 310.379 0.953 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000332826960 415488935 /nfs/dbraw/zinc/48/89/35/415488935.db2.gz LSWNGTMITGHGMJ-IGQOVBAYSA-N 0 0 321.381 0.571 10 0 DCAERN CC[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)OC ZINC000084278999 415497180 /nfs/dbraw/zinc/49/71/80/415497180.db2.gz ZKCDPTBDTZIXBL-MRVPVSSYSA-N 0 0 317.139 0.819 10 0 DCAERN COCCN1CN(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000332739463 415463196 /nfs/dbraw/zinc/46/31/96/415463196.db2.gz ALXRVNXFKSJEKC-CLLJXQQHSA-N 0 0 313.398 0.648 10 0 DCAERN Cc1noc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000332761077 415466792 /nfs/dbraw/zinc/46/67/92/415466792.db2.gz RPTPDIBHOHEVLC-NWDGAFQWSA-N 0 0 309.370 0.035 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@@H]21 ZINC000332759569 415466962 /nfs/dbraw/zinc/46/69/62/415466962.db2.gz PJBPSLOGQNMVSI-GJZGRUSLSA-N 0 0 323.437 0.614 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@H]21 ZINC000332757918 415467218 /nfs/dbraw/zinc/46/72/18/415467218.db2.gz RERDOIPEZYWKKR-CABCVRRESA-N 0 0 323.437 0.614 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 ZINC000276305914 415468444 /nfs/dbraw/zinc/46/84/44/415468444.db2.gz RUXPYLDBWCTALP-UHFFFAOYSA-N 0 0 301.350 0.546 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000332781055 415474073 /nfs/dbraw/zinc/47/40/73/415474073.db2.gz WNEJWDTTYMURLW-QWRGUYRKSA-N 0 0 317.411 0.622 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000332795457 415476662 /nfs/dbraw/zinc/47/66/62/415476662.db2.gz PSNTVKRNIKKEOU-RKQHYHRCSA-N 0 0 321.381 0.475 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)O ZINC000080823446 415480356 /nfs/dbraw/zinc/48/03/56/415480356.db2.gz OOPQGDFGXQDGDM-LLVKDONJSA-N 0 0 306.428 0.420 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)Cn2ccc(=O)n(C)c2=O)cc1F ZINC000088234709 415512390 /nfs/dbraw/zinc/51/23/90/415512390.db2.gz GESYWBOAGQUYSW-NSHDSACASA-N 0 0 319.336 0.872 10 0 DCAERN O=S(=O)(N1CC(O)(C2CC2)C1)N1CCc2ccccc2C1 ZINC000089666690 415522574 /nfs/dbraw/zinc/52/25/74/415522574.db2.gz DZCSUDLQIDCKMC-UHFFFAOYSA-N 0 0 308.403 0.746 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC000089753578 415523612 /nfs/dbraw/zinc/52/36/12/415523612.db2.gz ASSFXJPJHJVQNN-LURJTMIESA-N 0 0 314.754 0.387 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)O1 ZINC000333028280 415534749 /nfs/dbraw/zinc/53/47/49/415534749.db2.gz LLFXITZDUAEQPR-UPJWGTAASA-N 0 0 319.409 0.659 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000091414153 415535804 /nfs/dbraw/zinc/53/58/04/415535804.db2.gz SASGZHSFTGPHGG-UHFFFAOYSA-N 0 0 311.288 0.498 10 0 DCAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@H]1CCNC(=O)C1 ZINC000333062439 415545591 /nfs/dbraw/zinc/54/55/91/415545591.db2.gz NIGPJXQYPQIOLY-XQQFMLRXSA-N 0 0 307.394 0.420 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000333060695 415546511 /nfs/dbraw/zinc/54/65/11/415546511.db2.gz SFWXRAVPXZBTLA-YUELXQCFSA-N 0 0 311.426 0.916 10 0 DCAERN O=S(=O)(NC[C@H](CO)[C@@H]1CCOC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333161861 415576107 /nfs/dbraw/zinc/57/61/07/415576107.db2.gz MATHVIZSWZHYRL-ITGHMWBKSA-N 0 0 303.424 0.739 10 0 DCAERN COC[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000103364435 415618700 /nfs/dbraw/zinc/61/87/00/415618700.db2.gz SXQCFLBQACVOAF-LBPRGKRZSA-N 0 0 314.407 0.672 10 0 DCAERN COCCCS(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000104110174 415621822 /nfs/dbraw/zinc/62/18/22/415621822.db2.gz FGRJQFNUGYQWGW-UHFFFAOYSA-N 0 0 300.380 0.372 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000333387350 415630756 /nfs/dbraw/zinc/63/07/56/415630756.db2.gz LKEQZKHJTHZIHF-XQQFMLRXSA-N 0 0 315.439 0.885 10 0 DCAERN C[C@@H]1C[C@@H]1c1nnc2ccc(N[C@H]3CCC(=O)N(C)C3=O)nn21 ZINC000333420103 415643049 /nfs/dbraw/zinc/64/30/49/415643049.db2.gz IYDAWICCDCESIO-UTLUCORTSA-N 0 0 314.349 0.807 10 0 DCAERN CCOC1CC(O)(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000333424720 415646979 /nfs/dbraw/zinc/64/69/79/415646979.db2.gz GQYYWGFZNOIEQE-ZWLBXZKKSA-N 0 0 323.393 0.544 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000333539610 415678453 /nfs/dbraw/zinc/67/84/53/415678453.db2.gz JBXRTRXPSQPAJE-BXUZGUMPSA-N 0 0 315.393 0.133 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cn(-c2cccnc2)nn1 ZINC000333555235 415680545 /nfs/dbraw/zinc/68/05/45/415680545.db2.gz NGABHANQPPYQIT-TXEJJXNPSA-N 0 0 300.366 0.827 10 0 DCAERN 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/nfs/dbraw/zinc/76/22/17/415762217.db2.gz JHTVVAOMCGKPQA-CYBMUJFWSA-N 0 0 301.394 0.755 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000333936753 415767427 /nfs/dbraw/zinc/76/74/27/415767427.db2.gz KUWJDIZQOWTUSM-GJZGRUSLSA-N 0 0 303.410 0.832 10 0 DCAERN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000333970649 415772585 /nfs/dbraw/zinc/77/25/85/415772585.db2.gz VTLRQLAKHYKQIL-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120536633 415774983 /nfs/dbraw/zinc/77/49/83/415774983.db2.gz BTGBIWINSOOXFR-KGLIPLIRSA-N 0 0 305.378 0.948 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC(C)(C)CO)c1 ZINC000354879698 415830592 /nfs/dbraw/zinc/83/05/92/415830592.db2.gz KZOLDUPHRIUCPQ-UHFFFAOYSA-N 0 0 307.350 0.495 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)CC2)co1 ZINC000123601249 415842230 /nfs/dbraw/zinc/84/22/30/415842230.db2.gz APSMERFEABBXNU-UHFFFAOYSA-N 0 0 313.379 0.108 10 0 DCAERN CC(C)(C)c1ncc(NC(=O)C(=O)N2CCC[C@H]2CO)cn1 ZINC000120911374 415787044 /nfs/dbraw/zinc/78/70/44/415787044.db2.gz HLPPTMKGLQEUDI-NSHDSACASA-N 0 0 306.366 0.696 10 0 DCAERN C[C@@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126687517 415879623 /nfs/dbraw/zinc/87/96/23/415879623.db2.gz IKESDAABLPMOBC-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN C=Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)OC)CCOC2)cc1 ZINC000296268072 415916270 /nfs/dbraw/zinc/91/62/70/415916270.db2.gz MDSKGALIZDBCMB-AWEZNQCLSA-N 0 0 311.359 0.940 10 0 DCAERN CN(C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCC1 ZINC000130570339 415921670 /nfs/dbraw/zinc/92/16/70/415921670.db2.gz RGAOXANQAUQVOM-UHFFFAOYSA-N 0 0 312.395 0.554 10 0 DCAERN Cc1c(C(=O)N2CCSCC2)cccc1S(N)(=O)=O ZINC000131127531 415927943 /nfs/dbraw/zinc/92/79/43/415927943.db2.gz GWLDJMWMBBLCQH-UHFFFAOYSA-N 0 0 300.405 0.831 10 0 DCAERN COC(=O)C1(C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000124938145 415855860 /nfs/dbraw/zinc/85/58/60/415855860.db2.gz TXGVIRSVINDHLE-UHFFFAOYSA-N 0 0 300.318 0.837 10 0 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/nfs/dbraw/zinc/03/23/75/416032375.db2.gz BDTKJQCUCMKDHZ-UHFFFAOYSA-N 0 0 312.333 0.306 10 0 DCAERN CC(C)N(C)C(=O)C1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301511768 416085045 /nfs/dbraw/zinc/08/50/45/416085045.db2.gz KQMJKPCHQSJKOR-UHFFFAOYSA-N 0 0 305.382 0.659 10 0 DCAERN CCc1nnc([C@H]2CN(c3ncnc4n[nH]cc43)CCO2)[nH]1 ZINC000301717514 416090816 /nfs/dbraw/zinc/09/08/16/416090816.db2.gz NZHLUNNRROCPTO-SECBINFHSA-N 0 0 300.326 0.611 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](COC)C1)CC2 ZINC000174961343 416092736 /nfs/dbraw/zinc/09/27/36/416092736.db2.gz PKQINBPTPXUXAK-NWDGAFQWSA-N 0 0 323.397 0.212 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000175015895 416094111 /nfs/dbraw/zinc/09/41/11/416094111.db2.gz VJZSCYRURFJZTN-LLVKDONJSA-N 0 0 324.410 0.424 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CCN(c2cccnn2)CC1 ZINC000175077388 416096015 /nfs/dbraw/zinc/09/60/15/416096015.db2.gz MBKHFJPUOZVZQF-UHFFFAOYSA-N 0 0 319.756 0.346 10 0 DCAERN O=C(Cc1ccc(-n2cnnn2)cc1)N1CCn2ccnc2C1 ZINC000357574040 416098553 /nfs/dbraw/zinc/09/85/53/416098553.db2.gz ZHYKXNFVNIWBDY-UHFFFAOYSA-N 0 0 309.333 0.444 10 0 DCAERN O[C@H](CNc1ncnc2c(F)cccc12)CN1CCOCC1 ZINC000302786713 416099411 /nfs/dbraw/zinc/09/94/11/416099411.db2.gz WFKXWYWURPKOHA-LLVKDONJSA-N 0 0 306.341 0.874 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@H](O)Cc2ccccc2Cl)C1 ZINC000357600764 416103071 /nfs/dbraw/zinc/10/30/71/416103071.db2.gz PJZIWOUODFODHY-ZYHUDNBSSA-N 0 0 311.769 0.513 10 0 DCAERN O=C(CCOC1CCOCC1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000175417320 416106453 /nfs/dbraw/zinc/10/64/53/416106453.db2.gz HRSJPOCBKUZONW-OAHLLOKOSA-N 0 0 312.410 0.552 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)Cc3cnn(C)c3)C2=O)n(C)n1 ZINC000175494986 416107694 /nfs/dbraw/zinc/10/76/94/416107694.db2.gz FJCIPFRPQYSFTL-ZDUSSCGKSA-N 0 0 302.382 0.699 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCC[C@@](O)(CO)C1 ZINC000313620589 416107997 /nfs/dbraw/zinc/10/79/97/416107997.db2.gz FBTPRSGHNQXNLR-INIZCTEOSA-N 0 0 306.362 0.647 10 0 DCAERN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@](O)(CO)C1 ZINC000313804467 416110012 /nfs/dbraw/zinc/11/00/12/416110012.db2.gz NRSXGFIIGLTCPJ-LBPRGKRZSA-N 0 0 323.773 0.987 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c2cnn(C)c2n1 ZINC000175637756 416110144 /nfs/dbraw/zinc/11/01/44/416110144.db2.gz SLLLMROHKQERLT-SNVBAGLBSA-N 0 0 311.349 0.613 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CCCF)CC2 ZINC000175582529 416110222 /nfs/dbraw/zinc/11/02/22/416110222.db2.gz MHQRILXJOTZSOU-SNVBAGLBSA-N 0 0 304.391 0.995 10 0 DCAERN COC(=O)c1ccc(CNC(=O)c2cc(C(N)=O)c[nH]2)cc1 ZINC000175687898 416112313 /nfs/dbraw/zinc/11/23/13/416112313.db2.gz VNEADJZFBKFSDE-UHFFFAOYSA-N 0 0 301.302 0.830 10 0 DCAERN CCOCCNC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000175946442 416116571 /nfs/dbraw/zinc/11/65/71/416116571.db2.gz BWXGWRZMYGKDDZ-CYBMUJFWSA-N 0 0 310.398 0.785 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3ccccc3c(=O)n2C)C1 ZINC000357720097 416121837 /nfs/dbraw/zinc/12/18/37/416121837.db2.gz DTBLRTPLIQDRGX-QWHCGFSZSA-N 0 0 316.357 0.760 10 0 DCAERN O=S(=O)(c1c[nH]cn1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000328613578 416122680 /nfs/dbraw/zinc/12/26/80/416122680.db2.gz SKYGSWDBYFOJOH-GHMZBOCLSA-N 0 0 313.404 0.868 10 0 DCAERN O=S(=O)(c1c[nH]cn1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000328613581 416123422 /nfs/dbraw/zinc/12/34/22/416123422.db2.gz SKYGSWDBYFOJOH-WDEREUQCSA-N 0 0 313.404 0.868 10 0 DCAERN CCc1noc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)n1 ZINC000328606809 416123886 /nfs/dbraw/zinc/12/38/86/416123886.db2.gz TVWHUJDSZHXIRB-NWDGAFQWSA-N 0 0 306.370 0.989 10 0 DCAERN CCN1CCN(C(=O)CN2CCCC2=O)C[C@H]1c1nccn1C ZINC000328616092 416123975 /nfs/dbraw/zinc/12/39/75/416123975.db2.gz BJBSZBIKTRECKT-ZDUSSCGKSA-N 0 0 319.409 0.248 10 0 DCAERN c1nc2n(n1)C[C@@H](Nc1nccc(N[C@@H]3CCCOC3)n1)CC2 ZINC000328638562 416126149 /nfs/dbraw/zinc/12/61/49/416126149.db2.gz PECDNFQWICOMGX-NWDGAFQWSA-N 0 0 315.381 1.086 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cnn1C ZINC000176617274 416129768 /nfs/dbraw/zinc/12/97/68/416129768.db2.gz VNBBXMXLZZJVDQ-CYBMUJFWSA-N 0 0 316.365 0.764 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC000176715694 416133386 /nfs/dbraw/zinc/13/33/86/416133386.db2.gz JUNDISHDYQZAOS-NEPJUHHUSA-N 0 0 318.439 0.574 10 0 DCAERN COc1ccc(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000357797934 416134197 /nfs/dbraw/zinc/13/41/97/416134197.db2.gz SYXUHQLMSPFCMX-LLVKDONJSA-N 0 0 306.366 0.852 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177399088 416144492 /nfs/dbraw/zinc/14/44/92/416144492.db2.gz ARBVQXLHHNCPTB-LSDHHAIUSA-N 0 0 321.425 0.778 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000177596483 416147612 /nfs/dbraw/zinc/14/76/12/416147612.db2.gz BCSOEGVPUCYLRS-SNVBAGLBSA-N 0 0 312.395 0.444 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)no1 ZINC000329085740 416148661 /nfs/dbraw/zinc/14/86/61/416148661.db2.gz GLZVCLUCLHUGTE-LLVKDONJSA-N 0 0 312.333 1.352 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H](C)CO ZINC000177796453 416152599 /nfs/dbraw/zinc/15/25/99/416152599.db2.gz DPVISPVFYVRIOY-NXEZZACHSA-N 0 0 308.382 0.846 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)C1 ZINC000177958698 416154051 /nfs/dbraw/zinc/15/40/51/416154051.db2.gz MCRJYNHGJIXBDK-CHWSQXEVSA-N 0 0 307.398 0.981 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)cc1C ZINC000178959076 416179019 /nfs/dbraw/zinc/17/90/19/416179019.db2.gz DWDQUUHDXHJMLU-OAHLLOKOSA-N 0 0 316.405 0.358 10 0 DCAERN Cc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178957204 416179704 /nfs/dbraw/zinc/17/97/04/416179704.db2.gz FOALAMUHUJFIMW-AWEZNQCLSA-N 0 0 302.378 0.050 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)C(C)C ZINC000179127770 416183179 /nfs/dbraw/zinc/18/31/79/416183179.db2.gz GCROKPLHCMBCJY-ZDUSSCGKSA-N 0 0 309.341 0.442 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000179362610 416187135 /nfs/dbraw/zinc/18/71/35/416187135.db2.gz IPDRBHBYQWWGBM-DCAQKATOSA-N 0 0 311.386 0.886 10 0 DCAERN CN(CC(C)(CO)CO)S(=O)(=O)c1cccc2ncccc21 ZINC000180266268 416195781 /nfs/dbraw/zinc/19/57/81/416195781.db2.gz LKVNNISHSTZHJN-UHFFFAOYSA-N 0 0 324.402 0.846 10 0 DCAERN C[C@@H](NC(=O)c1cnn2cc(Br)cnc12)C(N)=O ZINC000180353589 416196096 /nfs/dbraw/zinc/19/60/96/416196096.db2.gz JCRWCUATVTYAEJ-RXMQYKEDSA-N 0 0 312.127 0.095 10 0 DCAERN COc1ccc(C(=O)NCc2noc(C)n2)cc1-n1cnnn1 ZINC000181081805 416204125 /nfs/dbraw/zinc/20/41/25/416204125.db2.gz GXPKOAUUGCZBSZ-UHFFFAOYSA-N 0 0 315.293 0.292 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000181065257 416204189 /nfs/dbraw/zinc/20/41/89/416204189.db2.gz NSOSFBFUPXOMRE-ABAIWWIYSA-N 0 0 304.346 0.526 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CNC(=O)C(C)(C)C)cn1 ZINC000181366811 416205446 /nfs/dbraw/zinc/20/54/46/416205446.db2.gz UAOJSWQQCIPZDG-LBPRGKRZSA-N 0 0 307.398 0.055 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181354788 416205629 /nfs/dbraw/zinc/20/56/29/416205629.db2.gz ZMUJFQITKXXWOW-VHSXEESVSA-N 0 0 300.384 0.539 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181323568 416205994 /nfs/dbraw/zinc/20/59/94/416205994.db2.gz FNHUEUSACYVSDB-CQSZACIVSA-N 0 0 321.425 0.445 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181336350 416206962 /nfs/dbraw/zinc/20/69/62/416206962.db2.gz CYFMIOAETKRHDX-AWEZNQCLSA-N 0 0 321.425 0.588 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCc2cn[nH]c2)C[C@@H](C)S1(=O)=O ZINC000358193325 416209391 /nfs/dbraw/zinc/20/93/91/416209391.db2.gz JDLUXALNMCNCOS-ZYHUDNBSSA-N 0 0 314.411 0.559 10 0 DCAERN Cc1ccc(OC2CCN(C(=O)Cn3cnnn3)CC2)nc1 ZINC000181570527 416209488 /nfs/dbraw/zinc/20/94/88/416209488.db2.gz HBDUSWNGMXTWTE-UHFFFAOYSA-N 0 0 302.338 0.447 10 0 DCAERN CCOC(=O)[C@@H](NC(=O)Cn1nc(C)cc1C)[C@H]1CCCOC1 ZINC000358189391 416209684 /nfs/dbraw/zinc/20/96/84/416209684.db2.gz IDFODLQKOPNNHX-ZFWWWQNUSA-N 0 0 323.393 0.974 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000182007428 416213113 /nfs/dbraw/zinc/21/31/13/416213113.db2.gz DSSLQFVKRHUNQD-KGLIPLIRSA-N 0 0 321.425 0.365 10 0 DCAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000182212713 416215377 /nfs/dbraw/zinc/21/53/77/416215377.db2.gz FPDTYSQGYDGMPE-PWSUYJOCSA-N 0 0 302.334 0.543 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000182236713 416216156 /nfs/dbraw/zinc/21/61/56/416216156.db2.gz GFEQBNPAEXNOCT-ZDUSSCGKSA-N 0 0 306.410 0.954 10 0 DCAERN Cn1cnn(CC(=O)N2CCO[C@@H](c3ccsc3)C2)c1=O ZINC000182388351 416220673 /nfs/dbraw/zinc/22/06/73/416220673.db2.gz XGYIXLUSNACUEH-LLVKDONJSA-N 0 0 308.363 0.243 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000358303097 416222107 /nfs/dbraw/zinc/22/21/07/416222107.db2.gz ARMIJQXDTHULEX-CQSZACIVSA-N 0 0 321.377 0.612 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@@H]2CCCOCC2)n1 ZINC000358340849 416225057 /nfs/dbraw/zinc/22/50/57/416225057.db2.gz QKWFGCCFIKATJY-CYBMUJFWSA-N 0 0 321.377 0.434 10 0 DCAERN C[C@H](CO)N(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182553123 416226121 /nfs/dbraw/zinc/22/61/21/416226121.db2.gz XYWBRHMIXJNHEC-DGCLKSJQSA-N 0 0 306.366 0.599 10 0 DCAERN O=C(Cn1cnc2sccc2c1=O)NC[C@H](CO)C1CC1 ZINC000358350034 416226405 /nfs/dbraw/zinc/22/64/05/416226405.db2.gz KRHIMPGAVLDRDW-SNVBAGLBSA-N 0 0 307.375 0.593 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000182920985 416232447 /nfs/dbraw/zinc/23/24/47/416232447.db2.gz WTTCYSSQXCBBOH-GXTWGEPZSA-N 0 0 312.435 0.709 10 0 DCAERN O=C(C1=CCCCO1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178232571 416158733 /nfs/dbraw/zinc/15/87/33/416158733.db2.gz ZWQZHCLRLYLUDD-LBPRGKRZSA-N 0 0 314.407 0.707 10 0 DCAERN Cc1noc(COCC(=O)N[C@H]2Cc3ccccc3[C@H]2O)n1 ZINC000178336884 416160506 /nfs/dbraw/zinc/16/05/06/416160506.db2.gz OPWHTJYMDUHQFF-SWLSCSKDSA-N 0 0 303.318 0.669 10 0 DCAERN Cc1noc(COCC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000178336861 416160904 /nfs/dbraw/zinc/16/09/04/416160904.db2.gz OPWHTJYMDUHQFF-WFASDCNBSA-N 0 0 303.318 0.669 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178328165 416161016 /nfs/dbraw/zinc/16/10/16/416161016.db2.gz PESIYSFWVCBPRL-BLLLJJGKSA-N 0 0 302.330 0.300 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCS[C@@H]2COCC[C@H]21 ZINC000178477046 416164672 /nfs/dbraw/zinc/16/46/72/416164672.db2.gz XBWLSEJPHKJXBE-GHMZBOCLSA-N 0 0 319.390 0.400 10 0 DCAERN Cn1cc(OCC(=O)N[C@H](CC(N)=O)c2ccccc2)cn1 ZINC000358449330 416240424 /nfs/dbraw/zinc/24/04/24/416240424.db2.gz RULVVWLCOBTLOF-CYBMUJFWSA-N 0 0 302.334 0.532 10 0 DCAERN CCOc1cc(C(=O)N2CCO[C@H](C(=O)NC)C2)ccc1C ZINC000183537956 416245297 /nfs/dbraw/zinc/24/52/97/416245297.db2.gz MFRITUYQUYCNAD-AWEZNQCLSA-N 0 0 306.362 0.981 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000358506043 416245964 /nfs/dbraw/zinc/24/59/64/416245964.db2.gz BZTWEPVIOHRFDQ-VXGBXAGGSA-N 0 0 303.428 0.709 10 0 DCAERN CC[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C(=O)N1CCOCC1 ZINC000183602548 416246130 /nfs/dbraw/zinc/24/61/30/416246130.db2.gz IEUPCHRUTQZAPY-CYBMUJFWSA-N 0 0 320.393 0.515 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000183678680 416248705 /nfs/dbraw/zinc/24/87/05/416248705.db2.gz OSKYUELGUQCFAX-NSHDSACASA-N 0 0 302.334 0.994 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1F)NC[C@H](CO)C1CC1 ZINC000358534428 416251469 /nfs/dbraw/zinc/25/14/69/416251469.db2.gz MXOSEZPTYMJMPA-GFCCVEGCSA-N 0 0 323.368 0.873 10 0 DCAERN CNC(=O)CC(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000184693441 416252314 /nfs/dbraw/zinc/25/23/14/416252314.db2.gz DBCFETGHGPXLEI-UHFFFAOYSA-N 0 0 300.318 0.426 10 0 DCAERN CCC(CC)[C@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186520715 416255755 /nfs/dbraw/zinc/25/57/55/416255755.db2.gz KHYBSLXSODZMKL-CYBMUJFWSA-N 0 0 304.350 0.845 10 0 DCAERN COC(=O)c1coc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000186341543 416256810 /nfs/dbraw/zinc/25/68/10/416256810.db2.gz VKIRGCGCFWUMPJ-LBPRGKRZSA-N 0 0 308.334 0.613 10 0 DCAERN Cc1cc(N2CCN(C[C@H](O)COC3CCOCC3)CC2)n[nH]1 ZINC000187183372 416260027 /nfs/dbraw/zinc/26/00/27/416260027.db2.gz QZLYJJRQDKSYID-AWEZNQCLSA-N 0 0 324.425 0.397 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000187188005 416261395 /nfs/dbraw/zinc/26/13/95/416261395.db2.gz XSAHCFBMDCMAOJ-SWLSCSKDSA-N 0 0 307.398 0.787 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CCN1CCO ZINC000188779852 416264747 /nfs/dbraw/zinc/26/47/47/416264747.db2.gz JQWJGFPTFACJPX-LBPRGKRZSA-N 0 0 308.426 0.856 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188805574 416264983 /nfs/dbraw/zinc/26/49/83/416264983.db2.gz GYAWBEQNCDFBMR-ZDUSSCGKSA-N 0 0 322.471 0.520 10 0 DCAERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000189720141 416270666 /nfs/dbraw/zinc/27/06/66/416270666.db2.gz CNZHVOGOKLGDPB-WDEREUQCSA-N 0 0 318.439 0.573 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)NCCCn2ccnn2)n1 ZINC000189895307 416271691 /nfs/dbraw/zinc/27/16/91/416271691.db2.gz LJPCNDGDFHTZFY-NSHDSACASA-N 0 0 307.358 0.894 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CC1(CO)CC1)C(=O)OC ZINC000190042916 416273210 /nfs/dbraw/zinc/27/32/10/416273210.db2.gz MTANXTUCVZGLOC-WCQYABFASA-N 0 0 300.399 0.395 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCCNC(=O)C1CCC1 ZINC000190227806 416275444 /nfs/dbraw/zinc/27/54/44/416275444.db2.gz ZGZAMYMDCVIHIY-JQWIXIFHSA-N 0 0 304.412 0.390 10 0 DCAERN CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)O2 ZINC000183123768 416236823 /nfs/dbraw/zinc/23/68/23/416236823.db2.gz QJJBJPMKBAAHMA-WULFKBJJSA-N 0 0 310.394 0.951 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@H](C)CC2)cn1 ZINC000192289923 416304152 /nfs/dbraw/zinc/30/41/52/416304152.db2.gz DBVYMQSLLWONAO-SNVBAGLBSA-N 0 0 311.411 0.988 10 0 DCAERN Cn1nnc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000193494064 416317049 /nfs/dbraw/zinc/31/70/49/416317049.db2.gz WQFMLCIJCIIYMR-SMDDNHRTSA-N 0 0 320.784 0.925 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1c[nH]nc1C(C)C ZINC000193494985 416317856 /nfs/dbraw/zinc/31/78/56/416317856.db2.gz FYPZJCOEVXFYAR-UHFFFAOYSA-N 0 0 302.400 0.592 10 0 DCAERN Cc1occc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000194274336 416322725 /nfs/dbraw/zinc/32/27/25/416322725.db2.gz IFPGQHAITNTYNM-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000193913945 416321407 /nfs/dbraw/zinc/32/14/07/416321407.db2.gz HLSQSXPVPAZAHK-CYBMUJFWSA-N 0 0 320.393 0.162 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000190508385 416279683 /nfs/dbraw/zinc/27/96/83/416279683.db2.gz KLDYZCNCKJADBM-LBPRGKRZSA-N 0 0 309.410 0.618 10 0 DCAERN CCS(=O)(=O)N1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000190492409 416279808 /nfs/dbraw/zinc/27/98/08/416279808.db2.gz JXBUMGKEBCPUOK-AWEZNQCLSA-N 0 0 304.456 0.895 10 0 DCAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCNC(=O)CC2)cn1 ZINC000190452202 416279979 /nfs/dbraw/zinc/27/99/79/416279979.db2.gz DXNBIBHEUBWVES-JTQLQIEISA-N 0 0 319.365 0.141 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)CC1=O ZINC000191045355 416284600 /nfs/dbraw/zinc/28/46/00/416284600.db2.gz XWSFSPZZJYWCCP-UHFFFAOYSA-N 0 0 321.381 0.267 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)N1CCN(C(=O)CO)CC1 ZINC000191961568 416293869 /nfs/dbraw/zinc/29/38/69/416293869.db2.gz DPGUGEQEDKLHSK-UHFFFAOYSA-N 0 0 312.395 0.112 10 0 DCAERN O=C(NCc1ccccc1OCCO)NC[C@H](CO)C1CC1 ZINC000358942517 416295572 /nfs/dbraw/zinc/29/55/72/416295572.db2.gz LHSRYRDFDDRBGX-CQSZACIVSA-N 0 0 308.378 0.875 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246977159 416332532 /nfs/dbraw/zinc/33/25/32/416332532.db2.gz JKYYWHQUPDQQDU-STQMWFEESA-N 0 0 306.428 0.436 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000248486950 416333720 /nfs/dbraw/zinc/33/37/20/416333720.db2.gz LLMMVGCRWOUFGV-DYEKYZERSA-N 0 0 320.393 0.893 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccnn1C)CC2 ZINC000265127551 416340111 /nfs/dbraw/zinc/34/01/11/416340111.db2.gz XOLFRZCZDBXYGZ-LBPRGKRZSA-N 0 0 306.366 0.905 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000265251953 416341112 /nfs/dbraw/zinc/34/11/12/416341112.db2.gz AUBDPXPCFCNVLZ-ZWNOBZJWSA-N 0 0 302.371 0.483 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NC2CCC(O)CC2)cn1 ZINC000359426506 416344949 /nfs/dbraw/zinc/34/49/49/416344949.db2.gz KUPVQQNDLJHPQO-UHFFFAOYSA-N 0 0 306.366 0.506 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)NC[C@@H](CO)C1CC1)c2=O ZINC000359777154 416357593 /nfs/dbraw/zinc/35/75/93/416357593.db2.gz FMBMIQRHLUQCPS-LBPRGKRZSA-N 0 0 301.346 0.751 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000194658169 416324098 /nfs/dbraw/zinc/32/40/98/416324098.db2.gz RMOFSCMOYDXMAC-JTQLQIEISA-N 0 0 315.395 0.402 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)NCCCn1ccnn1 ZINC000195450486 416326081 /nfs/dbraw/zinc/32/60/81/416326081.db2.gz MTSPNFQBIHWRNB-UHFFFAOYSA-N 0 0 310.379 0.964 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359777333 416358061 /nfs/dbraw/zinc/35/80/61/416358061.db2.gz HBMWLTJNYIIRTO-GFCCVEGCSA-N 0 0 312.391 0.343 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245741734 416331288 /nfs/dbraw/zinc/33/12/88/416331288.db2.gz GGQDGBJSRAEBFS-CLLJXQQHSA-N 0 0 300.399 0.753 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1N1CCOCC1 ZINC000246294128 416331787 /nfs/dbraw/zinc/33/17/87/416331787.db2.gz BFOZJZDFMMQQRE-CHWSQXEVSA-N 0 0 324.450 0.758 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)CCOC1 ZINC000359900189 416365591 /nfs/dbraw/zinc/36/55/91/416365591.db2.gz OUNWAUPKBPHUCY-OAHLLOKOSA-N 0 0 322.365 0.008 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360114622 416371064 /nfs/dbraw/zinc/37/10/64/416371064.db2.gz HWXKRRWVZPYMSQ-ZDUSSCGKSA-N 0 0 300.380 0.621 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NC[C@@H](O)C(C)C)[C@@H]2C1 ZINC000359829143 416361404 /nfs/dbraw/zinc/36/14/04/416361404.db2.gz QFNWOBLNVLOJNW-LJISPDSOSA-N 0 0 311.426 0.950 10 0 DCAERN COC1(C)CCN(C(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 ZINC000360941691 416416776 /nfs/dbraw/zinc/41/67/76/416416776.db2.gz FYNCGRNYCBOREJ-INIZCTEOSA-N 0 0 308.378 0.627 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCN3CCOC[C@H]3C2)cnn1C ZINC000360313654 416385453 /nfs/dbraw/zinc/38/54/53/416385453.db2.gz LQSGWTHZKKTEGR-DGCLKSJQSA-N 0 0 307.398 0.516 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@H](C)COC ZINC000360467786 416392102 /nfs/dbraw/zinc/39/21/02/416392102.db2.gz KTFMTRBTNRERML-RHYQMDGZSA-N 0 0 316.398 0.478 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000360575470 416397170 /nfs/dbraw/zinc/39/71/70/416397170.db2.gz XZNBYLPPDDWFDA-ZETCQYMHSA-N 0 0 318.317 0.034 10 0 DCAERN COc1c(NC(=O)C(=O)NC[C@H]2C[C@@H]2C)cccc1C(N)=O ZINC000360577097 416397407 /nfs/dbraw/zinc/39/74/07/416397407.db2.gz XIOWVZLJGKMMGW-DTWKUNHWSA-N 0 0 305.334 0.505 10 0 DCAERN CC(=O)NCC1CCN(C(=O)N[C@H]2CCCN(C)C2=O)CC1 ZINC000360586212 416397950 /nfs/dbraw/zinc/39/79/50/416397950.db2.gz ZXAGJTFRJXCHOB-ZDUSSCGKSA-N 0 0 310.398 0.165 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)NCc2noc(C)n2)cc1 ZINC000360653520 416401490 /nfs/dbraw/zinc/40/14/90/416401490.db2.gz QHURHNYSACMKEA-UHFFFAOYSA-N 0 0 324.362 0.839 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)NCc1cnnn1C)c2=O ZINC000360677737 416402980 /nfs/dbraw/zinc/40/29/80/416402980.db2.gz SOUPQKDTIZIVRD-UHFFFAOYSA-N 0 0 313.317 0.595 10 0 DCAERN CC[C@@H](CSC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000360766647 416409274 /nfs/dbraw/zinc/40/92/74/416409274.db2.gz RVGTYIQHVZUDCT-PWSUYJOCSA-N 0 0 315.439 0.323 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)CC1=O ZINC000583621040 416479863 /nfs/dbraw/zinc/47/98/63/416479863.db2.gz OWRVDDFLDDSDCE-RYUDHWBXSA-N 0 0 305.382 0.093 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000583619522 416480138 /nfs/dbraw/zinc/48/01/38/416480138.db2.gz CMNUNVRRLMYJMC-QWHCGFSZSA-N 0 0 320.324 0.628 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)NCC1(O)Cc2ccccc2C1 ZINC000361070712 416420012 /nfs/dbraw/zinc/42/00/12/416420012.db2.gz XWYMUKMWOAQSQL-LBPRGKRZSA-N 0 0 311.403 0.472 10 0 DCAERN CNC(=O)CCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361194870 416425319 /nfs/dbraw/zinc/42/53/19/416425319.db2.gz VZOVWVSIGXCAGL-LLVKDONJSA-N 0 0 311.304 0.611 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC1=O ZINC000361194831 416425449 /nfs/dbraw/zinc/42/54/49/416425449.db2.gz DNLARWMDZLNSLU-JOYOIKCWSA-N 0 0 323.315 0.706 10 0 DCAERN C/C=C\C[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OCC ZINC000361538787 416444665 /nfs/dbraw/zinc/44/46/65/416444665.db2.gz SUVMAKLKQFJOQJ-FHMRSRPSSA-N 0 0 305.334 0.808 10 0 DCAERN C[C@H](O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000532766655 416454084 /nfs/dbraw/zinc/45/40/84/416454084.db2.gz XFIVDGFKUVBNLZ-NDBYEHHHSA-N 0 0 306.428 0.433 10 0 DCAERN Cc1cc(CN(C)C(=O)c2ccnc(S(N)(=O)=O)c2)no1 ZINC000361913528 416522038 /nfs/dbraw/zinc/52/20/38/416522038.db2.gz WWSPRFAQINGRIX-UHFFFAOYSA-N 0 0 310.335 0.298 10 0 DCAERN O=C([C@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC(n2ccnn2)C1 ZINC000361926062 416523564 /nfs/dbraw/zinc/52/35/64/416523564.db2.gz VBHCGQJCNLWADZ-IUCAKERBSA-N 0 0 317.271 0.119 10 0 DCAERN Cc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1S(C)(=O)=O ZINC000361929165 416523832 /nfs/dbraw/zinc/52/38/32/416523832.db2.gz ZDNLDDQUDJBVET-UHFFFAOYSA-N 0 0 320.374 0.687 10 0 DCAERN Cn1cnc(CNC(=O)Nc2cccc(N3CCOCC3)c2)n1 ZINC000535787323 416529544 /nfs/dbraw/zinc/52/95/44/416529544.db2.gz UFLNOJOTTPRGDG-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN CNC(=O)NC(=O)CCN1CCO[C@@H](COc2ccccc2)C1 ZINC000361987224 416541083 /nfs/dbraw/zinc/54/10/83/416541083.db2.gz SSUOGICHSZABGL-CQSZACIVSA-N 0 0 321.377 0.612 10 0 DCAERN CC(=O)Nc1ccc(CNS(=O)(=O)N2CCC[C@@H]2C)cn1 ZINC000435927389 416542401 /nfs/dbraw/zinc/54/24/01/416542401.db2.gz MLQVZMWSKJBIEH-JTQLQIEISA-N 0 0 312.395 0.859 10 0 DCAERN NC(=O)[C@H](NC(=O)c1cccc2ncnn21)c1ccc(F)cc1 ZINC000362066709 416554864 /nfs/dbraw/zinc/55/48/64/416554864.db2.gz KBUOCKLQWHMHIF-CYBMUJFWSA-N 0 0 313.292 0.825 10 0 DCAERN CN(C)c1nccc(N2CCN([C@H]3CCCN(C)C3=O)CC2)n1 ZINC000537610215 416559642 /nfs/dbraw/zinc/55/96/42/416559642.db2.gz IRTYOOSPMDJEAT-ZDUSSCGKSA-N 0 0 318.425 0.285 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000361788225 416496439 /nfs/dbraw/zinc/49/64/39/416496439.db2.gz QWBLEPAAMUSZPJ-CKYFFXLPSA-N 0 0 304.412 0.277 10 0 DCAERN C[C@H](CO)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434941951 416505796 /nfs/dbraw/zinc/50/57/96/416505796.db2.gz GDZPYHGFQKYICU-JTQLQIEISA-N 0 0 309.366 1.189 10 0 DCAERN CCc1nnc([C@@H](C)NC(=O)NCc2nnc3ccccn32)[nH]1 ZINC000534991448 416510807 /nfs/dbraw/zinc/51/08/07/416510807.db2.gz HDQSXQRJUDUOFD-SECBINFHSA-N 0 0 314.353 0.970 10 0 DCAERN NC(=O)c1ccc(C(=O)NCCCc2nnc3ccccn32)o1 ZINC000437223501 416580487 /nfs/dbraw/zinc/58/04/87/416580487.db2.gz URPKZTCRMSERJU-UHFFFAOYSA-N 0 0 313.317 0.784 10 0 DCAERN COC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC000437397757 416583659 /nfs/dbraw/zinc/58/36/59/416583659.db2.gz PUDVGXGQOLWXJB-LBPRGKRZSA-N 0 0 321.308 0.743 10 0 DCAERN NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)NCCF ZINC000437694076 416587774 /nfs/dbraw/zinc/58/77/74/416587774.db2.gz MLFHVAOKVRYDGY-LBPRGKRZSA-N 0 0 315.389 0.793 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)CCCS(C)(=O)=O)no1 ZINC000441723572 416679735 /nfs/dbraw/zinc/67/97/35/416679735.db2.gz ANDFDYGEDJVWME-UHFFFAOYSA-N 0 0 303.384 0.808 10 0 DCAERN COCCN(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000441906166 416682548 /nfs/dbraw/zinc/68/25/48/416682548.db2.gz SKRGWTVFHHLJHC-UHFFFAOYSA-N 0 0 318.370 0.746 10 0 DCAERN CC[C@H](NC(=O)N1C[C@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000439647016 416619883 /nfs/dbraw/zinc/61/98/83/416619883.db2.gz XBVMKHJEMFEQNN-AVGNSLFASA-N 0 0 313.398 0.443 10 0 DCAERN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc2ncnn21 ZINC000542499729 416626034 /nfs/dbraw/zinc/62/60/34/416626034.db2.gz PXXBJAVOOYNBJH-IAQYHMDHSA-N 0 0 302.334 0.797 10 0 DCAERN CCOC(=O)[C@@H](CCOC(C)(C)C)NS(=O)(=O)C1COC1 ZINC000493978579 416643979 /nfs/dbraw/zinc/64/39/79/416643979.db2.gz SXNIXORUUOPNOH-LLVKDONJSA-N 0 0 323.411 0.442 10 0 DCAERN CNC(=O)c1ccc(NC2CCN(C(=O)C3CC3)CC2)nn1 ZINC000607723060 416648347 /nfs/dbraw/zinc/64/83/47/416648347.db2.gz PCEQLJSCGAHJST-UHFFFAOYSA-N 0 0 303.366 0.649 10 0 DCAERN CNc1ccc(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)cn1 ZINC000367700756 416651508 /nfs/dbraw/zinc/65/15/08/416651508.db2.gz XBIRMURVLWXCRD-ZDUSSCGKSA-N 0 0 301.350 1.071 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)[C@H]2CCC(=O)N2)(C(=O)OC)C1(C)C ZINC000440861465 416652636 /nfs/dbraw/zinc/65/26/36/416652636.db2.gz MIFJVHDLWJEFJB-FTGAXOIBSA-N 0 0 312.366 0.128 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000440942654 416654463 /nfs/dbraw/zinc/65/44/63/416654463.db2.gz GFXCRIONQVFMEZ-GHMZBOCLSA-N 0 0 321.381 0.136 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)N1CCN2CCOC[C@H]2C1 ZINC000544650354 416658960 /nfs/dbraw/zinc/65/89/60/416658960.db2.gz KVVUMTFFMPWQHB-UONOGXRCSA-N 0 0 309.410 0.814 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H](C)CN2CCCC2=O)n1 ZINC000441247584 416666648 /nfs/dbraw/zinc/66/66/48/416666648.db2.gz RWAKATQFDSSVMT-LBPRGKRZSA-N 0 0 320.393 0.943 10 0 DCAERN CCc1nc(C(C)(C)NC[C@H](O)CO[C@H](C)COC)no1 ZINC000441260102 416667444 /nfs/dbraw/zinc/66/74/44/416667444.db2.gz GGELZMWNXAZFDV-MNOVXSKESA-N 0 0 301.387 0.869 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@@H](NC(C)=O)C2)n1 ZINC000441465838 416674064 /nfs/dbraw/zinc/67/40/64/416674064.db2.gz QNMFLAZBSBIXJT-CQSZACIVSA-N 0 0 320.393 0.943 10 0 DCAERN Cc1cc(CCNc2nc(C)c(S(N)(=O)=O)s2)on1 ZINC000557763157 416749262 /nfs/dbraw/zinc/74/92/62/416749262.db2.gz YEALSRPDFBLFFV-UHFFFAOYSA-N 0 0 302.381 1.050 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c(C)n1 ZINC000442079639 416685448 /nfs/dbraw/zinc/68/54/48/416685448.db2.gz LIHFXGKRMKEJHH-LBPRGKRZSA-N 0 0 323.418 0.963 10 0 DCAERN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000442292211 416691617 /nfs/dbraw/zinc/69/16/17/416691617.db2.gz FBJJUZNJYCFMCQ-NWDGAFQWSA-N 0 0 319.409 0.637 10 0 DCAERN Cc1cc(NC(=O)CC[S@](=O)Cc2cnc(C)nc2)no1 ZINC000556785165 416716264 /nfs/dbraw/zinc/71/62/64/416716264.db2.gz USXVZTDKOPONHB-OAQYLSRUSA-N 0 0 308.363 1.359 10 0 DCAERN Cc1nnc2c(NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)nccn12 ZINC000556969367 416722509 /nfs/dbraw/zinc/72/25/09/416722509.db2.gz DNADOQXNYBMOPQ-QWHCGFSZSA-N 0 0 317.393 1.412 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)c2ccn(C)n2)(C(=O)OC)C1(C)C ZINC000614903916 416722843 /nfs/dbraw/zinc/72/28/43/416722843.db2.gz HYWFLAWVWWDCFP-IAQYHMDHSA-N 0 0 309.366 0.897 10 0 DCAERN CN(CCCO)C(=O)[C@@H]1CCC[C@@H](C(=O)N(C)CCCO)C1 ZINC000442991052 416725108 /nfs/dbraw/zinc/72/51/08/416725108.db2.gz JVFQZRMSLXWMRR-ZIAGYGMSSA-N 0 0 314.426 0.474 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000369379746 416765625 /nfs/dbraw/zinc/76/56/25/416765625.db2.gz OJIPMHUQFRXQEU-UHFFFAOYSA-N 0 0 315.366 0.680 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cn1 ZINC000558607320 416779749 /nfs/dbraw/zinc/77/97/49/416779749.db2.gz KONWITKFMBLIJZ-UHFFFAOYSA-N 0 0 315.333 0.628 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Nc3cn(C)nn3)[C@@H]2C1 ZINC000517795422 416824601 /nfs/dbraw/zinc/82/46/01/416824601.db2.gz LDCOMZJVVUBTTD-TUAOUCFPSA-N 0 0 306.370 0.584 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000369594035 416803305 /nfs/dbraw/zinc/80/33/05/416803305.db2.gz IEFZUBYJMMIJEU-SRVKXCTJSA-N 0 0 306.366 0.280 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000518818411 416879759 /nfs/dbraw/zinc/87/97/59/416879759.db2.gz BLWOOMNNRDXKBX-YPMHNXCESA-N 0 0 301.346 0.434 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000445217791 416891059 /nfs/dbraw/zinc/89/10/59/416891059.db2.gz DQUYOVOLPNTDII-BDAKNGLRSA-N 0 0 311.354 0.637 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000369895969 416846378 /nfs/dbraw/zinc/84/63/78/416846378.db2.gz BCTSOJJWGRWAHR-GFCCVEGCSA-N 0 0 319.361 0.177 10 0 DCAERN Nc1nccnc1C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000518460606 416855700 /nfs/dbraw/zinc/85/57/00/416855700.db2.gz AMZBTVXQQBNBFJ-CYBMUJFWSA-N 0 0 314.345 0.979 10 0 DCAERN C[C@@H](O)CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000444680309 416857841 /nfs/dbraw/zinc/85/78/41/416857841.db2.gz DYDHRACWNFBZKK-GFCCVEGCSA-N 0 0 321.377 0.352 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@H](O)Cc1cnn(C)c1)CC2 ZINC000615763873 416902226 /nfs/dbraw/zinc/90/22/26/416902226.db2.gz WQSXOBQFBHHKLZ-CHWSQXEVSA-N 0 0 321.377 0.125 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NC[C@H]1COCCO1 ZINC000519798807 416939063 /nfs/dbraw/zinc/93/90/63/416939063.db2.gz JKJWFYDJHUHDNB-OLZOCXBDSA-N 0 0 322.361 0.931 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NC[C@H]1COCCO1 ZINC000519798811 416939626 /nfs/dbraw/zinc/93/96/26/416939626.db2.gz JKJWFYDJHUHDNB-STQMWFEESA-N 0 0 322.361 0.931 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)[C@H]2C1 ZINC000624076248 416951262 /nfs/dbraw/zinc/95/12/62/416951262.db2.gz OIJJTGMWFSKQJB-HTVCTNPSSA-N 0 0 322.409 0.197 10 0 DCAERN COc1cc(NC(=O)CN(C)CCNC(C)=O)cc(OC)c1 ZINC000520954946 416983730 /nfs/dbraw/zinc/98/37/30/416983730.db2.gz XDTVRTXSHIODOE-UHFFFAOYSA-N 0 0 309.366 0.710 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)c1c[nH]cn1)[C@@H]2C ZINC000375367011 416999277 /nfs/dbraw/zinc/99/92/77/416999277.db2.gz MCDIHTXRASNGLA-SECBINFHSA-N 0 0 310.383 0.890 10 0 DCAERN CCOc1cc(N2C[C@@H](O)[C@H](Oc3cnn(CC)c3)C2)ncn1 ZINC000624420819 417037417 /nfs/dbraw/zinc/03/74/17/417037417.db2.gz AIFDQUTTYRUMTA-CHWSQXEVSA-N 0 0 319.365 0.720 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)COC3CCCC3)CC2)[nH]1 ZINC000522854911 417071356 /nfs/dbraw/zinc/07/13/56/417071356.db2.gz CYAMJABOSLWFLS-UHFFFAOYSA-N 0 0 307.398 0.717 10 0 DCAERN COc1nc(N[C@@H]2CCOC[C@@H]2O)ncc1Br ZINC000624688561 417084577 /nfs/dbraw/zinc/08/45/77/417084577.db2.gz UPXGOOLXTCNLMS-SFYZADRCSA-N 0 0 304.144 0.809 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616595981 417085162 /nfs/dbraw/zinc/08/51/62/417085162.db2.gz WTOOCXDQXUBZDD-ZDUSSCGKSA-N 0 0 307.375 0.854 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@@H](c2c[nH]nc2N)C1 ZINC000616645263 417086606 /nfs/dbraw/zinc/08/66/06/417086606.db2.gz AUSOOBUUEGHCHJ-LLVKDONJSA-N 0 0 311.386 0.890 10 0 DCAERN CCOC(=O)[C@@H]1CN(CCNC(=O)OC(C)(C)C)CCN1 ZINC000616634027 417086803 /nfs/dbraw/zinc/08/68/03/417086803.db2.gz KNKMZXWXOHPTQC-NSHDSACASA-N 0 0 301.387 0.348 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H]1c1cc(N)n[nH]1 ZINC000616640779 417087358 /nfs/dbraw/zinc/08/73/58/417087358.db2.gz NNSSWVBALKRNBD-NSHDSACASA-N 0 0 311.386 0.890 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616653572 417088976 /nfs/dbraw/zinc/08/89/76/417088976.db2.gz ZNBSFAUVJGBBKV-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](Nc2cc[nH]n2)C1 ZINC000616664815 417089507 /nfs/dbraw/zinc/08/95/07/417089507.db2.gz ZVACYVDLQJGZBQ-LBPRGKRZSA-N 0 0 322.390 0.911 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616657453 417090065 /nfs/dbraw/zinc/09/00/65/417090065.db2.gz AZLHMBIQIDMWNR-JTQLQIEISA-N 0 0 323.415 0.196 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616664856 417091411 /nfs/dbraw/zinc/09/14/11/417091411.db2.gz BYJKOFHTRNGERP-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)Cc2cn(C)nc2C)CC1 ZINC000448856935 417106029 /nfs/dbraw/zinc/10/60/29/417106029.db2.gz OAYSTMAKFPIYFM-UHFFFAOYSA-N 0 0 322.409 0.368 10 0 DCAERN COC(=O)CCN(CC(=O)N(C)CC1CC1)C[C@@H]1CCCO1 ZINC000524481274 417108536 /nfs/dbraw/zinc/10/85/36/417108536.db2.gz PJQHAEWQRQIUKM-AWEZNQCLSA-N 0 0 312.410 0.899 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)C3CC(C)(O)C3)CC2)cn1 ZINC000448921584 417109265 /nfs/dbraw/zinc/10/92/65/417109265.db2.gz NNGSCKJKOFCGRC-UHFFFAOYSA-N 0 0 306.410 0.615 10 0 DCAERN CC(=O)N1CCCN(S(=O)(=O)[C@H]2COC(C)(C)C2)CC1 ZINC000624810270 417119604 /nfs/dbraw/zinc/11/96/04/417119604.db2.gz BRZSVFBSOKBWRH-GFCCVEGCSA-N 0 0 304.412 0.438 10 0 DCAERN COC(=O)CN(C(=O)Cn1nc(C)cc1C)C1CCOCC1 ZINC000525217228 417131378 /nfs/dbraw/zinc/13/13/78/417131378.db2.gz LWSNAQSJVFWPGJ-UHFFFAOYSA-N 0 0 309.366 0.681 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2ccnc(OC)n2)CC1 ZINC000449260370 417134033 /nfs/dbraw/zinc/13/40/33/417134033.db2.gz VXCBYRSVJLMJGJ-UHFFFAOYSA-N 0 0 308.382 0.554 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000408022586 417134390 /nfs/dbraw/zinc/13/43/90/417134390.db2.gz URHYYYRJWLTKNE-GHMZBOCLSA-N 0 0 313.423 0.425 10 0 DCAERN CC1CN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000407981629 417130602 /nfs/dbraw/zinc/13/06/02/417130602.db2.gz UOLVJVHGWNINIU-AWEZNQCLSA-N 0 0 309.366 0.080 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H]1CSCN1C(C)=O ZINC000408062081 417136987 /nfs/dbraw/zinc/13/69/87/417136987.db2.gz MVKRDNIRWBTZSI-TUAOUCFPSA-N 0 0 302.396 0.170 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CCN(C)C[C@H]3C)c(=O)n2c1 ZINC000408114184 417141605 /nfs/dbraw/zinc/14/16/05/417141605.db2.gz WHNGTXVSHKWRSL-GFCCVEGCSA-N 0 0 300.362 0.779 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCNC2=O)cc1 ZINC000616966359 417141978 /nfs/dbraw/zinc/14/19/78/417141978.db2.gz OEQLRUCTFOBIFQ-AWEZNQCLSA-N 0 0 304.346 0.592 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C)CCO)c1 ZINC000437771479 287363755 /nfs/dbraw/zinc/36/37/55/287363755.db2.gz FMFPGHGAASEWTM-JTQLQIEISA-N 0 0 315.395 0.735 10 0 DCAERN O=C(COc1cccc(Br)c1)N[C@@H]1CCNC1=O ZINC000616972543 417147270 /nfs/dbraw/zinc/14/72/70/417147270.db2.gz IDGGPPNBEIHAFW-SNVBAGLBSA-N 0 0 313.151 0.833 10 0 DCAERN CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)onc2N)[C@H](C)C1 ZINC000408206115 417149314 /nfs/dbraw/zinc/14/93/14/417149314.db2.gz MRKFANRMPCDZMP-MWLCHTKSSA-N 0 0 316.427 0.916 10 0 DCAERN CC(C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000408296855 417152884 /nfs/dbraw/zinc/15/28/84/417152884.db2.gz GRVZVVAHMLSNJA-NSHDSACASA-N 0 0 300.384 0.310 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)CNC(=O)c1ccco1)CCO2 ZINC000408298836 417153520 /nfs/dbraw/zinc/15/35/20/417153520.db2.gz RANOBEIIPHUCMX-XHDPSFHLSA-N 0 0 308.334 0.416 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)C[C@@H]1C ZINC000408296747 417154013 /nfs/dbraw/zinc/15/40/13/417154013.db2.gz CNIVXWKZJULDIV-SHSFNPOBSA-N 0 0 302.396 0.348 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000408332300 417157067 /nfs/dbraw/zinc/15/70/67/417157067.db2.gz RLWZNIDOMFGOPJ-NXEZZACHSA-N 0 0 311.411 0.584 10 0 DCAERN C[C@@H]1CC[S@](=O)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC000408397797 417158609 /nfs/dbraw/zinc/15/86/09/417158609.db2.gz ZIKQFGZTPTZJJK-SBKAZYGRSA-N 0 0 301.412 0.160 10 0 DCAERN C[C@H](CNC(=O)c1cn2cccnc2n1)N1CCCCC1=O ZINC000526016227 417172316 /nfs/dbraw/zinc/17/23/16/417172316.db2.gz RJSMENKZZGZUSD-LLVKDONJSA-N 0 0 301.350 0.860 10 0 DCAERN Cc1nnc(-c2ccccc2NC(=O)CN2CCOCC2=O)o1 ZINC000568831034 417181212 /nfs/dbraw/zinc/18/12/12/417181212.db2.gz KEBCSOGBQZZIAY-UHFFFAOYSA-N 0 0 316.317 0.842 10 0 DCAERN CCC[C@H](O)CNC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000437790395 287364512 /nfs/dbraw/zinc/36/45/12/287364512.db2.gz ZOQIHTIMTQKDLL-NSHDSACASA-N 0 0 315.395 0.877 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)NCCN1CCCS1(=O)=O ZINC000432525392 417187903 /nfs/dbraw/zinc/18/79/03/417187903.db2.gz VKALQRVHXYBITH-GFCCVEGCSA-N 0 0 318.439 0.924 10 0 DCAERN CC(C)N1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1=O ZINC000569032285 417207749 /nfs/dbraw/zinc/20/77/49/417207749.db2.gz GETJWZCYPHYWLS-UHFFFAOYSA-N 0 0 308.386 1.118 10 0 DCAERN COCCn1ccc(=NC(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)[nH]1 ZINC000527072753 417210889 /nfs/dbraw/zinc/21/08/89/417210889.db2.gz HJGLTCKAPZQGKG-LLVKDONJSA-N 0 0 320.353 0.592 10 0 DCAERN CN(C)c1nc(N2CC[C@@H](NC(N)=O)C2)nc2ccccc21 ZINC000450414031 417223262 /nfs/dbraw/zinc/22/32/62/417223262.db2.gz WEMQBKUANQMDTP-SNVBAGLBSA-N 0 0 300.366 0.943 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](C)N2CCCCC2=O)C1 ZINC000527257679 417229121 /nfs/dbraw/zinc/22/91/21/417229121.db2.gz HOFOPEPFJVGTGG-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN CCOC(=O)[C@H](CO)NC(=O)c1cccc(C(F)(F)F)n1 ZINC000450519426 417236610 /nfs/dbraw/zinc/23/66/10/417236610.db2.gz MIKWGKDRINSKSF-QMMMGPOBSA-N 0 0 306.240 0.754 10 0 DCAERN COC(=O)c1cncc(S(=O)(=O)N[C@@H]2CC[C@H](OC)C2)c1 ZINC000569307111 417237990 /nfs/dbraw/zinc/23/79/90/417237990.db2.gz KQYLJVPJMVRPEG-MNOVXSKESA-N 0 0 314.363 0.714 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccc(C(=O)OC)nn2)CC12COC2 ZINC000450556994 417238133 /nfs/dbraw/zinc/23/81/33/417238133.db2.gz HQCIUWBRCSTBDH-JTQLQIEISA-N 0 0 321.333 0.279 10 0 DCAERN O=C(CCC(=O)N1CCOCC1)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000527500378 417246681 /nfs/dbraw/zinc/24/66/81/417246681.db2.gz RLDYOOUIXXSWOS-LBPRGKRZSA-N 0 0 322.365 0.839 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000632994889 417311005 /nfs/dbraw/zinc/31/10/05/417311005.db2.gz IMNFCRABUQEEAX-LLVKDONJSA-N 0 0 318.377 0.595 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC1CC(F)(F)C1 ZINC000451244430 417319548 /nfs/dbraw/zinc/31/95/48/417319548.db2.gz MXXBQJWLCIJNPK-RKDXNWHRSA-N 0 0 320.336 0.994 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000451238942 417319899 /nfs/dbraw/zinc/31/98/99/417319899.db2.gz AGMDLBQHSXUCFY-PJSNJIKXSA-N 0 0 310.394 0.995 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1(C(=O)CC)CC1 ZINC000451240231 417320133 /nfs/dbraw/zinc/32/01/33/417320133.db2.gz CQDGHGKSJBJXNW-UWVGGRQHSA-N 0 0 312.366 0.318 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(C(=O)C2CC2)CC1 ZINC000451250792 417325377 /nfs/dbraw/zinc/32/53/77/417325377.db2.gz XVYSZXYUWBECDN-ZJUUUORDSA-N 0 0 324.377 0.318 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)CCCc2ncc(C)o2)CC1 ZINC000622308762 417425676 /nfs/dbraw/zinc/42/56/76/417425676.db2.gz SGXZKZBUUXUMOC-UHFFFAOYSA-N 0 0 322.409 0.586 10 0 DCAERN O=C(C1CN(CC(F)F)C1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000622329854 417428818 /nfs/dbraw/zinc/42/88/18/417428818.db2.gz ZSTCVEBRSXWKGW-NSHDSACASA-N 0 0 316.352 0.200 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC000633465836 417434810 /nfs/dbraw/zinc/43/48/10/417434810.db2.gz RQXXFSXLUXFMEX-IUODEOHRSA-N 0 0 317.345 0.861 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)CC12COC2 ZINC000452264250 417462580 /nfs/dbraw/zinc/46/25/80/417462580.db2.gz NWPMDFWSDUXDJK-LBPRGKRZSA-N 0 0 307.350 0.299 10 0 DCAERN O=C(NCC[C@H]1CCOC1)C(=O)N1CCOC2(CCCC2)C1 ZINC000575349595 417529457 /nfs/dbraw/zinc/52/94/57/417529457.db2.gz WCICFFVFUIEXFH-ZDUSSCGKSA-N 0 0 310.394 0.701 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000575824590 417553642 /nfs/dbraw/zinc/55/36/42/417553642.db2.gz UYTCHNXBVARXFT-SNVBAGLBSA-N 0 0 317.349 0.113 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000633869091 417500679 /nfs/dbraw/zinc/50/06/79/417500679.db2.gz PFJHPSYSTCFPJG-FRRDWIJNSA-N 0 0 306.362 1.000 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000633876563 417505235 /nfs/dbraw/zinc/50/52/35/417505235.db2.gz NMLZQIJPGNXMIM-HOTGVXAUSA-N 0 0 308.378 0.893 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1 ZINC000454851575 417581376 /nfs/dbraw/zinc/58/13/76/417581376.db2.gz VQQBXVRAVKGMNK-JHJVBQTASA-N 0 0 312.414 0.999 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000530850377 417590933 /nfs/dbraw/zinc/59/09/33/417590933.db2.gz LPAWPFVSHPLNBU-QGZVFWFLSA-N 0 0 316.401 0.891 10 0 DCAERN O=C(COCC(=O)N1CCC12CCC2)NCc1cccnc1 ZINC000530877433 417592989 /nfs/dbraw/zinc/59/29/89/417592989.db2.gz AJSLQBGMVQLRDV-UHFFFAOYSA-N 0 0 303.362 0.869 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cnns2)CC12COC2 ZINC000455236516 417597727 /nfs/dbraw/zinc/59/77/27/417597727.db2.gz NWAVRSXSWWXPPZ-QMMMGPOBSA-N 0 0 312.351 0.582 10 0 DCAERN C[C@@]1(CNC(=O)N2CCC[C@](O)(C(F)(F)F)C2)CCC(=O)N1 ZINC000455643560 417614494 /nfs/dbraw/zinc/61/44/94/417614494.db2.gz YZHGSWHGUMCUQR-NWDGAFQWSA-N 0 0 323.315 0.754 10 0 DCAERN Cc1c(NC(=O)C(=O)N(CCO)CCCO)cccc1N(C)C ZINC000440307081 287397795 /nfs/dbraw/zinc/39/77/95/287397795.db2.gz OBPGGFQBPWMQGG-UHFFFAOYSA-N 0 0 323.393 0.203 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H]2COc3cccc(C)c3C2)nn1 ZINC000628466145 417622193 /nfs/dbraw/zinc/62/21/93/417622193.db2.gz USHRUZBPOMWZSY-GFCCVEGCSA-N 0 0 314.345 0.909 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000440261849 287395765 /nfs/dbraw/zinc/39/57/65/287395765.db2.gz AJLUOKLCAHRVMT-NSHDSACASA-N 0 0 305.382 0.249 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531438225 417623972 /nfs/dbraw/zinc/62/39/72/417623972.db2.gz ZFOMCLDURIRREI-UHFFFAOYSA-N 0 0 313.379 0.011 10 0 DCAERN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC000635379929 417647866 /nfs/dbraw/zinc/64/78/66/417647866.db2.gz CAXPUIIPKCUTTO-KGLIPLIRSA-N 0 0 313.361 0.470 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000532063530 417654980 /nfs/dbraw/zinc/65/49/80/417654980.db2.gz HWQLFQNTSKWBCG-CHWSQXEVSA-N 0 0 300.366 0.983 10 0 DCAERN CC(C)OC(=O)[C@H](C)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000456615807 417656546 /nfs/dbraw/zinc/65/65/46/417656546.db2.gz OETSTNIRMORMOV-XHDPSFHLSA-N 0 0 310.350 0.056 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000532168454 417664800 /nfs/dbraw/zinc/66/48/00/417664800.db2.gz RZMDAAYOVZQQOL-QEJZJMRPSA-N 0 0 300.399 0.096 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@H]2CCOC[C@@H]2O)n1 ZINC000629224890 417761342 /nfs/dbraw/zinc/76/13/42/417761342.db2.gz NFDYQSWZBGEOFG-YUMQZZPRSA-N 0 0 303.771 0.732 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@H]2COCCC2=O)n1 ZINC000628869166 417707120 /nfs/dbraw/zinc/70/71/20/417707120.db2.gz GGVVSHXAUAQWDP-ZETCQYMHSA-N 0 0 301.755 0.940 10 0 DCAERN COc1cc(CNC(=O)NC[C@@H](O)Cn2ccnn2)ccc1C ZINC000457927760 417712730 /nfs/dbraw/zinc/71/27/30/417712730.db2.gz INCAFNWDWBDERA-CYBMUJFWSA-N 0 0 319.365 0.455 10 0 DCAERN Cn1cc(C(=O)NC[C@@H](O)Cn2ccnn2)c2cc(F)ccc21 ZINC000458149969 417725141 /nfs/dbraw/zinc/72/51/41/417725141.db2.gz VHCUYKJVNFAUBZ-LLVKDONJSA-N 0 0 317.324 0.700 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922936 417726526 /nfs/dbraw/zinc/72/65/26/417726526.db2.gz QMGDAVHADBWCTP-JTQLQIEISA-N 0 0 314.183 0.905 10 0 DCAERN CC(=O)N1CC[C@@H](Nc2c(F)cccc2S(N)(=O)=O)C1 ZINC000631380408 417868040 /nfs/dbraw/zinc/86/80/40/417868040.db2.gz WJAGXNDXOQNGSS-SECBINFHSA-N 0 0 301.343 0.506 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(OC(C)C)ncn1 ZINC000664273503 418109177 /nfs/dbraw/zinc/10/91/77/418109177.db2.gz SPBFSEIZYGNOPS-VHSXEESVSA-N 0 0 301.368 0.488 10 0 DCAERN COCCS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173892708 292607336 /nfs/dbraw/zinc/60/73/36/292607336.db2.gz JZXABJUUBIMADS-CYBMUJFWSA-N 0 0 306.428 0.149 10 0 DCAERN CCN1CN(C(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O ZINC000189869872 335080344 /nfs/dbraw/zinc/08/03/44/335080344.db2.gz OOZBDEBRDGBJKP-UHFFFAOYSA-N 0 0 322.340 0.387 10 0 DCAERN CC(C)[C@H](CO)[C@@H](NC(=O)CN1CCOCC1=O)C(C)C ZINC000452908036 287490213 /nfs/dbraw/zinc/49/02/13/287490213.db2.gz DCYXNQTVAKVGAP-WFASDCNBSA-N 0 0 300.399 0.251 10 0 DCAERN CCOCCNC(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000454305949 287493388 /nfs/dbraw/zinc/49/33/88/287493388.db2.gz BLFCUHFXBZZEHU-NSHDSACASA-N 0 0 300.355 0.244 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000487124439 287532261 /nfs/dbraw/zinc/53/22/61/287532261.db2.gz RKEIJQLNEGILBN-ZJUUUORDSA-N 0 0 324.381 0.719 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](C)SC ZINC000487137688 287533127 /nfs/dbraw/zinc/53/31/27/287533127.db2.gz MZARBTUUBLNKHI-BBBLOLIVSA-N 0 0 304.412 0.701 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)COC1CCCC1 ZINC000488313804 287549086 /nfs/dbraw/zinc/54/90/86/287549086.db2.gz XMXSGHCYAPBDBB-MNOVXSKESA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccncc1F ZINC000488159327 287546732 /nfs/dbraw/zinc/54/67/32/287546732.db2.gz HGIXBSAAQLUMPW-RKDXNWHRSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)C(F)(F)F ZINC000488269777 287548219 /nfs/dbraw/zinc/54/82/19/287548219.db2.gz ZYJZIYRMXCWIAJ-PRJMDXOYSA-N 0 0 312.288 0.757 10 0 DCAERN Cc1ncc(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)cn1 ZINC000494271182 287579093 /nfs/dbraw/zinc/57/90/93/287579093.db2.gz NYPZCMXBCANDJW-CYBMUJFWSA-N 0 0 314.345 0.616 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](CCO)C1 ZINC000228063439 545945362 /nfs/dbraw/zinc/94/53/62/545945362.db2.gz FUKWDFHBMWQQFI-SECBINFHSA-N 0 0 307.803 0.857 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000228369257 545945471 /nfs/dbraw/zinc/94/54/71/545945471.db2.gz UGCZCRGONODZLO-NWDGAFQWSA-N 0 0 304.412 0.031 10 0 DCAERN NC(=O)[C@H](O)C1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000299748095 229391394 /nfs/dbraw/zinc/39/13/94/229391394.db2.gz FZKXJZTWEHDXHM-CYBMUJFWSA-N 0 0 308.382 0.785 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H]3CCOC3)CC2)n1 ZINC000179171587 261111839 /nfs/dbraw/zinc/11/18/39/261111839.db2.gz APOXZKIYZOTWSC-PWSUYJOCSA-N 0 0 309.370 0.555 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)CCN1CCO ZINC000187259336 261123214 /nfs/dbraw/zinc/12/32/14/261123214.db2.gz VTNMSMITKCZYIE-GFCCVEGCSA-N 0 0 323.368 0.081 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1=O ZINC000188635969 261129726 /nfs/dbraw/zinc/12/97/26/261129726.db2.gz QSFSTEYKKASUMF-AWEZNQCLSA-N 0 0 323.437 0.960 10 0 DCAERN C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@H](CO)O1 ZINC000190831991 261135841 /nfs/dbraw/zinc/13/58/41/261135841.db2.gz CGJUKACXOBJTIB-NXEZZACHSA-N 0 0 303.318 0.145 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)NCCc2nc(C)no2)C1 ZINC000194104744 261144913 /nfs/dbraw/zinc/14/49/13/261144913.db2.gz ABUDQVYBXIQATJ-GFCCVEGCSA-N 0 0 312.370 0.758 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000194283251 261146061 /nfs/dbraw/zinc/14/60/61/261146061.db2.gz BVZJESSSMLBATF-KWQFWETISA-N 0 0 319.390 0.798 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000194353997 261146115 /nfs/dbraw/zinc/14/61/15/261146115.db2.gz DQADROVZMUCLGG-ZDUSSCGKSA-N 0 0 311.386 0.505 10 0 DCAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000194807545 261148310 /nfs/dbraw/zinc/14/83/10/261148310.db2.gz FDHXICLTDNWSLU-SMDDNHRTSA-N 0 0 317.389 0.967 10 0 DCAERN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CNC(=O)C1 ZINC000194878995 261149588 /nfs/dbraw/zinc/14/95/88/261149588.db2.gz DDIFCVXFAWOVDQ-UONOGXRCSA-N 0 0 315.373 0.602 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CC(C)(C)C)C[C@@H](C)O1 ZINC000228580039 261154103 /nfs/dbraw/zinc/15/41/03/261154103.db2.gz IFLNSVNTEKYVKY-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000250092267 261166677 /nfs/dbraw/zinc/16/66/77/261166677.db2.gz QJDSOMHYJXEEAH-MGPQQGTHSA-N 0 0 312.410 0.491 10 0 DCAERN CC(C)(C)OCCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000308568143 261173814 /nfs/dbraw/zinc/17/38/14/261173814.db2.gz AFKRGEGIGRMRMK-UHFFFAOYSA-N 0 0 306.409 0.940 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000354892585 261282945 /nfs/dbraw/zinc/28/29/45/261282945.db2.gz FCYJNFFWTSVFAF-BMFZPTHFSA-N 0 0 318.373 0.832 10 0 DCAERN NC(=O)C1CCC(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000356094900 261390136 /nfs/dbraw/zinc/39/01/36/261390136.db2.gz QGHKUQCRNCGPDI-HCJITBMDSA-N 0 0 317.389 0.988 10 0 DCAERN O=C(c1ccnnc1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000357232128 261518567 /nfs/dbraw/zinc/51/85/67/261518567.db2.gz POVLTKOODRPNAZ-UHFFFAOYSA-N 0 0 303.343 0.906 10 0 DCAERN O=C(Cc1cccc(O)c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000357297555 261525475 /nfs/dbraw/zinc/52/54/75/261525475.db2.gz DGLNLJQYTKTFEL-HNNXBMFYSA-N 0 0 318.373 0.831 10 0 DCAERN CC(=O)NCC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000357709778 261574832 /nfs/dbraw/zinc/57/48/32/261574832.db2.gz GRKTWHSHPBCAOK-UHFFFAOYSA-N 0 0 302.338 0.408 10 0 DCAERN CNS(=O)(=O)c1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000358858528 261707836 /nfs/dbraw/zinc/70/78/36/261707836.db2.gz GUHVJUQRJNXODH-UHFFFAOYSA-N 0 0 319.408 0.347 10 0 DCAERN CCN1C(=O)[C@H]2CN(C(=O)CCc3ccccn3)CCN2C1=O ZINC000360915275 261887953 /nfs/dbraw/zinc/88/79/53/261887953.db2.gz XIFCYJRHBJRDJW-CYBMUJFWSA-N 0 0 316.361 0.509 10 0 DCAERN O=S1(=O)CC[C@@H](N(Cc2ncccn2)C[C@H]2CCCO2)C1 ZINC000361861065 261969567 /nfs/dbraw/zinc/96/95/67/261969567.db2.gz USHKBGKWNVTVGT-CHWSQXEVSA-N 0 0 311.407 0.645 10 0 DCAERN CCOC(=O)CCN(C)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361928978 261978336 /nfs/dbraw/zinc/97/83/36/261978336.db2.gz XWLKULMCLIGNJQ-UHFFFAOYSA-N 0 0 324.381 0.894 10 0 DCAERN COC[C@@](C)(NC(=O)c1ccc(C(N)=O)cn1)C(F)(F)F ZINC000362201409 262008830 /nfs/dbraw/zinc/00/88/30/262008830.db2.gz GMLXQHZYTMCDAM-LLVKDONJSA-N 0 0 305.256 0.878 10 0 DCAERN CC(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000362229046 262012566 /nfs/dbraw/zinc/01/25/66/262012566.db2.gz BDJTZTOLLCQFOR-HONMWMINSA-N 0 0 307.394 0.370 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@@H]2C)cc1 ZINC000362473945 262038749 /nfs/dbraw/zinc/03/87/49/262038749.db2.gz PQVSJGRUZQERLD-NSHDSACASA-N 0 0 312.391 0.846 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncc1 ZINC000362476135 262039451 /nfs/dbraw/zinc/03/94/51/262039451.db2.gz GHEYAQNNXTZFGC-NXEZZACHSA-N 0 0 308.338 0.081 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1csc(N(C)C2CC2)n1 ZINC000362507223 262042555 /nfs/dbraw/zinc/04/25/55/262042555.db2.gz DAEFKPKHYOWYKJ-NWDGAFQWSA-N 0 0 311.407 0.850 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C ZINC000362621164 262053407 /nfs/dbraw/zinc/05/34/07/262053407.db2.gz ZAKBZOQZJFHGDV-JHJVBQTASA-N 0 0 322.427 0.126 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)NCc1ccn(C)n1 ZINC000362778345 262072028 /nfs/dbraw/zinc/07/20/28/262072028.db2.gz AKCUXSHAFOVDEM-CHWSQXEVSA-N 0 0 312.370 0.040 10 0 DCAERN O=C(Cc1cccc(O)c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000363147305 262101009 /nfs/dbraw/zinc/10/10/09/262101009.db2.gz RHCWBMAJUKSQJK-CYBMUJFWSA-N 0 0 303.362 0.951 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363134915 262101424 /nfs/dbraw/zinc/10/14/24/262101424.db2.gz NBULKPWJVQSHNA-TZMCWYRMSA-N 0 0 322.434 0.733 10 0 DCAERN O=C(c1cc(-c2cccnc2)on1)N1CCN2CCOC[C@@H]2C1 ZINC000363811622 262131885 /nfs/dbraw/zinc/13/18/85/262131885.db2.gz CFDBTSULGLFJBC-ZDUSSCGKSA-N 0 0 314.345 0.893 10 0 DCAERN O=C(CN1CCc2ccccc2C1=O)N1CC(F)(F)C[C@@H]1CO ZINC000363812979 262132583 /nfs/dbraw/zinc/13/25/83/262132583.db2.gz DLGWYODAOXRUEB-GFCCVEGCSA-N 0 0 324.327 0.913 10 0 DCAERN NC(=O)Nc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000363867135 262135016 /nfs/dbraw/zinc/13/50/16/262135016.db2.gz KOFYKNNHWCZNKD-ZDUSSCGKSA-N 0 0 304.350 0.334 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N(C)CC(F)(F)F ZINC000374058229 262157331 /nfs/dbraw/zinc/15/73/31/262157331.db2.gz QDGZEBNUUJCLIE-OPRDCNLKSA-N 0 0 307.316 0.606 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000374163075 262157591 /nfs/dbraw/zinc/15/75/91/262157591.db2.gz SBQQDXIYQBZBJE-GFCCVEGCSA-N 0 0 314.411 0.413 10 0 DCAERN COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 ZINC000391356613 262160542 /nfs/dbraw/zinc/16/05/42/262160542.db2.gz BVWWALREKWQQRX-HNNXBMFYSA-N 0 0 319.317 0.215 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@@H]([C@@H](C)O)C2)cc1 ZINC000412090591 262181772 /nfs/dbraw/zinc/18/17/72/262181772.db2.gz PRAYJVLPTVOBIW-IUODEOHRSA-N 0 0 306.362 0.909 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCO[C@H]1C ZINC000355858110 271027713 /nfs/dbraw/zinc/02/77/13/271027713.db2.gz NMYGRIYGMIMWRE-RWMBFGLXSA-N 0 0 318.439 0.874 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)NCc1ccc2cc[nH]c2n1 ZINC000358384919 271051405 /nfs/dbraw/zinc/05/14/05/271051405.db2.gz KLUCTZWLKDWJCA-UHFFFAOYSA-N 0 0 322.328 0.689 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCCCCCS(C)(=O)=O ZINC000358548718 271057550 /nfs/dbraw/zinc/05/75/50/271057550.db2.gz WRBJTEHBQKUQNZ-NSHDSACASA-N 0 0 312.457 0.520 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)Cn2ncc3ccccc32)n1 ZINC000358965603 271083777 /nfs/dbraw/zinc/08/37/77/271083777.db2.gz SQUGOBXZYGNAQP-UHFFFAOYSA-N 0 0 313.321 0.013 10 0 DCAERN COCCCN(C(=O)NC[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000359118960 271096059 /nfs/dbraw/zinc/09/60/59/271096059.db2.gz VRUADQRSJXGCMA-AVGNSLFASA-N 0 0 318.439 0.878 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000359227278 271108403 /nfs/dbraw/zinc/10/84/03/271108403.db2.gz NDKTVJOFXKPHKG-MCIONIFRSA-N 0 0 321.421 0.692 10 0 DCAERN Cc1nc(C(=O)NCc2ccc3cc[nH]c3n2)nn1-c1nc[nH]n1 ZINC000359415183 271116981 /nfs/dbraw/zinc/11/69/81/271116981.db2.gz IUIXLHXZCDINRA-UHFFFAOYSA-N 0 0 323.320 0.500 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NC[C@@H](CO)C2CC2)CCCC1 ZINC000359560635 271126220 /nfs/dbraw/zinc/12/62/20/271126220.db2.gz MHQXFWZIFJUMHF-LBPRGKRZSA-N 0 0 318.439 0.662 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)c2cccc3ncnn32)ccn1 ZINC000359655319 271139411 /nfs/dbraw/zinc/13/94/11/271139411.db2.gz CSHGMGSTVSSPBK-UHFFFAOYSA-N 0 0 310.317 0.500 10 0 DCAERN COC[C@H](O)CN1CCNC(=O)[C@H]1c1c(C)nc2ccccn21 ZINC000361465431 271181514 /nfs/dbraw/zinc/18/15/14/271181514.db2.gz RCFVZJOKWINFEH-IUODEOHRSA-N 0 0 318.377 0.123 10 0 DCAERN CNC(=O)c1cc(O[C@@H]2CCN(C(=O)C3(O)CCC3)C2)ccn1 ZINC000363697508 271200195 /nfs/dbraw/zinc/20/01/95/271200195.db2.gz FHOHXYYTFGBXRP-GFCCVEGCSA-N 0 0 319.361 0.336 10 0 DCAERN C[C@@H]1C[C@H](CO)CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000398715862 271219006 /nfs/dbraw/zinc/21/90/06/271219006.db2.gz QIYCTWVCPFMPRH-VOAKCMCISA-N 0 0 306.428 0.291 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)sc2C1 ZINC000434992914 271551610 /nfs/dbraw/zinc/55/16/10/271551610.db2.gz WDTKDGKVNJLHLJ-YUMQZZPRSA-N 0 0 322.390 0.211 10 0 DCAERN COCC(=O)N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435137380 271553814 /nfs/dbraw/zinc/55/38/14/271553814.db2.gz LDMFWXYDOXLIIW-UHFFFAOYSA-N 0 0 304.350 0.960 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CC(=O)N(C)C3)sc2C1 ZINC000435115265 271554010 /nfs/dbraw/zinc/55/40/10/271554010.db2.gz YJLIIZRULYYKLE-MRVPVSSYSA-N 0 0 322.390 0.465 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)[C@H](C)NC(C)=O)(C(=O)OC)C1(C)C ZINC000440852969 271659574 /nfs/dbraw/zinc/65/95/74/271659574.db2.gz ZDZKKODIJLCISI-ZVWUFJHRSA-N 0 0 314.382 0.374 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)C1 ZINC000442578872 271672033 /nfs/dbraw/zinc/67/20/33/271672033.db2.gz VKGXAOOHSVWDCD-TUAOUCFPSA-N 0 0 310.398 0.354 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2(C(=O)CC)CC2)CC12COC2 ZINC000452219928 271910465 /nfs/dbraw/zinc/91/04/65/271910465.db2.gz JVSHAFXXUGNEIG-NSHDSACASA-N 0 0 309.362 0.784 10 0 DCAERN Cc1cccc(OCCC(=O)NC[C@@H](O)Cn2ccnn2)c1C ZINC000458127045 271943926 /nfs/dbraw/zinc/94/39/26/271943926.db2.gz CSYVJMLOXDHORM-CQSZACIVSA-N 0 0 318.377 0.841 10 0 DCAERN Cc1ccc(F)c(CCNC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000459068884 271985358 /nfs/dbraw/zinc/98/53/58/271985358.db2.gz QWSSICNQJUIGCK-ZDUSSCGKSA-N 0 0 321.356 0.628 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000459843219 272015323 /nfs/dbraw/zinc/01/53/23/272015323.db2.gz XNASMSDLULOLOM-XNJGSVPQSA-N 0 0 321.421 0.620 10 0 DCAERN COC(=O)CCN1CCN(C(=O)N[C@@H](C)[C@H](C)OC)[C@@H](C)C1 ZINC000466488586 272026470 /nfs/dbraw/zinc/02/64/70/272026470.db2.gz LYPPKVOKHOMCPF-AVGNSLFASA-N 0 0 315.414 0.689 10 0 DCAERN COC(=O)CCN1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)[C@@H](C)C1 ZINC000466488588 272026646 /nfs/dbraw/zinc/02/66/46/272026646.db2.gz LYPPKVOKHOMCPF-RWMBFGLXSA-N 0 0 315.414 0.689 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000463819118 272027025 /nfs/dbraw/zinc/02/70/25/272027025.db2.gz QWBLEPAAMUSZPJ-NHCYSSNCSA-N 0 0 304.412 0.277 10 0 DCAERN C[C@H]1[C@H](CO)CCN1CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000488745812 272049401 /nfs/dbraw/zinc/04/94/01/272049401.db2.gz DQOZRSVMYZZMNQ-UWVGGRQHSA-N 0 0 306.322 0.971 10 0 DCAERN CN(C[C@@H]1CC=CCC1)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000489479939 272062641 /nfs/dbraw/zinc/06/26/41/272062641.db2.gz LOGNPNWQFMTDQT-GFCCVEGCSA-N 0 0 315.439 0.876 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)C(F)F)CC2 ZINC000489549442 272063659 /nfs/dbraw/zinc/06/36/59/272063659.db2.gz LLJSOROKSVWCEL-HTQZYQBOSA-N 0 0 303.313 0.081 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC(CC)CC ZINC000491939165 272109751 /nfs/dbraw/zinc/10/97/51/272109751.db2.gz VGKAAJQOAMLHHR-UWVGGRQHSA-N 0 0 301.387 0.931 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCOC2)cn1 ZINC000494296374 272216781 /nfs/dbraw/zinc/21/67/81/272216781.db2.gz TUGIIHNKCDMYHR-LLVKDONJSA-N 0 0 306.366 0.581 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000494389697 272220438 /nfs/dbraw/zinc/22/04/38/272220438.db2.gz XHCJVTKDRHKYJH-ZDUSSCGKSA-N 0 0 311.426 0.565 10 0 DCAERN CCOC(=O)[C@H](CC)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494480057 272223046 /nfs/dbraw/zinc/22/30/46/272223046.db2.gz ZZWOTGSMWSSCQJ-LBPRGKRZSA-N 0 0 300.399 0.897 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NCCCS(N)(=O)=O)cc1 ZINC000495118693 272239398 /nfs/dbraw/zinc/23/93/98/272239398.db2.gz COXSUVOXRWNVCD-UHFFFAOYSA-N 0 0 313.379 0.078 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](CO)[C@H]1C)CC2 ZINC000495194104 272240954 /nfs/dbraw/zinc/24/09/54/272240954.db2.gz RAAJERVZPGSWOM-GRYCIOLGSA-N 0 0 307.398 0.568 10 0 DCAERN Cc1ncc(C[S@](=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000505735018 272393112 /nfs/dbraw/zinc/39/31/12/272393112.db2.gz ZGLLFSCHNZCBHD-JOCHJYFZSA-N 0 0 324.406 0.754 10 0 DCAERN Cc1nc([C@@](C)(NC(=O)CN(C)S(C)(=O)=O)C2CC2)no1 ZINC000514593145 272399970 /nfs/dbraw/zinc/39/99/70/272399970.db2.gz JSFPGXAKTIQXFR-LBPRGKRZSA-N 0 0 316.383 0.011 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000530418135 272740422 /nfs/dbraw/zinc/74/04/22/272740422.db2.gz IVSPQTFPARRDQQ-VXGBXAGGSA-N 0 0 312.391 0.560 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000531842713 272771516 /nfs/dbraw/zinc/77/15/16/272771516.db2.gz HOJYIQYOILXFNI-ZDUSSCGKSA-N 0 0 322.361 0.805 10 0 DCAERN O=C(CCCN1C(=O)CCC1=O)NC[C@H](CO)c1ccccc1 ZINC000532030493 272775756 /nfs/dbraw/zinc/77/57/56/272775756.db2.gz SANMLBCJGHMAMY-CQSZACIVSA-N 0 0 318.373 0.808 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)OC)c1 ZINC000527505558 287695039 /nfs/dbraw/zinc/69/50/39/287695039.db2.gz QCDSMKSFXWVURU-QWRGUYRKSA-N 0 0 321.377 0.914 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCC1CC1 ZINC000531394366 287777138 /nfs/dbraw/zinc/77/71/38/287777138.db2.gz PKFZYOHQXWTNGQ-LBPRGKRZSA-N 0 0 303.428 0.900 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2cc(F)ccc2F)CCC1=O ZINC000120510384 276978076 /nfs/dbraw/zinc/97/80/76/276978076.db2.gz XLEVGTWZKUTLFH-VIFPVBQESA-N 0 0 311.288 0.640 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(C)c2cc(F)ccc21 ZINC000189158344 277018888 /nfs/dbraw/zinc/01/88/88/277018888.db2.gz IGAMLGIZZVAEAM-IUODEOHRSA-N 0 0 321.352 0.590 10 0 DCAERN CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 ZINC000330567580 277060348 /nfs/dbraw/zinc/06/03/48/277060348.db2.gz LDVLQMXUDFZODD-WDEREUQCSA-N 0 0 318.299 0.941 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408457569 277225210 /nfs/dbraw/zinc/22/52/10/277225210.db2.gz POOOILCXJXBXDT-BFHYXJOUSA-N 0 0 320.455 0.536 10 0 DCAERN Cc1ccc(CCNC(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000542742725 287945270 /nfs/dbraw/zinc/94/52/70/287945270.db2.gz CDNJJCZKBCHIKQ-OAHLLOKOSA-N 0 0 304.394 0.659 10 0 DCAERN CN1CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1=O ZINC000543584386 287960197 /nfs/dbraw/zinc/96/01/97/287960197.db2.gz MUYZKGHKNVOAHD-UHFFFAOYSA-N 0 0 303.322 0.480 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000543760395 287966798 /nfs/dbraw/zinc/96/67/98/287966798.db2.gz DCFWNDZMZKBBHF-WCQYABFASA-N 0 0 323.343 0.616 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000068101110 277772402 /nfs/dbraw/zinc/77/24/02/277772402.db2.gz XRPLXYUMPAQCRT-ZYHUDNBSSA-N 0 0 314.349 0.388 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC(=O)N1C ZINC000282100369 277845358 /nfs/dbraw/zinc/84/53/58/277845358.db2.gz DUCQRMDYDRJFAH-SKDRFNHKSA-N 0 0 319.336 0.941 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329502301 277945629 /nfs/dbraw/zinc/94/56/29/277945629.db2.gz YTEBROAYTKLRTA-RBSFLKMASA-N 0 0 324.421 0.897 10 0 DCAERN O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cccc3ncnn32)C1 ZINC000545500940 288001662 /nfs/dbraw/zinc/00/16/62/288001662.db2.gz VRKYYDIWUCQCLC-NSHDSACASA-N 0 0 314.349 0.405 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCS[C@H](C)CC2)C1 ZINC000408056843 278018002 /nfs/dbraw/zinc/01/80/02/278018002.db2.gz MEWNGRJKAQAGBM-RISCZKNCSA-N 0 0 300.424 0.714 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)c1cnn3ccncc13)CCO2 ZINC000408167475 278059790 /nfs/dbraw/zinc/05/97/90/278059790.db2.gz XUWULWYWNSKVGE-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1 ZINC000191476074 278091519 /nfs/dbraw/zinc/09/15/19/278091519.db2.gz BNLDPYGOJIMFKO-GJZGRUSLSA-N 0 0 321.421 0.762 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000546024877 288012809 /nfs/dbraw/zinc/01/28/09/288012809.db2.gz HYVYROVPPLHJCX-WOPDTQHZSA-N 0 0 324.468 0.661 10 0 DCAERN O=C(CCCN1C(=O)CCC1=O)Nc1nnc(C2CCC2)[nH]1 ZINC000546150637 288016643 /nfs/dbraw/zinc/01/66/43/288016643.db2.gz FIJDCLNIWYYEED-UHFFFAOYSA-N 0 0 305.338 0.940 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000546731842 288028721 /nfs/dbraw/zinc/02/87/21/288028721.db2.gz ZEBIBQNXFDXKMA-LLVKDONJSA-N 0 0 301.412 0.270 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000173131599 278632366 /nfs/dbraw/zinc/63/23/66/278632366.db2.gz XJGBPDWQLHZMSG-GHMZBOCLSA-N 0 0 304.412 0.484 10 0 DCAERN CC(C)C(=O)N1CCCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000184418673 278681850 /nfs/dbraw/zinc/68/18/50/278681850.db2.gz BSPUILZJZTWCND-STQMWFEESA-N 0 0 318.439 0.684 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC000547674981 288067525 /nfs/dbraw/zinc/06/75/25/288067525.db2.gz LYTGNPZMORDIKN-CHWSQXEVSA-N 0 0 319.409 0.898 10 0 DCAERN O=C(CNC(=O)C1CC1)NCc1cccc(N2CCOCC2)n1 ZINC000547846156 288084531 /nfs/dbraw/zinc/08/45/31/288084531.db2.gz JESWGHSJFSCMLG-UHFFFAOYSA-N 0 0 318.377 0.061 10 0 DCAERN Cc1ccc2oc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)cc2n1 ZINC000285660861 278905527 /nfs/dbraw/zinc/90/55/27/278905527.db2.gz XTJCGNZMQUNDLX-RNCFNFMXSA-N 0 0 303.318 0.851 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000407999715 288093481 /nfs/dbraw/zinc/09/34/81/288093481.db2.gz YQXMQYBOVZEDKM-AOOOYVTPSA-N 0 0 300.380 0.848 10 0 DCAERN CCn1cc(CN(C)C(=O)[C@](C)(O)Cn2ccccc2=O)cn1 ZINC000548061603 288108125 /nfs/dbraw/zinc/10/81/25/288108125.db2.gz WWUWYWBDEHTLAI-MRXNPFEDSA-N 0 0 318.377 0.474 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N1CCOCC1 ZINC000187065036 279160458 /nfs/dbraw/zinc/16/04/58/279160458.db2.gz AWNFKGUZILQZJF-ZIAGYGMSSA-N 0 0 311.426 0.470 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCSC[C@H]1CCO ZINC000548136125 288115378 /nfs/dbraw/zinc/11/53/78/288115378.db2.gz UYUJGJAHQHESHO-GHMZBOCLSA-N 0 0 307.437 0.280 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000172502317 279364004 /nfs/dbraw/zinc/36/40/04/279364004.db2.gz JFCNXFJNKIACMX-LLVKDONJSA-N 0 0 300.318 0.999 10 0 DCAERN CNC(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)nn1 ZINC000548285940 288128699 /nfs/dbraw/zinc/12/86/99/288128699.db2.gz XFIXXWOSHHHUIN-UHFFFAOYSA-N 0 0 303.366 0.331 10 0 DCAERN Cn1cc(OCC(=O)NC[C@@H](O)COc2ccccc2)cn1 ZINC000548870292 288183203 /nfs/dbraw/zinc/18/32/03/288183203.db2.gz ATTOFQQWHBUQBG-GFCCVEGCSA-N 0 0 305.334 0.355 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1cccc2c1OCCO2 ZINC000285311686 279992465 /nfs/dbraw/zinc/99/24/65/279992465.db2.gz TUHUICJHXNISDA-NWDGAFQWSA-N 0 0 316.317 0.419 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248810 280146626 /nfs/dbraw/zinc/14/66/26/280146626.db2.gz XDVMUHZYCHWHKG-PBHICJAKSA-N 0 0 316.357 0.955 10 0 DCAERN O=C1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CCN1 ZINC000103152988 280255221 /nfs/dbraw/zinc/25/52/21/280255221.db2.gz XEVRPQXXWRSKLN-UHFFFAOYSA-N 0 0 306.746 0.990 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)no1 ZINC000096092089 280335023 /nfs/dbraw/zinc/33/50/23/280335023.db2.gz UNIFWUYMZVJHBK-OLZOCXBDSA-N 0 0 315.333 0.737 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000294164397 280343078 /nfs/dbraw/zinc/34/30/78/280343078.db2.gz PGZYNBSJUBFIQA-UWVGGRQHSA-N 0 0 316.361 0.421 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cnc3n2CCCC3)[C@@H](C)C1 ZINC000551313098 288227262 /nfs/dbraw/zinc/22/72/62/288227262.db2.gz DKKUKKMRBWVSLJ-LBPRGKRZSA-N 0 0 319.409 0.982 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H](C)C(=O)N(C)C)CC2 ZINC000181482372 280732115 /nfs/dbraw/zinc/73/21/15/280732115.db2.gz CZFGCFUFUVPIDU-MNOVXSKESA-N 0 0 322.413 0.492 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N1CCC[C@@]1(C)CO)c1ccccc1 ZINC000552887218 288281814 /nfs/dbraw/zinc/28/18/14/288281814.db2.gz LBNOQYPMKILIGU-PBHICJAKSA-N 0 0 320.389 0.864 10 0 DCAERN CC[C@H]1CN(CCCS(=O)(=O)C(C)C)CCN1C[C@H](C)O ZINC000246651018 288287909 /nfs/dbraw/zinc/28/79/09/288287909.db2.gz PIJMZGYHQGZNIC-GJZGRUSLSA-N 0 0 320.499 0.977 10 0 DCAERN Cn1cc(OCC(=O)N2CCOc3cc(O)ccc3C2)cn1 ZINC000553153516 288288595 /nfs/dbraw/zinc/28/85/95/288288595.db2.gz WAOSHTQSJTYJKV-UHFFFAOYSA-N 0 0 303.318 0.926 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000553861259 288308725 /nfs/dbraw/zinc/30/87/25/288308725.db2.gz YHKBPQFTVWHOOK-NSHDSACASA-N 0 0 315.395 0.833 10 0 DCAERN CC[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H](C)S1(=O)=O ZINC000553797186 288307341 /nfs/dbraw/zinc/30/73/41/288307341.db2.gz CSNFLOZKYMPMBI-PWSUYJOCSA-N 0 0 315.395 0.223 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000554590785 288331752 /nfs/dbraw/zinc/33/17/52/288331752.db2.gz CXROSAGWWGRDPR-UHFFFAOYSA-N 0 0 311.349 0.727 10 0 DCAERN CN(C(=O)[C@H]1C[C@]12CCOc1ccccc12)[C@@H]1COC[C@H]1O ZINC000329416172 281865286 /nfs/dbraw/zinc/86/52/86/281865286.db2.gz ZBVOOMXRDOWKST-WBOJAVRRSA-N 0 0 303.358 0.945 10 0 DCAERN O=C(NCCn1cncn1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000558895732 288462295 /nfs/dbraw/zinc/46/22/95/288462295.db2.gz OOBSVQLJRFWRDE-OLZOCXBDSA-N 0 0 323.397 0.145 10 0 DCAERN O=C(NCc1cccc(N2CCOCC2)n1)c1cccc(=O)[nH]1 ZINC000559028625 288464430 /nfs/dbraw/zinc/46/44/30/288464430.db2.gz ZMWHAICHOQOKJV-UHFFFAOYSA-N 0 0 314.345 0.949 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000559764447 288479398 /nfs/dbraw/zinc/47/93/98/288479398.db2.gz FSVHCUOUIQGMSW-STFLBKPXSA-N 0 0 322.390 0.498 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@H](C)S(C)(=O)=O)no1 ZINC000562522760 288581880 /nfs/dbraw/zinc/58/18/80/288581880.db2.gz OCXSGCDGCURVRO-QMMMGPOBSA-N 0 0 318.399 0.599 10 0 DCAERN C[C@]1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCCO1 ZINC000562863121 288604894 /nfs/dbraw/zinc/60/48/94/288604894.db2.gz WKGZYXKJJXGHSW-OAHLLOKOSA-N 0 0 302.334 0.958 10 0 DCAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058027 288655570 /nfs/dbraw/zinc/65/55/70/288655570.db2.gz DTGCNJUMMJFRHX-CULMDFNYSA-N 0 0 323.393 0.374 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)CCO1 ZINC000275643972 288732821 /nfs/dbraw/zinc/73/28/21/288732821.db2.gz NVWLCRAKZZUNEG-MCIONIFRSA-N 0 0 321.425 0.986 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCC[C@@]1(C)CO ZINC000564837960 288774781 /nfs/dbraw/zinc/77/47/81/288774781.db2.gz QHNCTRSNNIUMAV-HNNXBMFYSA-N 0 0 308.382 0.855 10 0 DCAERN CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333240087 289027805 /nfs/dbraw/zinc/02/78/05/289027805.db2.gz ZSNKJTZQSWEQPR-KXNHARMFSA-N 0 0 318.464 0.968 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1=O ZINC000189819426 289932414 /nfs/dbraw/zinc/93/24/14/289932414.db2.gz BQMGLOUGIHFOSO-DTWKUNHWSA-N 0 0 321.299 0.134 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000190815517 290065587 /nfs/dbraw/zinc/06/55/87/290065587.db2.gz KFGZGCODBFJDFI-NSHDSACASA-N 0 0 309.341 0.907 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3ccccc3S(C)(=O)=O)C[C@@H]21 ZINC000152885075 290097083 /nfs/dbraw/zinc/09/70/83/290097083.db2.gz ABJCAGCOBTUCDH-QWHCGFSZSA-N 0 0 324.402 0.245 10 0 DCAERN C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)CCS1(=O)=O ZINC000120860670 296971635 /nfs/dbraw/zinc/97/16/35/296971635.db2.gz FEYACFKVOLPRSD-SECBINFHSA-N 0 0 314.388 0.254 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc2nccc(C)n2n1 ZINC000081586819 293512316 /nfs/dbraw/zinc/51/23/16/293512316.db2.gz MBJWQKOKIGVJTJ-JTQLQIEISA-N 0 0 312.337 0.598 10 0 DCAERN Cc1nccnc1N1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000374143010 293658883 /nfs/dbraw/zinc/65/88/83/293658883.db2.gz LSLYLXMTMRVYHZ-UHFFFAOYSA-N 0 0 324.450 0.732 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)c2cn(C(C)(C)C)nn2)n1 ZINC000408042540 293967365 /nfs/dbraw/zinc/96/73/65/293967365.db2.gz SFLIYFPWAADENY-NSHDSACASA-N 0 0 320.353 0.938 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN(C3CC3)CC2)C[C@@H](C)O1 ZINC000126360761 297050928 /nfs/dbraw/zinc/05/09/28/297050928.db2.gz QOICZCJJMRBYLG-VXGBXAGGSA-N 0 0 303.428 0.120 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1(C)C ZINC000408106946 294035075 /nfs/dbraw/zinc/03/50/75/294035075.db2.gz MFPBXQVMWXGIMM-NJMOYASZSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)CC(=O)N1C ZINC000407966522 300113191 /nfs/dbraw/zinc/11/31/91/300113191.db2.gz BBIFZFGURJHPQZ-JTQLQIEISA-N 0 0 302.396 0.033 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC2CCOCC2)CCN1C ZINC000408301137 294419732 /nfs/dbraw/zinc/41/97/32/294419732.db2.gz OOJWICUDZBINDN-ZDUSSCGKSA-N 0 0 307.398 0.597 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Br)s1 ZINC000091784250 295120154 /nfs/dbraw/zinc/12/01/54/295120154.db2.gz ONGOFTBWNPMEKX-LURJTMIESA-N 0 0 319.180 0.837 10 0 DCAERN O=C(C1=COCCO1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164621495 295428117 /nfs/dbraw/zinc/42/81/17/295428117.db2.gz YVXWDKVKIMJETM-AAEUAGOBSA-N 0 0 306.362 0.877 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000165783227 295503198 /nfs/dbraw/zinc/50/31/98/295503198.db2.gz IUTHARAQVNAXDI-DGCLKSJQSA-N 0 0 304.412 0.368 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)CC(=O)N1 ZINC000408205117 297327828 /nfs/dbraw/zinc/32/78/28/297327828.db2.gz XJNFDEIDUPXZDB-HJGDQZAQSA-N 0 0 308.300 0.815 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000189770150 297660279 /nfs/dbraw/zinc/66/02/79/297660279.db2.gz XUHMKXSWHJDSFC-XHDPSFHLSA-N 0 0 304.346 0.906 10 0 DCAERN C[C@H](C(=O)N1CCCCCC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329156970 298017254 /nfs/dbraw/zinc/01/72/54/298017254.db2.gz CYCPAWMPOKAZAO-HZSPNIEDSA-N 0 0 314.451 0.896 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O)N1CCOCC1 ZINC000329525671 298062297 /nfs/dbraw/zinc/06/22/97/298062297.db2.gz RCOJLFILRYMOMQ-KFWWJZLASA-N 0 0 324.421 0.694 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCCCCC1 ZINC000042747541 300057017 /nfs/dbraw/zinc/05/70/17/300057017.db2.gz KHKPNCXRITUSPS-RYUDHWBXSA-N 0 0 303.428 0.693 10 0 DCAERN Cc1oc(C(=O)N2[C@H](C)COC[C@H]2C)cc1S(N)(=O)=O ZINC000268029494 302868527 /nfs/dbraw/zinc/86/85/27/302868527.db2.gz LWKMBTRAXOXUSP-HTQZYQBOSA-N 0 0 302.352 0.485 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000408242565 302984100 /nfs/dbraw/zinc/98/41/00/302984100.db2.gz VURWWZNTTSMSPT-CYBMUJFWSA-N 0 0 302.334 0.333 10 0 DCAERN Cn1ccnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1=O ZINC000248581340 302986257 /nfs/dbraw/zinc/98/62/57/302986257.db2.gz FJEQATSLMVSNFX-HBNTYKKESA-N 0 0 304.350 0.859 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000153194900 303290656 /nfs/dbraw/zinc/29/06/56/303290656.db2.gz VODRHVIHGYIACD-RTXFEEFZSA-N 0 0 322.409 0.483 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408041844 303312266 /nfs/dbraw/zinc/31/22/66/303312266.db2.gz FCFBVHFAQXBEFY-VOAKCMCISA-N 0 0 313.373 0.054 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccoc1Br ZINC000193324281 303334301 /nfs/dbraw/zinc/33/43/01/303334301.db2.gz RKERFLLNBPSGAC-SSDOTTSWSA-N 0 0 303.112 0.368 10 0 DCAERN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)N1CCOCC1 ZINC000333467418 303821192 /nfs/dbraw/zinc/82/11/92/303821192.db2.gz HRLYOVQXIHLQQB-AWEZNQCLSA-N 0 0 312.410 0.986 10 0 DCAERN Cc1cc(CCNC(=O)N2CCN(C(=O)N(C)C)CC2)on1 ZINC000570647658 332791705 /nfs/dbraw/zinc/79/17/05/332791705.db2.gz ICBMBNPBNSCGDK-UHFFFAOYSA-N 0 0 309.370 0.534 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NCC3(C)COC3)[C@H]2C1 ZINC000570824477 332823802 /nfs/dbraw/zinc/82/38/02/332823802.db2.gz YZLAGAVYNKGERW-MELADBBJSA-N 0 0 309.410 0.969 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CCCCN1CCOCC1 ZINC000170693431 332866799 /nfs/dbraw/zinc/86/67/99/332866799.db2.gz IRCSWVDLEPWEFC-UHFFFAOYSA-N 0 0 313.442 0.862 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000170705310 332868929 /nfs/dbraw/zinc/86/89/29/332868929.db2.gz DQAPHJAAKKBPMJ-KOLCDFICSA-N 0 0 304.350 0.903 10 0 DCAERN CO[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332794196 332872656 /nfs/dbraw/zinc/87/26/56/332872656.db2.gz OTVDESAGYLBZIY-USZNOCQGSA-N 0 0 309.370 0.331 10 0 DCAERN Cc1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)n1 ZINC000186677887 332942572 /nfs/dbraw/zinc/94/25/72/332942572.db2.gz QRBJOMHPLFPIGE-UHFFFAOYSA-N 0 0 316.405 0.621 10 0 DCAERN CC(C)CCn1ccc(NC(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC000183234393 333183822 /nfs/dbraw/zinc/18/38/22/333183822.db2.gz YCVXRBDRSNONAB-JTQLQIEISA-N 0 0 307.354 0.856 10 0 DCAERN O=C(NC1(CO)CC1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000582256859 336396741 /nfs/dbraw/zinc/39/67/41/336396741.db2.gz POROKBHGYSJSPI-CYBMUJFWSA-N 0 0 303.362 0.575 10 0 DCAERN NNc1nc2ccc(I)cc2c(=O)n1N ZINC000584630966 337376830 /nfs/dbraw/zinc/37/68/30/337376830.db2.gz VOTYJVHFSATOKO-UHFFFAOYSA-N 0 0 317.090 0.001 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1 ZINC000172438106 341798990 /nfs/dbraw/zinc/79/89/90/341798990.db2.gz ILAWNCFMWGPZOW-VHSXEESVSA-N 0 0 309.391 0.638 10 0 DCAERN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000577246383 341899907 /nfs/dbraw/zinc/89/99/07/341899907.db2.gz BYIBRZCLOGYGFE-KBPBESRZSA-N 0 0 322.405 0.842 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000176876067 341903412 /nfs/dbraw/zinc/90/34/12/341903412.db2.gz FFGKEQAHKNJLHW-NSHDSACASA-N 0 0 318.420 0.587 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000577499829 341913183 /nfs/dbraw/zinc/91/31/83/341913183.db2.gz FNKAOXPNIWBWKG-LLVKDONJSA-N 0 0 323.418 0.791 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1 ZINC000577702649 341930207 /nfs/dbraw/zinc/93/02/07/341930207.db2.gz ZXZBSJVJVPNKDP-SNVBAGLBSA-N 0 0 323.328 0.079 10 0 DCAERN C[C@H](CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[S@](C)=O ZINC000124016942 533942633 /nfs/dbraw/zinc/94/26/33/533942633.db2.gz IMADSLVRZBSOIQ-QPSSLKIMSA-N 0 0 310.485 0.956 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2ccccc2F)c(=O)n(C)c1=O ZINC000156646106 518480310 /nfs/dbraw/zinc/48/03/10/518480310.db2.gz WFCNWBGLMIHTNC-UHFFFAOYSA-N 0 0 319.292 0.527 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187295863 534425184 /nfs/dbraw/zinc/42/51/84/534425184.db2.gz FHFPRAZAMCSNCZ-VIFPVBQESA-N 0 0 301.774 0.704 10 0 DCAERN CC(=O)NC1CN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000191479058 519647436 /nfs/dbraw/zinc/64/74/36/519647436.db2.gz AXLWSESVCMMRHA-UHFFFAOYSA-N 0 0 314.345 0.245 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)C1 ZINC000190495608 519648435 /nfs/dbraw/zinc/64/84/35/519648435.db2.gz GWOMRRMWIDBLQL-ZDUSSCGKSA-N 0 0 319.361 0.621 10 0 DCAERN CC(=O)NCCNC(=O)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187287025 519663783 /nfs/dbraw/zinc/66/37/83/519663783.db2.gz BODLWBXLBLTQHE-UHFFFAOYSA-N 0 0 313.304 0.989 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)C[S@](=O)C2CCCCC2)C1 ZINC000157149420 534448734 /nfs/dbraw/zinc/44/87/34/534448734.db2.gz LQQYUWJPBSOKCA-PRWKNARSSA-N 0 0 300.424 0.792 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)no1 ZINC000270678968 519831702 /nfs/dbraw/zinc/83/17/02/519831702.db2.gz CEQJMNMTKSDCMK-SECBINFHSA-N 0 0 301.368 0.562 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)CC2 ZINC000154776858 519871216 /nfs/dbraw/zinc/87/12/16/519871216.db2.gz AZEWRVHZXUIYOY-QWRGUYRKSA-N 0 0 306.366 0.786 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCc1ccnn1C)CC2 ZINC000156623923 519871536 /nfs/dbraw/zinc/87/15/36/519871536.db2.gz ZWLFLAARDZIVPQ-NSHDSACASA-N 0 0 317.397 0.949 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)C(N)=O)CC2 ZINC000156959740 519871717 /nfs/dbraw/zinc/87/17/17/519871717.db2.gz SRRSCLKOLUTXFP-SNVBAGLBSA-N 0 0 322.413 0.527 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1C ZINC000117368516 519922805 /nfs/dbraw/zinc/92/28/05/519922805.db2.gz IDTGUDFDXVGJSO-LBPRGKRZSA-N 0 0 316.427 0.151 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1ccnn1C)CC2 ZINC000161973930 520440545 /nfs/dbraw/zinc/44/05/45/520440545.db2.gz WWZNCUWGHAXBNW-UONOGXRCSA-N 0 0 322.409 0.882 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ccc3nnc(CC)n3n2)CC1 ZINC000266752059 520473756 /nfs/dbraw/zinc/47/37/56/520473756.db2.gz SUXIRRVUVMFPQD-UHFFFAOYSA-N 0 0 319.365 0.581 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000187974412 534516808 /nfs/dbraw/zinc/51/68/08/534516808.db2.gz KKHNCARVNVPKEB-CYBMUJFWSA-N 0 0 317.345 0.781 10 0 DCAERN CCC[C@H](C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1)[NH+](C)C ZINC000188330825 520987565 /nfs/dbraw/zinc/98/75/65/520987565.db2.gz PSPGQVJRRUXYLR-GFCCVEGCSA-N 0 0 304.354 0.624 10 0 DCAERN CCOc1ccccc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116832851 521454515 /nfs/dbraw/zinc/45/45/15/521454515.db2.gz JQLDIYCUPJCVOO-LLVKDONJSA-N 0 0 312.391 0.849 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC000246559210 521619121 /nfs/dbraw/zinc/61/91/21/521619121.db2.gz FFKNJTNKLAFXGE-VXGBXAGGSA-N 0 0 305.444 0.545 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000129460265 521732723 /nfs/dbraw/zinc/73/27/23/521732723.db2.gz GOFDEYKIDVGDJR-JTQLQIEISA-N 0 0 308.386 0.054 10 0 DCAERN COCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128403444 521761519 /nfs/dbraw/zinc/76/15/19/521761519.db2.gz DMCMXCGZLWVIDK-LBPRGKRZSA-N 0 0 314.411 0.353 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@]2(C)CCCO2)cc1 ZINC000156144623 521859806 /nfs/dbraw/zinc/85/98/06/521859806.db2.gz OOSAIJVZAWNALS-AWEZNQCLSA-N 0 0 312.391 0.894 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000156144499 521859921 /nfs/dbraw/zinc/85/99/21/521859921.db2.gz OOSAIJVZAWNALS-CQSZACIVSA-N 0 0 312.391 0.894 10 0 DCAERN COC(=O)c1ccc(N2CCO[C@@](C)(c3cnn(C)c3)C2)nn1 ZINC000268410498 522081260 /nfs/dbraw/zinc/08/12/60/522081260.db2.gz SUWWSGUDZCZKQX-OAHLLOKOSA-N 0 0 317.349 0.749 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)n1 ZINC000189784778 522123789 /nfs/dbraw/zinc/12/37/89/522123789.db2.gz YUUDNKXLVLBGQF-ZDUSSCGKSA-N 0 0 319.365 0.267 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188970913 522203097 /nfs/dbraw/zinc/20/30/97/522203097.db2.gz LDUXCTXLZZJJHS-ZJUUUORDSA-N 0 0 318.345 0.734 10 0 DCAERN O=C(NC[C@H](CO)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000190229029 534620240 /nfs/dbraw/zinc/62/02/40/534620240.db2.gz PSNJXFKQXHAEKS-GFCCVEGCSA-N 0 0 324.340 0.824 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000155636873 522520265 /nfs/dbraw/zinc/52/02/65/522520265.db2.gz OYSROYPKRLCOKJ-QGZVFWFLSA-N 0 0 322.405 0.937 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000128040502 522716825 /nfs/dbraw/zinc/71/68/25/522716825.db2.gz VAUJLTJUZNEJEO-CHWSQXEVSA-N 0 0 324.377 0.799 10 0 DCAERN CN(CCOCC1CC1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000176705865 522891325 /nfs/dbraw/zinc/89/13/25/522891325.db2.gz YJLCVIITWVNUGE-UHFFFAOYSA-N 0 0 312.391 0.833 10 0 DCAERN COc1cc(S(=O)(=O)N[C@H](C)C[S@](C)=O)ccc1F ZINC000190857393 522897670 /nfs/dbraw/zinc/89/76/70/522897670.db2.gz IVRURJWPFJLRAL-CVJBHZAOSA-N 0 0 309.384 0.880 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C)nc2)CC1 ZINC000189453730 522996920 /nfs/dbraw/zinc/99/69/20/522996920.db2.gz VNGHLYFMXMDCKP-CQSZACIVSA-N 0 0 320.393 0.244 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccco2)cc1 ZINC000188553497 534701422 /nfs/dbraw/zinc/70/14/22/534701422.db2.gz JPNXKYSPWLOSAA-UHFFFAOYSA-N 0 0 316.360 0.406 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)cn1 ZINC000191718901 523464004 /nfs/dbraw/zinc/46/40/04/523464004.db2.gz UUECAELVWAAFMO-AWEZNQCLSA-N 0 0 303.366 0.779 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)NCCCOC)CCO2)cn1 ZINC000190810052 523466405 /nfs/dbraw/zinc/46/64/05/523466405.db2.gz DFWACTLSTVKVHO-AWEZNQCLSA-N 0 0 310.398 0.429 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CC(=O)N(CC)C3)CCO2)cn1 ZINC000191730345 523480598 /nfs/dbraw/zinc/48/05/98/523480598.db2.gz KXIPLEILXBHNNQ-GXTWGEPZSA-N 0 0 320.393 0.671 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000188729541 523589630 /nfs/dbraw/zinc/58/96/30/523589630.db2.gz VRJMKEXIPVCZLP-CQSZACIVSA-N 0 0 306.362 0.941 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCN(C2CC2)CC1 ZINC000299376471 534723967 /nfs/dbraw/zinc/72/39/67/534723967.db2.gz SPTDASFXXXDXNY-UHFFFAOYSA-N 0 0 301.346 0.938 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H](C)[C@H]3CN(C)CCO3)sc2n1 ZINC000154811332 523743154 /nfs/dbraw/zinc/74/31/54/523743154.db2.gz LVVKNCJVMOZLBX-GXSJLCMTSA-N 0 0 323.422 0.844 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000153419629 523801351 /nfs/dbraw/zinc/80/13/51/523801351.db2.gz ZHPFLXNEXBTBKP-GMTAPVOTSA-N 0 0 307.325 0.725 10 0 DCAERN CN1CCN([C@@H](C(=O)N2CC(CO)C2)c2ccccc2)CC1 ZINC000159109910 523916871 /nfs/dbraw/zinc/91/68/71/523916871.db2.gz CTYITXADHJSQIE-MRXNPFEDSA-N 0 0 303.406 0.426 10 0 DCAERN CN1N=C(C(=O)N2CCC[C@@H](Cn3cncn3)C2)CCC1=O ZINC000127799679 524029116 /nfs/dbraw/zinc/02/91/16/524029116.db2.gz CUGNSRFDUUIVPB-LLVKDONJSA-N 0 0 304.354 0.125 10 0 DCAERN CN1N=C(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CCC1=O ZINC000187653734 524030102 /nfs/dbraw/zinc/03/01/02/524030102.db2.gz AJAJIIPYZGEKEG-RYUDHWBXSA-N 0 0 321.402 0.891 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000364209601 524260064 /nfs/dbraw/zinc/26/00/64/524260064.db2.gz ZXHFZBUBIOFCNY-LLVKDONJSA-N 0 0 315.439 0.706 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000364216925 524261102 /nfs/dbraw/zinc/26/11/02/524261102.db2.gz MYZJMHJHWWEHSQ-NEPJUHHUSA-N 0 0 316.427 0.205 10 0 DCAERN COc1ccc(F)cc1CNC(=O)CN(C)S(C)(=O)=O ZINC000189393040 524310639 /nfs/dbraw/zinc/31/06/39/524310639.db2.gz SAPCYEJRAHUQHR-UHFFFAOYSA-N 0 0 304.343 0.342 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O ZINC000188673083 524313054 /nfs/dbraw/zinc/31/30/54/524313054.db2.gz POROXBXCQXYHDH-XPTSAGLGSA-N 0 0 324.352 0.726 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCN(C(=O)CO)CC1 ZINC000156188352 524327541 /nfs/dbraw/zinc/32/75/41/524327541.db2.gz XWDUJLMVSRIFRV-NSHDSACASA-N 0 0 321.381 0.523 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000188163362 524468265 /nfs/dbraw/zinc/46/82/65/524468265.db2.gz DAUMKGRRUMGLKY-HUUCEWRRSA-N 0 0 319.405 0.818 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1C ZINC000122379128 524571012 /nfs/dbraw/zinc/57/10/12/524571012.db2.gz JUUWZWWPFYRBIK-NSHDSACASA-N 0 0 324.402 0.887 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000266682506 524774403 /nfs/dbraw/zinc/77/44/03/524774403.db2.gz RLDZHPBDGAYSDR-OLZOCXBDSA-N 0 0 303.370 0.910 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H](C(N)=O)O1 ZINC000157361169 524860582 /nfs/dbraw/zinc/86/05/82/524860582.db2.gz OKZSUBSXCNNGSC-SKDRFNHKSA-N 0 0 316.317 0.451 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(NC(C)=O)C2)c(C)c1F ZINC000188556875 525018006 /nfs/dbraw/zinc/01/80/06/525018006.db2.gz MXQIJCPBORLKMT-UHFFFAOYSA-N 0 0 316.354 0.652 10 0 DCAERN COc1ncc(NC(=O)CCc2ccnn2C)cc1C(N)=O ZINC000129776070 525024321 /nfs/dbraw/zinc/02/43/21/525024321.db2.gz ZWAIQZLPOUCTIR-UHFFFAOYSA-N 0 0 303.322 0.494 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C3(O)CCC3)C2=O)n(C)n1 ZINC000187485733 525066539 /nfs/dbraw/zinc/06/65/39/525066539.db2.gz IIPWWYWOWVNNKE-LLVKDONJSA-N 0 0 306.366 0.255 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000113298646 525072580 /nfs/dbraw/zinc/07/25/80/525072580.db2.gz BYYWDUFBQBARCL-LLVKDONJSA-N 0 0 322.390 0.888 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)s1 ZINC000131462213 525411070 /nfs/dbraw/zinc/41/10/70/525411070.db2.gz OEPKWJSSSFMRNO-ZJUUUORDSA-N 0 0 318.420 0.676 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000114608629 525425745 /nfs/dbraw/zinc/42/57/45/525425745.db2.gz AJEAACHBZGFWCP-SKDRFNHKSA-N 0 0 310.375 0.862 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1C(C)(C)C ZINC000157444332 525596965 /nfs/dbraw/zinc/59/69/65/525596965.db2.gz CGUAWVHHCPVENM-SKDRFNHKSA-N 0 0 308.382 0.661 10 0 DCAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1cccc2nonc21 ZINC000268783799 534871473 /nfs/dbraw/zinc/87/14/73/534871473.db2.gz JHXWZYAVMSAADJ-VIFPVBQESA-N 0 0 320.334 0.628 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000364380206 525737898 /nfs/dbraw/zinc/73/78/98/525737898.db2.gz WABIRFAWUHPLPE-JQWIXIFHSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000364252280 525745502 /nfs/dbraw/zinc/74/55/02/525745502.db2.gz VKUPKGYOVHQZRQ-HWPZZCPQSA-N 0 0 323.393 0.326 10 0 DCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000249971477 525913705 /nfs/dbraw/zinc/91/37/05/525913705.db2.gz KLNPWTIKPJDFAD-QLFBSQMISA-N 0 0 314.426 0.486 10 0 DCAERN C[C@H](C(=O)N(C)Cc1ccccc1)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246493087 525939855 /nfs/dbraw/zinc/93/98/55/525939855.db2.gz NSGBJVKNMKLTNM-NFAWXSAZSA-N 0 0 319.405 0.608 10 0 DCAERN C[C@@H](c1cccnc1)N(C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245545485 526120535 /nfs/dbraw/zinc/12/05/35/526120535.db2.gz VNDNWSWYVFZGGD-GXTWGEPZSA-N 0 0 304.394 0.798 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000188833833 526201843 /nfs/dbraw/zinc/20/18/43/526201843.db2.gz RBYDIFPWBUVAHT-SNVBAGLBSA-N 0 0 301.346 0.461 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@@H](O)C1 ZINC000104244936 526658942 /nfs/dbraw/zinc/65/89/42/526658942.db2.gz NKQFNTCEUFZLRN-SNVBAGLBSA-N 0 0 307.741 0.913 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCN(C)CC(F)(F)F ZINC000330727298 526678810 /nfs/dbraw/zinc/67/88/10/526678810.db2.gz GADIROWFJHPMAE-VIFPVBQESA-N 0 0 313.345 0.518 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1ccc(F)cc1NC1CC1 ZINC000157449993 526722944 /nfs/dbraw/zinc/72/29/44/526722944.db2.gz XXRNBIUUUICDRI-UHFFFAOYSA-N 0 0 306.297 0.890 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000173472736 526852035 /nfs/dbraw/zinc/85/20/35/526852035.db2.gz HBNNRJLLCUKVNH-CYBMUJFWSA-N 0 0 307.398 0.847 10 0 DCAERN Cc1nc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)no1 ZINC000124485092 526883298 /nfs/dbraw/zinc/88/32/98/526883298.db2.gz AUOODLCRUBRYSX-ZETCQYMHSA-N 0 0 306.244 0.405 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3NCCO[C@@H]3C)C2)no1 ZINC000261925478 526921832 /nfs/dbraw/zinc/92/18/32/526921832.db2.gz KZVVQLSQQITPGK-QKCSRTOESA-N 0 0 308.382 0.536 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N1CC(CO)C1 ZINC000188886473 526925766 /nfs/dbraw/zinc/92/57/66/526925766.db2.gz YHYOIYLAUUUXOG-GFCCVEGCSA-N 0 0 307.325 0.565 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCC(=O)N1CCc2ccccc2C1 ZINC000189148811 526981402 /nfs/dbraw/zinc/98/14/02/526981402.db2.gz XHLTWKBIBDPPSF-HNNXBMFYSA-N 0 0 317.389 0.148 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nc(-c2ccccc2F)no1 ZINC000189148692 526982148 /nfs/dbraw/zinc/98/21/48/526982148.db2.gz XKUZALKIDYUIMS-NSHDSACASA-N 0 0 306.297 0.562 10 0 DCAERN O=C(N[C@H](CN1CCOCC1)c1ccccc1)N1CC(CO)C1 ZINC000190600188 526993118 /nfs/dbraw/zinc/99/31/18/526993118.db2.gz QWZYCRXHOWIXTC-MRXNPFEDSA-N 0 0 319.405 0.694 10 0 DCAERN O=Cc1cccc(OCC(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000160449719 527152141 /nfs/dbraw/zinc/15/21/41/527152141.db2.gz LKPQHOKOYBFRHK-INIZCTEOSA-N 0 0 318.373 0.857 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000176285960 527187851 /nfs/dbraw/zinc/18/78/51/527187851.db2.gz LAVBRXUZYHBSTH-CABZTGNLSA-N 0 0 317.349 0.949 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000170740748 527194570 /nfs/dbraw/zinc/19/45/70/527194570.db2.gz ISNDEYBEMQSYAE-LBPRGKRZSA-N 0 0 320.397 0.213 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CCO2)cn1 ZINC000267577168 527320975 /nfs/dbraw/zinc/32/09/75/527320975.db2.gz IKHGMVYBNQKZEM-CHWSQXEVSA-N 0 0 321.381 0.124 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)nn1 ZINC000331323619 527413268 /nfs/dbraw/zinc/41/32/68/527413268.db2.gz NBCYAKDOFQWMRU-LLVKDONJSA-N 0 0 322.365 0.671 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H](O)C(F)(F)F ZINC000228062354 527571948 /nfs/dbraw/zinc/57/19/48/527571948.db2.gz KZLAYOWAEIDGNL-RXMQYKEDSA-N 0 0 307.681 0.275 10 0 DCAERN CCNC(=O)N1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000302716462 528132606 /nfs/dbraw/zinc/13/26/06/528132606.db2.gz GDEHQZMQJLEYCC-UHFFFAOYSA-N 0 0 301.354 0.459 10 0 DCAERN CCCCCN(CCO)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000158688584 528180127 /nfs/dbraw/zinc/18/01/27/528180127.db2.gz NLLNQSYSWKGGMF-CHWSQXEVSA-N 0 0 308.444 0.825 10 0 DCAERN CC(C)Oc1cccnc1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000175614914 528267762 /nfs/dbraw/zinc/26/77/62/528267762.db2.gz LPSUZFUITPKJQJ-UHFFFAOYSA-N 0 0 303.322 0.803 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000172743684 528313746 /nfs/dbraw/zinc/31/37/46/528313746.db2.gz GWIGBKLCYSSDBH-GJZGRUSLSA-N 0 0 323.437 0.568 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000183941058 528332200 /nfs/dbraw/zinc/33/22/00/528332200.db2.gz KKMKBWQWGSXKQB-SNVBAGLBSA-N 0 0 316.345 0.962 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)N2CCSCC2)C1 ZINC000151893276 528419083 /nfs/dbraw/zinc/41/90/83/528419083.db2.gz VFHCUJDIDRIZOO-STQMWFEESA-N 0 0 313.467 0.941 10 0 DCAERN CC(C)n1ncnc1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000299746725 528692002 /nfs/dbraw/zinc/69/20/02/528692002.db2.gz ZJPFYFJHNAJKQP-RKDXNWHRSA-N 0 0 305.304 0.955 10 0 DCAERN CCOCCNC(=O)CN1CCN(CCOCC)[C@H](C)C1 ZINC000175960298 528763450 /nfs/dbraw/zinc/76/34/50/528763450.db2.gz NOQHHDMHVCEMNC-CQSZACIVSA-N 0 0 301.431 0.182 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCCC[C@@H]1CCO ZINC000162297059 528888424 /nfs/dbraw/zinc/88/84/24/528888424.db2.gz MMKXIGDAMWNJRR-GFCCVEGCSA-N 0 0 308.382 0.995 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000331028526 528966370 /nfs/dbraw/zinc/96/63/70/528966370.db2.gz WVSGVTASKHEZNK-IUODEOHRSA-N 0 0 323.397 0.745 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CC(C(=O)NCC)C1 ZINC000153840831 528974968 /nfs/dbraw/zinc/97/49/68/528974968.db2.gz PMLKNKSORWDZOV-LBPRGKRZSA-N 0 0 312.414 0.459 10 0 DCAERN CCN1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)CC1=O ZINC000188056403 529033594 /nfs/dbraw/zinc/03/35/94/529033594.db2.gz KNPWELRFBDJLPM-ZDUSSCGKSA-N 0 0 309.410 0.714 10 0 DCAERN CCO[C@@H](C)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000276707483 529094855 /nfs/dbraw/zinc/09/48/55/529094855.db2.gz PKZZTFCRAFGUIF-AAEUAGOBSA-N 0 0 308.382 0.868 10 0 DCAERN CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1c1ncc[nH]1 ZINC000328614600 529131666 /nfs/dbraw/zinc/13/16/66/529131666.db2.gz ALZCHUCWIJUZEH-BXUZGUMPSA-N 0 0 310.423 0.483 10 0 DCAERN CC[C@@H](O)CN1CCN(c2nc(CCOC)ns2)CC1 ZINC000176933219 529230136 /nfs/dbraw/zinc/23/01/36/529230136.db2.gz YGLCTVGYWIWPSG-LLVKDONJSA-N 0 0 300.428 0.620 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N(C)CCCOC ZINC000487409367 535431485 /nfs/dbraw/zinc/43/14/85/535431485.db2.gz NPBORIQXQIMAGW-WDEREUQCSA-N 0 0 317.386 0.121 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2cnc(C)o2)CC12COC2 ZINC000459261053 535668098 /nfs/dbraw/zinc/66/80/98/535668098.db2.gz WZHIORBHGKPHGU-GFCCVEGCSA-N 0 0 323.349 0.704 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@H]2CCCO2)CC12COC2 ZINC000455263584 535668215 /nfs/dbraw/zinc/66/82/15/535668215.db2.gz AUVTTZJGZTZMJH-VXGBXAGGSA-N 0 0 312.366 0.387 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCCOC)CC12COC2 ZINC000457407196 535668380 /nfs/dbraw/zinc/66/83/80/535668380.db2.gz SWSUSLRMNTVROL-LLVKDONJSA-N 0 0 300.355 0.244 10 0 DCAERN CNC(=O)N1CCN(C(=O)c2cc(C)cc(C(=O)OC)c2)CC1 ZINC000457616583 536316063 /nfs/dbraw/zinc/31/60/63/536316063.db2.gz PMHHRZHBKKVSGZ-UHFFFAOYSA-N 0 0 319.361 0.879 10 0 DCAERN CC(C)[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000030495038 545644472 /nfs/dbraw/zinc/64/44/72/545644472.db2.gz LBIOFOVEOVROAF-VIFPVBQESA-N 0 0 306.409 0.657 10 0 DCAERN C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000078378254 545680017 /nfs/dbraw/zinc/68/00/17/545680017.db2.gz GDWDFSQBVGCGEB-OAHLLOKOSA-N 0 0 314.393 0.667 10 0 DCAERN C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000083722734 545697728 /nfs/dbraw/zinc/69/77/28/545697728.db2.gz QHOKXXPAVFRGNI-OLZOCXBDSA-N 0 0 301.431 0.756 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000119422718 545738172 /nfs/dbraw/zinc/73/81/72/545738172.db2.gz IVUPSRWZVLBKMH-WCQYABFASA-N 0 0 318.439 0.589 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000123296194 545753686 /nfs/dbraw/zinc/75/36/86/545753686.db2.gz VFCFGACMZXIFJK-ZIAGYGMSSA-N 0 0 320.455 0.274 10 0 DCAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cnc(N(C)C)nc1 ZINC000124800452 545761487 /nfs/dbraw/zinc/76/14/87/545761487.db2.gz WCFKBPXTUKOFKN-UHFFFAOYSA-N 0 0 314.305 0.933 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000134958106 545803596 /nfs/dbraw/zinc/80/35/96/545803596.db2.gz XOAHFBIVVHWXNC-SNVBAGLBSA-N 0 0 314.411 0.552 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000152302284 545823147 /nfs/dbraw/zinc/82/31/47/545823147.db2.gz MVUNSYVIFCKXFH-GRYCIOLGSA-N 0 0 300.424 0.965 10 0 DCAERN CCCn1cc(CN2CCC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000154092647 545835786 /nfs/dbraw/zinc/83/57/86/545835786.db2.gz UFSDKJSXGYPHGL-ZDUSSCGKSA-N 0 0 300.428 0.807 10 0 DCAERN COc1c(CN2CCC[C@@H](NS(C)(=O)=O)C2)c(C)nn1C ZINC000154106443 545837049 /nfs/dbraw/zinc/83/70/49/545837049.db2.gz JVNORXNFMAHTDC-LLVKDONJSA-N 0 0 316.427 0.251 10 0 DCAERN Cn1cc(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cn1 ZINC000156496436 545848597 /nfs/dbraw/zinc/84/85/97/545848597.db2.gz QGWMFIKDQHGJKP-CQSZACIVSA-N 0 0 320.393 0.664 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172103290 545882121 /nfs/dbraw/zinc/88/21/21/545882121.db2.gz GVBSDJQKBXVTKG-LPWJVIDDSA-N 0 0 316.423 0.627 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173984301 545884264 /nfs/dbraw/zinc/88/42/64/545884264.db2.gz NNYFMVCQAGEFQB-STQMWFEESA-N 0 0 305.382 0.210 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1coc(Br)c1 ZINC000178626628 545896131 /nfs/dbraw/zinc/89/61/31/545896131.db2.gz GDLPXLISCSOJSJ-JTQLQIEISA-N 0 0 314.183 0.772 10 0 DCAERN O=C(NCCCn1ccnn1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000182480054 545905256 /nfs/dbraw/zinc/90/52/56/545905256.db2.gz HKMWSVYUWUHKAF-NWDGAFQWSA-N 0 0 306.370 0.121 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1 ZINC000183575064 545908646 /nfs/dbraw/zinc/90/86/46/545908646.db2.gz WOXBJQXCVJGBKM-ZDUSSCGKSA-N 0 0 306.337 0.831 10 0 DCAERN C[C@H](CNC(=O)c1ccc(-c2nc[nH]n2)cc1)N1CCOCC1 ZINC000184386246 545910968 /nfs/dbraw/zinc/91/09/68/545910968.db2.gz DKPRSWUHCCGZIG-GFCCVEGCSA-N 0 0 315.377 0.922 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000184331036 545911055 /nfs/dbraw/zinc/91/10/55/545911055.db2.gz PUADONWAJBGANE-GHMZBOCLSA-N 0 0 317.436 0.772 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000187488966 545915705 /nfs/dbraw/zinc/91/57/05/545915705.db2.gz BVVGWAOAPTZXNM-ZDUSSCGKSA-N 0 0 306.366 0.869 10 0 DCAERN O=C(Nc1ccnn1-c1ccccc1)C(=O)N1CCC[C@@H]1CO ZINC000189928313 545923094 /nfs/dbraw/zinc/92/30/94/545923094.db2.gz QPHBGYBTVBYECS-CYBMUJFWSA-N 0 0 314.345 0.794 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000191157879 545925141 /nfs/dbraw/zinc/92/51/41/545925141.db2.gz FGKNJJQTZWPOGO-GHMZBOCLSA-N 0 0 308.357 0.920 10 0 DCAERN Cc1cc(-n2cccn2)ccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000191114231 545925177 /nfs/dbraw/zinc/92/51/77/545925177.db2.gz UJOZCEJABNOLIP-LBPRGKRZSA-N 0 0 313.317 0.717 10 0 DCAERN CCN1CN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191561724 545925734 /nfs/dbraw/zinc/92/57/34/545925734.db2.gz FGHLWGZTEPMYSR-GFCCVEGCSA-N 0 0 318.377 0.523 10 0 DCAERN O=C(c1ncc(Br)s1)N1CCNC(=O)CC1 ZINC000192417186 545928429 /nfs/dbraw/zinc/92/84/29/545928429.db2.gz RHVRUURXUYBDCC-UHFFFAOYSA-N 0 0 304.169 0.868 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CC[C@H]1CCCO1 ZINC000246602093 545965717 /nfs/dbraw/zinc/96/57/17/545965717.db2.gz ZRISNJAOLNSHMZ-GRYCIOLGSA-N 0 0 304.412 0.471 10 0 DCAERN O=C1N[C@@H](CF)C(=O)N1[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000329457674 546050156 /nfs/dbraw/zinc/05/01/56/546050156.db2.gz QTLGKNFTHCHVNU-UWVGGRQHSA-N 0 0 312.322 0.999 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCCNC1=O ZINC000332924861 546066016 /nfs/dbraw/zinc/06/60/16/546066016.db2.gz HVYHZQHVDXEZNL-NOZJJQNGSA-N 0 0 307.398 0.546 10 0 DCAERN COC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CCCO1 ZINC000333320333 546077157 /nfs/dbraw/zinc/07/71/57/546077157.db2.gz PHKDCLFBMCEIMT-RJZRQDKASA-N 0 0 323.393 0.808 10 0 DCAERN Cc1nc(C)n(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000333509795 546083180 /nfs/dbraw/zinc/08/31/80/546083180.db2.gz UCXOMFJMDJABLL-FPMFFAJLSA-N 0 0 306.366 0.330 10 0 DCAERN C[C@@]12CN(C(=O)Cn3ccc(=O)[nH]c3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333564745 546084874 /nfs/dbraw/zinc/08/48/74/546084874.db2.gz XCGDIWSCRAQJRK-YRORDHRNSA-N 0 0 303.362 0.844 10 0 DCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333620859 546086815 /nfs/dbraw/zinc/08/68/15/546086815.db2.gz UGPCXGIGTJBLEL-TWJQMWNJSA-N 0 0 306.366 0.281 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCC(=O)N1 ZINC000333602713 546086956 /nfs/dbraw/zinc/08/69/56/546086956.db2.gz CZGLBGWQGRZYHV-MAZHCROVSA-N 0 0 309.410 0.992 10 0 DCAERN C[C@@]12CN(C(=O)NCCN3C(=O)CNC3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333890831 546094837 /nfs/dbraw/zinc/09/48/37/546094837.db2.gz YSLSUVVLTCIAHU-YRORDHRNSA-N 0 0 320.393 0.616 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000401882752 546226408 /nfs/dbraw/zinc/22/64/08/546226408.db2.gz JAICYKZPFPBFJZ-LLVKDONJSA-N 0 0 323.802 0.236 10 0 DCAERN C[C@H]1CN(Cc2cnc([N-]S(C)(=O)=O)s2)CC[C@@H]1[NH3+] ZINC000725272291 548750312 /nfs/dbraw/zinc/75/03/12/548750312.db2.gz OOGLQWZBYBTIHF-WPRPVWTQSA-N 0 0 304.441 0.684 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CNc3nc(C(N)=O)nn32)C1 ZINC000232498564 563961926 /nfs/dbraw/zinc/96/19/26/563961926.db2.gz KTNFSJZKAYSIJN-IUCAKERBSA-N 0 0 322.369 0.601 10 0 DCAERN CCC(CC)(CNC(=O)[C@@H](C)N1CCNCC1=O)SC ZINC000705765262 667375210 /nfs/dbraw/zinc/37/52/10/667375210.db2.gz AXVVXEZTPHNSNZ-LLVKDONJSA-N 0 0 301.456 0.845 10 0 DCAERN CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCCC3)C2)C1 ZINC000888098376 661176802 /nfs/dbraw/zinc/17/68/02/661176802.db2.gz JUGMLYPBJJMFBO-LLVKDONJSA-N 0 0 323.368 0.589 10 0 DCAERN COc1cccc2[nH]cc(CCNC(=O)[C@@H](C)NC(N)=O)c21 ZINC000179979933 665415112 /nfs/dbraw/zinc/41/51/12/665415112.db2.gz SVCATRYGLUKLHJ-SECBINFHSA-N 0 0 304.350 0.892 10 0 DCAERN CCOC(=O)[C@@H](CSC)NC(=O)CNC(=O)OC(C)(C)C ZINC000238248327 665442379 /nfs/dbraw/zinc/44/23/79/665442379.db2.gz BGUUFRVDZGMEOZ-SECBINFHSA-N 0 0 320.411 0.922 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@H](c3nc(C)no3)C2)nn1 ZINC000068961882 665456005 /nfs/dbraw/zinc/45/60/05/665456005.db2.gz OUNNNGCLQHLOBA-JTQLQIEISA-N 0 0 306.326 0.593 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC[C@H]1C(N)=O ZINC000255095751 657469046 /nfs/dbraw/zinc/46/90/46/657469046.db2.gz NQWSMBDNHQYDHC-PWSUYJOCSA-N 0 0 305.382 0.164 10 0 DCAERN COC(=O)c1cncnc1NCC(C)(C)CS(C)(=O)=O ZINC000723873770 657691347 /nfs/dbraw/zinc/69/13/47/657691347.db2.gz KDCYLSVHAPINEJ-UHFFFAOYSA-N 0 0 301.368 0.746 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000176142734 657889087 /nfs/dbraw/zinc/88/90/87/657889087.db2.gz JLUIORYURRYMIV-QWHCGFSZSA-N 0 0 302.330 0.853 10 0 DCAERN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(C)csc1C ZINC000725084334 658129096 /nfs/dbraw/zinc/12/90/96/658129096.db2.gz ZXPYCPCTAQFNPU-JTQLQIEISA-N 0 0 319.404 0.927 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)csc1C ZINC000725082206 658129395 /nfs/dbraw/zinc/12/93/95/658129395.db2.gz ASBDMBZJIMSZPA-NXEZZACHSA-N 0 0 319.404 0.662 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000158310400 658426525 /nfs/dbraw/zinc/42/65/25/658426525.db2.gz AQZKLXOIKYCDEG-CQSZACIVSA-N 0 0 319.409 0.928 10 0 DCAERN C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000235391290 658457780 /nfs/dbraw/zinc/45/77/80/658457780.db2.gz JQGXNNVYKTVPSL-JHJVBQTASA-N 0 0 302.440 0.848 10 0 DCAERN COC(=O)c1nc(C(=O)N2C[C@@H](OC)[C@@H](OC)C2)cs1 ZINC000721418679 658637623 /nfs/dbraw/zinc/63/76/23/658637623.db2.gz CUOUPISWHJROEG-DTORHVGOSA-N 0 0 300.336 0.416 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000723363123 658647582 /nfs/dbraw/zinc/64/75/82/658647582.db2.gz NPQBYLVPGCTZRR-JTQLQIEISA-N 0 0 300.384 0.173 10 0 DCAERN CC(=O)N1CCN(C(=O)CSc2nc(CO)cs2)CC1 ZINC000723393317 658665451 /nfs/dbraw/zinc/66/54/51/658665451.db2.gz FUHCJBFQQLYIOC-UHFFFAOYSA-N 0 0 315.420 0.418 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCOC3(CCC3)C2)C1=O ZINC000888076007 658707011 /nfs/dbraw/zinc/70/70/11/658707011.db2.gz MVPPSDWFGCSFEQ-ZDUSSCGKSA-N 0 0 310.394 0.795 10 0 DCAERN Cc1nccc(CCC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)n1 ZINC000888079242 658729919 /nfs/dbraw/zinc/72/99/19/658729919.db2.gz OAYDOSCYJISBIA-GZBFAFLISA-N 0 0 301.350 0.405 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000178686054 658739906 /nfs/dbraw/zinc/73/99/06/658739906.db2.gz OJCPKFGUFPHMJU-GMMCIKNFSA-N 0 0 310.419 0.986 10 0 DCAERN CCOC(=O)CN(CN1CCOC1=S)CC(F)(F)F ZINC000120952592 658789534 /nfs/dbraw/zinc/78/95/34/658789534.db2.gz VBBMGCXASKUMRL-UHFFFAOYSA-N 0 0 300.302 0.988 10 0 DCAERN COC(=O)c1nc(C(=O)NCC[C@@H](C)[S@@](C)=O)cs1 ZINC000721435749 658831332 /nfs/dbraw/zinc/83/13/32/658831332.db2.gz QRRKSXCWTKMFBS-QOLSBQFWSA-N 0 0 304.393 0.817 10 0 DCAERN C[C@H](NC(=O)NCCOCCS(C)(=O)=O)C1CCCC1 ZINC000176773697 658923262 /nfs/dbraw/zinc/92/32/62/658923262.db2.gz SGGYXPAIDYHNFY-NSHDSACASA-N 0 0 306.428 0.926 10 0 DCAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000252192670 665626748 /nfs/dbraw/zinc/62/67/48/665626748.db2.gz RVZYQBMZVGBZJA-AGIUHOORSA-N 0 0 302.440 0.800 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1C ZINC000190605366 659284937 /nfs/dbraw/zinc/28/49/37/659284937.db2.gz UZTDQORAKOVMLH-CABCVRRESA-N 0 0 322.430 0.936 10 0 DCAERN CSC[C@H]1CCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000311581379 659327703 /nfs/dbraw/zinc/32/77/03/659327703.db2.gz XDDZBLJKWXGYEY-VIFPVBQESA-N 0 0 302.425 0.823 10 0 DCAERN O=C1CC2(CN1CN1CC[C@](O)(C(F)(F)F)C1)CCOCC2 ZINC000191429563 659392997 /nfs/dbraw/zinc/39/29/97/659392997.db2.gz IYMVZIHDZIVYKZ-CYBMUJFWSA-N 0 0 322.327 0.972 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn(CC(F)F)n1 ZINC000193842307 659463709 /nfs/dbraw/zinc/46/37/09/659463709.db2.gz WJPIBQUNXYOYLG-RKDXNWHRSA-N 0 0 300.309 0.874 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccn(CC(F)F)n1 ZINC000193842318 659463735 /nfs/dbraw/zinc/46/37/35/659463735.db2.gz WJPIBQUNXYOYLG-DTWKUNHWSA-N 0 0 300.309 0.874 10 0 DCAERN CCc1ccc(OC(=O)CN2CCN(CC)C(=O)C2=O)cc1 ZINC000069835547 665685827 /nfs/dbraw/zinc/68/58/27/665685827.db2.gz WKSRIKFNUITHOU-UHFFFAOYSA-N 0 0 304.346 0.845 10 0 DCAERN O=CN1CCC(OC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000181951080 665700592 /nfs/dbraw/zinc/70/05/92/665700592.db2.gz HHUJNDCSNNAQFQ-GFCCVEGCSA-N 0 0 308.378 0.942 10 0 DCAERN CNC(=O)[C@H]1CN(c2cc(C)cnn2)C[C@@H]1c1cnn(C)c1 ZINC000893807189 661410966 /nfs/dbraw/zinc/41/09/66/661410966.db2.gz NILDFUBWHNZUPV-OLZOCXBDSA-N 0 0 300.366 0.485 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccnc1-n1cccn1)C(C)C ZINC000178847397 661632000 /nfs/dbraw/zinc/63/20/00/661632000.db2.gz YBIJGTCUIVMBPU-LBPRGKRZSA-N 0 0 301.350 0.768 10 0 DCAERN NS(=O)(=O)c1ccc2oc(C(=O)N3CCC(O)CC3)cc2c1 ZINC000222815088 661634499 /nfs/dbraw/zinc/63/44/99/661634499.db2.gz VOQFWELKTRBIGG-UHFFFAOYSA-N 0 0 324.358 0.677 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178894977 661715577 /nfs/dbraw/zinc/71/55/77/661715577.db2.gz VQEBXRVUMKXVPO-NSHDSACASA-N 0 0 321.381 0.314 10 0 DCAERN CC(C)(C)OC(=O)NC1CC(C[NH+]2CC(N3CCNC3=O)C2)C1 ZINC000894439969 661968773 /nfs/dbraw/zinc/96/87/73/661968773.db2.gz OPLZIGMGSYYOBF-UHFFFAOYSA-N 0 0 324.425 0.999 10 0 DCAERN Cn1cc(/C=C/C(=O)Oc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000054188457 662099556 /nfs/dbraw/zinc/09/95/56/662099556.db2.gz VIBPJMOEBKQOFJ-FPYGCLRLSA-N 0 0 304.277 0.842 10 0 DCAERN CC1(C)CN(CN2c3ccccc3C(=O)C2=O)CCS1(=O)=O ZINC000151454221 662114679 /nfs/dbraw/zinc/11/46/79/662114679.db2.gz YPGXYTNJRFNVST-UHFFFAOYSA-N 0 0 322.386 0.682 10 0 DCAERN NC(=O)NCC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000054281882 662440727 /nfs/dbraw/zinc/44/07/27/662440727.db2.gz JRJLKWXRZFGQMM-UHFFFAOYSA-N 0 0 304.350 0.488 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H]1N1CCOCC1 ZINC000262690571 662531529 /nfs/dbraw/zinc/53/15/29/662531529.db2.gz AEMSXAGMAVGIJD-WOPDTQHZSA-N 0 0 303.353 0.163 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000263508415 662704235 /nfs/dbraw/zinc/70/42/35/662704235.db2.gz XWOCPLGVDYZYCE-QQFIATSDSA-N 0 0 313.423 0.823 10 0 DCAERN CC(C)[C@H](OC(=O)CCN1CCCS1(=O)=O)C(=O)N(C)C ZINC000729707414 662907682 /nfs/dbraw/zinc/90/76/82/662907682.db2.gz VIGAAUDFWNTYQU-LBPRGKRZSA-N 0 0 320.411 0.068 10 0 DCAERN CC(C)[C@H](C)NC(=O)COC(=O)COc1ccccc1C(N)=O ZINC000729927236 662912310 /nfs/dbraw/zinc/91/23/10/662912310.db2.gz AQHHTKXQLXKOAI-NSHDSACASA-N 0 0 322.361 0.868 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000344873293 663079025 /nfs/dbraw/zinc/07/90/25/663079025.db2.gz AJYSBBGQDSMOFC-VHSXEESVSA-N 0 0 301.364 0.662 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](CO)Cc1ccccc1 ZINC000346247054 663139675 /nfs/dbraw/zinc/13/96/75/663139675.db2.gz CEZQGRMJVVKTDD-HUUCEWRRSA-N 0 0 322.430 0.875 10 0 DCAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cnc(C3CC3)[nH]c2=O)C1=O ZINC000908098177 663733230 /nfs/dbraw/zinc/73/32/30/663733230.db2.gz PIRBUFGTUSAZSC-ZYHUDNBSSA-N 0 0 316.361 0.752 10 0 DCAERN C/C=C/[C@H](O)C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000908315416 663748406 /nfs/dbraw/zinc/74/84/06/663748406.db2.gz YXJLGHHYVBCMAL-QVWGBTSJSA-N 0 0 301.350 0.679 10 0 DCAERN CN(C)c1cc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)ccn1 ZINC000909162506 663784935 /nfs/dbraw/zinc/78/49/35/663784935.db2.gz WEWYNMANSCAGHK-BZPMIXESSA-N 0 0 301.350 0.448 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)cc1C1CC1 ZINC000909167058 663785340 /nfs/dbraw/zinc/78/53/40/663785340.db2.gz DXCBYCHQFFFZAR-DDTOSNHZSA-N 0 0 301.350 0.598 10 0 DCAERN CC(C)CCn1cc(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)nn1 ZINC000909172920 663785818 /nfs/dbraw/zinc/78/58/18/663785818.db2.gz WYFBMTJMKJECIF-BNOWGMLFSA-N 0 0 318.381 0.625 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCC(=O)OC(C)C ZINC000360330792 666384914 /nfs/dbraw/zinc/38/49/14/666384914.db2.gz ZIBABJFSMOBLGN-LLVKDONJSA-N 0 0 302.396 0.756 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)NN2CCCC[C@@H]2C)nn1 ZINC000912141357 664144164 /nfs/dbraw/zinc/14/41/64/664144164.db2.gz KLMNRPAOZVYTQR-CYZMBNFOSA-N 0 0 309.370 0.384 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@H]2CO)c2ccccc2C1=O ZINC000912426568 664174855 /nfs/dbraw/zinc/17/48/55/664174855.db2.gz ZAESYDFBRXJFCL-RISCZKNCSA-N 0 0 304.346 0.076 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCOC[C@H]1CO ZINC000912428292 664175359 /nfs/dbraw/zinc/17/53/59/664175359.db2.gz WEYBTAJXCXKTRZ-VXGBXAGGSA-N 0 0 322.336 0.398 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCCC[C@H]1CO ZINC000151034955 664255511 /nfs/dbraw/zinc/25/55/11/664255511.db2.gz CAIWNHNRNCRUIE-DTWKUNHWSA-N 0 0 312.288 0.942 10 0 DCAERN COC(=O)N[C@@H](C)C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913089466 664267129 /nfs/dbraw/zinc/26/71/29/664267129.db2.gz LLAUTIIGJKRQBY-UFGOTCBOSA-N 0 0 324.381 0.728 10 0 DCAERN COc1c(C)[nH]cc(CN(C)C(=O)[C@@H]2CN(C)C[C@H](C)O2)c1=O ZINC000913320198 664305001 /nfs/dbraw/zinc/30/50/01/664305001.db2.gz QPCULWJUKHJFLX-GWCFXTLKSA-N 0 0 323.393 0.369 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000151416793 664332058 /nfs/dbraw/zinc/33/20/58/664332058.db2.gz JXXHLEQXTYIDLY-CQSZACIVSA-N 0 0 318.439 0.338 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CCCO2)cnn1-c1cc(=O)[nH]cn1 ZINC000222923556 664393289 /nfs/dbraw/zinc/39/32/89/664393289.db2.gz LZXMVNAJWQZLRG-JTQLQIEISA-N 0 0 303.322 0.585 10 0 DCAERN CN(C)c1nc(CN(CCS(C)(=O)=O)C2CC2)ns1 ZINC000156925880 664394928 /nfs/dbraw/zinc/39/49/28/664394928.db2.gz KMRLSBLGFLOWKP-UHFFFAOYSA-N 0 0 304.441 0.613 10 0 DCAERN O=C(NCCO)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223350334 664407784 /nfs/dbraw/zinc/40/77/84/664407784.db2.gz JMRDIPDRSOKIPX-NSHDSACASA-N 0 0 306.318 0.015 10 0 DCAERN O=C(NCCO)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223350391 664407859 /nfs/dbraw/zinc/40/78/59/664407859.db2.gz JMRDIPDRSOKIPX-LLVKDONJSA-N 0 0 306.318 0.015 10 0 DCAERN C[C@@H]1CN(C(=O)c2coc(Br)c2)C[C@H](C(N)=O)O1 ZINC000157402938 664470324 /nfs/dbraw/zinc/47/03/24/664470324.db2.gz WNIJKWXYMZERID-HTRCEHHLSA-N 0 0 317.139 0.757 10 0 DCAERN O=C(NCc1cccnc1-n1ccnc1)N1CCC[C@H](O)C1 ZINC000046099388 664482360 /nfs/dbraw/zinc/48/23/60/664482360.db2.gz BGBXUTXBWJGMHI-ZDUSSCGKSA-N 0 0 301.350 0.934 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000440164397 664508035 /nfs/dbraw/zinc/50/80/35/664508035.db2.gz WAPRSHWTPRDERF-JTQLQIEISA-N 0 0 314.411 0.739 10 0 DCAERN O=S(=O)(c1ccc(N2CCOC[C@H]2CO)cc1)C(F)F ZINC000168734474 664531103 /nfs/dbraw/zinc/53/11/03/664531103.db2.gz KLECEBVYUBMNOV-SNVBAGLBSA-N 0 0 307.318 0.880 10 0 DCAERN O=C1c2ccccc2C(=O)N1CN1CCN(c2cccnn2)CC1 ZINC000170638932 664583859 /nfs/dbraw/zinc/58/38/59/664583859.db2.gz TUEHRXQHVAWXHU-UHFFFAOYSA-N 0 0 323.356 0.852 10 0 DCAERN CCn1cnc(S(=O)(=O)NC[C@@H](O)c2ccsc2)c1 ZINC000230723227 664623930 /nfs/dbraw/zinc/62/39/30/664623930.db2.gz WKVNTOZGGBFMNP-SNVBAGLBSA-N 0 0 301.393 0.976 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)Nc2cn(C)nc2C)c1 ZINC000172857944 664625220 /nfs/dbraw/zinc/62/52/20/664625220.db2.gz DBYIVLWFSMJMMZ-UHFFFAOYSA-N 0 0 308.363 0.889 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000172974047 664626301 /nfs/dbraw/zinc/62/63/01/664626301.db2.gz HCWSWNUWFMVDRL-MRVPVSSYSA-N 0 0 323.358 0.635 10 0 DCAERN O=C1c2ccccc2C(=O)N1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172962507 664626304 /nfs/dbraw/zinc/62/63/04/664626304.db2.gz QTARNKUMBWFQQQ-CYBMUJFWSA-N 0 0 315.373 0.647 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C(N)=O)c1ccccc1 ZINC000730307449 664681809 /nfs/dbraw/zinc/68/18/09/664681809.db2.gz NMUZCXUGXFDIEY-RYUDHWBXSA-N 0 0 308.359 0.678 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCc1ccco1 ZINC000730308923 664682599 /nfs/dbraw/zinc/68/25/99/664682599.db2.gz GGFSNUUAKHDVSG-NSHDSACASA-N 0 0 312.347 0.360 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ncccn1 ZINC000730309549 664682846 /nfs/dbraw/zinc/68/28/46/664682846.db2.gz IJYZBHGVOULMKU-WCBMZHEXSA-N 0 0 324.362 0.268 10 0 DCAERN COCCn1cnn(CN2CCS(=O)(=O)[C@H](C)C2)c1=S ZINC000151570774 664701467 /nfs/dbraw/zinc/70/14/67/664701467.db2.gz XOJCHCXNSRZJSB-SNVBAGLBSA-N 0 0 320.440 0.137 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730639517 664798893 /nfs/dbraw/zinc/79/88/93/664798893.db2.gz UMRUTMIROSSRIM-JTQLQIEISA-N 0 0 318.333 0.814 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(-n2nccn2)nc1 ZINC000741422810 664841677 /nfs/dbraw/zinc/84/16/77/664841677.db2.gz ZZBFOVPZYDFPSO-NRFANRHFSA-N 0 0 308.367 0.552 10 0 DCAERN O=C(Nc1ccn(CCN2CCOCC2)n1)C1=COCCC1 ZINC000731336099 664854494 /nfs/dbraw/zinc/85/44/94/664854494.db2.gz NCGLFUMPIKROEH-UHFFFAOYSA-N 0 0 306.366 0.848 10 0 DCAERN CSCCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174807631 664926934 /nfs/dbraw/zinc/92/69/34/664926934.db2.gz UMUNJORIZDKWFK-UHFFFAOYSA-N 0 0 308.359 0.986 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@](C)(O)c1ccco1 ZINC000153775447 665053102 /nfs/dbraw/zinc/05/31/02/665053102.db2.gz AGYKDVTVNKNNTG-OAHLLOKOSA-N 0 0 320.349 0.849 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1ccc(Br)nc1 ZINC000703971497 667164038 /nfs/dbraw/zinc/16/40/38/667164038.db2.gz RBMRNDAEVXQUTE-JTQLQIEISA-N 0 0 314.183 0.905 10 0 DCAERN O=C(NN1CCOCC1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175162619 665314634 /nfs/dbraw/zinc/31/46/34/665314634.db2.gz ZXUZRDQMMZEWRL-CHWSQXEVSA-N 0 0 304.346 0.925 10 0 DCAERN Cc1ccc(CCC(=O)NCCOC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000170838351 665318894 /nfs/dbraw/zinc/31/88/94/665318894.db2.gz AQYLVHSSULQJCC-CQSZACIVSA-N 0 0 318.373 0.723 10 0 DCAERN O=C(NC[C@@H](O)c1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000186496976 666007571 /nfs/dbraw/zinc/00/75/71/666007571.db2.gz VRWQAMHAENGGRS-CQSZACIVSA-N 0 0 310.313 0.782 10 0 DCAERN Cn1nccc1CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000186736104 666589088 /nfs/dbraw/zinc/58/90/88/666589088.db2.gz FDUYHOPNTDLDKX-UHFFFAOYSA-N 0 0 314.411 0.181 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCCCN1CCOC1=O ZINC000733489369 666749145 /nfs/dbraw/zinc/74/91/45/666749145.db2.gz ROTCDKHSIKHMBJ-SNVBAGLBSA-N 0 0 302.352 0.293 10 0 DCAERN CC[S@](=O)CCNC(=O)CCc1c(C)nc2ncnn2c1C ZINC000733879380 666823675 /nfs/dbraw/zinc/82/36/75/666823675.db2.gz MUVMJVHVDLOPQO-QFIPXVFZSA-N 0 0 323.422 0.559 10 0 DCAERN CC[S@@](=O)CCNC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000733882875 666823893 /nfs/dbraw/zinc/82/38/93/666823893.db2.gz QUFBPRKRRUXWGK-JOCHJYFZSA-N 0 0 324.402 0.835 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000733893453 666826904 /nfs/dbraw/zinc/82/69/04/666826904.db2.gz XGYGWWRDJLZVHQ-FPVGNUTFSA-N 0 0 310.375 0.904 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)NCCCc1ccccc1 ZINC000733959561 666832337 /nfs/dbraw/zinc/83/23/37/666832337.db2.gz MLPPDRKZBDBYKQ-NRFANRHFSA-N 0 0 310.419 0.620 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000733960851 666832348 /nfs/dbraw/zinc/83/23/48/666832348.db2.gz AZQVGXXKBVKLLY-VERVWZFWSA-N 0 0 323.418 0.315 10 0 DCAERN CC[S@@](=O)CCNC(=O)COc1ccc(C=O)cc1OC ZINC000733962280 666832377 /nfs/dbraw/zinc/83/23/77/666832377.db2.gz KLXNZZATNOYADL-OAQYLSRUSA-N 0 0 313.375 0.771 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H](N3CCC3)C2)c1Cl ZINC000702298552 666936583 /nfs/dbraw/zinc/93/65/83/666936583.db2.gz VJMVINBRMSESRN-VIFPVBQESA-N 0 0 304.803 0.542 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCC(=O)N1CCCCCC1 ZINC000735093410 666951085 /nfs/dbraw/zinc/95/10/85/666951085.db2.gz BKSOKGMAPZPJHT-NRFANRHFSA-N 0 0 317.455 0.847 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000735098788 666952266 /nfs/dbraw/zinc/95/22/66/666952266.db2.gz BQVMDWNNDIFWLP-OAQYLSRUSA-N 0 0 321.443 0.921 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000735112421 666954605 /nfs/dbraw/zinc/95/46/05/666954605.db2.gz VLCCOKIZSAUGAE-XUSGNXJCSA-N 0 0 310.423 0.710 10 0 DCAERN CC(=O)N1CCN(C(=O)COC(=O)C[C@H](C)n2cccc2)CC1 ZINC000735139516 666960018 /nfs/dbraw/zinc/96/00/18/666960018.db2.gz JXFYOIPPJRIXHB-ZDUSSCGKSA-N 0 0 321.377 0.673 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1cccc(F)c1F ZINC000735196424 666965243 /nfs/dbraw/zinc/96/52/43/666965243.db2.gz IMJBQZIUSLMUSW-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)C(C)(F)F)C1 ZINC000702811846 666998966 /nfs/dbraw/zinc/99/89/66/666998966.db2.gz IASCJVXQXIABKG-IUCAKERBSA-N 0 0 308.325 0.986 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2cccn2)C1 ZINC000702819918 667000797 /nfs/dbraw/zinc/00/07/97/667000797.db2.gz RSMGWXGELUTVIU-NEPJUHHUSA-N 0 0 324.381 0.227 10 0 DCAERN COC[C@@H](O)CNC(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000735581865 667007924 /nfs/dbraw/zinc/00/79/24/667007924.db2.gz KNQDDWWRPVFPIX-ZDUSSCGKSA-N 0 0 319.365 0.382 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1ccnc(-n2ccnc2)c1 ZINC000118989278 667052071 /nfs/dbraw/zinc/05/20/71/667052071.db2.gz YEJUWEGTRUIEAG-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN O=C(NCCCC1CC1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000737227854 667115335 /nfs/dbraw/zinc/11/53/35/667115335.db2.gz AJRNNTPVJYNIDH-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN C[C@@H]1CN(Cn2nccc2-c2ccncc2)C[C@@H](C(N)=O)O1 ZINC000120165813 667274272 /nfs/dbraw/zinc/27/42/72/667274272.db2.gz CBROWTIWIKEDGI-RISCZKNCSA-N 0 0 301.350 0.477 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)O[C@@H]3CCOC3)CCC(=O)N2C)cn1 ZINC000121610696 667404914 /nfs/dbraw/zinc/40/49/14/667404914.db2.gz IMXNOQWOIAKTOV-DYEKYZERSA-N 0 0 307.350 0.662 10 0 DCAERN CCOC[C@H]1CN(S(=O)(=O)C2CCC(=O)CC2)CCO1 ZINC000708213088 667442288 /nfs/dbraw/zinc/44/22/88/667442288.db2.gz CFYRIFIZJYLYOF-GFCCVEGCSA-N 0 0 305.396 0.565 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)C2CCC(=O)CC2)C[C@H]1C ZINC000708178801 667442126 /nfs/dbraw/zinc/44/21/26/667442126.db2.gz LDKZXQMBVLJKLT-SKDRFNHKSA-N 0 0 303.380 0.569 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1cccnc1Cl ZINC000708236285 667442301 /nfs/dbraw/zinc/44/23/01/667442301.db2.gz WSSDRUDETNDBFE-UHFFFAOYSA-N 0 0 305.787 0.793 10 0 DCAERN Cc1ccc(O)c(C(=O)NC(C)(C)CNS(C)(=O)=O)c1 ZINC000708267118 667442448 /nfs/dbraw/zinc/44/24/48/667442448.db2.gz ZZEBRQHCBRRERI-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)c2cccnc2Cl)C1=O ZINC000709120666 667444123 /nfs/dbraw/zinc/44/41/23/667444123.db2.gz AUGKJHUYHJTNEE-QMMMGPOBSA-N 0 0 303.771 0.634 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000710125349 667445911 /nfs/dbraw/zinc/44/59/11/667445911.db2.gz SYJOJWLHVPUNTK-SFHVURJKSA-N 0 0 314.429 0.622 10 0 DCAERN CNC(=O)Cn1cc(NCC2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000710849211 667446577 /nfs/dbraw/zinc/44/65/77/667446577.db2.gz BLWHBLVOCHFPMX-UHFFFAOYSA-N 0 0 323.397 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000739579273 667707459 /nfs/dbraw/zinc/70/74/59/667707459.db2.gz BBOQBAWNCWJIJY-IBGZPJMESA-N 0 0 321.395 0.728 10 0 DCAERN CO[C@H](C)CC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136427662 667722698 /nfs/dbraw/zinc/72/26/98/667722698.db2.gz BLINCHSNUIQDPL-LLVKDONJSA-N 0 0 304.354 0.198 10 0 DCAERN CCN1CCO[C@@H](CNCc2cn(C)nn2)[C@@H]1c1nccn1C ZINC000886074614 667729261 /nfs/dbraw/zinc/72/92/61/667729261.db2.gz HEGJTWGREKZFNF-UONOGXRCSA-N 0 0 319.413 0.100 10 0 DCAERN Cn1cc(O[C@@H]2CN(c3cnc4c(n3)CCCC4)C[C@H]2O)cn1 ZINC000886079666 667729551 /nfs/dbraw/zinc/72/95/51/667729551.db2.gz QUCDKQUICYVEGF-HUUCEWRRSA-N 0 0 315.377 0.717 10 0 DCAERN O[C@@H](CN1CC(OCc2nc(C3CC3)no2)C1)Cn1cccn1 ZINC000886079061 667729646 /nfs/dbraw/zinc/72/96/46/667729646.db2.gz CLMSCNLYZCRMPQ-LBPRGKRZSA-N 0 0 319.365 0.405 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N=c2nc[nH]n2C(C)C)C1=O ZINC000886078329 667729779 /nfs/dbraw/zinc/72/97/79/667729779.db2.gz VZSZKWDYEWJYEM-NSHDSACASA-N 0 0 309.370 0.247 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000717384276 667743587 /nfs/dbraw/zinc/74/35/87/667743587.db2.gz IJWQGGOQCWPKON-XCBNKYQSSA-N 0 0 301.726 0.583 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCCOC[C@@H]1CCCO1 ZINC000741322836 667767567 /nfs/dbraw/zinc/76/75/67/667767567.db2.gz WQQNBXJGOFYCJS-NWDGAFQWSA-N 0 0 303.380 0.647 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000741417683 667770606 /nfs/dbraw/zinc/77/06/06/667770606.db2.gz MDGDLIZKBCBJQP-BIBXISHDSA-N 0 0 304.412 0.692 10 0 DCAERN Cc1csc([C@@H](C)NS(=O)(=O)CCS(C)(=O)=O)n1 ZINC000742291457 667788562 /nfs/dbraw/zinc/78/85/62/667788562.db2.gz WYUDWQNBDWSRBC-MRVPVSSYSA-N 0 0 312.438 0.477 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000037496963 667789377 /nfs/dbraw/zinc/78/93/77/667789377.db2.gz JKQDDFWXTAJUTH-UHFFFAOYSA-N 0 0 302.400 0.562 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@H](O)[C@H](C)O ZINC000717414535 667789740 /nfs/dbraw/zinc/78/97/40/667789740.db2.gz VFYSTBGNDACOFN-XVKPBYJWSA-N 0 0 318.167 0.929 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H](CO)C1CCC1 ZINC000717611768 667873815 /nfs/dbraw/zinc/87/38/15/667873815.db2.gz HAUYNXFSPZJWDM-ZETCQYMHSA-N 0 0 303.160 0.468 10 0 DCAERN CCOc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126430537 668581301 /nfs/dbraw/zinc/58/13/01/668581301.db2.gz HJPWRLSQPPAOSF-GFCCVEGCSA-N 0 0 312.391 0.801 10 0 DCAERN Cc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c(F)c1 ZINC000126473213 668600620 /nfs/dbraw/zinc/60/06/20/668600620.db2.gz CHALAECGSDHOET-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1 ZINC000126560851 668626184 /nfs/dbraw/zinc/62/61/84/668626184.db2.gz AJUMVOZGOXSTDE-JSGCOSHPSA-N 0 0 310.419 0.949 10 0 DCAERN Cc1cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)ccc1F ZINC000126741067 668652861 /nfs/dbraw/zinc/65/28/61/668652861.db2.gz UDMJBAPJDRFIRA-LLVKDONJSA-N 0 0 300.355 0.849 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@H]2CCC[C@@H]21 ZINC000126813555 668664989 /nfs/dbraw/zinc/66/49/89/668664989.db2.gz ZETYXHNSGUBKJE-UPJWGTAASA-N 0 0 300.424 0.554 10 0 DCAERN Cc1cnc(=S)n(CN2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000132810182 669748846 /nfs/dbraw/zinc/74/88/46/669748846.db2.gz RTXFTEYTGUTGNF-JTQLQIEISA-N 0 0 302.425 0.502 10 0 DCAERN CC(C)(C)n1cc(CN2CCC[C@](O)(c3cn[nH]n3)C2)nn1 ZINC000794010151 669766312 /nfs/dbraw/zinc/76/63/12/669766312.db2.gz QDOHVRJEFLOKES-CQSZACIVSA-N 0 0 305.386 0.635 10 0 DCAERN O=C(c1ccc2nccn2c1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794114612 669790878 /nfs/dbraw/zinc/79/08/78/669790878.db2.gz GVRRCEODWZXJKR-HNNXBMFYSA-N 0 0 312.333 0.576 10 0 DCAERN CCOC(=O)c1cnn(CN2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000133406164 669805724 /nfs/dbraw/zinc/80/57/24/669805724.db2.gz GLVXDVZFLXYECA-UHFFFAOYSA-N 0 0 315.395 0.526 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1Cn1nc2cnccn2c1=O ZINC000133449336 669811328 /nfs/dbraw/zinc/81/13/28/669811328.db2.gz BYPBTAUUVHJENA-ZDUSSCGKSA-N 0 0 313.365 0.518 10 0 DCAERN NC(=O)CN1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000042628084 669829088 /nfs/dbraw/zinc/82/90/88/669829088.db2.gz QHRMUUKAUGIJEE-DHZHZOJOSA-N 0 0 323.418 0.526 10 0 DCAERN C=CCNC(=O)NN=c1ccc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000042925583 669830216 /nfs/dbraw/zinc/83/02/16/669830216.db2.gz CENNTXJQKIHWFT-UHFFFAOYSA-N 0 0 313.383 0.580 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159285651 669935568 /nfs/dbraw/zinc/93/55/68/669935568.db2.gz QBCLPFUNVWOLQW-OLZOCXBDSA-N 0 0 324.377 0.847 10 0 DCAERN CC1(CNC(=O)Cc2ccc3c(c2)NC(=O)C3)OCCCO1 ZINC000191160191 669985270 /nfs/dbraw/zinc/98/52/70/669985270.db2.gz KDEIFIVETFDVED-UHFFFAOYSA-N 0 0 304.346 0.993 10 0 DCAERN COCCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12 ZINC000075532762 670023508 /nfs/dbraw/zinc/02/35/08/670023508.db2.gz IFMRJCJHUJEJJY-UHFFFAOYSA-N 0 0 315.333 0.646 10 0 DCAERN Cc1nn[nH]c1C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000188968582 670069994 /nfs/dbraw/zinc/06/99/94/670069994.db2.gz CKSYRZMMBUFJGQ-GFCCVEGCSA-N 0 0 301.350 0.542 10 0 DCAERN CO[C@@H]1CC(=O)N(CN2CCC[C@H](Cc3noc(C)n3)C2)C1 ZINC000189124077 670091559 /nfs/dbraw/zinc/09/15/59/670091559.db2.gz HUJCXIJKXZJMMX-CHWSQXEVSA-N 0 0 308.382 0.837 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCN([C@H](C)c3nc(C)no3)CC2)C1 ZINC000189145315 670093402 /nfs/dbraw/zinc/09/34/02/670093402.db2.gz PVGRQSOYBDPHAG-YPMHNXCESA-N 0 0 323.397 0.261 10 0 DCAERN CCNC(=O)C1CN(C(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000191894000 670113014 /nfs/dbraw/zinc/11/30/14/670113014.db2.gz BKNUUXMRRKXNJS-UHFFFAOYSA-N 0 0 310.394 0.904 10 0 DCAERN CN(CC(=O)NC1CCC2(CC1)OCCO2)C[C@H]1CCCO1 ZINC000076297551 670119026 /nfs/dbraw/zinc/11/90/26/670119026.db2.gz BGTIECMKBTXEAX-CQSZACIVSA-N 0 0 312.410 0.899 10 0 DCAERN Cc1cccnc1/C=C/C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000189568311 670128231 /nfs/dbraw/zinc/12/82/31/670128231.db2.gz OFYJHXVKNSUDPY-AATRIKPKSA-N 0 0 309.391 0.411 10 0 DCAERN Cn1cc(CNCCCS(C)(=O)=O)c(Br)n1 ZINC000712449075 670148910 /nfs/dbraw/zinc/14/89/10/670148910.db2.gz UQDQEQQSMWMCHD-UHFFFAOYSA-N 0 0 310.217 0.707 10 0 DCAERN Cn1cc(CNCC(=O)N2CCOCC2)c(Br)n1 ZINC000712471417 670149764 /nfs/dbraw/zinc/14/97/64/670149764.db2.gz SOQFKZHSLUHQLA-UHFFFAOYSA-N 0 0 317.187 0.131 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(CN2CCOC2=S)CC1 ZINC000079033119 670152517 /nfs/dbraw/zinc/15/25/17/670152517.db2.gz BAQHYUIKGBUTOP-GFCCVEGCSA-N 0 0 314.455 0.093 10 0 DCAERN C[C@@H](O)c1nc2ccccc2n1Cc1cc(=O)n(C)c(=O)n1C ZINC000192457308 670168811 /nfs/dbraw/zinc/16/88/11/670168811.db2.gz AOYNMHCGEUKTJX-SNVBAGLBSA-N 0 0 314.345 0.535 10 0 DCAERN COC(=O)c1cnc(N(C)CC(C)(C)S(C)(=O)=O)cn1 ZINC000713956241 670172321 /nfs/dbraw/zinc/17/23/21/670172321.db2.gz QXVPFVGAEAPFLD-UHFFFAOYSA-N 0 0 301.368 0.523 10 0 DCAERN COc1cc(C(=O)NCC2(S(N)(=O)=O)CC2)ccc1F ZINC000713981299 670173149 /nfs/dbraw/zinc/17/31/49/670173149.db2.gz TUEPESJOUCPIDB-UHFFFAOYSA-N 0 0 302.327 0.385 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC000713988004 670173175 /nfs/dbraw/zinc/17/31/75/670173175.db2.gz JTPFWIFEUXOPGL-LLVKDONJSA-N 0 0 312.416 0.641 10 0 DCAERN C[C@H]1CN(Cc2cn(C)nc2Br)C[C@H](CO)O1 ZINC000714076186 670175513 /nfs/dbraw/zinc/17/55/13/670175513.db2.gz BQQVWLSTXUYDKE-WCBMZHEXSA-N 0 0 304.188 0.764 10 0 DCAERN Cc1cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)c(C)s1 ZINC000714261263 670182812 /nfs/dbraw/zinc/18/28/12/670182812.db2.gz ZCBOWHOPEXLYGJ-UHFFFAOYSA-N 0 0 303.409 0.245 10 0 DCAERN Cc1cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)ccc1F ZINC000714312673 670183985 /nfs/dbraw/zinc/18/39/85/670183985.db2.gz ZGKOOBUTTKNRDQ-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN CC(C)(C)n1nnc(CNCC[C@H]2CCCS2(=O)=O)n1 ZINC000714342748 670184667 /nfs/dbraw/zinc/18/46/67/670184667.db2.gz RBURVECQXAWLBB-SNVBAGLBSA-N 0 0 301.416 0.485 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC(O)(C(=O)OC)C2)s1 ZINC000714463677 670189045 /nfs/dbraw/zinc/18/90/45/670189045.db2.gz IWQAJGIMOXXBLP-UHFFFAOYSA-N 0 0 305.377 0.219 10 0 DCAERN COC(=O)C1(O)CN(Cc2ccc(Br)cn2)C1 ZINC000714472894 670189562 /nfs/dbraw/zinc/18/95/62/670189562.db2.gz PCEAFRJYFWZTRR-UHFFFAOYSA-N 0 0 301.140 0.564 10 0 DCAERN CCCn1cc([C@@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917862 670225564 /nfs/dbraw/zinc/22/55/64/670225564.db2.gz BZCRROLROYFYBB-GHMZBOCLSA-N 0 0 301.416 0.373 10 0 DCAERN C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N1CCOCC1 ZINC000193792464 670349024 /nfs/dbraw/zinc/34/90/24/670349024.db2.gz PSTZVFWNBREUHD-JTQLQIEISA-N 0 0 302.325 0.599 10 0 DCAERN COCc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000194421768 670432036 /nfs/dbraw/zinc/43/20/36/670432036.db2.gz QFYLLIHRQVFIGB-YPMHNXCESA-N 0 0 306.362 0.858 10 0 DCAERN O=C(NCc1ccncc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000009858423 670660295 /nfs/dbraw/zinc/66/02/95/670660295.db2.gz BMAIVMYHRWDSSD-UHFFFAOYSA-N 0 0 305.334 0.063 10 0 DCAERN Cc1ccc(CC(=O)OCCN(C)S(=O)(=O)N(C)C)s1 ZINC000108630510 670802230 /nfs/dbraw/zinc/80/22/30/670802230.db2.gz HDKXMEWEEVNQSI-UHFFFAOYSA-N 0 0 320.436 0.880 10 0 DCAERN CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000116755201 671113840 /nfs/dbraw/zinc/11/38/40/671113840.db2.gz SCVBQSFVVBWIDI-LBPRGKRZSA-N 0 0 314.345 0.832 10 0 DCAERN C[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)N1CCOCC1 ZINC000116940530 671144938 /nfs/dbraw/zinc/14/49/38/671144938.db2.gz NZTUIGVMJCLDIU-GTJPDFRWSA-N 0 0 319.471 0.554 10 0 DCAERN Nc1nc(NCCn2cc(Br)cn2)nc(C2CC2)n1 ZINC000388539788 685255396 /nfs/dbraw/zinc/25/53/96/685255396.db2.gz QPAOHYWJLCKAPT-UHFFFAOYSA-N 0 0 324.186 0.655 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)cc(C(N)=O)c1 ZINC000456157523 685288836 /nfs/dbraw/zinc/28/88/36/685288836.db2.gz DVOUBWINNWRYBS-GFCCVEGCSA-N 0 0 307.375 0.954 10 0 DCAERN Cn1nnc(C(=O)NCc2cnc(Br)s2)n1 ZINC000718895918 685306100 /nfs/dbraw/zinc/30/61/00/685306100.db2.gz DEZUNDUWKFXOKP-UHFFFAOYSA-N 0 0 303.145 0.359 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)C1 ZINC000719050376 685307629 /nfs/dbraw/zinc/30/76/29/685307629.db2.gz NRMZDJNPNRMZKV-NEPJUHHUSA-N 0 0 304.412 0.658 10 0 DCAERN CO[C@@]1(CNS(=O)(=O)C2CCC(=O)CC2)CCSC1 ZINC000719224928 685309281 /nfs/dbraw/zinc/30/92/81/685309281.db2.gz VXECEZAZKQEKJH-GFCCVEGCSA-N 0 0 307.437 0.940 10 0 DCAERN Cc1ccccc1SCC(=O)N(C)CCS(N)(=O)=O ZINC000719413211 685309919 /nfs/dbraw/zinc/30/99/19/685309919.db2.gz OLEGEZMBUBAVOU-UHFFFAOYSA-N 0 0 302.421 0.834 10 0 DCAERN CCCC[C@@H](NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)OC ZINC000720869061 685316365 /nfs/dbraw/zinc/31/63/65/685316365.db2.gz DUTBYMVVOAIIJE-DGCLKSJQSA-N 0 0 307.412 0.512 10 0 DCAERN COC(C)(C)[C@H](C)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000720082834 685311942 /nfs/dbraw/zinc/31/19/42/685311942.db2.gz BWMQZJDFUBTELG-ZETCQYMHSA-N 0 0 306.409 0.939 10 0 DCAERN Cc1nc(C(=O)NCc2cn(C)nc2Br)no1 ZINC000720098565 685312636 /nfs/dbraw/zinc/31/26/36/685312636.db2.gz KRQWLUPAKYUNHY-UHFFFAOYSA-N 0 0 300.116 0.804 10 0 DCAERN Cn1cc(CNC(=O)c2cnns2)c(Br)n1 ZINC000720663940 685314744 /nfs/dbraw/zinc/31/47/44/685314744.db2.gz YUMDOHXDBNDEPY-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN CO[C@@]1(CNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1 ZINC000720867556 685316610 /nfs/dbraw/zinc/31/66/10/685316610.db2.gz XSBZXOKRKHZYEZ-GFCCVEGCSA-N 0 0 319.404 0.169 10 0 DCAERN CO[C@]1(CNC(=O)OCC(F)(F)F)CCS(=O)(=O)C1 ZINC000720939703 685317459 /nfs/dbraw/zinc/31/74/59/685317459.db2.gz XATUCOQOXABIDD-QMMMGPOBSA-N 0 0 305.274 0.479 10 0 DCAERN COCc1nc(CNCCS(=O)(=O)N2CCCC2)cs1 ZINC000721845822 685319311 /nfs/dbraw/zinc/31/93/11/685319311.db2.gz RLTFSFZLEYLLFY-UHFFFAOYSA-N 0 0 319.452 0.805 10 0 DCAERN NC(=O)CN1CCC(Nc2ncncc2Br)CC1 ZINC000090780838 685103063 /nfs/dbraw/zinc/10/30/63/685103063.db2.gz OYRPJABSKTXZID-UHFFFAOYSA-N 0 0 314.187 0.601 10 0 DCAERN COCCN(CCC(=O)OC)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000096537598 685112584 /nfs/dbraw/zinc/11/25/84/685112584.db2.gz DJQRGJOAVOJUES-LBPRGKRZSA-N 0 0 322.427 0.475 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@H]1Cn1ccnc1)N1CCOCC1 ZINC000177394604 685147334 /nfs/dbraw/zinc/14/73/34/685147334.db2.gz SJYUOCWZRVSTMZ-GJZGRUSLSA-N 0 0 321.425 0.778 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000195520243 685154988 /nfs/dbraw/zinc/15/49/88/685154988.db2.gz CVILHVFZRKVQDP-KGLIPLIRSA-N 0 0 321.425 0.725 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000246163781 685161577 /nfs/dbraw/zinc/16/15/77/685161577.db2.gz IJTHMRKLAJRRJI-NWDGAFQWSA-N 0 0 300.399 0.896 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CCS(=O)(=O)[C@@H](C)C2)C1=O ZINC000247109741 685169812 /nfs/dbraw/zinc/16/98/12/685169812.db2.gz OYLJNAUJCYSNIS-SMDDNHRTSA-N 0 0 316.423 0.484 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCO[C@@H](C)C1 ZINC000248887319 685177065 /nfs/dbraw/zinc/17/70/65/685177065.db2.gz YBOLKUZQDRRSMB-XPCVCDNBSA-N 0 0 310.394 0.507 10 0 DCAERN C[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCc2ccccc21 ZINC000249525936 685181464 /nfs/dbraw/zinc/18/14/64/685181464.db2.gz YGNMVYDQAGCIPR-CABCVRRESA-N 0 0 317.433 0.963 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000249616084 685182908 /nfs/dbraw/zinc/18/29/08/685182908.db2.gz PMVXSCIASCXBAZ-QKCSRTOESA-N 0 0 316.361 0.735 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000249616085 685182952 /nfs/dbraw/zinc/18/29/52/685182952.db2.gz PMVXSCIASCXBAZ-SCDSUCTJSA-N 0 0 316.361 0.735 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C2CC2)CC1 ZINC000255897769 685188522 /nfs/dbraw/zinc/18/85/22/685188522.db2.gz QFEPYRXCWJYQKB-CYBMUJFWSA-N 0 0 317.437 0.995 10 0 DCAERN Cc1nc(Cl)c(Cl)cc1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC000380181404 685237048 /nfs/dbraw/zinc/23/70/48/685237048.db2.gz AHVGTIDXBVHUJP-MUWHJKNJSA-N 0 0 318.160 0.758 10 0 DCAERN O=C(NC1COCCOC1)c1cccc(Br)n1 ZINC000383641882 685242449 /nfs/dbraw/zinc/24/24/49/685242449.db2.gz HBCSIHZBOAMONZ-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN CCOc1n[nH]c(NC(=O)c2c(Br)nnn2C)n1 ZINC000380952227 1158773836 /nfs/dbraw/zinc/77/38/36/1158773836.db2.gz QDIOMVDWTKOQJD-UHFFFAOYSA-N 0 0 316.119 0.347 10 0 DCAERN CCOC(=O)c1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)on1 ZINC000398840854 1157375697 /nfs/dbraw/zinc/37/56/97/1157375697.db2.gz JIOZNSUARXDSHZ-ZPWHCFADSA-N 0 0 302.352 0.690 10 0 DCAERN NC(=O)CNC(=O)c1cc(I)ccc1N ZINC000308992222 1157796754 /nfs/dbraw/zinc/79/67/54/1157796754.db2.gz LMKNMQAPNZXHCY-UHFFFAOYSA-N 0 0 319.102 0.089 10 0 DCAERN C[C@@H](C(=O)NCc1nn(C)cc1Br)n1cncn1 ZINC000393656719 1157822736 /nfs/dbraw/zinc/82/27/36/1157822736.db2.gz OPJUFTZTDPBOED-ZETCQYMHSA-N 0 0 313.159 0.652 10 0 DCAERN COCCCCN(C)S(=O)(=O)c1scnc1C(=O)OC ZINC000397375542 1158098489 /nfs/dbraw/zinc/09/84/89/1158098489.db2.gz GRTAJQKOTWHXKF-UHFFFAOYSA-N 0 0 322.408 0.977 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCCN2C(=O)CCCC2=O)[nH]1 ZINC000332999174 1158259931 /nfs/dbraw/zinc/25/99/31/1158259931.db2.gz AZZFQRQUILQMMK-UHFFFAOYSA-N 0 0 315.333 0.535 10 0 DCAERN CCOCc1nc(Cl)cc(NCCCS(N)(=O)=O)n1 ZINC000129939958 1158344949 /nfs/dbraw/zinc/34/49/49/1158344949.db2.gz OCAKBTCBUMLLAZ-UHFFFAOYSA-N 0 0 308.791 0.757 10 0 DCAERN C[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1nncn1C ZINC000037293520 1171436606 /nfs/dbraw/zinc/43/66/06/1171436606.db2.gz FBMMRKSNFWVPIH-UWVGGRQHSA-N 0 0 309.395 0.874 10 0 DCAERN COC(=O)CN(CCCOCC(F)(F)F)CC(=O)OC ZINC000061876272 1172264791 /nfs/dbraw/zinc/26/47/91/1172264791.db2.gz XJRBDOYRESSGFL-UHFFFAOYSA-N 0 0 301.261 0.603 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066480100 1173759910 /nfs/dbraw/zinc/75/99/10/1173759910.db2.gz XXRJBWAJKBFYBA-JTQLQIEISA-N 0 0 321.377 0.833 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(CO)cc1 ZINC000070331863 1173814229 /nfs/dbraw/zinc/81/42/29/1173814229.db2.gz UXSXLYAWOXHPKA-UHFFFAOYSA-N 0 0 309.347 0.417 10 0 DCAERN Nc1c(Br)cccc1C(=O)NCCOCCO ZINC000071697714 1173831897 /nfs/dbraw/zinc/83/18/97/1173831897.db2.gz CDLGVGONZPBPKD-UHFFFAOYSA-N 0 0 303.156 0.770 10 0 DCAERN COC[C@H](O)CNC(=O)c1ccc(Br)cc1N ZINC000094046343 1175693462 /nfs/dbraw/zinc/69/34/62/1175693462.db2.gz GFDRUYSFUWCMNH-MRVPVSSYSA-N 0 0 303.156 0.768 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)NCCNC(=O)c1cccnc1 ZINC000122385796 1177040628 /nfs/dbraw/zinc/04/06/28/1177040628.db2.gz FKYREWQDKAZEGX-UHFFFAOYSA-N 0 0 314.349 0.097 10 0 DCAERN C#CCOCCC(=O)N1CCN(C(=O)C2CCOCC2)CC1 ZINC000152156466 1180543897 /nfs/dbraw/zinc/54/38/97/1180543897.db2.gz SAPYKBYJLMFAQL-UHFFFAOYSA-N 0 0 308.378 0.124 10 0 DCAERN Cc1cc(CN2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)no1 ZINC000156897374 1180558880 /nfs/dbraw/zinc/55/88/80/1180558880.db2.gz XFBBBFIVEZMPFG-LBPRGKRZSA-N 0 0 307.350 0.580 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)CNC(=O)c2cccc(C)c2)C1 ZINC000157319996 1180560205 /nfs/dbraw/zinc/56/02/05/1180560205.db2.gz BAULZMNZFPKRQY-AWEZNQCLSA-N 0 0 303.362 0.462 10 0 DCAERN CC(=O)N1CCCN(C(=O)CNC(=O)c2cccc(C)c2)CC1 ZINC000247960509 1183332356 /nfs/dbraw/zinc/33/23/56/1183332356.db2.gz VIBHYZKDWIAKBQ-UHFFFAOYSA-N 0 0 317.389 0.806 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1F)c1ccc(=O)[nH]n1 ZINC000169833679 1183609002 /nfs/dbraw/zinc/60/90/02/1183609002.db2.gz XGMBMFGPNJWDOH-UHFFFAOYSA-N 0 0 304.281 0.069 10 0 DCAERN C[C@@H](Cc1ccsc1)N(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000175107723 1184036926 /nfs/dbraw/zinc/03/69/26/1184036926.db2.gz UFBJWEWQGSZLTM-NSHDSACASA-N 0 0 321.402 0.698 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)NCCNC(=O)c1cccs1 ZINC000177898937 1184328829 /nfs/dbraw/zinc/32/88/29/1184328829.db2.gz GIKJABSZIMDAKG-UHFFFAOYSA-N 0 0 319.390 0.763 10 0 DCAERN CCOC(=O)N1CC[C@@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC000187496250 1187497369 /nfs/dbraw/zinc/49/73/69/1187497369.db2.gz TYEAKHSSLMJHKP-LLVKDONJSA-N 0 0 317.349 0.778 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)Cn1ccc(C)cc1=O ZINC000192803522 1187962811 /nfs/dbraw/zinc/96/28/11/1187962811.db2.gz IGWCMMTWRUOXHT-UHFFFAOYSA-N 0 0 318.333 0.706 10 0 DCAERN CC[C@@H](COC)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307908558 1190384864 /nfs/dbraw/zinc/38/48/64/1190384864.db2.gz VEFLXLYOHPEYRH-VIFPVBQESA-N 0 0 300.380 0.827 10 0 DCAERN CC[C@@](C)(CO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307903290 1190385032 /nfs/dbraw/zinc/38/50/32/1190385032.db2.gz JXQRWJBGQPVAGH-ZDUSSCGKSA-N 0 0 300.380 0.563 10 0 DCAERN CC[C@H](COC)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307908557 1190385553 /nfs/dbraw/zinc/38/55/53/1190385553.db2.gz VEFLXLYOHPEYRH-SECBINFHSA-N 0 0 300.380 0.827 10 0 DCAERN CN(CCCCO)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307916955 1190385747 /nfs/dbraw/zinc/38/57/47/1190385747.db2.gz PARHVFFZVHWNHY-UHFFFAOYSA-N 0 0 300.380 0.517 10 0 DCAERN COCCOC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000313566173 1190397029 /nfs/dbraw/zinc/39/70/29/1190397029.db2.gz QRSMZALXGGIESR-UHFFFAOYSA-N 0 0 302.352 0.249 10 0 DCAERN Cc1nnc([C@@H](C)NS(=O)(=O)c2cnc(N)nc2)s1 ZINC000392005840 1190701211 /nfs/dbraw/zinc/70/12/11/1190701211.db2.gz PIFLZDNQWYSUDT-RXMQYKEDSA-N 0 0 300.369 0.089 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)c3cn[nH]c3)c2)NC(=O)NC1=O ZINC000170631196 769477661 /nfs/dbraw/zinc/47/76/61/769477661.db2.gz WMTHSKNNXFAASX-HNNXBMFYSA-N 0 0 313.317 0.394 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2cc(F)c(F)cc2N)CCO1 ZINC000132875224 769681293 /nfs/dbraw/zinc/68/12/93/769681293.db2.gz HGFCPTZFMHHICQ-NSHDSACASA-N 0 0 300.261 0.561 10 0 DCAERN CN(CC1(O)CCOCC1)S(=O)(=O)c1cccnc1F ZINC000401840852 774068613 /nfs/dbraw/zinc/06/86/13/774068613.db2.gz RGQHCGCSZPNFTQ-UHFFFAOYSA-N 0 0 304.343 0.383 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000690816778 954676855 /nfs/dbraw/zinc/67/68/55/954676855.db2.gz DZOMBIICMWAAHN-NEPJUHHUSA-N 0 0 304.412 0.455 10 0 DCAERN CS(=O)(=O)CC1(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000696770866 976823427 /nfs/dbraw/zinc/82/34/27/976823427.db2.gz XHVKBZKAROMJAE-NSHDSACASA-N 0 0 301.408 0.998 10 0 DCAERN CN(Cc1nccn1C(F)F)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC000074140708 1173919912 /nfs/dbraw/zinc/91/99/12/1173919912.db2.gz MAYZSSNBEMPULL-ZETCQYMHSA-N 0 0 315.280 0.225 10 0 DCAERN CC(=O)CSCC(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286535949 219041475 /nfs/dbraw/zinc/04/14/75/219041475.db2.gz SNKNWCOOXQEBRE-UHFFFAOYSA-N 0 0 312.313 0.542 10 0 DCAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000076988068 185064237 /nfs/dbraw/zinc/06/42/37/185064237.db2.gz LAUIABSGWBVUNR-ZIAGYGMSSA-N 0 0 317.389 0.713 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)Nc3ncnn3C)CC2)s1 ZINC000181259589 199272484 /nfs/dbraw/zinc/27/24/84/199272484.db2.gz RRNXISWVGYWOHI-UHFFFAOYSA-N 0 0 321.410 0.930 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2csc(Br)c2)C1 ZINC000278777409 214394101 /nfs/dbraw/zinc/39/41/01/214394101.db2.gz YQLAPHYOQOQLJR-SNVBAGLBSA-N 0 0 319.180 0.573 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000083066099 185212539 /nfs/dbraw/zinc/21/25/39/185212539.db2.gz MHQPYBUDKRWRDT-UHFFFAOYSA-N 0 0 322.390 0.380 10 0 DCAERN CC[C@@H](NC(=O)NCc1cscn1)C(=O)N1CCOCC1 ZINC000176468085 529635083 /nfs/dbraw/zinc/63/50/83/529635083.db2.gz WVLAQCGUEZDREC-LLVKDONJSA-N 0 0 312.395 0.580 10 0 DCAERN Cn1cc(CN2CCO[C@@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000092594672 185328431 /nfs/dbraw/zinc/32/84/31/185328431.db2.gz IPNNIKQTZYFLEO-GFCCVEGCSA-N 0 0 321.402 0.719 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000286615414 219083922 /nfs/dbraw/zinc/08/39/22/219083922.db2.gz CCDLXZSADOMHID-INIZCTEOSA-N 0 0 316.361 0.955 10 0 DCAERN Cc1ccc(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000181442809 199297940 /nfs/dbraw/zinc/29/79/40/199297940.db2.gz SQUGYLVZPHONEP-OLZOCXBDSA-N 0 0 318.416 0.376 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)CC2 ZINC000181596686 199324851 /nfs/dbraw/zinc/32/48/51/199324851.db2.gz JPKCGVRHSIBXFT-MNOVXSKESA-N 0 0 320.397 0.246 10 0 DCAERN CNC(=O)CC(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000186880391 529844282 /nfs/dbraw/zinc/84/42/82/529844282.db2.gz YRFGRQZJMOCWDZ-UHFFFAOYSA-N 0 0 318.421 0.403 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NCCNC(=O)c1ccccc1)C(C)C ZINC000178447044 529896870 /nfs/dbraw/zinc/89/68/70/529896870.db2.gz TYEWVOBDSICFID-ZDUSSCGKSA-N 0 0 320.393 0.486 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(C)C ZINC000179128566 529896207 /nfs/dbraw/zinc/89/62/07/529896207.db2.gz IFVIUWJOPJIRKY-HNNXBMFYSA-N 0 0 305.378 0.232 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cn(C(C)C)cn1 ZINC000179213735 529904083 /nfs/dbraw/zinc/90/40/83/529904083.db2.gz MEKWAOAUPIPQEK-JTQLQIEISA-N 0 0 300.384 0.363 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000299689763 529924257 /nfs/dbraw/zinc/92/42/57/529924257.db2.gz UGJKRUDUWTZDEF-LLVKDONJSA-N 0 0 303.318 0.368 10 0 DCAERN CC(C)[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)C(N)=O ZINC000107187286 185471054 /nfs/dbraw/zinc/47/10/54/185471054.db2.gz HAPAEDVSRXFMFL-LLVKDONJSA-N 0 0 322.756 0.555 10 0 DCAERN O=C(Cn1nc2cnccn2c1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000181696788 199340468 /nfs/dbraw/zinc/34/04/68/199340468.db2.gz BQNVKYRUBMGROC-VXGBXAGGSA-N 0 0 317.349 0.061 10 0 DCAERN CCC1(CC)[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C[C@@H]1OC ZINC000189311882 282388051 /nfs/dbraw/zinc/38/80/51/282388051.db2.gz DEWPOQHKXRNPPK-MQYQWHSLSA-N 0 0 312.410 0.678 10 0 DCAERN CO[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC000330941685 232187896 /nfs/dbraw/zinc/18/78/96/232187896.db2.gz FTDWAXDUVGTFOL-RYUDHWBXSA-N 0 0 311.382 0.544 10 0 DCAERN COCCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081305 185550309 /nfs/dbraw/zinc/55/03/09/185550309.db2.gz HLCLNEOBFVKEJJ-MNOVXSKESA-N 0 0 312.316 0.947 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000129887635 290861362 /nfs/dbraw/zinc/86/13/62/290861362.db2.gz NPKPAOZAFPZZAW-JTQLQIEISA-N 0 0 309.370 0.920 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cn(C)c(=O)cc1C ZINC000080379331 192152732 /nfs/dbraw/zinc/15/27/32/192152732.db2.gz ONDGZEZOUBAZJF-LLVKDONJSA-N 0 0 309.391 0.944 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCN(CC(C)(C)O)CC2)no1 ZINC000071382128 190964638 /nfs/dbraw/zinc/96/46/38/190964638.db2.gz SSPSMCRSKPDVSZ-UHFFFAOYSA-N 0 0 317.411 0.201 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCSC3)C2)cn1 ZINC000287077548 219299761 /nfs/dbraw/zinc/29/97/61/219299761.db2.gz UTZSMTFOYILNFM-ZYHUDNBSSA-N 0 0 308.407 0.358 10 0 DCAERN Cc1n[nH]c(C)c1CCC(=O)N1CC[NH2+]C[C@@H](CC(=O)[O-])C1 ZINC000071765493 191028318 /nfs/dbraw/zinc/02/83/18/191028318.db2.gz GHDWBUFBXNZPHT-GFCCVEGCSA-N 0 0 308.382 0.482 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)CCn1cncn1)CC2 ZINC000150712655 186059153 /nfs/dbraw/zinc/05/91/53/186059153.db2.gz BWTCJMFRBFKKOK-NSHDSACASA-N 0 0 303.370 0.514 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000171488342 186167741 /nfs/dbraw/zinc/16/77/41/186167741.db2.gz ALQNATAIIBTMDP-LBPRGKRZSA-N 0 0 324.402 0.749 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCC(=O)NC(C)C ZINC000175624850 186181251 /nfs/dbraw/zinc/18/12/51/186181251.db2.gz KDNCVMUHMGWXNS-ZDUSSCGKSA-N 0 0 307.398 0.890 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000177910762 186202818 /nfs/dbraw/zinc/20/28/18/186202818.db2.gz XYUOTVHJYNBXLI-AWEZNQCLSA-N 0 0 323.368 0.679 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)ccc1F ZINC000179685863 186205118 /nfs/dbraw/zinc/20/51/18/186205118.db2.gz ZOWYDRONOCBYFJ-NSHDSACASA-N 0 0 302.327 0.009 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000179687724 186205653 /nfs/dbraw/zinc/20/56/53/186205653.db2.gz UZIHKZJBBFLGLQ-JTQLQIEISA-N 0 0 302.327 0.009 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC000183833577 186222322 /nfs/dbraw/zinc/22/23/22/186222322.db2.gz IVVWOIDWRKJNHN-HNNXBMFYSA-N 0 0 315.333 0.294 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000171769514 197982293 /nfs/dbraw/zinc/98/22/93/197982293.db2.gz HNZNOYXUPLEMLV-SNVBAGLBSA-N 0 0 306.409 0.883 10 0 DCAERN CN(C)C(=O)CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000172361731 198085295 /nfs/dbraw/zinc/08/52/95/198085295.db2.gz AYKDIQSAYBKWOL-UHFFFAOYSA-N 0 0 305.256 0.841 10 0 DCAERN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000172493709 198105217 /nfs/dbraw/zinc/10/52/17/198105217.db2.gz RMEJOHRXUGCJGF-ZDUSSCGKSA-N 0 0 316.361 0.824 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1Cc1cnn(-c2ccccc2)n1 ZINC000172634447 198129757 /nfs/dbraw/zinc/12/97/57/198129757.db2.gz RIMLCEHIXGSRRS-LBPRGKRZSA-N 0 0 306.391 0.886 10 0 DCAERN COc1ccc(Cn2cnc3c(nnc4ccnn43)c2=O)cc1 ZINC000072449683 191170086 /nfs/dbraw/zinc/17/00/86/191170086.db2.gz ALKWMQJJBDRAQD-UHFFFAOYSA-N 0 0 308.301 0.891 10 0 DCAERN C[C@@](O)(CNC(=O)CNC(=O)c1ccccn1)c1ccsc1 ZINC000172719880 198141169 /nfs/dbraw/zinc/14/11/69/198141169.db2.gz KQUWUWMNXKERFC-OAHLLOKOSA-N 0 0 319.386 0.897 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CSC[C@@H]3C(=O)N(C)C)c2n1 ZINC000072572926 191196734 /nfs/dbraw/zinc/19/67/34/191196734.db2.gz RVXAOZVOJCOZPD-LLVKDONJSA-N 0 0 319.390 0.641 10 0 DCAERN Cc1nccn1CCCCNC(=O)CNC(=O)c1ccccn1 ZINC000173022065 198177831 /nfs/dbraw/zinc/17/78/31/198177831.db2.gz JYXDQCXYOQAERX-UHFFFAOYSA-N 0 0 315.377 0.913 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173565484 198227851 /nfs/dbraw/zinc/22/78/51/198227851.db2.gz IHKZRZLRKGPVEP-NEPJUHHUSA-N 0 0 323.397 0.294 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCN(c3cnn(C)c3)CC2)c1 ZINC000174270328 198312657 /nfs/dbraw/zinc/31/26/57/198312657.db2.gz CEPBJNXZQWNVJT-UHFFFAOYSA-N 0 0 317.397 0.457 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000174658829 198366924 /nfs/dbraw/zinc/36/69/24/198366924.db2.gz LFGOEGOWHVJFFX-KBPBESRZSA-N 0 0 306.410 0.940 10 0 DCAERN CCN1CCN(CC(=O)NCc2ccc(Cl)cn2)C(=O)C1=O ZINC000182154487 199394178 /nfs/dbraw/zinc/39/41/78/199394178.db2.gz DJWQYRMUKFKRMU-UHFFFAOYSA-N 0 0 324.768 0.042 10 0 DCAERN COCC[C@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000174905927 198399901 /nfs/dbraw/zinc/39/99/01/198399901.db2.gz FBJVWOZHZRQBRQ-HNNXBMFYSA-N 0 0 307.350 0.233 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000182681171 199474923 /nfs/dbraw/zinc/47/49/23/199474923.db2.gz PUOCGDZIBBYMQF-JTQLQIEISA-N 0 0 302.400 0.221 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408237878 283088228 /nfs/dbraw/zinc/08/82/28/283088228.db2.gz PVNFWGXMQQGQAB-NEPJUHHUSA-N 0 0 321.443 0.141 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)cc1-n1cnnn1 ZINC000076099191 191579734 /nfs/dbraw/zinc/57/97/34/191579734.db2.gz MIGNPQBTMYOHKW-GXSJLCMTSA-N 0 0 300.322 0.434 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 ZINC000005183940 181214384 /nfs/dbraw/zinc/21/43/84/181214384.db2.gz FWIRUDXLPDHMIX-UHFFFAOYSA-N 0 0 319.361 0.762 10 0 DCAERN O=C(NCCNC(=O)c1ccco1)N[C@@H]1CCCC[C@H]1CO ZINC000081475683 192273321 /nfs/dbraw/zinc/27/33/21/192273321.db2.gz JPSHHSAIIOYZSD-NWDGAFQWSA-N 0 0 309.366 0.860 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCO1 ZINC000408118268 291103292 /nfs/dbraw/zinc/10/32/92/291103292.db2.gz PJKPKFMJSRXPOM-UONOGXRCSA-N 0 0 311.426 0.424 10 0 DCAERN COC(=O)N[C@@H](C(=O)N[C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000081579291 192296592 /nfs/dbraw/zinc/29/65/92/192296592.db2.gz QLVFLBIIELXKKK-GHMZBOCLSA-N 0 0 309.370 0.918 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCSC[C@H]1CO ZINC000408211425 283193488 /nfs/dbraw/zinc/19/34/88/283193488.db2.gz OXTYDCIMMYTNDC-GFCCVEGCSA-N 0 0 308.469 0.763 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N1CCSC[C@@H]1CO ZINC000408211426 283193605 /nfs/dbraw/zinc/19/36/05/283193605.db2.gz OXTYDCIMMYTNDC-LBPRGKRZSA-N 0 0 308.469 0.763 10 0 DCAERN CCCN(C[C@@H](C)CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000176960557 283269992 /nfs/dbraw/zinc/26/99/92/283269992.db2.gz RPMSQRSZBBGABL-VXGBXAGGSA-N 0 0 311.469 0.566 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCC(C)(C)CCO)cc1 ZINC000178828674 198937690 /nfs/dbraw/zinc/93/76/90/198937690.db2.gz FNAMVCCPSJXHNI-UHFFFAOYSA-N 0 0 314.407 0.733 10 0 DCAERN Cn1cc(OC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cn1 ZINC000179023511 198970827 /nfs/dbraw/zinc/97/08/27/198970827.db2.gz MACDZWFILNNMSJ-TZMCWYRMSA-N 0 0 300.318 0.940 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000179363038 199022296 /nfs/dbraw/zinc/02/22/96/199022296.db2.gz ZONLLSWMNKETOK-QMMMGPOBSA-N 0 0 305.294 0.394 10 0 DCAERN COC(=O)C[C@H](NC(=O)Cn1ncn(C)c1=O)c1ccccc1 ZINC000179399355 199028564 /nfs/dbraw/zinc/02/85/64/199028564.db2.gz XOJUCHGDZBRBNV-LBPRGKRZSA-N 0 0 318.333 0.002 10 0 DCAERN CC[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC)c2)C[C@H](C)O1 ZINC000179438247 199035493 /nfs/dbraw/zinc/03/54/93/199035493.db2.gz CVOKWWKXCMYCPP-CMPLNLGQSA-N 0 0 309.370 0.660 10 0 DCAERN NC(=O)c1ccc(NC(=O)CCCCN2CCOCC2)cn1 ZINC000179765106 199078099 /nfs/dbraw/zinc/07/80/99/199078099.db2.gz YRFMDXTYPKYOPH-UHFFFAOYSA-N 0 0 306.366 0.622 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000180684639 199195993 /nfs/dbraw/zinc/19/59/93/199195993.db2.gz APQDTIJLHHDMMB-LLVKDONJSA-N 0 0 323.397 0.023 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)C(=O)CCC(=O)N1CCOCC1 ZINC000180767834 199207167 /nfs/dbraw/zinc/20/71/67/199207167.db2.gz DTOKVSLVJBYQRE-GFCCVEGCSA-N 0 0 308.382 0.579 10 0 DCAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)CN1CC(=O)NC1=O ZINC000180797980 199210684 /nfs/dbraw/zinc/21/06/84/199210684.db2.gz CJOWROXSXNRKBY-UHFFFAOYSA-N 0 0 315.251 0.614 10 0 DCAERN COC(=O)C[C@H]1CCCCN1S(=O)(=O)c1c[nH]nc1C ZINC000038027047 291156362 /nfs/dbraw/zinc/15/63/62/291156362.db2.gz BGCTTWMFBRVXDW-SNVBAGLBSA-N 0 0 301.368 0.824 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181112059 199253821 /nfs/dbraw/zinc/25/38/21/199253821.db2.gz WPRNRAMOGPDEEN-PIGZYNQJSA-N 0 0 317.389 0.597 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(c3ccc4nncn4n3)CC2)O1 ZINC000155490913 237041210 /nfs/dbraw/zinc/04/12/10/237041210.db2.gz UDZDIOSVOJDVBP-NWDGAFQWSA-N 0 0 316.365 0.340 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000159163503 237072092 /nfs/dbraw/zinc/07/20/92/237072092.db2.gz XWCXHCDUYYVSIJ-SNVBAGLBSA-N 0 0 321.395 0.774 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)c1 ZINC000173168931 237155307 /nfs/dbraw/zinc/15/53/07/237155307.db2.gz OSIRNIXECOERGY-RYUDHWBXSA-N 0 0 302.400 0.135 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)NCCC1CCCC1 ZINC000178284250 237223924 /nfs/dbraw/zinc/22/39/24/237223924.db2.gz MICHJZYGXHEFQB-UHFFFAOYSA-N 0 0 306.428 0.639 10 0 DCAERN COCC(=O)N1CCN(C(=O)NCCCc2ccccn2)CC1 ZINC000178427595 237227904 /nfs/dbraw/zinc/22/79/04/237227904.db2.gz RVGPTQJLYNOZNF-UHFFFAOYSA-N 0 0 320.393 0.514 10 0 DCAERN COCCc1nsc(N2CCN(CCOC)[C@H](C)C2)n1 ZINC000176922022 237206452 /nfs/dbraw/zinc/20/64/52/237206452.db2.gz FYLJVGCJFPATSQ-LLVKDONJSA-N 0 0 300.428 0.884 10 0 DCAERN O=C(CO)N1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1 ZINC000183550979 237283482 /nfs/dbraw/zinc/28/34/82/237283482.db2.gz MZNGCUAFUZDHCX-UHFFFAOYSA-N 0 0 318.373 0.548 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)nc1C ZINC000185327250 237299101 /nfs/dbraw/zinc/29/91/01/237299101.db2.gz UBQXCBCUZFCDAM-WDEREUQCSA-N 0 0 306.410 0.929 10 0 DCAERN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc2c(cn1)nc[nH]c2=O ZINC000186932497 237334866 /nfs/dbraw/zinc/33/48/66/237334866.db2.gz XQGLUIHAFUWWEK-GJZGRUSLSA-N 0 0 322.324 0.706 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H](O)C2CCCCC2)C1 ZINC000188040764 237364708 /nfs/dbraw/zinc/36/47/08/237364708.db2.gz VCFXJLBGDVNWQK-NWDGAFQWSA-N 0 0 304.412 0.078 10 0 DCAERN CCN(CC(N)=O)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000188460869 200251004 /nfs/dbraw/zinc/25/10/04/200251004.db2.gz VCGQXRBFBXGKMM-UHFFFAOYSA-N 0 0 316.770 0.484 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000153874777 291209253 /nfs/dbraw/zinc/20/92/53/291209253.db2.gz GWTAVIGDYIPYPT-LLVKDONJSA-N 0 0 322.390 0.879 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@H](CO)Cc1ccccc1 ZINC000153954154 291210020 /nfs/dbraw/zinc/21/00/20/291210020.db2.gz XWZMURJISVMQQP-AWEZNQCLSA-N 0 0 303.366 0.571 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H](C)C[S@](C)=O)cc1C ZINC000154016367 291210304 /nfs/dbraw/zinc/21/03/04/291210304.db2.gz ULFIQDKUMDOEPP-LAJNKCICSA-N 0 0 310.419 0.916 10 0 DCAERN Cc1nc(C(=O)NCCC(=O)Nc2ccncc2)c(=O)[nH]c1C ZINC000155478276 291219624 /nfs/dbraw/zinc/21/96/24/291219624.db2.gz NNZPXUMLZYROLZ-UHFFFAOYSA-N 0 0 315.333 0.540 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000155346435 291219341 /nfs/dbraw/zinc/21/93/41/291219341.db2.gz NGAGPKUGJYTNQJ-UHFFFAOYSA-N 0 0 317.411 0.463 10 0 DCAERN COCCc1cc(NC(=O)Cn2nnnc2C(C)C)n(C)n1 ZINC000156523478 291224837 /nfs/dbraw/zinc/22/48/37/291224837.db2.gz MKCXLLIVOOCLQP-UHFFFAOYSA-N 0 0 307.358 0.358 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000156169296 291224017 /nfs/dbraw/zinc/22/40/17/291224017.db2.gz DEEYCUKZCRBWCJ-STQMWFEESA-N 0 0 301.346 0.722 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000287931543 219813047 /nfs/dbraw/zinc/81/30/47/219813047.db2.gz PVIMOFGACIUWRP-GMXVVIOVSA-N 0 0 306.366 0.030 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1cccc(-n2ccnn2)c1 ZINC000157690109 291229081 /nfs/dbraw/zinc/22/90/81/291229081.db2.gz KIWWUACCNKVDNU-MRXNPFEDSA-N 0 0 316.361 0.786 10 0 DCAERN Cc1cnc(CCN(C)CC(=O)N[C@@H](C)C(=O)N(C)C)s1 ZINC000157730936 291229611 /nfs/dbraw/zinc/22/96/11/291229611.db2.gz CMGUQIZXZDRDLJ-NSHDSACASA-N 0 0 312.439 0.519 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000157836647 291229704 /nfs/dbraw/zinc/22/97/04/291229704.db2.gz FAUUQMRVKDOCJD-AGIUHOORSA-N 0 0 300.399 0.847 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000135577860 291233936 /nfs/dbraw/zinc/23/39/36/291233936.db2.gz CQEGECMVPOBIHZ-DGCLKSJQSA-N 0 0 316.423 0.580 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000162658737 291244549 /nfs/dbraw/zinc/24/45/49/291244549.db2.gz YJWZOOYPZLTBQN-YPMHNXCESA-N 0 0 303.362 0.983 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)cc(=O)[nH]1 ZINC000276511653 238321405 /nfs/dbraw/zinc/32/14/05/238321405.db2.gz CJSDJOFQVARQHP-ZDUSSCGKSA-N 0 0 315.377 0.958 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)C[C@H]2C)o1 ZINC000408396931 239267871 /nfs/dbraw/zinc/26/78/71/239267871.db2.gz VIUXPUABUADFJZ-MNOVXSKESA-N 0 0 302.396 0.664 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194810866 296054626 /nfs/dbraw/zinc/05/46/26/296054626.db2.gz PKVMEARXUIBNDL-STQMWFEESA-N 0 0 301.346 0.212 10 0 DCAERN Cc1nc(C(=O)NCCOCC2CCC2)nn1-c1nc[nH]n1 ZINC000566536310 291310960 /nfs/dbraw/zinc/31/09/60/291310960.db2.gz NUVSVGRHKKGQFR-UHFFFAOYSA-N 0 0 305.342 0.240 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173085003 291322485 /nfs/dbraw/zinc/32/24/85/291322485.db2.gz IYFRGKFCNUAPKN-TVQRCGJNSA-N 0 0 315.329 0.587 10 0 DCAERN CCOC(=O)[C@H](CC)S(=O)(=O)Cc1nnc(C)n1CC ZINC000090989478 192969902 /nfs/dbraw/zinc/96/99/02/192969902.db2.gz FVJJXABMHKIDPH-JTQLQIEISA-N 0 0 303.384 0.863 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)[C@H]1CCCO1 ZINC000275456832 212345006 /nfs/dbraw/zinc/34/50/06/212345006.db2.gz RNNIUCKAQQRHCJ-BFHYXJOUSA-N 0 0 321.425 0.986 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000408078134 291328001 /nfs/dbraw/zinc/32/80/01/291328001.db2.gz BDAFIYSHGAANJU-NEPJUHHUSA-N 0 0 305.396 0.913 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)[C@H](C)OC ZINC000567157262 291339589 /nfs/dbraw/zinc/33/95/89/291339589.db2.gz UFAGWZOZRIZOOJ-ZNSHCXBVSA-N 0 0 317.386 0.165 10 0 DCAERN CCOCC1(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000441052376 240492486 /nfs/dbraw/zinc/49/24/86/240492486.db2.gz QJEFRIAPWIDYMS-CYBMUJFWSA-N 0 0 310.394 0.699 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@H](C)CS(C)(=O)=O)no1 ZINC000441713145 240535056 /nfs/dbraw/zinc/53/50/56/240535056.db2.gz CTLQHUGSWHRVTE-MRVPVSSYSA-N 0 0 303.384 0.664 10 0 DCAERN COc1cccc(C[C@H](O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1 ZINC000442683278 240546363 /nfs/dbraw/zinc/54/63/63/240546363.db2.gz VFMOIFILAUGQAN-WBMJQRKESA-N 0 0 320.389 0.678 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ncc(C(=O)OC)cn2)CC12COC2 ZINC000450563412 240634747 /nfs/dbraw/zinc/63/47/47/240634747.db2.gz HVZXSPFOEQRYFA-LLVKDONJSA-N 0 0 321.333 0.279 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H](C)CN1CCCC1=O ZINC000445778505 240583844 /nfs/dbraw/zinc/58/38/44/240583844.db2.gz YIQAAEFIXSNOAF-SECBINFHSA-N 0 0 321.381 0.103 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2cccn2C)CC12COC2 ZINC000454601413 240795206 /nfs/dbraw/zinc/79/52/06/240795206.db2.gz TVHFLDWEHOSQSV-ZDUSSCGKSA-N 0 0 321.377 0.746 10 0 DCAERN Cc1cc(OCC(=O)N2CCOC[C@@H]2C(N)=O)ccc1Cl ZINC000091783536 193107673 /nfs/dbraw/zinc/10/76/73/193107673.db2.gz KRLYWNQZAXUMNW-GFCCVEGCSA-N 0 0 312.753 0.740 10 0 DCAERN COCCN1CCN(Cc2ncc(C)c(OC)c2C)CC1=O ZINC000091839557 193115887 /nfs/dbraw/zinc/11/58/87/193115887.db2.gz NLLXLSULAILQOV-UHFFFAOYSA-N 0 0 307.394 0.998 10 0 DCAERN CN(C)c1ccc(NC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000091983982 193136365 /nfs/dbraw/zinc/13/63/65/193136365.db2.gz OONFAYHFVAXYIO-OAHLLOKOSA-N 0 0 322.409 0.567 10 0 DCAERN C[C@@H](C(=O)N1CC(S(C)(=O)=O)C1)n1cnc2ccccc21 ZINC000456962214 240948464 /nfs/dbraw/zinc/94/84/64/240948464.db2.gz ZBLNRMDMWVRLCW-JTQLQIEISA-N 0 0 307.375 0.853 10 0 DCAERN C[C@H](CCc1ccccc1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457422558 241003080 /nfs/dbraw/zinc/00/30/80/241003080.db2.gz ZNDBRCNDGMJDQN-UKRRQHHQSA-N 0 0 317.393 0.960 10 0 DCAERN CCOC(=O)[C@H](CCOC(C)(C)C)NS(=O)(=O)C1COC1 ZINC000493978580 241186843 /nfs/dbraw/zinc/18/68/43/241186843.db2.gz SXNIXORUUOPNOH-NSHDSACASA-N 0 0 323.411 0.442 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000364242617 291372998 /nfs/dbraw/zinc/37/29/98/291372998.db2.gz AVPDWEJHNLAIIG-IOASZLSFSA-N 0 0 311.378 0.984 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@](C)(O)C1 ZINC000300160974 291380891 /nfs/dbraw/zinc/38/08/91/291380891.db2.gz FBEOTXCJXLPLGL-MDZLAQPJSA-N 0 0 305.396 0.505 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000408094082 291441773 /nfs/dbraw/zinc/44/17/73/291441773.db2.gz FBFUWFHWYDNOQG-VJTDZRGJSA-N 0 0 311.378 0.574 10 0 DCAERN CCc1cc(C)c(C(=O)NCC2CN(S(C)(=O)=O)C2)o1 ZINC000187269183 261122948 /nfs/dbraw/zinc/12/29/48/261122948.db2.gz PPGJZEDGICRQHT-UHFFFAOYSA-N 0 0 300.380 0.772 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC[C@@H](OC)C1 ZINC000234743518 261154599 /nfs/dbraw/zinc/15/45/99/261154599.db2.gz ZDGRJRXPRIGNQV-UTUOFQBUSA-N 0 0 305.396 0.769 10 0 DCAERN NC(=O)NCC(=O)NCCc1cccc(Br)c1 ZINC000243785402 261165817 /nfs/dbraw/zinc/16/58/17/261165817.db2.gz QHRWLXKPFXJZBZ-UHFFFAOYSA-N 0 0 300.156 0.776 10 0 DCAERN Cn1cc(CN2CCO[C@@H](c3ccsc3)C2)c(=O)n(C)c1=O ZINC000093768571 193304134 /nfs/dbraw/zinc/30/41/34/193304134.db2.gz IZECOZZRUBDEOS-CYBMUJFWSA-N 0 0 321.402 0.719 10 0 DCAERN CCNC(=O)CNC(=O)c1ccc(Br)cc1N ZINC000094042590 193340677 /nfs/dbraw/zinc/34/06/77/193340677.db2.gz RIMFLIAPHMPUBN-UHFFFAOYSA-N 0 0 300.156 0.897 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@@H](C)c2nccn2C)[C@@H](C)C1 ZINC000569878214 291500429 /nfs/dbraw/zinc/50/04/29/291500429.db2.gz AEHSBQMUPTXGGG-RYUDHWBXSA-N 0 0 308.382 0.577 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)CC[C@@H]2CCCO2)C1=O ZINC000569900264 291501471 /nfs/dbraw/zinc/50/14/71/291501471.db2.gz SBCUKJFYIYSQRX-STQMWFEESA-N 0 0 320.393 0.991 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC ZINC000264738754 204117442 /nfs/dbraw/zinc/11/74/42/204117442.db2.gz JTDQLZAATJROQN-WDEREUQCSA-N 0 0 313.423 0.352 10 0 DCAERN COCCN(CCOC)C(=O)Cc1csc(NC(C)=O)n1 ZINC000009814419 181641465 /nfs/dbraw/zinc/64/14/65/181641465.db2.gz WINJPLUUKGHPDQ-UHFFFAOYSA-N 0 0 315.395 0.765 10 0 DCAERN OC[C@H]1O[C@H](Oc2cccc3ccccc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012406261 181758193 /nfs/dbraw/zinc/75/81/93/181758193.db2.gz CVAOQMBKGUKOIZ-OWYFMNJBSA-N 0 0 306.314 0.019 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CC(=O)N(C)[C@H](C)C2)c1C ZINC000282508573 217050110 /nfs/dbraw/zinc/05/01/10/217050110.db2.gz XTWWVNMOMJDBOL-SECBINFHSA-N 0 0 311.407 0.606 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCN2CCCS2(=O)=O)s1 ZINC000265508702 204665116 /nfs/dbraw/zinc/66/51/16/204665116.db2.gz RKKCEBLTFMWJFO-UHFFFAOYSA-N 0 0 317.392 0.710 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282608552 217123086 /nfs/dbraw/zinc/12/30/86/217123086.db2.gz DVXFCAACOHCZBR-HZPDHXFCSA-N 0 0 320.393 0.410 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000373708174 284313404 /nfs/dbraw/zinc/31/34/04/284313404.db2.gz NVLLNHSJNOUYPZ-YNEHKIRRSA-N 0 0 324.425 0.553 10 0 DCAERN CO[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cnn(C)c1 ZINC000282636176 217141858 /nfs/dbraw/zinc/14/18/58/217141858.db2.gz GQVFUKLPPCRUKE-NSHDSACASA-N 0 0 315.395 0.143 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@@H]3O[C@@H](C)C[C@@H]3C)CC2)n1 ZINC000282720991 217200566 /nfs/dbraw/zinc/20/05/66/217200566.db2.gz QGWHWOMFVADSFW-SGMGOOAPSA-N 0 0 320.393 0.947 10 0 DCAERN CCN(CC(=O)NC(N)=O)CC(=O)Nc1c(C)cccc1C ZINC000130073122 284396192 /nfs/dbraw/zinc/39/61/92/284396192.db2.gz YKUDOWXNKDSEEV-UHFFFAOYSA-N 0 0 306.366 0.759 10 0 DCAERN COCCCNC(=O)c1cccc(NC(=O)CC(=O)OC)c1 ZINC000020114214 182188188 /nfs/dbraw/zinc/18/81/88/182188188.db2.gz XKBWMXJUTFTVPW-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 ZINC000022549411 182326491 /nfs/dbraw/zinc/32/64/91/182326491.db2.gz KSJQNIIRFNCAHC-CQSZACIVSA-N 0 0 310.375 0.952 10 0 DCAERN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408425981 296218311 /nfs/dbraw/zinc/21/83/11/296218311.db2.gz IINNYHQWQNVKAQ-NAKRPEOUSA-N 0 0 319.427 0.117 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000024538869 182383481 /nfs/dbraw/zinc/38/34/81/182383481.db2.gz JVGKTQUMQMBQLK-CYBMUJFWSA-N 0 0 320.393 0.997 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000573263035 291621108 /nfs/dbraw/zinc/62/11/08/291621108.db2.gz NHIAAKJGZGGQQM-LBPRGKRZSA-N 0 0 315.439 0.852 10 0 DCAERN Nc1ccccc1S(=O)(=O)NCC1(CO)CCOCC1 ZINC000274422542 211600645 /nfs/dbraw/zinc/60/06/45/211600645.db2.gz DZWHEPKQIQMRRG-UHFFFAOYSA-N 0 0 300.380 0.336 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@H]1CCCC[C@@H]1CO ZINC000130052501 545784545 /nfs/dbraw/zinc/78/45/45/545784545.db2.gz UUFMMJACZLSCDE-OLZOCXBDSA-N 0 0 318.439 0.662 10 0 DCAERN NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1 ZINC000038008337 182961016 /nfs/dbraw/zinc/96/10/16/182961016.db2.gz NIVDLXQYRBBNJA-QMMMGPOBSA-N 0 0 303.771 0.621 10 0 DCAERN CC(=O)c1nc2ccccc2n1C(=O)CN1CCN(C=O)CC1 ZINC000039763303 183021408 /nfs/dbraw/zinc/02/14/08/183021408.db2.gz DIFPFLQXLZBEOE-UHFFFAOYSA-N 0 0 314.345 0.653 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@H](O)COCC(C)C)n1 ZINC000102035142 193857194 /nfs/dbraw/zinc/85/71/94/193857194.db2.gz QYVNRERSCUDZQQ-NSHDSACASA-N 0 0 300.359 0.253 10 0 DCAERN C[C@@H](CN(C)S(=O)(=O)CCc1ccncc1)C(N)=S ZINC000042457169 183272864 /nfs/dbraw/zinc/27/28/64/183272864.db2.gz VCEBAKQSXIHSEG-JTQLQIEISA-N 0 0 301.437 0.808 10 0 DCAERN COC(=O)CCCS(=O)(=O)N(CCC(N)=S)C1CC1 ZINC000042531334 183281992 /nfs/dbraw/zinc/28/19/92/183281992.db2.gz FHLDXJDEWWGAIR-UHFFFAOYSA-N 0 0 308.425 0.410 10 0 DCAERN CCOCCOCC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000102473297 193890500 /nfs/dbraw/zinc/89/05/00/193890500.db2.gz MFWFAJFOWDKDON-STQMWFEESA-N 0 0 300.399 0.945 10 0 DCAERN O=C(c1ccc2nccnc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000333452072 284694114 /nfs/dbraw/zinc/69/41/14/284694114.db2.gz NTHNXDYJEMOIQM-LBPRGKRZSA-N 0 0 313.361 0.572 10 0 DCAERN COCc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104782611 194039701 /nfs/dbraw/zinc/03/97/01/194039701.db2.gz YRQGUNBNIXJTQE-HNNXBMFYSA-N 0 0 307.394 0.963 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000104799683 194040809 /nfs/dbraw/zinc/04/08/09/194040809.db2.gz XTIKMMQZIJNODK-AWEZNQCLSA-N 0 0 319.409 0.244 10 0 DCAERN CCc1nc(CCNC(=O)NC[C@H]2CN(C)CCO2)cs1 ZINC000104795526 194041450 /nfs/dbraw/zinc/04/14/50/194041450.db2.gz YBHZSUZXVIWMJL-LBPRGKRZSA-N 0 0 312.439 0.878 10 0 DCAERN NC(=O)c1cccc(CNC(=O)N2CCN(C3CC3)CC2)c1 ZINC000105131412 194077612 /nfs/dbraw/zinc/07/76/12/194077612.db2.gz OITXAGBVCKLMIV-UHFFFAOYSA-N 0 0 302.378 0.775 10 0 DCAERN CC(=O)Nc1cccc(CNC(=O)N2CCNC(=O)CC2)c1 ZINC000105108138 194075191 /nfs/dbraw/zinc/07/51/91/194075191.db2.gz HNHRGNAVLMFKPB-UHFFFAOYSA-N 0 0 304.350 0.677 10 0 DCAERN Cc1cc(NC(=O)CN2CCCN(c3cccnn3)CC2)no1 ZINC000105798190 194130820 /nfs/dbraw/zinc/13/08/20/194130820.db2.gz MIDVIHRQSKJQGX-UHFFFAOYSA-N 0 0 316.365 0.924 10 0 DCAERN Cc1noc([C@H](C)N2CCN(CCN3C(=O)CCC3=O)CC2)n1 ZINC000105864561 194149550 /nfs/dbraw/zinc/14/95/50/194149550.db2.gz BCMGKPPBSSNGJK-NSHDSACASA-N 0 0 321.381 0.206 10 0 DCAERN CCOCCN1CCN([C@@H](C)C(=O)NCCCOC)C[C@@H]1C ZINC000105835212 194142842 /nfs/dbraw/zinc/14/28/42/194142842.db2.gz KZFYWNKSQGJAAV-GJZGRUSLSA-N 0 0 315.458 0.570 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105855901 194147369 /nfs/dbraw/zinc/14/73/69/194147369.db2.gz UVYYVSGTSOFVAL-NWDGAFQWSA-N 0 0 323.422 0.753 10 0 DCAERN CCCNC(=O)[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105868450 194151892 /nfs/dbraw/zinc/15/18/92/194151892.db2.gz UGIKXXCKBYEICZ-CYBMUJFWSA-N 0 0 321.425 0.912 10 0 DCAERN O=C(CN1CCn2cnnc2C1)Nc1nc2c(s1)CCC2 ZINC000105880518 194155777 /nfs/dbraw/zinc/15/57/77/194155777.db2.gz WWIAXXWEYBEXTA-UHFFFAOYSA-N 0 0 304.379 0.678 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889900 194159503 /nfs/dbraw/zinc/15/95/03/194159503.db2.gz CDWSTCSKXZCUAJ-KBPBESRZSA-N 0 0 310.398 0.125 10 0 DCAERN C[C@H](CNC(=O)c1ccccc1-n1cnnn1)N1CCOCC1 ZINC000105994792 194177591 /nfs/dbraw/zinc/17/75/91/194177591.db2.gz BAEZCEJDVRODTE-GFCCVEGCSA-N 0 0 316.365 0.113 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000106395240 194205379 /nfs/dbraw/zinc/20/53/79/194205379.db2.gz YLMBYPJVESDTPG-OAHLLOKOSA-N 0 0 313.442 0.598 10 0 DCAERN O=C(c1ncn(-c2ccccc2)n1)N1CCO[C@@]2(CCOC2)C1 ZINC000184575924 284773201 /nfs/dbraw/zinc/77/32/01/284773201.db2.gz UKTSOSFTJSREFA-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000106393340 194206164 /nfs/dbraw/zinc/20/61/64/194206164.db2.gz FOUUDYOGLDJZSR-ZDUSSCGKSA-N 0 0 313.442 0.454 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NCc2cscn2)CC1 ZINC000050406614 183785656 /nfs/dbraw/zinc/78/56/56/183785656.db2.gz ZPIMMODKGXJCCX-UHFFFAOYSA-N 0 0 317.436 0.821 10 0 DCAERN CCNc1cc(C(=O)NCCS(N)(=O)=O)cc(Cl)n1 ZINC000050754360 183802727 /nfs/dbraw/zinc/80/27/27/183802727.db2.gz RCMLCHZTICNJEN-UHFFFAOYSA-N 0 0 306.775 0.185 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000110888370 194367125 /nfs/dbraw/zinc/36/71/25/194367125.db2.gz NLGIXYUHCXBHFD-PWSUYJOCSA-N 0 0 304.350 0.307 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111077756 194389702 /nfs/dbraw/zinc/38/97/02/194389702.db2.gz OMVCKGFLQVFUBU-AWEZNQCLSA-N 0 0 320.393 0.417 10 0 DCAERN COC(=O)/C=C1\S[C@H](NC(=O)c2ccc(C)cc2)NC1=O ZINC000058899801 184130850 /nfs/dbraw/zinc/13/08/50/184130850.db2.gz VMNJVEJQKFZFEF-JKEYDSJLSA-N 0 0 306.343 0.928 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000061145394 184162986 /nfs/dbraw/zinc/16/29/86/184162986.db2.gz ZMAVVSSYIILIIF-UHFFFAOYSA-N 0 0 316.354 0.607 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H]1CCCO1 ZINC000063853791 184289999 /nfs/dbraw/zinc/28/99/99/184289999.db2.gz MCUXMDWIRJOPQN-MRVPVSSYSA-N 0 0 304.393 0.613 10 0 DCAERN Cn1nc(-c2csc(S(=O)(=O)NC3CC3)c2)ccc1=O ZINC000065128901 184311360 /nfs/dbraw/zinc/31/13/60/184311360.db2.gz WDHKUTCVIKZOKO-UHFFFAOYSA-N 0 0 311.388 0.950 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112661752 194498454 /nfs/dbraw/zinc/49/84/54/194498454.db2.gz ZWYQINXKGINMSH-LLVKDONJSA-N 0 0 300.318 0.681 10 0 DCAERN Cn1cnc(CNC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000332997504 252670101 /nfs/dbraw/zinc/67/01/01/252670101.db2.gz AJMSGWKFDBLJIF-SCZZXKLOSA-N 0 0 321.303 0.660 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H]3CCO[C@H]3C)CCO2)o1 ZINC000333266904 252699531 /nfs/dbraw/zinc/69/95/31/252699531.db2.gz BVQLVOFOTUHLGC-DCAQKATOSA-N 0 0 310.354 0.892 10 0 DCAERN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058433 296347420 /nfs/dbraw/zinc/34/74/20/296347420.db2.gz JDOACKAAMNNKMS-MEBBXXQBSA-N 0 0 309.366 0.128 10 0 DCAERN CC1(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000333672401 252750340 /nfs/dbraw/zinc/75/03/40/252750340.db2.gz JDDBFWWOFDUQMA-UHFFFAOYSA-N 0 0 322.452 0.369 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2cnc3c(n2)CCCC3)C1 ZINC000333929565 252777272 /nfs/dbraw/zinc/77/72/72/252777272.db2.gz YLXJHKFOAQSZBU-LLVKDONJSA-N 0 0 310.423 0.873 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](F)C3)C2=O)n(C)n1 ZINC000333997314 252782062 /nfs/dbraw/zinc/78/20/62/252782062.db2.gz OSWBODGNQMGYOI-NEPJUHHUSA-N 0 0 323.372 0.977 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000106039596 291833730 /nfs/dbraw/zinc/83/37/30/291833730.db2.gz CRDGRWMIJMTBFB-IJLUTSLNSA-N 0 0 320.411 0.368 10 0 DCAERN CC(=O)CCc1ccc(OCCC(=O)NC[C@@](C)(O)CO)cc1 ZINC000338621168 252974169 /nfs/dbraw/zinc/97/41/69/252974169.db2.gz DZZFVNHHIWRIOR-QGZVFWFLSA-N 0 0 323.389 0.837 10 0 DCAERN COc1cnc(C(=O)N2CCCC[C@H]2CN2CCOCC2)nc1 ZINC000340169174 253210584 /nfs/dbraw/zinc/21/05/84/253210584.db2.gz ODGLSLJVGGLGTM-ZDUSSCGKSA-N 0 0 320.393 0.812 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000362917037 262086730 /nfs/dbraw/zinc/08/67/30/262086730.db2.gz JEXXDAIEIONWQP-VIFPVBQESA-N 0 0 314.354 0.894 10 0 DCAERN C[C@@H]1COCCN1C(=O)c1ccc(CN2CCOCC2)cn1 ZINC000341324795 253367595 /nfs/dbraw/zinc/36/75/95/253367595.db2.gz SMFLBGFSTJLNOL-CYBMUJFWSA-N 0 0 305.378 0.775 10 0 DCAERN CCN(Cc1nc(N(C)C)no1)[C@H](C)CS(=O)(=O)CC ZINC000185261545 285128317 /nfs/dbraw/zinc/12/83/17/285128317.db2.gz NHLDZNKVLMTZFA-SNVBAGLBSA-N 0 0 304.416 0.781 10 0 DCAERN COCC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCC1 ZINC000299743913 533116627 /nfs/dbraw/zinc/11/66/27/533116627.db2.gz MQEIBUCVJTYPKT-RKDXNWHRSA-N 0 0 308.300 0.925 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCSC[C@@H]2CCO)C1 ZINC000408011934 296395491 /nfs/dbraw/zinc/39/54/91/296395491.db2.gz XFTYPAHOYZVITK-NEPJUHHUSA-N 0 0 308.469 0.763 10 0 DCAERN COc1cc(OC)cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350616242 254318931 /nfs/dbraw/zinc/31/89/31/254318931.db2.gz PIPCLZCZQFWNJU-MRVPVSSYSA-N 0 0 302.352 0.111 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@H](C)S(N)(=O)=O)cc1C ZINC000350616826 254319024 /nfs/dbraw/zinc/31/90/24/254319024.db2.gz WSTLEXDJKLFJMD-NSHDSACASA-N 0 0 300.380 0.475 10 0 DCAERN C[C@H](CNC(=O)CSc1ccc(F)c(F)c1)S(N)(=O)=O ZINC000350615392 254319048 /nfs/dbraw/zinc/31/90/48/254319048.db2.gz FFORBMQMTGZWEB-SSDOTTSWSA-N 0 0 324.374 0.850 10 0 DCAERN COc1cc(CC(=O)NC[C@H](C)S(N)(=O)=O)ccc1C ZINC000350619682 254319374 /nfs/dbraw/zinc/31/93/74/254319374.db2.gz JZCPXEPILNIDCW-JTQLQIEISA-N 0 0 300.380 0.339 10 0 DCAERN Cc1noc(C)c1CSCC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350620429 254320028 /nfs/dbraw/zinc/32/00/28/254320028.db2.gz NNUUUHLFVIYFIV-ZETCQYMHSA-N 0 0 321.424 0.318 10 0 DCAERN C[C@@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)S(N)(=O)=O ZINC000350629551 254321143 /nfs/dbraw/zinc/32/11/43/254321143.db2.gz POEPTMOAULGAMX-LURJTMIESA-N 0 0 320.754 0.476 10 0 DCAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350627775 254321191 /nfs/dbraw/zinc/32/11/91/254321191.db2.gz FUVUTFFNDUGNDL-DTWKUNHWSA-N 0 0 320.798 0.901 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCCc1nccs1 ZINC000352725182 254427880 /nfs/dbraw/zinc/42/78/80/254427880.db2.gz AHAJSOPNVMJLRZ-UHFFFAOYSA-N 0 0 321.424 0.405 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000186830949 533221836 /nfs/dbraw/zinc/22/18/36/533221836.db2.gz JTDWTXRZAGEBDK-VXGBXAGGSA-N 0 0 318.377 0.886 10 0 DCAERN CCO[C@@H]1CO[C@@]2(C1)CCCN(C(=O)CS(C)(=O)=O)C2 ZINC000248320141 257107175 /nfs/dbraw/zinc/10/71/75/257107175.db2.gz RTRUFOQAKZECBN-WCQYABFASA-N 0 0 305.396 0.218 10 0 DCAERN CN(C)C(=O)COCC[C@H]1CCOC12CN(c1ncccn1)C2 ZINC000248029239 257110797 /nfs/dbraw/zinc/11/07/97/257110797.db2.gz SUYBTBNRUPUBGZ-ZDUSSCGKSA-N 0 0 320.393 0.567 10 0 DCAERN CN(C)C(=O)CO[C@H]1Cn2nccc2CN(c2ncccn2)C1 ZINC000247996768 257112249 /nfs/dbraw/zinc/11/22/49/257112249.db2.gz MVCFQIMKBLWPJL-CYBMUJFWSA-N 0 0 316.365 0.167 10 0 DCAERN COCCC(=O)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000247888616 257115565 /nfs/dbraw/zinc/11/55/65/257115565.db2.gz SKQLCOGWAQQYIY-ZIAGYGMSSA-N 0 0 303.362 0.535 10 0 DCAERN O=C1[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]2CN1c1cccnc1 ZINC000247855120 257116047 /nfs/dbraw/zinc/11/60/47/257116047.db2.gz JHKQIFNHWBAROJ-ZWNOBZJWSA-N 0 0 307.375 0.468 10 0 DCAERN O=C([C@@H]1CN(c2ncccn2)Cc2cncn21)N1CCCCO1 ZINC000247853372 257116077 /nfs/dbraw/zinc/11/60/77/257116077.db2.gz JNRLCZAORKZRQN-ZDUSSCGKSA-N 0 0 314.349 0.788 10 0 DCAERN O=C(NC[C@@H]1C[C@H]2CN(c3ncccn3)C[C@H]2O1)C1CCC1 ZINC000247449884 257119485 /nfs/dbraw/zinc/11/94/85/257119485.db2.gz ZMYAGVONSKNEGX-MELADBBJSA-N 0 0 302.378 0.987 10 0 DCAERN C[N@@H+]1C[C@H]2CN(C(=O)c3cnccn3)CCC[C@@]2(C(=O)[O-])C1 ZINC000253612788 257104440 /nfs/dbraw/zinc/10/44/40/257104440.db2.gz OBFVVDXXQJCDST-XHDPSFHLSA-N 0 0 304.350 0.345 10 0 DCAERN Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(CN3CCOCC3)C2)on1 ZINC000253600050 257104640 /nfs/dbraw/zinc/10/46/40/257104640.db2.gz DCQWPUWFLRGOOX-XJKSGUPXSA-N 0 0 321.377 0.404 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187713432 533580950 /nfs/dbraw/zinc/58/09/50/533580950.db2.gz HOWOKCOWCYYWTE-AWEZNQCLSA-N 0 0 321.421 0.310 10 0 DCAERN CCc1csc(CC(=O)N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000283070947 130957853 /nfs/dbraw/zinc/95/78/53/130957853.db2.gz DAILJRJWTAYJLI-SECBINFHSA-N 0 0 302.421 0.894 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284043081 131043456 /nfs/dbraw/zinc/04/34/56/131043456.db2.gz OXOZASYNSIZPKG-HZSPNIEDSA-N 0 0 307.398 0.386 10 0 DCAERN O=C(CCOc1ccccc1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284505543 131087363 /nfs/dbraw/zinc/08/73/63/131087363.db2.gz COOONTGIGHVNSY-HNNXBMFYSA-N 0 0 302.334 0.694 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cncc(-n2ccnn2)c1 ZINC000284515323 131088008 /nfs/dbraw/zinc/08/80/08/131088008.db2.gz FPGJPGUMPGWDSY-KBPBESRZSA-N 0 0 317.349 0.538 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)CN3CCCCC3=O)CCN2C)n1 ZINC000284628173 131098677 /nfs/dbraw/zinc/09/86/77/131098677.db2.gz LNCHZVXOFFFXOR-LBPRGKRZSA-N 0 0 321.381 0.206 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1=O ZINC000284699641 131104611 /nfs/dbraw/zinc/10/46/11/131104611.db2.gz QPWMRXXETLEBQQ-MISXGVKJSA-N 0 0 306.366 0.235 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000284826925 131113946 /nfs/dbraw/zinc/11/39/46/131113946.db2.gz CHJIDSNSVIPFGS-GFCCVEGCSA-N 0 0 318.160 0.841 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000285397570 131164348 /nfs/dbraw/zinc/16/43/48/131164348.db2.gz XPGLRXLYHOSGBD-MRXNPFEDSA-N 0 0 319.361 0.045 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(C2CCOCC2)CC1 ZINC000366709341 132122771 /nfs/dbraw/zinc/12/27/71/132122771.db2.gz OXVAGUVAVYBXFK-UHFFFAOYSA-N 0 0 321.377 0.614 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCOCC[C@H]2C)o1 ZINC000374990626 292015651 /nfs/dbraw/zinc/01/56/51/292015651.db2.gz USPWUVVEFUXDCQ-SECBINFHSA-N 0 0 303.336 0.866 10 0 DCAERN CCN1c2nc(-c3ccccc3)cnc2C(N)=NS1(=O)=O ZINC000026978897 134667272 /nfs/dbraw/zinc/66/72/72/134667272.db2.gz LDTCBPHUFTUMCI-UHFFFAOYSA-N 0 0 303.347 0.934 10 0 DCAERN COCC(=O)N1CCN(c2cc(OC)ccc2OC)C(=O)[C@H]1C ZINC000037522612 134702462 /nfs/dbraw/zinc/70/24/62/134702462.db2.gz IOIHXSAOXHWLJA-LLVKDONJSA-N 0 0 322.361 0.914 10 0 DCAERN COC[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000010463008 395686120 /nfs/dbraw/zinc/68/61/20/395686120.db2.gz LMJWIRYPTCZMOE-GFCCVEGCSA-N 0 0 314.407 0.815 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684792 395701511 /nfs/dbraw/zinc/70/15/11/395701511.db2.gz JVLNMAMFVPNCOD-CMPLNLGQSA-N 0 0 312.391 0.940 10 0 DCAERN C[C@@H](Sc1nnc(C2CC2)[nH]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000030628273 395703477 /nfs/dbraw/zinc/70/34/77/395703477.db2.gz UDXARGGNITUZJR-MRVPVSSYSA-N 0 0 323.422 0.900 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000031219666 395705911 /nfs/dbraw/zinc/70/59/11/395705911.db2.gz SCMWSLJEWPUMLA-UHFFFAOYSA-N 0 0 314.382 0.913 10 0 DCAERN CC(=O)NCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031240677 395706009 /nfs/dbraw/zinc/70/60/09/395706009.db2.gz BFHRZAXJUGWXNA-AWEZNQCLSA-N 0 0 317.389 0.990 10 0 DCAERN O=C(c1ccncc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000031280105 395706404 /nfs/dbraw/zinc/70/64/04/395706404.db2.gz PFJSZKAAOALHBC-UHFFFAOYSA-N 0 0 303.362 0.793 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)NCc1nnc2ccccn21 ZINC000088767489 395708055 /nfs/dbraw/zinc/70/80/55/395708055.db2.gz GJRRKLSJBXCHQO-NSHDSACASA-N 0 0 309.395 0.938 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)N3CC[C@@H](C)[C@@H](O)C3)cnc12 ZINC000089400681 395710968 /nfs/dbraw/zinc/71/09/68/395710968.db2.gz LGGMEZKUZBFCCL-RISCZKNCSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)C[C@@H]1O ZINC000089426800 395711741 /nfs/dbraw/zinc/71/17/41/395711741.db2.gz YASIHYGMAVHUQX-FZMZJTMJSA-N 0 0 303.362 0.569 10 0 DCAERN CNC(=O)NCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000089573495 395713299 /nfs/dbraw/zinc/71/32/99/395713299.db2.gz WAKSHUDKEMDDTE-LLVKDONJSA-N 0 0 301.350 0.979 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](C)[C@@H](O)C3)cnc12 ZINC000091083408 395721407 /nfs/dbraw/zinc/72/14/07/395721407.db2.gz BQZVIZNMFYARRV-GWCFXTLKSA-N 0 0 301.346 0.846 10 0 DCAERN COCCCOCCN(C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000091102276 395721451 /nfs/dbraw/zinc/72/14/51/395721451.db2.gz TYLOXTQDQZPHIC-AWEZNQCLSA-N 0 0 324.425 0.819 10 0 DCAERN COCO[C@@H]([C@H]1COC(C)(C)O1)[C@@H]1OC(C)(C)O[C@H]1C=O ZINC000036376453 395723260 /nfs/dbraw/zinc/72/32/60/395723260.db2.gz WMFFNYIVQYWSDA-WHOHXGKFSA-N 0 0 304.339 0.846 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCO[C@H]1C ZINC000092349609 395730367 /nfs/dbraw/zinc/73/03/67/395730367.db2.gz XJHKCPZCYCYGJJ-GWCFXTLKSA-N 0 0 324.402 0.909 10 0 DCAERN COCC[N@@H+]1C[C@@H]2CN(Cc3[nH]cnc3C)C[C@]2(C(=O)[O-])C1 ZINC000096165106 395746628 /nfs/dbraw/zinc/74/66/28/395746628.db2.gz TVGOJZHWCJEUQN-IUODEOHRSA-N 0 0 308.382 0.183 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000042747156 395748373 /nfs/dbraw/zinc/74/83/73/395748373.db2.gz PZYMIVMIMOMYSV-PWSUYJOCSA-N 0 0 324.402 0.896 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097142431 395754970 /nfs/dbraw/zinc/75/49/70/395754970.db2.gz OLWCKTTWTHJAAN-LBPRGKRZSA-N 0 0 308.363 0.657 10 0 DCAERN O=C(NCCCO)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000042902234 395750362 /nfs/dbraw/zinc/75/03/62/395750362.db2.gz SSMYIDCAVDHFLB-UHFFFAOYSA-N 0 0 305.378 0.973 10 0 DCAERN COC(=O)[C@H]1O[C@@H](Sc2ccc(C)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000106384154 395782897 /nfs/dbraw/zinc/78/28/97/395782897.db2.gz KIEJIDLAINZJJS-MOWSAHLDSA-N 0 0 314.359 0.068 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000194120411 395788684 /nfs/dbraw/zinc/78/86/84/395788684.db2.gz GOPWDDPIZZWUOL-GFCCVEGCSA-N 0 0 324.356 0.074 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000101437733 395764150 /nfs/dbraw/zinc/76/41/50/395764150.db2.gz YATDDJNPIHGIIX-CHWSQXEVSA-N 0 0 319.409 0.843 10 0 DCAERN Cn1nccc1CNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000045959362 395769028 /nfs/dbraw/zinc/76/90/28/395769028.db2.gz GHVRDZIVFIVVLR-UHFFFAOYSA-N 0 0 307.354 0.147 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2cnn(C)c2)C[C@H](C)O1 ZINC000102662009 395771216 /nfs/dbraw/zinc/77/12/16/395771216.db2.gz VWDGFHMMRSCSEZ-TXEJJXNPSA-N 0 0 316.427 0.296 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCCc2cnn(C)c2)C1 ZINC000102661987 395771344 /nfs/dbraw/zinc/77/13/44/395771344.db2.gz PQKJVMVAZDFEKT-GFCCVEGCSA-N 0 0 300.428 0.919 10 0 DCAERN CN1CCO[C@H](CNC(=O)CCc2nc(-c3ccco3)no2)C1 ZINC000194619425 395802512 /nfs/dbraw/zinc/80/25/12/395802512.db2.gz FMEPANGQTJQJLB-LLVKDONJSA-N 0 0 320.349 0.709 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(C)s1 ZINC000194733582 395805519 /nfs/dbraw/zinc/80/55/19/395805519.db2.gz XNFDZHLXFXHHPS-LLVKDONJSA-N 0 0 304.437 0.974 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1ccc(C)cc1=O ZINC000194815606 395808608 /nfs/dbraw/zinc/80/86/08/395808608.db2.gz RZMQEALGXZKWPL-LBPRGKRZSA-N 0 0 301.350 0.708 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000194863947 395810072 /nfs/dbraw/zinc/81/00/72/395810072.db2.gz PAFLBEANYLAMHP-CQSZACIVSA-N 0 0 319.380 0.996 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649615 395811359 /nfs/dbraw/zinc/81/13/59/395811359.db2.gz AQCNUNFNRXINMD-AWEZNQCLSA-N 0 0 322.409 0.805 10 0 DCAERN CC1=C(C(=O)NCc2ccnn2C)[C@H](C)n2ncnc2N1C ZINC000195100024 395815901 /nfs/dbraw/zinc/81/59/01/395815901.db2.gz JBIRFZJJCRYRBB-JTQLQIEISA-N 0 0 301.354 0.613 10 0 DCAERN NC(=S)N/N=C1\NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 ZINC000048547860 395817108 /nfs/dbraw/zinc/81/71/08/395817108.db2.gz ZOMOEOOCSRPOGZ-VMPITWQZSA-N 0 0 323.359 0.903 10 0 DCAERN Cn1ncc(C(=O)N[C@H]2CCc3ncnn3C2)c1-n1cccc1 ZINC000112649117 395819915 /nfs/dbraw/zinc/81/99/15/395819915.db2.gz XVRYJLMGWDEHIJ-NSHDSACASA-N 0 0 311.349 0.547 10 0 DCAERN CC1(CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)COC1 ZINC000112693955 395821902 /nfs/dbraw/zinc/82/19/02/395821902.db2.gz MDBDCVTWPWSOJC-UHFFFAOYSA-N 0 0 317.345 0.233 10 0 DCAERN COc1cc(OC)c(CNS(=O)(=O)N(C)C)c(OC)c1 ZINC000048672034 395822103 /nfs/dbraw/zinc/82/21/03/395822103.db2.gz SAPVCRBNWILMKU-UHFFFAOYSA-N 0 0 304.368 0.608 10 0 DCAERN CCOCCOCC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195300133 395823829 /nfs/dbraw/zinc/82/38/29/395823829.db2.gz VMOIRKHYRIXKPV-CYBMUJFWSA-N 0 0 322.409 0.983 10 0 DCAERN COC(=O)CCCCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112744223 395824140 /nfs/dbraw/zinc/82/41/40/395824140.db2.gz GWZFYZJJLYKCGE-LLVKDONJSA-N 0 0 309.370 0.626 10 0 DCAERN CC(C)CNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429223 395826475 /nfs/dbraw/zinc/82/64/75/395826475.db2.gz CAIWXZQRPLMQBN-SNVBAGLBSA-N 0 0 317.415 0.330 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCOC2)ccc1Cl ZINC000113200364 395828264 /nfs/dbraw/zinc/82/82/64/395828264.db2.gz FOQAJBDUIHKKPY-VIFPVBQESA-N 0 0 318.782 0.896 10 0 DCAERN C[C@@H](NC(=O)CN1CCC(c2cc[nH]n2)CC1)C(=O)N(C)C ZINC000195507229 395830158 /nfs/dbraw/zinc/83/01/58/395830158.db2.gz IGVQQYOQGQEADI-LLVKDONJSA-N 0 0 307.398 0.182 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCNC3=O)C2)no1 ZINC000195517848 395830209 /nfs/dbraw/zinc/83/02/09/395830209.db2.gz NVFDVVFLWGPPEX-NSHDSACASA-N 0 0 307.354 0.184 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000115389504 395839396 /nfs/dbraw/zinc/83/93/96/395839396.db2.gz ZFMPXXSUZYVRFK-UHFFFAOYSA-N 0 0 303.370 0.113 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NCCn2cc(C)cn2)c1 ZINC000117927465 395856504 /nfs/dbraw/zinc/85/65/04/395856504.db2.gz KOLUEAYWKCISLS-UHFFFAOYSA-N 0 0 323.374 0.957 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000194242029 395792084 /nfs/dbraw/zinc/79/20/84/395792084.db2.gz IDUHBCSBKNIQSI-XVKPBYJWSA-N 0 0 316.404 0.406 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000194233637 395792170 /nfs/dbraw/zinc/79/21/70/395792170.db2.gz OVTJUPVKNCXEQH-SKDRFNHKSA-N 0 0 300.318 0.991 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C ZINC000194399751 395795740 /nfs/dbraw/zinc/79/57/40/395795740.db2.gz DEMAGWLPHCZUBF-MCIONIFRSA-N 0 0 311.426 0.613 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccc(C)n1 ZINC000194409589 395796256 /nfs/dbraw/zinc/79/62/56/395796256.db2.gz INUNRERGIUJJSI-LLVKDONJSA-N 0 0 312.395 0.928 10 0 DCAERN Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194602572 395800493 /nfs/dbraw/zinc/80/04/93/395800493.db2.gz PNKPNLQNRHWXBI-LLVKDONJSA-N 0 0 316.352 0.884 10 0 DCAERN Cc1cnn(CCNC(=O)NCCCN2C(=O)CCC2=O)c1 ZINC000118072729 395858067 /nfs/dbraw/zinc/85/80/67/395858067.db2.gz PBHMGTGUZHRTIO-UHFFFAOYSA-N 0 0 307.354 0.030 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)NCCc1nccs1 ZINC000234617815 395890058 /nfs/dbraw/zinc/89/00/58/395890058.db2.gz CVHFHMKNUPOTJR-VHSXEESVSA-N 0 0 318.420 0.947 10 0 DCAERN O=C(Nc1cnc(C2CC2)nc1)C(=O)N1CCN(C2CC2)CC1 ZINC000122904389 395890204 /nfs/dbraw/zinc/89/02/04/395890204.db2.gz RLXJCMPNUNNKMS-UHFFFAOYSA-N 0 0 315.377 0.599 10 0 DCAERN Cc1cnc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)s1 ZINC000123339077 395893718 /nfs/dbraw/zinc/89/37/18/395893718.db2.gz YLFZCLCBVVBVGE-VIFPVBQESA-N 0 0 312.395 0.227 10 0 DCAERN CC(C)(CNC(=O)[C@@H]1COCCN1)c1ccc2c(c1)OCCO2 ZINC000236676644 395895960 /nfs/dbraw/zinc/89/59/60/395895960.db2.gz KFJFFSIAOMOEJV-ZDUSSCGKSA-N 0 0 320.389 0.840 10 0 DCAERN CN(CCCNC(=O)N[C@@H]1CCC(=O)N(C)C1)CC(F)(F)F ZINC000124086004 395900029 /nfs/dbraw/zinc/90/00/29/395900029.db2.gz JXBLZGDNMFYUIG-SNVBAGLBSA-N 0 0 324.347 0.791 10 0 DCAERN Cn1cc(CNC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000054811997 395905776 /nfs/dbraw/zinc/90/57/76/395905776.db2.gz JVOHGQNLPWBMRN-ZDUSSCGKSA-N 0 0 315.381 0.678 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(C(N)=O)cs1 ZINC000125811903 395906338 /nfs/dbraw/zinc/90/63/38/395906338.db2.gz XHHDRGXNIFVMOQ-ZCFIWIBFSA-N 0 0 308.319 0.592 10 0 DCAERN C=CC(=O)NCCNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000273213051 395907393 /nfs/dbraw/zinc/90/73/93/395907393.db2.gz QIGBQPCWGOEVQC-UHFFFAOYSA-N 0 0 304.272 0.868 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000125984357 395908373 /nfs/dbraw/zinc/90/83/73/395908373.db2.gz ZLKLEPHDUIOBOK-UHFFFAOYSA-N 0 0 313.423 0.947 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccsc1 ZINC000055134163 395912396 /nfs/dbraw/zinc/91/23/96/395912396.db2.gz BIHAFXDGTOVUHC-UHFFFAOYSA-N 0 0 311.407 0.851 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)on1 ZINC000055232253 395913921 /nfs/dbraw/zinc/91/39/21/395913921.db2.gz PDNQYJAQVAMSKB-GFCCVEGCSA-N 0 0 307.350 0.694 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N(C)CC(=O)NC(C)(C)C ZINC000127059447 395914053 /nfs/dbraw/zinc/91/40/53/395914053.db2.gz KYQHUXMOXVZXFL-GFCCVEGCSA-N 0 0 301.431 0.764 10 0 DCAERN CSC[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131968662 395925803 /nfs/dbraw/zinc/92/58/03/395925803.db2.gz QDQWGKMBFVVMAS-VIFPVBQESA-N 0 0 307.375 0.558 10 0 DCAERN COCCCN(CCOC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000131965452 395925935 /nfs/dbraw/zinc/92/59/35/395925935.db2.gz FWJMXYVAQCAWHP-UHFFFAOYSA-N 0 0 321.377 0.841 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CN1CCc2sccc2C1 ZINC000052432870 395863253 /nfs/dbraw/zinc/86/32/53/395863253.db2.gz CNHKAMGQWBIHSV-LBPRGKRZSA-N 0 0 307.419 0.843 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000119056141 395867200 /nfs/dbraw/zinc/86/72/00/395867200.db2.gz BDCFBAMWRQQCGR-LLVKDONJSA-N 0 0 318.255 0.712 10 0 DCAERN CCOC(=O)CCN(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060558 395870679 /nfs/dbraw/zinc/87/06/79/395870679.db2.gz PPNVTUJEOXVALG-UHFFFAOYSA-N 0 0 309.775 0.647 10 0 DCAERN CCS[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)C(C)C ZINC000133076401 395928233 /nfs/dbraw/zinc/92/82/33/395928233.db2.gz WQDWYAQVZCKEBG-CHWSQXEVSA-N 0 0 304.456 0.573 10 0 DCAERN CS(=O)(=O)NCCCNc1ncncc1Br ZINC000230205356 395879558 /nfs/dbraw/zinc/87/95/58/395879558.db2.gz AIARGYSPQHGWRG-UHFFFAOYSA-N 0 0 309.189 0.590 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000245757985 395935823 /nfs/dbraw/zinc/93/58/23/395935823.db2.gz DZLWHRUAJWYWLX-JHJVBQTASA-N 0 0 318.377 0.915 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000248852136 395998788 /nfs/dbraw/zinc/99/87/88/395998788.db2.gz JPMSWELVJPULDF-UMVBOHGHSA-N 0 0 323.437 0.470 10 0 DCAERN CN1C[C@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135305092 395939727 /nfs/dbraw/zinc/93/97/27/395939727.db2.gz DZKUNYSQJYGLMF-NEPJUHHUSA-N 0 0 303.366 0.040 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000246195365 395943970 /nfs/dbraw/zinc/94/39/70/395943970.db2.gz TVFRPFYPIWXBNR-GHMZBOCLSA-N 0 0 308.407 0.836 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000136331747 395945996 /nfs/dbraw/zinc/94/59/96/395945996.db2.gz FMDUXEIZVMFGPC-LLVKDONJSA-N 0 0 316.357 0.902 10 0 DCAERN COCCN(CCO)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246355228 395947935 /nfs/dbraw/zinc/94/79/35/395947935.db2.gz DORFUWAHHKGUCQ-ZIAGYGMSSA-N 0 0 300.399 0.097 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000246493337 395951497 /nfs/dbraw/zinc/95/14/97/395951497.db2.gz KAHRBKNXBBODGT-BFHYXJOUSA-N 0 0 300.399 0.407 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246801874 395957718 /nfs/dbraw/zinc/95/77/18/395957718.db2.gz RGNKXMPFLMVFLC-BFHYXJOUSA-N 0 0 302.415 0.342 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000274558904 395958577 /nfs/dbraw/zinc/95/85/77/395958577.db2.gz IWWQWDOJBDUKGS-VHSXEESVSA-N 0 0 321.424 0.099 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCCSCC2)cn1 ZINC000274569167 395959461 /nfs/dbraw/zinc/95/94/61/395959461.db2.gz AOEOKXOJIZGGRJ-UHFFFAOYSA-N 0 0 315.420 0.569 10 0 DCAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000246965966 395962806 /nfs/dbraw/zinc/96/28/06/395962806.db2.gz LMPBKJSNJXXCRM-APPZFPTMSA-N 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/nfs/dbraw/zinc/97/67/61/395976761.db2.gz UPGIKLAQLBNBBM-RQJABVFESA-N 0 0 312.410 0.944 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247617971 395977281 /nfs/dbraw/zinc/97/72/81/395977281.db2.gz STMGEIWCWVHNRO-RVMXOQNASA-N 0 0 301.408 0.885 10 0 DCAERN CSC[C@](C)(O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000151084552 395978804 /nfs/dbraw/zinc/97/88/04/395978804.db2.gz QWWGUPYRPOKUQQ-NOZJJQNGSA-N 0 0 300.380 0.628 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000151140095 395979736 /nfs/dbraw/zinc/97/97/36/395979736.db2.gz CXLQYFVRKZGYKF-SFYZADRCSA-N 0 0 307.375 0.959 10 0 DCAERN O=C1NC[C@H]2CN(C[C@H](O)c3cccc(Cl)c3)CCN2C1=O ZINC000248147610 395983220 /nfs/dbraw/zinc/98/32/20/395983220.db2.gz QIIKNIHNMIMYJJ-STQMWFEESA-N 0 0 323.780 0.016 10 0 DCAERN Cc1noc(CCNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000151467144 395986003 /nfs/dbraw/zinc/98/60/03/395986003.db2.gz ASJJDIDZRWNSPW-GHMZBOCLSA-N 0 0 307.354 0.373 10 0 DCAERN COC[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C1CC1 ZINC000151511871 395987506 /nfs/dbraw/zinc/98/75/06/395987506.db2.gz WXKASOYAUADKLH-CQSZACIVSA-N 0 0 301.346 0.938 10 0 DCAERN O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000152167469 396001667 /nfs/dbraw/zinc/00/16/67/396001667.db2.gz NKBZETINOKHSFC-CYBMUJFWSA-N 0 0 312.329 0.336 10 0 DCAERN CC(=O)NC1(C(=O)NCCc2nnc3n2CCC3)CCCCC1 ZINC000065011203 395990699 /nfs/dbraw/zinc/99/06/99/395990699.db2.gz LIIXLTMPMJEPGY-UHFFFAOYSA-N 0 0 319.409 0.722 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1)c1ccccc1 ZINC000151720346 395991614 /nfs/dbraw/zinc/99/16/14/395991614.db2.gz YHCIEQSSBMVKPL-GXTWGEPZSA-N 0 0 323.418 0.829 10 0 DCAERN C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](C)C1 ZINC000248733559 395996222 /nfs/dbraw/zinc/99/62/22/395996222.db2.gz MBCHMIQEYVMXPY-NEPJUHHUSA-N 0 0 308.382 0.304 10 0 DCAERN CCn1cc([C@H]2CN(C[C@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000248789793 395996946 /nfs/dbraw/zinc/99/69/46/395996946.db2.gz NISLOVBEHHUKMQ-GXTWGEPZSA-N 0 0 315.439 0.957 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000151952588 395997830 /nfs/dbraw/zinc/99/78/30/395997830.db2.gz ZHNNCFWSXPTNTH-KGLIPLIRSA-N 0 0 306.362 0.845 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000248811819 395997934 /nfs/dbraw/zinc/99/79/34/395997934.db2.gz SUCWIAHZFBARHZ-USWWRNFRSA-N 0 0 312.395 0.310 10 0 DCAERN O=C(NCCc1nnc2n1CCC2)c1cccc2c1OCCO2 ZINC000067208791 396022784 /nfs/dbraw/zinc/02/27/84/396022784.db2.gz QTMCLNVTKUAYCA-UHFFFAOYSA-N 0 0 314.345 0.968 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H]1CCCO1 ZINC000069139730 396071287 /nfs/dbraw/zinc/07/12/87/396071287.db2.gz MCUXMDWIRJOPQN-QMMMGPOBSA-N 0 0 304.393 0.613 10 0 DCAERN COC(=O)c1coc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000253354308 396026502 /nfs/dbraw/zinc/02/65/02/396026502.db2.gz WJQKZIFYIQPDOB-QWRGUYRKSA-N 0 0 310.350 0.593 10 0 DCAERN CCN1CCO[C@H](C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000154008488 396029145 /nfs/dbraw/zinc/02/91/45/396029145.db2.gz KDFCOGSRWIGUFU-JTQLQIEISA-N 0 0 320.315 0.776 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C)C1 ZINC000253601175 396031375 /nfs/dbraw/zinc/03/13/75/396031375.db2.gz LEXDBLVKNMTCTJ-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN CCN(C[C@H]1CCCO1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067716967 396031866 /nfs/dbraw/zinc/03/18/66/396031866.db2.gz KECVILDOBXMASO-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN COC(=O)C1(NC[C@@H](O)CN2CCOCC2)CCCCCC1 ZINC000154769747 396042144 /nfs/dbraw/zinc/04/21/44/396042144.db2.gz OWWMWVIUVSWUCP-CQSZACIVSA-N 0 0 314.426 0.535 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCn2cnnc2[C@H]1C ZINC000277003449 396043904 /nfs/dbraw/zinc/04/39/04/396043904.db2.gz XZPOCPNFZAJKQT-ZJUUUORDSA-N 0 0 309.395 0.493 10 0 DCAERN COc1ccccc1N1CC[C@@H](NS(=O)(=O)C2COC2)C1 ZINC000277043557 396046061 /nfs/dbraw/zinc/04/60/61/396046061.db2.gz KSCOSLSRMRFOSG-LLVKDONJSA-N 0 0 312.391 0.592 10 0 DCAERN C[C@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000155466358 396051704 /nfs/dbraw/zinc/05/17/04/396051704.db2.gz KMNNSHBFEYTSNK-CABZTGNLSA-N 0 0 300.355 0.471 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000155502871 396052492 /nfs/dbraw/zinc/05/24/92/396052492.db2.gz QODLQQBTQWMSNV-UHFFFAOYSA-N 0 0 311.407 0.797 10 0 DCAERN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000261856633 396072773 /nfs/dbraw/zinc/07/27/73/396072773.db2.gz ABACTNGNANVSDR-STQMWFEESA-N 0 0 323.343 0.901 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000155550559 396054308 /nfs/dbraw/zinc/05/43/08/396054308.db2.gz FKQDCQWPYUASPY-NSHDSACASA-N 0 0 301.350 0.923 10 0 DCAERN Nc1ncc(CN2CCCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000261676728 396055663 /nfs/dbraw/zinc/05/56/63/396055663.db2.gz PXJBWNPAQPMOSK-UHFFFAOYSA-N 0 0 316.452 0.725 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155706055 396056292 /nfs/dbraw/zinc/05/62/92/396056292.db2.gz SDJDJLMRYJIMLE-HLTSFMKQSA-N 0 0 316.404 0.754 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@@H](O)C(C)C)c1 ZINC000155736497 396057179 /nfs/dbraw/zinc/05/71/79/396057179.db2.gz MSLSVCQPUZSHGP-CQSZACIVSA-N 0 0 307.394 0.905 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159327310 396067633 /nfs/dbraw/zinc/06/76/33/396067633.db2.gz SKKVQZGKHMZVHL-LLVKDONJSA-N 0 0 301.412 0.964 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@H]1CO ZINC000249107422 396002829 /nfs/dbraw/zinc/00/28/29/396002829.db2.gz QRXOYHGPHVBAQA-IPYPFGDCSA-N 0 0 321.425 0.801 10 0 DCAERN CSCCCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000152397831 396008299 /nfs/dbraw/zinc/00/82/99/396008299.db2.gz JXBSUOWNNABBQT-CYBMUJFWSA-N 0 0 313.467 0.895 10 0 DCAERN NC(=O)c1cncc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000249447482 396008347 /nfs/dbraw/zinc/00/83/47/396008347.db2.gz LLMVBMWLXLXFJV-QWRGUYRKSA-N 0 0 304.375 0.849 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249630610 396010510 /nfs/dbraw/zinc/01/05/10/396010510.db2.gz 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/nfs/dbraw/zinc/27/26/35/396272635.db2.gz ZUWNGHILTDIGDB-CABZTGNLSA-N 0 0 322.413 0.355 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000264372744 396274697 /nfs/dbraw/zinc/27/46/97/396274697.db2.gz AUPWPKLBVFNZHB-SECBINFHSA-N 0 0 324.358 0.322 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2ccc([S@](C)=O)cc2)CCC1=O ZINC000080147429 396275563 /nfs/dbraw/zinc/27/55/63/396275563.db2.gz XQPICHTWXVPHHW-AMXDTQDGSA-N 0 0 323.418 0.844 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CC[C@H](C)O3)CC2)ncn1 ZINC000183833657 396276012 /nfs/dbraw/zinc/27/60/12/396276012.db2.gz GMLFHXORNVOVKH-RYUDHWBXSA-N 0 0 306.366 0.701 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000183988338 396279897 /nfs/dbraw/zinc/27/98/97/396279897.db2.gz DPFRXLCVVGFUFM-QPUJVOFHSA-N 0 0 307.325 0.991 10 0 DCAERN CC(=O)N[C@H]1CCCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000077169911 396213438 /nfs/dbraw/zinc/21/34/38/396213438.db2.gz AOUMGAFGJJUPHP-ONGXEEELSA-N 0 0 307.402 0.181 10 0 DCAERN 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10 0 DCAERN Cc1nccc(N2CCN(C(=O)NCC3(C)COC3)CC2)n1 ZINC000184998998 396313316 /nfs/dbraw/zinc/31/33/16/396313316.db2.gz SXEJPXGOKWCKEO-UHFFFAOYSA-N 0 0 305.382 0.653 10 0 DCAERN Cn1cc(-c2cc(CN3CCN4C(=O)NC[C@@H]4C3)on2)cn1 ZINC000185020364 396314377 /nfs/dbraw/zinc/31/43/77/396314377.db2.gz QZQRIXHZEOIPDB-LLVKDONJSA-N 0 0 302.338 0.285 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCc2cnn(C)c2)CC1 ZINC000185046391 396314944 /nfs/dbraw/zinc/31/49/44/396314944.db2.gz SBYOGZGBYJAWRN-HNNXBMFYSA-N 0 0 323.441 0.451 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000185033968 396314964 /nfs/dbraw/zinc/31/49/64/396314964.db2.gz TWUUDYLLCZRLRH-UONOGXRCSA-N 0 0 321.421 0.572 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC2(C)COC2)cc1 ZINC000083551054 396315610 /nfs/dbraw/zinc/31/56/10/396315610.db2.gz LFSMTLOAHIWIQH-UHFFFAOYSA-N 0 0 313.375 0.717 10 0 DCAERN Cn1cc(-c2cc(CSCCN3C(=O)CNC3=O)on2)cn1 ZINC000184076252 396284019 /nfs/dbraw/zinc/28/40/19/396284019.db2.gz HWIGNAYNCMVZFN-UHFFFAOYSA-N 0 0 321.362 0.860 10 0 DCAERN CC(C)Oc1nccnc1N(C)C[C@H](O)CN1CCOCC1 ZINC000184132846 396286348 /nfs/dbraw/zinc/28/63/48/396286348.db2.gz QGIJQCSBKPJMRP-ZDUSSCGKSA-N 0 0 310.398 0.393 10 0 DCAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(CO)C1 ZINC000184209923 396287804 /nfs/dbraw/zinc/28/78/04/396287804.db2.gz TUGXDCZDMMXIPL-MRXNPFEDSA-N 0 0 315.373 0.666 10 0 DCAERN CC(C)[C@H](C(=O)N1CC(CO)C1)N1C(=O)c2ccccc2C1=O ZINC000184222272 396288217 /nfs/dbraw/zinc/28/82/17/396288217.db2.gz CQZXEHHHDZHTBH-CQSZACIVSA-N 0 0 316.357 0.758 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000282408825 396288233 /nfs/dbraw/zinc/28/82/33/396288233.db2.gz YCTZFHQJVIRZEZ-NSHDSACASA-N 0 0 303.362 0.990 10 0 DCAERN CCNC(=O)CNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184260147 396289037 /nfs/dbraw/zinc/28/90/37/396289037.db2.gz ICAVCFJEPWRVSE-UHFFFAOYSA-N 0 0 305.382 0.439 10 0 DCAERN CCc1cc(N2CC(=O)N(C)C(=O)C2)nc(-c2ccncc2)n1 ZINC000184294375 396290509 /nfs/dbraw/zinc/29/05/09/396290509.db2.gz UBABDFWVLMMURN-UHFFFAOYSA-N 0 0 311.345 0.906 10 0 DCAERN C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)c1nnc2ccccn21 ZINC000184356696 396292526 /nfs/dbraw/zinc/29/25/26/396292526.db2.gz OKODDBAZJHXWBI-AXFHLTTASA-N 0 0 310.379 0.887 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1(C)C ZINC000081242245 396295557 /nfs/dbraw/zinc/29/55/57/396295557.db2.gz WEQZTLZFSXQPGX-LBPRGKRZSA-N 0 0 309.410 0.713 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000184443236 396296024 /nfs/dbraw/zinc/29/60/24/396296024.db2.gz HTBOUCBHJBXPJJ-ABAIWWIYSA-N 0 0 308.382 0.990 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCO2)[nH]1 ZINC000184456925 396296212 /nfs/dbraw/zinc/29/62/12/396296212.db2.gz JNSKHIYEAVFEJZ-NSHDSACASA-N 0 0 302.338 0.927 10 0 DCAERN Cc1ccc(CN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185175985 396320286 /nfs/dbraw/zinc/32/02/86/396320286.db2.gz VSGGEVGHAWWJAU-SJORKVTESA-N 0 0 318.417 0.914 10 0 DCAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc2nnn(C)c2c1 ZINC000184787453 396306051 /nfs/dbraw/zinc/30/60/51/396306051.db2.gz FSYDACWWWWXFRW-CMPLNLGQSA-N 0 0 304.350 0.892 10 0 DCAERN O=C(NCC1(CO)CCC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000184876854 396309298 /nfs/dbraw/zinc/30/92/98/396309298.db2.gz LLMRCHVJEONQEH-ZDUSSCGKSA-N 0 0 319.409 0.907 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCCCn2ccnc2C)C1 ZINC000185514832 396329436 /nfs/dbraw/zinc/32/94/36/396329436.db2.gz GNVXCGWIZMQOHF-UHFFFAOYSA-N 0 0 323.397 0.128 10 0 DCAERN O=C(N[C@H]1CCO[C@H]1c1ccccc1)N1C[C@@H](O)C[C@H]1CO ZINC000185585157 396330677 /nfs/dbraw/zinc/33/06/77/396330677.db2.gz QZDINDKCDNZYLU-AJNGGQMLSA-N 0 0 306.362 0.654 10 0 DCAERN CC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1nccs1 ZINC000185481875 396328794 /nfs/dbraw/zinc/32/87/94/396328794.db2.gz ZQPMBGDIFWGBNC-SNVBAGLBSA-N 0 0 312.395 0.751 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)cc21 ZINC000185494065 396328900 /nfs/dbraw/zinc/32/89/00/396328900.db2.gz PBNNTEWBGRPMGU-YPMHNXCESA-N 0 0 313.361 0.852 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(C)noc2CC)C1 ZINC000185959284 396337557 /nfs/dbraw/zinc/33/75/57/396337557.db2.gz WXEYWXKVMTYDJI-JTQLQIEISA-N 0 0 315.395 0.699 10 0 DCAERN Cc1noc([C@H]2COCCN2S(=O)(=O)N(C)C(C)C)n1 ZINC000186345057 396347950 /nfs/dbraw/zinc/34/79/50/396347950.db2.gz YAUHSADVKGKBBE-SNVBAGLBSA-N 0 0 304.372 0.336 10 0 DCAERN CCN(C)C(=O)CNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000186228711 396345387 /nfs/dbraw/zinc/34/53/87/396345387.db2.gz BPXXTXANIBVRCI-UHFFFAOYSA-N 0 0 320.397 0.223 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000284416775 396345465 /nfs/dbraw/zinc/34/54/65/396345465.db2.gz DLZINCAUMUWEFM-LBPRGKRZSA-N 0 0 318.420 0.311 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000284715372 396346212 /nfs/dbraw/zinc/34/62/12/396346212.db2.gz KZHBHJDTNWCUFC-LBPRGKRZSA-N 0 0 318.782 0.341 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)CCSc1nnnn1C ZINC000186659849 396354750 /nfs/dbraw/zinc/35/47/50/396354750.db2.gz ULUYJRLBAWHKJH-JTQLQIEISA-N 0 0 301.416 0.558 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000186677298 396355553 /nfs/dbraw/zinc/35/55/53/396355553.db2.gz SKAVXOHPSWZNQG-JQWIXIFHSA-N 0 0 306.366 0.776 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000187019583 396361845 /nfs/dbraw/zinc/36/18/45/396361845.db2.gz BGUVMROFKUZDBJ-ZJUUUORDSA-N 0 0 313.320 0.272 10 0 DCAERN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C[C@@H]1CCCO1 ZINC000187811304 396374789 /nfs/dbraw/zinc/37/47/89/396374789.db2.gz CPNNKQCQJRJAAH-XQQFMLRXSA-N 0 0 318.439 0.131 10 0 DCAERN O=C(c1c[nH]c(=S)[nH]1)N1CCCN(c2cccnn2)CC1 ZINC000187107668 396363670 /nfs/dbraw/zinc/36/36/70/396363670.db2.gz GWIROLNUTKUCSD-UHFFFAOYSA-N 0 0 304.379 0.841 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187140203 396363796 /nfs/dbraw/zinc/36/37/96/396363796.db2.gz VDPTUTJWKZTEFQ-OAQYLSRUSA-N 0 0 315.439 0.454 10 0 DCAERN CC(F)(F)c1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000187607475 396371416 /nfs/dbraw/zinc/37/14/16/396371416.db2.gz PCTMYQGUADKCKH-SNVBAGLBSA-N 0 0 302.277 0.206 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186430435 396349952 /nfs/dbraw/zinc/34/99/52/396349952.db2.gz FTWNTUMYTSFZRC-SNVBAGLBSA-N 0 0 324.327 0.911 10 0 DCAERN Cn1cc(NC(=O)N2CC(NC(=O)C3CCC3)C2)ccc1=O ZINC000186477581 396350579 /nfs/dbraw/zinc/35/05/79/396350579.db2.gz UUPIKOFKMZDIJU-UHFFFAOYSA-N 0 0 304.350 0.518 10 0 DCAERN C[C@@H](C(=O)N1CC(NC(=O)C2CCC2)C1)N1CCSCC1 ZINC000188516731 396383145 /nfs/dbraw/zinc/38/31/45/396383145.db2.gz JVUWUCINUQOWAK-NSHDSACASA-N 0 0 311.451 0.551 10 0 DCAERN COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000188666780 396384390 /nfs/dbraw/zinc/38/43/90/396384390.db2.gz XNXFARGUDAPVEF-GAJTVXKRSA-N 0 0 324.352 0.993 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000188813964 396387100 /nfs/dbraw/zinc/38/71/00/396387100.db2.gz HOOAOIZWXLTAKA-LBPRGKRZSA-N 0 0 308.378 0.930 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 ZINC000189030066 396389958 /nfs/dbraw/zinc/38/99/58/396389958.db2.gz KTCCYZAGMDLZAY-UHFFFAOYSA-N 0 0 322.328 0.914 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOC1CCCCCC1 ZINC000189053745 396390427 /nfs/dbraw/zinc/39/04/27/396390427.db2.gz NFKMKAQLGHHWCK-UKRRQHHQSA-N 0 0 312.410 0.824 10 0 DCAERN CCCC(O)(CCC)CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000189076893 396390506 /nfs/dbraw/zinc/39/05/06/396390506.db2.gz WBNDKPMBFOYMAG-CHWSQXEVSA-N 0 0 300.399 0.416 10 0 DCAERN COCCN1CCCN(C(=O)CCc2cscn2)CC1=O ZINC000189056051 396390751 /nfs/dbraw/zinc/39/07/51/396390751.db2.gz BBWYUHLLQXTAFS-UHFFFAOYSA-N 0 0 311.407 0.783 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)C(C)C ZINC000189414512 396395002 /nfs/dbraw/zinc/39/50/02/396395002.db2.gz RKMIFAGHUJNKQW-OAHLLOKOSA-N 0 0 323.437 0.910 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@H](O)CN1CCCC1=O)[C@H]2C ZINC000189512709 396396433 /nfs/dbraw/zinc/39/64/33/396396433.db2.gz FPPGXYGTBDFHJM-STQMWFEESA-N 0 0 321.425 0.761 10 0 DCAERN CCOC(=O)CCCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189638656 396397135 /nfs/dbraw/zinc/39/71/35/396397135.db2.gz JMRZSHOKJIPBDZ-UHFFFAOYSA-N 0 0 323.397 0.893 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)n[nH]1 ZINC000189730513 396398124 /nfs/dbraw/zinc/39/81/24/396398124.db2.gz SYUMNCLAXVXBTL-UHFFFAOYSA-N 0 0 302.382 0.733 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC[C@@H]2c3ccccc3NC2=O)C1 ZINC000189728881 396398195 /nfs/dbraw/zinc/39/81/95/396398195.db2.gz KXWIVPUXSVIBTL-CYBMUJFWSA-N 0 0 316.361 0.642 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1=O ZINC000189749243 396398434 /nfs/dbraw/zinc/39/84/34/396398434.db2.gz TXAWMLWPPMVLRU-GFCCVEGCSA-N 0 0 307.394 0.468 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3CCCN(C)C(=O)C3)no2)c1 ZINC000189740583 396398451 /nfs/dbraw/zinc/39/84/51/396398451.db2.gz ITCIONXFIYZSMM-UHFFFAOYSA-N 0 0 317.349 0.532 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)n[nH]1 ZINC000189741094 396398496 /nfs/dbraw/zinc/39/84/96/396398496.db2.gz SLRJWVSUAYTUSU-GFCCVEGCSA-N 0 0 320.397 0.157 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCCN(C)C(=O)C1 ZINC000189766256 396398935 /nfs/dbraw/zinc/39/89/35/396398935.db2.gz RVYSQNSWRLFDDC-UHFFFAOYSA-N 0 0 304.412 0.282 10 0 DCAERN CN1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1=O ZINC000189797363 396399707 /nfs/dbraw/zinc/39/97/07/396399707.db2.gz VFQZECSOWWIEHO-UHFFFAOYSA-N 0 0 313.357 0.692 10 0 DCAERN CC[C@@H](C)NC(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000189952998 396400682 /nfs/dbraw/zinc/40/06/82/396400682.db2.gz VPTUMNFYLBINIC-PWSUYJOCSA-N 0 0 314.411 0.700 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000189974512 396401795 /nfs/dbraw/zinc/40/17/95/396401795.db2.gz JRKOBFCJHLNAIW-CQSZACIVSA-N 0 0 319.409 0.266 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000190204832 396402617 /nfs/dbraw/zinc/40/26/17/396402617.db2.gz LMOPZGGTHNFMQK-AAEUAGOBSA-N 0 0 314.411 0.049 10 0 DCAERN CCN1CN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1=O ZINC000190519862 396406965 /nfs/dbraw/zinc/40/69/65/396406965.db2.gz GIVUXFNADLEYNL-ZDUSSCGKSA-N 0 0 318.377 0.743 10 0 DCAERN CCN1CN(C(=O)C(=O)NCCCc2ccccc2)CC1=O ZINC000190585349 396408224 /nfs/dbraw/zinc/40/82/24/396408224.db2.gz PMWIJCWQRWHFEQ-UHFFFAOYSA-N 0 0 303.362 0.384 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NC[C@H](C)OC)ncn1 ZINC000190633434 396408711 /nfs/dbraw/zinc/40/87/11/396408711.db2.gz HONINXOORGJOKG-NWDGAFQWSA-N 0 0 322.413 0.821 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCCN(C)C(=O)C3)cnc2n1 ZINC000190604423 396409003 /nfs/dbraw/zinc/40/90/03/396409003.db2.gz HEJUUKAMUANOCW-UHFFFAOYSA-N 0 0 314.345 0.948 10 0 DCAERN CCc1nc(C2CCN(CCCS(C)(=O)=O)CC2)n[nH]1 ZINC000190647479 396409636 /nfs/dbraw/zinc/40/96/36/396409636.db2.gz MJIXNTUCKBREJR-UHFFFAOYSA-N 0 0 300.428 0.981 10 0 DCAERN COCCN1CCCN([C@H]2CCCN(C(C)C)C2=O)CC1=O ZINC000190775964 396410981 /nfs/dbraw/zinc/41/09/81/396410981.db2.gz IHIMOEJICUEETC-AWEZNQCLSA-N 0 0 311.426 0.567 10 0 DCAERN CCn1cc([C@@H]2CN(CCC(=O)N3CCOCC3)CCO2)cn1 ZINC000190813429 396411762 /nfs/dbraw/zinc/41/17/62/396411762.db2.gz MFDAMSHLNWMILH-HNNXBMFYSA-N 0 0 322.409 0.525 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2oc(CC(C)C)nc2C)CCO1 ZINC000191010472 396413584 /nfs/dbraw/zinc/41/35/84/396413584.db2.gz QQCQKSMVLRBHDY-LLVKDONJSA-N 0 0 309.366 0.769 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000190984388 396413632 /nfs/dbraw/zinc/41/36/32/396413632.db2.gz COVPYHXIKBIYBP-SNVBAGLBSA-N 0 0 310.375 0.788 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)cc1C ZINC000190989635 396413909 /nfs/dbraw/zinc/41/39/09/396413909.db2.gz AIVBYBRGNHJMEK-LLVKDONJSA-N 0 0 312.391 0.903 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)N1CCCN(C)C(=O)C1)CC2 ZINC000191041735 396414731 /nfs/dbraw/zinc/41/47/31/396414731.db2.gz BVVYRKIEEWYMBI-UHFFFAOYSA-N 0 0 315.373 0.575 10 0 DCAERN COc1ccnc(NC2CCN(C(=O)C3(O)CCC3)CC2)n1 ZINC000191375749 396418251 /nfs/dbraw/zinc/41/82/51/396418251.db2.gz SHNNHITVJJILJL-UHFFFAOYSA-N 0 0 306.366 0.803 10 0 DCAERN CCN1CN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000191570480 396422124 /nfs/dbraw/zinc/42/21/24/396422124.db2.gz JXPTYCKMVXGBPH-JTQLQIEISA-N 0 0 304.350 0.234 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)N[C@H](CF)C3=O)C2)n(C)n1 ZINC000287798781 396424147 /nfs/dbraw/zinc/42/41/47/396424147.db2.gz TZIXVJRHZFXGJO-GHMZBOCLSA-N 0 0 309.345 0.587 10 0 DCAERN CCN1CN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1=O ZINC000192022894 396428335 /nfs/dbraw/zinc/42/83/35/396428335.db2.gz ZDWQFGWSXTUUSY-UHFFFAOYSA-N 0 0 315.337 0.624 10 0 DCAERN CCOC1CC(CNC(=O)N[C@H]2C[C@@H]2C)(N2CCOCC2)C1 ZINC000192476133 396431518 /nfs/dbraw/zinc/43/15/18/396431518.db2.gz UPMUAODAOGDJGZ-REWIBIJMSA-N 0 0 311.426 0.964 10 0 DCAERN Cc1nc(CN2CCCN(Cc3nc(N(C)C)no3)CC2)no1 ZINC000192713517 396435751 /nfs/dbraw/zinc/43/57/51/396435751.db2.gz HANUMHSLBKBQGD-UHFFFAOYSA-N 0 0 321.385 0.535 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)n1 ZINC000193001224 396441564 /nfs/dbraw/zinc/44/15/64/396441564.db2.gz RFYXDGHMIAQXPV-VIFPVBQESA-N 0 0 324.406 0.771 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000193069080 396442786 /nfs/dbraw/zinc/44/27/86/396442786.db2.gz LIHVNZVODNYISZ-ZIAGYGMSSA-N 0 0 304.346 0.932 10 0 DCAERN CCN1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1=O ZINC000188081772 396378283 /nfs/dbraw/zinc/37/82/83/396378283.db2.gz LWJVVARYJCPYCS-UHFFFAOYSA-N 0 0 301.350 0.663 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)cs1 ZINC000188107240 396378946 /nfs/dbraw/zinc/37/89/46/396378946.db2.gz AFDLAYGKTHAEIF-WPRPVWTQSA-N 0 0 308.363 0.713 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CCCN(C)C(=O)C1 ZINC000188209812 396379856 /nfs/dbraw/zinc/37/98/56/396379856.db2.gz QCPRBKTULNAZOS-UHFFFAOYSA-N 0 0 304.393 0.610 10 0 DCAERN C[C@H](O)c1cn(CC(=O)N2CCC(C3CCOCC3)CC2)nn1 ZINC000372222980 396497842 /nfs/dbraw/zinc/49/78/42/396497842.db2.gz YTBIXNSNSRVVPL-LBPRGKRZSA-N 0 0 322.409 0.997 10 0 DCAERN O=C(NCc1ccc(CN2CCOCC2)cc1)N1CC(CO)C1 ZINC000580808662 396500887 /nfs/dbraw/zinc/50/08/87/396500887.db2.gz COPNTQGLZARGBY-UHFFFAOYSA-N 0 0 319.405 0.653 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000193458077 396451451 /nfs/dbraw/zinc/45/14/51/396451451.db2.gz QFAYUBKKJRROTQ-GFCCVEGCSA-N 0 0 306.341 0.856 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCCc2occc2C1 ZINC000290883339 396474721 /nfs/dbraw/zinc/47/47/21/396474721.db2.gz CBTKYQOHBYXCIO-QWHCGFSZSA-N 0 0 317.349 0.969 10 0 DCAERN O=C(Nc1ccc(F)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371828290 396477950 /nfs/dbraw/zinc/47/79/50/396477950.db2.gz GMSBUYORQQQEBZ-CYBMUJFWSA-N 0 0 307.325 0.307 10 0 DCAERN O=C(NC[C@H]1CSCCS1)N1CCN2CCOC[C@H]2C1 ZINC000371987157 396481715 /nfs/dbraw/zinc/48/17/15/396481715.db2.gz VIUOXNHIJCEPHF-NEPJUHHUSA-N 0 0 317.480 0.561 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000372115657 396489629 /nfs/dbraw/zinc/48/96/29/396489629.db2.gz FRPAVZNGQNQHTL-PWSUYJOCSA-N 0 0 321.381 0.272 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@]1(C)CC1(F)F ZINC000594849877 396528283 /nfs/dbraw/zinc/52/82/83/396528283.db2.gz AMHMXEAKUVFOGP-SECBINFHSA-N 0 0 300.327 0.361 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000372719892 396539618 /nfs/dbraw/zinc/53/96/18/396539618.db2.gz TWIVFHBVKNPHIU-FUTAKVPZSA-N 0 0 311.341 0.697 10 0 DCAERN Cn1cc([C@H]2[C@H](CNC(=O)C3=CCCCO3)CC(=O)N2C)cn1 ZINC000373036399 396561910 /nfs/dbraw/zinc/56/19/10/396561910.db2.gz LYWNAAOUBDSUCB-XHDPSFHLSA-N 0 0 318.377 0.750 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000531010546 396586643 /nfs/dbraw/zinc/58/66/43/396586643.db2.gz GSHYKPNCIPTTEC-ZIAGYGMSSA-N 0 0 314.451 0.896 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000373129667 396568647 /nfs/dbraw/zinc/56/86/47/396568647.db2.gz ZRABPFMXWGRIIZ-YNEHKIRRSA-N 0 0 317.455 0.545 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000373246275 396578444 /nfs/dbraw/zinc/57/84/44/396578444.db2.gz UMMUBHMTGUALQJ-CQSZACIVSA-N 0 0 306.410 0.513 10 0 DCAERN O=C(C1CCN(c2nccn3nnnc23)CC1)N1CCCCC1 ZINC000530633619 396579525 /nfs/dbraw/zinc/57/95/25/396579525.db2.gz JLDVUWOVFWKPLU-UHFFFAOYSA-N 0 0 315.381 0.748 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000374211148 396647510 /nfs/dbraw/zinc/64/75/10/396647510.db2.gz JBUIDPVKWGKFPW-YUTCNCBUSA-N 0 0 322.409 0.260 10 0 DCAERN CCOC(=O)C1=CN=C2N=CC(Br)=CN2[C@@H]1O ZINC000585656175 396648561 /nfs/dbraw/zinc/64/85/61/396648561.db2.gz PDEVNPGPJBQOSO-MRVPVSSYSA-N 0 0 300.112 0.744 10 0 DCAERN COc1ccccc1C(=O)NCCCN1CCCS1(=O)=O ZINC000585737995 396652139 /nfs/dbraw/zinc/65/21/39/396652139.db2.gz IPOKZBGIRDHURX-UHFFFAOYSA-N 0 0 312.391 0.851 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2O[C@H](C)C[C@H]2C)C1 ZINC000374302267 396653591 /nfs/dbraw/zinc/65/35/91/396653591.db2.gz MMYHLWXLCVUHJV-FDYHWXHSSA-N 0 0 318.439 0.729 10 0 DCAERN Cn1cnc(NC(=O)C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000293191791 396592276 /nfs/dbraw/zinc/59/22/76/396592276.db2.gz VSWZQIDMOAXVLD-ZYANWLCNSA-N 0 0 303.366 0.791 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000531337247 396593955 /nfs/dbraw/zinc/59/39/55/396593955.db2.gz BOQFYDPPGXGTCO-NSHDSACASA-N 0 0 300.322 0.953 10 0 DCAERN O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000373711125 396608910 /nfs/dbraw/zinc/60/89/10/396608910.db2.gz AKNIYZJXQPKANI-WXHSDQCUSA-N 0 0 312.435 0.965 10 0 DCAERN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[C@H]1CCC(=O)N1 ZINC000536950387 396609785 /nfs/dbraw/zinc/60/97/85/396609785.db2.gz OQPFSZHPHSMEDV-NEPJUHHUSA-N 0 0 311.407 0.681 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCCOC3)C2)n1C ZINC000293565709 396617589 /nfs/dbraw/zinc/61/75/89/396617589.db2.gz GLULOMARVIELIY-INIZCTEOSA-N 0 0 322.361 0.833 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1=O ZINC000373986953 396629584 /nfs/dbraw/zinc/62/95/84/396629584.db2.gz VTCRCKNMDIACQD-SYQHCUMBSA-N 0 0 309.410 0.942 10 0 DCAERN Cc1ncc(CNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)s1 ZINC000374497655 396668180 /nfs/dbraw/zinc/66/81/80/396668180.db2.gz TXCOPBKFDMPXIK-JTQLQIEISA-N 0 0 318.424 0.414 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H](c3nnc[nH]3)C2)C[C@H](C)O1 ZINC000374545943 396671803 /nfs/dbraw/zinc/67/18/03/396671803.db2.gz OPCCYCRXHIAFNB-FRRDWIJNSA-N 0 0 307.398 0.620 10 0 DCAERN C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000374606207 396676332 /nfs/dbraw/zinc/67/63/32/396676332.db2.gz RXPISWRDGQEMHW-FVCCEPFGSA-N 0 0 313.398 0.476 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374707725 396681516 /nfs/dbraw/zinc/68/15/16/396681516.db2.gz QPGDSLKRKHJYSO-NEPJUHHUSA-N 0 0 306.428 0.340 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000374761797 396685945 /nfs/dbraw/zinc/68/59/45/396685945.db2.gz MOYKXECUPOPRNY-RYUDHWBXSA-N 0 0 310.350 0.305 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374804931 396689254 /nfs/dbraw/zinc/68/92/54/396689254.db2.gz FNHMYSLUHUJGOO-HZMBPMFUSA-N 0 0 300.318 0.890 10 0 DCAERN O=C(CSCc1ccccn1)N1CCN2CCOC[C@H]2C1 ZINC000374971587 396702300 /nfs/dbraw/zinc/70/23/00/396702300.db2.gz SBQOWHXSIFLSKS-CQSZACIVSA-N 0 0 307.419 0.858 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@H](CO)C1 ZINC000300176402 396714964 /nfs/dbraw/zinc/71/49/64/396714964.db2.gz VQYGEGBUWJGBEY-QJPTWQEYSA-N 0 0 305.396 0.362 10 0 DCAERN O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)[C@@H]1COCCO1 ZINC000589453363 396715390 /nfs/dbraw/zinc/71/53/90/396715390.db2.gz JGZIVUJMTNHVBH-STQMWFEESA-N 0 0 322.386 0.942 10 0 DCAERN O=C(Nc1ccc(Cl)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000375241433 396721067 /nfs/dbraw/zinc/72/10/67/396721067.db2.gz ZVNDSZZHHLLTQH-CYBMUJFWSA-N 0 0 323.780 0.822 10 0 DCAERN CN(C)C(=O)c1cccc(CN2CCN3CCOC[C@H]3C2)c1 ZINC000375239381 396721090 /nfs/dbraw/zinc/72/10/90/396721090.db2.gz FTKNCPFHNVLVEQ-MRXNPFEDSA-N 0 0 303.406 0.905 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC[S@]1=O ZINC000562368589 396659946 /nfs/dbraw/zinc/65/99/46/396659946.db2.gz FOHKVVFNQVGGOL-LPWZSFRNSA-N 0 0 305.440 0.386 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@H](CC(N)=O)C2)c(C)nc1C ZINC000629393406 396737826 /nfs/dbraw/zinc/73/78/26/396737826.db2.gz BFCRRUDIQXWNOD-GFCCVEGCSA-N 0 0 319.361 0.617 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000610662385 396745375 /nfs/dbraw/zinc/74/53/75/396745375.db2.gz FRVHMTAJLBYDEH-VHSXEESVSA-N 0 0 306.370 0.376 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000375472750 396754283 /nfs/dbraw/zinc/75/42/83/396754283.db2.gz LMUNUWZFLBUZEM-ISTVAULSSA-N 0 0 311.407 0.177 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000375483275 396756778 /nfs/dbraw/zinc/75/67/78/396756778.db2.gz LDXVYQFEYFIXHQ-IUCAKERBSA-N 0 0 304.334 0.313 10 0 DCAERN CNC(=O)c1cccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)c1 ZINC000375523253 396765907 /nfs/dbraw/zinc/76/59/07/396765907.db2.gz BMXDEUACJYASEH-NSHDSACASA-N 0 0 319.361 0.622 10 0 DCAERN O=C(NCC[C@H](O)C(F)F)c1cnc2n(c1=O)CCS2 ZINC000633994279 396766584 /nfs/dbraw/zinc/76/65/84/396766584.db2.gz MYWSZCUEXFVVEP-ZETCQYMHSA-N 0 0 305.306 0.095 10 0 DCAERN CO[C@](C)(CNC(=O)[C@@H]1CNC(=O)C1)COCc1ccccc1 ZINC000617676939 396768661 /nfs/dbraw/zinc/76/86/61/396768661.db2.gz CKIFPCOIHMBMEQ-WMLDXEAASA-N 0 0 320.389 0.861 10 0 DCAERN Cn1cnnc1[C@H]1CN(C(=O)COc2ccccc2F)CCO1 ZINC000328619747 396824006 /nfs/dbraw/zinc/82/40/06/396824006.db2.gz GEDLEGMKOQJHKF-CYBMUJFWSA-N 0 0 320.324 0.933 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 ZINC000328619748 396824965 /nfs/dbraw/zinc/82/49/65/396824965.db2.gz GEDLEGMKOQJHKF-ZDUSSCGKSA-N 0 0 320.324 0.933 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C[C@H](O)CN2CCOCC2)[nH]1 ZINC000328636536 396828795 /nfs/dbraw/zinc/82/87/95/396828795.db2.gz CLWJPDYOMJERCT-KGLIPLIRSA-N 0 0 309.414 0.333 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)CC3(O)CCCC3)C1)C2 ZINC000328654679 396830509 /nfs/dbraw/zinc/83/05/09/396830509.db2.gz XQBPQGFLQRMVMC-UHFFFAOYSA-N 0 0 319.409 0.308 10 0 DCAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)CCc2ccccn2)C1 ZINC000328654685 396830545 /nfs/dbraw/zinc/83/05/45/396830545.db2.gz XQUGXITXBKVOLC-AWEZNQCLSA-N 0 0 320.393 0.709 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)C[C@H]1N1CCOCC1 ZINC000375862567 396835003 /nfs/dbraw/zinc/83/50/03/396835003.db2.gz SKEVQPZBLSQQFD-KBUPBQIOSA-N 0 0 324.421 0.755 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329377767 396844618 /nfs/dbraw/zinc/84/46/18/396844618.db2.gz MCQMEOGHSOAFKN-RVMXOQNASA-N 0 0 316.423 0.342 10 0 DCAERN COC(=O)C1(O)CCN(C(=O)Nc2ccc3nccn3c2)CC1 ZINC000611282958 396849882 /nfs/dbraw/zinc/84/98/82/396849882.db2.gz HSWTWCNPJAYTNC-UHFFFAOYSA-N 0 0 318.333 0.866 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)N(C)CCCO)ccc1F ZINC000375990555 396858334 /nfs/dbraw/zinc/85/83/34/396858334.db2.gz YJDOOLXJOMIEPT-UHFFFAOYSA-N 0 0 308.317 0.956 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)OC)CC2 ZINC000375767571 396815493 /nfs/dbraw/zinc/81/54/93/396815493.db2.gz GGKAIXIGLTXVMX-MXWKQRLJSA-N 0 0 306.366 0.471 10 0 DCAERN CN1N=C(C(=O)N2CC(O)(c3ccc(F)cc3)C2)CCC1=O ZINC000375781316 396816847 /nfs/dbraw/zinc/81/68/47/396816847.db2.gz VXBXZABBMKVPNU-UHFFFAOYSA-N 0 0 305.309 0.464 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000591091194 396876309 /nfs/dbraw/zinc/87/63/09/396876309.db2.gz KGMRLNMDSVKNAL-LBPRGKRZSA-N 0 0 317.349 0.773 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCO2)no1 ZINC000332805676 396894787 /nfs/dbraw/zinc/89/47/87/396894787.db2.gz JJXGVDAEUYFDGD-VXGBXAGGSA-N 0 0 309.370 0.555 10 0 DCAERN CO[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)[C@](C)(C(=O)[O-])C1 ZINC000634695645 396898052 /nfs/dbraw/zinc/89/80/52/396898052.db2.gz XNZMPVOQTNQMJR-JQWIXIFHSA-N 0 0 305.396 0.375 10 0 DCAERN CC(C)(C)OC(=O)CCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376303334 396906568 /nfs/dbraw/zinc/90/65/68/396906568.db2.gz LNVRFUOLTIPGJB-LBPRGKRZSA-N 0 0 313.398 0.444 10 0 DCAERN O=C(Cn1nnnc1-c1ccccn1)N1CCOC[C@H]1C1CC1 ZINC000376290040 396907146 /nfs/dbraw/zinc/90/71/46/396907146.db2.gz QRAJTRSSNNCWDO-ZDUSSCGKSA-N 0 0 314.349 0.373 10 0 DCAERN Cn1ccc(CC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)n1 ZINC000376259177 396901983 /nfs/dbraw/zinc/90/19/83/396901983.db2.gz XPKCKFWZIMUBPG-HNNXBMFYSA-N 0 0 303.366 0.470 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)NC[C@H]3CCc4nccn4C3)C[C@H]21 ZINC000332925176 396909527 /nfs/dbraw/zinc/90/95/27/396909527.db2.gz YYSPSLOZBMJFMH-MGPQQGTHSA-N 0 0 319.409 0.170 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCC1(O)CCCC1 ZINC000591587343 396931740 /nfs/dbraw/zinc/93/17/40/396931740.db2.gz UTFPKZLRBRVCNS-UHFFFAOYSA-N 0 0 319.427 0.016 10 0 DCAERN c1cc(-c2nnc(N3CCOCC3)n2C[C@H]2CCCO2)n[nH]1 ZINC000611904388 396946163 /nfs/dbraw/zinc/94/61/63/396946163.db2.gz NDHYYWBJSNAVGN-LLVKDONJSA-N 0 0 304.354 0.684 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)C3CS(=O)(=O)C3)ccc21 ZINC000630524705 397036891 /nfs/dbraw/zinc/03/68/91/397036891.db2.gz VJFSVAFSMJSXCS-UHFFFAOYSA-N 0 0 308.359 0.579 10 0 DCAERN CCCn1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000376868284 396989414 /nfs/dbraw/zinc/98/94/14/396989414.db2.gz FDTJTQFLDMUMME-CQSZACIVSA-N 0 0 320.393 0.803 10 0 DCAERN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625736769 396990778 /nfs/dbraw/zinc/99/07/78/396990778.db2.gz IOHXFZHMJAFHJN-WHWAKUBCSA-N 0 0 311.426 0.644 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H](C(N)=O)O1 ZINC000625735630 396990790 /nfs/dbraw/zinc/99/07/90/396990790.db2.gz HHDDRCOKFIKFIX-MEBFFEOJSA-N 0 0 311.426 0.502 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1 ZINC000408034189 292102511 /nfs/dbraw/zinc/10/25/11/292102511.db2.gz CNUTYRYZPYFYQI-MFKMUULPSA-N 0 0 306.366 0.187 10 0 DCAERN CNC(=O)C1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000601165281 397013469 /nfs/dbraw/zinc/01/34/69/397013469.db2.gz SGAMUYXBKMFULP-UHFFFAOYSA-N 0 0 322.340 0.915 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)OCC1CC1 ZINC000618754161 397022533 /nfs/dbraw/zinc/02/25/33/397022533.db2.gz FLCJRRFGNDDXAC-DCAQKATOSA-N 0 0 314.382 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](C)C1CCC1 ZINC000618824773 397031430 /nfs/dbraw/zinc/03/14/30/397031430.db2.gz IKGWWLLSQOWILC-AXFHLTTASA-N 0 0 313.398 0.931 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000625912894 397031696 /nfs/dbraw/zinc/03/16/96/397031696.db2.gz MESZSZNKLWQVTQ-QWRGUYRKSA-N 0 0 311.426 0.910 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c[nH]nc1CC ZINC000618882914 397036032 /nfs/dbraw/zinc/03/60/32/397036032.db2.gz GRZSJKQIFSYEDL-RKDXNWHRSA-N 0 0 310.354 0.158 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]nc1CC ZINC000618882913 397036248 /nfs/dbraw/zinc/03/62/48/397036248.db2.gz GRZSJKQIFSYEDL-IUCAKERBSA-N 0 0 310.354 0.158 10 0 DCAERN Cn1nncc1CC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000612465842 397065506 /nfs/dbraw/zinc/06/55/06/397065506.db2.gz LMUJGBINLLIWEM-KGLIPLIRSA-N 0 0 307.398 0.117 10 0 DCAERN CC(=O)[C@](C)(O)CN(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142287 397088597 /nfs/dbraw/zinc/08/85/97/397088597.db2.gz BMKPMDNHTVFARP-MRXNPFEDSA-N 0 0 322.361 0.668 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)n(C)c1 ZINC000572860409 397103785 /nfs/dbraw/zinc/10/37/85/397103785.db2.gz FBHTUDHBFICIDN-NSHDSACASA-N 0 0 316.365 0.746 10 0 DCAERN CCC[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630571679 397048867 /nfs/dbraw/zinc/04/88/67/397048867.db2.gz RISOLYCYDZDMMZ-KBPBESRZSA-N 0 0 307.394 0.815 10 0 DCAERN Cc1conc1C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000630939568 397140326 /nfs/dbraw/zinc/14/03/26/397140326.db2.gz GQDGBCBBPPMKTH-ZIAGYGMSSA-N 0 0 322.409 0.460 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(F)(F)C1 ZINC000626373190 397148601 /nfs/dbraw/zinc/14/86/01/397148601.db2.gz LDVGYILFOOXXKZ-UHFFFAOYSA-N 0 0 319.352 0.664 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000377965794 397171992 /nfs/dbraw/zinc/17/19/92/397171992.db2.gz FLXLPIORVMJSHT-NSHDSACASA-N 0 0 321.358 0.877 10 0 DCAERN OC[C@@]1(F)CCN(c2ncc(I)cn2)C1 ZINC000619794767 397193756 /nfs/dbraw/zinc/19/37/56/397193756.db2.gz LQITVBABORVJSR-SECBINFHSA-N 0 0 323.109 0.992 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCC2([S@@](C)=O)CCC2)C1=O ZINC000619801864 397194950 /nfs/dbraw/zinc/19/49/50/397194950.db2.gz FEIZUPXHOMQNPF-CFMSYZGJSA-N 0 0 301.412 0.208 10 0 DCAERN CCN1CC[C@H](NC(=O)c2ccc(OCC(=O)OC)cc2)C1=O ZINC000619803025 397196715 /nfs/dbraw/zinc/19/67/15/397196715.db2.gz VRBRNQWTKGKETH-ZDUSSCGKSA-N 0 0 320.345 0.589 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@H](C(N)=O)O1 ZINC000378159341 397202289 /nfs/dbraw/zinc/20/22/89/397202289.db2.gz DDXZPPOZGVLEJO-RXGFPQBGSA-N 0 0 311.382 0.228 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000601747853 397232913 /nfs/dbraw/zinc/23/29/13/397232913.db2.gz KMEVFWJWRMIYRH-LBPRGKRZSA-N 0 0 312.366 0.747 10 0 DCAERN Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)nc(-c2ccccn2)n1 ZINC000601755098 397237470 /nfs/dbraw/zinc/23/74/70/397237470.db2.gz QOJVLPIFVZOZHY-LLVKDONJSA-N 0 0 319.390 0.714 10 0 DCAERN COC(=O)C(C)(C)CS(=O)(=O)CC(=O)N1CCCCC1 ZINC000379878563 397268481 /nfs/dbraw/zinc/26/84/81/397268481.db2.gz NVYXEOKTVXNNOB-UHFFFAOYSA-N 0 0 305.396 0.613 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N[C@@](C)(CO)COC)nc1C ZINC000613534909 397276416 /nfs/dbraw/zinc/27/64/16/397276416.db2.gz XQKPHXDOKUVTBQ-HNNXBMFYSA-N 0 0 310.350 0.694 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)C(C)C ZINC000365404940 397277404 /nfs/dbraw/zinc/27/74/04/397277404.db2.gz RNUAYRXUIQISOK-DOTOQJQBSA-N 0 0 323.437 0.912 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@@H]2C)cc1 ZINC000386258684 397287039 /nfs/dbraw/zinc/28/70/39/397287039.db2.gz KAOHGDXADRZQNS-CMPLNLGQSA-N 0 0 312.391 0.438 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000574332961 397257064 /nfs/dbraw/zinc/25/70/64/397257064.db2.gz GESHNJFHERULOC-MJBXVCDLSA-N 0 0 300.447 0.593 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CN1C(=O)Cc2ccccc21 ZINC000613414884 397257133 /nfs/dbraw/zinc/25/71/33/397257133.db2.gz GMGFUDSLKYXPDS-AWEZNQCLSA-N 0 0 316.357 0.782 10 0 DCAERN CC(C)N1C(=O)CN(CCS(=O)(=O)N(C)C)CC1(C)C ZINC000407951935 397334817 /nfs/dbraw/zinc/33/48/17/397334817.db2.gz XSYNNYPDLVWASM-UHFFFAOYSA-N 0 0 305.444 0.209 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(C2CC2)C(=O)C1 ZINC000407953933 397335006 /nfs/dbraw/zinc/33/50/06/397335006.db2.gz CPAQNFUURPKUAA-NSHDSACASA-N 0 0 303.366 0.283 10 0 DCAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCN(C2CC2)C(=O)C1 ZINC000407953533 397335252 /nfs/dbraw/zinc/33/52/52/397335252.db2.gz DDHFJQZUGLURSD-ZDUSSCGKSA-N 0 0 313.357 0.946 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000407956915 397335448 /nfs/dbraw/zinc/33/54/48/397335448.db2.gz XMKDZURJEBIEIF-TUAOUCFPSA-N 0 0 311.382 0.590 10 0 DCAERN O=C(CS(=O)(=O)C1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000407954801 397336275 /nfs/dbraw/zinc/33/62/75/397336275.db2.gz HTTQAAXDUXLSOX-UHFFFAOYSA-N 0 0 314.407 0.177 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC(=O)N1C ZINC000407961805 397337793 /nfs/dbraw/zinc/33/77/93/397337793.db2.gz AODCTRVIQLTDCN-VXGBXAGGSA-N 0 0 321.381 0.614 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000407969775 397341685 /nfs/dbraw/zinc/34/16/85/397341685.db2.gz YHYCTKFBLOMKCD-VHSXEESVSA-N 0 0 310.366 0.962 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H]1CS(N)(=O)=O)C1CCOCC1 ZINC000407997945 397343697 /nfs/dbraw/zinc/34/36/97/397343697.db2.gz YZNZYZXPFMVCLS-PWSUYJOCSA-N 0 0 304.412 0.329 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)C[C@@H]1C ZINC000408074715 397346579 /nfs/dbraw/zinc/34/65/79/397346579.db2.gz VKYYOHDMMWAYIV-ZFWWWQNUSA-N 0 0 311.426 0.567 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCOCC2=O)c2ccccc2C(=O)N1 ZINC000366169946 397347016 /nfs/dbraw/zinc/34/70/16/397347016.db2.gz JDLUIQCVEIKMEE-LLVKDONJSA-N 0 0 317.345 0.010 10 0 DCAERN C[C@H]1[C@@H](C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1(F)F ZINC000408112078 397347459 /nfs/dbraw/zinc/34/74/59/397347459.db2.gz JWUYYWZTCAHYEZ-DOHFPPDUSA-N 0 0 301.293 0.525 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)CC(=O)N1 ZINC000408205118 397350724 /nfs/dbraw/zinc/35/07/24/397350724.db2.gz XJNFDEIDUPXZDB-LOKLDPHHSA-N 0 0 308.300 0.815 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408354309 397355121 /nfs/dbraw/zinc/35/51/21/397355121.db2.gz JMMXAPPPJQRZGK-FRRDWIJNSA-N 0 0 322.427 0.078 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000408398325 397355593 /nfs/dbraw/zinc/35/55/93/397355593.db2.gz YDJPZJYZSVFVNS-VHSXEESVSA-N 0 0 321.424 0.099 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000613973691 397355945 /nfs/dbraw/zinc/35/59/45/397355945.db2.gz AEFNQLNXAVZXLP-QCDXTXTGSA-N 0 0 324.406 0.765 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)CCOCC2CCC2)C1 ZINC000621315104 397372499 /nfs/dbraw/zinc/37/24/99/397372499.db2.gz UFPODYGNBPVRQE-CYBMUJFWSA-N 0 0 304.412 0.343 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCOCC2(CC2)C1 ZINC000577945431 397373581 /nfs/dbraw/zinc/37/35/81/397373581.db2.gz ZZFOMVFTVRYMKM-MCIONIFRSA-N 0 0 322.405 0.699 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000614450853 397439850 /nfs/dbraw/zinc/43/98/50/397439850.db2.gz BDTYFMRXANOSNV-CYBMUJFWSA-N 0 0 315.757 0.211 10 0 DCAERN CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000460019494 397440751 /nfs/dbraw/zinc/44/07/51/397440751.db2.gz SFXUGFCKPQPHIY-SUMWQHHRSA-N 0 0 321.421 0.764 10 0 DCAERN C[C@H](CN1C[C@]2(CCOC2)OC(C)(C)C1)CS(C)(=O)=O ZINC000369856833 397445452 /nfs/dbraw/zinc/44/54/52/397445452.db2.gz PFIQEQQCBNBWMZ-OCCSQVGLSA-N 0 0 305.440 0.937 10 0 DCAERN CC(C)[C@](C)(O)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000602428768 397397684 /nfs/dbraw/zinc/39/76/84/397397684.db2.gz PQFKJDRCPKUHTR-CYBMUJFWSA-N 0 0 321.443 0.118 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593869541 397462010 /nfs/dbraw/zinc/46/20/10/397462010.db2.gz MBRNHZSCJJGKNK-WNBORZDKSA-N 0 0 318.398 0.696 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000614528932 397465434 /nfs/dbraw/zinc/46/54/34/397465434.db2.gz FOBNZENOEIWPNX-GFCCVEGCSA-N 0 0 305.334 0.285 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)nc1 ZINC000487093540 397465451 /nfs/dbraw/zinc/46/54/51/397465451.db2.gz CDSFZRSOJAAFAW-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCSC1 ZINC000487128285 397467021 /nfs/dbraw/zinc/46/70/21/397467021.db2.gz DXBICPJWHOZGPE-KXUCPTDWSA-N 0 0 302.396 0.312 10 0 DCAERN COCc1nc2n(n1)C[C@@H](N1C(=O)N[C@H](CC3CC3)C1=O)CC2 ZINC000578595173 397457316 /nfs/dbraw/zinc/45/73/16/397457316.db2.gz NYDKNMAUDGPUNV-WDEREUQCSA-N 0 0 319.365 0.460 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@@H]2CN3CCN2CCC3)s1 ZINC000614514987 397460710 /nfs/dbraw/zinc/46/07/10/397460710.db2.gz REFCWDUGZOBPJM-LLVKDONJSA-N 0 0 308.407 0.465 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1Cc2ccccc21 ZINC000488305144 397488947 /nfs/dbraw/zinc/48/89/47/397488947.db2.gz DTJPARSDWCCFJU-MJVIPROJSA-N 0 0 318.373 0.899 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(C)c1 ZINC000488572020 397495291 /nfs/dbraw/zinc/49/52/91/397495291.db2.gz HYSAQJNRTSCNDZ-WDEREUQCSA-N 0 0 322.365 0.390 10 0 DCAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(CCOc2ccccc2)CCO1 ZINC000370508783 397496006 /nfs/dbraw/zinc/49/60/06/397496006.db2.gz OBPYJHNIQVCMFF-OAHLLOKOSA-N 0 0 308.378 0.783 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000488103679 397485459 /nfs/dbraw/zinc/48/54/59/397485459.db2.gz YVLKPAKMSZUIER-UHFFFAOYSA-N 0 0 321.425 0.684 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(CC)c1 ZINC000488153964 397486333 /nfs/dbraw/zinc/48/63/33/397486333.db2.gz UGQPXPLZXMERRZ-ZJUUUORDSA-N 0 0 310.354 0.089 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cncc(C)c1 ZINC000488156317 397486711 /nfs/dbraw/zinc/48/67/11/397486711.db2.gz BHJQEUHZUHEWOP-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCOC(C)C ZINC000488278092 397487540 /nfs/dbraw/zinc/48/75/40/397487540.db2.gz IIOHKIJYHKYZJX-WDEREUQCSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCOC(C)C ZINC000488278091 397487768 /nfs/dbraw/zinc/48/77/68/397487768.db2.gz IIOHKIJYHKYZJX-QWRGUYRKSA-N 0 0 302.371 0.374 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000579457899 397569268 /nfs/dbraw/zinc/56/92/68/397569268.db2.gz JYRSQPCYWROUAG-RBSFLKMASA-N 0 0 323.437 0.614 10 0 DCAERN O=C(N[C@H]1CCCOCC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000579749518 397591887 /nfs/dbraw/zinc/59/18/87/397591887.db2.gz DRDVHYQDEJGKTC-LBPRGKRZSA-N 0 0 319.361 0.357 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@H]2CCCO2)CC[S@](=O)C1 ZINC000579791046 397592741 /nfs/dbraw/zinc/59/27/41/397592741.db2.gz XWPKLHVARCCCLZ-JWHHTLNTSA-N 0 0 305.440 0.243 10 0 DCAERN O=C(COC1CCOCC1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000604975546 397657425 /nfs/dbraw/zinc/65/74/25/397657425.db2.gz FWPPVRVLISBBMO-JTQLQIEISA-N 0 0 310.316 0.935 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NC(=O)NC1CC1 ZINC000603875245 397624505 /nfs/dbraw/zinc/62/45/05/397624505.db2.gz NUZPPAPWWRSXOV-UHTWSYAYSA-N 0 0 323.393 0.781 10 0 DCAERN CN(CC(=O)NCc1nnnn1C1CC1)c1ccc(Cl)cn1 ZINC000608197551 397720526 /nfs/dbraw/zinc/72/05/26/397720526.db2.gz XSTXXQQSSKIVQR-UHFFFAOYSA-N 0 0 321.772 0.809 10 0 DCAERN Cc1nnc(CN2CCN(Cc3nc(C(C)C)no3)CC2)[nH]1 ZINC000605421955 397664594 /nfs/dbraw/zinc/66/45/94/397664594.db2.gz BSQOIGFPWHWJDR-UHFFFAOYSA-N 0 0 305.386 0.937 10 0 DCAERN CN(Cc1ccon1)C(=O)NCCCN1CCCS1(=O)=O ZINC000606921262 397690860 /nfs/dbraw/zinc/69/08/60/397690860.db2.gz BQVYIDXSWGGZJW-UHFFFAOYSA-N 0 0 316.383 0.242 10 0 DCAERN Cc1ccc(-n2nnnc2N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000607147791 397697305 /nfs/dbraw/zinc/69/73/05/397697305.db2.gz AEHMKPJSBIFLBH-LBPRGKRZSA-N 0 0 321.406 0.842 10 0 DCAERN CCOC(=O)CN1CCCN(C(=O)c2c[nH]nc2CC)CC1 ZINC000608777981 397755579 /nfs/dbraw/zinc/75/55/79/397755579.db2.gz OGJCNERZEWLNDQ-UHFFFAOYSA-N 0 0 308.382 0.683 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(C)[nH]1 ZINC000608591373 397738699 /nfs/dbraw/zinc/73/86/99/397738699.db2.gz MHIMIPHIKOHIEU-BMIGLBTASA-N 0 0 304.350 0.740 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)s1 ZINC000610497477 397827218 /nfs/dbraw/zinc/82/72/18/397827218.db2.gz HDVDLCYOGGGQBE-UHFFFAOYSA-N 0 0 308.359 0.982 10 0 DCAERN O=C([C@@H]1CCCn2ccnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000176459453 304351259 /nfs/dbraw/zinc/35/12/59/304351259.db2.gz SLGQMWDZEFLNGB-ZIAGYGMSSA-N 0 0 304.394 0.694 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)N(C)C1 ZINC000408044106 286082227 /nfs/dbraw/zinc/08/22/27/286082227.db2.gz SMMGUGHOPQIZLI-NHCYSSNCSA-N 0 0 310.316 0.621 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)N(C)C1 ZINC000329109869 286083646 /nfs/dbraw/zinc/08/36/46/286083646.db2.gz GDGWFWYJBMIUDG-IXOXFDKPSA-N 0 0 324.381 0.386 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)nn1 ZINC000133517071 286289663 /nfs/dbraw/zinc/28/96/63/286289663.db2.gz GMXDBOFZYLRPKV-JTQLQIEISA-N 0 0 316.365 0.945 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046496393 158001879 /nfs/dbraw/zinc/00/18/79/158001879.db2.gz FYCLGOUBFBPESA-NWDGAFQWSA-N 0 0 301.350 0.837 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nncn1C)c1ccccc1 ZINC000047633192 158004246 /nfs/dbraw/zinc/00/42/46/158004246.db2.gz DRBAZGKSPAZFFX-GHMZBOCLSA-N 0 0 322.390 0.855 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC(=O)NCC(F)(F)F)C1 ZINC000048671990 158007391 /nfs/dbraw/zinc/00/73/91/158007391.db2.gz XODREOCYFORMRT-QMMMGPOBSA-N 0 0 317.333 0.231 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)C1 ZINC000048907197 158008399 /nfs/dbraw/zinc/00/83/99/158008399.db2.gz OLXRMKBMVUZFET-GFCCVEGCSA-N 0 0 300.428 0.800 10 0 DCAERN NC(=O)NCC(=O)NCc1cc(F)ccc1Br ZINC000048826207 158008619 /nfs/dbraw/zinc/00/86/19/158008619.db2.gz BVLFAHATKGWXLY-UHFFFAOYSA-N 0 0 304.119 0.873 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN(C)C[C@@H]1CCCO1 ZINC000052102536 158016351 /nfs/dbraw/zinc/01/63/51/158016351.db2.gz POMDKIYGQPSZJU-STQMWFEESA-N 0 0 300.399 0.801 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O ZINC000053409734 158018014 /nfs/dbraw/zinc/01/80/14/158018014.db2.gz UHNBTEPMFFMGTG-VXNVDRBHSA-N 0 0 311.288 0.308 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000054455591 158021866 /nfs/dbraw/zinc/02/18/66/158021866.db2.gz XUKIWCSCTKDIPF-FRRDWIJNSA-N 0 0 318.439 0.826 10 0 DCAERN Nc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000062975781 158030181 /nfs/dbraw/zinc/03/01/81/158030181.db2.gz RTKXQQATPNQXRL-ZDUSSCGKSA-N 0 0 311.407 0.364 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000063723314 158030966 /nfs/dbraw/zinc/03/09/66/158030966.db2.gz IJCUXLKCDXZOGR-LBPRGKRZSA-N 0 0 316.365 0.576 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000063661531 158031228 /nfs/dbraw/zinc/03/12/28/158031228.db2.gz DKHKLLOOAJIIJL-UHFFFAOYSA-N 0 0 310.375 0.442 10 0 DCAERN CCn1c(CN2CCO[C@@H](C(N)=O)C2)nc2cc(F)ccc21 ZINC000066830919 158037964 /nfs/dbraw/zinc/03/79/64/158037964.db2.gz KPDFJKOBZQUPFZ-CYBMUJFWSA-N 0 0 306.341 0.881 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NCCCc2cccc(F)c2)c1=O ZINC000068180625 158041769 /nfs/dbraw/zinc/04/17/69/158041769.db2.gz KZKZATROWQVYDS-UHFFFAOYSA-N 0 0 319.336 0.435 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCNC(=O)CC1)c1ccc(C)cc1 ZINC000068258387 158042051 /nfs/dbraw/zinc/04/20/51/158042051.db2.gz OABMBOZIUYALHK-OAHLLOKOSA-N 0 0 317.389 0.911 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2[C@H](C)COC[C@H]2C)C1 ZINC000408218577 286664718 /nfs/dbraw/zinc/66/47/18/286664718.db2.gz SSTVGRZAJMLAQD-UPJWGTAASA-N 0 0 318.439 0.684 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000074366855 158058806 /nfs/dbraw/zinc/05/88/06/158058806.db2.gz DSRFFZYRUCKPBP-OLZOCXBDSA-N 0 0 324.425 0.650 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000074932947 158060828 /nfs/dbraw/zinc/06/08/28/158060828.db2.gz PJTJNNHWJSKVIL-UHFFFAOYSA-N 0 0 300.362 0.597 10 0 DCAERN COc1c(C)cc(C)cc1S(=O)(=O)NCCNC(C)=O ZINC000074935575 158061212 /nfs/dbraw/zinc/06/12/12/158061212.db2.gz VGSSJYWWBAIFTD-UHFFFAOYSA-N 0 0 300.380 0.726 10 0 DCAERN O=C(NCCN1CCOCC1)[C@H]1CCCN1c1nccs1 ZINC000075484921 158061904 /nfs/dbraw/zinc/06/19/04/158061904.db2.gz JRPOOMBMFALKFL-GFCCVEGCSA-N 0 0 310.423 0.560 10 0 DCAERN C[C@@H]1CC[C@@H](C)N(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075288413 158062502 /nfs/dbraw/zinc/06/25/02/158062502.db2.gz MQEHYPRZNKPKFG-GHMZBOCLSA-N 0 0 303.366 0.777 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3[C@H](C)COC[C@H]3C)nc2n1 ZINC000076364983 158065145 /nfs/dbraw/zinc/06/51/45/158065145.db2.gz IKKHPMFXQNINSK-VXGBXAGGSA-N 0 0 303.366 0.919 10 0 DCAERN Cn1ccc(NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)n1 ZINC000077694066 158069098 /nfs/dbraw/zinc/06/90/98/158069098.db2.gz XYTHHKXBGPXLCT-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN CN(CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(N)=O ZINC000078393569 158072576 /nfs/dbraw/zinc/07/25/76/158072576.db2.gz RFNJYYJIJNUWJF-NSHDSACASA-N 0 0 324.768 0.572 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000079051783 158076452 /nfs/dbraw/zinc/07/64/52/158076452.db2.gz ZBFNZIZHNYIKQY-PRHODGIISA-N 0 0 321.299 0.458 10 0 DCAERN NS(=O)(=O)c1ccc(CNc2nccn3cnnc23)cc1 ZINC000079467757 158078929 /nfs/dbraw/zinc/07/89/29/158078929.db2.gz YCMYGRDQSUAOBR-UHFFFAOYSA-N 0 0 304.335 0.384 10 0 DCAERN Cn1nccc1CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000079498808 158078953 /nfs/dbraw/zinc/07/89/53/158078953.db2.gz GSKVJYIQDBUHTJ-UHFFFAOYSA-N 0 0 311.345 0.948 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000081446464 158084694 /nfs/dbraw/zinc/08/46/94/158084694.db2.gz JABXDOGESNJAPT-SECBINFHSA-N 0 0 321.406 0.998 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)CC(C)C ZINC000081582354 158085637 /nfs/dbraw/zinc/08/56/37/158085637.db2.gz KLTLBVFFFJKFFW-LLVKDONJSA-N 0 0 314.411 0.608 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000083774642 158088105 /nfs/dbraw/zinc/08/81/05/158088105.db2.gz BDQCTIIXZWSPHT-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CSC[C@@H](CCO)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083734406 158089043 /nfs/dbraw/zinc/08/90/43/158089043.db2.gz NLLIBJDZBAJEJY-MNOVXSKESA-N 0 0 313.427 0.835 10 0 DCAERN CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2COCCN2)ccc1F ZINC000088369914 158094750 /nfs/dbraw/zinc/09/47/50/158094750.db2.gz PIWJGDVEVBWEEA-NSHDSACASA-N 0 0 317.342 0.124 10 0 DCAERN CNC(=O)NCC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000089571535 158098781 /nfs/dbraw/zinc/09/87/81/158098781.db2.gz GTUPDZMBMRTXFM-LBPRGKRZSA-N 0 0 304.350 0.179 10 0 DCAERN O=C(CSCC(F)(F)F)NC[C@H](O)CN1CCOCC1 ZINC000090165928 158102013 /nfs/dbraw/zinc/10/20/13/158102013.db2.gz BRRJKUIWAPOAOE-VIFPVBQESA-N 0 0 316.345 0.091 10 0 DCAERN O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1CN2CCN1CC2 ZINC000090699023 158104446 /nfs/dbraw/zinc/10/44/46/158104446.db2.gz DTPGSRPREMBMHC-KDHUCADRSA-N 0 0 307.419 0.577 10 0 DCAERN COCCN1CCN(Cc2ccsc2C(=O)OC)CC1=O ZINC000091839430 158111420 /nfs/dbraw/zinc/11/14/20/158111420.db2.gz NLFWOGDSBYRJDZ-UHFFFAOYSA-N 0 0 312.391 0.825 10 0 DCAERN CC[C@H]1CN(CC(=O)N2CCN(C)CC2)CCN1CC(F)F ZINC000093256613 158118497 /nfs/dbraw/zinc/11/84/97/158118497.db2.gz VACJDQFJZAKXRI-ZDUSSCGKSA-N 0 0 318.412 0.422 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000094892858 158124107 /nfs/dbraw/zinc/12/41/07/158124107.db2.gz DGSMYHHUHFCDEV-GXSJLCMTSA-N 0 0 313.379 0.483 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)CCO ZINC000097443452 158125815 /nfs/dbraw/zinc/12/58/15/158125815.db2.gz AHITXASZOSDUQJ-RYUDHWBXSA-N 0 0 306.428 0.325 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000105880334 158130223 /nfs/dbraw/zinc/13/02/23/158130223.db2.gz UXTDMKRNQSNOTG-QWHCGFSZSA-N 0 0 305.382 0.264 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)Cn3cccn3)CC2)no1 ZINC000110946464 158139119 /nfs/dbraw/zinc/13/91/19/158139119.db2.gz DFCIYQZMJROOHC-UHFFFAOYSA-N 0 0 304.354 0.309 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112647417 158142134 /nfs/dbraw/zinc/14/21/34/158142134.db2.gz ZPNLXEXZIFNXTH-LBPRGKRZSA-N 0 0 323.356 0.836 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)C1 ZINC000112682325 158144257 /nfs/dbraw/zinc/14/42/57/158144257.db2.gz AQAUZQVOZWAPRK-FZMZJTMJSA-N 0 0 323.418 0.880 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000113367676 158146653 /nfs/dbraw/zinc/14/66/53/158146653.db2.gz NGTBEVUEVAEIOV-VIFPVBQESA-N 0 0 323.374 0.476 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC000113600740 158149003 /nfs/dbraw/zinc/14/90/03/158149003.db2.gz RFWJEKBTGPUTAK-STQMWFEESA-N 0 0 319.471 0.935 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)[C@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650600 158149069 /nfs/dbraw/zinc/14/90/69/158149069.db2.gz NQPZTBPOPFOGMA-HLUHBDAQSA-N 0 0 310.375 0.410 10 0 DCAERN CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)o1 ZINC000114409883 158152858 /nfs/dbraw/zinc/15/28/58/158152858.db2.gz UEHIHHFPOSVDAU-JTQLQIEISA-N 0 0 323.374 0.835 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)CCC(C)C)CC2 ZINC000114863820 158157742 /nfs/dbraw/zinc/15/77/42/158157742.db2.gz ISLGMPCOVIWJDD-GFCCVEGCSA-N 0 0 321.425 0.824 10 0 DCAERN COc1cccc(CNC(=O)N2CCNC(=O)[C@@H]2C(C)C)n1 ZINC000114949685 158160413 /nfs/dbraw/zinc/16/04/13/158160413.db2.gz XUMRIDTXXJKCSI-ZDUSSCGKSA-N 0 0 306.366 0.756 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccnc(C)n1)CC2 ZINC000114938727 158160598 /nfs/dbraw/zinc/16/05/98/158160598.db2.gz NPSDRIZTYBCKDH-GFCCVEGCSA-N 0 0 315.381 0.753 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCC[C@H]2c2ccco2)c1=O ZINC000116046065 158163316 /nfs/dbraw/zinc/16/33/16/158163316.db2.gz WMYBHCYSCZZXMQ-NSHDSACASA-N 0 0 303.318 0.504 10 0 DCAERN Cc1noc(COCC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000116118308 158164849 /nfs/dbraw/zinc/16/48/49/158164849.db2.gz BATNJSPPHPVOCL-LLVKDONJSA-N 0 0 305.338 0.644 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116277381 158164956 /nfs/dbraw/zinc/16/49/56/158164956.db2.gz XDWBBYBVXMCOJG-UKRRQHHQSA-N 0 0 322.453 0.282 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)N(CC(N)=O)CC(N)=O)cc21 ZINC000116746864 158166838 /nfs/dbraw/zinc/16/68/38/158166838.db2.gz SFEDYNMEMXUUJM-UHFFFAOYSA-N 0 0 306.297 0.028 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000116952002 158168716 /nfs/dbraw/zinc/16/87/16/158168716.db2.gz YBZBOENFRGASEM-SECBINFHSA-N 0 0 318.424 0.019 10 0 DCAERN COCCN1CCN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1C ZINC000117287572 158170566 /nfs/dbraw/zinc/17/05/66/158170566.db2.gz YYDMAIGDDWMIKC-LBPRGKRZSA-N 0 0 305.378 0.578 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117642474 158171817 /nfs/dbraw/zinc/17/18/17/158171817.db2.gz BYYKSOGHUBUJQI-ZWNOBZJWSA-N 0 0 312.391 0.607 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)[C@@H](C)COC)C1 ZINC000117915875 158174254 /nfs/dbraw/zinc/17/42/54/158174254.db2.gz NRDVRUBIAARYNT-NWDGAFQWSA-N 0 0 306.428 0.732 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC(C2CC2)C2CC2)C1 ZINC000117962436 158174498 /nfs/dbraw/zinc/17/44/98/158174498.db2.gz YSJPPDMFYCKTRZ-LLVKDONJSA-N 0 0 301.412 0.508 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@@H](C)COC)CC2 ZINC000117924294 158174512 /nfs/dbraw/zinc/17/45/12/158174512.db2.gz VDDQNXGTOIHFMZ-VHSXEESVSA-N 0 0 302.400 0.110 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)[C@@H](C)COC)CC2 ZINC000117924297 158174808 /nfs/dbraw/zinc/17/48/08/158174808.db2.gz VDDQNXGTOIHFMZ-UWVGGRQHSA-N 0 0 302.400 0.110 10 0 DCAERN C[C@H](CN1CCN(c2cnn(C)c2)CC1)CS(C)(=O)=O ZINC000119545795 158188809 /nfs/dbraw/zinc/18/88/09/158188809.db2.gz LJXDVQPAFIXFDG-GFCCVEGCSA-N 0 0 300.428 0.223 10 0 DCAERN CCCCS[C@H](C)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000119574694 158189496 /nfs/dbraw/zinc/18/94/96/158189496.db2.gz USOJIMXEGYULAD-OLZOCXBDSA-N 0 0 304.456 0.718 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000119980522 158191843 /nfs/dbraw/zinc/19/18/43/158191843.db2.gz IULGBMHRXAKRPR-VIFPVBQESA-N 0 0 310.354 0.602 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000120154647 158195553 /nfs/dbraw/zinc/19/55/53/158195553.db2.gz KKFULCLFWZRPTO-VXGBXAGGSA-N 0 0 302.396 0.049 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cncn3)CC2)C1 ZINC000120416966 158198375 /nfs/dbraw/zinc/19/83/75/158198375.db2.gz HYFPAPCWQHCBKE-LLVKDONJSA-N 0 0 306.370 0.232 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)C(N)=O ZINC000121732454 158214102 /nfs/dbraw/zinc/21/41/02/158214102.db2.gz PMUDVWCCKGQTFN-CYDGBPFRSA-N 0 0 317.393 0.604 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CC(CO)C1 ZINC000122548320 158221859 /nfs/dbraw/zinc/22/18/59/158221859.db2.gz GADISWIJJIXGBG-SNVBAGLBSA-N 0 0 310.300 0.768 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000122714532 158223289 /nfs/dbraw/zinc/22/32/89/158223289.db2.gz DWCPQXBRYFCCOU-STQMWFEESA-N 0 0 318.439 0.874 10 0 DCAERN CN1C[C@@H](C(=O)NC2CCN(c3ccccn3)CC2)CC1=O ZINC000122875147 158225124 /nfs/dbraw/zinc/22/51/24/158225124.db2.gz ZSDLGCDPYHBFPW-LBPRGKRZSA-N 0 0 302.378 0.645 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)NCCCN2CCCC2=O)C1 ZINC000123965275 158235358 /nfs/dbraw/zinc/23/53/58/158235358.db2.gz HTJWXPJNVTVMRC-GFCCVEGCSA-N 0 0 310.398 0.309 10 0 DCAERN Cn1nccc1C1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000124533416 158243402 /nfs/dbraw/zinc/24/34/02/158243402.db2.gz QMCGRYBNZAFYHW-ZDUSSCGKSA-N 0 0 319.409 0.917 10 0 DCAERN CN(C)c1ncc(NC(=O)Cn2cnc3ccccc3c2=O)cn1 ZINC000125418762 158254552 /nfs/dbraw/zinc/25/45/52/158254552.db2.gz KTOPWOZAGXTCSH-UHFFFAOYSA-N 0 0 324.344 0.891 10 0 DCAERN CN(C)c1ncc(NC(=O)CNC(=O)c2cccnc2)cn1 ZINC000125645383 158257841 /nfs/dbraw/zinc/25/78/41/158257841.db2.gz PZHJLUZMFXOBIZ-UHFFFAOYSA-N 0 0 300.322 0.306 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000125858264 158260126 /nfs/dbraw/zinc/26/01/26/158260126.db2.gz RNAXXTGJHDPIGT-SECBINFHSA-N 0 0 303.384 0.912 10 0 DCAERN Cc1cc(CC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)n[nH]1 ZINC000127497371 158274111 /nfs/dbraw/zinc/27/41/11/158274111.db2.gz LCVVNOLTZPTIIU-AWEZNQCLSA-N 0 0 308.382 0.260 10 0 DCAERN CN(C)c1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cn1 ZINC000127467287 158274866 /nfs/dbraw/zinc/27/48/66/158274866.db2.gz ZHMNYAGKPKVWCP-CQSZACIVSA-N 0 0 304.394 0.741 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ncc(C(N)=O)s1 ZINC000128342169 158279995 /nfs/dbraw/zinc/27/99/95/158279995.db2.gz MZQWJJGRAOLVHP-MRVPVSSYSA-N 0 0 310.379 0.828 10 0 DCAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H]1COc2ccccc21 ZINC000128642095 158282429 /nfs/dbraw/zinc/28/24/29/158282429.db2.gz XXCKKEFNIZNCSG-MWLCHTKSSA-N 0 0 315.333 0.058 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)C(N)=O ZINC000128859704 158283777 /nfs/dbraw/zinc/28/37/77/158283777.db2.gz PMUDVWCCKGQTFN-RNJOBUHISA-N 0 0 317.393 0.604 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000129052609 158284501 /nfs/dbraw/zinc/28/45/01/158284501.db2.gz FTMYMZIMXVFXNP-NEPJUHHUSA-N 0 0 313.361 0.971 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000129886165 158292037 /nfs/dbraw/zinc/29/20/37/158292037.db2.gz PCUWPNKSVMUYFK-OAHLLOKOSA-N 0 0 319.405 0.621 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000132971154 158315087 /nfs/dbraw/zinc/31/50/87/158315087.db2.gz NWZBTRQMTPRFTQ-PWSUYJOCSA-N 0 0 324.402 0.864 10 0 DCAERN C[C@@H](CCNC(=O)c1csc(S(N)(=O)=O)c1)[S@@](C)=O ZINC000132920220 158315337 /nfs/dbraw/zinc/31/53/37/158315337.db2.gz SBQZXXVEEWQJPS-VIIUKITBSA-N 0 0 324.449 0.282 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)CC(=O)NC)Cc1ccccc1 ZINC000133751137 158322398 /nfs/dbraw/zinc/32/23/98/158322398.db2.gz XQKFBFGEPPQFAS-ZDUSSCGKSA-N 0 0 306.362 0.661 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)s1 ZINC000134044436 158324803 /nfs/dbraw/zinc/32/48/03/158324803.db2.gz QXGCIZKDZXURQK-SNVBAGLBSA-N 0 0 309.391 0.735 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)c1cnn(CC)c1)CC2 ZINC000134854091 158331006 /nfs/dbraw/zinc/33/10/06/158331006.db2.gz ZIQQZZKVGCHMGB-LLVKDONJSA-N 0 0 316.365 0.371 10 0 DCAERN C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1nnc2n1CCCC2 ZINC000135333374 158335002 /nfs/dbraw/zinc/33/50/02/158335002.db2.gz ADIVLFWDNHGLQF-QMMMGPOBSA-N 0 0 302.338 0.532 10 0 DCAERN COc1cc(Br)ccc1C(=O)NC[C@@](C)(O)CO ZINC000135298462 158335179 /nfs/dbraw/zinc/33/51/79/158335179.db2.gz LPYHSZQNUNSUPS-GFCCVEGCSA-N 0 0 318.167 0.931 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000153646802 158349719 /nfs/dbraw/zinc/34/97/19/158349719.db2.gz FEZICHYRUPPKHA-CHWSQXEVSA-N 0 0 305.382 0.577 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CC[S@@](C)=O)C2)n1 ZINC000160439528 158354769 /nfs/dbraw/zinc/35/47/69/158354769.db2.gz SAAXRODYPTVBDM-ASSNKEHSSA-N 0 0 312.439 0.902 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)O)C2)cc1 ZINC000168231136 158371139 /nfs/dbraw/zinc/37/11/39/158371139.db2.gz DURCVLCVLRBYNH-CMPLNLGQSA-N 0 0 312.391 0.438 10 0 DCAERN CCOC(=O)N1CCC(NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000170241077 158373768 /nfs/dbraw/zinc/37/37/68/158373768.db2.gz BOZQBWDLFOJZGV-JTQLQIEISA-N 0 0 321.381 0.647 10 0 DCAERN COCCn1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1 ZINC000170704791 158376231 /nfs/dbraw/zinc/37/62/31/158376231.db2.gz CVSSTYIJGWYXJB-GHMZBOCLSA-N 0 0 309.370 0.647 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171744733 158386563 /nfs/dbraw/zinc/38/65/63/158386563.db2.gz IJWCWHRMDQMCNS-GDBMZVCRSA-N 0 0 317.389 0.956 10 0 DCAERN CC1(C)CN(CCNC(=O)N[C@@H]2CCc3ncnn3C2)CCO1 ZINC000171870193 158387357 /nfs/dbraw/zinc/38/73/57/158387357.db2.gz ZHKJGDBXXACNAU-GFCCVEGCSA-N 0 0 322.413 0.003 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000171770679 158387929 /nfs/dbraw/zinc/38/79/29/158387929.db2.gz TVIKKLITSXBBOY-CYBMUJFWSA-N 0 0 311.382 0.349 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@H]1c2ccccc2NC1=O ZINC000172005022 158389566 /nfs/dbraw/zinc/38/95/66/158389566.db2.gz QTTSEYBYSQPHQI-AAEUAGOBSA-N 0 0 301.346 0.849 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000172091922 158390352 /nfs/dbraw/zinc/39/03/52/158390352.db2.gz SNMDYWJOEWWWDG-VHSXEESVSA-N 0 0 317.436 0.787 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172051656 158390434 /nfs/dbraw/zinc/39/04/34/158390434.db2.gz DJZWFMZEXDTQEF-IUODEOHRSA-N 0 0 318.377 0.196 10 0 DCAERN CC(C)(O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172340141 158394143 /nfs/dbraw/zinc/39/41/43/158394143.db2.gz HEMQGKUAQIKYFX-UHFFFAOYSA-N 0 0 304.306 0.562 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172606086 158396685 /nfs/dbraw/zinc/39/66/85/158396685.db2.gz APIKRFKKMOGRJO-LLVKDONJSA-N 0 0 322.413 0.494 10 0 DCAERN CCOc1cc(C(=O)Nc2ncn(CC(=O)NC)n2)ccc1C ZINC000172670933 158397450 /nfs/dbraw/zinc/39/74/50/158397450.db2.gz QIRBSVGARMRFPE-UHFFFAOYSA-N 0 0 317.349 0.984 10 0 DCAERN Cc1nn(C)cc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000172753165 158398343 /nfs/dbraw/zinc/39/83/43/158398343.db2.gz FAARWTQVHFQARY-AWEZNQCLSA-N 0 0 305.338 0.388 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000172765191 158399859 /nfs/dbraw/zinc/39/98/59/158399859.db2.gz IGRNMGQJKDLPQA-JTQLQIEISA-N 0 0 319.365 0.920 10 0 DCAERN CCOc1cccnc1C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000176423097 158437739 /nfs/dbraw/zinc/43/77/39/158437739.db2.gz VDPOHAMGCKIQRG-UHFFFAOYSA-N 0 0 303.322 0.805 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178388109 158457063 /nfs/dbraw/zinc/45/70/63/158457063.db2.gz REUYTBWGADQVSC-HZSPNIEDSA-N 0 0 303.424 0.980 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H](C)[C@H](C)CO)CC2)n1 ZINC000179430902 158472484 /nfs/dbraw/zinc/47/24/84/158472484.db2.gz WBMCGLWFZKKREM-VXGBXAGGSA-N 0 0 322.409 0.835 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000179562390 158474564 /nfs/dbraw/zinc/47/45/64/158474564.db2.gz VTJVYLJXEPKNOO-UWVGGRQHSA-N 0 0 308.386 0.621 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ncccc1Cl)c2=O ZINC000179669542 158474802 /nfs/dbraw/zinc/47/48/02/158474802.db2.gz GYTOJRNAMJRWHP-UHFFFAOYSA-N 0 0 318.724 0.817 10 0 DCAERN CC(C)COC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000181479304 158486434 /nfs/dbraw/zinc/48/64/34/158486434.db2.gz QQIWJPIOYIUFGW-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN CCOc1c(F)cccc1C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000183516682 158499365 /nfs/dbraw/zinc/49/93/65/158499365.db2.gz UQJGHVYHHQQMBW-GFCCVEGCSA-N 0 0 310.325 0.811 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000183962117 158503286 /nfs/dbraw/zinc/50/32/86/158503286.db2.gz DYCYXUCPYCCIKJ-GFCCVEGCSA-N 0 0 313.427 0.988 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CC(NC(=O)C3CC3)C2)CC1 ZINC000187035879 158535671 /nfs/dbraw/zinc/53/56/71/158535671.db2.gz IRLKGAQGBLTNFR-UHFFFAOYSA-N 0 0 322.409 0.165 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188917303 158548494 /nfs/dbraw/zinc/54/84/94/158548494.db2.gz JYVKJAUHINWPOV-SECBINFHSA-N 0 0 317.349 0.734 10 0 DCAERN COCCN1CCCN(C(=O)c2cnn(CC(C)C)c2)CC1=O ZINC000189052129 158549623 /nfs/dbraw/zinc/54/96/23/158549623.db2.gz MFGDNFUEFGWFNK-UHFFFAOYSA-N 0 0 322.409 0.860 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000190940748 158564533 /nfs/dbraw/zinc/56/45/33/158564533.db2.gz KQIRDTOGTUEZOI-GFCCVEGCSA-N 0 0 323.393 0.847 10 0 DCAERN COC(=O)CC1(CS(=O)(=O)N2CCN3CCC2CC3)CC1 ZINC000191079358 158565891 /nfs/dbraw/zinc/56/58/91/158565891.db2.gz OUHXAYLTDKQAIR-UHFFFAOYSA-N 0 0 316.423 0.440 10 0 DCAERN CCN1CN([C@H]2CCN(c3ccccc3OC)C2=O)CC1=O ZINC000191533309 158569009 /nfs/dbraw/zinc/56/90/09/158569009.db2.gz AMHMQSMWPBDWBK-ZDUSSCGKSA-N 0 0 303.362 0.922 10 0 DCAERN CCN1CN(C(=O)Nc2cccc(-n3nnnc3C)c2)CC1=O ZINC000192045427 158573136 /nfs/dbraw/zinc/57/31/36/158573136.db2.gz JFSQHTZUEALBSQ-UHFFFAOYSA-N 0 0 315.337 0.624 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CCNC[C@H]1c1cccnc1 ZINC000261874010 158749035 /nfs/dbraw/zinc/74/90/35/158749035.db2.gz SSENKXMPBBPFLK-JSGCOSHPSA-N 0 0 311.407 0.394 10 0 DCAERN COc1cc(C(=O)N2CCN[C@H](c3cccnc3)C2)nn1C ZINC000328658248 159017347 /nfs/dbraw/zinc/01/73/47/159017347.db2.gz QRPJSSVNODZJKO-ZDUSSCGKSA-N 0 0 301.350 0.610 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000328661215 159017533 /nfs/dbraw/zinc/01/75/33/159017533.db2.gz ACEGRMNUVNMPOB-INIZCTEOSA-N 0 0 316.361 0.536 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000328665252 159018510 /nfs/dbraw/zinc/01/85/10/159018510.db2.gz ZASGKTALPMEJMR-UONOGXRCSA-N 0 0 305.353 0.919 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@H](C(=O)C2CC2)C1)N1CCCCC1=O ZINC000328681938 159020363 /nfs/dbraw/zinc/02/03/63/159020363.db2.gz OLIJPYULDKNURA-OCCSQVGLSA-N 0 0 322.405 0.984 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)C[C@H]2CCCCNC2=O)CC1 ZINC000328770444 159027909 /nfs/dbraw/zinc/02/79/09/159027909.db2.gz IXRVSINZRBZIMH-VXGBXAGGSA-N 0 0 311.382 0.185 10 0 DCAERN C[C@@H](CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CCCCC1=O ZINC000328774174 159028058 /nfs/dbraw/zinc/02/80/58/159028058.db2.gz RZBMKDLPAYZUGN-WDEREUQCSA-N 0 0 322.365 0.380 10 0 DCAERN C[C@@H](CC(=O)N1CCN(CC(N)=O)CC1)N1CCCCC1=O ZINC000328791116 159029713 /nfs/dbraw/zinc/02/97/13/159029713.db2.gz ZDIBPYWTNNIBQC-LBPRGKRZSA-N 0 0 310.398 0.457 10 0 DCAERN CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)[C@H]2C1 ZINC000328821078 159032225 /nfs/dbraw/zinc/03/22/25/159032225.db2.gz HRBDCAIBJIPGCF-IGQOVBAYSA-N 0 0 318.439 0.289 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)COC3CCOCC3)[C@H]2C1 ZINC000328818841 159032543 /nfs/dbraw/zinc/03/25/43/159032543.db2.gz HFDXHZQPVVIREK-ILXRZTDVSA-N 0 0 313.394 0.977 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC[C@@H]3CCOC3)C[C@H]21 ZINC000328838850 159033238 /nfs/dbraw/zinc/03/32/38/159033238.db2.gz NPEHLJYNCSPWAQ-BFHYXJOUSA-N 0 0 318.439 0.148 10 0 DCAERN Cc1nnc(N2CCS(=O)(=O)[C@@H](C)C2)n1C[C@H]1CCCO1 ZINC000328840597 159034320 /nfs/dbraw/zinc/03/43/20/159034320.db2.gz OHJCOTRJOQLWAJ-CMPLNLGQSA-N 0 0 314.411 0.389 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328872601 159037005 /nfs/dbraw/zinc/03/70/05/159037005.db2.gz DWYGTZCTRGSAGB-QWRGUYRKSA-N 0 0 307.354 0.994 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3c(n2)CCCC3)C1 ZINC000328874829 159037359 /nfs/dbraw/zinc/03/73/59/159037359.db2.gz RUIRPMHBQWPDDT-NSHDSACASA-N 0 0 309.391 0.463 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1scnc1C1CC1 ZINC000328891449 159037985 /nfs/dbraw/zinc/03/79/85/159037985.db2.gz SQGMLTYWVKLCSA-SECBINFHSA-N 0 0 315.420 0.914 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C[C@H]21 ZINC000328911006 159041162 /nfs/dbraw/zinc/04/11/62/159041162.db2.gz NVOLZMURZPFUKJ-ZIAGYGMSSA-N 0 0 302.378 0.899 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCC[C@@H](n2cccn2)C1 ZINC000328926113 159043144 /nfs/dbraw/zinc/04/31/44/159043144.db2.gz FCXFKQDSWCBLFM-VXGBXAGGSA-N 0 0 300.366 0.970 10 0 DCAERN CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000328929037 159043218 /nfs/dbraw/zinc/04/32/18/159043218.db2.gz GYOAQMHXCFQOKF-NMWPEEMBSA-N 0 0 324.421 0.897 10 0 DCAERN CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000328929039 159043322 /nfs/dbraw/zinc/04/33/22/159043322.db2.gz GYOAQMHXCFQOKF-ZQDZILKHSA-N 0 0 324.421 0.897 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)[N@H+](C)C1 ZINC000329010849 159051993 /nfs/dbraw/zinc/05/19/93/159051993.db2.gz IBKOPEHONRIKHH-RDBSUJKOSA-N 0 0 322.409 0.878 10 0 DCAERN CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@H]1CCN(C)C1=O ZINC000329054363 159055775 /nfs/dbraw/zinc/05/57/75/159055775.db2.gz HUFPWCSCEUEJSK-MELADBBJSA-N 0 0 309.410 0.319 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000329146649 159067125 /nfs/dbraw/zinc/06/71/25/159067125.db2.gz XIERFJPXGMJRFK-XJFOESAGSA-N 0 0 321.377 0.607 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)nc1C ZINC000329160504 159068942 /nfs/dbraw/zinc/06/89/42/159068942.db2.gz DUHXKIZPQJMGOV-NSHDSACASA-N 0 0 309.395 0.770 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)NCc1ccnc2ccnn21 ZINC000329236997 159075932 /nfs/dbraw/zinc/07/59/32/159075932.db2.gz JYMDNADFOJLNLH-LBPRGKRZSA-N 0 0 310.379 0.718 10 0 DCAERN CN(C(=O)Cc1nn(C)c(=O)c2ccccc12)[C@H]1CCOC1 ZINC000329267892 159077412 /nfs/dbraw/zinc/07/74/12/159077412.db2.gz GOBNQNQCNCKQRM-NSHDSACASA-N 0 0 301.346 0.723 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@H](Cn2cccn2)C1 ZINC000329271995 159078459 /nfs/dbraw/zinc/07/84/59/159078459.db2.gz IINJNBJNRPQWPO-LBPRGKRZSA-N 0 0 312.333 0.467 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCO[C@@H](C)C2)nn1 ZINC000329308863 159081163 /nfs/dbraw/zinc/08/11/63/159081163.db2.gz BTVVQDBKCBFNHO-CYZMBNFOSA-N 0 0 310.354 0.115 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCOCC4(CC4)C3)nc2n1 ZINC000329316049 159081909 /nfs/dbraw/zinc/08/19/09/159081909.db2.gz SDNMHJMRWGESJU-UHFFFAOYSA-N 0 0 315.377 0.923 10 0 DCAERN O=C([C@@H]1COCCO1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000329406478 159089857 /nfs/dbraw/zinc/08/98/57/159089857.db2.gz AYPCPVHJVRNEAA-YPMHNXCESA-N 0 0 306.366 0.734 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329434069 159092569 /nfs/dbraw/zinc/09/25/69/159092569.db2.gz LGZSTEDOLPUUPJ-GRYCIOLGSA-N 0 0 305.396 0.216 10 0 DCAERN C[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)CCS1(=O)=O ZINC000329469136 159095832 /nfs/dbraw/zinc/09/58/32/159095832.db2.gz XHFFWBPUFXSYHK-NEPJUHHUSA-N 0 0 321.464 0.934 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@@](F)(CO)C1 ZINC000329502839 159097894 /nfs/dbraw/zinc/09/78/94/159097894.db2.gz WGVVCXFLXSRKTH-HNNXBMFYSA-N 0 0 321.356 0.851 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329515747 159098675 /nfs/dbraw/zinc/09/86/75/159098675.db2.gz ORUQSHAKEJNJOS-BJDJZHNGSA-N 0 0 304.337 0.182 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2Cn2ccnc2)O1 ZINC000329532870 159099868 /nfs/dbraw/zinc/09/98/68/159099868.db2.gz KCHBCVYOXNCIBV-MJBXVCDLSA-N 0 0 320.393 0.510 10 0 DCAERN O=C(c1cccnc1)N1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329524046 159100194 /nfs/dbraw/zinc/10/01/94/159100194.db2.gz RYOYZCZRLWRSEX-ZNMIVQPWSA-N 0 0 315.373 0.791 10 0 DCAERN Cn1nnc2c1C[C@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329539867 159100621 /nfs/dbraw/zinc/10/06/21/159100621.db2.gz WHAIKWZYUAPCRO-MFKMUULPSA-N 0 0 315.381 0.143 10 0 DCAERN Cn1nnc2c1C[C@@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329539862 159100783 /nfs/dbraw/zinc/10/07/83/159100783.db2.gz WHAIKWZYUAPCRO-GWCFXTLKSA-N 0 0 315.381 0.143 10 0 DCAERN C[C@H]1CCCN(C(=O)c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000329559149 159102283 /nfs/dbraw/zinc/10/22/83/159102283.db2.gz FNFOMHRLXHMFPB-RYUDHWBXSA-N 0 0 305.382 0.614 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)nn1 ZINC000329591342 159105496 /nfs/dbraw/zinc/10/54/96/159105496.db2.gz YWAVSHOLECNURM-ZMJPVWNMSA-N 0 0 308.382 0.983 10 0 DCAERN CCN1CC[C@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000329616996 159107485 /nfs/dbraw/zinc/10/74/85/159107485.db2.gz FTVPYBBHUWGRCX-NSHDSACASA-N 0 0 312.391 0.830 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329695760 159113012 /nfs/dbraw/zinc/11/30/12/159113012.db2.gz XPWWRIPXQCWPRF-ZIAGYGMSSA-N 0 0 305.382 0.528 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)COC[C@@H]3CCOC3)CCO2)[nH]1 ZINC000329730003 159115226 /nfs/dbraw/zinc/11/52/26/159115226.db2.gz HUPPBSBSCPIGDI-NEPJUHHUSA-N 0 0 324.381 0.320 10 0 DCAERN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000329753681 159117305 /nfs/dbraw/zinc/11/73/05/159117305.db2.gz WWHBCMMPPPVLGO-CZUORRHYSA-N 0 0 309.410 0.036 10 0 DCAERN O=C(C[C@@H]1CCOC1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000329823019 159121853 /nfs/dbraw/zinc/12/18/53/159121853.db2.gz HLYCVSHBLMHHRH-UONOGXRCSA-N 0 0 310.394 0.510 10 0 DCAERN CN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H]1CCOC1 ZINC000329892734 159126775 /nfs/dbraw/zinc/12/67/75/159126775.db2.gz JDIAOZNMIUWAKX-GFCCVEGCSA-N 0 0 304.350 0.719 10 0 DCAERN Cc1c([C@@H]2[C@@H](C(=O)N3CCC[C@@H](O)C3)CC(=O)N2C)cnn1C ZINC000329918807 159128690 /nfs/dbraw/zinc/12/86/90/159128690.db2.gz AKBVODWTUGWWFN-XUJVJEKNSA-N 0 0 320.393 0.231 10 0 DCAERN Cc1ccnc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000329978637 159133093 /nfs/dbraw/zinc/13/30/93/159133093.db2.gz HXOJTUBYNGZZRR-AWEZNQCLSA-N 0 0 304.394 0.969 10 0 DCAERN C[C@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1N1CCOCC1 ZINC000330092105 159140846 /nfs/dbraw/zinc/14/08/46/159140846.db2.gz QMZRORHYWXINRG-SWLSCSKDSA-N 0 0 315.377 0.522 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000330104977 159142459 /nfs/dbraw/zinc/14/24/59/159142459.db2.gz JIALIPZCAZIMNN-IJEWVQPXSA-N 0 0 315.373 0.992 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC[C@@](C)(O)C2)cn1 ZINC000330157683 159146514 /nfs/dbraw/zinc/14/65/14/159146514.db2.gz PNRGMSFEGPQVAC-SQWLQELKSA-N 0 0 323.393 0.590 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC[C@@H](O)C1CC1 ZINC000330202718 159150004 /nfs/dbraw/zinc/15/00/04/159150004.db2.gz ZQVXFWYMTDBLMI-ZIAGYGMSSA-N 0 0 318.439 0.468 10 0 DCAERN CCc1nc(CN2CCN([C@H]3CCN(C4CC4)C3=O)CC2)no1 ZINC000330214222 159150653 /nfs/dbraw/zinc/15/06/53/159150653.db2.gz GATTWYJSEAYBON-ZDUSSCGKSA-N 0 0 319.409 0.513 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330263804 159154948 /nfs/dbraw/zinc/15/49/48/159154948.db2.gz XAKVCQJAFOBPRC-MRVPVSSYSA-N 0 0 316.291 0.733 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1N1C(=O)N2CCC[C@]2(C)C1=O ZINC000330315250 159158760 /nfs/dbraw/zinc/15/87/60/159158760.db2.gz YNSHEWQGFSZCKV-LALPHHSUSA-N 0 0 312.366 0.624 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330393571 159167618 /nfs/dbraw/zinc/16/76/18/159167618.db2.gz KTOFEQJORMIXNL-LBPRGKRZSA-N 0 0 318.439 0.780 10 0 DCAERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000332751342 159212340 /nfs/dbraw/zinc/21/23/40/159212340.db2.gz CCMUSSYZOSRWSR-JGGQBBKZSA-N 0 0 307.394 0.866 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@H](n2cncn2)C1 ZINC000332915821 159217155 /nfs/dbraw/zinc/21/71/55/159217155.db2.gz TVONQLPLIOZEPA-STQMWFEESA-N 0 0 315.381 0.905 10 0 DCAERN CC[C@](C)(O)CNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000359248312 159256219 /nfs/dbraw/zinc/25/62/19/159256219.db2.gz GOTFBWRFNQJYIR-YMEQNVIZSA-N 0 0 310.394 0.827 10 0 DCAERN CN(CCCO)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000367011616 159304801 /nfs/dbraw/zinc/30/48/01/159304801.db2.gz SPYUKLWNYBVNGV-LBPRGKRZSA-N 0 0 320.393 0.388 10 0 DCAERN CCn1ncnc1CN1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367139003 159316853 /nfs/dbraw/zinc/31/68/53/159316853.db2.gz UQXAXLWEMNFSCZ-LLVKDONJSA-N 0 0 301.416 0.154 10 0 DCAERN O=C(Nc1nc2c(s1)C(=O)CCC2)[C@@H]1CN2CCN1CCC2 ZINC000367201435 159320841 /nfs/dbraw/zinc/32/08/41/159320841.db2.gz PGLVECFUULASNB-NSHDSACASA-N 0 0 320.418 0.991 10 0 DCAERN O=C(Nc1nc2c(s1)C(=O)CCC2)[C@H]1CN2CCN1CCC2 ZINC000367201434 159321475 /nfs/dbraw/zinc/32/14/75/159321475.db2.gz PGLVECFUULASNB-LLVKDONJSA-N 0 0 320.418 0.991 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000367655805 159349526 /nfs/dbraw/zinc/34/95/26/159349526.db2.gz CZIAGJUKARSXKV-NSHDSACASA-N 0 0 311.382 0.734 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000367740599 159353613 /nfs/dbraw/zinc/35/36/13/159353613.db2.gz LUKOJJAKQSPUJO-JTQLQIEISA-N 0 0 316.379 0.580 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC[C@](F)(CO)C1)N1CCCC1=O ZINC000367862190 159360867 /nfs/dbraw/zinc/36/08/67/159360867.db2.gz HBOQCZNDHBRWKN-UKRRQHHQSA-N 0 0 300.374 0.956 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](CO)C1 ZINC000368043327 159371848 /nfs/dbraw/zinc/37/18/48/159371848.db2.gz GLKOANYRCQXDBI-JHJVBQTASA-N 0 0 318.439 0.756 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189776830 286754461 /nfs/dbraw/zinc/75/44/61/286754461.db2.gz DNUZPMXSWXFPDK-ZIAGYGMSSA-N 0 0 323.437 0.962 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000368415102 159392906 /nfs/dbraw/zinc/39/29/06/159392906.db2.gz YHVQOXWWEYAKRS-KGLIPLIRSA-N 0 0 309.410 0.178 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](CN2CCc3ccc(CO)cc32)C1 ZINC000368479873 159397032 /nfs/dbraw/zinc/39/70/32/159397032.db2.gz XHMAULVAXITNSY-ZDUSSCGKSA-N 0 0 310.419 0.823 10 0 DCAERN O=C(NCc1ccc(Cl)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000368483594 159397314 /nfs/dbraw/zinc/39/73/14/159397314.db2.gz TTXAPJZSZSFNQV-LBPRGKRZSA-N 0 0 310.785 0.961 10 0 DCAERN C[C@@H](C(=O)N(C)C[C@H]1CCCO1)N1C(=O)NC2(CCCC2)C1=O ZINC000368901891 159425960 /nfs/dbraw/zinc/42/59/60/159425960.db2.gz QFIWYVDDNUTNET-NWDGAFQWSA-N 0 0 323.393 0.877 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC000369858233 159481944 /nfs/dbraw/zinc/48/19/44/159481944.db2.gz WGTHQSDNVIQMQQ-RYUDHWBXSA-N 0 0 319.409 0.760 10 0 DCAERN C[C@]1(c2ccccc2)CN(C(=O)CN2CCOCC2=O)CCO1 ZINC000370033753 159493814 /nfs/dbraw/zinc/49/38/14/159493814.db2.gz SLPIYIYFUMLVHE-QGZVFWFLSA-N 0 0 318.373 0.619 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCO1 ZINC000370539203 159525076 /nfs/dbraw/zinc/52/50/76/159525076.db2.gz RBGVVPRFNHUJMT-RNJOBUHISA-N 0 0 312.366 0.527 10 0 DCAERN COC(=O)c1cccc(CC(=O)N2CC(n3ccnn3)C2)c1 ZINC000371556113 159573158 /nfs/dbraw/zinc/57/31/58/159573158.db2.gz WVAYNVQAAQZAFO-UHFFFAOYSA-N 0 0 300.318 0.691 10 0 DCAERN O=C(c1cccc(-n2ccnn2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000371790071 159584974 /nfs/dbraw/zinc/58/49/74/159584974.db2.gz VIJDKIHVQCHKAR-HNNXBMFYSA-N 0 0 313.361 0.424 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000373069527 159659116 /nfs/dbraw/zinc/65/91/16/159659116.db2.gz JUGCIWJMTNHOCQ-UTUOFQBUSA-N 0 0 312.366 0.034 10 0 DCAERN COC(=O)Cc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000375287317 159781853 /nfs/dbraw/zinc/78/18/53/159781853.db2.gz NPDXSGSLIVBJKB-OAHLLOKOSA-N 0 0 318.373 0.559 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375574124 159802158 /nfs/dbraw/zinc/80/21/58/159802158.db2.gz LSQBGMZQQZEOSF-LLVKDONJSA-N 0 0 304.350 0.789 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N1CC(n2ccnn2)C1 ZINC000377230480 159907247 /nfs/dbraw/zinc/90/72/47/159907247.db2.gz BOKYBKHGMASMMA-UHFFFAOYSA-N 0 0 303.297 0.231 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC(=O)N1C ZINC000407973882 159999852 /nfs/dbraw/zinc/99/98/52/159999852.db2.gz ZGFICWOVJZUHHO-JTQLQIEISA-N 0 0 306.366 0.510 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1=O ZINC000407972176 160000136 /nfs/dbraw/zinc/00/01/36/160000136.db2.gz SGXPAVJZTMZVKN-NEPJUHHUSA-N 0 0 309.410 0.713 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000407973082 160000201 /nfs/dbraw/zinc/00/02/01/160000201.db2.gz OZALTZYMEQWLKM-OLZOCXBDSA-N 0 0 318.439 0.876 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 ZINC000407975810 160000625 /nfs/dbraw/zinc/00/06/25/160000625.db2.gz YANSYPZGDMLMRH-STQMWFEESA-N 0 0 318.439 0.732 10 0 DCAERN CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000407979476 160001735 /nfs/dbraw/zinc/00/17/35/160001735.db2.gz AMGBTDIQQFDXLQ-UHFFFAOYSA-N 0 0 324.402 0.799 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000407978811 160001795 /nfs/dbraw/zinc/00/17/95/160001795.db2.gz HQCBDBRUJRHSQP-WCQYABFASA-N 0 0 309.410 0.522 10 0 DCAERN C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000407990830 160004695 /nfs/dbraw/zinc/00/46/95/160004695.db2.gz MQUUNARHMLATQD-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN CNS(=O)(=O)CCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000407993307 160005000 /nfs/dbraw/zinc/00/50/00/160005000.db2.gz NWMKOIAPJVKHSZ-YNEHKIRRSA-N 0 0 306.428 0.194 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000407997105 160006251 /nfs/dbraw/zinc/00/62/51/160006251.db2.gz OBKCFCMWADVVMZ-SCRDCRAPSA-N 0 0 308.334 0.161 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cncc(F)c2)C1 ZINC000407997218 160006449 /nfs/dbraw/zinc/00/64/49/160006449.db2.gz NAHWKEIBRVOUGN-LLVKDONJSA-N 0 0 301.343 0.510 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H](CO)c2cnn(C)c2)C1 ZINC000408006243 160008775 /nfs/dbraw/zinc/00/87/75/160008775.db2.gz ZCEUFCFRBMATNX-ZYHUDNBSSA-N 0 0 302.400 0.020 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCCOCC1 ZINC000408006344 160009116 /nfs/dbraw/zinc/00/91/16/160009116.db2.gz YAIPCMKOCCHURJ-CYBMUJFWSA-N 0 0 305.382 0.877 10 0 DCAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000408008783 160009633 /nfs/dbraw/zinc/00/96/33/160009633.db2.gz GAIFQOJRURXEBB-DGCLKSJQSA-N 0 0 312.435 0.919 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)CC(C)(C)O1 ZINC000408025919 160015092 /nfs/dbraw/zinc/01/50/92/160015092.db2.gz FEAVWTXZQYFOSN-NEPJUHHUSA-N 0 0 307.412 0.479 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CO)cc12 ZINC000408029463 160015647 /nfs/dbraw/zinc/01/56/47/160015647.db2.gz CDYSFDDSQJULQR-IUCAKERBSA-N 0 0 315.326 0.625 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N(C)CC2CC2)CC(C)(C)O1 ZINC000408028687 160015675 /nfs/dbraw/zinc/01/56/75/160015675.db2.gz UHXZYMYVFBBRMZ-GFCCVEGCSA-N 0 0 306.428 0.699 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408027890 160016020 /nfs/dbraw/zinc/01/60/20/160016020.db2.gz PMVQZHTXDROXDL-XDQVBPFNSA-N 0 0 320.455 0.945 10 0 DCAERN Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1F ZINC000408032231 160016611 /nfs/dbraw/zinc/01/66/11/160016611.db2.gz TYQBMCKZZDELET-NXEZZACHSA-N 0 0 300.355 0.876 10 0 DCAERN C[C@@H]1[C@@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1(F)F ZINC000408037018 160018847 /nfs/dbraw/zinc/01/88/47/160018847.db2.gz XOIDQMRWDOGESH-JFGNBEQYSA-N 0 0 300.309 0.533 10 0 DCAERN COC(=O)C1CCC(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000408042290 160020991 /nfs/dbraw/zinc/02/09/91/160020991.db2.gz KGZKBEBVXBCHOO-HTAVTVPLSA-N 0 0 317.407 0.611 10 0 DCAERN O[C@@H]1CCCC[C@H]1[C@H]1COCCN1Cc1nnnn1C1CC1 ZINC000408045206 160021542 /nfs/dbraw/zinc/02/15/42/160021542.db2.gz QIEWTQYYLDSXNC-BFHYXJOUSA-N 0 0 307.398 0.760 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)C1 ZINC000408048780 160022478 /nfs/dbraw/zinc/02/24/78/160022478.db2.gz PTQLPJDZNVWPKO-IHRRRGAJSA-N 0 0 309.410 0.618 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C[C@@H](F)C[C@H]1CO ZINC000408047178 160023054 /nfs/dbraw/zinc/02/30/54/160023054.db2.gz OKLJHYLMFMOFGN-MROQNXINSA-N 0 0 315.389 0.796 10 0 DCAERN CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408047199 160023168 /nfs/dbraw/zinc/02/31/68/160023168.db2.gz FRXZXTBPHONDPM-NEPJUHHUSA-N 0 0 313.423 0.235 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2nc(C3CC3)nc3c2CCC3)C1 ZINC000408049966 160023392 /nfs/dbraw/zinc/02/33/92/160023392.db2.gz HDZXZCLDVFFFMT-LLVKDONJSA-N 0 0 322.434 0.971 10 0 DCAERN CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000408054445 160024563 /nfs/dbraw/zinc/02/45/63/160024563.db2.gz SFRZOFMNFILXNT-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)Cc2nccn2C)[C@@H](C)CO1 ZINC000408056334 160025030 /nfs/dbraw/zinc/02/50/30/160025030.db2.gz GFGFSIIDNHLDIQ-QWRGUYRKSA-N 0 0 302.400 0.206 10 0 DCAERN NC(=O)NC1(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000408058326 160025860 /nfs/dbraw/zinc/02/58/60/160025860.db2.gz ALKKQYXLPIIHEE-LLVKDONJSA-N 0 0 308.382 0.048 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000408063707 160026745 /nfs/dbraw/zinc/02/67/45/160026745.db2.gz RXTNCIVMWHSZKD-OLZOCXBDSA-N 0 0 305.382 0.700 10 0 DCAERN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000408067998 160027328 /nfs/dbraw/zinc/02/73/28/160027328.db2.gz GHXLXYOEZKTFCJ-QWHCGFSZSA-N 0 0 314.389 0.948 10 0 DCAERN CCn1nncc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408073408 160029313 /nfs/dbraw/zinc/02/93/13/160029313.db2.gz LKNWHYQJBVUACR-BNOWGMLFSA-N 0 0 308.382 0.690 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000408078030 160030898 /nfs/dbraw/zinc/03/08/98/160030898.db2.gz GAUPLTWVKQRAOU-YNEHKIRRSA-N 0 0 318.439 0.874 10 0 DCAERN COC(=O)c1cnc(C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000408078450 160031287 /nfs/dbraw/zinc/03/12/87/160031287.db2.gz CAELNKKSWAKFOL-LLVKDONJSA-N 0 0 304.350 0.574 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408082434 160031391 /nfs/dbraw/zinc/03/13/91/160031391.db2.gz PTTLMQXUQPKCOJ-OAHLLOKOSA-N 0 0 305.378 0.791 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000408083488 160032027 /nfs/dbraw/zinc/03/20/27/160032027.db2.gz WMBNZGIPGLNRAL-GFCCVEGCSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@@H]1O ZINC000408089796 160033246 /nfs/dbraw/zinc/03/32/46/160033246.db2.gz AKNWQIOXOQIUSA-KCJUWKMLSA-N 0 0 316.354 0.316 10 0 DCAERN C[C@H]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)C[C@@H]1O ZINC000408094107 160034074 /nfs/dbraw/zinc/03/40/74/160034074.db2.gz FKDZMGZWMSJJML-CBAPKCEASA-N 0 0 304.393 0.238 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)o1 ZINC000408097340 160034842 /nfs/dbraw/zinc/03/48/42/160034842.db2.gz KUSVNNBXIIGLNM-ZDUSSCGKSA-N 0 0 314.407 0.931 10 0 DCAERN C[C@@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C[C@H]1O ZINC000408096252 160035076 /nfs/dbraw/zinc/03/50/76/160035076.db2.gz YIKGOVVEXABYBH-CHWSQXEVSA-N 0 0 314.451 0.961 10 0 DCAERN Cc1nnc(CN2CCN(CC(=O)N3CCCCC3)CC2)s1 ZINC000408099166 160036000 /nfs/dbraw/zinc/03/60/00/160036000.db2.gz XZIMVKQSIDORNO-UHFFFAOYSA-N 0 0 323.466 0.977 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1O ZINC000408105154 160036404 /nfs/dbraw/zinc/03/64/04/160036404.db2.gz ODUWYJDJOFRINL-VOAKCMCISA-N 0 0 313.398 0.035 10 0 DCAERN CN(C)C(=O)c1ccc(N2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000408103387 160036589 /nfs/dbraw/zinc/03/65/89/160036589.db2.gz AJXYJYXXKASFPY-MRXNPFEDSA-N 0 0 302.378 0.890 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000408106948 160037275 /nfs/dbraw/zinc/03/72/75/160037275.db2.gz MFPBXQVMWXGIMM-RXGFPQBGSA-N 0 0 320.455 0.990 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408110062 160037899 /nfs/dbraw/zinc/03/78/99/160037899.db2.gz KPOWHCRXWAZWSK-INTQDDNPSA-N 0 0 311.382 0.493 10 0 DCAERN C[C@@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000408112038 160038169 /nfs/dbraw/zinc/03/81/69/160038169.db2.gz JBQYBLWJBYRLGK-GFCCVEGCSA-N 0 0 318.782 0.584 10 0 DCAERN C[C@H]1CN(c2ccc(S(C)(=O)=O)cn2)CCS(=O)(=O)C1 ZINC000408109366 160038246 /nfs/dbraw/zinc/03/82/46/160038246.db2.gz FIPHSELZYINPLM-JTQLQIEISA-N 0 0 318.420 0.356 10 0 DCAERN O=C(c1cncc(N2CCOCC2)c1)N1CCC[C@](F)(CO)C1 ZINC000408121433 160041163 /nfs/dbraw/zinc/04/11/63/160041163.db2.gz NKZWXCKIJXKSIS-MRXNPFEDSA-N 0 0 323.368 0.855 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2CCOC(C)(C)C2)cnn1C ZINC000408123111 160042180 /nfs/dbraw/zinc/04/21/80/160042180.db2.gz NKODZCPVFUPXCI-JTQLQIEISA-N 0 0 316.427 0.735 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000408129452 160043550 /nfs/dbraw/zinc/04/35/50/160043550.db2.gz PPHOHYMQPAKMNW-GHMZBOCLSA-N 0 0 313.423 0.283 10 0 DCAERN CCC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCOCC1 ZINC000408144938 160047656 /nfs/dbraw/zinc/04/76/56/160047656.db2.gz DUVKUTPJKNVBJO-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c(C)o1 ZINC000408145743 160047658 /nfs/dbraw/zinc/04/76/58/160047658.db2.gz KOQPESXRLFXVOF-JTQLQIEISA-N 0 0 322.408 0.338 10 0 DCAERN C[C@@H]1CN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CCO1 ZINC000408148648 160048631 /nfs/dbraw/zinc/04/86/31/160048631.db2.gz HOPKWFLVETZTHL-VOMCLLRMSA-N 0 0 304.412 0.773 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000408152872 160049391 /nfs/dbraw/zinc/04/93/91/160049391.db2.gz FXELRQBJLXFJSO-CHWSQXEVSA-N 0 0 317.455 0.954 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CC1 ZINC000408159336 160049934 /nfs/dbraw/zinc/04/99/34/160049934.db2.gz PIMAQXWYRIREQD-GFCCVEGCSA-N 0 0 319.409 0.104 10 0 DCAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC(=O)N1 ZINC000408161676 160050096 /nfs/dbraw/zinc/05/00/96/160050096.db2.gz OUUOBFZNCFDIKN-ZJUUUORDSA-N 0 0 316.361 0.730 10 0 DCAERN CC(=O)NC1CN(C(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000408162741 160050272 /nfs/dbraw/zinc/05/02/72/160050272.db2.gz YVSINASFULFWLB-UHFFFAOYSA-N 0 0 307.316 0.608 10 0 DCAERN CC[C@@H]1C[C@H](CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408170645 160052014 /nfs/dbraw/zinc/05/20/14/160052014.db2.gz VOOIXKHVYSQFPN-JHJVBQTASA-N 0 0 318.439 0.732 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C ZINC000408175178 160052680 /nfs/dbraw/zinc/05/26/80/160052680.db2.gz XLMKCRQSIZYWIS-CYBMUJFWSA-N 0 0 320.393 0.738 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408173999 160052808 /nfs/dbraw/zinc/05/28/08/160052808.db2.gz OUAMQNNWRZRELE-SNVBAGLBSA-N 0 0 311.382 0.517 10 0 DCAERN COC(=O)C1(CNC(=O)N2CCOC[C@@H]2C)CCOCC1 ZINC000408171907 160052863 /nfs/dbraw/zinc/05/28/63/160052863.db2.gz PIEOIORHWLELQA-NSHDSACASA-N 0 0 300.355 0.387 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408182015 160054697 /nfs/dbraw/zinc/05/46/97/160054697.db2.gz HQEQIIFJOHIKTP-REWMRKHYSA-N 0 0 301.412 0.065 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000408184244 160055101 /nfs/dbraw/zinc/05/51/01/160055101.db2.gz AKPMRWBZIMDVQI-NEPJUHHUSA-N 0 0 316.423 0.628 10 0 DCAERN CCc1c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408189517 160055708 /nfs/dbraw/zinc/05/57/08/160055708.db2.gz XFICYPJASDDRIN-ZMLRMANQSA-N 0 0 305.378 0.827 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](CC)C2)C1 ZINC000408192249 160056707 /nfs/dbraw/zinc/05/67/07/160056707.db2.gz KXSMDXUWRBAGTO-RWMBFGLXSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408198087 160057587 /nfs/dbraw/zinc/05/75/87/160057587.db2.gz PIODQYBQCIQGRP-GHMZBOCLSA-N 0 0 316.423 0.327 10 0 DCAERN CC[C@H]1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408201361 160058122 /nfs/dbraw/zinc/05/81/22/160058122.db2.gz DVLAICRFHRPSHN-STQMWFEESA-N 0 0 317.393 0.430 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N(C)CC2CC2)C1 ZINC000408200882 160058207 /nfs/dbraw/zinc/05/82/07/160058207.db2.gz FIVLKCRNPHQWOF-LBPRGKRZSA-N 0 0 303.428 0.564 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408201620 160058240 /nfs/dbraw/zinc/05/82/40/160058240.db2.gz FZJYMJDAGFVVGE-AGIUHOORSA-N 0 0 309.410 0.664 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[S@](=O)[C@@H](C)C1 ZINC000408210993 160060761 /nfs/dbraw/zinc/06/07/61/160060761.db2.gz LZXNCCCYUADAKW-MKXJDEKUSA-N 0 0 303.428 0.310 10 0 DCAERN C[C@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CC[S@]1=O ZINC000408211099 160061031 /nfs/dbraw/zinc/06/10/31/160061031.db2.gz MSALJGGJNOWSHG-KPWVOAKYSA-N 0 0 321.402 0.425 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408213375 160061656 /nfs/dbraw/zinc/06/16/56/160061656.db2.gz AVAYMBLCSOZOEO-JTQLQIEISA-N 0 0 313.379 0.624 10 0 DCAERN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000408222925 160063174 /nfs/dbraw/zinc/06/31/74/160063174.db2.gz RZYVAIACCXHYFA-ZUZCIYMTSA-N 0 0 311.382 0.232 10 0 DCAERN CCc1c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408227826 160064152 /nfs/dbraw/zinc/06/41/52/160064152.db2.gz ZEJLAZCFFIIXEC-NWDGAFQWSA-N 0 0 320.393 0.139 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2[C@H](C)C2(F)F)CC1 ZINC000408230106 160064924 /nfs/dbraw/zinc/06/49/24/160064924.db2.gz BXTXFMYHSAOWLS-HOSYDEDBSA-N 0 0 315.364 0.699 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2[C@H](C)C2(F)F)C1 ZINC000408231256 160064979 /nfs/dbraw/zinc/06/49/79/160064979.db2.gz LSVPBWWHUCVQSM-IVZWLZJFSA-N 0 0 310.366 0.816 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000408233511 160065690 /nfs/dbraw/zinc/06/56/90/160065690.db2.gz VJFMTHZAFRWIEE-GFCCVEGCSA-N 0 0 315.370 0.316 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@@H](O)C1(C)C ZINC000408246346 160068506 /nfs/dbraw/zinc/06/85/06/160068506.db2.gz JEVCVBWGGQUKBU-WCBMZHEXSA-N 0 0 311.411 0.860 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CN2CCCCCC2=O)CC1=O ZINC000408249130 160068975 /nfs/dbraw/zinc/06/89/75/160068975.db2.gz YVLRCGGENJZVFA-FRRDWIJNSA-N 0 0 307.394 0.515 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C1CCC(=O)CC1 ZINC000408248780 160069290 /nfs/dbraw/zinc/06/92/90/160069290.db2.gz KAMTXBMYBMTOTB-WCQYABFASA-N 0 0 316.423 0.580 10 0 DCAERN COCC[C@@H](C)S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408249096 160069436 /nfs/dbraw/zinc/06/94/36/160069436.db2.gz YRUMZEBFDCYJRA-BDAKNGLRSA-N 0 0 305.318 0.740 10 0 DCAERN CNC(=O)N[C@H]1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256101 160070437 /nfs/dbraw/zinc/07/04/37/160070437.db2.gz KGRSMRLQOZEQNE-IUCAKERBSA-N 0 0 308.304 0.153 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000408258597 160070589 /nfs/dbraw/zinc/07/05/89/160070589.db2.gz YSJOOMSAUADMJE-DGAVXFQQSA-N 0 0 308.378 0.655 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCN3C(=O)N=NC3C2)c1F ZINC000408257841 160070652 /nfs/dbraw/zinc/07/06/52/160070652.db2.gz SMCDFPMEOIHPLO-UHFFFAOYSA-N 0 0 312.326 0.636 10 0 DCAERN CO[C@@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(C)C ZINC000408255918 160070866 /nfs/dbraw/zinc/07/08/66/160070866.db2.gz JOTGQYXOHWXRHY-NSHDSACASA-N 0 0 313.441 0.154 10 0 DCAERN C[C@H](CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)[S@@](C)=O ZINC000408258762 160071386 /nfs/dbraw/zinc/07/13/86/160071386.db2.gz AYZPCXWPLPNKEO-DQCMRGAYSA-N 0 0 315.439 0.455 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)c2cn(C)cn2)CC[S@@]1=O ZINC000408270182 160072634 /nfs/dbraw/zinc/07/26/34/160072634.db2.gz OHEDELFOWZUPPT-IBGZPJMESA-N 0 0 319.452 0.732 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000408275320 160074277 /nfs/dbraw/zinc/07/42/77/160074277.db2.gz XSYOZAQGHCLAOO-HNNXBMFYSA-N 0 0 323.324 0.948 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408274339 160074323 /nfs/dbraw/zinc/07/43/23/160074323.db2.gz KMGZVGWVVAEXNO-AAEUAGOBSA-N 0 0 320.411 0.011 10 0 DCAERN Cn1nccc1C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408276266 160074710 /nfs/dbraw/zinc/07/47/10/160074710.db2.gz GDRZZGPPWIFNPY-VHSXEESVSA-N 0 0 300.384 0.010 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000408294217 160078409 /nfs/dbraw/zinc/07/84/09/160078409.db2.gz LCWJFVFBIGVXRI-AVGNSLFASA-N 0 0 320.393 0.733 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(C(C)=O)C2)C[C@@H]1C ZINC000408297301 160079133 /nfs/dbraw/zinc/07/91/33/160079133.db2.gz HOFWOFVKHMUDRJ-WCFLWFBJSA-N 0 0 311.382 0.448 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000408296881 160079285 /nfs/dbraw/zinc/07/92/85/160079285.db2.gz CXZIVPLXMYPRRZ-ZDUSSCGKSA-N 0 0 305.382 0.665 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000408302993 160080093 /nfs/dbraw/zinc/08/00/93/160080093.db2.gz LHLROQQNIBBHMN-OLZOCXBDSA-N 0 0 305.382 0.920 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)C1 ZINC000408302453 160080140 /nfs/dbraw/zinc/08/01/40/160080140.db2.gz GIVHRWAIOXZDDI-XQQFMLRXSA-N 0 0 310.398 0.341 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1c[nH]nc1[C@H]1CCOC1)CCO2 ZINC000408300605 160080185 /nfs/dbraw/zinc/08/01/85/160080185.db2.gz YQEHVHUDEAQHTE-MKBNYLNASA-N 0 0 321.377 0.934 10 0 DCAERN NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H]3CCSC3)C2)n[nH]1 ZINC000408305372 160080495 /nfs/dbraw/zinc/08/04/95/160080495.db2.gz JJCFXUNHWKEGRY-UWVGGRQHSA-N 0 0 308.407 0.968 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000408303392 160080651 /nfs/dbraw/zinc/08/06/51/160080651.db2.gz OWYZPYOIHNLWSG-IJLUTSLNSA-N 0 0 316.423 0.560 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000408306394 160081633 /nfs/dbraw/zinc/08/16/33/160081633.db2.gz CWIMFSHDVKNSNC-NSHDSACASA-N 0 0 317.455 0.856 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCC[C@H](Cn2cncn2)C1 ZINC000408323162 160084750 /nfs/dbraw/zinc/08/47/50/160084750.db2.gz XORWESFVAZOQOP-SECBINFHSA-N 0 0 312.317 0.882 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@]2(CCOC2)O1 ZINC000408325781 160085343 /nfs/dbraw/zinc/08/53/43/160085343.db2.gz DZROHMMXWNOVQL-BONVTDFDSA-N 0 0 308.334 0.789 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCc3c(ncn(C)c3=O)C2)n1 ZINC000408325227 160085508 /nfs/dbraw/zinc/08/55/08/160085508.db2.gz XWDMTXGAANNTFW-GFCCVEGCSA-N 0 0 315.377 0.740 10 0 DCAERN CSc1c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cnn1C ZINC000408330752 160086025 /nfs/dbraw/zinc/08/60/25/160086025.db2.gz TWDKPGWFSCTABD-AAEUAGOBSA-N 0 0 324.450 0.935 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000408331439 160086687 /nfs/dbraw/zinc/08/66/87/160086687.db2.gz XBTWROMKBGGSPB-WCQYABFASA-N 0 0 318.439 0.684 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000408337482 160087787 /nfs/dbraw/zinc/08/77/87/160087787.db2.gz GNFZMLDPTWYNFK-ZUZCIYMTSA-N 0 0 311.382 0.374 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)[S@](C)=O ZINC000408341162 160088217 /nfs/dbraw/zinc/08/82/17/160088217.db2.gz ZBRKZUHCNUWGSB-DPNGTGFASA-N 0 0 312.457 0.087 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000408346816 160089010 /nfs/dbraw/zinc/08/90/10/160089010.db2.gz UWDSQAASLGSETI-UHFFFAOYSA-N 0 0 308.403 0.952 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)CC(=O)N1 ZINC000408343787 160089013 /nfs/dbraw/zinc/08/90/13/160089013.db2.gz SDVRMPOUMHHBQU-MVGBHHAFSA-N 0 0 300.424 0.659 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408348654 160089664 /nfs/dbraw/zinc/08/96/64/160089664.db2.gz CVIANKVZZUOZNH-ABAIWWIYSA-N 0 0 309.366 0.082 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000408353501 160090578 /nfs/dbraw/zinc/09/05/78/160090578.db2.gz BPGNRROKHMTPAZ-SJHCENCUSA-N 0 0 322.409 0.339 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H]1O ZINC000408366506 160093164 /nfs/dbraw/zinc/09/31/64/160093164.db2.gz PEKKJZZNAAJCSS-FVCCEPFGSA-N 0 0 318.439 0.755 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000408367792 160093373 /nfs/dbraw/zinc/09/33/73/160093373.db2.gz XUZPLENUASOOAL-OLZOCXBDSA-N 0 0 305.444 0.104 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000408375914 160095081 /nfs/dbraw/zinc/09/50/81/160095081.db2.gz LTDCOYPNOKOPPQ-BXKDBHETSA-N 0 0 304.350 0.820 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408381009 160095693 /nfs/dbraw/zinc/09/56/93/160095693.db2.gz GGCBJRCKOKMRDL-NEPJUHHUSA-N 0 0 311.382 0.590 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408381743 160095844 /nfs/dbraw/zinc/09/58/44/160095844.db2.gz NOLAGDHNQWNMOF-QWRGUYRKSA-N 0 0 309.366 0.344 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC(=O)N[C@H]3CCCC[C@@H]32)nc1 ZINC000408380014 160096087 /nfs/dbraw/zinc/09/60/87/160096087.db2.gz SASLXAKYMHSSIX-RYUDHWBXSA-N 0 0 309.391 0.733 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)C[C@H](C)O1 ZINC000408383994 160096604 /nfs/dbraw/zinc/09/66/04/160096604.db2.gz FFKFXTOLSHVQTH-YVECIDJPSA-N 0 0 306.428 0.481 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)N(CC)CC)CCO2)o1 ZINC000408383555 160096855 /nfs/dbraw/zinc/09/68/55/160096855.db2.gz ACVDRHCPNVWEAG-SNVBAGLBSA-N 0 0 318.399 0.592 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408387519 160097477 /nfs/dbraw/zinc/09/74/77/160097477.db2.gz WUJJUMDNFVJPMI-DVVUODLYSA-N 0 0 303.384 0.862 10 0 DCAERN C[C@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CCC1=O ZINC000408386326 160097654 /nfs/dbraw/zinc/09/76/54/160097654.db2.gz OSPJOIDVABIPBD-VIFPVBQESA-N 0 0 314.363 0.581 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C)C1 ZINC000408391239 160098195 /nfs/dbraw/zinc/09/81/95/160098195.db2.gz BOKKEIIGIYTOHA-IJLUTSLNSA-N 0 0 303.428 0.754 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000408391525 160098266 /nfs/dbraw/zinc/09/82/66/160098266.db2.gz CPIFISJQOXGRHU-ILXRZTDVSA-N 0 0 324.421 0.897 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408394880 160099659 /nfs/dbraw/zinc/09/96/59/160099659.db2.gz RKGLQRPNMYRERX-CYDGBPFRSA-N 0 0 322.427 0.124 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c1C ZINC000408395917 160099820 /nfs/dbraw/zinc/09/98/20/160099820.db2.gz OASRHIVSQUOEIN-JOYOIKCWSA-N 0 0 317.411 0.495 10 0 DCAERN CSc1c(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)cnn1C ZINC000408398814 160100143 /nfs/dbraw/zinc/10/01/43/160100143.db2.gz YAWMFZZLVKBVIK-ZRNGKTOUSA-N 0 0 301.437 0.983 10 0 DCAERN Cc1[nH]nc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1C ZINC000408399453 160100576 /nfs/dbraw/zinc/10/05/76/160100576.db2.gz HSDISLWQMGLEIR-LLVKDONJSA-N 0 0 314.411 0.569 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000408401178 160101054 /nfs/dbraw/zinc/10/10/54/160101054.db2.gz ALRUPFZDDCRFAD-JGVFFNPUSA-N 0 0 302.318 0.773 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)N3C[C@@H](O)[C@H](O)C3)ccc21 ZINC000408400836 160101115 /nfs/dbraw/zinc/10/11/15/160101115.db2.gz XRQVCRGFWOCEPP-ZIAGYGMSSA-N 0 0 305.334 0.165 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(C(C)(C)O)C1 ZINC000408407363 160101791 /nfs/dbraw/zinc/10/17/91/160101791.db2.gz USWFJWFITZTZDN-NSHDSACASA-N 0 0 323.397 0.672 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCn3nc(C)nc32)C1 ZINC000408407227 160102239 /nfs/dbraw/zinc/10/22/39/160102239.db2.gz QBXKECHOGMUKFJ-STQMWFEESA-N 0 0 320.397 0.732 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@]2(O)CCCC(C)(C)C2)C1=O ZINC000408415602 160103680 /nfs/dbraw/zinc/10/36/80/160103680.db2.gz KLFTYEUWTIXJPQ-HNNXBMFYSA-N 0 0 311.382 0.328 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CO[C@@H](C)C1 ZINC000408419610 160104330 /nfs/dbraw/zinc/10/43/30/160104330.db2.gz MLRGVFUOYYXHJM-CMPLNLGQSA-N 0 0 324.402 0.909 10 0 DCAERN Cn1c2c(cccc2F)nc1N1CCN(S(C)(=O)=O)CC1 ZINC000408433473 160106631 /nfs/dbraw/zinc/10/66/31/160106631.db2.gz MCKBBAYCDXMKRZ-UHFFFAOYSA-N 0 0 312.370 0.794 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@]3(C)CCCO3)C2=O)n(C)n1 ZINC000408443515 160109639 /nfs/dbraw/zinc/10/96/39/160109639.db2.gz QBZNZBBUCZSOJK-LRDDRELGSA-N 0 0 320.393 0.909 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](CO)C1 ZINC000408447579 160110141 /nfs/dbraw/zinc/11/01/41/160110141.db2.gz YMVOZZBZXOXXGP-VXGBXAGGSA-N 0 0 323.397 0.639 10 0 DCAERN CC1(O)CC(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000408452368 160111199 /nfs/dbraw/zinc/11/11/99/160111199.db2.gz MWBPUQYUULEGCX-UHFFFAOYSA-N 0 0 318.373 0.838 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000408458694 160112609 /nfs/dbraw/zinc/11/26/09/160112609.db2.gz GNMNWZBCXCPLLX-CYBMUJFWSA-N 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QIHNBSBRNGPACY-UTUOFQBUSA-N 0 0 320.411 0.225 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000118994069 286946186 /nfs/dbraw/zinc/94/61/86/286946186.db2.gz OKKBVQWYGMQVKE-NEPJUHHUSA-N 0 0 312.414 0.601 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)nc1)C(=O)N1CCC[C@@H]1CO ZINC000121218444 286954477 /nfs/dbraw/zinc/95/44/77/286954477.db2.gz ZQXJWPOYGKJOOM-GFCCVEGCSA-N 0 0 315.333 0.189 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N(C)CC(C)(CO)CO)c1ccccc1 ZINC000127540653 286978401 /nfs/dbraw/zinc/97/84/01/286978401.db2.gz PKEHKFNFFHGXQA-HNNXBMFYSA-N 0 0 322.405 0.703 10 0 DCAERN CC[C@H](CCO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000128049728 286980642 /nfs/dbraw/zinc/98/06/42/286980642.db2.gz QJAUJPOZCXCTIJ-LLVKDONJSA-N 0 0 319.361 0.215 10 0 DCAERN CS[C@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000131415811 287000499 /nfs/dbraw/zinc/00/04/99/287000499.db2.gz UMSGRGIJXUHFNZ-SECBINFHSA-N 0 0 307.375 0.558 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1C ZINC000133874100 287013732 /nfs/dbraw/zinc/01/37/32/287013732.db2.gz RYRLTRWECFKUQR-GHMZBOCLSA-N 0 0 306.366 0.171 10 0 DCAERN CCc1cnc(CCNC(=O)NCC[C@@H](O)COC)s1 ZINC000133990747 287014121 /nfs/dbraw/zinc/01/41/21/287014121.db2.gz VSUPKRHFNPTSCQ-SNVBAGLBSA-N 0 0 301.412 0.945 10 0 DCAERN COCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697262 287024079 /nfs/dbraw/zinc/02/40/79/287024079.db2.gz SYLHGBFFLXYCFM-YNEHKIRRSA-N 0 0 306.428 0.146 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000136026220 287025003 /nfs/dbraw/zinc/02/50/03/287025003.db2.gz ODAJOXGBNRBXSU-UHFFFAOYSA-N 0 0 320.393 0.842 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000136033457 287025287 /nfs/dbraw/zinc/02/52/87/287025287.db2.gz FOSDADIHRUXDOE-ZIAGYGMSSA-N 0 0 322.405 0.783 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(CCO)CC1 ZINC000137560339 287028514 /nfs/dbraw/zinc/02/85/14/287028514.db2.gz XUOCVYJXNCBMOD-ZDUSSCGKSA-N 0 0 314.430 0.001 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@@H](O)CC)CC2)C1 ZINC000151115104 287032079 /nfs/dbraw/zinc/03/20/79/287032079.db2.gz GIKVYXKXSRTFGZ-KBPBESRZSA-N 0 0 311.426 0.160 10 0 DCAERN CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000152141640 287038979 /nfs/dbraw/zinc/03/89/79/287038979.db2.gz JPXDRZAKNYAKLS-LBPRGKRZSA-N 0 0 304.346 0.938 10 0 DCAERN CCS(=O)(=O)NCCCSCc1nnnn1C(C)C ZINC000152270878 287040303 /nfs/dbraw/zinc/04/03/03/287040303.db2.gz UMLQUPAWQLZRIY-UHFFFAOYSA-N 0 0 307.445 0.817 10 0 DCAERN CN(CCc1ccncc1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000195361850 287062749 /nfs/dbraw/zinc/06/27/49/287062749.db2.gz BMTKBPWSCKPIFI-UHFFFAOYSA-N 0 0 304.350 0.413 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCc2cscn2)[C@@H](C)CO1 ZINC000245463646 287069460 /nfs/dbraw/zinc/06/94/60/287069460.db2.gz OWVKOHVSULHCEX-UWVGGRQHSA-N 0 0 305.425 0.629 10 0 DCAERN Cn1c(N)c(C(=O)CN2CCC[C@H]3CCC[C@H]32)c(=O)n(C)c1=O ZINC000245451346 287069677 /nfs/dbraw/zinc/06/96/77/287069677.db2.gz PJUSJBYAUGWTMA-GHMZBOCLSA-N 0 0 320.393 0.113 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1O ZINC000246024497 287075507 /nfs/dbraw/zinc/07/55/07/287075507.db2.gz WJMHLKQPIPHJCX-IJLUTSLNSA-N 0 0 304.412 0.220 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC000275505202 298643886 /nfs/dbraw/zinc/64/38/86/298643886.db2.gz KQUZTJCPVXOSQF-CHWSQXEVSA-N 0 0 322.409 0.375 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246094608 287076621 /nfs/dbraw/zinc/07/66/21/287076621.db2.gz KRUGCAFLNGHIEP-VHSXEESVSA-N 0 0 317.411 0.367 10 0 DCAERN CCOCCN1CCN(C(=O)[C@H](C)CC(=O)OC)C[C@@H]1C ZINC000246102214 287076795 /nfs/dbraw/zinc/07/67/95/287076795.db2.gz NEVAWVIFSTXIQE-OLZOCXBDSA-N 0 0 300.399 0.755 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)CC(C)(C)C)[C@@H](C)CO1 ZINC000246097066 287076937 /nfs/dbraw/zinc/07/69/37/287076937.db2.gz LJVGLGLHSRNTNK-QJPTWQEYSA-N 0 0 308.444 0.727 10 0 DCAERN Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1C ZINC000246141435 287077627 /nfs/dbraw/zinc/07/76/27/287077627.db2.gz KJOKMPDBQIKSIS-JQWIXIFHSA-N 0 0 300.428 0.832 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000246471274 287083844 /nfs/dbraw/zinc/08/38/44/287083844.db2.gz WGHHFCDHYALZDE-KBPBESRZSA-N 0 0 319.471 0.614 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246479077 287083898 /nfs/dbraw/zinc/08/38/98/287083898.db2.gz JQVXZONSNMQVJV-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H](C)CO1 ZINC000246485975 287084232 /nfs/dbraw/zinc/08/42/32/287084232.db2.gz WZJACVMDWJVLFZ-OBPIAQAESA-N 0 0 318.439 0.744 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000246531590 287085066 /nfs/dbraw/zinc/08/50/66/287085066.db2.gz PPVZJTKZPWQMPK-AJNGGQMLSA-N 0 0 318.373 0.948 10 0 DCAERN CCN1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247383110 287093449 /nfs/dbraw/zinc/09/34/49/287093449.db2.gz PFDNMRVUABQSFL-QWHCGFSZSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246993570 287089983 /nfs/dbraw/zinc/08/99/83/287089983.db2.gz GHBORPCVBITATO-FRRDWIJNSA-N 0 0 317.455 0.399 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247021566 287090211 /nfs/dbraw/zinc/09/02/11/287090211.db2.gz JQHIZBHUIBXECY-RQJABVFESA-N 0 0 316.467 0.998 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247082981 287091028 /nfs/dbraw/zinc/09/10/28/287091028.db2.gz LNPXPNIKWNVLDP-QWHCGFSZSA-N 0 0 306.428 0.148 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247209087 287092145 /nfs/dbraw/zinc/09/21/45/287092145.db2.gz ULOFMAMYBARZJD-VXGBXAGGSA-N 0 0 303.428 0.011 10 0 DCAERN CC(C)N1CCC[C@H](N2CC[C@@H](NS(C)(=O)=O)C2)C1=O ZINC000248358144 287096322 /nfs/dbraw/zinc/09/63/22/287096322.db2.gz QKEWIXCHTCEFFI-NEPJUHHUSA-N 0 0 303.428 0.009 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000248906669 287103300 /nfs/dbraw/zinc/10/33/00/287103300.db2.gz IEEGCZRIFQXHIM-YIYPIFLZSA-N 0 0 320.455 0.583 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](C)[C@H]3CO)cc12 ZINC000248958826 287104210 /nfs/dbraw/zinc/10/42/10/287104210.db2.gz QOYJHMGBHHKQQN-TVQRCGJNSA-N 0 0 324.406 0.668 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[S@](=O)CC2(C)C)C1 ZINC000249189529 287107348 /nfs/dbraw/zinc/10/73/48/287107348.db2.gz OYSMNDFAOIHKDY-VOJFVSQTSA-N 0 0 308.469 0.806 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H](CO)O1 ZINC000249439284 287110951 /nfs/dbraw/zinc/11/09/51/287110951.db2.gz SQTWYTJVLFPNDX-APIJFGDWSA-N 0 0 312.410 0.238 10 0 DCAERN CCN(C(=O)N[C@@H]1CCCN(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000249808794 287118467 /nfs/dbraw/zinc/11/84/67/287118467.db2.gz XQQKXHPOBRZUCQ-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1F)N1CCN(CCO)[C@@H](C)C1 ZINC000249599910 287115722 /nfs/dbraw/zinc/11/57/22/287115722.db2.gz XWJCGOHXNBQCBO-UONOGXRCSA-N 0 0 323.412 0.829 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000366514113 287164141 /nfs/dbraw/zinc/16/41/41/287164141.db2.gz IRALYRHJJBHUHW-DMDPSCGWSA-N 0 0 305.396 0.216 10 0 DCAERN C[C@@H]1C(=O)NCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000104689737 287185606 /nfs/dbraw/zinc/18/56/06/287185606.db2.gz JKZIENPETSEXBA-ZJUUUORDSA-N 0 0 307.316 0.608 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000355996202 287191400 /nfs/dbraw/zinc/19/14/00/287191400.db2.gz XHXDWHQMNCIFCX-SUHUHFCYSA-N 0 0 304.346 0.782 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC000357269884 287205107 /nfs/dbraw/zinc/20/51/07/287205107.db2.gz OPRVAROALQZZML-IUCAKERBSA-N 0 0 316.308 0.578 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC000363880021 287219830 /nfs/dbraw/zinc/21/98/30/287219830.db2.gz RNKALAMIUYBTTC-SWLSCSKDSA-N 0 0 310.398 0.165 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151382910 298830581 /nfs/dbraw/zinc/83/05/81/298830581.db2.gz UZJVFJBIQGBJOF-YRGRVCCFSA-N 0 0 303.424 0.821 10 0 DCAERN COC(=O)c1ccc(NC(=O)NC2(CCO)CCOCC2)nn1 ZINC000619630167 412379673 /nfs/dbraw/zinc/37/96/73/412379673.db2.gz QMTUMSBIFORFFM-UHFFFAOYSA-N 0 0 324.337 0.316 10 0 DCAERN C[C@H]1SCCN(C(=O)Cn2cnc3c2ncnc3N)[C@H]1C ZINC000265431057 415129569 /nfs/dbraw/zinc/12/95/69/415129569.db2.gz GDBMOHUGZRWZOK-DTWKUNHWSA-N 0 0 306.395 0.761 10 0 DCAERN C[C@@H]1SCCN(C(=O)Cn2cnc3c2ncnc3N)[C@H]1C ZINC000265431061 415129784 /nfs/dbraw/zinc/12/97/84/415129784.db2.gz GDBMOHUGZRWZOK-IUCAKERBSA-N 0 0 306.395 0.761 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000331668977 415177638 /nfs/dbraw/zinc/17/76/38/415177638.db2.gz VZQVQVULDBIDKM-RYUDHWBXSA-N 0 0 302.396 0.220 10 0 DCAERN C[C@@H](NC(=O)[C@@H](N)CC(N)=O)c1cccc(Br)c1 ZINC000037626929 415193919 /nfs/dbraw/zinc/19/39/19/415193919.db2.gz SRFNCZCGDYFUIM-XCBNKYQSSA-N 0 0 314.183 0.829 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000268714562 415246263 /nfs/dbraw/zinc/24/62/63/415246263.db2.gz ITDUSQHTQDUXFG-STQMWFEESA-N 0 0 310.350 0.409 10 0 DCAERN CC(C)C(=O)NCCNC(=O)NCc1cccnc1N(C)C ZINC000048004566 415284595 /nfs/dbraw/zinc/28/45/95/415284595.db2.gz OFNNTUMCZFFUNB-UHFFFAOYSA-N 0 0 307.398 0.719 10 0 DCAERN COCCn1nc(C(=O)NCCc2ccsc2)ccc1=O ZINC000046366270 415257750 /nfs/dbraw/zinc/25/77/50/415257750.db2.gz YBSGRHIJPQBYMW-UHFFFAOYSA-N 0 0 307.375 0.924 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H](C)O1 ZINC000044907198 415230129 /nfs/dbraw/zinc/23/01/29/415230129.db2.gz AROIZZBVDUJPNU-UTUOFQBUSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)CCCn1ccnc1C ZINC000332347571 415354502 /nfs/dbraw/zinc/35/45/02/415354502.db2.gz URGIMHMZSQIDJE-ZDUSSCGKSA-N 0 0 310.423 0.961 10 0 DCAERN Cc1ccc(CCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 ZINC000052946167 415320077 /nfs/dbraw/zinc/32/00/77/415320077.db2.gz IJUIBEYFRUXXRR-UHFFFAOYSA-N 0 0 311.407 0.275 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)C1CC1 ZINC000054845628 415327882 /nfs/dbraw/zinc/32/78/82/415327882.db2.gz BFZIXXINONJSLT-NSHDSACASA-N 0 0 318.377 0.771 10 0 DCAERN CC[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccncc1 ZINC000073944768 415424649 /nfs/dbraw/zinc/42/46/49/415424649.db2.gz VFJVRGDMYXJVHB-NSHDSACASA-N 0 0 304.350 0.979 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@](C)(O)CO ZINC000332675728 415435603 /nfs/dbraw/zinc/43/56/03/415435603.db2.gz KBYTVJFBPHGREX-RDJZCZTQSA-N 0 0 320.389 0.382 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(F)cc3n[nH]nc32)CC1=O ZINC000332687392 415442782 /nfs/dbraw/zinc/44/27/82/415442782.db2.gz OSHQIDDWPRPVMD-VFWDIBGWSA-N 0 0 317.324 0.836 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C1CCOCC1 ZINC000332754755 415465038 /nfs/dbraw/zinc/46/50/38/415465038.db2.gz JVXZZPFXINXKMK-NWANDNLSSA-N 0 0 311.426 0.916 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)C3CCCCC3)C[C@@H]21 ZINC000332757920 415465909 /nfs/dbraw/zinc/46/59/09/415465909.db2.gz RERDOIPEZYWKKR-GJZGRUSLSA-N 0 0 323.437 0.614 10 0 DCAERN CN(CCn1cccn1)C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000278905043 415509911 /nfs/dbraw/zinc/50/99/11/415509911.db2.gz GDJBUSFYQQMQCS-ZDUSSCGKSA-N 0 0 302.382 0.984 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000089485262 415522164 /nfs/dbraw/zinc/52/21/64/415522164.db2.gz ZHEREPINTSJCFL-UKRRQHHQSA-N 0 0 321.352 0.709 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCO1 ZINC000333027386 415535426 /nfs/dbraw/zinc/53/54/26/415535426.db2.gz LDOYMNBXFXMQIR-WVWOOGAGSA-N 0 0 311.382 0.106 10 0 DCAERN CCOC(=O)CN(CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701123 415544359 /nfs/dbraw/zinc/54/43/59/415544359.db2.gz QUKZMIIKPLVVKM-LBPRGKRZSA-N 0 0 306.428 0.543 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C)C3)C2)CCO1 ZINC000333102414 415556437 /nfs/dbraw/zinc/55/64/37/415556437.db2.gz FBAYLYZZQBQHEJ-ZQDZILKHSA-N 0 0 324.421 0.897 10 0 DCAERN CN1CCO[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333117953 415558825 /nfs/dbraw/zinc/55/88/25/415558825.db2.gz ZFNGALPGINDXRN-HZSPNIEDSA-N 0 0 309.410 0.224 10 0 DCAERN CCNC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccnn2C)nn1 ZINC000343486705 415614653 /nfs/dbraw/zinc/61/46/53/415614653.db2.gz ZJIAXZGDWQDONY-HZMBPMFUSA-N 0 0 316.365 0.902 10 0 DCAERN COC[C@@H](C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000103431828 415618460 /nfs/dbraw/zinc/61/84/60/415618460.db2.gz DSGUHCFUUSXNEF-BXKDBHETSA-N 0 0 323.315 0.959 10 0 DCAERN CC(C)C(=O)N1CCN(C(=O)c2cnc(C3CC3)nc2N)CC1 ZINC000287275132 415651771 /nfs/dbraw/zinc/65/17/71/415651771.db2.gz LMCPWASZBKVSIF-UHFFFAOYSA-N 0 0 317.393 0.877 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000282132235 415577167 /nfs/dbraw/zinc/57/71/67/415577167.db2.gz HCFLMGMCQVNQMO-CYZMBNFOSA-N 0 0 305.382 0.934 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000333211506 415585590 /nfs/dbraw/zinc/58/55/90/415585590.db2.gz CXQNOZGXPAOBPG-QLFBSQMISA-N 0 0 324.421 0.966 10 0 DCAERN COc1cnc(NC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)nc1 ZINC000333217981 415586362 /nfs/dbraw/zinc/58/63/62/415586362.db2.gz VISCDIDARKMDJQ-RYUDHWBXSA-N 0 0 308.338 0.897 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCS(C)(=O)=O ZINC000106916961 415655569 /nfs/dbraw/zinc/65/55/69/415655569.db2.gz GOTXUULSKKLJGE-AWEZNQCLSA-N 0 0 312.435 0.662 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000333576722 415687090 /nfs/dbraw/zinc/68/70/90/415687090.db2.gz NFJLAUNMTNTGAT-RFQIPJPRSA-N 0 0 323.393 0.589 10 0 DCAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1CCCC12CCC2 ZINC000333598371 415693621 /nfs/dbraw/zinc/69/36/21/415693621.db2.gz YDAPXEHONCZQCT-UHFFFAOYSA-N 0 0 307.437 0.912 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1COC[C@@H]1OC ZINC000333714743 415722210 /nfs/dbraw/zinc/72/22/10/415722210.db2.gz HAYCZWOLGYSRNG-KKOKHZNYSA-N 0 0 316.423 0.464 10 0 DCAERN CCN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H](C)c1cccnc1 ZINC000115230921 415724154 /nfs/dbraw/zinc/72/41/54/415724154.db2.gz FXNPJTGLOQAERF-LBPRGKRZSA-N 0 0 316.361 0.552 10 0 DCAERN Cc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000112120113 415706444 /nfs/dbraw/zinc/70/64/44/415706444.db2.gz SYYNTCZGEOWJJL-UHFFFAOYSA-N 0 0 307.394 0.564 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@@H](OC)C[C@H]2CO)c(F)c1 ZINC000343746766 415707972 /nfs/dbraw/zinc/70/79/72/415707972.db2.gz UJBJCWZIQYOSRQ-UWVGGRQHSA-N 0 0 318.370 0.320 10 0 DCAERN COc1ccc(OC)c(CC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112660988 415712326 /nfs/dbraw/zinc/71/23/26/415712326.db2.gz YVJFGYLVUFJKOB-LBPRGKRZSA-N 0 0 316.361 0.969 10 0 DCAERN CN(CC(=O)N[C@H]1CCc2ncnn2C1)C(=O)OC(C)(C)C ZINC000112661865 415714541 /nfs/dbraw/zinc/71/45/41/415714541.db2.gz IYJHBXCWUDBUFW-JTQLQIEISA-N 0 0 309.370 0.576 10 0 DCAERN CCCN1C[C@H](CNC(=O)N2CCN(C3CC3)CC2)CC1=O ZINC000333764688 415736326 /nfs/dbraw/zinc/73/63/26/415736326.db2.gz PYAMPCZZRBKRGR-ZDUSSCGKSA-N 0 0 308.426 0.735 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000333936755 415767799 /nfs/dbraw/zinc/76/77/99/415767799.db2.gz KUWJDIZQOWTUSM-LSDHHAIUSA-N 0 0 303.410 0.832 10 0 DCAERN CCOc1ccnc(N2CCN(CC[C@@H]3CCOC3=O)CC2)n1 ZINC000120482926 415770563 /nfs/dbraw/zinc/77/05/63/415770563.db2.gz AUANGNGKUYQGGG-CYBMUJFWSA-N 0 0 320.393 0.951 10 0 DCAERN CCn1cc(CN2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000120472675 415771437 /nfs/dbraw/zinc/77/14/37/415771437.db2.gz XXEQFMCRIBVPGU-UHFFFAOYSA-N 0 0 312.381 0.663 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000122331503 415832074 /nfs/dbraw/zinc/83/20/74/415832074.db2.gz HWRWDHSJXVTJBB-NSHDSACASA-N 0 0 324.402 0.833 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000122343215 415834033 /nfs/dbraw/zinc/83/40/33/415834033.db2.gz XEWAQYQPKUVYSO-LBPRGKRZSA-N 0 0 324.402 0.887 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCOC(C)C)CCN1C[C@@H](C)O ZINC000122709244 415835974 /nfs/dbraw/zinc/83/59/74/415835974.db2.gz JKRGMGTUUMKEQG-ZIAGYGMSSA-N 0 0 322.471 0.518 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N1CCC[C@@H]1CO ZINC000121190827 415797652 /nfs/dbraw/zinc/79/76/52/415797652.db2.gz XRQBIEJQCWWECF-CYBMUJFWSA-N 0 0 315.333 0.189 10 0 DCAERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)CCO)C(C)C ZINC000121169600 415798187 /nfs/dbraw/zinc/79/81/87/415798187.db2.gz AOWAOGJPTZZKFU-CQSZACIVSA-N 0 0 308.378 0.900 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000121453703 415804888 /nfs/dbraw/zinc/80/48/88/415804888.db2.gz NKMQXAYVBWHJSE-CYBMUJFWSA-N 0 0 307.398 0.844 10 0 DCAERN CNc1snc(C)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121951722 415823527 /nfs/dbraw/zinc/82/35/27/415823527.db2.gz AYQPMLFJRAUCIM-SSDOTTSWSA-N 0 0 303.409 0.752 10 0 DCAERN COCCc1cc(NC(=O)NCCC(=O)NC(C)C)n(C)n1 ZINC000127700590 415887089 /nfs/dbraw/zinc/88/70/89/415887089.db2.gz XDSJXUJOQSPQBN-UHFFFAOYSA-N 0 0 311.386 0.645 10 0 DCAERN O=C([C@@H]1CCC[C@H]1C(=O)N(CCO)C1CC1)N(CCO)C1CC1 ZINC000128336600 415897185 /nfs/dbraw/zinc/89/71/85/415897185.db2.gz MYTNDJHREGNMRI-HUUCEWRRSA-N 0 0 324.421 0.369 10 0 DCAERN CCC(CC)(CNC(=O)c1cc(C(N)=O)cn1C)C(=O)OC ZINC000128399660 415898456 /nfs/dbraw/zinc/89/84/56/415898456.db2.gz AQGXJOBAYXHLKZ-UHFFFAOYSA-N 0 0 309.366 0.833 10 0 DCAERN CCCn1nccc1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000130757180 415924155 /nfs/dbraw/zinc/92/41/55/415924155.db2.gz CLIGGCSEEFJJPF-NSHDSACASA-N 0 0 309.370 0.398 10 0 DCAERN CCN(CCc1nccs1)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000131243007 415928036 /nfs/dbraw/zinc/92/80/36/415928036.db2.gz UECGDCRGGKXOMB-UHFFFAOYSA-N 0 0 324.406 0.865 10 0 DCAERN COc1ncnc2c1CN(C(=O)c1c[nH]c(=O)cc1C)CC2 ZINC000133894931 415952725 /nfs/dbraw/zinc/95/27/25/415952725.db2.gz IBIYDLOXBKYAEM-UHFFFAOYSA-N 0 0 300.318 0.680 10 0 DCAERN NC(=O)CCn1ccc(NC(=O)[C@H]2CCCc3n[nH]cc32)n1 ZINC000134372766 415955103 /nfs/dbraw/zinc/95/51/03/415955103.db2.gz BVIRGQKKYIGWQF-VIFPVBQESA-N 0 0 302.338 0.540 10 0 DCAERN O=C1NC[C@H]2CN(Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937769 415963029 /nfs/dbraw/zinc/96/30/29/415963029.db2.gz HNHJYIJPWLNUJX-AWEZNQCLSA-N 0 0 310.357 0.377 10 0 DCAERN CN1C[C@H](NC(=O)Cn2cnc(-c3ccccc3)n2)CCC1=O ZINC000152886580 415971316 /nfs/dbraw/zinc/97/13/16/415971316.db2.gz JDYCDVBTDPACGY-CYBMUJFWSA-N 0 0 313.361 0.682 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000152917303 415972752 /nfs/dbraw/zinc/97/27/52/415972752.db2.gz OQAJEDLHANVPQM-MNOVXSKESA-N 0 0 306.366 0.231 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000152935039 415973945 /nfs/dbraw/zinc/97/39/45/415973945.db2.gz YMCJWFJTTPCLQK-HZMBPMFUSA-N 0 0 314.332 0.523 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000153353938 415978991 /nfs/dbraw/zinc/97/89/91/415978991.db2.gz AREGVAWBELEBBE-CYBMUJFWSA-N 0 0 309.341 0.519 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000153255820 415979747 /nfs/dbraw/zinc/97/97/47/415979747.db2.gz AZMILABBBQJNFK-LBPRGKRZSA-N 0 0 323.397 0.069 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000153681736 415986501 /nfs/dbraw/zinc/98/65/01/415986501.db2.gz CCGKUMOYXDDWCO-QWRGUYRKSA-N 0 0 306.366 0.859 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2CCOc3ccccc32)c(=O)n(C)c1=O ZINC000153856170 415988262 /nfs/dbraw/zinc/98/82/62/415988262.db2.gz YXKJLSTWPKRUSR-LLVKDONJSA-N 0 0 315.329 0.589 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)CNC(=O)c2cccnc2)n1 ZINC000153991891 415989929 /nfs/dbraw/zinc/98/99/29/415989929.db2.gz KFZKEOLQXKCXBJ-UHFFFAOYSA-N 0 0 315.377 0.831 10 0 DCAERN COCCOc1cccc(CN2CCO[C@H](C)[C@@H]2C(N)=O)c1 ZINC000344826067 415993994 /nfs/dbraw/zinc/99/39/94/415993994.db2.gz KLZZFTZEZVSLJI-IUODEOHRSA-N 0 0 308.378 0.786 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2NC[C@@H](O)C1CCCC1 ZINC000301302354 416079438 /nfs/dbraw/zinc/07/94/38/416079438.db2.gz VXLBCLMCQLWSCO-GFCCVEGCSA-N 0 0 319.365 0.962 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000172218143 416044411 /nfs/dbraw/zinc/04/44/11/416044411.db2.gz OLFHNJPMIMZVQL-NSHDSACASA-N 0 0 324.381 0.491 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCN(C)C1=O)c1ccccc1 ZINC000172544316 416048118 /nfs/dbraw/zinc/04/81/18/416048118.db2.gz QQCUIJRUCPIKGP-KGLIPLIRSA-N 0 0 303.362 0.601 10 0 DCAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)nc1 ZINC000173173244 416053454 /nfs/dbraw/zinc/05/34/54/416053454.db2.gz SFJOJWUDKPJRIQ-OAHLLOKOSA-N 0 0 318.421 0.806 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000173456046 416058196 /nfs/dbraw/zinc/05/81/96/416058196.db2.gz RVHJYNISNQMFOH-MFKMUULPSA-N 0 0 306.410 0.953 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3cncc(O)c3)C2)cn1 ZINC000173468486 416058894 /nfs/dbraw/zinc/05/88/94/416058894.db2.gz REICJONWIZXOKH-GFCCVEGCSA-N 0 0 301.350 0.920 10 0 DCAERN COCCCS(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173473135 416059337 /nfs/dbraw/zinc/05/93/37/416059337.db2.gz LCFWWIJJSCCANP-JTQLQIEISA-N 0 0 303.428 0.924 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cccn(C)c1=O)CC2 ZINC000173543326 416061027 /nfs/dbraw/zinc/06/10/27/416061027.db2.gz PJQFICBJIIMZBE-JTQLQIEISA-N 0 0 316.365 0.676 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]23CCOC3)c1 ZINC000357329630 416062861 /nfs/dbraw/zinc/06/28/61/416062861.db2.gz FFJFOLBILFMNEU-HNNXBMFYSA-N 0 0 324.402 0.990 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cc(N(C)C)ccn3)CCO2)[nH]1 ZINC000173755819 416064570 /nfs/dbraw/zinc/06/45/70/416064570.db2.gz GTVOYSITKDGDOD-CYBMUJFWSA-N 0 0 316.365 0.788 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173773511 416065851 /nfs/dbraw/zinc/06/58/51/416065851.db2.gz DHWCDYKEZUVFRZ-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN C[C@@H](CNC(=O)NCCCC(C)(C)CO)N1CCOCC1 ZINC000173826048 416066039 /nfs/dbraw/zinc/06/60/39/416066039.db2.gz VIOFOMVLPZWJRL-ZDUSSCGKSA-N 0 0 301.431 0.805 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173884360 416067482 /nfs/dbraw/zinc/06/74/82/416067482.db2.gz FRKDMUUERPXCBI-CHWSQXEVSA-N 0 0 311.426 0.328 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1N1CCOCC1 ZINC000173875965 416067545 /nfs/dbraw/zinc/06/75/45/416067545.db2.gz XJZWTKNPTVQDEV-UONOGXRCSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000173971100 416070060 /nfs/dbraw/zinc/07/00/60/416070060.db2.gz NNDGEMGOYKPQBU-SWLSCSKDSA-N 0 0 317.389 0.578 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000173963560 416070579 /nfs/dbraw/zinc/07/05/79/416070579.db2.gz WYCOFBRGRZNQFH-UHFFFAOYSA-N 0 0 317.389 0.378 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@H](O)C(F)(F)F ZINC000300422534 416072518 /nfs/dbraw/zinc/07/25/18/416072518.db2.gz HRLFYWKUBWNXNN-PRJMDXOYSA-N 0 0 319.301 0.171 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCC[C@H](C)O ZINC000300426716 416072747 /nfs/dbraw/zinc/07/27/47/416072747.db2.gz JMQCAUUHFIAUEM-RYUDHWBXSA-N 0 0 306.428 0.468 10 0 DCAERN O=C(COC[C@H]1CCOC1)NC[C@]1(O)CCc2ccccc21 ZINC000159014604 416005847 /nfs/dbraw/zinc/00/58/47/416005847.db2.gz FHROJYUXYYMZMC-SUMWQHHRSA-N 0 0 305.374 0.990 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nnc2ccccn21 ZINC000159113693 416006814 /nfs/dbraw/zinc/00/68/14/416006814.db2.gz GXNIMSGTNYWDHT-JTQLQIEISA-N 0 0 305.363 0.267 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000356939974 416009397 /nfs/dbraw/zinc/00/93/97/416009397.db2.gz SQMGMJFAGPGVRY-DZGCQCFKSA-N 0 0 319.361 0.506 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000166721084 416023405 /nfs/dbraw/zinc/02/34/05/416023405.db2.gz WJARHTSQTQEIQJ-AWEZNQCLSA-N 0 0 315.373 0.851 10 0 DCAERN COc1cccc(N2CC[C@@H](CNC(=O)NCCC(N)=O)C2)c1 ZINC000170678964 416029058 /nfs/dbraw/zinc/02/90/58/416029058.db2.gz OBLCXKWERYBKTM-LBPRGKRZSA-N 0 0 320.393 0.696 10 0 DCAERN c1nnc(CCNc2ccc3nnc(-c4ccccc4)n3n2)[nH]1 ZINC000357138775 416037415 /nfs/dbraw/zinc/03/74/15/416037415.db2.gz CLWDGEBKHCZMQI-UHFFFAOYSA-N 0 0 306.333 1.564 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000174655480 416084249 /nfs/dbraw/zinc/08/42/49/416084249.db2.gz FIJCGMVREYNWSP-JTQLQIEISA-N 0 0 309.414 0.793 10 0 DCAERN C[C@@H](N1CCN(c2cncc(C(N)=O)n2)CC1)C(F)(F)F ZINC000301594072 416086854 /nfs/dbraw/zinc/08/68/54/416086854.db2.gz YJSOWVNYLLUTJC-MRVPVSSYSA-N 0 0 303.288 0.648 10 0 DCAERN CN(C)C(=O)C1CCN(c2ncnc(-n3cccn3)c2N)CC1 ZINC000301684610 416089046 /nfs/dbraw/zinc/08/90/46/416089046.db2.gz KWWAQWVIVOOKFE-UHFFFAOYSA-N 0 0 315.381 0.549 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000174905177 416090738 /nfs/dbraw/zinc/09/07/38/416090738.db2.gz RRLBKJCPWZRODZ-CQSZACIVSA-N 0 0 314.407 0.902 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H](C(=O)NC)C(C)C)sc2n1 ZINC000301798484 416091753 /nfs/dbraw/zinc/09/17/53/416091753.db2.gz UVDMJXZDZGJUDL-SNVBAGLBSA-N 0 0 309.395 0.896 10 0 DCAERN CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O ZINC000175056032 416095075 /nfs/dbraw/zinc/09/50/75/416095075.db2.gz ZNLFWIVKIZPYTN-LSDHHAIUSA-N 0 0 323.437 0.567 10 0 DCAERN Cc1nc(CN2CCCN([C@@H]3CCN(C(C)C)C3=O)CC2)no1 ZINC000175194132 416099694 /nfs/dbraw/zinc/09/96/94/416099694.db2.gz XPYSREPJHORIDG-CQSZACIVSA-N 0 0 321.425 0.895 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)ccc2O)C1 ZINC000175240708 416101416 /nfs/dbraw/zinc/10/14/16/416101416.db2.gz CFLJZOSSPZGTMG-VIFPVBQESA-N 0 0 302.327 0.295 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@@H](CC)C(=O)N1CCOCC1 ZINC000175315393 416101863 /nfs/dbraw/zinc/10/18/63/416101863.db2.gz NPLKFZYAPOWROH-NSHDSACASA-N 0 0 309.366 0.913 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000175358440 416103633 /nfs/dbraw/zinc/10/36/33/416103633.db2.gz OEMFFZWFILKLLX-TUAOUCFPSA-N 0 0 318.395 0.911 10 0 DCAERN O=C(NC1COCCOC1)c1ncccc1Br ZINC000310585268 416106024 /nfs/dbraw/zinc/10/60/24/416106024.db2.gz UWZCUSBNQIPHRZ-UHFFFAOYSA-N 0 0 301.140 0.989 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCN1CCOCC1 ZINC000175513554 416108892 /nfs/dbraw/zinc/10/88/92/416108892.db2.gz OXYVNFJNZPCMSE-HNNXBMFYSA-N 0 0 321.425 0.698 10 0 DCAERN O=S(=O)(CCCF)N1CCCC[C@@H]1CN1CCOCC1 ZINC000175596471 416110212 /nfs/dbraw/zinc/11/02/12/416110212.db2.gz NRXNWXHXRPNAFB-CYBMUJFWSA-N 0 0 308.419 0.863 10 0 DCAERN O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@](O)(CO)C1 ZINC000313710348 416110993 /nfs/dbraw/zinc/11/09/93/416110993.db2.gz FDXJUIMMBQLYSH-JTQLQIEISA-N 0 0 311.812 0.909 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000175726661 416112217 /nfs/dbraw/zinc/11/22/17/416112217.db2.gz JHPJDUMVWZPROJ-OCCSQVGLSA-N 0 0 309.414 0.705 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nnc[nH]1 ZINC000175876934 416115716 /nfs/dbraw/zinc/11/57/16/416115716.db2.gz JPJRSGQIKNQYQB-ZDUSSCGKSA-N 0 0 315.377 0.553 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nnc[nH]1 ZINC000175876918 416116119 /nfs/dbraw/zinc/11/61/19/416116119.db2.gz JPJRSGQIKNQYQB-CYBMUJFWSA-N 0 0 315.377 0.553 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000175882337 416116297 /nfs/dbraw/zinc/11/62/97/416116297.db2.gz HLLWOQFOSTYWSH-CYBMUJFWSA-N 0 0 322.413 0.395 10 0 DCAERN Cc1noc(CN2CCN(c3cc4nncn4c(C)n3)CC2)n1 ZINC000357687583 416116721 /nfs/dbraw/zinc/11/67/21/416116721.db2.gz HCMCSVOXEDIGRA-UHFFFAOYSA-N 0 0 314.353 0.446 10 0 DCAERN CCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604437 416122962 /nfs/dbraw/zinc/12/29/62/416122962.db2.gz JTWKHSRHZUGMNK-QWHCGFSZSA-N 0 0 320.401 0.440 10 0 DCAERN Cc1conc1NC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 ZINC000328655044 416125219 /nfs/dbraw/zinc/12/52/19/416125219.db2.gz XZZDRHXLCDEVGL-ZDUSSCGKSA-N 0 0 308.382 1.558 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)c3c[nH]cn3)CC2)CC1 ZINC000329221654 416156609 /nfs/dbraw/zinc/15/66/09/416156609.db2.gz VCQDCYAUMUIIQV-UHFFFAOYSA-N 0 0 319.409 0.426 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCS2)c1 ZINC000176805295 416134456 /nfs/dbraw/zinc/13/44/56/416134456.db2.gz VPLFGPYALYZXAE-SNVBAGLBSA-N 0 0 300.405 0.959 10 0 DCAERN CC(C)(CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000177014960 416137948 /nfs/dbraw/zinc/13/79/48/416137948.db2.gz CVBAFKWZNICKFN-UHFFFAOYSA-N 0 0 305.422 0.691 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)O1 ZINC000357852565 416141721 /nfs/dbraw/zinc/14/17/21/416141721.db2.gz XBCFIKCAIZYSDY-RYUDHWBXSA-N 0 0 317.349 0.395 10 0 DCAERN O=C(CCOC1CCOCC1)NCc1nnc2n1CCCC2 ZINC000177603189 416147868 /nfs/dbraw/zinc/14/78/68/416147868.db2.gz QQZDFVRMNQTRMI-UHFFFAOYSA-N 0 0 308.382 0.816 10 0 DCAERN COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000177523852 416148314 /nfs/dbraw/zinc/14/83/14/416148314.db2.gz XJGWLFQODOTJEC-HZMBPMFUSA-N 0 0 307.354 0.188 10 0 DCAERN O=C(c1cnns1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000329091686 416149447 /nfs/dbraw/zinc/14/94/47/416149447.db2.gz JQOBNYMBGAYIDL-SECBINFHSA-N 0 0 315.362 0.907 10 0 DCAERN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 ZINC000178172593 416157314 /nfs/dbraw/zinc/15/73/14/416157314.db2.gz XGSDOAMKOICSTO-SNVBAGLBSA-N 0 0 315.333 0.483 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357904166 416149946 /nfs/dbraw/zinc/14/99/46/416149946.db2.gz ZXWMTWLWGIMLMK-SECBINFHSA-N 0 0 310.379 0.795 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1 ZINC000177708621 416151099 /nfs/dbraw/zinc/15/10/99/416151099.db2.gz MIQSQBLTDQKUSR-WORDMNGFSA-N 0 0 309.410 0.800 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@@H](C(N)=O)O1 ZINC000177713695 416151612 /nfs/dbraw/zinc/15/16/12/416151612.db2.gz KBYHFYJSDGOJRE-RNCFNFMXSA-N 0 0 300.318 0.345 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177807832 416152293 /nfs/dbraw/zinc/15/22/93/416152293.db2.gz QZVGYTUXBXHPEC-UWVGGRQHSA-N 0 0 318.333 0.808 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000178689142 416168888 /nfs/dbraw/zinc/16/88/88/416168888.db2.gz COBKMXTXFLSNBU-KGLIPLIRSA-N 0 0 312.410 0.633 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178704271 416169467 /nfs/dbraw/zinc/16/94/67/416169467.db2.gz FSDITXXDSZCKJF-OLZOCXBDSA-N 0 0 300.380 0.057 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccnc(-n2cncn2)c1)C(C)C ZINC000178675231 416169635 /nfs/dbraw/zinc/16/96/35/416169635.db2.gz QCOCCAPRQYGBME-GFCCVEGCSA-N 0 0 302.338 0.163 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1cccc(Cl)c1 ZINC000178963691 416178896 /nfs/dbraw/zinc/17/88/96/416178896.db2.gz BXAWPURDZBAZGJ-ZDUSSCGKSA-N 0 0 322.796 0.395 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c(C)c1 ZINC000178956941 416179805 /nfs/dbraw/zinc/17/98/05/416179805.db2.gz ZAGKSUHWZUAFNR-CQSZACIVSA-N 0 0 316.405 0.358 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329777578 416190207 /nfs/dbraw/zinc/19/02/07/416190207.db2.gz PEZURDKSPURKAC-FVQBIDKESA-N 0 0 323.437 0.709 10 0 DCAERN COCc1noc(CNc2cc(-n3cnnn3)ccc2F)n1 ZINC000179828741 416192556 /nfs/dbraw/zinc/19/25/56/416192556.db2.gz ZIZWUXWVWQTNLX-UHFFFAOYSA-N 0 0 305.273 0.943 10 0 DCAERN COc1ccccc1C/C(C)=C/C(=O)N1CCOC[C@@H]1C(N)=O ZINC000180196273 416194341 /nfs/dbraw/zinc/19/43/41/416194341.db2.gz XDVOEZJMJIZBDT-IEZBTEQYSA-N 0 0 318.373 0.897 10 0 DCAERN CNc1nnc(SC[C@@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000330721961 416233916 /nfs/dbraw/zinc/23/39/16/416233916.db2.gz HJCBISWICKFLPT-SSDOTTSWSA-N 0 0 308.454 0.953 10 0 DCAERN COCCN1CCN(C(=O)c2sccc2COC)CC1=O ZINC000182980825 416233983 /nfs/dbraw/zinc/23/39/83/416233983.db2.gz ZWWGMDCABZRRPS-UHFFFAOYSA-N 0 0 312.391 0.825 10 0 DCAERN CNC(=O)C1(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180871650 416201328 /nfs/dbraw/zinc/20/13/28/416201328.db2.gz PIANWYOVRCHANE-BGMSHATGSA-N 0 0 310.394 0.951 10 0 DCAERN CC(C)Oc1cccnc1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000180923577 416202971 /nfs/dbraw/zinc/20/29/71/416202971.db2.gz MROGKAMAWSDFSJ-UHFFFAOYSA-N 0 0 317.349 0.752 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2cc(N)nc(Cl)c2)cn1 ZINC000181332985 416206121 /nfs/dbraw/zinc/20/61/21/416206121.db2.gz ZWNUZRKEWPQRNQ-LLVKDONJSA-N 0 0 320.784 0.837 10 0 DCAERN Cn1nnc2ccc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cc21 ZINC000182286320 416217409 /nfs/dbraw/zinc/21/74/09/416217409.db2.gz AQXRUXVPGHVPFJ-ZDUSSCGKSA-N 0 0 308.363 0.275 10 0 DCAERN O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@H]1CCc2ncnn2C1 ZINC000182425227 416222520 /nfs/dbraw/zinc/22/25/20/416222520.db2.gz DHQLOJUIMFCLDT-LBPRGKRZSA-N 0 0 311.345 0.446 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000182453663 416223291 /nfs/dbraw/zinc/22/32/91/416223291.db2.gz YWOVWAXIWIHCQA-CQSZACIVSA-N 0 0 301.350 0.214 10 0 DCAERN O=C(NCCCN1CCCC1=O)Nc1nc2ccccn2n1 ZINC000183040469 416234752 /nfs/dbraw/zinc/23/47/52/416234752.db2.gz WKTJAATVLCUYBH-UHFFFAOYSA-N 0 0 302.338 0.863 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2c(C)nc3sc(C)cn23)CCO1 ZINC000182485324 416223967 /nfs/dbraw/zinc/22/39/67/416223967.db2.gz PXQVPBRDRQWUPA-LBPRGKRZSA-N 0 0 308.407 0.959 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182535097 416225727 /nfs/dbraw/zinc/22/57/27/416225727.db2.gz SILYCESWAALVRT-DGCLKSJQSA-N 0 0 306.366 0.647 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182535313 416226437 /nfs/dbraw/zinc/22/64/37/416226437.db2.gz ANPAQGRMRGSMIZ-OCCSQVGLSA-N 0 0 320.393 0.989 10 0 DCAERN Cn1c2ccccc2n(CC(=O)NC[C@H](CO)C2CC2)c1=O ZINC000358348287 416227085 /nfs/dbraw/zinc/22/70/85/416227085.db2.gz JBCAQCCVRCCMHL-GFCCVEGCSA-N 0 0 303.362 0.475 10 0 DCAERN COC[C@H](CNC(=O)CCc1nc2ccccc2oc1=O)OC ZINC000358370768 416231575 /nfs/dbraw/zinc/23/15/75/416231575.db2.gz DNVQTYSOWARTLT-NSHDSACASA-N 0 0 320.345 0.898 10 0 DCAERN CNC(=O)NC(=O)CN1CCC(Oc2ccc(C)cn2)CC1 ZINC000182842289 416232765 /nfs/dbraw/zinc/23/27/65/416232765.db2.gz DWGBLCJJBUZDHK-UHFFFAOYSA-N 0 0 306.366 0.689 10 0 DCAERN CC(C)S(=O)(=O)CCN1CCCC[C@H]1CN1CCOCC1 ZINC000178234636 416159203 /nfs/dbraw/zinc/15/92/03/416159203.db2.gz IAQOZJMVCOHDIL-HNNXBMFYSA-N 0 0 318.483 0.996 10 0 DCAERN CN(CCCn1ccnc1)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178442448 416162221 /nfs/dbraw/zinc/16/22/21/416162221.db2.gz ZBEZUITVTCNBOU-UHFFFAOYSA-N 0 0 322.390 0.693 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)NCC(=O)NCC1CC1 ZINC000183285551 416240942 /nfs/dbraw/zinc/24/09/42/416240942.db2.gz LAIBAZVUMRLQOU-NSHDSACASA-N 0 0 306.362 0.589 10 0 DCAERN C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636333 416247759 /nfs/dbraw/zinc/24/77/59/416247759.db2.gz YNURHMNVNTXFMR-WFASDCNBSA-N 0 0 319.405 0.435 10 0 DCAERN C[C@]1(O)CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000185798080 416253647 /nfs/dbraw/zinc/25/36/47/416253647.db2.gz VKYASVGFIZIXEW-CJNGLKHVSA-N 0 0 318.377 0.743 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)N1CCCCC1 ZINC000341933862 416254859 /nfs/dbraw/zinc/25/48/59/416254859.db2.gz VYQLGCUYXPRBQH-CHWSQXEVSA-N 0 0 313.467 0.941 10 0 DCAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(N)cc2)n1 ZINC000186349367 416256826 /nfs/dbraw/zinc/25/68/26/416256826.db2.gz XDLGHVRJPSAECM-GFCCVEGCSA-N 0 0 324.362 0.722 10 0 DCAERN CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000358619176 416260685 /nfs/dbraw/zinc/26/06/85/416260685.db2.gz YXNFLSLSXQTQMF-ZKYQVNSYSA-N 0 0 322.409 0.697 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358610972 416260775 /nfs/dbraw/zinc/26/07/75/416260775.db2.gz WLGVGOYDBUCDGK-ZDUSSCGKSA-N 0 0 311.426 0.951 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)CCN1CCO ZINC000188701800 416264550 /nfs/dbraw/zinc/26/45/50/416264550.db2.gz HFXPHLNNGXYFMQ-QKVFXAPYSA-N 0 0 310.419 0.563 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CCC(C)(C)O2)nn1 ZINC000189624903 416268081 /nfs/dbraw/zinc/26/80/81/416268081.db2.gz ZUDNRAAWJYKQPI-SNVBAGLBSA-N 0 0 309.370 0.054 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(C(C)=O)C[C@@H]1C)C1CCCC1 ZINC000358690959 416269564 /nfs/dbraw/zinc/26/95/64/416269564.db2.gz OSNXGZALWOCMEM-NHYWBVRUSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc([S@@](C)=O)cc2)C1 ZINC000190242058 416275290 /nfs/dbraw/zinc/27/52/90/416275290.db2.gz PPIXSZOQDAWXMW-OAQYLSRUSA-N 0 0 309.391 0.454 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)C1 ZINC000190149801 416276383 /nfs/dbraw/zinc/27/63/83/416276383.db2.gz JUAIYXXSDPTUPU-WDEREUQCSA-N 0 0 310.398 0.306 10 0 DCAERN C[C@@H]1CCSCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000190094534 416276862 /nfs/dbraw/zinc/27/68/62/416276862.db2.gz MSIFULYEROMTRC-SNVBAGLBSA-N 0 0 321.406 0.484 10 0 DCAERN CC[C@@H](O)CCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000359064976 416304620 /nfs/dbraw/zinc/30/46/20/416304620.db2.gz GQPNEDRBYHKOTF-CHWSQXEVSA-N 0 0 313.398 0.227 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000192645004 416309551 /nfs/dbraw/zinc/30/95/51/416309551.db2.gz XOGYMYJLCMYMIC-SMDDNHRTSA-N 0 0 306.362 0.840 10 0 DCAERN COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCOC[C@H]1C ZINC000192646041 416309991 /nfs/dbraw/zinc/30/99/91/416309991.db2.gz ZTXMWOWAFOSMLS-RDBSUJKOSA-N 0 0 314.426 0.953 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOc2cc(C)ccc21 ZINC000193349895 416315885 /nfs/dbraw/zinc/31/58/85/416315885.db2.gz DKVPAXKCFNMDNM-TZMCWYRMSA-N 0 0 304.346 0.702 10 0 DCAERN COC(=O)C1(CNC(=O)N2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000359303633 416320266 /nfs/dbraw/zinc/32/02/66/416320266.db2.gz DCQAJJSLVLBUQM-RYUDHWBXSA-N 0 0 314.382 0.775 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000193913967 416321015 /nfs/dbraw/zinc/32/10/15/416321015.db2.gz HLSQSXPVPAZAHK-ZDUSSCGKSA-N 0 0 320.393 0.162 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000190506738 416279115 /nfs/dbraw/zinc/27/91/15/416279115.db2.gz NKDGDJUOHYVJKG-ZDUSSCGKSA-N 0 0 324.425 0.411 10 0 DCAERN CCCc1cnc(NC(=O)C(=O)N2CC(C(=O)NCC)C2)s1 ZINC000190683523 416280425 /nfs/dbraw/zinc/28/04/25/416280425.db2.gz YKQMOQXBCKGALV-UHFFFAOYSA-N 0 0 324.406 0.629 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000190738430 416281430 /nfs/dbraw/zinc/28/14/30/416281430.db2.gz NQKLZMQHWYEKDY-RKDXNWHRSA-N 0 0 324.406 0.756 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(Nc3cccnn3)CC2)C1 ZINC000191830395 416289680 /nfs/dbraw/zinc/28/96/80/416289680.db2.gz SGIFYGHQSYWTLN-UHFFFAOYSA-N 0 0 303.366 0.358 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)CCOCCOC)CCO2)cn1 ZINC000191786891 416290763 /nfs/dbraw/zinc/29/07/63/416290763.db2.gz XEQXXPSUFPGNKF-AWEZNQCLSA-N 0 0 311.382 0.856 10 0 DCAERN C[C@H](CNC(=O)CNC(=O)c1ccccn1)N1CCCCC1=O ZINC000191968631 416294054 /nfs/dbraw/zinc/29/40/54/416294054.db2.gz GMQOHZOKNBKWNW-GFCCVEGCSA-N 0 0 318.377 0.329 10 0 DCAERN CSCCCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000352162914 416298059 /nfs/dbraw/zinc/29/80/59/416298059.db2.gz TWEUTMZEHSRHDH-JTQLQIEISA-N 0 0 309.457 0.161 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1O ZINC000192042702 416298369 /nfs/dbraw/zinc/29/83/69/416298369.db2.gz QCQATPDRMXMGDE-USWWRNFRSA-N 0 0 306.366 0.822 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@@H](N2CCOCC2)C1 ZINC000246888187 416332432 /nfs/dbraw/zinc/33/24/32/416332432.db2.gz HAIHWHJAZPYEIS-QWHCGFSZSA-N 0 0 312.414 0.016 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)[C@H](C)OC)C1 ZINC000263420005 416337968 /nfs/dbraw/zinc/33/79/68/416337968.db2.gz WRJSKLJZTUGEJA-QKEWWQLBSA-N 0 0 301.387 0.647 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000359522818 416349738 /nfs/dbraw/zinc/34/97/38/416349738.db2.gz FJQKMQHXCMPZOH-MNOVXSKESA-N 0 0 311.382 0.781 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000194689258 416324091 /nfs/dbraw/zinc/32/40/91/416324091.db2.gz SBKFUUNPEXAYGV-RYUDHWBXSA-N 0 0 303.428 0.011 10 0 DCAERN Cn1c(CN2CCC[C@H](NS(C)(=O)=O)C2)nnc1C1CC1 ZINC000195075083 416325088 /nfs/dbraw/zinc/32/50/88/416325088.db2.gz ULBADNVTYQJWKZ-NSHDSACASA-N 0 0 313.427 0.206 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@H](NS(C)(=O)=O)C2)n1C ZINC000195075157 416325093 /nfs/dbraw/zinc/32/50/93/416325093.db2.gz SIWLNRUAFCOKSO-NSHDSACASA-N 0 0 315.443 0.452 10 0 DCAERN CC(C)n1nnnc1CN1Cc2ccccc2C[C@H]1C(N)=O ZINC000195030758 416325109 /nfs/dbraw/zinc/32/51/09/416325109.db2.gz ZLPDJTMCSOZDCM-ZDUSSCGKSA-N 0 0 300.366 0.666 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)C[C@@H](C)OC)CCN1CCOC ZINC000195265003 416325866 /nfs/dbraw/zinc/32/58/66/416325866.db2.gz NJCFNGORDKHLJN-OLZOCXBDSA-N 0 0 308.444 0.394 10 0 DCAERN CC(C)S(=O)(=O)CCN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246295187 416331829 /nfs/dbraw/zinc/33/18/29/416331829.db2.gz BIMCOUUEJVOJTA-ZIAGYGMSSA-N 0 0 304.456 0.462 10 0 DCAERN CS[C@H](C)CNC(=O)C(=O)N1CCSC[C@H]1CCO ZINC000360118877 416371798 /nfs/dbraw/zinc/37/17/98/416371798.db2.gz RUUNZVVRNRELLL-NXEZZACHSA-N 0 0 306.453 0.181 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)NCCS(=O)(=O)N(C)C ZINC000359805618 416359402 /nfs/dbraw/zinc/35/94/02/416359402.db2.gz YNRAHXZNSNFJKR-NSHDSACASA-N 0 0 306.428 0.780 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CC(n3ccnn3)C2)CCCC1 ZINC000360337887 416386153 /nfs/dbraw/zinc/38/61/53/416386153.db2.gz SLFHWZSSCNQETI-UHFFFAOYSA-N 0 0 306.370 0.293 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)N[C@H](CO)C(C)C)no1 ZINC000360438925 416390056 /nfs/dbraw/zinc/39/00/56/416390056.db2.gz UEPGDFLNJJVNQX-VHSXEESVSA-N 0 0 300.359 0.983 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N[C@H](CO)C2CCOCC2)cn1 ZINC000360741251 416406846 /nfs/dbraw/zinc/40/68/46/416406846.db2.gz VZLJSEJMSMFGNJ-CYBMUJFWSA-N 0 0 323.393 0.725 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1CC(=O)NC(=O)NC1CC1 ZINC000532888298 416461956 /nfs/dbraw/zinc/46/19/56/416461956.db2.gz QIWLLPPKBNKCFS-CYBMUJFWSA-N 0 0 305.382 0.935 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)Oc1ccccc1 ZINC000458406761 416462820 /nfs/dbraw/zinc/46/28/20/416462820.db2.gz WQQZGEPAVQXFAB-CHWSQXEVSA-N 0 0 319.365 0.406 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](CC)C(C)(C)O)C1 ZINC000458552276 416480176 /nfs/dbraw/zinc/48/01/76/416480176.db2.gz VTRWAXDFXFHIAG-GHMZBOCLSA-N 0 0 300.403 0.639 10 0 DCAERN CC(C)(O)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434578229 416486249 /nfs/dbraw/zinc/48/62/49/416486249.db2.gz WTWHPLIKNIYCMT-UHFFFAOYSA-N 0 0 309.366 1.332 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NCc2nnc3ccccn32)[C@@H]1OC ZINC000361229447 416426990 /nfs/dbraw/zinc/42/69/90/416426990.db2.gz ANJMNNQFRYHTDT-WDMOLILDSA-N 0 0 319.365 0.721 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)OCC ZINC000361407117 416435375 /nfs/dbraw/zinc/43/53/75/416435375.db2.gz CKOQSXCWDLKJRQ-OPUZMVJGSA-N 0 0 305.396 0.983 10 0 DCAERN COCC1(CNC(=O)NC[C@@H](O)Cn2ccnn2)CCCC1 ZINC000459118964 416524146 /nfs/dbraw/zinc/52/41/46/416524146.db2.gz LANHERVFMCZQNJ-GFCCVEGCSA-N 0 0 311.386 0.145 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCOC1 ZINC000361851058 416508614 /nfs/dbraw/zinc/50/86/14/416508614.db2.gz MPNUZSVEVSTNQE-LLVKDONJSA-N 0 0 308.382 0.977 10 0 DCAERN CNC(=O)CCCN(C)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361887736 416517425 /nfs/dbraw/zinc/51/74/25/416517425.db2.gz FKDWOMUYIJLFCN-UHFFFAOYSA-N 0 0 323.397 0.467 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CC2(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438893857 416604621 /nfs/dbraw/zinc/60/46/21/416604621.db2.gz KBGFPMIJWOWCDF-SNVBAGLBSA-N 0 0 316.361 0.469 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCc1nnc2n1CCCC2)C(C)C ZINC000541581066 416608732 /nfs/dbraw/zinc/60/87/32/416608732.db2.gz IHFBVEFLUMVFMB-CQSZACIVSA-N 0 0 307.398 0.434 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cn3cccnc3n2)O1 ZINC000538227912 416566814 /nfs/dbraw/zinc/56/68/14/416566814.db2.gz KZUIPBWBFVNSGW-ZYHUDNBSSA-N 0 0 317.349 0.095 10 0 DCAERN CN(CCCO)C(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000441889996 416683384 /nfs/dbraw/zinc/68/33/84/416683384.db2.gz AWNWQTBSHCVQGX-UHFFFAOYSA-N 0 0 305.334 0.306 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@@H]2CNC(=O)C2)cccc1N(C)C ZINC000440461757 416635569 /nfs/dbraw/zinc/63/55/69/416635569.db2.gz BHNWSTTZGHEAKP-JTQLQIEISA-N 0 0 304.350 0.004 10 0 DCAERN NC(=O)c1ccc(CNC(=O)Cn2ncc3ccccc32)cn1 ZINC000440668297 416643424 /nfs/dbraw/zinc/64/34/24/416643424.db2.gz KEUYRKJVFRNMOJ-UHFFFAOYSA-N 0 0 309.329 0.847 10 0 DCAERN CCOc1nccnc1N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000544147154 416652654 /nfs/dbraw/zinc/65/26/54/416652654.db2.gz OJJMFPBEEQDKBT-UHFFFAOYSA-N 0 0 303.370 0.624 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000440902657 416653818 /nfs/dbraw/zinc/65/38/18/416653818.db2.gz HTMRTKHVQOLNFF-MNOVXSKESA-N 0 0 315.439 0.898 10 0 DCAERN CN(CCCO)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000440940368 416654290 /nfs/dbraw/zinc/65/42/90/416654290.db2.gz GWWDNPOVUYBXHD-UHFFFAOYSA-N 0 0 311.357 0.348 10 0 DCAERN COC(=O)c1ccc(CN2CCN(Cc3nnc(C)[nH]3)CC2)o1 ZINC000610487675 416657901 /nfs/dbraw/zinc/65/79/01/416657901.db2.gz QKOXVQZIMLHKKF-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000545229123 416666640 /nfs/dbraw/zinc/66/66/40/416666640.db2.gz GGBNTAWVDOGVMA-GXTWGEPZSA-N 0 0 308.386 0.557 10 0 DCAERN CC(C)Cn1nccc1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000441305401 416667725 /nfs/dbraw/zinc/66/77/25/416667725.db2.gz AHHSXOHDOBNXHC-UHFFFAOYSA-N 0 0 317.353 0.153 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@@H](CC(N)=O)C2)n1 ZINC000441452889 416672349 /nfs/dbraw/zinc/67/23/49/416672349.db2.gz QLFGFKYXECRTSG-LBPRGKRZSA-N 0 0 320.393 0.930 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(F)(F)CN2)cn1 ZINC000368625575 416675711 /nfs/dbraw/zinc/67/57/11/416675711.db2.gz PTCJTBJZIXFCPQ-MRVPVSSYSA-N 0 0 305.306 0.421 10 0 DCAERN CC(=O)c1cccc(C(=O)N[C@@H](CO)CN2CCOCC2)c1 ZINC000425291639 416691091 /nfs/dbraw/zinc/69/10/91/416691091.db2.gz RQYDOUXTKYHHCA-OAHLLOKOSA-N 0 0 306.362 0.312 10 0 DCAERN CN(C(=O)C(=O)Nc1cccc2c1OCCC2)[C@@H]1CCNC1=O ZINC000442275016 416691387 /nfs/dbraw/zinc/69/13/87/416691387.db2.gz XDVUYJOPIBZSTH-GFCCVEGCSA-N 0 0 317.345 0.297 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368824225 416694607 /nfs/dbraw/zinc/69/46/07/416694607.db2.gz KSLLCCDTJPMXFL-AWEZNQCLSA-N 0 0 303.362 0.203 10 0 DCAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000368824964 416694761 /nfs/dbraw/zinc/69/47/61/416694761.db2.gz MWWPUQRDVLWPOR-HNNXBMFYSA-N 0 0 313.361 0.424 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2csc(NC3CC3)n2)C1 ZINC000552354156 416700151 /nfs/dbraw/zinc/70/01/51/416700151.db2.gz RHQCJXQHEDXULH-JTQLQIEISA-N 0 0 308.407 1.316 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CCC(=O)N[C@H]2C)no1 ZINC000442706251 416707207 /nfs/dbraw/zinc/70/72/07/416707207.db2.gz CVEATITUKIOCAS-IUCAKERBSA-N 0 0 309.370 0.833 10 0 DCAERN CO[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000368977199 416711880 /nfs/dbraw/zinc/71/18/80/416711880.db2.gz CTNRJSDGJCQPBA-PSASIEDQSA-N 0 0 308.338 0.660 10 0 DCAERN COC[C@@H](NC(=O)Nc1ncn(C(C)(C)C)n1)[C@H]1CCCO1 ZINC000555800603 416713214 /nfs/dbraw/zinc/71/32/14/416713214.db2.gz RCVOEEIOMIYJNR-GHMZBOCLSA-N 0 0 311.386 1.349 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Cc2nnc(NC)s2)no1 ZINC000443355789 416754333 /nfs/dbraw/zinc/75/43/33/416754333.db2.gz ZOKISKPLOSJHNH-UHFFFAOYSA-N 0 0 310.383 1.119 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1CC[C@H]1COc2ccccc2O1 ZINC000516703076 416735241 /nfs/dbraw/zinc/73/52/41/416735241.db2.gz AQXPQDPFYUBLCE-ZBEGNZNMSA-N 0 0 318.329 0.927 10 0 DCAERN COc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)ncn1 ZINC000623085621 416740140 /nfs/dbraw/zinc/74/01/40/416740140.db2.gz WZIWASSSKRJDER-BXKDBHETSA-N 0 0 318.337 0.870 10 0 DCAERN Cc1cc(CCNC(=O)N2CCC[C@H](S(C)(=O)=O)C2)on1 ZINC000558173276 416765109 /nfs/dbraw/zinc/76/51/09/416765109.db2.gz HECASRMVKZMBOA-LBPRGKRZSA-N 0 0 315.395 0.744 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@@H]1CCCS1(=O)=O ZINC000558646109 416782924 /nfs/dbraw/zinc/78/29/24/416782924.db2.gz RIEDSCQDBDBJIH-LBPRGKRZSA-N 0 0 304.412 0.680 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCC(=O)NC2CCCCC2)C1 ZINC000369974802 416860959 /nfs/dbraw/zinc/86/09/59/416860959.db2.gz GAUJQJPVGYBZPK-MRXNPFEDSA-N 0 0 309.410 0.810 10 0 DCAERN CCO[C@@H]1C[C@@](NCc2nnc(C)n2C)(C(=O)OC)C1(C)C ZINC000444746942 416863373 /nfs/dbraw/zinc/86/33/73/416863373.db2.gz GRFASAWRPGCCNM-IAQYHMDHSA-N 0 0 310.398 0.960 10 0 DCAERN CCO[C@H]1C[C@](NCc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000444748662 416863574 /nfs/dbraw/zinc/86/35/74/416863574.db2.gz RAKXSRXMGBRLQJ-NHYWBVRUSA-N 0 0 323.397 0.844 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)C[C@H](C(N)=O)O1 ZINC000623554192 416843549 /nfs/dbraw/zinc/84/35/49/416843549.db2.gz VBEMOULEPDKAIW-CMPLNLGQSA-N 0 0 321.381 0.004 10 0 DCAERN CC(C)[C@H]1C[C@H](NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000623845959 416909174 /nfs/dbraw/zinc/90/91/74/416909174.db2.gz CEXYDYDUZGTFPV-LPWJVIDDSA-N 0 0 313.398 0.474 10 0 DCAERN CNc1ncc(C(=O)NC2CCN(c3cccnn3)CC2)s1 ZINC000372937318 416944791 /nfs/dbraw/zinc/94/47/91/416944791.db2.gz UUMFLDCYJXZRSH-UHFFFAOYSA-N 0 0 318.406 1.374 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000446748089 416945030 /nfs/dbraw/zinc/94/50/30/416945030.db2.gz KYAKKUCOGMUQLE-UHFFFAOYSA-N 0 0 302.338 0.488 10 0 DCAERN OC[C@@H]1C[C@H](O)CN1c1nccc(N2Cc3ccccc3C2)n1 ZINC000624070108 416948650 /nfs/dbraw/zinc/94/86/50/416948650.db2.gz BSBWYXNLHXOZJT-GJZGRUSLSA-N 0 0 312.373 0.929 10 0 DCAERN CCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCNC1=O ZINC000565813066 417019511 /nfs/dbraw/zinc/01/95/11/417019511.db2.gz HOJGPUAVMNRXDE-LLVKDONJSA-N 0 0 305.334 0.564 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H]2C[C@H]2C)C1 ZINC000447694505 417020385 /nfs/dbraw/zinc/02/03/85/417020385.db2.gz IEPWGTKRCFCTQE-XJFOESAGSA-N 0 0 300.399 0.698 10 0 DCAERN O=C(NCCc1nnc[nH]1)Nc1ccc(N2CCC2=O)cc1 ZINC000565342054 416967582 /nfs/dbraw/zinc/96/75/82/416967582.db2.gz KYHNENUMVPNMBZ-UHFFFAOYSA-N 0 0 300.322 0.906 10 0 DCAERN COC(=O)[C@@]1(NC(=O)c2oc(CC3CC3)nc2C)CCOC1 ZINC000616166374 416979628 /nfs/dbraw/zinc/97/96/28/416979628.db2.gz ADDZMTBTNIISTQ-OAHLLOKOSA-N 0 0 308.334 0.997 10 0 DCAERN Cn1cc([C@@H](NC(=O)C(=O)NCC2CC2)C(F)(F)F)cn1 ZINC000447268671 416981643 /nfs/dbraw/zinc/98/16/43/416981643.db2.gz WOQLBSGFEIDVJB-SECBINFHSA-N 0 0 304.272 0.666 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000375686273 417006936 /nfs/dbraw/zinc/00/69/36/417006936.db2.gz BAAPEQZGNMBHTB-KGLIPLIRSA-N 0 0 305.382 0.843 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000447965205 417052159 /nfs/dbraw/zinc/05/21/59/417052159.db2.gz OOYQEPIUWWICPW-INIZCTEOSA-N 0 0 315.329 0.337 10 0 DCAERN CC(=O)Nc1cccc([C@@H]2CCN(S(N)(=O)=O)CCO2)c1 ZINC000616593713 417082817 /nfs/dbraw/zinc/08/28/17/417082817.db2.gz LFZHISLEIMJOFO-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2CNCCN2S(N)(=O)=O)cc1 ZINC000616600769 417084478 /nfs/dbraw/zinc/08/44/78/417084478.db2.gz ISWVMBKHCVIGBJ-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2COCCN2S(N)(=O)=O)c1 ZINC000616642838 417087607 /nfs/dbraw/zinc/08/76/07/417087607.db2.gz KSALFYIJXFCQOW-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1c1cc(N)n[nH]1 ZINC000616639670 417087942 /nfs/dbraw/zinc/08/79/42/417087942.db2.gz NNSSWVBALKRNBD-LLVKDONJSA-N 0 0 311.386 0.890 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2nn[nH]n2)C1 ZINC000616664627 417089521 /nfs/dbraw/zinc/08/95/21/417089521.db2.gz ZYISLAILIMYSRZ-SNVBAGLBSA-N 0 0 312.374 0.140 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1S(C)(=O)=O ZINC000616658492 417090967 /nfs/dbraw/zinc/09/09/67/417090967.db2.gz UDQIMPPZVXSUCG-NSHDSACASA-N 0 0 322.427 0.604 10 0 DCAERN Nc1cc([C@@H]2CNc3ccccc3N2S(N)(=O)=O)ccn1 ZINC000616682148 417094524 /nfs/dbraw/zinc/09/45/24/417094524.db2.gz CMLSUAMWFFWHKP-LBPRGKRZSA-N 0 0 305.363 0.841 10 0 DCAERN Nc1cc([C@H]2CNc3ccccc3N2S(N)(=O)=O)ccn1 ZINC000616682029 417094761 /nfs/dbraw/zinc/09/47/61/417094761.db2.gz CMLSUAMWFFWHKP-GFCCVEGCSA-N 0 0 305.363 0.841 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632471055 417109817 /nfs/dbraw/zinc/10/98/17/417109817.db2.gz YHZJRHSOKRMCGJ-ZDUSSCGKSA-N 0 0 316.423 0.627 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632471054 417111119 /nfs/dbraw/zinc/11/11/19/417111119.db2.gz YHZJRHSOKRMCGJ-CYBMUJFWSA-N 0 0 316.423 0.627 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 ZINC000404134068 417119209 /nfs/dbraw/zinc/11/92/09/417119209.db2.gz FHJJGQAAJQLCPI-AWEZNQCLSA-N 0 0 313.375 0.709 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)N3CCS(=O)(=O)CC3)nc2c1 ZINC000524796468 417120144 /nfs/dbraw/zinc/12/01/44/417120144.db2.gz CWJPVKNLEHPARR-UHFFFAOYSA-N 0 0 322.390 0.811 10 0 DCAERN CC(=O)NC1CN(C(=O)c2nscc2Br)C1 ZINC000404773103 417121211 /nfs/dbraw/zinc/12/12/11/417121211.db2.gz CGNIOEIHSGQKRY-UHFFFAOYSA-N 0 0 304.169 0.866 10 0 DCAERN NC(=O)[C@@H]1CCN(C(=O)c2nscc2Br)C1 ZINC000404845927 417121796 /nfs/dbraw/zinc/12/17/96/417121796.db2.gz QDPOLXINPGASGO-RXMQYKEDSA-N 0 0 304.169 0.853 10 0 DCAERN Cc1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c(F)c1 ZINC000404972920 417122299 /nfs/dbraw/zinc/12/22/99/417122299.db2.gz SJHRERLAVPUMQT-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@H]2COC(C)(C)C2)CC1 ZINC000624904582 417133870 /nfs/dbraw/zinc/13/38/70/417133870.db2.gz VMMDEVUJJVKNBG-CYBMUJFWSA-N 0 0 318.439 0.826 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000408054345 417137738 /nfs/dbraw/zinc/13/77/38/417137738.db2.gz ZHMIZYYTOPJYSI-KCPJHIHWSA-N 0 0 307.394 0.985 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408076255 417139899 /nfs/dbraw/zinc/13/98/99/417139899.db2.gz FZTCZIWAWFKZCD-NWDGAFQWSA-N 0 0 303.428 0.420 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](c2ccnc(N)n2)C1)N1CCOCC1 ZINC000408081030 417141209 /nfs/dbraw/zinc/14/12/09/417141209.db2.gz QMTARYCJAQCLIB-OLZOCXBDSA-N 0 0 319.409 0.486 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000408129910 417142298 /nfs/dbraw/zinc/14/22/98/417142298.db2.gz SKKKPUNJYYVTEN-BBBLOLIVSA-N 0 0 307.316 0.735 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)CC1 ZINC000624957149 417143038 /nfs/dbraw/zinc/14/30/38/417143038.db2.gz YIGMKXUGPPHVKP-ZDUSSCGKSA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000408137217 417144475 /nfs/dbraw/zinc/14/44/75/417144475.db2.gz IOONGYKZMWJWSN-STQMWFEESA-N 0 0 307.460 0.206 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cnc3cnccn23)CC12COC2 ZINC000449357990 417145871 /nfs/dbraw/zinc/14/58/71/417145871.db2.gz FERKGMVMRCVTML-ZDUSSCGKSA-N 0 0 316.361 0.741 10 0 DCAERN C[C@H]1[C@H](C(=O)N2CCN(c3nc(N)ns3)CC2)C1(F)F ZINC000408233417 417148699 /nfs/dbraw/zinc/14/86/99/417148699.db2.gz UNRCKWBBAHHSIV-NKWVEPMBSA-N 0 0 303.338 0.670 10 0 DCAERN CN(C)c1nccc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000408372379 417157154 /nfs/dbraw/zinc/15/71/54/417157154.db2.gz HXOLQRHBZYFQFA-UHFFFAOYSA-N 0 0 304.354 0.063 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2COCCO2)CCS1(=O)=O ZINC000408377698 417159102 /nfs/dbraw/zinc/15/91/02/417159102.db2.gz RMJSFONJACJDGE-LLVKDONJSA-N 0 0 305.396 0.218 10 0 DCAERN c1cnc(-c2ccnc(NCCCN3CCOCC3)n2)cn1 ZINC000450207218 417205424 /nfs/dbraw/zinc/20/54/24/417205424.db2.gz CDEOCSYOQBXCRQ-UHFFFAOYSA-N 0 0 300.366 1.068 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000450450809 417228481 /nfs/dbraw/zinc/22/84/81/417228481.db2.gz HMQBYKIPSDYKOX-UHFFFAOYSA-N 0 0 304.354 0.198 10 0 DCAERN COc1cc(NC(=O)c2cn(CC(=O)N(C)C)nn2)ccc1O ZINC000438082176 287366993 /nfs/dbraw/zinc/36/69/93/287366993.db2.gz QIXKYEMGHGYHED-UHFFFAOYSA-N 0 0 319.321 0.333 10 0 DCAERN CO[C@@H](C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000620721365 417270179 /nfs/dbraw/zinc/27/01/79/417270179.db2.gz BXOVKNKJSXQIGV-HOCLYGCPSA-N 0 0 305.422 0.954 10 0 DCAERN C[C@H](CN1C(=O)N[C@H](CCOC(C)(C)C)C1=O)S(C)(=O)=O ZINC000570471529 417360408 /nfs/dbraw/zinc/36/04/08/417360408.db2.gz JSDSNBSECHMNGM-NXEZZACHSA-N 0 0 320.411 0.545 10 0 DCAERN CCO[C@@H]1C[C@@](O)(CNC(=O)Cc2cn(C)nc2C)C1(C)C ZINC000451110055 417299270 /nfs/dbraw/zinc/29/92/70/417299270.db2.gz BUEGNLDLUWBFAW-CZUORRHYSA-N 0 0 309.410 0.953 10 0 DCAERN CCOC(=O)[C@H]1CN([C@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139241 417305617 /nfs/dbraw/zinc/30/56/17/417305617.db2.gz RWUYARDFJKVFFR-ZYHUDNBSSA-N 0 0 321.381 0.581 10 0 DCAERN CCOC(=O)[C@H]1CN([C@@H](C)C(=O)NCC(C)C)CC12COC2 ZINC000451144077 417305705 /nfs/dbraw/zinc/30/57/05/417305705.db2.gz XOUQYUBWNOXOCC-QWHCGFSZSA-N 0 0 312.410 0.659 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000528792921 417394585 /nfs/dbraw/zinc/39/45/85/417394585.db2.gz WDZBXDQVLXNBHO-YRGRVCCFSA-N 0 0 320.393 0.955 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000528792912 417395108 /nfs/dbraw/zinc/39/51/08/417395108.db2.gz WDZBXDQVLXNBHO-MBNYWOFBSA-N 0 0 320.393 0.955 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000633267535 417398316 /nfs/dbraw/zinc/39/83/16/417398316.db2.gz QFLHBWXPWPYKPU-TUVASFSCSA-N 0 0 310.394 0.386 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000633322269 417409880 /nfs/dbraw/zinc/40/98/80/417409880.db2.gz YWGATIIMTFJIAA-QWHCGFSZSA-N 0 0 316.423 0.423 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000571064346 417421215 /nfs/dbraw/zinc/42/12/15/417421215.db2.gz NJEJBKPPKDXVCV-BETUJISGSA-N 0 0 304.346 0.868 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(Cn3ccnn3)c2)C1 ZINC000622259641 417422729 /nfs/dbraw/zinc/42/27/29/417422729.db2.gz VXTZTAKWRDGORJ-OAHLLOKOSA-N 0 0 313.361 0.677 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1S(C)(=O)=O ZINC000633421003 417425027 /nfs/dbraw/zinc/42/50/27/417425027.db2.gz MKIAALFRZNAKJE-CYBMUJFWSA-N 0 0 324.402 0.717 10 0 DCAERN O=C(N[C@H]1C[C@@H](CO)C1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000633833944 417491555 /nfs/dbraw/zinc/49/15/55/417491555.db2.gz SUQCXCGBDMLFCR-ZRUFSTJUSA-N 0 0 311.300 0.858 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC12COC2 ZINC000452226495 417460841 /nfs/dbraw/zinc/46/08/41/417460841.db2.gz KFJYMTBMMMSYDE-ZDUSSCGKSA-N 0 0 321.377 0.607 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC000633602983 417461392 /nfs/dbraw/zinc/46/13/92/417461392.db2.gz RQZZYMATSPAMMS-STQMWFEESA-N 0 0 322.409 0.607 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000633659259 417471673 /nfs/dbraw/zinc/47/16/73/417471673.db2.gz LPCACRDTJJICFH-KBPBESRZSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@]2(C)COc3ccccc3O2)C1 ZINC000529617015 417478674 /nfs/dbraw/zinc/47/86/74/417478674.db2.gz LFOJOYMDMVPALK-MRXNPFEDSA-N 0 0 304.346 0.811 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000633689026 417478961 /nfs/dbraw/zinc/47/89/61/417478961.db2.gz YIEPURKXGNFELC-STQMWFEESA-N 0 0 304.350 0.857 10 0 DCAERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000529988422 417533197 /nfs/dbraw/zinc/53/31/97/417533197.db2.gz SYPKEIBZMXREBD-SDCKUUTBSA-N 0 0 318.420 0.937 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530073529 417539077 /nfs/dbraw/zinc/53/90/77/417539077.db2.gz RIDHMBMCHCUYCF-VJAMOUOBSA-N 0 0 312.435 0.899 10 0 DCAERN CCOCCCNC(=O)N1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000454191261 417548520 /nfs/dbraw/zinc/54/85/20/417548520.db2.gz KJSPCVSAQDJTOX-LBPRGKRZSA-N 0 0 314.382 0.634 10 0 DCAERN CCOCCCNC(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000454191260 417549607 /nfs/dbraw/zinc/54/96/07/417549607.db2.gz KJSPCVSAQDJTOX-GFCCVEGCSA-N 0 0 314.382 0.634 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC(F)(F)F)CC12COC2 ZINC000454206694 417551693 /nfs/dbraw/zinc/55/16/93/417551693.db2.gz OTRVAIAQJOFVBH-QMMMGPOBSA-N 0 0 310.272 0.770 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cc(C)nn2C)CC12COC2 ZINC000454248317 417555228 /nfs/dbraw/zinc/55/52/28/417555228.db2.gz SFUSKLVFCKYOIF-LLVKDONJSA-N 0 0 322.365 0.772 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000633866406 417501567 /nfs/dbraw/zinc/50/15/67/417501567.db2.gz APHKCACKVRBVAE-VXGBXAGGSA-N 0 0 315.373 0.848 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000627775294 417502354 /nfs/dbraw/zinc/50/23/54/417502354.db2.gz FZQSGQWJFOHEDB-KBPBESRZSA-N 0 0 320.345 0.484 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000633876564 417504558 /nfs/dbraw/zinc/50/45/58/417504558.db2.gz NMLZQIJPGNXMIM-HZPDHXFCSA-N 0 0 308.378 0.893 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000530460672 417577243 /nfs/dbraw/zinc/57/72/43/417577243.db2.gz FQHZTBHLEUJCDV-QJPTWQEYSA-N 0 0 319.427 0.277 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000530514303 417581597 /nfs/dbraw/zinc/58/15/97/417581597.db2.gz VEHJNPXKXZSIBW-MNOVXSKESA-N 0 0 321.443 0.571 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000644451099 417582552 /nfs/dbraw/zinc/58/25/52/417582552.db2.gz IOIOJUHQWUJZGT-CYBMUJFWSA-N 0 0 319.361 0.045 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCOCC1CCC1 ZINC000576203735 417588790 /nfs/dbraw/zinc/58/87/90/417588790.db2.gz HICGDJQGYFQABV-LLVKDONJSA-N 0 0 304.412 0.632 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)Nc1ccc2c(n1)CCC2 ZINC000644494947 417601969 /nfs/dbraw/zinc/60/19/69/417601969.db2.gz HATTZEWRZABRHK-ZDUSSCGKSA-N 0 0 303.362 0.882 10 0 DCAERN Cc1cc(NC(=O)CN2CCCC[C@H](O)C2=O)nn1C(C)C ZINC000644500861 417603518 /nfs/dbraw/zinc/60/35/18/417603518.db2.gz BQZGJEJMPXKEOD-LBPRGKRZSA-N 0 0 308.382 1.084 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2nc(CC)no2)CC12COC2 ZINC000455575320 417609420 /nfs/dbraw/zinc/60/94/20/417609420.db2.gz BFSWFCKMBCEOLX-VIFPVBQESA-N 0 0 324.337 0.097 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000576577844 417619457 /nfs/dbraw/zinc/61/94/57/417619457.db2.gz UKTLTDMAJCKFIW-CQSZACIVSA-N 0 0 323.374 0.820 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000531921302 417649972 /nfs/dbraw/zinc/64/99/72/417649972.db2.gz VCFWHTMBQMKOMV-JSGCOSHPSA-N 0 0 313.398 0.444 10 0 DCAERN CC(=O)CCCC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000628579574 417658187 /nfs/dbraw/zinc/65/81/87/417658187.db2.gz YNDGAJPOVBVFGZ-INIZCTEOSA-N 0 0 312.410 0.478 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 ZINC000628592403 417663945 /nfs/dbraw/zinc/66/39/45/417663945.db2.gz SBKFOFBDAJYNEB-CABCVRRESA-N 0 0 307.346 0.924 10 0 DCAERN CC[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)C(=O)NC ZINC000457051322 417681111 /nfs/dbraw/zinc/68/11/11/417681111.db2.gz NGBVBBQWEVCYTH-GFCCVEGCSA-N 0 0 301.350 0.586 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H](C)O2)n1 ZINC000628862067 417705327 /nfs/dbraw/zinc/70/53/27/417705327.db2.gz KWGPUKJZWZRWIE-ZYHUDNBSSA-N 0 0 318.333 0.528 10 0 DCAERN C[C@@H](Sc1ccccc1)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458118456 417721302 /nfs/dbraw/zinc/72/13/02/417721302.db2.gz BNBQMJHGXVZTCZ-NEPJUHHUSA-N 0 0 306.391 0.936 10 0 DCAERN C[C@H](Cc1ccccc1F)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458133507 417723627 /nfs/dbraw/zinc/72/36/27/417723627.db2.gz IGGCZUAHIFLCFU-DGCLKSJQSA-N 0 0 306.341 0.773 10 0 DCAERN Cc1cc2ccccc2n1CC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458127700 417723876 /nfs/dbraw/zinc/72/38/76/417723876.db2.gz DBPZVPXQNHZWOV-CQSZACIVSA-N 0 0 313.361 0.719 10 0 DCAERN CCOc1nc(C)ccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458152984 417725902 /nfs/dbraw/zinc/72/59/02/417725902.db2.gz YDWHAKWSMJXPQE-LLVKDONJSA-N 0 0 305.338 0.171 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1cc(Br)c[nH]1 ZINC000628923941 417728338 /nfs/dbraw/zinc/72/83/38/417728338.db2.gz AFIIJFPVSHAUIV-VIFPVBQESA-N 0 0 302.172 0.838 10 0 DCAERN CO[C@@H]1CN(C(=O)N(C)CC(F)(F)F)C[C@H]1c1cn[nH]n1 ZINC000657145116 417823771 /nfs/dbraw/zinc/82/37/71/417823771.db2.gz CLRKXODWFCRTAU-IONNQARKSA-N 0 0 307.276 0.833 10 0 DCAERN COCc1nc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cs1 ZINC000651920558 417818079 /nfs/dbraw/zinc/81/80/79/417818079.db2.gz WDWJFUWANRHCFG-SECBINFHSA-N 0 0 305.425 0.413 10 0 DCAERN CCOc1cc(N[C@H]2CS(=O)(=O)C[C@H]2OC)nc(C)n1 ZINC000664273027 418109419 /nfs/dbraw/zinc/10/94/19/418109419.db2.gz PRTQEXSZMFQDIU-VHSXEESVSA-N 0 0 301.368 0.408 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)cn1 ZINC000664269639 418107707 /nfs/dbraw/zinc/10/77/07/418107707.db2.gz QOLWUQFTRNEFAI-SFYZADRCSA-N 0 0 322.184 0.463 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncncc1Br ZINC000664272233 418107879 /nfs/dbraw/zinc/10/78/79/418107879.db2.gz ZYFZCOLHRXLECQ-HTQZYQBOSA-N 0 0 322.184 0.463 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCNC1=O ZINC000657030956 418405924 /nfs/dbraw/zinc/40/59/24/418405924.db2.gz VJFJCNQIVOPLGF-MRVPVSSYSA-N 0 0 304.755 0.515 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)NCCCn1ccnn1)CS2 ZINC000182899741 545906616 /nfs/dbraw/zinc/90/66/16/545906616.db2.gz ATDOAWQATZJIDU-MFKMUULPSA-N 0 0 309.395 0.238 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccnc1C ZINC000488153607 287546735 /nfs/dbraw/zinc/54/67/35/287546735.db2.gz TUJWUILDPSOVCV-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC[C@@H](C)OC ZINC000488289169 287548447 /nfs/dbraw/zinc/54/84/47/287548447.db2.gz FQPALCYHNHPFST-MXWKQRLJSA-N 0 0 302.371 0.374 10 0 DCAERN NC(=O)c1cc(Cl)nnc1NCc1ccnc2ccnn21 ZINC000302013802 230034817 /nfs/dbraw/zinc/03/48/17/230034817.db2.gz BIUTVANJCMAIJO-UHFFFAOYSA-N 0 0 303.713 0.884 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCN(C)CC2)CC[S@@]1=O ZINC000185230634 261119797 /nfs/dbraw/zinc/11/97/97/261119797.db2.gz TZXQRSAMIQSNRR-NRFANRHFSA-N 0 0 315.483 0.384 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)CCc1nc(C(C)(C)C)no1 ZINC000188549787 261128656 /nfs/dbraw/zinc/12/86/56/261128656.db2.gz BYZDNOSNOXRBCO-JTQLQIEISA-N 0 0 308.382 0.989 10 0 DCAERN Cc1cnccc1CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000188840165 261130366 /nfs/dbraw/zinc/13/03/66/261130366.db2.gz UGBKJWVRTRISPJ-UHFFFAOYSA-N 0 0 305.359 0.967 10 0 DCAERN Cc1cc(CCNC(=O)c2cn(CC(N)=O)nn2)cc(C)c1O ZINC000188739602 261131022 /nfs/dbraw/zinc/13/10/22/261131022.db2.gz YTLFIMJRQWOYCE-UHFFFAOYSA-N 0 0 317.349 0.058 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1F ZINC000189609332 261132327 /nfs/dbraw/zinc/13/23/27/261132327.db2.gz LEDXNPHHSOVCFB-ZWNOBZJWSA-N 0 0 324.352 0.935 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000189832561 261133765 /nfs/dbraw/zinc/13/37/65/261133765.db2.gz HUYTUOMRKYVROB-UHFFFAOYSA-N 0 0 310.320 0.401 10 0 DCAERN CCN1CN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1=O ZINC000190590312 261135248 /nfs/dbraw/zinc/13/52/48/261135248.db2.gz JDEQYBDPFUYKMF-UHFFFAOYSA-N 0 0 324.402 0.671 10 0 DCAERN C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C[C@@H](CO)O1 ZINC000190832024 261135275 /nfs/dbraw/zinc/13/52/75/261135275.db2.gz CGJUKACXOBJTIB-ZJUUUORDSA-N 0 0 303.318 0.145 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCCC(=O)NC1CC1 ZINC000192969299 261139672 /nfs/dbraw/zinc/13/96/72/261139672.db2.gz FKHIKQRVUMQUSX-UHFFFAOYSA-N 0 0 321.425 0.937 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)NCCCN1CCCC1=O ZINC000192889992 261139920 /nfs/dbraw/zinc/13/99/20/261139920.db2.gz MQVZARZWSIVZHA-CYBMUJFWSA-N 0 0 312.414 0.019 10 0 DCAERN CN(C)C(=O)CCCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000193530924 261142483 /nfs/dbraw/zinc/14/24/83/261142483.db2.gz AIAONLHXWRCKPA-UHFFFAOYSA-N 0 0 304.350 0.314 10 0 DCAERN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CNC(=O)C1 ZINC000194787207 261148381 /nfs/dbraw/zinc/14/83/81/261148381.db2.gz BWFZNKMHLDWUIC-LBPRGKRZSA-N 0 0 301.346 0.997 10 0 DCAERN O=C(c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000194795992 261148982 /nfs/dbraw/zinc/14/89/82/261148982.db2.gz UDZATFMFVLNJMN-LBPRGKRZSA-N 0 0 319.336 0.246 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@@H]1O ZINC000221896162 261151881 /nfs/dbraw/zinc/15/18/81/261151881.db2.gz IOKCEDWKPCQWAK-UTLUCORTSA-N 0 0 308.300 0.627 10 0 DCAERN CSC[C@@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000228583392 261154049 /nfs/dbraw/zinc/15/40/49/261154049.db2.gz NAPNQTHMZZGVFK-AXFHLTTASA-N 0 0 312.457 0.044 10 0 DCAERN CC(=O)C1(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000354370678 261210456 /nfs/dbraw/zinc/21/04/56/261210456.db2.gz IHQZSWRSWDMJJJ-LLVKDONJSA-N 0 0 302.396 0.286 10 0 DCAERN CO[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000356166781 261399648 /nfs/dbraw/zinc/39/96/48/261399648.db2.gz KGGLQSIIZXQMLO-GFCCVEGCSA-N 0 0 300.336 0.078 10 0 DCAERN CCNC(=O)CC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000357366229 261532535 /nfs/dbraw/zinc/53/25/35/261532535.db2.gz ZJAPZDXFUQEXNG-UHFFFAOYSA-N 0 0 306.288 0.924 10 0 DCAERN COC(=O)CSCCC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357931952 261602993 /nfs/dbraw/zinc/60/29/93/261602993.db2.gz XFNNHMURVHLEMX-JTQLQIEISA-N 0 0 302.396 0.362 10 0 DCAERN CC(C)(C)NC(=O)N1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000358189018 261645216 /nfs/dbraw/zinc/64/52/16/261645216.db2.gz SXQXHQFBEUBRLH-UHFFFAOYSA-N 0 0 322.413 0.788 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](CO)C2CC2)C1=O ZINC000358298115 261656195 /nfs/dbraw/zinc/65/61/95/261656195.db2.gz DNZWOQMQXSSKLZ-DGCLKSJQSA-N 0 0 318.373 0.935 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](CO)C2CC2)C1 ZINC000358354176 261660464 /nfs/dbraw/zinc/66/04/64/261660464.db2.gz PAOCQRRRPCENBB-QWHCGFSZSA-N 0 0 318.439 0.183 10 0 DCAERN COC(=O)[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)C1CC1 ZINC000358827888 261703958 /nfs/dbraw/zinc/70/39/58/261703958.db2.gz ZJSYRBNMEFGWCK-CQSZACIVSA-N 0 0 304.350 0.381 10 0 DCAERN Cc1cnc([C@H](NC(=O)C(=O)N(C)CCCO)C2CC2)s1 ZINC000359070016 261720954 /nfs/dbraw/zinc/72/09/54/261720954.db2.gz RJNXLGPHFCGNER-LLVKDONJSA-N 0 0 311.407 0.860 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CCOC1 ZINC000359471867 261748180 /nfs/dbraw/zinc/74/81/80/261748180.db2.gz WZJNTPWLXYVTRI-HNNXBMFYSA-N 0 0 309.366 0.743 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000360740102 261868431 /nfs/dbraw/zinc/86/84/31/261868431.db2.gz SIYIKTRMNJYOPS-LBPRGKRZSA-N 0 0 305.382 0.729 10 0 DCAERN CCOCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360807535 261878175 /nfs/dbraw/zinc/87/81/75/261878175.db2.gz VQKBFRBKWXICTA-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN COCCCS(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000360940284 261888030 /nfs/dbraw/zinc/88/80/30/261888030.db2.gz KGQDOXWEFXLZIU-GFCCVEGCSA-N 0 0 314.363 0.106 10 0 DCAERN Cc1n[nH]cc1CNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361707364 261952438 /nfs/dbraw/zinc/95/24/38/261952438.db2.gz VUGDKOZTVVNKGP-UHFFFAOYSA-N 0 0 304.354 0.830 10 0 DCAERN COC[C@@](C)(NC(=O)Cc1nc2ncccn2n1)C(F)(F)F ZINC000362206151 262009835 /nfs/dbraw/zinc/00/98/35/262009835.db2.gz ZTQRHQADTMULPB-LLVKDONJSA-N 0 0 317.271 0.750 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)cccc1N(C)C ZINC000362236791 262013723 /nfs/dbraw/zinc/01/37/23/262013723.db2.gz RRQAQQVQENYUPY-LLVKDONJSA-N 0 0 320.393 0.592 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@@H](CO)CCC(C)(C)C)ccc1=O ZINC000362267355 262017262 /nfs/dbraw/zinc/01/72/62/262017262.db2.gz SOLVWCXRQMICCU-GFCCVEGCSA-N 0 0 323.393 0.627 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)nc1C ZINC000362399776 262029884 /nfs/dbraw/zinc/02/98/84/262029884.db2.gz BRXVFGWLQIIUKO-NSHDSACASA-N 0 0 304.350 0.784 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nnc(C)s1 ZINC000362469221 262038888 /nfs/dbraw/zinc/03/88/88/262038888.db2.gz WQAIDHYDBZCHJY-NKWVEPMBSA-N 0 0 314.367 0.033 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362818166 262075128 /nfs/dbraw/zinc/07/51/28/262075128.db2.gz SBAPWXRGCDIPBP-WDEREUQCSA-N 0 0 307.350 0.780 10 0 DCAERN CC(=O)c1cc(C(=O)N(C)Cc2nnnn2C)c(C)nc1C ZINC000362820074 262075352 /nfs/dbraw/zinc/07/53/52/262075352.db2.gz KDAUYPBHHJMRLR-UHFFFAOYSA-N 0 0 302.338 0.697 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000362818163 262075538 /nfs/dbraw/zinc/07/55/38/262075538.db2.gz SBAPWXRGCDIPBP-GHMZBOCLSA-N 0 0 307.350 0.780 10 0 DCAERN O=C(Cc1csc2nccn12)N1CCN2CCOC[C@@H]2C1 ZINC000363822558 262133076 /nfs/dbraw/zinc/13/30/76/262133076.db2.gz OTACBDNUQOHLAO-LBPRGKRZSA-N 0 0 306.391 0.481 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000363833749 262133362 /nfs/dbraw/zinc/13/33/62/262133362.db2.gz REYOKDLCHVGMEH-GFCCVEGCSA-N 0 0 324.402 0.247 10 0 DCAERN COc1ccccc1NCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363866008 262135020 /nfs/dbraw/zinc/13/50/20/262135020.db2.gz NZIPRQKRHBMTHA-CYBMUJFWSA-N 0 0 305.378 0.650 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCN2CCOC[C@H]2C1 ZINC000363864502 262135139 /nfs/dbraw/zinc/13/51/39/262135139.db2.gz DFSVKPZFNOKGDB-LLVKDONJSA-N 0 0 309.391 0.021 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N(C)CC(F)(F)F ZINC000374058228 262157160 /nfs/dbraw/zinc/15/71/60/262157160.db2.gz QDGZEBNUUJCLIE-IVZWLZJFSA-N 0 0 307.316 0.606 10 0 DCAERN C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000394200413 262162242 /nfs/dbraw/zinc/16/22/42/262162242.db2.gz SSBOWBUUKBOKDO-BDAKNGLRSA-N 0 0 307.803 0.998 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412070146 262180705 /nfs/dbraw/zinc/18/07/05/262180705.db2.gz JPJZBCRURZNABV-FRFSOERESA-N 0 0 323.389 0.711 10 0 DCAERN CCNC(=O)c1ccc(N2CC(CO)(c3ccccc3)C2)nn1 ZINC000413556168 262216541 /nfs/dbraw/zinc/21/65/41/262216541.db2.gz SMLPDPAPIQQKRX-UHFFFAOYSA-N 0 0 312.373 0.977 10 0 DCAERN CC(=O)CN(CC(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000420698556 262381029 /nfs/dbraw/zinc/38/10/29/262381029.db2.gz LNMHODWRCZHKCF-STQMWFEESA-N 0 0 306.428 0.887 10 0 DCAERN NC(=O)CC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000420706347 262381293 /nfs/dbraw/zinc/38/12/93/262381293.db2.gz PWQFYHKBIFOEKJ-UHFFFAOYSA-N 0 0 304.318 0.899 10 0 DCAERN COc1cccc(CCNC(=O)N2CCN(C(C)C)C(=O)C2)n1 ZINC000357136060 271045867 /nfs/dbraw/zinc/04/58/67/271045867.db2.gz YMSFOBSPSBIGMM-UHFFFAOYSA-N 0 0 320.393 0.895 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H](CO)C1CC1 ZINC000358318165 271049586 /nfs/dbraw/zinc/04/95/86/271049586.db2.gz LUUUAXUHBCNQAY-RWMBFGLXSA-N 0 0 308.378 0.296 10 0 DCAERN CCOC(=O)[C@@H](NS(=O)(=O)CCCOC)[C@H]1CCCOC1 ZINC000358499654 271052854 /nfs/dbraw/zinc/05/28/54/271052854.db2.gz LPUAFTIAIXQKJS-RYUDHWBXSA-N 0 0 323.411 0.301 10 0 DCAERN CCOC(=O)[C@H](NS(=O)(=O)CCCOC)[C@@H]1CCCOC1 ZINC000358499655 271052929 /nfs/dbraw/zinc/05/29/29/271052929.db2.gz LPUAFTIAIXQKJS-VXGBXAGGSA-N 0 0 323.411 0.301 10 0 DCAERN C[C@@]1(O)CCN(C(=O)NCCCc2nnc3ccccn32)C1 ZINC000359229627 271108036 /nfs/dbraw/zinc/10/80/36/271108036.db2.gz YKHPBPJOGYUYOK-OAHLLOKOSA-N 0 0 303.366 0.828 10 0 DCAERN NC(=O)N[C@@H](CC(=O)NC[C@@H](CO)C1CC1)c1cccs1 ZINC000359772348 271142931 /nfs/dbraw/zinc/14/29/31/271142931.db2.gz FQYGRXNNEMCQAA-QWRGUYRKSA-N 0 0 311.407 0.982 10 0 DCAERN COc1c(C)cnc(CN2CCC(S(N)(=O)=O)CC2)c1C ZINC000363451984 271191808 /nfs/dbraw/zinc/19/18/08/271191808.db2.gz ZIKKACQOPPCIOL-UHFFFAOYSA-N 0 0 313.423 0.960 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000442737131 271682474 /nfs/dbraw/zinc/68/24/74/271682474.db2.gz MVRFPVNAXWNAIE-GXFFZTMASA-N 0 0 304.412 0.342 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 ZINC000448887510 271836192 /nfs/dbraw/zinc/83/61/92/271836192.db2.gz SIVUCKQWBMCNGV-AWEZNQCLSA-N 0 0 312.373 0.962 10 0 DCAERN CN1CN(Cc2ccc(F)c(CN3CC(=O)N(C)C3)c2)CC1=O ZINC000450700451 271879574 /nfs/dbraw/zinc/87/95/74/271879574.db2.gz ZLYLKYRICZWYMM-UHFFFAOYSA-N 0 0 320.368 0.289 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2ccncc2)CC12COC2 ZINC000452249703 271912636 /nfs/dbraw/zinc/91/26/36/271912636.db2.gz BPRAFGQRSUMIMY-ZDUSSCGKSA-N 0 0 304.346 0.662 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cnn(CC)c2)CC12COC2 ZINC000452266373 271913411 /nfs/dbraw/zinc/91/34/11/271913411.db2.gz SGZHGJWZMCMBGD-GFCCVEGCSA-N 0 0 307.350 0.555 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C[C@H]1O ZINC000453974023 271934147 /nfs/dbraw/zinc/93/41/47/271934147.db2.gz YTZZCSCQZOMIIW-TZMCWYRMSA-N 0 0 320.345 0.168 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000457922854 271937436 /nfs/dbraw/zinc/93/74/36/271937436.db2.gz HWACJPBOUGVXQV-NSHDSACASA-N 0 0 322.258 0.712 10 0 DCAERN CC[C@@H]1CCCC[C@H]1OCC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458132843 271943399 /nfs/dbraw/zinc/94/33/99/271943399.db2.gz HXTPXLGFVIAJQP-MGPQQGTHSA-N 0 0 310.398 0.741 10 0 DCAERN CC[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459808666 272010684 /nfs/dbraw/zinc/01/06/84/272010684.db2.gz HQYXNVGQGVFRPK-SUMWQHHRSA-N 0 0 321.421 0.906 10 0 DCAERN CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)OC)C(=O)N1CCOCC1 ZINC000466489822 272027139 /nfs/dbraw/zinc/02/71/39/272027139.db2.gz UNYOYBYTUMACTH-SDDRHHMPSA-N 0 0 301.387 0.346 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000471691256 272030067 /nfs/dbraw/zinc/03/00/67/272030067.db2.gz AEMIFDMJZOQKFC-WDEREUQCSA-N 0 0 311.382 0.781 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC(C)(C)OC ZINC000487118973 272038207 /nfs/dbraw/zinc/03/82/07/272038207.db2.gz BLUCAUHWOFLDJR-UWVGGRQHSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC000487113325 272038299 /nfs/dbraw/zinc/03/82/99/272038299.db2.gz FUOIAYYQZZNPSU-DTWKUNHWSA-N 0 0 322.365 0.473 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1nc(C)cc1C ZINC000487165894 272039116 /nfs/dbraw/zinc/03/91/16/272039116.db2.gz ZMWSKTAMSROCGO-NWDGAFQWSA-N 0 0 324.381 0.072 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(C(N)=O)o2)[nH]n1 ZINC000487558066 272042023 /nfs/dbraw/zinc/04/20/23/272042023.db2.gz IRCFCKRJZXDYMF-QMMMGPOBSA-N 0 0 305.338 0.840 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000489475952 272062977 /nfs/dbraw/zinc/06/29/77/272062977.db2.gz KIUOFVOFUYNZBM-LBPRGKRZSA-N 0 0 305.382 0.978 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N(CCO)C1CC1 ZINC000489452806 272063111 /nfs/dbraw/zinc/06/31/11/272063111.db2.gz XHMHLFOCKARVOB-UHFFFAOYSA-N 0 0 303.366 0.828 10 0 DCAERN CC(=O)NCCNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489606306 272064519 /nfs/dbraw/zinc/06/45/19/272064519.db2.gz MXNUJOMNNKRTCD-UHFFFAOYSA-N 0 0 302.334 0.796 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC(CC)CC ZINC000491938937 272109803 /nfs/dbraw/zinc/10/98/03/272109803.db2.gz VGKAAJQOAMLHHR-NXEZZACHSA-N 0 0 301.387 0.931 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCC(C)C ZINC000492046517 272114152 /nfs/dbraw/zinc/11/41/52/272114152.db2.gz NFPHXRZETIGCLP-MNOVXSKESA-N 0 0 301.387 0.788 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC(C)(C)C ZINC000494404397 272220409 /nfs/dbraw/zinc/22/04/09/272220409.db2.gz KHFIESOUWYGNGL-UWVGGRQHSA-N 0 0 301.387 0.788 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCCCSC ZINC000495204107 272240952 /nfs/dbraw/zinc/24/09/52/272240952.db2.gz UEBZICMVJHCUKP-VHSXEESVSA-N 0 0 319.427 0.495 10 0 DCAERN COCc1nc2n(n1)C[C@@H](N1C(=O)CN(C3CCC3)C1=O)CC2 ZINC000514771680 272406868 /nfs/dbraw/zinc/40/68/68/272406868.db2.gz QDVFTHUTHMGYNC-NSHDSACASA-N 0 0 319.365 0.556 10 0 DCAERN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000519712971 272508681 /nfs/dbraw/zinc/50/86/81/272508681.db2.gz RLZOQPKXELEQDG-AAEUAGOBSA-N 0 0 307.394 0.515 10 0 DCAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNS(C)(=O)=O ZINC000526931545 272593988 /nfs/dbraw/zinc/59/39/88/272593988.db2.gz JZIIXULITKATEB-HTQZYQBOSA-N 0 0 302.318 0.725 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NC[C@H](O)[C@H]3CCCO3)ccc21 ZINC000529763329 272707826 /nfs/dbraw/zinc/70/78/26/272707826.db2.gz IJFGFWUCJHZDPU-JKSUJKDBSA-N 0 0 318.373 0.865 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)C(C)C ZINC000530067073 272724435 /nfs/dbraw/zinc/72/44/35/272724435.db2.gz GAPWFMAZBVPNAU-WUVMZXDYSA-N 0 0 300.424 0.659 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 ZINC000530411108 287747632 /nfs/dbraw/zinc/74/76/32/287747632.db2.gz ACYANOYFKXMQHB-JHJVBQTASA-N 0 0 310.398 0.799 10 0 DCAERN CCCCn1nnnc1C[S@@](=O)CC(=O)N(C)CC1CC1 ZINC000531640113 287783281 /nfs/dbraw/zinc/78/32/81/287783281.db2.gz QCORCXCWDUFPOQ-OAQYLSRUSA-N 0 0 313.427 0.590 10 0 DCAERN COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)Cc1nnnn1C ZINC000534800593 287820038 /nfs/dbraw/zinc/82/00/38/287820038.db2.gz QSLMCDGEXOBLQM-JTQLQIEISA-N 0 0 317.349 0.743 10 0 DCAERN COC(=O)COc1ccc(C(=O)NCc2ccn(C)n2)cc1 ZINC000535028884 287825207 /nfs/dbraw/zinc/82/52/07/287825207.db2.gz SAIALVYVGUGOAV-UHFFFAOYSA-N 0 0 303.318 0.902 10 0 DCAERN Cn1ccc(CNC(=O)CN2C(=O)COc3ccccc32)n1 ZINC000535029440 287825257 /nfs/dbraw/zinc/82/52/57/287825257.db2.gz OQNGRZPEHFOMPA-UHFFFAOYSA-N 0 0 300.318 0.462 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccncn2)CC12COC2 ZINC000455200469 276294198 /nfs/dbraw/zinc/29/41/98/276294198.db2.gz XYWPDWGPNQRKOG-SNVBAGLBSA-N 0 0 306.322 0.520 10 0 DCAERN O=C(C1CC1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000541835843 287927638 /nfs/dbraw/zinc/92/76/38/287927638.db2.gz LVUJAHDELZSDDR-UHFFFAOYSA-N 0 0 317.393 0.372 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC000408047845 277089801 /nfs/dbraw/zinc/08/98/01/277089801.db2.gz JHJJOYDGHNTXLZ-OUAUKWLOSA-N 0 0 306.366 0.567 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)s1 ZINC000416320913 277118151 /nfs/dbraw/zinc/11/81/51/277118151.db2.gz ZQSPUVVXVGQMHO-NXEZZACHSA-N 0 0 311.407 0.873 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@H]21 ZINC000284157431 277129087 /nfs/dbraw/zinc/12/90/87/277129087.db2.gz QSOAKLQPAWLYCO-KGLIPLIRSA-N 0 0 300.362 0.879 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000408257528 277238545 /nfs/dbraw/zinc/23/85/45/277238545.db2.gz QLSKRAKXEJPRSB-IGQOVBAYSA-N 0 0 310.442 0.883 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](O)CN1CCCC1=O ZINC000248820814 277373989 /nfs/dbraw/zinc/37/39/89/277373989.db2.gz JFMMUPUKQKJGQU-XPCVCDNBSA-N 0 0 310.394 0.243 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC(=O)N1C ZINC000282098582 287960843 /nfs/dbraw/zinc/96/08/43/287960843.db2.gz DUCQRMDYDRJFAH-BXKDBHETSA-N 0 0 319.336 0.941 10 0 DCAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCSC[C@H]1CCO ZINC000543745112 287965437 /nfs/dbraw/zinc/96/54/37/287965437.db2.gz BPFYRGIPYPNCSM-SECBINFHSA-N 0 0 308.363 0.375 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408325158 277950838 /nfs/dbraw/zinc/95/08/38/277950838.db2.gz WXYJNIOBXCEULS-VXGBXAGGSA-N 0 0 300.380 0.114 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nn1C ZINC000408054418 278011699 /nfs/dbraw/zinc/01/16/99/278011699.db2.gz ZWKXUFDCLOOWNY-NEPJUHHUSA-N 0 0 305.382 0.782 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCSC(C)(C)C2)C1 ZINC000408054370 278017969 /nfs/dbraw/zinc/01/79/69/278017969.db2.gz RNTUVIBCXRZZFW-AWEZNQCLSA-N 0 0 300.424 0.714 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000329825861 278024485 /nfs/dbraw/zinc/02/44/85/278024485.db2.gz CCAMERFEAQRVRE-OCCSQVGLSA-N 0 0 310.394 0.794 10 0 DCAERN CCc1nncn1CCNC(=O)NC[C@@H](CO)c1ccccc1 ZINC000545968834 288008527 /nfs/dbraw/zinc/00/85/27/288008527.db2.gz NNNQTCPZAKVQPP-AWEZNQCLSA-N 0 0 317.393 0.916 10 0 DCAERN O=C(N[C@H]1CCCC(F)(F)C1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546143667 288016347 /nfs/dbraw/zinc/01/63/47/288016347.db2.gz WJMOBELUDAZEDH-DTWKUNHWSA-N 0 0 316.308 0.510 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000108861733 278179186 /nfs/dbraw/zinc/17/91/86/278179186.db2.gz HEPWRHUEQDLYBD-SNVBAGLBSA-N 0 0 321.343 0.998 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000546755820 288030029 /nfs/dbraw/zinc/03/00/29/288030029.db2.gz AOGVJSILSJAADH-LLVKDONJSA-N 0 0 314.349 0.558 10 0 DCAERN C[C@@H](NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21)C(=O)N(C)C ZINC000192353171 278322093 /nfs/dbraw/zinc/32/20/93/278322093.db2.gz JQSCHDCTBDTBJF-BXUZGUMPSA-N 0 0 319.405 0.952 10 0 DCAERN C[C@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CCS1(=O)=O ZINC000124887539 278402779 /nfs/dbraw/zinc/40/27/79/278402779.db2.gz LGLRDKAJDQPOSH-CMPLNLGQSA-N 0 0 310.375 0.949 10 0 DCAERN Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000153344891 278613644 /nfs/dbraw/zinc/61/36/44/278613644.db2.gz KZKFUKQFQUPZGE-SNVBAGLBSA-N 0 0 314.297 0.636 10 0 DCAERN CCO[C@H]1C[C@](NC(=O)Cc2cncn2C)(C(=O)OC)C1(C)C ZINC000547728973 288073305 /nfs/dbraw/zinc/07/33/05/288073305.db2.gz MICVPVXPTLALSS-LRDDRELGSA-N 0 0 323.393 0.826 10 0 DCAERN CC(C)Oc1ccc(CCNC(=O)CN2CCOCC2=O)cc1 ZINC000547731854 288073527 /nfs/dbraw/zinc/07/35/27/288073527.db2.gz YEPVRDGJKDHVES-UHFFFAOYSA-N 0 0 320.389 0.991 10 0 DCAERN Cc1nc(CCNC(=O)[C@](C)(O)Cn2ccccc2=O)c(C)o1 ZINC000547736981 288074224 /nfs/dbraw/zinc/07/42/24/288074224.db2.gz ICYCCKRJQJIMGQ-MRXNPFEDSA-N 0 0 319.361 0.563 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000407978525 278833258 /nfs/dbraw/zinc/83/32/58/278833258.db2.gz ZINQKOIOYLEJQQ-VXGBXAGGSA-N 0 0 303.428 0.562 10 0 DCAERN CCC[C@@H](NC(=O)CN1CCOC[C@H]1C(N)=O)c1ccccc1 ZINC000247220291 278867409 /nfs/dbraw/zinc/86/74/09/278867409.db2.gz VWSWKBGFFFULGE-CABCVRRESA-N 0 0 319.405 0.830 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000547846011 288084618 /nfs/dbraw/zinc/08/46/18/288084618.db2.gz JMNUZCFYGMXAHG-GXTWGEPZSA-N 0 0 305.378 0.959 10 0 DCAERN CC(C)C[C@H](C)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000372073354 279084663 /nfs/dbraw/zinc/08/46/63/279084663.db2.gz MLYPLXCWAGRCRD-KBPBESRZSA-N 0 0 316.467 1.000 10 0 DCAERN Cc1nc(N[C@@H]2CCC(=O)N(C)C2)sc1S(N)(=O)=O ZINC000311993983 279101743 /nfs/dbraw/zinc/10/17/43/279101743.db2.gz WHEISJIUIUFTJY-SSDOTTSWSA-N 0 0 304.397 0.132 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(C(N)=O)nc1 ZINC000119062693 279136253 /nfs/dbraw/zinc/13/62/53/279136253.db2.gz AEBBPROZJRZHPX-LLVKDONJSA-N 0 0 315.337 0.737 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000248874227 288109522 /nfs/dbraw/zinc/10/95/22/288109522.db2.gz DYSIOHAAUQAFLS-UGFHNGPFSA-N 0 0 317.389 0.886 10 0 DCAERN CCN1CN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1=O ZINC000190519304 279433805 /nfs/dbraw/zinc/43/38/05/279433805.db2.gz SQWNROISFBQIRF-OAHLLOKOSA-N 0 0 315.373 0.608 10 0 DCAERN C[C@@H](C(=O)NCc1cccc(N2CCOCC2)n1)n1cncn1 ZINC000548501472 288148902 /nfs/dbraw/zinc/14/89/02/288148902.db2.gz ATXLXQINCDZLRY-LBPRGKRZSA-N 0 0 316.365 0.387 10 0 DCAERN O=C(CN1CCNC(=O)CC1)N1CCSc2ccccc21 ZINC000125651638 279772056 /nfs/dbraw/zinc/77/20/56/279772056.db2.gz GTROWIAVPREQOS-UHFFFAOYSA-N 0 0 305.403 0.947 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000548735687 288172045 /nfs/dbraw/zinc/17/20/45/288172045.db2.gz KFIGOEOPIGKVAS-UHFFFAOYSA-N 0 0 302.378 0.599 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cn1 ZINC000548762470 288173872 /nfs/dbraw/zinc/17/38/72/288173872.db2.gz ZYFYQNFGVVHUFH-UHFFFAOYSA-N 0 0 321.358 0.767 10 0 DCAERN Cn1cc(OCC(=O)Nc2cncnc2N2CCCC2)cn1 ZINC000548763740 288174452 /nfs/dbraw/zinc/17/44/52/288174452.db2.gz OVYQPPXEFGHTEM-UHFFFAOYSA-N 0 0 302.338 0.828 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 ZINC000548796398 288176687 /nfs/dbraw/zinc/17/66/87/288176687.db2.gz OJFQLDUIDMNFOF-ZDUSSCGKSA-N 0 0 320.393 0.564 10 0 DCAERN Cc1csc(N2CCN(C(=O)COc3cnn(C)c3)CC2)n1 ZINC000548873129 288183550 /nfs/dbraw/zinc/18/35/50/288183550.db2.gz VPQPXMKKKAFTFH-UHFFFAOYSA-N 0 0 321.406 0.913 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCN[C@@H](c2ccncc2)C1 ZINC000548885624 288184613 /nfs/dbraw/zinc/18/46/13/288184613.db2.gz KPZNJHPXHVFFCN-CYBMUJFWSA-N 0 0 308.345 0.911 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@]12CCCO2 ZINC000333959780 280049504 /nfs/dbraw/zinc/04/95/04/280049504.db2.gz KKBGDNAAJQWFLZ-MBNYWOFBSA-N 0 0 316.423 0.773 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2C[C@@H]3COC[C@H](C2)O3)s1 ZINC000549337627 288196307 /nfs/dbraw/zinc/19/63/07/288196307.db2.gz SBSFQAVNNGMECP-DTORHVGOSA-N 0 0 311.363 0.270 10 0 DCAERN O=C(c1cnc2[nH]c(=O)[nH]c2c1)N1CC[C@H](N2CCOCC2)C1 ZINC000377625878 280228518 /nfs/dbraw/zinc/22/85/18/280228518.db2.gz JRUWDIXATJBYQT-NSHDSACASA-N 0 0 317.349 0.210 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329461880 280395381 /nfs/dbraw/zinc/39/53/81/280395381.db2.gz SYCVRHIONFVILA-HFAKWTLXSA-N 0 0 309.366 0.405 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000108861730 280872317 /nfs/dbraw/zinc/87/23/17/280872317.db2.gz HEPWRHUEQDLYBD-JTQLQIEISA-N 0 0 321.343 0.998 10 0 DCAERN CC1(C)CN(C(=O)CS(C)(=O)=O)C[C@@]2(CCCOC2)O1 ZINC000408347157 281165192 /nfs/dbraw/zinc/16/51/92/281165192.db2.gz QLZQOTIZUMCTDC-CYBMUJFWSA-N 0 0 305.396 0.218 10 0 DCAERN Cc1cc(CCNC(=O)NCC2(S(C)(=O)=O)CC2)on1 ZINC000554135476 288314205 /nfs/dbraw/zinc/31/42/05/288314205.db2.gz HQERQECFAALPTA-UHFFFAOYSA-N 0 0 301.368 0.402 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cncc(Cl)c1 ZINC000407960030 281278657 /nfs/dbraw/zinc/27/86/57/281278657.db2.gz YCUMPIHWOYPHBH-UHFFFAOYSA-N 0 0 303.771 0.634 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)COc2cnn(C)c2)C12CCOCC2 ZINC000554528790 288326307 /nfs/dbraw/zinc/32/63/07/288326307.db2.gz GTDUOUIKMYCUPW-ZIAGYGMSSA-N 0 0 323.393 0.889 10 0 DCAERN Cn1cc(OCC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cn1 ZINC000554568083 288329539 /nfs/dbraw/zinc/32/95/39/288329539.db2.gz XFQKHDOUWHPQEA-GFCCVEGCSA-N 0 0 321.299 0.961 10 0 DCAERN c1ccc(-n2nnnc2CCN2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000554856343 288339817 /nfs/dbraw/zinc/33/98/17/288339817.db2.gz VQLDKLZLRLQULQ-OKILXGFUSA-N 0 0 301.350 0.304 10 0 DCAERN COCCO[C@@H]1CCCN(C(=O)c2cccc3ncnn32)C1 ZINC000554825417 288338964 /nfs/dbraw/zinc/33/89/64/288338964.db2.gz HJJABUUOAAXQLV-GFCCVEGCSA-N 0 0 304.350 0.997 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1cccnc1 ZINC000555518273 288352939 /nfs/dbraw/zinc/35/29/39/288352939.db2.gz FBMCXVWALMTPAR-RYUDHWBXSA-N 0 0 321.377 0.587 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122039772 281866717 /nfs/dbraw/zinc/86/67/17/281866717.db2.gz ZBFAXNNSPZOVPM-VXGBXAGGSA-N 0 0 316.423 0.423 10 0 DCAERN CN(C)C(=O)C1(NCc2nc(N)nc(N(C)C)n2)CCCCC1 ZINC000298028177 281900824 /nfs/dbraw/zinc/90/08/24/281900824.db2.gz BUBMIORTPMJHLK-UHFFFAOYSA-N 0 0 321.429 0.401 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000557385178 288418839 /nfs/dbraw/zinc/41/88/39/288418839.db2.gz ZUHYMSNIYMQXCO-LLVKDONJSA-N 0 0 324.344 0.670 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000562304268 288564540 /nfs/dbraw/zinc/56/45/40/288564540.db2.gz XCKSOCDDGXWBHC-CABCVRRESA-N 0 0 321.425 0.815 10 0 DCAERN Cn1cc(OCC(=O)N2CSC[C@H]2C(=O)NCC2CC2)cn1 ZINC000563255442 288654955 /nfs/dbraw/zinc/65/49/55/288654955.db2.gz HMQIKKSZEVSCOJ-LBPRGKRZSA-N 0 0 324.406 0.227 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)O)C2)cc1 ZINC000563436540 288675299 /nfs/dbraw/zinc/67/52/99/288675299.db2.gz ZWWWCOLCHKZIGO-FZMZJTMJSA-N 0 0 313.375 0.660 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccnc(N2CCCC2)n1 ZINC000265797666 289018299 /nfs/dbraw/zinc/01/82/99/289018299.db2.gz MWLBADKETLOSKA-CYBMUJFWSA-N 0 0 317.393 0.770 10 0 DCAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CC(n3ccnn3)C1)CS2 ZINC000374802088 289218508 /nfs/dbraw/zinc/21/85/08/289218508.db2.gz USABOKUMBOTEFV-ZWNOBZJWSA-N 0 0 307.379 0.115 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCCC[C@H]1c1ncon1 ZINC000408272828 289228678 /nfs/dbraw/zinc/22/86/78/289228678.db2.gz JTQOHPYMQCVWMT-JTQLQIEISA-N 0 0 316.383 0.405 10 0 DCAERN CN(CC1CC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000368464513 289561236 /nfs/dbraw/zinc/56/12/36/289561236.db2.gz FVGNBBBHZQGFAQ-OAHLLOKOSA-N 0 0 323.393 0.470 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]21 ZINC000408021106 290111629 /nfs/dbraw/zinc/11/16/29/290111629.db2.gz GWARUGHWDDTQOY-NEPJUHHUSA-N 0 0 318.439 0.131 10 0 DCAERN C[C@H](c1cccnc1)N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000172815590 290270124 /nfs/dbraw/zinc/27/01/24/290270124.db2.gz CAOVMDPJVGMHLH-CYBMUJFWSA-N 0 0 304.394 0.765 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000178789662 290561156 /nfs/dbraw/zinc/56/11/56/290561156.db2.gz GHBZCXYXZOSRJM-XQHKEYJVSA-N 0 0 307.394 0.864 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173892976 293048218 /nfs/dbraw/zinc/04/82/18/293048218.db2.gz MPGKNPDKXQMOSL-UONOGXRCSA-N 0 0 320.455 0.538 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1ccnc3[nH]c(C)nc31)CC2 ZINC000367201105 293553401 /nfs/dbraw/zinc/55/34/01/293553401.db2.gz RJHQVQLQSJNTCX-SNVBAGLBSA-N 0 0 311.349 0.911 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCC[C@@H]3C)[C@H]2C1 ZINC000185092269 293784315 /nfs/dbraw/zinc/78/43/15/293784315.db2.gz KSIUXRUKXWBKSQ-CRWXNKLISA-N 0 0 318.439 0.984 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)[C@@H](C)CO1 ZINC000408088514 297042670 /nfs/dbraw/zinc/04/26/70/297042670.db2.gz JJENJQSIPZYURT-WDEREUQCSA-N 0 0 319.427 0.070 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000328989322 293910304 /nfs/dbraw/zinc/91/03/04/293910304.db2.gz CQNJJGNOTWXPPT-RNJOBUHISA-N 0 0 308.382 0.919 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@H]2CCO)[C@H](C)CO1 ZINC000408059083 297053041 /nfs/dbraw/zinc/05/30/41/297053041.db2.gz FZGUQVQDRBTDEF-IJLUTSLNSA-N 0 0 324.468 0.140 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@@H]2CCO)C[C@H](C)O1 ZINC000408008742 297053060 /nfs/dbraw/zinc/05/30/60/297053060.db2.gz FWYFLVIMIRUOBE-TUAOUCFPSA-N 0 0 324.468 0.140 10 0 DCAERN Cn1c(CN2CCCN(C)C(=O)C2)nc2ccccc2c1=O ZINC000191089120 294154114 /nfs/dbraw/zinc/15/41/14/294154114.db2.gz FDSSSVYOBIVIIW-UHFFFAOYSA-N 0 0 300.362 0.598 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000408305350 294209578 /nfs/dbraw/zinc/20/95/78/294209578.db2.gz JDSBSGVKTAJPDX-NSHDSACASA-N 0 0 321.255 0.015 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000181357223 294282999 /nfs/dbraw/zinc/28/29/99/294282999.db2.gz RVYODGULAZBDBR-ZDUSSCGKSA-N 0 0 314.345 0.936 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000172604772 294297319 /nfs/dbraw/zinc/29/73/19/294297319.db2.gz UILUBACXDWWMMB-CHWSQXEVSA-N 0 0 315.381 0.873 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)ccc1=O ZINC000408308020 294504153 /nfs/dbraw/zinc/50/41/53/294504153.db2.gz UKJCKMQTOJOERD-NSHDSACASA-N 0 0 305.256 0.310 10 0 DCAERN CO[C@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)C1 ZINC000408344854 294545253 /nfs/dbraw/zinc/54/52/53/294545253.db2.gz BJNVXVJLPSUPQF-YDHLFZDLSA-N 0 0 320.393 0.577 10 0 DCAERN Nc1ccc2c(c1)N(S(=O)(=O)N1CCOCC1)CCS2 ZINC000038051318 295360023 /nfs/dbraw/zinc/36/00/23/295360023.db2.gz WEPRKEYRCICMCT-UHFFFAOYSA-N 0 0 315.420 0.758 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000176868214 295482264 /nfs/dbraw/zinc/48/22/64/295482264.db2.gz UAQGPBXRBDQBBP-ONXXMXGDSA-N 0 0 315.435 0.821 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1=O ZINC000374731860 297307067 /nfs/dbraw/zinc/30/70/67/297307067.db2.gz MNSBMKRRQRJCNW-RHYQMDGZSA-N 0 0 322.409 0.352 10 0 DCAERN C[C@@H]1[C@H](C)N(S(=O)(=O)CC(F)(F)F)CCS1(=O)=O ZINC000408306167 297761150 /nfs/dbraw/zinc/76/11/50/297761150.db2.gz BLFUGRIBOOYSTE-NKWVEPMBSA-N 0 0 309.331 0.386 10 0 DCAERN C[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000408151473 298044837 /nfs/dbraw/zinc/04/48/37/298044837.db2.gz QOBNUTZAWPOXGT-MFKMUULPSA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1C(N)=O)n1cnc2ccccc21 ZINC000091810837 298058587 /nfs/dbraw/zinc/05/85/87/298058587.db2.gz CAKMFBUYCVKNFG-ZWNOBZJWSA-N 0 0 302.334 0.310 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)N1CCOCC1 ZINC000329525670 298061935 /nfs/dbraw/zinc/06/19/35/298061935.db2.gz RCOJLFILRYMOMQ-ILXRZTDVSA-N 0 0 324.421 0.694 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(CC(C)(C)O)C2CC2)C[C@H](C)O1 ZINC000188044607 300279995 /nfs/dbraw/zinc/27/99/95/300279995.db2.gz ZQBVGUCDIXQGLW-QWRGUYRKSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CC[S@@](=O)C[C@H](C)C2)C[C@H](C)O1 ZINC000333499390 300283669 /nfs/dbraw/zinc/28/36/69/300283669.db2.gz WACDASIAZQEBTC-FCOUNWEESA-N 0 0 324.468 0.041 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2(CC(N)=O)CCC2)C1 ZINC000408437080 300483956 /nfs/dbraw/zinc/48/39/56/300483956.db2.gz OQJGKYIAQLSJLL-QWRGUYRKSA-N 0 0 303.428 0.597 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1C ZINC000265276736 300897163 /nfs/dbraw/zinc/89/71/63/300897163.db2.gz XBJKRHPRDMDHLB-NSHDSACASA-N 0 0 314.411 0.570 10 0 DCAERN O=S(=O)(C1CC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000126756206 304728081 /nfs/dbraw/zinc/72/80/81/304728081.db2.gz ZLLUMBWUXMVWJU-ZYHUDNBSSA-N 0 0 301.364 0.896 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)on1 ZINC000177241671 301349091 /nfs/dbraw/zinc/34/90/91/301349091.db2.gz JSACFHDYYHAXPK-DGCLKSJQSA-N 0 0 308.382 0.574 10 0 DCAERN Cc1ccn2ncc(C(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)c2n1 ZINC000072565362 302264319 /nfs/dbraw/zinc/26/43/19/302264319.db2.gz KAYZGFYYRNLMEG-QWRGUYRKSA-N 0 0 301.350 0.764 10 0 DCAERN Cc1nc2ccc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)cc2o1 ZINC000285620630 302662358 /nfs/dbraw/zinc/66/23/58/302662358.db2.gz VNWZAIPACITTMP-OQPBUACISA-N 0 0 303.318 0.851 10 0 DCAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(N)cc2)n1 ZINC000186349349 302852797 /nfs/dbraw/zinc/85/27/97/302852797.db2.gz XDLGHVRJPSAECM-LBPRGKRZSA-N 0 0 324.362 0.722 10 0 DCAERN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000193721411 303317674 /nfs/dbraw/zinc/31/76/74/303317674.db2.gz HKIFFCXEDGEFRE-KGLIPLIRSA-N 0 0 315.373 0.484 10 0 DCAERN O=C(CN1CCCCC1=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408309161 303605380 /nfs/dbraw/zinc/60/53/80/303605380.db2.gz XGUGMCHAZOTAGQ-LBPRGKRZSA-N 0 0 308.300 0.915 10 0 DCAERN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000332751341 303943019 /nfs/dbraw/zinc/94/30/19/303943019.db2.gz CCMUSSYZOSRWSR-DUVNUKRYSA-N 0 0 307.394 0.866 10 0 DCAERN O=C(CCn1ccnn1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000583388541 332380924 /nfs/dbraw/zinc/38/09/24/332380924.db2.gz MYNWENFEOHOHAF-OAHLLOKOSA-N 0 0 316.361 0.975 10 0 DCAERN NC(=O)c1coc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000187860975 332991564 /nfs/dbraw/zinc/99/15/64/332991564.db2.gz FWKCGISXUBMKCF-SNVBAGLBSA-N 0 0 319.361 0.786 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCO[C@H](COc2ccccc2)C1 ZINC000583059551 337234158 /nfs/dbraw/zinc/23/41/58/337234158.db2.gz QQPNXQKUXPAAIQ-HIFRSBDPSA-N 0 0 318.373 0.819 10 0 DCAERN O=C(c1cnc2cncc(Br)c2n1)N1CC[C@@H](O)C1 ZINC000584605342 337371417 /nfs/dbraw/zinc/37/14/17/337371417.db2.gz PNKFIIDPXYKNMU-SSDOTTSWSA-N 0 0 323.150 0.994 10 0 DCAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)C(=O)N1CCOCC2(CC2)C1 ZINC000583893649 337384480 /nfs/dbraw/zinc/38/44/80/337384480.db2.gz IOFNWNFTFVKSNC-ZIAGYGMSSA-N 0 0 322.405 0.699 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NCc2ccc(C3CC3)cc2)c1=O ZINC000191192707 337672628 /nfs/dbraw/zinc/67/26/28/337672628.db2.gz YUSFLKZTOBKDBE-UHFFFAOYSA-N 0 0 313.357 0.741 10 0 DCAERN CCN1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC1=O ZINC000192196511 341791625 /nfs/dbraw/zinc/79/16/25/341791625.db2.gz FQKJZVXDELUDND-UHFFFAOYSA-N 0 0 300.322 0.921 10 0 DCAERN COC(=O)[C@@H](NC(=O)Cn1nnnc1C(C)C)c1ccccc1 ZINC000173360065 341815174 /nfs/dbraw/zinc/81/51/74/341815174.db2.gz YBXXXCLQLYBBNA-ZDUSSCGKSA-N 0 0 317.349 0.827 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)CC1CCOCC1 ZINC000173042613 533737447 /nfs/dbraw/zinc/73/74/47/533737447.db2.gz KAZZJMSZZXCECX-JQWIXIFHSA-N 0 0 304.412 0.329 10 0 DCAERN C/C=C/C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000185273805 518541871 /nfs/dbraw/zinc/54/18/71/518541871.db2.gz OQBHJLTUGHLFLB-AAOUONPWSA-N 0 0 312.391 0.652 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000366319636 519634574 /nfs/dbraw/zinc/63/45/74/519634574.db2.gz TXVQFYXVDLXLBI-QKCSRTOESA-N 0 0 314.407 0.314 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cccnc1-n1cncn1 ZINC000364456935 519635017 /nfs/dbraw/zinc/63/50/17/519635017.db2.gz JAJQGEVMQBUWLX-NSHDSACASA-N 0 0 318.362 0.522 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(C)ccc2Cl)C1 ZINC000191347282 519646884 /nfs/dbraw/zinc/64/68/84/519646884.db2.gz DZWNZGVHFJOAFC-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000190487947 519648747 /nfs/dbraw/zinc/64/87/47/519648747.db2.gz YQFCDVUAWQGNAN-UHFFFAOYSA-N 0 0 302.309 0.972 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NC(=O)c2cnn3c2CCCC3)C1=O ZINC000128242782 519666168 /nfs/dbraw/zinc/66/61/68/519666168.db2.gz BJGDIHHQGBDXFS-LLVKDONJSA-N 0 0 304.350 0.485 10 0 DCAERN CC(C)NC(=O)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151616919 519707750 /nfs/dbraw/zinc/70/77/50/519707750.db2.gz LSEISFMFUAWRAY-UHFFFAOYSA-N 0 0 321.303 0.763 10 0 DCAERN CCCN1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1=O ZINC000190181077 519849813 /nfs/dbraw/zinc/84/98/13/519849813.db2.gz ONQFFCVAVFJINR-GFCCVEGCSA-N 0 0 320.397 0.247 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@H]2C(N)=O)n1 ZINC000158168299 519874973 /nfs/dbraw/zinc/87/49/73/519874973.db2.gz NOEOJQOOBBFYQC-VIFPVBQESA-N 0 0 312.757 0.580 10 0 DCAERN CCNC(=O)c1cccc(CNC(=O)N2CC(NC(C)=O)C2)c1 ZINC000189860547 519898110 /nfs/dbraw/zinc/89/81/10/519898110.db2.gz CEBPUPJFAYURSF-UHFFFAOYSA-N 0 0 318.377 0.466 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000188439920 520198932 /nfs/dbraw/zinc/19/89/32/520198932.db2.gz HAWURTJCAANRHU-SECBINFHSA-N 0 0 318.370 0.979 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000112982354 520540971 /nfs/dbraw/zinc/54/09/71/520540971.db2.gz ACJYUTMGWAJPEX-CYBMUJFWSA-N 0 0 317.393 0.855 10 0 DCAERN CCN(CCc1nccs1)C(=O)NCCN1C(=O)CCC1=O ZINC000118957516 521176225 /nfs/dbraw/zinc/17/62/25/521176225.db2.gz PFVAEUMLKNSHLY-UHFFFAOYSA-N 0 0 324.406 0.866 10 0 DCAERN CCOc1cccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000116832533 521321430 /nfs/dbraw/zinc/32/14/30/521321430.db2.gz USIRCFSMPQUDBL-LBPRGKRZSA-N 0 0 312.391 0.849 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000130132211 521669878 /nfs/dbraw/zinc/66/98/78/521669878.db2.gz YGSZEADSJOXFKX-SNVBAGLBSA-N 0 0 318.420 0.587 10 0 DCAERN CCc1cnc(NC(=O)C(=O)NCCCN2CCCC2=O)s1 ZINC000192447976 522044701 /nfs/dbraw/zinc/04/47/01/522044701.db2.gz QMFSDOWPAAXQTB-UHFFFAOYSA-N 0 0 324.406 0.773 10 0 DCAERN COCCn1c(C)cc(C(=O)CN2CCNC(=O)CC2)c1C ZINC000131390184 522061738 /nfs/dbraw/zinc/06/17/38/522061738.db2.gz TXTIGPXTDSOTLO-UHFFFAOYSA-N 0 0 307.394 0.756 10 0 DCAERN Cc1cnc([C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)s1 ZINC000177944366 534609335 /nfs/dbraw/zinc/60/93/35/534609335.db2.gz CPHULZXSWNNSOK-MRVPVSSYSA-N 0 0 310.379 0.959 10 0 DCAERN COCCn1ccc(C(=O)N2CCN(CCOC)[C@H](C)C2)n1 ZINC000189826580 522121992 /nfs/dbraw/zinc/12/19/92/522121992.db2.gz QSPIAMNEHTXIJJ-CYBMUJFWSA-N 0 0 310.398 0.322 10 0 DCAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccco3)CCO2)[nH]1 ZINC000188730364 522140313 /nfs/dbraw/zinc/14/03/13/522140313.db2.gz ZRNIXDORFBCKHY-SECBINFHSA-N 0 0 312.351 0.722 10 0 DCAERN CNS(=O)(=O)CCNC(=O)CSc1ccccc1C ZINC000188921163 522194924 /nfs/dbraw/zinc/19/49/24/522194924.db2.gz YEUMBGYPNJUPNL-UHFFFAOYSA-N 0 0 302.421 0.753 10 0 DCAERN CC[C@@H](C)OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000131607997 522246919 /nfs/dbraw/zinc/24/69/19/522246919.db2.gz UMBWCHIULDGQOD-SNVBAGLBSA-N 0 0 300.380 0.765 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000132412445 522315560 /nfs/dbraw/zinc/31/55/60/522315560.db2.gz CHFPSBCSJZUHQA-HTQZYQBOSA-N 0 0 306.409 0.403 10 0 DCAERN COc1cc(CCC(=O)N2CC(NC(C)=O)C2)cc(OC)c1 ZINC000190511876 522323338 /nfs/dbraw/zinc/32/33/38/522323338.db2.gz HWOBEAGAZKBMQA-UHFFFAOYSA-N 0 0 306.362 0.983 10 0 DCAERN COC[C@H](C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000130199032 522550335 /nfs/dbraw/zinc/55/03/35/522550335.db2.gz QMGAHAFKHRQTNT-JTQLQIEISA-N 0 0 320.436 0.767 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCCc2ccccc2)C1 ZINC000188156622 522757765 /nfs/dbraw/zinc/75/77/65/522757765.db2.gz XPXRAUMXRUDMBL-UHFFFAOYSA-N 0 0 305.378 0.776 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccncc2C)CC1 ZINC000188307862 522995492 /nfs/dbraw/zinc/99/54/92/522995492.db2.gz ZVMDUYVLIYYOOO-OAHLLOKOSA-N 0 0 306.410 0.988 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000130892346 523405525 /nfs/dbraw/zinc/40/55/25/523405525.db2.gz CXMXHCNVMQUSOL-LLVKDONJSA-N 0 0 320.271 0.367 10 0 DCAERN CCn1cc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)cn1 ZINC000191797170 523466336 /nfs/dbraw/zinc/46/63/36/523466336.db2.gz DPJRGNBZTLLUHV-AWEZNQCLSA-N 0 0 316.361 0.815 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)NCc1cccnc1 ZINC000191167572 523809941 /nfs/dbraw/zinc/80/99/41/523809941.db2.gz RXSFSLLTNZOVFM-FMKPAKJESA-N 0 0 317.389 0.971 10 0 DCAERN COCCNC(=O)CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000188913914 523896895 /nfs/dbraw/zinc/89/68/95/523896895.db2.gz TZHCHJNRJXOGMZ-UHFFFAOYSA-N 0 0 305.334 0.669 10 0 DCAERN COCCOCCCCNS(=O)(=O)c1ccccc1N ZINC000158268270 523991675 /nfs/dbraw/zinc/99/16/75/523991675.db2.gz RNOZSUDTORREPT-UHFFFAOYSA-N 0 0 302.396 0.990 10 0 DCAERN COC(=O)[C@H]1[C@H](O)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000189573837 523998297 /nfs/dbraw/zinc/99/82/97/523998297.db2.gz OKAKSBDFXZAJNX-HUUCEWRRSA-N 0 0 316.361 0.766 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H](O)Cc2ccccc2)CCC1=O ZINC000128686935 524024004 /nfs/dbraw/zinc/02/40/04/524024004.db2.gz STIWBYWZPIDFSA-KGLIPLIRSA-N 0 0 305.378 0.510 10 0 DCAERN CNC(=O)C1CN(C(=O)Nc2ccc(-c3ncon3)cc2)C1 ZINC000185302665 524051263 /nfs/dbraw/zinc/05/12/63/524051263.db2.gz OHOSQIOTOLOPDU-UHFFFAOYSA-N 0 0 301.306 0.946 10 0 DCAERN Cc1ccc2ncnc(N3CCN(C(=O)[C@@H](C)O)CC3)c2c1 ZINC000270842237 524084627 /nfs/dbraw/zinc/08/46/27/524084627.db2.gz WRKIIKZPDFRSAR-GFCCVEGCSA-N 0 0 300.362 0.968 10 0 DCAERN CC(=O)N1CCN(CCNCc2nn(C)c(C)c2Cl)CC1 ZINC000421333149 534791913 /nfs/dbraw/zinc/79/19/13/534791913.db2.gz NHULUPOMSHRYAU-UHFFFAOYSA-N 0 0 313.833 0.636 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187977540 524570164 /nfs/dbraw/zinc/57/01/64/524570164.db2.gz ANOAXPXBEVNDDO-UHFFFAOYSA-N 0 0 301.346 0.671 10 0 DCAERN C[C@@H](CNC(=O)N1CCN(C2CC2)CC1)CN1CCOCC1 ZINC000163552328 524666733 /nfs/dbraw/zinc/66/67/33/524666733.db2.gz PXSURWVSXSTYEI-AWEZNQCLSA-N 0 0 310.442 0.444 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000158350848 524967490 /nfs/dbraw/zinc/96/74/90/524967490.db2.gz LAWXQQWCKNFKKH-JQWIXIFHSA-N 0 0 306.370 0.119 10 0 DCAERN C[C@H]1Sc2ccc(C(=O)N3CCO[C@H](CO)C3)cc2NC1=O ZINC000269121707 525075280 /nfs/dbraw/zinc/07/52/80/525075280.db2.gz HTFFKLDTYNMQDW-KOLCDFICSA-N 0 0 322.386 0.953 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000155343258 525207038 /nfs/dbraw/zinc/20/70/38/525207038.db2.gz ALWBJMCMEYAHNK-SNVBAGLBSA-N 0 0 315.395 0.819 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187979678 525226875 /nfs/dbraw/zinc/22/68/75/525226875.db2.gz WDEITZUCKOMVBN-UHFFFAOYSA-N 0 0 301.346 0.671 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](O)Cc2ccccc2)CC1=O ZINC000366376411 525319268 /nfs/dbraw/zinc/31/92/68/525319268.db2.gz HIBINZWNJURJEO-RZFFKMDDSA-N 0 0 302.374 0.716 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188501424 525355148 /nfs/dbraw/zinc/35/51/48/525355148.db2.gz DXHXEQIEPWTDMP-SNVBAGLBSA-N 0 0 319.361 0.525 10 0 DCAERN Cc1cnc(CCN(C)Cc2nc(N)nc(N(C)C)n2)s1 ZINC000157842974 525995799 /nfs/dbraw/zinc/99/57/99/525995799.db2.gz DUVCRQTWNVJUOL-UHFFFAOYSA-N 0 0 307.427 0.959 10 0 DCAERN COc1cccc(Cl)c1CC(=O)NCCS(N)(=O)=O ZINC000158974721 526093016 /nfs/dbraw/zinc/09/30/16/526093016.db2.gz YQCSMTAVPQDBSC-UHFFFAOYSA-N 0 0 306.771 0.296 10 0 DCAERN Cc1cnn(CCNC(=O)NCCCCCS(C)(=O)=O)c1 ZINC000188044672 526262526 /nfs/dbraw/zinc/26/25/26/526262526.db2.gz RFFOWCLRTJSAQF-UHFFFAOYSA-N 0 0 316.427 0.706 10 0 DCAERN O=C(NCCOCC(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000190280358 526350071 /nfs/dbraw/zinc/35/00/71/526350071.db2.gz UMEQQJVBROIKLP-JTQLQIEISA-N 0 0 303.313 0.906 10 0 DCAERN O=C(NCCc1ccccc1Cl)C1CC2(C1)NC(=O)NC2=O ZINC000156121828 526427972 /nfs/dbraw/zinc/42/79/72/526427972.db2.gz ZZYWSAQYKHFLDM-UHFFFAOYSA-N 0 0 321.764 0.987 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(=O)[nH]c1C ZINC000156495998 526640304 /nfs/dbraw/zinc/64/03/04/526640304.db2.gz YSGSOCRVTLMTSE-CYBMUJFWSA-N 0 0 320.393 0.324 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CCO)C1CCOCC1 ZINC000330916314 526678360 /nfs/dbraw/zinc/67/83/60/526678360.db2.gz ZSOGNYHHLGYBOG-QWHCGFSZSA-N 0 0 316.423 0.202 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCO[C@@H](CO)C1 ZINC000167508485 526726599 /nfs/dbraw/zinc/72/65/99/526726599.db2.gz JMMFAZOVNZSVJL-SNVBAGLBSA-N 0 0 308.359 0.564 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CCN(c2cccnn2)CC1 ZINC000126555866 526890871 /nfs/dbraw/zinc/89/08/71/526890871.db2.gz KBLVMPAALDVFHK-UHFFFAOYSA-N 0 0 312.377 0.972 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)NC[C@H]2CN3CCN2CC3)n1 ZINC000178730775 526900979 /nfs/dbraw/zinc/90/09/79/526900979.db2.gz KHSICHFBLIYRMX-LBPRGKRZSA-N 0 0 321.425 0.416 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246991359 526959177 /nfs/dbraw/zinc/95/91/77/526959177.db2.gz PGJIUQXTBRMIEI-WOSRLPQWSA-N 0 0 319.409 0.930 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@H](O)c1ccc(F)cc1Cl ZINC000187394495 527014043 /nfs/dbraw/zinc/01/40/43/527014043.db2.gz VPLQIDKPUUSSSJ-NEPJUHHUSA-N 0 0 302.733 0.699 10 0 DCAERN O=C(CSC[C@H](O)CO)N1CCC[C@H](C(F)(F)F)C1 ZINC000177420841 527020159 /nfs/dbraw/zinc/02/01/59/527020159.db2.gz KBOCKPNSWACFDA-DTWKUNHWSA-N 0 0 301.330 0.874 10 0 DCAERN O=C(CSc1nnnn1C1CC1)N1C[C@@H](F)C[C@@H]1CO ZINC000364610434 527093910 /nfs/dbraw/zinc/09/39/10/527093910.db2.gz JTQZHRMKSYIUJG-IONNQARKSA-N 0 0 301.347 0.031 10 0 DCAERN NC(=O)c1csc(CN2CCN(c3cccnn3)CC2)c1 ZINC000128000735 527100208 /nfs/dbraw/zinc/10/02/08/527100208.db2.gz ZPXUJYHPVZFZIW-UHFFFAOYSA-N 0 0 303.391 0.959 10 0 DCAERN O=S(=O)(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)N1CCC1 ZINC000375713872 527224473 /nfs/dbraw/zinc/22/44/73/527224473.db2.gz HCVSTRVFZJYFAO-RYUDHWBXSA-N 0 0 304.412 0.094 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2COc3ccccc3C2)C1)C1CC1 ZINC000190311246 527541632 /nfs/dbraw/zinc/54/16/32/527541632.db2.gz ZRBKZASSYKTXAG-CYBMUJFWSA-N 0 0 315.373 0.910 10 0 DCAERN Nc1nc(N)nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 ZINC000121108909 527555026 /nfs/dbraw/zinc/55/50/26/527555026.db2.gz CZPOQKGRYVFACW-KCJUWKMLSA-N 0 0 322.319 0.622 10 0 DCAERN CCC1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCC1 ZINC000177389253 527716582 /nfs/dbraw/zinc/71/65/82/527716582.db2.gz IVNACWIDQOBJIL-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CCOC(=O)[C@H](C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000175189211 527945878 /nfs/dbraw/zinc/94/58/78/527945878.db2.gz IYGXQWOXNXDXGV-LLVKDONJSA-N 0 0 317.345 0.712 10 0 DCAERN CCC[C@H](C)CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000179677694 528032804 /nfs/dbraw/zinc/03/28/04/528032804.db2.gz OVDSBHPGWLALNW-AWEZNQCLSA-N 0 0 319.471 0.617 10 0 DCAERN CC(C)[C@H](C)NC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176576719 528966032 /nfs/dbraw/zinc/96/60/32/528966032.db2.gz JSEKBOBWVYRIBX-FVINQWEUSA-N 0 0 301.416 0.663 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000195178841 528978137 /nfs/dbraw/zinc/97/81/37/528978137.db2.gz UPMGHUUNPPYBSB-WOPDTQHZSA-N 0 0 312.414 0.505 10 0 DCAERN CCCc1cc(N2C[C@@H](OC)C[C@H]2C(N)=O)n2ncnc2n1 ZINC000284658550 535400413 /nfs/dbraw/zinc/40/04/13/535400413.db2.gz VUOANKULZSVAFV-QWRGUYRKSA-N 0 0 304.354 0.156 10 0 DCAERN CCO[C@H]1C[C@](O)(CNc2ccc(C(=O)NC)nn2)C1(C)C ZINC000276810914 535650820 /nfs/dbraw/zinc/65/08/20/535650820.db2.gz CHPSWIVFPLYESY-NHYWBVRUSA-N 0 0 308.382 0.814 10 0 DCAERN CN(CCC(=O)c1ccc2c(c1)OCCO2)Cc1nnnn1C ZINC000488194503 536314026 /nfs/dbraw/zinc/31/40/26/536314026.db2.gz DCWMLUBMTUVTFC-UHFFFAOYSA-N 0 0 317.349 0.686 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(C)cc(C(=O)OC)c2)CCO1 ZINC000457694628 536367760 /nfs/dbraw/zinc/36/77/60/536367760.db2.gz IUVSGWBOHXFHIE-ZDUSSCGKSA-N 0 0 320.345 0.369 10 0 DCAERN COC(=O)c1ccc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc1OC ZINC000284695125 536737170 /nfs/dbraw/zinc/73/71/70/536737170.db2.gz ZGYJMODPBGSQBE-MNOVXSKESA-N 0 0 320.349 0.479 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCOC[C@@H]2C(=O)OC)c1 ZINC000457608266 536879767 /nfs/dbraw/zinc/87/97/67/536879767.db2.gz IZXKNBYXBMFAPM-CYBMUJFWSA-N 0 0 321.329 0.796 10 0 DCAERN COC(=O)CC(=O)NC[C@H]1Cc2cc(C(=O)OC)ccc2O1 ZINC000022314849 545643312 /nfs/dbraw/zinc/64/33/12/545643312.db2.gz SOEKIJUOHRNNDY-LLVKDONJSA-N 0 0 307.302 0.456 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CCO)C2)C[C@H](C)O1 ZINC000051894749 545654722 /nfs/dbraw/zinc/65/47/22/545654722.db2.gz MSVXRXCVSOVLFZ-FRRDWIJNSA-N 0 0 306.428 0.435 10 0 DCAERN COCCCNC(=O)N(C)[C@H]1CCN(c2nccnc2OC)C1 ZINC000065269022 545659592 /nfs/dbraw/zinc/65/95/92/545659592.db2.gz FRXRVLPZRFMOOE-LBPRGKRZSA-N 0 0 323.397 0.742 10 0 DCAERN CC(=O)NCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000075241371 545672961 /nfs/dbraw/zinc/67/29/61/545672961.db2.gz QSFHDFXCLNGUQE-JTQLQIEISA-N 0 0 317.345 0.314 10 0 DCAERN COc1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1NC(C)=O ZINC000135608107 545805160 /nfs/dbraw/zinc/80/51/60/545805160.db2.gz QZLDDOYPSOXIBT-VIFPVBQESA-N 0 0 316.379 0.655 10 0 DCAERN COC1(CNC(=O)[C@@H](C)NC(=O)c2ccco2)CCOCC1 ZINC000151692226 545818334 /nfs/dbraw/zinc/81/83/34/545818334.db2.gz FCBUTKDMSAPRDJ-LLVKDONJSA-N 0 0 310.350 0.710 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172240776 545881979 /nfs/dbraw/zinc/88/19/79/545881979.db2.gz UWKXQCIKIKVAQZ-MQYQWHSLSA-N 0 0 303.362 0.702 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)s1 ZINC000176807050 545889151 /nfs/dbraw/zinc/88/91/51/545889151.db2.gz QIXOVZQJRMGVNS-JTQLQIEISA-N 0 0 321.402 0.877 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000177936098 545893103 /nfs/dbraw/zinc/89/31/03/545893103.db2.gz XBRMALXAHGHPEE-WCQYABFASA-N 0 0 304.412 0.079 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cnc2c(cnn2C)c1OC)C(C)C ZINC000183173355 545907235 /nfs/dbraw/zinc/90/72/35/545907235.db2.gz UHOFIBDPQMEIQX-LLVKDONJSA-N 0 0 319.365 0.477 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2coc(Br)c2)C1 ZINC000185286995 545911619 /nfs/dbraw/zinc/91/16/19/545911619.db2.gz XVTGZSXOZGMKLE-UHFFFAOYSA-N 0 0 317.139 0.629 10 0 DCAERN CCc1cccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000195005610 545933651 /nfs/dbraw/zinc/93/36/51/545933651.db2.gz KOELBJRSXSIVSV-KRWDZBQOSA-N 0 0 315.373 0.992 10 0 DCAERN COCCN(C(=O)c1ccn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000195244389 545934014 /nfs/dbraw/zinc/93/40/14/545934014.db2.gz NFMTUGJCRHGTIN-GFCCVEGCSA-N 0 0 314.407 0.609 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@@H]1C ZINC000245971496 545962559 /nfs/dbraw/zinc/96/25/59/545962559.db2.gz ARXJNUPFMUKNLR-UONOGXRCSA-N 0 0 320.455 0.538 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)cn1 ZINC000249551258 545972072 /nfs/dbraw/zinc/97/20/72/545972072.db2.gz HZTMANDWWUXFCO-QWHCGFSZSA-N 0 0 322.409 0.793 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2coc(Br)c2)C1 ZINC000284721964 546000967 /nfs/dbraw/zinc/00/09/67/546000967.db2.gz ZXPYGHBYRPUIKE-YUMQZZPRSA-N 0 0 317.139 0.757 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000305723837 546019929 /nfs/dbraw/zinc/01/99/29/546019929.db2.gz KUBJSXDFZCCCQE-GFCCVEGCSA-N 0 0 320.364 0.909 10 0 DCAERN NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000312258992 546022525 /nfs/dbraw/zinc/02/25/25/546022525.db2.gz GUMUBVHLHRYYLM-NSHDSACASA-N 0 0 322.745 0.090 10 0 DCAERN Cc1nc(C)c(Br)c(N2CC[C@](O)(C(N)=O)C2)n1 ZINC000323126156 546035761 /nfs/dbraw/zinc/03/57/61/546035761.db2.gz UYWIOSVEIDJXAX-LLVKDONJSA-N 0 0 315.171 0.282 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000332715115 546058227 /nfs/dbraw/zinc/05/82/27/546058227.db2.gz GXBXGFZQMNYDSM-SIVJFFJCSA-N 0 0 323.393 0.781 10 0 DCAERN CN(C)c1nccc(CNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)n1 ZINC000332854703 546063938 /nfs/dbraw/zinc/06/39/38/546063938.db2.gz QDAVPHZUHKIKLV-RAIGVLPGSA-N 0 0 306.366 0.210 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CCC2CCCC2)CC1 ZINC000333474783 546082163 /nfs/dbraw/zinc/08/21/63/546082163.db2.gz WVLSVOYNBWAQFP-CYBMUJFWSA-N 0 0 304.456 0.895 10 0 DCAERN C[C@H]([C@H](C)O)n1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000530798804 546288425 /nfs/dbraw/zinc/28/84/25/546288425.db2.gz MXRABYPWVINIAC-ZJUUUORDSA-N 0 0 315.333 0.454 10 0 DCAERN CN1Cc2ccccc2[C@H](NC(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC000534995462 546290786 /nfs/dbraw/zinc/29/07/86/546290786.db2.gz SIRKVVATNLWTAI-GXTWGEPZSA-N 0 0 317.393 0.625 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000671430980 547210229 /nfs/dbraw/zinc/21/02/29/547210229.db2.gz AIPOOHFWXHCENS-CQSZACIVSA-N 0 0 322.390 0.412 10 0 DCAERN N[C@]1(c2ncc(Br)cn2)CCCS(=O)(=O)C1 ZINC000675074549 547658970 /nfs/dbraw/zinc/65/89/70/547658970.db2.gz ZNBPPCSCIZIOOC-SECBINFHSA-N 0 0 306.185 0.602 10 0 DCAERN CCS(=O)(=O)N[C@H]1CCN(Cc2cnc(N)s2)C[C@@H]1C ZINC000725272988 548749949 /nfs/dbraw/zinc/74/99/49/548749949.db2.gz WXGAIUOCOZNYPJ-ONGXEEELSA-N 0 0 318.468 0.875 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000178499532 660878002 /nfs/dbraw/zinc/87/80/02/660878002.db2.gz BCXGGDWRNMOAIL-LBPRGKRZSA-N 0 0 314.411 0.727 10 0 DCAERN Cc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(C)n1C ZINC000888093758 661157786 /nfs/dbraw/zinc/15/77/86/661157786.db2.gz QZQJKPDTFQACBY-LSDHHAIUSA-N 0 0 318.377 0.952 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000888095373 661165881 /nfs/dbraw/zinc/16/58/81/661165881.db2.gz YZESPMGQMNYJJS-SNVBAGLBSA-N 0 0 316.365 0.530 10 0 DCAERN CN(C)c1nc([C@@H]2CCN(c3nccc(CO)n3)C2)cc(=O)[nH]1 ZINC000888099202 661178148 /nfs/dbraw/zinc/17/81/48/661178148.db2.gz UMVBUKKHVHMKBR-SNVBAGLBSA-N 0 0 316.365 0.524 10 0 DCAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444244 661262519 /nfs/dbraw/zinc/26/25/19/661262519.db2.gz MOXLEWXTNLGGSQ-WDEREUQCSA-N 0 0 311.411 0.306 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1nnc(C)s1 ZINC000353197818 665414886 /nfs/dbraw/zinc/41/48/86/665414886.db2.gz XMGXNEAJEJJCIO-MUWHJKNJSA-N 0 0 300.409 0.945 10 0 DCAERN CCS(=O)(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886031723 667726140 /nfs/dbraw/zinc/72/61/40/667726140.db2.gz PDBGLGUVBKTBTD-DTWKUNHWSA-N 0 0 302.318 0.868 10 0 DCAERN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000170895525 665462524 /nfs/dbraw/zinc/46/25/24/665462524.db2.gz LCPTURNAYLZDMX-TVQRCGJNSA-N 0 0 316.279 0.689 10 0 DCAERN COC[C@@H]1CN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CCO1 ZINC000255370599 657527371 /nfs/dbraw/zinc/52/73/71/657527371.db2.gz ZVVMMTJCMOGFGP-OCCSQVGLSA-N 0 0 322.409 0.562 10 0 DCAERN C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)[C@@H]1CCOC1 ZINC000255138840 657750015 /nfs/dbraw/zinc/75/00/15/657750015.db2.gz UUVXDURYTVXXNI-HDTYDHQFSA-N 0 0 308.334 0.065 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)/C=C\c1ccc2ccccc2n1 ZINC000254973680 657999392 /nfs/dbraw/zinc/99/93/92/657999392.db2.gz CQRUNNARWHBGQM-ZPIQOJFGSA-N 0 0 311.341 0.961 10 0 DCAERN Cc1nc(NC(=O)C[C@H]2CNCCS2(=O)=O)sc1C ZINC000725004965 658015057 /nfs/dbraw/zinc/01/50/57/658015057.db2.gz FXNKGDYRYHODPK-VIFPVBQESA-N 0 0 303.409 0.475 10 0 DCAERN Cn1cc(/C=C/C(=O)OCCc2ccccc2)c(=O)n(C)c1=O ZINC000054148677 658178673 /nfs/dbraw/zinc/17/86/73/658178673.db2.gz MLHVNOCTJBYSLS-CMDGGOBGSA-N 0 0 314.341 0.883 10 0 DCAERN O=C(C[C@H]1COCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000262427954 658192709 /nfs/dbraw/zinc/19/27/09/658192709.db2.gz SMYJMLDRLOACQV-ZDUSSCGKSA-N 0 0 301.350 0.262 10 0 DCAERN Cc1ccc(/C=C\CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1 ZINC000255047226 658426098 /nfs/dbraw/zinc/42/60/98/658426098.db2.gz HLIJYAXAEJSDIE-IHWYPQMZSA-N 0 0 323.418 0.746 10 0 DCAERN NC(=O)[C@@H]1CCN1c1ccc(I)cc1N ZINC000757143610 658497225 /nfs/dbraw/zinc/49/72/25/658497225.db2.gz IBOZCNKJECLCKQ-VIFPVBQESA-N 0 0 317.130 0.937 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)Cn1cnnc1[S@](C)=O ZINC000255050587 658515440 /nfs/dbraw/zinc/51/54/40/658515440.db2.gz GSSMGQOCELFWRF-CLTRCRFRSA-N 0 0 322.394 0.244 10 0 DCAERN Cc1nc2c(cnn2C)c(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000176705264 658539353 /nfs/dbraw/zinc/53/93/53/658539353.db2.gz UAGUJWOOQUILIU-SMDDNHRTSA-N 0 0 316.409 0.829 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000247039999 658581842 /nfs/dbraw/zinc/58/18/42/658581842.db2.gz KRPJAFUINGZTOO-DYEKYZERSA-N 0 0 316.357 0.928 10 0 DCAERN N[C@@H](CS(=O)(=O)N1CCOCC1)C(F)(F)C(F)(F)F ZINC000757150977 658582663 /nfs/dbraw/zinc/58/26/63/658582663.db2.gz LQVVSJFJJXJOCJ-LURJTMIESA-N 0 0 312.260 0.173 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2cccnc2Cl)CC1=O ZINC000723354616 658643475 /nfs/dbraw/zinc/64/34/75/658643475.db2.gz XOZXWAZRSBPGKA-SECBINFHSA-N 0 0 317.798 0.882 10 0 DCAERN C[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)C[C@H](C)O1 ZINC000891394603 658672034 /nfs/dbraw/zinc/67/20/34/658672034.db2.gz WYGAQTDVBLQRFI-OCAPTIKFSA-N 0 0 305.787 0.996 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCOCC3(CC3)C2)C1=O ZINC000888076068 658707623 /nfs/dbraw/zinc/70/76/23/658707623.db2.gz UVZWMHZNMPNNKD-CYBMUJFWSA-N 0 0 310.394 0.653 10 0 DCAERN COc1nn(C)cc1NC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000888076266 658709747 /nfs/dbraw/zinc/70/97/47/658709747.db2.gz RELGMSNPTUFXED-LLVKDONJSA-N 0 0 310.354 0.395 10 0 DCAERN CCOC1CC(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2nccn2C)C1 ZINC000888076689 658715728 /nfs/dbraw/zinc/71/57/28/658715728.db2.gz HOXPLIVTDSYOAY-UAKHECDHSA-N 0 0 320.393 0.671 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)COCC(F)(F)F)c1 ZINC000888077166 658717046 /nfs/dbraw/zinc/71/70/46/658717046.db2.gz POFOUGWRRLDBLX-IQJOONFLSA-N 0 0 307.272 0.561 10 0 DCAERN Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2n[nH]c3c2CCC3)c1 ZINC000888077025 658717054 /nfs/dbraw/zinc/71/70/54/658717054.db2.gz DOSDCPCWRHVGOX-OUCADQQQSA-N 0 0 301.350 0.508 10 0 DCAERN O=C(N[C@H]1CCS(=O)(=O)C1)C1(c2ccc3c(c2)OCO3)CC1 ZINC000240804605 665638872 /nfs/dbraw/zinc/63/88/72/665638872.db2.gz BBKQTBJLZPWFHX-NSHDSACASA-N 0 0 323.370 0.750 10 0 DCAERN O=C(NCCCF)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000181554149 659058746 /nfs/dbraw/zinc/05/87/46/659058746.db2.gz XHNNLUYZLUOPCN-NEPJUHHUSA-N 0 0 315.301 0.648 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)O)cc1 ZINC000394021405 659083679 /nfs/dbraw/zinc/08/36/79/659083679.db2.gz OHVOYZMBWXGCOI-VIFPVBQESA-N 0 0 300.380 0.484 10 0 DCAERN O=C(c1cncc(Br)c1)N1CCOC[C@@H]1CO ZINC000168173842 659322117 /nfs/dbraw/zinc/32/21/17/659322117.db2.gz KSTOIDIOVPKDIC-JTQLQIEISA-N 0 0 301.140 0.677 10 0 DCAERN Cc1cc(-n2cc(COC(=O)[C@@H]3CNC(=O)C3)nn2)ccc1F ZINC000193808102 659462783 /nfs/dbraw/zinc/46/27/83/659462783.db2.gz AYQFGBPDLQWNAN-JTQLQIEISA-N 0 0 318.308 0.894 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000194169145 659483483 /nfs/dbraw/zinc/48/34/83/659483483.db2.gz QVIJLGKNIFPHKH-IUCAKERBSA-N 0 0 300.309 0.922 10 0 DCAERN C[C@H]1COCCN1C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000332764233 659749082 /nfs/dbraw/zinc/74/90/82/659749082.db2.gz GOFYKSNTNXCGAS-WDEREUQCSA-N 0 0 321.381 0.759 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCS(=O)(=O)[C@@H](C)C2)[nH]1 ZINC000333107092 659774799 /nfs/dbraw/zinc/77/47/99/659774799.db2.gz DUPALPQJDVSOMW-QMMMGPOBSA-N 0 0 308.363 0.525 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c1C ZINC000722577494 661421008 /nfs/dbraw/zinc/42/10/08/661421008.db2.gz VHHJPARVKNANQJ-UHFFFAOYSA-N 0 0 318.464 0.972 10 0 DCAERN Cc1ccnc(-c2noc(C[C@H]3CS(=O)(=O)CCN3)n2)c1 ZINC000126131760 661455898 /nfs/dbraw/zinc/45/58/98/661455898.db2.gz INFXNLJVGQXVPC-JTQLQIEISA-N 0 0 308.363 0.369 10 0 DCAERN CC1CCN(C(=O)NCC[C@H]2CNCCS2(=O)=O)CC1 ZINC000721758750 661586384 /nfs/dbraw/zinc/58/63/84/661586384.db2.gz FVSVRUNWWPZFLM-LBPRGKRZSA-N 0 0 303.428 0.205 10 0 DCAERN CC(C)C(=O)NCC(=O)NCCCc1nnc2ccccn21 ZINC000222445101 661613482 /nfs/dbraw/zinc/61/34/82/661613482.db2.gz HVMRJNJXXYVKTK-UHFFFAOYSA-N 0 0 303.366 0.550 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000338932447 661807281 /nfs/dbraw/zinc/80/72/81/661807281.db2.gz AMKHSMAGBVFZBA-CHWSQXEVSA-N 0 0 321.402 0.121 10 0 DCAERN CN(C)C(=O)NCCNS(=O)(=O)c1cccc2ncccc21 ZINC000182400214 665802328 /nfs/dbraw/zinc/80/23/28/665802328.db2.gz JNSWCDPODXZTQM-UHFFFAOYSA-N 0 0 322.390 0.784 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ncnn1C(C)(C)C ZINC000337327846 662051957 /nfs/dbraw/zinc/05/19/57/662051957.db2.gz QTWPVXIMEAOYGG-JTQLQIEISA-N 0 0 311.411 0.571 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000338950766 662093072 /nfs/dbraw/zinc/09/30/72/662093072.db2.gz IBIUZJDCTWLMMT-GFCCVEGCSA-N 0 0 307.375 0.323 10 0 DCAERN Cc1csc([C@H](C)NC(=S)NCCNS(C)(=O)=O)n1 ZINC000727658291 662214116 /nfs/dbraw/zinc/21/41/16/662214116.db2.gz FEBHMMFQUFKSET-QMMMGPOBSA-N 0 0 322.481 0.526 10 0 DCAERN CCN(CC(=O)OC)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000728709484 662413305 /nfs/dbraw/zinc/41/33/05/662413305.db2.gz WCPXUFOKDGYAMT-ZDUSSCGKSA-N 0 0 319.361 0.602 10 0 DCAERN Cc1nc(NCCN2CCOCC2)c2c(n1)N[C@@H](C)C(=O)N2 ZINC000224021177 662579595 /nfs/dbraw/zinc/57/95/95/662579595.db2.gz HDZIDTIXMJHUCR-VIFPVBQESA-N 0 0 306.370 0.282 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)OCCOCCOC)c1 ZINC000729095711 662632326 /nfs/dbraw/zinc/63/23/26/662632326.db2.gz UICLDXZSVKOMGA-UHFFFAOYSA-N 0 0 317.363 0.415 10 0 DCAERN CC(=O)N1C[C@H](C(=O)OC[C@@H]2COCCO2)Oc2ccccc21 ZINC000729105344 662634356 /nfs/dbraw/zinc/63/43/56/662634356.db2.gz GFWBCVOXAFGRPL-SWLSCSKDSA-N 0 0 321.329 0.759 10 0 DCAERN CCSCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000067624992 662813135 /nfs/dbraw/zinc/81/31/35/662813135.db2.gz JJSGEVGYIFLFBG-UHFFFAOYSA-N 0 0 308.359 0.986 10 0 DCAERN CC(C)[C@H](OC(=O)c1ccc(OCC(N)=O)cc1)C(=O)N(C)C ZINC000729699171 662907518 /nfs/dbraw/zinc/90/75/18/662907518.db2.gz RQGQCLDVEIVMEE-AWEZNQCLSA-N 0 0 322.361 0.820 10 0 DCAERN Cc1occc1C(=O)NCC(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000729703012 662907799 /nfs/dbraw/zinc/90/77/99/662907799.db2.gz CBBYMGJJLWRFJT-CYBMUJFWSA-N 0 0 310.350 0.974 10 0 DCAERN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C)[C@H](C)O)c1 ZINC000344874590 663079857 /nfs/dbraw/zinc/07/98/57/663079857.db2.gz CNRAQXIVRXHQJW-ZJUUUORDSA-N 0 0 301.364 0.829 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)O)cc1 ZINC000346403645 663161602 /nfs/dbraw/zinc/16/16/02/663161602.db2.gz MTDCPXHTFCXUMO-ZJUUUORDSA-N 0 0 300.380 0.484 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)CCN2)[C@@H]1C ZINC000126449627 668597578 /nfs/dbraw/zinc/59/75/78/668597578.db2.gz OQLZBNKTPNSHIW-LPWJVIDDSA-N 0 0 302.440 0.704 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)NCC[C@@H]2CCCO2)ccc1F ZINC000070959682 665977940 /nfs/dbraw/zinc/97/79/40/665977940.db2.gz YOEQXCHDGPHDOY-JTQLQIEISA-N 0 0 316.354 0.772 10 0 DCAERN C/C=C/[C@H](O)C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000908315411 663748456 /nfs/dbraw/zinc/74/84/56/663748456.db2.gz YXJLGHHYVBCMAL-FQVTYBBZSA-N 0 0 301.350 0.679 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)Nn2ccnn2)[C@H]1c1ccnn1C ZINC000908827996 663770898 /nfs/dbraw/zinc/77/08/98/663770898.db2.gz UUVQHOXEMBWDER-GWCFXTLKSA-N 0 0 317.353 0.082 10 0 DCAERN CC(C)c1nn(C)cc1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909161524 663784832 /nfs/dbraw/zinc/78/48/32/663784832.db2.gz LZJALKHLMRLEAG-BZPMIXESSA-N 0 0 303.366 0.844 10 0 DCAERN CCOC1(C(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)CCOCC1 ZINC000909190839 663786011 /nfs/dbraw/zinc/78/60/11/663786011.db2.gz PYBMPRQOJNYULX-UPJWGTAASA-N 0 0 309.366 0.259 10 0 DCAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCOC[C@H]1CO ZINC000912429028 664171852 /nfs/dbraw/zinc/17/18/52/664171852.db2.gz ZDKCFYLHWVQRMV-LLVKDONJSA-N 0 0 323.374 0.950 10 0 DCAERN Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCOC[C@@H]1CO ZINC000912429547 664172059 /nfs/dbraw/zinc/17/20/59/664172059.db2.gz ACMHTEYOCLYXOQ-MNOVXSKESA-N 0 0 312.391 0.789 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C)C[C@@H]1CO ZINC000912739088 664215636 /nfs/dbraw/zinc/21/56/36/664215636.db2.gz PUIBPQQULVJNCO-MGPQQGTHSA-N 0 0 322.409 0.116 10 0 DCAERN CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C1CS(=O)(=O)C1 ZINC000913135450 664270294 /nfs/dbraw/zinc/27/02/94/664270294.db2.gz HGXCFBPYWBPDSS-JTQLQIEISA-N 0 0 318.395 0.251 10 0 DCAERN CNS(=O)(=O)c1ccc2oc(C(=O)N(C)CCO)cc2c1 ZINC000222812166 664390411 /nfs/dbraw/zinc/39/04/11/664390411.db2.gz WZWUBHXKMIENOS-UHFFFAOYSA-N 0 0 312.347 0.405 10 0 DCAERN C[C@]1(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)CCCS1 ZINC000156922637 664395109 /nfs/dbraw/zinc/39/51/09/664395109.db2.gz MSRMCZRMBNZUIJ-ZYHUDNBSSA-N 0 0 306.453 0.165 10 0 DCAERN CCc1nccn1CCCNC(=O)Cc1ncn(C)c(=O)c1C ZINC000222940668 664395352 /nfs/dbraw/zinc/39/53/52/664395352.db2.gz WXJPSEVRFGRERJ-UHFFFAOYSA-N 0 0 317.393 0.597 10 0 DCAERN O=C(c1ccnc(Br)c1)N1CCO[C@H](CO)C1 ZINC000225973228 664496973 /nfs/dbraw/zinc/49/69/73/664496973.db2.gz GHOCCEWUHPGWBJ-VIFPVBQESA-N 0 0 301.140 0.677 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C[C@H](C)S1 ZINC000226681838 664520598 /nfs/dbraw/zinc/52/05/98/664520598.db2.gz ISDMRTULJOLKNQ-AXFHLTTASA-N 0 0 306.453 0.116 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1OC ZINC000168643540 664527638 /nfs/dbraw/zinc/52/76/38/664527638.db2.gz WYQMDTBUAWPVAY-SNVBAGLBSA-N 0 0 317.363 0.086 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC1CCSCC1 ZINC000229274160 664596827 /nfs/dbraw/zinc/59/68/27/664596827.db2.gz MJYPLSINHSZECM-LLVKDONJSA-N 0 0 306.453 0.023 10 0 DCAERN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H]1CNC(=O)C1 ZINC000171045950 664601491 /nfs/dbraw/zinc/60/14/91/664601491.db2.gz RQTHVHLHAQBEJE-CMPLNLGQSA-N 0 0 302.330 0.644 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)c1cccc(F)c1 ZINC000172403190 664620868 /nfs/dbraw/zinc/62/08/68/664620868.db2.gz QYIJPNKGMUCJRI-AWEZNQCLSA-N 0 0 317.320 0.800 10 0 DCAERN CC(C)C[C@H]1NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961702 664625990 /nfs/dbraw/zinc/62/59/90/664625990.db2.gz GABZZYNUFKXXNF-UONOGXRCSA-N 0 0 324.425 0.317 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173707737 664630940 /nfs/dbraw/zinc/63/09/40/664630940.db2.gz BJNQXXRFBLJDQT-IINYFYTJSA-N 0 0 312.391 0.915 10 0 DCAERN O=C(OCc1nc(Cc2ccc(F)cc2)no1)[C@H]1CNC(=O)C1 ZINC000173983381 664634588 /nfs/dbraw/zinc/63/45/88/664634588.db2.gz TXQNLUQIEYKXLR-SNVBAGLBSA-N 0 0 319.292 0.979 10 0 DCAERN NC(=O)Cn1cc(C(=O)O[C@H]2CCCc3ccccc32)nn1 ZINC000174095822 664635482 /nfs/dbraw/zinc/63/54/82/664635482.db2.gz UZKWDZDMCMTCJS-ZDUSSCGKSA-N 0 0 300.318 0.998 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCC[C@H](C)C1 ZINC000730307267 664681915 /nfs/dbraw/zinc/68/19/15/664681915.db2.gz BEWZLAAVQORAIK-JQWIXIFHSA-N 0 0 314.407 0.710 10 0 DCAERN C[C@@H]1CN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCS1(=O)=O ZINC000151611997 664708981 /nfs/dbraw/zinc/70/89/81/664708981.db2.gz AMWMMPLHHIYNSK-UTUOFQBUSA-N 0 0 312.391 0.014 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000730771377 664805852 /nfs/dbraw/zinc/80/58/52/664805852.db2.gz NMINLPHJYOKBTM-NSHDSACASA-N 0 0 302.396 0.469 10 0 DCAERN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)C1=COCCC1 ZINC000730833342 664818211 /nfs/dbraw/zinc/81/82/11/664818211.db2.gz ZLOKTJQHYXKLJU-LBPRGKRZSA-N 0 0 321.329 0.966 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C1=COCCC1 ZINC000730850491 664820717 /nfs/dbraw/zinc/82/07/17/664820717.db2.gz GMZUCLVUQOHSCZ-LBPRGKRZSA-N 0 0 313.350 0.928 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000741421496 664837335 /nfs/dbraw/zinc/83/73/35/664837335.db2.gz QQYXCUWGIWMJTL-GTJPDFRWSA-N 0 0 314.407 0.494 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(-n2nccn2)nc1 ZINC000741422812 664841683 /nfs/dbraw/zinc/84/16/83/664841683.db2.gz ZZBFOVPZYDFPSO-OAQYLSRUSA-N 0 0 308.367 0.552 10 0 DCAERN CCS(=O)(=O)CCNC(=O)c1ccc(CNC(C)=O)s1 ZINC000068057433 665392204 /nfs/dbraw/zinc/39/22/04/665392204.db2.gz WKMKKEWQTKIACB-UHFFFAOYSA-N 0 0 318.420 0.549 10 0 DCAERN Cc1occc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000073535835 665400204 /nfs/dbraw/zinc/40/02/04/665400204.db2.gz KNDKYHRPQPUDSK-UHFFFAOYSA-N 0 0 302.290 0.775 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@@H](O)c1ccccc1F ZINC000183566548 666069289 /nfs/dbraw/zinc/06/92/89/666069289.db2.gz DTMXWWINPISWKN-CYBMUJFWSA-N 0 0 307.329 0.840 10 0 DCAERN COCCN1CCCN(CN2C[C@H](C(C)C)CC2=O)CC1=O ZINC000189295536 666095327 /nfs/dbraw/zinc/09/53/27/666095327.db2.gz NBWLOZZAVQYZGD-CQSZACIVSA-N 0 0 311.426 0.629 10 0 DCAERN Cn1nccc1CCNC(=O)N1CCN(c2cccnn2)CC1 ZINC000186761861 666593854 /nfs/dbraw/zinc/59/38/54/666593854.db2.gz GLXATJGWRAIVSF-UHFFFAOYSA-N 0 0 315.381 0.284 10 0 DCAERN COCCS(=O)(=O)CCCOC(=O)Cn1nc(C)cc1C ZINC000733425746 666663949 /nfs/dbraw/zinc/66/39/49/666663949.db2.gz MMWTZXNQCXGHDU-UHFFFAOYSA-N 0 0 318.395 0.494 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1cccnc1Br ZINC000700216754 666695982 /nfs/dbraw/zinc/69/59/82/666695982.db2.gz LNBWSENFRQBKSU-VIFPVBQESA-N 0 0 314.183 0.905 10 0 DCAERN O=C(N[C@H]1CCNC1=O)c1cc(Br)cnc1F ZINC000700921686 666784280 /nfs/dbraw/zinc/78/42/80/666784280.db2.gz CUUAKPUUCCFYQY-ZETCQYMHSA-N 0 0 302.103 0.602 10 0 DCAERN CC[S@](=O)CCNC(=O)COc1ccc(C=O)cc1OC ZINC000733962279 666832307 /nfs/dbraw/zinc/83/23/07/666832307.db2.gz KLXNZZATNOYADL-NRFANRHFSA-N 0 0 313.375 0.771 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1Cc2ccccc2CN1C(C)=O ZINC000733962760 666832594 /nfs/dbraw/zinc/83/25/94/666832594.db2.gz NHFQVJWBALPKSL-QRQCRPRQSA-N 0 0 322.430 0.845 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000735109467 666947169 /nfs/dbraw/zinc/94/71/69/666947169.db2.gz FNTNHOJVYLGYFT-LAJNKCICSA-N 0 0 317.455 0.703 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 ZINC000735081790 666948734 /nfs/dbraw/zinc/94/87/34/666948734.db2.gz WCISKHXYEJQDTG-SFHVURJKSA-N 0 0 305.377 0.130 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000735112527 666954823 /nfs/dbraw/zinc/95/48/23/666954823.db2.gz QJIFWFAVUVVFBG-ZSEKCTLFSA-N 0 0 319.471 0.411 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000702431084 666956269 /nfs/dbraw/zinc/95/62/69/666956269.db2.gz RKTBPYDJCJZNOY-IHRRRGAJSA-N 0 0 305.378 0.425 10 0 DCAERN CO[C@](C)(CO)CNC(=O)c1ccc(Br)nc1 ZINC000702518130 666964334 /nfs/dbraw/zinc/96/43/34/666964334.db2.gz QOEOSJWYQSEKAJ-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000735197580 666965709 /nfs/dbraw/zinc/96/57/09/666965709.db2.gz DIHOISMKPGOPCE-NRFANRHFSA-N 0 0 312.347 0.239 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)NCC[S@@](=O)CC ZINC000735199194 666965922 /nfs/dbraw/zinc/96/59/22/666965922.db2.gz LKMUZTYHFWXVAZ-NRFANRHFSA-N 0 0 313.379 0.304 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(OC)cc1C ZINC000735201015 666968450 /nfs/dbraw/zinc/96/84/50/666968450.db2.gz OPXMTGVDUSCXJM-OAQYLSRUSA-N 0 0 312.391 0.827 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC000702789316 666993965 /nfs/dbraw/zinc/99/39/65/666993965.db2.gz DLWSUZNIFKQREQ-ONGXEEELSA-N 0 0 310.354 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cc2cc[nH]n2)[C@H](O)C1 ZINC000702818634 666999910 /nfs/dbraw/zinc/99/99/10/666999910.db2.gz KIUNGMWMIPJHAH-ZYHUDNBSSA-N 0 0 324.381 0.296 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000702818628 666999929 /nfs/dbraw/zinc/99/99/29/666999929.db2.gz KIUNGMWMIPJHAH-CMPLNLGQSA-N 0 0 324.381 0.296 10 0 DCAERN Cc1c[nH]nc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702834265 667001433 /nfs/dbraw/zinc/00/14/33/667001433.db2.gz WUJPCDGXFSFUJA-MNOVXSKESA-N 0 0 324.381 0.676 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2N)C1 ZINC000703016996 667030226 /nfs/dbraw/zinc/03/02/26/667030226.db2.gz XLKULASLVWMPLB-SECBINFHSA-N 0 0 301.343 0.172 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C[C@H](O)CN1CCCC1=O ZINC000119130047 667087714 /nfs/dbraw/zinc/08/77/14/667087714.db2.gz HMALYOHHNMFDHV-JTQLQIEISA-N 0 0 300.790 0.489 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(Cl)c[nH]2)cn1 ZINC000862926082 667093746 /nfs/dbraw/zinc/09/37/46/667093746.db2.gz CKEWLCPUPPNWTA-NWDGAFQWSA-N 0 0 310.741 0.978 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@H](C)CCSC)cn1C ZINC000736347134 667152205 /nfs/dbraw/zinc/15/22/05/667152205.db2.gz SKJRHBFCACJDRL-SECBINFHSA-N 0 0 319.452 0.805 10 0 DCAERN C[C@H]1CN(CCCNC(=O)C(F)(F)F)CCS1(=O)=O ZINC000120645786 667334907 /nfs/dbraw/zinc/33/49/07/667334907.db2.gz XUFBXLQLAZJESP-QMMMGPOBSA-N 0 0 302.318 0.174 10 0 DCAERN CN(CCOCCNCc1cn(C)nn1)C(=O)OC(C)(C)C ZINC000705905121 667392292 /nfs/dbraw/zinc/39/22/92/667392292.db2.gz TUBAVONWHXMCBH-UHFFFAOYSA-N 0 0 313.402 0.788 10 0 DCAERN C[C@@H](CN1CCOCC1)NS(=O)(=O)C1CCC(=O)CC1 ZINC000708240905 667442264 /nfs/dbraw/zinc/44/22/64/667442264.db2.gz KVFRWFUMDDYPTK-NSHDSACASA-N 0 0 304.412 0.138 10 0 DCAERN CCOc1cc(NC(C)(C)CNS(C)(=O)=O)nc(C)n1 ZINC000708374543 667443073 /nfs/dbraw/zinc/44/30/73/667443073.db2.gz YLKZYGCJHRHEDF-UHFFFAOYSA-N 0 0 302.400 0.923 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000711185352 667452321 /nfs/dbraw/zinc/45/23/21/667452321.db2.gz WKXUGYPRFLPXRI-ZETCQYMHSA-N 0 0 321.196 0.943 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCSC[C@@H]2CCO)nn1 ZINC000711711467 667532309 /nfs/dbraw/zinc/53/23/09/667532309.db2.gz QIIUNHGVYPQEJX-JTQLQIEISA-N 0 0 303.409 0.274 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2cccnc2Cl)C1 ZINC000134897390 667556450 /nfs/dbraw/zinc/55/64/50/667556450.db2.gz DHIJXFIRBDJASZ-SNVBAGLBSA-N 0 0 319.814 0.734 10 0 DCAERN O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCc2nc[nH]c2C1 ZINC000220566266 667576103 /nfs/dbraw/zinc/57/61/03/667576103.db2.gz XDIFVXXIMNFXBS-NSHDSACASA-N 0 0 323.360 0.807 10 0 DCAERN C[C@@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000122219096 667584429 /nfs/dbraw/zinc/58/44/29/667584429.db2.gz SIUIGLJQGURCSN-MRVPVSSYSA-N 0 0 320.798 0.701 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1coc(Br)c1 ZINC000187220226 667585201 /nfs/dbraw/zinc/58/52/01/667585201.db2.gz VNYILTGEVXBJDI-HTQZYQBOSA-N 0 0 318.123 0.791 10 0 DCAERN C[C@@H](O)[C@@H](O)CNc1ccc(I)cn1 ZINC000717349169 667639104 /nfs/dbraw/zinc/63/91/04/667639104.db2.gz YEPAWIHACKGPTQ-SVRRBLITSA-N 0 0 308.119 0.840 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000121343642 667706942 /nfs/dbraw/zinc/70/69/42/667706942.db2.gz BUKRCPNXHMBQQX-UHFFFAOYSA-N 0 0 317.324 0.615 10 0 DCAERN CO[C@@H](C)CC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136427638 667722757 /nfs/dbraw/zinc/72/27/57/667722757.db2.gz BLINCHSNUIQDPL-NSHDSACASA-N 0 0 304.354 0.198 10 0 DCAERN CC(=O)N1C[C@H](NC(=O)Cn2cccn2)CC[C@@H]1C(F)(F)F ZINC000886031778 667726213 /nfs/dbraw/zinc/72/62/13/667726213.db2.gz WPANCUVHHADQBV-GHMZBOCLSA-N 0 0 318.299 0.941 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCc2cccc(CO)c2)C1=O ZINC000886074640 667729082 /nfs/dbraw/zinc/72/90/82/667729082.db2.gz JUAQMYQIGLLRDZ-OAHLLOKOSA-N 0 0 320.389 0.823 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)NCCc2c(C)noc2C)C1=O ZINC000886075135 667729284 /nfs/dbraw/zinc/72/92/84/667729284.db2.gz CAAYZJZXAIXPDX-CQSZACIVSA-N 0 0 323.393 0.978 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)o1 ZINC000886084788 667730195 /nfs/dbraw/zinc/73/01/95/667730195.db2.gz HHGYWSAQBQPPAK-HNNXBMFYSA-N 0 0 304.350 0.926 10 0 DCAERN Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCCCO2)CCC(=O)N1C ZINC000886088481 667730841 /nfs/dbraw/zinc/73/08/41/667730841.db2.gz XONJHSVFLWPEHG-FZMZJTMJSA-N 0 0 306.366 0.884 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(C(=O)COCC2CC2)C1 ZINC000886095436 667731540 /nfs/dbraw/zinc/73/15/40/667731540.db2.gz WLFSJOSEIIZSFA-HNNXBMFYSA-N 0 0 308.382 0.138 10 0 DCAERN COCCCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000103335834 667734063 /nfs/dbraw/zinc/73/40/63/667734063.db2.gz UCRIHXKSKHWRHZ-UHFFFAOYSA-N 0 0 306.318 0.660 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)Cc1cccc(Br)c1 ZINC000717379793 667735719 /nfs/dbraw/zinc/73/57/19/667735719.db2.gz OCKIRBLQURAXER-GZMMTYOYSA-N 0 0 302.168 0.850 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)Cc1ccc(Br)cc1 ZINC000717381240 667735880 /nfs/dbraw/zinc/73/58/80/667735880.db2.gz XHUOHLJMJWMTQK-LDYMZIIASA-N 0 0 302.168 0.850 10 0 DCAERN CCOCCN1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000741420352 667770269 /nfs/dbraw/zinc/77/02/69/667770269.db2.gz IIYYYNLXIABZDQ-HXUWFJFHSA-N 0 0 305.444 0.119 10 0 DCAERN N=C1NC(=O)C(CC(=O)N2CCC(c3ncc[nH]3)CC2)S1 ZINC000742598427 667794755 /nfs/dbraw/zinc/79/47/55/667794755.db2.gz AVFDDTDAEPNFFP-SECBINFHSA-N 0 0 307.379 0.672 10 0 DCAERN CCOC(=O)CN1CCC(COC(=O)Cc2cnn(C)c2)CC1 ZINC000124826982 668148482 /nfs/dbraw/zinc/14/84/82/668148482.db2.gz IQGXXYXVERJVIG-UHFFFAOYSA-N 0 0 323.393 0.781 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126445965 668596416 /nfs/dbraw/zinc/59/64/16/668596416.db2.gz CSFUVSRACOHNQE-DGCLKSJQSA-N 0 0 308.403 0.741 10 0 DCAERN CC(C)CN(CC(C)C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126503055 668615291 /nfs/dbraw/zinc/61/52/91/668615291.db2.gz RETDXQKRNLFXOY-ZDUSSCGKSA-N 0 0 304.456 0.904 10 0 DCAERN C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000126685750 668645542 /nfs/dbraw/zinc/64/55/42/668645542.db2.gz QURTZWUAZDZKCW-JHJVBQTASA-N 0 0 302.440 0.800 10 0 DCAERN CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000131122074 669657626 /nfs/dbraw/zinc/65/76/26/669657626.db2.gz DJJHLORFFBHKTM-RYUDHWBXSA-N 0 0 324.377 0.684 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000131479605 669670647 /nfs/dbraw/zinc/67/06/47/669670647.db2.gz YUBLSZASSGTULR-WCQYABFASA-N 0 0 314.432 0.993 10 0 DCAERN COC[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000131894150 669693117 /nfs/dbraw/zinc/69/31/17/669693117.db2.gz SMLYULLCPMYDKA-LLVKDONJSA-N 0 0 306.322 0.098 10 0 DCAERN O=C(c1ccc(Cl)cn1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794069685 669778328 /nfs/dbraw/zinc/77/83/28/669778328.db2.gz UTJRLFDAQWQGCU-ZDUSSCGKSA-N 0 0 307.741 0.977 10 0 DCAERN CC1(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)OCCCO1 ZINC000191116467 669979399 /nfs/dbraw/zinc/97/93/99/669979399.db2.gz ASOOOEHBUIEMFN-VIFPVBQESA-N 0 0 324.299 0.667 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc(N(C)C)cc2)CC1=O ZINC000191507869 670045961 /nfs/dbraw/zinc/04/59/61/670045961.db2.gz LWUXUKBRCACLRX-UHFFFAOYSA-N 0 0 304.350 0.339 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NN=c2cc(Cl)[nH]c(N)n2)C1 ZINC000189348012 670114395 /nfs/dbraw/zinc/11/43/95/670114395.db2.gz VGRXODTXNOHKRF-ZETCQYMHSA-N 0 0 320.806 0.605 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccccc1N ZINC000713959094 670172868 /nfs/dbraw/zinc/17/28/68/670172868.db2.gz DLMBPAFVGAKMAJ-UHFFFAOYSA-N 0 0 320.436 0.713 10 0 DCAERN CCNC(=O)CNC(=O)NN=c1ccc(Br)c[nH]1 ZINC000192608003 670184588 /nfs/dbraw/zinc/18/45/88/670184588.db2.gz PQOLKJQFDWZIEW-UHFFFAOYSA-N 0 0 316.159 0.606 10 0 DCAERN O=C(NCC[C@@H]1CCCS1(=O)=O)c1cncc(Cl)n1 ZINC000714360450 670185264 /nfs/dbraw/zinc/18/52/64/670185264.db2.gz JKDZZNCXKJJKMR-QMMMGPOBSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2csc(Br)c2)C1 ZINC000714412637 670185944 /nfs/dbraw/zinc/18/59/44/670185944.db2.gz JPVNMVLTBUUPND-UHFFFAOYSA-N 0 0 320.164 0.871 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC000714494366 670190522 /nfs/dbraw/zinc/19/05/22/670190522.db2.gz CWXYOCGQBFXARX-UHFFFAOYSA-N 0 0 307.133 0.692 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000716047597 670227636 /nfs/dbraw/zinc/22/76/36/670227636.db2.gz XGSFGSCXWGZUTD-FGNRJIRKSA-N 0 0 318.464 0.940 10 0 DCAERN CC[C@@H](C[C@H](C)O)NC(=O)c1c(Br)nnn1C ZINC000716868838 670275151 /nfs/dbraw/zinc/27/51/51/670275151.db2.gz AUSIYPGSCMHRED-BQBZGAKWSA-N 0 0 305.176 0.857 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1cnn(C)c1Br ZINC000716877970 670275428 /nfs/dbraw/zinc/27/54/28/670275428.db2.gz BDUHDGANHVFMCX-JTQLQIEISA-N 0 0 306.160 0.310 10 0 DCAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000757193300 670358805 /nfs/dbraw/zinc/35/88/05/670358805.db2.gz YMTODXJHONIVQB-ZIAGYGMSSA-N 0 0 324.402 0.859 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@]2(CCO[C@H]2CS(N)(=O)=O)C1 ZINC000757214198 670360258 /nfs/dbraw/zinc/36/02/58/670360258.db2.gz VNCZTSMMOJQUMR-GWCFXTLKSA-N 0 0 320.411 0.691 10 0 DCAERN O=C(COC(=O)[C@@H]1CNC(=O)C1)N[C@H]1CCCc2ccccc21 ZINC000194814501 670457513 /nfs/dbraw/zinc/45/75/13/670457513.db2.gz BHVAUEXFPOZTEJ-JSGCOSHPSA-N 0 0 316.357 0.860 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000195475469 670495273 /nfs/dbraw/zinc/49/52/73/670495273.db2.gz XQXAQDKNMNBOJC-RYUDHWBXSA-N 0 0 323.422 0.443 10 0 DCAERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccnc1 ZINC000113472796 670731097 /nfs/dbraw/zinc/73/10/97/670731097.db2.gz OZRJFIFVEDDPAO-MLRMMBSGSA-N 0 0 315.329 0.797 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000114546451 670841745 /nfs/dbraw/zinc/84/17/45/670841745.db2.gz DEUQMGUEMVNGAP-UKRRQHHQSA-N 0 0 308.403 0.932 10 0 DCAERN Cc1cc(N2CCC[C@H](OC(=O)[C@H]3CNC(=O)C3)C2)nc(C)n1 ZINC000108940164 670859835 /nfs/dbraw/zinc/85/98/35/670859835.db2.gz QDQXMPUKNRNHAG-OLZOCXBDSA-N 0 0 318.377 0.742 10 0 DCAERN CC(C)(O)C(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818498612 671024601 /nfs/dbraw/zinc/02/46/01/671024601.db2.gz SWUYQTWBLJWODN-HNNXBMFYSA-N 0 0 309.366 0.614 10 0 DCAERN Cc1nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c(=S)s1 ZINC000116869834 671131777 /nfs/dbraw/zinc/13/17/77/671131777.db2.gz WMMXKUVINQSQSG-MRVPVSSYSA-N 0 0 308.454 0.564 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 ZINC000116867405 671131883 /nfs/dbraw/zinc/13/18/83/671131883.db2.gz QNOMNOHMYHVECH-BBRMVZONSA-N 0 0 309.410 0.966 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104910797 672036425 /nfs/dbraw/zinc/03/64/25/672036425.db2.gz FGYQBURJZSNRDD-KBPBESRZSA-N 0 0 308.403 0.628 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N[C@]23C[C@H]2COC3)ccc1Cl ZINC000718026025 685304776 /nfs/dbraw/zinc/30/47/76/685304776.db2.gz BAFGVQNNYBPSRA-UFBFGSQYSA-N 0 0 316.766 0.506 10 0 DCAERN O=S(=O)(N[C@@H](CO)CC(F)(F)F)c1cccnc1F ZINC000717839504 685303612 /nfs/dbraw/zinc/30/36/12/685303612.db2.gz KCXTVUJKOBODKZ-ZCFIWIBFSA-N 0 0 302.249 0.812 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000719090555 685308478 /nfs/dbraw/zinc/30/84/78/685308478.db2.gz UZPAFEKUZRHUAH-GFCCVEGCSA-N 0 0 301.412 0.471 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@H]1CS(N)(=O)=O)[C@H]1CCCO1 ZINC000720546329 685313695 /nfs/dbraw/zinc/31/36/95/685313695.db2.gz IGJKGYCKYQRWNV-SDDRHHMPSA-N 0 0 304.412 0.471 10 0 DCAERN CC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000722043915 685319065 /nfs/dbraw/zinc/31/90/65/685319065.db2.gz PQSYKCKYYJMXEX-VXGBXAGGSA-N 0 0 302.396 0.238 10 0 DCAERN C[C@@H](C(=O)N1CC2(C1)CCOC2)N1C(=O)c2ccccc2C1=O ZINC000722700776 685319846 /nfs/dbraw/zinc/31/98/46/685319846.db2.gz RHGORQSCYDSNMF-NSHDSACASA-N 0 0 314.341 0.920 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)NCc2ccccc2)CCSC1 ZINC000096364645 685111795 /nfs/dbraw/zinc/11/17/95/685111795.db2.gz JIPHPGLUKSXUFP-OAHLLOKOSA-N 0 0 308.403 0.941 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1cn(-c2ccccc2)nn1 ZINC000121953755 685118378 /nfs/dbraw/zinc/11/83/78/685118378.db2.gz CLRONGYEGGDIMY-HNNXBMFYSA-N 0 0 313.361 0.894 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)NCCCN2CCCCCC2=O)C1 ZINC000134203209 685120960 /nfs/dbraw/zinc/12/09/60/685120960.db2.gz WZNJQEFINSBNKH-AWEZNQCLSA-N 0 0 324.425 0.699 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000135381848 685121272 /nfs/dbraw/zinc/12/12/72/685121272.db2.gz VQTPJYWJTWRCBO-UHFFFAOYSA-N 0 0 317.389 0.959 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000135369391 685121514 /nfs/dbraw/zinc/12/15/14/685121514.db2.gz JEEXSBFLFYMMQM-JINUEQRGSA-N 0 0 317.389 0.830 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177399126 685146816 /nfs/dbraw/zinc/14/68/16/685146816.db2.gz ARBVQXLHHNCPTB-CABCVRRESA-N 0 0 321.425 0.778 10 0 DCAERN O=c1c2ccc[nH]c-2cn1CN1CCN(c2cccnn2)CC1 ZINC000190239748 685153028 /nfs/dbraw/zinc/15/30/28/685153028.db2.gz UZEFREANXJBRHA-UHFFFAOYSA-N 0 0 310.361 0.607 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190300973 685153214 /nfs/dbraw/zinc/15/32/14/685153214.db2.gz CSMJFPZXIKBFKM-JQWIXIFHSA-N 0 0 320.397 0.832 10 0 DCAERN CCN1CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1=O ZINC000190646323 685153800 /nfs/dbraw/zinc/15/38/00/685153800.db2.gz VCGJFXNAXIHFPS-UHFFFAOYSA-N 0 0 322.342 0.603 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000245663100 685158181 /nfs/dbraw/zinc/15/81/81/685158181.db2.gz AHGXATPNLHBEGE-WWGRRREGSA-N 0 0 322.405 0.642 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCO[C@H](C)C3)[C@@H]2C1 ZINC000246055801 685160408 /nfs/dbraw/zinc/16/04/08/685160408.db2.gz BCEZDGWEPAHNDB-TUVASFSCSA-N 0 0 312.410 0.502 10 0 DCAERN Cc1ccc(N2CCC[C@H]2COC(=O)[C@@H]2CNC(=O)C2)nn1 ZINC000247054281 685169888 /nfs/dbraw/zinc/16/98/88/685169888.db2.gz ZLQGXHKNFIHGJT-RYUDHWBXSA-N 0 0 304.350 0.433 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000248450510 685175569 /nfs/dbraw/zinc/17/55/69/685175569.db2.gz YAEOWTFONRBBOV-WCQYABFASA-N 0 0 306.366 0.536 10 0 DCAERN CCN1CCC[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 ZINC000249751643 685183828 /nfs/dbraw/zinc/18/38/28/685183828.db2.gz DCJQLNMGUCTUBO-NEPJUHHUSA-N 0 0 320.480 0.507 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)[C@@H](C)C1 ZINC000252146107 685186347 /nfs/dbraw/zinc/18/63/47/685186347.db2.gz NXVWPUSRBHSNBI-VOAKCMCISA-N 0 0 302.440 0.704 10 0 DCAERN COCCN1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)C[C@@H]1C ZINC000252735360 685186791 /nfs/dbraw/zinc/18/67/91/685186791.db2.gz LACRSWACRKJUOK-BBRMVZONSA-N 0 0 322.405 0.908 10 0 DCAERN Cn1nnc(NC(=O)c2cc(F)c(Br)cc2N)n1 ZINC000306061157 1157636992 /nfs/dbraw/zinc/63/69/92/1157636992.db2.gz SNJXYYSGPFNGIB-UHFFFAOYSA-N 0 0 315.106 0.946 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3cccs3)CC2)no1 ZINC000262117850 1157695801 /nfs/dbraw/zinc/69/58/01/1157695801.db2.gz BOHBKCHAXAVAKI-UHFFFAOYSA-N 0 0 307.379 0.548 10 0 DCAERN C[C@@H](C(=O)NCc1nn(C)cc1Br)S(C)(=O)=O ZINC000393636248 1157805742 /nfs/dbraw/zinc/80/57/42/1157805742.db2.gz UWWXHMOUVGPRRF-LURJTMIESA-N 0 0 324.200 0.232 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2cnn(C)c2C)CC1 ZINC000158063743 1157824858 /nfs/dbraw/zinc/82/48/58/1157824858.db2.gz RFBVOBYREHJSSN-UHFFFAOYSA-N 0 0 308.382 0.486 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC000038106861 1171450271 /nfs/dbraw/zinc/45/02/71/1171450271.db2.gz CLIKGCBFJNEOJG-UHFFFAOYSA-N 0 0 311.773 0.024 10 0 DCAERN CC(=O)c1cccc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000044441082 1171567927 /nfs/dbraw/zinc/56/79/27/1171567927.db2.gz HXSIDJOJAOUJGK-UHFFFAOYSA-N 0 0 301.302 0.755 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN(C)C(=O)c2cccs2)CC1 ZINC000046319507 1171604782 /nfs/dbraw/zinc/60/47/82/1171604782.db2.gz FVSACFJJKCXWPH-UHFFFAOYSA-N 0 0 323.418 0.947 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCC(=O)N1CCCCC1 ZINC000046461159 1171609186 /nfs/dbraw/zinc/60/91/86/1171609186.db2.gz YUJKYGVQMMMLGN-UHFFFAOYSA-N 0 0 315.377 0.950 10 0 DCAERN CC(=O)N1CCC(C(=O)NCCN2C(=O)CSC2=O)CC1 ZINC000047693495 1171635426 /nfs/dbraw/zinc/63/54/26/1171635426.db2.gz OWOJHPOEUWEWNI-UHFFFAOYSA-N 0 0 313.379 0.057 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)CCNC(=O)c2ccco2)C1 ZINC000067365589 1173773815 /nfs/dbraw/zinc/77/38/15/1173773815.db2.gz XLAOQCVYNHGFLL-ZDUSSCGKSA-N 0 0 321.377 0.774 10 0 DCAERN CC(=O)NCCCNC(=O)CCc1nc(-c2ncccn2)no1 ZINC000075478414 1173932436 /nfs/dbraw/zinc/93/24/36/1173932436.db2.gz HAAJEPBUHVWJPS-UHFFFAOYSA-N 0 0 318.337 0.102 10 0 DCAERN Cc1ncn(CC(=O)NCC2CC2)c(=O)c1Br ZINC000090766909 1175434110 /nfs/dbraw/zinc/43/41/10/1175434110.db2.gz IVQNYSKLAKJPOQ-UHFFFAOYSA-N 0 0 300.156 0.840 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000095348934 1175777088 /nfs/dbraw/zinc/77/70/88/1175777088.db2.gz FOJVGXRTSAHCDN-YUMQZZPRSA-N 0 0 307.272 0.776 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000123621873 1177046911 /nfs/dbraw/zinc/04/69/11/1177046911.db2.gz OERKLSKZZAOXFA-JTQLQIEISA-N 0 0 304.412 0.090 10 0 DCAERN CNC(=O)CC1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC000126816443 1177270531 /nfs/dbraw/zinc/27/05/31/1177270531.db2.gz HZGSATZSZLIHBA-UHFFFAOYSA-N 0 0 306.366 0.375 10 0 DCAERN Cc1nc(C(=O)N2CCC(C3OCCO3)CC2)c(=O)[nH]c1C ZINC000130504903 1177472976 /nfs/dbraw/zinc/47/29/76/1177472976.db2.gz VVTQNNSHPSBLBS-UHFFFAOYSA-N 0 0 307.350 0.612 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)c1cccc(Cl)c1N ZINC000230978546 1180554996 /nfs/dbraw/zinc/55/49/96/1180554996.db2.gz GBWACJFIEAJQIO-UHFFFAOYSA-N 0 0 305.787 0.591 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)Nc1cnn(-c2ncccn2)c1 ZINC000157016663 1180559633 /nfs/dbraw/zinc/55/96/33/1180559633.db2.gz PEQDFEIISDTXFO-UHFFFAOYSA-N 0 0 310.321 0.770 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)CCn2cccn2)CC1 ZINC000162233391 1182170281 /nfs/dbraw/zinc/17/02/81/1182170281.db2.gz BEWDAKGDQXDCDP-UHFFFAOYSA-N 0 0 308.382 0.417 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)NCc2cnccn2)cc1 ZINC000242809400 1182617619 /nfs/dbraw/zinc/61/76/19/1182617619.db2.gz FIOYJSPTFMGOHV-UHFFFAOYSA-N 0 0 307.335 0.446 10 0 DCAERN COCCOCC(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000169875556 1183616401 /nfs/dbraw/zinc/61/64/01/1183616401.db2.gz DTLKWWAUMJCQKA-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN COCCOCC(=O)NCCNC(=O)c1ccc(F)cc1F ZINC000169920030 1183623330 /nfs/dbraw/zinc/62/33/30/1183623330.db2.gz RZSVWFWFDZCEQU-UHFFFAOYSA-N 0 0 316.304 0.474 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCCc1nc(C)cs1 ZINC000176378695 1184167196 /nfs/dbraw/zinc/16/71/96/1184167196.db2.gz AQTMDIAJALPTTD-UHFFFAOYSA-N 0 0 319.452 0.782 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000186755504 1187415859 /nfs/dbraw/zinc/41/58/59/1187415859.db2.gz RTBVCWOOYFYGNG-GFCCVEGCSA-N 0 0 302.334 0.638 10 0 DCAERN COC[C@@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000189512040 1187898439 /nfs/dbraw/zinc/89/84/39/1187898439.db2.gz WJOXZGPFDPMBPG-SNVBAGLBSA-N 0 0 302.334 0.817 10 0 DCAERN CC(=O)N1CCC(C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000195038029 1188197861 /nfs/dbraw/zinc/19/78/61/1188197861.db2.gz AFAJNBKZNQIWJF-UHFFFAOYSA-N 0 0 317.393 0.384 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)nn2)C1 ZINC000400193713 1189976876 /nfs/dbraw/zinc/97/68/76/1189976876.db2.gz NJXAIFLFMLKFHU-MRVPVSSYSA-N 0 0 318.786 0.284 10 0 DCAERN COc1cccc(O)c1C(=O)NCCCNS(C)(=O)=O ZINC000405218838 1190274868 /nfs/dbraw/zinc/27/48/68/1190274868.db2.gz AJZPGOPXFKPWSK-UHFFFAOYSA-N 0 0 302.352 0.070 10 0 DCAERN CC(C)OC(=O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000308765151 1190386663 /nfs/dbraw/zinc/38/66/63/1190386663.db2.gz NEUXJKKHJGMAAJ-JTQLQIEISA-N 0 0 300.380 0.936 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316181108 1190412933 /nfs/dbraw/zinc/41/29/33/1190412933.db2.gz QCLZDOCFMKIFTA-WRWORJQWSA-N 0 0 316.151 0.580 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)N[C@@H]1COC[C@H]1O ZINC000323146860 1190445230 /nfs/dbraw/zinc/44/52/30/1190445230.db2.gz DFEORAUYBADBGJ-NXEZZACHSA-N 0 0 319.130 0.660 10 0 DCAERN CCc1nnc(CNc2nc(N)nc(C(F)(F)F)n2)s1 ZINC000392008303 1190701255 /nfs/dbraw/zinc/70/12/55/1190701255.db2.gz CXOBEFFZYPOSMB-UHFFFAOYSA-N 0 0 305.289 0.751 10 0 DCAERN Cc1cccnc1/C=C\C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000588527388 747404293 /nfs/dbraw/zinc/40/42/93/747404293.db2.gz OFYJHXVKNSUDPY-WAYWQWQTSA-N 0 0 309.391 0.411 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@@H](C)[C@H]1CO ZINC000588553610 747435402 /nfs/dbraw/zinc/43/54/02/747435402.db2.gz DJQAXWUXNDDYGN-MBNYWOFBSA-N 0 0 306.410 0.917 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCOc1ncccc1Cl ZINC000153462921 771773715 /nfs/dbraw/zinc/77/37/15/771773715.db2.gz NTTFLQRNLGDZSX-JTQLQIEISA-N 0 0 314.773 0.923 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C(=O)[O-])s2)C1 ZINC000400183579 774022095 /nfs/dbraw/zinc/02/20/95/774022095.db2.gz BKLZLSPRKUJKNZ-SECBINFHSA-N 0 0 318.420 0.960 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NCc2nc(Br)c[nH]2)C1 ZINC000400298021 774027114 /nfs/dbraw/zinc/02/71/14/774027114.db2.gz OCMKCYUBNSFMFU-SSDOTTSWSA-N 0 0 323.216 0.296 10 0 DCAERN O=S(=O)(NCCCN1CCOCC1)c1cccnc1F ZINC000401850359 774068547 /nfs/dbraw/zinc/06/85/47/774068547.db2.gz WLAWQQGJOUZWEN-UHFFFAOYSA-N 0 0 303.359 0.221 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)c2cccnc2F)CC1 ZINC000401937959 774071939 /nfs/dbraw/zinc/07/19/39/774071939.db2.gz NJVDZQFBWQKKRT-UHFFFAOYSA-N 0 0 302.327 0.794 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)c2cccnc2F)CC1 ZINC000401949827 774072189 /nfs/dbraw/zinc/07/21/89/774072189.db2.gz UCICWNJJMMYDTP-UHFFFAOYSA-N 0 0 301.343 0.510 10 0 DCAERN O=S(=O)(NCc1cc(Br)cs1)C1C[NH2+]C1 ZINC000405151282 774151750 /nfs/dbraw/zinc/15/17/50/774151750.db2.gz FKXVQFRUYHUVCD-UHFFFAOYSA-N 0 0 311.226 0.902 10 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SYSCWJMRHGUKCU-GFQSEFKGSA-N 0 0 300.424 0.963 10 0 DCAERN Cn1cnc2c1c(=O)n(CCCSc1ncc[nH]1)c(=O)n2C ZINC000079003925 185145314 /nfs/dbraw/zinc/14/53/14/185145314.db2.gz OONHTUQVLXBTPI-UHFFFAOYSA-N 0 0 320.378 0.339 10 0 DCAERN CC[C@@]1(C)C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000177301205 529534687 /nfs/dbraw/zinc/53/46/87/529534687.db2.gz VOOLJPJHOXGHHN-DYVFJYSZSA-N 0 0 321.421 0.716 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C1=NN(C)C(=O)CC1 ZINC000088198194 185241751 /nfs/dbraw/zinc/24/17/51/185241751.db2.gz SFUOITXLEDQHOA-SECBINFHSA-N 0 0 304.354 0.400 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1scnc1C1CC1 ZINC000090022835 185278505 /nfs/dbraw/zinc/27/85/05/185278505.db2.gz QVVYCGCWYBKTFA-NSHDSACASA-N 0 0 311.407 0.443 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2ccc(C)cn2c1=O)C(C)C ZINC000178847458 529898619 /nfs/dbraw/zinc/89/86/19/529898619.db2.gz XUAZIVAZJQSAEO-ZDUSSCGKSA-N 0 0 316.361 0.503 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000102751680 185420145 /nfs/dbraw/zinc/42/01/45/185420145.db2.gz IVDMXZHCHVYXBT-RYUDHWBXSA-N 0 0 318.439 0.704 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C)c(F)c1)C(C)C ZINC000179082893 529895908 /nfs/dbraw/zinc/89/59/08/529895908.db2.gz BNLUWABOALNVMV-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)c1cncc(C(N)=O)n1 ZINC000176929438 529960967 /nfs/dbraw/zinc/96/09/67/529960967.db2.gz PMKBNVARIXNRLU-ZDUSSCGKSA-N 0 0 316.361 0.589 10 0 DCAERN CCC1(CC)CN(C(=O)C2(NC(N)=O)CC2)CC[S@@]1=O ZINC000408276324 282356881 /nfs/dbraw/zinc/35/68/81/282356881.db2.gz GYFSSTHMSACMJK-HXUWFJFHSA-N 0 0 301.412 0.337 10 0 DCAERN CCC1(CC)CN(C(=O)C2(S(C)(=O)=O)CC2)CC[S@@]1=O ZINC000408205367 282357075 /nfs/dbraw/zinc/35/70/75/282357075.db2.gz XNOSCGCNQPFTQW-LJQANCHMSA-N 0 0 321.464 0.713 10 0 DCAERN NC(=O)c1cnc(N2CCO[C@H](Cn3cccn3)C2)c(Cl)c1 ZINC000108949844 185542484 /nfs/dbraw/zinc/54/24/84/185542484.db2.gz CMCYZNVQTSWDHE-NSHDSACASA-N 0 0 321.768 0.936 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000177305679 295750558 /nfs/dbraw/zinc/75/05/58/295750558.db2.gz JMXFURMAZUFYDY-KCJUWKMLSA-N 0 0 319.287 0.822 10 0 DCAERN COC[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)[C@@H]1CCCO1 ZINC000279794167 215152622 /nfs/dbraw/zinc/15/26/22/215152622.db2.gz VXDRUHBQYAIZCB-IHRRRGAJSA-N 0 0 322.409 0.939 10 0 DCAERN O=C(N[C@@H]1CCc2ccccc2C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000268152056 295795280 /nfs/dbraw/zinc/79/52/80/295795280.db2.gz WZUGCEXXPPGFEY-HUUCEWRRSA-N 0 0 314.389 0.963 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)NCC(F)(F)F)CC2)C1=O ZINC000408046698 282652017 /nfs/dbraw/zinc/65/20/17/282652017.db2.gz CSMDADBWQGPFIG-UHFFFAOYSA-N 0 0 308.260 0.275 10 0 DCAERN C[C@H]1NC(C(=O)N[C@H]2CCCOC2)=NN(c2ccccc2)C1=O ZINC000170935365 197854771 /nfs/dbraw/zinc/85/47/71/197854771.db2.gz WYJUWORBHAPPBA-NEPJUHHUSA-N 0 0 316.361 0.620 10 0 DCAERN O=C(c1cn(-c2ccccc2)nn1)N1Cc2cnn(CCO)c2C1 ZINC000072129744 191045579 /nfs/dbraw/zinc/04/55/79/191045579.db2.gz CCHNKSVOVHZEFS-UHFFFAOYSA-N 0 0 324.344 0.612 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@H](C)N(C)C3=O)C2)n(C)n1 ZINC000280030422 215323580 /nfs/dbraw/zinc/32/35/80/215323580.db2.gz IAGPNBNECUEIJE-RYUDHWBXSA-N 0 0 305.382 0.980 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171486497 186167442 /nfs/dbraw/zinc/16/74/42/186167442.db2.gz URMKNLBWLFAFQK-GXSJLCMTSA-N 0 0 300.384 0.021 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000177892818 186199912 /nfs/dbraw/zinc/19/99/12/186199912.db2.gz UHKREICWBCTAAY-GFCCVEGCSA-N 0 0 317.267 0.854 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1Cl ZINC000179686039 186204872 /nfs/dbraw/zinc/20/48/72/186204872.db2.gz JKDNTBXQUTYUOR-VIFPVBQESA-N 0 0 322.745 0.354 10 0 DCAERN CCCc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000179686270 186204905 /nfs/dbraw/zinc/20/49/05/186204905.db2.gz IQQBCNFWHGFKJO-ZDUSSCGKSA-N 0 0 312.391 0.514 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N1CC[C@H](N2CCOCC2)C1 ZINC000188042054 295814881 /nfs/dbraw/zinc/81/48/81/295814881.db2.gz ODOAOZRABYXHPR-YJNKXOJESA-N 0 0 309.410 0.670 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172178537 198052328 /nfs/dbraw/zinc/05/23/28/198052328.db2.gz VCEDIMKHVLBRKN-OLZOCXBDSA-N 0 0 319.409 0.930 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc(CO)c(F)c1 ZINC000172258915 198066612 /nfs/dbraw/zinc/06/66/12/198066612.db2.gz QNUZOHAPANYIRG-VIFPVBQESA-N 0 0 318.370 0.550 10 0 DCAERN CN1C[C@@H](NC(=O)NCCc2cccc(C(N)=O)c2)CCC1=O ZINC000172372420 198087100 /nfs/dbraw/zinc/08/71/00/198087100.db2.gz JRAMKWSLRWYHNI-ZDUSSCGKSA-N 0 0 318.377 0.248 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000172457106 198099137 /nfs/dbraw/zinc/09/91/37/198099137.db2.gz QNVZIQGYKVWEAH-GFCCVEGCSA-N 0 0 302.400 0.055 10 0 DCAERN CCOc1ccccc1OCCn1nc(C(N)=O)ccc1=O ZINC000172921987 198167749 /nfs/dbraw/zinc/16/77/49/198167749.db2.gz FHBQSNCGZYWUNK-UHFFFAOYSA-N 0 0 303.318 0.820 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000172962998 198170615 /nfs/dbraw/zinc/17/06/15/198170615.db2.gz QHORXSNPKQBQKK-GFCCVEGCSA-N 0 0 317.345 0.258 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000172962992 198171159 /nfs/dbraw/zinc/17/11/59/198171159.db2.gz QHORXSNPKQBQKK-LBPRGKRZSA-N 0 0 317.345 0.258 10 0 DCAERN Cc1ccc(C)c(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000173083162 198183632 /nfs/dbraw/zinc/18/36/32/198183632.db2.gz OHXNINBWWXXFFF-UHFFFAOYSA-N 0 0 301.346 0.882 10 0 DCAERN C[C@H]1CC[C@H](C)N(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000072897137 191249662 /nfs/dbraw/zinc/24/96/62/191249662.db2.gz CZWCUDOQBAZPQD-UWVGGRQHSA-N 0 0 320.393 0.757 10 0 DCAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000173508590 198222672 /nfs/dbraw/zinc/22/26/72/198222672.db2.gz HRCBEDZBNSCTHR-CHWSQXEVSA-N 0 0 316.357 0.910 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173801420 198253623 /nfs/dbraw/zinc/25/36/23/198253623.db2.gz NEGRTSNXJCGMKB-RISCZKNCSA-N 0 0 306.410 0.830 10 0 DCAERN COc1ccc(N[C@H](C)C(=O)N(C)CC(=O)NC2CC2)cn1 ZINC000173853628 198261426 /nfs/dbraw/zinc/26/14/26/198261426.db2.gz NBJWGMQOTBOJCL-SNVBAGLBSA-N 0 0 306.366 0.628 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1N1CCOCC1 ZINC000173973429 198275167 /nfs/dbraw/zinc/27/51/67/198275167.db2.gz HUFQETAETSPBFZ-IAQYHMDHSA-N 0 0 315.377 0.751 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2ccc(C=O)cc2)C[C@@H]1C ZINC000174355257 198324313 /nfs/dbraw/zinc/32/43/13/198324313.db2.gz ZJBOGVSWWHWFOM-UONOGXRCSA-N 0 0 320.389 0.791 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)C1CCOCC1 ZINC000182155690 199394592 /nfs/dbraw/zinc/39/45/92/199394592.db2.gz VZJSEPOPLNMZTL-FPMFFAJLSA-N 0 0 312.410 0.801 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000332884576 291003950 /nfs/dbraw/zinc/00/39/50/291003950.db2.gz FOZHUXCGMISTSE-USZNOCQGSA-N 0 0 302.396 0.382 10 0 DCAERN CN1CC[C@H](NC(=O)c2cnn(CCC(F)(F)F)c2)C1=O ZINC000182791764 199490834 /nfs/dbraw/zinc/49/08/34/199490834.db2.gz MIZDEQIWFLWEEC-VIFPVBQESA-N 0 0 304.272 0.796 10 0 DCAERN C[NH+](C)CCCn1c(=O)c2ccccc2n(CC(=O)[O-])c1=O ZINC000073658575 191337692 /nfs/dbraw/zinc/33/76/92/191337692.db2.gz TVZONFMSNWGTHF-UHFFFAOYSA-N 0 0 305.334 0.200 10 0 DCAERN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)n1ccnc1 ZINC000073711695 191346496 /nfs/dbraw/zinc/34/64/96/191346496.db2.gz YZFGYELGMUFIBV-UHFFFAOYSA-N 0 0 321.358 0.593 10 0 DCAERN Cn1cc(N2CCN(C(=O)NCc3ccnn3C)CC2)cn1 ZINC000074853489 191372924 /nfs/dbraw/zinc/37/29/24/191372924.db2.gz DZYNAJCKGXGBDV-UHFFFAOYSA-N 0 0 303.370 0.185 10 0 DCAERN O=C(NCCCN1CCCC1=O)C(=O)Nc1ccccc1F ZINC000005184064 181214656 /nfs/dbraw/zinc/21/46/56/181214656.db2.gz OGMDUJGMXPGUID-UHFFFAOYSA-N 0 0 307.325 0.893 10 0 DCAERN COC(=O)N[C@@H](C(=O)N[C@H]1CCCn2nc(C)nc21)C(C)C ZINC000081579290 192295333 /nfs/dbraw/zinc/29/53/33/192295333.db2.gz QLVFLBIIELXKKK-WDEREUQCSA-N 0 0 309.370 0.918 10 0 DCAERN CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000236883999 202051882 /nfs/dbraw/zinc/05/18/82/202051882.db2.gz IJLPQXBCKUEMTQ-UHFFFAOYSA-N 0 0 316.405 0.549 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CCS[C@@H](C)C2)c(=O)c1 ZINC000280413722 215608051 /nfs/dbraw/zinc/60/80/51/215608051.db2.gz HLLKMWRRILPGGG-WFASDCNBSA-N 0 0 310.419 0.872 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NCCCc1ccccn1 ZINC000178596963 198894056 /nfs/dbraw/zinc/89/40/56/198894056.db2.gz YGRLTPMZWHXPGP-UHFFFAOYSA-N 0 0 311.407 0.556 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000329168969 283288760 /nfs/dbraw/zinc/28/87/60/283288760.db2.gz JKINNQZWJAMALI-LLVKDONJSA-N 0 0 309.366 0.907 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000179253980 199005918 /nfs/dbraw/zinc/00/59/18/199005918.db2.gz LOPNWQOTPYRGQT-KBMXLJTQSA-N 0 0 304.390 0.899 10 0 DCAERN NC(=O)N1CCCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000111687072 283299268 /nfs/dbraw/zinc/29/92/68/283299268.db2.gz VXWBGLZQUMWRKW-UHFFFAOYSA-N 0 0 300.366 0.854 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000179441846 199035954 /nfs/dbraw/zinc/03/59/54/199035954.db2.gz BBACLDVDRGYKNQ-ZYHUDNBSSA-N 0 0 309.370 0.302 10 0 DCAERN CCCN1C(=O)CC[C@@H](C(=O)N2CC(O)C2)[C@@H]1c1cncn1C ZINC000373535462 283311075 /nfs/dbraw/zinc/31/10/75/283311075.db2.gz LVDJSRGSUPPZDN-IUODEOHRSA-N 0 0 320.393 0.313 10 0 DCAERN Cc1cc(C)c(OCC(=O)N2CCOC[C@H]2C(N)=O)c(C)c1 ZINC000180219611 199131878 /nfs/dbraw/zinc/13/18/78/199131878.db2.gz SVKRFOVMTBGAEY-ZDUSSCGKSA-N 0 0 306.362 0.703 10 0 DCAERN CCn1c(C)nnc1COc1ccc(CC(=O)NCCO)cc1 ZINC000180379170 199152444 /nfs/dbraw/zinc/15/24/44/199152444.db2.gz UFTHHERSONOQHT-UHFFFAOYSA-N 0 0 318.377 0.836 10 0 DCAERN CCCN(CCO)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000180767171 199205965 /nfs/dbraw/zinc/20/59/65/199205965.db2.gz IUPQBGNBUXFKGV-UKRRQHHQSA-N 0 0 305.378 0.832 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H]1COc2ccccc21 ZINC000181129591 199255357 /nfs/dbraw/zinc/25/53/57/199255357.db2.gz FGSULRZILLPJGW-GFCCVEGCSA-N 0 0 315.333 0.572 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)CN1CC(=O)NC1=O)[C@@H](C)C2 ZINC000181113178 199254623 /nfs/dbraw/zinc/25/46/23/199254623.db2.gz JBVDCVXVMFLEOA-BONVTDFDSA-N 0 0 301.346 0.896 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000117799996 545736433 /nfs/dbraw/zinc/73/64/33/545736433.db2.gz PVYMJRXUARNZHN-KBPBESRZSA-N 0 0 309.366 0.164 10 0 DCAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000151510726 237000504 /nfs/dbraw/zinc/00/05/04/237000504.db2.gz LEZAJFKXGQYPLK-KGLIPLIRSA-N 0 0 323.418 0.446 10 0 DCAERN O=C(NCC1(CO)CCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000163321495 237110083 /nfs/dbraw/zinc/11/00/83/237110083.db2.gz WKRAHPMZVJKGRI-UHFFFAOYSA-N 0 0 317.345 0.442 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000163171928 237111742 /nfs/dbraw/zinc/11/17/42/237111742.db2.gz PYVJKWPYNIQUEN-WDEREUQCSA-N 0 0 312.457 0.376 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000163172025 237112167 /nfs/dbraw/zinc/11/21/67/237112167.db2.gz PYVJKWPYNIQUEN-QWRGUYRKSA-N 0 0 312.457 0.376 10 0 DCAERN COCCc1nsc(N2CCN(CCOC)[C@@H](C)C2)n1 ZINC000176922038 237206202 /nfs/dbraw/zinc/20/62/02/237206202.db2.gz FYLJVGCJFPATSQ-NSHDSACASA-N 0 0 300.428 0.884 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)NCc2cscn2)C1 ZINC000187464136 200115947 /nfs/dbraw/zinc/11/59/47/200115947.db2.gz POLAXNYWKUZDOA-UHFFFAOYSA-N 0 0 318.424 0.224 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2nc(N(C)C)no2)C1 ZINC000188059638 237365634 /nfs/dbraw/zinc/36/56/34/237365634.db2.gz GISRPYBANPVUOJ-SECBINFHSA-N 0 0 303.388 0.202 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1C ZINC000187830052 200163204 /nfs/dbraw/zinc/16/32/04/200163204.db2.gz YKJBLCZCUHBONA-DZGCQCFKSA-N 0 0 320.389 0.641 10 0 DCAERN COCCCN(CCO)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000189032781 237387317 /nfs/dbraw/zinc/38/73/17/237387317.db2.gz XCAMECGEVFTQQX-UHFFFAOYSA-N 0 0 322.405 0.891 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCN(CCO)[C@@H](C)C2)c1C ZINC000188716219 200293406 /nfs/dbraw/zinc/29/34/06/200293406.db2.gz WSNSGUWXTXDRIM-JTQLQIEISA-N 0 0 313.423 0.052 10 0 DCAERN O=C(NC1CC1)c1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000154282757 291212149 /nfs/dbraw/zinc/21/21/49/291212149.db2.gz UQCRQGSJMFWOLK-HNNXBMFYSA-N 0 0 320.389 0.651 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000154383356 291213185 /nfs/dbraw/zinc/21/31/85/291213185.db2.gz NUWHILWLXVRXPT-NSHDSACASA-N 0 0 307.281 0.480 10 0 DCAERN CCCCOCCNC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155366433 291219326 /nfs/dbraw/zinc/21/93/26/291219326.db2.gz MIELAZJGJYQMLR-GFCCVEGCSA-N 0 0 306.428 0.038 10 0 DCAERN CC[C@@H](O)CCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000157857192 291229601 /nfs/dbraw/zinc/22/96/01/291229601.db2.gz PKTZXHQYOIMZIF-GFCCVEGCSA-N 0 0 315.391 0.841 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000158829532 291233068 /nfs/dbraw/zinc/23/30/68/291233068.db2.gz OUFBGIBKHXDVQA-BDAKNGLRSA-N 0 0 314.363 0.313 10 0 DCAERN Cc1cc(F)ccc1CN1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000275758349 238312065 /nfs/dbraw/zinc/31/20/65/238312065.db2.gz QORHZEYVYFGBHN-HNNXBMFYSA-N 0 0 309.385 0.752 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)cc1F ZINC000163634932 291247044 /nfs/dbraw/zinc/24/70/44/291247044.db2.gz ZPHOHRONUCXHPA-UHFFFAOYSA-N 0 0 309.341 0.954 10 0 DCAERN O=C(Cc1cccnc1)N1CCN(c2cncc3ncnn32)CC1 ZINC000328654482 291259989 /nfs/dbraw/zinc/25/99/89/291259989.db2.gz XMTFMBIKYOSNQU-UHFFFAOYSA-N 0 0 323.360 0.411 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000566458747 291303776 /nfs/dbraw/zinc/30/37/76/291303776.db2.gz ZHZDAJQHLRHJHJ-DGCLKSJQSA-N 0 0 324.381 0.589 10 0 DCAERN COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ocnc1C)C2 ZINC000248022188 202712853 /nfs/dbraw/zinc/71/28/53/202712853.db2.gz JKBQWODQDYVHAH-JTQLQIEISA-N 0 0 314.363 0.259 10 0 DCAERN COc1ccnc(N2CC[C@H](N(C)Cc3ncccn3)C2)n1 ZINC000275503300 212377859 /nfs/dbraw/zinc/37/78/59/212377859.db2.gz CCVHADIJMOXWKL-LBPRGKRZSA-N 0 0 300.366 0.986 10 0 DCAERN COCCNC(=O)Cn1nc(C)n2c(cc3ccccc32)c1=O ZINC000006803295 181390930 /nfs/dbraw/zinc/39/09/30/181390930.db2.gz HRYWEXCURGBNPC-UHFFFAOYSA-N 0 0 314.345 0.720 10 0 DCAERN CNC(=O)CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434774098 240449630 /nfs/dbraw/zinc/44/96/30/240449630.db2.gz LOFXQKXKVVQFPI-MRVPVSSYSA-N 0 0 324.406 0.411 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCC(=O)N[C@H]2C)n1 ZINC000442122399 240541751 /nfs/dbraw/zinc/54/17/51/240541751.db2.gz XCEVPALSXRFCGL-JQWIXIFHSA-N 0 0 306.366 0.599 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3C[C@@H](F)C[C@@H]3CO)cc12 ZINC000444274533 240564410 /nfs/dbraw/zinc/56/44/10/240564410.db2.gz CDYSFDDSQJULQR-DTWKUNHWSA-N 0 0 315.326 0.625 10 0 DCAERN CN(CC1CC(O)C1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000091490017 193063163 /nfs/dbraw/zinc/06/31/63/193063163.db2.gz HAZTXKQPKDYSQE-UHFFFAOYSA-N 0 0 313.375 0.849 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCC(C)(C)OC)CC12COC2 ZINC000454573581 240795097 /nfs/dbraw/zinc/79/50/97/240795097.db2.gz WDFJHZZVPVUEJY-NSHDSACASA-N 0 0 314.382 0.633 10 0 DCAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1-c1ccccc1 ZINC000091782175 193106825 /nfs/dbraw/zinc/10/68/25/193106825.db2.gz LLJOFXQEECCQIN-AWEZNQCLSA-N 0 0 314.345 0.507 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCCOc1ccccc1F ZINC000091783005 193107213 /nfs/dbraw/zinc/10/72/13/193107213.db2.gz ZIWCIRNCNSGJPK-LBPRGKRZSA-N 0 0 310.325 0.697 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCCOCCc1ccccc1 ZINC000091783241 193107375 /nfs/dbraw/zinc/10/73/75/193107375.db2.gz PMXYNNZSOWUGMD-OAHLLOKOSA-N 0 0 320.389 0.739 10 0 DCAERN C[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783709 193107433 /nfs/dbraw/zinc/10/74/33/193107433.db2.gz YIQQFPXQUXMJEZ-TZMCWYRMSA-N 0 0 306.362 0.804 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl ZINC000091784093 193107585 /nfs/dbraw/zinc/10/75/85/193107585.db2.gz MMJFAVYYOWZBNK-NSHDSACASA-N 0 0 312.753 0.822 10 0 DCAERN C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(N)=O ZINC000091784863 193107815 /nfs/dbraw/zinc/10/78/15/193107815.db2.gz GDHCWKJZXRQUTQ-ONGXEEELSA-N 0 0 312.753 0.820 10 0 DCAERN O=C(NCCc1cccc(F)c1)NC[C@H](O)Cn1ccnn1 ZINC000457513326 241011438 /nfs/dbraw/zinc/01/14/38/241011438.db2.gz OXZQQCLKFVIURI-ZDUSSCGKSA-N 0 0 307.329 0.320 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000247017645 296091669 /nfs/dbraw/zinc/09/16/69/296091669.db2.gz RVYZJSAARWRTQF-IACUBPJLSA-N 0 0 318.377 0.933 10 0 DCAERN O=C(NC[C@H]1CCc2nccn2C1)N[C@H]1CCCCNC1=O ZINC000275225654 212207468 /nfs/dbraw/zinc/20/74/68/212207468.db2.gz AWPJBISTTCMGIY-NEPJUHHUSA-N 0 0 305.382 0.413 10 0 DCAERN Cn1c(CN2CCOC[C@@H]2C(N)=O)nnc1-c1ccccc1 ZINC000092228345 193176156 /nfs/dbraw/zinc/17/61/56/193176156.db2.gz MBANOWDIHUWAAZ-GFCCVEGCSA-N 0 0 301.350 0.168 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)NCc1cccc(Cl)c1 ZINC000092231190 193177661 /nfs/dbraw/zinc/17/76/61/193177661.db2.gz NMYVLDYOTLGDQG-GFCCVEGCSA-N 0 0 311.769 0.142 10 0 DCAERN CCOC(=O)C1(O)CCN(c2nccn3nc(C)cc23)CC1 ZINC000274976478 212054202 /nfs/dbraw/zinc/05/42/02/212054202.db2.gz YQAXWQIJGYVADP-UHFFFAOYSA-N 0 0 304.350 0.932 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1 ZINC000096088893 193532189 /nfs/dbraw/zinc/53/21/89/193532189.db2.gz BZWRWVZSSFUBAZ-RDBSUJKOSA-N 0 0 301.346 0.967 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408017153 296168842 /nfs/dbraw/zinc/16/88/42/296168842.db2.gz LFXMKLJYWQLOCH-PWSUYJOCSA-N 0 0 304.412 0.318 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000008145092 181530220 /nfs/dbraw/zinc/53/02/20/181530220.db2.gz NFGGXZYQJLHYIJ-SECBINFHSA-N 0 0 317.725 0.621 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000264900475 204253985 /nfs/dbraw/zinc/25/39/85/204253985.db2.gz NCULNELFTSQKET-CMPLNLGQSA-N 0 0 315.381 0.703 10 0 DCAERN Cc1nc2ccnn2c(C)c1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282528906 217065222 /nfs/dbraw/zinc/06/52/22/217065222.db2.gz ZNKCQRLAYIEFTL-SECBINFHSA-N 0 0 301.350 0.649 10 0 DCAERN CCn1cc(CNC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)cn1 ZINC000288296599 220070546 /nfs/dbraw/zinc/07/05/46/220070546.db2.gz WVROOGWIXXJTIM-CHWSQXEVSA-N 0 0 305.382 0.665 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000266108585 205103443 /nfs/dbraw/zinc/10/34/43/205103443.db2.gz MGPSBKJCNUSWTE-STQMWFEESA-N 0 0 316.357 0.980 10 0 DCAERN [NH3+]CCS[C@@H]1CC(=O)N(c2ccc(CC(=O)[O-])cc2)C1=O ZINC000016900269 182063233 /nfs/dbraw/zinc/06/32/33/182063233.db2.gz YOEFNVUBOYJARW-LLVKDONJSA-N 0 0 308.359 0.638 10 0 DCAERN O=C(CNC(=O)NCCOCC1CCC1)NCC(F)(F)F ZINC000572453148 291568521 /nfs/dbraw/zinc/56/85/21/291568521.db2.gz NUFSJCYDYGJGNE-UHFFFAOYSA-N 0 0 311.304 0.781 10 0 DCAERN C[C@@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408427082 296201212 /nfs/dbraw/zinc/20/12/12/296201212.db2.gz MLLQOKNUCYUZKT-RGDJUOJXSA-N 0 0 320.455 0.822 10 0 DCAERN CC(=O)N[C@H]1[C@H](O)[C@H](F)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000022050112 182306519 /nfs/dbraw/zinc/30/65/19/182306519.db2.gz HAJHAJQQMKGKKF-ZQNQSHIBSA-N 0 0 313.325 0.124 10 0 DCAERN CC(C)(C)NC(=O)CN1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000022942592 182343568 /nfs/dbraw/zinc/34/35/68/182343568.db2.gz LENYYEXASPAUKL-UHFFFAOYSA-N 0 0 312.458 0.433 10 0 DCAERN CC(C)CN(C)S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000037109078 182868053 /nfs/dbraw/zinc/86/80/53/182868053.db2.gz OODYQRJYBAUZER-UHFFFAOYSA-N 0 0 306.409 0.611 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1NC(C)=O ZINC000039048330 183014021 /nfs/dbraw/zinc/01/40/21/183014021.db2.gz XCDVOAZVARITEI-VUVWGQCBSA-N 0 0 323.345 0.338 10 0 in-vitro DCAERN COC(=O)CCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000040411419 183063068 /nfs/dbraw/zinc/06/30/68/183063068.db2.gz KLBPAYQMXRONOW-UHFFFAOYSA-N 0 0 320.392 0.096 10 0 DCAERN Cc1ccc(NC2CCS(=O)CC2)cc1S(N)(=O)=O ZINC000042335978 183255462 /nfs/dbraw/zinc/25/54/62/183255462.db2.gz FKYPYSMYAUJJKX-UHFFFAOYSA-N 0 0 302.421 0.965 10 0 DCAERN CNS(=O)(=O)c1cccc(NC2CCS(=O)CC2)c1 ZINC000042336732 183256086 /nfs/dbraw/zinc/25/60/86/183256086.db2.gz RFNNOVLGUCPDQP-UHFFFAOYSA-N 0 0 302.421 0.918 10 0 DCAERN CCN(CC)C(=O)CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000105786195 194128261 /nfs/dbraw/zinc/12/82/61/194128261.db2.gz ZBDUAKVJNZUYOH-CYBMUJFWSA-N 0 0 321.425 0.742 10 0 DCAERN CCn1cc(CN2CCCN(C(=O)c3cnn(C)c3)CC2)cn1 ZINC000105828878 194139168 /nfs/dbraw/zinc/13/91/68/194139168.db2.gz SLTDAEJTVQGNKN-UHFFFAOYSA-N 0 0 316.409 0.985 10 0 DCAERN COCCN1CCN(CC(=O)NC(=O)NCC(C)C)C[C@@H]1C ZINC000105831618 194139952 /nfs/dbraw/zinc/13/99/52/194139952.db2.gz HCUIPNMTBNSNBX-ZDUSSCGKSA-N 0 0 314.430 0.121 10 0 DCAERN Cc1ncc(CN2CCN(Cc3nc(N)nc(N)n3)CC2)s1 ZINC000105813855 194134755 /nfs/dbraw/zinc/13/47/55/194134755.db2.gz IIJPRWBOKCPDKU-UHFFFAOYSA-N 0 0 320.426 0.119 10 0 DCAERN CCS(=O)(=O)CCOc1ccc(F)cc1S(N)(=O)=O ZINC000050428474 183786632 /nfs/dbraw/zinc/78/66/32/183786632.db2.gz KJPLIPCJJCBEFX-UHFFFAOYSA-N 0 0 311.356 0.287 10 0 DCAERN O=C(CN1CCCC[C@H]1CN1CCOCC1)NC(=O)NC1CC1 ZINC000109820087 194289619 /nfs/dbraw/zinc/28/96/19/194289619.db2.gz FUSYEBALLOQJKZ-AWEZNQCLSA-N 0 0 324.425 0.161 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000110822242 194361089 /nfs/dbraw/zinc/36/10/89/194361089.db2.gz FLHPGYXOVUIPPC-ZNLKAECVSA-N 0 0 309.387 0.861 10 0 DCAERN CCCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1 ZINC000110851203 194364083 /nfs/dbraw/zinc/36/40/83/194364083.db2.gz WLVSFMJVQWULNE-UHFFFAOYSA-N 0 0 314.411 0.972 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110881157 194366247 /nfs/dbraw/zinc/36/62/47/194366247.db2.gz KTPXMXZJFQOISV-JTQLQIEISA-N 0 0 318.420 0.868 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC000110903756 194367848 /nfs/dbraw/zinc/36/78/48/194367848.db2.gz NWNXRLWLIYLOFQ-QWHCGFSZSA-N 0 0 306.366 0.006 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111077759 194389335 /nfs/dbraw/zinc/38/93/35/194389335.db2.gz OMVCKGFLQVFUBU-CQSZACIVSA-N 0 0 320.393 0.417 10 0 DCAERN C[C@H](NC(=O)c1cc(N)c(F)cc1Br)C(N)=O ZINC000061079719 184161509 /nfs/dbraw/zinc/16/15/09/184161509.db2.gz ISKIZEZGUYLZBO-BYPYZUCNSA-N 0 0 304.119 0.774 10 0 DCAERN Cn1cc(CN2CCN(C(=O)c3ccco3)CC2)ccc1=O ZINC000065285900 184321771 /nfs/dbraw/zinc/32/17/71/184321771.db2.gz JUGCIBRPUZAWAP-UHFFFAOYSA-N 0 0 301.346 0.936 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)C[C@H](C)O1 ZINC000087042014 252589248 /nfs/dbraw/zinc/58/92/48/252589248.db2.gz WZLGWVTYZROVSP-TXEJJXNPSA-N 0 0 306.428 0.625 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCOC3)c2)no1 ZINC000178654713 252608872 /nfs/dbraw/zinc/60/88/72/252608872.db2.gz FHNQVICUFKJKDC-GFCCVEGCSA-N 0 0 316.317 0.889 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C[C@@H]1C ZINC000132340481 252592787 /nfs/dbraw/zinc/59/27/87/252592787.db2.gz GKUMCLCSOQSJMG-MNOVXSKESA-N 0 0 303.366 0.635 10 0 DCAERN CSc1ccc(N2CCN(c3cnn(C)c3)C(=O)C2)nn1 ZINC000301571678 532975012 /nfs/dbraw/zinc/97/50/12/532975012.db2.gz RGNQYOFMUSATQE-UHFFFAOYSA-N 0 0 304.379 0.785 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000228059643 291833727 /nfs/dbraw/zinc/83/37/27/291833727.db2.gz KXPHRPXOKBLPFM-SECBINFHSA-N 0 0 321.786 0.790 10 0 DCAERN O=S(=O)(c1cccc(F)c1F)N1CCN2CCOC[C@@H]2C1 ZINC000371953261 285048256 /nfs/dbraw/zinc/04/82/56/285048256.db2.gz KHJVQEGNWVGQQQ-JTQLQIEISA-N 0 0 318.345 0.670 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000408159767 291858254 /nfs/dbraw/zinc/85/82/54/291858254.db2.gz SGQOZRLGIDLCGX-JTQLQIEISA-N 0 0 303.380 0.365 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000340914196 253322409 /nfs/dbraw/zinc/32/24/09/253322409.db2.gz WBUYVDAFVKSLKZ-WDEREUQCSA-N 0 0 321.377 0.883 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000341145832 253350520 /nfs/dbraw/zinc/35/05/20/253350520.db2.gz SAVOLTGVAKETDA-NWDGAFQWSA-N 0 0 311.382 0.590 10 0 DCAERN O=C1NC[C@H]2CN(C[C@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459654 296384148 /nfs/dbraw/zinc/38/41/48/296384148.db2.gz YMUKOTIDTAYKPO-MNOVXSKESA-N 0 0 301.337 0.455 10 0 DCAERN O=C1N[C@@H](c2cc(O)ccc2Br)N2CCOC[C@H]12 ZINC000093884234 296388362 /nfs/dbraw/zinc/38/83/62/296388362.db2.gz NAGJCHFOPVPFPF-GHMZBOCLSA-N 0 0 313.151 0.984 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N1C[C@@H](F)C[C@H]1CO)c2=O ZINC000347398486 254154091 /nfs/dbraw/zinc/15/40/91/254154091.db2.gz NUYJEIIMQTVAOA-QWRGUYRKSA-N 0 0 305.309 0.548 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)COCCOc1ccccc1 ZINC000347260464 254142960 /nfs/dbraw/zinc/14/29/60/254142960.db2.gz NETJMWDGJDJDDZ-AAEUAGOBSA-N 0 0 310.325 0.506 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCCNC2=O)cc1 ZINC000347257459 254143171 /nfs/dbraw/zinc/14/31/71/254143171.db2.gz LBSWGQASFISTKA-HNNXBMFYSA-N 0 0 318.373 0.982 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000347704385 254180558 /nfs/dbraw/zinc/18/05/58/254180558.db2.gz IIRUNHCXCQFKNS-KRWDZBQOSA-N 0 0 319.405 0.583 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@]23CCOC3=O)C1 ZINC000249479421 296394871 /nfs/dbraw/zinc/39/48/71/296394871.db2.gz VCQONLBAHUPVMZ-DGCLKSJQSA-N 0 0 302.396 0.745 10 0 DCAERN Cc1ccc(SCC(=O)NC[C@@H](C)S(N)(=O)=O)cc1 ZINC000350619062 254319164 /nfs/dbraw/zinc/31/91/64/254319164.db2.gz HBYJFCLGXBPGNU-SNVBAGLBSA-N 0 0 302.421 0.880 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350622172 254320148 /nfs/dbraw/zinc/32/01/48/254320148.db2.gz YICNPNZVXRPLTL-MRVPVSSYSA-N 0 0 320.798 0.684 10 0 DCAERN Cn1ccnc1CN1C[C@H](F)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000351632901 254355084 /nfs/dbraw/zinc/35/50/84/254355084.db2.gz KXQMISNJGASUMJ-AGIUHOORSA-N 0 0 310.373 0.628 10 0 DCAERN Cc1nc2ccc(NC(=O)N3CC(=O)N(C)[C@@H](C)C3)cn2n1 ZINC000289716457 221175470 /nfs/dbraw/zinc/17/54/70/221175470.db2.gz PFCOSQMUNAMFJC-VIFPVBQESA-N 0 0 302.338 0.732 10 0 DCAERN CCOCC(=O)N1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000248266766 257107495 /nfs/dbraw/zinc/10/74/95/257107495.db2.gz FFADFOAQXCGJGI-ZIAGYGMSSA-N 0 0 303.362 0.535 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1 ZINC000249699735 257107515 /nfs/dbraw/zinc/10/75/15/257107515.db2.gz XDQLSLPASPDYKX-KGLIPLIRSA-N 0 0 323.418 0.997 10 0 DCAERN COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1ccc(C)nc1 ZINC000248128745 257108288 /nfs/dbraw/zinc/10/82/88/257108288.db2.gz XVHGFJXWHIMVJP-KGLIPLIRSA-N 0 0 303.362 0.852 10 0 DCAERN Cc1nnc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NC3CC3)C2)s1 ZINC000248045709 257110910 /nfs/dbraw/zinc/11/09/10/257110910.db2.gz VGZCGKXECRWILK-UTUOFQBUSA-N 0 0 308.407 0.966 10 0 DCAERN COc1cc(N2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NC3CC3)C2)ncn1 ZINC000247904509 257115533 /nfs/dbraw/zinc/11/55/33/257115533.db2.gz RWYFHZWCMUISQZ-AGIUHOORSA-N 0 0 318.377 0.605 10 0 DCAERN O=C([C@@H]1CCOC1)N1C[C@@H]2CN(c3cccnc3)C(=O)[C@@H]2C1 ZINC000247848482 257117385 /nfs/dbraw/zinc/11/73/85/257117385.db2.gz FTTVLUOOGQODIV-YRGRVCCFSA-N 0 0 301.346 0.539 10 0 DCAERN O=C(c1cccnc1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000253616351 257104409 /nfs/dbraw/zinc/10/44/09/257104409.db2.gz MBFSYAUBNGYVKW-TZMCWYRMSA-N 0 0 309.329 0.607 10 0 DCAERN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000253490338 257105638 /nfs/dbraw/zinc/10/56/38/257105638.db2.gz IGFURMKYWRABIT-CABCVRRESA-N 0 0 302.378 0.393 10 0 DCAERN Cc1cc2ncc(C(=O)N[C@H]3CS(=O)(=O)C3(C)C)c(C)n2n1 ZINC000521396464 257240531 /nfs/dbraw/zinc/24/05/31/257240531.db2.gz STYRTALJFWACEA-NSHDSACASA-N 0 0 322.390 0.652 10 0 DCAERN Cc1nc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)sc1C ZINC000074221713 184966159 /nfs/dbraw/zinc/96/61/59/184966159.db2.gz VEVYQTAUZXOTBJ-UHFFFAOYSA-N 0 0 310.379 0.707 10 0 DCAERN C[C@@H](NC(=O)c1cn(C)cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000179335569 533310779 /nfs/dbraw/zinc/31/07/79/533310779.db2.gz FCMFLQVJUSDLQJ-SECBINFHSA-N 0 0 308.363 0.559 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC1(CCO)CC1 ZINC000187976696 533452127 /nfs/dbraw/zinc/45/21/27/533452127.db2.gz FZDXBIDXUXMJKT-UHFFFAOYSA-N 0 0 304.350 0.869 10 0 DCAERN CCN1CN(C(=O)NCC(=O)N2CCc3ccccc32)CC1=O ZINC000189832643 335064184 /nfs/dbraw/zinc/06/41/84/335064184.db2.gz JAPPNEQECHXRBT-UHFFFAOYSA-N 0 0 316.361 0.407 10 0 DCAERN CN(CCn1cccn1)C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC000275614740 130348951 /nfs/dbraw/zinc/34/89/51/130348951.db2.gz VICXVMHXDRRPQO-LBPRGKRZSA-N 0 0 303.366 0.893 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NC(=O)[C@]3(C)CCCO3)C2)c1=O ZINC000275652370 130355449 /nfs/dbraw/zinc/35/54/49/130355449.db2.gz KPZWYLNONJEFOO-WBMJQRKESA-N 0 0 320.393 0.434 10 0 DCAERN CC1(C(=O)N2CCN(c3cncc4ncnn43)CC2)CCC1 ZINC000275788738 130386345 /nfs/dbraw/zinc/38/63/45/130386345.db2.gz UCQREFFEBUTTCZ-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000277020886 130572366 /nfs/dbraw/zinc/57/23/66/130572366.db2.gz MVNBFJZRWHEMOC-KGLIPLIRSA-N 0 0 320.393 0.801 10 0 DCAERN COCCNC(=O)c1ccc(N2CC(=O)N(C)[C@@H](C)C2)nc1 ZINC000283601606 131007189 /nfs/dbraw/zinc/00/71/89/131007189.db2.gz SZJTWIZEJBTBIW-NSHDSACASA-N 0 0 306.366 0.125 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@@H]1OC ZINC000283807423 131025204 /nfs/dbraw/zinc/02/52/04/131025204.db2.gz APJGIQZBIVPSCO-BETUJISGSA-N 0 0 307.350 0.751 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cc21 ZINC000284167709 131055799 /nfs/dbraw/zinc/05/57/99/131055799.db2.gz RJJHHXRXOSQDFP-LSDHHAIUSA-N 0 0 315.377 0.513 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000284230566 131061388 /nfs/dbraw/zinc/06/13/88/131061388.db2.gz VSMQUKGWIDYXHH-KBPBESRZSA-N 0 0 318.377 0.722 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000284583130 131094711 /nfs/dbraw/zinc/09/47/11/131094711.db2.gz LKQMBPZMMVEGKH-KBPBESRZSA-N 0 0 317.349 0.538 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)CC(=O)N1C ZINC000284641752 131099462 /nfs/dbraw/zinc/09/94/62/131099462.db2.gz KKAUQJRYAWGSAJ-SNVBAGLBSA-N 0 0 304.350 0.568 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cnc2N)C[C@H]1C(N)=O ZINC000284668573 131102822 /nfs/dbraw/zinc/10/28/22/131102822.db2.gz HLOHYWKSKGZBQC-HTRCEHHLSA-N 0 0 318.786 0.059 10 0 DCAERN Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c(F)cc1F ZINC000284909881 131121723 /nfs/dbraw/zinc/12/17/23/131121723.db2.gz IBLAXYSXOYIDIF-XCBNKYQSSA-N 0 0 322.308 0.860 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000284935697 131124339 /nfs/dbraw/zinc/12/43/39/131124339.db2.gz NWQKDWAVAZOXLI-SNVBAGLBSA-N 0 0 305.338 0.148 10 0 DCAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000285318009 131157766 /nfs/dbraw/zinc/15/77/66/131157766.db2.gz KPIQXQNAZZQUDD-PSASIEDQSA-N 0 0 320.393 0.982 10 0 DCAERN Cc1nc2cccc(C(=O)N3CCC[C@](O)(C(N)=O)C3)c2[nH]1 ZINC000285338683 131158812 /nfs/dbraw/zinc/15/88/12/131158812.db2.gz LYOSOBKHJONRBZ-OAHLLOKOSA-N 0 0 302.334 0.324 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cnn1C ZINC000285422512 131166453 /nfs/dbraw/zinc/16/64/53/131166453.db2.gz NHRHAGKZRGYXND-KBPBESRZSA-N 0 0 307.398 0.343 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@@H]21 ZINC000285450414 131169113 /nfs/dbraw/zinc/16/91/13/131169113.db2.gz JLEFFANPBSXLLS-GJZGRUSLSA-N 0 0 304.394 0.739 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450416 131169791 /nfs/dbraw/zinc/16/97/91/131169791.db2.gz JLEFFANPBSXLLS-HUUCEWRRSA-N 0 0 304.394 0.739 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC(N3CCNC3=O)C2)sc1C ZINC000296096415 131940728 /nfs/dbraw/zinc/94/07/28/131940728.db2.gz QUWJELPLBHBONF-UHFFFAOYSA-N 0 0 315.420 0.763 10 0 DCAERN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(C2CCOCC2)CC1 ZINC000366706788 132009036 /nfs/dbraw/zinc/00/90/36/132009036.db2.gz DRUHCQNATXCFKT-ZDUSSCGKSA-N 0 0 323.393 0.640 10 0 DCAERN CC1(C)C(=O)NCCN1S(=O)(=O)CCCC(F)(F)F ZINC000215028642 132133101 /nfs/dbraw/zinc/13/31/01/132133101.db2.gz WIJZJSRTZYAHTA-UHFFFAOYSA-N 0 0 302.318 0.869 10 0 DCAERN CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000011592554 395686678 /nfs/dbraw/zinc/68/66/78/395686678.db2.gz VGGGPCQERPFHOB-MJBXVCDLSA-N 0 0 308.378 0.533 10 0 DCAERN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@H](C)O[C@H](C)C1 ZINC000024229918 395692689 /nfs/dbraw/zinc/69/26/89/395692689.db2.gz NBTFYAHJZSETFX-IWSPIJDZSA-N 0 0 311.304 0.872 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C[C@@H]1O ZINC000089225823 395709066 /nfs/dbraw/zinc/70/90/66/395709066.db2.gz UZGVXXNOBAOLBG-NFAWXSAZSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@@H]1CCN(C(=O)C2CCN(c3cnccn3)CC2)C[C@H]1O ZINC000089410060 395710903 /nfs/dbraw/zinc/71/09/03/395710903.db2.gz ZWWFYWHBYDYHDH-TZMCWYRMSA-N 0 0 304.394 0.922 10 0 DCAERN Cc1nn(C)c2c1ccn(CC(=O)NCc1cccnc1)c2=O ZINC000033171627 395716599 /nfs/dbraw/zinc/71/65/99/395716599.db2.gz HVGXTMCXPNGXOJ-UHFFFAOYSA-N 0 0 311.345 0.755 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000027565969 395695228 /nfs/dbraw/zinc/69/52/28/395695228.db2.gz CQCFMKQZPGUFBG-HNNXBMFYSA-N 0 0 319.405 0.864 10 0 DCAERN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c2c(=O)[nH]n(C)c2n1 ZINC000027905277 395695414 /nfs/dbraw/zinc/69/54/14/395695414.db2.gz JXAVVRWLUUFSBI-KOLCDFICSA-N 0 0 304.350 0.867 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ncn(C)c1Cl ZINC000027966180 395695537 /nfs/dbraw/zinc/69/55/37/395695537.db2.gz BMDCJQNMICSCFE-MRVPVSSYSA-N 0 0 320.802 0.315 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1NC(C)=O ZINC000039937230 395732842 /nfs/dbraw/zinc/73/28/42/395732842.db2.gz XCDVOAZVARITEI-GTDBDLECSA-N 0 0 323.345 0.338 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCO[C@@H]1C ZINC000092349607 395730466 /nfs/dbraw/zinc/73/04/66/395730466.db2.gz XJHKCPZCYCYGJJ-MFKMUULPSA-N 0 0 324.402 0.909 10 0 DCAERN CCOc1nc2ccccc2nc1N1CC[NH2+]C[C@@H]1C(=O)[O-] ZINC000095069707 395740639 /nfs/dbraw/zinc/74/06/39/395740639.db2.gz OAAGJAKJFHWTLS-GFCCVEGCSA-N 0 0 302.334 0.891 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000095017302 395740342 /nfs/dbraw/zinc/74/03/42/395740342.db2.gz RWQQHZBEUKIJHO-QMMMGPOBSA-N 0 0 302.327 0.592 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N1CC[C@H](C)[C@@H](O)C1 ZINC000092977460 395735080 /nfs/dbraw/zinc/73/50/80/395735080.db2.gz LBGSIZVCHPICEG-ONGXEEELSA-N 0 0 305.338 0.206 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)c1C ZINC000093050989 395735832 /nfs/dbraw/zinc/73/58/32/395735832.db2.gz KHXLHLZIEVEFKP-BXKDBHETSA-N 0 0 301.412 0.911 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN(C)CC3)[C@H]2C1 ZINC000093208860 395736847 /nfs/dbraw/zinc/73/68/47/395736847.db2.gz ZCIJUNJYDOZMKA-ILXRZTDVSA-N 0 0 311.426 0.029 10 0 DCAERN C[C@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C[C@@H]1O ZINC000093351237 395738508 /nfs/dbraw/zinc/73/85/08/395738508.db2.gz QOAPWLMCFSPDBL-STQMWFEESA-N 0 0 321.425 0.959 10 0 DCAERN Cc1ccc(OC[C@H](O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000042757756 395748760 /nfs/dbraw/zinc/74/87/60/395748760.db2.gz CRPMIDUEENMWOW-GFCCVEGCSA-N 0 0 314.345 0.878 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1nc2cccnc2s1 ZINC000193874840 395780972 /nfs/dbraw/zinc/78/09/72/395780972.db2.gz IVRRLKWQWQDFPK-JTQLQIEISA-N 0 0 322.390 0.114 10 0 DCAERN COC(=O)[C@H]1CCN(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000108257893 395787164 /nfs/dbraw/zinc/78/71/64/395787164.db2.gz RTAJJOJWTFVVAY-NSHDSACASA-N 0 0 304.412 0.991 10 0 DCAERN NC(=O)NC(=O)CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108389200 395789194 /nfs/dbraw/zinc/78/91/94/395789194.db2.gz LLMMXYCSDYKPNW-AWEZNQCLSA-N 0 0 309.341 0.766 10 0 DCAERN C[C@@H](NC(=O)CSCC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000046024847 395769627 /nfs/dbraw/zinc/76/96/27/395769627.db2.gz OLYUTUDCLLCKHY-SNVBAGLBSA-N 0 0 319.390 0.663 10 0 DCAERN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000046186231 395772713 /nfs/dbraw/zinc/77/27/13/395772713.db2.gz MNUFTUIUFYYNDN-STQMWFEESA-N 0 0 304.346 0.885 10 0 DCAERN CCOC(=O)CCCc1sc(N)nc1C1=C(C)N[C@H](O)N1 ZINC000103550408 395774820 /nfs/dbraw/zinc/77/48/20/395774820.db2.gz ZMZHVQFOSWLBGI-ZDUSSCGKSA-N 0 0 312.395 0.768 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195048312 395814346 /nfs/dbraw/zinc/81/43/46/395814346.db2.gz WPYFDTBFXLYTRL-GFCCVEGCSA-N 0 0 319.409 0.676 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000195082647 395814845 /nfs/dbraw/zinc/81/48/45/395814845.db2.gz RXXMPRCUXVUWRY-NSHDSACASA-N 0 0 310.379 0.722 10 0 DCAERN Cn1cc([C@@]2(C)CN(C(=O)[C@]3(O)CCSC3)CCO2)cn1 ZINC000270861569 395817607 /nfs/dbraw/zinc/81/76/07/395817607.db2.gz LLGNZRIJJCNWSJ-KGLIPLIRSA-N 0 0 311.407 0.362 10 0 DCAERN Cn1ncc2c1nc(NCC(C)(C)N1CCOCC1)nc2N ZINC000195175101 395819686 /nfs/dbraw/zinc/81/96/86/395819686.db2.gz URCQVOQZBILHIC-UHFFFAOYSA-N 0 0 305.386 0.468 10 0 DCAERN CC1(CNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)COC1 ZINC000112621207 395820228 /nfs/dbraw/zinc/82/02/28/395820228.db2.gz NKXPIGROUDRVNN-CYBMUJFWSA-N 0 0 316.361 0.259 10 0 DCAERN CC(C)c1noc(CCC(=O)N[C@@H]2CCc3ncnn3C2)n1 ZINC000112651079 395820741 /nfs/dbraw/zinc/82/07/41/395820741.db2.gz KNCPOMQIYOQWPU-SNVBAGLBSA-N 0 0 304.354 0.848 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(C)COC1 ZINC000112693443 395821344 /nfs/dbraw/zinc/82/13/44/395821344.db2.gz YNOMIBCMRURGEN-VIFPVBQESA-N 0 0 318.420 0.568 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000195275203 395822787 /nfs/dbraw/zinc/82/27/87/395822787.db2.gz GURPZZHWORJDSS-LBPRGKRZSA-N 0 0 301.412 0.960 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000195277756 395823384 /nfs/dbraw/zinc/82/33/84/395823384.db2.gz XIUMSCHXJMOBDQ-LBPRGKRZSA-N 0 0 319.409 0.845 10 0 DCAERN COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000195296136 395823703 /nfs/dbraw/zinc/82/37/03/395823703.db2.gz XKEXYBLMVZYTIP-JQWIXIFHSA-N 0 0 300.380 0.920 10 0 DCAERN CNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195391875 395826486 /nfs/dbraw/zinc/82/64/86/395826486.db2.gz CSEZDOMOZHXUNI-VHSXEESVSA-N 0 0 312.395 0.669 10 0 DCAERN CCCCNC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429067 395826518 /nfs/dbraw/zinc/82/65/18/395826518.db2.gz ULTCEYIODGCYJI-JTQLQIEISA-N 0 0 317.415 0.474 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@]1(O)CCSC1 ZINC000270966252 395827118 /nfs/dbraw/zinc/82/71/18/395827118.db2.gz IHFVUWNXXVIZFX-RISCZKNCSA-N 0 0 308.407 0.430 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCCN(c2ccccn2)CC1 ZINC000195453457 395827527 /nfs/dbraw/zinc/82/75/27/395827527.db2.gz SMKLCMBQCPMGJT-ZDUSSCGKSA-N 0 0 313.423 0.958 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000195505352 395830091 /nfs/dbraw/zinc/83/00/91/395830091.db2.gz YADFVNVJTLQPCB-SNVBAGLBSA-N 0 0 305.382 0.966 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000052135424 395860216 /nfs/dbraw/zinc/86/02/16/395860216.db2.gz WDSWPRKDVUTQAT-UHFFFAOYSA-N 0 0 305.385 0.037 10 0 DCAERN COc1cc(NC(=O)C(=O)N(C)OC)cc(Br)n1 ZINC000218447982 395842720 /nfs/dbraw/zinc/84/27/20/395842720.db2.gz OAVOFUWVQUHIOX-UHFFFAOYSA-N 0 0 318.127 0.811 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116228907 395843293 /nfs/dbraw/zinc/84/32/93/395843293.db2.gz VSZHHLWPDDPFSC-DGCLKSJQSA-N 0 0 307.398 0.963 10 0 DCAERN CO[C@@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000116831204 395847183 /nfs/dbraw/zinc/84/71/83/395847183.db2.gz SGOKTYCNPZRSNE-CHWSQXEVSA-N 0 0 312.391 0.524 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890922 395848435 /nfs/dbraw/zinc/84/84/35/395848435.db2.gz SFMKLNMPYXOVNF-IUCAKERBSA-N 0 0 318.424 0.094 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000116891864 395848899 /nfs/dbraw/zinc/84/88/99/395848899.db2.gz DZJRRBIWNBKMSQ-GFCCVEGCSA-N 0 0 315.370 0.388 10 0 DCAERN CC(C)n1nccc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116929994 395849692 /nfs/dbraw/zinc/84/96/92/395849692.db2.gz GNHZXZOLBOHSMG-SNVBAGLBSA-N 0 0 315.399 0.619 10 0 DCAERN CN1CCN(c2nc3cccc(F)c3c(CC(N)=O)n2)CC1 ZINC000117729792 395854647 /nfs/dbraw/zinc/85/46/47/395854647.db2.gz BNNJSGBPFZXBMZ-UHFFFAOYSA-N 0 0 303.341 0.549 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H](C)COC)C[C@@H]1CC ZINC000117925040 395856761 /nfs/dbraw/zinc/85/67/61/395856761.db2.gz HDWKYXUPWOTPTB-KBPBESRZSA-N 0 0 322.471 0.784 10 0 DCAERN CC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000223727471 395856786 /nfs/dbraw/zinc/85/67/86/395856786.db2.gz PHWOTSJWWWEKMS-CSYMLDBXSA-N 0 0 302.323 0.946 10 0 DCAERN CN1CCO[C@H](CNc2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000108945476 395795498 /nfs/dbraw/zinc/79/54/98/395795498.db2.gz KHMNWKRLXUVERU-UONOGXRCSA-N 0 0 321.425 0.428 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1=COCCO1 ZINC000109106717 395796196 /nfs/dbraw/zinc/79/61/96/395796196.db2.gz CCAMWQCPZXYSGJ-CYBMUJFWSA-N 0 0 304.346 0.690 10 0 DCAERN CCNC(=O)CN(CCc1ccccc1F)CC(=O)NCC ZINC000047614025 395796848 /nfs/dbraw/zinc/79/68/48/395796848.db2.gz FZTBUCMSTZWCML-UHFFFAOYSA-N 0 0 309.385 0.942 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(Cc3nnn(C)n3)CC2)n1 ZINC000194445393 395797192 /nfs/dbraw/zinc/79/71/92/395797192.db2.gz BXVLVLMPVLBTAJ-SNVBAGLBSA-N 0 0 306.374 0.034 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCCCO)ncn1 ZINC000194469161 395798226 /nfs/dbraw/zinc/79/82/26/395798226.db2.gz DHSBMIGVQPWRPO-LBPRGKRZSA-N 0 0 322.413 0.559 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCn1cc(C)cn1 ZINC000118079440 395858039 /nfs/dbraw/zinc/85/80/39/395858039.db2.gz MGFBDQKNRYRSGB-LBPRGKRZSA-N 0 0 316.427 0.656 10 0 DCAERN COc1ncc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc1C(N)=O ZINC000122906474 395890449 /nfs/dbraw/zinc/89/04/49/395890449.db2.gz FVIXYAYFDCAJPC-VIFPVBQESA-N 0 0 315.333 0.971 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@H](C(N)=O)C2)cc1C ZINC000053892797 395890946 /nfs/dbraw/zinc/89/09/46/395890946.db2.gz KPJORLXLGLZJPT-ZDUSSCGKSA-N 0 0 303.362 0.367 10 0 DCAERN COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1oc(C2CC2)nc1C ZINC000273541758 395929308 /nfs/dbraw/zinc/92/93/08/395929308.db2.gz GCJCHBDUDDYBMH-JTQLQIEISA-N 0 0 321.333 0.364 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2cccc(C)c2)C[C@@H](C)O1 ZINC000123503096 395895231 /nfs/dbraw/zinc/89/52/31/395895231.db2.gz KSLHHGPFDOFYEO-HIFRSBDPSA-N 0 0 320.389 0.874 10 0 DCAERN C[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000054281930 395896726 /nfs/dbraw/zinc/89/67/26/395896726.db2.gz PXBMJPACZVCWQP-NSHDSACASA-N 0 0 318.377 0.877 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000123854229 395897723 /nfs/dbraw/zinc/89/77/23/395897723.db2.gz HLTLGFBLYYVLKJ-HIFRSBDPSA-N 0 0 320.389 0.907 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000273376082 395916647 /nfs/dbraw/zinc/91/66/47/395916647.db2.gz GLNQKTMSUKJLAT-XNJGSVPQSA-N 0 0 319.357 0.829 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000129373489 395919477 /nfs/dbraw/zinc/91/94/77/395919477.db2.gz XVGYSWJGAMVJIF-SCVCMEIPSA-N 0 0 302.396 0.031 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1=O ZINC000273414738 395919850 /nfs/dbraw/zinc/91/98/50/395919850.db2.gz CRLCYHLZIPTADE-QWRGUYRKSA-N 0 0 309.366 0.355 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000129374135 395919955 /nfs/dbraw/zinc/91/99/55/395919955.db2.gz XVGYSWJGAMVJIF-UMNHJUIQSA-N 0 0 302.396 0.031 10 0 DCAERN [NH3+]CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000238075420 395920504 /nfs/dbraw/zinc/92/05/04/395920504.db2.gz WTQDRLCKDVWBAF-UHFFFAOYSA-N 0 0 311.816 0.145 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000118431662 395862135 /nfs/dbraw/zinc/86/21/35/395862135.db2.gz PRZONSHXSSJKJF-GFCCVEGCSA-N 0 0 315.395 0.840 10 0 DCAERN Cc1nnc(CN2CCCC[C@@H]2CNS(C)(=O)=O)n1C ZINC000052578744 395865546 /nfs/dbraw/zinc/86/55/46/395865546.db2.gz SOKWHEXKZPBGLR-LLVKDONJSA-N 0 0 301.416 0.027 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)F)cc1 ZINC000226596726 395866487 /nfs/dbraw/zinc/86/64/87/395866487.db2.gz ZYWCQAVVIQGNMG-UHFFFAOYSA-N 0 0 314.260 0.851 10 0 DCAERN NC(=O)NC1CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000119277996 395869201 /nfs/dbraw/zinc/86/92/01/395869201.db2.gz SLHBIEIUKVREOG-GFCCVEGCSA-N 0 0 304.350 0.962 10 0 DCAERN CC(C)NC(=O)c1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000119854701 395877366 /nfs/dbraw/zinc/87/73/66/395877366.db2.gz KJFQJDYITUJGOX-OAHLLOKOSA-N 0 0 319.405 0.885 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000119858094 395877417 /nfs/dbraw/zinc/87/74/17/395877417.db2.gz QCJVCCKOXQSERW-VIFPVBQESA-N 0 0 318.420 0.212 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1Cl ZINC000230310921 395880064 /nfs/dbraw/zinc/88/00/64/395880064.db2.gz ZTUHHTIBFSGGPE-RKDXNWHRSA-N 0 0 305.787 0.919 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000230833853 395882540 /nfs/dbraw/zinc/88/25/40/395882540.db2.gz CNUUUOLMINFJLI-MRVPVSSYSA-N 0 0 323.802 0.234 10 0 DCAERN O=C(c1ccc(Br)c(O)c1)N1CCO[C@H](CO)C1 ZINC000231354758 395884546 /nfs/dbraw/zinc/88/45/46/395884546.db2.gz HUYIRGYLWXHSGO-VIFPVBQESA-N 0 0 316.151 0.988 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)cn1 ZINC000134451250 395931560 /nfs/dbraw/zinc/93/15/60/395931560.db2.gz YIVDJKQYUCLCGK-CYBMUJFWSA-N 0 0 314.393 0.912 10 0 DCAERN CC(C)[C@H](NC(=O)NCCNC(=O)c1ccccc1)C(N)=O ZINC000134647342 395932778 /nfs/dbraw/zinc/93/27/78/395932778.db2.gz BAVBQXCVQKPBBA-LBPRGKRZSA-N 0 0 306.366 0.226 10 0 DCAERN Cn1c(CCCNC(=O)[C@@H]2CNC(=O)C2)nc2ccccc21 ZINC000135139542 395938034 /nfs/dbraw/zinc/93/80/34/395938034.db2.gz CTJOLQFOFSZCSI-NSHDSACASA-N 0 0 300.362 0.758 10 0 DCAERN CN1C[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135305111 395939473 /nfs/dbraw/zinc/93/94/73/395939473.db2.gz DZKUNYSQJYGLMF-RYUDHWBXSA-N 0 0 303.366 0.040 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000135422120 395940577 /nfs/dbraw/zinc/94/05/77/395940577.db2.gz LODUHOSCMDNZOQ-LBPRGKRZSA-N 0 0 301.350 0.328 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 ZINC000152067043 395999066 /nfs/dbraw/zinc/99/90/66/395999066.db2.gz GPLAQCHKJLQQPD-JTQLQIEISA-N 0 0 318.381 0.961 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246102146 395941717 /nfs/dbraw/zinc/94/17/17/395941717.db2.gz JHPVAQAPUZUAPS-XWIASGKRSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000246102136 395941786 /nfs/dbraw/zinc/94/17/86/395941786.db2.gz JHPVAQAPUZUAPS-GAFUQQFSSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](O)c1cccc(F)c1 ZINC000135749738 395942335 /nfs/dbraw/zinc/94/23/35/395942335.db2.gz NFJFYMLGAAUUQE-TVYUQYBPSA-N 0 0 303.355 0.956 10 0 DCAERN CN(C(=O)CCn1cncn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136364800 395945944 /nfs/dbraw/zinc/94/59/44/395945944.db2.gz AMMIJZUBFUURMU-CYBMUJFWSA-N 0 0 315.381 0.586 10 0 DCAERN CC(C)N(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246430754 395949535 /nfs/dbraw/zinc/94/95/35/395949535.db2.gz GWMBQGIHHXDEJA-CHWSQXEVSA-N 0 0 305.444 0.224 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000246553373 395952655 /nfs/dbraw/zinc/95/26/55/395952655.db2.gz YLEPMXGHYFJEOH-UONOGXRCSA-N 0 0 311.357 0.489 10 0 DCAERN COC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246656075 395954861 /nfs/dbraw/zinc/95/48/61/395954861.db2.gz GDSNVVIXEIOSOC-OLZOCXBDSA-N 0 0 312.391 0.524 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000246799018 395958218 /nfs/dbraw/zinc/95/82/18/395958218.db2.gz BALZHBZIQCUBHP-PWSUYJOCSA-N 0 0 311.386 0.028 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000274556734 395958760 /nfs/dbraw/zinc/95/87/60/395958760.db2.gz YPKWORQEFVFQOG-UHFFFAOYSA-N 0 0 323.827 0.904 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2cccnc2)[C@H]2CCO[C@H]21 ZINC000246844062 395959295 /nfs/dbraw/zinc/95/92/95/395959295.db2.gz BBATXMKCRPSJKC-MRVWCRGKSA-N 0 0 303.362 0.741 10 0 DCAERN CC[C@@H]1CN(C(=O)CCCS(C)(=O)=O)CCN1C[C@H](C)O ZINC000246939081 395961676 /nfs/dbraw/zinc/96/16/76/395961676.db2.gz RPPTVEOFTVDXOS-QWHCGFSZSA-N 0 0 320.455 0.115 10 0 DCAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NCC(F)(F)F)CCO2)[nH]1 ZINC000246965984 395962889 /nfs/dbraw/zinc/96/28/89/395962889.db2.gz LMPBKJSNJXXCRM-VXNVDRBHSA-N 0 0 321.303 0.553 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000247014030 395963710 /nfs/dbraw/zinc/96/37/10/395963710.db2.gz LIQUYLGLNKCIIU-ZDUSSCGKSA-N 0 0 319.471 0.758 10 0 DCAERN O=C(Cn1cc(NC(=O)[C@H]2CNC(=O)C2)cn1)NC1CCCC1 ZINC000145419495 395963751 /nfs/dbraw/zinc/96/37/51/395963751.db2.gz YMZSUJRHLRHEFJ-SNVBAGLBSA-N 0 0 319.365 0.017 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247010822 395963720 /nfs/dbraw/zinc/96/37/20/395963720.db2.gz CDWSTCSKXZCUAJ-UONOGXRCSA-N 0 0 310.398 0.125 10 0 DCAERN COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000145038615 395964005 /nfs/dbraw/zinc/96/40/05/395964005.db2.gz IXMYOFVXZDUQBH-RYUDHWBXSA-N 0 0 308.334 0.079 10 0 DCAERN COCC(=O)O[C@H](c1ncccc1S(N)(=O)=O)[C@@H](C)F ZINC000146337456 395965203 /nfs/dbraw/zinc/96/52/03/395965203.db2.gz KYSNOAKSEGNQKQ-HQJQHLMTSA-N 0 0 306.315 0.318 10 0 DCAERN C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247243400 395969813 /nfs/dbraw/zinc/96/98/13/395969813.db2.gz XCOFYXSKEJDSLY-DGCLKSJQSA-N 0 0 311.407 0.637 10 0 DCAERN Cc1ccc(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150743005 395971690 /nfs/dbraw/zinc/97/16/90/395971690.db2.gz MHEADWJSLMFWNZ-UHFFFAOYSA-N 0 0 303.318 0.410 10 0 DCAERN C[C@@H](Oc1ccccc1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150742736 395971809 /nfs/dbraw/zinc/97/18/09/395971809.db2.gz XHNROLVIWBSEDM-SNVBAGLBSA-N 0 0 303.318 0.490 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)CC2 ZINC000248983406 396000848 /nfs/dbraw/zinc/00/08/48/396000848.db2.gz WCEKVRCTPXNAHT-IJLUTSLNSA-N 0 0 307.398 0.616 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000150835452 395973399 /nfs/dbraw/zinc/97/33/99/395973399.db2.gz PPDCFZYIWHDXJA-ZIAGYGMSSA-N 0 0 305.382 0.887 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000150828420 395973656 /nfs/dbraw/zinc/97/36/56/395973656.db2.gz ZMPPYFJJXLHOFS-AWEZNQCLSA-N 0 0 316.365 0.719 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000247560842 395976541 /nfs/dbraw/zinc/97/65/41/395976541.db2.gz UUQREHSWUVNYQR-CRWXNKLISA-N 0 0 312.410 0.753 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000151141265 395979643 /nfs/dbraw/zinc/97/96/43/395979643.db2.gz XIAMIMDWJDZDCF-RYUDHWBXSA-N 0 0 308.378 0.948 10 0 DCAERN COC(=O)CCCN(C)C(=O)Cn1cnc2ccccc2c1=O ZINC000247941374 395980028 /nfs/dbraw/zinc/98/00/28/395980028.db2.gz ABYHRSOIDJKNGE-UHFFFAOYSA-N 0 0 317.345 0.808 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)N[C@H](C)[C@H](C)CO ZINC000151163692 395980612 /nfs/dbraw/zinc/98/06/12/395980612.db2.gz YMOJFLWURRFFSK-VXGBXAGGSA-N 0 0 308.378 0.948 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CCN1C[C@@H](O)C(F)(F)F ZINC000248391196 395985299 /nfs/dbraw/zinc/98/52/99/395985299.db2.gz JAKLJJDGFMNKQX-IWSPIJDZSA-N 0 0 324.265 0.839 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)COc2ccccc2O)CC1 ZINC000151560590 395988279 /nfs/dbraw/zinc/98/82/79/395988279.db2.gz KYULSXXYYIZPRD-ZDUSSCGKSA-N 0 0 308.378 0.686 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCCOC)C[C@H]1C ZINC000248478106 395989124 /nfs/dbraw/zinc/98/91/24/395989124.db2.gz PIKMRMFAYGXFJV-CQSZACIVSA-N 0 0 322.471 0.785 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000248673000 395994022 /nfs/dbraw/zinc/99/40/22/395994022.db2.gz BYFGIQWNJBGFJX-GHMZBOCLSA-N 0 0 308.382 0.683 10 0 DCAERN COCCN1[C@H](C)CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@@H]1C ZINC000248670380 395994032 /nfs/dbraw/zinc/99/40/32/395994032.db2.gz DEMAGWLPHCZUBF-HZSPNIEDSA-N 0 0 311.426 0.613 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCN(c2cccnn2)CC1 ZINC000067159042 396022057 /nfs/dbraw/zinc/02/20/57/396022057.db2.gz OYLQIDJUJHAAJJ-UHFFFAOYSA-N 0 0 319.409 0.678 10 0 DCAERN CNC(=O)CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000153762881 396025941 /nfs/dbraw/zinc/02/59/41/396025941.db2.gz FFGGNRVOJUYJND-VIFPVBQESA-N 0 0 312.320 0.589 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N(C)[C@H](C)CO ZINC000153999970 396028031 /nfs/dbraw/zinc/02/80/31/396028031.db2.gz RWYXZUNOQHVWJI-VXGBXAGGSA-N 0 0 318.377 0.807 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@@H](N4CCCC4=O)C3)cc21 ZINC000276785682 396028159 /nfs/dbraw/zinc/02/81/59/396028159.db2.gz QEQUMGCRAIKOLE-GFCCVEGCSA-N 0 0 313.361 0.805 10 0 DCAERN CC(C)[C@H](O)CNC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000154058979 396030666 /nfs/dbraw/zinc/03/06/66/396030666.db2.gz XTPNSIZVJYOMIJ-CYBMUJFWSA-N 0 0 311.357 0.872 10 0 DCAERN C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000154119284 396031100 /nfs/dbraw/zinc/03/11/00/396031100.db2.gz FGTKTFCHBWPRFN-KBPBESRZSA-N 0 0 308.378 0.263 10 0 DCAERN CCOc1ccc(CC(=O)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000154131986 396032427 /nfs/dbraw/zinc/03/24/27/396032427.db2.gz QCPCFRYJCUTAHB-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN CC(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1CO ZINC000257185606 396034042 /nfs/dbraw/zinc/03/40/42/396034042.db2.gz JRBQIOVGLZNPFZ-DZGCQCFKSA-N 0 0 301.346 0.737 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000154994156 396045137 /nfs/dbraw/zinc/04/51/37/396045137.db2.gz NGVLTPBLBSGDBT-QMMMGPOBSA-N 0 0 318.420 0.606 10 0 DCAERN CN(c1cccnn1)C1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000277040938 396045708 /nfs/dbraw/zinc/04/57/08/396045708.db2.gz PGYNSBQPBTYCET-UHFFFAOYSA-N 0 0 313.365 0.471 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC(=O)N2CCCC2)cc1C ZINC000068120113 396046723 /nfs/dbraw/zinc/04/67/23/396046723.db2.gz ZOIWNIHWZNHINH-UHFFFAOYSA-N 0 0 317.389 0.772 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCCC1=O ZINC000155377048 396050261 /nfs/dbraw/zinc/05/02/61/396050261.db2.gz KCBIWWZUQCVOSX-NSHDSACASA-N 0 0 321.381 0.388 10 0 DCAERN [NH3+]C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000159296625 396066347 /nfs/dbraw/zinc/06/63/47/396066347.db2.gz PNXLORNOSSERQK-GFCCVEGCSA-N 0 0 316.810 0.967 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)cn1 ZINC000261817262 396068677 /nfs/dbraw/zinc/06/86/77/396068677.db2.gz XKKCNVPWPJVAAV-ZDUSSCGKSA-N 0 0 307.379 0.150 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)O1 ZINC000249151792 396003901 /nfs/dbraw/zinc/00/39/01/396003901.db2.gz URLDKLCTVARYLG-IHRRRGAJSA-N 0 0 322.336 0.838 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000249290713 396005394 /nfs/dbraw/zinc/00/53/94/396005394.db2.gz AHJMFVLGFDMGLZ-KBPBESRZSA-N 0 0 320.349 0.573 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccccc2O)C[C@@H]1N1CCOCC1 ZINC000152315429 396005418 /nfs/dbraw/zinc/00/54/18/396005418.db2.gz BCVKFGLQVPLCLW-KBPBESRZSA-N 0 0 320.389 0.950 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)[C@@H](C)C1 ZINC000249377933 396006772 /nfs/dbraw/zinc/00/67/72/396006772.db2.gz UNWKWMRTIGEJMQ-STQMWFEESA-N 0 0 306.410 0.747 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152477179 396010658 /nfs/dbraw/zinc/01/06/58/396010658.db2.gz VENQLIKITWYKTC-LLVKDONJSA-N 0 0 313.427 0.342 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000249704303 396011148 /nfs/dbraw/zinc/01/11/48/396011148.db2.gz LORAGNBZWFTKJC-YNEHKIRRSA-N 0 0 318.439 0.826 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)C1 ZINC000250428903 396014544 /nfs/dbraw/zinc/01/45/44/396014544.db2.gz HGPMKWPLSKSAPR-AVGNSLFASA-N 0 0 309.410 0.666 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)[C@H]1CCCO1 ZINC000251451994 396015607 /nfs/dbraw/zinc/01/56/07/396015607.db2.gz XIEKGPWIGYLWSI-MGPQQGTHSA-N 0 0 312.410 0.992 10 0 DCAERN COC(=O)C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C)C2)CCO1 ZINC000252124411 396019304 /nfs/dbraw/zinc/01/93/04/396019304.db2.gz JVTPCSUYRJFRKG-RYUDHWBXSA-N 0 0 320.411 0.227 10 0 DCAERN COCCN1C[C@H](C(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1=O ZINC000163244344 396086181 /nfs/dbraw/zinc/08/61/81/396086181.db2.gz RCYIWNUBYDUQSJ-MGPQQGTHSA-N 0 0 310.394 0.509 10 0 DCAERN CO[C@H](C)Cn1cc(I)c(=O)[nH]c1=O ZINC000167756678 396089746 /nfs/dbraw/zinc/08/97/46/396089746.db2.gz FZEBIKHIEOGVOE-RXMQYKEDSA-N 0 0 310.091 0.176 10 0 DCAERN COCC(=O)N1C[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2C1 ZINC000169759573 396091298 /nfs/dbraw/zinc/09/12/98/396091298.db2.gz WRTQVMRCZUGPSW-OKILXGFUSA-N 0 0 316.357 0.319 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000170924220 396101251 /nfs/dbraw/zinc/10/12/51/396101251.db2.gz YJBAKVLCVSPELB-KBPBESRZSA-N 0 0 307.398 0.597 10 0 DCAERN C[C@@H]1NC(C(=O)N[C@@H]2CCCOC2)=NN(c2ccccc2)C1=O ZINC000170935362 396102301 /nfs/dbraw/zinc/10/23/01/396102301.db2.gz WYJUWORBHAPPBA-NWDGAFQWSA-N 0 0 316.361 0.620 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCOC2)c1 ZINC000170935944 396102442 /nfs/dbraw/zinc/10/24/42/396102442.db2.gz YRZJBAZTELVOLL-NSHDSACASA-N 0 0 312.391 0.812 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000171286667 396112889 /nfs/dbraw/zinc/11/28/89/396112889.db2.gz GXNKEPJDEIIQRM-AWEZNQCLSA-N 0 0 301.350 0.328 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)CCN2C(=O)CCC2=O)cn1 ZINC000171351724 396115016 /nfs/dbraw/zinc/11/50/16/396115016.db2.gz ZRYRRRXVENSXEE-GFCCVEGCSA-N 0 0 304.350 0.623 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000171761533 396124689 /nfs/dbraw/zinc/12/46/89/396124689.db2.gz YDDYQKGVPYWUMO-UHFFFAOYSA-N 0 0 312.329 0.604 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3nncs3)CCO2)c1 ZINC000171837379 396125947 /nfs/dbraw/zinc/12/59/47/396125947.db2.gz IIWHLNMWJHSKRW-SNVBAGLBSA-N 0 0 308.367 0.976 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000171870005 396127011 /nfs/dbraw/zinc/12/70/11/396127011.db2.gz BGUPAPWJOSCADA-GFCCVEGCSA-N 0 0 319.340 0.724 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)N1CCOCC1 ZINC000172282030 396130126 /nfs/dbraw/zinc/13/01/26/396130126.db2.gz AWYVRBGJVSMIPG-OLZOCXBDSA-N 0 0 301.431 0.803 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 ZINC000278550504 396131119 /nfs/dbraw/zinc/13/11/19/396131119.db2.gz IJPKNGMHMVYCPE-KGLIPLIRSA-N 0 0 319.409 0.775 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172764710 396133184 /nfs/dbraw/zinc/13/31/84/396133184.db2.gz KGKNPHFWHKBQHN-CQSZACIVSA-N 0 0 311.426 0.472 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000072795400 396135958 /nfs/dbraw/zinc/13/59/58/396135958.db2.gz MOSJBGRBCCZTKZ-LLVKDONJSA-N 0 0 312.414 0.552 10 0 DCAERN COCCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000173992573 396137142 /nfs/dbraw/zinc/13/71/42/396137142.db2.gz YEQSLKXWXURGIA-UHFFFAOYSA-N 0 0 311.386 0.632 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCCCCC1 ZINC000174027745 396137365 /nfs/dbraw/zinc/13/73/65/396137365.db2.gz JBHBZKJEYPHXRY-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN C[C@](O)(CNC(=O)c1ccc(F)cc1F)CN1CCOCC1 ZINC000174474058 396138533 /nfs/dbraw/zinc/13/85/33/396138533.db2.gz VCYOEKVOEKKYFB-HNNXBMFYSA-N 0 0 314.332 0.778 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)C(=O)N(C)C ZINC000175624571 396140465 /nfs/dbraw/zinc/14/04/65/396140465.db2.gz YEIXKLLYUQMRJG-GXSJLCMTSA-N 0 0 309.414 0.744 10 0 DCAERN O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCNC(=O)C1 ZINC000162959349 396085162 /nfs/dbraw/zinc/08/51/62/396085162.db2.gz ATVOELLOUZIHNU-GFCCVEGCSA-N 0 0 313.361 0.657 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000076611978 396207211 /nfs/dbraw/zinc/20/72/11/396207211.db2.gz MZWSOQWFNRASGT-CYBMUJFWSA-N 0 0 310.375 0.782 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@H](Cn2cccn2)C1 ZINC000263228099 396207740 /nfs/dbraw/zinc/20/77/40/396207740.db2.gz NBODRWNARKBHRK-WDEREUQCSA-N 0 0 300.309 0.108 10 0 DCAERN C[C@H](O)C[C@H](C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178790969 396208667 /nfs/dbraw/zinc/20/86/67/396208667.db2.gz UPPGBUPDWBECEQ-UWVGGRQHSA-N 0 0 300.380 0.471 10 0 DCAERN Cc1ccc(CNC(=O)N2CCC([C@@H](C)O)CC2)c(=O)n1C ZINC000278968083 396144296 /nfs/dbraw/zinc/14/42/96/396144296.db2.gz HIKNJMKKWIIDHT-GFCCVEGCSA-N 0 0 307.394 0.996 10 0 DCAERN COc1ccc(CNC(=O)CN2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175899574 396145291 /nfs/dbraw/zinc/14/52/91/396145291.db2.gz JPXJZHXCGPYTTO-CYBMUJFWSA-N 0 0 318.377 0.021 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C3(O)CCCC3)C2=O)n(C)n1 ZINC000175976630 396147737 /nfs/dbraw/zinc/14/77/37/396147737.db2.gz UPULPHRKAUXUQB-GFCCVEGCSA-N 0 0 320.393 0.645 10 0 DCAERN Cn1nccc1CNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000176033159 396148917 /nfs/dbraw/zinc/14/89/17/396148917.db2.gz WDXWCBIGLNGZKM-UHFFFAOYSA-N 0 0 302.334 0.604 10 0 DCAERN NC(=O)c1ccc(OCCC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000176194470 396151312 /nfs/dbraw/zinc/15/13/12/396151312.db2.gz XRUQYIYNZBIQQZ-UHFFFAOYSA-N 0 0 317.389 0.861 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000073818798 396152115 /nfs/dbraw/zinc/15/21/15/396152115.db2.gz GVNGAOKYBRLVPK-ONXXMXGDSA-N 0 0 318.439 0.277 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000176285944 396153702 /nfs/dbraw/zinc/15/37/02/396153702.db2.gz LAVBRXUZYHBSTH-BXKDBHETSA-N 0 0 317.349 0.949 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCN(Cc2noc(C)n2)CC1 ZINC000074311355 396164015 /nfs/dbraw/zinc/16/40/15/396164015.db2.gz AWTLTDWHMLXFMH-UHFFFAOYSA-N 0 0 309.414 0.800 10 0 DCAERN CNC(=O)CCN(C)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000178854531 396210610 /nfs/dbraw/zinc/21/06/10/396210610.db2.gz FYFXKOIVLQQJCF-UHFFFAOYSA-N 0 0 305.338 0.436 10 0 DCAERN CCOc1cc(C)nc(N2CCN(Cc3ncnn3C)CC2)n1 ZINC000177136601 396167037 /nfs/dbraw/zinc/16/70/37/396167037.db2.gz ZJVRMNRQULQYQD-UHFFFAOYSA-N 0 0 317.397 0.634 10 0 DCAERN CNC(=O)c1ccc(NCCCNC(=O)c2occc2C)nn1 ZINC000074764981 396171399 /nfs/dbraw/zinc/17/13/99/396171399.db2.gz GHFDNARGGGWBFV-UHFFFAOYSA-N 0 0 317.349 0.970 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1 ZINC000075048057 396175028 /nfs/dbraw/zinc/17/50/28/396175028.db2.gz SZSIQVSSPOOEIW-NSHDSACASA-N 0 0 319.409 0.953 10 0 DCAERN NS(=O)(=O)c1cnc(N2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000075053980 396176138 /nfs/dbraw/zinc/17/61/38/396176138.db2.gz CVHZKLKMESUANG-SSDOTTSWSA-N 0 0 317.314 0.294 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177629012 396180300 /nfs/dbraw/zinc/18/03/00/396180300.db2.gz KOSOZNPDFWGURG-LLVKDONJSA-N 0 0 303.297 0.487 10 0 DCAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177627662 396180428 /nfs/dbraw/zinc/18/04/28/396180428.db2.gz PWNFWOAHZNCHCD-JTQLQIEISA-N 0 0 324.344 0.829 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCNC(=O)c1ccco1 ZINC000177684689 396181280 /nfs/dbraw/zinc/18/12/80/396181280.db2.gz RLSRVVBQFLXTCU-LLVKDONJSA-N 0 0 317.349 0.951 10 0 DCAERN CO[C@H](C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)C1CC1 ZINC000280308925 396192115 /nfs/dbraw/zinc/19/21/15/396192115.db2.gz NJDKIOYXRRPBGG-STQMWFEESA-N 0 0 320.393 0.290 10 0 DCAERN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000076097613 396196458 /nfs/dbraw/zinc/19/64/58/396196458.db2.gz KGEKKFNAMWOIHH-CABZTGNLSA-N 0 0 310.375 0.943 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)C(=O)NCc1ccccc1 ZINC000263069108 396199671 /nfs/dbraw/zinc/19/96/71/396199671.db2.gz WIHQXEQWPKGHRY-CMPLNLGQSA-N 0 0 311.332 0.805 10 0 DCAERN NC(=O)COc1cccc(CNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263110601 396202197 /nfs/dbraw/zinc/20/21/97/396202197.db2.gz AHMHHIRDHVFDBD-LLVKDONJSA-N 0 0 313.304 0.164 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)c1c[nH]c2cc(F)ccc12 ZINC000181108966 396237014 /nfs/dbraw/zinc/23/70/14/396237014.db2.gz WPFKZROIROYFNS-UHFFFAOYSA-N 0 0 313.354 0.976 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)ccc1=O ZINC000077940047 396237457 /nfs/dbraw/zinc/23/74/57/396237457.db2.gz WPPPUVZXRJXMQN-YPMHNXCESA-N 0 0 321.377 0.474 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)Cn1cnc2ccccc2c1=O ZINC000181686408 396241401 /nfs/dbraw/zinc/24/14/01/396241401.db2.gz WBHLZUFORYKISA-CHNSCGDPSA-N 0 0 307.375 0.280 10 0 DCAERN COCc1cccc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181773900 396242278 /nfs/dbraw/zinc/24/22/78/396242278.db2.gz QMNNTSLTSOIKQJ-UHFFFAOYSA-N 0 0 317.349 0.570 10 0 DCAERN C[C@H](NCc1nc(N)nc(N)n1)c1ccc(-n2ccnn2)cc1 ZINC000182027654 396246033 /nfs/dbraw/zinc/24/60/33/396246033.db2.gz YSIDQRBFOZOIHE-VIFPVBQESA-N 0 0 311.353 0.468 10 0 DCAERN CNC(=O)Cc1nc(CN2CCN(C(C)=O)CC2(C)C)cs1 ZINC000182176145 396248110 /nfs/dbraw/zinc/24/81/10/396248110.db2.gz SBHRMUTVPSGQNS-UHFFFAOYSA-N 0 0 324.450 0.874 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000182460377 396250927 /nfs/dbraw/zinc/25/09/27/396250927.db2.gz DNKJUVXLNQSDDR-CYBMUJFWSA-N 0 0 318.385 0.382 10 0 DCAERN COCCN1CCN(C(=O)NCCCn2ccnn2)C[C@H]1C ZINC000182483359 396251721 /nfs/dbraw/zinc/25/17/21/396251721.db2.gz QBFKUVMIMQSDIR-CYBMUJFWSA-N 0 0 310.402 0.030 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)C[C@H](C)O1 ZINC000078884568 396256103 /nfs/dbraw/zinc/25/61/03/396256103.db2.gz IVIHLSBPMDIFRE-IUCAKERBSA-N 0 0 320.333 0.509 10 0 DCAERN O=C(CCCNC(=O)c1ccccc1)NCCCn1ccnn1 ZINC000182950637 396257190 /nfs/dbraw/zinc/25/71/90/396257190.db2.gz GNHAYQPJAXGSOY-UHFFFAOYSA-N 0 0 315.377 0.995 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccccc1Cn1cncn1 ZINC000182956202 396257568 /nfs/dbraw/zinc/25/75/68/396257568.db2.gz JPUKUNHEEVPWPW-UHFFFAOYSA-N 0 0 311.349 0.738 10 0 DCAERN O=C1[C@@H](NS(=O)(=O)CCCF)CCCN1c1cccnc1 ZINC000183170906 396264055 /nfs/dbraw/zinc/26/40/55/396264055.db2.gz IGMIDPWDHSQYAB-LBPRGKRZSA-N 0 0 315.370 0.856 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000183223914 396264978 /nfs/dbraw/zinc/26/49/78/396264978.db2.gz PFRMIGNSIRTYQF-CABCVRRESA-N 0 0 313.442 0.452 10 0 DCAERN CCNS(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000183196062 396265082 /nfs/dbraw/zinc/26/50/82/396265082.db2.gz OTRPKYULJLADDO-NSHDSACASA-N 0 0 313.427 0.996 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1nc(C)oc1-c1ccccc1 ZINC000183294654 396266334 /nfs/dbraw/zinc/26/63/34/396266334.db2.gz ALESIUDXQZPJBA-LLVKDONJSA-N 0 0 304.302 0.914 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)c(=O)n2c1 ZINC000282345573 396282924 /nfs/dbraw/zinc/28/29/24/396282924.db2.gz LJJSXDHSLOZKEA-NSHDSACASA-N 0 0 314.345 0.306 10 0 DCAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1Cc2ccccc2C1 ZINC000264394349 396275985 /nfs/dbraw/zinc/27/59/85/396275985.db2.gz OMGGPSIUQVAPLL-UHFFFAOYSA-N 0 0 315.416 0.909 10 0 DCAERN COC(=O)CNC(=O)[C@@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183814903 396276159 /nfs/dbraw/zinc/27/61/59/396276159.db2.gz YVIADUSAVPSZCT-CYBMUJFWSA-N 0 0 320.393 0.271 10 0 DCAERN NS(=O)(=O)CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178901073 396213775 /nfs/dbraw/zinc/21/37/75/396213775.db2.gz DQHHEAHFYPKDFE-ZWNOBZJWSA-N 0 0 320.361 0.751 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077207469 396214598 /nfs/dbraw/zinc/21/45/98/396214598.db2.gz CIVMRENKMHLZBL-XQQFMLRXSA-N 0 0 318.439 0.468 10 0 DCAERN O=C(NCCC[N@@H+]1CCC[C@@H](n2cncn2)C1)C(F)(F)F ZINC000180621970 396233572 /nfs/dbraw/zinc/23/35/72/396233572.db2.gz WOXDWWWFOSNQPX-SNVBAGLBSA-N 0 0 305.304 0.984 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)NCC(F)(F)CO)C2)cn1 ZINC000184990993 396313665 /nfs/dbraw/zinc/31/36/65/396313665.db2.gz OXQRXGUOYVGJRW-SNVBAGLBSA-N 0 0 317.340 0.316 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185082646 396316528 /nfs/dbraw/zinc/31/65/28/396316528.db2.gz WLJIFGSQXRBYIT-ZDUSSCGKSA-N 0 0 318.377 0.610 10 0 DCAERN CSc1ccc(CN(C)C(=O)CN2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185130262 396318623 /nfs/dbraw/zinc/31/86/23/396318623.db2.gz YZBSTOVJQQWJFL-ZIAGYGMSSA-N 0 0 324.446 0.794 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N1CCN(c2cccs2)C(=O)C1 ZINC000184090178 396285440 /nfs/dbraw/zinc/28/54/40/396285440.db2.gz QGILGFJHIYCGBY-JTQLQIEISA-N 0 0 308.359 0.877 10 0 DCAERN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CC(CO)C1 ZINC000184233874 396288479 /nfs/dbraw/zinc/28/84/79/396288479.db2.gz VPJDJNXHZVOUAF-HNNXBMFYSA-N 0 0 308.353 0.650 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F ZINC000282414454 396288729 /nfs/dbraw/zinc/28/87/29/396288729.db2.gz FGMFPLYYCSUIBO-XCBNKYQSSA-N 0 0 304.318 0.910 10 0 DCAERN NC(=O)NC1(C(=O)N2CCN(c3cccs3)C(=O)C2)CC1 ZINC000184352860 396291992 /nfs/dbraw/zinc/29/19/92/396291992.db2.gz NGOOKDBXMJNCJV-UHFFFAOYSA-N 0 0 308.363 0.124 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H](C)S(C)(=O)=O)CC1(C)C ZINC000081241543 396295431 /nfs/dbraw/zinc/29/54/31/396295431.db2.gz CWBNUKGQJJTWMH-SNVBAGLBSA-N 0 0 304.412 0.277 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@@]3(CCOC3)C2)[nH]n1 ZINC000184486564 396296917 /nfs/dbraw/zinc/29/69/17/396296917.db2.gz CISIHZSYFWOTNR-ABAIWWIYSA-N 0 0 308.382 0.850 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000081374034 396299595 /nfs/dbraw/zinc/29/95/95/396299595.db2.gz MQLHATPPPKTBHJ-REWJHTLYSA-N 0 0 321.421 0.903 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000265288910 396305986 /nfs/dbraw/zinc/30/59/86/396305986.db2.gz COLFXCZUMAMBLQ-NSHDSACASA-N 0 0 301.368 0.413 10 0 DCAERN Cc1cccc(C)c1OCCNC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000185158894 396320552 /nfs/dbraw/zinc/32/05/52/396320552.db2.gz LKYSTGSFKUMOMZ-CABCVRRESA-N 0 0 322.405 0.226 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H](C)CN1CCOCC1 ZINC000184827652 396308183 /nfs/dbraw/zinc/30/81/83/396308183.db2.gz IXVUFCYCWDYMEC-CYBMUJFWSA-N 0 0 308.444 0.301 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCO[C@]2(CCOC2)C1 ZINC000185207639 396321775 /nfs/dbraw/zinc/32/17/75/396321775.db2.gz YEKSFPUUFCPWGV-DZGCQCFKSA-N 0 0 300.399 0.409 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2ccccc2OC(F)F)C1 ZINC000185240008 396322244 /nfs/dbraw/zinc/32/22/44/396322244.db2.gz IHPAJZZIJQVVET-UHFFFAOYSA-N 0 0 314.288 0.875 10 0 DCAERN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185241200 396322468 /nfs/dbraw/zinc/32/24/68/396322468.db2.gz YPAPXKHECILUPS-YPMHNXCESA-N 0 0 308.382 0.548 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCCCc2ccccn2)C1 ZINC000185691963 396332961 /nfs/dbraw/zinc/33/29/61/396332961.db2.gz STCAWMODAMTQIF-UHFFFAOYSA-N 0 0 306.366 0.171 10 0 DCAERN CC(=O)NC1(C(=O)N2CCO[C@@]3(CCOC3)C2)CCCCC1 ZINC000186020120 396339432 /nfs/dbraw/zinc/33/94/32/396339432.db2.gz COOPYIPNGWKQAL-HNNXBMFYSA-N 0 0 310.394 0.843 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186061640 396339685 /nfs/dbraw/zinc/33/96/85/396339685.db2.gz CCVFBPSYKVCBGZ-INIZCTEOSA-N 0 0 307.394 0.987 10 0 DCAERN O=C(c1cc(-n2cccn2)ccn1)N1CCO[C@@]2(CCOC2)C1 ZINC000186039406 396339934 /nfs/dbraw/zinc/33/99/34/396339934.db2.gz HZAKNUBRTIUYDX-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN C[C@@H](C(=O)N1CCOC[C@@H]1C(N)=O)c1cn(C)c2ccccc12 ZINC000185850879 396336110 /nfs/dbraw/zinc/33/61/10/396336110.db2.gz LJTVQBGLTUWTLG-IAQYHMDHSA-N 0 0 315.373 0.995 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c12 ZINC000265673684 396336195 /nfs/dbraw/zinc/33/61/95/396336195.db2.gz RYSDYQKYRLSYKS-SNVBAGLBSA-N 0 0 301.350 0.925 10 0 DCAERN CN1C[C@H](NC(=O)N2CCN(Cc3ccco3)CC2)CCC1=O ZINC000265816158 396344672 /nfs/dbraw/zinc/34/46/72/396344672.db2.gz QWCZZNCMJUGHCI-CYBMUJFWSA-N 0 0 320.393 0.728 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186240822 396346067 /nfs/dbraw/zinc/34/60/67/396346067.db2.gz UPVHVRSCCODHBT-LBPRGKRZSA-N 0 0 321.402 0.934 10 0 DCAERN CNC(=O)CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000186138267 396341948 /nfs/dbraw/zinc/34/19/48/396341948.db2.gz UISYEBFNHVVQFL-UHFFFAOYSA-N 0 0 318.782 0.366 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCC(C(=O)N(C)C)CC1 ZINC000186162483 396343387 /nfs/dbraw/zinc/34/33/87/396343387.db2.gz WHVQNMHWKCYUTB-UHFFFAOYSA-N 0 0 322.409 0.897 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(N)cc1 ZINC000186163805 396343445 /nfs/dbraw/zinc/34/34/45/396343445.db2.gz LLZRFUSJKPKFFB-LBPRGKRZSA-N 0 0 307.379 0.982 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@@H](NC(C)=O)C1 ZINC000186182407 396343940 /nfs/dbraw/zinc/34/39/40/396343940.db2.gz LBBXBZYZEOVGLT-CYBMUJFWSA-N 0 0 308.382 0.697 10 0 DCAERN Cn1nccc1CCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000186581538 396353401 /nfs/dbraw/zinc/35/34/01/396353401.db2.gz PTKPQOHKZJIAMQ-CYBMUJFWSA-N 0 0 314.393 0.928 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCCN(C(=O)C3CC3)CC2)C1 ZINC000186636155 396354284 /nfs/dbraw/zinc/35/42/84/396354284.db2.gz POHFLAKSCZRLOW-ZDUSSCGKSA-N 0 0 322.409 0.248 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)[nH]n1 ZINC000186711918 396356413 /nfs/dbraw/zinc/35/64/13/396356413.db2.gz YJKOVXDAIGRZFK-GFCCVEGCSA-N 0 0 305.382 0.009 10 0 DCAERN CC(C)(C)C[C@H](CO)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187043103 396362417 /nfs/dbraw/zinc/36/24/17/396362417.db2.gz ULYFEHCRLBPWQA-SECBINFHSA-N 0 0 304.350 0.845 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)S(C)(=O)=O ZINC000187722114 396373430 /nfs/dbraw/zinc/37/34/30/396373430.db2.gz PMULUFNXOGTZHB-USWWRNFRSA-N 0 0 317.432 0.716 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC[C@H]1C ZINC000187862722 396375432 /nfs/dbraw/zinc/37/54/32/396375432.db2.gz KIERBLSTJKDONG-BXKDBHETSA-N 0 0 317.349 0.325 10 0 DCAERN C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccs2)CCC1=O ZINC000186541377 396351943 /nfs/dbraw/zinc/35/19/43/396351943.db2.gz LBOGOUORHCDJFZ-VIFPVBQESA-N 0 0 316.404 0.464 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000188365529 396381672 /nfs/dbraw/zinc/38/16/72/396381672.db2.gz IPLVQHJPXXGXGD-ZIAGYGMSSA-N 0 0 301.431 0.756 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000188456662 396382382 /nfs/dbraw/zinc/38/23/82/396382382.db2.gz MMXUIRUEBZBPOI-OAHLLOKOSA-N 0 0 315.373 0.777 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CC(NC(=O)C2CCC2)C1 ZINC000188485446 396382476 /nfs/dbraw/zinc/38/24/76/396382476.db2.gz CORGRDMTNVNWMA-UHFFFAOYSA-N 0 0 307.394 0.420 10 0 DCAERN CCOC(=O)C1(C(=O)N2CC(NC(=O)C3CCC3)C2)CCC1 ZINC000188744053 396384827 /nfs/dbraw/zinc/38/48/27/396384827.db2.gz ZIYDLDWKFFCZRI-UHFFFAOYSA-N 0 0 308.378 0.847 10 0 DCAERN Cc1cc(CCNC(=O)CCNS(C)(=O)=O)cc(C)c1O ZINC000188705948 396385103 /nfs/dbraw/zinc/38/51/03/396385103.db2.gz VILVXIIJACHHAV-UHFFFAOYSA-N 0 0 314.407 0.607 10 0 DCAERN CC[C@H](NC(=O)c1cn2ccnc2s1)C(=O)N1CCOCC1 ZINC000188764221 396385872 /nfs/dbraw/zinc/38/58/72/396385872.db2.gz XNRYZNFCLFXEBJ-JTQLQIEISA-N 0 0 322.390 0.763 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CC(CO)C1 ZINC000188771140 396386071 /nfs/dbraw/zinc/38/60/71/396386071.db2.gz NCPPGCJOXOHOLP-WDEREUQCSA-N 0 0 302.346 0.785 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000188902593 396388631 /nfs/dbraw/zinc/38/86/31/396388631.db2.gz WQZMZJYKBOQBHT-JTQLQIEISA-N 0 0 303.362 0.604 10 0 DCAERN Cn1ccnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1=O ZINC000189197719 396392006 /nfs/dbraw/zinc/39/20/06/396392006.db2.gz WJJAHQWQUUNZAM-UHFFFAOYSA-N 0 0 300.366 0.707 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CCCN(C)C(=O)C2)n1 ZINC000189720260 396397490 /nfs/dbraw/zinc/39/74/90/396397490.db2.gz VEPOJKDYDFWRFC-UHFFFAOYSA-N 0 0 307.398 0.764 10 0 DCAERN COc1c(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)c(C)nn1C ZINC000189709289 396397589 /nfs/dbraw/zinc/39/75/89/396397589.db2.gz PVYRMNHLWOPBJK-UHFFFAOYSA-N 0 0 318.381 0.731 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@H](C)N3CCSCC3)CC2)n[nH]1 ZINC000189749096 396398312 /nfs/dbraw/zinc/39/83/12/396398312.db2.gz PSUOQIMWICYDFS-ZDUSSCGKSA-N 0 0 323.466 0.804 10 0 DCAERN Cc1cc(N2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)n[nH]1 ZINC000189723639 396398452 /nfs/dbraw/zinc/39/84/52/396398452.db2.gz RXHCYHSVMNHCGL-UHFFFAOYSA-N 0 0 314.336 0.917 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CCCN(C)C(=O)C1)CO2 ZINC000189816162 396400411 /nfs/dbraw/zinc/40/04/11/396400411.db2.gz LKPDNBIXPIPJOA-ZDUSSCGKSA-N 0 0 318.373 0.937 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cncn2)[C@H]1CO ZINC000190267093 396404204 /nfs/dbraw/zinc/40/42/04/396404204.db2.gz SKYUVZANCRWOQZ-YPMHNXCESA-N 0 0 316.365 0.575 10 0 DCAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCCN(C)C(=O)C1 ZINC000190367861 396405884 /nfs/dbraw/zinc/40/58/84/396405884.db2.gz SHIPVWSOVJFMCS-GFCCVEGCSA-N 0 0 304.346 0.957 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000190462860 396406518 /nfs/dbraw/zinc/40/65/18/396406518.db2.gz KGJNAYBNHRUDOF-UONOGXRCSA-N 0 0 320.437 0.908 10 0 DCAERN CCN1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1=O ZINC000190519077 396406979 /nfs/dbraw/zinc/40/69/79/396406979.db2.gz UEJRSAHJMCFPOP-INIZCTEOSA-N 0 0 302.330 0.806 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CC(NC(C)=O)C1)C2 ZINC000190529187 396407571 /nfs/dbraw/zinc/40/75/71/396407571.db2.gz CKKAYUBAGZXRFW-GFCCVEGCSA-N 0 0 304.346 0.593 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)n[nH]1 ZINC000190544017 396407891 /nfs/dbraw/zinc/40/78/91/396407891.db2.gz IHWZQPMSRAYCNL-VXGBXAGGSA-N 0 0 314.411 0.347 10 0 DCAERN CCN1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1=O ZINC000190652583 396409587 /nfs/dbraw/zinc/40/95/87/396409587.db2.gz FOLRRFBIGYRGOI-UHFFFAOYSA-N 0 0 308.281 0.914 10 0 DCAERN CCc1nc(C2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000190670286 396409600 /nfs/dbraw/zinc/40/96/00/396409600.db2.gz OZCKLZOWCFQTCM-ZDUSSCGKSA-N 0 0 321.425 0.842 10 0 DCAERN COCCN1CCCN([C@H](C)C(=O)NCCC(C)C)CC1=O ZINC000190772264 396410820 /nfs/dbraw/zinc/41/08/20/396410820.db2.gz JLVDBLCQOPWSJQ-CQSZACIVSA-N 0 0 313.442 0.718 10 0 DCAERN COCCCN(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000190779149 396411009 /nfs/dbraw/zinc/41/10/09/396411009.db2.gz LPIPUHJTYDEKGV-CYBMUJFWSA-N 0 0 320.393 0.974 10 0 DCAERN COCCN1CCCN(Cc2nnc(C3CC3)n2C)CC1=O ZINC000190757954 396411309 /nfs/dbraw/zinc/41/13/09/396411309.db2.gz NAZIPLVDBICLKZ-UHFFFAOYSA-N 0 0 307.398 0.373 10 0 DCAERN COCCN1CCCN([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000190807927 396411905 /nfs/dbraw/zinc/41/19/05/396411905.db2.gz RUOMXFSHGFRIGZ-RDJZCZTQSA-N 0 0 304.390 0.825 10 0 DCAERN CC1(C)NC(=O)N(CCSC[C@@H](O)C(F)(F)F)C1=O ZINC000191104009 396415739 /nfs/dbraw/zinc/41/57/39/396415739.db2.gz SNLXMXPHYKEMCY-ZCFIWIBFSA-N 0 0 300.302 0.973 10 0 DCAERN CC1(C)NC(=O)N(CCSC[C@H](O)C(F)(F)F)C1=O ZINC000191103992 396416012 /nfs/dbraw/zinc/41/60/12/396416012.db2.gz SNLXMXPHYKEMCY-LURJTMIESA-N 0 0 300.302 0.973 10 0 DCAERN CN1CCCN([C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1=O ZINC000191128216 396416134 /nfs/dbraw/zinc/41/61/34/396416134.db2.gz SYQYAFLUDSCZCO-ZDUSSCGKSA-N 0 0 309.797 0.901 10 0 DCAERN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191105366 396416196 /nfs/dbraw/zinc/41/61/96/396416196.db2.gz MEFXISVJUROURO-GFCCVEGCSA-N 0 0 318.377 0.887 10 0 DCAERN Cn1cnc(-c2cccc(OC[C@@H](O)CN3CCOCC3)c2)n1 ZINC000191395255 396418774 /nfs/dbraw/zinc/41/87/74/396418774.db2.gz RJAFMTXQJQFVCY-AWEZNQCLSA-N 0 0 318.377 0.554 10 0 DCAERN CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ncccn3)CC2)C1 ZINC000192002324 396427966 /nfs/dbraw/zinc/42/79/66/396427966.db2.gz OBXSNOPYFWNIAY-INIZCTEOSA-N 0 0 319.453 0.703 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(Cc3ncccn3)CC2)n1 ZINC000192007341 396428046 /nfs/dbraw/zinc/42/80/46/396428046.db2.gz MFQWCGJOXPVBBK-UHFFFAOYSA-N 0 0 324.392 0.784 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCCNC(=O)C2CC2)n1 ZINC000192513558 396432330 /nfs/dbraw/zinc/43/23/30/396432330.db2.gz FFDTXNCGFUBIQU-UHFFFAOYSA-N 0 0 324.406 0.847 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000192765858 396437589 /nfs/dbraw/zinc/43/75/89/396437589.db2.gz DQQFDMCQMOUJLC-YUMQZZPRSA-N 0 0 323.315 0.474 10 0 DCAERN O=C(c1ncsc1Br)N1CCN(CCO)CC1 ZINC000288021517 396437962 /nfs/dbraw/zinc/43/79/62/396437962.db2.gz LLFAVXMGZUSZER-UHFFFAOYSA-N 0 0 320.212 0.656 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000192998716 396441472 /nfs/dbraw/zinc/44/14/72/396441472.db2.gz CQNKAKLTEBUIKS-LLVKDONJSA-N 0 0 307.281 0.480 10 0 DCAERN O=C(NC1CN(S(=O)(=O)N2CCCCCC2)C1)C1CC1 ZINC000187926630 396376390 /nfs/dbraw/zinc/37/63/90/396376390.db2.gz ZINHRQIXZGXASC-UHFFFAOYSA-N 0 0 301.412 0.318 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000188075627 396378221 /nfs/dbraw/zinc/37/82/21/396378221.db2.gz NNIFPDFITYUKNG-CYBMUJFWSA-N 0 0 304.346 0.623 10 0 DCAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCCN(C)C(=O)C1 ZINC000188171527 396379735 /nfs/dbraw/zinc/37/97/35/396379735.db2.gz ZIRXYKRPTRGENJ-UHFFFAOYSA-N 0 0 313.361 0.880 10 0 DCAERN CCn1ncnc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000193299846 396448880 /nfs/dbraw/zinc/44/88/80/396448880.db2.gz UQKLZPQJBMQUHW-ZDUSSCGKSA-N 0 0 307.398 0.369 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3ncnn3CC)CC2)n1 ZINC000193337672 396449576 /nfs/dbraw/zinc/44/95/76/396449576.db2.gz QBYXBPXLEZBFMX-UHFFFAOYSA-N 0 0 317.397 0.809 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)c1F ZINC000288984234 396451997 /nfs/dbraw/zinc/45/19/97/396451997.db2.gz RTTFEVQXBGPTQJ-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN O=C(Cc1ccccc1)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000371839335 396478469 /nfs/dbraw/zinc/47/84/69/396478469.db2.gz SJBBFXHCLJOFSM-WBMJQRKESA-N 0 0 301.346 0.724 10 0 DCAERN NS(=O)(=O)c1cnn(CC(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291219866 396481240 /nfs/dbraw/zinc/48/12/40/396481240.db2.gz WBEGTXAZPLQOKG-CYBMUJFWSA-N 0 0 324.406 0.322 10 0 DCAERN Cn1cccc1[C@H]1CCCCN1C(=O)NCc1nnn(C)n1 ZINC000373333375 396585005 /nfs/dbraw/zinc/58/50/05/396585005.db2.gz PXEACVGRUXDCPF-GFCCVEGCSA-N 0 0 303.370 0.985 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000373326629 396585015 /nfs/dbraw/zinc/58/50/15/396585015.db2.gz UOWLNGBKWMBFEZ-JSGCOSHPSA-N 0 0 305.378 0.793 10 0 DCAERN NC(=O)[C@@]1(O)CC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000372693195 396538292 /nfs/dbraw/zinc/53/82/92/396538292.db2.gz VLLPVKVCCOIDLM-OAHLLOKOSA-N 0 0 308.334 0.106 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)COC2CCCC2)C1=O ZINC000581285655 396540797 /nfs/dbraw/zinc/54/07/97/396540797.db2.gz ATQIUYIDKSHRSE-CYBMUJFWSA-N 0 0 320.393 0.991 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000581352647 396546834 /nfs/dbraw/zinc/54/68/34/396546834.db2.gz PMGGCDXNCMNCNC-ZUZCIYMTSA-N 0 0 305.334 0.137 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)C(=O)N[C@H]2CCCOCC2)no1 ZINC000581507745 396561019 /nfs/dbraw/zinc/56/10/19/396561019.db2.gz MSCUZWJYIYVYJA-NWDGAFQWSA-N 0 0 322.365 0.727 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000373129665 396569120 /nfs/dbraw/zinc/56/91/20/396569120.db2.gz ZRABPFMXWGRIIZ-RWMBFGLXSA-N 0 0 317.455 0.545 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000373244123 396577720 /nfs/dbraw/zinc/57/77/20/396577720.db2.gz MILPHZQGEOUKEV-LBPRGKRZSA-N 0 0 322.390 0.990 10 0 DCAERN Cc1nocc1CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000292976593 396580047 /nfs/dbraw/zinc/58/00/47/396580047.db2.gz MRXSQVBTEIYPCA-VIFPVBQESA-N 0 0 315.317 0.895 10 0 DCAERN COc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cn1 ZINC000585735861 396651774 /nfs/dbraw/zinc/65/17/74/396651774.db2.gz LRDWOBQYHDDPKA-UHFFFAOYSA-N 0 0 313.379 0.246 10 0 DCAERN CCn1ncnc1CN1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374349549 396657488 /nfs/dbraw/zinc/65/74/88/396657488.db2.gz ZMPFNWPVSRABBR-CQSZACIVSA-N 0 0 321.425 0.805 10 0 DCAERN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374091032 396638351 /nfs/dbraw/zinc/63/83/51/396638351.db2.gz CCIAVMXFAYPKDD-LEWSCRJBSA-N 0 0 303.362 0.976 10 0 DCAERN Cc1cc(NC(=O)NCCCN2CCCS2(=O)=O)n(C)n1 ZINC000585821077 396661690 /nfs/dbraw/zinc/66/16/90/396661690.db2.gz WRNWJAAPBAOVNK-UHFFFAOYSA-N 0 0 315.399 0.276 10 0 DCAERN Cc1cccc(C(=O)NCCCN2CCCS2(=O)=O)c1O ZINC000586762987 396663616 /nfs/dbraw/zinc/66/36/16/396663616.db2.gz DYJBUNRZTVBOMS-UHFFFAOYSA-N 0 0 312.391 0.856 10 0 DCAERN C[C@@H](NC(=O)CN1CCOc2cccc(F)c2C1)C(=O)N(C)C ZINC000374551626 396671542 /nfs/dbraw/zinc/67/15/42/396671542.db2.gz MXBZTFIJBXOLEC-LLVKDONJSA-N 0 0 323.368 0.613 10 0 DCAERN CC(C)NS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374657620 396678619 /nfs/dbraw/zinc/67/86/19/396678619.db2.gz MFKDRPGGYIWUOP-NWDGAFQWSA-N 0 0 306.428 0.387 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000375310240 396726778 /nfs/dbraw/zinc/72/67/78/396726778.db2.gz QUOOEIRZBTZHNP-VIFPVBQESA-N 0 0 309.338 0.948 10 0 DCAERN COCCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374834995 396691218 /nfs/dbraw/zinc/69/12/18/396691218.db2.gz VALKLQZKFVRABB-STQMWFEESA-N 0 0 300.399 0.890 10 0 DCAERN O=C(c1cc(F)cc2nccnc21)N1CCN2CCOC[C@H]2C1 ZINC000374961206 396701564 /nfs/dbraw/zinc/70/15/64/396701564.db2.gz HTAUPRPRODHNHU-GFCCVEGCSA-N 0 0 316.336 0.926 10 0 DCAERN CC[C@H](C)[C@@H]1NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375047198 396706534 /nfs/dbraw/zinc/70/65/34/396706534.db2.gz CBXBOHNTOATKNP-UHTWSYAYSA-N 0 0 323.393 0.733 10 0 DCAERN COc1ccnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000299739068 396713544 /nfs/dbraw/zinc/71/35/44/396713544.db2.gz KCBMVAXGUXNZKG-SECBINFHSA-N 0 0 303.326 0.017 10 0 DCAERN CC(C)Cc1nsc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000302329220 396719738 /nfs/dbraw/zinc/71/97/38/396719738.db2.gz ZFHSYNWSNZFGDJ-SECBINFHSA-N 0 0 304.441 0.865 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000375228609 396720261 /nfs/dbraw/zinc/72/02/61/396720261.db2.gz JUOYCYAVPFGLML-ZDUSSCGKSA-N 0 0 304.412 0.209 10 0 DCAERN O=C1c2ccccc2C(=O)N1CCN1CCN2CCOC[C@@H]2C1 ZINC000375236284 396720266 /nfs/dbraw/zinc/72/02/66/396720266.db2.gz FOFXBYWYTHQNAT-ZDUSSCGKSA-N 0 0 315.373 0.299 10 0 DCAERN O=C(Nc1ccccc1Cl)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000375240602 396720957 /nfs/dbraw/zinc/72/09/57/396720957.db2.gz XRMRSYPCFCNPKR-NSHDSACASA-N 0 0 323.780 0.822 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)NCC1(O)CCC1 ZINC000304297820 396729040 /nfs/dbraw/zinc/72/90/40/396729040.db2.gz NPQMKOBCEOOWNO-UHFFFAOYSA-N 0 0 317.433 0.835 10 0 DCAERN COC(=O)CCNC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465593 396752599 /nfs/dbraw/zinc/75/25/99/396752599.db2.gz OUKBJOHNNXMVPT-LLVKDONJSA-N 0 0 322.365 0.416 10 0 DCAERN CC(=O)C1(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000629433598 396755617 /nfs/dbraw/zinc/75/56/17/396755617.db2.gz RFUAFIDTXVZHQC-OAHLLOKOSA-N 0 0 317.389 0.768 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)nc1 ZINC000590330491 396758818 /nfs/dbraw/zinc/75/88/18/396758818.db2.gz MCFYKSKXYVBVOQ-INIZCTEOSA-N 0 0 320.345 0.890 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000600234835 396768077 /nfs/dbraw/zinc/76/80/77/396768077.db2.gz NOFXSOMJAAZMFO-VIFPVBQESA-N 0 0 300.384 0.113 10 0 DCAERN CC1(C)NC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501945 396772088 /nfs/dbraw/zinc/77/20/88/396772088.db2.gz DIFOWZBAIDMWHC-CYBMUJFWSA-N 0 0 318.377 0.613 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCC[C@](O)(CO)C1 ZINC000313690228 396772628 /nfs/dbraw/zinc/77/26/28/396772628.db2.gz RBHXTSHFPCDVLL-CYBMUJFWSA-N 0 0 301.364 0.203 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(C(N)=O)c[nH]3)[C@@H]2C1 ZINC000127385836 285746243 /nfs/dbraw/zinc/74/62/43/285746243.db2.gz WTMIDZQQESGCCS-RAIGVLPGSA-N 0 0 307.350 0.522 10 0 DCAERN O=C(CN1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC(=O)NC1CC1 ZINC000611137876 396822826 /nfs/dbraw/zinc/82/28/26/396822826.db2.gz CWHHQLFGFXRLGE-KGLIPLIRSA-N 0 0 321.352 0.922 10 0 DCAERN CCN1CCN(C(=O)c2cc(C)nc(=O)[nH]2)C[C@H]1c1ncc[nH]1 ZINC000328627151 396825463 /nfs/dbraw/zinc/82/54/63/396825463.db2.gz MLNZUBKGDWRKMF-LBPRGKRZSA-N 0 0 316.365 0.733 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)n1 ZINC000328630652 396826912 /nfs/dbraw/zinc/82/69/12/396826912.db2.gz QBZSVFIWFMIGFL-ZDUSSCGKSA-N 0 0 302.382 0.738 10 0 DCAERN Cn1nccc1CCNc1nccc(N[C@@H]2CCCOC2)n1 ZINC000328633405 396827304 /nfs/dbraw/zinc/82/73/04/396827304.db2.gz LYJTYLIGRZMYCX-GFCCVEGCSA-N 0 0 302.382 0.299 10 0 DCAERN CCN1CCN(C(=O)c2cc(OC)no2)C[C@H]1c1nccn1C ZINC000328630828 396827364 /nfs/dbraw/zinc/82/73/64/396827364.db2.gz QGFRJHDDXSDFFJ-NSHDSACASA-N 0 0 319.365 0.936 10 0 DCAERN COC[C@H](O)Cn1c(C)nc2cc(C(=O)OC)ccc2c1=O ZINC000611471183 396868476 /nfs/dbraw/zinc/86/84/76/396868476.db2.gz ZEEUIDVNVYHTKA-LLVKDONJSA-N 0 0 306.318 0.499 10 0 DCAERN C[S@@](=O)c1cccc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000611195431 396832468 /nfs/dbraw/zinc/83/24/68/396832468.db2.gz CEFPKGNHTVTHDS-CHNSCGDPSA-N 0 0 310.379 0.699 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000375864458 396835212 /nfs/dbraw/zinc/83/52/12/396835212.db2.gz BDYKCVKXJZDYMT-XHBSWPGZSA-N 0 0 311.378 0.982 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329408286 396844547 /nfs/dbraw/zinc/84/45/47/396844547.db2.gz DDXQVZAPUYZASA-SYQHCUMBSA-N 0 0 318.439 0.289 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000375952779 396850416 /nfs/dbraw/zinc/85/04/16/396850416.db2.gz DBQIHCHLAILCET-LOWDOPEQSA-N 0 0 322.409 0.163 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000625377022 396852784 /nfs/dbraw/zinc/85/27/84/396852784.db2.gz QRWKNCMRFZFXMU-QLFBSQMISA-N 0 0 321.421 0.620 10 0 DCAERN CCOC(=O)CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000611361364 396858301 /nfs/dbraw/zinc/85/83/01/396858301.db2.gz QBJVGWKCRWWPRC-UHFFFAOYSA-N 0 0 304.306 0.342 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332762695 396893843 /nfs/dbraw/zinc/89/38/43/396893843.db2.gz WVUSRRBEWCHSSW-NWANDNLSSA-N 0 0 323.437 0.613 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376214045 396896549 /nfs/dbraw/zinc/89/65/49/396896549.db2.gz ULHGXQNMUVCQLK-UPJWGTAASA-N 0 0 314.407 0.314 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@@H]2CCCSC2)CCS1(=O)=O ZINC000332896146 396899649 /nfs/dbraw/zinc/89/96/49/396899649.db2.gz OCPKBBKSQVOUFL-QWRGUYRKSA-N 0 0 306.453 0.958 10 0 DCAERN C[C@@H](CCNC(=O)C1(N2CCOCC2)CCC1)[S@@](C)=O ZINC000611487477 396871253 /nfs/dbraw/zinc/87/12/53/396871253.db2.gz LYZYVKFRAIFUEY-FKIZINRSSA-N 0 0 302.440 0.515 10 0 DCAERN C[C@@H](CCNC(=O)C1(N2CCOCC2)CCC1)[S@](C)=O ZINC000611487483 396871979 /nfs/dbraw/zinc/87/19/79/396871979.db2.gz LYZYVKFRAIFUEY-YUNKPMOVSA-N 0 0 302.440 0.515 10 0 DCAERN COC1(c2ccccc2)CN(C(=O)[C@@H](O)c2cnn(C)c2)C1 ZINC000376294080 396907230 /nfs/dbraw/zinc/90/72/30/396907230.db2.gz QMGREASBUQWODG-AWEZNQCLSA-N 0 0 301.346 0.838 10 0 DCAERN COc1cccc(OCC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000376307667 396908812 /nfs/dbraw/zinc/90/88/12/396908812.db2.gz PNJDCENJPJZPBC-CYBMUJFWSA-N 0 0 306.362 0.617 10 0 DCAERN COC(=O)C[C@H]1COCCN1CCNC(=O)OC(C)(C)C ZINC000376533455 396942420 /nfs/dbraw/zinc/94/24/20/396942420.db2.gz RMDPIDVLJWWFFU-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376625873 396954140 /nfs/dbraw/zinc/95/41/40/396954140.db2.gz FBVPACNFJKBMDG-NSHDSACASA-N 0 0 306.366 0.887 10 0 DCAERN O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCC12OCCO2 ZINC000376724882 396968734 /nfs/dbraw/zinc/96/87/34/396968734.db2.gz VCMVGHVOPCWPKN-BFHYXJOUSA-N 0 0 310.394 0.509 10 0 DCAERN COC(=O)COc1ccc(C(=O)NCc2cn(C)nn2)cc1 ZINC000611945865 396956162 /nfs/dbraw/zinc/95/61/62/396956162.db2.gz GLQWERIXTWIWQJ-UHFFFAOYSA-N 0 0 304.306 0.297 10 0 DCAERN COC(=O)CCC1CCN(C(=O)NCc2cn(C)nn2)CC1 ZINC000611951114 396957725 /nfs/dbraw/zinc/95/77/25/396957725.db2.gz HHVWCLIQCMQMMU-UHFFFAOYSA-N 0 0 309.370 0.690 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cnn2ccccc12 ZINC000600985884 396981186 /nfs/dbraw/zinc/98/11/86/396981186.db2.gz QZYQVMCVWIRXQQ-UHFFFAOYSA-N 0 0 322.390 0.490 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@H](C(N)=O)O1 ZINC000625735632 396991226 /nfs/dbraw/zinc/99/12/26/396991226.db2.gz HHDDRCOKFIKFIX-RYMFRWLXSA-N 0 0 311.426 0.502 10 0 DCAERN Cc1noc(C)c1CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618679360 397011368 /nfs/dbraw/zinc/01/13/68/397011368.db2.gz AMAKXINRMXGCSA-SECBINFHSA-N 0 0 315.395 0.326 10 0 DCAERN Cc1ncsc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618679512 397011586 /nfs/dbraw/zinc/01/15/86/397011586.db2.gz KXAQWXFYXYNXGR-MRVPVSSYSA-N 0 0 303.409 0.557 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H]3[C@@H]4COC[C@@H]43)[C@H]2C1 ZINC000572087473 397018752 /nfs/dbraw/zinc/01/87/52/397018752.db2.gz WVQSMYPCWGROCD-CTTWBBHYSA-N 0 0 307.394 0.577 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnn1CC ZINC000618754416 397022897 /nfs/dbraw/zinc/02/28/97/397022897.db2.gz BBJPXWDSACPGGL-NXEZZACHSA-N 0 0 310.354 0.089 10 0 DCAERN C[C@H](NC(=O)C1CSC1)c1ccc(S(N)(=O)=O)cc1 ZINC000630465669 397026927 /nfs/dbraw/zinc/02/69/27/397026927.db2.gz SUQRCRAEJJXDFH-QMMMGPOBSA-N 0 0 300.405 0.874 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C)CC1 ZINC000347090237 397027990 /nfs/dbraw/zinc/02/79/90/397027990.db2.gz IWBDLWPOYBENKS-TYUFSLCMSA-N 0 0 323.393 0.590 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626077489 397068760 /nfs/dbraw/zinc/06/87/60/397068760.db2.gz LELHJVMCSACVFP-AWEZNQCLSA-N 0 0 319.361 0.404 10 0 DCAERN CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])N1C1CC1 ZINC000630666040 397075997 /nfs/dbraw/zinc/07/59/97/397075997.db2.gz OCBAFLVFZYQSJI-KGLIPLIRSA-N 0 0 308.378 0.872 10 0 DCAERN COc1cccc([C@@H]2CN(C(=O)Cc3cnnn3C)CCO2)c1 ZINC000612533511 397081485 /nfs/dbraw/zinc/08/14/85/397081485.db2.gz UXGSAHFXFCSVJL-HNNXBMFYSA-N 0 0 316.361 0.966 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)C1 ZINC000618929116 397044108 /nfs/dbraw/zinc/04/41/08/397044108.db2.gz CWTDYHSCOAPUSI-HIFRSBDPSA-N 0 0 304.394 0.726 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cn(C)c3ccc(F)cc23)CCO1 ZINC000377190207 397045561 /nfs/dbraw/zinc/04/55/61/397045561.db2.gz UYNFDIIBXUENKH-CQSZACIVSA-N 0 0 319.336 0.904 10 0 DCAERN CCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCN1C(C)=O)CC2 ZINC000630878041 397127169 /nfs/dbraw/zinc/12/71/69/397127169.db2.gz UGXGQEPIAFGBCA-VXGBXAGGSA-N 0 0 305.382 0.282 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@H](C(F)F)CC1 ZINC000601504412 397156013 /nfs/dbraw/zinc/15/60/13/397156013.db2.gz HAMXJNRVBUGBET-VIFPVBQESA-N 0 0 315.338 0.625 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000626420730 397158455 /nfs/dbraw/zinc/15/84/55/397158455.db2.gz RFFCPIXPEZGBMM-KBPBESRZSA-N 0 0 305.378 0.960 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H]2C)N(S(C)(=O)=O)C1 ZINC000365135274 397247743 /nfs/dbraw/zinc/24/77/43/397247743.db2.gz SDCWLOIGLZBBDV-WHOHXGKFSA-N 0 0 304.412 0.292 10 0 DCAERN C[C@@H](O)CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000364380209 397191878 /nfs/dbraw/zinc/19/18/78/397191878.db2.gz WABIRFAWUHPLPE-ZYHUDNBSSA-N 0 0 300.424 0.917 10 0 DCAERN CCN1CC[C@@H](NC(=O)CCc2nc(CSC)no2)C1=O ZINC000619803007 397196539 /nfs/dbraw/zinc/19/65/39/397196539.db2.gz VGHNXJSGJXPMMM-SECBINFHSA-N 0 0 312.395 0.602 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H](C(N)=O)O1 ZINC000378159338 397201985 /nfs/dbraw/zinc/20/19/85/397201985.db2.gz DDXZPPOZGVLEJO-NJMOYASZSA-N 0 0 311.382 0.228 10 0 DCAERN NS(=O)(=O)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000378327875 397230064 /nfs/dbraw/zinc/23/00/64/397230064.db2.gz UJNZLQROHDRGLT-UHFFFAOYSA-N 0 0 312.391 0.711 10 0 DCAERN CCCN1CC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000365352953 397270087 /nfs/dbraw/zinc/27/00/87/397270087.db2.gz CNOSGIQMMNAJEY-GFCCVEGCSA-N 0 0 309.366 0.441 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCc2c(cccc2C(N)=O)C1)C(C)C ZINC000620891243 397315928 /nfs/dbraw/zinc/31/59/28/397315928.db2.gz APIWFWRDYSLQDS-HNNXBMFYSA-N 0 0 317.389 0.831 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC000365484935 397287436 /nfs/dbraw/zinc/28/74/36/397287436.db2.gz NBXVLJHZVICGSC-AGIUHOORSA-N 0 0 318.439 0.588 10 0 DCAERN Cc1ccn(-c2ccc(NC(=O)CN3CCOCC3=O)cc2)n1 ZINC000574710035 397292966 /nfs/dbraw/zinc/29/29/66/397292966.db2.gz GGXZSXXIKVXESC-UHFFFAOYSA-N 0 0 314.345 0.978 10 0 DCAERN CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000613718943 397307550 /nfs/dbraw/zinc/30/75/50/397307550.db2.gz IZDWKTGOWCLZFY-QWRGUYRKSA-N 0 0 308.400 0.225 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2COC(C)(C)C2)cc1S(N)(=O)=O ZINC000396526239 397311148 /nfs/dbraw/zinc/31/11/48/397311148.db2.gz XFRDFWOWJHDKGR-QMMMGPOBSA-N 0 0 302.352 0.533 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)[nH]n1 ZINC000365240442 397252364 /nfs/dbraw/zinc/25/23/64/397252364.db2.gz FBDYKHZVGVIJCA-IINYFYTJSA-N 0 0 316.365 0.401 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407953265 397334458 /nfs/dbraw/zinc/33/44/58/397334458.db2.gz LJDBSAPZCSHERI-UPJWGTAASA-N 0 0 318.439 0.876 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)CC2 ZINC000407953834 397334527 /nfs/dbraw/zinc/33/45/27/397334527.db2.gz CHLNZOGELXIQKR-DMDPSCGWSA-N 0 0 304.394 0.685 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407953264 397334867 /nfs/dbraw/zinc/33/48/67/397334867.db2.gz LJDBSAPZCSHERI-AVGNSLFASA-N 0 0 318.439 0.876 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCN(C3CC3)C(=O)C1)CC2 ZINC000407954747 397335577 /nfs/dbraw/zinc/33/55/77/397335577.db2.gz FEIPXERXMKAPNF-NSHDSACASA-N 0 0 302.378 0.358 10 0 DCAERN Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)c2cnn(C)c2n1 ZINC000407957406 397335908 /nfs/dbraw/zinc/33/59/08/397335908.db2.gz OQJYZAPOWDTXFD-UHFFFAOYSA-N 0 0 313.361 0.724 10 0 DCAERN O=C(NC1CCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000407963177 397338944 /nfs/dbraw/zinc/33/89/44/397338944.db2.gz BTXOCSHVYZQQIC-UHFFFAOYSA-N 0 0 324.406 0.650 10 0 DCAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000407971205 397342693 /nfs/dbraw/zinc/34/26/93/397342693.db2.gz HIEVEWVEKLWFIE-CHWSQXEVSA-N 0 0 304.412 0.486 10 0 DCAERN C[C@H](O)[C@@H]1CCCCN1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408015242 397343761 /nfs/dbraw/zinc/34/37/61/397343761.db2.gz ANJZONDWPLHEOH-SRVKXCTJSA-N 0 0 304.412 0.461 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992964 397343796 /nfs/dbraw/zinc/34/37/96/397343796.db2.gz KELQERNVUZDBMT-MCIONIFRSA-N 0 0 320.455 0.536 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000408243286 397351426 /nfs/dbraw/zinc/35/14/26/397351426.db2.gz FRUSMXNEUBQADQ-RDBSUJKOSA-N 0 0 320.455 0.394 10 0 DCAERN CSCCONC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000366275084 397361403 /nfs/dbraw/zinc/36/14/03/397361403.db2.gz AJZBVTWRUATGBP-NSHDSACASA-N 0 0 317.411 0.360 10 0 DCAERN C[C@]1(O)CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366515383 397369604 /nfs/dbraw/zinc/36/96/04/397369604.db2.gz DQIGZESGONKLCL-WZRBSPASSA-N 0 0 304.412 0.509 10 0 DCAERN CCN([C@@H]1CCCOC1)S(=O)(=O)N(C)CCC(=O)OC ZINC000402801828 397323078 /nfs/dbraw/zinc/32/30/78/397323078.db2.gz PSYVPHDHAQYQAS-LLVKDONJSA-N 0 0 308.400 0.227 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@]2(OC)CCOC2)n1 ZINC000402032513 397323474 /nfs/dbraw/zinc/32/34/74/397323474.db2.gz ITSLWXDBJUCYBP-LBPRGKRZSA-N 0 0 300.336 0.603 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC2(CF)CCOCC2)C1 ZINC000621459433 397387907 /nfs/dbraw/zinc/38/79/07/397387907.db2.gz DULTVYGCLDESPV-GFCCVEGCSA-N 0 0 301.362 0.673 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)C1 ZINC000621526205 397392704 /nfs/dbraw/zinc/39/27/04/397392704.db2.gz JEWPYXQFDBWZKM-ZIAGYGMSSA-N 0 0 324.425 0.553 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000621527235 397393829 /nfs/dbraw/zinc/39/38/29/397393829.db2.gz VMBLFMJKDMMUOX-FRRDWIJNSA-N 0 0 315.414 0.064 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nc2c(s1)CSCC2 ZINC000367515212 397402928 /nfs/dbraw/zinc/40/29/28/397402928.db2.gz YXENDFBXLKSYCW-UHFFFAOYSA-N 0 0 313.404 0.730 10 0 DCAERN C[C@H]1CCOCCN1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000368130614 397414641 /nfs/dbraw/zinc/41/46/41/397414641.db2.gz DLOJRKWSKTZKCB-AWEZNQCLSA-N 0 0 305.426 0.839 10 0 DCAERN CCOC(=O)c1ncc(CN2CCS(=O)(=O)CC2)s1 ZINC000602773758 397480691 /nfs/dbraw/zinc/48/06/91/397480691.db2.gz YKGMSCDSRSJECO-UHFFFAOYSA-N 0 0 304.393 0.550 10 0 DCAERN CCOC(=O)c1ncc(CN2CCS(=O)(=O)C[C@H]2C)s1 ZINC000602776801 397482597 /nfs/dbraw/zinc/48/25/97/397482597.db2.gz DSJXXFLGKYZQCW-SECBINFHSA-N 0 0 318.420 0.939 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCCC1CC1 ZINC000578826924 397488779 /nfs/dbraw/zinc/48/87/79/397488779.db2.gz OCOJROQHEVURLP-MNOVXSKESA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](OC)C(C)C ZINC000488288728 397488801 /nfs/dbraw/zinc/48/88/01/397488801.db2.gz FADZMCAFENYYSG-OUAUKWLOSA-N 0 0 302.371 0.230 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)CSC ZINC000488332154 397490460 /nfs/dbraw/zinc/49/04/60/397490460.db2.gz SOJCVJNCSPNMAD-AEJSXWLSSA-N 0 0 304.412 0.558 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000370603165 397507766 /nfs/dbraw/zinc/50/77/66/397507766.db2.gz SRFZNPOWTWXTCC-CQSZACIVSA-N 0 0 305.382 0.237 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(CO)OC ZINC000594484323 397561111 /nfs/dbraw/zinc/56/11/11/397561111.db2.gz IOGXBNNKRXVMJI-LLVKDONJSA-N 0 0 323.392 0.210 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CCO[C@]3(CCCOC3)C2)cnn1C ZINC000579392013 397563847 /nfs/dbraw/zinc/56/38/47/397563847.db2.gz LUWJSBMMNJYHGZ-OAHLLOKOSA-N 0 0 322.365 0.075 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000579457898 397568595 /nfs/dbraw/zinc/56/85/95/397568595.db2.gz JYRSQPCYWROUAG-QLFBSQMISA-N 0 0 323.437 0.614 10 0 DCAERN O=C(NCC1(CO)CCCC1)C(=O)Nc1ccc2nccn2c1 ZINC000579542877 397578127 /nfs/dbraw/zinc/57/81/27/397578127.db2.gz UGEQBTZIMFAHRS-UHFFFAOYSA-N 0 0 316.361 0.942 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ccc2nccnc2n1 ZINC000579067819 397518684 /nfs/dbraw/zinc/51/86/84/397518684.db2.gz BLCPDCLKANOFBC-VHSXEESVSA-N 0 0 317.349 0.267 10 0 DCAERN CC(C)CNC(=O)CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000370727458 397519454 /nfs/dbraw/zinc/51/94/54/397519454.db2.gz YJXIDHJTLCIRTG-UHFFFAOYSA-N 0 0 314.393 0.928 10 0 DCAERN CN(CCCO)C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000579071413 397519822 /nfs/dbraw/zinc/51/98/22/397519822.db2.gz RDWUOCHGXCVSMT-CYBMUJFWSA-N 0 0 317.389 0.843 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)CC[S@](=O)C1 ZINC000579791045 397592734 /nfs/dbraw/zinc/59/27/34/397592734.db2.gz XWPKLHVARCCCLZ-HFUQMLBGSA-N 0 0 305.440 0.243 10 0 DCAERN Cn1nnc(CNC(=O)Nc2ccc(N3CCCC3)nc2)n1 ZINC000579906475 397596940 /nfs/dbraw/zinc/59/69/40/397596940.db2.gz CWJJWKODEVLDNF-UHFFFAOYSA-N 0 0 302.342 0.527 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)Nc1c(C)nn(C)c1C ZINC000603613537 397618537 /nfs/dbraw/zinc/61/85/37/397618537.db2.gz ULYLUTZQTJYCSK-MRVPVSSYSA-N 0 0 302.400 0.982 10 0 DCAERN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063691 397659820 /nfs/dbraw/zinc/65/98/20/397659820.db2.gz RUOUGQFOWZFDCW-GXSJLCMTSA-N 0 0 301.346 0.683 10 0 DCAERN CN(C)c1ccc(NC(=O)NCc2nnnn2C2CC2)cn1 ZINC000608280438 397724009 /nfs/dbraw/zinc/72/40/09/397724009.db2.gz KFNIEEORGSJNBR-UHFFFAOYSA-N 0 0 302.342 0.791 10 0 DCAERN COC[C@@H](O)CNC(=O)NCCc1cccc(OC)c1OC ZINC000605220656 397662059 /nfs/dbraw/zinc/66/20/59/397662059.db2.gz GGFSHQKKBSIAFV-LBPRGKRZSA-N 0 0 312.366 0.553 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000606444921 397681752 /nfs/dbraw/zinc/68/17/52/397681752.db2.gz FXYJIYNTPYRBLQ-HSMVNMDESA-N 0 0 320.393 0.277 10 0 DCAERN CCC(C)(C)[C@@H](O)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC000606444869 397681930 /nfs/dbraw/zinc/68/19/30/397681930.db2.gz BYVZHASKCADMFI-WFASDCNBSA-N 0 0 323.437 0.954 10 0 DCAERN C[C@H](NCc1cn(C)nn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000608055613 397715179 /nfs/dbraw/zinc/71/51/79/397715179.db2.gz WXVRTHRTEQOGAQ-NSHDSACASA-N 0 0 323.422 0.916 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ncccc2C(=O)NC)CC1 ZINC000610410925 397819165 /nfs/dbraw/zinc/81/91/65/397819165.db2.gz YFGYTUFNGABDGM-UHFFFAOYSA-N 0 0 307.350 0.336 10 0 DCAERN COCC1(C)CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000408097957 292223716 /nfs/dbraw/zinc/22/37/16/292223716.db2.gz RMQBBEAVZMPYCN-UHFFFAOYSA-N 0 0 311.382 0.592 10 0 DCAERN COc1cc(C)c(S(=O)(=O)N2CCNC(=O)CC2)cc1C ZINC000056003029 286207706 /nfs/dbraw/zinc/20/77/06/286207706.db2.gz JTPCNAZZMZYJQS-UHFFFAOYSA-N 0 0 312.391 0.823 10 0 DCAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000189095150 286244090 /nfs/dbraw/zinc/24/40/90/286244090.db2.gz QSRGUXZLHNCWRA-AAVRWANBSA-N 0 0 312.410 0.630 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCC1(C)COC1)CC2 ZINC000163252506 286407829 /nfs/dbraw/zinc/40/78/29/286407829.db2.gz HYLBMMTXCTYLGO-QWHCGFSZSA-N 0 0 312.410 0.984 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000370473405 288460269 /nfs/dbraw/zinc/46/02/69/288460269.db2.gz RISNDNAFMDWMRU-GZBFAFLISA-N 0 0 314.451 0.754 10 0 DCAERN CS(=O)(=O)NCCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000031239995 157985090 /nfs/dbraw/zinc/98/50/90/157985090.db2.gz ZXYLETDNLFTUSC-UHFFFAOYSA-N 0 0 314.382 0.913 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1nncn1C)c1ccccc1 ZINC000047633196 158004041 /nfs/dbraw/zinc/00/40/41/158004041.db2.gz DRBAZGKSPAZFFX-MNOVXSKESA-N 0 0 322.390 0.855 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000049062941 158009433 /nfs/dbraw/zinc/00/94/33/158009433.db2.gz QHXREVIMFPVPED-NWDGAFQWSA-N 0 0 305.396 0.913 10 0 DCAERN Cn1cc(S(=O)(=O)NCc2cscn2)cc1C(N)=O ZINC000051159663 158013461 /nfs/dbraw/zinc/01/34/61/158013461.db2.gz NXRDMYAZCYPCCC-UHFFFAOYSA-N 0 0 300.365 0.059 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)NCc1cccnc1-n1cccn1 ZINC000063733459 158031422 /nfs/dbraw/zinc/03/14/22/158031422.db2.gz NYWZCBJBTGRVGE-GFCCVEGCSA-N 0 0 316.365 0.576 10 0 DCAERN CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)CC1 ZINC000065903151 158034630 /nfs/dbraw/zinc/03/46/30/158034630.db2.gz PPRPLAZJXORERR-UHFFFAOYSA-N 0 0 300.362 0.947 10 0 DCAERN O=C(CNc1cc(-n2cnnn2)ccc1F)NCC(F)(F)F ZINC000066469307 158035576 /nfs/dbraw/zinc/03/55/76/158035576.db2.gz CJXALHPETHLXGB-UHFFFAOYSA-N 0 0 318.234 0.892 10 0 DCAERN C[C@@H]1CN(C[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000066482039 158036165 /nfs/dbraw/zinc/03/61/65/158036165.db2.gz GJFXZWQEEKGANL-MJBXVCDLSA-N 0 0 324.421 0.776 10 0 DCAERN CCC(C)(C)NC(=O)CS(=O)(=O)c1nnc(N(C)C)s1 ZINC000066717554 158037278 /nfs/dbraw/zinc/03/72/78/158037278.db2.gz IGNCAKYLCUAGQQ-UHFFFAOYSA-N 0 0 320.440 0.683 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1CCNS(=O)(=O)CC ZINC000069222512 158045103 /nfs/dbraw/zinc/04/51/03/158045103.db2.gz XTWCVPCCPZEVFA-GFCCVEGCSA-N 0 0 305.444 0.259 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ncc[nH]1 ZINC000070979576 158048821 /nfs/dbraw/zinc/04/88/21/158048821.db2.gz IKCGAMZPQXNJIM-LLVKDONJSA-N 0 0 314.411 0.572 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CCO1 ZINC000072526209 158050231 /nfs/dbraw/zinc/05/02/31/158050231.db2.gz XKZKKPOWVSYUOD-AGIUHOORSA-N 0 0 321.381 0.263 10 0 DCAERN Cn1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1=O ZINC000074020121 158056918 /nfs/dbraw/zinc/05/69/18/158056918.db2.gz CAHUVXOBZMPGMN-UHFFFAOYSA-N 0 0 310.313 0.734 10 0 DCAERN O=C(CN1CCOc2ccc(Cl)cc21)N1CCNC(=O)C1 ZINC000075839655 158063568 /nfs/dbraw/zinc/06/35/68/158063568.db2.gz WCVDXDHZXHJJDZ-UHFFFAOYSA-N 0 0 309.753 0.497 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](OC)C1 ZINC000076245619 158064665 /nfs/dbraw/zinc/06/46/65/158064665.db2.gz BDNQADDOVMXFRP-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077700497 158069058 /nfs/dbraw/zinc/06/90/58/158069058.db2.gz XYICMEIPZAKINO-IUCAKERBSA-N 0 0 308.317 0.940 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077747405 158070322 /nfs/dbraw/zinc/07/03/22/158070322.db2.gz DHZGTASJWIMJPA-OIBJUYFYSA-N 0 0 304.285 0.265 10 0 DCAERN C[C@@H](O)CCNC(=O)CCNS(=O)(=O)c1cccs1 ZINC000080115254 158079951 /nfs/dbraw/zinc/07/99/51/158079951.db2.gz WNVJQOAAQRYILD-SECBINFHSA-N 0 0 306.409 0.304 10 0 DCAERN NC(=O)Cn1cc(C(=O)N2CC=C(c3cccs3)CC2)nn1 ZINC000080360682 158081146 /nfs/dbraw/zinc/08/11/46/158081146.db2.gz YSPBXPWIWPDIJG-UHFFFAOYSA-N 0 0 317.374 0.754 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000081467927 158084631 /nfs/dbraw/zinc/08/46/31/158084631.db2.gz GCHWVHGJKUFFEM-ZDUSSCGKSA-N 0 0 319.405 0.874 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000083089596 158086911 /nfs/dbraw/zinc/08/69/11/158086911.db2.gz GAYDUONLESWLAG-UHFFFAOYSA-N 0 0 300.405 0.913 10 0 DCAERN COCCN(Cc1cccnc1)C(=O)c1cc(C(N)=O)cn1C ZINC000087276322 158091907 /nfs/dbraw/zinc/09/19/07/158091907.db2.gz ZXOSQRUEGVGCBB-UHFFFAOYSA-N 0 0 316.361 0.808 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)CCOC ZINC000088787037 158096129 /nfs/dbraw/zinc/09/61/29/158096129.db2.gz RUWKETLVYNVHTI-JTQLQIEISA-N 0 0 317.415 0.088 10 0 DCAERN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CNC(=O)C1 ZINC000090501054 158103085 /nfs/dbraw/zinc/10/30/85/158103085.db2.gz MVBOOYJFBUVLIQ-UONOGXRCSA-N 0 0 315.373 0.430 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc(-c2ccco2)on1 ZINC000090698326 158105006 /nfs/dbraw/zinc/10/50/06/158105006.db2.gz YCZZBMSDHIVYMX-NSHDSACASA-N 0 0 302.334 0.664 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091075985 158106129 /nfs/dbraw/zinc/10/61/29/158106129.db2.gz QZLGLDJVBGTCEF-UHFFFAOYSA-N 0 0 316.361 0.505 10 0 DCAERN NC(=O)C[C@@H](N)C(=O)Nc1cc(Br)ccc1O ZINC000094573752 158122212 /nfs/dbraw/zinc/12/22/12/158122212.db2.gz IKYNYHAKIUCOBG-ZCFIWIBFSA-N 0 0 302.128 0.296 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC[C@H](c3nccs3)C2)C1=O ZINC000109053564 158136969 /nfs/dbraw/zinc/13/69/69/158136969.db2.gz JIVZGFOTCAAZST-JTQLQIEISA-N 0 0 322.390 0.743 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3ccnn3C)CC2)no1 ZINC000110945529 158138266 /nfs/dbraw/zinc/13/82/66/158138266.db2.gz QHOOOJLLGXXKOK-UHFFFAOYSA-N 0 0 304.354 0.460 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000110882331 158138763 /nfs/dbraw/zinc/13/87/63/158138763.db2.gz KCOWRZQRYIEWLC-WDEREUQCSA-N 0 0 324.406 0.834 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112650245 158143307 /nfs/dbraw/zinc/14/33/07/158143307.db2.gz RFGNPAQPKYUMPF-RYUDHWBXSA-N 0 0 305.382 0.356 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@H]2CCc3ncnn3C2)cs1 ZINC000112651033 158144283 /nfs/dbraw/zinc/14/42/83/158144283.db2.gz RWKOQTHBEZUJEC-QMMMGPOBSA-N 0 0 306.351 0.438 10 0 DCAERN CCCNC(=O)CN1CCC(NC(=O)NCC[C@@H](C)O)CC1 ZINC000114823129 158157664 /nfs/dbraw/zinc/15/76/64/158157664.db2.gz IAHDKELYMAQWRT-GFCCVEGCSA-N 0 0 314.430 0.047 10 0 DCAERN CCCNC(=O)CCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114866544 158158803 /nfs/dbraw/zinc/15/88/03/158158803.db2.gz OFUYTCHVNYNSCL-LLVKDONJSA-N 0 0 307.398 0.578 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC000114865337 158159050 /nfs/dbraw/zinc/15/90/50/158159050.db2.gz JAAOESGEYHGKBA-SNVBAGLBSA-N 0 0 323.397 0.796 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)NCCCN1CCCC1=O ZINC000114907897 158159332 /nfs/dbraw/zinc/15/93/32/158159332.db2.gz BZEDYGXQZKYPOX-CYBMUJFWSA-N 0 0 310.398 0.165 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccnc1)CC2 ZINC000114874873 158159375 /nfs/dbraw/zinc/15/93/75/158159375.db2.gz PPAYCZIPIZQHCM-SNVBAGLBSA-N 0 0 307.379 0.529 10 0 DCAERN CN1CC[C@H](N2CCCN(Cc3noc(C4CC4)n3)CC2)C1=O ZINC000116278293 158164408 /nfs/dbraw/zinc/16/44/08/158164408.db2.gz IZSBJHPRKKLPAM-ZDUSSCGKSA-N 0 0 319.409 0.685 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116892462 158168899 /nfs/dbraw/zinc/16/88/99/158168899.db2.gz XPBJLGINLHDZKL-FRRDWIJNSA-N 0 0 317.455 0.305 10 0 DCAERN COCCN1CCN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C ZINC000117285501 158169969 /nfs/dbraw/zinc/16/99/69/158169969.db2.gz HQLJSQQAOKMGFJ-CQSZACIVSA-N 0 0 313.442 0.860 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2cnn(C)c2)C[C@H]1C ZINC000117282366 158170457 /nfs/dbraw/zinc/17/04/57/158170457.db2.gz OMEPETKCXPBRRU-CQSZACIVSA-N 0 0 308.426 0.922 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NCc2noc(C)n2)c1=O ZINC000118645770 158177384 /nfs/dbraw/zinc/17/73/84/158177384.db2.gz QSIDDUFUCJBBPD-UHFFFAOYSA-N 0 0 315.333 0.831 10 0 DCAERN CCc1nccn1[C@H]1CCCN(C(=O)CSCC(N)=O)C1 ZINC000118334237 158178367 /nfs/dbraw/zinc/17/83/67/158178367.db2.gz PKQFKJVFTXYFEA-NSHDSACASA-N 0 0 310.423 0.828 10 0 DCAERN O=C(CNC(=O)N1CCO[C@H](c2ccco2)C1)N1CCCC1 ZINC000119034775 158180696 /nfs/dbraw/zinc/18/06/96/158180696.db2.gz BPCNOXIXDHOGPV-ZDUSSCGKSA-N 0 0 307.350 0.985 10 0 DCAERN CCc1cnccc1C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000119108947 158182428 /nfs/dbraw/zinc/18/24/28/158182428.db2.gz VLHWSPNILDLCBS-AWEZNQCLSA-N 0 0 307.394 0.409 10 0 DCAERN CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H](C)CS(=O)(=O)CC ZINC000119168979 158184010 /nfs/dbraw/zinc/18/40/10/158184010.db2.gz NAOSIVJDTTZRIJ-NEPJUHHUSA-N 0 0 313.485 0.812 10 0 DCAERN CCCN(C)S(=O)(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000119556498 158188623 /nfs/dbraw/zinc/18/86/23/158188623.db2.gz CBEPUMCJYFIGAP-UHFFFAOYSA-N 0 0 305.444 0.810 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000119922674 158191182 /nfs/dbraw/zinc/19/11/82/158191182.db2.gz MZHQHARMJNDDKL-JTQLQIEISA-N 0 0 308.382 0.861 10 0 DCAERN CN1CCN(C(=O)CC2CCN(Cc3cncnc3)CC2)CC1 ZINC000119996870 158191763 /nfs/dbraw/zinc/19/17/63/158191763.db2.gz WBKJSCXDZCTVSY-UHFFFAOYSA-N 0 0 317.437 0.853 10 0 DCAERN CNC(=O)CCCN(C)C(=O)c1cccc(-n2cncn2)c1 ZINC000120027451 158192143 /nfs/dbraw/zinc/19/21/43/158192143.db2.gz VMJOPWSGARGZIR-UHFFFAOYSA-N 0 0 301.350 0.866 10 0 DCAERN COc1cc(C)ccc1NC(=O)C(=O)NCc1ccnn1C ZINC000120328461 158196671 /nfs/dbraw/zinc/19/66/71/158196671.db2.gz SFXQCVCOYLTJBS-UHFFFAOYSA-N 0 0 302.334 0.992 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000120603553 158201113 /nfs/dbraw/zinc/20/11/13/158201113.db2.gz FCXSRRKFPIGUNA-GFCCVEGCSA-N 0 0 309.414 0.280 10 0 DCAERN O=S(=O)(NC1CC1)[C@H]1CCN(Cc2noc(C3CC3)n2)C1 ZINC000120774495 158203635 /nfs/dbraw/zinc/20/36/35/158203635.db2.gz JSBOPEUSHOJRRT-NSHDSACASA-N 0 0 312.395 0.603 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1C ZINC000121030906 158206849 /nfs/dbraw/zinc/20/68/49/158206849.db2.gz XFFSBIYNGOYEHP-WPRPVWTQSA-N 0 0 300.384 0.003 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2F)C1 ZINC000121263714 158209120 /nfs/dbraw/zinc/20/91/20/158209120.db2.gz NHAHMDKWCMIASJ-NSHDSACASA-N 0 0 307.325 0.891 10 0 DCAERN CCN(CCCNC(=O)[C@H](C)C1CCOCC1)S(C)(=O)=O ZINC000121543708 158211585 /nfs/dbraw/zinc/21/15/85/158211585.db2.gz HIZZVMWVRWKXPG-GFCCVEGCSA-N 0 0 320.455 0.837 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000121819613 158215457 /nfs/dbraw/zinc/21/54/57/158215457.db2.gz VTAUMSGUHQZNCM-NEPJUHHUSA-N 0 0 318.377 0.855 10 0 DCAERN CCCn1cc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)cn1 ZINC000122015907 158217081 /nfs/dbraw/zinc/21/70/81/158217081.db2.gz IVKBVEWTJLOETB-UHFFFAOYSA-N 0 0 321.425 0.462 10 0 DCAERN C[C@@H](c1ccncc1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000122030838 158217781 /nfs/dbraw/zinc/21/77/81/158217781.db2.gz QIJFSMNVISLXJU-JTQLQIEISA-N 0 0 304.350 0.931 10 0 DCAERN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122450731 158221146 /nfs/dbraw/zinc/22/11/46/158221146.db2.gz KAINVHIZLMJGEK-VHSXEESVSA-N 0 0 304.412 0.183 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC(CO)C1 ZINC000122727802 158222691 /nfs/dbraw/zinc/22/26/91/158222691.db2.gz SBTXOCPTABHLQU-LLVKDONJSA-N 0 0 310.300 0.768 10 0 DCAERN C[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)Cn1cccn1 ZINC000124167240 158237943 /nfs/dbraw/zinc/23/79/43/158237943.db2.gz ITRHBPMDHQZYGW-VXGBXAGGSA-N 0 0 314.411 0.348 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000124415494 158242106 /nfs/dbraw/zinc/24/21/06/158242106.db2.gz KZMBEUCYHFNGDU-LLVKDONJSA-N 0 0 320.384 0.884 10 0 DCAERN CCOc1c(F)cccc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000124422267 158242197 /nfs/dbraw/zinc/24/21/97/158242197.db2.gz CUGGDMPSHXZRSB-NSHDSACASA-N 0 0 324.352 0.890 10 0 DCAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)CN1CC(=O)NC1=O ZINC000124593595 158243361 /nfs/dbraw/zinc/24/33/61/158243361.db2.gz OIZNIKDEZRAREQ-UHFFFAOYSA-N 0 0 313.716 0.989 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC[C@H](O)C(C)C ZINC000126258971 158263320 /nfs/dbraw/zinc/26/33/20/158263320.db2.gz UTCAHPXQFXUGBV-JTQLQIEISA-N 0 0 319.379 0.978 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000126997563 158270096 /nfs/dbraw/zinc/27/00/96/158270096.db2.gz RHUXWPWINKAKHE-WCQYABFASA-N 0 0 310.419 0.953 10 0 DCAERN O=C(NCCCOCC1CC1)NC[C@@]1(CCO)CCOC1 ZINC000127844430 158277031 /nfs/dbraw/zinc/27/70/31/158277031.db2.gz NBRFLGZBSXSBOK-OAHLLOKOSA-N 0 0 300.399 0.891 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H](C(N)=O)O1 ZINC000128528632 158280824 /nfs/dbraw/zinc/28/08/24/158280824.db2.gz OHZPNWOZFBFESX-ZWNOBZJWSA-N 0 0 306.366 0.713 10 0 DCAERN O=C(NCCCNc1ccccn1)NC[C@]1(CCO)CCOC1 ZINC000128396527 158281072 /nfs/dbraw/zinc/28/10/72/158281072.db2.gz AEJSGAZGNRKRHR-INIZCTEOSA-N 0 0 322.409 0.972 10 0 DCAERN COc1ccc(F)cc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000129014609 158284622 /nfs/dbraw/zinc/28/46/22/158284622.db2.gz VCORTURASMHXNW-GFCCVEGCSA-N 0 0 312.341 0.257 10 0 DCAERN O=S(=O)(c1ccc(O)cc1)N1CCC(OCCO)CC1 ZINC000129128653 158286302 /nfs/dbraw/zinc/28/63/02/158286302.db2.gz ATMIJVDFKPOZAN-UHFFFAOYSA-N 0 0 301.364 0.554 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NC(C)(C)CC(N)=O)cc1C ZINC000129721787 158291336 /nfs/dbraw/zinc/29/13/36/158291336.db2.gz GWEMTITYZPGJCW-UHFFFAOYSA-N 0 0 305.378 0.803 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cn1 ZINC000129990325 158292091 /nfs/dbraw/zinc/29/20/91/158292091.db2.gz UZADIAROGHXRFL-UHFFFAOYSA-N 0 0 316.365 0.971 10 0 DCAERN COc1ccc2c(c1)C=C(C(=O)NC[C@H]1CN(C)CCO1)CO2 ZINC000130272591 158294255 /nfs/dbraw/zinc/29/42/55/158294255.db2.gz KJNRREDCCDKMCO-HNNXBMFYSA-N 0 0 318.373 0.918 10 0 DCAERN O=C(CNC(=O)c1cc(N2CCCC2=O)ccc1F)NC1CC1 ZINC000131744112 158304740 /nfs/dbraw/zinc/30/47/40/158304740.db2.gz XHZPTFCSXRMMSI-UHFFFAOYSA-N 0 0 319.336 0.961 10 0 DCAERN COC[C@H](O)CCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000131800280 158305268 /nfs/dbraw/zinc/30/52/68/158305268.db2.gz IBFRIKRKJOMKIQ-CQSZACIVSA-N 0 0 322.409 0.747 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000131847449 158305787 /nfs/dbraw/zinc/30/57/87/158305787.db2.gz JZRHIPLTGTTZLD-LBPRGKRZSA-N 0 0 324.402 0.370 10 0 DCAERN COc1cccc(N2CCN(C(=O)[C@@H]3COCCN3)CC2)c1 ZINC000132013518 158306946 /nfs/dbraw/zinc/30/69/46/158306946.db2.gz AUYJPCJCOSXMQI-HNNXBMFYSA-N 0 0 305.378 0.332 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)N1CCCCC1 ZINC000132262784 158309283 /nfs/dbraw/zinc/30/92/83/158309283.db2.gz JDOSNZGORMNEQS-QWHCGFSZSA-N 0 0 304.394 0.963 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132261195 158309458 /nfs/dbraw/zinc/30/94/58/158309458.db2.gz WUQGOLUSORTFIF-WDEREUQCSA-N 0 0 324.402 0.864 10 0 DCAERN O=C(CCC(=O)N1CCO[C@H]2CCCC[C@H]21)N1CCOCC1 ZINC000132384748 158310431 /nfs/dbraw/zinc/31/04/31/158310431.db2.gz KMHKNCPWXQVCAT-KGLIPLIRSA-N 0 0 310.394 0.795 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)n1 ZINC000132688756 158313293 /nfs/dbraw/zinc/31/32/93/158313293.db2.gz CZBICIXITBRNSZ-NEPJUHHUSA-N 0 0 322.413 0.610 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000134021354 158323218 /nfs/dbraw/zinc/32/32/18/158323218.db2.gz PMYMFWSEPFIHIJ-OLZOCXBDSA-N 0 0 303.362 0.111 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cnn(C)c1C)CC2 ZINC000134854974 158330704 /nfs/dbraw/zinc/33/07/04/158330704.db2.gz QKBOBNYKOJSTOH-ZDUSSCGKSA-N 0 0 316.409 0.946 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134794470 158331204 /nfs/dbraw/zinc/33/12/04/158331204.db2.gz SGHXRXVCXATHCV-KOLCDFICSA-N 0 0 310.785 0.955 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000134819615 158331391 /nfs/dbraw/zinc/33/13/91/158331391.db2.gz GJDSFAOWJFJSQT-NSHDSACASA-N 0 0 310.785 0.908 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000135499619 158338024 /nfs/dbraw/zinc/33/80/24/158338024.db2.gz WXFNTYGGXCBDSK-QWRGUYRKSA-N 0 0 314.411 0.601 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000136004895 158341810 /nfs/dbraw/zinc/34/18/10/158341810.db2.gz HYOHKNCLVSWMST-OLZOCXBDSA-N 0 0 312.391 0.757 10 0 DCAERN O=C(Cc1ccc(O)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000136129729 158341884 /nfs/dbraw/zinc/34/18/84/158341884.db2.gz MLZHBFMKPUUKML-SECBINFHSA-N 0 0 303.767 0.891 10 0 DCAERN O=C(NCC1CC1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000136961646 158343571 /nfs/dbraw/zinc/34/35/71/158343571.db2.gz MPPNEVVMKLHGTD-LBPRGKRZSA-N 0 0 301.412 0.606 10 0 DCAERN O=C(NCCNS(=O)(=O)CCCC(F)(F)F)C1CC1 ZINC000165840620 158365435 /nfs/dbraw/zinc/36/54/35/158365435.db2.gz GJVOKRZUYCLTDC-UHFFFAOYSA-N 0 0 302.318 0.775 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000166710254 158367363 /nfs/dbraw/zinc/36/73/63/158367363.db2.gz YYALADWYSGLRTD-GFCCVEGCSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1CCCC1=O ZINC000170316014 158374560 /nfs/dbraw/zinc/37/45/60/158374560.db2.gz DGACBNKRKLCOQL-QWHCGFSZSA-N 0 0 309.410 0.810 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)NCC1CCOCC1 ZINC000170627657 158374921 /nfs/dbraw/zinc/37/49/21/158374921.db2.gz WCKZOXCWISBBJQ-UHFFFAOYSA-N 0 0 318.420 0.860 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)N[C@H]1CCCOC1 ZINC000171595063 158384769 /nfs/dbraw/zinc/38/47/69/158384769.db2.gz UGMCSIURQFWZMP-ZDUSSCGKSA-N 0 0 305.382 0.924 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H]3CCCOC3)CC2)n1 ZINC000171685763 158385389 /nfs/dbraw/zinc/38/53/89/158385389.db2.gz DGDZVIFBZZJPIE-ZDUSSCGKSA-N 0 0 320.393 0.997 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CC1CCCCC1 ZINC000171650335 158385855 /nfs/dbraw/zinc/38/58/55/158385855.db2.gz HGDNDAAJVCDLOT-ZDUSSCGKSA-N 0 0 309.410 0.810 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171763037 158386722 /nfs/dbraw/zinc/38/67/22/158386722.db2.gz GHNBDNWUPJLSOW-STQMWFEESA-N 0 0 312.391 0.379 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)n1 ZINC000171761723 158386742 /nfs/dbraw/zinc/38/67/42/158386742.db2.gz QQOLMQMOULTQHC-OCCSQVGLSA-N 0 0 302.334 0.878 10 0 DCAERN O=C(CCn1ccnn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000171865993 158387448 /nfs/dbraw/zinc/38/74/48/158387448.db2.gz STUMEDOIBFYYPN-CQSZACIVSA-N 0 0 307.398 0.382 10 0 DCAERN O=C(CCn1ccnn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000171865995 158387534 /nfs/dbraw/zinc/38/75/34/158387534.db2.gz STUMEDOIBFYYPN-AWEZNQCLSA-N 0 0 307.398 0.382 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986916 158389438 /nfs/dbraw/zinc/38/94/38/158389438.db2.gz ROOWWAUVSVAHDU-XJKSGUPXSA-N 0 0 317.389 0.848 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2nccn2c1 ZINC000172249863 158392004 /nfs/dbraw/zinc/39/20/04/158392004.db2.gz UFZCXYXVLBUPET-CQSZACIVSA-N 0 0 300.362 0.927 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000172360695 158393946 /nfs/dbraw/zinc/39/39/46/158393946.db2.gz SHEKZNASJCUOAU-LBPRGKRZSA-N 0 0 316.361 0.449 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCc1nccn1C(F)F ZINC000172529099 158394915 /nfs/dbraw/zinc/39/49/15/158394915.db2.gz VUGHQDNWVZBQGA-UHFFFAOYSA-N 0 0 309.276 0.719 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1COc2ccccc2C1 ZINC000172512557 158394940 /nfs/dbraw/zinc/39/49/40/158394940.db2.gz IWAFJSCSUBZAAV-ZDUSSCGKSA-N 0 0 311.341 0.931 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1ccc(-n2cncn2)nc1 ZINC000172506104 158395020 /nfs/dbraw/zinc/39/50/20/158395020.db2.gz IZUZQSYZIZARLU-UHFFFAOYSA-N 0 0 323.316 0.426 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000172625084 158396345 /nfs/dbraw/zinc/39/63/45/158396345.db2.gz IYPXOFSPZOGILS-LBPRGKRZSA-N 0 0 317.267 0.337 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000172650120 158397608 /nfs/dbraw/zinc/39/76/08/158397608.db2.gz LUQUVPLAFLWHSL-SKDRFNHKSA-N 0 0 307.325 0.925 10 0 DCAERN C[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@H]1C ZINC000172648536 158397736 /nfs/dbraw/zinc/39/77/36/158397736.db2.gz CPLHPQALKXEDEJ-MNOVXSKESA-N 0 0 303.366 0.777 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172752450 158398371 /nfs/dbraw/zinc/39/83/71/158398371.db2.gz DLSJCBLAEOTGBM-CQSZACIVSA-N 0 0 311.426 0.614 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172751108 158398575 /nfs/dbraw/zinc/39/85/75/158398575.db2.gz OQRYDATZZVBIJY-ZDUSSCGKSA-N 0 0 320.393 0.153 10 0 DCAERN CCCO[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC000173136228 158404237 /nfs/dbraw/zinc/40/42/37/158404237.db2.gz MDHYFSMHWUNERE-NSHDSACASA-N 0 0 309.370 0.185 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCN(Cc2ccon2)CC1 ZINC000173938539 158413164 /nfs/dbraw/zinc/41/31/64/158413164.db2.gz NHWFAHDFRVCUGG-SNVBAGLBSA-N 0 0 320.315 0.859 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)NCCc2cc(F)ccc2F)CCO1 ZINC000176456114 158437429 /nfs/dbraw/zinc/43/74/29/158437429.db2.gz XFICTLGOHWIFAK-GFCCVEGCSA-N 0 0 313.304 0.403 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000179562401 158474012 /nfs/dbraw/zinc/47/40/12/158474012.db2.gz VTJVYLJXEPKNOO-ZJUUUORDSA-N 0 0 308.386 0.621 10 0 DCAERN COCc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)no1 ZINC000182574511 158492545 /nfs/dbraw/zinc/49/25/45/158492545.db2.gz HGBYCELHDAZYSV-UHFFFAOYSA-N 0 0 324.362 0.426 10 0 DCAERN CC(C)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000183351426 158498112 /nfs/dbraw/zinc/49/81/12/158498112.db2.gz YSTFCAZJQFZJGS-ZDUSSCGKSA-N 0 0 312.391 0.685 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC(OCCCOC)C1 ZINC000183965884 158503739 /nfs/dbraw/zinc/50/37/39/158503739.db2.gz KAMMGJJRVOUHMW-UHFFFAOYSA-N 0 0 306.428 0.700 10 0 DCAERN COc1cc(N2CCN(CC(=O)c3cccn3C)CC2)ncn1 ZINC000184089051 158505728 /nfs/dbraw/zinc/50/57/28/158505728.db2.gz QSTODLNZXYUKTI-UHFFFAOYSA-N 0 0 315.377 0.829 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000184646823 158510425 /nfs/dbraw/zinc/51/04/25/158510425.db2.gz POPZAFLZLPECNJ-GFCCVEGCSA-N 0 0 302.400 0.671 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2nc(C)cs2)C1 ZINC000185352049 158519481 /nfs/dbraw/zinc/51/94/81/158519481.db2.gz MMWYDYPPZWVLNB-VIFPVBQESA-N 0 0 312.395 0.669 10 0 DCAERN Cn1nc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1OC(F)F ZINC000185633074 158522159 /nfs/dbraw/zinc/52/21/59/158522159.db2.gz VALCJAYYVYRDKZ-JGVFFNPUSA-N 0 0 316.308 0.795 10 0 DCAERN CN1CCCN(C(=O)NCCC(=O)NC2CCCCC2)CC1=O ZINC000187860232 158541182 /nfs/dbraw/zinc/54/11/82/158541182.db2.gz WJVPAQKYBFOFHY-UHFFFAOYSA-N 0 0 324.425 0.699 10 0 DCAERN NC(=O)CSCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188085057 158542726 /nfs/dbraw/zinc/54/27/26/158542726.db2.gz OEFPPFLBHUXQDZ-UHFFFAOYSA-N 0 0 323.422 0.154 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189432944 158553238 /nfs/dbraw/zinc/55/32/38/158553238.db2.gz OKVVVSWMRYLIIW-UHFFFAOYSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000190321183 158559293 /nfs/dbraw/zinc/55/92/93/158559293.db2.gz KGTOWUHUUGDDQA-WCQYABFASA-N 0 0 314.411 0.497 10 0 DCAERN CCn1cc([C@@H]2CN(C[C@H](O)CN3CCCC3=O)CCO2)cn1 ZINC000190827045 158563662 /nfs/dbraw/zinc/56/36/62/158563662.db2.gz IIWKLVCWYQLWML-GJZGRUSLSA-N 0 0 322.409 0.260 10 0 DCAERN CCN1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1=O ZINC000191538332 158569153 /nfs/dbraw/zinc/56/91/53/158569153.db2.gz SIUNRCGEGFEHCF-UHFFFAOYSA-N 0 0 311.407 0.559 10 0 DCAERN CCN1CN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O ZINC000191561163 158569288 /nfs/dbraw/zinc/56/92/88/158569288.db2.gz UXOXRCHEAWTBQT-UHFFFAOYSA-N 0 0 304.350 0.705 10 0 DCAERN Cc1ccc(CS(=O)(=O)N2CCOC[C@H]2C(N)=O)c(F)c1 ZINC000192822079 158577994 /nfs/dbraw/zinc/57/79/94/158577994.db2.gz SLHKAOCVVOTRGJ-LBPRGKRZSA-N 0 0 316.354 0.150 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000192845686 158578866 /nfs/dbraw/zinc/57/88/66/158578866.db2.gz GVTNKQLHLBMRMN-JGGQBBKZSA-N 0 0 320.389 0.860 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 ZINC000195105227 158604805 /nfs/dbraw/zinc/60/48/05/158604805.db2.gz BEBSDVOOZDINFE-LBPRGKRZSA-N 0 0 314.349 0.178 10 0 DCAERN CCN(CC(C)(C)O)S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000233458533 158628847 /nfs/dbraw/zinc/62/88/47/158628847.db2.gz TURPIYWXKUFKLK-QWRGUYRKSA-N 0 0 307.412 0.751 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@H]1CO ZINC000246429802 158664440 /nfs/dbraw/zinc/66/44/40/158664440.db2.gz SXGMEDNRJFEPMR-OLZOCXBDSA-N 0 0 305.382 0.612 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)[C@@H]2CCO[C@H]21 ZINC000246947604 158674476 /nfs/dbraw/zinc/67/44/76/158674476.db2.gz KJEJNEJXLPHRSI-BYNSBNAKSA-N 0 0 323.437 0.916 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)CC2 ZINC000248962069 158700366 /nfs/dbraw/zinc/70/03/66/158700366.db2.gz REFLBPQRECBJEU-HBNTYKKESA-N 0 0 314.411 0.252 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250655637 158711805 /nfs/dbraw/zinc/71/18/05/158711805.db2.gz BEHRVFICINRWBI-JSGCOSHPSA-N 0 0 319.423 0.896 10 0 DCAERN CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2CC(F)(F)CN2)n1 ZINC000263203973 158862507 /nfs/dbraw/zinc/86/25/07/158862507.db2.gz JLYNAROIZNKPQU-HTQZYQBOSA-N 0 0 304.297 0.733 10 0 DCAERN Cn1ncc2c1nc(N1CCC[C@@H]1C(=O)NC1CC1)nc2N ZINC000276501977 158943610 /nfs/dbraw/zinc/94/36/10/158943610.db2.gz RMPRGILXBSTYJD-SNVBAGLBSA-N 0 0 301.354 0.193 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000285402096 158964825 /nfs/dbraw/zinc/96/48/25/158964825.db2.gz GZQDJZSTSVCJMD-LLVKDONJSA-N 0 0 317.139 0.495 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000328661713 159018513 /nfs/dbraw/zinc/01/85/13/159018513.db2.gz AJYAEGYHCTVJHC-LBPRGKRZSA-N 0 0 321.768 0.810 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000328665257 159018855 /nfs/dbraw/zinc/01/88/55/159018855.db2.gz ZASGKTALPMEJMR-ZIAGYGMSSA-N 0 0 305.353 0.919 10 0 DCAERN CCc1nnc(CN2CCN(Cc3noc(C)n3)CC2)n1C ZINC000328683021 159020315 /nfs/dbraw/zinc/02/03/15/159020315.db2.gz VZNMYVDLRTZKAL-UHFFFAOYSA-N 0 0 305.386 0.387 10 0 DCAERN Cn1nnc(CN2CCc3ccc(S(C)(=O)=O)cc3CC2)n1 ZINC000328704042 159023270 /nfs/dbraw/zinc/02/32/70/159023270.db2.gz OOFOJXHVOQRSGH-UHFFFAOYSA-N 0 0 321.406 0.214 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@@H]1N1CCOCC1 ZINC000328766017 159028122 /nfs/dbraw/zinc/02/81/22/159028122.db2.gz GZXBKQNZAKNWGI-JMSVASOKSA-N 0 0 319.409 0.089 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@@H](n3cncn3)C2)no1 ZINC000328853727 159035088 /nfs/dbraw/zinc/03/50/88/159035088.db2.gz CFDVHILKKFALMU-GFCCVEGCSA-N 0 0 311.367 0.741 10 0 DCAERN C[C@H](CC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)N1CCCCC1=O ZINC000328869262 159035991 /nfs/dbraw/zinc/03/59/91/159035991.db2.gz HNYCXUIJIIMOQU-ILXRZTDVSA-N 0 0 323.437 0.709 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cn4ccnc4s3)C[C@H]21 ZINC000328892906 159038613 /nfs/dbraw/zinc/03/86/13/159038613.db2.gz UFBGVAVOFMCTHD-GHMZBOCLSA-N 0 0 306.391 0.941 10 0 DCAERN CCc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(=O)[nH]1 ZINC000328905142 159039790 /nfs/dbraw/zinc/03/97/90/159039790.db2.gz JWDKSDLEOOKJLN-ZIAGYGMSSA-N 0 0 305.378 0.895 10 0 DCAERN Cc1cc(COCC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)on1 ZINC000328905462 159039798 /nfs/dbraw/zinc/03/97/98/159039798.db2.gz KAKPRLBUXJZLAT-UONOGXRCSA-N 0 0 309.366 0.431 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CCC[C@H]1Cn1ccnn1 ZINC000328911752 159041332 /nfs/dbraw/zinc/04/13/32/159041332.db2.gz GSFIFHHTXNYXGN-ZDUSSCGKSA-N 0 0 314.411 0.499 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329028692 159053880 /nfs/dbraw/zinc/05/38/80/159053880.db2.gz KNDHRMJDHJLJDP-MNOVXSKESA-N 0 0 311.407 0.131 10 0 DCAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2S(=O)(=O)[C@@H]1CCCOC1 ZINC000329083011 159060503 /nfs/dbraw/zinc/06/05/03/159060503.db2.gz SOINCDAERCDMQF-GMDXDWKASA-N 0 0 301.408 0.850 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000329176437 159070547 /nfs/dbraw/zinc/07/05/47/159070547.db2.gz MVVUSGBEYBYMMU-GHMZBOCLSA-N 0 0 317.411 0.378 10 0 DCAERN O=C1NC2(CCOCC2)C(=O)N1[C@H]1CCN(c2ccccn2)C1 ZINC000329193213 159072353 /nfs/dbraw/zinc/07/23/53/159072353.db2.gz TZVONPQQRTVLHH-LBPRGKRZSA-N 0 0 316.361 0.966 10 0 DCAERN O=S(=O)(c1cnc2n1CCC2)N1CCC[C@](F)(CO)C1 ZINC000329235456 159075689 /nfs/dbraw/zinc/07/56/89/159075689.db2.gz NNFCTWMONAKNSP-GFCCVEGCSA-N 0 0 303.359 0.314 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc3ccncc32)CCS1(=O)=O ZINC000329271507 159078380 /nfs/dbraw/zinc/07/83/80/159078380.db2.gz ICYXHFCAFDESMP-JTQLQIEISA-N 0 0 305.359 0.889 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)CCS1(=O)=O ZINC000329274655 159078494 /nfs/dbraw/zinc/07/84/94/159078494.db2.gz JLWFZOMAOAUSPJ-SNVBAGLBSA-N 0 0 307.375 0.751 10 0 DCAERN C[C@@H]1CN(CCN(C)C(=O)c2cnn3ccncc23)C[C@H](C)O1 ZINC000329321359 159082508 /nfs/dbraw/zinc/08/25/08/159082508.db2.gz JDBAJAQPWIGRMG-BETUJISGSA-N 0 0 317.393 0.911 10 0 DCAERN CCN1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1=O ZINC000329420134 159091552 /nfs/dbraw/zinc/09/15/52/159091552.db2.gz HEEKITDSAOOTMF-KGLIPLIRSA-N 0 0 309.410 0.321 10 0 DCAERN C[C@]12CCCN1C(=O)N(C[C@H]1CCCN1S(C)(=O)=O)C2=O ZINC000329483033 159096116 /nfs/dbraw/zinc/09/61/16/159096116.db2.gz RSTYPWHELHLXCI-ZWNOBZJWSA-N 0 0 315.395 0.227 10 0 DCAERN CN(C(=O)c1cnc2n(c1=O)CCS2)[C@H]1C[NH+]2CCC1CC2 ZINC000329491121 159097498 /nfs/dbraw/zinc/09/74/98/159097498.db2.gz SRTRMGNQVJCNCV-LBPRGKRZSA-N 0 0 320.418 0.515 10 0 DCAERN Cc1cnn(CCC(=O)N2CCO[C@@H](c3noc(C)n3)C2)c1 ZINC000329522532 159100408 /nfs/dbraw/zinc/10/04/08/159100408.db2.gz GDHSXCINXZOKTF-GFCCVEGCSA-N 0 0 305.338 0.873 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1C(=O)COC[C@H]1CCOC1 ZINC000329565620 159102874 /nfs/dbraw/zinc/10/28/74/159102874.db2.gz OKNUAVSBJKAOIX-QWRGUYRKSA-N 0 0 302.396 0.029 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC000329582333 159104895 /nfs/dbraw/zinc/10/48/95/159104895.db2.gz QHTXFOVEBTZDSE-TZMCWYRMSA-N 0 0 321.425 0.968 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329646440 159109587 /nfs/dbraw/zinc/10/95/87/159109587.db2.gz BATNPESVGFQGRC-ZIAGYGMSSA-N 0 0 308.382 0.570 10 0 DCAERN CCN1C[C@H](C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1=O ZINC000329721243 159114154 /nfs/dbraw/zinc/11/41/54/159114154.db2.gz NAHJBQXVIAUBRM-MGPQQGTHSA-N 0 0 309.410 0.176 10 0 DCAERN c1[nH]nc2c1C[C@H](c1nc([C@H]3CN4CCN3CC4)no1)CC2 ZINC000329739023 159116100 /nfs/dbraw/zinc/11/61/00/159116100.db2.gz UQZAFZNYNWWUDH-ZWNOBZJWSA-N 0 0 300.366 0.738 10 0 DCAERN COCC1(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CCOCC1 ZINC000329744514 159116544 /nfs/dbraw/zinc/11/65/44/159116544.db2.gz XUBLJMQMIZRAJI-KGLIPLIRSA-N 0 0 312.410 0.361 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2n1 ZINC000329758028 159117085 /nfs/dbraw/zinc/11/70/85/159117085.db2.gz NIQCRBLQKQHAIC-AVGNSLFASA-N 0 0 315.377 0.513 10 0 DCAERN CC1(CCS(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 ZINC000329808260 159120847 /nfs/dbraw/zinc/12/08/47/159120847.db2.gz BRXZUMNUVZHNOG-JTQLQIEISA-N 0 0 310.441 0.259 10 0 DCAERN O=C(C1CC1)[C@@H]1CN(S(=O)(=O)NC2CCCC2)CCO1 ZINC000329818166 159121515 /nfs/dbraw/zinc/12/15/15/159121515.db2.gz GEBJZVYJYQPKJG-LBPRGKRZSA-N 0 0 302.396 0.443 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2N2C(=O)[C@H]3COCCN3C2=O)cn1 ZINC000330059719 159138832 /nfs/dbraw/zinc/13/88/32/159138832.db2.gz LLVNLIHWVVYPRY-YNEHKIRRSA-N 0 0 320.349 0.396 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C[C@H](CO)O1 ZINC000330106544 159142363 /nfs/dbraw/zinc/14/23/63/159142363.db2.gz LAPBUCLSTSHRHY-REBRKWNGSA-N 0 0 306.362 0.767 10 0 DCAERN COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)on1 ZINC000330187856 159148539 /nfs/dbraw/zinc/14/85/39/159148539.db2.gz KSCJIGCEWPPWTN-BDAKNGLRSA-N 0 0 308.294 0.977 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H]1CCO[C@@H]1C ZINC000330190980 159149136 /nfs/dbraw/zinc/14/91/36/159149136.db2.gz MUOCNUNFGBQOBD-BNOWGMLFSA-N 0 0 318.439 0.874 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@H]1CO ZINC000330202411 159149762 /nfs/dbraw/zinc/14/97/62/159149762.db2.gz ZGKFMLPSTBWSOZ-KGLIPLIRSA-N 0 0 318.439 0.564 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000330232197 159152602 /nfs/dbraw/zinc/15/26/02/159152602.db2.gz XHWJWJKYZDYKRX-KYEXWDHISA-N 0 0 323.393 0.760 10 0 DCAERN CCC[C@H](NS(=O)(=O)C1COC1)c1nnc2ccccn21 ZINC000330227513 159152614 /nfs/dbraw/zinc/15/26/14/159152614.db2.gz UZSVLUPIQGZOQB-NSHDSACASA-N 0 0 310.379 0.889 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CC[C@H]3CCC[C@@H]31)c2=O ZINC000330286711 159156997 /nfs/dbraw/zinc/15/69/97/159156997.db2.gz AVHRVAQIVRTYCN-PWSUYJOCSA-N 0 0 301.350 0.531 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)O1 ZINC000332884643 159216554 /nfs/dbraw/zinc/21/65/54/159216554.db2.gz CPKNSDHNIABBFG-WOPDTQHZSA-N 0 0 321.308 0.740 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000332921360 159217349 /nfs/dbraw/zinc/21/73/49/159217349.db2.gz QQDFSCNTAIFICZ-PWSUYJOCSA-N 0 0 308.407 0.695 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@H](CO)C2CC2)no1 ZINC000360427569 159269292 /nfs/dbraw/zinc/26/92/92/159269292.db2.gz IOXMOBIIVRLEES-MWLCHTKSSA-N 0 0 312.370 0.985 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)O1 ZINC000366895295 159295798 /nfs/dbraw/zinc/29/57/98/159295798.db2.gz KCTLHXMMYIWMJO-ZUWCUPBKSA-N 0 0 310.394 0.561 10 0 DCAERN O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CC[C@H](CO)C1 ZINC000366921858 159297700 /nfs/dbraw/zinc/29/77/00/159297700.db2.gz LECZNZYQYZDKAE-AAEUAGOBSA-N 0 0 312.435 0.919 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000367042277 159307985 /nfs/dbraw/zinc/30/79/85/159307985.db2.gz FYAFVOSYDSLXOC-KGLIPLIRSA-N 0 0 319.471 0.109 10 0 DCAERN COCCOCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367239153 159324358 /nfs/dbraw/zinc/32/43/58/159324358.db2.gz SIRCOCYJMZJZAI-HIFRSBDPSA-N 0 0 315.410 0.723 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NOCC(N)=O)CCC2=O)cc1C ZINC000367399990 159336505 /nfs/dbraw/zinc/33/65/05/159336505.db2.gz BWCRDTHQGKZIAR-GFCCVEGCSA-N 0 0 319.361 0.580 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000367628885 159347418 /nfs/dbraw/zinc/34/74/18/159347418.db2.gz ACUVIABJWROJLP-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000368295243 159385441 /nfs/dbraw/zinc/38/54/41/159385441.db2.gz ZVEXHSJIHGUCOQ-AWEZNQCLSA-N 0 0 318.377 0.012 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H](C)O1 ZINC000347630688 296787398 /nfs/dbraw/zinc/78/73/98/296787398.db2.gz FBLZVQZPLZBMID-RGDJUOJXSA-N 0 0 322.405 0.696 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000370445761 159519584 /nfs/dbraw/zinc/51/95/84/159519584.db2.gz XQMOIXSHTKPGKP-SFDCQRBFSA-N 0 0 320.393 0.623 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371871140 159591587 /nfs/dbraw/zinc/59/15/87/159591587.db2.gz XQLHCFOBKHHBRB-MRXNPFEDSA-N 0 0 302.374 0.975 10 0 DCAERN CCc1ccccc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1 ZINC000372496535 159627564 /nfs/dbraw/zinc/62/75/64/159627564.db2.gz MIXYNIVUBIIMQS-AWEZNQCLSA-N 0 0 310.419 0.954 10 0 DCAERN COc1cc(C)ccc1NC(=O)C(=O)NCc1noc(C)n1 ZINC000175222669 533677471 /nfs/dbraw/zinc/67/74/71/533677471.db2.gz MAQQUGMXRVKGQI-UHFFFAOYSA-N 0 0 304.306 0.950 10 0 DCAERN O=C(CN1CCCCC1=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374793892 159752167 /nfs/dbraw/zinc/75/21/67/159752167.db2.gz MXWYEXKILSRBCL-XJKSGUPXSA-N 0 0 324.421 0.683 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)c1c[nH]cn1)[C@H]2C ZINC000375367020 159787143 /nfs/dbraw/zinc/78/71/43/159787143.db2.gz MCDIHTXRASNGLA-VIFPVBQESA-N 0 0 310.383 0.890 10 0 DCAERN CC[C@@H](CSC)NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408097747 160035215 /nfs/dbraw/zinc/03/52/15/160035215.db2.gz BMIFHCITZWXRQU-VIFPVBQESA-N 0 0 315.482 0.625 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCN(C2CC2)C(=O)C1)N1CCCC1=O ZINC000407954616 159996444 /nfs/dbraw/zinc/99/64/44/159996444.db2.gz GVQIHTKTGAJEFO-HNNXBMFYSA-N 0 0 307.394 0.467 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407962291 159998141 /nfs/dbraw/zinc/99/81/41/159998141.db2.gz ADRZDBCFYAKVBP-LLVKDONJSA-N 0 0 307.394 0.515 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407971540 160000047 /nfs/dbraw/zinc/00/00/47/160000047.db2.gz PPZXLPMIPCXGAW-ZDUSSCGKSA-N 0 0 317.393 0.814 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407976447 160000980 /nfs/dbraw/zinc/00/09/80/160000980.db2.gz ZYECOUCXHCYSBY-UTUOFQBUSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@H](C)S(C)(=O)=O)[nH]1 ZINC000407981586 160002677 /nfs/dbraw/zinc/00/26/77/160002677.db2.gz UXMMNFOCCJJFNH-WCBMZHEXSA-N 0 0 300.384 0.600 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)C1 ZINC000407987421 160003648 /nfs/dbraw/zinc/00/36/48/160003648.db2.gz PTGPXKZTEJODAR-YPMHNXCESA-N 0 0 312.414 0.903 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)C1=O ZINC000407985813 160003888 /nfs/dbraw/zinc/00/38/88/160003888.db2.gz PYEDPKIBLXUSPM-WDEREUQCSA-N 0 0 310.398 0.352 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000407990677 160004713 /nfs/dbraw/zinc/00/47/13/160004713.db2.gz QANVELLLZOMYGE-XQQFMLRXSA-N 0 0 309.410 0.666 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000407990917 160004787 /nfs/dbraw/zinc/00/47/87/160004787.db2.gz RIFKOVATZBCVEU-MNOVXSKESA-N 0 0 306.370 0.341 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993785 160005468 /nfs/dbraw/zinc/00/54/68/160005468.db2.gz UGTNLACXQWLCTG-AGIUHOORSA-N 0 0 311.382 0.243 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)C1 ZINC000407991393 160005564 /nfs/dbraw/zinc/00/55/64/160005564.db2.gz UXRITFUFCFZLAO-TUVASFSCSA-N 0 0 324.421 0.633 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000407994201 160006489 /nfs/dbraw/zinc/00/64/89/160006489.db2.gz AFYLNKBTQUHSET-LLVKDONJSA-N 0 0 315.395 0.777 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000407999767 160007338 /nfs/dbraw/zinc/00/73/38/160007338.db2.gz VPCXWISZPSRPQG-CQSZACIVSA-N 0 0 323.418 0.325 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408019739 160013444 /nfs/dbraw/zinc/01/34/44/160013444.db2.gz ANIXEPFBOCTPQZ-NWDGAFQWSA-N 0 0 313.398 0.300 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408020190 160013720 /nfs/dbraw/zinc/01/37/20/160013720.db2.gz BYLCDWNHHIUHDU-YNEHKIRRSA-N 0 0 311.426 0.469 10 0 DCAERN COCCS(=O)(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000408031678 160016434 /nfs/dbraw/zinc/01/64/34/160016434.db2.gz WXUKFYMSVCOJNP-SCZZXKLOSA-N 0 0 305.356 0.116 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCCCC2)C[C@H]1C(N)=O ZINC000408032603 160017031 /nfs/dbraw/zinc/01/70/31/160017031.db2.gz ZKKMBRNIWDVFSA-ZYHUDNBSSA-N 0 0 303.428 0.549 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000408031457 160017050 /nfs/dbraw/zinc/01/70/50/160017050.db2.gz UOVZLIDBLZICHS-UONOGXRCSA-N 0 0 309.410 0.176 10 0 DCAERN COc1nc(C)cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000408034423 160017529 /nfs/dbraw/zinc/01/75/29/160017529.db2.gz SZADQIMSKJTVOX-NEPJUHHUSA-N 0 0 324.356 0.569 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC000408037736 160019293 /nfs/dbraw/zinc/01/92/93/160019293.db2.gz DPVWBPAXLZZNPM-HZSPNIEDSA-N 0 0 311.426 0.517 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@](C)(O)C2)c(=O)c2ccccc21 ZINC000408050998 160023403 /nfs/dbraw/zinc/02/34/03/160023403.db2.gz GMDVQHGRBQQKQY-MRXNPFEDSA-N 0 0 301.346 0.921 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCOC3(CCCC3)C2)C1 ZINC000408051565 160023818 /nfs/dbraw/zinc/02/38/18/160023818.db2.gz IFHXLTHJDMRICP-MRXNPFEDSA-N 0 0 310.394 0.531 10 0 DCAERN Cc1noc([C@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)n1 ZINC000408053306 160024189 /nfs/dbraw/zinc/02/41/89/160024189.db2.gz OEXYRBOHBGFEQO-JQWIXIFHSA-N 0 0 306.366 0.952 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C(N)=O ZINC000408054875 160024214 /nfs/dbraw/zinc/02/42/14/160024214.db2.gz PEGYXZLLLIDFCF-FRRDWIJNSA-N 0 0 323.437 0.851 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000408056791 160025154 /nfs/dbraw/zinc/02/51/54/160025154.db2.gz LOKDWBAIZRSVDR-MRXNPFEDSA-N 0 0 319.361 0.118 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)nn1C(C)(C)C ZINC000408062753 160026487 /nfs/dbraw/zinc/02/64/87/160026487.db2.gz HOZUUEHSKDJZFX-PWSUYJOCSA-N 0 0 308.382 0.661 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000408064461 160026497 /nfs/dbraw/zinc/02/64/97/160026497.db2.gz VBZVUTXFOWECRU-UBHSHLNASA-N 0 0 310.394 0.386 10 0 DCAERN CCC1(O)CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1 ZINC000408068806 160027507 /nfs/dbraw/zinc/02/75/07/160027507.db2.gz BHZQZGTTWRTDJQ-UHFFFAOYSA-N 0 0 323.393 0.567 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(C)cnn2C)C1 ZINC000408067224 160027553 /nfs/dbraw/zinc/02/75/53/160027553.db2.gz JIXPFVBKBGTIKI-NSHDSACASA-N 0 0 300.384 0.018 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408066221 160027605 /nfs/dbraw/zinc/02/76/05/160027605.db2.gz VYSCOWWFFYEKBR-RDBSUJKOSA-N 0 0 324.425 0.112 10 0 DCAERN CCOC(=O)C1(C(=O)N2CC(=O)N(C)[C@@H](C)C2)CCOCC1 ZINC000408079948 160031020 /nfs/dbraw/zinc/03/10/20/160031020.db2.gz LTMUSTWZKJDMBR-NSHDSACASA-N 0 0 312.366 0.035 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C[C@H]1O ZINC000408090565 160033701 /nfs/dbraw/zinc/03/37/01/160033701.db2.gz RXVSPPRVVPNHRA-QMTHXVAHSA-N 0 0 324.402 0.364 10 0 DCAERN C[C@H]1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc32)C[C@H]1O ZINC000408092597 160034636 /nfs/dbraw/zinc/03/46/36/160034636.db2.gz LJIUNMCREFIWLE-XHDPSFHLSA-N 0 0 315.373 0.705 10 0 DCAERN O=C(C1CCC1)N1CSC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000408097337 160035002 /nfs/dbraw/zinc/03/50/02/160035002.db2.gz KSYAKVDANLSXLS-CYBMUJFWSA-N 0 0 320.418 0.996 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)o1 ZINC000408097126 160035121 /nfs/dbraw/zinc/03/51/21/160035121.db2.gz IXALWXMBESZEIY-JTQLQIEISA-N 0 0 322.408 0.290 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C[C@H]1O ZINC000408096214 160035188 /nfs/dbraw/zinc/03/51/88/160035188.db2.gz XMGHOOKBJXURQE-MEWXFMAXSA-N 0 0 317.389 0.830 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCN(C(C)=O)CC2(C)C)c1 ZINC000408100416 160035917 /nfs/dbraw/zinc/03/59/17/160035917.db2.gz RZHJJPSHKNTWTO-UHFFFAOYSA-N 0 0 314.411 0.534 10 0 DCAERN O=C(CN1c2ccccc2CCCC1=O)N1CCS(=O)CC1 ZINC000408107678 160037159 /nfs/dbraw/zinc/03/71/59/160037159.db2.gz YEUINRKNQQEZCZ-UHFFFAOYSA-N 0 0 320.414 0.947 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C1(C)C ZINC000408106993 160037258 /nfs/dbraw/zinc/03/72/58/160037258.db2.gz MPXLQCNPXWNWMT-DDHJBXDOSA-N 0 0 318.439 0.874 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCOc3cc(O)ccc3C2)C1 ZINC000408107202 160037352 /nfs/dbraw/zinc/03/73/52/160037352.db2.gz OATBNNXTPISWPI-ZDUSSCGKSA-N 0 0 304.346 0.982 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C)C[C@H]2C)C1 ZINC000408111629 160038197 /nfs/dbraw/zinc/03/81/97/160038197.db2.gz DLVQKXHSHIZYNZ-OLZOCXBDSA-N 0 0 317.455 0.211 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCSCC1 ZINC000408112285 160038822 /nfs/dbraw/zinc/03/88/22/160038822.db2.gz LPPSCGBTIQXTMW-UHFFFAOYSA-N 0 0 306.434 0.893 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCN(C)C[C@@H]3C)nc2n1 ZINC000408113781 160039137 /nfs/dbraw/zinc/03/91/37/160039137.db2.gz UQGXIDUHNFWOMT-LBPRGKRZSA-N 0 0 302.382 0.446 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(C)C[C@H]1C ZINC000408114922 160039556 /nfs/dbraw/zinc/03/95/56/160039556.db2.gz ZWPISLATZCTRAA-LLVKDONJSA-N 0 0 304.394 0.868 10 0 DCAERN C[C@H]1CSCCN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000408117719 160040361 /nfs/dbraw/zinc/04/03/61/160040361.db2.gz GWVBFHKAIWAMJG-SECBINFHSA-N 0 0 315.420 0.554 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2CCOC(C)(C)C2)c1 ZINC000408120933 160040850 /nfs/dbraw/zinc/04/08/50/160040850.db2.gz BCYSXMADOLMMNS-UHFFFAOYSA-N 0 0 302.400 0.137 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408129643 160043547 /nfs/dbraw/zinc/04/35/47/160043547.db2.gz QUPJDJDKCMYFIL-GFCCVEGCSA-N 0 0 316.423 0.282 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](C)[C@@H]3CO)nc2n1 ZINC000408142712 160046685 /nfs/dbraw/zinc/04/66/85/160046685.db2.gz XYVJPUPPWZZKQE-SKDRFNHKSA-N 0 0 303.366 0.974 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408145716 160047432 /nfs/dbraw/zinc/04/74/32/160047432.db2.gz UMYXWXBXPQCLHZ-GFCCVEGCSA-N 0 0 324.468 0.472 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1 ZINC000408159338 160049795 /nfs/dbraw/zinc/04/97/95/160049795.db2.gz PIMAQXWYRIREQD-LBPRGKRZSA-N 0 0 319.409 0.104 10 0 DCAERN CN(C)C(=O)CC1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000408163387 160050184 /nfs/dbraw/zinc/05/01/84/160050184.db2.gz DGIOOBULIJFLJT-CYBMUJFWSA-N 0 0 324.425 0.507 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408161799 160050328 /nfs/dbraw/zinc/05/03/28/160050328.db2.gz PVJINGNSZYIYFH-VXGBXAGGSA-N 0 0 303.366 0.040 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408164054 160050507 /nfs/dbraw/zinc/05/05/07/160050507.db2.gz GFGCQZNIAZNGNK-FRRDWIJNSA-N 0 0 309.410 0.808 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000408166271 160051056 /nfs/dbraw/zinc/05/10/56/160051056.db2.gz XNGLZPXARBXDEI-OCCSQVGLSA-N 0 0 318.439 0.732 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O ZINC000408171187 160052849 /nfs/dbraw/zinc/05/28/49/160052849.db2.gz YGNNROOQAOPLHU-KBPBESRZSA-N 0 0 309.410 0.857 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CCc3ccccc32)C1 ZINC000408181955 160054713 /nfs/dbraw/zinc/05/47/13/160054713.db2.gz GVRBDKFNKHJHNA-OCCSQVGLSA-N 0 0 308.403 0.867 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000408186448 160055292 /nfs/dbraw/zinc/05/52/92/160055292.db2.gz HZVUCBBCFSASBN-MNOVXSKESA-N 0 0 302.396 0.238 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCC(C)(O)CC1 ZINC000408185882 160055409 /nfs/dbraw/zinc/05/54/09/160055409.db2.gz NOVVNAFRJBTYLJ-UHFFFAOYSA-N 0 0 304.350 0.964 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408187903 160055763 /nfs/dbraw/zinc/05/57/63/160055763.db2.gz QOODNGXRHNHZLN-WCQYABFASA-N 0 0 304.412 0.031 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@H]2CC(=O)N[C@H](CC)C2)CC1 ZINC000408198474 160057317 /nfs/dbraw/zinc/05/73/17/160057317.db2.gz SMXVLWRDIJQSRP-VXGBXAGGSA-N 0 0 310.398 0.165 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)C1CCCC1 ZINC000408198480 160058732 /nfs/dbraw/zinc/05/87/32/160058732.db2.gz SNSRPJPRTRULLB-GXFFZTMASA-N 0 0 316.423 0.327 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cncc(F)c2)CCS1(=O)=O ZINC000408204044 160059001 /nfs/dbraw/zinc/05/90/01/160059001.db2.gz SROZGSKOUBOYEA-QMMMGPOBSA-N 0 0 308.356 0.028 10 0 DCAERN CCN(C)S(=O)(=O)N1CCCC[C@@H]1c1nc(COC)n[nH]1 ZINC000408203932 160059228 /nfs/dbraw/zinc/05/92/28/160059228.db2.gz FRKLXJMUWGCRCS-SNVBAGLBSA-N 0 0 317.415 0.675 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)CC(=O)N1 ZINC000408203168 160059329 /nfs/dbraw/zinc/05/93/29/160059329.db2.gz PIJVREAOZYJOSI-RYUDHWBXSA-N 0 0 324.425 0.506 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000408205871 160060372 /nfs/dbraw/zinc/06/03/72/160060372.db2.gz LUDHQWLXCSJYLA-OLZOCXBDSA-N 0 0 310.398 0.165 10 0 DCAERN O=C(CN1CCN(C(=O)C2=CCCCC2)CC1)N1CCOCC1 ZINC000408208609 160060671 /nfs/dbraw/zinc/06/06/71/160060671.db2.gz OIKIKYDQLCERIT-UHFFFAOYSA-N 0 0 321.421 0.490 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(C)nc(C)n1 ZINC000408208212 160060960 /nfs/dbraw/zinc/06/09/60/160060960.db2.gz ZISIXCZUBRUZAK-LLVKDONJSA-N 0 0 312.395 0.247 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408215402 160061605 /nfs/dbraw/zinc/06/16/05/160061605.db2.gz PSQACFNQGDFGLV-SNVBAGLBSA-N 0 0 313.379 0.754 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[S@@](=O)[C@H](C)C1 ZINC000408212188 160061684 /nfs/dbraw/zinc/06/16/84/160061684.db2.gz UYVFJBQSUQANTD-ODXZIHIVSA-N 0 0 303.428 0.452 10 0 DCAERN C[C@H]1CCCN(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)C1 ZINC000408215837 160061843 /nfs/dbraw/zinc/06/18/43/160061843.db2.gz ANXUIJGQRMBPAX-QWHCGFSZSA-N 0 0 302.440 0.611 10 0 DCAERN Cc1cn2nc(N(C)C[C@H]3CCS(=O)(=O)C3)sc2n1 ZINC000408218462 160062342 /nfs/dbraw/zinc/06/23/42/160062342.db2.gz IMOVTRPWJJTVLN-SECBINFHSA-N 0 0 300.409 0.970 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000408224910 160064022 /nfs/dbraw/zinc/06/40/22/160064022.db2.gz XXFSDOGQPDNWQR-OLZOCXBDSA-N 0 0 302.440 0.754 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000408231288 160064678 /nfs/dbraw/zinc/06/46/78/160064678.db2.gz HBHAIYBDNCGGIS-ZDUSSCGKSA-N 0 0 314.411 0.233 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2CC[C@H](C)[C@H](O)C2)CCC1 ZINC000408234742 160065402 /nfs/dbraw/zinc/06/54/02/160065402.db2.gz HCKKIQFWGCIJQS-WDEREUQCSA-N 0 0 305.396 0.362 10 0 DCAERN Cc1ocnc1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408240512 160067024 /nfs/dbraw/zinc/06/70/24/160067024.db2.gz DEOWYUBNCOOCOL-UWVGGRQHSA-N 0 0 301.368 0.573 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n(C)n1 ZINC000408240932 160067046 /nfs/dbraw/zinc/06/70/46/160067046.db2.gz GPYVIXKOYALBAF-MNOVXSKESA-N 0 0 314.411 0.319 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)no1 ZINC000408241793 160067577 /nfs/dbraw/zinc/06/75/77/160067577.db2.gz MIOLIPCZQPWRHH-VHSXEESVSA-N 0 0 301.368 0.573 10 0 DCAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000408242321 160067683 /nfs/dbraw/zinc/06/76/83/160067683.db2.gz SHSJGAMPSNYJII-MNOVXSKESA-N 0 0 305.382 0.557 10 0 DCAERN COCc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)no1 ZINC000408248302 160069143 /nfs/dbraw/zinc/06/91/43/160069143.db2.gz AMCOEWHBQMQJLX-UHFFFAOYSA-N 0 0 302.352 0.470 10 0 DCAERN O=C(CC1CCCC1)NCC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248013 160069515 /nfs/dbraw/zinc/06/95/15/160069515.db2.gz RHNAENAVPOXLDM-QGZVFWFLSA-N 0 0 321.421 0.812 10 0 DCAERN C[S@](=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000408258775 160071227 /nfs/dbraw/zinc/07/12/27/160071227.db2.gz BAMNFTOXYFDWFK-SAHAZLINSA-N 0 0 322.390 0.665 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)N2C[C@H](O)C(C)(C)C2)CC1 ZINC000408267047 160072912 /nfs/dbraw/zinc/07/29/12/160072912.db2.gz WMLNUNRXINYRJY-AWEZNQCLSA-N 0 0 320.437 0.861 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000408274285 160073669 /nfs/dbraw/zinc/07/36/69/160073669.db2.gz KBVDJTFJRJPDFK-CZXHOFHRSA-N 0 0 307.394 0.276 10 0 DCAERN Cn1cc(C[C@H](O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000408275285 160074368 /nfs/dbraw/zinc/07/43/68/160074368.db2.gz XENOJRUEQRARMJ-DZKIICNBSA-N 0 0 307.394 0.477 10 0 DCAERN Cc1nnsc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000408281428 160075769 /nfs/dbraw/zinc/07/57/69/160075769.db2.gz OMVLPBITLYNCNI-JTQLQIEISA-N 0 0 306.395 0.709 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](OC)C2)CC1 ZINC000408290023 160077634 /nfs/dbraw/zinc/07/76/34/160077634.db2.gz HFRCFZVNFLYUQI-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305209 160080851 /nfs/dbraw/zinc/08/08/51/160080851.db2.gz IABQVSWWYCQKFR-PSASIEDQSA-N 0 0 315.313 0.337 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@](C)(O)C(C)C)CCO2)n1 ZINC000408304377 160080902 /nfs/dbraw/zinc/08/09/02/160080902.db2.gz YFGVSVXVRAGABC-ZFWWWQNUSA-N 0 0 310.398 0.529 10 0 DCAERN Cn1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1=O ZINC000408306679 160081649 /nfs/dbraw/zinc/08/16/49/160081649.db2.gz QUQKZQXHHNXIPQ-LBPRGKRZSA-N 0 0 304.268 0.915 10 0 DCAERN CCOC(=O)C1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000408307551 160081810 /nfs/dbraw/zinc/08/18/10/160081810.db2.gz FCABDYNYWPPLHC-BIBXISHDSA-N 0 0 302.396 0.492 10 0 DCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000408334427 160087058 /nfs/dbraw/zinc/08/70/58/160087058.db2.gz AALMKRNUTYGAER-VHSXEESVSA-N 0 0 308.400 0.008 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2CCOCC2)C1=O ZINC000408337347 160087612 /nfs/dbraw/zinc/08/76/12/160087612.db2.gz CBSWIEDCNWSMOE-LBPRGKRZSA-N 0 0 306.366 0.458 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408343138 160088117 /nfs/dbraw/zinc/08/81/17/160088117.db2.gz NNIPZVFWTRBAEO-XFQCAGDASA-N 0 0 318.464 0.666 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCn4cnnc4[C@@H]3C)cnc12 ZINC000408343196 160088229 /nfs/dbraw/zinc/08/82/29/160088229.db2.gz NYEWKKMZWZGUQU-NSHDSACASA-N 0 0 324.344 0.811 10 0 DCAERN NC(=O)CC1CN(S(=O)(=O)N2CCc3ccccc3C2)C1 ZINC000408340535 160088244 /nfs/dbraw/zinc/08/82/44/160088244.db2.gz VXXBWMMBTTWHDK-UHFFFAOYSA-N 0 0 309.391 0.097 10 0 DCAERN C[C@@H](CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1)[S@@](C)=O ZINC000408345475 160088976 /nfs/dbraw/zinc/08/89/76/160088976.db2.gz BGOUTHMAXFTICK-APBUJDDRSA-N 0 0 324.468 0.362 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@H]1CCN(C(C)=O)C1)CC2 ZINC000408354604 160090892 /nfs/dbraw/zinc/09/08/92/160090892.db2.gz LWHNOFHFYOSRFS-QWHCGFSZSA-N 0 0 308.378 0.657 10 0 DCAERN CC[C@H]1CC[C@@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000408368537 160093897 /nfs/dbraw/zinc/09/38/97/160093897.db2.gz JSYLLBNFRKMSNS-QQFIATSDSA-N 0 0 311.382 0.814 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC[C@H]1O ZINC000408374865 160094521 /nfs/dbraw/zinc/09/45/21/160094521.db2.gz IYQXCITZKTVCEF-GZMMTYOYSA-N 0 0 316.354 0.316 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCNC2=O)C1 ZINC000408378042 160095204 /nfs/dbraw/zinc/09/52/04/160095204.db2.gz BHWBODJRNZDWIC-VNIFTMRMSA-N 0 0 315.439 0.644 10 0 DCAERN CS(=O)(=O)c1ccc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1 ZINC000408380012 160095917 /nfs/dbraw/zinc/09/59/17/160095917.db2.gz SASLXAKYMHSSIX-NEPJUHHUSA-N 0 0 309.391 0.733 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000408385573 160096585 /nfs/dbraw/zinc/09/65/85/160096585.db2.gz LDRDFECMAPZAJO-SNVBAGLBSA-N 0 0 318.399 0.592 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000408393943 160098910 /nfs/dbraw/zinc/09/89/10/160098910.db2.gz LLEGITZBSRWXBX-LLVKDONJSA-N 0 0 300.384 0.023 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000408392135 160099242 /nfs/dbraw/zinc/09/92/42/160099242.db2.gz FYBJUULDRWYSNX-ZDUSSCGKSA-N 0 0 315.377 0.958 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NC2CC(C)C2)C1 ZINC000408392704 160099304 /nfs/dbraw/zinc/09/93/04/160099304.db2.gz JDYHMDVFQLYPNH-HTAVTVPLSA-N 0 0 303.428 0.897 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000408406513 160102210 /nfs/dbraw/zinc/10/22/10/160102210.db2.gz UKMHUAYDOMPJEP-NSHDSACASA-N 0 0 314.411 0.250 10 0 DCAERN C[C@@H]1CCN(c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccn2)C1 ZINC000408417103 160103366 /nfs/dbraw/zinc/10/33/66/160103366.db2.gz XODRDVWYKGXEFU-YPMHNXCESA-N 0 0 323.418 0.845 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000408419408 160104314 /nfs/dbraw/zinc/10/43/14/160104314.db2.gz KBIBFBNEEFABIX-BXKDBHETSA-N 0 0 320.324 0.667 10 0 DCAERN C[C@@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)[C@@H]1CO ZINC000408424814 160105351 /nfs/dbraw/zinc/10/53/51/160105351.db2.gz DGASLIDGAHFDJY-ZWNOBZJWSA-N 0 0 301.346 0.776 10 0 DCAERN Cc1nnc([C@H](C)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)o1 ZINC000408425223 160105421 /nfs/dbraw/zinc/10/54/21/160105421.db2.gz JNIXXXUUIDSNEK-GXSJLCMTSA-N 0 0 302.400 0.841 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)CC2CC(O)C2)C1 ZINC000408428050 160105868 /nfs/dbraw/zinc/10/58/68/160105868.db2.gz SNHMOCPTRBDROK-CPCZMJQVSA-N 0 0 318.439 0.277 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(CCO)CC2)sc1C ZINC000408430990 160106671 /nfs/dbraw/zinc/10/66/71/160106671.db2.gz AXCVCLSCFJVFAC-UHFFFAOYSA-N 0 0 305.425 0.059 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C ZINC000408431958 160106945 /nfs/dbraw/zinc/10/69/45/160106945.db2.gz CODJCXZUSQTGAU-GHMZBOCLSA-N 0 0 317.386 0.296 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCN(C)C[C@H]2C)c(F)c1 ZINC000408435654 160107772 /nfs/dbraw/zinc/10/77/72/160107772.db2.gz YRDZGSPMYMJCPA-SNVBAGLBSA-N 0 0 301.387 0.874 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000408452501 160111077 /nfs/dbraw/zinc/11/10/77/160111077.db2.gz PWSRPTJYCPBCOZ-HBNTYKKESA-N 0 0 303.380 0.412 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408453467 160111953 /nfs/dbraw/zinc/11/19/53/160111953.db2.gz RVDDPYWQEBPRFC-MRXNPFEDSA-N 0 0 317.345 0.703 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1=O ZINC000408459238 160112572 /nfs/dbraw/zinc/11/25/72/160112572.db2.gz HXTHDWRBQHRQMI-NEPJUHHUSA-N 0 0 304.412 0.438 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000408460714 160113548 /nfs/dbraw/zinc/11/35/48/160113548.db2.gz QOMPORMKAMTZHF-STQMWFEESA-N 0 0 313.423 0.466 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1 ZINC000408472157 160115429 /nfs/dbraw/zinc/11/54/29/160115429.db2.gz UJORYIRCFVSQJF-GUBZILKMSA-N 0 0 324.299 0.005 10 0 DCAERN CCCCn1c(N)c(N(C)C(=O)CCSC)c(=O)[nH]c1=O ZINC000070755267 286910051 /nfs/dbraw/zinc/91/00/51/286910051.db2.gz UPRITCYWPBGUDZ-UHFFFAOYSA-N 0 0 314.411 0.635 10 0 DCAERN O=C(NCc1csc(-c2ccccc2)n1)NC(CO)CO ZINC000074267658 286915795 /nfs/dbraw/zinc/91/57/95/286915795.db2.gz CGXFYFNYLHOPLW-UHFFFAOYSA-N 0 0 307.375 0.963 10 0 DCAERN O=C(CCc1nc(-c2ccncc2)no1)N1CCNC(=O)C1 ZINC000073552448 286913443 /nfs/dbraw/zinc/91/34/43/286913443.db2.gz IXNOTLIMAYPVHD-UHFFFAOYSA-N 0 0 301.306 0.023 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000407989332 286939466 /nfs/dbraw/zinc/93/94/66/286939466.db2.gz JFOWGYDMTPCCEP-ZIAGYGMSSA-N 0 0 311.426 0.160 10 0 DCAERN CCNC(=O)C(C)(C)CNS(=O)(=O)N1CCC[C@H](C)C1 ZINC000120470288 286952078 /nfs/dbraw/zinc/95/20/78/286952078.db2.gz IIACTJYRZYEHHN-NSHDSACASA-N 0 0 305.444 0.715 10 0 DCAERN COCCc1cc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)n(C)n1 ZINC000127842098 286979832 /nfs/dbraw/zinc/97/98/32/286979832.db2.gz WUYUUPFCUKKCCX-GHMZBOCLSA-N 0 0 323.397 0.775 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCCN(C)CC(F)(F)F ZINC000135519210 287022757 /nfs/dbraw/zinc/02/27/57/287022757.db2.gz NMQAENBMMIMVOQ-UWVGGRQHSA-N 0 0 318.361 0.967 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000135555212 287023304 /nfs/dbraw/zinc/02/33/04/287023304.db2.gz ZRTCGJGGZCQZCS-JHJVBQTASA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(F)cc2[nH]c(C(=O)NCCC(=O)NC(N)=O)cc21 ZINC000137089408 287027972 /nfs/dbraw/zinc/02/79/72/287027972.db2.gz GFEDRXMLANWMPU-UHFFFAOYSA-N 0 0 306.297 0.930 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000151160380 287032485 /nfs/dbraw/zinc/03/24/85/287032485.db2.gz BCPHHJXIRBPUPG-GFCCVEGCSA-N 0 0 323.397 0.069 10 0 DCAERN CCCOc1cccc(CC(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000153429214 287050240 /nfs/dbraw/zinc/05/02/40/287050240.db2.gz PYTQNOSNTRTMAJ-ZDUSSCGKSA-N 0 0 304.346 0.939 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H]2C2CC2)CCS(=O)(=O)C1 ZINC000333207594 296853907 /nfs/dbraw/zinc/85/39/07/296853907.db2.gz CBQVHNWECSGNES-WXHSDQCUSA-N 0 0 316.423 0.630 10 0 DCAERN CN(C)c1nnc(SC[C@@H](O)CN2CCOCC2)s1 ZINC000181150498 287056229 /nfs/dbraw/zinc/05/62/29/287056229.db2.gz LDMHARQJNALGAS-VIFPVBQESA-N 0 0 304.441 0.389 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246064962 287075995 /nfs/dbraw/zinc/07/59/95/287075995.db2.gz BWCSXMPCVGZWPA-WDEREUQCSA-N 0 0 313.379 0.723 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000246080645 287076222 /nfs/dbraw/zinc/07/62/22/287076222.db2.gz GRKDJLXGOGAGRV-GRYCIOLGSA-N 0 0 308.444 0.679 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1C[C@H](C)O ZINC000246247522 287079954 /nfs/dbraw/zinc/07/99/54/287079954.db2.gz UXVPXXGLTCJILZ-RYUDHWBXSA-N 0 0 324.381 0.225 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CCN1C[C@H](C)O ZINC000246162934 287077915 /nfs/dbraw/zinc/07/79/15/287077915.db2.gz LZMATWSQUTXMFL-MELADBBJSA-N 0 0 320.455 0.130 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246194990 287078784 /nfs/dbraw/zinc/07/87/84/287078784.db2.gz OIBHAGGGXTVTTC-UWVGGRQHSA-N 0 0 317.329 0.884 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)N2C[C@H](C)OC[C@H]2C)c1 ZINC000246200423 287078835 /nfs/dbraw/zinc/07/88/35/287078835.db2.gz OSIRNIXECOERGY-NEPJUHHUSA-N 0 0 302.400 0.135 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246593744 287085997 /nfs/dbraw/zinc/08/59/97/287085997.db2.gz GVKHBFUVVARSAA-CYDGBPFRSA-N 0 0 306.428 0.576 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000246717817 287086891 /nfs/dbraw/zinc/08/68/91/287086891.db2.gz LEKFOSHYSBPLGA-GUTXKFCHSA-N 0 0 311.426 0.158 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000247424939 287093770 /nfs/dbraw/zinc/09/37/70/287093770.db2.gz KPJMGTVQDOPEEM-RYUDHWBXSA-N 0 0 306.428 0.747 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246984313 287089940 /nfs/dbraw/zinc/08/99/40/287089940.db2.gz FQTDGDJIAPPBOP-UONOGXRCSA-N 0 0 320.455 0.538 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000247222085 287092153 /nfs/dbraw/zinc/09/21/53/287092153.db2.gz WYTYIVYHQGUEQT-PSASIEDQSA-N 0 0 322.408 0.488 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408433144 287096229 /nfs/dbraw/zinc/09/62/29/287096229.db2.gz KSBGUAZYKAPADZ-ZIAGYGMSSA-N 0 0 319.471 0.350 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000248687657 287099932 /nfs/dbraw/zinc/09/99/32/287099932.db2.gz VZPZAUQKAFSZOE-BYNQJWBRSA-N 0 0 308.378 0.845 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)C1 ZINC000248740113 287100766 /nfs/dbraw/zinc/10/07/66/287100766.db2.gz DDPIMHFHPZFQLA-NEBZKDRISA-N 0 0 311.426 0.347 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)C[C@H]2CCOC2)CC[S@@]1=O ZINC000249014752 287105326 /nfs/dbraw/zinc/10/53/26/287105326.db2.gz PIVAYOIHMNKTSQ-BUXKBTBVSA-N 0 0 323.480 0.976 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249582492 287115001 /nfs/dbraw/zinc/11/50/01/287115001.db2.gz RRMCQKPILMMHJE-OCCSQVGLSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249520992 287112657 /nfs/dbraw/zinc/11/26/57/287112657.db2.gz VFIMQYRLWNRPIJ-KBPBESRZSA-N 0 0 322.405 0.471 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC000249856727 287118434 /nfs/dbraw/zinc/11/84/34/287118434.db2.gz QGZVXBZUNWWSGZ-MROQNXINSA-N 0 0 306.428 0.697 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC(C)(C)O2)C[C@H](C)O1 ZINC000253149589 287120947 /nfs/dbraw/zinc/12/09/47/287120947.db2.gz DODZFFRHIWKXMB-GRYCIOLGSA-N 0 0 306.428 0.888 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C/C=C\c1cccc(F)c1 ZINC000255262962 287124008 /nfs/dbraw/zinc/12/40/08/287124008.db2.gz IARBSFWJWSZYFQ-HYXAFXHYSA-N 0 0 300.355 0.894 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000355996205 287191485 /nfs/dbraw/zinc/19/14/85/287191485.db2.gz XHXDWHQMNCIFCX-ZKYQVNSYSA-N 0 0 304.346 0.782 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)OC)n1 ZINC000521375237 412408028 /nfs/dbraw/zinc/40/80/28/412408028.db2.gz MTRPRDZHGZQMDB-GMTAPVOTSA-N 0 0 312.370 0.569 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccnn1 ZINC000488949075 412428671 /nfs/dbraw/zinc/42/86/71/412428671.db2.gz QOCAIWLIRRZNFD-RKDXNWHRSA-N 0 0 309.326 0.054 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)CC(=O)N1 ZINC000408200371 287263292 /nfs/dbraw/zinc/26/32/92/287263292.db2.gz ABXIVBDUSNDBLG-JHJVBQTASA-N 0 0 305.382 0.746 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NCCCN3CCCC3=O)nc2n1 ZINC000025705259 415164714 /nfs/dbraw/zinc/16/47/14/415164714.db2.gz GWWYXXJTZPDBEV-UHFFFAOYSA-N 0 0 316.365 0.483 10 0 DCAERN O=C(N[C@H]1CCc2ccccc2C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000268152054 415164972 /nfs/dbraw/zinc/16/49/72/415164972.db2.gz WZUGCEXXPPGFEY-GJZGRUSLSA-N 0 0 314.389 0.963 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccsc1 ZINC000046242700 415258797 /nfs/dbraw/zinc/25/87/97/415258797.db2.gz YVTWCNCWZURSBG-LLVKDONJSA-N 0 0 302.421 0.831 10 0 DCAERN CNC(=O)c1ccc(N2CCN(CC(F)(F)F)[C@@H](C)C2)nn1 ZINC000270617879 415259346 /nfs/dbraw/zinc/25/93/46/415259346.db2.gz BMTCTWQHSNXOBT-VIFPVBQESA-N 0 0 317.315 0.909 10 0 DCAERN CN(Cc1cccnc1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000047427358 415271988 /nfs/dbraw/zinc/27/19/88/415271988.db2.gz UYWXBVLKAZSPFY-UHFFFAOYSA-N 0 0 324.340 0.743 10 0 DCAERN CCOc1ccc(OC[C@@H](O)CN2CCNC(=O)CC2)cc1 ZINC000065954542 415355027 /nfs/dbraw/zinc/35/50/27/415355027.db2.gz PJHWGBMWDLJZSU-ZDUSSCGKSA-N 0 0 308.378 0.647 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccc(F)c(Br)c1 ZINC000049355919 415303909 /nfs/dbraw/zinc/30/39/09/415303909.db2.gz KWRGTEPPIGALRU-UHFFFAOYSA-N 0 0 318.146 0.915 10 0 DCAERN CCCCN(CC(N)=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052704495 415317231 /nfs/dbraw/zinc/31/72/31/415317231.db2.gz NMIFUYBPFLFFEP-KBPBESRZSA-N 0 0 311.426 0.744 10 0 DCAERN C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCCO3)ccn2)CC1 ZINC000068367759 415393800 /nfs/dbraw/zinc/39/38/00/415393800.db2.gz DLMRUOSMEIXKIS-AWEZNQCLSA-N 0 0 304.394 0.742 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000066880694 415367740 /nfs/dbraw/zinc/36/77/40/415367740.db2.gz AXYODGFLZJGWEA-UHFFFAOYSA-N 0 0 319.471 0.647 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1COCCO1 ZINC000067201442 415375543 /nfs/dbraw/zinc/37/55/43/415375543.db2.gz HJHFXXXHVKHPHM-UONOGXRCSA-N 0 0 306.362 0.218 10 0 DCAERN CC(=O)NC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000067436512 415375731 /nfs/dbraw/zinc/37/57/31/415375731.db2.gz USQSVFQYWBBWPU-GXTWGEPZSA-N 0 0 317.455 0.811 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000275445352 415376484 /nfs/dbraw/zinc/37/64/84/415376484.db2.gz WBVBMZRIXWMYAU-KBPBESRZSA-N 0 0 321.425 0.465 10 0 DCAERN CCC(=O)N(C)[C@H](C)C1=CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000067677655 415377792 /nfs/dbraw/zinc/37/77/92/415377792.db2.gz ONEGNPXKLWYZKX-LLVKDONJSA-N 0 0 320.393 0.452 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332711551 415452006 /nfs/dbraw/zinc/45/20/06/415452006.db2.gz DQNBILAVRYKWSU-STQMWFEESA-N 0 0 306.410 0.677 10 0 DCAERN CN(C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CCNC1=O ZINC000332756890 415467511 /nfs/dbraw/zinc/46/75/11/415467511.db2.gz RYOSEURGXGTAHV-UMSGYPCISA-N 0 0 307.394 0.864 10 0 DCAERN CC(=O)N1CCc2ccc(S(=O)(=O)NCC[C@@H](C)O)cc21 ZINC000086013744 415504711 /nfs/dbraw/zinc/50/47/11/415504711.db2.gz PFVINEIKTOEELR-SNVBAGLBSA-N 0 0 312.391 0.645 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000089160517 415517938 /nfs/dbraw/zinc/51/79/38/415517938.db2.gz VGXHFWKSBLKKKP-QWHCGFSZSA-N 0 0 318.439 0.325 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000091414266 415534846 /nfs/dbraw/zinc/53/48/46/415534846.db2.gz XHBKHSZOMFUYTR-UHFFFAOYSA-N 0 0 311.288 0.498 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)CC[C@H]3CCOC3)CCO2)n1 ZINC000333048243 415542592 /nfs/dbraw/zinc/54/25/92/415542592.db2.gz PUIKHDBHYNMWIX-LSDHHAIUSA-N 0 0 322.409 0.939 10 0 DCAERN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)[C@@H]1CCNC(=O)C1 ZINC000333062437 415544900 /nfs/dbraw/zinc/54/49/00/415544900.db2.gz NIGPJXQYPQIOLY-UPJWGTAASA-N 0 0 307.394 0.420 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CO[C@H](C)C3)CCO2)n1 ZINC000333080612 415547637 /nfs/dbraw/zinc/54/76/37/415547637.db2.gz QKCSERKAWQOPBN-HONMWMINSA-N 0 0 308.382 0.547 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CO[C@@H](C)C3)CCO2)n1 ZINC000333080610 415550387 /nfs/dbraw/zinc/55/03/87/415550387.db2.gz QKCSERKAWQOPBN-GDLCADMTSA-N 0 0 308.382 0.547 10 0 DCAERN CN1C(=O)CC[C@H](N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)C1=O ZINC000333284090 415602012 /nfs/dbraw/zinc/60/20/12/415602012.db2.gz MZWKYCWJPROZGD-RHYQMDGZSA-N 0 0 319.361 0.729 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294332 415603470 /nfs/dbraw/zinc/60/34/70/415603470.db2.gz KZVDJLWIZNRDTL-HUUCEWRRSA-N 0 0 323.437 0.614 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc2c([nH]1)CCCC2 ZINC000333350539 415618243 /nfs/dbraw/zinc/61/82/43/415618243.db2.gz VRWCOZZACVWMIS-LLVKDONJSA-N 0 0 311.407 0.787 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)C[C@@H]21 ZINC000286885529 415642253 /nfs/dbraw/zinc/64/22/53/415642253.db2.gz DOMXTVLXWQOFQL-GXTWGEPZSA-N 0 0 317.345 0.666 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[C@@H](C)C1 ZINC000333161819 415576808 /nfs/dbraw/zinc/57/68/08/415576808.db2.gz MAHBZSKTLCJBRX-RMEBNNNOSA-N 0 0 316.467 0.892 10 0 DCAERN C[C@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)CC(=O)N1C ZINC000282331919 415577772 /nfs/dbraw/zinc/57/77/72/415577772.db2.gz KLEZAQSLDZLBPK-VIFPVBQESA-N 0 0 300.318 0.226 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC(=O)N1C ZINC000282515669 415578137 /nfs/dbraw/zinc/57/81/37/415578137.db2.gz YJVSSKTXHISQOC-ZIBATOQPSA-N 0 0 304.346 0.904 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3c(c2)OCO3)CC(=O)N1C ZINC000282808653 415583940 /nfs/dbraw/zinc/58/39/40/415583940.db2.gz KRTBLEWJCJXJSA-JTQLQIEISA-N 0 0 305.334 0.787 10 0 DCAERN C[C@H]1CN(c2ccc(C(=O)NC3CCCC3)nn2)CC(=O)N1C ZINC000283515188 415589908 /nfs/dbraw/zinc/58/99/08/415589908.db2.gz MSJJPIMHHJJLDW-NSHDSACASA-N 0 0 317.393 0.816 10 0 DCAERN Cc1cc(CC(=O)NCC(C)(C)N2CCS(=O)CC2)n[nH]1 ZINC000333499880 415666300 /nfs/dbraw/zinc/66/63/00/415666300.db2.gz CODFAPZFNLKVJK-UHFFFAOYSA-N 0 0 312.439 0.220 10 0 DCAERN O=C(CN1CCCS1(=O)=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110455427 415687536 /nfs/dbraw/zinc/68/75/36/415687536.db2.gz IDNRSPVACGXSIN-ZIAGYGMSSA-N 0 0 308.403 0.942 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1cccnc1N(C)C ZINC000114927103 415725556 /nfs/dbraw/zinc/72/55/56/415725556.db2.gz CWWREMUYTGSGBR-CYBMUJFWSA-N 0 0 319.409 0.814 10 0 DCAERN c1cc(NCCCOC2CCOCC2)nc(N2CCOCC2)n1 ZINC000353961143 415705633 /nfs/dbraw/zinc/70/56/33/415705633.db2.gz MYCFLTYJJYGVGL-UHFFFAOYSA-N 0 0 322.409 1.311 10 0 DCAERN O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCc2ncnn2C1 ZINC000112661126 415711319 /nfs/dbraw/zinc/71/13/19/415711319.db2.gz PQAORXQTNSLOEI-LLVKDONJSA-N 0 0 324.344 0.119 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112657444 415712315 /nfs/dbraw/zinc/71/23/15/415712315.db2.gz DBWKFEOTLDXWJI-NEPJUHHUSA-N 0 0 305.382 0.500 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1COc2ccccc2O1 ZINC000112659212 415712567 /nfs/dbraw/zinc/71/25/67/415712567.db2.gz GYKFEIFTRDMIHT-GWCFXTLKSA-N 0 0 300.318 0.549 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333906309 415761686 /nfs/dbraw/zinc/76/16/86/415761686.db2.gz JYGBEYFUFOVYMM-MELADBBJSA-N 0 0 303.424 0.978 10 0 DCAERN O=S(=O)([C@@H]1CCOC1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333906307 415762209 /nfs/dbraw/zinc/76/22/09/415762209.db2.gz JYGBEYFUFOVYMM-HZSPNIEDSA-N 0 0 303.424 0.978 10 0 DCAERN CO[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000120407576 415766819 /nfs/dbraw/zinc/76/68/19/415766819.db2.gz FUGWNUZXQQTGFS-HUUCEWRRSA-N 0 0 308.378 0.183 10 0 DCAERN CO[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000120407281 415767661 /nfs/dbraw/zinc/76/76/61/415767661.db2.gz FUGWNUZXQQTGFS-LSDHHAIUSA-N 0 0 308.378 0.183 10 0 DCAERN CN(CCCNC(=O)c1cc(C(N)=O)cn1C)CC(F)(F)F ZINC000120502590 415769170 /nfs/dbraw/zinc/76/91/70/415769170.db2.gz URSLXQCGRRUCTO-UHFFFAOYSA-N 0 0 320.315 0.738 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCOC1 ZINC000119957086 415755516 /nfs/dbraw/zinc/75/55/16/415755516.db2.gz CKFUNXODFDXQDU-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCc3cnn(C)c3)no2)c1 ZINC000122286925 415829599 /nfs/dbraw/zinc/82/95/99/415829599.db2.gz CRCQXJIMOZCFMS-UHFFFAOYSA-N 0 0 300.322 0.891 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@H]1C(=O)NC(C)(C)c1c(C)noc1C ZINC000344064815 415831853 /nfs/dbraw/zinc/83/18/53/415831853.db2.gz QXXFKAKMQHQCNL-RYUDHWBXSA-N 0 0 309.366 0.624 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000124361287 415849697 /nfs/dbraw/zinc/84/96/97/415849697.db2.gz KJPSHCMUUBRMDE-KWCYVHTRSA-N 0 0 321.421 0.747 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000120631362 415779290 /nfs/dbraw/zinc/77/92/90/415779290.db2.gz AEGZOIBDGFBCBA-CYBMUJFWSA-N 0 0 312.391 0.268 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000120741487 415783652 /nfs/dbraw/zinc/78/36/52/415783652.db2.gz DXVDRIBCOOMNIB-CYBMUJFWSA-N 0 0 308.382 0.287 10 0 DCAERN CN(C(=O)C1=COCCO1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122281423 415828750 /nfs/dbraw/zinc/82/87/50/415828750.db2.gz PIKGBHCYGGKNGI-LBPRGKRZSA-N 0 0 304.350 0.792 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCN1CC(F)F ZINC000125778765 415870135 /nfs/dbraw/zinc/87/01/35/415870135.db2.gz MYZOMHHFGUEDBK-MNOVXSKESA-N 0 0 303.353 0.701 10 0 DCAERN CC1(C)SC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000294766210 415876395 /nfs/dbraw/zinc/87/63/95/415876395.db2.gz SMMCFBIKMJZWKW-NSHDSACASA-N 0 0 319.386 0.992 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)OC[C@@H]2C)cccc1S(N)(=O)=O ZINC000129447864 415907144 /nfs/dbraw/zinc/90/71/44/415907144.db2.gz MFWRNKDZLJULJG-VHSXEESVSA-N 0 0 312.391 0.892 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000130883831 415924920 /nfs/dbraw/zinc/92/49/20/415924920.db2.gz KSJAESXQOAYXIF-GHMZBOCLSA-N 0 0 317.345 0.326 10 0 DCAERN CC[C@@H]1CCCCCN1C(=O)CN1CCN(CC)C(=O)C1=O ZINC000125382715 415865727 /nfs/dbraw/zinc/86/57/27/415865727.db2.gz KRMHIZMIGPGBCP-CYBMUJFWSA-N 0 0 309.410 0.858 10 0 DCAERN CCNC(=O)CN(CC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000133111531 415941201 /nfs/dbraw/zinc/94/12/01/415941201.db2.gz MROUNQIDKOQAHL-NSHDSACASA-N 0 0 322.413 0.843 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337303248 415941813 /nfs/dbraw/zinc/94/18/13/415941813.db2.gz QJZNCNUYMKZYEC-MGPQQGTHSA-N 0 0 310.394 0.387 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C2)cn1 ZINC000152944409 415972700 /nfs/dbraw/zinc/97/27/00/415972700.db2.gz CRKFFNGAYBYZDQ-NSHDSACASA-N 0 0 313.423 0.949 10 0 DCAERN COc1cc2c(cc1CNC(=O)[C@@H]1CNC(=O)C1)O[C@@H](C)C2 ZINC000153173758 415976997 /nfs/dbraw/zinc/97/69/97/415976997.db2.gz JUIOTHFXIRRVSM-CABZTGNLSA-N 0 0 304.346 0.771 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000153362282 415978109 /nfs/dbraw/zinc/97/81/09/415978109.db2.gz AZOGUABRNHMYGA-JTQLQIEISA-N 0 0 315.333 0.190 10 0 DCAERN CCCN(CC)c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cn1 ZINC000153330537 415979717 /nfs/dbraw/zinc/97/97/17/415979717.db2.gz VTNSCYGZZPYBRH-LBPRGKRZSA-N 0 0 318.377 0.853 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc(C)c(C)[nH]c1=O ZINC000153586217 415984447 /nfs/dbraw/zinc/98/44/47/415984447.db2.gz KUXMMHAQPYUEQU-SNVBAGLBSA-N 0 0 316.365 0.806 10 0 DCAERN Cn1cc(C(=O)C(=O)NCc2cn(C)nc2C(F)(F)F)cn1 ZINC000153963157 415990176 /nfs/dbraw/zinc/99/01/76/415990176.db2.gz QENLYQBBAYTDPO-UHFFFAOYSA-N 0 0 315.255 0.672 10 0 DCAERN C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000155031382 415993448 /nfs/dbraw/zinc/99/34/48/415993448.db2.gz LYLXOQMUEWNYHP-CABCVRRESA-N 0 0 318.421 0.887 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000337693924 415997064 /nfs/dbraw/zinc/99/70/64/415997064.db2.gz QXPCDUHQBDLMED-LLVKDONJSA-N 0 0 310.398 0.117 10 0 DCAERN C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC(=O)c1cccnc1 ZINC000132068810 415932920 /nfs/dbraw/zinc/93/29/20/415932920.db2.gz LKSIAPGECMDWHZ-ZDUSSCGKSA-N 0 0 304.394 0.802 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CCS[C@@H](C)C2)C1 ZINC000132802911 415936126 /nfs/dbraw/zinc/93/61/26/415936126.db2.gz VLPRCZXUSOFDGW-WDEREUQCSA-N 0 0 300.428 0.937 10 0 DCAERN C[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1cccc(F)c1 ZINC000132763502 415936520 /nfs/dbraw/zinc/93/65/20/415936520.db2.gz MGEHXTPDYAKMSY-IUODEOHRSA-N 0 0 310.369 0.739 10 0 DCAERN O=S(=O)(c1c(F)cccc1Cl)N1CCO[C@@H](CO)C1 ZINC000132997639 415939081 /nfs/dbraw/zinc/93/90/81/415939081.db2.gz AKLWCPNFEKWAIP-MRVPVSSYSA-N 0 0 309.746 0.861 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172118054 416043514 /nfs/dbraw/zinc/04/35/14/416043514.db2.gz AOGVWMQILHHNQD-LBPRGKRZSA-N 0 0 307.398 0.787 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000299004649 416043958 /nfs/dbraw/zinc/04/39/58/416043958.db2.gz QPRAUQLMCUQSGW-LLVKDONJSA-N 0 0 318.782 0.438 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC000172439602 416044842 /nfs/dbraw/zinc/04/48/42/416044842.db2.gz ZTCXWKGNCCUMHL-RKDXNWHRSA-N 0 0 320.374 0.530 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1COc2ccccc21 ZINC000172380959 416045249 /nfs/dbraw/zinc/04/52/49/416045249.db2.gz TUHLTSZYQDMQAF-ZYHUDNBSSA-N 0 0 310.375 0.949 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172436304 416045420 /nfs/dbraw/zinc/04/54/20/416045420.db2.gz YJYVZSICKQEBDU-RYUDHWBXSA-N 0 0 318.439 0.608 10 0 DCAERN CC(C)[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCC1=O ZINC000172746690 416047193 /nfs/dbraw/zinc/04/71/93/416047193.db2.gz OCRKZTQQSRIFHS-HOCLYGCPSA-N 0 0 323.437 0.567 10 0 DCAERN Cc1nsc(N2CCCN([C@@H]3CC(=O)N(C)C3=O)CC2)n1 ZINC000172950706 416050306 /nfs/dbraw/zinc/05/03/06/416050306.db2.gz FQUJPHKBHKFKBH-SNVBAGLBSA-N 0 0 309.395 0.116 10 0 DCAERN CN(C)c1ncccc1CNS(=O)(=O)CC1CCOCC1 ZINC000173029157 416051047 /nfs/dbraw/zinc/05/10/47/416051047.db2.gz WIPKAUZPQCVYKV-UHFFFAOYSA-N 0 0 313.423 0.994 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000299124662 416053892 /nfs/dbraw/zinc/05/38/92/416053892.db2.gz AQZGIJBRSFDBPE-ZDUSSCGKSA-N 0 0 318.312 0.751 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000173417314 416058167 /nfs/dbraw/zinc/05/81/67/416058167.db2.gz LOPNWQOTPYRGQT-FVQBIDKESA-N 0 0 304.390 0.899 10 0 DCAERN CC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173424260 416058740 /nfs/dbraw/zinc/05/87/40/416058740.db2.gz GNUJZAYTYYHTMP-NEPJUHHUSA-N 0 0 322.413 0.557 10 0 DCAERN Cn1cc(CCCNC(=O)N2CC[C@H](N3CCOCC3)C2)cn1 ZINC000173800273 416065869 /nfs/dbraw/zinc/06/58/69/416065869.db2.gz LGPWJNLGXBUAMO-HNNXBMFYSA-N 0 0 321.425 0.469 10 0 DCAERN CCc1ocnc1C(=O)N1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000299767592 416066077 /nfs/dbraw/zinc/06/60/77/416066077.db2.gz IOKHCRDRMJIJOV-UHFFFAOYSA-N 0 0 319.365 0.259 10 0 DCAERN CC(C)c1nnnn1CC(=O)NCc1nnc2n1CCCCC2 ZINC000174040569 416072144 /nfs/dbraw/zinc/07/21/44/416072144.db2.gz VXJQOSDOSYCNHR-UHFFFAOYSA-N 0 0 318.385 0.431 10 0 DCAERN NC(=O)CN1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000301101052 416073849 /nfs/dbraw/zinc/07/38/49/416073849.db2.gz HRACGJZMMLGXEP-UHFFFAOYSA-N 0 0 301.350 0.697 10 0 DCAERN CCc1cnc(CCNC(=O)NC[C@H]2CN(C)CCO2)s1 ZINC000174163363 416074209 /nfs/dbraw/zinc/07/42/09/416074209.db2.gz HFSZBHHPFWINQX-NSHDSACASA-N 0 0 312.439 0.878 10 0 DCAERN Cc1cc(N2CCN(Cc3nccn3C)CC2)n2ncnc2n1 ZINC000301074540 416074723 /nfs/dbraw/zinc/07/47/23/416074723.db2.gz CGUJDMUJTQBZLO-UHFFFAOYSA-N 0 0 312.381 0.488 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CNC(=O)c1cccnc1 ZINC000158864314 416003525 /nfs/dbraw/zinc/00/35/25/416003525.db2.gz SIMSPWUFIOMYIQ-UHFFFAOYSA-N 0 0 315.377 0.980 10 0 DCAERN COc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1OC ZINC000158857618 416003738 /nfs/dbraw/zinc/00/37/38/416003738.db2.gz JMQIMUNANOLBJP-NSHDSACASA-N 0 0 303.380 0.999 10 0 DCAERN CC(C)c1nnnn1CC(=O)NC[C@]1(O)CCc2ccccc21 ZINC000159023892 416005712 /nfs/dbraw/zinc/00/57/12/416005712.db2.gz DDXCNKVECPEAKV-MRXNPFEDSA-N 0 0 315.377 0.747 10 0 DCAERN Cn1cc([C@@]2(C)CN([C@@H]3CCN(C4CC4)C3=O)CCO2)cn1 ZINC000159067035 416008148 /nfs/dbraw/zinc/00/81/48/416008148.db2.gz WRKDVZOEUFYLDQ-GDBMZVCRSA-N 0 0 304.394 0.731 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1C ZINC000166737884 416022713 /nfs/dbraw/zinc/02/27/13/416022713.db2.gz QSLOTOWUAPNSCZ-CYBMUJFWSA-N 0 0 303.362 0.979 10 0 DCAERN COC(=O)C[C@H]1CN(S(=O)(=O)Cc2cc(C)on2)CCO1 ZINC000168134802 416024067 /nfs/dbraw/zinc/02/40/67/416024067.db2.gz XPFFMJGVQBFMJE-NSHDSACASA-N 0 0 318.351 0.077 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000357428161 416079057 /nfs/dbraw/zinc/07/90/57/416079057.db2.gz QWCBIZNJTZQTBN-LLVKDONJSA-N 0 0 311.304 0.564 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)NCCCN1CCCC1=O)CC2 ZINC000170740745 416030616 /nfs/dbraw/zinc/03/06/16/416030616.db2.gz ISNDEYBEMQSYAE-GFCCVEGCSA-N 0 0 320.397 0.213 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000298829332 416032554 /nfs/dbraw/zinc/03/25/54/416032554.db2.gz HJXRVGLWEHQSGJ-COPLHBTASA-N 0 0 304.346 0.952 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000170823315 416034620 /nfs/dbraw/zinc/03/46/20/416034620.db2.gz CUUJCAMAUROHQH-GWCFXTLKSA-N 0 0 316.361 0.086 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)OCC ZINC000357145484 416037460 /nfs/dbraw/zinc/03/74/60/416037460.db2.gz BWZVDUAWJDSFAD-XOIDGJRKSA-N 0 0 315.395 0.905 10 0 DCAERN CN(Cc1ccco1)C(=O)CN1CCN(c2cccnn2)CC1 ZINC000171351120 416038113 /nfs/dbraw/zinc/03/81/13/416038113.db2.gz YEFUKTXUBBDMGY-UHFFFAOYSA-N 0 0 315.377 0.850 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCN(C(C)=O)C[C@H]2C)nc1 ZINC000357175420 416041157 /nfs/dbraw/zinc/04/11/57/416041157.db2.gz WSLGUVDEYTXGNL-SNVBAGLBSA-N 0 0 312.395 0.047 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000174790312 416087580 /nfs/dbraw/zinc/08/75/80/416087580.db2.gz JEXVZDBAHCDGSZ-GJZGRUSLSA-N 0 0 322.453 0.284 10 0 DCAERN CO[C@H](C)CC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174992062 416091970 /nfs/dbraw/zinc/09/19/70/416091970.db2.gz OCWSQYDYXAYFOM-NEPJUHHUSA-N 0 0 308.382 0.765 10 0 DCAERN COCCN(C(=O)N[C@H](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000357524865 416092578 /nfs/dbraw/zinc/09/25/78/416092578.db2.gz VPXCJMVILHSHCN-PWSUYJOCSA-N 0 0 304.412 0.630 10 0 DCAERN Cn1cc([C@@](C)(O)CNc2ncccc2S(C)(=O)=O)cn1 ZINC000302713862 416098128 /nfs/dbraw/zinc/09/81/28/416098128.db2.gz FCGBFGUCUFPDPD-ZDUSSCGKSA-N 0 0 310.379 0.538 10 0 DCAERN CCCNC(=O)C1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000302828965 416101445 /nfs/dbraw/zinc/10/14/45/416101445.db2.gz JIWPBPZEVLDJAN-UHFFFAOYSA-N 0 0 317.397 0.688 10 0 DCAERN COC(=O)C[C@@H]1NC(=O)N(Cc2ccc3cc[nH]c3n2)C1=O ZINC000357592782 416102846 /nfs/dbraw/zinc/10/28/46/416102846.db2.gz HMHAYROJYLASHL-JTQLQIEISA-N 0 0 302.290 0.546 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)[C@@H](O)Cc2ccccc2Cl)C1 ZINC000357600763 416103379 /nfs/dbraw/zinc/10/33/79/416103379.db2.gz PJZIWOUODFODHY-PWSUYJOCSA-N 0 0 311.769 0.513 10 0 DCAERN Cc1oc(C(=O)N[C@H]2CCOC[C@H]2C)cc1S(N)(=O)=O ZINC000312725115 416106308 /nfs/dbraw/zinc/10/63/08/416106308.db2.gz GXEVWAXFWDRXPN-APPZFPTMSA-N 0 0 302.352 0.390 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313664676 416109209 /nfs/dbraw/zinc/10/92/09/416109209.db2.gz NJFMATGWFRCHPQ-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@H]3CCCOC3)CCO2)[nH]1 ZINC000178089146 416156175 /nfs/dbraw/zinc/15/61/75/416156175.db2.gz XGRLKQZKYFFCKW-WDEREUQCSA-N 0 0 309.370 0.629 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000175726695 416111823 /nfs/dbraw/zinc/11/18/23/416111823.db2.gz JHPJDUMVWZPROJ-JSGCOSHPSA-N 0 0 309.414 0.705 10 0 DCAERN CC(CO)(CO)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000357727676 416122120 /nfs/dbraw/zinc/12/21/20/416122120.db2.gz BPRZKBUBUOCGCF-UHFFFAOYSA-N 0 0 304.346 0.733 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)nc(C)n1 ZINC000328608635 416122618 /nfs/dbraw/zinc/12/26/18/416122618.db2.gz ZZLADPQWWZSIMV-QWRGUYRKSA-N 0 0 309.345 0.771 10 0 DCAERN CC[C@H](C)CN1C(=O)N[C@@H](Cc2cn(CCOC)nn2)C1=O ZINC000328610824 416123722 /nfs/dbraw/zinc/12/37/22/416123722.db2.gz JFMDVGLMUJSIAJ-JQWIXIFHSA-N 0 0 309.370 0.638 10 0 DCAERN CN1CCN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1ncc[nH]1 ZINC000328616807 416123785 /nfs/dbraw/zinc/12/37/85/416123785.db2.gz CBRXLJMRMLMTJD-ZDUSSCGKSA-N 0 0 311.349 0.810 10 0 DCAERN c1nc2n(n1)C[C@H](Nc1nccc(N[C@H]3CCCOC3)n1)CC2 ZINC000328638561 416125867 /nfs/dbraw/zinc/12/58/67/416125867.db2.gz PECDNFQWICOMGX-NEPJUHHUSA-N 0 0 315.381 1.086 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000176370291 416126209 /nfs/dbraw/zinc/12/62/09/416126209.db2.gz DXUQBVJEKIMPOE-NSHDSACASA-N 0 0 318.345 0.994 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)N[C@@H]1CCS(=O)(=O)C1 ZINC000176370277 416126279 /nfs/dbraw/zinc/12/62/79/416126279.db2.gz DXUQBVJEKIMPOE-LLVKDONJSA-N 0 0 318.345 0.994 10 0 DCAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1noc(Cc2ccccc2)n1 ZINC000176480641 416128403 /nfs/dbraw/zinc/12/84/03/416128403.db2.gz VJUSTRGBJIMVCN-CMPLNLGQSA-N 0 0 314.345 0.974 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)o1 ZINC000176644539 416131453 /nfs/dbraw/zinc/13/14/53/416131453.db2.gz TXFHWFSQLKZXFH-JSGCOSHPSA-N 0 0 315.329 0.836 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000176805409 416135108 /nfs/dbraw/zinc/13/51/08/416135108.db2.gz ZFROMYINARFEEC-NXEZZACHSA-N 0 0 318.420 0.724 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328868452 416136109 /nfs/dbraw/zinc/13/61/09/416136109.db2.gz HGPRVGDCJWEHRE-QLFBSQMISA-N 0 0 323.437 0.565 10 0 DCAERN COCCCOC1CN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC000176923552 416137809 /nfs/dbraw/zinc/13/78/09/416137809.db2.gz VWMFFIBSPQFSCM-NSHDSACASA-N 0 0 300.399 0.801 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C[C@H]21 ZINC000328931360 416138674 /nfs/dbraw/zinc/13/86/74/416138674.db2.gz BDIFZXBUWYXFKM-ZIAGYGMSSA-N 0 0 317.393 1.291 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2Cl)CCO1 ZINC000357853214 416141974 /nfs/dbraw/zinc/14/19/74/416141974.db2.gz OVDPSUODLVWLOB-MRVPVSSYSA-N 0 0 318.782 0.848 10 0 DCAERN C[C@@H](O)C[N@@H+]1CCN(CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000177501957 416146296 /nfs/dbraw/zinc/14/62/96/416146296.db2.gz JZDWQGYAOGRKNE-QWHCGFSZSA-N 0 0 301.431 0.898 10 0 DCAERN O=C([C@@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000329093538 416149132 /nfs/dbraw/zinc/14/91/32/416149132.db2.gz KFCPZYUGQTVQIU-STQMWFEESA-N 0 0 315.377 1.311 10 0 DCAERN O=S(=O)(Cc1ncc(-c2cccs2)o1)C[C@H](O)CO ZINC000177670521 416149862 /nfs/dbraw/zinc/14/98/62/416149862.db2.gz LKXBHGZIFDQGRX-MRVPVSSYSA-N 0 0 303.361 0.671 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000177710666 416151131 /nfs/dbraw/zinc/15/11/31/416151131.db2.gz QVOVNLKEJPMLLT-BJJXKVORSA-N 0 0 317.389 0.955 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)CNC(=O)c1cccnc1 ZINC000177818821 416152890 /nfs/dbraw/zinc/15/28/90/416152890.db2.gz GIZVOVYVOMIEDS-UHFFFAOYSA-N 0 0 315.377 0.521 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nncn2C)[C@@H](C)C1 ZINC000357924180 416154804 /nfs/dbraw/zinc/15/48/04/416154804.db2.gz HCEJDCWZWZDJLU-VHSXEESVSA-N 0 0 311.411 0.375 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCc1ccn(C)n1 ZINC000357440219 416081274 /nfs/dbraw/zinc/08/12/74/416081274.db2.gz XEQYWNCJGMTSGP-UHFFFAOYSA-N 0 0 306.370 0.724 10 0 DCAERN C[C@H]1OCCN(C(=O)NCc2cccnc2-n2cncn2)[C@@H]1C ZINC000178549450 416166245 /nfs/dbraw/zinc/16/62/45/416166245.db2.gz UURROSCFAUZJIP-VXGBXAGGSA-N 0 0 316.365 0.981 10 0 DCAERN Cn1c(=O)cc(C[S@](=O)c2ccc(F)c(F)c2)n(C)c1=O ZINC000178546090 416166278 /nfs/dbraw/zinc/16/62/78/416166278.db2.gz AHUSHAIVJODWSI-NRFANRHFSA-N 0 0 314.313 0.670 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000178677857 416169318 /nfs/dbraw/zinc/16/93/18/416169318.db2.gz XCLNKEXKEWCMEB-QWHCGFSZSA-N 0 0 309.410 0.522 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CCC(=O)NC1CCCC1 ZINC000182861714 416233159 /nfs/dbraw/zinc/23/31/59/416233159.db2.gz VIPOWIAFDWPGTJ-OAHLLOKOSA-N 0 0 300.399 0.729 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(F)c(F)c(F)c1F ZINC000178726136 416170756 /nfs/dbraw/zinc/17/07/56/416170756.db2.gz AJZMLRKGEMTARI-MRVPVSSYSA-N 0 0 317.286 0.973 10 0 DCAERN CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000178718332 416171170 /nfs/dbraw/zinc/17/11/70/416171170.db2.gz RJTGUQSPBKVIOB-GFCCVEGCSA-N 0 0 324.425 0.160 10 0 DCAERN COC[C@H](C)N(C)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000178783063 416173011 /nfs/dbraw/zinc/17/30/11/416173011.db2.gz YIJXEARZTFGRJT-NSHDSACASA-N 0 0 317.411 0.890 10 0 DCAERN COC(=O)C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000178947088 416178210 /nfs/dbraw/zinc/17/82/10/416178210.db2.gz XUGISARHTVFUMD-VXGBXAGGSA-N 0 0 304.412 0.991 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C(N)=O)c(C)c1)C(C)C ZINC000178940923 416178231 /nfs/dbraw/zinc/17/82/31/416178231.db2.gz JEYJWLPZOBDDED-GFCCVEGCSA-N 0 0 306.366 0.986 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1cc(F)cc(F)c1 ZINC000178957123 416179204 /nfs/dbraw/zinc/17/92/04/416179204.db2.gz MHXAYSNBTKNMLA-ZDUSSCGKSA-N 0 0 324.331 0.019 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178957449 416179670 /nfs/dbraw/zinc/17/96/70/416179670.db2.gz UYESAKXADFSENR-HNNXBMFYSA-N 0 0 316.405 0.358 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178966245 416179903 /nfs/dbraw/zinc/17/99/03/416179903.db2.gz SPFDPENRKVEOAJ-CQSZACIVSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1ccc(CN(C(=O)CN2C[C@@H](O)C[C@@H]2CO)C2CC2)o1 ZINC000179172576 416182951 /nfs/dbraw/zinc/18/29/51/416182951.db2.gz VSOBBKSKSOHTDR-KGLIPLIRSA-N 0 0 308.378 0.507 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000179445258 416186378 /nfs/dbraw/zinc/18/63/78/416186378.db2.gz GZFZIKGUACEPAZ-UHFFFAOYSA-N 0 0 322.409 0.306 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)CCc2ccc(C)cc2)n1 ZINC000179370683 416187215 /nfs/dbraw/zinc/18/72/15/416187215.db2.gz ASWUIUULKJCAPV-UHFFFAOYSA-N 0 0 317.349 0.809 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NCc2ncccc2C)[nH]n1 ZINC000358097048 416190760 /nfs/dbraw/zinc/19/07/60/416190760.db2.gz MOCAUSZWJQGWFM-NSHDSACASA-N 0 0 315.377 0.785 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329777577 416190902 /nfs/dbraw/zinc/19/09/02/416190902.db2.gz PEZURDKSPURKAC-BMFZPTHFSA-N 0 0 323.437 0.709 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1CC ZINC000179820287 416192920 /nfs/dbraw/zinc/19/29/20/416192920.db2.gz CDZGVITYLVBSMB-UHFFFAOYSA-N 0 0 303.362 0.708 10 0 DCAERN Cc1cnc(CN2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000180410693 416195504 /nfs/dbraw/zinc/19/55/04/416195504.db2.gz IUBDDJRUYNLPBS-UHFFFAOYSA-N 0 0 324.450 0.428 10 0 DCAERN CC[C@@H](C)NC(=O)C[S@](=O)Cc1nsc(N(C)C)n1 ZINC000180262475 416195541 /nfs/dbraw/zinc/19/55/41/416195541.db2.gz FWGSQWFGNMLKLJ-LILOVNGRSA-N 0 0 304.441 0.768 10 0 DCAERN Cc1cc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)ccc1F ZINC000180505054 416197421 /nfs/dbraw/zinc/19/74/21/416197421.db2.gz DRBIPIFBCIZTGI-JTQLQIEISA-N 0 0 321.352 0.867 10 0 DCAERN Cc1nn(-c2ccccc2)cc1NC(=O)CN1CC(=O)NC1=O ZINC000181243429 416204884 /nfs/dbraw/zinc/20/48/84/416204884.db2.gz PRYKCBDMSBZGNG-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc[nH]n2)C1 ZINC000181387382 416205950 /nfs/dbraw/zinc/20/59/50/416205950.db2.gz AOFUFOWURWUMOO-MNOVXSKESA-N 0 0 306.370 0.649 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CCOC[C@H]2CCCO2)cn1 ZINC000181376286 416207033 /nfs/dbraw/zinc/20/70/33/416207033.db2.gz FGBHBGFVXOYFLS-HUUCEWRRSA-N 0 0 322.409 0.479 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181410206 416207402 /nfs/dbraw/zinc/20/74/02/416207402.db2.gz LCKVZGLKLKDJBQ-GXTWGEPZSA-N 0 0 310.398 0.335 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181688459 416209644 /nfs/dbraw/zinc/20/96/44/416209644.db2.gz QVCJGSIEJQRNEB-ZDUSSCGKSA-N 0 0 316.427 0.121 10 0 DCAERN Cc1ccc(OC2CCN(CC(=O)N3CCNC3=O)CC2)nc1 ZINC000181548555 416209874 /nfs/dbraw/zinc/20/98/74/416209874.db2.gz YKEMSJOVZOJPPH-UHFFFAOYSA-N 0 0 318.377 0.785 10 0 DCAERN COC1(CNC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CCC1 ZINC000181817616 416211507 /nfs/dbraw/zinc/21/15/07/416211507.db2.gz SAPYGCFHYKVYKB-LLVKDONJSA-N 0 0 309.370 0.765 10 0 DCAERN O=C(/C=C/c1cncc(O)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000182055128 416213154 /nfs/dbraw/zinc/21/31/54/416213154.db2.gz QYOXQUPXKBPJAB-YUKKFKLSSA-N 0 0 303.362 0.734 10 0 DCAERN COCc1nc(CN2CCN(c3nccc(OC)n3)CC2)no1 ZINC000182439238 416222544 /nfs/dbraw/zinc/22/25/44/416222544.db2.gz IZOGDPAHAJVHNW-UHFFFAOYSA-N 0 0 320.353 0.337 10 0 DCAERN Cc1cn2c(ncc(C(=O)NC[C@@H](CO)C3CC3)c2=O)s1 ZINC000358296686 416222537 /nfs/dbraw/zinc/22/25/37/416222537.db2.gz DWPPDCUTEDLFGW-JTQLQIEISA-N 0 0 307.375 0.813 10 0 DCAERN CCc1cnccc1C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000182584132 416226546 /nfs/dbraw/zinc/22/65/46/416226546.db2.gz URJZVTYIVMJBFX-LLVKDONJSA-N 0 0 311.407 0.655 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000182728360 416229338 /nfs/dbraw/zinc/22/93/38/416229338.db2.gz XSIILHROVKXNLC-CYBMUJFWSA-N 0 0 306.366 0.171 10 0 DCAERN CC[C@H](CNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)OC ZINC000358362708 416229507 /nfs/dbraw/zinc/22/95/07/416229507.db2.gz XDPIEGVNEYPWJX-OLZOCXBDSA-N 0 0 313.398 0.491 10 0 DCAERN COC[C@](C)(CCO)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000182841731 416232134 /nfs/dbraw/zinc/23/21/34/416232134.db2.gz OGNRTHUDKXRINA-HZMBPMFUSA-N 0 0 314.407 0.770 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000178131538 416157728 /nfs/dbraw/zinc/15/77/28/416157728.db2.gz SNMZWAWKBYXONH-UHFFFAOYSA-N 0 0 315.329 0.843 10 0 DCAERN CC(C)N(C)C(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000178164796 416157896 /nfs/dbraw/zinc/15/78/96/416157896.db2.gz SYVZGUYGTOTVLD-SNVBAGLBSA-N 0 0 317.415 0.424 10 0 DCAERN CSCCN1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000178504169 416164054 /nfs/dbraw/zinc/16/40/54/416164054.db2.gz XUQFZGANJCCBNG-UHFFFAOYSA-N 0 0 301.437 0.751 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cnccn1 ZINC000183739991 416251012 /nfs/dbraw/zinc/25/10/12/416251012.db2.gz XKQVVOBCKAQZBT-UHFFFAOYSA-N 0 0 317.324 0.777 10 0 DCAERN COCCC1(C)CN(C(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000358578133 416256474 /nfs/dbraw/zinc/25/64/74/416256474.db2.gz DUSVCEKGLWZOOL-UHFFFAOYSA-N 0 0 321.443 0.382 10 0 DCAERN CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)C(=O)N2C1 ZINC000350177094 416265627 /nfs/dbraw/zinc/26/56/27/416265627.db2.gz QBCJJDASVORPBT-VSSNEEPJSA-N 0 0 307.350 0.047 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000331140211 416271440 /nfs/dbraw/zinc/27/14/40/416271440.db2.gz QXMREJLBTZTEMO-KOLCDFICSA-N 0 0 315.439 0.669 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CCCN(C)C(=O)C1)CO2 ZINC000189816149 416271623 /nfs/dbraw/zinc/27/16/23/416271623.db2.gz LKPDNBIXPIPJOA-CYBMUJFWSA-N 0 0 318.373 0.937 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C/C=C\c2ccccc2)CCO1 ZINC000341793566 416235684 /nfs/dbraw/zinc/23/56/84/416235684.db2.gz SSJBFFYXIHRKCQ-SBSDFTTDSA-N 0 0 303.406 0.818 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)sc1C ZINC000193324621 416315757 /nfs/dbraw/zinc/31/57/57/416315757.db2.gz ZZHIKYVPSSDMMS-GMSGAONNSA-N 0 0 324.406 0.811 10 0 DCAERN C[C@@H]1CN(CCN(C)c2cncc(OCCO)n2)C[C@H](C)O1 ZINC000193738574 416318697 /nfs/dbraw/zinc/31/86/97/416318697.db2.gz OKUJHZCRGTUSDP-BETUJISGSA-N 0 0 310.398 0.393 10 0 DCAERN CC(C)OCCCNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000193866485 416319781 /nfs/dbraw/zinc/31/97/81/416319781.db2.gz HYUGYAQGCNDGSH-UHFFFAOYSA-N 0 0 300.380 0.879 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](CO)[C@@H]2C)C12CCC2 ZINC000358837010 416283038 /nfs/dbraw/zinc/28/30/38/416283038.db2.gz XBJIAIVDDHUJTF-XDQVBPFNSA-N 0 0 324.421 0.680 10 0 DCAERN COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCO ZINC000358943813 416294963 /nfs/dbraw/zinc/29/49/63/416294963.db2.gz ASTUOJZJFZEUMQ-CQSZACIVSA-N 0 0 308.378 0.201 10 0 DCAERN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCO ZINC000358943812 416295806 /nfs/dbraw/zinc/29/58/06/416295806.db2.gz ASTUOJZJFZEUMQ-AWEZNQCLSA-N 0 0 308.378 0.201 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262051766 416336062 /nfs/dbraw/zinc/33/60/62/416336062.db2.gz AKNSJXUDHPXTMH-JRPNMDOOSA-N 0 0 311.382 0.796 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262062152 416336172 /nfs/dbraw/zinc/33/61/72/416336172.db2.gz AXZRSHPYJMHBCD-YUELXQCFSA-N 0 0 317.389 0.675 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2ccccc2F)C1 ZINC000265251952 416341195 /nfs/dbraw/zinc/34/11/95/416341195.db2.gz AUBDPXPCFCNVLZ-MFKMUULPSA-N 0 0 302.371 0.483 10 0 DCAERN COCCOC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000359341767 416342391 /nfs/dbraw/zinc/34/23/91/416342391.db2.gz FFWKLRLGNLEQDN-STQMWFEESA-N 0 0 308.378 0.973 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCCO3)C[C@@H]1O ZINC000359382234 416344562 /nfs/dbraw/zinc/34/45/62/416344562.db2.gz DAJZUVOVGFYRQR-MFKMUULPSA-N 0 0 304.346 0.789 10 0 DCAERN C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)S(N)(=O)=O ZINC000359568620 416350661 /nfs/dbraw/zinc/35/06/61/416350661.db2.gz WXMHCKAJMSNTNT-BYPYZUCNSA-N 0 0 314.260 0.650 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC(C)(C)O1 ZINC000194476692 416323466 /nfs/dbraw/zinc/32/34/66/416323466.db2.gz HWOGQDHJJMHZRL-JTQLQIEISA-N 0 0 312.391 0.974 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000195178822 416325569 /nfs/dbraw/zinc/32/55/69/416325569.db2.gz UPMGHUUNPPYBSB-GRYCIOLGSA-N 0 0 312.414 0.505 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000195150494 416325576 /nfs/dbraw/zinc/32/55/76/416325576.db2.gz FTZCIGDGSKRCKE-IAQYHMDHSA-N 0 0 317.389 0.674 10 0 DCAERN C[C@H](NC(=O)c1ccc(CS(N)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000195166588 416325584 /nfs/dbraw/zinc/32/55/84/416325584.db2.gz RQPNIOXAWKBYJU-GWCFXTLKSA-N 0 0 312.391 0.772 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@H]2C)cc1F ZINC000195487511 416326452 /nfs/dbraw/zinc/32/64/52/416326452.db2.gz IZDDAUCGJIDAHA-NOZJJQNGSA-N 0 0 321.352 0.967 10 0 DCAERN CC(=O)c1cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)n(C)c1 ZINC000416288261 416363638 /nfs/dbraw/zinc/36/36/38/416363638.db2.gz DAVHAMBWRJQZKF-NWDGAFQWSA-N 0 0 307.394 0.755 10 0 DCAERN CCOc1ccc(C(=O)NCC(=O)N(CC)CC(=O)OC)cc1 ZINC000359812131 416360332 /nfs/dbraw/zinc/36/03/32/416360332.db2.gz TYBHNBPWPZAPEL-UHFFFAOYSA-N 0 0 322.361 0.837 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000360866662 416414329 /nfs/dbraw/zinc/41/43/29/416414329.db2.gz DNMXGYRBLIEHOB-NWDGAFQWSA-N 0 0 300.399 0.395 10 0 DCAERN NC(=O)c1nccnc1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000360147151 416374472 /nfs/dbraw/zinc/37/44/72/416374472.db2.gz AQINFSVZOUBBBM-UHFFFAOYSA-N 0 0 312.333 0.823 10 0 DCAERN C[C@@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)C1)C(=O)N(C)C ZINC000360301262 416385229 /nfs/dbraw/zinc/38/52/29/416385229.db2.gz RPLUJVGXCMAONL-LDYMZIIASA-N 0 0 311.304 0.562 10 0 DCAERN COc1c(NC(=O)NC[C@H](O)C(F)(F)F)cccc1C(N)=O ZINC000360384480 416387656 /nfs/dbraw/zinc/38/76/56/416387656.db2.gz REYDOIPIDZOJNC-QMMMGPOBSA-N 0 0 321.255 0.839 10 0 DCAERN Cc1cc(C)cc(OCCN(C)C(=O)CN2CC(=O)N(C)C2)c1 ZINC000360492490 416392895 /nfs/dbraw/zinc/39/28/95/416392895.db2.gz SGXKKZSIPVWUSO-UHFFFAOYSA-N 0 0 319.405 0.872 10 0 DCAERN CN1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1=O ZINC000360491728 416393273 /nfs/dbraw/zinc/39/32/73/416393273.db2.gz OFKKJJLJQFXZFV-UHFFFAOYSA-N 0 0 322.434 0.124 10 0 DCAERN COC(=O)c1ccccc1N(C)C(=O)CN1CC(=O)N(C)C1 ZINC000360491691 416393310 /nfs/dbraw/zinc/39/33/10/416393310.db2.gz OBQZQPYHSPANLC-UHFFFAOYSA-N 0 0 305.334 0.168 10 0 DCAERN COCC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C)c1ccco1 ZINC000360739934 416406598 /nfs/dbraw/zinc/40/65/98/416406598.db2.gz RPHAIDLOUAVHHC-UPJWGTAASA-N 0 0 324.377 0.703 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000360780900 416409774 /nfs/dbraw/zinc/40/97/74/416409774.db2.gz MTXWKXZZSYSJEH-UHFFFAOYSA-N 0 0 309.329 0.855 10 0 DCAERN CCO[C@H](CCNC(=O)NC[C@H](O)Cn1ccnn1)C(C)C ZINC000458526509 416476799 /nfs/dbraw/zinc/47/67/99/416476799.db2.gz XOPUNLAQWDDETH-QWHCGFSZSA-N 0 0 313.402 0.389 10 0 DCAERN C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000583622063 416480154 /nfs/dbraw/zinc/48/01/54/416480154.db2.gz JCIRVFHLRPYABG-GRYCIOLGSA-N 0 0 306.366 0.280 10 0 DCAERN CN1C[C@H](NC(=O)CN2CCCC2=O)CC[C@@H]1C(F)(F)F ZINC000583620106 416480276 /nfs/dbraw/zinc/48/02/76/416480276.db2.gz ZERFRDUMMPLOIQ-NXEZZACHSA-N 0 0 307.316 0.750 10 0 DCAERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)[C@@H]1CCOC1 ZINC000583622035 416480532 /nfs/dbraw/zinc/48/05/32/416480532.db2.gz DJRUTSYJICPLMU-RDBSUJKOSA-N 0 0 308.357 0.542 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)[nH]1 ZINC000533684183 416488705 /nfs/dbraw/zinc/48/87/05/416488705.db2.gz QCLBLGYLOHAXFW-OAHLLOKOSA-N 0 0 307.398 0.308 10 0 DCAERN COC(=O)c1nc(N2CC[C@H](S(N)(=O)=O)C2)sc1C ZINC000434101832 416460120 /nfs/dbraw/zinc/46/01/20/416460120.db2.gz LUNHIJHRMDAHFV-ZETCQYMHSA-N 0 0 305.381 0.105 10 0 DCAERN COC(=O)c1csc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000535677106 416522718 /nfs/dbraw/zinc/52/27/18/416522718.db2.gz SVFVYJCWERXEJD-QMMMGPOBSA-N 0 0 312.351 0.809 10 0 DCAERN O=C(C1CCN(CC(F)(F)F)CC1)N1CC(n2ccnn2)C1 ZINC000361927959 416523581 /nfs/dbraw/zinc/52/35/81/416523581.db2.gz YFNIECRJEGQJGR-UHFFFAOYSA-N 0 0 317.315 0.936 10 0 DCAERN COC(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H](O)C(F)F ZINC000435595069 416525557 /nfs/dbraw/zinc/52/55/57/416525557.db2.gz BBRQOMKIXPNBOG-SECBINFHSA-N 0 0 324.305 0.159 10 0 DCAERN CCN(C[C@H](C)OC)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000361939187 416529391 /nfs/dbraw/zinc/52/93/91/416529391.db2.gz NEBMURXHYDBFFN-JTQLQIEISA-N 0 0 311.386 0.855 10 0 DCAERN CCOc1ccc(NC(=O)NC[C@@H](O)Cn2ccnn2)cc1F ZINC000459353550 416537740 /nfs/dbraw/zinc/53/77/40/416537740.db2.gz SXUBNWSHCJAJEO-LLVKDONJSA-N 0 0 323.328 0.999 10 0 DCAERN C[S@](=O)C1(CNC(=O)Nc2ncn(C(C)(C)C)n2)CCC1 ZINC000436359172 416555939 /nfs/dbraw/zinc/55/59/39/416555939.db2.gz CMUCOLCGUNCLCV-OAQYLSRUSA-N 0 0 313.427 1.456 10 0 DCAERN CCO[C@H]1C[C@](CO)(NC(=O)NCc2ccn(C)n2)C1(C)C ZINC000436371674 416556255 /nfs/dbraw/zinc/55/62/55/416556255.db2.gz WSAFLENAAUCSPY-SWLSCSKDSA-N 0 0 310.398 0.785 10 0 DCAERN CC1(C)[C@H](NC(=O)N2CC[C@H](NC(N)=O)C2)[C@H]2CCCO[C@@H]21 ZINC000534260416 416495545 /nfs/dbraw/zinc/49/55/45/416495545.db2.gz SAZMAXIQBQNAJK-QCNOEVLYSA-N 0 0 310.398 0.642 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000361788232 416496700 /nfs/dbraw/zinc/49/67/00/416496700.db2.gz QWBLEPAAMUSZPJ-HOSYDEDBSA-N 0 0 304.412 0.277 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CC(=O)N(CC)C2)no1 ZINC000459040978 416519860 /nfs/dbraw/zinc/51/98/60/416519860.db2.gz ZZFFRTTUDKUNGF-SECBINFHSA-N 0 0 309.370 0.787 10 0 DCAERN Cc1ccc(C(=O)NCCC(=O)NC[C@@H](CO)C2CC2)c(O)c1 ZINC000436618299 416565543 /nfs/dbraw/zinc/56/55/43/416565543.db2.gz KTPVRZYWFFMBNL-ZDUSSCGKSA-N 0 0 320.389 0.955 10 0 DCAERN Nc1nc(Cl)cc(N[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000364887357 416595437 /nfs/dbraw/zinc/59/54/37/416595437.db2.gz HMJFGRAGTXFJNL-SECBINFHSA-N 0 0 311.773 0.326 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)NCC3(CO)COC3)cnc21 ZINC000438203608 416596029 /nfs/dbraw/zinc/59/60/29/416596029.db2.gz SPWXIOCLTOJRJF-UHFFFAOYSA-N 0 0 318.377 0.826 10 0 DCAERN CCOc1nccnc1N1CCN(Cc2nc(C)no2)CC1 ZINC000540970826 416600813 /nfs/dbraw/zinc/60/08/13/416600813.db2.gz YSHLATZMCSASIK-UHFFFAOYSA-N 0 0 304.354 0.889 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2nc(-c3ccc(C)cc3)no2)CCO1 ZINC000541061049 416602590 /nfs/dbraw/zinc/60/25/90/416602590.db2.gz UBAOKMLGLSTBDT-CYBMUJFWSA-N 0 0 316.361 0.992 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)CCCN2C(=O)CCC2=O)n1 ZINC000541320153 416606756 /nfs/dbraw/zinc/60/67/56/416606756.db2.gz RZRGNRSQBPWGDC-UHFFFAOYSA-N 0 0 307.354 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)c1O ZINC000436715914 416567459 /nfs/dbraw/zinc/56/74/59/416567459.db2.gz MQSMWXSZFFFBJV-MNOVXSKESA-N 0 0 322.361 0.887 10 0 DCAERN CC(C)(CN1CCn2ccnc2C1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000364182636 416581579 /nfs/dbraw/zinc/58/15/79/416581579.db2.gz NGKZJIAPZDXSTK-UONOGXRCSA-N 0 0 318.421 0.778 10 0 DCAERN Cc1csc(NC2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC000364292945 416583695 /nfs/dbraw/zinc/58/36/95/416583695.db2.gz RDWAQOMXMGMFOX-UHFFFAOYSA-N 0 0 307.383 0.541 10 0 DCAERN Cc1nc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)c(C)o1 ZINC000542758566 416629018 /nfs/dbraw/zinc/62/90/18/416629018.db2.gz FLAPQQFETSCHFV-ZDUSSCGKSA-N 0 0 308.382 0.560 10 0 DCAERN C[C@@H](CO)N(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000367241560 416644867 /nfs/dbraw/zinc/64/48/67/416644867.db2.gz YLFCQNVUDMETFP-ZETOZRRWSA-N 0 0 311.382 0.326 10 0 DCAERN COC(=O)CC1(CN2CCN(Cc3nc(C)no3)CC2)CC1 ZINC000440765866 416647746 /nfs/dbraw/zinc/64/77/46/416647746.db2.gz PNPUAUKSLQJKQA-UHFFFAOYSA-N 0 0 308.382 0.839 10 0 DCAERN Cc1cc2c(cc1NC(=O)N(C)Cc1nnnn1C)OCO2 ZINC000543766009 416647941 /nfs/dbraw/zinc/64/79/41/416647941.db2.gz FMJTYXYYTZOFGY-UHFFFAOYSA-N 0 0 304.310 0.911 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000544670294 416659437 /nfs/dbraw/zinc/65/94/37/416659437.db2.gz YJYGAQAHWWPWJW-NEPJUHHUSA-N 0 0 304.412 0.989 10 0 DCAERN CCN1C[C@H](C)N(C(=O)C(=O)Nc2c(C)nn(C)c2C)C[C@@H]1C ZINC000441123867 416661609 /nfs/dbraw/zinc/66/16/09/416661609.db2.gz KLXGRWCTFLBIFM-QWRGUYRKSA-N 0 0 321.425 0.917 10 0 DCAERN Cc1c(NC(=O)C(=O)N[C@H]2CC[S@@](=O)C2)cccc1N(C)C ZINC000441188304 416664208 /nfs/dbraw/zinc/66/42/08/416664208.db2.gz KCKMZYMQBVUTHZ-KPWVOAKYSA-N 0 0 323.418 0.637 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC(=O)N1C ZINC000368521608 416664835 /nfs/dbraw/zinc/66/48/35/416664835.db2.gz HEKLVUJKSYMAPA-CHWSQXEVSA-N 0 0 317.393 0.532 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000545229124 416667342 /nfs/dbraw/zinc/66/73/42/416667342.db2.gz GGBNTAWVDOGVMA-JSGCOSHPSA-N 0 0 308.386 0.557 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000545318305 416671964 /nfs/dbraw/zinc/67/19/64/416671964.db2.gz ZCLUNDXKONCJDC-NEPJUHHUSA-N 0 0 302.396 0.749 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442408701 416693392 /nfs/dbraw/zinc/69/33/92/416693392.db2.gz JCJJJXLYZAPJJQ-UHFFFAOYSA-N 0 0 304.306 0.984 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@](C)(O)C2)[C@@H]1c1ccccc1 ZINC000368940370 416706941 /nfs/dbraw/zinc/70/69/41/416706941.db2.gz HVWFANZEZJJBLZ-ZOBUZTSGSA-N 0 0 318.373 0.568 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000442737135 416709947 /nfs/dbraw/zinc/70/99/47/416709947.db2.gz MVRFPVNAXWNAIE-ZWNOBZJWSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCO)cc1 ZINC000443000579 416724500 /nfs/dbraw/zinc/72/45/00/416724500.db2.gz NIPPSPKWTDZNKP-LBPRGKRZSA-N 0 0 314.407 0.503 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000557383053 416732525 /nfs/dbraw/zinc/73/25/25/416732525.db2.gz LVZLRQRMJPJDQK-LLVKDONJSA-N 0 0 324.344 0.670 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000557385179 416733150 /nfs/dbraw/zinc/73/31/50/416733150.db2.gz ZUHYMSNIYMQXCO-NSHDSACASA-N 0 0 324.344 0.670 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)C(C)C ZINC000614990386 416733670 /nfs/dbraw/zinc/73/36/70/416733670.db2.gz XNCOYYUTMAEVFL-LLVKDONJSA-N 0 0 308.386 0.254 10 0 DCAERN CC(=O)c1ccc(OCCCC(=O)N2CC(O)(CO)C2)cc1 ZINC000615417069 416823664 /nfs/dbraw/zinc/82/36/64/416823664.db2.gz JNMZPTBIMZVMDH-UHFFFAOYSA-N 0 0 307.346 0.614 10 0 DCAERN CCc1nc(CN(C)C(=O)C(=O)NCc2ccn(C)n2)cs1 ZINC000558097641 416761257 /nfs/dbraw/zinc/76/12/57/416761257.db2.gz WZQSWVPOBURRJF-UHFFFAOYSA-N 0 0 321.406 0.714 10 0 DCAERN Cc1cc(CCNC(=O)N2CCN(c3cnccn3)CC2)on1 ZINC000558173195 416763270 /nfs/dbraw/zinc/76/32/70/416763270.db2.gz DUCOMULQVWZQMO-UHFFFAOYSA-N 0 0 316.365 0.847 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cn1 ZINC000558622501 416779605 /nfs/dbraw/zinc/77/96/05/416779605.db2.gz BYLJQIJPBBPESZ-ZDUSSCGKSA-N 0 0 318.308 0.470 10 0 DCAERN CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@@H]1CCOC1 ZINC000517772833 416825210 /nfs/dbraw/zinc/82/52/10/416825210.db2.gz OFKNOAGOOACGJG-XQHKEYJVSA-N 0 0 310.394 0.554 10 0 DCAERN O=C(Cn1cccn1)N1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000561992342 416861911 /nfs/dbraw/zinc/86/19/11/416861911.db2.gz APASJKZZGWTCIH-LBPRGKRZSA-N 0 0 311.349 0.639 10 0 DCAERN CCO[C@@H]1C[C@](NCCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749486 416863082 /nfs/dbraw/zinc/86/30/82/416863082.db2.gz WGYCDPQUQPLGHP-CJNGLKHVSA-N 0 0 314.426 0.655 10 0 DCAERN CCO[C@@H]1C[C@@](NCCC(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444762171 416868444 /nfs/dbraw/zinc/86/84/44/416868444.db2.gz YTOUJWXAWQDNQX-IAQYHMDHSA-N 0 0 300.399 0.801 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC)cn2)C1 ZINC000445209861 416890335 /nfs/dbraw/zinc/89/03/35/416890335.db2.gz HGOWDGQDRRXQAW-LBPRGKRZSA-N 0 0 321.381 0.693 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CCC2)C1 ZINC000517811680 416828045 /nfs/dbraw/zinc/82/80/45/416828045.db2.gz IGMWWGFVHYZHLJ-ZDUSSCGKSA-N 0 0 321.421 0.953 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)[C@H]3CCCCN3C2=O)c1 ZINC000445937374 416905707 /nfs/dbraw/zinc/90/57/07/416905707.db2.gz KMOYJCIUSICCNK-GFCCVEGCSA-N 0 0 323.374 0.916 10 0 DCAERN CC(=O)N(C)c1cccc(N2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)c1 ZINC000445969456 416907340 /nfs/dbraw/zinc/90/73/40/416907340.db2.gz QDJZJMDTWOTZKP-UONOGXRCSA-N 0 0 317.345 0.961 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC000615818267 416915367 /nfs/dbraw/zinc/91/53/67/416915367.db2.gz FEYUJQOFZBKRFY-GYSYKLTISA-N 0 0 318.377 0.956 10 0 DCAERN CS(=O)(=O)N1CCC(N2C(=O)N[C@@H](CC3CC3)C2=O)CC1 ZINC000519740048 416934632 /nfs/dbraw/zinc/93/46/32/416934632.db2.gz CWFKTBDXBHCZNM-NSHDSACASA-N 0 0 315.395 0.131 10 0 DCAERN COc1ccc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000446739339 416944992 /nfs/dbraw/zinc/94/49/92/416944992.db2.gz SZACZDNDFSUIQV-INIZCTEOSA-N 0 0 318.377 0.902 10 0 DCAERN CNC(=O)C1(C(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000520306319 416951940 /nfs/dbraw/zinc/95/19/40/416951940.db2.gz OFSDSTGBRWGVAZ-NSHDSACASA-N 0 0 304.346 0.859 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000447771968 417029146 /nfs/dbraw/zinc/02/91/46/417029146.db2.gz GLGBONHPADRNHQ-SMDDNHRTSA-N 0 0 320.455 0.714 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000376539684 417032013 /nfs/dbraw/zinc/03/20/13/417032013.db2.gz MMBFDUXAEQKGFR-LBPRGKRZSA-N 0 0 306.370 0.244 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000374567846 416982564 /nfs/dbraw/zinc/98/25/64/416982564.db2.gz GDSHPVMEGWSFEO-KBPBESRZSA-N 0 0 319.409 0.383 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000624262159 416993816 /nfs/dbraw/zinc/99/38/16/416993816.db2.gz JMRRJPULYHZXQR-SDDRHHMPSA-N 0 0 304.412 0.078 10 0 DCAERN Cn1cc(O[C@@H]2CN(c3cc(NC4CC4)ncn3)C[C@H]2O)cn1 ZINC000624424222 417039786 /nfs/dbraw/zinc/03/97/86/417039786.db2.gz OXSKCPRWRCJIEW-CHWSQXEVSA-N 0 0 316.365 0.413 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCO[C@H](C)[C@@H]1C ZINC000380378264 417084717 /nfs/dbraw/zinc/08/47/17/417084717.db2.gz KXSQRNOMXSILFD-QCNOEVLYSA-N 0 0 305.396 0.767 10 0 DCAERN CC(=O)N[C@H]1CN(CCNC(=O)OC(C)(C)C)CCCO1 ZINC000616598918 417084772 /nfs/dbraw/zinc/08/47/72/417084772.db2.gz VHOZMGXOGQKBAK-GFCCVEGCSA-N 0 0 301.387 0.696 10 0 DCAERN CCOC(=O)c1ccc([C@H]2CNCCN2S(C)(=O)=O)cc1 ZINC000616639451 417087310 /nfs/dbraw/zinc/08/73/10/417087310.db2.gz NQQIZJXMDGTOMU-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2CN(S(C)(=O)=O)CCN2)c1 ZINC000616635071 417087730 /nfs/dbraw/zinc/08/77/30/417087730.db2.gz KXMLXNQYWGWTGC-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCO[C@H](c2cc(N)n[nH]2)C1 ZINC000616649021 417088391 /nfs/dbraw/zinc/08/83/91/417088391.db2.gz SHTDXNIKPCJSNA-NSHDSACASA-N 0 0 311.386 0.890 10 0 DCAERN CCOC(=O)[C@H]1COCCN1CCNC(=O)OC(C)(C)C ZINC000616640435 417088716 /nfs/dbraw/zinc/08/87/16/417088716.db2.gz YDCBUHOEAFMKSZ-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616664188 417090336 /nfs/dbraw/zinc/09/03/36/417090336.db2.gz WUMKZQJNDXDBSN-JTQLQIEISA-N 0 0 308.363 0.249 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@H](c2c[nH]nn2)C1 ZINC000616662751 417090912 /nfs/dbraw/zinc/09/09/12/417090912.db2.gz FKCOCIGAEMGXCB-LLVKDONJSA-N 0 0 311.386 0.745 10 0 DCAERN CC(=O)C1(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000632447027 417094317 /nfs/dbraw/zinc/09/43/17/417094317.db2.gz VFJWKGABNNKJQB-UHFFFAOYSA-N 0 0 311.285 0.839 10 0 DCAERN Cc1cccc2c1O[C@H](C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)C2 ZINC000616766632 417106504 /nfs/dbraw/zinc/10/65/04/417106504.db2.gz JCZNQQKOQGUMNK-QPSCCSFWSA-N 0 0 313.357 0.986 10 0 DCAERN C[C@@H]1CC[C@H](O)CN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000399198487 417110353 /nfs/dbraw/zinc/11/03/53/417110353.db2.gz MNOXDMZHWRIVGM-GRYCIOLGSA-N 0 0 304.412 0.172 10 0 DCAERN Cc1cccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1F ZINC000404175049 417118456 /nfs/dbraw/zinc/11/84/56/417118456.db2.gz HGAWHVIDTYTUGE-ZDUSSCGKSA-N 0 0 303.355 0.954 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2nscc2Br)C1 ZINC000404846928 417120541 /nfs/dbraw/zinc/12/05/41/417120541.db2.gz DXTMEWOIVMFPEK-SSDOTTSWSA-N 0 0 320.212 0.966 10 0 DCAERN O=C(c1nscc1Br)N1CCC[C@](O)(CO)C1 ZINC000404963877 417120886 /nfs/dbraw/zinc/12/08/86/417120886.db2.gz WJVHHEZUVRURSB-SNVBAGLBSA-N 0 0 321.196 0.865 10 0 DCAERN C[C@@H]1CN(C(=O)c2nscc2Br)CC(=O)N1 ZINC000404808173 417121638 /nfs/dbraw/zinc/12/16/38/417121638.db2.gz VGKMARSRWHCZHZ-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)N(C)C1 ZINC000408035267 417133229 /nfs/dbraw/zinc/13/32/29/417133229.db2.gz KNWIFGYRHHFGNR-AGIUHOORSA-N 0 0 321.425 0.552 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCOc3cc(O)ccc3C2)N(C)C1 ZINC000408109089 417141644 /nfs/dbraw/zinc/14/16/44/417141644.db2.gz XDKPEZGPZALIHX-KBPBESRZSA-N 0 0 306.362 0.832 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000408070109 417136388 /nfs/dbraw/zinc/13/63/88/417136388.db2.gz FJCPOWOIXWWFSJ-VXGBXAGGSA-N 0 0 319.471 0.961 10 0 DCAERN C[C@H]1C[C@H](C)CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1 ZINC000408150749 417144288 /nfs/dbraw/zinc/14/42/88/417144288.db2.gz NNIPDFPCMYVRAJ-QWRGUYRKSA-N 0 0 309.453 0.871 10 0 DCAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCOCC2(CC2)C1 ZINC000408174113 417147470 /nfs/dbraw/zinc/14/74/70/417147470.db2.gz GXTINVZXEGATGQ-LLVKDONJSA-N 0 0 304.412 0.199 10 0 DCAERN CC(=O)N1CCN(c2nccc(N[C@@H]3CCCOC3)n2)CC1 ZINC000408404671 417159037 /nfs/dbraw/zinc/15/90/37/417159037.db2.gz PBYPVLLKTVYWQZ-CYBMUJFWSA-N 0 0 305.382 0.736 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O ZINC000526015801 417173403 /nfs/dbraw/zinc/17/34/03/417173403.db2.gz ZIOQAKTZXKCACR-NEPJUHHUSA-N 0 0 307.394 0.515 10 0 DCAERN CN(C)c1nccc(N2CCN(C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC000449918005 417186739 /nfs/dbraw/zinc/18/67/39/417186739.db2.gz GYCMSRWCGOTPTF-SNVBAGLBSA-N 0 0 311.336 0.846 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1nccn1-c1ccccc1 ZINC000526935164 417192561 /nfs/dbraw/zinc/19/25/61/417192561.db2.gz RXRCLBSWRXOWGR-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632672059 417222006 /nfs/dbraw/zinc/22/20/06/417222006.db2.gz ZJJHZZFAOLMJHS-IVZWLZJFSA-N 0 0 317.329 0.598 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)CC2 ZINC000527240619 417227132 /nfs/dbraw/zinc/22/71/32/417227132.db2.gz QELWEMLRTLYGJP-MFKMUULPSA-N 0 0 320.393 0.351 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cn2ccc(C)n2)CC1 ZINC000450790236 417267649 /nfs/dbraw/zinc/26/76/49/417267649.db2.gz XZWVWCXGIFPQSY-UHFFFAOYSA-N 0 0 308.382 0.287 10 0 DCAERN CCCOc1nccnc1N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000527933959 417287813 /nfs/dbraw/zinc/28/78/13/417287813.db2.gz JPEAPCONVXONEP-SNVBAGLBSA-N 0 0 300.384 0.393 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000632930866 417295282 /nfs/dbraw/zinc/29/52/82/417295282.db2.gz GBZDHNWESPUTMJ-FRRDWIJNSA-N 0 0 300.399 0.272 10 0 DCAERN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)CCO1 ZINC000569283763 417234620 /nfs/dbraw/zinc/23/46/20/417234620.db2.gz OHLWYPITZJSAMY-KBPBESRZSA-N 0 0 324.421 0.945 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(CC[C@H](C)O)CC2)cs1 ZINC000450548814 417235750 /nfs/dbraw/zinc/23/57/50/417235750.db2.gz AEJFHMHMQJUFEA-JTQLQIEISA-N 0 0 319.452 0.529 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@]2(C)CO)cn1 ZINC000527390981 417242571 /nfs/dbraw/zinc/24/25/71/417242571.db2.gz YCBIYNMHZNMLGA-HNNXBMFYSA-N 0 0 306.366 0.460 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1noc(C(F)(F)F)n1 ZINC000632786151 417262096 /nfs/dbraw/zinc/26/20/96/417262096.db2.gz DWAPVKQNWJOBDS-ZETCQYMHSA-N 0 0 306.244 0.716 10 0 DCAERN CCO[C@H](CC)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000569518218 417262352 /nfs/dbraw/zinc/26/23/52/417262352.db2.gz ZFKBXZBBMIXFBT-GFCCVEGCSA-N 0 0 306.428 0.589 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1noc(C(F)(F)F)n1 ZINC000632786150 417262334 /nfs/dbraw/zinc/26/23/34/417262334.db2.gz DWAPVKQNWJOBDS-SSDOTTSWSA-N 0 0 306.244 0.716 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2nnc(C(C)C)[nH]2)CC12COC2 ZINC000451129617 417301789 /nfs/dbraw/zinc/30/17/89/417301789.db2.gz DEIFQZRBVVVCAJ-LLVKDONJSA-N 0 0 308.382 0.940 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(CC)nc(C)n1 ZINC000569878536 417305412 /nfs/dbraw/zinc/30/54/12/417305412.db2.gz XFAJSWMLOOCWSA-NXEZZACHSA-N 0 0 308.382 1.216 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)NCC2CCC2)CC12COC2 ZINC000451135362 417306681 /nfs/dbraw/zinc/30/66/81/417306681.db2.gz MKCWQJBLRBEDSX-CYBMUJFWSA-N 0 0 310.394 0.414 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(CC)n1 ZINC000451251209 417323957 /nfs/dbraw/zinc/32/39/57/417323957.db2.gz YUILQMRTPORRBH-GHMZBOCLSA-N 0 0 321.377 0.830 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000570251013 417331646 /nfs/dbraw/zinc/33/16/46/417331646.db2.gz HYJDJLXOMPKUQG-GJZGRUSLSA-N 0 0 318.373 0.832 10 0 DCAERN COC(=O)c1n[nH]c2c1CN(C[C@H](O)CC(F)(F)F)CC2 ZINC000451742177 417390620 /nfs/dbraw/zinc/39/06/20/417390620.db2.gz FPGRQSQVPFBTSN-SSDOTTSWSA-N 0 0 307.272 0.868 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2nc(C)cc2C)C[C@H]1c1cn[nH]n1 ZINC000622169869 417410686 /nfs/dbraw/zinc/41/06/86/417410686.db2.gz APEWNSLMXABHET-WCQYABFASA-N 0 0 304.354 0.259 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)C(=O)c1cccc2ncnn21 ZINC000570666933 417378701 /nfs/dbraw/zinc/37/87/01/417378701.db2.gz OKAISHCNEKWCEV-GFCCVEGCSA-N 0 0 303.366 0.522 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452058971 417439515 /nfs/dbraw/zinc/43/95/15/417439515.db2.gz NYJHDAZYBYLVFP-NWDGAFQWSA-N 0 0 318.443 0.451 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C)CC(=O)OC)CC12COC2 ZINC000452251796 417461960 /nfs/dbraw/zinc/46/19/60/417461960.db2.gz CZZYNCLSIYRFHA-GHMZBOCLSA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cn(C)nc2C)CC12COC2 ZINC000452259922 417462268 /nfs/dbraw/zinc/46/22/68/417462268.db2.gz JWDLWUYTYXZVFW-LBPRGKRZSA-N 0 0 307.350 0.380 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@H](CO)[C@H]2CCOC2)n1 ZINC000573159484 417467686 /nfs/dbraw/zinc/46/76/86/417467686.db2.gz TZZYQVYMCOOFSK-QWRGUYRKSA-N 0 0 311.386 0.800 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000633647132 417470945 /nfs/dbraw/zinc/47/09/45/417470945.db2.gz DESVCVKMPHMBGQ-BBRMVZONSA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC1(CC(N)=O)CCCCC1 ZINC000633652438 417473378 /nfs/dbraw/zinc/47/33/78/417473378.db2.gz DHJOOPXTMJEODN-CYBMUJFWSA-N 0 0 309.410 0.939 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](F)[C@@H](F)C2)c1 ZINC000452692952 417497492 /nfs/dbraw/zinc/49/74/92/417497492.db2.gz SWXWJMXRCOJDHW-PHIMTYICSA-N 0 0 304.318 0.727 10 0 DCAERN COc1cccc2c1[C@H](C(=O)N1C[C@@H](CO)[C@H](CO)C1)CC2 ZINC000529687793 417485174 /nfs/dbraw/zinc/48/51/74/417485174.db2.gz GIDRFEUNDAWLTL-MELADBBJSA-N 0 0 305.374 0.784 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCCc1ncnn1C)C1CCCC1 ZINC000627903429 417529748 /nfs/dbraw/zinc/52/97/48/417529748.db2.gz IXNYCOOEZYMBLX-AWEZNQCLSA-N 0 0 307.398 0.559 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000529997951 417536216 /nfs/dbraw/zinc/53/62/16/417536216.db2.gz SZGCIEORRASWEK-CQSZACIVSA-N 0 0 301.346 0.408 10 0 DCAERN CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCO2)C(=O)NC ZINC000454099414 417546696 /nfs/dbraw/zinc/54/66/96/417546696.db2.gz NGCUFERSRZDRQP-LBPRGKRZSA-N 0 0 319.361 0.591 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N[C@@H](C)CC(N)=O)c2=O ZINC000439323288 287385972 /nfs/dbraw/zinc/38/59/72/287385972.db2.gz MNHXKKNNJAMUIP-QMMMGPOBSA-N 0 0 303.318 0.530 10 0 DCAERN COc1ncc(C)cc1NC(=O)CN1CCCC[C@H](O)C1=O ZINC000644379147 417557042 /nfs/dbraw/zinc/55/70/42/417557042.db2.gz MTXPPOQFDHVXTP-LBPRGKRZSA-N 0 0 307.350 0.711 10 0 DCAERN CCc1noc(COC2CN(C(=O)C[C@@](C)(O)C3CC3)C2)n1 ZINC000644220597 417500762 /nfs/dbraw/zinc/50/07/62/417500762.db2.gz OLKJSGGIANBWDD-OAHLLOKOSA-N 0 0 309.366 0.911 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H](O)[C@H]2CCCO2)cc1 ZINC000529770862 417503158 /nfs/dbraw/zinc/50/31/58/417503158.db2.gz PKIAFZLMWYEBMI-LSDHHAIUSA-N 0 0 306.362 0.939 10 0 DCAERN COC[C@](C)(O)CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000576068978 417578116 /nfs/dbraw/zinc/57/81/16/417578116.db2.gz CXLYQZZJHCHOTR-MWLCHTKSSA-N 0 0 324.303 0.720 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000454823554 417581949 /nfs/dbraw/zinc/58/19/49/417581949.db2.gz JBFYSOWISSWXQA-QJPTWQEYSA-N 0 0 300.403 0.855 10 0 DCAERN CO[C@](C)(CNC(=O)N(C)Cc1nnnn1C)c1ccccc1 ZINC000455339744 417599643 /nfs/dbraw/zinc/59/96/43/417599643.db2.gz BJKOZWRLRPSNMV-OAHLLOKOSA-N 0 0 318.381 0.913 10 0 DCAERN CC(=O)N1CC(C(=O)NCc2c(C(F)(F)F)cnn2C)C1 ZINC000628355076 417608536 /nfs/dbraw/zinc/60/85/36/417608536.db2.gz JIVFUHQAHGKSLA-UHFFFAOYSA-N 0 0 304.272 0.533 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2nccn2C)CC12COC2 ZINC000454524143 417566325 /nfs/dbraw/zinc/56/63/25/417566325.db2.gz HXXSDNUJCGDPBO-NSHDSACASA-N 0 0 322.365 0.141 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@](C)(COC)C2)C1 ZINC000454673671 417575818 /nfs/dbraw/zinc/57/58/18/417575818.db2.gz JSPTUTSPYKSMAS-DOMZBBRYSA-N 0 0 312.414 0.858 10 0 DCAERN O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440053719 287392965 /nfs/dbraw/zinc/39/29/65/287392965.db2.gz NOILFRFFRDRMGV-ZDUSSCGKSA-N 0 0 317.345 0.249 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)NC[C@H]1COCCO1 ZINC000531885549 417646029 /nfs/dbraw/zinc/64/60/29/417646029.db2.gz RTMPMQSUVHTBRN-ZDUSSCGKSA-N 0 0 302.334 0.477 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)NC[C@@H]1COCCO1 ZINC000531885548 417646492 /nfs/dbraw/zinc/64/64/92/417646492.db2.gz RTMPMQSUVHTBRN-CYBMUJFWSA-N 0 0 302.334 0.477 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCOC[C@@H]2CCCO2)[C@H](C)C1 ZINC000531921303 417649114 /nfs/dbraw/zinc/64/91/14/417649114.db2.gz VCFWHTMBQMKOMV-OCCSQVGLSA-N 0 0 313.398 0.444 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124480 417660310 /nfs/dbraw/zinc/66/03/10/417660310.db2.gz JBAAEYQSUDPGNG-NSHDSACASA-N 0 0 313.398 0.886 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC000532127596 417662509 /nfs/dbraw/zinc/66/25/09/417662509.db2.gz RGXSKJKSZZFOTL-ZDUSSCGKSA-N 0 0 315.377 0.956 10 0 DCAERN CC[C@H](NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C(=O)NC ZINC000457045909 417681306 /nfs/dbraw/zinc/68/13/06/417681306.db2.gz JTNCLWXVYDTMLJ-VIFPVBQESA-N 0 0 322.365 0.686 10 0 DCAERN CCOc1ccccc1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000457980415 417713499 /nfs/dbraw/zinc/71/34/99/417713499.db2.gz UKXSYNURFHACNI-ZDUSSCGKSA-N 0 0 319.365 0.537 10 0 DCAERN O=C(CCCOc1cccc(F)c1)NC[C@H](O)Cn1ccnn1 ZINC000458148230 417725788 /nfs/dbraw/zinc/72/57/88/417725788.db2.gz SZJWCFGSIYZNCO-ZDUSSCGKSA-N 0 0 322.340 0.754 10 0 DCAERN CCCOc1cccnc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458149407 417725877 /nfs/dbraw/zinc/72/58/77/417725877.db2.gz UYZMTMSZLGIYEE-LLVKDONJSA-N 0 0 305.338 0.253 10 0 DCAERN CC(C)c1ccc(C(=O)NC[C@H](O)Cn2ccnn2)c(O)c1 ZINC000458138707 417726227 /nfs/dbraw/zinc/72/62/27/417726227.db2.gz MJPSBYIQQNPBHU-LBPRGKRZSA-N 0 0 304.350 0.898 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000631297931 417847041 /nfs/dbraw/zinc/84/70/41/417847041.db2.gz RTUAZTIERGQVJT-KGLIPLIRSA-N 0 0 309.410 0.761 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCC(F)(F)C2)nn1 ZINC000650314530 418305147 /nfs/dbraw/zinc/30/51/47/418305147.db2.gz XOEYRENKQLATKU-GHMZBOCLSA-N 0 0 316.308 0.736 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2cnc(CC3CC3)nc2)nn1 ZINC000451527840 287467898 /nfs/dbraw/zinc/46/78/98/287467898.db2.gz AYNSSKZLLNZFBJ-UHFFFAOYSA-N 0 0 300.322 0.862 10 0 DCAERN CN(C)c1noc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000192756864 545929038 /nfs/dbraw/zinc/92/90/38/545929038.db2.gz YEKOBFRDXMWTIN-SNVBAGLBSA-N 0 0 300.384 0.287 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC000488131991 287546461 /nfs/dbraw/zinc/54/64/61/287546461.db2.gz HFMIMLZVPAHPSS-VHSXEESVSA-N 0 0 324.381 0.223 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](OC)C(C)C ZINC000488288727 287548503 /nfs/dbraw/zinc/54/85/03/287548503.db2.gz FADZMCAFENYYSG-GARJFASQSA-N 0 0 302.371 0.230 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)[C@H]3CCCS3)C2)n1 ZINC000299738724 229372915 /nfs/dbraw/zinc/37/29/15/229372915.db2.gz FPSJUIAOLMUXEH-NXEZZACHSA-N 0 0 309.395 0.436 10 0 DCAERN CCCC(=O)NCC(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000179823244 261113705 /nfs/dbraw/zinc/11/37/05/261113705.db2.gz OOOZSAMXETWZPW-UHFFFAOYSA-N 0 0 320.393 0.769 10 0 DCAERN CNC(=O)CC(=O)NCc1cccnc1OCC(F)(F)F ZINC000185623159 261120405 /nfs/dbraw/zinc/12/04/05/261120405.db2.gz ARNCMZGRWCYRLV-UHFFFAOYSA-N 0 0 305.256 0.775 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)C(=O)[C@H]1C)c1nnc2n1CCCC2 ZINC000187204676 261122733 /nfs/dbraw/zinc/12/27/33/261122733.db2.gz UKDKSGRFHWTKPC-WDEREUQCSA-N 0 0 320.397 0.548 10 0 DCAERN O=C(Nc1ccnc2ccnn21)c1cc2c(cn1)nc[nH]c2=O ZINC000187532780 261124130 /nfs/dbraw/zinc/12/41/30/261124130.db2.gz RGQHUFWVHDJPFC-UHFFFAOYSA-N 0 0 307.273 0.613 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000188584923 261130007 /nfs/dbraw/zinc/13/00/07/261130007.db2.gz VIXOVFXPKNGWEO-QWRGUYRKSA-N 0 0 303.428 0.708 10 0 DCAERN Cc1noc([C@H](C)N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189189412 261130811 /nfs/dbraw/zinc/13/08/11/261130811.db2.gz FUXGUTBGSXZOKJ-ZJUUUORDSA-N 0 0 306.374 0.341 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000188752455 261131020 /nfs/dbraw/zinc/13/10/20/261131020.db2.gz DODZFFRHIWKXMB-UTUOFQBUSA-N 0 0 306.428 0.888 10 0 DCAERN COc1ccc2[nH]c(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2c1 ZINC000189464179 261131353 /nfs/dbraw/zinc/13/13/53/261131353.db2.gz OSVIPKCIDLFEBZ-RISCZKNCSA-N 0 0 317.345 0.939 10 0 DCAERN COCCN1CCN(C(=O)NCCOCC(F)F)C[C@@H]1C ZINC000190273503 261134881 /nfs/dbraw/zinc/13/48/81/261134881.db2.gz KUHVDCWAJKMJBQ-NSHDSACASA-N 0 0 309.357 0.630 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@@H](CO)O1 ZINC000191866264 261138221 /nfs/dbraw/zinc/13/82/21/261138221.db2.gz JXFVXFKHOOVGLZ-MFKMUULPSA-N 0 0 303.318 0.958 10 0 DCAERN Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)sc1C ZINC000193002546 261140496 /nfs/dbraw/zinc/14/04/96/261140496.db2.gz CKVVHSWXZYCECW-NXEZZACHSA-N 0 0 324.406 0.859 10 0 DCAERN O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000194859725 261148898 /nfs/dbraw/zinc/14/88/98/261148898.db2.gz QDVSCNZDZLAJFW-HNNXBMFYSA-N 0 0 317.389 0.271 10 0 DCAERN COCc1ccc(C(=O)NCCS(=O)(=O)NC(C)C)o1 ZINC000195266307 261151585 /nfs/dbraw/zinc/15/15/85/261151585.db2.gz AFISRYQWXUESLF-UHFFFAOYSA-N 0 0 304.368 0.484 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC)c1C ZINC000266186141 261168233 /nfs/dbraw/zinc/16/82/33/261168233.db2.gz HBWRDULGFSEWTE-LLVKDONJSA-N 0 0 314.411 0.419 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1 ZINC000354545341 261235349 /nfs/dbraw/zinc/23/53/49/261235349.db2.gz NQDHEAAOUQPGFH-NSHDSACASA-N 0 0 303.405 0.742 10 0 DCAERN CCOCC(C)(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000355139759 261309472 /nfs/dbraw/zinc/30/94/72/261309472.db2.gz GEDAYPNSFSAGEL-UHFFFAOYSA-N 0 0 320.393 0.563 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000358674537 261690957 /nfs/dbraw/zinc/69/09/57/261690957.db2.gz ZRCWLFUSRCXEHL-ZJUUUORDSA-N 0 0 323.315 0.467 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)C1=O ZINC000358899297 261711925 /nfs/dbraw/zinc/71/19/25/261711925.db2.gz FXZJBYWRBODCKT-GXTWGEPZSA-N 0 0 317.389 0.930 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000360308138 261821164 /nfs/dbraw/zinc/82/11/64/261821164.db2.gz HGTWYBKDLJGPSF-LPEHRKFASA-N 0 0 320.336 0.994 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000360574877 261847353 /nfs/dbraw/zinc/84/73/53/261847353.db2.gz RIYXFIXUYBGSRE-VXGBXAGGSA-N 0 0 310.398 0.307 10 0 DCAERN C/C=C\C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OCC ZINC000361531483 261935954 /nfs/dbraw/zinc/93/59/54/261935954.db2.gz AFTGXEKPWDERCX-USEMIUTHSA-N 0 0 310.350 0.540 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)C2CN(CC(F)(F)F)C2)CC1 ZINC000361918024 261976895 /nfs/dbraw/zinc/97/68/95/261976895.db2.gz BVTNKAHYXGXHEF-UHFFFAOYSA-N 0 0 321.343 0.950 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N3CC(n4ccnn4)C3)nn2)cc1 ZINC000361920583 261977043 /nfs/dbraw/zinc/97/70/43/261977043.db2.gz AGZKQXZUHFNTEX-UHFFFAOYSA-N 0 0 309.333 0.864 10 0 DCAERN COC[C@@](C)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(F)(F)F ZINC000362203490 262008995 /nfs/dbraw/zinc/00/89/95/262008995.db2.gz KMMPMCLGFXFWTQ-SNVBAGLBSA-N 0 0 309.244 0.033 10 0 DCAERN COC[C@@](C)(NC(=O)c1ccc(C(N)=O)nc1)C(F)(F)F ZINC000362205841 262009921 /nfs/dbraw/zinc/00/99/21/262009921.db2.gz WPAQXADIIZSDIQ-LLVKDONJSA-N 0 0 305.256 0.878 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CCN(C)C(=O)C2)no1 ZINC000362313993 262021522 /nfs/dbraw/zinc/02/15/22/262021522.db2.gz MJWZSWGHIVVUIZ-SECBINFHSA-N 0 0 323.349 0.681 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)CCOCC(C)C ZINC000362459325 262037753 /nfs/dbraw/zinc/03/77/53/262037753.db2.gz VZILIQMJFHGSCR-ZIAGYGMSSA-N 0 0 303.399 0.986 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccn1 ZINC000362463233 262037901 /nfs/dbraw/zinc/03/79/01/262037901.db2.gz GJSDQMSYBUQTTB-NXEZZACHSA-N 0 0 308.338 0.659 10 0 DCAERN COC[C@](C)(NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)OC ZINC000362615256 262052629 /nfs/dbraw/zinc/05/26/29/262052629.db2.gz SBGSKUBWMKGWSU-ZBEGNZNMSA-N 0 0 322.361 0.499 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCC2(C(=O)OC)CC2)C1 ZINC000362770031 262070053 /nfs/dbraw/zinc/07/00/53/262070053.db2.gz PHUIIFOBARVEIG-JTQLQIEISA-N 0 0 312.370 0.043 10 0 DCAERN C[C@@]1(C(=O)Nc2nn[nH]n2)CCCN1C(=O)c1ccccc1 ZINC000363240574 262107620 /nfs/dbraw/zinc/10/76/20/262107620.db2.gz QBEOAJDQTIKLQU-AWEZNQCLSA-N 0 0 300.322 0.833 10 0 DCAERN Cc1cccc2ncc(CN3CCC[C@@]4(C3)NC(=O)NC4=O)n21 ZINC000363665691 262126481 /nfs/dbraw/zinc/12/64/81/262126481.db2.gz OYUNAEOAVNLPKA-INIZCTEOSA-N 0 0 313.361 0.817 10 0 DCAERN C[C@H]1CCOCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000363801126 262131386 /nfs/dbraw/zinc/13/13/86/262131386.db2.gz AQOYHKZFCCTJSZ-ZDUSSCGKSA-N 0 0 306.428 0.149 10 0 DCAERN CN(C)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000363845168 262134147 /nfs/dbraw/zinc/13/41/47/262134147.db2.gz AMOKATQAJIGFHR-CYBMUJFWSA-N 0 0 305.382 0.696 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000363907925 262136073 /nfs/dbraw/zinc/13/60/73/262136073.db2.gz DBYGVOCDTHCEOO-SNVBAGLBSA-N 0 0 306.366 0.485 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@H]2CCCCN2CCO)s1 ZINC000412378573 262187667 /nfs/dbraw/zinc/18/76/67/262187667.db2.gz UOTUFBMGDVVERC-LLVKDONJSA-N 0 0 311.407 0.922 10 0 DCAERN COCC(COC)N1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000412434257 262189209 /nfs/dbraw/zinc/18/92/09/262189209.db2.gz GWCJOKFVHIUDOX-UHFFFAOYSA-N 0 0 324.425 0.387 10 0 DCAERN CC(C)OCCS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000176996017 270951273 /nfs/dbraw/zinc/95/12/73/270951273.db2.gz WSRRWTULHJAHDE-KBPBESRZSA-N 0 0 320.455 0.394 10 0 DCAERN CC(C)C[C@@H](C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000184690439 270953005 /nfs/dbraw/zinc/95/30/05/270953005.db2.gz IVBNVZOEDONIQE-NEPJUHHUSA-N 0 0 318.439 0.478 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000358385569 271050830 /nfs/dbraw/zinc/05/08/30/271050830.db2.gz DRSNJEMRMIAEIF-NEPJUHHUSA-N 0 0 312.414 0.999 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)NC[C@H](CO)C1CC1 ZINC000359149658 271100799 /nfs/dbraw/zinc/10/07/99/271100799.db2.gz OVOOPVFFDOAPRC-GFCCVEGCSA-N 0 0 306.428 0.519 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)C[C@@H]1O ZINC000359393305 271113333 /nfs/dbraw/zinc/11/33/33/271113333.db2.gz WIFBFTIWZWLDRB-YPMHNXCESA-N 0 0 318.377 0.460 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000359612396 271131924 /nfs/dbraw/zinc/13/19/24/271131924.db2.gz ROTUXHCSHZXPME-HNNXBMFYSA-N 0 0 317.389 0.859 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(=O)[nH]c2)c1 ZINC000359627631 271136157 /nfs/dbraw/zinc/13/61/57/271136157.db2.gz YKIFZUNBLLPCJL-UHFFFAOYSA-N 0 0 307.331 0.948 10 0 DCAERN C[C@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC[C@@H](C)C2)CC1=O ZINC000363700987 271200576 /nfs/dbraw/zinc/20/05/76/271200576.db2.gz RWUGEPYJQJYQFX-XQHKEYJVSA-N 0 0 315.439 0.562 10 0 DCAERN CC[C@H](O)CCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000398553655 271218374 /nfs/dbraw/zinc/21/83/74/271218374.db2.gz HJUCSGBWBVEDCR-JTQLQIEISA-N 0 0 317.411 0.214 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2cccnc2)CC12COC2 ZINC000452264992 271912699 /nfs/dbraw/zinc/91/26/99/271912699.db2.gz PLSSHNBURXXRDR-ZDUSSCGKSA-N 0 0 304.346 0.662 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000453732925 271929788 /nfs/dbraw/zinc/92/97/88/271929788.db2.gz IOUDFMFMQJXNLA-JQWIXIFHSA-N 0 0 303.362 0.738 10 0 DCAERN CCOc1cccc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000459357417 271993036 /nfs/dbraw/zinc/99/30/36/271993036.db2.gz ZXQXJDPNVSMBCR-GFCCVEGCSA-N 0 0 305.338 0.859 10 0 DCAERN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@H](CO)[C@H](O)C1 ZINC000459681641 272002567 /nfs/dbraw/zinc/00/25/67/272002567.db2.gz QWCUTOVFJVTRMK-DYLAAIIWSA-N 0 0 317.744 0.978 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459808657 272010969 /nfs/dbraw/zinc/01/09/69/272010969.db2.gz HQYXNVGQGVFRPK-DYVFJYSZSA-N 0 0 321.421 0.906 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCO1 ZINC000459890929 272017086 /nfs/dbraw/zinc/01/70/86/272017086.db2.gz GQHRPQRGCPHDSS-SKDRFNHKSA-N 0 0 324.299 0.150 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCSCC2)C1 ZINC000459907633 272018574 /nfs/dbraw/zinc/01/85/74/272018574.db2.gz LWWMBWXHDYLXRB-NSHDSACASA-N 0 0 313.423 0.079 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000461267428 272026287 /nfs/dbraw/zinc/02/62/87/272026287.db2.gz CERXJMMSTGNLAI-KBUPBQIOSA-N 0 0 324.421 0.967 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000466498428 272026505 /nfs/dbraw/zinc/02/65/05/272026505.db2.gz CAXVTUJLJCGGAX-SDDRHHMPSA-N 0 0 321.443 0.381 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1CCCCO1 ZINC000487147043 272038863 /nfs/dbraw/zinc/03/88/63/272038863.db2.gz DTMSRDTZLVOORB-SDDRHHMPSA-N 0 0 314.382 0.518 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCCCS1 ZINC000487152926 272039115 /nfs/dbraw/zinc/03/91/15/272039115.db2.gz LECCZCVNQZEMRU-GARJFASQSA-N 0 0 316.423 0.845 10 0 DCAERN Cn1nnc(CNC(=O)Nc2ccc3ccc(=O)n(C)c3c2)n1 ZINC000489564164 272063910 /nfs/dbraw/zinc/06/39/10/272063910.db2.gz RKLXUUOHIDZIFA-UHFFFAOYSA-N 0 0 313.321 0.384 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC[C@H](C)OC ZINC000494883097 272233577 /nfs/dbraw/zinc/23/35/77/272233577.db2.gz NOGAJVQSXCTZHB-AXFHLTTASA-N 0 0 317.386 0.167 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccoc1 ZINC000495161722 272240099 /nfs/dbraw/zinc/24/00/99/272240099.db2.gz YBRBXCLPDOWSLE-ZJUUUORDSA-N 0 0 311.338 0.535 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)NC[C@H](C)N2CCCCC2=O)C1 ZINC000527257681 272608006 /nfs/dbraw/zinc/60/80/06/272608006.db2.gz HOFOPEPFJVGTGG-QWHCGFSZSA-N 0 0 309.410 0.762 10 0 DCAERN Cc1cc2ncc(C(=O)N(C)Cc3nnnn3C)c(C)n2n1 ZINC000531812204 272770603 /nfs/dbraw/zinc/77/06/03/272770603.db2.gz XNTUJCIGUSGDPX-UHFFFAOYSA-N 0 0 300.326 0.142 10 0 DCAERN C[C@@H](NC(=O)C(=O)N1CCOCC2(CC2)C1)C1CCOCC1 ZINC000520638844 287686775 /nfs/dbraw/zinc/68/67/75/287686775.db2.gz RYILJEVVGPZMMO-GFCCVEGCSA-N 0 0 310.394 0.557 10 0 DCAERN Cc1nc2n(n1)CCN(CC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000533482505 287790682 /nfs/dbraw/zinc/79/06/82/287790682.db2.gz JDRNIWOJPIJWRS-UHFFFAOYSA-N 0 0 315.333 0.770 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCC(=O)NCc2ccco2)C1 ZINC000534528901 287817129 /nfs/dbraw/zinc/81/71/29/287817129.db2.gz XJIXUDBTTVCFKV-OAHLLOKOSA-N 0 0 307.350 0.271 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000075032097 275761767 /nfs/dbraw/zinc/76/17/67/275761767.db2.gz VUBYILXANGIOKE-UHFFFAOYSA-N 0 0 303.318 0.816 10 0 DCAERN COc1cccc(COCC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000536522567 287855048 /nfs/dbraw/zinc/85/50/48/287855048.db2.gz LQFOUXNJQZTKKW-LBPRGKRZSA-N 0 0 307.350 0.481 10 0 DCAERN O=C1NCCN(C[C@@H](O)COC[C@@H]2CCCO2)c2ccccc21 ZINC000539097504 287888355 /nfs/dbraw/zinc/88/83/55/287888355.db2.gz YCIJJTMFHPJVHX-KGLIPLIRSA-N 0 0 320.389 0.793 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCNC(=O)[C@H]2c2ccccc2)C1 ZINC000245457894 277126275 /nfs/dbraw/zinc/12/62/75/277126275.db2.gz KDABWGFPACGNOH-UONOGXRCSA-N 0 0 303.362 0.017 10 0 DCAERN CC(C)(C)N1C[C@H](c2nc([C@H]3CN4CCN3CC4)no2)CC1=O ZINC000329701284 277164399 /nfs/dbraw/zinc/16/43/99/277164399.db2.gz HHZTUJJDQYFQAS-VXGBXAGGSA-N 0 0 319.409 0.856 10 0 DCAERN O=C(CN1CCc2ccccc21)N1CCN2CCOC[C@@H]2C1 ZINC000542684914 287944542 /nfs/dbraw/zinc/94/45/42/287944542.db2.gz JCUPYFRTMHKRBU-HNNXBMFYSA-N 0 0 301.390 0.592 10 0 DCAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543604827 287960831 /nfs/dbraw/zinc/96/08/31/287960831.db2.gz FKRISKGQPMTKPX-GJZGRUSLSA-N 0 0 323.437 0.567 10 0 DCAERN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCN(CCO)C1=O ZINC000545329514 287997000 /nfs/dbraw/zinc/99/70/00/287997000.db2.gz UWCMSNVCYQJGOP-NSHDSACASA-N 0 0 322.365 0.965 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc(C)cnc1N ZINC000342579456 277951218 /nfs/dbraw/zinc/95/12/18/277951218.db2.gz ZCFVXYSGCBXTLH-LLVKDONJSA-N 0 0 313.379 0.341 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000329710106 278021972 /nfs/dbraw/zinc/02/19/72/278021972.db2.gz NMGLDTRHVMOLMH-HOTGVXAUSA-N 0 0 323.437 0.711 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC3(CCOCC3)[C@H]2C)C1 ZINC000408055960 278031061 /nfs/dbraw/zinc/03/10/61/278031061.db2.gz YYIZCOFJNXRQKK-CXAGYDPISA-N 0 0 324.421 0.777 10 0 DCAERN CCc1ncc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000545891177 288004731 /nfs/dbraw/zinc/00/47/31/288004731.db2.gz GTYQZTTXPYEJEN-JTQLQIEISA-N 0 0 317.436 0.411 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000545894988 288005118 /nfs/dbraw/zinc/00/51/18/288005118.db2.gz VIAALGSDNKXBPC-MGPQQGTHSA-N 0 0 321.439 0.052 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C(C)(C)C1 ZINC000190406531 278042587 /nfs/dbraw/zinc/04/25/87/278042587.db2.gz XFUWBRQUVFMJRU-ZYHUDNBSSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000408152206 278061284 /nfs/dbraw/zinc/06/12/84/278061284.db2.gz XOVSGVSUVZOLMY-WCABBAIRSA-N 0 0 322.452 0.188 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000330438535 278063848 /nfs/dbraw/zinc/06/38/48/278063848.db2.gz SKARGCJPEVKPQD-JTQLQIEISA-N 0 0 301.412 0.281 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000329425161 278067750 /nfs/dbraw/zinc/06/77/50/278067750.db2.gz GRCDNEBNNWEOCW-ZNMIVQPWSA-N 0 0 317.389 0.973 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000353820197 278073761 /nfs/dbraw/zinc/07/37/61/278073761.db2.gz ADWKBISGNOXHLQ-YUELXQCFSA-N 0 0 305.378 0.670 10 0 DCAERN C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCN1CCCC1 ZINC000330063778 278080732 /nfs/dbraw/zinc/08/07/32/278080732.db2.gz BSWPZFFWDFYTKY-SEDUGSJDSA-N 0 0 308.469 0.253 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CCNC(=O)CC1)CC2 ZINC000181749210 278110065 /nfs/dbraw/zinc/11/00/65/278110065.db2.gz BNDHMSOHVITREK-LLVKDONJSA-N 0 0 320.397 0.248 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000546024871 288012782 /nfs/dbraw/zinc/01/27/82/288012782.db2.gz HYVYROVPPLHJCX-GRYCIOLGSA-N 0 0 324.468 0.661 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1=O ZINC000407986775 278351481 /nfs/dbraw/zinc/35/14/81/278351481.db2.gz UWXKFQMVOBPDGT-QWRGUYRKSA-N 0 0 324.425 0.742 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000547734183 288073859 /nfs/dbraw/zinc/07/38/59/288073859.db2.gz PRIBFEIESPYOAA-ZDUSSCGKSA-N 0 0 302.330 0.832 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1cccc3ncnn31)CCO2 ZINC000547764697 288076765 /nfs/dbraw/zinc/07/67/65/288076765.db2.gz QJRZDQGFLZNOKG-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN Cn1cncc1CCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000547804299 288081044 /nfs/dbraw/zinc/08/10/44/288081044.db2.gz DUMHRKPXQKCOBF-UHFFFAOYSA-N 0 0 303.366 0.913 10 0 DCAERN O=C1N=NC2CN(Cc3cnc(N4CCOCC4)s3)CCN12 ZINC000547867368 288086168 /nfs/dbraw/zinc/08/61/68/288086168.db2.gz HAFOFUUJLJBSQD-UHFFFAOYSA-N 0 0 322.394 0.293 10 0 DCAERN Cc1cn2c(n1)CN(C(=O)[C@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000371737425 279002996 /nfs/dbraw/zinc/00/29/96/279002996.db2.gz UHCTVCNVROQUMU-NSHDSACASA-N 0 0 314.349 0.310 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3ncccc3O)CC2)[nH]1 ZINC000547976345 288097496 /nfs/dbraw/zinc/09/74/96/288097496.db2.gz DJRRVFXMCQVVJC-UHFFFAOYSA-N 0 0 302.338 0.172 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126735666 279125109 /nfs/dbraw/zinc/12/51/09/279125109.db2.gz UFZVXIOSHRYPHE-CHWSQXEVSA-N 0 0 319.471 0.791 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000152596690 288108192 /nfs/dbraw/zinc/10/81/92/288108192.db2.gz FPHXJNUOUMCPDR-PWSUYJOCSA-N 0 0 316.361 0.452 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnc2n1CCC2 ZINC000548122478 288113895 /nfs/dbraw/zinc/11/38/95/288113895.db2.gz SIRYUSQLHLUXLC-NXEZZACHSA-N 0 0 312.395 0.152 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](OC)C3)CCN2C1=O ZINC000376997108 279250300 /nfs/dbraw/zinc/25/03/00/279250300.db2.gz KHDKDHNBSJQSIM-TUAOUCFPSA-N 0 0 324.381 0.232 10 0 DCAERN CC(C)N(CC(F)F)S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408354045 279413641 /nfs/dbraw/zinc/41/36/41/279413641.db2.gz HMCVQCHHPHHOKI-UHFFFAOYSA-N 0 0 319.395 0.869 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccccc1CO ZINC000548717348 288170104 /nfs/dbraw/zinc/17/01/04/288170104.db2.gz ANWNCRMYNPXHAZ-QGZVFWFLSA-N 0 0 316.357 0.408 10 0 DCAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)CCO1 ZINC000548720689 288170606 /nfs/dbraw/zinc/17/06/06/288170606.db2.gz INLRZEGUZGKVLL-KBPBESRZSA-N 0 0 312.410 0.945 10 0 DCAERN C[S@@](=O)C[C@@H](NC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000548719485 288170612 /nfs/dbraw/zinc/17/06/12/288170612.db2.gz QKPPIMHIIQFIJO-MCMMXHMISA-N 0 0 324.402 0.081 10 0 DCAERN Cn1cccc1C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000548775390 288175664 /nfs/dbraw/zinc/17/56/64/288175664.db2.gz RPMFQYFRHYQQCX-SECBINFHSA-N 0 0 303.284 0.961 10 0 DCAERN Cn1cc(OCC(=O)N2CCC(C)(C)S(=O)(=O)CC2)cn1 ZINC000548884147 288184424 /nfs/dbraw/zinc/18/44/24/288184424.db2.gz VGOJPQSHGJQFAE-UHFFFAOYSA-N 0 0 315.395 0.225 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CN2CCN(C)C(=O)C2)C[C@]12CCCO2 ZINC000329338897 280041526 /nfs/dbraw/zinc/04/15/26/280041526.db2.gz QRUFSMFUMNJPGZ-JKSUJKDBSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1nnc(N2CCO[C@H](C(N)=O)C2)n1Cc1ccccc1 ZINC000549156027 288193563 /nfs/dbraw/zinc/19/35/63/288193563.db2.gz UYYMMYJGLKZROF-ZDUSSCGKSA-N 0 0 301.350 0.325 10 0 DCAERN CCOCCCn1c(CC)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000549377780 288197507 /nfs/dbraw/zinc/19/75/07/288197507.db2.gz ORPBFKXFZHHLOC-AWEZNQCLSA-N 0 0 323.441 0.788 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@H](C)N1CCCCC1=O ZINC000188897046 280359226 /nfs/dbraw/zinc/35/92/26/280359226.db2.gz IJENHCOFCPYXGH-WFASDCNBSA-N 0 0 309.410 0.761 10 0 DCAERN CC(C)[C@H]1N(C(=O)CS(=O)(=O)C2CC2)C[C@]12CCCO2 ZINC000333084251 280449567 /nfs/dbraw/zinc/44/95/67/280449567.db2.gz MRSOCFKBZTWWKT-ZIAGYGMSSA-N 0 0 301.408 0.980 10 0 DCAERN O=C(CN1CCCNC1=O)NCc1ccnc(OC(F)F)c1 ZINC000551783894 288235444 /nfs/dbraw/zinc/23/54/44/288235444.db2.gz BXFNDULMOBAHDF-UHFFFAOYSA-N 0 0 314.292 0.715 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC(C)(C)O1 ZINC000194476682 288242562 /nfs/dbraw/zinc/24/25/62/288242562.db2.gz HWOGQDHJJMHZRL-SNVBAGLBSA-N 0 0 312.391 0.974 10 0 DCAERN C[C@@H]1CN(c2ncc(Br)cn2)CCS1(=O)=O ZINC000150855057 288276953 /nfs/dbraw/zinc/27/69/53/288276953.db2.gz CDWQGUHNQYTZAV-SSDOTTSWSA-N 0 0 306.185 0.862 10 0 DCAERN Cc1cc(CCNC(=O)N2CCN(C(=O)C3CC3)CC2)on1 ZINC000554306879 288317591 /nfs/dbraw/zinc/31/75/91/288317591.db2.gz ULGUJIXDBOVODR-UHFFFAOYSA-N 0 0 306.366 0.789 10 0 DCAERN CCN(CCOCCO)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000554588759 288331433 /nfs/dbraw/zinc/33/14/33/288331433.db2.gz CNMUEZDOPVDVTF-UHFFFAOYSA-N 0 0 320.349 0.130 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ncn(C)n1 ZINC000554733505 288336623 /nfs/dbraw/zinc/33/66/23/288336623.db2.gz HKBZGEIBCILNJX-ONGXEEELSA-N 0 0 303.370 0.986 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)N(CCO)C1CCOCC1 ZINC000555217788 288346108 /nfs/dbraw/zinc/34/61/08/288346108.db2.gz TUCGEEWOJQKRNZ-CQSZACIVSA-N 0 0 322.409 0.980 10 0 DCAERN CN(C(=O)Cn1c2ccccc2[nH]c1=O)C1(C(N)=O)CCCC1 ZINC000182415864 281751437 /nfs/dbraw/zinc/75/14/37/281751437.db2.gz PKTVQPCURYEAEI-UHFFFAOYSA-N 0 0 316.361 0.586 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC(=O)N1 ZINC000408199093 288454386 /nfs/dbraw/zinc/45/43/86/288454386.db2.gz YRBNACCCIRSTQD-HONMWMINSA-N 0 0 315.373 0.340 10 0 DCAERN C[C@H](CNS(=O)(=O)N(C)[C@@H](C)C1CC1)N1CCCCC1=O ZINC000558683124 288455642 /nfs/dbraw/zinc/45/56/42/288455642.db2.gz HFRSELNVCVGRJC-NEPJUHHUSA-N 0 0 317.455 0.952 10 0 DCAERN CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)N1CCC1 ZINC000560470611 288504981 /nfs/dbraw/zinc/50/49/81/288504981.db2.gz VHFUGZUAJHSCMN-UHFFFAOYSA-N 0 0 312.317 0.821 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCC(=O)c1cccs1 ZINC000561964931 288554304 /nfs/dbraw/zinc/55/43/04/288554304.db2.gz XYUOUWHHVJIBCA-GFCCVEGCSA-N 0 0 323.418 0.063 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000562411072 288573164 /nfs/dbraw/zinc/57/31/64/288573164.db2.gz ZBKGDRVOWHQMTO-GFCCVEGCSA-N 0 0 320.397 0.923 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CN2C(=O)CN(C3CCC3)C2=O)C1 ZINC000564519910 288747844 /nfs/dbraw/zinc/74/78/44/288747844.db2.gz QNFJSHZOQSYOKS-JTQLQIEISA-N 0 0 315.395 0.085 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408289141 288766640 /nfs/dbraw/zinc/76/66/40/288766640.db2.gz CXNMSVBOKXRHQA-NXEZZACHSA-N 0 0 300.384 0.178 10 0 DCAERN CN(C(=O)N1CCO[C@H](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328879097 288825069 /nfs/dbraw/zinc/82/50/69/288825069.db2.gz LGFAIWHVNGARNR-RYUDHWBXSA-N 0 0 302.396 0.336 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCOC2(C1)CCCCCC2 ZINC000408188937 289229290 /nfs/dbraw/zinc/22/92/90/289229290.db2.gz VDTMCCZKHRAQLH-UHFFFAOYSA-N 0 0 318.439 0.830 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000154868862 289746493 /nfs/dbraw/zinc/74/64/93/289746493.db2.gz FOOYJCVJTQSMDT-GHMZBOCLSA-N 0 0 306.428 0.588 10 0 DCAERN CN1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000333294333 290107262 /nfs/dbraw/zinc/10/72/62/290107262.db2.gz KZVDJLWIZNRDTL-LSDHHAIUSA-N 0 0 323.437 0.614 10 0 DCAERN C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000189136327 290287521 /nfs/dbraw/zinc/28/75/21/290287521.db2.gz IMXSDROBYTWUPI-VXGBXAGGSA-N 0 0 302.386 0.662 10 0 DCAERN CNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986607 290434595 /nfs/dbraw/zinc/43/45/95/290434595.db2.gz ZSZPHZATEMJAPJ-WFASDCNBSA-N 0 0 303.362 0.458 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000104362665 290563110 /nfs/dbraw/zinc/56/31/10/290563110.db2.gz SFHRNCJYAIQXFS-ZDUSSCGKSA-N 0 0 303.362 0.739 10 0 DCAERN CO[C@@H]([C@@H](C)NC(=O)[C@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000456584070 293559508 /nfs/dbraw/zinc/55/95/08/293559508.db2.gz UXQBDVWFMJNZRL-DIOULYMOSA-N 0 0 308.378 0.529 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCCO2)[C@@H](C)CO1 ZINC000408235636 297043319 /nfs/dbraw/zinc/04/33/19/297043319.db2.gz KUZPNDWMMKCJNU-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000330101201 297052898 /nfs/dbraw/zinc/05/28/98/297052898.db2.gz FHXTVYBWFQOJSK-WZRBSPASSA-N 0 0 304.412 0.451 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCSC[C@@H]2CCO)[C@@H](C)CO1 ZINC000408059086 297053171 /nfs/dbraw/zinc/05/31/71/297053171.db2.gz FZGUQVQDRBTDEF-TUAOUCFPSA-N 0 0 324.468 0.140 10 0 DCAERN Cn1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c2ccccc21 ZINC000176443279 294219626 /nfs/dbraw/zinc/21/96/26/294219626.db2.gz SOFJXGDNWFWVIR-CYBMUJFWSA-N 0 0 317.389 0.601 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000375215551 294288219 /nfs/dbraw/zinc/28/82/19/294288219.db2.gz NUEMAEHHHKHNGD-RQJABVFESA-N 0 0 321.439 0.867 10 0 DCAERN COc1ccc(Br)cc1CC(=O)NCCC(N)=O ZINC000175438212 295076204 /nfs/dbraw/zinc/07/62/04/295076204.db2.gz VRPQGAMVPMWCKB-UHFFFAOYSA-N 0 0 315.167 0.992 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Br)c1 ZINC000091780280 295120760 /nfs/dbraw/zinc/12/07/60/295120760.db2.gz STXKFYJXVJENGT-JTQLQIEISA-N 0 0 313.151 0.775 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000182116024 295158957 /nfs/dbraw/zinc/15/89/57/295158957.db2.gz MPJJCFOFQKERDA-SECBINFHSA-N 0 0 318.251 0.737 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC(=O)N1 ZINC000408442665 297324501 /nfs/dbraw/zinc/32/45/01/297324501.db2.gz MJAUXVRAYXUHOM-GRYCIOLGSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)O1 ZINC000407967163 297386471 /nfs/dbraw/zinc/38/64/71/297386471.db2.gz PAUAULUQJOTMLQ-OBPIAQAESA-N 0 0 318.439 0.777 10 0 DCAERN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408427104 297704944 /nfs/dbraw/zinc/70/49/44/297704944.db2.gz MMNSNKUGXXHCST-MIEFMEGQSA-N 0 0 301.412 0.204 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000364761823 297967829 /nfs/dbraw/zinc/96/78/29/297967829.db2.gz WJNCIESVEVKBMG-NEPJUHHUSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1C ZINC000408051822 300274675 /nfs/dbraw/zinc/27/46/75/300274675.db2.gz MAXKFECMYJHPFD-QWRGUYRKSA-N 0 0 309.453 0.871 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000133633488 300282660 /nfs/dbraw/zinc/28/26/60/300282660.db2.gz QMEROECNRDXBGS-RYUDHWBXSA-N 0 0 304.412 0.595 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)[C@@H]1C(N)=O ZINC000298618086 300595098 /nfs/dbraw/zinc/59/50/98/300595098.db2.gz OXLWXPYNJSCOQY-JYILRKAJSA-N 0 0 320.345 0.316 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H]1C(N)=O ZINC000285305994 300596668 /nfs/dbraw/zinc/59/66/68/300596668.db2.gz JTGCBKQVNFCTAE-RNCFNFMXSA-N 0 0 302.334 0.288 10 0 DCAERN C[C@]12CCCN1C(=O)N(CC1(CS(C)(=O)=O)CC1)C2=O ZINC000329480510 300868474 /nfs/dbraw/zinc/86/84/74/300868474.db2.gz QVYPIDAZRDIBKJ-GFCCVEGCSA-N 0 0 300.380 0.628 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cccc1S(N)(=O)=O ZINC000124108792 300932790 /nfs/dbraw/zinc/93/27/90/300932790.db2.gz KNNFEQMCCZIRNB-AOOOYVTPSA-N 0 0 312.391 0.892 10 0 DCAERN Cc1c([C@@H]2[C@H](C(=O)N(C)[C@@H]3CCOC3)CC(=O)N2C)cnn1C ZINC000329801324 300999394 /nfs/dbraw/zinc/99/93/94/300999394.db2.gz JLCSBLXBCZGPGZ-JMSVASOKSA-N 0 0 320.393 0.495 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000408456191 302291860 /nfs/dbraw/zinc/29/18/60/302291860.db2.gz GPWONBUERCBYJZ-MNOVXSKESA-N 0 0 318.420 0.586 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc2c1nnn2C ZINC000283086245 302675186 /nfs/dbraw/zinc/67/51/86/302675186.db2.gz WCQXYDLTDDGNBC-JTQLQIEISA-N 0 0 312.337 0.528 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)c2ncncc2Cl)cn1 ZINC000181359034 302937300 /nfs/dbraw/zinc/93/73/00/302937300.db2.gz SVTMMTLRHAEXDS-LLVKDONJSA-N 0 0 306.757 0.650 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(=O)n(C)n1 ZINC000408242566 302975110 /nfs/dbraw/zinc/97/51/10/302975110.db2.gz VURWWZNTTSMSPT-ZDUSSCGKSA-N 0 0 302.334 0.333 10 0 DCAERN Cn1cnc2c1nccc2C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000287191851 303023742 /nfs/dbraw/zinc/02/37/42/303023742.db2.gz UJEWGWQUILIDSG-QWHCGFSZSA-N 0 0 315.377 0.513 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333213163 303231668 /nfs/dbraw/zinc/23/16/68/303231668.db2.gz UYWRVKXQKUUIHR-BLFANLJRSA-N 0 0 302.396 0.867 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000247062943 303306809 /nfs/dbraw/zinc/30/68/09/303306809.db2.gz VKKQWUZYTVZYSB-FOGDFJRCSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000092421369 303308236 /nfs/dbraw/zinc/30/82/36/303308236.db2.gz CJGFNGOBPKVMEQ-LBPRGKRZSA-N 0 0 311.769 0.142 10 0 DCAERN CC(C)(CNC(=O)[C@H]1C[C@@]12CCOC2)N1CCS(=O)CC1 ZINC000332903061 332901338 /nfs/dbraw/zinc/90/13/38/332901338.db2.gz PWSGUXODGCGSEB-IUODEOHRSA-N 0 0 314.451 0.372 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189025400 333061069 /nfs/dbraw/zinc/06/10/69/333061069.db2.gz URHRNMKYSPMLJB-WDEREUQCSA-N 0 0 302.338 0.943 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cc1cn(Cc2cccnc2)nn1 ZINC000189088242 333062901 /nfs/dbraw/zinc/06/29/01/333062901.db2.gz RKKRRLJMYJYAGE-GFCCVEGCSA-N 0 0 300.366 0.432 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)cc1 ZINC000387894906 333183543 /nfs/dbraw/zinc/18/35/43/333183543.db2.gz IKWVASUVDKVICQ-GFCCVEGCSA-N 0 0 312.391 0.438 10 0 DCAERN CCc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1O ZINC000583604614 335772086 /nfs/dbraw/zinc/77/20/86/335772086.db2.gz WICMHCLPXIZOGJ-INIZCTEOSA-N 0 0 317.345 0.769 10 0 DCAERN CCN1CN(C(=O)CCn2cnc3ccccc3c2=O)CC1=O ZINC000190518343 336264640 /nfs/dbraw/zinc/26/46/40/336264640.db2.gz APTPFEQAPVHFSX-UHFFFAOYSA-N 0 0 314.345 0.435 10 0 DCAERN O=C(NCC1CCSCC1)C(=O)N1CCN(C2CC2)CC1 ZINC000582980971 337222518 /nfs/dbraw/zinc/22/25/18/337222518.db2.gz QMHNVQPBUTZATF-UHFFFAOYSA-N 0 0 311.451 0.552 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@H]2NCCS(=O)(=O)[C@H]2CC1 ZINC000238113313 340528268 /nfs/dbraw/zinc/52/82/68/340528268.db2.gz MHOOPRKAHUGKAY-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000172392756 341798316 /nfs/dbraw/zinc/79/83/16/341798316.db2.gz PXMFCZUDURNIAN-UHFFFAOYSA-N 0 0 314.411 0.061 10 0 DCAERN CO[C@@](C)(CNC(=O)Cn1cnc2c(cnn2C)c1=O)C1CC1 ZINC000575918519 341814490 /nfs/dbraw/zinc/81/44/90/341814490.db2.gz PQHKBDYNMZJDHU-HNNXBMFYSA-N 0 0 319.365 0.061 10 0 DCAERN CCNC(=O)C1(CNC(=O)c2cccc3ncnn32)CCC1 ZINC000576767377 341862433 /nfs/dbraw/zinc/86/24/33/341862433.db2.gz XAKOEGZBGHKNSX-UHFFFAOYSA-N 0 0 301.350 0.766 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000577070403 341883475 /nfs/dbraw/zinc/88/34/75/341883475.db2.gz NUDLCULYMIXLEP-AWEZNQCLSA-N 0 0 321.421 0.368 10 0 DCAERN Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c(F)cc1F ZINC000177605529 341921931 /nfs/dbraw/zinc/92/19/31/341921931.db2.gz PNGXNTWPOBIFBS-UHFFFAOYSA-N 0 0 309.272 0.923 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)NC[C@@]1(CCO)CCOC1 ZINC000177789756 341938043 /nfs/dbraw/zinc/93/80/43/341938043.db2.gz WLNLXIWWCXKSJC-MRXNPFEDSA-N 0 0 318.377 0.923 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156769984 520505330 /nfs/dbraw/zinc/50/53/30/520505330.db2.gz ZBZGHTONCXDAEG-SECBINFHSA-N 0 0 303.302 0.337 10 0 DCAERN C[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)CCN1CCO ZINC000187659524 533911118 /nfs/dbraw/zinc/91/11/18/533911118.db2.gz MDSRGQPUVVBOEB-ZDUSSCGKSA-N 0 0 320.393 0.333 10 0 DCAERN CC(C)(C)C(=O)NCC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366513105 518573016 /nfs/dbraw/zinc/57/30/16/518573016.db2.gz GPGKRZADCIADLE-INIZCTEOSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C)N1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000155747294 534441356 /nfs/dbraw/zinc/44/13/56/534441356.db2.gz KBONEVALZKXYJP-BETUJISGSA-N 0 0 314.389 0.948 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)C1 ZINC000191495014 519648135 /nfs/dbraw/zinc/64/81/35/519648135.db2.gz KRASVJRFNMRRKJ-AWEZNQCLSA-N 0 0 305.309 0.666 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000190471087 519648670 /nfs/dbraw/zinc/64/86/70/519648670.db2.gz SCZRWSAETZCVKP-UHFFFAOYSA-N 0 0 317.267 0.983 10 0 DCAERN CC(C)N1CC[C@@H](N2CCO[C@@](C)(c3cnn(C)c3)C2)C1=O ZINC000159312427 519686711 /nfs/dbraw/zinc/68/67/11/519686711.db2.gz PHDKYLOCBJDODT-GDBMZVCRSA-N 0 0 306.410 0.977 10 0 DCAERN CCCCNC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189952738 520635355 /nfs/dbraw/zinc/63/53/55/520635355.db2.gz LNUFLFXWFDKZCZ-GFCCVEGCSA-N 0 0 314.411 0.701 10 0 DCAERN Cc1ccc2ncc(C(=O)NCC3(CCO)CC3)c(=O)n2c1 ZINC000187971123 534511387 /nfs/dbraw/zinc/51/13/87/534511387.db2.gz VXXDVXXSBKKTPD-UHFFFAOYSA-N 0 0 301.346 0.895 10 0 DCAERN NC(=O)c1coc(CNC(=O)N[C@H](CO)c2ccccc2)c1 ZINC000187992515 534518013 /nfs/dbraw/zinc/51/80/13/534518013.db2.gz PPOHUASJZNNUGK-CYBMUJFWSA-N 0 0 303.318 0.911 10 0 DCAERN CCN(CCO)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185660254 521087449 /nfs/dbraw/zinc/08/74/49/521087449.db2.gz DIYSLHMUCQMUSJ-UHFFFAOYSA-N 0 0 309.370 0.563 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000170271040 521198724 /nfs/dbraw/zinc/19/87/24/521198724.db2.gz AEARTKHTVPEZHB-OAHLLOKOSA-N 0 0 324.402 0.986 10 0 DCAERN CCSc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccn1 ZINC000150733328 521733839 /nfs/dbraw/zinc/73/38/39/521733839.db2.gz SWIZLFABAFWGLW-UHFFFAOYSA-N 0 0 320.374 0.843 10 0 DCAERN CNC(=O)c1ccc(NC(=O)CNC(=O)c2cccnc2)cc1 ZINC000154878261 521834685 /nfs/dbraw/zinc/83/46/85/521834685.db2.gz CULAVXDYURVOON-UHFFFAOYSA-N 0 0 312.329 0.810 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000158849885 522049080 /nfs/dbraw/zinc/04/90/80/522049080.db2.gz SWNLYILBQQSPMA-CYBMUJFWSA-N 0 0 315.391 0.910 10 0 DCAERN CC[C@@H](C)NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189952958 522176758 /nfs/dbraw/zinc/17/67/58/522176758.db2.gz VPTUMNFYLBINIC-ZYHUDNBSSA-N 0 0 314.411 0.700 10 0 DCAERN CNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188970893 522200306 /nfs/dbraw/zinc/20/03/06/522200306.db2.gz LDUXCTXLZZJJHS-NXEZZACHSA-N 0 0 318.345 0.734 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](OC)C2)cn1 ZINC000191307176 522558988 /nfs/dbraw/zinc/55/89/88/522558988.db2.gz WTTHVXBSHAIOSW-JQWIXIFHSA-N 0 0 306.366 0.861 10 0 DCAERN CN(CC1CC(O)C1)S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000190611432 522611586 /nfs/dbraw/zinc/61/15/86/522611586.db2.gz KNDMPRWMTFJZCG-UHFFFAOYSA-N 0 0 309.338 0.540 10 0 DCAERN CNc1snc(C)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116833693 522726040 /nfs/dbraw/zinc/72/60/40/522726040.db2.gz QHXIIFQNVNWEMK-MRVPVSSYSA-N 0 0 318.424 0.257 10 0 DCAERN COC[C@H](O)CCNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000130356554 522780227 /nfs/dbraw/zinc/78/02/27/522780227.db2.gz CHYSXDYVIVHHES-MRVPVSSYSA-N 0 0 311.791 0.058 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000189452223 522996479 /nfs/dbraw/zinc/99/64/79/522996479.db2.gz MRNMWFSLRFLWTE-OAHLLOKOSA-N 0 0 319.405 0.849 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187988432 523045550 /nfs/dbraw/zinc/04/55/50/523045550.db2.gz KRRXSXNSNIFASP-UHFFFAOYSA-N 0 0 320.349 0.221 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(=O)[nH]c1 ZINC000155289838 523221442 /nfs/dbraw/zinc/22/14/42/523221442.db2.gz VYKMDTSGRDEOCY-JTQLQIEISA-N 0 0 303.322 0.790 10 0 DCAERN CCn1cc(C(=O)C(=O)NC[C@@H](O)c2ccccc2OC)cn1 ZINC000130733546 523320855 /nfs/dbraw/zinc/32/08/55/523320855.db2.gz PJPDMDXNUKXDKM-CYBMUJFWSA-N 0 0 317.345 0.944 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)CCc2ccnn2C)CC1 ZINC000127724956 523324735 /nfs/dbraw/zinc/32/47/35/523324735.db2.gz NKSSQYLVRHMVSO-ZDUSSCGKSA-N 0 0 322.409 0.449 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](OC)C2)ccc1=O ZINC000191301534 523405293 /nfs/dbraw/zinc/40/52/93/523405293.db2.gz YFRNXCWYGXETPE-DGCLKSJQSA-N 0 0 321.377 0.690 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000163284169 523540317 /nfs/dbraw/zinc/54/03/17/523540317.db2.gz VAUJMTASCQCKOW-ZYHUDNBSSA-N 0 0 324.402 0.959 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)Nc1nncs1 ZINC000191179755 523810114 /nfs/dbraw/zinc/81/01/14/523810114.db2.gz PJNWSXNUXFGLHO-KKZNHRDASA-N 0 0 310.379 0.750 10 0 DCAERN CO[C@H](C)CNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000190640836 523883247 /nfs/dbraw/zinc/88/32/47/523883247.db2.gz QISFLZNMYHDUBL-VXGBXAGGSA-N 0 0 323.397 0.558 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCCc2ccc(Cl)nc2)C1 ZINC000158967225 523949004 /nfs/dbraw/zinc/94/90/04/523949004.db2.gz KBDXPBCRGBSZCT-GFCCVEGCSA-N 0 0 312.801 0.907 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000156961411 523950002 /nfs/dbraw/zinc/95/00/02/523950002.db2.gz QPMMRGGOAAKDFF-NSHDSACASA-N 0 0 321.381 0.709 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCN2CCOC[C@H]2C)C1 ZINC000249512894 524020833 /nfs/dbraw/zinc/02/08/33/524020833.db2.gz INJUKTOCNRQAPU-KWCYVHTRSA-N 0 0 310.398 0.861 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000166729339 524082155 /nfs/dbraw/zinc/08/21/55/524082155.db2.gz LNFQZGDSGBCRHI-ZDUSSCGKSA-N 0 0 314.345 0.843 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCO1 ZINC000183506300 524084313 /nfs/dbraw/zinc/08/43/13/524084313.db2.gz YUUKWXPGZRPWGV-LBPRGKRZSA-N 0 0 316.317 0.324 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000364221455 524262582 /nfs/dbraw/zinc/26/25/82/524262582.db2.gz XCCIRENMGNULKD-VXGBXAGGSA-N 0 0 313.427 0.318 10 0 DCAERN COc1ccc(F)cc1CNC(=O)CN1CCCS1(=O)=O ZINC000189345755 524310494 /nfs/dbraw/zinc/31/04/94/524310494.db2.gz LLFITHYFMROASF-UHFFFAOYSA-N 0 0 316.354 0.486 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000156188868 524329515 /nfs/dbraw/zinc/32/95/15/524329515.db2.gz TYXRUDPQGBXYTQ-WCBMZHEXSA-N 0 0 305.338 0.781 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000247336832 524571220 /nfs/dbraw/zinc/57/12/20/524571220.db2.gz YIKLNLLBFGPZBT-AGIUHOORSA-N 0 0 307.398 0.762 10 0 DCAERN COc1ccccc1N1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC000156785575 524575552 /nfs/dbraw/zinc/57/55/52/524575552.db2.gz XUXAMSISJJBJPL-NSHDSACASA-N 0 0 306.366 0.449 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2ccncn2)C[C@H]1N1CCOCC1 ZINC000191267455 524773148 /nfs/dbraw/zinc/77/31/48/524773148.db2.gz BHNBXNSLXZZEQX-UKRRQHHQSA-N 0 0 304.394 0.588 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)n1 ZINC000267946909 524840906 /nfs/dbraw/zinc/84/09/06/524840906.db2.gz FLDBVRNVSOOZBE-HNNXBMFYSA-N 0 0 306.366 0.703 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)n1 ZINC000172998372 534817099 /nfs/dbraw/zinc/81/70/99/534817099.db2.gz UOIHNBLDCRZRGO-UWVGGRQHSA-N 0 0 305.425 0.895 10 0 DCAERN Cc1cc(N2CCC(NC(=O)N3CC(CO)C3)CC2)nc(C)n1 ZINC000189471370 525055659 /nfs/dbraw/zinc/05/56/59/525055659.db2.gz DOGHLESGBDQIEG-UHFFFAOYSA-N 0 0 319.409 0.696 10 0 DCAERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ncnn1C)c1ccccc1 ZINC000191080453 525162737 /nfs/dbraw/zinc/16/27/37/525162737.db2.gz SRGCKQSWKVJNGY-QWRGUYRKSA-N 0 0 322.390 0.855 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000267803002 525212590 /nfs/dbraw/zinc/21/25/90/525212590.db2.gz KPMMVKOVOLDJKI-VIFPVBQESA-N 0 0 318.786 0.890 10 0 DCAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@H](C)COC[C@H]1C ZINC000130477775 525447116 /nfs/dbraw/zinc/44/71/16/525447116.db2.gz YXCJKQJIGGVQNQ-NXEZZACHSA-N 0 0 304.350 0.509 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000153681947 525572902 /nfs/dbraw/zinc/57/29/02/525572902.db2.gz CCGKUMOYXDDWCO-MNOVXSKESA-N 0 0 306.366 0.859 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(CO)c(F)c1 ZINC000190116519 525577892 /nfs/dbraw/zinc/57/78/92/525577892.db2.gz LIJQUJCRIXQLHY-ZANVPECISA-N 0 0 303.355 0.915 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)Cn1cc(Br)ccc1=O ZINC000163017955 525742717 /nfs/dbraw/zinc/74/27/17/525742717.db2.gz SZVLJXWFNIFUOI-MRVPVSSYSA-N 0 0 317.183 0.886 10 0 DCAERN C[C@@H](O)CCNC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000118718557 525767279 /nfs/dbraw/zinc/76/72/79/525767279.db2.gz BTQLIUNTLJOFCS-LLVKDONJSA-N 0 0 300.380 0.194 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249530579 525906777 /nfs/dbraw/zinc/90/67/77/525906777.db2.gz AVYODBNYKBVHID-IHRRRGAJSA-N 0 0 300.399 0.096 10 0 DCAERN C[C@H](C(=O)NCc1cccs1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000246949971 526089111 /nfs/dbraw/zinc/08/91/11/526089111.db2.gz FMXJPRXQDKIDGL-WDEREUQCSA-N 0 0 316.448 0.872 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2COCCN2C2CCCC2)c1 ZINC000189047095 526262876 /nfs/dbraw/zinc/26/28/76/526262876.db2.gz TUZHTUDEKJAANJ-HNNXBMFYSA-N 0 0 306.410 0.951 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cnn(C)c3)C2)c1 ZINC000158384890 526266886 /nfs/dbraw/zinc/26/68/86/526266886.db2.gz JOOXKKYZTXJXAL-ZDUSSCGKSA-N 0 0 316.365 0.727 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NC[C@H]1CC[C@H](O)C1 ZINC000189952400 526332393 /nfs/dbraw/zinc/33/23/93/526332393.db2.gz FWIXVUYVLLIQMI-JSGCOSHPSA-N 0 0 305.378 0.877 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000159167651 526553260 /nfs/dbraw/zinc/55/32/60/526553260.db2.gz KFVYKTPNGFUNHA-SSDOTTSWSA-N 0 0 308.381 0.099 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)COC(C)C)CC2)n1 ZINC000105903299 526643880 /nfs/dbraw/zinc/64/38/80/526643880.db2.gz UMNYMIDDGFOVKO-OCCSQVGLSA-N 0 0 312.414 0.843 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000331965862 526678416 /nfs/dbraw/zinc/67/84/16/526678416.db2.gz VTAFRDXNPCIGIB-NEPJUHHUSA-N 0 0 300.424 0.821 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000330963022 526680633 /nfs/dbraw/zinc/68/06/33/526680633.db2.gz GMHYUALPFQUKDO-NSHDSACASA-N 0 0 322.390 0.643 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)s1 ZINC000184301824 526738030 /nfs/dbraw/zinc/73/80/30/526738030.db2.gz UZINFIPGKSEMML-LBPRGKRZSA-N 0 0 318.420 0.940 10 0 DCAERN Cc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)s1 ZINC000155671830 526749215 /nfs/dbraw/zinc/74/92/15/526749215.db2.gz LWNQZCFQTXYFPU-CBAPKCEASA-N 0 0 310.379 0.877 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCO[C@H]1C ZINC000135249282 526778107 /nfs/dbraw/zinc/77/81/07/526778107.db2.gz RDGKVAAJXXNYCU-GXSJLCMTSA-N 0 0 316.379 0.746 10 0 DCAERN O=C(CNC(=O)[C@H]1CCCN1c1nccs1)NCC1CC1 ZINC000155188049 526848228 /nfs/dbraw/zinc/84/82/28/526848228.db2.gz KVVZCTZUTQHPNH-LLVKDONJSA-N 0 0 308.407 0.754 10 0 DCAERN O=C(c1cnn2c1CCCC2)N1CCN(c2cnccn2)CC1 ZINC000127764160 526889953 /nfs/dbraw/zinc/88/99/53/526889953.db2.gz BSCUJEFFAAURNC-UHFFFAOYSA-N 0 0 312.377 0.972 10 0 DCAERN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C1=COCCO1 ZINC000191562533 526922715 /nfs/dbraw/zinc/92/27/15/526922715.db2.gz QSAUPYXJZRIGME-CYBMUJFWSA-N 0 0 320.320 0.931 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157673172 526925856 /nfs/dbraw/zinc/92/58/56/526925856.db2.gz ZVEHRZCECAKPMS-LLVKDONJSA-N 0 0 307.325 0.915 10 0 DCAERN O=C1CCC(=O)N1CCN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159294872 526962776 /nfs/dbraw/zinc/96/27/76/526962776.db2.gz OALQJLONTYFWIG-CHWSQXEVSA-N 0 0 322.361 0.553 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@H](c3ccco3)C2)C1 ZINC000246321465 526963674 /nfs/dbraw/zinc/96/36/74/526963674.db2.gz CRIFFBNEGPUTEO-OCCSQVGLSA-N 0 0 321.377 0.377 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CNc2cccc3c2C(=O)NC3)C1 ZINC000154745737 527001694 /nfs/dbraw/zinc/00/16/94/527001694.db2.gz HCVHGJGOOWFJKQ-NSHDSACASA-N 0 0 316.361 0.066 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000267600357 527188862 /nfs/dbraw/zinc/18/88/62/527188862.db2.gz LWHADBNOZWJERH-VXGBXAGGSA-N 0 0 320.397 0.730 10 0 DCAERN Cn1cc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cn1 ZINC000267510084 527305535 /nfs/dbraw/zinc/30/55/35/527305535.db2.gz BPWDBQGJRSKJIL-LBPRGKRZSA-N 0 0 300.384 0.134 10 0 DCAERN O=C(Nc1cccc(F)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188014766 527349106 /nfs/dbraw/zinc/34/91/06/527349106.db2.gz LXKROOOIBGYJOC-UHFFFAOYSA-N 0 0 319.336 0.891 10 0 DCAERN O=C(Cn1cccn1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159163678 527386866 /nfs/dbraw/zinc/38/68/66/527386866.db2.gz JOYSWXYABIJESJ-OLZOCXBDSA-N 0 0 305.334 0.827 10 0 DCAERN O=C(NC1CC1)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000162047685 527485592 /nfs/dbraw/zinc/48/55/92/527485592.db2.gz XJVSLKIJSJKAMU-GWCFXTLKSA-N 0 0 310.300 0.878 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCN(c4cccnn4)CC3)cc21 ZINC000183610376 527647772 /nfs/dbraw/zinc/64/77/72/527647772.db2.gz UFNQEVMOZXAGSA-UHFFFAOYSA-N 0 0 323.360 0.721 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C)[C@H](OC)C2)C1 ZINC000187650299 528147939 /nfs/dbraw/zinc/14/79/39/528147939.db2.gz MXENBXLMJGUGGD-FRRDWIJNSA-N 0 0 312.414 0.857 10 0 DCAERN CCC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000133189534 528379110 /nfs/dbraw/zinc/37/91/10/528379110.db2.gz IZJIAGCMUKDGLX-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000175963572 528764810 /nfs/dbraw/zinc/76/48/10/528764810.db2.gz NNIFTXHWKJPRHH-CQSZACIVSA-N 0 0 310.398 0.045 10 0 DCAERN CCOCCS(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000178815743 528849614 /nfs/dbraw/zinc/84/96/14/528849614.db2.gz VZIZVLHMVXYHFQ-OLZOCXBDSA-N 0 0 308.444 0.130 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCN1CCCOCC1 ZINC000188151554 528889810 /nfs/dbraw/zinc/88/98/10/528889810.db2.gz BWODSRYOPSQERU-UHFFFAOYSA-N 0 0 323.397 0.070 10 0 DCAERN CCCn1nnnc1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000328618776 528903248 /nfs/dbraw/zinc/90/32/48/528903248.db2.gz FCJRHWVKRWXEJY-GXTWGEPZSA-N 0 0 305.386 0.745 10 0 DCAERN CCC1(CC)CN(C(=O)C2CN(C(C)=O)C2)CC[S@]1=O ZINC000188668849 529061556 /nfs/dbraw/zinc/06/15/56/529061556.db2.gz KFGPJERUVXSRKY-FQEVSTJZSA-N 0 0 300.424 0.614 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000177706194 529135263 /nfs/dbraw/zinc/13/52/63/529135263.db2.gz QICAKOKSFDDMQF-AGIUHOORSA-N 0 0 324.425 0.729 10 0 DCAERN CCCOc1cccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285690793 535288676 /nfs/dbraw/zinc/28/86/76/535288676.db2.gz WMNBASZYNKFORN-QGZVFWFLSA-N 0 0 320.389 0.857 10 0 DCAERN CCNC(=O)c1ccc(N2C[C@H](OC)C[C@H]2c2nc[nH]n2)nc1 ZINC000284563276 535425531 /nfs/dbraw/zinc/42/55/31/535425531.db2.gz NROVTSYNJMBCKM-NEPJUHHUSA-N 0 0 316.365 0.916 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2cc(C(F)(F)F)nc3ncnn32)C1 ZINC000284595562 536785951 /nfs/dbraw/zinc/78/59/51/536785951.db2.gz QPEUWGHPHOINGW-JGVFFNPUSA-N 0 0 317.271 0.729 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2cc(N3CCSCC3)ncn2)C1 ZINC000284625223 536786130 /nfs/dbraw/zinc/78/61/30/536786130.db2.gz UEUHXXISQKCPMF-NWDGAFQWSA-N 0 0 310.423 0.616 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000284672400 536786340 /nfs/dbraw/zinc/78/63/40/536786340.db2.gz YTXOOKFOMZQREF-QWHCGFSZSA-N 0 0 303.366 0.865 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N[C@@]2(C(=O)OC)CCOC2)c1 ZINC000457636623 536882211 /nfs/dbraw/zinc/88/22/11/536882211.db2.gz RNZILYWDIXIMEE-INIZCTEOSA-N 0 0 321.329 0.844 10 0 DCAERN CC(C)n1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)n1 ZINC000069988560 545660814 /nfs/dbraw/zinc/66/08/14/545660814.db2.gz ZEHUFNVSJCHTMZ-UHFFFAOYSA-N 0 0 300.428 0.978 10 0 DCAERN O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)COCc1ccco1 ZINC000071814173 545663929 /nfs/dbraw/zinc/66/39/29/545663929.db2.gz WCCQGDJVTPPNGG-YPMHNXCESA-N 0 0 308.334 0.974 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(C(=O)CO)CC2)c1 ZINC000089549275 545714818 /nfs/dbraw/zinc/71/48/18/545714818.db2.gz NEKKTHMOIPCBFC-GJZGRUSLSA-N 0 0 318.373 0.462 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)n1 ZINC000105221681 545732781 /nfs/dbraw/zinc/73/27/81/545732781.db2.gz GETDOWFQARKTBF-QWRGUYRKSA-N 0 0 311.386 0.329 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000120915302 545746240 /nfs/dbraw/zinc/74/62/40/545746240.db2.gz ARXJNUPFMUKNLR-KBPBESRZSA-N 0 0 320.455 0.538 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000177929669 545892703 /nfs/dbraw/zinc/89/27/03/545892703.db2.gz IZSBPOFUAVRRFI-LLVKDONJSA-N 0 0 320.393 0.851 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)n1 ZINC000178781701 545896955 /nfs/dbraw/zinc/89/69/55/545896955.db2.gz DRIVBASYIUVHHY-CQSZACIVSA-N 0 0 306.410 0.999 10 0 DCAERN CN(C)c1noc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000192756878 545929260 /nfs/dbraw/zinc/92/92/60/545929260.db2.gz YEKOBFRDXMWTIN-JTQLQIEISA-N 0 0 300.384 0.287 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000193328384 545930830 /nfs/dbraw/zinc/93/08/30/545930830.db2.gz ITYZVTSTFNTYBS-NWDGAFQWSA-N 0 0 318.377 0.797 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000193479414 545931265 /nfs/dbraw/zinc/93/12/65/545931265.db2.gz XMTWGWCWZXLYAT-XJFOESAGSA-N 0 0 312.435 0.855 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)Nc3cc(C4CC4)[nH]n3)nc2n1 ZINC000328937180 546041139 /nfs/dbraw/zinc/04/11/39/546041139.db2.gz JRTPFMZQOKZFCT-UHFFFAOYSA-N 0 0 311.349 1.523 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)[C@@H]1CCOC1 ZINC000329655767 546053146 /nfs/dbraw/zinc/05/31/46/546053146.db2.gz FYAXNCYLLWJBJW-NFAWXSAZSA-N 0 0 320.393 0.577 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)NC[C@@H]1CCCCS1(=O)=O ZINC000332877572 546064545 /nfs/dbraw/zinc/06/45/45/546064545.db2.gz TTXQNKUXYHQHHU-AVGNSLFASA-N 0 0 318.439 0.804 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@@H]1CCOC1 ZINC000333060205 546070861 /nfs/dbraw/zinc/07/08/61/546070861.db2.gz AZYXKOKZRPACPR-DMDPSCGWSA-N 0 0 315.395 0.206 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)N1CC[C@@H](N2CCOCC2)C1 ZINC000333113606 546071622 /nfs/dbraw/zinc/07/16/22/546071622.db2.gz YCJBRDVVTCIGQU-CHWSQXEVSA-N 0 0 320.397 0.229 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000333326602 546078132 /nfs/dbraw/zinc/07/81/32/546078132.db2.gz QISBGQVLUZUWIA-OCCSQVGLSA-N 0 0 305.378 0.531 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000333350794 546078318 /nfs/dbraw/zinc/07/83/18/546078318.db2.gz FGQBJAYWTXBLRP-BFQNTYOBSA-N 0 0 323.393 0.470 10 0 DCAERN CN1CC(=O)N(CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)C1=O ZINC000333520204 546084011 /nfs/dbraw/zinc/08/40/11/546084011.db2.gz NSGVAWGOPFQIRX-YRORDHRNSA-N 0 0 305.378 0.775 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)N(C(C)=O)C1 ZINC000333732935 546090453 /nfs/dbraw/zinc/09/04/53/546090453.db2.gz QAEKWSJTPFUBAM-YJNKXOJESA-N 0 0 310.394 0.792 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2coc(Br)c2)C1 ZINC000355070165 546181007 /nfs/dbraw/zinc/18/10/07/546181007.db2.gz ODJGKUOIRVXAAM-SNVBAGLBSA-N 0 0 303.112 0.104 10 0 DCAERN CCN1CCO[C@H](CNCc2c(Br)cnn2C)C1 ZINC000381411151 546215678 /nfs/dbraw/zinc/21/56/78/546215678.db2.gz YRSHLXFKCWOWKF-SNVBAGLBSA-N 0 0 317.231 0.993 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)Cc2cc(C)on2)C1 ZINC000401886353 546226435 /nfs/dbraw/zinc/22/64/35/546226435.db2.gz KTSJHJWBJRUZJS-LBPRGKRZSA-N 0 0 304.368 0.286 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCc2cncn2C1 ZINC000606443570 546310669 /nfs/dbraw/zinc/31/06/69/546310669.db2.gz IDZGIVOUYDKETI-CYBMUJFWSA-N 0 0 316.336 0.883 10 0 DCAERN CCc1nnc(C)cc1C(=O)N1C[C@@H](OC)[C@H](c2cn[nH]n2)C1 ZINC000622166323 546323187 /nfs/dbraw/zinc/32/31/87/546323187.db2.gz ITRRZSVXZROEAZ-SMDDNHRTSA-N 0 0 316.365 0.720 10 0 DCAERN CC(C)=CCNc1ncn(CC[C@@H]([NH3+])C(=O)[O-])c2ncnc1-2 ZINC000001565183 560182408 /nfs/dbraw/zinc/18/24/08/560182408.db2.gz KGVAAXZLUAKZEO-SNVBAGLBSA-N 0 0 304.354 0.958 10 0 in-vitro DCAERN CC(C)c1nsc(NCC[C@H]2CNCCS2(=O)=O)n1 ZINC000721722792 664468568 /nfs/dbraw/zinc/46/85/68/664468568.db2.gz BCFIOLQVRIMGLT-VIFPVBQESA-N 0 0 304.441 0.850 10 0 DCAERN C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1 ZINC000054001261 661037771 /nfs/dbraw/zinc/03/77/71/661037771.db2.gz PZOXLNDTNOJENG-SECBINFHSA-N 0 0 320.315 0.889 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@H]1CCC[C@@H]1O ZINC000310194331 661160694 /nfs/dbraw/zinc/16/06/94/661160694.db2.gz ZHKQKEXBRPICNS-RQJHMYQMSA-N 0 0 303.160 0.468 10 0 DCAERN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Cc2cncn2C)cn1 ZINC000888094853 661163114 /nfs/dbraw/zinc/16/31/14/661163114.db2.gz FSQCMXITZVYKPV-UONOGXRCSA-N 0 0 303.366 0.812 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccc(Br)s1 ZINC000722488082 661273452 /nfs/dbraw/zinc/27/34/52/661273452.db2.gz ZXOFFJOTFUXLFC-RXMQYKEDSA-N 0 0 313.198 0.692 10 0 DCAERN C=CCNC(=O)CN1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000024056747 657468821 /nfs/dbraw/zinc/46/88/21/657468821.db2.gz ZGOYZLYEBYVZSN-UHFFFAOYSA-N 0 0 310.789 0.136 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)C(C)C ZINC000178437164 657945696 /nfs/dbraw/zinc/94/56/96/657945696.db2.gz ORFVIWYWFPUSCD-CZUORRHYSA-N 0 0 307.394 0.964 10 0 DCAERN CN(Cc1cccs1)C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725006583 658017780 /nfs/dbraw/zinc/01/77/80/658017780.db2.gz RFWAOEOQKLDAMW-NSHDSACASA-N 0 0 302.421 0.483 10 0 DCAERN CC(C)n1nccc1NC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725004565 658018381 /nfs/dbraw/zinc/01/83/81/658018381.db2.gz MRCVEIHQWXJYKF-JTQLQIEISA-N 0 0 300.384 0.179 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@H](CCO)C1CCCC1 ZINC000725041939 658080045 /nfs/dbraw/zinc/08/00/45/658080045.db2.gz JZGRBBOKYUXMDH-GFCCVEGCSA-N 0 0 307.412 0.800 10 0 DCAERN CNC(=O)CCN(C)CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255002383 658136155 /nfs/dbraw/zinc/13/61/55/658136155.db2.gz SZJVBOHTABCCIM-NSHDSACASA-N 0 0 307.398 0.282 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)[C@@H]2CC23CCOCC3)CCC1 ZINC000721582209 658156629 /nfs/dbraw/zinc/15/66/29/658156629.db2.gz QZJMTSIOUNGSKU-JTQLQIEISA-N 0 0 302.396 0.131 10 0 DCAERN CS(=O)(=O)CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000121724604 658188713 /nfs/dbraw/zinc/18/87/13/658188713.db2.gz WSPZGKKJQZXQTD-TXEJJXNPSA-N 0 0 304.412 0.489 10 0 DCAERN O=S(=O)(Cc1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181422184 665578398 /nfs/dbraw/zinc/57/83/98/665578398.db2.gz OITXPYUSXXWFPW-WDEREUQCSA-N 0 0 324.807 0.413 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2cccc(Br)n2)C1 ZINC000310396731 658598562 /nfs/dbraw/zinc/59/85/62/658598562.db2.gz STGQSLVOQHRQQQ-LLVKDONJSA-N 0 0 300.156 0.661 10 0 DCAERN COCCOC[C@@H](O)CN1CCS[C@H](C(F)(F)F)C1 ZINC000721413390 658603809 /nfs/dbraw/zinc/60/38/09/658603809.db2.gz UGEPTVSJPPSTNV-UWVGGRQHSA-N 0 0 303.346 0.990 10 0 DCAERN CN1C[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)CC1=O ZINC000723350827 658642311 /nfs/dbraw/zinc/64/23/11/658642311.db2.gz FZBSNXAVIVDZMO-ZETCQYMHSA-N 0 0 321.761 0.631 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CSc1nc(CO)cs1 ZINC000723393076 658665320 /nfs/dbraw/zinc/66/53/20/658665320.db2.gz AQOZXGXQUPFCQX-UHFFFAOYSA-N 0 0 317.436 0.712 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@@](O)(Cc3nncn3C)C2)[nH]1 ZINC000888077757 658720504 /nfs/dbraw/zinc/72/05/04/658720504.db2.gz SMCDAMKEFPWXCA-OAHLLOKOSA-N 0 0 319.413 0.626 10 0 DCAERN CN1C(=O)C[C@@H](CNS(=O)(=O)CC2CC2)[C@@H]1c1cccnc1 ZINC000888079009 658727702 /nfs/dbraw/zinc/72/77/02/658727702.db2.gz VPMYAJGEFUHZLK-ZFWWWQNUSA-N 0 0 323.418 0.930 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccnc1Cl ZINC000725759836 658760533 /nfs/dbraw/zinc/76/05/33/658760533.db2.gz HCIWICYACBHFIZ-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCC[C@H]1O ZINC000051996106 658776687 /nfs/dbraw/zinc/77/66/87/658776687.db2.gz QXVOXEDVLRFAOI-OUAUKWLOSA-N 0 0 307.437 0.326 10 0 DCAERN O=C(NCCCF)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000181554171 665614429 /nfs/dbraw/zinc/61/44/29/665614429.db2.gz XHNNLUYZLUOPCN-VXGBXAGGSA-N 0 0 315.301 0.648 10 0 DCAERN COC[C@@](C)(CCO)NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255355753 658807049 /nfs/dbraw/zinc/80/70/49/658807049.db2.gz FTVJKUQQOFMQFL-BLLLJJGKSA-N 0 0 324.425 0.592 10 0 DCAERN COC(=O)c1nc(C(=O)NCC[C@H](C)[S@](C)=O)cs1 ZINC000721435747 658831051 /nfs/dbraw/zinc/83/10/51/658831051.db2.gz QRRKSXCWTKMFBS-IIYDVTGLSA-N 0 0 304.393 0.817 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000163677415 659088602 /nfs/dbraw/zinc/08/86/02/659088602.db2.gz QNENTHQUTBRKBE-BDAKNGLRSA-N 0 0 324.768 0.786 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@@H]1C ZINC000187808379 659105259 /nfs/dbraw/zinc/10/52/59/659105259.db2.gz GOIFLOMPCNRVJW-DMDPSCGWSA-N 0 0 306.366 0.646 10 0 DCAERN CC(C)N(C)C(=O)CS(=O)(=O)c1nnc2n1CCCCC2 ZINC000125345858 659124120 /nfs/dbraw/zinc/12/41/20/659124120.db2.gz NOJXBPAAHVTJQU-UHFFFAOYSA-N 0 0 314.411 0.645 10 0 DCAERN O=C(Cc1cn2cc(F)ccc2n1)NCCCN1CCOCC1 ZINC000075303627 659299335 /nfs/dbraw/zinc/29/93/35/659299335.db2.gz BLCHSFHHOWAUSK-UHFFFAOYSA-N 0 0 320.368 0.854 10 0 DCAERN CNC(=O)CC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000187502970 659308220 /nfs/dbraw/zinc/30/82/20/659308220.db2.gz HGRCKJWQOIKAER-LBPRGKRZSA-N 0 0 304.268 0.689 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000312693163 659425094 /nfs/dbraw/zinc/42/50/94/659425094.db2.gz CAEOAWOLKCIYBF-JTQLQIEISA-N 0 0 302.327 0.945 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000312699107 659428521 /nfs/dbraw/zinc/42/85/21/659428521.db2.gz DAJQBWBHVKPNFS-GFCCVEGCSA-N 0 0 318.160 0.841 10 0 DCAERN C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N1CCOCC1 ZINC000193792479 659461601 /nfs/dbraw/zinc/46/16/01/659461601.db2.gz PSTZVFWNBREUHD-SNVBAGLBSA-N 0 0 302.325 0.599 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000312738318 659472575 /nfs/dbraw/zinc/47/25/75/659472575.db2.gz IYYWBYMJVBKUMP-SECBINFHSA-N 0 0 317.798 0.759 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@@H](C)O1 ZINC000194320029 659495120 /nfs/dbraw/zinc/49/51/20/659495120.db2.gz UZXHGZPFKRKJSV-SCZZXKLOSA-N 0 0 317.292 0.551 10 0 DCAERN O=C1[C@H](N2CCO[C@]3(CCCOC3)C2)CCN1C1CCOCC1 ZINC000329063913 659809110 /nfs/dbraw/zinc/80/91/10/659809110.db2.gz KKCUPLSZGPVHDZ-NVXWUHKLSA-N 0 0 324.421 0.648 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(Cl)nc1Cl ZINC000236071502 661367181 /nfs/dbraw/zinc/36/71/81/661367181.db2.gz MHJUWDKAKIZNFR-LURJTMIESA-N 0 0 302.117 0.923 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183288587 666018254 /nfs/dbraw/zinc/01/82/54/666018254.db2.gz ACDZRVNXTJZHHO-KGLIPLIRSA-N 0 0 310.394 0.999 10 0 DCAERN Cc1nc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)sc1C ZINC000125023892 668192543 /nfs/dbraw/zinc/19/25/43/668192543.db2.gz KYOUQQPECMTDPJ-SECBINFHSA-N 0 0 303.409 0.475 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3(O)CCOCC3)C2)n(C)n1 ZINC000333425954 661870009 /nfs/dbraw/zinc/87/00/09/661870009.db2.gz GWKHAINKKAXMCF-ZDUSSCGKSA-N 0 0 322.409 0.355 10 0 DCAERN O=C(N[C@@H]1CCOC1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000178935496 662047751 /nfs/dbraw/zinc/04/77/51/662047751.db2.gz ZXZNTUPILSPVHO-JHJVBQTASA-N 0 0 310.350 0.902 10 0 DCAERN Cc1occc1C(=O)NC1CCN(C(=S)NCC(N)=O)CC1 ZINC000727284437 662150781 /nfs/dbraw/zinc/15/07/81/662150781.db2.gz HLFXJXWENLZNGN-UHFFFAOYSA-N 0 0 324.406 0.142 10 0 DCAERN COCCS(=O)(=O)CCCN1CCC[C@H](C(=O)OC)C1 ZINC000727831597 662249730 /nfs/dbraw/zinc/24/97/30/662249730.db2.gz KLZAJELWLCESGO-LBPRGKRZSA-N 0 0 307.412 0.323 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2=O)c(C)c1 ZINC000728290418 662374964 /nfs/dbraw/zinc/37/49/64/662374964.db2.gz LHOXEKYWSXGJQG-JTQLQIEISA-N 0 0 313.331 0.375 10 0 DCAERN COC(=O)c1ccc2c(cnn2CN2CCS(=O)(=O)CC2)c1 ZINC000728711243 662413442 /nfs/dbraw/zinc/41/34/42/662413442.db2.gz KMCLVNSXFBVCMW-UHFFFAOYSA-N 0 0 323.374 0.511 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C(=O)NCc2nc(C(F)(F)F)no2)O1 ZINC000897358595 662515333 /nfs/dbraw/zinc/51/53/33/662515333.db2.gz WBEITXCFUXHWJS-RQJHMYQMSA-N 0 0 308.260 0.424 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCOC[C@H]1CCCO1 ZINC000342856074 662628373 /nfs/dbraw/zinc/62/83/73/662628373.db2.gz BWBMKOFWZRNDHG-CHWSQXEVSA-N 0 0 316.423 0.610 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC000729263257 662761588 /nfs/dbraw/zinc/76/15/88/662761588.db2.gz VIPORKWCJWZYKQ-GFCCVEGCSA-N 0 0 302.396 0.611 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@@H]1CC(F)F ZINC000343439567 662834261 /nfs/dbraw/zinc/83/42/61/662834261.db2.gz KWPCMWBOUOMPDN-UWVGGRQHSA-N 0 0 308.350 0.790 10 0 DCAERN Cc1ccn2ncc(C(=O)NN=c3cc(Cl)nc(N)[nH]3)c2n1 ZINC000182778804 665906684 /nfs/dbraw/zinc/90/66/84/665906684.db2.gz QJPTVQBMWLDQKF-UHFFFAOYSA-N 0 0 318.728 0.820 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081589391 662898244 /nfs/dbraw/zinc/89/82/44/662898244.db2.gz QZGLCIFJTYHVCK-MNOVXSKESA-N 0 0 309.395 0.459 10 0 DCAERN CC(C)[C@@H](OC(=O)Cc1nc2ncccn2n1)C(=O)N(C)C ZINC000729706574 662907635 /nfs/dbraw/zinc/90/76/35/662907635.db2.gz YYQSIDCODKIITC-GFCCVEGCSA-N 0 0 305.338 0.323 10 0 DCAERN CN(C)C(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730104673 663044518 /nfs/dbraw/zinc/04/45/18/663044518.db2.gz VVNYSPPHGVJDEE-UHFFFAOYSA-N 0 0 319.361 0.397 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)[C@H](C)O ZINC000344879291 663079625 /nfs/dbraw/zinc/07/96/25/663079625.db2.gz JGSGTRITCUCNOO-YUMQZZPRSA-N 0 0 307.393 0.891 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)[C@H](C)O)c1 ZINC000344896172 663080036 /nfs/dbraw/zinc/08/00/36/663080036.db2.gz GFDFKFCZRVIVRD-UWVGGRQHSA-N 0 0 301.364 0.662 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][nH]1 ZINC000898868905 663111268 /nfs/dbraw/zinc/11/12/68/663111268.db2.gz XZJHPPDYCHGBOU-ONGXEEELSA-N 0 0 306.366 0.941 10 0 DCAERN Cc1nc2c(nccc2C(=O)NCCNC(=O)c2ccn[nH]2)[nH]1 ZINC000436065350 663399887 /nfs/dbraw/zinc/39/98/87/663399887.db2.gz XHFALTGZDUOYSN-UHFFFAOYSA-N 0 0 313.321 0.149 10 0 DCAERN COc1cc(CC(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)ccc1O ZINC000909185060 663784308 /nfs/dbraw/zinc/78/43/08/663784308.db2.gz HTGBGJDQVDMYPH-PVXIVEMSSA-N 0 0 317.345 0.631 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000311127579 664165627 /nfs/dbraw/zinc/16/56/27/664165627.db2.gz QBUSTJMJMKMQPR-JGVFFNPUSA-N 0 0 317.187 0.859 10 0 DCAERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)N1CCOC[C@H]1CO ZINC000912415958 664173343 /nfs/dbraw/zinc/17/33/43/664173343.db2.gz XNGZWAAJTYOERB-SNVBAGLBSA-N 0 0 315.272 0.770 10 0 DCAERN O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCOC[C@H]1CO ZINC000912424000 664174642 /nfs/dbraw/zinc/17/46/42/664174642.db2.gz ZXJMGQRWTOKWLH-GXTWGEPZSA-N 0 0 310.394 0.387 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nnc(Cl)c(C)c1C ZINC000700319871 666703854 /nfs/dbraw/zinc/70/38/54/666703854.db2.gz NHNGPCRQBSEEFK-IUCAKERBSA-N 0 0 305.787 0.971 10 0 DCAERN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000044781998 664371072 /nfs/dbraw/zinc/37/10/72/664371072.db2.gz OCULSXRJKLNAPE-VXGBXAGGSA-N 0 0 322.409 0.513 10 0 DCAERN Cc1nccn1CCCNC(=O)Cc1nc(C)[nH]c(=O)c1C ZINC000222933940 664395734 /nfs/dbraw/zinc/39/57/34/664395734.db2.gz HTNFKPCWPADUFQ-UHFFFAOYSA-N 0 0 303.366 0.641 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)[C@@H]1CCCO1 ZINC000223625294 664418176 /nfs/dbraw/zinc/41/81/76/664418176.db2.gz WMTYMOKBMGUUCV-AWEZNQCLSA-N 0 0 312.410 0.411 10 0 DCAERN CCn1nc(C)c2c1cnn2CCC(=O)NCC(=O)N(C)C ZINC000223866484 664425523 /nfs/dbraw/zinc/42/55/23/664425523.db2.gz WQXXIRYTBRAYLC-UHFFFAOYSA-N 0 0 306.370 0.156 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)OCCCC(F)(F)F)CC1 ZINC000157644473 664483952 /nfs/dbraw/zinc/48/39/52/664483952.db2.gz BKZOZEWNDSXZQB-UHFFFAOYSA-N 0 0 318.317 0.788 10 0 DCAERN Cn1cc(Br)cc1C(=O)N1CCOC[C@@H]1CO ZINC000168176188 664521056 /nfs/dbraw/zinc/52/10/56/664521056.db2.gz VEGFPUVSCJWCLC-VIFPVBQESA-N 0 0 303.156 0.621 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1F)N1CCOC[C@H]1CO ZINC000168673356 664529398 /nfs/dbraw/zinc/52/93/98/664529398.db2.gz HHFVITIPAQULDF-MRVPVSSYSA-N 0 0 309.746 0.861 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1F)N1CCOC[C@@H]1CO ZINC000168673251 664529425 /nfs/dbraw/zinc/52/94/25/664529425.db2.gz HHFVITIPAQULDF-QMMMGPOBSA-N 0 0 309.746 0.861 10 0 DCAERN Cc1cc(C(=O)N2CC[C@]3(C2)NC(=O)NC3=O)cc(Cl)n1 ZINC000228427405 664559374 /nfs/dbraw/zinc/55/93/74/664559374.db2.gz BZZYVSLNVGZPRB-CYBMUJFWSA-N 0 0 308.725 0.468 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC1CCSCC1 ZINC000229274172 664596904 /nfs/dbraw/zinc/59/69/04/664596904.db2.gz MJYPLSINHSZECM-NSHDSACASA-N 0 0 306.453 0.023 10 0 DCAERN CCCN1C(=O)C(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1=O ZINC000171361199 664607531 /nfs/dbraw/zinc/60/75/31/664607531.db2.gz XRXWNDDIQCJYJO-LBPRGKRZSA-N 0 0 319.365 0.715 10 0 DCAERN Cc1nc(CN2CCN(CN3CCOC3=S)CC2)oc1C ZINC000171356120 664607552 /nfs/dbraw/zinc/60/75/52/664607552.db2.gz IFJNXKMQLIRIQL-UHFFFAOYSA-N 0 0 310.423 0.984 10 0 DCAERN Cc1nn2cc(CCCOC(=O)[C@H]3CNC(=O)C3)cnc2c1C ZINC000171574841 664610314 /nfs/dbraw/zinc/61/03/14/664610314.db2.gz LRCOKWKAYMLCAM-CYBMUJFWSA-N 0 0 316.361 0.958 10 0 DCAERN O=C(O[C@H]1CCS(=O)(=O)C1)c1cccc(-n2cncn2)c1 ZINC000172187435 664617270 /nfs/dbraw/zinc/61/72/70/664617270.db2.gz GSLUZVZSLMEUJA-LBPRGKRZSA-N 0 0 307.331 0.611 10 0 DCAERN O[C@H](CN1CCN(CN2CCOC2=S)CC1)c1ccccc1 ZINC000173361356 664628611 /nfs/dbraw/zinc/62/86/11/664628611.db2.gz ATMANYNRNIFAMC-OAHLLOKOSA-N 0 0 321.446 0.912 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000063767912 664634747 /nfs/dbraw/zinc/63/47/47/664634747.db2.gz VQMREAHZJFRHGY-WCQYABFASA-N 0 0 313.361 0.993 10 0 DCAERN O=c1[nH]c(=O)n(Cc2cnn(-c3ccccc3)n2)cc1Cl ZINC000174125606 664636061 /nfs/dbraw/zinc/63/60/61/664636061.db2.gz RQCUJLNNJOGCBB-UHFFFAOYSA-N 0 0 303.709 0.819 10 0 DCAERN O=C(COc1ccc2c(c1)CCC2)N[C@H]1CCC(=O)NC1=O ZINC000174271500 664638029 /nfs/dbraw/zinc/63/80/29/664638029.db2.gz HNKSXNOBRUTBOR-ZDUSSCGKSA-N 0 0 302.330 0.476 10 0 DCAERN CNC(=O)CNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730272666 664673289 /nfs/dbraw/zinc/67/32/89/664673289.db2.gz PCOMJFVSIFEPHH-UHFFFAOYSA-N 0 0 305.334 0.054 10 0 DCAERN C[C@@H](NC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000730273578 664673616 /nfs/dbraw/zinc/67/36/16/664673616.db2.gz YSNGGDNSAUHSQC-SNVBAGLBSA-N 0 0 305.334 0.182 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)NCC(C)C ZINC000730307205 664681827 /nfs/dbraw/zinc/68/18/27/664681827.db2.gz ARQRGOBBPIMZHX-MWLCHTKSSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1CCCC1 ZINC000730307167 664681898 /nfs/dbraw/zinc/68/18/98/664681898.db2.gz AVJOUXAROOJOGR-JOYOIKCWSA-N 0 0 314.407 0.898 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)NC1CCCC1 ZINC000730307165 664681936 /nfs/dbraw/zinc/68/19/36/664681936.db2.gz AVJOUXAROOJOGR-CABZTGNLSA-N 0 0 314.407 0.898 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCc1cccc(C(N)=O)c1 ZINC000730312523 664684072 /nfs/dbraw/zinc/68/40/72/664684072.db2.gz SZZUWEZOXNXUSZ-LBPRGKRZSA-N 0 0 308.359 0.750 10 0 DCAERN COC(=O)[C@@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 ZINC000151649777 664710254 /nfs/dbraw/zinc/71/02/54/664710254.db2.gz SXNBWMQOICTBDE-LLVKDONJSA-N 0 0 302.334 0.634 10 0 DCAERN COC(=O)CCNC(=O)COC(=O)Cn1ncc2ccccc21 ZINC000730637618 664798885 /nfs/dbraw/zinc/79/88/85/664798885.db2.gz GAHOMQALEVMCMU-UHFFFAOYSA-N 0 0 319.317 0.259 10 0 DCAERN C[C@H](OC(=O)C1=COCCC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000730851475 664820659 /nfs/dbraw/zinc/82/06/59/664820659.db2.gz AOXRGDZILUIOMM-WDEREUQCSA-N 0 0 310.350 0.336 10 0 DCAERN CSCCCC(=O)OCCc1c(C)nc2[nH]cnn2c1=O ZINC000153368151 664825137 /nfs/dbraw/zinc/82/51/37/664825137.db2.gz BVICJTXWUSZAQM-UHFFFAOYSA-N 0 0 310.379 0.955 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731682186 664876819 /nfs/dbraw/zinc/87/68/19/664876819.db2.gz HKYOENFVWXADJW-RYUDHWBXSA-N 0 0 317.455 0.451 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N1CCCNC(=O)C1 ZINC000731761456 664883494 /nfs/dbraw/zinc/88/34/94/664883494.db2.gz MKIAFSPPEXLMHM-CYBMUJFWSA-N 0 0 316.361 0.323 10 0 DCAERN CO[C@H](C)CCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000174809979 664934592 /nfs/dbraw/zinc/93/45/92/664934592.db2.gz LIKCLMWMZBVGPF-SNVBAGLBSA-N 0 0 306.318 0.658 10 0 DCAERN C[C@H](COC(=O)Cn1ncn(C)c1=O)COc1ccccc1 ZINC000154115971 665080977 /nfs/dbraw/zinc/08/09/77/665080977.db2.gz DJUGWYCCYXWGJM-LBPRGKRZSA-N 0 0 305.334 0.840 10 0 DCAERN C[C@H](OC(=O)Cn1ncn(C)c1=O)C(Cl)(Cl)Cl ZINC000154145532 665090591 /nfs/dbraw/zinc/09/05/91/665090591.db2.gz NLNGXQCDCLGTNZ-YFKPBYRVSA-N 0 0 302.545 0.884 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCC(=O)OC(C)(C)C ZINC000352714786 665230665 /nfs/dbraw/zinc/23/06/65/665230665.db2.gz UYJFLKYBBYQLGS-SNVBAGLBSA-N 0 0 302.396 0.756 10 0 DCAERN C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(F)(F)F ZINC000174933516 665309459 /nfs/dbraw/zinc/30/94/59/665309459.db2.gz ZMXUNSVGGHQQCO-LURJTMIESA-N 0 0 304.228 0.624 10 0 DCAERN CN(C)c1ccc(COC(=O)[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000183461214 666048445 /nfs/dbraw/zinc/04/84/45/666048445.db2.gz GFIKDDLZDSKBIA-JTQLQIEISA-N 0 0 307.306 0.840 10 0 DCAERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798507 666115654 /nfs/dbraw/zinc/11/56/54/666115654.db2.gz XIEWPMADUTVJNY-ZYHUDNBSSA-N 0 0 309.366 0.917 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NNc1c(F)cccc1Cl ZINC000184242259 666192418 /nfs/dbraw/zinc/19/24/18/666192418.db2.gz HPKKLBUZMWKLRD-ZETCQYMHSA-N 0 0 300.677 0.520 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccnn1C)CC2 ZINC000184730141 666267337 /nfs/dbraw/zinc/26/73/37/666267337.db2.gz HZZLXPSKXOFINX-LLVKDONJSA-N 0 0 317.397 0.431 10 0 DCAERN CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CC1(CO)CC1 ZINC000186791300 666596414 /nfs/dbraw/zinc/59/64/14/666596414.db2.gz LRMLDTCKQNYSLB-CQSZACIVSA-N 0 0 313.419 0.828 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000733881361 666823735 /nfs/dbraw/zinc/82/37/35/666823735.db2.gz DMDQNNWNJHEPCE-LJQANCHMSA-N 0 0 317.432 0.979 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000733899398 666824658 /nfs/dbraw/zinc/82/46/58/666824658.db2.gz HQFHCTURNWMYCA-LJQANCHMSA-N 0 0 319.404 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)CCc1ccc(C)cc1 ZINC000733893444 666827017 /nfs/dbraw/zinc/82/70/17/666827017.db2.gz WUPYYHSGPPSVFW-QFIPXVFZSA-N 0 0 324.446 0.929 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000734512447 666884708 /nfs/dbraw/zinc/88/47/08/666884708.db2.gz KDATWTILGYLYFP-LJQANCHMSA-N 0 0 319.408 0.224 10 0 DCAERN COC[C@H](NC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000735008155 666934625 /nfs/dbraw/zinc/93/46/25/666934625.db2.gz GZUDDAIVEGDKKU-ZDUSSCGKSA-N 0 0 317.345 0.202 10 0 DCAERN CC[S@@](=O)CCNc1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000735075474 666942394 /nfs/dbraw/zinc/94/23/94/666942394.db2.gz IYTQJUSVZLQXCB-XUSGNXJCSA-N 0 0 312.439 0.866 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000735091072 666950047 /nfs/dbraw/zinc/95/00/47/666950047.db2.gz VTCRSSLZFDADSQ-RRMDADRESA-N 0 0 319.471 0.554 10 0 DCAERN C[S@@](=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000735103281 666952893 /nfs/dbraw/zinc/95/28/93/666952893.db2.gz IUPOCZUDYJOTDW-XUSGNXJCSA-N 0 0 309.391 0.470 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(=O)OCc1ccccc1 ZINC000735111693 666954519 /nfs/dbraw/zinc/95/45/19/666954519.db2.gz ODBPEIJOBISWMS-NRFANRHFSA-N 0 0 312.391 0.798 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC(OCCOC)CC1 ZINC000735113447 666954767 /nfs/dbraw/zinc/95/47/67/666954767.db2.gz XXPRRNGMOMKIDR-FQEVSTJZSA-N 0 0 306.428 0.592 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccccc1COC ZINC000735197750 666966346 /nfs/dbraw/zinc/96/63/46/666966346.db2.gz ALANOUVPXPWWSY-OAQYLSRUSA-N 0 0 312.391 0.656 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000735202698 666968596 /nfs/dbraw/zinc/96/85/96/666968596.db2.gz ZTVQEXCVQVRWHB-OAQYLSRUSA-N 0 0 322.308 0.927 10 0 DCAERN CN(Cc1cnccn1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000735504928 666993691 /nfs/dbraw/zinc/99/36/91/666993691.db2.gz GMOBMPAJUOGESZ-UHFFFAOYSA-N 0 0 319.342 0.968 10 0 DCAERN COCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815983 666998876 /nfs/dbraw/zinc/99/88/76/666998876.db2.gz VIHUJQDVMVJZEQ-GHMZBOCLSA-N 0 0 302.371 0.367 10 0 DCAERN CCCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702816976 666999478 /nfs/dbraw/zinc/99/94/78/666999478.db2.gz RZEFZRNUWSTLGK-VXGBXAGGSA-N 0 0 316.398 0.757 10 0 DCAERN Cn1cncc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702819279 666999793 /nfs/dbraw/zinc/99/97/93/666999793.db2.gz OQVSSUYKKFGNBH-CMPLNLGQSA-N 0 0 324.381 0.378 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1cccc(-n2cncn2)c1 ZINC000735515781 667000008 /nfs/dbraw/zinc/00/00/08/667000008.db2.gz XQSCXWYVJAHAMK-QFIPXVFZSA-N 0 0 321.406 0.835 10 0 DCAERN COCc1nn(CN2CCC[C@H](Cc3noc(C)n3)C2)c(=O)o1 ZINC000119656601 667188979 /nfs/dbraw/zinc/18/89/79/667188979.db2.gz ASHZYAALYXHAMS-LLVKDONJSA-N 0 0 323.353 0.586 10 0 DCAERN COc1cncc(CNS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000704127101 667189794 /nfs/dbraw/zinc/18/97/94/667189794.db2.gz SKRFXBMWDKJJRE-UHFFFAOYSA-N 0 0 316.770 0.956 10 0 DCAERN CCOC(=O)CN(Cn1nc(CO)n(C)c1=S)C1CC1 ZINC000120430757 667312115 /nfs/dbraw/zinc/31/21/15/667312115.db2.gz SZUAGZSEBOKTLC-UHFFFAOYSA-N 0 0 300.384 0.428 10 0 DCAERN CCC(CC)(CNC(=O)[C@H](C)N1CCNCC1=O)SC ZINC000705765264 667375424 /nfs/dbraw/zinc/37/54/24/667375424.db2.gz AXVVXEZTPHNSNZ-NSHDSACASA-N 0 0 301.456 0.845 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@](C)(O)c1cccs1 ZINC000121611799 667404918 /nfs/dbraw/zinc/40/49/18/667404918.db2.gz REMZADWBMLWOSV-AWEZNQCLSA-N 0 0 307.375 0.823 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@](C)(O)c1ccsc1 ZINC000121628209 667405676 /nfs/dbraw/zinc/40/56/76/667405676.db2.gz LOZRFFQUJKRZQP-AWEZNQCLSA-N 0 0 307.375 0.823 10 0 DCAERN CC(C)[C@H]1CN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CCS1 ZINC000707348208 667437842 /nfs/dbraw/zinc/43/78/42/667437842.db2.gz QLPIRYQZZHRZDG-NWDGAFQWSA-N 0 0 320.480 0.363 10 0 DCAERN CCC[C@@H]1CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000708482239 667441907 /nfs/dbraw/zinc/44/19/07/667441907.db2.gz XVQBPIROFFDRLM-OLZOCXBDSA-N 0 0 302.440 0.802 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)S(=O)(=O)c1ncn(C)c1Cl ZINC000709504096 667445179 /nfs/dbraw/zinc/44/51/79/667445179.db2.gz NXBAIMDURRJJLP-VIFPVBQESA-N 0 0 322.818 0.025 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000709501486 667445330 /nfs/dbraw/zinc/44/53/30/667445330.db2.gz GVCJFWYKUCSSPE-SNVBAGLBSA-N 0 0 319.814 0.686 10 0 DCAERN CCN1C(=O)CN(CN2CCO[C@H](Cn3cc(C)cn3)C2)C1=O ZINC000122287112 667599354 /nfs/dbraw/zinc/59/93/54/667599354.db2.gz PDWDVYGKAMTSKC-ZDUSSCGKSA-N 0 0 321.381 0.134 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000135875888 667669053 /nfs/dbraw/zinc/66/90/53/667669053.db2.gz DEJGEXCBCDRXNO-GFCCVEGCSA-N 0 0 317.345 0.859 10 0 DCAERN COC(=O)C[C@H]1CCCCN1Cn1nc(C(=O)OC)ccc1=O ZINC000739840933 667721217 /nfs/dbraw/zinc/72/12/17/667721217.db2.gz BALYJLINMZZQHY-LLVKDONJSA-N 0 0 323.349 0.405 10 0 DCAERN CN1C(=O)C[C@@H](CNC(=O)C2(C)COC2)[C@@H]1c1ccncc1 ZINC000886031114 667725988 /nfs/dbraw/zinc/72/59/88/667725988.db2.gz PNXRHUQOGMMNQG-JSGCOSHPSA-N 0 0 303.362 0.754 10 0 DCAERN Cn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2cnnn2C)cn1 ZINC000886079090 667729606 /nfs/dbraw/zinc/72/96/06/667729606.db2.gz HPPFLVGNWCJTAZ-GXFFZTMASA-N 0 0 304.354 0.446 10 0 DCAERN CCn1nc(C)c(CN2CCC[C@@](O)(Cc3nncn3C)C2)n1 ZINC000886088297 667730781 /nfs/dbraw/zinc/73/07/81/667730781.db2.gz GHTAZNRJQXFBQH-OAHLLOKOSA-N 0 0 319.413 0.305 10 0 DCAERN Cn1ccnc1[C@@H]1[C@@H](C(=O)N2CCCCO2)CCC(=O)N1C ZINC000886088489 667731170 /nfs/dbraw/zinc/73/11/70/667731170.db2.gz YJUVBUNJICNVOZ-AAEUAGOBSA-N 0 0 306.366 0.884 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000717384275 667743590 /nfs/dbraw/zinc/74/35/90/667743590.db2.gz IJWQGGOQCWPKON-OIBJUYFYSA-N 0 0 301.726 0.583 10 0 DCAERN C[S@@](=O)CCN1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000741294806 667766471 /nfs/dbraw/zinc/76/64/71/667766471.db2.gz OYVBLGVMQFMPAP-OAQYLSRUSA-N 0 0 310.419 0.457 10 0 DCAERN C[S@](=O)CCN1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000741294802 667766781 /nfs/dbraw/zinc/76/67/81/667766781.db2.gz OYVBLGVMQFMPAP-NRFANRHFSA-N 0 0 310.419 0.457 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000741423016 667771088 /nfs/dbraw/zinc/77/10/88/667771088.db2.gz PINCNPOTWRQHOL-XUSGNXJCSA-N 0 0 314.411 0.952 10 0 DCAERN Cn1nccc1CCC(=O)OCCNC(=O)c1ccncc1 ZINC000123989938 667875709 /nfs/dbraw/zinc/87/57/09/667875709.db2.gz WQGPLWNEAXCFAC-UHFFFAOYSA-N 0 0 302.334 0.721 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2noc(C)n2)ncn1 ZINC000124047167 667891224 /nfs/dbraw/zinc/89/12/24/667891224.db2.gz VTLVLZHIYFMKGL-SNVBAGLBSA-N 0 0 317.353 0.609 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H](O)c2cccc(F)c2)CCN1CCO ZINC000187275206 668181507 /nfs/dbraw/zinc/18/15/07/668181507.db2.gz DTEAFBYLWJLTIW-WFASDCNBSA-N 0 0 310.369 0.774 10 0 DCAERN CC(C)CCN(C(=O)C[C@@H]1CS(=O)(=O)CCN1)C1CC1 ZINC000125178348 668227565 /nfs/dbraw/zinc/22/75/65/668227565.db2.gz YEWNRVYHYBBFJQ-GFCCVEGCSA-N 0 0 302.440 0.800 10 0 DCAERN CC(C)(C)S(=O)(=O)CCNC(=O)NCC1(CCO)CC1 ZINC000187331482 668388587 /nfs/dbraw/zinc/38/85/87/668388587.db2.gz KVPOCEIPQWKBPD-UHFFFAOYSA-N 0 0 306.428 0.662 10 0 DCAERN CCN(Cc1ccccc1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126478907 668601519 /nfs/dbraw/zinc/60/15/19/668601519.db2.gz FTYXQDNFCORANN-CQSZACIVSA-N 0 0 310.419 0.812 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2c(c1)CCO2 ZINC000126547657 668622742 /nfs/dbraw/zinc/62/27/42/668622742.db2.gz PZAQTMSACFSMLQ-GFCCVEGCSA-N 0 0 310.375 0.337 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCOc2ccccc21 ZINC000126669388 668640204 /nfs/dbraw/zinc/64/02/04/668640204.db2.gz PXQURVYPMHXEME-NSHDSACASA-N 0 0 310.375 0.189 10 0 DCAERN CCC1CCC(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000126686700 668645802 /nfs/dbraw/zinc/64/58/02/668645802.db2.gz ZXDMOSKTTOAQFN-WXRRBKDZSA-N 0 0 302.440 0.848 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1ccc(Cl)nc1 ZINC000126708303 668646268 /nfs/dbraw/zinc/64/62/68/668646268.db2.gz HRTRWUZNWIGRNP-UHFFFAOYSA-N 0 0 301.759 0.695 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000126710455 668646823 /nfs/dbraw/zinc/64/68/23/668646823.db2.gz RFWTZEUPVLCFIY-MCIONIFRSA-N 0 0 308.403 0.435 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000126751134 668654395 /nfs/dbraw/zinc/65/43/95/668654395.db2.gz PEHQCVHIBJHWPP-SSDOTTSWSA-N 0 0 304.133 0.715 10 0 DCAERN CC1CCC(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126764060 668656415 /nfs/dbraw/zinc/65/64/15/668656415.db2.gz NCTATIQHNXEQCZ-BPCQOVAHSA-N 0 0 302.440 0.706 10 0 DCAERN C[C@@H]1CN(C(=O)NCC[S@@](=O)C(C)(C)C)CCS1(=O)=O ZINC000126896353 668682318 /nfs/dbraw/zinc/68/23/18/668682318.db2.gz YMKRLBKYWKCKLI-DGIBIBHMSA-N 0 0 324.468 0.362 10 0 DCAERN C[C@H](NC(=O)[C@H](C)N1CCN(C)[C@H](CO)C1)c1ccccc1 ZINC000931412491 669199294 /nfs/dbraw/zinc/19/92/94/669199294.db2.gz HZYFUCZLXUOCKK-DZKIICNBSA-N 0 0 305.422 0.861 10 0 DCAERN Cc1cc2nccc(NC(=O)NC[C@H]3CC(=O)N(C)C3)n2n1 ZINC000932454589 669367671 /nfs/dbraw/zinc/36/76/71/669367671.db2.gz LNRIEYYRLPGTMI-SNVBAGLBSA-N 0 0 302.338 0.638 10 0 DCAERN Cc1ccc(N2CCC[C@@H]2COC(=O)[C@H]2CNC(=O)C2)nn1 ZINC000129981694 669576890 /nfs/dbraw/zinc/57/68/90/669576890.db2.gz ZLQGXHKNFIHGJT-VXGBXAGGSA-N 0 0 304.350 0.433 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CCN1CCO ZINC000187263562 669717900 /nfs/dbraw/zinc/71/79/00/669717900.db2.gz SBTQWNQJLDMWKP-CJNGLKHVSA-N 0 0 317.389 0.705 10 0 DCAERN CCN1C(=S)N=NC1CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000155564711 669833874 /nfs/dbraw/zinc/83/38/74/669833874.db2.gz OGAFSZPKSRAZBG-UHFFFAOYSA-N 0 0 308.367 0.217 10 0 DCAERN CS(=O)(=O)NCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000044329315 669838258 /nfs/dbraw/zinc/83/82/58/669838258.db2.gz QTTLTBLLUUIFNQ-JXMROGBWSA-N 0 0 304.393 0.126 10 0 DCAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000157849382 669923663 /nfs/dbraw/zinc/92/36/63/669923663.db2.gz RVZYQBMZVGBZJA-UPJWGTAASA-N 0 0 302.440 0.800 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)CC(=O)NC1CC1 ZINC000047331848 669927315 /nfs/dbraw/zinc/92/73/15/669927315.db2.gz YJXSMBWMOUUDGT-UHFFFAOYSA-N 0 0 320.802 0.281 10 0 DCAERN CC(C)C[C@H]1NC(=O)N(CN2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000191423096 670021574 /nfs/dbraw/zinc/02/15/74/670021574.db2.gz ZBNLYGUZXFNKGC-BXKDBHETSA-N 0 0 323.315 0.910 10 0 DCAERN COCCN1CCCN(CN2C(=O)C(C)(C)C2(C)C)CC1=O ZINC000189279336 670106807 /nfs/dbraw/zinc/10/68/07/670106807.db2.gz OBPNNDUPLMBBHY-UHFFFAOYSA-N 0 0 311.426 0.772 10 0 DCAERN CCN1CCO[C@@H](CNCc2cn(C)nc2Br)C1 ZINC000712469847 670149706 /nfs/dbraw/zinc/14/97/06/670149706.db2.gz JZLTYZQCJKCYQR-NSHDSACASA-N 0 0 317.231 0.993 10 0 DCAERN CO[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000713191263 670153788 /nfs/dbraw/zinc/15/37/88/670153788.db2.gz QZHFILOKLOGQPM-UONOGXRCSA-N 0 0 306.362 0.867 10 0 DCAERN Cn1cc(CN2CCN(C)C[C@@H]2CO)c(Br)n1 ZINC000714097632 670178434 /nfs/dbraw/zinc/17/84/34/670178434.db2.gz TYURJLLNKWKAPQ-SNVBAGLBSA-N 0 0 303.204 0.291 10 0 DCAERN O=C(NCC[C@H]1CCCS1(=O)=O)c1nccnc1Cl ZINC000714364475 670185182 /nfs/dbraw/zinc/18/51/82/670185182.db2.gz AGZFWBRPXYGUJK-MRVPVSSYSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccncc2Br)C1 ZINC000714491604 670190368 /nfs/dbraw/zinc/19/03/68/670190368.db2.gz UKINETBYHHXIBQ-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1cnn(C)c1Br ZINC000716877971 670275342 /nfs/dbraw/zinc/27/53/42/670275342.db2.gz BDUHDGANHVFMCX-SNVBAGLBSA-N 0 0 306.160 0.310 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190277564 670408275 /nfs/dbraw/zinc/40/82/75/670408275.db2.gz XLXYUNKAUNNVOL-WCQYABFASA-N 0 0 322.413 0.686 10 0 DCAERN COC[C@H](C)C(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000103815564 670953673 /nfs/dbraw/zinc/95/36/73/670953673.db2.gz SHANZJPKOMGDIO-NSHDSACASA-N 0 0 320.345 0.906 10 0 DCAERN C[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)N1CCOCC1 ZINC000116940533 671145029 /nfs/dbraw/zinc/14/50/29/671145029.db2.gz NZTUIGVMJCLDIU-LAJNKCICSA-N 0 0 319.471 0.554 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000117864223 671253489 /nfs/dbraw/zinc/25/34/89/671253489.db2.gz FDAAKJQTQKHAIP-CYBMUJFWSA-N 0 0 321.406 0.526 10 0 DCAERN CCNc1ncc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc1Cl ZINC000398367182 1158117639 /nfs/dbraw/zinc/11/76/39/1158117639.db2.gz OEHXYVBSCRHGIV-SSDOTTSWSA-N 0 0 320.802 0.574 10 0 DCAERN Cn1ncc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000389862576 685258597 /nfs/dbraw/zinc/25/85/97/685258597.db2.gz FETWPPXQFALJSU-UHFFFAOYSA-N 0 0 322.177 0.995 10 0 DCAERN CN(C)C(=O)c1cc(NCC(=O)NCC(F)(F)F)ccn1 ZINC000393707535 685264598 /nfs/dbraw/zinc/26/45/98/685264598.db2.gz RGMGOKNWKYAPGP-UHFFFAOYSA-N 0 0 304.272 0.296 10 0 DCAERN Cn1cc(Br)c(CNC(=O)[C@H]2CSC(=O)N2)n1 ZINC000393636758 685264645 /nfs/dbraw/zinc/26/46/45/685264645.db2.gz XKYAJWJYIUUPME-SSDOTTSWSA-N 0 0 319.184 0.624 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2cccnc2Cl)CCN1 ZINC000396741101 685270960 /nfs/dbraw/zinc/27/09/60/685270960.db2.gz QCMOSZHOUKBKGS-QMMMGPOBSA-N 0 0 303.771 0.682 10 0 DCAERN C[C@@H]1CO[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 ZINC000718557885 685305485 /nfs/dbraw/zinc/30/54/85/685305485.db2.gz HRYLCHJSGYXFEF-IONNQARKSA-N 0 0 304.393 0.437 10 0 DCAERN CCC[C@@H](NC[C@]1(OC)CCS(=O)(=O)C1)C(=O)OCC ZINC000720874929 685316319 /nfs/dbraw/zinc/31/63/19/685316319.db2.gz RABHHWOUEQGSHV-DGCLKSJQSA-N 0 0 307.412 0.512 10 0 DCAERN CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720480576 685312967 /nfs/dbraw/zinc/31/29/67/685312967.db2.gz DOEIWFHNSTVWDS-QWRGUYRKSA-N 0 0 301.412 0.682 10 0 DCAERN CO[C@@]1(CNCc2c(Cl)cnn2C)CCS(=O)(=O)C1 ZINC000721229648 685318446 /nfs/dbraw/zinc/31/84/46/685318446.db2.gz NJOGDRHKAZOGCS-LLVKDONJSA-N 0 0 307.803 0.367 10 0 DCAERN CCOc1cc(NCC[C@@H]2CNCCS2(=O)=O)ncn1 ZINC000721807865 685319173 /nfs/dbraw/zinc/31/91/73/685319173.db2.gz QAEPJLDHONBVMC-SNVBAGLBSA-N 0 0 300.384 0.064 10 0 DCAERN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CCS(C)(=O)=O ZINC000087887694 685091324 /nfs/dbraw/zinc/09/13/24/685091324.db2.gz YGCUUXBIWXENDI-SNVBAGLBSA-N 0 0 310.375 0.791 10 0 DCAERN Cc1cc(C)cc([C@H](O)CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000097987024 685113972 /nfs/dbraw/zinc/11/39/72/685113972.db2.gz BHXPXPJQLUUBDM-OAHLLOKOSA-N 0 0 312.435 0.914 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)CNC(=O)c2ccccn2)c1 ZINC000178052319 685150393 /nfs/dbraw/zinc/15/03/93/685150393.db2.gz JPNFKHLVAYLEDM-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CSC(=O)N1 ZINC000246779700 685166375 /nfs/dbraw/zinc/16/63/75/685166375.db2.gz CAHZCTBTEFXOFF-HTQZYQBOSA-N 0 0 311.329 0.812 10 0 DCAERN CC(C)C[C@H]1NC(=O)N(CN2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000249392796 685179573 /nfs/dbraw/zinc/17/95/73/685179573.db2.gz ZBNLYGUZXFNKGC-SKDRFNHKSA-N 0 0 323.315 0.910 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)OCC ZINC000250285853 685185006 /nfs/dbraw/zinc/18/50/06/685185006.db2.gz ZSWDTAJXEFONLT-GHMZBOCLSA-N 0 0 320.411 0.258 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)C2CN(C(C)=O)C2)cn1 ZINC000276477008 685194991 /nfs/dbraw/zinc/19/49/91/685194991.db2.gz QFPRDZGXAZDTCN-DZGCQCFKSA-N 0 0 319.361 0.515 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)c(C)s1 ZINC000090014873 1157515803 /nfs/dbraw/zinc/51/58/03/1157515803.db2.gz SCWGGGUVGAXNMC-QMMMGPOBSA-N 0 0 302.377 0.448 10 0 DCAERN O=C(c1coc(Br)c1)N1CC[C@H](O)[C@H](CO)C1 ZINC000396793599 1157939891 /nfs/dbraw/zinc/93/98/91/1157939891.db2.gz CJIVSPBHSJZBFE-IUCAKERBSA-N 0 0 304.140 0.857 10 0 DCAERN CON(C)C(=O)CNC(=O)c1cccnc1Br ZINC000397460240 1158099974 /nfs/dbraw/zinc/09/99/74/1158099974.db2.gz BDPSBAKDKUFYHV-UHFFFAOYSA-N 0 0 302.128 0.594 10 0 DCAERN C[C@@H](CCCCO)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000398731842 1158130579 /nfs/dbraw/zinc/13/05/79/1158130579.db2.gz MRIRVCOJOROSHA-NWDGAFQWSA-N 0 0 306.428 0.468 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)CN2C(=O)CNC2=O)cc1 ZINC000129938440 1158344997 /nfs/dbraw/zinc/34/49/97/1158344997.db2.gz URDZRGMMQMBGNV-LBPRGKRZSA-N 0 0 303.362 0.936 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC1CCN(C(C)=O)CC1)C1CCCC1 ZINC000043751883 1171552411 /nfs/dbraw/zinc/55/24/11/1171552411.db2.gz RUETWFWXNCZLCN-OAHLLOKOSA-N 0 0 309.410 0.808 10 0 DCAERN C[C@@]1(NC(=O)Cn2nnc3ccccc32)CCS(=O)(=O)C1 ZINC000069755555 1173806777 /nfs/dbraw/zinc/80/67/77/1173806777.db2.gz VBYVOWFTMVQTED-CYBMUJFWSA-N 0 0 308.363 0.125 10 0 DCAERN COCCOCC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000074129330 1173920460 /nfs/dbraw/zinc/92/04/60/1173920460.db2.gz FZXMLYACHWBEMX-UHFFFAOYSA-N 0 0 324.352 0.773 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)c2sc3ncccc3c2N)C1=O ZINC000088780587 1175277110 /nfs/dbraw/zinc/27/71/10/1175277110.db2.gz PBFOMYSNZAIATC-SSDOTTSWSA-N 0 0 304.331 0.366 10 0 DCAERN Cc1nc(CSCC(=O)N[C@H]2CCC(=O)NC2=O)cs1 ZINC000089754833 1175343748 /nfs/dbraw/zinc/34/37/48/1175343748.db2.gz MJBCNCIFDMZDEK-VIFPVBQESA-N 0 0 313.404 0.606 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)[C@@H](O)C2)c1CC ZINC000090147023 1175384573 /nfs/dbraw/zinc/38/45/73/1175384573.db2.gz UCQBUQWBUSEYIP-HZMBPMFUSA-N 0 0 322.409 0.807 10 0 DCAERN CC(C)C(=O)NCCN(C)C(=O)Cn1c2ccccc2oc1=O ZINC000127993955 1177334381 /nfs/dbraw/zinc/33/43/81/1177334381.db2.gz LCNGMGRCBYZQOO-UHFFFAOYSA-N 0 0 319.361 0.825 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)N1CCN(c2cccnn2)CC1 ZINC000152209872 1180543942 /nfs/dbraw/zinc/54/39/42/1180543942.db2.gz MTZIXASHUCBESR-UHFFFAOYSA-N 0 0 313.365 0.294 10 0 DCAERN CCN(CC(N)=O)C(=O)c1cc(Br)ccc1N ZINC000231823898 1180558140 /nfs/dbraw/zinc/55/81/40/1180558140.db2.gz DJCZSVAFIDBSQW-UHFFFAOYSA-N 0 0 300.156 0.979 10 0 DCAERN CCCn1nc(C(=O)NCCCNC(=O)C(C)C)ccc1=O ZINC000158503360 1180563518 /nfs/dbraw/zinc/56/35/18/1180563518.db2.gz QMHZOAMRQVCETG-UHFFFAOYSA-N 0 0 308.382 0.545 10 0 DCAERN COc1ccccc1OCC(=O)NCCNC(=O)[C@H]1CCCO1 ZINC000169842443 1183610203 /nfs/dbraw/zinc/61/02/03/1183610203.db2.gz LTLHNEKXGHUMSM-CQSZACIVSA-N 0 0 322.361 0.485 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCc1nc(C(C)C)no1 ZINC000176589780 1184190291 /nfs/dbraw/zinc/19/02/91/1184190291.db2.gz CKJLSMHVJWDWDU-UHFFFAOYSA-N 0 0 318.399 0.133 10 0 DCAERN C[C@@]1(c2cccc(CNC(=O)NCCCF)c2)NC(=O)NC1=O ZINC000178364096 1184457668 /nfs/dbraw/zinc/45/76/68/1184457668.db2.gz ZPIJPXNTDZHTKX-HNNXBMFYSA-N 0 0 322.340 0.900 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cn2cccc(C)c2=O)CC1 ZINC000180177097 1185169839 /nfs/dbraw/zinc/16/98/39/1185169839.db2.gz FQGZISCCTGDZJR-UHFFFAOYSA-N 0 0 305.378 0.531 10 0 DCAERN Cc1nnc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C ZINC000180077513 1185170079 /nfs/dbraw/zinc/17/00/79/1185170079.db2.gz BIODFNOSPQXGHB-VIFPVBQESA-N 0 0 309.395 0.622 10 0 DCAERN CC(=O)N1CCC(NC(=O)CN[C@@H](C)c2ccccn2)CC1 ZINC000181358539 1185180004 /nfs/dbraw/zinc/18/00/04/1185180004.db2.gz NDNFYUYXRONIAY-LBPRGKRZSA-N 0 0 304.394 0.859 10 0 DCAERN CN1C(=O)c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3O)cc2C1=O ZINC000269671214 1185969185 /nfs/dbraw/zinc/96/91/85/1185969185.db2.gz AFWIVOZTQWOBCE-RYUDHWBXSA-N 0 0 324.358 0.104 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N1CCC(c2ccncc2)CC1 ZINC000192278750 1187961427 /nfs/dbraw/zinc/96/14/27/1187961427.db2.gz SRYZIIIANWYCGB-LBPRGKRZSA-N 0 0 302.334 0.386 10 0 DCAERN CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000400315602 1189988030 /nfs/dbraw/zinc/98/80/30/1189988030.db2.gz ZTWLTNSKCBVNAS-VIFPVBQESA-N 0 0 317.798 0.686 10 0 DCAERN CCOCCN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307898571 1190385334 /nfs/dbraw/zinc/38/53/34/1190385334.db2.gz DBIUIRSXLMFSDG-UHFFFAOYSA-N 0 0 300.380 0.781 10 0 DCAERN C[S@@](=O)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307903308 1190385520 /nfs/dbraw/zinc/38/55/20/1190385520.db2.gz KDNNKKNEZVYBIM-LJQANCHMSA-N 0 0 318.420 0.171 10 0 DCAERN CC(C)(CNc1nc(N)nc(C(F)(F)F)n1)S(C)(=O)=O ZINC000312312487 1190393931 /nfs/dbraw/zinc/39/39/31/1190393931.db2.gz WAMXYRGTAUNRMV-UHFFFAOYSA-N 0 0 313.305 0.708 10 0 DCAERN Cc1nnc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)[nH]1 ZINC000392559939 1190701182 /nfs/dbraw/zinc/70/11/82/1190701182.db2.gz KQBKKWMAFJQGCL-UHFFFAOYSA-N 0 0 305.722 0.779 10 0 DCAERN Cn1cc(/C=C\C(=O)OCCC[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000588449017 747308282 /nfs/dbraw/zinc/30/82/82/747308282.db2.gz WMDSBOJBPAFQDZ-WSROAFLRSA-N 0 0 322.361 0.600 10 0 DCAERN Nc1c(C(=O)NCCS(N)(=O)=O)cccc1C(F)(F)F ZINC000094598589 752690589 /nfs/dbraw/zinc/69/05/89/752690589.db2.gz KWZYOPNUEXAEDP-UHFFFAOYSA-N 0 0 311.285 0.306 10 0 DCAERN CN(CC(=O)N1CCC(c2ccn(C)n2)CC1)S(C)(=O)=O ZINC000585387280 768081379 /nfs/dbraw/zinc/08/13/79/768081379.db2.gz AGFYTGLLOXCLOE-UHFFFAOYSA-N 0 0 314.411 0.018 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C2CCN(S(C)(=O)=O)CC2)C1=O ZINC000585672351 768087137 /nfs/dbraw/zinc/08/71/37/768087137.db2.gz ASUFTPODQKTDGX-BYCRGOAPSA-N 0 0 315.395 0.297 10 0 DCAERN O=C(NCCNC(=S)NC[C@@H]1CCCO1)c1cccnc1 ZINC000586399877 768113777 /nfs/dbraw/zinc/11/37/77/768113777.db2.gz LVLKJGAITPWZPW-LBPRGKRZSA-N 0 0 308.407 0.455 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2F)C1 ZINC000401871699 774069505 /nfs/dbraw/zinc/06/95/05/774069505.db2.gz YWVSWQQCLRJRIK-VIFPVBQESA-N 0 0 301.343 0.367 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)NCC[C@]1(O)CCOC1 ZINC000404173982 774125102 /nfs/dbraw/zinc/12/51/02/774125102.db2.gz ZMQSOKROLXHCNV-ZDUSSCGKSA-N 0 0 300.380 0.397 10 0 DCAERN CC(C)O[C@@H]1CCCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000404527255 774135337 /nfs/dbraw/zinc/13/53/37/774135337.db2.gz UFWIVVVQCSLHHJ-SNVBAGLBSA-N 0 0 300.384 0.467 10 0 DCAERN CCOC(CC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)OCC ZINC000407364912 774255568 /nfs/dbraw/zinc/25/55/68/774255568.db2.gz RVPQJWDCNDUNED-QWRGUYRKSA-N 0 0 307.412 0.810 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N1C[C@H](O)[C@H](CO)C1 ZINC000316235605 774935568 /nfs/dbraw/zinc/93/55/68/774935568.db2.gz UYSQOOMXWCPWHU-ILBNWAPMSA-N 0 0 317.794 0.926 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@H](CO)[C@H](O)C1 ZINC000316616092 774966190 /nfs/dbraw/zinc/96/61/90/774966190.db2.gz AWJFKXJQCYCLTE-VXNVDRBHSA-N 0 0 301.140 0.269 10 0 DCAERN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000398459452 939213147 /nfs/dbraw/zinc/21/31/47/939213147.db2.gz BEBVESABLUFLSE-SSDOTTSWSA-N 0 0 321.761 0.631 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1nccnc1Cl ZINC000708243545 939399501 /nfs/dbraw/zinc/39/95/01/939399501.db2.gz XZYVEIZGZYVVTJ-UHFFFAOYSA-N 0 0 306.775 0.188 10 0 DCAERN COC(=O)[C@@H](C)CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000181228590 199268343 /nfs/dbraw/zinc/26/83/43/199268343.db2.gz MGMXVORZAVXGTI-NWDGAFQWSA-N 0 0 308.382 0.683 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@@H](C)C2 ZINC000181231681 199268684 /nfs/dbraw/zinc/26/86/84/199268684.db2.gz IHDYCGZDSHAWSQ-MEDUHNTESA-N 0 0 313.357 0.895 10 0 DCAERN Cn1c(=O)cc(C(=O)NCCN2CCOCC2)c2ccccc21 ZINC000074715029 185011746 /nfs/dbraw/zinc/01/17/46/185011746.db2.gz JMZYAXDSQNRYQM-UHFFFAOYSA-N 0 0 315.373 0.601 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000407990921 290612681 /nfs/dbraw/zinc/61/26/81/290612681.db2.gz RIFKOVATZBCVEU-WDEREUQCSA-N 0 0 306.370 0.341 10 0 DCAERN [NH3+]CCS[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000095611876 185382784 /nfs/dbraw/zinc/38/27/84/185382784.db2.gz PAXABHBBIOIEPE-SNVBAGLBSA-N 0 0 310.331 0.414 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000173861555 529387515 /nfs/dbraw/zinc/38/75/15/529387515.db2.gz YHTNXLQKOHVKHU-CQSZACIVSA-N 0 0 320.455 0.131 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000407951003 282153801 /nfs/dbraw/zinc/15/38/01/282153801.db2.gz MTLBVJALDSHALU-VIFPVBQESA-N 0 0 304.334 0.267 10 0 DCAERN Cc1nc2cncc(N3CCN(c4ncc(F)cn4)CC3)n2n1 ZINC000328627244 231257738 /nfs/dbraw/zinc/25/77/38/231257738.db2.gz FXURMZIBRHXANX-UHFFFAOYSA-N 0 0 314.328 0.688 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n(C)n1 ZINC000155759010 529538837 /nfs/dbraw/zinc/53/88/37/529538837.db2.gz DWXLXHQIXKXBTC-NXEZZACHSA-N 0 0 321.381 0.033 10 0 DCAERN CCCn1cc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000181311592 199279807 /nfs/dbraw/zinc/27/98/07/199279807.db2.gz BADNRYHLQONUAJ-AWEZNQCLSA-N 0 0 322.409 0.906 10 0 DCAERN CCC(CC)[C@@H](C(=O)N1CCNC(=O)CC1)N1CCOCC1 ZINC000173508603 282221128 /nfs/dbraw/zinc/22/11/28/282221128.db2.gz HUXDUJNPWDAGHR-HNNXBMFYSA-N 0 0 311.426 0.472 10 0 DCAERN COc1cccc(C(=O)NC[C@@H](O)CN2CCOCC2)c1F ZINC000090165919 185284289 /nfs/dbraw/zinc/28/42/89/185284289.db2.gz JHIBUXSIHAURES-LLVKDONJSA-N 0 0 312.341 0.257 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000286603592 219077460 /nfs/dbraw/zinc/07/74/60/219077460.db2.gz UZAQWHIUQOYWKU-JTQLQIEISA-N 0 0 304.325 0.798 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC1(C)Cc2ccccc2C1 ZINC000092613073 185328710 /nfs/dbraw/zinc/32/87/10/185328710.db2.gz WPNPVVXCIYQESB-UHFFFAOYSA-N 0 0 310.419 0.942 10 0 DCAERN CCc1nc(CN2CCN(Cc3nnnn3C(C)C)CC2)no1 ZINC000177303272 529736779 /nfs/dbraw/zinc/73/67/79/529736779.db2.gz YCBLKPNCVPBKFQ-UHFFFAOYSA-N 0 0 320.401 0.517 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCn3ncnc32)C[C@@H](C)O1 ZINC000097013440 185397047 /nfs/dbraw/zinc/39/70/47/185397047.db2.gz FLGRMXIHKJGBSB-GMTAPVOTSA-N 0 0 315.399 0.057 10 0 DCAERN CN(C)c1nc(CN2CCN(c3ncccn3)CC2)ns1 ZINC000163694383 529802157 /nfs/dbraw/zinc/80/21/57/529802157.db2.gz LCAVADZAINEBEU-UHFFFAOYSA-N 0 0 305.411 0.716 10 0 DCAERN CN(C)c1ncc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cn1 ZINC000299740470 529808423 /nfs/dbraw/zinc/80/84/23/529808423.db2.gz AXMRJTJHWURDOR-NXEZZACHSA-N 0 0 317.315 0.638 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@@H]2CC(=O)OC)cs1 ZINC000179150306 529874424 /nfs/dbraw/zinc/87/44/24/529874424.db2.gz JUIDOHOLQJJGAN-LLVKDONJSA-N 0 0 311.407 0.959 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(C)C ZINC000178839465 529896542 /nfs/dbraw/zinc/89/65/42/529896542.db2.gz NCRGVHRTINZVKR-ZDUSSCGKSA-N 0 0 316.365 0.227 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C(C)C ZINC000178848166 529898597 /nfs/dbraw/zinc/89/85/97/529898597.db2.gz BUPSXYZJKRWWEE-LBPRGKRZSA-N 0 0 323.397 0.394 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000179499707 529900023 /nfs/dbraw/zinc/90/00/23/529900023.db2.gz HWLSCRMUFFNHQU-WXRRBKDZSA-N 0 0 310.394 0.950 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCCNC(=O)C1CCC1)C(C)C ZINC000178457645 529919651 /nfs/dbraw/zinc/91/96/51/529919651.db2.gz NDOTYECSEISTFE-GFCCVEGCSA-N 0 0 312.414 0.363 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000179499718 529921726 /nfs/dbraw/zinc/92/17/26/529921726.db2.gz HWLSCRMUFFNHQU-BPCQOVAHSA-N 0 0 310.394 0.950 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188439575 529948949 /nfs/dbraw/zinc/94/89/49/529948949.db2.gz GZSBMBUAOWHAND-GFCCVEGCSA-N 0 0 320.393 0.577 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000188968824 530015614 /nfs/dbraw/zinc/01/56/14/530015614.db2.gz XRJDYMAESIVZOK-NSCUHMNNSA-N 0 0 300.355 0.894 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)CCO1 ZINC000107237908 185473046 /nfs/dbraw/zinc/47/30/46/185473046.db2.gz JLZJHLBMOLFRGX-LLVKDONJSA-N 0 0 302.290 0.063 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)N2CCCC2)CC[S@]1=O ZINC000408271256 282375820 /nfs/dbraw/zinc/37/58/20/282375820.db2.gz VKNSKWVJWIATPT-SFHVURJKSA-N 0 0 308.469 0.950 10 0 DCAERN O=C(CNC(=O)NCCCc1ccccn1)N1CCOCC1 ZINC000181700449 199341359 /nfs/dbraw/zinc/34/13/59/199341359.db2.gz ZNWITXOUDQHEQJ-UHFFFAOYSA-N 0 0 306.366 0.172 10 0 DCAERN Cc1ncc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)n1 ZINC000181713678 199342950 /nfs/dbraw/zinc/34/29/50/199342950.db2.gz MSIRROXDPXECSS-CQSZACIVSA-N 0 0 320.393 0.707 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000272728483 210131623 /nfs/dbraw/zinc/13/16/23/210131623.db2.gz AMTBQBQLHYPYMW-QWHCGFSZSA-N 0 0 324.764 0.617 10 0 DCAERN CNS(=O)(=O)CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000188912097 290751075 /nfs/dbraw/zinc/75/10/75/290751075.db2.gz MMRFENXOLQBTNQ-NSHDSACASA-N 0 0 312.391 0.608 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000359277282 290754113 /nfs/dbraw/zinc/75/41/13/290754113.db2.gz NMKBKHQMKUJWPQ-ZDUSSCGKSA-N 0 0 321.443 0.166 10 0 DCAERN Cc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C)n1 ZINC000108947057 185542050 /nfs/dbraw/zinc/54/20/50/185542050.db2.gz KXYVKKMKSMVGKC-UHFFFAOYSA-N 0 0 310.365 0.858 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@H]1CN(C)CCO1 ZINC000286824028 219184321 /nfs/dbraw/zinc/18/43/21/219184321.db2.gz JCMFNCZLEURZEF-JTQLQIEISA-N 0 0 319.814 0.652 10 0 DCAERN CN(Cc1ncnn1C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279751877 215115266 /nfs/dbraw/zinc/11/52/66/215115266.db2.gz QICIPJFTUHWAKD-JSGCOSHPSA-N 0 0 321.404 0.593 10 0 DCAERN COc1ccccc1OCC(=O)N(C)C[C@@H]1CN(C)CCO1 ZINC000074774724 545671718 /nfs/dbraw/zinc/67/17/18/545671718.db2.gz KRUYEGRXWVFSOD-ZDUSSCGKSA-N 0 0 308.378 0.863 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCC[C@@H]3CCCO3)cc2[nH]1 ZINC000074850722 545673522 /nfs/dbraw/zinc/67/35/22/545673522.db2.gz IIIONEROZXQSKZ-VIFPVBQESA-N 0 0 311.363 0.704 10 0 DCAERN O=C(N[C@@H]1CCc2ccccc2C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000268152052 295795273 /nfs/dbraw/zinc/79/52/73/295795273.db2.gz WZUGCEXXPPGFEY-CABCVRRESA-N 0 0 314.389 0.963 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000247650359 295798430 /nfs/dbraw/zinc/79/84/30/295798430.db2.gz WHQKHEXQHMTLTA-GRYCIOLGSA-N 0 0 318.381 0.046 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NCCOCCO ZINC000071697712 191007928 /nfs/dbraw/zinc/00/79/28/191007928.db2.gz BEKLDNDUTVEUFA-UHFFFAOYSA-N 0 0 303.156 0.770 10 0 DCAERN C[C@H]1CN(c2cc(=O)n3ccccc3n2)C[C@@H]1N1CCOCC1 ZINC000176702956 290888401 /nfs/dbraw/zinc/88/84/01/290888401.db2.gz SWZOEQZSLQTJPK-KBPBESRZSA-N 0 0 314.389 0.851 10 0 DCAERN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]2C)c1 ZINC000171074093 197874456 /nfs/dbraw/zinc/87/44/56/197874456.db2.gz ZXAMDBPLDLUZEU-MFKMUULPSA-N 0 0 312.391 0.750 10 0 DCAERN CCCN(CC(=O)OC)C(=O)Cn1cnc2ccccc2c1=O ZINC000171536711 186171314 /nfs/dbraw/zinc/17/13/14/186171314.db2.gz PRSKFQVMXFKDBL-UHFFFAOYSA-N 0 0 317.345 0.808 10 0 DCAERN Cc1ccn2ncc(C(=O)NC(C)(C)CCS(C)(=O)=O)c2n1 ZINC000173303986 186174435 /nfs/dbraw/zinc/17/44/35/186174435.db2.gz YTUBOGUDOINGLS-UHFFFAOYSA-N 0 0 324.406 0.981 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000177893177 186200393 /nfs/dbraw/zinc/20/03/93/186200393.db2.gz CAONGBHSNQCRHX-SNVBAGLBSA-N 0 0 323.296 0.916 10 0 DCAERN C[C@H](CNC(=O)Nc1cccc(N(C)C)n1)N1CCOCC1 ZINC000181932646 186220661 /nfs/dbraw/zinc/22/06/61/186220661.db2.gz VQYTVHNSYXVAAG-GFCCVEGCSA-N 0 0 307.398 0.990 10 0 DCAERN CCC1(CC)CN(C(=O)c2ccc(C(N)=O)nc2)CC[S@@]1=O ZINC000183864368 186225125 /nfs/dbraw/zinc/22/51/25/186225125.db2.gz CKYZCOWHFBZJDL-QFIPXVFZSA-N 0 0 323.418 0.944 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1=O ZINC000264252060 186328195 /nfs/dbraw/zinc/32/81/95/186328195.db2.gz RFIGXZGHTISZOX-ZDUSSCGKSA-N 0 0 317.389 0.764 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N[C@@H]1CCc2ccccc2C1 ZINC000265135262 186335189 /nfs/dbraw/zinc/33/51/89/186335189.db2.gz ZXKPMURYLFVSFL-CQSZACIVSA-N 0 0 315.373 0.992 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@@H](c2nccs2)C1)C(=O)N(C)C ZINC000171901611 198005098 /nfs/dbraw/zinc/00/50/98/198005098.db2.gz QFHJRTJRXPKRAJ-VHSXEESVSA-N 0 0 312.395 0.703 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000172023619 198027508 /nfs/dbraw/zinc/02/75/08/198027508.db2.gz WLZAGYHKZZRMEA-GFCCVEGCSA-N 0 0 323.368 0.986 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000172034978 198029725 /nfs/dbraw/zinc/02/97/25/198029725.db2.gz SCKRCYLUEPDFDE-LLVKDONJSA-N 0 0 318.420 0.307 10 0 DCAERN C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C1CCCC1 ZINC000172136888 198045201 /nfs/dbraw/zinc/04/52/01/198045201.db2.gz UYBBIYKLILHLBN-SNVBAGLBSA-N 0 0 314.411 0.616 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CC1 ZINC000172219649 198060043 /nfs/dbraw/zinc/06/00/43/198060043.db2.gz AMHAKHPDZNMQAW-ZDUSSCGKSA-N 0 0 303.362 0.081 10 0 DCAERN CN1C[C@H](NC(=O)NCCc2cccc(C(N)=O)c2)CCC1=O ZINC000172372416 198086777 /nfs/dbraw/zinc/08/67/77/198086777.db2.gz JRAMKWSLRWYHNI-CYBMUJFWSA-N 0 0 318.377 0.248 10 0 DCAERN CCCc1cc(N2CCS(=O)(=O)[C@H](C)C2)n2ncnc2n1 ZINC000172372434 198087117 /nfs/dbraw/zinc/08/71/17/198087117.db2.gz KTPIFKFIXGIAFZ-SNVBAGLBSA-N 0 0 309.395 0.700 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NCCCNc1ccccn1 ZINC000172553957 198114842 /nfs/dbraw/zinc/11/48/42/198114842.db2.gz KRFSBXOIEPHARN-UHFFFAOYSA-N 0 0 313.361 0.825 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1ccccn1)C(=O)NC(C)(C)C ZINC000172525363 198109842 /nfs/dbraw/zinc/10/98/42/198109842.db2.gz FNSABVUBTSAOFJ-SNVBAGLBSA-N 0 0 306.366 0.231 10 0 DCAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)C(=O)N(C)C ZINC000172548417 198112980 /nfs/dbraw/zinc/11/29/80/198112980.db2.gz QRCMSTOHHFLVPK-NSHDSACASA-N 0 0 307.398 0.786 10 0 DCAERN Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000172604445 198122460 /nfs/dbraw/zinc/12/24/60/198122460.db2.gz NTGFAHOFNLZQIE-NSHDSACASA-N 0 0 303.405 0.803 10 0 DCAERN C[C@H](NC(=O)N1CCC(Nc2cccnn2)CC1)C(=O)N(C)C ZINC000172604328 198122764 /nfs/dbraw/zinc/12/27/64/198122764.db2.gz YEDKYBIPKCQWSD-NSHDSACASA-N 0 0 320.397 0.539 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H](CO)Cc2ccccc2)CCC1=O ZINC000172618140 198126176 /nfs/dbraw/zinc/12/61/76/198126176.db2.gz UOJQXDXGZCPAQS-ZIAGYGMSSA-N 0 0 305.378 0.510 10 0 DCAERN CNc1cc([C@@H]2CN(C(=O)c3ccn(C)n3)CCO2)nc(C)n1 ZINC000072387811 191146058 /nfs/dbraw/zinc/14/60/58/191146058.db2.gz KOZRAVZUSZVWGO-ZDUSSCGKSA-N 0 0 316.365 0.774 10 0 DCAERN Cc1c(C(=O)N2CCOCC2)nnc2nc(C(F)(F)F)nn21 ZINC000072452974 191171012 /nfs/dbraw/zinc/17/10/12/191171012.db2.gz ADWSWVPKMKCHND-UHFFFAOYSA-N 0 0 316.243 0.319 10 0 DCAERN COCCn1ccc2c(cnc3c(C(=O)OC)c(C)nn32)c1=O ZINC000072465465 191173821 /nfs/dbraw/zinc/17/38/21/191173821.db2.gz CACDTYBHPVGQMF-UHFFFAOYSA-N 0 0 316.317 0.786 10 0 DCAERN CCc1nc2nnc3c(ccn(Cc4ccncc4)c3=O)n2n1 ZINC000072466743 191174177 /nfs/dbraw/zinc/17/41/77/191174177.db2.gz WPBWEONRPHLZNY-UHFFFAOYSA-N 0 0 307.317 0.840 10 0 DCAERN O=C1CNC(=O)N1CCCN1CCC(=O)Nc2ccccc21 ZINC000072518939 191186348 /nfs/dbraw/zinc/18/63/48/191186348.db2.gz QKXZYIRJFICNGH-UHFFFAOYSA-N 0 0 302.334 0.777 10 0 DCAERN CS(=O)(=O)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172792613 198149448 /nfs/dbraw/zinc/14/94/48/198149448.db2.gz SHNIMZWZJBLBIP-UHFFFAOYSA-N 0 0 311.388 0.980 10 0 DCAERN C[C@@H](NC(=O)CCNC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000072782335 191228733 /nfs/dbraw/zinc/22/87/33/191228733.db2.gz STOGLYHTOUOIDH-SNVBAGLBSA-N 0 0 302.338 0.503 10 0 DCAERN Cn1cc(NC(=O)COCc2ccccc2)c(=O)n(C)c1=O ZINC000173086425 198184186 /nfs/dbraw/zinc/18/41/86/198184186.db2.gz HLKCXLBZQNRDRX-UHFFFAOYSA-N 0 0 303.318 0.239 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CCn3cccn3)CCO2)[nH]1 ZINC000173565941 198227715 /nfs/dbraw/zinc/22/77/15/198227715.db2.gz GXGKUSVUANYCFE-NSHDSACASA-N 0 0 304.354 0.554 10 0 DCAERN O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CC(CO)C1 ZINC000182103010 199387466 /nfs/dbraw/zinc/38/74/66/199387466.db2.gz DUJBGJUTAJFNBE-CQSZACIVSA-N 0 0 324.402 0.290 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C ZINC000174327185 198320525 /nfs/dbraw/zinc/32/05/25/198320525.db2.gz GDIIMONRFZUIHZ-WDEREUQCSA-N 0 0 318.377 0.383 10 0 DCAERN CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000175103997 198428200 /nfs/dbraw/zinc/42/82/00/198428200.db2.gz KGVMXTJEORRVNN-JTQLQIEISA-N 0 0 304.350 0.261 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCC(C)(C)C[C@H](C)O)cn1 ZINC000175550175 198490050 /nfs/dbraw/zinc/49/00/50/198490050.db2.gz ZWQFLVTYMLGOMJ-JTQLQIEISA-N 0 0 311.386 0.548 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@H](CO)c2ccccc2)n1 ZINC000176078445 198543570 /nfs/dbraw/zinc/54/35/70/198543570.db2.gz ZZFTUWLFAUFYKC-CYBMUJFWSA-N 0 0 304.350 0.996 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408011791 283088475 /nfs/dbraw/zinc/08/84/75/283088475.db2.gz ZVQJZSPDOQQYCO-RYUDHWBXSA-N 0 0 321.443 0.141 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)c1ccc2c(n1)CCCC2 ZINC000328948778 295911070 /nfs/dbraw/zinc/91/10/70/295911070.db2.gz BXAYYYGQMNSTIK-LSDHHAIUSA-N 0 0 313.361 0.922 10 0 DCAERN C[C@H](SC[C@H](O)CO)C(=O)NCCc1ccc(F)cc1 ZINC000177423311 198721723 /nfs/dbraw/zinc/72/17/23/198721723.db2.gz TYNOOWWDVQJMNF-GXFFZTMASA-N 0 0 301.383 0.959 10 0 DCAERN COc1ccc(-c2noc(C(C)(C)NS(C)(=O)=O)n2)cn1 ZINC000081533705 192284529 /nfs/dbraw/zinc/28/45/29/192284529.db2.gz DVBDNFSAGJJQNK-UHFFFAOYSA-N 0 0 312.351 0.925 10 0 DCAERN C[C@@](NC(=O)[C@H]1CNC(=O)C1)(C(N)=O)c1cccc(Cl)c1 ZINC000178153399 198823344 /nfs/dbraw/zinc/82/33/44/198823344.db2.gz HSWSASHAIKVUBV-CLAHSXSESA-N 0 0 309.753 0.293 10 0 DCAERN CCCN(C[C@@H]1CCCCO1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000329168970 283278115 /nfs/dbraw/zinc/27/81/15/283278115.db2.gz JKINNQZWJAMALI-NSHDSACASA-N 0 0 309.366 0.907 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)no1 ZINC000120150559 535366017 /nfs/dbraw/zinc/36/60/17/535366017.db2.gz JNYOSFKUFCEIPC-HNNXBMFYSA-N 0 0 311.382 0.611 10 0 DCAERN Cc1nc(C(=O)NCCN2CCCS2(=O)=O)c(C)s1 ZINC000179277864 199009191 /nfs/dbraw/zinc/00/91/91/199009191.db2.gz CRPSHSWCFIDOFI-UHFFFAOYSA-N 0 0 303.409 0.525 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCCC[C@@H]1CO ZINC000179252472 199005435 /nfs/dbraw/zinc/00/54/35/199005435.db2.gz QSEVXYDGOIFVTL-UKRRQHHQSA-N 0 0 320.389 0.849 10 0 DCAERN CN(C)c1cccc(CNC(=O)CNC(=O)c2ccccn2)n1 ZINC000179384916 199026060 /nfs/dbraw/zinc/02/60/60/199026060.db2.gz RSHZXRJSNBWDAG-UHFFFAOYSA-N 0 0 313.361 0.589 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N(CCO)C1CC1 ZINC000180404760 199154460 /nfs/dbraw/zinc/15/44/60/199154460.db2.gz QEOGYYNPHVHYQS-UHFFFAOYSA-N 0 0 315.333 0.394 10 0 DCAERN O=C(Nc1c[nH]nc1-c1ccccn1)C(=O)N[C@@H]1CCCOC1 ZINC000180474972 199164064 /nfs/dbraw/zinc/16/40/64/199164064.db2.gz DGRSSABXNLFQIU-SNVBAGLBSA-N 0 0 315.333 0.705 10 0 DCAERN C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCOC1)N1CCOCC1 ZINC000275255894 295968838 /nfs/dbraw/zinc/96/88/38/295968838.db2.gz HDFIJKKJLIIJAY-QWHCGFSZSA-N 0 0 322.409 0.375 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC000408266346 283357173 /nfs/dbraw/zinc/35/71/73/283357173.db2.gz YWSTZKOKMSCUCQ-CYBMUJFWSA-N 0 0 309.410 0.810 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000408362095 283392183 /nfs/dbraw/zinc/39/21/83/283392183.db2.gz LONGOBGJVUIONG-XQQFMLRXSA-N 0 0 306.428 0.747 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1COc2ccccc2C1 ZINC000179244075 283394997 /nfs/dbraw/zinc/39/49/97/283394997.db2.gz YBBBEDSRGRPVAQ-STQMWFEESA-N 0 0 303.362 0.910 10 0 DCAERN C[C@@H]1[C@H](C)OCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000166973130 237121024 /nfs/dbraw/zinc/12/10/24/237121024.db2.gz QXNIDIUZTHITRL-MNOVXSKESA-N 0 0 317.345 0.326 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000163681717 237114869 /nfs/dbraw/zinc/11/48/69/237114869.db2.gz DLROVHVKJIAJOO-QWRGUYRKSA-N 0 0 304.350 0.441 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCCC1 ZINC000172069228 237143805 /nfs/dbraw/zinc/14/38/05/237143805.db2.gz PPLIVMHHBVMPBN-JQWIXIFHSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCCN2CCOCC2(C)C)C1 ZINC000170885279 237130175 /nfs/dbraw/zinc/13/01/75/237130175.db2.gz BUFRESZJSMOSGM-CYBMUJFWSA-N 0 0 319.471 0.664 10 0 DCAERN CCC1(CC)CN(C(=O)CSCC(N)=O)CC[S@@]1=O ZINC000186764291 200005861 /nfs/dbraw/zinc/00/58/61/200005861.db2.gz YEQZOVVTRXPQFA-IBGZPJMESA-N 0 0 306.453 0.355 10 0 DCAERN Cc1nn(C)c(C)c1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000173978230 237166474 /nfs/dbraw/zinc/16/64/74/237166474.db2.gz NCYFLZVBTDSZFZ-UWVGGRQHSA-N 0 0 316.427 0.481 10 0 DCAERN CN(C)C(=O)CC(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000187006717 200046094 /nfs/dbraw/zinc/04/60/94/200046094.db2.gz JRQFZWKDMOFZIA-UHFFFAOYSA-N 0 0 309.332 0.855 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1C ZINC000187254521 200084098 /nfs/dbraw/zinc/08/40/98/200084098.db2.gz OPNAKYMPOKOEDL-JTQLQIEISA-N 0 0 323.393 0.557 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)NCC(=O)NCC1CC1 ZINC000186828316 237327584 /nfs/dbraw/zinc/32/75/84/237327584.db2.gz DYCCAFUEXLVMGM-SNVBAGLBSA-N 0 0 306.366 0.977 10 0 DCAERN CCc1onc(C)c1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000187783022 200155782 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/nfs/dbraw/zinc/95/09/92/182950992.db2.gz IHUJUFPKIMDRCS-JTQLQIEISA-N 0 0 300.380 0.835 10 0 DCAERN O=C(c1cccnc1Cl)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000037984053 182953411 /nfs/dbraw/zinc/95/34/11/182953411.db2.gz SYVOHNMDDCEKOR-SECBINFHSA-N 0 0 318.782 0.357 10 0 DCAERN O=C(c1ccc(Cl)nc1)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000037984051 182953849 /nfs/dbraw/zinc/95/38/49/182953849.db2.gz CGJTVMDNNABVLB-SNVBAGLBSA-N 0 0 318.782 0.357 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)nc1 ZINC000038109403 182991821 /nfs/dbraw/zinc/99/18/21/182991821.db2.gz IXBHLODDQKYXMZ-VIFPVBQESA-N 0 0 303.771 0.634 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000042747240 183304351 /nfs/dbraw/zinc/30/43/51/183304351.db2.gz WCPZFMSBOYQSSH-MNOVXSKESA-N 0 0 312.391 0.970 10 0 DCAERN C[C@H](O)CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000043002504 183327140 /nfs/dbraw/zinc/32/71/40/183327140.db2.gz QDLQXGVKVLERND-LBPRGKRZSA-N 0 0 305.378 0.971 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)cc21 ZINC000274114715 211366446 /nfs/dbraw/zinc/36/64/46/211366446.db2.gz FZEMLHUNXAJEIJ-NSHDSACASA-N 0 0 322.390 0.618 10 0 DCAERN COC(=O)[C@@H](C)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104376432 194003552 /nfs/dbraw/zinc/00/35/52/194003552.db2.gz MIMRUYPHSCDRHR-QMMMGPOBSA-N 0 0 323.740 0.855 10 0 DCAERN Cc1cccnc1CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000104564487 194015249 /nfs/dbraw/zinc/01/52/49/194015249.db2.gz KNNBDUQUVUJHPU-UHFFFAOYSA-N 0 0 312.333 0.150 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000104780559 194038753 /nfs/dbraw/zinc/03/87/53/194038753.db2.gz MNVSTYNOYPSXOE-HNNXBMFYSA-N 0 0 320.393 0.775 10 0 DCAERN CC(C)Oc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cn1 ZINC000104783929 194040292 /nfs/dbraw/zinc/04/02/92/194040292.db2.gz CAOSLHQMKGLDHB-CQSZACIVSA-N 0 0 322.409 0.999 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCc2nccn2C(F)F)C1 ZINC000105225750 194086830 /nfs/dbraw/zinc/08/68/30/194086830.db2.gz DAAGSHNMUZDAFH-VIFPVBQESA-N 0 0 303.313 0.408 10 0 DCAERN CN(c1cccnn1)C1CCN(C(=O)C2=COCCO2)CC1 ZINC000105815836 194136451 /nfs/dbraw/zinc/13/64/51/194136451.db2.gz JDBTTWPLIHVFSV-UHFFFAOYSA-N 0 0 304.350 0.792 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCN(CCOC)[C@H](C)C1 ZINC000105833429 194142542 /nfs/dbraw/zinc/14/25/42/194142542.db2.gz DMZKQVJZOXHFEW-HUUCEWRRSA-N 0 0 315.458 0.570 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)c3cnn(C)c3)C2)c1 ZINC000105860414 194148746 /nfs/dbraw/zinc/14/87/46/194148746.db2.gz JEUPLTCTBYQVLQ-CYBMUJFWSA-N 0 0 301.350 0.971 10 0 DCAERN CC[C@H](C(N)=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105894459 194160112 /nfs/dbraw/zinc/16/01/12/194160112.db2.gz JMAJGUHCEXGGTA-GOEBONIOSA-N 0 0 321.421 0.308 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105900519 194165133 /nfs/dbraw/zinc/16/51/33/194165133.db2.gz FQEYYZMRHZCLLJ-ZDUSSCGKSA-N 0 0 308.382 0.508 10 0 DCAERN C[C@H](NC[C@@H]1CN(C)CCO1)c1nnnn1-c1ccccc1 ZINC000105932398 194173143 /nfs/dbraw/zinc/17/31/43/194173143.db2.gz QMRGDOUKUPOJJG-GXTWGEPZSA-N 0 0 302.382 0.644 10 0 DCAERN CN(CCn1cccn1)C(=O)Cn1cnc2ccccc2c1=O ZINC000109969024 194300805 /nfs/dbraw/zinc/30/08/05/194300805.db2.gz UBCYOYHAEFBFFD-UHFFFAOYSA-N 0 0 311.345 0.752 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110888361 194366845 /nfs/dbraw/zinc/36/68/45/194366845.db2.gz NLGIXYUHCXBHFD-CMPLNLGQSA-N 0 0 304.350 0.307 10 0 DCAERN COC(=O)[C@H](Cc1c[nH]cn1)NCCNC(=O)OC(C)(C)C ZINC000059164974 184135204 /nfs/dbraw/zinc/13/52/04/184135204.db2.gz GHGYFVAFDSNOPO-NSHDSACASA-N 0 0 312.370 0.608 10 0 DCAERN O=C([O-])C[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000061145416 184163215 /nfs/dbraw/zinc/16/32/15/184163215.db2.gz KHTMYDQKXXSJSR-UHFFFAOYSA-N 0 0 312.391 0.609 10 0 DCAERN NC(=S)[C@H]1CCC[C@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000061886682 184191920 /nfs/dbraw/zinc/19/19/20/184191920.db2.gz YBYFXUCAXHUPLC-VHSXEESVSA-N 0 0 303.384 0.954 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCS(=O)(=O)C1 ZINC000062962206 184262428 /nfs/dbraw/zinc/26/24/28/184262428.db2.gz HYBJQSVYAQFPOZ-VIFPVBQESA-N 0 0 304.393 0.241 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)CN(C)S(C)(=O)=O)c2)no1 ZINC000064330973 184294509 /nfs/dbraw/zinc/29/45/09/184294509.db2.gz QWGCCQOMVJANMW-UHFFFAOYSA-N 0 0 324.362 0.875 10 0 DCAERN Cc1noc(CCNS(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000064345024 184294735 /nfs/dbraw/zinc/29/47/35/184294735.db2.gz GEPXGFDNULJRBS-UHFFFAOYSA-N 0 0 305.747 0.286 10 0 DCAERN COc1ccc(Cn2c(=O)[nH]nc2[C@H]2CC(=O)N(C)C2)cc1 ZINC000065398568 184336512 /nfs/dbraw/zinc/33/65/12/184336512.db2.gz HQSVCNSAYMNLHZ-NSHDSACASA-N 0 0 302.334 0.574 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112656014 194496868 /nfs/dbraw/zinc/49/68/68/194496868.db2.gz LJZXBAKXHOXVSU-SNVBAGLBSA-N 0 0 307.379 0.331 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000072045378 252585221 /nfs/dbraw/zinc/58/52/21/252585221.db2.gz OVZCWHMXWZXTMU-GARJFASQSA-N 0 0 309.366 0.817 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCc2ccsc2)cn1 ZINC000179096028 252610932 /nfs/dbraw/zinc/61/09/32/252610932.db2.gz VUTJIUMHBAFEKV-UHFFFAOYSA-N 0 0 305.363 0.859 10 0 DCAERN C[C@@H]1CN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696183 252594039 /nfs/dbraw/zinc/59/40/39/252594039.db2.gz IZZKZUFATHSZRC-MRVPVSSYSA-N 0 0 324.406 0.074 10 0 DCAERN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@](O)(CO)C1 ZINC000313804464 252644004 /nfs/dbraw/zinc/64/40/04/252644004.db2.gz NRSXGFIIGLTCPJ-GFCCVEGCSA-N 0 0 323.773 0.987 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333028425 252672510 /nfs/dbraw/zinc/67/25/10/252672510.db2.gz GWOHGDYMRLQNIX-KFWWJZLASA-N 0 0 324.421 0.947 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(C(C)=O)c[nH]2)CC1=O ZINC000190970306 285017102 /nfs/dbraw/zinc/01/71/02/285017102.db2.gz YDHSRDRYQKWURO-UHFFFAOYSA-N 0 0 307.350 0.538 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000333326605 252706851 /nfs/dbraw/zinc/70/68/51/252706851.db2.gz QISBGQVLUZUWIA-TZMCWYRMSA-N 0 0 305.378 0.531 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)NC[C@@H]2CCC[C@@H]2O)cn1 ZINC000333422191 252721010 /nfs/dbraw/zinc/72/10/10/252721010.db2.gz RZMLFMXIERLHDB-GHYVTOPFSA-N 0 0 308.382 0.710 10 0 DCAERN COCC[C@H](COC)NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000336836940 252800764 /nfs/dbraw/zinc/80/07/64/252800764.db2.gz XXWLFUMKSRWKHY-SECBINFHSA-N 0 0 322.408 0.177 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000337430773 252856655 /nfs/dbraw/zinc/85/66/55/252856655.db2.gz UUZUHBCGEYJHLY-LBPRGKRZSA-N 0 0 307.394 0.326 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCOc2cccc(C)c2)C1 ZINC000286370648 218946931 /nfs/dbraw/zinc/94/69/31/218946931.db2.gz YSXUIPXISIKKQE-KBPBESRZSA-N 0 0 306.362 0.865 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1Cl ZINC000340793987 253304767 /nfs/dbraw/zinc/30/47/67/253304767.db2.gz WHKGBLRLHXPJJW-UHFFFAOYSA-N 0 0 323.736 0.440 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)c1 ZINC000340850218 253313344 /nfs/dbraw/zinc/31/33/44/253313344.db2.gz IBHDPSJWJXDOHB-WDEREUQCSA-N 0 0 321.377 0.883 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)NS(C)(=O)=O ZINC000341118731 253345550 /nfs/dbraw/zinc/34/55/50/253345550.db2.gz FLIBKUVSVXMWAA-VIFPVBQESA-N 0 0 313.379 0.546 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCn4ncnc43)nc2n1 ZINC000177597901 291870113 /nfs/dbraw/zinc/87/01/13/291870113.db2.gz SFTZLZBIVGODDL-SNVBAGLBSA-N 0 0 312.337 0.598 10 0 DCAERN CCN1C(=O)CC[C@H](C(=O)N2CC[C@@H](O)C2)[C@H]1c1cnn(C)c1 ZINC000408273361 285163346 /nfs/dbraw/zinc/16/33/46/285163346.db2.gz CDCORVDMTIFFAG-VNHYZAJKSA-N 0 0 320.393 0.313 10 0 DCAERN Cn1cc(Br)c(C(=O)NCCCn2ccnn2)n1 ZINC000346432019 254051104 /nfs/dbraw/zinc/05/11/04/254051104.db2.gz FUFJTSMSFYJSPF-UHFFFAOYSA-N 0 0 313.159 0.594 10 0 DCAERN Cc1noc(Cl)c1CC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000346703336 254086592 /nfs/dbraw/zinc/08/65/92/254086592.db2.gz RSGNJRCMJBZBRR-VHSXEESVSA-N 0 0 311.729 0.527 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)N1C[C@@H](F)C[C@H]1CO ZINC000347342511 254149953 /nfs/dbraw/zinc/14/99/53/254149953.db2.gz DRQPSHKTYVGBQB-KBPBESRZSA-N 0 0 322.384 0.135 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](F)C[C@H]2C(N)=O)nnn1CC1CCCC1 ZINC000347248223 254141744 /nfs/dbraw/zinc/14/17/44/254141744.db2.gz DVLWNANOAZZWKK-RYUDHWBXSA-N 0 0 323.372 0.815 10 0 DCAERN O=C1N[C@H](c2cc(O)ccc2Br)N2CCOC[C@H]12 ZINC000093884235 296394626 /nfs/dbraw/zinc/39/46/26/296394626.db2.gz NAGJCHFOPVPFPF-MNOVXSKESA-N 0 0 313.151 0.984 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350616059 254318882 /nfs/dbraw/zinc/31/88/82/254318882.db2.gz NEDPXUBHOSOYFD-DTWKUNHWSA-N 0 0 320.798 0.901 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CSc2ccccc21)S(N)(=O)=O ZINC000350621824 254320323 /nfs/dbraw/zinc/32/03/23/254320323.db2.gz VOEHKHGBPZPCKA-SCZZXKLOSA-N 0 0 300.405 0.669 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc2c(c1)OCCO2 ZINC000372557607 220523105 /nfs/dbraw/zinc/52/31/05/220523105.db2.gz NVKLAOXRKWRGEM-WFASDCNBSA-N 0 0 307.346 0.956 10 0 DCAERN C[C@@H](C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1)c1ccccc1 ZINC000276658171 533214304 /nfs/dbraw/zinc/21/43/04/533214304.db2.gz YPLQLHQJMFQQNC-UKRRQHHQSA-N 0 0 319.405 0.435 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CCN(CC(F)F)CC1 ZINC000289552072 221060557 /nfs/dbraw/zinc/06/05/57/221060557.db2.gz SDCQBADVVMHEJG-UHFFFAOYSA-N 0 0 310.326 0.137 10 0 DCAERN Cn1c(C(=O)N2CC[C@](O)(C(N)=O)C2)cc(Cl)c1Cl ZINC000376959606 262159816 /nfs/dbraw/zinc/15/98/16/262159816.db2.gz ZHZIWDMLWDCSOD-LLVKDONJSA-N 0 0 306.149 0.394 10 0 DCAERN Cn1cnc2c1[C@H](C(=O)NCC1CC1)CN(c1ncccn1)C2 ZINC000248061886 257110956 /nfs/dbraw/zinc/11/09/56/257110956.db2.gz VAVRZAFDBBATJX-GFCCVEGCSA-N 0 0 312.377 0.840 10 0 DCAERN Cc1noc([C@@H]2COC[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)n1 ZINC000248037605 257110960 /nfs/dbraw/zinc/11/09/60/257110960.db2.gz RLFGQRITPZFDCP-SDDRHHMPSA-N 0 0 315.333 0.670 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2OCC[C@]2(c2nnc(C)o2)C1 ZINC000248013777 257112071 /nfs/dbraw/zinc/11/20/71/257112071.db2.gz JSCDSGOQLUMENP-AAEUAGOBSA-N 0 0 315.395 0.850 10 0 DCAERN Cc1nnc([C@@]23COC[C@@H]2CN(C(=O)c2ccnnc2)C3)o1 ZINC000247992416 257112485 /nfs/dbraw/zinc/11/24/85/257112485.db2.gz BEVIZROIBFRITI-FZMZJTMJSA-N 0 0 301.306 0.208 10 0 DCAERN CN(C)S(=O)(=O)N1CC[C@H]2CN(c3nncs3)C[C@H]2C1 ZINC000247981240 257112600 /nfs/dbraw/zinc/11/26/00/257112600.db2.gz XLHFKKMQKSIWTP-UWVGGRQHSA-N 0 0 317.440 0.103 10 0 DCAERN COC[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C)o1)C2 ZINC000247943799 257113879 /nfs/dbraw/zinc/11/38/79/257113879.db2.gz VMYFJRKCMIDHKT-NSHDSACASA-N 0 0 313.375 0.864 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(c3ccncn3)C[C@@H]2O1 ZINC000247891488 257115336 /nfs/dbraw/zinc/11/53/36/257115336.db2.gz UBLNQHMVIMNVHH-AGIUHOORSA-N 0 0 306.366 0.223 10 0 DCAERN O=C(c1cocn1)N1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000247858934 257116385 /nfs/dbraw/zinc/11/63/85/257116385.db2.gz LUTBCZOBTJJRPW-LLVKDONJSA-N 0 0 316.317 0.917 10 0 DCAERN C[C@@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1S(C)(=O)=O ZINC000247532270 257119141 /nfs/dbraw/zinc/11/91/41/257119141.db2.gz PBPXQVUGKAOWRR-LLVKDONJSA-N 0 0 324.406 0.160 10 0 DCAERN CC[NH+]1CCN(c2nc3ccccc3c(=O)n2CC(=O)[O-])CC1 ZINC000040351785 285340143 /nfs/dbraw/zinc/34/01/43/285340143.db2.gz GSXVSYBJAHPRQS-UHFFFAOYSA-N 0 0 316.361 0.623 10 0 DCAERN CCC(C)(C)NC(=O)COc1ccc(C(=O)NCC(N)=O)cc1 ZINC000071913900 184902684 /nfs/dbraw/zinc/90/26/84/184902684.db2.gz AHEUBDHMXIVYTB-UHFFFAOYSA-N 0 0 321.377 0.585 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)NCC2(C)CCC2)CC1 ZINC000175695348 533296359 /nfs/dbraw/zinc/29/63/59/533296359.db2.gz QBSYFGINCMSSTE-UHFFFAOYSA-N 0 0 304.412 0.896 10 0 DCAERN COCCc1noc(CN(C)Cc2nsc(N(C)C)n2)n1 ZINC000156894455 533329919 /nfs/dbraw/zinc/32/99/19/533329919.db2.gz HCPROQXGRBSXBG-UHFFFAOYSA-N 0 0 312.399 0.808 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193171506 533399177 /nfs/dbraw/zinc/39/91/77/533399177.db2.gz SDBSPRJCEVAWSS-MRVPVSSYSA-N 0 0 317.333 0.520 10 0 DCAERN NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000276325298 130476048 /nfs/dbraw/zinc/47/60/48/130476048.db2.gz OCMOHMDQEOKSQB-LLVKDONJSA-N 0 0 322.745 0.090 10 0 DCAERN O=C1N[C@]2(CCOC2)C(=O)N1[C@@H]1CCN(c2ccccc2)C1 ZINC000277143437 130584412 /nfs/dbraw/zinc/58/44/12/130584412.db2.gz AMHAXWJSPMIJBW-CJNGLKHVSA-N 0 0 301.346 0.976 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)nc1 ZINC000283646461 131009599 /nfs/dbraw/zinc/00/95/99/131009599.db2.gz CFUJVXIIVMTOGW-NSHDSACASA-N 0 0 305.338 0.760 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3ccccn3)C[C@H]21 ZINC000283936182 131035023 /nfs/dbraw/zinc/03/50/23/131035023.db2.gz JLNQLGJKBJEDKX-HUUCEWRRSA-N 0 0 304.394 0.739 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Cn3ncc4ccccc43)C[C@@H]21 ZINC000283961416 131036698 /nfs/dbraw/zinc/03/66/98/131036698.db2.gz GNZHIOHRLILDON-JKSUJKDBSA-N 0 0 314.389 0.968 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000283972284 131037990 /nfs/dbraw/zinc/03/79/90/131037990.db2.gz GZBSCXYQLGIYEV-LSDHHAIUSA-N 0 0 317.389 0.591 10 0 DCAERN Cc1nc2ccc(NC(=O)N[C@@H]3CCC(=O)N(C)C3)cn2n1 ZINC000284145916 131053237 /nfs/dbraw/zinc/05/32/37/131053237.db2.gz VOYNWKJWFCCQMH-SNVBAGLBSA-N 0 0 302.338 0.780 10 0 DCAERN Cc1nc2cccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2[nH]1 ZINC000284206691 131059329 /nfs/dbraw/zinc/05/93/29/131059329.db2.gz ZYVDDSUSMUUPMS-JTQLQIEISA-N 0 0 322.390 0.635 10 0 DCAERN Cc1c(C(=O)N2CC[C@@](O)(c3cn[nH]n3)C2)cnn1CC(C)C ZINC000284464990 131083843 /nfs/dbraw/zinc/08/38/43/131083843.db2.gz AWGARLRPIOJPQI-HNNXBMFYSA-N 0 0 318.381 0.699 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000284521580 131088110 /nfs/dbraw/zinc/08/81/10/131088110.db2.gz GAERXPWYAIWAJT-KBPBESRZSA-N 0 0 314.345 0.587 10 0 DCAERN COc1ccc(CC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1F ZINC000284539503 131090586 /nfs/dbraw/zinc/09/05/86/131090586.db2.gz HPRGWZMGIPEIAB-JQWIXIFHSA-N 0 0 310.325 0.478 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3cc(C)[nH]c(=O)c3)CCN2C)n1 ZINC000284689445 131103564 /nfs/dbraw/zinc/10/35/64/131103564.db2.gz PWCVHOBOMMPSPQ-GFCCVEGCSA-N 0 0 317.349 0.916 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C(N)=O ZINC000284774492 131109940 /nfs/dbraw/zinc/10/99/40/131109940.db2.gz PWNSTNQFGZBYCJ-KCJUWKMLSA-N 0 0 318.782 0.603 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c(F)c1 ZINC000284824990 131114054 /nfs/dbraw/zinc/11/40/54/131114054.db2.gz VEABGQMHEUIDDQ-NXEZZACHSA-N 0 0 300.355 0.876 10 0 DCAERN CCc1csc(CC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000284988988 131129026 /nfs/dbraw/zinc/12/90/26/131129026.db2.gz MPBYNOILWNEQJI-MNOVXSKESA-N 0 0 308.407 0.873 10 0 DCAERN NS(=O)(=O)c1cnn(CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291219869 131553195 /nfs/dbraw/zinc/55/31/95/131553195.db2.gz WBEGTXAZPLQOKG-ZDUSSCGKSA-N 0 0 324.406 0.322 10 0 DCAERN CC(=O)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cs1 ZINC000293761494 131766454 /nfs/dbraw/zinc/76/64/54/131766454.db2.gz RJFPXRVEEBFDST-SNVBAGLBSA-N 0 0 316.404 0.714 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120562585 132148789 /nfs/dbraw/zinc/14/87/89/132148789.db2.gz AZQQHVKUYUQSGB-ZETCQYMHSA-N 0 0 302.356 0.924 10 0 DCAERN CC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000121071439 132151777 /nfs/dbraw/zinc/15/17/77/132151777.db2.gz HIBDABOMQSROFK-YPMHNXCESA-N 0 0 322.409 0.041 10 0 DCAERN Cc1ccc(NC(=O)CN2CCCC2=O)cc1S(C)(=O)=O ZINC000122254989 132162462 /nfs/dbraw/zinc/16/24/62/132162462.db2.gz XGRAHVZRFWRDAD-UHFFFAOYSA-N 0 0 310.375 0.959 10 0 DCAERN CCC[C@@H](C(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1)[NH+](C)C ZINC000122369770 132165250 /nfs/dbraw/zinc/16/52/50/132165250.db2.gz FGPXSZPLPOXPNP-RYUDHWBXSA-N 0 0 309.414 0.997 10 0 DCAERN Nc1c(-n2ccnc2)ncnc1N1CCN(c2ccccn2)CC1 ZINC000040799353 134722194 /nfs/dbraw/zinc/72/21/94/134722194.db2.gz SACZHIGMESRYTM-UHFFFAOYSA-N 0 0 322.376 0.966 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c1 ZINC000151594325 545817825 /nfs/dbraw/zinc/81/78/25/545817825.db2.gz BWCDUIBGTYWTNY-STQMWFEESA-N 0 0 307.398 0.925 10 0 DCAERN CC(C)COCCCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000022372433 395691828 /nfs/dbraw/zinc/69/18/28/395691828.db2.gz CPYVHSZAAQHYBB-UHFFFAOYSA-N 0 0 321.381 0.309 10 0 DCAERN CCCNC(=O)CNC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000008032313 395683921 /nfs/dbraw/zinc/68/39/21/395683921.db2.gz FGXAIPRPAJRPTE-AWEZNQCLSA-N 0 0 305.378 0.896 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC[C@H](C)[C@@H](O)C3)c(=O)n2c1 ZINC000089406936 395710916 /nfs/dbraw/zinc/71/09/16/395710916.db2.gz RFUOESGUZIRINX-AAEUAGOBSA-N 0 0 301.346 0.846 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 ZINC000089401023 395710972 /nfs/dbraw/zinc/71/09/72/395710972.db2.gz AMRVSRRWOIBINC-ZWNOBZJWSA-N 0 0 312.391 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)O1 ZINC000032633763 395712041 /nfs/dbraw/zinc/71/20/41/395712041.db2.gz LFLPJUDFWGILQN-PHIMTYICSA-N 0 0 317.345 0.326 10 0 DCAERN CC(=O)O[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000033981552 395717868 /nfs/dbraw/zinc/71/78/68/395717868.db2.gz NLTCMPQBQCXKHK-JTQLQIEISA-N 0 0 322.365 0.556 10 0 in-vitro DCAERN CCOC(=O)[C@H](CC)S(=O)(=O)Cc1nnc(CC)n1C ZINC000090989472 395720202 /nfs/dbraw/zinc/72/02/02/395720202.db2.gz DXAZWSAIJYLNGJ-VIFPVBQESA-N 0 0 303.384 0.634 10 0 DCAERN CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000039156786 395732612 /nfs/dbraw/zinc/73/26/12/395732612.db2.gz BQEBSOPMLSIFGS-ZDUSSCGKSA-N 0 0 304.346 0.971 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000092449808 395730759 /nfs/dbraw/zinc/73/07/59/395730759.db2.gz SJKOMENGXNCONA-RYUDHWBXSA-N 0 0 302.440 0.371 10 0 DCAERN C[C@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCOCC1 ZINC000041600714 395738389 /nfs/dbraw/zinc/73/83/89/395738389.db2.gz YDXWUQHQIPVASN-LLVKDONJSA-N 0 0 309.341 0.601 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000041601191 395738708 /nfs/dbraw/zinc/73/87/08/395738708.db2.gz GURBECQXXAQGDU-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000042008795 395741298 /nfs/dbraw/zinc/74/12/98/395741298.db2.gz PDJIDNSHDHJXRY-BXUZGUMPSA-N 0 0 304.346 0.906 10 0 DCAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Cc1cccs1)C2 ZINC000096095780 395744364 /nfs/dbraw/zinc/74/43/64/395744364.db2.gz ABVCFYDOILLDIN-ADEWGFFLSA-N 0 0 314.432 0.829 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CCCN(C(C)=O)CC2)cs1 ZINC000042465010 395745175 /nfs/dbraw/zinc/74/51/75/395745175.db2.gz GZSCBBFYYXGFQT-UHFFFAOYSA-N 0 0 310.379 0.796 10 0 DCAERN CCOC[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000044414529 395756369 /nfs/dbraw/zinc/75/63/69/395756369.db2.gz OSJNNARNCAPVCL-VIFPVBQESA-N 0 0 322.408 0.037 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000193820727 395779491 /nfs/dbraw/zinc/77/94/91/395779491.db2.gz GPXAIQRCPHIFQE-LBPRGKRZSA-N 0 0 311.407 0.548 10 0 DCAERN O=c1nc(CN2CCNC(=O)CC2)[nH]c2sc3c(c21)CCC3 ZINC000054257669 296524201 /nfs/dbraw/zinc/52/42/01/296524201.db2.gz IJVUDENYWLZHQW-UHFFFAOYSA-N 0 0 318.402 0.795 10 0 DCAERN CN1C(=O)[C@H](O)C[C@@H]1c1ccc[n+](CCCCCC(=O)[O-])c1 ZINC000106044460 395781917 /nfs/dbraw/zinc/78/19/17/395781917.db2.gz GPEZCDKUTIUNKA-ZIAGYGMSSA-O 0 0 307.370 0.883 10 0 DCAERN Cc1cc(COCC(=O)N2CCNC(=O)[C@H]2CC(C)C)on1 ZINC000193922484 395783039 /nfs/dbraw/zinc/78/30/39/395783039.db2.gz GUWBVZRDLBYDPB-CYBMUJFWSA-N 0 0 309.366 0.873 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(CCO)CC2)c1 ZINC000106929281 395784482 /nfs/dbraw/zinc/78/44/82/395784482.db2.gz AMPCCNROTIMMLL-HOTGVXAUSA-N 0 0 304.390 0.935 10 0 DCAERN Cc1ccc(C(=O)NCCn2c(=O)[nH]c3cncnc32)s1 ZINC000097940803 395761302 /nfs/dbraw/zinc/76/13/02/395761302.db2.gz VZULPWMRGJSIGM-UHFFFAOYSA-N 0 0 303.347 0.920 10 0 DCAERN O=C(CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1)NC1CC1 ZINC000045106322 395761315 /nfs/dbraw/zinc/76/13/15/395761315.db2.gz IVMCJBCNUGQJHN-GFCCVEGCSA-N 0 0 318.381 0.023 10 0 DCAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccs1 ZINC000097942228 395761380 /nfs/dbraw/zinc/76/13/80/395761380.db2.gz WHVPHAKJUZROIG-NHCYSSNCSA-N 0 0 314.432 0.829 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H](C)C(=O)NCc2ccco2)n1 ZINC000101609581 395765486 /nfs/dbraw/zinc/76/54/86/395765486.db2.gz URDSDBPBVSNBPX-VIFPVBQESA-N 0 0 321.337 0.518 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCC(=O)Nc2cccnc2)C1 ZINC000101580888 395765551 /nfs/dbraw/zinc/76/55/51/395765551.db2.gz QPCBJRHOTOXBKM-LLVKDONJSA-N 0 0 312.395 0.586 10 0 DCAERN CCOc1cccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c1 ZINC000193611588 395773688 /nfs/dbraw/zinc/77/36/88/395773688.db2.gz GXOLQDKHHCRRPA-GDBMZVCRSA-N 0 0 320.389 0.726 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2nncn2C)CC1 ZINC000103491555 395774070 /nfs/dbraw/zinc/77/40/70/395774070.db2.gz FICOFROUVKCGII-ZDUSSCGKSA-N 0 0 320.441 0.380 10 0 DCAERN Cc1cc(-c2nnc(SCc3nc(N(C)C)no3)n2N)n[nH]1 ZINC000194690112 395804244 /nfs/dbraw/zinc/80/42/44/395804244.db2.gz QNVZCNTZGMOXAZ-UHFFFAOYSA-N 0 0 321.370 0.432 10 0 DCAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000048112205 395808732 /nfs/dbraw/zinc/80/87/32/395808732.db2.gz DYJREYKRMKFWCY-ZWNOBZJWSA-N 0 0 301.346 0.853 10 0 DCAERN COc1ccc(-n2ccc(CNC(=O)[C@H]3CNC(=O)C3)n2)cc1 ZINC000194878457 395810133 /nfs/dbraw/zinc/81/01/33/395810133.db2.gz HRRWWHCIQSSHPR-LLVKDONJSA-N 0 0 314.345 0.633 10 0 DCAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CNC(=O)C1 ZINC000194863245 395810265 /nfs/dbraw/zinc/81/02/65/395810265.db2.gz YTVFIDCFEIPDSE-SNVBAGLBSA-N 0 0 305.334 0.137 10 0 DCAERN CCn1c(C)nnc1CN(CCO)CCOCC(F)(F)F ZINC000112412611 395817521 /nfs/dbraw/zinc/81/75/21/395817521.db2.gz URKUCLIYCHQICZ-UHFFFAOYSA-N 0 0 310.320 0.980 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000112649384 395820174 /nfs/dbraw/zinc/82/01/74/395820174.db2.gz RCTUVFTXVKLWEC-YPMHNXCESA-N 0 0 312.329 0.491 10 0 DCAERN NS(=O)(=O)N1CCC(C(=O)NC/C=C/c2ccccc2)CC1 ZINC000112672054 395820683 /nfs/dbraw/zinc/82/06/83/395820683.db2.gz GZDPBFSGNVAQJZ-QPJJXVBHSA-N 0 0 323.418 0.732 10 0 DCAERN CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112651544 395820804 /nfs/dbraw/zinc/82/08/04/395820804.db2.gz CKAHLQDSSZHPFA-NSHDSACASA-N 0 0 320.374 0.426 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112724008 395822988 /nfs/dbraw/zinc/82/29/88/395822988.db2.gz DSXPJKUOEGIUCC-LBPRGKRZSA-N 0 0 324.425 0.017 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000195275075 395823336 /nfs/dbraw/zinc/82/33/36/395823336.db2.gz OJWYBXDIPUOWHZ-WDEREUQCSA-N 0 0 316.427 0.671 10 0 DCAERN CN(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000112856734 395824935 /nfs/dbraw/zinc/82/49/35/395824935.db2.gz WUOGUBLYBXKPFH-HNNXBMFYSA-N 0 0 303.406 0.896 10 0 DCAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)nc1 ZINC000113298507 395829406 /nfs/dbraw/zinc/82/94/06/395829406.db2.gz ORVFHUVXUHWJHG-QMMMGPOBSA-N 0 0 313.770 0.620 10 0 DCAERN CCn1cc(C2CCN(CC(=O)NCCC(=O)OC)CC2)cn1 ZINC000195499868 395829893 /nfs/dbraw/zinc/82/98/93/395829893.db2.gz YFVITEDBBWMXSM-UHFFFAOYSA-N 0 0 322.409 0.762 10 0 DCAERN CN1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000050079668 395836227 /nfs/dbraw/zinc/83/62/27/395836227.db2.gz CRSUURRXJONALD-INIZCTEOSA-N 0 0 315.417 0.852 10 0 DCAERN CCN(C(=O)CN1CCC(=O)NC1=O)[C@@H](C)c1cccnc1 ZINC000115228066 395838342 /nfs/dbraw/zinc/83/83/42/395838342.db2.gz GTAOHFLYQUFRGA-NSHDSACASA-N 0 0 304.350 0.933 10 0 DCAERN CN(C)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1c(F)cccc1F ZINC000115412648 395839788 /nfs/dbraw/zinc/83/97/88/395839788.db2.gz UTQYLUSLBWECKQ-JOYOIKCWSA-N 0 0 311.332 0.820 10 0 DCAERN CC(C)Oc1ccc([C@H](O)CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000116465450 395844042 /nfs/dbraw/zinc/84/40/42/395844042.db2.gz OOCFNYQRKSKTRO-TZMCWYRMSA-N 0 0 306.362 0.760 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116552734 395844803 /nfs/dbraw/zinc/84/48/03/395844803.db2.gz BESDOWOGZZFEGX-TZMCWYRMSA-N 0 0 319.409 0.928 10 0 DCAERN NC(=O)[C@]1(O)CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000225480814 395860630 /nfs/dbraw/zinc/86/06/30/395860630.db2.gz CXLSCFYTHOUJBW-INIZCTEOSA-N 0 0 309.410 0.305 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1F ZINC000116832575 395847207 /nfs/dbraw/zinc/84/72/07/395847207.db2.gz FVBSXSFCWAVGBR-LLVKDONJSA-N 0 0 300.355 0.898 10 0 DCAERN Cc1ccc2ncn(C[C@@H](O)CN3CCOCC3)c(=O)c2c1 ZINC000051374204 395849816 /nfs/dbraw/zinc/84/98/16/395849816.db2.gz QAWCVTKBBPBWJY-ZDUSSCGKSA-N 0 0 303.362 0.398 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000116982156 395850715 /nfs/dbraw/zinc/85/07/15/395850715.db2.gz MGMWCBYJJVOJGI-VIFPVBQESA-N 0 0 318.782 0.809 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(CCO)CC(F)F)cnc12 ZINC000194368971 395794846 /nfs/dbraw/zinc/79/48/46/395794846.db2.gz CSERNGSPBNOZHE-UHFFFAOYSA-N 0 0 311.288 0.703 10 0 DCAERN c1cnn(C[C@H]2CN(c3nnnn3-c3ccccc3)CCO2)c1 ZINC000108949254 395795639 /nfs/dbraw/zinc/79/56/39/395795639.db2.gz KCXYNSZMEUVADZ-CQSZACIVSA-N 0 0 311.349 0.764 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCn1cc(C)cn1 ZINC000118075924 395857928 /nfs/dbraw/zinc/85/79/28/395857928.db2.gz XWQYHNZVDPANQT-LLVKDONJSA-N 0 0 302.400 0.314 10 0 DCAERN CC(=O)CCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000194538881 395798963 /nfs/dbraw/zinc/79/89/63/395798963.db2.gz INWTWZGXUQFVIF-AWEZNQCLSA-N 0 0 310.394 0.843 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000052004986 395858127 /nfs/dbraw/zinc/85/81/27/395858127.db2.gz IROLTYWGGBNOOO-QWHCGFSZSA-N 0 0 312.391 0.628 10 0 DCAERN CN(C(=O)c1ccnn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122511623 395887209 /nfs/dbraw/zinc/88/72/09/395887209.db2.gz UZOCVOOFJLQEGB-GFCCVEGCSA-N 0 0 300.366 0.951 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)n(C)n1 ZINC000122909242 395890139 /nfs/dbraw/zinc/89/01/39/395890139.db2.gz HKNSQGQNACDMOE-UHFFFAOYSA-N 0 0 305.382 0.228 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ncc(C)o1 ZINC000234620950 395890301 /nfs/dbraw/zinc/89/03/01/395890301.db2.gz MHZNLRXKWHGIPY-NXEZZACHSA-N 0 0 302.352 0.744 10 0 DCAERN COc1ccc(NC(=O)CN2C[C@@H](O)[C@H](O)C2)cc1Cl ZINC000234948380 395891989 /nfs/dbraw/zinc/89/19/89/395891989.db2.gz OGCFSKGHIRNRIQ-GHMZBOCLSA-N 0 0 300.742 0.325 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2F)C[C@@H](C)O1 ZINC000123360176 395893304 /nfs/dbraw/zinc/89/33/04/395893304.db2.gz LYWJULJDYCBFRZ-RISCZKNCSA-N 0 0 324.352 0.704 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)CCc2ccccc2O)CC1 ZINC000123469792 395894091 /nfs/dbraw/zinc/89/40/91/395894091.db2.gz YPVLKGMSOJQVPR-LBPRGKRZSA-N 0 0 306.362 0.376 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)o1 ZINC000054191359 395895207 /nfs/dbraw/zinc/89/52/07/395895207.db2.gz WGYVILWMEYYYEF-IOCXFXADSA-N 0 0 317.345 0.876 10 0 DCAERN COC1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCC1 ZINC000273232027 395908025 /nfs/dbraw/zinc/90/80/25/395908025.db2.gz RYEDYQXOJIHFGQ-UHFFFAOYSA-N 0 0 316.365 0.342 10 0 DCAERN CN(C)c1cccc(CN(C)C(=O)CN2CC(=O)NC2=O)c1 ZINC000125934766 395908594 /nfs/dbraw/zinc/90/85/94/395908594.db2.gz HESDJEMXNBRGHL-UHFFFAOYSA-N 0 0 304.350 0.263 10 0 DCAERN C[C@H](NC(=O)[C@H]1COCCN1)c1ccc(N2CCCC2=O)cc1 ZINC000237532406 395914055 /nfs/dbraw/zinc/91/40/55/395914055.db2.gz FAQVMDGKHONRSC-SWLSCSKDSA-N 0 0 317.389 0.979 10 0 DCAERN CCOC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128095148 395917674 /nfs/dbraw/zinc/91/76/74/395917674.db2.gz DGYIORXSEQFQKC-KGLIPLIRSA-N 0 0 322.409 0.978 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000131029386 395924103 /nfs/dbraw/zinc/92/41/03/395924103.db2.gz BMMFEDBFHFKXHL-YPMHNXCESA-N 0 0 318.377 0.934 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCO3)CCC1=O ZINC000271371070 395861725 /nfs/dbraw/zinc/86/17/25/395861725.db2.gz DLVLBPBOYBBJPI-LBPRGKRZSA-N 0 0 324.402 0.911 10 0 DCAERN CCS(=O)(=O)CCN1CCC(N(C)c2cccnn2)CC1 ZINC000118397979 395862115 /nfs/dbraw/zinc/86/21/15/395862115.db2.gz WIDJURSJKHGPGC-UHFFFAOYSA-N 0 0 312.439 0.812 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(=O)[nH]1 ZINC000118669976 395862946 /nfs/dbraw/zinc/86/29/46/395862946.db2.gz KYVBAWFWOSQGKM-LBPRGKRZSA-N 0 0 313.361 0.872 10 0 DCAERN C[C@@H](CO)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000118966790 395865869 /nfs/dbraw/zinc/86/58/69/395865869.db2.gz KSPCFNADCZWRKN-ZDUSSCGKSA-N 0 0 307.394 0.774 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227599407 395869397 /nfs/dbraw/zinc/86/93/97/395869397.db2.gz BDQCTIIXZWSPHT-STQMWFEESA-N 0 0 318.439 0.828 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000119624731 395873070 /nfs/dbraw/zinc/87/30/70/395873070.db2.gz OCGULNUQYFDWGA-GJZGRUSLSA-N 0 0 307.394 0.658 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)CCC1=O ZINC000119853118 395877363 /nfs/dbraw/zinc/87/73/63/395877363.db2.gz QTMDQUORZWTHIU-CJNGLKHVSA-N 0 0 323.368 0.953 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N(C)C[C@@H]2CCCO2)c1 ZINC000119979845 395879998 /nfs/dbraw/zinc/87/99/98/395879998.db2.gz ZUWYARYEMWNRMS-HNNXBMFYSA-N 0 0 320.389 0.991 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000245684632 395934562 /nfs/dbraw/zinc/93/45/62/395934562.db2.gz AEBTXVAABHIQMB-LNLATYFQSA-N 0 0 310.300 0.781 10 0 DCAERN C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1N1CCOCC1 ZINC000273625955 395934665 /nfs/dbraw/zinc/93/46/65/395934665.db2.gz RRKPTPJHWVBIRX-CMPLNLGQSA-N 0 0 307.350 0.171 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000245784019 395935817 /nfs/dbraw/zinc/93/58/17/395935817.db2.gz SDVWGPJYQVOHMV-WZRBSPASSA-N 0 0 306.366 0.607 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN(C)C[C@H]1CCCO1)c1ccccc1 ZINC000246092061 395940684 /nfs/dbraw/zinc/94/06/84/395940684.db2.gz HTULDRMXDUMAFK-ZBFHGGJFSA-N 0 0 319.405 0.701 10 0 DCAERN COCCCCS(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000136107699 395944361 /nfs/dbraw/zinc/94/43/61/395944361.db2.gz USRFBYUNNFQTPS-UHFFFAOYSA-N 0 0 314.407 0.762 10 0 DCAERN COC(=O)[C@@H](C)N(C[C@@H](O)CN1CCOCC1)C1CCC1 ZINC000248895807 395999499 /nfs/dbraw/zinc/99/94/99/395999499.db2.gz UALDHMNEISSMAC-OCCSQVGLSA-N 0 0 300.399 0.096 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C1 ZINC000246360517 395947962 /nfs/dbraw/zinc/94/79/62/395947962.db2.gz FBWYYQIRYHYRGN-SNPRPXQTSA-N 0 0 305.378 0.275 10 0 DCAERN C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246410737 395950075 /nfs/dbraw/zinc/95/00/75/395950075.db2.gz JZYNGFGDWGLKMN-WDEREUQCSA-N 0 0 309.332 0.317 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000274461724 395950339 /nfs/dbraw/zinc/95/03/39/395950339.db2.gz KNSIKRMQYQNROZ-NSHDSACASA-N 0 0 300.384 0.048 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000246591341 395953677 /nfs/dbraw/zinc/95/36/77/395953677.db2.gz RIDWFZMAPQUYIZ-YNEHKIRRSA-N 0 0 308.378 0.703 10 0 DCAERN CC[C@@H]1CN(C[C@H](C)CS(C)(=O)=O)CCN1CCOC ZINC000246630019 395954469 /nfs/dbraw/zinc/95/44/69/395954469.db2.gz SSPMQEJOTKPBAB-UONOGXRCSA-N 0 0 306.472 0.710 10 0 DCAERN CCCCN(C)S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246622179 395954501 /nfs/dbraw/zinc/95/45/01/395954501.db2.gz XYWADNSAUMDYLF-ZIAGYGMSSA-N 0 0 319.471 0.616 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccc([S@@](C)=O)cc2)C[C@@H]1C ZINC000246656733 395955170 /nfs/dbraw/zinc/95/51/70/395955170.db2.gz GVWJYNBYHIVQCA-UTWWPYJBSA-N 0 0 324.446 0.951 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC000246768651 395957221 /nfs/dbraw/zinc/95/72/21/395957221.db2.gz PEKIFLIJPRCZMR-NEPJUHHUSA-N 0 0 306.410 0.816 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246821388 395958814 /nfs/dbraw/zinc/95/88/14/395958814.db2.gz SNTCDRZBDXZDKO-AVGNSLFASA-N 0 0 314.430 0.127 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2cccnc2)[C@@H]2CCO[C@H]21 ZINC000246844032 395959564 /nfs/dbraw/zinc/95/95/64/395959564.db2.gz BBATXMKCRPSJKC-IACUBPJLSA-N 0 0 303.362 0.741 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)C1 ZINC000246882858 395960381 /nfs/dbraw/zinc/96/03/81/395960381.db2.gz KFJGTGRJOQQMDF-IJLUTSLNSA-N 0 0 324.468 0.471 10 0 DCAERN C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246938761 395962095 /nfs/dbraw/zinc/96/20/95/395962095.db2.gz BYGZTAFCBUHTMT-GRYCIOLGSA-N 0 0 319.365 0.997 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)C(=O)Nc1cnn(C)c1 ZINC000060636988 395963684 /nfs/dbraw/zinc/96/36/84/395963684.db2.gz KYBUATDDPSPGAK-UHFFFAOYSA-N 0 0 300.318 0.957 10 0 DCAERN CCN(CC)c1ccc([C@@H](O)[C@H](O)C2OCC(=O)CO2)cc1 ZINC000145199920 395964068 /nfs/dbraw/zinc/96/40/68/395964068.db2.gz DMZLTUMHHSLANN-CABCVRRESA-N 0 0 309.362 0.869 10 0 DCAERN COCC(=O)O[C@H](c1ncccc1S(N)(=O)=O)[C@H](C)F ZINC000146337866 395965351 /nfs/dbraw/zinc/96/53/51/395965351.db2.gz KYSNOAKSEGNQKQ-CPCISQLKSA-N 0 0 306.315 0.318 10 0 DCAERN COCCN1CCN([C@H](C)C(=O)NCC(F)(F)F)C[C@@H]1C ZINC000247197540 395969037 /nfs/dbraw/zinc/96/90/37/395969037.db2.gz OSUJYLLANQYZRU-WDEREUQCSA-N 0 0 311.348 0.706 10 0 DCAERN C[C@H](NCCN1C(=O)CNC1=O)c1cn(-c2ccccc2)nn1 ZINC000150940568 395976327 /nfs/dbraw/zinc/97/63/27/395976327.db2.gz CPUYQTAGAHMWSX-NSHDSACASA-N 0 0 314.349 0.470 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCn1ccnc1 ZINC000150966131 395976465 /nfs/dbraw/zinc/97/64/65/395976465.db2.gz FYYIYUMXUWJTLR-LLVKDONJSA-N 0 0 303.370 0.871 10 0 DCAERN C[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1n1ccnc1 ZINC000247576670 395976817 /nfs/dbraw/zinc/97/68/17/395976817.db2.gz LRBQRXNNDDUQCB-QLFBSQMISA-N 0 0 321.425 0.806 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@@H](C)N2CCOCC2)nn1 ZINC000151103975 395978765 /nfs/dbraw/zinc/97/87/65/395978765.db2.gz VMGODVSVWYBJPI-CYBMUJFWSA-N 0 0 309.414 0.775 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000151116882 395979593 /nfs/dbraw/zinc/97/95/93/395979593.db2.gz RRHURJPWNBKGCH-LBPRGKRZSA-N 0 0 305.382 0.579 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000248357169 395984581 /nfs/dbraw/zinc/98/45/81/395984581.db2.gz PEDLCTGIWXJMLN-MNOVXSKESA-N 0 0 301.412 0.316 10 0 DCAERN CC(C)C[C@H](CO)N(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000248469225 395988972 /nfs/dbraw/zinc/98/89/72/395988972.db2.gz GXQWYPIYXQMKJA-JHJVBQTASA-N 0 0 308.444 0.679 10 0 DCAERN CC(C)N1CCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1=O ZINC000276359723 395990564 /nfs/dbraw/zinc/99/05/64/395990564.db2.gz RUAYQCGNRWCFOQ-LBPRGKRZSA-N 0 0 320.393 0.617 10 0 DCAERN COCCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000065212738 395991103 /nfs/dbraw/zinc/99/11/03/395991103.db2.gz ZRMASRBEAXFBFI-ZDUSSCGKSA-N 0 0 320.393 0.271 10 0 DCAERN CCCn1ncc(N2CCC(C(=O)NCCOC)CC2)cc1=O ZINC000065311388 395992168 /nfs/dbraw/zinc/99/21/68/395992168.db2.gz BRQZDLOVVMLEMB-UHFFFAOYSA-N 0 0 322.409 0.632 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653263 395993126 /nfs/dbraw/zinc/99/31/26/395993126.db2.gz YQOHVBHCVZVWPK-OLZOCXBDSA-N 0 0 313.442 0.907 10 0 DCAERN O=C(NC1CC1)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000151906609 395996029 /nfs/dbraw/zinc/99/60/29/395996029.db2.gz TVKVHRLYEYJMQB-ZDUSSCGKSA-N 0 0 307.394 0.562 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N(C)C(C)C ZINC000248770047 395997114 /nfs/dbraw/zinc/99/71/14/395997114.db2.gz AHBKCUKUVSHOME-UTUOFQBUSA-N 0 0 304.412 0.845 10 0 DCAERN CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)CO)N1CCOCC1 ZINC000153229137 396022526 /nfs/dbraw/zinc/02/25/26/396022526.db2.gz LSEHFWILWRNBGT-IHRRRGAJSA-N 0 0 301.431 0.659 10 0 DCAERN Cc1cc(CNC(=O)NCCC2(O)CCC2)nc(N(C)C)n1 ZINC000252508698 396022558 /nfs/dbraw/zinc/02/25/58/396022558.db2.gz XRBDIYBLVGVFIR-UHFFFAOYSA-N 0 0 307.398 0.955 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000153365096 396023903 /nfs/dbraw/zinc/02/39/03/396023903.db2.gz GCGISLVBWIENGJ-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000255116034 396032242 /nfs/dbraw/zinc/03/22/42/396032242.db2.gz NWXYSUIIPCRKHJ-UPJWGTAASA-N 0 0 321.421 0.890 10 0 DCAERN Cc1ccc(S(=O)(=O)N=c2ccccn2CC(N)=O)cc1 ZINC000254737023 396032430 /nfs/dbraw/zinc/03/24/30/396032430.db2.gz VWSFQTLEXQGJRJ-UHFFFAOYSA-N 0 0 305.359 0.571 10 0 DCAERN C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1ncc2ccccc2c1=O ZINC000155059923 396046124 /nfs/dbraw/zinc/04/61/24/396046124.db2.gz CZEVMTDZNUUBDP-BETUJISGSA-N 0 0 314.389 0.948 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 ZINC000155087536 396046885 /nfs/dbraw/zinc/04/68/85/396046885.db2.gz WBSGJBKTQYGNAR-GFCCVEGCSA-N 0 0 324.406 0.761 10 0 DCAERN O=C(NCc1ccccc1Cn1cncn1)[C@@H]1CC(F)(F)CN1 ZINC000261601763 396048141 /nfs/dbraw/zinc/04/81/41/396048141.db2.gz AIFBZLAVAIEDRN-ZDUSSCGKSA-N 0 0 321.331 0.940 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCN(c3cccnn3)CC2)cc1 ZINC000261607750 396048698 /nfs/dbraw/zinc/04/86/98/396048698.db2.gz AHGKCDPSUMQSPZ-UHFFFAOYSA-N 0 0 311.345 0.538 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@H](C)C2 ZINC000155245867 396048844 /nfs/dbraw/zinc/04/88/44/396048844.db2.gz KFDYMXHVMYDXSS-ABAIWWIYSA-N 0 0 317.389 0.549 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000155343329 396050580 /nfs/dbraw/zinc/05/05/80/396050580.db2.gz ALWBJMCMEYAHNK-JTQLQIEISA-N 0 0 315.395 0.819 10 0 DCAERN NCc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)no1 ZINC000261631749 396051149 /nfs/dbraw/zinc/05/11/49/396051149.db2.gz DZKNBODCMWBTRB-UHFFFAOYSA-N 0 0 307.398 0.753 10 0 DCAERN O=C(Nc1n[nH]c(SCCO)n1)[C@@H]1CCCc2n[nH]cc21 ZINC000155398820 396051235 /nfs/dbraw/zinc/05/12/35/396051235.db2.gz UDYVIMJGLKPRQS-SSDOTTSWSA-N 0 0 308.367 0.671 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)C3([NH3+])CCOCC3)CCO2)n1 ZINC000261683528 396056139 /nfs/dbraw/zinc/05/61/39/396056139.db2.gz CRPAAEWIFDKGST-AWEZNQCLSA-N 0 0 322.409 0.235 10 0 DCAERN COC(=O)CCCc1nc(Cn2cnn(C(C)(C)C)c2=O)no1 ZINC000155768967 396057185 /nfs/dbraw/zinc/05/71/85/396057185.db2.gz VRDYAXDILDAAND-UHFFFAOYSA-N 0 0 323.353 0.727 10 0 DCAERN COC(=O)CCCCNC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000069244980 396073061 /nfs/dbraw/zinc/07/30/61/396073061.db2.gz LLNGVSYKBFTDPG-UHFFFAOYSA-N 0 0 314.386 0.339 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000152193699 396002987 /nfs/dbraw/zinc/00/29/87/396002987.db2.gz GRYYOBBIMWTAIR-QMTHXVAHSA-N 0 0 323.418 0.862 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424845 396014146 /nfs/dbraw/zinc/01/41/46/396014146.db2.gz FJMJUXJZDPKPQO-GXTWGEPZSA-N 0 0 304.346 0.215 10 0 DCAERN CC(C)[C@H](CNC(=O)c1cc(C(N)=O)cn1C)N1CCOCC1 ZINC000152718186 396015016 /nfs/dbraw/zinc/01/50/16/396015016.db2.gz XHQFQHAFTNUHFP-AWEZNQCLSA-N 0 0 322.409 0.211 10 0 DCAERN CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000152838019 396017022 /nfs/dbraw/zinc/01/70/22/396017022.db2.gz XOBYPZDQIXPWLY-CABCVRRESA-N 0 0 309.410 0.178 10 0 DCAERN COc1cccc(CC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000251829447 396017364 /nfs/dbraw/zinc/01/73/64/396017364.db2.gz SNFWORFYXMFFLK-STQMWFEESA-N 0 0 307.394 0.546 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000251905929 396017958 /nfs/dbraw/zinc/01/79/58/396017958.db2.gz WUCSSWZUYATWIT-NOOOWODRSA-N 0 0 320.411 0.081 10 0 DCAERN CCc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C3CC3)C1)C2 ZINC000069652135 396086442 /nfs/dbraw/zinc/08/64/42/396086442.db2.gz OJGQMTSSWCMUJO-JTQLQIEISA-N 0 0 303.366 0.194 10 0 DCAERN CNC(=O)[C@@H](C)Nc1ncc(I)cn1 ZINC000165183076 396087465 /nfs/dbraw/zinc/08/74/65/396087465.db2.gz OGPUZONXPPGTCK-RXMQYKEDSA-N 0 0 306.107 0.628 10 0 DCAERN CS(=O)(=O)Cc1nsc(I)n1 ZINC000166092298 396088863 /nfs/dbraw/zinc/08/88/63/396088863.db2.gz KJZXJNOIGMIEFW-UHFFFAOYSA-N 0 0 304.134 0.687 10 0 DCAERN O=C(Cc1c[nH]c2ccccc12)N1CCc2n[nH]c(=O)n2CC1 ZINC000169783058 396091717 /nfs/dbraw/zinc/09/17/17/396091717.db2.gz JCHHCSVPCWIKJG-UHFFFAOYSA-N 0 0 311.345 0.680 10 0 DCAERN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)OC ZINC000175760610 396141289 /nfs/dbraw/zinc/14/12/89/396141289.db2.gz SJPBXWUCEBUWFJ-HTQZYQBOSA-N 0 0 310.272 0.465 10 0 DCAERN COCCn1c(C)cnc1CCNC(=O)c1cc(C)nn1C ZINC000169788110 396092647 /nfs/dbraw/zinc/09/26/47/396092647.db2.gz VOHRVTARNJGJAF-UHFFFAOYSA-N 0 0 305.382 0.852 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1nc2ncccn2n1 ZINC000175727809 396141484 /nfs/dbraw/zinc/14/14/84/396141484.db2.gz DMRIFLDABNOSNO-JTQLQIEISA-N 0 0 319.365 0.855 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)NCc1cn2c(n1)CCCC2 ZINC000073056418 396141516 /nfs/dbraw/zinc/14/15/16/396141516.db2.gz FHGOAUMZOUEKKF-UHFFFAOYSA-N 0 0 319.365 0.168 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)s1 ZINC000262075555 396096495 /nfs/dbraw/zinc/09/64/95/396096495.db2.gz CBYJSSHPSAFYRD-YPMHNXCESA-N 0 0 324.450 0.731 10 0 DCAERN O=C(CCCCN1CCOCC1)NCCCN1CCCC1=O ZINC000170785664 396097887 /nfs/dbraw/zinc/09/78/87/396097887.db2.gz LEWWBJOCXUPAJT-UHFFFAOYSA-N 0 0 311.426 0.618 10 0 DCAERN COC(C)(C)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000171589341 396119993 /nfs/dbraw/zinc/11/99/93/396119993.db2.gz KKYPLPCLPDYKHN-UHFFFAOYSA-N 0 0 318.381 0.437 10 0 DCAERN CC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000171638180 396121833 /nfs/dbraw/zinc/12/18/33/396121833.db2.gz OFNRYTWWNSORLQ-WFASDCNBSA-N 0 0 307.398 0.906 10 0 DCAERN COCCn1ccc(NC(=O)C(=O)NCCc2ccsc2)n1 ZINC000175848243 396143110 /nfs/dbraw/zinc/14/31/10/396143110.db2.gz HZOVSOIFJFRGNX-UHFFFAOYSA-N 0 0 322.390 0.888 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@H]3COCCO3)CC2)s1 ZINC000171863097 396126893 /nfs/dbraw/zinc/12/68/93/396126893.db2.gz BNGCQGNJDUPTMR-CYBMUJFWSA-N 0 0 311.407 0.511 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172133092 396128601 /nfs/dbraw/zinc/12/86/01/396128601.db2.gz FXBOUQZDDCZPCE-FOSCPWQOSA-N 0 0 304.412 0.224 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCNC[C@H]1c1cccnc1 ZINC000261874011 396074316 /nfs/dbraw/zinc/07/43/16/396074316.db2.gz SSENKXMPBBPFLK-OCCSQVGLSA-N 0 0 311.407 0.394 10 0 DCAERN NC(=O)COc1ccc(CCNc2ncnc3nc[nH]c32)cc1 ZINC000069302133 396074670 /nfs/dbraw/zinc/07/46/70/396074670.db2.gz ZDFDMIQYEYYLDQ-UHFFFAOYSA-N 0 0 312.333 0.872 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000161957179 396078264 /nfs/dbraw/zinc/07/82/64/396078264.db2.gz VROLBSPBOLCOHD-XJKSGUPXSA-N 0 0 309.410 0.849 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(O)ccc2Cl)C1 ZINC000277636309 396079288 /nfs/dbraw/zinc/07/92/88/396079288.db2.gz JRYFVEOJZDFTAM-MRVPVSSYSA-N 0 0 318.782 0.809 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261942403 396082007 /nfs/dbraw/zinc/08/20/07/396082007.db2.gz KPKCCPCPXDAHIM-UONOGXRCSA-N 0 0 320.418 0.476 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC000261968779 396085142 /nfs/dbraw/zinc/08/51/42/396085142.db2.gz NBXJMEGPRHNIGW-OCCSQVGLSA-N 0 0 317.389 0.694 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000176274043 396153286 /nfs/dbraw/zinc/15/32/86/396153286.db2.gz QEJSUAFGSFUANG-UONOGXRCSA-N 0 0 315.377 0.668 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCn2ncnc21)C(=O)NC(C)(C)C ZINC000176601051 396158152 /nfs/dbraw/zinc/15/81/52/396158152.db2.gz DSSNFXYYMODUBU-ZJUUUORDSA-N 0 0 308.386 0.715 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000074197186 396161067 /nfs/dbraw/zinc/16/10/67/396161067.db2.gz OEOGYQAWIMDJRY-WFASDCNBSA-N 0 0 318.377 0.242 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC000177152141 396168111 /nfs/dbraw/zinc/16/81/11/396168111.db2.gz KWPQEUTYAWSMQS-ZDUSSCGKSA-N 0 0 318.377 0.722 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1N1CCOCC1 ZINC000177235284 396170138 /nfs/dbraw/zinc/17/01/38/396170138.db2.gz BFOZJZDFMMQQRE-STQMWFEESA-N 0 0 324.450 0.758 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@@H]1N1CCOCC1 ZINC000177224265 396170373 /nfs/dbraw/zinc/17/03/73/396170373.db2.gz BGGHOOKJOCWDHZ-NEPJUHHUSA-N 0 0 310.423 0.734 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 ZINC000177275371 396170837 /nfs/dbraw/zinc/17/08/37/396170837.db2.gz SWLZISVBOYVRNC-CQSZACIVSA-N 0 0 320.393 0.244 10 0 DCAERN CNC(=O)c1ccc(NC[C@@H](O)c2cccc(OC)c2)nn1 ZINC000074750295 396171526 /nfs/dbraw/zinc/17/15/26/396171526.db2.gz REFLQUHYGUGXBT-CYBMUJFWSA-N 0 0 302.334 0.990 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)Cc2ccc(Cl)nc2)CC1 ZINC000177623822 396180042 /nfs/dbraw/zinc/18/00/42/396180042.db2.gz CFFWXHNJSIZWTI-UHFFFAOYSA-N 0 0 324.812 0.858 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177634960 396180431 /nfs/dbraw/zinc/18/04/31/396180431.db2.gz KEANOSIJISYROE-LBPRGKRZSA-N 0 0 313.361 0.965 10 0 DCAERN C[C@@H](c1nc(-c2ccccc2)no1)S(=O)(=O)C[C@H](O)CO ZINC000177671757 396181250 /nfs/dbraw/zinc/18/12/50/396181250.db2.gz SWJLDTPMBSCPCH-GXSJLCMTSA-N 0 0 312.347 0.566 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000177812012 396184468 /nfs/dbraw/zinc/18/44/68/396184468.db2.gz XWLKPWGVLORMNZ-NWDGAFQWSA-N 0 0 316.361 0.944 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000075775521 396187508 /nfs/dbraw/zinc/18/75/08/396187508.db2.gz NOYAAPTWDNWNPE-UONOGXRCSA-N 0 0 319.471 0.494 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3C[C@@H]3C)CC2)no1 ZINC000075982304 396190878 /nfs/dbraw/zinc/19/08/78/396190878.db2.gz NNXNOTXEVRRPOZ-JQWIXIFHSA-N 0 0 321.381 0.657 10 0 DCAERN Cc1cc(N2CCN([C@H]3CCNC3=O)CC2)nc(C(C)C)n1 ZINC000178187957 396191083 /nfs/dbraw/zinc/19/10/83/396191083.db2.gz NHDLPIQSWBSWDJ-ZDUSSCGKSA-N 0 0 303.410 0.919 10 0 DCAERN CS(=O)(=O)Nc1cccc2c1CCN([C@H]1CCNC1=O)C2 ZINC000178193867 396191109 /nfs/dbraw/zinc/19/11/09/396191109.db2.gz KTVRTUOBIOJLAF-ZDUSSCGKSA-N 0 0 309.391 0.305 10 0 DCAERN NS(=O)(=O)CCCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000178405509 396195733 /nfs/dbraw/zinc/19/57/33/396195733.db2.gz GNQZSJOEOJMPBN-NEPJUHHUSA-N 0 0 318.395 0.083 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1-n1cnnn1 ZINC000076099194 396196614 /nfs/dbraw/zinc/19/66/14/396196614.db2.gz MIGNPQBTMYOHKW-KOLCDFICSA-N 0 0 300.322 0.434 10 0 DCAERN O=C(Cn1cc(NC(=O)[C@@H]2CC(F)(F)CN2)cn1)NC1CC1 ZINC000263066443 396199960 /nfs/dbraw/zinc/19/99/60/396199960.db2.gz VYJKHHYIZHKWSS-JTQLQIEISA-N 0 0 313.308 0.097 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000076297247 396200506 /nfs/dbraw/zinc/20/05/06/396200506.db2.gz HTULDRMXDUMAFK-GOEBONIOSA-N 0 0 319.405 0.701 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H]1N1CCOCC1 ZINC000263105658 396201405 /nfs/dbraw/zinc/20/14/05/396201405.db2.gz ZUPHGUKUPZWQQG-AGIUHOORSA-N 0 0 317.380 0.553 10 0 DCAERN COCCN1C[C@@H](C(=O)NCCCc2ccccn2)CC1=O ZINC000178626556 396202190 /nfs/dbraw/zinc/20/21/90/396202190.db2.gz HIRRUISXIYMHDO-ZDUSSCGKSA-N 0 0 305.378 0.625 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCCNC(=O)N(C)C)c1ccccc1 ZINC000180629084 396234107 /nfs/dbraw/zinc/23/41/07/396234107.db2.gz QPRYTROPRHVKQE-AWEZNQCLSA-N 0 0 320.393 0.641 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1CCO[C@@]3(CCOC3)C1)CC2 ZINC000281483314 396234296 /nfs/dbraw/zinc/23/42/96/396234296.db2.gz VPYDDZSDTPKHNL-WBMJQRKESA-N 0 0 305.378 0.543 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281802088 396241215 /nfs/dbraw/zinc/24/12/15/396241215.db2.gz CRDKMYRAIVKVCG-AAEUAGOBSA-N 0 0 301.339 0.662 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000263917449 396242464 /nfs/dbraw/zinc/24/24/64/396242464.db2.gz CXPVZPXFOGMZBR-NOZJJQNGSA-N 0 0 310.375 0.692 10 0 DCAERN CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)[C@@H]1CCCO1 ZINC000078623525 396249957 /nfs/dbraw/zinc/24/99/57/396249957.db2.gz XIEKGPWIGYLWSI-RDBSUJKOSA-N 0 0 312.410 0.992 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)NCCCn1ccnn1 ZINC000182729008 396253441 /nfs/dbraw/zinc/25/34/41/396253441.db2.gz JCHJNNDSHDYSMU-VIFPVBQESA-N 0 0 322.398 0.287 10 0 DCAERN CCC[C@@H](C)N1C[C@@H](C(=O)NCCCn2ccnn2)CC1=O ZINC000182911326 396256562 /nfs/dbraw/zinc/25/65/62/396256562.db2.gz PABSKZLCWGMDJT-OLZOCXBDSA-N 0 0 307.398 0.822 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCCCn2ccnn2)cc1 ZINC000182932719 396256716 /nfs/dbraw/zinc/25/67/16/396256716.db2.gz PKEMQPAQIQXCIU-UHFFFAOYSA-N 0 0 301.350 0.734 10 0 DCAERN C[C@@H](C(=O)NC1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000079021431 396260250 /nfs/dbraw/zinc/26/02/50/396260250.db2.gz JIUWIVNDQBPDJY-JTQLQIEISA-N 0 0 302.330 0.966 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCCCn1ccnn1 ZINC000183153495 396263136 /nfs/dbraw/zinc/26/31/36/396263136.db2.gz RZPPTCPKXBRKOD-UHFFFAOYSA-N 0 0 319.413 0.951 10 0 DCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000282114207 396264394 /nfs/dbraw/zinc/26/43/94/396264394.db2.gz UFYJKSBPHOEQIM-UHFFFAOYSA-N 0 0 308.363 0.462 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000183224352 396264555 /nfs/dbraw/zinc/26/45/55/396264555.db2.gz PMAJVKUXBCJUIU-CABCVRRESA-N 0 0 313.442 0.452 10 0 DCAERN COc1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc2c1OCCO2 ZINC000282135578 396265678 /nfs/dbraw/zinc/26/56/78/396265678.db2.gz HTTHIMAHXLBJET-JTQLQIEISA-N 0 0 320.345 0.769 10 0 DCAERN CCOc1ccccc1CN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC000079648965 396269351 /nfs/dbraw/zinc/26/93/51/396269351.db2.gz CBZNTLBLSZYJQF-UHFFFAOYSA-N 0 0 317.349 0.434 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3ccn(C)n3)CCO2)n1 ZINC000183486077 396270003 /nfs/dbraw/zinc/27/00/03/396270003.db2.gz DGECVNORXWSBTG-OAHLLOKOSA-N 0 0 317.393 0.704 10 0 DCAERN O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000079992160 396273909 /nfs/dbraw/zinc/27/39/09/396273909.db2.gz ODPYQCHRANZBKI-GXTWGEPZSA-N 0 0 301.408 0.840 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H]1CN1CCOCC1)NCC1CC1 ZINC000183775226 396274538 /nfs/dbraw/zinc/27/45/38/396274538.db2.gz OBDVWSGQCSWCBZ-AWEZNQCLSA-N 0 0 324.425 0.019 10 0 DCAERN O=C(CNC(=O)NCCCc1ccccn1)NCC(F)(F)F ZINC000179181168 396223019 /nfs/dbraw/zinc/22/30/19/396223019.db2.gz LAFBUSCQQAFCET-UHFFFAOYSA-N 0 0 318.299 0.992 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000179419204 396226663 /nfs/dbraw/zinc/22/66/63/396226663.db2.gz FCEOGYFLGFGECB-LBPRGKRZSA-N 0 0 318.377 0.385 10 0 DCAERN COC[C@H](O)CCNC(=O)NCCCc1c(C)nn(C)c1C ZINC000179757093 396229301 /nfs/dbraw/zinc/22/93/01/396229301.db2.gz DTKRJMAGFPMDAG-CYBMUJFWSA-N 0 0 312.414 0.666 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC000179936158 396229926 /nfs/dbraw/zinc/22/99/26/396229926.db2.gz PLOAPSHCYUKDNF-SNVBAGLBSA-N 0 0 309.341 0.443 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000077747209 396230911 /nfs/dbraw/zinc/23/09/11/396230911.db2.gz FCTSJYDAZHHQER-KWQFWETISA-N 0 0 303.297 0.870 10 0 DCAERN CC1(C)CN(C(=O)c2nnc3ccccc3n2)CCS1(=O)=O ZINC000280957906 396232535 /nfs/dbraw/zinc/23/25/35/396232535.db2.gz JJIKSQKGUIABOA-UHFFFAOYSA-N 0 0 320.374 0.674 10 0 DCAERN O=C(CCCc1cccs1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856633 396317265 /nfs/dbraw/zinc/31/72/65/396317265.db2.gz VMWFTENETIVGPO-AWEZNQCLSA-N 0 0 307.375 0.881 10 0 DCAERN COCC(=O)NC1CN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000185093973 396317502 /nfs/dbraw/zinc/31/75/02/396317502.db2.gz GIXHTIDRNQLSGM-UHFFFAOYSA-N 0 0 309.341 0.601 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000265448049 396318002 /nfs/dbraw/zinc/31/80/02/396318002.db2.gz CBQVHLBMDPVFNC-SECBINFHSA-N 0 0 303.771 0.499 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)NCc1ccc(F)cc1 ZINC000185145353 396319314 /nfs/dbraw/zinc/31/93/14/396319314.db2.gz VVOKNPSZJBNIKW-MRXNPFEDSA-N 0 0 308.353 0.933 10 0 DCAERN CCCNC(=O)[C@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184071895 396283896 /nfs/dbraw/zinc/28/38/96/396283896.db2.gz BDUCBRRBYNMKHQ-LBPRGKRZSA-N 0 0 307.398 0.522 10 0 DCAERN Cc1cccc(S(=O)(=O)CCCN2C[C@H](O)C[C@@H]2CO)c1 ZINC000184290157 396289577 /nfs/dbraw/zinc/28/95/77/396289577.db2.gz KPXLMISWBBYMAZ-ZIAGYGMSSA-N 0 0 313.419 0.586 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184365096 396291950 /nfs/dbraw/zinc/29/19/50/396291950.db2.gz OWKRRWNTHNFRJZ-UHFFFAOYSA-N 0 0 310.379 0.195 10 0 DCAERN Cc1cccc(OCCCNC(=O)CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185151046 396319913 /nfs/dbraw/zinc/31/99/13/396319913.db2.gz MDMBWGMPABLCRE-CABCVRRESA-N 0 0 322.405 0.308 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000184493626 396297255 /nfs/dbraw/zinc/29/72/55/396297255.db2.gz FFKQJWXTBAAXPJ-INIZCTEOSA-N 0 0 306.362 0.880 10 0 DCAERN CN(CC(=O)N1Cc2ccccc2C2(CC2)C1)S(C)(=O)=O ZINC000184598370 396300577 /nfs/dbraw/zinc/30/05/77/396300577.db2.gz HJVVBTKEAWMVRI-UHFFFAOYSA-N 0 0 308.403 0.952 10 0 DCAERN CC(C)(CC(N)=O)NC(=O)Cn1cnc2ccccc2c1=O ZINC000184624726 396300935 /nfs/dbraw/zinc/30/09/35/396300935.db2.gz FRMGHSKENBCTFS-UHFFFAOYSA-N 0 0 302.334 0.167 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000264667637 396301586 /nfs/dbraw/zinc/30/15/86/396301586.db2.gz VODMTWLANZCAGD-CYBMUJFWSA-N 0 0 317.393 0.770 10 0 DCAERN COC(=O)C1(CNC(=O)c2cc(C(N)=O)cn2C)CCCCC1 ZINC000184655423 396301742 /nfs/dbraw/zinc/30/17/42/396301742.db2.gz KOILFYUSNDJHCR-UHFFFAOYSA-N 0 0 321.377 0.977 10 0 DCAERN CC1(CNC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)COC1 ZINC000184728223 396303167 /nfs/dbraw/zinc/30/31/67/396303167.db2.gz CZBTWNZOEIQENO-NSHDSACASA-N 0 0 310.375 0.851 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000265345102 396308428 /nfs/dbraw/zinc/30/84/28/396308428.db2.gz QVFBJELDVFPJHE-JTQLQIEISA-N 0 0 312.347 0.179 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1nc(C)c(C)o1 ZINC000184911929 396311031 /nfs/dbraw/zinc/31/10/31/396311031.db2.gz UMGLEBIISXWARE-SNVBAGLBSA-N 0 0 302.352 0.063 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](O)C[C@@H]2CO)n(C(C)(C)C)n1 ZINC000185190911 396321242 /nfs/dbraw/zinc/32/12/42/396321242.db2.gz CIJUOCDFNVHOFO-VXGBXAGGSA-N 0 0 310.398 0.313 10 0 DCAERN CN(C)c1noc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1 ZINC000185256508 396323062 /nfs/dbraw/zinc/32/30/62/396323062.db2.gz JJSVADZZMRNOLW-LBPRGKRZSA-N 0 0 323.397 0.349 10 0 DCAERN CCNC(=O)NC(=O)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185279851 396323848 /nfs/dbraw/zinc/32/38/48/396323848.db2.gz PRKSKNKOYCBPMC-FQEVSTJZSA-N 0 0 303.428 0.455 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185452506 396328234 /nfs/dbraw/zinc/32/82/34/396328234.db2.gz HGNRDKWOWHDJCI-ZIAGYGMSSA-N 0 0 312.410 0.612 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000185551881 396330564 /nfs/dbraw/zinc/33/05/64/396330564.db2.gz VRMMKBMHYIGCCD-QEJZJMRPSA-N 0 0 308.378 0.729 10 0 DCAERN CCCc1nc(CS(=O)(=O)C[C@H](O)C(F)(F)F)no1 ZINC000185701636 396333504 /nfs/dbraw/zinc/33/35/04/396333504.db2.gz JIGRTQZZDUXOLM-LURJTMIESA-N 0 0 302.274 0.860 10 0 DCAERN CN1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)CCC1=O ZINC000265673809 396336311 /nfs/dbraw/zinc/33/63/11/396336311.db2.gz BZPZATDMGWTALY-SNVBAGLBSA-N 0 0 303.318 0.368 10 0 DCAERN NS(=O)(=O)CCCN1CCN(c2cccs2)C(=O)C1 ZINC000186081687 396340473 /nfs/dbraw/zinc/34/04/73/396340473.db2.gz RIEYXXPMJNVCQA-UHFFFAOYSA-N 0 0 303.409 0.075 10 0 DCAERN CC[C@@H]1CN(C(=O)NCC(=O)N(C)CC)CCN1CC(F)F ZINC000186237243 396345596 /nfs/dbraw/zinc/34/55/96/396345596.db2.gz HXXJKIBJCYZIIE-LLVKDONJSA-N 0 0 320.384 0.836 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1COCCN1CC(F)F ZINC000186945214 396360408 /nfs/dbraw/zinc/36/04/08/396360408.db2.gz JSNOYUXNEBTBAM-SNVBAGLBSA-N 0 0 321.368 0.325 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C12CCOCC2 ZINC000187042662 396362585 /nfs/dbraw/zinc/36/25/85/396362585.db2.gz GXEBHGJULNLVPK-CHWSQXEVSA-N 0 0 321.377 0.484 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000268652460 396364731 /nfs/dbraw/zinc/36/47/31/396364731.db2.gz PGHKPYFHKCQNEA-NHYWBVRUSA-N 0 0 323.397 0.154 10 0 DCAERN O=C(N[C@H](CCO)c1ccco1)N[C@H]1CCc2ncnn2C1 ZINC000187310804 396367127 /nfs/dbraw/zinc/36/71/27/396367127.db2.gz YQDIYURXKPHWEX-WDEREUQCSA-N 0 0 305.338 0.609 10 0 DCAERN CNC(=O)[C@@H]1CN(CCC(=O)c2ccc(F)cc2F)CCO1 ZINC000187467619 396369914 /nfs/dbraw/zinc/36/99/14/396369914.db2.gz BPTCVSFPDPFQIZ-AWEZNQCLSA-N 0 0 312.316 0.984 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCC1(OC)CCCCC1 ZINC000186365216 396348514 /nfs/dbraw/zinc/34/85/14/396348514.db2.gz CWAKSTNZNSKVGV-UHFFFAOYSA-N 0 0 306.428 0.733 10 0 DCAERN Cn1nnc2ccc(C(=O)NC[C@@H]3CN(C4CC4)CCO3)cc21 ZINC000186384485 396349066 /nfs/dbraw/zinc/34/90/66/396349066.db2.gz KJZXJAMYKVFVDY-CYBMUJFWSA-N 0 0 315.377 0.561 10 0 DCAERN C[C@H]1OCCN(Cc2noc(-c3ccccc3)n2)[C@@H]1C(N)=O ZINC000285334019 396349360 /nfs/dbraw/zinc/34/93/60/396349360.db2.gz YNTMGVZYAVKAMQ-MFKMUULPSA-N 0 0 302.334 0.811 10 0 DCAERN CCN1CCN(C(=O)CNC(=O)c2cccnc2)C(C)(C)C1=O ZINC000186441595 396349891 /nfs/dbraw/zinc/34/98/91/396349891.db2.gz SUDHXQXJVJJTDP-UHFFFAOYSA-N 0 0 318.377 0.281 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)CN1CCOCC1 ZINC000188365503 396381801 /nfs/dbraw/zinc/38/18/01/396381801.db2.gz IPLVQHJPXXGXGD-KGLIPLIRSA-N 0 0 301.431 0.756 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCOCC(F)F)CCO2)[nH]1 ZINC000188398885 396381858 /nfs/dbraw/zinc/38/18/58/396381858.db2.gz VGTAFEWTYVGWJC-VIFPVBQESA-N 0 0 304.297 0.685 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000188891307 396387854 /nfs/dbraw/zinc/38/78/54/396387854.db2.gz RVFDQOJROWORCM-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000188982203 396389281 /nfs/dbraw/zinc/38/92/81/396389281.db2.gz JAYLPUFCSBXRMA-ZJIFWQFVSA-N 0 0 302.374 0.888 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000189085526 396390665 /nfs/dbraw/zinc/39/06/65/396390665.db2.gz NFUHFASBGDIUQE-HUUCEWRRSA-N 0 0 320.364 0.955 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n[nH]1 ZINC000189173530 396390987 /nfs/dbraw/zinc/39/09/87/396390987.db2.gz OHDMXRBHTSQCIW-UHFFFAOYSA-N 0 0 307.379 0.624 10 0 DCAERN COc1ccnc(N2CCC(C(=O)NC[C@H](C)OC)CC2)n1 ZINC000189136424 396391456 /nfs/dbraw/zinc/39/14/56/396391456.db2.gz MIZMKISHMYUNLE-NSHDSACASA-N 0 0 308.382 0.853 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(F)ccc2O)CC1=O ZINC000189305385 396393281 /nfs/dbraw/zinc/39/32/81/396393281.db2.gz OBAQPMSWZUVNPI-UHFFFAOYSA-N 0 0 310.325 0.852 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N3CCCN(C)C(=O)C3)nn2)cc1 ZINC000189756893 396398267 /nfs/dbraw/zinc/39/82/67/396398267.db2.gz AYDQUUYCMMSBMV-UHFFFAOYSA-N 0 0 313.361 0.880 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCOC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000189768327 396398969 /nfs/dbraw/zinc/39/89/69/396398969.db2.gz ZRRXFDDTGDWMDC-AWEZNQCLSA-N 0 0 322.409 0.952 10 0 DCAERN COC(=O)NCCCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189796532 396399439 /nfs/dbraw/zinc/39/94/39/396399439.db2.gz UBHBKZALPNHFBZ-UHFFFAOYSA-N 0 0 309.370 0.503 10 0 DCAERN C[C@H](CN1CCN(CC(C)(C)O)[C@H](C)C1)CS(C)(=O)=O ZINC000189884372 396400370 /nfs/dbraw/zinc/40/03/70/396400370.db2.gz OSLIVXMDCBKQES-CHWSQXEVSA-N 0 0 306.472 0.444 10 0 DCAERN CCN1CN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1=O ZINC000189985815 396401753 /nfs/dbraw/zinc/40/17/53/396401753.db2.gz HWIYYGZRWCVBCS-LLVKDONJSA-N 0 0 321.356 0.631 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOCC(F)F)C[C@@H]1N1CCOCC1 ZINC000190298271 396404278 /nfs/dbraw/zinc/40/42/78/396404278.db2.gz KLVLNVDZVMJRMK-NEPJUHHUSA-N 0 0 321.368 0.630 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]c(=S)[nH]1 ZINC000193110901 396444459 /nfs/dbraw/zinc/44/44/59/396444459.db2.gz NBLQRZUEBAROCN-SSDOTTSWSA-N 0 0 308.367 0.701 10 0 DCAERN CCN1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1=O ZINC000190500265 396407105 /nfs/dbraw/zinc/40/71/05/396407105.db2.gz LBCAHEPKBJUQBD-JTQLQIEISA-N 0 0 307.316 0.909 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190525207 396407326 /nfs/dbraw/zinc/40/73/26/396407326.db2.gz FRNFAWOJVYIOGO-ZDUSSCGKSA-N 0 0 323.397 0.512 10 0 DCAERN CC[C@H](O)CN1CCN(CCCCCS(=O)(=O)CC)CC1 ZINC000190605170 396408770 /nfs/dbraw/zinc/40/87/70/396408770.db2.gz LQRGGWFXKMJPQC-HNNXBMFYSA-N 0 0 320.499 0.980 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190678202 396410273 /nfs/dbraw/zinc/41/02/73/396410273.db2.gz QWDAGIKTSJLFHV-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN COCCN1CCCN(CC(=O)N(C(C)C)C(C)C)CC1=O ZINC000190808956 396412019 /nfs/dbraw/zinc/41/20/19/396412019.db2.gz FKOJMSXSGJSFHO-UHFFFAOYSA-N 0 0 313.442 0.813 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)s1 ZINC000190860485 396412416 /nfs/dbraw/zinc/41/24/16/396412416.db2.gz KAKUYACMQIPHNX-UHFFFAOYSA-N 0 0 310.379 0.335 10 0 DCAERN CN1CCCN(CC(=O)NCC2(c3ccccc3)CC2)CC1=O ZINC000191068087 396415434 /nfs/dbraw/zinc/41/54/34/396415434.db2.gz JVWMYSRTWPXOGO-UHFFFAOYSA-N 0 0 315.417 0.999 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCCN(C)C(=O)C1 ZINC000191112370 396415679 /nfs/dbraw/zinc/41/56/79/396415679.db2.gz RNQVRNIIXMUQGZ-UHFFFAOYSA-N 0 0 303.406 0.818 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CCS1 ZINC000287720147 396418833 /nfs/dbraw/zinc/41/88/33/396418833.db2.gz JYKAYLJRKYCALS-QWRGUYRKSA-N 0 0 323.422 0.583 10 0 DCAERN COCCN1CCCN(S(=O)(=O)CC2CCCC2)CC1=O ZINC000191400769 396418909 /nfs/dbraw/zinc/41/89/09/396418909.db2.gz OBXTYLLOIRWUBV-UHFFFAOYSA-N 0 0 318.439 0.687 10 0 DCAERN CCC(CC)CS(=O)(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191394781 396418936 /nfs/dbraw/zinc/41/89/36/396418936.db2.gz HJOGHDVLDMNIKA-UHFFFAOYSA-N 0 0 320.455 0.933 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3oc(C)nc3c2)CC1=O ZINC000191516357 396420623 /nfs/dbraw/zinc/42/06/23/396420623.db2.gz JIUWQFUDHABXBM-UHFFFAOYSA-N 0 0 316.317 0.723 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000191728908 396423973 /nfs/dbraw/zinc/42/39/73/396423973.db2.gz KVVRPDIMWFFKSR-ZDUSSCGKSA-N 0 0 300.399 0.191 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N[C@H](C)CO ZINC000191924126 396426835 /nfs/dbraw/zinc/42/68/35/396426835.db2.gz KETNGGKUHOODDR-LLVKDONJSA-N 0 0 302.334 0.616 10 0 DCAERN O=C(NN1CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000192737301 396436677 /nfs/dbraw/zinc/43/66/77/396436677.db2.gz RMFIXQDYBHBHSQ-AWEZNQCLSA-N 0 0 303.362 0.655 10 0 DCAERN Cc1nc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)sc1C ZINC000192970055 396441928 /nfs/dbraw/zinc/44/19/28/396441928.db2.gz ACFFMAWPRPLMDO-SNVBAGLBSA-N 0 0 312.395 0.145 10 0 DCAERN COC(=O)C1(CNC(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000187920161 396376305 /nfs/dbraw/zinc/37/63/05/396376305.db2.gz YWFYFIYZLYWUAD-UHFFFAOYSA-N 0 0 300.318 0.950 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187987387 396377127 /nfs/dbraw/zinc/37/71/27/396377127.db2.gz NVKQHBOBDUOCCE-UHFFFAOYSA-N 0 0 315.373 0.925 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(Cn2cncn2)CC1 ZINC000188177004 396379523 /nfs/dbraw/zinc/37/95/23/396379523.db2.gz QCXHUDIHCQSMOQ-CYBMUJFWSA-N 0 0 323.422 0.438 10 0 DCAERN COC(=O)[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000507277045 396497063 /nfs/dbraw/zinc/49/70/63/396497063.db2.gz HEDAODNFNRFTGJ-GHMZBOCLSA-N 0 0 310.316 0.791 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000372230185 396498986 /nfs/dbraw/zinc/49/89/86/396498986.db2.gz DSAIXTKBUWYJRC-UHFFFAOYSA-N 0 0 319.361 0.545 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H]1CCNC1=O ZINC000594790451 396516036 /nfs/dbraw/zinc/51/60/36/396516036.db2.gz JKKDHJSTARYPJE-SSDOTTSWSA-N 0 0 318.376 0.010 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H](C)CO ZINC000372303367 396504675 /nfs/dbraw/zinc/50/46/75/396504675.db2.gz UVWMXJOYCYYSQK-MXWKQRLJSA-N 0 0 311.382 0.373 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1c[nH]c(=S)[nH]1 ZINC000193374420 396449890 /nfs/dbraw/zinc/44/98/90/396449890.db2.gz YBERLDQEQBJIEW-SECBINFHSA-N 0 0 304.379 0.887 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)sc2nccn12 ZINC000269844115 396451300 /nfs/dbraw/zinc/45/13/00/396451300.db2.gz FSSZRPHOKCDKAF-SECBINFHSA-N 0 0 320.374 0.970 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)c2csc(C(F)(F)F)n2)O1 ZINC000193531865 396453218 /nfs/dbraw/zinc/45/32/18/396453218.db2.gz RXPVADXSPUGUIK-IYSWYEEDSA-N 0 0 323.296 0.925 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000269974777 396456848 /nfs/dbraw/zinc/45/68/48/396456848.db2.gz LUGTXURUTGHDMF-SNVBAGLBSA-N 0 0 303.771 0.634 10 0 DCAERN CCCCC(=O)N1CSC[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000371612069 396472329 /nfs/dbraw/zinc/47/23/29/396472329.db2.gz QNBBVSYJUCZSMA-LBPRGKRZSA-N 0 0 323.422 0.753 10 0 DCAERN CN(CC(=O)N1CCN2CCOC[C@@H]2C1)C(=O)c1cccs1 ZINC000371789052 396476719 /nfs/dbraw/zinc/47/67/19/396476719.db2.gz PYPUBUZVWPSQLV-LBPRGKRZSA-N 0 0 323.418 0.363 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371783502 396476729 /nfs/dbraw/zinc/47/67/29/396476729.db2.gz JOCCMMIANJZVPA-CQSZACIVSA-N 0 0 318.377 0.595 10 0 DCAERN CN(C)[C@H](C(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000371868542 396479111 /nfs/dbraw/zinc/47/91/11/396479111.db2.gz BAIQNDLSLKTOPJ-CVEARBPZSA-N 0 0 303.406 0.832 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N(C)[C@H]1CCSC1 ZINC000516504555 396514831 /nfs/dbraw/zinc/51/48/31/396514831.db2.gz FFXHHPDWPCLAOX-QWRGUYRKSA-N 0 0 323.422 0.502 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371953120 396480976 /nfs/dbraw/zinc/48/09/76/396480976.db2.gz JNOWDSITOZQDOP-XUSGNXJCSA-N 0 0 317.455 0.260 10 0 DCAERN Cc1nccn1CCCCNC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371982406 396481722 /nfs/dbraw/zinc/48/17/22/396481722.db2.gz ADHHKBHVEKOVCS-HNNXBMFYSA-N 0 0 321.425 0.698 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291471039 396492444 /nfs/dbraw/zinc/49/24/44/396492444.db2.gz FEBJBIIPCWUDKP-OQPBUACISA-N 0 0 305.334 0.946 10 0 DCAERN COC(=O)NCCCC(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000373373824 396586903 /nfs/dbraw/zinc/58/69/03/396586903.db2.gz UEHWPKGQQPGPPV-UHFFFAOYSA-N 0 0 310.325 0.992 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(C)C ZINC000530058726 396572986 /nfs/dbraw/zinc/57/29/86/396572986.db2.gz FACCPSWFXUVYJG-AGIUHOORSA-N 0 0 316.423 0.325 10 0 DCAERN CC1(C)CCN1C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000561832002 396647847 /nfs/dbraw/zinc/64/78/47/396647847.db2.gz CUPGNFUAKKGUCE-ZDUSSCGKSA-N 0 0 315.373 0.919 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)CC1=O ZINC000374216139 396648256 /nfs/dbraw/zinc/64/82/56/396648256.db2.gz FXDPAOZJOOWSRV-RFHZTLPTSA-N 0 0 316.405 0.651 10 0 DCAERN CC(C)CCO[C@@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733269 396651556 /nfs/dbraw/zinc/65/15/56/396651556.db2.gz BICQZYYZXBWYGC-ZDUSSCGKSA-N 0 0 320.455 0.979 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000373503963 396594668 /nfs/dbraw/zinc/59/46/68/396594668.db2.gz HIVDCAMORHBSPQ-SMDDNHRTSA-N 0 0 323.418 0.800 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)c1nc[nH]n1 ZINC000373669130 396606152 /nfs/dbraw/zinc/60/61/52/396606152.db2.gz XBTGVCHNYVPHEI-VIFPVBQESA-N 0 0 315.333 0.946 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000294167662 396657326 /nfs/dbraw/zinc/65/73/26/396657326.db2.gz BYVCDHFZSQCXCA-JTQLQIEISA-N 0 0 310.383 0.937 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(C)nc2)C1 ZINC000560894898 396626705 /nfs/dbraw/zinc/62/67/05/396626705.db2.gz IRXQUVKOVFKCQN-KGLIPLIRSA-N 0 0 305.378 0.732 10 0 DCAERN CCCOC[C@@H]1CCN(C(=O)C2CCN(CC(N)=O)CC2)C1 ZINC000584899803 396636548 /nfs/dbraw/zinc/63/65/48/396636548.db2.gz QSDKTGTTXDUYAS-CYBMUJFWSA-N 0 0 311.426 0.459 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)CC2 ZINC000374076474 396637906 /nfs/dbraw/zinc/63/79/06/396637906.db2.gz DFUSBSSWSTWXNU-TUAOUCFPSA-N 0 0 307.398 0.616 10 0 DCAERN COC(=O)[C@@H](CC(C)C)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000586762483 396663236 /nfs/dbraw/zinc/66/32/36/396663236.db2.gz ZUOSCVSLZKVWOD-NWDGAFQWSA-N 0 0 306.428 0.588 10 0 DCAERN C[C@H](CO)N(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000375301572 396725687 /nfs/dbraw/zinc/72/56/87/396725687.db2.gz GUNJQVBGONWTFW-LOIXOFCESA-N 0 0 311.382 0.326 10 0 DCAERN CC(=O)N1CC(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000374749829 396684806 /nfs/dbraw/zinc/68/48/06/396684806.db2.gz JOUAPPDGOZXRTG-TZMCWYRMSA-N 0 0 310.394 0.149 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC(n2ccnn2)C1 ZINC000374804932 396689314 /nfs/dbraw/zinc/68/93/14/396689314.db2.gz FNHMYSLUHUJGOO-IINYFYTJSA-N 0 0 300.318 0.890 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000374912090 396697321 /nfs/dbraw/zinc/69/73/21/396697321.db2.gz DCPFCSYACMHWKI-GFCCVEGCSA-N 0 0 321.308 0.357 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCO[C@H](C)C1 ZINC000300555955 396715618 /nfs/dbraw/zinc/71/56/18/396715618.db2.gz ZAYANPXVYITQSA-KXNHARMFSA-N 0 0 305.396 0.815 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2ncnc(Cl)c2NC)C1 ZINC000302520705 396719299 /nfs/dbraw/zinc/71/92/99/396719299.db2.gz BQOBGFVNOISZIN-UHFFFAOYSA-N 0 0 319.818 0.865 10 0 DCAERN COc1cccc(NC(=O)CN2CCN3CCOC[C@@H]3C2)c1 ZINC000375242817 396721122 /nfs/dbraw/zinc/72/11/22/396721122.db2.gz QWWRSSKDKRXFQJ-AWEZNQCLSA-N 0 0 305.378 0.650 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCOC[C@H]1c1nc[nH]n1 ZINC000375283170 396724223 /nfs/dbraw/zinc/72/42/23/396724223.db2.gz CUQSXHLGHJOUBG-QMMMGPOBSA-N 0 0 307.276 0.199 10 0 DCAERN CC(=O)C[C@@H]1COCCN1S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625124082 396778121 /nfs/dbraw/zinc/77/81/21/396778121.db2.gz URDQUJDTXQPINV-VXGBXAGGSA-N 0 0 305.396 0.564 10 0 DCAERN COC[C@@H](C)OC[C@@H](O)CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375353891 396731295 /nfs/dbraw/zinc/73/12/95/396731295.db2.gz MKHBERXFFKSPTM-DOMZBBRYSA-N 0 0 313.369 0.741 10 0 DCAERN CC(=O)c1cc(C(=O)NCc2nc(C(N)=O)co2)c(C)nc1C ZINC000617488219 396735362 /nfs/dbraw/zinc/73/53/62/396735362.db2.gz SCSLISFUFAFAEQ-UHFFFAOYSA-N 0 0 316.317 0.918 10 0 DCAERN O=C(CN1CC[C@@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000375430815 396744819 /nfs/dbraw/zinc/74/48/19/396744819.db2.gz FVCWLDNEGLBPSS-GFCCVEGCSA-N 0 0 306.366 0.595 10 0 DCAERN O=C(CN1CCCC1=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000600170381 396747335 /nfs/dbraw/zinc/74/73/35/396747335.db2.gz OSIVCXQJMGTKMF-GFCCVEGCSA-N 0 0 317.393 0.941 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)C[C@@H]1O ZINC000305772384 396752844 /nfs/dbraw/zinc/75/28/44/396752844.db2.gz STBJAUUSVISXEM-DYEKYZERSA-N 0 0 306.362 0.857 10 0 DCAERN C[C@@H]1NC(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501535 396771736 /nfs/dbraw/zinc/77/17/36/396771736.db2.gz BFYUYXRDENGQBE-AAEUAGOBSA-N 0 0 304.350 0.223 10 0 DCAERN CCCn1nnnc1CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000328634276 396827317 /nfs/dbraw/zinc/82/73/17/396827317.db2.gz TYGNXEHFZNMXNW-WDEREUQCSA-N 0 0 307.358 0.737 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1cc[nH]n1 ZINC000328656897 396831380 /nfs/dbraw/zinc/83/13/80/396831380.db2.gz ZTMXLNAVFMJVMG-STQMWFEESA-N 0 0 318.356 0.884 10 0 DCAERN O=S(=O)(N1CCC[C@H]1Cn1ccnn1)N1CCCCCC1 ZINC000328935885 396835746 /nfs/dbraw/zinc/83/57/46/396835746.db2.gz QMOSIDKAZNZJLR-ZDUSSCGKSA-N 0 0 313.427 0.863 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000564528100 396840059 /nfs/dbraw/zinc/84/00/59/396840059.db2.gz ZSEVIHFFUFVLJL-LBPRGKRZSA-N 0 0 315.373 0.843 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ncccc1F ZINC000564706578 396857396 /nfs/dbraw/zinc/85/73/96/396857396.db2.gz OUBHDYFTMHVZOD-HNNXBMFYSA-N 0 0 305.309 0.450 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)CCO1 ZINC000376009242 396862162 /nfs/dbraw/zinc/86/21/62/396862162.db2.gz WGYRZAFSRBMGDX-JTQLQIEISA-N 0 0 318.333 0.670 10 0 DCAERN CC1(C)CN(CC(=O)NC(=O)NC2CC2)C[C@@]2(CCOC2)O1 ZINC000564141993 396811807 /nfs/dbraw/zinc/81/18/07/396811807.db2.gz RPFKPFHNFMBUJN-OAHLLOKOSA-N 0 0 311.382 0.245 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnc(C)nc1 ZINC000625241403 396814390 /nfs/dbraw/zinc/81/43/90/396814390.db2.gz WFWWVARCPOZXHB-UHFFFAOYSA-N 0 0 321.381 0.533 10 0 DCAERN CCSc1nccnc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376128297 396882334 /nfs/dbraw/zinc/88/23/34/396882334.db2.gz GHRSFYOOYWWFMN-NSHDSACASA-N 0 0 308.407 0.745 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332762586 396893169 /nfs/dbraw/zinc/89/31/69/396893169.db2.gz WNAOOMAVFJEXRO-MGPQQGTHSA-N 0 0 324.425 0.112 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(C(=O)c2cccn2C)CC1 ZINC000611661412 396905084 /nfs/dbraw/zinc/90/50/84/396905084.db2.gz YSLXRJOITBZTIF-AWEZNQCLSA-N 0 0 305.378 0.735 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2CO)cn1 ZINC000376313762 396908394 /nfs/dbraw/zinc/90/83/94/396908394.db2.gz JGIYGGALKJRNMW-SECBINFHSA-N 0 0 321.349 0.538 10 0 DCAERN C[C@H]1OCC[C@]12CN(S(=O)(=O)[C@@H]1CCCOC1)C[C@@H](C)O2 ZINC000333282028 396921032 /nfs/dbraw/zinc/92/10/32/396921032.db2.gz JSXOYDDZYRPFSS-SYQHCUMBSA-N 0 0 319.423 0.764 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000625589511 396935224 /nfs/dbraw/zinc/93/52/24/396935224.db2.gz MDMXEADPSLDYSO-TXEJJXNPSA-N 0 0 310.375 0.774 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376566819 396947525 /nfs/dbraw/zinc/94/75/25/396947525.db2.gz XIGSEYALARBEKV-FRRDWIJNSA-N 0 0 308.378 0.657 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nn2)c1 ZINC000611935456 396951725 /nfs/dbraw/zinc/95/17/25/396951725.db2.gz SJSVUPOKHTVRND-UHFFFAOYSA-N 0 0 310.335 0.080 10 0 DCAERN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NCc2cn(C)nn2)C1 ZINC000611951181 396957114 /nfs/dbraw/zinc/95/71/14/396957114.db2.gz MIGXTRGGASFSAS-NSHDSACASA-N 0 0 323.397 0.936 10 0 DCAERN C[C@@H](CC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000625729797 396988250 /nfs/dbraw/zinc/98/82/50/396988250.db2.gz ZKGYVAORKRMKEP-JGVFFNPUSA-N 0 0 302.318 0.854 10 0 DCAERN Cn1ccc(CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000571853825 396992972 /nfs/dbraw/zinc/99/29/72/396992972.db2.gz ZSHQKFYCSVVSIM-UHFFFAOYSA-N 0 0 305.260 0.294 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cscn2)[C@@H](C)C1 ZINC000612137339 397006206 /nfs/dbraw/zinc/00/62/06/397006206.db2.gz MNYNYWJLOUVSLH-UWVGGRQHSA-N 0 0 324.406 0.400 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCCc2noc(CC)n2)C1 ZINC000591841406 397007626 /nfs/dbraw/zinc/00/76/26/397007626.db2.gz GAEUUULOVRTCHU-NSHDSACASA-N 0 0 323.397 0.875 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc(C)cc2C)C1 ZINC000344964586 397008918 /nfs/dbraw/zinc/00/89/18/397008918.db2.gz FWDXVXVORODLFD-STQMWFEESA-N 0 0 306.362 0.783 10 0 DCAERN Cc1cc(CO)oc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618675717 397009484 /nfs/dbraw/zinc/00/94/84/397009484.db2.gz FDBBNDPKPQJMSO-SNVBAGLBSA-N 0 0 316.379 0.186 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618677814 397011467 /nfs/dbraw/zinc/01/14/67/397011467.db2.gz YZAPNMNHPDJWRO-AGIUHOORSA-N 0 0 318.439 0.684 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C1 ZINC000572087476 397018336 /nfs/dbraw/zinc/01/83/36/397018336.db2.gz WVQSMYPCWGROCD-ZLCQRPCESA-N 0 0 307.394 0.577 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)[nH]c1C ZINC000618756530 397022803 /nfs/dbraw/zinc/02/28/03/397022803.db2.gz HRDBLKNTLMVVKI-QWRGUYRKSA-N 0 0 309.366 0.818 10 0 DCAERN CCOC(=O)c1csc(N2CC[C@H](S(N)(=O)=O)C2)n1 ZINC000591912514 397032837 /nfs/dbraw/zinc/03/28/37/397032837.db2.gz VIOWBAMBACRDGR-ZETCQYMHSA-N 0 0 305.381 0.187 10 0 DCAERN CO[C@@H]1CN([C@H]2CCN(c3cc(C)nn3C)C2=O)C[C@H]1OC ZINC000328687300 285773452 /nfs/dbraw/zinc/77/34/52/285773452.db2.gz YYCVPPHKSBKIQB-YNEHKIRRSA-N 0 0 308.382 0.179 10 0 DCAERN COc1ccsc1C(=O)NCCCN1CCCS1(=O)=O ZINC000592034562 397072930 /nfs/dbraw/zinc/07/29/30/397072930.db2.gz GYVUQKUCBPSFSW-UHFFFAOYSA-N 0 0 318.420 0.912 10 0 DCAERN CNC(=O)C1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000592033137 397072980 /nfs/dbraw/zinc/07/29/80/397072980.db2.gz BOILHBNKPFSITA-SECBINFHSA-N 0 0 307.316 0.656 10 0 DCAERN COc1cccc([C@H]2CN(C(=O)Cc3cnnn3C)CCO2)c1 ZINC000612533513 397081290 /nfs/dbraw/zinc/08/12/90/397081290.db2.gz UXGSAHFXFCSVJL-OAHLLOKOSA-N 0 0 316.361 0.966 10 0 DCAERN COC(=O)CCSCCNC(=O)c1cccc2ncnn21 ZINC000612413421 397047622 /nfs/dbraw/zinc/04/76/22/397047622.db2.gz XNGSZFBSPHRFHK-UHFFFAOYSA-N 0 0 308.363 0.755 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCCC[C@H](CO)C2)c1Cl ZINC000377231275 397053459 /nfs/dbraw/zinc/05/34/59/397053459.db2.gz JCISZQOJCANPBE-VIFPVBQESA-N 0 0 307.803 0.857 10 0 DCAERN Cc1conc1C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000630939566 397140733 /nfs/dbraw/zinc/14/07/33/397140733.db2.gz GQDGBCBBPPMKTH-KGLIPLIRSA-N 0 0 322.409 0.460 10 0 DCAERN COC(=O)Cc1occc1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000573293940 397153463 /nfs/dbraw/zinc/15/34/63/397153463.db2.gz FNTJGNMCBULXJE-HNNXBMFYSA-N 0 0 309.318 0.627 10 0 DCAERN c1[nH]nc2c1C[C@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000631077059 397164340 /nfs/dbraw/zinc/16/43/40/397164340.db2.gz WBCUOXDJKODFCY-DGCLKSJQSA-N 0 0 302.382 0.685 10 0 DCAERN CN(CC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C(=O)C1CC1 ZINC000598122284 397175732 /nfs/dbraw/zinc/17/57/32/397175732.db2.gz LIYPUOWMGSORAE-CQSZACIVSA-N 0 0 315.373 0.777 10 0 DCAERN CCN1CC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C1=O ZINC000619797832 397193776 /nfs/dbraw/zinc/19/37/76/397193776.db2.gz SABMGEUEHPYFBP-LLVKDONJSA-N 0 0 320.411 0.260 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCc2ccc([S@](C)=O)cc2)C1=O ZINC000619803410 397196544 /nfs/dbraw/zinc/19/65/44/397196544.db2.gz BOQUPODZFWSXOE-DMZKTXOQSA-N 0 0 323.418 0.844 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(CC)C2=O)C1 ZINC000619829232 397198001 /nfs/dbraw/zinc/19/80/01/397198001.db2.gz HHEAPFUQEKEKNF-NWDGAFQWSA-N 0 0 311.382 0.592 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H](CO)C2)C[C@H](C)O1 ZINC000378238537 397217243 /nfs/dbraw/zinc/21/72/43/397217243.db2.gz YICLVXWKHZSTPL-XQQFMLRXSA-N 0 0 306.428 0.435 10 0 DCAERN COCc1cncc(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c1 ZINC000613234972 397224541 /nfs/dbraw/zinc/22/45/41/397224541.db2.gz BSMDTPMQKQXSHU-CQSZACIVSA-N 0 0 322.361 0.614 10 0 DCAERN COC[C@H](C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364608970 397226800 /nfs/dbraw/zinc/22/68/00/397226800.db2.gz WLXKCLBFPKBUNC-RYUDHWBXSA-N 0 0 304.412 0.295 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000574102251 397236575 /nfs/dbraw/zinc/23/65/75/397236575.db2.gz HHJDNSOLLTVLGI-WFASDCNBSA-N 0 0 307.398 0.163 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)C(C)C ZINC000620405882 397267008 /nfs/dbraw/zinc/26/70/08/397267008.db2.gz WMILPTUKBZCZPH-ZIAGYGMSSA-N 0 0 311.426 0.910 10 0 DCAERN CCOC(=O)c1nc(CN2C[C@@H](OC)C[C@H]2CO)cs1 ZINC000380521728 397269511 /nfs/dbraw/zinc/26/95/11/397269511.db2.gz BPUZMUAASNFJPJ-QWRGUYRKSA-N 0 0 300.380 0.901 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1cccc(OCC(=O)OC)c1 ZINC000613534155 397274839 /nfs/dbraw/zinc/27/48/39/397274839.db2.gz KCNANTLWBJBBEX-OAHLLOKOSA-N 0 0 311.334 0.366 10 0 DCAERN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@](C)(CO)COC)c1C ZINC000613534603 397275122 /nfs/dbraw/zinc/27/51/22/397275122.db2.gz NWAKCDRABJHADC-OAHLLOKOSA-N 0 0 312.366 0.935 10 0 DCAERN O=C(c1cc2nccnc2cc1F)N1CCN2CCOC[C@H]2C1 ZINC000365547344 397292651 /nfs/dbraw/zinc/29/26/51/397292651.db2.gz ODNSXEAGJDSUII-LLVKDONJSA-N 0 0 316.336 0.926 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2cc(F)ccc2F)CCN1 ZINC000396697984 397310424 /nfs/dbraw/zinc/31/04/24/397310424.db2.gz HFMBIVFRESUFOK-VIFPVBQESA-N 0 0 304.318 0.912 10 0 DCAERN CC(=O)C1(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000621009388 397331761 /nfs/dbraw/zinc/33/17/61/397331761.db2.gz RZAWZZDNKMTCCG-UHFFFAOYSA-N 0 0 314.338 0.459 10 0 DCAERN CC(C)N1CCC[C@@H](N(C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950598 397333162 /nfs/dbraw/zinc/33/31/62/397333162.db2.gz BSQCXDMTVHLETC-CHWSQXEVSA-N 0 0 302.440 0.752 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC(=O)NCC2(C)C)nc1C ZINC000407953229 397334972 /nfs/dbraw/zinc/33/49/72/397334972.db2.gz CGBXOBKIIBIYQJ-UHFFFAOYSA-N 0 0 300.384 0.111 10 0 DCAERN CO[C@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)c1ccc(O)cc1 ZINC000577528350 397339843 /nfs/dbraw/zinc/33/98/43/397339843.db2.gz FLIDKZCDUUYSKK-GOEBONIOSA-N 0 0 304.346 0.818 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000407967393 397340630 /nfs/dbraw/zinc/34/06/30/397340630.db2.gz QJEQKVJMAMLMJS-NWDGAFQWSA-N 0 0 313.423 0.425 10 0 DCAERN C[C@@H]1CN(C(=O)c2csc(-c3cnn(C)c3)n2)CC(=O)N1C ZINC000407967802 397340705 /nfs/dbraw/zinc/34/07/05/397340705.db2.gz DMSUOISYJIHJGL-SECBINFHSA-N 0 0 319.390 0.846 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC(=O)N1C ZINC000407968759 397341489 /nfs/dbraw/zinc/34/14/89/397341489.db2.gz HATNINKXRVJLEQ-BDAKNGLRSA-N 0 0 321.299 0.086 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H]1CS(N)(=O)=O)C1CCOCC1 ZINC000407997946 397343551 /nfs/dbraw/zinc/34/35/51/397343551.db2.gz YZNZYZXPFMVCLS-ZYHUDNBSSA-N 0 0 304.412 0.329 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC000408039415 397344638 /nfs/dbraw/zinc/34/46/38/397344638.db2.gz XJIBGROOEGLZRB-QPSCCSFWSA-N 0 0 324.421 0.897 10 0 DCAERN CC1(C)CN(C(=O)CCCS(C)(=O)=O)C[C@]2(CCOC2)O1 ZINC000366524119 397371030 /nfs/dbraw/zinc/37/10/30/397371030.db2.gz VHNCYBIGCQQJGO-AWEZNQCLSA-N 0 0 319.423 0.608 10 0 DCAERN C[C@@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366527296 397371999 /nfs/dbraw/zinc/37/19/99/397371999.db2.gz WSGDEGRNJJYEGH-YVECIDJPSA-N 0 0 318.439 0.755 10 0 DCAERN C[S@@](=O)c1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000613811578 397326933 /nfs/dbraw/zinc/32/69/33/397326933.db2.gz AXASVHAKZCFOLM-YEJXKQKISA-N 0 0 308.403 0.581 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CC1 ZINC000577407030 397329680 /nfs/dbraw/zinc/32/96/80/397329680.db2.gz AHKPOYSURAUKHC-GFCCVEGCSA-N 0 0 301.346 0.386 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456473151 397425637 /nfs/dbraw/zinc/42/56/37/397425637.db2.gz IZPHFNDAFXBJRH-AWEZNQCLSA-N 0 0 322.336 0.584 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000366705468 397393686 /nfs/dbraw/zinc/39/36/86/397393686.db2.gz VSMKHKFKELEPQX-SBKAZYGRSA-N 0 0 301.412 0.208 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1O ZINC000614191026 397395976 /nfs/dbraw/zinc/39/59/76/397395976.db2.gz XLVDWBPSVGJEMC-MRXNPFEDSA-N 0 0 302.330 0.947 10 0 DCAERN CCO[C@H]1C[C@](NS(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275422 397415552 /nfs/dbraw/zinc/41/55/52/397415552.db2.gz CLNSGBRREGFJSR-GWCFXTLKSA-N 0 0 320.411 0.320 10 0 DCAERN COc1ccc(OC)c(CN2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000370322789 397469737 /nfs/dbraw/zinc/46/97/37/397469737.db2.gz DTKFTPWUTBRCIW-CYBMUJFWSA-N 0 0 314.407 0.957 10 0 DCAERN CN(C)[C@]1(C(=O)NN2CC(=O)N(C)C2=O)CCc2ccccc21 ZINC000370358631 397475107 /nfs/dbraw/zinc/47/51/07/397475107.db2.gz QHHWMFZSNLRFOJ-MRXNPFEDSA-N 0 0 316.361 0.315 10 0 DCAERN C[C@@H](C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)n1cncn1 ZINC000487736463 397477716 /nfs/dbraw/zinc/47/77/16/397477716.db2.gz GHQYPSAPDXMMNB-IONNQARKSA-N 0 0 302.260 0.992 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1coc(CC)n1 ZINC000488296913 397489102 /nfs/dbraw/zinc/48/91/02/397489102.db2.gz OSTLQLPICQBMRB-DTWKUNHWSA-N 0 0 311.338 0.423 10 0 DCAERN NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cn2cccnc2n1 ZINC000593946113 397485465 /nfs/dbraw/zinc/48/54/65/397485465.db2.gz FFXZFZVFINZEQC-CQSZACIVSA-N 0 0 321.340 0.954 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@@]2(C)CCCNC2=O)CC1)C(F)(F)F ZINC000370447937 397487451 /nfs/dbraw/zinc/48/74/51/397487451.db2.gz RUETVPYAILJXNJ-MFKMUULPSA-N 0 0 321.343 0.998 10 0 DCAERN CCOC(=O)c1ncc(CN2CCC[C@](O)(CO)C2)s1 ZINC000602842279 397499377 /nfs/dbraw/zinc/49/93/77/397499377.db2.gz OVSYUKLTLYPLOZ-CYBMUJFWSA-N 0 0 300.380 0.639 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C ZINC000578976737 397507111 /nfs/dbraw/zinc/50/71/11/397507111.db2.gz ACRKFVSXHRCMRF-NXEZZACHSA-N 0 0 317.345 0.753 10 0 DCAERN NC(=O)CCNC(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000371018935 397532866 /nfs/dbraw/zinc/53/28/66/397532866.db2.gz OZXVLTCZOYOZFJ-CYBMUJFWSA-N 0 0 313.361 0.590 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H](C)NC(N)=O)CC2 ZINC000371041926 397537689 /nfs/dbraw/zinc/53/76/89/397537689.db2.gz GZEOUSJGCURITR-JTQLQIEISA-N 0 0 303.362 0.873 10 0 DCAERN COCC(COC)S(=O)(=O)N1CCCC[C@@H]1C(=O)OC ZINC000603269774 397591367 /nfs/dbraw/zinc/59/13/67/397591367.db2.gz ZNAYGPDMIFDJBB-LLVKDONJSA-N 0 0 309.384 0.005 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1COc2ccccc21 ZINC000603467283 397612590 /nfs/dbraw/zinc/61/25/90/397612590.db2.gz AFQIXEHGLUMHKW-ZDUSSCGKSA-N 0 0 324.402 0.704 10 0 DCAERN Cc1csc([C@H](C)NC(=O)NCCN2C(=O)CNC2=O)n1 ZINC000603534043 397615105 /nfs/dbraw/zinc/61/51/05/397615105.db2.gz HJMOAVMHFQHCAI-QMMMGPOBSA-N 0 0 311.367 0.364 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000608219180 397721204 /nfs/dbraw/zinc/72/12/04/397721204.db2.gz DXZOJPKLHSFLOA-WVWOOGAGSA-N 0 0 321.421 0.807 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(Cc3nnc(C)[nH]3)CC2)on1 ZINC000605422163 397664340 /nfs/dbraw/zinc/66/43/40/397664340.db2.gz NJHWLVFCGYMYNT-UHFFFAOYSA-N 0 0 319.369 0.166 10 0 DCAERN CCOc1nnc(CN2CCN(Cc3nnc(C)[nH]3)CC2)s1 ZINC000605422845 397664976 /nfs/dbraw/zinc/66/49/76/397664976.db2.gz XYUIKNOAJWAHPV-UHFFFAOYSA-N 0 0 323.426 0.681 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3nccn3c2)C1=O ZINC000606198563 397678402 /nfs/dbraw/zinc/67/84/02/397678402.db2.gz LHRKABUFMSBJRL-HNNXBMFYSA-N 0 0 315.333 0.993 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)nc1 ZINC000609889803 397796174 /nfs/dbraw/zinc/79/61/74/397796174.db2.gz NVZVQXOTTIIOPV-LBPRGKRZSA-N 0 0 305.334 0.737 10 0 DCAERN CSC[C@@H](C)NC(=O)NCCCN1CCCS1(=O)=O ZINC000609904468 397797748 /nfs/dbraw/zinc/79/77/48/397797748.db2.gz VDYXIVMXQDRDTC-SNVBAGLBSA-N 0 0 309.457 0.463 10 0 DCAERN Cc1noc(CCCNC(=O)N2CCC[C@H](n3cncn3)C2)n1 ZINC000608666843 397744395 /nfs/dbraw/zinc/74/43/95/397744395.db2.gz DPLYIEGFGUSJDK-LBPRGKRZSA-N 0 0 319.369 0.949 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC(CF)CF)CC12COC2 ZINC000455179533 285882175 /nfs/dbraw/zinc/88/21/75/285882175.db2.gz LBWHNRWBSPIRBN-JTQLQIEISA-N 0 0 306.309 0.515 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000193566970 286329824 /nfs/dbraw/zinc/32/98/24/286329824.db2.gz XAZJDDREWRZWOO-APIJFGDWSA-N 0 0 324.421 0.774 10 0 DCAERN O=C1NCCC[C@@H]1N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000050394902 158011758 /nfs/dbraw/zinc/01/17/58/158011758.db2.gz NUUORPOAEBSZCL-NEPJUHHUSA-N 0 0 312.366 0.912 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1CCCC1=O ZINC000055458653 158022819 /nfs/dbraw/zinc/02/28/19/158022819.db2.gz JNRNOXZZKBJNNW-AVGNSLFASA-N 0 0 308.378 0.942 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000057809429 158025392 /nfs/dbraw/zinc/02/53/92/158025392.db2.gz VJBZJLDPJXEMFS-CQSZACIVSA-N 0 0 317.389 0.330 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCC(O)CC1 ZINC000058111267 158025562 /nfs/dbraw/zinc/02/55/62/158025562.db2.gz VETMJBSSCYZBFM-JXQTWKCFSA-N 0 0 305.378 0.686 10 0 DCAERN NC(=O)NCC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000058971793 158026820 /nfs/dbraw/zinc/02/68/20/158026820.db2.gz GCIZALJUZDNPPH-UHFFFAOYSA-N 0 0 305.256 0.869 10 0 DCAERN CC(C)N(C)S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000058561158 158027198 /nfs/dbraw/zinc/02/71/98/158027198.db2.gz UHTOUUYIERQAOJ-UHFFFAOYSA-N 0 0 309.395 0.942 10 0 DCAERN CCOc1cccc(CNC(=O)CN2CCNC(=O)CC2)c1 ZINC000065954710 158034684 /nfs/dbraw/zinc/03/46/84/158034684.db2.gz PQSGXZIIYGUFIM-UHFFFAOYSA-N 0 0 305.378 0.523 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)[nH]c1 ZINC000067199040 158038915 /nfs/dbraw/zinc/03/89/15/158038915.db2.gz FYFXGXXHJNZMJI-CQSZACIVSA-N 0 0 313.357 0.804 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)NCCCc1cccc(F)c1 ZINC000068498290 158042978 /nfs/dbraw/zinc/04/29/78/158042978.db2.gz XSTKIUFLZDMWNW-UHFFFAOYSA-N 0 0 305.309 0.425 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000069125878 158045272 /nfs/dbraw/zinc/04/52/72/158045272.db2.gz AWFJPIWYYHUPGA-UMNHJUIQSA-N 0 0 316.427 0.733 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2CC2)CC1 ZINC000074765959 158059205 /nfs/dbraw/zinc/05/92/05/158059205.db2.gz CBVRXWBJRFOZFN-UHFFFAOYSA-N 0 0 313.357 0.589 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)C2CCCC2)CC1 ZINC000075017858 158060704 /nfs/dbraw/zinc/06/07/04/158060704.db2.gz QDYXIUZUGUPRPO-UHFFFAOYSA-N 0 0 303.428 0.517 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000075976951 158063134 /nfs/dbraw/zinc/06/31/34/158063134.db2.gz CMJNKSQKBVMJQM-JQWIXIFHSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@@H](O)C[C@H](C)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000077051089 158066038 /nfs/dbraw/zinc/06/60/38/158066038.db2.gz KKBQEPVLKKFYBY-WDEREUQCSA-N 0 0 319.361 0.213 10 0 DCAERN Cn1cc(S(=O)(=O)NCC(=O)N2CCCC2(C)C)cn1 ZINC000077353052 158068050 /nfs/dbraw/zinc/06/80/50/158068050.db2.gz DJFCEPKXXMCSQO-UHFFFAOYSA-N 0 0 300.384 0.099 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077747402 158069883 /nfs/dbraw/zinc/06/98/83/158069883.db2.gz DHZGTASJWIMJPA-XCBNKYQSSA-N 0 0 304.285 0.265 10 0 DCAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)[C@H](C)CO ZINC000077763216 158070196 /nfs/dbraw/zinc/07/01/96/158070196.db2.gz XXQWFJYKIITJPJ-VXGBXAGGSA-N 0 0 307.398 0.762 10 0 DCAERN CC(C)[C@H](C)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000077897456 158071818 /nfs/dbraw/zinc/07/18/18/158071818.db2.gz JYHWRVQEGVBSGT-SNVBAGLBSA-N 0 0 320.436 0.904 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2nccs2)C[C@@H](C)O1 ZINC000081187739 158082772 /nfs/dbraw/zinc/08/27/72/158082772.db2.gz VJHGULYTNSTUJV-NXEZZACHSA-N 0 0 305.425 0.929 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000084210169 158089029 /nfs/dbraw/zinc/08/90/29/158089029.db2.gz FKPMBFSUHJKBFB-ZDUSSCGKSA-N 0 0 308.382 0.342 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1COCCN1)c1ccc(S(C)(=O)=O)cc1 ZINC000088371857 158094601 /nfs/dbraw/zinc/09/46/01/158094601.db2.gz XZAAZRFJSFJWQJ-MFKMUULPSA-N 0 0 312.391 0.256 10 0 DCAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CC(O)(C2CC2)C1 ZINC000089664000 158098508 /nfs/dbraw/zinc/09/85/08/158098508.db2.gz ORSYMXUPYVRLKM-MRVPVSSYSA-N 0 0 306.284 0.381 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990180 158099998 /nfs/dbraw/zinc/09/99/98/158099998.db2.gz YBXAMFDJXJLPDT-SCSAIBSYSA-N 0 0 303.116 0.133 10 0 DCAERN COCCCOC1CN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000091213010 158108345 /nfs/dbraw/zinc/10/83/45/158108345.db2.gz PODQBNACIKGBQK-UHFFFAOYSA-N 0 0 323.397 0.561 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000091781829 158109711 /nfs/dbraw/zinc/10/97/11/158109711.db2.gz MKCBJRYIABBDJX-CQSZACIVSA-N 0 0 304.346 0.802 10 0 DCAERN CCn1c(CN2CCOC[C@H]2C(N)=O)nc2cc(F)ccc21 ZINC000092230816 158111820 /nfs/dbraw/zinc/11/18/20/158111820.db2.gz GZXOCWZBDSFBGE-ZDUSSCGKSA-N 0 0 306.341 0.881 10 0 DCAERN Cc1nc(C(=O)Nc2cccc(-n3cnnn3)c2)c(=O)[nH]c1C ZINC000092248686 158112788 /nfs/dbraw/zinc/11/27/88/158112788.db2.gz ZETPUHZOIASBMD-UHFFFAOYSA-N 0 0 311.305 0.615 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000092229645 158112867 /nfs/dbraw/zinc/11/28/67/158112867.db2.gz LABDWIHIZOYKMK-AWEZNQCLSA-N 0 0 304.325 0.698 10 0 DCAERN CCOC(=O)CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000093701133 158120904 /nfs/dbraw/zinc/12/09/04/158120904.db2.gz AHAUDMYZDZBJCW-LBPRGKRZSA-N 0 0 318.439 0.686 10 0 DCAERN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCNC(=O)CC2)c1C ZINC000103470802 158128442 /nfs/dbraw/zinc/12/84/42/158128442.db2.gz VBBRJHWHOIEPOZ-UHFFFAOYSA-N 0 0 321.377 0.813 10 0 DCAERN Cn1cc(CN2CCCN(CC(=O)NCC3CCC3)CC2)cn1 ZINC000108867714 158136581 /nfs/dbraw/zinc/13/65/81/158136581.db2.gz ZUCPDFFILYDXLU-UHFFFAOYSA-N 0 0 319.453 0.844 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000109018471 158136683 /nfs/dbraw/zinc/13/66/83/158136683.db2.gz VETHPURXLCZZMO-JQWIXIFHSA-N 0 0 303.428 0.850 10 0 DCAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000110684450 158139060 /nfs/dbraw/zinc/13/90/60/158139060.db2.gz IPYMHIITZDPVRJ-VXGBXAGGSA-N 0 0 303.428 0.551 10 0 DCAERN Cc1noc(COCC(=O)NCc2nnc3n2CCCC3)n1 ZINC000114318578 158151132 /nfs/dbraw/zinc/15/11/32/158151132.db2.gz LIDGQATUWSEDIN-UHFFFAOYSA-N 0 0 306.326 0.139 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)Nc2nnc3n(C)[nH]c(C)c2-3)C1 ZINC000114429691 158153196 /nfs/dbraw/zinc/15/31/96/158153196.db2.gz NMCMTPFCVMRJNT-JTQLQIEISA-N 0 0 304.354 0.802 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC(n3cncn3)CC2)C1=O ZINC000114838025 158157700 /nfs/dbraw/zinc/15/77/00/158157700.db2.gz LXNXUIHWSLPAQS-ZDUSSCGKSA-N 0 0 320.397 0.634 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)N(CC)CC)CC2 ZINC000114874842 158158914 /nfs/dbraw/zinc/15/89/14/158158914.db2.gz KLDAZJFMNJCFCT-JTQLQIEISA-N 0 0 301.416 0.332 10 0 DCAERN CCN(C(=O)c1cccc(-n2cncn2)c1)[C@@H]1CC(=O)NC1=O ZINC000115352962 158161628 /nfs/dbraw/zinc/16/16/28/158161628.db2.gz KLDKURRAZFLKPK-GFCCVEGCSA-N 0 0 313.317 0.145 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CCSc3nnnn3C)C2)cn1 ZINC000116124213 158164965 /nfs/dbraw/zinc/16/49/65/158164965.db2.gz DONFNRRVAQIICS-SNVBAGLBSA-N 0 0 321.410 0.442 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891802 158168487 /nfs/dbraw/zinc/16/84/87/158168487.db2.gz YBLHDJAZGAAMFX-STQMWFEESA-N 0 0 317.455 0.257 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116899493 158168707 /nfs/dbraw/zinc/16/87/07/158168707.db2.gz RCXXBAOHVOIIRB-ZDUSSCGKSA-N 0 0 316.427 0.583 10 0 DCAERN O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N1CCC(O)CC1 ZINC000119850955 158191411 /nfs/dbraw/zinc/19/14/11/158191411.db2.gz NEQVEGXWNOIJLW-AWEZNQCLSA-N 0 0 318.373 0.980 10 0 DCAERN Cc1ocnc1C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000119953465 158192247 /nfs/dbraw/zinc/19/22/47/158192247.db2.gz QDYZTXOBYJMNHE-LLVKDONJSA-N 0 0 313.379 0.623 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000119992493 158192302 /nfs/dbraw/zinc/19/23/02/158192302.db2.gz YEDKTUFFBAUDGX-HZMBPMFUSA-N 0 0 309.391 0.898 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000120154799 158195047 /nfs/dbraw/zinc/19/50/47/158195047.db2.gz KKFULCLFWZRPTO-NWDGAFQWSA-N 0 0 302.396 0.049 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(n2cncn2)CC1 ZINC000120362834 158198357 /nfs/dbraw/zinc/19/83/57/158198357.db2.gz JPYLBPUKKGWXMU-GFCCVEGCSA-N 0 0 309.395 0.363 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)CC2CCC2)cc1 ZINC000120348510 158198394 /nfs/dbraw/zinc/19/83/94/158198394.db2.gz HFWLHLPQULNMBK-UHFFFAOYSA-N 0 0 318.420 0.554 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000120603358 158200336 /nfs/dbraw/zinc/20/03/36/158200336.db2.gz FCXSRRKFPIGUNA-LBPRGKRZSA-N 0 0 309.414 0.280 10 0 DCAERN CC(C)(O)CNC(=O)[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)O ZINC000120858968 158203859 /nfs/dbraw/zinc/20/38/59/158203859.db2.gz WBGVQQDCWCAGPM-QWRGUYRKSA-N 0 0 300.399 0.177 10 0 DCAERN CCN(CC(C)(C)O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000121023103 158207146 /nfs/dbraw/zinc/20/71/46/158207146.db2.gz UVGUBMSAOUYHSG-CYBMUJFWSA-N 0 0 301.431 0.900 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)N(C)C)c1ccc(-n2ccnn2)cc1 ZINC000121385610 158210184 /nfs/dbraw/zinc/21/01/84/158210184.db2.gz VKDRFMFMLLGBES-LLVKDONJSA-N 0 0 316.365 0.716 10 0 DCAERN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000121682393 158213285 /nfs/dbraw/zinc/21/32/85/158213285.db2.gz DBMNZLVLCSJKJY-HZPDHXFCSA-N 0 0 309.454 0.897 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CCO2)[nH]1 ZINC000121657927 158213455 /nfs/dbraw/zinc/21/34/55/158213455.db2.gz HUTMGRHELIFMBA-CYBMUJFWSA-N 0 0 321.425 0.999 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000121745576 158214508 /nfs/dbraw/zinc/21/45/08/158214508.db2.gz FVBKVUXJMGIJHU-NWDGAFQWSA-N 0 0 316.423 0.281 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)CCS1(=O)=O ZINC000122024771 158217140 /nfs/dbraw/zinc/21/71/40/158217140.db2.gz RWAAQIHYFUGZCO-SNVBAGLBSA-N 0 0 304.412 0.184 10 0 DCAERN Cc1c(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cnn1C ZINC000122096755 158218645 /nfs/dbraw/zinc/21/86/45/158218645.db2.gz ANLVOPRLFXOKCK-CQSZACIVSA-N 0 0 307.398 0.345 10 0 DCAERN CN(CC(C)(C)O)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000122251803 158219815 /nfs/dbraw/zinc/21/98/15/158219815.db2.gz MANNOKOQPZJEGN-UHFFFAOYSA-N 0 0 307.398 0.858 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122298362 158220225 /nfs/dbraw/zinc/22/02/25/158220225.db2.gz WWDQKRLOGTUXDC-VXGBXAGGSA-N 0 0 316.423 0.423 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CC(CO)C1)c1c(F)cccc1F ZINC000122482090 158221841 /nfs/dbraw/zinc/22/18/41/158221841.db2.gz QOMSJNVKHUEWIC-CYBMUJFWSA-N 0 0 312.316 0.983 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)cn1 ZINC000122597760 158221946 /nfs/dbraw/zinc/22/19/46/158221946.db2.gz IUXHEWFLETYSSB-VXGBXAGGSA-N 0 0 306.366 0.458 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC(CO)C1 ZINC000122727976 158222729 /nfs/dbraw/zinc/22/27/29/158222729.db2.gz SBTXOCPTABHLQU-NSHDSACASA-N 0 0 310.300 0.768 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000122731960 158223331 /nfs/dbraw/zinc/22/33/31/158223331.db2.gz SOZKLUOBBOVDCL-SNVBAGLBSA-N 0 0 307.331 0.981 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000123183502 158226691 /nfs/dbraw/zinc/22/66/91/158226691.db2.gz DPJWXNKKYAGQNY-VIFPVBQESA-N 0 0 318.782 0.767 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N1CCCC[C@H]1CN1CCOCC1 ZINC000123947375 158235301 /nfs/dbraw/zinc/23/53/01/158235301.db2.gz GNBUMJFCYFGZCO-KBPBESRZSA-N 0 0 310.394 0.653 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)NCc1cccc(N(C)C)n1 ZINC000124432455 158242368 /nfs/dbraw/zinc/24/23/68/158242368.db2.gz HQNPCWXHTGWNFI-ZDUSSCGKSA-N 0 0 306.366 0.011 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000124415692 158242482 /nfs/dbraw/zinc/24/24/82/158242482.db2.gz KZMBEUCYHFNGDU-NSHDSACASA-N 0 0 320.384 0.884 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N1CCN(C2CC2)CC1 ZINC000124631620 158245337 /nfs/dbraw/zinc/24/53/37/158245337.db2.gz LHKSAIIMEQSPOQ-GFCCVEGCSA-N 0 0 301.412 0.053 10 0 DCAERN NC(=O)NCC(=O)NCc1ccccc1OCC(F)(F)F ZINC000124723050 158246924 /nfs/dbraw/zinc/24/69/24/158246924.db2.gz WSVMNQOSEWFSQT-UHFFFAOYSA-N 0 0 305.256 0.912 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000125217379 158252497 /nfs/dbraw/zinc/25/24/97/158252497.db2.gz DYRVWNWTWRZJSR-OLZOCXBDSA-N 0 0 314.430 0.311 10 0 DCAERN CN1C(=O)C[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000126218242 158263957 /nfs/dbraw/zinc/26/39/57/158263957.db2.gz KJPHQDWVVYUQNU-AWEZNQCLSA-N 0 0 315.373 0.638 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000126496338 158265999 /nfs/dbraw/zinc/26/59/99/158265999.db2.gz QJFIZRWVZGRKBT-RYUDHWBXSA-N 0 0 318.439 0.573 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CSC[C@@H]1C(=O)NCC(C)C ZINC000126652128 158266159 /nfs/dbraw/zinc/26/61/59/158266159.db2.gz DKXYYCDPLJREOS-GFCCVEGCSA-N 0 0 323.418 0.971 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)CN3CCCCC3=O)[C@@H]2C1 ZINC000126803008 158267203 /nfs/dbraw/zinc/26/72/03/158267203.db2.gz LKXWDJWUZVZEEP-MGPQQGTHSA-N 0 0 310.394 0.794 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000127019474 158270457 /nfs/dbraw/zinc/27/04/57/158270457.db2.gz XTJJZQVEHKZGLU-AWEZNQCLSA-N 0 0 314.407 0.705 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000127348784 158273085 /nfs/dbraw/zinc/27/30/85/158273085.db2.gz ONUGGESCYJUMGH-CQSZACIVSA-N 0 0 317.397 0.905 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000128605812 158282649 /nfs/dbraw/zinc/28/26/49/158282649.db2.gz JSBCYKFGYQYKGG-LLVKDONJSA-N 0 0 311.407 0.954 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@@H](c2ccco2)C1 ZINC000129123356 158286241 /nfs/dbraw/zinc/28/62/41/158286241.db2.gz FZDMLJHNNMXLBN-WCQYABFASA-N 0 0 317.349 0.969 10 0 DCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CCC(OCCO)CC1 ZINC000129230489 158286521 /nfs/dbraw/zinc/28/65/21/158286521.db2.gz WGOPKRRMSPAJOU-CMPLNLGQSA-N 0 0 301.387 0.069 10 0 DCAERN Cc1noc(CCNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000131618679 158304638 /nfs/dbraw/zinc/30/46/38/158304638.db2.gz MSIYKMLYRJZVKB-NOZJJQNGSA-N 0 0 310.379 0.491 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000133444335 158319587 /nfs/dbraw/zinc/31/95/87/158319587.db2.gz TYPVDQHFNFAYOY-CYBMUJFWSA-N 0 0 305.382 0.568 10 0 DCAERN COCCOCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133456436 158319878 /nfs/dbraw/zinc/31/98/78/158319878.db2.gz QUOAMUXPWDZZKP-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCN(Cc3ccon3)CC2)C1 ZINC000133541808 158320678 /nfs/dbraw/zinc/32/06/78/158320678.db2.gz GGXHTOOANVAOMT-CYBMUJFWSA-N 0 0 321.381 0.123 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133784863 158322368 /nfs/dbraw/zinc/32/23/68/158322368.db2.gz IFIFYVMIMCDNCB-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000134734356 158330335 /nfs/dbraw/zinc/33/03/35/158330335.db2.gz TVGZUIHWWPATLJ-LLVKDONJSA-N 0 0 300.384 0.403 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000134983030 158331855 /nfs/dbraw/zinc/33/18/55/158331855.db2.gz MQDGMEPPLWDCPT-GDBMZVCRSA-N 0 0 311.341 0.586 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C(N)=O)C(C)C)CC2 ZINC000135296229 158335511 /nfs/dbraw/zinc/33/55/11/158335511.db2.gz XZPXJICLHHWJAR-ZYHUDNBSSA-N 0 0 322.413 0.525 10 0 DCAERN CN1C[C@@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1=O ZINC000135419387 158336084 /nfs/dbraw/zinc/33/60/84/158336084.db2.gz ADOXYJOYOJFYAM-JSGCOSHPSA-N 0 0 304.346 0.770 10 0 DCAERN O=C(CCn1cncn1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000135406662 158336515 /nfs/dbraw/zinc/33/65/15/158336515.db2.gz DFYUBNSIOKXZND-AWEZNQCLSA-N 0 0 302.334 0.974 10 0 DCAERN Cc1nc(C(=O)NCc2cccnc2-n2cccn2)c(=O)[nH]c1C ZINC000135707446 158339988 /nfs/dbraw/zinc/33/99/88/158339988.db2.gz IVJGZRUCUDOKJO-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN CN(C(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)C1CC1 ZINC000135744421 158340244 /nfs/dbraw/zinc/34/02/44/158340244.db2.gz UUUAHGRQRGEUBX-ZDUSSCGKSA-N 0 0 315.439 0.107 10 0 DCAERN NC(=O)COCCNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000136017959 158340907 /nfs/dbraw/zinc/34/09/07/158340907.db2.gz GSCCDCQADHIULJ-UHFFFAOYSA-N 0 0 322.752 0.757 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](C)CCOC)CCO2)[nH]1 ZINC000138313171 158346814 /nfs/dbraw/zinc/34/68/14/158346814.db2.gz IASOPOQLKDDLCY-QWRGUYRKSA-N 0 0 311.386 0.875 10 0 DCAERN CC(C)n1nnnc1CN1CCN(Cc2cccnc2)CC1 ZINC000162365373 158359937 /nfs/dbraw/zinc/35/99/37/158359937.db2.gz NYGPBPPNZSUECY-UHFFFAOYSA-N 0 0 301.398 0.967 10 0 DCAERN C[C@@H](O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000167138605 158367006 /nfs/dbraw/zinc/36/70/06/158367006.db2.gz DEHKBEPEFCBTDW-MRVPVSSYSA-N 0 0 304.368 0.419 10 0 DCAERN O=C(CN1CSCC1=O)NCCOc1ccc(F)cc1F ZINC000170951667 158377924 /nfs/dbraw/zinc/37/79/24/158377924.db2.gz WKXJVHCNMVRACI-UHFFFAOYSA-N 0 0 316.329 0.993 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3c[nH]nc3C)CC2)no1 ZINC000171864268 158387646 /nfs/dbraw/zinc/38/76/46/158387646.db2.gz JWCNHGKJTNPUOP-UHFFFAOYSA-N 0 0 304.354 0.758 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N3CCC[C@@H]3C(N)=O)s2)cn1 ZINC000171969497 158388911 /nfs/dbraw/zinc/38/89/11/158388911.db2.gz MJERHPRPXGTOKN-SECBINFHSA-N 0 0 305.363 0.634 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC1CCOCC1)CC2 ZINC000172023234 158389533 /nfs/dbraw/zinc/38/95/33/158389533.db2.gz BVZVSHNLPJKEOV-LBPRGKRZSA-N 0 0 307.398 0.881 10 0 DCAERN C[S@@](=O)c1nncn1CC(=O)Nc1cc(F)cc(F)c1 ZINC000171983167 158389725 /nfs/dbraw/zinc/38/97/25/158389725.db2.gz NUWGCKISKWZDAG-HXUWFJFHSA-N 0 0 300.290 0.932 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000172212167 158392299 /nfs/dbraw/zinc/39/22/99/158392299.db2.gz GPMXDWFWHZQMMF-LBPRGKRZSA-N 0 0 323.356 0.793 10 0 DCAERN COc1cc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccn1 ZINC000172534446 158395024 /nfs/dbraw/zinc/39/50/24/158395024.db2.gz PFACMQJOACWEFS-NWDGAFQWSA-N 0 0 306.366 0.934 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N(CCO)C1CC1 ZINC000172536385 158395515 /nfs/dbraw/zinc/39/55/15/158395515.db2.gz HWPZIYUKUFFBLS-UHFFFAOYSA-N 0 0 316.317 0.658 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000172625080 158396894 /nfs/dbraw/zinc/39/68/94/158396894.db2.gz IYPXOFSPZOGILS-GFCCVEGCSA-N 0 0 317.267 0.337 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C)Cc2nc[nH]n2)cc1C ZINC000172645451 158397550 /nfs/dbraw/zinc/39/75/50/158397550.db2.gz QGGKSBLTPRDQGC-UHFFFAOYSA-N 0 0 301.350 0.810 10 0 DCAERN COC[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000172630368 158397555 /nfs/dbraw/zinc/39/75/55/158397555.db2.gz AFGIYGUOVMKTMQ-GXTWGEPZSA-N 0 0 310.394 0.651 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000176208011 158434042 /nfs/dbraw/zinc/43/40/42/158434042.db2.gz DPTPFIBGCNDQAR-LLVKDONJSA-N 0 0 314.411 0.397 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N(C)[C@H](C)COC)CC2 ZINC000176898759 158442999 /nfs/dbraw/zinc/44/29/99/158442999.db2.gz VWEIEYFTNVZFDX-GHMZBOCLSA-N 0 0 311.386 0.416 10 0 DCAERN COC(=O)[C@H](C)CC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000178175239 158454261 /nfs/dbraw/zinc/45/42/61/158454261.db2.gz AYTHXJKFMSBSQX-LLVKDONJSA-N 0 0 324.381 0.612 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178388093 158457032 /nfs/dbraw/zinc/45/70/32/158457032.db2.gz REUYTBWGADQVSC-RDBSUJKOSA-N 0 0 303.424 0.980 10 0 DCAERN Cc1cnn(CCNC(=O)c2cnc3c(C)cccn3c2=O)c1 ZINC000180196078 158476381 /nfs/dbraw/zinc/47/63/81/158476381.db2.gz PSDBZWPHFAFQIP-UHFFFAOYSA-N 0 0 311.345 0.938 10 0 DCAERN O=C(Nc1ccon1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000180494718 158478649 /nfs/dbraw/zinc/47/86/49/158478649.db2.gz PUDGTLKVQCIGJH-NSHDSACASA-N 0 0 308.338 0.777 10 0 DCAERN Cn1cnn(CC(=O)NC[C@H]2CCN(C)c3ccccc32)c1=O ZINC000180850381 158481371 /nfs/dbraw/zinc/48/13/71/158481371.db2.gz ABRMAFOPUJARTC-GFCCVEGCSA-N 0 0 315.377 0.322 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cccnc2-n2cncn2)[C@H](C)CO1 ZINC000182323086 158491659 /nfs/dbraw/zinc/49/16/59/158491659.db2.gz UVZBMFZXYBMQLK-VXGBXAGGSA-N 0 0 316.365 0.981 10 0 DCAERN CCCCNC(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064143 158504521 /nfs/dbraw/zinc/50/45/21/158504521.db2.gz CXHDQZVDMJOZID-CYBMUJFWSA-N 0 0 321.425 0.912 10 0 DCAERN CCN(C)C(=O)CNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000184460790 158508656 /nfs/dbraw/zinc/50/86/56/158508656.db2.gz GUBCNUVTLZGCBV-UHFFFAOYSA-N 0 0 317.349 0.659 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186783204 158534697 /nfs/dbraw/zinc/53/46/97/158534697.db2.gz QTXKDWLFNSPEKN-GHMZBOCLSA-N 0 0 322.365 0.651 10 0 DCAERN Cc1ccc(C[C@H](CO)NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000188045380 158542592 /nfs/dbraw/zinc/54/25/92/158542592.db2.gz QIVPRWVCXYCUTC-CVEARBPZSA-N 0 0 321.421 0.528 10 0 DCAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCCN(C)C(=O)C3)ccc2O1 ZINC000188209522 158543595 /nfs/dbraw/zinc/54/35/95/158543595.db2.gz YQGFIBJBYHBYIS-LLVKDONJSA-N 0 0 324.402 0.863 10 0 DCAERN C[C@@H](C[S@@](C)=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188921443 158548343 /nfs/dbraw/zinc/54/83/43/158548343.db2.gz UOVKWLOHYYKAHS-GWNMQOMSSA-N 0 0 301.412 0.064 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]2CO)cc1 ZINC000189705733 158554255 /nfs/dbraw/zinc/55/42/55/158554255.db2.gz XEAFBSJOYJXIHS-GXFFZTMASA-N 0 0 312.391 0.438 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189778070 158555655 /nfs/dbraw/zinc/55/56/55/158555655.db2.gz MHLQNPLVFPYYDJ-CQSZACIVSA-N 0 0 319.409 0.625 10 0 DCAERN Cn1cnn(CC(=O)N[C@H]2CCCc3c(O)cccc32)c1=O ZINC000190309184 158559458 /nfs/dbraw/zinc/55/94/58/158559458.db2.gz OHDQBKHNWMHNBI-LBPRGKRZSA-N 0 0 302.334 0.481 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccc2ncccc21)C(=O)N(C)C ZINC000190580448 158561207 /nfs/dbraw/zinc/56/12/07/158561207.db2.gz MITKGRJANWJMSK-JTQLQIEISA-N 0 0 307.375 0.990 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)NCCOCC(F)F ZINC000190642376 158562315 /nfs/dbraw/zinc/56/23/15/158562315.db2.gz KVOGOJSWTLBASC-UHFFFAOYSA-N 0 0 305.281 0.882 10 0 DCAERN CSC1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000191431319 158567750 /nfs/dbraw/zinc/56/77/50/158567750.db2.gz LHMRTIDAPRFIRE-GFCCVEGCSA-N 0 0 312.435 0.979 10 0 DCAERN CNC(=O)C1CN(C(=O)C(=O)Nc2nc(C(C)C)cs2)C1 ZINC000193297552 158582249 /nfs/dbraw/zinc/58/22/49/158582249.db2.gz DVKHMXYPIIQOJI-UHFFFAOYSA-N 0 0 310.379 0.409 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@H]1COc2ccccc21 ZINC000194871403 158601997 /nfs/dbraw/zinc/60/19/97/158601997.db2.gz REDJWGNNPQTIIQ-LBPRGKRZSA-N 0 0 310.313 0.746 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245758102 158653007 /nfs/dbraw/zinc/65/30/07/158653007.db2.gz DZZUSLPINJQMHE-UMSGYPCISA-N 0 0 310.419 0.982 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CCN(C)C[C@@H]3C)c(=O)n2c1 ZINC000408114186 292394693 /nfs/dbraw/zinc/39/46/93/292394693.db2.gz WHNGTXVSHKWRSL-LBPRGKRZSA-N 0 0 300.362 0.779 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000246877455 158673323 /nfs/dbraw/zinc/67/33/23/158673323.db2.gz LQZSOXYRVDVYQW-ADEWGFFLSA-N 0 0 305.382 0.610 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000184954113 292399323 /nfs/dbraw/zinc/39/93/23/292399323.db2.gz JSSUPSSJDJOHPD-JHJVBQTASA-N 0 0 303.424 0.941 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)nc1 ZINC000262413608 158810567 /nfs/dbraw/zinc/81/05/67/158810567.db2.gz YLQUMOLTGUZKCV-LLVKDONJSA-N 0 0 303.240 0.320 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000300158377 158978297 /nfs/dbraw/zinc/97/82/97/158978297.db2.gz CJZNBWPWUCONHB-KXNHARMFSA-N 0 0 305.396 0.361 10 0 DCAERN CSC[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000300408465 158978383 /nfs/dbraw/zinc/97/83/83/158978383.db2.gz NAPNQTHMZZGVFK-GMTAPVOTSA-N 0 0 312.457 0.044 10 0 DCAERN CCS(=O)(=O)C1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000328611928 159015817 /nfs/dbraw/zinc/01/58/17/159015817.db2.gz OWKBFKILAUHYAY-ZDUSSCGKSA-N 0 0 300.424 0.649 10 0 DCAERN Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000328692809 159021487 /nfs/dbraw/zinc/02/14/87/159021487.db2.gz FMCCRCDYDWEEJN-LBPRGKRZSA-N 0 0 305.382 0.666 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)O4)no2)c1 ZINC000328729443 159025038 /nfs/dbraw/zinc/02/50/38/159025038.db2.gz HHUKFHJRSOZLJV-BETUJISGSA-N 0 0 318.333 0.468 10 0 DCAERN COc1cccc(CC(=O)N2CCc3c(ncn(C)c3=O)C2)n1 ZINC000328749919 159026721 /nfs/dbraw/zinc/02/67/21/159026721.db2.gz MNOOESLXJBHDNI-UHFFFAOYSA-N 0 0 314.345 0.311 10 0 DCAERN COCc1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cs1 ZINC000328902465 159039326 /nfs/dbraw/zinc/03/93/26/159039326.db2.gz GQIFVEJKGNZPGX-RYUDHWBXSA-N 0 0 311.407 0.835 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000328905477 159040214 /nfs/dbraw/zinc/04/02/14/159040214.db2.gz KBFHKGVRTUZBDK-CHWSQXEVSA-N 0 0 307.398 0.072 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000328920840 159041502 /nfs/dbraw/zinc/04/15/02/159041502.db2.gz BGWLTUQJBDGOLY-LSDHHAIUSA-N 0 0 317.389 0.705 10 0 DCAERN O=C(C[C@@H]1CCCCNC1=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000328930182 159042588 /nfs/dbraw/zinc/04/25/88/159042588.db2.gz YYTCCOFLVFUMFP-QWRGUYRKSA-N 0 0 307.354 0.851 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)cn1C ZINC000328955423 159046181 /nfs/dbraw/zinc/04/61/81/159046181.db2.gz YWDGSJDAOYEKBF-NSHDSACASA-N 0 0 310.383 0.173 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC000328984672 159050281 /nfs/dbraw/zinc/05/02/81/159050281.db2.gz SWLXBTCYESXETR-KGLIPLIRSA-N 0 0 306.410 0.532 10 0 DCAERN CCn1nncc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329029836 159054148 /nfs/dbraw/zinc/05/41/48/159054148.db2.gz PGNGOIIVGIAAHY-ZDUSSCGKSA-N 0 0 320.441 0.539 10 0 DCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000329044544 159054949 /nfs/dbraw/zinc/05/49/49/159054949.db2.gz UJUPBWSDOVLYCV-TZMCWYRMSA-N 0 0 318.377 0.331 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(C2CC2)CC1 ZINC000329056183 159056647 /nfs/dbraw/zinc/05/66/47/159056647.db2.gz SNDMRRGPSGNSQF-OKILXGFUSA-N 0 0 319.405 0.468 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(C2CC2)CC1 ZINC000329056184 159057351 /nfs/dbraw/zinc/05/73/51/159057351.db2.gz SNDMRRGPSGNSQF-ZIAGYGMSSA-N 0 0 319.405 0.468 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCOC[C@@H]2c2nc[nH]n2)[nH]1 ZINC000329139556 159066459 /nfs/dbraw/zinc/06/64/59/159066459.db2.gz IWLSGEUYTRUONC-SNVBAGLBSA-N 0 0 313.321 0.598 10 0 DCAERN O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@@](F)(CO)C1 ZINC000329251384 159076605 /nfs/dbraw/zinc/07/66/05/159076605.db2.gz XZVKVCHIWCBKRE-HOCLYGCPSA-N 0 0 314.401 0.810 10 0 DCAERN O=C(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000329269685 159078608 /nfs/dbraw/zinc/07/86/08/159078608.db2.gz FGIHJBDIMIJSSZ-GFCCVEGCSA-N 0 0 320.374 0.574 10 0 DCAERN Cn1[nH]c(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)nc1=O ZINC000329279233 159079446 /nfs/dbraw/zinc/07/94/46/159079446.db2.gz LNSDLNRYBMLQJN-LBPRGKRZSA-N 0 0 307.335 0.342 10 0 DCAERN CN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)[C@H]1CCOC1 ZINC000329288194 159080010 /nfs/dbraw/zinc/08/00/10/159080010.db2.gz MQGZPOHQAWBAQZ-ZDUSSCGKSA-N 0 0 317.345 0.804 10 0 DCAERN O=C([C@@H]1C[C@]12CCOc1ccccc12)N1C[C@H](O)C[C@H]1CO ZINC000329356808 159085371 /nfs/dbraw/zinc/08/53/71/159085371.db2.gz HCLRABCMDYECDW-IFOZYUSPSA-N 0 0 303.358 0.681 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(C[C@@H]2CCOC2)C2CC2)O1 ZINC000329551696 159102222 /nfs/dbraw/zinc/10/22/22/159102222.db2.gz PLDIJVQELSHDPF-YUTCNCBUSA-N 0 0 310.394 0.650 10 0 DCAERN Cc1cc(C(=O)N2CCN3C(=O)N=NC3C2)c2cnn(C)c2n1 ZINC000329623564 159106970 /nfs/dbraw/zinc/10/69/70/159106970.db2.gz HMWPYLXJVBEVFC-UHFFFAOYSA-N 0 0 313.321 0.230 10 0 DCAERN c1nc2n(n1)CCN(c1nnc(C3CC3)n1C[C@H]1CCCO1)C2 ZINC000329615756 159107146 /nfs/dbraw/zinc/10/71/46/159107146.db2.gz FLJGSJVDGRXDCQ-GFCCVEGCSA-N 0 0 315.381 0.946 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)nn1 ZINC000329620652 159107385 /nfs/dbraw/zinc/10/73/85/159107385.db2.gz FMADXQSDZLTAHN-CDGCEXEKSA-N 0 0 323.397 0.029 10 0 DCAERN Cn1ccnc(N2CCC(c3ccnn3CCO)CC2)c1=O ZINC000329699254 159113278 /nfs/dbraw/zinc/11/32/78/159113278.db2.gz DBYRZZIJINZITL-UHFFFAOYSA-N 0 0 303.366 0.353 10 0 DCAERN CC[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1N1CCOCC1 ZINC000329746656 159116322 /nfs/dbraw/zinc/11/63/22/159116322.db2.gz RYLFPCVQBLGIRA-CHWSQXEVSA-N 0 0 307.398 0.306 10 0 DCAERN C[C@H](C(=O)Nc1cc([C@@H]2CCCOC2)nn1C)N1CCOCC1 ZINC000329863535 159123996 /nfs/dbraw/zinc/12/39/96/159123996.db2.gz RYKXZUUYXJPGJL-CHWSQXEVSA-N 0 0 322.409 0.973 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CCN(C3CC3)CC2)c(=O)c1 ZINC000329879012 159125752 /nfs/dbraw/zinc/12/57/52/159125752.db2.gz LQVVJUWBUGMSPG-KRWDZBQOSA-N 0 0 319.405 0.214 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)N2CCO[C@H](C3CC3)C2)c(=O)c1 ZINC000329880855 159125895 /nfs/dbraw/zinc/12/58/95/159125895.db2.gz NXFNZNZRQLHLKA-WMLDXEAASA-N 0 0 320.389 0.545 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000330018615 159136005 /nfs/dbraw/zinc/13/60/05/159136005.db2.gz TUUGBLCDVMWQFR-VXGBXAGGSA-N 0 0 303.366 0.256 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C[C@H]21 ZINC000330067083 159139244 /nfs/dbraw/zinc/13/92/44/159139244.db2.gz UDGDQZRBVWQDOK-XUWVNRHRSA-N 0 0 317.389 0.701 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H](C3CC3)C2)C1=O ZINC000330121938 159143412 /nfs/dbraw/zinc/14/34/12/159143412.db2.gz HDTXFFLOFSAGLX-LRDDRELGSA-N 0 0 321.377 0.549 10 0 DCAERN Cn1nncc1S(=O)(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000330166782 159147419 /nfs/dbraw/zinc/14/74/19/159147419.db2.gz VKUNRDOINNGGFB-LBPRGKRZSA-N 0 0 314.411 0.927 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[C@H](O)C1 ZINC000330199299 159149557 /nfs/dbraw/zinc/14/95/57/159149557.db2.gz VFTYIRQLFSOVJS-OLZOCXBDSA-N 0 0 304.412 0.174 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCS[C@H](C(C)C)C1 ZINC000330255957 159154457 /nfs/dbraw/zinc/15/44/57/159154457.db2.gz BMUNEUDRFDNMMR-XQQFMLRXSA-N 0 0 300.424 0.568 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(C)ccc2F)C1 ZINC000330519584 159185570 /nfs/dbraw/zinc/18/55/70/159185570.db2.gz PTEFFDFNPDFIDI-QWRGUYRKSA-N 0 0 303.355 0.904 10 0 DCAERN C[S@@](=O)C1(CNC(=O)C[C@H]2CCCCC(=O)N2)CCC1 ZINC000332708432 159210809 /nfs/dbraw/zinc/21/08/09/159210809.db2.gz XUNNBHSKULQEKB-BIBXISHDSA-N 0 0 300.424 0.853 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)CCO1 ZINC000332762976 159213286 /nfs/dbraw/zinc/21/32/86/159213286.db2.gz XJQXITRPGQWQLM-OBJOEFQTSA-N 0 0 311.382 0.100 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@]12CCCO2 ZINC000332908211 159216643 /nfs/dbraw/zinc/21/66/43/159216643.db2.gz UOGLACBUBFXIAZ-NHIYQJMISA-N 0 0 310.394 0.840 10 0 DCAERN CN1CC[C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1=O ZINC000332890028 159216678 /nfs/dbraw/zinc/21/66/78/159216678.db2.gz DNXAMUVMSPXATM-PWSUYJOCSA-N 0 0 319.386 0.836 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H]2CCO[C@H]2C2CC2)n1 ZINC000332933787 159217420 /nfs/dbraw/zinc/21/74/20/159217420.db2.gz JWRXTDUZJIVXSC-XQHKEYJVSA-N 0 0 322.365 0.763 10 0 DCAERN CCOCC[C@@H](O)CN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000366773759 159285428 /nfs/dbraw/zinc/28/54/28/159285428.db2.gz IHSMZFPZEUORKI-CYBMUJFWSA-N 0 0 320.455 0.320 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCOc2cccc(F)c2C1 ZINC000367313196 159330734 /nfs/dbraw/zinc/33/07/34/159330734.db2.gz UWWXRYZZCSTEAI-UHFFFAOYSA-N 0 0 308.309 0.406 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000367329329 159331730 /nfs/dbraw/zinc/33/17/30/159331730.db2.gz FNLQUSISHUZOQE-CSJGVYOVSA-N 0 0 323.393 0.971 10 0 DCAERN C[C@H]1CCOCCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000367616253 159347324 /nfs/dbraw/zinc/34/73/24/159347324.db2.gz FWIZBEZBLWCEPI-UWVGGRQHSA-N 0 0 323.315 0.970 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCO1 ZINC000368151888 159379026 /nfs/dbraw/zinc/37/90/26/159379026.db2.gz ODXSJYNUPIUMMZ-UPJWGTAASA-N 0 0 312.366 0.527 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCN3CCOC[C@H]3C2)cc1 ZINC000368815881 159419356 /nfs/dbraw/zinc/41/93/56/159419356.db2.gz IAFCPPUPTPDWOG-MRXNPFEDSA-N 0 0 317.389 0.844 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1=O ZINC000370506880 159523629 /nfs/dbraw/zinc/52/36/29/159523629.db2.gz FDTLTUJPQUWJHA-GFCCVEGCSA-N 0 0 316.361 0.078 10 0 DCAERN CSc1nsc(NC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000371870925 159591436 /nfs/dbraw/zinc/59/14/36/159591436.db2.gz VNKHPGJIGNHUSV-QMMMGPOBSA-N 0 0 315.424 0.808 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@]2(C)CCC(=O)NC2)CC1)C(F)(F)F ZINC000375640945 159806485 /nfs/dbraw/zinc/80/64/85/159806485.db2.gz CPNCYXFSOOMWHA-GXFFZTMASA-N 0 0 321.343 0.998 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC)CC2 ZINC000375767570 159816606 /nfs/dbraw/zinc/81/66/06/159816606.db2.gz GGKAIXIGLTXVMX-GMTAPVOTSA-N 0 0 306.366 0.471 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)C[C@@H]1N1CCOCC1 ZINC000375862569 159823537 /nfs/dbraw/zinc/82/35/37/159823537.db2.gz SKEVQPZBLSQQFD-TUVASFSCSA-N 0 0 324.421 0.755 10 0 DCAERN CC(=O)CCN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000376370697 159853022 /nfs/dbraw/zinc/85/30/22/159853022.db2.gz RMWDGAHWGCWPGH-UHFFFAOYSA-N 0 0 309.366 0.679 10 0 DCAERN O=C(NCCCOCCO)C(=O)Nc1cccc2c1OCCC2 ZINC000378593599 159991490 /nfs/dbraw/zinc/99/14/90/159991490.db2.gz WDOPJLPLNDKFJD-UHFFFAOYSA-N 0 0 322.361 0.465 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407955324 159996386 /nfs/dbraw/zinc/99/63/86/159996386.db2.gz HSDVXABUGDOLJZ-NSHDSACASA-N 0 0 301.412 0.270 10 0 DCAERN Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2C(F)F)c1=O ZINC000407962478 159997852 /nfs/dbraw/zinc/99/78/52/159997852.db2.gz MVVLCMOZXJVAKF-VIFPVBQESA-N 0 0 301.293 0.193 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC(=O)N1C ZINC000407973607 160000015 /nfs/dbraw/zinc/00/00/15/160000015.db2.gz YRRPRRPBYIUSPZ-STQMWFEESA-N 0 0 323.437 0.960 10 0 DCAERN C[C@H]1CN(C(=O)Cn2c3ccccc3[nH]c2=O)CC(=O)N1C ZINC000407973008 160000145 /nfs/dbraw/zinc/00/01/45/160000145.db2.gz WSWMKFAXMQCTIJ-JTQLQIEISA-N 0 0 302.334 0.431 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2nnc3ccccn32)CC(=O)N1C ZINC000407970738 160000189 /nfs/dbraw/zinc/00/01/89/160000189.db2.gz MEAJJHMZWYSHBV-SNVBAGLBSA-N 0 0 302.338 0.101 10 0 DCAERN C[C@H](CC(=O)N1CC(=O)N(C)[C@H](C)C1)NC(=O)C1CCCC1 ZINC000407971925 160000221 /nfs/dbraw/zinc/00/02/21/160000221.db2.gz RJGZBUJBSKKNDA-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN CCS(=O)(=O)N1CCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000407977876 160000452 /nfs/dbraw/zinc/00/04/52/160000452.db2.gz VHDFLDYLJYPENP-SECBINFHSA-N 0 0 320.440 0.717 10 0 DCAERN CO[C@@H](C)c1nsc(N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000407976857 160000661 /nfs/dbraw/zinc/00/06/61/160000661.db2.gz POXUOCAYOGZHEC-JGVFFNPUSA-N 0 0 306.413 0.373 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC(C)(C)C1 ZINC000407981524 160001659 /nfs/dbraw/zinc/00/16/59/160001659.db2.gz UGHNOFLWLILFRC-UHFFFAOYSA-N 0 0 318.420 0.955 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000407987357 160003254 /nfs/dbraw/zinc/00/32/54/160003254.db2.gz CLUAXRJVGVPLTR-OLZOCXBDSA-N 0 0 310.394 0.903 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000407989171 160004161 /nfs/dbraw/zinc/00/41/61/160004161.db2.gz IHCPYIKBFBNSHS-WDEREUQCSA-N 0 0 320.397 0.595 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCc1nnc2n1CCCCC2 ZINC000407989116 160004329 /nfs/dbraw/zinc/00/43/29/160004329.db2.gz IBMHNZSOCBSKPK-LLVKDONJSA-N 0 0 320.397 0.425 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)s1 ZINC000407990671 160004651 /nfs/dbraw/zinc/00/46/51/160004651.db2.gz PTFKJPRXPCFOES-NSHDSACASA-N 0 0 322.434 0.880 10 0 DCAERN CCN(CC)C(=O)N1CCC(C(=O)N[C@@H]2CCC(=O)NC2)CC1 ZINC000407991521 160005220 /nfs/dbraw/zinc/00/52/20/160005220.db2.gz VUIGPVVQESYEOG-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1 ZINC000407991000 160005556 /nfs/dbraw/zinc/00/55/56/160005556.db2.gz RZXHNRZAYKEWBN-RYUDHWBXSA-N 0 0 309.410 0.808 10 0 DCAERN COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000407996471 160006573 /nfs/dbraw/zinc/00/65/73/160006573.db2.gz MLLOXHPZTCQSAY-MCIONIFRSA-N 0 0 310.394 0.651 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)C(=O)c3cnn(C)c3)[C@H]2C1 ZINC000408000234 160006830 /nfs/dbraw/zinc/00/68/30/160006830.db2.gz YRLUGTGZQODIIM-AGIUHOORSA-N 0 0 307.350 0.398 10 0 DCAERN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)N1CCOCC1 ZINC000408000996 160008116 /nfs/dbraw/zinc/00/81/16/160008116.db2.gz LNKYPYBWLZTVBG-VXGBXAGGSA-N 0 0 315.439 0.087 10 0 DCAERN CN(C(=O)N1CCSC[C@H]1CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000408018600 160012692 /nfs/dbraw/zinc/01/26/92/160012692.db2.gz UEMINYABIVYRRC-GHMZBOCLSA-N 0 0 322.452 0.025 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000408021925 160013524 /nfs/dbraw/zinc/01/35/24/160013524.db2.gz KJNWRMXOWWHODT-VXGBXAGGSA-N 0 0 313.423 0.425 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408022117 160013999 /nfs/dbraw/zinc/01/39/99/160013999.db2.gz RCXOBYGHMGUEHZ-LDYMZIIASA-N 0 0 306.366 0.332 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1 ZINC000408023549 160014451 /nfs/dbraw/zinc/01/44/51/160014451.db2.gz SAJXDZMGOIQGMN-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408029277 160015493 /nfs/dbraw/zinc/01/54/93/160015493.db2.gz HLLNXGNREQPXIR-NEPJUHHUSA-N 0 0 309.366 0.488 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000408031357 160016440 /nfs/dbraw/zinc/01/64/40/160016440.db2.gz MKSFZKDIGUYUCK-MBNYWOFBSA-N 0 0 313.423 0.617 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)CO1 ZINC000408033750 160017425 /nfs/dbraw/zinc/01/74/25/160017425.db2.gz BMLYXAHHKRODTE-FRRDWIJNSA-N 0 0 320.393 0.290 10 0 DCAERN Cc1noc([C@H]2CN([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033958 160017444 /nfs/dbraw/zinc/01/74/44/160017444.db2.gz BYMNMOJGBMJKMA-WCQYABFASA-N 0 0 309.414 0.922 10 0 DCAERN C[C@H](C(=O)N1CCC[C@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000408036942 160018943 /nfs/dbraw/zinc/01/89/43/160018943.db2.gz XGYWZUXDMXWUQY-XJKSGUPXSA-N 0 0 322.409 0.694 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1COCCN1C)CC2 ZINC000408038319 160019415 /nfs/dbraw/zinc/01/94/15/160019415.db2.gz KAQWDFUUDJVCAR-BFHYXJOUSA-N 0 0 312.410 0.096 10 0 DCAERN Cc1cn2cc(C(=O)N3CCN(C(=O)[C@H](C)O)CC3)sc2n1 ZINC000408043931 160021774 /nfs/dbraw/zinc/02/17/74/160021774.db2.gz LOKKOFZKVQQRFG-JTQLQIEISA-N 0 0 322.390 0.369 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408052305 160023308 /nfs/dbraw/zinc/02/33/08/160023308.db2.gz LCHMZSQAIRREDK-MJBXVCDLSA-N 0 0 313.442 0.898 10 0 DCAERN Cc1nc(C)c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)nc1C ZINC000408050993 160023325 /nfs/dbraw/zinc/02/33/25/160023325.db2.gz MKOJPJKACOUEEM-NEPJUHHUSA-N 0 0 303.366 0.640 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@H](OCC(C)C)C2)C1 ZINC000408051919 160023475 /nfs/dbraw/zinc/02/34/75/160023475.db2.gz MFJBQAGETOQRJM-GDBMZVCRSA-N 0 0 312.410 0.633 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408051081 160023580 /nfs/dbraw/zinc/02/35/80/160023580.db2.gz HZPORJVXLNHPNK-NEPJUHHUSA-N 0 0 305.334 0.639 10 0 DCAERN COc1cc(C)cnc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408051551 160023629 /nfs/dbraw/zinc/02/36/29/160023629.db2.gz PQLVINVLCMPENJ-MNOVXSKESA-N 0 0 304.350 0.637 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n(C)n1 ZINC000408052008 160023843 /nfs/dbraw/zinc/02/38/43/160023843.db2.gz MSBXJNUSJCMABN-NEPJUHHUSA-N 0 0 305.382 0.782 10 0 DCAERN COc1nc(C)ccc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408052409 160024613 /nfs/dbraw/zinc/02/46/13/160024613.db2.gz OQGBKIFEUZFYEI-NEPJUHHUSA-N 0 0 304.350 0.637 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408062076 160026383 /nfs/dbraw/zinc/02/63/83/160026383.db2.gz MVKRDNIRWBTZSI-QJPTWQEYSA-N 0 0 302.396 0.170 10 0 DCAERN Cc1ccc(N2CCCN(C(=O)C3(NC(N)=O)CC3)CC2)nn1 ZINC000408064382 160026469 /nfs/dbraw/zinc/02/64/69/160026469.db2.gz UNCYQOUCGNHKEV-UHFFFAOYSA-N 0 0 318.381 0.025 10 0 DCAERN O=C([C@@H](O)C1CCCCC1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000408062314 160026736 /nfs/dbraw/zinc/02/67/36/160026736.db2.gz NPQRCOAYBPNYGO-GOEBONIOSA-N 0 0 322.409 0.573 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408068849 160028503 /nfs/dbraw/zinc/02/85/03/160028503.db2.gz YDSKAPKFFQFLQS-VHSXEESVSA-N 0 0 300.384 0.003 10 0 DCAERN CCN(C[C@@H]1CCCO1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408073253 160029324 /nfs/dbraw/zinc/02/93/24/160029324.db2.gz KECVILDOBXMASO-AVGNSLFASA-N 0 0 306.428 0.841 10 0 DCAERN Cn1nnc2cc(CN3CCS(=O)(=O)C(C)(C)C3)ccc21 ZINC000408075824 160030351 /nfs/dbraw/zinc/03/03/51/160030351.db2.gz YASMJTOMYAGLIR-UHFFFAOYSA-N 0 0 308.407 0.977 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000408080391 160031627 /nfs/dbraw/zinc/03/16/27/160031627.db2.gz KKWOOLGKQZPXIY-HBNTYKKESA-N 0 0 303.380 0.221 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](C)[C@H](O)C2)C1=O ZINC000408094675 160034006 /nfs/dbraw/zinc/03/40/06/160034006.db2.gz TXAHJYUUHMCGDI-GHMZBOCLSA-N 0 0 311.382 0.326 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408104856 160036440 /nfs/dbraw/zinc/03/64/40/160036440.db2.gz RHDYHKOZJZWILC-ZYHUDNBSSA-N 0 0 310.316 0.623 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2nc(C(F)(F)F)ns2)C1 ZINC000408103501 160036457 /nfs/dbraw/zinc/03/64/57/160036457.db2.gz MTLRUJFJVRLJGP-RXMQYKEDSA-N 0 0 316.330 0.685 10 0 DCAERN CCn1nccc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408112843 160038630 /nfs/dbraw/zinc/03/86/30/160038630.db2.gz QBOPXORQDMWJRN-UHFFFAOYSA-N 0 0 300.384 0.944 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](C)C1 ZINC000408118717 160040233 /nfs/dbraw/zinc/04/02/33/160040233.db2.gz WDQHVCKJMDPDDB-MNOVXSKESA-N 0 0 309.370 0.690 10 0 DCAERN Cc1nccn1CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408122444 160041802 /nfs/dbraw/zinc/04/18/02/160041802.db2.gz KDYMNZWEGQVREB-CQSZACIVSA-N 0 0 320.393 0.289 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CCN1CCOC ZINC000408132784 160044180 /nfs/dbraw/zinc/04/41/80/160044180.db2.gz LNFLFGNGBBUSNX-KBPBESRZSA-N 0 0 319.471 0.616 10 0 DCAERN CC(C)(C)[C@H]1CCN(S(=O)(=O)N2CCOCC2)C[C@H]1O ZINC000408134888 160044798 /nfs/dbraw/zinc/04/47/98/160044798.db2.gz VHHKGOIRXMBZAJ-NWDGAFQWSA-N 0 0 306.428 0.292 10 0 DCAERN CN(C)c1ncc(CN(C)S(=O)(=O)N2CCCCC2)cn1 ZINC000408155403 160049019 /nfs/dbraw/zinc/04/90/19/160049019.db2.gz QZBDVEGOOUJRBC-UHFFFAOYSA-N 0 0 313.427 0.705 10 0 DCAERN C[C@H]1C[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC(=O)N1 ZINC000408161674 160050092 /nfs/dbraw/zinc/05/00/92/160050092.db2.gz OUUOBFZNCFDIKN-UWVGGRQHSA-N 0 0 316.361 0.730 10 0 DCAERN CC[C@@H]1C[C@@H](CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000408170647 160051810 /nfs/dbraw/zinc/05/18/10/160051810.db2.gz VOOIXKHVYSQFPN-YNEHKIRRSA-N 0 0 318.439 0.732 10 0 DCAERN CCc1noc(C)c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408180256 160054220 /nfs/dbraw/zinc/05/42/20/160054220.db2.gz OOUVDPARVWEQJR-SECBINFHSA-N 0 0 301.368 0.309 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000408185237 160055397 /nfs/dbraw/zinc/05/53/97/160055397.db2.gz IMWCIXRJKPLUBO-UHFFFAOYSA-N 0 0 300.384 0.007 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1ncon1 ZINC000408184854 160055407 /nfs/dbraw/zinc/05/54/07/160055407.db2.gz FFGGESWYPTUIIB-SECBINFHSA-N 0 0 302.356 0.015 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408189274 160056225 /nfs/dbraw/zinc/05/62/25/160056225.db2.gz WFNYCDROWIXVMD-VIRABCJISA-N 0 0 318.373 0.857 10 0 DCAERN C[C@H](C(=O)N1CCC(c2ccnn2C)CC1)N1CCOCC1 ZINC000408200824 160058413 /nfs/dbraw/zinc/05/84/13/160058413.db2.gz CBLLECBRQNDAKA-CYBMUJFWSA-N 0 0 306.410 0.847 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)CCS1(=O)=O ZINC000408198654 160058484 /nfs/dbraw/zinc/05/84/84/160058484.db2.gz UMGROAGLEVIMNQ-LLVKDONJSA-N 0 0 316.423 0.328 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)CC2 ZINC000408203322 160059256 /nfs/dbraw/zinc/05/92/56/160059256.db2.gz CTCKJJXGJBAHMS-NEPJUHHUSA-N 0 0 323.393 0.592 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000408205874 160060020 /nfs/dbraw/zinc/06/00/20/160060020.db2.gz LUDHQWLXCSJYLA-STQMWFEESA-N 0 0 310.398 0.165 10 0 DCAERN CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2nnnn2C)C1 ZINC000408209006 160060748 /nfs/dbraw/zinc/06/07/48/160060748.db2.gz AXAMMCIABMYPDC-IUCAKERBSA-N 0 0 306.292 0.242 10 0 DCAERN C[C@H]1CN(CCCNS(=O)(=O)NC2CCCC2)C[C@H](C)O1 ZINC000408209180 160060944 /nfs/dbraw/zinc/06/09/44/160060944.db2.gz YZNDETKDGVMZGP-STQMWFEESA-N 0 0 319.471 0.852 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408217179 160062160 /nfs/dbraw/zinc/06/21/60/160062160.db2.gz DWPXDNKGRUFMBI-ZJUUUORDSA-N 0 0 315.482 0.577 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000408232856 160065113 /nfs/dbraw/zinc/06/51/13/160065113.db2.gz WPZGZUVTHMICNM-GJZGRUSLSA-N 0 0 306.410 0.994 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408233588 160065298 /nfs/dbraw/zinc/06/52/98/160065298.db2.gz AEPBVCKFMYIRAB-SNVBAGLBSA-N 0 0 319.365 0.244 10 0 DCAERN COc1cc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000408236043 160066032 /nfs/dbraw/zinc/06/60/32/160066032.db2.gz LNONZSZSZGBAHS-WDEREUQCSA-N 0 0 315.395 0.534 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)N1C[C@H](C)OC[C@H]1C)C(C)C ZINC000408237976 160066946 /nfs/dbraw/zinc/06/69/46/160066946.db2.gz SGMMDRKZORBJPJ-VWYCJHECSA-N 0 0 308.400 0.128 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000408240138 160067066 /nfs/dbraw/zinc/06/70/66/160067066.db2.gz JJOOUWSVQOAEAW-LLVKDONJSA-N 0 0 314.411 0.345 10 0 DCAERN COc1ncccc1CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408239368 160067214 /nfs/dbraw/zinc/06/72/14/160067214.db2.gz YHJVRSYVQOABPA-WDEREUQCSA-N 0 0 315.395 0.534 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)c3cnn(C)c3C)CCO2)n1 ZINC000408244758 160068643 /nfs/dbraw/zinc/06/86/43/160068643.db2.gz DLXDGMLNTKXZLP-CYBMUJFWSA-N 0 0 318.381 0.478 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408244314 160068691 /nfs/dbraw/zinc/06/86/91/160068691.db2.gz ORIRMROLFDUJOM-UHFFFAOYSA-N 0 0 319.427 0.073 10 0 DCAERN CN(C)c1ncccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249392 160069005 /nfs/dbraw/zinc/06/90/05/160069005.db2.gz UCXNRHYQOHCHEP-UHFFFAOYSA-N 0 0 311.407 0.797 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000408247965 160069286 /nfs/dbraw/zinc/06/92/86/160069286.db2.gz QVXFDFJRUZWSFB-XJFOESAGSA-N 0 0 321.421 0.761 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408251029 160069814 /nfs/dbraw/zinc/06/98/14/160069814.db2.gz VDMXCTXUTOLJJE-MRXNPFEDSA-N 0 0 316.361 0.920 10 0 DCAERN CO[C@@H]1CN(C(=O)NCCC(=O)N2CCOCC2)CC[C@H]1C ZINC000408256764 160070557 /nfs/dbraw/zinc/07/05/57/160070557.db2.gz MWRQZMYAJCVTOP-CHWSQXEVSA-N 0 0 313.398 0.302 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408259944 160071325 /nfs/dbraw/zinc/07/13/25/160071325.db2.gz QXVBRCDHAOIWIO-LLVKDONJSA-N 0 0 313.423 0.031 10 0 DCAERN CC(C)N(C[C@H](C)O)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000408263872 160072318 /nfs/dbraw/zinc/07/23/18/160072318.db2.gz ZLCOUBYSKUXDCP-NSHDSACASA-N 0 0 321.443 0.211 10 0 DCAERN CC[C@@H](C(=O)N1CC[C@@](O)(C(F)(F)F)C1)N1CCCC1=O ZINC000408272931 160073246 /nfs/dbraw/zinc/07/32/46/160073246.db2.gz LBDXNPQLKNFFDN-CABZTGNLSA-N 0 0 308.300 0.913 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCO[C@@]2(CCOC2)C1 ZINC000408273735 160073312 /nfs/dbraw/zinc/07/33/12/160073312.db2.gz FUDIWEKEPDOESK-WFASDCNBSA-N 0 0 306.366 0.468 10 0 DCAERN C[C@@H]1CN(C(=O)C2(C(=O)N(C)C)CC2)C[C@@H]1N1CCOCC1 ZINC000408274110 160073728 /nfs/dbraw/zinc/07/37/28/160073728.db2.gz WANHTQLXRYSMMM-OLZOCXBDSA-N 0 0 309.410 0.034 10 0 DCAERN CC(C)(CNC(=O)C1CCC(O)CC1)N1CCS(=O)CC1 ZINC000408286475 160077030 /nfs/dbraw/zinc/07/70/30/160077030.db2.gz LTUNHNIVJNJNOO-UHFFFAOYSA-N 0 0 316.467 0.497 10 0 DCAERN Cc1ccnc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)n1 ZINC000408290780 160077664 /nfs/dbraw/zinc/07/76/64/160077664.db2.gz LEBWGSZXECNLQZ-NSHDSACASA-N 0 0 312.395 0.327 10 0 DCAERN CC(C)[C@@](C)(O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408296928 160079258 /nfs/dbraw/zinc/07/92/58/160079258.db2.gz GVGYTMSEZOHJJS-CZUORRHYSA-N 0 0 312.410 0.491 10 0 DCAERN C[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408303496 160080460 /nfs/dbraw/zinc/08/04/60/160080460.db2.gz QEYWFSFVEGBISB-MRVPVSSYSA-N 0 0 302.327 0.334 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)ccc1=O ZINC000408306738 160081369 /nfs/dbraw/zinc/08/13/69/160081369.db2.gz QXMDERJKFBHHDB-GFCCVEGCSA-N 0 0 304.268 0.915 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CCSC3)CCO2)n1 ZINC000408307830 160081377 /nfs/dbraw/zinc/08/13/77/160081377.db2.gz UBULMZMLOSDXQC-QWHCGFSZSA-N 0 0 310.423 0.875 10 0 DCAERN C[C@H](O)C1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000408305909 160081818 /nfs/dbraw/zinc/08/18/18/160081818.db2.gz NZLDCJRBLKVNCM-NSHDSACASA-N 0 0 318.439 0.756 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408316660 160083386 /nfs/dbraw/zinc/08/33/86/160083386.db2.gz CUEMUWAKCYSSEV-SECBINFHSA-N 0 0 304.334 0.267 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)CC(=O)N1 ZINC000408318224 160083874 /nfs/dbraw/zinc/08/38/74/160083874.db2.gz INFCRXWVWNVSSJ-RFQIPJPRSA-N 0 0 311.426 0.205 10 0 DCAERN CC[C@@H](C)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408322649 160084966 /nfs/dbraw/zinc/08/49/66/160084966.db2.gz UMDPPLKCSHDHAB-SNVBAGLBSA-N 0 0 312.457 0.376 10 0 DCAERN CSc1c(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cnn1C ZINC000408328319 160086093 /nfs/dbraw/zinc/08/60/93/160086093.db2.gz JGDVAMUFQFHFQH-AWEZNQCLSA-N 0 0 308.407 0.884 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408340122 160088198 /nfs/dbraw/zinc/08/81/98/160088198.db2.gz NBTGALNLCOELEO-ACQUPKDNSA-N 0 0 304.437 0.276 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCSC2)C1=O ZINC000408342746 160088325 /nfs/dbraw/zinc/08/83/25/160088325.db2.gz ZMFCPSUCONAJBD-MNOVXSKESA-N 0 0 308.407 0.785 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408353878 160090642 /nfs/dbraw/zinc/09/06/42/160090642.db2.gz DZEUDHMIZMQPPG-JQWIXIFHSA-N 0 0 315.381 0.974 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408359167 160091357 /nfs/dbraw/zinc/09/13/57/160091357.db2.gz SMAAMWQPFCJLMU-QWRGUYRKSA-N 0 0 311.382 0.720 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000408357373 160091692 /nfs/dbraw/zinc/09/16/92/160091692.db2.gz APUWLPYNZKECOF-GJZGRUSLSA-N 0 0 321.421 0.716 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)O1 ZINC000408362460 160092450 /nfs/dbraw/zinc/09/24/50/160092450.db2.gz OQFFIMGGJXFGOA-MNOVXSKESA-N 0 0 319.427 0.277 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(CC(C)C)C(=O)C2)CC(=O)N1 ZINC000408367126 160093011 /nfs/dbraw/zinc/09/30/11/160093011.db2.gz RLBRZOCXTSRLCM-QWHCGFSZSA-N 0 0 309.410 0.618 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000408370333 160093857 /nfs/dbraw/zinc/09/38/57/160093857.db2.gz JLAXGCSEGXGSJZ-NHYWBVRUSA-N 0 0 323.418 0.909 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCO[C@@H](CO)C1 ZINC000408368698 160094052 /nfs/dbraw/zinc/09/40/52/160094052.db2.gz MDRHZZGPRSRHLK-DGCLKSJQSA-N 0 0 313.398 0.227 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@@H](O)C3(C)C)nc2n1 ZINC000408374499 160094365 /nfs/dbraw/zinc/09/43/65/160094365.db2.gz LJRYSZZHLDUXOR-GHMZBOCLSA-N 0 0 303.366 0.559 10 0 DCAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCO[C@@H](CO)C1 ZINC000408378425 160095210 /nfs/dbraw/zinc/09/52/10/160095210.db2.gz DXCFEIKZDIWRTG-GFCCVEGCSA-N 0 0 305.334 0.796 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000408378044 160095324 /nfs/dbraw/zinc/09/53/24/160095324.db2.gz BHWBODJRNZDWIC-XSPWKBLVSA-N 0 0 315.439 0.644 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@@H](O)C3(C)C)cnc21 ZINC000408376072 160095362 /nfs/dbraw/zinc/09/53/62/160095362.db2.gz MHTWKQFXNRLIMU-SNVBAGLBSA-N 0 0 318.333 0.020 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCS1(=O)=O ZINC000408380181 160095799 /nfs/dbraw/zinc/09/57/99/160095799.db2.gz VBAKEPVUEXRKJZ-LLVKDONJSA-N 0 0 316.423 0.281 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)CC1=O ZINC000408380890 160095930 /nfs/dbraw/zinc/09/59/30/160095930.db2.gz DQQGAJFIYQPGTN-NWDGAFQWSA-N 0 0 320.397 0.703 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCN(CC(F)F)CC2)CC1=O ZINC000408382504 160096815 /nfs/dbraw/zinc/09/68/15/160096815.db2.gz RQYSALVDUASNQO-LLVKDONJSA-N 0 0 318.368 0.588 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2ncc(C)cc2O)n1 ZINC000408386526 160097696 /nfs/dbraw/zinc/09/76/96/160097696.db2.gz QCULJBUKADZUCT-NXEZZACHSA-N 0 0 304.306 0.735 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000408393589 160099254 /nfs/dbraw/zinc/09/92/54/160099254.db2.gz KGFXPIVKGHZQJB-CMPLNLGQSA-N 0 0 314.411 0.411 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000408394948 160099577 /nfs/dbraw/zinc/09/95/77/160099577.db2.gz LDHWLKDOTZDRHT-NSHDSACASA-N 0 0 300.384 0.048 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000408406292 160101802 /nfs/dbraw/zinc/10/18/02/160101802.db2.gz MMGMXRYTPQSINN-RYUDHWBXSA-N 0 0 320.397 0.718 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(C(C)(C)O)C1 ZINC000408407359 160101915 /nfs/dbraw/zinc/10/19/15/160101915.db2.gz USWFJWFITZTZDN-LLVKDONJSA-N 0 0 323.397 0.672 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCn3nc(C)nc32)C1 ZINC000408408474 160102524 /nfs/dbraw/zinc/10/25/24/160102524.db2.gz VXEMRUNHFDPQAM-VXGBXAGGSA-N 0 0 320.397 0.589 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCCN2CCCC2=O)CC[S@@]1=O ZINC000408409087 160102776 /nfs/dbraw/zinc/10/27/76/160102776.db2.gz SWXZMZWHXNGXQJ-GTJPDFRWSA-N 0 0 315.439 0.551 10 0 DCAERN Cc1nc([C@H](C)NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cs1 ZINC000408434133 160107767 /nfs/dbraw/zinc/10/77/67/160107767.db2.gz PAXNYENLSUGTMB-IONNQARKSA-N 0 0 318.424 0.585 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C)CC2)cn1 ZINC000408453347 160111526 /nfs/dbraw/zinc/11/15/26/160111526.db2.gz TYKALILTERHYCB-UHFFFAOYSA-N 0 0 311.407 0.879 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000408458337 160112545 /nfs/dbraw/zinc/11/25/45/160112545.db2.gz FHDXKUOINCTIEX-LBPRGKRZSA-N 0 0 300.380 0.872 10 0 DCAERN CNS(=O)(=O)N1CCN(Cc2nc3ccccc3o2)CC1 ZINC000408457076 160112589 /nfs/dbraw/zinc/11/25/89/160112589.db2.gz NMEOXYBKQSMLSJ-UHFFFAOYSA-N 0 0 310.379 0.410 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@H]1OC ZINC000408461470 160113356 /nfs/dbraw/zinc/11/33/56/160113356.db2.gz VKGUWQUGETWYMY-OBPIAQAESA-N 0 0 307.412 0.666 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cnc3nc(C)ccc3c2O)C[C@H]1O ZINC000408467687 160114109 /nfs/dbraw/zinc/11/41/09/160114109.db2.gz OFISIUVXIVFPSR-VXGBXAGGSA-N 0 0 303.318 0.476 10 0 DCAERN CN(C)c1ncccc1CNC(=O)Cc1nc2ncccn2n1 ZINC000058146309 286900225 /nfs/dbraw/zinc/90/02/25/286900225.db2.gz MDRNLKGUOBAEDE-UHFFFAOYSA-N 0 0 311.349 0.444 10 0 DCAERN CSCCCCNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000074323019 286915787 /nfs/dbraw/zinc/91/57/87/286915787.db2.gz IWSVGGVMXNNNTF-UHFFFAOYSA-N 0 0 310.423 0.991 10 0 DCAERN CC(C)c1nnnn1CC(=O)N(C)c1cccnc1N(C)C ZINC000079725675 286925176 /nfs/dbraw/zinc/92/51/76/286925176.db2.gz IDEBFJMUQAYSBV-UHFFFAOYSA-N 0 0 303.370 0.921 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cn(-c3cccc(C)c3)nn2)C1 ZINC000121634490 286955819 /nfs/dbraw/zinc/95/58/19/286955819.db2.gz NAOHKYQZSOHQJM-UHFFFAOYSA-N 0 0 313.361 0.784 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(S(=O)(=O)CC)cc2)C1 ZINC000121571533 286955859 /nfs/dbraw/zinc/95/58/59/286955859.db2.gz MQKGPFWNRALEPL-UHFFFAOYSA-N 0 0 324.402 0.688 10 0 DCAERN COCCc1cc(NC(=O)C(=O)NC2CCCCC2)n(C)n1 ZINC000124957449 286964805 /nfs/dbraw/zinc/96/48/05/286964805.db2.gz BBSFOQLSMWNNKO-UHFFFAOYSA-N 0 0 308.382 0.996 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000126447018 286971535 /nfs/dbraw/zinc/97/15/35/286971535.db2.gz JLILCZMFQMLZCI-LLVKDONJSA-N 0 0 322.365 0.611 10 0 DCAERN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000129367667 286987634 /nfs/dbraw/zinc/98/76/34/286987634.db2.gz FIXZRPHEMDBUIS-KXUCPTDWSA-N 0 0 301.387 0.916 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132267288 287004536 /nfs/dbraw/zinc/00/45/36/287004536.db2.gz KIVSGKHGKIATCT-ZDUSSCGKSA-N 0 0 322.409 0.980 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCN1CCOCC1 ZINC000131687758 287001763 /nfs/dbraw/zinc/00/17/63/287001763.db2.gz JZFYRMQVMYTSLL-UHFFFAOYSA-N 0 0 318.377 0.168 10 0 DCAERN CCOC(=O)C(C)(C)NC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131761084 287002122 /nfs/dbraw/zinc/00/21/22/287002122.db2.gz VZZDROGLMYBEOH-LLVKDONJSA-N 0 0 306.428 0.589 10 0 DCAERN CN(CC(C)(C)CN1CCOCC1)c1cncc(OCCO)n1 ZINC000133615248 287012038 /nfs/dbraw/zinc/01/20/38/287012038.db2.gz OUTIJAHLWQKWNC-UHFFFAOYSA-N 0 0 324.425 0.642 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccs2)O1 ZINC000133211292 287009624 /nfs/dbraw/zinc/00/96/24/287009624.db2.gz VTNGOAMLRQWMRD-NXEZZACHSA-N 0 0 318.420 0.710 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)C1CCOCC1 ZINC000134178103 287015088 /nfs/dbraw/zinc/01/50/88/287015088.db2.gz NEYCXCSIDSWHJO-LBPRGKRZSA-N 0 0 300.399 0.612 10 0 DCAERN CCC[C@@](C)(CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000135457250 287022675 /nfs/dbraw/zinc/02/26/75/287022675.db2.gz HCKGUMLMCXOYDL-INIZCTEOSA-N 0 0 319.361 0.357 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCN(C)CC(F)(F)F ZINC000135519177 287022723 /nfs/dbraw/zinc/02/27/23/287022723.db2.gz NMQAENBMMIMVOQ-VHSXEESVSA-N 0 0 318.361 0.967 10 0 DCAERN COCCCCS(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000136107079 287025573 /nfs/dbraw/zinc/02/55/73/287025573.db2.gz DJPIJKXJNZDWTL-AWEZNQCLSA-N 0 0 322.471 0.689 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN(C[C@H](O)CC)CC2)C1 ZINC000151115059 287032092 /nfs/dbraw/zinc/03/20/92/287032092.db2.gz GIKVYXKXSRTFGZ-ZIAGYGMSSA-N 0 0 311.426 0.160 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000151522866 287034383 /nfs/dbraw/zinc/03/43/83/287034383.db2.gz HQDMHOGKCSDBOT-UHFFFAOYSA-N 0 0 315.329 0.825 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(-c2cccs2)n[nH]1 ZINC000152126336 287038996 /nfs/dbraw/zinc/03/89/96/287038996.db2.gz WTVSONNUDFNCBV-SSDOTTSWSA-N 0 0 304.331 0.673 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)CNC(N)=O)n(-c2ccccc2)n1 ZINC000153057233 287046543 /nfs/dbraw/zinc/04/65/43/287046543.db2.gz IHJUCBQMRADFBF-NSHDSACASA-N 0 0 315.377 0.896 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3c[nH]nc3C)C2=O)n(C)n1 ZINC000173067364 287052677 /nfs/dbraw/zinc/05/26/77/287052677.db2.gz NUDCDIYDMKNHTN-LBPRGKRZSA-N 0 0 316.365 0.685 10 0 DCAERN Cn1c2cccc(Cl)c2nc1NC(=O)CN1CC(=O)NC1=O ZINC000185838786 287057322 /nfs/dbraw/zinc/05/73/22/287057322.db2.gz NJZIQKMNCAAPNG-UHFFFAOYSA-N 0 0 321.724 0.717 10 0 DCAERN Cc1ccccc1-c1nnn(C[C@@H](O)CN2CCOCC2)n1 ZINC000193398561 287060788 /nfs/dbraw/zinc/06/07/88/287060788.db2.gz MVOLQPVYNBVSND-ZDUSSCGKSA-N 0 0 303.366 0.342 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C)C(C)(C)C ZINC000245484224 287069864 /nfs/dbraw/zinc/06/98/64/287069864.db2.gz GZSOQXVTYRNZRF-GRYCIOLGSA-N 0 0 308.444 0.991 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000245692480 287072263 /nfs/dbraw/zinc/07/22/63/287072263.db2.gz WIWPFYYDGLVFST-FVCCEPFGSA-N 0 0 306.428 0.576 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CCN1C[C@@H](C)O ZINC000246162924 287077928 /nfs/dbraw/zinc/07/79/28/287077928.db2.gz LZMATWSQUTXMFL-HZSPNIEDSA-N 0 0 320.455 0.130 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246189698 287078578 /nfs/dbraw/zinc/07/85/78/287078578.db2.gz MKJBMEPLPDVXAJ-AVGNSLFASA-N 0 0 319.471 0.934 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)C[C@@H](C)O1 ZINC000246476783 287084122 /nfs/dbraw/zinc/08/41/22/287084122.db2.gz QJZHLEOHBPHYKU-UTUOFQBUSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCC[C@H]2C(N)=O)C1 ZINC000246528463 287085046 /nfs/dbraw/zinc/08/50/46/287085046.db2.gz WJOLGWUZVOICGL-UTUOFQBUSA-N 0 0 303.428 0.597 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000246949687 287089324 /nfs/dbraw/zinc/08/93/24/287089324.db2.gz CTLRSBFMSKRCIF-FRRDWIJNSA-N 0 0 317.455 0.114 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000246677003 287086669 /nfs/dbraw/zinc/08/66/69/287086669.db2.gz VELICYUMLTXFTQ-GHMZBOCLSA-N 0 0 312.457 0.328 10 0 DCAERN CCOCCN1CCN(CC(=O)NCCCOC)C[C@H]1C ZINC000247383485 287093282 /nfs/dbraw/zinc/09/32/82/287093282.db2.gz WEDAJPMDGGTZIJ-CQSZACIVSA-N 0 0 301.431 0.182 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247160241 287091822 /nfs/dbraw/zinc/09/18/22/287091822.db2.gz SPYURWHFPUUJSO-FRRDWIJNSA-N 0 0 309.410 0.938 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C[S@@](C)=O)C1 ZINC000248497883 287098054 /nfs/dbraw/zinc/09/80/54/287098054.db2.gz RLTOYUGXAAMFST-JWCBKOKGSA-N 0 0 317.455 0.844 10 0 DCAERN CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000373829173 287099430 /nfs/dbraw/zinc/09/94/30/287099430.db2.gz QFDXKPARQDOVLE-FVCCEPFGSA-N 0 0 318.439 0.825 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000249002263 287104803 /nfs/dbraw/zinc/10/48/03/287104803.db2.gz YYBPNWFCIYKMDE-VHRBIJSZSA-N 0 0 312.391 0.484 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C)CCN1CCOC ZINC000248711304 287100170 /nfs/dbraw/zinc/10/01/70/287100170.db2.gz MVXHOXXBOABIOH-ZIAGYGMSSA-N 0 0 319.471 0.758 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249183142 287107390 /nfs/dbraw/zinc/10/73/90/287107390.db2.gz NNRCGDLTNYCNDW-IHRRRGAJSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249391643 287109827 /nfs/dbraw/zinc/10/98/27/287109827.db2.gz BSAZZROCLMMOAP-MJVIPROJSA-N 0 0 306.362 0.587 10 0 DCAERN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CCO)[C@@H](C)C1 ZINC000249576276 287114444 /nfs/dbraw/zinc/11/44/44/287114444.db2.gz PPWNRGPDKJCYRY-XUWVNRHRSA-N 0 0 311.470 0.878 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](CO)O1 ZINC000249439445 287110905 /nfs/dbraw/zinc/11/09/05/287110905.db2.gz SSLAUYGTPCSNPG-UTUOFQBUSA-N 0 0 324.343 0.869 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249958356 287118749 /nfs/dbraw/zinc/11/87/49/287118749.db2.gz JJTXGDPCLXHXEQ-WHEQGISXSA-N 0 0 324.446 0.953 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C[C@H](C)S1(=O)=O ZINC000329250763 287160638 /nfs/dbraw/zinc/16/06/38/287160638.db2.gz XUDZBZAMQQLHKE-OFTGVCEQSA-N 0 0 301.408 0.836 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1cn(Cc2ccccn2)nn1 ZINC000358307664 287206384 /nfs/dbraw/zinc/20/63/84/287206384.db2.gz NYYUEZNKSFMHJK-GFCCVEGCSA-N 0 0 301.350 0.470 10 0 DCAERN C[C@@H]1CCCCCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408164877 287248136 /nfs/dbraw/zinc/24/81/36/287248136.db2.gz ODTHECFSGZOLKX-LLVKDONJSA-N 0 0 303.428 0.693 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C)[nH]n1 ZINC000629950087 412289042 /nfs/dbraw/zinc/28/90/42/412289042.db2.gz TYEUYBGOKWSBDC-UHFFFAOYSA-N 0 0 309.370 0.466 10 0 DCAERN CN(C)c1nccc(N[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000607146455 412299152 /nfs/dbraw/zinc/29/91/52/412299152.db2.gz QSWDCGYIGSHGTL-NSHDSACASA-N 0 0 301.354 0.494 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NCC[C@@H]2CCCO2)CC1 ZINC000023189978 415156945 /nfs/dbraw/zinc/15/69/45/415156945.db2.gz MCKPZJIJOJQVGG-LBPRGKRZSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n2ncnc2n1 ZINC000267523272 415144355 /nfs/dbraw/zinc/14/43/55/415144355.db2.gz HCLNWXNEQXVLKR-AAEUAGOBSA-N 0 0 302.382 0.590 10 0 DCAERN NC(=O)C[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832845 415198905 /nfs/dbraw/zinc/19/89/05/415198905.db2.gz STVCGBTVCPOJEZ-JTQLQIEISA-N 0 0 301.293 0.149 10 0 DCAERN CC(C)NC(=O)CCNC(=O)NCc1cccnc1N(C)C ZINC000045575955 415248498 /nfs/dbraw/zinc/24/84/98/415248498.db2.gz PCHWFRZWSFILRP-UHFFFAOYSA-N 0 0 307.398 0.862 10 0 DCAERN C[C@H](CNC(=O)NCCCNc1ccccn1)N1CCOCC1 ZINC000046261523 415259726 /nfs/dbraw/zinc/25/97/26/415259726.db2.gz FJVAUXMUARKGQE-CQSZACIVSA-N 0 0 321.425 0.904 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NCCNC(=O)C1CC1)C(C)C ZINC000048168681 415288563 /nfs/dbraw/zinc/28/85/63/415288563.db2.gz NFDNHZYSVBGZJE-CQSZACIVSA-N 0 0 311.426 0.816 10 0 DCAERN CCCCN(CC(N)=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052704498 415317070 /nfs/dbraw/zinc/31/70/70/415317070.db2.gz NMIFUYBPFLFFEP-UONOGXRCSA-N 0 0 311.426 0.744 10 0 DCAERN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CNC(N)=O)c1 ZINC000058938622 415341399 /nfs/dbraw/zinc/34/13/99/415341399.db2.gz OYUKCHZEHDOXGL-SNVBAGLBSA-N 0 0 306.366 0.956 10 0 DCAERN CC(C)N(CC(=O)NC(N)=O)CC(=O)Nc1ccc(F)cc1 ZINC000071007307 415405922 /nfs/dbraw/zinc/40/59/22/415405922.db2.gz QXWFQXHMSWVDDI-UHFFFAOYSA-N 0 0 310.329 0.670 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000066918851 415372148 /nfs/dbraw/zinc/37/21/48/415372148.db2.gz HZQXITJSQPCDFD-MRVPVSSYSA-N 0 0 321.786 0.647 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000067622921 415380046 /nfs/dbraw/zinc/38/00/46/415380046.db2.gz UKYZDLJTRIFMDF-QWHCGFSZSA-N 0 0 324.425 0.637 10 0 DCAERN CCc1cnc(CCNC(=O)N[C@H](C)CS(C)(=O)=O)s1 ZINC000074216290 415429219 /nfs/dbraw/zinc/42/92/19/415429219.db2.gz SPUKRVHCEIGUBU-SECBINFHSA-N 0 0 319.452 0.980 10 0 DCAERN C[C@H](c1ccccn1)N(C)C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000067999497 415390956 /nfs/dbraw/zinc/39/09/56/415390956.db2.gz ZGFWBBXQODMLDI-SNVBAGLBSA-N 0 0 304.350 0.931 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CC(C)(C)O ZINC000080823449 415481581 /nfs/dbraw/zinc/48/15/81/415481581.db2.gz OOPQGDFGXQDGDM-NSHDSACASA-N 0 0 306.428 0.420 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277916685 415484380 /nfs/dbraw/zinc/48/43/80/415484380.db2.gz SHPHPWCNAMVDHS-GFCCVEGCSA-N 0 0 310.375 0.639 10 0 DCAERN COCCN(CC(F)F)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085793277 415503727 /nfs/dbraw/zinc/50/37/27/415503727.db2.gz NYQSGDSDDBLPAA-LLVKDONJSA-N 0 0 314.398 0.872 10 0 DCAERN C[C@H]1C[C@H]1Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC000276203171 415449513 /nfs/dbraw/zinc/44/95/13/415449513.db2.gz JAVJUFJNIANNGS-CMPLNLGQSA-N 0 0 309.391 0.773 10 0 DCAERN NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@@H]1[C@H]3CCCO[C@H]31)CC2 ZINC000332758601 415465790 /nfs/dbraw/zinc/46/57/90/415465790.db2.gz UUUDDMYKOWTYST-DMTCVQMQSA-N 0 0 318.377 0.870 10 0 DCAERN CCc1noc(CC)c1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000087433816 415513780 /nfs/dbraw/zinc/51/37/80/415513780.db2.gz JTPBEPBTMVFGGP-UHFFFAOYSA-N 0 0 322.365 0.746 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)Cn1nnnc1C(C)C ZINC000088254059 415514378 /nfs/dbraw/zinc/51/43/78/415514378.db2.gz BOVYIZVMKUZLCC-UHFFFAOYSA-N 0 0 300.326 0.786 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)[C@@H]1CCNC(=O)C1 ZINC000089991338 415524906 /nfs/dbraw/zinc/52/49/06/415524906.db2.gz FCOBAJJYDSQCHL-ZCFIWIBFSA-N 0 0 314.139 0.602 10 0 DCAERN Cc1cc(O)cc(=O)n1CCC(=O)N1CCO[C@H](C2CC2)C1 ZINC000333042063 415539117 /nfs/dbraw/zinc/53/91/17/415539117.db2.gz FJHUEJMMCMCHGQ-AWEZNQCLSA-N 0 0 306.362 0.890 10 0 DCAERN C[C@H](CN1CCOCC1)N(C)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000333060691 415544940 /nfs/dbraw/zinc/54/49/40/415544940.db2.gz SFWXRAVPXZBTLA-SNPRPXQTSA-N 0 0 311.426 0.916 10 0 DCAERN CN1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333117954 415560614 /nfs/dbraw/zinc/56/06/14/415560614.db2.gz ZFNGALPGINDXRN-RDBSUJKOSA-N 0 0 309.410 0.224 10 0 DCAERN CO[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC[C@@H]1C ZINC000281658501 415562438 /nfs/dbraw/zinc/56/24/38/415562438.db2.gz SHCSGNTXSWQCKO-KWQFWETISA-N 0 0 316.379 0.732 10 0 DCAERN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(C)=O ZINC000095921689 415564722 /nfs/dbraw/zinc/56/47/22/415564722.db2.gz ICAMXOWGAZACCP-GEONZQJFSA-N 0 0 324.329 0.765 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000106901599 415650842 /nfs/dbraw/zinc/65/08/42/415650842.db2.gz FRPNABMVOAPFTR-HUUCEWRRSA-N 0 0 324.446 0.805 10 0 DCAERN COCCCNC(=O)C1CCN(C(=O)[C@@H](C)COC)CC1 ZINC000103431590 415618409 /nfs/dbraw/zinc/61/84/09/415618409.db2.gz IFJRSQXHNRWRJP-LBPRGKRZSA-N 0 0 300.399 0.660 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000104361037 415623706 /nfs/dbraw/zinc/62/37/06/415623706.db2.gz NEMKXCYMINAEHZ-AAEUAGOBSA-N 0 0 309.410 0.808 10 0 DCAERN CN1C(=O)CC[C@H](Nc2ccc3nnc(C(C)(C)C)n3n2)C1=O ZINC000333379638 415628320 /nfs/dbraw/zinc/62/83/20/415628320.db2.gz BGLQQEZSLHYXNJ-VIFPVBQESA-N 0 0 316.365 0.981 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)N1CC(=O)N(C2CC2)C1 ZINC000333373996 415629696 /nfs/dbraw/zinc/62/96/96/415629696.db2.gz DODMIMFRJQGVCR-UHFFFAOYSA-N 0 0 313.321 0.458 10 0 DCAERN C[C@H]1CN(c2cc(C(F)(F)F)nc3ncnn32)CC(=O)N1C ZINC000283431500 415588473 /nfs/dbraw/zinc/58/84/73/415588473.db2.gz HISASKVUMOWCDF-ZETCQYMHSA-N 0 0 314.271 0.810 10 0 DCAERN CCOC(=O)C1(C(=O)OCC)OC(=O)c2ccccc2[C@H]1O ZINC000098210212 415590875 /nfs/dbraw/zinc/59/08/75/415590875.db2.gz HYXIBZHGLFRNIK-LLVKDONJSA-N 0 0 308.286 0.755 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](c2nnc[nH]2)C1 ZINC000333469392 415659207 /nfs/dbraw/zinc/65/92/07/415659207.db2.gz NISUTZDJSTVKCC-UWVGGRQHSA-N 0 0 309.395 0.432 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000107237213 415661585 /nfs/dbraw/zinc/66/15/85/415661585.db2.gz PYNDSZQUMKXRHZ-CYBMUJFWSA-N 0 0 302.334 0.797 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@@H](CC)O1 ZINC000333480518 415662808 /nfs/dbraw/zinc/66/28/08/415662808.db2.gz FNFXLMNFAYXTIV-YIYPIFLZSA-N 0 0 323.397 0.817 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000333539613 415677875 /nfs/dbraw/zinc/67/78/75/415677875.db2.gz JBXRTRXPSQPAJE-SMDDNHRTSA-N 0 0 315.393 0.133 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1c1ncc(S(N)(=O)=O)s1 ZINC000343700415 415687562 /nfs/dbraw/zinc/68/75/62/415687562.db2.gz CVIUXFKIYKDDFJ-YUMQZZPRSA-N 0 0 307.397 0.031 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NCC2(C)COC2)c1=O ZINC000112617202 415710971 /nfs/dbraw/zinc/71/09/71/415710971.db2.gz GVPQEVCJCABEHT-UHFFFAOYSA-N 0 0 303.362 0.976 10 0 DCAERN CC1(C)CN(C(=O)C[C@@H]2CCCC[C@@H]2O)CCS1(=O)=O ZINC000343759029 415713972 /nfs/dbraw/zinc/71/39/72/415713972.db2.gz GYTVPNAEFQTHPG-RYUDHWBXSA-N 0 0 303.424 0.963 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccsc1 ZINC000120384677 415765795 /nfs/dbraw/zinc/76/57/95/415765795.db2.gz BXRKXTAVBACXAZ-LBPRGKRZSA-N 0 0 323.418 0.995 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120506924 415771540 /nfs/dbraw/zinc/77/15/40/415771540.db2.gz ZIYGTCUMKPIRHW-ZDUSSCGKSA-N 0 0 303.362 0.925 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120536925 415776387 /nfs/dbraw/zinc/77/63/87/415776387.db2.gz BTGBIWINSOOXFR-KBPBESRZSA-N 0 0 305.378 0.948 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000122958938 415835111 /nfs/dbraw/zinc/83/51/11/415835111.db2.gz IUXKQOGAAZKHPU-RYUDHWBXSA-N 0 0 306.428 0.589 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000150964879 196609550 /nfs/dbraw/zinc/60/95/50/196609550.db2.gz OJEXNCOPRYHTFK-UHFFFAOYSA-N 0 0 313.292 0.715 10 0 DCAERN Cn1cc(Br)c(C(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000292608450 415848978 /nfs/dbraw/zinc/84/89/78/415848978.db2.gz GQBKIYFZCJPDON-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000120766552 415781977 /nfs/dbraw/zinc/78/19/77/415781977.db2.gz BBWBPPCAIPJPKX-AWEZNQCLSA-N 0 0 319.405 0.564 10 0 DCAERN Cc1nc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)no1 ZINC000121503510 415806564 /nfs/dbraw/zinc/80/65/64/415806564.db2.gz OIAUSQBBVOBIGW-NSHDSACASA-N 0 0 302.338 0.851 10 0 DCAERN Cn1nccc1CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000121751858 415815742 /nfs/dbraw/zinc/81/57/42/415815742.db2.gz QYZRNOOXCBLIDY-JTQLQIEISA-N 0 0 302.400 0.000 10 0 DCAERN Cn1nccc1CCC(=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000121890126 415820423 /nfs/dbraw/zinc/82/04/23/415820423.db2.gz CZUDAWVCCRAVFT-CYBMUJFWSA-N 0 0 322.434 0.780 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(F)c2F)C1 ZINC000126780409 415877969 /nfs/dbraw/zinc/87/79/69/415877969.db2.gz BLHKQGTWFUNELG-VIFPVBQESA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CCO)CCC2)C[C@@H](C)O1 ZINC000127332269 415886249 /nfs/dbraw/zinc/88/62/49/415886249.db2.gz HSJQXCYMSSTBGQ-VXGBXAGGSA-N 0 0 306.428 0.483 10 0 DCAERN C[C@H](NC(=O)c1ccnnc1)c1ccc(S(N)(=O)=O)cc1 ZINC000128914549 415904608 /nfs/dbraw/zinc/90/46/08/415904608.db2.gz CZVHNOQFJVWWBA-VIFPVBQESA-N 0 0 306.347 0.615 10 0 DCAERN COCC(=O)N(C)CC(=O)NCCOc1ccc(F)cc1F ZINC000131051088 415927969 /nfs/dbraw/zinc/92/79/69/415927969.db2.gz YGZCJXIJELSLLI-UHFFFAOYSA-N 0 0 316.304 0.565 10 0 DCAERN CCc1nc(CNS(=O)(=O)N(C)CCC(=O)OC)cs1 ZINC000336891026 415852536 /nfs/dbraw/zinc/85/25/36/415852536.db2.gz IGVOBRZGOQLRBI-UHFFFAOYSA-N 0 0 321.424 0.535 10 0 DCAERN C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000336898933 415853886 /nfs/dbraw/zinc/85/38/86/415853886.db2.gz QROFIJOASZKJKD-UMSGYPCISA-N 0 0 306.428 0.481 10 0 DCAERN CCCNC(=O)C1CCN(S(=O)(=O)CCCCOC)CC1 ZINC000133134503 415940742 /nfs/dbraw/zinc/94/07/42/415940742.db2.gz XEENROFARGQHON-UHFFFAOYSA-N 0 0 320.455 0.981 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000133905190 415950996 /nfs/dbraw/zinc/95/09/96/415950996.db2.gz XXNSWPYUCXOFBA-UHFFFAOYSA-N 0 0 322.390 0.428 10 0 DCAERN COc1cnc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)nc1 ZINC000297105818 415951469 /nfs/dbraw/zinc/95/14/69/415951469.db2.gz MLYVUCNUDPNWKK-AAEUAGOBSA-N 0 0 321.381 0.670 10 0 DCAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N1CCNC(=O)CC1 ZINC000133755226 415952618 /nfs/dbraw/zinc/95/26/18/415952618.db2.gz KOHBFURUIPYGMK-UHFFFAOYSA-N 0 0 300.318 0.455 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000134078616 415953704 /nfs/dbraw/zinc/95/37/04/415953704.db2.gz HXWRHZPMTOYDIY-MFYHJKBNSA-N 0 0 315.373 0.901 10 0 DCAERN C[C@H](CNC(=O)c1ncccc1Br)S(N)(=O)=O ZINC000356592041 415957641 /nfs/dbraw/zinc/95/76/41/415957641.db2.gz KCWAKBWJKLELHA-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000151086737 415963986 /nfs/dbraw/zinc/96/39/86/415963986.db2.gz XOYNVXQEXWRFKV-OLZOCXBDSA-N 0 0 318.439 0.325 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)CCc1ccccn1 ZINC000153057940 415974928 /nfs/dbraw/zinc/97/49/28/415974928.db2.gz BXBPTQJVEQKPSL-ZDUSSCGKSA-N 0 0 318.421 0.681 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCS1 ZINC000153262752 415978131 /nfs/dbraw/zinc/97/81/31/415978131.db2.gz NOUQYVMHPKRNBF-WDEREUQCSA-N 0 0 317.436 0.971 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000153453950 415980315 /nfs/dbraw/zinc/98/03/15/415980315.db2.gz CSQIFSMRQOZACF-NSHDSACASA-N 0 0 317.324 0.795 10 0 DCAERN C[C@@H](C(=O)N1CCO[C@@H](c2cnn(C)c2)C1)N1CCSCC1 ZINC000153446956 415980632 /nfs/dbraw/zinc/98/06/32/415980632.db2.gz YUMTVCKDKBZCNI-GXTWGEPZSA-N 0 0 324.450 0.757 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153950964 415990335 /nfs/dbraw/zinc/99/03/35/415990335.db2.gz ILSZNAVUJCVWET-UONOGXRCSA-N 0 0 303.362 0.981 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000155241139 415994903 /nfs/dbraw/zinc/99/49/03/415994903.db2.gz MGAGOZOPJPRFBD-IAQYHMDHSA-N 0 0 306.366 0.512 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000155195902 415995544 /nfs/dbraw/zinc/99/55/44/415995544.db2.gz SJYUJLFOLNLVCC-KGLIPLIRSA-N 0 0 317.389 0.885 10 0 DCAERN CCOc1cc(C)nc(N2CCN(CCOCCO)CC2)n1 ZINC000132966989 415938374 /nfs/dbraw/zinc/93/83/74/415938374.db2.gz GKAAONDUKXBAEV-UHFFFAOYSA-N 0 0 310.398 0.315 10 0 DCAERN O=C(NC/C=C/c1ccccc1)NCCCN1C(=O)CNC1=O ZINC000171853908 416042172 /nfs/dbraw/zinc/04/21/72/416042172.db2.gz JFSPHARVEQNMTI-XBXARRHUSA-N 0 0 316.361 0.941 10 0 DCAERN CCCCN(CC(N)=O)C(=O)c1cccc(-n2cncn2)c1 ZINC000172197031 416043604 /nfs/dbraw/zinc/04/36/04/416043604.db2.gz LPSAKRYMOCAOAU-UHFFFAOYSA-N 0 0 301.350 0.995 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000172612794 416047451 /nfs/dbraw/zinc/04/74/51/416047451.db2.gz NEWHYNMQNZUQOR-NWDGAFQWSA-N 0 0 303.428 0.741 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)CC1CCOCC1 ZINC000172987932 416051204 /nfs/dbraw/zinc/05/12/04/416051204.db2.gz RATWFFJNQGITPP-UHFFFAOYSA-N 0 0 306.428 0.589 10 0 DCAERN CC(C)N1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000173011898 416051313 /nfs/dbraw/zinc/05/13/13/416051313.db2.gz GGFYVNORYQRIBI-OLZOCXBDSA-N 0 0 305.444 0.366 10 0 DCAERN CC(=O)c1ccc(CNC(=O)CS(=O)(=O)N(C)C)nc1C ZINC000345167081 416056188 /nfs/dbraw/zinc/05/61/88/416056188.db2.gz PCORXKRXXQTRTH-UHFFFAOYSA-N 0 0 313.379 0.100 10 0 DCAERN C[C@H]1C[C@H](NC(=O)CN(C)C(N)=O)C(=O)N1c1ccccc1 ZINC000173424595 416058660 /nfs/dbraw/zinc/05/86/60/416058660.db2.gz QHWHEDGPJZVZGU-JQWIXIFHSA-N 0 0 304.350 0.307 10 0 DCAERN O=C(NCCCOCC1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173791121 416065408 /nfs/dbraw/zinc/06/54/08/416065408.db2.gz WFKYQOVCLNHWRI-OAHLLOKOSA-N 0 0 311.426 0.919 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173782997 416065617 /nfs/dbraw/zinc/06/56/17/416065617.db2.gz MFSRIZDJFWPCHR-CYBMUJFWSA-N 0 0 312.414 0.017 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000357363776 416067428 /nfs/dbraw/zinc/06/74/28/416067428.db2.gz MGGVXLGNQTVWQN-WUHRBBMRSA-N 0 0 300.424 0.759 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000357386318 416071218 /nfs/dbraw/zinc/07/12/18/416071218.db2.gz WWWXVVNRFLRIAM-CBBWQLFWSA-N 0 0 324.421 0.822 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCCOC)ncn1 ZINC000174000750 416072113 /nfs/dbraw/zinc/07/21/13/416072113.db2.gz ICYYDTXTBZCANZ-LBPRGKRZSA-N 0 0 322.413 0.823 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC(n2ccnc2)CC1 ZINC000174152758 416073514 /nfs/dbraw/zinc/07/35/14/416073514.db2.gz MCZXLDDNJFSCLY-UHFFFAOYSA-N 0 0 303.370 0.857 10 0 DCAERN COC(=O)CCCC(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000357400411 416074043 /nfs/dbraw/zinc/07/40/43/416074043.db2.gz DGHAKNQTCXDWFS-UHFFFAOYSA-N 0 0 309.370 0.101 10 0 DCAERN CN(CC(=O)NC(C)(C)C)c1ncc(S(N)(=O)=O)s1 ZINC000301081269 416074685 /nfs/dbraw/zinc/07/46/85/416074685.db2.gz FNWSDUSGDPJGIA-UHFFFAOYSA-N 0 0 306.413 0.141 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@H](C)NC3=S)C2=O)n(C)n1 ZINC000174448011 416077739 /nfs/dbraw/zinc/07/77/39/416077739.db2.gz XJXPUVQECMOSLV-UWVGGRQHSA-N 0 0 321.406 0.329 10 0 DCAERN CNS(=O)(=O)c1ccc(NCCCn2cc(C)cn2)nc1 ZINC000301233742 416078325 /nfs/dbraw/zinc/07/83/25/416078325.db2.gz JBEGRYVDKAXZAX-UHFFFAOYSA-N 0 0 309.395 0.997 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000356938809 416008704 /nfs/dbraw/zinc/00/87/04/416008704.db2.gz QHCQASQXTLTDAV-YNEHKIRRSA-N 0 0 311.426 0.469 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N(C[C@H]1CCOC1)C1CC1 ZINC000164449822 416016801 /nfs/dbraw/zinc/01/68/01/416016801.db2.gz OMSLPVDSXDEMTR-GFCCVEGCSA-N 0 0 303.362 0.839 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000166719065 416021009 /nfs/dbraw/zinc/02/10/09/416021009.db2.gz PPTGAXVNCURBQA-CYBMUJFWSA-N 0 0 318.377 0.428 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C)c1 ZINC000166714129 416021876 /nfs/dbraw/zinc/02/18/76/416021876.db2.gz CJWHLDFXQCMVQI-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN C[C@H](NCc1nc(N)nc(N)n1)c1ccc2c(c1)OCCO2 ZINC000170738893 416030337 /nfs/dbraw/zinc/03/03/37/416030337.db2.gz GWXIYPWTCBOGIK-QMMMGPOBSA-N 0 0 302.338 0.658 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000170839074 416034247 /nfs/dbraw/zinc/03/42/47/416034247.db2.gz WYFXEHNMGGLOJF-MRVPVSSYSA-N 0 0 303.318 0.985 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000170822874 416034869 /nfs/dbraw/zinc/03/48/69/416034869.db2.gz WVPVLZMKXPQNIF-GMSGAONNSA-N 0 0 314.338 0.692 10 0 DCAERN COCC[N@H+](C)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000171099106 416036031 /nfs/dbraw/zinc/03/60/31/416036031.db2.gz DGFDZJNEPUVEMX-UHFFFAOYSA-N 0 0 304.350 0.231 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](O)C(F)F)CC2 ZINC000357142415 416036897 /nfs/dbraw/zinc/03/68/97/416036897.db2.gz OJUMPXJZNFAGDA-DTWKUNHWSA-N 0 0 317.340 0.642 10 0 DCAERN CNC(=O)c1cccnc1NCC(C)(C)NS(C)(=O)=O ZINC000301387347 416083962 /nfs/dbraw/zinc/08/39/62/416083962.db2.gz DHEFIEKKPJXTGQ-UHFFFAOYSA-N 0 0 300.384 0.181 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000174916148 416091135 /nfs/dbraw/zinc/09/11/35/416091135.db2.gz ODNMXPGAUCFUKP-SNVBAGLBSA-N 0 0 307.350 0.793 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCOC3)C2=O)n(C)n1 ZINC000174998292 416094299 /nfs/dbraw/zinc/09/42/99/416094299.db2.gz CQLSXBAZDRYCKA-RYUDHWBXSA-N 0 0 306.366 0.377 10 0 DCAERN CC(C)OCCS(=O)(=O)NCc1cccnc1N(C)C ZINC000175077238 416095107 /nfs/dbraw/zinc/09/51/07/416095107.db2.gz NVNLNDZLOQYVPK-UHFFFAOYSA-N 0 0 301.412 0.992 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H](C)CCO)C2=O)n(C)n1 ZINC000175149406 416097711 /nfs/dbraw/zinc/09/77/11/416097711.db2.gz RVWSJVSRADRLCZ-CMPLNLGQSA-N 0 0 323.397 0.294 10 0 DCAERN COc1ccnc(N2CCN([C@H](C)C(=O)N(C)C(C)C)CC2)n1 ZINC000175184038 416099499 /nfs/dbraw/zinc/09/94/99/416099499.db2.gz DRFGZVCDYOBTOG-CYBMUJFWSA-N 0 0 321.425 0.863 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000312260135 416106009 /nfs/dbraw/zinc/10/60/09/416106009.db2.gz OFPUIIAIUDTWNP-SNVBAGLBSA-N 0 0 316.345 0.962 10 0 DCAERN COc1cc2nc(NCCc3cn[nH]c3)nc(N)c2cc1OC ZINC000357622245 416107186 /nfs/dbraw/zinc/10/71/86/416107186.db2.gz MSBGZVBQAPCYJF-UHFFFAOYSA-N 0 0 314.349 1.029 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N(C)CC(=O)Nc2ccccc2)C1 ZINC000175541958 416108604 /nfs/dbraw/zinc/10/86/04/416108604.db2.gz HSVZNSXZYXAQSU-CYBMUJFWSA-N 0 0 303.362 0.952 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000175521541 416108870 /nfs/dbraw/zinc/10/88/70/416108870.db2.gz IDJAMLZTTPTEBN-ZDUSSCGKSA-N 0 0 317.389 0.839 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCCC[C@H]1CN1CCOCC1 ZINC000175877940 416116000 /nfs/dbraw/zinc/11/60/00/416116000.db2.gz KBBXYKAYCKIVFR-ZDUSSCGKSA-N 0 0 307.398 0.451 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000176051883 416118334 /nfs/dbraw/zinc/11/83/34/416118334.db2.gz PZMSDJUDVKZJMT-GXSJLCMTSA-N 0 0 311.304 0.026 10 0 DCAERN O=C(NCCO)c1ccc(N[C@H]2CCCC23CCOCC3)nn1 ZINC000328633283 416124739 /nfs/dbraw/zinc/12/47/39/416124739.db2.gz AWZPVMQAHJTMDA-ZDUSSCGKSA-N 0 0 320.393 0.960 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000176428397 416125144 /nfs/dbraw/zinc/12/51/44/416125144.db2.gz VMIQVEJZPUAZNU-UHFFFAOYSA-N 0 0 303.362 0.531 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1c(OC)cccc1OC ZINC000176493776 416126774 /nfs/dbraw/zinc/12/67/74/416126774.db2.gz RIBDAWJHCFFLOE-LBPRGKRZSA-N 0 0 306.362 0.983 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000328902154 416137249 /nfs/dbraw/zinc/13/72/49/416137249.db2.gz GGXHQUAXBIVESS-SOUVJXGZSA-N 0 0 323.437 0.567 10 0 DCAERN CC[C@H](NC(=O)Nc1c(C)nn(C)c1C)C(=O)N1CCOCC1 ZINC000357830757 416138147 /nfs/dbraw/zinc/13/81/47/416138147.db2.gz RDCVXHAPBRFCMZ-LBPRGKRZSA-N 0 0 323.397 0.796 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000357828742 416138252 /nfs/dbraw/zinc/13/82/52/416138252.db2.gz LWTJWOWCCSCOCJ-LLVKDONJSA-N 0 0 317.345 0.117 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000177031311 416139744 /nfs/dbraw/zinc/13/97/44/416139744.db2.gz HHHVWJRILNAZET-LBPRGKRZSA-N 0 0 321.377 0.393 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)n(C)n1 ZINC000177257821 416143921 /nfs/dbraw/zinc/14/39/21/416143921.db2.gz YRQUDJGDJUTNIE-GXTWGEPZSA-N 0 0 321.425 0.320 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357867297 416144094 /nfs/dbraw/zinc/14/40/94/416144094.db2.gz DXOIBEGKLWAANP-WDEREUQCSA-N 0 0 319.427 0.072 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCC(C)(C)CCCO)C1 ZINC000357880167 416145698 /nfs/dbraw/zinc/14/56/98/416145698.db2.gz OJNJBHFWNNBHRR-RYUDHWBXSA-N 0 0 300.399 0.585 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)[C@H](C)C1 ZINC000357917758 416152401 /nfs/dbraw/zinc/15/24/01/416152401.db2.gz BCPXMUGVMXXQFY-OLZOCXBDSA-N 0 0 317.389 0.884 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)Sc2nncn2C)[C@@H](C)C1 ZINC000357924177 416154430 /nfs/dbraw/zinc/15/44/30/416154430.db2.gz HCEJDCWZWZDJLU-UWVGGRQHSA-N 0 0 311.411 0.375 10 0 DCAERN CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCCc2c1cnn2C ZINC000178661963 416167592 /nfs/dbraw/zinc/16/75/92/416167592.db2.gz VAMRUKTXMGLNGK-NSHDSACASA-N 0 0 304.350 0.309 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(C)C ZINC000178683845 416169604 /nfs/dbraw/zinc/16/96/04/416169604.db2.gz RAUYCMPKFXOVLE-GFCCVEGCSA-N 0 0 306.366 0.355 10 0 DCAERN O=C(NCc1ccccc1N1CCOCC1)[C@@H]1COCCN1 ZINC000178706341 416169654 /nfs/dbraw/zinc/16/96/54/416169654.db2.gz PMUBUTBKEITWET-AWEZNQCLSA-N 0 0 305.378 0.128 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)c1cc(F)c(F)c(F)c1F ZINC000178726144 416170713 /nfs/dbraw/zinc/17/07/13/416170713.db2.gz AJZMLRKGEMTARI-QMMMGPOBSA-N 0 0 317.286 0.973 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CCNC(=O)c1cccs1 ZINC000182846157 416233190 /nfs/dbraw/zinc/23/31/90/416233190.db2.gz FORXPSBZRRBQQU-CQSZACIVSA-N 0 0 314.407 0.772 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccccc1Cn1cncn1)C(C)C ZINC000178861302 416174886 /nfs/dbraw/zinc/17/48/86/416174886.db2.gz RLWNQNBETBLJDU-AWEZNQCLSA-N 0 0 315.377 0.827 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)C(=O)Nc1ccc(Cl)cc1 ZINC000178960686 416179734 /nfs/dbraw/zinc/17/97/34/416179734.db2.gz ZKWHTNCKOFYOMF-ZDUSSCGKSA-N 0 0 322.796 0.395 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179348580 416186615 /nfs/dbraw/zinc/18/66/15/416186615.db2.gz CJPRQIWLXCUXCC-SNVBAGLBSA-N 0 0 300.384 0.683 10 0 DCAERN COCc1ccsc1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000179885358 416192761 /nfs/dbraw/zinc/19/27/61/416192761.db2.gz GCYRKVNDBGGUEG-LBPRGKRZSA-N 0 0 314.407 0.317 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000180311005 416195465 /nfs/dbraw/zinc/19/54/65/416195465.db2.gz LEXXMDYSPDHRSA-MRXNPFEDSA-N 0 0 319.361 0.520 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CNC(=O)c1cccc(F)c1 ZINC000180394537 416195836 /nfs/dbraw/zinc/19/58/36/416195836.db2.gz PSTAADBFSOSAGE-OAHLLOKOSA-N 0 0 312.341 0.459 10 0 DCAERN CCCNC(=O)[C@H](C)[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180250640 416195888 /nfs/dbraw/zinc/19/58/88/416195888.db2.gz QLIVGWOHNGCZOP-RLBGWGEZSA-N 0 0 304.441 0.768 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc(C)nc1C)CC2 ZINC000180414916 416195930 /nfs/dbraw/zinc/19/59/30/416195930.db2.gz MQATVOWHLIZZTE-NSHDSACASA-N 0 0 300.366 0.992 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000181043240 416203237 /nfs/dbraw/zinc/20/32/37/416203237.db2.gz UKIWNPSQZFURPV-DGCLKSJQSA-N 0 0 306.362 0.654 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)n(C)c1 ZINC000181343260 416205585 /nfs/dbraw/zinc/20/55/85/416205585.db2.gz APAIOXMJPZLADT-OAHLLOKOSA-N 0 0 315.377 0.748 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CNC(=O)CC(C)(C)C)cn1 ZINC000181369082 416206730 /nfs/dbraw/zinc/20/67/30/416206730.db2.gz SKDXEPOLCIZVFH-CYBMUJFWSA-N 0 0 321.425 0.445 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181384441 416206903 /nfs/dbraw/zinc/20/69/03/416206903.db2.gz GTEGIJJMTGZBRY-AWEZNQCLSA-N 0 0 321.425 0.590 10 0 DCAERN COC(=O)C[C@H]1CN(Cc2nnc(C3CCC3)n2C)CCO1 ZINC000181414636 416207547 /nfs/dbraw/zinc/20/75/47/416207547.db2.gz ZFZCGJLJADHOQN-LBPRGKRZSA-N 0 0 308.382 0.847 10 0 DCAERN O=C(CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)NCC1CC1 ZINC000182040543 416212906 /nfs/dbraw/zinc/21/29/06/416212906.db2.gz ADXJOHVDAYIORA-BBRMVZONSA-N 0 0 309.410 0.849 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H](C)C2 ZINC000182194315 416215246 /nfs/dbraw/zinc/21/52/46/416215246.db2.gz FYTCMUFIXYHXRX-BMIGLBTASA-N 0 0 313.361 0.735 10 0 DCAERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000182212692 416215963 /nfs/dbraw/zinc/21/59/63/416215963.db2.gz FPDTYSQGYDGMPE-CMPLNLGQSA-N 0 0 302.334 0.543 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)CO ZINC000182430181 416223359 /nfs/dbraw/zinc/22/33/59/416223359.db2.gz GSRCTKSYFBBQPH-VIFPVBQESA-N 0 0 318.370 0.380 10 0 DCAERN CCC(=O)N[C@H](CCSC)C(=O)NC[C@H](CO)C1CC1 ZINC000358365167 416229874 /nfs/dbraw/zinc/22/98/74/416229874.db2.gz ZKLYMVCRZLHICS-VXGBXAGGSA-N 0 0 302.440 0.769 10 0 DCAERN CO[C@H]1C[C@H](CO)N(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000345844417 416157767 /nfs/dbraw/zinc/15/77/67/416157767.db2.gz QUXZUGLUVHZDNP-NEPJUHHUSA-N 0 0 323.397 0.296 10 0 DCAERN COCCc1cc(NC(=O)C(=O)NC[C@H](C)C(C)C)n(C)n1 ZINC000178250436 416158695 /nfs/dbraw/zinc/15/86/95/416158695.db2.gz YCEJARBUDQSRQQ-NSHDSACASA-N 0 0 310.398 0.956 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N1CCOC[C@H](C)C1)c1ccccc1 ZINC000357959424 416159367 /nfs/dbraw/zinc/15/93/67/416159367.db2.gz MKXFGXIMNRFZKW-UKRRQHHQSA-N 0 0 320.389 0.985 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000178342038 416162908 /nfs/dbraw/zinc/16/29/08/416162908.db2.gz SENKKULYLIMASQ-HIFRSBDPSA-N 0 0 323.414 0.976 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)C(=O)NCCn2ccnc2C)n1 ZINC000357979852 416164650 /nfs/dbraw/zinc/16/46/50/416164650.db2.gz LJSUVHIEPSDEQV-SNVBAGLBSA-N 0 0 321.406 0.950 10 0 DCAERN C[C@H](O)CN(C(=O)NCc1cccnc1N(C)C)[C@@H](C)CO ZINC000190277991 416277838 /nfs/dbraw/zinc/27/78/38/416277838.db2.gz JKUXDAFXJXYLSO-RYUDHWBXSA-N 0 0 310.398 0.421 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H](O)Cc1ccccc1 ZINC000183555542 416244853 /nfs/dbraw/zinc/24/48/53/416244853.db2.gz SDDOPRSBMRNXTP-CQSZACIVSA-N 0 0 303.366 0.571 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C3CC(=O)C3)C2=O)n(C)n1 ZINC000183554827 416245651 /nfs/dbraw/zinc/24/56/51/416245651.db2.gz MYANALPEGAAALK-GFCCVEGCSA-N 0 0 304.350 0.319 10 0 DCAERN COCCn1cc(S(=O)(=O)N(C)Cc2noc(C)n2)cn1 ZINC000358505222 416245904 /nfs/dbraw/zinc/24/59/04/416245904.db2.gz SETZZGGXPCUIBY-UHFFFAOYSA-N 0 0 315.355 0.042 10 0 DCAERN CC(C)C[C@@H](C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000184690409 416251684 /nfs/dbraw/zinc/25/16/84/416251684.db2.gz IVBNVZOEDONIQE-VXGBXAGGSA-N 0 0 318.439 0.478 10 0 DCAERN C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCN1CCO ZINC000187291494 416260092 /nfs/dbraw/zinc/26/00/92/416260092.db2.gz XLHIATRYDOVZFP-LLVKDONJSA-N 0 0 311.407 0.003 10 0 DCAERN Cc1cc(N2CCN(Cc3cc(=O)n4nccc4[nH]3)CC2)n[nH]1 ZINC000187195335 416261161 /nfs/dbraw/zinc/26/11/61/416261161.db2.gz BWTWQOKKRVDAPE-UHFFFAOYSA-N 0 0 313.365 0.376 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(C(N)=O)cn1C ZINC000189761012 416269846 /nfs/dbraw/zinc/26/98/46/416269846.db2.gz ASKLFQHRDUWONH-SECBINFHSA-N 0 0 307.272 0.509 10 0 DCAERN CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000189821484 416271616 /nfs/dbraw/zinc/27/16/16/416271616.db2.gz MTHLPHWJMFFAPP-UHFFFAOYSA-N 0 0 310.375 0.394 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000190206079 416276696 /nfs/dbraw/zinc/27/66/96/416276696.db2.gz JKVAFPUINRKNGO-ZYHUDNBSSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCN3C(=O)N=NC3C2)c1 ZINC000358804739 416277217 /nfs/dbraw/zinc/27/72/17/416277217.db2.gz JWUOUXMJHFRPKJ-UHFFFAOYSA-N 0 0 315.333 0.641 10 0 DCAERN Cn1ccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 ZINC000182977951 416235284 /nfs/dbraw/zinc/23/52/84/416235284.db2.gz GRPFESTXGWHMTO-UHFFFAOYSA-N 0 0 320.393 0.060 10 0 DCAERN CCC(CC)[C@@H](C(=O)Nc1nc(OC)n[nH]1)N1CCOCC1 ZINC000183002786 416235346 /nfs/dbraw/zinc/23/53/46/416235346.db2.gz JWKRUVSOUJDFRR-NSHDSACASA-N 0 0 311.386 0.889 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000359048585 416301500 /nfs/dbraw/zinc/30/15/00/416301500.db2.gz BMIJMUMUGLYEIL-UHFFFAOYSA-N 0 0 306.301 0.255 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)C[C@H](C)C2)c1 ZINC000192184781 416302163 /nfs/dbraw/zinc/30/21/63/416302163.db2.gz GILQVRYBPHBNSO-GFCCVEGCSA-N 0 0 314.411 0.268 10 0 DCAERN CCCNC(=O)CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192519913 416307547 /nfs/dbraw/zinc/30/75/47/416307547.db2.gz VMXXJOCDLNDVQZ-UHFFFAOYSA-N 0 0 302.334 0.749 10 0 DCAERN CN(C)C(=O)CNS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192598210 416308674 /nfs/dbraw/zinc/30/86/74/416308674.db2.gz FYOQNAXMDNCCOL-UHFFFAOYSA-N 0 0 312.391 0.767 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000192644982 416309567 /nfs/dbraw/zinc/30/95/67/416309567.db2.gz XOGYMYJLCMYMIC-FZMZJTMJSA-N 0 0 306.362 0.840 10 0 DCAERN CN1C(=O)N(CC(=O)NCc2cc[nH]n2)C(=O)C12CCCCC2 ZINC000193410296 416316154 /nfs/dbraw/zinc/31/61/54/416316154.db2.gz SLKCWXCYQSRZBI-UHFFFAOYSA-N 0 0 319.365 0.623 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)n1 ZINC000193925216 416320961 /nfs/dbraw/zinc/32/09/61/416320961.db2.gz GEQGYRYHIZXOKM-GHMZBOCLSA-N 0 0 304.350 0.441 10 0 DCAERN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N2CCNC(=O)CC2)cn1 ZINC000190452222 416279730 /nfs/dbraw/zinc/27/97/30/416279730.db2.gz DXNBIBHEUBWVES-SNVBAGLBSA-N 0 0 319.365 0.141 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H](C)O1 ZINC000190554066 416280896 /nfs/dbraw/zinc/28/08/96/416280896.db2.gz RXYKRMZOJCLBSO-AGIUHOORSA-N 0 0 306.428 0.699 10 0 DCAERN CC[C@@]1(C)CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000190596363 416281652 /nfs/dbraw/zinc/28/16/52/416281652.db2.gz QTZQTTMCNAMDIE-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000331199861 416285155 /nfs/dbraw/zinc/28/51/55/416285155.db2.gz YKSTUCNBGKHNBB-CYBMUJFWSA-N 0 0 304.390 0.957 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000192085737 416298649 /nfs/dbraw/zinc/29/86/49/416298649.db2.gz VPSBJCIPYWIZRG-ZJUUUORDSA-N 0 0 319.365 0.140 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000192100789 416299576 /nfs/dbraw/zinc/29/95/76/416299576.db2.gz VHJZJRJTRHDYQM-VIFPVBQESA-N 0 0 319.365 0.140 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)CN(C)C(C)=O ZINC000261929747 416335779 /nfs/dbraw/zinc/33/57/79/416335779.db2.gz JMGGSLPMGFITMB-CQSZACIVSA-N 0 0 305.378 0.646 10 0 DCAERN COC(=O)C1CCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000359358617 416343428 /nfs/dbraw/zinc/34/34/28/416343428.db2.gz HQJDRPDEJQEFTP-UHFFFAOYSA-N 0 0 317.349 0.824 10 0 DCAERN CN1CC[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)CC1=O ZINC000194658309 416324285 /nfs/dbraw/zinc/32/42/85/416324285.db2.gz ZXCSZGKPUFQHRE-CYBMUJFWSA-N 0 0 313.361 0.752 10 0 DCAERN NS(=O)(=O)Cc1cccc(C(=O)NC[C@H](CO)C2CC2)c1 ZINC000359778624 416358072 /nfs/dbraw/zinc/35/80/72/416358072.db2.gz QCFXVPKCXAOOFU-CYBMUJFWSA-N 0 0 312.391 0.223 10 0 DCAERN Cn1cc(NC(=O)[C@@H]2COCCN2)cc(Br)c1=O ZINC000237795282 416328947 /nfs/dbraw/zinc/32/89/47/416328947.db2.gz QBJUOOQPHLMGMQ-VIFPVBQESA-N 0 0 316.155 0.075 10 0 DCAERN Cn1cc(NC(=O)[C@H]2COCCN2)cc(Br)c1=O ZINC000237796003 416329010 /nfs/dbraw/zinc/32/90/10/416329010.db2.gz QBJUOOQPHLMGMQ-SECBINFHSA-N 0 0 316.155 0.075 10 0 DCAERN CCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nnnn1C ZINC000360130193 416373277 /nfs/dbraw/zinc/37/32/77/416373277.db2.gz GSVAULYGHGKCAT-UHFFFAOYSA-N 0 0 324.410 0.409 10 0 DCAERN COCCOCCS(=O)(=O)NC[C@](C)(O)C1CCCCC1 ZINC000360148805 416375302 /nfs/dbraw/zinc/37/53/02/416375302.db2.gz LNCGCBCPZYTZOY-AWEZNQCLSA-N 0 0 323.455 0.900 10 0 DCAERN COC(=O)C1(CS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000360216714 416380415 /nfs/dbraw/zinc/38/04/15/416380415.db2.gz BIEPBFCMKCUDFJ-QWRGUYRKSA-N 0 0 305.396 0.769 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@](C)(CC)OC ZINC000360312236 416385598 /nfs/dbraw/zinc/38/55/98/416385598.db2.gz ZROOPOVUCUXLNC-PKFCDNJMSA-N 0 0 302.371 0.374 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360541494 416395286 /nfs/dbraw/zinc/39/52/86/416395286.db2.gz GEZMHXOEMYWMBW-IUODEOHRSA-N 0 0 306.362 0.817 10 0 DCAERN CN1CN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1=O ZINC000360681969 416402862 /nfs/dbraw/zinc/40/28/62/416402862.db2.gz KZHIKJFEDCHRDH-UHFFFAOYSA-N 0 0 313.361 0.873 10 0 DCAERN CC[C@@H](CSC)NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000360773858 416410004 /nfs/dbraw/zinc/41/00/04/416410004.db2.gz UBBGKZDNAPVKPS-QWRGUYRKSA-N 0 0 320.480 0.571 10 0 DCAERN COCCCC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360804922 416410805 /nfs/dbraw/zinc/41/08/05/416410805.db2.gz IMAILSCFLQPFIP-GFCCVEGCSA-N 0 0 318.439 0.733 10 0 DCAERN O=C(c1cc[nH]c1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819612 416411977 /nfs/dbraw/zinc/41/19/77/416411977.db2.gz UYFNJVWOSCVWRH-NSHDSACASA-N 0 0 311.407 0.949 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccccc2OCCO)CC(=O)N1 ZINC000458441120 416467474 /nfs/dbraw/zinc/46/74/74/416467474.db2.gz XVYXRXZIPCTMAW-NSHDSACASA-N 0 0 307.350 0.088 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@]2(O)CCO[C@H]2C)n1 ZINC000434302170 416469343 /nfs/dbraw/zinc/46/93/43/416469343.db2.gz TYRRRQWFRZPEOO-XHDPSFHLSA-N 0 0 309.366 0.472 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)NCCc1cccc(OC)n1 ZINC000458534961 416478219 /nfs/dbraw/zinc/47/82/19/416478219.db2.gz ZCLUYRSXGBRNDK-CHWSQXEVSA-N 0 0 309.366 0.736 10 0 DCAERN COCCOCCNC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361698061 416479411 /nfs/dbraw/zinc/47/94/11/416479411.db2.gz BADUNSPGKDNZKA-UHFFFAOYSA-N 0 0 312.370 0.261 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)N(C)CC2CC2)c1C ZINC000361705569 416481606 /nfs/dbraw/zinc/48/16/06/416481606.db2.gz MAIHQLYDNCMLBJ-UHFFFAOYSA-N 0 0 308.338 0.171 10 0 DCAERN NC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)c2ccccc2)C1 ZINC000533187088 416482008 /nfs/dbraw/zinc/48/20/08/416482008.db2.gz FVVOEMKWGZQLMN-KGLIPLIRSA-N 0 0 305.378 0.669 10 0 DCAERN CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCO)CCO1 ZINC000361132414 416423017 /nfs/dbraw/zinc/42/30/17/416423017.db2.gz PLWMPVWCXFINJY-QWHCGFSZSA-N 0 0 300.399 0.537 10 0 DCAERN COCCNC(=O)c1ccc(N2CCC[C@@H](C(=O)OC)C2)nc1 ZINC000361169782 416423840 /nfs/dbraw/zinc/42/38/40/416423840.db2.gz ISWUGVNHHOVDFN-CYBMUJFWSA-N 0 0 321.377 0.847 10 0 DCAERN CN1CCC[C@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000361195790 416425451 /nfs/dbraw/zinc/42/54/51/416425451.db2.gz NKRFXZANGHWJTM-CABZTGNLSA-N 0 0 323.315 0.706 10 0 DCAERN C[S@](=O)CCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361210255 416425913 /nfs/dbraw/zinc/42/59/13/416425913.db2.gz XFQLSPLNQQJSCM-SBKAZYGRSA-N 0 0 316.345 0.854 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)OCC ZINC000361407118 416434986 /nfs/dbraw/zinc/43/49/86/416434986.db2.gz CKOQSXCWDLKJRQ-SCBUBVSKSA-N 0 0 305.396 0.983 10 0 DCAERN C/C=C/C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)OCC ZINC000361407115 416435413 /nfs/dbraw/zinc/43/54/13/416435413.db2.gz CKOQSXCWDLKJRQ-CHULQOHASA-N 0 0 305.396 0.983 10 0 DCAERN C/C=C/C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OCC ZINC000361531480 416445207 /nfs/dbraw/zinc/44/52/07/416445207.db2.gz AFTGXEKPWDERCX-JOAKQRRISA-N 0 0 310.350 0.540 10 0 DCAERN C/C=C/C[C@@H](NC(=O)CS(=O)(=O)CCC)C(=O)OCC ZINC000361570769 416453425 /nfs/dbraw/zinc/45/34/25/416453425.db2.gz XYONWMSIOGMMOD-TZOMUSMUSA-N 0 0 305.396 0.825 10 0 DCAERN CCn1nncc1CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000459368891 416536548 /nfs/dbraw/zinc/53/65/48/416536548.db2.gz DNDWBNFWEODCLQ-UHFFFAOYSA-N 0 0 315.377 0.962 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)Nc1cc(F)c(F)c(F)c1 ZINC000459422336 416542420 /nfs/dbraw/zinc/54/24/20/416542420.db2.gz XTQCBIRFAZYPHD-MRVPVSSYSA-N 0 0 315.255 0.878 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)N(C)C)CC1(C)C ZINC000362038260 416547364 /nfs/dbraw/zinc/54/73/64/416547364.db2.gz OZJSFLNGQLGVEV-ZDUSSCGKSA-N 0 0 324.425 0.602 10 0 DCAERN COC(=O)C[C@@]1(NC(=O)Cn2ncc3ccccc32)CCOC1 ZINC000362038290 416548410 /nfs/dbraw/zinc/54/84/10/416548410.db2.gz PBLXMQVWWIFZEH-INIZCTEOSA-N 0 0 317.345 0.875 10 0 DCAERN COCCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)C(N)=O ZINC000436139089 416549327 /nfs/dbraw/zinc/54/93/27/416549327.db2.gz XFRIBYKZHQIYDK-SNVBAGLBSA-N 0 0 323.349 0.176 10 0 DCAERN COC(=O)CN1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000361756658 416492894 /nfs/dbraw/zinc/49/28/94/416492894.db2.gz VNCIVDXGRSWBEQ-UHFFFAOYSA-N 0 0 324.381 1.295 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NCCCC(N)=O)no2)CCCC1 ZINC000434737080 416493901 /nfs/dbraw/zinc/49/39/01/416493901.db2.gz ISXSABFSJXOIBR-UHFFFAOYSA-N 0 0 322.365 0.827 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000434741760 416494000 /nfs/dbraw/zinc/49/40/00/416494000.db2.gz ISAUEWVLMBBTKZ-JFGNBEQYSA-N 0 0 306.366 0.982 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)NCCN3CCC3)no2)CCCC1 ZINC000434815696 416497694 /nfs/dbraw/zinc/49/76/94/416497694.db2.gz CNMOQZZBJYGYKZ-UHFFFAOYSA-N 0 0 320.393 1.267 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434801163 416498102 /nfs/dbraw/zinc/49/81/02/416498102.db2.gz DSODCHSNLROEQV-LLVKDONJSA-N 0 0 323.393 1.578 10 0 DCAERN Cn1ccc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)n1 ZINC000535031719 416513848 /nfs/dbraw/zinc/51/38/48/416513848.db2.gz MOSIUKLQJPXUEM-GFCCVEGCSA-N 0 0 302.382 0.928 10 0 DCAERN Nc1nc(Cl)cc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000364887358 416597358 /nfs/dbraw/zinc/59/73/58/416597358.db2.gz HMJFGRAGTXFJNL-VIFPVBQESA-N 0 0 311.773 0.326 10 0 DCAERN Cn1cccc(NC(=O)C(=O)NCCc2ccccc2O)c1=O ZINC000438869541 416600995 /nfs/dbraw/zinc/60/09/95/416600995.db2.gz ZLKPRLJLNBTJNB-UHFFFAOYSA-N 0 0 315.329 0.388 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(O)c(C)c1 ZINC000436821582 416571344 /nfs/dbraw/zinc/57/13/44/416571344.db2.gz LSSYMGMKYMKNDN-GHMZBOCLSA-N 0 0 322.361 0.887 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCSC[C@@H]1CCO ZINC000539312639 416578524 /nfs/dbraw/zinc/57/85/24/416578524.db2.gz NJDGPWAZRACVHZ-FRRDWIJNSA-N 0 0 318.439 0.690 10 0 DCAERN c1nnc([C@@H]2CCCN(c3nccn4nnnc34)C2)n1C1CC1 ZINC000540337996 416589860 /nfs/dbraw/zinc/58/98/60/416589860.db2.gz HYJGKIAUHWEQTL-SNVBAGLBSA-N 0 0 311.353 0.830 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)N[C@@H](C(N)=O)c2ccccc2)n1 ZINC000547761946 416680562 /nfs/dbraw/zinc/68/05/62/416680562.db2.gz KXNOIOFKXYMKGR-LLVKDONJSA-N 0 0 316.365 1.381 10 0 DCAERN C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440028175 416625651 /nfs/dbraw/zinc/62/56/51/416625651.db2.gz PQSXDIMFDKBKHC-LLVKDONJSA-N 0 0 319.361 0.639 10 0 DCAERN O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc2ncnn21 ZINC000542499724 416626073 /nfs/dbraw/zinc/62/60/73/416626073.db2.gz PXXBJAVOOYNBJH-ABAIWWIYSA-N 0 0 302.334 0.797 10 0 DCAERN Fc1cc(CN2CCN3CCOC[C@@H]3C2)ccc1-n1cncn1 ZINC000542692104 416627653 /nfs/dbraw/zinc/62/76/53/416627653.db2.gz YPOXFOBLDIAMBP-AWEZNQCLSA-N 0 0 317.368 0.923 10 0 DCAERN O=C(c1ccc(NC2CC2)nc1)N1CCN2CCOC[C@@H]2C1 ZINC000542684876 416628667 /nfs/dbraw/zinc/62/86/67/416628667.db2.gz ICSAYGABFRSVQF-AWEZNQCLSA-N 0 0 302.378 0.813 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NC[C@@](C)(O)C2CC2)[C@@H]1c1cccnc1 ZINC000608472288 416649923 /nfs/dbraw/zinc/64/99/23/416649923.db2.gz NXKYMBYTLIWBGF-JLJPHGGASA-N 0 0 317.389 0.878 10 0 DCAERN O=C(NCC(F)F)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000544389762 416655311 /nfs/dbraw/zinc/65/53/11/416655311.db2.gz HDSPMYJBRBZTKF-LURJTMIESA-N 0 0 303.231 0.121 10 0 DCAERN COc1ccccc1Nc1nc(N)nc(CN(C)CCCO)n1 ZINC000440957762 416655964 /nfs/dbraw/zinc/65/59/64/416655964.db2.gz QGONVJVHMVSHHK-UHFFFAOYSA-N 0 0 318.381 0.442 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C ZINC000368119452 416656704 /nfs/dbraw/zinc/65/67/04/416656704.db2.gz LCSMDVDCQWMSMB-INIZCTEOSA-N 0 0 315.373 0.687 10 0 DCAERN CCc1nc(C(C)(C)NCCCS(=O)(=O)N(C)C)no1 ZINC000441234012 416665626 /nfs/dbraw/zinc/66/56/26/416665626.db2.gz POIFGMWGWLSIHT-UHFFFAOYSA-N 0 0 304.416 0.738 10 0 DCAERN CN1CCN(CC(=O)Nc2ccc(N3CCCC3)nc2)CC1=O ZINC000545177665 416666054 /nfs/dbraw/zinc/66/60/54/416666054.db2.gz FREGLKMMITYZBH-UHFFFAOYSA-N 0 0 317.393 0.394 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000545318307 416672851 /nfs/dbraw/zinc/67/28/51/416672851.db2.gz ZCLUNDXKONCJDC-RYUDHWBXSA-N 0 0 302.396 0.749 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)c1 ZINC000623098306 416744506 /nfs/dbraw/zinc/74/45/06/416744506.db2.gz ZOSQSLKAJFALSG-CHWSQXEVSA-N 0 0 318.381 0.754 10 0 DCAERN Cc1cc(NC(=O)CN2CCOCC2=O)nn1-c1ccccc1 ZINC000548065444 416685377 /nfs/dbraw/zinc/68/53/77/416685377.db2.gz VEDJIYRVJZTSPA-UHFFFAOYSA-N 0 0 314.345 0.978 10 0 DCAERN O=S(=O)(Cc1cccc(F)c1)N1CCN2CCOC[C@H]2C1 ZINC000368708039 416686462 /nfs/dbraw/zinc/68/64/62/416686462.db2.gz VEAQHZLBZVOQAX-CQSZACIVSA-N 0 0 314.382 0.672 10 0 DCAERN CN(Cc1nc(Cc2cccc(F)c2)no1)Cc1nnnn1C ZINC000514983915 416687782 /nfs/dbraw/zinc/68/77/82/416687782.db2.gz PUWWQPXAZHACLB-UHFFFAOYSA-N 0 0 317.328 0.955 10 0 DCAERN CCOC(=O)c1csc(NCCCCS(C)(=O)=O)n1 ZINC000425262350 416688075 /nfs/dbraw/zinc/68/80/75/416688075.db2.gz HCSRQNFYWZNLAI-UHFFFAOYSA-N 0 0 306.409 1.557 10 0 DCAERN CN(C[C@@H]1CNC(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000368751358 416689707 /nfs/dbraw/zinc/68/97/07/416689707.db2.gz SJTPXKDYSFUSPJ-RDJZCZTQSA-N 0 0 319.405 0.664 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CC2(C)C)sc1S(N)(=O)=O ZINC000442277362 416690456 /nfs/dbraw/zinc/69/04/56/416690456.db2.gz RPUTUXZEEARLAC-MRVPVSSYSA-N 0 0 304.393 0.932 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)C1 ZINC000368794792 416693703 /nfs/dbraw/zinc/69/37/03/416693703.db2.gz KVZMDMYIGVJAOW-OCCSQVGLSA-N 0 0 321.421 0.620 10 0 DCAERN O=Cc1cccc(OCC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368826572 416695434 /nfs/dbraw/zinc/69/54/34/416695434.db2.gz RPBJXHAJBYWATI-AWEZNQCLSA-N 0 0 304.346 0.421 10 0 DCAERN O=C(Nc1cc2ccccn2n1)N1CCN2CCOC[C@H]2C1 ZINC000554414222 416705919 /nfs/dbraw/zinc/70/59/19/416705919.db2.gz WJKHLUIPFHVCJU-CYBMUJFWSA-N 0 0 301.350 0.883 10 0 DCAERN C[S@](=O)C1(CNC(=O)N2CCSC[C@H]2CCO)CC1 ZINC000442713420 416707624 /nfs/dbraw/zinc/70/76/24/416707624.db2.gz WPIPQEIKBHJPRQ-DGIBIBHMSA-N 0 0 306.453 0.407 10 0 DCAERN Cc1cc(NCCN2CCN(C(=O)C3CCC3)CC2)nc(C)n1 ZINC000556664130 416713990 /nfs/dbraw/zinc/71/39/90/416713990.db2.gz KLHRXORLCMPMCL-UHFFFAOYSA-N 0 0 317.437 1.450 10 0 DCAERN Cc1nnc2c(NC[C@H]3CCC4(CCOCC4)[C@@H]3O)nccn12 ZINC000556969361 416721970 /nfs/dbraw/zinc/72/19/70/416721970.db2.gz DNADOQXNYBMOPQ-CHWSQXEVSA-N 0 0 317.393 1.412 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1C ZINC000369115883 416726683 /nfs/dbraw/zinc/72/66/83/416726683.db2.gz KBWDMSMTDBXGJI-UEKVPHQBSA-N 0 0 311.382 0.448 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000614990183 416733404 /nfs/dbraw/zinc/73/34/04/416733404.db2.gz URBORDOFSCTTTB-LBPRGKRZSA-N 0 0 320.397 0.494 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000443339971 416754812 /nfs/dbraw/zinc/75/48/12/416754812.db2.gz DRFZHXUZIYDVDF-UHFFFAOYSA-N 0 0 317.349 0.106 10 0 DCAERN CCc1nc(C(C)(C)NS(=O)(=O)N(C)CCOC)no1 ZINC000443141402 416734328 /nfs/dbraw/zinc/73/43/28/416734328.db2.gz DDWNBKWPLPTQBY-UHFFFAOYSA-N 0 0 306.388 0.280 10 0 DCAERN CCn1cc([C@@H]2OCC[C@H]2NC(=O)C(=O)NCC2CC2)cn1 ZINC000623155368 416759791 /nfs/dbraw/zinc/75/97/91/416759791.db2.gz ZPDILMWMAVQYOW-OLZOCXBDSA-N 0 0 306.366 0.375 10 0 DCAERN CN1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000623230405 416772809 /nfs/dbraw/zinc/77/28/09/416772809.db2.gz XPBOMIRJQOFVPR-AWEZNQCLSA-N 0 0 319.409 0.975 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1Cc2cncn2C1 ZINC000623275237 416789788 /nfs/dbraw/zinc/78/97/88/416789788.db2.gz CZZUTKHRRZWFFX-DOTOQJQBSA-N 0 0 324.384 0.897 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@](C)(O)CC2)CC1=O ZINC000369623893 416805452 /nfs/dbraw/zinc/80/54/52/416805452.db2.gz UZNZIHVDQGPENP-NFFDBFGFSA-N 0 0 309.410 0.942 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cccnc1 ZINC000623365416 416811425 /nfs/dbraw/zinc/81/14/25/416811425.db2.gz XIPWEPVJCIXESJ-UHFFFAOYSA-N 0 0 306.366 0.830 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000369970029 416859787 /nfs/dbraw/zinc/85/97/87/416859787.db2.gz OFFJUKVCMYSQFA-NEPJUHHUSA-N 0 0 308.300 0.771 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)C2(O)CCSCC2)C1 ZINC000370090067 416881062 /nfs/dbraw/zinc/88/10/62/416881062.db2.gz DUJFNRFZOMDYDD-GFCCVEGCSA-N 0 0 324.450 0.763 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000370118013 416882946 /nfs/dbraw/zinc/88/29/46/416882946.db2.gz ZJLCESLEHQOOGG-CHWSQXEVSA-N 0 0 322.413 0.414 10 0 DCAERN COC1(CO)CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000445132382 416884840 /nfs/dbraw/zinc/88/48/40/416884840.db2.gz KANFDQJEFMQSFP-UHFFFAOYSA-N 0 0 311.386 1.038 10 0 DCAERN Cc1cc(NC(=O)C(=O)NCCOCC2CCC2)c(=O)n(C)c1 ZINC000519044939 416888523 /nfs/dbraw/zinc/88/85/23/416888523.db2.gz ADUNWXFSHZYTDY-UHFFFAOYSA-N 0 0 321.377 0.565 10 0 DCAERN Cc1ncc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)c(N)n1 ZINC000519263160 416897606 /nfs/dbraw/zinc/89/76/06/416897606.db2.gz BMWMKDNCTCLQDS-OAHLLOKOSA-N 0 0 306.366 0.777 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cnc(N(C)C)cn1 ZINC000615818272 416915197 /nfs/dbraw/zinc/91/51/97/416915197.db2.gz FEYUJQOFZBKRFY-MJVIPROJSA-N 0 0 318.377 0.956 10 0 DCAERN COc1ccc(F)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000446448469 416930751 /nfs/dbraw/zinc/93/07/51/416930751.db2.gz CDGCJTIORSJTIH-UHFFFAOYSA-N 0 0 309.253 0.193 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328890453 287339544 /nfs/dbraw/zinc/33/95/44/287339544.db2.gz RRLATVAYQNFAIN-AGIUHOORSA-N 0 0 308.382 0.920 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)[C@H]2C1 ZINC000624076249 416951762 /nfs/dbraw/zinc/95/17/62/416951762.db2.gz OIJJTGMWFSKQJB-PEDHHIEDSA-N 0 0 322.409 0.197 10 0 DCAERN c1nnn(Cc2ccccc2)c1CN1CCN2CCOC[C@H]2C1 ZINC000430066725 417017712 /nfs/dbraw/zinc/01/77/12/417017712.db2.gz ATQFFJBAUSKGLW-QGZVFWFLSA-N 0 0 313.405 0.843 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000624401721 417030010 /nfs/dbraw/zinc/03/00/10/417030010.db2.gz MXMUYVLLYUCVPP-DGCLKSJQSA-N 0 0 308.382 0.060 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000565456807 416980255 /nfs/dbraw/zinc/98/02/55/416980255.db2.gz BTWZKURLNLQKCG-GFCCVEGCSA-N 0 0 321.425 0.940 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000447382253 416993070 /nfs/dbraw/zinc/99/30/70/416993070.db2.gz OTYYUTDJRKPVRF-CBAPKCEASA-N 0 0 321.303 0.847 10 0 DCAERN CC1(c2cc(NC(=O)N3CCO[C@@H](C(N)=O)C3)no2)CCCC1 ZINC000565694586 417007792 /nfs/dbraw/zinc/00/77/92/417007792.db2.gz WVPKDEXBPMVHAF-SNVBAGLBSA-N 0 0 322.365 1.224 10 0 DCAERN COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000523119742 417077263 /nfs/dbraw/zinc/07/72/63/417077263.db2.gz MPIOSLLMPCWMMQ-MRXNPFEDSA-N 0 0 322.361 0.464 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616594659 417083804 /nfs/dbraw/zinc/08/38/04/417083804.db2.gz RVBINDPOTJRRCD-GFCCVEGCSA-N 0 0 308.363 0.597 10 0 DCAERN CC(=O)Nc1ccccc1[C@H]1CN(S(N)(=O)=O)CCCO1 ZINC000616598906 417084097 /nfs/dbraw/zinc/08/40/97/417084097.db2.gz VCICTSFWSAGXGK-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ncccn1 ZINC000616605190 417084123 /nfs/dbraw/zinc/08/41/23/417084123.db2.gz VRUQEJFKKHCQKT-ZDUSSCGKSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2cncc3ccccc32)C1 ZINC000616592532 417085241 /nfs/dbraw/zinc/08/52/41/417085241.db2.gz BMJZFNKXECGIAE-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616629722 417086736 /nfs/dbraw/zinc/08/67/36/417086736.db2.gz JAURAWDUXZUMAP-JTQLQIEISA-N 0 0 307.416 0.911 10 0 DCAERN CS(=O)(=O)N1CCOC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616642306 417087536 /nfs/dbraw/zinc/08/75/36/417087536.db2.gz HJBCFSVCULJGSS-LLVKDONJSA-N 0 0 305.377 0.078 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616664661 417090007 /nfs/dbraw/zinc/09/00/07/417090007.db2.gz YAUWKTBBUHOZDL-GFCCVEGCSA-N 0 0 308.363 0.249 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616658799 417090188 /nfs/dbraw/zinc/09/01/88/417090188.db2.gz KTNPJWFAFYSQME-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616662738 417090319 /nfs/dbraw/zinc/09/03/19/417090319.db2.gz KYNUQHDVCVJLMN-NSHDSACASA-N 0 0 308.363 0.249 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOC[C@@H](c2cnno2)C1 ZINC000616661965 417091353 /nfs/dbraw/zinc/09/13/53/417091353.db2.gz CCQLCWGKYYITQP-NSHDSACASA-N 0 0 309.347 0.874 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)c2ccnn2C)cc1 ZINC000568264128 417115609 /nfs/dbraw/zinc/11/56/09/417115609.db2.gz UZOLVAPWLIZNQL-ZDUSSCGKSA-N 0 0 323.374 0.635 10 0 DCAERN CC(C)c1noc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1 ZINC000431422228 417125338 /nfs/dbraw/zinc/12/53/38/417125338.db2.gz ZVYJPCWEOQIMLK-SECBINFHSA-N 0 0 305.342 0.725 10 0 DCAERN CC(=O)N(C)C1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000407990870 417131592 /nfs/dbraw/zinc/13/15/92/417131592.db2.gz QSRRWOFQOZIICI-CYBMUJFWSA-N 0 0 313.423 0.377 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)C12CCOCC2 ZINC000632518186 417140935 /nfs/dbraw/zinc/14/09/35/417140935.db2.gz ZHSHGRVDVMIVEZ-VXGBXAGGSA-N 0 0 309.366 0.830 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCN(C)C[C@H]1C)N1CCCS1(=O)=O ZINC000408078899 417141163 /nfs/dbraw/zinc/14/11/63/417141163.db2.gz FXCQUVTTZIHXRT-OLZOCXBDSA-N 0 0 317.455 0.209 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000408190428 417145079 /nfs/dbraw/zinc/14/50/79/417145079.db2.gz YQKACJUCARIUBQ-LLVKDONJSA-N 0 0 308.386 1.166 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H]1C ZINC000408190410 417146635 /nfs/dbraw/zinc/14/66/35/417146635.db2.gz YECJWAWUEBNMPG-RYUDHWBXSA-N 0 0 324.429 0.952 10 0 DCAERN C[C@@H]1CC[C@H]([N@H+](CCO)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000408209636 417148080 /nfs/dbraw/zinc/14/80/80/417148080.db2.gz VACBZZQDSNVBGI-OLZOCXBDSA-N 0 0 305.440 0.409 10 0 DCAERN COC(=O)C1(N(C)C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CCCC1 ZINC000408243611 417148317 /nfs/dbraw/zinc/14/83/17/417148317.db2.gz ISXIILBSFJNPAF-FRRDWIJNSA-N 0 0 311.378 0.982 10 0 DCAERN Cc1cc(N2CCC(NC(=O)NCc3ccn(C)n3)CC2)n[nH]1 ZINC000525879786 417158000 /nfs/dbraw/zinc/15/80/00/417158000.db2.gz SYLQXFHQSMMQAU-UHFFFAOYSA-N 0 0 317.397 0.920 10 0 DCAERN CC(=O)N1CCN(c2nccc(N[C@H]3CCCOC3)n2)CC1 ZINC000408404676 417159779 /nfs/dbraw/zinc/15/97/79/417159779.db2.gz PBYPVLLKTVYWQZ-ZDUSSCGKSA-N 0 0 305.382 0.736 10 0 DCAERN CC1(C)CC[C@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)O1 ZINC000568709039 417168033 /nfs/dbraw/zinc/16/80/33/417168033.db2.gz KQUPFEDWCGSHNY-CYBMUJFWSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)c1cn3cccnc3n1)CCO2 ZINC000527186312 417219464 /nfs/dbraw/zinc/21/94/64/417219464.db2.gz DXNHKJMAMKRTGB-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN Cc1nn(C)cc1CC(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000450510107 417232951 /nfs/dbraw/zinc/23/29/51/417232951.db2.gz FFDNLGBCGSVPHN-AWEZNQCLSA-N 0 0 316.336 0.942 10 0 DCAERN Cc1nc([C@](C)(NC(=O)CS(=O)(=O)N(C)C)C2CC2)no1 ZINC000569495955 417261120 /nfs/dbraw/zinc/26/11/20/417261120.db2.gz BYFCEHCFHINXDR-GFCCVEGCSA-N 0 0 316.383 0.011 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)NCC(F)(F)F)CC12COC2 ZINC000451131900 417301621 /nfs/dbraw/zinc/30/16/21/417301621.db2.gz HSXAZULNBVMKOI-VIFPVBQESA-N 0 0 324.299 0.176 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2oncc2C(=O)OC)CC12COC2 ZINC000451138578 417304957 /nfs/dbraw/zinc/30/49/57/417304957.db2.gz QNYBGPFWRVGPHE-LLVKDONJSA-N 0 0 324.333 0.473 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2nc(CC)cc(=O)[nH]2)CC12COC2 ZINC000451141681 417306088 /nfs/dbraw/zinc/30/60/88/417306088.db2.gz VRVWIBOREWBXRC-LBPRGKRZSA-N 0 0 321.377 0.756 10 0 DCAERN Cc1nnc(N2CCC[C@H]2C(=O)N(C)C)n1C[C@H]1CCCO1 ZINC000528347764 417328016 /nfs/dbraw/zinc/32/80/16/417328016.db2.gz DCTDSUAGZZFSTO-OLZOCXBDSA-N 0 0 307.398 0.823 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000451891354 417412828 /nfs/dbraw/zinc/41/28/28/417412828.db2.gz OIIHWHACJIEYBW-NWDGAFQWSA-N 0 0 324.468 0.615 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCC2CC2)CC12COC2 ZINC000451621178 417365495 /nfs/dbraw/zinc/36/54/95/417365495.db2.gz VBYIJRVPAIPZTP-LBPRGKRZSA-N 0 0 317.407 0.628 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c1C ZINC000528634664 417370043 /nfs/dbraw/zinc/37/00/43/417370043.db2.gz NERHXIFHWHRXMV-JLLWLGSASA-N 0 0 321.377 0.326 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)C[C@@H]2CCCCO2)CC12COC2 ZINC000452267495 417464824 /nfs/dbraw/zinc/46/48/24/417464824.db2.gz VOCGRWXMSPRLAB-QWHCGFSZSA-N 0 0 311.378 0.984 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000633641678 417470098 /nfs/dbraw/zinc/47/00/98/417470098.db2.gz OSDLCSMWSRUORB-CHWSQXEVSA-N 0 0 310.398 0.212 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1c2ccccc2C(=O)N1C ZINC000633688303 417478470 /nfs/dbraw/zinc/47/84/70/417478470.db2.gz RYKLPQIATQPVNE-GJZGRUSLSA-N 0 0 315.373 0.940 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000633685093 417479013 /nfs/dbraw/zinc/47/90/13/417479013.db2.gz DDUHTGPCQAURHK-ZIAGYGMSSA-N 0 0 301.346 0.677 10 0 DCAERN CC(=O)CCC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000623041015 417532219 /nfs/dbraw/zinc/53/22/19/417532219.db2.gz VDZBBBJFDGOZJF-UHFFFAOYSA-N 0 0 321.352 0.942 10 0 DCAERN CC[C@](C)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)OC ZINC000452743530 417499997 /nfs/dbraw/zinc/49/99/97/417499997.db2.gz USWRDWJEVXRSKY-MRXNPFEDSA-N 0 0 320.393 0.563 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000633867352 417501946 /nfs/dbraw/zinc/50/19/46/417501946.db2.gz LWHMCHLSRFMWJU-AAVRWANBSA-N 0 0 322.405 0.924 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](CC)OC)CC12COC2 ZINC000454971784 417587300 /nfs/dbraw/zinc/58/73/00/417587300.db2.gz AKHKXMALZRGYAU-VXGBXAGGSA-N 0 0 314.382 0.633 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)C2(N3CCOCC3)CCC2)C1 ZINC000530302732 417565143 /nfs/dbraw/zinc/56/51/43/417565143.db2.gz YSEYSLHXXNZRGH-HNNXBMFYSA-N 0 0 323.437 0.616 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCCn2cccc2)CC12COC2 ZINC000454633847 417571912 /nfs/dbraw/zinc/57/19/12/417571912.db2.gz FKQPQYGVYJAXLS-CYBMUJFWSA-N 0 0 321.377 0.709 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)[C@H](OC)C2CC2)C1 ZINC000454686498 417576306 /nfs/dbraw/zinc/57/63/06/417576306.db2.gz UCHYIZOMUXZYRA-DRZSPHRISA-N 0 0 312.414 0.903 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(CC)OC)C1 ZINC000454691849 417576384 /nfs/dbraw/zinc/57/63/84/417576384.db2.gz ZXUFAULQBYCMKK-SMDDNHRTSA-N 0 0 300.403 0.905 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000530460919 417576655 /nfs/dbraw/zinc/57/66/55/417576655.db2.gz MJIPMYHHSDFWGX-QJPTWQEYSA-N 0 0 319.427 0.135 10 0 DCAERN COC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440049096 287392957 /nfs/dbraw/zinc/39/29/57/287392957.db2.gz IOPMXAVGPDCGJU-UHFFFAOYSA-N 0 0 319.361 0.903 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000531610040 417629864 /nfs/dbraw/zinc/62/98/64/417629864.db2.gz KEDSUESXHVDMAJ-GFCCVEGCSA-N 0 0 316.365 0.502 10 0 DCAERN COC(=O)C1(NC(=O)Cn2ncc3ccccc32)CCOCC1 ZINC000456390241 417647382 /nfs/dbraw/zinc/64/73/82/417647382.db2.gz YNHQUJZTPLOSPQ-UHFFFAOYSA-N 0 0 317.345 0.875 10 0 DCAERN COC(=O)c1cnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nc1 ZINC000576950050 417650702 /nfs/dbraw/zinc/65/07/02/417650702.db2.gz BONCSUZRBUDHLE-YPMHNXCESA-N 0 0 306.366 0.420 10 0 DCAERN CO[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C)C1CC1 ZINC000628575010 417655014 /nfs/dbraw/zinc/65/50/14/417655014.db2.gz FKKXRZYGWUUVBV-XJKSGUPXSA-N 0 0 312.410 0.143 10 0 DCAERN CO[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)N1C)C1CC1 ZINC000628575007 417656339 /nfs/dbraw/zinc/65/63/39/417656339.db2.gz FKKXRZYGWUUVBV-BBRMVZONSA-N 0 0 312.410 0.143 10 0 DCAERN CC(C)OC(=O)[C@H](C)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000456615806 417656930 /nfs/dbraw/zinc/65/69/30/417656930.db2.gz OETSTNIRMORMOV-NHYWBVRUSA-N 0 0 310.350 0.056 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)[C@@H](C)C1 ZINC000532170778 417665563 /nfs/dbraw/zinc/66/55/63/417665563.db2.gz SJBBZQLIRRSRLU-JSGCOSHPSA-N 0 0 309.410 0.570 10 0 DCAERN O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000532268049 417669209 /nfs/dbraw/zinc/66/92/09/417669209.db2.gz PYBJWSVQTVWRIB-AJNGGQMLSA-N 0 0 317.451 0.749 10 0 DCAERN CCO[C@@H]1CCC[C@H]1NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000456976101 417672863 /nfs/dbraw/zinc/67/28/63/417672863.db2.gz IOIGRUGNSPXCCQ-IOASZLSFSA-N 0 0 308.378 0.673 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)CSc2nncs2)C1 ZINC000532374514 417675726 /nfs/dbraw/zinc/67/57/26/417675726.db2.gz HBYHWOXGOOJCFG-QMMMGPOBSA-N 0 0 315.424 0.550 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCN[C@@H](c3ccccc3)C2)nn1 ZINC000456993370 417676313 /nfs/dbraw/zinc/67/63/13/417676313.db2.gz NKFFHFYIRQDVGG-OAHLLOKOSA-N 0 0 313.361 0.654 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cn1 ZINC000577381057 417679094 /nfs/dbraw/zinc/67/90/94/417679094.db2.gz PQCVBLREUZSPPS-LLVKDONJSA-N 0 0 316.365 0.577 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)cn1 ZINC000629231214 417763300 /nfs/dbraw/zinc/76/33/00/417763300.db2.gz REEAKUWQWYCMAM-WPRPVWTQSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1nscc1Br ZINC000629239621 417766280 /nfs/dbraw/zinc/76/62/80/417766280.db2.gz OVPDBLHWGNULLJ-RQJHMYQMSA-N 0 0 307.169 0.785 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC12COC2 ZINC000457826468 417709601 /nfs/dbraw/zinc/70/96/01/417709601.db2.gz WMZYJRWBSXKUJC-LOWDOPEQSA-N 0 0 321.373 0.640 10 0 DCAERN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000580598473 417718051 /nfs/dbraw/zinc/71/80/51/417718051.db2.gz ZJWIDSHGWCQTKV-IOASZLSFSA-N 0 0 310.394 0.699 10 0 DCAERN CCOc1ccc(CCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458140416 417725555 /nfs/dbraw/zinc/72/55/55/417725555.db2.gz NJVKNIYLIKLCGO-CQSZACIVSA-N 0 0 318.377 0.787 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCC(C)(C)C(=O)N1CCCC1)C(C)C ZINC000629062529 417740891 /nfs/dbraw/zinc/74/08/91/417740891.db2.gz QLMKNPIDZOISOG-CYBMUJFWSA-N 0 0 311.426 0.912 10 0 DCAERN Cc1nn(CC(=O)N2CC[C@H](Oc3cccnc3)C2)c(=O)o1 ZINC000639962052 417771572 /nfs/dbraw/zinc/77/15/72/417771572.db2.gz GBYXTPARPTYHQB-LBPRGKRZSA-N 0 0 304.306 0.220 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000179240605 545897552 /nfs/dbraw/zinc/89/75/52/545897552.db2.gz JJYDLIWYKGNENU-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000467114155 287515144 /nfs/dbraw/zinc/51/51/44/287515144.db2.gz NRZNNGSSUXZEGM-SRVKXCTJSA-N 0 0 314.407 0.893 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000460077824 287513450 /nfs/dbraw/zinc/51/34/50/287513450.db2.gz QRRJTCHTYAVNRX-CXAGYDPISA-N 0 0 321.421 0.764 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2C)oc1C ZINC000487401406 287536222 /nfs/dbraw/zinc/53/62/22/287536222.db2.gz FAJLOULAZKVUOE-WPRPVWTQSA-N 0 0 317.363 0.766 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCOC(C)C ZINC000488278089 287548177 /nfs/dbraw/zinc/54/81/77/287548177.db2.gz IIOHKIJYHKYZJX-GHMZBOCLSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(C(C)C)c1 ZINC000488292427 287548374 /nfs/dbraw/zinc/54/83/74/287548374.db2.gz IRHORBPSBOYCIN-MNOVXSKESA-N 0 0 324.381 0.650 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nncn2C)C1 ZINC000245575214 299847055 /nfs/dbraw/zinc/84/70/55/299847055.db2.gz HOOOXXKMIFPVHR-RYUDHWBXSA-N 0 0 313.427 0.929 10 0 DCAERN NC(=O)COc1ccc(C(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000494926747 287582001 /nfs/dbraw/zinc/58/20/01/287582001.db2.gz ZCCRIAMJJVJOMA-LBPRGKRZSA-N 0 0 324.402 0.491 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1C(F)(F)F ZINC000299742902 229379866 /nfs/dbraw/zinc/37/98/66/229379866.db2.gz JGRGPYCUDSNTKF-HTQZYQBOSA-N 0 0 305.231 0.957 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cn[nH]c1 ZINC000229963521 545947116 /nfs/dbraw/zinc/94/71/16/545947116.db2.gz RAFAYBUICHBMMW-KOLCDFICSA-N 0 0 300.384 0.401 10 0 DCAERN Cc1nc(C)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000074675570 261106083 /nfs/dbraw/zinc/10/60/83/261106083.db2.gz RLQWMLSTWUMIFG-UHFFFAOYSA-N 0 0 309.347 0.869 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105921694 261107975 /nfs/dbraw/zinc/10/79/75/261107975.db2.gz ZCAFPDCXIVFBRG-OAHLLOKOSA-N 0 0 324.425 0.353 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(C(=O)N[C@H]3CCOC3)CC2)n1 ZINC000179171767 261111906 /nfs/dbraw/zinc/11/19/06/261111906.db2.gz QGGRSVRDWCTDKV-NEPJUHHUSA-N 0 0 323.397 0.809 10 0 DCAERN CNC(=O)[C@@H](NCc1noc(CCCC(=O)OC)n1)C(C)C ZINC000183664505 261116481 /nfs/dbraw/zinc/11/64/81/261116481.db2.gz MDJWWKIXZZXHJU-ZDUSSCGKSA-N 0 0 312.370 0.426 10 0 DCAERN CC/C=C/CCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000184418043 261118680 /nfs/dbraw/zinc/11/86/80/261118680.db2.gz PRAPJABVDKEDDJ-ONEGZZNKSA-N 0 0 317.455 0.537 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)[C@@H](C)COC)CC[S@@]1=O ZINC000184305508 261118710 /nfs/dbraw/zinc/11/87/10/261118710.db2.gz YZMWHKWIRODPLR-VOJFVSQTSA-N 0 0 311.469 0.974 10 0 DCAERN CCC1(CC)CN([C@@H](C)C(=O)NCC(=O)OC)CC[S@]1=O ZINC000185235818 261119485 /nfs/dbraw/zinc/11/94/85/261119485.db2.gz ZXYUJLMMCQRFHK-WIUDPPPLSA-N 0 0 318.439 0.287 10 0 DCAERN CCC1(CC)CN(CC(=O)NCCC(=O)OC)CC[S@@]1=O ZINC000185247665 261119596 /nfs/dbraw/zinc/11/95/96/261119596.db2.gz LJAUMRDTZDXHMG-NRFANRHFSA-N 0 0 318.439 0.289 10 0 DCAERN CCC1(CC)CN(CC(=O)NCCC(=O)OC)CC[S@]1=O ZINC000185247683 261119864 /nfs/dbraw/zinc/11/98/64/261119864.db2.gz LJAUMRDTZDXHMG-OAQYLSRUSA-N 0 0 318.439 0.289 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cc(C(N)=O)co1 ZINC000186613407 261121405 /nfs/dbraw/zinc/12/14/05/261121405.db2.gz DXSCVZJFUSTWNJ-MRVPVSSYSA-N 0 0 321.358 0.875 10 0 DCAERN CNC(=O)c1ccc(NC(=O)c2cc3c(cn2)nc[nH]c3=O)cc1 ZINC000186174721 261121436 /nfs/dbraw/zinc/12/14/36/261121436.db2.gz ASCKIWSMWUTOQA-UHFFFAOYSA-N 0 0 323.312 0.930 10 0 DCAERN NC(=O)c1coc(CNC(=O)CCNC(=O)c2ccsc2)c1 ZINC000186690167 261121934 /nfs/dbraw/zinc/12/19/34/261121934.db2.gz HLQOPNNTXXCJPO-UHFFFAOYSA-N 0 0 321.358 0.876 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(C(N)=O)co1 ZINC000188253282 261126176 /nfs/dbraw/zinc/12/61/76/261126176.db2.gz PRSDHRATJZUTHO-UHFFFAOYSA-N 0 0 312.351 0.207 10 0 DCAERN Cc1noc([C@@H](C)N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189189393 261130652 /nfs/dbraw/zinc/13/06/52/261130652.db2.gz FUXGUTBGSXZOKJ-NXEZZACHSA-N 0 0 306.374 0.341 10 0 DCAERN Cc1cc(COCC(=O)N[C@H](C)C(=O)NCc2ccco2)on1 ZINC000193521237 261142358 /nfs/dbraw/zinc/14/23/58/261142358.db2.gz NKNGONAPDLWZSQ-LLVKDONJSA-N 0 0 321.333 0.914 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000194292353 261146008 /nfs/dbraw/zinc/14/60/08/261146008.db2.gz FTCXSHARHWLCGL-VIFPVBQESA-N 0 0 324.410 0.355 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000194242867 261146138 /nfs/dbraw/zinc/14/61/38/261146138.db2.gz LHUCMWANQGAQLC-GZMMTYOYSA-N 0 0 317.349 0.231 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000194633482 261146787 /nfs/dbraw/zinc/14/67/87/261146787.db2.gz BAFNZIIUSXLBRI-MELADBBJSA-N 0 0 321.421 0.762 10 0 DCAERN O=C(Nc1cccc(Cn2cccnc2=O)c1)[C@@H]1CNC(=O)C1 ZINC000194813696 261148145 /nfs/dbraw/zinc/14/81/45/261148145.db2.gz FOAIOEPURKWGKG-LBPRGKRZSA-N 0 0 312.329 0.366 10 0 DCAERN CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CNC(=O)C1 ZINC000194770394 261148856 /nfs/dbraw/zinc/14/88/56/261148856.db2.gz QVOMUTQVCDZNFI-NEPJUHHUSA-N 0 0 304.346 0.811 10 0 DCAERN CCC(CC)[C@H](CNC(=O)[C@H]1CNC(=O)C1)N1CCOCC1 ZINC000194867488 261149473 /nfs/dbraw/zinc/14/94/73/261149473.db2.gz MGXCAMIPGJZBBY-KGLIPLIRSA-N 0 0 311.426 0.376 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000194891701 261149563 /nfs/dbraw/zinc/14/95/63/261149563.db2.gz XZHPMDPZAKZAJY-ZIAGYGMSSA-N 0 0 323.441 0.848 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CCOC[C@@H]3C)CC2)ncn1 ZINC000194878234 261149707 /nfs/dbraw/zinc/14/97/07/261149707.db2.gz LAQJEQVKQUBLBQ-STQMWFEESA-N 0 0 320.393 0.806 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000316855140 261175251 /nfs/dbraw/zinc/17/52/51/261175251.db2.gz IDSIFYFXFLRQLM-UBHSHLNASA-N 0 0 324.402 0.901 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC([C@@H](C)O)CC3)nc2n1 ZINC000318487081 261176433 /nfs/dbraw/zinc/17/64/33/261176433.db2.gz CHDUPVHLFQGRGU-LLVKDONJSA-N 0 0 303.366 0.974 10 0 DCAERN Cn1cnnc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000354388480 261212464 /nfs/dbraw/zinc/21/24/64/261212464.db2.gz NGMAKCSJWSJFHP-UHFFFAOYSA-N 0 0 318.728 0.374 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)NC[C@](C)(O)CO)cc1 ZINC000355294938 261327045 /nfs/dbraw/zinc/32/70/45/261327045.db2.gz XRJIGYSIPNCEEM-INIZCTEOSA-N 0 0 309.362 0.447 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCOC(C)(C)[C@H]2C)C1 ZINC000357834414 261590704 /nfs/dbraw/zinc/59/07/04/261590704.db2.gz LACOFOSUDPDQKD-NEPJUHHUSA-N 0 0 312.414 0.999 10 0 DCAERN CCOCCOC[C@@H](O)CNC(=O)NCc1cnc(C)s1 ZINC000358579133 261684739 /nfs/dbraw/zinc/68/47/39/261684739.db2.gz KPEHRMQKWQFIEP-NSHDSACASA-N 0 0 317.411 0.665 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](CO)C1CC1)CC2 ZINC000358817908 261703134 /nfs/dbraw/zinc/70/31/34/261703134.db2.gz GNUFTNQNLDBLNE-VXGBXAGGSA-N 0 0 323.397 0.057 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)C(N)=O ZINC000359162499 261724789 /nfs/dbraw/zinc/72/47/89/261724789.db2.gz PMUDVWCCKGQTFN-RVMXOQNASA-N 0 0 317.393 0.604 10 0 DCAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H](CO)C1CC1 ZINC000359822799 261772536 /nfs/dbraw/zinc/77/25/36/261772536.db2.gz NTXLBKJLDGWQNY-UONOGXRCSA-N 0 0 305.378 0.401 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NC[C@]2(OC)CCOC2)C1 ZINC000360466645 261835088 /nfs/dbraw/zinc/83/50/88/261835088.db2.gz HUKBWNHAMHVXCX-SWLSCSKDSA-N 0 0 313.398 0.492 10 0 DCAERN CN(Cc1nnnn1C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000360941570 261888698 /nfs/dbraw/zinc/88/86/98/261888698.db2.gz PZOGFYWVOCKZBY-LBPRGKRZSA-N 0 0 304.329 0.587 10 0 DCAERN Cc1cc(Cl)cnc1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000361769784 261959585 /nfs/dbraw/zinc/95/95/85/261959585.db2.gz CIXLDVNJOUYJNS-UHFFFAOYSA-N 0 0 323.744 0.164 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1(CO)CCC1 ZINC000361838283 261966452 /nfs/dbraw/zinc/96/64/52/261966452.db2.gz SBIBCGKRTBKQRA-UHFFFAOYSA-N 0 0 308.382 0.761 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000361890357 261973418 /nfs/dbraw/zinc/97/34/18/261973418.db2.gz FBWDISPJSBSIBC-UHFFFAOYSA-N 0 0 304.354 0.532 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000362198961 262008343 /nfs/dbraw/zinc/00/83/43/262008343.db2.gz GHPKDSQKBOGWQQ-WDNDVIMCSA-N 0 0 317.345 0.369 10 0 DCAERN CCN(C(=O)CN1CCOCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000362232768 262013315 /nfs/dbraw/zinc/01/33/15/262013315.db2.gz CTKLWRHCWGGJGC-OLZOCXBDSA-N 0 0 318.439 0.133 10 0 DCAERN NC(=O)c1n[nH]nc1NC(=O)c1csc(Br)c1 ZINC000362418813 262032831 /nfs/dbraw/zinc/03/28/31/262032831.db2.gz AWVPIGFCJFPJCO-UHFFFAOYSA-N 0 0 316.140 0.980 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000362422127 262033908 /nfs/dbraw/zinc/03/39/08/262033908.db2.gz JOWASZDSIHVRLE-MRXNPFEDSA-N 0 0 305.330 0.398 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)Cn1nc(C)cc1C ZINC000362461757 262037592 /nfs/dbraw/zinc/03/75/92/262037592.db2.gz YECAJIALIJENIN-KBPBESRZSA-N 0 0 311.382 0.437 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncc(Cl)cn1 ZINC000362658233 262057560 /nfs/dbraw/zinc/05/75/60/262057560.db2.gz QROBXRAJRNVWAK-SFYZADRCSA-N 0 0 300.746 0.998 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CCCO3)CCO1 ZINC000363189030 262104302 /nfs/dbraw/zinc/10/43/02/262104302.db2.gz WLXYGBPLETXZSP-CYBMUJFWSA-N 0 0 305.334 0.730 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C)c1nnc2n1CCCCC2 ZINC000363392024 262113799 /nfs/dbraw/zinc/11/37/99/262113799.db2.gz BTOGVOKXJNTERB-GHMZBOCLSA-N 0 0 320.397 0.595 10 0 DCAERN O=C(Nc1cccc(Cl)c1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000363791825 262130386 /nfs/dbraw/zinc/13/03/86/262130386.db2.gz DTBHYYQUZKNUIO-ZDUSSCGKSA-N 0 0 323.780 0.822 10 0 DCAERN Cc1nn(CC(=O)N2CCN3CCOC[C@@H]3C2)c(C)c1Cl ZINC000363828337 262133146 /nfs/dbraw/zinc/13/31/46/262133146.db2.gz VTDGCGUQSHEMLW-LBPRGKRZSA-N 0 0 312.801 0.696 10 0 DCAERN Cn1nc(CC(=O)N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2c1=O ZINC000371104010 262156100 /nfs/dbraw/zinc/15/61/00/262156100.db2.gz KSPPWRRPYZRFMC-TXEJJXNPSA-N 0 0 313.357 0.866 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC000412931796 262197241 /nfs/dbraw/zinc/19/72/41/262197241.db2.gz UOGMDIIXMKMRHP-IUODEOHRSA-N 0 0 307.346 0.876 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)OCC ZINC000358388671 271051693 /nfs/dbraw/zinc/05/16/93/271051693.db2.gz MURYUYCOVZJYAM-UHOOHFNOSA-N 0 0 317.407 0.968 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCCCCCS(C)(=O)=O ZINC000358548711 271057682 /nfs/dbraw/zinc/05/76/82/271057682.db2.gz WRBJTEHBQKUQNZ-LLVKDONJSA-N 0 0 312.457 0.520 10 0 DCAERN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C ZINC000358770393 271070255 /nfs/dbraw/zinc/07/02/55/271070255.db2.gz IXBCIVRIHFMYBC-TUAOUCFPSA-N 0 0 300.399 0.536 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@H](CO)C1CC1 ZINC000358883025 271078545 /nfs/dbraw/zinc/07/85/45/271078545.db2.gz MBQIOVMHEVKOQD-CYBMUJFWSA-N 0 0 317.393 0.980 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000359012764 271089444 /nfs/dbraw/zinc/08/94/44/271089444.db2.gz YFTKVUXRLJPHQJ-GFCCVEGCSA-N 0 0 322.390 0.939 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@H]2CCSC2)n1 ZINC000359230408 271107775 /nfs/dbraw/zinc/10/77/75/271107775.db2.gz IFCYQGAQJVWUEN-LLVKDONJSA-N 0 0 323.418 0.618 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cn(CCOC)nc2C)C1 ZINC000359962996 271152238 /nfs/dbraw/zinc/15/22/38/271152238.db2.gz HYJAPNXHIRDLGN-GFCCVEGCSA-N 0 0 323.397 0.372 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)NC1(CCO)CCCCC1 ZINC000360905552 271165188 /nfs/dbraw/zinc/16/51/88/271165188.db2.gz FMUDSIYPCMCCFT-UHFFFAOYSA-N 0 0 321.443 0.262 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CCO1 ZINC000363601517 271197297 /nfs/dbraw/zinc/19/72/97/271197297.db2.gz XWGZFZCCBHODLV-QNWHQSFQSA-N 0 0 311.382 0.053 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000398556156 271219290 /nfs/dbraw/zinc/21/92/90/271219290.db2.gz PLTOXPZCKBXIKM-ZDUSSCGKSA-N 0 0 306.428 0.181 10 0 DCAERN C[C@@H]1OCC[C@@]1(O)CNC(=O)NCc1ccccc1OCCO ZINC000434400483 271526028 /nfs/dbraw/zinc/52/60/28/271526028.db2.gz VMJZNUKTALYAKC-BLLLJJGKSA-N 0 0 324.377 0.397 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)n1 ZINC000439473124 271637854 /nfs/dbraw/zinc/63/78/54/271637854.db2.gz VHPMCYFQRRUKFS-QWHCGFSZSA-N 0 0 308.382 0.573 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N(C)CCCO)cc1C ZINC000443103006 271699734 /nfs/dbraw/zinc/69/97/34/271699734.db2.gz NYBFJUOXIYYQTF-UHFFFAOYSA-N 0 0 301.364 0.785 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000443350088 271708839 /nfs/dbraw/zinc/70/88/39/271708839.db2.gz ZNJBVTFLAOFVMD-UHFFFAOYSA-N 0 0 310.398 0.788 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCN(c3ccccc3)CC2)nn1 ZINC000448558157 271826361 /nfs/dbraw/zinc/82/63/61/271826361.db2.gz MKFJCKSDLWQGQJ-UHFFFAOYSA-N 0 0 313.361 0.830 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)c1sccc1Cl ZINC000451322409 271894373 /nfs/dbraw/zinc/89/43/73/271894373.db2.gz UBHKRHCNTBRAMF-UHFFFAOYSA-N 0 0 307.788 0.746 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cnn(C)c2C)CC12COC2 ZINC000452231718 271911745 /nfs/dbraw/zinc/91/17/45/271911745.db2.gz ZYMISKFFIORHAJ-CYBMUJFWSA-N 0 0 321.377 0.309 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H](C)C2)CC12COC2 ZINC000452269906 271912957 /nfs/dbraw/zinc/91/29/57/271912957.db2.gz YHVDZJADMAEXGX-XQQFMLRXSA-N 0 0 311.378 0.840 10 0 DCAERN CCc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458131755 271943366 /nfs/dbraw/zinc/94/33/66/271943366.db2.gz RENLWJSFJZUHTL-CYBMUJFWSA-N 0 0 304.350 0.397 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(C)CCO)C[C@H](c2ccccc2)O1 ZINC000459808980 272011309 /nfs/dbraw/zinc/01/13/09/272011309.db2.gz HFYYZXBBRAADQH-GXTWGEPZSA-N 0 0 306.362 0.426 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)C1 ZINC000459843214 272015533 /nfs/dbraw/zinc/01/55/33/272015533.db2.gz XNASMSDLULOLOM-IIYDPXPESA-N 0 0 321.421 0.620 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CC[C@H](OC)C2)ccc1OCC(N)=O ZINC000471668098 272028260 /nfs/dbraw/zinc/02/82/60/272028260.db2.gz INASFMOLZNJJSE-NEPJUHHUSA-N 0 0 322.361 0.857 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CC[C@@H](OC)C2)C1=O ZINC000471675197 272029528 /nfs/dbraw/zinc/02/95/28/272029528.db2.gz BHFUBSZBIKZAHW-GHMZBOCLSA-N 0 0 311.382 0.781 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(CC)ccn1 ZINC000487114656 272038242 /nfs/dbraw/zinc/03/82/42/272038242.db2.gz QCTNTUZFDGMQSO-GHMZBOCLSA-N 0 0 321.377 0.830 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1nc(C)cc1C ZINC000487165893 272038640 /nfs/dbraw/zinc/03/86/40/272038640.db2.gz ZMWSKTAMSROCGO-NEPJUHHUSA-N 0 0 324.381 0.072 10 0 DCAERN COCCOCCNC(=O)NCCCc1nnc2ccccn21 ZINC000489261476 272059369 /nfs/dbraw/zinc/05/93/69/272059369.db2.gz HGFJQGLZMUXNRC-UHFFFAOYSA-N 0 0 321.381 0.624 10 0 DCAERN Cn1cnnc1CNC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489555916 272064011 /nfs/dbraw/zinc/06/40/11/272064011.db2.gz VHTQAJVFPVICDS-UHFFFAOYSA-N 0 0 312.333 0.989 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC(C)(C)C ZINC000494404393 272220443 /nfs/dbraw/zinc/22/04/43/272220443.db2.gz KHFIESOUWYGNGL-NXEZZACHSA-N 0 0 301.387 0.788 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494449047 272222281 /nfs/dbraw/zinc/22/22/81/272222281.db2.gz XQGDNCNOXPSQJG-CHWSQXEVSA-N 0 0 313.442 0.859 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCCCSC ZINC000495204108 272240921 /nfs/dbraw/zinc/24/09/21/272240921.db2.gz UEBZICMVJHCUKP-ZJUUUORDSA-N 0 0 319.427 0.495 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccccc1OCCO ZINC000495232678 272242163 /nfs/dbraw/zinc/24/21/63/272242163.db2.gz SZDUWNALBPXTSM-TZMCWYRMSA-N 0 0 308.378 0.970 10 0 DCAERN COC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000522111260 272545959 /nfs/dbraw/zinc/54/59/59/272545959.db2.gz VJSXPMUMCKSJHI-XJKSGUPXSA-N 0 0 321.377 0.489 10 0 DCAERN COC(=O)C[C@H]1CSCCN1C(=O)c1cn2cccnc2n1 ZINC000524871419 272569783 /nfs/dbraw/zinc/56/97/83/272569783.db2.gz XSGXYMBWGCNUSE-JTQLQIEISA-N 0 0 320.374 0.850 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3ncnn32)C[C@]2(CCOC2)O1 ZINC000527026834 272598729 /nfs/dbraw/zinc/59/87/29/272598729.db2.gz HBSPZCSHHUZECV-NHYWBVRUSA-N 0 0 302.334 0.749 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@H](C)C1 ZINC000528839196 272663023 /nfs/dbraw/zinc/66/30/23/272663023.db2.gz HTRLNGHOQPGOBW-SECBINFHSA-N 0 0 300.309 0.900 10 0 DCAERN CN(Cc1nnnn1C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000532646145 272791020 /nfs/dbraw/zinc/79/10/20/272791020.db2.gz XDWWXIRTQZIGCB-UHFFFAOYSA-N 0 0 319.756 0.503 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccnc(-n2cncn2)c1 ZINC000065529874 287671014 /nfs/dbraw/zinc/67/10/14/287671014.db2.gz ZJDCGLHJBFPNOI-ZYHUDNBSSA-N 0 0 314.349 0.388 10 0 DCAERN CC1(C)CN(C(=O)NCCn2cccn2)C[C@@]2(CCOC2)O1 ZINC000527515210 287695638 /nfs/dbraw/zinc/69/56/38/287695638.db2.gz XOEHIYQKGZPKPS-OAHLLOKOSA-N 0 0 308.382 0.863 10 0 DCAERN CN(CC(=O)N1CCSc2ccccc21)Cc1nnnn1C ZINC000531562591 287781792 /nfs/dbraw/zinc/78/17/92/287781792.db2.gz UFDONZWUNAMRBV-UHFFFAOYSA-N 0 0 318.406 0.781 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)o1 ZINC000533469995 287789367 /nfs/dbraw/zinc/78/93/67/287789367.db2.gz YIPFWGNRUBINNE-SSDOTTSWSA-N 0 0 305.256 0.745 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000535709817 287837389 /nfs/dbraw/zinc/83/73/89/287837389.db2.gz PRBULGLQEGSXBS-NSHDSACASA-N 0 0 317.324 0.894 10 0 DCAERN CC1(C)CN(C(=O)c2cn3ccccc3n2)CCS1(=O)=O ZINC000268319437 276130269 /nfs/dbraw/zinc/13/02/69/276130269.db2.gz BMOGZWINIYACTD-UHFFFAOYSA-N 0 0 307.375 0.984 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000172766185 276980333 /nfs/dbraw/zinc/98/03/33/276980333.db2.gz PHQPNFNROLRITD-GJZGRUSLSA-N 0 0 309.410 0.178 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)C ZINC000541828498 287927276 /nfs/dbraw/zinc/92/72/76/287927276.db2.gz SAMCYUZAMHUJQS-NSHDSACASA-N 0 0 308.400 0.225 10 0 DCAERN O=C(CNC(=O)C1CCCCC1)N1CCN2CCOC[C@H]2C1 ZINC000542684836 287944543 /nfs/dbraw/zinc/94/45/43/287944543.db2.gz GMIKOMBKKQNRQN-CQSZACIVSA-N 0 0 309.410 0.226 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@@H]1O ZINC000408394130 277233764 /nfs/dbraw/zinc/23/37/64/277233764.db2.gz HXJBFRBNCRPNQM-NEPJUHHUSA-N 0 0 318.439 0.566 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1O ZINC000408394136 277233800 /nfs/dbraw/zinc/23/38/00/277233800.db2.gz HXJBFRBNCRPNQM-VXGBXAGGSA-N 0 0 318.439 0.566 10 0 DCAERN CN(CC1CC1)C(=O)CN1C(=O)NC2(CCC(=O)CC2)C1=O ZINC000542789593 287947197 /nfs/dbraw/zinc/94/71/97/287947197.db2.gz CYQUPBCYPBVAJR-UHFFFAOYSA-N 0 0 307.350 0.289 10 0 DCAERN O=C(N[C@H]1CNC(=O)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000544538095 287976571 /nfs/dbraw/zinc/97/65/71/287976571.db2.gz DFMOHYDCRJWHSK-OLZOCXBDSA-N 0 0 317.345 0.422 10 0 DCAERN O=C(CSCCOCCO)NC[C@@H]1Cc2ccccc2O1 ZINC000545180730 287987237 /nfs/dbraw/zinc/98/72/37/287987237.db2.gz HQXRZXSGWZTYMA-ZDUSSCGKSA-N 0 0 311.403 0.848 10 0 DCAERN COC(=O)CN(C1CCOCC1)S(=O)(=O)N1CCC[C@@H]1C ZINC000545318241 287996046 /nfs/dbraw/zinc/99/60/46/287996046.db2.gz HRXJNSYMKWGJQE-NSHDSACASA-N 0 0 320.411 0.370 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000408069465 277997380 /nfs/dbraw/zinc/99/73/80/277997380.db2.gz BPWBMFAYBBMTTD-JTQLQIEISA-N 0 0 304.354 0.944 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000375426860 278024609 /nfs/dbraw/zinc/02/46/09/278024609.db2.gz QVYBFWNIUHTHGW-LMRQPLJMSA-N 0 0 310.394 0.792 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000375426851 278024728 /nfs/dbraw/zinc/02/47/28/278024728.db2.gz QVYBFWNIUHTHGW-CQJJVWNLSA-N 0 0 310.394 0.792 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)C1 ZINC000329321082 278032143 /nfs/dbraw/zinc/03/21/43/278032143.db2.gz GNGWTTMNVAOXGA-UAGQMJEPSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000190289770 278090615 /nfs/dbraw/zinc/09/06/15/278090615.db2.gz RFJSWQJVPLOZSV-MJBXVCDLSA-N 0 0 307.394 0.864 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125522609 278096355 /nfs/dbraw/zinc/09/63/55/278096355.db2.gz PGLRPJAZTXJIAM-ABAIWWIYSA-N 0 0 317.389 0.994 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(CC(=O)N2CCC2)C1 ZINC000408211274 278149830 /nfs/dbraw/zinc/14/98/30/278149830.db2.gz NQIKJJGOTGJNDL-GHMZBOCLSA-N 0 0 307.316 0.750 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408045940 278154885 /nfs/dbraw/zinc/15/48/85/278154885.db2.gz ABYMKAPIEUTVNN-OAHLLOKOSA-N 0 0 322.413 0.203 10 0 DCAERN CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cnnn2C)C1 ZINC000408057963 278180412 /nfs/dbraw/zinc/18/04/12/278180412.db2.gz CJOZCCRBBNBGBP-WPRPVWTQSA-N 0 0 319.287 0.487 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cn1 ZINC000546693211 288026066 /nfs/dbraw/zinc/02/60/66/288026066.db2.gz AMNKJTWSDJDORA-JQWIXIFHSA-N 0 0 309.366 0.023 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@@H](C(N)=O)O1 ZINC000157515250 288028368 /nfs/dbraw/zinc/02/83/68/288028368.db2.gz VMGARCLVTNHABR-APPZFPTMSA-N 0 0 317.267 0.815 10 0 DCAERN CC(C)(C)OC(=O)C(=O)O[C@@H]1N(C(=O)[O-])CC12CC[NH2+]CC2 ZINC000085346376 278370941 /nfs/dbraw/zinc/37/09/41/278370941.db2.gz KQAMCTRFUKFOIG-NSHDSACASA-N 0 0 314.338 0.561 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1N1CCOCC1 ZINC000173973418 278414333 /nfs/dbraw/zinc/41/43/33/278414333.db2.gz HUFQETAETSPBFZ-NHYWBVRUSA-N 0 0 315.377 0.751 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000547438925 288045819 /nfs/dbraw/zinc/04/58/19/288045819.db2.gz LOAGSIPHKGAJNG-QWRGUYRKSA-N 0 0 310.441 0.272 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000547732400 288073595 /nfs/dbraw/zinc/07/35/95/288073595.db2.gz UQUQFCOAQHYKPM-JTQLQIEISA-N 0 0 324.299 0.415 10 0 DCAERN C[C@@H]1COCCN1CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000547794717 288079995 /nfs/dbraw/zinc/07/99/95/288079995.db2.gz PONKZUFFOGNFLZ-CHWSQXEVSA-N 0 0 324.450 0.949 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548009897 288101597 /nfs/dbraw/zinc/10/15/97/288101597.db2.gz OBWAIOUTKAPOHM-UMVBOHGHSA-N 0 0 322.409 0.335 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCSC[C@@H]1CCO ZINC000548136128 288115281 /nfs/dbraw/zinc/11/52/81/288115281.db2.gz UYUJGJAHQHESHO-WDEREUQCSA-N 0 0 307.437 0.280 10 0 DCAERN CCN1CCCN(C(=O)N[C@H]2CCCn3nc(C)nc32)CC1=O ZINC000189877727 279287032 /nfs/dbraw/zinc/28/70/32/279287032.db2.gz BQZJFFGOGRGQAX-LBPRGKRZSA-N 0 0 320.397 0.685 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1=O ZINC000295073925 279313326 /nfs/dbraw/zinc/31/33/26/279313326.db2.gz YWVQJIJIEMIXNG-NHYWBVRUSA-N 0 0 305.334 0.270 10 0 DCAERN Cn1cc(N2CCC[C@@H](N3CCc4cncnc4C3)C2=O)cn1 ZINC000329626263 279339270 /nfs/dbraw/zinc/33/92/70/279339270.db2.gz TWMQCRCEYPILAV-OAHLLOKOSA-N 0 0 312.377 0.764 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@]2(C)CCCCO2)CC12COC2 ZINC000457825614 279621441 /nfs/dbraw/zinc/62/14/41/279621441.db2.gz VVWRGYLYZRYYOK-DOMZBBRYSA-N 0 0 311.378 0.984 10 0 DCAERN C[S@@](=O)C[C@H](NC(=O)CN1CCOCC1=O)c1ccccc1 ZINC000548719486 288170593 /nfs/dbraw/zinc/17/05/93/288170593.db2.gz QKPPIMHIIQFIJO-WHEQGISXSA-N 0 0 324.402 0.081 10 0 DCAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 ZINC000177120801 279908480 /nfs/dbraw/zinc/90/84/80/279908480.db2.gz COVSWPBSDROTBD-DGCLKSJQSA-N 0 0 316.361 0.929 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc2ccccc2[nH]c1=O ZINC000172002262 279923062 /nfs/dbraw/zinc/92/30/62/279923062.db2.gz PSBZZTBDTILLOA-LLVKDONJSA-N 0 0 309.329 0.864 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C)o2)[C@@H](C)C1 ZINC000550763928 288218987 /nfs/dbraw/zinc/21/89/87/288218987.db2.gz JKGFSHYXBLLACK-NSHDSACASA-N 0 0 321.377 0.326 10 0 DCAERN O=C1NC[C@@H]2CN(C[C@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459653 280292062 /nfs/dbraw/zinc/29/20/62/280292062.db2.gz YMUKOTIDTAYKPO-GHMZBOCLSA-N 0 0 301.337 0.455 10 0 DCAERN CC(C)[C@H](NCc1nc(N(C)C)no1)C(=O)N1CCOCC1 ZINC000192784535 280327780 /nfs/dbraw/zinc/32/77/80/280327780.db2.gz AIQCIEFYYBAKPM-LBPRGKRZSA-N 0 0 311.386 0.109 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H](C)O1 ZINC000246058505 288236492 /nfs/dbraw/zinc/23/64/92/288236492.db2.gz VVDWGCPRVAMQLA-KSTCHIGDSA-N 0 0 318.439 0.888 10 0 DCAERN C[C@@H]1CN([C@H]2CCc3ccccc3NC2=O)C[C@@H](C(N)=O)O1 ZINC000248905766 288254637 /nfs/dbraw/zinc/25/46/37/288254637.db2.gz WMLGOPPWESENIC-SWHYSGLUSA-N 0 0 303.362 0.515 10 0 DCAERN CC(C)c1nnc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)n1C ZINC000126689301 280710166 /nfs/dbraw/zinc/71/01/66/280710166.db2.gz GGXZLIYOGOVONL-MNOVXSKESA-N 0 0 300.428 0.946 10 0 DCAERN CC(C)n1cc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000408238842 280767487 /nfs/dbraw/zinc/76/74/87/280767487.db2.gz UQDKTNLJAHNLNT-QWRGUYRKSA-N 0 0 314.411 0.739 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCNC(=O)CC1 ZINC000552445446 288275449 /nfs/dbraw/zinc/27/54/49/288275449.db2.gz RUXKYVBLDJSPRV-OAHLLOKOSA-N 0 0 315.373 0.308 10 0 DCAERN CC[C@@H](O)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552736388 288279709 /nfs/dbraw/zinc/27/97/09/288279709.db2.gz PFJPJYOYHSFZGH-GFCCVEGCSA-N 0 0 304.350 0.940 10 0 DCAERN CC1(C)CCC[C@@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000176614113 281030173 /nfs/dbraw/zinc/03/01/73/281030173.db2.gz DFIMETSTGQLTFX-MNOVXSKESA-N 0 0 303.428 0.898 10 0 DCAERN CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553101044 288287230 /nfs/dbraw/zinc/28/72/30/288287230.db2.gz MNKJLBXZUIROML-LBPRGKRZSA-N 0 0 304.350 0.796 10 0 DCAERN COCC(=O)N1CCN(C(=O)NCCc2cc(C)no2)CC1 ZINC000553984671 288311602 /nfs/dbraw/zinc/31/16/02/288311602.db2.gz ZDZURVNUFUAZFI-UHFFFAOYSA-N 0 0 310.354 0.026 10 0 DCAERN CC1(C)COCCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408024146 281282436 /nfs/dbraw/zinc/28/24/36/281282436.db2.gz XUOIJBIOLPQXIE-NSHDSACASA-N 0 0 301.408 0.839 10 0 DCAERN Cc1nc([C@](C)(NC(=O)CN2CSCC2=O)C2CC2)no1 ZINC000554557550 288328536 /nfs/dbraw/zinc/32/85/36/288328536.db2.gz BUURLCPJLONIST-CYBMUJFWSA-N 0 0 310.379 0.652 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1cccnc1 ZINC000555518274 288353048 /nfs/dbraw/zinc/35/30/48/288353048.db2.gz FBMCXVWALMTPAR-VXGBXAGGSA-N 0 0 321.377 0.587 10 0 DCAERN CN1CCOC[C@H]1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000556730361 288388755 /nfs/dbraw/zinc/38/87/55/288388755.db2.gz DYLLESOABFCOFA-AWEZNQCLSA-N 0 0 301.346 0.808 10 0 DCAERN COCCOC1CN(C(=O)N[C@H]2CCCc3nn(C)cc32)C1 ZINC000558958645 288463386 /nfs/dbraw/zinc/46/33/86/288463386.db2.gz NHQDZGSKGQLNCD-ZDUSSCGKSA-N 0 0 308.382 0.854 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000564528098 288748271 /nfs/dbraw/zinc/74/82/71/288748271.db2.gz ZSEVIHFFUFVLJL-GFCCVEGCSA-N 0 0 315.373 0.843 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000564750735 288765615 /nfs/dbraw/zinc/76/56/15/288765615.db2.gz ITFHZIUOODPRKF-GXTWGEPZSA-N 0 0 318.439 0.985 10 0 DCAERN O=C([C@@H]1CCc2nnnn2CC1)N1CCOCC2(CCC2)C1 ZINC000565078689 288815574 /nfs/dbraw/zinc/81/55/74/288815574.db2.gz KGQVSHXFKBQIFP-GFCCVEGCSA-N 0 0 305.382 0.655 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986809 288965173 /nfs/dbraw/zinc/96/51/73/288965173.db2.gz ZPUPWTMQIZGZMO-CJNGLKHVSA-N 0 0 317.389 0.801 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@H]1CCCC12CCOCC2 ZINC000407967653 289231647 /nfs/dbraw/zinc/23/16/47/289231647.db2.gz QXQPOXULLDCYEQ-NSHDSACASA-N 0 0 304.412 0.343 10 0 DCAERN CNC(=O)CC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000187527570 290363062 /nfs/dbraw/zinc/36/30/62/290363062.db2.gz AIFOGWJOWJKNLQ-CQSZACIVSA-N 0 0 307.325 0.270 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@H]3CCOC3)[C@H]2C1 ZINC000407991024 293784375 /nfs/dbraw/zinc/78/43/75/293784375.db2.gz SBYROAXHIFJWHO-CRWXNKLISA-N 0 0 319.423 0.621 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000408336956 297038269 /nfs/dbraw/zinc/03/82/69/297038269.db2.gz AQWXMRUQVCRKAC-BDAKNGLRSA-N 0 0 303.302 0.758 10 0 DCAERN CO[C@@]1(C)CCCN(C(=O)[C@]2(O)CCCN(C(C)=O)C2)CC1 ZINC000408059185 294127537 /nfs/dbraw/zinc/12/75/37/294127537.db2.gz PQQVROYXHNVUKC-HOTGVXAUSA-N 0 0 312.410 0.777 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCCc3c(N)cccc32)c1=O ZINC000261930062 294167387 /nfs/dbraw/zinc/16/73/87/294167387.db2.gz CKNLRRUHSKXGNM-UHFFFAOYSA-N 0 0 300.318 0.661 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000123260596 294354103 /nfs/dbraw/zinc/35/41/03/294354103.db2.gz XOQULHSXUIKQRN-ABAIWWIYSA-N 0 0 306.366 0.512 10 0 DCAERN Cn1ccc([C@H]2NC(=O)N([C@@H]3CC(=O)N(C(C)(C)C)C3)C2=O)n1 ZINC000330350145 294361318 /nfs/dbraw/zinc/36/13/18/294361318.db2.gz KSQPSIMXVZJNLU-BXKDBHETSA-N 0 0 319.365 0.617 10 0 DCAERN Cn1cnn(CC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)c1=O ZINC000182278205 294487630 /nfs/dbraw/zinc/48/76/30/294487630.db2.gz GMBQBLCSURYDPN-TZMCWYRMSA-N 0 0 302.334 0.228 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000375926870 299862061 /nfs/dbraw/zinc/86/20/61/299862061.db2.gz JLBZKVFOVGJCOP-CRWXNKLISA-N 0 0 318.439 0.984 10 0 DCAERN COc1cc2c(c([C@@H]3NC(=O)[C@@H]4COCCN34)c1)O[C@H](C)C2 ZINC000245706577 295031536 /nfs/dbraw/zinc/03/15/36/295031536.db2.gz FFAOXRMTBPBAMG-ZDBHGNHJSA-N 0 0 304.346 0.848 10 0 DCAERN COc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000042747246 295196794 /nfs/dbraw/zinc/19/67/94/295196794.db2.gz WCPZFMSBOYQSSH-GHMZBOCLSA-N 0 0 312.391 0.970 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000177596498 295483277 /nfs/dbraw/zinc/48/32/77/295483277.db2.gz BCSOEGVPUCYLRS-JTQLQIEISA-N 0 0 312.395 0.444 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000333070679 297521347 /nfs/dbraw/zinc/52/13/47/297521347.db2.gz KFGWQVXVFGMXCA-TUAOUCFPSA-N 0 0 306.370 0.292 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329157938 298007747 /nfs/dbraw/zinc/00/77/47/298007747.db2.gz DHTIYQZQEFLFOK-HZSPNIEDSA-N 0 0 314.451 0.752 10 0 DCAERN C[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(=O)N1C ZINC000407972239 300200747 /nfs/dbraw/zinc/20/07/47/300200747.db2.gz SKUIFPOIQBMEJM-ZDUSSCGKSA-N 0 0 317.389 0.826 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000408256892 300372461 /nfs/dbraw/zinc/37/24/61/300372461.db2.gz PEWAJELTSDKCTE-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H]1OCC[C@@]12CN(S(=O)(=O)[C@@H]1CCCOC1)C[C@@H](C)O2 ZINC000333282026 300620906 /nfs/dbraw/zinc/62/09/06/300620906.db2.gz JSXOYDDZYRPFSS-AAVRWANBSA-N 0 0 319.423 0.764 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000333552986 300626746 /nfs/dbraw/zinc/62/67/46/300626746.db2.gz UXLMWNYCTHZAOB-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCO[C@@]4(CCOC4)C3)C2=O)n(C)n1 ZINC000249027312 301342008 /nfs/dbraw/zinc/34/20/08/301342008.db2.gz RUSRJKFHWBFKQC-BBRMVZONSA-N 0 0 320.393 0.325 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284796677 301552679 /nfs/dbraw/zinc/55/26/79/301552679.db2.gz RWQYGFNZLFOONT-YPMHNXCESA-N 0 0 312.391 0.567 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000159190121 301614581 /nfs/dbraw/zinc/61/45/81/301614581.db2.gz LWVTWUOYLIQSET-JTQLQIEISA-N 0 0 321.395 0.942 10 0 DCAERN Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178518465 301648292 /nfs/dbraw/zinc/64/82/92/301648292.db2.gz OBZRFAXNQUNNHE-NSHDSACASA-N 0 0 311.407 0.787 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000408458695 302292335 /nfs/dbraw/zinc/29/23/35/302292335.db2.gz GNMNWZBCXCPLLX-ZDUSSCGKSA-N 0 0 311.407 0.485 10 0 DCAERN Cc1cnn(-c2ccc(C(=O)N3CCOC[C@H]3C(N)=O)cc2)c1 ZINC000091783227 302388401 /nfs/dbraw/zinc/38/84/01/302388401.db2.gz SOBXQAZNLQTVJV-AWEZNQCLSA-N 0 0 314.345 0.507 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261678596 302910876 /nfs/dbraw/zinc/91/08/76/302910876.db2.gz IDAAZEFBIPRUQE-CQSZACIVSA-N 0 0 313.361 0.306 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000408256620 303291823 /nfs/dbraw/zinc/29/18/23/303291823.db2.gz OIVJTVSESNGXQF-IJLUTSLNSA-N 0 0 320.397 0.846 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)N1CCCCC1 ZINC000408251819 303624909 /nfs/dbraw/zinc/62/49/09/303624909.db2.gz HWYJJCZBLQVKBV-MRXNPFEDSA-N 0 0 322.409 0.311 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000408145629 303940110 /nfs/dbraw/zinc/94/01/10/303940110.db2.gz JQAAJULIQMIOSD-MELADBBJSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@]1(CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCCC[C@@H]1O ZINC000332843613 332884361 /nfs/dbraw/zinc/88/43/61/332884361.db2.gz LZUYLHWCXGZHAN-XFMPKHEZSA-N 0 0 323.397 0.458 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)CCO1 ZINC000332869305 332889906 /nfs/dbraw/zinc/88/99/06/332889906.db2.gz AHOHPKWNXJRHOW-WXHSDQCUSA-N 0 0 316.423 0.627 10 0 DCAERN Cc1cc(C)n(CC(=O)NC[C@@H](CO)Cc2cnn(C)c2)n1 ZINC000574973442 332898412 /nfs/dbraw/zinc/89/84/12/332898412.db2.gz VJXFPJVHMZIWFU-AWEZNQCLSA-N 0 0 305.382 0.201 10 0 DCAERN CCC1(CC)CN(C(=O)CCNS(C)(=O)=O)CC[S@]1=O ZINC000186762763 332944171 /nfs/dbraw/zinc/94/41/71/332944171.db2.gz AWERTUBHWDNCNC-LJQANCHMSA-N 0 0 324.468 0.075 10 0 DCAERN COC(=O)c1cnc(N2CCCC[C@@H]2CN2CCOCC2)nc1 ZINC000584305375 332235105 /nfs/dbraw/zinc/23/51/05/332235105.db2.gz OASZAJNBWPYYBL-CQSZACIVSA-N 0 0 320.393 0.954 10 0 DCAERN COCCN1CCN(C(=O)c2cccc3n[nH]nc32)C[C@@H]1C ZINC000188047351 333019358 /nfs/dbraw/zinc/01/93/58/333019358.db2.gz WKQMSXFJAWRTTJ-NSHDSACASA-N 0 0 303.366 0.751 10 0 DCAERN CCNS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000172452566 333063194 /nfs/dbraw/zinc/06/31/94/333063194.db2.gz MBTYIIAKSVIORZ-NSHDSACASA-N 0 0 305.444 0.713 10 0 DCAERN CCN1CN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1=O ZINC000190494596 336264365 /nfs/dbraw/zinc/26/43/65/336264365.db2.gz WKRDUDJBWJXHAG-LBPRGKRZSA-N 0 0 303.362 0.843 10 0 DCAERN NS(=O)(=O)c1cccc(C2=CCCOC2)c1-c1nn[nH]n1 ZINC000584597084 337374318 /nfs/dbraw/zinc/37/43/18/337374318.db2.gz YIYYBRHHRAIYIM-UHFFFAOYSA-N 0 0 307.335 0.318 10 0 DCAERN CCc1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)s1 ZINC000575826930 341807239 /nfs/dbraw/zinc/80/72/39/341807239.db2.gz OMABGXYYXVXYQJ-CYBMUJFWSA-N 0 0 308.363 0.520 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)NCCNS(C)(=O)=O)c1 ZINC000171535985 533745471 /nfs/dbraw/zinc/74/54/71/533745471.db2.gz RYMBPCNLEBNTFB-QWHCGFSZSA-N 0 0 312.391 0.464 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000155112287 533789639 /nfs/dbraw/zinc/78/96/39/533789639.db2.gz ZVFCVVFIFVTJMZ-BETUJISGSA-N 0 0 316.467 1.000 10 0 DCAERN COC(=O)Cn1ncc2c1ncnc2N[C@H](C)c1nc[nH]n1 ZINC000302013429 533832462 /nfs/dbraw/zinc/83/24/62/533832462.db2.gz BEYXFEOFUKOABA-SSDOTTSWSA-N 0 0 302.298 0.291 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCN1CCO ZINC000187130202 533863388 /nfs/dbraw/zinc/86/33/88/533863388.db2.gz ILCHPKZOSMWWQE-NSHDSACASA-N 0 0 306.366 0.316 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCN(CCO)[C@H](C)C2)cc1F ZINC000187729139 533985440 /nfs/dbraw/zinc/98/54/40/533985440.db2.gz GOVVDYJBDSACAH-CQSZACIVSA-N 0 0 323.412 0.749 10 0 DCAERN C[C@H](O)C1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000155201586 534050474 /nfs/dbraw/zinc/05/04/74/534050474.db2.gz QBKXUFXPJULMOF-ZDUSSCGKSA-N 0 0 313.442 0.900 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(c3ccncc3C(N)=O)CCO2)n1 ZINC000302038964 534114598 /nfs/dbraw/zinc/11/45/98/534114598.db2.gz QOGIYPIRYAZMSA-ZDUSSCGKSA-N 0 0 315.377 0.899 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000189264294 534151310 /nfs/dbraw/zinc/15/13/10/534151310.db2.gz KTWUJQGXBXRDBR-CYDGBPFRSA-N 0 0 318.439 0.636 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188818364 534254901 /nfs/dbraw/zinc/25/49/01/534254901.db2.gz KTHQXJPESMNBAC-GFCCVEGCSA-N 0 0 306.362 0.612 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C[C@H](C)O)[C@H](C)CO)cc1C ZINC000189304293 534263769 /nfs/dbraw/zinc/26/37/69/534263769.db2.gz XWQNPDQVPLONAX-KGLIPLIRSA-N 0 0 322.405 0.623 10 0 DCAERN CC[C@H](NC(=O)c1cccc2ncnn21)C(=O)N1CCOCC1 ZINC000543418900 517824876 /nfs/dbraw/zinc/82/48/76/517824876.db2.gz PZGRDEZQILLOCV-NSHDSACASA-N 0 0 317.349 0.097 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CC[C@H](C)C[C@H]3C(N)=O)c2n1 ZINC000188485741 534369558 /nfs/dbraw/zinc/36/95/58/534369558.db2.gz MPIMJHIRTXOVCR-CABZTGNLSA-N 0 0 301.350 0.764 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)CNC(=O)NCc1ccco1 ZINC000186656378 519214856 /nfs/dbraw/zinc/21/48/56/519214856.db2.gz JGWTXIFSTJONAD-LBPRGKRZSA-N 0 0 311.382 0.944 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c1 ZINC000266750960 519452881 /nfs/dbraw/zinc/45/28/81/519452881.db2.gz NNORTDOLRJUIQT-AWEZNQCLSA-N 0 0 319.361 0.903 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCOC[C@H]2C)c1 ZINC000266726772 519454065 /nfs/dbraw/zinc/45/40/65/519454065.db2.gz GIZCETWNCQURRJ-LLVKDONJSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000188475389 519482304 /nfs/dbraw/zinc/48/23/04/519482304.db2.gz RYZMSVLTZUJZEX-AWEZNQCLSA-N 0 0 317.393 0.382 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)C1 ZINC000365072436 519486538 /nfs/dbraw/zinc/48/65/38/519486538.db2.gz WPOHNLOSSFYHOX-CQSZACIVSA-N 0 0 321.377 0.887 10 0 DCAERN CC(C)C(=O)NCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157149276 519499550 /nfs/dbraw/zinc/49/95/50/519499550.db2.gz XGZPJXXWZNZDTH-UHFFFAOYSA-N 0 0 318.420 0.654 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000156685421 519554332 /nfs/dbraw/zinc/55/43/32/519554332.db2.gz WBEGZTOHJSBEKD-AWEZNQCLSA-N 0 0 317.393 0.526 10 0 DCAERN C[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCN1CCO ZINC000187129740 534434328 /nfs/dbraw/zinc/43/43/28/534434328.db2.gz CXPRRGXEBLUZHM-CYBMUJFWSA-N 0 0 315.377 0.406 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000191341950 519646965 /nfs/dbraw/zinc/64/69/65/519646965.db2.gz NBKSUVCXNBKUMO-UHFFFAOYSA-N 0 0 309.753 0.934 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCNC(=O)c2ccccc2F)C1 ZINC000189946512 519648223 /nfs/dbraw/zinc/64/82/23/519648223.db2.gz HWUWTWYKZLFAMZ-UHFFFAOYSA-N 0 0 322.340 0.085 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc2nnn(C)c2c1 ZINC000185142100 519650380 /nfs/dbraw/zinc/65/03/80/519650380.db2.gz LQLDYKNDXQTEOU-UHFFFAOYSA-N 0 0 324.406 0.864 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1=O ZINC000188854794 519689263 /nfs/dbraw/zinc/68/92/63/519689263.db2.gz RCGGGNQNIPKUKH-ZDUSSCGKSA-N 0 0 322.409 0.306 10 0 DCAERN CC(C)CCn1cc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)nn1 ZINC000157560285 519701303 /nfs/dbraw/zinc/70/13/03/519701303.db2.gz UBHKNYNUHFFMGW-ZYHUDNBSSA-N 0 0 309.370 0.039 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNC(=O)CNC(=O)c1cccnc1 ZINC000127716687 519822326 /nfs/dbraw/zinc/82/23/26/519822326.db2.gz XDNRBZHRXLZRKL-AWEZNQCLSA-N 0 0 307.394 0.971 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188937390 519865830 /nfs/dbraw/zinc/86/58/30/519865830.db2.gz HSHVPPPWRBXNOT-QWHCGFSZSA-N 0 0 309.410 0.762 10 0 DCAERN CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@@H]2C(N)=O)n1 ZINC000158168145 519874964 /nfs/dbraw/zinc/87/49/64/519874964.db2.gz NOEOJQOOBBFYQC-SECBINFHSA-N 0 0 312.757 0.580 10 0 DCAERN CCOCCOCC(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000112295272 519980331 /nfs/dbraw/zinc/98/03/31/519980331.db2.gz GXTOYJPCAZZZSO-UHFFFAOYSA-N 0 0 312.370 0.075 10 0 DCAERN CCOCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000126648748 520054419 /nfs/dbraw/zinc/05/44/19/520054419.db2.gz BJBUNQCLTJSKIH-LLVKDONJSA-N 0 0 318.395 0.721 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)CNC(=O)c1cccnc1 ZINC000157378929 520468708 /nfs/dbraw/zinc/46/87/08/520468708.db2.gz ZUJZQTNDTCEMGK-UHFFFAOYSA-N 0 0 306.366 0.138 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)c1 ZINC000178806033 534500506 /nfs/dbraw/zinc/50/05/06/534500506.db2.gz GTBSOURIBOYKCB-CMPLNLGQSA-N 0 0 312.391 0.615 10 0 DCAERN CCOc1ccnc(N2CCN(CCn3ccnc3)CC2)n1 ZINC000163004182 521596977 /nfs/dbraw/zinc/59/69/77/521596977.db2.gz SSJPHOBOIAIIIQ-UHFFFAOYSA-N 0 0 302.382 0.894 10 0 DCAERN CCC1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000267278271 521663711 /nfs/dbraw/zinc/66/37/11/521663711.db2.gz VBWNQRCEPTZDMG-UHFFFAOYSA-N 0 0 300.366 0.963 10 0 DCAERN CCNC(=O)N1CC[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000155485927 521740643 /nfs/dbraw/zinc/74/06/43/521740643.db2.gz IBOFEKQLSGGHDK-JTQLQIEISA-N 0 0 302.334 0.666 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCn1c(C)c(C)sc1=O ZINC000115354673 521748563 /nfs/dbraw/zinc/74/85/63/521748563.db2.gz QDJWMWTUWIWCCX-LLVKDONJSA-N 0 0 311.407 0.654 10 0 DCAERN COc1c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(C)nn1C ZINC000112297847 521780328 /nfs/dbraw/zinc/78/03/28/521780328.db2.gz FTPKMVOFCNBBEV-GFCCVEGCSA-N 0 0 319.365 0.475 10 0 DCAERN COc1c(CNc2ccc(S(N)(=O)=O)cc2)c(C)nn1C ZINC000158311241 521832778 /nfs/dbraw/zinc/83/27/78/521832778.db2.gz HJIUBEHPXSHVAV-UHFFFAOYSA-N 0 0 310.379 0.997 10 0 DCAERN COCCn1cc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)cn1 ZINC000186212985 522112443 /nfs/dbraw/zinc/11/24/43/522112443.db2.gz DMEFHVHEEIDWMH-ZDUSSCGKSA-N 0 0 318.381 0.789 10 0 DCAERN CCc1nnc([C@H]2CN(c3cc(Cl)nc(N)n3)CCO2)[nH]1 ZINC000131658373 522139472 /nfs/dbraw/zinc/13/94/72/522139472.db2.gz PGQJPYHLNWICOI-SSDOTTSWSA-N 0 0 309.761 0.971 10 0 DCAERN CN(C)c1ccc(Cl)cc1NC(=O)CN1CC(=O)NC1=O ZINC000134690611 522218245 /nfs/dbraw/zinc/21/82/45/522218245.db2.gz XOHQVWLIIVLQJV-UHFFFAOYSA-N 0 0 310.741 0.896 10 0 DCAERN CC[C@@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)C(=O)OC ZINC000195303279 522668817 /nfs/dbraw/zinc/66/88/17/522668817.db2.gz PVSHZTLSYPQMCY-VHSXEESVSA-N 0 0 307.354 0.631 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccco1 ZINC000245423894 522757967 /nfs/dbraw/zinc/75/79/67/522757967.db2.gz RMEVDAYZZYIYCZ-TUAOUCFPSA-N 0 0 318.395 0.911 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cnccc2C)CC1 ZINC000189454839 522811146 /nfs/dbraw/zinc/81/11/46/522811146.db2.gz GBRSOLORQHXUEU-ZDUSSCGKSA-N 0 0 320.393 0.244 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000189473657 522811365 /nfs/dbraw/zinc/81/13/65/522811365.db2.gz NZOGUTPPEALHQT-LBPRGKRZSA-N 0 0 324.356 0.074 10 0 DCAERN COc1cc2c(cc1CNC(=O)[C@H]1CNC(=O)C1)O[C@@H](C)C2 ZINC000153173548 522998707 /nfs/dbraw/zinc/99/87/07/522998707.db2.gz JUIOTHFXIRRVSM-JOYOIKCWSA-N 0 0 304.346 0.771 10 0 DCAERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152209628 523062753 /nfs/dbraw/zinc/06/27/53/523062753.db2.gz SUYUKIVMENFUSI-GHMZBOCLSA-N 0 0 308.309 0.905 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccnc1 ZINC000129497365 523225762 /nfs/dbraw/zinc/22/57/62/523225762.db2.gz ABJNYAWGXBVUEM-LLVKDONJSA-N 0 0 323.378 0.633 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000134131837 523258625 /nfs/dbraw/zinc/25/86/25/523258625.db2.gz WMCHOEHGPGCBRI-NEPJUHHUSA-N 0 0 306.366 0.761 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)NCC(F)(F)F)CCO2)cn1 ZINC000190824586 523466098 /nfs/dbraw/zinc/46/60/98/523466098.db2.gz BOSQNOIUTSRNOG-NSHDSACASA-N 0 0 320.315 0.955 10 0 DCAERN CC[C@@H]1CN([C@H](C)C(=O)NC(=O)NC)CCN1CC(F)F ZINC000245724096 523468940 /nfs/dbraw/zinc/46/89/40/523468940.db2.gz HZCAUYBPJQWJLY-NXEZZACHSA-N 0 0 306.357 0.492 10 0 DCAERN CN1C(=O)CO[C@@H](C(=O)N2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000365199691 523693726 /nfs/dbraw/zinc/69/37/26/523693726.db2.gz UMARJTGQIPZUPX-AEGPPILISA-N 0 0 304.346 0.178 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccnc(C)n2)C[C@@H]1C ZINC000117483012 523843349 /nfs/dbraw/zinc/84/33/49/523843349.db2.gz LCJQUXBCLFELFV-LBPRGKRZSA-N 0 0 307.398 0.647 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000365961835 523871621 /nfs/dbraw/zinc/87/16/21/523871621.db2.gz MELPQRGRGDKLPG-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@]2(O)CCc3ccccc32)CCC1=O ZINC000127839087 524010669 /nfs/dbraw/zinc/01/06/69/524010669.db2.gz XVQHWEJADMWESK-GUYCJALGSA-N 0 0 317.389 0.740 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000153175360 524015238 /nfs/dbraw/zinc/01/52/38/524015238.db2.gz UCCYVQMUDKHZGD-GFCCVEGCSA-N 0 0 316.361 0.559 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@H](Oc3ccncc3)C2)CCC1=O ZINC000158048298 524023085 /nfs/dbraw/zinc/02/30/85/524023085.db2.gz LEMJVPBMYAGNFC-OCCSQVGLSA-N 0 0 318.377 0.865 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@@H](c3nccs3)C2)CC1=O ZINC000267624590 524023219 /nfs/dbraw/zinc/02/32/19/524023219.db2.gz LLLNRCBOUVZXMV-NXEZZACHSA-N 0 0 310.379 0.457 10 0 DCAERN CNC(=O)C1(C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000106024662 524045621 /nfs/dbraw/zinc/04/56/21/524045621.db2.gz YOSXOEINAPVRRF-UHFFFAOYSA-N 0 0 303.366 0.042 10 0 DCAERN CNC(=O)NCC(=O)Nc1c[nH]cc(Br)c1=O ZINC000119953179 524078916 /nfs/dbraw/zinc/07/89/16/524078916.db2.gz JATHYEMWCIPERT-UHFFFAOYSA-N 0 0 303.116 0.417 10 0 DCAERN C[C@H](CCCO)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000122712390 524147746 /nfs/dbraw/zinc/14/77/46/524147746.db2.gz SEKLRELGMBBSMB-OSAQELSMSA-N 0 0 305.378 0.878 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(-c2ncon2)cc1 ZINC000194233623 524310701 /nfs/dbraw/zinc/31/07/01/524310701.db2.gz OVTJUPVKNCXEQH-JOYOIKCWSA-N 0 0 300.318 0.991 10 0 DCAERN COc1ccc(F)cc1CNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000187905548 524313200 /nfs/dbraw/zinc/31/32/00/524313200.db2.gz GUTBFVCMRPTNJG-LBPRGKRZSA-N 0 0 322.340 0.753 10 0 DCAERN C[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)C[C@H](C2CC2)O1 ZINC000366306313 524493190 /nfs/dbraw/zinc/49/31/90/524493190.db2.gz ULNKWHWDVJZOPG-WCBMZHEXSA-N 0 0 323.315 0.874 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245693793 524573634 /nfs/dbraw/zinc/57/36/34/524573634.db2.gz VBXOGTZCWSNEIA-MPXAEWJHSA-N 0 0 305.378 0.734 10 0 DCAERN C[C@H]1CN(CCS(=O)(=O)c2ccccc2)CCS1(=O)=O ZINC000155409125 524600743 /nfs/dbraw/zinc/60/07/43/524600743.db2.gz OQDSVYQLULYDJP-LBPRGKRZSA-N 0 0 317.432 0.579 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CCc2ccccc2)CCS1(=O)=O ZINC000159189536 524653851 /nfs/dbraw/zinc/65/38/51/524653851.db2.gz KPGGTRRPMUJSIZ-LBPRGKRZSA-N 0 0 317.432 0.678 10 0 DCAERN C[C@@H](CNC(=O)Nc1ccc(C(N)=O)nc1)Cn1cccn1 ZINC000159060953 524689397 /nfs/dbraw/zinc/68/93/97/524689397.db2.gz SMPNVXGEBSCNMW-JTQLQIEISA-N 0 0 302.338 0.835 10 0 DCAERN C[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000132289519 524714818 /nfs/dbraw/zinc/71/48/18/524714818.db2.gz CTEIOFMCOBQCHI-CJNGLKHVSA-N 0 0 324.396 0.814 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293154 524815524 /nfs/dbraw/zinc/81/55/24/524815524.db2.gz CIOJFENOIJJJPN-QWRGUYRKSA-N 0 0 314.407 0.684 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc32)C[C@@H](C(N)=O)O1 ZINC000157352419 524853421 /nfs/dbraw/zinc/85/34/21/524853421.db2.gz YEVLFBVOCHHBHG-PELKAZGASA-N 0 0 318.308 0.484 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000249477108 524871934 /nfs/dbraw/zinc/87/19/34/524871934.db2.gz UMUBLMDHMURPJD-LBPRGKRZSA-N 0 0 316.398 0.821 10 0 DCAERN COc1ncncc1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000135886080 525086927 /nfs/dbraw/zinc/08/69/27/525086927.db2.gz DHFGWIRQNSMAID-JTQLQIEISA-N 0 0 303.326 0.946 10 0 DCAERN Cc1cc(N2CC[C@H](Sc3nnc(N)n3C)C2=O)n(C)n1 ZINC000159173703 525095359 /nfs/dbraw/zinc/09/53/59/525095359.db2.gz WHFSOTIEDYXBCY-QMMMGPOBSA-N 0 0 307.383 0.337 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000116835301 525208640 /nfs/dbraw/zinc/20/86/40/525208640.db2.gz VRNRLSOZGLMXCL-ORAHPGNNSA-N 0 0 300.405 0.911 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000116833940 525209589 /nfs/dbraw/zinc/20/95/89/525209589.db2.gz DGJDNFKMBYZIEE-DGCLKSJQSA-N 0 0 324.402 0.703 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC1CC1 ZINC000124681408 525288370 /nfs/dbraw/zinc/28/83/70/525288370.db2.gz QYNDLIHNRUUHPT-JTQLQIEISA-N 0 0 321.402 0.982 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000157399334 525320759 /nfs/dbraw/zinc/32/07/59/525320759.db2.gz SOHLBBUUDLNFGJ-YPMHNXCESA-N 0 0 313.361 0.984 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1C ZINC000267583722 525465890 /nfs/dbraw/zinc/46/58/90/525465890.db2.gz FVXYYRFWCMHMDA-UHFFFAOYSA-N 0 0 302.338 0.249 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000123961755 525738334 /nfs/dbraw/zinc/73/83/34/525738334.db2.gz VNYJWACWENQAEP-GFCCVEGCSA-N 0 0 313.357 0.900 10 0 DCAERN COc1cccc(C(=O)NCC(=O)N(C)CC2(CO)CC2)c1 ZINC000189142553 525812357 /nfs/dbraw/zinc/81/23/57/525812357.db2.gz XOTCSPPQCGMWDU-UHFFFAOYSA-N 0 0 306.362 0.656 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@@](O)(C(N)=O)C2)c1 ZINC000285254987 534892101 /nfs/dbraw/zinc/89/21/01/534892101.db2.gz ZGUDHQGWOPFQDT-QFYYESIMSA-N 0 0 319.361 0.138 10 0 DCAERN C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000154768995 526028510 /nfs/dbraw/zinc/02/85/10/526028510.db2.gz ISSFUSZTOMYULB-XGUBFFRZSA-N 0 0 313.442 0.946 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000188887246 526202282 /nfs/dbraw/zinc/20/22/82/526202282.db2.gz RSHNBDUAIUDNFU-VIFPVBQESA-N 0 0 319.390 0.894 10 0 DCAERN Cc1cc(C(=O)N2CCNC(=O)CC2)nc(C(F)(F)F)n1 ZINC000189106418 526254979 /nfs/dbraw/zinc/25/49/79/526254979.db2.gz XWSGOHCJDVDJLE-UHFFFAOYSA-N 0 0 302.256 0.766 10 0 DCAERN Cc1cnn(CCNC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c1 ZINC000190442894 526262512 /nfs/dbraw/zinc/26/25/12/526262512.db2.gz JGBGXFQZAGIMNO-GFCCVEGCSA-N 0 0 314.411 0.410 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000127220926 526262642 /nfs/dbraw/zinc/26/26/42/526262642.db2.gz YDTVLAAWFZYDRA-NSHDSACASA-N 0 0 300.384 0.020 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H]3CC(=O)N(C)C3)C2)c1 ZINC000267527398 526268093 /nfs/dbraw/zinc/26/80/93/526268093.db2.gz XVHOTDFJUHLPBO-STQMWFEESA-N 0 0 305.382 0.769 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2CO)C1 ZINC000132419223 526665504 /nfs/dbraw/zinc/66/55/04/526665504.db2.gz UKDMZXMMMLVQSR-HOCLYGCPSA-N 0 0 317.389 0.909 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCO)C1CCOCC1 ZINC000330916315 526681282 /nfs/dbraw/zinc/68/12/82/526681282.db2.gz ZSOGNYHHLGYBOG-STQMWFEESA-N 0 0 316.423 0.202 10 0 DCAERN O=C(CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CCCC1 ZINC000158045430 526836738 /nfs/dbraw/zinc/83/67/38/526836738.db2.gz VJBOWKYELDNDBF-XJKSGUPXSA-N 0 0 309.410 0.945 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1cnn(-c2ncccn2)c1 ZINC000155158860 526867869 /nfs/dbraw/zinc/86/78/69/526867869.db2.gz OODPSDFGKPWLMW-UHFFFAOYSA-N 0 0 323.316 0.426 10 0 DCAERN Cc1nc2cc(NC(=O)N3CCO[C@H](C(N)=O)C3)ccc2o1 ZINC000157953733 527126507 /nfs/dbraw/zinc/12/65/07/527126507.db2.gz IBWWPLDHHUBJPO-LBPRGKRZSA-N 0 0 304.306 0.854 10 0 DCAERN O=C(C[C@H](O)c1cccc(F)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189422343 527148206 /nfs/dbraw/zinc/14/82/06/527148206.db2.gz VXWAKWPZOMGVMJ-AWEZNQCLSA-N 0 0 306.337 0.986 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000330875951 527154717 /nfs/dbraw/zinc/15/47/17/527154717.db2.gz WROCGGRPBAQZRW-MRXNPFEDSA-N 0 0 306.362 0.490 10 0 DCAERN Cn1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c(=O)[nH]c1=O ZINC000365182710 527171055 /nfs/dbraw/zinc/17/10/55/527171055.db2.gz HWWHVGPTXGFNIW-UHFFFAOYSA-N 0 0 312.289 0.523 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000247444929 527196812 /nfs/dbraw/zinc/19/68/12/527196812.db2.gz YGRXPFDCWFJLMP-IJLUTSLNSA-N 0 0 320.397 0.245 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1O ZINC000331314201 527244419 /nfs/dbraw/zinc/24/44/19/527244419.db2.gz CPAFPDDANBUABO-LLVKDONJSA-N 0 0 306.362 0.733 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188748995 527371044 /nfs/dbraw/zinc/37/10/44/527371044.db2.gz YEGWMONRFFCWRA-ZDUSSCGKSA-N 0 0 320.389 0.793 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000158805529 527492738 /nfs/dbraw/zinc/49/27/38/527492738.db2.gz WMPDCTAQRTWWLA-VXGBXAGGSA-N 0 0 318.381 0.046 10 0 DCAERN O=C(NC1CN(C[C@H](O)COCc2ccccc2F)C1)C1CC1 ZINC000187978378 527543114 /nfs/dbraw/zinc/54/31/14/527543114.db2.gz LPRGKUQZGOZZDT-HNNXBMFYSA-N 0 0 322.380 0.914 10 0 DCAERN Cn1nccc1CCC(=O)NCCC(=O)Nc1ccncc1 ZINC000184560414 527602331 /nfs/dbraw/zinc/60/23/31/527602331.db2.gz XJOBHZWMVVVJSY-UHFFFAOYSA-N 0 0 301.350 0.893 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000186061621 527617992 /nfs/dbraw/zinc/61/79/92/527617992.db2.gz CCVFBPSYKVCBGZ-MRXNPFEDSA-N 0 0 307.394 0.987 10 0 DCAERN Cn1nnc(CN[C@H](CO)c2cccc(Br)c2)n1 ZINC000193480076 527642054 /nfs/dbraw/zinc/64/20/54/527642054.db2.gz XSRUMUHXCDETER-SNVBAGLBSA-N 0 0 312.171 0.796 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187945607 527696203 /nfs/dbraw/zinc/69/62/03/527696203.db2.gz PLEPHEXTSDBLET-MRVPVSSYSA-N 0 0 312.333 0.851 10 0 DCAERN CCO[C@@H]1C[C@@](CO)(NC(=O)CCCCC(N)=O)C1(C)C ZINC000188866449 527866152 /nfs/dbraw/zinc/86/61/52/527866152.db2.gz JIICOEPJTVNORF-ABAIWWIYSA-N 0 0 300.399 0.714 10 0 DCAERN CCN(C1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1)S(C)(=O)=O ZINC000153621486 527874622 /nfs/dbraw/zinc/87/46/22/527874622.db2.gz OYHWKGFJYJEFSI-WCQYABFASA-N 0 0 318.439 0.826 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)NCc2noc(C)n2)C1(C)C ZINC000188935636 528114855 /nfs/dbraw/zinc/11/48/55/528114855.db2.gz BESBSHKESIJQND-HZMBPMFUSA-N 0 0 312.370 0.743 10 0 DCAERN CCNC(=O)NC1(C(=O)N[C@H](C(=O)NC)C(C)C)CCCC1 ZINC000178589508 528173248 /nfs/dbraw/zinc/17/32/48/528173248.db2.gz KVBHTRMYZCGNTQ-NSHDSACASA-N 0 0 312.414 0.505 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000173896070 528212187 /nfs/dbraw/zinc/21/21/87/528212187.db2.gz AMZBOAOQOJLYQD-AWEZNQCLSA-N 0 0 319.471 0.760 10 0 DCAERN CCCN1CCN(C(=O)COCCOCC)C(C)(C)C1=O ZINC000186448321 528238412 /nfs/dbraw/zinc/23/84/12/528238412.db2.gz DSZXRKJXXYHUIR-UHFFFAOYSA-N 0 0 300.399 0.899 10 0 DCAERN CCCc1csc(NC(=O)C(=O)NCCCn2ccnn2)n1 ZINC000193276973 528673233 /nfs/dbraw/zinc/67/32/33/528673233.db2.gz GCWXTQHTEXITAE-UHFFFAOYSA-N 0 0 322.394 0.832 10 0 DCAERN CCC(CC)(CO)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000159214799 528706382 /nfs/dbraw/zinc/70/63/82/528706382.db2.gz CJXXZOZKIKFTTI-VXGBXAGGSA-N 0 0 308.444 0.729 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000151009898 528806806 /nfs/dbraw/zinc/80/68/06/528806806.db2.gz XWRCDCFTHOMEIR-YNEHKIRRSA-N 0 0 318.439 0.826 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H](C)NS(C)(=O)=O)CC[S@]1=O ZINC000186784868 529069795 /nfs/dbraw/zinc/06/97/95/529069795.db2.gz HWSSFHVDGLDTSH-DGIBIBHMSA-N 0 0 324.468 0.074 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)C1=O ZINC000246717936 529080883 /nfs/dbraw/zinc/08/08/83/529080883.db2.gz MLTBQERBVAOKFV-SOUVJXGZSA-N 0 0 317.389 0.953 10 0 DCAERN CC1(C)CN(C[C@@H](O)COCc2ccco2)CCS1(=O)=O ZINC000154664450 529122593 /nfs/dbraw/zinc/12/25/93/529122593.db2.gz NZRCUSPHLALQTR-GFCCVEGCSA-N 0 0 317.407 0.666 10 0 DCAERN CC(C)NC(=O)CN1CCN(c2nccnc2OC(C)C)CC1 ZINC000302012321 529129997 /nfs/dbraw/zinc/12/99/97/529129997.db2.gz CZFXEZRIFXPLAA-UHFFFAOYSA-N 0 0 321.425 0.910 10 0 DCAERN CCN1C[C@H](NC(=O)NC[C@@H](CO)c2ccccc2)CC1=O ZINC000459031197 535782195 /nfs/dbraw/zinc/78/21/95/535782195.db2.gz QEXXEWBDKMDPDI-UONOGXRCSA-N 0 0 305.378 0.683 10 0 DCAERN CN(CCNC(=O)NC[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000457564509 536379322 /nfs/dbraw/zinc/37/93/22/536379322.db2.gz YJQFFKDDGWSZES-CQSZACIVSA-N 0 0 318.381 0.075 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000457669576 536882561 /nfs/dbraw/zinc/88/25/61/536882561.db2.gz XNIULDRJFCTIOQ-OLZOCXBDSA-N 0 0 320.345 0.544 10 0 DCAERN [NH3+][C@@](Cn1cc(I)cn1)(C(=O)[O-])C1CC1 ZINC000070678531 545661602 /nfs/dbraw/zinc/66/16/02/545661602.db2.gz SRTUBZQCYUYTMM-SECBINFHSA-N 0 0 321.118 0.680 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1CN(C)CCO1 ZINC000074775087 545670974 /nfs/dbraw/zinc/67/09/74/545670974.db2.gz FEZZBURHJXLLIA-LLVKDONJSA-N 0 0 303.384 0.243 10 0 DCAERN O=C1CCN(C[C@@H](O)CN2CCOCC2)c2ccccc2N1 ZINC000121980388 545749852 /nfs/dbraw/zinc/74/98/52/545749852.db2.gz GNSPOYWWNVWDAZ-ZDUSSCGKSA-N 0 0 305.378 0.528 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(Cc3cncnc3)CC2)no1 ZINC000123112218 545753506 /nfs/dbraw/zinc/75/35/06/545753506.db2.gz YVTUFHUBHMMGGL-UHFFFAOYSA-N 0 0 316.365 0.529 10 0 DCAERN Cc1cc(F)c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1F ZINC000131354405 545791994 /nfs/dbraw/zinc/79/19/94/545791994.db2.gz PGHUCQVBJGGBSJ-UHFFFAOYSA-N 0 0 309.272 0.923 10 0 DCAERN O=C(CC[C@@H]1CCCCO1)NC[C@H](O)CN1CCOCC1 ZINC000132358798 545793194 /nfs/dbraw/zinc/79/31/94/545793194.db2.gz RQRYIAWGVAAIND-KBPBESRZSA-N 0 0 300.399 0.145 10 0 DCAERN Cc1cccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n1 ZINC000154769944 545840271 /nfs/dbraw/zinc/84/02/71/545840271.db2.gz XUVSLTSKWQVBFR-GFCCVEGCSA-N 0 0 313.423 0.970 10 0 DCAERN C[C@@H](CNS(=O)(=O)CC[C@@H]1CCCO1)N1CCOCC1 ZINC000157089462 545849351 /nfs/dbraw/zinc/84/93/51/545849351.db2.gz KGGSCUXUKYUTJS-STQMWFEESA-N 0 0 306.428 0.196 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000157093704 545849983 /nfs/dbraw/zinc/84/99/83/545849983.db2.gz LBPLRBZDHFZJNU-IONNQARKSA-N 0 0 304.393 0.232 10 0 DCAERN Cc1cccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1O ZINC000174940175 545885825 /nfs/dbraw/zinc/88/58/25/545885825.db2.gz XBMYTIGIJGTHER-UHFFFAOYSA-N 0 0 313.317 0.783 10 0 DCAERN CCc1nc(C2(NC(=O)[C@@H]3CC(=O)N(C)C3)CCCC2)no1 ZINC000175134820 545886754 /nfs/dbraw/zinc/88/67/54/545886754.db2.gz XXSCFIYAQUMJIB-SNVBAGLBSA-N 0 0 306.366 0.996 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000179457470 545898897 /nfs/dbraw/zinc/89/88/97/545898897.db2.gz WKZIQSMIJCDBMS-OLZOCXBDSA-N 0 0 312.391 0.676 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCOCC1 ZINC000180024266 545900303 /nfs/dbraw/zinc/90/03/03/545900303.db2.gz XMYNRUPKTSFXJV-KBPBESRZSA-N 0 0 305.378 0.951 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)Cc1nnc(C2CCC2)n1C ZINC000181328074 545902964 /nfs/dbraw/zinc/90/29/64/545902964.db2.gz GNSNUWVTIKCEHE-JTQLQIEISA-N 0 0 300.428 0.948 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCn1ccnn1 ZINC000185073597 545912107 /nfs/dbraw/zinc/91/21/07/545912107.db2.gz GNGZBRDDSZRKEQ-GFCCVEGCSA-N 0 0 316.365 0.995 10 0 DCAERN O=C(NCCc1cnc(C2CC2)nc1)N[C@H]1CCCCNC1=O ZINC000240225369 545960987 /nfs/dbraw/zinc/96/09/87/545960987.db2.gz DHMLYJYDGREHPN-ZDUSSCGKSA-N 0 0 317.393 0.864 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)no1 ZINC000246101336 545963253 /nfs/dbraw/zinc/96/32/53/545963253.db2.gz WKKIDNJYGQQMMX-DGCLKSJQSA-N 0 0 308.382 0.980 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000249039109 545971018 /nfs/dbraw/zinc/97/10/18/545971018.db2.gz YQNJWOJFQWNZRT-GWZLXJJCSA-N 0 0 314.385 0.813 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000275510624 545993895 /nfs/dbraw/zinc/99/38/95/545993895.db2.gz AXOCGFKKVHTHIK-SWLSCSKDSA-N 0 0 322.434 0.377 10 0 DCAERN CO[C@@H](C)c1nsc(NCC(C)(C)NS(C)(=O)=O)n1 ZINC000311703104 546023434 /nfs/dbraw/zinc/02/34/34/546023434.db2.gz IFPXHZSPMPPLHW-ZETCQYMHSA-N 0 0 308.429 0.985 10 0 DCAERN Cc1nc(C)c(Br)c(N2CC[C@@](O)(C(N)=O)C2)n1 ZINC000323126157 546036151 /nfs/dbraw/zinc/03/61/51/546036151.db2.gz UYWIOSVEIDJXAX-NSHDSACASA-N 0 0 315.171 0.282 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000332902416 546065125 /nfs/dbraw/zinc/06/51/25/546065125.db2.gz PSLZDGXCPUWKPA-UKRRQHHQSA-N 0 0 323.437 0.614 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)N[C@@H](CO)c1ccccc1)CCCC2 ZINC000333575761 546085519 /nfs/dbraw/zinc/08/55/19/546085519.db2.gz QLINTYNLUPHPDY-ZDUSSCGKSA-N 0 0 315.373 0.987 10 0 DCAERN CC1(C)C[C@H]1c1noc(CN2CCN(S(C)(=O)=O)CC2)n1 ZINC000349958827 546160332 /nfs/dbraw/zinc/16/03/32/546160332.db2.gz HYNJAXRALRHJOK-JTQLQIEISA-N 0 0 314.411 0.660 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)N2CCCC[C@@H]2C)C1 ZINC000401906635 546225925 /nfs/dbraw/zinc/22/59/25/546225925.db2.gz UDXWMOYLFAKPNV-STQMWFEESA-N 0 0 306.428 0.579 10 0 DCAERN CC1CCC(OCC(=O)N2CC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000671498595 547226944 /nfs/dbraw/zinc/22/69/44/547226944.db2.gz DWRWWKSPMJGOON-XUJLQICISA-N 0 0 322.409 0.837 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000089904393 658398742 /nfs/dbraw/zinc/39/87/42/658398742.db2.gz KXFBFZPYQXETGM-QWRGUYRKSA-N 0 0 300.384 0.006 10 0 DCAERN COC(=O)c1nc(C(=O)N2CCSC[C@@H]2CCO)cs1 ZINC000721386958 660728032 /nfs/dbraw/zinc/72/80/32/660728032.db2.gz ZUCPJSWKLYWTBV-QMMMGPOBSA-N 0 0 316.404 0.870 10 0 DCAERN CCN1CCC[C@@H](NS(=O)(=O)c2cccnc2F)C1=O ZINC000722349202 660909747 /nfs/dbraw/zinc/90/97/47/660909747.db2.gz NKDMUTIKWIBQLH-SECBINFHSA-N 0 0 301.343 0.510 10 0 DCAERN Cn1cc(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cn1 ZINC000726002230 661035970 /nfs/dbraw/zinc/03/59/70/661035970.db2.gz SEJFMJXHGPECAC-UHFFFAOYSA-N 0 0 317.301 0.873 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@H]3C[C@H]3C)CC2)n[nH]1 ZINC000888094453 661160006 /nfs/dbraw/zinc/16/00/06/661160006.db2.gz RBADPEPHROBDTJ-MWLCHTKSSA-N 0 0 305.382 0.916 10 0 DCAERN Cc1ccncc1S(=O)(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000888098698 661177644 /nfs/dbraw/zinc/17/76/44/661177644.db2.gz KCIKZSBQXMQPRQ-CHWSQXEVSA-N 0 0 312.391 0.598 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000180584993 665445132 /nfs/dbraw/zinc/44/51/32/665445132.db2.gz UYRDSFNXLPJEFX-RKDXNWHRSA-N 0 0 307.803 0.773 10 0 DCAERN CC(C)[C@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000069043755 665462595 /nfs/dbraw/zinc/46/25/95/665462595.db2.gz JKPQVOFABHDTLF-LBPRGKRZSA-N 0 0 319.471 0.839 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccccn1 ZINC000181262022 665513377 /nfs/dbraw/zinc/51/33/77/665513377.db2.gz UDFCUBSEKRBTHO-LLVKDONJSA-N 0 0 312.395 0.729 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1C ZINC000168649780 657957015 /nfs/dbraw/zinc/95/70/15/657957015.db2.gz KVQUUBLHPWCQNC-LLVKDONJSA-N 0 0 301.364 0.385 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC[C@H]1CO ZINC000168678061 657964585 /nfs/dbraw/zinc/96/45/85/657964585.db2.gz DEJJCGVWDFERQQ-CQSZACIVSA-N 0 0 311.403 0.947 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CC12CC(O)C2 ZINC000724990464 657987042 /nfs/dbraw/zinc/98/70/42/657987042.db2.gz MHAMMAREKWYZME-QAHKDPLZSA-N 0 0 317.388 0.726 10 0 DCAERN O=C(C[C@H]1CNCCS1(=O)=O)NCCC1CCCCC1 ZINC000725016408 658021005 /nfs/dbraw/zinc/02/10/05/658021005.db2.gz GDHXVEUUFIQFIY-ZDUSSCGKSA-N 0 0 302.440 0.850 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OC ZINC000724193151 658044414 /nfs/dbraw/zinc/04/44/14/658044414.db2.gz NMHQSMJWKMCLSC-SFYZADRCSA-N 0 0 320.392 0.728 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1cccnc1 ZINC000160463375 658083548 /nfs/dbraw/zinc/08/35/48/658083548.db2.gz OYXZDGKLDDPELP-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN Cn1cc(/C=C\C(=O)Oc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000255217256 658216233 /nfs/dbraw/zinc/21/62/33/658216233.db2.gz VIBPJMOEBKQOFJ-BAQGIRSFSA-N 0 0 304.277 0.842 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000181373734 665561726 /nfs/dbraw/zinc/56/17/26/665561726.db2.gz FQQNFXDWTWIYMH-VXGBXAGGSA-N 0 0 306.366 0.188 10 0 DCAERN COc1cc(F)c(S(=O)(=O)N[C@H](C)[C@H](C)O)cc1OC ZINC000344913376 658444104 /nfs/dbraw/zinc/44/41/04/658444104.db2.gz GSNYWXBZMNGUKW-SFYZADRCSA-N 0 0 307.343 0.891 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCC[C@H]1CO ZINC000300407991 658468201 /nfs/dbraw/zinc/46/82/01/658468201.db2.gz AAIIZEXXNJDTDA-QJPTWQEYSA-N 0 0 321.464 0.574 10 0 DCAERN Cn1cc(/C=C\C(=O)OCC(F)(F)C(F)F)c(=O)n(C)c1=O ZINC000255770905 658563488 /nfs/dbraw/zinc/56/34/88/658563488.db2.gz LPJOMRGKZCZGRS-ARJAWSKDSA-N 0 0 324.230 0.541 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@H]2CSC(=O)N2)CC1)C(F)(F)F ZINC000177106806 658650411 /nfs/dbraw/zinc/65/04/11/658650411.db2.gz YTXGKFGHXBZJBO-JGVFFNPUSA-N 0 0 311.329 0.906 10 0 DCAERN CCc1cnccc1NC(=O)[C@H]1Cn2c(C)nnc2CN1C ZINC000888076433 658712976 /nfs/dbraw/zinc/71/29/76/658712976.db2.gz KHPIFWZPPKOIMH-CYBMUJFWSA-N 0 0 300.366 0.419 10 0 DCAERN CNc1ccc(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)cn1 ZINC000888078048 658722062 /nfs/dbraw/zinc/72/20/62/658722062.db2.gz HBIBPOBGEPCTNM-WCQYABFASA-N 0 0 316.365 0.506 10 0 DCAERN COc1nccc(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078321 658725994 /nfs/dbraw/zinc/72/59/94/658725994.db2.gz JHAHPSKFHHBGBC-WCQYABFASA-N 0 0 304.354 0.228 10 0 DCAERN C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CC1 ZINC000066547387 658845765 /nfs/dbraw/zinc/84/57/65/658845765.db2.gz KVQPPRROSVLYRJ-QMMMGPOBSA-N 0 0 303.318 0.588 10 0 DCAERN Cc1cc(NC(=O)C(=O)NCCCn2ccnn2)cnc1Cl ZINC000181778269 659073828 /nfs/dbraw/zinc/07/38/28/659073828.db2.gz KRIXGKKNQMVOGC-UHFFFAOYSA-N 0 0 322.756 0.780 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CC(F)(F)C(F)(F)C2)cn1 ZINC000313314052 659098613 /nfs/dbraw/zinc/09/86/13/659098613.db2.gz NTBLOMOBRROYGM-UHFFFAOYSA-N 0 0 300.237 0.334 10 0 DCAERN CC(C)(C)SCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000040218668 659470280 /nfs/dbraw/zinc/47/02/80/659470280.db2.gz LDZCWPXUNRNWAB-SNVBAGLBSA-N 0 0 323.484 0.550 10 0 DCAERN Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000194084339 659478076 /nfs/dbraw/zinc/47/80/76/659478076.db2.gz PPZLIRGJKVZZCP-SECBINFHSA-N 0 0 322.390 0.764 10 0 DCAERN O=C(c1ccn(CC(F)F)n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000194209421 659488067 /nfs/dbraw/zinc/48/80/67/659488067.db2.gz OHAFNQCKSYSTRV-LLVKDONJSA-N 0 0 314.336 0.695 10 0 DCAERN O=c1ccc(-c2ccccc2F)nn1CN1CCNC(=O)CC1 ZINC000066792384 659560473 /nfs/dbraw/zinc/56/04/73/659560473.db2.gz FWHKRWKUEROJDK-UHFFFAOYSA-N 0 0 316.336 0.829 10 0 DCAERN C[C@H]1COCCN1C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000332764232 659749626 /nfs/dbraw/zinc/74/96/26/659749626.db2.gz GOFYKSNTNXCGAS-QWRGUYRKSA-N 0 0 321.381 0.759 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000333127406 659769541 /nfs/dbraw/zinc/76/95/41/659769541.db2.gz ICYLQHBJIPYKTM-LBPRGKRZSA-N 0 0 317.393 0.795 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1C ZINC000094855549 661299670 /nfs/dbraw/zinc/29/96/70/661299670.db2.gz GUIRVHXLGCNKIU-VHSXEESVSA-N 0 0 310.375 0.745 10 0 DCAERN O=C1C[C@H](c2ccccn2)CN1CN1CCO[C@@]2(CCOC2)C1 ZINC000248993544 661538546 /nfs/dbraw/zinc/53/85/46/661538546.db2.gz LMZVLGGIVXTZKR-YOEHRIQHSA-N 0 0 317.389 0.846 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(CCCO)Cc1ccccn1 ZINC000358340991 665777654 /nfs/dbraw/zinc/77/76/54/665777654.db2.gz SEXSROBCMDJCNT-AWEZNQCLSA-N 0 0 323.418 0.714 10 0 DCAERN CCn1cc(NC(=S)NNC(=S)N2CCOCC2)cn1 ZINC000726121493 661652016 /nfs/dbraw/zinc/65/20/16/661652016.db2.gz AWXBHMVUCZMSAB-UHFFFAOYSA-N 0 0 314.440 0.311 10 0 DCAERN Cn1cc(/C=C\C(=O)OCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000054148654 661661047 /nfs/dbraw/zinc/66/10/47/661661047.db2.gz NIGFXKQBDQWNBQ-YVMONPNESA-N 0 0 318.304 0.980 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000338949609 661809229 /nfs/dbraw/zinc/80/92/29/661809229.db2.gz CZWTVLBPZUYUAD-QMMMGPOBSA-N 0 0 314.392 0.031 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(Cc2ccon2)CC1)C1CC1 ZINC000126779269 662054971 /nfs/dbraw/zinc/05/49/71/662054971.db2.gz PAEJNBWXCKTXRZ-CQSZACIVSA-N 0 0 308.382 0.927 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000896212654 662252813 /nfs/dbraw/zinc/25/28/13/662252813.db2.gz MHBRKWIFPFVLDN-CQSZACIVSA-N 0 0 308.426 0.842 10 0 DCAERN CC(=O)CCN1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000728574494 662406515 /nfs/dbraw/zinc/40/65/15/662406515.db2.gz COWMAHHQLXJEMB-UHFFFAOYSA-N 0 0 317.436 0.737 10 0 DCAERN CS(=O)(=O)CCCOC(=O)COc1ccccc1C(N)=O ZINC000728619042 662407895 /nfs/dbraw/zinc/40/78/95/662407895.db2.gz CXELDDNJRGIQJU-UHFFFAOYSA-N 0 0 315.347 0.142 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000341557952 662415703 /nfs/dbraw/zinc/41/57/03/662415703.db2.gz NXBSQYFNCCUKLA-LBPRGKRZSA-N 0 0 323.374 0.411 10 0 DCAERN O=C(c1cccc(F)n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179083772 662454914 /nfs/dbraw/zinc/45/49/14/662454914.db2.gz JYJMDWRURPQMDS-GFCCVEGCSA-N 0 0 321.352 0.932 10 0 DCAERN CN(C)c1ccc(NC(=S)NCCS(C)(=O)=O)cn1 ZINC000729156030 662639036 /nfs/dbraw/zinc/63/90/36/662639036.db2.gz HXEUMOBLUCSURM-UHFFFAOYSA-N 0 0 302.425 0.479 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1CC(F)F ZINC000343439569 662834138 /nfs/dbraw/zinc/83/41/38/662834138.db2.gz KWPCMWBOUOMPDN-VHSXEESVSA-N 0 0 308.350 0.790 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000729448861 662888968 /nfs/dbraw/zinc/88/89/68/662888968.db2.gz DPDLOZACRMVVOY-GMXVVIOVSA-N 0 0 315.439 0.133 10 0 DCAERN CC(C)[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)N(C)C ZINC000729699921 662907468 /nfs/dbraw/zinc/90/74/68/662907468.db2.gz PUZDEXSYONUSAQ-ZYHUDNBSSA-N 0 0 303.380 0.591 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Oc1cccc(F)c1)c2=O ZINC000054564164 662967694 /nfs/dbraw/zinc/96/76/94/662967694.db2.gz QHLIZYMTXUSVNH-UHFFFAOYSA-N 0 0 302.265 0.875 10 0 DCAERN C[C@H](O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000344896986 663079960 /nfs/dbraw/zinc/07/99/60/663079960.db2.gz FAQXOZBMXZQCMX-UWVGGRQHSA-N 0 0 301.364 0.896 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433253 663090618 /nfs/dbraw/zinc/09/06/18/663090618.db2.gz PSWAZPDKHYIROL-NEPJUHHUSA-N 0 0 303.428 0.084 10 0 DCAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H](C)O ZINC000346509361 663202535 /nfs/dbraw/zinc/20/25/35/663202535.db2.gz OLGFPUNSPFMVMM-ZJUUUORDSA-N 0 0 300.380 0.436 10 0 DCAERN COc1ccccc1/C=C\CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000255454870 663214820 /nfs/dbraw/zinc/21/48/20/663214820.db2.gz OFFVLIJTUZKNPL-KXQLTZBTSA-N 0 0 315.373 0.351 10 0 DCAERN C/C=C\[C@@H](O)C(=O)N1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1 ZINC000908104812 663733756 /nfs/dbraw/zinc/73/37/56/663733756.db2.gz VNLRDJOZNDUOMR-REBNAPPDSA-N 0 0 307.394 0.935 10 0 DCAERN O=C(CSCC(F)(F)F)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909177288 663783860 /nfs/dbraw/zinc/78/38/60/663783860.db2.gz YWSSVYWUONBHTJ-NQMVMOMDSA-N 0 0 309.313 0.969 10 0 DCAERN O=C(c1ccc(O[C@H]2CCOC2)cc1)N1CCOC[C@@H]1CO ZINC000912424569 664174650 /nfs/dbraw/zinc/17/46/50/664174650.db2.gz GDMICXUEDKQOQA-ZFWWWQNUSA-N 0 0 307.346 0.688 10 0 DCAERN O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCCC[C@@H]1CO ZINC000151035009 664255329 /nfs/dbraw/zinc/25/53/29/664255329.db2.gz CAIWNHNRNCRUIE-BDAKNGLRSA-N 0 0 312.288 0.942 10 0 DCAERN NC(=O)C1(O)CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000913071059 664262203 /nfs/dbraw/zinc/26/22/03/664262203.db2.gz JNDDUOFNTCCJDH-OLZOCXBDSA-N 0 0 304.346 0.213 10 0 DCAERN COC(CNC(=O)[C@H]1CN(C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221550 664291628 /nfs/dbraw/zinc/29/16/28/664291628.db2.gz UQIXZDGTTNAEOO-DZGCQCFKSA-N 0 0 322.405 0.968 10 0 DCAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)N1CCCCC1 ZINC000055042581 664363350 /nfs/dbraw/zinc/36/33/50/664363350.db2.gz ASQVPYLAJNPHEN-HNNXBMFYSA-N 0 0 316.405 0.785 10 0 DCAERN C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000044781994 664370914 /nfs/dbraw/zinc/37/09/14/664370914.db2.gz OCULSXRJKLNAPE-RYUDHWBXSA-N 0 0 322.409 0.513 10 0 DCAERN CON(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223370736 664407870 /nfs/dbraw/zinc/40/78/70/664407870.db2.gz VVTHVMMSPQQXQJ-NSHDSACASA-N 0 0 306.318 0.926 10 0 DCAERN O=C(NCCO)[C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 ZINC000223388140 664408431 /nfs/dbraw/zinc/40/84/31/664408431.db2.gz XLXUVLDJFRDLID-CQSZACIVSA-N 0 0 301.346 0.767 10 0 DCAERN CCc1ccc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)s1 ZINC000225356608 664473550 /nfs/dbraw/zinc/47/35/50/664473550.db2.gz SNMGLHSYWTWXGF-JTQLQIEISA-N 0 0 316.448 0.703 10 0 DCAERN CCn1nc(C)c(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)c1Cl ZINC000157531828 664477603 /nfs/dbraw/zinc/47/76/03/664477603.db2.gz CLFVRTILILYWTI-APPZFPTMSA-N 0 0 314.773 0.580 10 0 DCAERN C=CCNC(=O)COC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000058359107 664486273 /nfs/dbraw/zinc/48/62/73/664486273.db2.gz IAZVFEMOFIKHSM-UHFFFAOYSA-N 0 0 318.376 0.163 10 0 DCAERN C#CCOC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000058756677 664507360 /nfs/dbraw/zinc/50/73/60/664507360.db2.gz AXJGJMIWVNPOTN-UHFFFAOYSA-N 0 0 318.148 0.887 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1ccccn1 ZINC000172404480 664620748 /nfs/dbraw/zinc/62/07/48/664620748.db2.gz YAXHKXGKOVVHEU-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCCOC(C)(C)C)c2=O ZINC000063954071 664638710 /nfs/dbraw/zinc/63/87/10/664638710.db2.gz HHEKGYMTIXNWBZ-UHFFFAOYSA-N 0 0 308.338 0.488 10 0 DCAERN O=C(Nc1cnc(Br)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000088448167 664670613 /nfs/dbraw/zinc/67/06/13/664670613.db2.gz OTBSSNMTLUQYME-LURJTMIESA-N 0 0 320.168 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000730307590 664681653 /nfs/dbraw/zinc/68/16/53/664681653.db2.gz CNNLBYYKYNAMSZ-QWRGUYRKSA-N 0 0 302.396 0.564 10 0 DCAERN C[C@H]1CN(Cn2nc(C3CC3)n(C)c2=S)CCS1(=O)=O ZINC000151597238 664707939 /nfs/dbraw/zinc/70/79/39/664707939.db2.gz FXHNTUWOYMGULF-VIFPVBQESA-N 0 0 316.452 0.905 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)COC(=O)C1=COCCC1)C(=O)OC ZINC000730850612 664820678 /nfs/dbraw/zinc/82/06/78/664820678.db2.gz BTLCQBBCQIRDEJ-GXFFZTMASA-N 0 0 313.350 0.928 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H](CO)c1cccc(F)c1 ZINC000741423078 664841881 /nfs/dbraw/zinc/84/18/81/664841881.db2.gz RDZINAONHHHTDF-MPBGBICISA-N 0 0 302.371 0.927 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCC(=O)NCC1CCC1 ZINC000731239106 664847395 /nfs/dbraw/zinc/84/73/95/664847395.db2.gz GGLNAAMTYCPTLB-UHFFFAOYSA-N 0 0 320.345 0.624 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCOC[C@H]1CCOC1 ZINC000731652907 664875622 /nfs/dbraw/zinc/87/56/22/664875622.db2.gz RJGFYQRLCCNFQE-RYUDHWBXSA-N 0 0 302.396 0.077 10 0 DCAERN C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(F)(F)F ZINC000174933534 665309438 /nfs/dbraw/zinc/30/94/38/665309438.db2.gz ZMXUNSVGGHQQCO-ZCFIWIBFSA-N 0 0 304.228 0.624 10 0 DCAERN CCC1(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)CCCC1 ZINC000232988127 665310161 /nfs/dbraw/zinc/31/01/61/665310161.db2.gz ANAXJPNVQRYDAZ-GFCCVEGCSA-N 0 0 302.440 0.850 10 0 DCAERN CC[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000233941307 665332146 /nfs/dbraw/zinc/33/21/46/665332146.db2.gz NZCMVBPWEFBZOW-UWVGGRQHSA-N 0 0 318.420 0.827 10 0 DCAERN CC(C)[C@H](C)CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000179571519 665383625 /nfs/dbraw/zinc/38/36/25/665383625.db2.gz IFOPGLZFYZCOPL-GFCCVEGCSA-N 0 0 306.428 0.952 10 0 DCAERN C=C(C)C[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000186299014 665388380 /nfs/dbraw/zinc/38/83/80/665388380.db2.gz SZKZTPBLPULCOW-VXGBXAGGSA-N 0 0 312.391 0.555 10 0 DCAERN Cn1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000183967340 666161170 /nfs/dbraw/zinc/16/11/70/666161170.db2.gz QNSWCEVELZFPLU-UONOGXRCSA-N 0 0 319.361 0.907 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081491908 666253616 /nfs/dbraw/zinc/25/36/16/666253616.db2.gz HRRAZCFSRKJHGI-SECBINFHSA-N 0 0 318.317 0.130 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nn(C)cc1Cl ZINC000452746045 666255009 /nfs/dbraw/zinc/25/50/09/666255009.db2.gz ZPSRYOCUOMMUPO-SNVBAGLBSA-N 0 0 302.787 0.611 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCO[C@H](C)C1 ZINC000081567715 666281069 /nfs/dbraw/zinc/28/10/69/666281069.db2.gz IJTHMRKLAJRRJI-NEPJUHHUSA-N 0 0 300.399 0.896 10 0 DCAERN Cn1nccc1CCC(=O)OCc1cccc(OCC(N)=O)c1 ZINC000184990753 666315013 /nfs/dbraw/zinc/31/50/13/666315013.db2.gz CDGBGDOOLYKPOP-UHFFFAOYSA-N 0 0 317.345 0.960 10 0 DCAERN CN(CC(=O)O[C@H]1CCN(CC(F)(F)F)C1)S(C)(=O)=O ZINC000185161167 666357160 /nfs/dbraw/zinc/35/71/60/666357160.db2.gz DHTZIDXLWFXFNU-QMMMGPOBSA-N 0 0 318.317 0.058 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCO[C@H](C)C2)CC[S@]1=O ZINC000185287588 666400293 /nfs/dbraw/zinc/40/02/93/666400293.db2.gz BINPVNHZRPPDTL-LRTDBIEQSA-N 0 0 316.467 0.857 10 0 DCAERN COc1cc(N2CCN(CN3C[C@@H](C)CC3=O)CC2)ncn1 ZINC000185609090 666528671 /nfs/dbraw/zinc/52/86/71/666528671.db2.gz ZUWXSSRTJBOHPV-LBPRGKRZSA-N 0 0 305.382 0.433 10 0 DCAERN O=C(CC1CCCC1)NCCNC(=O)[C@@]1(O)CCSC1 ZINC000132682541 666592494 /nfs/dbraw/zinc/59/24/94/666592494.db2.gz OMEDPKILBNACAO-CQSZACIVSA-N 0 0 300.424 0.667 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCCn1ccccc1=O ZINC000733424072 666644927 /nfs/dbraw/zinc/64/49/27/666644927.db2.gz RWZDBDRTDGKZOD-UHFFFAOYSA-N 0 0 316.313 0.569 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cccnc1N1CCOCC1 ZINC000733881100 666823850 /nfs/dbraw/zinc/82/38/50/666823850.db2.gz YWGJQSDVPMGGAG-OAQYLSRUSA-N 0 0 311.407 0.417 10 0 DCAERN CCOC(=O)N1CCC(C(=O)NCC[S@@](=O)CC)CC1 ZINC000733961936 666832182 /nfs/dbraw/zinc/83/21/82/666832182.db2.gz JASZQXQSXMZQFD-FQEVSTJZSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000733960726 666832384 /nfs/dbraw/zinc/83/23/84/666832384.db2.gz MILOFLWLRKDGDU-LJQANCHMSA-N 0 0 317.432 0.897 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000733963780 666832664 /nfs/dbraw/zinc/83/26/64/666832664.db2.gz IUAKOPVWFCBBMT-NRFANRHFSA-N 0 0 308.359 0.411 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000733964431 666832701 /nfs/dbraw/zinc/83/27/01/666832701.db2.gz PEUUKZYGTOVXJS-LAJNKCICSA-N 0 0 310.375 0.661 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000733965682 666833219 /nfs/dbraw/zinc/83/32/19/666833219.db2.gz HPCZQAPTFKKYFQ-FQEVSTJZSA-N 0 0 313.404 0.343 10 0 DCAERN CN(C)c1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)cc(Cl)n1 ZINC000733971540 666833573 /nfs/dbraw/zinc/83/35/73/666833573.db2.gz LNSNNRCLDVDDMH-VIFPVBQESA-N 0 0 311.773 0.684 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCc1cn2c(n1)CCCC2 ZINC000735090619 666949857 /nfs/dbraw/zinc/94/98/57/666949857.db2.gz FOAIMIAKRQTTRF-NRFANRHFSA-N 0 0 312.439 0.830 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)c1ccccc1F ZINC000735113663 666955156 /nfs/dbraw/zinc/95/51/56/666955156.db2.gz VHJPHZDDKTYFFR-FKIZINRSSA-N 0 0 302.371 0.927 10 0 DCAERN CO[C@@](C)(CO)CNC(=O)c1cccnc1Br ZINC000702517494 666963971 /nfs/dbraw/zinc/96/39/71/666963971.db2.gz LPBIGQMDCWJYBE-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN COCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815995 666998787 /nfs/dbraw/zinc/99/87/87/666998787.db2.gz VIHUJQDVMVJZEQ-WDEREUQCSA-N 0 0 302.371 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)[C@H]2CCCO2)[C@H](O)C1 ZINC000702817673 667000019 /nfs/dbraw/zinc/00/00/19/667000019.db2.gz UCLHJVDZWRLWIQ-IJLUTSLNSA-N 0 0 314.382 0.509 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000702840368 667010396 /nfs/dbraw/zinc/01/03/96/667010396.db2.gz CMPPONMKUIYMME-KOLCDFICSA-N 0 0 320.411 0.296 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)c(N)c2)C1 ZINC000703012792 667030017 /nfs/dbraw/zinc/03/00/17/667030017.db2.gz VMQCRBDXEZHKJK-SECBINFHSA-N 0 0 301.343 0.172 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Br)nc1 ZINC000706798365 667423594 /nfs/dbraw/zinc/42/35/94/667423594.db2.gz BLGZCFALEZRRAJ-DTWKUNHWSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cccnc1Br ZINC000706798609 667423600 /nfs/dbraw/zinc/42/36/00/667423600.db2.gz RXALJBBJWLLOSB-IUCAKERBSA-N 0 0 301.140 0.724 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057147 667430923 /nfs/dbraw/zinc/43/09/23/667430923.db2.gz QHJQQWOQONVGLA-DTWKUNHWSA-N 0 0 310.734 0.302 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1O ZINC000707056562 667430932 /nfs/dbraw/zinc/43/09/32/667430932.db2.gz OAYCAROHZNWRCI-BDAKNGLRSA-N 0 0 306.771 0.472 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708242497 667442484 /nfs/dbraw/zinc/44/24/84/667442484.db2.gz XMCINPIUDUPJEM-LBPRGKRZSA-N 0 0 304.412 0.138 10 0 DCAERN CCC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000708482238 667441849 /nfs/dbraw/zinc/44/18/49/667441849.db2.gz XVQBPIROFFDRLM-CHWSQXEVSA-N 0 0 302.440 0.802 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)C1CCC(=O)CC1 ZINC000708240904 667442362 /nfs/dbraw/zinc/44/23/62/667442362.db2.gz KVFRWFUMDDYPTK-LLVKDONJSA-N 0 0 304.412 0.138 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1csc(Cl)n1 ZINC000708241611 667442451 /nfs/dbraw/zinc/44/24/51/667442451.db2.gz KINCVIJJPABZDI-UHFFFAOYSA-N 0 0 311.816 0.854 10 0 DCAERN O=S(=O)(N1CCNCC1)N1CCCC[C@H]1c1nccs1 ZINC000710537244 667445785 /nfs/dbraw/zinc/44/57/85/667445785.db2.gz KBNYDUNOELTBGB-NSHDSACASA-N 0 0 316.452 0.820 10 0 DCAERN O=C(N[C@@H]1COCC[C@H]1O)c1ncsc1Br ZINC000710854682 667446791 /nfs/dbraw/zinc/44/67/91/667446791.db2.gz RZWWQBWCBJYQPX-PHDIDXHHSA-N 0 0 307.169 0.785 10 0 DCAERN O=c1n(CN2CCO[C@@H](c3cccs3)C2)nc2cnccn21 ZINC000133720473 667474171 /nfs/dbraw/zinc/47/41/71/667474171.db2.gz OKZJFGZJPZSJBO-LLVKDONJSA-N 0 0 317.374 0.984 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)COc1cccc(Br)c1 ZINC000717304308 667543791 /nfs/dbraw/zinc/54/37/91/667543791.db2.gz MBOGJVGRUHBXPU-KWQFWETISA-N 0 0 318.167 0.686 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000134702196 667551365 /nfs/dbraw/zinc/55/13/65/667551365.db2.gz RYPCTNDGGUSVJE-VIFPVBQESA-N 0 0 322.818 0.073 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000737719658 667631373 /nfs/dbraw/zinc/63/13/73/667631373.db2.gz ODPLHOBQHJMJEX-NSHDSACASA-N 0 0 318.362 0.522 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000886026737 667725291 /nfs/dbraw/zinc/72/52/91/667725291.db2.gz SDIIJVRKBWLJBT-DZGCQCFKSA-N 0 0 303.366 0.949 10 0 DCAERN Cn1cncc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCCN1C ZINC000886048155 667726799 /nfs/dbraw/zinc/72/67/99/667726799.db2.gz AGFXISFKEDWYIS-SMDDNHRTSA-N 0 0 312.439 0.885 10 0 DCAERN Cc1cnc(N2CCC[C@](O)(Cc3nncn3C)C2)nc1C ZINC000886065375 667728114 /nfs/dbraw/zinc/72/81/14/667728114.db2.gz BNORHNYLVGVDMV-HNNXBMFYSA-N 0 0 302.382 0.796 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)Nc2cc(N(C)C)ncn2)C1=O ZINC000886077861 667729198 /nfs/dbraw/zinc/72/91/98/667729198.db2.gz KGZXGGYWAZHVNI-LLVKDONJSA-N 0 0 321.381 0.509 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000740916476 667754153 /nfs/dbraw/zinc/75/41/53/667754153.db2.gz DHXZUVGHYXOVOZ-QQKBFRNYSA-N 0 0 324.468 0.410 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H](CO)c1ccccc1OC ZINC000741422381 667770997 /nfs/dbraw/zinc/77/09/97/667770997.db2.gz HMOINPJRYHZUJG-XUSGNXJCSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000741423842 667771073 /nfs/dbraw/zinc/77/10/73/667771073.db2.gz XAISWVBKSSGMEM-GIPWTMENSA-N 0 0 304.412 0.550 10 0 DCAERN C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1N1CCOCC1 ZINC000742218779 667785315 /nfs/dbraw/zinc/78/53/15/667785315.db2.gz ORPUHWIXUQNSKG-CABCVRRESA-N 0 0 306.410 0.842 10 0 DCAERN CN(C)c1ccnc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000887020382 667838101 /nfs/dbraw/zinc/83/81/01/667838101.db2.gz OARQKBICHDFCDJ-ZIAGYGMSSA-N 0 0 305.378 0.807 10 0 DCAERN CCN1C[C@H](COC(=O)[C@@H](C)NC(=O)c2ccco2)CC1=O ZINC000123731715 667843624 /nfs/dbraw/zinc/84/36/24/667843624.db2.gz JFIVOLUCBCUXIC-GHMZBOCLSA-N 0 0 308.334 0.810 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(C)s2)C[C@H]1C ZINC000300064377 667880281 /nfs/dbraw/zinc/88/02/81/667880281.db2.gz UUNWTGSAJUGMGE-APPZFPTMSA-N 0 0 304.393 0.881 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1CCO ZINC000187301094 668254339 /nfs/dbraw/zinc/25/43/39/668254339.db2.gz ZQWZZXCUJCBUGY-SNVBAGLBSA-N 0 0 311.313 0.873 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000125598287 668374181 /nfs/dbraw/zinc/37/41/81/668374181.db2.gz PRWFRJGDGKWFKS-AWEZNQCLSA-N 0 0 317.345 0.596 10 0 DCAERN COc1ccc(C)cc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126444677 668596386 /nfs/dbraw/zinc/59/63/86/668596386.db2.gz GGDHRYZQRFAOTP-NSHDSACASA-N 0 0 312.391 0.719 10 0 DCAERN COCc1cccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126518170 668616534 /nfs/dbraw/zinc/61/65/34/668616534.db2.gz QOEWBIZMEHMHIU-ZDUSSCGKSA-N 0 0 312.391 0.548 10 0 DCAERN C[C@H](NC(=O)N(CCS(C)(=O)=O)C1CC1)[C@H]1CCCO1 ZINC000128245245 669172020 /nfs/dbraw/zinc/17/20/20/669172020.db2.gz VVZJJCHGRGCDAC-CMPLNLGQSA-N 0 0 304.412 0.773 10 0 DCAERN CCN1CCC[C@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000128564552 669258029 /nfs/dbraw/zinc/25/80/29/669258029.db2.gz LUDJIURCCKGBJY-LBPRGKRZSA-N 0 0 317.455 0.689 10 0 DCAERN CCn1cc(C(=O)N2CCC(Nc3cccnn3)CC2)nn1 ZINC000932080767 669310989 /nfs/dbraw/zinc/31/09/89/669310989.db2.gz TZBSLHNLJSDVNU-UHFFFAOYSA-N 0 0 301.354 0.805 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC=C2C(=O)NC(=O)c3ccccc32)C1 ZINC000130246549 669599461 /nfs/dbraw/zinc/59/94/61/669599461.db2.gz CQFDORWCTXBPNC-RPHWRIDRSA-N 0 0 313.357 0.931 10 0 DCAERN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(cn1)nc[nH]c2=O ZINC000187512317 669641471 /nfs/dbraw/zinc/64/14/71/669641471.db2.gz ITSOUVLXIMLCKO-UHFFFAOYSA-N 0 0 322.284 0.740 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(Cn2ncn(C)c2=O)CC1 ZINC000132219792 669708899 /nfs/dbraw/zinc/70/88/99/669708899.db2.gz JDAPHOQFKLKXEO-LBPRGKRZSA-N 0 0 309.414 0.412 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000793896271 669751179 /nfs/dbraw/zinc/75/11/79/669751179.db2.gz NZYUHFKVYRWGPC-CQSZACIVSA-N 0 0 322.390 0.785 10 0 DCAERN Cn1nccc1C1CCN(Cn2nc3cnccn3c2=O)CC1 ZINC000132970722 669760707 /nfs/dbraw/zinc/76/07/07/669760707.db2.gz DBHJAMGELWZMOD-UHFFFAOYSA-N 0 0 313.365 0.462 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)c1ccsc1 ZINC000155502225 669833189 /nfs/dbraw/zinc/83/31/89/669833189.db2.gz WMKXDWJLZMNLMW-GHMZBOCLSA-N 0 0 300.405 0.819 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000188285096 669998327 /nfs/dbraw/zinc/99/83/27/669998327.db2.gz YOLSVYVINUQPCP-SNVBAGLBSA-N 0 0 319.814 0.422 10 0 DCAERN Cn1c2ccncc2n(CN2CC[C@](O)(C(F)(F)F)C2)c1=O ZINC000191432147 670023245 /nfs/dbraw/zinc/02/32/45/670023245.db2.gz LXLDGQZMSIZBGA-GFCCVEGCSA-N 0 0 316.283 0.692 10 0 DCAERN CN1C(=O)CN(c2ncnc3c2cnn3C(C)(C)C)CC1=O ZINC000188547922 670024164 /nfs/dbraw/zinc/02/41/64/670024164.db2.gz MMEICTXBZQWZBD-UHFFFAOYSA-N 0 0 302.338 0.386 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000191445865 670027877 /nfs/dbraw/zinc/02/78/77/670027877.db2.gz TZNFFGBKLJMKIV-CWSCBRNRSA-N 0 0 318.295 0.894 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2CSCCS2)CCN1CCO ZINC000188779626 670046742 /nfs/dbraw/zinc/04/67/42/670046742.db2.gz ZRXHPCNBCUHIIS-NWDGAFQWSA-N 0 0 304.481 0.750 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N(C)CC(=O)N(C)C)CC2=O)cc1 ZINC000078476402 670048118 /nfs/dbraw/zinc/04/81/18/670048118.db2.gz NQPXUIBMOHTACF-CYBMUJFWSA-N 0 0 317.389 0.895 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)c1nnnn1C1CC1 ZINC000188929769 670067373 /nfs/dbraw/zinc/06/73/73/670067373.db2.gz OBNGFAYLCKICHU-UMNHJUIQSA-N 0 0 308.386 0.919 10 0 DCAERN COCCN1CCCN(Cn2c3ccccc3oc2=O)CC1=O ZINC000189284493 670107745 /nfs/dbraw/zinc/10/77/45/670107745.db2.gz JPQVNVQVOULNTK-UHFFFAOYSA-N 0 0 319.361 0.733 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cccc(N)c1 ZINC000713960377 670172600 /nfs/dbraw/zinc/17/26/00/670172600.db2.gz GPAUDFZXRSDYKE-UHFFFAOYSA-N 0 0 320.436 0.713 10 0 DCAERN Cn1cc(CN2CCC(CO)(CO)C2)c(Br)n1 ZINC000714096816 670178423 /nfs/dbraw/zinc/17/84/23/670178423.db2.gz NKVFPTHZRVVWJQ-UHFFFAOYSA-N 0 0 304.188 0.359 10 0 DCAERN O=C(NCC[C@H]1CCCS1(=O)=O)c1ccc(Cl)nn1 ZINC000714360152 670184580 /nfs/dbraw/zinc/18/45/80/670184580.db2.gz HTSNNKVHHSVDBD-MRVPVSSYSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccc(Br)s2)C1 ZINC000714414265 670185987 /nfs/dbraw/zinc/18/59/87/670185987.db2.gz RFODOZQAVOKIMY-UHFFFAOYSA-N 0 0 320.164 0.871 10 0 DCAERN COC(=O)CN(CC(=O)OC)S(=O)(=O)CCCC1CC1 ZINC000714962447 670200043 /nfs/dbraw/zinc/20/00/43/670200043.db2.gz HFINAFZUPYRDMJ-UHFFFAOYSA-N 0 0 307.368 0.154 10 0 DCAERN Cc1ccn(CC(=O)O[C@H](C)CCS(C)(=O)=O)c(=O)c1 ZINC000192929893 670206583 /nfs/dbraw/zinc/20/65/83/670206583.db2.gz NDRUUECVDMVPHC-LLVKDONJSA-N 0 0 301.364 0.523 10 0 DCAERN CCCn1cc([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)nn1 ZINC000715917872 670225780 /nfs/dbraw/zinc/22/57/80/670225780.db2.gz BZCRROLROYFYBB-WDEREUQCSA-N 0 0 301.416 0.373 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@H]2CCCC23OCCO3)c1 ZINC000715932835 670226267 /nfs/dbraw/zinc/22/62/67/670226267.db2.gz QFMBCSMOZKHJHT-JTQLQIEISA-N 0 0 301.368 0.477 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000716082220 670228571 /nfs/dbraw/zinc/22/85/71/670228571.db2.gz LUXKWLJSJNVUIL-FGWVZKOKSA-N 0 0 319.452 0.008 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1cccc(C=O)c1 ZINC000080061756 670262762 /nfs/dbraw/zinc/26/27/62/670262762.db2.gz NSVCGYMLJCJBLO-YPMHNXCESA-N 0 0 304.346 0.990 10 0 DCAERN COC[C@@](C)(CO)NC(=O)c1cccc(Br)n1 ZINC000716805421 670273377 /nfs/dbraw/zinc/27/33/77/670273377.db2.gz VNFPPYHEGJRRLJ-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN Cc1cc(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ns1 ZINC000193564190 670300667 /nfs/dbraw/zinc/30/06/67/670300667.db2.gz DQRWKRPMWDXTQH-SNAWJCMRSA-N 0 0 321.358 0.606 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)nc1Cl ZINC000193789769 670349137 /nfs/dbraw/zinc/34/91/37/670349137.db2.gz DTTSNGPGJQQZTO-VIFPVBQESA-N 0 0 317.798 0.943 10 0 DCAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000757193298 670358620 /nfs/dbraw/zinc/35/86/20/670358620.db2.gz YMTODXJHONIVQB-UONOGXRCSA-N 0 0 324.402 0.859 10 0 DCAERN O=C(OCCc1cnccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000194256369 670417884 /nfs/dbraw/zinc/41/78/84/670417884.db2.gz OAIHGYSNDWYAMB-SECBINFHSA-N 0 0 317.267 0.973 10 0 DCAERN Cn1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000194434840 670432324 /nfs/dbraw/zinc/43/23/24/670432324.db2.gz ZVUKPRGQWBYXQL-AWEZNQCLSA-N 0 0 302.382 0.061 10 0 DCAERN O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCN(C2CC2)CC1 ZINC000082355867 670475775 /nfs/dbraw/zinc/47/57/75/670475775.db2.gz FSIWSDXKOPRZEF-NSHDSACASA-N 0 0 319.327 0.846 10 0 DCAERN C[C@H]1C(=O)NCCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000190701297 670481307 /nfs/dbraw/zinc/48/13/07/670481307.db2.gz ABKQMKNDAOJCSC-VIFPVBQESA-N 0 0 320.305 0.671 10 0 DCAERN COc1ccc(F)cc1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1 ZINC000818215276 670989446 /nfs/dbraw/zinc/98/94/46/670989446.db2.gz DZNYRWMWEZSRCU-LBPRGKRZSA-N 0 0 319.340 0.522 10 0 DCAERN COC[C@]1(C(N)=O)CCCN1C(=O)[C@H](C)c1cccc(O)c1 ZINC000823330944 671387263 /nfs/dbraw/zinc/38/72/63/671387263.db2.gz MEPOSFIQGUVLEX-BZNIZROVSA-N 0 0 306.362 0.989 10 0 DCAERN C[C@@H](CCCCO)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000398731845 1158130520 /nfs/dbraw/zinc/13/05/20/1158130520.db2.gz MRIRVCOJOROSHA-RYUDHWBXSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@H](CNC(=O)c1ccc(Br)nc1)S(N)(=O)=O ZINC000398287076 685274529 /nfs/dbraw/zinc/27/45/29/685274529.db2.gz NUNVXICECHVOAL-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN C[C@H](CNC(=O)c1nc(Cl)ccc1Cl)S(N)(=O)=O ZINC000398277610 685274795 /nfs/dbraw/zinc/27/47/95/685274795.db2.gz JRURREMKWMWILC-RXMQYKEDSA-N 0 0 312.178 0.795 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000398599669 685274841 /nfs/dbraw/zinc/27/48/41/685274841.db2.gz ZJVXALSIXYIROX-JQWIXIFHSA-N 0 0 309.453 0.430 10 0 DCAERN O=C(NCc1cc(Br)no1)[C@@H]1CSC(=O)N1 ZINC000719370927 685309165 /nfs/dbraw/zinc/30/91/65/685309165.db2.gz VSAUCKOQLZVACP-YFKPBYRVSA-N 0 0 306.141 0.878 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1Cl ZINC000720845316 685315675 /nfs/dbraw/zinc/31/56/75/685315675.db2.gz QMVWRFLOAVCUII-UWVGGRQHSA-N 0 0 318.830 0.931 10 0 DCAERN CCOCc1nc(Cl)cc(N(C)CCS(N)(=O)=O)n1 ZINC000719709073 685311585 /nfs/dbraw/zinc/31/15/85/685311585.db2.gz NRDNDBNYGXEZMT-UHFFFAOYSA-N 0 0 308.791 0.391 10 0 DCAERN C[C@H](C(=O)NCc1cn(C)nc1Br)n1cncn1 ZINC000720668510 685314698 /nfs/dbraw/zinc/31/46/98/685314698.db2.gz WWNNQEMFXBKQCA-SSDOTTSWSA-N 0 0 313.159 0.652 10 0 DCAERN O=S1(=O)CCNC[C@H]1Cc1nc([C@@H]2CCCCS2)no1 ZINC000725016931 685319929 /nfs/dbraw/zinc/31/99/29/685319929.db2.gz RQYNKELHDLDLRQ-ZJUUUORDSA-N 0 0 317.436 0.957 10 0 DCAERN COCCN(CCC(=O)OC)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000096537597 685112113 /nfs/dbraw/zinc/11/21/13/685112113.db2.gz DJQRGJOAVOJUES-GFCCVEGCSA-N 0 0 322.427 0.475 10 0 DCAERN CN(CC1CC(O)C1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000135342401 685121545 /nfs/dbraw/zinc/12/15/45/685121545.db2.gz MRLHCDXLMPAQHO-UHFFFAOYSA-N 0 0 301.346 0.626 10 0 DCAERN C#CCNC(=O)[C@H](C)OC(=O)c1csc(-c2ncccn2)n1 ZINC000144849626 685129040 /nfs/dbraw/zinc/12/90/40/685129040.db2.gz QRGMXZUTUBATMU-VIFPVBQESA-N 0 0 316.342 0.895 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000177948028 685149983 /nfs/dbraw/zinc/14/99/83/685149983.db2.gz GXBZKULNSYQQJA-MNOVXSKESA-N 0 0 321.381 0.392 10 0 DCAERN CCS(=O)(=O)CCN(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000245646697 685158163 /nfs/dbraw/zinc/15/81/63/685158163.db2.gz LQCNQHGVVNTONV-LLVKDONJSA-N 0 0 312.457 0.330 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@H]3CCCC[C@H]32)n1 ZINC000246158699 685161646 /nfs/dbraw/zinc/16/16/46/685161646.db2.gz HLJUBDUWAFEUSY-OLZOCXBDSA-N 0 0 307.350 0.631 10 0 DCAERN COC[C@@]1(C)NC(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1=O ZINC000247523584 685171976 /nfs/dbraw/zinc/17/19/76/685171976.db2.gz WYGFWNSFNZFNNP-SWLSCSKDSA-N 0 0 321.381 0.471 10 0 DCAERN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000248531073 685175554 /nfs/dbraw/zinc/17/55/54/685175554.db2.gz OCULSXRJKLNAPE-ATCWAGBWSA-N 0 0 322.409 0.513 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCO[C@@H](C)C2)CC[S@]1=O ZINC000248907197 685177222 /nfs/dbraw/zinc/17/72/22/685177222.db2.gz BINPVNHZRPPDTL-YEJXKQKISA-N 0 0 316.467 0.857 10 0 DCAERN CC[C@@H]1CN(CN2C[C@@H](OC)CC2=O)CCN1CC(F)F ZINC000249496548 685180835 /nfs/dbraw/zinc/18/08/35/685180835.db2.gz WGJWDQSHXZYVSK-NEPJUHHUSA-N 0 0 305.369 0.853 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CCN1CCO ZINC000249517406 685181494 /nfs/dbraw/zinc/18/14/94/685181494.db2.gz SBTQWNQJLDMWKP-XJKSGUPXSA-N 0 0 317.389 0.705 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1nnnn1C1CC1 ZINC000249600833 685182696 /nfs/dbraw/zinc/18/26/96/685182696.db2.gz OBNGFAYLCKICHU-NHCYSSNCSA-N 0 0 308.386 0.919 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000249854826 685184225 /nfs/dbraw/zinc/18/42/25/685184225.db2.gz CVILHVFZRKVQDP-UONOGXRCSA-N 0 0 321.425 0.725 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)no1 ZINC000249806328 685184246 /nfs/dbraw/zinc/18/42/46/685184246.db2.gz BIUWVRZKVHINPV-JSGCOSHPSA-N 0 0 322.409 0.880 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]2C ZINC000364150221 685222079 /nfs/dbraw/zinc/22/20/79/685222079.db2.gz XXZBICWBHIWCJX-WDEREUQCSA-N 0 0 305.382 0.783 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000372752456 685228494 /nfs/dbraw/zinc/22/84/94/685228494.db2.gz SBWJQZXPFKVMJW-UTUOFQBUSA-N 0 0 316.448 0.641 10 0 DCAERN CN(Cc1cc[nH]n1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000400009784 1157683032 /nfs/dbraw/zinc/68/30/32/1157683032.db2.gz VBAPTLKDCNWEBV-JTQLQIEISA-N 0 0 303.409 0.288 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@H]1O ZINC000299908765 1157712866 /nfs/dbraw/zinc/71/28/66/1157712866.db2.gz VLFGXBZRVRPONE-IJLUTSLNSA-N 0 0 304.412 0.030 10 0 DCAERN O=c1ccc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)n[nH]1 ZINC000392791631 1157736849 /nfs/dbraw/zinc/73/68/49/1157736849.db2.gz OXHNQINPBIGJNL-UHFFFAOYSA-N 0 0 318.717 0.848 10 0 DCAERN CC(=O)NCCCCCC(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000163499111 1157851884 /nfs/dbraw/zinc/85/18/84/1157851884.db2.gz HKBZVRRDGQBDPV-ZDUSSCGKSA-N 0 0 300.399 0.681 10 0 DCAERN CO[C@@H]1CN(C(=O)CSCc2csc(C)n2)C[C@H]1O ZINC000395373550 1157952332 /nfs/dbraw/zinc/95/23/32/1157952332.db2.gz PSOFQKKIBSREHD-GHMZBOCLSA-N 0 0 302.421 0.903 10 0 DCAERN COCCC(=O)N1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000333390722 1158325824 /nfs/dbraw/zinc/32/58/24/1158325824.db2.gz CXFUGJKCHNDERF-AWEZNQCLSA-N 0 0 317.389 0.819 10 0 DCAERN CC(=O)N1CCC(NC(=O)CCNC(=O)c2ccncc2)CC1 ZINC000044985381 1158649494 /nfs/dbraw/zinc/64/94/94/1158649494.db2.gz NSJLAOBSHDKTJF-UHFFFAOYSA-N 0 0 318.377 0.329 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2nccs2)CC1 ZINC000027133490 1171413296 /nfs/dbraw/zinc/41/32/96/1171413296.db2.gz WAKVIOPFXYVYNW-JTQLQIEISA-N 0 0 311.411 0.485 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCC[C@H]1C(=O)NC1CC1 ZINC000044890532 1171581367 /nfs/dbraw/zinc/58/13/67/1171581367.db2.gz RTLRGEMBQQJCFW-AWEZNQCLSA-N 0 0 313.361 0.701 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000049934996 1171710111 /nfs/dbraw/zinc/71/01/11/1171710111.db2.gz SKFHBZHGQUWRSQ-ZDUSSCGKSA-N 0 0 305.382 0.423 10 0 DCAERN NS(=O)(=O)c1ccc(CCNC(=O)c2ccns2)cc1 ZINC000074704560 1173924866 /nfs/dbraw/zinc/92/48/66/1173924866.db2.gz GYPJVELYAARGEQ-UHFFFAOYSA-N 0 0 311.388 0.763 10 0 DCAERN Cn1ncnc1Cn1cccc(I)c1=O ZINC000094206955 1175703493 /nfs/dbraw/zinc/70/34/93/1175703493.db2.gz WCTRFKKFWULWTD-UHFFFAOYSA-N 0 0 316.102 0.630 10 0 DCAERN O=C(Cn1cc(C2CC2)nn1)NCCCNC(=O)C1CCC1 ZINC000122576992 1177040671 /nfs/dbraw/zinc/04/06/71/1177040671.db2.gz WEOZEPFUMHIKLV-UHFFFAOYSA-N 0 0 305.382 0.578 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC000123847394 1177076220 /nfs/dbraw/zinc/07/62/20/1177076220.db2.gz CVUPIUCSHWKHSQ-UHFFFAOYSA-N 0 0 307.350 0.132 10 0 DCAERN CNC(=O)CCNC(=O)c1cc(Br)ccc1N ZINC000123942677 1177089372 /nfs/dbraw/zinc/08/93/72/1177089372.db2.gz KCGNWEWPVZYSGJ-UHFFFAOYSA-N 0 0 300.156 0.897 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cn2cc(C3CC3)nn2)CC1 ZINC000153714811 1180548355 /nfs/dbraw/zinc/54/83/55/1180548355.db2.gz SQEPHJDVQRLGHN-UHFFFAOYSA-N 0 0 305.382 0.530 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000158181714 1180563725 /nfs/dbraw/zinc/56/37/25/1180563725.db2.gz ZDIRXZQSIRQJRG-UHFFFAOYSA-N 0 0 321.377 0.441 10 0 DCAERN Cc1cc(CN2CCN(C(=O)C[C@@H]3COC(=O)C3)CC2)on1 ZINC000160247891 1180682091 /nfs/dbraw/zinc/68/20/91/1180682091.db2.gz CCJYRDYVHVQBNB-LBPRGKRZSA-N 0 0 307.350 0.580 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2c(C)n[nH]c2C)CC1 ZINC000162241846 1182170940 /nfs/dbraw/zinc/17/09/40/1182170940.db2.gz AXHUXSFNENEPAM-UHFFFAOYSA-N 0 0 322.409 0.713 10 0 DCAERN CCOCC(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000238849057 1182431540 /nfs/dbraw/zinc/43/15/40/1182431540.db2.gz JAKYGJBCBIESRH-UHFFFAOYSA-N 0 0 320.393 0.540 10 0 DCAERN NC(=O)NC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21 ZINC000171400924 1183730954 /nfs/dbraw/zinc/73/09/54/1183730954.db2.gz RRZJNWORFIUZGY-LLVKDONJSA-N 0 0 316.365 0.481 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000171872919 1183791487 /nfs/dbraw/zinc/79/14/87/1183791487.db2.gz YOZLUNNPXVKJQB-LLVKDONJSA-N 0 0 301.350 0.416 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)Cn2nnc3ccccc32)C1=O ZINC000172119412 1183804474 /nfs/dbraw/zinc/80/44/74/1183804474.db2.gz SHRJAHCGWJADSR-LBPRGKRZSA-N 0 0 301.350 0.557 10 0 DCAERN Cc1noc([C@H](NC(=O)N[C@@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000172267031 1183829424 /nfs/dbraw/zinc/82/94/24/1183829424.db2.gz POEYARABJARFSB-WCBMZHEXSA-N 0 0 318.399 0.807 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccccc1 ZINC000175006038 1184016235 /nfs/dbraw/zinc/01/62/35/1184016235.db2.gz KTZDUNISKDRVOP-LBPRGKRZSA-N 0 0 300.380 0.118 10 0 DCAERN Cc1cc(CN2CCN(C(=O)CCc3nnc[nH]3)CC2)on1 ZINC000176780573 1184222907 /nfs/dbraw/zinc/22/29/07/1184222907.db2.gz LYECMJSXMIUVGD-UHFFFAOYSA-N 0 0 304.354 0.378 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000177005705 1184225419 /nfs/dbraw/zinc/22/54/19/1184225419.db2.gz CQGIFNZGQGPXST-YPMHNXCESA-N 0 0 313.361 0.701 10 0 DCAERN COCc1noc(CN2CCN(C(=O)c3cc(C)no3)CC2)n1 ZINC000182527543 1185188774 /nfs/dbraw/zinc/18/87/74/1185188774.db2.gz UYHZHKYAGRISSK-UHFFFAOYSA-N 0 0 321.337 0.470 10 0 DCAERN C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)c1nnnn1C1CC1 ZINC000188948224 1187833919 /nfs/dbraw/zinc/83/39/19/1187833919.db2.gz WKDBIYPBHGZINP-WHKIEGFNSA-N 0 0 320.397 0.871 10 0 DCAERN COC[C@H]1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000189512061 1187898372 /nfs/dbraw/zinc/89/83/72/1187898372.db2.gz WJOXZGPFDPMBPG-JTQLQIEISA-N 0 0 302.334 0.817 10 0 DCAERN COC[C@H](C)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307906970 1190385239 /nfs/dbraw/zinc/38/52/39/1190385239.db2.gz RUCAJTNQRSUCQK-SECBINFHSA-N 0 0 300.380 0.685 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N[C@@H]1COC[C@H]1O ZINC000323307319 1190445296 /nfs/dbraw/zinc/44/52/96/1190445296.db2.gz QVIAZBFKHZPOGQ-NXEZZACHSA-N 0 0 301.140 0.521 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C)C(=O)[C@@H]1C ZINC000588527827 747408244 /nfs/dbraw/zinc/40/82/44/747408244.db2.gz JSSCSCRITMAZSL-RYUDHWBXSA-N 0 0 319.409 0.377 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000588538446 747417724 /nfs/dbraw/zinc/41/77/24/747417724.db2.gz PFTJCQCWPDLGLB-HSBHDXMMSA-N 0 0 318.373 0.954 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cccnc1F)C(=O)NC(C)(C)C ZINC000401840731 768879818 /nfs/dbraw/zinc/87/98/18/768879818.db2.gz RAJWPWFWHNHZEJ-MRVPVSSYSA-N 0 0 303.359 0.802 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000246605921 771664006 /nfs/dbraw/zinc/66/40/06/771664006.db2.gz KQYOHKOPSLVEFG-KBPBESRZSA-N 0 0 307.398 0.388 10 0 DCAERN O=C(CCCNS(=O)(=O)c1cccnc1F)NC1CC1 ZINC000401854144 774068447 /nfs/dbraw/zinc/06/84/47/774068447.db2.gz MMXJZBVIEZNJGU-UHFFFAOYSA-N 0 0 301.343 0.558 10 0 DCAERN C[S@](=N)(=O)N1CCN(c2ncc(Br)cn2)CC1 ZINC000404653148 774137853 /nfs/dbraw/zinc/13/78/53/774137853.db2.gz SAIHDOVXMRRNTF-QGZVFWFLSA-N 0 0 320.216 0.953 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N1C[C@H](O)[C@H](CO)C1 ZINC000316235601 774935574 /nfs/dbraw/zinc/93/55/74/774935574.db2.gz UYSQOOMXWCPWHU-DSAOOCMMSA-N 0 0 317.794 0.926 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCCC(=O)[O-] ZINC000702403301 950229516 /nfs/dbraw/zinc/22/95/16/950229516.db2.gz VCCOPUUJRQHNBB-AWEZNQCLSA-N 0 0 307.394 0.817 10 0 DCAERN COC[C@]1(C(=O)[O-])CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000696833181 954819462 /nfs/dbraw/zinc/81/94/62/954819462.db2.gz QPIIDSGYFCGFLU-ZDUSSCGKSA-N 0 0 305.396 0.234 10 0 DCAERN O=C([O-])CC[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695041399 968955009 /nfs/dbraw/zinc/95/50/09/968955009.db2.gz WOWWHCTWABUVTQ-GFCCVEGCSA-N 0 0 304.412 0.599 10 0 DCAERN C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)[NH+]1CCCC1 ZINC000694176933 976676181 /nfs/dbraw/zinc/67/61/81/976676181.db2.gz LGUJWQGAYAWXSI-VIFPVBQESA-N 0 0 302.352 0.740 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1ccc3nnn(C)c3c1)CC2 ZINC000183678029 282124526 /nfs/dbraw/zinc/12/45/26/282124526.db2.gz CGFBHSJGPNGMMO-LLVKDONJSA-N 0 0 311.349 0.613 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000079129318 185159581 /nfs/dbraw/zinc/15/95/81/185159581.db2.gz DGPZHJWXONBMPY-GFCCVEGCSA-N 0 0 309.414 0.671 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000328634837 231272044 /nfs/dbraw/zinc/27/20/44/231272044.db2.gz UHQAWAOKLGEHFW-UHFFFAOYSA-N 0 0 313.313 0.708 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnn(C)c1 ZINC000088787001 185265794 /nfs/dbraw/zinc/26/57/94/185265794.db2.gz QINSNHSXPLRNJI-JTQLQIEISA-N 0 0 310.383 0.387 10 0 DCAERN O=S(=O)(c1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000181408430 199292165 /nfs/dbraw/zinc/29/21/65/199292165.db2.gz FILJODVSXPZEID-SCZZXKLOSA-N 0 0 310.780 0.272 10 0 DCAERN CCc1nc(NC(=O)C(=O)NCCCn2ccnn2)sc1C ZINC000193276949 529742466 /nfs/dbraw/zinc/74/24/66/529742466.db2.gz JIDDOHNATMDQGA-UHFFFAOYSA-N 0 0 322.394 0.750 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000286641580 219098752 /nfs/dbraw/zinc/09/87/52/219098752.db2.gz DULREUMYMYPWJC-BBRMVZONSA-N 0 0 304.346 0.610 10 0 DCAERN CNC(=O)CN1CCN(C(=O)CCCC[C@H](C)C(C)=O)CC1 ZINC000154491153 529862762 /nfs/dbraw/zinc/86/27/62/529862762.db2.gz HCMCLMYNJLOLOK-ZDUSSCGKSA-N 0 0 311.426 0.662 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(C)C ZINC000178412916 529897076 /nfs/dbraw/zinc/89/70/76/529897076.db2.gz VRKAOUDMJFXXGT-STQMWFEESA-N 0 0 314.430 0.025 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccc(OCCOC)c1 ZINC000178507086 529902140 /nfs/dbraw/zinc/90/21/40/529902140.db2.gz PPYOLHUZQQWXDU-HNNXBMFYSA-N 0 0 320.389 0.991 10 0 DCAERN CNC(=O)c1cccnc1NC1CCN(S(C)(=O)=O)CC1 ZINC000301369004 529951856 /nfs/dbraw/zinc/95/18/56/529951856.db2.gz ROLJUIPGEUDWGY-UHFFFAOYSA-N 0 0 312.395 0.277 10 0 DCAERN C[C@]1(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333218864 300834523 /nfs/dbraw/zinc/83/45/23/300834523.db2.gz WBYUBNGBRFFEJN-KXNHARMFSA-N 0 0 307.437 0.672 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000187851671 530016200 /nfs/dbraw/zinc/01/62/00/530016200.db2.gz DMCOPQLSCXGZLQ-MRVPVSSYSA-N 0 0 317.333 0.520 10 0 DCAERN Cc1nc(CN(C)C(=O)Cn2c3ccccc3[nH]c2=O)no1 ZINC000181820417 199357131 /nfs/dbraw/zinc/35/71/31/199357131.db2.gz JFHLMILDUNWYBM-UHFFFAOYSA-N 0 0 301.306 0.680 10 0 DCAERN COC(=O)CCCCNC(=O)c1ccccc1-n1cnnn1 ZINC000068955999 190790743 /nfs/dbraw/zinc/79/07/43/190790743.db2.gz SKLMKBZZQFEATA-UHFFFAOYSA-N 0 0 303.322 0.735 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000272645846 210050845 /nfs/dbraw/zinc/05/08/45/210050845.db2.gz JCFNRKABVFVXDW-GHMZBOCLSA-N 0 0 320.397 0.246 10 0 DCAERN COC[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)[C@H]1CCCO1 ZINC000279794164 215152656 /nfs/dbraw/zinc/15/26/56/215152656.db2.gz VXDRUHBQYAIZCB-HZSPNIEDSA-N 0 0 322.409 0.939 10 0 DCAERN O=C1NC[C@@]2(CCCN(Cc3nc4ccccc4[nH]c3=O)C2)O1 ZINC000072163874 191063016 /nfs/dbraw/zinc/06/30/16/191063016.db2.gz YVLGYARLBPHCDC-MRXNPFEDSA-N 0 0 314.345 0.998 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)CC2 ZINC000150713098 186058970 /nfs/dbraw/zinc/05/89/70/186058970.db2.gz SFYFHZOEBSCSMJ-WDEREUQCSA-N 0 0 305.382 0.311 10 0 DCAERN CCN1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)C)cn2)CC1=O ZINC000280015893 215315057 /nfs/dbraw/zinc/31/50/57/215315057.db2.gz MEABBLRPXVYQBP-NSHDSACASA-N 0 0 304.350 0.590 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000191615802 295809017 /nfs/dbraw/zinc/80/90/17/295809017.db2.gz DNLSLYXNRPTNPJ-YUMQZZPRSA-N 0 0 323.358 0.776 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000175678584 186186993 /nfs/dbraw/zinc/18/69/93/186186993.db2.gz PMMBYKDVYZKBPX-OCCSQVGLSA-N 0 0 307.398 0.282 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000177910121 186202602 /nfs/dbraw/zinc/20/26/02/186202602.db2.gz ILQYRIABOXEBJF-OAHLLOKOSA-N 0 0 319.405 0.849 10 0 DCAERN COC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181885409 186215274 /nfs/dbraw/zinc/21/52/74/186215274.db2.gz STIYNLTUYQJLHK-UHFFFAOYSA-N 0 0 312.269 0.894 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CCO[C@]2(CCOC2)C1 ZINC000183832523 186222276 /nfs/dbraw/zinc/22/22/76/186222276.db2.gz UWFAWOAQNVXBMX-MRXNPFEDSA-N 0 0 304.346 0.434 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253394578 186304183 /nfs/dbraw/zinc/30/41/83/186304183.db2.gz GVKSXEMSIJZUPF-KBPBESRZSA-N 0 0 316.398 0.873 10 0 DCAERN O[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc3nnnn3n2)C1 ZINC000253396626 186305621 /nfs/dbraw/zinc/30/56/21/186305621.db2.gz PSVUCDIDDVVYBD-VXGBXAGGSA-N 0 0 300.297 0.971 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000171782300 197984291 /nfs/dbraw/zinc/98/42/91/197984291.db2.gz BQHJESIKJOZKFI-ZDUSSCGKSA-N 0 0 315.373 0.766 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172111787 198041035 /nfs/dbraw/zinc/04/10/35/198041035.db2.gz HKLHJKDETNYUKB-LBPRGKRZSA-N 0 0 307.398 0.691 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)c1 ZINC000172126649 198043149 /nfs/dbraw/zinc/04/31/49/198043149.db2.gz ACNXJROZILCBMU-VHSXEESVSA-N 0 0 318.299 0.765 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)CNCC(F)(F)F ZINC000172157375 198048690 /nfs/dbraw/zinc/04/86/90/198048690.db2.gz WIDWQRAUUPNWEY-JTQLQIEISA-N 0 0 306.284 0.997 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000172318832 198078594 /nfs/dbraw/zinc/07/85/94/198078594.db2.gz KWCIFCPEFCTHSF-CQSZACIVSA-N 0 0 322.409 0.789 10 0 DCAERN O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1CO ZINC000172472129 198101940 /nfs/dbraw/zinc/10/19/40/198101940.db2.gz SXGMEDNRJFEPMR-QWHCGFSZSA-N 0 0 305.382 0.612 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000172603877 198122416 /nfs/dbraw/zinc/12/24/16/198122416.db2.gz KIXMQZWDCUBWNW-ZDUSSCGKSA-N 0 0 314.407 0.906 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)C(=O)N(C)C ZINC000175618295 299185580 /nfs/dbraw/zinc/18/55/80/299185580.db2.gz YKRCGHUYZXLPND-RYUDHWBXSA-N 0 0 322.413 0.165 10 0 DCAERN Nc1nc2c(s1)CN(C(=O)[C@H]1NCCc3nc[nH]c31)CC2 ZINC000072478238 191179087 /nfs/dbraw/zinc/17/90/87/191179087.db2.gz YEJYFCBSMBWCIE-NSHDSACASA-N 0 0 304.379 0.220 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCC4(CC3)OCCO4)C2=O)n(C)n1 ZINC000173529722 198224791 /nfs/dbraw/zinc/22/47/91/198224791.db2.gz JGJIACRYXQQQGD-CYBMUJFWSA-N 0 0 320.393 0.673 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cccnc3OC)CCO2)[nH]1 ZINC000173562224 198226978 /nfs/dbraw/zinc/22/69/78/198226978.db2.gz GJMCOQBDDLMRQO-NSHDSACASA-N 0 0 317.349 0.984 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)nn3C)CCO2)[nH]1 ZINC000173562638 198227351 /nfs/dbraw/zinc/22/73/51/198227351.db2.gz AIPDJNJSUPSINW-NSHDSACASA-N 0 0 304.354 0.623 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1-n1cncn1 ZINC000173694335 198241775 /nfs/dbraw/zinc/24/17/75/198241775.db2.gz VECBFULBQXIURG-CYBMUJFWSA-N 0 0 323.360 0.912 10 0 DCAERN CN(C(=O)Cc1cc[nH]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000173786774 198252063 /nfs/dbraw/zinc/25/20/63/198252063.db2.gz GJCBAYILTSTAES-ZDUSSCGKSA-N 0 0 300.366 0.870 10 0 DCAERN CCOCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000173832194 198258727 /nfs/dbraw/zinc/25/87/27/198258727.db2.gz GEGXNOKSNJPMCY-UHFFFAOYSA-N 0 0 319.405 0.978 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000173886931 198264752 /nfs/dbraw/zinc/26/47/52/198264752.db2.gz YHTNHFMJZRCIMM-GXTWGEPZSA-N 0 0 305.378 0.178 10 0 DCAERN C[C@@H]1CN(C)c2ccccc2N(C(=O)CN2CC(=O)NC2=O)C1 ZINC000174058779 198286613 /nfs/dbraw/zinc/28/66/13/198286613.db2.gz UNOSKPVZGXIGRB-LLVKDONJSA-N 0 0 316.361 0.657 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCCn1cnnc1C(C)C)C(C)C ZINC000174348263 198323429 /nfs/dbraw/zinc/32/34/29/198323429.db2.gz JCKUGXFWEQKRGX-LLVKDONJSA-N 0 0 311.386 0.898 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CCS1(=O)=O ZINC000174844430 198392177 /nfs/dbraw/zinc/39/21/77/198392177.db2.gz DPPZZJZYTMWPFR-MRVPVSSYSA-N 0 0 322.337 0.799 10 0 DCAERN C[NH+](C)CCCn1c(=O)c2sccc2n(CC(=O)[O-])c1=O ZINC000073661133 191337696 /nfs/dbraw/zinc/33/76/96/191337696.db2.gz FSUDQGZWYGYXFK-UHFFFAOYSA-N 0 0 311.363 0.261 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000077990831 191805343 /nfs/dbraw/zinc/80/53/43/191805343.db2.gz HMIPZMMHXHGRFA-GFCCVEGCSA-N 0 0 302.252 0.925 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1nc(N)nc(N(C)C)n1 ZINC000177208691 198687206 /nfs/dbraw/zinc/68/72/06/198687206.db2.gz IFKIBEQTLAOMRC-SECBINFHSA-N 0 0 310.402 0.682 10 0 DCAERN CC(C)(C)n1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)cn1 ZINC000080893827 192198864 /nfs/dbraw/zinc/19/88/64/192198864.db2.gz NXLPDYHYOBXAEF-INIZCTEOSA-N 0 0 324.425 0.451 10 0 DCAERN O=C(NCCNC(=O)c1ccco1)N[C@H]1CCCC[C@@H]1CO ZINC000081475682 192272966 /nfs/dbraw/zinc/27/29/66/192272966.db2.gz JPSHHSAIIOYZSD-NEPJUHHUSA-N 0 0 309.366 0.860 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000177616917 198752779 /nfs/dbraw/zinc/75/27/79/198752779.db2.gz RRBXKGPKLDJSHJ-WCQYABFASA-N 0 0 318.381 0.388 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c(C)c1 ZINC000177625448 198753090 /nfs/dbraw/zinc/75/30/90/198753090.db2.gz QQTWPSDDAQFJPS-GFCCVEGCSA-N 0 0 313.361 0.965 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000179417840 199031665 /nfs/dbraw/zinc/03/16/65/199031665.db2.gz ITJZRUFASGFXIN-NSHDSACASA-N 0 0 312.801 0.846 10 0 DCAERN O=C(NCc1cnn(-c2ccccc2)c1)NC[C@@]1(O)CCOC1 ZINC000179499928 199046345 /nfs/dbraw/zinc/04/63/45/199046345.db2.gz WKLIXVPXYQNXAR-INIZCTEOSA-N 0 0 316.361 0.823 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180600739 199182673 /nfs/dbraw/zinc/18/26/73/199182673.db2.gz ONTXYJCFLLWAMZ-MRVPVSSYSA-N 0 0 306.771 0.964 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ncncc2Cl)O1 ZINC000180703501 199199550 /nfs/dbraw/zinc/19/95/50/199199550.db2.gz IDDVYWRMUCFELA-WCBMZHEXSA-N 0 0 312.757 0.496 10 0 DCAERN O=C(NCCNC(=O)[C@H]1CCCc2n[nH]cc21)c1ccn[nH]1 ZINC000180931360 199229311 /nfs/dbraw/zinc/22/93/11/199229311.db2.gz XOPPEIGSOPQSAW-VIFPVBQESA-N 0 0 302.338 0.099 10 0 DCAERN Cc1cccc(C)c1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000180948970 199231933 /nfs/dbraw/zinc/23/19/33/199231933.db2.gz GXUKBPANELQITF-UHFFFAOYSA-N 0 0 301.346 0.882 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1c(Br)cnn1C ZINC000278413712 283396730 /nfs/dbraw/zinc/39/67/30/283396730.db2.gz HKEILFUYCWPSMN-VIFPVBQESA-N 0 0 301.188 0.893 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000153618472 237019714 /nfs/dbraw/zinc/01/97/14/237019714.db2.gz SOMQKRQOBITENY-WCQYABFASA-N 0 0 318.439 0.826 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1 ZINC000163680500 237113686 /nfs/dbraw/zinc/11/36/86/237113686.db2.gz GVMMGGBENMYUFZ-CMPLNLGQSA-N 0 0 318.377 0.749 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C)n1 ZINC000163680747 237116143 /nfs/dbraw/zinc/11/61/43/237116143.db2.gz GVMMGGBENMYUFZ-ZYHUDNBSSA-N 0 0 318.377 0.749 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)Cc1cnn(C)c1 ZINC000172983907 237152614 /nfs/dbraw/zinc/15/26/14/237152614.db2.gz REWGWFGFILANIE-MNOVXSKESA-N 0 0 302.400 0.206 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2ncncc2Cl)CC1 ZINC000175181963 237179173 /nfs/dbraw/zinc/17/91/73/237179173.db2.gz HJNRDINGYKQTJI-UHFFFAOYSA-N 0 0 318.786 0.238 10 0 DCAERN Cc1ccn(-c2ccccc2CNC(=O)NCCC(N)=O)n1 ZINC000178288843 237223537 /nfs/dbraw/zinc/22/35/37/237223537.db2.gz BSRFGPSQUMSKGQ-UHFFFAOYSA-N 0 0 301.350 0.855 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC[C@H](C)O3)C2=O)n(C)n1 ZINC000178378506 237226308 /nfs/dbraw/zinc/22/63/08/237226308.db2.gz NNWNMDNSMUKXDF-RWMBFGLXSA-N 0 0 320.393 0.908 10 0 DCAERN COCCCOC1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000175993225 237194792 /nfs/dbraw/zinc/19/47/92/237194792.db2.gz KFMBSMKPRPXKIG-UHFFFAOYSA-N 0 0 317.345 0.801 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000187297007 200091078 /nfs/dbraw/zinc/09/10/78/200091078.db2.gz ZZRMHBSTLZEUDL-GFCCVEGCSA-N 0 0 305.378 0.185 10 0 DCAERN Cc1nc2c(cccc2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)o1 ZINC000281057811 216050907 /nfs/dbraw/zinc/05/09/07/216050907.db2.gz YRRLPTOAGMQUJN-JTQLQIEISA-N 0 0 323.374 0.900 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1COCCN1CC1CCC1)C(C)C ZINC000187658826 200140579 /nfs/dbraw/zinc/14/05/79/200140579.db2.gz DSZFPJRETLOEJG-UONOGXRCSA-N 0 0 311.426 0.374 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000187697962 200146337 /nfs/dbraw/zinc/14/63/37/200146337.db2.gz ZVCULOFXHJKFDY-KBPBESRZSA-N 0 0 323.441 0.789 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000187446200 237345015 /nfs/dbraw/zinc/34/50/15/237345015.db2.gz YABDJVSPXXAZSP-AWEZNQCLSA-N 0 0 317.345 0.957 10 0 DCAERN C[C@H]1CN(C(=O)CSCC(F)(F)F)CCN1CCO ZINC000188798796 237380568 /nfs/dbraw/zinc/38/05/68/237380568.db2.gz RPDYKWNMSHXQPV-VIFPVBQESA-N 0 0 300.346 0.807 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000189217477 237390736 /nfs/dbraw/zinc/39/07/36/237390736.db2.gz SYHPQGCUCQXBHM-OLZOCXBDSA-N 0 0 308.378 0.315 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC000195421911 237512831 /nfs/dbraw/zinc/51/28/31/237512831.db2.gz FLJSEKVHESKEIQ-NWDGAFQWSA-N 0 0 306.428 0.447 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)[C@@H]1CCCO1 ZINC000281144892 216108929 /nfs/dbraw/zinc/10/89/29/216108929.db2.gz HXPWGTYCSKLOFC-IHRRRGAJSA-N 0 0 324.400 0.970 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000153919094 291209197 /nfs/dbraw/zinc/20/91/97/291209197.db2.gz AXWRMMNGIXKSBT-LLVKDONJSA-N 0 0 322.413 0.891 10 0 DCAERN C[C@H](NC(=O)CSCC(N)=O)c1ccc(-n2ccnn2)cc1 ZINC000154023136 291210278 /nfs/dbraw/zinc/21/02/78/291210278.db2.gz QHHZWIGBNDTIOJ-JTQLQIEISA-N 0 0 319.390 0.663 10 0 DCAERN Cc1nc(C(=O)NCc2ccc(-n3cncn3)cc2)c(=O)[nH]c1C ZINC000154477072 291214108 /nfs/dbraw/zinc/21/41/08/291214108.db2.gz ITRQAWDKDHGIDR-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000154911251 291216703 /nfs/dbraw/zinc/21/67/03/291216703.db2.gz JCSYVZNFBRJMIM-OAHLLOKOSA-N 0 0 306.366 0.871 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000155387063 291219910 /nfs/dbraw/zinc/21/99/10/291219910.db2.gz GRRIFPMBIIYVOH-KGLIPLIRSA-N 0 0 313.419 0.854 10 0 DCAERN CC(C)NC(=O)CNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155528586 291220704 /nfs/dbraw/zinc/22/07/04/291220704.db2.gz VBPKVJXVKZTCNJ-NSHDSACASA-N 0 0 322.413 0.540 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000155848193 291222834 /nfs/dbraw/zinc/22/28/34/291222834.db2.gz GNKURBWRCJRJRA-UHFFFAOYSA-N 0 0 306.370 0.192 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)C(C)C)C1 ZINC000158849291 291232830 /nfs/dbraw/zinc/23/28/30/291232830.db2.gz XAPAJLPGXXCYRV-NEPJUHHUSA-N 0 0 322.427 0.113 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000158862116 291232952 /nfs/dbraw/zinc/23/29/52/291232952.db2.gz MDDKEUKVASRRIN-LLVKDONJSA-N 0 0 314.363 0.313 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)CC[C@@H](C)O)cc1 ZINC000158994982 291233531 /nfs/dbraw/zinc/23/35/31/291233531.db2.gz JRPJCZYCZMKUEJ-LLVKDONJSA-N 0 0 315.391 0.794 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](NCc3ccc(CO)o3)C2)c1=O ZINC000275705145 238312870 /nfs/dbraw/zinc/31/28/70/238312870.db2.gz XXHWZJBFKXOXON-GFCCVEGCSA-N 0 0 318.377 0.624 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)N(CC(F)F)C2CC2)cn1 ZINC000163978575 291247011 /nfs/dbraw/zinc/24/70/11/291247011.db2.gz VNARCQPRTXMBAQ-UHFFFAOYSA-N 0 0 313.308 0.737 10 0 DCAERN C[C@H](C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1)c1ccccc1 ZINC000276658176 238323470 /nfs/dbraw/zinc/32/34/70/238323470.db2.gz YPLQLHQJMFQQNC-ZFWWWQNUSA-N 0 0 319.405 0.435 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)cc1 ZINC000313653079 291252603 /nfs/dbraw/zinc/25/26/03/291252603.db2.gz ULUKVPQEUJQUPD-CQSZACIVSA-N 0 0 313.375 0.397 10 0 DCAERN Cn1nncc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328640807 291259659 /nfs/dbraw/zinc/25/96/59/291259659.db2.gz QEZYGCAFVNFNNE-LLVKDONJSA-N 0 0 317.353 0.427 10 0 DCAERN O=C(C/C=C\c1cccc(F)c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000427692216 291260867 /nfs/dbraw/zinc/26/08/67/291260867.db2.gz JHRLOKQCKHFYTL-LSYFEZSPSA-N 0 0 317.320 0.992 10 0 DCAERN O=C(C/C=C\c1cccc(F)c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000427692217 291260887 /nfs/dbraw/zinc/26/08/87/291260887.db2.gz JHRLOKQCKHFYTL-QDOCKXBDSA-N 0 0 317.320 0.992 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281468862 216323574 /nfs/dbraw/zinc/32/35/74/216323574.db2.gz HXODQJUSWBHWFM-UTUOFQBUSA-N 0 0 305.382 0.457 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281468850 216322702 /nfs/dbraw/zinc/32/27/02/216322702.db2.gz HXODQJUSWBHWFM-GRYCIOLGSA-N 0 0 305.382 0.457 10 0 DCAERN CO[C@@]1(C)CCCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408336066 294132652 /nfs/dbraw/zinc/13/26/52/294132652.db2.gz YDFHEVIGHNEVHA-XQQFMLRXSA-N 0 0 306.428 0.841 10 0 DCAERN O=C1[C@H]2COCCN2C(=O)N1c1cccc(N2CCOCC2)c1 ZINC000567212929 291342415 /nfs/dbraw/zinc/34/24/15/291342415.db2.gz PYDYBLLWJXUDRX-CQSZACIVSA-N 0 0 317.345 0.691 10 0 DCAERN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC23CCC3)c1 ZINC000441521797 240524365 /nfs/dbraw/zinc/52/43/65/240524365.db2.gz QJVLBJVCEFANDR-UHFFFAOYSA-N 0 0 323.374 0.428 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)no1 ZINC000442117466 240539651 /nfs/dbraw/zinc/53/96/51/240539651.db2.gz AMZZUPIKYVCEDW-SECBINFHSA-N 0 0 321.381 0.930 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H]1CCCOC1 ZINC000341623003 291345927 /nfs/dbraw/zinc/34/59/27/291345927.db2.gz KTAPHWABEQBOFF-QJPTWQEYSA-N 0 0 305.396 0.817 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)nc2)C1 ZINC000091667871 193087903 /nfs/dbraw/zinc/08/79/03/193087903.db2.gz MFWCAYJHTPBLRO-JTQLQIEISA-N 0 0 314.183 0.905 10 0 DCAERN COC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091767587 193103722 /nfs/dbraw/zinc/10/37/22/193103722.db2.gz KDOMDMSCRBFLHZ-CABZTGNLSA-N 0 0 314.288 0.955 10 0 DCAERN COc1cccc(/C(C)=C/C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091785205 193107483 /nfs/dbraw/zinc/10/74/83/193107483.db2.gz WZGDFRUHKLZLPS-BMGYJQCNSA-N 0 0 304.346 0.811 10 0 DCAERN CC(C)Cc1ncc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 ZINC000091867073 193120706 /nfs/dbraw/zinc/12/07/06/193120706.db2.gz KKWFEPBDPRABKO-LLVKDONJSA-N 0 0 322.434 0.484 10 0 DCAERN COc1ccc2c(c1)CN(C(=O)CN1CCOCC1=O)CCO2 ZINC000456183799 240884040 /nfs/dbraw/zinc/88/40/40/240884040.db2.gz JCVFGEJTWDRTGK-UHFFFAOYSA-N 0 0 320.345 0.275 10 0 DCAERN C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000457471441 241007998 /nfs/dbraw/zinc/00/79/98/241007998.db2.gz BGBCOWYJUKFEIW-OCCSQVGLSA-N 0 0 303.366 0.742 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457768464 241033707 /nfs/dbraw/zinc/03/37/07/241033707.db2.gz SICBWFDSIGYOOF-NGDQXYMTSA-N 0 0 324.377 0.174 10 0 DCAERN COC(=O)c1ccc(N2CCN(C(C)(C)C(=O)OC)CC2)nn1 ZINC000489870167 241096973 /nfs/dbraw/zinc/09/69/73/241096973.db2.gz BNYPGODUYKOZIK-UHFFFAOYSA-N 0 0 322.365 0.337 10 0 DCAERN Cc1csc(CCNC(=O)C2CCN(CC(N)=O)CC2)n1 ZINC000092098116 193157499 /nfs/dbraw/zinc/15/74/99/193157499.db2.gz FMEDEVVLHCFCNC-UHFFFAOYSA-N 0 0 310.423 0.308 10 0 DCAERN CNC(=O)[C@@H]1CCCN1Cc1ccccc1OCC(=O)N(C)C ZINC000092098741 193158627 /nfs/dbraw/zinc/15/86/27/193158627.db2.gz AQUZWKNXHOYCSO-AWEZNQCLSA-N 0 0 319.405 0.864 10 0 DCAERN CCC[C@](C)(NC(=O)[C@@H](NC(N)=O)[C@H](C)CC)C(=O)OC ZINC000252372855 284008345 /nfs/dbraw/zinc/00/83/45/284008345.db2.gz MFNKGBJBIGKUMT-BFVZDQMLSA-N 0 0 301.387 0.917 10 0 DCAERN CC(C)(C)c1cc(NC(=O)CN2CCOC[C@H]2C(N)=O)on1 ZINC000092228851 193176933 /nfs/dbraw/zinc/17/69/33/193176933.db2.gz BVCSOLDJEISCTI-VIFPVBQESA-N 0 0 310.354 0.097 10 0 DCAERN Cc1c(O)ccc2c(CN3CCOC[C@H]3C(N)=O)cc(=O)oc12 ZINC000092229957 193177347 /nfs/dbraw/zinc/17/73/47/193177347.db2.gz IKGLPLHCASSDCV-LBPRGKRZSA-N 0 0 318.329 0.493 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000367675940 291444093 /nfs/dbraw/zinc/44/40/93/291444093.db2.gz RGZYKBOHVFVNDJ-IPNGBCKKSA-N 0 0 311.378 0.981 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)[C@@H]1CCNC(=O)C1 ZINC000568903877 291453261 /nfs/dbraw/zinc/45/32/61/291453261.db2.gz ZIXZOCPMGPHNGL-NEPJUHHUSA-N 0 0 304.346 0.859 10 0 DCAERN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC(O)C1 ZINC000568943683 291453474 /nfs/dbraw/zinc/45/34/74/291453474.db2.gz GDIRNXDNHHKRCJ-CQSZACIVSA-N 0 0 323.368 0.853 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000282222028 216834403 /nfs/dbraw/zinc/83/44/03/216834403.db2.gz MZCSDWJYXCDGSJ-DMDPSCGWSA-N 0 0 305.382 0.586 10 0 DCAERN CCCN1CCN(C(=O)COc2cnn(C)c2)C(C)(C)C1=O ZINC000569744419 291494211 /nfs/dbraw/zinc/49/42/11/291494211.db2.gz CZCSVMIYZCRMHG-UHFFFAOYSA-N 0 0 308.382 0.658 10 0 DCAERN CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096100477 193536532 /nfs/dbraw/zinc/53/65/32/193536532.db2.gz MDAFNBHJEXLDJY-NEPJUHHUSA-N 0 0 314.432 0.925 10 0 DCAERN C[C@@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)NC1CC1 ZINC000173630313 296159012 /nfs/dbraw/zinc/15/90/12/296159012.db2.gz DBKVIQLYUDJZBC-NXEZZACHSA-N 0 0 320.397 0.642 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC(=O)N1C ZINC000282447705 217000814 /nfs/dbraw/zinc/00/08/14/217000814.db2.gz SDLHPAJUZYKAPR-VIFPVBQESA-N 0 0 303.318 0.320 10 0 DCAERN Cc1ccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1S(C)(=O)=O ZINC000282508711 217050479 /nfs/dbraw/zinc/05/04/79/217050479.db2.gz XVMZSUFLDFSJIU-NSHDSACASA-N 0 0 324.402 0.701 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCC1=O ZINC000265664446 204781243 /nfs/dbraw/zinc/78/12/43/204781243.db2.gz PODLGKGZNIENHM-JQWIXIFHSA-N 0 0 319.336 0.989 10 0 DCAERN O=C(CCc1nc2ccccc2oc1=O)N[C@H]1CNC(=O)C1 ZINC000572683832 291583212 /nfs/dbraw/zinc/58/32/12/291583212.db2.gz JKVTXHCAMIRUSL-SECBINFHSA-N 0 0 301.302 0.125 10 0 DCAERN CN1C(=O)c2ccc(C(=O)N3CCO[C@H](CCO)C3)cc2C1=O ZINC000020639003 182240987 /nfs/dbraw/zinc/24/09/87/182240987.db2.gz XWJJFAMIYWCSBB-LLVKDONJSA-N 0 0 318.329 0.136 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000572750253 291587003 /nfs/dbraw/zinc/58/70/03/291587003.db2.gz UKGFVNATWJYWLQ-CMPLNLGQSA-N 0 0 307.394 0.609 10 0 DCAERN CN(CCOC[C@H](O)c1ccccc1)C(=O)[C@@H]1CCC(=O)N1 ZINC000033898836 182726019 /nfs/dbraw/zinc/72/60/19/182726019.db2.gz BXAQKALRPZNHEI-KBPBESRZSA-N 0 0 306.362 0.474 10 0 DCAERN O=C1COc2ccc(S(=O)(=O)NCc3cn[nH]c3)cc2N1 ZINC000038007207 182960337 /nfs/dbraw/zinc/96/03/37/182960337.db2.gz UZXRBPPEGLAIAK-UHFFFAOYSA-N 0 0 308.319 0.219 10 0 DCAERN C[C@@]1(NS(=O)(=O)c2ccnc(Cl)c2)CCS(=O)(=O)C1 ZINC000038107035 182990950 /nfs/dbraw/zinc/99/09/50/182990950.db2.gz MLNKOZXUGBVQDR-SNVBAGLBSA-N 0 0 324.811 0.591 10 0 DCAERN OCCOCCOCCOC[C@@H](O)COCc1ccccc1 ZINC000039267886 183015504 /nfs/dbraw/zinc/01/55/04/183015504.db2.gz OZOWNSQDUGHOIG-MRXNPFEDSA-N 0 0 314.378 0.606 10 0 DCAERN O=S(=O)(NCCOCCO)c1c(Cl)nc2ccccn21 ZINC000040805601 183135884 /nfs/dbraw/zinc/13/58/84/183135884.db2.gz CAPBGYOSBQAVDS-UHFFFAOYSA-N 0 0 319.770 0.275 10 0 DCAERN CCN(C[C@@H](C)C(N)=S)S(=O)(=O)c1c(C)n[nH]c1C ZINC000042444031 183271096 /nfs/dbraw/zinc/27/10/96/183271096.db2.gz ZIQIEAOLJVHMGC-SSDOTTSWSA-N 0 0 304.441 0.959 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1cc(Cl)ccc1N ZINC000042483735 183276362 /nfs/dbraw/zinc/27/63/62/183276362.db2.gz MFICKMKEUQQLNE-VIFPVBQESA-N 0 0 308.787 0.550 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1sc(Cl)nc1C ZINC000042525480 183280390 /nfs/dbraw/zinc/28/03/90/183280390.db2.gz KGEUIEGTQZNXEV-ZETCQYMHSA-N 0 0 314.816 0.733 10 0 DCAERN C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)N1CCc2ccccc21 ZINC000042726547 183302797 /nfs/dbraw/zinc/30/27/97/183302797.db2.gz XCLANHOKVNOSJF-PWSUYJOCSA-N 0 0 316.361 0.152 10 0 DCAERN O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@]2(CCOC2)C1 ZINC000187156045 284671346 /nfs/dbraw/zinc/67/13/46/284671346.db2.gz OQTLIZJRHXMGAL-HNNXBMFYSA-N 0 0 303.318 0.488 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000043782597 183385634 /nfs/dbraw/zinc/38/56/34/183385634.db2.gz XLNUZXRUGUYZEZ-LBPRGKRZSA-N 0 0 320.397 0.271 10 0 DCAERN CC1(C)O[C@@H]2[C@H](CO)O[C@H](n3cnc4c3nc[nH]c4=S)[C@H]2O1 ZINC000105030107 194066113 /nfs/dbraw/zinc/06/61/13/194066113.db2.gz HXZCOKXEDYVENB-CIPNSKCISA-N 0 0 324.362 0.525 10 0 DCAERN NC(=O)COc1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000105108953 194074502 /nfs/dbraw/zinc/07/45/02/194074502.db2.gz XQHCUMVHMXKPPW-UHFFFAOYSA-N 0 0 318.377 0.863 10 0 DCAERN CCCOc1ncccc1CNC(=O)N1CCNC(=O)CC1 ZINC000105192540 194083974 /nfs/dbraw/zinc/08/39/74/194083974.db2.gz YXTKTYCVVNRIKD-UHFFFAOYSA-N 0 0 306.366 0.902 10 0 DCAERN O=C(NCc1cc[nH]n1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000574774679 291715302 /nfs/dbraw/zinc/71/53/02/291715302.db2.gz SJSVOTBCQASFPO-DGCLKSJQSA-N 0 0 308.382 0.777 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000105282449 194092430 /nfs/dbraw/zinc/09/24/30/194092430.db2.gz PITMAXFOOVEIQE-CYBMUJFWSA-N 0 0 316.365 0.719 10 0 DCAERN CN(C(=O)CN1CCCN(Cc2cnn(C)c2)CC1)C1CC1 ZINC000105870016 194151980 /nfs/dbraw/zinc/15/19/80/194151980.db2.gz FVGMNXWUNGYNAN-UHFFFAOYSA-N 0 0 305.426 0.549 10 0 DCAERN CCCn1cc(CN2CCCN(C(=O)CNC(C)=O)CC2)cn1 ZINC000105875257 194153086 /nfs/dbraw/zinc/15/30/86/194153086.db2.gz NADASJNMBLCTKM-UHFFFAOYSA-N 0 0 321.425 0.464 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889902 194159023 /nfs/dbraw/zinc/15/90/23/194159023.db2.gz CDWSTCSKXZCUAJ-KGLIPLIRSA-N 0 0 310.398 0.125 10 0 DCAERN CN(C)C[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCO1 ZINC000105904354 194166828 /nfs/dbraw/zinc/16/68/28/194166828.db2.gz YYEWKBHGEQGDPW-CQSZACIVSA-N 0 0 312.435 0.723 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000106571891 194231953 /nfs/dbraw/zinc/23/19/53/194231953.db2.gz SUBWYUXNKBUMQN-QWHCGFSZSA-N 0 0 302.378 0.795 10 0 DCAERN C[C@@H](C(=O)NCCOc1ccc(F)cc1F)S(C)(=O)=O ZINC000106656435 194240665 /nfs/dbraw/zinc/24/06/65/194240665.db2.gz AADOIXNTVYSUJK-QMMMGPOBSA-N 0 0 307.318 0.893 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000053701138 183910413 /nfs/dbraw/zinc/91/04/13/183910413.db2.gz VCLUYFIPNOAEIU-CYBMUJFWSA-N 0 0 324.402 0.863 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000110634589 194344627 /nfs/dbraw/zinc/34/46/27/194344627.db2.gz HLOFZQBSOSLKCV-QWRGUYRKSA-N 0 0 306.395 0.908 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)nc(C(F)(F)F)n1 ZINC000187003106 291759730 /nfs/dbraw/zinc/75/97/30/291759730.db2.gz DDNHMFYAMGTCGP-ZCFIWIBFSA-N 0 0 316.239 0.339 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110881158 194365748 /nfs/dbraw/zinc/36/57/48/194365748.db2.gz KTPXMXZJFQOISV-SNVBAGLBSA-N 0 0 318.420 0.868 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000054452042 183940261 /nfs/dbraw/zinc/94/02/61/183940261.db2.gz VTLKOGJCDULLOM-CQSZACIVSA-N 0 0 313.361 0.960 10 0 DCAERN CCCN(CCn1nc2ccccn2c1=O)CC(=O)N(C)C ZINC000056510380 184014060 /nfs/dbraw/zinc/01/40/60/184014060.db2.gz CCGCEKFXTKTVAU-UHFFFAOYSA-N 0 0 305.382 0.296 10 0 DCAERN C[C@H](NS(=O)(=O)CCS(C)(=O)=O)c1cccc(N)c1 ZINC000063142001 184273279 /nfs/dbraw/zinc/27/32/79/184273279.db2.gz YBLHFVIWGIYMLT-VIFPVBQESA-N 0 0 306.409 0.294 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187281285 252613606 /nfs/dbraw/zinc/61/36/06/252613606.db2.gz PDGOEKOLLUDAHP-UHFFFAOYSA-N 0 0 315.333 0.060 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000177796473 252607102 /nfs/dbraw/zinc/60/71/02/252607102.db2.gz DPVISPVFYVRIOY-ZJUUUORDSA-N 0 0 308.382 0.846 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)s1 ZINC000313652508 252642622 /nfs/dbraw/zinc/64/26/22/252642622.db2.gz TVWXPHFBMVDUGU-GFCCVEGCSA-N 0 0 305.421 0.818 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c1 ZINC000313678180 252643610 /nfs/dbraw/zinc/64/36/10/252643610.db2.gz GCAPJOTWROQADH-ZDUSSCGKSA-N 0 0 303.355 0.642 10 0 DCAERN O=C1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)ncn2)CN1C1CC1 ZINC000267570655 296343719 /nfs/dbraw/zinc/34/37/19/296343719.db2.gz AAZYGBQHRRWCSS-DGCLKSJQSA-N 0 0 317.393 0.613 10 0 DCAERN Cn1cnc(CNC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000332997507 252669431 /nfs/dbraw/zinc/66/94/31/252669431.db2.gz AJMSGWKFDBLJIF-WPRPVWTQSA-N 0 0 321.303 0.660 10 0 DCAERN C[C@@H](O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCO1 ZINC000333608532 252744132 /nfs/dbraw/zinc/74/41/32/252744132.db2.gz ROGGBJBLUZXKPR-RJZRQDKASA-N 0 0 323.393 0.496 10 0 DCAERN C[C@H](O)[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCO1 ZINC000334049254 252788022 /nfs/dbraw/zinc/78/80/22/252788022.db2.gz RCDFXSKLLDEGHC-AJNGGQMLSA-N 0 0 312.410 0.238 10 0 DCAERN O=S(=O)(NCCN1CCCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333171282 285040119 /nfs/dbraw/zinc/04/01/19/285040119.db2.gz NUALTCDKGBWKIL-RDBSUJKOSA-N 0 0 302.440 0.817 10 0 DCAERN CN(C(=O)NC1CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336837733 252800884 /nfs/dbraw/zinc/80/08/84/252800884.db2.gz ZPISVXSQAPCEJW-GFCCVEGCSA-N 0 0 303.428 0.994 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)C)C2=O)C1 ZINC000341145833 253349783 /nfs/dbraw/zinc/34/97/83/253349783.db2.gz SAVOLTGVAKETDA-RYUDHWBXSA-N 0 0 311.382 0.590 10 0 DCAERN C[C@@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000345779275 253970300 /nfs/dbraw/zinc/97/03/00/253970300.db2.gz LKUJGECUDOTCDG-NOLJZWGESA-N 0 0 318.373 0.396 10 0 DCAERN O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000187161078 220458061 /nfs/dbraw/zinc/45/80/61/220458061.db2.gz HWFSCXPLAZMTNT-XJKSGUPXSA-N 0 0 308.378 0.405 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000347563544 254168358 /nfs/dbraw/zinc/16/83/58/254168358.db2.gz HKFZNLNFYGLNDL-GHMZBOCLSA-N 0 0 300.380 0.385 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000351870300 254376594 /nfs/dbraw/zinc/37/65/94/254376594.db2.gz LTZNOMQZEDCFTP-IJLUTSLNSA-N 0 0 304.412 0.030 10 0 DCAERN COc1cc2c(cc1F)ncnc2N1CCN(C(=O)CO)CC1 ZINC000302164906 533165881 /nfs/dbraw/zinc/16/58/81/533165881.db2.gz JDFWZKGARPIKSY-UHFFFAOYSA-N 0 0 320.324 0.418 10 0 DCAERN Cn1ncc(CN2CCN(C(=O)CO)CC2)c1C(F)(F)F ZINC000152303647 196803692 /nfs/dbraw/zinc/80/36/92/196803692.db2.gz OIZFXBZOOMWYLT-UHFFFAOYSA-N 0 0 306.288 0.075 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000289519687 221037663 /nfs/dbraw/zinc/03/76/63/221037663.db2.gz BGCLYQPCZMTEJR-UHFFFAOYSA-N 0 0 302.330 0.865 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000248108709 257109549 /nfs/dbraw/zinc/10/95/49/257109549.db2.gz GQQHAUKGAYJXSX-ZIAGYGMSSA-N 0 0 321.402 0.787 10 0 DCAERN CNC(=O)CN1CCO[C@@H]2CN(C(=O)CC3CCCC3)C[C@@H]21 ZINC000247961121 257112520 /nfs/dbraw/zinc/11/25/20/257112520.db2.gz QTFFOMJVJNRBCZ-UONOGXRCSA-N 0 0 309.410 0.224 10 0 DCAERN COCC(=O)NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000247818378 257116752 /nfs/dbraw/zinc/11/67/52/257116752.db2.gz HFCRCMVSECQZBN-LBPRGKRZSA-N 0 0 306.366 0.225 10 0 DCAERN CS(=O)(=O)N1CC2(C1)CC[C@@H](CNc1ncccn1)CO2 ZINC000247498876 257119799 /nfs/dbraw/zinc/11/97/99/257119799.db2.gz DWILIXBMKLLOJT-NSHDSACASA-N 0 0 312.395 0.329 10 0 DCAERN COC(=O)[C@]12CCC[C@@H]1CN(c1nn3c(nccc3=O)s1)C2 ZINC000302150114 533639162 /nfs/dbraw/zinc/63/91/62/533639162.db2.gz HLJKPNCMKMAFAO-OTYXRUKQSA-N 0 0 320.374 0.931 10 0 DCAERN O=C(C[C@@H]1CCCO1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275625975 130351969 /nfs/dbraw/zinc/35/19/69/130351969.db2.gz JJKBBMJCLPWEQT-LBPRGKRZSA-N 0 0 316.365 0.342 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275771025 130381428 /nfs/dbraw/zinc/38/14/28/130381428.db2.gz SFQMIVADBBSFSU-SDDRHHMPSA-N 0 0 321.381 0.628 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)C(=O)N1CCCSCC1 ZINC000284432050 131079929 /nfs/dbraw/zinc/07/99/29/131079929.db2.gz SAXROPIHOGUVBL-UHFFFAOYSA-N 0 0 323.422 0.196 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cs1 ZINC000284434320 131081092 /nfs/dbraw/zinc/08/10/92/131081092.db2.gz JKRCJEAWPGNTQV-NWDGAFQWSA-N 0 0 324.406 0.647 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000284447198 131081560 /nfs/dbraw/zinc/08/15/60/131081560.db2.gz GDFLCRZDOSDLCY-MADCSZMMSA-N 0 0 308.288 0.987 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2c[nH]cn2)CC(C)(C)O1 ZINC000284446221 131081657 /nfs/dbraw/zinc/08/16/57/131081657.db2.gz CCDKSGOOEIUIQD-ZDUSSCGKSA-N 0 0 310.398 0.494 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(OCC3CC3)cn2)C[C@H]1C(N)=O ZINC000284515408 131088412 /nfs/dbraw/zinc/08/84/12/131088412.db2.gz FQTRAJPNFJVBCP-MWLCHTKSSA-N 0 0 304.350 0.459 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000284558020 131091967 /nfs/dbraw/zinc/09/19/67/131091967.db2.gz JEFRNJBFUHMARE-UFBFGSQYSA-N 0 0 316.279 0.748 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c1 ZINC000284890284 131119100 /nfs/dbraw/zinc/11/91/00/131119100.db2.gz ZYPCAIJDPYVWPU-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN O=C(CNC(=O)C1CCCCC1)N[C@H]1COC[C@H]1n1ccnn1 ZINC000285094416 131137462 /nfs/dbraw/zinc/13/74/62/131137462.db2.gz LVKDXZKRXHNQCN-QWHCGFSZSA-N 0 0 321.381 0.031 10 0 DCAERN Cc1ccc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc1C ZINC000285109927 131138540 /nfs/dbraw/zinc/13/85/40/131138540.db2.gz QYMKDGWBOYHSTI-PWSUYJOCSA-N 0 0 300.355 0.890 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)Cc2cnc(C)s2)C1 ZINC000285336206 131159218 /nfs/dbraw/zinc/15/92/18/131159218.db2.gz YVNYWZVDCNDCHX-AWEZNQCLSA-N 0 0 311.407 0.783 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000285585458 131183132 /nfs/dbraw/zinc/18/31/32/131183132.db2.gz QQHHIGPINWOGKO-PUTJDCORSA-N 0 0 324.327 0.907 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)c(C2CC2)n1 ZINC000291739184 131596075 /nfs/dbraw/zinc/59/60/75/131596075.db2.gz LNUANVGSPSDEEV-NSHDSACASA-N 0 0 306.366 0.465 10 0 DCAERN C[C@H]1CN(C(=O)CCc2cncc(F)c2)CCS1(=O)=O ZINC000120925780 132147043 /nfs/dbraw/zinc/14/70/43/132147043.db2.gz GHLQAMKTQMNRSQ-JTQLQIEISA-N 0 0 300.355 0.799 10 0 DCAERN Cc1cnc(N[C@@H]2CCN(C)C2=O)nc1N[C@H]1CCN(C)C1=O ZINC000085687777 395701642 /nfs/dbraw/zinc/70/16/42/395701642.db2.gz CSJNADXKGUXYNO-WDEREUQCSA-N 0 0 318.381 0.070 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O ZINC000087563273 395706450 /nfs/dbraw/zinc/70/64/50/395706450.db2.gz YAZJOQXJACVJGH-ZJUUUORDSA-N 0 0 314.411 0.472 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC2(C1)OCCO2 ZINC000088756584 395708111 /nfs/dbraw/zinc/70/81/11/395708111.db2.gz HCFCHWDTWXTWDP-LLVKDONJSA-N 0 0 321.381 0.834 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)C[C@H]1O ZINC000089426805 395711803 /nfs/dbraw/zinc/71/18/03/395711803.db2.gz YASIHYGMAVHUQX-SMDDNHRTSA-N 0 0 303.362 0.569 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000032828365 395713709 /nfs/dbraw/zinc/71/37/09/395713709.db2.gz TUYOCKFILANZFW-GUIRCDHDSA-N 0 0 313.442 0.761 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O ZINC000089881451 395715715 /nfs/dbraw/zinc/71/57/15/395715715.db2.gz CNQRATFWUAUVFT-LLVKDONJSA-N 0 0 320.349 0.344 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCC[C@H](N2CCNC2=O)C1 ZINC000376613573 304312458 /nfs/dbraw/zinc/31/24/58/304312458.db2.gz YYJRKBBRDQPRLZ-STQMWFEESA-N 0 0 323.393 0.546 10 0 DCAERN CC(=O)Oc1ccc(C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1 ZINC000038236848 395731939 /nfs/dbraw/zinc/73/19/39/395731939.db2.gz RSNOGWYWILWBOI-NSHDSACASA-N 0 0 300.223 0.940 10 0 DCAERN COCc1ccccc1NC(=O)C(=O)NCc1ccnn1C ZINC000041881214 395740157 /nfs/dbraw/zinc/74/01/57/395740157.db2.gz ODRGGKNGTLUKPN-UHFFFAOYSA-N 0 0 302.334 0.821 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000040220858 395733300 /nfs/dbraw/zinc/73/33/00/395733300.db2.gz BHHUHWMXNKFPQB-NSHDSACASA-N 0 0 318.443 0.534 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000040444531 395733685 /nfs/dbraw/zinc/73/36/85/395733685.db2.gz LRSANTKIDMIPSI-GXFFZTMASA-N 0 0 312.391 0.940 10 0 DCAERN C[C@H]1CCN(c2cnn(C)c(=O)c2Br)C[C@@H]1O ZINC000092977770 395735002 /nfs/dbraw/zinc/73/50/02/395735002.db2.gz XHQIWAXDQRIEMF-CBAPKCEASA-N 0 0 302.172 0.750 10 0 DCAERN Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000041601636 395738539 /nfs/dbraw/zinc/73/85/39/395738539.db2.gz AWAJFJWKDBHVMN-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN Cc1ccc(OC[C@@H](O)Cn2cnc3c(cnn3C)c2=O)cc1 ZINC000042757758 395748572 /nfs/dbraw/zinc/74/85/72/395748572.db2.gz CRPMIDUEENMWOW-LBPRGKRZSA-N 0 0 314.345 0.878 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N[C@@H]1CCCCNC1=O ZINC000042154054 395743098 /nfs/dbraw/zinc/74/30/98/395743098.db2.gz PZOHIAHAPMIVTJ-GFCCVEGCSA-N 0 0 314.345 0.181 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)CO)C(C)C ZINC000097204639 395756061 /nfs/dbraw/zinc/75/60/61/395756061.db2.gz RVTFKOSHTGLSAG-FZMZJTMJSA-N 0 0 308.378 0.947 10 0 DCAERN COCCN(CC(=O)Nc1ccccc1F)CC(=O)N(C)C ZINC000097474384 395758073 /nfs/dbraw/zinc/75/80/73/395758073.db2.gz KETMGAHCEPXEDK-UHFFFAOYSA-N 0 0 311.357 0.801 10 0 DCAERN NC(=O)CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000042927623 395750648 /nfs/dbraw/zinc/75/06/48/395750648.db2.gz LTMVOITYXSJOMQ-CQSZACIVSA-N 0 0 317.389 0.459 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@@H]2C1 ZINC000105064516 395780432 /nfs/dbraw/zinc/78/04/32/395780432.db2.gz DDMYJOBYMGULCX-VXGBXAGGSA-N 0 0 301.412 0.053 10 0 DCAERN CCO[C@@H](C(=O)NC[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000193904638 395781751 /nfs/dbraw/zinc/78/17/51/395781751.db2.gz XGQPWNBNOLMUDV-HZPDHXFCSA-N 0 0 322.405 0.574 10 0 DCAERN C[C@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCC1=O ZINC000193922060 395782244 /nfs/dbraw/zinc/78/22/44/395782244.db2.gz JIODIECGUANBRW-JTQLQIEISA-N 0 0 300.314 0.720 10 0 DCAERN CCOC(=O)CC(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000193964942 395783726 /nfs/dbraw/zinc/78/37/26/395783726.db2.gz MWBNDBFMVTVKAY-UHFFFAOYSA-N 0 0 310.354 0.795 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](CC)C1 ZINC000044864586 395759443 /nfs/dbraw/zinc/75/94/43/395759443.db2.gz GJAXHKIJXSPAOW-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN Cc1noc(CCNC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000101619252 395765902 /nfs/dbraw/zinc/76/59/02/395765902.db2.gz WEUZJQNRWVWSGH-UHFFFAOYSA-N 0 0 316.365 0.847 10 0 DCAERN COC(=O)C(C)(C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000045951323 395769205 /nfs/dbraw/zinc/76/92/05/395769205.db2.gz MAPGERZPJCKIHM-VIFPVBQESA-N 0 0 318.329 0.739 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2nncn2C)CC1 ZINC000103491557 395773784 /nfs/dbraw/zinc/77/37/84/395773784.db2.gz FICOFROUVKCGII-CYBMUJFWSA-N 0 0 320.441 0.380 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(F)cc1 ZINC000103958818 395776277 /nfs/dbraw/zinc/77/62/77/395776277.db2.gz HUUDWUMOVKOQDV-LBPRGKRZSA-N 0 0 307.325 0.293 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000104359894 395778527 /nfs/dbraw/zinc/77/85/27/395778527.db2.gz IQRIHMUCLWYBTG-CQSZACIVSA-N 0 0 313.357 0.808 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618670 395802559 /nfs/dbraw/zinc/80/25/59/395802559.db2.gz NVHNNDFSQYJIQU-INIZCTEOSA-N 0 0 314.389 0.862 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000194615957 395803011 /nfs/dbraw/zinc/80/30/11/395803011.db2.gz WFECXAPWVJZIIH-OAHLLOKOSA-N 0 0 306.362 0.715 10 0 DCAERN CCOc1ccc(OCC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000194638984 395803319 /nfs/dbraw/zinc/80/33/19/395803319.db2.gz HFNSXDXVTHASMX-HNNXBMFYSA-N 0 0 308.378 0.911 10 0 DCAERN CN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2C1=O ZINC000194714786 395804389 /nfs/dbraw/zinc/80/43/89/395804389.db2.gz MIVPAWHBNUBUAB-NSHDSACASA-N 0 0 301.346 0.736 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)NCc2ccnn2C)c1 ZINC000111451195 395809069 /nfs/dbraw/zinc/80/90/69/395809069.db2.gz YGHMXXDMZLTXNV-AWEZNQCLSA-N 0 0 304.350 0.962 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111630370 395810624 /nfs/dbraw/zinc/81/06/24/395810624.db2.gz LCCYHBUMPNMBQH-SECBINFHSA-N 0 0 310.741 0.230 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cn3ccc(C)cc3=O)[C@@H]2C1 ZINC000194953258 395811828 /nfs/dbraw/zinc/81/18/28/395811828.db2.gz SOWNOGBOXRKAGD-KFWWJZLASA-N 0 0 320.389 0.952 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3ccc[nH]c3=O)CC2)no1 ZINC000195033107 395813966 /nfs/dbraw/zinc/81/39/66/395813966.db2.gz CQDUFWCBUCLDRX-UHFFFAOYSA-N 0 0 317.349 0.827 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000112303351 395815057 /nfs/dbraw/zinc/81/50/57/395815057.db2.gz NGMMBXJOMDLQEU-JOCHJYFZSA-N 0 0 323.418 0.993 10 0 DCAERN COc1c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(C)nn1C ZINC000112297846 395815412 /nfs/dbraw/zinc/81/54/12/395815412.db2.gz FTPKMVOFCNBBEV-LBPRGKRZSA-N 0 0 319.365 0.475 10 0 DCAERN CCCCOC(=O)CCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000048546476 395817328 /nfs/dbraw/zinc/81/73/28/395817328.db2.gz FHPVLCWJDPZVDL-UHFFFAOYSA-N 0 0 308.338 0.167 10 0 DCAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648297 395820202 /nfs/dbraw/zinc/82/02/02/395820202.db2.gz NVTIMDIRUUTMBX-UWVGGRQHSA-N 0 0 309.370 0.622 10 0 DCAERN O=Cc1cccc(OCCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112648660 395820273 /nfs/dbraw/zinc/82/02/73/395820273.db2.gz YRWPZEAFMUOXJK-ZDUSSCGKSA-N 0 0 314.345 0.991 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112647407 395820341 /nfs/dbraw/zinc/82/03/41/395820341.db2.gz QIMOPTGFWLDXBT-FIKIJFGZSA-N 0 0 304.375 0.760 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@H](C)CC2CC2)CC1 ZINC000112708062 395822751 /nfs/dbraw/zinc/82/27/51/395822751.db2.gz ODCXEVWVOMRIGM-SNVBAGLBSA-N 0 0 304.412 0.894 10 0 DCAERN COc1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1O ZINC000112744459 395824164 /nfs/dbraw/zinc/82/41/64/395824164.db2.gz UCQYRNYLFNONKC-NSHDSACASA-N 0 0 317.349 0.807 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000195456898 395827626 /nfs/dbraw/zinc/82/76/26/395827626.db2.gz JIPIFCHYMTZLMH-JTQLQIEISA-N 0 0 318.420 0.761 10 0 DCAERN O=C(CNC(=O)[C@@H]1CNC(=O)C1)OCc1ccccc1Cl ZINC000113221302 395828450 /nfs/dbraw/zinc/82/84/50/395828450.db2.gz ZWVYALXFTPXABW-JTQLQIEISA-N 0 0 310.737 0.636 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000113272620 395829293 /nfs/dbraw/zinc/82/92/93/395829293.db2.gz KJRRQYWSVXGYJN-SNVBAGLBSA-N 0 0 320.436 0.800 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000049240807 395829567 /nfs/dbraw/zinc/82/95/67/395829567.db2.gz PXAUGEXLTPVTNQ-LLVKDONJSA-N 0 0 304.318 0.864 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)N3CCOCC3)C2)no1 ZINC000195517799 395830963 /nfs/dbraw/zinc/83/09/63/395830963.db2.gz WWGFLAMWGJEVIG-CYBMUJFWSA-N 0 0 308.382 0.491 10 0 DCAERN CS(=O)(=O)NCCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471179 395834922 /nfs/dbraw/zinc/83/49/22/395834922.db2.gz KOVZARHEKVTFRZ-VIFPVBQESA-N 0 0 318.424 0.095 10 0 DCAERN COC(=O)[C@@]1(NC(=O)c2sc3nccn3c2C)CCOC1 ZINC000271092226 395837629 /nfs/dbraw/zinc/83/76/29/395837629.db2.gz HSKXIBWMDOWCQY-CYBMUJFWSA-N 0 0 309.347 0.766 10 0 DCAERN CC(C)CN(CC(N)=O)C(=O)c1cccc(-n2cncn2)c1 ZINC000115329013 395838270 /nfs/dbraw/zinc/83/82/70/395838270.db2.gz XLEDHMVPEXSMAQ-UHFFFAOYSA-N 0 0 301.350 0.851 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000050856716 395841774 /nfs/dbraw/zinc/84/17/74/395841774.db2.gz FQYFRDHIHUUGIR-RYUDHWBXSA-N 0 0 310.737 0.356 10 0 DCAERN CCc1cccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000118115416 395860593 /nfs/dbraw/zinc/86/05/93/395860593.db2.gz ZJBBVBRPKKBHHT-CQSZACIVSA-N 0 0 305.378 0.634 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1=O ZINC000116552727 395844679 /nfs/dbraw/zinc/84/46/79/395844679.db2.gz BESDOWOGZZFEGX-JSGCOSHPSA-N 0 0 319.409 0.928 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000116832211 395847032 /nfs/dbraw/zinc/84/70/32/395847032.db2.gz NKIFQHNOPVPPHS-VIFPVBQESA-N 0 0 304.318 0.729 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000116834417 395847109 /nfs/dbraw/zinc/84/71/09/395847109.db2.gz UWFDJLCGPVTCOX-CYBMUJFWSA-N 0 0 322.386 0.613 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000116872965 395847976 /nfs/dbraw/zinc/84/79/76/395847976.db2.gz HCRWWNXXLSKHAO-ZETCQYMHSA-N 0 0 310.301 0.623 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccccn1 ZINC000116938053 395849549 /nfs/dbraw/zinc/84/95/49/395849549.db2.gz LBPBPJSFPZKMEJ-MNOVXSKESA-N 0 0 312.395 0.476 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000116929945 395849714 /nfs/dbraw/zinc/84/97/14/395849714.db2.gz MMKIZQXVSUGKHY-NSHDSACASA-N 0 0 301.343 0.981 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC(=O)N(C)C)C2)n1 ZINC000117026525 395850712 /nfs/dbraw/zinc/85/07/12/395850712.db2.gz YTPARGLIUNYXCK-ZDUSSCGKSA-N 0 0 322.413 0.405 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000117522597 395853072 /nfs/dbraw/zinc/85/30/72/395853072.db2.gz DJZOBPKIVJFBSN-GFCCVEGCSA-N 0 0 323.368 0.943 10 0 DCAERN Cc1cnn(CCNC(=O)CNC(=O)COc2ccccc2)c1 ZINC000117812658 395854869 /nfs/dbraw/zinc/85/48/69/395854869.db2.gz WRMQHOPPBBZWOH-UHFFFAOYSA-N 0 0 316.361 0.503 10 0 DCAERN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000223504843 395855691 /nfs/dbraw/zinc/85/56/91/395855691.db2.gz VWWMFHPXWQGRBL-KGLIPLIRSA-N 0 0 321.377 0.650 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000117927876 395856460 /nfs/dbraw/zinc/85/64/60/395856460.db2.gz GQJFFFZZJOOOOM-UHFFFAOYSA-N 0 0 303.775 0.557 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@H]1CNC(=O)C1 ZINC000117984375 395857309 /nfs/dbraw/zinc/85/73/09/395857309.db2.gz FOVMAWARMQFORN-SNVBAGLBSA-N 0 0 308.407 0.538 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000047474937 395793946 /nfs/dbraw/zinc/79/39/46/395793946.db2.gz CKSIFFCUGYTWFP-MNOVXSKESA-N 0 0 317.345 0.326 10 0 DCAERN COC(=O)c1ccc(N2CCN(Cc3nccn3C)CC2)nn1 ZINC000108952235 395795658 /nfs/dbraw/zinc/79/56/58/395795658.db2.gz APDCGJSLBRETHK-UHFFFAOYSA-N 0 0 316.365 0.319 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCOc2ccc(C=O)cc2)C1 ZINC000109264571 395797452 /nfs/dbraw/zinc/79/74/52/395797452.db2.gz PRDDRJKXPRRYMO-HNNXBMFYSA-N 0 0 306.362 0.715 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000194517709 395799072 /nfs/dbraw/zinc/79/90/72/395799072.db2.gz PYJRVYDQDSSEEZ-JTQLQIEISA-N 0 0 316.365 0.492 10 0 DCAERN C(c1nnnn1C1CC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000109820784 395799811 /nfs/dbraw/zinc/79/98/11/395799811.db2.gz PQPFMSVDWWNTHF-CQSZACIVSA-N 0 0 306.414 0.695 10 0 DCAERN O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110455428 395800746 /nfs/dbraw/zinc/80/07/46/395800746.db2.gz IDNRSPVACGXSIN-KBPBESRZSA-N 0 0 308.403 0.942 10 0 DCAERN Cc1ccc(CCNC(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000111031604 395802406 /nfs/dbraw/zinc/80/24/06/395802406.db2.gz ZVLMGRMECYUELF-UHFFFAOYSA-N 0 0 304.350 0.379 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CC[C@H](N2CC=CC2)C1 ZINC000124571441 395900780 /nfs/dbraw/zinc/90/07/80/395900780.db2.gz TZZNTWGWEMUNGU-STQMWFEESA-N 0 0 313.423 0.219 10 0 DCAERN CCN(C)S(=O)(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000245454824 395930020 /nfs/dbraw/zinc/93/00/20/395930020.db2.gz HNWMXQSHZAHSGV-ZDUSSCGKSA-N 0 0 311.407 0.920 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cccnn3)C2)C1 ZINC000245470557 395930082 /nfs/dbraw/zinc/93/00/82/395930082.db2.gz WNTVZPFZBRHCRU-UONOGXRCSA-N 0 0 319.409 0.282 10 0 DCAERN Cc1oc(C(=O)N(C)[C@@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000126047629 395909135 /nfs/dbraw/zinc/90/91/35/395909135.db2.gz WAVDTEKDFWGWBP-QMMMGPOBSA-N 0 0 304.368 0.291 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000126244982 395911149 /nfs/dbraw/zinc/91/11/49/395911149.db2.gz ABFPRQBDYSIOCE-UHFFFAOYSA-N 0 0 301.350 0.738 10 0 DCAERN Cc1cccc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000055276998 395915577 /nfs/dbraw/zinc/91/55/77/395915577.db2.gz WBILKLZBYRBQPK-UHFFFAOYSA-N 0 0 308.363 0.306 10 0 DCAERN OC[C@@H]1CCN(c2ncc(I)cn2)C1 ZINC000128009856 395916601 /nfs/dbraw/zinc/91/66/01/395916601.db2.gz GRMIBSSEWCQNNB-SSDOTTSWSA-N 0 0 305.119 0.900 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000128598340 395918502 /nfs/dbraw/zinc/91/85/02/395918502.db2.gz PZJGHHRZACRBSD-STQMWFEESA-N 0 0 305.382 0.887 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCn2cccn2)[C@H]1c1cccnc1 ZINC000129171541 395919777 /nfs/dbraw/zinc/91/97/77/395919777.db2.gz FRVAKHZXZZQBIW-UKRRQHHQSA-N 0 0 313.361 0.614 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3ccnc(C)n3)CC2)nn1 ZINC000273486117 395924580 /nfs/dbraw/zinc/92/45/80/395924580.db2.gz LFKZJLDDGFVZGC-UHFFFAOYSA-N 0 0 313.365 0.261 10 0 DCAERN Cn1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)ccc1=O ZINC000131561124 395925122 /nfs/dbraw/zinc/92/51/22/395925122.db2.gz DDOZZOIIFGOVOW-ZDUSSCGKSA-N 0 0 314.345 0.603 10 0 DCAERN COc1ccc([C@H](C)NC(=O)CS(C)(=O)=O)cc1OC ZINC000244327749 395925279 /nfs/dbraw/zinc/92/52/79/395925279.db2.gz XMDOIFITZYRARC-VIFPVBQESA-N 0 0 301.364 0.926 10 0 DCAERN CN(CC(N)=O)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000056058543 395925598 /nfs/dbraw/zinc/92/55/98/395925598.db2.gz GFAHVKZWOQRUCO-ZANVPECISA-N 0 0 302.396 0.129 10 0 DCAERN CC(=O)NCC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000056070546 395926423 /nfs/dbraw/zinc/92/64/23/395926423.db2.gz QXRPBXSOIMDJTJ-GFCCVEGCSA-N 0 0 317.455 0.811 10 0 DCAERN C[C@@H](O)CCNC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000118720235 395863966 /nfs/dbraw/zinc/86/39/66/395863966.db2.gz XQBFWRSFUIPYBT-LLVKDONJSA-N 0 0 300.380 0.242 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC1(CO)CCCC1 ZINC000228067374 395870465 /nfs/dbraw/zinc/87/04/65/395870465.db2.gz KRTJDNJPZFBHJF-UHFFFAOYSA-N 0 0 307.803 0.905 10 0 DCAERN O[C@H](COCc1ccco1)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229554893 395875318 /nfs/dbraw/zinc/87/53/18/395875318.db2.gz YJPVEXXILYLQJC-DZGCQCFKSA-N 0 0 322.365 0.150 10 0 DCAERN O[C@@H](COCc1ccco1)CN1CCO[C@@H](Cn2cncn2)C1 ZINC000229554879 395875526 /nfs/dbraw/zinc/87/55/26/395875526.db2.gz YJPVEXXILYLQJC-UKRRQHHQSA-N 0 0 322.365 0.150 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000119809058 395876821 /nfs/dbraw/zinc/87/68/21/395876821.db2.gz VIMLYTIQSCPAPW-GFCCVEGCSA-N 0 0 322.434 0.734 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000119879450 395878306 /nfs/dbraw/zinc/87/83/06/395878306.db2.gz KTEANAVUSYYSPW-LBPRGKRZSA-N 0 0 309.366 0.700 10 0 DCAERN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1C(N)=O ZINC000120072296 395880671 /nfs/dbraw/zinc/88/06/71/395880671.db2.gz AEQSRXJAMXMAPK-NSHDSACASA-N 0 0 314.349 0.822 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245416275 395928695 /nfs/dbraw/zinc/92/86/95/395928695.db2.gz DZVCWGMSQCJQDI-RBSFLKMASA-N 0 0 324.421 0.899 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000245526794 395931377 /nfs/dbraw/zinc/93/13/77/395931377.db2.gz PLAYPVSHQORTNP-ZDUSSCGKSA-N 0 0 315.443 0.967 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCc2noc(C)n2)c1 ZINC000134996079 395936081 /nfs/dbraw/zinc/93/60/81/395936081.db2.gz AKGARWFENPOQNP-UHFFFAOYSA-N 0 0 310.335 0.216 10 0 DCAERN Cc1oc(C(=O)N[C@@H]2CCO[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000135359872 395939628 /nfs/dbraw/zinc/93/96/28/395939628.db2.gz NMMRYKWMKHXQBG-PSASIEDQSA-N 0 0 316.379 0.746 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3cc(C)nn3C)[C@@H]2C1 ZINC000246061596 395939901 /nfs/dbraw/zinc/93/99/01/395939901.db2.gz BHZDNPZUZJHJRM-MGPQQGTHSA-N 0 0 322.409 0.935 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CNC(=O)C(C)(C)C ZINC000248864750 395999177 /nfs/dbraw/zinc/99/91/77/395999177.db2.gz SRZZIWQLKQRFKN-GVXVVHGQSA-N 0 0 310.394 0.949 10 0 DCAERN Cc1cnn(CCNc2cc(N3CCN(C)C(=O)C3)ncn2)c1 ZINC000274368808 395943172 /nfs/dbraw/zinc/94/31/72/395943172.db2.gz POGDTAKNUFNTTM-UHFFFAOYSA-N 0 0 315.381 0.372 10 0 DCAERN C[C@@H](NC(=O)CN1CCCC[C@H]1c1cn[nH]c1)C(=O)N(C)C ZINC000246327387 395946844 /nfs/dbraw/zinc/94/68/44/395946844.db2.gz GHXLSBLUXPHMJA-YPMHNXCESA-N 0 0 307.398 0.530 10 0 DCAERN CC(C)Cc1nnc(NC(=O)CN2CCNC(=O)CC2)s1 ZINC000137067753 395950285 /nfs/dbraw/zinc/95/02/85/395950285.db2.gz KRSDKXXWAUBDLJ-UHFFFAOYSA-N 0 0 311.411 0.497 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@]2(O)CCc3ccccc32)C1 ZINC000246553426 395952698 /nfs/dbraw/zinc/95/26/98/395952698.db2.gz LHDTWHFFJDZQKJ-YOEHRIQHSA-N 0 0 319.405 0.450 10 0 DCAERN CCOCCN1CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1C ZINC000246659020 395954880 /nfs/dbraw/zinc/95/48/80/395954880.db2.gz WCRKFFQAQXEVNW-KBPBESRZSA-N 0 0 306.472 0.710 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[C@H](C)O ZINC000246819687 395958714 /nfs/dbraw/zinc/95/87/14/395958714.db2.gz BCOWLYKTAVBUIX-FRRDWIJNSA-N 0 0 320.455 0.714 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000274558906 395958790 /nfs/dbraw/zinc/95/87/90/395958790.db2.gz IWWQWDOJBDUKGS-ZJUUUORDSA-N 0 0 321.424 0.099 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246878599 395960224 /nfs/dbraw/zinc/96/02/24/395960224.db2.gz GKQMSRSTEXTENJ-ZNMIVQPWSA-N 0 0 314.426 0.607 10 0 DCAERN C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000246938782 395961847 /nfs/dbraw/zinc/96/18/47/395961847.db2.gz BYGZTAFCBUHTMT-WOPDTQHZSA-N 0 0 319.365 0.997 10 0 DCAERN O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCO[C@@]2(CCOC2)C1 ZINC000274619956 395962351 /nfs/dbraw/zinc/96/23/51/395962351.db2.gz FPJHLTYEPZQPRP-DOMZBBRYSA-N 0 0 306.366 0.988 10 0 DCAERN Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)[C@@H](C)O)C3=O)cn1 ZINC000144520239 395962781 /nfs/dbraw/zinc/96/27/81/395962781.db2.gz RWNCXMGICOIFAI-NWDGAFQWSA-N 0 0 316.361 0.568 10 0 DCAERN [O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@]21N1CCOCC1 ZINC000145766736 395964371 /nfs/dbraw/zinc/96/43/71/395964371.db2.gz LQQLVRMAHGKYSA-PSOPSSQASA-N 0 0 305.358 0.784 10 0 DCAERN C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)CC(F)(F)F)C[C@H]1C ZINC000247019001 395964962 /nfs/dbraw/zinc/96/49/62/395964962.db2.gz CPSSIHRLFSNSBB-MNOVXSKESA-N 0 0 311.348 0.394 10 0 DCAERN O=C(Cn1cnnn1)N1CCC(c2nnc3ccccn32)CC1 ZINC000061211870 395967022 /nfs/dbraw/zinc/96/70/22/395967022.db2.gz UHISFIUPDVGAQT-UHFFFAOYSA-N 0 0 312.337 0.122 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000274682373 395967115 /nfs/dbraw/zinc/96/71/15/395967115.db2.gz SNJGOJONXSGDJW-SECBINFHSA-N 0 0 313.301 0.591 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000247166946 395968028 /nfs/dbraw/zinc/96/80/28/395968028.db2.gz APRCDPLFZAOILW-IJLUTSLNSA-N 0 0 300.424 0.965 10 0 DCAERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000247243671 395969407 /nfs/dbraw/zinc/96/94/07/395969407.db2.gz TYKNMIWHEXAVSM-IDFMNXDXSA-N 0 0 315.439 0.598 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C[C@@H](O)COCC(C)C)CCO2)c1 ZINC000247223713 395969456 /nfs/dbraw/zinc/96/94/56/395969456.db2.gz QRPQWGQISXQEBU-CVEARBPZSA-N 0 0 311.426 0.926 10 0 DCAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)[nH]1 ZINC000247240924 395969979 /nfs/dbraw/zinc/96/99/79/395969979.db2.gz XXPLRYYOOXQQIW-HIFRSBDPSA-N 0 0 318.377 0.926 10 0 DCAERN CN(CCC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000150888914 395973960 /nfs/dbraw/zinc/97/39/60/395973960.db2.gz QGFBOVIMVGMABW-NSHDSACASA-N 0 0 323.397 0.966 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CNC(=O)c1cccnc1 ZINC000274756380 395974031 /nfs/dbraw/zinc/97/40/31/395974031.db2.gz HSQZFBBXKIDQSN-ZDUSSCGKSA-N 0 0 305.334 0.018 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000150966413 395976256 /nfs/dbraw/zinc/97/62/56/395976256.db2.gz DPULNIUTOXACLU-MRVPVSSYSA-N 0 0 305.363 0.878 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000151018449 395977369 /nfs/dbraw/zinc/97/73/69/395977369.db2.gz FEFGQVRBFQNLKZ-VIFPVBQESA-N 0 0 307.272 0.813 10 0 DCAERN C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCS1(=O)=O ZINC000151052627 395977623 /nfs/dbraw/zinc/97/76/23/395977623.db2.gz JCXOJNPYRWFLJK-HIFRSBDPSA-N 0 0 313.419 0.683 10 0 DCAERN C[C@H](NC(=O)NCCN1CCOCC1)c1nnc2n1CCCC2 ZINC000151084917 395978636 /nfs/dbraw/zinc/97/86/36/395978636.db2.gz QLECRBJUHCALRH-LBPRGKRZSA-N 0 0 322.413 0.307 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cncc(F)c1 ZINC000063519368 395978606 /nfs/dbraw/zinc/97/86/06/395978606.db2.gz TWVOBAMSVMXUDT-IUCAKERBSA-N 0 0 301.343 0.495 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)NCc1ccnn1C ZINC000151312569 395983968 /nfs/dbraw/zinc/98/39/68/395983968.db2.gz CCUDTXWXMYDLSA-UHFFFAOYSA-N 0 0 305.342 0.606 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151440831 395986169 /nfs/dbraw/zinc/98/61/69/395986169.db2.gz OKAUPUTWZPRPNN-SWLSCSKDSA-N 0 0 307.398 0.950 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151440898 395986234 /nfs/dbraw/zinc/98/62/34/395986234.db2.gz OKAUPUTWZPRPNN-WFASDCNBSA-N 0 0 307.398 0.950 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151502885 395986858 /nfs/dbraw/zinc/98/68/58/395986858.db2.gz KILUKIXMPFGJIL-TZMCWYRMSA-N 0 0 303.424 0.965 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(Br)s2)C1 ZINC000276178163 395989619 /nfs/dbraw/zinc/98/96/19/395989619.db2.gz ABRHTLUDXLUZCF-SNVBAGLBSA-N 0 0 319.180 0.573 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000151685518 395990797 /nfs/dbraw/zinc/99/07/97/395990797.db2.gz HYKPDVYHBPOXJN-GFCCVEGCSA-N 0 0 304.350 0.789 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248807206 395997579 /nfs/dbraw/zinc/99/75/79/395997579.db2.gz HCFDGBKVTRLLNO-SGPHBRAGSA-N 0 0 324.421 0.896 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000151952844 395997586 /nfs/dbraw/zinc/99/75/86/395997586.db2.gz ZHNNCFWSXPTNTH-UONOGXRCSA-N 0 0 306.362 0.845 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000153350511 396023796 /nfs/dbraw/zinc/02/37/96/396023796.db2.gz UZKFPMFIGNWFGU-LBPRGKRZSA-N 0 0 311.357 0.969 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CC[C@]2(CCOC2)C1 ZINC000153414497 396023875 /nfs/dbraw/zinc/02/38/75/396023875.db2.gz YECNYRWUBXPQFM-INIZCTEOSA-N 0 0 301.346 0.969 10 0 DCAERN CCOc1nnc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000253381344 396026402 /nfs/dbraw/zinc/02/64/02/396026402.db2.gz DKNCBXOIWBIRLK-QWRGUYRKSA-N 0 0 300.428 0.824 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(=O)[nH]c1C ZINC000153839223 396026577 /nfs/dbraw/zinc/02/65/77/396026577.db2.gz IHGBRQRJGISVAG-RYUDHWBXSA-N 0 0 307.350 0.407 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1 ZINC000154073003 396030725 /nfs/dbraw/zinc/03/07/25/396030725.db2.gz RHMXNDCRVISFER-GFCCVEGCSA-N 0 0 316.365 0.122 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000154134114 396032442 /nfs/dbraw/zinc/03/24/42/396032442.db2.gz OBXYRAGKUWPALD-UONOGXRCSA-N 0 0 324.425 0.947 10 0 DCAERN CC1(C)CN(CC(=O)NCc2cccs2)CCS1(=O)=O ZINC000155154350 396047819 /nfs/dbraw/zinc/04/78/19/396047819.db2.gz GGWIUVWBDHEDMN-UHFFFAOYSA-N 0 0 316.448 0.873 10 0 DCAERN COC(=O)CCCCNC(=O)CNC(=O)c1cccc(OC)c1 ZINC000069170968 396072494 /nfs/dbraw/zinc/07/24/94/396072494.db2.gz YJSOQEIOHIUTHV-UHFFFAOYSA-N 0 0 322.361 0.885 10 0 DCAERN CCC[C@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000155402749 396051183 /nfs/dbraw/zinc/05/11/83/396051183.db2.gz IIQLUDXHRSKSGZ-RYUDHWBXSA-N 0 0 300.399 0.944 10 0 DCAERN COc1ccccc1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261644874 396051559 /nfs/dbraw/zinc/05/15/59/396051559.db2.gz JBYNFYUATZEMBE-UHFFFAOYSA-N 0 0 305.378 0.128 10 0 DCAERN COC(=O)CCc1nc(Cn2cnn(C(C)(C)C)c2=O)no1 ZINC000155857711 396058556 /nfs/dbraw/zinc/05/85/56/396058556.db2.gz KXOWRIIUEARRII-UHFFFAOYSA-N 0 0 309.326 0.337 10 0 DCAERN O=S1(=O)CC[C@@H](c2nc(I)no2)C1 ZINC000158621402 396064932 /nfs/dbraw/zinc/06/49/32/396064932.db2.gz NAPMKUZKNWANCZ-SCSAIBSYSA-N 0 0 314.104 0.576 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000158560607 396065013 /nfs/dbraw/zinc/06/50/13/396065013.db2.gz NTSWCXNHDUVNLR-WCQYABFASA-N 0 0 318.377 0.960 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CSCC(N)=O ZINC000152233223 396003851 /nfs/dbraw/zinc/00/38/51/396003851.db2.gz RXYBBSYTDYANSV-SECBINFHSA-N 0 0 311.411 0.571 10 0 DCAERN CCc1ccc(C(=O)N2CCNC(=O)CC2)cc1S(C)(=O)=O ZINC000152295653 396005371 /nfs/dbraw/zinc/00/53/71/396005371.db2.gz BFBLVFXJUSGGEU-UHFFFAOYSA-N 0 0 324.402 0.615 10 0 DCAERN O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)N1CCOCC1 ZINC000152413192 396009138 /nfs/dbraw/zinc/00/91/38/396009138.db2.gz MJNALVHYAZBYMI-ZDUSSCGKSA-N 0 0 319.409 0.651 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(C)C(=O)C1 ZINC000152792630 396016032 /nfs/dbraw/zinc/01/60/32/396016032.db2.gz HXZYPFOTHFCHDM-NSHDSACASA-N 0 0 304.350 0.497 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC2(C1)OCCO2 ZINC000152803884 396016213 /nfs/dbraw/zinc/01/62/13/396016213.db2.gz JZBXUPXFOOWFNR-LBPRGKRZSA-N 0 0 321.381 0.970 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000276649804 396017986 /nfs/dbraw/zinc/01/79/86/396017986.db2.gz YCEXTPKBGCBDKB-FRRDWIJNSA-N 0 0 319.409 0.704 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCC1(C)COC1)CC2 ZINC000163252756 396087001 /nfs/dbraw/zinc/08/70/01/396087001.db2.gz HYLBMMTXCTYLGO-CHWSQXEVSA-N 0 0 312.410 0.984 10 0 DCAERN O=C1CC[C@H](CNc2ncc(I)cn2)N1 ZINC000165195414 396087876 /nfs/dbraw/zinc/08/78/76/396087876.db2.gz FCUAINCSINJHCU-SSDOTTSWSA-N 0 0 318.118 0.772 10 0 DCAERN C[C@H](c1nc(I)no1)S(C)(=O)=O ZINC000167890836 396089429 /nfs/dbraw/zinc/08/94/29/396089429.db2.gz FRZGNDZGILKSNZ-GSVOUGTGSA-N 0 0 302.093 0.780 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1(CO)CC1 ZINC000167189222 396089592 /nfs/dbraw/zinc/08/95/92/396089592.db2.gz ZXBFAAJHMPLRQJ-UHFFFAOYSA-N 0 0 317.363 0.734 10 0 DCAERN COC(=O)CCNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000070303049 396101316 /nfs/dbraw/zinc/10/13/16/396101316.db2.gz VJKBKJKTONXYMI-UHFFFAOYSA-N 0 0 315.347 0.244 10 0 DCAERN O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CC[NH+]1CCCC1)c2=O ZINC000070460611 396101885 /nfs/dbraw/zinc/10/18/85/396101885.db2.gz GTJHTJYAQXBDPI-UHFFFAOYSA-N 0 0 303.318 0.484 10 0 DCAERN O=C(C[C@H]1C[NH2+]CCO1)NC1CCN(c2ccccn2)CC1 ZINC000262143684 396103541 /nfs/dbraw/zinc/10/35/41/396103541.db2.gz MPVNVPUGJHZTAL-AWEZNQCLSA-N 0 0 304.394 0.545 10 0 DCAERN NC(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)s1 ZINC000171208329 396111368 /nfs/dbraw/zinc/11/13/68/396111368.db2.gz YUFOCFWSKDVSEP-JTQLQIEISA-N 0 0 315.354 0.904 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)NCc1cccnc1-n1ccnc1 ZINC000171417552 396117175 /nfs/dbraw/zinc/11/71/75/396117175.db2.gz VMOXOFQDIJPATL-CYBMUJFWSA-N 0 0 322.390 0.866 10 0 DCAERN Cn1c2ccc(S(=O)(=O)N[C@H]3CCCOC3)cc2oc1=O ZINC000171541107 396117752 /nfs/dbraw/zinc/11/77/52/396117752.db2.gz OUIYUYABCOMGCY-VIFPVBQESA-N 0 0 312.347 0.589 10 0 DCAERN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171580806 396119443 /nfs/dbraw/zinc/11/94/43/396119443.db2.gz ZOKKIJVTMPMBSH-LLVKDONJSA-N 0 0 309.370 0.966 10 0 DCAERN O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000171664663 396121187 /nfs/dbraw/zinc/12/11/87/396121187.db2.gz SOSSPHQCSBYFIX-AWEZNQCLSA-N 0 0 324.348 0.731 10 0 DCAERN COC(=O)CN(CCN1CCOCC1)C(=O)Cc1ccccc1 ZINC000171829672 396125863 /nfs/dbraw/zinc/12/58/63/396125863.db2.gz ZXGWUHAYIUJFKE-UHFFFAOYSA-N 0 0 320.389 0.563 10 0 DCAERN O=C(NCCCOCC(F)(F)F)N[C@@H]1CCc2ncnn2C1 ZINC000171867691 396126659 /nfs/dbraw/zinc/12/66/59/396126659.db2.gz QVSNHMUOZQCQIC-SECBINFHSA-N 0 0 321.303 0.861 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC(OCC(C)C)CC1 ZINC000171981195 396127634 /nfs/dbraw/zinc/12/76/34/396127634.db2.gz CFBNTKSFOYJATM-UHFFFAOYSA-N 0 0 308.444 0.946 10 0 DCAERN COc1cccc(CS(=O)(=O)NCCNC(=O)C(C)C)c1 ZINC000172196985 396129676 /nfs/dbraw/zinc/12/96/76/396129676.db2.gz HLDRWWLOZMFZMV-UHFFFAOYSA-N 0 0 314.407 0.887 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cc(OC)ccn3)CCO2)[nH]1 ZINC000173556598 396135387 /nfs/dbraw/zinc/13/53/87/396135387.db2.gz MTRXYPRNWLNYCU-GFCCVEGCSA-N 0 0 317.349 0.984 10 0 DCAERN Cc1ccc(N2CCCN(C(=O)c3ccc[nH]c3=O)CC2)nn1 ZINC000069510557 396081425 /nfs/dbraw/zinc/08/14/25/396081425.db2.gz FMCSRYHXUSRBHD-UHFFFAOYSA-N 0 0 313.361 0.826 10 0 DCAERN Cn1cc(CN2CCN(C(=O)[C@H]3CC(F)(F)CN3)CC2)cn1 ZINC000263216374 396206808 /nfs/dbraw/zinc/20/68/08/396206808.db2.gz KZHDPILTDMNOOL-GFCCVEGCSA-N 0 0 313.352 0.062 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263269577 396210286 /nfs/dbraw/zinc/21/02/86/396210286.db2.gz RYYWIROVROVAGV-NEPJUHHUSA-N 0 0 317.380 0.994 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263269581 396210470 /nfs/dbraw/zinc/21/04/70/396210470.db2.gz RYYWIROVROVAGV-VXGBXAGGSA-N 0 0 317.380 0.994 10 0 DCAERN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000262623227 396163606 /nfs/dbraw/zinc/16/36/06/396163606.db2.gz QGCCXTZGXUHGKJ-BFHYXJOUSA-N 0 0 311.426 0.518 10 0 DCAERN Cc1ccc(Cn2nccc2NC(=O)C(=O)NCC[C@@H](C)O)o1 ZINC000178843079 396210646 /nfs/dbraw/zinc/21/06/46/396210646.db2.gz IYVNCUJISZMDQU-SNVBAGLBSA-N 0 0 320.349 0.658 10 0 DCAERN Cc1nonc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000074543998 396168868 /nfs/dbraw/zinc/16/88/68/396168868.db2.gz YZBRISACKCDJSN-JQWIXIFHSA-N 0 0 301.306 0.931 10 0 DCAERN CCc1n[nH]c(C(=O)N2CCO[C@H](CO)C2)c1Br ZINC000279366744 396169213 /nfs/dbraw/zinc/16/92/13/396169213.db2.gz FDVFYYSECROMTN-ZETCQYMHSA-N 0 0 318.171 0.568 10 0 DCAERN C[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)CCS1(=O)=O ZINC000177207329 396169279 /nfs/dbraw/zinc/16/92/79/396169279.db2.gz QZEBIDYOSRXLDF-GFCCVEGCSA-N 0 0 306.391 0.886 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccncc2)C[C@@H]1N1CCOCC1 ZINC000177298192 396170853 /nfs/dbraw/zinc/17/08/53/396170853.db2.gz IHDWKKLZXYOBFL-HIFRSBDPSA-N 0 0 304.394 0.944 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000262728995 396176577 /nfs/dbraw/zinc/17/65/77/396176577.db2.gz BGPXWEUFQVKBDE-WDEREUQCSA-N 0 0 303.353 0.748 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@H]2CCCn3ncnc32)nc1 ZINC000177576464 396179217 /nfs/dbraw/zinc/17/92/17/396179217.db2.gz GONJAUCICGJBQR-JTQLQIEISA-N 0 0 301.306 0.725 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCC[C@H]1C(=O)NC1CC1 ZINC000177953367 396186640 /nfs/dbraw/zinc/18/66/40/396186640.db2.gz MHVVSWAXNNFTLV-ZDUSSCGKSA-N 0 0 316.361 0.081 10 0 DCAERN COc1ccc(F)cc1CN1CCN([C@@H]2CCNC2=O)CC1 ZINC000178182611 396190957 /nfs/dbraw/zinc/19/09/57/396190957.db2.gz ZNLUBNTZZTVDCM-CQSZACIVSA-N 0 0 307.369 0.840 10 0 DCAERN Cc1cc(N2CCN([C@@H]3CCNC3=O)CC2)nc(C(C)C)n1 ZINC000178187946 396191040 /nfs/dbraw/zinc/19/10/40/396191040.db2.gz NHDLPIQSWBSWDJ-CYBMUJFWSA-N 0 0 303.410 0.919 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)[C@H]2CC(F)(F)CN2)cc1 ZINC000263008254 396197786 /nfs/dbraw/zinc/19/77/86/396197786.db2.gz PLNCUZDYBKKQMR-GFCCVEGCSA-N 0 0 311.332 0.838 10 0 DCAERN CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000263045728 396199078 /nfs/dbraw/zinc/19/90/78/396199078.db2.gz TYXFVVAUQGRNFK-NSHDSACASA-N 0 0 318.345 0.704 10 0 DCAERN Cc1ccc(O)c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c1 ZINC000076361276 396202018 /nfs/dbraw/zinc/20/20/18/396202018.db2.gz ZKIYVRIOXMFRRM-UHFFFAOYSA-N 0 0 319.405 0.937 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)NCc1ccc(CO)c(F)c1 ZINC000178706904 396204557 /nfs/dbraw/zinc/20/45/57/396204557.db2.gz RGNIFLUFTFITFC-UHFFFAOYSA-N 0 0 311.357 0.889 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)NCC(=O)C1CC1 ZINC000180812514 396234611 /nfs/dbraw/zinc/23/46/11/396234611.db2.gz MBASKXZISBZRQG-UHFFFAOYSA-N 0 0 315.417 0.900 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000181038948 396236416 /nfs/dbraw/zinc/23/64/16/396236416.db2.gz MLNIOKUCKJXBJC-INIZCTEOSA-N 0 0 323.393 0.627 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)Cn1cnc2ccccc2c1=O ZINC000181686427 396241630 /nfs/dbraw/zinc/24/16/30/396241630.db2.gz WBHLZUFORYKISA-LADRHHBVSA-N 0 0 307.375 0.280 10 0 DCAERN Cn1cc(N2CCC[C@H](Nc3ccnc(C(N)=O)c3)C2)cn1 ZINC000184037284 396281594 /nfs/dbraw/zinc/28/15/94/396281594.db2.gz GXMUJSCOMCYCJC-LBPRGKRZSA-N 0 0 300.366 0.995 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000078568792 396248265 /nfs/dbraw/zinc/24/82/65/396248265.db2.gz GJVUYUJDEPRZEQ-AWEZNQCLSA-N 0 0 324.406 0.096 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCc2ccccc2[C@H]1CO ZINC000182464395 396250931 /nfs/dbraw/zinc/25/09/31/396250931.db2.gz DZQNQMVNLOGRHY-OAHLLOKOSA-N 0 0 315.377 0.970 10 0 DCAERN CN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182536455 396251689 /nfs/dbraw/zinc/25/16/89/396251689.db2.gz QBQQMOWAGOZQGD-ZDUSSCGKSA-N 0 0 320.393 0.989 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)NCCCn2ccnn2)C1 ZINC000182733007 396253421 /nfs/dbraw/zinc/25/34/21/396253421.db2.gz KQCUVUYIOQTXTN-CYBMUJFWSA-N 0 0 307.398 0.823 10 0 DCAERN CN(C)c1ncccc1CNC(=O)Nc1nccn(C)c1=O ZINC000182727787 396253623 /nfs/dbraw/zinc/25/36/23/396253623.db2.gz RLPVPKGAYZTGCV-UHFFFAOYSA-N 0 0 302.338 0.563 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCCn1ccnn1 ZINC000182770347 396254084 /nfs/dbraw/zinc/25/40/84/396254084.db2.gz RTDNVMLIDDQKBR-NSHDSACASA-N 0 0 319.413 0.949 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)C[C@H](C)O1 ZINC000078884565 396256115 /nfs/dbraw/zinc/25/61/15/396256115.db2.gz IVIHLSBPMDIFRE-DTORHVGOSA-N 0 0 320.333 0.509 10 0 DCAERN Cn1cnc(-c2ccc(C(=O)NCCCn3ccnn3)cc2)n1 ZINC000182929376 396256557 /nfs/dbraw/zinc/25/65/57/396256557.db2.gz PTZZLFPCGWCDGO-UHFFFAOYSA-N 0 0 311.349 0.894 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)NCCCn1ccnn1 ZINC000183022709 396259203 /nfs/dbraw/zinc/25/92/03/396259203.db2.gz ZMYLZXAOBAKDEA-UHFFFAOYSA-N 0 0 316.365 0.390 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1=O ZINC000183109868 396261481 /nfs/dbraw/zinc/26/14/81/396261481.db2.gz JHJSTQBDWPEPHC-CYBMUJFWSA-N 0 0 318.377 0.021 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)CC(=O)N1C ZINC000282083907 396261912 /nfs/dbraw/zinc/26/19/12/396261912.db2.gz IAHYGFWYHZWIGZ-NSHDSACASA-N 0 0 305.382 0.592 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1cnc2c(cnn2C)c1OC ZINC000183175622 396263889 /nfs/dbraw/zinc/26/38/89/396263889.db2.gz OQVDOPOHLYLNMQ-UHFFFAOYSA-N 0 0 319.365 0.479 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1nc(C)oc1-c1ccccc1 ZINC000183294635 396266666 /nfs/dbraw/zinc/26/66/66/396266666.db2.gz ALESIUDXQZPJBA-NSHDSACASA-N 0 0 304.302 0.914 10 0 DCAERN OC[C@H]1CCCN1c1cc(NC[C@H](O)C(F)(F)F)ncn1 ZINC000264316698 396270610 /nfs/dbraw/zinc/27/06/10/396270610.db2.gz INGARSLVHIGJHS-BDAKNGLRSA-N 0 0 306.288 0.773 10 0 DCAERN O=C(c1cn(Cc2ccccn2)nn1)N1CCN(C2CC2)CC1 ZINC000079779156 396270672 /nfs/dbraw/zinc/27/06/72/396270672.db2.gz KMHBFACJAIJZDS-UHFFFAOYSA-N 0 0 312.377 0.642 10 0 DCAERN Cc1c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)sc2nccn12 ZINC000282213420 396272319 /nfs/dbraw/zinc/27/23/19/396272319.db2.gz TXYOMPROSCAAMQ-SECBINFHSA-N 0 0 313.404 0.963 10 0 DCAERN COc1cc(N2CCN(C(=O)c3ncoc3C)CC2)ncn1 ZINC000183848777 396276472 /nfs/dbraw/zinc/27/64/72/396276472.db2.gz DLCRVEDEEXQXJP-UHFFFAOYSA-N 0 0 303.322 0.744 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000183905484 396277432 /nfs/dbraw/zinc/27/74/32/396277432.db2.gz WFIQXRSMQZWYFB-CQSZACIVSA-N 0 0 317.455 0.416 10 0 DCAERN O=C(CNC(=O)[C@H]1CC(F)(F)CN1)N1CCc2ccccc2C1 ZINC000263308739 396213051 /nfs/dbraw/zinc/21/30/51/396213051.db2.gz YGHMHABZVRJVHB-CYBMUJFWSA-N 0 0 323.343 0.685 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)[C@H]2CC(F)(F)CN2)CCCC1 ZINC000263317953 396213622 /nfs/dbraw/zinc/21/36/22/396213622.db2.gz ZTQDJTVBHCUMGM-SNVBAGLBSA-N 0 0 303.353 0.748 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000077195938 396214896 /nfs/dbraw/zinc/21/48/96/396214896.db2.gz MJAXQESDNFHMLG-GFCCVEGCSA-N 0 0 318.377 0.167 10 0 DCAERN C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000179309023 396225666 /nfs/dbraw/zinc/22/56/66/396225666.db2.gz UUDDWXZUUDLWCD-ZYHUDNBSSA-N 0 0 312.391 0.607 10 0 DCAERN C[C@@H]1CC(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C[C@@H](C)O1 ZINC000179349841 396226037 /nfs/dbraw/zinc/22/60/37/396226037.db2.gz RRPPFDRITQAUHA-GMTAPVOTSA-N 0 0 304.412 0.771 10 0 DCAERN CC(C)c1noc(CCCNC(=O)NC[C@]2(O)CCOC2)n1 ZINC000179567886 396228460 /nfs/dbraw/zinc/22/84/60/396228460.db2.gz CZGYOMDHVFPEID-CQSZACIVSA-N 0 0 312.370 0.576 10 0 DCAERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2F)CCS1(=O)=O ZINC000280959670 396232435 /nfs/dbraw/zinc/23/24/35/396232435.db2.gz JNPOFPZAKJYXMM-ZETCQYMHSA-N 0 0 305.302 0.930 10 0 DCAERN CC[C@H](NCC(=O)N1CCN(C(C)=O)CC1)c1nccs1 ZINC000185062280 396316094 /nfs/dbraw/zinc/31/60/94/396316094.db2.gz DBKVRPZJRONPRI-LBPRGKRZSA-N 0 0 310.423 0.875 10 0 DCAERN CC(C)Oc1nccnc1N(C)C[C@@H](O)CN1CCOCC1 ZINC000184132867 396285962 /nfs/dbraw/zinc/28/59/62/396285962.db2.gz QGIJQCSBKPJMRP-CYBMUJFWSA-N 0 0 310.398 0.393 10 0 DCAERN CC(=O)[C@H]1CC(C(=O)N2CC(CO)C2)=NN1c1ccccc1 ZINC000184211307 396287757 /nfs/dbraw/zinc/28/77/57/396287757.db2.gz WUUJFZWQIFCBFI-OAHLLOKOSA-N 0 0 301.346 0.661 10 0 DCAERN O=C(CN1CCO[C@]2(CCOC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185151037 396319624 /nfs/dbraw/zinc/31/96/24/396319624.db2.gz NMTTWBPGQHJHTJ-ZMSDIMECSA-N 0 0 324.421 0.648 10 0 DCAERN CNC(=O)CC(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000184355806 396292512 /nfs/dbraw/zinc/29/25/12/396292512.db2.gz NQBORNOQQJBVNQ-UHFFFAOYSA-N 0 0 305.256 0.732 10 0 DCAERN CC1(Cn2cc(C(=O)N3CCN(C4CC4)CC3)nn2)COC1 ZINC000184485275 396296636 /nfs/dbraw/zinc/29/66/36/396296636.db2.gz HIMOCCZTRBAAAA-UHFFFAOYSA-N 0 0 305.382 0.235 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCOCC2CC2)CC1 ZINC000184749085 396304680 /nfs/dbraw/zinc/30/46/80/396304680.db2.gz KHMJYNTZCXZNKW-HNNXBMFYSA-N 0 0 313.442 0.901 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(OC)nc2)CC1 ZINC000184770043 396305655 /nfs/dbraw/zinc/30/56/55/396305655.db2.gz RESIWNCUQXKGMW-AWEZNQCLSA-N 0 0 322.409 0.688 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N[C@@H]1CCOc2ccccc21 ZINC000185170354 396320609 /nfs/dbraw/zinc/32/06/09/396320609.db2.gz MLFONECKFOEENX-YRGRVCCFSA-N 0 0 306.362 0.054 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000185550162 396329786 /nfs/dbraw/zinc/32/97/86/396329786.db2.gz RJBAWJQROPWDIX-MRXNPFEDSA-N 0 0 304.346 0.951 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)N2CCc3c2cccc3F)C1 ZINC000185666258 396332340 /nfs/dbraw/zinc/33/23/40/396332340.db2.gz VYSWIUPTWAHDCM-NSHDSACASA-N 0 0 321.352 0.162 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000185734866 396333926 /nfs/dbraw/zinc/33/39/26/396333926.db2.gz ISSQSOVLOHFGEP-GRYCIOLGSA-N 0 0 316.423 0.040 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000185773535 396334771 /nfs/dbraw/zinc/33/47/71/396334771.db2.gz XGFBCPGLHQASDP-GXFFZTMASA-N 0 0 316.361 0.675 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186215576 396344954 /nfs/dbraw/zinc/34/49/54/396344954.db2.gz MQPGFWLYGZPJJH-NSHDSACASA-N 0 0 318.377 0.889 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000186232210 396345633 /nfs/dbraw/zinc/34/56/33/396345633.db2.gz DEKBULIYYOULNC-UHFFFAOYSA-N 0 0 324.406 0.585 10 0 DCAERN CN1CCN(C(=O)CN2CCN(c3cccs3)C(=O)C2)CC1 ZINC000186075672 396340831 /nfs/dbraw/zinc/34/08/31/396340831.db2.gz HQBIMBDBWBIJJG-UHFFFAOYSA-N 0 0 322.434 0.171 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCCC[C@]2(C)C(N)=O)c1Cl ZINC000186615642 396353276 /nfs/dbraw/zinc/35/32/76/396353276.db2.gz KECPLHKNTBVXCB-LLVKDONJSA-N 0 0 320.802 0.492 10 0 DCAERN Cc1noc(CCNS(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000186808350 396358178 /nfs/dbraw/zinc/35/81/78/396358178.db2.gz UPHIXSPANWVFCJ-UHFFFAOYSA-N 0 0 321.309 0.361 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CN(C)CC1(CO)CC1)c1ccccc1 ZINC000186801280 396358322 /nfs/dbraw/zinc/35/83/22/396358322.db2.gz HDVYIYAJWVOWGD-HNNXBMFYSA-N 0 0 319.405 0.294 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)c2cn(CC(N)=O)nn2)cs1 ZINC000187006921 396361992 /nfs/dbraw/zinc/36/19/92/396361992.db2.gz UAPRLULKOLKNEF-LLVKDONJSA-N 0 0 320.378 0.506 10 0 DCAERN CC(C)[C@@H]1C[C@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000187029121 396362315 /nfs/dbraw/zinc/36/23/15/396362315.db2.gz FUIGJVDEUPASCH-UONOGXRCSA-N 0 0 320.393 0.973 10 0 DCAERN C[C@@H](NC(=O)N1CC(NC(=O)C2CC2)C1)[C@H](C)N1CCOCC1 ZINC000187033815 396362542 /nfs/dbraw/zinc/36/25/42/396362542.db2.gz WPTIPYACJJTAPS-NEPJUHHUSA-N 0 0 324.425 0.016 10 0 DCAERN CNC(=O)CC(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000187350605 396368160 /nfs/dbraw/zinc/36/81/60/396368160.db2.gz SRXYGAMWTKYJJC-UHFFFAOYSA-N 0 0 304.325 0.806 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)CCc2ccccc2)C1 ZINC000187715717 396372664 /nfs/dbraw/zinc/37/26/64/396372664.db2.gz UVUCQYZGXKFHEG-UHFFFAOYSA-N 0 0 312.391 0.006 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285595073 396351299 /nfs/dbraw/zinc/35/12/99/396351299.db2.gz RBEPZVRHCZFZEJ-WNMQOVRZSA-N 0 0 320.345 0.054 10 0 DCAERN C[C@@]1(O)CCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000188347593 396381934 /nfs/dbraw/zinc/38/19/34/396381934.db2.gz YQIOBRLPADLXKM-OAHLLOKOSA-N 0 0 301.350 0.934 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000188467928 396382365 /nfs/dbraw/zinc/38/23/65/396382365.db2.gz CDDFGCVYUNFFKY-HZPDHXFCSA-N 0 0 319.405 0.611 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000188494421 396382943 /nfs/dbraw/zinc/38/29/43/396382943.db2.gz CXTJCBYMAFQHNM-SNVBAGLBSA-N 0 0 309.370 0.215 10 0 DCAERN O=C(NC1CN(C(=O)C(F)(F)C2(O)CCC2)C1)C1CCC1 ZINC000188551156 396382974 /nfs/dbraw/zinc/38/29/74/396382974.db2.gz TXYUBVLKNRYQPK-UHFFFAOYSA-N 0 0 302.321 0.664 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C2CN(C(C)=O)C2)C12CCOCC2 ZINC000188670083 396384424 /nfs/dbraw/zinc/38/44/24/396384424.db2.gz VBVKZAJKIBCIQL-UONOGXRCSA-N 0 0 310.394 0.555 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@H](CO)C2)NC1=O ZINC000269085141 396384474 /nfs/dbraw/zinc/38/44/74/396384474.db2.gz LZSNAIXIZNXTTE-ZJUUUORDSA-N 0 0 306.318 0.239 10 0 DCAERN COc1cccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188832321 396387329 /nfs/dbraw/zinc/38/73/29/396387329.db2.gz HEMVRXJJCYCCPJ-UHFFFAOYSA-N 0 0 318.377 0.900 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000188891378 396388360 /nfs/dbraw/zinc/38/83/60/396388360.db2.gz RVFDQOJROWORCM-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN c1nc(N2CCOCC2)cc(N2CCO[C@]3(CCCOC3)C2)n1 ZINC000286393688 396392590 /nfs/dbraw/zinc/39/25/90/396392590.db2.gz GVHIXGQWIKVPPZ-MRXNPFEDSA-N 0 0 320.393 0.699 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(CO)c(F)c3)C[C@H]21 ZINC000286405501 396393313 /nfs/dbraw/zinc/39/33/13/396393313.db2.gz OATLFUKHLJFDGS-CABCVRRESA-N 0 0 308.353 0.863 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NC(=O)Nc1ccccc1 ZINC000189305104 396393339 /nfs/dbraw/zinc/39/33/39/396393339.db2.gz YTZLVWMDQBRVFT-LLVKDONJSA-N 0 0 304.350 0.545 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189405656 396395097 /nfs/dbraw/zinc/39/50/97/396395097.db2.gz KRAHKHDIPZWOSJ-NSHDSACASA-N 0 0 318.373 0.683 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000189795976 396399344 /nfs/dbraw/zinc/39/93/44/396399344.db2.gz IIMKKSFLVVZYAN-NEPJUHHUSA-N 0 0 308.382 0.781 10 0 DCAERN Cc1cc(N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000189795125 396399426 /nfs/dbraw/zinc/39/94/26/396399426.db2.gz QDDIJKZZQLWVFR-UHFFFAOYSA-N 0 0 323.397 0.891 10 0 DCAERN Cc1cccc2c1OCC[C@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000190166632 396402937 /nfs/dbraw/zinc/40/29/37/396402937.db2.gz VITFPGQYNALKJB-GFCCVEGCSA-N 0 0 315.329 0.485 10 0 DCAERN Cn1nccc1NC(=O)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190147628 396402984 /nfs/dbraw/zinc/40/29/84/396402984.db2.gz POPSWNRBWMGCHF-NSHDSACASA-N 0 0 302.338 0.836 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190665357 396409683 /nfs/dbraw/zinc/40/96/83/396409683.db2.gz MHQCDBYWSJZGBN-LLVKDONJSA-N 0 0 321.381 0.359 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000190681946 396410126 /nfs/dbraw/zinc/41/01/26/396410126.db2.gz XWSNXCLXWYEXBH-LLVKDONJSA-N 0 0 318.377 0.428 10 0 DCAERN CO[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000190829321 396411567 /nfs/dbraw/zinc/41/15/67/396411567.db2.gz WXBMFADXTJXGCE-AAEUAGOBSA-N 0 0 306.366 0.911 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCNC(=O)[C@@H]1C ZINC000190993051 396413595 /nfs/dbraw/zinc/41/35/95/396413595.db2.gz MVSSGFZBEWZIGV-QMMMGPOBSA-N 0 0 320.802 0.281 10 0 DCAERN CCCN1CCCN(S(=O)(=O)CCCCOC)CC1=O ZINC000191021765 396413662 /nfs/dbraw/zinc/41/36/62/396413662.db2.gz LPPFPRWCCUKLDY-UHFFFAOYSA-N 0 0 306.428 0.687 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CC1=O ZINC000191045866 396414672 /nfs/dbraw/zinc/41/46/72/396414672.db2.gz YJLHEUVCLWOJSG-UHFFFAOYSA-N 0 0 315.373 0.805 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191045188 396414736 /nfs/dbraw/zinc/41/47/36/396414736.db2.gz VNMLOCZTUGKKOA-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN COCc1ccc(CNC(=O)CN2CCCN(C)C(=O)C2)cc1 ZINC000191093824 396415171 /nfs/dbraw/zinc/41/51/71/396415171.db2.gz OBKMPZBTLSQBLL-UHFFFAOYSA-N 0 0 319.405 0.613 10 0 DCAERN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCCN(C)C(=O)C1 ZINC000191114345 396416166 /nfs/dbraw/zinc/41/61/66/396416166.db2.gz YOJDMICQUAYAJQ-GFCCVEGCSA-N 0 0 307.369 0.995 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCc1cn2ccccc2n1 ZINC000191178335 396416549 /nfs/dbraw/zinc/41/65/49/396416549.db2.gz SDOUDNLBESKELX-GFCCVEGCSA-N 0 0 315.377 0.797 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191185653 396416813 /nfs/dbraw/zinc/41/68/13/396416813.db2.gz PANXAJNDHZGCDX-LLVKDONJSA-N 0 0 306.366 0.900 10 0 DCAERN COCCN1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1=O ZINC000191237320 396417497 /nfs/dbraw/zinc/41/74/97/396417497.db2.gz ZIHWRVQXVQMNRO-UHFFFAOYSA-N 0 0 306.366 0.608 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)CC1=O ZINC000191515643 396420739 /nfs/dbraw/zinc/42/07/39/396420739.db2.gz MVXUYQZKLAGFQK-UHFFFAOYSA-N 0 0 315.251 0.691 10 0 DCAERN CCN1CN(CC(=O)N(C)Cc2ccccc2OC)CC1=O ZINC000191530559 396421116 /nfs/dbraw/zinc/42/11/16/396421116.db2.gz WKXCHGAFCBSMAD-UHFFFAOYSA-N 0 0 305.378 0.775 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)[nH]1 ZINC000191551485 396421420 /nfs/dbraw/zinc/42/14/20/396421420.db2.gz NFTKHAKGHCIZAO-SECBINFHSA-N 0 0 309.395 0.898 10 0 DCAERN CN1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)CC1=O ZINC000191871557 396425912 /nfs/dbraw/zinc/42/59/12/396425912.db2.gz NGGJRYYICOGFGF-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CC(C)(C)[C@@H](O)CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000269779361 396445696 /nfs/dbraw/zinc/44/56/96/396445696.db2.gz OLOBUZZSMSOCDY-NSHDSACASA-N 0 0 300.380 0.471 10 0 DCAERN CCCC(=O)NCC(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000191999267 396427713 /nfs/dbraw/zinc/42/77/13/396427713.db2.gz JUARSYRIKGZMSQ-GFCCVEGCSA-N 0 0 310.423 0.953 10 0 DCAERN Cc1nnc([C@H]2CN([C@@H](C)c3nnnn3C3CC3)CCO2)[nH]1 ZINC000192045645 396429266 /nfs/dbraw/zinc/42/92/66/396429266.db2.gz DODONDIPZHXABD-GZMMTYOYSA-N 0 0 304.358 0.569 10 0 DCAERN O=C(c1cnc(Cl)cn1)N1CCN(c2cccnn2)CC1 ZINC000192728358 396436418 /nfs/dbraw/zinc/43/64/18/396436418.db2.gz PPDLJCUDIJTZJK-UHFFFAOYSA-N 0 0 304.741 0.882 10 0 DCAERN CCOc1ccnc(N2CCN(C[C@H](O)CSC)CC2)n1 ZINC000187881625 396375663 /nfs/dbraw/zinc/37/56/63/396375663.db2.gz KLKGNIRDXDBGGM-LBPRGKRZSA-N 0 0 312.439 0.721 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N1CCCN(C)C(=O)C1 ZINC000188183236 396379838 /nfs/dbraw/zinc/37/98/38/396379838.db2.gz MSOOMQZQOSLYGE-UHFFFAOYSA-N 0 0 307.398 0.913 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000372303369 396504697 /nfs/dbraw/zinc/50/46/97/396504697.db2.gz UVWMXJOYCYYSQK-VWYCJHECSA-N 0 0 311.382 0.373 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)N1CCOCC(F)(F)C1 ZINC000288422906 396446825 /nfs/dbraw/zinc/44/68/25/396446825.db2.gz BCVVOCZSZOTITG-UHFFFAOYSA-N 0 0 323.299 0.891 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000193277125 396447979 /nfs/dbraw/zinc/44/79/79/396447979.db2.gz HYAHZAWLXZFWFG-NSHDSACASA-N 0 0 324.356 0.338 10 0 DCAERN COc1ccnc(N(C)S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000193315278 396448700 /nfs/dbraw/zinc/44/87/00/396448700.db2.gz SZRYUMCTYRCCRA-UHFFFAOYSA-N 0 0 317.758 0.697 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000193489179 396452519 /nfs/dbraw/zinc/45/25/19/396452519.db2.gz FOHASURJBZHZJW-GFCCVEGCSA-N 0 0 324.356 0.074 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@H]1Cn1ccnc1 ZINC000290478918 396466595 /nfs/dbraw/zinc/46/65/95/396466595.db2.gz VGKDDIZQHSOMAM-LJISPDSOSA-N 0 0 305.378 0.926 10 0 DCAERN COc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1OC ZINC000371560424 396470766 /nfs/dbraw/zinc/47/07/66/396470766.db2.gz DOONTLVKPMAYMA-UHFFFAOYSA-N 0 0 302.334 0.921 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)N1CCN2CCOC[C@H]2C1 ZINC000371790805 396476966 /nfs/dbraw/zinc/47/69/66/396476966.db2.gz ZQRUIVDATIAWRS-CYBMUJFWSA-N 0 0 304.346 0.501 10 0 DCAERN O=C(Cc1ccccc1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000371839333 396478555 /nfs/dbraw/zinc/47/85/55/396478555.db2.gz SJBBFXHCLJOFSM-LRDDRELGSA-N 0 0 301.346 0.724 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCN3CCOC[C@H]3C2)CCCC1 ZINC000371871057 396479452 /nfs/dbraw/zinc/47/94/52/396479452.db2.gz WWHKHGWSJCWRQK-CYBMUJFWSA-N 0 0 324.425 0.161 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N(C)[C@@H]1CCSC1 ZINC000516504548 396515236 /nfs/dbraw/zinc/51/52/36/396515236.db2.gz FFXHHPDWPCLAOX-GHMZBOCLSA-N 0 0 323.422 0.502 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC/C=C/CO ZINC000594820184 396521669 /nfs/dbraw/zinc/52/16/69/396521669.db2.gz UCOVCMOIOAZHAZ-SNAWJCMRSA-N 0 0 303.336 0.510 10 0 DCAERN O=C(C(=O)N1C[C@@H]2COC[C@H](C1)O2)N1CCc2c1cccc2F ZINC000519647944 396522694 /nfs/dbraw/zinc/52/26/94/396522694.db2.gz JRUFOUZESMWJPS-PHIMTYICSA-N 0 0 320.320 0.341 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CC(F)(F)C[C@@H]3CO)nc2n1 ZINC000372509890 396523001 /nfs/dbraw/zinc/52/30/01/396523001.db2.gz YXCNKWHMSDDZCO-SECBINFHSA-N 0 0 311.292 0.583 10 0 DCAERN O=C(c1cn(Cc2cccs2)nn1)N1C[C@@H](F)C[C@@H]1CO ZINC000372554049 396526647 /nfs/dbraw/zinc/52/66/47/396526647.db2.gz CIUGJPUMJZGANL-VHSXEESVSA-N 0 0 310.354 0.933 10 0 DCAERN CNC(=O)c1ccc(NC(=O)C(=O)N2CCOCC[C@H]2C)cc1 ZINC000372670020 396535912 /nfs/dbraw/zinc/53/59/12/396535912.db2.gz DGBPKZDITJZCPS-LLVKDONJSA-N 0 0 319.361 0.622 10 0 DCAERN COC[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000372762973 396544471 /nfs/dbraw/zinc/54/44/71/396544471.db2.gz GUOLNTQMMVZVCA-KOLCDFICSA-N 0 0 322.365 0.908 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(Cc2cccc(Br)n2)C1 ZINC000292667393 396562037 /nfs/dbraw/zinc/56/20/37/396562037.db2.gz CCPUXNPNWKNARB-GFCCVEGCSA-N 0 0 314.183 0.656 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)[C@H](C)C1 ZINC000581539979 396563115 /nfs/dbraw/zinc/56/31/15/396563115.db2.gz FWQNRTHCLWAYFH-GRYCIOLGSA-N 0 0 321.443 0.475 10 0 DCAERN O=C(Nc1ccc(Cl)cn1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000373142291 396569900 /nfs/dbraw/zinc/56/99/00/396569900.db2.gz AOZQYRMRJZWZBD-LLVKDONJSA-N 0 0 324.768 0.217 10 0 DCAERN c1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc(N2CCOCC2)n1 ZINC000373382647 396587475 /nfs/dbraw/zinc/58/74/75/396587475.db2.gz JIHVEZUNRHLPNJ-KBPBESRZSA-N 0 0 320.393 0.697 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000530670801 396580774 /nfs/dbraw/zinc/58/07/74/396580774.db2.gz IVKMCHCKCCNDCK-MRVPVSSYSA-N 0 0 304.272 0.480 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2C[C@H](CO)c3ccccc32)C1 ZINC000293932455 396642591 /nfs/dbraw/zinc/64/25/91/396642591.db2.gz OGVCUTSZZFKQLF-DYVFJYSZSA-N 0 0 318.373 0.483 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000374211146 396647042 /nfs/dbraw/zinc/64/70/42/396647042.db2.gz JBUIDPVKWGKFPW-MRVWCRGKSA-N 0 0 322.409 0.260 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1cnn2ccccc12 ZINC000561893881 396649067 /nfs/dbraw/zinc/64/90/67/396649067.db2.gz HMBMDXIFYIWDFE-UHFFFAOYSA-N 0 0 300.326 0.199 10 0 DCAERN O=C(CCc1ccco1)NCCCN1CCCS1(=O)=O ZINC000585736465 396651972 /nfs/dbraw/zinc/65/19/72/396651972.db2.gz YUIKSYAZYYQGCF-UHFFFAOYSA-N 0 0 300.380 0.754 10 0 DCAERN C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CCN1CC(F)(F)F ZINC000374273690 396652657 /nfs/dbraw/zinc/65/26/57/396652657.db2.gz NPJGQSFPROXRDZ-GXFFZTMASA-N 0 0 321.343 0.998 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@]2(C)CO)[nH]n1 ZINC000562272512 396654818 /nfs/dbraw/zinc/65/48/18/396654818.db2.gz ZSBIFGMJRSVMOU-ZUZCIYMTSA-N 0 0 308.382 0.139 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000373492234 396593924 /nfs/dbraw/zinc/59/39/24/396593924.db2.gz CERBFBSJJDWZTC-GXTWGEPZSA-N 0 0 310.394 0.651 10 0 DCAERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[C@@H]1CCC(=O)N1 ZINC000536950394 396609760 /nfs/dbraw/zinc/60/97/60/396609760.db2.gz OQPFSZHPHSMEDV-NWDGAFQWSA-N 0 0 311.407 0.681 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000374367718 396657939 /nfs/dbraw/zinc/65/79/39/396657939.db2.gz RWOUXVPMVHXUEM-NWDGAFQWSA-N 0 0 308.407 0.657 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374116958 396640207 /nfs/dbraw/zinc/64/02/07/396640207.db2.gz BIVLPCFBJDQQOL-JTLRNRKASA-N 0 0 311.407 0.033 10 0 DCAERN CC1(C(=O)NCCCN2CCCS2(=O)=O)CCOCC1 ZINC000588647950 396687350 /nfs/dbraw/zinc/68/73/50/396687350.db2.gz OHZUTIMGBJGTMH-UHFFFAOYSA-N 0 0 304.412 0.345 10 0 DCAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CC(n2ccnn2)C1 ZINC000374811846 396689250 /nfs/dbraw/zinc/68/92/50/396689250.db2.gz ZBZIDTDTSPEZHI-UHFFFAOYSA-N 0 0 319.752 0.745 10 0 DCAERN C[C@H](NC(=O)c1cccs1)C(=O)N1CC(n2ccnn2)C1 ZINC000374821200 396690405 /nfs/dbraw/zinc/69/04/05/396690405.db2.gz RLTSTLYTAABLGE-VIFPVBQESA-N 0 0 305.363 0.541 10 0 DCAERN Cn1nc(C(=O)N2CCOc3cccc(F)c3C2)ccc1=O ZINC000374978217 396701894 /nfs/dbraw/zinc/70/18/94/396701894.db2.gz LGTDDJDOTKWWPX-UHFFFAOYSA-N 0 0 303.293 0.954 10 0 DCAERN C[C@H]1CCOCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000375000011 396703713 /nfs/dbraw/zinc/70/37/13/396703713.db2.gz UMZQZLJQLYLCPH-LBPRGKRZSA-N 0 0 301.350 0.978 10 0 DCAERN CC(C)[C@@H]1NC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000375049509 396707404 /nfs/dbraw/zinc/70/74/04/396707404.db2.gz NIPXBMWJHLXHNP-NEPJUHHUSA-N 0 0 309.366 0.343 10 0 DCAERN Cc1nc(CN2CCN(c3ccncc3C(N)=O)CC2)no1 ZINC000302222222 396718150 /nfs/dbraw/zinc/71/81/50/396718150.db2.gz MRWLSESNQAKHJN-UHFFFAOYSA-N 0 0 302.338 0.194 10 0 DCAERN Cn1nncc1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000375611324 396781299 /nfs/dbraw/zinc/78/12/99/396781299.db2.gz FVRHYENEVWEOMM-SECBINFHSA-N 0 0 306.757 0.872 10 0 DCAERN C=Cc1ccc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1 ZINC000629569760 396791940 /nfs/dbraw/zinc/79/19/40/396791940.db2.gz FHLJSFCEUITHIG-CQSZACIVSA-N 0 0 324.402 0.720 10 0 DCAERN C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000375673369 396794031 /nfs/dbraw/zinc/79/40/31/396794031.db2.gz GAPAWBHVVUBRBW-MLGOLLRUSA-N 0 0 312.410 0.953 10 0 DCAERN COC[C@H](C)OC[C@H](O)CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375353901 396731528 /nfs/dbraw/zinc/73/15/28/396731528.db2.gz MKHBERXFFKSPTM-SWLSCSKDSA-N 0 0 313.369 0.741 10 0 DCAERN O=C(CC[C@H]1CCCCO1)NCCCN1CCCS1(=O)=O ZINC000600082699 396732020 /nfs/dbraw/zinc/73/20/20/396732020.db2.gz XHRJNWIBXHZDFF-CYBMUJFWSA-N 0 0 318.439 0.878 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000375419449 396741564 /nfs/dbraw/zinc/74/15/64/396741564.db2.gz HJVQYJQMEWGLTE-GBJTYRQASA-N 0 0 312.410 0.238 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)C(=O)Cc1cnn2ccccc12 ZINC000633919427 396745100 /nfs/dbraw/zinc/74/51/00/396745100.db2.gz ZDQRGPFDUHLMMX-AWEZNQCLSA-N 0 0 302.378 0.666 10 0 DCAERN COC(=O)CNC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466089 396751959 /nfs/dbraw/zinc/75/19/59/396751959.db2.gz RXYKGMWRWZGOOO-SNVBAGLBSA-N 0 0 308.338 0.026 10 0 DCAERN CCn1cnnc1CCNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000600195218 396753762 /nfs/dbraw/zinc/75/37/62/396753762.db2.gz AMCSACBEUPJXKM-UHFFFAOYSA-N 0 0 318.381 0.791 10 0 DCAERN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CNC(=O)C1 ZINC000312037238 396763917 /nfs/dbraw/zinc/76/39/17/396763917.db2.gz PJWVQALNBHDTIC-HUUCEWRRSA-N 0 0 317.389 0.140 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCC([C@H]3CCCO3)CC2)C1=O ZINC000375532209 396767354 /nfs/dbraw/zinc/76/73/54/396767354.db2.gz PGAXWUHUKFDHDW-GFCCVEGCSA-N 0 0 323.393 0.734 10 0 DCAERN COC(=O)[C@@H](NC[C@H](O)COC[C@H]1CCCO1)C(C)(C)C ZINC000610989647 396798093 /nfs/dbraw/zinc/79/80/93/396798093.db2.gz RMUNLKGFZMEAEO-YNEHKIRRSA-N 0 0 303.399 0.720 10 0 DCAERN Cc1nc(C)n([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000375789220 396819539 /nfs/dbraw/zinc/81/95/39/396819539.db2.gz IXEOULVPWYQUSX-CQSZACIVSA-N 0 0 307.398 0.391 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cn1C ZINC000328626788 396823960 /nfs/dbraw/zinc/82/39/60/396823960.db2.gz MCVDUPRQSJZABU-NSHDSACASA-N 0 0 324.410 0.129 10 0 DCAERN CCOc1cc(N2CCC[C@H]2c2nc(C(N)=O)no2)ncn1 ZINC000328619356 396824690 /nfs/dbraw/zinc/82/46/90/396824690.db2.gz FTYOAPQULPXOLH-QMMMGPOBSA-N 0 0 304.310 0.699 10 0 DCAERN Cc1nc(S(=O)(=O)NC[C@@H]2CCn3ccnc3C2)cn1C ZINC000328630040 396827342 /nfs/dbraw/zinc/82/73/42/396827342.db2.gz PKHJKVGGJLQIHJ-LLVKDONJSA-N 0 0 309.395 0.466 10 0 DCAERN Cc1nccn1CCCN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328655418 396830726 /nfs/dbraw/zinc/83/07/26/396830726.db2.gz YJXQTCWMUKGUGS-LLVKDONJSA-N 0 0 304.354 0.901 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)[C@@H](C)N2CCN(C)CC2)[nH]1 ZINC000328705608 396831414 /nfs/dbraw/zinc/83/14/14/396831414.db2.gz YTQDTNBCYGLELK-TZMCWYRMSA-N 0 0 320.441 0.803 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)C2CC(O)C2)cn1 ZINC000330323460 396856429 /nfs/dbraw/zinc/85/64/29/396856429.db2.gz HRODGMDTRQGYQH-PFSRBDOWSA-N 0 0 323.393 0.589 10 0 DCAERN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[C@](O)(C(N)=O)C2)CCO1 ZINC000375752209 396812452 /nfs/dbraw/zinc/81/24/52/396812452.db2.gz AYDMOXATJSZJCS-HEHGZKQESA-N 0 0 312.410 0.667 10 0 DCAERN CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[C@@](O)(C(N)=O)C2)CCO1 ZINC000375752211 396812498 /nfs/dbraw/zinc/81/24/98/396812498.db2.gz AYDMOXATJSZJCS-XEZPLFJOSA-N 0 0 312.410 0.667 10 0 DCAERN COC[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C(=O)OC ZINC000611507946 396876400 /nfs/dbraw/zinc/87/64/00/396876400.db2.gz GLZARDKCJIWEIY-SNVBAGLBSA-N 0 0 315.757 0.475 10 0 DCAERN COC(=O)[C@H](NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614295 396895724 /nfs/dbraw/zinc/89/57/24/396895724.db2.gz GOBKWTZSLOMTHY-RWSFTLGLSA-N 0 0 309.366 0.248 10 0 DCAERN O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333155118 396920118 /nfs/dbraw/zinc/92/01/18/396920118.db2.gz LAYPPVNFSHRPHL-NOOOWODRSA-N 0 0 307.437 0.672 10 0 DCAERN CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333194301 396919671 /nfs/dbraw/zinc/91/96/71/396919671.db2.gz SYSCWJMRHGUKCU-OWTLIXCDSA-N 0 0 300.424 0.963 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCCC[C@H]2C)N(S(C)(=O)=O)C1 ZINC000333225078 396920080 /nfs/dbraw/zinc/92/00/80/396920080.db2.gz SPJBKULZLPNONQ-FRRDWIJNSA-N 0 0 318.439 0.826 10 0 DCAERN CN1C(=O)CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)C1=O ZINC000333284091 396920836 /nfs/dbraw/zinc/92/08/36/396920836.db2.gz MZWKYCWJPROZGD-USZNOCQGSA-N 0 0 319.361 0.729 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1C[C@H](O)CC1(O)CCOCC1 ZINC000630045724 396929283 /nfs/dbraw/zinc/92/92/83/396929283.db2.gz RKFUFPHFNODOOT-KGLIPLIRSA-N 0 0 314.426 0.222 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000625598872 396943879 /nfs/dbraw/zinc/94/38/79/396943879.db2.gz VIHGYWCUWSMZDD-UWVGGRQHSA-N 0 0 309.746 0.907 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 ZINC000611934710 396951176 /nfs/dbraw/zinc/95/11/76/396951176.db2.gz DAPLLTHTWOPDRM-UHFFFAOYSA-N 0 0 310.335 0.080 10 0 DCAERN Cn1cc(CNC(=O)CSCC(=O)N2CCCCC2)nn1 ZINC000611956543 396960446 /nfs/dbraw/zinc/96/04/46/396960446.db2.gz ZBXPHQCPQMXVRR-UHFFFAOYSA-N 0 0 311.411 0.177 10 0 DCAERN c1nnn(-c2ccccc2)c1CN1CCN(c2nccnn2)CC1 ZINC000625643869 396965385 /nfs/dbraw/zinc/96/53/85/396965385.db2.gz HFAAVWAPFBCDQJ-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN C[C@H](CC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000625729798 396988016 /nfs/dbraw/zinc/98/80/16/396988016.db2.gz ZKGYVAORKRMKEP-SFYZADRCSA-N 0 0 302.318 0.854 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000376936745 396998677 /nfs/dbraw/zinc/99/86/77/396998677.db2.gz FLDOQSGURVMBMR-KGLIPLIRSA-N 0 0 304.346 0.913 10 0 DCAERN O=C(Cn1cnc2cnccc2c1=O)N1CCOC[C@H]1C1CC1 ZINC000376967785 397004604 /nfs/dbraw/zinc/00/46/04/397004604.db2.gz NHQJLJAZEAUDRN-AWEZNQCLSA-N 0 0 314.345 0.429 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)[C@H]1CCC(=O)NC1 ZINC000571972617 397005574 /nfs/dbraw/zinc/00/55/74/397005574.db2.gz MGWYVCSSEUANBF-RYUDHWBXSA-N 0 0 304.346 0.859 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618676698 397010263 /nfs/dbraw/zinc/01/02/63/397010263.db2.gz XHOOAFGGDQGFEH-LLVKDONJSA-N 0 0 318.439 0.874 10 0 DCAERN Cc1ccc(O)c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618681649 397012847 /nfs/dbraw/zinc/01/28/47/397012847.db2.gz PVGGRHKLVQYFLF-LLVKDONJSA-N 0 0 312.391 0.807 10 0 DCAERN C[C@@H]1CN(C(=O)CCc2ccco2)CCN1S(C)(=O)=O ZINC000618681707 397013002 /nfs/dbraw/zinc/01/30/02/397013002.db2.gz SAOPFIMLDWKFIN-LLVKDONJSA-N 0 0 300.380 0.705 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1coc(C2CC2)n1 ZINC000618754188 397023118 /nfs/dbraw/zinc/02/31/18/397023118.db2.gz JTSSCLXFUGFJRR-DTWKUNHWSA-N 0 0 323.349 0.738 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 ZINC000625908743 397031514 /nfs/dbraw/zinc/03/15/14/397031514.db2.gz RWYUDVKRXBEZQO-MWLCHTKSSA-N 0 0 318.399 0.079 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000625912892 397032045 /nfs/dbraw/zinc/03/20/45/397032045.db2.gz MESZSZNKLWQVTQ-GHMZBOCLSA-N 0 0 311.426 0.910 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376745062 396971943 /nfs/dbraw/zinc/97/19/43/396971943.db2.gz CPXXQCLSJHCCAA-LBPRGKRZSA-N 0 0 312.414 0.004 10 0 DCAERN COC(=O)c1ccnc(NC(=O)NC2(CCO)CCOCC2)c1 ZINC000618389133 396975216 /nfs/dbraw/zinc/97/52/16/396975216.db2.gz XOMSGPGXCIVMJJ-UHFFFAOYSA-N 0 0 323.349 0.921 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCN(C)C(=O)C1)CC2 ZINC000377297696 397063108 /nfs/dbraw/zinc/06/31/08/397063108.db2.gz KVQCXQQZMSMAQP-LLVKDONJSA-N 0 0 304.394 0.939 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cccc2ncnn21 ZINC000612416788 397049128 /nfs/dbraw/zinc/04/91/28/397049128.db2.gz QGBIWYZHDUQZDX-GFCCVEGCSA-N 0 0 320.349 0.768 10 0 DCAERN CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000630575426 397050446 /nfs/dbraw/zinc/05/04/46/397050446.db2.gz ZHNCDNKGBQXCNR-ZIAGYGMSSA-N 0 0 307.394 0.767 10 0 DCAERN C[C@@H](C(=O)[O-])N(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000630574441 397050935 /nfs/dbraw/zinc/05/09/35/397050935.db2.gz PPCHGWIQZNFFIP-WFASDCNBSA-N 0 0 319.405 0.910 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC2)C1 ZINC000619377378 397122283 /nfs/dbraw/zinc/12/22/83/397122283.db2.gz ZIFCMJVHVQHQTF-SNVBAGLBSA-N 0 0 317.407 0.754 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)N1CCOCC[C@@H]1C ZINC000364056774 397179193 /nfs/dbraw/zinc/17/91/93/397179193.db2.gz METLTINZSSUOOH-NSHDSACASA-N 0 0 307.416 0.135 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(C(C)C)C1 ZINC000626254856 397121295 /nfs/dbraw/zinc/12/12/95/397121295.db2.gz AJQNMZBSBVORSB-UHFFFAOYSA-N 0 0 311.426 0.910 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCC(CC)(CC)C(=O)OC)C1=O ZINC000619800868 397194783 /nfs/dbraw/zinc/19/47/83/397194783.db2.gz GYXCSNHEEGURPR-LLVKDONJSA-N 0 0 313.398 0.886 10 0 DCAERN CCOC(=O)C1(CNC(=O)N[C@H]2CCN(CC)C2=O)CCC1 ZINC000619800251 397194847 /nfs/dbraw/zinc/19/48/47/397194847.db2.gz BQMFMLMKAJHWMJ-NSHDSACASA-N 0 0 311.382 0.640 10 0 DCAERN c1cn(C2CCN(c3ccnc(N4CCOCC4)n3)CC2)nn1 ZINC000364411553 397196956 /nfs/dbraw/zinc/19/69/56/397196956.db2.gz BAXUMQQIKWXFHL-UHFFFAOYSA-N 0 0 315.381 0.746 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619980732 397219345 /nfs/dbraw/zinc/21/93/45/397219345.db2.gz BBAYBJZCQQTESL-CJNGLKHVSA-N 0 0 324.425 0.459 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000619984913 397220129 /nfs/dbraw/zinc/22/01/29/397220129.db2.gz OAZOXZGDDYLXFH-KBPBESRZSA-N 0 0 324.425 0.602 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)C(C)C ZINC000619990412 397220912 /nfs/dbraw/zinc/22/09/12/397220912.db2.gz XIXCMRPVBKWOKV-STQMWFEESA-N 0 0 312.414 0.361 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](Nc2ncncc2Br)C1 ZINC000400155141 397315732 /nfs/dbraw/zinc/31/57/32/397315732.db2.gz DHEZYZCODJWEKD-SSDOTTSWSA-N 0 0 321.200 0.685 10 0 DCAERN CCOC(C)(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000383952046 397280008 /nfs/dbraw/zinc/28/00/08/397280008.db2.gz AWKZKXXDDLBVCO-UHFFFAOYSA-N 0 0 300.380 0.765 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C ZINC000384802106 397281335 /nfs/dbraw/zinc/28/13/35/397281335.db2.gz YHTGIIPKQHKBHU-YUMQZZPRSA-N 0 0 320.392 0.464 10 0 DCAERN CCS[C@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H](O)CN1C(C)=O ZINC000365474783 397286249 /nfs/dbraw/zinc/28/62/49/397286249.db2.gz WJRAFUJYKAGFBK-RVMXOQNASA-N 0 0 300.424 0.759 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000365519213 397290588 /nfs/dbraw/zinc/29/05/88/397290588.db2.gz WUESOJRIYOHNAK-MRXNPFEDSA-N 0 0 317.389 0.826 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)nc1C ZINC000396675106 397310330 /nfs/dbraw/zinc/31/03/30/397310330.db2.gz BNQWYPQZNHJOAJ-SNVBAGLBSA-N 0 0 300.384 0.158 10 0 DCAERN CCNS(=O)(=O)c1ccccc1N1C[C@@H](O)[C@H](OC)C1 ZINC000395995784 397310439 /nfs/dbraw/zinc/31/04/39/397310439.db2.gz HOQJWEDPCJGTGR-VXGBXAGGSA-N 0 0 300.380 0.181 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(F)cc2F)CCN1 ZINC000396696574 397310808 /nfs/dbraw/zinc/31/08/08/397310808.db2.gz GNQJZCMZGYHNMS-VIFPVBQESA-N 0 0 304.318 0.912 10 0 DCAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CC(n2ccnn2)C1 ZINC000378555167 397254953 /nfs/dbraw/zinc/25/49/53/397254953.db2.gz ZYHNNEXZSFZMNO-UHFFFAOYSA-N 0 0 315.308 0.999 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378545158 397255248 /nfs/dbraw/zinc/25/52/48/397255248.db2.gz DRPGTGLNOVJNAY-LBPRGKRZSA-N 0 0 305.382 0.700 10 0 DCAERN CCOC(=O)CN(C(=O)c1ccc(=O)n(CC)n1)C1CCC1 ZINC000613412059 397255668 /nfs/dbraw/zinc/25/56/68/397255668.db2.gz FXCSSGUFSKANRX-UHFFFAOYSA-N 0 0 307.350 0.821 10 0 DCAERN CCOc1nnc(CN2CCS(=O)(=O)C(C)(C)C2)s1 ZINC000407948089 397331863 /nfs/dbraw/zinc/33/18/63/397331863.db2.gz OFHFKXPDEFXISK-UHFFFAOYSA-N 0 0 305.425 0.946 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccoc2)CC1 ZINC000407951642 397334194 /nfs/dbraw/zinc/33/41/94/397334194.db2.gz CQAQMTQNOSFQME-ZDUSSCGKSA-N 0 0 321.377 0.285 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C1 ZINC000407952868 397335080 /nfs/dbraw/zinc/33/50/80/397335080.db2.gz JWDRXISDEBQHER-JSGCOSHPSA-N 0 0 309.410 0.664 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407960015 397337288 /nfs/dbraw/zinc/33/72/88/397337288.db2.gz UMSVEGYPPZYAHF-CQSZACIVSA-N 0 0 321.421 0.857 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407958648 397337297 /nfs/dbraw/zinc/33/72/97/397337297.db2.gz SEPHUDWCTHOJKQ-ZDUSSCGKSA-N 0 0 307.394 0.611 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)C1 ZINC000614108151 397384344 /nfs/dbraw/zinc/38/43/44/397384344.db2.gz UVVBUDUWTVNFEL-ZNMIVQPWSA-N 0 0 311.401 0.890 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407966754 397339608 /nfs/dbraw/zinc/33/96/08/397339608.db2.gz OPOCBRQFDRSTMG-NWDGAFQWSA-N 0 0 316.423 0.279 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407968012 397340643 /nfs/dbraw/zinc/34/06/43/397340643.db2.gz DYRCBKJCTPYZFN-JTQLQIEISA-N 0 0 307.398 0.452 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000407971999 397342695 /nfs/dbraw/zinc/34/26/95/397342695.db2.gz RPAPNBWUTIOASI-MELADBBJSA-N 0 0 323.437 0.960 10 0 DCAERN CC(=O)c1cn(CC(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)nn1 ZINC000621140123 397343018 /nfs/dbraw/zinc/34/30/18/397343018.db2.gz IYPFBSZKGDMCPE-OQPBUACISA-N 0 0 316.308 0.752 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N3CCOCC3)CCC(=O)N2C)cn1 ZINC000408175828 397348937 /nfs/dbraw/zinc/34/89/37/397348937.db2.gz ZKRJBPMAMHHZGJ-JSGCOSHPSA-N 0 0 306.366 0.188 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCCCCC1 ZINC000408418937 397355699 /nfs/dbraw/zinc/35/56/99/397355699.db2.gz FCTWQBWYDIVAEN-JTQLQIEISA-N 0 0 308.425 0.655 10 0 DCAERN CSc1c(C(=O)N2CC[S@](=O)C[C@@H](C)C2)cnn1C ZINC000408398813 397355844 /nfs/dbraw/zinc/35/58/44/397355844.db2.gz YAWMFZZLVKBVIK-UGZDLDLSSA-N 0 0 301.437 0.983 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000408452621 397357750 /nfs/dbraw/zinc/35/77/50/397357750.db2.gz NSIMWQQKTGBHDU-WDEREUQCSA-N 0 0 305.444 0.761 10 0 DCAERN CO[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1c1c[nH]nn1 ZINC000621317064 397374569 /nfs/dbraw/zinc/37/45/69/397374569.db2.gz MNQYGZRNTWLSGO-CMPLNLGQSA-N 0 0 305.386 0.766 10 0 DCAERN C[C@@H](C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)S(C)(=O)=O ZINC000366589989 397382459 /nfs/dbraw/zinc/38/24/59/397382459.db2.gz VQVWSKDAAOUUPV-GWCFXTLKSA-N 0 0 305.396 0.216 10 0 DCAERN CCCN(CC(C)C)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000459970555 397439323 /nfs/dbraw/zinc/43/93/23/397439323.db2.gz VYGHHZXIURWWQP-AWEZNQCLSA-N 0 0 311.426 0.424 10 0 DCAERN CC(=O)N1CCN(C(=O)CO[C@H](C)c2nccn2C)C(C)(C)C1 ZINC000578169908 397398594 /nfs/dbraw/zinc/39/85/94/397398594.db2.gz JIVYUTGZBRDIKU-GFCCVEGCSA-N 0 0 322.409 0.967 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC(CO)(c3ccccc3)C2)C1 ZINC000621578610 397400478 /nfs/dbraw/zinc/40/04/78/397400478.db2.gz YGNSHUQSGSBLDF-OAHLLOKOSA-N 0 0 317.389 0.563 10 0 DCAERN C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000428189564 397408822 /nfs/dbraw/zinc/40/88/22/397408822.db2.gz BQINDGVBKDXDHG-MJBXVCDLSA-N 0 0 305.378 0.780 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593869545 397462185 /nfs/dbraw/zinc/46/21/85/397462185.db2.gz MBRNHZSCJJGKNK-FEJXLUKYSA-N 0 0 318.398 0.696 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccccc1F ZINC000487127333 397467252 /nfs/dbraw/zinc/46/72/52/397467252.db2.gz ADJRSTAAQAPPPB-MNOVXSKESA-N 0 0 324.352 0.941 10 0 DCAERN CC(=O)c1ncc(C(=O)NC[C@H]2CN3CCN2CCC3)s1 ZINC000614514988 397460526 /nfs/dbraw/zinc/46/05/26/397460526.db2.gz REFCWDUGZOBPJM-NSHDSACASA-N 0 0 308.407 0.465 10 0 DCAERN CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C1(C)C ZINC000578675263 397470798 /nfs/dbraw/zinc/47/07/98/397470798.db2.gz XXPDDMOSKQDKLP-OLZOCXBDSA-N 0 0 309.410 0.223 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)Nc1nc(C)cs1 ZINC000370410589 397480632 /nfs/dbraw/zinc/48/06/32/397480632.db2.gz PWKUABLSAGSHPD-GXSJLCMTSA-N 0 0 313.379 0.388 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NC[C@@H](O)C2CCOCC2)[nH]n1 ZINC000487538406 397476537 /nfs/dbraw/zinc/47/65/37/397476537.db2.gz MESXELQQRVXLMI-QMTHXVAHSA-N 0 0 310.398 0.736 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](OC)C(C)C ZINC000488288730 397488818 /nfs/dbraw/zinc/48/88/18/397488818.db2.gz FADZMCAFENYYSG-VWYCJHECSA-N 0 0 302.371 0.230 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(OC)CCC1 ZINC000488313515 397488937 /nfs/dbraw/zinc/48/89/37/397488937.db2.gz NIDMYZNVQYXRSQ-VHSXEESVSA-N 0 0 300.355 0.128 10 0 DCAERN Cc1nc2ccccn2c1CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000578836821 397490064 /nfs/dbraw/zinc/49/00/64/397490064.db2.gz GDYGHDAJKVUONP-INIZCTEOSA-N 0 0 313.361 0.817 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ncccc1C ZINC000488326467 397490788 /nfs/dbraw/zinc/49/07/88/397490788.db2.gz FVZPFCHGDSTARW-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1snnc1C ZINC000488146369 397487189 /nfs/dbraw/zinc/48/71/89/397487189.db2.gz HBKGGMRGWSQOLA-HTQZYQBOSA-N 0 0 314.367 0.033 10 0 DCAERN COC(=O)c1ccc(CNC(=O)C2(N3CCOCC3)CCC2)o1 ZINC000578811142 397487906 /nfs/dbraw/zinc/48/79/06/397487906.db2.gz LHVRCKZIEBRMSG-UHFFFAOYSA-N 0 0 322.361 0.937 10 0 DCAERN CCNC(=O)C1(CNC(=O)NC[C@H](O)C(F)(F)F)CCC1 ZINC000488272604 397488171 /nfs/dbraw/zinc/48/81/71/397488171.db2.gz NKLXJZLGXOZQGT-QMMMGPOBSA-N 0 0 311.304 0.515 10 0 DCAERN CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)CC1 ZINC000013370965 285816579 /nfs/dbraw/zinc/81/65/79/285816579.db2.gz HRHSRBNGPDOALS-RXGFPQBGSA-N 0 0 322.361 0.485 10 0 DCAERN C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C(=O)N1CCCC[C@H]1C ZINC000370527415 397497497 /nfs/dbraw/zinc/49/74/97/397497497.db2.gz IWTIEQCNKCTUOW-BFQNTYOBSA-N 0 0 309.410 0.808 10 0 DCAERN Cn1cnc(CCNC(=O)N2CCc3cc[nH]c(=O)c3C2)n1 ZINC000579545798 397578417 /nfs/dbraw/zinc/57/84/17/397578417.db2.gz BEVFUPCDUQTQJW-UHFFFAOYSA-N 0 0 302.338 0.226 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccn1 ZINC000492210911 397518242 /nfs/dbraw/zinc/51/82/42/397518242.db2.gz PNVMLYRLLCNNSM-QWRGUYRKSA-N 0 0 322.365 0.337 10 0 DCAERN Cc1nnc2c3ccccc3c(N3C[C@H](F)C[C@H]3C(N)=O)nn12 ZINC000579032987 397518243 /nfs/dbraw/zinc/51/82/43/397518243.db2.gz GEJRIVQOAKGJKC-SKDRFNHKSA-N 0 0 314.324 0.988 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000579065996 397518885 /nfs/dbraw/zinc/51/88/85/397518885.db2.gz GGXRJUOXPWOVDQ-LLVKDONJSA-N 0 0 304.416 0.015 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CNC(=O)CC2CCCC2)CC1=O ZINC000608219154 397721315 /nfs/dbraw/zinc/72/13/15/397721315.db2.gz DIFQXGRAGWZOHN-MRVWCRGKSA-N 0 0 321.421 0.808 10 0 DCAERN CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608233919 397722711 /nfs/dbraw/zinc/72/27/11/397722711.db2.gz PQRKDDBPPKKXIC-TVQRCGJNSA-N 0 0 316.365 0.629 10 0 DCAERN C[C@@H]1OCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C(F)(F)F ZINC000606444689 397680828 /nfs/dbraw/zinc/68/08/28/397680828.db2.gz FYYYMPLSWZCYQI-YIZRAAEISA-N 0 0 315.313 0.599 10 0 DCAERN CC(=O)N1CCC(C(=O)NCC2(O)Cc3ccccc3C2)CC1 ZINC000606425388 397680989 /nfs/dbraw/zinc/68/09/89/397680989.db2.gz SCSLYAZRZXRBAT-UHFFFAOYSA-N 0 0 316.401 0.891 10 0 DCAERN Cc1cc(CNC(=O)N2CCN(Cc3nc(C)no3)CC2)no1 ZINC000606493218 397682534 /nfs/dbraw/zinc/68/25/34/397682534.db2.gz VRKNSXHERFHRTI-UHFFFAOYSA-N 0 0 320.353 0.702 10 0 DCAERN CN(CCN1C(=O)NC2(CCCC2)C1=O)CC(=O)NC(C)(C)C ZINC000607725727 397704909 /nfs/dbraw/zinc/70/49/09/397704909.db2.gz VWGLRHVBOZWYLO-UHFFFAOYSA-N 0 0 324.425 0.698 10 0 DCAERN COC(=O)CCSCCNC(=O)c1cn2cccnc2n1 ZINC000609610400 397785618 /nfs/dbraw/zinc/78/56/18/397785618.db2.gz COAUAAWOOPAHIX-UHFFFAOYSA-N 0 0 308.363 0.755 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N1CCN(C)CC1 ZINC000609889661 397796864 /nfs/dbraw/zinc/79/68/64/397796864.db2.gz TZSFVPMAQNEUEU-KBPBESRZSA-N 0 0 311.426 0.565 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000610499497 397827049 /nfs/dbraw/zinc/82/70/49/397827049.db2.gz NEFIOJUGFGAMJR-NEPJUHHUSA-N 0 0 308.378 0.799 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@@](C)(O)[C@H](C)c2ccccc2)C1 ZINC000189199626 292180167 /nfs/dbraw/zinc/18/01/67/292180167.db2.gz JFZCKUZUABHJPK-PXAZEXFGSA-N 0 0 320.389 0.515 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000183851895 304369273 /nfs/dbraw/zinc/36/92/73/304369273.db2.gz QRVZGWWGUQVRBR-ZANVPECISA-N 0 0 321.764 0.476 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000183851878 304369408 /nfs/dbraw/zinc/36/94/08/304369408.db2.gz QRVZGWWGUQVRBR-TVQRCGJNSA-N 0 0 321.764 0.476 10 0 DCAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCC2 ZINC000193566999 286243995 /nfs/dbraw/zinc/24/39/95/286243995.db2.gz XAZJDDREWRZWOO-KBUPBQIOSA-N 0 0 324.421 0.774 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408027262 292937508 /nfs/dbraw/zinc/93/75/08/292937508.db2.gz MJMUPRGMQRNAMJ-VOAKCMCISA-N 0 0 322.427 0.076 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329618928 299765572 /nfs/dbraw/zinc/76/55/72/299765572.db2.gz GISFULMQCUYNBF-UONOGXRCSA-N 0 0 317.455 0.512 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408001432 286647895 /nfs/dbraw/zinc/64/78/95/286647895.db2.gz PYWXSBMWIUQRJW-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN CN1N=C(C(=O)NCCNC(=O)c2ccccc2)CCC1=O ZINC000031031561 157984306 /nfs/dbraw/zinc/98/43/06/157984306.db2.gz ZBDCTNGUGOLZGU-UHFFFAOYSA-N 0 0 302.334 0.141 10 0 DCAERN Cc1cc(NC(=O)C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)no1 ZINC000049412023 158010477 /nfs/dbraw/zinc/01/04/77/158010477.db2.gz UQNYAPZHJAEWDR-LLVKDONJSA-N 0 0 320.349 0.439 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)C[C@@H]1CCCO1 ZINC000052102537 158016242 /nfs/dbraw/zinc/01/62/42/158016242.db2.gz POMDKIYGQPSZJU-QWHCGFSZSA-N 0 0 300.399 0.801 10 0 DCAERN CCc1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000054316195 158019762 /nfs/dbraw/zinc/01/97/62/158019762.db2.gz VFBRTHAGYFNPJC-LBPRGKRZSA-N 0 0 308.382 0.703 10 0 DCAERN CCOCCOCC(=O)NCc1cccnc1-n1ccnc1 ZINC000056972054 158024389 /nfs/dbraw/zinc/02/43/89/158024389.db2.gz JJPFOEWWUFSFFH-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN COCc1cccc(CNC(=O)CN2CCNC(=O)CC2)c1 ZINC000065954795 158034813 /nfs/dbraw/zinc/03/48/13/158034813.db2.gz ASQLKUGNPLYFLR-UHFFFAOYSA-N 0 0 305.378 0.271 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000068099110 158041674 /nfs/dbraw/zinc/04/16/74/158041674.db2.gz ZTHXMISJXUNCHT-STQMWFEESA-N 0 0 317.389 0.837 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000068101112 158041868 /nfs/dbraw/zinc/04/18/68/158041868.db2.gz XRPLXYUMPAQCRT-CMPLNLGQSA-N 0 0 314.349 0.388 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000069260135 158044270 /nfs/dbraw/zinc/04/42/70/158044270.db2.gz YWLPFTMBPVHFAR-UHFFFAOYSA-N 0 0 324.425 0.509 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000072708233 158052061 /nfs/dbraw/zinc/05/20/61/158052061.db2.gz NTJSTIVEEBLSQR-SECBINFHSA-N 0 0 318.424 0.743 10 0 DCAERN C[C@H](CNC(=O)c1nc2ccccc2c(=O)[nH]1)N1CCOCC1 ZINC000073655534 158056151 /nfs/dbraw/zinc/05/61/51/158056151.db2.gz UTUJYJURQKFPKH-LLVKDONJSA-N 0 0 316.361 0.374 10 0 DCAERN Cc1noc(COCC(=O)N2CCC(c3nc(C)no3)CC2)n1 ZINC000074510315 158060036 /nfs/dbraw/zinc/06/00/36/158060036.db2.gz PBCYAXJRCOHUIV-UHFFFAOYSA-N 0 0 321.337 0.992 10 0 DCAERN COCCn1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000078237913 158071606 /nfs/dbraw/zinc/07/16/06/158071606.db2.gz WXJLURUBDQEBOW-LLVKDONJSA-N 0 0 302.400 0.918 10 0 DCAERN CC1(C)[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCO[C@@H]21 ZINC000078162301 158071781 /nfs/dbraw/zinc/07/17/81/158071781.db2.gz OTMTYTODTBVAAH-YGNMPJRFSA-N 0 0 301.408 0.741 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079402400 158079012 /nfs/dbraw/zinc/07/90/12/158079012.db2.gz AUUPSKNUUCDOCU-LLVKDONJSA-N 0 0 319.361 0.686 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C ZINC000081467957 158084778 /nfs/dbraw/zinc/08/47/78/158084778.db2.gz CCVVTKYGQSLZJU-LBPRGKRZSA-N 0 0 305.378 0.565 10 0 DCAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cn3cnnn3)C2)c1 ZINC000081641376 158085335 /nfs/dbraw/zinc/08/53/35/158085335.db2.gz HUAKTYSJNORZNE-LLVKDONJSA-N 0 0 317.349 0.706 10 0 DCAERN CSC[C@H](CCO)NC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083734404 158088275 /nfs/dbraw/zinc/08/82/75/158088275.db2.gz NLLIBJDZBAJEJY-QWRGUYRKSA-N 0 0 313.427 0.835 10 0 DCAERN O=C(Cc1ccc(Cl)cc1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856845 158088640 /nfs/dbraw/zinc/08/86/40/158088640.db2.gz MHZJXQKESDHYER-CQSZACIVSA-N 0 0 307.737 0.693 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083712882 158089174 /nfs/dbraw/zinc/08/91/74/158089174.db2.gz WYUPYFIFOJPGKP-NSHDSACASA-N 0 0 308.386 0.637 10 0 DCAERN CN(C)S(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088785019 158096027 /nfs/dbraw/zinc/09/60/27/158096027.db2.gz HGIIALVMHKVRDW-VIFPVBQESA-N 0 0 305.350 0.940 10 0 DCAERN CNC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000090063496 158101987 /nfs/dbraw/zinc/10/19/87/158101987.db2.gz QFJXFEMMSWWAOA-VIFPVBQESA-N 0 0 311.773 0.359 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@@](C)(O)CO)c1 ZINC000090286303 158103759 /nfs/dbraw/zinc/10/37/59/158103759.db2.gz IZKUTGNFHAGWQD-GFCCVEGCSA-N 0 0 318.167 0.931 10 0 DCAERN CCOC(=O)CN(C)C(=O)c1cnc2c(C)cccn2c1=O ZINC000091039835 158106845 /nfs/dbraw/zinc/10/68/45/158106845.db2.gz LLTFCDJSCDPSHO-UHFFFAOYSA-N 0 0 303.318 0.638 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCCCC(=O)N(C)C)cnc12 ZINC000091037920 158107013 /nfs/dbraw/zinc/10/70/13/158107013.db2.gz AYCCWXGVRMTKDP-UHFFFAOYSA-N 0 0 316.361 0.601 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091784175 158109146 /nfs/dbraw/zinc/10/91/46/158109146.db2.gz HPBNGRBSOWVSRG-AWEZNQCLSA-N 0 0 322.409 0.411 10 0 DCAERN CCn1cnc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000092910344 158117504 /nfs/dbraw/zinc/11/75/04/158117504.db2.gz BFOGZXCHHTVIGW-GXTWGEPZSA-N 0 0 307.375 0.840 10 0 DCAERN CCc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)[nH]n1 ZINC000097218690 158125498 /nfs/dbraw/zinc/12/54/98/158125498.db2.gz UHSVWYAGUZFABG-LBPRGKRZSA-N 0 0 320.393 0.683 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000104797736 158129578 /nfs/dbraw/zinc/12/95/78/158129578.db2.gz UXOWAJXHZDZKSX-FZMZJTMJSA-N 0 0 311.357 0.489 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000106850019 158134023 /nfs/dbraw/zinc/13/40/23/158134023.db2.gz FMTFBPRCXALRAM-GFCCVEGCSA-N 0 0 304.412 0.295 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1Cc1noc(C2CCOCC2)n1 ZINC000108860753 158136318 /nfs/dbraw/zinc/13/63/18/158136318.db2.gz JFKXUGWCFJIQLU-CYBMUJFWSA-N 0 0 308.382 0.920 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111360674 158141296 /nfs/dbraw/zinc/14/12/96/158141296.db2.gz XQFRDXNDYDMDJX-ZDUSSCGKSA-N 0 0 316.427 0.651 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)S(C)(=O)=O ZINC000114312993 158151961 /nfs/dbraw/zinc/15/19/61/158151961.db2.gz DKMDYWUICFPGSA-YPMHNXCESA-N 0 0 324.402 0.731 10 0 DCAERN COCCS(=O)(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114500525 158154656 /nfs/dbraw/zinc/15/46/56/158154656.db2.gz JCLPMHAXUTVROR-ZDUSSCGKSA-N 0 0 312.391 0.748 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCC(=O)N(C)C ZINC000114583722 158154929 /nfs/dbraw/zinc/15/49/29/158154929.db2.gz YHYBERGRHXFXCD-GFCCVEGCSA-N 0 0 307.398 0.972 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000114779173 158156165 /nfs/dbraw/zinc/15/61/65/158156165.db2.gz OVYSNLFBQCBABR-LBPRGKRZSA-N 0 0 314.345 0.662 10 0 DCAERN O=Cc1ccccc1OCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114858013 158157438 /nfs/dbraw/zinc/15/74/38/158157438.db2.gz YLEYWQMDKOTNKW-HNNXBMFYSA-N 0 0 318.373 0.857 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1cnn(C)c1)CC2 ZINC000114869817 158158739 /nfs/dbraw/zinc/15/87/39/158158739.db2.gz JTDBCYNOEILZSP-GFCCVEGCSA-N 0 0 302.382 0.638 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)NCCCN1CCCC1=O ZINC000114907899 158158820 /nfs/dbraw/zinc/15/88/20/158158820.db2.gz BZEDYGXQZKYPOX-ZDUSSCGKSA-N 0 0 310.398 0.165 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CC2 ZINC000114872922 158159083 /nfs/dbraw/zinc/15/90/83/158159083.db2.gz ONTOWYRKCJLUNK-SNVBAGLBSA-N 0 0 314.349 0.079 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCn1ccnc1)CC2 ZINC000114908035 158159141 /nfs/dbraw/zinc/15/91/41/158159141.db2.gz GJGVNAVCAIQZPA-LLVKDONJSA-N 0 0 303.370 0.351 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccc(OC)n2)C[C@@H]1C ZINC000117487710 158171969 /nfs/dbraw/zinc/17/19/69/158171969.db2.gz CREVRRUAINQFAY-ZDUSSCGKSA-N 0 0 322.409 0.952 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000117700251 158173526 /nfs/dbraw/zinc/17/35/26/158173526.db2.gz HRQQUTZYTCOJSQ-NSHDSACASA-N 0 0 317.349 0.814 10 0 DCAERN Cn1ncc(C(=O)NC[C@]2(CCO)CCOC2)c1-n1cccc1 ZINC000119156008 158183913 /nfs/dbraw/zinc/18/39/13/158183913.db2.gz QZDPWEQEKXSEIT-INIZCTEOSA-N 0 0 318.377 0.730 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cc(-n2cccn2)ccn1 ZINC000119354632 158185274 /nfs/dbraw/zinc/18/52/74/158185274.db2.gz DGKILHBUHUSMNT-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC000120127660 158193422 /nfs/dbraw/zinc/19/34/22/158193422.db2.gz DQMZKQAWUTZJJJ-AWEZNQCLSA-N 0 0 317.389 0.909 10 0 DCAERN Cc1ccc(CCC(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000120200162 158195293 /nfs/dbraw/zinc/19/52/93/158195293.db2.gz UMFWCKRPTZVPKQ-INIZCTEOSA-N 0 0 306.406 0.737 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000120448646 158197745 /nfs/dbraw/zinc/19/77/45/158197745.db2.gz XFIDCMZEOZWXIS-AVGNSLFASA-N 0 0 312.414 0.641 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000120720637 158202768 /nfs/dbraw/zinc/20/27/68/158202768.db2.gz MHEPVGTYDFYNCI-NEPJUHHUSA-N 0 0 322.413 0.562 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CC(CO)C1 ZINC000122470512 158221128 /nfs/dbraw/zinc/22/11/28/158221128.db2.gz XVTUTVTUGKNQCW-UHFFFAOYSA-N 0 0 303.406 0.255 10 0 DCAERN COc1cccc(CS(=O)(=O)CCC(=O)NC(C)C)n1 ZINC000122581082 158221848 /nfs/dbraw/zinc/22/18/48/158221848.db2.gz LCUMUNIKCBPXFZ-UHFFFAOYSA-N 0 0 300.380 0.920 10 0 DCAERN CN1C[C@H](C(=O)NC2CCN(c3ccccn3)CC2)CC1=O ZINC000122874964 158225524 /nfs/dbraw/zinc/22/55/24/158225524.db2.gz ZSDLGCDPYHBFPW-GFCCVEGCSA-N 0 0 302.378 0.645 10 0 DCAERN CC[C@H](C(=O)Nc1cc(CCOC)nn1C)N1CCCC1=O ZINC000123037643 158225812 /nfs/dbraw/zinc/22/58/12/158225812.db2.gz ZKDNFORRWHBYCF-GFCCVEGCSA-N 0 0 308.382 0.949 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NCCCN1CCCC1=O ZINC000123141883 158226791 /nfs/dbraw/zinc/22/67/91/158226791.db2.gz VPVGGECTUMPQAP-UHFFFAOYSA-N 0 0 303.362 0.545 10 0 DCAERN O=S(=O)(Cc1ccccc1)NC[C@H]1CN(C2CC2)CCO1 ZINC000123656838 158233186 /nfs/dbraw/zinc/23/31/86/158233186.db2.gz PPTJQPLQIIBCCL-HNNXBMFYSA-N 0 0 310.419 0.969 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000124318462 158241354 /nfs/dbraw/zinc/24/13/54/158241354.db2.gz CDUGODSBEGPLMB-TZMCWYRMSA-N 0 0 312.410 0.824 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000125156861 158252702 /nfs/dbraw/zinc/25/27/02/158252702.db2.gz CPXGPWIXCWHOCR-NSHDSACASA-N 0 0 311.407 0.941 10 0 DCAERN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000125267650 158253970 /nfs/dbraw/zinc/25/39/70/158253970.db2.gz NJVXNUAVDNHSJD-MNOVXSKESA-N 0 0 318.377 0.749 10 0 DCAERN Cc1ccc(CN(C(=O)CN2CCNC(=O)CC2)C2CC2)o1 ZINC000126144609 158262112 /nfs/dbraw/zinc/26/21/12/158262112.db2.gz XHZMLIKXHODASR-UHFFFAOYSA-N 0 0 305.378 0.901 10 0 DCAERN O=C(Nc1cnn(CC(F)F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000126491902 158266263 /nfs/dbraw/zinc/26/62/63/158266263.db2.gz MAXUGRRGIABBIG-SSDOTTSWSA-N 0 0 301.253 0.075 10 0 DCAERN O=C(Nc1cnn(CC(F)F)c1)N[C@H]1CCC(=O)NC1=O ZINC000126492127 158266667 /nfs/dbraw/zinc/26/66/67/158266667.db2.gz MAXUGRRGIABBIG-ZETCQYMHSA-N 0 0 301.253 0.075 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127406831 158272774 /nfs/dbraw/zinc/27/27/74/158272774.db2.gz MYDBFZAHINTGPH-HNNXBMFYSA-N 0 0 317.389 0.396 10 0 DCAERN O=C(CNC(=O)c1cccs1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127540728 158274257 /nfs/dbraw/zinc/27/42/57/158274257.db2.gz CJCDLKGXXGNUPZ-LBPRGKRZSA-N 0 0 323.418 0.457 10 0 DCAERN CSCc1noc(CCC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000128418297 158280734 /nfs/dbraw/zinc/28/07/34/158280734.db2.gz OMWIJBPSAGAVQO-JTQLQIEISA-N 0 0 314.411 0.312 10 0 DCAERN CCCCOC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000128459646 158281672 /nfs/dbraw/zinc/28/16/72/158281672.db2.gz HKMYNTRDJZSWGZ-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@@H]1COc2ccccc21 ZINC000128641640 158282331 /nfs/dbraw/zinc/28/23/31/158282331.db2.gz XXCKKEFNIZNCSG-KOLCDFICSA-N 0 0 315.333 0.058 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1cccc2ncccc21 ZINC000129013912 158284928 /nfs/dbraw/zinc/28/49/28/158284928.db2.gz JVZAIGXEGRCQTR-ZDUSSCGKSA-N 0 0 315.373 0.658 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2ccccc2n1 ZINC000129105666 158285825 /nfs/dbraw/zinc/28/58/25/158285825.db2.gz XCPDUQOTNFAIRK-CQSZACIVSA-N 0 0 315.373 0.658 10 0 DCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N1CCC(OCCO)CC1 ZINC000129230026 158286456 /nfs/dbraw/zinc/28/64/56/158286456.db2.gz WGOPKRRMSPAJOU-JQWIXIFHSA-N 0 0 301.387 0.069 10 0 DCAERN CC(=O)c1cn(CC(=O)N(CC(C)C)C(C)C)c(=O)n(C)c1=O ZINC000129390663 158288515 /nfs/dbraw/zinc/28/85/15/158288515.db2.gz KEKKEHURJAQKSV-UHFFFAOYSA-N 0 0 323.393 0.643 10 0 DCAERN CCCCNC(=O)c1ccc(CNC(=O)CC(=O)NC)cc1 ZINC000130268359 158295129 /nfs/dbraw/zinc/29/51/29/158295129.db2.gz YAMAFULSVFSZRU-UHFFFAOYSA-N 0 0 305.378 0.969 10 0 DCAERN CCc1nnc(Sc2nn3c(nc(CC)cc3=O)s2)n1N ZINC000130480809 158296217 /nfs/dbraw/zinc/29/62/17/158296217.db2.gz NCUVVDFGDCNTPT-UHFFFAOYSA-N 0 0 323.407 0.732 10 0 DCAERN C[C@@H](CO)CS(=O)(=O)Cc1cnn(C)c1C(F)(F)F ZINC000131119624 158298378 /nfs/dbraw/zinc/29/83/78/158298378.db2.gz OILYUIVAIYAPFV-ZETCQYMHSA-N 0 0 300.302 0.982 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC000131631182 158304346 /nfs/dbraw/zinc/30/43/46/158304346.db2.gz JNMWTTZRGITGAM-OLZOCXBDSA-N 0 0 313.442 0.452 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000131847268 158306061 /nfs/dbraw/zinc/30/60/61/158306061.db2.gz JZRHIPLTGTTZLD-GFCCVEGCSA-N 0 0 324.402 0.370 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000132405676 158310568 /nfs/dbraw/zinc/31/05/68/158310568.db2.gz KCHHVWNZMCCCOL-RKDXNWHRSA-N 0 0 310.379 0.875 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1nccn1C(F)F ZINC000132611839 158313315 /nfs/dbraw/zinc/31/33/15/158313315.db2.gz ZPDMMKBVLVCXSZ-MRVPVSSYSA-N 0 0 323.321 0.050 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCc3ccc(F)cc3C2)C1 ZINC000133903331 158323501 /nfs/dbraw/zinc/32/35/01/158323501.db2.gz IAZNVHDQDQDUCX-ZDUSSCGKSA-N 0 0 319.380 0.908 10 0 DCAERN Cc1cncc(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000134478065 158327773 /nfs/dbraw/zinc/32/77/73/158327773.db2.gz PIUGCLODIPECHV-LBPRGKRZSA-N 0 0 312.395 0.223 10 0 DCAERN CNC(=O)NCC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000134831645 158330818 /nfs/dbraw/zinc/33/08/18/158330818.db2.gz FIDIWWZIOMYYAA-ZDUSSCGKSA-N 0 0 309.341 0.963 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCOCC1 ZINC000134933260 158332592 /nfs/dbraw/zinc/33/25/92/158332592.db2.gz FFBGQCMDTSTJSB-DZGCQCFKSA-N 0 0 311.426 0.918 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000135078680 158334276 /nfs/dbraw/zinc/33/42/76/158334276.db2.gz AZRDVRQANXYICX-CYBMUJFWSA-N 0 0 319.409 0.958 10 0 DCAERN Cn1cc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135267295 158334992 /nfs/dbraw/zinc/33/49/92/158334992.db2.gz FRJMLFJNXCUXOP-CYBMUJFWSA-N 0 0 300.366 0.538 10 0 DCAERN C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCC2 ZINC000135353401 158336656 /nfs/dbraw/zinc/33/66/56/158336656.db2.gz WCFAXPCCLJFOFT-SECBINFHSA-N 0 0 304.354 0.400 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)C1 ZINC000135752609 158340116 /nfs/dbraw/zinc/34/01/16/158340116.db2.gz OEGXNWVHWAOOKB-JSGCOSHPSA-N 0 0 318.377 0.852 10 0 DCAERN CC(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135752102 158340388 /nfs/dbraw/zinc/34/03/88/158340388.db2.gz ZJPDBTHIMAZEGA-CHWSQXEVSA-N 0 0 306.366 0.754 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135808164 158340524 /nfs/dbraw/zinc/34/05/24/158340524.db2.gz QRSUEBZRWJLKHO-CYBMUJFWSA-N 0 0 312.391 0.886 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1cscn1 ZINC000138771200 158347877 /nfs/dbraw/zinc/34/78/77/158347877.db2.gz UXGVZUUGPPDLMY-JTQLQIEISA-N 0 0 310.423 0.700 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCc1c[nH]c2ccccc12 ZINC000155702168 158350941 /nfs/dbraw/zinc/35/09/41/158350941.db2.gz ZHYOITMCHKRDKQ-ZDUSSCGKSA-N 0 0 314.345 0.815 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2)CCS1(=O)=O ZINC000155692703 158351057 /nfs/dbraw/zinc/35/10/57/158351057.db2.gz SWEPTMJCUSIWAR-CYBMUJFWSA-N 0 0 310.419 0.764 10 0 DCAERN CCc1ncsc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000161549826 158357392 /nfs/dbraw/zinc/35/73/92/158357392.db2.gz VSLAHDNIAMZSIH-AWEZNQCLSA-N 0 0 313.423 0.519 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000163057397 158361386 /nfs/dbraw/zinc/36/13/86/158361386.db2.gz CFUVMDJYSIOARE-LBPRGKRZSA-N 0 0 319.409 0.874 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000166887044 158367003 /nfs/dbraw/zinc/36/70/03/158367003.db2.gz PFZVTSRYRPDNAK-LBPRGKRZSA-N 0 0 315.333 0.238 10 0 DCAERN O=C(CN1CCN(C(=O)N[C@@H]2CCCOC2)CC1)N1CCCC1 ZINC000171617951 158384684 /nfs/dbraw/zinc/38/46/84/158384684.db2.gz ABBXFZMMJVCBSG-CQSZACIVSA-N 0 0 324.425 0.115 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000171767914 158386531 /nfs/dbraw/zinc/38/65/31/158386531.db2.gz NEAJHYQJVPULDX-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171744737 158386655 /nfs/dbraw/zinc/38/66/55/158386655.db2.gz IJWCWHRMDQMCNS-HOCLYGCPSA-N 0 0 317.389 0.956 10 0 DCAERN CC1(C)CN(CCNC(=O)N[C@H]2CCc3ncnn3C2)CCO1 ZINC000171870196 158387378 /nfs/dbraw/zinc/38/73/78/158387378.db2.gz ZHKJGDBXXACNAU-LBPRGKRZSA-N 0 0 322.413 0.003 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172051660 158390253 /nfs/dbraw/zinc/39/02/53/158390253.db2.gz DJZWFMZEXDTQEF-DOMZBBRYSA-N 0 0 318.377 0.196 10 0 DCAERN NC(=O)CCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000172067783 158390358 /nfs/dbraw/zinc/39/03/58/158390358.db2.gz OOZAKXNUWKNCHW-GFCCVEGCSA-N 0 0 304.350 0.357 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172275042 158393413 /nfs/dbraw/zinc/39/34/13/158393413.db2.gz GICPGVAYKFVLNZ-WQAKAFBOSA-N 0 0 312.391 0.377 10 0 DCAERN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000172532222 158394988 /nfs/dbraw/zinc/39/49/88/158394988.db2.gz GQGOALRFITWKIG-VXGBXAGGSA-N 0 0 306.366 0.934 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172542082 158395862 /nfs/dbraw/zinc/39/58/62/158395862.db2.gz ZZISAPLVQLNCOL-AAEUAGOBSA-N 0 0 319.409 0.991 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172656213 158397404 /nfs/dbraw/zinc/39/74/04/158397404.db2.gz FUEWIRHLYVGNHE-GFCCVEGCSA-N 0 0 318.333 0.808 10 0 DCAERN O=C(Nc1nncs1)C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000173048155 158402930 /nfs/dbraw/zinc/40/29/30/158402930.db2.gz YXHNVEDJTBUAHL-UHFFFAOYSA-N 0 0 316.408 0.681 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173786407 158409545 /nfs/dbraw/zinc/40/95/45/158409545.db2.gz DCHPSLZETFNFMD-CQSZACIVSA-N 0 0 318.377 0.724 10 0 DCAERN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)c1ccc(F)cc1F ZINC000174320101 158416876 /nfs/dbraw/zinc/41/68/76/158416876.db2.gz ZHNWECIHCFJUEX-MRVPVSSYSA-N 0 0 323.303 0.575 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H](C)C(C)C ZINC000175354278 158426139 /nfs/dbraw/zinc/42/61/39/158426139.db2.gz JSUUPDMXCRSYDJ-GFCCVEGCSA-N 0 0 308.444 0.739 10 0 DCAERN COCCCOC1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000176922823 158443452 /nfs/dbraw/zinc/44/34/52/158443452.db2.gz SNYBDBFGKDGJDT-UHFFFAOYSA-N 0 0 317.345 0.801 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H](C)CCO)CC2)n1 ZINC000178612710 158460296 /nfs/dbraw/zinc/46/02/96/158460296.db2.gz LMWUVHUSDXBXNT-LLVKDONJSA-N 0 0 308.382 0.589 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N[C@H](C(=O)NC)C(C)C)CC1=O ZINC000178692292 158461245 /nfs/dbraw/zinc/46/12/45/158461245.db2.gz FQSJGQKIKWWZJS-RISCZKNCSA-N 0 0 311.426 0.910 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3nncs3)[C@@H]2C1 ZINC000179494179 158473160 /nfs/dbraw/zinc/47/31/60/158473160.db2.gz KBVXKWHSETVNBZ-GMTAPVOTSA-N 0 0 312.395 0.745 10 0 DCAERN COC[C@](C)(CCO)NC(=O)CNC(=O)Cc1ccccc1 ZINC000182834202 158493523 /nfs/dbraw/zinc/49/35/23/158493523.db2.gz LKUMSPVMCAGSOV-INIZCTEOSA-N 0 0 308.378 0.249 10 0 DCAERN Cn1ccc(CC(=O)N[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000183622511 158500923 /nfs/dbraw/zinc/50/09/23/158500923.db2.gz YHSKXQLQVBYEKB-CYBMUJFWSA-N 0 0 300.366 0.538 10 0 DCAERN COc1cc(N2CCN(C(=O)c3cc(C)no3)CC2)ncn1 ZINC000183812229 158502163 /nfs/dbraw/zinc/50/21/63/158502163.db2.gz BHSMHRGGTGPYPV-UHFFFAOYSA-N 0 0 303.322 0.744 10 0 DCAERN COC(=O)C1(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000185133436 158515109 /nfs/dbraw/zinc/51/51/09/158515109.db2.gz XVTIWGVEOCIFJT-LLVKDONJSA-N 0 0 306.366 0.458 10 0 DCAERN O=C(CN1CCCC1=O)N1Cc2cnnn2Cc2ccccc21 ZINC000189033137 158549667 /nfs/dbraw/zinc/54/96/67/158549667.db2.gz FAJBWZBUBJKPNY-UHFFFAOYSA-N 0 0 311.345 0.795 10 0 DCAERN COCCCS(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189175313 158550381 /nfs/dbraw/zinc/55/03/81/158550381.db2.gz ABNKTAMOCXWQJB-UHFFFAOYSA-N 0 0 302.400 0.206 10 0 DCAERN O=C(NCc1nnc2ccccn21)N1CCC[C@]12CCOC2=O ZINC000189989226 158557719 /nfs/dbraw/zinc/55/77/19/158557719.db2.gz NUKDADZMBRXPMY-OAHLLOKOSA-N 0 0 315.333 0.720 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)NC2(CO)CC2)n1 ZINC000190365583 158559393 /nfs/dbraw/zinc/55/93/93/158559393.db2.gz TVMONWJWVCLGOH-UHFFFAOYSA-N 0 0 302.338 0.926 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000190987792 158564519 /nfs/dbraw/zinc/56/45/19/158564519.db2.gz IUXNRSDYUVHUCM-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN CCN1CN(C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1=O ZINC000192200701 158574227 /nfs/dbraw/zinc/57/42/27/158574227.db2.gz WANVYZZAPSBKGF-UHFFFAOYSA-N 0 0 319.300 0.455 10 0 DCAERN COCCO[C@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000194282779 158595186 /nfs/dbraw/zinc/59/51/86/158595186.db2.gz NMQULMJZLJXSLM-STQMWFEESA-N 0 0 323.397 0.950 10 0 DCAERN O=C(COC[C@H]1CCOC1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000246584585 158666515 /nfs/dbraw/zinc/66/65/15/158666515.db2.gz BFVXLTWRIISBPW-UONOGXRCSA-N 0 0 320.393 0.615 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000247292061 158680074 /nfs/dbraw/zinc/68/00/74/158680074.db2.gz HCYSCCMOVOLICI-RDBSUJKOSA-N 0 0 316.357 0.928 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000248486161 158692946 /nfs/dbraw/zinc/69/29/46/158692946.db2.gz KZXSQKOZEIZTES-VNBSIWGGSA-N 0 0 310.419 0.887 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250429466 158712428 /nfs/dbraw/zinc/71/24/28/158712428.db2.gz QVBWJJGJYLCPFA-GXTWGEPZSA-N 0 0 319.423 0.896 10 0 DCAERN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263000874 158852231 /nfs/dbraw/zinc/85/22/31/158852231.db2.gz OTTJDUHPTSATNT-JTQLQIEISA-N 0 0 313.304 0.561 10 0 DCAERN CN(C)c1nccc([C@@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)n1 ZINC000276489616 158939927 /nfs/dbraw/zinc/93/99/27/158939927.db2.gz AZTPUZPOFMIYBD-YPMHNXCESA-N 0 0 306.366 0.479 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000285424746 158964749 /nfs/dbraw/zinc/96/47/49/158964749.db2.gz ICVPHOKQIOQKCB-SWLSCSKDSA-N 0 0 324.764 0.482 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000312510921 158996186 /nfs/dbraw/zinc/99/61/86/158996186.db2.gz NATFVGQCHANNDN-RYUDHWBXSA-N 0 0 303.355 0.904 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000313955791 158997727 /nfs/dbraw/zinc/99/77/27/158997727.db2.gz DTHIPRCIVYUWKC-IAQYHMDHSA-N 0 0 306.387 0.715 10 0 DCAERN O=S1(=O)CCC(CN2CCN(Cc3ccon3)CC2)CC1 ZINC000328617101 159015764 /nfs/dbraw/zinc/01/57/64/159015764.db2.gz TVQBYGIJAOBLBZ-UHFFFAOYSA-N 0 0 313.423 0.617 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328644465 159016841 /nfs/dbraw/zinc/01/68/41/159016841.db2.gz GPXMSZQEDOOHLG-NXEZZACHSA-N 0 0 308.338 0.879 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCN[C@H](c3cccnc3)C2)C1 ZINC000328659132 159017417 /nfs/dbraw/zinc/01/74/17/159017417.db2.gz SEJCNHJDBNWOCO-CVEARBPZSA-N 0 0 316.405 0.813 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN[C@H](c4cccnc4)C3)cnc21 ZINC000328653765 159017702 /nfs/dbraw/zinc/01/77/02/159017702.db2.gz LIMCRFKQPSBXTA-AWEZNQCLSA-N 0 0 323.360 0.545 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)CCS1(=O)=O ZINC000328671453 159019425 /nfs/dbraw/zinc/01/94/25/159019425.db2.gz NJRFBYNTPGFWOW-GHMZBOCLSA-N 0 0 302.396 0.921 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)O3)cn1 ZINC000328677406 159020318 /nfs/dbraw/zinc/02/03/18/159020318.db2.gz LZPMRUBTCBIOMU-LJISPDSOSA-N 0 0 321.377 0.607 10 0 DCAERN CCn1c([C@@H]2COCCO2)nnc1N1CCN(C2CC2)CC1 ZINC000328722019 159024121 /nfs/dbraw/zinc/02/41/21/159024121.db2.gz XGPCRNPXQJZCFL-ZDUSSCGKSA-N 0 0 307.398 0.670 10 0 DCAERN C[C@@H](CC(=O)N1CCO[C@]2(CCOC2)C1)N1CCCCC1=O ZINC000328733043 159024689 /nfs/dbraw/zinc/02/46/89/159024689.db2.gz HLBRQEUIKFFVRI-XJKSGUPXSA-N 0 0 310.394 0.795 10 0 DCAERN CC1(C)SC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000328748983 159026362 /nfs/dbraw/zinc/02/63/62/159026362.db2.gz PWISEXOHOSLRPU-SECBINFHSA-N 0 0 313.466 0.377 10 0 DCAERN CCn1nccc1CN(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000328791043 159029753 /nfs/dbraw/zinc/02/97/53/159029753.db2.gz ZBIQUZFRLBHVCK-LBPRGKRZSA-N 0 0 314.411 0.574 10 0 DCAERN C[C@H](CC(=O)N(C)CC1(O)CCOCC1)N1CCCCC1=O ZINC000328788876 159029941 /nfs/dbraw/zinc/02/99/41/159029941.db2.gz XYVONFOLCSTOGA-CYBMUJFWSA-N 0 0 312.410 0.777 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328826446 159033186 /nfs/dbraw/zinc/03/31/86/159033186.db2.gz JIPMQIQXOAKETG-GMTAPVOTSA-N 0 0 311.407 0.875 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)nn1C ZINC000328922618 159041639 /nfs/dbraw/zinc/04/16/39/159041639.db2.gz UMVJETVIKDATEJ-AWEZNQCLSA-N 0 0 319.409 0.107 10 0 DCAERN O=C(CCn1cnccc1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328935893 159044133 /nfs/dbraw/zinc/04/41/33/159044133.db2.gz QNBSYUYHPVJFIN-BBRMVZONSA-N 0 0 305.378 0.787 10 0 DCAERN Cc1noc([C@H]2CCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000328950830 159045695 /nfs/dbraw/zinc/04/56/95/159045695.db2.gz CKCBOUFCMTVXJM-NEPJUHHUSA-N 0 0 321.381 0.941 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000328984673 159050031 /nfs/dbraw/zinc/05/00/31/159050031.db2.gz SWLXBTCYESXETR-UONOGXRCSA-N 0 0 306.410 0.532 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000329033757 159053769 /nfs/dbraw/zinc/05/37/69/159053769.db2.gz MCTIFVSUPUTQTQ-HZSPNIEDSA-N 0 0 316.405 0.843 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(C)n(C)n3)CCO2)c1 ZINC000329239665 159075410 /nfs/dbraw/zinc/07/54/10/159075410.db2.gz MDGXGHQRXOCQBD-ZDUSSCGKSA-N 0 0 303.366 0.775 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000329273209 159078496 /nfs/dbraw/zinc/07/84/96/159078496.db2.gz IWXJAFGWIANOMA-NXEZZACHSA-N 0 0 308.338 0.736 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)N2CCO[C@@H]3CCC[C@H]32)C1=O ZINC000329326691 159083235 /nfs/dbraw/zinc/08/32/35/159083235.db2.gz UEGULRYFZHNYCL-HFAKWTLXSA-N 0 0 309.366 0.691 10 0 DCAERN O=C(c1nc(C2CC2)n2ccccc12)N1C[C@@H](O)C[C@H]1CO ZINC000329373532 159086408 /nfs/dbraw/zinc/08/64/08/159086408.db2.gz NBZRQGQVMKERGR-RYUDHWBXSA-N 0 0 301.346 0.779 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CCc3nccn3C2)CCO1 ZINC000329369160 159086633 /nfs/dbraw/zinc/08/66/33/159086633.db2.gz AJAAVNWJLMSIDM-AGIUHOORSA-N 0 0 313.423 0.932 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC(=O)[C@H](C)C3)nc2n1 ZINC000329378814 159087449 /nfs/dbraw/zinc/08/74/49/159087449.db2.gz MQZQNHLAFQPWNO-SECBINFHSA-N 0 0 301.350 0.721 10 0 DCAERN CN1CCN(C(=O)Cc2noc(C(C)(C)C(F)F)n2)CC1 ZINC000329472860 159095729 /nfs/dbraw/zinc/09/57/29/159095729.db2.gz BHDVNEBTHIXVLH-UHFFFAOYSA-N 0 0 302.325 0.929 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCC[C@@H](OC)C2)nn1 ZINC000329501731 159098252 /nfs/dbraw/zinc/09/82/52/159098252.db2.gz GJUAOCZMNVUUEP-RAIGVLPGSA-N 0 0 310.354 0.115 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)C[C@@H](C)O1 ZINC000329549964 159102132 /nfs/dbraw/zinc/10/21/32/159102132.db2.gz JCFUKXOFBASSTC-HBJVGIJOSA-N 0 0 324.381 0.504 10 0 DCAERN C[C@H]1CN(C(=O)c2snnc2C2CC2)CCS1(=O)=O ZINC000329561400 159103262 /nfs/dbraw/zinc/10/32/62/159103262.db2.gz JEPMSGKGBYBIBG-ZETCQYMHSA-N 0 0 301.393 0.675 10 0 DCAERN c1[nH]nc([C@H]2CCOC2)c1-c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329579493 159103568 /nfs/dbraw/zinc/10/35/68/159103568.db2.gz KTZHKOPGBRJAIA-CMPLNLGQSA-N 0 0 316.365 0.636 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[C@]34CCOC4)CCO2)n1 ZINC000329623098 159107362 /nfs/dbraw/zinc/10/73/62/159107362.db2.gz HLLGLJGUZPMYKX-DZKIICNBSA-N 0 0 320.393 0.549 10 0 DCAERN Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]2CCC[C@H]21 ZINC000329844575 159123755 /nfs/dbraw/zinc/12/37/55/159123755.db2.gz OJSCGGYYTAIIFS-NEPJUHHUSA-N 0 0 305.382 0.809 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@H](CO)O1 ZINC000329935393 159130282 /nfs/dbraw/zinc/13/02/82/159130282.db2.gz CMUDICGYZAWTQI-FMCLSXCISA-N 0 0 309.366 0.106 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C(=O)c1cnn2ccncc12)C1CC1 ZINC000330041710 159137139 /nfs/dbraw/zinc/13/71/39/159137139.db2.gz BXLQHQFINAVLKP-JTQLQIEISA-N 0 0 322.390 0.767 10 0 DCAERN C[C@@H]1OCC[C@]12CN(S(=O)(=O)[C@@H]1CCCOC1)CCO2 ZINC000330117914 159143200 /nfs/dbraw/zinc/14/32/00/159143200.db2.gz XRECWTDHRUXRDA-XQQFMLRXSA-N 0 0 305.396 0.375 10 0 DCAERN O=C(CS(=O)(=O)[C@@H]1CCOC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000330135113 159144901 /nfs/dbraw/zinc/14/49/01/159144901.db2.gz MQGRHMMKAXSDQA-FRRDWIJNSA-N 0 0 317.407 0.360 10 0 DCAERN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@H](C2CC2)C1 ZINC000330168655 159147133 /nfs/dbraw/zinc/14/71/33/159147133.db2.gz CTRMGRFMRALPRB-NSHDSACASA-N 0 0 307.375 0.600 10 0 DCAERN CCc1noc2ncc(S(=O)(=O)N3CC(O)(C4CC4)C3)cc12 ZINC000330168272 159147451 /nfs/dbraw/zinc/14/74/51/159147451.db2.gz WHAKWUGAIPSFBC-UHFFFAOYSA-N 0 0 323.374 0.931 10 0 DCAERN O=C(N1CCO[C@@H](COCC2CC2)C1)[C@]1(O)CCSC1 ZINC000330176196 159148206 /nfs/dbraw/zinc/14/82/06/159148206.db2.gz JSFPDLFSLMLDEB-OCCSQVGLSA-N 0 0 301.408 0.508 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330393570 159167641 /nfs/dbraw/zinc/16/76/41/159167641.db2.gz KTOFEQJORMIXNL-GFCCVEGCSA-N 0 0 318.439 0.780 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)NCc2ccc(NC(C)=O)nc2)N(C)C1 ZINC000330589536 159198200 /nfs/dbraw/zinc/19/82/00/159198200.db2.gz YABGAMPDIPUQBO-STQMWFEESA-N 0 0 306.366 0.375 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)CCC2 ZINC000332735861 159211466 /nfs/dbraw/zinc/21/14/66/159211466.db2.gz WEVRBFZKEHTHJD-CHWSQXEVSA-N 0 0 319.409 0.941 10 0 DCAERN CN1CC[C@@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1=O ZINC000332890029 159215932 /nfs/dbraw/zinc/21/59/32/159215932.db2.gz DNXAMUVMSPXATM-ZYHUDNBSSA-N 0 0 319.386 0.836 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000332888340 159215939 /nfs/dbraw/zinc/21/59/39/159215939.db2.gz RXHSKIZHMYDJIT-KBPBESRZSA-N 0 0 319.336 0.668 10 0 DCAERN CN1C[C@@H](CNC(=O)[C@H]2CCNC(=O)C2)Cc2ccccc21 ZINC000332950316 159217802 /nfs/dbraw/zinc/21/78/02/159217802.db2.gz WGIUURSKKXIYSP-OCCSQVGLSA-N 0 0 301.390 0.938 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000348259356 159236712 /nfs/dbraw/zinc/23/67/12/159236712.db2.gz LLIMGMCTXTZGDL-WQAKAFBOSA-N 0 0 310.300 0.878 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H](C)c1noc(COCC)n1 ZINC000358479767 159255090 /nfs/dbraw/zinc/25/50/90/159255090.db2.gz PBNTVYUMWSZJHT-VIFPVBQESA-N 0 0 313.358 0.493 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000359282007 159262480 /nfs/dbraw/zinc/26/24/80/159262480.db2.gz DJFRUNWNRAMDKU-NSHDSACASA-N 0 0 300.384 0.139 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000365021282 159277023 /nfs/dbraw/zinc/27/70/23/159277023.db2.gz YJUVSHKDRPDFOO-UHFFFAOYSA-N 0 0 317.393 0.409 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000366743880 159282532 /nfs/dbraw/zinc/28/25/32/159282532.db2.gz KJTCZKBZXPEGQE-LLVKDONJSA-N 0 0 310.379 0.923 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC12CCC2 ZINC000366777469 159286439 /nfs/dbraw/zinc/28/64/39/159286439.db2.gz QDQOIBSVOTYNPY-UHFFFAOYSA-N 0 0 318.439 0.876 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCO1 ZINC000366778845 159286548 /nfs/dbraw/zinc/28/65/48/159286548.db2.gz IGDOBCFGOBSQCF-RVMXOQNASA-N 0 0 324.377 0.527 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)C1SCCS1 ZINC000367070073 159311579 /nfs/dbraw/zinc/31/15/79/159311579.db2.gz CIVXECJWNPXTGN-SNVBAGLBSA-N 0 0 316.448 0.689 10 0 DCAERN CC1(C)OC(=O)c2c1ccnc2N[C@H]1CCCN(CCO)C1=O ZINC000367167430 159318617 /nfs/dbraw/zinc/31/86/17/159318617.db2.gz ZBOUKLVYKOVALH-NSHDSACASA-N 0 0 319.361 0.882 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000367740406 159353317 /nfs/dbraw/zinc/35/33/17/159353317.db2.gz LJYRYKBICDFTLH-GFCCVEGCSA-N 0 0 303.362 0.977 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)C1(C)C ZINC000367744398 159354624 /nfs/dbraw/zinc/35/46/24/159354624.db2.gz ARRGWVNVICCFNC-LZQZFOIKSA-N 0 0 313.398 0.330 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOCC[C@H]2C)cc1C(N)=O ZINC000367754297 159354792 /nfs/dbraw/zinc/35/47/92/159354792.db2.gz OEUOFTIJGPYCIE-LLVKDONJSA-N 0 0 312.391 0.893 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC[C@@](F)(CO)C1)N1CCCC1=O ZINC000367862189 159360543 /nfs/dbraw/zinc/36/05/43/159360543.db2.gz HBOQCZNDHBRWKN-HIFRSBDPSA-N 0 0 300.374 0.956 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000368220606 159382680 /nfs/dbraw/zinc/38/26/80/159382680.db2.gz MCBUOGIVBKAEDF-CYBMUJFWSA-N 0 0 318.439 0.134 10 0 DCAERN CCOc1ncccc1CNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000368481505 159397117 /nfs/dbraw/zinc/39/71/17/159397117.db2.gz HICHRBNNNVODMP-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000371977559 159596053 /nfs/dbraw/zinc/59/60/53/159596053.db2.gz DRIUPPSGVMFYAK-BZPMIXESSA-N 0 0 319.423 0.752 10 0 DCAERN CO[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cnn(C)c1 ZINC000374220617 159723801 /nfs/dbraw/zinc/72/38/01/159723801.db2.gz WBYMICJBFSNGGV-TWJQMWNJSA-N 0 0 306.366 0.233 10 0 DCAERN O=C(CN1CSCC1=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375602731 159804359 /nfs/dbraw/zinc/80/43/59/159804359.db2.gz JMHNFQRLDNPDHJ-JTQLQIEISA-N 0 0 322.390 0.796 10 0 DCAERN C[C@@H](N1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1)C(F)(F)F ZINC000375640947 159806877 /nfs/dbraw/zinc/80/68/77/159806877.db2.gz CPNCYXFSOOMWHA-MFKMUULPSA-N 0 0 321.343 0.998 10 0 DCAERN COc1ccc(CNC(=O)N2CC[C@H](CC(N)=O)C2)cc1O ZINC000376632338 159868788 /nfs/dbraw/zinc/86/87/88/159868788.db2.gz LRSUCDRAJYYHGC-LLVKDONJSA-N 0 0 307.350 0.808 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCCCN2CCCCCC2=O)C1 ZINC000376814028 159878985 /nfs/dbraw/zinc/87/89/85/159878985.db2.gz IRLQZOXHCVIPKI-CYBMUJFWSA-N 0 0 324.425 0.686 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)s1 ZINC000407990669 160004090 /nfs/dbraw/zinc/00/40/90/160004090.db2.gz PTFKJPRXPCFOES-LLVKDONJSA-N 0 0 322.434 0.880 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCCc2c1cnn2C ZINC000407989946 160004890 /nfs/dbraw/zinc/00/48/90/160004890.db2.gz MDEAKUNFJAAKRA-WCQYABFASA-N 0 0 308.407 0.835 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)C(C)(C)S(C)(=O)=O)[C@@H]2C1 ZINC000407994642 160005902 /nfs/dbraw/zinc/00/59/02/160005902.db2.gz DFGGMODNHLXXSV-IJLUTSLNSA-N 0 0 319.423 0.605 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](CO)C2)C1 ZINC000408001353 160007757 /nfs/dbraw/zinc/00/77/57/160007757.db2.gz DWXUUFIYXABEMB-MJBXVCDLSA-N 0 0 312.410 0.491 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)nc(C)n1 ZINC000408015203 160011293 /nfs/dbraw/zinc/01/12/93/160011293.db2.gz AFSRAZNGGJXWSI-GHMZBOCLSA-N 0 0 314.411 0.537 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCN3CCCC3=O)C[C@@H]21 ZINC000408015859 160011774 /nfs/dbraw/zinc/01/17/74/160011774.db2.gz FVIDIMFNTIMEGM-UONOGXRCSA-N 0 0 324.425 0.113 10 0 DCAERN COCCCCS(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408015778 160012078 /nfs/dbraw/zinc/01/20/78/160012078.db2.gz FKNRNMDBTHLCTB-OLZOCXBDSA-N 0 0 306.428 0.148 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408016663 160012387 /nfs/dbraw/zinc/01/23/87/160012387.db2.gz MGFXTPMQSKKTGR-OLZOCXBDSA-N 0 0 312.414 0.016 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408017386 160012575 /nfs/dbraw/zinc/01/25/75/160012575.db2.gz RQYMVRPQQDYBHD-STQMWFEESA-N 0 0 305.444 0.368 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408022111 160013711 /nfs/dbraw/zinc/01/37/11/160013711.db2.gz RCXOBYGHMGUEHZ-KCJUWKMLSA-N 0 0 306.366 0.332 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000408021700 160013826 /nfs/dbraw/zinc/01/38/26/160013826.db2.gz RUMHGBCGANYLDJ-ZDUSSCGKSA-N 0 0 309.410 0.762 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408024476 160014411 /nfs/dbraw/zinc/01/44/11/160014411.db2.gz BRKOEHOFMAZYKU-NEPJUHHUSA-N 0 0 319.427 0.231 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000408029539 160015458 /nfs/dbraw/zinc/01/54/58/160015458.db2.gz CSZDWKHLZNAJTL-KOLCDFICSA-N 0 0 318.399 0.726 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(c2cnn(C)c(=O)c2Br)C1 ZINC000408031632 160016724 /nfs/dbraw/zinc/01/67/24/160016724.db2.gz WGQFCFLRQXPQLE-YUMQZZPRSA-N 0 0 318.171 0.129 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000408034773 160017310 /nfs/dbraw/zinc/01/73/10/160017310.db2.gz HJVQYJQMEWGLTE-AJNGGQMLSA-N 0 0 312.410 0.238 10 0 DCAERN COc1cc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ncn1 ZINC000408033468 160017886 /nfs/dbraw/zinc/01/78/86/160017886.db2.gz MIPODNGZILKMOX-MNOVXSKESA-N 0 0 310.329 0.261 10 0 DCAERN CCOC(=O)C1(O)CCN(C(=O)C2(O)CCSCC2)CC1 ZINC000408036064 160018872 /nfs/dbraw/zinc/01/88/72/160018872.db2.gz PYIYXGMRCYTHPX-UHFFFAOYSA-N 0 0 317.407 0.161 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044155 160021431 /nfs/dbraw/zinc/02/14/31/160021431.db2.gz TVCXVJGUPLZHAI-NEPJUHHUSA-N 0 0 319.365 0.117 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000408047217 160022763 /nfs/dbraw/zinc/02/27/63/160022763.db2.gz OMIWROFTJGPHCO-ZDUSSCGKSA-N 0 0 319.409 0.964 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 ZINC000408054157 160024292 /nfs/dbraw/zinc/02/42/92/160024292.db2.gz KNAPOQZJMJDXPB-RFQIPJPRSA-N 0 0 323.437 0.851 10 0 DCAERN Cc1cc[nH]c1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052659 160024313 /nfs/dbraw/zinc/02/43/13/160024313.db2.gz LTYGPYBTJJXBOZ-NEPJUHHUSA-N 0 0 309.341 0.735 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCCc3c2cnn3C)CCO1 ZINC000408059305 160025671 /nfs/dbraw/zinc/02/56/71/160025671.db2.gz GGKODDILDSYLMB-WCQYABFASA-N 0 0 322.365 0.381 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000408081153 160031687 /nfs/dbraw/zinc/03/16/87/160031687.db2.gz RDOIFFUZRPFUPM-RYUDHWBXSA-N 0 0 301.346 0.768 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000408085859 160032772 /nfs/dbraw/zinc/03/27/72/160032772.db2.gz DIFUOUUTRSFHKI-OSMZGAPFSA-N 0 0 307.394 0.418 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC(C)(C)CCCO)[C@@H](C)CO1 ZINC000408093769 160034236 /nfs/dbraw/zinc/03/42/36/160034236.db2.gz XEWBYJGEJFPXOU-RYUDHWBXSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cccnc2N2CCOCC2)C[C@H]1O ZINC000408093315 160034537 /nfs/dbraw/zinc/03/45/37/160034537.db2.gz AUKRIJLPPVVXKK-TZMCWYRMSA-N 0 0 305.378 0.761 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC000408097338 160035091 /nfs/dbraw/zinc/03/50/91/160035091.db2.gz KSYAKVDANLSXLS-ZDUSSCGKSA-N 0 0 320.418 0.996 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@@]2(C)CCOC2)cn1C ZINC000408097796 160035211 /nfs/dbraw/zinc/03/52/11/160035211.db2.gz BXTCUVYWRBCVKT-ZDUSSCGKSA-N 0 0 315.395 0.184 10 0 DCAERN C[C@@H]1CCN(C(=O)CSCC(=O)N2CCCCC2)C[C@@H]1O ZINC000408096253 160035216 /nfs/dbraw/zinc/03/52/16/160035216.db2.gz YIKGOVVEXABYBH-OLZOCXBDSA-N 0 0 314.451 0.961 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000408111801 160038213 /nfs/dbraw/zinc/03/82/13/160038213.db2.gz FVSAVGCCVZVOKL-LBPRGKRZSA-N 0 0 322.409 0.404 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000408111381 160038250 /nfs/dbraw/zinc/03/82/50/160038250.db2.gz ASNWGQQQJRANBK-NSHDSACASA-N 0 0 322.434 0.975 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000408112403 160039083 /nfs/dbraw/zinc/03/90/83/160039083.db2.gz KRIOCJMVVFCPII-LBPRGKRZSA-N 0 0 314.389 0.639 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408114862 160039396 /nfs/dbraw/zinc/03/93/96/160039396.db2.gz GPDNCTSRKVJBIU-NWDGAFQWSA-N 0 0 304.412 0.343 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@](F)(CO)C3)nc2n1 ZINC000408119457 160040202 /nfs/dbraw/zinc/04/02/02/160040202.db2.gz JBTIHKQMFXCONG-OAHLLOKOSA-N 0 0 321.356 0.607 10 0 DCAERN O=C(c1cnc2ccccn2c1=O)N1CCC[C@@](F)(CO)C1 ZINC000408121241 160041177 /nfs/dbraw/zinc/04/11/77/160041177.db2.gz LXSMVUADKUTTOS-HNNXBMFYSA-N 0 0 305.309 0.631 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000408129842 160043549 /nfs/dbraw/zinc/04/35/49/160043549.db2.gz RWAPNTKIIKMHFH-OLZOCXBDSA-N 0 0 309.410 0.618 10 0 DCAERN CC(C)n1nnnc1CN1CCN(C(=O)N(C)C)CC1(C)C ZINC000408133126 160044151 /nfs/dbraw/zinc/04/41/51/160044151.db2.gz NOJOGXAFOLCEPJ-UHFFFAOYSA-N 0 0 309.418 0.832 10 0 DCAERN CS(=O)(=O)CCC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408134300 160044204 /nfs/dbraw/zinc/04/42/04/160044204.db2.gz SVFOIWDZSUNCPF-LBPRGKRZSA-N 0 0 316.423 0.282 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000408132231 160044343 /nfs/dbraw/zinc/04/43/43/160044343.db2.gz JAPNQCPXXKCJTF-RYUDHWBXSA-N 0 0 301.412 0.838 10 0 DCAERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408140563 160045838 /nfs/dbraw/zinc/04/58/38/160045838.db2.gz KFMFPPPVWVPBOF-WDEREUQCSA-N 0 0 311.382 0.326 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408138501 160046235 /nfs/dbraw/zinc/04/62/35/160046235.db2.gz CJVJZZLYMNYTNV-IUCAKERBSA-N 0 0 307.316 0.593 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCCCCC1 ZINC000408148018 160047595 /nfs/dbraw/zinc/04/75/95/160047595.db2.gz FCGSEFJDZLLWIC-AWEZNQCLSA-N 0 0 309.410 0.906 10 0 DCAERN CN1CC[C@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@H]2C1 ZINC000408147272 160047894 /nfs/dbraw/zinc/04/78/94/160047894.db2.gz BSBRQKVBJVQXMT-RYUDHWBXSA-N 0 0 303.428 0.157 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCOC1 ZINC000408159719 160049973 /nfs/dbraw/zinc/04/99/73/160049973.db2.gz RSRRIIMUMJQUIB-LLVKDONJSA-N 0 0 310.375 0.520 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)C(=O)N1CCCC[C@H]1C ZINC000408162841 160050355 /nfs/dbraw/zinc/05/03/55/160050355.db2.gz ZWVQGWVDFAZJRP-LPWJVIDDSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1 ZINC000408164517 160051360 /nfs/dbraw/zinc/05/13/60/160051360.db2.gz IFAPBLDKWJGSMD-VXGBXAGGSA-N 0 0 309.410 0.666 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408172007 160052707 /nfs/dbraw/zinc/05/27/07/160052707.db2.gz QNFVYOQABCKHEP-MNOVXSKESA-N 0 0 321.443 0.117 10 0 DCAERN C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408183189 160054400 /nfs/dbraw/zinc/05/44/00/160054400.db2.gz PCQHCUXEFWPJKC-JHJVBQTASA-N 0 0 318.439 0.732 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000408184252 160055350 /nfs/dbraw/zinc/05/53/50/160055350.db2.gz AKPMRWBZIMDVQI-VXGBXAGGSA-N 0 0 316.423 0.628 10 0 DCAERN CC(C)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O ZINC000408185315 160055510 /nfs/dbraw/zinc/05/55/10/160055510.db2.gz CAWZPAYRQYTRLX-IUODEOHRSA-N 0 0 320.393 0.577 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC([C@@H](C)O)CC1 ZINC000408187965 160056103 /nfs/dbraw/zinc/05/61/03/160056103.db2.gz BMVSURLJXICKIS-ZYHUDNBSSA-N 0 0 300.424 0.917 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000408187844 160056218 /nfs/dbraw/zinc/05/62/18/160056218.db2.gz QHUOGHNPSBGCDN-LBPRGKRZSA-N 0 0 304.412 0.295 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000408192720 160056753 /nfs/dbraw/zinc/05/67/53/160056753.db2.gz OKPJRRZKHFUNKT-XJFOESAGSA-N 0 0 320.455 0.271 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000408196930 160057616 /nfs/dbraw/zinc/05/76/16/160057616.db2.gz GBLNXEZNFLNHAL-RUXDESIVSA-N 0 0 310.394 0.509 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC000408199436 160058362 /nfs/dbraw/zinc/05/83/62/160058362.db2.gz SDEDMPYSGCUGJD-UHFFFAOYSA-N 0 0 312.395 0.201 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)C1CCCC1 ZINC000408198481 160058586 /nfs/dbraw/zinc/05/85/86/160058586.db2.gz SNSRPJPRTRULLB-MFKMUULPSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(=O)N1 ZINC000408205578 160060017 /nfs/dbraw/zinc/06/00/17/160060017.db2.gz QYWLTOYBFANULO-BDAKNGLRSA-N 0 0 303.318 0.985 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408207687 160060343 /nfs/dbraw/zinc/06/03/43/160060343.db2.gz XMODOIUOKNQKCE-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000408208348 160061146 /nfs/dbraw/zinc/06/11/46/160061146.db2.gz VZUVMXLWYAQMPB-VXGBXAGGSA-N 0 0 305.444 0.150 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCS(=O)(=O)C[C@H]2C)cnn1C ZINC000408213077 160061586 /nfs/dbraw/zinc/06/15/86/160061586.db2.gz CKFSRKWHVHSHIK-ZJUUUORDSA-N 0 0 314.411 0.618 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408213377 160061811 /nfs/dbraw/zinc/06/18/11/160061811.db2.gz AVAYMBLCSOZOEO-SNVBAGLBSA-N 0 0 313.379 0.624 10 0 DCAERN Cc1cnc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(O)c1 ZINC000408223369 160063128 /nfs/dbraw/zinc/06/31/28/160063128.db2.gz ISTJBYURFWWRTA-QWHCGFSZSA-N 0 0 305.378 0.888 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000408225023 160064078 /nfs/dbraw/zinc/06/40/78/160064078.db2.gz IXUFMWHVEGPAHN-AGIUHOORSA-N 0 0 309.410 0.666 10 0 DCAERN CN1CCc2ncnc(N3CCC[C@H](S(C)(=O)=O)C3)c2C1 ZINC000408232807 160065192 /nfs/dbraw/zinc/06/51/92/160065192.db2.gz WDBRFTFDUJGKJT-NSHDSACASA-N 0 0 310.423 0.478 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1CCC[C@H]1O ZINC000408234855 160065336 /nfs/dbraw/zinc/06/53/36/160065336.db2.gz IAIOZVDPYDJAOH-WUHRBBMRSA-N 0 0 308.378 0.439 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@H](C(N)=O)O1 ZINC000408233539 160065355 /nfs/dbraw/zinc/06/53/55/160065355.db2.gz VUBYIGPCFDSHSL-JHJVBQTASA-N 0 0 311.426 0.598 10 0 DCAERN CN1CCc2ncnc(N3CCC[C@@H](S(C)(=O)=O)C3)c2C1 ZINC000408232802 160065377 /nfs/dbraw/zinc/06/53/77/160065377.db2.gz WDBRFTFDUJGKJT-LLVKDONJSA-N 0 0 310.423 0.478 10 0 DCAERN C[C@H]1[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)C1(F)F ZINC000408232575 160065729 /nfs/dbraw/zinc/06/57/29/160065729.db2.gz UTWOXYVYBUPDNQ-CABZTGNLSA-N 0 0 301.337 0.310 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N[C@@H]2CCCNC2=O)c1C ZINC000408236958 160066201 /nfs/dbraw/zinc/06/62/01/160066201.db2.gz QSIGKFLWIHVLNM-SNVBAGLBSA-N 0 0 300.384 0.077 10 0 DCAERN C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCS1(=O)=O ZINC000408238901 160067074 /nfs/dbraw/zinc/06/70/74/160067074.db2.gz ZAAKHHWOHUWWCW-LBPRGKRZSA-N 0 0 317.455 0.689 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccnn2C)C1 ZINC000408241317 160067584 /nfs/dbraw/zinc/06/75/84/160067584.db2.gz VMRADMZGWFTMTQ-SNVBAGLBSA-N 0 0 300.384 0.099 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000408245628 160068300 /nfs/dbraw/zinc/06/83/00/160068300.db2.gz HGYFVYSZBAWQPJ-KRWDZBQOSA-N 0 0 315.373 0.789 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408251665 160069752 /nfs/dbraw/zinc/06/97/52/160069752.db2.gz FEHLKRUNKCXQQH-HNNXBMFYSA-N 0 0 310.398 0.213 10 0 DCAERN CSC1(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)CCOCC1 ZINC000408252591 160069797 /nfs/dbraw/zinc/06/97/97/160069797.db2.gz SVNHAOBDTAHTPS-LLVKDONJSA-N 0 0 315.439 0.819 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)C1(F)F ZINC000408271815 160073537 /nfs/dbraw/zinc/07/35/37/160073537.db2.gz ZYCNQCINJXTRRM-GMTAPVOTSA-N 0 0 322.377 0.914 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000408273618 160073745 /nfs/dbraw/zinc/07/37/45/160073745.db2.gz FILUWTWWRJVSKU-SRVKXCTJSA-N 0 0 304.412 0.471 10 0 DCAERN CC1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CC1 ZINC000408276524 160074641 /nfs/dbraw/zinc/07/46/41/160074641.db2.gz JDYJGKWUEJYDOW-UHFFFAOYSA-N 0 0 316.354 0.460 10 0 DCAERN CN(C)c1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000408284274 160075589 /nfs/dbraw/zinc/07/55/89/160075589.db2.gz VXSWNYJUCYNAPK-GFCCVEGCSA-N 0 0 324.406 0.151 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cncc(N2CCOCC2)c1 ZINC000408288766 160076892 /nfs/dbraw/zinc/07/68/92/160076892.db2.gz AAGCSOZZUZYTGJ-GFCCVEGCSA-N 0 0 318.377 0.269 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000408292658 160077588 /nfs/dbraw/zinc/07/75/88/160077588.db2.gz ULXFZEZWMLTTQB-LLVKDONJSA-N 0 0 317.345 0.149 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000408290547 160077771 /nfs/dbraw/zinc/07/77/71/160077771.db2.gz QBJUPFZSCNZYFP-LLVKDONJSA-N 0 0 300.384 0.192 10 0 DCAERN Cc1[nH]nc2nc(C)cc(C(=O)N3CCCNC(=O)[C@H]3C)c12 ZINC000408295193 160078237 /nfs/dbraw/zinc/07/82/37/160078237.db2.gz SGUSQBQUYLLHNJ-SNVBAGLBSA-N 0 0 301.350 0.925 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)[C@@](C)(O)C(C)C)CC2)n1 ZINC000408301907 160080117 /nfs/dbraw/zinc/08/01/17/160080117.db2.gz WFWIJGDUTXYXDG-ABAIWWIYSA-N 0 0 310.398 0.990 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408304660 160080530 /nfs/dbraw/zinc/08/05/30/160080530.db2.gz BYWZSQAXFQVGSE-JQWIXIFHSA-N 0 0 308.300 0.913 10 0 DCAERN C[C@@H](CCNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)[S@@](C)=O ZINC000408305113 160080624 /nfs/dbraw/zinc/08/06/24/160080624.db2.gz HEGHPOIFTMZOKR-QOQCBWNOSA-N 0 0 318.439 0.733 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H]3CCSC3)C2)n[nH]1 ZINC000408305374 160080709 /nfs/dbraw/zinc/08/07/09/160080709.db2.gz JJCFXUNHWKEGRY-ZJUUUORDSA-N 0 0 308.407 0.968 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1=O ZINC000408305551 160081319 /nfs/dbraw/zinc/08/13/19/160081319.db2.gz KVSRMIDWQDFKCA-GFCCVEGCSA-N 0 0 304.268 0.915 10 0 DCAERN CC(C)Cc1nc(=N[C@H]2CCCN(S(C)(=O)=O)C2)s[n-]1 ZINC000408311310 160082185 /nfs/dbraw/zinc/08/21/85/160082185.db2.gz YSKKIQVTXSMYTK-JTQLQIEISA-N 0 0 318.468 0.994 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408308281 160082394 /nfs/dbraw/zinc/08/23/94/160082394.db2.gz VDQVQROJUMNHCP-JTQLQIEISA-N 0 0 317.329 0.725 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000408317239 160084159 /nfs/dbraw/zinc/08/41/59/160084159.db2.gz GEEMMTGCRAVIPX-AZKPJATDSA-N 0 0 312.410 0.713 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000408326335 160085239 /nfs/dbraw/zinc/08/52/39/160085239.db2.gz LHHUVZFTJZUDEO-WOPDTQHZSA-N 0 0 304.412 0.342 10 0 DCAERN CC[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000408326219 160085727 /nfs/dbraw/zinc/08/57/27/160085727.db2.gz KHPHGWLZCUZMBJ-BXUZGUMPSA-N 0 0 319.423 0.606 10 0 DCAERN CCS(=O)(=O)NC1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000408332569 160086936 /nfs/dbraw/zinc/08/69/36/160086936.db2.gz VEGAOEHFQXAKQR-UHFFFAOYSA-N 0 0 310.441 0.130 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1 ZINC000408334519 160087099 /nfs/dbraw/zinc/08/70/99/160087099.db2.gz OWFJJDRUUVVDRB-LLVKDONJSA-N 0 0 313.441 0.252 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC[C@@H]1C(C)(C)O ZINC000408337746 160087331 /nfs/dbraw/zinc/08/73/31/160087331.db2.gz WMXJNJXGVKCZNA-IJLUTSLNSA-N 0 0 319.423 0.893 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@]2(C)CCCO2)C1=O ZINC000408343387 160088998 /nfs/dbraw/zinc/08/89/98/160088998.db2.gz PFXVEJYSGYVNIC-NHYWBVRUSA-N 0 0 306.366 0.601 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000408348197 160089681 /nfs/dbraw/zinc/08/96/81/160089681.db2.gz FXGQUAZEFCEYAI-RYUDHWBXSA-N 0 0 310.398 0.165 10 0 DCAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@@H](CO)C1 ZINC000408351229 160090403 /nfs/dbraw/zinc/09/04/03/160090403.db2.gz ZBMBESVBDVXEOO-MCIONIFRSA-N 0 0 300.399 0.983 10 0 DCAERN CCN(CC(C)(C)O)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000408350811 160090557 /nfs/dbraw/zinc/09/05/57/160090557.db2.gz WVXLRAAPXWDTPA-LLVKDONJSA-N 0 0 303.424 0.821 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408352064 160090577 /nfs/dbraw/zinc/09/05/77/160090577.db2.gz LVIUGZXGJGLOHR-ZIAGYGMSSA-N 0 0 312.410 0.348 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H]1OC ZINC000408359504 160091489 /nfs/dbraw/zinc/09/14/89/160091489.db2.gz UNDMVULUWZUNMN-ZYUZMQFOSA-N 0 0 324.299 0.316 10 0 DCAERN CCC1(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000408360502 160092114 /nfs/dbraw/zinc/09/21/14/160092114.db2.gz VDRXYYMSMQKLCS-AWEZNQCLSA-N 0 0 323.437 0.568 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N(C)CC1(O)CCCCCC1 ZINC000408376095 160095363 /nfs/dbraw/zinc/09/53/63/160095363.db2.gz MJNBNDDIXIZEMV-UHFFFAOYSA-N 0 0 306.428 0.422 10 0 DCAERN O=C(Nc1ccc2c(c1)NC(=O)CS2)N1CCO[C@@H](CO)C1 ZINC000408379564 160095698 /nfs/dbraw/zinc/09/56/98/160095698.db2.gz MDZDETJBDLLRIN-SNVBAGLBSA-N 0 0 323.374 0.956 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)N(C)CC(C)C)n1 ZINC000408386753 160097306 /nfs/dbraw/zinc/09/73/06/160097306.db2.gz RRRZXNFDQWHNTQ-WDEREUQCSA-N 0 0 318.399 0.318 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000408388499 160097549 /nfs/dbraw/zinc/09/75/49/160097549.db2.gz DBFAPZUXIUQQLR-LSDHHAIUSA-N 0 0 320.393 0.671 10 0 DCAERN CC(C)[C@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408391312 160098105 /nfs/dbraw/zinc/09/81/05/160098105.db2.gz CEJMOYJQFAWCJU-QWHCGFSZSA-N 0 0 302.440 0.610 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCCCNC1=O ZINC000408388582 160098306 /nfs/dbraw/zinc/09/83/06/160098306.db2.gz VYNJQOPKARKFJC-QMMMGPOBSA-N 0 0 306.775 0.021 10 0 DCAERN C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)N1CCCC[C@H]1C ZINC000408390161 160098320 /nfs/dbraw/zinc/09/83/20/160098320.db2.gz RMFDNYUJPPFGSD-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@]1(CNC(=O)N2CCS(=O)(=O)CC2)CCCC[C@H]1O ZINC000408392050 160099058 /nfs/dbraw/zinc/09/90/58/160099058.db2.gz BHDQRISFLDZFID-DGCLKSJQSA-N 0 0 304.412 0.368 10 0 DCAERN CN(C)C(=O)c1cc(NC(=O)N2C[C@@H](O)[C@H](O)C2)ccc1F ZINC000408391982 160099082 /nfs/dbraw/zinc/09/90/82/160099082.db2.gz APMQALXWWNDDNS-VXGBXAGGSA-N 0 0 311.313 0.097 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c1=O ZINC000408392663 160099093 /nfs/dbraw/zinc/09/90/93/160099093.db2.gz IVMOELBICWOLNZ-ZDUSSCGKSA-N 0 0 315.377 0.546 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cncc(F)c1 ZINC000408392346 160099114 /nfs/dbraw/zinc/09/91/14/160099114.db2.gz HTGLUVXLQPRBSL-NSHDSACASA-N 0 0 311.342 0.934 10 0 DCAERN O=C(Nc1ccc(N2CCCC2=O)cc1)N1C[C@@H](O)[C@H](O)C1 ZINC000408394113 160099158 /nfs/dbraw/zinc/09/91/58/160099158.db2.gz HVCXQVWJGNXNEO-CHWSQXEVSA-N 0 0 305.334 0.383 10 0 DCAERN O=C(NCC1(CCO)CCCCC1)N1CCS(=O)(=O)CC1 ZINC000408392014 160099247 /nfs/dbraw/zinc/09/92/47/160099247.db2.gz BCXNNXYCNDTQRE-UHFFFAOYSA-N 0 0 318.439 0.759 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CCCCO3)CCO2)n1 ZINC000408402504 160101039 /nfs/dbraw/zinc/10/10/39/160101039.db2.gz NRPWTGPVHGUVGW-ZIAGYGMSSA-N 0 0 308.382 0.691 10 0 DCAERN CC[C@@H]1CN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CCO1 ZINC000408411529 160102642 /nfs/dbraw/zinc/10/26/42/160102642.db2.gz IHKRBEBIFIETGZ-GFCCVEGCSA-N 0 0 319.427 0.088 10 0 DCAERN CC1=C(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC1 ZINC000408412406 160102796 /nfs/dbraw/zinc/10/27/96/160102796.db2.gz AZDUKYFAWSJTQT-UHFFFAOYSA-N 0 0 321.421 0.490 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000408428297 160106089 /nfs/dbraw/zinc/10/60/89/160106089.db2.gz UIIXGAWQVXWAFN-WCQYABFASA-N 0 0 324.425 0.553 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000408430355 160106758 /nfs/dbraw/zinc/10/67/58/160106758.db2.gz SPIPSQNBPSCGCM-ZDUSSCGKSA-N 0 0 309.410 0.905 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H]1C ZINC000408433118 160106922 /nfs/dbraw/zinc/10/69/22/160106922.db2.gz KKRYYVQNUWLJKP-RDBSUJKOSA-N 0 0 319.471 0.493 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1CC(C)(C)O ZINC000408439024 160108299 /nfs/dbraw/zinc/10/82/99/160108299.db2.gz MYPOQBHNSWQYES-VIFPVBQESA-N 0 0 318.361 0.656 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@@]2(C)CCCC[C@H]2O)N(C(C)=O)C1 ZINC000408443487 160109112 /nfs/dbraw/zinc/10/91/12/160109112.db2.gz OCDXVSMMLNSGSD-DSJMHWKBSA-N 0 0 312.410 0.680 10 0 DCAERN C[C@H]1CCN(C(=O)CN2CCc3ccccc3C2=O)C[C@@H]1O ZINC000408448631 160110025 /nfs/dbraw/zinc/11/00/25/160110025.db2.gz YMZJIWFQYNEVDB-WFASDCNBSA-N 0 0 302.374 0.914 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000408452619 160110724 /nfs/dbraw/zinc/11/07/24/160110724.db2.gz NSIMWQQKTGBHDU-QWRGUYRKSA-N 0 0 305.444 0.761 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)[C@@H]1OC ZINC000408461472 160113629 /nfs/dbraw/zinc/11/36/29/160113629.db2.gz VKGUWQUGETWYMY-OFTGVCEQSA-N 0 0 307.412 0.666 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000408460713 160113710 /nfs/dbraw/zinc/11/37/10/160113710.db2.gz QOMPORMKAMTZHF-QWHCGFSZSA-N 0 0 313.423 0.466 10 0 DCAERN Cc1ccccc1SCC(=O)NCCCS(N)(=O)=O ZINC000048749115 286889908 /nfs/dbraw/zinc/88/99/08/286889908.db2.gz JXCXMQVZTGRPLX-UHFFFAOYSA-N 0 0 302.421 0.882 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)CC(=O)OC)cc1 ZINC000070302988 286909899 /nfs/dbraw/zinc/90/98/99/286909899.db2.gz FPICDRRUZYEKRQ-UHFFFAOYSA-N 0 0 315.347 0.196 10 0 DCAERN Cc1c([C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)cnn1C ZINC000075835819 286918796 /nfs/dbraw/zinc/91/87/96/286918796.db2.gz AVLSRPZAZIVNLT-MRVPVSSYSA-N 0 0 307.354 0.236 10 0 DCAERN CC[C@](C)(O)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000087014509 286930855 /nfs/dbraw/zinc/93/08/55/286930855.db2.gz NLSKIKMSJJDJKP-AWEZNQCLSA-N 0 0 315.391 0.841 10 0 DCAERN CC(C)S(=O)(=O)CCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000120144512 286950949 /nfs/dbraw/zinc/95/09/49/286950949.db2.gz XETFRLJKMUFLBZ-CQSZACIVSA-N 0 0 315.439 0.797 10 0 DCAERN C[C@]1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCO1 ZINC000123201723 286959650 /nfs/dbraw/zinc/95/96/50/286959650.db2.gz UQENCHNDQAALEZ-MRXNPFEDSA-N 0 0 317.345 0.375 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)cn1C ZINC000121790343 286956220 /nfs/dbraw/zinc/95/62/20/286956220.db2.gz QGNNPDKDFFLOJZ-VIFPVBQESA-N 0 0 324.410 0.696 10 0 DCAERN Cc1nc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c(=O)[nH]c1C ZINC000126919026 286974480 /nfs/dbraw/zinc/97/44/80/286974480.db2.gz FGLAMGCQOPQPAM-JTQLQIEISA-N 0 0 306.366 0.516 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000127385832 286977292 /nfs/dbraw/zinc/97/72/92/286977292.db2.gz DAFDPVNIOMVZOM-LBPRGKRZSA-N 0 0 320.393 0.678 10 0 DCAERN O=C(Cc1[nH]c(O)nc1O)Nc1[nH]nc2c1cccc2Cl ZINC000129062098 286986107 /nfs/dbraw/zinc/98/61/07/286986107.db2.gz WDIPGZVNZLRZDK-ZETCQYMHSA-N 0 0 307.697 0.753 10 0 DCAERN COC(=O)C1(N(C)C[C@H](O)CN2CCOCC2)CCCC1 ZINC000133486677 287011068 /nfs/dbraw/zinc/01/10/68/287011068.db2.gz XCJSFJQMZQMZSD-ZDUSSCGKSA-N 0 0 300.399 0.097 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCC[C@](C)(O)C3)nc2n1 ZINC000134086883 287014979 /nfs/dbraw/zinc/01/49/79/287014979.db2.gz SDERODFNVSFCTR-HNNXBMFYSA-N 0 0 303.366 0.657 10 0 DCAERN Nc1ccc2c(ncnc2N2CCN(c3cccnn3)CC2)n1 ZINC000134766824 287018291 /nfs/dbraw/zinc/01/82/91/287018291.db2.gz WSWXNSQHHMJADM-UHFFFAOYSA-N 0 0 308.349 0.724 10 0 DCAERN CCC(C)(C)NC(=O)CN1CCC([C@@H](O)C(=O)OC)CC1 ZINC000135338206 287021352 /nfs/dbraw/zinc/02/13/52/287021352.db2.gz DEXYSBNKYOHOBF-CYBMUJFWSA-N 0 0 300.399 0.537 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(-c2cccnc2)on1 ZINC000152152195 287039001 /nfs/dbraw/zinc/03/90/01/287039001.db2.gz RHEQIWQEPCVKJS-VIFPVBQESA-N 0 0 300.274 0.272 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1Cc1csc(CC(=O)NC)n1 ZINC000152630106 287043046 /nfs/dbraw/zinc/04/30/46/287043046.db2.gz BMFUPJBSPPAPGC-LLVKDONJSA-N 0 0 310.423 0.532 10 0 DCAERN CC[C@@H]1CN(CCN2C(=O)CCC2=O)CCN1CC(F)F ZINC000153372272 287049618 /nfs/dbraw/zinc/04/96/18/287049618.db2.gz IQXGGPSFQQQOME-LLVKDONJSA-N 0 0 303.353 0.797 10 0 DCAERN O=C([C@H]1CSCCS1)N1CC[C@@H](N2CCOCC2)C1 ZINC000177347423 287054316 /nfs/dbraw/zinc/05/43/16/287054316.db2.gz WSEMXJZDCBIHFW-VXGBXAGGSA-N 0 0 302.465 0.768 10 0 DCAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](O)C1 ZINC000177368904 287054557 /nfs/dbraw/zinc/05/45/57/287054557.db2.gz HJNHIYFOQCLJES-JTQLQIEISA-N 0 0 303.767 0.707 10 0 DCAERN Cn1c2cccc(Cl)c2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000185832141 287057131 /nfs/dbraw/zinc/05/71/31/287057131.db2.gz FGXWDDGCMVOGGG-ZETCQYMHSA-N 0 0 321.724 0.763 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000245443211 287069226 /nfs/dbraw/zinc/06/92/26/287069226.db2.gz WYJCVPDYTGFVQO-KWQFWETISA-N 0 0 311.304 0.608 10 0 DCAERN C[C@H](CCO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)CCO ZINC000245809216 287073510 /nfs/dbraw/zinc/07/35/10/287073510.db2.gz QNTVTMCMZUHLRM-LPWJVIDDSA-N 0 0 300.399 0.177 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCn2cccn2)[C@@H](C)CO1 ZINC000246692305 287086655 /nfs/dbraw/zinc/08/66/55/287086655.db2.gz YWEXDTZGXMGMQH-NWDGAFQWSA-N 0 0 302.400 0.169 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000247015533 287090271 /nfs/dbraw/zinc/09/02/71/287090271.db2.gz JEQMAYCYCQLMPP-JHJVBQTASA-N 0 0 309.410 0.794 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247220961 287092011 /nfs/dbraw/zinc/09/20/11/287092011.db2.gz VLXMTKDZDPZSJK-NWDGAFQWSA-N 0 0 303.428 0.011 10 0 DCAERN COCCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1C ZINC000248506715 287098049 /nfs/dbraw/zinc/09/80/49/287098049.db2.gz WYDPHBQCDLECJI-HTGLOVNISA-N 0 0 305.444 0.116 10 0 DCAERN CCC[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000248534586 287098236 /nfs/dbraw/zinc/09/82/36/287098236.db2.gz GFUBJICOGPMIHT-YNEHKIRRSA-N 0 0 318.439 0.732 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000249459878 287111259 /nfs/dbraw/zinc/11/12/59/287111259.db2.gz GMRFUCZMZGJYHG-JBLDHEPKSA-N 0 0 320.397 0.499 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@H]1C(=O)NCC[C@@H]1C)c1ccccc1 ZINC000249589312 287115472 /nfs/dbraw/zinc/11/54/72/287115472.db2.gz OVNMBZDTJHMOKA-SGIREYDYSA-N 0 0 317.389 0.895 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N[C@H]1C(=O)NCC[C@H]1C)C(C)C ZINC000249606538 287116055 /nfs/dbraw/zinc/11/60/55/287116055.db2.gz RIEGXJRQDGUXNS-KWCYVHTRSA-N 0 0 311.426 0.814 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C[C@@H](C)O1 ZINC000255929863 287127177 /nfs/dbraw/zinc/12/71/77/287127177.db2.gz OQGUFRIZTZIRKJ-FDYHWXHSSA-N 0 0 308.378 0.797 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000187027309 287172860 /nfs/dbraw/zinc/17/28/60/287172860.db2.gz MCUYVULIVMETBA-RDBSUJKOSA-N 0 0 309.410 0.319 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000358315687 287207299 /nfs/dbraw/zinc/20/72/99/287207299.db2.gz XFZREFFJSFSJIJ-KBPBESRZSA-N 0 0 306.362 0.998 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)c2nc(C)c(C)nc2C)C1 ZINC000375119500 287227452 /nfs/dbraw/zinc/22/74/52/287227452.db2.gz DNOBNEMNUGRMFV-NSHDSACASA-N 0 0 312.395 0.166 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC[C@]2(C)CO)n1 ZINC000525899290 411866255 /nfs/dbraw/zinc/86/62/55/411866255.db2.gz KEUFYPUQZZOZQW-CQSZACIVSA-N 0 0 309.370 0.345 10 0 DCAERN C[C@H]1COCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000267026925 415141346 /nfs/dbraw/zinc/14/13/46/415141346.db2.gz DBWYGIIUSBTDPD-QFYYESIMSA-N 0 0 317.345 0.602 10 0 DCAERN Cc1cn2cc(NC(=O)N3CCN4C(=O)NC[C@H]4C3)ccc2n1 ZINC000268222793 415180219 /nfs/dbraw/zinc/18/02/19/415180219.db2.gz MHJQAAALGJGNMY-LBPRGKRZSA-N 0 0 314.349 0.884 10 0 DCAERN C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCCO1 ZINC000027905117 415174649 /nfs/dbraw/zinc/17/46/49/415174649.db2.gz SMHNJYYEXWCJOC-WPRPVWTQSA-N 0 0 318.420 0.622 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)cn12 ZINC000268329479 415195030 /nfs/dbraw/zinc/19/50/30/415195030.db2.gz DWMDJAUIKKXYKJ-UHFFFAOYSA-N 0 0 322.390 0.687 10 0 DCAERN NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000268258079 415181754 /nfs/dbraw/zinc/18/17/54/415181754.db2.gz PSDYTGPIPXPRLJ-NSHDSACASA-N 0 0 317.393 0.851 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000045576394 415247073 /nfs/dbraw/zinc/24/70/73/415247073.db2.gz VOCWJGPZDDOLSC-UHFFFAOYSA-N 0 0 300.403 0.457 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000046331517 415259460 /nfs/dbraw/zinc/25/94/60/415259460.db2.gz QYWCNHIEYNHVBU-UONOGXRCSA-N 0 0 303.362 0.879 10 0 DCAERN O=C1[C@H]2COCCN2C(=O)N1[C@H]1CCN(c2ccccc2)C1 ZINC000272120735 415281278 /nfs/dbraw/zinc/28/12/78/415281278.db2.gz SENVPSMTTCGGSZ-UONOGXRCSA-N 0 0 301.346 0.928 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCCCNC(N)=O ZINC000063705626 415352321 /nfs/dbraw/zinc/35/23/21/415352321.db2.gz SCBBXZWBCNRKBV-GFCCVEGCSA-N 0 0 312.414 0.684 10 0 DCAERN CSc1ccc(CNC(=O)CCNS(C)(=O)=O)cc1 ZINC000049094526 415305387 /nfs/dbraw/zinc/30/53/87/415305387.db2.gz ATMXLAFBUSIYMQ-UHFFFAOYSA-N 0 0 302.421 0.964 10 0 DCAERN Cc1nnc(N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)o1 ZINC000343036100 415414896 /nfs/dbraw/zinc/41/48/96/415414896.db2.gz VEFMYRGMSANUMF-VIFPVBQESA-N 0 0 304.310 0.995 10 0 DCAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)NC(CO)CO ZINC000074055082 415427370 /nfs/dbraw/zinc/42/73/70/415427370.db2.gz FXCLAZQJFPWRIM-UHFFFAOYSA-N 0 0 323.324 0.676 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)N(C)CC(=O)NC(C)(C)C)CC1 ZINC000066695551 415365937 /nfs/dbraw/zinc/36/59/37/415365937.db2.gz PJAVIOHNDFEIED-ZDUSSCGKSA-N 0 0 312.458 0.386 10 0 DCAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000066918959 415368570 /nfs/dbraw/zinc/36/85/70/415368570.db2.gz LZHOIICFSPKYQS-GFCCVEGCSA-N 0 0 304.412 0.992 10 0 DCAERN O=C(NCCC1CC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275525738 415375349 /nfs/dbraw/zinc/37/53/49/415375349.db2.gz CMVREPRFYMQAFV-UHFFFAOYSA-N 0 0 315.381 0.756 10 0 DCAERN COc1ccc([C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)cc1F ZINC000067839223 415390106 /nfs/dbraw/zinc/39/01/06/415390106.db2.gz JPJSLCXQNIZTSH-IUCAKERBSA-N 0 0 318.370 0.949 10 0 DCAERN CC[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C(=O)OC ZINC000084410784 415494653 /nfs/dbraw/zinc/49/46/53/415494653.db2.gz OUDKELBRWNKXLJ-LLVKDONJSA-N 0 0 314.288 0.762 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)CCO1 ZINC000332869303 415499021 /nfs/dbraw/zinc/49/90/21/415499021.db2.gz AHOHPKWNXJRHOW-KGYLQXTDSA-N 0 0 316.423 0.627 10 0 DCAERN Cc1cc(C(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cnn1 ZINC000276139338 415438500 /nfs/dbraw/zinc/43/85/00/415438500.db2.gz ANEQOQBZFUUEKH-OAHLLOKOSA-N 0 0 304.394 0.968 10 0 DCAERN CCN1CCn2cc(C(=O)N3CCC4(CC3)OCCO4)nc2C1 ZINC000075524179 415445248 /nfs/dbraw/zinc/44/52/48/415445248.db2.gz GURPPMLODVGPSK-UHFFFAOYSA-N 0 0 320.393 0.698 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)CN1CCOCC1 ZINC000076281332 415457915 /nfs/dbraw/zinc/45/79/15/415457915.db2.gz FBQNLGQKSUYDGS-AWEZNQCLSA-N 0 0 319.405 0.562 10 0 DCAERN C[C@H]1C[C@H](CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)CCO1 ZINC000332784109 415473161 /nfs/dbraw/zinc/47/31/61/415473161.db2.gz MVNUCABGAPISEP-QNWHQSFQSA-N 0 0 309.370 0.332 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)C[C@@H]21 ZINC000332946448 415512965 /nfs/dbraw/zinc/51/29/65/415512965.db2.gz ZEKXTDKJLFAVEM-KBPBESRZSA-N 0 0 319.409 0.444 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000332989833 415524727 /nfs/dbraw/zinc/52/47/27/415524727.db2.gz JEKWGMHCZQNTLS-DGCLKSJQSA-N 0 0 318.377 0.770 10 0 DCAERN O=C([O-])[C@@H]1CN(Cc2ccc(Br)nc2)CC[NH2+]1 ZINC000095078074 415547942 /nfs/dbraw/zinc/54/79/42/415547942.db2.gz LMZHPPYMGKTBQL-VIFPVBQESA-N 0 0 300.156 0.703 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCC(n2cncn2)CC1 ZINC000104346925 415624196 /nfs/dbraw/zinc/62/41/96/415624196.db2.gz LWYCTDVCKWGVHQ-UHFFFAOYSA-N 0 0 309.370 0.920 10 0 DCAERN CO[C@H]1C[C@H](C(=O)Nc2c(C)noc2C)N(S(C)(=O)=O)C1 ZINC000333378767 415629702 /nfs/dbraw/zinc/62/97/02/415629702.db2.gz AWQZQRRCPKBFTR-VHSXEESVSA-N 0 0 317.367 0.279 10 0 DCAERN Cc1csc2c1ncnc2N1CCN2CCN(C)C(=O)[C@H]2C1 ZINC000106275685 415642150 /nfs/dbraw/zinc/64/21/50/415642150.db2.gz NIMVYARNODVFAO-LLVKDONJSA-N 0 0 317.418 0.962 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1Cc1nnc2n1CCOC2 ZINC000333204720 415583019 /nfs/dbraw/zinc/58/30/19/415583019.db2.gz AHSOAYVTGRYTON-LBPRGKRZSA-N 0 0 307.398 0.641 10 0 DCAERN COCCN1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1=O ZINC000333231437 415588860 /nfs/dbraw/zinc/58/88/60/415588860.db2.gz YILOIYISVOKEMY-GRYCIOLGSA-N 0 0 302.396 0.253 10 0 DCAERN CC1(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000333475076 415661653 /nfs/dbraw/zinc/66/16/53/415661653.db2.gz WXZVTWMKTLVKPF-LBPRGKRZSA-N 0 0 316.423 0.440 10 0 DCAERN CC(C)[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000333488073 415663990 /nfs/dbraw/zinc/66/39/90/415663990.db2.gz CCPCKLVLXDZIJL-HZSPNIEDSA-N 0 0 308.426 0.637 10 0 DCAERN COC[C@H]1C[C@H](OC)CN1c1ncc(S(N)(=O)=O)s1 ZINC000343700409 415689347 /nfs/dbraw/zinc/68/93/47/415689347.db2.gz CVIUXFKIYKDDFJ-SFYZADRCSA-N 0 0 307.397 0.031 10 0 DCAERN COCCN1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1C ZINC000111228041 415693310 /nfs/dbraw/zinc/69/33/10/415693310.db2.gz RMKAUUBSPNJYRG-NWDGAFQWSA-N 0 0 323.359 0.802 10 0 DCAERN Cc1ccncc1S(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000333701014 415718933 /nfs/dbraw/zinc/71/89/33/415718933.db2.gz OBUCPCTZJFQVAQ-GFCCVEGCSA-N 0 0 309.391 0.870 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)NC[C@H](O)C2CC2)C1 ZINC000333722600 415725021 /nfs/dbraw/zinc/72/50/21/415725021.db2.gz ODYWHLIFNVDJHB-STQMWFEESA-N 0 0 307.398 0.459 10 0 DCAERN CCC(=O)N1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000333678993 415710697 /nfs/dbraw/zinc/71/06/97/415710697.db2.gz DWZKPZNYLMIHBZ-GFCCVEGCSA-N 0 0 305.382 0.346 10 0 DCAERN CCOc1ccnc(N2CCN(CC[C@H]3CCOC3=O)CC2)n1 ZINC000120483095 415769055 /nfs/dbraw/zinc/76/90/55/415769055.db2.gz AUANGNGKUYQGGG-ZDUSSCGKSA-N 0 0 320.393 0.951 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)[C@H](C)CO ZINC000120514376 415770124 /nfs/dbraw/zinc/77/01/24/415770124.db2.gz QXLZRTSHPRQIQS-NXEZZACHSA-N 0 0 312.391 0.268 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000120628548 415777246 /nfs/dbraw/zinc/77/72/46/415777246.db2.gz SNVQPHRMJLDNFG-CQSZACIVSA-N 0 0 314.407 0.965 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCO[C@H](Cn3cccn3)C2)n1 ZINC000120146694 415757453 /nfs/dbraw/zinc/75/74/53/415757453.db2.gz DEXYIDBKRLRQNP-ZDUSSCGKSA-N 0 0 303.366 0.842 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122333098 415834156 /nfs/dbraw/zinc/83/41/56/415834156.db2.gz NBGJLKPCRZBJSY-LLVKDONJSA-N 0 0 324.402 0.833 10 0 DCAERN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N1CCC[C@H]1CO ZINC000120982168 415791139 /nfs/dbraw/zinc/79/11/39/415791139.db2.gz XRQBIEJQCWWECF-ZDUSSCGKSA-N 0 0 315.333 0.189 10 0 DCAERN C[C@H](O)[C@@H]1CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1 ZINC000334049255 415793305 /nfs/dbraw/zinc/79/33/05/415793305.db2.gz RCDFXSKLLDEGHC-XGUBFFRZSA-N 0 0 312.410 0.238 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC(Nc2cccnn2)CC1 ZINC000122223600 415828161 /nfs/dbraw/zinc/82/81/61/415828161.db2.gz FIGVZSGEHOQUCP-LLVKDONJSA-N 0 0 314.411 0.718 10 0 DCAERN CN(C)c1ncc(NC(=O)c2ccccc2-n2cnnn2)cn1 ZINC000126038948 415870565 /nfs/dbraw/zinc/87/05/65/415870565.db2.gz GHXTZKHROWMLMY-UHFFFAOYSA-N 0 0 310.321 0.771 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)CNC(C)=O)Cc1ccccc1 ZINC000127650884 415889003 /nfs/dbraw/zinc/88/90/03/415889003.db2.gz VABHCILRBPQUEQ-AWEZNQCLSA-N 0 0 306.362 0.661 10 0 DCAERN O=S(=O)(NCCC[C@@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000127906521 415892856 /nfs/dbraw/zinc/89/28/56/415892856.db2.gz ZEBCXEUFCCONAD-QWHCGFSZSA-N 0 0 306.428 0.484 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000127722243 415893203 /nfs/dbraw/zinc/89/32/03/415893203.db2.gz GQSHJCSYYNABIP-UHFFFAOYSA-N 0 0 317.389 0.732 10 0 DCAERN COc1cccc(CNC(=O)Cn2nc3ccccn3c2=O)n1 ZINC000128304235 415897989 /nfs/dbraw/zinc/89/79/89/415897989.db2.gz FPFCZLDTYDXHNC-UHFFFAOYSA-N 0 0 313.317 0.216 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C12CCC2 ZINC000356433802 415921346 /nfs/dbraw/zinc/92/13/46/415921346.db2.gz XAZJDDREWRZWOO-ZQDZILKHSA-N 0 0 324.421 0.774 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000133334542 415942536 /nfs/dbraw/zinc/94/25/36/415942536.db2.gz GVDDTXUOCMBWMN-GXTWGEPZSA-N 0 0 324.402 0.451 10 0 DCAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CCNC(=O)CC1 ZINC000133737709 415948753 /nfs/dbraw/zinc/94/87/53/415948753.db2.gz MIRYFGHFBDFMEJ-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN CN1C[C@H](NC(=O)c2ccccc2-n2cnnn2)CCC1=O ZINC000133698321 415949962 /nfs/dbraw/zinc/94/99/62/415949962.db2.gz XEMYRZAKFGFQTQ-SNVBAGLBSA-N 0 0 300.322 0.013 10 0 DCAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCNC(=O)CC1 ZINC000133780907 415950618 /nfs/dbraw/zinc/95/06/18/415950618.db2.gz KBHNWVSYSHDFJK-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCO[C@H](Cn2cccn2)C1 ZINC000134331253 415955447 /nfs/dbraw/zinc/95/54/47/415955447.db2.gz WROHWMYSSSGYCU-QWHCGFSZSA-N 0 0 315.377 0.954 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CCc3ncnn3C2)[nH]n1 ZINC000152751035 415969626 /nfs/dbraw/zinc/96/96/26/415969626.db2.gz MRFIMXYVRXPVBN-KOLCDFICSA-N 0 0 303.370 0.555 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000153131352 415975942 /nfs/dbraw/zinc/97/59/42/415975942.db2.gz UVCVUSASCZOAMN-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153556734 415983017 /nfs/dbraw/zinc/98/30/17/415983017.db2.gz WCYKQCGHTPCOBN-HUUCEWRRSA-N 0 0 324.446 0.853 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)Cn1ccnc1 ZINC000153577692 415984507 /nfs/dbraw/zinc/98/45/07/415984507.db2.gz QKYMVOWLUYSRFK-VXGBXAGGSA-N 0 0 310.423 0.947 10 0 DCAERN CCCC[C@H](COC)NC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000153794444 415987346 /nfs/dbraw/zinc/98/73/46/415987346.db2.gz COXDZLJBVMWAJD-LLVKDONJSA-N 0 0 311.386 0.956 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000154919989 415991653 /nfs/dbraw/zinc/99/16/53/415991653.db2.gz ODTMDVPDFQVSLT-JTQLQIEISA-N 0 0 306.370 0.533 10 0 DCAERN COC(=O)c1c(OC)ccc(S(=O)(=O)N(C)C)c1OC ZINC000357205462 416045868 /nfs/dbraw/zinc/04/58/68/416045868.db2.gz UNDLWWZVYGSBTG-UHFFFAOYSA-N 0 0 303.336 0.741 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCc1nccn1C(F)F ZINC000357241774 416051224 /nfs/dbraw/zinc/05/12/24/416051224.db2.gz AAADZLSAHBIBBF-BDAKNGLRSA-N 0 0 316.308 0.124 10 0 DCAERN Cn1cc([C@H]2CCN(S(=O)(=O)CC3CCOCC3)C2)cn1 ZINC000173162205 416053722 /nfs/dbraw/zinc/05/37/22/416053722.db2.gz UCYXHPVDMKHWRV-ZDUSSCGKSA-N 0 0 313.423 0.966 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000173176528 416053938 /nfs/dbraw/zinc/05/39/38/416053938.db2.gz QEYRCSPURUXTMJ-LLVKDONJSA-N 0 0 309.341 0.519 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000173131591 416054753 /nfs/dbraw/zinc/05/47/53/416054753.db2.gz XJGBPDWQLHZMSG-MNOVXSKESA-N 0 0 304.412 0.484 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000173456024 416058365 /nfs/dbraw/zinc/05/83/65/416058365.db2.gz RVHJYNISNQMFOH-GWCFXTLKSA-N 0 0 306.410 0.953 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173610193 416061306 /nfs/dbraw/zinc/06/13/06/416061306.db2.gz ZIRYZPYHKUZSAD-NSHDSACASA-N 0 0 323.397 0.573 10 0 DCAERN COC(=O)[C@H]1CCCCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338229967 416061501 /nfs/dbraw/zinc/06/15/01/416061501.db2.gz FERAPGLFJWTIHR-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN Cc1nc(CNC(=O)CNC(=O)c2ccc(F)cc2F)no1 ZINC000173624915 416061577 /nfs/dbraw/zinc/06/15/77/416061577.db2.gz UQFZTZYWTGXHMB-UHFFFAOYSA-N 0 0 310.260 0.702 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCCC[C@@H]3C)CCO2)[nH]1 ZINC000173759318 416063392 /nfs/dbraw/zinc/06/33/92/416063392.db2.gz JEBYJMCGFOQNSK-WCQYABFASA-N 0 0 307.398 0.887 10 0 DCAERN O=C(NCCc1ccccn1)N1CC[C@H](N2CCOCC2)C1 ZINC000173781459 416065045 /nfs/dbraw/zinc/06/50/45/416065045.db2.gz PPTLDMSLZQIRSD-HNNXBMFYSA-N 0 0 304.394 0.740 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1N1CCOCC1 ZINC000173872563 416066716 /nfs/dbraw/zinc/06/67/16/416066716.db2.gz IBOBGBQFQLJNKC-CABCVRRESA-N 0 0 323.437 0.568 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC000173980632 416070776 /nfs/dbraw/zinc/07/07/76/416070776.db2.gz HAXGQUWHZDMMDT-MRVPVSSYSA-N 0 0 321.312 0.402 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)C1 ZINC000357390255 416072963 /nfs/dbraw/zinc/07/29/63/416072963.db2.gz JFXJRPOAIFDVCN-QWRGUYRKSA-N 0 0 320.315 0.860 10 0 DCAERN COCCOCCS(=O)(=O)N(C)CCc1ncc(C)s1 ZINC000167341355 416023577 /nfs/dbraw/zinc/02/35/77/416023577.db2.gz UQGKYEUBYLVKJS-UHFFFAOYSA-N 0 0 322.452 0.919 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000168875891 416025800 /nfs/dbraw/zinc/02/58/00/416025800.db2.gz YFMSHWIICSESQE-STQMWFEESA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000170823317 416034350 /nfs/dbraw/zinc/03/43/50/416034350.db2.gz CUUJCAMAUROHQH-ZWNOBZJWSA-N 0 0 316.361 0.086 10 0 DCAERN CNC(=O)c1ccc(NC[C@H](C(C)C)N2CCOCC2)nn1 ZINC000301338534 416082593 /nfs/dbraw/zinc/08/25/93/416082593.db2.gz HKKULGBNEWEGHQ-CYBMUJFWSA-N 0 0 307.398 0.605 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000174649474 416083321 /nfs/dbraw/zinc/08/33/21/416083321.db2.gz DCPHEOZFUXTOKJ-LBPRGKRZSA-N 0 0 322.413 0.214 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000174850066 416087155 /nfs/dbraw/zinc/08/71/55/416087155.db2.gz SXPMJZOFYKKZOE-QWHCGFSZSA-N 0 0 317.455 0.353 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000301553478 416087223 /nfs/dbraw/zinc/08/72/23/416087223.db2.gz MUFPVMQJCLRVKQ-UHFFFAOYSA-N 0 0 314.349 0.028 10 0 DCAERN CN(C)C(=O)CC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000174812569 416087490 /nfs/dbraw/zinc/08/74/90/416087490.db2.gz JIDRZIVHNRTVCN-CYBMUJFWSA-N 0 0 321.352 0.868 10 0 DCAERN Cc1cc(C)n(-c2cncc(NC[C@@H]3CN4CCN3CC4)n2)n1 ZINC000301782180 416091929 /nfs/dbraw/zinc/09/19/29/416091929.db2.gz NZDBKZLUWKNVDF-CQSZACIVSA-N 0 0 313.409 0.691 10 0 DCAERN O=C(Nc1nncs1)c1ccc(NCCc2cn[nH]c2)nc1 ZINC000357621085 416106635 /nfs/dbraw/zinc/10/66/35/416106635.db2.gz JYOJMUWPKXOMGI-UHFFFAOYSA-N 0 0 315.362 1.563 10 0 DCAERN O=S(=O)(CCCF)N1CCCC[C@H]1CN1CCOCC1 ZINC000175596453 416111392 /nfs/dbraw/zinc/11/13/92/416111392.db2.gz NRXNWXHXRPNAFB-ZDUSSCGKSA-N 0 0 308.419 0.863 10 0 DCAERN Cc1noc(CCNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000175743144 416112306 /nfs/dbraw/zinc/11/23/06/416112306.db2.gz AUXWRGSQIOYQAN-WCQYABFASA-N 0 0 323.397 0.283 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000175830471 416114593 /nfs/dbraw/zinc/11/45/93/416114593.db2.gz MHKYEDGWFGOFQX-UHFFFAOYSA-N 0 0 323.378 0.738 10 0 DCAERN CC(=O)c1ccc(OCCCC(=O)NC[C@@](C)(O)CO)cc1 ZINC000338625319 416117291 /nfs/dbraw/zinc/11/72/91/416117291.db2.gz JZYUFNDSVORQAT-MRXNPFEDSA-N 0 0 309.362 0.908 10 0 DCAERN CN(C)C(=O)CCCNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000176001737 416118240 /nfs/dbraw/zinc/11/82/40/416118240.db2.gz SYAPWODXCDXHHA-NSHDSACASA-N 0 0 311.304 0.564 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000357712431 416120246 /nfs/dbraw/zinc/12/02/46/416120246.db2.gz ABCVRNJAXZZOGQ-SSDOTTSWSA-N 0 0 307.397 0.328 10 0 DCAERN CCN(Cc1cnn(C)c1)C(=O)CN(C)S(=O)(=O)CC ZINC000176235219 416122741 /nfs/dbraw/zinc/12/27/41/416122741.db2.gz VDAZVSQNDSAOBA-UHFFFAOYSA-N 0 0 302.400 0.050 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@H](CO)c2ccccc2)CCC1=O ZINC000176284591 416124471 /nfs/dbraw/zinc/12/44/71/416124471.db2.gz AQXLETBQTQPOLB-KGLIPLIRSA-N 0 0 305.378 0.683 10 0 DCAERN CS(=O)(=O)CC1(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000176395447 416125112 /nfs/dbraw/zinc/12/51/12/416125112.db2.gz YJPUUXCWIUFWPG-UHFFFAOYSA-N 0 0 316.423 0.330 10 0 DCAERN O=C1c2ccc(F)cc2C(=O)N1C[C@@H](O)CN1CCOCC1 ZINC000176381480 416126215 /nfs/dbraw/zinc/12/62/15/416126215.db2.gz SCJFEWSQUPCHSN-NSHDSACASA-N 0 0 308.309 0.115 10 0 DCAERN COCCCOC1CN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000176509568 416127865 /nfs/dbraw/zinc/12/78/65/416127865.db2.gz SEZBRDXZDGKYRP-UHFFFAOYSA-N 0 0 317.349 0.540 10 0 DCAERN CC(C)OCCCCNC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C ZINC000357760283 416129551 /nfs/dbraw/zinc/12/95/51/416129551.db2.gz VZTUQAQGVODZJW-QWHCGFSZSA-N 0 0 300.399 0.537 10 0 DCAERN O=C(Cn1ccc(=O)c2ccccc21)NC[C@@]1(O)CCSC1 ZINC000176722644 416132804 /nfs/dbraw/zinc/13/28/04/416132804.db2.gz ARCAGFYQWWMEAN-INIZCTEOSA-N 0 0 318.398 0.986 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCc1nc(C)c(C)s1 ZINC000176998940 416137873 /nfs/dbraw/zinc/13/78/73/416137873.db2.gz QNRIUMGLHOICDP-UHFFFAOYSA-N 0 0 305.425 0.658 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)NCCc1cc(F)ccc1F ZINC000177091175 416140375 /nfs/dbraw/zinc/14/03/75/416140375.db2.gz YSKFPBWRMXJNOY-UHFFFAOYSA-N 0 0 309.272 0.174 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000357845824 416141549 /nfs/dbraw/zinc/14/15/49/416141549.db2.gz HDXVNPMOFUSVHE-AAEUAGOBSA-N 0 0 310.398 0.258 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](CO)C2CCCC2)C1 ZINC000357860674 416143380 /nfs/dbraw/zinc/14/33/80/416143380.db2.gz IIVBTKBAAGWNHI-OLZOCXBDSA-N 0 0 312.414 0.641 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177357080 416143539 /nfs/dbraw/zinc/14/35/39/416143539.db2.gz RXOLZVNVAZTLOA-CYBMUJFWSA-N 0 0 307.398 0.829 10 0 DCAERN CCCS(=O)(=O)CCN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177269304 416144890 /nfs/dbraw/zinc/14/48/90/416144890.db2.gz PPYVBJSLGRINCM-UONOGXRCSA-N 0 0 304.456 0.464 10 0 DCAERN O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)C[C@@H](O)CO ZINC000177671197 416149509 /nfs/dbraw/zinc/14/95/09/416149509.db2.gz QBEBQUQDWDZWIG-LBPRGKRZSA-N 0 0 315.322 0.749 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000177649631 416150143 /nfs/dbraw/zinc/15/01/43/416150143.db2.gz RKWBGYGQPHJASQ-CHWSQXEVSA-N 0 0 309.414 0.280 10 0 DCAERN C[C@H](NC(=O)[C@H]1COCCO1)c1cn(-c2ccccc2)nn1 ZINC000177711129 416151953 /nfs/dbraw/zinc/15/19/53/416151953.db2.gz UBQJUOKJUNFUFS-SMDDNHRTSA-N 0 0 302.334 0.860 10 0 DCAERN CNC(=O)c1ccc(NC[C@@H](C(C)C)N2CCOCC2)nn1 ZINC000301338535 416081486 /nfs/dbraw/zinc/08/14/86/416081486.db2.gz HKKULGBNEWEGHQ-ZDUSSCGKSA-N 0 0 307.398 0.605 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178719576 416170640 /nfs/dbraw/zinc/17/06/40/416170640.db2.gz IOZRKUPLBROFKA-GFCCVEGCSA-N 0 0 306.428 0.478 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCCNC(=O)c1cccnc1)C(C)C ZINC000178724945 416170677 /nfs/dbraw/zinc/17/06/77/416170677.db2.gz NLOGQDMFYBMPDD-CQSZACIVSA-N 0 0 320.393 0.478 10 0 DCAERN CNC(=O)[C@@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)C(C)C ZINC000178809966 416173884 /nfs/dbraw/zinc/17/38/84/416173884.db2.gz TZHRLTZCNRJIST-JSGCOSHPSA-N 0 0 319.409 0.730 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)Cc1cccc(OC)c1)C(C)C ZINC000178930323 416178168 /nfs/dbraw/zinc/17/81/68/416178168.db2.gz MCVRSHHFAZPTDZ-ZDUSSCGKSA-N 0 0 314.407 0.885 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1ccccc1Cl ZINC000178966970 416179523 /nfs/dbraw/zinc/17/95/23/416179523.db2.gz IXBHPSFYVDSYFB-LLVKDONJSA-N 0 0 322.796 0.395 10 0 DCAERN CCc1cnccc1C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000179456204 416188446 /nfs/dbraw/zinc/18/84/46/416188446.db2.gz IUWUCPIITRALTK-UHFFFAOYSA-N 0 0 311.407 0.752 10 0 DCAERN CCOc1ccc(C(C)=O)cc1CN1CCOC[C@H]1C(N)=O ZINC000179735904 416192954 /nfs/dbraw/zinc/19/29/54/416192954.db2.gz UJCHCUPINCQZRE-AWEZNQCLSA-N 0 0 306.362 0.974 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000180001551 416194595 /nfs/dbraw/zinc/19/45/95/416194595.db2.gz VEZHXBCFHDOFKE-CRWXNKLISA-N 0 0 320.455 0.823 10 0 DCAERN CC(C)CNC(=O)C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180264863 416195612 /nfs/dbraw/zinc/19/56/12/416195612.db2.gz PCEXZZYSTCHVPL-IBGZPJMESA-N 0 0 304.441 0.625 10 0 DCAERN COCCCS(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180972801 416202995 /nfs/dbraw/zinc/20/29/95/416202995.db2.gz PSAHZHHUIDZTEN-GFCCVEGCSA-N 0 0 302.400 0.356 10 0 DCAERN NS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181279156 416204774 /nfs/dbraw/zinc/20/47/74/416204774.db2.gz YMYZVKZTJMYZIK-LLVKDONJSA-N 0 0 307.379 0.855 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181363076 416205859 /nfs/dbraw/zinc/20/58/59/416205859.db2.gz IYMPBFUJGUHDLZ-CHWSQXEVSA-N 0 0 322.413 0.120 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181391717 416206477 /nfs/dbraw/zinc/20/64/77/416206477.db2.gz LBRYYXWPVDUTBC-QWRGUYRKSA-N 0 0 309.395 0.780 10 0 DCAERN CS(=O)(=O)[C@H]1CCCN(C(=O)NCCc2cn[nH]c2)C1 ZINC000358188439 416206718 /nfs/dbraw/zinc/20/67/18/416206718.db2.gz RUKFUWKZDQLTLK-NSHDSACASA-N 0 0 300.384 0.171 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)NCc1ccc(Cl)cn1 ZINC000181502896 416207794 /nfs/dbraw/zinc/20/77/94/416207794.db2.gz XILCILAFCLCVKA-UHFFFAOYSA-N 0 0 322.756 0.687 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000181413840 416208761 /nfs/dbraw/zinc/20/87/61/416208761.db2.gz HDMYWEDQKLHMFB-LBPRGKRZSA-N 0 0 323.736 0.789 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181410223 416208860 /nfs/dbraw/zinc/20/88/60/416208860.db2.gz LCKVZGLKLKDJBQ-TZMCWYRMSA-N 0 0 310.398 0.335 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C[C@H](O)C(F)(F)F)CC2)n1 ZINC000181690041 416211287 /nfs/dbraw/zinc/21/12/87/416211287.db2.gz WUMCVOGTAFSHKM-SCZZXKLOSA-N 0 0 308.304 0.980 10 0 DCAERN COC(=O)C1CCC(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)CC1 ZINC000341525677 416211543 /nfs/dbraw/zinc/21/15/43/416211543.db2.gz MFIURNYDIYJZCX-CLRIEMFWSA-N 0 0 310.394 0.507 10 0 DCAERN COC1(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000181806373 416212123 /nfs/dbraw/zinc/21/21/23/416212123.db2.gz KMNCZWMZFCOJMI-UONOGXRCSA-N 0 0 311.426 0.918 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)C2 ZINC000182208847 416215512 /nfs/dbraw/zinc/21/55/12/416215512.db2.gz ROKBXDWMEPXKGY-ABAIWWIYSA-N 0 0 300.362 0.940 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1ncn(C)c1=O ZINC000182214046 416215714 /nfs/dbraw/zinc/21/57/14/416215714.db2.gz KPDIXZNIZWLYED-LBPRGKRZSA-N 0 0 304.350 0.303 10 0 DCAERN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCN1)C2=O ZINC000182982642 416234581 /nfs/dbraw/zinc/23/45/81/416234581.db2.gz SSSYVDWLBFEXBT-UHFFFAOYSA-N 0 0 308.382 0.614 10 0 DCAERN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H](CO)C1CC1 ZINC000358293363 416221871 /nfs/dbraw/zinc/22/18/71/416221871.db2.gz AINUUCMVYAYTQN-BFHYXJOUSA-N 0 0 322.405 0.686 10 0 DCAERN COCc1nc(CN2CCCN(Cc3cnn(C)c3)CC2)no1 ZINC000182445289 416223042 /nfs/dbraw/zinc/22/30/42/416223042.db2.gz ZGTPHUNVUYGXSQ-UHFFFAOYSA-N 0 0 320.397 0.657 10 0 DCAERN C[C@@H](Sc1nnnn1C1CC1)C(=O)NC[C@@H](CO)C1CC1 ZINC000358327096 416224058 /nfs/dbraw/zinc/22/40/58/416224058.db2.gz WTLCEPBRQNMUIJ-SCZZXKLOSA-N 0 0 311.411 0.623 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1c1nccs1 ZINC000178129870 416158004 /nfs/dbraw/zinc/15/80/04/416158004.db2.gz UMLNLLGEZDWAQY-ZYHUDNBSSA-N 0 0 320.418 0.991 10 0 DCAERN COC[C@H](NC(=O)C(=O)NCCC(C)(C)O)c1ccccc1 ZINC000357961629 416160471 /nfs/dbraw/zinc/16/04/71/416160471.db2.gz VTUWLEKKHGLYCB-ZDUSSCGKSA-N 0 0 308.378 0.768 10 0 DCAERN Cn1c(=O)cc(CNc2cc(CO)ccc2Cl)n(C)c1=O ZINC000178358740 416161884 /nfs/dbraw/zinc/16/18/84/416161884.db2.gz OWMASKXJVMQTIN-UHFFFAOYSA-N 0 0 309.753 0.842 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)C(=O)NCc1ccc(F)cc1 ZINC000182841114 416232938 /nfs/dbraw/zinc/23/29/38/416232938.db2.gz LTRQBPBGQZGWKI-OAHLLOKOSA-N 0 0 312.341 0.346 10 0 DCAERN CCOc1c(F)cccc1C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000183516660 416243279 /nfs/dbraw/zinc/24/32/79/416243279.db2.gz UQJGHVYHHQQMBW-LBPRGKRZSA-N 0 0 310.325 0.811 10 0 DCAERN COC(=O)c1coc(C(=O)NC[C@@H](C)CN2CCOCC2)c1 ZINC000183691885 416248402 /nfs/dbraw/zinc/24/84/02/416248402.db2.gz FHURZWPPRFSILP-LLVKDONJSA-N 0 0 310.350 0.764 10 0 DCAERN COC[C@@H](C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000183728463 416248921 /nfs/dbraw/zinc/24/89/21/416248921.db2.gz DUQGHFMPQPJAIZ-LLVKDONJSA-N 0 0 311.357 0.956 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(c2cc(C)[nH]n2)CC1 ZINC000187167951 416260342 /nfs/dbraw/zinc/26/03/42/416260342.db2.gz LZSYNKAUTOQGKM-UHFFFAOYSA-N 0 0 300.428 0.665 10 0 DCAERN CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358614998 416260523 /nfs/dbraw/zinc/26/05/23/416260523.db2.gz MWVKXRYPFGJMIB-CABCVRRESA-N 0 0 323.437 0.686 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000187934764 416262027 /nfs/dbraw/zinc/26/20/27/416262027.db2.gz SWZIPJCOOFKDLA-OLZOCXBDSA-N 0 0 306.362 0.333 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000188516490 416262172 /nfs/dbraw/zinc/26/21/72/416262172.db2.gz LHVOJJXKLPICTR-GFCCVEGCSA-N 0 0 320.397 0.921 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)Cc2cnccc2C)CC1 ZINC000331104578 416265009 /nfs/dbraw/zinc/26/50/09/416265009.db2.gz FGDFGZQYLZCRNM-UHFFFAOYSA-N 0 0 304.394 0.513 10 0 DCAERN CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2(CCO)CC2)C1 ZINC000190013329 416274840 /nfs/dbraw/zinc/27/48/40/416274840.db2.gz RENLSFNLIZSFSY-CQSZACIVSA-N 0 0 313.442 0.805 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cnns1 ZINC000183098410 416235260 /nfs/dbraw/zinc/23/52/60/416235260.db2.gz ICLDRHJWLKZYNF-JTQLQIEISA-N 0 0 303.347 0.859 10 0 DCAERN CC(C)[C@@H](NC(=O)COC(C)(C)C)C(=O)N1CCOCC1 ZINC000183181286 416236311 /nfs/dbraw/zinc/23/63/11/416236311.db2.gz HVCZSVQONMAIQH-CYBMUJFWSA-N 0 0 300.399 0.801 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)C[S@](C)=O ZINC000183206037 416238936 /nfs/dbraw/zinc/23/89/36/416238936.db2.gz ZMKAFJDPJXGRKZ-HQRLLJBISA-N 0 0 313.832 0.427 10 0 DCAERN O=C(c1cncc(Cl)n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000192349623 416303246 /nfs/dbraw/zinc/30/32/46/416303246.db2.gz PMLLKULCSAZSAX-JTQLQIEISA-N 0 0 307.741 0.868 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCSC[C@H](C)C2)cn1 ZINC000192246640 416303534 /nfs/dbraw/zinc/30/35/34/416303534.db2.gz VUKDCFLOERMOOD-SNVBAGLBSA-N 0 0 311.411 0.846 10 0 DCAERN CC1(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CCC1 ZINC000192460876 416305707 /nfs/dbraw/zinc/30/57/07/416305707.db2.gz YARUSNDBVVKCQX-UHFFFAOYSA-N 0 0 303.428 0.887 10 0 DCAERN CNS(=O)(=O)c1cc(NC(=O)c2ccnnc2)ccc1F ZINC000359193534 416311588 /nfs/dbraw/zinc/31/15/88/416311588.db2.gz NLBVXZVYUFHKGZ-UHFFFAOYSA-N 0 0 310.310 0.776 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C)cc(C)n1)C(C)C ZINC000193599326 416318890 /nfs/dbraw/zinc/31/88/90/416318890.db2.gz GUCHUKAIZXESBT-LBPRGKRZSA-N 0 0 306.366 0.524 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000193925177 416320594 /nfs/dbraw/zinc/32/05/94/416320594.db2.gz SRHYVHSEZPJYMS-NEPJUHHUSA-N 0 0 318.377 0.749 10 0 DCAERN C[C@H]1CN(C(=O)c2nc3cccnc3s2)CCS1(=O)=O ZINC000193953394 416321192 /nfs/dbraw/zinc/32/11/92/416321192.db2.gz KOANTIPIXSKCMD-QMMMGPOBSA-N 0 0 311.388 0.950 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1 ZINC000190506762 416279495 /nfs/dbraw/zinc/27/94/95/416279495.db2.gz NKDGDJUOHYVJKG-CYBMUJFWSA-N 0 0 324.425 0.411 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000331200586 416284998 /nfs/dbraw/zinc/28/49/98/416284998.db2.gz PSSYRVHMWVLKQX-NSHDSACASA-N 0 0 319.427 0.120 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000191685231 416288537 /nfs/dbraw/zinc/28/85/37/416288537.db2.gz XVMZLHZNHBWCIU-YPMHNXCESA-N 0 0 318.439 0.732 10 0 DCAERN CN(C(=O)C(=O)NCC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000191842207 416289556 /nfs/dbraw/zinc/28/95/56/416289556.db2.gz WJIZLAZKRJXQQS-AWEZNQCLSA-N 0 0 315.373 0.777 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN(C(=O)C(C)(C)O)CC2)n1 ZINC000191815078 416290261 /nfs/dbraw/zinc/29/02/61/416290261.db2.gz DIZDALSWBLFDLL-UHFFFAOYSA-N 0 0 318.381 0.091 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262958194 416337194 /nfs/dbraw/zinc/33/71/94/416337194.db2.gz JSNXRVWICBEZFG-LBPRGKRZSA-N 0 0 306.428 0.987 10 0 DCAERN Cc1cn2nc(N3CC[C@@H](NS(C)(=O)=O)C3)sc2n1 ZINC000265228147 416341194 /nfs/dbraw/zinc/34/11/94/416341194.db2.gz BCMSXIIJXPCFNS-MRVPVSSYSA-N 0 0 301.397 0.227 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000359587008 416351935 /nfs/dbraw/zinc/35/19/35/416351935.db2.gz DSKZZRNQPUZYNB-AWEZNQCLSA-N 0 0 319.361 0.497 10 0 DCAERN CCN1C[C@@H](C(=O)NCc2ccnc(-n3ccnc3)c2)CC1=O ZINC000194653944 416324254 /nfs/dbraw/zinc/32/42/54/416324254.db2.gz XGKRREDCXBKPKX-ZDUSSCGKSA-N 0 0 313.361 0.752 10 0 DCAERN COc1cccc(CNC(=O)NCC(=O)NCC(F)(F)F)n1 ZINC000194644261 416324473 /nfs/dbraw/zinc/32/44/73/416324473.db2.gz QQDBVPSSTHTNLC-UHFFFAOYSA-N 0 0 320.271 0.568 10 0 DCAERN O=C([C@H]1COCCN1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000237923409 416329268 /nfs/dbraw/zinc/32/92/68/416329268.db2.gz RCFXPGIHXFAQDB-ZIAGYGMSSA-N 0 0 312.316 0.853 10 0 DCAERN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1COCCN1 ZINC000238008609 416329587 /nfs/dbraw/zinc/32/95/87/416329587.db2.gz ITBGAYMJLPYMDX-OAHLLOKOSA-N 0 0 304.390 0.839 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1ccc(N2CCNC2=O)cc1 ZINC000359814881 416360274 /nfs/dbraw/zinc/36/02/74/416360274.db2.gz AQOINYDGAYPIQV-CYBMUJFWSA-N 0 0 303.362 0.965 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000360205422 416379416 /nfs/dbraw/zinc/37/94/16/416379416.db2.gz AZJZBASVANWOEP-JSGCOSHPSA-N 0 0 317.455 0.811 10 0 DCAERN CN1CCC[C@H](NC(=O)NCC(=O)Nc2ccccc2)C1=O ZINC000360414207 416388753 /nfs/dbraw/zinc/38/87/53/416388753.db2.gz OTEJZRCGKWWMDS-LBPRGKRZSA-N 0 0 304.350 0.545 10 0 DCAERN COc1ccc(-n2ccc(C(=O)NCc3cnnn3C)n2)cc1 ZINC000360695116 416404309 /nfs/dbraw/zinc/40/43/09/416404309.db2.gz KXPJFXGIGAWHEI-UHFFFAOYSA-N 0 0 312.333 0.939 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N1CCN2CCOC[C@H]2C1 ZINC000360715881 416405329 /nfs/dbraw/zinc/40/53/29/416405329.db2.gz UEKFVUPJVROYFS-CQSZACIVSA-N 0 0 315.377 0.789 10 0 DCAERN CC[C@H](CSC)NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000360773857 416409595 /nfs/dbraw/zinc/40/95/95/416409595.db2.gz UBBGKZDNAPVKPS-MNOVXSKESA-N 0 0 320.480 0.571 10 0 DCAERN CO[C@@H](C)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360819904 416412386 /nfs/dbraw/zinc/41/23/86/416412386.db2.gz VJOIMRHGLOJSNQ-WDEREUQCSA-N 0 0 304.412 0.342 10 0 DCAERN COc1c(NC(=O)C(=O)N[C@@H]2CC2(C)C)cccc1C(N)=O ZINC000360836681 416413324 /nfs/dbraw/zinc/41/33/24/416413324.db2.gz SOFLZNAVNWJIIA-SNVBAGLBSA-N 0 0 305.334 0.647 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCCC(F)(F)F)cn1C ZINC000360835249 416413396 /nfs/dbraw/zinc/41/33/96/416413396.db2.gz RRZRIFTUQDPMCE-UHFFFAOYSA-N 0 0 313.301 0.615 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H]2CC2(C)C)c1C ZINC000361763646 416490756 /nfs/dbraw/zinc/49/07/56/416490756.db2.gz IQAPYCTXFJBFCD-SNVBAGLBSA-N 0 0 308.338 0.218 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)Cn1ccnn1)Oc1ccccc1 ZINC000458406764 416461642 /nfs/dbraw/zinc/46/16/42/416461642.db2.gz WQQZGEPAVQXFAB-STQMWFEESA-N 0 0 319.365 0.406 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@]2(O)CCO[C@@H]2C)n1 ZINC000434302168 416471383 /nfs/dbraw/zinc/47/13/83/416471383.db2.gz TYRRRQWFRZPEOO-IAQYHMDHSA-N 0 0 309.366 0.472 10 0 DCAERN Cn1cnnc1[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCO1 ZINC000583621799 416480571 /nfs/dbraw/zinc/48/05/71/416480571.db2.gz SYKGXSFRBDBJKZ-TZMCWYRMSA-N 0 0 314.345 0.891 10 0 DCAERN Cn1cnnc1[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCO1 ZINC000583621798 416480588 /nfs/dbraw/zinc/48/05/88/416480588.db2.gz SYKGXSFRBDBJKZ-OCCSQVGLSA-N 0 0 314.345 0.891 10 0 DCAERN CC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C)C1CCOCC1 ZINC000361102187 416421750 /nfs/dbraw/zinc/42/17/50/416421750.db2.gz NNEPEKIPCUIFOH-XBFCOCLRSA-N 0 0 312.410 0.537 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000361205120 416425410 /nfs/dbraw/zinc/42/54/10/416425410.db2.gz PVCAXPSYWFCUJV-QNWHQSFQSA-N 0 0 313.398 0.489 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000532704223 416450617 /nfs/dbraw/zinc/45/06/17/416450617.db2.gz KRHOTHOIIPVUHV-LBPRGKRZSA-N 0 0 314.382 0.424 10 0 DCAERN NC(=O)CSCC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000361912789 416522737 /nfs/dbraw/zinc/52/27/37/416522737.db2.gz RXNLPLIQDHMHBU-JTQLQIEISA-N 0 0 310.375 0.551 10 0 DCAERN OC[C@@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)ncn2)C1 ZINC000435590917 416525593 /nfs/dbraw/zinc/52/55/93/416525593.db2.gz ANFFNKFLHCJHTH-NXEZZACHSA-N 0 0 302.325 0.723 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C)C[C@H]1C ZINC000361934891 416526510 /nfs/dbraw/zinc/52/65/10/416526510.db2.gz FNUMQUJZFQQECR-LLVKDONJSA-N 0 0 307.398 0.645 10 0 DCAERN COc1cc2nc(NC[C@H](O)C(F)F)nc(N)c2cc1OC ZINC000435598834 416526470 /nfs/dbraw/zinc/52/64/70/416526470.db2.gz TUKAVRCSJGUFSZ-QMMMGPOBSA-N 0 0 314.292 0.689 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC(Cn3ccnn3)CC2)n1 ZINC000535742340 416528652 /nfs/dbraw/zinc/52/86/52/416528652.db2.gz QCADJSCMGWDUII-UHFFFAOYSA-N 0 0 303.370 0.633 10 0 DCAERN COc1ccc(C)cc1NC(=O)NC[C@H](O)Cn1ccnn1 ZINC000459289648 416530123 /nfs/dbraw/zinc/53/01/23/416530123.db2.gz KJZQULJVGGFZAS-NSHDSACASA-N 0 0 305.338 0.778 10 0 DCAERN COC[C@@H](NC(=O)CN1CCN(C)C(=O)C1)c1ccccc1 ZINC000436329039 416555179 /nfs/dbraw/zinc/55/51/79/416555179.db2.gz BJDQUXDOSQFJOJ-CQSZACIVSA-N 0 0 305.378 0.264 10 0 DCAERN C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2O)C1=O ZINC000361781195 416495460 /nfs/dbraw/zinc/49/54/60/416495460.db2.gz MXXQADWDEDBKGB-JRPNMDOOSA-N 0 0 309.366 0.127 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)C[C@@H]1OC ZINC000584207973 416507455 /nfs/dbraw/zinc/50/74/55/416507455.db2.gz LPTWQRVSUPSCLY-TXEJJXNPSA-N 0 0 318.333 0.145 10 0 DCAERN C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000435143630 416511756 /nfs/dbraw/zinc/51/17/56/416511756.db2.gz TWZYKYPQSYCSCM-GFCCVEGCSA-N 0 0 320.393 0.898 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000361884192 416517034 /nfs/dbraw/zinc/51/70/34/416517034.db2.gz BSKWWDBJACHBHM-MRVPVSSYSA-N 0 0 302.256 1.445 10 0 DCAERN C[C@H](Oc1cccc(F)c1)C(=O)NCCn1cnccc1=O ZINC000585238048 416520013 /nfs/dbraw/zinc/52/00/13/416520013.db2.gz GZMGKGCUWDUYIP-NSHDSACASA-N 0 0 305.309 0.966 10 0 DCAERN COc1ccc(C(=O)NCCn2cnccc2=O)cc1OC ZINC000585238200 416520024 /nfs/dbraw/zinc/52/00/24/416520024.db2.gz SNXHYOXHAQTBCN-UHFFFAOYSA-N 0 0 303.318 0.691 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@H]2CC(=O)N(CC)C2)no1 ZINC000459040981 416520198 /nfs/dbraw/zinc/52/01/98/416520198.db2.gz ZZFFRTTUDKUNGF-VIFPVBQESA-N 0 0 309.370 0.787 10 0 DCAERN NC(=O)N[C@H](CC(=O)N1CC(n2ccnn2)C1)c1cccs1 ZINC000361909402 416520495 /nfs/dbraw/zinc/52/04/95/416520495.db2.gz UMLXVCKDNWKBKX-SNVBAGLBSA-N 0 0 320.378 0.523 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H](C(N)=O)O1 ZINC000364876570 416593921 /nfs/dbraw/zinc/59/39/21/416593921.db2.gz BQFXSQRWPMEJIW-XEZLXBQYSA-N 0 0 311.382 0.228 10 0 DCAERN CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccnn1C)[C@@H]2C ZINC000364843736 416594336 /nfs/dbraw/zinc/59/43/36/416594336.db2.gz LWGQPJZDZHPGJE-SNVBAGLBSA-N 0 0 324.410 0.901 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@H](O)C2CCOCC2)n1 ZINC000541509695 416608314 /nfs/dbraw/zinc/60/83/14/416608314.db2.gz WJHBZQSSDGGREU-NSHDSACASA-N 0 0 311.386 0.942 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)nn1C ZINC000439458383 416612116 /nfs/dbraw/zinc/61/21/16/416612116.db2.gz SZFKYQGMEWNSJA-SECBINFHSA-N 0 0 300.309 1.361 10 0 DCAERN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C1CC(C)(O)C1 ZINC000424112924 416613804 /nfs/dbraw/zinc/61/38/04/416613804.db2.gz LYZOHXJRKCRANW-HEOUCHJASA-N 0 0 306.366 0.017 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000364066210 416580083 /nfs/dbraw/zinc/58/00/83/416580083.db2.gz YCIRGHDXJZDCMF-STQMWFEESA-N 0 0 318.439 0.985 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)o1 ZINC000437225165 416580954 /nfs/dbraw/zinc/58/09/54/416580954.db2.gz BJGZFWYIYHNPSW-NSHDSACASA-N 0 0 313.313 0.914 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)no1 ZINC000441709235 416679729 /nfs/dbraw/zinc/67/97/29/416679729.db2.gz UXMUDNJBWJGUHM-JTQLQIEISA-N 0 0 324.381 0.478 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)Cc3ccncc3)CC2)[nH]1 ZINC000542791741 416631882 /nfs/dbraw/zinc/63/18/82/416631882.db2.gz ZOMPSFSKZDEAQJ-UHFFFAOYSA-N 0 0 300.366 0.395 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000543364622 416638518 /nfs/dbraw/zinc/63/85/18/416638518.db2.gz JKFHEDCTGYFORL-NSHDSACASA-N 0 0 310.402 0.875 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2cncc(-n3nc(C)cc3C)n2)C1 ZINC000367431338 416645803 /nfs/dbraw/zinc/64/58/03/416645803.db2.gz LORJQZGLOILTGF-QWHCGFSZSA-N 0 0 303.366 0.865 10 0 DCAERN C[C@@H]1N(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCOC1(C)C ZINC000440778339 416647342 /nfs/dbraw/zinc/64/73/42/416647342.db2.gz JZYVMSRTEJBNLF-JTQLQIEISA-N 0 0 323.397 0.998 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000367675065 416651122 /nfs/dbraw/zinc/65/11/22/416651122.db2.gz OYLQDSCGLZMASL-OBPIAQAESA-N 0 0 309.362 0.986 10 0 DCAERN CCCCN(C(=O)CN(C)CCCO)[C@H]1CCS(=O)(=O)C1 ZINC000440956247 416655938 /nfs/dbraw/zinc/65/59/38/416655938.db2.gz UIWBNWLRSYQXGW-ZDUSSCGKSA-N 0 0 320.455 0.116 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](OC)C[C@@H]2C)C1 ZINC000441133844 416661508 /nfs/dbraw/zinc/66/15/08/416661508.db2.gz NVFLLBUEZSKGFH-RWMBFGLXSA-N 0 0 312.414 0.999 10 0 DCAERN CO[C@H]1CCN(C(=O)NCC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000441179941 416663218 /nfs/dbraw/zinc/66/32/18/416663218.db2.gz QKRWWVPBVQBPJQ-IUCAKERBSA-N 0 0 311.304 0.874 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000441187437 416663583 /nfs/dbraw/zinc/66/35/83/416663583.db2.gz GVULJALZXYRYTJ-SAHAZLINSA-N 0 0 322.386 0.587 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)c1cc2c(cn1)OCCO2 ZINC000424761295 416666944 /nfs/dbraw/zinc/66/69/44/416666944.db2.gz MVPRUTAJYCFTOZ-NSHDSACASA-N 0 0 306.318 0.673 10 0 DCAERN CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000548321908 416686613 /nfs/dbraw/zinc/68/66/13/416686613.db2.gz OAAWAJAHBHFNHU-LLVKDONJSA-N 0 0 322.413 1.508 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccnn2C[C@H]2CCOC2)cn1 ZINC000515044979 416689298 /nfs/dbraw/zinc/68/92/98/416689298.db2.gz KHKJRSSSJDGTMA-LLVKDONJSA-N 0 0 305.338 0.671 10 0 DCAERN Cc1nc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)OCO3)no1 ZINC000442409162 416693428 /nfs/dbraw/zinc/69/34/28/416693428.db2.gz LUBYNYMBPYDYJH-UHFFFAOYSA-N 0 0 318.289 0.704 10 0 DCAERN Cc1nc(NCC[C@@H](O)C(F)(F)F)sc1S(N)(=O)=O ZINC000548987615 416693764 /nfs/dbraw/zinc/69/37/64/416693764.db2.gz PVRYTHZFQBCJOL-RXMQYKEDSA-N 0 0 319.330 0.824 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000368815879 416695978 /nfs/dbraw/zinc/69/59/78/416695978.db2.gz IAFCPPUPTPDWOG-INIZCTEOSA-N 0 0 317.389 0.844 10 0 DCAERN COC(=O)CCCc1nc(CN2CCN3CCOC[C@@H]3C2)no1 ZINC000368823200 416696243 /nfs/dbraw/zinc/69/62/43/416696243.db2.gz HUZRQCCWZUMXBM-LBPRGKRZSA-N 0 0 324.381 0.082 10 0 DCAERN C[S@](=O)C1(CNC(=O)C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000442936622 416721711 /nfs/dbraw/zinc/72/17/11/416721711.db2.gz ZUMFZODVALXJMB-NRFANRHFSA-N 0 0 311.407 0.848 10 0 DCAERN CN(CCCO)C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000442996610 416724331 /nfs/dbraw/zinc/72/43/31/416724331.db2.gz XARQHZRZXQVFMW-HNNXBMFYSA-N 0 0 305.334 0.196 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@@H](CO)CC1CCC1 ZINC000557339061 416731174 /nfs/dbraw/zinc/73/11/74/416731174.db2.gz DFMLHHBZWNIYER-CYBMUJFWSA-N 0 0 316.361 0.940 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000443207629 416736818 /nfs/dbraw/zinc/73/68/18/416736818.db2.gz ZTHAXYAVEQKTJG-UHFFFAOYSA-N 0 0 320.455 0.932 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cncc3ncn(C)c32)[C@H](C)C1 ZINC000631833304 416756241 /nfs/dbraw/zinc/75/62/41/416756241.db2.gz XONKNYRXDHUQSI-SNVBAGLBSA-N 0 0 301.350 0.661 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2ccccn2)n1 ZINC000558093684 416760985 /nfs/dbraw/zinc/76/09/85/416760985.db2.gz WHRPOLZCPSLSFI-AWEZNQCLSA-N 0 0 313.361 0.795 10 0 DCAERN CC[C@@]1(CO)CCCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000443753066 416778354 /nfs/dbraw/zinc/77/83/54/416778354.db2.gz DHIJZJYRRCPJNA-INIZCTEOSA-N 0 0 320.393 0.850 10 0 DCAERN Cn1cc(OCC(=O)NCc2n[nH]cc2Br)cn1 ZINC000558630582 416779467 /nfs/dbraw/zinc/77/94/67/416779467.db2.gz SXANRNLPLVJQDG-UHFFFAOYSA-N 0 0 314.143 0.601 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC000517538096 416809365 /nfs/dbraw/zinc/80/93/65/416809365.db2.gz IUTOYKSANSOSRD-ZDUSSCGKSA-N 0 0 305.382 0.889 10 0 DCAERN O=C(NCc1cc[nH]n1)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000559286982 416809799 /nfs/dbraw/zinc/80/97/99/416809799.db2.gz FGTIYWLWDMNYSY-UHFFFAOYSA-N 0 0 302.338 0.155 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3cn(C)nn3)[C@@H]2C1 ZINC000517795413 416825196 /nfs/dbraw/zinc/82/51/96/416825196.db2.gz LDCOMZJVVUBTTD-QJPTWQEYSA-N 0 0 306.370 0.584 10 0 DCAERN CCO[C@@H]1C[C@@](NCCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749487 416865590 /nfs/dbraw/zinc/86/55/90/416865590.db2.gz WGYCDPQUQPLGHP-CZUORRHYSA-N 0 0 314.426 0.655 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)C1(C)C ZINC000623685193 416868463 /nfs/dbraw/zinc/86/84/63/416868463.db2.gz IAHFIEDNVFNVMH-USXUVBGUSA-N 0 0 313.398 0.474 10 0 DCAERN CCO[C@H]1C[C@](NS(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286198 416830584 /nfs/dbraw/zinc/83/05/84/416830584.db2.gz MHSIYAPSPFHOCH-CABZTGNLSA-N 0 0 308.400 0.129 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]1CCO)C(=O)N1CCOCC2(CC2)C1 ZINC000519728797 416932883 /nfs/dbraw/zinc/93/28/83/416932883.db2.gz XHFGSUACCPKTOU-CHWSQXEVSA-N 0 0 310.394 0.293 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000519739495 416935061 /nfs/dbraw/zinc/93/50/61/416935061.db2.gz RTIWMENBYOOTFJ-JTQLQIEISA-N 0 0 302.338 0.225 10 0 DCAERN CC(=O)CSCC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000376090376 417021794 /nfs/dbraw/zinc/02/17/94/417021794.db2.gz DFLHAOLQVTXYKV-NSHDSACASA-N 0 0 308.407 1.087 10 0 DCAERN CC(=O)N1CCN(C(=O)NCc2cc(C(N)=O)co2)[C@H](C)C1 ZINC000430243067 417022212 /nfs/dbraw/zinc/02/22/12/417022212.db2.gz UEMLKQLPVLPOSP-SECBINFHSA-N 0 0 308.338 0.141 10 0 DCAERN Cn1cc([C@@H](NC(=O)Cn2cccnc2=O)C(F)(F)F)cn1 ZINC000447260152 416979394 /nfs/dbraw/zinc/97/93/94/416979394.db2.gz XQOUMVBOXSLJHX-SNVBAGLBSA-N 0 0 315.255 0.397 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000565456808 416981241 /nfs/dbraw/zinc/98/12/41/416981241.db2.gz BTWZKURLNLQKCG-LBPRGKRZSA-N 0 0 321.425 0.940 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@](O)(CO)C3)ccc21 ZINC000616211924 416988516 /nfs/dbraw/zinc/98/85/16/416988516.db2.gz JPHSIZPFNQCIFN-MRXNPFEDSA-N 0 0 319.361 0.721 10 0 DCAERN COc1c(N)ncnc1NCc1nn(C)cc1Br ZINC000393624154 417103193 /nfs/dbraw/zinc/10/31/93/417103193.db2.gz PUJAZZRTDKETIC-UHFFFAOYSA-N 0 0 313.159 1.176 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1CNCCN1S(N)(=O)=O ZINC000616602820 417085040 /nfs/dbraw/zinc/08/50/40/417085040.db2.gz VOMDTDGBQCRARB-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN CC(C)(C)OC(=O)NCCN1CCOC[C@@H](c2nn[nH]n2)C1 ZINC000616664818 417089032 /nfs/dbraw/zinc/08/90/32/417089032.db2.gz ZYISLAILIMYSRZ-JTQLQIEISA-N 0 0 312.374 0.140 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3ccccc3n2)C1 ZINC000616662608 417090711 /nfs/dbraw/zinc/09/07/11/417090711.db2.gz CDOXLDJNKFMWOT-GFCCVEGCSA-N 0 0 307.375 0.854 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CCC[C@H]3C(=O)OC(C)C)nn21 ZINC000524047254 417095746 /nfs/dbraw/zinc/09/57/46/417095746.db2.gz GNXYMSZAZFWLRJ-NSHDSACASA-N 0 0 317.349 0.989 10 0 DCAERN CCOC(=O)c1csc(N[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC000400178120 417109256 /nfs/dbraw/zinc/10/92/56/417109256.db2.gz NVJVHAKFPSMNHB-QMMMGPOBSA-N 0 0 319.408 0.766 10 0 DCAERN NC(=O)[C@H]1CCN(C(=O)c2nscc2Br)C1 ZINC000404845928 417119739 /nfs/dbraw/zinc/11/97/39/417119739.db2.gz QDPOLXINPGASGO-YFKPBYRVSA-N 0 0 304.169 0.853 10 0 DCAERN O=C(NC[C@@H]1CCC(=O)N1)c1nscc1Br ZINC000404818300 417121157 /nfs/dbraw/zinc/12/11/57/417121157.db2.gz LLTUGNLIWPDKHX-YFKPBYRVSA-N 0 0 304.169 0.914 10 0 DCAERN CC(C)N1CCC[C@@H](N2CCC[C@H]2CS(N)(=O)=O)C1=O ZINC000407950743 417127661 /nfs/dbraw/zinc/12/76/61/417127661.db2.gz DHVLPYNKFVIKTQ-NWDGAFQWSA-N 0 0 303.428 0.139 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C ZINC000407952570 417129199 /nfs/dbraw/zinc/12/91/99/417129199.db2.gz IKSRHDGMDSOCMK-GHMZBOCLSA-N 0 0 310.398 0.258 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCCC[C@H]1C ZINC000408007071 417133984 /nfs/dbraw/zinc/13/39/84/417133984.db2.gz FSUVYJNFFDNITE-NXEZZACHSA-N 0 0 308.425 0.654 10 0 DCAERN CN(CC(=O)N1CCCC[C@H]1c1cnn(C)c1)S(C)(=O)=O ZINC000408022523 417134637 /nfs/dbraw/zinc/13/46/37/417134637.db2.gz UIXJZZURHWZKJX-LBPRGKRZSA-N 0 0 314.411 0.365 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[C@](C)(F)C1 ZINC000408053637 417135606 /nfs/dbraw/zinc/13/56/06/417135606.db2.gz IHYNCYVISJNNGA-AWEZNQCLSA-N 0 0 306.345 0.826 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000408053507 417138634 /nfs/dbraw/zinc/13/86/34/417138634.db2.gz VCQIJVOSCCNOOB-ZNMIVQPWSA-N 0 0 324.421 0.633 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000408154796 417143552 /nfs/dbraw/zinc/14/35/52/417143552.db2.gz RBSHHUHCDGYYFZ-GFCCVEGCSA-N 0 0 308.300 0.771 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)CC1CCCCC1 ZINC000408106498 417141556 /nfs/dbraw/zinc/14/15/56/417141556.db2.gz YQPNJAJEWGYWTL-LBPRGKRZSA-N 0 0 324.468 0.649 10 0 DCAERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000408083848 417141581 /nfs/dbraw/zinc/14/15/81/417141581.db2.gz ZTJCDCATGGQTDN-VXGBXAGGSA-N 0 0 317.393 1.015 10 0 DCAERN O=C([C@H]1CCCCC(=O)N1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000408447799 417160889 /nfs/dbraw/zinc/16/08/89/417160889.db2.gz IMGVRKRCNBEPKV-YWVKMMECSA-N 0 0 308.300 0.959 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)C[C@@H]1C ZINC000408190409 417146479 /nfs/dbraw/zinc/14/64/79/417146479.db2.gz YECJWAWUEBNMPG-NWDGAFQWSA-N 0 0 324.429 0.952 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000408204367 417146697 /nfs/dbraw/zinc/14/66/97/417146697.db2.gz UUYWTQGYGKJIHZ-DCAQKATOSA-N 0 0 305.382 0.706 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2CS(N)(=O)=O)C1 ZINC000408167086 417147064 /nfs/dbraw/zinc/14/70/64/417147064.db2.gz BVXUAJNFAZJWST-JHJVBQTASA-N 0 0 317.455 0.244 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000408207924 417149025 /nfs/dbraw/zinc/14/90/25/417149025.db2.gz YKUNOOPMXAYOFI-RFQIPJPRSA-N 0 0 311.426 0.205 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cn1 ZINC000408206477 417149640 /nfs/dbraw/zinc/14/96/40/417149640.db2.gz OKPWXNBMXZQJOX-MNOVXSKESA-N 0 0 308.386 0.185 10 0 DCAERN COC(=O)c1cncc(C(=O)NC[C@@H](C)N2CCCCC2=O)c1 ZINC000526015316 417171391 /nfs/dbraw/zinc/17/13/91/417171391.db2.gz HYBFKOLKCCMVDG-LLVKDONJSA-N 0 0 319.361 0.999 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 ZINC000617259911 417188704 /nfs/dbraw/zinc/18/87/04/417188704.db2.gz KEFGLHODCOSSEL-DZGCQCFKSA-N 0 0 305.382 0.385 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cn3cccnc3n2)[C@H](C)C1 ZINC000527004033 417199509 /nfs/dbraw/zinc/19/95/09/417199509.db2.gz GNUZJZMDBGVZBR-VXGBXAGGSA-N 0 0 303.366 0.256 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCCc1cn2c(n1)SCC2 ZINC000527043013 417208089 /nfs/dbraw/zinc/20/80/89/417208089.db2.gz HVLLUTBNHHFZAF-JTQLQIEISA-N 0 0 316.452 0.850 10 0 DCAERN C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ncn(C)n1 ZINC000527083569 417209300 /nfs/dbraw/zinc/20/93/00/417209300.db2.gz UTSLUHOOFDKTNO-LLVKDONJSA-N 0 0 311.349 0.951 10 0 DCAERN c1c(CN2CCC[C@@H]2CN2CCOCC2)nnn1CC1CC1 ZINC000450444825 417227010 /nfs/dbraw/zinc/22/70/10/417227010.db2.gz ZSDQAVWKQTZAIS-MRXNPFEDSA-N 0 0 305.426 0.985 10 0 DCAERN CC(=O)N(C)C1CCN(c2ncnc3nc(N)ccc32)CC1 ZINC000408451392 417163499 /nfs/dbraw/zinc/16/34/99/417163499.db2.gz IRULNQJYHNFKDS-UHFFFAOYSA-N 0 0 300.366 1.054 10 0 DCAERN COc1ccc(-c2cnc(CCC(=O)NC(CO)CO)o2)cc1 ZINC000525953706 417167166 /nfs/dbraw/zinc/16/71/66/417167166.db2.gz BFVRKKWXXRJZHI-UHFFFAOYSA-N 0 0 320.345 0.752 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](C)N1CCNCC1=O ZINC000638022080 417284941 /nfs/dbraw/zinc/28/49/41/417284941.db2.gz QJUHZOHJOSPJIU-KGLIPLIRSA-N 0 0 319.405 0.528 10 0 DCAERN CC(=O)c1cn(CC(=O)NC[C@@]2(O)CCCC(C)(C)C2)nn1 ZINC000450994148 417291372 /nfs/dbraw/zinc/29/13/72/417291372.db2.gz BLVPLRKKBAGRAR-OAHLLOKOSA-N 0 0 308.382 0.928 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cc(C)nc3ncnn32)CC12COC2 ZINC000450558558 417239517 /nfs/dbraw/zinc/23/95/17/417239517.db2.gz JBFJKRJECRNLAQ-LLVKDONJSA-N 0 0 317.349 0.449 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncnc(N)c2Cl)CC12COC2 ZINC000450558963 417241113 /nfs/dbraw/zinc/24/11/13/417241113.db2.gz CWGLZCYCKVLYIS-QMMMGPOBSA-N 0 0 312.757 0.728 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H]1CCC(=O)N1 ZINC000527536986 417249849 /nfs/dbraw/zinc/24/98/49/417249849.db2.gz VVQUJVHSPJSROL-JSGCOSHPSA-N 0 0 301.346 0.359 10 0 DCAERN CCN1CCCN(C(=O)[C@@H]2OCC[C@@H]2Cn2ccnc2)CC1=O ZINC000621968727 417355506 /nfs/dbraw/zinc/35/55/06/417355506.db2.gz SPXGCHSAWHIBBB-UKRRQHHQSA-N 0 0 320.393 0.369 10 0 DCAERN CCOC[C@H]1CN(S(=O)(=O)c2ccccc2N)CCO1 ZINC000528535903 417356372 /nfs/dbraw/zinc/35/63/72/417356372.db2.gz JYTKSNZAXRTAFE-LLVKDONJSA-N 0 0 300.380 0.695 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139587 417305273 /nfs/dbraw/zinc/30/52/73/417305273.db2.gz SDZIDNGKOPSUPC-LBPRGKRZSA-N 0 0 320.393 0.626 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000633171290 417383540 /nfs/dbraw/zinc/38/35/40/417383540.db2.gz HDINEHNXRNDPAQ-CQDKDKBSSA-N 0 0 317.389 0.771 10 0 DCAERN C[C@@](O)(CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(F)(F)F ZINC000528781278 417390118 /nfs/dbraw/zinc/39/01/18/417390118.db2.gz LRHWLDLREQURLS-KXUCPTDWSA-N 0 0 301.330 0.951 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)C1 ZINC000622081761 417390056 /nfs/dbraw/zinc/39/00/56/417390056.db2.gz CGFAAMDGDOAWKV-CAOSSQGBSA-N 0 0 324.421 0.633 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000633307095 417403939 /nfs/dbraw/zinc/40/39/39/417403939.db2.gz IGJIMWRTFCHALE-CQSZACIVSA-N 0 0 324.402 0.717 10 0 DCAERN Cc1nnnn1-c1ccc(C(=O)NC[C@H](CO)C2CC2)c(F)c1 ZINC000451861545 417404980 /nfs/dbraw/zinc/40/49/80/417404980.db2.gz CUTAWYKHYNCEQG-LLVKDONJSA-N 0 0 319.340 0.858 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(C2CC2)C1 ZINC000627434041 417409704 /nfs/dbraw/zinc/40/97/04/417409704.db2.gz VNYNFJWNCQLTFH-UHFFFAOYSA-N 0 0 309.410 0.664 10 0 DCAERN CO[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cn[nH]n1 ZINC000622169971 417412017 /nfs/dbraw/zinc/41/20/17/417412017.db2.gz GFJXJESHWOCXCA-WCQYABFASA-N 0 0 321.381 0.148 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 ZINC000633434490 417427710 /nfs/dbraw/zinc/42/77/10/417427710.db2.gz NTZAEJKRZAMAMO-DZGCQCFKSA-N 0 0 317.345 0.861 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C2(N3CCOCC3)CC2)cn1 ZINC000633453080 417431880 /nfs/dbraw/zinc/43/18/80/417431880.db2.gz KJBACYBEKMWPNR-UHFFFAOYSA-N 0 0 318.377 0.868 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000438811572 287376259 /nfs/dbraw/zinc/37/62/59/287376259.db2.gz QBVVSHDCHZRJHI-UHFFFAOYSA-N 0 0 314.301 0.802 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000452633974 417495783 /nfs/dbraw/zinc/49/57/83/417495783.db2.gz KVEDCEZSNXFCET-DGCLKSJQSA-N 0 0 323.393 0.989 10 0 DCAERN C[C@H](OCc1ccncc1)C(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000633583962 417457782 /nfs/dbraw/zinc/45/77/82/417457782.db2.gz BPEMXOPDMNEYFA-IACUBPJLSA-N 0 0 317.349 0.023 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CN2CCCCC2=O)CC12COC2 ZINC000452220145 417460445 /nfs/dbraw/zinc/46/04/45/417460445.db2.gz HGMHUCBNIPVXIS-GFCCVEGCSA-N 0 0 324.377 0.037 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](CC)C(=O)OC)CC12COC2 ZINC000452265400 417464131 /nfs/dbraw/zinc/46/41/31/417464131.db2.gz QGIVKJXUDWZNHQ-WDEREUQCSA-N 0 0 313.350 0.224 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H](C)C2)CC12COC2 ZINC000452269905 417464282 /nfs/dbraw/zinc/46/42/82/417464282.db2.gz YHVDZJADMAEXGX-UPJWGTAASA-N 0 0 311.378 0.840 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCOCCOC)CC12COC2 ZINC000452270692 417464518 /nfs/dbraw/zinc/46/45/18/417464518.db2.gz ZRZRRFXBYRDVTN-GFCCVEGCSA-N 0 0 315.366 0.078 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000633677794 417477313 /nfs/dbraw/zinc/47/73/13/417477313.db2.gz QWVBTRUGTJJYAT-RYUDHWBXSA-N 0 0 303.353 0.843 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000633684990 417479440 /nfs/dbraw/zinc/47/94/40/417479440.db2.gz DDUHTGPCQAURHK-KBPBESRZSA-N 0 0 301.346 0.677 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1cn2c(n1)CCCC2 ZINC000644345515 417542267 /nfs/dbraw/zinc/54/22/67/417542267.db2.gz UXJBYSWJBUKBJC-ZDUSSCGKSA-N 0 0 320.393 0.209 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cn2)OCCO3)C(C)(C)C1 ZINC000575742840 417543777 /nfs/dbraw/zinc/54/37/77/417543777.db2.gz WOZZSLFKXBQIQE-UHFFFAOYSA-N 0 0 319.361 0.936 10 0 DCAERN COc1ncc(C)cc1NC(=O)CN1CCCC[C@@H](O)C1=O ZINC000644379146 417557260 /nfs/dbraw/zinc/55/72/60/417557260.db2.gz MTXPPOQFDHVXTP-GFCCVEGCSA-N 0 0 307.350 0.711 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCc2ccc(C(N)=O)nc21 ZINC000622935438 417518718 /nfs/dbraw/zinc/51/87/18/417518718.db2.gz XLSGLUCLZJAMSF-ZDUSSCGKSA-N 0 0 316.361 0.471 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000453738174 417529242 /nfs/dbraw/zinc/52/92/42/417529242.db2.gz MKYUGEMVOORNHP-VXGBXAGGSA-N 0 0 321.377 0.957 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)OC)CC12COC2 ZINC000454824546 417582290 /nfs/dbraw/zinc/58/22/90/417582290.db2.gz KLVRFMZOAIHNTQ-TUAOUCFPSA-N 0 0 314.382 0.631 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000530810372 417587993 /nfs/dbraw/zinc/58/79/93/417587993.db2.gz XBDJSVHKPLAZIH-QWRGUYRKSA-N 0 0 309.332 0.460 10 0 DCAERN Cn1cnc(NC(=O)NCC[C@@H]2COc3ccccc3O2)n1 ZINC000455588569 417611734 /nfs/dbraw/zinc/61/17/34/417611734.db2.gz UPLBHDQVJKAIOH-SNVBAGLBSA-N 0 0 303.322 1.167 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1N1CCO[C@@H](CO)C1 ZINC000167754067 545879037 /nfs/dbraw/zinc/87/90/37/545879037.db2.gz GTHZOCCMIKCMOJ-LLVKDONJSA-N 0 0 300.380 0.134 10 0 DCAERN CC(=O)N1CCN(CCc2nnnn2-c2ccccc2)[C@@H](C)C1 ZINC000531658422 417631645 /nfs/dbraw/zinc/63/16/45/417631645.db2.gz VHEKWAJQSDQGLH-ZDUSSCGKSA-N 0 0 314.393 0.757 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)[C@@H](C)C1 ZINC000532171107 417664973 /nfs/dbraw/zinc/66/49/73/417664973.db2.gz LVUOMBHWZOGHEO-JTQLQIEISA-N 0 0 316.361 0.972 10 0 DCAERN Cc1ncc2c(n1)CC[C@@H](NC(=O)N(C)Cc1nnnn1C)C2 ZINC000532318467 417672509 /nfs/dbraw/zinc/67/25/09/417672509.db2.gz STHRGCXZWIEALG-LLVKDONJSA-N 0 0 316.369 0.007 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)C1 ZINC000456937152 417672483 /nfs/dbraw/zinc/67/24/83/417672483.db2.gz OHXARAZVMOKULH-UHFFFAOYSA-N 0 0 321.343 0.950 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NC2(COC)CC2)c1 ZINC000532502315 417681247 /nfs/dbraw/zinc/68/12/47/417681247.db2.gz CYAXIKYKRLRVEW-UHFFFAOYSA-N 0 0 313.379 0.895 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCCOCC3CC3)C[C@H]21 ZINC000580474181 417705155 /nfs/dbraw/zinc/70/51/55/417705155.db2.gz SCIDISFZIKSNOG-HUUCEWRRSA-N 0 0 311.426 0.918 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000457922852 417708017 /nfs/dbraw/zinc/70/80/17/417708017.db2.gz HWACJPBOUGVXQV-LLVKDONJSA-N 0 0 322.258 0.712 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@@H]3COCCC3=O)ccc21 ZINC000628871106 417708109 /nfs/dbraw/zinc/70/81/09/417708109.db2.gz WLOOXIZFLOUPFI-CYBMUJFWSA-N 0 0 302.330 0.683 10 0 DCAERN CC(=O)N(CCC(=O)N[C@@H]1COCCC1=O)Cc1ccccc1 ZINC000628873543 417708117 /nfs/dbraw/zinc/70/81/17/417708117.db2.gz MVRXFIBFEGCICS-OAHLLOKOSA-N 0 0 318.373 0.899 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1COCCC1=O ZINC000628873562 417708647 /nfs/dbraw/zinc/70/86/47/417708647.db2.gz NDDJIUJPTYIUNY-JSGCOSHPSA-N 0 0 302.330 0.438 10 0 DCAERN COc1cccc([C@@H](C)NC(=O)c2nc(N)nc(N(C)C)n2)c1 ZINC000580900186 417723329 /nfs/dbraw/zinc/72/33/29/417723329.db2.gz PUFYYTJVODCIMF-SECBINFHSA-N 0 0 316.365 1.019 10 0 DCAERN C[C@H](OC1CCCCCC1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458134310 417723420 /nfs/dbraw/zinc/72/34/20/417723420.db2.gz JAXHYCYEVUVTJX-QWHCGFSZSA-N 0 0 310.398 0.883 10 0 DCAERN CS[C@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458125541 417723793 /nfs/dbraw/zinc/72/37/93/417723793.db2.gz BNAJCUOZKOJSKV-STQMWFEESA-N 0 0 306.391 0.860 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)C1 ZINC000581760616 417731231 /nfs/dbraw/zinc/73/12/31/417731231.db2.gz RIVRNLVBYRGSHZ-WCQYABFASA-N 0 0 306.366 1.458 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)nn1 ZINC000450424431 287449598 /nfs/dbraw/zinc/44/95/98/287449598.db2.gz KSGINAUUQCUZIM-YPMHNXCESA-N 0 0 308.382 0.736 10 0 DCAERN CN(CCCO)C(=O)C(=O)N1CCCN(c2ccccc2)CC1 ZINC000460030901 287509695 /nfs/dbraw/zinc/50/96/95/287509695.db2.gz AOIFKNFCXLFGKF-UHFFFAOYSA-N 0 0 319.405 0.566 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccn(C(C)C)n1 ZINC000487101472 287532269 /nfs/dbraw/zinc/53/22/69/287532269.db2.gz GYHBUZZOKMVSEV-WDEREUQCSA-N 0 0 324.381 0.650 10 0 DCAERN O=S(=O)(C1CCS(=O)(=O)CC1)N1CCc2ccccc21 ZINC000299483802 229145197 /nfs/dbraw/zinc/14/51/97/229145197.db2.gz DJALMOQEWKWPLW-UHFFFAOYSA-N 0 0 315.416 0.956 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000299744811 229385210 /nfs/dbraw/zinc/38/52/10/229385210.db2.gz PZSPHMJLXLLKRK-ZDUSSCGKSA-N 0 0 302.382 0.862 10 0 DCAERN CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H](O)C(N)=O)CC1 ZINC000299751237 229395120 /nfs/dbraw/zinc/39/51/20/229395120.db2.gz PZWIRJUGGRBWQE-LSDHHAIUSA-N 0 0 319.405 0.374 10 0 DCAERN Cc1nc(CN2CCC([C@H](O)C(N)=O)CC2)nc2ccccc12 ZINC000299753560 229399536 /nfs/dbraw/zinc/39/95/36/229399536.db2.gz YPULVMUJZDPZMJ-INIZCTEOSA-N 0 0 314.389 0.996 10 0 DCAERN CC(=O)NCCCNC(=O)NCCNC(=O)c1ccccc1 ZINC000029731227 261105027 /nfs/dbraw/zinc/10/50/27/261105027.db2.gz RSVSODFXSRIZTC-UHFFFAOYSA-N 0 0 306.366 0.242 10 0 DCAERN CN(C[C@H]1CCCOC1)C(=O)CCn1nc2ccccn2c1=O ZINC000111617108 261108485 /nfs/dbraw/zinc/10/84/85/261108485.db2.gz XPCRCAOTKHMEKR-CYBMUJFWSA-N 0 0 318.377 0.771 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCC(=O)NCC1CC1)c1ccccc1 ZINC000183487163 261116404 /nfs/dbraw/zinc/11/64/04/261116404.db2.gz NUNGUTNGSASJQJ-OAHLLOKOSA-N 0 0 317.389 0.896 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1c(C)noc1C1CC1 ZINC000184257093 261118918 /nfs/dbraw/zinc/11/89/18/261118918.db2.gz FBAVXXFIUHEUCI-SNVBAGLBSA-N 0 0 320.349 0.536 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC000188450313 261127832 /nfs/dbraw/zinc/12/78/32/261127832.db2.gz IQTNWZCPDPJURN-JSGCOSHPSA-N 0 0 311.426 0.862 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)NCCCn2ccnn2)c1 ZINC000188464330 261127837 /nfs/dbraw/zinc/12/78/37/261127837.db2.gz MPFHEOZSUWDQDS-OAHLLOKOSA-N 0 0 317.393 0.879 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cccc3ncccc32)C1 ZINC000188548641 261128909 /nfs/dbraw/zinc/12/89/09/261128909.db2.gz UMWXBDSFESGFMC-UHFFFAOYSA-N 0 0 305.359 0.744 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)NCC2CN(S(C)(=O)=O)C2)C1 ZINC000188584903 261129685 /nfs/dbraw/zinc/12/96/85/261129685.db2.gz VIXOVFXPKNGWEO-MNOVXSKESA-N 0 0 303.428 0.708 10 0 DCAERN CCc1nc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)sc1C ZINC000193001157 261140907 /nfs/dbraw/zinc/14/09/07/261140907.db2.gz PPMIEHQCBQNAIN-SECBINFHSA-N 0 0 324.406 0.689 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)NCCCN1CCCC1=O ZINC000193595879 261143237 /nfs/dbraw/zinc/14/32/37/261143237.db2.gz CNIUZSGKBHBMKW-LBPRGKRZSA-N 0 0 312.414 0.603 10 0 DCAERN Cc1ccc([C@H](C)NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000193637370 261143274 /nfs/dbraw/zinc/14/32/74/261143274.db2.gz LHWKFPQCZYACJM-VIFPVBQESA-N 0 0 320.349 0.101 10 0 DCAERN CCN(CCCNC(=O)[C@H]1CCOC[C@@H]1C)S(C)(=O)=O ZINC000194110480 261145144 /nfs/dbraw/zinc/14/51/44/261145144.db2.gz LUXPZUVJIYIHEG-RYUDHWBXSA-N 0 0 306.428 0.447 10 0 DCAERN Cn1cc(S(=O)(=O)NCc2noc(-c3ccccc3)n2)cn1 ZINC000194725525 261147656 /nfs/dbraw/zinc/14/76/56/261147656.db2.gz CDRZCMNIOVFAMI-UHFFFAOYSA-N 0 0 319.346 0.949 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000194783470 261148220 /nfs/dbraw/zinc/14/82/20/261148220.db2.gz JCLIBVCAOWWXMZ-KWQFWETISA-N 0 0 300.318 0.178 10 0 DCAERN CCOCCOCC(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000194858900 261148352 /nfs/dbraw/zinc/14/83/52/261148352.db2.gz WSFOGJLLLZSTEB-ZDUSSCGKSA-N 0 0 308.378 0.861 10 0 DCAERN O=C(NCCCS(=O)(=O)c1ccccc1)[C@@H]1CNC(=O)C1 ZINC000194831072 261148799 /nfs/dbraw/zinc/14/87/99/261148799.db2.gz KMXDGNOFVGDFDU-NSHDSACASA-N 0 0 310.375 0.103 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000194891726 261149512 /nfs/dbraw/zinc/14/95/12/261149512.db2.gz XZHPMDPZAKZAJY-KGLIPLIRSA-N 0 0 323.441 0.848 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000195158219 261150361 /nfs/dbraw/zinc/15/03/61/261150361.db2.gz YEIGEENUTBMQJI-FZMZJTMJSA-N 0 0 303.362 0.366 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCC([C@@H](C)O)CC1 ZINC000234557463 261154482 /nfs/dbraw/zinc/15/44/82/261154482.db2.gz LKFRQADYPXTXFG-RTXFEEFZSA-N 0 0 319.423 0.751 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)C1 ZINC000250092263 261166782 /nfs/dbraw/zinc/16/67/82/261166782.db2.gz QJDSOMHYJXEEAH-HZSPNIEDSA-N 0 0 312.410 0.491 10 0 DCAERN CN1C(=O)NC2(CCN(C(=O)c3cccc(O)c3)CC2)C1=O ZINC000357350683 261530304 /nfs/dbraw/zinc/53/03/04/261530304.db2.gz ANGBBZAUUIZCQJ-UHFFFAOYSA-N 0 0 303.318 0.549 10 0 DCAERN NC(=O)N[C@H]1CCN(S(=O)(=O)CCc2cccs2)C1 ZINC000357456930 261544017 /nfs/dbraw/zinc/54/40/17/261544017.db2.gz UWGASKBEUBMNQD-VIFPVBQESA-N 0 0 303.409 0.363 10 0 DCAERN CCN(CCC(=O)NCC(=O)c1ccccc1)CC(=O)OC ZINC000358048053 261620735 /nfs/dbraw/zinc/62/07/35/261620735.db2.gz SBAFTUNDAPXKAT-UHFFFAOYSA-N 0 0 306.362 0.871 10 0 DCAERN CCCCc1noc([C@@H](C)[S@@](=O)CCCS(N)(=O)=O)n1 ZINC000358211891 261649590 /nfs/dbraw/zinc/64/95/90/261649590.db2.gz OTPWXCNTCKGURD-HOGDKLEQSA-N 0 0 323.440 0.901 10 0 DCAERN COC(=O)CN1CCN(c2ncccc2C(=O)OC(C)C)CC1 ZINC000358250486 261653271 /nfs/dbraw/zinc/65/32/71/261653271.db2.gz WWGIARDECONMCF-UHFFFAOYSA-N 0 0 321.377 0.942 10 0 DCAERN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H](CO)C1CC1 ZINC000358298049 261656209 /nfs/dbraw/zinc/65/62/09/261656209.db2.gz DJKJRSHDVFQDOQ-GFCCVEGCSA-N 0 0 323.393 0.376 10 0 DCAERN COc1cccc(CCNC(=O)NCCCC(=O)NC2CC2)n1 ZINC000359173169 261725472 /nfs/dbraw/zinc/72/54/72/261725472.db2.gz HLMOEXAEJUNGAM-UHFFFAOYSA-N 0 0 320.393 0.991 10 0 DCAERN CCOc1ccccc1C(=O)NCC(=O)NC[C@@H](CO)C1CC1 ZINC000359779770 261767606 /nfs/dbraw/zinc/76/76/06/261767606.db2.gz YUFGVZYLGMIPHG-ZDUSSCGKSA-N 0 0 320.389 0.950 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(C(N)=O)CCCC1 ZINC000360373469 261826232 /nfs/dbraw/zinc/82/62/32/261826232.db2.gz RAGCDRSQKLSUHV-LBPRGKRZSA-N 0 0 317.389 0.967 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](C)COC ZINC000360467785 261834833 /nfs/dbraw/zinc/83/48/33/261834833.db2.gz KTFMTRBTNRERML-BJDJZHNGSA-N 0 0 316.398 0.478 10 0 DCAERN COC(=O)COCC(=O)Nc1cc2c(cc1F)nc[nH]c2=O ZINC000361135607 261899572 /nfs/dbraw/zinc/89/95/72/261899572.db2.gz MLNIKDAFFOCMMC-UHFFFAOYSA-N 0 0 309.253 0.603 10 0 DCAERN CO[C@@]1(CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)CCOC1 ZINC000361908939 261975647 /nfs/dbraw/zinc/97/56/47/261975647.db2.gz WSTWQGOZADJUAW-OAHLLOKOSA-N 0 0 324.381 0.404 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@H](C)n2cncn2)no1 ZINC000362311109 262020947 /nfs/dbraw/zinc/02/09/47/262020947.db2.gz AICFIDQBPPHSEN-QMMMGPOBSA-N 0 0 307.310 0.665 10 0 DCAERN c1nnc2c(N3CCCC[C@@H]3CN3CCOCC3)nccn12 ZINC000362319936 262022463 /nfs/dbraw/zinc/02/24/63/262022463.db2.gz QGJVCRPZNCRHRQ-CYBMUJFWSA-N 0 0 302.382 0.815 10 0 DCAERN Cc1oc(C(=O)N2CCOCC[C@@H]2C)cc1S(N)(=O)=O ZINC000362474272 262039311 /nfs/dbraw/zinc/03/93/11/262039311.db2.gz REMCEHHLWBWVRX-QMMMGPOBSA-N 0 0 302.352 0.486 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ncccc1C ZINC000362477779 262039617 /nfs/dbraw/zinc/03/96/17/262039617.db2.gz XUODQASBCTXZFS-MNOVXSKESA-N 0 0 322.365 0.968 10 0 DCAERN NC(=O)c1ccc(CC(=O)NCc2nnc3ccccn32)cc1 ZINC000362537219 262044183 /nfs/dbraw/zinc/04/41/83/262044183.db2.gz GMOCFHUCJQENHL-UHFFFAOYSA-N 0 0 309.329 0.687 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](CC2CCC2)NC(C)=O)C1 ZINC000362774600 262071394 /nfs/dbraw/zinc/07/13/94/262071394.db2.gz PXIUGSFJSLRMTF-KBPBESRZSA-N 0 0 324.425 0.601 10 0 DCAERN Cn1ccc(N2CC[C@@H](N(CCO)Cc3cccnc3)C2=O)n1 ZINC000362804229 262074682 /nfs/dbraw/zinc/07/46/82/262074682.db2.gz CMOQRHFDQVCFDY-CQSZACIVSA-N 0 0 315.377 0.415 10 0 DCAERN Cn1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1C(N)=O ZINC000362917885 262087077 /nfs/dbraw/zinc/08/70/77/262087077.db2.gz LKMGOYDDLFTLMR-QMMMGPOBSA-N 0 0 321.349 0.980 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1noc(C)n1 ZINC000363121101 262100288 /nfs/dbraw/zinc/10/02/88/262100288.db2.gz XQFUQNFIGXDFCL-CQSZACIVSA-N 0 0 314.345 0.968 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000363561227 262120378 /nfs/dbraw/zinc/12/03/78/262120378.db2.gz WFYODICOTRLZQU-UKRRQHHQSA-N 0 0 319.409 0.516 10 0 DCAERN CN(C)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cn1 ZINC000363845169 262134123 /nfs/dbraw/zinc/13/41/23/262134123.db2.gz AMOKATQAJIGFHR-ZDUSSCGKSA-N 0 0 305.382 0.696 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2CCN3CCOC[C@H]3C2)c1C ZINC000363856365 262135106 /nfs/dbraw/zinc/13/51/06/262135106.db2.gz OFRIHCPQUMSWKP-GFCCVEGCSA-N 0 0 321.377 0.575 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1F ZINC000363860077 262135225 /nfs/dbraw/zinc/13/52/25/262135225.db2.gz UEQLZDBAYCODRH-NSHDSACASA-N 0 0 322.340 0.473 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000363923554 262137222 /nfs/dbraw/zinc/13/72/22/262137222.db2.gz BOQOALUVCSTBOF-NWDGAFQWSA-N 0 0 320.411 0.227 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000374281249 262158307 /nfs/dbraw/zinc/15/83/07/262158307.db2.gz XJQSJEFHXGNGRL-CYBMUJFWSA-N 0 0 308.382 0.579 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 ZINC000412931797 262197219 /nfs/dbraw/zinc/19/72/19/262197219.db2.gz UOGMDIIXMKMRHP-SWLSCSKDSA-N 0 0 307.346 0.876 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccccc1 ZINC000195427827 270954563 /nfs/dbraw/zinc/95/45/63/270954563.db2.gz HFLSRKPVIDMPDD-UHFFFAOYSA-N 0 0 323.378 0.808 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H](CO)C1CC1 ZINC000358318167 271049381 /nfs/dbraw/zinc/04/93/81/271049381.db2.gz LUUUAXUHBCNQAY-YNEHKIRRSA-N 0 0 308.378 0.296 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCCn2cccn2)no1 ZINC000358779388 271071907 /nfs/dbraw/zinc/07/19/07/271071907.db2.gz ASHDZMXWGYRHTQ-SNVBAGLBSA-N 0 0 308.342 0.863 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](C(C)C)C(C)(C)O)C1 ZINC000359220892 271106991 /nfs/dbraw/zinc/10/69/91/271106991.db2.gz OBGFGEOFQMVHGM-NWDGAFQWSA-N 0 0 314.430 0.885 10 0 DCAERN COC(=O)[C@H](C1CC1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000359593913 271127290 /nfs/dbraw/zinc/12/72/90/271127290.db2.gz JGQLCCUZABVTKZ-AWEZNQCLSA-N 0 0 303.362 0.791 10 0 DCAERN COc1ncc(C)cc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000359959171 271151795 /nfs/dbraw/zinc/15/17/95/271151795.db2.gz LSCLAXPZZPOBGH-LBPRGKRZSA-N 0 0 306.366 0.947 10 0 DCAERN COc1ncc(C)cc1NC(=O)C(=O)N1CCOCC[C@H]1C ZINC000363894225 271206733 /nfs/dbraw/zinc/20/67/33/271206733.db2.gz KOAAVNDIEHVCMA-LLVKDONJSA-N 0 0 307.350 0.975 10 0 DCAERN OC[C@@H]1CCCCN1c1cc(NC[C@@H](O)C(F)F)ncn1 ZINC000435605360 271569352 /nfs/dbraw/zinc/56/93/52/271569352.db2.gz SLRMEFNYJYIPDQ-VHSXEESVSA-N 0 0 302.325 0.866 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N2CCSC[C@H]2CCO)CCC1 ZINC000438599960 271630894 /nfs/dbraw/zinc/63/08/94/271630894.db2.gz SUIKUPBYIZBMEJ-BIBXISHDSA-N 0 0 320.480 0.797 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c1 ZINC000442256419 271665304 /nfs/dbraw/zinc/66/53/04/271665304.db2.gz RSRWZHZTXHJCGR-LLVKDONJSA-N 0 0 309.297 0.120 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1 ZINC000445217801 271747440 /nfs/dbraw/zinc/74/74/40/271747440.db2.gz DQUYOVOLPNTDII-DTWKUNHWSA-N 0 0 311.354 0.637 10 0 DCAERN CCC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445946403 271751781 /nfs/dbraw/zinc/75/17/81/271751781.db2.gz JNTAZVDOULLAAX-LLVKDONJSA-N 0 0 311.363 0.820 10 0 DCAERN COC(=O)[C@]1(NC(=O)C(=O)c2ccc3c(c2)CCC3)CCOC1 ZINC000446488042 271760897 /nfs/dbraw/zinc/76/08/97/271760897.db2.gz IHGKARZLRMOGEU-KRWDZBQOSA-N 0 0 317.341 0.806 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)Nc1cc(OC)ccc1F ZINC000447129701 271775169 /nfs/dbraw/zinc/77/51/69/271775169.db2.gz VJQVUVZWFNTVOB-UHFFFAOYSA-N 0 0 319.358 0.895 10 0 DCAERN O=C(CCOc1ccccc1Cl)NC[C@@H](O)Cn1ccnn1 ZINC000458152428 271944330 /nfs/dbraw/zinc/94/43/30/271944330.db2.gz XQBICKHXANTTCM-LLVKDONJSA-N 0 0 324.768 0.878 10 0 DCAERN CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000458682514 271968095 /nfs/dbraw/zinc/96/80/95/271968095.db2.gz CSFKDSALXSCXOE-GMTAPVOTSA-N 0 0 307.416 0.181 10 0 DCAERN CC[C@@](COC)(NCC(=O)Nc1nc(C)cs1)C(=O)OC ZINC000459592190 272001905 /nfs/dbraw/zinc/00/19/05/272001905.db2.gz OVXOLFUELMERKW-ZDUSSCGKSA-N 0 0 315.395 0.948 10 0 DCAERN CN(C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C1CCCCC1 ZINC000459811657 272010727 /nfs/dbraw/zinc/01/07/27/272010727.db2.gz WQVVOVXJKFEIJV-QGZVFWFLSA-N 0 0 321.421 0.906 10 0 DCAERN CCCN(CC1CC1)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459831962 272014890 /nfs/dbraw/zinc/01/48/90/272014890.db2.gz JSXSUJPFPJJHDQ-KRWDZBQOSA-N 0 0 321.421 0.764 10 0 DCAERN CCCN(CC1CC1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000459843150 272015528 /nfs/dbraw/zinc/01/55/28/272015528.db2.gz ZWKTWLDRIXIGIV-CQSZACIVSA-N 0 0 309.410 0.178 10 0 DCAERN CC(C)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459951609 272021067 /nfs/dbraw/zinc/02/10/67/272021067.db2.gz LYOSKYSZDCIVEF-GUYCJALGSA-N 0 0 321.421 0.762 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(F)(F)F ZINC000487148961 272038717 /nfs/dbraw/zinc/03/87/17/272038717.db2.gz FLPPDRPZNHQGTI-SFYZADRCSA-N 0 0 312.288 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)COC ZINC000487165305 272039107 /nfs/dbraw/zinc/03/91/07/272039107.db2.gz YSSFTVWLCBKLEZ-VWYCJHECSA-N 0 0 302.371 0.232 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@H]1COCCO1 ZINC000489162152 272058260 /nfs/dbraw/zinc/05/82/60/272058260.db2.gz WZMMYLKBZDHJOK-LBPRGKRZSA-N 0 0 319.365 0.377 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@@H]1CCOC1 ZINC000489364254 272060851 /nfs/dbraw/zinc/06/08/51/272060851.db2.gz MEWAZRQPSCEFQV-LBPRGKRZSA-N 0 0 303.366 0.998 10 0 DCAERN COc1cc(C)cc(NC(=O)N2CCN(C(=O)CO)CC2)c1C ZINC000489728828 272065992 /nfs/dbraw/zinc/06/59/92/272065992.db2.gz PJKUJYQIYHREKQ-UHFFFAOYSA-N 0 0 321.377 0.980 10 0 DCAERN CC[C@@H](C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000491832041 272105270 /nfs/dbraw/zinc/10/52/70/272105270.db2.gz NGHZGCNBCPIZSS-GFCCVEGCSA-N 0 0 320.455 0.932 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000492255897 272119150 /nfs/dbraw/zinc/11/91/50/272119150.db2.gz FIJVQXTXDVECHX-UHFFFAOYSA-N 0 0 306.428 0.541 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCCSC ZINC000495204105 272240682 /nfs/dbraw/zinc/24/06/82/272240682.db2.gz UEBZICMVJHCUKP-NXEZZACHSA-N 0 0 319.427 0.495 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](CC)COC ZINC000495179364 272240828 /nfs/dbraw/zinc/24/08/28/272240828.db2.gz BONNVCIYWDEAJK-GARJFASQSA-N 0 0 317.386 0.167 10 0 DCAERN CCCCOCCNC(=O)C[S@](=O)Cc1cnc(C)nc1 ZINC000505746079 272393470 /nfs/dbraw/zinc/39/34/70/272393470.db2.gz RPMNSYXJVWVXED-OAQYLSRUSA-N 0 0 313.423 0.967 10 0 DCAERN Cn1nccc1[C@H]1CCCCN1C(=O)CN1CCCNC1=O ZINC000517538095 272468468 /nfs/dbraw/zinc/46/84/68/272468468.db2.gz IUTOYKSANSOSRD-CYBMUJFWSA-N 0 0 305.382 0.889 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000519713020 272508213 /nfs/dbraw/zinc/50/82/13/272508213.db2.gz RLZOQPKXELEQDG-YPMHNXCESA-N 0 0 307.394 0.515 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccsc2C)C1 ZINC000527295664 272610463 /nfs/dbraw/zinc/61/04/63/272610463.db2.gz ZQFULMDHXDWHFV-NSHDSACASA-N 0 0 302.421 0.749 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)N3CCC34CCC4)C2=O)cn1 ZINC000531439335 272762180 /nfs/dbraw/zinc/76/21/80/272762180.db2.gz ZFHCDJWWWIIPGD-LBPRGKRZSA-N 0 0 303.366 0.863 10 0 DCAERN COC(=O)c1cncc(C(=O)N2CCC[C@H](C(=O)OC)C2)c1 ZINC000538112253 287875391 /nfs/dbraw/zinc/87/53/91/287875391.db2.gz HENAEUSNZOTNLU-JTQLQIEISA-N 0 0 306.318 0.893 10 0 DCAERN CN1C[C@@H](NC(=O)COc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000538679526 287881030 /nfs/dbraw/zinc/88/10/30/287881030.db2.gz GAJMRUNHDBZDFV-SNVBAGLBSA-N 0 0 318.160 0.834 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)CC(=O)N1C ZINC000282606295 287924859 /nfs/dbraw/zinc/92/48/59/287924859.db2.gz QRXHGLQJPDELEZ-ZYHUDNBSSA-N 0 0 305.382 0.670 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)Cc1ccc(F)cc1F ZINC000541871016 287929741 /nfs/dbraw/zinc/92/97/41/287929741.db2.gz ULGXKJLZPUABMU-UHFFFAOYSA-N 0 0 317.321 0.450 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1cccc2c1OCCC2=O ZINC000541878709 287930060 /nfs/dbraw/zinc/93/00/60/287930060.db2.gz BKEPNFZHYQTVEN-UHFFFAOYSA-N 0 0 316.321 0.839 10 0 DCAERN CC(=O)Nc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000121975853 277067509 /nfs/dbraw/zinc/06/75/09/277067509.db2.gz QHHKPKBHWSZQBN-SNVBAGLBSA-N 0 0 310.375 0.904 10 0 DCAERN CN1Cc2ccccc2[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC000369081816 277211641 /nfs/dbraw/zinc/21/16/41/277211641.db2.gz CXOUYFAVQWMIKJ-CQSZACIVSA-N 0 0 303.362 0.148 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000372536240 278008666 /nfs/dbraw/zinc/00/86/66/278008666.db2.gz CDXSQKQMJHBCOO-CABCVRRESA-N 0 0 315.373 0.436 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365960385 278025739 /nfs/dbraw/zinc/02/57/39/278025739.db2.gz KCCKTOWITFUFTC-PMPSAXMXSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000277801010 278068610 /nfs/dbraw/zinc/06/86/10/278068610.db2.gz VPBUVWNOIYHNOC-HRCADAONSA-N 0 0 302.374 0.984 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)CC2 ZINC000181482351 278110431 /nfs/dbraw/zinc/11/04/31/278110431.db2.gz CZFGCFUFUVPIDU-GHMZBOCLSA-N 0 0 322.413 0.492 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)C1CCCC1 ZINC000408198482 278126262 /nfs/dbraw/zinc/12/62/62/278126262.db2.gz SNSRPJPRTRULLB-ZWNOBZJWSA-N 0 0 316.423 0.327 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H](n2cncn2)C1 ZINC000245832405 278147849 /nfs/dbraw/zinc/14/78/49/278147849.db2.gz SVUVOGXBLWOAAH-ZYHUDNBSSA-N 0 0 306.370 0.292 10 0 DCAERN CC1=CCN(CCNC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000546590144 288019140 /nfs/dbraw/zinc/01/91/40/288019140.db2.gz SCIQVFVIOPJBFS-UHFFFAOYSA-N 0 0 315.439 0.469 10 0 DCAERN CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2nnnn2C)C1 ZINC000408209005 278181697 /nfs/dbraw/zinc/18/16/97/278181697.db2.gz AXAMMCIABMYPDC-DTWKUNHWSA-N 0 0 306.292 0.242 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCc1n[nH]cc1Br ZINC000546731383 288028781 /nfs/dbraw/zinc/02/87/81/288028781.db2.gz UEJPLCMJFAAEFI-ZETCQYMHSA-N 0 0 323.216 0.991 10 0 DCAERN CC(=O)OC[C@H]1O[C@@H](F)[C@@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022059434 278219908 /nfs/dbraw/zinc/21/99/08/278219908.db2.gz OZIWIFNLCSFOGJ-IYKVGLELSA-N 0 0 310.249 0.445 10 0 in-vitro DCAERN C[C@@H](O)CN1CCN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC000175961400 278399753 /nfs/dbraw/zinc/39/97/53/278399753.db2.gz BJAMJVMZTHGNBN-CHWSQXEVSA-N 0 0 306.410 0.675 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cn(-c2cccnc2)nn1 ZINC000333555234 278423577 /nfs/dbraw/zinc/42/35/77/278423577.db2.gz NGABHANQPPYQIT-RYUDHWBXSA-N 0 0 300.366 0.827 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1O ZINC000408394132 278546379 /nfs/dbraw/zinc/54/63/79/278546379.db2.gz HXJBFRBNCRPNQM-NWDGAFQWSA-N 0 0 318.439 0.566 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000408466102 278671968 /nfs/dbraw/zinc/67/19/68/278671968.db2.gz IJIFLYUJPGHFFH-BFHYXJOUSA-N 0 0 312.410 0.632 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000547732401 288073566 /nfs/dbraw/zinc/07/35/66/288073566.db2.gz UQUQFCOAQHYKPM-SNVBAGLBSA-N 0 0 324.299 0.415 10 0 DCAERN COCCOC1CN(C(=O)[C@H]2CCCN2c2nccs2)C1 ZINC000547797170 288080479 /nfs/dbraw/zinc/08/04/79/288080479.db2.gz BDKGOPKXLBPQNQ-GFCCVEGCSA-N 0 0 311.407 0.986 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000285839173 279008807 /nfs/dbraw/zinc/00/88/07/279008807.db2.gz ARBDMSJSJJYFFV-GXFFZTMASA-N 0 0 305.382 0.283 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(N)=O)cn1C ZINC000189124797 279009142 /nfs/dbraw/zinc/00/91/42/279009142.db2.gz QKPMPQBZXZUPGX-LLVKDONJSA-N 0 0 306.366 0.111 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000547966952 288096728 /nfs/dbraw/zinc/09/67/28/288096728.db2.gz QDEWAQFUBFHOGX-CQSZACIVSA-N 0 0 314.426 0.751 10 0 DCAERN O=C(CN1CCOCC1=O)NCc1ncc(-c2ccccc2)o1 ZINC000548060323 288107593 /nfs/dbraw/zinc/10/75/93/288107593.db2.gz IERKWDJRRWJBMA-UHFFFAOYSA-N 0 0 315.329 0.817 10 0 DCAERN CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[C@H](OC)C3)CCN2C1=O ZINC000376997104 279250262 /nfs/dbraw/zinc/25/02/62/279250262.db2.gz KHDKDHNBSJQSIM-SRVKXCTJSA-N 0 0 324.381 0.232 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOCC3)C2)C1=O ZINC000173893321 279519947 /nfs/dbraw/zinc/51/99/47/279519947.db2.gz HXQKHKOATCZUMG-UONOGXRCSA-N 0 0 324.425 0.112 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000548411023 288140671 /nfs/dbraw/zinc/14/06/71/288140671.db2.gz KZHJIDYDGCENHZ-UHFFFAOYSA-N 0 0 318.337 0.652 10 0 DCAERN Nc1ncnc(N2CCN([C@@H]3CCCCNC3=O)CC2)c1Cl ZINC000365495797 279711265 /nfs/dbraw/zinc/71/12/65/279711265.db2.gz DXBLCMLXCCLNEI-SNVBAGLBSA-N 0 0 324.816 0.503 10 0 DCAERN COC(=O)C1(CNC(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000548599626 288158969 /nfs/dbraw/zinc/15/89/69/288158969.db2.gz SRMZIWGSGSIMGL-UHFFFAOYSA-N 0 0 319.365 0.261 10 0 DCAERN CC[C@@]1(CO)CCCN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000548614473 288159995 /nfs/dbraw/zinc/15/99/95/288159995.db2.gz DZPYXZCTGHLACP-OAHLLOKOSA-N 0 0 308.382 0.188 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccccc1CO ZINC000548717347 288170109 /nfs/dbraw/zinc/17/01/09/288170109.db2.gz ANWNCRMYNPXHAZ-KRWDZBQOSA-N 0 0 316.357 0.408 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000548721221 288171044 /nfs/dbraw/zinc/17/10/44/288171044.db2.gz GELDCULYPSWAFI-LBPRGKRZSA-N 0 0 324.299 0.007 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)COc3cnn(C)c3)CC2)c1 ZINC000548762644 288174008 /nfs/dbraw/zinc/17/40/08/288174008.db2.gz HWARYZVGPSDPQL-UHFFFAOYSA-N 0 0 315.377 0.851 10 0 DCAERN CO[C@@]1(CNC(=O)N[C@@H]2CCCc3nn(C)cc32)CCOC1 ZINC000548887383 288184871 /nfs/dbraw/zinc/18/48/71/288184871.db2.gz SOSLTNIZLLYCSP-IUODEOHRSA-N 0 0 308.382 0.902 10 0 DCAERN Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C)n1 ZINC000548922691 288187483 /nfs/dbraw/zinc/18/74/83/288187483.db2.gz MMOTWIPTEBXTMW-CYBMUJFWSA-N 0 0 314.393 0.706 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@]12CCCO2 ZINC000333959781 280052254 /nfs/dbraw/zinc/05/22/54/280052254.db2.gz KKBGDNAAJQWFLZ-OBJOEFQTSA-N 0 0 316.423 0.773 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408136020 280330406 /nfs/dbraw/zinc/33/04/06/280330406.db2.gz APEBFDCJFHBJMK-XQQFMLRXSA-N 0 0 318.439 0.730 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333214629 280363538 /nfs/dbraw/zinc/36/35/38/280363538.db2.gz VGABJBSXXUEFLD-VOAKCMCISA-N 0 0 300.424 0.961 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@H](C)S1(=O)=O ZINC000329432778 280391239 /nfs/dbraw/zinc/39/12/39/280391239.db2.gz IEYVABOSKPKJNU-DTWKUNHWSA-N 0 0 323.378 0.391 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccco2)C[C@@H]1N1CCOCC1 ZINC000188751880 288244281 /nfs/dbraw/zinc/24/42/81/288244281.db2.gz WEOGAVSXCIDVIA-NEPJUHHUSA-N 0 0 300.380 0.621 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)COCc2ncc(C)o2)C1 ZINC000552104519 288264718 /nfs/dbraw/zinc/26/47/18/288264718.db2.gz KWROYTUBFHQPKP-LLVKDONJSA-N 0 0 310.354 0.420 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)Cc1nnnn1C ZINC000328893557 288268483 /nfs/dbraw/zinc/26/84/83/288268483.db2.gz AIWKZPLYRWGKMS-VXGBXAGGSA-N 0 0 315.381 0.336 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552703340 288279196 /nfs/dbraw/zinc/27/91/96/288279196.db2.gz UAQFLSHUWNZLDR-NSHDSACASA-N 0 0 312.333 0.674 10 0 DCAERN CN1C[C@H](NC(=O)c2ncsc2Br)CC1=O ZINC000553090954 288286543 /nfs/dbraw/zinc/28/65/43/288286543.db2.gz FPMCEWBHBMDLLK-RXMQYKEDSA-N 0 0 304.169 0.866 10 0 DCAERN CC[C@H]1CN(C(=O)NCc2cccnc2-n2cncn2)CCO1 ZINC000046096062 281137421 /nfs/dbraw/zinc/13/74/21/281137421.db2.gz HHVBVYYUHMKGRS-ZDUSSCGKSA-N 0 0 316.365 0.983 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)COc2cnn(C)c2)[C@@]12CCCO2 ZINC000554528585 288326361 /nfs/dbraw/zinc/32/63/61/288326361.db2.gz BQFIVGSEAWEFKJ-GUTXKFCHSA-N 0 0 309.366 0.642 10 0 DCAERN Cn1cnc(CCNC(=O)N[C@@H]2CCCc3nn(C)cc32)n1 ZINC000554738617 288336902 /nfs/dbraw/zinc/33/69/02/288336902.db2.gz NAZDFHXEONGHEH-LLVKDONJSA-N 0 0 303.370 0.468 10 0 DCAERN O=C1[C@@H](N2CCn3nnc(CO)c3C2)CCN1c1ccccc1 ZINC000555878884 288364164 /nfs/dbraw/zinc/36/41/64/288364164.db2.gz PXASOWUYBCWKSL-AWEZNQCLSA-N 0 0 313.361 0.392 10 0 DCAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(S(=O)(=O)CC2CC2)C1 ZINC000556671308 288382202 /nfs/dbraw/zinc/38/22/02/288382202.db2.gz CQQNPCRFVPPJOT-MNOVXSKESA-N 0 0 300.384 0.615 10 0 DCAERN CC(=O)c1cnc(NC(=O)CN(C)S(=O)(=O)N(C)C)s1 ZINC000557615559 288425755 /nfs/dbraw/zinc/42/57/55/288425755.db2.gz SHQXKPSBVRNGIQ-UHFFFAOYSA-N 0 0 320.396 0.022 10 0 DCAERN Cn1ccc(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)n1 ZINC000560081942 288484623 /nfs/dbraw/zinc/48/46/23/288484623.db2.gz RDECFDLCXDXQIY-ZDUSSCGKSA-N 0 0 319.386 0.998 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560981627 288522750 /nfs/dbraw/zinc/52/27/50/288522750.db2.gz FPFJAFKLNHJSIO-UHFFFAOYSA-N 0 0 312.333 0.665 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000562032319 288556551 /nfs/dbraw/zinc/55/65/51/288556551.db2.gz ARQRWUXGUHEABA-LSDHHAIUSA-N 0 0 323.437 0.614 10 0 DCAERN O=C(Nc1cccc2c1CCO2)N[C@H]1CCCN(CCO)C1=O ZINC000562422785 288574592 /nfs/dbraw/zinc/57/45/92/288574592.db2.gz FKOKGUYTQCPPCM-ZDUSSCGKSA-N 0 0 319.361 0.726 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000124682874 288960699 /nfs/dbraw/zinc/96/06/99/288960699.db2.gz QSTHYFPBJVJOOY-DTWKUNHWSA-N 0 0 323.315 0.428 10 0 DCAERN C[C@@]1(NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS(=O)(=O)C1 ZINC000333218866 289203390 /nfs/dbraw/zinc/20/33/90/289203390.db2.gz WBYUBNGBRFFEJN-NOOOWODRSA-N 0 0 307.437 0.672 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000408424461 289228131 /nfs/dbraw/zinc/22/81/31/289228131.db2.gz CRRCWXNGCDDKBB-UHFFFAOYSA-N 0 0 318.439 0.828 10 0 DCAERN CN(C)S(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408031687 289257921 /nfs/dbraw/zinc/25/79/21/289257921.db2.gz OPXQLJCUZRGVKT-CMPLNLGQSA-N 0 0 301.412 0.268 10 0 DCAERN CN(C)S(=O)(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408031691 289257994 /nfs/dbraw/zinc/25/79/94/289257994.db2.gz OPXQLJCUZRGVKT-ZYHUDNBSSA-N 0 0 301.412 0.268 10 0 DCAERN CN1CCO[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000081043300 290100214 /nfs/dbraw/zinc/10/02/14/290100214.db2.gz QFOSOWPAOBGUEV-CABCVRRESA-N 0 0 311.426 0.030 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246571985 293057282 /nfs/dbraw/zinc/05/72/82/293057282.db2.gz SPHIDWJBGQSTFM-RWMBFGLXSA-N 0 0 306.428 0.004 10 0 DCAERN Cc1nn(C)c2sc(C(=O)N3CCO[C@H](C)[C@H]3C(N)=O)cc12 ZINC000284955370 293775198 /nfs/dbraw/zinc/77/51/98/293775198.db2.gz DBQHNXOJADYPIO-KCJUWKMLSA-N 0 0 322.390 0.658 10 0 DCAERN CO[C@@H]1O[C@H](COC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255969622 293981424 /nfs/dbraw/zinc/98/14/24/293981424.db2.gz DMXZHMAFWXQZAQ-RXGFPQBGSA-N 0 0 322.285 0.122 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000193880426 297050810 /nfs/dbraw/zinc/05/08/10/297050810.db2.gz KPWSLQPNZSKVGS-MGPQQGTHSA-N 0 0 317.455 0.511 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1(C)C ZINC000408103530 294035153 /nfs/dbraw/zinc/03/51/53/294035153.db2.gz BFXLEFGUTFHGIW-CKIKVBCHSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H](O)C(C)(C)C2)C[C@@H](C)O1 ZINC000312827712 297054512 /nfs/dbraw/zinc/05/45/12/297054512.db2.gz LVMOFKNMTPYRRC-UTUOFQBUSA-N 0 0 306.428 0.433 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000195316573 294284546 /nfs/dbraw/zinc/28/45/46/294284546.db2.gz FJVMENNLHMFYEB-ZIAGYGMSSA-N 0 0 320.455 0.538 10 0 DCAERN Cn1ccc([C@@H]2NC(=O)N([C@@H]3CC(=O)N(C(C)(C)C)C3)C2=O)n1 ZINC000330350148 294360504 /nfs/dbraw/zinc/36/05/04/294360504.db2.gz KSQPSIMXVZJNLU-SKDRFNHKSA-N 0 0 319.365 0.617 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000333225079 294641524 /nfs/dbraw/zinc/64/15/24/294641524.db2.gz SPJBKULZLPNONQ-RWMBFGLXSA-N 0 0 318.439 0.826 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000245741666 295119306 /nfs/dbraw/zinc/11/93/06/295119306.db2.gz GFSTZXGIZPUWDT-ZQIUZPCESA-N 0 0 300.358 0.603 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CC3(C2)CCCOC3)CCCC1 ZINC000330259950 295472867 /nfs/dbraw/zinc/47/28/67/295472867.db2.gz NVULWJASLDANKL-UHFFFAOYSA-N 0 0 301.408 0.983 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CCC1 ZINC000408314243 295473899 /nfs/dbraw/zinc/47/38/99/295473899.db2.gz RXTMWKQLEUJCQI-ZDUSSCGKSA-N 0 0 314.407 0.082 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)C1 ZINC000333438713 295542756 /nfs/dbraw/zinc/54/27/56/295542756.db2.gz JFXASKRHHUJYRI-XQHKEYJVSA-N 0 0 301.408 0.837 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681551 297090762 /nfs/dbraw/zinc/09/07/62/297090762.db2.gz YJMJKFUBJUVCNZ-UPJWGTAASA-N 0 0 300.424 0.506 10 0 DCAERN C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1C ZINC000154235204 297121961 /nfs/dbraw/zinc/12/19/61/297121961.db2.gz HOYPAUAHHUPBGS-NMWPEEMBSA-N 0 0 324.421 0.897 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000194270497 297141436 /nfs/dbraw/zinc/14/14/36/297141436.db2.gz GAQXJBZGHHYUSY-RBSFLKMASA-N 0 0 324.421 0.899 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCCNS(C)(=O)=O ZINC000117751745 297827079 /nfs/dbraw/zinc/82/70/79/297827079.db2.gz GJRSIONCTRGJKY-MFKMUULPSA-N 0 0 312.391 0.607 10 0 DCAERN C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N(C)CC(F)(F)F ZINC000408149244 298067339 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JWPFAWFRKTZNAK-UHFFFAOYSA-N 0 0 316.317 0.335 10 0 DCAERN Cc1cccc2c1OC[C@@H](NC(=O)N(C)[C@H]1CCNC1=O)C2 ZINC000332872064 332890306 /nfs/dbraw/zinc/89/03/06/332890306.db2.gz NUALTIZPZYJPDJ-STQMWFEESA-N 0 0 303.362 0.828 10 0 DCAERN Cc1ccc(CCNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000187078125 332957034 /nfs/dbraw/zinc/95/70/34/332957034.db2.gz WFKZNKOKJCLGLO-UHFFFAOYSA-N 0 0 302.378 0.853 10 0 DCAERN CO[C@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)CC[C@@H]1C ZINC000188130934 333037653 /nfs/dbraw/zinc/03/76/53/333037653.db2.gz PRUVZZRNLCXHPH-AAEUAGOBSA-N 0 0 308.382 0.812 10 0 DCAERN CC(C)CN1CCN(C(=O)c2ccc3nnn(C)c3c2)CC1=O ZINC000188642020 333050572 /nfs/dbraw/zinc/05/05/72/333050572.db2.gz HJLGAXLQOXDIMQ-UHFFFAOYSA-N 0 0 315.377 0.909 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCN1CCO ZINC000188810028 333055592 /nfs/dbraw/zinc/05/55/92/333055592.db2.gz FHQJMUWQNWSEHB-CYBMUJFWSA-N 0 0 320.389 0.987 10 0 DCAERN CC(C)OC1CCN(C(=O)C(=O)NCc2ccn(C)n2)CC1 ZINC000583582693 335746812 /nfs/dbraw/zinc/74/68/12/335746812.db2.gz XLJRLTSHTCEYNU-UHFFFAOYSA-N 0 0 308.382 0.452 10 0 DCAERN CN1CCN(C(=O)NCC[C@H]2COc3ccccc3O2)CC1=O ZINC000577255935 341900418 /nfs/dbraw/zinc/90/04/18/341900418.db2.gz GSEIDOBRYRTFMJ-LBPRGKRZSA-N 0 0 319.361 0.700 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CC(N2CCNC2=O)C1 ZINC000295852790 533891894 /nfs/dbraw/zinc/89/18/94/533891894.db2.gz DTKRROANOOXROW-UHFFFAOYSA-N 0 0 313.354 0.532 10 0 DCAERN Cc1cc(C)n2c(CN3CCN(S(C)(=O)=O)CC3)cnc2n1 ZINC000179785133 534124916 /nfs/dbraw/zinc/12/49/16/534124916.db2.gz ZWECVJUWSYBFDP-UHFFFAOYSA-N 0 0 323.422 0.423 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)C[C@@H](C)O1 ZINC000177280984 534304421 /nfs/dbraw/zinc/30/44/21/534304421.db2.gz UBXRNPGIIFTLJP-CKYFFXLPSA-N 0 0 310.316 0.621 10 0 DCAERN CC[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000458315761 517794222 /nfs/dbraw/zinc/79/42/22/517794222.db2.gz WPGKIHRMIWGSKT-OLZOCXBDSA-N 0 0 312.391 0.892 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCS1 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CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000190531188 519648296 /nfs/dbraw/zinc/64/82/96/519648296.db2.gz JSTVWBLULSVJDL-GFCCVEGCSA-N 0 0 305.309 0.598 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000190526034 519648755 /nfs/dbraw/zinc/64/87/55/519648755.db2.gz SYDWVIPOMFQPNO-KGLIPLIRSA-N 0 0 316.357 0.908 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnc3sc(C)c(C)n3c2=O)C1 ZINC000190503770 519648893 /nfs/dbraw/zinc/64/88/93/519648893.db2.gz YDODJRHRKMKMGH-UHFFFAOYSA-N 0 0 320.374 0.333 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cn(CC(C)C)cn2)C1 ZINC000188563755 519649479 /nfs/dbraw/zinc/64/94/79/519649479.db2.gz WZEYKVABWCQJFJ-UHFFFAOYSA-N 0 0 300.384 0.048 10 0 DCAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N(C)C)cc1)C(N)=O ZINC000189533708 519817912 /nfs/dbraw/zinc/81/79/12/519817912.db2.gz LCAQCJHSLAAHJL-LBPRGKRZSA-N 0 0 306.366 0.317 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000191593589 520196761 /nfs/dbraw/zinc/19/67/61/520196761.db2.gz 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/nfs/dbraw/zinc/55/58/18/534555818.db2.gz OYORXNFZTXQUDM-VWYCJHECSA-N 0 0 310.316 0.215 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@](C)(O)C3CC3)CC2)C1=O ZINC000367713674 521672194 /nfs/dbraw/zinc/67/21/94/521672194.db2.gz UUFGEJHTGMRGRI-MRXNPFEDSA-N 0 0 309.410 0.896 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@H]3CSCN3)CC2)C1=O ZINC000366358000 521672523 /nfs/dbraw/zinc/67/25/23/521672523.db2.gz XYZRDQVLNQFDOB-GFCCVEGCSA-N 0 0 312.439 0.397 10 0 DCAERN CCc1nc(CCNC(=O)N2CCN3CCOC[C@@H]3C2)cs1 ZINC000364856744 522268629 /nfs/dbraw/zinc/26/86/29/522268629.db2.gz OMMUNAQWYJOOHL-ZDUSSCGKSA-N 0 0 324.450 0.974 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](CO)CC(C)C)o1 ZINC000184577704 522273222 /nfs/dbraw/zinc/27/32/22/522273222.db2.gz AVPNBRQBBFJOGI-JTQLQIEISA-N 0 0 318.395 0.667 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000188541017 522758229 /nfs/dbraw/zinc/75/82/29/522758229.db2.gz RBJJPBHIORBRBL-KBPBESRZSA-N 0 0 321.352 0.838 10 0 DCAERN COC(=O)C1(C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000128085433 522807715 /nfs/dbraw/zinc/80/77/15/522807715.db2.gz ODGGJNQKGVTOLR-UHFFFAOYSA-N 0 0 304.350 0.469 10 0 DCAERN COC(=O)CCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122246483 522940512 /nfs/dbraw/zinc/94/05/12/522940512.db2.gz FNUXQDZKTSANKH-LBPRGKRZSA-N 0 0 306.366 0.857 10 0 DCAERN COc1ccc(-n2ccc(C(=O)N3CC(NC(C)=O)C3)n2)cc1 ZINC000191506564 523332435 /nfs/dbraw/zinc/33/24/35/523332435.db2.gz VVOUDPIRWRFGFA-UHFFFAOYSA-N 0 0 314.345 0.841 10 0 DCAERN Cc1cccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1C ZINC000275769677 534709448 /nfs/dbraw/zinc/70/94/48/534709448.db2.gz RECGRJYBDFIDAA-INIZCTEOSA-N 0 0 305.422 0.921 10 0 DCAERN COC(=O)NCCCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126755757 523451333 /nfs/dbraw/zinc/45/13/33/523451333.db2.gz HWLNPUOAXQOWBX-LBPRGKRZSA-N 0 0 309.370 0.653 10 0 DCAERN CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000158500613 523747879 /nfs/dbraw/zinc/74/78/79/523747879.db2.gz GPULEGKLODJTTL-KCJUWKMLSA-N 0 0 320.271 0.500 10 0 DCAERN CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1 ZINC000104195925 523881710 /nfs/dbraw/zinc/88/17/10/523881710.db2.gz PEWHVNTVZCGTEW-UHFFFAOYSA-N 0 0 306.757 0.703 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@H]2C(C)C)cn1 ZINC000187158101 523900720 /nfs/dbraw/zinc/90/07/20/523900720.db2.gz SOCNEUMLWFQZCF-STQMWFEESA-N 0 0 308.382 0.876 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)C1 ZINC000118115918 523937313 /nfs/dbraw/zinc/93/73/13/523937313.db2.gz NEBOJOAWCRVDGT-JTQLQIEISA-N 0 0 313.304 0.350 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130226775 523949125 /nfs/dbraw/zinc/94/91/25/523949125.db2.gz KKSLOLZLILYAKJ-CQSZACIVSA-N 0 0 316.365 0.719 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000128083937 523989099 /nfs/dbraw/zinc/98/90/99/523989099.db2.gz CYZAYOKBYVQCOM-UHFFFAOYSA-N 0 0 309.341 0.031 10 0 DCAERN CN1C[C@@H](NC(=O)NC[C@@H](O)Cc2ccccc2)CCC1=O ZINC000128687168 524010602 /nfs/dbraw/zinc/01/06/02/524010602.db2.gz STIWBYWZPIDFSA-KBPBESRZSA-N 0 0 305.378 0.510 10 0 DCAERN CN1C[C@H](NC(=O)N2CCO[C@H](c3nccs3)C2)CC1=O ZINC000267624597 524022930 /nfs/dbraw/zinc/02/29/30/524022930.db2.gz LLLNRCBOUVZXMV-ZJUUUORDSA-N 0 0 310.379 0.457 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2F)CCC1=O ZINC000128611607 524023892 /nfs/dbraw/zinc/02/38/92/524023892.db2.gz ZNWORAWXTNDBCT-ZWNOBZJWSA-N 0 0 309.341 0.779 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@@H]2C)cn1 ZINC000154120617 524076225 /nfs/dbraw/zinc/07/62/25/524076225.db2.gz YJOHOKVRMSCFMS-MNOVXSKESA-N 0 0 321.381 0.215 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)nc(C(F)(F)F)n1 ZINC000188815804 524091171 /nfs/dbraw/zinc/09/11/71/524091171.db2.gz ANTKXCFOGICDDQ-SECBINFHSA-N 0 0 318.299 0.864 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000163642183 534765034 /nfs/dbraw/zinc/76/50/34/534765034.db2.gz RBRMLCAQLTXIEV-MWLCHTKSSA-N 0 0 304.350 0.441 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000188163344 524466554 /nfs/dbraw/zinc/46/65/54/524466554.db2.gz DAUMKGRRUMGLKY-CABCVRRESA-N 0 0 319.405 0.818 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)no1 ZINC000264638355 524809054 /nfs/dbraw/zinc/80/90/54/524809054.db2.gz UMJSXHZJPFCDLX-NSHDSACASA-N 0 0 301.368 0.365 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(Cl)c1 ZINC000124414859 524881264 /nfs/dbraw/zinc/88/12/64/524881264.db2.gz NPOQKFKFFYVMHJ-VIFPVBQESA-N 0 0 311.769 0.722 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C3(O)CCC3)C2=O)n(C)n1 ZINC000187485714 525071616 /nfs/dbraw/zinc/07/16/16/525071616.db2.gz IIPWWYWOWVNNKE-NSHDSACASA-N 0 0 306.366 0.255 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCCN3C)C2=O)n(C)n1 ZINC000266315147 525072101 /nfs/dbraw/zinc/07/21/01/525072101.db2.gz FJYZEZFMFNDOKV-STQMWFEESA-N 0 0 319.409 0.434 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)[C@H](C)CO ZINC000247336843 525236778 /nfs/dbraw/zinc/23/67/78/525236778.db2.gz YIKLNLLBFGPZBT-UPJWGTAASA-N 0 0 307.398 0.762 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCCOC[C@H]1CCOC1 ZINC000154528354 525357362 /nfs/dbraw/zinc/35/73/62/525357362.db2.gz IKJROBXVZZBUMJ-CHWSQXEVSA-N 0 0 324.377 0.957 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)[C@H](CO)CC(C)C ZINC000191091020 525569989 /nfs/dbraw/zinc/56/99/89/525569989.db2.gz DCNVDVYXSIVABA-LBPRGKRZSA-N 0 0 323.393 0.498 10 0 DCAERN CSC[C@H](CCO)Nc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000156845767 525700563 /nfs/dbraw/zinc/70/05/63/525700563.db2.gz CMNRZUMIOJFSMY-NWDGAFQWSA-N 0 0 312.439 0.964 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000156744386 525722267 /nfs/dbraw/zinc/72/22/67/525722267.db2.gz DGGFZRLSWBLIKA-ABAIWWIYSA-N 0 0 304.346 0.214 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@@H]1C ZINC000245979136 525758299 /nfs/dbraw/zinc/75/82/99/525758299.db2.gz AOTOGHFCMIJZQN-RYUDHWBXSA-N 0 0 322.413 0.461 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000126870945 525764917 /nfs/dbraw/zinc/76/49/17/525764917.db2.gz HBMQEBWADJSZFT-SNVBAGLBSA-N 0 0 303.322 0.093 10 0 DCAERN COc1cccc(C(=O)NCCC(=O)N2CCOCC2)c1F ZINC000120741230 525816673 /nfs/dbraw/zinc/81/66/73/525816673.db2.gz KOKBORUBRLOSCR-UHFFFAOYSA-N 0 0 310.325 0.813 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000188924130 526203136 /nfs/dbraw/zinc/20/31/36/526203136.db2.gz AFUHFHXKPOHTOG-DGCLKSJQSA-N 0 0 307.394 0.372 10 0 DCAERN Cc1csc(CCCCNC(=O)C[C@@H]2NC(=O)NC2=O)n1 ZINC000131336392 526336094 /nfs/dbraw/zinc/33/60/94/526336094.db2.gz YBKWYHBPAKCXQH-VIFPVBQESA-N 0 0 310.379 0.489 10 0 DCAERN Cc1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)[nH]c1C ZINC000156535888 526644713 /nfs/dbraw/zinc/64/47/13/526644713.db2.gz NTCVXCYSWNJKRO-MFKMUULPSA-N 0 0 320.393 0.179 10 0 DCAERN O=C(NCc1ccc(F)cc1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189387533 526669973 /nfs/dbraw/zinc/66/99/73/526669973.db2.gz DLXCAGRCSCGBOQ-UHFFFAOYSA-N 0 0 319.336 0.179 10 0 DCAERN Cc1nsc(N2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000119505564 526712223 /nfs/dbraw/zinc/71/22/23/526712223.db2.gz FWLHJSHXBMVSCN-JTQLQIEISA-N 0 0 318.468 0.649 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884930 526760045 /nfs/dbraw/zinc/76/00/45/526760045.db2.gz LRFAVRQJCLMQGC-LLVKDONJSA-N 0 0 317.401 0.157 10 0 DCAERN NC(=O)C1(CNC(=O)c2cnn3c2CCCC3)CCOCC1 ZINC000126986955 526847583 /nfs/dbraw/zinc/84/75/83/526847583.db2.gz UBRBDVZPJJXPOH-UHFFFAOYSA-N 0 0 306.366 0.231 10 0 DCAERN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)N1CC(CO)C1 ZINC000190600203 526856730 /nfs/dbraw/zinc/85/67/30/526856730.db2.gz QWZYCRXHOWIXTC-INIZCTEOSA-N 0 0 319.405 0.694 10 0 DCAERN NC(=O)NCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000191568864 526933399 /nfs/dbraw/zinc/93/33/99/526933399.db2.gz CRMOELPYCJCCPR-LBPRGKRZSA-N 0 0 322.340 0.101 10 0 DCAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1nnnn1CC(F)(F)F ZINC000191450971 527117116 /nfs/dbraw/zinc/11/71/16/527117116.db2.gz XQSRKPQAVKXORV-YUMQZZPRSA-N 0 0 315.255 0.687 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)cn1 ZINC000154450332 527243500 /nfs/dbraw/zinc/24/35/00/527243500.db2.gz SBQFQIRWKOOLOO-CHWSQXEVSA-N 0 0 319.409 0.374 10 0 DCAERN O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC(CO)C1 ZINC000185756541 527278579 /nfs/dbraw/zinc/27/85/79/527278579.db2.gz XZKYKZVLPDUSEE-UHFFFAOYSA-N 0 0 307.318 0.943 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000187681870 527299220 /nfs/dbraw/zinc/29/92/20/527299220.db2.gz AOTDGWTVCPPGFH-CYBMUJFWSA-N 0 0 319.405 0.826 10 0 DCAERN Cn1cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)cn1 ZINC000267510081 527320571 /nfs/dbraw/zinc/32/05/71/527320571.db2.gz BPWDBQGJRSKJIL-GFCCVEGCSA-N 0 0 300.384 0.134 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H]1CCc2ncnn2C1 ZINC000137248576 527363281 /nfs/dbraw/zinc/36/32/81/527363281.db2.gz WBVXXDIOYLSGAH-CYBMUJFWSA-N 0 0 323.360 0.668 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000156180745 527586088 /nfs/dbraw/zinc/58/60/88/527586088.db2.gz HRLDHIMDKOAIAZ-JTQLQIEISA-N 0 0 320.397 0.719 10 0 DCAERN O=C(NCCCCCO)N[C@H]1CCCN(c2ncccn2)C1 ZINC000193032532 527642713 /nfs/dbraw/zinc/64/27/13/527642713.db2.gz RPNYRZNTTFUOBF-ZDUSSCGKSA-N 0 0 307.398 0.907 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCCCS(C)(=O)=O)cc21 ZINC000185216908 527647123 /nfs/dbraw/zinc/64/71/23/527647123.db2.gz FOOSNNKBBOPMHV-UHFFFAOYSA-N 0 0 324.406 0.913 10 0 DCAERN CCO[C@@H]1C[C@](CO)(NC(=O)CCCCC(N)=O)C1(C)C ZINC000188866491 527969581 /nfs/dbraw/zinc/96/95/81/527969581.db2.gz JIICOEPJTVNORF-IAQYHMDHSA-N 0 0 300.399 0.714 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2nccnc2OC(C)C)C1 ZINC000302152725 528372031 /nfs/dbraw/zinc/37/20/31/528372031.db2.gz MHPXHLYHGITZPB-LLVKDONJSA-N 0 0 314.411 0.782 10 0 DCAERN CC(C)[C@@H](CNC(=O)N(C)CC1(CO)CC1)N1CCOCC1 ZINC000186860601 528450388 /nfs/dbraw/zinc/45/03/88/528450388.db2.gz XMXSTFYEBSNZPW-CQSZACIVSA-N 0 0 313.442 0.757 10 0 DCAERN CCCc1noc(CCCC(=O)N2CCN(CCO)[C@@H](C)C2)n1 ZINC000188786877 528782668 /nfs/dbraw/zinc/78/26/68/528782668.db2.gz BQDNTLMSEYXEND-ZDUSSCGKSA-N 0 0 324.425 0.870 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000178878392 528890804 /nfs/dbraw/zinc/89/08/04/528890804.db2.gz KBFTVVZRFPSYJC-SNVBAGLBSA-N 0 0 323.397 0.651 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(CC)OC)C1 ZINC000454691846 535791818 /nfs/dbraw/zinc/79/18/18/535791818.db2.gz ZXUFAULQBYCMKK-RISCZKNCSA-N 0 0 300.403 0.905 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n(C)n1 ZINC000284593628 536151783 /nfs/dbraw/zinc/15/17/83/536151783.db2.gz MMFIWSBRRHLGPH-CHWSQXEVSA-N 0 0 307.398 0.919 10 0 DCAERN CNC(=O)NC1CN(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000283689995 536330511 /nfs/dbraw/zinc/33/05/11/536330511.db2.gz OWPYRMSVDCUNQS-UHFFFAOYSA-N 0 0 306.370 0.042 10 0 DCAERN COc1ncc(NC(=O)C(=O)N2CCC23CCC3)cc1C(N)=O ZINC000441538544 537139743 /nfs/dbraw/zinc/13/97/43/537139743.db2.gz DPFRSGHLUMOBSM-UHFFFAOYSA-N 0 0 318.333 0.283 10 0 DCAERN CC(C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079096159 545686193 /nfs/dbraw/zinc/68/61/93/545686193.db2.gz BWFGQEUXVKENHX-UHFFFAOYSA-N 0 0 302.334 0.568 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000091782825 545720640 /nfs/dbraw/zinc/72/06/40/545720640.db2.gz WGPWGZKPJDPUHW-ZDUSSCGKSA-N 0 0 305.309 0.562 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000126847505 545773747 /nfs/dbraw/zinc/77/37/47/545773747.db2.gz NPGIZXYRXFSFSB-RNCFNFMXSA-N 0 0 310.375 0.520 10 0 DCAERN C[C@@H]1CC[C@@H](CCC(=O)NC[C@H](O)CN2CCOCC2)O1 ZINC000133132009 545797570 /nfs/dbraw/zinc/79/75/70/545797570.db2.gz QEGAMNILBPMPBQ-RDBSUJKOSA-N 0 0 300.399 0.143 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000152095991 545821748 /nfs/dbraw/zinc/82/17/48/545821748.db2.gz GIQTVIBFXRKNRT-NSHDSACASA-N 0 0 316.365 0.764 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)C[C@@H](C)O1 ZINC000177831883 545892731 /nfs/dbraw/zinc/89/27/31/545892731.db2.gz QZCNKOQWEZZEII-GHMZBOCLSA-N 0 0 306.366 0.867 10 0 DCAERN O=C(CN1CCCCCCC1=O)NC[C@]1(CCO)CCOC1 ZINC000178088205 545893868 /nfs/dbraw/zinc/89/38/68/545893868.db2.gz FYQWGSJUHMQJTN-INIZCTEOSA-N 0 0 312.410 0.684 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179360170 545899332 /nfs/dbraw/zinc/89/93/32/545899332.db2.gz QGNRHKGSOIVSCE-LLVKDONJSA-N 0 0 302.334 0.698 10 0 DCAERN COc1cc(C)ccc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000181783962 545904638 /nfs/dbraw/zinc/90/46/38/545904638.db2.gz OZIVEYUIVKCUFF-UHFFFAOYSA-N 0 0 317.349 0.740 10 0 DCAERN C[C@H]1CN(C(=O)NCCCn2ccnn2)C[C@@H]1N1CCOCC1 ZINC000182477281 545905369 /nfs/dbraw/zinc/90/53/69/545905369.db2.gz YBZOUQDRVFEYAP-KBPBESRZSA-N 0 0 322.413 0.030 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)N(Cc1cncnc1)CC2 ZINC000191556301 545925690 /nfs/dbraw/zinc/92/56/90/545925690.db2.gz DQMKAKSCESXRLY-UHFFFAOYSA-N 0 0 304.375 0.947 10 0 DCAERN O=C(NCC1CC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000191904054 545927063 /nfs/dbraw/zinc/92/70/63/545927063.db2.gz ACPGKFCRVMBIOR-NSHDSACASA-N 0 0 322.796 0.956 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCCC(=O)N1 ZINC000332752410 546059149 /nfs/dbraw/zinc/05/91/49/546059149.db2.gz CMOXKKBMQCMUAO-YPMHNXCESA-N 0 0 307.394 0.705 10 0 DCAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cnn2c1OCCC2 ZINC000333136232 546072770 /nfs/dbraw/zinc/07/27/70/546072770.db2.gz IOJQPJSCVPZKAZ-GHMZBOCLSA-N 0 0 315.395 0.495 10 0 DCAERN C[C@H](CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333143695 546073212 /nfs/dbraw/zinc/07/32/12/546073212.db2.gz JTRLVUJWPOWGAG-YIYPIFLZSA-N 0 0 302.440 0.815 10 0 DCAERN C[C@@H](CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333143694 546073671 /nfs/dbraw/zinc/07/36/71/546073671.db2.gz JTRLVUJWPOWGAG-RFQIPJPRSA-N 0 0 302.440 0.815 10 0 DCAERN COC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CCCO1 ZINC000333320331 546077094 /nfs/dbraw/zinc/07/70/94/546077094.db2.gz PHKDCLFBMCEIMT-QHSBEEBCSA-N 0 0 323.393 0.808 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2C[C@H](F)C[C@@H]2CO)cn1 ZINC000333380155 546079439 /nfs/dbraw/zinc/07/94/39/546079439.db2.gz KJJUQPACRZKUAD-LPWJVIDDSA-N 0 0 312.345 0.364 10 0 DCAERN Cc1nc(C)n(C2CN(C(=O)[C@@H]3OC[C@H]4COCC[C@H]43)C2)n1 ZINC000333509798 546083407 /nfs/dbraw/zinc/08/34/07/546083407.db2.gz UCXOMFJMDJABLL-MRVWCRGKSA-N 0 0 306.366 0.330 10 0 DCAERN C[C@@]12CN(C(=O)CN3CCCS3(=O)=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333552246 546084569 /nfs/dbraw/zinc/08/45/69/546084569.db2.gz UWGXMWKXNRPVBN-OSFYFWSMSA-N 0 0 312.435 0.917 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](N[C@@H]1CCCOC1)C(F)(F)F ZINC000336811426 546098486 /nfs/dbraw/zinc/09/84/86/546098486.db2.gz MXLFTAZAARFKRO-RKDXNWHRSA-N 0 0 304.334 0.577 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)c2nscc2Br)C1=O ZINC000404953090 546228799 /nfs/dbraw/zinc/22/87/99/546228799.db2.gz QDWBXJPIOKOWCP-RXMQYKEDSA-N 0 0 318.152 0.393 10 0 DCAERN O[C@@]1(Cn2ccnn2)CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000671465959 547218793 /nfs/dbraw/zinc/21/87/93/547218793.db2.gz CDBPXJMQXBKBQD-NSHDSACASA-N 0 0 314.271 0.728 10 0 DCAERN Cn1c2ccccc2nc1CN1CC[C@](O)(Cn2ccnn2)C1 ZINC000671492193 547225337 /nfs/dbraw/zinc/22/53/37/547225337.db2.gz CGLBVONQOSAPDZ-MRXNPFEDSA-N 0 0 312.377 0.802 10 0 DCAERN Cc1c[nH]nc1C(=O)N1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000685942906 548747823 /nfs/dbraw/zinc/74/78/23/548747823.db2.gz SRFJFWFVIYZHKX-JTQLQIEISA-N 0 0 316.365 0.909 10 0 DCAERN CSCC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000050027886 571769680 /nfs/dbraw/zinc/76/96/80/571769680.db2.gz KYPMKDGKAYQCHO-VXGBXAGGSA-N 0 0 312.391 0.585 10 0 endogenous,in-man DCAERN COc1cc(OC)c(OC)cc1CN[C@@H]1CCS(=O)(=O)C1 ZINC000021811980 660938461 /nfs/dbraw/zinc/93/84/61/660938461.db2.gz LLPBMTUXLBEROH-LLVKDONJSA-N 0 0 315.391 0.989 10 0 DCAERN O=C(c1cn([C@@H]2COC[C@H]2O)nn1)N1CCc2ccccc2C1 ZINC000888093725 661157624 /nfs/dbraw/zinc/15/76/24/661157624.db2.gz PSJCFDBQHFGREM-HUUCEWRRSA-N 0 0 314.345 0.409 10 0 DCAERN CCN(CC(F)(F)F)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093621 661158899 /nfs/dbraw/zinc/15/88/99/661158899.db2.gz LERUDEQADKHXIB-RKDXNWHRSA-N 0 0 308.260 0.235 10 0 DCAERN COc1cc(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)nn1C ZINC000888095114 661165037 /nfs/dbraw/zinc/16/50/37/661165037.db2.gz QAAVYASPMJHFBX-WCQYABFASA-N 0 0 319.365 0.892 10 0 DCAERN CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000888105403 661221923 /nfs/dbraw/zinc/22/19/23/661221923.db2.gz ZVTMJQQDUANGGO-JSJZCHLLSA-N 0 0 305.378 0.148 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1ccc(OC(F)(F)F)cc1 ZINC000722503565 661283332 /nfs/dbraw/zinc/28/33/32/661283332.db2.gz WIVXWTXTKGDDEH-SSDOTTSWSA-N 0 0 312.269 0.767 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000343568593 657539979 /nfs/dbraw/zinc/53/99/79/657539979.db2.gz AFQKOHJTYWXOBC-WCBMZHEXSA-N 0 0 302.396 0.754 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CC(N)=O)C(C)(C)C ZINC000255120706 657600686 /nfs/dbraw/zinc/60/06/86/657600686.db2.gz NGUBXMLHKVUQJH-NSHDSACASA-N 0 0 321.425 0.800 10 0 DCAERN O=C(NC1(CO)CC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000160239546 657632552 /nfs/dbraw/zinc/63/25/52/657632552.db2.gz IRUFKXRWAYAIFQ-UHFFFAOYSA-N 0 0 301.346 0.806 10 0 DCAERN CC(C)C[C@@H]1NC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246868967 657649576 /nfs/dbraw/zinc/64/95/76/657649576.db2.gz GABZZYNUFKXXNF-KGLIPLIRSA-N 0 0 324.425 0.317 10 0 DCAERN CC(C)(CNCc1nnn(C(C)(C)C)n1)CS(C)(=O)=O ZINC000723850476 657654670 /nfs/dbraw/zinc/65/46/70/657654670.db2.gz LTXRRLSEALMSSE-UHFFFAOYSA-N 0 0 303.432 0.589 10 0 DCAERN Cn1ncc(NCC(C)(C)CS(C)(=O)=O)c(Cl)c1=O ZINC000723882680 657716932 /nfs/dbraw/zinc/71/69/32/657716932.db2.gz LMLYXDSWWBFCDF-UHFFFAOYSA-N 0 0 307.803 0.916 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000176142823 657889832 /nfs/dbraw/zinc/88/98/32/657889832.db2.gz LAVSDTYAVHPSAG-CHWSQXEVSA-N 0 0 302.330 0.853 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1C ZINC000168650134 657957560 /nfs/dbraw/zinc/95/75/60/657957560.db2.gz YCPZKERCJBGTDJ-GFCCVEGCSA-N 0 0 315.391 0.776 10 0 DCAERN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC[C@@H]1CO ZINC000168677967 657963596 /nfs/dbraw/zinc/96/35/96/657963596.db2.gz DEJJCGVWDFERQQ-AWEZNQCLSA-N 0 0 311.403 0.947 10 0 DCAERN O=S(=O)(c1cccc2cnccc21)N1CCOC[C@@H]1CO ZINC000168675181 657963910 /nfs/dbraw/zinc/96/39/10/657963910.db2.gz NEXSUBXMSLPOCX-LBPRGKRZSA-N 0 0 308.359 0.617 10 0 DCAERN Cn1ncc(N[C@@H]2CC23CC(O)C3)c(Br)c1=O ZINC000724992499 657987263 /nfs/dbraw/zinc/98/72/63/657987263.db2.gz IWRRMJJQJNHGEW-NUQKGASQSA-N 0 0 300.156 0.868 10 0 DCAERN CO[C@H]1CC[C@@H]1N(C)C(=O)c1c(Br)nnn1C ZINC000724220033 658066921 /nfs/dbraw/zinc/06/69/21/658066921.db2.gz RGGAIVLYGVRRNS-BQBZGAKWSA-N 0 0 303.160 0.827 10 0 DCAERN Cc1ccc(NC(=O)C[C@H]2CNCCS2(=O)=O)c(F)c1 ZINC000725061036 658094746 /nfs/dbraw/zinc/09/47/46/658094746.db2.gz NQMUDGUEZLIPEK-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000188156752 658144608 /nfs/dbraw/zinc/14/46/08/658144608.db2.gz LRPFYRBGKOCCQT-UHFFFAOYSA-N 0 0 301.346 0.996 10 0 DCAERN COC(=O)c1nc(C(=O)NCCN(C)C(=O)OC)cs1 ZINC000721443049 658165645 /nfs/dbraw/zinc/16/56/45/658165645.db2.gz PEJCGRLTLGOGPQ-UHFFFAOYSA-N 0 0 301.324 0.358 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)c2cnn(C)c2C)C1 ZINC000176875042 658186955 /nfs/dbraw/zinc/18/69/55/658186955.db2.gz VZUBVEGSSBHZAU-LBPRGKRZSA-N 0 0 309.366 0.913 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1cccc(F)n1)c2=O ZINC000160534477 658197348 /nfs/dbraw/zinc/19/73/48/658197348.db2.gz CPOCLJISEZJOIV-UHFFFAOYSA-N 0 0 302.269 0.303 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000077138698 658198764 /nfs/dbraw/zinc/19/87/64/658198764.db2.gz ROMUKBDZLWFHQI-PHIMTYICSA-N 0 0 312.391 0.892 10 0 DCAERN COC(=O)[C@@H]1CC(=O)N(CN2CCC[C@H]2c2cnn(C)c2)C1 ZINC000181369226 665560700 /nfs/dbraw/zinc/56/07/00/665560700.db2.gz YAEOWTFONRBBOV-YPMHNXCESA-N 0 0 306.366 0.536 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)C3)CC2=O)cc1 ZINC000023418786 658400396 /nfs/dbraw/zinc/40/03/96/658400396.db2.gz FDDISQVWRZEXPW-LBPRGKRZSA-N 0 0 301.346 0.306 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cn1 ZINC000158288311 658417756 /nfs/dbraw/zinc/41/77/56/658417756.db2.gz QIFGMKHUQBCUEG-WCQYABFASA-N 0 0 308.382 0.899 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)N2CCSC[C@@H]2C(=O)[O-])C1 ZINC000215094853 658441521 /nfs/dbraw/zinc/44/15/21/658441521.db2.gz WIOLUGYFXLBSIQ-WDEREUQCSA-N 0 0 301.412 0.682 10 0 DCAERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2ccnn2C)C1 ZINC000888077544 658720828 /nfs/dbraw/zinc/72/08/28/658720828.db2.gz HURHIBKGDAEMGF-NXEZZACHSA-N 0 0 311.367 0.294 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075977728 665642081 /nfs/dbraw/zinc/64/20/81/665642081.db2.gz TXVYZTJNJRFWRR-CMPLNLGQSA-N 0 0 303.428 0.898 10 0 DCAERN CCN1C[C@H](COC(=O)c2ccc3nnn(C)c3c2)CC1=O ZINC000183627837 659187022 /nfs/dbraw/zinc/18/70/22/659187022.db2.gz VWWTUHPTABAIEY-SNVBAGLBSA-N 0 0 302.334 0.994 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cccnc2Cl)C1 ZINC000311863735 659381532 /nfs/dbraw/zinc/38/15/32/659381532.db2.gz VOONPEWAMQUXKH-DTWKUNHWSA-N 0 0 306.771 0.505 10 0 DCAERN COC(=O)c1cn(CN(C)[C@@H]2CCCc3c2cnn3C)nn1 ZINC000162658962 659424901 /nfs/dbraw/zinc/42/49/01/659424901.db2.gz AFWJAHJMIDOVNM-GFCCVEGCSA-N 0 0 304.354 0.765 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1C ZINC000194203953 659486858 /nfs/dbraw/zinc/48/68/58/659486858.db2.gz AFIHYADILOCNLP-GHMZBOCLSA-N 0 0 316.352 0.675 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)NCc1cn[nH]n1 ZINC000398440283 659546125 /nfs/dbraw/zinc/54/61/25/659546125.db2.gz ILUZNZSINMTPQE-UHFFFAOYSA-N 0 0 312.127 0.045 10 0 DCAERN CNC(=O)COc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261617109 661325011 /nfs/dbraw/zinc/32/50/11/661325011.db2.gz BWNPGNZUBGZAQM-HNNXBMFYSA-N 0 0 321.377 0.504 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCCCCO ZINC000182220225 665754081 /nfs/dbraw/zinc/75/40/81/665754081.db2.gz YMDAUTNNNOQFBY-UHFFFAOYSA-N 0 0 319.361 0.359 10 0 DCAERN C[C@@H](O)c1cccc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 ZINC000893760343 661405568 /nfs/dbraw/zinc/40/55/68/661405568.db2.gz VKSPNOUAVAAQDR-DOMZBBRYSA-N 0 0 303.366 0.758 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc(Cc3cccs3)no2)C1 ZINC000126128663 661453316 /nfs/dbraw/zinc/45/33/16/661453316.db2.gz VTCDEIANXXDRDT-VIFPVBQESA-N 0 0 313.404 0.651 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(CN1CC(=O)N(C)C1=O)C2 ZINC000182283164 665769833 /nfs/dbraw/zinc/76/98/33/665769833.db2.gz WHQZZMQVYDKBKU-UHFFFAOYSA-N 0 0 305.382 0.753 10 0 DCAERN Cc1c(CC(=O)Nc2nnc(C3CC3)s2)ncn(C)c1=O ZINC000222936989 661774590 /nfs/dbraw/zinc/77/45/90/661774590.db2.gz CMJHCFYBWDPHEM-UHFFFAOYSA-N 0 0 305.363 0.999 10 0 DCAERN C[C@H](NC(=O)c1cnsn1)c1ccc(S(N)(=O)=O)cc1 ZINC000048722450 661963382 /nfs/dbraw/zinc/96/33/82/661963382.db2.gz GINRLBUDGWYQNP-ZETCQYMHSA-N 0 0 312.376 0.677 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721831654 662127310 /nfs/dbraw/zinc/12/73/10/662127310.db2.gz GXILKCKKEOASST-NSHDSACASA-N 0 0 301.412 0.818 10 0 DCAERN O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000896175428 662248032 /nfs/dbraw/zinc/24/80/32/662248032.db2.gz VKGIZPUMUVKMSG-KGLIPLIRSA-N 0 0 305.382 0.162 10 0 DCAERN COC[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1 ZINC000727856855 662256451 /nfs/dbraw/zinc/25/64/51/662256451.db2.gz GTLKMHKOPCQZGB-ZDUSSCGKSA-N 0 0 317.345 0.431 10 0 DCAERN CO[C@]1(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)CCOC1 ZINC000899083533 663122858 /nfs/dbraw/zinc/12/28/58/663122858.db2.gz BUCFZHVHMOEESI-SWLSCSKDSA-N 0 0 306.366 0.734 10 0 DCAERN O=S(=O)(N[C@H]1COC[C@H]1O)c1c(Cl)nc2ccccn21 ZINC000323535280 663143740 /nfs/dbraw/zinc/14/37/40/663143740.db2.gz OEPPBBCKKRDOBJ-JGVFFNPUSA-N 0 0 317.754 0.026 10 0 DCAERN CC(C)(O)[C@H](O)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000900775533 663279312 /nfs/dbraw/zinc/27/93/12/663279312.db2.gz AJHVLCYZNLZOHQ-CYBMUJFWSA-N 0 0 319.361 0.608 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000346674745 663294937 /nfs/dbraw/zinc/29/49/37/663294937.db2.gz CFDFVZIUUVRPPX-CGMWZMNDSA-N 0 0 304.437 0.276 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900959064 663297714 /nfs/dbraw/zinc/29/77/14/663297714.db2.gz JTYWXLOKUGEBGV-OLZOCXBDSA-N 0 0 306.366 0.040 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)CNC(=O)N3CCCC3)CCO2)cn1 ZINC000900984866 663299233 /nfs/dbraw/zinc/29/92/33/663299233.db2.gz PPOSBQKXLGHBDX-ZDUSSCGKSA-N 0 0 321.381 0.125 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436587581 663510512 /nfs/dbraw/zinc/51/05/12/663510512.db2.gz PMCXCWOIZZGNRL-VIFPVBQESA-N 0 0 321.333 0.655 10 0 DCAERN Cc1nc2c(nccc2C(=O)N[C@H](CO)Cc2ccncc2)[nH]1 ZINC000437189003 663673567 /nfs/dbraw/zinc/67/35/67/663673567.db2.gz JYGWPZMAMBUTBE-LBPRGKRZSA-N 0 0 311.345 0.995 10 0 DCAERN CC[C@H](O)[C@@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000908093618 663731734 /nfs/dbraw/zinc/73/17/34/663731734.db2.gz JEIACHBSAZFNSO-RFGFWPKPSA-N 0 0 312.410 0.632 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909171372 663785540 /nfs/dbraw/zinc/78/55/40/663785540.db2.gz MNUVZWAKFSRNPJ-IGHBBLSQSA-N 0 0 302.334 0.536 10 0 DCAERN Cc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)n1C ZINC000910442963 663884020 /nfs/dbraw/zinc/88/40/20/663884020.db2.gz MPRNLLJKGNEZRU-SMDDNHRTSA-N 0 0 303.366 0.970 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000912187502 664147161 /nfs/dbraw/zinc/14/71/61/664147161.db2.gz JIWOAHDQACTONE-KBPBESRZSA-N 0 0 308.378 0.330 10 0 DCAERN Cn1cc(CNc2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)cn1 ZINC000912277896 664159872 /nfs/dbraw/zinc/15/98/72/664159872.db2.gz FXYFMXDBYQGZJQ-CQSZACIVSA-N 0 0 313.361 0.651 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCOC[C@H]1CO)C2 ZINC000912421717 664174291 /nfs/dbraw/zinc/17/42/91/664174291.db2.gz JTZJWNRTNDJBST-QWHCGFSZSA-N 0 0 307.346 0.466 10 0 DCAERN CN1CC[C@](C)(C(=O)N2CC[C@H](n3cc(C4CC4)nn3)C2)C1=O ZINC000912940113 664247565 /nfs/dbraw/zinc/24/75/65/664247565.db2.gz GGFFAFSFIQJTDB-LRDDRELGSA-N 0 0 317.393 0.797 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000054775275 664356232 /nfs/dbraw/zinc/35/62/32/664356232.db2.gz ODNMOMWXZZWHMZ-UHFFFAOYSA-N 0 0 318.377 0.478 10 0 DCAERN C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000223359386 664407802 /nfs/dbraw/zinc/40/78/02/664407802.db2.gz ZTPZCUZVNDTNFT-CMPLNLGQSA-N 0 0 320.345 0.403 10 0 DCAERN Cn1ccc(C(=O)NCC2(CN3CCOCC3)CCOCC2)n1 ZINC000223614307 664417685 /nfs/dbraw/zinc/41/76/85/664417685.db2.gz JKGGPOCNOAVKQL-UHFFFAOYSA-N 0 0 322.409 0.279 10 0 DCAERN O=C(NCCCO)c1nn2c(c1Br)OCCC2 ZINC000223792121 664423449 /nfs/dbraw/zinc/42/34/49/664423449.db2.gz GAYHUVMONDQCFF-UHFFFAOYSA-N 0 0 304.144 0.540 10 0 DCAERN CCCc1nsc(NCC[C@@H]2CNCCS2(=O)=O)n1 ZINC000721725722 664506563 /nfs/dbraw/zinc/50/65/63/664506563.db2.gz ONZMBAVJWSYZAT-SECBINFHSA-N 0 0 304.441 0.679 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000170196522 664574284 /nfs/dbraw/zinc/57/42/84/664574284.db2.gz VCLRWWPIBOVHMH-GJZGRUSLSA-N 0 0 318.373 0.255 10 0 DCAERN CCS(=O)(=O)CCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000229553207 664605387 /nfs/dbraw/zinc/60/53/87/664605387.db2.gz OOHZRDBFEGSLKN-LBPRGKRZSA-N 0 0 317.432 0.929 10 0 DCAERN Cc1cc(C)n2nc(CCCOC(=O)[C@H]3CNC(=O)C3)nc2n1 ZINC000171484364 664608654 /nfs/dbraw/zinc/60/86/54/664608654.db2.gz ORLSFQUSESQPRR-LLVKDONJSA-N 0 0 317.349 0.353 10 0 DCAERN O=C([C@@H]1CSC(c2ccccc2)=N1)N1CCNC(=O)CC1 ZINC000062098750 664613599 /nfs/dbraw/zinc/61/35/99/664613599.db2.gz JUDKWJPBTHHAEU-LBPRGKRZSA-N 0 0 303.387 0.897 10 0 DCAERN Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccccn2)cc1 ZINC000172402087 664620966 /nfs/dbraw/zinc/62/09/66/664620966.db2.gz ILPCILVHZZTPKS-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN Cc1nsc(N2CCCN(CN3CCOC3=S)CC2)n1 ZINC000173410615 664629244 /nfs/dbraw/zinc/62/92/44/664629244.db2.gz KYTVBNUMRJUNRK-UHFFFAOYSA-N 0 0 313.452 0.933 10 0 DCAERN CNC(=O)CC1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000173906568 664633574 /nfs/dbraw/zinc/63/35/74/664633574.db2.gz CQOLXAYACOHUHW-KBPBESRZSA-N 0 0 319.405 0.743 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 ZINC000313938737 664751911 /nfs/dbraw/zinc/75/19/11/664751911.db2.gz YGCPAUVFCTUBEY-LBPRGKRZSA-N 0 0 320.798 0.551 10 0 DCAERN O=C(Cn1ncc2ccccc21)NCCN1C(=O)CSC1=O ZINC000730530217 664785460 /nfs/dbraw/zinc/78/54/60/664785460.db2.gz QJIPDNDIUNURJX-UHFFFAOYSA-N 0 0 318.358 0.848 10 0 DCAERN C[C@@H]1CN(C(=O)COC(=O)Cn2ncc3ccccc32)CCO1 ZINC000730634962 664798841 /nfs/dbraw/zinc/79/88/41/664798841.db2.gz DWRAKJOQTJGBRG-GFCCVEGCSA-N 0 0 317.345 0.827 10 0 DCAERN C[C@@H](OC(=O)Cn1ncc2ccccc21)C(=O)N1CCOCC1 ZINC000730638477 664798879 /nfs/dbraw/zinc/79/88/79/664798879.db2.gz LGIDJJUSDGWFAQ-GFCCVEGCSA-N 0 0 317.345 0.827 10 0 DCAERN CCOC(=O)C1=C(COC(=O)C2=COCCC2)NC(=O)N[C@@H]1C ZINC000730852378 664820445 /nfs/dbraw/zinc/82/04/45/664820445.db2.gz OXAJSCWEXHPNMS-SECBINFHSA-N 0 0 324.333 0.742 10 0 DCAERN CC(=O)OC1CCN([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000153544635 664881203 /nfs/dbraw/zinc/88/12/03/664881203.db2.gz GUSLSYXGQYXEPV-CQSZACIVSA-N 0 0 320.393 0.861 10 0 DCAERN Cc1cc(C)n(CC(=O)OCCCS(=O)(=O)N(C)C)n1 ZINC000731918001 664891308 /nfs/dbraw/zinc/89/13/08/664891308.db2.gz XXOPWOGRQLGDBG-UHFFFAOYSA-N 0 0 303.384 0.325 10 0 DCAERN C/C(=C\C(=O)OCC(=O)N1CCNC(=O)C1)c1cccc(F)c1 ZINC000732372371 664923206 /nfs/dbraw/zinc/92/32/06/664923206.db2.gz NUJCUVOEUVTNKX-YRNVUSSQSA-N 0 0 320.320 0.731 10 0 DCAERN C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000170859917 665391425 /nfs/dbraw/zinc/39/14/25/665391425.db2.gz NBHZLXDZFLRHTG-SNVBAGLBSA-N 0 0 318.402 0.988 10 0 DCAERN C[C@H](C[C@H](O)c1ccco1)NC(=O)NCC(=O)NCC1CC1 ZINC000183798471 666115622 /nfs/dbraw/zinc/11/56/22/666115622.db2.gz XIEWPMADUTVJNY-PWSUYJOCSA-N 0 0 309.366 0.917 10 0 DCAERN Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000585082797 666170606 /nfs/dbraw/zinc/17/06/06/666170606.db2.gz JZPPOIDEQRVWGU-LLVKDONJSA-N 0 0 309.395 0.466 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCC2(CCO)CC2)cc1 ZINC000186509753 666241775 /nfs/dbraw/zinc/24/17/75/666241775.db2.gz IALBMJVFFNAPPH-UHFFFAOYSA-N 0 0 305.378 0.970 10 0 DCAERN CNC(=O)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000184681760 666256236 /nfs/dbraw/zinc/25/62/36/666256236.db2.gz RIXGTISBSGPIBA-KBPBESRZSA-N 0 0 306.362 0.474 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000184910509 666302244 /nfs/dbraw/zinc/30/22/44/666302244.db2.gz NKPQSOMSKAEADL-NEPJUHHUSA-N 0 0 314.345 0.976 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCO[C@H](C)C2)CC[S@@]1=O ZINC000185287569 666400396 /nfs/dbraw/zinc/40/03/96/666400396.db2.gz BINPVNHZRPPDTL-ASSNKEHSSA-N 0 0 316.467 0.857 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)OCc3nnnn3C)cnc21 ZINC000733474123 666747065 /nfs/dbraw/zinc/74/70/65/666747065.db2.gz KNWAGWRFPQABIE-UHFFFAOYSA-N 0 0 315.337 0.968 10 0 DCAERN CNC(=O)CN1CCN(c2cnc(Br)cn2)CC1 ZINC000700788914 666764953 /nfs/dbraw/zinc/76/49/53/666764953.db2.gz ADAISAYDYWIPSZ-UHFFFAOYSA-N 0 0 314.187 0.107 10 0 DCAERN O=C(NC[C@@H]1CCC(=O)N1)c1cc(Br)cnc1F ZINC000700899693 666778863 /nfs/dbraw/zinc/77/88/63/666778863.db2.gz SANSTROVBITNEL-ZETCQYMHSA-N 0 0 316.130 0.992 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000733879655 666823785 /nfs/dbraw/zinc/82/37/85/666823785.db2.gz QJBACPCDUYTTLM-DDIXBURBSA-N 0 0 304.437 0.325 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@@H]1CCCCN1C(=O)C(C)C ZINC000733880728 666823884 /nfs/dbraw/zinc/82/38/84/666823884.db2.gz UXANUCLBQZWIQR-YUNKPMOVSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000733893452 666826852 /nfs/dbraw/zinc/82/68/52/666826852.db2.gz XGYGWWRDJLZVHQ-BTKVJGODSA-N 0 0 310.375 0.904 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)COc1ccccc1 ZINC000734357903 666870406 /nfs/dbraw/zinc/87/04/06/666870406.db2.gz IBJASTZVDNLARO-OAQYLSRUSA-N 0 0 312.391 0.066 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCn1c(C)c(C)sc1=O ZINC000734435922 666875298 /nfs/dbraw/zinc/87/52/98/666875298.db2.gz NMRUXNHBKROFGB-LJQANCHMSA-N 0 0 304.437 0.802 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000702362560 666946074 /nfs/dbraw/zinc/94/60/74/666946074.db2.gz DWOFUSFZWOFOOU-RHSMWYFYSA-N 0 0 319.405 0.769 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000735080332 666947960 /nfs/dbraw/zinc/94/79/60/666947960.db2.gz LHRNAAIPXJIJRK-LJQANCHMSA-N 0 0 317.388 0.404 10 0 DCAERN CCS(=O)(=O)CCN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000118398505 666949291 /nfs/dbraw/zinc/94/92/91/666949291.db2.gz JVSOUHLKIYUDKH-CYBMUJFWSA-N 0 0 301.412 0.327 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCc1cn2ccccc2n1 ZINC000735089728 666949711 /nfs/dbraw/zinc/94/97/11/666949711.db2.gz BUDSCLOANDEJOT-OAQYLSRUSA-N 0 0 308.407 0.945 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000735096017 666951814 /nfs/dbraw/zinc/95/18/14/666951814.db2.gz MIHIFSALQIWGEQ-LADRHHBVSA-N 0 0 315.395 0.352 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCC(=O)Nc1cccc(F)c1 ZINC000735110699 666954441 /nfs/dbraw/zinc/95/44/41/666954441.db2.gz MAILUKCJHWXQQH-OAQYLSRUSA-N 0 0 315.370 0.832 10 0 DCAERN CCCC(=O)NC1CCN(C(=O)NCC[S@](=O)CC)CC1 ZINC000735114573 666955185 /nfs/dbraw/zinc/95/51/85/666955185.db2.gz YKQZDHGWQIQHNX-OAQYLSRUSA-N 0 0 317.455 0.845 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)c1ccccc1F ZINC000735113665 666955284 /nfs/dbraw/zinc/95/52/84/666955284.db2.gz VHJPHZDDKTYFFR-MPBGBICISA-N 0 0 302.371 0.927 10 0 DCAERN Cn1ccnc(NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1=O ZINC000702849801 667011105 /nfs/dbraw/zinc/01/11/05/667011105.db2.gz DWSXCLLCZONBID-QWRGUYRKSA-N 0 0 324.381 0.420 10 0 DCAERN CCc1c(Cl)ncnc1N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000703164413 667063861 /nfs/dbraw/zinc/06/38/61/667063861.db2.gz WBKCRORVHNKDNO-MRVPVSSYSA-N 0 0 304.803 0.820 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2CCCS(=O)(=O)C2)CO1 ZINC000703309937 667080645 /nfs/dbraw/zinc/08/06/45/667080645.db2.gz JRDZXWMJOGBZSR-WDEREUQCSA-N 0 0 320.411 0.704 10 0 DCAERN CC(=O)CCc1ccc(OCCC(=O)NCCNC(N)=O)cc1 ZINC000736107847 667097819 /nfs/dbraw/zinc/09/78/19/667097819.db2.gz ODIQWWPFSMRRPS-UHFFFAOYSA-N 0 0 321.377 0.762 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000737214885 667102815 /nfs/dbraw/zinc/10/28/15/667102815.db2.gz OQAQLEIHCOSRKF-NRFANRHFSA-N 0 0 307.375 0.991 10 0 DCAERN C[C@]1(CO)C[C@@H](O)CN1CCS(=O)(=O)C1CCCCC1 ZINC000704158002 667192121 /nfs/dbraw/zinc/19/21/21/667192121.db2.gz FWIHAYXXUMILJQ-TZMCWYRMSA-N 0 0 305.440 0.552 10 0 DCAERN Cn1nc(C(=O)Nc2cnc(Br)cn2)ccc1=O ZINC000706358678 667412521 /nfs/dbraw/zinc/41/25/21/667412521.db2.gz UNCOBVAJQSIIIH-UHFFFAOYSA-N 0 0 310.111 0.585 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ncsc1Br ZINC000706709680 667421257 /nfs/dbraw/zinc/42/12/57/667421257.db2.gz OPXSUMKQUSBNCP-WDSKDSINSA-N 0 0 307.169 0.785 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1cccnc1Br ZINC000706798607 667423601 /nfs/dbraw/zinc/42/36/01/667423601.db2.gz RXALJBBJWLLOSB-DTWKUNHWSA-N 0 0 301.140 0.724 10 0 DCAERN Cc1cc(C(=O)NC(C)(C)CNS(C)(=O)=O)ccc1O ZINC000708263444 667442514 /nfs/dbraw/zinc/44/25/14/667442514.db2.gz KMMOZUUVDADYBW-UHFFFAOYSA-N 0 0 300.380 0.758 10 0 DCAERN Cn1cc(C(=O)NCCn2cc(Br)cn2)[nH]c1=O ZINC000708449424 667443196 /nfs/dbraw/zinc/44/31/96/667443196.db2.gz JNJTVBOQGPNFIG-UHFFFAOYSA-N 0 0 314.143 0.515 10 0 DCAERN CCOC(=O)c1ncc(CN2CCOC[C@H]2CCO)s1 ZINC000711394600 667461733 /nfs/dbraw/zinc/46/17/33/667461733.db2.gz RROBUSCRDXHIIX-SNVBAGLBSA-N 0 0 300.380 0.903 10 0 DCAERN C[C@H](O)[C@@H](O)CNCc1c(Cl)cccc1S(C)(=O)=O ZINC000717319364 667556465 /nfs/dbraw/zinc/55/64/65/667556465.db2.gz CMYQZBCIVSBEDL-KWQFWETISA-N 0 0 307.799 0.575 10 0 DCAERN CCOCCCNC(=S)N1CC[C@H](N2CCOCC2)C1 ZINC000135030590 667563676 /nfs/dbraw/zinc/56/36/76/667563676.db2.gz XRVKRRROPJNKSQ-ZDUSSCGKSA-N 0 0 301.456 0.694 10 0 DCAERN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CC(CO)C1 ZINC000122244870 667590162 /nfs/dbraw/zinc/59/01/62/667590162.db2.gz VCASAQNTGVUTPS-VQHVLOKHSA-N 0 0 324.402 0.418 10 0 DCAERN Cn1cc(C(=O)N2CC3(CC3)c3ccccc32)c(=O)n(C)c1=O ZINC000739609562 667710116 /nfs/dbraw/zinc/71/01/16/667710116.db2.gz ADWVWOPNFYDWDH-UHFFFAOYSA-N 0 0 311.341 0.776 10 0 DCAERN CCn1cccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 ZINC000886026697 667725410 /nfs/dbraw/zinc/72/54/10/667725410.db2.gz KEZHARCSLDXCMP-MRXNPFEDSA-N 0 0 306.410 0.270 10 0 DCAERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)c2cn[nH]c2)CCC(=O)N1C ZINC000886026647 667725599 /nfs/dbraw/zinc/72/55/99/667725599.db2.gz AKRCYQFNSRPHSF-MFKMUULPSA-N 0 0 316.365 0.483 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1nccc(N)n1 ZINC000886035902 667726709 /nfs/dbraw/zinc/72/67/09/667726709.db2.gz PFMZHKXBGUVSIK-VXGBXAGGSA-N 0 0 312.377 0.843 10 0 DCAERN CO[C@@H]1CN(Cc2nnc(C(C)C)[nH]2)C[C@H]1c1cn(C)nn1 ZINC000886072073 667728745 /nfs/dbraw/zinc/72/87/45/667728745.db2.gz NNEWFCHDJPKGAM-CMPLNLGQSA-N 0 0 305.386 0.671 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N2CCCc3n[nH]cc32)C1=O ZINC000886078509 667729402 /nfs/dbraw/zinc/72/94/02/667729402.db2.gz YXOWQWZOTZXNPK-CYBMUJFWSA-N 0 0 306.366 0.716 10 0 DCAERN CO[C@@H]1CCCCN(CC(=O)N=c2nc[nH]n2C(C)C)C1=O ZINC000886078328 667729799 /nfs/dbraw/zinc/72/97/99/667729799.db2.gz VZSZKWDYEWJYEM-LLVKDONJSA-N 0 0 309.370 0.247 10 0 DCAERN CCc1nnc(N2CC[C@@](O)(Cn3ccnn3)C2)nc1CC ZINC000886081899 667730416 /nfs/dbraw/zinc/73/04/16/667730416.db2.gz CUPRMECQYQWOQM-AWEZNQCLSA-N 0 0 303.370 0.229 10 0 DCAERN CN(C(=O)CCn1cccn1)[C@H]1COC[C@H]1Oc1cnn(C)c1 ZINC000886094212 667731311 /nfs/dbraw/zinc/73/13/11/667731311.db2.gz UTJQNKVOQRVHTJ-UONOGXRCSA-N 0 0 319.365 0.312 10 0 DCAERN C/C(=C/C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC000886096909 667731510 /nfs/dbraw/zinc/73/15/10/667731510.db2.gz OBELPBRGIDRZKE-UILAEWCASA-N 0 0 308.378 0.731 10 0 DCAERN Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3cccnc3)C2)n1 ZINC000886097173 667731952 /nfs/dbraw/zinc/73/19/52/667731952.db2.gz YRJBWRSJEQQMCD-INIZCTEOSA-N 0 0 316.361 0.912 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1ccc(Br)cc1O ZINC000717388850 667749944 /nfs/dbraw/zinc/74/99/44/667749944.db2.gz YHAKDNUVDVJKQJ-LDWIPMOCSA-N 0 0 304.140 0.626 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000741421398 667770895 /nfs/dbraw/zinc/77/08/95/667770895.db2.gz QDMUGUAKPGSJKZ-GIPWTMENSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccccc1S(C)(=O)=O ZINC000741423304 667771000 /nfs/dbraw/zinc/77/10/00/667771000.db2.gz CPZBGJVBGXJMBF-IBGZPJMESA-N 0 0 318.420 0.980 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000741421403 667771111 /nfs/dbraw/zinc/77/11/11/667771111.db2.gz QDMUGUAKPGSJKZ-YBTHPKLGSA-N 0 0 304.412 0.740 10 0 DCAERN c1ccc(-n2nnnc2CCN2CCC3(C2)OCCO3)cc1 ZINC000741779402 667776478 /nfs/dbraw/zinc/77/64/78/667776478.db2.gz QUHXHRVPSYWXBY-UHFFFAOYSA-N 0 0 301.350 0.654 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)Cc1ccccc1Br ZINC000717416696 667789745 /nfs/dbraw/zinc/78/97/45/667789745.db2.gz ITRNDKDBDNXRHP-GZMMTYOYSA-N 0 0 302.168 0.850 10 0 DCAERN O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000123454379 667787236 /nfs/dbraw/zinc/78/72/36/667787236.db2.gz UZXDARSVIOKTTE-NEPJUHHUSA-N 0 0 302.330 0.719 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)OCCN2CCSCC2)C1 ZINC000124905030 668159956 /nfs/dbraw/zinc/15/99/56/668159956.db2.gz YFWOFGHYKNJCGC-GFCCVEGCSA-N 0 0 300.424 0.837 10 0 DCAERN CN(Cc1cccs1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000124938648 668168963 /nfs/dbraw/zinc/16/89/63/668168963.db2.gz IQRIAXPXMWUXMD-JTQLQIEISA-N 0 0 302.421 0.483 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCN1CCO ZINC000187298529 668250874 /nfs/dbraw/zinc/25/08/74/668250874.db2.gz MIUYZYHMMHWSCR-PBHICJAKSA-N 0 0 306.406 0.809 10 0 DCAERN COc1ccccc1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126430977 668581263 /nfs/dbraw/zinc/58/12/63/668581263.db2.gz TZTYDDCEIIHALC-GFCCVEGCSA-N 0 0 312.391 0.088 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCc1ccc(F)cc1 ZINC000126432835 668581891 /nfs/dbraw/zinc/58/18/91/668581891.db2.gz ITPCCXVWSVKXQV-CYBMUJFWSA-N 0 0 314.382 0.261 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1ccc2c[nH]nc2c1 ZINC000126541892 668622161 /nfs/dbraw/zinc/62/21/61/668622161.db2.gz YFSNBSLGZQCYDY-LLVKDONJSA-N 0 0 308.363 0.278 10 0 DCAERN CN(Cc1cccc(O)c1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126607798 668633285 /nfs/dbraw/zinc/63/32/85/668633285.db2.gz HFPZEQZXLLQOJD-GFCCVEGCSA-N 0 0 312.391 0.127 10 0 DCAERN Cc1cc(C)c(O)c(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126863072 668672756 /nfs/dbraw/zinc/67/27/56/668672756.db2.gz YVYYFRIDCKWAEK-LLVKDONJSA-N 0 0 312.391 0.724 10 0 DCAERN CCC[C@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000212931960 669586844 /nfs/dbraw/zinc/58/68/44/669586844.db2.gz OXHWELWEHUTQBC-OLZOCXBDSA-N 0 0 302.440 0.944 10 0 DCAERN Cc1nc2[nH]cnn2c(=O)c1CCOC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000130321297 669615449 /nfs/dbraw/zinc/61/54/49/669615449.db2.gz KPIRUMBRZDUONK-VXGBXAGGSA-N 0 0 302.334 0.858 10 0 DCAERN CCc1nc(C2(NCn3nc(COC)oc3=O)CCCC2)no1 ZINC000132099538 669705025 /nfs/dbraw/zinc/70/50/25/669705025.db2.gz IXGJQVMZGWIRPK-UHFFFAOYSA-N 0 0 323.353 0.945 10 0 DCAERN COC[C@@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C1CC1 ZINC000132496008 669729217 /nfs/dbraw/zinc/72/92/17/669729217.db2.gz GULMPHXCLFBLSU-CYBMUJFWSA-N 0 0 318.329 0.658 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000158028543 669923505 /nfs/dbraw/zinc/92/35/05/669923505.db2.gz RPZSKCFWIXJCNZ-ZDUSSCGKSA-N 0 0 317.324 0.757 10 0 DCAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000157849681 669923546 /nfs/dbraw/zinc/92/35/46/669923546.db2.gz RVZYQBMZVGBZJA-JHJVBQTASA-N 0 0 302.440 0.800 10 0 DCAERN O=C(CCn1cncn1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000158972819 669932257 /nfs/dbraw/zinc/93/22/57/669932257.db2.gz BFGOIGMRHDDLJG-CHWSQXEVSA-N 0 0 320.349 0.612 10 0 DCAERN CC(C)N1C(=O)CN(CN2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000191439754 670025831 /nfs/dbraw/zinc/02/58/31/670025831.db2.gz IVGGXBFGQNJRQB-LLVKDONJSA-N 0 0 309.288 0.616 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1CCO ZINC000188725165 670041760 /nfs/dbraw/zinc/04/17/60/670041760.db2.gz BIGAONURVRECSL-SNVBAGLBSA-N 0 0 319.814 0.422 10 0 DCAERN CCS(=O)(=O)CCN(C)C(=O)c1cn2ccnc2s1 ZINC000188736804 670042387 /nfs/dbraw/zinc/04/23/87/670042387.db2.gz CBXLRAJOQOSCSE-UHFFFAOYSA-N 0 0 301.393 0.903 10 0 DCAERN CC1(CNC(=O)CCCCN2CCOCC2)OCCCO1 ZINC000191540241 670055992 /nfs/dbraw/zinc/05/59/92/670055992.db2.gz WZQFZKSWEVZJKS-UHFFFAOYSA-N 0 0 300.399 0.758 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)c1nnnn1C1CC1 ZINC000189172214 670095176 /nfs/dbraw/zinc/09/51/76/670095176.db2.gz OUMLCXWZYJSSSY-GUBZILKMSA-N 0 0 321.385 0.412 10 0 DCAERN CCS(=O)(=O)CCNCc1cn(C)nc1Br ZINC000712447402 670148830 /nfs/dbraw/zinc/14/88/30/670148830.db2.gz KVGFJUPXLIUMSQ-UHFFFAOYSA-N 0 0 310.217 0.707 10 0 DCAERN CC[C@H]1C(=O)NCCN1Cc1cn(C)nc1Br ZINC000713862737 670171231 /nfs/dbraw/zinc/17/12/31/670171231.db2.gz YWWKNFPSIHLMFO-VIFPVBQESA-N 0 0 301.188 0.893 10 0 DCAERN O=C(OCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCOC1 ZINC000079168300 670180304 /nfs/dbraw/zinc/18/03/04/670180304.db2.gz MVUVPJZTSMENQF-OAHLLOKOSA-N 0 0 324.421 0.901 10 0 DCAERN O=C(NCC[C@H]1CCCS1(=O)=O)c1cnc(Cl)cn1 ZINC000714360401 670185661 /nfs/dbraw/zinc/18/56/61/670185661.db2.gz IPPWLQOHRBQQSC-MRVPVSSYSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2ccnc(Br)c2)C1 ZINC000714460098 670188727 /nfs/dbraw/zinc/18/87/27/670188727.db2.gz QVYVJPHBOGTKSJ-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN Cc1ccn(CC(=O)O[C@@H](C)CCS(C)(=O)=O)c(=O)c1 ZINC000192929875 670206610 /nfs/dbraw/zinc/20/66/10/670206610.db2.gz NDRUUECVDMVPHC-NSHDSACASA-N 0 0 301.364 0.523 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000716047601 670227288 /nfs/dbraw/zinc/22/72/88/670227288.db2.gz XGSFGSCXWGZUTD-YATPEIPISA-N 0 0 318.464 0.940 10 0 DCAERN NC(=O)CCNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000193863263 670373804 /nfs/dbraw/zinc/37/38/04/670373804.db2.gz QNKYOOLIZIJDOS-UHFFFAOYSA-N 0 0 318.377 0.878 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000077444202 670410983 /nfs/dbraw/zinc/41/09/83/670410983.db2.gz NJWBMCVTVIOYMQ-MELADBBJSA-N 0 0 305.378 0.496 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CN1CCCNC(=O)[C@H]1C)C2=O ZINC000190712756 670482894 /nfs/dbraw/zinc/48/28/94/670482894.db2.gz BTDFQXKDGKJNOH-BWBHSNQOSA-N 0 0 322.409 0.655 10 0 DCAERN Cn1c(=O)ccn(CC(=O)OCCSC(C)(C)C)c1=O ZINC000112763977 670653972 /nfs/dbraw/zinc/65/39/72/670653972.db2.gz TXNBFBUYSMTZAE-UHFFFAOYSA-N 0 0 300.380 0.622 10 0 DCAERN Cc1nn(CC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)c(C)c1Cl ZINC000855078559 670676575 /nfs/dbraw/zinc/67/65/75/670676575.db2.gz CNDYQMACFCXQTH-SUNKGSAMSA-N 0 0 323.784 0.841 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000114546452 670841548 /nfs/dbraw/zinc/84/15/48/670841548.db2.gz DEUQMGUEMVNGAP-DZGCQCFKSA-N 0 0 308.403 0.932 10 0 DCAERN CCCCCCOCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116832793 671125805 /nfs/dbraw/zinc/12/58/05/671125805.db2.gz WBALJYIFUXPREQ-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000116869292 671131869 /nfs/dbraw/zinc/13/18/69/671131869.db2.gz LNXRERBXNBJOJX-KGLIPLIRSA-N 0 0 323.418 0.541 10 0 DCAERN COCCCCCOC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000116990651 671148460 /nfs/dbraw/zinc/14/84/60/671148460.db2.gz WITFSWQSDUABIK-BQYQJAHWSA-N 0 0 310.350 0.457 10 0 DCAERN CCOCc1nc(Cl)cc(NC[C@H](C)S(N)(=O)=O)n1 ZINC000398465913 1158118996 /nfs/dbraw/zinc/11/89/96/1158118996.db2.gz LCYPXSCGTASWCL-ZETCQYMHSA-N 0 0 308.791 0.177 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCC3(CCC3)O2)C1 ZINC000716949592 671779828 /nfs/dbraw/zinc/77/98/28/671779828.db2.gz ZVHISVSUDIVWIX-QWRGUYRKSA-N 0 0 302.396 0.368 10 0 DCAERN N#Cc1cc(Br)cnc1N1CC[C@@H](O)[C@H](CO)C1 ZINC000396809853 685271728 /nfs/dbraw/zinc/27/17/28/685271728.db2.gz OHGCCIWXXYMDFP-GXSJLCMTSA-N 0 0 312.167 0.895 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000412816078 685276952 /nfs/dbraw/zinc/27/69/52/685276952.db2.gz BQSVZIMSAJMCKV-UTLUCORTSA-N 0 0 308.350 0.573 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)no1 ZINC000719051980 685307950 /nfs/dbraw/zinc/30/79/50/685307950.db2.gz SSRQYIQHUCDSMT-LLVKDONJSA-N 0 0 316.379 0.898 10 0 DCAERN C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720482219 685313081 /nfs/dbraw/zinc/31/30/81/685313081.db2.gz KAOVKXMMABNUDW-GARJFASQSA-N 0 0 301.412 0.681 10 0 DCAERN CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720480579 685314005 /nfs/dbraw/zinc/31/40/05/685314005.db2.gz DOEIWFHNSTVWDS-WDEREUQCSA-N 0 0 301.412 0.682 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c1C ZINC000722576162 685319498 /nfs/dbraw/zinc/31/94/98/685319498.db2.gz DADLBPMZCAZFAI-MNOVXSKESA-N 0 0 305.421 0.647 10 0 DCAERN C[C@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCC1 ZINC000083150396 685084890 /nfs/dbraw/zinc/08/48/90/685084890.db2.gz NREGYTOSBMQJIY-VIFPVBQESA-N 0 0 320.349 0.166 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)OCc2nccn2C)c1 ZINC000091108095 685102893 /nfs/dbraw/zinc/10/28/93/685102893.db2.gz HTOCKAHKBOMNHA-ONEGZZNKSA-N 0 0 300.318 0.931 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091238771 685104466 /nfs/dbraw/zinc/10/44/66/685104466.db2.gz MCNXJZVMVJOGKD-RKDXNWHRSA-N 0 0 324.768 0.834 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)NCCc2ccccc2)CCSC1 ZINC000096364670 685111802 /nfs/dbraw/zinc/11/18/02/685111802.db2.gz OJYAPHIYEUXTPX-INIZCTEOSA-N 0 0 322.430 0.984 10 0 DCAERN CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000097927403 685114033 /nfs/dbraw/zinc/11/40/33/685114033.db2.gz NCXZEYWLNWZKHV-UHFFFAOYSA-N 0 0 315.395 0.818 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000135369444 685121381 /nfs/dbraw/zinc/12/13/81/685121381.db2.gz JEEXSBFLFYMMQM-DTVYBNOISA-N 0 0 317.389 0.830 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000135366896 685121451 /nfs/dbraw/zinc/12/14/51/685121451.db2.gz WERACYNWRMMGSA-UHFFFAOYSA-N 0 0 303.424 0.963 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)c2nnnn2C2CC2)c(=O)[nH]c1C ZINC000190320409 685153070 /nfs/dbraw/zinc/15/30/70/685153070.db2.gz QFPOZMBYFIJTRR-MRVPVSSYSA-N 0 0 303.326 0.199 10 0 DCAERN CCn1cc([C@H]2CN(CN3CC(=O)N(CC)C3=O)CCO2)cn1 ZINC000189857212 685153224 /nfs/dbraw/zinc/15/32/24/685153224.db2.gz RYCZYAGGZFYGDP-CYBMUJFWSA-N 0 0 321.381 0.518 10 0 DCAERN CC(C)[C@@]1(C)CC(=O)N(CN2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246791201 685167062 /nfs/dbraw/zinc/16/70/62/685167062.db2.gz ALSJXUNKLLCNPD-RHSMWYFYSA-N 0 0 323.437 0.772 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248227748 685174120 /nfs/dbraw/zinc/17/41/20/685174120.db2.gz QBLSAZXEDPNHES-KGYLQXTDSA-N 0 0 310.350 0.455 10 0 DCAERN C[C@@H]1CCCC[C@H]1CNC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000252207257 685186177 /nfs/dbraw/zinc/18/61/77/685186177.db2.gz VJRCXIVSMJBFHQ-AGIUHOORSA-N 0 0 302.440 0.706 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000283529534 685201139 /nfs/dbraw/zinc/20/11/39/685201139.db2.gz GIYHRVFLKFPNNU-ZIAGYGMSSA-N 0 0 318.377 0.839 10 0 DCAERN C[C@@H](O)[C@@H](CO)NC(=O)COc1cccc(Br)c1 ZINC000387685959 685253082 /nfs/dbraw/zinc/25/30/82/685253082.db2.gz UCJSJJMPPBQIKR-LDYMZIIASA-N 0 0 318.167 0.686 10 0 DCAERN COC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000040332560 1157395652 /nfs/dbraw/zinc/39/56/52/1157395652.db2.gz YFBMUXCIRQTIHN-UHFFFAOYSA-N 0 0 311.769 0.853 10 0 DCAERN C[C@@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ncn(C)n1 ZINC000391898830 1157723431 /nfs/dbraw/zinc/72/34/31/1157723431.db2.gz GDDYHIPXVFTODA-GHMZBOCLSA-N 0 0 301.416 0.137 10 0 DCAERN C[C@H](NC[C@H]1CCCN(S(C)(=O)=O)C1)c1ncn(C)n1 ZINC000391898833 1157723660 /nfs/dbraw/zinc/72/36/60/1157723660.db2.gz GDDYHIPXVFTODA-WDEREUQCSA-N 0 0 301.416 0.137 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(Br)ccc2N)C[C@H]1O ZINC000396038070 1157953023 /nfs/dbraw/zinc/95/30/23/1157953023.db2.gz YSNLAWMRZQIKLX-GHMZBOCLSA-N 0 0 315.167 0.863 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC(=O)NC2=O)s1 ZINC000382142653 1158128931 /nfs/dbraw/zinc/12/89/31/1158128931.db2.gz QWDQCSPUWVRJJL-QMMMGPOBSA-N 0 0 302.377 0.448 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@H]2Cc3ccccc3O2)cn1 ZINC000051087890 1171748844 /nfs/dbraw/zinc/74/88/44/1171748844.db2.gz TZGOOCRXXUCVOK-SNVBAGLBSA-N 0 0 306.347 0.341 10 0 DCAERN O=C(CNC(=O)c1ccccc1Cl)NCC(=O)N1CCCC1 ZINC000068120092 1173782857 /nfs/dbraw/zinc/78/28/57/1173782857.db2.gz NNFPCRNUBUTZKL-UHFFFAOYSA-N 0 0 323.780 0.808 10 0 DCAERN Cn1cc(S(=O)(=O)N2Cc3ccccc3NC(=O)C2)cn1 ZINC000087887983 1175226951 /nfs/dbraw/zinc/22/69/51/1175226951.db2.gz LAETWAOJXOBHPK-UHFFFAOYSA-N 0 0 306.347 0.563 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2cc(F)ccc2Cl)C(=O)N1 ZINC000123684726 1177058906 /nfs/dbraw/zinc/05/89/06/1177058906.db2.gz ACEGCGMFEXCANQ-MRVPVSSYSA-N 0 0 320.729 0.563 10 0 DCAERN Nc1cc(Cl)ccc1C(=O)NCCC(=O)N1CCOCC1 ZINC000134448575 1177530779 /nfs/dbraw/zinc/53/07/79/1177530779.db2.gz XPDNAUBDJMJZBE-UHFFFAOYSA-N 0 0 311.769 0.901 10 0 DCAERN CCN(CCCNC(=O)c1cccc(F)c1N)S(C)(=O)=O ZINC000156152005 1180556529 /nfs/dbraw/zinc/55/65/29/1180556529.db2.gz UMQQGNPQTMXAJH-UHFFFAOYSA-N 0 0 317.386 0.809 10 0 DCAERN COCCOC[C@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000156529709 1180557429 /nfs/dbraw/zinc/55/74/29/1180557429.db2.gz NREXRDSBLODUSA-LBPRGKRZSA-N 0 0 309.366 0.512 10 0 DCAERN COCCOC[C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000156529842 1180557978 /nfs/dbraw/zinc/55/79/78/1180557978.db2.gz NREXRDSBLODUSA-GFCCVEGCSA-N 0 0 309.366 0.512 10 0 DCAERN NC(=O)[C@H]1CCN(C(=O)c2cc(Br)ccc2N)C1 ZINC000236272235 1180566266 /nfs/dbraw/zinc/56/62/66/1180566266.db2.gz QGHVPDYCHZWMPF-ZETCQYMHSA-N 0 0 312.167 0.979 10 0 DCAERN Cn1cc(Cn2cccc(I)c2=O)nn1 ZINC000236092389 1180566935 /nfs/dbraw/zinc/56/69/35/1180566935.db2.gz QGOUCZJYQKADMG-UHFFFAOYSA-N 0 0 316.102 0.630 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245751961 1182932433 /nfs/dbraw/zinc/93/24/33/1182932433.db2.gz XVJUNEKLASFHNT-ZJUUUORDSA-N 0 0 324.347 0.774 10 0 DCAERN COCCOCC(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC000169830063 1183609237 /nfs/dbraw/zinc/60/92/37/1183609237.db2.gz DXLUFXVXXKRBQC-UHFFFAOYSA-N 0 0 307.350 0.029 10 0 DCAERN CC(C)c1nncn1CCNC(=O)Cn1nnc2ccccc21 ZINC000172608586 1183864141 /nfs/dbraw/zinc/86/41/41/1183864141.db2.gz RKLAEUKPWYDOAH-UHFFFAOYSA-N 0 0 313.365 0.963 10 0 DCAERN O=C(Cn1nnc2ccccc21)N(CCO)Cc1cccnc1 ZINC000179614426 1185166445 /nfs/dbraw/zinc/16/64/45/1185166445.db2.gz SXLUJSNVMZIYKP-UHFFFAOYSA-N 0 0 311.345 0.847 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cc2ccc(C(N)=O)cc2)CC1 ZINC000276915941 1187410327 /nfs/dbraw/zinc/41/03/27/1187410327.db2.gz RCLPQIKWTLZPBC-UHFFFAOYSA-N 0 0 317.389 0.703 10 0 DCAERN COC[C@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@H](C)O1 ZINC000188326033 1187629077 /nfs/dbraw/zinc/62/90/77/1187629077.db2.gz SLYDIRAZBKLNGL-NWDGAFQWSA-N 0 0 304.350 0.694 10 0 DCAERN O=C(c1nscc1Br)N1CCC(O)(CO)CC1 ZINC000404950735 1190241135 /nfs/dbraw/zinc/24/11/35/1190241135.db2.gz PIQZZKMWQJKUKM-UHFFFAOYSA-N 0 0 321.196 0.865 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](NC[C@H](O)C1CC1)C(F)(F)F ZINC000311842000 1190392944 /nfs/dbraw/zinc/39/29/44/1190392944.db2.gz NLGVNWZDVPWSAQ-IUCAKERBSA-N 0 0 304.334 0.169 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000316550924 1190414889 /nfs/dbraw/zinc/41/48/89/1190414889.db2.gz RPFJFNGGNYYZHX-HQJQHLMTSA-N 0 0 315.167 0.457 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)CCCCO)CC1 ZINC000385184074 1190699744 /nfs/dbraw/zinc/69/97/44/1190699744.db2.gz YPQKNHLOILOGQP-UHFFFAOYSA-N 0 0 306.428 0.279 10 0 DCAERN CC(C)COCCOC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000588591218 747517919 /nfs/dbraw/zinc/51/79/19/747517919.db2.gz BMCMVDVXELYZHL-WAYWQWQTSA-N 0 0 310.350 0.313 10 0 DCAERN CC(C)/C=C\C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000588602063 747524570 /nfs/dbraw/zinc/52/45/70/747524570.db2.gz PZGPAFSDDQENQS-WAYWQWQTSA-N 0 0 320.349 0.189 10 0 DCAERN CC(=O)NCCCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000031243799 766411903 /nfs/dbraw/zinc/41/19/03/766411903.db2.gz ZJOQVJWQSMTVIV-UHFFFAOYSA-N 0 0 317.349 0.707 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCn2nccc2C1 ZINC000238857546 769732558 /nfs/dbraw/zinc/73/25/58/769732558.db2.gz KCQXZQXVBNMYMS-UHFFFAOYSA-N 0 0 310.313 0.522 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCNC(=O)c1ccco1 ZINC000247737598 771860807 /nfs/dbraw/zinc/86/08/07/771860807.db2.gz MADHVOICADCHDS-UHFFFAOYSA-N 0 0 313.317 0.571 10 0 DCAERN C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccnc1F ZINC000401850857 774068600 /nfs/dbraw/zinc/06/86/00/774068600.db2.gz WOSXOOQRQYRSSY-SNVBAGLBSA-N 0 0 303.359 0.220 10 0 DCAERN C[C@@H](O)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307905410 774140445 /nfs/dbraw/zinc/14/04/45/774140445.db2.gz OOLCXGKBLIXKRR-SECBINFHSA-N 0 0 300.380 0.563 10 0 DCAERN O=C(NCC[C@@H]1CNCCS1(=O)=O)c1ccc(Cl)nc1 ZINC000721775699 944913504 /nfs/dbraw/zinc/91/35/04/944913504.db2.gz HELWBSLTXIXULE-SNVBAGLBSA-N 0 0 317.798 0.242 10 0 DCAERN C[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C(=O)[O-])C1 ZINC000690815981 976337576 /nfs/dbraw/zinc/33/75/76/976337576.db2.gz CKNFPMKRTGDXIH-IJLUTSLNSA-N 0 0 304.412 0.453 10 0 DCAERN COC[C@@]1(C(=O)[O-])CCCC[N@@H+]1CCS(=O)(=O)C(C)C ZINC000692333233 976423315 /nfs/dbraw/zinc/42/33/15/976423315.db2.gz VZJMIKQDJJSAHC-CYBMUJFWSA-N 0 0 307.412 0.765 10 0 DCAERN COC[C@]1(C(=O)[O-])CCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000692358818 976433613 /nfs/dbraw/zinc/43/36/13/976433613.db2.gz IYHOKBWPRNJTAW-MFKMUULPSA-N 0 0 302.396 0.174 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000096658542 185385106 /nfs/dbraw/zinc/38/51/06/185385106.db2.gz TZOAUPHHBVLCRD-NSHDSACASA-N 0 0 302.352 0.840 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)nn1C ZINC000328629246 231264789 /nfs/dbraw/zinc/26/47/89/231264789.db2.gz IAWMIRYFJZXNMT-RYUDHWBXSA-N 0 0 318.356 0.865 10 0 DCAERN Cc1occc1C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 ZINC000328621868 231252466 /nfs/dbraw/zinc/25/24/66/231252466.db2.gz IAOJJCKMRBVGFL-ZDUSSCGKSA-N 0 0 323.374 0.933 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N(CC)CC ZINC000157071711 529750592 /nfs/dbraw/zinc/75/05/92/529750592.db2.gz ZYJIZNIWXPBCRT-SNVBAGLBSA-N 0 0 301.416 0.852 10 0 DCAERN CO[C@H](C)CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000183008422 199521608 /nfs/dbraw/zinc/52/16/08/199521608.db2.gz DSBWHLPEPUIDCX-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN CNC(=O)CC(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000186861469 529844845 /nfs/dbraw/zinc/84/48/45/529844845.db2.gz CLTZAXKYZCJCLW-UHFFFAOYSA-N 0 0 305.378 0.902 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000275820257 529851723 /nfs/dbraw/zinc/85/17/23/529851723.db2.gz UQRAXKPAWVGHKG-WOMSROEHSA-N 0 0 321.396 0.957 10 0 DCAERN CNC(=O)Cn1ccc2ccc(NC(=O)N[C@H](C)C(N)=O)cc21 ZINC000173892194 529877608 /nfs/dbraw/zinc/87/76/08/529877608.db2.gz BSOAUPRHABHKJO-SECBINFHSA-N 0 0 317.349 0.383 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000183107989 199539030 /nfs/dbraw/zinc/53/90/30/199539030.db2.gz YWSVTGGNMXRWNH-NEPJUHHUSA-N 0 0 321.377 0.300 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(C)c1F)C(C)C ZINC000180740648 529895986 /nfs/dbraw/zinc/89/59/86/529895986.db2.gz MSPMYXAYSSCMQT-LBPRGKRZSA-N 0 0 309.341 0.959 10 0 DCAERN CCCCOC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000106826858 185453985 /nfs/dbraw/zinc/45/39/85/185453985.db2.gz IRRXPTSJZCQRDO-UHFFFAOYSA-N 0 0 317.345 0.856 10 0 DCAERN CNS(=O)(=O)CC(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000188413935 530014005 /nfs/dbraw/zinc/01/40/05/530014005.db2.gz ODVDAMLIRAWYCS-UHFFFAOYSA-N 0 0 323.418 0.695 10 0 DCAERN CCc1nc(CNC(=O)CN2CCS(=O)(=O)CC2)cs1 ZINC000107615828 185485712 /nfs/dbraw/zinc/48/57/12/185485712.db2.gz YAWGEIXYLDJJBB-UHFFFAOYSA-N 0 0 317.436 0.052 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc2c(cn1)nc[nH]c2=O ZINC000188491043 295751554 /nfs/dbraw/zinc/75/15/54/295751554.db2.gz ZHMSILLMMRCQTN-SECBINFHSA-N 0 0 311.305 0.175 10 0 DCAERN CN(C[C@@H]1CN(C)CCO1)C(=O)CNC(=O)c1ccccc1 ZINC000074884949 545673585 /nfs/dbraw/zinc/67/35/85/545673585.db2.gz QKBXTTGJTMKDPJ-AWEZNQCLSA-N 0 0 305.378 0.205 10 0 DCAERN CN1C(=O)C[C@@H](N[C@@H]2CCC(=O)N(C)C2=O)c2ccccc21 ZINC000328685354 282637669 /nfs/dbraw/zinc/63/76/69/282637669.db2.gz XINHAHDWEPRYPF-VXGBXAGGSA-N 0 0 301.346 0.831 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C2)no1 ZINC000170895668 197847387 /nfs/dbraw/zinc/84/73/87/197847387.db2.gz HLSRWDWQQFGUOL-PWSUYJOCSA-N 0 0 323.397 0.819 10 0 DCAERN O=C([O-])[C@H]1CC2(CN1C(=O)CCCc1cn[nH]c1)CC[NH2+]CC2 ZINC000072150734 191056696 /nfs/dbraw/zinc/05/66/96/191056696.db2.gz ZGNLIIXGMGNJAR-CYBMUJFWSA-N 0 0 320.393 0.788 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000191615787 295809103 /nfs/dbraw/zinc/80/91/03/295809103.db2.gz DNLSLYXNRPTNPJ-SFYZADRCSA-N 0 0 323.358 0.776 10 0 DCAERN Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1-n1cncn1 ZINC000173338261 186178516 /nfs/dbraw/zinc/17/85/16/186178516.db2.gz BWTSIBDKLDCNDD-AWEZNQCLSA-N 0 0 315.377 0.636 10 0 DCAERN C[C@@H]1CN(C(=O)NCCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000175653194 186185157 /nfs/dbraw/zinc/18/51/57/186185157.db2.gz UGVMNZTYNZZRMU-ZBFHGGJFSA-N 0 0 318.421 0.986 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000179687707 186205660 /nfs/dbraw/zinc/20/56/60/186205660.db2.gz UZIHKZJBBFLGLQ-SNVBAGLBSA-N 0 0 302.327 0.009 10 0 DCAERN O=C(CNC(=O)c1cccc(F)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000183831641 186222179 /nfs/dbraw/zinc/22/21/79/186222179.db2.gz VEZOWWLACOALBH-INIZCTEOSA-N 0 0 322.336 0.573 10 0 DCAERN COC[C@H](C)C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000171526281 197936113 /nfs/dbraw/zinc/93/61/13/197936113.db2.gz NCRDWBIKNMRSOB-QMMMGPOBSA-N 0 0 306.322 0.193 10 0 DCAERN Cn1ccnc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1=O ZINC000183789521 282736785 /nfs/dbraw/zinc/73/67/85/282736785.db2.gz NIKJRTQKMVYDLN-NEPJUHHUSA-N 0 0 300.318 0.560 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000171808229 197988570 /nfs/dbraw/zinc/98/85/70/197988570.db2.gz GYGWGGXWNRAJNL-UHFFFAOYSA-N 0 0 308.382 0.571 10 0 DCAERN CC1(CNC(=O)NCCNC(=O)c2ccccc2F)COC1 ZINC000171856455 197995626 /nfs/dbraw/zinc/99/56/26/197995626.db2.gz BSUCFUFJNGBLOM-UHFFFAOYSA-N 0 0 309.341 0.891 10 0 DCAERN O=C1NCCc2ccc(S(=O)(=O)N[C@H]3CCCOC3)cc21 ZINC000172065674 198033805 /nfs/dbraw/zinc/03/38/05/198033805.db2.gz JKNKPXKVHBWNKK-NSHDSACASA-N 0 0 310.375 0.430 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@]3(CCOC3)C2)CC1 ZINC000408273580 290933910 /nfs/dbraw/zinc/93/39/10/290933910.db2.gz RASSGWLEASAECQ-SEEARECTSA-N 0 0 311.378 0.984 10 0 DCAERN Cc1cnn(CCNC(=O)c2cccnc2N2CCOCC2)c1 ZINC000172126530 198043319 /nfs/dbraw/zinc/04/33/19/198043319.db2.gz KNIXQJGDRBUEDX-UHFFFAOYSA-N 0 0 315.377 0.853 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)on2)CCN1CCOC ZINC000172229688 198060921 /nfs/dbraw/zinc/06/09/21/198060921.db2.gz WNEIVQYHPSRXCD-LBPRGKRZSA-N 0 0 324.381 0.491 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)NCCc2ccsc2)CCO1 ZINC000172273769 198068953 /nfs/dbraw/zinc/06/89/53/198068953.db2.gz WKURHEMYRQRKSB-CYBMUJFWSA-N 0 0 311.407 0.837 10 0 DCAERN CCOCCN1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000172291944 198071662 /nfs/dbraw/zinc/07/16/62/198071662.db2.gz YFQZDGHGRJYXAE-UHFFFAOYSA-N 0 0 309.414 0.555 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389387 198089651 /nfs/dbraw/zinc/08/96/51/198089651.db2.gz WTYZWAXFKOEIPC-LLVKDONJSA-N 0 0 314.345 0.613 10 0 DCAERN COC[C@@H](C)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172489337 198104777 /nfs/dbraw/zinc/10/47/77/198104777.db2.gz KKKVWFJOZIKPNT-AWEZNQCLSA-N 0 0 323.441 0.920 10 0 DCAERN COCc1nc2ncc3c(ccn(-c4ccccn4)c3=O)n2n1 ZINC000072465787 191173778 /nfs/dbraw/zinc/17/37/78/191173778.db2.gz QXMZDUMWCWBXDQ-UHFFFAOYSA-N 0 0 308.301 0.970 10 0 DCAERN CCc1nc2nnc3c(ccn(Cc4ccccn4)c3=O)n2n1 ZINC000072466744 191173859 /nfs/dbraw/zinc/17/38/59/191173859.db2.gz OWVHICPGGQBIAP-UHFFFAOYSA-N 0 0 307.317 0.840 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000172756372 198145612 /nfs/dbraw/zinc/14/56/12/198145612.db2.gz PCIITZJGSLCMFT-CYBMUJFWSA-N 0 0 302.382 0.905 10 0 DCAERN CNC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000072857050 191239204 /nfs/dbraw/zinc/23/92/04/191239204.db2.gz KKJUVQKKKPOPKN-UHFFFAOYSA-N 0 0 313.405 0.736 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000173855011 198260801 /nfs/dbraw/zinc/26/08/01/198260801.db2.gz WCHKOZKFHGPVKA-HIFRSBDPSA-N 0 0 318.421 0.940 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000173886905 198265195 /nfs/dbraw/zinc/26/51/95/198265195.db2.gz YHTNHFMJZRCIMM-JSGCOSHPSA-N 0 0 305.378 0.178 10 0 DCAERN Cc1ccc(OCCC(=O)N[C@H]2CCC(=O)NC2=O)c(C)c1 ZINC000174274322 198313751 /nfs/dbraw/zinc/31/37/51/198313751.db2.gz DOMIYIGDOLFRCZ-LBPRGKRZSA-N 0 0 304.346 0.994 10 0 DCAERN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)N1CC(CO)C1 ZINC000182104301 199387195 /nfs/dbraw/zinc/38/71/95/199387195.db2.gz BZMCMTBFXAAIRT-OAHLLOKOSA-N 0 0 302.374 0.671 10 0 DCAERN COC(=O)C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccccc1 ZINC000174472876 198339044 /nfs/dbraw/zinc/33/90/44/198339044.db2.gz LWOVSIRCVCOYBU-UONOGXRCSA-N 0 0 306.362 0.738 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCC3CC3)C2=O)n(C)n1 ZINC000174761991 198381114 /nfs/dbraw/zinc/38/11/14/198381114.db2.gz XAGKBUQNGRBOQH-LBPRGKRZSA-N 0 0 305.382 0.933 10 0 DCAERN Cc1nc(CNC(=O)c2cn(CC(=O)C(C)(C)C)nn2)no1 ZINC000174888906 198397819 /nfs/dbraw/zinc/39/78/19/198397819.db2.gz QSWYYDXXEJZSCJ-UHFFFAOYSA-N 0 0 306.326 0.515 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000174905919 198399296 /nfs/dbraw/zinc/39/92/96/198399296.db2.gz ZXDCFBIOJBMBBV-ZDUSSCGKSA-N 0 0 316.361 0.553 10 0 DCAERN CC(C)c1nnc(CN2CCN(c3cnn(C)c3)CC2)n1C ZINC000174900261 198399380 /nfs/dbraw/zinc/39/93/80/198399380.db2.gz OUBMYRGYGQTHFD-UHFFFAOYSA-N 0 0 303.414 0.994 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccnc1 ZINC000174971637 198409895 /nfs/dbraw/zinc/40/98/95/198409895.db2.gz RWWKXWRQNUAWGR-FZMZJTMJSA-N 0 0 313.361 0.840 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)COCC3CC3)C2=O)n(C)n1 ZINC000175009692 198415771 /nfs/dbraw/zinc/41/57/71/198415771.db2.gz GCBRMPDIMLUJMQ-ZDUSSCGKSA-N 0 0 320.393 0.767 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408237882 283088207 /nfs/dbraw/zinc/08/82/07/283088207.db2.gz PVNFWGXMQQGQAB-RYUDHWBXSA-N 0 0 321.443 0.141 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cnc2ccccn2c1=O ZINC000077207429 191675034 /nfs/dbraw/zinc/67/50/34/191675034.db2.gz PVOGRESNSWJPKD-AAEUAGOBSA-N 0 0 301.346 0.975 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184064076 199668039 /nfs/dbraw/zinc/66/80/39/199668039.db2.gz GJFUGIUWZJPQMD-QWHCGFSZSA-N 0 0 321.425 0.910 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H](C(N)=O)O1 ZINC000092282409 545722307 /nfs/dbraw/zinc/72/23/07/545722307.db2.gz YKBAFJCQOXAXNN-MWLCHTKSSA-N 0 0 308.382 0.432 10 0 DCAERN Cc1nccc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000081486931 192274055 /nfs/dbraw/zinc/27/40/55/192274055.db2.gz UHAAXWMDUKRRET-LLVKDONJSA-N 0 0 304.272 0.994 10 0 DCAERN CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000114312980 283190510 /nfs/dbraw/zinc/19/05/10/283190510.db2.gz KCWXLDQZNFXIEC-GXTWGEPZSA-N 0 0 315.373 0.777 10 0 DCAERN CN1C[C@@H](NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CCC1=O ZINC000150734677 283199980 /nfs/dbraw/zinc/19/99/80/283199980.db2.gz UPRXOMVBBBKIJO-YVEFUNNKSA-N 0 0 316.357 0.895 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)CCC1=O ZINC000081497619 283197690 /nfs/dbraw/zinc/19/76/90/283197690.db2.gz KWVHPHQTJAEJNE-GZMMTYOYSA-N 0 0 309.288 0.316 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CCCN2c2nccs2)CCC1=O ZINC000150731743 283200719 /nfs/dbraw/zinc/20/07/19/283200719.db2.gz LNQSEKQAHKVBJN-WDEREUQCSA-N 0 0 308.407 0.849 10 0 DCAERN CN1C[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110953127 283226330 /nfs/dbraw/zinc/22/63/30/283226330.db2.gz TTZIUSKVKVREGM-ZIAGYGMSSA-N 0 0 309.410 0.178 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)NCc1ccc(CO)c(F)c1 ZINC000178624533 198899488 /nfs/dbraw/zinc/89/94/88/198899488.db2.gz WCXWHZOTBVBNJN-LBPRGKRZSA-N 0 0 303.355 0.916 10 0 DCAERN CN(CCc1nccs1)C(=O)CNC(=O)c1ccccn1 ZINC000179198229 198997440 /nfs/dbraw/zinc/99/74/40/198997440.db2.gz XGONKDLLDPPQOK-UHFFFAOYSA-N 0 0 304.375 0.969 10 0 DCAERN Cc1c(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000179335321 199017433 /nfs/dbraw/zinc/01/74/33/199017433.db2.gz WRZYENPRHKXHQC-SWLSCSKDSA-N 0 0 321.425 0.591 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000179414080 199031071 /nfs/dbraw/zinc/03/10/71/199031071.db2.gz JWLOSCDUTWMSPF-QWHCGFSZSA-N 0 0 306.410 0.745 10 0 DCAERN CC(C)NC(=O)c1ccccc1NC(=O)Cn1ncn(C)c1=O ZINC000179425506 199034014 /nfs/dbraw/zinc/03/40/14/199034014.db2.gz KMEJFTKCAPMFKA-UHFFFAOYSA-N 0 0 317.349 0.359 10 0 DCAERN CC[C@@H]1CN(C(=O)Nc2cnn(CC(=O)NC)c2)C[C@@H](C)O1 ZINC000179438263 199035360 /nfs/dbraw/zinc/03/53/60/199035360.db2.gz CVOKWWKXCMYCPP-ZYHUDNBSSA-N 0 0 309.370 0.660 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2CO)cn1 ZINC000179446803 199036804 /nfs/dbraw/zinc/03/68/04/199036804.db2.gz QQOYQWAZPFPGES-JQWIXIFHSA-N 0 0 309.370 0.302 10 0 DCAERN CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000179446788 199037029 /nfs/dbraw/zinc/03/70/29/199037029.db2.gz CNYWOZBUDIWXMM-LBPRGKRZSA-N 0 0 312.391 0.908 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000179406026 199030304 /nfs/dbraw/zinc/03/03/04/199030304.db2.gz WDRAFQAWWACNHK-UONOGXRCSA-N 0 0 307.394 0.764 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)NCC(=O)N2CCOCC2)cn1 ZINC000179770808 199078431 /nfs/dbraw/zinc/07/84/31/199078431.db2.gz HSFLMCYSBUDISF-CYBMUJFWSA-N 0 0 321.381 0.125 10 0 DCAERN COC[C@](C)(CCO)NC(=O)c1ncn(-c2ccccc2)n1 ZINC000179955159 199098553 /nfs/dbraw/zinc/09/85/53/199098553.db2.gz KCINUEVCFUXJIG-HNNXBMFYSA-N 0 0 304.350 0.785 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cc(=O)oc2cc(O)ccc12 ZINC000180229996 199133537 /nfs/dbraw/zinc/13/35/37/199133537.db2.gz IAORINJAJKURFW-GFCCVEGCSA-N 0 0 304.302 0.185 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180615957 199184918 /nfs/dbraw/zinc/18/49/18/199184918.db2.gz ZRJRLDURXYQTGK-CQSZACIVSA-N 0 0 305.378 0.751 10 0 DCAERN CN(C)C(=O)NCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000180637250 199188372 /nfs/dbraw/zinc/18/83/72/199188372.db2.gz PUHKBRVGYOSVDI-UHFFFAOYSA-N 0 0 303.322 0.738 10 0 DCAERN C[C@@H]1CCCCN1C(=O)CN1CCS(=O)(=O)C(C)(C)C1 ZINC000155157434 237035545 /nfs/dbraw/zinc/03/55/45/237035545.db2.gz DBNKOWZTGXSBPZ-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)O1 ZINC000155899234 237045168 /nfs/dbraw/zinc/04/51/68/237045168.db2.gz VMSMKIGSTQJOAB-QWHCGFSZSA-N 0 0 319.409 0.759 10 0 DCAERN CNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000006750853 283442560 /nfs/dbraw/zinc/44/25/60/283442560.db2.gz ZUDGZCTUNKFTBO-VIFPVBQESA-N 0 0 307.379 0.422 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173837372 237164307 /nfs/dbraw/zinc/16/43/07/237164307.db2.gz XXLBHUKTGQVUIE-SNVBAGLBSA-N 0 0 317.329 0.742 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000178818487 237238538 /nfs/dbraw/zinc/23/85/38/237238538.db2.gz OIBHAGGGXTVTTC-NXEZZACHSA-N 0 0 317.329 0.884 10 0 DCAERN C[C@@H]1CCCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000184399741 237288042 /nfs/dbraw/zinc/28/80/42/237288042.db2.gz QHTDWCWIQABRGD-LLVKDONJSA-N 0 0 303.366 0.779 10 0 DCAERN O=C(NCC1(CCO)CC1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000186512094 237317035 /nfs/dbraw/zinc/31/70/35/237317035.db2.gz CJTRISDNENUNTR-UHFFFAOYSA-N 0 0 304.346 0.839 10 0 DCAERN Cc1cc(C(C)C)nc(N2CCN([C@H]3CCNC3=O)CC2)n1 ZINC000186879563 237330281 /nfs/dbraw/zinc/33/02/81/237330281.db2.gz NDGFJIVILIJZJS-AWEZNQCLSA-N 0 0 303.410 0.919 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000187414507 200108944 /nfs/dbraw/zinc/10/89/44/200108944.db2.gz YWENKQLUFAIIQL-VXGBXAGGSA-N 0 0 308.378 0.928 10 0 DCAERN C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2F)CCN1CCO ZINC000187682272 237353027 /nfs/dbraw/zinc/35/30/27/237353027.db2.gz WRONYTQXFNZHHP-CQSZACIVSA-N 0 0 323.412 0.783 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC3(CCO)CC3)cnc12 ZINC000187958284 237365841 /nfs/dbraw/zinc/36/58/41/237365841.db2.gz LOOMLRVCSGCVOU-UHFFFAOYSA-N 0 0 301.346 0.895 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)c1 ZINC000281145018 216109207 /nfs/dbraw/zinc/10/92/07/216109207.db2.gz FAPSZTSRWAYENE-BBRMVZONSA-N 0 0 320.393 0.335 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000188724925 200294214 /nfs/dbraw/zinc/29/42/14/200294214.db2.gz LMXFGCNDMIJBFS-LBPRGKRZSA-N 0 0 314.407 0.382 10 0 DCAERN CC[C@@H]1CN(CC(=O)NCCC(=O)OC)CCN1CC(F)F ZINC000153708869 291208219 /nfs/dbraw/zinc/20/82/19/291208219.db2.gz OYWBCOFUAIJGQS-LLVKDONJSA-N 0 0 321.368 0.327 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000154953796 291217102 /nfs/dbraw/zinc/21/71/02/291217102.db2.gz YEONSTVSMMEOGS-UWVGGRQHSA-N 0 0 308.386 0.967 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCC(C)(C)C(=O)NCC ZINC000155575251 291220778 /nfs/dbraw/zinc/22/07/78/291220778.db2.gz MCXOZJLOVFETLR-UHFFFAOYSA-N 0 0 323.397 0.510 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000156051254 291223162 /nfs/dbraw/zinc/22/31/62/291223162.db2.gz CIUHDSJQDWSPAU-LBPRGKRZSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ncccc3F)CC2)CCC(=O)NC1 ZINC000281299590 216222071 /nfs/dbraw/zinc/22/20/71/216222071.db2.gz JCYLRXGUUAAPDT-MRXNPFEDSA-N 0 0 320.368 0.786 10 0 DCAERN CN(C)c1cccc(CNC(=O)Nc2ccc(C(N)=O)nc2)n1 ZINC000161998886 291242972 /nfs/dbraw/zinc/24/29/72/291242972.db2.gz CPDSIIIDYPETQY-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1F ZINC000162871014 291245100 /nfs/dbraw/zinc/24/51/00/291245100.db2.gz CFIWSIHLGKQTCW-UHFFFAOYSA-N 0 0 323.368 0.775 10 0 DCAERN O=C1CNC(=O)N1CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275933284 238314855 /nfs/dbraw/zinc/31/48/55/238314855.db2.gz KTCRHBGOGMTLBB-CYBMUJFWSA-N 0 0 317.393 0.977 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C[C@H]1O ZINC000299902888 291251367 /nfs/dbraw/zinc/25/13/67/291251367.db2.gz IOKCEDWKPCQWAK-KXUCPTDWSA-N 0 0 308.300 0.627 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000121577700 545750129 /nfs/dbraw/zinc/75/01/29/545750129.db2.gz YBJILSIDPSCAEA-UHFFFAOYSA-N 0 0 303.366 0.285 10 0 DCAERN Cn1nccc1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000328630348 291259523 /nfs/dbraw/zinc/25/95/23/291259523.db2.gz JHFWVQSTNMBSQT-CYBMUJFWSA-N 0 0 307.398 0.995 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000281468867 216323055 /nfs/dbraw/zinc/32/30/55/216323055.db2.gz HXODQJUSWBHWFM-WOPDTQHZSA-N 0 0 305.382 0.457 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000281563249 216387172 /nfs/dbraw/zinc/38/71/72/216387172.db2.gz LUAQUZXJMIWPAL-OCAPTIKFSA-N 0 0 302.352 0.485 10 0 DCAERN COC(=O)[C@@H](c1cccnc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000156834828 291297569 /nfs/dbraw/zinc/29/75/69/291297569.db2.gz YZTXRUYEWHUNOO-GFCCVEGCSA-N 0 0 312.391 0.805 10 0 DCAERN C[C@]1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C(=O)O1 ZINC000068258012 291352666 /nfs/dbraw/zinc/35/26/66/291352666.db2.gz MDERTUDTXQIIKH-MRXNPFEDSA-N 0 0 302.330 0.507 10 0 DCAERN CCS(=O)(=O)C1CN(C(=O)c2cccc3nccnc32)C1 ZINC000456314395 240899227 /nfs/dbraw/zinc/89/92/27/240899227.db2.gz LVFYBXXDVAUODU-UHFFFAOYSA-N 0 0 305.359 0.889 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(C)CCCCO1 ZINC000457747808 241034186 /nfs/dbraw/zinc/03/41/86/241034186.db2.gz AGWKIOXUFKIPMS-ZIBATOQPSA-N 0 0 314.382 0.518 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)nn1 ZINC000275307375 212262584 /nfs/dbraw/zinc/26/25/84/212262584.db2.gz CGXXBDAVLWTKRP-SMDDNHRTSA-N 0 0 317.349 0.869 10 0 DCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1(CO)CC1 ZINC000567767049 291376031 /nfs/dbraw/zinc/37/60/31/291376031.db2.gz YGOVRWVFOOXZTQ-UHFFFAOYSA-N 0 0 318.377 0.864 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1nc2nccc(C)n2n1 ZINC000042647304 283995717 /nfs/dbraw/zinc/99/57/17/283995717.db2.gz QRSZHFSEBDFIPM-JTQLQIEISA-N 0 0 303.322 0.600 10 0 DCAERN CC(C)c1nnc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)CCO2)o1 ZINC000275244946 212220856 /nfs/dbraw/zinc/22/08/56/212220856.db2.gz BUEWMXRHXISNSQ-GHMZBOCLSA-N 0 0 322.365 0.571 10 0 DCAERN NC(=O)[C@H]1COCCN1CCC(=O)N1CCc2ccccc21 ZINC000092229772 193177612 /nfs/dbraw/zinc/17/76/12/193177612.db2.gz CLFZQFJYCNFSKJ-CQSZACIVSA-N 0 0 303.362 0.152 10 0 DCAERN Cn1cc(C(=O)NC[C@H](O)CN2CCOCC2)c(C(C)(C)C)n1 ZINC000092237392 193177939 /nfs/dbraw/zinc/17/79/39/193177939.db2.gz FJLHHVAZVWEUGD-LBPRGKRZSA-N 0 0 324.425 0.141 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(=O)n1 ZINC000275165750 212166290 /nfs/dbraw/zinc/16/62/90/212166290.db2.gz VLBQHNJRZQUBQQ-LBPRGKRZSA-N 0 0 319.283 0.386 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000377155957 291439986 /nfs/dbraw/zinc/43/99/86/291439986.db2.gz WAKPNKZMLGAPGZ-QLFBSQMISA-N 0 0 324.421 0.899 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC000568825004 291448054 /nfs/dbraw/zinc/44/80/54/291448054.db2.gz CTZOELYLYMGXPJ-UHFFFAOYSA-N 0 0 308.382 0.058 10 0 DCAERN CC(=O)Nc1ccccc1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000093531428 193265332 /nfs/dbraw/zinc/26/53/32/193265332.db2.gz CYBMFBPROAOMIU-ZDUSSCGKSA-N 0 0 311.407 0.769 10 0 DCAERN COc1ccc(NC(=O)CN2CCO[C@@H](CO)C2)cc1Cl ZINC000094267625 193355486 /nfs/dbraw/zinc/35/54/86/193355486.db2.gz CFGMDNAXGLEWEZ-LLVKDONJSA-N 0 0 314.769 0.980 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cnc2nc(C)cc(C)n12 ZINC000093441386 284179384 /nfs/dbraw/zinc/17/93/84/284179384.db2.gz LNFHZGIKBXAPDX-STQMWFEESA-N 0 0 304.350 0.454 10 0 DCAERN Cc1cc([C@H]2CCCN(C(=O)NC[C@H]3CN(C)CCO3)C2)[nH]n1 ZINC000282554055 217085728 /nfs/dbraw/zinc/08/57/28/217085728.db2.gz XLBHSTQUQXSICQ-KBPBESRZSA-N 0 0 321.425 0.938 10 0 DCAERN CCOC(=O)C1(O)CCN(c2ncnc3c2cnn3C)CC1 ZINC000265772679 204861910 /nfs/dbraw/zinc/86/19/10/204861910.db2.gz JKIAPHYQBGDEDF-UHFFFAOYSA-N 0 0 305.338 0.258 10 0 DCAERN COC(=O)CNC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 ZINC000015453302 182002905 /nfs/dbraw/zinc/00/29/05/182002905.db2.gz SUBKMLJOYBYQLX-LBPRGKRZSA-N 0 0 304.346 0.946 10 0 DCAERN CCNC(=O)C(CC(=O)OC)=Nc1ccccc1OCCO ZINC000021946064 182299366 /nfs/dbraw/zinc/29/93/66/182299366.db2.gz UVVNONRFFRAVEZ-BENRWUELSA-N 0 0 308.334 0.663 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)N1CCN(CCO)CC1)c1ccccc1 ZINC000022944495 182343614 /nfs/dbraw/zinc/34/36/14/182343614.db2.gz AKCAJOOUJVKAEH-HUUCEWRRSA-N 0 0 305.422 0.862 10 0 DCAERN C[C@@H](c1c(F)cccc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000248069789 296223141 /nfs/dbraw/zinc/22/31/41/296223141.db2.gz MMRKZJWUMJRIHD-UWVGGRQHSA-N 0 0 309.316 0.668 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000364957906 291624203 /nfs/dbraw/zinc/62/42/03/291624203.db2.gz WPRZUTPABOXPLI-TUVASFSCSA-N 0 0 323.437 0.422 10 0 DCAERN Cn1nc(S(C)(=O)=O)c2c1ncn(Cc1ccccc1)c2=O ZINC000573550890 291638905 /nfs/dbraw/zinc/63/89/05/291638905.db2.gz DZTGEIPHLSIYNX-UHFFFAOYSA-N 0 0 318.358 0.582 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@@H]1CCCC[C@@H]1CO ZINC000130052727 545784668 /nfs/dbraw/zinc/78/46/68/545784668.db2.gz UUFMMJACZLSCDE-CHWSQXEVSA-N 0 0 318.439 0.662 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249023565 296260039 /nfs/dbraw/zinc/26/00/39/296260039.db2.gz KNUMPGKJLQMPJW-MCIONIFRSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)NC(=O)NC1CCCCC1 ZINC000189337661 296260069 /nfs/dbraw/zinc/26/00/69/296260069.db2.gz YXGYSIICLZHRRP-LLVKDONJSA-N 0 0 310.398 0.355 10 0 DCAERN COCC(=O)NCCc1nc2ccccc2n1CC(=O)OC ZINC000040198055 183045458 /nfs/dbraw/zinc/04/54/58/183045458.db2.gz LILUGMOMROWAIJ-UHFFFAOYSA-N 0 0 305.334 0.514 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(N)=S)cc1 ZINC000041513216 183195877 /nfs/dbraw/zinc/19/58/77/183195877.db2.gz ACCACBWCHJVZLO-UHFFFAOYSA-N 0 0 301.393 0.552 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000042483616 183276099 /nfs/dbraw/zinc/27/60/99/183276099.db2.gz FBDMXMMTGSZPPU-VIFPVBQESA-N 0 0 308.787 0.550 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C)C1 ZINC000574465597 291697281 /nfs/dbraw/zinc/69/72/81/291697281.db2.gz ZHSFGMGQXWWKPR-GFCCVEGCSA-N 0 0 317.397 0.711 10 0 DCAERN C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(Cl)s1 ZINC000104693768 194027992 /nfs/dbraw/zinc/02/79/92/194027992.db2.gz GLTHYJYQCJHNAZ-MRVPVSSYSA-N 0 0 301.799 0.838 10 0 DCAERN COc1ccnc(N2CCN(Cc3nnnn3C(C)C)CC2)c1 ZINC000104720329 194031506 /nfs/dbraw/zinc/03/15/06/194031506.db2.gz IJOOWAHBQHPOBA-UHFFFAOYSA-N 0 0 317.397 0.980 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000105598775 194114144 /nfs/dbraw/zinc/11/41/44/194114144.db2.gz BVCRRGSFENJOJW-SNVBAGLBSA-N 0 0 304.354 0.427 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105805325 194134064 /nfs/dbraw/zinc/13/40/64/194134064.db2.gz KGYARTZXUVDSPI-ZDUSSCGKSA-N 0 0 321.425 0.894 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000105856083 194147799 /nfs/dbraw/zinc/14/77/99/194147799.db2.gz RSNRAAACOIPNCN-GFCCVEGCSA-N 0 0 309.370 0.920 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CCN([C@H]3CCOC3=O)CC2)n1 ZINC000105882329 194155525 /nfs/dbraw/zinc/15/55/25/194155525.db2.gz JORJQAXMBXEVGU-LBPRGKRZSA-N 0 0 316.365 0.109 10 0 DCAERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H]1CNC(=O)C1 ZINC000110352299 194324803 /nfs/dbraw/zinc/32/48/03/194324803.db2.gz HWQBNYLYNUBYHI-LURJTMIESA-N 0 0 309.709 0.746 10 0 DCAERN NC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000110787666 194358185 /nfs/dbraw/zinc/35/81/85/194358185.db2.gz KWFUMSJPLJUVRF-UHFFFAOYSA-N 0 0 323.316 0.291 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000110898787 194368160 /nfs/dbraw/zinc/36/81/60/194368160.db2.gz DWDTUZUVZOCZEX-KBPBESRZSA-N 0 0 320.393 0.206 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082763 194390013 /nfs/dbraw/zinc/39/00/13/194390013.db2.gz KGIMUJWTMKCISE-ZIAGYGMSSA-N 0 0 311.382 0.552 10 0 DCAERN CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000057329098 184033587 /nfs/dbraw/zinc/03/35/87/184033587.db2.gz PEAUZZZAXUQSRA-UHFFFAOYSA-N 0 0 312.370 0.164 10 0 DCAERN CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C(C)(C)C(=O)[O-])C2=O ZINC000057843667 184056990 /nfs/dbraw/zinc/05/69/90/184056990.db2.gz VEVOBGPBIDEUJX-UHFFFAOYSA-N 0 0 311.382 0.892 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(=O)[O-] ZINC000058582229 184123599 /nfs/dbraw/zinc/12/35/99/184123599.db2.gz LSLXWOCIIFUZCQ-SDDRHHMPSA-N 0 0 315.414 0.336 10 0 DCAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@@H](O)C1 ZINC000061712249 184185066 /nfs/dbraw/zinc/18/50/66/184185066.db2.gz YSINFIUSYRIURQ-MRVPVSSYSA-N 0 0 301.755 0.743 10 0 DCAERN CC(=O)N[C@@H]1[C@H](O)[C@H](F)[C@H](CO)O[C@@H]1OCc1ccccc1 ZINC000065734558 184378228 /nfs/dbraw/zinc/37/82/28/184378228.db2.gz HAJHAJQQMKGKKF-JARUQAPTSA-N 0 0 313.325 0.124 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000088685206 252590107 /nfs/dbraw/zinc/59/01/07/252590107.db2.gz UWCZFVBBXJXMIC-JTQLQIEISA-N 0 0 302.400 0.107 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)COc2c(C)nn(C)c2C)CC1 ZINC000179406725 252610899 /nfs/dbraw/zinc/61/08/99/252610899.db2.gz GDWAGWRCKCOPKK-CQSZACIVSA-N 0 0 324.425 0.331 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCOC3(CCC3)C2)c1 ZINC000179735583 252611156 /nfs/dbraw/zinc/61/11/56/252611156.db2.gz JNOCLVYDORZKHC-UHFFFAOYSA-N 0 0 310.375 0.729 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)NCc1cn2c(n1)CCCC2 ZINC000263702717 252615433 /nfs/dbraw/zinc/61/54/33/252615433.db2.gz BZVYPCDUXADJCP-ZDUSSCGKSA-N 0 0 321.425 0.739 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@](O)(CO)C2)C1 ZINC000313651165 252642981 /nfs/dbraw/zinc/64/29/81/252642981.db2.gz BEAMIORZFKSDEQ-JHJVBQTASA-N 0 0 306.428 0.028 10 0 DCAERN C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000333007688 252670361 /nfs/dbraw/zinc/67/03/61/252670361.db2.gz AJPSCECVNNQAMP-UTUOFQBUSA-N 0 0 320.397 0.912 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000333070673 252676265 /nfs/dbraw/zinc/67/62/65/252676265.db2.gz KFGWQVXVFGMXCA-SDDRHHMPSA-N 0 0 306.370 0.292 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)NC[C@@H]1COCCO1 ZINC000333747061 252758992 /nfs/dbraw/zinc/75/89/92/252758992.db2.gz MOJCFGFIDOODCQ-CHWSQXEVSA-N 0 0 313.398 0.348 10 0 DCAERN CC(=O)CSCC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000337714745 252887249 /nfs/dbraw/zinc/88/72/49/252887249.db2.gz FBICITIRGWRXOY-WDEREUQCSA-N 0 0 322.452 0.143 10 0 DCAERN CC(=O)N1CCN(C(=O)CSCCn2cc(C)cn2)CC1 ZINC000340620526 253284737 /nfs/dbraw/zinc/28/47/37/253284737.db2.gz POOYCJDWIVRTSL-UHFFFAOYSA-N 0 0 310.423 0.615 10 0 DCAERN O=C1NCC[C@H]1N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186792211 296377000 /nfs/dbraw/zinc/37/70/00/296377000.db2.gz YQOWHPKHXJBDHL-SSDOTTSWSA-N 0 0 321.328 0.567 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286507252 219026570 /nfs/dbraw/zinc/02/65/70/219026570.db2.gz AFNAALJXODSOOF-HZGVNTEJSA-N 0 0 321.761 0.820 10 0 DCAERN CO[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](C)OC ZINC000189148054 533094307 /nfs/dbraw/zinc/09/43/07/533094307.db2.gz NHODJEKHOUAQAT-LPWJVIDDSA-N 0 0 300.399 0.705 10 0 DCAERN COC[C@@H]1CN(Cc2nnn(CC(F)(F)F)n2)CC(C)(C)O1 ZINC000343339063 253640742 /nfs/dbraw/zinc/64/07/42/253640742.db2.gz KLZXVSIEMUKZLL-VIFPVBQESA-N 0 0 323.319 0.861 10 0 DCAERN CCN1C(=O)CC[C@@H](C(=O)N2CC[C@H](O)C2)[C@@H]1c1cnn(C)c1 ZINC000408388331 285156855 /nfs/dbraw/zinc/15/68/55/285156855.db2.gz CDCORVDMTIFFAG-GUTXKFCHSA-N 0 0 320.393 0.313 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)[C@H](O)Cc2cnn(C)c2)c1 ZINC000346075780 254005849 /nfs/dbraw/zinc/00/58/49/254005849.db2.gz OQIJNVMEEDMKFF-OAHLLOKOSA-N 0 0 316.361 0.945 10 0 DCAERN COCc1csc(NC(=O)Cn2nc3ccccn3c2=O)n1 ZINC000115241061 220443580 /nfs/dbraw/zinc/44/35/80/220443580.db2.gz JXMMKMHUMIMBSS-UHFFFAOYSA-N 0 0 319.346 0.738 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)CCOc2ccc(F)cc2)C1 ZINC000348491462 254239914 /nfs/dbraw/zinc/23/99/14/254239914.db2.gz CFOQJMKQBMVQQT-STQMWFEESA-N 0 0 310.325 0.696 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)NC[C@H]2CC[C@@H](CO)O2)c1 ZINC000349671781 254292287 /nfs/dbraw/zinc/29/22/87/254292287.db2.gz UJZKQBBMOUFTFZ-CABCVRRESA-N 0 0 320.389 0.635 10 0 DCAERN CC1CCN(S(=O)(=O)NCC[C@H](O)C(F)(F)F)CC1 ZINC000349969309 254306469 /nfs/dbraw/zinc/30/64/69/254306469.db2.gz HWHKDTCINSHHDJ-VIFPVBQESA-N 0 0 304.334 0.866 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC[C@H](O)C(F)(F)F)C1 ZINC000349968280 254306594 /nfs/dbraw/zinc/30/65/94/254306594.db2.gz HEBRLTCLYUNVBU-IUCAKERBSA-N 0 0 304.334 0.866 10 0 DCAERN CCn1cnc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c1 ZINC000349963390 254306705 /nfs/dbraw/zinc/30/67/05/254306705.db2.gz CSQAYBYDLQRMDK-SSDOTTSWSA-N 0 0 301.290 0.495 10 0 DCAERN Cc1noc(C)c1CSCC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350620428 254319929 /nfs/dbraw/zinc/31/99/29/254319929.db2.gz NNUUUHLFVIYFIV-SSDOTTSWSA-N 0 0 321.424 0.318 10 0 DCAERN COC(=O)[C@H]1COCCN1S(=O)(=O)CCCC(F)(F)F ZINC000165872916 291918147 /nfs/dbraw/zinc/91/81/47/291918147.db2.gz KCOWKPGCEVHTQF-MRVPVSSYSA-N 0 0 319.301 0.533 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)c1c(C)noc1C ZINC000151948191 196750980 /nfs/dbraw/zinc/75/09/80/196750980.db2.gz WFMDFJOEJTZDBN-VIFPVBQESA-N 0 0 317.411 0.793 10 0 DCAERN CCN1CCN(C(=O)[C@@]2(O)CCSC2)C[C@H]1c1ncc[nH]1 ZINC000328614603 285304646 /nfs/dbraw/zinc/30/46/46/285304646.db2.gz ALZCHUCWIJUZEH-SMDDNHRTSA-N 0 0 310.423 0.483 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)c3cccnc3)CC[C@@H]2S1(=O)=O ZINC000249696157 257107191 /nfs/dbraw/zinc/10/71/91/257107191.db2.gz SCZUUQCOOSOLSQ-KBPBESRZSA-N 0 0 323.418 0.968 10 0 DCAERN Cc1noc([C@@H]2C[C@@H]3OCC[C@@H]3N(S(=O)(=O)N(C)C)C2)n1 ZINC000247978513 257113010 /nfs/dbraw/zinc/11/30/10/257113010.db2.gz WTSUVAVOGUJMCD-VWYCJHECSA-N 0 0 316.383 0.131 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CCN(Cc3cccnc3OC)C[C@@H]2O1 ZINC000247915579 257115174 /nfs/dbraw/zinc/11/51/74/257115174.db2.gz ZEQXASBYTWJBFC-XBFCOCLRSA-N 0 0 305.378 0.816 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3cc(C)on3)C[C@H]2O1 ZINC000247907828 257115423 /nfs/dbraw/zinc/11/54/23/257115423.db2.gz KMDCUXSKSQYMNB-VHDGCEQUSA-N 0 0 323.393 0.725 10 0 DCAERN O=C([C@@H]1CN(c2ncccn2)Cc2cncn21)N1CCCO1 ZINC000247841052 257116052 /nfs/dbraw/zinc/11/60/52/257116052.db2.gz FMLYQIDPGHYKTG-LBPRGKRZSA-N 0 0 300.322 0.398 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1 ZINC000247840189 257116172 /nfs/dbraw/zinc/11/61/72/257116172.db2.gz KPPPEUMTIQORIM-VWYCJHECSA-N 0 0 312.395 0.285 10 0 DCAERN O=C(c1cnccn1)N1C[C@@H]2CN(c3cncnc3)C(=O)[C@@H]2C1 ZINC000247847263 257117096 /nfs/dbraw/zinc/11/70/96/257117096.db2.gz FCRHAYOQOZNRGL-ZYHUDNBSSA-N 0 0 310.317 0.002 10 0 DCAERN O=C(C[C@@H]1CO[C@H]2CN(c3ncccn3)C[C@H]21)N1CCCC1 ZINC000247770108 257117298 /nfs/dbraw/zinc/11/72/98/257117298.db2.gz NXQGLEAQNYQQAA-RDBSUJKOSA-N 0 0 302.378 0.940 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3ccco3)C[C@H]21 ZINC000247531498 257119550 /nfs/dbraw/zinc/11/95/50/257119550.db2.gz OYBPMKBKODSTAI-GHMZBOCLSA-N 0 0 314.363 0.155 10 0 DCAERN CS(=O)(=O)N1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000247498867 257119819 /nfs/dbraw/zinc/11/98/19/257119819.db2.gz DWILIXBMKLLOJT-LLVKDONJSA-N 0 0 312.395 0.329 10 0 DCAERN O=C([O-])[C@H](Cn1cc(Cl)c(=O)[nH]c1=O)[NH2+]C1CCCCC1 ZINC000067896100 257215402 /nfs/dbraw/zinc/21/54/02/257215402.db2.gz CTMFRJWZWLLCGO-JTQLQIEISA-N 0 0 315.757 0.566 10 0 biogenic DCAERN COc1c(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C)nn1C ZINC000181935818 533415007 /nfs/dbraw/zinc/41/50/07/533415007.db2.gz VZPDVELTIVEMRV-JTQLQIEISA-N 0 0 316.427 0.203 10 0 DCAERN COc1cc(C#N)ccc1CN1CCC([C@H](O)C(N)=O)CC1 ZINC000299753557 533494160 /nfs/dbraw/zinc/49/41/60/533494160.db2.gz YPHUFGXAGGIZTP-HNNXBMFYSA-N 0 0 303.362 0.625 10 0 DCAERN COc1cccc(NC(=O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000187722565 533600519 /nfs/dbraw/zinc/60/05/19/533600519.db2.gz CCMUMRUXUZREQF-CYBMUJFWSA-N 0 0 307.394 0.632 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NCCn2cccc2)CCN1C ZINC000275339783 130306108 /nfs/dbraw/zinc/30/61/08/130306108.db2.gz ATKCUNNIWGFRSD-CQSZACIVSA-N 0 0 316.409 0.920 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C)[C@H](c2nccn2C)C1 ZINC000275569593 130337910 /nfs/dbraw/zinc/33/79/10/130337910.db2.gz ISUPUWWTSILEOR-XQQFMLRXSA-N 0 0 307.398 0.596 10 0 DCAERN Cn1ccnc(N2CCC[C@@H](Nc3ncc(F)cn3)C2)c1=O ZINC000275579637 130341420 /nfs/dbraw/zinc/34/14/20/130341420.db2.gz JMFMWQGULKVTHQ-LLVKDONJSA-N 0 0 304.329 0.790 10 0 DCAERN Cc1cc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C)c(C)o1 ZINC000283781244 131022041 /nfs/dbraw/zinc/02/20/41/131022041.db2.gz KXSXHFOTBVTESI-LLVKDONJSA-N 0 0 316.365 0.906 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000283815251 131026497 /nfs/dbraw/zinc/02/64/97/131026497.db2.gz JFGWRZBFLJJULO-ZDUSSCGKSA-N 0 0 318.377 0.958 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CC[C@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000284222400 131060495 /nfs/dbraw/zinc/06/04/95/131060495.db2.gz CVWVIQGHTDHEII-LSDHHAIUSA-N 0 0 306.410 0.621 10 0 DCAERN CN(C)C(=O)COC[C@@H]1CN(Cc2ncc[nH]2)CC(C)(C)O1 ZINC000284477237 131084712 /nfs/dbraw/zinc/08/47/12/131084712.db2.gz GGRKOEDHPPQEDF-LBPRGKRZSA-N 0 0 310.398 0.494 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000284515697 131088584 /nfs/dbraw/zinc/08/85/84/131088584.db2.gz FANRTGVGZNTCTL-ASEORRQLSA-N 0 0 320.393 0.263 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC000284528821 131089603 /nfs/dbraw/zinc/08/96/03/131089603.db2.gz CIIBXGQHPYMAHN-VXGBXAGGSA-N 0 0 301.350 0.274 10 0 DCAERN C[C@H]1OCCN(Cc2c(Br)cnn2C)[C@@H]1C(N)=O ZINC000284635378 131099178 /nfs/dbraw/zinc/09/91/78/131099178.db2.gz OHTFPYABUWOOKA-XCBNKYQSSA-N 0 0 317.187 0.257 10 0 DCAERN CSCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000284720630 131106198 /nfs/dbraw/zinc/10/61/98/131106198.db2.gz CKFWODODGUDKEG-QMTHXVAHSA-N 0 0 308.407 0.704 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 ZINC000284943136 131125012 /nfs/dbraw/zinc/12/50/12/131125012.db2.gz JMGFYEIWXVSHEI-KOLCDFICSA-N 0 0 304.318 0.721 10 0 DCAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@](O)(C(N)=O)C1)C2 ZINC000285581414 131182909 /nfs/dbraw/zinc/18/29/09/131182909.db2.gz QKQPHKKBSHZQMZ-RHSMWYFYSA-N 0 0 318.373 0.446 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000285585447 131183349 /nfs/dbraw/zinc/18/33/49/131183349.db2.gz QQHHIGPINWOGKO-LSYCYVAJSA-N 0 0 324.327 0.907 10 0 DCAERN C[C@H]1CN(c2nccnc2OC(F)F)CCS(=O)(=O)C1 ZINC000289527672 131393660 /nfs/dbraw/zinc/39/36/60/131393660.db2.gz DQKCHPZEGGZQLX-QMMMGPOBSA-N 0 0 307.322 0.949 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@@H](C)CO1 ZINC000291741978 131595906 /nfs/dbraw/zinc/59/59/06/131595906.db2.gz LTVWIOCSSUEWGV-VHSXEESVSA-N 0 0 306.366 0.872 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(Cl)ncc1Cl ZINC000121846096 132160811 /nfs/dbraw/zinc/16/08/11/132160811.db2.gz NFLOJBAQFQCHFU-SSDOTTSWSA-N 0 0 302.117 0.923 10 0 DCAERN C[C@H]1NC(=O)[C@H]2CN(Cc3cccc4ncccc34)CCN2C1=O ZINC000014542373 395689590 /nfs/dbraw/zinc/68/95/90/395689590.db2.gz PTISZSARPKBQDS-MLGOLLRUSA-N 0 0 324.384 0.766 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000017637487 395690764 /nfs/dbraw/zinc/69/07/64/395690764.db2.gz DJZDUFKBZRILCG-CYBMUJFWSA-N 0 0 324.402 0.337 10 0 DCAERN O=C1NC(=O)[C@@H](CCS(=O)(=O)Nc2cccc(Cl)c2)N1 ZINC000001595854 395680925 /nfs/dbraw/zinc/68/09/25/395680925.db2.gz YDECWPVBRRGPND-SECBINFHSA-N 0 0 317.754 0.680 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)(C)O ZINC000087040169 395705635 /nfs/dbraw/zinc/70/56/35/395705635.db2.gz MQIGNQFGIFURFP-UHFFFAOYSA-N 0 0 305.352 0.732 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000089169498 395709018 /nfs/dbraw/zinc/70/90/18/395709018.db2.gz UJQNCFJYMITNIK-PSASIEDQSA-N 0 0 317.367 0.026 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(F)c(F)c(F)c1F ZINC000089753617 395714502 /nfs/dbraw/zinc/71/45/02/395714502.db2.gz HOAHVHODYFOOBF-ZCFIWIBFSA-N 0 0 304.199 0.778 10 0 DCAERN COC(=O)CCCCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000035177086 395719319 /nfs/dbraw/zinc/71/93/19/395719319.db2.gz MWMYVUHZMLFDGM-RYUDHWBXSA-N 0 0 322.427 0.663 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000035234346 395719709 /nfs/dbraw/zinc/71/97/09/395719709.db2.gz AKQZCLAAFJYMDH-UHFFFAOYSA-N 0 0 318.826 0.947 10 0 DCAERN CCn1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000027971215 395695565 /nfs/dbraw/zinc/69/55/65/395695565.db2.gz KFGKBBTYHCQCFE-UHFFFAOYSA-N 0 0 308.363 0.480 10 0 DCAERN COC(=O)C[C@@H](C(=O)OC)N1CCN(c2ccccc2)CC1 ZINC000039280784 395732368 /nfs/dbraw/zinc/73/23/68/395732368.db2.gz NCRIFCIBKWCTPS-AWEZNQCLSA-N 0 0 306.362 0.913 10 0 DCAERN CC(=O)NCCNS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037555837 395727806 /nfs/dbraw/zinc/72/78/06/395727806.db2.gz XRLWEMTZGQOFFN-UHFFFAOYSA-N 0 0 316.770 0.402 10 0 DCAERN O=C([C@@H]1CCCC12OCCO2)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376233159 304312679 /nfs/dbraw/zinc/31/26/79/304312679.db2.gz YFGNNZQPPMDOIR-IHRRRGAJSA-N 0 0 311.378 0.936 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000094154785 395739925 /nfs/dbraw/zinc/73/99/25/395739925.db2.gz IRQWZNABYCJEHL-RYUDHWBXSA-N 0 0 321.425 0.961 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](C)CCCO)cc1 ZINC000094941361 395740450 /nfs/dbraw/zinc/74/04/50/395740450.db2.gz USMPTAJUXUMHNW-NSHDSACASA-N 0 0 315.391 0.841 10 0 DCAERN C[C@@H]1CCN(CC2=NS(=O)(=O)c3ccccc3N2)C[C@@H]1O ZINC000093343113 395738361 /nfs/dbraw/zinc/73/83/61/395738361.db2.gz DJPYMSWTXREYIB-PWSUYJOCSA-N 0 0 309.391 0.902 10 0 DCAERN O=C([C@@H]1CCCCC(=O)N1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408447168 304314959 /nfs/dbraw/zinc/31/49/59/304314959.db2.gz BSOFFGFAAKLYAW-JOYOIKCWSA-N 0 0 308.300 0.961 10 0 DCAERN OC[C@@H]1O[C@@H](OCCCC2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106382369 395782438 /nfs/dbraw/zinc/78/24/38/395782438.db2.gz DQXKLNVVAXZAEN-VYDRJRHOSA-N 0 0 304.383 0.163 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000047100557 395787768 /nfs/dbraw/zinc/78/77/68/395787768.db2.gz BBWABYMXFUEVOG-STQMWFEESA-N 0 0 305.382 0.876 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2CCCO2)s1 ZINC000108284896 395788014 /nfs/dbraw/zinc/78/80/14/395788014.db2.gz DOGIVYUGJDOBSG-SECBINFHSA-N 0 0 318.420 0.623 10 0 DCAERN C[C@H](CO)NC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000045272226 395762151 /nfs/dbraw/zinc/76/21/51/395762151.db2.gz ZJZNTAZYVJECCG-GFCCVEGCSA-N 0 0 305.378 0.971 10 0 DCAERN O=C(c1cnsn1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000194141377 395789286 /nfs/dbraw/zinc/78/92/86/395789286.db2.gz MBRHKVIRTLOIEH-SNVBAGLBSA-N 0 0 310.379 0.249 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)NCCc2nc(C)no2)C1 ZINC000102035529 395768734 /nfs/dbraw/zinc/76/87/34/395768734.db2.gz MUNKSDHJRLYQCM-LLVKDONJSA-N 0 0 310.354 0.905 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000046165652 395772297 /nfs/dbraw/zinc/77/22/97/395772297.db2.gz NQPZQEJHIMXVSH-NSHDSACASA-N 0 0 301.350 0.923 10 0 DCAERN CCOc1ccc(OCC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000194638977 395803639 /nfs/dbraw/zinc/80/36/39/395803639.db2.gz HFNSXDXVTHASMX-OAHLLOKOSA-N 0 0 308.378 0.911 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)CCCOC)C1 ZINC000111341063 395807548 /nfs/dbraw/zinc/80/75/48/395807548.db2.gz AJJHIGLHDWKIHG-GFCCVEGCSA-N 0 0 316.427 0.844 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)NC(C)C ZINC000111812789 395813329 /nfs/dbraw/zinc/81/33/29/395813329.db2.gz IKHSOHULXMXZEV-CYBMUJFWSA-N 0 0 314.430 0.311 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000195040069 395813944 /nfs/dbraw/zinc/81/39/44/395813944.db2.gz WGHFOUWKLPWLIX-OAHLLOKOSA-N 0 0 312.377 0.973 10 0 DCAERN CC(=O)O[C@H]1[C@@H]2OC(=O)C[C@H]2O[C@@H](OCc2ccccc2)[C@@H]1O ZINC000048546860 395816962 /nfs/dbraw/zinc/81/69/62/395816962.db2.gz LJOGUWIZCAHQIF-JPIRQXTESA-N 0 0 322.313 0.536 10 0 DCAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648294 395819903 /nfs/dbraw/zinc/81/99/03/395819903.db2.gz NVTIMDIRUUTMBX-VHSXEESVSA-N 0 0 309.370 0.622 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270898414 395820506 /nfs/dbraw/zinc/82/05/06/395820506.db2.gz QWHMAEYWQYKHSO-MNOVXSKESA-N 0 0 303.366 0.524 10 0 DCAERN CCOC1CC(CNC(=O)[C@H](C)COC)(N2CCOCC2)C1 ZINC000195200086 395821003 /nfs/dbraw/zinc/82/10/03/395821003.db2.gz HXLGXTJFGBGTBR-VQCLRJIVSA-N 0 0 314.426 0.655 10 0 DCAERN C[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000195217495 395821467 /nfs/dbraw/zinc/82/14/67/395821467.db2.gz WDDWHEOFKCMZMP-GXFFZTMASA-N 0 0 312.391 0.772 10 0 DCAERN COC(=O)CCCN(C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000048666663 395821580 /nfs/dbraw/zinc/82/15/80/395821580.db2.gz JLAYZXCNCDYPIH-UHFFFAOYSA-N 0 0 323.802 0.956 10 0 DCAERN CC1(CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)COC1 ZINC000112693746 395821887 /nfs/dbraw/zinc/82/18/87/395821887.db2.gz FTJFFJMOSMBIGU-UHFFFAOYSA-N 0 0 316.361 0.836 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112739039 395823160 /nfs/dbraw/zinc/82/31/60/395823160.db2.gz LAQAMEFPRNLWIQ-GFCCVEGCSA-N 0 0 303.370 0.556 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000112911323 395825585 /nfs/dbraw/zinc/82/55/85/395825585.db2.gz ZWMJIMLKJXQELB-BXUZGUMPSA-N 0 0 303.362 0.775 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)[C@@H]1C ZINC000112895062 395825656 /nfs/dbraw/zinc/82/56/56/395825656.db2.gz SBBSFWIYSPHQRR-QWRGUYRKSA-N 0 0 304.350 0.544 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000195466022 395828020 /nfs/dbraw/zinc/82/80/20/395828020.db2.gz HNETVUWRHJMZHG-NSHDSACASA-N 0 0 302.400 0.205 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000049170079 395828978 /nfs/dbraw/zinc/82/89/78/395828978.db2.gz JZCUWVVNMYCPPM-LSDHHAIUSA-N 0 0 321.421 0.762 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000113392113 395829526 /nfs/dbraw/zinc/82/95/26/395829526.db2.gz VZQYKYMHGONHGP-STQMWFEESA-N 0 0 316.361 0.641 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000118115553 395859688 /nfs/dbraw/zinc/85/96/88/395859688.db2.gz PCELVQWZPABZOW-GFCCVEGCSA-N 0 0 311.769 0.725 10 0 DCAERN CCc1nnc(CSc2nnc3[nH]c(=O)c(C)nn32)n1C ZINC000114860686 395837812 /nfs/dbraw/zinc/83/78/12/395837812.db2.gz HINLROZSFAWSCT-UHFFFAOYSA-N 0 0 306.355 0.517 10 0 DCAERN CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000050824740 395840480 /nfs/dbraw/zinc/84/04/80/395840480.db2.gz RKTVWAAAZLMBLA-UHFFFAOYSA-N 0 0 315.395 0.564 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)ccc1F ZINC000118115293 395860425 /nfs/dbraw/zinc/86/04/25/395860425.db2.gz QAIRJIKTXZLXPH-LBPRGKRZSA-N 0 0 309.341 0.519 10 0 DCAERN Cn1cc([C@H]2CCN(CC(=O)NC(=O)NC(C)(C)C)C2)cn1 ZINC000116318817 395843218 /nfs/dbraw/zinc/84/32/18/395843218.db2.gz ZNKAFNSNAYRNRM-NSHDSACASA-N 0 0 307.398 0.834 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116370639 395844102 /nfs/dbraw/zinc/84/41/02/395844102.db2.gz HFSMZSKAGQOACO-NSHDSACASA-N 0 0 315.395 0.492 10 0 DCAERN O=S(=O)(N1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220318222 395848026 /nfs/dbraw/zinc/84/80/26/395848026.db2.gz UMMYSDYPJOHJFT-CHWSQXEVSA-N 0 0 304.412 0.190 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cn1 ZINC000271225395 395848559 /nfs/dbraw/zinc/84/85/59/395848559.db2.gz OMGGCEDUPHOXPA-PWSUYJOCSA-N 0 0 317.349 0.455 10 0 DCAERN Cc1ccc(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116892399 395848919 /nfs/dbraw/zinc/84/89/19/395848919.db2.gz GHNHDNNOEZTQNF-CYBMUJFWSA-N 0 0 311.407 0.557 10 0 DCAERN Cc1nn(C)c(Cl)c1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116890437 395849030 /nfs/dbraw/zinc/84/90/30/395849030.db2.gz QICJDPWDSMHECM-SECBINFHSA-N 0 0 306.819 0.505 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2)CCN1CCOC ZINC000117526655 395853151 /nfs/dbraw/zinc/85/31/51/395853151.db2.gz QMRJPZRQGLFMSC-AWEZNQCLSA-N 0 0 320.393 0.589 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3F)CCO1 ZINC000051712482 395854191 /nfs/dbraw/zinc/85/41/91/395854191.db2.gz CLZLLCXAUPQTTB-CHWSQXEVSA-N 0 0 307.325 0.709 10 0 DCAERN Cc1cnn(CCNC(=O)c2cnc3ccc(C)cn3c2=O)c1 ZINC000117810996 395855312 /nfs/dbraw/zinc/85/53/12/395855312.db2.gz DMJSJMDIKYJTAI-UHFFFAOYSA-N 0 0 311.345 0.938 10 0 DCAERN Cc1cnn(CCNC(=O)NCCNC(=O)c2cccnc2)c1 ZINC000118059368 395856988 /nfs/dbraw/zinc/85/69/88/395856988.db2.gz AKUBTZZRZLLXSM-UHFFFAOYSA-N 0 0 316.365 0.316 10 0 DCAERN CN(CC(=O)Nc1ccccc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000047547898 395795126 /nfs/dbraw/zinc/79/51/26/395795126.db2.gz PZRKXOIKNRRWRF-LBPRGKRZSA-N 0 0 303.362 0.952 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000194401868 395795660 /nfs/dbraw/zinc/79/56/60/395795660.db2.gz SYJDSAHBVOOYLB-MRVPVSSYSA-N 0 0 310.741 0.411 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000047601125 395796983 /nfs/dbraw/zinc/79/69/83/395796983.db2.gz FNHKMUWHAVRVCL-JQWIXIFHSA-N 0 0 312.391 0.975 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)NCCCCO)C2=O)n(C)n1 ZINC000194473506 395798073 /nfs/dbraw/zinc/79/80/73/395798073.db2.gz ZAEBIQAFZFMPJC-GFCCVEGCSA-N 0 0 323.397 0.296 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000118070433 395857962 /nfs/dbraw/zinc/85/79/62/395857962.db2.gz FTDHJRKVVLIRLQ-GFCCVEGCSA-N 0 0 303.370 0.406 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCC1CCOCC1 ZINC000234577115 395888791 /nfs/dbraw/zinc/88/87/91/395888791.db2.gz GAGWGBWBTKLXCX-RYUDHWBXSA-N 0 0 305.396 0.674 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000234578001 395888975 /nfs/dbraw/zinc/88/89/75/395888975.db2.gz JQGQKRGGGSJWLT-USZNOCQGSA-N 0 0 305.396 0.409 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCc1nccs1 ZINC000234581833 395889484 /nfs/dbraw/zinc/88/94/84/395889484.db2.gz CVHFHMKNUPOTJR-UWVGGRQHSA-N 0 0 318.420 0.947 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000123301635 395893601 /nfs/dbraw/zinc/89/36/01/395893601.db2.gz GZXHEZSQFARYBK-AAEUAGOBSA-N 0 0 305.382 0.431 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC1CC1 ZINC000123707518 395897008 /nfs/dbraw/zinc/89/70/08/395897008.db2.gz PBVZYFHSRHEYME-SECBINFHSA-N 0 0 307.375 0.640 10 0 DCAERN CC(C)CCOCCNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000124757156 395901517 /nfs/dbraw/zinc/90/15/17/395901517.db2.gz XVQBISJBAKMBCD-GFCCVEGCSA-N 0 0 306.428 0.878 10 0 DCAERN CC(C)n1nccc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000125828072 395906340 /nfs/dbraw/zinc/90/63/40/395906340.db2.gz GOMQYEYDAUNFSL-GFCCVEGCSA-N 0 0 311.386 0.279 10 0 DCAERN NS(=O)(=O)CCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000125882022 395907324 /nfs/dbraw/zinc/90/73/24/395907324.db2.gz AUGIQBLRGBMOTI-UHFFFAOYSA-N 0 0 306.334 0.692 10 0 DCAERN O=C(N[C@]1(CO)CCOC1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000273376078 395916604 /nfs/dbraw/zinc/91/66/04/395916604.db2.gz GLNQKTMSUKJLAT-IGCXYCKISA-N 0 0 319.357 0.829 10 0 DCAERN O=C(NCCCn1ccnn1)[C@@H]1CCCN1c1nccs1 ZINC000130177172 395921763 /nfs/dbraw/zinc/92/17/63/395921763.db2.gz IJGGEFKAYREDOG-NSHDSACASA-N 0 0 306.395 0.910 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000118431660 395862148 /nfs/dbraw/zinc/86/21/48/395862148.db2.gz PRZONSHXSSJKJF-LBPRGKRZSA-N 0 0 315.395 0.840 10 0 DCAERN C[C@@H](O)CCNC(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000118720572 395863668 /nfs/dbraw/zinc/86/36/68/395863668.db2.gz NWBITUCEVRXXEV-CYBMUJFWSA-N 0 0 313.419 0.921 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000052537847 395864980 /nfs/dbraw/zinc/86/49/80/395864980.db2.gz ICSMVYZDKMRGTL-LBPRGKRZSA-N 0 0 324.402 0.370 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000118991883 395866201 /nfs/dbraw/zinc/86/62/01/395866201.db2.gz VGLSWIIBYDEZAN-CYBMUJFWSA-N 0 0 307.398 0.994 10 0 DCAERN Cc1cnc(CCN(C)C(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000119166128 395868242 /nfs/dbraw/zinc/86/82/42/395868242.db2.gz ORXPILCBTXPGDI-GFCCVEGCSA-N 0 0 312.439 0.966 10 0 DCAERN COC(=O)[C@@](C)(NC(=O)Cn1c2ccccc2[nH]c1=O)C1CC1 ZINC000119834703 395876529 /nfs/dbraw/zinc/87/65/29/395876529.db2.gz RWGKDMJLTDDIQJ-INIZCTEOSA-N 0 0 317.345 0.788 10 0 DCAERN CSC[C@](C)(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000121558953 395884812 /nfs/dbraw/zinc/88/48/12/395884812.db2.gz TTYOHEVLQOFLBZ-CQSZACIVSA-N 0 0 307.375 0.767 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245792229 395935897 /nfs/dbraw/zinc/93/58/97/395935897.db2.gz IWLITYYLQWLEFS-NWANDNLSSA-N 0 0 315.373 0.885 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCCN1CCc2ccccc21 ZINC000135008549 395936452 /nfs/dbraw/zinc/93/64/52/395936452.db2.gz SRROUMJLYXBGEJ-LBPRGKRZSA-N 0 0 316.361 0.154 10 0 DCAERN Cc1ccc(CC(=O)N2CCN(S(C)(=O)=O)CC2)s1 ZINC000057031075 395937539 /nfs/dbraw/zinc/93/75/39/395937539.db2.gz ZCMFDFATRBEQEB-UHFFFAOYSA-N 0 0 302.421 0.703 10 0 DCAERN CN1C[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135305049 395938571 /nfs/dbraw/zinc/93/85/71/395938571.db2.gz DZKUNYSQJYGLMF-VXGBXAGGSA-N 0 0 303.366 0.040 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000135249239 395939104 /nfs/dbraw/zinc/93/91/04/395939104.db2.gz RDGKVAAJXXNYCU-MWLCHTKSSA-N 0 0 316.379 0.746 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(-n2cccn2)n1)N1CCOCC1 ZINC000135373012 395939504 /nfs/dbraw/zinc/93/95/04/395939504.db2.gz HDJUERQYJBNLBS-ZDUSSCGKSA-N 0 0 315.377 0.718 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nn[nH]n1 ZINC000135467244 395940441 /nfs/dbraw/zinc/94/04/41/395940441.db2.gz ZBTSOSWOIOTNJA-GXSJLCMTSA-N 0 0 302.338 0.983 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCC(=O)N1CCc2ccccc21 ZINC000135562963 395941297 /nfs/dbraw/zinc/94/12/97/395941297.db2.gz GESUDJVIOIVXIV-BXUZGUMPSA-N 0 0 324.402 0.673 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000246103148 395941535 /nfs/dbraw/zinc/94/15/35/395941535.db2.gz LOUSCTJATXUTTA-XIRDDKMYSA-N 0 0 315.417 0.915 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000135747568 395941896 /nfs/dbraw/zinc/94/18/96/395941896.db2.gz YOSSBUYIOQQNGI-TVYUQYBPSA-N 0 0 303.355 0.956 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1N1CCOCC1 ZINC000246405965 395948762 /nfs/dbraw/zinc/94/87/62/395948762.db2.gz DRKKBNTUCUSAGX-GXTWGEPZSA-N 0 0 311.407 0.423 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)n(C)n1 ZINC000246619976 395954097 /nfs/dbraw/zinc/95/40/97/395954097.db2.gz YRQUDJGDJUTNIE-JSGCOSHPSA-N 0 0 321.425 0.320 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000274509533 395954549 /nfs/dbraw/zinc/95/45/49/395954549.db2.gz UGYGWKLHDPIEEH-SNVBAGLBSA-N 0 0 300.384 0.050 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H]1C ZINC000246911009 395960975 /nfs/dbraw/zinc/96/09/75/395960975.db2.gz AVIYMDYBMCAQON-KBPBESRZSA-N 0 0 320.455 0.395 10 0 DCAERN CCN(CC)c1ccc([C@H](O)[C@@H](O)C2OCC(=O)CO2)cc1 ZINC000145199757 395963625 /nfs/dbraw/zinc/96/36/25/395963625.db2.gz DMZLTUMHHSLANN-LSDHHAIUSA-N 0 0 309.362 0.869 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCN2CCCC[C@H]2C1 ZINC000247224418 395969762 /nfs/dbraw/zinc/96/97/62/395969762.db2.gz MLCDBQLEVQKBGI-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000247236797 395970009 /nfs/dbraw/zinc/97/00/09/395970009.db2.gz XHGUCYAIFWRYQR-OLZOCXBDSA-N 0 0 302.440 0.943 10 0 DCAERN O=C(Cn1nc2ccccn2c1=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247321008 395971716 /nfs/dbraw/zinc/97/17/16/395971716.db2.gz IQOSVINPAPFOOJ-YNEHKIRRSA-N 0 0 316.361 0.570 10 0 DCAERN Cc1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1C(N)=O ZINC000150837042 395973166 /nfs/dbraw/zinc/97/31/66/395973166.db2.gz KVZZYTBJKGXGKQ-GFCCVEGCSA-N 0 0 306.366 0.546 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCc1nc[nH]n1 ZINC000247489749 395975399 /nfs/dbraw/zinc/97/53/99/395975399.db2.gz LYUGJBXETNAJNW-NSHDSACASA-N 0 0 319.390 0.716 10 0 DCAERN CCS(=O)(=O)NCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000150915267 395975640 /nfs/dbraw/zinc/97/56/40/395975640.db2.gz JPFLSXWHWCORHO-GFCCVEGCSA-N 0 0 323.422 0.857 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cn1 ZINC000247973212 395980639 /nfs/dbraw/zinc/98/06/39/395980639.db2.gz FXUAAJIHJZBLDG-BFHYXJOUSA-N 0 0 321.377 0.881 10 0 DCAERN COc1ccnc(N2CCN(CC(=O)N(C)CC3CC3)CC2)n1 ZINC000064248483 395985164 /nfs/dbraw/zinc/98/51/64/395985164.db2.gz DJRCHDOOPOBQQM-UHFFFAOYSA-N 0 0 319.409 0.476 10 0 DCAERN C[C@@H](OCC1CC1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000064462894 395986956 /nfs/dbraw/zinc/98/69/56/395986956.db2.gz QHMFOKXXCQKEOJ-UKRRQHHQSA-N 0 0 324.421 0.899 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249073994 396001713 /nfs/dbraw/zinc/00/17/13/396001713.db2.gz LMAUSOPPAZKZBE-LSDHHAIUSA-N 0 0 320.499 0.978 10 0 DCAERN CCCCCN(CC(N)=O)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000248541835 395989713 /nfs/dbraw/zinc/98/97/13/395989713.db2.gz IIGFLRMZWAKVTC-GFCCVEGCSA-N 0 0 305.444 0.941 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000248675740 395993723 /nfs/dbraw/zinc/99/37/23/395993723.db2.gz CVNSPMRGZZRTKT-ZIAGYGMSSA-N 0 0 319.471 0.758 10 0 DCAERN Cc1cc(=O)[nH]c([C@@H](C)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000248790290 395997169 /nfs/dbraw/zinc/99/71/69/395997169.db2.gz XLLIXMNOSXNHQO-NXEZZACHSA-N 0 0 300.384 0.175 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2csc(Br)c2)C1 ZINC000276444581 395997781 /nfs/dbraw/zinc/99/77/81/395997781.db2.gz LXXPMGUKHAZFSE-SNVBAGLBSA-N 0 0 305.197 0.933 10 0 DCAERN CC(C)c1nnc2n1CCN(C[C@@H](O)COC[C@H]1CCCO1)C2 ZINC000253608984 396031120 /nfs/dbraw/zinc/03/11/20/396031120.db2.gz IEIKAOSGCSCBSS-ZIAGYGMSSA-N 0 0 324.425 0.774 10 0 DCAERN COc1cccc(CC(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154118881 396031372 /nfs/dbraw/zinc/03/13/72/396031372.db2.gz ANOMXPOUZQFDMD-AWEZNQCLSA-N 0 0 308.378 0.047 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)cn1 ZINC000154139071 396031944 /nfs/dbraw/zinc/03/19/44/396031944.db2.gz XWDXVEQEWSVANL-CYBMUJFWSA-N 0 0 315.377 0.518 10 0 DCAERN COc1ccccc1CC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154139421 396032180 /nfs/dbraw/zinc/03/21/80/396032180.db2.gz XLCWQCVLPUEPFV-AWEZNQCLSA-N 0 0 308.378 0.047 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000154611864 396039806 /nfs/dbraw/zinc/03/98/06/396039806.db2.gz IDPMDTIWLQOLBW-QWRGUYRKSA-N 0 0 305.382 0.750 10 0 DCAERN O=C(NC[C@@H]1CCCN(C(=O)C2CC(=O)C2)C1)C1CC(=O)C1 ZINC000155271260 396048552 /nfs/dbraw/zinc/04/85/52/396048552.db2.gz POJXVKOJTNUELQ-JTQLQIEISA-N 0 0 306.362 0.299 10 0 DCAERN CCC[C@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000155402929 396051105 /nfs/dbraw/zinc/05/11/05/396051105.db2.gz IIQLUDXHRSKSGZ-NWDGAFQWSA-N 0 0 300.399 0.944 10 0 DCAERN C[C@H](OCC1CC1)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000068288030 396052273 /nfs/dbraw/zinc/05/22/73/396052273.db2.gz QHMFOKXXCQKEOJ-ZFWWWQNUSA-N 0 0 324.421 0.899 10 0 DCAERN C[C@H](OCC1CC1)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000068288034 396052479 /nfs/dbraw/zinc/05/24/79/396052479.db2.gz QHMFOKXXCQKEOJ-DZGCQCFKSA-N 0 0 324.421 0.899 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1c[nH]cn1 ZINC000261743347 396061583 /nfs/dbraw/zinc/06/15/83/396061583.db2.gz PKABDFCBYLPGFQ-LBPRGKRZSA-N 0 0 322.390 0.754 10 0 DCAERN C[C@@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000068782033 396063726 /nfs/dbraw/zinc/06/37/26/396063726.db2.gz ZIDICVBXHNHVRL-LLVKDONJSA-N 0 0 303.366 0.779 10 0 DCAERN COc1cccc(CNC(=O)NC[C@@H](C)CN2CCOCC2)n1 ZINC000158208992 396064592 /nfs/dbraw/zinc/06/45/92/396064592.db2.gz NSRPXIMGIBIBFC-CYBMUJFWSA-N 0 0 322.409 0.858 10 0 DCAERN CC[C@@H](CCO)NS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000158892508 396065732 /nfs/dbraw/zinc/06/57/32/396065732.db2.gz MSLPEPLJXDPNKL-LBPRGKRZSA-N 0 0 315.391 0.841 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@@H]3CCOC3)CCO2)n1 ZINC000276489608 396002806 /nfs/dbraw/zinc/00/28/06/396002806.db2.gz AZTPUZPOFMIYBD-DGCLKSJQSA-N 0 0 306.366 0.479 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000152193801 396003154 /nfs/dbraw/zinc/00/31/54/396003154.db2.gz GRYYOBBIMWTAIR-HZMBPMFUSA-N 0 0 323.418 0.862 10 0 DCAERN C[C@H](C(=O)Nc1c(F)cccc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000249354845 396006357 /nfs/dbraw/zinc/00/63/57/396006357.db2.gz QVUVTYBVCYCGON-BBBLOLIVSA-N 0 0 300.305 0.719 10 0 DCAERN C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(C(N)=O)cn2C)C[C@H](C)O1 ZINC000152624725 396013018 /nfs/dbraw/zinc/01/30/18/396013018.db2.gz FTDLJBCCDKEOJM-TXEJJXNPSA-N 0 0 322.409 0.353 10 0 DCAERN COCCn1nc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)ccc1=O ZINC000163235463 396085778 /nfs/dbraw/zinc/08/57/78/396085778.db2.gz IAOLCILWNIKKQD-OCCSQVGLSA-N 0 0 321.377 0.531 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1 ZINC000167680082 396089781 /nfs/dbraw/zinc/08/97/81/396089781.db2.gz VEOJQOIIWBQOKY-GFCCVEGCSA-N 0 0 313.375 0.405 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1CCN(c2cccnn2)CC1 ZINC000170881720 396100442 /nfs/dbraw/zinc/10/04/42/396100442.db2.gz ASOLTFQREIUGIU-UHFFFAOYSA-N 0 0 300.366 0.708 10 0 DCAERN COC(C)(C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000170970031 396102463 /nfs/dbraw/zinc/10/24/63/396102463.db2.gz ZXQTVUHQSAIECH-UHFFFAOYSA-N 0 0 314.407 0.978 10 0 DCAERN COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000171058076 396105598 /nfs/dbraw/zinc/10/55/98/396105598.db2.gz NQPYFSNZBKFBJP-MFKMUULPSA-N 0 0 312.391 0.750 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)NCCc1nc(C)no1 ZINC000171224776 396111584 /nfs/dbraw/zinc/11/15/84/396111584.db2.gz TUKRSGJGBYFPMR-LBPRGKRZSA-N 0 0 320.349 0.962 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000171286969 396113029 /nfs/dbraw/zinc/11/30/29/396113029.db2.gz HXSXFMHXHVOCTN-NSHDSACASA-N 0 0 317.345 0.695 10 0 DCAERN CN[C@@H](C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)c1cnn(C)c1 ZINC000262233008 396113404 /nfs/dbraw/zinc/11/34/04/396113404.db2.gz QPSPYNLEYRQQGK-CQSZACIVSA-N 0 0 321.425 0.538 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cccc(CO)c2)C[C@H](C)O1 ZINC000071354318 396113788 /nfs/dbraw/zinc/11/37/88/396113788.db2.gz DLNNBZDWMFXKLP-TXEJJXNPSA-N 0 0 314.407 0.623 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000175793153 396142777 /nfs/dbraw/zinc/14/27/77/396142777.db2.gz RVKUOZQGSFMWOA-GFCCVEGCSA-N 0 0 303.370 0.926 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCC[C@H](O)C3)C2)n(C)n1 ZINC000278368746 396120949 /nfs/dbraw/zinc/12/09/49/396120949.db2.gz KJEFJDUHJVGEFT-KBPBESRZSA-N 0 0 321.425 0.864 10 0 DCAERN CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171638176 396121392 /nfs/dbraw/zinc/12/13/92/396121392.db2.gz OFNRYTWWNSORLQ-IUODEOHRSA-N 0 0 307.398 0.906 10 0 DCAERN NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000171744837 396124165 /nfs/dbraw/zinc/12/41/65/396124165.db2.gz DMMVTRDXMARXQS-NWDGAFQWSA-N 0 0 323.343 0.698 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)n(C)n1 ZINC000278454826 396125969 /nfs/dbraw/zinc/12/59/69/396125969.db2.gz RGCXDBBZTTUFCL-ZIAGYGMSSA-N 0 0 321.425 0.144 10 0 DCAERN Cc1noc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)n1 ZINC000071952779 396126253 /nfs/dbraw/zinc/12/62/53/396126253.db2.gz QLLJLYDYEHCKGG-UHFFFAOYSA-N 0 0 309.761 0.726 10 0 DCAERN CN(C)C(=O)C1CCN([C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000171912824 396127340 /nfs/dbraw/zinc/12/73/40/396127340.db2.gz AHUCLJONUZJAMG-AWEZNQCLSA-N 0 0 319.409 0.326 10 0 DCAERN Cn1ccc(NC(=O)C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000172502321 396132225 /nfs/dbraw/zinc/13/22/25/396132225.db2.gz JFCNXFJNKIACMX-NSHDSACASA-N 0 0 300.318 0.999 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172764702 396133147 /nfs/dbraw/zinc/13/31/47/396133147.db2.gz KGKNPHFWHKBQHN-AWEZNQCLSA-N 0 0 311.426 0.472 10 0 DCAERN CSc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccn1 ZINC000173085670 396134337 /nfs/dbraw/zinc/13/43/37/396134337.db2.gz DJZSMBRNPIVBNF-UHFFFAOYSA-N 0 0 306.347 0.453 10 0 DCAERN O=S(=O)(CC1CCOCC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000173195808 396134667 /nfs/dbraw/zinc/13/46/67/396134667.db2.gz ZCONDQFJPJGOOS-PBWFPOADSA-N 0 0 303.424 0.836 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)CCC(C)C)CCO2)[nH]1 ZINC000173518935 396135705 /nfs/dbraw/zinc/13/57/05/396135705.db2.gz CVABQEGJXJTLBR-LBPRGKRZSA-N 0 0 323.397 0.565 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000278637097 396136247 /nfs/dbraw/zinc/13/62/47/396136247.db2.gz YLSMJXMZHSAHJG-BXUZGUMPSA-N 0 0 310.423 0.373 10 0 DCAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCNC1=O ZINC000069333483 396075459 /nfs/dbraw/zinc/07/54/59/396075459.db2.gz DXBPMSJXHUHFKP-ZYHUDNBSSA-N 0 0 319.386 0.884 10 0 DCAERN O=C(NCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000161957056 396078440 /nfs/dbraw/zinc/07/84/40/396078440.db2.gz VROLBSPBOLCOHD-BBRMVZONSA-N 0 0 309.410 0.849 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)C1 ZINC000162117716 396079143 /nfs/dbraw/zinc/07/91/43/396079143.db2.gz PCPKMRSIFKRTFN-NEPJUHHUSA-N 0 0 321.381 0.272 10 0 DCAERN CCC(CC)(NC(=O)Cn1cnc2ccccc2c1=O)C(N)=O ZINC000162869963 396084256 /nfs/dbraw/zinc/08/42/56/396084256.db2.gz DLLVQNQCHUNWIG-UHFFFAOYSA-N 0 0 316.361 0.557 10 0 DCAERN CN1C[C@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CCC1=O ZINC000162900469 396084940 /nfs/dbraw/zinc/08/49/40/396084940.db2.gz UEOAHIOJTVBNJF-VXGBXAGGSA-N 0 0 305.382 0.920 10 0 DCAERN COC(=O)C[C@@H]1CCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000178805975 396209790 /nfs/dbraw/zinc/20/97/90/396209790.db2.gz LFRMQEVCJKRAJI-NSHDSACASA-N 0 0 317.345 0.884 10 0 DCAERN Cc1nc(CN2CCN(S(N)(=O)=O)CC2)nc2ccccc12 ZINC000073893762 396153458 /nfs/dbraw/zinc/15/34/58/396153458.db2.gz HDZPOASEJQQFMY-UHFFFAOYSA-N 0 0 321.406 0.259 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000073932913 396153600 /nfs/dbraw/zinc/15/36/00/396153600.db2.gz OPDHZOLORQCAHB-VXGBXAGGSA-N 0 0 306.428 0.325 10 0 DCAERN CN(C)C(=O)COc1ccc(NC(=O)[C@@H]2COCCN2)cc1 ZINC000262604424 396160388 /nfs/dbraw/zinc/16/03/88/396160388.db2.gz FJGHPUZKEUHSDJ-ZDUSSCGKSA-N 0 0 307.350 0.081 10 0 DCAERN Cn1ncnc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000177129540 396167498 /nfs/dbraw/zinc/16/74/98/396167498.db2.gz FTUDXMSMHWBDLY-HNNXBMFYSA-N 0 0 301.394 0.666 10 0 DCAERN CCc1n[nH]c(C(=O)N2CCO[C@@H](CO)C2)c1Br ZINC000279366740 396169249 /nfs/dbraw/zinc/16/92/49/396169249.db2.gz FDVFYYSECROMTN-SSDOTTSWSA-N 0 0 318.171 0.568 10 0 DCAERN O=C([C@@H]1CSCCS1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177280365 396171427 /nfs/dbraw/zinc/17/14/27/396171427.db2.gz PCXLJYHXWDCLDL-NEPJUHHUSA-N 0 0 313.448 0.959 10 0 DCAERN O=C(CSC[C@@H](O)CO)NCCN1CCc2ccccc21 ZINC000177426871 396175325 /nfs/dbraw/zinc/17/53/25/396175325.db2.gz QEBCWPBVZYWLCU-ZDUSSCGKSA-N 0 0 310.419 0.252 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000262728974 396176624 /nfs/dbraw/zinc/17/66/24/396176624.db2.gz BGPXWEUFQVKBDE-QWRGUYRKSA-N 0 0 303.353 0.748 10 0 DCAERN O=C(NCCNC(=O)[C@H]1CC(F)(F)CN1)c1ccccc1F ZINC000262733996 396177189 /nfs/dbraw/zinc/17/71/89/396177189.db2.gz BXDHGNQJTATIHJ-LLVKDONJSA-N 0 0 315.295 0.669 10 0 DCAERN O=S(=O)(Cc1coc(-c2cccs2)n1)C[C@H](O)CO ZINC000177674030 396181408 /nfs/dbraw/zinc/18/14/08/396181408.db2.gz OCXABAAWVGUMKX-SECBINFHSA-N 0 0 303.361 0.671 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)CO)cn1 ZINC000177789062 396183828 /nfs/dbraw/zinc/18/38/28/396183828.db2.gz HCZOUXZOZJCNGL-VXGBXAGGSA-N 0 0 322.409 0.999 10 0 DCAERN COc1cccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1O ZINC000177829520 396184726 /nfs/dbraw/zinc/18/47/26/396184726.db2.gz PBODRHDUHPPWPD-UHFFFAOYSA-N 0 0 315.329 0.693 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000177947397 396186572 /nfs/dbraw/zinc/18/65/72/396186572.db2.gz YTXCZKJIXZRIRD-SNVBAGLBSA-N 0 0 318.420 0.876 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000075941289 396190166 /nfs/dbraw/zinc/19/01/66/396190166.db2.gz VZJPVSBYGBNOSH-JTQLQIEISA-N 0 0 322.390 0.867 10 0 DCAERN C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 ZINC000076015708 396191930 /nfs/dbraw/zinc/19/19/30/396191930.db2.gz KTSWNTUEWBGFEV-GXFFZTMASA-N 0 0 302.330 0.966 10 0 DCAERN C[C@]1(CNC(=O)CNC(=O)c2ccccn2)CCCC[C@H]1O ZINC000178311942 396194201 /nfs/dbraw/zinc/19/42/01/396194201.db2.gz BPUHDTYHVDSNBY-CZUORRHYSA-N 0 0 305.378 0.869 10 0 DCAERN CO[C@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000076245149 396199691 /nfs/dbraw/zinc/19/96/91/396199691.db2.gz ZJBIMOLGFZMLLY-LBPRGKRZSA-N 0 0 303.366 0.921 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263082936 396200434 /nfs/dbraw/zinc/20/04/34/396200434.db2.gz XSFXUGUVZBCJJV-NSHDSACASA-N 0 0 303.353 0.748 10 0 DCAERN NC(=O)c1cccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000077990835 396237843 /nfs/dbraw/zinc/23/78/43/396237843.db2.gz HMIPZMMHXHGRFA-LBPRGKRZSA-N 0 0 302.252 0.925 10 0 DCAERN CC[C@H](CSC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000181234291 396238074 /nfs/dbraw/zinc/23/80/74/396238074.db2.gz RTJLMWLKGONJBT-SNVBAGLBSA-N 0 0 321.402 0.948 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000181776089 396242366 /nfs/dbraw/zinc/24/23/66/396242366.db2.gz YXWVMRWHXGUJTM-UHFFFAOYSA-N 0 0 315.333 0.358 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181758764 396242392 /nfs/dbraw/zinc/24/23/92/396242392.db2.gz IQQVDBYBZYKMJK-SNVBAGLBSA-N 0 0 318.361 0.656 10 0 DCAERN Cn1cc([C@H](O)CNC2=NS(=O)(=O)c3ccccc32)cn1 ZINC000078374462 396243519 /nfs/dbraw/zinc/24/35/19/396243519.db2.gz DTIFIBHWTVIGEX-LLVKDONJSA-N 0 0 306.347 0.192 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCC(=O)N(C)C ZINC000182157183 396248015 /nfs/dbraw/zinc/24/80/15/396248015.db2.gz BTNBPFJTZISWCD-UHFFFAOYSA-N 0 0 305.338 0.185 10 0 DCAERN CC[C@@H]1CN(C(=O)NCCCn2ccnn2)CC[N@@H+]1CCOC ZINC000182477475 396250421 /nfs/dbraw/zinc/25/04/21/396250421.db2.gz OMSFPRPJLMDJGU-CQSZACIVSA-N 0 0 324.429 0.420 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)NCc1nccn1CC(C)C ZINC000182415859 396250718 /nfs/dbraw/zinc/25/07/18/396250718.db2.gz RRRODJGIFWLAJT-NSHDSACASA-N 0 0 317.411 0.768 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1nncn1-c1ccccc1 ZINC000182592268 396251729 /nfs/dbraw/zinc/25/17/29/396251729.db2.gz OCMKLXQIEJRGGQ-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN O=C(Cn1cnc2ccccc2c1=O)NCCCn1ccnn1 ZINC000183009807 396259154 /nfs/dbraw/zinc/25/91/54/396259154.db2.gz GUDNNIVTAZFDQF-UHFFFAOYSA-N 0 0 312.333 0.195 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)CC(=O)N1C ZINC000282083894 396261897 /nfs/dbraw/zinc/26/18/97/396261897.db2.gz IAHYGFWYHZWIGZ-LLVKDONJSA-N 0 0 305.382 0.592 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000264299964 396268905 /nfs/dbraw/zinc/26/89/05/396268905.db2.gz IYXHJSMIGYUMOO-DGCLKSJQSA-N 0 0 307.398 0.427 10 0 DCAERN C[C@H](CNC(=O)CN1C(=O)NC(C)(C)C1=O)c1nccs1 ZINC000183554911 396270763 /nfs/dbraw/zinc/27/07/63/396270763.db2.gz DIIGHZDBMYAOHK-MRVPVSSYSA-N 0 0 310.379 0.693 10 0 DCAERN CCOC(=O)C1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000183544688 396271084 /nfs/dbraw/zinc/27/10/84/396271084.db2.gz UHRUAEFTKSAFLO-UHFFFAOYSA-N 0 0 309.370 0.653 10 0 DCAERN O=C(CNC(=O)N1CCc2ccccc2[C@@H]1CO)NCC1CC1 ZINC000183789355 396275580 /nfs/dbraw/zinc/27/55/80/396275580.db2.gz HQWXABVKLUWKHV-HNNXBMFYSA-N 0 0 317.389 0.814 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183838954 396275773 /nfs/dbraw/zinc/27/57/73/396275773.db2.gz UUTFQFALTSIJIB-GFCCVEGCSA-N 0 0 305.382 0.438 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184065866 396283423 /nfs/dbraw/zinc/28/34/23/396283423.db2.gz SPNKIKNZHCQVDQ-GFCCVEGCSA-N 0 0 321.381 0.055 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000080421708 396280243 /nfs/dbraw/zinc/28/02/43/396280243.db2.gz BPQILQYFIVFDAK-WDEREUQCSA-N 0 0 307.350 0.525 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCNC(=O)C3CC3)no2)c1 ZINC000179193929 396223787 /nfs/dbraw/zinc/22/37/87/396223787.db2.gz JCZDYHMGAKRLSG-UHFFFAOYSA-N 0 0 317.349 0.484 10 0 DCAERN C[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000179309002 396225920 /nfs/dbraw/zinc/22/59/20/396225920.db2.gz UUDDWXZUUDLWCD-JQWIXIFHSA-N 0 0 312.391 0.607 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000179494324 396227372 /nfs/dbraw/zinc/22/73/72/396227372.db2.gz DBQDHQXRTJAPFV-AWEZNQCLSA-N 0 0 303.362 0.835 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)NCC(=O)N1CCCCC1 ZINC000179555322 396227479 /nfs/dbraw/zinc/22/74/79/396227479.db2.gz DDCMYOHSYCQHPK-UHFFFAOYSA-N 0 0 322.365 0.613 10 0 DCAERN O=C(C[C@@H](O)c1ccccc1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000179766584 396229126 /nfs/dbraw/zinc/22/91/26/396229126.db2.gz UQYHHCJOXNWZLB-CHWSQXEVSA-N 0 0 302.330 0.516 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000082980226 396311515 /nfs/dbraw/zinc/31/15/15/396311515.db2.gz WKGKKRIHTKQAKE-MNOVXSKESA-N 0 0 306.370 0.328 10 0 DCAERN CN(Cc1cc(-c2cnn(C)c2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000184975961 396312343 /nfs/dbraw/zinc/31/23/43/396312343.db2.gz CSZPEUXYDPDEBB-LLVKDONJSA-N 0 0 310.379 0.694 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NCCCn2ccnn2)c1 ZINC000185066096 396315972 /nfs/dbraw/zinc/31/59/72/396315972.db2.gz BCTCTTKVYLOMRV-UHFFFAOYSA-N 0 0 317.349 0.223 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCCCn2ccnn2)cc1 ZINC000185067132 396316083 /nfs/dbraw/zinc/31/60/83/396316083.db2.gz AELWFUZXJWIQAA-UHFFFAOYSA-N 0 0 323.378 0.006 10 0 DCAERN C[C@H](NCC(=O)NC(N)=O)c1nc(-c2cccc(F)c2)no1 ZINC000185086046 396316864 /nfs/dbraw/zinc/31/68/64/396316864.db2.gz STFBDQIFNOMHPB-ZETCQYMHSA-N 0 0 307.285 0.721 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000185091270 396317854 /nfs/dbraw/zinc/31/78/54/396317854.db2.gz VAKIYBDRBRVCKZ-OAHLLOKOSA-N 0 0 322.405 0.490 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCC[C@H](C(F)(F)F)C1 ZINC000185154990 396319382 /nfs/dbraw/zinc/31/93/82/396319382.db2.gz OYORXNFZTXQUDM-HBNTYKKESA-N 0 0 310.316 0.215 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCn2cnnc2C1 ZINC000264497524 396285123 /nfs/dbraw/zinc/28/51/23/396285123.db2.gz XKIUHVRDAFEBTI-WDEREUQCSA-N 0 0 323.422 0.568 10 0 DCAERN C[C@@H](C(=O)N1CC(CO)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000184227685 396288612 /nfs/dbraw/zinc/28/86/12/396288612.db2.gz OYNLPTFWIOINQF-ZDUSSCGKSA-N 0 0 321.396 0.787 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)Nc1ccn(CCOC)n1 ZINC000184357452 396292205 /nfs/dbraw/zinc/29/22/05/396292205.db2.gz YPZRCNUOCQEAMX-CYBMUJFWSA-N 0 0 310.398 0.969 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000184398115 396294272 /nfs/dbraw/zinc/29/42/72/396294272.db2.gz IOPHXQWVWWVQAD-MNOVXSKESA-N 0 0 308.334 0.952 10 0 DCAERN CC(C)[C@H](NC(=O)N[C@@H]1CCCN(c2ncccn2)C1)C(N)=O ZINC000184473237 396296775 /nfs/dbraw/zinc/29/67/75/396296775.db2.gz UKUFAPOCSVEMIK-NEPJUHHUSA-N 0 0 320.397 0.255 10 0 DCAERN COc1cccc2c1nc(NC(=O)[C@H]1CC(=O)N(C)C1)n2C ZINC000184479509 396296793 /nfs/dbraw/zinc/29/67/93/396296793.db2.gz MHLBDJLDIFGCOL-VIFPVBQESA-N 0 0 302.334 0.999 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N2CCO[C@]3(CCOC3)C2)[nH]n1 ZINC000184486535 396296950 /nfs/dbraw/zinc/29/69/50/396296950.db2.gz CISIHZSYFWOTNR-IAQYHMDHSA-N 0 0 308.382 0.850 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184659595 396301368 /nfs/dbraw/zinc/30/13/68/396301368.db2.gz SJUMGQKTFYJICH-UHFFFAOYSA-N 0 0 308.403 1.000 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000185171471 396320391 /nfs/dbraw/zinc/32/03/91/396320391.db2.gz ZSYUEQJOSMHCFZ-MNOVXSKESA-N 0 0 316.361 0.863 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1CCC(=O)NC(N)=O ZINC000184740636 396305133 /nfs/dbraw/zinc/30/51/33/396305133.db2.gz OBMMJOSCGMAVKY-ZDUSSCGKSA-N 0 0 322.340 0.192 10 0 DCAERN CCCOc1ccc(CNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185176460 396320546 /nfs/dbraw/zinc/32/05/46/396320546.db2.gz YYCASMQWQCPWDZ-CABCVRRESA-N 0 0 322.405 0.519 10 0 DCAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC(CO)C1 ZINC000184902339 396310282 /nfs/dbraw/zinc/31/02/82/396310282.db2.gz RGFLHYQNIRTHFF-UHFFFAOYSA-N 0 0 301.755 0.601 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccnc(C)n2)CC1 ZINC000184922363 396311007 /nfs/dbraw/zinc/31/10/07/396311007.db2.gz JYDMYEHJTLAJFV-CQSZACIVSA-N 0 0 307.398 0.383 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(C)n2)CC1 ZINC000184910549 396311058 /nfs/dbraw/zinc/31/10/58/396311058.db2.gz CPCPPXQYMQDJJS-HNNXBMFYSA-N 0 0 306.410 0.988 10 0 DCAERN CNC(=O)NC(=O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185452602 396328002 /nfs/dbraw/zinc/32/80/02/396328002.db2.gz QSVWLUHMUUOVJM-SNVBAGLBSA-N 0 0 302.338 0.374 10 0 DCAERN Cn1cc(N2CCC[C@H](N3CCO[C@]4(CCOC4)C3)C2=O)cn1 ZINC000185205127 396321663 /nfs/dbraw/zinc/32/16/63/396321663.db2.gz AMPVYVSVUPLMOP-GOEBONIOSA-N 0 0 320.393 0.407 10 0 DCAERN Cc1nc(CN2CCN(Cc3nc(N(C)C)no3)CC2)no1 ZINC000185275026 396323643 /nfs/dbraw/zinc/32/36/43/396323643.db2.gz IUUJNTXTTKJOIM-UHFFFAOYSA-N 0 0 307.358 0.145 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)N(C)[C@@H](CO)CC(C)C)CC2 ZINC000185346333 396325462 /nfs/dbraw/zinc/32/54/62/396325462.db2.gz AYTWJYHPAIWYJJ-QWHCGFSZSA-N 0 0 309.414 0.950 10 0 DCAERN C[C@@H](O)CCNC(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000185901198 396336744 /nfs/dbraw/zinc/33/67/44/396336744.db2.gz OFFPWFPDUJMENT-LLVKDONJSA-N 0 0 319.365 0.954 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1 ZINC000185945177 396337594 /nfs/dbraw/zinc/33/75/94/396337594.db2.gz DUUMIKBVZMERJZ-UHFFFAOYSA-N 0 0 319.390 0.570 10 0 DCAERN CN(CC(=O)N1CCO[C@]2(CCOC2)C1)C(=O)c1cccs1 ZINC000186003356 396339499 /nfs/dbraw/zinc/33/94/99/396339499.db2.gz DMMIZBOVGLACDK-OAHLLOKOSA-N 0 0 324.402 0.838 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186058420 396339755 /nfs/dbraw/zinc/33/97/55/396339755.db2.gz LIUIFTOQGFIYAZ-INIZCTEOSA-N 0 0 310.394 0.797 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186047719 396340091 /nfs/dbraw/zinc/34/00/91/396340091.db2.gz GCJWWSXUHHIHQV-NHYWBVRUSA-N 0 0 308.334 0.416 10 0 DCAERN O=S(=O)(NC[C@]1(O)CCOC1)c1c(F)cccc1Cl ZINC000185875484 396336030 /nfs/dbraw/zinc/33/60/30/396336030.db2.gz JMKOJMRZVSIPNE-LLVKDONJSA-N 0 0 309.746 0.909 10 0 DCAERN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)CO2 ZINC000186196116 396344303 /nfs/dbraw/zinc/34/43/03/396344303.db2.gz WGAYSYJHSYQZGB-NWDGAFQWSA-N 0 0 302.330 0.701 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000186201465 396344580 /nfs/dbraw/zinc/34/45/80/396344580.db2.gz YROKCMPMZOSBMU-UHFFFAOYSA-N 0 0 321.425 0.863 10 0 DCAERN CCCN(CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCOCC1 ZINC000186310616 396347415 /nfs/dbraw/zinc/34/74/15/396347415.db2.gz PUXFKLHFJGRTAG-AWEZNQCLSA-N 0 0 316.442 0.733 10 0 DCAERN CCc1c(C(=O)N2CC(NC(=O)COC)C2)[nH]c(C)c1C(C)=O ZINC000186316888 396347652 /nfs/dbraw/zinc/34/76/52/396347652.db2.gz VGRNVYUFPNENQR-UHFFFAOYSA-N 0 0 321.377 0.675 10 0 DCAERN NC(=O)[C@]1(O)CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000284884307 396347835 /nfs/dbraw/zinc/34/78/35/396347835.db2.gz ZNWZLPPVRAIKPL-LBPRGKRZSA-N 0 0 318.782 0.341 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccon1 ZINC000186140437 396342605 /nfs/dbraw/zinc/34/26/05/396342605.db2.gz IYIHJDVKFLSORV-NSHDSACASA-N 0 0 303.322 0.809 10 0 DCAERN COc1cc(C)cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1O ZINC000265777575 396342988 /nfs/dbraw/zinc/34/29/88/396342988.db2.gz IIMLXUILCABERZ-SNVBAGLBSA-N 0 0 313.375 0.968 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC(Cn3cncn3)CC2)C1 ZINC000186566359 396352871 /nfs/dbraw/zinc/35/28/71/396352871.db2.gz OUIRQIJBQCHZAB-AWEZNQCLSA-N 0 0 322.413 0.030 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000187800709 396374269 /nfs/dbraw/zinc/37/42/69/396374269.db2.gz GFXHEZDSAOVLFI-LBPRGKRZSA-N 0 0 306.366 0.764 10 0 DCAERN CCN(CCS(C)(=O)=O)Cc1ccc(C(=O)OC)cn1 ZINC000285799769 396354403 /nfs/dbraw/zinc/35/44/03/396354403.db2.gz YNBHLYLFFVAONM-UHFFFAOYSA-N 0 0 300.380 0.735 10 0 DCAERN COc1ccc(F)cc1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000186722159 396356018 /nfs/dbraw/zinc/35/60/18/396356018.db2.gz HSHGWIOMPNAMSO-UHFFFAOYSA-N 0 0 321.308 0.413 10 0 DCAERN O=C(NC1CN(C(=O)NCc2ccc(CO)c(F)c2)C1)C1CC1 ZINC000186708647 396356080 /nfs/dbraw/zinc/35/60/80/396356080.db2.gz KOWQWBIGEFOBEI-UHFFFAOYSA-N 0 0 321.352 0.738 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000186743458 396356717 /nfs/dbraw/zinc/35/67/17/396356717.db2.gz MEVBYVDRUUOSLM-UHFFFAOYSA-N 0 0 318.333 0.669 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000187033201 396362162 /nfs/dbraw/zinc/36/21/62/396362162.db2.gz LUBMUTLELRMMBL-UHFFFAOYSA-N 0 0 323.368 0.969 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCN2CCCC[C@H]2C1 ZINC000187200831 396365285 /nfs/dbraw/zinc/36/52/85/396365285.db2.gz ABTPQBUVQWIZJV-NSHDSACASA-N 0 0 313.361 0.628 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)CCN1CCO ZINC000187268412 396365800 /nfs/dbraw/zinc/36/58/00/396365800.db2.gz MRVTVCYKQYPLRX-GFCCVEGCSA-N 0 0 315.377 0.610 10 0 DCAERN CNC(=O)CC(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000187698438 396372678 /nfs/dbraw/zinc/37/26/78/396372678.db2.gz NIEBEQPCHPFNOA-UHFFFAOYSA-N 0 0 309.332 0.903 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187712503 396372759 /nfs/dbraw/zinc/37/27/59/396372759.db2.gz PRCLYEAVCQXZFL-UHFFFAOYSA-N 0 0 310.398 0.069 10 0 DCAERN CO[C@@H]1CN(C(=O)Cn2nc3ccccn3c2=O)CC[C@H]1C ZINC000187715622 396373010 /nfs/dbraw/zinc/37/30/10/396373010.db2.gz LZRXLGHUWUBDNN-VXGBXAGGSA-N 0 0 304.350 0.379 10 0 DCAERN C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)CCC1=O ZINC000186545892 396351816 /nfs/dbraw/zinc/35/18/16/396351816.db2.gz CZJCREWSEUDLKP-LLVKDONJSA-N 0 0 304.346 0.992 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000188654527 396384227 /nfs/dbraw/zinc/38/42/27/396384227.db2.gz XZGWYOBHAVBIJY-AWEZNQCLSA-N 0 0 316.361 0.172 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)C1 ZINC000188684663 396384924 /nfs/dbraw/zinc/38/49/24/396384924.db2.gz VBFNGKRNVKTENM-SNVBAGLBSA-N 0 0 305.382 0.783 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)CCN1CCO ZINC000188693711 396385112 /nfs/dbraw/zinc/38/51/12/396385112.db2.gz JDNRUWUPDVQUHY-NHYWBVRUSA-N 0 0 308.353 0.654 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000188849116 396387185 /nfs/dbraw/zinc/38/71/85/396387185.db2.gz GKJXEJXENBSNJF-LLVKDONJSA-N 0 0 324.402 0.582 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188885522 396388063 /nfs/dbraw/zinc/38/80/63/396388063.db2.gz PDLQQALYJRWUCJ-MFKMUULPSA-N 0 0 306.410 0.953 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCO[C@H](CO)C1 ZINC000269135211 396388556 /nfs/dbraw/zinc/38/85/56/396388556.db2.gz CXDNKTHDPLVYDO-LBPRGKRZSA-N 0 0 304.350 0.488 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000188898594 396388735 /nfs/dbraw/zinc/38/87/35/396388735.db2.gz MRGZFORXVIZASO-LBPRGKRZSA-N 0 0 322.409 0.307 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCO[C@@H](CO)C1 ZINC000269132678 396388775 /nfs/dbraw/zinc/38/87/75/396388775.db2.gz BVJOCDLBFCKVSR-LLVKDONJSA-N 0 0 322.386 0.954 10 0 DCAERN Cc1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)no1 ZINC000188935825 396388816 /nfs/dbraw/zinc/38/88/16/396388816.db2.gz LJWQTIBUVNAYNX-JTQLQIEISA-N 0 0 311.386 0.365 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NCCCNS(C)(=O)=O ZINC000189019825 396389730 /nfs/dbraw/zinc/38/97/30/396389730.db2.gz BWTBKBJGQOLNLP-UHFFFAOYSA-N 0 0 320.440 0.505 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000189137458 396391183 /nfs/dbraw/zinc/39/11/83/396391183.db2.gz ZGQYXUOVJUIVFX-PSOPSSQASA-N 0 0 324.352 0.691 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccc(C)c(O)c2)CC1=O ZINC000189305741 396393266 /nfs/dbraw/zinc/39/32/66/396393266.db2.gz QDLYNVXLHYJXDJ-UHFFFAOYSA-N 0 0 320.389 0.950 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1=O ZINC000189308061 396393346 /nfs/dbraw/zinc/39/33/46/396393346.db2.gz ZTQGWEMKZJTCMP-HNNXBMFYSA-N 0 0 306.362 0.427 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1=O ZINC000189314242 396393456 /nfs/dbraw/zinc/39/34/56/396393456.db2.gz GCZQQRGUJYWVEY-UHFFFAOYSA-N 0 0 317.349 0.279 10 0 DCAERN CCOC(=O)NCCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189742600 396398119 /nfs/dbraw/zinc/39/81/19/396398119.db2.gz QHIOCYWQFKLUKZ-UHFFFAOYSA-N 0 0 309.370 0.503 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1=O ZINC000189758894 396398389 /nfs/dbraw/zinc/39/83/89/396398389.db2.gz SUJHIAPLZDUXKH-VIFPVBQESA-N 0 0 321.299 0.088 10 0 DCAERN Cc1cc(N2CCN(C(=O)CSc3n[nH]c(C)n3)CC2)n[nH]1 ZINC000189772780 396398797 /nfs/dbraw/zinc/39/87/97/396398797.db2.gz AHJFHPAAHPUSME-UHFFFAOYSA-N 0 0 321.410 0.586 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)CNC(=O)c1ccccn1 ZINC000189762842 396399096 /nfs/dbraw/zinc/39/90/96/396399096.db2.gz FKMKTGOLDCNZRT-SNVBAGLBSA-N 0 0 319.283 0.583 10 0 DCAERN COC(=O)N[C@H](C(=O)N1CCN(c2cc(C)[nH]n2)CC1)C(C)C ZINC000189784169 396399790 /nfs/dbraw/zinc/39/97/90/396399790.db2.gz JULUCSAYLTXBBX-ZDUSSCGKSA-N 0 0 323.397 0.747 10 0 DCAERN CCc1nc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000190670305 396409771 /nfs/dbraw/zinc/40/97/71/396409771.db2.gz OZCKLZOWCFQTCM-CYBMUJFWSA-N 0 0 321.425 0.842 10 0 DCAERN CCc1cc(=O)[nH]c(CN2CCCN(CCOC)C(=O)C2)n1 ZINC000190761123 396410968 /nfs/dbraw/zinc/41/09/68/396410968.db2.gz OYYPYMRNNSQQOE-UHFFFAOYSA-N 0 0 308.382 0.425 10 0 DCAERN O=C(NC[C@H]1CN2CCN1CC2)[C@@H]1CCCc2c(O)cccc21 ZINC000190800019 396411838 /nfs/dbraw/zinc/41/18/38/396411838.db2.gz VZWOAYPPFFDCMB-XJKSGUPXSA-N 0 0 315.417 0.928 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1=O ZINC000191043245 396414197 /nfs/dbraw/zinc/41/41/97/396414197.db2.gz IOHBUQSPRUGNNE-UHFFFAOYSA-N 0 0 311.288 0.594 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CCOC2(CCC2)C1 ZINC000287665001 396415072 /nfs/dbraw/zinc/41/50/72/396415072.db2.gz HICRTAGLJWODBS-LLVKDONJSA-N 0 0 319.365 0.011 10 0 DCAERN CN1CCCN(CC(=O)NCCOc2ccccc2)CC1=O ZINC000191159668 396416637 /nfs/dbraw/zinc/41/66/37/396416637.db2.gz BFHNJAJQEWVDES-UHFFFAOYSA-N 0 0 305.378 0.346 10 0 DCAERN COCCN1CCCN(C(=O)COCc2ccccc2)CC1=O ZINC000191276010 396418097 /nfs/dbraw/zinc/41/80/97/396418097.db2.gz YMCMRWJCIFRABB-UHFFFAOYSA-N 0 0 320.389 0.911 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000193162404 396445178 /nfs/dbraw/zinc/44/51/78/396445178.db2.gz QBMBWYLRCIXERH-VIFPVBQESA-N 0 0 310.379 0.435 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)NCCCn2ccnn2)C[C@@H]1C ZINC000191415638 396418933 /nfs/dbraw/zinc/41/89/33/396418933.db2.gz HWBPXOQXEOIYCO-RYUDHWBXSA-N 0 0 309.370 0.509 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cccc3ccn(C)c32)CC1=O ZINC000191514339 396420262 /nfs/dbraw/zinc/42/02/62/396420262.db2.gz QMLUTSSTBVRHJG-UHFFFAOYSA-N 0 0 314.345 0.765 10 0 DCAERN CC(=O)NC1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C1 ZINC000191498368 396420851 /nfs/dbraw/zinc/42/08/51/396420851.db2.gz FHUBLJFYJSBYEC-UHFFFAOYSA-N 0 0 316.405 0.953 10 0 DCAERN CCN1CN(CC(=O)N(C)Cc2cccc(OC)c2)CC1=O ZINC000191557489 396421150 /nfs/dbraw/zinc/42/11/50/396421150.db2.gz IQIFPXUQKFJOEQ-UHFFFAOYSA-N 0 0 305.378 0.775 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(CNC(C)=O)s1 ZINC000191563596 396421248 /nfs/dbraw/zinc/42/12/48/396421248.db2.gz VKKHEETYHHGUBQ-VIFPVBQESA-N 0 0 311.407 0.981 10 0 DCAERN CCN1CN(CC(=O)NCCOc2cccc(F)c2)CC1=O ZINC000191543661 396421409 /nfs/dbraw/zinc/42/14/09/396421409.db2.gz XGCXZZHUYINOBV-UHFFFAOYSA-N 0 0 309.341 0.442 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)C1 ZINC000191819095 396425180 /nfs/dbraw/zinc/42/51/80/396425180.db2.gz XNFKPKFYQZCMMD-CQSZACIVSA-N 0 0 313.361 0.797 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000191920752 396427173 /nfs/dbraw/zinc/42/71/73/396427173.db2.gz SXFDVWGCZZWZHC-CQSZACIVSA-N 0 0 304.346 0.818 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)Cc1ccccc1C(N)=O)CC2 ZINC000192038082 396428382 /nfs/dbraw/zinc/42/83/82/396428382.db2.gz BQVKEBLMXJYKRF-GFCCVEGCSA-N 0 0 313.361 0.359 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)CCc3ccncn3)C2)cn1 ZINC000192365117 396430727 /nfs/dbraw/zinc/43/07/27/396430727.db2.gz OKADDFDAUAODPP-AWEZNQCLSA-N 0 0 314.393 0.928 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC000192619476 396433297 /nfs/dbraw/zinc/43/32/97/396433297.db2.gz GDZIRMROEOYGID-HZSPNIEDSA-N 0 0 312.410 0.755 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000192715409 396436101 /nfs/dbraw/zinc/43/61/01/396436101.db2.gz FXBBAFGINHLTJB-CQSZACIVSA-N 0 0 303.362 0.544 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000192919757 396440511 /nfs/dbraw/zinc/44/05/11/396440511.db2.gz PRSAXEOFHKALQQ-CYBMUJFWSA-N 0 0 320.393 0.474 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCc1cccc(F)c1 ZINC000193211692 396446445 /nfs/dbraw/zinc/44/64/45/396446445.db2.gz AMIDDFYSWZKTCK-HUUCEWRRSA-N 0 0 308.353 0.856 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@H](OC)C2)o1 ZINC000187890073 396375645 /nfs/dbraw/zinc/37/56/45/396375645.db2.gz LYETWBNDSVGGEX-MWLCHTKSSA-N 0 0 316.379 0.685 10 0 DCAERN COC(=O)C1(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1 ZINC000188067405 396378404 /nfs/dbraw/zinc/37/84/04/396378404.db2.gz NYEBCENRQFYERB-UHFFFAOYSA-N 0 0 318.377 0.889 10 0 DCAERN O=C([C@H]1CCCS1(=O)=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000515179369 396500703 /nfs/dbraw/zinc/50/07/03/396500703.db2.gz JZHMZDZCPQOWLM-VXNVDRBHSA-N 0 0 301.286 0.089 10 0 DCAERN C[C@@H]1OCCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@H]1C ZINC000291742050 396509892 /nfs/dbraw/zinc/50/98/92/396509892.db2.gz LUFYYZVHEAWKDG-UWVGGRQHSA-N 0 0 306.366 0.872 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@](C)(O)CCC(C)C ZINC000193400250 396449910 /nfs/dbraw/zinc/44/99/10/396449910.db2.gz MOYNXHYLPQJLQX-UMVBOHGHSA-N 0 0 300.399 0.272 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)n2)CC1 ZINC000193489054 396452589 /nfs/dbraw/zinc/45/25/89/396452589.db2.gz AMGMXNPSWMWQQM-ZDUSSCGKSA-N 0 0 320.393 0.244 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)n1 ZINC000193500172 396452596 /nfs/dbraw/zinc/45/25/96/396452596.db2.gz LEHDRJGQCBSFSM-UHFFFAOYSA-N 0 0 324.406 0.725 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCO[C@@H](CO)C1 ZINC000270113527 396461569 /nfs/dbraw/zinc/46/15/69/396461569.db2.gz ZZWCLQWMVARCNP-QWHCGFSZSA-N 0 0 306.366 0.063 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1cn[nH]c1 ZINC000270176230 396462463 /nfs/dbraw/zinc/46/24/63/396462463.db2.gz CDVMVRLZBVCOPM-YPMHNXCESA-N 0 0 321.381 0.504 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000371712783 396474972 /nfs/dbraw/zinc/47/49/72/396474972.db2.gz ASUIBQKJJBXYBE-ZDUSSCGKSA-N 0 0 304.350 0.172 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000580085419 396487554 /nfs/dbraw/zinc/48/75/54/396487554.db2.gz RLVGQYNUNBOSJH-PHIMTYICSA-N 0 0 308.338 0.029 10 0 DCAERN C[C@]1(CNC(=O)C(=O)N2CCN(C3CC3)CC2)CCCS1 ZINC000580114819 396488962 /nfs/dbraw/zinc/48/89/62/396488962.db2.gz JLQJEDVZMJTDDC-OAHLLOKOSA-N 0 0 311.451 0.695 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCCO[C@H]1CC1(F)F ZINC000594840078 396525592 /nfs/dbraw/zinc/52/55/92/396525592.db2.gz KNCQSFWFQYDLJR-QMMMGPOBSA-N 0 0 301.311 0.283 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000372587198 396529724 /nfs/dbraw/zinc/52/97/24/396529724.db2.gz VNDOSZIBYJPXMJ-LPWJVIDDSA-N 0 0 323.393 0.590 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc2ncnn21 ZINC000527335992 396534784 /nfs/dbraw/zinc/53/47/84/396534784.db2.gz FWSQVDZXPCMPOJ-GFCCVEGCSA-N 0 0 301.350 0.716 10 0 DCAERN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CC(=O)NCc1ccccc1 ZINC000292420623 396549710 /nfs/dbraw/zinc/54/97/10/396549710.db2.gz MTNGHULRCVODCF-GDBMZVCRSA-N 0 0 305.422 0.690 10 0 DCAERN Cn1cnc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c1 ZINC000373038339 396561588 /nfs/dbraw/zinc/56/15/88/396561588.db2.gz TULYGJPHKUOLCF-IINYFYTJSA-N 0 0 316.365 0.103 10 0 DCAERN CN(CC1CC1)C(=O)CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000531010543 396586649 /nfs/dbraw/zinc/58/66/49/396586649.db2.gz GSHYKPNCIPTTEC-KBPBESRZSA-N 0 0 314.451 0.896 10 0 DCAERN CC(C)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530793 396643494 /nfs/dbraw/zinc/64/34/94/396643494.db2.gz QOVLWKJHIRGSFG-KBPBESRZSA-N 0 0 300.399 0.096 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)C1 ZINC000374218476 396647945 /nfs/dbraw/zinc/64/79/45/396647945.db2.gz SEJVFQCVOZREIH-ZNMIVQPWSA-N 0 0 308.353 0.791 10 0 DCAERN COc1ccccc1[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1 ZINC000374329911 396656290 /nfs/dbraw/zinc/65/62/90/396656290.db2.gz WCMBVFOKQOKMFT-HNNXBMFYSA-N 0 0 317.389 0.646 10 0 DCAERN COCCN(C(=O)c1cc(C)[nH]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000595462668 396612200 /nfs/dbraw/zinc/61/22/00/396612200.db2.gz STAPNTVGOYZTRX-LBPRGKRZSA-N 0 0 314.407 0.907 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cnccc2Cl)CCS1(=O)=O ZINC000293598293 396620113 /nfs/dbraw/zinc/62/01/13/396620113.db2.gz CEVGVSZGHHWFHO-SECBINFHSA-N 0 0 302.783 0.923 10 0 DCAERN Cc1cnc(COCC(=O)N2CCSC[C@H]2CCO)o1 ZINC000560610096 396621379 /nfs/dbraw/zinc/62/13/79/396621379.db2.gz QMJGCNGNLMGBAL-LLVKDONJSA-N 0 0 300.380 0.826 10 0 DCAERN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373882438 396621608 /nfs/dbraw/zinc/62/16/08/396621608.db2.gz RSBMSLHJTHZWQA-KGLIPLIRSA-N 0 0 309.410 0.762 10 0 DCAERN CO[C@@H](C)CCNC(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000584808550 396625964 /nfs/dbraw/zinc/62/59/64/396625964.db2.gz VQPFSFUTVNTBJC-NSHDSACASA-N 0 0 311.386 0.630 10 0 DCAERN CC1(C)C(=O)Nc2cc(C(=O)N3CCO[C@H](CO)C3)ccc21 ZINC000293729919 396628659 /nfs/dbraw/zinc/62/86/59/396628659.db2.gz OYOGTAOKWLDKES-NSHDSACASA-N 0 0 304.346 0.750 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374122041 396640839 /nfs/dbraw/zinc/64/08/39/396640839.db2.gz PHZPUTOHZPKXRS-AAVRWANBSA-N 0 0 321.421 0.903 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000374132133 396641497 /nfs/dbraw/zinc/64/14/97/396641497.db2.gz LIBCPESLRXPTIS-PDWCTOEPSA-N 0 0 310.394 0.696 10 0 DCAERN O=S(=O)(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1c[nH]cn1 ZINC000374734366 396683258 /nfs/dbraw/zinc/68/32/58/396683258.db2.gz IOCUVQSEDQOUAX-ZYHUDNBSSA-N 0 0 315.395 0.256 10 0 DCAERN CO[C@H](C(=O)N1CC(O)(c2ccc(F)cc2)C1)c1cnn(C)c1 ZINC000374926030 396698896 /nfs/dbraw/zinc/69/88/96/396698896.db2.gz GNXXEAGQYLUJMX-AWEZNQCLSA-N 0 0 319.336 0.977 10 0 DCAERN O=C(c1cc2c(s1)CCOC2)N1CCN2CCOC[C@@H]2C1 ZINC000374931634 396699678 /nfs/dbraw/zinc/69/96/78/396699678.db2.gz URYKWFRTXKLDCM-LBPRGKRZSA-N 0 0 308.403 0.977 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CCN4CCOC[C@H]4C3)cc12 ZINC000374959501 396700751 /nfs/dbraw/zinc/70/07/51/396700751.db2.gz DJJBEOWQWAMFLU-GFCCVEGCSA-N 0 0 301.350 0.423 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000300166752 396714979 /nfs/dbraw/zinc/71/49/79/396714979.db2.gz LJNHEGRBRHOLJQ-USZNOCQGSA-N 0 0 305.396 0.361 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000375211778 396718773 /nfs/dbraw/zinc/71/87/73/396718773.db2.gz RMAKEMADOCJTEO-GFCCVEGCSA-N 0 0 312.391 0.400 10 0 DCAERN COC[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)ncn2)C[C@H](C)O1 ZINC000302546570 396720533 /nfs/dbraw/zinc/72/05/33/396720533.db2.gz IZDVOGFYRILCQA-MJBXVCDLSA-N 0 0 322.409 0.678 10 0 DCAERN COCc1cccc(CC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000375279882 396723903 /nfs/dbraw/zinc/72/39/03/396723903.db2.gz PSMJOZOXZANEQM-MRXNPFEDSA-N 0 0 304.390 0.919 10 0 DCAERN CC[C@@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000294179190 396659259 /nfs/dbraw/zinc/65/92/59/396659259.db2.gz RWWRTGJJAODSBK-NSHDSACASA-N 0 0 300.380 0.438 10 0 DCAERN C[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC[S@@]1=O ZINC000562368591 396659532 /nfs/dbraw/zinc/65/95/32/396659532.db2.gz FOHKVVFNQVGGOL-HFUQMLBGSA-N 0 0 305.440 0.386 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375656757 396790339 /nfs/dbraw/zinc/79/03/39/396790339.db2.gz JDUHDANYMWLLKZ-UHFFFAOYSA-N 0 0 314.382 0.916 10 0 DCAERN Cc1nc([C@@H]2CCCCN2C(=O)CN2CCOCC2=O)no1 ZINC000375669343 396792761 /nfs/dbraw/zinc/79/27/61/396792761.db2.gz QKEHBHHMLJCONH-NSHDSACASA-N 0 0 308.338 0.290 10 0 DCAERN CC[C@H]1CCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000590167776 396742653 /nfs/dbraw/zinc/74/26/53/396742653.db2.gz GDYVADAMKFJJMB-LBPRGKRZSA-N 0 0 303.428 0.996 10 0 DCAERN O=c1ccc(I)cn1C[C@H]1COCCO1 ZINC000596309918 396760758 /nfs/dbraw/zinc/76/07/58/396760758.db2.gz ZGQAZTHUNWYAHN-VIFPVBQESA-N 0 0 321.114 0.868 10 0 DCAERN O=C([C@@H]1CCCCS1(=O)=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329021455 304322863 /nfs/dbraw/zinc/32/28/63/304322863.db2.gz MFIMEQUFINWDCZ-RYUDHWBXSA-N 0 0 312.395 0.236 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000313955794 396774249 /nfs/dbraw/zinc/77/42/49/396774249.db2.gz DTHIPRCIVYUWKC-NHYWBVRUSA-N 0 0 306.387 0.715 10 0 DCAERN CN1CCN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1c1ncc[nH]1 ZINC000328639236 396828181 /nfs/dbraw/zinc/82/81/81/396828181.db2.gz WTSCRVMRJMIRHX-KGLIPLIRSA-N 0 0 300.362 0.958 10 0 DCAERN C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000328644085 396828934 /nfs/dbraw/zinc/82/89/34/396828934.db2.gz RQKWOMTUODWBCJ-IHRRRGAJSA-N 0 0 304.394 0.934 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C ZINC000329529337 396845473 /nfs/dbraw/zinc/84/54/73/396845473.db2.gz TVEQYCRLOQTRGW-CBBWQLFWSA-N 0 0 312.410 0.217 10 0 DCAERN C[C@@H]1CN(C(=O)C2(c3ccccc3)CC(=O)C2)CCS1(=O)=O ZINC000329573029 396846539 /nfs/dbraw/zinc/84/65/39/396846539.db2.gz NFVRFCPCFAYDSS-GFCCVEGCSA-N 0 0 321.398 0.933 10 0 DCAERN Cc1noc(CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)n1 ZINC000591149161 396880886 /nfs/dbraw/zinc/88/08/86/396880886.db2.gz PWNITVXGNHAARF-GFCCVEGCSA-N 0 0 313.321 0.465 10 0 DCAERN O=C1CO[C@@H]2CCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)C[C@H]2N1 ZINC000333218858 396919888 /nfs/dbraw/zinc/91/98/88/396919888.db2.gz WBWNPQSOPPMYQG-MLGHIDQZSA-N 0 0 314.407 0.094 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)c2cc(-n3cccc3)ccn2)CCO1 ZINC000376724156 396968211 /nfs/dbraw/zinc/96/82/11/396968211.db2.gz WPIPDDUMORHVPD-CYBMUJFWSA-N 0 0 300.318 0.199 10 0 DCAERN COC(=O)c1cccc(CCNC(=O)NCc2cn(C)nn2)c1 ZINC000611941259 396952612 /nfs/dbraw/zinc/95/26/12/396952612.db2.gz LJRKMKRBMBJIEQ-UHFFFAOYSA-N 0 0 317.349 0.644 10 0 DCAERN CCOC(=O)c1cc(NC(=O)NCc2cn(C)nn2)cn1C ZINC000611944419 396954662 /nfs/dbraw/zinc/95/46/62/396954662.db2.gz MNEZSKDRYDXWCD-UHFFFAOYSA-N 0 0 306.326 0.652 10 0 DCAERN CSCc1cccc(NC(=O)C(=O)NCc2cn(C)nn2)c1 ZINC000611952225 396957078 /nfs/dbraw/zinc/95/70/78/396957078.db2.gz QFRDNKFPCBEGDI-UHFFFAOYSA-N 0 0 319.390 0.933 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)Nc2cccc3c2OCCC3)CCO1 ZINC000376645238 396957632 /nfs/dbraw/zinc/95/76/32/396957632.db2.gz TYUMWKGMELCCLR-GFCCVEGCSA-N 0 0 305.334 0.730 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(F)c2)CCN1S(C)(=O)=O ZINC000618675082 397009406 /nfs/dbraw/zinc/00/94/06/397009406.db2.gz AULXBEGKGNWJFE-SECBINFHSA-N 0 0 301.343 0.327 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1S(C)(=O)=O ZINC000618682678 397013116 /nfs/dbraw/zinc/01/31/16/397013116.db2.gz VUSKXAWQECFSOP-SNVBAGLBSA-N 0 0 300.355 0.932 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H]2CCC[C@@H](O)C2)CC1=O ZINC000378017851 397179261 /nfs/dbraw/zinc/17/92/61/397179261.db2.gz JQZGHLGARFOGTQ-ITGHMWBKSA-N 0 0 309.410 0.846 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cc(Br)ccn1 ZINC000574242891 397248215 /nfs/dbraw/zinc/24/82/15/397248215.db2.gz SHIWTDYBPWFITE-UHFFFAOYSA-N 0 0 314.139 0.641 10 0 DCAERN CCN1CC[C@H](NC(=O)CCc2nc(CSC)no2)C1=O ZINC000619803008 397196561 /nfs/dbraw/zinc/19/65/61/397196561.db2.gz VGHNXJSGJXPMMM-VIFPVBQESA-N 0 0 312.395 0.602 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCNC(=O)[C@@H]1C)CC2 ZINC000364550603 397219717 /nfs/dbraw/zinc/21/97/17/397219717.db2.gz HSOFHDGEWYBBJY-QWRGUYRKSA-N 0 0 304.394 0.985 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)C1 ZINC000592654175 397231269 /nfs/dbraw/zinc/23/12/69/397231269.db2.gz PKHJYNSSNQESEM-UHFFFAOYSA-N 0 0 323.353 0.037 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000364767395 397245327 /nfs/dbraw/zinc/24/53/27/397245327.db2.gz FJNTURNKFTYKPI-NSHDSACASA-N 0 0 319.361 0.290 10 0 DCAERN CC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1nccs1 ZINC000382380929 397274344 /nfs/dbraw/zinc/27/43/44/397274344.db2.gz RHDAGSGHICJSPJ-VHSXEESVSA-N 0 0 305.425 0.502 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2coc(Br)c2)C1=O ZINC000383278691 397276668 /nfs/dbraw/zinc/27/66/68/397276668.db2.gz IDEPSSAMAHBWJH-LURJTMIESA-N 0 0 301.096 0.529 10 0 DCAERN CN(CCCCO)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000385133487 397283348 /nfs/dbraw/zinc/28/33/48/397283348.db2.gz LJQVFJJUCUBOPS-UHFFFAOYSA-N 0 0 300.380 0.196 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000385892569 397286946 /nfs/dbraw/zinc/28/69/46/397286946.db2.gz DMYBUNZVRSLCJV-LLVKDONJSA-N 0 0 316.155 0.230 10 0 DCAERN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)N1 ZINC000365523650 397290995 /nfs/dbraw/zinc/29/09/95/397290995.db2.gz RMVIZEOBHKXRQI-CYBMUJFWSA-N 0 0 315.395 0.180 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@H](C)O1 ZINC000395105377 397309306 /nfs/dbraw/zinc/30/93/06/397309306.db2.gz OWKQLMFKUNTQJW-FJXKBIBVSA-N 0 0 304.393 0.691 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000407951592 397333286 /nfs/dbraw/zinc/33/32/86/397333286.db2.gz CGLZWTRRFCZRHX-WOPDTQHZSA-N 0 0 319.427 0.120 10 0 DCAERN CC(=O)c1ccc(C(=O)NCCC2CS(=O)(=O)C2)cc1O ZINC000613852009 397335412 /nfs/dbraw/zinc/33/54/12/397335412.db2.gz FDLJVXJBVZJPCG-UHFFFAOYSA-N 0 0 311.359 0.759 10 0 DCAERN O=C1CN(S(=O)(=O)c2c[nH]c3ncccc23)CCN1C1CC1 ZINC000407956593 397335998 /nfs/dbraw/zinc/33/59/98/397335998.db2.gz KNFUCDSCWJSPMF-UHFFFAOYSA-N 0 0 320.374 0.558 10 0 DCAERN O=C1CN(S(=O)(=O)c2cccc(F)c2F)CCN1C1CC1 ZINC000407960167 397336723 /nfs/dbraw/zinc/33/67/23/397336723.db2.gz WYOFCLLSZAVUPO-UHFFFAOYSA-N 0 0 316.329 0.960 10 0 DCAERN O=C1CN(S(=O)(=O)CC2CCOCC2)CCN1C1CC1 ZINC000407960748 397338107 /nfs/dbraw/zinc/33/81/07/397338107.db2.gz ZOCVSURKWFNUSY-UHFFFAOYSA-N 0 0 302.396 0.049 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000407961956 397338158 /nfs/dbraw/zinc/33/81/58/397338158.db2.gz KYRQMILIOWGDEK-RVMXOQNASA-N 0 0 313.398 0.082 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000407969935 397341622 /nfs/dbraw/zinc/34/16/22/397341622.db2.gz AFAMWTCTNBPZQG-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000599156219 397349491 /nfs/dbraw/zinc/34/94/91/397349491.db2.gz LASDMXVGWKFWKW-UHFFFAOYSA-N 0 0 322.346 0.543 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000408333843 397353652 /nfs/dbraw/zinc/35/36/52/397353652.db2.gz IYDYXTSFOJJVPK-NEPJUHHUSA-N 0 0 319.423 0.895 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1CCC(C)CC1 ZINC000408354613 397354987 /nfs/dbraw/zinc/35/49/87/397354987.db2.gz LXOCRSTZRGNMMH-ZDUSSCGKSA-N 0 0 306.428 0.700 10 0 DCAERN CC1(C)CN(C(=O)NCCc2cnccn2)C[C@@]2(CCOC2)O1 ZINC000366279803 397361677 /nfs/dbraw/zinc/36/16/77/397361677.db2.gz KWXXCULCTSSKHB-MRXNPFEDSA-N 0 0 320.393 0.999 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000366527292 397371912 /nfs/dbraw/zinc/37/19/12/397371912.db2.gz WSGDEGRNJJYEGH-WUHRBBMRSA-N 0 0 318.439 0.755 10 0 DCAERN CO[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1c1c[nH]nn1 ZINC000621317372 397373863 /nfs/dbraw/zinc/37/38/63/397373863.db2.gz YVEMEUZDUKQRQX-WCQYABFASA-N 0 0 317.397 0.737 10 0 DCAERN CCOC(=O)c1noc(CSC[C@@H]2CN(C)CCO2)n1 ZINC000400968859 397319560 /nfs/dbraw/zinc/31/95/60/397319560.db2.gz UIWPRRPZWACZFE-VIFPVBQESA-N 0 0 301.368 0.810 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(=O)[nH]c1 ZINC000365815302 397320508 /nfs/dbraw/zinc/32/05/08/397320508.db2.gz KUGKVSRVJMZKID-LBPRGKRZSA-N 0 0 305.334 0.297 10 0 DCAERN CNC(=O)c1cccnc1N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000578491905 397442041 /nfs/dbraw/zinc/44/20/41/397442041.db2.gz OJSZPLGKFANBPR-HNNXBMFYSA-N 0 0 316.365 0.064 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369557356 397442687 /nfs/dbraw/zinc/44/26/87/397442687.db2.gz VANQHDSJVUZESD-CYBMUJFWSA-N 0 0 306.428 0.196 10 0 DCAERN O=C(c1nnc2ccccc2n1)N1CC[C@H](N2CCOCC2)C1 ZINC000366698404 397391851 /nfs/dbraw/zinc/39/18/51/397391851.db2.gz IUWFAZBSYROQSY-LBPRGKRZSA-N 0 0 313.361 0.572 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000367726577 397407391 /nfs/dbraw/zinc/40/73/91/397407391.db2.gz SLDGTKTZESLNHP-AGIUHOORSA-N 0 0 308.378 0.799 10 0 DCAERN COC(C)(C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000593625811 397411364 /nfs/dbraw/zinc/41/13/64/397411364.db2.gz BYJAZBYWSOVJHT-UHFFFAOYSA-N 0 0 311.382 0.782 10 0 DCAERN CCOC(=O)c1ncc(CN2C[C@@H](C)O[C@H](CO)C2)s1 ZINC000602816684 397493648 /nfs/dbraw/zinc/49/36/48/397493648.db2.gz RDMFOMGLFJIFPY-ZJUUUORDSA-N 0 0 300.380 0.901 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(C)noc1C ZINC000488163200 397487094 /nfs/dbraw/zinc/48/70/94/397487094.db2.gz ONGHXSPVZAVLFU-IUCAKERBSA-N 0 0 311.338 0.478 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1(CCOC)CC1 ZINC000488254819 397488157 /nfs/dbraw/zinc/48/81/57/397488157.db2.gz RQCSHUPQQNBHCF-WDEREUQCSA-N 0 0 314.382 0.376 10 0 DCAERN O=S(=O)(C1COC1)N1CCO[C@H](COc2ccccc2)C1 ZINC000579545665 397578386 /nfs/dbraw/zinc/57/83/86/397578386.db2.gz FDRPIITYWRGOAL-ZDUSSCGKSA-N 0 0 313.375 0.495 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000603286303 397593069 /nfs/dbraw/zinc/59/30/69/397593069.db2.gz ZVIMLTCFQYAWFQ-SECBINFHSA-N 0 0 311.400 0.297 10 0 DCAERN COc1cccc(C[C@H](O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000579911832 397597272 /nfs/dbraw/zinc/59/72/72/397597272.db2.gz VZOABJUELINQPN-ZBFHGGJFSA-N 0 0 320.389 0.142 10 0 DCAERN COC[C@](C)(NC(=O)CCCN1C(=O)CCC1=O)C(F)(F)F ZINC000608225500 397721391 /nfs/dbraw/zinc/72/13/91/397721391.db2.gz YXPMNOXTUGKXLF-LBPRGKRZSA-N 0 0 324.299 0.999 10 0 DCAERN CN1C[C@H](NC(=O)NCc2nnc3ccccn32)CCC1=O ZINC000606479282 397682211 /nfs/dbraw/zinc/68/22/11/397682211.db2.gz QGMLHENBDSQABO-SNVBAGLBSA-N 0 0 302.338 0.149 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000607581508 397703532 /nfs/dbraw/zinc/70/35/32/397703532.db2.gz TYADLGKPNNFHKX-GFCCVEGCSA-N 0 0 307.398 0.420 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000407989174 286119516 /nfs/dbraw/zinc/11/95/16/286119516.db2.gz GCXWYNVQYNICQQ-RWMBFGLXSA-N 0 0 307.412 0.621 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)C2(C(=O)NC)CC2)C12CCOCC2 ZINC000186450955 286252817 /nfs/dbraw/zinc/25/28/17/286252817.db2.gz BRNUGYMJHTVFSB-VXGBXAGGSA-N 0 0 310.394 0.603 10 0 DCAERN CCO[C@@H]1C[C@H](N(C)C(=O)CS(=O)(=O)NC)C12CCCC2 ZINC000175216092 286317384 /nfs/dbraw/zinc/31/73/84/286317384.db2.gz NRVNZWYRVZRKPH-NWDGAFQWSA-N 0 0 318.439 0.732 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)Nc2ncnn2C)C12CCOCC2 ZINC000184552542 286533156 /nfs/dbraw/zinc/53/31/56/286533156.db2.gz BFWNFLRTMBTSRL-QWRGUYRKSA-N 0 0 309.370 0.911 10 0 DCAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1(C(=O)N(C)C)CC1)CC2 ZINC000408272345 286543345 /nfs/dbraw/zinc/54/33/45/286543345.db2.gz CEBRVDQPGVQIIL-STQMWFEESA-N 0 0 324.421 0.633 10 0 DCAERN COCCCNC(=O)[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000173626840 292360030 /nfs/dbraw/zinc/36/00/30/292360030.db2.gz VXVIOLQZFXRRNB-VXGBXAGGSA-N 0 0 309.414 0.806 10 0 DCAERN COCCCS(=O)(=O)NCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000175102224 292373092 /nfs/dbraw/zinc/37/30/92/292373092.db2.gz UEWSLZMAROLWKA-UONOGXRCSA-N 0 0 320.455 0.586 10 0 DCAERN CS(=O)(=O)c1cccnc1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000302755100 286644340 /nfs/dbraw/zinc/64/43/40/286644340.db2.gz VRJRPHZSMWDCDY-JTQLQIEISA-N 0 0 310.297 0.989 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)no1 ZINC000042010799 157992503 /nfs/dbraw/zinc/99/25/03/157992503.db2.gz QRJJXLZWMCMLKT-LBPRGKRZSA-N 0 0 307.350 0.694 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000046905277 158001786 /nfs/dbraw/zinc/00/17/86/158001786.db2.gz DHMAOYYEBGLQRJ-ZDUSSCGKSA-N 0 0 320.397 0.271 10 0 DCAERN Cc1c([C@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000046801062 158001973 /nfs/dbraw/zinc/00/19/73/158001973.db2.gz OZNUSSXAINEGKN-MXWKQRLJSA-N 0 0 316.427 0.733 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N(C)Cc1ccccc1N ZINC000049064014 158009813 /nfs/dbraw/zinc/00/98/13/158009813.db2.gz DXUVUXDMZBHHRK-UHFFFAOYSA-N 0 0 300.380 0.984 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)C(=O)OC ZINC000049499000 158010632 /nfs/dbraw/zinc/01/06/32/158010632.db2.gz LHTOHNZFHJXELT-ZCFIWIBFSA-N 0 0 319.335 0.523 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2O)CC1 ZINC000051994800 158016091 /nfs/dbraw/zinc/01/60/91/158016091.db2.gz WUPHEUBNMKUBKQ-QWHCGFSZSA-N 0 0 318.439 0.468 10 0 DCAERN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCNC(=O)CC1 ZINC000054258129 158019639 /nfs/dbraw/zinc/01/96/39/158019639.db2.gz HUTLQVWTDAZWRN-NEPJUHHUSA-N 0 0 310.398 0.213 10 0 DCAERN Cc1ccc(NC(=O)NC(=O)CN2CCNC(=O)CC2)cc1C ZINC000054259151 158019751 /nfs/dbraw/zinc/01/97/51/158019751.db2.gz KXWHSDOLOMXETL-UHFFFAOYSA-N 0 0 318.377 0.773 10 0 DCAERN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCNC(=O)CC1 ZINC000054258895 158020282 /nfs/dbraw/zinc/02/02/82/158020282.db2.gz PWEDBVDIJLLBNG-LLVKDONJSA-N 0 0 316.361 0.182 10 0 DCAERN Cc1cccc(NC(=O)NC(=O)CN2CCNC(=O)CC2)c1C ZINC000054259149 158020464 /nfs/dbraw/zinc/02/04/64/158020464.db2.gz GXZCAHUVJVMOGQ-UHFFFAOYSA-N 0 0 318.377 0.773 10 0 DCAERN CCCC(=O)NCC(=O)NCc1cccnc1-n1ccnc1 ZINC000054710395 158021940 /nfs/dbraw/zinc/02/19/40/158021940.db2.gz XZITUBSQDIFBSL-UHFFFAOYSA-N 0 0 301.350 0.800 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NC1CC1 ZINC000066067276 158034575 /nfs/dbraw/zinc/03/45/75/158034575.db2.gz VYHFYLOQRXDSHP-SNVBAGLBSA-N 0 0 304.350 0.591 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)CC2)cc1C ZINC000068465481 158043219 /nfs/dbraw/zinc/04/32/19/158043219.db2.gz VDBXMMOJEMKCLN-UHFFFAOYSA-N 0 0 303.362 0.382 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCN(C2CC2)CC1 ZINC000072684348 158052039 /nfs/dbraw/zinc/05/20/39/158052039.db2.gz FAPWHCXYMIVNSY-LBPRGKRZSA-N 0 0 317.455 0.689 10 0 DCAERN O=C(NCCN1CCOCC1)[C@@H]1CCCN1c1nccs1 ZINC000075484922 158062337 /nfs/dbraw/zinc/06/23/37/158062337.db2.gz JRPOOMBMFALKFL-LBPRGKRZSA-N 0 0 310.423 0.560 10 0 DCAERN C[C@H](CNC(=O)[C@H]1CCCN1c1nccs1)N1CCOCC1 ZINC000075573904 158062385 /nfs/dbraw/zinc/06/23/85/158062385.db2.gz ZSUUNXHUGAVRFU-CHWSQXEVSA-N 0 0 324.450 0.949 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2C[C@H]2C)ccc1F ZINC000076097801 158063370 /nfs/dbraw/zinc/06/33/70/158063370.db2.gz ZHVTUEIKVPMSAP-HQJQHLMTSA-N 0 0 318.312 0.573 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000075895830 158063550 /nfs/dbraw/zinc/06/35/50/158063550.db2.gz SNXUFAZHIRTNRJ-GFCCVEGCSA-N 0 0 302.334 0.549 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000077620159 158068968 /nfs/dbraw/zinc/06/89/68/158068968.db2.gz RUSGGQGGLOMMMJ-GXTWGEPZSA-N 0 0 324.425 0.698 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC000079684707 158078675 /nfs/dbraw/zinc/07/86/75/158078675.db2.gz JHFHNOOZJSJLOO-DGCLKSJQSA-N 0 0 310.398 0.307 10 0 DCAERN CCc1cnc(CCNC(=O)CN2C(=O)CN(C)C2=O)s1 ZINC000081204461 158082784 /nfs/dbraw/zinc/08/27/84/158082784.db2.gz SXFNQSWNALBOKY-UHFFFAOYSA-N 0 0 310.379 0.258 10 0 DCAERN CC1(C)CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000081353077 158084790 /nfs/dbraw/zinc/08/47/90/158084790.db2.gz YPOXBSRCOINPBC-UHFFFAOYSA-N 0 0 301.346 0.948 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000089757650 158098710 /nfs/dbraw/zinc/09/87/10/158098710.db2.gz YMNHFKROHHNZCY-YPMHNXCESA-N 0 0 313.361 0.993 10 0 DCAERN CCCc1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)n(C)n1 ZINC000090817762 158104935 /nfs/dbraw/zinc/10/49/35/158104935.db2.gz LZZNTWPIOSCDMR-UHFFFAOYSA-N 0 0 307.354 0.642 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)CN1CCn2c(nn(C)c2=O)C1 ZINC000090680453 158105487 /nfs/dbraw/zinc/10/54/87/158105487.db2.gz KROCCJUACIVELO-GFCCVEGCSA-N 0 0 307.398 0.189 10 0 DCAERN COCCN1CCN(Cc2nc(-c3ccoc3)no2)CC1=O ZINC000091839621 158110601 /nfs/dbraw/zinc/11/06/01/158110601.db2.gz WRDMVMBCBSDQOS-UHFFFAOYSA-N 0 0 306.322 0.620 10 0 DCAERN COc1ccc(-c2nc(CN3CCOC[C@H]3C(N)=O)no2)cc1 ZINC000092231186 158112472 /nfs/dbraw/zinc/11/24/72/158112472.db2.gz RGPGPXSIFSXBHM-LBPRGKRZSA-N 0 0 318.333 0.431 10 0 DCAERN NC(=O)[C@@H]1COCCN1CCC(=O)N1CCc2sccc2C1 ZINC000092229733 158112780 /nfs/dbraw/zinc/11/27/80/158112780.db2.gz WYMRZNMJHSIGCA-LBPRGKRZSA-N 0 0 323.418 0.209 10 0 DCAERN Cc1nc(C(=O)N[C@H](CO)Cc2ccccc2)c(=O)[nH]c1C ZINC000092530584 158114817 /nfs/dbraw/zinc/11/48/17/158114817.db2.gz XKJNCGKESNQPCR-ZDUSSCGKSA-N 0 0 301.346 0.720 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000096610487 158123766 /nfs/dbraw/zinc/12/37/66/158123766.db2.gz OBFCUVHZJYNRBR-JTQLQIEISA-N 0 0 307.368 0.154 10 0 DCAERN CS(=O)(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000101926653 158127695 /nfs/dbraw/zinc/12/76/95/158127695.db2.gz FUDCBAKIULHPTR-UHFFFAOYSA-N 0 0 306.453 0.670 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC(Nc2cccnn2)CC1 ZINC000105804498 158131408 /nfs/dbraw/zinc/13/14/08/158131408.db2.gz IMODVRVRAQEEAO-LLVKDONJSA-N 0 0 320.397 0.587 10 0 DCAERN O=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CCC1 ZINC000108858336 158136999 /nfs/dbraw/zinc/13/69/99/158136999.db2.gz BXXYXWZOKOAWRX-UHFFFAOYSA-N 0 0 320.437 0.971 10 0 DCAERN CCn1cnnc1C1CCN(CCNS(=O)(=O)CC)CC1 ZINC000109329552 158138369 /nfs/dbraw/zinc/13/83/69/158138369.db2.gz ZKBHWCXDTATIGA-UHFFFAOYSA-N 0 0 315.443 0.417 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000110605160 158138912 /nfs/dbraw/zinc/13/89/12/158138912.db2.gz TVFRPFYPIWXBNR-QWRGUYRKSA-N 0 0 308.407 0.836 10 0 DCAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112652696 158143584 /nfs/dbraw/zinc/14/35/84/158143584.db2.gz HRWPKNWXMATHMB-AAEUAGOBSA-N 0 0 314.345 0.989 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114583689 158154871 /nfs/dbraw/zinc/15/48/71/158154871.db2.gz KADBFRBOTQAJHX-GFCCVEGCSA-N 0 0 304.350 0.227 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1OC)CC2 ZINC000114861910 158157157 /nfs/dbraw/zinc/15/71/57/158157157.db2.gz CYXRZTRSRSTDDC-JTQLQIEISA-N 0 0 301.350 0.989 10 0 DCAERN O=C(CCNC(=O)c1ccco1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114854355 158157674 /nfs/dbraw/zinc/15/76/74/158157674.db2.gz OSNPUDORYJNOPE-CYBMUJFWSA-N 0 0 321.377 0.379 10 0 DCAERN CC(C)NC(=O)CCCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114856853 158158129 /nfs/dbraw/zinc/15/81/29/158158129.db2.gz VJTPEQOGLYBVBB-CQSZACIVSA-N 0 0 311.426 0.661 10 0 DCAERN CCNC(=O)CCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114866540 158158827 /nfs/dbraw/zinc/15/88/27/158158827.db2.gz BVJWRXITJMOQPL-LLVKDONJSA-N 0 0 307.398 0.578 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CN1CCCCC1=O)CC2 ZINC000114864311 158158921 /nfs/dbraw/zinc/15/89/21/158158921.db2.gz NVEXNFDVEVDSKO-NSHDSACASA-N 0 0 305.382 0.284 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCn1cccn1)CC2 ZINC000114922685 158160155 /nfs/dbraw/zinc/16/01/55/158160155.db2.gz QPVXHMRGNSAUCX-LBPRGKRZSA-N 0 0 317.397 0.741 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116934510 158168201 /nfs/dbraw/zinc/16/82/01/158168201.db2.gz BDMPVQJNZXNXKQ-GRYCIOLGSA-N 0 0 303.428 0.898 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117295261 158170103 /nfs/dbraw/zinc/17/01/03/158170103.db2.gz FSHGLNVLUNKDNC-AWEZNQCLSA-N 0 0 313.442 0.862 10 0 DCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000117805761 158173304 /nfs/dbraw/zinc/17/33/04/158173304.db2.gz KVTLHKIANUVEQQ-ZUZCIYMTSA-N 0 0 302.330 0.816 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000119155126 158183877 /nfs/dbraw/zinc/18/38/77/158183877.db2.gz FESFARPLEAMGBQ-SNVBAGLBSA-N 0 0 307.228 0.447 10 0 DCAERN Cc1noc(C)c1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000120187060 158194542 /nfs/dbraw/zinc/19/45/42/158194542.db2.gz VVVSHRVOJQGPBJ-NSHDSACASA-N 0 0 315.395 0.834 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2Oc3ccccc3[C@H]2C)CC1=O ZINC000120870844 158205555 /nfs/dbraw/zinc/20/55/55/158205555.db2.gz LEYQVXRQHPHERB-MLGOLLRUSA-N 0 0 318.373 0.868 10 0 DCAERN CCc1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)n(C)n1 ZINC000121064667 158206536 /nfs/dbraw/zinc/20/65/36/158206536.db2.gz OOTGNQOZDBDMOV-UHFFFAOYSA-N 0 0 323.397 0.294 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H](n2cncn2)C1 ZINC000121955538 158217761 /nfs/dbraw/zinc/21/77/61/158217761.db2.gz BTHXMRYNRBAKPS-OLZOCXBDSA-N 0 0 315.381 0.905 10 0 DCAERN O=S(=O)(NCCc1nnc[nH]1)c1cccc2ncccc21 ZINC000122072924 158218640 /nfs/dbraw/zinc/21/86/40/158218640.db2.gz RNSUFCMOVKJABP-UHFFFAOYSA-N 0 0 303.347 0.874 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000122242869 158219593 /nfs/dbraw/zinc/21/95/93/158219593.db2.gz MASNDBPHDIQOBT-SNVBAGLBSA-N 0 0 310.375 0.904 10 0 DCAERN Cc1nn(CC(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)c1Cl ZINC000122422684 158220484 /nfs/dbraw/zinc/22/04/84/158220484.db2.gz NKJPDYGKYWNGOB-MRVPVSSYSA-N 0 0 319.814 0.799 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CC(=O)NC ZINC000122790697 158224429 /nfs/dbraw/zinc/22/44/29/158224429.db2.gz FSKQSUDLSVSSCK-UHFFFAOYSA-N 0 0 309.341 0.427 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000123254738 158228069 /nfs/dbraw/zinc/22/80/69/158228069.db2.gz SNYBEPHVLHIHOI-MLGOLLRUSA-N 0 0 320.393 0.821 10 0 DCAERN COc1c(CNC(=O)c2nc(C)c(C)[nH]c2=O)c(C)nn1C ZINC000123704376 158233130 /nfs/dbraw/zinc/23/31/30/158233130.db2.gz DUBLADWXXKFXEN-UHFFFAOYSA-N 0 0 305.338 0.367 10 0 DCAERN O=C(NCCCF)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000123888033 158235736 /nfs/dbraw/zinc/23/57/36/158235736.db2.gz RJZTYYWMAFHWGL-LLVKDONJSA-N 0 0 307.391 0.556 10 0 DCAERN O=C(NCCCF)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000123888269 158235909 /nfs/dbraw/zinc/23/59/09/158235909.db2.gz RJZTYYWMAFHWGL-NSHDSACASA-N 0 0 307.391 0.556 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000124115628 158237884 /nfs/dbraw/zinc/23/78/84/158237884.db2.gz AMIGTOOFMBVXHR-JTQLQIEISA-N 0 0 306.366 0.253 10 0 DCAERN C[C@@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)Cn1cccn1 ZINC000124167813 158238799 /nfs/dbraw/zinc/23/87/99/158238799.db2.gz ITRHBPMDHQZYGW-RYUDHWBXSA-N 0 0 314.411 0.348 10 0 DCAERN COc1cccc(CNC(=O)Cn2c(C)cc(O)cc2=O)n1 ZINC000124590978 158244091 /nfs/dbraw/zinc/24/40/91/158244091.db2.gz JWZHPVGEWVZVQW-UHFFFAOYSA-N 0 0 303.318 0.582 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCC2)cc1S(C)(=O)=O ZINC000125264919 158253464 /nfs/dbraw/zinc/25/34/64/158253464.db2.gz HPGCCEMQJPOMBX-UHFFFAOYSA-N 0 0 310.375 0.959 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCC(c3cc[nH]n3)CC2)C1=O ZINC000125383050 158254919 /nfs/dbraw/zinc/25/49/19/158254919.db2.gz RACWEMPCFGOABW-UHFFFAOYSA-N 0 0 319.365 0.446 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)CNC(=O)C(C)(C)C)[C@H]2C1 ZINC000126337149 158265381 /nfs/dbraw/zinc/26/53/81/158265381.db2.gz LUQHUJAGAWXLPL-AGIUHOORSA-N 0 0 312.410 0.944 10 0 DCAERN C[C@H](CN1CCCCC1)NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126687992 158267899 /nfs/dbraw/zinc/26/78/99/158267899.db2.gz IKESDAABLPMOBC-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN CC(C)n1cccc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000128212661 158279946 /nfs/dbraw/zinc/27/99/46/158279946.db2.gz FNYFPQHTLUAUMD-INIZCTEOSA-N 0 0 309.410 0.882 10 0 DCAERN CN(C)C(=O)CN(C)S(=O)(=O)c1cccc2ncccc21 ZINC000129260045 158287670 /nfs/dbraw/zinc/28/76/70/158287670.db2.gz VBJFHOQOKRSYGB-UHFFFAOYSA-N 0 0 307.375 0.944 10 0 DCAERN C[C@H]1CN(c2ccc(CNC(=O)N(C)CCO)cn2)C[C@H](C)O1 ZINC000129575154 158290031 /nfs/dbraw/zinc/29/00/31/158290031.db2.gz WQZSSDAUKGYPBP-STQMWFEESA-N 0 0 322.409 0.829 10 0 DCAERN Cc1noc(CCNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC000131618485 158304409 /nfs/dbraw/zinc/30/44/09/158304409.db2.gz MSIYKMLYRJZVKB-TVQRCGJNSA-N 0 0 310.379 0.491 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000131720935 158304858 /nfs/dbraw/zinc/30/48/58/158304858.db2.gz GWKTVUHRDWVVMO-LBPRGKRZSA-N 0 0 315.377 0.816 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000132395986 158310817 /nfs/dbraw/zinc/31/08/17/158310817.db2.gz RTLNSGHOKYERIF-WDEREUQCSA-N 0 0 316.423 0.504 10 0 DCAERN O=C(NCC1CC1)[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000133175233 158316941 /nfs/dbraw/zinc/31/69/41/158316941.db2.gz DDYFGFASQOUNJI-ZDUSSCGKSA-N 0 0 320.393 0.590 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000133752129 158321645 /nfs/dbraw/zinc/32/16/45/158321645.db2.gz SDBKTGYMSIAOLK-GFCCVEGCSA-N 0 0 318.439 0.179 10 0 DCAERN CC(C)[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)N1CCOCC1 ZINC000134191986 158324792 /nfs/dbraw/zinc/32/47/92/158324792.db2.gz SDKKFOJIBUTKCL-INIZCTEOSA-N 0 0 320.389 0.934 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1n[nH]cc1C ZINC000134673875 158328618 /nfs/dbraw/zinc/32/86/18/158328618.db2.gz BBEBKQVBZXYJRH-JTQLQIEISA-N 0 0 300.384 0.861 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)Nc2n[nH]cc2C)CC1 ZINC000134667655 158328941 /nfs/dbraw/zinc/32/89/41/158328941.db2.gz MTDLREJUDTWGGN-UHFFFAOYSA-N 0 0 300.384 0.718 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000134819513 158331136 /nfs/dbraw/zinc/33/11/36/158331136.db2.gz XGQJTZZMWMJLTA-FZMZJTMJSA-N 0 0 324.425 0.761 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000135143731 158333987 /nfs/dbraw/zinc/33/39/87/158333987.db2.gz SONCQCKNMCMIQG-ZIAGYGMSSA-N 0 0 324.425 0.113 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135311432 158335349 /nfs/dbraw/zinc/33/53/49/158335349.db2.gz YDTCFEYJZFCERE-SNVBAGLBSA-N 0 0 318.385 0.602 10 0 DCAERN C[C@@H](NC(=O)CCCS(C)(=O)=O)c1nnc2n1CCCC2 ZINC000135413902 158336693 /nfs/dbraw/zinc/33/66/93/158336693.db2.gz GUSYDEXWTOQHRW-SNVBAGLBSA-N 0 0 314.411 0.616 10 0 DCAERN COC[C@@H](C)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000139404248 158347836 /nfs/dbraw/zinc/34/78/36/158347836.db2.gz VNQRWCDDINCKCB-NSHDSACASA-N 0 0 304.354 0.744 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@@H](CC)COC)CCO2)[nH]1 ZINC000141693254 158347989 /nfs/dbraw/zinc/34/79/89/158347989.db2.gz AEVKJOHTOAQPNQ-QWRGUYRKSA-N 0 0 311.386 0.875 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000164982968 158363225 /nfs/dbraw/zinc/36/32/25/158363225.db2.gz ZVVAJIWTPBYEDM-CQSZACIVSA-N 0 0 307.394 0.770 10 0 DCAERN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2COCCN2)cn1 ZINC000164804867 158364039 /nfs/dbraw/zinc/36/40/39/158364039.db2.gz MCGNEAUYRLBMTF-ZDUSSCGKSA-N 0 0 301.350 0.180 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1 ZINC000166554205 158365835 /nfs/dbraw/zinc/36/58/35/158365835.db2.gz ZCTSNCLOGWPGKV-ZDUSSCGKSA-N 0 0 318.377 0.880 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)c1snnc1C(C)(C)C ZINC000194418726 289526617 /nfs/dbraw/zinc/52/66/17/289526617.db2.gz LQHGGJSFNNFTRW-UHFFFAOYSA-N 0 0 301.412 0.899 10 0 DCAERN Cn1cnnc1SCC(=O)NCc1nnc2n1CCCC2 ZINC000171022237 158379711 /nfs/dbraw/zinc/37/97/11/158379711.db2.gz WGAHKJUBPOPDQN-UHFFFAOYSA-N 0 0 307.383 0.151 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCN(c2cccnn2)CC1 ZINC000171178602 158380411 /nfs/dbraw/zinc/38/04/11/158380411.db2.gz VZCOQCZBNVFUCA-UHFFFAOYSA-N 0 0 320.397 0.223 10 0 DCAERN C[C@@H]1CN(CC2CCN(CCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000171303850 158381667 /nfs/dbraw/zinc/38/16/67/158381667.db2.gz ZQURHRZRBMXSCE-OKILXGFUSA-N 0 0 318.483 0.852 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287036 158382483 /nfs/dbraw/zinc/38/24/83/158382483.db2.gz OIFZQDLWDBEJRO-OAHLLOKOSA-N 0 0 302.374 0.805 10 0 DCAERN CCc1nccn1[C@@H]1CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000171614928 158384007 /nfs/dbraw/zinc/38/40/07/158384007.db2.gz MPGNNQLTHBIVPN-GFCCVEGCSA-N 0 0 300.428 0.761 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)COCC(C)C)CCO2)c1 ZINC000171625226 158384347 /nfs/dbraw/zinc/38/43/47/158384347.db2.gz QRPQWGQISXQEBU-HOTGVXAUSA-N 0 0 311.426 0.926 10 0 DCAERN Cc1nc2c(cnn2C)c(NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000171636851 158385467 /nfs/dbraw/zinc/38/54/67/158385467.db2.gz XRCVZSRQUBOIMB-GFCCVEGCSA-N 0 0 302.382 0.947 10 0 DCAERN CCNS(=O)(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000171951325 158388888 /nfs/dbraw/zinc/38/88/88/158388888.db2.gz FNZUTPZOEJGUOP-UHFFFAOYSA-N 0 0 309.395 0.763 10 0 DCAERN Cc1nn(C)cc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000172011461 158389287 /nfs/dbraw/zinc/38/92/87/158389287.db2.gz YJTSJROHVRCMMQ-UHFFFAOYSA-N 0 0 320.393 0.440 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1CC(=O)Nc1nncs1 ZINC000171994872 158389703 /nfs/dbraw/zinc/38/97/03/158389703.db2.gz DKQLCJWHCPAKRD-SNVBAGLBSA-N 0 0 311.411 0.809 10 0 DCAERN CS(=O)(=O)NCCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000172104466 158390387 /nfs/dbraw/zinc/39/03/87/158390387.db2.gz KVJMZNHGUMXQFS-NSHDSACASA-N 0 0 312.391 0.608 10 0 DCAERN CN1CCN(C(=O)CC2CCN(C(=O)NCC3CC3)CC2)CC1 ZINC000172306224 158392674 /nfs/dbraw/zinc/39/26/74/158392674.db2.gz LKORMTZIEPUTGN-UHFFFAOYSA-N 0 0 322.453 0.982 10 0 DCAERN Nc1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc(Cl)n1 ZINC000172360951 158393752 /nfs/dbraw/zinc/39/37/52/158393752.db2.gz BXGXUBQDUOSQMY-NSHDSACASA-N 0 0 310.785 0.910 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C)C2=O)cc1C ZINC000172417753 158394021 /nfs/dbraw/zinc/39/40/21/158394021.db2.gz XUVDAULBIMBAQZ-CYBMUJFWSA-N 0 0 303.362 0.380 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172439194 158394031 /nfs/dbraw/zinc/39/40/31/158394031.db2.gz CSXGUKXLJNQGLR-WDEREUQCSA-N 0 0 304.412 0.218 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CN(C2CC2)CCO1 ZINC000172389426 158394161 /nfs/dbraw/zinc/39/41/61/158394161.db2.gz IDGRPYOQKMUQSU-UONOGXRCSA-N 0 0 318.439 0.338 10 0 DCAERN CCNS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000172447519 158394845 /nfs/dbraw/zinc/39/48/45/158394845.db2.gz KBNWDNYOLUSBRB-QMMMGPOBSA-N 0 0 304.397 0.400 10 0 DCAERN CCNS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000172447513 158394987 /nfs/dbraw/zinc/39/49/87/158394987.db2.gz KBNWDNYOLUSBRB-MRVPVSSYSA-N 0 0 304.397 0.400 10 0 DCAERN CC(C)[C@H](C)CNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000172500052 158395125 /nfs/dbraw/zinc/39/51/25/158395125.db2.gz CTKKJRRJMMIICZ-GFCCVEGCSA-N 0 0 305.444 0.955 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CCC[C@H](n2cncn2)C1 ZINC000172541103 158395880 /nfs/dbraw/zinc/39/58/80/158395880.db2.gz CUMJSNJWMWWMDH-LBPRGKRZSA-N 0 0 314.349 0.267 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172752443 158398800 /nfs/dbraw/zinc/39/88/00/158398800.db2.gz DLSJCBLAEOTGBM-AWEZNQCLSA-N 0 0 311.426 0.614 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 ZINC000174575256 158419020 /nfs/dbraw/zinc/41/90/20/158419020.db2.gz YZPMRAYEZWPPNM-YPMHNXCESA-N 0 0 308.403 0.875 10 0 DCAERN CN(C)C(=O)CC(=O)NCCc1csc(N2CCCC2)n1 ZINC000174723205 158420022 /nfs/dbraw/zinc/42/00/22/158420022.db2.gz BUENQPLTMOQHRN-UHFFFAOYSA-N 0 0 310.423 0.880 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000175064680 158424374 /nfs/dbraw/zinc/42/43/74/158424374.db2.gz QRFOYFBQWNKNTQ-UHFFFAOYSA-N 0 0 306.428 0.541 10 0 DCAERN CNC(=O)[C@H](C)CN(C)S(=O)(=O)Cc1cccc(OC)c1 ZINC000177554916 158448680 /nfs/dbraw/zinc/44/86/80/158448680.db2.gz LSMQRGMZHGJSTP-LLVKDONJSA-N 0 0 314.407 0.839 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)n1 ZINC000178107003 158453561 /nfs/dbraw/zinc/45/35/61/158453561.db2.gz CRUMTENAVDYUGC-VXGBXAGGSA-N 0 0 306.366 0.713 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178727446 158463329 /nfs/dbraw/zinc/46/33/29/158463329.db2.gz YDULIXKIDJRVKU-OLZOCXBDSA-N 0 0 305.378 0.716 10 0 DCAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000181065281 158482593 /nfs/dbraw/zinc/48/25/93/158482593.db2.gz NSOSFBFUPXOMRE-NHYWBVRUSA-N 0 0 304.346 0.526 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000182832897 158493572 /nfs/dbraw/zinc/49/35/72/158493572.db2.gz HWYTVJFDRIRCGP-MLGOLLRUSA-N 0 0 312.410 0.681 10 0 DCAERN CCS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000183677349 158501785 /nfs/dbraw/zinc/50/17/85/158501785.db2.gz FEQYTLWBZKCCCM-LBPRGKRZSA-N 0 0 300.355 0.957 10 0 DCAERN CCOCCONC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000185474590 158520443 /nfs/dbraw/zinc/52/04/43/158520443.db2.gz GPTDBFAINUKGHM-NSHDSACASA-N 0 0 311.386 0.984 10 0 DCAERN CNC(=O)CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000185929939 158526134 /nfs/dbraw/zinc/52/61/34/158526134.db2.gz YCDVLXKCZPHDAG-HNNXBMFYSA-N 0 0 319.405 0.182 10 0 DCAERN CNS(=O)(=O)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000187730503 158540318 /nfs/dbraw/zinc/54/03/18/158540318.db2.gz LNPQIONUCPIKAG-UHFFFAOYSA-N 0 0 321.349 0.973 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCCOc1ccc(C)cc1 ZINC000188840546 158547696 /nfs/dbraw/zinc/54/76/96/158547696.db2.gz HFTPPHJZINNUMF-GDBMZVCRSA-N 0 0 320.389 0.862 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000188835475 158548097 /nfs/dbraw/zinc/54/80/97/158548097.db2.gz DVLSBOKGDZGOIN-AWEZNQCLSA-N 0 0 306.362 0.729 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000188955066 158548898 /nfs/dbraw/zinc/54/88/98/158548898.db2.gz PQTGUIMKKLNENG-SNVBAGLBSA-N 0 0 310.375 0.441 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000188955680 158549275 /nfs/dbraw/zinc/54/92/75/158549275.db2.gz BLOVDAAKZZRCKR-BXKDBHETSA-N 0 0 319.336 0.989 10 0 DCAERN CCOCCOCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000189713990 158554525 /nfs/dbraw/zinc/55/45/25/158554525.db2.gz QBMPYJDSDOEIKH-LBPRGKRZSA-N 0 0 311.386 0.287 10 0 DCAERN Cc1cc(N2CCN(C(=O)CNC(=O)CCC(C)C)CC2)n[nH]1 ZINC000189783776 158555274 /nfs/dbraw/zinc/55/52/74/158555274.db2.gz CINAPAFUKCAGLP-UHFFFAOYSA-N 0 0 321.425 0.919 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000191181880 158566416 /nfs/dbraw/zinc/56/64/16/158566416.db2.gz XSJQEOZAEIUCRK-LBPRGKRZSA-N 0 0 318.377 0.336 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)[C@H](C)COC)CC1 ZINC000193635840 158587668 /nfs/dbraw/zinc/58/76/68/158587668.db2.gz PBYRPOWOOGJZCA-LLVKDONJSA-N 0 0 306.428 0.541 10 0 DCAERN CC(C)COC1CCN(C(=O)CN2CCCS2(=O)=O)CC1 ZINC000193637366 158587684 /nfs/dbraw/zinc/58/76/84/158587684.db2.gz SWEKCENHARXDGE-UHFFFAOYSA-N 0 0 318.439 0.686 10 0 DCAERN COCCn1nc(C(=O)N[C@@H]2COc3ccccc32)ccc1=O ZINC000195013881 158603369 /nfs/dbraw/zinc/60/33/69/158603369.db2.gz MTQCYVQQLACFKR-CYBMUJFWSA-N 0 0 315.329 0.753 10 0 DCAERN Cc1csc([C@@H]2CN(CC(=O)N3CCNC3=O)CCO2)n1 ZINC000195392568 158611254 /nfs/dbraw/zinc/61/12/54/158611254.db2.gz WCUOQPBQQFYIHI-JTQLQIEISA-N 0 0 310.379 0.377 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCSCCCO)C[C@H](C)O1 ZINC000228554867 158620793 /nfs/dbraw/zinc/62/07/93/158620793.db2.gz PWZHYYLAXUEDKS-PHIMTYICSA-N 0 0 312.457 0.046 10 0 DCAERN C[C@@H](CCNC(=O)c1ccc(S(N)(=O)=O)cc1)[S@@](C)=O ZINC000229857989 158622072 /nfs/dbraw/zinc/62/20/72/158622072.db2.gz UUKLTGWASGQIDK-ZRNGKTOUSA-N 0 0 318.420 0.221 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1cccn1C ZINC000234585125 158630289 /nfs/dbraw/zinc/63/02/89/158630289.db2.gz ZKXZJPHIPHGBDL-RYUDHWBXSA-N 0 0 300.380 0.786 10 0 DCAERN CCCC(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000238873748 158644134 /nfs/dbraw/zinc/64/41/34/158644134.db2.gz NNJINVVQOGHUBQ-UHFFFAOYSA-N 0 0 300.384 0.433 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000245454870 158647203 /nfs/dbraw/zinc/64/72/03/158647203.db2.gz HPHCBFGQUXBOTP-CYBMUJFWSA-N 0 0 315.443 0.803 10 0 DCAERN CC(C)c1ccccc1OC[C@@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000250427273 158711102 /nfs/dbraw/zinc/71/11/02/158711102.db2.gz GKHQWPSMKZHZLF-XJKSGUPXSA-N 0 0 322.405 0.736 10 0 DCAERN CN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000263258735 158865607 /nfs/dbraw/zinc/86/56/07/158865607.db2.gz QQZXMVOGICUNEI-SNVBAGLBSA-N 0 0 317.361 0.820 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328644468 159016821 /nfs/dbraw/zinc/01/68/21/159016821.db2.gz GPXMSZQEDOOHLG-ZJUUUORDSA-N 0 0 308.338 0.879 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)N2CCOCC2)[nH]1 ZINC000328664594 159018665 /nfs/dbraw/zinc/01/86/65/159018665.db2.gz BVMVLPIOZFPQDR-YPMHNXCESA-N 0 0 307.398 0.887 10 0 DCAERN Cc1noc([C@H](C)N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000328669556 159019469 /nfs/dbraw/zinc/01/94/69/159019469.db2.gz MBUUGFJJMLDBMN-SMDDNHRTSA-N 0 0 319.409 0.820 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328673299 159019763 /nfs/dbraw/zinc/01/97/63/159019763.db2.gz OZWGHDIQWQALNF-HZPDHXFCSA-N 0 0 318.421 0.964 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000328744393 159025587 /nfs/dbraw/zinc/02/55/87/159025587.db2.gz KMVVRWOZWQMIAI-ZIAGYGMSSA-N 0 0 311.426 0.303 10 0 DCAERN COc1cccc(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000328784903 159029250 /nfs/dbraw/zinc/02/92/50/159029250.db2.gz VWHMEFIDMZXBLU-JTQLQIEISA-N 0 0 304.306 0.236 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000328787314 159029582 /nfs/dbraw/zinc/02/95/82/159029582.db2.gz OXEPHMFRFYNULV-LLVKDONJSA-N 0 0 309.395 0.815 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)no1 ZINC000328839374 159033342 /nfs/dbraw/zinc/03/33/42/159033342.db2.gz OGODFDZWXVNEBU-OLZOCXBDSA-N 0 0 315.395 0.218 10 0 DCAERN O=C(Cc1ccccc1)N1CC[C@@H](NS(=O)(=O)C2COC2)C1 ZINC000328841625 159034268 /nfs/dbraw/zinc/03/42/68/159034268.db2.gz PNWIUVNMIOEJNF-CYBMUJFWSA-N 0 0 324.402 0.148 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@H]2CCCCNC2=O)CCS1(=O)=O ZINC000328876346 159036707 /nfs/dbraw/zinc/03/67/07/159036707.db2.gz SLQUUNXXGLOHHF-GHMZBOCLSA-N 0 0 302.396 0.779 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2C(=O)[C@@H]3CCCCN3C2=O)C1 ZINC000328886607 159037798 /nfs/dbraw/zinc/03/77/98/159037798.db2.gz OBBBQYZCTHGOMG-QWRGUYRKSA-N 0 0 322.365 0.577 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000328889114 159038180 /nfs/dbraw/zinc/03/81/80/159038180.db2.gz QPMQCYNDXKGNBG-NXEZZACHSA-N 0 0 303.384 0.276 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328915894 159040884 /nfs/dbraw/zinc/04/08/84/159040884.db2.gz JZECMOJOUWRCCR-SRVKXCTJSA-N 0 0 300.384 0.250 10 0 DCAERN Cn1cnnc1COCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328912358 159041048 /nfs/dbraw/zinc/04/10/48/159041048.db2.gz HFANOWPBWQWMDD-WFASDCNBSA-N 0 0 308.382 0.485 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCOCC3)C2)no1 ZINC000328958148 159046627 /nfs/dbraw/zinc/04/66/27/159046627.db2.gz OJQLNORTTJRQIU-OCCSQVGLSA-N 0 0 322.409 0.880 10 0 DCAERN CO[C@H]1CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C[C@@H]1OC ZINC000329110851 159063069 /nfs/dbraw/zinc/06/30/69/159063069.db2.gz QNPOCWKCHHUQBR-QWRGUYRKSA-N 0 0 305.396 0.214 10 0 DCAERN CC(C)n1nnnc1CN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329130772 159065432 /nfs/dbraw/zinc/06/54/32/159065432.db2.gz OOUBJYHGCMVXTC-QMTHXVAHSA-N 0 0 318.385 0.049 10 0 DCAERN CCc1nnc([C@H](C)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)o1 ZINC000329138486 159066423 /nfs/dbraw/zinc/06/64/23/159066423.db2.gz RXOCBDPCKMDIHE-IMSIIYSGSA-N 0 0 318.381 0.988 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000329163292 159068969 /nfs/dbraw/zinc/06/89/69/159068969.db2.gz GFEIYQOLLUNSII-GCSSGZNBSA-N 0 0 324.421 0.510 10 0 DCAERN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000329176438 159070837 /nfs/dbraw/zinc/07/08/37/159070837.db2.gz MVVUSGBEYBYMMU-MNOVXSKESA-N 0 0 317.411 0.378 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccnc2ccnn21 ZINC000329240241 159075859 /nfs/dbraw/zinc/07/58/59/159075859.db2.gz MNNKTURJHZTETR-UHFFFAOYSA-N 0 0 320.378 0.558 10 0 DCAERN C[C@H](CNC(=O)c1ccc2nccnc2n1)N1CCOCC1 ZINC000329267763 159077210 /nfs/dbraw/zinc/07/72/10/159077210.db2.gz GKUNCAXABAWBAD-LLVKDONJSA-N 0 0 301.350 0.475 10 0 DCAERN CN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@@H]1CCOC1 ZINC000329325235 159081915 /nfs/dbraw/zinc/08/19/15/159081915.db2.gz STDFPVKUVMJLCZ-JHJVBQTASA-N 0 0 308.378 0.799 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)nn1 ZINC000329328688 159083244 /nfs/dbraw/zinc/08/32/44/159083244.db2.gz KOTKPCMUSXGPOH-YRRQLQLVSA-N 0 0 310.354 0.114 10 0 DCAERN C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCS1(=O)=O ZINC000329404250 159089926 /nfs/dbraw/zinc/08/99/26/159089926.db2.gz CHKFYSLTIGJWHP-NEPJUHHUSA-N 0 0 305.396 0.218 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1OC ZINC000329473645 159096315 /nfs/dbraw/zinc/09/63/15/159096315.db2.gz APNUQRPQXYHZHQ-RRFJBIMHSA-N 0 0 312.410 0.502 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N3CC(n4ccnn4)C3)s2)cn1 ZINC000329585892 159105025 /nfs/dbraw/zinc/10/50/25/159105025.db2.gz YGDLPSMCRGTZKU-UHFFFAOYSA-N 0 0 315.362 0.832 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329591904 159105508 /nfs/dbraw/zinc/10/55/08/159105508.db2.gz ZBWKSZAWWIRWQK-GFCCVEGCSA-N 0 0 324.468 0.520 10 0 DCAERN COCCN(C(=O)c1cnn2ccncc12)[C@@H]1CCO[C@H]1C ZINC000329631709 159108028 /nfs/dbraw/zinc/10/80/28/159108028.db2.gz IINWYNKUKVMPHU-WCQYABFASA-N 0 0 304.350 0.995 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCOC[C@@H]2C2CC2)nn1 ZINC000329644148 159108239 /nfs/dbraw/zinc/10/82/39/159108239.db2.gz JBMBHISOVNHXSI-MGPQQGTHSA-N 0 0 322.365 0.115 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@@H](C)[C@H]2C)nn1 ZINC000329663009 159109809 /nfs/dbraw/zinc/10/98/09/159109809.db2.gz PRJHFOYJNFXUSI-LYIQGSDWSA-N 0 0 310.354 0.114 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000329679694 159112387 /nfs/dbraw/zinc/11/23/87/159112387.db2.gz XNKSUDLKRLJVQJ-FPQZTECRSA-N 0 0 310.354 0.114 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)COC[C@H]3CCOC3)CCO2)[nH]1 ZINC000329730005 159115391 /nfs/dbraw/zinc/11/53/91/159115391.db2.gz HUPPBSBSCPIGDI-NWDGAFQWSA-N 0 0 324.381 0.320 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](n3cccn3)C2)O1 ZINC000329757044 159117111 /nfs/dbraw/zinc/11/71/11/159117111.db2.gz ZCDGSYXLOIMKRA-XQQFMLRXSA-N 0 0 306.366 0.292 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000329825860 159121762 /nfs/dbraw/zinc/12/17/62/159121762.db2.gz CCAMERFEAQRVRE-JSGCOSHPSA-N 0 0 310.394 0.794 10 0 DCAERN O=S(=O)(N1CC[C@H](Oc2ccncc2)C1)N1CCOCC1 ZINC000329889467 159126863 /nfs/dbraw/zinc/12/68/63/159126863.db2.gz DPECBHHZVVRVPV-ZDUSSCGKSA-N 0 0 313.379 0.112 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@]2(OC)CCOC2)C[C@H]1N1CCOCC1 ZINC000329943983 159129999 /nfs/dbraw/zinc/12/99/99/159129999.db2.gz WNPACCLBUCXBBY-FMKPAKJESA-N 0 0 312.410 0.361 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC000329941799 159130162 /nfs/dbraw/zinc/13/01/62/159130162.db2.gz VHFPAPSALLZYAR-NWDGAFQWSA-N 0 0 308.338 0.145 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1N1CCOCC1 ZINC000330092104 159141048 /nfs/dbraw/zinc/14/10/48/159141048.db2.gz QMZRORHYWXINRG-IUODEOHRSA-N 0 0 315.377 0.522 10 0 DCAERN O=C(CCC(=O)N1CCO[C@@H](C2CC2)C1)N1CCC(O)CC1 ZINC000330173705 159147968 /nfs/dbraw/zinc/14/79/68/159147968.db2.gz HOAOAHGZKUCDNK-CQSZACIVSA-N 0 0 310.394 0.387 10 0 DCAERN CC(C)n1cnnc1CN(C)S(=O)(=O)[C@H]1CCCOC1 ZINC000330230937 159152510 /nfs/dbraw/zinc/15/25/10/159152510.db2.gz WSPHDZDIZPDVJQ-NSHDSACASA-N 0 0 302.400 0.800 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000330320946 159159992 /nfs/dbraw/zinc/15/99/92/159159992.db2.gz RYVIJROJSCFBGZ-CMPLNLGQSA-N 0 0 303.366 0.757 10 0 DCAERN CC(=O)CCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000330386130 159166556 /nfs/dbraw/zinc/16/65/56/159166556.db2.gz UOUKNXQTEGDDPU-CQSZACIVSA-N 0 0 323.437 0.947 10 0 DCAERN O=C(NCC[C@H](O)C(F)(F)F)[C@@H]1CCCCS1(=O)=O ZINC000330382399 159167276 /nfs/dbraw/zinc/16/72/76/159167276.db2.gz IZYAHZFLIWVYRG-YUMQZZPRSA-N 0 0 303.302 0.383 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332721467 159210722 /nfs/dbraw/zinc/21/07/22/159210722.db2.gz MWODBEMJXSFGDL-QWRGUYRKSA-N 0 0 308.382 0.108 10 0 DCAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)CCC2 ZINC000332735870 159211425 /nfs/dbraw/zinc/21/14/25/159211425.db2.gz WEVRBFZKEHTHJD-QWHCGFSZSA-N 0 0 319.409 0.941 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000332780107 159213789 /nfs/dbraw/zinc/21/37/89/159213789.db2.gz UIFCDRHVUHBTPV-YJNKXOJESA-N 0 0 311.426 0.916 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCSC[C@@H]2C)n1 ZINC000359250841 159256190 /nfs/dbraw/zinc/25/61/90/159256190.db2.gz WTBPEEHHGKZJKC-NSHDSACASA-N 0 0 323.418 0.713 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC000365484936 159278741 /nfs/dbraw/zinc/27/87/41/159278741.db2.gz NBXVLJHZVICGSC-FRRDWIJNSA-N 0 0 318.439 0.588 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)O1 ZINC000366895294 159295536 /nfs/dbraw/zinc/29/55/36/159295536.db2.gz KCTLHXMMYIWMJO-XGFWRYKXSA-N 0 0 310.394 0.561 10 0 DCAERN CN(CCCO)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367037491 159307856 /nfs/dbraw/zinc/30/78/56/159307856.db2.gz SUBALXDBSZYTEV-LLVKDONJSA-N 0 0 302.371 0.463 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000367083944 159310912 /nfs/dbraw/zinc/31/09/12/159310912.db2.gz JZVXBEWDZHFGMI-CABCVRRESA-N 0 0 302.378 0.565 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3COC[C@H]32)cs1 ZINC000367112294 159313811 /nfs/dbraw/zinc/31/38/11/159313811.db2.gz GABZSGUGEBBPHP-WCBMZHEXSA-N 0 0 316.404 0.647 10 0 DCAERN CC(=O)CSCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000367120732 159314520 /nfs/dbraw/zinc/31/45/20/159314520.db2.gz HWJSHSQXSACSJO-OCCSQVGLSA-N 0 0 315.435 0.993 10 0 DCAERN COCCS(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000367230995 159323142 /nfs/dbraw/zinc/32/31/42/159323142.db2.gz LRQGPIAJCBSMPI-RYUDHWBXSA-N 0 0 307.412 0.120 10 0 DCAERN COCCOCCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367239154 159323837 /nfs/dbraw/zinc/32/38/37/159323837.db2.gz SIRCOCYJMZJZAI-UKRRQHHQSA-N 0 0 315.410 0.723 10 0 DCAERN O=C(NCc1ccc(Cl)nc1)N1CCN2CCOC[C@H]2C1 ZINC000368483593 159396868 /nfs/dbraw/zinc/39/68/68/159396868.db2.gz TTXAPJZSZSFNQV-GFCCVEGCSA-N 0 0 310.785 0.961 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371869584 159591289 /nfs/dbraw/zinc/59/12/89/159591289.db2.gz IRKUJFCPVYKHAI-OAHLLOKOSA-N 0 0 317.389 0.545 10 0 DCAERN O=C(CC1CCCCC1)NCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374924251 159760432 /nfs/dbraw/zinc/76/04/32/159760432.db2.gz GFUQPIUFONSBFP-OAHLLOKOSA-N 0 0 323.437 0.616 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000375371205 159788086 /nfs/dbraw/zinc/78/80/86/159788086.db2.gz UCOCAYSFGNYXBZ-GFCCVEGCSA-N 0 0 305.382 0.348 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCCNC(=O)[C@@H]2C)NC1=O ZINC000375515615 159798435 /nfs/dbraw/zinc/79/84/35/159798435.db2.gz TWQSESOVSYGVQN-UWVGGRQHSA-N 0 0 317.345 0.757 10 0 DCAERN CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@@](O)(C(N)=O)C2)CCO1 ZINC000375752210 159815117 /nfs/dbraw/zinc/81/51/17/159815117.db2.gz AYDMOXATJSZJCS-WWGRRREGSA-N 0 0 312.410 0.667 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000375771980 159817631 /nfs/dbraw/zinc/81/76/31/159817631.db2.gz FWNOLHSTPZADSB-VBQJREDUSA-N 0 0 318.373 0.638 10 0 DCAERN Cn1nnc(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)n1 ZINC000376382205 159853829 /nfs/dbraw/zinc/85/38/29/159853829.db2.gz CMMZVRRGHFOWKV-LLVKDONJSA-N 0 0 304.358 0.380 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(C)(c2ccccc2F)C1 ZINC000376457810 159859258 /nfs/dbraw/zinc/85/92/58/159859258.db2.gz KFCUVTCVWKRONE-SNVBAGLBSA-N 0 0 314.382 0.863 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376566820 159865432 /nfs/dbraw/zinc/86/54/32/159865432.db2.gz XIGSEYALARBEKV-JHJVBQTASA-N 0 0 308.378 0.657 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000378217987 159971490 /nfs/dbraw/zinc/97/14/90/159971490.db2.gz PHMWMBYRCGPOMY-ZDUSSCGKSA-N 0 0 307.394 0.682 10 0 DCAERN C[S@@](=O)C1(CNC(=O)N[C@@H]2CCC(=O)NC2(C)C)CCC1 ZINC000407985586 160003354 /nfs/dbraw/zinc/00/33/54/160003354.db2.gz OWCQSDIJNONVTA-LADRHHBVSA-N 0 0 315.439 0.644 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC000407990372 160004123 /nfs/dbraw/zinc/00/41/23/160004123.db2.gz NPTHZLROZAUJNL-WDEREUQCSA-N 0 0 310.354 0.257 10 0 DCAERN C[C@@H]1C[NH+](CC2CCN(C(=O)CNC(N)=O)CC2)C[C@@H](C)O1 ZINC000407988970 160004210 /nfs/dbraw/zinc/00/42/10/160004210.db2.gz IQWDATCCZVZSGI-VXGBXAGGSA-N 0 0 312.414 0.003 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCC(=O)NC3)ccc21 ZINC000407989641 160004683 /nfs/dbraw/zinc/00/46/83/160004683.db2.gz LGCIVYWJZJZEGC-ZDUSSCGKSA-N 0 0 301.346 0.604 10 0 DCAERN CN(C)c1noc([C@@H]2CCCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC000407990365 160004852 /nfs/dbraw/zinc/00/48/52/160004852.db2.gz NPTHZLROZAUJNL-GHMZBOCLSA-N 0 0 310.354 0.257 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)c2coc(C3CCCC3)n2)C1 ZINC000407993604 160004957 /nfs/dbraw/zinc/00/49/57/160004957.db2.gz ZIGPOKFLCMAXIS-JTQLQIEISA-N 0 0 313.379 0.835 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1cn2c(n1)CCCC2 ZINC000407994048 160005965 /nfs/dbraw/zinc/00/59/65/160005965.db2.gz YVPKSZBTXZUHIW-GFCCVEGCSA-N 0 0 308.407 0.757 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)[C@@H](C)CO1 ZINC000408002758 160007731 /nfs/dbraw/zinc/00/77/31/160007731.db2.gz HJTPWIIDDMONQS-DJLDLDEBSA-N 0 0 320.333 0.243 10 0 DCAERN C[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)N1CCOCC1 ZINC000408003464 160008100 /nfs/dbraw/zinc/00/81/00/160008100.db2.gz XMQWZIQOKCTTJK-CQSZACIVSA-N 0 0 323.437 0.568 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000408008854 160009498 /nfs/dbraw/zinc/00/94/98/160009498.db2.gz GJEKWIJZQSLREZ-HZSPNIEDSA-N 0 0 320.455 0.588 10 0 DCAERN O=C(C1CCC1)N1CSC[C@H]1C(=O)N1CC[C@@H](CCO)C1 ZINC000408008777 160009702 /nfs/dbraw/zinc/00/97/02/160009702.db2.gz GAIFQOJRURXEBB-AAEUAGOBSA-N 0 0 312.435 0.919 10 0 DCAERN Cc1c(CCC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cnn1C ZINC000408011557 160010377 /nfs/dbraw/zinc/01/03/77/160010377.db2.gz XTYOGESTIBLRCN-MRXNPFEDSA-N 0 0 304.394 0.790 10 0 DCAERN O=C(c1nccn2ccnc12)N1CC[C@H](N2CCOCC2)C1 ZINC000408015341 160010950 /nfs/dbraw/zinc/01/09/50/160010950.db2.gz BGYJLECJWLZMJF-LBPRGKRZSA-N 0 0 301.350 0.276 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000408014342 160011265 /nfs/dbraw/zinc/01/12/65/160011265.db2.gz MNEMYAJCQSYLEJ-JQWIXIFHSA-N 0 0 300.366 0.865 10 0 DCAERN C[C@H](O)[C@@H]1CCCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015243 160011458 /nfs/dbraw/zinc/01/14/58/160011458.db2.gz ANJZONDWPLHEOH-TUAOUCFPSA-N 0 0 304.412 0.461 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@H]21 ZINC000408016049 160011742 /nfs/dbraw/zinc/01/17/42/160011742.db2.gz HIHBBNGYAIKJIO-NEPJUHHUSA-N 0 0 312.414 0.016 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016051 160012346 /nfs/dbraw/zinc/01/23/46/160012346.db2.gz HIHBBNGYAIKJIO-RYUDHWBXSA-N 0 0 312.414 0.016 10 0 DCAERN CCC1(NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000408023373 160014708 /nfs/dbraw/zinc/01/47/08/160014708.db2.gz RAVGHPWZLWJVSX-TXEJJXNPSA-N 0 0 306.428 0.889 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000408026251 160015145 /nfs/dbraw/zinc/01/51/45/160015145.db2.gz DAGWTHOXKPXVRV-AXFHLTTASA-N 0 0 306.384 0.026 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000408029339 160015541 /nfs/dbraw/zinc/01/55/41/160015541.db2.gz HWWLDHXEABJZRC-OAHLLOKOSA-N 0 0 305.378 0.371 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000408029332 160015716 /nfs/dbraw/zinc/01/57/16/160015716.db2.gz SZCSKJOEFVDCPR-XKGSQUFQSA-N 0 0 304.412 0.819 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000408036940 160018296 /nfs/dbraw/zinc/01/82/96/160018296.db2.gz XGYWZUXDMXWUQY-CJNGLKHVSA-N 0 0 322.409 0.694 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1COCCN1C)CC2 ZINC000408038322 160019475 /nfs/dbraw/zinc/01/94/75/160019475.db2.gz KAQWDFUUDJVCAR-MGPQQGTHSA-N 0 0 312.410 0.096 10 0 DCAERN CC(C)N(C)C(=O)CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408046240 160022052 /nfs/dbraw/zinc/02/20/52/160022052.db2.gz VTLFARNGKPGFCI-OLZOCXBDSA-N 0 0 315.389 0.124 10 0 DCAERN Cc1ccc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000408050645 160023570 /nfs/dbraw/zinc/02/35/70/160023570.db2.gz FBVFHHCCGFBBGI-KGLIPLIRSA-N 0 0 321.352 0.801 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1C(N)=O ZINC000408052373 160024460 /nfs/dbraw/zinc/02/44/60/160024460.db2.gz BGVPAAYTEUHXME-GHMZBOCLSA-N 0 0 303.366 0.270 10 0 DCAERN O=C(Cc1ccco1)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408055222 160025091 /nfs/dbraw/zinc/02/50/91/160025091.db2.gz XAZYAGCLPAKFOE-YPMHNXCESA-N 0 0 310.325 0.620 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C)cc(=O)[nH]2)n1 ZINC000408055840 160025358 /nfs/dbraw/zinc/02/53/58/160025358.db2.gz BEQHTJNZYBBSGE-MWLCHTKSSA-N 0 0 304.306 0.735 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408071962 160029024 /nfs/dbraw/zinc/02/90/24/160029024.db2.gz DSJOFSDIUYLPMX-VIFPVBQESA-N 0 0 303.318 0.355 10 0 DCAERN CNS(=O)(=O)N1CCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC000408074575 160030053 /nfs/dbraw/zinc/03/00/53/160030053.db2.gz WWKAAQKCRNECBF-NSHDSACASA-N 0 0 305.444 0.667 10 0 DCAERN CCOC(=O)C1(C(=O)N2CC(=O)N(C)[C@H](C)C2)CCOCC1 ZINC000408079945 160030809 /nfs/dbraw/zinc/03/08/09/160030809.db2.gz LTMUSTWZKJDMBR-LLVKDONJSA-N 0 0 312.366 0.035 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000408079848 160031161 /nfs/dbraw/zinc/03/11/61/160031161.db2.gz KVIUKJNMYUMTFP-OAHLLOKOSA-N 0 0 310.394 0.653 10 0 DCAERN C[C@@H]1C[C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000408083734 160031480 /nfs/dbraw/zinc/03/14/80/160031480.db2.gz KVUWDVOOTCYYDQ-FVCCEPFGSA-N 0 0 306.428 0.745 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000408080116 160031664 /nfs/dbraw/zinc/03/16/64/160031664.db2.gz BINQCVYZIVYNLS-RYUDHWBXSA-N 0 0 323.393 0.613 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@H](C)C2)CCO1 ZINC000408086630 160032318 /nfs/dbraw/zinc/03/23/18/160032318.db2.gz KNDNNCAKIGJFKY-UTUOFQBUSA-N 0 0 300.355 0.385 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)oc1C ZINC000408090920 160033161 /nfs/dbraw/zinc/03/31/61/160033161.db2.gz TUVSIUJSRMTBDU-KWQFWETISA-N 0 0 317.363 0.766 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CO)nc1C ZINC000408091196 160033182 /nfs/dbraw/zinc/03/31/82/160033182.db2.gz UCPSZWPIFSUKQP-JQWIXIFHSA-N 0 0 301.412 0.993 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c(C)o1 ZINC000408089975 160033400 /nfs/dbraw/zinc/03/34/00/160033400.db2.gz PGXRANWMRQMDFO-WCBMZHEXSA-N 0 0 317.363 0.766 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)C(=O)N1CCOCC1 ZINC000408091402 160033455 /nfs/dbraw/zinc/03/34/55/160033455.db2.gz HLJDNMYYJFRWBP-AGIUHOORSA-N 0 0 313.398 0.036 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)C(=O)N1CCOCC1 ZINC000408091405 160033583 /nfs/dbraw/zinc/03/35/83/160033583.db2.gz HLJDNMYYJFRWBP-AVGNSLFASA-N 0 0 313.398 0.036 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](C)[C@@H](O)C2)C1=O ZINC000408094678 160034008 /nfs/dbraw/zinc/03/40/08/160034008.db2.gz TXAHJYUUHMCGDI-MNOVXSKESA-N 0 0 311.382 0.326 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408094289 160034246 /nfs/dbraw/zinc/03/42/46/160034246.db2.gz RWRTVACNICCDLV-CBAPKCEASA-N 0 0 318.420 0.547 10 0 DCAERN C[C@@H]1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc32)C[C@H]1O ZINC000408092595 160034360 /nfs/dbraw/zinc/03/43/60/160034360.db2.gz LJIUNMCREFIWLE-IAQYHMDHSA-N 0 0 315.373 0.705 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCN(C(C)=O)CC1(C)C ZINC000408099559 160035680 /nfs/dbraw/zinc/03/56/80/160035680.db2.gz MGZVCMYHQQZHNF-UHFFFAOYSA-N 0 0 314.411 0.534 10 0 DCAERN CC(C)[C@H](O)C1(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000408104608 160036312 /nfs/dbraw/zinc/03/63/12/160036312.db2.gz FWWCDCBPCWOBAR-XQQFMLRXSA-N 0 0 320.455 0.727 10 0 DCAERN C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cn2)CC[S@]1=O ZINC000408109766 160037778 /nfs/dbraw/zinc/03/77/78/160037778.db2.gz HRLNGHUSYIZDDY-MLCYQJTMSA-N 0 0 302.421 0.832 10 0 DCAERN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cn2)CCS(=O)(=O)C1 ZINC000408109368 160037870 /nfs/dbraw/zinc/03/78/70/160037870.db2.gz FIPHSELZYINPLM-SNVBAGLBSA-N 0 0 318.420 0.356 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408113198 160038450 /nfs/dbraw/zinc/03/84/50/160038450.db2.gz QUNVUVKAMYIZBL-UPJWGTAASA-N 0 0 307.394 0.324 10 0 DCAERN C[C@H]1CN(CC(=O)NC2CCCCC2)CCN1S(C)(=O)=O ZINC000408119960 160040054 /nfs/dbraw/zinc/04/00/54/160040054.db2.gz BMCSLZUWDMTVSF-LBPRGKRZSA-N 0 0 317.455 0.401 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000408127524 160042978 /nfs/dbraw/zinc/04/29/78/160042978.db2.gz FMZZDEGIPSBFFQ-GFCCVEGCSA-N 0 0 318.377 0.464 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)nn1C ZINC000408129886 160043418 /nfs/dbraw/zinc/04/34/18/160043418.db2.gz BXULXNGPMXKATE-CYBMUJFWSA-N 0 0 322.434 0.909 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)c1=O ZINC000408133384 160044174 /nfs/dbraw/zinc/04/41/74/160044174.db2.gz NWFJKKOKXCJLGI-INIZCTEOSA-N 0 0 316.361 0.805 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408132417 160044365 /nfs/dbraw/zinc/04/43/65/160044365.db2.gz JSLKQCOLIRTPFN-CHWSQXEVSA-N 0 0 317.455 0.954 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)N2CC(=O)N(C)C2)C1=O ZINC000408135128 160044830 /nfs/dbraw/zinc/04/48/30/160044830.db2.gz WKBDBXYCUDNKNV-SNVBAGLBSA-N 0 0 303.318 0.059 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408160737 160050079 /nfs/dbraw/zinc/05/00/79/160050079.db2.gz XEGWVKANOQRNES-SDDRHHMPSA-N 0 0 304.412 0.342 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000408166272 160051007 /nfs/dbraw/zinc/05/10/07/160051007.db2.gz XNGLZPXARBXDEI-TZMCWYRMSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCCC[C@H]1C)N1CCOCC1 ZINC000408171168 160052751 /nfs/dbraw/zinc/05/27/51/160052751.db2.gz YDQJCHJRZVSAEE-OLZOCXBDSA-N 0 0 305.444 0.416 10 0 DCAERN CC(C)(C)[C@H](O)CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000408172009 160052786 /nfs/dbraw/zinc/05/27/86/160052786.db2.gz QNFVYOQABCKHEP-WDEREUQCSA-N 0 0 321.443 0.117 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CSCN2C(C)=O)C[C@@H]1C ZINC000408183898 160054127 /nfs/dbraw/zinc/05/41/27/160054127.db2.gz URUHLLYUKLMQSC-WCQYABFASA-N 0 0 315.439 0.087 10 0 DCAERN Cc1ccc2oc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2n1 ZINC000408182499 160054664 /nfs/dbraw/zinc/05/46/64/160054664.db2.gz KEGQPIRAAOCMPL-SNVBAGLBSA-N 0 0 323.374 0.900 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cnns2)C1 ZINC000408179922 160054698 /nfs/dbraw/zinc/05/46/98/160054698.db2.gz KLARXIXMBDRJFD-QMMMGPOBSA-N 0 0 304.397 0.080 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000408185029 160055504 /nfs/dbraw/zinc/05/55/04/160055504.db2.gz GVDSWEQQSNGQRS-UHFFFAOYSA-N 0 0 321.402 0.944 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000408187506 160055543 /nfs/dbraw/zinc/05/55/43/160055543.db2.gz ODGIWNIZVADLET-GDPRMGEGSA-N 0 0 315.416 0.995 10 0 DCAERN Cn1c(=O)oc2c1cccc2C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408189508 160056230 /nfs/dbraw/zinc/05/62/30/160056230.db2.gz XEZNCCGMXXXDKS-UFGOTCBOSA-N 0 0 302.330 0.974 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1C ZINC000408204036 160059485 /nfs/dbraw/zinc/05/94/85/160059485.db2.gz SQXHKDHPXKQJHD-NXEZZACHSA-N 0 0 314.411 0.618 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ncccc3F)CC2)CC(=O)N1 ZINC000408202177 160059487 /nfs/dbraw/zinc/05/94/87/160059487.db2.gz LMGSNWSHETWNCU-NWDGAFQWSA-N 0 0 320.368 0.784 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408207876 160060227 /nfs/dbraw/zinc/06/02/27/160060227.db2.gz UTRNQRSWSBCSRJ-UHFFFAOYSA-N 0 0 303.428 0.612 10 0 DCAERN C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[S@@]1=O ZINC000408211878 160061562 /nfs/dbraw/zinc/06/15/62/160061562.db2.gz RQXADTCZWCJWDR-FIKIJFGZSA-N 0 0 305.403 0.886 10 0 DCAERN CCc1ocnc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408212643 160061669 /nfs/dbraw/zinc/06/16/69/160061669.db2.gz YEIZOIUFEHCYJA-GFCCVEGCSA-N 0 0 321.377 0.948 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(O)C1 ZINC000408219999 160063254 /nfs/dbraw/zinc/06/32/54/160063254.db2.gz RXJOUFRTEBSLJE-HTAVTVPLSA-N 0 0 304.412 0.172 10 0 DCAERN Cc1nc2c(cnn2C)c(N(C)C[C@H]2CCS(=O)(=O)C2)n1 ZINC000408220787 160063279 /nfs/dbraw/zinc/06/32/79/160063279.db2.gz ZOABVHFJWSROEB-SNVBAGLBSA-N 0 0 309.395 0.543 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)CN3CCN(C)C(=O)C3)C2)c1 ZINC000408229264 160064344 /nfs/dbraw/zinc/06/43/44/160064344.db2.gz OYRQZVYKUSGBQM-CQSZACIVSA-N 0 0 319.409 0.129 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@@H]3COCCO3)CC2)s1 ZINC000408232336 160065236 /nfs/dbraw/zinc/06/52/36/160065236.db2.gz NONFRTWWXIHNSN-LBPRGKRZSA-N 0 0 311.407 0.770 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CCC(C)CC2)CC1=O ZINC000408239146 160066995 /nfs/dbraw/zinc/06/69/95/160066995.db2.gz VRVCXLGYSYKQTR-UPJWGTAASA-N 0 0 315.439 0.562 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408245816 160068434 /nfs/dbraw/zinc/06/84/34/160068434.db2.gz YAPJDFJGLBDLAS-VXGBXAGGSA-N 0 0 304.412 0.488 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408244448 160068603 /nfs/dbraw/zinc/06/86/03/160068603.db2.gz DEAQVMCDMWUMIW-ZENOOKHLSA-N 0 0 310.394 0.699 10 0 DCAERN C[C@@H](Cn1cccn1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252429 160069973 /nfs/dbraw/zinc/06/99/73/160069973.db2.gz QJZMNYQRMLEPRL-WFASDCNBSA-N 0 0 305.382 0.583 10 0 DCAERN C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000408253422 160070121 /nfs/dbraw/zinc/07/01/21/160070121.db2.gz HALCJTFYKFOZGN-QWHCGFSZSA-N 0 0 307.398 0.819 10 0 DCAERN CNC(=O)N[C@@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000408256104 160070569 /nfs/dbraw/zinc/07/05/69/160070569.db2.gz KGRSMRLQOZEQNE-RKDXNWHRSA-N 0 0 308.304 0.153 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000408266734 160072998 /nfs/dbraw/zinc/07/29/98/160072998.db2.gz RZHFRSKUGFBUJE-MRVPVSSYSA-N 0 0 318.420 0.547 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCO[C@]2(CCOC2)C1 ZINC000408273734 160073221 /nfs/dbraw/zinc/07/32/21/160073221.db2.gz FUDIWEKEPDOESK-SWLSCSKDSA-N 0 0 306.366 0.468 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000408272537 160073409 /nfs/dbraw/zinc/07/34/09/160073409.db2.gz FLIXVHHJRFBZPD-OAHLLOKOSA-N 0 0 323.324 0.948 10 0 DCAERN CNC(=O)N1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)CC1 ZINC000408275728 160074620 /nfs/dbraw/zinc/07/46/20/160074620.db2.gz BGJYEFKVKNXHCR-UHFFFAOYSA-N 0 0 321.366 0.025 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[C@@H](CO)O1 ZINC000408276547 160074646 /nfs/dbraw/zinc/07/46/46/160074646.db2.gz JXNQDMDHNGVHHN-ONGXEEELSA-N 0 0 321.333 0.631 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cnn1C ZINC000408279327 160075253 /nfs/dbraw/zinc/07/52/53/160075253.db2.gz ZANINKHPRWXKSB-PTRXPTGYSA-N 0 0 309.370 0.074 10 0 DCAERN O=C(C1=CCOCC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408280360 160075276 /nfs/dbraw/zinc/07/52/76/160075276.db2.gz HJBIANRLEWKHTG-AWEZNQCLSA-N 0 0 308.378 0.431 10 0 DCAERN O=C(C1CCC(O)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408284282 160075660 /nfs/dbraw/zinc/07/56/60/160075660.db2.gz WCDSDAXTXYXHCC-SLTAFYQDSA-N 0 0 324.421 0.635 10 0 DCAERN CCc1c(C(=O)N2CCO[C@@]3(CCOC3)C2)[nH]c(C)c1C(N)=O ZINC000408281773 160075796 /nfs/dbraw/zinc/07/57/96/160075796.db2.gz WUEXIYVSUFMRQO-INIZCTEOSA-N 0 0 321.377 0.616 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3C[C@@H](C)O[C@@H](CO)C3)cnc2n1 ZINC000408283573 160075882 /nfs/dbraw/zinc/07/58/82/160075882.db2.gz MBEWZCYQSVYRFS-GHMZBOCLSA-N 0 0 317.345 0.866 10 0 DCAERN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C)C[C@@H]1C ZINC000408287524 160076639 /nfs/dbraw/zinc/07/66/39/160076639.db2.gz RMHOLTXPZJCOJH-XJKSGUPXSA-N 0 0 307.394 0.070 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@]1(O)CCSC1 ZINC000408305278 160080574 /nfs/dbraw/zinc/08/05/74/160080574.db2.gz ITJOWWQLRDUXOT-BXUZGUMPSA-N 0 0 300.424 0.618 10 0 DCAERN COc1cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)ncn1 ZINC000408306638 160081544 /nfs/dbraw/zinc/08/15/44/160081544.db2.gz AYXMUNNNLKXHQW-LBPRGKRZSA-N 0 0 306.366 0.560 10 0 DCAERN CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408313956 160083057 /nfs/dbraw/zinc/08/30/57/160083057.db2.gz ORPAPESHGQULLQ-QWHCGFSZSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C ZINC000408318479 160083889 /nfs/dbraw/zinc/08/38/89/160083889.db2.gz ZMHIEUUTYPWWHZ-DTWKUNHWSA-N 0 0 304.334 0.265 10 0 DCAERN CC(C)CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408320642 160083975 /nfs/dbraw/zinc/08/39/75/160083975.db2.gz LXUHYDMIEPNGSX-UHFFFAOYSA-N 0 0 312.457 0.233 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@H](C(=O)OC)[C@@H](C)C2)CC(=O)N1 ZINC000408323515 160084530 /nfs/dbraw/zinc/08/45/30/160084530.db2.gz ZFBUNMVDKYQFFB-RVMXOQNASA-N 0 0 310.394 0.949 10 0 DCAERN CC(C)n1ccc(C(=O)N2CCc3c(ncn(C)c3=O)C2)n1 ZINC000408324087 160085534 /nfs/dbraw/zinc/08/55/34/160085534.db2.gz HRXVRLJPQWKYPC-UHFFFAOYSA-N 0 0 301.350 0.756 10 0 DCAERN CSc1c(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1C ZINC000408329490 160086067 /nfs/dbraw/zinc/08/60/67/160086067.db2.gz JMBZIVFBSLLFNN-MRVPVSSYSA-N 0 0 303.409 0.401 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000408333845 160086938 /nfs/dbraw/zinc/08/69/38/160086938.db2.gz IYDYXTSFOJJVPK-RYUDHWBXSA-N 0 0 319.423 0.895 10 0 DCAERN O=S(=O)(NC1CCCC1)C1CN(C[C@H](O)C(F)(F)F)C1 ZINC000408332089 160087001 /nfs/dbraw/zinc/08/70/01/160087001.db2.gz QDXSWVBPDILMAI-JTQLQIEISA-N 0 0 316.345 0.456 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)[S@@](C)=O ZINC000408338031 160087607 /nfs/dbraw/zinc/08/76/07/160087607.db2.gz IMADSLVRZBSOIQ-GOXNLZCHSA-N 0 0 310.485 0.956 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408343136 160088141 /nfs/dbraw/zinc/08/81/41/160088141.db2.gz NNIPZVFWTRBAEO-GLCJVEFJSA-N 0 0 318.464 0.666 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCSC2)C1=O ZINC000408342748 160088380 /nfs/dbraw/zinc/08/83/80/160088380.db2.gz ZMFCPSUCONAJBD-WDEREUQCSA-N 0 0 308.407 0.785 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408349497 160089733 /nfs/dbraw/zinc/08/97/33/160089733.db2.gz QIHQVWSRWIFNBY-CYBMUJFWSA-N 0 0 324.425 0.509 10 0 DCAERN CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)CC1 ZINC000408354176 160090866 /nfs/dbraw/zinc/09/08/66/160090866.db2.gz IJEJCNPLTUSGQJ-AWEZNQCLSA-N 0 0 324.425 0.461 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000408354473 160090945 /nfs/dbraw/zinc/09/09/45/160090945.db2.gz HVWIYHWOBMZTFG-NWDGAFQWSA-N 0 0 310.398 0.260 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1OC ZINC000408358347 160091672 /nfs/dbraw/zinc/09/16/72/160091672.db2.gz ODBZUMZNRRWZIC-BFHYXJOUSA-N 0 0 310.394 0.507 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CCCNC1=O ZINC000408371091 160093643 /nfs/dbraw/zinc/09/36/43/160093643.db2.gz UYULVPBDQCIIGZ-NEPJUHHUSA-N 0 0 308.300 0.819 10 0 DCAERN CC(=O)N[C@H](CC1CCC1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408369557 160093844 /nfs/dbraw/zinc/09/38/44/160093844.db2.gz YSSKRFCEGOEALK-GXFFZTMASA-N 0 0 316.423 0.327 10 0 DCAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@H](CO)C1 ZINC000408374602 160094404 /nfs/dbraw/zinc/09/44/04/160094404.db2.gz PLWDAOGCSBDJRO-JTQLQIEISA-N 0 0 309.366 0.621 10 0 DCAERN Cc1nnc([C@H](C)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000408381786 160096222 /nfs/dbraw/zinc/09/62/22/160096222.db2.gz ODHPRKMIYZNJLE-LSJOCFKGSA-N 0 0 302.400 0.889 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000408383322 160096792 /nfs/dbraw/zinc/09/67/92/160096792.db2.gz VWJXCNOHKDNVDW-VXGBXAGGSA-N 0 0 322.409 0.450 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2CC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000408390171 160098147 /nfs/dbraw/zinc/09/81/47/160098147.db2.gz RNBRXGJDZTUEMW-UZGDPCLZSA-N 0 0 322.409 0.990 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000408393973 160099334 /nfs/dbraw/zinc/09/93/34/160099334.db2.gz LSTSYKZINJRXJN-PWSUYJOCSA-N 0 0 320.455 0.570 10 0 DCAERN COCn1nc(C)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)c1C ZINC000408395919 160099868 /nfs/dbraw/zinc/09/98/68/160099868.db2.gz OASRHIVSQUOEIN-SKDRFNHKSA-N 0 0 317.411 0.495 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCCC[C@H]1C(=O)NC ZINC000408398495 160100660 /nfs/dbraw/zinc/10/06/60/160100660.db2.gz WWNQWDJUNSASPO-JTQLQIEISA-N 0 0 300.384 0.192 10 0 DCAERN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000408406040 160102158 /nfs/dbraw/zinc/10/21/58/160102158.db2.gz GKQOMTGVJVZCEV-JTQLQIEISA-N 0 0 306.432 0.259 10 0 DCAERN CC1(C)Cc2ccc(C(=O)N3CCO[C@H](CO)C3)c(O)c2O1 ZINC000408410524 160102974 /nfs/dbraw/zinc/10/29/74/160102974.db2.gz SUIRAFBIEWZPSO-NSHDSACASA-N 0 0 307.346 0.939 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000408418129 160104306 /nfs/dbraw/zinc/10/43/06/160104306.db2.gz UWSGPUFQBKXWHB-WVDJIFEKSA-N 0 0 301.412 0.208 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@H](C)[C@@H]3CO)cnc12 ZINC000408427016 160105857 /nfs/dbraw/zinc/10/58/57/160105857.db2.gz MGWKEVTVBWQWOI-GWCFXTLKSA-N 0 0 301.346 0.846 10 0 DCAERN CN(C)C(=O)CC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000408430354 160106849 /nfs/dbraw/zinc/10/68/49/160106849.db2.gz SPIPSQNBPSCGCM-CYBMUJFWSA-N 0 0 309.410 0.905 10 0 DCAERN NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCc3ccccc3C2)C1 ZINC000408443510 160109088 /nfs/dbraw/zinc/10/90/88/160109088.db2.gz OFQGXLHEWOJTIY-UONOGXRCSA-N 0 0 323.418 0.616 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C[C@H]1O ZINC000408446374 160109207 /nfs/dbraw/zinc/10/92/07/160109207.db2.gz KLBGHRRLBMNCSH-HZSPNIEDSA-N 0 0 321.425 0.801 10 0 DCAERN CC(C)(C)[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1 ZINC000408453369 160111694 /nfs/dbraw/zinc/11/16/94/160111694.db2.gz UCIIAZAPMMEKPD-STQMWFEESA-N 0 0 311.426 0.457 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC(=O)N1 ZINC000408465248 160114372 /nfs/dbraw/zinc/11/43/72/160114372.db2.gz JVQJAQXMHZHNFK-JOYOIKCWSA-N 0 0 319.386 0.836 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000408471476 160115155 /nfs/dbraw/zinc/11/51/55/160115155.db2.gz SMHPFJRSDXRLNK-SCRDCRAPSA-N 0 0 310.394 0.386 10 0 DCAERN Cc1nn(CC(=O)N2CCO[C@H]([C@@H](C)O)C2)c(C)c1Cl ZINC000408470001 160115359 /nfs/dbraw/zinc/11/53/59/160115359.db2.gz PXLLKHIMNQNMKT-MNOVXSKESA-N 0 0 301.774 0.762 10 0 DCAERN CC1CCC(CC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC000408469616 160115911 /nfs/dbraw/zinc/11/59/11/160115911.db2.gz SOXPAJAXJPAWJG-YIZWMMSDSA-N 0 0 303.424 0.869 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCCNC(=O)C1CC1)C(C)C ZINC000048168679 286889124 /nfs/dbraw/zinc/88/91/24/286889124.db2.gz NFDNHZYSVBGZJE-AWEZNQCLSA-N 0 0 311.426 0.816 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079420213 286924816 /nfs/dbraw/zinc/92/48/16/286924816.db2.gz LSTNSFFBFANUTI-JTQLQIEISA-N 0 0 316.361 0.958 10 0 DCAERN NC(=O)NCCC(=O)Nc1c[nH]cc(Br)c1=O ZINC000089990559 286933466 /nfs/dbraw/zinc/93/34/66/286933466.db2.gz STICUEDODJTBIQ-UHFFFAOYSA-N 0 0 303.116 0.134 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)NC[C@@](C)(O)CCC(C)C ZINC000081484928 286929158 /nfs/dbraw/zinc/92/91/58/286929158.db2.gz IMVMHTUNCUONJZ-AWEZNQCLSA-N 0 0 322.471 0.961 10 0 DCAERN COc1cccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)c1F ZINC000090601358 286935416 /nfs/dbraw/zinc/93/54/16/286935416.db2.gz FKJRBLUTVJBPBH-UHFFFAOYSA-N 0 0 307.281 0.484 10 0 DCAERN CCn1ccnc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000125072699 286965229 /nfs/dbraw/zinc/96/52/29/286965229.db2.gz HSECDPPJFVAVLD-UHFFFAOYSA-N 0 0 307.358 0.963 10 0 DCAERN Cn1nccc1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000125486353 286966758 /nfs/dbraw/zinc/96/67/58/286966758.db2.gz GTJSUMLYJXXGKF-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)N1CCSCC1 ZINC000131977369 287002949 /nfs/dbraw/zinc/00/29/49/287002949.db2.gz VYQLGCUYXPRBQH-QWHCGFSZSA-N 0 0 313.467 0.941 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000132218307 287004244 /nfs/dbraw/zinc/00/42/44/287004244.db2.gz BBZCSSFKRIQMJC-NWDGAFQWSA-N 0 0 308.382 0.994 10 0 DCAERN CSCc1cc(C(=O)NCCOCC(N)=O)ccc1F ZINC000131366054 287000020 /nfs/dbraw/zinc/00/00/20/287000020.db2.gz VYMZWYQKOLMRAK-UHFFFAOYSA-N 0 0 300.355 0.920 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)Cc1ccccc1 ZINC000133292170 287010103 /nfs/dbraw/zinc/01/01/03/287010103.db2.gz KPKGFVUIHSIGBC-CYBMUJFWSA-N 0 0 324.406 0.772 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCC(=O)NC1CCCCC1 ZINC000135535640 287022817 /nfs/dbraw/zinc/02/28/17/287022817.db2.gz PILTVJSDUSTCRI-WCQYABFASA-N 0 0 318.439 0.922 10 0 DCAERN CCc1cc(C)c(C(=O)NCCN2CCCS2(=O)=O)o1 ZINC000136207011 287025970 /nfs/dbraw/zinc/02/59/70/287025970.db2.gz WWDPQNKFAJDJCR-UHFFFAOYSA-N 0 0 300.380 0.916 10 0 DCAERN O=C(NCC1(CO)CCOCC1)c1cccc(-n2cncn2)c1 ZINC000151515135 287034130 /nfs/dbraw/zinc/03/41/30/287034130.db2.gz IHGWSSBPVWAJRI-UHFFFAOYSA-N 0 0 316.361 0.786 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000152510930 287041968 /nfs/dbraw/zinc/04/19/68/287041968.db2.gz QBWDNAIJDIDTLQ-QWHCGFSZSA-N 0 0 317.455 0.259 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000194740784 287062070 /nfs/dbraw/zinc/06/20/70/287062070.db2.gz HLQYCSGGDKFBCO-LBPRGKRZSA-N 0 0 300.362 0.607 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000245904837 287074178 /nfs/dbraw/zinc/07/41/78/287074178.db2.gz SWWZCOOIEQVFIF-KGLIPLIRSA-N 0 0 319.471 0.352 10 0 DCAERN C[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@H]1N1CCOCC1 ZINC000245932439 287074510 /nfs/dbraw/zinc/07/45/10/287074510.db2.gz JSOVNRFZWDYKSF-VXGBXAGGSA-N 0 0 311.455 0.757 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246208996 287079438 /nfs/dbraw/zinc/07/94/38/287079438.db2.gz PDZGEAHEERPWDW-BDAKNGLRSA-N 0 0 303.302 0.352 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000246287752 287080740 /nfs/dbraw/zinc/08/07/40/287080740.db2.gz VYQHGBZBEYQSOA-REWJHTLYSA-N 0 0 319.471 0.612 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)C1 ZINC000246388281 287082627 /nfs/dbraw/zinc/08/26/27/287082627.db2.gz JOUUINKVNUORER-UPJWGTAASA-N 0 0 317.455 0.688 10 0 DCAERN Cc1cc(NC(=O)CN2CC(=O)N[C@H]3CCCC[C@H]32)n(C)n1 ZINC000246499310 287084596 /nfs/dbraw/zinc/08/45/96/287084596.db2.gz HKLJDXKINJJSGF-NWDGAFQWSA-N 0 0 305.382 0.410 10 0 DCAERN COCCN1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C ZINC000246744781 287087543 /nfs/dbraw/zinc/08/75/43/287087543.db2.gz WXLNCARIDUZXOM-STQMWFEESA-N 0 0 324.425 0.112 10 0 DCAERN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC000246644949 287086288 /nfs/dbraw/zinc/08/62/88/287086288.db2.gz QCMNUKPIZLKKLS-YABSGUDNSA-N 0 0 303.366 0.832 10 0 DCAERN C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247029632 287090519 /nfs/dbraw/zinc/09/05/19/287090519.db2.gz IDEOBIIKEOCCFO-WCBMZHEXSA-N 0 0 300.384 0.632 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000248470659 287097842 /nfs/dbraw/zinc/09/78/42/287097842.db2.gz IDNWSZDKUJWGAD-QELGGQHGSA-N 0 0 312.457 0.039 10 0 DCAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC000248831378 287102065 /nfs/dbraw/zinc/10/20/65/287102065.db2.gz HMWVLNAIFCKXOW-ZJUUUORDSA-N 0 0 321.299 0.277 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000249518380 287112696 /nfs/dbraw/zinc/11/26/96/287112696.db2.gz KTWUJQGXBXRDBR-RNJOBUHISA-N 0 0 318.439 0.636 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)cs1 ZINC000249539785 287112965 /nfs/dbraw/zinc/11/29/65/287112965.db2.gz DORAZNNEPWAHNR-MWLCHTKSSA-N 0 0 310.423 0.517 10 0 DCAERN CN(CC(C)(CO)CO)C(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000357268530 287204981 /nfs/dbraw/zinc/20/49/81/287204981.db2.gz FFTCEGZMNBYCHT-UHFFFAOYSA-N 0 0 311.382 0.270 10 0 DCAERN O=C(CN1CCc2ccccc2C1=O)NC[C@H](CO)C1CC1 ZINC000358308484 287206597 /nfs/dbraw/zinc/20/65/97/287206597.db2.gz JFHCZAYRIZCRDA-CQSZACIVSA-N 0 0 302.374 0.820 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H](C)O1 ZINC000154578544 296889036 /nfs/dbraw/zinc/88/90/36/296889036.db2.gz KAKHRPLNIDAOPG-MXWKQRLJSA-N 0 0 306.428 0.586 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000408061446 287233108 /nfs/dbraw/zinc/23/31/08/287233108.db2.gz LCJAQTPZMQUJIE-SECBINFHSA-N 0 0 302.421 0.928 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCc3c(ncn(C)c3=O)C2)c1 ZINC000408060850 287233135 /nfs/dbraw/zinc/23/31/35/287233135.db2.gz UYNIPBZYCRTFSW-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000408355180 287233623 /nfs/dbraw/zinc/23/36/23/287233623.db2.gz LKTXEICOAAWZMB-UTUOFQBUSA-N 0 0 320.397 0.765 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(C)C ZINC000408354766 287233637 /nfs/dbraw/zinc/23/36/37/287233637.db2.gz NBMUODSCTBFCFL-LBPRGKRZSA-N 0 0 305.444 0.856 10 0 DCAERN Cc1nc(NC[C@@]2(CCO)CCOC2)sc1S(N)(=O)=O ZINC000516958161 412448045 /nfs/dbraw/zinc/44/80/45/412448045.db2.gz GYSFKSFFKITPEJ-LLVKDONJSA-N 0 0 321.424 0.300 10 0 DCAERN CS(=O)(=O)NCCCNc1cnc(Br)cn1 ZINC000380636614 685237363 /nfs/dbraw/zinc/23/73/63/685237363.db2.gz HMUMUAYKHOBVSD-UHFFFAOYSA-N 0 0 309.189 0.590 10 0 DCAERN c1c(CNc2ccnc(N3CCOCC3)n2)nc2ccccn12 ZINC000352390509 415157860 /nfs/dbraw/zinc/15/78/60/415157860.db2.gz CYJLTAHZQMOTBH-UHFFFAOYSA-N 0 0 310.361 1.573 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000269616517 415251109 /nfs/dbraw/zinc/25/11/09/415251109.db2.gz LSQWHJMCFZABMF-LLVKDONJSA-N 0 0 314.271 0.748 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H](c2ccccc2)CO1 ZINC000270954806 415258595 /nfs/dbraw/zinc/25/85/95/415258595.db2.gz YFDRSGPBUVNMMM-WXHSDQCUSA-N 0 0 317.345 0.573 10 0 DCAERN CCN1CCN(CC(=O)NCCc2ccsc2)C(=O)C1=O ZINC000046745317 415260185 /nfs/dbraw/zinc/26/01/85/415260185.db2.gz PDVFCUAMEVWODM-UHFFFAOYSA-N 0 0 309.391 0.098 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC(=O)CC2)[C@@H]1c1cccnc1 ZINC000272258790 415286860 /nfs/dbraw/zinc/28/68/60/415286860.db2.gz MMYAYMFLPTWKAE-ZFWWWQNUSA-N 0 0 301.346 0.793 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)CC2 ZINC000272434597 415287092 /nfs/dbraw/zinc/28/70/92/415287092.db2.gz OLUJAXMXXCLYGZ-LBPRGKRZSA-N 0 0 323.360 0.912 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000058081429 415337128 /nfs/dbraw/zinc/33/71/28/415337128.db2.gz HIIGSBPZENIXHE-NWDGAFQWSA-N 0 0 318.377 0.921 10 0 DCAERN COC(=O)CCN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000069195211 415397882 /nfs/dbraw/zinc/39/78/82/415397882.db2.gz YEDQRRPBGGNOPU-ZDUSSCGKSA-N 0 0 311.426 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC(=O)N1C ZINC000367115044 296902834 /nfs/dbraw/zinc/90/28/34/296902834.db2.gz VPAJRRFJWNYPKE-GPCCPHFNSA-N 0 0 311.407 0.130 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NCCCc1cccc(F)c1 ZINC000073512887 415424680 /nfs/dbraw/zinc/42/46/80/415424680.db2.gz XJJOESMNKZSIDF-UHFFFAOYSA-N 0 0 306.297 0.147 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1COCCO1 ZINC000067201439 415375006 /nfs/dbraw/zinc/37/50/06/415375006.db2.gz HJHFXXXHVKHPHM-ZIAGYGMSSA-N 0 0 306.362 0.218 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cn1 ZINC000074227911 415428988 /nfs/dbraw/zinc/42/89/88/415428988.db2.gz NLYDYXYKXJYQGN-UKRRQHHQSA-N 0 0 313.361 0.651 10 0 DCAERN Cc1ccc(F)c(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000275545951 415377755 /nfs/dbraw/zinc/37/77/55/415377755.db2.gz FTUPQCRBISWPJS-AWEZNQCLSA-N 0 0 309.385 0.752 10 0 DCAERN CCCn1c(=O)[nH]nc1S(=O)(=O)CCOCCC(C)C ZINC000067720533 415386977 /nfs/dbraw/zinc/38/69/77/415386977.db2.gz JDJXJGPQGBVVAA-UHFFFAOYSA-N 0 0 305.400 0.818 10 0 DCAERN CC(=O)CSCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000081273635 415483312 /nfs/dbraw/zinc/48/33/12/415483312.db2.gz FRLUUNAVUFRIDU-UHFFFAOYSA-N 0 0 310.379 0.146 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000083613907 415489300 /nfs/dbraw/zinc/48/93/00/415489300.db2.gz AXTQDZQQEKOLRX-MRVPVSSYSA-N 0 0 304.343 0.561 10 0 DCAERN C[C@H](CNC(=O)CCOC1CCOCC1)N1CCOCC1 ZINC000084581542 415495992 /nfs/dbraw/zinc/49/59/92/415495992.db2.gz HMNBGXBEEBNIGL-CYBMUJFWSA-N 0 0 300.399 0.409 10 0 DCAERN C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCCO1 ZINC000079235100 415470189 /nfs/dbraw/zinc/47/01/89/415470189.db2.gz BKGQYOIFLDNMDE-OLZOCXBDSA-N 0 0 312.414 0.017 10 0 DCAERN CC(=O)NC[C@H]1CCn2ncc(C(=O)N[C@@H]3CCO[C@@H]3C)c2C1 ZINC000332812872 415480370 /nfs/dbraw/zinc/48/03/70/415480370.db2.gz OYLDJJSHSJUQHJ-SCDSUCTJSA-N 0 0 320.393 0.489 10 0 DCAERN CCCCN(C)C(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000086448096 415511107 /nfs/dbraw/zinc/51/11/07/415511107.db2.gz FGGDJJNCOUQDOK-UHFFFAOYSA-N 0 0 302.338 0.859 10 0 DCAERN COC(C)(C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088212678 415512836 /nfs/dbraw/zinc/51/28/36/415512836.db2.gz JVDBWXYJFOBPTG-ZDUSSCGKSA-N 0 0 311.426 0.567 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)O1 ZINC000333028278 415534803 /nfs/dbraw/zinc/53/48/03/415534803.db2.gz LLFXITZDUAEQPR-FRRDWIJNSA-N 0 0 319.409 0.659 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCN(c3cccnn3)CC2)CCC1 ZINC000280267189 415542818 /nfs/dbraw/zinc/54/28/18/415542818.db2.gz MGWJJBBWPNQBCD-UHFFFAOYSA-N 0 0 324.406 0.093 10 0 DCAERN CNC(=O)c1cn(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000095347835 415548519 /nfs/dbraw/zinc/54/85/19/415548519.db2.gz PTPBJQNBTOODEH-SNVBAGLBSA-N 0 0 309.370 0.895 10 0 DCAERN Cc1cc(N2CC[C@H](N3CCc4cncnc4C3)C2=O)n(C)n1 ZINC000333108240 415560831 /nfs/dbraw/zinc/56/08/31/415560831.db2.gz RNDPYWXDCXEXFQ-AWEZNQCLSA-N 0 0 312.377 0.682 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C[C@H]21 ZINC000284838814 415603767 /nfs/dbraw/zinc/60/37/67/415603767.db2.gz ZDOXBXZORXBCMJ-NILFDRSVSA-N 0 0 304.394 0.446 10 0 DCAERN O=C(CN1CC(=O)N(C2CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000333319201 415608952 /nfs/dbraw/zinc/60/89/52/415608952.db2.gz PBZNIDDOGLMBMT-KBPBESRZSA-N 0 0 307.394 0.421 10 0 DCAERN C[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)N1CCOCC1 ZINC000103305036 415617197 /nfs/dbraw/zinc/61/71/97/415617197.db2.gz RPDVGTFYFZUPLT-AWEZNQCLSA-N 0 0 321.425 0.950 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000105569962 415632435 /nfs/dbraw/zinc/63/24/35/415632435.db2.gz BAKSPQPWTAHPQZ-LBPRGKRZSA-N 0 0 306.362 0.948 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1=O ZINC000333412397 415640557 /nfs/dbraw/zinc/64/05/57/415640557.db2.gz KINORZOUAWFCRB-GMTAPVOTSA-N 0 0 318.395 0.009 10 0 DCAERN Cc1cc(=O)cc(C)n1CCCC(=O)NC[C@H]1CN(C)CCO1 ZINC000353759802 415647834 /nfs/dbraw/zinc/64/78/34/415647834.db2.gz GFEAODJRGXKXPV-INIZCTEOSA-N 0 0 321.421 0.692 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000098039046 415590194 /nfs/dbraw/zinc/59/01/94/415590194.db2.gz OYVWFLLJWDFVFY-IUCAKERBSA-N 0 0 305.425 0.895 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CC(=O)N(CC3CC3)C2)CCO1 ZINC000333268997 415598055 /nfs/dbraw/zinc/59/80/55/415598055.db2.gz CDMWUGJJQFZZAG-PWSUYJOCSA-N 0 0 302.396 0.395 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)C2(C)CC2)C1=O ZINC000333462551 415655708 /nfs/dbraw/zinc/65/57/08/415655708.db2.gz UXBDDXLIWFENNM-SNVBAGLBSA-N 0 0 312.395 0.387 10 0 DCAERN O=C(CN1CCS(=O)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000111222251 415689482 /nfs/dbraw/zinc/68/94/82/415689482.db2.gz MTZAXLUCQWMUIF-QWHCGFSZSA-N 0 0 300.424 0.221 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000115164745 415723374 /nfs/dbraw/zinc/72/33/74/415723374.db2.gz KWRIMIROQNGXAI-ZDUSSCGKSA-N 0 0 311.426 0.518 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116277385 415727415 /nfs/dbraw/zinc/72/74/15/415727415.db2.gz XDWBBYBVXMCOJG-ZFWWWQNUSA-N 0 0 322.453 0.282 10 0 DCAERN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C1CC1 ZINC000333623015 415698101 /nfs/dbraw/zinc/69/81/01/415698101.db2.gz YUJKBBHNMBIPML-VXGBXAGGSA-N 0 0 300.424 0.649 10 0 DCAERN COCCOCCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112062194 415700906 /nfs/dbraw/zinc/70/09/06/415700906.db2.gz TWNQNDIBQRRELE-AWEZNQCLSA-N 0 0 311.382 0.472 10 0 DCAERN O=C(C1CCC(C(=O)N2CCOCC2)CC1)N1CCOCC1 ZINC000111866720 415701978 /nfs/dbraw/zinc/70/19/78/415701978.db2.gz ZFVJKDNDYFBEDG-UHFFFAOYSA-N 0 0 310.394 0.510 10 0 DCAERN CN(C(=O)Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CCOC1 ZINC000113314960 415714629 /nfs/dbraw/zinc/71/46/29/415714629.db2.gz RFHHPAQQTDXSMP-MRVPVSSYSA-N 0 0 304.393 0.185 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC23CC3)cc1 ZINC000425323799 287316372 /nfs/dbraw/zinc/31/63/72/287316372.db2.gz LNRYBGKTMBYOCL-ZDUSSCGKSA-N 0 0 322.386 0.836 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)C1 ZINC000118972790 415737904 /nfs/dbraw/zinc/73/79/04/415737904.db2.gz KBJFXBORPAZJMQ-NSHDSACASA-N 0 0 303.428 0.516 10 0 DCAERN Cc1nnc2ccc(NCC(C)(C)N3CCS(=O)CC3)nn12 ZINC000333775264 415738439 /nfs/dbraw/zinc/73/84/39/415738439.db2.gz YZLCUJYYYWGPMJ-UHFFFAOYSA-N 0 0 322.438 0.688 10 0 DCAERN CN(C)C(=O)Cn1cnc(NC(=O)NCCC2=CCCC2)n1 ZINC000120517931 415770696 /nfs/dbraw/zinc/77/06/96/415770696.db2.gz AHFLDYVGZBCOEY-UHFFFAOYSA-N 0 0 306.370 0.988 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C ZINC000122398321 415831771 /nfs/dbraw/zinc/83/17/71/415831771.db2.gz MEDBJLVUWSWRLY-WDEREUQCSA-N 0 0 304.437 0.824 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122333324 415832607 /nfs/dbraw/zinc/83/26/07/415832607.db2.gz NBGJLKPCRZBJSY-NSHDSACASA-N 0 0 324.402 0.833 10 0 DCAERN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CC(CO)C1 ZINC000122413081 415833611 /nfs/dbraw/zinc/83/36/11/415833611.db2.gz PMQYVYPEQWNJFY-UHFFFAOYSA-N 0 0 324.402 0.599 10 0 DCAERN NC(=O)[C@]1(O)CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000336861983 415846268 /nfs/dbraw/zinc/84/62/68/415846268.db2.gz BSGGSPOIDLVGPQ-INIZCTEOSA-N 0 0 300.362 0.685 10 0 DCAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)C(=O)N1CCC[C@H]1CO ZINC000120985163 415788023 /nfs/dbraw/zinc/78/80/23/415788023.db2.gz DYPUPFNUBPKAMI-ZDUSSCGKSA-N 0 0 314.345 0.999 10 0 DCAERN O=C(Nc1ccc2nccnc2c1)C(=O)N1CCC[C@H]1CO ZINC000120975064 415789673 /nfs/dbraw/zinc/78/96/73/415789673.db2.gz CXBPFHNCBLINJW-NSHDSACASA-N 0 0 300.318 0.552 10 0 DCAERN CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000121304703 415799991 /nfs/dbraw/zinc/79/99/91/415799991.db2.gz QZNMNSPXHBBAEP-SNVBAGLBSA-N 0 0 321.381 0.766 10 0 DCAERN COCCN(CC1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000122011990 415822954 /nfs/dbraw/zinc/82/29/54/415822954.db2.gz UPKSNQMBPVTORB-UHFFFAOYSA-N 0 0 310.398 0.638 10 0 DCAERN C[C@@H]1CN(C(=O)CSCc2cccnc2)CCS1(=O)=O ZINC000122024341 415824441 /nfs/dbraw/zinc/82/44/41/415824441.db2.gz LBXOEHAOXYYFBE-LLVKDONJSA-N 0 0 314.432 0.960 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000128640709 415902009 /nfs/dbraw/zinc/90/20/09/415902009.db2.gz VLSHWPAHLYASGH-OLZOCXBDSA-N 0 0 324.425 0.555 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000356368937 415908429 /nfs/dbraw/zinc/90/84/29/415908429.db2.gz OBKCFCMWADVVMZ-MBNYWOFBSA-N 0 0 308.334 0.161 10 0 DCAERN CCNC(=O)C1CN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000130061754 415915785 /nfs/dbraw/zinc/91/57/85/415915785.db2.gz ILPQHSVDTYESFN-UHFFFAOYSA-N 0 0 314.349 0.867 10 0 DCAERN COCc1nc(C)c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)s1 ZINC000130324705 415919172 /nfs/dbraw/zinc/91/91/72/415919172.db2.gz SRHOKODBPMTJFS-MNOVXSKESA-N 0 0 311.407 0.753 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1C(C)C ZINC000131104368 415927271 /nfs/dbraw/zinc/92/72/71/415927271.db2.gz PFEZUEFTPQQFKY-LBPRGKRZSA-N 0 0 321.381 0.215 10 0 DCAERN CN(CC1CCC1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000124582975 415853347 /nfs/dbraw/zinc/85/33/47/415853347.db2.gz OIHVVXSDARQMNO-LBPRGKRZSA-N 0 0 303.428 0.709 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCN1CC(F)F ZINC000125396282 415865671 /nfs/dbraw/zinc/86/56/71/415865671.db2.gz PTUFVLDYZGBNAG-NEPJUHHUSA-N 0 0 305.369 0.505 10 0 DCAERN COc1cnc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000297105821 415951063 /nfs/dbraw/zinc/95/10/63/415951063.db2.gz MLYVUCNUDPNWKK-WCQYABFASA-N 0 0 321.381 0.670 10 0 DCAERN C[C@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)CN1CCOCC1 ZINC000134388637 415955934 /nfs/dbraw/zinc/95/59/34/415955934.db2.gz ZMUSGSVTCFAFGT-CHWSQXEVSA-N 0 0 306.410 0.914 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](c3ccco3)C2)C1 ZINC000150854499 415963088 /nfs/dbraw/zinc/96/30/88/415963088.db2.gz BKFYTDVFJDYDLX-JSGCOSHPSA-N 0 0 307.350 0.983 10 0 DCAERN CN1C[C@H](NC(=O)CCc2nc(-c3ccoc3)no2)CCC1=O ZINC000152721035 415969443 /nfs/dbraw/zinc/96/94/43/415969443.db2.gz DHRNVQFHSVYYQS-LLVKDONJSA-N 0 0 318.333 0.999 10 0 DCAERN Cc1cc(N2CC[C@H](N(C)CC(=O)NC3CC3)C2=O)n(C)n1 ZINC000152875833 415971552 /nfs/dbraw/zinc/97/15/52/415971552.db2.gz HLTJEUXIUNWNBL-LBPRGKRZSA-N 0 0 305.382 0.044 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@@H]1C ZINC000153114786 415974954 /nfs/dbraw/zinc/97/49/54/415974954.db2.gz PHTZYBBBZUWICQ-VHSXEESVSA-N 0 0 306.370 0.205 10 0 DCAERN Cn1cc([C@@H]2CCN(CC(=O)NC(=O)NC3CCCC3)C2)cn1 ZINC000172056598 416043327 /nfs/dbraw/zinc/04/33/27/416043327.db2.gz QJCRPELEXAIZIL-GFCCVEGCSA-N 0 0 319.409 0.978 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172125798 416043596 /nfs/dbraw/zinc/04/35/96/416043596.db2.gz QSMBICBZGRHAJL-KIFYNCCSSA-N 0 0 309.410 0.800 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1=O ZINC000172138025 416043783 /nfs/dbraw/zinc/04/37/83/416043783.db2.gz OGMSVCYEXAIJPC-WJLOJVBCSA-N 0 0 309.410 0.798 10 0 DCAERN CCC(O)(CC)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000173241248 416055340 /nfs/dbraw/zinc/05/53/40/416055340.db2.gz FHCMQTPBMKDAJF-UHFFFAOYSA-N 0 0 319.361 0.357 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000173506722 416059628 /nfs/dbraw/zinc/05/96/28/416059628.db2.gz PYRYHZPWYUAJOZ-ZDUSSCGKSA-N 0 0 316.427 0.397 10 0 DCAERN COc1c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)nn1C ZINC000173514157 416060806 /nfs/dbraw/zinc/06/08/06/416060806.db2.gz ANTVAPABNBYPLV-SNVBAGLBSA-N 0 0 320.353 0.377 10 0 DCAERN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1nnc2n1CCCC2 ZINC000173630290 416062012 /nfs/dbraw/zinc/06/20/12/416062012.db2.gz DBKVIQLYUDJZBC-ZJUUUORDSA-N 0 0 320.397 0.642 10 0 DCAERN CC[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)N1CCCC1=O ZINC000173591332 416062017 /nfs/dbraw/zinc/06/20/17/416062017.db2.gz CMILBYORGOVMGS-ZIAGYGMSSA-N 0 0 309.410 0.367 10 0 DCAERN Cc1ccc(C[C@H](C)N(C)C(=O)c2cn(CC(N)=O)nn2)cc1 ZINC000173643234 416062275 /nfs/dbraw/zinc/06/22/75/416062275.db2.gz JWSGQVQBMGJKRM-LBPRGKRZSA-N 0 0 315.377 0.775 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173869241 416068486 /nfs/dbraw/zinc/06/84/86/416068486.db2.gz GHANPIMNTYKAFI-AEGPPILISA-N 0 0 309.410 0.176 10 0 DCAERN Cc1cc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2=O)n(C)n1 ZINC000174040434 416072633 /nfs/dbraw/zinc/07/26/33/416072633.db2.gz HDBCWTAFADTBLB-LLVKDONJSA-N 0 0 312.395 0.306 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@](C)(O)CC2)C[C@H](C)O1 ZINC000300325811 416072883 /nfs/dbraw/zinc/07/28/83/416072883.db2.gz MONYGXNOESKRDP-XQQFMLRXSA-N 0 0 306.428 0.577 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174146573 416073706 /nfs/dbraw/zinc/07/37/06/416073706.db2.gz JMUWAIHIPVAEHH-OLZOCXBDSA-N 0 0 311.426 0.470 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000174169791 416074497 /nfs/dbraw/zinc/07/44/97/416074497.db2.gz YLDVGPIXRFDDJQ-QWHCGFSZSA-N 0 0 320.397 0.636 10 0 DCAERN COCc1csc(NC(=O)NCCN2CCOCC2)n1 ZINC000174407367 416078014 /nfs/dbraw/zinc/07/80/14/416078014.db2.gz FTCSWQJCJUSQIO-UHFFFAOYSA-N 0 0 300.384 0.743 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N[C@H](C)[C@H](C)CO ZINC000158821347 416003501 /nfs/dbraw/zinc/00/35/01/416003501.db2.gz AFEFFVAKKBAMLO-HTQZYQBOSA-N 0 0 307.393 0.830 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CCSCC2)C1 ZINC000356957293 416011273 /nfs/dbraw/zinc/01/12/73/416011273.db2.gz HFUYHEKMWUIEDI-NWDGAFQWSA-N 0 0 300.424 0.930 10 0 DCAERN CCS(=O)(=O)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163750678 416017230 /nfs/dbraw/zinc/01/72/30/416017230.db2.gz VBZZMJIHOPFROC-UHFFFAOYSA-N 0 0 322.390 0.565 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000166839720 416022922 /nfs/dbraw/zinc/02/29/22/416022922.db2.gz USLAAVWKRLIKGY-VIFPVBQESA-N 0 0 310.741 0.411 10 0 DCAERN O=C(CN1CCC(N2CCNC2=O)CC1)Nc1ccncc1 ZINC000171053719 416035511 /nfs/dbraw/zinc/03/55/11/416035511.db2.gz FMGRVWQXJAAJFY-UHFFFAOYSA-N 0 0 303.366 0.510 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000171012209 416035562 /nfs/dbraw/zinc/03/55/62/416035562.db2.gz PQPRPBMLCXUAKL-VXGBXAGGSA-N 0 0 312.414 0.553 10 0 DCAERN Cc1noc(CCNC(=O)NCc2cccnc2N(C)C)n1 ZINC000171184974 416038458 /nfs/dbraw/zinc/03/84/58/416038458.db2.gz PNGSHJMIONVCES-UHFFFAOYSA-N 0 0 304.354 0.881 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(c2cncc(C(N)=O)n2)C1 ZINC000301494470 416085054 /nfs/dbraw/zinc/08/50/54/416085054.db2.gz AVSDCQAGVOSZRB-NSHDSACASA-N 0 0 305.382 0.564 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000174871736 416089093 /nfs/dbraw/zinc/08/90/93/416089093.db2.gz ADWTVZQAPPSMJF-ZDUSSCGKSA-N 0 0 313.365 0.974 10 0 DCAERN NC(=O)c1cncc(N[C@H]2CCN(C(=O)c3ccccn3)C2)n1 ZINC000301831498 416093275 /nfs/dbraw/zinc/09/32/75/416093275.db2.gz ILRWGNRINQJDPM-JTQLQIEISA-N 0 0 312.333 0.297 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)Cn3cccn3)C2=O)n(C)n1 ZINC000175014609 416094386 /nfs/dbraw/zinc/09/43/86/416094386.db2.gz AIPTVJDFBBBSQE-LBPRGKRZSA-N 0 0 316.365 0.237 10 0 DCAERN Cc1cnc(N2CCN(C(=O)N3CCOCC3)CC2)nc1C ZINC000301851645 416096540 /nfs/dbraw/zinc/09/65/40/416096540.db2.gz BJEQVJYTXUZNOW-UHFFFAOYSA-N 0 0 305.382 0.668 10 0 DCAERN CC(=O)c1cnc(NC(=O)CCSc2nnnn2C)s1 ZINC000345491428 416103475 /nfs/dbraw/zinc/10/34/75/416103475.db2.gz WLRBFNPYIANHEG-UHFFFAOYSA-N 0 0 312.380 0.990 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC000175386806 416103702 /nfs/dbraw/zinc/10/37/02/416103702.db2.gz YQXNOIURSCHOIR-AWEZNQCLSA-N 0 0 314.426 0.487 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000175406035 416104562 /nfs/dbraw/zinc/10/45/62/416104562.db2.gz XISMWXZEJYWEAG-VIFPVBQESA-N 0 0 312.329 0.416 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)c(C)s1 ZINC000313649791 416108593 /nfs/dbraw/zinc/10/85/93/416108593.db2.gz QNZVYBDLHAWIFO-LBPRGKRZSA-N 0 0 305.421 0.873 10 0 DCAERN Cc1ccc(F)c(S(=O)(=O)N2CCC[C@](O)(CO)C2)c1 ZINC000313678179 416108807 /nfs/dbraw/zinc/10/88/07/416108807.db2.gz GCAPJOTWROQADH-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN CSc1cc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)ccn1 ZINC000357643580 416109610 /nfs/dbraw/zinc/10/96/10/416109610.db2.gz FXKXAVMGUXDZFU-SNVBAGLBSA-N 0 0 309.395 0.756 10 0 DCAERN O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@](O)(CO)C1 ZINC000313798384 416110813 /nfs/dbraw/zinc/11/08/13/416110813.db2.gz LTSJSDUNSPXKNG-LBPRGKRZSA-N 0 0 323.773 0.987 10 0 DCAERN Cn1cc(CN2CCCN(S(=O)(=O)CCCF)CC2)cn1 ZINC000175575368 416110851 /nfs/dbraw/zinc/11/08/51/416110851.db2.gz ZWLJWHDLWZWVQI-UHFFFAOYSA-N 0 0 318.418 0.617 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](COC)C1 ZINC000176182777 416120299 /nfs/dbraw/zinc/12/02/99/416120299.db2.gz DOROADMGBJRUDB-NWDGAFQWSA-N 0 0 323.397 0.732 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)[C@H](C)C1 ZINC000357730506 416122697 /nfs/dbraw/zinc/12/26/97/416122697.db2.gz IFECFDZABPONNG-CYBMUJFWSA-N 0 0 324.425 0.651 10 0 DCAERN COc1ccnc(N[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)n1 ZINC000328610966 416123907 /nfs/dbraw/zinc/12/39/07/416123907.db2.gz JUDWLOQGWAMYCP-RISCZKNCSA-N 0 0 316.365 0.911 10 0 DCAERN CN(Cc1nccn1C)c1nccc(N[C@@H]2CCCOC2)n1 ZINC000328626531 416123967 /nfs/dbraw/zinc/12/39/67/416123967.db2.gz FEQSUVXFMQUCHF-GFCCVEGCSA-N 0 0 302.382 1.437 10 0 DCAERN O=C1C[C@@H](Nc2nccc(N[C@H]3CCCOC3)n2)CN1C1CC1 ZINC000328636647 416124810 /nfs/dbraw/zinc/12/48/10/416124810.db2.gz OEHIVGYAYCLHHX-NWDGAFQWSA-N 0 0 317.393 1.243 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000357742424 416125242 /nfs/dbraw/zinc/12/52/42/416125242.db2.gz HXCDLQWITGYUKX-GFCCVEGCSA-N 0 0 324.425 0.507 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000176431832 416125345 /nfs/dbraw/zinc/12/53/45/416125345.db2.gz LCYHVLFEEUPBEX-CYBMUJFWSA-N 0 0 309.414 0.669 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000176575888 416129593 /nfs/dbraw/zinc/12/95/93/416129593.db2.gz PBAHAXZPXBORCT-LXGOIASLSA-N 0 0 301.416 0.806 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000357768364 416130101 /nfs/dbraw/zinc/13/01/01/416130101.db2.gz XKLZPVDTZIRKRQ-ZDUSSCGKSA-N 0 0 303.366 0.693 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)c3ncncc3Cl)C2=O)cn1 ZINC000176631387 416131751 /nfs/dbraw/zinc/13/17/51/416131751.db2.gz FJXOYGJBYYBIIB-SNVBAGLBSA-N 0 0 320.740 0.399 10 0 DCAERN COc1ccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)cn1 ZINC000357797935 416133685 /nfs/dbraw/zinc/13/36/85/416133685.db2.gz SYXUHQLMSPFCMX-NSHDSACASA-N 0 0 306.366 0.852 10 0 DCAERN COCCc1noc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000177233648 416142233 /nfs/dbraw/zinc/14/22/33/416142233.db2.gz SFFVGHRHDYPCPP-OLZOCXBDSA-N 0 0 310.398 0.411 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000177413560 416144885 /nfs/dbraw/zinc/14/48/85/416144885.db2.gz COHIHEBCTUMGAH-AAEUAGOBSA-N 0 0 321.352 0.716 10 0 DCAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CSCCS1 ZINC000177289038 416144951 /nfs/dbraw/zinc/14/49/51/416144951.db2.gz VORLECSLBXAIBF-NEPJUHHUSA-N 0 0 302.465 0.814 10 0 DCAERN O=C(CSC[C@@H](O)CO)N1CCC[C@H](C(F)(F)F)C1 ZINC000177420866 416145823 /nfs/dbraw/zinc/14/58/23/416145823.db2.gz KBOCKPNSWACFDA-IUCAKERBSA-N 0 0 301.330 0.874 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cn1nnnc1C(C)C ZINC000177726143 416152004 /nfs/dbraw/zinc/15/20/04/416152004.db2.gz QQSBMLQXCWIFPH-SNVBAGLBSA-N 0 0 304.358 0.348 10 0 DCAERN CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCCc2c1cnn2C ZINC000178661951 416167705 /nfs/dbraw/zinc/16/77/05/416167705.db2.gz VAMRUKTXMGLNGK-LLVKDONJSA-N 0 0 304.350 0.309 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178698072 416168910 /nfs/dbraw/zinc/16/89/10/416168910.db2.gz VTYKAHGIMSVYIH-GOEBONIOSA-N 0 0 311.341 0.586 10 0 DCAERN COCCOCCS(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000178708763 416169410 /nfs/dbraw/zinc/16/94/10/416169410.db2.gz ZRIPIIHFWWIMMB-UHFFFAOYSA-N 0 0 317.411 0.582 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)NCCC2=CCCC2)CC1 ZINC000178788435 416172572 /nfs/dbraw/zinc/17/25/72/416172572.db2.gz XEQLCMGUOKMENF-UHFFFAOYSA-N 0 0 308.426 0.950 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000179128175 416182975 /nfs/dbraw/zinc/18/29/75/416182975.db2.gz JEKOHKQXOLOGGQ-CYBMUJFWSA-N 0 0 316.365 0.764 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](CC)N2CCCC2=O)CC1 ZINC000179409980 416186374 /nfs/dbraw/zinc/18/63/74/416186374.db2.gz LWXLWMDFTVXZBU-KGLIPLIRSA-N 0 0 311.426 0.303 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCC(=O)c3cccn32)CCS1(=O)=O ZINC000329845982 416191475 /nfs/dbraw/zinc/19/14/75/416191475.db2.gz MAJZKORHZAUJHM-JQWIXIFHSA-N 0 0 310.375 0.651 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3cn(C)nc3CC)CCO2)[nH]1 ZINC000180323043 416195189 /nfs/dbraw/zinc/19/51/89/416195189.db2.gz KLUZDPZOPFOREX-GFCCVEGCSA-N 0 0 318.381 0.877 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000180274341 416195379 /nfs/dbraw/zinc/19/53/79/416195379.db2.gz CQRUNNARWHBGQM-KIUWMYQTSA-N 0 0 311.341 0.961 10 0 DCAERN COc1n[nH]c(NC(=O)CCn2c3ccccc3n(C)c2=O)n1 ZINC000183005897 416234074 /nfs/dbraw/zinc/23/40/74/416234074.db2.gz HCDVLRNEWIAAAJ-UHFFFAOYSA-N 0 0 316.321 0.496 10 0 DCAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cc(C(N)=O)cn1C ZINC000180873404 416201150 /nfs/dbraw/zinc/20/11/50/416201150.db2.gz XVFSILDLSHXYCN-UHFFFAOYSA-N 0 0 313.317 0.426 10 0 DCAERN COCC[C@H](COC)NC(=O)c1cncc(N2CCOCC2)c1 ZINC000358411859 416234103 /nfs/dbraw/zinc/23/41/03/416234103.db2.gz KMFQCFFKMFTPBW-CQSZACIVSA-N 0 0 323.393 0.700 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180970198 416202932 /nfs/dbraw/zinc/20/29/32/416202932.db2.gz YCWSKNDRDYINQQ-GFCCVEGCSA-N 0 0 301.416 0.577 10 0 DCAERN COCCCOCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000181126222 416204687 /nfs/dbraw/zinc/20/46/87/416204687.db2.gz LPFBNXULGJLKOU-KGLIPLIRSA-N 0 0 300.399 0.219 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NCC(=O)NCC1CC1 ZINC000181217894 416204900 /nfs/dbraw/zinc/20/49/00/416204900.db2.gz BUZIJHGQMKPWNN-UHFFFAOYSA-N 0 0 307.398 0.865 10 0 DCAERN CCc1nnsc1C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181403037 416205658 /nfs/dbraw/zinc/20/56/58/416205658.db2.gz ZNKNMQZRLCFOJK-LLVKDONJSA-N 0 0 306.395 0.621 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2cc(N)nc(Cl)c2)cn1 ZINC000181332964 416205868 /nfs/dbraw/zinc/20/58/68/416205868.db2.gz ZWNUZRKEWPQRNQ-NSHDSACASA-N 0 0 320.784 0.837 10 0 DCAERN C[C@@H](Oc1cccnc1)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181382404 416206544 /nfs/dbraw/zinc/20/65/44/416206544.db2.gz GMACKGZDCYXCDU-IUODEOHRSA-N 0 0 315.377 0.756 10 0 DCAERN COC1(CNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)CCC1 ZINC000181806353 416211023 /nfs/dbraw/zinc/21/10/23/416211023.db2.gz KMNCZWMZFCOJMI-ZIAGYGMSSA-N 0 0 311.426 0.918 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCC1(CO)CCC1)CC2 ZINC000181770575 416211784 /nfs/dbraw/zinc/21/17/84/416211784.db2.gz MUCWZQIFUNVAFN-LLVKDONJSA-N 0 0 307.398 0.617 10 0 DCAERN Cc1ccc(C[N@H+](CCO)C[C@H](O)CN2CCOCC2)cc1 ZINC000181983811 416213313 /nfs/dbraw/zinc/21/33/13/416213313.db2.gz LLWWKKIIBCIWRG-QGZVFWFLSA-N 0 0 308.422 0.482 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000182007486 416213964 /nfs/dbraw/zinc/21/39/64/416213964.db2.gz DSSLQFVKRHUNQD-UONOGXRCSA-N 0 0 321.425 0.365 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1nc[nH]n1 ZINC000182392785 416221128 /nfs/dbraw/zinc/22/11/28/416221128.db2.gz UAWKEAOWBBJAPS-MNOVXSKESA-N 0 0 316.369 0.624 10 0 DCAERN COCc1noc(CN2CCN([C@H]3CCCCNC3=O)CC2)n1 ZINC000182448323 416222369 /nfs/dbraw/zinc/22/23/69/416222369.db2.gz MURCUXZZESTFPS-LBPRGKRZSA-N 0 0 323.397 0.002 10 0 DCAERN Cc1ccc(CN(CCO)C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000182620369 416228640 /nfs/dbraw/zinc/22/86/40/416228640.db2.gz KJKISNCWFIDUFL-INIZCTEOSA-N 0 0 321.421 0.830 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(C(C)=O)C[C@H]2C)C1 ZINC000357947850 416157856 /nfs/dbraw/zinc/15/78/56/416157856.db2.gz ZJTKKXFANRUBAF-OCCSQVGLSA-N 0 0 309.410 0.714 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178328174 416161023 /nfs/dbraw/zinc/16/10/23/416161023.db2.gz PESIYSFWVCBPRL-MLGOLLRUSA-N 0 0 302.330 0.300 10 0 DCAERN CC(C)COC[C@H](O)CNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000178367042 416163396 /nfs/dbraw/zinc/16/33/96/416163396.db2.gz HJPXCSDDPUOQLI-ZIAGYGMSSA-N 0 0 324.425 0.883 10 0 DCAERN NS(=O)(=O)CCCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000178405529 416163417 /nfs/dbraw/zinc/16/34/17/416163417.db2.gz GNQZSJOEOJMPBN-RYUDHWBXSA-N 0 0 318.395 0.083 10 0 DCAERN CCC[C@@](C)(O)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178524156 416163962 /nfs/dbraw/zinc/16/39/62/416163962.db2.gz LDKCTEAUNKJCDF-BLLLJJGKSA-N 0 0 322.409 0.891 10 0 DCAERN CC(C)[C@@H](CNC(=O)NC[C@H](CO)C1CC1)N1CCOCC1 ZINC000358460921 416241153 /nfs/dbraw/zinc/24/11/53/416241153.db2.gz FEQGVBMLRUUXOP-HUUCEWRRSA-N 0 0 313.442 0.661 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC000186138408 416255715 /nfs/dbraw/zinc/25/57/15/416255715.db2.gz VKRCIHUREWNPDZ-GFCCVEGCSA-N 0 0 324.425 0.506 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)n[nH]1 ZINC000187192466 416261022 /nfs/dbraw/zinc/26/10/22/416261022.db2.gz RSIJKDXILMHOOR-UHFFFAOYSA-N 0 0 322.413 0.464 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188691287 416264363 /nfs/dbraw/zinc/26/43/63/416264363.db2.gz KIVVSVXSIJGHCP-LBPRGKRZSA-N 0 0 300.399 0.491 10 0 DCAERN O=C(NCCCNc1ccccn1)c1cc2c(cn1)nc[nH]c2=O ZINC000189688880 416267500 /nfs/dbraw/zinc/26/75/00/416267500.db2.gz FZZAWZMHNWVQOV-UHFFFAOYSA-N 0 0 324.344 0.945 10 0 DCAERN CC(=O)N1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)[C@@H](C)C1 ZINC000358690137 416269835 /nfs/dbraw/zinc/26/98/35/416269835.db2.gz NJZMBXWDNHOILZ-NSHDSACASA-N 0 0 316.423 0.423 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NCC1(CCO)CC1 ZINC000190205053 416276598 /nfs/dbraw/zinc/27/65/98/416276598.db2.gz YYELPNZJLIAGGI-UHFFFAOYSA-N 0 0 306.366 0.273 10 0 DCAERN COC(=O)[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)C1CC1 ZINC000358809154 416277274 /nfs/dbraw/zinc/27/72/74/416277274.db2.gz JEEXSYOVWNECBB-ZFWWWQNUSA-N 0 0 314.451 0.736 10 0 DCAERN O=C1CCCN1CCCNc1cc(N2CCOCC2)ncn1 ZINC000192262914 416304263 /nfs/dbraw/zinc/30/42/63/416304263.db2.gz GQTGGEBFACWLMQ-UHFFFAOYSA-N 0 0 305.382 0.738 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@H](C)C(=O)OC(C)C)[C@H](C)C1 ZINC000359085361 416305875 /nfs/dbraw/zinc/30/58/75/416305875.db2.gz SSEXALSCCZPCFQ-NWDGAFQWSA-N 0 0 313.398 0.836 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@H](C)C(=O)OC(C)C)[C@@H](C)C1 ZINC000359085362 416305952 /nfs/dbraw/zinc/30/59/52/416305952.db2.gz SSEXALSCCZPCFQ-RYUDHWBXSA-N 0 0 313.398 0.836 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000331324005 416307049 /nfs/dbraw/zinc/30/70/49/416307049.db2.gz NHUANKVIZDZMJO-SECBINFHSA-N 0 0 304.272 1.395 10 0 DCAERN COCCOCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192593938 416308394 /nfs/dbraw/zinc/30/83/94/416308394.db2.gz IDBOBKHWQKCTLK-UHFFFAOYSA-N 0 0 305.334 0.886 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NCC2(OC)CCC2)n1 ZINC000359245633 416315712 /nfs/dbraw/zinc/31/57/12/416315712.db2.gz STJKEAPYWRWABD-UHFFFAOYSA-N 0 0 321.377 0.434 10 0 DCAERN CN(C)c1noc(CNC(=O)NCCCc2ccccn2)n1 ZINC000358823581 416280125 /nfs/dbraw/zinc/28/01/25/416280125.db2.gz MIXAZCUXIRLBLU-UHFFFAOYSA-N 0 0 304.354 0.963 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=CCCC1 ZINC000194035712 416321737 /nfs/dbraw/zinc/32/17/37/416321737.db2.gz HHBSNHRNPJVQHA-UHFFFAOYSA-N 0 0 324.468 0.688 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(NCc3cocn3)C2)cc1 ZINC000191977578 416293833 /nfs/dbraw/zinc/29/38/33/416293833.db2.gz OXTZBMHUPWRDAN-UHFFFAOYSA-N 0 0 323.374 0.846 10 0 DCAERN O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H](CO)C1CC1 ZINC000359779550 416358367 /nfs/dbraw/zinc/35/83/67/416358367.db2.gz XFHKQNSPQGSCRD-GFCCVEGCSA-N 0 0 320.345 0.280 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000359576543 416351329 /nfs/dbraw/zinc/35/13/29/416351329.db2.gz AJQRPAMJXLVJLK-CQSZACIVSA-N 0 0 319.409 0.616 10 0 DCAERN COCC[C@H](C)S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000359694355 416353764 /nfs/dbraw/zinc/35/37/64/416353764.db2.gz KZYQGPMSFKOXMF-NSHDSACASA-N 0 0 306.428 0.780 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2ccnc(C)n2)cc1 ZINC000194376982 416322931 /nfs/dbraw/zinc/32/29/31/416322931.db2.gz ZEFGCJKSXAHPLN-UHFFFAOYSA-N 0 0 314.345 0.840 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000194810841 416324310 /nfs/dbraw/zinc/32/43/10/416324310.db2.gz PKVMEARXUIBNDL-OLZOCXBDSA-N 0 0 301.346 0.212 10 0 DCAERN CCn1c(C)nnc1CN1CCN(c2nccc(OC)n2)CC1 ZINC000195103161 416325139 /nfs/dbraw/zinc/32/51/39/416325139.db2.gz QSNRUZCJRWYUNG-UHFFFAOYSA-N 0 0 317.397 0.727 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@H](C)O1 ZINC000195200973 416325536 /nfs/dbraw/zinc/32/55/36/416325536.db2.gz YEEGJIOFUQLSDH-QWRGUYRKSA-N 0 0 312.391 0.725 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)CCOC1 ZINC000359900186 416365144 /nfs/dbraw/zinc/36/51/44/416365144.db2.gz OUNWAUPKBPHUCY-HNNXBMFYSA-N 0 0 322.365 0.008 10 0 DCAERN O=C(Cn1cccnc1=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000359900633 416365505 /nfs/dbraw/zinc/36/55/05/416365505.db2.gz BCQRBBFIEGMSOO-CYBMUJFWSA-N 0 0 312.329 0.165 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000360868154 416414910 /nfs/dbraw/zinc/41/49/10/416414910.db2.gz XGHFGAHTJLEENS-NWDGAFQWSA-N 0 0 300.399 0.849 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000360324355 416385912 /nfs/dbraw/zinc/38/59/12/416385912.db2.gz KGSGCAIXMCWUHW-KBPBESRZSA-N 0 0 321.421 0.928 10 0 DCAERN CN(CCCNC(=O)CN1CC(=O)N(C)C1)c1ccccc1 ZINC000360466700 416392095 /nfs/dbraw/zinc/39/20/95/416392095.db2.gz IHTICMLFYFWXBQ-UHFFFAOYSA-N 0 0 304.394 0.361 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N1CCN2CCOC[C@@H]2C1 ZINC000360715874 416405698 /nfs/dbraw/zinc/40/56/98/416405698.db2.gz UEKFVUPJVROYFS-AWEZNQCLSA-N 0 0 315.377 0.789 10 0 DCAERN CCc1ccccc1CNC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458441856 416468042 /nfs/dbraw/zinc/46/80/42/416468042.db2.gz HYOZOEFIPJHZGO-CQSZACIVSA-N 0 0 303.366 0.701 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)NCc2ccn(C)n2)cn1 ZINC000434291424 416469406 /nfs/dbraw/zinc/46/94/06/416469406.db2.gz CNAOPQOCNYDZCS-UHFFFAOYSA-N 0 0 302.338 0.773 10 0 DCAERN CN(C[C@@H]1CCc2nccn2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583614792 416479035 /nfs/dbraw/zinc/47/90/35/416479035.db2.gz HCCWZCYLZBXHKB-NWDGAFQWSA-N 0 0 305.382 0.318 10 0 DCAERN CCn1cccc(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)c1=O ZINC000434456706 416479838 /nfs/dbraw/zinc/47/98/38/416479838.db2.gz NMMYEFSXAANFNZ-GFCCVEGCSA-N 0 0 320.393 0.630 10 0 DCAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000583620982 416479852 /nfs/dbraw/zinc/47/98/52/416479852.db2.gz ZRNJXZKDQHACKG-QGZVFWFLSA-N 0 0 320.389 0.855 10 0 DCAERN Cn1nccc1CC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000583619578 416480449 /nfs/dbraw/zinc/48/04/49/416480449.db2.gz VRCLUKIRBVDTJZ-CJNGLKHVSA-N 0 0 313.361 0.446 10 0 DCAERN COC[C@]1(C)NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000583911087 416484399 /nfs/dbraw/zinc/48/43/99/416484399.db2.gz PTNCQDXVQNKZAX-INIZCTEOSA-N 0 0 319.361 0.985 10 0 DCAERN Cn1cnc(CCNC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)n1 ZINC000361208009 416426449 /nfs/dbraw/zinc/42/64/49/416426449.db2.gz DRFPJJBCCVASSS-NSHDSACASA-N 0 0 321.303 0.456 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2COC[C@@H]2OC)c1 ZINC000458361803 416457426 /nfs/dbraw/zinc/45/74/26/416457426.db2.gz PLZSKWGBZHUOOK-OLZOCXBDSA-N 0 0 313.375 0.624 10 0 DCAERN CN1CCOC[C@@H]1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000536109846 416537318 /nfs/dbraw/zinc/53/73/18/416537318.db2.gz FRYMCMOCGVIBPC-OAHLLOKOSA-N 0 0 305.378 0.792 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)Nc2nocc2C)n1 ZINC000435833896 416537512 /nfs/dbraw/zinc/53/75/12/416537512.db2.gz HGQUOEWHKKXZFC-UHFFFAOYSA-N 0 0 304.306 0.684 10 0 DCAERN CC(=O)Nc1ccc(CNS(=O)(=O)N2CCC[C@H]2C)cn1 ZINC000435927390 416542759 /nfs/dbraw/zinc/54/27/59/416542759.db2.gz MLQVZMWSKJBIEH-SNVBAGLBSA-N 0 0 312.395 0.859 10 0 DCAERN COc1ccc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)cn1 ZINC000436439910 416559151 /nfs/dbraw/zinc/55/91/51/416559151.db2.gz QINZGAVZZTWLNV-MRXNPFEDSA-N 0 0 317.345 0.319 10 0 DCAERN Cc1cc(Cl)cnc1NC(=O)C(=O)N1CC(n2ccnn2)C1 ZINC000361772271 416493369 /nfs/dbraw/zinc/49/33/69/416493369.db2.gz NQFLQZPWEJZIIF-UHFFFAOYSA-N 0 0 320.740 0.657 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccn(C)n1)C2 ZINC000534295917 416497982 /nfs/dbraw/zinc/49/79/82/416497982.db2.gz FUWZTHVIYKDJNR-LBPRGKRZSA-N 0 0 300.366 0.875 10 0 DCAERN C=Cc1ccc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458818797 416504361 /nfs/dbraw/zinc/50/43/61/416504361.db2.gz RSSRLDOSCNXMRY-OAHLLOKOSA-N 0 0 315.377 0.824 10 0 DCAERN NS(=O)(=O)CCOCCNC(=O)NCC1CCCCCC1 ZINC000459004311 416517636 /nfs/dbraw/zinc/51/76/36/416517636.db2.gz FNJCVDZRQDWDNX-UHFFFAOYSA-N 0 0 321.443 0.561 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000361900458 416518900 /nfs/dbraw/zinc/51/89/00/416518900.db2.gz GWHOYEGCWGFDKO-CMPLNLGQSA-N 0 0 308.382 0.711 10 0 DCAERN COc1cccc(OC)c1C(=O)NCCn1cnccc1=O ZINC000585238036 416519544 /nfs/dbraw/zinc/51/95/44/416519544.db2.gz FYSMCSWIEQRSEX-UHFFFAOYSA-N 0 0 303.318 0.691 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000361905167 416519988 /nfs/dbraw/zinc/51/99/88/416519988.db2.gz HLTHLIKNYPRJEP-WDEREUQCSA-N 0 0 308.382 0.711 10 0 DCAERN Cc1nc(CN(C)C(=O)CCn2c(C)cc(O)cc2=O)no1 ZINC000438273245 416596478 /nfs/dbraw/zinc/59/64/78/416596478.db2.gz TVXMNQLBXKCFKV-UHFFFAOYSA-N 0 0 306.322 0.602 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@H](O)C2CCOCC2)n1 ZINC000541509694 416607799 /nfs/dbraw/zinc/60/77/99/416607799.db2.gz WJHBZQSSDGGREU-LLVKDONJSA-N 0 0 311.386 0.942 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1O ZINC000436719040 416567367 /nfs/dbraw/zinc/56/73/67/416567367.db2.gz YPHAXKIJIORQRG-UWVGGRQHSA-N 0 0 308.334 0.578 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(COC)n1 ZINC000362662377 416569486 /nfs/dbraw/zinc/56/94/86/416569486.db2.gz IFBRXRCJORPMDF-GHMZBOCLSA-N 0 0 324.381 0.800 10 0 DCAERN COC[C@H](NC(=O)CN1C(=O)CN(C)C1=O)c1ccc(F)cc1 ZINC000437366428 416582058 /nfs/dbraw/zinc/58/20/58/416582058.db2.gz AYTRSSGVFIMLOG-LBPRGKRZSA-N 0 0 323.324 0.523 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC000364286778 416582987 /nfs/dbraw/zinc/58/29/87/416582987.db2.gz DVPFHBUUMKSUBJ-CMPLNLGQSA-N 0 0 305.382 0.796 10 0 DCAERN Cc1nc(CN(C)C(=O)c2sccc2-n2cnnn2)no1 ZINC000539783445 416584366 /nfs/dbraw/zinc/58/43/66/416584366.db2.gz OZAGBCRLXGUQLM-UHFFFAOYSA-N 0 0 305.323 0.687 10 0 DCAERN CN1CCOC[C@H]1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000542818194 416631152 /nfs/dbraw/zinc/63/11/52/416631152.db2.gz KLIDSZCQYXDZMC-LBPRGKRZSA-N 0 0 302.338 0.060 10 0 DCAERN CC(=O)N[C@H](C(=O)N(C)Cc1cnc(N(C)C)nc1)C(C)C ZINC000542810754 416632583 /nfs/dbraw/zinc/63/25/83/416632583.db2.gz AXXYFMAGVMFKBD-ZDUSSCGKSA-N 0 0 307.398 0.662 10 0 DCAERN c1ccc(Cn2nnnc2CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000543554500 416640304 /nfs/dbraw/zinc/64/03/04/416640304.db2.gz ALFXLFZHWBEFET-HNNXBMFYSA-N 0 0 314.393 0.238 10 0 DCAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCSC[C@@H]1CCO ZINC000543745113 416646396 /nfs/dbraw/zinc/64/63/96/416646396.db2.gz BPFYRGIPYPNCSM-VIFPVBQESA-N 0 0 308.363 0.375 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)Nc2ccn(CCOC)n2)no1 ZINC000440970459 416654975 /nfs/dbraw/zinc/65/49/75/416654975.db2.gz CHKMLMQKCLFHRP-UHFFFAOYSA-N 0 0 322.369 1.532 10 0 DCAERN O=C(CSCCOCCO)NCc1ccc2c(c1)OCO2 ZINC000545181780 416665574 /nfs/dbraw/zinc/66/55/74/416665574.db2.gz ZMRHMXDFYDCAKR-UHFFFAOYSA-N 0 0 313.375 0.774 10 0 DCAERN COCCn1ccc(NC(=O)NCCc2cccc(OC)n2)n1 ZINC000441230286 416666339 /nfs/dbraw/zinc/66/63/39/416666339.db2.gz PXEPJSILWDRTBR-UHFFFAOYSA-N 0 0 319.365 1.297 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC23CCC3)cn1 ZINC000441532121 416674564 /nfs/dbraw/zinc/67/45/64/416674564.db2.gz GBDSODCZBRMARN-UHFFFAOYSA-N 0 0 323.374 0.579 10 0 DCAERN O=C(Nc1cccc(-n2cnnn2)c1)C(=O)N1CCC12CCC2 ZINC000441528439 416675295 /nfs/dbraw/zinc/67/52/95/416675295.db2.gz ZFJNMYHCUSDMLB-UHFFFAOYSA-N 0 0 312.333 0.756 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000623096862 416743393 /nfs/dbraw/zinc/74/33/93/416743393.db2.gz HTQRFALAFMORHE-KFWWJZLASA-N 0 0 320.393 0.541 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1O ZINC000425293552 416690714 /nfs/dbraw/zinc/69/07/14/416690714.db2.gz KWVZNQDMBRPJEM-ZDUSSCGKSA-N 0 0 322.361 0.018 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H](CO)CN2CCOCC2)cs1 ZINC000425298629 416692571 /nfs/dbraw/zinc/69/25/71/416692571.db2.gz XETMCFPEUWMRBE-GFCCVEGCSA-N 0 0 312.391 0.374 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)C1 ZINC000368794791 416693689 /nfs/dbraw/zinc/69/36/89/416693689.db2.gz KVZMDMYIGVJAOW-JSGCOSHPSA-N 0 0 321.421 0.620 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000368824231 416694767 /nfs/dbraw/zinc/69/47/67/416694767.db2.gz KSLLCCDTJPMXFL-CQSZACIVSA-N 0 0 303.362 0.203 10 0 DCAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCN2CCOC[C@H]2C1 ZINC000368824965 416695341 /nfs/dbraw/zinc/69/53/41/416695341.db2.gz MWWPUQRDVLWPOR-OAHLLOKOSA-N 0 0 313.361 0.424 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCc2ncnn2CC)no1 ZINC000442581883 416697596 /nfs/dbraw/zinc/69/75/96/416697596.db2.gz LJSLBCIECDNJPA-UHFFFAOYSA-N 0 0 307.358 0.978 10 0 DCAERN COC(=O)c1cc(NC(=O)C(=O)N2CCOCC[C@@H]2C)cn1C ZINC000368939448 416706880 /nfs/dbraw/zinc/70/68/80/416706880.db2.gz RPQXPDMEONHBEY-JTQLQIEISA-N 0 0 323.349 0.388 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1([S@](C)=O)CC1 ZINC000442934675 416721354 /nfs/dbraw/zinc/72/13/54/416721354.db2.gz LKDPJLDRSRETTD-FIKIJFGZSA-N 0 0 308.403 0.832 10 0 DCAERN CN(CCCO)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000443089763 416730333 /nfs/dbraw/zinc/73/03/33/416730333.db2.gz DFRTWIKIKNQWEP-UHFFFAOYSA-N 0 0 315.395 0.254 10 0 DCAERN Cn1cc(OCC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cn1 ZINC000558626022 416779884 /nfs/dbraw/zinc/77/98/84/416779884.db2.gz QCZUZUGMQOPOOO-CYBMUJFWSA-N 0 0 305.338 0.133 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000517641835 416816160 /nfs/dbraw/zinc/81/61/60/416816160.db2.gz OKGXVFNNCFHMKT-ZDUSSCGKSA-N 0 0 317.349 0.650 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC(C)(C)CCO)c1 ZINC000559631967 416817943 /nfs/dbraw/zinc/81/79/43/416817943.db2.gz OQSLHKURQJDHMI-UHFFFAOYSA-N 0 0 321.377 0.885 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000370118014 416883401 /nfs/dbraw/zinc/88/34/01/416883401.db2.gz ZJLCESLEHQOOGG-OLZOCXBDSA-N 0 0 322.413 0.414 10 0 DCAERN CCc1c(C(=O)N2CC(O)(CO)C2)cnn1-c1ccccc1 ZINC000615427322 416828275 /nfs/dbraw/zinc/82/82/75/416828275.db2.gz BQKWFWCMNDIJJR-UHFFFAOYSA-N 0 0 301.346 0.614 10 0 DCAERN CNC(=O)CCCC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000444342210 416832596 /nfs/dbraw/zinc/83/25/96/416832596.db2.gz WQFHHJYFFJLXDY-UHFFFAOYSA-N 0 0 320.393 0.451 10 0 DCAERN CCOC(=O)CC(=O)N[C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444539223 416848312 /nfs/dbraw/zinc/84/83/12/416848312.db2.gz AIBSQKOQUSDZRS-ZUZCIYMTSA-N 0 0 315.366 0.803 10 0 DCAERN COCC(COC)S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000641537048 416907399 /nfs/dbraw/zinc/90/73/99/416907399.db2.gz SKSDKPVLSHZXPH-QJPTWQEYSA-N 0 0 307.412 0.070 10 0 DCAERN COCCOCCNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446469996 416930021 /nfs/dbraw/zinc/93/00/21/416930021.db2.gz AYORQWVYGCANBL-JTQLQIEISA-N 0 0 324.303 0.986 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000373175010 416948422 /nfs/dbraw/zinc/94/84/22/416948422.db2.gz YDMXTDHAARGTIE-GFCCVEGCSA-N 0 0 320.393 1.574 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nncs1 ZINC000624366330 417019566 /nfs/dbraw/zinc/01/95/66/417019566.db2.gz WEUFRALXIJBVEU-UHFFFAOYSA-N 0 0 313.383 0.286 10 0 DCAERN O=S(=O)(NCc1nnc2ccccn21)c1cncc(F)c1 ZINC000447192573 416970486 /nfs/dbraw/zinc/97/04/86/416970486.db2.gz OPLFCVFZSFKFJN-UHFFFAOYSA-N 0 0 307.310 0.742 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000430485342 417036818 /nfs/dbraw/zinc/03/68/18/417036818.db2.gz MWBPOORXYUMYPB-UHFFFAOYSA-N 0 0 321.443 0.330 10 0 DCAERN c1ccc(-n2nnnc2N2CCN(c3nccnn3)CC2)cc1 ZINC000624443233 417039655 /nfs/dbraw/zinc/03/96/55/417039655.db2.gz TYLGMYZQGWUDMQ-UHFFFAOYSA-N 0 0 309.337 0.174 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C12CCOCC2 ZINC000522024546 417044451 /nfs/dbraw/zinc/04/44/51/417044451.db2.gz QIWTVEMPJHSVNN-STQMWFEESA-N 0 0 324.421 0.945 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)[C@H](CO)c1ccccc1 ZINC000616433524 417045057 /nfs/dbraw/zinc/04/50/57/417045057.db2.gz QPKRBAHKRGOQMX-RHSMWYFYSA-N 0 0 320.389 0.516 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Nc3nncs3)[C@@H]2C1 ZINC000566583718 417051572 /nfs/dbraw/zinc/05/15/72/417051572.db2.gz CDHKMOUNFWCBLR-HBNTYKKESA-N 0 0 309.395 1.307 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)C1 ZINC000566892891 417053619 /nfs/dbraw/zinc/05/36/19/417053619.db2.gz STCWQZZLXOKSAV-LBPRGKRZSA-N 0 0 322.413 1.413 10 0 DCAERN c1nc2cncc(N[C@@H]3CCN(c4ccc5nncn5n4)C3)n2n1 ZINC000624534178 417055485 /nfs/dbraw/zinc/05/54/85/417055485.db2.gz VWWYTSMEQBTTPS-SNVBAGLBSA-N 0 0 322.336 0.253 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000567213536 417058531 /nfs/dbraw/zinc/05/85/31/417058531.db2.gz GJUQQDGTWZJMIW-OAHLLOKOSA-N 0 0 302.334 0.839 10 0 DCAERN CCCn1ncnc1CS(=O)(=O)CC(=O)N(C)CC1CC1 ZINC000448101263 417061765 /nfs/dbraw/zinc/06/17/65/417061765.db2.gz NIMANDUUYRJFNC-UHFFFAOYSA-N 0 0 314.411 0.471 10 0 DCAERN CCc1[nH]nc(NC(=O)[C@](C)(O)Cn2ccccc2=O)c1C ZINC000448169366 417063494 /nfs/dbraw/zinc/06/34/94/417063494.db2.gz KMVDNQDYBRJOSS-OAHLLOKOSA-N 0 0 304.350 0.832 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)c1cn3cccnc3n1)CC2 ZINC000522632547 417064872 /nfs/dbraw/zinc/06/48/72/417064872.db2.gz DESZRWMCYQFPDI-NSHDSACASA-N 0 0 311.349 0.622 10 0 DCAERN CS(=O)(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616602370 417082989 /nfs/dbraw/zinc/08/29/89/417082989.db2.gz IMGVAFQYRAQECA-NSHDSACASA-N 0 0 305.377 0.078 10 0 DCAERN NS(=O)(=O)[C@H]1CCCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616626842 417083886 /nfs/dbraw/zinc/08/38/86/417083886.db2.gz CLGKFVRECVVOMU-LBPRGKRZSA-N 0 0 318.420 0.518 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1CNCCN1S(C)(=O)=O ZINC000616605098 417085413 /nfs/dbraw/zinc/08/54/13/417085413.db2.gz RZDBSURBXYMECP-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2CN(S(C)(=O)=O)CCN2)cc1 ZINC000616635317 417086396 /nfs/dbraw/zinc/08/63/96/417086396.db2.gz PRBOPIGIZWNCBL-ZDUSSCGKSA-N 0 0 312.391 0.769 10 0 DCAERN COC(=O)[C@@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616664532 417089684 /nfs/dbraw/zinc/08/96/84/417089684.db2.gz VUTMBVWLDTVYQY-NSHDSACASA-N 0 0 302.371 0.633 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616665142 417090654 /nfs/dbraw/zinc/09/06/54/417090654.db2.gz OIOZKLINWXYFIH-JTQLQIEISA-N 0 0 323.415 0.196 10 0 DCAERN CN1CCO[C@@H](CS(=O)(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000632476134 417114983 /nfs/dbraw/zinc/11/49/83/417114983.db2.gz TWRYJJJVTYVDLH-QWHCGFSZSA-N 0 0 318.439 0.026 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnn3ccccc23)n1 ZINC000431345052 417118226 /nfs/dbraw/zinc/11/82/26/417118226.db2.gz QLXUDZASMQNIQC-GXFFZTMASA-N 0 0 313.317 0.974 10 0 DCAERN COC(=O)Cc1cccc(NC(=O)NCc2cn(C)nn2)n1 ZINC000616832173 417118351 /nfs/dbraw/zinc/11/83/51/417118351.db2.gz RGXCGHVVIQMRSD-UHFFFAOYSA-N 0 0 304.310 0.247 10 0 DCAERN O=S(=O)(NCC[C@@]1(O)CCOC1)c1ccc(F)c(F)c1 ZINC000404162083 417118962 /nfs/dbraw/zinc/11/89/62/417118962.db2.gz SMEYZCIABAPHNW-GFCCVEGCSA-N 0 0 307.318 0.785 10 0 DCAERN Cc1ccc(F)cc1S(=O)(=O)NCC[C@@]1(O)CCOC1 ZINC000404203277 417119167 /nfs/dbraw/zinc/11/91/67/417119167.db2.gz OISKVMZONPKSFI-CYBMUJFWSA-N 0 0 303.355 0.954 10 0 DCAERN CN(C)C(=O)N1CCN(Cc2nc(N(C)C)no2)C(C)(C)C1 ZINC000407959968 417127619 /nfs/dbraw/zinc/12/76/19/417127619.db2.gz WAAHUFHKGLMZRV-UHFFFAOYSA-N 0 0 310.402 0.713 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408017174 417133313 /nfs/dbraw/zinc/13/33/13/417133313.db2.gz PUNWJRSXFFSGPR-QWHCGFSZSA-N 0 0 305.444 0.224 10 0 DCAERN CN(C)c1noc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000408042706 417137815 /nfs/dbraw/zinc/13/78/15/417137815.db2.gz IALCIQJAEPDRTR-UPJWGTAASA-N 0 0 310.398 0.888 10 0 DCAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCNC1=O ZINC000616965838 417142773 /nfs/dbraw/zinc/14/27/73/417142773.db2.gz CKIWCAHKNDHQOR-QMMMGPOBSA-N 0 0 300.156 0.889 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cnc3cnccn23)CC12COC2 ZINC000449357989 417143085 /nfs/dbraw/zinc/14/30/85/417143085.db2.gz FERKGMVMRCVTML-CYBMUJFWSA-N 0 0 316.361 0.741 10 0 DCAERN CCN1C[C@H](C)N(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000408042018 417136679 /nfs/dbraw/zinc/13/66/79/417136679.db2.gz PHRLYCWESIWJIC-RFGFWPKPSA-N 0 0 319.471 0.755 10 0 DCAERN CC[C@@H]1[C@H](CO)CCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000408470426 287363303 /nfs/dbraw/zinc/36/33/03/287363303.db2.gz UVENXMCUPKESJO-XDQVBPFNSA-N 0 0 322.405 0.781 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1(C(=O)N(C)C)CC1)CC2 ZINC000408272343 417150792 /nfs/dbraw/zinc/15/07/92/417150792.db2.gz CEBRVDQPGVQIIL-OLZOCXBDSA-N 0 0 324.421 0.633 10 0 DCAERN CCc1nnc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)s1 ZINC000408256417 417150940 /nfs/dbraw/zinc/15/09/40/417150940.db2.gz LMBMFTJDPUENHV-CYBMUJFWSA-N 0 0 309.395 1.235 10 0 DCAERN O=C(NC[C@@H]1Cc2ccccc2O1)N1CCN2CCOC[C@@H]2C1 ZINC000568566536 417151239 /nfs/dbraw/zinc/15/12/39/417151239.db2.gz MAYHQOVSFQQPBS-GJZGRUSLSA-N 0 0 317.389 0.716 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCCC1 ZINC000408260408 417152555 /nfs/dbraw/zinc/15/25/55/417152555.db2.gz FNYMBHNYHRUTEC-GHMZBOCLSA-N 0 0 314.407 0.081 10 0 DCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408311432 417154794 /nfs/dbraw/zinc/15/47/94/417154794.db2.gz YWILKSJRXHZEBL-NYGKMJBOSA-N 0 0 300.302 0.216 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)[C@](C)(O)C(C)C)CC2)n1 ZINC000408301910 417154976 /nfs/dbraw/zinc/15/49/76/417154976.db2.gz WFWIJGDUTXYXDG-XHDPSFHLSA-N 0 0 310.398 0.990 10 0 DCAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)CCNS(C)(=O)=O ZINC000526931547 417192532 /nfs/dbraw/zinc/19/25/32/417192532.db2.gz JZIIXULITKATEB-JGVFFNPUSA-N 0 0 302.318 0.725 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H](Cn2ccnn2)C1)C1CCCC1 ZINC000617265909 417192819 /nfs/dbraw/zinc/19/28/19/417192819.db2.gz IKMLIGDUJRODEX-DZGCQCFKSA-N 0 0 319.409 0.822 10 0 DCAERN CC[C@]1(O)CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000632666992 417222411 /nfs/dbraw/zinc/22/24/11/417222411.db2.gz JAXAWGSTBLVJJU-NSHDSACASA-N 0 0 307.803 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1C ZINC000569278509 417232727 /nfs/dbraw/zinc/23/27/27/417232727.db2.gz CDYYDDSCACQFMA-BDAKNGLRSA-N 0 0 302.334 0.113 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccoc1 ZINC000643704579 417311178 /nfs/dbraw/zinc/31/11/78/417311178.db2.gz VMPCHGJLWBIRCJ-LBPRGKRZSA-N 0 0 302.352 0.195 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC1CC(F)(F)C1 ZINC000451244429 417320807 /nfs/dbraw/zinc/32/08/07/417320807.db2.gz MXXBQJWLCIJNPK-IUCAKERBSA-N 0 0 320.336 0.994 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)N[C@H]2CC[C@H](OC)C2)CC1 ZINC000451449573 417347691 /nfs/dbraw/zinc/34/76/91/417347691.db2.gz HLAOHXJITDDAIY-QWRGUYRKSA-N 0 0 305.396 0.959 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000633267537 417398666 /nfs/dbraw/zinc/39/86/66/417398666.db2.gz QFLHBWXPWPYKPU-XGUBFFRZSA-N 0 0 310.394 0.386 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)CC2CCC2)CC12COC2 ZINC000451620387 417366161 /nfs/dbraw/zinc/36/61/61/417366161.db2.gz OADMMRIETSARTL-GFCCVEGCSA-N 0 0 317.407 0.628 10 0 DCAERN NC(=O)C[C@@]1(O)CCCN(Cc2ncn(-c3ccccc3)n2)C1 ZINC000643806734 417378841 /nfs/dbraw/zinc/37/88/41/417378841.db2.gz IEBYPEYSECMSNS-INIZCTEOSA-N 0 0 315.377 0.470 10 0 DCAERN NC(=O)N[C@H](CC(=O)NC1(c2nnn[n-]2)CC1)c1ccccc1 ZINC000574951451 417496268 /nfs/dbraw/zinc/49/62/68/417496268.db2.gz WRJHWSJIXAGOBC-SNVBAGLBSA-N 0 0 315.337 0.105 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000633465838 417435213 /nfs/dbraw/zinc/43/52/13/417435213.db2.gz RQXXFSXLUXFMEX-WFASDCNBSA-N 0 0 317.345 0.861 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000571235116 417437484 /nfs/dbraw/zinc/43/74/84/417437484.db2.gz KNJAGAIGNPKUPZ-DGCLKSJQSA-N 0 0 316.361 0.940 10 0 DCAERN O=C(Nc1ccc2nccn2c1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000571235117 417439393 /nfs/dbraw/zinc/43/93/93/417439393.db2.gz KNJAGAIGNPKUPZ-WCQYABFASA-N 0 0 316.361 0.940 10 0 DCAERN CC1(C)C[C@H](C(=O)NCCCCS(N)(=O)=O)C(C)(C)O1 ZINC000627532702 417452578 /nfs/dbraw/zinc/45/25/78/417452578.db2.gz OKGRSPAJNCPGFS-SNVBAGLBSA-N 0 0 306.428 0.765 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2ccc(C)n2C)CC12COC2 ZINC000452221508 417460629 /nfs/dbraw/zinc/46/06/29/417460629.db2.gz IUSBNESVNCCJLJ-GFCCVEGCSA-N 0 0 306.362 0.985 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CCOCC(F)F)CC12COC2 ZINC000452261020 417462700 /nfs/dbraw/zinc/46/27/00/417462700.db2.gz LAQDNVQGSFUAJI-JTQLQIEISA-N 0 0 321.320 0.696 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)s1 ZINC000453925552 417538280 /nfs/dbraw/zinc/53/82/80/417538280.db2.gz WQXHKNCDIQZEOI-ZETCQYMHSA-N 0 0 310.379 0.299 10 0 DCAERN CS(=O)(=O)Cc1ncc(I)c(F)n1 ZINC000575597893 417538839 /nfs/dbraw/zinc/53/88/39/417538839.db2.gz HVKLZZPXBJQEPP-UHFFFAOYSA-N 0 0 316.095 0.765 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000633867581 417500384 /nfs/dbraw/zinc/50/03/84/417500384.db2.gz MRYZMCPMRVUAQE-GHMZBOCLSA-N 0 0 302.330 0.654 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000633865464 417501746 /nfs/dbraw/zinc/50/17/46/417501746.db2.gz QLXMCHUCACVSMW-VGMNWLOBSA-N 0 0 311.304 0.872 10 0 DCAERN CCN1C[C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)CC1=O ZINC000452963381 417513187 /nfs/dbraw/zinc/51/31/87/417513187.db2.gz WYNCZQHWNNEOAX-DGCLKSJQSA-N 0 0 303.362 0.542 10 0 DCAERN C[C@]1(O)CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000575147423 417518188 /nfs/dbraw/zinc/51/81/88/417518188.db2.gz XTUYLFXDPCWXLN-HNNXBMFYSA-N 0 0 302.334 0.646 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)Nc2cnn3c2CCCC3)CC1 ZINC000634578682 417519894 /nfs/dbraw/zinc/51/98/94/417519894.db2.gz NQYQYVPVNBCRLK-GFCCVEGCSA-N 0 0 319.409 0.711 10 0 DCAERN CC[C@H](C)NC(=O)CS(=O)(=O)c1nc(C(=O)OC)cs1 ZINC000453030251 417519950 /nfs/dbraw/zinc/51/99/50/417519950.db2.gz FTNWATPZGPNVBE-ZETCQYMHSA-N 0 0 320.392 0.618 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)NCC(=O)N2CCCO2)c1 ZINC000627880380 417522650 /nfs/dbraw/zinc/52/26/50/417522650.db2.gz FPDOQZXVQMZDIG-GFCCVEGCSA-N 0 0 320.345 0.937 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 ZINC000530521350 417582755 /nfs/dbraw/zinc/58/27/55/417582755.db2.gz QKEOKYARCDUNPM-NXEZZACHSA-N 0 0 315.395 0.562 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](CC)C(F)F ZINC000454874642 417583369 /nfs/dbraw/zinc/58/33/69/417583369.db2.gz LINCZALLIYVTNX-XHNCKOQMSA-N 0 0 323.340 0.786 10 0 DCAERN CCN1CCO[C@@H](C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000530810373 417589554 /nfs/dbraw/zinc/58/95/54/417589554.db2.gz XBDJSVHKPLAZIH-WDEREUQCSA-N 0 0 309.332 0.460 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCCO2)CC12COC2 ZINC000455263582 417598282 /nfs/dbraw/zinc/59/82/82/417598282.db2.gz AUVTTZJGZTZMJH-NEPJUHHUSA-N 0 0 312.366 0.387 10 0 DCAERN CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000644507440 417605605 /nfs/dbraw/zinc/60/56/05/417605605.db2.gz ZSZINONJSWYLCD-VWYCJHECSA-N 0 0 306.370 0.380 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000530358859 417571607 /nfs/dbraw/zinc/57/16/07/417571607.db2.gz QZWJMMVYYIZMPP-QWHCGFSZSA-N 0 0 307.398 0.804 10 0 DCAERN Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1cncnc1 ZINC000440221359 287394638 /nfs/dbraw/zinc/39/46/38/287394638.db2.gz YGIPQRFSMLHYEA-ZDUSSCGKSA-N 0 0 314.349 0.902 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@H]2CCCS2(=O)=O)n1 ZINC000579363373 417691154 /nfs/dbraw/zinc/69/11/54/417691154.db2.gz POCLCRSWBONOGC-VIFPVBQESA-N 0 0 315.399 0.732 10 0 DCAERN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000456357125 417645045 /nfs/dbraw/zinc/64/50/45/417645045.db2.gz URECZWOEWIGEBT-CYBMUJFWSA-N 0 0 320.393 0.955 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)C1 ZINC000456662455 417660126 /nfs/dbraw/zinc/66/01/26/417660126.db2.gz SUFFCIZKKLKRFQ-SNVBAGLBSA-N 0 0 321.343 0.807 10 0 DCAERN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000532381137 417676724 /nfs/dbraw/zinc/67/67/24/417676724.db2.gz CUHVHXSZUYTDFA-LLVKDONJSA-N 0 0 309.370 0.644 10 0 DCAERN CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458124828 417722727 /nfs/dbraw/zinc/72/27/27/417722727.db2.gz AQLXBABGADLLAE-HIFRSBDPSA-N 0 0 318.377 0.921 10 0 DCAERN Cc1ccccc1OCCCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458154844 417725128 /nfs/dbraw/zinc/72/51/28/417725128.db2.gz ZQMCYIBTTHPVCY-AWEZNQCLSA-N 0 0 318.377 0.923 10 0 DCAERN COc1cc(Cl)ccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458148835 417725518 /nfs/dbraw/zinc/72/55/18/417725518.db2.gz UHJJDIDGHHNFJL-JTQLQIEISA-N 0 0 310.741 0.731 10 0 DCAERN COCc1nc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)cs1 ZINC000657605924 417881521 /nfs/dbraw/zinc/88/15/21/417881521.db2.gz VKCFPQHTLLUZSU-ZJUUUORDSA-N 0 0 306.409 0.191 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN(CCC(=O)N(C)C)CC2)o1 ZINC000446185884 287437279 /nfs/dbraw/zinc/43/72/79/287437279.db2.gz YUPYVJNUTZFYQI-UHFFFAOYSA-N 0 0 321.377 0.718 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000654920034 418203199 /nfs/dbraw/zinc/20/31/99/418203199.db2.gz IEWLVWQOWANISQ-SGMGOOAPSA-N 0 0 301.408 0.717 10 0 DCAERN CCn1nc(C)c(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)c1C ZINC000179199126 545897580 /nfs/dbraw/zinc/89/75/80/545897580.db2.gz DWBNJDRCXDCAHY-LLVKDONJSA-N 0 0 323.397 0.345 10 0 DCAERN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCCn1ccnn1)CS2 ZINC000182899723 545906451 /nfs/dbraw/zinc/90/64/51/545906451.db2.gz ATDOAWQATZJIDU-ZWNOBZJWSA-N 0 0 309.395 0.238 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(CC)C(C)C ZINC000487344585 287535152 /nfs/dbraw/zinc/53/51/52/287535152.db2.gz WOZYZYXHMIMYLE-MNOVXSKESA-N 0 0 301.387 0.883 10 0 DCAERN Cn1cc([C@H](NC(=O)[C@@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000487746638 287540650 /nfs/dbraw/zinc/54/06/50/287540650.db2.gz DYXYPEDNGKPLFF-XCBNKYQSSA-N 0 0 304.272 0.666 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(CC)c1 ZINC000488153963 287546869 /nfs/dbraw/zinc/54/68/69/287546869.db2.gz UGQPXPLZXMERRZ-VHSXEESVSA-N 0 0 310.354 0.089 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Nc2cnns2)CC1 ZINC000494686983 287579100 /nfs/dbraw/zinc/57/91/00/287579100.db2.gz AZUQRYQELLVYEB-UHFFFAOYSA-N 0 0 313.383 0.639 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC000299739127 229372640 /nfs/dbraw/zinc/37/26/40/229372640.db2.gz KWESRHSRSSPEQI-NWDGAFQWSA-N 0 0 321.381 0.500 10 0 DCAERN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H](O)C(N)=O)CC1 ZINC000299751236 229396065 /nfs/dbraw/zinc/39/60/65/229396065.db2.gz PZWIRJUGGRBWQE-HUUCEWRRSA-N 0 0 319.405 0.374 10 0 DCAERN COCCN(C(=O)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000067510332 261106501 /nfs/dbraw/zinc/10/65/01/261106501.db2.gz UFMGYPWIPZGXSB-AWEZNQCLSA-N 0 0 311.403 0.891 10 0 DCAERN Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)n(C)n1 ZINC000074685472 261106520 /nfs/dbraw/zinc/10/65/20/261106520.db2.gz NPGJPZYVZXWCMZ-UHFFFAOYSA-N 0 0 308.363 0.306 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000106174198 261107939 /nfs/dbraw/zinc/10/79/39/261107939.db2.gz HQETURCUXRSSDM-LLVKDONJSA-N 0 0 317.401 0.024 10 0 DCAERN O=C(CNC(=O)Nc1cnn(-c2ncccn2)c1)NCC1CC1 ZINC000181755158 261114999 /nfs/dbraw/zinc/11/49/99/261114999.db2.gz LCYUJUAZHIPYHS-UHFFFAOYSA-N 0 0 315.337 0.310 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccccc1-n1ccnn1)C(C)C ZINC000183173469 261116639 /nfs/dbraw/zinc/11/66/39/261116639.db2.gz RZBZONJIJPCULF-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)c2ccco2)C[C@H](C)O1 ZINC000184278788 261118470 /nfs/dbraw/zinc/11/84/70/261118470.db2.gz LUIVCOWDDLEJKL-TUAOUCFPSA-N 0 0 318.395 0.647 10 0 DCAERN CCC1(CC)CN(CCC(=O)NCC(=O)OC)CC[S@]1=O ZINC000185238647 261119499 /nfs/dbraw/zinc/11/94/99/261119499.db2.gz YHTIXICEUJZQMS-OAQYLSRUSA-N 0 0 318.439 0.289 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCN(C)CC2)CC[S@]1=O ZINC000185230650 261119603 /nfs/dbraw/zinc/11/96/03/261119603.db2.gz TZXQRSAMIQSNRR-OAQYLSRUSA-N 0 0 315.483 0.384 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000186146418 261120955 /nfs/dbraw/zinc/12/09/55/261120955.db2.gz HXCISXYZTUSBEV-SNVBAGLBSA-N 0 0 304.350 0.401 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ncn(-c3ccccc3)n2)c1 ZINC000186683210 261121291 /nfs/dbraw/zinc/12/12/91/261121291.db2.gz YCFDKKNCFUBJJI-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN C[C@H](NC(=O)N1CCN(C)C(=O)[C@@H]1C)c1nnc2n1CCCC2 ZINC000187204693 261122974 /nfs/dbraw/zinc/12/29/74/261122974.db2.gz UKDKSGRFHWTKPC-QWRGUYRKSA-N 0 0 320.397 0.548 10 0 DCAERN O=C(NCCc1nccs1)c1cc2c(cn1)nc[nH]c2=O ZINC000187296757 261123829 /nfs/dbraw/zinc/12/38/29/261123829.db2.gz GMBMJPBGJCQBCM-UHFFFAOYSA-N 0 0 301.331 0.747 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)NCc1cc(C(N)=O)co1 ZINC000187892889 261125126 /nfs/dbraw/zinc/12/51/26/261125126.db2.gz SDPFCFTTXGGESJ-LBPRGKRZSA-N 0 0 307.350 0.786 10 0 DCAERN CO[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)CC[C@H]1C ZINC000188002002 261125704 /nfs/dbraw/zinc/12/57/04/261125704.db2.gz PSYYDIJMGVVBST-MWLCHTKSSA-N 0 0 311.411 0.984 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000188438380 261127912 /nfs/dbraw/zinc/12/79/12/261127912.db2.gz GHGRBDXBIXNWSX-QMMMGPOBSA-N 0 0 316.404 0.454 10 0 DCAERN CCc1noc([C@@H](C)N2CCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000189190208 261130619 /nfs/dbraw/zinc/13/06/19/261130619.db2.gz UDPBYXMGBVPLBH-GHMZBOCLSA-N 0 0 320.401 0.595 10 0 DCAERN CO[C@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1C ZINC000189318008 261131740 /nfs/dbraw/zinc/13/17/40/261131740.db2.gz IXFOOHVQZYLEFY-BDAKNGLRSA-N 0 0 311.304 0.731 10 0 DCAERN CCOCCOCCN(C)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000191061791 261136259 /nfs/dbraw/zinc/13/62/59/261136259.db2.gz AKYITPXZXVNLBL-ZDUSSCGKSA-N 0 0 308.444 0.948 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCn2cccn2)C1 ZINC000192380109 261138440 /nfs/dbraw/zinc/13/84/40/261138440.db2.gz MLWKILUYULZGON-NWDGAFQWSA-N 0 0 320.353 0.746 10 0 DCAERN O=C(CCCNC(=O)NCCCN1CCCC1=O)NC1CC1 ZINC000192890228 261139490 /nfs/dbraw/zinc/13/94/90/261139490.db2.gz FWVMYKKFGWAAAA-UHFFFAOYSA-N 0 0 310.398 0.357 10 0 DCAERN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CNC(=O)C1 ZINC000194784828 261148160 /nfs/dbraw/zinc/14/81/60/261148160.db2.gz FOSOPNHXSHZZPL-JTQLQIEISA-N 0 0 312.333 0.750 10 0 DCAERN COc1ccc(CCCNC(=O)[C@@H]2CNC(=O)C2)cc1OC ZINC000194829103 261148439 /nfs/dbraw/zinc/14/84/39/261148439.db2.gz BLDROQDYFQIYMN-LBPRGKRZSA-N 0 0 306.362 0.889 10 0 DCAERN CCCn1cnc2c1c(=O)n(C[C@@H](O)COC(C)C)c(=O)n2C ZINC000194973948 261149747 /nfs/dbraw/zinc/14/97/47/261149747.db2.gz QPJJILLDHNTBCY-LLVKDONJSA-N 0 0 324.381 0.093 10 0 DCAERN CCc1onc(C)c1C(=O)NCCS(=O)(=O)NC(C)C ZINC000195220968 261150538 /nfs/dbraw/zinc/15/05/38/261150538.db2.gz QHGURPJRCRJHMT-UHFFFAOYSA-N 0 0 303.384 0.603 10 0 DCAERN CC(C)NS(=O)(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000195206274 261150542 /nfs/dbraw/zinc/15/05/42/261150542.db2.gz JECALYMICLJHMC-UHFFFAOYSA-N 0 0 311.363 0.018 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2cnc3sccc3c2=O)C[C@@H]1O ZINC000221885898 261151772 /nfs/dbraw/zinc/15/17/72/261151772.db2.gz WQZZLTALJGGPPQ-ONGXEEELSA-N 0 0 307.375 0.687 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(CCO)[C@@H](C)C2)C1 ZINC000250092261 261166830 /nfs/dbraw/zinc/16/68/30/261166830.db2.gz QJDSOMHYJXEEAH-BFHYXJOUSA-N 0 0 312.410 0.491 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000316855138 261175589 /nfs/dbraw/zinc/17/55/89/261175589.db2.gz IDSIFYFXFLRQLM-IACUBPJLSA-N 0 0 324.402 0.901 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 ZINC000354694602 261260802 /nfs/dbraw/zinc/26/08/02/261260802.db2.gz AAORRGIOYDJJFM-UHFFFAOYSA-N 0 0 313.317 0.277 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2cncc(F)c2)[C@@H](C)C1 ZINC000357198221 261514329 /nfs/dbraw/zinc/51/43/29/261514329.db2.gz BIYOBYNHVVZBTM-VIFPVBQESA-N 0 0 301.343 0.462 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000357365939 261532431 /nfs/dbraw/zinc/53/24/31/261532431.db2.gz BUSWCNQCUGHAFC-ZACQAIPSSA-N 0 0 316.401 0.984 10 0 DCAERN COC[C@@H](C)CS(=O)(=O)NC[C@H](CO)c1ccccc1 ZINC000357541666 261553227 /nfs/dbraw/zinc/55/32/27/261553227.db2.gz JFJVWQQVWGHCBF-TZMCWYRMSA-N 0 0 301.408 0.964 10 0 DCAERN CC(=O)N1CCN(C(=O)CCS(=O)(=O)CC(C)C)[C@@H](C)C1 ZINC000357915297 261600678 /nfs/dbraw/zinc/60/06/78/261600678.db2.gz PYVIYSCVUVDPGV-LBPRGKRZSA-N 0 0 318.439 0.527 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000358447022 261669853 /nfs/dbraw/zinc/66/98/53/261669853.db2.gz PHKCEQLVRLJDOA-SNVBAGLBSA-N 0 0 312.320 0.987 10 0 DCAERN COC(=O)[C@@H](NCC(=O)N(C)CCc1ccccn1)C1CC1 ZINC000358852593 261707019 /nfs/dbraw/zinc/70/70/19/261707019.db2.gz ODKOFJORIZSGPD-HNNXBMFYSA-N 0 0 305.378 0.624 10 0 DCAERN OCc1ccnc(NCc2cccc(N3CCOCC3)n2)n1 ZINC000359680099 261759249 /nfs/dbraw/zinc/75/92/49/261759249.db2.gz YJOHFFCSHNNEON-UHFFFAOYSA-N 0 0 301.350 0.813 10 0 DCAERN CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000361901393 261974667 /nfs/dbraw/zinc/97/46/67/261974667.db2.gz LBZDDXBVYHTEKT-SNVBAGLBSA-N 0 0 324.381 0.940 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000362126121 262002262 /nfs/dbraw/zinc/00/22/62/262002262.db2.gz QSFHVBFEUIGXMF-QWRGUYRKSA-N 0 0 308.382 0.711 10 0 DCAERN CC(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000362229048 262012366 /nfs/dbraw/zinc/01/23/66/262012366.db2.gz BDJTZTOLLCQFOR-ZLKJLUDKSA-N 0 0 307.394 0.370 10 0 DCAERN C[C@@H](O)C[C@H]1COCCN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000362282147 262018725 /nfs/dbraw/zinc/01/87/25/262018725.db2.gz QOCIXNLPYWZJTQ-YPMHNXCESA-N 0 0 322.361 0.826 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)NCC(=O)NCC(F)F)s1 ZINC000362316271 262021820 /nfs/dbraw/zinc/02/18/20/262021820.db2.gz CFMJEVAPOOMBOU-UHFFFAOYSA-N 0 0 320.321 0.196 10 0 DCAERN COc1ncncc1NC(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000362323178 262022925 /nfs/dbraw/zinc/02/29/25/262022925.db2.gz NMIHGWCIOWSKCC-UHFFFAOYSA-N 0 0 318.337 0.919 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccccn1 ZINC000362463236 262037690 /nfs/dbraw/zinc/03/76/90/262037690.db2.gz GJSDQMSYBUQTTB-ZJUUUORDSA-N 0 0 308.338 0.659 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccnc1 ZINC000362466962 262038755 /nfs/dbraw/zinc/03/87/55/262038755.db2.gz RBKKZQIPHBKGJO-ZJUUUORDSA-N 0 0 308.338 0.659 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000362477386 262039444 /nfs/dbraw/zinc/03/94/44/262039444.db2.gz UBDLNJNLHFAXGV-FPMFFAJLSA-N 0 0 317.389 0.965 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000362566956 262047548 /nfs/dbraw/zinc/04/75/48/262047548.db2.gz GXGVIMMUOJDKNA-AWEZNQCLSA-N 0 0 313.442 0.454 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2[nH]ccc21 ZINC000362661112 262057356 /nfs/dbraw/zinc/05/73/56/262057356.db2.gz BVPXTMDYAVEXLJ-DTWKUNHWSA-N 0 0 305.338 0.826 10 0 DCAERN O=C(Cn1ncc2ccccc21)N1CCN([C@H]2CCOC2)CC1 ZINC000363917630 262136727 /nfs/dbraw/zinc/13/67/27/262136727.db2.gz FNZFXOUYLDRATR-HNNXBMFYSA-N 0 0 314.389 0.969 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000374661307 262159033 /nfs/dbraw/zinc/15/90/33/262159033.db2.gz VJZGICFSFDUSPS-NWDGAFQWSA-N 0 0 302.371 0.369 10 0 DCAERN CCc1ncc(S(=O)(=O)NCC2(CC(N)=O)CC2)s1 ZINC000420698822 262380934 /nfs/dbraw/zinc/38/09/34/262380934.db2.gz AORHPYZWFPGNJI-UHFFFAOYSA-N 0 0 303.409 0.639 10 0 DCAERN CCOC(=O)[C@@H](NS(=O)(=O)CCCOC)[C@@H]1CCCOC1 ZINC000358499652 271052740 /nfs/dbraw/zinc/05/27/40/271052740.db2.gz LPUAFTIAIXQKJS-NEPJUHHUSA-N 0 0 323.411 0.301 10 0 DCAERN COc1cc(NC(=O)C(=O)NCCc2ccccc2O)ncn1 ZINC000358967194 271082964 /nfs/dbraw/zinc/08/29/64/271082964.db2.gz WZTDUHYJDMDTHA-UHFFFAOYSA-N 0 0 316.317 0.488 10 0 DCAERN NC(=O)CCNC(=O)c1ccc(F)c(NCc2ncccn2)c1 ZINC000359017188 271089304 /nfs/dbraw/zinc/08/93/04/271089304.db2.gz JUCNLNITAOTZJZ-UHFFFAOYSA-N 0 0 317.324 0.833 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NC[C@@H](CO)C1CC1 ZINC000359012759 271090195 /nfs/dbraw/zinc/09/01/95/271090195.db2.gz YEVPRURNDTZSKO-NSHDSACASA-N 0 0 310.398 0.809 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCOC[C@@H](C)C2)n1 ZINC000359222232 271106802 /nfs/dbraw/zinc/10/68/02/271106802.db2.gz DAUCJXRGCPUIII-LBPRGKRZSA-N 0 0 321.377 0.244 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000359393898 271113372 /nfs/dbraw/zinc/11/33/72/271113372.db2.gz XIOSGZORRBXXPW-IINYFYTJSA-N 0 0 319.361 0.447 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000359593914 271127938 /nfs/dbraw/zinc/12/79/38/271127938.db2.gz JGQLCCUZABVTKZ-CQSZACIVSA-N 0 0 303.362 0.791 10 0 DCAERN Cc1cnn([C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C2)c1 ZINC000359597774 271128630 /nfs/dbraw/zinc/12/86/30/271128630.db2.gz JKXWZWFGHMLRLY-LBPRGKRZSA-N 0 0 301.350 0.716 10 0 DCAERN CN(CCCO)C(=O)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000359625794 271134408 /nfs/dbraw/zinc/13/44/08/271134408.db2.gz RWKRDERPDMRCAE-AWEZNQCLSA-N 0 0 322.430 0.974 10 0 DCAERN CC(C)OCc1nc([C@H](C)NC(=O)COc2cnn(C)c2)no1 ZINC000359627560 271135636 /nfs/dbraw/zinc/13/56/36/271135636.db2.gz XRCYECZDCDBTNI-JTQLQIEISA-N 0 0 323.353 0.984 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000359865597 271148965 /nfs/dbraw/zinc/14/89/65/271148965.db2.gz BYMQSJWRMQPRIB-UHFFFAOYSA-N 0 0 307.394 0.516 10 0 DCAERN O=C(NCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000361039375 271173182 /nfs/dbraw/zinc/17/31/82/271173182.db2.gz SFHAUHRQMYTLEV-GFCCVEGCSA-N 0 0 323.315 0.611 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)NCC(=O)N(C)C)CC2)n1 ZINC000363780416 271205865 /nfs/dbraw/zinc/20/58/65/271205865.db2.gz VSPXGIGYVYIOCC-UHFFFAOYSA-N 0 0 305.382 0.762 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399062435 271218874 /nfs/dbraw/zinc/21/88/74/271218874.db2.gz JJWZMRIPWHZWIY-SDDRHHMPSA-N 0 0 305.396 0.362 10 0 DCAERN COC[C@H](NC(=O)N1CCSC[C@@H]1CCO)[C@H]1CCCO1 ZINC000434853473 271545892 /nfs/dbraw/zinc/54/58/92/271545892.db2.gz ANWDPPFKFOEKMU-RWMBFGLXSA-N 0 0 318.439 0.690 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N3CCC[C@]3(C)C2=O)c1 ZINC000445943736 271751832 /nfs/dbraw/zinc/75/18/32/271751832.db2.gz KFHYINIZLXTOTK-CQSZACIVSA-N 0 0 323.374 0.916 10 0 DCAERN COc1cc(CC(=O)NC[C@H](O)C(F)(F)F)cc(OC)c1O ZINC000447497477 271789898 /nfs/dbraw/zinc/78/98/98/271789898.db2.gz GTWTWXUQOVNLAR-JTQLQIEISA-N 0 0 323.267 0.991 10 0 DCAERN CC1(C)C[C@H]1NC(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000448500688 271824410 /nfs/dbraw/zinc/82/44/10/271824410.db2.gz GALXXFURPJHQQK-WDEREUQCSA-N 0 0 306.366 0.773 10 0 DCAERN CCOC(=O)c1cc(C(=O)N2CCN3CCOC[C@@H]3C2)[nH]c1C ZINC000450588667 271875710 /nfs/dbraw/zinc/87/57/10/271875710.db2.gz VWXHTPMFXQWOIL-LBPRGKRZSA-N 0 0 321.377 0.656 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)CC12COC2 ZINC000452269275 271913550 /nfs/dbraw/zinc/91/35/50/271913550.db2.gz XNOYAVSDMDYHBU-NEPJUHHUSA-N 0 0 324.377 0.083 10 0 DCAERN CCOc1ncc(C)cc1NC(=O)C(=O)NC[C@@H](CO)C1CC1 ZINC000453750057 271930905 /nfs/dbraw/zinc/93/09/05/271930905.db2.gz AHKUXPNJXNUBNQ-LBPRGKRZSA-N 0 0 321.377 0.862 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)c1ccccc1OCC1CC1 ZINC000458141758 271944340 /nfs/dbraw/zinc/94/43/40/271944340.db2.gz ONOOOOUAISWYBM-CYBMUJFWSA-N 0 0 316.361 0.858 10 0 DCAERN Cc1cc(F)c(CC(=O)NC[C@H](O)Cn2ccnn2)cc1F ZINC000458148867 271944565 /nfs/dbraw/zinc/94/45/65/271944565.db2.gz ULONQDPKELPFCA-NSHDSACASA-N 0 0 310.304 0.585 10 0 DCAERN CCOc1cccc(CCNC(=O)N2C[C@H](CO)[C@H](O)C2)c1 ZINC000458562742 271963457 /nfs/dbraw/zinc/96/34/57/271963457.db2.gz DEFLGOVYKZIBLG-UKRRQHHQSA-N 0 0 308.378 0.622 10 0 DCAERN COc1ccc(C)cc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459289633 271990524 /nfs/dbraw/zinc/99/05/24/271990524.db2.gz KJZQULJVGGFZAS-LLVKDONJSA-N 0 0 305.338 0.778 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000459788639 272008462 /nfs/dbraw/zinc/00/84/62/272008462.db2.gz SCDCBXINUQYHJF-GJZGRUSLSA-N 0 0 320.389 0.235 10 0 DCAERN O=C(C(=O)N1CCCCCC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459796112 272009710 /nfs/dbraw/zinc/00/97/10/272009710.db2.gz PYJOFLLPFMSBMH-MRXNPFEDSA-N 0 0 307.394 0.518 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCSCC2)C1 ZINC000459907632 272018347 /nfs/dbraw/zinc/01/83/47/272018347.db2.gz LWWMBWXHDYLXRB-LLVKDONJSA-N 0 0 313.423 0.079 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000460007829 272024445 /nfs/dbraw/zinc/02/44/45/272024445.db2.gz IIYLOAULXQRWHX-GFCCVEGCSA-N 0 0 308.300 0.771 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000461280253 272026105 /nfs/dbraw/zinc/02/61/05/272026105.db2.gz VFQXPWPOKBGBTM-MDZLAQPJSA-N 0 0 322.409 0.735 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)C(N)=O ZINC000470101781 272027789 /nfs/dbraw/zinc/02/77/89/272027789.db2.gz URMNCEUUENGSOI-WXHSDQCUSA-N 0 0 321.377 0.959 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CO[C@H](C)c1nccn1C ZINC000487033902 272036529 /nfs/dbraw/zinc/03/65/29/272036529.db2.gz MQRUSNYALGEGKJ-CHWSQXEVSA-N 0 0 309.366 0.704 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CC1(OC)CCC1 ZINC000487168172 272039085 /nfs/dbraw/zinc/03/90/85/272039085.db2.gz VCTAZVXZKABWDZ-MNOVXSKESA-N 0 0 314.382 0.518 10 0 DCAERN COc1ccc(F)cc1CNC(=O)N(C)Cc1nnnn1C ZINC000488602327 272047012 /nfs/dbraw/zinc/04/70/12/272047012.db2.gz UIEDJZVLUCPIGR-UHFFFAOYSA-N 0 0 308.317 0.699 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccnc1 ZINC000491805051 272105523 /nfs/dbraw/zinc/10/55/23/272105523.db2.gz FSZMNXGGQCLMGA-WDEREUQCSA-N 0 0 322.365 0.337 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000494385103 272220603 /nfs/dbraw/zinc/22/06/03/272220603.db2.gz JLAQZUYCZHTYNL-ZDUSSCGKSA-N 0 0 309.410 0.319 10 0 DCAERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000494649995 272227751 /nfs/dbraw/zinc/22/77/51/272227751.db2.gz CMZAFHMWOVIKRK-NSHDSACASA-N 0 0 317.345 0.744 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(C(N)=O)nc2)[nH]n1 ZINC000495028215 272236133 /nfs/dbraw/zinc/23/61/33/272236133.db2.gz MKSGZRGDHCLEGG-SECBINFHSA-N 0 0 316.365 0.642 10 0 DCAERN CN1CC2(CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)C2)OC1=O ZINC000497171706 272372146 /nfs/dbraw/zinc/37/21/46/272372146.db2.gz WKAULKPAEWENMH-UHFFFAOYSA-N 0 0 316.317 0.556 10 0 DCAERN CN(C)c1ncn(-c2cccc(NC(=O)[C@H]3COCCO3)c2)n1 ZINC000526069372 272590032 /nfs/dbraw/zinc/59/00/32/272590032.db2.gz GZSZCQYTUFWZIJ-CYBMUJFWSA-N 0 0 317.349 0.687 10 0 DCAERN COc1ccccc1OCCNC(=O)N(C)Cc1nnnn1C ZINC000532314716 272784440 /nfs/dbraw/zinc/78/44/40/272784440.db2.gz SCEPTSFKXISMTP-UHFFFAOYSA-N 0 0 320.353 0.439 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)C(C)C ZINC000530058727 287739537 /nfs/dbraw/zinc/73/95/37/287739537.db2.gz FACCPSWFXUVYJG-FRRDWIJNSA-N 0 0 316.423 0.325 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccnc(-n2cncn2)c1 ZINC000155136868 274336147 /nfs/dbraw/zinc/33/61/47/274336147.db2.gz QSNUPNYLUGIJGJ-VXGBXAGGSA-N 0 0 300.366 0.827 10 0 DCAERN NC(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCC1 ZINC000530636931 287751918 /nfs/dbraw/zinc/75/19/18/287751918.db2.gz PKIKGVPPJQTMMM-GFCCVEGCSA-N 0 0 301.346 0.564 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000531550271 287780945 /nfs/dbraw/zinc/78/09/45/287780945.db2.gz OBEOJFSNWOSEDR-UHFFFAOYSA-N 0 0 302.338 0.487 10 0 DCAERN Cn1ccc(CNC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)n1 ZINC000535031730 287825371 /nfs/dbraw/zinc/82/53/71/287825371.db2.gz MOSIUKLQJPXUEM-LBPRGKRZSA-N 0 0 302.382 0.928 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](NC(N)=O)C1)CO2 ZINC000535707401 287837050 /nfs/dbraw/zinc/83/70/50/287837050.db2.gz GLMSPPPMJWSMFO-JQWIXIFHSA-N 0 0 304.350 0.881 10 0 DCAERN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000079036773 275594028 /nfs/dbraw/zinc/59/40/28/275594028.db2.gz PRALJJLLOCGVQJ-NWDGAFQWSA-N 0 0 305.444 0.449 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000247051698 276176979 /nfs/dbraw/zinc/17/69/79/276176979.db2.gz VJLNNCMAFXXQBJ-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)c3cnsn3)CC2)n1 ZINC000105820029 276384533 /nfs/dbraw/zinc/38/45/33/276384533.db2.gz YPNZMRWDAVFPRA-UHFFFAOYSA-N 0 0 320.378 0.689 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2)[C@H](C(=O)OC)C1 ZINC000540964630 287913146 /nfs/dbraw/zinc/91/31/46/287913146.db2.gz DJMUYBOOMXZAMN-YPMHNXCESA-N 0 0 321.329 0.959 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccn(C)n2)[C@]12CCCO2 ZINC000541842401 287928057 /nfs/dbraw/zinc/92/80/57/287928057.db2.gz KWUTXSFHMUNGAR-UMVBOHGHSA-N 0 0 308.382 0.946 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000408000281 277046124 /nfs/dbraw/zinc/04/61/24/277046124.db2.gz ZEDQIBURTHRSBO-OAGGEKHMSA-N 0 0 323.437 0.757 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N2CCC[C@H]2Cn2ccnn2)CC1=O ZINC000329027265 277159796 /nfs/dbraw/zinc/15/97/96/277159796.db2.gz OMGWECSPDDDZHM-OLZOCXBDSA-N 0 0 319.409 0.916 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1=O ZINC000332848680 277163263 /nfs/dbraw/zinc/16/32/63/277163263.db2.gz JSTQYPQCPIUXMP-NRWUCQMLSA-N 0 0 310.394 0.554 10 0 DCAERN CN1N=C(C(=O)N2Cc3cnnn3Cc3ccccc32)CCC1=O ZINC000189033702 277213638 /nfs/dbraw/zinc/21/36/38/277213638.db2.gz HXDGYXIRHFHRES-UHFFFAOYSA-N 0 0 324.344 0.781 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000172961634 277310099 /nfs/dbraw/zinc/31/00/99/277310099.db2.gz PQMFEWSFLYTNHZ-NSHDSACASA-N 0 0 312.391 0.954 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000543750386 287965741 /nfs/dbraw/zinc/96/57/41/287965741.db2.gz WINYVAUKLLFOBK-INIZCTEOSA-N 0 0 319.409 0.760 10 0 DCAERN O=C(N[C@@H]1CNC(=O)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000544538097 287976536 /nfs/dbraw/zinc/97/65/36/287976536.db2.gz DFMOHYDCRJWHSK-STQMWFEESA-N 0 0 317.345 0.422 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000364419343 277963730 /nfs/dbraw/zinc/96/37/30/277963730.db2.gz HOKYTVXZRMNMPN-ZDUSSCGKSA-N 0 0 308.382 0.415 10 0 DCAERN CC(=O)N(C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O)C1CC1 ZINC000333053421 277974830 /nfs/dbraw/zinc/97/48/30/277974830.db2.gz QVJGQYAMDZNDRU-CVEARBPZSA-N 0 0 321.421 0.999 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173869225 278024445 /nfs/dbraw/zinc/02/44/45/278024445.db2.gz GHANPIMNTYKAFI-VHDGCEQUSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1cccnc1-n1cccn1 ZINC000184399395 278062379 /nfs/dbraw/zinc/06/23/79/278062379.db2.gz BMLQSQAHSKSYLP-WCQYABFASA-N 0 0 322.390 0.864 10 0 DCAERN COc1ccnc(N2CCN([C@@H](C)CN3CCOCC3)CC2)n1 ZINC000091510984 278066021 /nfs/dbraw/zinc/06/60/21/278066021.db2.gz SDWVMTIOZHRWCA-AWEZNQCLSA-N 0 0 321.425 0.328 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2cccnc2-n2cccn2)C1 ZINC000189806712 278090183 /nfs/dbraw/zinc/09/01/83/278090183.db2.gz NELYUCMFLOKHBV-UHFFFAOYSA-N 0 0 314.349 0.297 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000190463434 278091858 /nfs/dbraw/zinc/09/18/58/278091858.db2.gz MDNBBJGGQXJCIJ-INIZCTEOSA-N 0 0 302.330 0.505 10 0 DCAERN O=C(Nc1nc2c(s1)CCC2)N[C@@H]1CCCN(CCO)C1=O ZINC000546033672 288013827 /nfs/dbraw/zinc/01/38/27/288013827.db2.gz GEVJVXNBIVUALZ-SNVBAGLBSA-N 0 0 324.406 0.737 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCN(c2ccnc(C)n2)CC1)C(C)C ZINC000546109288 288015174 /nfs/dbraw/zinc/01/51/74/288015174.db2.gz JHGPCCNDPMGCLI-HNNXBMFYSA-N 0 0 319.409 0.594 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000173989954 278158515 /nfs/dbraw/zinc/15/85/15/278158515.db2.gz XTWSXKWBWFVXCG-NEPJUHHUSA-N 0 0 310.423 0.877 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC000546696433 288026613 /nfs/dbraw/zinc/02/66/13/288026613.db2.gz YQEPEVPUTGRHLL-YUTCNCBUSA-N 0 0 306.362 0.007 10 0 DCAERN COC(=O)C1(NC(=O)CSCCOCCO)CCCCC1 ZINC000547302713 288037254 /nfs/dbraw/zinc/03/72/54/288037254.db2.gz XYEOOPJISXFULE-UHFFFAOYSA-N 0 0 319.423 0.721 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC2)CC1 ZINC000124452882 278494454 /nfs/dbraw/zinc/49/44/54/278494454.db2.gz GXVRYHCBVBJLQK-LBPRGKRZSA-N 0 0 317.455 0.257 10 0 DCAERN COc1cc(CNc2ccncc2C#N)ccc1OCC(N)=O ZINC000547503358 288053294 /nfs/dbraw/zinc/05/32/94/288053294.db2.gz PFUVLNATJPRZJB-UHFFFAOYSA-N 0 0 312.329 0.860 10 0 DCAERN NC(=O)C1(C(=O)NCc2cccc(N3CCOCC3)n2)CCC1 ZINC000547522362 288054776 /nfs/dbraw/zinc/05/47/76/288054776.db2.gz JYNNZUWQDZIPPJ-UHFFFAOYSA-N 0 0 318.377 0.190 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)cc1 ZINC000547642974 288064360 /nfs/dbraw/zinc/06/43/60/288064360.db2.gz SRHBCWORFJRXPD-CQSZACIVSA-N 0 0 324.402 0.815 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(CCO)CC1 ZINC000547735720 288073965 /nfs/dbraw/zinc/07/39/65/288073965.db2.gz KKZMUNNDQHLOSY-INIZCTEOSA-N 0 0 308.378 0.220 10 0 DCAERN Cc1ccc2c(c1O)N[C@@H](O)[C@H]1CC(/C=C/C(N)=O)=CN1C2=O ZINC000002037581 278894283 /nfs/dbraw/zinc/89/42/83/278894283.db2.gz VGQOVCHZGQWAOI-ZGZVNVQQSA-N 0 0 315.329 0.584 10 0 in-man DCAERN C[C@@H]1CN(C(=O)[C@@](C)(O)Cn2ccccc2=O)C[C@H](C)S1 ZINC000548061400 288107607 /nfs/dbraw/zinc/10/76/07/288107607.db2.gz RVNPGDBTULGHFN-ZOWXZIJZSA-N 0 0 310.419 0.952 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000548064363 288108329 /nfs/dbraw/zinc/10/83/29/288108329.db2.gz DOWGQZFUDMDWCV-ZQIUZPCESA-N 0 0 320.389 0.673 10 0 DCAERN C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)[C@@H]1CCCOC1 ZINC000548064080 288108412 /nfs/dbraw/zinc/10/84/12/288108412.db2.gz QRDBIBMNYLIBCU-ZENOOKHLSA-N 0 0 308.378 0.531 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1=O ZINC000408381193 279549525 /nfs/dbraw/zinc/54/95/25/279549525.db2.gz IAWMQOQZUNRDNZ-CABZTGNLSA-N 0 0 323.315 0.704 10 0 DCAERN C[C@H](c1nnnn1C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000189157562 279623676 /nfs/dbraw/zinc/62/36/76/279623676.db2.gz NTSGOUIJUFZCGD-HIFRSBDPSA-N 0 0 316.409 0.622 10 0 DCAERN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000548636579 288161839 /nfs/dbraw/zinc/16/18/39/288161839.db2.gz UCOKRRYZFAGAML-HZPDHXFCSA-N 0 0 314.385 0.943 10 0 DCAERN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cn2cccnc2n1 ZINC000548641543 288162843 /nfs/dbraw/zinc/16/28/43/288162843.db2.gz IJJRCEMEDRANKI-LBPRGKRZSA-N 0 0 301.350 0.812 10 0 DCAERN COc1ccc2c(c1)CCCN(C(=O)CN1CCOCC1=O)C2 ZINC000548716491 288170243 /nfs/dbraw/zinc/17/02/43/288170243.db2.gz BWJWBYQNTPRHTG-UHFFFAOYSA-N 0 0 318.373 0.829 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cccc(-n2cccn2)c1 ZINC000548716606 288170280 /nfs/dbraw/zinc/17/02/80/288170280.db2.gz OIJONBODNCBFLK-UHFFFAOYSA-N 0 0 300.318 0.670 10 0 DCAERN CCC(CC)[C@H]1C[C@H](NC(=O)CN2CCOCC2=O)CCO1 ZINC000548720692 288170594 /nfs/dbraw/zinc/17/05/94/288170594.db2.gz INLRZEGUZGKVLL-ZIAGYGMSSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1c(C(=O)N2CC(=O)N(C3CC3)C2)cccc1S(N)(=O)=O ZINC000548730180 288171201 /nfs/dbraw/zinc/17/12/01/288171201.db2.gz UBKOWVPMAUOOEF-UHFFFAOYSA-N 0 0 323.374 0.047 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc2c1OCC(=O)N2 ZINC000112654621 279923385 /nfs/dbraw/zinc/92/33/85/279923385.db2.gz QQGHZEXMQAZMKH-SECBINFHSA-N 0 0 313.317 0.354 10 0 DCAERN COCCOc1ccc(CNC(=O)COc2cnn(C)c2)cn1 ZINC000548847605 288182042 /nfs/dbraw/zinc/18/20/42/288182042.db2.gz FBMHOGISHGTXSD-UHFFFAOYSA-N 0 0 320.349 0.536 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(Cc3ccncc3)CC2)cn1 ZINC000548843364 288181572 /nfs/dbraw/zinc/18/15/72/288181572.db2.gz YPNIOELMRKHXGG-UHFFFAOYSA-N 0 0 315.377 0.538 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)CCS1(=O)=O ZINC000408204042 288245546 /nfs/dbraw/zinc/24/55/46/288245546.db2.gz SROZGSKOUBOYEA-MRVPVSSYSA-N 0 0 308.356 0.028 10 0 DCAERN Cc1cc(CCNS(=O)(=O)c2cnn(CC(F)F)c2)on1 ZINC000552000446 288257635 /nfs/dbraw/zinc/25/76/35/288257635.db2.gz JOAQBMJGQUGYIU-UHFFFAOYSA-N 0 0 320.321 0.966 10 0 DCAERN O=C(NC1(c2nnn[n-]2)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000552492597 288276333 /nfs/dbraw/zinc/27/63/33/288276333.db2.gz RQKFIJLNRCQMGU-JTQLQIEISA-N 0 0 307.741 0.735 10 0 DCAERN COCC[C@@H]1NC(=O)N(c2cccc(N3CCOCC3)c2)C1=O ZINC000553123227 288287836 /nfs/dbraw/zinc/28/78/36/288287836.db2.gz SZXFAFMBBPMQST-AWEZNQCLSA-N 0 0 319.361 0.985 10 0 DCAERN Cc1cc(CCNC(=O)Cn2nc3ccccn3c2=O)on1 ZINC000553236674 288292238 /nfs/dbraw/zinc/29/22/38/288292238.db2.gz ZMGKVPBHPSCDPM-UHFFFAOYSA-N 0 0 301.306 0.151 10 0 DCAERN CC1(C)CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](CO)O1 ZINC000163843551 281243152 /nfs/dbraw/zinc/24/31/52/281243152.db2.gz XJOUARHNFFRKKX-STQMWFEESA-N 0 0 320.455 0.130 10 0 DCAERN CC(C)(C(=O)N[C@H]1CCN(CC(F)(F)F)C1)S(C)(=O)=O ZINC000554506466 288324469 /nfs/dbraw/zinc/32/44/69/288324469.db2.gz PQXNJGKJMWCNMV-QMMMGPOBSA-N 0 0 316.345 0.562 10 0 DCAERN CCn1c([C@@H]2CCOC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000555149732 288344898 /nfs/dbraw/zinc/34/48/98/288344898.db2.gz QAEIPIXLHPGEFA-CHWSQXEVSA-N 0 0 307.398 0.323 10 0 DCAERN COCC1(C)CN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000555840215 288363515 /nfs/dbraw/zinc/36/35/15/288363515.db2.gz IYKAEXJVDUQJOF-UHFFFAOYSA-N 0 0 302.334 0.768 10 0 DCAERN CC(C)CN1C[C@@H](C(=O)N2CCSC[C@@H]2CCO)CC1=O ZINC000556828866 288397919 /nfs/dbraw/zinc/39/79/19/288397919.db2.gz RUUAGARLTBZISW-STQMWFEESA-N 0 0 314.451 0.817 10 0 DCAERN CCn1cccc(CNC(=O)N2CCN3CCOC[C@H]3C2)c1=O ZINC000559531438 288474824 /nfs/dbraw/zinc/47/48/24/288474824.db2.gz BIWOAVJOCOZPFH-CQSZACIVSA-N 0 0 320.393 0.094 10 0 DCAERN O=C(NCCOC[C@@H]1CCCO1)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000560765399 288518648 /nfs/dbraw/zinc/51/86/48/288518648.db2.gz SLCDYHPYXVELJY-KKUMJFAQSA-N 0 0 324.421 0.947 10 0 DCAERN COc1ccc(-c2nc(Cn3c(=O)ccn(C)c3=O)no2)cc1 ZINC000561488318 288544834 /nfs/dbraw/zinc/54/48/34/288544834.db2.gz NEBGTIBPDJEWHC-UHFFFAOYSA-N 0 0 314.301 0.654 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCSC2)C1)C(C)C ZINC000564570998 288751141 /nfs/dbraw/zinc/75/11/41/288751141.db2.gz IWQDPSRRORKNFK-TZMCWYRMSA-N 0 0 300.424 0.882 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)O1 ZINC000330190391 289024727 /nfs/dbraw/zinc/02/47/27/289024727.db2.gz WDGAEGWVWHODLZ-MXYBEHONSA-N 0 0 322.405 0.982 10 0 DCAERN C[C@@]1(NC(=O)Cn2c3ccccc3[nH]c2=O)CCS(=O)(=O)C1 ZINC000078936896 289192592 /nfs/dbraw/zinc/19/25/92/289192592.db2.gz CEYVZJHTRPTWNT-CQSZACIVSA-N 0 0 323.374 0.023 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)NC1CCC2(CCOCC2)CC1 ZINC000408184774 289229832 /nfs/dbraw/zinc/22/98/32/289229832.db2.gz DSOWOKBBVIAFCK-UHFFFAOYSA-N 0 0 318.439 0.733 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000408185872 289231017 /nfs/dbraw/zinc/23/10/17/289231017.db2.gz FMODSRIPKNUTHD-GFCCVEGCSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](O)C[C@@H]1CO ZINC000249281512 289344087 /nfs/dbraw/zinc/34/40/87/289344087.db2.gz GRVPDULGOFSPGO-BMWZALNASA-N 0 0 322.449 0.887 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1C ZINC000408282571 290087506 /nfs/dbraw/zinc/08/75/06/290087506.db2.gz YPUHZCISKMXSFK-KGLIPLIRSA-N 0 0 311.426 0.158 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)[C@H](C)C1 ZINC000333161818 290115752 /nfs/dbraw/zinc/11/57/52/290115752.db2.gz MAHBZSKTLCJBRX-QKGCVVFFSA-N 0 0 316.467 0.892 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1=O ZINC000370178798 290305924 /nfs/dbraw/zinc/30/59/24/290305924.db2.gz ITDZFHHVFJHFGH-FRRDWIJNSA-N 0 0 305.382 0.897 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCSCC[C@H]2C)cn1 ZINC000190104287 290464886 /nfs/dbraw/zinc/46/48/86/290464886.db2.gz PDTHFEMUKMLVDL-SNVBAGLBSA-N 0 0 311.411 0.988 10 0 DCAERN COC[C@H](C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000103363327 292992089 /nfs/dbraw/zinc/99/20/89/292992089.db2.gz RCILBQIDFCNNQC-NSHDSACASA-N 0 0 314.407 0.836 10 0 DCAERN Cc1nc(N[C@H]2CCC(=O)N(C)C2)sc1S(N)(=O)=O ZINC000311993986 293342679 /nfs/dbraw/zinc/34/26/79/293342679.db2.gz WHEISJIUIUFTJY-ZETCQYMHSA-N 0 0 304.397 0.132 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCCC3)[C@@H]2C1 ZINC000407991345 293784269 /nfs/dbraw/zinc/78/42/69/293784269.db2.gz VBGBWFHCSUPKHH-UPJWGTAASA-N 0 0 304.412 0.595 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@H]2C1 ZINC000407989601 293785670 /nfs/dbraw/zinc/78/56/70/293785670.db2.gz IAKRZMMDOASYQB-WOPDTQHZSA-N 0 0 315.395 0.377 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCCO2)[C@H](C)CO1 ZINC000408235632 297043461 /nfs/dbraw/zinc/04/34/61/297043461.db2.gz KUZPNDWMMKCJNU-JHJVBQTASA-N 0 0 306.428 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCCCC2)CCS1(=O)=O ZINC000159173679 297042893 /nfs/dbraw/zinc/04/28/93/297042893.db2.gz DGBGQDOJQOXYGA-LLVKDONJSA-N 0 0 324.468 0.615 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)C[C@H](C)O1 ZINC000328880044 297048768 /nfs/dbraw/zinc/04/87/68/297048768.db2.gz LRQQJYHRSYVHKW-XJFOESAGSA-N 0 0 318.439 0.984 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@](C)(O)CC2)C[C@@H](C)O1 ZINC000230371480 297049121 /nfs/dbraw/zinc/04/91/21/297049121.db2.gz MONYGXNOESKRDP-JHJVBQTASA-N 0 0 306.428 0.577 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOCC23CCC3)C[C@H](C)O1 ZINC000123702836 297052005 /nfs/dbraw/zinc/05/20/05/297052005.db2.gz KHLYSOMGNGIEFW-TXEJJXNPSA-N 0 0 304.412 0.595 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000132643836 294227772 /nfs/dbraw/zinc/22/77/72/294227772.db2.gz XNWQVJGKADLAQE-GHMZBOCLSA-N 0 0 304.350 0.007 10 0 DCAERN COc1cc2c(c(C)c1)NC(=O)[C@]21NC(=O)[C@@H]2CSCCN21 ZINC000273347838 295029274 /nfs/dbraw/zinc/02/92/74/295029274.db2.gz PCQGCMAWSFMQLO-NHYWBVRUSA-N 0 0 319.386 0.656 10 0 DCAERN COc1ccc(CN(CC(=O)N(C)C)CC(=O)N(C)C)cc1 ZINC000119720327 295125576 /nfs/dbraw/zinc/12/55/76/295125576.db2.gz NQBVFLCECBKXHW-UHFFFAOYSA-N 0 0 307.394 0.674 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCO[C@@H](C3CC3)C2)CCCC1 ZINC000330184833 295474126 /nfs/dbraw/zinc/47/41/26/295474126.db2.gz QZHAAEFKOKLPLN-GFCCVEGCSA-N 0 0 301.408 0.981 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1=O ZINC000374731859 297307091 /nfs/dbraw/zinc/30/70/91/297307091.db2.gz MNSBMKRRQRJCNW-NOOOWODRSA-N 0 0 322.409 0.352 10 0 DCAERN C[C@@H]1c2cccn2CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000172322251 297830154 /nfs/dbraw/zinc/83/01/54/297830154.db2.gz IKYRPWIXCNHLAR-SNVBAGLBSA-N 0 0 304.350 0.722 10 0 DCAERN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408205421 298119612 /nfs/dbraw/zinc/11/96/12/298119612.db2.gz YALBCUBCUVLSBW-NXEZZACHSA-N 0 0 319.427 0.118 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246521345 298187270 /nfs/dbraw/zinc/18/72/70/298187270.db2.gz PHJPSCLDYZONFV-POQQGIQPSA-N 0 0 311.426 0.644 10 0 DCAERN C[C@H](CC(=O)N1CCN(C)C(=O)C1(C)C)N1CCCCC1=O ZINC000328739409 298291980 /nfs/dbraw/zinc/29/19/80/298291980.db2.gz HWPGNDNKKYMMSU-GFCCVEGCSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174901203 298860412 /nfs/dbraw/zinc/86/04/12/298860412.db2.gz PMEQGSVICZUFJH-VXGBXAGGSA-N 0 0 301.412 0.075 10 0 DCAERN C[C@H]1CN(c2cnn(C)c(=O)c2Br)CC(=O)N1C ZINC000407955122 300300997 /nfs/dbraw/zinc/30/09/97/300300997.db2.gz PXEZTXKXTJJBGP-ZETCQYMHSA-N 0 0 315.171 0.210 10 0 DCAERN Cc1c[nH]cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c1=O ZINC000408392660 301026912 /nfs/dbraw/zinc/02/69/12/301026912.db2.gz IVMOELBICWOLNZ-CYBMUJFWSA-N 0 0 315.377 0.546 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000328888409 301252508 /nfs/dbraw/zinc/25/25/08/301252508.db2.gz QBVLQRDTMQWCTN-QLFBSQMISA-N 0 0 306.410 0.992 10 0 DCAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C2 ZINC000152175409 301441908 /nfs/dbraw/zinc/44/19/08/301441908.db2.gz KGMXFWVBCDZUSY-YPMHNXCESA-N 0 0 302.330 0.528 10 0 DCAERN Cc1cccc(C)c1C(=O)N1CCN2CCS(=O)(=O)C[C@@H]2C1 ZINC000408522472 301967102 /nfs/dbraw/zinc/96/71/02/301967102.db2.gz JSQHAMHAZGGJBN-AWEZNQCLSA-N 0 0 322.430 0.858 10 0 DCAERN Cc1ccn2ncc(C(=O)NCC3(CS(C)(=O)=O)CC3)c2n1 ZINC000177256899 302265394 /nfs/dbraw/zinc/26/53/94/302265394.db2.gz YGOIBXIPZZOIFL-UHFFFAOYSA-N 0 0 322.390 0.592 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000376661220 302794781 /nfs/dbraw/zinc/79/47/81/302794781.db2.gz VWLWSZLBXRZCSE-SNVBAGLBSA-N 0 0 306.288 0.930 10 0 DCAERN Cc1noc2nc(C)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c12 ZINC000091781075 302858694 /nfs/dbraw/zinc/85/86/94/302858694.db2.gz URIGGQMPRWMKSO-SNVBAGLBSA-N 0 0 304.306 0.166 10 0 DCAERN Cn1cc([C@H]2CCCCN2C(=O)Cn2cccnc2=O)cn1 ZINC000333396757 302934061 /nfs/dbraw/zinc/93/40/61/302934061.db2.gz DTQXCYVWXQPURC-CYBMUJFWSA-N 0 0 301.350 0.731 10 0 DCAERN O=C(NCC1(N2CCOCC2)CCCCC1)N1CC(CO)C1 ZINC000190415323 303757192 /nfs/dbraw/zinc/75/71/92/303757192.db2.gz YTFQCCQKXLEWJF-UHFFFAOYSA-N 0 0 311.426 0.655 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332729416 332858812 /nfs/dbraw/zinc/85/88/12/332858812.db2.gz YAXDSTDCCDTLKE-QWRGUYRKSA-N 0 0 306.370 0.167 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000332784253 332870449 /nfs/dbraw/zinc/87/04/49/332870449.db2.gz AFOGNINIVZCMJD-AXFHLTTASA-N 0 0 313.423 0.281 10 0 DCAERN CO[C@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)[C@@H](C)C1 ZINC000332826962 332879414 /nfs/dbraw/zinc/87/94/14/332879414.db2.gz LSZYWIRVWKESFM-ZDEQEGDKSA-N 0 0 309.370 0.427 10 0 DCAERN O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000332846306 332884798 /nfs/dbraw/zinc/88/47/98/332884798.db2.gz RMQUCKLZGZYWQV-QWRGUYRKSA-N 0 0 311.407 0.083 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186201016 332917653 /nfs/dbraw/zinc/91/76/53/332917653.db2.gz ZCYNRAXJHZEYQV-SNVBAGLBSA-N 0 0 305.382 0.460 10 0 DCAERN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000570117267 332714046 /nfs/dbraw/zinc/71/40/46/332714046.db2.gz LTLKWYBTSARPFU-CHWSQXEVSA-N 0 0 321.421 0.905 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000387739475 333168635 /nfs/dbraw/zinc/16/86/35/333168635.db2.gz XANLXVIIMXKTJF-VXGBXAGGSA-N 0 0 318.439 0.420 10 0 DCAERN Cc1nnc(N2C[C@H](C(N)=O)CC[C@@H]2C)n1C[C@H]1CCCO1 ZINC000582274849 336869774 /nfs/dbraw/zinc/86/97/74/336869774.db2.gz MOXLYPOYMMKMSZ-CYZMBNFOSA-N 0 0 307.398 0.856 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)cc1 ZINC000386258690 337131831 /nfs/dbraw/zinc/13/18/31/337131831.db2.gz KAOHGDXADRZQNS-ZYHUDNBSSA-N 0 0 312.391 0.438 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)c(C)s1 ZINC000396941095 337242572 /nfs/dbraw/zinc/24/25/72/337242572.db2.gz SYSSKBJPOHXMNS-QWRGUYRKSA-N 0 0 305.421 0.729 10 0 DCAERN CCCCNCC1=N[C@H](c2ccc(S(N)(=O)=O)cc2)NO1 ZINC000584596407 337374147 /nfs/dbraw/zinc/37/41/47/337374147.db2.gz DUYDWFVGOVYZHO-ZDUSSCGKSA-N 0 0 312.395 0.656 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCNC(=O)C2CC2)C1 ZINC000171003705 337669502 /nfs/dbraw/zinc/66/95/02/337669502.db2.gz BEQBJYCUAPVCGM-ZDUSSCGKSA-N 0 0 324.425 0.603 10 0 DCAERN CCN1CN(CC(=O)NCC2(c3ccccc3)CC2)CC1=O ZINC000191583857 337682010 /nfs/dbraw/zinc/68/20/10/337682010.db2.gz FUKCXIWVZLXYDY-UHFFFAOYSA-N 0 0 301.390 0.956 10 0 DCAERN C[C@H](NC(=O)C(=O)NCC1CC1)c1ccc(-n2ccnn2)cc1 ZINC000191938928 340743514 /nfs/dbraw/zinc/74/35/14/340743514.db2.gz SRHYNINJRUFGLE-NSHDSACASA-N 0 0 313.361 0.971 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCN(C)C(=O)C1 ZINC000175862752 341849202 /nfs/dbraw/zinc/84/92/02/341849202.db2.gz NNUWUCNLYYEMHI-JTQLQIEISA-N 0 0 307.398 0.452 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCn3nnc(CO)c3C2)c(F)c1 ZINC000577625470 341925116 /nfs/dbraw/zinc/92/51/16/341925116.db2.gz JSBDXRXHPMODPQ-UHFFFAOYSA-N 0 0 318.308 0.768 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2ccccc2)CCN1CCO ZINC000187722936 533906061 /nfs/dbraw/zinc/90/60/61/533906061.db2.gz OAOGDLXRKYTUII-HNNXBMFYSA-N 0 0 305.422 0.643 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)Cc2ccccc2F)CCN1CCO ZINC000187682292 533907261 /nfs/dbraw/zinc/90/72/61/533907261.db2.gz WRONYTQXFNZHHP-AWEZNQCLSA-N 0 0 323.412 0.783 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H](O)CN1CCCC1=O ZINC000156924186 518849209 /nfs/dbraw/zinc/84/92/09/518849209.db2.gz LACHVROGFVRQTF-STQMWFEESA-N 0 0 312.410 0.776 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154035011 519557801 /nfs/dbraw/zinc/55/78/01/519557801.db2.gz WFYODICOTRLZQU-ZFWWWQNUSA-N 0 0 319.409 0.516 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000246998713 519692177 /nfs/dbraw/zinc/69/21/77/519692177.db2.gz IKWHEFIHZPEPON-MCIONIFRSA-N 0 0 309.410 0.842 10 0 DCAERN CC(C)OC(=O)c1ccc(Cn2nc(C(N)=O)ccc2=O)cc1 ZINC000162982259 519752384 /nfs/dbraw/zinc/75/23/84/519752384.db2.gz 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/nfs/dbraw/zinc/51/74/93/534517493.db2.gz JAJKDCPDSMKTMH-UONOGXRCSA-N 0 0 315.329 0.836 10 0 DCAERN CCOc1ccc(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150738757 520941337 /nfs/dbraw/zinc/94/13/37/520941337.db2.gz PDDBGIMHWLLTDL-UHFFFAOYSA-N 0 0 317.345 0.664 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)N(CC)CC ZINC000247117957 521503963 /nfs/dbraw/zinc/50/39/63/521503963.db2.gz QZUXSXXEARYCLZ-LBPRGKRZSA-N 0 0 305.444 0.906 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000129336236 521670468 /nfs/dbraw/zinc/67/04/68/521670468.db2.gz BYISFCKMMPYLCB-LLVKDONJSA-N 0 0 300.384 0.023 10 0 DCAERN CCN1CCN(C2CCN(C(=O)[C@@](C)(O)C3CC3)CC2)C1=O ZINC000367713673 521672145 /nfs/dbraw/zinc/67/21/45/521672145.db2.gz UUFGEJHTGMRGRI-INIZCTEOSA-N 0 0 309.410 0.896 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000131227717 521732446 /nfs/dbraw/zinc/73/24/46/521732446.db2.gz ARPNWXIWAXWBRL-LBPRGKRZSA-N 0 0 322.413 0.787 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112652055 521973377 /nfs/dbraw/zinc/97/33/77/521973377.db2.gz LYJHLQVOCQODIU-LBPRGKRZSA-N 0 0 300.318 0.810 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C)C2)co1 ZINC000130777401 522262398 /nfs/dbraw/zinc/26/23/98/522262398.db2.gz ZEVQIGPMZFYLCT-QMMMGPOBSA-N 0 0 304.393 0.765 10 0 DCAERN CN(C)c1ncc(NC(=O)N(C)CC(=O)NC(C)(C)C)cn1 ZINC000154754845 522351225 /nfs/dbraw/zinc/35/12/25/522351225.db2.gz KNSLLLROGCRISA-UHFFFAOYSA-N 0 0 308.386 0.921 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCCn3ncnc32)cn1 ZINC000154539767 522352959 /nfs/dbraw/zinc/35/29/59/522352959.db2.gz FSNUCFIWVVDFIX-JTQLQIEISA-N 0 0 302.342 0.791 10 0 DCAERN CN(CC(=O)N1CCO[C@H](c2cccs2)C1)S(C)(=O)=O ZINC000162085484 522448527 /nfs/dbraw/zinc/44/85/27/522448527.db2.gz CSOJSPDWEKBGMU-JTQLQIEISA-N 0 0 318.420 0.539 10 0 DCAERN CCc1noc([C@@]2(O)CCN(C(=O)Cc3ccc(C)nc3)C2)n1 ZINC000365602457 522910774 /nfs/dbraw/zinc/91/07/74/522910774.db2.gz RYPHCGLLCNXKRM-MRXNPFEDSA-N 0 0 316.361 0.998 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@H](c2cccs2)C1 ZINC000157695841 523189599 /nfs/dbraw/zinc/18/95/99/523189599.db2.gz XIOOBPNHZSMAJC-NSHDSACASA-N 0 0 312.391 0.801 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000131237788 523249611 /nfs/dbraw/zinc/24/96/11/523249611.db2.gz NNCCQQPBAZJFBY-GFCCVEGCSA-N 0 0 306.366 0.715 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cn1 ZINC000190710853 523316483 /nfs/dbraw/zinc/31/64/83/523316483.db2.gz AIUMHWIWXATZJW-WCFLWFBJSA-N 0 0 319.361 0.886 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000135364128 523318360 /nfs/dbraw/zinc/31/83/60/523318360.db2.gz JPOICDSHMIHMDA-GFCCVEGCSA-N 0 0 316.365 0.616 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000176974367 523320764 /nfs/dbraw/zinc/32/07/64/523320764.db2.gz WIHRBZDNXVJLKB-RYUDHWBXSA-N 0 0 306.366 0.761 10 0 DCAERN CC[C@@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000366059970 523329426 /nfs/dbraw/zinc/32/94/26/523329426.db2.gz PWCVGUMCDHVCRE-GRYCIOLGSA-N 0 0 304.412 0.294 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000129391068 523401976 /nfs/dbraw/zinc/40/19/76/523401976.db2.gz CDUBHKNAWNLLTQ-ZDUSSCGKSA-N 0 0 316.365 0.939 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CCN1CCOC ZINC000119048616 523419226 /nfs/dbraw/zinc/41/92/26/523419226.db2.gz FDBWIHWJZAEKJE-CYBMUJFWSA-N 0 0 322.409 0.307 10 0 DCAERN Cc1cccc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000159180178 534720569 /nfs/dbraw/zinc/72/05/69/534720569.db2.gz QSKPUFMVKUNFEA-LBPRGKRZSA-N 0 0 317.432 0.944 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000365041525 523707778 /nfs/dbraw/zinc/70/77/78/523707778.db2.gz RNUHUOMAMAIEGZ-RWMBFGLXSA-N 0 0 313.398 0.158 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C[C@H]1C ZINC000365041515 523709340 /nfs/dbraw/zinc/70/93/40/523709340.db2.gz RNUHUOMAMAIEGZ-FRRDWIJNSA-N 0 0 313.398 0.158 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000364897901 523892620 /nfs/dbraw/zinc/89/26/20/523892620.db2.gz UOUDTHMPGWQTPH-WDEREUQCSA-N 0 0 307.416 0.087 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000155019507 523892681 /nfs/dbraw/zinc/89/26/81/523892681.db2.gz ZJIRFMQWQFOEIX-ZDUSSCGKSA-N 0 0 316.405 0.667 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471467 523938867 /nfs/dbraw/zinc/93/88/67/523938867.db2.gz OALJZWZGONYPKB-LAJNKCICSA-N 0 0 311.407 0.876 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC1=O ZINC000162915412 524024121 /nfs/dbraw/zinc/02/41/21/524024121.db2.gz ZKXCOYOFFUQGOF-ZLDLUXBVSA-N 0 0 303.362 0.565 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000186119386 524052109 /nfs/dbraw/zinc/05/21/09/524052109.db2.gz ZHTSIGKZUOQYNZ-UHFFFAOYSA-N 0 0 303.322 0.046 10 0 DCAERN CNC(=O)CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000157922759 524074520 /nfs/dbraw/zinc/07/45/20/524074520.db2.gz BMUHWJXQDWVQSJ-LURJTMIESA-N 0 0 304.272 0.396 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000364221452 524122967 /nfs/dbraw/zinc/12/29/67/524122967.db2.gz XCCIRENMGNULKD-NWDGAFQWSA-N 0 0 313.427 0.318 10 0 DCAERN Cc1ncccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000163641965 534765494 /nfs/dbraw/zinc/76/54/94/534765494.db2.gz RBRMLCAQLTXIEV-GXSJLCMTSA-N 0 0 304.350 0.441 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189510519 524330433 /nfs/dbraw/zinc/33/04/33/524330433.db2.gz OLAGSRMELSGITM-UHFFFAOYSA-N 0 0 302.330 0.615 10 0 DCAERN Cc1cccc(C[C@@H](CO)NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000188163387 524466051 /nfs/dbraw/zinc/46/60/51/524466051.db2.gz DAUMKGRRUMGLKY-GJZGRUSLSA-N 0 0 319.405 0.818 10 0 DCAERN C[C@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1N1CCOCC1 ZINC000191267445 524472846 /nfs/dbraw/zinc/47/28/46/524472846.db2.gz BHNBXNSLXZZEQX-ZFWWWQNUSA-N 0 0 304.394 0.588 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)CCS1(=O)=O ZINC000121747460 524523004 /nfs/dbraw/zinc/52/30/04/524523004.db2.gz UYNRAZBIRKVUQP-JTQLQIEISA-N 0 0 313.423 0.977 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000127978805 524568927 /nfs/dbraw/zinc/56/89/27/524568927.db2.gz RDFKZPOTYFXBKE-MNOVXSKESA-N 0 0 317.349 0.339 10 0 DCAERN Cc1cccc(OC[C@H](O)CN2CC(NC(=O)C3CC3)C2)c1 ZINC000187979166 524760781 /nfs/dbraw/zinc/76/07/81/524760781.db2.gz UXYMVLGYGUAKPZ-OAHLLOKOSA-N 0 0 304.390 0.945 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)cc1C ZINC000187921317 525018178 /nfs/dbraw/zinc/01/81/78/525018178.db2.gz VMAQAEVMCSFTPD-UHFFFAOYSA-N 0 0 324.402 0.903 10 0 DCAERN C[C@H](NC(=O)NCC(=O)NC(C)(C)C)c1nnc2n1CCCC2 ZINC000157213788 525055148 /nfs/dbraw/zinc/05/51/48/525055148.db2.gz YSBJJQLJQBEDMG-JTQLQIEISA-N 0 0 322.413 0.889 10 0 DCAERN C[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)[C@H](C)N1CCOCC1 ZINC000154769195 525070046 /nfs/dbraw/zinc/07/00/46/525070046.db2.gz ISSFUSZTOMYULB-AJNGGQMLSA-N 0 0 313.442 0.946 10 0 DCAERN C[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCCC[C@@H]1C ZINC000154627317 525193896 /nfs/dbraw/zinc/19/38/96/525193896.db2.gz MLUJXDLIQQGPPV-QWRGUYRKSA-N 0 0 320.393 0.643 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000267802998 525208916 /nfs/dbraw/zinc/20/89/16/525208916.db2.gz KPMMVKOVOLDJKI-SECBINFHSA-N 0 0 318.786 0.890 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000116833585 525210642 /nfs/dbraw/zinc/21/06/42/525210642.db2.gz NDOQWELDDKRFEK-LLVKDONJSA-N 0 0 304.318 0.729 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](O)C1 ZINC000366514273 525233366 /nfs/dbraw/zinc/23/33/66/525233366.db2.gz CRGVRXXSNCDXHD-IJLUTSLNSA-N 0 0 304.412 0.509 10 0 DCAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CN2CCOCC2=O)C1 ZINC000365677515 525292261 /nfs/dbraw/zinc/29/22/61/525292261.db2.gz ZSDCBQIKOHYNBA-OCCSQVGLSA-N 0 0 303.362 0.850 10 0 DCAERN COc1ccc2[nH]c(C(=O)NCC(=O)N3CCOCC3)cc2c1 ZINC000189613415 525478877 /nfs/dbraw/zinc/47/88/77/525478877.db2.gz HYWFQSDKFSNVHU-UHFFFAOYSA-N 0 0 317.345 0.765 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000188275326 525558594 /nfs/dbraw/zinc/55/85/94/525558594.db2.gz HUZRAKOFRINEHP-YNEHKIRRSA-N 0 0 320.393 0.847 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)NCCC(N)=O)n1 ZINC000154872331 525562185 /nfs/dbraw/zinc/56/21/85/525562185.db2.gz QJEQHZBCRBSNHF-UHFFFAOYSA-N 0 0 315.333 0.111 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CCC(=O)N2CC(CO)C2)C1=O ZINC000184223032 525614524 /nfs/dbraw/zinc/61/45/24/525614524.db2.gz OKICBEADSJMGLI-NSHDSACASA-N 0 0 304.346 0.641 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 ZINC000364298814 525700646 /nfs/dbraw/zinc/70/06/46/525700646.db2.gz ZNQBALBQJSTDMW-JQWIXIFHSA-N 0 0 306.366 0.382 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000128709746 525779663 /nfs/dbraw/zinc/77/96/63/525779663.db2.gz XZMNLBWXRIENJL-KBPBESRZSA-N 0 0 305.378 0.948 10 0 DCAERN Cc1cnc(CCN(C)C(=O)C(C)(C)NS(C)(=O)=O)s1 ZINC000124322552 525990388 /nfs/dbraw/zinc/99/03/88/525990388.db2.gz PRDZBPYWXSXGSF-UHFFFAOYSA-N 0 0 319.452 0.780 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000154074324 526094606 /nfs/dbraw/zinc/09/46/06/526094606.db2.gz IHXGOMLHMHPRSR-SNVBAGLBSA-N 0 0 310.737 0.813 10 0 DCAERN Cc1ccc2ncc(C(=O)NCC3(C)OCCCO3)c(=O)n2c1 ZINC000191096421 526256855 /nfs/dbraw/zinc/25/68/55/526256855.db2.gz QTICSPXNNFIRFJ-UHFFFAOYSA-N 0 0 317.345 0.886 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190753300 526296989 /nfs/dbraw/zinc/29/69/89/526296989.db2.gz BYYYHOWHYXWVBO-LLVKDONJSA-N 0 0 303.322 0.809 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000152953351 526552433 /nfs/dbraw/zinc/55/24/33/526552433.db2.gz HYPRHQJIHGHJPR-UHFFFAOYSA-N 0 0 322.408 0.489 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1nccc2ccccc21 ZINC000128055052 526573231 /nfs/dbraw/zinc/57/32/31/526573231.db2.gz ZAHCFIMWONMYPH-AWEZNQCLSA-N 0 0 315.373 0.658 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000170804585 526678195 /nfs/dbraw/zinc/67/81/95/526678195.db2.gz LVKJBRUTWLDUTH-CHWSQXEVSA-N 0 0 300.424 0.965 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCc2cc(Cl)ccc2C1 ZINC000191456516 526720474 /nfs/dbraw/zinc/72/04/74/526720474.db2.gz VLHQKKXWYMREEH-UHFFFAOYSA-N 0 0 307.737 0.777 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)no1 ZINC000246024039 526838738 /nfs/dbraw/zinc/83/87/38/526838738.db2.gz VGOSMJJVSLOVNN-CHWSQXEVSA-N 0 0 308.382 0.980 10 0 DCAERN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)N[C@H]1CCCOC1 ZINC000184713476 527078377 /nfs/dbraw/zinc/07/83/77/527078377.db2.gz WEZYCQGNQUCXBM-JQWIXIFHSA-N 0 0 310.375 0.993 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)c1 ZINC000188918204 527087925 /nfs/dbraw/zinc/08/79/25/527087925.db2.gz YXJLWCMCWMWAPD-ZWNOBZJWSA-N 0 0 312.391 0.615 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)c1 ZINC000188918247 527088059 /nfs/dbraw/zinc/08/80/59/527088059.db2.gz YXJLWCMCWMWAPD-GXFFZTMASA-N 0 0 312.391 0.615 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(CCc1cccc(F)c1)C1CC1 ZINC000155937599 527138406 /nfs/dbraw/zinc/13/84/06/527138406.db2.gz XBOBXCGSVACRCN-ZDUSSCGKSA-N 0 0 319.336 0.957 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CCO2)cn1 ZINC000267577169 527303376 /nfs/dbraw/zinc/30/33/76/527303376.db2.gz IKHGMVYBNQKZEM-OLZOCXBDSA-N 0 0 321.381 0.124 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)cn1 ZINC000128843176 527317718 /nfs/dbraw/zinc/31/77/18/527317718.db2.gz WHFCIJQLCPRQIA-WCQYABFASA-N 0 0 305.382 0.540 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCO[C@H](C3CC3)C2)c1Cl ZINC000372260726 527487150 /nfs/dbraw/zinc/48/71/50/527487150.db2.gz JOWXZNKQMAKAAG-VIFPVBQESA-N 0 0 305.787 0.873 10 0 DCAERN Cn1cnc2cc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)ccc21 ZINC000129546961 527497394 /nfs/dbraw/zinc/49/73/94/527497394.db2.gz WHOMXZPQRBQOAP-NSHDSACASA-N 0 0 322.390 0.337 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H](Oc3ccccn3)C2)ccc1=O ZINC000238880573 527541496 /nfs/dbraw/zinc/54/14/96/527541496.db2.gz PDMFAYWWYOVZEN-NSHDSACASA-N 0 0 300.318 0.469 10 0 DCAERN CCN(C)S(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000173506766 527850403 /nfs/dbraw/zinc/85/04/03/527850403.db2.gz KABHJNVZDOXXMC-UHFFFAOYSA-N 0 0 318.468 0.766 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000171488633 527889739 /nfs/dbraw/zinc/88/97/39/527889739.db2.gz OJXDAACBUXFIJF-CHWSQXEVSA-N 0 0 309.410 0.762 10 0 DCAERN CCC[C@@]1(C)C(=O)NCCN1Cc1csc(CC(=O)NC)n1 ZINC000187299038 527926400 /nfs/dbraw/zinc/92/64/00/527926400.db2.gz AXZUXDKNHWSFKA-HNNXBMFYSA-N 0 0 324.450 0.922 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000178136976 528048319 /nfs/dbraw/zinc/04/83/19/528048319.db2.gz XVBSUZATXCQVIE-GFCCVEGCSA-N 0 0 307.394 0.230 10 0 DCAERN CC1CCC(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)CC1 ZINC000155397988 528197226 /nfs/dbraw/zinc/19/72/26/528197226.db2.gz WMVBIQNEUQSSPE-CPCZMJQVSA-N 0 0 302.440 0.800 10 0 DCAERN CCCCNC(=O)[C@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000176575016 528539466 /nfs/dbraw/zinc/53/94/66/528539466.db2.gz WXEULZJPQCEKAH-WVDJIFEKSA-N 0 0 301.416 0.808 10 0 DCAERN CCN(Cc1nnc(C2CC2)n1C)[C@@H](C)CS(C)(=O)=O ZINC000171834842 528892322 /nfs/dbraw/zinc/89/23/22/528892322.db2.gz RNUKOMFTMADPOC-JTQLQIEISA-N 0 0 300.428 0.948 10 0 DCAERN CC(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000176431069 528948616 /nfs/dbraw/zinc/94/86/16/528948616.db2.gz GXDPZYJFEKXDRZ-GHMZBOCLSA-N 0 0 316.427 0.495 10 0 DCAERN CC(C)[C@H](C)NC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176576743 528965882 /nfs/dbraw/zinc/96/58/82/528965882.db2.gz JSEKBOBWVYRIBX-WVDJIFEKSA-N 0 0 301.416 0.663 10 0 DCAERN CC[C@H](C)OCC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000299740062 529184137 /nfs/dbraw/zinc/18/41/37/529184137.db2.gz VFKFWQUGGKBGJS-QWRGUYRKSA-N 0 0 309.370 0.356 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000182408173 529229380 /nfs/dbraw/zinc/22/93/80/529229380.db2.gz SWWZCOOIEQVFIF-UONOGXRCSA-N 0 0 319.471 0.352 10 0 DCAERN CC[C@@H](SC)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328639453 529251086 /nfs/dbraw/zinc/25/10/86/529251086.db2.gz PNEPMKHDHBTKEO-GHMZBOCLSA-N 0 0 303.428 0.822 10 0 DCAERN COc1cc(C(N)=O)ccc1NC(=O)NC[C@H](CO)C1CC1 ZINC000455986960 536555151 /nfs/dbraw/zinc/55/51/51/536555151.db2.gz OLTBQMRRPZVMER-LLVKDONJSA-N 0 0 307.350 0.934 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(N)cc1F ZINC000043592824 545649672 /nfs/dbraw/zinc/64/96/72/545649672.db2.gz RISRECJHVDHIIE-SNVBAGLBSA-N 0 0 301.343 0.307 10 0 DCAERN C[C@]([NH3+])(CCn1cc(I)cn1)C(N)=O ZINC000070678546 545661548 /nfs/dbraw/zinc/66/15/48/545661548.db2.gz RQSRZJJWPPYQDJ-QMMMGPOBSA-N 0 0 308.123 0.081 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NCC[C@@H]1CCCO1 ZINC000074850299 545673705 /nfs/dbraw/zinc/67/37/05/545673705.db2.gz KHCSJDYJRIESJS-NSHDSACASA-N 0 0 302.330 0.968 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C2CC=CC2)CC1 ZINC000076997050 545678951 /nfs/dbraw/zinc/67/89/51/545678951.db2.gz OWSHJLNESYWNIS-AWEZNQCLSA-N 0 0 321.421 0.344 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@]1(C)CCCO1 ZINC000124018934 545758175 /nfs/dbraw/zinc/75/81/75/545758175.db2.gz NZFXEFWRIFTNCY-OCCSQVGLSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)no1 ZINC000135196081 545804851 /nfs/dbraw/zinc/80/48/51/545804851.db2.gz UGOJVNQYTSZIMA-GFCCVEGCSA-N 0 0 321.381 0.968 10 0 DCAERN O=C(CCc1ccc2c(c1)OCCO2)NCC(=O)NC1CC1 ZINC000143845890 545809647 /nfs/dbraw/zinc/80/96/47/545809647.db2.gz FZAGJOBXQHNZIR-UHFFFAOYSA-N 0 0 304.346 0.785 10 0 DCAERN COc1ccnc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000155499831 545845105 /nfs/dbraw/zinc/84/51/05/545845105.db2.gz JQOCHNHWZUVSHE-GFCCVEGCSA-N 0 0 304.306 0.995 10 0 DCAERN COc1cc(C)c(S(=O)(=O)NC2(CO)CC2)cc1OC ZINC000164240296 545874146 /nfs/dbraw/zinc/87/41/46/545874146.db2.gz QJBGWMRJAAIPHF-UHFFFAOYSA-N 0 0 301.364 0.815 10 0 DCAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCc1cccnc1 ZINC000173936183 545884592 /nfs/dbraw/zinc/88/45/92/545884592.db2.gz ITIPWQGVINSIOG-HNNXBMFYSA-N 0 0 304.394 0.104 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)C1 ZINC000178143385 545895124 /nfs/dbraw/zinc/89/51/24/545895124.db2.gz XDGJJOPKSUGZLB-LBPRGKRZSA-N 0 0 318.373 0.841 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCNC(=O)c1cccs1 ZINC000179240089 545897989 /nfs/dbraw/zinc/89/79/89/545897989.db2.gz RROWVQMGVDKETN-SNVBAGLBSA-N 0 0 324.406 0.398 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000179110726 545898356 /nfs/dbraw/zinc/89/83/56/545898356.db2.gz KALOTUNIQDRLLA-JTQLQIEISA-N 0 0 317.436 0.914 10 0 DCAERN COc1cccc([C@H]2C[C@@H]2C(=O)NCC(=O)N2CCOCC2)c1 ZINC000181064124 545902061 /nfs/dbraw/zinc/90/20/61/545902061.db2.gz BIWXBRGKFDAXTB-CABCVRRESA-N 0 0 318.373 0.774 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NC[C@@H]1CCCC[C@@H]1O ZINC000182002536 545904541 /nfs/dbraw/zinc/90/45/41/545904541.db2.gz RDOOULIQKCBWAP-OBJOEFQTSA-N 0 0 309.410 0.848 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cscn2)CCN1S(C)(=O)=O ZINC000183539012 545908773 /nfs/dbraw/zinc/90/87/73/545908773.db2.gz PQCHSXSJJBJGPS-VIFPVBQESA-N 0 0 318.424 0.318 10 0 DCAERN Cn1c(CNC(=O)CNC(=O)C(C)(C)C)nnc1C1CCC1 ZINC000184036475 545909869 /nfs/dbraw/zinc/90/98/69/545909869.db2.gz NAZCJRPKWRYGKA-UHFFFAOYSA-N 0 0 307.398 0.861 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185034150 545912580 /nfs/dbraw/zinc/91/25/80/545912580.db2.gz KGPUJASZHNBARX-CHWSQXEVSA-N 0 0 307.394 0.228 10 0 DCAERN COc1cc(Br)ccc1CNC(=O)CNC(N)=O ZINC000189252149 545921004 /nfs/dbraw/zinc/92/10/04/545921004.db2.gz OLOZZKHBPABOLQ-UHFFFAOYSA-N 0 0 316.155 0.742 10 0 DCAERN Cc1c(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)ccn1C ZINC000195006373 545933617 /nfs/dbraw/zinc/93/36/17/545933617.db2.gz TVLPSDWURJJDCA-UHFFFAOYSA-N 0 0 320.393 0.143 10 0 DCAERN Cc1cc(N2CC[C@@H](NC(=O)c3ccn(C)c3C)C2=O)n(C)n1 ZINC000195286129 545934444 /nfs/dbraw/zinc/93/44/44/545934444.db2.gz CJMAEXJVNKAGMI-CYBMUJFWSA-N 0 0 315.377 0.911 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000319605236 546031647 /nfs/dbraw/zinc/03/16/47/546031647.db2.gz YQKIFWCAKZGNPD-MRXNPFEDSA-N 0 0 306.337 0.696 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000332754626 546059120 /nfs/dbraw/zinc/05/91/20/546059120.db2.gz FSSPRRAAXFIHKK-NEPJUHHUSA-N 0 0 315.439 0.135 10 0 DCAERN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000332902415 546065337 /nfs/dbraw/zinc/06/53/37/546065337.db2.gz PSLZDGXCPUWKPA-HIFRSBDPSA-N 0 0 323.437 0.614 10 0 DCAERN O=C(CN1CCCNC1=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000532673222 546289640 /nfs/dbraw/zinc/28/96/40/546289640.db2.gz XPLBMVIGFOVIDM-UHFFFAOYSA-N 0 0 315.337 0.144 10 0 DCAERN CC(C)COc1cncc(N2CC[C@](O)(Cn3ccnn3)C2)n1 ZINC000671467473 547218751 /nfs/dbraw/zinc/21/87/51/547218751.db2.gz XULGKXCTLLVYCO-OAHLLOKOSA-N 0 0 318.381 0.744 10 0 DCAERN Cc1nc2c(c(N3CC[C@@](O)(Cn4ccnn4)C3)n1)CCCC2 ZINC000671466641 547219008 /nfs/dbraw/zinc/21/90/08/547219008.db2.gz OHAXIOYEYMZYMN-INIZCTEOSA-N 0 0 314.393 0.897 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CNc3nc(CO)nn32)C1 ZINC000232498749 563961812 /nfs/dbraw/zinc/96/18/12/563961812.db2.gz LYJRFLNHCAJBMX-ZJUUUORDSA-N 0 0 309.370 0.994 10 0 DCAERN CCCC[C@H]1NC(=O)N(CN2CCC[C@H](NC(C)=O)C2)C1=O ZINC000068240113 665407627 /nfs/dbraw/zinc/40/76/27/665407627.db2.gz ZRLNWLKIOYZNKT-QWHCGFSZSA-N 0 0 310.398 0.655 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN2CCC(C(=O)N(C)C)CC2)C1=O ZINC000068239927 665407660 /nfs/dbraw/zinc/40/76/60/665407660.db2.gz IRRRVVGMMFXSBS-ZDUSSCGKSA-N 0 0 324.425 0.855 10 0 DCAERN Cn1c2ccncc2n(CN2CCS(=O)(=O)C(C)(C)C2)c1=O ZINC000163076234 661135793 /nfs/dbraw/zinc/13/57/93/661135793.db2.gz QJYKEXHUSQVGBJ-UHFFFAOYSA-N 0 0 324.406 0.202 10 0 DCAERN CNC(=O)c1nc(C2CCN(C(=O)C[C@H]3C[C@@H]3C)CC2)n[nH]1 ZINC000888094451 661160078 /nfs/dbraw/zinc/16/00/78/661160078.db2.gz RBADPEPHROBDTJ-GXSJLCMTSA-N 0 0 305.382 0.916 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)nnn1C ZINC000888095205 661164758 /nfs/dbraw/zinc/16/47/58/661164758.db2.gz TYVPPBCEOZSXAR-NWDGAFQWSA-N 0 0 304.354 0.587 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)o1 ZINC000888099313 661178236 /nfs/dbraw/zinc/17/82/36/661178236.db2.gz VPUPWLMTQJMFRF-GHMZBOCLSA-N 0 0 301.364 0.796 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1(O)CCCC1(C)C ZINC000355816948 661286184 /nfs/dbraw/zinc/28/61/84/661286184.db2.gz UWRJDKBBBOJOAH-RISCZKNCSA-N 0 0 300.424 0.965 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000739762157 667717388 /nfs/dbraw/zinc/71/73/88/667717388.db2.gz JVYUWRCIEWKJNC-BDAKNGLRSA-N 0 0 312.313 0.698 10 0 DCAERN COC(=O)N[C@@H](C(=O)N(C)C[C@H](O)C(F)(F)F)C(C)C ZINC000180832514 665458506 /nfs/dbraw/zinc/45/85/06/665458506.db2.gz ZLYXLQZRWYQQSJ-JGVFFNPUSA-N 0 0 300.277 0.749 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC[C@@H]1C(N)=O ZINC000255095747 657469050 /nfs/dbraw/zinc/46/90/50/657469050.db2.gz NQWSMBDNHQYDHC-CMPLNLGQSA-N 0 0 305.382 0.164 10 0 DCAERN COc1ccsc1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721523905 657559110 /nfs/dbraw/zinc/55/91/10/657559110.db2.gz RGQZOFOBKRRLLE-UHFFFAOYSA-N 0 0 304.393 0.698 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2cc(F)ccc2F)CCC1 ZINC000721536203 657600350 /nfs/dbraw/zinc/60/03/50/657600350.db2.gz SECMOFLRYXNQTI-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN O=S(=O)(/C=C\c1ccccc1)NC[C@@H]1CN2CCN1CC2 ZINC000255121347 657603058 /nfs/dbraw/zinc/60/30/58/657603058.db2.gz DTPGSRPREMBMHC-UJNBGNEJSA-N 0 0 307.419 0.577 10 0 DCAERN C[C@@H](C(N)=O)N(C)C(=O)c1cc(Br)cnc1F ZINC000711040925 657696258 /nfs/dbraw/zinc/69/62/58/657696258.db2.gz JZUGKMGWLGNQNN-YFKPBYRVSA-N 0 0 304.119 0.929 10 0 DCAERN C[C@](O)(CN1CCN(CCO)CC1)C(F)(F)C(F)(F)F ZINC000724041701 657910163 /nfs/dbraw/zinc/91/01/63/657910163.db2.gz OBFRQGSQFZNTGJ-VIFPVBQESA-N 0 0 306.275 0.545 10 0 DCAERN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H](C)O)c1 ZINC000344874589 657918666 /nfs/dbraw/zinc/91/86/66/657918666.db2.gz CNRAQXIVRXHQJW-VHSXEESVSA-N 0 0 301.364 0.829 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCNC(=O)CC1 ZINC000254965047 657953316 /nfs/dbraw/zinc/95/33/16/657953316.db2.gz CXJXMFZDJDTCGT-LLVKDONJSA-N 0 0 305.382 0.036 10 0 DCAERN O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H](CCO)C1CCCC1 ZINC000725033722 658038886 /nfs/dbraw/zinc/03/88/86/658038886.db2.gz SFKZOCZXOCFCGJ-AAEUAGOBSA-N 0 0 303.424 0.869 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OC ZINC000724193139 658044191 /nfs/dbraw/zinc/04/41/91/658044191.db2.gz NMHQSMJWKMCLSC-HTQZYQBOSA-N 0 0 320.392 0.728 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)NC2(CO)CC2)ccc1Cl ZINC000162172197 658056811 /nfs/dbraw/zinc/05/68/11/658056811.db2.gz KOLLWGODVJMUFL-UHFFFAOYSA-N 0 0 303.767 0.998 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccccc1F ZINC000725060402 658094803 /nfs/dbraw/zinc/09/48/03/658094803.db2.gz KLVSRAWDDHIVMS-LLVKDONJSA-N 0 0 300.355 0.219 10 0 DCAERN CN(C(=O)C[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1 ZINC000725061455 658096606 /nfs/dbraw/zinc/09/66/06/658096606.db2.gz PRUMVXOHVJSYSM-GFCCVEGCSA-N 0 0 300.355 0.565 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)csc1C ZINC000725082211 658129324 /nfs/dbraw/zinc/12/93/24/658129324.db2.gz ASBDMBZJIMSZPA-ZJUUUORDSA-N 0 0 319.404 0.662 10 0 DCAERN COCc1nn(CN(C)[C@H](C)C(=O)OC(C)(C)C)c(=O)o1 ZINC000119810666 658276112 /nfs/dbraw/zinc/27/61/12/658276112.db2.gz TWRJXFHHBCJCCV-SECBINFHSA-N 0 0 301.343 0.602 10 0 DCAERN C[C@](O)(CO)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000090287153 658504263 /nfs/dbraw/zinc/50/42/63/658504263.db2.gz FXOFCBHYXHLFCL-CYBMUJFWSA-N 0 0 301.726 0.584 10 0 DCAERN C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(F)(F)F ZINC000255056706 658582376 /nfs/dbraw/zinc/58/23/76/658582376.db2.gz LQLJTNNFZURCLG-IQXGSHKSSA-N 0 0 306.240 0.591 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2cccnc2F)CC1=O ZINC000723352598 658640035 /nfs/dbraw/zinc/64/00/35/658640035.db2.gz NVNBCJLMIJRVFY-SECBINFHSA-N 0 0 301.343 0.367 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000723351834 658641156 /nfs/dbraw/zinc/64/11/56/658641156.db2.gz IXOYYXXPUNQOLR-SNVBAGLBSA-N 0 0 300.355 0.972 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2noc(C)n2)C1=O ZINC000888076485 658713466 /nfs/dbraw/zinc/71/34/66/658713466.db2.gz NYBMZBNMRCGVLM-NSHDSACASA-N 0 0 310.354 0.364 10 0 DCAERN C[C@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)C[C@H](C)O1 ZINC000051115540 658758237 /nfs/dbraw/zinc/75/82/37/658758237.db2.gz RNCJNKDBZMQLMO-STQMWFEESA-N 0 0 312.410 0.898 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccc(Cl)n1 ZINC000725760107 658760537 /nfs/dbraw/zinc/76/05/37/658760537.db2.gz ZEWVUKPSMDWGIK-UHFFFAOYSA-N 0 0 317.798 0.890 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000155339690 658788094 /nfs/dbraw/zinc/78/80/94/658788094.db2.gz CLNYIPXDZHKZHU-UHFFFAOYSA-N 0 0 323.802 0.500 10 0 DCAERN O=c1c(Br)cncn1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724671944 658908627 /nfs/dbraw/zinc/90/86/27/658908627.db2.gz ZNZGXXZNVVHOQE-NRPADANISA-N 0 0 301.140 0.810 10 0 DCAERN CNC(=O)[C@@H](NC(=O)NC[C@@H](O)c1ccccc1F)C(C)C ZINC000178398041 659050196 /nfs/dbraw/zinc/05/01/96/659050196.db2.gz UUFFUURHCTWBMB-OLZOCXBDSA-N 0 0 311.357 0.929 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCc1ccnn1C ZINC000185805152 659259901 /nfs/dbraw/zinc/25/99/01/659259901.db2.gz BHTMPYOUMVCGRN-UHFFFAOYSA-N 0 0 314.349 0.683 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CCOC[C@H]1CO ZINC000168068868 659317277 /nfs/dbraw/zinc/31/72/77/659317277.db2.gz JUXYRMADFRQGOH-SECBINFHSA-N 0 0 301.140 0.677 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000189048453 659354129 /nfs/dbraw/zinc/35/41/29/659354129.db2.gz CLSUNHLBPXCWEZ-AWEZNQCLSA-N 0 0 315.377 0.280 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCNC1=O ZINC000311884008 659389471 /nfs/dbraw/zinc/38/94/71/659389471.db2.gz WOBHHQKJRGIUJU-MRVPVSSYSA-N 0 0 303.771 0.600 10 0 DCAERN Cc1nccn1[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000069819570 665682782 /nfs/dbraw/zinc/68/27/82/665682782.db2.gz CKTCYIUREQTSQH-GFCCVEGCSA-N 0 0 303.366 0.963 10 0 DCAERN O=C(N[C@H]1COc2ccccc21)N[C@@H]1CCCS(=O)(=O)C1 ZINC000332804266 659757723 /nfs/dbraw/zinc/75/77/23/659757723.db2.gz DYHQDHCOGSECTD-PWSUYJOCSA-N 0 0 310.375 0.997 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000095016695 661317931 /nfs/dbraw/zinc/31/79/31/661317931.db2.gz AFFULQADVLZQQE-QNWHQSFQSA-N 0 0 318.439 0.950 10 0 DCAERN COc1ccc(C(=O)NCCNC(N)=O)cc1Br ZINC000096731284 661404392 /nfs/dbraw/zinc/40/43/92/661404392.db2.gz JOESVYSMZKYDQX-UHFFFAOYSA-N 0 0 316.155 0.856 10 0 DCAERN Cc1ccc(-c2noc(C[C@@H]3CS(=O)(=O)CCN3)n2)cc1 ZINC000126116448 661435175 /nfs/dbraw/zinc/43/51/75/661435175.db2.gz IJMVTOLDJPYCIA-GFCCVEGCSA-N 0 0 307.375 0.974 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000338935264 661808114 /nfs/dbraw/zinc/80/81/14/661808114.db2.gz WQCDPZLYFHPLGZ-JTQLQIEISA-N 0 0 307.366 0.317 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CO)cc2)C1 ZINC000070331925 665813391 /nfs/dbraw/zinc/81/33/91/665813391.db2.gz XGYNNMXCDIVUOL-LBPRGKRZSA-N 0 0 312.391 0.789 10 0 DCAERN C[C@@H](O)[C@H](C)NC(=O)c1cnn(C)c1I ZINC000306671192 662021747 /nfs/dbraw/zinc/02/17/47/662021747.db2.gz FUPGJPVFDNBZMO-NTSWFWBYSA-N 0 0 323.134 0.524 10 0 DCAERN Cn1cc(/C=C/C(=O)Oc2cccc(F)c2)c(=O)n(C)c1=O ZINC000054188509 662099524 /nfs/dbraw/zinc/09/95/24/662099524.db2.gz SHWRMUWNUCSMRQ-VOTSOKGWSA-N 0 0 304.277 0.842 10 0 DCAERN COc1ncc(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)s1 ZINC000721817334 662114661 /nfs/dbraw/zinc/11/46/61/662114661.db2.gz NTRXCFUPJRMAGJ-MRVPVSSYSA-N 0 0 306.409 0.933 10 0 DCAERN COc1ccc(NC(=S)NCC(=O)NC(C)C)cc1CO ZINC000727279200 662150581 /nfs/dbraw/zinc/15/05/81/662150581.db2.gz ZLMXXNREWXAXMF-UHFFFAOYSA-N 0 0 311.407 0.999 10 0 DCAERN C/C=C\C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000727865354 662257327 /nfs/dbraw/zinc/25/73/27/662257327.db2.gz RFVCBODSWNDJND-UTCJRWHESA-N 0 0 323.418 0.819 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000526061853 662497367 /nfs/dbraw/zinc/49/73/67/662497367.db2.gz JBAOOGSKQZUQHH-JGVFFNPUSA-N 0 0 306.409 0.478 10 0 DCAERN CC(C)[C@H](OC(=O)COc1ccc(C(N)=O)cc1)C(=O)N(C)C ZINC000729709317 662907642 /nfs/dbraw/zinc/90/76/42/662907642.db2.gz RWZAUNVJTQOOIT-AWEZNQCLSA-N 0 0 322.361 0.820 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)O ZINC000344913680 663080718 /nfs/dbraw/zinc/08/07/18/663080718.db2.gz HNDIWOFZPHPEQH-BDAKNGLRSA-N 0 0 307.393 0.138 10 0 DCAERN Cc1nc2c(nccc2C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[nH]1 ZINC000435446964 663197848 /nfs/dbraw/zinc/19/78/48/663197848.db2.gz DKMUAOOFBTZQIY-QMMMGPOBSA-N 0 0 310.379 0.771 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCn3ccnc3C2)C1 ZINC000900664764 663267940 /nfs/dbraw/zinc/26/79/40/663267940.db2.gz FLLIIELROARVOI-CYBMUJFWSA-N 0 0 320.393 0.500 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000900668373 663268706 /nfs/dbraw/zinc/26/87/06/663268706.db2.gz AKKVEVQUMMJNNV-AWEZNQCLSA-N 0 0 320.393 0.453 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@@H]2CCCn3ncnc32)C1=O ZINC000900980954 663298902 /nfs/dbraw/zinc/29/89/02/663298902.db2.gz LCLXBGHYGCIGKX-LLVKDONJSA-N 0 0 317.349 0.325 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H](C)N2Cc3ccccc3C2=O)C1 ZINC000907643492 663709493 /nfs/dbraw/zinc/70/94/93/663709493.db2.gz PBZLEJNIBMFMRI-SNVBAGLBSA-N 0 0 301.346 0.378 10 0 DCAERN CC[C@H](O)[C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000908093620 663731761 /nfs/dbraw/zinc/73/17/61/663731761.db2.gz JEIACHBSAZFNSO-XUXIUFHCSA-N 0 0 312.410 0.632 10 0 DCAERN COc1cc(CC(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)ccc1O ZINC000909185058 663784305 /nfs/dbraw/zinc/78/43/05/663784305.db2.gz HTGBGJDQVDMYPH-AXAPSJFSSA-N 0 0 317.345 0.631 10 0 DCAERN NC(=O)C1(O)CCN(Cc2ncccc2Br)CC1 ZINC000311095069 663885703 /nfs/dbraw/zinc/88/57/03/663885703.db2.gz QRQZWJCJWGPQBP-UHFFFAOYSA-N 0 0 314.183 0.656 10 0 DCAERN Cc1cc(C(=O)N2CCOC[C@@H]2CO)c(C)n1-c1cnn(C)c1 ZINC000912418933 664173820 /nfs/dbraw/zinc/17/38/20/664173820.db2.gz YSCRQMPVFBEPKT-AWEZNQCLSA-N 0 0 318.377 0.661 10 0 DCAERN O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCOC[C@@H]1CO ZINC000912424002 664174600 /nfs/dbraw/zinc/17/46/00/664174600.db2.gz ZXJMGQRWTOKWLH-JSGCOSHPSA-N 0 0 310.394 0.387 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000163713107 664356636 /nfs/dbraw/zinc/35/66/36/664356636.db2.gz AOUYCKXLSOVEGG-DTWKUNHWSA-N 0 0 308.313 0.272 10 0 DCAERN CCOC(=O)C1CCN(C(=O)c2nn3c(c2F)OCC3)CC1 ZINC000223848100 664424996 /nfs/dbraw/zinc/42/49/96/664424996.db2.gz LCLWKQZKEVOFRM-UHFFFAOYSA-N 0 0 311.313 0.830 10 0 DCAERN Cc1cc2c(nc(N3CCOCC3)nc2NCC(=O)N(C)C)[nH]1 ZINC000223935536 664427740 /nfs/dbraw/zinc/42/77/40/664427740.db2.gz ARVPJRWSDXXCDP-UHFFFAOYSA-N 0 0 318.381 0.603 10 0 DCAERN Cc1nc(NCCCN2CCOCC2)c2c(n1)N[C@@H](C)C(=O)N2 ZINC000224023580 664428601 /nfs/dbraw/zinc/42/86/01/664428601.db2.gz XXCROSLNCVHOPO-JTQLQIEISA-N 0 0 320.397 0.672 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226054323 664498489 /nfs/dbraw/zinc/49/84/89/664498489.db2.gz ZXCOYKDKLSIQSG-SCZZXKLOSA-N 0 0 316.379 0.857 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000170196521 664574221 /nfs/dbraw/zinc/57/42/21/664574221.db2.gz VCLRWWPIBOVHMH-CABCVRRESA-N 0 0 318.373 0.255 10 0 DCAERN Cc1nn(C)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000172764818 664624968 /nfs/dbraw/zinc/62/49/68/664624968.db2.gz DSVWZOCKWYNEEC-UHFFFAOYSA-N 0 0 314.349 0.863 10 0 DCAERN O=C1C[C@@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)CN1 ZINC000231139517 664626482 /nfs/dbraw/zinc/62/64/82/664626482.db2.gz OOHPAHMWWNJZCJ-SSDOTTSWSA-N 0 0 314.754 0.155 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CCC3(CCCC3)C1)c2=O ZINC000173742145 664631208 /nfs/dbraw/zinc/63/12/08/664631208.db2.gz CGNSQDNLIIYDQG-UHFFFAOYSA-N 0 0 315.377 0.923 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCC(C)CC1 ZINC000730307768 664682067 /nfs/dbraw/zinc/68/20/67/664682067.db2.gz DHLHSYGCXKCMRJ-LBPRGKRZSA-N 0 0 314.407 0.710 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NC1CCCCC1 ZINC000730310518 664683543 /nfs/dbraw/zinc/68/35/43/664683543.db2.gz JTBBNYUOLPPVRM-GFCCVEGCSA-N 0 0 314.407 0.900 10 0 DCAERN Cc1ccc(C(=O)NCCOCCS(C)(=O)=O)c(C)n1 ZINC000153155683 664794490 /nfs/dbraw/zinc/79/44/90/664794490.db2.gz HYXUUDKMGPRQHG-UHFFFAOYSA-N 0 0 300.380 0.489 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](CO)Cc1ccco1 ZINC000741424561 664842144 /nfs/dbraw/zinc/84/21/44/664842144.db2.gz ZRPIJUWOPRVLGR-BIBXISHDSA-N 0 0 302.396 0.498 10 0 DCAERN CN1CCCc2cc(NC(=O)CC[C@@H]3NC(=O)NC3=O)ccc21 ZINC000731658122 664876713 /nfs/dbraw/zinc/87/67/13/664876713.db2.gz AYWBKUDBJCMJGI-LBPRGKRZSA-N 0 0 316.361 0.996 10 0 DCAERN C=C(C)C[C@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000186299002 665388228 /nfs/dbraw/zinc/38/82/28/665388228.db2.gz SZKZTPBLPULCOW-NWDGAFQWSA-N 0 0 312.391 0.555 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NC(C)(CO)CO)CC2=O)cc1 ZINC000183516199 666059395 /nfs/dbraw/zinc/05/93/95/666059395.db2.gz KPIFYPDAPYDJEW-LBPRGKRZSA-N 0 0 306.362 0.207 10 0 DCAERN CCOC(=O)c1cn(CN2CCO[C@]3(CCOC3)C2)nc1C ZINC000184291875 666194653 /nfs/dbraw/zinc/19/46/53/666194653.db2.gz VYWUMQFBMPEZNI-OAHLLOKOSA-N 0 0 309.366 0.817 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CC(N)=O)c1ccccc1 ZINC000358453781 666239471 /nfs/dbraw/zinc/23/94/71/666239471.db2.gz NNJMLJBKKBLFLX-OLZOCXBDSA-N 0 0 321.402 0.641 10 0 DCAERN NC(=O)c1ccccc1OCC(=O)OCCCN1CCOC1=O ZINC000733424505 666647511 /nfs/dbraw/zinc/64/75/11/666647511.db2.gz XBNOEBZRVIMMEQ-UHFFFAOYSA-N 0 0 322.317 0.550 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H]1CNC(=O)C1 ZINC000171045956 666688251 /nfs/dbraw/zinc/68/82/51/666688251.db2.gz RQTHVHLHAQBEJE-PWSUYJOCSA-N 0 0 302.330 0.644 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nnc(Cl)c(C)c1C ZINC000700319876 666704168 /nfs/dbraw/zinc/70/41/68/666704168.db2.gz NHNGPCRQBSEEFK-RKDXNWHRSA-N 0 0 305.787 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CCCCN1C(=O)C(C)C ZINC000733880719 666823636 /nfs/dbraw/zinc/82/36/36/666823636.db2.gz UXANUCLBQZWIQR-MPBGBICISA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccccc1S(=O)(=O)CC ZINC000733882914 666823647 /nfs/dbraw/zinc/82/36/47/666823647.db2.gz QYIJMMWHCYKVBQ-LJQANCHMSA-N 0 0 317.432 0.979 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)CCNC(=O)c1ccsc1 ZINC000701243706 666824136 /nfs/dbraw/zinc/82/41/36/666824136.db2.gz PCQGDMSZEAFGCZ-SECBINFHSA-N 0 0 300.380 0.992 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000733899718 666824668 /nfs/dbraw/zinc/82/46/68/666824668.db2.gz MXSZCHKSGPYJAC-IBGZPJMESA-N 0 0 319.404 0.505 10 0 DCAERN CC[S@@](=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000733963939 666832761 /nfs/dbraw/zinc/83/27/61/666832761.db2.gz ZNIHZNSGZNVYDI-LJQANCHMSA-N 0 0 322.408 0.028 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1cc(Br)cn1 ZINC000733964545 666832789 /nfs/dbraw/zinc/83/27/89/666832789.db2.gz PZZXPNGGCIXAJN-INIZCTEOSA-N 0 0 308.201 0.530 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000734358033 666871518 /nfs/dbraw/zinc/87/15/18/666871518.db2.gz NJDIQEHUHGZXMJ-HXUWFJFHSA-N 0 0 300.355 0.440 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000735108248 666947088 /nfs/dbraw/zinc/94/70/88/666947088.db2.gz PMTYCTYKBQDNOO-DMZKTXOQSA-N 0 0 323.418 0.860 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000735109676 666949805 /nfs/dbraw/zinc/94/98/05/666949805.db2.gz FFHSYFOASWHCGO-FKIZINRSSA-N 0 0 302.371 0.927 10 0 DCAERN CCN(C(=O)NCC[S@@](=O)CC)[C@H](C)CS(C)(=O)=O ZINC000735109743 666951116 /nfs/dbraw/zinc/95/11/16/666951116.db2.gz JKLVIJJUWWCXAV-MGNBDDOMSA-N 0 0 312.457 0.220 10 0 DCAERN CC[S@@](=O)CCNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000735096014 666951663 /nfs/dbraw/zinc/95/16/63/666951663.db2.gz MIHIFSALQIWGEQ-CHNSCGDPSA-N 0 0 315.395 0.352 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000735113458 666954468 /nfs/dbraw/zinc/95/44/68/666954468.db2.gz XYWRQMDKWXMIEV-HXUWFJFHSA-N 0 0 301.412 0.019 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](O)c1ccccc1F ZINC000735113666 666955323 /nfs/dbraw/zinc/95/53/23/666955323.db2.gz VHJPHZDDKTYFFR-ODXCJYRJSA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C)ccc1F ZINC000735197608 666965927 /nfs/dbraw/zinc/96/59/27/666965927.db2.gz FFJYLMASKUIBIM-FQEVSTJZSA-N 0 0 300.355 0.957 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000735264150 666971105 /nfs/dbraw/zinc/97/11/05/666971105.db2.gz LLIUFFVUWMCKJX-ZDUSSCGKSA-N 0 0 319.386 0.832 10 0 DCAERN CC(=O)NC[C@@H]1CN(Cn2c3ccccc3n(C)c2=O)CCO1 ZINC000735485296 666991074 /nfs/dbraw/zinc/99/10/74/666991074.db2.gz FJTJEQBXKCINFC-CYBMUJFWSA-N 0 0 318.377 0.134 10 0 DCAERN CN(Cc1cnccn1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000735480930 666994814 /nfs/dbraw/zinc/99/48/14/666994814.db2.gz PWGJBMMXPCTPCH-UHFFFAOYSA-N 0 0 324.337 0.535 10 0 DCAERN COC(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702816243 666998734 /nfs/dbraw/zinc/99/87/34/666998734.db2.gz QYXHDOJDHFHDFR-MNOVXSKESA-N 0 0 316.398 0.755 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)[nH]n1 ZINC000702816715 666998932 /nfs/dbraw/zinc/99/89/32/666998932.db2.gz WUVROJIVMGFUEC-PWSUYJOCSA-N 0 0 324.381 0.676 10 0 DCAERN Cn1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cn1 ZINC000702815881 666999072 /nfs/dbraw/zinc/99/90/72/666999072.db2.gz ALUDOJDVXFVSTL-CMPLNLGQSA-N 0 0 324.381 0.378 10 0 DCAERN Cn1ccnc(NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1=O ZINC000702849799 667010918 /nfs/dbraw/zinc/01/09/18/667010918.db2.gz DWSXCLLCZONBID-MNOVXSKESA-N 0 0 324.381 0.420 10 0 DCAERN CC(=O)c1cccc(OCCCC(=O)NCCNC(N)=O)c1 ZINC000735809439 667038944 /nfs/dbraw/zinc/03/89/44/667038944.db2.gz IPASLJIWTXPHSR-UHFFFAOYSA-N 0 0 307.350 0.833 10 0 DCAERN CC(=O)N(CCC(=O)NCCNC(N)=O)Cc1ccccc1 ZINC000735809577 667039086 /nfs/dbraw/zinc/03/90/86/667039086.db2.gz BWOCXVIAOODLNB-UHFFFAOYSA-N 0 0 306.366 0.210 10 0 DCAERN Cn1cc(-c2ncc(C(=O)OCCCNC(N)=O)s2)cn1 ZINC000118905950 667039674 /nfs/dbraw/zinc/03/96/74/667039674.db2.gz CGKGRYZFBKBNLE-UHFFFAOYSA-N 0 0 309.351 0.759 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OC ZINC000737214640 667102166 /nfs/dbraw/zinc/10/21/66/667102166.db2.gz LCLKRKSELSSZGZ-OAQYLSRUSA-N 0 0 312.391 0.827 10 0 DCAERN COC(=O)c1ncn(CCS(=O)(=O)C2CCCCC2)n1 ZINC000704075010 667169772 /nfs/dbraw/zinc/16/97/72/667169772.db2.gz UKTOYQAJYQFSLE-UHFFFAOYSA-N 0 0 301.368 0.812 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000120645879 667335189 /nfs/dbraw/zinc/33/51/89/667335189.db2.gz HJKZDNYFHNDVMH-BDAKNGLRSA-N 0 0 324.768 0.834 10 0 DCAERN O=C1CCC(S(=O)(=O)NCC(O)(C2CC2)C2CC2)CC1 ZINC000708181627 667442098 /nfs/dbraw/zinc/44/20/98/667442098.db2.gz DOEXVRGEKYCXCX-UHFFFAOYSA-N 0 0 301.408 0.969 10 0 DCAERN CC1(C)CC(=O)NCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708216147 667442320 /nfs/dbraw/zinc/44/23/20/667442320.db2.gz UZPRQZKZLYGUMV-UHFFFAOYSA-N 0 0 302.396 0.428 10 0 DCAERN COC(=O)c1ccc(CNC(C)(C)CNS(C)(=O)=O)o1 ZINC000708370548 667443024 /nfs/dbraw/zinc/44/30/24/667443024.db2.gz CLDKERPZQFDLAE-UHFFFAOYSA-N 0 0 304.368 0.484 10 0 DCAERN C[C@H](C(N)=O)N(C)c1ncc(I)cn1 ZINC000711052353 667448661 /nfs/dbraw/zinc/44/86/61/667448661.db2.gz PMUWBRHROXWABC-RXMQYKEDSA-N 0 0 306.107 0.391 10 0 DCAERN CSCCCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000134895154 667556492 /nfs/dbraw/zinc/55/64/92/667556492.db2.gz ICBQFIAJMQZQMR-UHFFFAOYSA-N 0 0 322.496 0.755 10 0 DCAERN CCCN(CC(F)(F)F)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000135170392 667575898 /nfs/dbraw/zinc/57/58/98/667575898.db2.gz AGLTWXHMXSKJGZ-VIFPVBQESA-N 0 0 316.345 0.564 10 0 DCAERN COC(=O)C[C@H](C)NC(=O)c1c(Br)cnn1C ZINC000710587024 667596190 /nfs/dbraw/zinc/59/61/90/667596190.db2.gz ZXMDQKPGQFFSCJ-LURJTMIESA-N 0 0 304.144 0.864 10 0 DCAERN COC(=O)c1ccc(=O)n(Cc2cccc3c2OCCO3)n1 ZINC000739435408 667703187 /nfs/dbraw/zinc/70/31/87/667703187.db2.gz IAAUIZWMSDRPFX-UHFFFAOYSA-N 0 0 302.286 0.849 10 0 DCAERN Cc1cnccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026648 667725348 /nfs/dbraw/zinc/72/53/48/667725348.db2.gz APQFWFRVBWNHCT-INIZCTEOSA-N 0 0 304.394 0.152 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000886065726 667727907 /nfs/dbraw/zinc/72/79/07/667727907.db2.gz RTTAQOMPCRQQCO-HNNXBMFYSA-N 0 0 313.365 0.660 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@@H](n3ccnn3)C2)cn1 ZINC000886075682 667729274 /nfs/dbraw/zinc/72/92/74/667729274.db2.gz VCCPUWNHWUMRGT-SNVBAGLBSA-N 0 0 303.326 0.946 10 0 DCAERN COc1ncccc1CNC(=O)CN1CCCC[C@@H](OC)C1=O ZINC000886087945 667731012 /nfs/dbraw/zinc/73/10/12/667731012.db2.gz FGXBDJGPTOMQFR-CYBMUJFWSA-N 0 0 321.377 0.734 10 0 DCAERN CC(C)COCCC(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741142523 667759995 /nfs/dbraw/zinc/75/99/95/667759995.db2.gz BINCEPAOLXFWIX-HXUWFJFHSA-N 0 0 304.456 0.572 10 0 DCAERN C[C@H](CCNS(=O)(=O)c1ncn(C)c1Cl)[S@@](C)=O ZINC000123973593 667871306 /nfs/dbraw/zinc/87/13/06/667871306.db2.gz JIWLGQCVNZNDDH-GJEGPGMTSA-N 0 0 313.832 0.509 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000123578433 668144593 /nfs/dbraw/zinc/14/45/93/668144593.db2.gz ZXCOYKDKLSIQSG-PSASIEDQSA-N 0 0 316.379 0.857 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCCF ZINC000125670164 668398416 /nfs/dbraw/zinc/39/84/16/668398416.db2.gz RZAUZHQBSPJOHD-MRVPVSSYSA-N 0 0 300.311 0.626 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCc2ccccc2C1 ZINC000126447362 668596654 /nfs/dbraw/zinc/59/66/54/668596654.db2.gz KUYHSWHQTINKNY-CQSZACIVSA-N 0 0 308.403 0.348 10 0 DCAERN C[C@H](Cc1cccs1)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126530000 668621201 /nfs/dbraw/zinc/62/12/01/668621201.db2.gz PENWAGGZPLUHLK-MNOVXSKESA-N 0 0 316.448 0.572 10 0 DCAERN C[C@H](c1ccccc1)N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126577148 668627853 /nfs/dbraw/zinc/62/78/53/668627853.db2.gz NTLTVPCHQUNFKP-OCCSQVGLSA-N 0 0 310.419 0.983 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000126652532 668639263 /nfs/dbraw/zinc/63/92/63/668639263.db2.gz KDNFYNIWWUIEOS-MUWHJKNJSA-N 0 0 318.160 0.636 10 0 DCAERN C[C@H](NC(=O)[C@H](C)N1CCN(C)[C@@H](CO)C1)c1ccccc1 ZINC000931412494 669199081 /nfs/dbraw/zinc/19/90/81/669199081.db2.gz HZYFUCZLXUOCKK-OFQRWUPVSA-N 0 0 305.422 0.861 10 0 DCAERN C[C@@H](NC(=O)Cn1ccc([C@H](C)O)n1)C(=O)N1CCCCC1 ZINC000128703510 669277825 /nfs/dbraw/zinc/27/78/25/669277825.db2.gz JIZWRVPDSOTORQ-NEPJUHHUSA-N 0 0 308.382 0.454 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000129602223 669511718 /nfs/dbraw/zinc/51/17/18/669511718.db2.gz PYUIIXVPADOFCV-UHFFFAOYSA-N 0 0 316.405 0.998 10 0 DCAERN C[C@@H](CO)N(C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000132027822 669700827 /nfs/dbraw/zinc/70/08/27/669700827.db2.gz ZIWIOBYHRAFCOZ-NSHDSACASA-N 0 0 305.378 0.830 10 0 DCAERN CCOC(=O)c1cnn(CN2CCC(C(=O)N(C)C)CC2)c1 ZINC000132370099 669718184 /nfs/dbraw/zinc/71/81/84/669718184.db2.gz ZORYQMVKADKEER-UHFFFAOYSA-N 0 0 308.382 0.818 10 0 DCAERN Cn1ncc2c1nnn(CN1CCO[C@H]3CCCC[C@@H]31)c2=O ZINC000132420200 669723189 /nfs/dbraw/zinc/72/31/89/669723189.db2.gz BUGDDSPSVRPJND-RYUDHWBXSA-N 0 0 304.354 0.126 10 0 DCAERN COCCN(CC(F)(F)F)C(=O)[C@H]1CSCN1C(C)=O ZINC000132909631 669756080 /nfs/dbraw/zinc/75/60/80/669756080.db2.gz FZPMLKRZGXNLIU-SECBINFHSA-N 0 0 314.329 0.945 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)c1ccsc1 ZINC000155502120 669833082 /nfs/dbraw/zinc/83/30/82/669833082.db2.gz WMKXDWJLZMNLMW-QWRGUYRKSA-N 0 0 300.405 0.819 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000158674047 669928044 /nfs/dbraw/zinc/92/80/44/669928044.db2.gz FXMCTBNXLCOACB-FVINQWEUSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000159581508 669939731 /nfs/dbraw/zinc/93/97/31/669939731.db2.gz XKRFPTNQJYQIHZ-NSHDSACASA-N 0 0 324.468 0.472 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000189329936 670112548 /nfs/dbraw/zinc/11/25/48/670112548.db2.gz HGIWALMXNOFLQD-WCFLWFBJSA-N 0 0 324.381 0.387 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000713916759 670169136 /nfs/dbraw/zinc/16/91/36/670169136.db2.gz UPPGPJGGSMKKMQ-SECBINFHSA-N 0 0 311.354 0.160 10 0 DCAERN COC(=O)[C@H]1COCCN1Cc1cn(C)nc1Br ZINC000713821452 670170330 /nfs/dbraw/zinc/17/03/30/670170330.db2.gz JOCPIAHZUAICJW-SECBINFHSA-N 0 0 318.171 0.556 10 0 DCAERN C[C@@H](OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[C@H]1CCOC1 ZINC000079174510 670180206 /nfs/dbraw/zinc/18/02/06/670180206.db2.gz VRTPQUXMCOJOEX-MNOVXSKESA-N 0 0 318.329 0.658 10 0 DCAERN Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714258149 670182810 /nfs/dbraw/zinc/18/28/10/670182810.db2.gz NSOCLQWGHFUKQD-UHFFFAOYSA-N 0 0 317.798 0.528 10 0 DCAERN O=C(NCC[C@@H]1CCCS1(=O)=O)c1nccnc1Cl ZINC000714364479 670185648 /nfs/dbraw/zinc/18/56/48/670185648.db2.gz AGZFWBRPXYGUJK-QMMMGPOBSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(C)c(F)c2)C1 ZINC000714472921 670189481 /nfs/dbraw/zinc/18/94/81/670189481.db2.gz PIOWGUCDQYEKTA-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN COC(=O)c1sc(N2CC(O)(C(=O)OC)C2)nc1Cl ZINC000714519081 670190680 /nfs/dbraw/zinc/19/06/80/670190680.db2.gz ZGBHJHWDPQIDTB-UHFFFAOYSA-N 0 0 306.727 0.307 10 0 DCAERN O=C(Cn1cncn1)NCc1ncc(Br)s1 ZINC000714644734 670192455 /nfs/dbraw/zinc/19/24/55/670192455.db2.gz GJIFZVOHPXBHFW-UHFFFAOYSA-N 0 0 302.157 0.814 10 0 DCAERN CC(C)(O)CN1CCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000715002323 670202106 /nfs/dbraw/zinc/20/21/06/670202106.db2.gz OHXJRCDLEHKDME-UHFFFAOYSA-N 0 0 304.456 0.895 10 0 DCAERN CC[C@@H](C[C@@H](C)O)NC(=O)c1c(Br)nnn1C ZINC000716868868 670275262 /nfs/dbraw/zinc/27/52/62/670275262.db2.gz AUSIYPGSCMHRED-RQJHMYQMSA-N 0 0 305.176 0.857 10 0 DCAERN NC(=O)C1=NO[C@@H](CNC(=O)c2coc(Br)c2)C1 ZINC000194076357 670397736 /nfs/dbraw/zinc/39/77/36/670397736.db2.gz UUDPDYCYBPCSTH-ZCFIWIBFSA-N 0 0 316.111 0.402 10 0 DCAERN CS(=O)(=O)CCNC(=O)/C=C/c1cnc2ccccc2n1 ZINC000194340802 670424981 /nfs/dbraw/zinc/42/49/81/670424981.db2.gz VNUXBUDKOFAIFB-VOTSOKGWSA-N 0 0 305.359 0.804 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC000194588495 670442817 /nfs/dbraw/zinc/44/28/17/670442817.db2.gz GTXYFZXSIXILRX-CYBMUJFWSA-N 0 0 302.330 0.857 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613941 670444311 /nfs/dbraw/zinc/44/43/11/670444311.db2.gz SXUKHEJAVOEHOL-CYBMUJFWSA-N 0 0 301.350 0.328 10 0 DCAERN CCN1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1=O ZINC000190497359 670454508 /nfs/dbraw/zinc/45/45/08/670454508.db2.gz SZWGREHUFYLRBE-UHFFFAOYSA-N 0 0 308.250 0.765 10 0 DCAERN Cn1cc(-c2ncc(C(=O)N3CCCS3(=O)=O)s2)cn1 ZINC000112222554 670564156 /nfs/dbraw/zinc/56/41/56/670564156.db2.gz POVJPHJAFBZJPW-UHFFFAOYSA-N 0 0 312.376 0.719 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116968786 671148689 /nfs/dbraw/zinc/14/86/89/671148689.db2.gz ZRNOIXGGNCXLFD-XUSGNXJCSA-N 0 0 317.455 0.844 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCC[S@](=O)C(C)(C)C)C1 ZINC000116968788 671148704 /nfs/dbraw/zinc/14/87/04/671148704.db2.gz ZRNOIXGGNCXLFD-LAJNKCICSA-N 0 0 317.455 0.844 10 0 DCAERN CC(C)OC[C@@H](O)CSc1nnc(C(F)(F)F)n1N ZINC000102607536 671834496 /nfs/dbraw/zinc/83/44/96/671834496.db2.gz NYSFFJRCBHTLEX-ZCFIWIBFSA-N 0 0 300.306 0.889 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1ccccc1C(N)=O ZINC000104074867 671906268 /nfs/dbraw/zinc/90/62/68/671906268.db2.gz JTYVTEJMMWHZGS-MNOVXSKESA-N 0 0 318.377 0.310 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000106397323 672323823 /nfs/dbraw/zinc/32/38/23/672323823.db2.gz LLPQXROGZPBJLS-NSHDSACASA-N 0 0 314.817 0.911 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@H]1COC(C)(C)C1 ZINC000396576605 685270306 /nfs/dbraw/zinc/27/03/06/685270306.db2.gz GAGBOMQOHWSZDO-ZCFIWIBFSA-N 0 0 303.160 0.875 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)CCN1 ZINC000396737929 685270846 /nfs/dbraw/zinc/27/08/46/685270846.db2.gz MBXZNMCMSOMPIH-MRVPVSSYSA-N 0 0 303.771 0.682 10 0 DCAERN O=C1CCC(S(=O)(=O)N2CCC(C3OCCO3)CC2)CC1 ZINC000719030264 685308034 /nfs/dbraw/zinc/30/80/34/685308034.db2.gz LKVGUIYRZXWDCF-UHFFFAOYSA-N 0 0 317.407 0.913 10 0 DCAERN Cn1cc(CNCCN2CCNC2=O)c(Br)n1 ZINC000720644712 685314537 /nfs/dbraw/zinc/31/45/37/685314537.db2.gz DSIPCNQZYPMHRX-UHFFFAOYSA-N 0 0 302.176 0.297 10 0 DCAERN CO[C@@]1(CNC(=O)c2cncc(Cl)n2)CCS(=O)(=O)C1 ZINC000720849436 685316589 /nfs/dbraw/zinc/31/65/89/685316589.db2.gz XJDAFRIOXIOWDG-LLVKDONJSA-N 0 0 319.770 0.064 10 0 DCAERN CC(C)C[C@H]1CCCN1C(=O)C[C@H]1CNCCS1(=O)=O ZINC000725005304 685319650 /nfs/dbraw/zinc/31/96/50/685319650.db2.gz IYRRYYCSFWJMDH-OLZOCXBDSA-N 0 0 302.440 0.800 10 0 DCAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CNOC2)c1 ZINC000722502838 685319942 /nfs/dbraw/zinc/31/99/42/685319942.db2.gz OTVKBISDQNZMKV-QMMMGPOBSA-N 0 0 320.754 0.308 10 0 DCAERN COc1cccc([C@H](O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245663104 685158019 /nfs/dbraw/zinc/15/80/19/685158019.db2.gz AHGXATPNLHBEGE-XEZPLFJOSA-N 0 0 322.405 0.642 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)cn1 ZINC000248801439 685176747 /nfs/dbraw/zinc/17/67/47/685176747.db2.gz QFTQAETUAZITLS-ZFWWWQNUSA-N 0 0 322.409 0.524 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000248908870 685177663 /nfs/dbraw/zinc/17/76/63/685177663.db2.gz XLXYUNKAUNNVOL-DGCLKSJQSA-N 0 0 322.413 0.686 10 0 DCAERN C[C@H](CNC(=O)c1sc2ncccc2c1N)S(N)(=O)=O ZINC000398254749 1158114780 /nfs/dbraw/zinc/11/47/80/1158114780.db2.gz QIEKTZVWRLHBHX-ZCFIWIBFSA-N 0 0 314.392 0.285 10 0 DCAERN O=C(NCCN1C(=O)CCCC1=O)[C@H]1CCc2cccnc21 ZINC000333539952 1158328699 /nfs/dbraw/zinc/32/86/99/1158328699.db2.gz ZRQRKINOLUZHOF-LBPRGKRZSA-N 0 0 301.346 0.767 10 0 DCAERN Nc1cc(Cl)ccc1C(=O)NCCCCS(N)(=O)=O ZINC000312065688 1158458681 /nfs/dbraw/zinc/45/86/81/1158458681.db2.gz FFYUQEUUHBCRRP-UHFFFAOYSA-N 0 0 305.787 0.721 10 0 DCAERN CC(=O)N[C@H](C(=O)NC1CCN(C(C)=O)CC1)C1CCCC1 ZINC000043751882 1171552710 /nfs/dbraw/zinc/55/27/10/1171552710.db2.gz RUETWFWXNCZLCN-HNNXBMFYSA-N 0 0 309.410 0.808 10 0 DCAERN COc1ccc(CCNS(=O)(=O)c2cnc(N)nc2)cc1 ZINC000050633563 1171734858 /nfs/dbraw/zinc/73/48/58/1171734858.db2.gz PIBPKGJIYLLBBG-UHFFFAOYSA-N 0 0 308.363 0.588 10 0 DCAERN CC(=O)N1CCN(C(=O)CN(C)C(=O)c2ccsc2)CC1 ZINC000052929135 1171792274 /nfs/dbraw/zinc/79/22/74/1171792274.db2.gz MQBSQOKBCBTDBI-UHFFFAOYSA-N 0 0 309.391 0.511 10 0 DCAERN CCC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000075059173 1173928789 /nfs/dbraw/zinc/92/87/89/1173928789.db2.gz QGFSTHBXIFSDQJ-UHFFFAOYSA-N 0 0 317.389 0.934 10 0 DCAERN CC(=O)N1CCCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000078263928 1174192944 /nfs/dbraw/zinc/19/29/44/1174192944.db2.gz YDISYLWVIGGVHC-UHFFFAOYSA-N 0 0 307.350 0.480 10 0 DCAERN C#CCN(C(=O)Cc1ccc(C)c(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089458112 1175317556 /nfs/dbraw/zinc/31/75/56/1175317556.db2.gz LMQVFBDXNBAPFE-CQSZACIVSA-N 0 0 321.398 0.892 10 0 DCAERN CN(C)C(=O)CNC(=O)c1cc(Br)ccc1N ZINC000123691069 1177057775 /nfs/dbraw/zinc/05/77/75/1177057775.db2.gz RXMGPSBHQWOAAS-UHFFFAOYSA-N 0 0 300.156 0.849 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1CCc1cccs1 ZINC000132613127 1177524692 /nfs/dbraw/zinc/52/46/92/1177524692.db2.gz ZOHHWHSWCJPKLI-LLVKDONJSA-N 0 0 303.405 0.563 10 0 DCAERN Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](NC(N)=O)C(C)C ZINC000132422529 1177525459 /nfs/dbraw/zinc/52/54/59/1177525459.db2.gz UKWPKWKRAWLCKP-NSHDSACASA-N 0 0 324.381 0.517 10 0 DCAERN COC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000133383711 1177527327 /nfs/dbraw/zinc/52/73/27/1177527327.db2.gz SFGJAUQNMIRGBN-VIFPVBQESA-N 0 0 317.342 0.527 10 0 DCAERN COC[C@H](CO)NC(=O)CNC(=O)c1ccccc1Cl ZINC000234722102 1180563196 /nfs/dbraw/zinc/56/31/96/1180563196.db2.gz JICZXTZFPCFXMR-VIFPVBQESA-N 0 0 300.742 0.193 10 0 DCAERN O=C(CCc1ccccc1)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC000169842287 1183610144 /nfs/dbraw/zinc/61/01/44/1183610144.db2.gz FBDNROLHVKJACD-UHFFFAOYSA-N 0 0 314.345 0.249 10 0 DCAERN COCCOCC(=O)NC1CCN(C(=O)c2ccccn2)CC1 ZINC000169875581 1183616748 /nfs/dbraw/zinc/61/67/48/1183616748.db2.gz VAPGLVYFBRKWCO-UHFFFAOYSA-N 0 0 321.377 0.465 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Cn2nnnc2C(C)C)CC1 ZINC000173389109 1183897621 /nfs/dbraw/zinc/89/76/21/1183897621.db2.gz SIYNCYLVZOSDNO-UHFFFAOYSA-N 0 0 308.386 0.171 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1nnc2ccccc21 ZINC000177806921 1184298485 /nfs/dbraw/zinc/29/84/85/1184298485.db2.gz SSKVHGNKAGGOMA-GHMZBOCLSA-N 0 0 301.350 0.592 10 0 DCAERN Cc1noc([C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000179890365 1185168559 /nfs/dbraw/zinc/16/85/59/1185168559.db2.gz LVWXPKOCGNKLSW-JOYOIKCWSA-N 0 0 311.386 0.258 10 0 DCAERN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C1CC(=O)C1 ZINC000183584924 1185194168 /nfs/dbraw/zinc/19/41/68/1185194168.db2.gz JGRMMWCOWLGPEC-UHFFFAOYSA-N 0 0 300.314 0.720 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(Br)o1 ZINC000189313041 1187888960 /nfs/dbraw/zinc/88/89/60/1187888960.db2.gz JLTSDXUZPQSGEN-LURJTMIESA-N 0 0 316.111 0.256 10 0 DCAERN C[C@@H]1CC(O)C[C@@H](C)N1Cc1nc(CS(C)(=O)=O)no1 ZINC000191251734 1187958347 /nfs/dbraw/zinc/95/83/47/1187958347.db2.gz RRYYQXZRHPPUTN-RKDXNWHRSA-N 0 0 303.384 0.348 10 0 DCAERN C[C@H]1COCC[C@@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC000192787763 1187963191 /nfs/dbraw/zinc/96/31/91/1187963191.db2.gz NWCGWXOFESZENS-RYUDHWBXSA-N 0 0 306.362 0.911 10 0 DCAERN Cc1noc([C@H](NS(=O)(=O)[C@H](C)C(=O)N(C)C)C(C)C)n1 ZINC000193917242 1188106675 /nfs/dbraw/zinc/10/66/75/1188106675.db2.gz DFWFRSGAJAGKHI-PSASIEDQSA-N 0 0 318.399 0.471 10 0 DCAERN Nc1ccc(F)cc1C(=O)NCCN1CCCS1(=O)=O ZINC000405326564 1190288466 /nfs/dbraw/zinc/28/84/66/1190288466.db2.gz VPRPQQGMRJCAEG-UHFFFAOYSA-N 0 0 301.343 0.173 10 0 DCAERN CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)[C@H](C)O ZINC000307908442 1190385229 /nfs/dbraw/zinc/38/52/29/1190385229.db2.gz BJMKQJBSLLVMBZ-QPUJVOFHSA-N 0 0 300.380 0.562 10 0 DCAERN CC[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1N)OC ZINC000307909480 1190385762 /nfs/dbraw/zinc/38/57/62/1190385762.db2.gz WWKVINBOPSIKTD-VIFPVBQESA-N 0 0 300.380 0.827 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccon1)[C@@H]2C ZINC000443761135 1190446583 /nfs/dbraw/zinc/44/65/83/1190446583.db2.gz SKJVPQMOTBEISZ-SECBINFHSA-N 0 0 318.337 0.353 10 0 DCAERN C[C@@H](O)CNC(=O)c1cc(I)ccc1N ZINC000308830892 747519060 /nfs/dbraw/zinc/51/90/60/747519060.db2.gz JMMQICQGSNOVAG-ZCFIWIBFSA-N 0 0 320.130 0.984 10 0 DCAERN O=C1CSC(=O)N1CCNS(=O)(=O)c1cccnc1F ZINC000401830037 774067612 /nfs/dbraw/zinc/06/76/12/774067612.db2.gz NLCVVNQRCMWFMB-UHFFFAOYSA-N 0 0 319.339 0.194 10 0 DCAERN COc1cccc(O)c1C(=O)NCCCCS(N)(=O)=O ZINC000405440923 774167094 /nfs/dbraw/zinc/16/70/94/774167094.db2.gz VONRVIGTNKHQSK-UHFFFAOYSA-N 0 0 302.352 0.199 10 0 DCAERN Cn1cc(/C=C\C(=O)OC[C@H]2CCC(C)(C)O2)c(=O)n(C)c1=O ZINC000588587181 939422511 /nfs/dbraw/zinc/42/25/11/939422511.db2.gz BXHOVCQUZKGVKP-FOQNGQEVSA-N 0 0 322.361 0.598 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)C1 ZINC000690816781 954676818 /nfs/dbraw/zinc/67/68/18/954676818.db2.gz DZOMBIICMWAAHN-VXGBXAGGSA-N 0 0 304.412 0.455 10 0 DCAERN CC[C@]1(C(=O)[O-])CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695041402 968954684 /nfs/dbraw/zinc/95/46/84/968954684.db2.gz XGEUPWMVRHDHET-ZDUSSCGKSA-N 0 0 304.412 0.599 10 0 DCAERN C[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)[C@H](C(=O)[O-])C1 ZINC000690815984 976338669 /nfs/dbraw/zinc/33/86/69/976338669.db2.gz CKNFPMKRTGDXIH-UTUOFQBUSA-N 0 0 304.412 0.453 10 0 DCAERN Cc1c(C(=O)[O-])cc(C[NH2+]CCCCS(C)(=O)=O)n1C ZINC000692794822 976547792 /nfs/dbraw/zinc/54/77/92/976547792.db2.gz KYYZZARRBVPJDT-UHFFFAOYSA-N 0 0 302.396 0.946 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181257108 199272109 /nfs/dbraw/zinc/27/21/09/199272109.db2.gz LLHJNZPUBRFNOH-GFCCVEGCSA-N 0 0 317.411 0.022 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000170720484 282124866 /nfs/dbraw/zinc/12/48/66/282124866.db2.gz BPRLXRVNVRXCGQ-SNVBAGLBSA-N 0 0 324.344 0.568 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000078885600 185123310 /nfs/dbraw/zinc/12/33/10/185123310.db2.gz YSDBCTLUNAJKIO-UHFFFAOYSA-N 0 0 318.377 0.656 10 0 DCAERN CCS(=O)(=O)NCCNc1ncncc1Br ZINC000309973207 231110892 /nfs/dbraw/zinc/11/08/92/231110892.db2.gz QUARHQFGRURGBK-UHFFFAOYSA-N 0 0 309.189 0.590 10 0 DCAERN CCC(CC)CS(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366152208 282169829 /nfs/dbraw/zinc/16/98/29/282169829.db2.gz AFTIYMIRUCTTMH-CYBMUJFWSA-N 0 0 317.411 0.426 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1C[C@H]1C ZINC000087899864 185236336 /nfs/dbraw/zinc/23/63/36/185236336.db2.gz UHFMTHGETBLDHR-SFYZADRCSA-N 0 0 314.363 0.489 10 0 DCAERN CCn1ccnc(N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)c1=O ZINC000275625057 529550089 /nfs/dbraw/zinc/55/00/89/529550089.db2.gz RVYPABBFBIHJGU-LLVKDONJSA-N 0 0 316.365 0.840 10 0 DCAERN CCc1cnccc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181278800 529669970 /nfs/dbraw/zinc/66/99/70/529669970.db2.gz OAIAZRHWPSUGPV-NSHDSACASA-N 0 0 311.407 0.750 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000181382274 199288290 /nfs/dbraw/zinc/28/82/90/199288290.db2.gz SJJWNZBEIBVQLP-LLVKDONJSA-N 0 0 304.350 0.815 10 0 DCAERN O=S(=O)(CCCc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000181431783 199295907 /nfs/dbraw/zinc/29/59/07/199295907.db2.gz RDXGSTWMVHDRRS-STQMWFEESA-N 0 0 318.416 0.192 10 0 DCAERN CNC(=O)NCC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000275646277 529884444 /nfs/dbraw/zinc/88/44/44/529884444.db2.gz NXMKDODAMNOPSW-LLVKDONJSA-N 0 0 321.381 0.056 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000179273483 529902655 /nfs/dbraw/zinc/90/26/55/529902655.db2.gz XPYPZTXFGFDDDD-AVGNSLFASA-N 0 0 312.414 0.016 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCc1cccc(C(N)=O)c1)C(C)C ZINC000178426336 529919573 /nfs/dbraw/zinc/91/95/73/529919573.db2.gz GLHHLJZFWMSOMA-CYBMUJFWSA-N 0 0 320.393 0.398 10 0 DCAERN C[C@@H](C(=O)N1CC(n2ccnn2)C1)n1nnnc1C(C)(C)C ZINC000368605646 295714674 /nfs/dbraw/zinc/71/46/74/295714674.db2.gz UBPWWIQBNGEFJG-VIFPVBQESA-N 0 0 304.358 0.207 10 0 DCAERN CCc1nnc(CN2CCN(c3nccc(OC)n3)CC2)[nH]1 ZINC000181686622 199338583 /nfs/dbraw/zinc/33/85/83/199338583.db2.gz DGDLMQQYGTTYBP-UHFFFAOYSA-N 0 0 303.370 0.488 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)c(F)c1 ZINC000301956482 530030465 /nfs/dbraw/zinc/03/04/65/530030465.db2.gz LXOKDRUAQUBMMK-NOZJJQNGSA-N 0 0 302.371 0.941 10 0 DCAERN CCC1(CC)CN(C(=O)C2(C(=O)NC)CC2)CC[S@@]1=O ZINC000186807048 282356736 /nfs/dbraw/zinc/35/67/36/282356736.db2.gz CHTUYJLAMCPOAH-HXUWFJFHSA-N 0 0 300.424 0.662 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000181747990 199347063 /nfs/dbraw/zinc/34/70/63/199347063.db2.gz COJMXRUPZRDBCR-CQSZACIVSA-N 0 0 315.373 0.803 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000181799262 199353804 /nfs/dbraw/zinc/35/38/04/199353804.db2.gz DYHCUNIJPLMPGH-JSGCOSHPSA-N 0 0 323.441 0.888 10 0 DCAERN COCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111345601 185585115 /nfs/dbraw/zinc/58/51/15/185585115.db2.gz OJGYHECKZBLCQY-ZDUSSCGKSA-N 0 0 317.411 0.177 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cn1 ZINC000181942059 199365759 /nfs/dbraw/zinc/36/57/59/199365759.db2.gz HMZHLSRLLANHJZ-WCQYABFASA-N 0 0 323.397 0.644 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000154687766 295774910 /nfs/dbraw/zinc/77/49/10/295774910.db2.gz BPMMKKCMVUZNDX-QMMMGPOBSA-N 0 0 316.345 0.562 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000153911971 295789944 /nfs/dbraw/zinc/78/99/44/295789944.db2.gz HNXKKZUGVZTJOX-KGLIPLIRSA-N 0 0 319.409 0.383 10 0 DCAERN Cc1nccn1CCNC(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000287016400 219272068 /nfs/dbraw/zinc/27/20/68/219272068.db2.gz LFHJUJCDXBDWKM-HNNXBMFYSA-N 0 0 308.382 0.783 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1COc2ccccc2C1=O ZINC000181545906 282630516 /nfs/dbraw/zinc/63/05/16/282630516.db2.gz AANXPZYFEDDVSY-LLVKDONJSA-N 0 0 313.313 0.498 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000170894397 197847747 /nfs/dbraw/zinc/84/77/47/197847747.db2.gz HZIOHLQOQZGEQJ-ZDUSSCGKSA-N 0 0 323.397 0.868 10 0 DCAERN O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CCCOC1 ZINC000170937173 197855685 /nfs/dbraw/zinc/85/56/85/197855685.db2.gz ISIFAHLTJPNHDZ-JTQLQIEISA-N 0 0 318.420 0.712 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000171488294 186167843 /nfs/dbraw/zinc/16/78/43/186167843.db2.gz WQKATRYTKVZIFO-ZIAGYGMSSA-N 0 0 301.346 0.917 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2ccc(NC=O)cc2)C[C@@H]1C ZINC000173291600 186172590 /nfs/dbraw/zinc/17/25/90/186172590.db2.gz QCDINXLCZGIIRE-QWHCGFSZSA-N 0 0 305.378 0.782 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)cc1F ZINC000179687454 186205516 /nfs/dbraw/zinc/20/55/16/186205516.db2.gz ANLIBDMLKDUZAH-NSHDSACASA-N 0 0 302.327 0.009 10 0 DCAERN CNC(=O)[C@@H]1CCCN(C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000265143441 186339128 /nfs/dbraw/zinc/33/91/28/186339128.db2.gz NVTPQECRXFWBSY-GFCCVEGCSA-N 0 0 319.409 0.887 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCCOC3)cc12 ZINC000171540451 197938419 /nfs/dbraw/zinc/93/84/19/197938419.db2.gz ALFGLHHBZWXURM-SNVBAGLBSA-N 0 0 310.379 0.734 10 0 DCAERN O=C(NC[C@@H]1CCCOC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171903501 198005408 /nfs/dbraw/zinc/00/54/08/198005408.db2.gz SORWLTVLCVMWCQ-KBPBESRZSA-N 0 0 308.382 0.720 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000172054327 198031965 /nfs/dbraw/zinc/03/19/65/198031965.db2.gz ACLICSMGQYIJGH-GXTWGEPZSA-N 0 0 312.435 0.709 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172114851 198041627 /nfs/dbraw/zinc/04/16/27/198041627.db2.gz KKYPJADXZQEEKJ-GFCCVEGCSA-N 0 0 307.398 0.834 10 0 DCAERN Cc1cnn(CCNC(=O)NCCc2cccc(C(N)=O)c2)c1 ZINC000172285628 198070725 /nfs/dbraw/zinc/07/07/25/198070725.db2.gz UJVHTLJNBYDLAR-UHFFFAOYSA-N 0 0 315.377 0.832 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000172372626 198086729 /nfs/dbraw/zinc/08/67/29/198086729.db2.gz LULDSFCQYZVYQN-NSHDSACASA-N 0 0 321.402 0.990 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC(Cn3cccn3)CC2)C1 ZINC000172376134 198088149 /nfs/dbraw/zinc/08/81/49/198088149.db2.gz KYHZYSKGJNTWQO-HNNXBMFYSA-N 0 0 321.425 0.635 10 0 DCAERN CNc1cc([C@H]2CN(C(=O)c3ccn(C)n3)CCO2)nc(C)n1 ZINC000072387812 191145984 /nfs/dbraw/zinc/14/59/84/191145984.db2.gz KOZRAVZUSZVWGO-CYBMUJFWSA-N 0 0 316.365 0.774 10 0 DCAERN Cc1nc(N)cc([C@@H]2CN(C(=O)c3ccn(C)n3)CCO2)n1 ZINC000072387809 191146972 /nfs/dbraw/zinc/14/69/72/191146972.db2.gz IMVVJABZIQUNRD-LBPRGKRZSA-N 0 0 302.338 0.314 10 0 DCAERN COC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccco3)c2nc1N ZINC000072417081 191155214 /nfs/dbraw/zinc/15/52/14/191155214.db2.gz JURLXMJWANZYCX-UHFFFAOYSA-N 0 0 316.273 0.095 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1nc(-c3ccco3)nn12 ZINC000072462380 191172603 /nfs/dbraw/zinc/17/26/03/191172603.db2.gz QCYRVIMPEVIWGH-UHFFFAOYSA-N 0 0 313.277 0.382 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)ncn1 ZINC000173444569 198215434 /nfs/dbraw/zinc/21/54/34/198215434.db2.gz YTJOMEQULKEVFK-GFCCVEGCSA-N 0 0 315.381 0.651 10 0 DCAERN O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)CC1 ZINC000173508554 198222766 /nfs/dbraw/zinc/22/27/66/198222766.db2.gz HRCBEDZBNSCTHR-STQMWFEESA-N 0 0 316.357 0.910 10 0 DCAERN Cc1cc(N2CC[C@@H](N(C)CCN3CCOCC3)C2=O)n(C)n1 ZINC000173643708 198235299 /nfs/dbraw/zinc/23/52/99/198235299.db2.gz JRQLVWWTOTYEDI-CQSZACIVSA-N 0 0 321.425 0.098 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)C2CC2)ncn1 ZINC000173901340 198266291 /nfs/dbraw/zinc/26/62/91/198266291.db2.gz YOVBBRFIEXURRX-JTQLQIEISA-N 0 0 311.411 0.569 10 0 DCAERN Cc1cccc(OCCC(=O)N[C@@H]2CCC(=O)NC2=O)c1C ZINC000174270600 198312836 /nfs/dbraw/zinc/31/28/36/198312836.db2.gz IIAYUZUBVMWEJR-GFCCVEGCSA-N 0 0 304.346 0.994 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N(Cc1ccccc1)CC(F)F ZINC000174627312 198361672 /nfs/dbraw/zinc/36/16/72/198361672.db2.gz DNSQSQXCJIYQGH-UHFFFAOYSA-N 0 0 311.288 0.832 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000174905907 198399842 /nfs/dbraw/zinc/39/98/42/198399842.db2.gz FBJVWOZHZRQBRQ-OAHLLOKOSA-N 0 0 307.350 0.233 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCS(C)(=O)=O ZINC000176112687 198547648 /nfs/dbraw/zinc/54/76/48/198547648.db2.gz JUXDATHNISZPHD-LBPRGKRZSA-N 0 0 314.411 0.410 10 0 DCAERN CCCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000302001514 283020187 /nfs/dbraw/zinc/02/01/87/283020187.db2.gz QSQYRWODSFCXLG-STQMWFEESA-N 0 0 316.423 0.423 10 0 DCAERN C[C@@H](CO)N(C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000182553141 199457831 /nfs/dbraw/zinc/45/78/31/199457831.db2.gz XYWBRHMIXJNHEC-AAEUAGOBSA-N 0 0 306.366 0.599 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000182861910 199502276 /nfs/dbraw/zinc/50/22/76/199502276.db2.gz PMGARILITUDLDN-MRXNPFEDSA-N 0 0 318.377 0.849 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000370703062 283073084 /nfs/dbraw/zinc/07/30/84/283073084.db2.gz RKOGTMLWFSIYCN-CYBMUJFWSA-N 0 0 306.428 0.843 10 0 DCAERN CN1CC[C@H](Nc2cnn(C)c(=O)c2Br)C1=O ZINC000078020686 191807460 /nfs/dbraw/zinc/80/74/60/191807460.db2.gz QPHMXNWZTBRWGO-LURJTMIESA-N 0 0 301.144 0.185 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)[nH]n1 ZINC000080898279 192199403 /nfs/dbraw/zinc/19/94/03/192199403.db2.gz JYNTXIAYBICWRV-OAHLLOKOSA-N 0 0 310.398 0.346 10 0 DCAERN C[C@@](O)(CNC(=O)c1cc(F)cc(F)c1)CN1CCOCC1 ZINC000080893565 192199903 /nfs/dbraw/zinc/19/99/03/192199903.db2.gz ZKWSVOKSDGUWGO-OAHLLOKOSA-N 0 0 314.332 0.778 10 0 DCAERN Cn1c2nnc(CSC[C@H](O)CO)n2c2ccccc2c1=O ZINC000177441839 198725010 /nfs/dbraw/zinc/72/50/10/198725010.db2.gz ISJDLJTYCRDXPQ-SECBINFHSA-N 0 0 320.374 0.168 10 0 DCAERN CN1CCO[C@H](C(=O)NCc2ccnc(-n3ccnc3)c2)C1 ZINC000081300637 192248293 /nfs/dbraw/zinc/24/82/93/192248293.db2.gz PNHZNBWXVBDOKN-ZDUSSCGKSA-N 0 0 301.350 0.214 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1-n1cnnn1 ZINC000081588605 192298426 /nfs/dbraw/zinc/29/84/26/192298426.db2.gz AOYSPVYYKYIYHQ-LBPRGKRZSA-N 0 0 324.348 0.827 10 0 DCAERN COCCn1nc(C(=O)NCCCc2ccccn2)ccc1=O ZINC000178620294 198897836 /nfs/dbraw/zinc/89/78/36/198897836.db2.gz LQXMMJRXMYRSGW-UHFFFAOYSA-N 0 0 316.361 0.647 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCc2ccccc2O)cn1 ZINC000179461955 199040320 /nfs/dbraw/zinc/04/03/20/199040320.db2.gz XTASKUGTNYCOCX-UHFFFAOYSA-N 0 0 317.349 0.699 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc2sc(C)cn2c1=O ZINC000179851690 199088612 /nfs/dbraw/zinc/08/86/12/199088612.db2.gz ARFUHTHKDJHOOA-SNVBAGLBSA-N 0 0 320.374 0.415 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2cccs2)on1 ZINC000180204526 283328638 /nfs/dbraw/zinc/32/86/38/283328638.db2.gz QVNLSAVSRIOQQH-VIFPVBQESA-N 0 0 307.331 0.729 10 0 DCAERN CCn1cc(C(=O)N2CCOC[C@H]2C(N)=O)c2ccccc21 ZINC000180197518 199129573 /nfs/dbraw/zinc/12/95/73/199129573.db2.gz NVDUWYJETNEQLM-AWEZNQCLSA-N 0 0 301.346 0.988 10 0 DCAERN COC(=O)C1CCC(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000180146737 199123040 /nfs/dbraw/zinc/12/30/40/199123040.db2.gz ZOKXEGNGKUTPIY-WXRRBKDZSA-N 0 0 320.393 0.997 10 0 DCAERN COCCCOCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000180684673 199196994 /nfs/dbraw/zinc/19/69/94/199196994.db2.gz ADWKIGUQTSUULV-CQSZACIVSA-N 0 0 311.382 0.472 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)[C@H](C)c2cnn(C)c2)C1 ZINC000180822848 199213170 /nfs/dbraw/zinc/21/31/70/199213170.db2.gz GAZISWJDDDTRBY-DGCLKSJQSA-N 0 0 322.413 0.926 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)cn1C ZINC000180966735 199235101 /nfs/dbraw/zinc/23/51/01/199235101.db2.gz ONDFNDUJYJKJPL-JTQLQIEISA-N 0 0 315.395 0.184 10 0 DCAERN COc1ccc(C(=O)NC(C)(C)C(N)=O)nc1Br ZINC000181131853 199255322 /nfs/dbraw/zinc/25/53/22/199255322.db2.gz XSUXMNFUYQRHDX-UHFFFAOYSA-N 0 0 316.155 0.846 10 0 DCAERN Cc1ccc2c(c1)[C@H](NC(=O)CN1CC(=O)NC1=O)[C@@H](C)C2 ZINC000181113155 199253859 /nfs/dbraw/zinc/25/38/59/199253859.db2.gz JBVDCVXVMFLEOA-ZUZCIYMTSA-N 0 0 301.346 0.896 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cnn2c1CCCC2 ZINC000181197074 199263548 /nfs/dbraw/zinc/26/35/48/199263548.db2.gz GQZXDLZUZRQBGM-NSHDSACASA-N 0 0 302.378 0.960 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000128384738 236964623 /nfs/dbraw/zinc/96/46/23/236964623.db2.gz GRKDJLXGOGAGRV-TUAOUCFPSA-N 0 0 308.444 0.679 10 0 DCAERN C[C@H]1C[C@H](C)CN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000155112386 237038262 /nfs/dbraw/zinc/03/82/62/237038262.db2.gz ZVFCVVFIFVTJMZ-STQMWFEESA-N 0 0 316.467 1.000 10 0 DCAERN Cc1c(C(=O)N2[C@@H](C)COC[C@@H]2C)cccc1S(N)(=O)=O ZINC000155722949 237042417 /nfs/dbraw/zinc/04/24/17/237042417.db2.gz LJDFYPZYWZLEOF-UWVGGRQHSA-N 0 0 312.391 0.892 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000155769791 237046785 /nfs/dbraw/zinc/04/67/85/237046785.db2.gz BEBFZACRUHNXNZ-NXEZZACHSA-N 0 0 307.325 0.877 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)C[C@H](C)O1 ZINC000157225597 237057843 /nfs/dbraw/zinc/05/78/43/237057843.db2.gz QJZHLEOHBPHYKU-GRYCIOLGSA-N 0 0 306.428 0.576 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000329376742 283442523 /nfs/dbraw/zinc/44/25/23/283442523.db2.gz LNMYETSRDITKMT-NEPJUHHUSA-N 0 0 316.423 0.628 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000175140093 237179501 /nfs/dbraw/zinc/17/95/01/237179501.db2.gz SGGHVVJIZDULNU-QWRGUYRKSA-N 0 0 314.411 0.345 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000179589820 237249636 /nfs/dbraw/zinc/24/96/36/237249636.db2.gz QSDQPCMVQXVLRT-JTQLQIEISA-N 0 0 310.354 0.371 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H](CO)Cc1ccccc1 ZINC000179795719 237252699 /nfs/dbraw/zinc/25/26/99/237252699.db2.gz BAIKWLLNBVIGET-AWEZNQCLSA-N 0 0 313.357 0.531 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CCOCC1 ZINC000180308831 237253387 /nfs/dbraw/zinc/25/33/87/237253387.db2.gz HQERDEJVFLCCFD-NWDGAFQWSA-N 0 0 318.439 0.541 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc2c(c1O)CCCC2 ZINC000183383902 237279438 /nfs/dbraw/zinc/27/94/38/237279438.db2.gz UPQXAZMGOWMMCR-GFCCVEGCSA-N 0 0 302.330 0.806 10 0 DCAERN C[C@@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000182476005 237272435 /nfs/dbraw/zinc/27/24/35/237272435.db2.gz NZDFITQZJQUBLZ-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H](O)C(F)(F)F)[C@H](C)CO1 ZINC000186281936 237311607 /nfs/dbraw/zinc/31/16/07/237311607.db2.gz WXPVFTFDTDFOJJ-HLTSFMKQSA-N 0 0 320.333 0.195 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000186722161 237320024 /nfs/dbraw/zinc/32/00/24/237320024.db2.gz BRTUZODHGYQUHS-BXUZGUMPSA-N 0 0 306.362 0.654 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCN1CCO ZINC000187732261 200149849 /nfs/dbraw/zinc/14/98/49/200149849.db2.gz DTRWEYBQRUCODR-LBPRGKRZSA-N 0 0 324.425 0.909 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000128304365 295997045 /nfs/dbraw/zinc/99/70/45/295997045.db2.gz AKYNVVQATMVUML-BZPMIXESSA-N 0 0 318.377 0.790 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000189217419 237390700 /nfs/dbraw/zinc/39/07/00/237390700.db2.gz SYHPQGCUCQXBHM-QWHCGFSZSA-N 0 0 308.378 0.315 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C[C@H](C)O)[C@@H](C)CO)cnc12 ZINC000189265752 237396644 /nfs/dbraw/zinc/39/66/44/237396644.db2.gz WZSBINAHELEYQX-RYUDHWBXSA-N 0 0 319.361 0.207 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)c1c(C)noc1C ZINC000281141214 216107483 /nfs/dbraw/zinc/10/74/83/216107483.db2.gz JSIGCRFFHUVMHZ-MRVPVSSYSA-N 0 0 306.365 0.528 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)c1cccc(-n2cncn2)c1 ZINC000154320361 291212544 /nfs/dbraw/zinc/21/25/44/291212544.db2.gz RFVFDQQIUMVRGV-UHFFFAOYSA-N 0 0 301.350 0.769 10 0 DCAERN CSCCC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000154949244 291217105 /nfs/dbraw/zinc/21/71/05/291217105.db2.gz PLJLVKQNGNOJFI-ZDUSSCGKSA-N 0 0 313.467 0.895 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000155212293 291218556 /nfs/dbraw/zinc/21/85/56/291218556.db2.gz YGPYRTFFZAZSPM-NSHDSACASA-N 0 0 321.381 0.218 10 0 DCAERN CCc1noc(C)c1NC(=O)NCCCNS(=O)(=O)CC ZINC000155273500 291218622 /nfs/dbraw/zinc/21/86/22/291218622.db2.gz SPHDHDUVTJNBEW-UHFFFAOYSA-N 0 0 318.399 0.996 10 0 DCAERN COCCCOC1CN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000155342882 291219306 /nfs/dbraw/zinc/21/93/06/291219306.db2.gz DQZZHPFUYMTWNZ-UHFFFAOYSA-N 0 0 303.384 0.155 10 0 DCAERN CC(C)n1nnnc1CN1C(=O)N[C@@](C)(c2cccnc2)C1=O ZINC000155698649 291221209 /nfs/dbraw/zinc/22/12/09/291221209.db2.gz GLZGQXDJZCZJFQ-AWEZNQCLSA-N 0 0 315.337 0.616 10 0 DCAERN CCCC(=O)NCC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000156057145 291223039 /nfs/dbraw/zinc/22/30/39/291223039.db2.gz GVTMEYAOKWIOAU-UHFFFAOYSA-N 0 0 306.288 0.971 10 0 DCAERN COCCc1cc(NC(=O)c2cccc(C(N)=O)c2)n(C)n1 ZINC000156725884 291226045 /nfs/dbraw/zinc/22/60/45/291226045.db2.gz BPJUABQREKINEU-UHFFFAOYSA-N 0 0 302.334 0.960 10 0 DCAERN COCCc1cc(NC(=O)CCCNC(=O)C2CC2)n(C)n1 ZINC000156503631 291225094 /nfs/dbraw/zinc/22/50/94/291225094.db2.gz SCRFXPPNQMXKPP-UHFFFAOYSA-N 0 0 308.382 0.854 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)Cn1nc2ccccn2c1=O ZINC000089881452 192892581 /nfs/dbraw/zinc/89/25/81/192892581.db2.gz CNQRATFWUAUVFT-NSHDSACASA-N 0 0 320.349 0.344 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000163025531 291245730 /nfs/dbraw/zinc/24/57/30/291245730.db2.gz BFDGIEJBAPYMQZ-BXUZGUMPSA-N 0 0 306.362 0.683 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1F ZINC000164289381 291247772 /nfs/dbraw/zinc/24/77/72/291247772.db2.gz KVZMRMAAAZHQPT-GFCCVEGCSA-N 0 0 307.325 0.674 10 0 DCAERN Cn1cc(CC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cn1 ZINC000276553017 238325125 /nfs/dbraw/zinc/32/51/25/238325125.db2.gz SEHYVVWHCAGTLK-OAHLLOKOSA-N 0 0 306.410 0.532 10 0 DCAERN C[C@H](C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1)c1ccccc1 ZINC000276658161 238325165 /nfs/dbraw/zinc/32/51/65/238325165.db2.gz YPLQLHQJMFQQNC-DZGCQCFKSA-N 0 0 319.405 0.435 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1CCO[C@@H](CO)C1)OCO2 ZINC000281410136 216281850 /nfs/dbraw/zinc/28/18/50/216281850.db2.gz HUKQRGXUXKXIIV-SNVBAGLBSA-N 0 0 315.347 0.106 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CC2CC(O)C2)cc1 ZINC000091499503 193065183 /nfs/dbraw/zinc/06/51/83/193065183.db2.gz ZQRVEGWMDJDDBP-UHFFFAOYSA-N 0 0 312.391 0.438 10 0 DCAERN Cc1nn(C)c(CNC[C@H]2CN(C)CCO2)c1Br ZINC000091670961 193089266 /nfs/dbraw/zinc/08/92/66/193089266.db2.gz CBZGAKQALJUNDA-JTQLQIEISA-N 0 0 317.231 0.911 10 0 DCAERN CCn1cc(CC(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc21 ZINC000091783901 193107677 /nfs/dbraw/zinc/10/76/77/193107677.db2.gz XMWQXWZDJZTDDH-OAHLLOKOSA-N 0 0 315.373 0.916 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(OC(F)F)cc1 ZINC000091784010 193108020 /nfs/dbraw/zinc/10/80/20/193108020.db2.gz BLDSFHZITOFIKK-SNVBAGLBSA-N 0 0 300.261 0.614 10 0 DCAERN CC(C)(C)c1nc(CC(=O)N2CCOC[C@H]2C(N)=O)cs1 ZINC000091785658 193108704 /nfs/dbraw/zinc/10/87/04/193108704.db2.gz FOYJDXHTEKYQHP-JTQLQIEISA-N 0 0 311.407 0.696 10 0 DCAERN C[C@@H](Cc1ccccc1)C(=O)NCCOCCS(N)(=O)=O ZINC000457835075 241041422 /nfs/dbraw/zinc/04/14/22/241041422.db2.gz LPWPYYOXTJMACS-LBPRGKRZSA-N 0 0 314.407 0.287 10 0 DCAERN O=C(CNC(=O)C1CC1)N1CCO[C@H](COc2ccccc2)C1 ZINC000567815178 291379579 /nfs/dbraw/zinc/37/95/79/291379579.db2.gz XJIOXWGIXNLBPS-HNNXBMFYSA-N 0 0 318.373 0.819 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)N1CCNC(=O)C1 ZINC000567991754 291395741 /nfs/dbraw/zinc/39/57/41/291395741.db2.gz NSPQVDJDODQVKU-NSHDSACASA-N 0 0 305.334 0.358 10 0 DCAERN Cc1ccc(NC(=O)CN2CCOC[C@@H]2C(N)=O)cc1Cl ZINC000092230044 193177592 /nfs/dbraw/zinc/17/75/92/193177592.db2.gz MAHPAZBOJHWPKR-GFCCVEGCSA-N 0 0 311.769 0.773 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CSCN2C(C)=O)C[C@H]1C ZINC000408321707 284046231 /nfs/dbraw/zinc/04/62/31/284046231.db2.gz RUUKZLDKYWNAHP-YUSALJHKSA-N 0 0 314.407 0.565 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000195180972 261150505 /nfs/dbraw/zinc/15/05/05/261150505.db2.gz KHETVZWDTBSJHT-GFCCVEGCSA-N 0 0 320.459 0.098 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000571349483 291510435 /nfs/dbraw/zinc/51/04/35/291510435.db2.gz WWWZRSVWNMUVHT-WDNDVIMCSA-N 0 0 310.375 0.592 10 0 DCAERN O=S(=O)(CC1CC1)NCc1cccnc1N1CCOCC1 ZINC000265029395 204351363 /nfs/dbraw/zinc/35/13/63/204351363.db2.gz FPBIBQRENBRHAA-UHFFFAOYSA-N 0 0 311.407 0.748 10 0 DCAERN CC(C)n1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000265233903 204473308 /nfs/dbraw/zinc/47/33/08/204473308.db2.gz CTIAEUPFNOHYGI-SNVBAGLBSA-N 0 0 300.384 0.228 10 0 DCAERN COc1cncc(S(=O)(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000282482010 217029208 /nfs/dbraw/zinc/02/92/08/217029208.db2.gz FGWFYXBYUCDISJ-ZDUSSCGKSA-N 0 0 314.363 0.270 10 0 DCAERN CC(=O)[C@H](NC(=O)CSc1n[nH]c(=O)n1C1CC1)C(C)C ZINC000014142462 181929678 /nfs/dbraw/zinc/92/96/78/181929678.db2.gz FDDICCZXRYWHCX-LLVKDONJSA-N 0 0 312.395 0.728 10 0 DCAERN CCN(C)S(=O)(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000245469942 284358878 /nfs/dbraw/zinc/35/88/78/284358878.db2.gz VUMNVWJBJZYXMB-ZDUSSCGKSA-N 0 0 311.407 0.746 10 0 DCAERN COC(=O)CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000020113839 182188116 /nfs/dbraw/zinc/18/81/16/182188116.db2.gz HEZCBQFVZHOOTB-UHFFFAOYSA-N 0 0 300.336 0.439 10 0 DCAERN NNc1nnc(SCC(=O)Nc2ccccc2Cl)n1N ZINC000020508085 182226094 /nfs/dbraw/zinc/22/60/94/182226094.db2.gz ZERBLMIIBRYVIM-UHFFFAOYSA-N 0 0 313.774 0.662 10 0 DCAERN C[C@H]1CN(C[C@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000128475133 545780699 /nfs/dbraw/zinc/78/06/99/545780699.db2.gz DDPPXTPXDGNEOC-RYUDHWBXSA-N 0 0 323.359 0.538 10 0 DCAERN COC[C@H](C)NS(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000021509609 182276327 /nfs/dbraw/zinc/27/63/27/182276327.db2.gz AKDBIZNKNIXGBO-VIFPVBQESA-N 0 0 302.421 0.775 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC(C)(C)CCO ZINC000573378554 291628634 /nfs/dbraw/zinc/62/86/34/291628634.db2.gz MTHROOONMINPDC-UHFFFAOYSA-N 0 0 321.377 0.885 10 0 DCAERN O=C(NCCn1ncnn1)c1ncsc1Br ZINC000573694815 291649030 /nfs/dbraw/zinc/64/90/30/291649030.db2.gz CBMSRUNSQVAMKW-UHFFFAOYSA-N 0 0 303.145 0.322 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000276033323 291654497 /nfs/dbraw/zinc/65/44/97/291654497.db2.gz DWCJTYUSYWYBMT-NHCYSSNCSA-N 0 0 313.379 0.382 10 0 DCAERN CCCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(CO)c1 ZINC000037980266 182950839 /nfs/dbraw/zinc/95/08/39/182950839.db2.gz IHUJUFPKIMDRCS-SNVBAGLBSA-N 0 0 300.380 0.835 10 0 DCAERN COC(=O)Cn1cc(NC(=O)CCOCC(F)(F)F)cn1 ZINC000038030490 182972723 /nfs/dbraw/zinc/97/27/23/182972723.db2.gz XFGRCCDWDWLMHR-UHFFFAOYSA-N 0 0 309.244 0.964 10 0 DCAERN COc1ccc(CC(=O)N2CCN(CC(N)=S)CC2)cc1 ZINC000041540219 183200564 /nfs/dbraw/zinc/20/05/64/183200564.db2.gz IZHUGJBEJOOTQA-UHFFFAOYSA-N 0 0 307.419 0.668 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)NCCC(N)=S)cc1 ZINC000041513212 183195817 /nfs/dbraw/zinc/19/58/17/183195817.db2.gz PZAYRHSLQSAMNR-UHFFFAOYSA-N 0 0 301.393 0.600 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)Cc1cc(C)on1 ZINC000042716651 183300892 /nfs/dbraw/zinc/30/08/92/183300892.db2.gz NUELKNWPALHVPJ-LLVKDONJSA-N 0 0 302.352 0.840 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000104358856 194001690 /nfs/dbraw/zinc/00/16/90/194001690.db2.gz GPKVNLLEVPEPKR-JTQLQIEISA-N 0 0 318.333 0.999 10 0 DCAERN O=C(c1cn2c(n1)CCCC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000328696118 284737685 /nfs/dbraw/zinc/73/76/85/284737685.db2.gz GPQFHWZEKNNILD-CYBMUJFWSA-N 0 0 304.394 0.766 10 0 DCAERN CNC(=O)c1cccc(NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000105283151 194092854 /nfs/dbraw/zinc/09/28/54/194092854.db2.gz QUTKSQRZKHPEKY-CYBMUJFWSA-N 0 0 306.366 0.498 10 0 DCAERN CCOC(=O)[C@H](C)N1CCN(c2ccc3nncn3n2)CC1 ZINC000105817407 194136073 /nfs/dbraw/zinc/13/60/73/194136073.db2.gz JSGFJJDVEMFAPU-NSHDSACASA-N 0 0 304.354 0.198 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CCN([C@@H](C)C(N)=O)CC1 ZINC000105870326 194152272 /nfs/dbraw/zinc/15/22/72/194152272.db2.gz GGJLCHGPHVYHLL-JTQLQIEISA-N 0 0 313.833 0.627 10 0 DCAERN CCCCOC(=O)CN1CCN(c2ccc3nncn3n2)CC1 ZINC000105911315 194170098 /nfs/dbraw/zinc/17/00/98/194170098.db2.gz GEFFBBKFBCHLOR-UHFFFAOYSA-N 0 0 318.381 0.590 10 0 DCAERN COC(=O)CC[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000105987341 194176953 /nfs/dbraw/zinc/17/69/53/194176953.db2.gz KGOKBGOJUHXFJI-CHWSQXEVSA-N 0 0 304.346 0.933 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000106381515 194204922 /nfs/dbraw/zinc/20/49/22/194204922.db2.gz PEAVFETWPKDHQK-GFCCVEGCSA-N 0 0 316.398 0.903 10 0 DCAERN C[C@H](C(=O)NCCOc1ccc(F)cc1F)S(C)(=O)=O ZINC000106656436 194241242 /nfs/dbraw/zinc/24/12/42/194241242.db2.gz AADOIXNTVYSUJK-MRVPVSSYSA-N 0 0 307.318 0.893 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)N2CCS(=O)CC2)c1 ZINC000049692464 183754374 /nfs/dbraw/zinc/75/43/74/183754374.db2.gz QAMJFWFBZKKKNP-UHFFFAOYSA-N 0 0 308.812 0.675 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000050638427 183793166 /nfs/dbraw/zinc/79/31/66/183793166.db2.gz XIGNHGMUEZILBS-ZDUSSCGKSA-N 0 0 307.325 0.891 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N(C)Cc1ccc(C)o1 ZINC000109929118 194297897 /nfs/dbraw/zinc/29/78/97/194297897.db2.gz IJOPOMIGPWCXDT-UHFFFAOYSA-N 0 0 309.366 0.579 10 0 DCAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(N)=O ZINC000053394823 183900804 /nfs/dbraw/zinc/90/08/04/183900804.db2.gz RTQNDIDFVOEZHG-GMXVVIOVSA-N 0 0 305.378 0.821 10 0 DCAERN Cn1c(=O)ccn(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1=O ZINC000110445487 194331606 /nfs/dbraw/zinc/33/16/06/194331606.db2.gz RPZUKXMPZPRRGL-ZIAGYGMSSA-N 0 0 313.357 0.467 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC000110903760 194368138 /nfs/dbraw/zinc/36/81/38/194368138.db2.gz NWNXRLWLIYLOFQ-CHWSQXEVSA-N 0 0 306.366 0.006 10 0 DCAERN CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCC(=O)NC2)cc1 ZINC000110906322 194368900 /nfs/dbraw/zinc/36/89/00/194368900.db2.gz XVFBJWSDUIHCRX-NSHDSACASA-N 0 0 311.363 0.067 10 0 DCAERN Cn1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1=O ZINC000110953239 194373097 /nfs/dbraw/zinc/37/30/97/194373097.db2.gz UQHGGUODYQIFMF-HNNXBMFYSA-N 0 0 319.405 0.712 10 0 DCAERN CN(C)c1c(Cl)cccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000058397649 184113027 /nfs/dbraw/zinc/11/30/27/184113027.db2.gz UBFBCQFEGQCKDD-VIFPVBQESA-N 0 0 310.741 0.943 10 0 DCAERN Cn1nccc1CNC(=O)NCCNC(=O)c1cccnc1 ZINC000061945386 184197735 /nfs/dbraw/zinc/19/77/35/184197735.db2.gz DNCIFQDHTQAHOO-UHFFFAOYSA-N 0 0 302.338 0.044 10 0 DCAERN C[N@@H+]1C[C@H]2CN(C(=O)c3cnn4ccccc34)C[C@@]2(C(=O)[O-])C1 ZINC000065410291 184339836 /nfs/dbraw/zinc/33/98/36/184339836.db2.gz VQVBZVLPIVBIPT-ZBEGNZNMSA-N 0 0 314.345 0.423 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000112906433 194533630 /nfs/dbraw/zinc/53/36/30/194533630.db2.gz GFMKFTYLPFFGIC-AAEUAGOBSA-N 0 0 318.377 0.934 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000088775928 252590131 /nfs/dbraw/zinc/59/01/31/252590131.db2.gz FXQCFZJYWCVODF-QWRGUYRKSA-N 0 0 312.457 0.376 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)c1ccc2nnn(C)c2c1 ZINC000183048064 252612020 /nfs/dbraw/zinc/61/20/20/252612020.db2.gz KTUONSMGNXSGAB-UHFFFAOYSA-N 0 0 303.366 0.909 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCCOC1 ZINC000171693924 252594005 /nfs/dbraw/zinc/59/40/05/252594005.db2.gz BQFWNNNAEBMWHL-LBPRGKRZSA-N 0 0 303.366 0.969 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCN(C)C1=O ZINC000173268380 252594718 /nfs/dbraw/zinc/59/47/18/252594718.db2.gz QGGJHKZFXYVETN-ZANVPECISA-N 0 0 307.398 0.498 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)N(C(C)=O)C1 ZINC000333288002 252701088 /nfs/dbraw/zinc/70/10/88/252701088.db2.gz NVZYXHCFSGZRHJ-SBJFKYEJSA-N 0 0 310.394 0.242 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000333138166 252685766 /nfs/dbraw/zinc/68/57/66/252685766.db2.gz YDSYPMMHGLPPPE-BMNUFHGDSA-N 0 0 308.300 0.673 10 0 DCAERN O=S(=O)(NC[C@@H](O)C1CCOCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333228068 252695194 /nfs/dbraw/zinc/69/51/94/252695194.db2.gz XUCBGYSSSRDIMW-CABNGKKXSA-N 0 0 303.424 0.882 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)C[C@H]2F)C[C@@H]1c1cnn(C)c1 ZINC000333236632 252696497 /nfs/dbraw/zinc/69/64/97/252696497.db2.gz DCIUAGNYGADCFB-ZAZJYDDPSA-N 0 0 308.357 0.456 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)nc2n1 ZINC000333445608 252724074 /nfs/dbraw/zinc/72/40/74/252724074.db2.gz MSLJLRYPWXUXKM-YNEHKIRRSA-N 0 0 315.377 0.967 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)NC[C@@H](O)C2CC2)C1 ZINC000333722596 252755538 /nfs/dbraw/zinc/75/55/38/252755538.db2.gz ODYWHLIFNVDJHB-CHWSQXEVSA-N 0 0 307.398 0.459 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCCNC1=O ZINC000333733580 252757720 /nfs/dbraw/zinc/75/77/20/252757720.db2.gz QAPVBQDIJMEZCN-ZJUUUORDSA-N 0 0 306.370 0.253 10 0 DCAERN CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000333740135 252758611 /nfs/dbraw/zinc/75/86/11/252758611.db2.gz LJDZITQXJLHZSL-MYZSUADSSA-N 0 0 320.393 0.479 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000112829216 291833334 /nfs/dbraw/zinc/83/33/34/291833334.db2.gz HPUFRMPMALLZOL-VXGBXAGGSA-N 0 0 304.412 0.991 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N(C)CC(N)=O)cc1Cl ZINC000340795062 253304778 /nfs/dbraw/zinc/30/47/78/253304778.db2.gz WQYJQTCKAQDUIW-UHFFFAOYSA-N 0 0 311.725 0.425 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)O ZINC000340914190 253322301 /nfs/dbraw/zinc/32/23/01/253322301.db2.gz WBUYVDAFVKSLKZ-GHMZBOCLSA-N 0 0 321.377 0.883 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCOC2)CC1 ZINC000341663515 253407324 /nfs/dbraw/zinc/40/73/24/253407324.db2.gz XRWLSRLRDBUUCP-LBPRGKRZSA-N 0 0 320.411 0.275 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCCCS(C)(=O)=O)on1 ZINC000346147614 254016137 /nfs/dbraw/zinc/01/61/37/254016137.db2.gz JJVXJFHVKNTWMJ-UHFFFAOYSA-N 0 0 304.324 0.016 10 0 DCAERN CCC(CC)C(=O)N[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000346377668 254044539 /nfs/dbraw/zinc/04/45/39/254044539.db2.gz JMQLHJAQJVNUQQ-LBPRGKRZSA-N 0 0 305.444 0.810 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](F)C[C@H]1C(N)=O ZINC000347382698 254152619 /nfs/dbraw/zinc/15/26/19/254152619.db2.gz XCDNKIGIRNFRDA-ZANVPECISA-N 0 0 310.373 0.512 10 0 DCAERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1nc[nH]n1 ZINC000177429531 220454685 /nfs/dbraw/zinc/45/46/85/220454685.db2.gz SLSQHTSGKROCFC-SNVBAGLBSA-N 0 0 310.379 0.481 10 0 DCAERN O=C1N[C@H](c2ccc(O)c(Br)c2)N2CCOC[C@@H]12 ZINC000093884253 296395450 /nfs/dbraw/zinc/39/54/50/296395450.db2.gz XLQKWDQVVWJEHX-ONGXEEELSA-N 0 0 313.151 0.984 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000349961038 254306164 /nfs/dbraw/zinc/30/61/64/254306164.db2.gz BATRPGFKOUUUHS-ZETCQYMHSA-N 0 0 302.274 0.883 10 0 DCAERN CCn1cnc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c1 ZINC000349963391 254306217 /nfs/dbraw/zinc/30/62/17/254306217.db2.gz CSQAYBYDLQRMDK-ZETCQYMHSA-N 0 0 301.290 0.495 10 0 DCAERN C[C@H](CNC(=O)COc1ccc(F)cc1F)S(N)(=O)=O ZINC000350621019 254319951 /nfs/dbraw/zinc/31/99/51/254319951.db2.gz PPHHGFQNBXJLQX-SSDOTTSWSA-N 0 0 308.306 0.137 10 0 DCAERN COc1ccc(Cl)cc1CC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350622173 254320074 /nfs/dbraw/zinc/32/00/74/254320074.db2.gz YICNPNZVXRPLTL-QMMMGPOBSA-N 0 0 320.798 0.684 10 0 DCAERN C[C@H](CO)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000351901069 254379197 /nfs/dbraw/zinc/37/91/97/254379197.db2.gz QMULYSYMFNAAJE-SNVBAGLBSA-N 0 0 324.402 0.571 10 0 DCAERN COc1cncnc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000297343547 533155651 /nfs/dbraw/zinc/15/56/51/533155651.db2.gz FKPPWHNIHDQDPU-NEPJUHHUSA-N 0 0 321.381 0.670 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000187998946 533163139 /nfs/dbraw/zinc/16/31/39/533163139.db2.gz CICIZOXNICZASG-KGLIPLIRSA-N 0 0 312.410 0.897 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@H](C)C(F)(F)F)CC1=O ZINC000191025890 285225090 /nfs/dbraw/zinc/22/50/90/285225090.db2.gz BHQHAIKJDOARRP-MRVPVSSYSA-N 0 0 302.318 0.821 10 0 DCAERN COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccncc1Cl ZINC000184908583 291921723 /nfs/dbraw/zinc/92/17/23/291921723.db2.gz SAGKRVYXQJXUHR-LLVKDONJSA-N 0 0 318.782 0.507 10 0 DCAERN CC[N@@H+]1CCC[C@H]1CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000216053483 285284929 /nfs/dbraw/zinc/28/49/29/285284929.db2.gz VFTQFIAOSCQNOF-BLXSCJOCSA-N 0 0 306.362 0.337 10 0 DCAERN COC[C@@H]1CN(CCN2CCCS2(=O)=O)CC(C)(C)O1 ZINC000408027710 285299850 /nfs/dbraw/zinc/29/98/50/285299850.db2.gz AYNUJYQCCHAFCR-LBPRGKRZSA-N 0 0 306.428 0.148 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)CC(C)(C)O1 ZINC000284901513 285301766 /nfs/dbraw/zinc/30/17/66/285301766.db2.gz HOUKRCGDQORCGD-JTQLQIEISA-N 0 0 303.384 0.235 10 0 DCAERN C[C@@H](F)CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000563900550 288713946 /nfs/dbraw/zinc/71/39/46/288713946.db2.gz ILQZCJXMKQVPME-MRVPVSSYSA-N 0 0 310.372 0.360 10 0 DCAERN Cc1ccc(C(=O)N2CC[C@H](O)[C@H]2Cc2cnn(C)c2)cn1 ZINC000248121666 257108241 /nfs/dbraw/zinc/10/82/41/257108241.db2.gz KFVIRTUVKPFGNU-CABCVRRESA-N 0 0 300.362 0.942 10 0 DCAERN Cn1cc(CN2C[C@@H]3OC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1 ZINC000248132836 257108315 /nfs/dbraw/zinc/10/83/15/257108315.db2.gz NTAYTQNEXPHMTN-ZNMIVQPWSA-N 0 0 320.393 0.421 10 0 DCAERN COCCNC(=O)[C@@H]1C[C@H]2CCN(Cc3ccncc3)C[C@@H]2O1 ZINC000247881764 257114758 /nfs/dbraw/zinc/11/47/58/257114758.db2.gz QCFRDHBKKPXHJG-PMPSAXMXSA-N 0 0 319.405 0.824 10 0 DCAERN O=C([C@@H]1CCCO1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC000247752890 257118530 /nfs/dbraw/zinc/11/85/30/257118530.db2.gz BUXVIFALSHGFPX-KGLIPLIRSA-N 0 0 315.377 0.917 10 0 DCAERN CCS(=O)(=O)N1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000253493218 257105155 /nfs/dbraw/zinc/10/51/55/257105155.db2.gz SOLKTYBMSJVQSM-LLVKDONJSA-N 0 0 313.379 0.439 10 0 DCAERN COCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1 ZINC000096068037 257136439 /nfs/dbraw/zinc/13/64/39/257136439.db2.gz NPGRZWQVROHWEL-UHFFFAOYSA-N 0 0 318.381 0.009 10 0 DCAERN C[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000155730040 533247046 /nfs/dbraw/zinc/24/70/46/533247046.db2.gz PDUPYUYKRAOAIQ-RYUDHWBXSA-N 0 0 302.440 0.943 10 0 DCAERN COc1cccc(NC(=O)CN2CCN(CCO)[C@@H](C)C2)c1 ZINC000187722581 533601648 /nfs/dbraw/zinc/60/16/48/533601648.db2.gz CCMUMRUXUZREQF-ZDUSSCGKSA-N 0 0 307.394 0.632 10 0 DCAERN C[C@H]1CN(C(=O)c2cccn(C)c2=O)CC[N@@H+]1CC(C)(C)O ZINC000275588263 130342577 /nfs/dbraw/zinc/34/25/77/130342577.db2.gz KYJUJHPPTAJYJX-LBPRGKRZSA-N 0 0 307.394 0.303 10 0 DCAERN Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CSC3(C)C)C2=O)cn1 ZINC000283673364 131012130 /nfs/dbraw/zinc/01/21/30/131012130.db2.gz SMOARILDIJITCQ-WDEREUQCSA-N 0 0 323.422 0.719 10 0 DCAERN Cc1cc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2C)c(C)o1 ZINC000283781245 131021936 /nfs/dbraw/zinc/02/19/36/131021936.db2.gz KXSXHFOTBVTESI-NSHDSACASA-N 0 0 316.365 0.906 10 0 DCAERN Cn1cc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000284082907 131046790 /nfs/dbraw/zinc/04/67/90/131046790.db2.gz RFPNYBCJHCKZKM-ZIAGYGMSSA-N 0 0 307.398 0.077 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cs1 ZINC000284434325 131081098 /nfs/dbraw/zinc/08/10/98/131081098.db2.gz JKRCJEAWPGNTQV-VXGBXAGGSA-N 0 0 324.406 0.647 10 0 DCAERN Cc1cc2ncc(C(=O)N3C[C@@H](C)[C@H](C(N)=O)C3)c(C)n2n1 ZINC000284557952 131092331 /nfs/dbraw/zinc/09/23/31/131092331.db2.gz JBQKTLWCHNTJDV-PRHODGIISA-N 0 0 301.350 0.540 10 0 DCAERN Cn1ncc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000284620629 131097555 /nfs/dbraw/zinc/09/75/55/131097555.db2.gz JBFOLZGSYHOJFX-GFCCVEGCSA-N 0 0 317.324 0.485 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000284854346 131116487 /nfs/dbraw/zinc/11/64/87/131116487.db2.gz HUHCYMJFJYDNGT-UONOGXRCSA-N 0 0 318.377 0.722 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccncc2C(F)(F)F)C1 ZINC000285567342 131181562 /nfs/dbraw/zinc/18/15/62/131181562.db2.gz PPJGPUWETIRINB-GFCCVEGCSA-N 0 0 317.267 0.553 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCCO2)c1 ZINC000290737286 131514008 /nfs/dbraw/zinc/51/40/08/131514008.db2.gz OPWCCNCWCIXZGH-UHFFFAOYSA-N 0 0 312.347 0.331 10 0 DCAERN CO[C@H]1O[C@H](COC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000022063774 395691812 /nfs/dbraw/zinc/69/18/12/395691812.db2.gz DMXZHMAFWXQZAQ-FHUSYTEZSA-N 0 0 322.285 0.122 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1cccc(-n2cnnn2)c1 ZINC000002910793 395682084 /nfs/dbraw/zinc/68/20/84/395682084.db2.gz UHIUSBLQLVPFGM-UHFFFAOYSA-N 0 0 314.349 0.405 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC[C@H](C)O)cc1 ZINC000085978855 395702437 /nfs/dbraw/zinc/70/24/37/395702437.db2.gz CVUHILFNEQVEHN-JTQLQIEISA-N 0 0 301.364 0.451 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1Cc2ccccc2NC(=O)C1 ZINC000087887503 395706880 /nfs/dbraw/zinc/70/68/80/395706880.db2.gz RSBXKOBSMKIYEZ-LLVKDONJSA-N 0 0 308.359 0.402 10 0 DCAERN Cc1nn(C)c(CN2CCNC(=O)CC2)c1Br ZINC000089232725 395708762 /nfs/dbraw/zinc/70/87/62/395708762.db2.gz VRVFIJCHWHZXHO-UHFFFAOYSA-N 0 0 301.188 0.813 10 0 DCAERN C[C@@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@H]1O ZINC000089414256 395711300 /nfs/dbraw/zinc/71/13/00/395711300.db2.gz NCQSSHFYLKFTDC-CHWSQXEVSA-N 0 0 318.439 0.422 10 0 DCAERN O=C(CO)N1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000089548084 395712550 /nfs/dbraw/zinc/71/25/50/395712550.db2.gz JEGYZUYBRXMOOR-UHFFFAOYSA-N 0 0 317.139 0.319 10 0 DCAERN CNC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000027966839 395695539 /nfs/dbraw/zinc/69/55/39/395695539.db2.gz YFYOLAVWHKNHGC-LLVKDONJSA-N 0 0 303.428 0.421 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1 ZINC000091524105 395726022 /nfs/dbraw/zinc/72/60/22/395726022.db2.gz ALBPXXJGWONDGJ-UHFFFAOYSA-N 0 0 313.375 0.451 10 0 DCAERN O=C(C1=NNC(=O)CC1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000037841391 395729301 /nfs/dbraw/zinc/72/93/01/395729301.db2.gz UNKVNVZZTWHDJD-WDEREUQCSA-N 0 0 311.407 0.766 10 0 DCAERN CC1CCN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000042746967 395748289 /nfs/dbraw/zinc/74/82/89/395748289.db2.gz DKUMPISUGRSJJZ-NWDGAFQWSA-N 0 0 303.428 0.549 10 0 DCAERN C[C@H](CNC(=O)c1ccc([S@](C)=O)cc1)N1CCOCC1 ZINC000106272187 395782141 /nfs/dbraw/zinc/78/21/41/395782141.db2.gz DBXXLJJOAWAYPC-XUSGNXJCSA-N 0 0 310.419 0.875 10 0 DCAERN O=c1ccn2c(n1)O[C@@H]1[C@H]2O[C@H](COCc2ccccc2)[C@@H]1O ZINC000106381726 395783135 /nfs/dbraw/zinc/78/31/35/395783135.db2.gz SIIADAUAAHGNDX-UQOMUDLDSA-N 0 0 316.313 0.479 10 0 DCAERN CC(C)(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(N)=O ZINC000193948753 395784000 /nfs/dbraw/zinc/78/40/00/395784000.db2.gz MSMVRAXNVAPBDC-UHFFFAOYSA-N 0 0 316.361 0.545 10 0 DCAERN Cc1noc(COC2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000097942439 395761268 /nfs/dbraw/zinc/76/12/68/395761268.db2.gz OECMTHHXLMDTHG-UHFFFAOYSA-N 0 0 301.368 0.851 10 0 DCAERN Cc1noc(CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)n1 ZINC000101663413 395766150 /nfs/dbraw/zinc/76/61/50/395766150.db2.gz JVUJGWYUJJCPHY-UHFFFAOYSA-N 0 0 324.287 0.745 10 0 DCAERN CCCc1noc(CS(=O)(=O)CC(=O)NC(C)(C)C)n1 ZINC000046136480 395771033 /nfs/dbraw/zinc/77/10/33/395771033.db2.gz OXWKLWHSHMBHEP-UHFFFAOYSA-N 0 0 303.384 0.852 10 0 DCAERN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000046395152 395776383 /nfs/dbraw/zinc/77/63/83/395776383.db2.gz IORILUWPGHTCAG-UHFFFAOYSA-N 0 0 313.379 0.270 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000193763121 395778910 /nfs/dbraw/zinc/77/89/10/395778910.db2.gz KKLFUTWTEIYCKJ-UHFFFAOYSA-N 0 0 302.338 0.778 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(n2cncn2)CC1 ZINC000194712253 395804668 /nfs/dbraw/zinc/80/46/68/395804668.db2.gz NSIKVPFXWDLXNL-UHFFFAOYSA-N 0 0 316.365 0.675 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(C)s1 ZINC000194733595 395806063 /nfs/dbraw/zinc/80/60/63/395806063.db2.gz XNFDZHLXFXHHPS-NSHDSACASA-N 0 0 304.437 0.974 10 0 DCAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000048112204 395808952 /nfs/dbraw/zinc/80/89/52/395808952.db2.gz DYJREYKRMKFWCY-GWCFXTLKSA-N 0 0 301.346 0.853 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1cscn1 ZINC000111627594 395810691 /nfs/dbraw/zinc/81/06/91/395810691.db2.gz BJYLEIBEWUHXGS-UHFFFAOYSA-N 0 0 316.364 0.521 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CCOCC1 ZINC000194980261 395812883 /nfs/dbraw/zinc/81/28/83/395812883.db2.gz HGXCBARNNFWORT-AWEZNQCLSA-N 0 0 305.378 0.809 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)CNC(C)=O)CC1 ZINC000194960575 395813008 /nfs/dbraw/zinc/81/30/08/395813008.db2.gz JCTCJMTUSYWNKX-UHFFFAOYSA-N 0 0 305.378 0.916 10 0 DCAERN CCc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n[nH]1 ZINC000195107357 395815970 /nfs/dbraw/zinc/81/59/70/395815970.db2.gz NFXXMDHUKGZJER-UHFFFAOYSA-N 0 0 305.338 0.775 10 0 DCAERN Cc1c(C(=O)N[C@H]2CCc3ncnn3C2)cnn1-c1ccccn1 ZINC000112647147 395820054 /nfs/dbraw/zinc/82/00/54/395820054.db2.gz VJBGFKZVSVVEBP-LBPRGKRZSA-N 0 0 323.360 0.912 10 0 DCAERN O=C(CCNC(=O)c1ccsc1)N[C@H]1CCc2ncnn2C1 ZINC000112658779 395820688 /nfs/dbraw/zinc/82/06/88/395820688.db2.gz PMJXMULLMCRUAO-NSHDSACASA-N 0 0 319.390 0.591 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)Nc1ccccc1)C(N)=O ZINC000112907013 395825514 /nfs/dbraw/zinc/82/55/14/395825514.db2.gz SEJNFVFMYAIDAP-ZYHUDNBSSA-N 0 0 306.366 0.823 10 0 DCAERN Nc1nc(N)nc(CN2CC[C@H](CNc3ccccn3)C2)n1 ZINC000195515790 395831050 /nfs/dbraw/zinc/83/10/50/395831050.db2.gz XYCMATGQTPGGHV-SNVBAGLBSA-N 0 0 300.370 0.365 10 0 DCAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@H](C)C(C)C ZINC000195519664 395831659 /nfs/dbraw/zinc/83/16/59/395831659.db2.gz RZQJVDXGTVLFQG-LLVKDONJSA-N 0 0 301.412 0.979 10 0 DCAERN CCn1ccnc1CS(=O)(=O)CC(=O)N[C@@H](C)C(C)C ZINC000195519663 395831685 /nfs/dbraw/zinc/83/16/85/395831685.db2.gz RZQJVDXGTVLFQG-NSHDSACASA-N 0 0 301.412 0.979 10 0 DCAERN CN(C(=O)COc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000049890949 395834438 /nfs/dbraw/zinc/83/44/38/395834438.db2.gz FIASNRBZFIFHKN-LLVKDONJSA-N 0 0 301.339 0.850 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2=COCCO2)CC1 ZINC000115387736 395839564 /nfs/dbraw/zinc/83/95/64/395839564.db2.gz FWVIIVPFFPSLTP-UHFFFAOYSA-N 0 0 320.393 0.569 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116228899 395842097 /nfs/dbraw/zinc/84/20/97/395842097.db2.gz VSZHHLWPDDPFSC-AAEUAGOBSA-N 0 0 307.398 0.963 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CCC(=O)N3CCOCC3)C2)cn1 ZINC000116229284 395843153 /nfs/dbraw/zinc/84/31/53/395843153.db2.gz MDQLVDLYWQMOKC-CYBMUJFWSA-N 0 0 320.393 0.375 10 0 DCAERN CCCNC(=O)CN(C)C(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116319806 395843313 /nfs/dbraw/zinc/84/33/13/395843313.db2.gz MBINGLAVLZXDDG-ZDUSSCGKSA-N 0 0 321.425 0.194 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)C1 ZINC000118115923 395860566 /nfs/dbraw/zinc/86/05/66/395860566.db2.gz WJNYKYNIIWJPDZ-JTQLQIEISA-N 0 0 313.304 0.350 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000051118344 395845393 /nfs/dbraw/zinc/84/53/93/395845393.db2.gz XPIGNVCZCMMNLV-STQMWFEESA-N 0 0 309.410 0.176 10 0 DCAERN CCCc1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116831265 395847043 /nfs/dbraw/zinc/84/70/43/395847043.db2.gz LDPXNEWRCOHEAH-JTQLQIEISA-N 0 0 300.384 0.126 10 0 DCAERN CC(C)(C)n1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000116834980 395848001 /nfs/dbraw/zinc/84/80/01/395848001.db2.gz MEHPRKZYWPHIQQ-LLVKDONJSA-N 0 0 314.411 0.402 10 0 DCAERN CC(C)n1nccc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116929990 395849599 /nfs/dbraw/zinc/84/95/99/395849599.db2.gz GNHZXZOLBOHSMG-JTQLQIEISA-N 0 0 315.399 0.619 10 0 DCAERN NC(=O)CN1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000051502525 395851201 /nfs/dbraw/zinc/85/12/01/395851201.db2.gz IMFHUJRGYVTSNL-UHFFFAOYSA-N 0 0 312.320 0.006 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000117522786 395853238 /nfs/dbraw/zinc/85/32/38/395853238.db2.gz ZMHVPKLKQVFNHT-LBPRGKRZSA-N 0 0 323.368 0.943 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000117927692 395856328 /nfs/dbraw/zinc/85/63/28/395856328.db2.gz IAXPYVRWLHJDBJ-UHFFFAOYSA-N 0 0 323.374 0.941 10 0 DCAERN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000223801732 395856457 /nfs/dbraw/zinc/85/64/57/395856457.db2.gz SHNNERSQDALATM-NSHDSACASA-N 0 0 306.366 0.652 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)C1 ZINC000052000286 395857346 /nfs/dbraw/zinc/85/73/46/395857346.db2.gz LTANYRZMQDFDJW-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN CCc1cccc2c(CC(=O)N3CCO[C@@H](C(N)=O)C3)c[nH]c21 ZINC000109264980 395797206 /nfs/dbraw/zinc/79/72/06/395797206.db2.gz UNUGDHBTOWHYGX-CQSZACIVSA-N 0 0 315.373 0.986 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCC1(O)CCCC1 ZINC000234568028 395888626 /nfs/dbraw/zinc/88/86/26/395888626.db2.gz AFVMONAWQLDLBN-MNOVXSKESA-N 0 0 305.396 0.553 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1cscn1 ZINC000234620840 395889899 /nfs/dbraw/zinc/88/98/99/395889899.db2.gz YHGLFXZCWYRLNE-NXEZZACHSA-N 0 0 304.393 0.904 10 0 DCAERN C[C@H](CNC(=O)N[C@H](CO)Cc1ccccc1)N1CCOCC1 ZINC000123155742 395892279 /nfs/dbraw/zinc/89/22/79/395892279.db2.gz AWGYCJMVHJXXLP-ZBFHGGJFSA-N 0 0 321.421 0.610 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)C1)c1ccc2c(c1)OCCO2 ZINC000054071600 395893193 /nfs/dbraw/zinc/89/31/93/395893193.db2.gz WYTDQQGLICUAPX-SNVBAGLBSA-N 0 0 305.334 0.660 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000054281931 395896533 /nfs/dbraw/zinc/89/65/33/395896533.db2.gz PXBMJPACZVCWQP-LLVKDONJSA-N 0 0 318.377 0.877 10 0 DCAERN CCCCN(C)C(=O)C1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000236703330 395896779 /nfs/dbraw/zinc/89/67/79/395896779.db2.gz LMUQCFGAGRIEOB-AWEZNQCLSA-N 0 0 311.426 0.472 10 0 DCAERN Cn1nccc1CCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000123873210 395898343 /nfs/dbraw/zinc/89/83/43/395898343.db2.gz XOSAYELHRIVIRK-ZDUSSCGKSA-N 0 0 322.434 0.877 10 0 DCAERN CCN(C[C@H]1CCN(C(=O)[C@@H]2COCCN2)C1)CC(F)(F)F ZINC000236902667 395900136 /nfs/dbraw/zinc/90/01/36/395900136.db2.gz RZAQNYGVWGABPK-NEPJUHHUSA-N 0 0 323.359 0.708 10 0 DCAERN CCOC(=O)CN(CC(N)=O)C(=O)CCc1ccc(C)cc1 ZINC000125011347 395902118 /nfs/dbraw/zinc/90/21/18/395902118.db2.gz BJFGZWGBQSXNFY-UHFFFAOYSA-N 0 0 306.362 0.805 10 0 DCAERN Cc1ccc([C@H](CNC(=O)[C@H]2COCCN2)N2CCOCC2)o1 ZINC000237625365 395916897 /nfs/dbraw/zinc/91/68/97/395916897.db2.gz GUNLVEHHVWLPGA-KGLIPLIRSA-N 0 0 323.393 0.066 10 0 DCAERN CSCCCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000128449294 395918390 /nfs/dbraw/zinc/91/83/90/395918390.db2.gz OSFQAFAUCMDCAF-UHFFFAOYSA-N 0 0 301.456 0.798 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CN1CCCC1=O ZINC000055815686 395922203 /nfs/dbraw/zinc/92/22/03/395922203.db2.gz XUKVUFFDQJFWDH-OLZOCXBDSA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000056017308 395926133 /nfs/dbraw/zinc/92/61/33/395926133.db2.gz BTBJDKQBOVEZEW-MWLCHTKSSA-N 0 0 317.345 0.744 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CN1CCc2sccc2C1 ZINC000052432872 395863211 /nfs/dbraw/zinc/86/32/11/395863211.db2.gz CNHKAMGQWBIHSV-GFCCVEGCSA-N 0 0 307.419 0.843 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2oc(C3CC3)nc2C)CC1 ZINC000273524982 395927531 /nfs/dbraw/zinc/92/75/31/395927531.db2.gz BUKVYSDKFORKPG-UHFFFAOYSA-N 0 0 320.393 0.754 10 0 DCAERN O=C([C@H]1CCC(=O)N1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271429978 395865528 /nfs/dbraw/zinc/86/55/28/395865528.db2.gz OOIPGCNAUDERFA-ZWKOPEQDSA-N 0 0 310.300 0.878 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)O)cc1 ZINC000228064176 395870655 /nfs/dbraw/zinc/87/06/55/395870655.db2.gz OCTJOYVSFZGENT-GHMZBOCLSA-N 0 0 315.391 0.840 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000228595083 395871903 /nfs/dbraw/zinc/87/19/03/395871903.db2.gz SEPPROHJDPXOLX-YVECIDJPSA-N 0 0 306.428 0.481 10 0 DCAERN COC(=O)[C@](C)(NC(=O)Cn1c2ccccc2[nH]c1=O)C1CC1 ZINC000119834556 395876731 /nfs/dbraw/zinc/87/67/31/395876731.db2.gz RWGKDMJLTDDIQJ-MRXNPFEDSA-N 0 0 317.345 0.788 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1CN(C)CCO1 ZINC000119854231 395877301 /nfs/dbraw/zinc/87/73/01/395877301.db2.gz KTTXCUXSUVESHD-VIFPVBQESA-N 0 0 300.790 0.696 10 0 DCAERN O=C(CNC(=O)NCc1cn2c(n1)CCCC2)NCC1CC1 ZINC000272264106 395880324 /nfs/dbraw/zinc/88/03/24/395880324.db2.gz BOEKLWKRXSHGTI-UHFFFAOYSA-N 0 0 305.382 0.545 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CSc1nnnn1C1CC1 ZINC000053635823 395886855 /nfs/dbraw/zinc/88/68/55/395886855.db2.gz HOXOIHKODZFXOX-DTWKUNHWSA-N 0 0 324.410 0.213 10 0 DCAERN CCN1CN(CC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1=O ZINC000248833227 395998679 /nfs/dbraw/zinc/99/86/79/395998679.db2.gz ZJZUYTKQMFXDCF-KGLIPLIRSA-N 0 0 311.426 0.820 10 0 DCAERN CCn1cnc(S(=O)(=O)NC2CCC(C(=O)OC)CC2)c1 ZINC000134835948 395935580 /nfs/dbraw/zinc/93/55/80/395935580.db2.gz CZFRZMMVTGEJAR-UHFFFAOYSA-N 0 0 315.395 0.913 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)no1 ZINC000245759475 395935908 /nfs/dbraw/zinc/93/59/08/395935908.db2.gz FFAGIAMIJTUNNJ-MVWJERBFSA-N 0 0 305.334 0.995 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000245991890 395939133 /nfs/dbraw/zinc/93/91/33/395939133.db2.gz MDHWMEQFQNAXQI-RVMXOQNASA-N 0 0 321.377 0.501 10 0 DCAERN C[C@H](O)CN(C(=O)C[C@@H]1C(=O)Nc2ccccc21)[C@@H](C)CO ZINC000248885895 395999561 /nfs/dbraw/zinc/99/95/61/395999561.db2.gz DZFYJDKMXKOXEE-GVXVVHGQSA-N 0 0 306.362 0.703 10 0 DCAERN COC(=O)[C@@]1(C)CCN([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000246430540 395950060 /nfs/dbraw/zinc/95/00/60/395950060.db2.gz KHDNGHRJCIAMRD-LRDDRELGSA-N 0 0 320.393 0.719 10 0 DCAERN NC(=O)NC(=O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000137095638 395950268 /nfs/dbraw/zinc/95/02/68/395950268.db2.gz PRHKXYIMKSLMSX-DTWKUNHWSA-N 0 0 311.288 0.770 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000246877468 395960125 /nfs/dbraw/zinc/96/01/25/395960125.db2.gz LQZSOXYRVDVYQW-JLLWLGSASA-N 0 0 305.382 0.610 10 0 DCAERN CCOC(OCC)[C@](O)(CO)[C@@H](O)c1ccc(OC)cc1 ZINC000145296128 395963718 /nfs/dbraw/zinc/96/37/18/395963718.db2.gz JYZUPSTWTSBMNO-ZFWWWQNUSA-N 0 0 300.351 0.851 10 0 DCAERN Cn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000247067510 395966042 /nfs/dbraw/zinc/96/60/42/395966042.db2.gz VQGVLQYJRHXRDX-JHJVBQTASA-N 0 0 318.377 0.823 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1C ZINC000247117886 395966568 /nfs/dbraw/zinc/96/65/68/395966568.db2.gz NUQYHIQWYRYLOQ-UONOGXRCSA-N 0 0 320.455 0.538 10 0 DCAERN C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247186926 395969000 /nfs/dbraw/zinc/96/90/00/395969000.db2.gz SFMKLNMPYXOVNF-RKDXNWHRSA-N 0 0 318.424 0.094 10 0 DCAERN CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000247243768 395969822 /nfs/dbraw/zinc/96/98/22/395969822.db2.gz SPCWPQUGWBHZST-OLZOCXBDSA-N 0 0 322.409 0.760 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000247245084 395969882 /nfs/dbraw/zinc/96/98/82/395969882.db2.gz WYIKAPFKASWMLH-MJBXVCDLSA-N 0 0 304.346 0.511 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N2CCCSCC2)CC1 ZINC000061898528 395971523 /nfs/dbraw/zinc/97/15/23/395971523.db2.gz PPQBZKLILJESPQ-UHFFFAOYSA-N 0 0 306.453 0.624 10 0 DCAERN COc1ccc(CCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000150738847 395971921 /nfs/dbraw/zinc/97/19/21/395971921.db2.gz HRBYVPDKSCHFNY-UHFFFAOYSA-N 0 0 317.345 0.664 10 0 DCAERN CN1CC[C@H](Nc2cc(N3CCC[C@H](CO)C3)ncn2)C1=O ZINC000150925832 395975665 /nfs/dbraw/zinc/97/56/65/395975665.db2.gz DGTIERDOWDDCEO-RYUDHWBXSA-N 0 0 305.382 0.328 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000248990742 396001286 /nfs/dbraw/zinc/00/12/86/396001286.db2.gz XCZAJQFGMBLBTA-UBHSHLNASA-N 0 0 324.402 0.889 10 0 DCAERN Cc1cc(NC(=O)CN2CCC(C(=O)N(C)C)CC2)n(C)n1 ZINC000248014728 395981226 /nfs/dbraw/zinc/98/12/26/395981226.db2.gz QBVWRCTUEXIDDP-UHFFFAOYSA-N 0 0 307.398 0.467 10 0 DCAERN O=C(NCCOc1ncccc1C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000151353078 395984441 /nfs/dbraw/zinc/98/44/41/395984441.db2.gz RBRGRZUZYRKXAI-QMMMGPOBSA-N 0 0 317.267 0.732 10 0 DCAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)CNC(C)=O)C1 ZINC000151371924 395984649 /nfs/dbraw/zinc/98/46/49/395984649.db2.gz SJJFOMQWRIQWMO-GJZGRUSLSA-N 0 0 318.373 0.928 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000275523443 395985286 /nfs/dbraw/zinc/98/52/86/395985286.db2.gz CIKGBYSBEQSYRR-MELADBBJSA-N 0 0 319.409 0.870 10 0 DCAERN Cc1ccsc1C(=O)NCCn1c(=O)[nH]c2cncnc21 ZINC000065256896 395991116 /nfs/dbraw/zinc/99/11/16/395991116.db2.gz SXYULPCOEHXPST-UHFFFAOYSA-N 0 0 303.347 0.920 10 0 DCAERN C[C@H](O)C[C@H]1COCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000248661100 395993338 /nfs/dbraw/zinc/99/33/38/395993338.db2.gz ZYKCIUCOPHSHBH-AVGNSLFASA-N 0 0 306.428 0.435 10 0 DCAERN CCCCNC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000151806706 395993543 /nfs/dbraw/zinc/99/35/43/395993543.db2.gz NJXISJOLZJMRGZ-UHFFFAOYSA-N 0 0 303.370 0.756 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1C[C@H](C)O[C@H](CO)C1)c1ccccc1 ZINC000248790768 395997051 /nfs/dbraw/zinc/99/70/51/395997051.db2.gz SGQVZYHRIQIUIT-VBNZEHGJSA-N 0 0 320.389 0.862 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)nn1 ZINC000151988961 395997516 /nfs/dbraw/zinc/99/75/16/395997516.db2.gz BEPLDTKVUDYRGE-AWEZNQCLSA-N 0 0 321.425 0.917 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 ZINC000276703574 396022788 /nfs/dbraw/zinc/02/27/88/396022788.db2.gz PGUCVCDAOSOQKK-CHWSQXEVSA-N 0 0 306.366 0.622 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CCN(C)C(=O)C2)CC1 ZINC000153320500 396022937 /nfs/dbraw/zinc/02/29/37/396022937.db2.gz PCLFHENHMJMHSP-UHFFFAOYSA-N 0 0 310.398 0.117 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000252861290 396025046 /nfs/dbraw/zinc/02/50/46/396025046.db2.gz NKAGANMUJFECAC-YVECIDJPSA-N 0 0 303.424 0.962 10 0 DCAERN Cc1cc(CC(=O)N2CCCN(Cc3noc(C)n3)CC2)[nH]n1 ZINC000153941376 396027397 /nfs/dbraw/zinc/02/73/97/396027397.db2.gz MOGSNFWESURUBH-UHFFFAOYSA-N 0 0 318.381 0.687 10 0 DCAERN CC(=O)N[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1CO ZINC000253413717 396027703 /nfs/dbraw/zinc/02/77/03/396027703.db2.gz VNMFSZLTPSUDRF-DZGCQCFKSA-N 0 0 302.374 0.674 10 0 DCAERN COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@@H](O)C[C@@H]1CO ZINC000253579771 396031367 /nfs/dbraw/zinc/03/13/67/396031367.db2.gz AFARDZKXYYYARV-XQQFMLRXSA-N 0 0 308.378 0.758 10 0 DCAERN CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(C(N)=O)cc1 ZINC000254715569 396032177 /nfs/dbraw/zinc/03/21/77/396032177.db2.gz JAJYLMUEKZUTOJ-UHFFFAOYSA-N 0 0 304.335 0.015 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]c3)C2)cn1 ZINC000154174359 396033605 /nfs/dbraw/zinc/03/36/05/396033605.db2.gz LGCPYFMJRIHMQZ-GFCCVEGCSA-N 0 0 301.350 0.920 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)C3=NN(C)C(=O)CC3)C2)cn1 ZINC000154216037 396034298 /nfs/dbraw/zinc/03/42/98/396034298.db2.gz JRBPKWAHDCIBNR-NSHDSACASA-N 0 0 318.381 0.113 10 0 DCAERN CN1CCCc2cc(NC(=O)C[C@@H]3NC(=O)NC3=O)ccc21 ZINC000154687735 396041574 /nfs/dbraw/zinc/04/15/74/396041574.db2.gz GIFQBDSCBHHHGP-NSHDSACASA-N 0 0 302.334 0.606 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000154994261 396044966 /nfs/dbraw/zinc/04/49/66/396044966.db2.gz NGVLTPBLBSGDBT-MRVPVSSYSA-N 0 0 318.420 0.606 10 0 DCAERN COc1cccc(C(=O)NCCNC(=O)C[C@@H](O)C(C)C)c1 ZINC000154985400 396045633 /nfs/dbraw/zinc/04/56/33/396045633.db2.gz BYUADCNYADOBNN-CQSZACIVSA-N 0 0 308.378 0.948 10 0 DCAERN Cc1csc(N2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n1 ZINC000155028088 396045859 /nfs/dbraw/zinc/04/58/59/396045859.db2.gz SDUXLRZJSRVPLI-SECBINFHSA-N 0 0 312.420 0.925 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000155511221 396053069 /nfs/dbraw/zinc/05/30/69/396053069.db2.gz PMVWQSOZBSGGTN-LLVKDONJSA-N 0 0 324.402 0.947 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000277315998 396061689 /nfs/dbraw/zinc/06/16/89/396061689.db2.gz BUSWCNQCUGHAFC-IXDOHACOSA-N 0 0 316.401 0.984 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H](C)O1 ZINC000158016533 396064212 /nfs/dbraw/zinc/06/42/12/396064212.db2.gz IFKCJIQIWUJEPO-SKDRFNHKSA-N 0 0 307.350 0.691 10 0 DCAERN CCOc1ccc(CCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000152202968 396002744 /nfs/dbraw/zinc/00/27/44/396002744.db2.gz CXEBNJMGXQOVOD-ZDUSSCGKSA-N 0 0 304.346 0.939 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CSCC(N)=O ZINC000152233149 396003795 /nfs/dbraw/zinc/00/37/95/396003795.db2.gz RXYBBSYTDYANSV-VIFPVBQESA-N 0 0 311.411 0.571 10 0 DCAERN O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)N1CCOCC1 ZINC000152289690 396005623 /nfs/dbraw/zinc/00/56/23/396005623.db2.gz MTUIYRXXFAABMR-OAHLLOKOSA-N 0 0 305.378 0.784 10 0 DCAERN CC(C)[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)c1cccnc1 ZINC000152451054 396009814 /nfs/dbraw/zinc/00/98/14/396009814.db2.gz KRDQNSAIQMPHSP-NEPJUHHUSA-N 0 0 304.350 0.536 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000249630959 396010895 /nfs/dbraw/zinc/01/08/95/396010895.db2.gz VFLXONNBYYGFIQ-STQMWFEESA-N 0 0 320.455 0.536 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H]2CCc3nccn3C2)CCC1=O ZINC000276571447 396010932 /nfs/dbraw/zinc/01/09/32/396010932.db2.gz GWYWYMAOKLEXEW-VXGBXAGGSA-N 0 0 305.382 0.366 10 0 DCAERN CCN1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000249697500 396011449 /nfs/dbraw/zinc/01/14/49/396011449.db2.gz UUVSQFJZDTWUJY-CQSZACIVSA-N 0 0 303.410 0.857 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000250110597 396013717 /nfs/dbraw/zinc/01/37/17/396013717.db2.gz STXNYGUVRBREQF-OLZOCXBDSA-N 0 0 322.453 0.741 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000252321836 396019202 /nfs/dbraw/zinc/01/92/02/396019202.db2.gz ZDCOTWWOZNSYJE-ZBFHGGJFSA-N 0 0 305.422 0.954 10 0 DCAERN CN(C)c1nccc([C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000276666255 396019796 /nfs/dbraw/zinc/01/97/96/396019796.db2.gz MXBOLBWMVXGTJF-ZIAGYGMSSA-N 0 0 319.409 0.537 10 0 DCAERN CN(C)C(=O)c1cccnc1O[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000169756041 396091235 /nfs/dbraw/zinc/09/12/35/396091235.db2.gz FCFHIXNHWJWDJJ-SNVBAGLBSA-N 0 0 313.379 0.196 10 0 DCAERN Cc1nnc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@@H](C)C2)o1 ZINC000277879233 396092454 /nfs/dbraw/zinc/09/24/54/396092454.db2.gz DPWOYVYEUHXDRV-PWSUYJOCSA-N 0 0 322.365 0.536 10 0 DCAERN CC[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)OC ZINC000175750909 396141406 /nfs/dbraw/zinc/14/14/06/396141406.db2.gz QRICOKSMYITKAF-CMPLNLGQSA-N 0 0 308.334 0.696 10 0 DCAERN CC[C@@H](O)CN(CC(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000170716547 396096663 /nfs/dbraw/zinc/09/66/63/396096663.db2.gz VERLHCKLEOFUCO-CQSZACIVSA-N 0 0 305.378 0.222 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCO[C@@H](C)C2)cc1 ZINC000070302952 396100585 /nfs/dbraw/zinc/10/05/85/396100585.db2.gz PEYCDOJWNJWDDO-NSHDSACASA-N 0 0 313.375 0.812 10 0 DCAERN CCc1nnc(CN2C(=O)c3ccccc3CS2(=O)=O)n1C ZINC000171020349 396103994 /nfs/dbraw/zinc/10/39/94/396103994.db2.gz IWEBZJPMIPBUNO-UHFFFAOYSA-N 0 0 320.374 0.863 10 0 DCAERN Cc1noc(CCNC(=O)NCCc2cccc(C(N)=O)c2)n1 ZINC000171073703 396105655 /nfs/dbraw/zinc/10/56/55/396105655.db2.gz WGQXIBSDNSOXCE-UHFFFAOYSA-N 0 0 317.349 0.561 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000171063421 396105812 /nfs/dbraw/zinc/10/58/12/396105812.db2.gz OBCHGIQDZZGWAQ-OCCSQVGLSA-N 0 0 313.357 0.583 10 0 DCAERN C[C@@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@H]1CCCO1 ZINC000171183567 396110222 /nfs/dbraw/zinc/11/02/22/396110222.db2.gz PTTZXRZISTYFRM-CHWSQXEVSA-N 0 0 305.382 0.876 10 0 DCAERN NCc1nc(CN2CCN(c3nc4ccccc4o3)CC2)no1 ZINC000262232480 396113804 /nfs/dbraw/zinc/11/38/04/396113804.db2.gz OCJMDBSZQYSGQR-UHFFFAOYSA-N 0 0 314.349 0.992 10 0 DCAERN NCc1nc(CN2CCC[C@H]2C(=O)Nc2nccs2)no1 ZINC000262293555 396118903 /nfs/dbraw/zinc/11/89/03/396118903.db2.gz WIUWHIDPFAXUHY-QMMMGPOBSA-N 0 0 308.367 0.588 10 0 DCAERN Cc1ncc(CN2CCN(Cc3noc(CN)n3)CC2)s1 ZINC000262290004 396119083 /nfs/dbraw/zinc/11/90/83/396119083.db2.gz VYPIXDILTCHCAX-UHFFFAOYSA-N 0 0 308.411 0.611 10 0 DCAERN COC(C)(C)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000171590502 396119462 /nfs/dbraw/zinc/11/94/62/396119462.db2.gz IENYYYISNSSHFY-UHFFFAOYSA-N 0 0 321.425 0.530 10 0 DCAERN CCOc1ccnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1 ZINC000171594706 396119796 /nfs/dbraw/zinc/11/97/96/396119796.db2.gz PMFQKWQVEVXWMR-ZDUSSCGKSA-N 0 0 321.425 0.912 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCCS(C)(=O)=O ZINC000171768323 396124209 /nfs/dbraw/zinc/12/42/09/396124209.db2.gz XCSGWFKEFIAMRB-LBPRGKRZSA-N 0 0 318.439 0.671 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3COCCO3)CCO2)n1 ZINC000171859448 396126982 /nfs/dbraw/zinc/12/69/82/396126982.db2.gz HMMOGVWFEJUEIH-KGLIPLIRSA-N 0 0 309.366 0.143 10 0 DCAERN CNC(=O)CNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171947191 396127884 /nfs/dbraw/zinc/12/78/84/396127884.db2.gz SHOSPDPUWYGMTD-UHFFFAOYSA-N 0 0 311.139 0.801 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H]1C ZINC000172261936 396129801 /nfs/dbraw/zinc/12/98/01/396129801.db2.gz AVIYMDYBMCAQON-UONOGXRCSA-N 0 0 320.455 0.395 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261942404 396081875 /nfs/dbraw/zinc/08/18/75/396081875.db2.gz KPKCCPCPXDAHIM-ZIAGYGMSSA-N 0 0 320.418 0.476 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccn(C)n3)CCO2)o1 ZINC000162792003 396084187 /nfs/dbraw/zinc/08/41/87/396084187.db2.gz KSRAMPUNDLOQIB-LBPRGKRZSA-N 0 0 318.333 0.860 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2ccon2)CC1 ZINC000263237882 396208372 /nfs/dbraw/zinc/20/83/72/396208372.db2.gz OGWFWABFVONWLP-NSHDSACASA-N 0 0 300.309 0.316 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCC(=O)N(C)C ZINC000073742580 396149973 /nfs/dbraw/zinc/14/99/73/396149973.db2.gz AZZAVMXNFKLXPH-JTQLQIEISA-N 0 0 309.414 0.745 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)NC[C@]1(O)CCSC1 ZINC000176295160 396153827 /nfs/dbraw/zinc/15/38/27/396153827.db2.gz RSEVQPUATKCVLY-CQSZACIVSA-N 0 0 314.382 0.985 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)c1 ZINC000279218662 396158559 /nfs/dbraw/zinc/15/85/59/396158559.db2.gz XBAZCKPATGWSLW-XEZPLFJOSA-N 0 0 308.378 0.544 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1Cl ZINC000176746865 396159868 /nfs/dbraw/zinc/15/98/68/396159868.db2.gz MKQXMPSFRWEYBL-SSDOTTSWSA-N 0 0 316.774 0.478 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000176932184 396163882 /nfs/dbraw/zinc/16/38/82/396163882.db2.gz HNXFKOYMMSSUOO-SSDOTTSWSA-N 0 0 324.449 0.568 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(C)nn(C)c1C ZINC000177006705 396164193 /nfs/dbraw/zinc/16/41/93/396164193.db2.gz MCAHATODFBBEIQ-NSHDSACASA-N 0 0 324.410 0.750 10 0 DCAERN COC[C@@H](C)S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000074366215 396165766 /nfs/dbraw/zinc/16/57/66/396165766.db2.gz YPTZHDDNJFFFCX-LLVKDONJSA-N 0 0 300.380 0.371 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)CC1 ZINC000177151718 396168512 /nfs/dbraw/zinc/16/85/12/396168512.db2.gz JBBQLFBKGTYVKR-LBPRGKRZSA-N 0 0 303.366 0.791 10 0 DCAERN Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074543990 396168713 /nfs/dbraw/zinc/16/87/13/396168713.db2.gz YZBRISACKCDJSN-ZYHUDNBSSA-N 0 0 301.306 0.931 10 0 DCAERN C[C@H]1CCCCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000074661970 396169844 /nfs/dbraw/zinc/16/98/44/396169844.db2.gz PCFRJOVPMDICBZ-NSHDSACASA-N 0 0 303.366 0.921 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000177385140 396173180 /nfs/dbraw/zinc/17/31/80/396173180.db2.gz IBCMICQIGCQCGJ-IJLUTSLNSA-N 0 0 310.350 0.708 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000177606919 396179604 /nfs/dbraw/zinc/17/96/04/396179604.db2.gz FSEGKTNWRAQVBR-UONOGXRCSA-N 0 0 319.405 0.847 10 0 DCAERN CCc1cccc(NC(=O)C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000177635854 396180511 /nfs/dbraw/zinc/18/05/11/396180511.db2.gz ZFZYOVFBVGSMBM-ZDUSSCGKSA-N 0 0 313.361 0.910 10 0 DCAERN O=C(NCc1ccc(F)cc1)c1noc(Cn2cncn2)n1 ZINC000075609944 396183230 /nfs/dbraw/zinc/18/32/30/396183230.db2.gz OAMXVNMLKSDDSX-UHFFFAOYSA-N 0 0 302.269 0.779 10 0 DCAERN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@H]1C ZINC000076000706 396191099 /nfs/dbraw/zinc/19/10/99/396191099.db2.gz QUJCZFJNFAIPQW-AMIZOPFISA-N 0 0 315.377 0.902 10 0 DCAERN C[C@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000178310320 396194054 /nfs/dbraw/zinc/19/40/54/396194054.db2.gz MXCJDQSSRPTTLC-STQMWFEESA-N 0 0 307.398 0.858 10 0 DCAERN O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CC(F)(F)CN1 ZINC000262958650 396194903 /nfs/dbraw/zinc/19/49/03/396194903.db2.gz KKZSLYCLNFIEMA-LBPRGKRZSA-N 0 0 307.304 0.881 10 0 DCAERN C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)c1nnc2n1CCCC2 ZINC000178373587 396195034 /nfs/dbraw/zinc/19/50/34/396195034.db2.gz SYVUPVZIICCXJL-QWRGUYRKSA-N 0 0 314.411 0.774 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)CCc2ccccc2O)CC1 ZINC000076171468 396197391 /nfs/dbraw/zinc/19/73/91/396197391.db2.gz FLMXRSKIDCIVBA-UHFFFAOYSA-N 0 0 319.405 0.605 10 0 DCAERN O=C(CNC(=O)[C@H]1CC(F)(F)CN1)Nc1cccc(F)c1 ZINC000263106967 396201329 /nfs/dbraw/zinc/20/13/29/396201329.db2.gz ZZHKBGVTEKNVMG-SNVBAGLBSA-N 0 0 301.268 0.878 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CC(F)(F)CN1)CC2 ZINC000263146714 396203038 /nfs/dbraw/zinc/20/30/38/396203038.db2.gz CVBXUCKEQOUHNX-IJLUTSLNSA-N 0 0 318.364 0.762 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)CCNS(C)(=O)=O ZINC000180771024 396234400 /nfs/dbraw/zinc/23/44/00/396234400.db2.gz XUGSUCIAUQBWJG-UHFFFAOYSA-N 0 0 316.427 0.025 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCCc2nc(C)no2)c(C)c1 ZINC000077834476 396235022 /nfs/dbraw/zinc/23/50/22/396235022.db2.gz FJKQNRUHDUJVSR-UHFFFAOYSA-N 0 0 318.333 0.992 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2cccnc2)cn1C ZINC000180907717 396235258 /nfs/dbraw/zinc/23/52/58/396235258.db2.gz WYYYKIJDKAUVRD-UHFFFAOYSA-N 0 0 322.390 0.947 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n(C)n1 ZINC000077939502 396237391 /nfs/dbraw/zinc/23/73/91/396237391.db2.gz HNWUAHKAPVWHOX-ZYHUDNBSSA-N 0 0 308.382 0.588 10 0 DCAERN CCCCN(CCCO)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000181523783 396239393 /nfs/dbraw/zinc/23/93/93/396239393.db2.gz LNZGLCZSRWUDBJ-BETUJISGSA-N 0 0 308.444 0.825 10 0 DCAERN Cc1nn(C)c(C)c1CCCNS(=O)(=O)C[C@@H]1CCOC1 ZINC000181501804 396239713 /nfs/dbraw/zinc/23/97/13/396239713.db2.gz FPUULCXCOFTOGI-CYBMUJFWSA-N 0 0 315.439 0.925 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NCCCn2ccnn2)c1 ZINC000181785940 396241875 /nfs/dbraw/zinc/24/18/75/396241875.db2.gz KSOZGWROEMVFIW-UHFFFAOYSA-N 0 0 305.313 0.871 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)NCCCn1ccnn1)CC2 ZINC000181783987 396242236 /nfs/dbraw/zinc/24/22/36/396242236.db2.gz ASHJWUSLSRHESC-UHFFFAOYSA-N 0 0 313.361 0.682 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000181777389 396242339 /nfs/dbraw/zinc/24/23/39/396242339.db2.gz KKJXIWVBFUWVSB-UHFFFAOYSA-N 0 0 313.361 0.912 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC1 ZINC000181836504 396243365 /nfs/dbraw/zinc/24/33/65/396243365.db2.gz ICZGQCYLBBFLJL-ZIAGYGMSSA-N 0 0 315.458 0.882 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC000182219306 396247897 /nfs/dbraw/zinc/24/78/97/396247897.db2.gz TZJGHDBJUUOOPS-JTQLQIEISA-N 0 0 315.439 0.766 10 0 DCAERN CNC(=O)CCN(C)C(=O)c1cnc2c(cnn2C)c1OC ZINC000182381450 396249713 /nfs/dbraw/zinc/24/97/13/396249713.db2.gz QXDJCASYLOQUKM-UHFFFAOYSA-N 0 0 305.338 0.185 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCCCn3ccnn3)c2=O)s1 ZINC000182727791 396253507 /nfs/dbraw/zinc/25/35/07/396253507.db2.gz VANROSDYDDXMSD-UHFFFAOYSA-N 0 0 318.362 0.476 10 0 DCAERN CCS(=O)(=O)c1ccccc1C(=O)NCCCn1ccnn1 ZINC000182904130 396256649 /nfs/dbraw/zinc/25/66/49/396256649.db2.gz DOOPHAOJFHVJFQ-UHFFFAOYSA-N 0 0 322.390 0.892 10 0 DCAERN CCS(=O)(=O)c1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000183006627 396258210 /nfs/dbraw/zinc/25/82/10/396258210.db2.gz WEESOMBYIZXTAY-UHFFFAOYSA-N 0 0 322.390 0.892 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCCCn3ccnn3)s2)cn1 ZINC000183002386 396258211 /nfs/dbraw/zinc/25/82/11/396258211.db2.gz KAGFTVMDEXVAFM-UHFFFAOYSA-N 0 0 317.378 0.955 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(CC(F)F)CC1 ZINC000079053244 396260891 /nfs/dbraw/zinc/26/08/91/396260891.db2.gz PPJNGDWFVHPNSG-SNVBAGLBSA-N 0 0 316.352 0.342 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)COc2ccc(C)cc2)CCO1 ZINC000184057639 396282927 /nfs/dbraw/zinc/28/29/27/396282927.db2.gz JHFSMWQCFVKIJO-HIFRSBDPSA-N 0 0 308.378 0.182 10 0 DCAERN COC(=O)c1coc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000183659253 396272488 /nfs/dbraw/zinc/27/24/88/396272488.db2.gz LLQFOQVXQNNIRS-GFCCVEGCSA-N 0 0 308.334 0.659 10 0 DCAERN Cc1ccc(NC(=O)NCCCn2ccnn2)cc1C(N)=O ZINC000183624893 396272694 /nfs/dbraw/zinc/27/26/94/396272694.db2.gz ATVGHJWLTCFCNS-UHFFFAOYSA-N 0 0 302.338 0.897 10 0 DCAERN COC(=O)CCNC(=O)CN1CCCN(c2ccccn2)CC1 ZINC000183826607 396275810 /nfs/dbraw/zinc/27/58/10/396275810.db2.gz XZUBJPCRWLAOLJ-UHFFFAOYSA-N 0 0 320.393 0.273 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCCOC3)CC2)ncn1 ZINC000183815275 396276152 /nfs/dbraw/zinc/27/61/52/396276152.db2.gz SIWPSNNZVFOXDF-GFCCVEGCSA-N 0 0 306.366 0.560 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1=O ZINC000183889934 396276614 /nfs/dbraw/zinc/27/66/14/396276614.db2.gz YAZRJNPUHCWUCS-GFCCVEGCSA-N 0 0 315.333 0.861 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CSc1nc(C)cc(C)n1 ZINC000077206060 396214636 /nfs/dbraw/zinc/21/46/36/396214636.db2.gz PPFZMQKPSARCNU-LLVKDONJSA-N 0 0 308.407 0.923 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)CC(C)(C)OC)C1 ZINC000263487277 396219116 /nfs/dbraw/zinc/21/91/16/396219116.db2.gz NEMQVPXWZXXPOS-UHFFFAOYSA-N 0 0 322.427 0.268 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2c(F)ccc(O)c2F)C1 ZINC000280764639 396219909 /nfs/dbraw/zinc/21/99/09/396219909.db2.gz LVAPSZKTEXEVMF-ZETCQYMHSA-N 0 0 320.317 0.434 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccc(F)c(Cl)c1 ZINC000179184995 396223880 /nfs/dbraw/zinc/22/38/80/396223880.db2.gz GKWANHCXOAJQNP-NXEZZACHSA-N 0 0 302.733 0.845 10 0 DCAERN CN(C(=O)CN1C[C@H](O)C[C@@H]1CO)[C@H]1CCCc2ccccc21 ZINC000179182081 396224330 /nfs/dbraw/zinc/22/43/30/396224330.db2.gz IHIDIZGBQKQCDB-INMHGKMJSA-N 0 0 318.417 0.950 10 0 DCAERN COCC(=O)N(C)CC(=O)NCCCc1nc(C(C)C)no1 ZINC000179213964 396224781 /nfs/dbraw/zinc/22/47/81/396224781.db2.gz NLRNEQZTVNDNAI-UHFFFAOYSA-N 0 0 312.370 0.347 10 0 DCAERN C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000179500069 396227417 /nfs/dbraw/zinc/22/74/17/396227417.db2.gz GRQZZOBBCVRYBR-GWCFXTLKSA-N 0 0 312.391 0.710 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000077771938 396232545 /nfs/dbraw/zinc/23/25/45/396232545.db2.gz PJBKZKPYBGGPBY-OLZOCXBDSA-N 0 0 322.409 0.734 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCC(F)(F)CO)CC2 ZINC000184933252 396311851 /nfs/dbraw/zinc/31/18/51/396311851.db2.gz QYVKUAFUVAXJKA-QMMMGPOBSA-N 0 0 303.313 0.082 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000185001171 396313093 /nfs/dbraw/zinc/31/30/93/396313093.db2.gz RWMDTJNCUXVRGQ-DGCLKSJQSA-N 0 0 303.428 0.168 10 0 DCAERN COCCN(Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)C(N)=O ZINC000185000463 396313492 /nfs/dbraw/zinc/31/34/92/396313492.db2.gz UKIPUQTXKKIDID-JTQLQIEISA-N 0 0 307.354 0.397 10 0 DCAERN Cc1cnc([C@@H](C)NCC(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000185008484 396314104 /nfs/dbraw/zinc/31/41/04/396314104.db2.gz KXXILQQOECENCN-GHMZBOCLSA-N 0 0 310.423 0.826 10 0 DCAERN C[C@H](CC(=O)NCCCn1ccnn1)NC(=O)c1ccccc1 ZINC000185079515 396316841 /nfs/dbraw/zinc/31/68/41/396316841.db2.gz MRKTXTSBVMZIQF-CYBMUJFWSA-N 0 0 315.377 0.993 10 0 DCAERN CCCNC(=O)[C@@H](C)N1CCN(c2cc(OC)ncn2)CC1 ZINC000184071877 396283836 /nfs/dbraw/zinc/28/38/36/396283836.db2.gz BDUCBRRBYNMKHQ-GFCCVEGCSA-N 0 0 307.398 0.522 10 0 DCAERN O=C(CN1CCCC1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184104671 396285429 /nfs/dbraw/zinc/28/54/29/396285429.db2.gz JLJAYVUQKMINQL-UHFFFAOYSA-N 0 0 307.375 0.546 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000184256898 396289382 /nfs/dbraw/zinc/28/93/82/396289382.db2.gz SFTJGPUKCMKYRD-NSHDSACASA-N 0 0 304.302 0.914 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2nc3ccccn3n2)C1 ZINC000184418452 396294092 /nfs/dbraw/zinc/29/40/92/396294092.db2.gz IYRZLMVLRCATMC-NXEZZACHSA-N 0 0 302.338 0.895 10 0 DCAERN COCCCCS(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000184480357 396297195 /nfs/dbraw/zinc/29/71/95/396297195.db2.gz OSUHBACWNVSLBS-STQMWFEESA-N 0 0 308.444 0.442 10 0 DCAERN CCc1nnc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)[nH]1 ZINC000185163009 396320152 /nfs/dbraw/zinc/32/01/52/396320152.db2.gz VSAQPZWPMVSXKJ-LBPRGKRZSA-N 0 0 307.398 0.438 10 0 DCAERN O=C1NC[C@@H]2CN(CCC(Cl)(Cl)Cl)CCN2C1=O ZINC000184622706 396300466 /nfs/dbraw/zinc/30/04/66/396300466.db2.gz FPFZPIDDMOTOCF-SSDOTTSWSA-N 0 0 314.600 0.389 10 0 DCAERN O[C@H](COc1cccc(-n2ccnn2)c1)CN1CCOCC1 ZINC000184755018 396304676 /nfs/dbraw/zinc/30/46/76/396304676.db2.gz ADAHCERJNIZNFK-AWEZNQCLSA-N 0 0 304.350 0.339 10 0 DCAERN C[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1N1CCOCC1 ZINC000184829582 396307731 /nfs/dbraw/zinc/30/77/31/396307731.db2.gz DXMLXQZKDGHKAI-HIFRSBDPSA-N 0 0 321.425 0.697 10 0 DCAERN Cc1csc(C2(NC(=O)CN3C(=O)CN(C)C3=O)CCC2)n1 ZINC000265331138 396307841 /nfs/dbraw/zinc/30/78/41/396307841.db2.gz SONQCUAWBQKQGN-UHFFFAOYSA-N 0 0 322.390 0.841 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(OC(F)F)n(C)n2)C1 ZINC000185198541 396321174 /nfs/dbraw/zinc/32/11/74/396321174.db2.gz OIYXCOUSNOILOP-VIFPVBQESA-N 0 0 316.308 0.762 10 0 DCAERN CCN(CC)C(=O)CN(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000184910368 396310975 /nfs/dbraw/zinc/31/09/75/396310975.db2.gz SCMJNXGUMXUJKQ-UHFFFAOYSA-N 0 0 303.366 0.909 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3nnc(C)s3)CCO2)c1 ZINC000185433916 396327461 /nfs/dbraw/zinc/32/74/61/396327461.db2.gz RZTDSORVJXKJHA-LLVKDONJSA-N 0 0 307.379 0.893 10 0 DCAERN Cc1nnc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000185326845 396325051 /nfs/dbraw/zinc/32/50/51/396325051.db2.gz OSOCWUYUNFJRDH-UHFFFAOYSA-N 0 0 312.376 0.424 10 0 DCAERN CC[C@H](CO)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000185494660 396328976 /nfs/dbraw/zinc/32/89/76/396328976.db2.gz KVFPWBLYQDYZKS-SNVBAGLBSA-N 0 0 309.370 0.609 10 0 DCAERN CCOc1cccc(N2CCN(C(=O)CC(=O)NC)CC2)n1 ZINC000185544741 396330002 /nfs/dbraw/zinc/33/00/02/396330002.db2.gz YYBGWCURAUDVOA-UHFFFAOYSA-N 0 0 306.366 0.265 10 0 DCAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CC(=O)NC ZINC000185569311 396330641 /nfs/dbraw/zinc/33/06/41/396330641.db2.gz BSIUUWRJHLNNFL-CYBMUJFWSA-N 0 0 306.362 0.755 10 0 DCAERN O=C(Nc1ccccc1F)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000185553361 396330724 /nfs/dbraw/zinc/33/07/24/396330724.db2.gz WCAPQWGFDPGXGY-OAHLLOKOSA-N 0 0 308.309 0.782 10 0 DCAERN C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000265678536 396336266 /nfs/dbraw/zinc/33/62/66/396336266.db2.gz JAFWTLOSURHULZ-NSHDSACASA-N 0 0 309.387 0.810 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000185959347 396337571 /nfs/dbraw/zinc/33/75/71/396337571.db2.gz FECWRUMBTSZNAW-BXKDBHETSA-N 0 0 307.316 0.880 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000185987118 396338255 /nfs/dbraw/zinc/33/82/55/396338255.db2.gz TVPKRAFPXKHIMR-GFCCVEGCSA-N 0 0 307.379 0.886 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCO[C@]4(CCOC4)C3)ccc21 ZINC000186054383 396339814 /nfs/dbraw/zinc/33/98/14/396339814.db2.gz RTFOMRLFZBYWAT-OAHLLOKOSA-N 0 0 302.334 0.600 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CCO[C@]2(CCOC2)C1 ZINC000186058399 396340050 /nfs/dbraw/zinc/34/00/50/396340050.db2.gz LIUIFTOQGFIYAZ-MRXNPFEDSA-N 0 0 310.394 0.797 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000186327570 396347945 /nfs/dbraw/zinc/34/79/45/396347945.db2.gz NKUVVBBNOFGQEF-GFCCVEGCSA-N 0 0 321.406 0.961 10 0 DCAERN CNC(=O)CC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000186239750 396346372 /nfs/dbraw/zinc/34/63/72/396346372.db2.gz OOHUFXXHLATNFN-UHFFFAOYSA-N 0 0 320.389 0.996 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000186099107 396341415 /nfs/dbraw/zinc/34/14/15/396341415.db2.gz FTVFMZKLJLZPBE-CYBMUJFWSA-N 0 0 313.423 0.346 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H](CCO)c1ccco1 ZINC000187790069 396374292 /nfs/dbraw/zinc/37/42/92/396374292.db2.gz QKMHEQWFBBSVEJ-LLVKDONJSA-N 0 0 303.318 0.644 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NC3CCOCC3)CC2)n[nH]1 ZINC000187261412 396365645 /nfs/dbraw/zinc/36/56/45/396365645.db2.gz JHORRUUCLGZNRK-UHFFFAOYSA-N 0 0 307.398 0.135 10 0 DCAERN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@@H]1CCNC(=O)C1 ZINC000187305447 396367186 /nfs/dbraw/zinc/36/71/86/396367186.db2.gz HPTCLDMRWOXXBO-RFSCMCKOSA-N 0 0 317.389 0.854 10 0 DCAERN COCC(=O)NC1CN(S(=O)(=O)Cc2cccc(C)c2)C1 ZINC000187715364 396372910 /nfs/dbraw/zinc/37/29/10/396372910.db2.gz LYVWGOHBTJMJDK-UHFFFAOYSA-N 0 0 312.391 0.272 10 0 DCAERN C[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)C(=O)N(C)C ZINC000186362851 396348860 /nfs/dbraw/zinc/34/88/60/396348860.db2.gz DHLBSKQDOQHBNY-ZDUSSCGKSA-N 0 0 319.409 0.780 10 0 DCAERN C[C@@H](C(=O)N1CCCN(c2ccccn2)CC1)S(C)(=O)=O ZINC000186394881 396349145 /nfs/dbraw/zinc/34/91/45/396349145.db2.gz KVBDDCFRDAPYCI-LBPRGKRZSA-N 0 0 311.407 0.553 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000285702731 396351875 /nfs/dbraw/zinc/35/18/75/396351875.db2.gz XARPOCJGJRVCJZ-CYBMUJFWSA-N 0 0 300.717 0.932 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000188585293 396383777 /nfs/dbraw/zinc/38/37/77/396383777.db2.gz ZOXNTLKSASTIRC-NSHDSACASA-N 0 0 313.361 0.923 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@@]3(C)CCCO3)C[C@@H]2C(N)=O)cn1 ZINC000286294650 396386376 /nfs/dbraw/zinc/38/63/76/396386376.db2.gz HSJXAZUVHYDZGH-TYNCELHUSA-N 0 0 306.366 0.017 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCN1CCO ZINC000188784606 396386696 /nfs/dbraw/zinc/38/66/96/396386696.db2.gz YKBKLDODBRYBRZ-LLVKDONJSA-N 0 0 310.419 0.959 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188810909 396387067 /nfs/dbraw/zinc/38/70/67/396387067.db2.gz OMXGOMZLVUBOTG-LBPRGKRZSA-N 0 0 310.369 0.902 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000188888568 396387808 /nfs/dbraw/zinc/38/78/08/396387808.db2.gz XURQXLMBUHLPNF-VIFPVBQESA-N 0 0 314.363 0.175 10 0 DCAERN NC(=O)NCCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188893531 396388516 /nfs/dbraw/zinc/38/85/16/396388516.db2.gz TZVWGMWZBCQWPB-UHFFFAOYSA-N 0 0 324.812 0.873 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000188955481 396389251 /nfs/dbraw/zinc/38/92/51/396389251.db2.gz YLYGEQGMWJNKJN-LLVKDONJSA-N 0 0 304.346 0.737 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)N1CC(CO)C1 ZINC000188968666 396389355 /nfs/dbraw/zinc/38/93/55/396389355.db2.gz VXDFFFXWHHFCOU-CQSZACIVSA-N 0 0 303.362 0.816 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N1CC(CO)C1 ZINC000189547039 396396485 /nfs/dbraw/zinc/39/64/85/396396485.db2.gz DNOZMVFNZRODKU-LLVKDONJSA-N 0 0 310.785 0.947 10 0 DCAERN O=S(=O)([C@H]1CCN(CCOCC(F)F)C1)N1CCCC1 ZINC000189575530 396396761 /nfs/dbraw/zinc/39/67/61/396396761.db2.gz PCODJISFKHGFCY-NSHDSACASA-N 0 0 312.382 0.768 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC000189593305 396396889 /nfs/dbraw/zinc/39/68/89/396396889.db2.gz XMNURAIBZZOOHB-GFCCVEGCSA-N 0 0 309.414 0.562 10 0 DCAERN CN1CCCN(C(=O)CCCNC(=O)c2ccccc2)CC1=O ZINC000189758315 396398493 /nfs/dbraw/zinc/39/84/93/396398493.db2.gz XIYYPPQKQCGAND-UHFFFAOYSA-N 0 0 317.389 0.887 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)Nc1cc(CCOC)nn1C ZINC000189779605 396398995 /nfs/dbraw/zinc/39/89/95/396398995.db2.gz WWULPSHZCVIDOL-SNVBAGLBSA-N 0 0 311.386 0.597 10 0 DCAERN Cc1cc(N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)n[nH]1 ZINC000189791126 396399502 /nfs/dbraw/zinc/39/95/02/396399502.db2.gz IWHVUMUYQQPPNX-UHFFFAOYSA-N 0 0 307.398 0.529 10 0 DCAERN CCN1CN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1=O ZINC000189879958 396400235 /nfs/dbraw/zinc/40/02/35/396400235.db2.gz PNEWULHSZDWVCY-JTQLQIEISA-N 0 0 307.398 0.799 10 0 DCAERN CCn1nccc1N1CCC[C@@H](NC(=O)C[C@H](C)OC)C1=O ZINC000189908370 396401104 /nfs/dbraw/zinc/40/11/04/396401104.db2.gz PCLPKWCFZZDKNU-NWDGAFQWSA-N 0 0 308.382 0.940 10 0 DCAERN CCCN1CCCN(C(=O)NCCCN2CCCC2=O)CC1=O ZINC000190094839 396402246 /nfs/dbraw/zinc/40/22/46/396402246.db2.gz IQVYHDVRQKSXNN-UHFFFAOYSA-N 0 0 324.425 0.653 10 0 DCAERN CN1CCCN(C(=O)NCCC(=O)Nc2ccccc2)CC1=O ZINC000190097189 396402286 /nfs/dbraw/zinc/40/22/86/396402286.db2.gz AQFYFPUXLFYEPS-UHFFFAOYSA-N 0 0 318.377 0.889 10 0 DCAERN CN1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1=O ZINC000190636759 396409013 /nfs/dbraw/zinc/40/90/13/396409013.db2.gz KANBSVQOYDSMNC-UHFFFAOYSA-N 0 0 323.780 0.761 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000190671627 396409766 /nfs/dbraw/zinc/40/97/66/396409766.db2.gz JMKBOGQIBGLYIS-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000190683679 396410238 /nfs/dbraw/zinc/41/02/38/396410238.db2.gz ZYBCSEMJXQGXPL-LLVKDONJSA-N 0 0 303.362 0.925 10 0 DCAERN COCCN1CCCN(CC(=O)N2CCC[C@H](C)C2)CC1=O ZINC000190763508 396411215 /nfs/dbraw/zinc/41/12/15/396411215.db2.gz APMKPIUJTGFYDA-AWEZNQCLSA-N 0 0 311.426 0.426 10 0 DCAERN CO[C@@H](C)CNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000190750357 396411321 /nfs/dbraw/zinc/41/13/21/396411321.db2.gz KSALUADZMZKTQW-VIFPVBQESA-N 0 0 303.384 0.040 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2nccs2)CC1=O ZINC000190793266 396411671 /nfs/dbraw/zinc/41/16/71/396411671.db2.gz LIEHFLWGUXGEAY-UHFFFAOYSA-N 0 0 312.395 0.262 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000287629587 396412865 /nfs/dbraw/zinc/41/28/65/396412865.db2.gz UEAKPJHNFTXQMC-GJZGRUSLSA-N 0 0 320.393 0.721 10 0 DCAERN CC1(C)CN(CC(=O)N2CCNC(=O)C2)CC2(CCCC2)O1 ZINC000190957890 396413008 /nfs/dbraw/zinc/41/30/08/396413008.db2.gz SKXSQDXOAPPMAW-UHFFFAOYSA-N 0 0 309.410 0.368 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000190979716 396413329 /nfs/dbraw/zinc/41/33/29/396413329.db2.gz LVYSLAZISXESLQ-MRVPVSSYSA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000190977590 396413404 /nfs/dbraw/zinc/41/34/04/396413404.db2.gz AGVDWFGYEHJTEG-SNVBAGLBSA-N 0 0 300.355 0.866 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191044590 396414417 /nfs/dbraw/zinc/41/44/17/396414417.db2.gz LYNGCEYODVOUBY-UHFFFAOYSA-N 0 0 324.768 0.673 10 0 DCAERN COc1ccc(CNC(=O)CN2CCCN(C)C(=O)C2)cc1 ZINC000191083277 396415230 /nfs/dbraw/zinc/41/52/30/396415230.db2.gz KEPZYXNBWSLYHN-UHFFFAOYSA-N 0 0 305.378 0.476 10 0 DCAERN C[C@@H](c1nnnn1-c1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191085908 396415399 /nfs/dbraw/zinc/41/53/99/396415399.db2.gz LJWPKCALMLFBJH-LBPRGKRZSA-N 0 0 300.366 0.887 10 0 DCAERN COCCN1CCCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000191248992 396417586 /nfs/dbraw/zinc/41/75/86/396417586.db2.gz HPUVYYZFPLUXLH-STQMWFEESA-N 0 0 312.410 0.897 10 0 DCAERN NC(=O)NC(=O)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193160791 396445122 /nfs/dbraw/zinc/44/51/22/396445122.db2.gz XDYPVTKJNAFTGD-UHFFFAOYSA-N 0 0 311.769 0.818 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)[nH]1 ZINC000191548533 396421257 /nfs/dbraw/zinc/42/12/57/396421257.db2.gz GJXNUMKVOJCVLX-UHFFFAOYSA-N 0 0 318.381 0.681 10 0 DCAERN CCN1CN(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1=O ZINC000191569894 396421728 /nfs/dbraw/zinc/42/17/28/396421728.db2.gz ZJZUYTKQMFXDCF-KBPBESRZSA-N 0 0 311.426 0.820 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000191760374 396424496 /nfs/dbraw/zinc/42/44/96/396424496.db2.gz ZGXPDKOCBYQJCR-FZMZJTMJSA-N 0 0 301.346 0.917 10 0 DCAERN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CCCc3n[nH]cc32)C1=O ZINC000193170687 396445555 /nfs/dbraw/zinc/44/55/55/396445555.db2.gz AJQLFXVNVBTONT-CLAHSXSESA-N 0 0 305.338 0.581 10 0 DCAERN NC(=O)c1ccccc1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000192050839 396429057 /nfs/dbraw/zinc/42/90/57/396429057.db2.gz GZEIIFGILBRKFJ-AWEZNQCLSA-N 0 0 317.389 0.261 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000192804490 396438279 /nfs/dbraw/zinc/43/82/79/396438279.db2.gz GJKRTUJTDGJNSX-ZYHUDNBSSA-N 0 0 310.785 0.923 10 0 DCAERN CCCNc1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1 ZINC000193011573 396442537 /nfs/dbraw/zinc/44/25/37/396442537.db2.gz PIHOJPKMAYLQQK-UHFFFAOYSA-N 0 0 304.350 0.677 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)NCC(F)(F)CO)n1 ZINC000193297265 396448245 /nfs/dbraw/zinc/44/82/45/396448245.db2.gz JLCXCNGKPYGYGS-UHFFFAOYSA-N 0 0 307.322 0.949 10 0 DCAERN CC1(C)COCCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000193495544 396452511 /nfs/dbraw/zinc/45/25/11/396452511.db2.gz ZTVQCPLLVMJKSC-LBPRGKRZSA-N 0 0 318.373 0.754 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000270104387 396461523 /nfs/dbraw/zinc/46/15/23/396461523.db2.gz ONNJRUUMZFVBCL-IIYDPXPESA-N 0 0 319.357 0.829 10 0 DCAERN C[C@H](NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1cn[nH]c1 ZINC000270327550 396464630 /nfs/dbraw/zinc/46/46/30/396464630.db2.gz LQMPBADZHNXXPG-SGMGOOAPSA-N 0 0 307.398 0.833 10 0 DCAERN CCNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000371611763 396472326 /nfs/dbraw/zinc/47/23/26/396472326.db2.gz NWYZWYAEDURAQZ-UHFFFAOYSA-N 0 0 309.391 0.793 10 0 DCAERN CN(C)C(=O)c1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000371785267 396476570 /nfs/dbraw/zinc/47/65/70/396476570.db2.gz XLUQTFMVKZNIPM-OAHLLOKOSA-N 0 0 317.389 0.545 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC[C@@H]2C(C)(C)O)CC1=O ZINC000371945821 396480510 /nfs/dbraw/zinc/48/05/10/396480510.db2.gz BKCCVYVTCDQWLL-MROQNXINSA-N 0 0 309.410 0.941 10 0 DCAERN CC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000372108360 396489522 /nfs/dbraw/zinc/48/95/22/396489522.db2.gz LVTCIEUFFCOAJL-ZDUSSCGKSA-N 0 0 303.362 0.868 10 0 DCAERN COC[C@](C)(O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000581774887 396582492 /nfs/dbraw/zinc/58/24/92/396582492.db2.gz ZBQCAJNRHRETRQ-DYEKYZERSA-N 0 0 301.383 0.068 10 0 DCAERN NC(=O)c1ncn([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 ZINC000372454463 396518626 /nfs/dbraw/zinc/51/86/26/396518626.db2.gz JQYHUWVHUCZNAC-VXGBXAGGSA-N 0 0 303.366 0.897 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CO2)N1CC(F)(F)C[C@@H]1CO ZINC000372547474 396526031 /nfs/dbraw/zinc/52/60/31/396526031.db2.gz NRUVOEQWXYPRMQ-SECBINFHSA-N 0 0 312.272 0.860 10 0 DCAERN CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000581579448 396565981 /nfs/dbraw/zinc/56/59/81/396565981.db2.gz YIUCTKHFQFNUPF-SNVBAGLBSA-N 0 0 318.333 0.731 10 0 DCAERN CN(C)C(=O)CCCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000530571330 396577851 /nfs/dbraw/zinc/57/78/51/396577851.db2.gz ADNNKIZTASYANJ-SNVBAGLBSA-N 0 0 309.332 0.998 10 0 DCAERN O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CC(n2ccnn2)C1 ZINC000373262045 396580353 /nfs/dbraw/zinc/58/03/53/396580353.db2.gz ZWCMYBZAUFZYEA-CYBMUJFWSA-N 0 0 315.333 0.538 10 0 DCAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000581890511 396591058 /nfs/dbraw/zinc/59/10/58/396591058.db2.gz UXTMJCVGWGJSTO-AAEUAGOBSA-N 0 0 318.439 0.922 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000531184326 396591105 /nfs/dbraw/zinc/59/11/05/396591105.db2.gz JWTOVMQYGNWMPK-ZDUSSCGKSA-N 0 0 313.361 0.827 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000373708169 396608643 /nfs/dbraw/zinc/60/86/43/396608643.db2.gz NVLLNHSJNOUYPZ-RWMBFGLXSA-N 0 0 324.425 0.553 10 0 DCAERN C[C@H]1COCCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000374333780 396656420 /nfs/dbraw/zinc/65/64/20/396656420.db2.gz SGGAEOKAMYZGKX-LLVKDONJSA-N 0 0 306.366 0.581 10 0 DCAERN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)COc1cnn(C)c1 ZINC000560740458 396623997 /nfs/dbraw/zinc/62/39/97/396623997.db2.gz ZFHKMBPMGWVXAG-QWHCGFSZSA-N 0 0 308.382 0.121 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)C1CCCC1 ZINC000374131395 396641360 /nfs/dbraw/zinc/64/13/60/396641360.db2.gz KEDQAVDNGUCLDS-ADDUCUOXSA-N 0 0 321.421 0.807 10 0 DCAERN CCOCCONC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374669798 396679220 /nfs/dbraw/zinc/67/92/20/396679220.db2.gz OTGZADXSRWZKCX-STQMWFEESA-N 0 0 316.398 0.821 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C)SCc2cnn(C)c2)CC1 ZINC000588923564 396699696 /nfs/dbraw/zinc/69/96/96/396699696.db2.gz VPEKATNWBHMEIM-LLVKDONJSA-N 0 0 310.423 0.733 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)N2CCN(C3CC3)CC2)CC1 ZINC000589125546 396704580 /nfs/dbraw/zinc/70/45/80/396704580.db2.gz NUBGHVWEGCURGX-UHFFFAOYSA-N 0 0 316.423 0.582 10 0 DCAERN Cc1noc(C)c1CO[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC000375162718 396715066 /nfs/dbraw/zinc/71/50/66/396715066.db2.gz YJNLCRWKFPCGAJ-LBPRGKRZSA-N 0 0 317.411 0.432 10 0 DCAERN Cn1cc([C@](C)(O)CNc2nnc(Cl)cc2C(N)=O)cn1 ZINC000301481646 396717017 /nfs/dbraw/zinc/71/70/17/396717017.db2.gz SNALCKDISSDWRO-GFCCVEGCSA-N 0 0 310.745 0.282 10 0 DCAERN CCc1cc(=O)n2nc(N3C[C@H](COC)O[C@@H](C)C3)sc2n1 ZINC000302559530 396720377 /nfs/dbraw/zinc/72/03/77/396720377.db2.gz MNEVXDGZSIMTQZ-GXSJLCMTSA-N 0 0 324.406 0.954 10 0 DCAERN CN1C[C@@H](NC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)CC1=O ZINC000375589180 396777683 /nfs/dbraw/zinc/77/76/83/396777683.db2.gz AOMWUIVETOSQON-QWRGUYRKSA-N 0 0 319.365 0.677 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@]1(C)CO ZINC000305698636 396745661 /nfs/dbraw/zinc/74/56/61/396745661.db2.gz OYTZBLNRFGEMLL-WCQYABFASA-N 0 0 301.412 0.866 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000625067685 396763296 /nfs/dbraw/zinc/76/32/96/396763296.db2.gz UGAXQDWVBYTMOF-PWSUYJOCSA-N 0 0 304.412 0.436 10 0 DCAERN Cn1nccc1CCNc1nccc(N[C@H]2CCCOC2)n1 ZINC000328633406 396827053 /nfs/dbraw/zinc/82/70/53/396827053.db2.gz LYJTYLIGRZMYCX-LBPRGKRZSA-N 0 0 302.382 0.299 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CCNC(=O)CC3)[C@H]2C1 ZINC000564635362 396849714 /nfs/dbraw/zinc/84/97/14/396849714.db2.gz UYHJLNPPZGCQHZ-IHRRRGAJSA-N 0 0 322.409 0.165 10 0 DCAERN O=C(NCc1nnnn1CC1CC1)[C@@H]1CCc2cncn2C1 ZINC000564659573 396854640 /nfs/dbraw/zinc/85/46/40/396854640.db2.gz YQXCGSXSEUXZLQ-LLVKDONJSA-N 0 0 301.354 0.158 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)[C@@H]1CCCOC1 ZINC000330350568 396858546 /nfs/dbraw/zinc/85/85/46/396858546.db2.gz LGENUOWQWSIHGW-GHMZBOCLSA-N 0 0 311.425 0.004 10 0 DCAERN COC(=O)C(C)(C)CS(=O)(=O)CCCS(C)(=O)=O ZINC000319711023 396810460 /nfs/dbraw/zinc/81/04/60/396810460.db2.gz UEKXSFPOAWEZEB-UHFFFAOYSA-N 0 0 300.398 0.035 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(CCO)C2)ccc1C ZINC000564224324 396817332 /nfs/dbraw/zinc/81/73/32/396817332.db2.gz KAQQYAQWIONFSJ-UHFFFAOYSA-N 0 0 304.346 0.977 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCC[C@]1(C)CO ZINC000564837961 396876765 /nfs/dbraw/zinc/87/67/65/396876765.db2.gz QHNCTRSNNIUMAV-OAHLLOKOSA-N 0 0 308.382 0.855 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCc3n[nH]nc3C1)CC2 ZINC000332773532 396893095 /nfs/dbraw/zinc/89/30/95/396893095.db2.gz YGALAKDXBBBHKJ-ZJUUUORDSA-N 0 0 315.381 0.195 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCN(C)C1=O ZINC000332908432 396903757 /nfs/dbraw/zinc/90/37/57/396903757.db2.gz ZSFAYHJBUXUVJM-AXFHLTTASA-N 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/nfs/dbraw/zinc/98/09/20/396980920.db2.gz OMXVOUAFPVYNJR-RYUDHWBXSA-N 0 0 308.382 0.789 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)CCN1S(C)(=O)=O ZINC000618675987 397009313 /nfs/dbraw/zinc/00/93/13/397009313.db2.gz KWJCFFLDZLUGPI-RISCZKNCSA-N 0 0 308.403 0.819 10 0 DCAERN COCc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)o1 ZINC000618682130 397012691 /nfs/dbraw/zinc/01/26/91/397012691.db2.gz YHZGPYXBTQAKHH-SNVBAGLBSA-N 0 0 316.379 0.532 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccnn1CC ZINC000618754423 397023050 /nfs/dbraw/zinc/02/30/50/397023050.db2.gz BBJPXWDSACPGGL-UWVGGRQHSA-N 0 0 310.354 0.089 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc[nH]1 ZINC000625880883 397023850 /nfs/dbraw/zinc/02/38/50/397023850.db2.gz UDMQMWMSUTXGDQ-UHFFFAOYSA-N 0 0 308.382 0.440 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCn3nccc32)cc1 ZINC000377134948 397034683 /nfs/dbraw/zinc/03/46/83/397034683.db2.gz WRQQTOBYQANPKK-UHFFFAOYSA-N 0 0 307.331 0.879 10 0 DCAERN CCCc1cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)[nH]n1 ZINC000618883036 397035924 /nfs/dbraw/zinc/03/59/24/397035924.db2.gz SQCBKHARKFPDSZ-VHSXEESVSA-N 0 0 324.381 0.548 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376745061 396971711 /nfs/dbraw/zinc/97/17/11/396971711.db2.gz CPXXQCLSJHCCAA-GFCCVEGCSA-N 0 0 312.414 0.004 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)NCc1nnc3ccccn31)CC2 ZINC000376748500 396972960 /nfs/dbraw/zinc/97/29/60/396972960.db2.gz BHBGWKUDXILUES-LLVKDONJSA-N 0 0 310.361 0.884 10 0 DCAERN CC(=O)[C@@](C)(O)CN(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142286 397088293 /nfs/dbraw/zinc/08/82/93/397088293.db2.gz BMKPMDNHTVFARP-INIZCTEOSA-N 0 0 322.361 0.668 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000572750254 397092418 /nfs/dbraw/zinc/09/24/18/397092418.db2.gz UKGFVNATWJYWLQ-JQWIXIFHSA-N 0 0 307.394 0.609 10 0 DCAERN CC(C)(C)OC(=O)CCCCNC(=O)CN1CCOCC1=O ZINC000619219819 397099199 /nfs/dbraw/zinc/09/91/99/397099199.db2.gz REPSZRUPFBAVJK-UHFFFAOYSA-N 0 0 314.382 0.473 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC000630883287 397129064 /nfs/dbraw/zinc/12/90/64/397129064.db2.gz OSXAMGFNZPSPFI-CYBMUJFWSA-N 0 0 303.366 0.136 10 0 DCAERN COC(=O)c1cc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)on1 ZINC000619457914 397133935 /nfs/dbraw/zinc/13/39/35/397133935.db2.gz XZNQXWKNTWADSB-OAHLLOKOSA-N 0 0 324.333 0.871 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC3(C2)CCOCC3)c(C2CC2)n1 ZINC000573152174 397140255 /nfs/dbraw/zinc/14/02/55/397140255.db2.gz OANWMMDDYAJYRA-UHFFFAOYSA-N 0 0 318.377 0.875 10 0 DCAERN COC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)s1 ZINC000597839107 397118890 /nfs/dbraw/zinc/11/88/90/397118890.db2.gz OTQHSGHQGJWECA-PTRXPTGYSA-N 0 0 321.358 0.836 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CN1CCCC1=O ZINC000364423374 397199539 /nfs/dbraw/zinc/19/95/39/397199539.db2.gz LBEZLCTVZJGMAS-CYBMUJFWSA-N 0 0 320.393 0.559 10 0 DCAERN CCOC(=O)C(NC(=O)c1cncc(COC)c1)C(=O)OCC ZINC000613175014 397210625 /nfs/dbraw/zinc/21/06/25/397210625.db2.gz WEFWIYKDUPSTJO-UHFFFAOYSA-N 0 0 324.333 0.453 10 0 DCAERN COC[C@H](C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364608967 397227283 /nfs/dbraw/zinc/22/72/83/397227283.db2.gz WLXKCLBFPKBUNC-NWDGAFQWSA-N 0 0 304.412 0.295 10 0 DCAERN O=C(NC1(c2nnn[n-]2)CC1)c1cnn(-c2ccccc2F)c1 ZINC000574101331 397236588 /nfs/dbraw/zinc/23/65/88/397236588.db2.gz ZPJAXRNROBVBNF-UHFFFAOYSA-N 0 0 313.296 0.944 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1=O ZINC000364725349 397239917 /nfs/dbraw/zinc/23/99/17/397239917.db2.gz ZOPAKVJMAMJOQI-DZGCQCFKSA-N 0 0 323.437 0.567 10 0 DCAERN Cn1cc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)nn1 ZINC000389979996 397298544 /nfs/dbraw/zinc/29/85/44/397298544.db2.gz HYGMSLVHRKMSMF-UHFFFAOYSA-N 0 0 311.754 0.819 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCO[C@@H](CC(F)(F)F)C2)nn1 ZINC000620776035 397301068 /nfs/dbraw/zinc/30/10/68/397301068.db2.gz BVVFOUSCKQAILU-VIFPVBQESA-N 0 0 320.271 0.661 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cccc([S@](C)=O)c2)C1 ZINC000613713660 397306546 /nfs/dbraw/zinc/30/65/46/397306546.db2.gz SMDHMOWDVIXQHQ-IPQOISQHSA-N 0 0 323.418 0.958 10 0 DCAERN COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000613718964 397307720 /nfs/dbraw/zinc/30/77/20/397307720.db2.gz NVRVWRLTQLBNMR-NWDGAFQWSA-N 0 0 322.427 0.614 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000407953256 397334709 /nfs/dbraw/zinc/33/47/09/397334709.db2.gz LJDBSAPZCSHERI-AGIUHOORSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1sc(=O)n(CC(=O)N2CCN(C3CC3)C(=O)C2)c1C ZINC000407959448 397336587 /nfs/dbraw/zinc/33/65/87/397336587.db2.gz WDDZTWOHVGYMIS-UHFFFAOYSA-N 0 0 309.391 0.360 10 0 DCAERN NC(=O)c1cn(C2CN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)nn1 ZINC000407966051 397339757 /nfs/dbraw/zinc/33/97/57/397339757.db2.gz MAVJSQZVNBKSQX-MRVPVSSYSA-N 0 0 313.308 0.586 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2COCCO2)C[C@H]1C ZINC000407966248 397339866 /nfs/dbraw/zinc/33/98/66/397339866.db2.gz AALCTPLDOOVLNA-UHIISALHSA-N 0 0 300.355 0.242 10 0 DCAERN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000366134412 397340662 /nfs/dbraw/zinc/34/06/62/397340662.db2.gz GDBVRKYDEQLUGQ-XJFOESAGSA-N 0 0 311.426 0.741 10 0 DCAERN CO[C@H](C)c1nsc(N2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC000407973808 397342815 /nfs/dbraw/zinc/34/28/15/397342815.db2.gz BHPLEQJKLMFLNN-SFYZADRCSA-N 0 0 306.413 0.503 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408066424 397346041 /nfs/dbraw/zinc/34/60/41/397346041.db2.gz YCZZIWKDBLTBOA-AAVRWANBSA-N 0 0 310.394 0.386 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000366169549 397347061 /nfs/dbraw/zinc/34/70/61/397347061.db2.gz IMSWNIRLWAZQJV-SMDDNHRTSA-N 0 0 314.407 0.016 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NCC1CCC1 ZINC000408141737 397348085 /nfs/dbraw/zinc/34/80/85/397348085.db2.gz XWMPWMXDTUQDLA-NEPJUHHUSA-N 0 0 303.428 0.946 10 0 DCAERN C[C@@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408218631 397350334 /nfs/dbraw/zinc/35/03/34/397350334.db2.gz JCVGOKPHVMALFQ-UONOGXRCSA-N 0 0 316.467 1.000 10 0 DCAERN C[C@H]1OCCC[C@H]1C(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000408324208 397352641 /nfs/dbraw/zinc/35/26/41/397352641.db2.gz JLCBZXXPWUPAQV-HBIQZDMRSA-N 0 0 311.382 0.671 10 0 DCAERN C[C@H]1CC2(CCC2)CN1C(=O)C1(n2cnnn2)CCOCC1 ZINC000614011751 397361777 /nfs/dbraw/zinc/36/17/77/397361777.db2.gz DSVVXWNNNLCRMG-LBPRGKRZSA-N 0 0 305.382 0.970 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000366504223 397368977 /nfs/dbraw/zinc/36/89/77/397368977.db2.gz JRAOJTDCALZCHD-QWQWKMKNSA-N 0 0 317.407 0.815 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H](C)S(C)(=O)=O ZINC000369283435 397436766 /nfs/dbraw/zinc/43/67/66/397436766.db2.gz BRQYCNIUYXIMSO-YFKTTZPYSA-N 0 0 317.407 0.752 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000460077827 397445303 /nfs/dbraw/zinc/44/53/03/397445303.db2.gz QRRJTCHTYAVNRX-SUMWQHHRSA-N 0 0 321.421 0.764 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@](C)(C(F)F)C2)C1 ZINC000621526503 397393718 /nfs/dbraw/zinc/39/37/18/397393718.db2.gz UGCCHCJZWMWHJK-ZWNOBZJWSA-N 0 0 305.325 0.673 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)[C@@]2(O)CCOC2)C1 ZINC000621578059 397400157 /nfs/dbraw/zinc/40/01/57/397400157.db2.gz YPAZXWBECFYWQV-IUODEOHRSA-N 0 0 313.398 0.084 10 0 DCAERN CCC[C@@H](O)CC(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000614649476 397491213 /nfs/dbraw/zinc/49/12/13/397491213.db2.gz UCOSNTUVXKMEAS-GFCCVEGCSA-N 0 0 300.399 0.633 10 0 DCAERN CCn1ncnc1CN1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000488170945 397487117 /nfs/dbraw/zinc/48/71/17/397487117.db2.gz NGEDUGMAOZRYHG-UHFFFAOYSA-N 0 0 316.413 0.476 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)C(=O)N1CC[C@H](C2CC2)C1 ZINC000578901840 397501087 /nfs/dbraw/zinc/50/10/87/397501087.db2.gz XQZSMHGTDFHRHG-NWDGAFQWSA-N 0 0 303.366 0.488 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000603589158 397617233 /nfs/dbraw/zinc/61/72/33/397617233.db2.gz ZGDQVQCUCKRTBD-UHFFFAOYSA-N 0 0 303.370 0.171 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)CC1=O ZINC000608220034 397721323 /nfs/dbraw/zinc/72/13/23/397721323.db2.gz UFZQKXQFANOJPD-VGMNWLOBSA-N 0 0 307.375 0.586 10 0 DCAERN CN(C)S(=O)(=O)N1CCN(C(=O)NCCCC2CC2)CC1 ZINC000605608352 397670094 /nfs/dbraw/zinc/67/00/94/397670094.db2.gz HQRHIYZPIQNLRV-UHFFFAOYSA-N 0 0 318.443 0.310 10 0 DCAERN C[C@H]1C[C@H]1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000605847202 397672272 /nfs/dbraw/zinc/67/22/72/397672272.db2.gz IZDPRLMKTOFDGJ-ZFWWWQNUSA-N 0 0 322.453 0.886 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc2nccn2c1 ZINC000606533150 397683332 /nfs/dbraw/zinc/68/33/32/397683332.db2.gz IEYCHRMZBZCQFZ-UHFFFAOYSA-N 0 0 319.346 0.573 10 0 DCAERN O=C(CNC(=O)NCc1nnnn1C1CC1)NC1CCCCC1 ZINC000608465817 397732144 /nfs/dbraw/zinc/73/21/44/397732144.db2.gz XYPLGFNVBSNXRP-UHFFFAOYSA-N 0 0 321.385 0.256 10 0 DCAERN C[C@H]1C[C@H](C)N(C(=O)NCCCN2CCCS2(=O)=O)C1 ZINC000607179337 397698547 /nfs/dbraw/zinc/69/85/47/397698547.db2.gz WGVCARUFYCGIIT-RYUDHWBXSA-N 0 0 303.428 0.852 10 0 DCAERN C[C@@H](O)C[C@H](C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000607240194 397699259 /nfs/dbraw/zinc/69/92/59/397699259.db2.gz VBVWCENUPSXJKD-NWDGAFQWSA-N 0 0 321.443 0.118 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC000608914968 397759392 /nfs/dbraw/zinc/75/93/92/397759392.db2.gz JGRKRQBIBQJELN-LBPRGKRZSA-N 0 0 305.334 0.223 10 0 DCAERN Cc1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(C)[nH]1 ZINC000608591374 397738904 /nfs/dbraw/zinc/73/89/04/397738904.db2.gz MHIMIPHIKOHIEU-BONVTDFDSA-N 0 0 304.350 0.740 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnc(C2CC2)nc1 ZINC000154991106 545842541 /nfs/dbraw/zinc/84/25/41/545842541.db2.gz GTVNXESTXJKISY-GFCCVEGCSA-N 0 0 304.350 0.930 10 0 DCAERN Cc1ccc(N2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)nn1 ZINC000096082321 292140220 /nfs/dbraw/zinc/14/02/20/292140220.db2.gz AZMGRRMFBXZKPI-UONOGXRCSA-N 0 0 312.377 0.917 10 0 DCAERN CCOCCNC(=O)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369554358 286095120 /nfs/dbraw/zinc/09/51/20/286095120.db2.gz XXOLTOVHWKGQEB-OAHLLOKOSA-N 0 0 300.399 0.409 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000370699826 286121472 /nfs/dbraw/zinc/12/14/72/286121472.db2.gz MJSBFJYIWBYBCE-CYBMUJFWSA-N 0 0 307.412 0.623 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CC[S@](C)=O)C12CCOCC2 ZINC000186466743 286344332 /nfs/dbraw/zinc/34/43/32/286344332.db2.gz XIAYNALQKGGBJZ-ZBUHCNDUSA-N 0 0 303.424 0.845 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ncnn2C)C12CCOCC2 ZINC000184552528 286369952 /nfs/dbraw/zinc/36/99/52/286369952.db2.gz BFWNFLRTMBTSRL-WDEREUQCSA-N 0 0 309.370 0.911 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnn2ccc(C)nc12 ZINC000074596350 286616602 /nfs/dbraw/zinc/61/66/02/286616602.db2.gz HRPJSGWAYQQVBD-LLVKDONJSA-N 0 0 324.406 0.933 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172137641 286638708 /nfs/dbraw/zinc/63/87/08/286638708.db2.gz KNYIPZPTVQMWAN-ACJTYDJDSA-N 0 0 318.439 0.612 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCOC[C@H]1CC(C)C ZINC000176698563 286648380 /nfs/dbraw/zinc/64/83/80/286648380.db2.gz XXSCXUHSBFPEKQ-GFCCVEGCSA-N 0 0 306.428 0.541 10 0 DCAERN CN1N=C(C(=O)NC2CCN(c3ccccn3)CC2)CCC1=O ZINC000046619248 158002008 /nfs/dbraw/zinc/00/20/08/158002008.db2.gz BCHAVMUDFTXDPW-UHFFFAOYSA-N 0 0 315.377 0.775 10 0 DCAERN CCNc1nnc(SC[C@@H](O)CN2CCOCC2)s1 ZINC000048430380 158005661 /nfs/dbraw/zinc/00/56/61/158005661.db2.gz VQXNZLHRIOKAQU-VIFPVBQESA-N 0 0 304.441 0.755 10 0 DCAERN CCCNC(=O)CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000048067025 158005932 /nfs/dbraw/zinc/00/59/32/158005932.db2.gz KRMWSCZCRJWFIK-UHFFFAOYSA-N 0 0 319.409 0.876 10 0 DCAERN COC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000055110736 158021189 /nfs/dbraw/zinc/02/11/89/158021189.db2.gz VGWAFLITHHHEFT-LBPRGKRZSA-N 0 0 324.402 0.961 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000060395793 158027395 /nfs/dbraw/zinc/02/73/95/158027395.db2.gz GFFSBZKGAOYKFD-UHFFFAOYSA-N 0 0 304.350 0.966 10 0 DCAERN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCNC(=O)CC1 ZINC000068465442 158043579 /nfs/dbraw/zinc/04/35/79/158043579.db2.gz DKRMWRPEPGZWOB-UHFFFAOYSA-N 0 0 311.288 0.043 10 0 DCAERN O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1cccnc1 ZINC000070718514 158048858 /nfs/dbraw/zinc/04/88/58/158048858.db2.gz PSAFKBPKWKHFJX-LBPRGKRZSA-N 0 0 313.313 0.976 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1O ZINC000073109286 158054111 /nfs/dbraw/zinc/05/41/11/158054111.db2.gz VRRQZAFOIHFYEW-QKCSRTOESA-N 0 0 304.346 0.806 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(O)cc1 ZINC000073107779 158054343 /nfs/dbraw/zinc/05/43/43/158054343.db2.gz SAYLKNPRUYPYDL-MCIONIFRSA-N 0 0 304.346 0.806 10 0 DCAERN Cc1nc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)no1 ZINC000074611705 158059241 /nfs/dbraw/zinc/05/92/41/158059241.db2.gz FXOYVZUDTINGFN-ZDUSSCGKSA-N 0 0 323.397 0.774 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000074685057 158060044 /nfs/dbraw/zinc/06/00/44/158060044.db2.gz LFAJZFOWDDDKDK-BXUZGUMPSA-N 0 0 303.362 0.823 10 0 DCAERN CC1(C)CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000075610680 158062470 /nfs/dbraw/zinc/06/24/70/158062470.db2.gz HXLJOFOJLVVZOH-UHFFFAOYSA-N 0 0 302.330 0.920 10 0 DCAERN CCCNC(=O)NC(=O)CNc1cc(-n2cnnn2)ccc1F ZINC000076667224 158064489 /nfs/dbraw/zinc/06/44/89/158064489.db2.gz PEZJZXPCSGURLI-UHFFFAOYSA-N 0 0 321.316 0.449 10 0 DCAERN NC(=O)COc1cccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1 ZINC000077162073 158067696 /nfs/dbraw/zinc/06/76/96/158067696.db2.gz BQQLTLZBSCLZCS-GXTWGEPZSA-N 0 0 306.362 0.832 10 0 DCAERN NC(=O)COc1cccc(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077162076 158067803 /nfs/dbraw/zinc/06/78/03/158067803.db2.gz BQQLTLZBSCLZCS-TZMCWYRMSA-N 0 0 306.362 0.832 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)CC1)C(=O)N1CCCC[C@H]1C ZINC000077619236 158068756 /nfs/dbraw/zinc/06/87/56/158068756.db2.gz MKKXUXMZQNJQIT-VXGBXAGGSA-N 0 0 310.398 0.307 10 0 DCAERN Cc1ccc([C@H]2C[C@@H]2C(=O)NCCN2C(=O)CNC2=O)s1 ZINC000078693198 158073881 /nfs/dbraw/zinc/07/38/81/158073881.db2.gz OACLXBPMBDNSTI-UWVGGRQHSA-N 0 0 307.375 0.828 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)NCCN1CCOCC1 ZINC000080564200 158081162 /nfs/dbraw/zinc/08/11/62/158081162.db2.gz LARLSSPRUIYOPK-UHFFFAOYSA-N 0 0 309.414 0.671 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC000088196821 158092704 /nfs/dbraw/zinc/09/27/04/158092704.db2.gz SBUURHHTGMMYID-JTQLQIEISA-N 0 0 318.385 0.602 10 0 DCAERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCNC(=O)C1 ZINC000088668730 158094932 /nfs/dbraw/zinc/09/49/32/158094932.db2.gz LZELVUAYWXURER-JTQLQIEISA-N 0 0 324.331 0.685 10 0 DCAERN CCNS(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088785088 158096233 /nfs/dbraw/zinc/09/62/33/158096233.db2.gz QDYBVYPOVQUSBZ-SECBINFHSA-N 0 0 305.350 0.987 10 0 DCAERN CNC(=O)NCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000090064110 158101746 /nfs/dbraw/zinc/10/17/46/158101746.db2.gz HFVRJFCRJNFZRB-LLVKDONJSA-N 0 0 301.350 0.979 10 0 DCAERN COC(=O)[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)C(C)C ZINC000091000116 158106158 /nfs/dbraw/zinc/10/61/58/158106158.db2.gz LBZLPPIQJMIAMB-GFCCVEGCSA-N 0 0 317.345 0.930 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NC[C@](C)(O)C[NH+](C)C)cnc12 ZINC000091077227 158107033 /nfs/dbraw/zinc/10/70/33/158107033.db2.gz ZEKAFRLIRVIWCX-INIZCTEOSA-N 0 0 318.377 0.045 10 0 DCAERN CCOc1ccc2cc(C(=O)N3CCOC[C@H]3C(N)=O)[nH]c2c1 ZINC000091778958 158109258 /nfs/dbraw/zinc/10/92/58/158109258.db2.gz BPTCFKHAIAZXHM-AWEZNQCLSA-N 0 0 317.345 0.893 10 0 DCAERN Cc1cc(C)n2c(CN3CCN4C(=O)NC[C@H]4C3)cnc2n1 ZINC000091864699 158110739 /nfs/dbraw/zinc/11/07/39/158110739.db2.gz NQXVOCMSIJIUPL-LBPRGKRZSA-N 0 0 300.366 0.556 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(COC)o2)C1 ZINC000092771381 158114562 /nfs/dbraw/zinc/11/45/62/158114562.db2.gz OESONQHWJQWWCE-NSHDSACASA-N 0 0 316.379 0.580 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2c[nH]cn2)CC1 ZINC000093077844 158119673 /nfs/dbraw/zinc/11/96/73/158119673.db2.gz KSFCRZUUCUBUTG-ZDUSSCGKSA-N 0 0 305.426 0.975 10 0 DCAERN CCCS(=O)(=O)CCN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000097153447 158125455 /nfs/dbraw/zinc/12/54/55/158125455.db2.gz ZRTFQFBGPIQPNI-AWEZNQCLSA-N 0 0 318.483 0.996 10 0 DCAERN COC(=O)N[C@H](C(=O)N1CCC(n2cncn2)CC1)C(C)C ZINC000108263827 158135503 /nfs/dbraw/zinc/13/55/03/158135503.db2.gz MDBDIXNSONEVMX-LBPRGKRZSA-N 0 0 309.370 0.822 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000111355300 158141264 /nfs/dbraw/zinc/14/12/64/158141264.db2.gz BRISZDHSKRFBLX-QNWHQSFQSA-N 0 0 306.428 0.840 10 0 DCAERN Cc1ccc(CCCC(=O)NCCN2C(=O)CNC2=O)cc1 ZINC000113193531 158145397 /nfs/dbraw/zinc/14/53/97/158145397.db2.gz CVTYIKMENKAIBO-UHFFFAOYSA-N 0 0 303.362 0.986 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000113633109 158149316 /nfs/dbraw/zinc/14/93/16/158149316.db2.gz HTZQMZVDWRRREB-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN CC(=O)NCCNC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000114582804 158155008 /nfs/dbraw/zinc/15/50/08/158155008.db2.gz CEXZYWJBMNYKTP-CQSZACIVSA-N 0 0 318.377 0.617 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)CC2 ZINC000114862867 158158060 /nfs/dbraw/zinc/15/80/60/158158060.db2.gz CWPBIBOSYOIHEY-STQMWFEESA-N 0 0 322.409 0.857 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114939718 158159873 /nfs/dbraw/zinc/15/98/73/158159873.db2.gz VYTBKGJBWCCWAB-LLVKDONJSA-N 0 0 322.413 0.371 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cccc(-n3cncn3)c1)CC2 ZINC000115358563 158161391 /nfs/dbraw/zinc/16/13/91/158161391.db2.gz VWGAWAIWXDTQHW-CYBMUJFWSA-N 0 0 323.360 0.912 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C2)cn1 ZINC000116119346 158164060 /nfs/dbraw/zinc/16/40/60/158164060.db2.gz YKFBAGPAVVUEFF-NSHDSACASA-N 0 0 304.350 0.275 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116453504 158166252 /nfs/dbraw/zinc/16/62/52/158166252.db2.gz KVDIUDBVXNBUJT-CYBMUJFWSA-N 0 0 321.377 0.976 10 0 DCAERN C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116833974 158167643 /nfs/dbraw/zinc/16/76/43/158167643.db2.gz PCQHCUXEFWPJKC-FRRDWIJNSA-N 0 0 318.439 0.732 10 0 DCAERN CC1CCC(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000116890032 158168778 /nfs/dbraw/zinc/16/87/78/158168778.db2.gz RQDMAFCDVMPZKV-WXRRBKDZSA-N 0 0 317.455 0.305 10 0 DCAERN COCCN1CCN(C(=O)NCCCC(=O)N(C)C)C[C@@H]1C ZINC000117484686 158171556 /nfs/dbraw/zinc/17/15/56/158171556.db2.gz GUIDLBPHMSPXQX-ZDUSSCGKSA-N 0 0 314.430 0.217 10 0 DCAERN O=C(COC[C@H]1CCOC1)NCc1cccnc1-n1ccnc1 ZINC000117752004 158173008 /nfs/dbraw/zinc/17/30/08/158173008.db2.gz FPALWXXMWWOWIP-ZDUSSCGKSA-N 0 0 316.361 0.937 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCN1C(=O)CCC1=O ZINC000117805758 158173245 /nfs/dbraw/zinc/17/32/45/158173245.db2.gz KVTLHKIANUVEQQ-MEBBXXQBSA-N 0 0 302.330 0.816 10 0 DCAERN Cc1cnn(CCNC(=O)c2cccc(OCC(N)=O)c2)c1 ZINC000117809177 158173597 /nfs/dbraw/zinc/17/35/97/158173597.db2.gz WZSRGFAVDMBGNY-UHFFFAOYSA-N 0 0 302.334 0.486 10 0 DCAERN C[C@@H]1SCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)[C@H]1C ZINC000118289489 158175813 /nfs/dbraw/zinc/17/58/13/158175813.db2.gz ZLPOFONFEBNMDD-UWVGGRQHSA-N 0 0 321.406 0.482 10 0 DCAERN Cn1cccc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000119104183 158182562 /nfs/dbraw/zinc/18/25/62/158182562.db2.gz HDRSLVLGKOQEFH-LBPRGKRZSA-N 0 0 311.407 0.665 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)c2cc(C(N)=O)cn2C)n[nH]1 ZINC000119430387 158187112 /nfs/dbraw/zinc/18/71/12/158187112.db2.gz MFKQJEVEHKKQEM-UHFFFAOYSA-N 0 0 313.321 0.500 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C1 ZINC000119570583 158188721 /nfs/dbraw/zinc/18/87/21/158188721.db2.gz DOXKWKVQLNQFNB-NSHDSACASA-N 0 0 303.428 0.693 10 0 DCAERN CCCCS[C@H](C)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000119574987 158189398 /nfs/dbraw/zinc/18/93/98/158189398.db2.gz USOJIMXEGYULAD-CHWSQXEVSA-N 0 0 304.456 0.718 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCCCC(=O)NC2CC2)C1 ZINC000119994301 158191895 /nfs/dbraw/zinc/19/18/95/158191895.db2.gz WTDHNJPOZDMSHJ-NSHDSACASA-N 0 0 303.428 0.612 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CCC(n2cncn2)CC1 ZINC000120280782 158196171 /nfs/dbraw/zinc/19/61/71/158196171.db2.gz QCIAPZCECFXGRM-UHFFFAOYSA-N 0 0 307.398 0.994 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2(O)CCCC2)C1 ZINC000120264593 158196740 /nfs/dbraw/zinc/19/67/40/158196740.db2.gz FWPCSIWPDWYABS-NSHDSACASA-N 0 0 304.412 0.220 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)N1CCC(n2cncn2)CC1 ZINC000120380951 158197714 /nfs/dbraw/zinc/19/77/14/158197714.db2.gz ZMEILAMULYRZLM-SNVBAGLBSA-N 0 0 321.410 0.751 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(n2cncn2)CC1 ZINC000120362998 158198125 /nfs/dbraw/zinc/19/81/25/158198125.db2.gz JPYLBPUKKGWXMU-LBPRGKRZSA-N 0 0 309.395 0.363 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000120610632 158200901 /nfs/dbraw/zinc/20/09/01/158200901.db2.gz RKYXPYIDQLGRST-ZDUSSCGKSA-N 0 0 301.346 0.457 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCOC(C)(C)C3)nc2n1 ZINC000120650595 158202266 /nfs/dbraw/zinc/20/22/66/158202266.db2.gz PGLNIADQACVAOZ-UHFFFAOYSA-N 0 0 303.366 0.921 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)C2)C1 ZINC000120849372 158203433 /nfs/dbraw/zinc/20/34/33/158203433.db2.gz KSRGGXXYGJRHMW-OLZOCXBDSA-N 0 0 310.398 0.307 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000121057679 158206790 /nfs/dbraw/zinc/20/67/90/158206790.db2.gz QXSMOCWFQHWESP-JTQLQIEISA-N 0 0 317.415 0.327 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2c2nccs2)CCO1 ZINC000121354911 158210243 /nfs/dbraw/zinc/21/02/43/158210243.db2.gz CUXCDSOLVZLXBA-GHMZBOCLSA-N 0 0 324.406 0.085 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N[C@H]1C=CCCC1 ZINC000122291475 158220228 /nfs/dbraw/zinc/22/02/28/158220228.db2.gz NIKDLGLAGHXHHF-NSHDSACASA-N 0 0 312.333 0.826 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123355530 158229132 /nfs/dbraw/zinc/22/91/32/158229132.db2.gz KNSLJGSPVQUMMZ-OCCSQVGLSA-N 0 0 324.402 0.886 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC000123728042 158232752 /nfs/dbraw/zinc/23/27/52/158232752.db2.gz ZVZIPHJEHYZYMC-AWEZNQCLSA-N 0 0 319.405 0.170 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H](C)O1 ZINC000124053823 158237435 /nfs/dbraw/zinc/23/74/35/158237435.db2.gz ZTHJDQAEPCVIBR-RKDXNWHRSA-N 0 0 312.288 0.269 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CCO)C1 ZINC000124180499 158238270 /nfs/dbraw/zinc/23/82/70/158238270.db2.gz SVGJJTRHJHKZHF-NSHDSACASA-N 0 0 313.375 0.866 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CCc2ccc(Cl)cc2C1 ZINC000124268920 158240002 /nfs/dbraw/zinc/24/00/02/158240002.db2.gz BBPZSCMLDMAKLC-UHFFFAOYSA-N 0 0 307.737 0.777 10 0 DCAERN O=C(Nc1ccccc1-n1cccn1)N[C@@H]1CCC(=O)NC1=O ZINC000125693569 158257741 /nfs/dbraw/zinc/25/77/41/158257741.db2.gz SWYGYUMWMPHMMN-LLVKDONJSA-N 0 0 313.317 0.799 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(OC)no3)CCO2)[nH]1 ZINC000125855519 158259125 /nfs/dbraw/zinc/25/91/25/158259125.db2.gz YWUKEEJDZNMMPZ-VIFPVBQESA-N 0 0 307.310 0.577 10 0 DCAERN CN1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CC1=O ZINC000125997894 158260789 /nfs/dbraw/zinc/26/07/89/158260789.db2.gz RIGHUOTXBJSPCR-AWEZNQCLSA-N 0 0 304.394 0.990 10 0 DCAERN CN(C)c1ncncc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000126402337 158264659 /nfs/dbraw/zinc/26/46/59/158264659.db2.gz XNMICNTUHVYUMF-UHFFFAOYSA-N 0 0 324.344 0.891 10 0 DCAERN CCNC(=O)C1CN(C(=O)CNC(=O)c2ccc(C)c(C)c2)C1 ZINC000126311300 158264768 /nfs/dbraw/zinc/26/47/68/158264768.db2.gz PNUPQYDSNPSOEN-UHFFFAOYSA-N 0 0 317.389 0.628 10 0 DCAERN C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127422856 158273264 /nfs/dbraw/zinc/27/32/64/158273264.db2.gz DPJNGNSVPZWQNG-SWLSCSKDSA-N 0 0 305.378 0.828 10 0 DCAERN C[C@H](O)CNC(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000127604683 158274892 /nfs/dbraw/zinc/27/48/92/158274892.db2.gz AGBHFPWQXCHBPC-VIFPVBQESA-N 0 0 300.355 0.994 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1cccc2ncccc21 ZINC000129014156 158285338 /nfs/dbraw/zinc/28/53/38/158285338.db2.gz JVZAIGXEGRCQTR-CYBMUJFWSA-N 0 0 315.373 0.658 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCO)cn2)C[C@H](C)O1 ZINC000129574946 158289589 /nfs/dbraw/zinc/28/95/89/158289589.db2.gz WQZSSDAUKGYPBP-BETUJISGSA-N 0 0 322.409 0.829 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCCN(CC(F)F)CC1 ZINC000130585311 158295694 /nfs/dbraw/zinc/29/56/94/158295694.db2.gz PVDDMXHAHQGXIU-UHFFFAOYSA-N 0 0 314.336 0.537 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000130934877 158296985 /nfs/dbraw/zinc/29/69/85/158296985.db2.gz UZGXFJBWVJIWQY-MCIONIFRSA-N 0 0 306.387 0.682 10 0 DCAERN CCCC(=O)NCC(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000132008047 158307092 /nfs/dbraw/zinc/30/70/92/158307092.db2.gz APOJYLCUMGBLHI-UHFFFAOYSA-N 0 0 319.405 0.963 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000132066292 158308238 /nfs/dbraw/zinc/30/82/38/158308238.db2.gz IUGIIPMRJXVBFD-JBLDHEPKSA-N 0 0 307.350 0.558 10 0 DCAERN Cc1nc(CCNC(=O)NC[C@H]2CN(C)CCO2)sc1C ZINC000132421747 158310557 /nfs/dbraw/zinc/31/05/57/158310557.db2.gz XPRNAGKEUAEDLY-LBPRGKRZSA-N 0 0 312.439 0.932 10 0 DCAERN C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1 ZINC000132688384 158312915 /nfs/dbraw/zinc/31/29/15/158312915.db2.gz CZBICIXITBRNSZ-RYUDHWBXSA-N 0 0 322.413 0.610 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cnn(C)c1C)CC2 ZINC000133516253 158320547 /nfs/dbraw/zinc/32/05/47/158320547.db2.gz OVOWNWLTIPJKJH-LBPRGKRZSA-N 0 0 317.397 0.697 10 0 DCAERN CC(=O)NCCCNC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134619636 158328874 /nfs/dbraw/zinc/32/88/74/158328874.db2.gz NRINKDHYPGHVFZ-CQSZACIVSA-N 0 0 306.366 0.771 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N(C)C)C1 ZINC000135078665 158333738 /nfs/dbraw/zinc/33/37/38/158333738.db2.gz AZRDVRQANXYICX-ZDUSSCGKSA-N 0 0 319.409 0.958 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC(OCCO)CC2)C1 ZINC000135381829 158336172 /nfs/dbraw/zinc/33/61/72/158336172.db2.gz XMGXONBNYZXTGW-LBPRGKRZSA-N 0 0 306.428 0.436 10 0 DCAERN Cc1nc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(=O)[nH]c1C ZINC000137287837 158345650 /nfs/dbraw/zinc/34/56/50/158345650.db2.gz VYEADTFNBKTTLL-UHFFFAOYSA-N 0 0 324.344 0.897 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1cncc(Br)c1 ZINC000162948818 158361408 /nfs/dbraw/zinc/36/14/08/158361408.db2.gz HAJOYIWYJDBKAM-JTQLQIEISA-N 0 0 300.156 0.530 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)[C@@H](C)CO ZINC000167329718 158368479 /nfs/dbraw/zinc/36/84/79/158368479.db2.gz ACTCPTWYOIJICV-JGVFFNPUSA-N 0 0 319.379 0.978 10 0 DCAERN NC(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cn1 ZINC000170225463 158373709 /nfs/dbraw/zinc/37/37/09/158373709.db2.gz FUZYJMOLAFZPSN-LLVKDONJSA-N 0 0 313.313 0.750 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000170247649 158374668 /nfs/dbraw/zinc/37/46/68/158374668.db2.gz QPUJVLOSKBNNRP-QGZVFWFLSA-N 0 0 317.389 0.870 10 0 DCAERN Cc1noc(C2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)n1 ZINC000170924427 158378170 /nfs/dbraw/zinc/37/81/70/158378170.db2.gz QHMORBVCJBJZSM-CYBMUJFWSA-N 0 0 323.397 0.598 10 0 DCAERN COC(=O)NCCC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000170966494 158378491 /nfs/dbraw/zinc/37/84/91/158378491.db2.gz ZEEWUSZCKLTHJK-JTQLQIEISA-N 0 0 309.370 0.579 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000171183302 158380429 /nfs/dbraw/zinc/38/04/29/158380429.db2.gz SZSLAQANZJIITQ-KBPBESRZSA-N 0 0 324.421 0.947 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)Cc1cn3ccsc3n1)CC2 ZINC000171329066 158382365 /nfs/dbraw/zinc/38/23/65/158382365.db2.gz ZWOQFZSIWXUFIW-SNVBAGLBSA-N 0 0 316.390 0.969 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000171486898 158382948 /nfs/dbraw/zinc/38/29/48/158382948.db2.gz NWPBDNJJHALFDM-WCQYABFASA-N 0 0 307.394 0.515 10 0 DCAERN COCCN(CC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)C(N)=O ZINC000171577618 158384813 /nfs/dbraw/zinc/38/48/13/158384813.db2.gz GELBEEVTULMYLD-VIFPVBQESA-N 0 0 315.320 0.726 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171750295 158386848 /nfs/dbraw/zinc/38/68/48/158386848.db2.gz UHNZLICLHXLJPX-HIFRSBDPSA-N 0 0 305.378 0.859 10 0 DCAERN C[C@H](CNC(=O)N[C@H]1Cc2ccccc2[C@@H]1O)N1CCOCC1 ZINC000171751853 158386856 /nfs/dbraw/zinc/38/68/56/158386856.db2.gz WSWKQEJTBZVLBY-KCXAZCMYSA-N 0 0 319.405 0.665 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000171767857 158386863 /nfs/dbraw/zinc/38/68/63/158386863.db2.gz MKUBYFBYVKYZOD-QWHCGFSZSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000172009055 158389313 /nfs/dbraw/zinc/38/93/13/158389313.db2.gz NINNWWWZVIAMLP-SECBINFHSA-N 0 0 309.347 0.900 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000172005525 158389538 /nfs/dbraw/zinc/38/95/38/158389538.db2.gz WWXICONNIWOIJA-JSGCOSHPSA-N 0 0 317.389 0.932 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000172349225 158394268 /nfs/dbraw/zinc/39/42/68/158394268.db2.gz DATYBYHIDIGGON-GFCCVEGCSA-N 0 0 307.398 0.499 10 0 DCAERN CC[C@@H](NC(=O)NCCNS(=O)(=O)CC)c1nccs1 ZINC000172376805 158394311 /nfs/dbraw/zinc/39/43/11/158394311.db2.gz NGRIJHXMWJGDAE-SECBINFHSA-N 0 0 320.440 0.833 10 0 DCAERN COc1cc(CNC(=O)CNC(=O)c2ccccn2)ccn1 ZINC000172501996 158394960 /nfs/dbraw/zinc/39/49/60/158394960.db2.gz FDJMCPVKTMRKBP-UHFFFAOYSA-N 0 0 300.318 0.531 10 0 DCAERN COc1c(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(C)nn1C ZINC000172743003 158398779 /nfs/dbraw/zinc/39/87/79/158398779.db2.gz CNHBBBZMTVSEQX-GFCCVEGCSA-N 0 0 308.382 0.284 10 0 DCAERN Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172757173 158399972 /nfs/dbraw/zinc/39/99/72/158399972.db2.gz OALBGSNRACZZIE-CQSZACIVSA-N 0 0 306.410 0.513 10 0 DCAERN CO[C@H](C)c1cccc(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000173001673 158401639 /nfs/dbraw/zinc/40/16/39/158401639.db2.gz PTMJYFABYXOUFT-SECBINFHSA-N 0 0 303.322 0.723 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173474510 158406097 /nfs/dbraw/zinc/40/60/97/158406097.db2.gz SOORTLZUXZTDFP-SNVBAGLBSA-N 0 0 318.443 0.381 10 0 DCAERN COCCOCCC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173877802 158411721 /nfs/dbraw/zinc/41/17/21/158411721.db2.gz PQRFLEXUCCXRAP-ZIAGYGMSSA-N 0 0 300.399 0.219 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)n1 ZINC000174720863 158419917 /nfs/dbraw/zinc/41/99/17/158419917.db2.gz BSPIPMBNXXCELH-NOZJJQNGSA-N 0 0 315.333 0.527 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000174819474 158421107 /nfs/dbraw/zinc/42/11/07/158421107.db2.gz MYBAEXRWWIQDQH-GFCCVEGCSA-N 0 0 311.426 0.866 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(n2cncn2)CC1 ZINC000176691723 158440223 /nfs/dbraw/zinc/44/02/23/158440223.db2.gz COPPUSKBUDEPTO-JTQLQIEISA-N 0 0 300.384 0.122 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)CC2CCCC2)C1 ZINC000178342843 158457534 /nfs/dbraw/zinc/45/75/34/158457534.db2.gz OMODGSNRWCWXRW-LLVKDONJSA-N 0 0 310.441 0.130 10 0 DCAERN O=C(CN1CCN(C(=O)CO)CC1)Nc1cc(F)cc(F)c1 ZINC000179546663 158473362 /nfs/dbraw/zinc/47/33/62/158473362.db2.gz VYZWQIQJVXNMEA-UHFFFAOYSA-N 0 0 313.304 0.040 10 0 DCAERN CCc1nn(C)cc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180324992 158477893 /nfs/dbraw/zinc/47/78/93/158477893.db2.gz UFVNBKNGAHSIQN-SWLSCSKDSA-N 0 0 306.410 0.775 10 0 DCAERN CC(C)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000183351406 158498627 /nfs/dbraw/zinc/49/86/27/158498627.db2.gz YSTFCAZJQFZJGS-CYBMUJFWSA-N 0 0 312.391 0.685 10 0 DCAERN CC1(Cn2cc(C(=O)N[C@@H]3CCCC[C@H]3CO)nn2)COC1 ZINC000183945921 158503254 /nfs/dbraw/zinc/50/32/54/158503254.db2.gz LHFSZNBBKGLEOR-NWDGAFQWSA-N 0 0 308.382 0.596 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184362529 158507318 /nfs/dbraw/zinc/50/73/18/158507318.db2.gz FZMRVWIFMNFGBO-UHFFFAOYSA-N 0 0 324.406 0.633 10 0 DCAERN CNC(=O)CC(=O)NC1CCN(c2ccccc2OC)CC1 ZINC000184329994 158507843 /nfs/dbraw/zinc/50/78/43/158507843.db2.gz HXALALSOWAKDFN-UHFFFAOYSA-N 0 0 305.378 0.916 10 0 DCAERN COCCCCS(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000185015730 158513184 /nfs/dbraw/zinc/51/31/84/158513184.db2.gz CMGIMMWLLMBZDJ-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N(C)c3nncs3)cc12 ZINC000184972869 158513263 /nfs/dbraw/zinc/51/32/63/158513263.db2.gz CHVVRLWLKWWBCZ-UHFFFAOYSA-N 0 0 324.391 0.953 10 0 DCAERN C/C=C/C[C@@H](CO)NC(=O)NCc1cccnc1-n1cncn1 ZINC000185571896 158522015 /nfs/dbraw/zinc/52/20/15/158522015.db2.gz VAZRKLGUJXWXQR-IBUXWKBASA-N 0 0 316.365 0.789 10 0 DCAERN O=C(NC1CN(S(=O)(=O)N2CCCCCC2)C1)C1CCC1 ZINC000186186074 158527553 /nfs/dbraw/zinc/52/75/53/158527553.db2.gz FHAYUVUBQKADOL-UHFFFAOYSA-N 0 0 315.439 0.708 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)N2CC(NC(C)=O)C2)c1 ZINC000188566062 158545865 /nfs/dbraw/zinc/54/58/65/158545865.db2.gz UHFUWQUFRRWBLA-UHFFFAOYSA-N 0 0 310.375 0.788 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000189137484 158550535 /nfs/dbraw/zinc/55/05/35/158550535.db2.gz ZGQYXUOVJUIVFX-WDBKCZKBSA-N 0 0 324.352 0.691 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCNC(=O)C(C)C)CC2)n[nH]1 ZINC000189647124 158554654 /nfs/dbraw/zinc/55/46/54/158554654.db2.gz QBXGGNNFCCZHIC-UHFFFAOYSA-N 0 0 322.413 0.322 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189950050 158557145 /nfs/dbraw/zinc/55/71/45/158557145.db2.gz GDFGWVYSOWAEHN-UHFFFAOYSA-N 0 0 311.411 0.865 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCOCC(F)F ZINC000190636232 158562107 /nfs/dbraw/zinc/56/21/07/158562107.db2.gz CUMNQQKZONIRQY-UHFFFAOYSA-N 0 0 304.297 0.630 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@]3(O)CCSC3)CC2)[nH]1 ZINC000191595849 158569456 /nfs/dbraw/zinc/56/94/56/158569456.db2.gz DYVPTMWHYKOMRY-AWEZNQCLSA-N 0 0 310.423 0.941 10 0 DCAERN CO[C@@H](C)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000191642099 158569699 /nfs/dbraw/zinc/56/96/99/158569699.db2.gz YJRSTHBWCRVQGZ-VIFPVBQESA-N 0 0 304.306 0.826 10 0 DCAERN CN1CCCN(Cc2cn(Cc3cccnc3)nn2)CC1=O ZINC000191667032 158569733 /nfs/dbraw/zinc/56/97/33/158569733.db2.gz OUEYBVVTORODDY-UHFFFAOYSA-N 0 0 300.366 0.386 10 0 DCAERN O=C(CN1CCCCCCC1=O)NCCCN1CCCC1=O ZINC000193002988 158579354 /nfs/dbraw/zinc/57/93/54/158579354.db2.gz CPUYZXZOHLFRJY-UHFFFAOYSA-N 0 0 309.410 0.908 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000195274807 158608553 /nfs/dbraw/zinc/60/85/53/158608553.db2.gz YBSISBUZZIIFJX-LLVKDONJSA-N 0 0 301.412 0.964 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC[C@H]1C ZINC000248732844 158697529 /nfs/dbraw/zinc/69/75/29/158697529.db2.gz QIHRYRIYJPZISX-MNOVXSKESA-N 0 0 313.427 0.994 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[C@H]1CO ZINC000248912553 158700208 /nfs/dbraw/zinc/70/02/08/158700208.db2.gz JGACHXRPOJAFKG-YGRLFVJLSA-N 0 0 324.402 0.364 10 0 DCAERN CCO[C@H]1C[C@H]1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262760289 158839635 /nfs/dbraw/zinc/83/96/35/158839635.db2.gz ZNAVCMGEHMLCLR-PQAZSJQKSA-N 0 0 310.394 0.855 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@H](CO)C3)C2)cn1 ZINC000304375409 158985635 /nfs/dbraw/zinc/98/56/35/158985635.db2.gz GGQHAOXBNDLLQX-STQMWFEESA-N 0 0 307.398 0.413 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)CO ZINC000305698632 158991538 /nfs/dbraw/zinc/99/15/38/158991538.db2.gz OYTZBLNRFGEMLL-AAEUAGOBSA-N 0 0 301.412 0.866 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611243 159014478 /nfs/dbraw/zinc/01/44/78/159014478.db2.gz OIBIVCZDEJFYEZ-LSDHHAIUSA-N 0 0 319.409 0.359 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]1 ZINC000328662183 159018727 /nfs/dbraw/zinc/01/87/27/159018727.db2.gz ALKGAYNDKASBDF-SECBINFHSA-N 0 0 306.326 0.559 10 0 DCAERN CN(CC(=O)N1CCOCC1)c1cc(NCC2CC2)ncn1 ZINC000328694559 159022583 /nfs/dbraw/zinc/02/25/83/159022583.db2.gz KAZFLRRBUDBWSQ-UHFFFAOYSA-N 0 0 305.382 0.594 10 0 DCAERN C[C@@H](CC(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CCCCC1=O ZINC000328752993 159026420 /nfs/dbraw/zinc/02/64/20/159026420.db2.gz NNQCTTXJEUOXMA-NWDGAFQWSA-N 0 0 308.382 0.218 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CC[C@H]3CCOC3)C[C@@H]21 ZINC000328838851 159033468 /nfs/dbraw/zinc/03/34/68/159033468.db2.gz NPEHLJYNCSPWAQ-HZSPNIEDSA-N 0 0 318.439 0.148 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328891283 159037729 /nfs/dbraw/zinc/03/77/29/159037729.db2.gz SFXFCUFORNGGPJ-KBPBESRZSA-N 0 0 317.455 0.368 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328902331 159038986 /nfs/dbraw/zinc/03/89/86/159038986.db2.gz GMIFDRURNZNTRI-JKSUJKDBSA-N 0 0 320.437 0.901 10 0 DCAERN Cc1noc([C@H]2CCN(CC(=O)N3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000328950833 159046101 /nfs/dbraw/zinc/04/61/01/159046101.db2.gz CKCBOUFCMTVXJM-RYUDHWBXSA-N 0 0 321.381 0.941 10 0 DCAERN Cc1noc([C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CCN2C)n1 ZINC000328961786 159046945 /nfs/dbraw/zinc/04/69/45/159046945.db2.gz QTADBGIKQGRMDZ-OLZOCXBDSA-N 0 0 305.382 0.430 10 0 DCAERN CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)[C@H]1CCN(C)C1=O ZINC000329054362 159055838 /nfs/dbraw/zinc/05/58/38/159055838.db2.gz HUFPWCSCEUEJSK-IHRRRGAJSA-N 0 0 309.410 0.319 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000329143108 159066836 /nfs/dbraw/zinc/06/68/36/159066836.db2.gz VKAWBFPYUSYMBI-XJKSGUPXSA-N 0 0 320.393 0.109 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCCn2nnnc21 ZINC000329198073 159072476 /nfs/dbraw/zinc/07/24/76/159072476.db2.gz VNESEVGRCJIYQO-ZJUUUORDSA-N 0 0 324.410 0.357 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329277164 159078468 /nfs/dbraw/zinc/07/84/68/159078468.db2.gz JFDUIYGDXBSWFL-IACUBPJLSA-N 0 0 306.366 0.445 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCC[C@H]2c2noc(C)n2)CC1=O ZINC000329282798 159079474 /nfs/dbraw/zinc/07/94/74/159079474.db2.gz KYQLPJAUJPMTSA-NEPJUHHUSA-N 0 0 322.365 0.536 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@]2(CCOC2)O1 ZINC000329352438 159084699 /nfs/dbraw/zinc/08/46/99/159084699.db2.gz UOBKPFOIGUXKKQ-ABAIWWIYSA-N 0 0 302.334 0.749 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000329394116 159088968 /nfs/dbraw/zinc/08/89/68/159088968.db2.gz VBFIUGYYRTXZFG-NSHDSACASA-N 0 0 313.423 0.377 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccnc3n[nH]nc32)C[C@@H](C)S1(=O)=O ZINC000329432776 159092085 /nfs/dbraw/zinc/09/20/85/159092085.db2.gz IEYVABOSKPKJNU-BDAKNGLRSA-N 0 0 323.378 0.391 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000329434072 159092093 /nfs/dbraw/zinc/09/20/93/159092093.db2.gz LGZSTEDOLPUUPJ-WOPDTQHZSA-N 0 0 305.396 0.216 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000329437810 159092178 /nfs/dbraw/zinc/09/21/78/159092178.db2.gz JMVGGACEDPEJQB-ZDUSSCGKSA-N 0 0 318.377 0.104 10 0 DCAERN CC1(C)CN(S(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)CCO1 ZINC000329492284 159096963 /nfs/dbraw/zinc/09/69/63/159096963.db2.gz TWRLPQKNGWAIPB-NSHDSACASA-N 0 0 314.411 0.212 10 0 DCAERN CO[C@H]1CN(C(=O)c2cn(C3CC3)c(C)cc2=O)C[C@@H]1OC ZINC000329534077 159099758 /nfs/dbraw/zinc/09/97/58/159099758.db2.gz YMXWXACNGHPEND-GJZGRUSLSA-N 0 0 306.362 0.977 10 0 DCAERN CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3nc(C)no3)[C@H]2C1 ZINC000329552503 159102019 /nfs/dbraw/zinc/10/20/19/159102019.db2.gz PPBOULMPAZODSL-QWHCGFSZSA-N 0 0 308.382 0.632 10 0 DCAERN Cn1nnc(CSCC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000329611845 159106623 /nfs/dbraw/zinc/10/66/23/159106623.db2.gz CIIZYKNYCCGEKZ-QWRGUYRKSA-N 0 0 311.411 0.613 10 0 DCAERN COCCN1CCCN(C(=O)c2cnn3ccncc23)CC1=O ZINC000329632122 159108408 /nfs/dbraw/zinc/10/84/08/159108408.db2.gz IMJPORRGUBQKCV-UHFFFAOYSA-N 0 0 317.349 0.050 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329723001 159114152 /nfs/dbraw/zinc/11/41/52/159114152.db2.gz CPIWDEYEJCKPAM-NJZAAPMLSA-N 0 0 313.357 0.626 10 0 DCAERN O=C(Cc1cncnc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329729808 159115035 /nfs/dbraw/zinc/11/50/35/159115035.db2.gz PILYBTHMTHZFTE-AWEZNQCLSA-N 0 0 304.394 0.590 10 0 DCAERN C[C@H](Sc1nncn1C)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000329744311 159116171 /nfs/dbraw/zinc/11/61/71/159116171.db2.gz XSVTWLKUEHJDJA-UWVGGRQHSA-N 0 0 321.410 0.724 10 0 DCAERN O=C(CN1CCOCC1=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000329830921 159122358 /nfs/dbraw/zinc/12/23/58/159122358.db2.gz FIXFUMDSPBEJLC-CQSZACIVSA-N 0 0 310.394 0.795 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CCO[C@@H](C3CC3)C2)c(=O)c1 ZINC000329880853 159126078 /nfs/dbraw/zinc/12/60/78/159126078.db2.gz NXFNZNZRQLHLKA-PBHICJAKSA-N 0 0 320.389 0.545 10 0 DCAERN Cn1ccnc1[C@@H]1CN(Cc2nnc(C3CC3)n2C)CCN1C ZINC000329895163 159126389 /nfs/dbraw/zinc/12/63/89/159126389.db2.gz BRXVRXCIXRBLHC-ZDUSSCGKSA-N 0 0 315.425 0.915 10 0 DCAERN Cc1nc(C[C@H]2CCCN(C(=O)C3(O)CCOCC3)C2)no1 ZINC000330007674 159135563 /nfs/dbraw/zinc/13/55/63/159135563.db2.gz GABYVWQDHVKXDS-GFCCVEGCSA-N 0 0 309.366 0.701 10 0 DCAERN C[C@H](C(=O)N1CC[C@@H](Oc2ccccn2)C1)N1CCOCC1 ZINC000330067509 159139738 /nfs/dbraw/zinc/13/97/38/159139738.db2.gz UMOOKPLERUFRPL-ZIAGYGMSSA-N 0 0 305.378 0.782 10 0 DCAERN O=C(C[S@](=O)[C@@H]1CCOC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000330153398 159146422 /nfs/dbraw/zinc/14/64/22/159146422.db2.gz XEDVFIGBWPBEBV-ZUWLOFHESA-N 0 0 301.408 0.694 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NC[C@@H](O)C1CC1 ZINC000330202717 159149770 /nfs/dbraw/zinc/14/97/70/159149770.db2.gz ZQVXFWYMTDBLMI-UONOGXRCSA-N 0 0 318.439 0.468 10 0 DCAERN Cc1ccc(N2CCC(NS(=O)(=O)C3COC3)CC2)nc1 ZINC000330219558 159151308 /nfs/dbraw/zinc/15/13/08/159151308.db2.gz PONZPRFVLPSECD-UHFFFAOYSA-N 0 0 311.407 0.677 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000330233332 159152518 /nfs/dbraw/zinc/15/25/18/159152518.db2.gz XVAGPUPILMJQGY-JTQLQIEISA-N 0 0 313.379 0.855 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000330325027 159159890 /nfs/dbraw/zinc/15/98/90/159159890.db2.gz IYNTUIKEYSZOBI-HZNYWTHISA-N 0 0 318.464 0.525 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)N2CCOCC2)C1 ZINC000330346478 159161512 /nfs/dbraw/zinc/16/15/12/159161512.db2.gz GPUMXWOMKVJGLR-KGYLQXTDSA-N 0 0 324.381 0.387 10 0 DCAERN COC[C@@H]1CN(Cc2nnnn2CC(F)(F)F)CC(C)(C)O1 ZINC000330516334 159184540 /nfs/dbraw/zinc/18/45/40/159184540.db2.gz FEWMFIWKSDIVIM-VIFPVBQESA-N 0 0 323.319 0.861 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332751424 159212384 /nfs/dbraw/zinc/21/23/84/159212384.db2.gz AARCCQJCFVHNRM-SFDCQRBFSA-N 0 0 320.389 0.845 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCO[C@H]2C2CC2)CC1=O ZINC000332754437 159212767 /nfs/dbraw/zinc/21/27/67/159212767.db2.gz KJBUHFOOPXJCOW-PYISLEMLSA-N 0 0 307.394 0.862 10 0 DCAERN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C(=O)N1CCCC[C@@H]1C ZINC000332846482 159215478 /nfs/dbraw/zinc/21/54/78/159215478.db2.gz HLLTYNMZZNLKJM-BTFPBAQTSA-N 0 0 324.421 0.944 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N[C@H]2CCO[C@H](C)C2)nn1 ZINC000332907159 159216279 /nfs/dbraw/zinc/21/62/79/159216279.db2.gz VVDBVBJOGPZRLT-LYIQGSDWSA-N 0 0 310.354 0.162 10 0 DCAERN COCc1nc(C(=O)NCCCc2nnc3ccccn32)no1 ZINC000359278707 159261538 /nfs/dbraw/zinc/26/15/38/159261538.db2.gz SOJRIWFRSCOBSQ-UHFFFAOYSA-N 0 0 316.321 0.621 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NCCc2cn[nH]c2)no1 ZINC000360296118 159265686 /nfs/dbraw/zinc/26/56/86/159265686.db2.gz LYMUFHIRCABBDD-VIFPVBQESA-N 0 0 308.342 0.932 10 0 DCAERN COc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)on1 ZINC000367241593 159324414 /nfs/dbraw/zinc/32/44/14/159324414.db2.gz YTLFTFSAKXHCDV-ZWNOBZJWSA-N 0 0 310.350 0.981 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccnc(OC2CCC2)c1 ZINC000367546108 159344108 /nfs/dbraw/zinc/34/41/08/159344108.db2.gz CHMVLPKVHREJBJ-LBPRGKRZSA-N 0 0 305.334 0.339 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000368048432 159371585 /nfs/dbraw/zinc/37/15/85/159371585.db2.gz QNGISXNYBKZJGC-UTUOFQBUSA-N 0 0 303.428 0.155 10 0 DCAERN CC(C)OCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000368218355 159382248 /nfs/dbraw/zinc/38/22/48/159382248.db2.gz FXTPXOUKNVNDCV-ZDUSSCGKSA-N 0 0 313.398 0.491 10 0 DCAERN CN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000369149763 159439223 /nfs/dbraw/zinc/43/92/23/159439223.db2.gz QMLMDBAEAQIRMY-CQSZACIVSA-N 0 0 302.378 0.749 10 0 DCAERN NC(=O)c1cccc(OCCC(=O)N2CC(n3ccnn3)C2)c1 ZINC000369270829 159446448 /nfs/dbraw/zinc/44/64/48/159446448.db2.gz MSJLHCCPCBTYRS-UHFFFAOYSA-N 0 0 315.333 0.229 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCN1C ZINC000370174636 159502233 /nfs/dbraw/zinc/50/22/33/159502233.db2.gz QEOQLMGHOJAPGH-QWHCGFSZSA-N 0 0 307.398 0.597 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)O1 ZINC000371550023 159573651 /nfs/dbraw/zinc/57/36/51/159573651.db2.gz BSMFLTZSYNZUIM-WUHRBBMRSA-N 0 0 311.382 0.195 10 0 DCAERN Cc1ccc2ncc(C(=O)N3C[C@H](F)C[C@@H]3CO)c(=O)n2c1 ZINC000372503337 159628171 /nfs/dbraw/zinc/62/81/71/159628171.db2.gz JGTWTUCEPCSQQW-GHMZBOCLSA-N 0 0 305.309 0.548 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000373762353 159697773 /nfs/dbraw/zinc/69/77/73/159697773.db2.gz GWJJNJQXLCIGGK-MRVPVSSYSA-N 0 0 304.272 0.639 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)Nc1cc(F)ccc1F ZINC000375243649 159779646 /nfs/dbraw/zinc/77/96/46/159779646.db2.gz ZZFYKUFBQNQKQQ-LBPRGKRZSA-N 0 0 311.332 0.920 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCN(c3nccnc3C)CC2)n1 ZINC000376571333 159865023 /nfs/dbraw/zinc/86/50/23/159865023.db2.gz PJIIMARUBWFCKB-UHFFFAOYSA-N 0 0 314.393 0.947 10 0 DCAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407972946 160000035 /nfs/dbraw/zinc/00/00/35/160000035.db2.gz WLVWQVNDCNRZGD-ZETCQYMHSA-N 0 0 304.306 0.540 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000407974704 160000678 /nfs/dbraw/zinc/00/06/78/160000678.db2.gz URIAUIDKBYOAFK-ZDUSSCGKSA-N 0 0 317.455 0.954 10 0 DCAERN COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000407988075 160003282 /nfs/dbraw/zinc/00/32/82/160003282.db2.gz GBEZCVHFLMEELH-ZIAGYGMSSA-N 0 0 311.426 0.424 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CC2 ZINC000407992388 160005064 /nfs/dbraw/zinc/00/50/64/160005064.db2.gz SDKBJEJAFINMMG-RYUDHWBXSA-N 0 0 319.409 0.530 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000407997583 160007158 /nfs/dbraw/zinc/00/71/58/160007158.db2.gz PJERJHNSHQHEEX-LLVKDONJSA-N 0 0 305.444 0.715 10 0 DCAERN CNC(=O)C1CCC(NC(=O)N2CCC[C@H](NC(C)=O)C2)CC1 ZINC000408004935 160008579 /nfs/dbraw/zinc/00/85/79/160008579.db2.gz PXWQEIJWTNGIKM-RUXDESIVSA-N 0 0 324.425 0.601 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408004052 160008595 /nfs/dbraw/zinc/00/85/95/160008595.db2.gz LBWZXBNFIWNEPX-HZSPNIEDSA-N 0 0 309.410 0.923 10 0 DCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000408007771 160009593 /nfs/dbraw/zinc/00/95/93/160009593.db2.gz KJDDGIFFXVUKPJ-ZDUSSCGKSA-N 0 0 303.428 0.564 10 0 DCAERN CCCN(CC(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408007421 160009619 /nfs/dbraw/zinc/00/96/19/160009619.db2.gz CULFWEXKEAHBSX-GFCCVEGCSA-N 0 0 305.444 0.763 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000408011876 160010696 /nfs/dbraw/zinc/01/06/96/160010696.db2.gz VYGQWGDJSWZXDF-SDDRHHMPSA-N 0 0 300.424 0.775 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cn1 ZINC000408011799 160010749 /nfs/dbraw/zinc/01/07/49/160010749.db2.gz ZZHLBHUHTBAFEA-HNNXBMFYSA-N 0 0 304.350 0.214 10 0 DCAERN CN(C(=O)N[C@@H]1CCCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC000408015281 160011100 /nfs/dbraw/zinc/01/11/00/160011100.db2.gz AXSLDJQDWJPTQT-QJPTWQEYSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000408014339 160011118 /nfs/dbraw/zinc/01/11/18/160011118.db2.gz MNEMYAJCQSYLEJ-CMPLNLGQSA-N 0 0 300.366 0.865 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 ZINC000408017987 160012712 /nfs/dbraw/zinc/01/27/12/160012712.db2.gz WXUDACPXDVLGCP-TZMCWYRMSA-N 0 0 308.403 0.996 10 0 DCAERN CN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H](CO)C(C)(C)C ZINC000408018175 160013420 /nfs/dbraw/zinc/01/34/20/160013420.db2.gz PXEAVPBUKAULBB-WDEREUQCSA-N 0 0 306.428 0.564 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408022179 160014018 /nfs/dbraw/zinc/01/40/18/160014018.db2.gz KPJALNHZOVRLAF-ZIAGYGMSSA-N 0 0 321.377 0.249 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408029282 160015865 /nfs/dbraw/zinc/01/58/65/160015865.db2.gz HLLNXGNREQPXIR-RYUDHWBXSA-N 0 0 309.366 0.488 10 0 DCAERN Cc1nc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c(C)s1 ZINC000408032017 160016875 /nfs/dbraw/zinc/01/68/75/160016875.db2.gz YWKFATVZTJMMRJ-UHFFFAOYSA-N 0 0 322.390 0.916 10 0 DCAERN CN(C)S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000408030960 160017038 /nfs/dbraw/zinc/01/70/38/160017038.db2.gz JPDJDYLYZRLEKN-WCQYABFASA-N 0 0 315.443 0.199 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)N(C)C1 ZINC000408035618 160018308 /nfs/dbraw/zinc/01/83/08/160018308.db2.gz NCMXGBWOXBOJTO-MQYQWHSLSA-N 0 0 311.426 0.611 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000408035100 160018816 /nfs/dbraw/zinc/01/88/16/160018816.db2.gz JSVREYCBJLDBPO-CYBMUJFWSA-N 0 0 312.410 0.897 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[C@@H](CCO)C1 ZINC000408038685 160019345 /nfs/dbraw/zinc/01/93/45/160019345.db2.gz OWAYAUXEYHOBHW-RWMBFGLXSA-N 0 0 308.378 0.393 10 0 DCAERN CC(C)(C)n1nnnc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408040563 160019715 /nfs/dbraw/zinc/01/97/15/160019715.db2.gz CEFWNRPOQZVSLI-UPJWGTAASA-N 0 0 309.414 0.790 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3COCC[C@H]32)co1 ZINC000408038661 160019842 /nfs/dbraw/zinc/01/98/42/160019842.db2.gz ONNBKHIHEBUZTD-GXSJLCMTSA-N 0 0 314.363 0.568 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000408042365 160020470 /nfs/dbraw/zinc/02/04/70/160020470.db2.gz KSWZLWFKSUKUOR-NJMOYASZSA-N 0 0 322.409 0.210 10 0 DCAERN C[C@H]1OCCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H]1C(N)=O ZINC000408044601 160021809 /nfs/dbraw/zinc/02/18/09/160021809.db2.gz AKVNFXLPLTVGQK-JLNYLFASSA-N 0 0 311.426 0.598 10 0 DCAERN CCOC[C@H]1CCCN(C(=O)[C@@]2(O)CCCN(C(C)=O)C2)C1 ZINC000408049641 160022375 /nfs/dbraw/zinc/02/23/75/160022375.db2.gz CJXGIVCJLNILPR-GOEBONIOSA-N 0 0 312.410 0.635 10 0 DCAERN CCc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)[nH]n1 ZINC000408049909 160023427 /nfs/dbraw/zinc/02/34/27/160023427.db2.gz BDNYNWHRBXQTQO-MFKMUULPSA-N 0 0 324.356 0.384 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@H]1C(N)=O ZINC000408054940 160024169 /nfs/dbraw/zinc/02/41/69/160024169.db2.gz PXVNCOWRVHGCJX-XAVMHZPKSA-N 0 0 321.299 0.023 10 0 DCAERN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NC1(CO)CC1)C2=O ZINC000408058029 160025123 /nfs/dbraw/zinc/02/51/23/160025123.db2.gz DTGCNJUMMJFRHX-QWRGUYRKSA-N 0 0 323.393 0.374 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000408055059 160025360 /nfs/dbraw/zinc/02/53/60/160025360.db2.gz QERGIPXXXIGXIH-BLLLJJGKSA-N 0 0 312.410 0.822 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000408064463 160026411 /nfs/dbraw/zinc/02/64/11/160026411.db2.gz VBZVUTXFOWECRU-XBFCOCLRSA-N 0 0 310.394 0.386 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCOCC1 ZINC000408063920 160026524 /nfs/dbraw/zinc/02/65/24/160026524.db2.gz JXGKXHCPFFVCQL-LXTVHRRPSA-N 0 0 312.410 0.096 10 0 DCAERN C[C@]1(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)CCCO1 ZINC000408067893 160027586 /nfs/dbraw/zinc/02/75/86/160027586.db2.gz FTEBLUODWDIBLR-OAHLLOKOSA-N 0 0 321.381 0.297 10 0 DCAERN Cn1c2ccc(CN3CC[C@H]4[C@@H](C3)NC(=O)N4C)cc2oc1=O ZINC000408071742 160029285 /nfs/dbraw/zinc/02/92/85/160029285.db2.gz LFUKIJYEIDTOSI-NEPJUHHUSA-N 0 0 316.361 0.729 10 0 DCAERN CC[C@@]1(C)COCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408085073 160032660 /nfs/dbraw/zinc/03/26/60/160032660.db2.gz WJSVBEKOWJGIRW-NSHDSACASA-N 0 0 313.441 0.252 10 0 DCAERN CC[C@H](NC(=O)N1CC[C@H](C)[C@H](O)C1)C(=O)N1CCOCC1 ZINC000408091408 160033482 /nfs/dbraw/zinc/03/34/82/160033482.db2.gz HLJDNMYYJFRWBP-RWMBFGLXSA-N 0 0 313.398 0.036 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)C[C@H]1O ZINC000408089795 160033770 /nfs/dbraw/zinc/03/37/70/160033770.db2.gz AKNWQIOXOQIUSA-GZMMTYOYSA-N 0 0 316.354 0.316 10 0 DCAERN C[C@@H]1CCN(C(=O)Cc2nn(C)c(=O)c3ccccc32)C[C@@H]1O ZINC000408092594 160034033 /nfs/dbraw/zinc/03/40/33/160034033.db2.gz LJIUNMCREFIWLE-ABAIWWIYSA-N 0 0 315.373 0.705 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C[C@@H]1O ZINC000408093451 160034377 /nfs/dbraw/zinc/03/43/77/160034377.db2.gz VSHKLWGNTLWJRX-RDBSUJKOSA-N 0 0 319.409 0.858 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCC(CO)CC3)cnc12 ZINC000408097567 160034892 /nfs/dbraw/zinc/03/48/92/160034892.db2.gz OIMQAFXVUWWIAH-UHFFFAOYSA-N 0 0 301.346 0.847 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)CCO1 ZINC000408095523 160035293 /nfs/dbraw/zinc/03/52/93/160035293.db2.gz OAIIOEHZGADFPN-MNOVXSKESA-N 0 0 311.382 0.637 10 0 DCAERN C[C@@H]1SCCN(C(=O)c2ccnc(S(C)(=O)=O)n2)[C@H]1C ZINC000408108391 160037366 /nfs/dbraw/zinc/03/73/66/160037366.db2.gz UTCZDFNAMXISIG-IUCAKERBSA-N 0 0 315.420 0.846 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H]2C)c1 ZINC000408111618 160037762 /nfs/dbraw/zinc/03/77/62/160037762.db2.gz DKNQALMHWSIHRY-NSHDSACASA-N 0 0 311.407 0.371 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)CC(=O)N(C)C ZINC000408115928 160039412 /nfs/dbraw/zinc/03/94/12/160039412.db2.gz MWEGAECYJZFNCY-TXEJJXNPSA-N 0 0 311.426 0.959 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000408117217 160039517 /nfs/dbraw/zinc/03/95/17/160039517.db2.gz ZDCILCYBGCDRHS-DRZSPHRISA-N 0 0 310.375 0.177 10 0 DCAERN NC(=O)C1CCC(NS(=O)(=O)C[C@H]2CCCCO2)CC1 ZINC000408122096 160041147 /nfs/dbraw/zinc/04/11/47/160041147.db2.gz UFJCPYNSDRVQHG-HTAVTVPLSA-N 0 0 304.412 0.519 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCSC[C@@H]1CCO ZINC000408127010 160042751 /nfs/dbraw/zinc/04/27/51/160042751.db2.gz UMRLBYAFPCSWOJ-WDEREUQCSA-N 0 0 304.437 0.234 10 0 DCAERN CC(C)C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CO)C2)CCO1 ZINC000408130777 160043462 /nfs/dbraw/zinc/04/34/62/160043462.db2.gz FHBRWKRCHPFELR-MGPQQGTHSA-N 0 0 300.399 0.983 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000408136406 160044853 /nfs/dbraw/zinc/04/48/53/160044853.db2.gz DMMKENROBJVTKB-SDDRHHMPSA-N 0 0 300.424 0.917 10 0 DCAERN C[C@@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1CO ZINC000408136159 160045068 /nfs/dbraw/zinc/04/50/68/160045068.db2.gz BMKGNVRQZOBNLU-YPMHNXCESA-N 0 0 318.439 0.277 10 0 DCAERN COc1cnc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 ZINC000408140056 160045730 /nfs/dbraw/zinc/04/57/30/160045730.db2.gz IMAJHWQWIUOFAP-SSDOTTSWSA-N 0 0 320.396 0.307 10 0 DCAERN CC(C)[C@@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000408141744 160047044 /nfs/dbraw/zinc/04/70/44/160047044.db2.gz NOHSQWKZLNVXGK-LBPRGKRZSA-N 0 0 319.365 0.013 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)c(C)o1 ZINC000408145745 160047497 /nfs/dbraw/zinc/04/74/97/160047497.db2.gz KOQPESXRLFXVOF-SNVBAGLBSA-N 0 0 322.408 0.338 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000408151191 160048489 /nfs/dbraw/zinc/04/84/89/160048489.db2.gz UAEXMDRYZWNDJE-SGMGOOAPSA-N 0 0 309.410 0.903 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000408153031 160049052 /nfs/dbraw/zinc/04/90/52/160049052.db2.gz HSMDTVWPVSKTFU-SNVBAGLBSA-N 0 0 304.372 0.338 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000408160730 160049756 /nfs/dbraw/zinc/04/97/56/160049756.db2.gz XEGWVKANOQRNES-GRYCIOLGSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCC[C@H]2CS(N)(=O)=O)s1 ZINC000408164482 160051074 /nfs/dbraw/zinc/05/10/74/160051074.db2.gz IDXGINHYKFRYMX-VIFPVBQESA-N 0 0 303.409 0.653 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408182014 160054155 /nfs/dbraw/zinc/05/41/55/160054155.db2.gz HQEQIIFJOHIKTP-MZJFNTNISA-N 0 0 301.412 0.065 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2cc(F)ccc2C1 ZINC000408185480 160055105 /nfs/dbraw/zinc/05/51/05/160055105.db2.gz CULKJCDEZKVDQQ-UHFFFAOYSA-N 0 0 300.355 0.602 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000408187607 160055160 /nfs/dbraw/zinc/05/51/60/160055160.db2.gz OVLNLTYMHMSJCP-FPMFFAJLSA-N 0 0 324.402 0.438 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2ccc(F)cc2C1 ZINC000408188533 160055805 /nfs/dbraw/zinc/05/58/05/160055805.db2.gz TVFUTLOJHRLUDL-UHFFFAOYSA-N 0 0 300.355 0.602 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000408191268 160056943 /nfs/dbraw/zinc/05/69/43/160056943.db2.gz GHYUQOSITNOSFY-NSHDSACASA-N 0 0 319.361 0.878 10 0 DCAERN CC[C@H](O)CN1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC000408191593 160056990 /nfs/dbraw/zinc/05/69/90/160056990.db2.gz HAKSGZDLCSJTCV-RDBSUJKOSA-N 0 0 320.455 0.272 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000408192717 160056995 /nfs/dbraw/zinc/05/69/95/160056995.db2.gz OKPJRRZKHFUNKT-IGQOVBAYSA-N 0 0 320.455 0.271 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408197061 160057611 /nfs/dbraw/zinc/05/76/11/160057611.db2.gz FXLZRJQPOKKCRC-VHSXEESVSA-N 0 0 307.316 0.608 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](C)C3)CC2)c1 ZINC000408200520 160058372 /nfs/dbraw/zinc/05/83/72/160058372.db2.gz CQYLHZOYXJMTID-UONOGXRCSA-N 0 0 316.405 0.953 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000408202916 160059268 /nfs/dbraw/zinc/05/92/68/160059268.db2.gz JXGZGZSLQTZDEJ-MGPQQGTHSA-N 0 0 321.421 0.762 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCS(=O)(=O)[C@H](C)C2)cnn1C ZINC000408204040 160059443 /nfs/dbraw/zinc/05/94/43/160059443.db2.gz SQXHKDHPXKQJHD-ZJUUUORDSA-N 0 0 314.411 0.618 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC(=O)N1 ZINC000408206243 160060198 /nfs/dbraw/zinc/06/01/98/160060198.db2.gz SYHBLBVSRTVOPW-AGIUHOORSA-N 0 0 319.409 0.420 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000408207796 160060209 /nfs/dbraw/zinc/06/02/09/160060209.db2.gz YACDIQSZCFSDLC-UPJWGTAASA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000408205869 160060241 /nfs/dbraw/zinc/06/02/41/160060241.db2.gz LUDHQWLXCSJYLA-CHWSQXEVSA-N 0 0 310.398 0.165 10 0 DCAERN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[S@@]1=O ZINC000408211074 160060801 /nfs/dbraw/zinc/06/08/01/160060801.db2.gz MOYDSRMRPYOIDP-SBKAZYGRSA-N 0 0 301.412 0.160 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000408217640 160062176 /nfs/dbraw/zinc/06/21/76/160062176.db2.gz FRXVEIVWIRNGEY-GHMZBOCLSA-N 0 0 301.412 0.838 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)N2CC(=O)N(C3CC3)C2)CC1 ZINC000408224070 160062984 /nfs/dbraw/zinc/06/29/84/160062984.db2.gz MZZHVOVGRRQFQV-UHFFFAOYSA-N 0 0 322.409 0.607 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000408230144 160064854 /nfs/dbraw/zinc/06/48/54/160064854.db2.gz CNFOYLOTDYJJEY-SNVBAGLBSA-N 0 0 310.375 0.305 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408231531 160064861 /nfs/dbraw/zinc/06/48/61/160064861.db2.gz NNLPASZWUABDFM-SCZZXKLOSA-N 0 0 310.366 0.818 10 0 DCAERN Cc1ccncc1N1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000408230670 160065016 /nfs/dbraw/zinc/06/50/16/160065016.db2.gz CLEDLNBBRMTOMT-UHFFFAOYSA-N 0 0 321.406 0.634 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1CCC[C@@H]1O ZINC000408234853 160065349 /nfs/dbraw/zinc/06/53/49/160065349.db2.gz IAIOZVDPYDJAOH-NDBYEHHHSA-N 0 0 308.378 0.439 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)s1 ZINC000408235896 160066229 /nfs/dbraw/zinc/06/62/29/160066229.db2.gz GRVFPTNHNIETBZ-IUCAKERBSA-N 0 0 305.425 0.895 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408237267 160066276 /nfs/dbraw/zinc/06/62/76/160066276.db2.gz RXZSACNUSJLQJC-AVGNSLFASA-N 0 0 318.439 0.876 10 0 DCAERN C[C@H]1C[C@H]1N1C[C@H](NS(=O)(=O)N2CCC(C)CC2)CC1=O ZINC000408239148 160066842 /nfs/dbraw/zinc/06/68/42/160066842.db2.gz VRVCXLGYSYKQTR-YNEHKIRRSA-N 0 0 315.439 0.562 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248639 160069050 /nfs/dbraw/zinc/06/90/50/160069050.db2.gz WMIVDYAUCDOUPR-CXAGYDPISA-N 0 0 321.421 0.906 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408247368 160069086 /nfs/dbraw/zinc/06/90/86/160069086.db2.gz UUYORCYENCSBGJ-HNNXBMFYSA-N 0 0 311.382 0.497 10 0 DCAERN CCN(CC)C(=O)N1CCC(C(=O)N2CC(NC(C)=O)C2)CC1 ZINC000408260742 160071332 /nfs/dbraw/zinc/07/13/32/160071332.db2.gz XNTXXTUFMIPVRU-UHFFFAOYSA-N 0 0 324.425 0.507 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408260069 160071365 /nfs/dbraw/zinc/07/13/65/160071365.db2.gz CQCPOHVXOWBCPJ-UTUOFQBUSA-N 0 0 318.377 0.731 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)c(=O)c1 ZINC000408264312 160072266 /nfs/dbraw/zinc/07/22/66/160072266.db2.gz JFXNSPDPCRXQRD-WWGRRREGSA-N 0 0 308.378 0.137 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408273621 160073829 /nfs/dbraw/zinc/07/38/29/160073829.db2.gz FILUWTWWRJVSKU-UTUOFQBUSA-N 0 0 304.412 0.471 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCN1C ZINC000408278914 160075157 /nfs/dbraw/zinc/07/51/57/160075157.db2.gz ZWKCHRBLDWUEHB-XJKSGUPXSA-N 0 0 321.425 0.987 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408290299 160077351 /nfs/dbraw/zinc/07/73/51/160077351.db2.gz IMXADWGEHAKPEK-GHJWDPDVSA-N 0 0 308.378 0.137 10 0 DCAERN CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000408290077 160077355 /nfs/dbraw/zinc/07/73/55/160077355.db2.gz MENJYIFUDWRGFD-CABCVRRESA-N 0 0 317.389 0.543 10 0 DCAERN CCCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C(C)=O)C2)CC1 ZINC000408290574 160077628 /nfs/dbraw/zinc/07/76/28/160077628.db2.gz KFRDTUVSXBLUFB-AWEZNQCLSA-N 0 0 324.425 0.555 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000408289154 160077851 /nfs/dbraw/zinc/07/78/51/160077851.db2.gz DEADITBZOKBJBV-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000408301329 160080162 /nfs/dbraw/zinc/08/01/62/160080162.db2.gz RLQRCZXAAMYOCE-UPJWGTAASA-N 0 0 324.425 0.600 10 0 DCAERN CC(C)[C@H](NC(=O)[C@H]1CCSC1)C(=O)N1CCOCC1 ZINC000408305852 160081550 /nfs/dbraw/zinc/08/15/50/160081550.db2.gz NPTFALJXULIACC-RYUDHWBXSA-N 0 0 300.424 0.739 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)N1CCOCC1 ZINC000408306304 160081711 /nfs/dbraw/zinc/08/17/11/160081711.db2.gz PPRXNTODCGFTOV-JQWIXIFHSA-N 0 0 310.316 0.623 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)[C@@H]1OC ZINC000408313658 160083399 /nfs/dbraw/zinc/08/33/99/160083399.db2.gz LIBCHOASXIJXMI-SJHCENCUSA-N 0 0 322.427 0.122 10 0 DCAERN O=C(NC1CCN(c2ccccn2)CC1)C1(O)CCOCC1 ZINC000408313555 160083434 /nfs/dbraw/zinc/08/34/34/160083434.db2.gz KEVISMDZHQQCMS-UHFFFAOYSA-N 0 0 305.378 0.708 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)C1=CCOCC1 ZINC000408317202 160083803 /nfs/dbraw/zinc/08/38/03/160083803.db2.gz FXNFTRNHADZETP-NEPJUHHUSA-N 0 0 302.396 0.310 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)CC(=O)N1 ZINC000408318227 160084010 /nfs/dbraw/zinc/08/40/10/160084010.db2.gz INFCRXWVWNVSSJ-XDQVBPFNSA-N 0 0 311.426 0.205 10 0 DCAERN O=S(=O)(NC1CCCC1)C1CN(C[C@@H](O)C(F)(F)F)C1 ZINC000408332091 160086949 /nfs/dbraw/zinc/08/69/49/160086949.db2.gz QDXSWVBPDILMAI-SNVBAGLBSA-N 0 0 316.345 0.456 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)CC1CC1 ZINC000408331955 160086993 /nfs/dbraw/zinc/08/69/93/160086993.db2.gz PLYRMFDNIUMJOX-NSHDSACASA-N 0 0 310.441 0.130 10 0 DCAERN CC(C)(CC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000408334208 160087011 /nfs/dbraw/zinc/08/70/11/160087011.db2.gz MLZREELSBRBFMI-SSDOTTSWSA-N 0 0 302.318 0.854 10 0 DCAERN C[C@@H](NS(=O)(=O)CC1CCCC1)C(=O)N1CCOCC1 ZINC000408335791 160087665 /nfs/dbraw/zinc/08/76/65/160087665.db2.gz JXEYGLMKVCTIJF-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@]2(C)CCCO2)C1=O ZINC000408343388 160088949 /nfs/dbraw/zinc/08/89/49/160088949.db2.gz PFXVEJYSGYVNIC-XHDPSFHLSA-N 0 0 306.366 0.601 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000408359550 160091456 /nfs/dbraw/zinc/09/14/56/160091456.db2.gz UZRKIKIQSMMZRS-LLVKDONJSA-N 0 0 302.400 0.877 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ccccc3O)CC2)CCCNC1=O ZINC000408370491 160093879 /nfs/dbraw/zinc/09/38/79/160093879.db2.gz LUBQQRHGACUNCI-KRWDZBQOSA-N 0 0 317.389 0.957 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CCC(=O)N2)CCS1(=O)=O ZINC000408378445 160095267 /nfs/dbraw/zinc/09/52/67/160095267.db2.gz VNWGGJPGBCWINN-JTQLQIEISA-N 0 0 302.396 0.081 10 0 DCAERN CC[C@@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408379054 160095334 /nfs/dbraw/zinc/09/53/34/160095334.db2.gz IOHLKPGETQUQFK-CYBMUJFWSA-N 0 0 305.444 0.152 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](O)C2(C)C)c1 ZINC000408376339 160095343 /nfs/dbraw/zinc/09/53/43/160095343.db2.gz MZUVCLGNVAOGLO-GFCCVEGCSA-N 0 0 312.391 0.628 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NC1CCOCC1 ZINC000408385381 160096640 /nfs/dbraw/zinc/09/66/40/160096640.db2.gz LNDHCPJKEITKHK-NWDGAFQWSA-N 0 0 319.427 0.325 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000408385052 160096877 /nfs/dbraw/zinc/09/68/77/160096877.db2.gz IFMLWMVROPPQOH-GFCCVEGCSA-N 0 0 315.443 0.295 10 0 DCAERN CCCCN(C)S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408390305 160098241 /nfs/dbraw/zinc/09/82/41/160098241.db2.gz UDTUNXYQFMVBMK-WDEREUQCSA-N 0 0 318.399 0.462 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000408393185 160099181 /nfs/dbraw/zinc/09/91/81/160099181.db2.gz FCVGBYSHWNZVOC-NWDGAFQWSA-N 0 0 304.412 0.342 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000408394816 160099523 /nfs/dbraw/zinc/09/95/23/160099523.db2.gz OYOVLYZVPUJOOT-GFCCVEGCSA-N 0 0 314.411 0.365 10 0 DCAERN CC(C)N(C)C(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408401090 160101325 /nfs/dbraw/zinc/10/13/25/160101325.db2.gz AYYJLSIMGUYDAG-ZDUSSCGKSA-N 0 0 317.455 0.353 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC000408403873 160101360 /nfs/dbraw/zinc/10/13/60/160101360.db2.gz DJGZLHXBRBITOH-MGCOHNPYSA-N 0 0 308.338 0.305 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1O ZINC000408410130 160102565 /nfs/dbraw/zinc/10/25/65/160102565.db2.gz JWETYSVUKSWOBG-SECBINFHSA-N 0 0 311.359 0.854 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCCN2CCCC2=O)CC[S@]1=O ZINC000408409084 160102832 /nfs/dbraw/zinc/10/28/32/160102832.db2.gz SWXZMZWHXNGXQJ-XUSGNXJCSA-N 0 0 315.439 0.551 10 0 DCAERN CN1C[C@@H](NC(=O)NCC2([S@@](C)=O)CCC2)CCC1=O ZINC000408418015 160104194 /nfs/dbraw/zinc/10/41/94/160104194.db2.gz YJVBAMBCQNZLNE-WVDJIFEKSA-N 0 0 301.412 0.208 10 0 DCAERN COCn1nccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408420847 160104372 /nfs/dbraw/zinc/10/43/72/160104372.db2.gz AWRIIFZDPWWQJS-NWDGAFQWSA-N 0 0 315.395 0.819 10 0 DCAERN CC[C@H](NC(=O)N1CCCSCC1)C(=O)N1CCOCC1 ZINC000408420044 160104448 /nfs/dbraw/zinc/10/44/48/160104448.db2.gz RANABHJXWQJKLT-LBPRGKRZSA-N 0 0 315.439 0.772 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](C)[C@@H]3CO)cnc12 ZINC000408427023 160106038 /nfs/dbraw/zinc/10/60/38/160106038.db2.gz MGWKEVTVBWQWOI-MFKMUULPSA-N 0 0 301.346 0.846 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(CC(F)F)CC1 ZINC000408427765 160106274 /nfs/dbraw/zinc/10/62/74/160106274.db2.gz RETBKJQCWWQBTF-UWVGGRQHSA-N 0 0 304.341 0.246 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000408454912 160111665 /nfs/dbraw/zinc/11/16/65/160111665.db2.gz WOPMUNCYFZRVLZ-QJPTWQEYSA-N 0 0 303.428 0.515 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1C[C@@H](O)C1)C2=O ZINC000408468243 160114099 /nfs/dbraw/zinc/11/40/99/160114099.db2.gz PWDPSNLXZJEERH-HTJOTKDVSA-N 0 0 309.366 0.127 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000408466105 160114713 /nfs/dbraw/zinc/11/47/13/160114713.db2.gz IJIFLYUJPGHFFH-MGPQQGTHSA-N 0 0 312.410 0.632 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](CO)[C@@H]1CC ZINC000408471305 160115691 /nfs/dbraw/zinc/11/56/91/160115691.db2.gz WUVKOBOKOZHAQP-GRYCIOLGSA-N 0 0 300.424 0.917 10 0 DCAERN CC(=O)NCCCNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000047666559 286887859 /nfs/dbraw/zinc/88/78/59/286887859.db2.gz TWAOQPDEUXQFAQ-NSHDSACASA-N 0 0 306.366 0.839 10 0 DCAERN Cc1ccc2[nH]cc(CCC(=O)NCCS(N)(=O)=O)c2c1 ZINC000080655114 286926825 /nfs/dbraw/zinc/92/68/25/286926825.db2.gz AEEXWRSDMKMPEO-UHFFFAOYSA-N 0 0 309.391 0.814 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000120996390 286953633 /nfs/dbraw/zinc/95/36/33/286953633.db2.gz WLZBPRCHCOWIOU-LBPRGKRZSA-N 0 0 306.366 0.869 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)NC[C@H](C)N1CCOCC1 ZINC000129294514 286987345 /nfs/dbraw/zinc/98/73/45/286987345.db2.gz QOOWGXJXFXTRTO-ZDUSSCGKSA-N 0 0 320.455 0.284 10 0 DCAERN CCC[C@@H]1CN([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CCO1 ZINC000131932725 287002862 /nfs/dbraw/zinc/00/28/62/287002862.db2.gz MNPMYVTZODKGTJ-GXTWGEPZSA-N 0 0 311.426 0.613 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000132359477 287005354 /nfs/dbraw/zinc/00/53/54/287005354.db2.gz UQBWLRASJXNONW-WDEREUQCSA-N 0 0 318.377 0.816 10 0 DCAERN COC[C@@H](O)CCNC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000133925683 287014236 /nfs/dbraw/zinc/01/42/36/287014236.db2.gz HBBHAQILYVQOCJ-MFKMUULPSA-N 0 0 312.414 0.665 10 0 DCAERN CC[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000136015028 287025235 /nfs/dbraw/zinc/02/52/35/287025235.db2.gz QDDKZPKZEMEIJH-LLVKDONJSA-N 0 0 315.337 0.405 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CN(C)CC(C)(CO)CO ZINC000135958519 287025270 /nfs/dbraw/zinc/02/52/70/287025270.db2.gz STJROXOGLPXJDX-UHFFFAOYSA-N 0 0 308.422 0.958 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCC(=O)N[C@@H](C)CC ZINC000151750948 287036155 /nfs/dbraw/zinc/03/61/55/287036155.db2.gz CSISWPBBXLYIII-NSHDSACASA-N 0 0 323.397 0.653 10 0 DCAERN Cc1ccn(-c2ccccc2CNC(=O)CCNC(N)=O)n1 ZINC000151939027 287037123 /nfs/dbraw/zinc/03/71/23/287037123.db2.gz PEPFYGHFHGTONS-UHFFFAOYSA-N 0 0 301.350 0.855 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000152204169 287039813 /nfs/dbraw/zinc/03/98/13/287039813.db2.gz QCXHYTMHOIXLLJ-SNVBAGLBSA-N 0 0 315.285 0.170 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000177132760 287053964 /nfs/dbraw/zinc/05/39/64/287053964.db2.gz LFSLTJVFKHRVHI-SNVBAGLBSA-N 0 0 309.332 0.998 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H]1Cn1ccnc1)N1CCCC1 ZINC000177377913 287054959 /nfs/dbraw/zinc/05/49/59/287054959.db2.gz HQJXQDFKBGCRPN-CYBMUJFWSA-N 0 0 305.382 0.680 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000235739493 287065350 /nfs/dbraw/zinc/06/53/50/287065350.db2.gz XGUYDSKIZGGFPI-SNVBAGLBSA-N 0 0 304.799 0.915 10 0 DCAERN Cc1nc(SCC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n[nH]1 ZINC000245443048 287069192 /nfs/dbraw/zinc/06/91/92/287069192.db2.gz WVVZXLXXYKDVCL-UWVGGRQHSA-N 0 0 313.427 0.119 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000245998520 287075099 /nfs/dbraw/zinc/07/50/99/287075099.db2.gz IDRYPZZYZWFABH-VXGBXAGGSA-N 0 0 318.443 0.357 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246209003 287079349 /nfs/dbraw/zinc/07/93/49/287079349.db2.gz PDZGEAHEERPWDW-IUCAKERBSA-N 0 0 303.302 0.352 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246196582 287078843 /nfs/dbraw/zinc/07/88/43/287078843.db2.gz LPKNDJVGVAPDOL-IYYTYJHQSA-N 0 0 310.300 0.735 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246563704 287085315 /nfs/dbraw/zinc/08/53/15/287085315.db2.gz FDHIIQSWCHGDSX-RVMXOQNASA-N 0 0 306.428 0.576 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000246593760 287085994 /nfs/dbraw/zinc/08/59/94/287085994.db2.gz GVKHBFUVVARSAA-RVMXOQNASA-N 0 0 306.428 0.576 10 0 DCAERN CC(C)COC[C@H](O)CNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000247292836 287092711 /nfs/dbraw/zinc/09/27/11/287092711.db2.gz HJPXCSDDPUOQLI-UONOGXRCSA-N 0 0 324.425 0.883 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247274192 287092398 /nfs/dbraw/zinc/09/23/98/287092398.db2.gz ZQOYUKGENOTKGW-KGLIPLIRSA-N 0 0 319.471 0.616 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248915046 287103630 /nfs/dbraw/zinc/10/36/30/287103630.db2.gz JTDKPRWZSPBDIC-YIZRAAEISA-N 0 0 303.302 0.493 10 0 DCAERN CC[C@]1(C)CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000248959873 287104300 /nfs/dbraw/zinc/10/43/00/287104300.db2.gz QTZQTTMCNAMDIE-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN O=C([C@H]1COCCN1CC(F)F)N1CCC[C@](F)(CO)C1 ZINC000376420737 304458483 /nfs/dbraw/zinc/45/84/83/304458483.db2.gz LINLTVAMFIXWRZ-ZWNOBZJWSA-N 0 0 310.316 0.275 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@@H]1C ZINC000248737279 287100828 /nfs/dbraw/zinc/10/08/28/287100828.db2.gz NVVLWBPSYBZTHJ-QWRGUYRKSA-N 0 0 324.356 0.073 10 0 DCAERN Cc1ccccc1CCNC(=O)CN1CCN(CCO)[C@@H](C)C1 ZINC000249579966 287114700 /nfs/dbraw/zinc/11/47/00/287114700.db2.gz QQNYSKNEJSGHDA-INIZCTEOSA-N 0 0 319.449 0.652 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC000249856726 287118436 /nfs/dbraw/zinc/11/84/36/287118436.db2.gz QGZVXBZUNWWSGZ-FVCCEPFGSA-N 0 0 306.428 0.697 10 0 DCAERN CCn1c(N)c(C(=O)CN2CC[C@@H](C)[C@@H](OC)C2)c(=O)[nH]c1=O ZINC000253586653 287121399 /nfs/dbraw/zinc/12/13/99/287121399.db2.gz OUBJNIPKRMHLHH-KOLCDFICSA-N 0 0 324.381 0.091 10 0 DCAERN C[C@@H]1CN(C(=O)/C=C\c2cncc(O)c2)C[C@H]1N1CCOCC1 ZINC000255673773 287126335 /nfs/dbraw/zinc/12/63/35/287126335.db2.gz HVVSNXYFOJPSQA-UGQNZJGRSA-N 0 0 317.389 0.980 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)NC[C@H](CO)C2CC2)c1 ZINC000358307634 287206290 /nfs/dbraw/zinc/20/62/90/287206290.db2.gz IOQPCQVQHAQTAP-SECBINFHSA-N 0 0 318.420 0.405 10 0 DCAERN COC[C@@H](CNC(=O)N1CCCN(c2cccnn2)CC1)OC ZINC000358391414 287208031 /nfs/dbraw/zinc/20/80/31/287208031.db2.gz YONYEOSNSNQVTA-CYBMUJFWSA-N 0 0 323.397 0.360 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCn2cccc2)C1 ZINC000358606531 287211727 /nfs/dbraw/zinc/21/17/27/287211727.db2.gz IRBJSAXQENWMTK-CYBMUJFWSA-N 0 0 320.393 0.122 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)OCC ZINC000250285856 685184711 /nfs/dbraw/zinc/18/47/11/685184711.db2.gz ZSWDTAJXEFONLT-MNOVXSKESA-N 0 0 320.411 0.258 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408355631 287233908 /nfs/dbraw/zinc/23/39/08/287233908.db2.gz SYMXOZNQTYNIIX-GFCCVEGCSA-N 0 0 322.427 0.079 10 0 DCAERN O=S1(=O)CC[C@@H](N2CCN(Cc3cncs3)CC2)C1 ZINC000408060131 287232875 /nfs/dbraw/zinc/23/28/75/287232875.db2.gz CWQFLDJVDCSQHN-LLVKDONJSA-N 0 0 301.437 0.448 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000251573052 685185485 /nfs/dbraw/zinc/18/54/85/685185485.db2.gz DNCJFJGHGVWKHK-NEPJUHHUSA-N 0 0 304.412 0.704 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)no1 ZINC000408061000 287233124 /nfs/dbraw/zinc/23/31/24/287233124.db2.gz VFRVVPRYRPWIHD-MNOVXSKESA-N 0 0 309.322 0.006 10 0 DCAERN COC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)CC(C)(C)O1 ZINC000408061266 287233162 /nfs/dbraw/zinc/23/31/62/287233162.db2.gz VSYCHACUMUZOBK-JTQLQIEISA-N 0 0 305.396 0.216 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC(CO)C2)no1 ZINC000612420985 412401245 /nfs/dbraw/zinc/40/12/45/412401245.db2.gz BBDHSBCLTYBQTB-SECBINFHSA-N 0 0 313.379 0.494 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCN3C)C2=O)n(C)n1 ZINC000266315144 415138794 /nfs/dbraw/zinc/13/87/94/415138794.db2.gz FJYZEZFMFNDOKV-QWHCGFSZSA-N 0 0 319.409 0.434 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)no1 ZINC000268142015 415164931 /nfs/dbraw/zinc/16/49/31/415164931.db2.gz COEOAIBESPKSDR-RYUDHWBXSA-N 0 0 313.379 0.556 10 0 DCAERN C[NH+](C)CCn1ccnc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000033866252 415186945 /nfs/dbraw/zinc/18/69/45/415186945.db2.gz POYHLULQLFYWOX-UHFFFAOYSA-N 0 0 309.395 0.828 10 0 DCAERN C[C@@H](C(=O)NCc1nccn1C)N1C(=O)c2ccccc2C1=O ZINC000041539224 415202891 /nfs/dbraw/zinc/20/28/91/415202891.db2.gz RNCIAEFIFOFVNJ-JTQLQIEISA-N 0 0 312.329 0.721 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000045680632 415250012 /nfs/dbraw/zinc/25/00/12/415250012.db2.gz JOTBUNOCRJMCJP-UHFFFAOYSA-N 0 0 317.349 0.681 10 0 DCAERN Cn1cc(S(=O)(=O)NCC(=O)NCCC2CCCC2)cn1 ZINC000047079212 415266868 /nfs/dbraw/zinc/26/68/68/415266868.db2.gz KNRQSKABQGXSJY-UHFFFAOYSA-N 0 0 314.411 0.395 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)C2(C)COC2)CC1 ZINC000273120497 415319855 /nfs/dbraw/zinc/31/98/55/415319855.db2.gz XXWNAHXUTTVGPB-UHFFFAOYSA-N 0 0 306.410 0.718 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1N1CCOCC1)C1CC1 ZINC000054845631 415328565 /nfs/dbraw/zinc/32/85/65/415328565.db2.gz BFZIXXINONJSLT-LLVKDONJSA-N 0 0 318.377 0.771 10 0 DCAERN Cc1occc1CN(C)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000055473764 415332821 /nfs/dbraw/zinc/33/28/21/415332821.db2.gz BWECCOKMKUOROJ-UHFFFAOYSA-N 0 0 315.333 0.690 10 0 DCAERN COC(=O)C1(C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000274304805 415350117 /nfs/dbraw/zinc/35/01/17/415350117.db2.gz CZTJWPSWODLJNZ-UHFFFAOYSA-N 0 0 320.349 0.087 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](O)C2CC2)cc1 ZINC000070303168 415405614 /nfs/dbraw/zinc/40/56/14/415405614.db2.gz YNUPQTGLMCTHNC-ZDUSSCGKSA-N 0 0 313.375 0.451 10 0 DCAERN Cc1n[nH]cc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000070286554 415406236 /nfs/dbraw/zinc/40/62/36/415406236.db2.gz JHAUHFFFPRERBN-MRVPVSSYSA-N 0 0 308.363 0.857 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275988520 415406404 /nfs/dbraw/zinc/40/64/04/415406404.db2.gz ORPJEGSDJPYMCT-CYBMUJFWSA-N 0 0 319.409 0.891 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000066530435 415362952 /nfs/dbraw/zinc/36/29/52/415362952.db2.gz FFUABSPOBXVGRK-UHFFFAOYSA-N 0 0 321.333 0.906 10 0 DCAERN CN(C)c1nnc(S(=O)(=O)CC(=O)NC(C)(C)C)s1 ZINC000066717549 415365525 /nfs/dbraw/zinc/36/55/25/415365525.db2.gz XJHKQGJGOCCUAJ-UHFFFAOYSA-N 0 0 306.413 0.293 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1nn(C)cc1Br ZINC000352927470 415372258 /nfs/dbraw/zinc/37/22/58/415372258.db2.gz XSCOMHULXGMGRZ-SVRRBLITSA-N 0 0 315.171 0.580 10 0 DCAERN COc1ccc([C@H]2OCC[C@@H]2NC(=O)[C@H](C)n2cncn2)cn1 ZINC000275370212 415375140 /nfs/dbraw/zinc/37/51/40/415375140.db2.gz KUISTQMRKMPDSP-VHRBIJSZSA-N 0 0 317.349 0.889 10 0 DCAERN CC(C)Cc1ncc2c(n1)CN(C(=O)CN1CCOC1=O)C2 ZINC000067788286 415384174 /nfs/dbraw/zinc/38/41/74/415384174.db2.gz DWHLHMSPMANMRU-UHFFFAOYSA-N 0 0 304.350 0.970 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)c2cc3n(n2)CCN(C)C3)[nH]n1 ZINC000067833663 415386904 /nfs/dbraw/zinc/38/69/04/415386904.db2.gz MVVNNYZHBLAWIF-JTQLQIEISA-N 0 0 302.382 0.721 10 0 DCAERN CC[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)OC ZINC000084372656 415497378 /nfs/dbraw/zinc/49/73/78/415497378.db2.gz SYPQZCFGGJJVAI-CYBMUJFWSA-N 0 0 320.393 0.271 10 0 DCAERN c1cc(NCc2noc(C3CC3)n2)nc(N2CCOCC2)n1 ZINC000353295033 415498601 /nfs/dbraw/zinc/49/86/01/415498601.db2.gz UHWRFPVUQYHCGY-UHFFFAOYSA-N 0 0 302.338 1.186 10 0 DCAERN C[C@H]1CC[C@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000332674930 415435486 /nfs/dbraw/zinc/43/54/86/415435486.db2.gz BLDRYSWEVVYICQ-KBPBESRZSA-N 0 0 321.425 1.525 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC000075437876 415446494 /nfs/dbraw/zinc/44/64/94/415446494.db2.gz OSDVNWXNGSDPEJ-WCBMZHEXSA-N 0 0 316.427 0.022 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079414938 415470940 /nfs/dbraw/zinc/47/09/40/415470940.db2.gz RBAGAYLYHAHVQS-JTQLQIEISA-N 0 0 314.345 0.664 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000079414942 415472345 /nfs/dbraw/zinc/47/23/45/415472345.db2.gz RBAGAYLYHAHVQS-SNVBAGLBSA-N 0 0 314.345 0.664 10 0 DCAERN C[C@H]1CC(CNC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H](C)O1 ZINC000332783990 415473288 /nfs/dbraw/zinc/47/32/88/415473288.db2.gz MTWKAVLRPBCJHN-AUZPSNTRSA-N 0 0 323.397 0.721 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000087002347 415509499 /nfs/dbraw/zinc/50/94/99/415509499.db2.gz GYBHZEIIILWDRO-UHFFFAOYSA-N 0 0 311.426 0.962 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C)C(C)(C)C ZINC000087355442 415512291 /nfs/dbraw/zinc/51/22/91/415512291.db2.gz LEJOJRYYXUDXKB-NXEZZACHSA-N 0 0 316.427 0.638 10 0 DCAERN O=C(Cc1cncnc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000279271121 415516763 /nfs/dbraw/zinc/51/67/63/415516763.db2.gz VJVGWHBMDRIHCH-GFCCVEGCSA-N 0 0 306.391 0.543 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCC[C@H]2O)CC1 ZINC000089160518 415517354 /nfs/dbraw/zinc/51/73/54/415517354.db2.gz VGXHFWKSBLKKKP-CHWSQXEVSA-N 0 0 318.439 0.325 10 0 DCAERN CN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1cccnc1 ZINC000102903270 415601220 /nfs/dbraw/zinc/60/12/20/415601220.db2.gz NTDFPERADIPNSN-CYBMUJFWSA-N 0 0 306.366 0.632 10 0 DCAERN COC[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000103380731 415615752 /nfs/dbraw/zinc/61/57/52/415615752.db2.gz JFRZOERNYXEAGU-LLVKDONJSA-N 0 0 314.407 0.836 10 0 DCAERN COC1CCC(NC(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000333371355 415626184 /nfs/dbraw/zinc/62/61/84/415626184.db2.gz FQZAKTKXXVZCOL-IFWUJCSASA-N 0 0 309.370 0.475 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC(=O)N1C ZINC000286882914 415639047 /nfs/dbraw/zinc/63/90/47/415639047.db2.gz XUYIGYCKEIIORZ-LALPHHSUSA-N 0 0 320.393 0.577 10 0 DCAERN O=S(=O)(NC[C@H](CO)[C@H]1CCOC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333161857 415576799 /nfs/dbraw/zinc/57/67/99/415576799.db2.gz MATHVIZSWZHYRL-HTOAHKCRSA-N 0 0 303.424 0.739 10 0 DCAERN CN(CC(=O)N1CCOCC1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333183263 415579998 /nfs/dbraw/zinc/57/99/98/415579998.db2.gz QEMJLPDAUSQNKM-AGIUHOORSA-N 0 0 316.423 0.295 10 0 DCAERN Cc1ncc(CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000098039044 415591012 /nfs/dbraw/zinc/59/10/12/415591012.db2.gz OYVWFLLJWDFVFY-DTORHVGOSA-N 0 0 305.425 0.895 10 0 DCAERN C[C@H]1C[C@H](S(=O)(=O)N2CCN(C3CC3)C(=O)C2)CCO1 ZINC000333269094 415597921 /nfs/dbraw/zinc/59/79/21/415597921.db2.gz CENKURAEBVLTBX-CMPLNLGQSA-N 0 0 302.396 0.190 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)CCOCC3CC3)C[C@@H]21 ZINC000333470239 415659064 /nfs/dbraw/zinc/65/90/64/415659064.db2.gz NLAPPWYTPITIOQ-UONOGXRCSA-N 0 0 318.439 0.148 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N(C)C[C@H](C)c1nccs1 ZINC000333472933 415661231 /nfs/dbraw/zinc/66/12/31/415661231.db2.gz REFQAJUXIIVMDM-ZMLRMANQSA-N 0 0 311.407 0.687 10 0 DCAERN CN(CCS(C)(=O)=O)C(=O)c1ccc(-c2ncon2)cc1 ZINC000107246629 415661531 /nfs/dbraw/zinc/66/15/31/415661531.db2.gz AXVXETNYESJXLQ-UHFFFAOYSA-N 0 0 309.347 0.853 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CCNS(C)(=O)=O ZINC000107304833 415663952 /nfs/dbraw/zinc/66/39/52/415663952.db2.gz ZLFVTSSPKVEFIX-GFCCVEGCSA-N 0 0 300.428 0.723 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(CCNS(=O)(=O)CC)C1 ZINC000109327154 415681745 /nfs/dbraw/zinc/68/17/45/415681745.db2.gz OHNVLKSCNJZBHG-GFCCVEGCSA-N 0 0 315.443 0.417 10 0 DCAERN CC(C)(CNc1cncc(C(N)=O)n1)N1CCS(=O)CC1 ZINC000333718333 415721692 /nfs/dbraw/zinc/72/16/92/415721692.db2.gz NMAQPRFBQBGIBM-UHFFFAOYSA-N 0 0 311.411 0.615 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ccnn2C)C1)c1nc[nH]n1 ZINC000333754684 415731479 /nfs/dbraw/zinc/73/14/79/415731479.db2.gz UGYRZVVDRIEVPT-QWRGUYRKSA-N 0 0 318.385 0.567 10 0 DCAERN COCCCS(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112094129 415703831 /nfs/dbraw/zinc/70/38/31/415703831.db2.gz YZMPVQPASBQPTJ-CYBMUJFWSA-N 0 0 317.411 0.259 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@H]1COc2ccccc2O1 ZINC000112659209 415712335 /nfs/dbraw/zinc/71/23/35/415712335.db2.gz GYKFEIFTRDMIHT-GXFFZTMASA-N 0 0 300.318 0.549 10 0 DCAERN CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112663160 415714506 /nfs/dbraw/zinc/71/45/06/415714506.db2.gz YDZUMZXUXSFLAO-JTQLQIEISA-N 0 0 309.370 0.624 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000119245110 415739546 /nfs/dbraw/zinc/73/95/46/415739546.db2.gz SAQMDZIWIJVOFI-ZDEQEGDKSA-N 0 0 308.444 0.727 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000333838083 415747455 /nfs/dbraw/zinc/74/74/55/415747455.db2.gz MTACUBIMWHDNTQ-GARJFASQSA-N 0 0 313.423 0.281 10 0 DCAERN O=C1CNCCN1[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000333903963 415760560 /nfs/dbraw/zinc/76/05/60/415760560.db2.gz JHTVVAOMCGKPQA-ZDUSSCGKSA-N 0 0 301.394 0.755 10 0 DCAERN Cc1nccn1CCCCNC(=O)c1cc(C(N)=O)cn1C ZINC000120410215 415765154 /nfs/dbraw/zinc/76/51/54/415765154.db2.gz GJOHNKSRMVZSPL-UHFFFAOYSA-N 0 0 303.366 0.839 10 0 DCAERN CC(CO)(CO)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000120585226 415773604 /nfs/dbraw/zinc/77/36/04/415773604.db2.gz DYIJLJSMJDXMCE-ZETCQYMHSA-N 0 0 321.299 0.393 10 0 DCAERN O=C(NCCc1cc(F)ccc1F)NCC1(CO)COC1 ZINC000123120422 415839543 /nfs/dbraw/zinc/83/95/43/415839543.db2.gz FZBFOSZNOHTQNG-UHFFFAOYSA-N 0 0 300.305 0.815 10 0 DCAERN CCOCCOCC(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000123714245 415841622 /nfs/dbraw/zinc/84/16/22/415841622.db2.gz CRPLFGITKYQWGK-UHFFFAOYSA-N 0 0 305.338 0.962 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000120631490 415778933 /nfs/dbraw/zinc/77/89/33/415778933.db2.gz AEGZOIBDGFBCBA-ZDUSSCGKSA-N 0 0 312.391 0.268 10 0 DCAERN COc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1F ZINC000121189939 415797743 /nfs/dbraw/zinc/79/77/43/415797743.db2.gz OBAIBHOTZPVUSU-MRVPVSSYSA-N 0 0 314.288 0.895 10 0 DCAERN CCCCOC[C@@H](O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000336833523 415825923 /nfs/dbraw/zinc/82/59/23/415825923.db2.gz OKAKMUQDNNZEEP-AWEZNQCLSA-N 0 0 307.456 0.921 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](NCc1nccn1C)C(F)(F)F ZINC000336834313 415826961 /nfs/dbraw/zinc/82/69/61/415826961.db2.gz HUCMUVCADKDGHK-QMMMGPOBSA-N 0 0 314.333 0.332 10 0 DCAERN CN(C(=O)[C@@]1(C)CCCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000126933364 415882316 /nfs/dbraw/zinc/88/23/16/415882316.db2.gz XTVCMCLGJVUGMN-CYBMUJFWSA-N 0 0 304.412 0.438 10 0 DCAERN CN(C(=O)[C@]1(C)CCCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000126933547 415882434 /nfs/dbraw/zinc/88/24/34/415882434.db2.gz XTVCMCLGJVUGMN-ZDUSSCGKSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000127234255 415886088 /nfs/dbraw/zinc/88/60/88/415886088.db2.gz REXUJALSQINQQQ-DGCLKSJQSA-N 0 0 306.362 0.884 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000337035477 415894056 /nfs/dbraw/zinc/89/40/56/415894056.db2.gz GZNIPAJPVLVNGF-JTQLQIEISA-N 0 0 310.375 0.740 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000128640209 415901531 /nfs/dbraw/zinc/90/15/31/415901531.db2.gz VLSHWPAHLYASGH-CHWSQXEVSA-N 0 0 324.425 0.555 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCN1CC(F)F ZINC000125096829 415859579 /nfs/dbraw/zinc/85/95/79/415859579.db2.gz BXZLPXCRNJLNDE-SECBINFHSA-N 0 0 300.309 0.571 10 0 DCAERN COCCCCS(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000134026482 415953930 /nfs/dbraw/zinc/95/39/30/415953930.db2.gz DAWAWHAXRXUKPP-AWEZNQCLSA-N 0 0 314.407 0.733 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)N3CCN(C)C(=O)C3)CC2=O)cc1 ZINC000152841540 415971200 /nfs/dbraw/zinc/97/12/00/415971200.db2.gz VHABFNYJXGFECH-CYBMUJFWSA-N 0 0 315.373 0.649 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000153079581 415974568 /nfs/dbraw/zinc/97/45/68/415974568.db2.gz FGJHONRJRQRZHG-LBPRGKRZSA-N 0 0 312.753 0.604 10 0 DCAERN Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)cn1 ZINC000153376492 415980850 /nfs/dbraw/zinc/98/08/50/415980850.db2.gz YNNCXHPJUIPZJY-GFCCVEGCSA-N 0 0 312.329 0.716 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)NCCNC(=O)c1ccccc1F ZINC000153956765 415989699 /nfs/dbraw/zinc/98/96/99/415989699.db2.gz OCCKSADCYVSZHA-MNOVXSKESA-N 0 0 311.357 0.872 10 0 DCAERN C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)[C@H](C)CO ZINC000153956508 415989948 /nfs/dbraw/zinc/98/99/48/415989948.db2.gz OCCKSADCYVSZHA-GHMZBOCLSA-N 0 0 311.357 0.872 10 0 DCAERN CCN(CC)C(=O)CCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000154926527 415990846 /nfs/dbraw/zinc/99/08/46/415990846.db2.gz PGQZMAIUKIHICV-CQSZACIVSA-N 0 0 311.426 0.614 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H]2CCCn3nc(COC)nc32)CC1=O ZINC000155118246 415992927 /nfs/dbraw/zinc/99/29/27/415992927.db2.gz RYXVOPBXKOCEOQ-MNOVXSKESA-N 0 0 321.381 0.244 10 0 DCAERN COC(=O)CCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155206147 415994722 /nfs/dbraw/zinc/99/47/22/415994722.db2.gz NZDMVANTURSOSH-NSHDSACASA-N 0 0 323.397 0.969 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986812 416041526 /nfs/dbraw/zinc/04/15/26/416041526.db2.gz ZPUPWTMQIZGZMO-BBRMVZONSA-N 0 0 317.389 0.801 10 0 DCAERN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CNC(=O)C1 ZINC000171815574 416042418 /nfs/dbraw/zinc/04/24/18/416042418.db2.gz HMSAHANBDLHWHO-KBPBESRZSA-N 0 0 318.373 0.755 10 0 DCAERN NS(=O)(=O)CCCNC(=O)c1coc(Br)c1 ZINC000299040563 416047235 /nfs/dbraw/zinc/04/72/35/416047235.db2.gz WBXOVCRKAFXKRA-UHFFFAOYSA-N 0 0 311.157 0.451 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)c1cn(CC(N)=O)nn1 ZINC000172959032 416050256 /nfs/dbraw/zinc/05/02/56/416050256.db2.gz SVJGFBPTZYVKTQ-LLVKDONJSA-N 0 0 317.349 0.099 10 0 DCAERN Cn1cc(NC(=O)c2ccc3ccccc3n2)c(=O)n(C)c1=O ZINC000173083519 416052880 /nfs/dbraw/zinc/05/28/80/416052880.db2.gz WKEUASJPNXLMHJ-UHFFFAOYSA-N 0 0 310.313 0.885 10 0 DCAERN COc1ccc([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000173116828 416054780 /nfs/dbraw/zinc/05/47/80/416054780.db2.gz URVBQFWGKPTCOX-QMMMGPOBSA-N 0 0 321.312 0.402 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCO)ncn1 ZINC000173422196 416059203 /nfs/dbraw/zinc/05/92/03/416059203.db2.gz RZLSTYOJZNFQQI-LLVKDONJSA-N 0 0 308.386 0.169 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC2CCOCC2)[C@@H](C)C1 ZINC000357296437 416059269 /nfs/dbraw/zinc/05/92/69/416059269.db2.gz BVYSFZDMLGKMOO-JSGCOSHPSA-N 0 0 300.399 0.096 10 0 DCAERN COc1ncccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173527185 416060247 /nfs/dbraw/zinc/06/02/47/416060247.db2.gz VYFGYBNBYXVJJS-LLVKDONJSA-N 0 0 303.322 0.730 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)CN3CCCCC3=O)CCO2)[nH]1 ZINC000173557852 416060265 /nfs/dbraw/zinc/06/02/65/416060265.db2.gz KMFCMXFIIRHXST-NSHDSACASA-N 0 0 321.381 0.280 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000173670098 416061640 /nfs/dbraw/zinc/06/16/40/416061640.db2.gz FIRMFKPSFRMLKL-AAEUAGOBSA-N 0 0 307.398 0.745 10 0 DCAERN CNC(=O)c1cccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000173763035 416063377 /nfs/dbraw/zinc/06/33/77/416063377.db2.gz RIUMKLSMWLUHFZ-HNNXBMFYSA-N 0 0 317.389 0.639 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)n1 ZINC000173764738 416064044 /nfs/dbraw/zinc/06/40/44/416064044.db2.gz JKPSQPNPWRDPSM-NSHDSACASA-N 0 0 319.369 0.379 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccccc3O)CCO2)[nH]1 ZINC000173754882 416064806 /nfs/dbraw/zinc/06/48/06/416064806.db2.gz VDSQBMZDTRILNQ-ZDUSSCGKSA-N 0 0 302.334 0.961 10 0 DCAERN CCc1cnc(CCNS(=O)(=O)N(C)CCOC)s1 ZINC000173808183 416065120 /nfs/dbraw/zinc/06/51/20/416065120.db2.gz ZYUSICUXVHGWFY-UHFFFAOYSA-N 0 0 307.441 0.661 10 0 DCAERN COc1cc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)ccn1 ZINC000173773077 416065548 /nfs/dbraw/zinc/06/55/48/416065548.db2.gz MIFMJGVCADRVNM-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000173884372 416067963 /nfs/dbraw/zinc/06/79/63/416067963.db2.gz FRKDMUUERPXCBI-QWHCGFSZSA-N 0 0 311.426 0.328 10 0 DCAERN Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)no1 ZINC000173941675 416070319 /nfs/dbraw/zinc/07/03/19/416070319.db2.gz SBAZGPOLYODSCM-CYBMUJFWSA-N 0 0 308.382 0.718 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174042157 416072884 /nfs/dbraw/zinc/07/28/84/416072884.db2.gz AKBZBUGQFUUFHO-SNVBAGLBSA-N 0 0 300.384 0.163 10 0 DCAERN COCc1nn(CC(=O)NCc2ccc(OC)cc2)c(=O)o1 ZINC000164415927 416016329 /nfs/dbraw/zinc/01/63/29/416016329.db2.gz LAXAIYDAXDBFQG-UHFFFAOYSA-N 0 0 307.306 0.308 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCO[C@H](CO)C1 ZINC000167508373 416022634 /nfs/dbraw/zinc/02/26/34/416022634.db2.gz JMMFAZOVNZSVJL-JTQLQIEISA-N 0 0 308.359 0.564 10 0 DCAERN O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2cccnn2)CC1 ZINC000171126805 416035942 /nfs/dbraw/zinc/03/59/42/416035942.db2.gz IVICDDMNTHHHRI-CABCVRRESA-N 0 0 322.409 0.155 10 0 DCAERN Cn1c(CN2CCN(CC(N)=O)CC2)nnc1-c1ccccc1 ZINC000171633723 416040555 /nfs/dbraw/zinc/04/05/55/416040555.db2.gz ZKBUYJDHZMTVFE-UHFFFAOYSA-N 0 0 314.393 0.085 10 0 DCAERN O=C(CN1CCC[C@@H](n2cncn2)C1)NC(=O)NC1CCCC1 ZINC000171615508 416040830 /nfs/dbraw/zinc/04/08/30/416040830.db2.gz RGEIKLDFSWIGSS-CYBMUJFWSA-N 0 0 320.397 0.683 10 0 DCAERN CN1CC[C@H](NC(=O)N2CC[C@H](Oc3cccnc3)C2)C1=O ZINC000177960240 416155215 /nfs/dbraw/zinc/15/52/15/416155215.db2.gz QGTODXFZPGJZKL-STQMWFEESA-N 0 0 304.350 0.475 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174907534 416089833 /nfs/dbraw/zinc/08/98/33/416089833.db2.gz LUKAXOUMXHEXCQ-QWHCGFSZSA-N 0 0 315.439 0.465 10 0 DCAERN CCOCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999226 416093529 /nfs/dbraw/zinc/09/35/29/416093529.db2.gz SLXKHNCFGRIMEA-GFCCVEGCSA-N 0 0 308.382 0.767 10 0 DCAERN C[NH+](C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1=O ZINC000175012483 416094363 /nfs/dbraw/zinc/09/43/63/416094363.db2.gz NZFXNTUPAQBVPS-MHRDGSLOSA-N 0 0 323.437 0.016 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000175042007 416095452 /nfs/dbraw/zinc/09/54/52/416095452.db2.gz NKSBSVQKIJGYGX-CYBMUJFWSA-N 0 0 303.370 0.830 10 0 DCAERN Cc1cccc2c1ncnc2N1CCN(C(=O)[C@H](C)O)CC1 ZINC000301885311 416096353 /nfs/dbraw/zinc/09/63/53/416096353.db2.gz LYWZONCALJJKBJ-LBPRGKRZSA-N 0 0 300.362 0.968 10 0 DCAERN CC(C)(NC(=O)CN1CC(=O)NC1=O)c1ccc(F)c(F)c1 ZINC000175167501 416098929 /nfs/dbraw/zinc/09/89/29/416098929.db2.gz PAKKQCVPWGHWSR-UHFFFAOYSA-N 0 0 311.288 0.868 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1CCCC1(C)C ZINC000175307276 416102050 /nfs/dbraw/zinc/10/20/50/416102050.db2.gz GDTUMXCMWJDMQS-UHFFFAOYSA-N 0 0 306.428 0.732 10 0 DCAERN CC[C@@H](NC(=O)[C@H](C)c1cccnc1)C(=O)N1CCOCC1 ZINC000175340897 416104453 /nfs/dbraw/zinc/10/44/53/416104453.db2.gz FTOMHGJKAINFJY-TZMCWYRMSA-N 0 0 305.378 0.939 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2CCOC2)cc1 ZINC000175433806 416106012 /nfs/dbraw/zinc/10/60/12/416106012.db2.gz FBDOTEFXKYIQSF-LBPRGKRZSA-N 0 0 306.362 0.920 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000357678302 416114252 /nfs/dbraw/zinc/11/42/52/416114252.db2.gz YPALJHRTZYWJJI-NXEZZACHSA-N 0 0 307.416 0.133 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000175877927 416115770 /nfs/dbraw/zinc/11/57/70/416115770.db2.gz KBBXYKAYCKIVFR-CYBMUJFWSA-N 0 0 307.398 0.451 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000357695279 416117235 /nfs/dbraw/zinc/11/72/35/416117235.db2.gz YXJKAYWBWBGQBX-KGLIPLIRSA-N 0 0 322.361 0.541 10 0 DCAERN CCOc1cccnc1C(=O)NCC(=O)NCC(F)(F)F ZINC000176107788 416120693 /nfs/dbraw/zinc/12/06/93/416120693.db2.gz MEFWWYBEJWEMTJ-UHFFFAOYSA-N 0 0 305.256 0.889 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000176207997 416121084 /nfs/dbraw/zinc/12/10/84/416121084.db2.gz DPTPFIBGCNDQAR-NSHDSACASA-N 0 0 314.411 0.397 10 0 DCAERN O=C1C[C@@H](Nc2nccc(N[C@@H]3CCCOC3)n2)CN1C1CC1 ZINC000328636652 416125454 /nfs/dbraw/zinc/12/54/54/416125454.db2.gz OEHIVGYAYCLHHX-VXGBXAGGSA-N 0 0 317.393 1.243 10 0 DCAERN CC(C)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)n(C)n1 ZINC000176485791 416127487 /nfs/dbraw/zinc/12/74/87/416127487.db2.gz WXZNQGSXZNWWTJ-MRXNPFEDSA-N 0 0 324.425 0.357 10 0 DCAERN CS(=O)(=O)CCCNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000357767473 416128955 /nfs/dbraw/zinc/12/89/55/416128955.db2.gz WBNFPBDIJLMACV-UHFFFAOYSA-N 0 0 310.379 0.797 10 0 DCAERN COC(=O)C[C@@H]1CN(C(=O)Nc2c(C)nn(C)c2C)CCO1 ZINC000357812094 416134960 /nfs/dbraw/zinc/13/49/60/416134960.db2.gz XZMPYNAJGKQBOV-LLVKDONJSA-N 0 0 310.354 0.833 10 0 DCAERN COCc1nc2n(n1)C[C@@H](NC(=O)c1ncncc1Cl)CC2 ZINC000176819070 416135285 /nfs/dbraw/zinc/13/52/85/416135285.db2.gz BYFRUCRPSZTYDR-QMMMGPOBSA-N 0 0 322.756 0.613 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@H](C)C1 ZINC000357943793 416156946 /nfs/dbraw/zinc/15/69/46/416156946.db2.gz VPLCWANUYSTFJO-OCCSQVGLSA-N 0 0 321.421 0.857 10 0 DCAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)CN1CCCC1=O ZINC000177046483 416139701 /nfs/dbraw/zinc/13/97/01/416139701.db2.gz OLDQBWBLKUUDQD-RYUDHWBXSA-N 0 0 300.399 0.632 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000177616226 416147547 /nfs/dbraw/zinc/14/75/47/416147547.db2.gz XLZTZTLYGLGHIM-DIOULYMOSA-N 0 0 315.373 0.707 10 0 DCAERN CNC(=O)Cc1nc(CN(CCOC)CCOC)cs1 ZINC000177548586 416147843 /nfs/dbraw/zinc/14/78/43/416147843.db2.gz MGDVQIAAYDGSNP-UHFFFAOYSA-N 0 0 301.412 0.526 10 0 DCAERN CCOC(=O)NCC(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000178634242 416167504 /nfs/dbraw/zinc/16/75/04/416167504.db2.gz GJYUJRIIBIDVOG-GFCCVEGCSA-N 0 0 308.382 0.947 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCS1(=O)=O ZINC000329403241 416167904 /nfs/dbraw/zinc/16/79/04/416167904.db2.gz CBKPZOSSXFIWOZ-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN CNC(=O)[C@H](NC(=O)CNC(=O)CC1CCCCC1)C(C)C ZINC000178690042 416169367 /nfs/dbraw/zinc/16/93/67/416169367.db2.gz MQVSIHZTMVXGOW-OAHLLOKOSA-N 0 0 311.426 0.960 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(C)C ZINC000178726066 416170396 /nfs/dbraw/zinc/17/03/96/416170396.db2.gz LADZKXNVOSWVGK-CYBMUJFWSA-N 0 0 305.378 0.754 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000178775214 416171606 /nfs/dbraw/zinc/17/16/06/416171606.db2.gz QCMVYKVUACPFTH-VXGBXAGGSA-N 0 0 321.381 0.312 10 0 DCAERN CN(CCCO)C(=O)C(=O)NCc1ccc(OC(F)F)cn1 ZINC000358032349 416173232 /nfs/dbraw/zinc/17/32/32/416173232.db2.gz VKVZRBGVLBPWPC-UHFFFAOYSA-N 0 0 317.292 0.140 10 0 DCAERN O=C(N[C@H]1CCCOC1)N1CCC(N2CCCNC2=O)CC1 ZINC000178809139 416174781 /nfs/dbraw/zinc/17/47/81/416174781.db2.gz KCOMTOQYOSMWGV-LBPRGKRZSA-N 0 0 310.398 0.755 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c(C)c1 ZINC000178956952 416178888 /nfs/dbraw/zinc/17/88/88/416178888.db2.gz ZAGKSUHWZUAFNR-AWEZNQCLSA-N 0 0 316.405 0.358 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000179155305 416182916 /nfs/dbraw/zinc/18/29/16/416182916.db2.gz LKHAREUSZCTGKY-KGLIPLIRSA-N 0 0 314.345 0.442 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329681550 416184046 /nfs/dbraw/zinc/18/40/46/416184046.db2.gz YJMJKFUBJUVCNZ-JHJVBQTASA-N 0 0 300.424 0.506 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)N[C@H]1CCC(=O)NC1=O ZINC000179364625 416187460 /nfs/dbraw/zinc/18/74/60/416187460.db2.gz IIGWEVHYPZPDPB-QMMMGPOBSA-N 0 0 308.363 0.949 10 0 DCAERN CC(=O)NCc1ccc(C(=O)NCCNC(=O)N(C)C)s1 ZINC000179584905 416190226 /nfs/dbraw/zinc/19/02/26/416190226.db2.gz IWBKMSHZACFRNV-UHFFFAOYSA-N 0 0 312.395 0.385 10 0 DCAERN O=C(CNC(=O)N1CCC[C@H]1c1ccco1)N1CCOCC1 ZINC000179760362 416191951 /nfs/dbraw/zinc/19/19/51/416191951.db2.gz ZRJSCAQLCCSQQC-LBPRGKRZSA-N 0 0 307.350 0.985 10 0 DCAERN CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)[C@H]1CCOC1 ZINC000329923828 416193793 /nfs/dbraw/zinc/19/37/93/416193793.db2.gz IRIYJPARZXRMFA-ZNMIVQPWSA-N 0 0 322.405 0.675 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCCCOCCO)c1ccccc1 ZINC000180372948 416196271 /nfs/dbraw/zinc/19/62/71/416196271.db2.gz LRTDCLBCDOWOLH-OAHLLOKOSA-N 0 0 308.378 0.769 10 0 DCAERN COCC[C@H](COC)NC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000358413244 416233986 /nfs/dbraw/zinc/23/39/86/416233986.db2.gz NOZYMDDTCWCYOO-SNVBAGLBSA-N 0 0 309.322 0.194 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000330194428 416198469 /nfs/dbraw/zinc/19/84/69/416198469.db2.gz OSUNWXSGQKVODI-ZIAGYGMSSA-N 0 0 318.439 0.828 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181172229 416205112 /nfs/dbraw/zinc/20/51/12/416205112.db2.gz AHHNLNAVEUMLTD-SNVBAGLBSA-N 0 0 300.384 0.683 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000181400502 416205332 /nfs/dbraw/zinc/20/53/32/416205332.db2.gz IZIAFWILOLWVQL-CVEARBPZSA-N 0 0 313.405 0.983 10 0 DCAERN COC(=O)NCCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181384465 416205508 /nfs/dbraw/zinc/20/55/08/416205508.db2.gz LSRWRKUZGKWQOY-LBPRGKRZSA-N 0 0 309.370 0.029 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000358188688 416206792 /nfs/dbraw/zinc/20/67/92/416206792.db2.gz LLLBJRAZQNTVQZ-LBPRGKRZSA-N 0 0 303.428 0.371 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181446113 416207827 /nfs/dbraw/zinc/20/78/27/416207827.db2.gz NSAPJTXTGATMST-ZDUSSCGKSA-N 0 0 323.397 0.419 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)CCNC(=O)C(C)(C)C)cn1 ZINC000181415810 416208260 /nfs/dbraw/zinc/20/82/60/416208260.db2.gz QLSKABCQPIBTHK-CYBMUJFWSA-N 0 0 321.425 0.445 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1C ZINC000341581326 416212502 /nfs/dbraw/zinc/21/25/02/416212502.db2.gz BOHJROKZAULXHA-CQSZACIVSA-N 0 0 314.349 0.920 10 0 DCAERN COCC(=O)N1CCc2c1cccc2NC(=O)CC[S@@](C)=O ZINC000181986131 416213049 /nfs/dbraw/zinc/21/30/49/416213049.db2.gz HCSNQQMJOMUKKF-JOCHJYFZSA-N 0 0 324.402 0.929 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000182181086 416215137 /nfs/dbraw/zinc/21/51/37/416215137.db2.gz MOQPFNPARRUZLL-LBPRGKRZSA-N 0 0 321.377 0.930 10 0 DCAERN C[C@@H](NC(=O)NCCNC(=O)c1ccccc1)c1nc[nH]n1 ZINC000182287086 416217397 /nfs/dbraw/zinc/21/73/97/416217397.db2.gz ZSOKGZMGNLBRGS-SNVBAGLBSA-N 0 0 302.338 0.595 10 0 DCAERN NC(=O)N1CCCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1 ZINC000182316107 416219102 /nfs/dbraw/zinc/21/91/02/416219102.db2.gz FPCWGVXLGBYGIQ-UHFFFAOYSA-N 0 0 316.361 0.337 10 0 DCAERN CC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000182361484 416219751 /nfs/dbraw/zinc/21/97/51/416219751.db2.gz OGRCBYONNHRPJL-VHSXEESVSA-N 0 0 318.370 0.380 10 0 DCAERN COCc1nc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)no1 ZINC000182449573 416223413 /nfs/dbraw/zinc/22/34/13/416223413.db2.gz RQQKLJHUBCVMRW-GFCCVEGCSA-N 0 0 307.354 0.622 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccnc(N(C)C)n1 ZINC000330654212 416224749 /nfs/dbraw/zinc/22/47/49/416224749.db2.gz JVQZUFRGZWXCET-NSHDSACASA-N 0 0 309.395 0.080 10 0 DCAERN COC(=O)CCCCCNC(=O)c1cnc2c(c1)nnn2C ZINC000182684960 416227349 /nfs/dbraw/zinc/22/73/49/416227349.db2.gz WXDXCHPANFTHNH-UHFFFAOYSA-N 0 0 305.338 0.827 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1nncs1)C1CC1 ZINC000178366498 416162824 /nfs/dbraw/zinc/16/28/24/416162824.db2.gz WFGNXIPWBXOVCZ-ZETCQYMHSA-N 0 0 304.397 0.968 10 0 DCAERN COc1cc(OC)cc(S(=O)(=O)NCc2ccnn2C)c1 ZINC000178402596 416163290 /nfs/dbraw/zinc/16/32/90/416163290.db2.gz RKACBORXUNWNQM-UHFFFAOYSA-N 0 0 311.363 0.916 10 0 DCAERN CN(C(=O)c1ccc2nnn(C)c2c1)C1(C(N)=O)CCCC1 ZINC000183512031 416243595 /nfs/dbraw/zinc/24/35/95/416243595.db2.gz OUWPCJNBQYFEKR-UHFFFAOYSA-N 0 0 301.350 0.838 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H](CO)C1CC1 ZINC000358511200 416248072 /nfs/dbraw/zinc/24/80/72/416248072.db2.gz DXYKQCVRVUHEIS-OAHLLOKOSA-N 0 0 319.405 0.963 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@@H](C)[C@@H]2C(N)=O)CC1 ZINC000348857640 416249160 /nfs/dbraw/zinc/24/91/60/416249160.db2.gz CLYJLBJKTKTXQL-WNYYMSAVSA-N 0 0 312.366 0.067 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)CCCc1ccc(F)c(F)c1 ZINC000183967952 416250037 /nfs/dbraw/zinc/25/00/37/416250037.db2.gz LZTFPDXXIJRGPB-LBPRGKRZSA-N 0 0 301.289 0.938 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000183952613 416250861 /nfs/dbraw/zinc/25/08/61/416250861.db2.gz QEQJACFEESHQMB-QWHCGFSZSA-N 0 0 320.389 0.791 10 0 DCAERN C[NH+](C)CCN1CCC(NC(=O)NC[C@@H](CO)C2CC2)CC1 ZINC000358584751 416257334 /nfs/dbraw/zinc/25/73/34/416257334.db2.gz CMUSZPJEDHESQY-AWEZNQCLSA-N 0 0 312.458 0.330 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ncoc1C ZINC000331100519 416264627 /nfs/dbraw/zinc/26/46/27/416264627.db2.gz OKFGONQXFJUOLP-MWLCHTKSSA-N 0 0 302.352 0.744 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1cccnc1N(C)C ZINC000190278025 416278428 /nfs/dbraw/zinc/27/84/28/416278428.db2.gz JKUXDAFXJXYLSO-NEPJUHHUSA-N 0 0 310.398 0.421 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000331125383 416268819 /nfs/dbraw/zinc/26/88/19/416268819.db2.gz DASUQLLBUDXHEF-CYBMUJFWSA-N 0 0 324.402 0.976 10 0 DCAERN O=C(CCNCc1cocn1)N1CCN(c2ccccn2)CC1 ZINC000192301215 416303649 /nfs/dbraw/zinc/30/36/49/416303649.db2.gz BVEUJVYKUQLEBZ-UHFFFAOYSA-N 0 0 315.377 0.898 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NCc2ccco2)cn1C ZINC000192749102 416309528 /nfs/dbraw/zinc/30/95/28/416309528.db2.gz NEUGOOMSIWIIGB-UHFFFAOYSA-N 0 0 311.363 0.798 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000193381387 416315304 /nfs/dbraw/zinc/31/53/04/416315304.db2.gz IIUZTGHJSJSRSU-UHFFFAOYSA-N 0 0 314.411 0.687 10 0 DCAERN CCc1nc(NC(=O)C(=O)N2CC(=O)N(CC)C2)sc1C ZINC000193525478 416317797 /nfs/dbraw/zinc/31/77/97/416317797.db2.gz QQTGKUIFSCQHKZ-UHFFFAOYSA-N 0 0 310.379 0.601 10 0 DCAERN CCC(C)(CC)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000193918950 416321050 /nfs/dbraw/zinc/32/10/50/416321050.db2.gz OXCDZHBLUAZXDM-UHFFFAOYSA-N 0 0 314.473 0.766 10 0 DCAERN CNS(=O)(=O)CCNS(=O)(=O)c1cccc(C(C)C)c1 ZINC000190600666 416281964 /nfs/dbraw/zinc/28/19/64/416281964.db2.gz PKFNQQILWCHYEQ-UHFFFAOYSA-N 0 0 320.436 0.638 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@H](C)O[C@H](CO)C2)cc1 ZINC000331215731 416287677 /nfs/dbraw/zinc/28/76/77/416287677.db2.gz VMLHJLIZZMAVQI-NHYWBVRUSA-N 0 0 306.362 0.891 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000191971520 416293731 /nfs/dbraw/zinc/29/37/31/416293731.db2.gz LCIIKAVTEMFVQF-JTQLQIEISA-N 0 0 312.439 0.974 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@H]2C[C@H]2C)n1 ZINC000192009836 416295614 /nfs/dbraw/zinc/29/56/14/416295614.db2.gz WMDFKPCXUBRACD-KCJUWKMLSA-N 0 0 314.349 0.742 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192028545 416297232 /nfs/dbraw/zinc/29/72/32/416297232.db2.gz NZVLVJRFSIXHCG-ZYHUDNBSSA-N 0 0 308.382 0.926 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000248653259 416333598 /nfs/dbraw/zinc/33/35/98/416333598.db2.gz YQOHVBHCVZVWPK-CHWSQXEVSA-N 0 0 313.442 0.907 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CCS1(=O)=O ZINC000248949496 416334083 /nfs/dbraw/zinc/33/40/83/416334083.db2.gz ZQKHRKCKMIFLQU-RAIGVLPGSA-N 0 0 316.423 0.773 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCCC1=O ZINC000250123688 416334486 /nfs/dbraw/zinc/33/44/86/416334486.db2.gz VUZHWRCUSSCGID-HIFRSBDPSA-N 0 0 311.426 0.158 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)C(=O)c2cnn(CC)c2)no1 ZINC000359514959 416349182 /nfs/dbraw/zinc/34/91/82/416349182.db2.gz YOYFSEDIPRVRAU-VIFPVBQESA-N 0 0 321.337 0.883 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccn2)C1)C(=O)N1CCC12CCC2 ZINC000359688140 416353060 /nfs/dbraw/zinc/35/30/60/416353060.db2.gz NYKNHUPUYIPJIJ-ZDUSSCGKSA-N 0 0 314.389 0.932 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)Nc2ccc3c[nH]nc3c2)C1=O ZINC000194518231 416323309 /nfs/dbraw/zinc/32/33/09/416323309.db2.gz OHHUCOXDGULJOC-UHFFFAOYSA-N 0 0 301.306 0.832 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194693954 416323940 /nfs/dbraw/zinc/32/39/40/416323940.db2.gz KNASBHHYCJYWIS-UHFFFAOYSA-N 0 0 312.329 0.895 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(C)nn2)cc1 ZINC000194975504 416325121 /nfs/dbraw/zinc/32/51/21/416325121.db2.gz RUKJIJPHWHCYCX-UHFFFAOYSA-N 0 0 320.374 0.970 10 0 DCAERN CC[C@@](C)(OC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000360054979 416368546 /nfs/dbraw/zinc/36/85/46/416368546.db2.gz NPCSUSXDDXWSPG-OAHLLOKOSA-N 0 0 300.399 0.897 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)N[C@H](CO)C2CCOCC2)[nH]n1 ZINC000360247531 416381949 /nfs/dbraw/zinc/38/19/49/416381949.db2.gz ASXKKKNGMUANJD-QMTHXVAHSA-N 0 0 310.398 0.736 10 0 DCAERN C[C@H](CNc1ncc(F)c(-c2ccsc2)n1)S(N)(=O)=O ZINC000418892328 416392905 /nfs/dbraw/zinc/39/29/05/416392905.db2.gz FTQVWMQBUMNAFA-SSDOTTSWSA-N 0 0 316.383 1.433 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@H]1CO)NC12CC3CC(CC(C3)C1)C2 ZINC000360502841 416393633 /nfs/dbraw/zinc/39/36/33/416393633.db2.gz GPSLCERKELJLPA-MGZIPMFSSA-N 0 0 308.422 0.499 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N(CCCO)Cc1ccccn1 ZINC000360525470 416394500 /nfs/dbraw/zinc/39/45/00/416394500.db2.gz ODVPLKJXSRRXBI-ZDUSSCGKSA-N 0 0 313.423 0.995 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(OC)cn2)CC1 ZINC000360655174 416401665 /nfs/dbraw/zinc/40/16/65/416401665.db2.gz XRONYTQJKJWLDN-UHFFFAOYSA-N 0 0 321.377 0.800 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)NCc1ccc2cc[nH]c2n1 ZINC000360698918 416404192 /nfs/dbraw/zinc/40/41/92/416404192.db2.gz GCDAASAJURAKED-SNVBAGLBSA-N 0 0 301.350 0.935 10 0 DCAERN C[C@H](CNC(=O)Cn1cc(-c2ccccc2)nn1)S(C)(=O)=O ZINC000532824311 416460985 /nfs/dbraw/zinc/46/09/85/416460985.db2.gz XFQLZIVUVWLZFL-LLVKDONJSA-N 0 0 322.390 0.494 10 0 DCAERN CC(C)(C)n1ncnc1CN1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583617994 416477113 /nfs/dbraw/zinc/47/71/13/416477113.db2.gz QXBIFXLVVFXRMR-CQSZACIVSA-N 0 0 305.386 0.635 10 0 DCAERN O=C(c1ccc(-n2cccn2)cc1)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618409 416478203 /nfs/dbraw/zinc/47/82/03/416478203.db2.gz UHCRFXBKPAAICC-INIZCTEOSA-N 0 0 324.344 0.724 10 0 DCAERN O=C(COC1CCCCC1)N1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000583618907 416478253 /nfs/dbraw/zinc/47/82/53/416478253.db2.gz FJZBODKRDDQOTE-OAHLLOKOSA-N 0 0 308.382 0.964 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCC(=O)N1CCCC1 ZINC000361698449 416478513 /nfs/dbraw/zinc/47/85/13/416478513.db2.gz HYBGZUVGHHRMKX-UHFFFAOYSA-N 0 0 321.381 0.221 10 0 DCAERN O=C(COC1CCCCC1)N1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583618906 416478550 /nfs/dbraw/zinc/47/85/50/416478550.db2.gz FJZBODKRDDQOTE-HNNXBMFYSA-N 0 0 308.382 0.964 10 0 DCAERN Cn1cnnc1[C@H]1CN(C(=O)[C@H]2COc3ccccc32)CCO1 ZINC000583621796 416480353 /nfs/dbraw/zinc/48/03/53/416480353.db2.gz SYKGXSFRBDBJKZ-GXTWGEPZSA-N 0 0 314.345 0.891 10 0 DCAERN C/C=C/C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)OCC ZINC000361531721 416444983 /nfs/dbraw/zinc/44/49/83/416444983.db2.gz BIXUQHVRWMVDHS-UTSBZEJYSA-N 0 0 303.380 0.435 10 0 DCAERN C/C=C\C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)OCC ZINC000361546376 416446564 /nfs/dbraw/zinc/44/65/64/416446564.db2.gz SLEHWQQLRAALNB-QZPNVGJNSA-N 0 0 305.396 0.825 10 0 DCAERN Cc1nn(C)c(C)c1CCNc1nc2c(cnn2C)c(=O)[nH]1 ZINC000590770081 416528570 /nfs/dbraw/zinc/52/85/70/416528570.db2.gz RXWCAEHLEPESBF-UHFFFAOYSA-N 0 0 301.354 1.074 10 0 DCAERN CC(C)(C)n1ncc2c1nc(N1CC[C@H](NC(N)=O)C1)[nH]c2=O ZINC000536502900 416541474 /nfs/dbraw/zinc/54/14/74/416541474.db2.gz REPFXUNSTWBFAU-QMMMGPOBSA-N 0 0 319.369 0.534 10 0 DCAERN COC(=O)[C@@H](C)N(C)C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000362043862 416549784 /nfs/dbraw/zinc/54/97/84/416549784.db2.gz AWYQZQHOTVEHHG-LLVKDONJSA-N 0 0 302.334 0.965 10 0 DCAERN CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[C@@H](OC)C2)cc1C ZINC000471931527 416549857 /nfs/dbraw/zinc/54/98/57/416549857.db2.gz KUHTYKNJNFAXHK-GHMZBOCLSA-N 0 0 309.370 0.627 10 0 DCAERN CN1CCC[C@H](NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)C1=O ZINC000362093166 416562553 /nfs/dbraw/zinc/56/25/53/416562553.db2.gz IDRIFLQHRRJILL-RYUDHWBXSA-N 0 0 322.340 0.272 10 0 DCAERN C[C@H]1CCc2nc(NC(=O)C(=O)NCCCC(N)=O)sc2C1 ZINC000434736545 416494365 /nfs/dbraw/zinc/49/43/65/416494365.db2.gz HBYFCSWIPONFRI-QMMMGPOBSA-N 0 0 324.406 0.588 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@H](O)C(F)F ZINC000361847521 416509185 /nfs/dbraw/zinc/50/91/85/416509185.db2.gz DCDIZSWTZIIHDY-QMMMGPOBSA-N 0 0 304.297 0.224 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000585391250 416519437 /nfs/dbraw/zinc/51/94/37/416519437.db2.gz ILZSAMRSEOEQGK-GFCCVEGCSA-N 0 0 304.346 0.801 10 0 DCAERN Cc1c(C(=O)NC[C@H]2C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439045829 416605920 /nfs/dbraw/zinc/60/59/20/416605920.db2.gz YRBLHKWARWCDNP-WCBMZHEXSA-N 0 0 316.361 0.326 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)nn1C ZINC000439458384 416611770 /nfs/dbraw/zinc/61/17/70/416611770.db2.gz SZFKYQGMEWNSJA-VIFPVBQESA-N 0 0 300.309 1.361 10 0 DCAERN C[C@H]1COC(C)(C)CN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000436720405 416569632 /nfs/dbraw/zinc/56/96/32/416569632.db2.gz JMLMLCVVSMWEEW-JTQLQIEISA-N 0 0 323.397 0.998 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCSC[C@@H]1CCO ZINC000539312636 416578547 /nfs/dbraw/zinc/57/85/47/416578547.db2.gz NJDGPWAZRACVHZ-AGIUHOORSA-N 0 0 318.439 0.690 10 0 DCAERN Cn1ccc(CNC(=O)NCCNC(=O)c2cccs2)n1 ZINC000540243762 416589571 /nfs/dbraw/zinc/58/95/71/416589571.db2.gz VDWSHGYUDMDNLT-UHFFFAOYSA-N 0 0 307.379 0.711 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NCc2nnnn2CC2CC2)n1 ZINC000546742046 416677776 /nfs/dbraw/zinc/67/77/76/416677776.db2.gz AGFKTCTVJQBZTK-UHFFFAOYSA-N 0 0 319.373 0.751 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@H](O)COCC2CC2)n1 ZINC000542433423 416624302 /nfs/dbraw/zinc/62/43/02/416624302.db2.gz JGBLSHNIPNDQQD-LLVKDONJSA-N 0 0 311.386 0.942 10 0 DCAERN C[S@@](=O)C1(CNC(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000441900475 416683463 /nfs/dbraw/zinc/68/34/63/416683463.db2.gz YLPNZDMHPDBMDH-OAQYLSRUSA-N 0 0 315.439 0.646 10 0 DCAERN C[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000440133980 416627395 /nfs/dbraw/zinc/62/73/95/416627395.db2.gz NRLBHMHBZAFVEN-WDEREUQCSA-N 0 0 307.398 1.524 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc2ccccc2c(=O)n1C ZINC000367625686 416649778 /nfs/dbraw/zinc/64/97/78/416649778.db2.gz LNOWZFLKSPEOGS-LLVKDONJSA-N 0 0 313.357 0.889 10 0 DCAERN O=C(Nc1cccnn1)N1CCN(c2ccc(F)cn2)CC1 ZINC000367662904 416651004 /nfs/dbraw/zinc/65/10/04/416651004.db2.gz YMPMVJVRWYYDEL-UHFFFAOYSA-N 0 0 302.313 1.365 10 0 DCAERN CCOCC1(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)CC1 ZINC000440868692 416652653 /nfs/dbraw/zinc/65/26/53/416652653.db2.gz POOUECJGPBJHSY-WDEREUQCSA-N 0 0 314.382 0.376 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC(=O)N1C ZINC000368521611 416664106 /nfs/dbraw/zinc/66/41/06/416664106.db2.gz HEKLVUJKSYMAPA-STQMWFEESA-N 0 0 317.393 0.532 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1nnc2ccccn21 ZINC000441209558 416665003 /nfs/dbraw/zinc/66/50/03/416665003.db2.gz SCXCSMGJWIMICH-UWVGGRQHSA-N 0 0 302.338 0.196 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000545318295 416671957 /nfs/dbraw/zinc/67/19/57/416671957.db2.gz XMRSALGAOGVSTG-SNVBAGLBSA-N 0 0 310.441 0.130 10 0 DCAERN Cc1c(CC(=O)N2CC(n3ccnn3)C2)nnn1-c1ccccc1 ZINC000368604048 416673846 /nfs/dbraw/zinc/67/38/46/416673846.db2.gz SUMWIYHKIZLDLN-UHFFFAOYSA-N 0 0 323.360 0.793 10 0 DCAERN COC(=O)c1cc(NC(=O)C(=O)N(C)CCCO)ccc1C ZINC000443350237 416755012 /nfs/dbraw/zinc/75/50/12/416755012.db2.gz WXMGNFQFAICIRS-UHFFFAOYSA-N 0 0 308.334 0.561 10 0 DCAERN COC[C@@H](C)NC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000516880067 416751709 /nfs/dbraw/zinc/75/17/09/416751709.db2.gz KSIDBOFRRIHQKK-UPJWGTAASA-N 0 0 300.399 0.888 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)NCC2CC(C)(C)C2)n1 ZINC000548744460 416691531 /nfs/dbraw/zinc/69/15/31/416691531.db2.gz BAWBALIHBUKFNE-UHFFFAOYSA-N 0 0 307.398 1.524 10 0 DCAERN COC(=O)c1ccccc1OCCN1CCN2CCOC[C@@H]2C1 ZINC000368815630 416694981 /nfs/dbraw/zinc/69/49/81/416694981.db2.gz FLZZOHZQFVPGOS-AWEZNQCLSA-N 0 0 320.389 0.868 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000368818548 416696283 /nfs/dbraw/zinc/69/62/83/416696283.db2.gz QFKAJXFKIIUKRS-AWEZNQCLSA-N 0 0 317.389 0.844 10 0 DCAERN COc1ccc(NC(=O)N2CCc3cc[nH]c(=O)c3C2)nn1 ZINC000551953642 416697811 /nfs/dbraw/zinc/69/78/11/416697811.db2.gz RYZVQFCWEAHAGQ-UHFFFAOYSA-N 0 0 301.306 1.176 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nnnn1C ZINC000443002632 416724781 /nfs/dbraw/zinc/72/47/81/416724781.db2.gz AJYMIUUGHVRDPU-UHFFFAOYSA-N 0 0 311.367 0.348 10 0 DCAERN CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557383850 416733313 /nfs/dbraw/zinc/73/33/13/416733313.db2.gz XIRJRPLKBCHZJJ-LLVKDONJSA-N 0 0 322.390 0.503 10 0 DCAERN CCCN(CC(C)(C)O)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000443220110 416736752 /nfs/dbraw/zinc/73/67/52/416736752.db2.gz HVFIYFFZXZYKRC-RYUDHWBXSA-N 0 0 308.444 0.823 10 0 DCAERN Cc1cnn(CCC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)c1 ZINC000623150720 416757076 /nfs/dbraw/zinc/75/70/76/416757076.db2.gz KNPRQYNXKJFVRS-TZMCWYRMSA-N 0 0 303.366 0.962 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)c2ccc(-n3ccnc3)nn2)n1 ZINC000558282919 416763021 /nfs/dbraw/zinc/76/30/21/416763021.db2.gz IKYTZTHHHZHSJM-UHFFFAOYSA-N 0 0 312.337 1.261 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000369389600 416765083 /nfs/dbraw/zinc/76/50/83/416765083.db2.gz QLKHZIGJTHRWKW-DZGCQCFKSA-N 0 0 306.362 0.272 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000369390099 416769158 /nfs/dbraw/zinc/76/91/58/416769158.db2.gz WKWVKCWCPFROHJ-KGLIPLIRSA-N 0 0 324.425 0.112 10 0 DCAERN COc1ccc2c(c1)OCC[C@@H]2NC(=O)CN1CCOCC1=O ZINC000369620993 416805065 /nfs/dbraw/zinc/80/50/65/416805065.db2.gz GOQYWTHLDGAHSG-ZDUSSCGKSA-N 0 0 320.345 0.494 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000615547356 416859612 /nfs/dbraw/zinc/85/96/12/416859612.db2.gz ZEXFZASGWNSJJI-VEGXAWMVSA-N 0 0 317.407 0.767 10 0 DCAERN CCO[C@H]1C[C@](NCCN2CCOCC2)(C(=O)OC)C1(C)C ZINC000444749485 416863610 /nfs/dbraw/zinc/86/36/10/416863610.db2.gz WGYCDPQUQPLGHP-BBRMVZONSA-N 0 0 314.426 0.655 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCN1CCCS1(=O)=O ZINC000615628560 416875126 /nfs/dbraw/zinc/87/51/26/416875126.db2.gz BEJVRYLBDJFIDY-AGIUHOORSA-N 0 0 316.423 0.295 10 0 DCAERN Cc1cc(C(=O)N2CCN([C@H]3CCCCNC3=O)CC2)n(C)n1 ZINC000370068368 416879961 /nfs/dbraw/zinc/87/99/61/416879961.db2.gz XKXBWLZTJMNTMW-ZDUSSCGKSA-N 0 0 319.409 0.155 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000370103592 416884100 /nfs/dbraw/zinc/88/41/00/416884100.db2.gz GBLNXEZNFLNHAL-MGPQQGTHSA-N 0 0 310.394 0.509 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccncn2)CC1 ZINC000445165362 416887840 /nfs/dbraw/zinc/88/78/40/416887840.db2.gz ZCWFDYWIHWMVQW-UHFFFAOYSA-N 0 0 307.354 0.578 10 0 DCAERN Cn1cnc2cc(S(=O)(=O)N3C[C@H](F)C[C@H]3CO)ccc21 ZINC000444280109 416825459 /nfs/dbraw/zinc/82/54/59/416825459.db2.gz RYYITJRAZGXCFE-ZJUUUORDSA-N 0 0 313.354 0.667 10 0 DCAERN C[C@@]1(C(=O)N2CCN(c3ccc(F)cn3)CC2)CCC(=O)NC1 ZINC000369855005 416836391 /nfs/dbraw/zinc/83/63/91/416836391.db2.gz BSZMLJHXQOSIOS-MRXNPFEDSA-N 0 0 320.368 0.786 10 0 DCAERN Cc1csc2ncc(C(=O)N3C[C@@H](F)C[C@@H]3CO)c(=O)n12 ZINC000444542307 416847356 /nfs/dbraw/zinc/84/73/56/416847356.db2.gz DBWVMPFXZPNCIP-DTWKUNHWSA-N 0 0 311.338 0.609 10 0 DCAERN CNc1ncc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)s1 ZINC000371738026 416919280 /nfs/dbraw/zinc/91/92/80/416919280.db2.gz ZMJGQMPRYHPUQU-JTQLQIEISA-N 0 0 320.349 1.469 10 0 DCAERN NC(=O)Cn1ccc(NC(=O)Nc2cccc3c2OCCC3)n1 ZINC000446345115 416922580 /nfs/dbraw/zinc/92/25/80/416922580.db2.gz WYGIQFGETCEBLB-UHFFFAOYSA-N 0 0 315.333 1.337 10 0 DCAERN CC(=O)N1CC[C@H](CN(C)S(=O)(=O)CCOC(C)(C)C)C1 ZINC000632142058 416924028 /nfs/dbraw/zinc/92/40/28/416924028.db2.gz XJKAOULNACBWRW-CYBMUJFWSA-N 0 0 320.455 0.932 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2c[nH]nc2-c2nccs2)C1 ZINC000446382642 416928283 /nfs/dbraw/zinc/92/82/83/416928283.db2.gz DMMFHLZAEQCMJP-SSDOTTSWSA-N 0 0 321.366 0.808 10 0 DCAERN C[C@@H](CNC(=O)c1cnccc1C(F)(F)F)S(N)(=O)=O ZINC000565192977 416942015 /nfs/dbraw/zinc/94/20/15/416942015.db2.gz XKMJIAXSEIVYDY-LURJTMIESA-N 0 0 311.285 0.507 10 0 DCAERN C[C@H](CNC(=O)c1cnccc1C(F)(F)F)S(N)(=O)=O ZINC000565192980 416942446 /nfs/dbraw/zinc/94/24/46/416942446.db2.gz XKMJIAXSEIVYDY-ZCFIWIBFSA-N 0 0 311.285 0.507 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)C1 ZINC000376125277 417020610 /nfs/dbraw/zinc/02/06/10/417020610.db2.gz JALYEEFFOOWARV-LLVKDONJSA-N 0 0 303.366 0.243 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cnn(CC(=O)NC3CC3)c2)C1=O ZINC000565883458 417027379 /nfs/dbraw/zinc/02/73/79/417027379.db2.gz DSQIYLCBMWBRGH-DLGQBQFBSA-N 0 0 317.349 0.553 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1C ZINC000447758637 417028037 /nfs/dbraw/zinc/02/80/37/417028037.db2.gz NCVCFQLWRWQBMJ-INIZCTEOSA-N 0 0 317.345 0.823 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000373913313 416968664 /nfs/dbraw/zinc/96/86/64/416968664.db2.gz UGKQMZRYZOKHGP-UPJWGTAASA-N 0 0 317.455 0.352 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@@H]1CO ZINC000565401154 416973927 /nfs/dbraw/zinc/97/39/27/416973927.db2.gz JIFOZPIXBHUMDA-ZYHUDNBSSA-N 0 0 302.334 0.502 10 0 DCAERN O=C(NCCn1cccn1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000624260101 416991214 /nfs/dbraw/zinc/99/12/14/416991214.db2.gz NASFYMGXSKIIGJ-CQSZACIVSA-N 0 0 311.349 0.470 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCOCC(C)C)C1 ZINC000522203932 417054607 /nfs/dbraw/zinc/05/46/07/417054607.db2.gz MASQDYVNOPJZGF-GFCCVEGCSA-N 0 0 306.428 0.589 10 0 DCAERN CC(C)(C)NS(=O)(=O)CCNC(=O)Cc1cccc(O)c1 ZINC000523117265 417078400 /nfs/dbraw/zinc/07/84/00/417078400.db2.gz ONGFLKOSOJQHEY-UHFFFAOYSA-N 0 0 314.407 0.769 10 0 DCAERN CC(=O)Nc1ccc([C@H]2CCOCCN2S(N)(=O)=O)cc1 ZINC000616598792 417082782 /nfs/dbraw/zinc/08/27/82/417082782.db2.gz RVJVJABYGPOOPV-CYBMUJFWSA-N 0 0 313.379 0.612 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOCC[C@@H]1c1nc[nH]n1 ZINC000616597635 417085137 /nfs/dbraw/zinc/08/51/37/417085137.db2.gz FKKCTUPXOQFXDL-GFCCVEGCSA-N 0 0 308.363 0.957 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCOCC[C@H]1c1nc[nH]n1 ZINC000616597034 417085183 /nfs/dbraw/zinc/08/51/83/417085183.db2.gz FKKCTUPXOQFXDL-LBPRGKRZSA-N 0 0 308.363 0.957 10 0 DCAERN CC(=O)Nc1cccc([C@@H]2CN(S(N)(=O)=O)CCCO2)c1 ZINC000616651693 417086140 /nfs/dbraw/zinc/08/61/40/417086140.db2.gz WJXBBHWVTUESGF-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN CCOC(=O)c1cccc([C@@H]2CN(S(N)(=O)=O)CCN2)c1 ZINC000616635806 417086284 /nfs/dbraw/zinc/08/62/84/417086284.db2.gz SLFRBQQMHONJOP-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN CCOC(=O)c1ccc([C@@H]2COCCN2S(N)(=O)=O)cc1 ZINC000616642661 417086520 /nfs/dbraw/zinc/08/65/20/417086520.db2.gz FDVKYQFCMLXESZ-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN COC(=O)[C@@H]1CCN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665440 417090731 /nfs/dbraw/zinc/09/07/31/417090731.db2.gz IUTSGUWUXXIVBA-NSHDSACASA-N 0 0 302.371 0.775 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2nccc3ccccc32)C1 ZINC000616662422 417090953 /nfs/dbraw/zinc/09/09/53/417090953.db2.gz HSFHOAKHGWDZLK-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN CCOC(=O)[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616663320 417091677 /nfs/dbraw/zinc/09/16/77/417091677.db2.gz KOYUFHJGCXEECP-LBPRGKRZSA-N 0 0 313.375 0.887 10 0 DCAERN Cn1cc(Br)c(CNC(=O)N[C@@H]2CCOC2)n1 ZINC000393651113 417105498 /nfs/dbraw/zinc/10/54/98/417105498.db2.gz OVNBXHUDWXOBBX-SSDOTTSWSA-N 0 0 303.160 0.771 10 0 DCAERN O=C(Cn1cc2ccccc2n1)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000616770752 417110652 /nfs/dbraw/zinc/11/06/52/417110652.db2.gz IRJRAOWOAWBUJP-SQWLQELKSA-N 0 0 311.345 0.724 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)c1nscc1Br ZINC000404983071 417119860 /nfs/dbraw/zinc/11/98/60/417119860.db2.gz DAASYFMVGCJTLV-ZCFIWIBFSA-N 0 0 304.169 0.996 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2nscc2Br)C1 ZINC000404846929 417120287 /nfs/dbraw/zinc/12/02/87/417120287.db2.gz DXTMEWOIVMFPEK-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2n[nH]c3cc(F)ccc32)C1 ZINC000408056900 417137568 /nfs/dbraw/zinc/13/75/68/417137568.db2.gz NARKHQQJQDTEPY-OAHLLOKOSA-N 0 0 320.324 1.014 10 0 DCAERN CCN1C[C@H](C)N(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000408042021 417137847 /nfs/dbraw/zinc/13/78/47/417137847.db2.gz PHRLYCWESIWJIC-XUXIUFHCSA-N 0 0 319.471 0.755 10 0 DCAERN C[C@H]1C[C@H](C(=O)Nc2n[nH]cc2Br)CC(=O)N1 ZINC000408072157 417136182 /nfs/dbraw/zinc/13/61/82/417136182.db2.gz MOGYRSNXICQZLS-WDSKDSINSA-N 0 0 301.144 1.025 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CCN1C[C@H](C)O ZINC000408427992 417162135 /nfs/dbraw/zinc/16/21/35/417162135.db2.gz AZSGRBAILSVACY-QWHCGFSZSA-N 0 0 305.444 0.104 10 0 DCAERN CC[C@@H]1C[C@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408250046 417149981 /nfs/dbraw/zinc/14/99/81/417149981.db2.gz HFVWPMGAUCMNCM-WDEREUQCSA-N 0 0 303.366 0.777 10 0 DCAERN Cc1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)c(C)n1 ZINC000408269793 417150807 /nfs/dbraw/zinc/15/08/07/417150807.db2.gz LZXUPAYQIGOLNX-UHFFFAOYSA-N 0 0 318.406 1.095 10 0 DCAERN CCC1(CC)CN(C(=O)C2CN(C(C)=O)C2)CCS1(=O)=O ZINC000408290931 417154465 /nfs/dbraw/zinc/15/44/65/417154465.db2.gz MAARZVVUXNIKCX-UHFFFAOYSA-N 0 0 316.423 0.281 10 0 DCAERN CO[C@]1(C)CCCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000408333351 417155702 /nfs/dbraw/zinc/15/57/02/417155702.db2.gz CUPYZVKJGGCKOG-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000408381192 417159195 /nfs/dbraw/zinc/15/91/95/417159195.db2.gz IAWMQOQZUNRDNZ-BXKDBHETSA-N 0 0 323.315 0.704 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O ZINC000526015803 417173618 /nfs/dbraw/zinc/17/36/18/417173618.db2.gz ZIOQAKTZXKCACR-RYUDHWBXSA-N 0 0 307.394 0.515 10 0 DCAERN COC[C@@H]1CCN1C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000568796021 417181634 /nfs/dbraw/zinc/18/16/34/417181634.db2.gz OTZHNXIILXSFKF-MKBNYLNASA-N 0 0 323.393 0.734 10 0 DCAERN COc1ccc(C(=O)C[C@H](C)C(=O)N[C@H]2CNC(=O)C2)cc1 ZINC000450448896 417229994 /nfs/dbraw/zinc/22/99/94/417229994.db2.gz CLNMTOWROIHSDP-CMPLNLGQSA-N 0 0 304.346 0.909 10 0 DCAERN CC1(C)CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@]2(CCOC2)O1 ZINC000527026393 417204555 /nfs/dbraw/zinc/20/45/55/417204555.db2.gz GIDKNJFIFNUYAK-SJKOYZFVSA-N 0 0 322.405 0.794 10 0 DCAERN CSCc1noc(CCC(=O)NC[C@H](O)C(F)(F)F)n1 ZINC000438026947 287366099 /nfs/dbraw/zinc/36/60/99/287366099.db2.gz IGAITUWHQSVOBH-LURJTMIESA-N 0 0 313.301 0.905 10 0 DCAERN CCOc1nc2cc(C(=O)N3CC[C@H](NC(N)=O)C3)ccc2[nH]1 ZINC000450302580 417215462 /nfs/dbraw/zinc/21/54/62/417215462.db2.gz WQQLEXULWMEPFO-JTQLQIEISA-N 0 0 317.349 0.844 10 0 DCAERN Cn1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cn1 ZINC000632671437 417222206 /nfs/dbraw/zinc/22/22/06/417222206.db2.gz OCFULRWLSOCANU-IONNQARKSA-N 0 0 313.301 0.211 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)Nc1n[nH]cc1Br ZINC000408470516 417164454 /nfs/dbraw/zinc/16/44/54/417164454.db2.gz WNXGZSHHCKEULK-MRVPVSSYSA-N 0 0 303.160 0.831 10 0 DCAERN CCS(=O)(=O)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1 ZINC000450742075 417265987 /nfs/dbraw/zinc/26/59/87/417265987.db2.gz ZRSXLEFWOGPWHF-OAHLLOKOSA-N 0 0 324.446 0.997 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(C)(C)O)C1 ZINC000620725667 417268967 /nfs/dbraw/zinc/26/89/67/417268967.db2.gz BEPOMMDYHODTFD-OAHLLOKOSA-N 0 0 305.422 0.690 10 0 DCAERN Cc1c([C@H]2[C@H](NCc3csnn3)CC(=O)N2C)cnn1C ZINC000433592803 417280238 /nfs/dbraw/zinc/28/02/38/417280238.db2.gz IAEUVVBAVMMBSI-YPMHNXCESA-N 0 0 306.395 0.642 10 0 DCAERN COC(=O)c1nc(N2CCS(=O)(=O)[C@@H](C)C2)sc1C ZINC000433760852 417287390 /nfs/dbraw/zinc/28/73/90/417287390.db2.gz YJPSCQDJNKZTSV-ZETCQYMHSA-N 0 0 304.393 0.861 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC000438427633 287370151 /nfs/dbraw/zinc/37/01/51/287370151.db2.gz DJGZLHXBRBITOH-UHFFFAOYSA-N 0 0 308.338 0.305 10 0 DCAERN C[C@@H](O)CCN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000450581304 417238172 /nfs/dbraw/zinc/23/81/72/417238172.db2.gz DXBCICWFFKFBNP-CHWSQXEVSA-N 0 0 318.373 0.754 10 0 DCAERN CCOC(=O)c1cc(C(=O)N2CCN3CCOC[C@H]3C2)[nH]c1C ZINC000450588665 417244596 /nfs/dbraw/zinc/24/45/96/417244596.db2.gz VWXHTPMFXQWOIL-GFCCVEGCSA-N 0 0 321.377 0.656 10 0 DCAERN Cc1cccc2c1O[C@@H](C(=O)N1CCN3CCOC[C@@H]3C1)C2 ZINC000450588822 417245401 /nfs/dbraw/zinc/24/54/01/417245401.db2.gz WPZFXOOQVDSHGV-LSDHHAIUSA-N 0 0 302.374 0.842 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)N2CCCCCC2)CC12COC2 ZINC000451124447 417301030 /nfs/dbraw/zinc/30/10/30/417301030.db2.gz IFAXBHKGKMBXNJ-AWEZNQCLSA-N 0 0 324.421 0.901 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C(C)C)cn1C ZINC000451918088 417415207 /nfs/dbraw/zinc/41/52/07/417415207.db2.gz OXJYAMPOGKFMNA-JQWIXIFHSA-N 0 0 313.423 0.955 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000633423274 417426637 /nfs/dbraw/zinc/42/66/37/417426637.db2.gz YVSBGUYNKJJWHS-NSHDSACASA-N 0 0 304.412 0.327 10 0 DCAERN CN(Cc1cnccn1)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000438787867 287375997 /nfs/dbraw/zinc/37/59/97/287375997.db2.gz WTHKCRRYFGGUJI-UHFFFAOYSA-N 0 0 314.301 0.802 10 0 DCAERN CO[C@H]1COCC[C@@H]1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000452633976 417495483 /nfs/dbraw/zinc/49/54/83/417495483.db2.gz KVEDCEZSNXFCET-YPMHNXCESA-N 0 0 323.393 0.989 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cn2nc(C)cc2C)CC12COC2 ZINC000452227373 417460552 /nfs/dbraw/zinc/46/05/52/417460552.db2.gz LGMOWFYENIJXFR-ZDUSSCGKSA-N 0 0 321.377 0.538 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2nc(C)oc2C)CC12COC2 ZINC000452222621 417460828 /nfs/dbraw/zinc/46/08/28/417460828.db2.gz NBFYMNNECIEBJM-LLVKDONJSA-N 0 0 308.334 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCOCC(F)F)CC12COC2 ZINC000452261021 417462491 /nfs/dbraw/zinc/46/24/91/417462491.db2.gz LAQDNVQGSFUAJI-SNVBAGLBSA-N 0 0 321.320 0.696 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2cc(OC)no2)CC12COC2 ZINC000452267522 417464513 /nfs/dbraw/zinc/46/45/13/417464513.db2.gz VRANXCXYPOJWSW-SECBINFHSA-N 0 0 310.306 0.335 10 0 DCAERN Cn1nc2c(c1NC(=O)CN1CCCC[C@H](O)C1=O)CCC2 ZINC000644344224 417542937 /nfs/dbraw/zinc/54/29/37/417542937.db2.gz RLXLNZHZIGORHZ-LBPRGKRZSA-N 0 0 306.366 0.221 10 0 DCAERN C[C@H](NC(=O)CN1CCOCC[C@@H]1C)C(=O)N1CCCCC1 ZINC000367662225 299053597 /nfs/dbraw/zinc/05/35/97/299053597.db2.gz NRYAWTVPHWJARA-KBPBESRZSA-N 0 0 311.426 0.614 10 0 DCAERN O=C(CSc1n[nH]c(CO)n1)Nc1ccc2c(c1)OCO2 ZINC000576096581 417578254 /nfs/dbraw/zinc/57/82/54/417578254.db2.gz OMWQROUJXUEOIV-UHFFFAOYSA-N 0 0 308.319 0.757 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1CC(C)C1 ZINC000628194498 417588018 /nfs/dbraw/zinc/58/80/18/417588018.db2.gz MMNLHZBWESLZMV-UHFFFAOYSA-N 0 0 311.426 0.958 10 0 DCAERN COCC(COC)NC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000455418684 417603420 /nfs/dbraw/zinc/60/34/20/417603420.db2.gz JBUBSLQDLILQQA-NSHDSACASA-N 0 0 314.304 0.747 10 0 DCAERN Cn1c(=O)ccc2ccc(NC(=O)CN3CCOCC3)cc21 ZINC000576413205 417609453 /nfs/dbraw/zinc/60/94/53/417609453.db2.gz TXCLAOSSWUHZLO-UHFFFAOYSA-N 0 0 301.346 0.809 10 0 DCAERN Cn1cnc(CCNC(=O)Cn2c(=O)[nH]c3ccccc32)n1 ZINC000531274553 417614877 /nfs/dbraw/zinc/61/48/77/417614877.db2.gz ZOWXFBRRSJHWTJ-UHFFFAOYSA-N 0 0 300.322 0.229 10 0 DCAERN C[C@]1(CNC(=O)NCC(=O)NC2CCCCC2)CCC(=O)N1 ZINC000455637009 417614914 /nfs/dbraw/zinc/61/49/14/417614914.db2.gz RYIXEGKTODVZDH-OAHLLOKOSA-N 0 0 310.398 0.403 10 0 DCAERN Cc1sccc1CC(=O)NCCNC(=O)c1cnccn1 ZINC000530331007 417566812 /nfs/dbraw/zinc/56/68/12/417566812.db2.gz MNVMLZZLFYYEFQ-UHFFFAOYSA-N 0 0 304.375 0.935 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000530418133 417573971 /nfs/dbraw/zinc/57/39/71/417573971.db2.gz IVSPQTFPARRDQQ-NWDGAFQWSA-N 0 0 312.391 0.560 10 0 DCAERN O=C(CCCCN1CCOCC1)N1CCN2CCOC[C@H]2C1 ZINC000530433526 417574101 /nfs/dbraw/zinc/57/41/01/417574101.db2.gz DTPXCXXVKRGTBR-OAHLLOKOSA-N 0 0 311.426 0.032 10 0 DCAERN CCOC(=O)CC(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456233104 417637056 /nfs/dbraw/zinc/63/70/56/417637056.db2.gz DHYBHYMRMUYWEP-UHFFFAOYSA-N 0 0 320.345 0.783 10 0 DCAERN CN(Cc1nnnn1C)C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000531812042 417641947 /nfs/dbraw/zinc/64/19/47/417641947.db2.gz CJLSMUPEWIJVBB-UHFFFAOYSA-N 0 0 311.349 0.597 10 0 DCAERN COC(=O)c1cnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)nc1 ZINC000576950047 417650467 /nfs/dbraw/zinc/65/04/67/417650467.db2.gz BONCSUZRBUDHLE-AAEUAGOBSA-N 0 0 306.366 0.420 10 0 DCAERN O=C(NCCN1CCC(O)CC1)C(=O)c1ccc2c(c1)CCC2 ZINC000456587683 417654460 /nfs/dbraw/zinc/65/44/60/417654460.db2.gz NAJWPBQIYURDGT-UHFFFAOYSA-N 0 0 316.401 0.931 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)NCCOCC2CCC2)cc1 ZINC000580466318 417705443 /nfs/dbraw/zinc/70/54/43/417705443.db2.gz VMEDLANFESAONH-UHFFFAOYSA-N 0 0 312.391 0.881 10 0 DCAERN CC(=O)N(CCC(=O)N[C@H]1COCCC1=O)Cc1ccccc1 ZINC000628873542 417709151 /nfs/dbraw/zinc/70/91/51/417709151.db2.gz MVRXFIBFEGCICS-HNNXBMFYSA-N 0 0 318.373 0.899 10 0 DCAERN Cn1cc(Br)c(C(=O)NC[C@@H]2COCCN2C)n1 ZINC000628915809 417719945 /nfs/dbraw/zinc/71/99/45/417719945.db2.gz ZGPBKMNYCILOQQ-MRVPVSSYSA-N 0 0 317.187 0.243 10 0 DCAERN CC[C@H](Oc1ccccc1F)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458130014 417723193 /nfs/dbraw/zinc/72/31/93/417723193.db2.gz FNVZHCRKZANBSE-AAEUAGOBSA-N 0 0 322.340 0.752 10 0 DCAERN Cc1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000458120200 417723654 /nfs/dbraw/zinc/72/36/54/417723654.db2.gz CYSZYEKMTKMJIO-CYBMUJFWSA-N 0 0 304.350 0.451 10 0 DCAERN CC(C)Cc1cc(C(=O)NC[C@H](O)Cn2ccnn2)cc(=O)[nH]1 ZINC000458128510 417724096 /nfs/dbraw/zinc/72/40/96/417724096.db2.gz DKEIVUIAVDAETJ-ZDUSSCGKSA-N 0 0 319.365 0.368 10 0 DCAERN CN1CCOC[C@H]1CNC(=O)c1ccc(Br)cn1 ZINC000628922937 417728244 /nfs/dbraw/zinc/72/82/44/417728244.db2.gz QMGDAVHADBWCTP-SNVBAGLBSA-N 0 0 314.183 0.905 10 0 DCAERN O=C(N[C@H]1CCOc2ccccc21)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646585333 417874269 /nfs/dbraw/zinc/87/42/69/417874269.db2.gz DTGDHUVOVDFSHE-KYEXWDHISA-N 0 0 305.330 0.039 10 0 DCAERN O[C@@H]1CN(c2ccnc(N3CCCCC3)n2)C[C@H]1n1ccnn1 ZINC000631407162 417874345 /nfs/dbraw/zinc/87/43/45/417874345.db2.gz UOJAHWJGKOIQAS-CHWSQXEVSA-N 0 0 315.381 0.481 10 0 DCAERN COC(=O)CN1CCN(c2cncc(OCC(C)C)n2)CC1 ZINC000444418633 287424330 /nfs/dbraw/zinc/42/43/30/287424330.db2.gz KXKBYFXPMKSLOQ-UHFFFAOYSA-N 0 0 308.382 0.806 10 0 DCAERN CCc1nc(C2(NC(=O)[C@H]3CC(=O)N(C)C3)CCCC2)no1 ZINC000175134839 545887028 /nfs/dbraw/zinc/88/70/28/545887028.db2.gz XXSCFIYAQUMJIB-JTQLQIEISA-N 0 0 306.366 0.996 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000459887137 287506360 /nfs/dbraw/zinc/50/63/60/287506360.db2.gz PNGIGBWGMKDLLK-UHFFFAOYSA-N 0 0 307.316 0.561 10 0 DCAERN C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C[C@@H](C)C1 ZINC000407963679 287525078 /nfs/dbraw/zinc/52/50/78/287525078.db2.gz QSJLLJGTNSOYEX-NEPJUHHUSA-N 0 0 303.366 0.786 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)oc1C ZINC000487401401 287536350 /nfs/dbraw/zinc/53/63/50/287536350.db2.gz FAJLOULAZKVUOE-PSASIEDQSA-N 0 0 317.363 0.766 10 0 DCAERN Cn1ncc(Br)c1CNCc1ccc(C(N)=O)nc1 ZINC000487308729 287534222 /nfs/dbraw/zinc/53/42/22/287534222.db2.gz MKSZXRBNTQZSAC-UHFFFAOYSA-N 0 0 324.182 0.966 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(O)cc1 ZINC000488261436 287547899 /nfs/dbraw/zinc/54/78/99/287547899.db2.gz XGFGCIURASBYIU-QWRGUYRKSA-N 0 0 322.361 0.507 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000488281979 287548128 /nfs/dbraw/zinc/54/81/28/287548128.db2.gz JOJOOKPIKXIDFU-DTWKUNHWSA-N 0 0 323.349 0.738 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nncn2C)C1 ZINC000162693702 299846541 /nfs/dbraw/zinc/84/65/41/299846541.db2.gz HOOOXXKMIFPVHR-NWDGAFQWSA-N 0 0 313.427 0.929 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)NC(=O)NCc1ccccc1 ZINC000299359856 229072661 /nfs/dbraw/zinc/07/26/61/229072661.db2.gz UNRPTCWXRVZEEK-UHFFFAOYSA-N 0 0 316.405 0.792 10 0 DCAERN COCCN1C(=O)N[C@@H]2CN(Cc3nc(C)c(C)o3)CC[C@@H]21 ZINC000299744212 229383440 /nfs/dbraw/zinc/38/34/40/229383440.db2.gz NXRSBYNOJKBIOT-OLZOCXBDSA-N 0 0 308.382 0.906 10 0 DCAERN CCC1(CC)CN(CC(=O)N2CCOCC2)CC[S@]1=O ZINC000185270354 261119069 /nfs/dbraw/zinc/11/90/69/261119069.db2.gz WUXOEFAYQNNXBI-HXUWFJFHSA-N 0 0 302.440 0.468 10 0 DCAERN CNC(=O)C1CN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1 ZINC000186180437 261121193 /nfs/dbraw/zinc/12/11/93/261121193.db2.gz YGIUPFPAQVRBDJ-UHFFFAOYSA-N 0 0 320.299 0.969 10 0 DCAERN Cc1ccc2c(c1)nc(CNC(=O)CN1CC(=O)NC1=O)n2C ZINC000186165053 261121225 /nfs/dbraw/zinc/12/12/25/261121225.db2.gz KALCJJLELWKDEN-UHFFFAOYSA-N 0 0 315.333 0.050 10 0 DCAERN CCc1cccc(CC(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000187275172 261122452 /nfs/dbraw/zinc/12/24/52/261122452.db2.gz MUYSAOJCGJEBCB-UHFFFAOYSA-N 0 0 310.419 0.799 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000187203684 261122767 /nfs/dbraw/zinc/12/27/67/261122767.db2.gz NQIDRTYZISXDAP-BDAKNGLRSA-N 0 0 311.304 0.562 10 0 DCAERN C[C@@H](CNC(=O)NCc1cc(C(N)=O)co1)CN1CCOCC1 ZINC000187209960 261123272 /nfs/dbraw/zinc/12/32/72/261123272.db2.gz LWPWNUHDMUMPPC-NSHDSACASA-N 0 0 324.381 0.146 10 0 DCAERN COC(=O)[C@@H](CO)NC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000187832842 261125032 /nfs/dbraw/zinc/12/50/32/261125032.db2.gz PPRVYQZOKBAJHH-CQSZACIVSA-N 0 0 317.345 0.957 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cccc(-n3cncn3)c2)c1 ZINC000187872448 261125071 /nfs/dbraw/zinc/12/50/71/261125071.db2.gz BBLLOQYFYZCFET-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)CCCCOC ZINC000187983693 261126244 /nfs/dbraw/zinc/12/62/44/261126244.db2.gz YIPFWXGKFBTQCL-VIFPVBQESA-N 0 0 307.334 0.988 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)OC ZINC000188366165 261127205 /nfs/dbraw/zinc/12/72/05/261127205.db2.gz VOYAOBPXQANGFF-TUAOUCFPSA-N 0 0 306.428 0.730 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)NCCCn1ccnn1 ZINC000188464132 261127873 /nfs/dbraw/zinc/12/78/73/261127873.db2.gz XEVBCABTRWYPKZ-HNNXBMFYSA-N 0 0 317.393 0.879 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC000188450265 261128118 /nfs/dbraw/zinc/12/81/18/261128118.db2.gz IQTNWZCPDPJURN-GXTWGEPZSA-N 0 0 311.426 0.862 10 0 DCAERN COC(=O)[C@](C)(CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000188549895 261128946 /nfs/dbraw/zinc/12/89/46/261128946.db2.gz FJTAPDZQTTVQEU-BDJLRTHQSA-N 0 0 304.346 0.370 10 0 DCAERN Cc1ccccc1C[C@H](CO)NC(=O)c1cc(C(N)=O)cn1C ZINC000190557431 261134342 /nfs/dbraw/zinc/13/43/42/261134342.db2.gz JEWSIBOWMOTVTD-CQSZACIVSA-N 0 0 315.373 0.766 10 0 DCAERN CC(C)(C)c1nnsc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000191459888 261137044 /nfs/dbraw/zinc/13/70/44/261137044.db2.gz LFBVJJHAKXEXKM-JTQLQIEISA-N 0 0 309.439 0.565 10 0 DCAERN O=C(NCCCN1CCCC1=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000192901607 261139575 /nfs/dbraw/zinc/13/95/75/261139575.db2.gz KBAWTPWABDDYGH-GDBMZVCRSA-N 0 0 317.389 0.956 10 0 DCAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N[C@H](C)C(N)=O ZINC000193065913 261140541 /nfs/dbraw/zinc/14/05/41/261140541.db2.gz OVPRAWADOKCWAB-LLVKDONJSA-N 0 0 306.366 0.827 10 0 DCAERN O[C@H](Cn1nnc(-c2cccc(F)c2)n1)CN1CCOCC1 ZINC000195153676 261150682 /nfs/dbraw/zinc/15/06/82/261150682.db2.gz XYSGZEBUCDJMDI-ZDUSSCGKSA-N 0 0 307.329 0.172 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)NCc2ncccc2O)C1 ZINC000354801976 261273504 /nfs/dbraw/zinc/27/35/04/261273504.db2.gz KDWFIRMROKSTCE-LBPRGKRZSA-N 0 0 306.366 0.845 10 0 DCAERN CC(=O)N(C)Cc1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000356034714 261384948 /nfs/dbraw/zinc/38/49/48/261384948.db2.gz LQRSGMLTMSTBES-UHFFFAOYSA-N 0 0 317.349 0.947 10 0 DCAERN CO[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCOC1 ZINC000356167664 261399047 /nfs/dbraw/zinc/39/90/47/261399047.db2.gz KGGLQSIIZXQMLO-LBPRGKRZSA-N 0 0 300.336 0.078 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000357201536 261514376 /nfs/dbraw/zinc/51/43/76/261514376.db2.gz DFCGPNVLVKBADB-GFCCVEGCSA-N 0 0 303.428 0.516 10 0 DCAERN NC(=O)c1cc(CNC(=O)NCc2ccc3cc[nH]c3n2)on1 ZINC000357872501 261594878 /nfs/dbraw/zinc/59/48/78/261594878.db2.gz ORSQKMYIEZERLW-UHFFFAOYSA-N 0 0 314.305 0.649 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000358539477 261681612 /nfs/dbraw/zinc/68/16/12/261681612.db2.gz FWMMGNUJQBJBEM-CHWSQXEVSA-N 0 0 323.437 0.914 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C(C)C)N2CCCC2=O)[C@H](C)C1 ZINC000358683386 261693233 /nfs/dbraw/zinc/69/32/33/261693233.db2.gz DQAJNBBSZLAFIO-DOMZBBRYSA-N 0 0 309.410 0.713 10 0 DCAERN O=C(NCCn1cccn1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361193751 261904000 /nfs/dbraw/zinc/90/40/00/261904000.db2.gz JGDXHTXLEMVYBO-NSHDSACASA-N 0 0 306.288 0.982 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C)c1C ZINC000361708199 261952636 /nfs/dbraw/zinc/95/26/36/261952636.db2.gz YGTBFJHIBCLPNQ-SCZZXKLOSA-N 0 0 308.338 0.075 10 0 DCAERN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CC(n2ccnn2)C1 ZINC000361909950 261976577 /nfs/dbraw/zinc/97/65/77/261976577.db2.gz WQANVSRMVDEQTM-GFCCVEGCSA-N 0 0 315.308 0.927 10 0 DCAERN O=C([C@@H]1CC[C@@H](C(F)(F)F)NC1=O)N1CC(n2ccnn2)C1 ZINC000361926060 261978545 /nfs/dbraw/zinc/97/85/45/261978545.db2.gz VBHCGQJCNLWADZ-BDAKNGLRSA-N 0 0 317.271 0.119 10 0 DCAERN Cc1c(NC(=O)C(=O)N2CC(CC(N)=O)C2)cccc1N(C)C ZINC000362286632 262018804 /nfs/dbraw/zinc/01/88/04/262018804.db2.gz RGYQUDNRDASUNT-UHFFFAOYSA-N 0 0 318.377 0.333 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362818164 262075634 /nfs/dbraw/zinc/07/56/34/262075634.db2.gz SBAPWXRGCDIPBP-MNOVXSKESA-N 0 0 307.350 0.780 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC(C)(C)OC[C@@H]2C)C1 ZINC000362837150 262078687 /nfs/dbraw/zinc/07/86/87/262078687.db2.gz ANMANZSEDGGCAO-RYUDHWBXSA-N 0 0 312.414 0.999 10 0 DCAERN C[C@](O)(C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CCC1 ZINC000362873781 262082814 /nfs/dbraw/zinc/08/28/14/262082814.db2.gz IULSQSFNBRYNDO-XJKSGUPXSA-N 0 0 310.394 0.434 10 0 DCAERN COc1ccc(CC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)nc1 ZINC000363750057 262129275 /nfs/dbraw/zinc/12/92/75/262129275.db2.gz JHSFTSHDMHVSLW-AWEZNQCLSA-N 0 0 315.377 0.871 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCN4CCOC[C@H]4C3)nc12 ZINC000363794085 262130183 /nfs/dbraw/zinc/13/01/83/262130183.db2.gz KJKTXCBYOCSXLA-OAHLLOKOSA-N 0 0 314.389 0.519 10 0 DCAERN NC(=O)[C@@]1(O)CCN(c2ncc(Br)cc2Cl)C1 ZINC000373369550 271216766 /nfs/dbraw/zinc/21/67/66/271216766.db2.gz OEPVTUIESBZEQW-SNVBAGLBSA-N 0 0 320.574 0.924 10 0 DCAERN CNC(=O)c1ccc(CNC(=O)NC[C@H](CO)C2CC2)cc1 ZINC000358551061 271056969 /nfs/dbraw/zinc/05/69/69/271056969.db2.gz XWDDIRXPQHZVMF-CQSZACIVSA-N 0 0 305.378 0.864 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)NC[C@@H](CO)C1CC1 ZINC000359153337 271100033 /nfs/dbraw/zinc/10/00/33/271100033.db2.gz YETVCMOZJXMSQH-BFHYXJOUSA-N 0 0 316.398 0.125 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)NC[C@H](CO)C1CC1 ZINC000359153341 271100795 /nfs/dbraw/zinc/10/07/95/271100795.db2.gz YETVCMOZJXMSQH-MGPQQGTHSA-N 0 0 316.398 0.125 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N(C)C[C@@H]2CCOC2)n1 ZINC000359239707 271110974 /nfs/dbraw/zinc/11/09/74/271110974.db2.gz OCUNJKJWJNIUEO-LBPRGKRZSA-N 0 0 321.377 0.244 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](O)COCC1CC1 ZINC000359562153 271126108 /nfs/dbraw/zinc/12/61/08/271126108.db2.gz XHAIOVKYDNSETF-WFASDCNBSA-N 0 0 320.389 0.709 10 0 DCAERN COCCCNC(=O)C1CCN([C@H](C(=O)OC)C2CC2)CC1 ZINC000359596694 271129151 /nfs/dbraw/zinc/12/91/51/271129151.db2.gz NCLBNFCCNCEKBP-AWEZNQCLSA-N 0 0 312.410 0.803 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000359610276 271132120 /nfs/dbraw/zinc/13/21/20/271132120.db2.gz MMKOWSLYAARYDB-CMPLNLGQSA-N 0 0 304.412 0.199 10 0 DCAERN COC(=O)[C@@H](C)CC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361007886 271170254 /nfs/dbraw/zinc/17/02/54/271170254.db2.gz IMFNBYMNJRZVEV-LBPRGKRZSA-N 0 0 321.377 0.734 10 0 DCAERN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1F)S(N)(=O)=O ZINC000361047466 271174689 /nfs/dbraw/zinc/17/46/89/271174689.db2.gz YFCHYTJIYOEVOG-ZETCQYMHSA-N 0 0 310.372 0.318 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NC[C@@H](CO)[C@H]2CCOC2)cn1 ZINC000361267132 271175952 /nfs/dbraw/zinc/17/59/52/271175952.db2.gz QPZPMKDKQGULJX-AAEUAGOBSA-N 0 0 323.393 0.582 10 0 DCAERN CNC(=O)[C@H]1CCN(c2ncc(Br)c(OC)n2)C1 ZINC000398559720 271218306 /nfs/dbraw/zinc/21/83/06/271218306.db2.gz LJANRSFYZLRLPU-ZETCQYMHSA-N 0 0 315.171 0.820 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)CC2)n1 ZINC000439473120 271638575 /nfs/dbraw/zinc/63/85/75/271638575.db2.gz VHPMCYFQRRUKFS-CHWSQXEVSA-N 0 0 308.382 0.573 10 0 DCAERN CN(CCCO)C(=O)NCCCc1nnc2n1CCCCC2 ZINC000441882365 271660720 /nfs/dbraw/zinc/66/07/20/271660720.db2.gz JYJHKQWBIGWWQA-UHFFFAOYSA-N 0 0 309.414 0.961 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2ccnc(OC)n2)CC12COC2 ZINC000449356214 271851805 /nfs/dbraw/zinc/85/18/05/271851805.db2.gz BANOOWKMNXUOQM-GFCCVEGCSA-N 0 0 307.350 0.497 10 0 DCAERN CCOC(=O)[C@H]1CN([C@@H](C(N)=O)c2ccccc2)CC12COC2 ZINC000451135382 271889708 /nfs/dbraw/zinc/88/97/08/271889708.db2.gz MLJMJMTUVKFQEE-ZIAGYGMSSA-N 0 0 318.373 0.725 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000451310293 271894212 /nfs/dbraw/zinc/89/42/12/271894212.db2.gz FVYRDWODZOHLPY-NEPJUHHUSA-N 0 0 306.428 0.541 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2CCC(O)CC2)CC12COC2 ZINC000452254610 271912494 /nfs/dbraw/zinc/91/24/94/271912494.db2.gz GATOVTNZQWQBER-BPCQOVAHSA-N 0 0 311.378 0.576 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458129153 271943351 /nfs/dbraw/zinc/94/33/51/271943351.db2.gz DVXAHSNDWWVLNH-CYBMUJFWSA-N 0 0 304.350 0.858 10 0 DCAERN C[C@@H](O)[C@@H](CO)NC(=O)NCCc1cn(C)c2cc(F)ccc12 ZINC000458679570 271967837 /nfs/dbraw/zinc/96/78/37/271967837.db2.gz QYAQPBWJXZZGGC-QMTHXVAHSA-N 0 0 323.368 0.901 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cc(COC)on2)CC12COC2 ZINC000459562244 272001175 /nfs/dbraw/zinc/00/11/75/272001175.db2.gz FQFNJPPGMFZSMZ-ZDUSSCGKSA-N 0 0 310.350 0.833 10 0 DCAERN CCNC(=O)C(C)(C)NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000459601505 272001698 /nfs/dbraw/zinc/00/16/98/272001698.db2.gz XHVZSIRZLITSTN-UHFFFAOYSA-N 0 0 307.350 0.858 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C(C)C)c1 ZINC000479497472 272035978 /nfs/dbraw/zinc/03/59/78/272035978.db2.gz FRVKPHLCVNBKHM-GFCCVEGCSA-N 0 0 300.380 0.341 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CO[C@@H](C)c1nccn1C ZINC000487033909 272036568 /nfs/dbraw/zinc/03/65/68/272036568.db2.gz MQRUSNYALGEGKJ-STQMWFEESA-N 0 0 309.366 0.704 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCSCC1 ZINC000487109550 272038386 /nfs/dbraw/zinc/03/83/86/272038386.db2.gz HQAXBFJJWWEGCI-UWVGGRQHSA-N 0 0 316.423 0.702 10 0 DCAERN CCNC(=O)[C@H](C)NC(=O)NCCCc1nnc2ccccn21 ZINC000489263973 272059348 /nfs/dbraw/zinc/05/93/48/272059348.db2.gz LOBCRVHOEWZLCJ-NSHDSACASA-N 0 0 318.381 0.486 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NC[C@H](O)C(F)F)c1 ZINC000489612354 272064841 /nfs/dbraw/zinc/06/48/41/272064841.db2.gz RNLTUQXYOWDROL-NSHDSACASA-N 0 0 315.320 0.514 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2cc(C)nc(OC)n2)CC1 ZINC000489954561 272067321 /nfs/dbraw/zinc/06/73/21/272067321.db2.gz PNSSMIZHKWRFFO-UHFFFAOYSA-N 0 0 308.382 0.867 10 0 DCAERN COc1ccsc1S(=O)(=O)N1CC2(C1)CN(C)C(=O)O2 ZINC000496907513 272353349 /nfs/dbraw/zinc/35/33/49/272353349.db2.gz GNIMGHMQRGMBOS-UHFFFAOYSA-N 0 0 318.376 0.582 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NC[C@@H]1COCCO1 ZINC000519798799 272510920 /nfs/dbraw/zinc/51/09/20/272510920.db2.gz JKJWFYDJHUHDNB-CHWSQXEVSA-N 0 0 322.361 0.931 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2[C@H](C)C[C@@H]2C)CC1 ZINC000525921004 272582840 /nfs/dbraw/zinc/58/28/40/272582840.db2.gz RBNUKEVSASOHQY-TXEJJXNPSA-N 0 0 310.398 0.260 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000532845298 272797230 /nfs/dbraw/zinc/79/72/30/272797230.db2.gz QRZPHYOFOZOJOI-RTXFEEFZSA-N 0 0 320.397 0.699 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528467430 287713061 /nfs/dbraw/zinc/71/30/61/287713061.db2.gz VXRPIAAQRFMYIY-QWRGUYRKSA-N 0 0 319.810 0.870 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C)C(=O)C1)c1ccc(F)cc1 ZINC000530751877 287757196 /nfs/dbraw/zinc/75/71/96/287757196.db2.gz RYWYHGYMOMZMOT-ZDUSSCGKSA-N 0 0 309.341 0.997 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000531554226 287781382 /nfs/dbraw/zinc/78/13/82/287781382.db2.gz RMOYIWXOOCBBRR-LLVKDONJSA-N 0 0 302.338 0.355 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)NCc2ccc3c(c2)COC3)C1 ZINC000534260673 287807122 /nfs/dbraw/zinc/80/71/22/287807122.db2.gz LQJLVAIAWDCFRJ-CYBMUJFWSA-N 0 0 304.350 0.669 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)CSC[C@H]2CCCCO2)C1 ZINC000535713089 287837397 /nfs/dbraw/zinc/83/73/97/287837397.db2.gz DIBZEKPXBBUIGY-GHMZBOCLSA-N 0 0 301.412 0.558 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000151520237 275900161 /nfs/dbraw/zinc/90/01/61/275900161.db2.gz DEKSKLPUHYRHKO-STQMWFEESA-N 0 0 319.471 0.839 10 0 DCAERN CCCOC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 ZINC000091301329 276018701 /nfs/dbraw/zinc/01/87/01/276018701.db2.gz KXSOZSJFADAYID-NHYWBVRUSA-N 0 0 322.292 0.965 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@@H]2CCCCN2C(C)=O)CC1 ZINC000408071599 276526407 /nfs/dbraw/zinc/52/64/07/276526407.db2.gz CLMZZLJZJBSAHH-GJZGRUSLSA-N 0 0 311.426 0.303 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCSC[C@@H]3CCO)cnc21 ZINC000541720908 287924672 /nfs/dbraw/zinc/92/46/72/287924672.db2.gz DOUDNOKHMZLGEF-JTQLQIEISA-N 0 0 307.379 0.303 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000364744751 277044000 /nfs/dbraw/zinc/04/40/00/277044000.db2.gz KTBBSDYTZDDPFL-OWCLPIDISA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cn2cccn2)C1 ZINC000330566877 277048948 /nfs/dbraw/zinc/04/89/48/277048948.db2.gz LDVLQMXUDFZODD-GHMZBOCLSA-N 0 0 318.299 0.941 10 0 DCAERN CN1CC[C@H]2OCCN(S(=O)(=O)c3cncc(F)c3)[C@@H]2C1 ZINC000408026387 277180726 /nfs/dbraw/zinc/18/07/26/277180726.db2.gz DQVXGUCGUPALQR-CHWSQXEVSA-N 0 0 315.370 0.314 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)[C@H]2CCCCS2(=O)=O)n1 ZINC000543430039 287957604 /nfs/dbraw/zinc/95/76/04/287957604.db2.gz YHPIIEUPVDQHAS-SECBINFHSA-N 0 0 300.384 0.939 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1=O ZINC000187187283 277401546 /nfs/dbraw/zinc/40/15/46/277401546.db2.gz SEYLPOVMDQSIIY-LBPRGKRZSA-N 0 0 320.397 0.103 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000328766882 278068443 /nfs/dbraw/zinc/06/84/43/278068443.db2.gz HKOORNYRFIKUCS-XHSDSOJGSA-N 0 0 318.373 0.568 10 0 DCAERN O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546143666 288016265 /nfs/dbraw/zinc/01/62/65/288016265.db2.gz WJMOBELUDAZEDH-BDAKNGLRSA-N 0 0 316.308 0.510 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)C1CCCC1 ZINC000172766484 278156991 /nfs/dbraw/zinc/15/69/91/278156991.db2.gz XLFXZTXVESMUIK-HOTGVXAUSA-N 0 0 323.437 0.614 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000546731818 288028712 /nfs/dbraw/zinc/02/87/12/288028712.db2.gz RGKHGAZLFHSYKB-OLZOCXBDSA-N 0 0 315.439 0.802 10 0 DCAERN Cn1ccnc1[C@H](NC(=O)N1CC(=O)N(C)C1)c1ccccc1 ZINC000546616556 288022068 /nfs/dbraw/zinc/02/20/68/288022068.db2.gz ZPTMKYSQELYJJW-CQSZACIVSA-N 0 0 313.361 0.951 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)N2CC[C@H](CO)[C@@H](O)C2)cn1 ZINC000546693212 288026102 /nfs/dbraw/zinc/02/61/02/288026102.db2.gz AMNKJTWSDJDORA-PWSUYJOCSA-N 0 0 309.366 0.023 10 0 DCAERN C[C@H](C(=O)Nc1ccc(N2CCC2=O)cc1)N1C(=O)CCC1=O ZINC000546698638 288026928 /nfs/dbraw/zinc/02/69/28/288026928.db2.gz BEOKHBDZKBAMTI-SNVBAGLBSA-N 0 0 315.329 0.899 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC000546856294 288032741 /nfs/dbraw/zinc/03/27/41/288032741.db2.gz KZFYJLJGZSADSG-LBPRGKRZSA-N 0 0 305.382 0.881 10 0 DCAERN CC1(C)CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](CO)O1 ZINC000253141859 278336003 /nfs/dbraw/zinc/33/60/03/278336003.db2.gz XJOUARHNFFRKKX-CHWSQXEVSA-N 0 0 320.455 0.130 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000158948658 278380774 /nfs/dbraw/zinc/38/07/74/278380774.db2.gz RRRKAJYIZZAJCO-ONGXEEELSA-N 0 0 316.361 0.593 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC(=O)N1C ZINC000282320551 288039373 /nfs/dbraw/zinc/03/93/73/288039373.db2.gz JQWOEMNAWREXBX-SECBINFHSA-N 0 0 303.318 0.320 10 0 DCAERN CNS(=O)(=O)c1cccc(CNc2ccncc2C#N)c1 ZINC000547503440 288053408 /nfs/dbraw/zinc/05/34/08/288053408.db2.gz YATPQVAKFBHSRG-UHFFFAOYSA-N 0 0 302.359 0.895 10 0 DCAERN N#Cc1cnccc1NCCNS(=O)(=O)c1cccnc1 ZINC000547511795 288053702 /nfs/dbraw/zinc/05/37/02/288053702.db2.gz VFEATSLIECWAFA-UHFFFAOYSA-N 0 0 303.347 0.161 10 0 DCAERN CCO[C@@H]1C[C@@](NC(=O)Cc2cncn2C)(C(=O)OC)C1(C)C ZINC000547728974 288073314 /nfs/dbraw/zinc/07/33/14/288073314.db2.gz MICVPVXPTLALSS-MLGOLLRUSA-N 0 0 323.393 0.826 10 0 DCAERN COc1c(CNC(=O)CN2CCOCC2=O)oc2ccccc21 ZINC000547735697 288073850 /nfs/dbraw/zinc/07/38/50/288073850.db2.gz AQADMBMNLUQMJA-UHFFFAOYSA-N 0 0 318.329 0.916 10 0 DCAERN Cc1ccc(NC(=O)C2(C(=O)N(C)C)CC2)cc1-n1cnnn1 ZINC000547754726 288075714 /nfs/dbraw/zinc/07/57/14/288075714.db2.gz NRWBXVPIUIXONT-UHFFFAOYSA-N 0 0 314.349 0.778 10 0 DCAERN CN(C)C(=O)C1(C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000547757998 288076253 /nfs/dbraw/zinc/07/62/53/288076253.db2.gz BCLHTLWKCZOQKD-UHFFFAOYSA-N 0 0 309.410 0.764 10 0 DCAERN COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cnc3n2CCC3)C1 ZINC000547801691 288080713 /nfs/dbraw/zinc/08/07/13/288080713.db2.gz JDJSGOYDMQPICW-ZDUSSCGKSA-N 0 0 313.379 0.403 10 0 DCAERN Cc1cnc(N2C[C@@H]3[C@H](C2)OCCN3c2ncc(F)cn2)nc1 ZINC000096248846 279016891 /nfs/dbraw/zinc/01/68/91/279016891.db2.gz QTQAVEOFDUPOCG-OLZOCXBDSA-N 0 0 316.340 0.808 10 0 DCAERN CC(C)C[C@H](C)OCCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000152389076 279116740 /nfs/dbraw/zinc/11/67/40/279116740.db2.gz PTSAXFXLLPYORJ-NSHDSACASA-N 0 0 311.382 0.864 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000188892914 279201747 /nfs/dbraw/zinc/20/17/47/279201747.db2.gz YIFMIQHAVVDLRG-OLZOCXBDSA-N 0 0 317.455 0.810 10 0 DCAERN Cn1ccc(CNC(=O)N2CCC(Cn3cncn3)CC2)n1 ZINC000548279674 288127946 /nfs/dbraw/zinc/12/79/46/288127946.db2.gz GRKXIFXWCXNMKW-UHFFFAOYSA-N 0 0 303.370 0.633 10 0 DCAERN CCN1CCN([C@@H]2CCN(C(=O)c3c[nH]cc(C)c3=O)C2)CC1 ZINC000408168426 279368858 /nfs/dbraw/zinc/36/88/58/279368858.db2.gz IYZWYMHLZFVGHJ-CQSZACIVSA-N 0 0 318.421 0.535 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)C(=O)[C@H]1CCCCC(=O)N1 ZINC000194404272 279437214 /nfs/dbraw/zinc/43/72/14/279437214.db2.gz MITPONQYOJKSKO-LLVKDONJSA-N 0 0 304.412 0.327 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCOCC1=O ZINC000548392432 288139338 /nfs/dbraw/zinc/13/93/38/288139338.db2.gz CFXQRADCYQKBNB-CQSZACIVSA-N 0 0 304.346 0.162 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000548419746 288141035 /nfs/dbraw/zinc/14/10/35/288141035.db2.gz MYJPQSWXCGMULI-LBPRGKRZSA-N 0 0 317.393 0.430 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCSC2)CC12COC2 ZINC000454574444 279620633 /nfs/dbraw/zinc/62/06/33/279620633.db2.gz BKGBAIJCWXPCKS-GHMZBOCLSA-N 0 0 314.407 0.713 10 0 DCAERN CN(CCn1cccn1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548666260 288165185 /nfs/dbraw/zinc/16/51/85/288165185.db2.gz ZPKNEBLAQHAODL-TZMCWYRMSA-N 0 0 303.366 0.853 10 0 DCAERN CCS(=O)(=O)N(C)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000120314956 280006825 /nfs/dbraw/zinc/00/68/25/280006825.db2.gz ZXKJSEYTJGMUFM-ZDUSSCGKSA-N 0 0 317.455 0.401 10 0 DCAERN Cc1cc(=O)c(C(=O)NCC(=O)NC2CCCCC2)cn1C ZINC000549750800 288203178 /nfs/dbraw/zinc/20/31/78/288203178.db2.gz KLJQYWSTBNMFQK-UHFFFAOYSA-N 0 0 305.378 0.872 10 0 DCAERN CC(C)[C@H](C(=O)N1CCN(CCO)[C@H](C)C1)N1CCCC1=O ZINC000188734078 280151128 /nfs/dbraw/zinc/15/11/28/280151128.db2.gz VUZHWRCUSSCGID-UKRRQHHQSA-N 0 0 311.426 0.158 10 0 DCAERN CC(C)[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCCS1(=O)=O ZINC000131348224 280163081 /nfs/dbraw/zinc/16/30/81/280163081.db2.gz AKTHGTITGPNUFR-JHJVBQTASA-N 0 0 318.439 0.682 10 0 DCAERN O=C(c1cc(F)cc2n[nH]nc21)N1CCO[C@]2(CCOC2)C1 ZINC000282745172 280166075 /nfs/dbraw/zinc/16/60/75/280166075.db2.gz NOXGDXFPKJHNOT-CQSZACIVSA-N 0 0 306.297 0.729 10 0 DCAERN O=C(c1ccc(Br)o1)N1CCN2C(=O)N=NC2C1 ZINC000408222960 280180970 /nfs/dbraw/zinc/18/09/70/280180970.db2.gz GRQSRWNLJOSAHZ-UHFFFAOYSA-N 0 0 313.111 0.995 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CC[C@H](N2CCOCC2)C1 ZINC000187697127 280196284 /nfs/dbraw/zinc/19/62/84/280196284.db2.gz PADOKYVAXIJAJD-AWEZNQCLSA-N 0 0 315.373 0.728 10 0 DCAERN Cc1cc(C(=O)N2CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000407979654 280321181 /nfs/dbraw/zinc/32/11/81/280321181.db2.gz DMGDOQZARCOSQR-UHFFFAOYSA-N 0 0 302.334 0.033 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCOCC2(CC2)C1 ZINC000408174114 280330398 /nfs/dbraw/zinc/33/03/98/280330398.db2.gz GXTINVZXEGATGQ-NSHDSACASA-N 0 0 304.412 0.199 10 0 DCAERN CC1(C)C[S@](=O)CCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000551985876 288255206 /nfs/dbraw/zinc/25/52/06/288255206.db2.gz ORFHMHVGPFXSRR-MTJIALIYSA-N 0 0 305.440 0.386 10 0 DCAERN O=C(Cc1cncnc1)N1CCN(c2cncc(F)c2)CC1 ZINC000552000399 288257660 /nfs/dbraw/zinc/25/76/60/288257660.db2.gz XBJRITWEMLIZEQ-UHFFFAOYSA-N 0 0 301.325 0.902 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552723486 288279652 /nfs/dbraw/zinc/27/96/52/288279652.db2.gz LUZCVCAGRNKAQV-OAHLLOKOSA-N 0 0 320.349 0.177 10 0 DCAERN CN1CCC[C@H](NC(=O)C(=O)Nc2ccc3nccn3c2)C1=O ZINC000552741969 288279997 /nfs/dbraw/zinc/27/99/97/288279997.db2.gz KFPQIXREAHLGTB-NSHDSACASA-N 0 0 315.333 0.010 10 0 DCAERN CC[C@H]1C(=O)NCCN1Cc1c(Br)cnn1C ZINC000278465905 281033026 /nfs/dbraw/zinc/03/30/26/281033026.db2.gz PSEKWQAXTVXBOJ-VIFPVBQESA-N 0 0 301.188 0.893 10 0 DCAERN C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553082625 288286208 /nfs/dbraw/zinc/28/62/08/288286208.db2.gz JOLAPDUUCPENMZ-GHMZBOCLSA-N 0 0 304.350 0.796 10 0 DCAERN CC1(C)CN(C(=O)C(=O)NCC2CC2)C[C@]2(CCCOC2)O1 ZINC000408002258 281150717 /nfs/dbraw/zinc/15/07/17/281150717.db2.gz DKBUOMVMGKXXEK-INIZCTEOSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(NCCOCC1CCC1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000554091958 288313134 /nfs/dbraw/zinc/31/31/34/288313134.db2.gz GFZAWQAEOHJFAF-ZDUSSCGKSA-N 0 0 318.439 0.927 10 0 DCAERN C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)S1 ZINC000194200584 288315178 /nfs/dbraw/zinc/31/51/78/288315178.db2.gz COQBVFJWNJUGKB-NEPJUHHUSA-N 0 0 324.450 0.681 10 0 DCAERN CN(CCCO)C(=O)C(=O)NCCOC1CCCCCC1 ZINC000554225602 288315467 /nfs/dbraw/zinc/31/54/67/288315467.db2.gz QWEZIMOQCNFVAC-UHFFFAOYSA-N 0 0 300.399 0.683 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000554521531 288325786 /nfs/dbraw/zinc/32/57/86/288325786.db2.gz DOTNAEHRPUOOMA-YPMHNXCESA-N 0 0 310.398 0.117 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cn1 ZINC000554569489 288329532 /nfs/dbraw/zinc/32/95/32/288329532.db2.gz LSTFBCGAAHWPLS-LBPRGKRZSA-N 0 0 320.393 0.849 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132553715 281880283 /nfs/dbraw/zinc/88/02/83/281880283.db2.gz SPYURWHFPUUJSO-RWMBFGLXSA-N 0 0 309.410 0.938 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000408023184 281933385 /nfs/dbraw/zinc/93/33/85/281933385.db2.gz YBJPAFLACAEMCV-HBNTYKKESA-N 0 0 313.423 0.410 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000265860154 288378347 /nfs/dbraw/zinc/37/83/47/288378347.db2.gz GIZPYWMHCWOUHZ-DTORHVGOSA-N 0 0 318.333 0.284 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOCC23CCCCC3)CC1 ZINC000556336674 288374972 /nfs/dbraw/zinc/37/49/72/288374972.db2.gz GMWOTLFKJNWLEJ-UHFFFAOYSA-N 0 0 323.437 0.712 10 0 DCAERN O=C(CN1CCCNC1=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000556747414 288390363 /nfs/dbraw/zinc/39/03/63/288390363.db2.gz NVUXJWZYOJKKGC-LLVKDONJSA-N 0 0 319.365 0.678 10 0 DCAERN CN(CCC(=O)N1CCOc2ccccc21)Cc1nnnn1C ZINC000556763099 288391877 /nfs/dbraw/zinc/39/18/77/288391877.db2.gz RIAJMCXTFTXREL-UHFFFAOYSA-N 0 0 316.365 0.458 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)NCCOCC1CCC1 ZINC000556973016 288405117 /nfs/dbraw/zinc/40/51/17/288405117.db2.gz LXQOFEPAUYLYNY-UHFFFAOYSA-N 0 0 315.395 0.219 10 0 DCAERN CC(C)(C)CCCNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000557616188 288426064 /nfs/dbraw/zinc/42/60/64/288426064.db2.gz AJRBUDNJFSROHI-ZDUSSCGKSA-N 0 0 311.426 0.472 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CN2C(=O)N[C@H](CC3CC3)C2=O)O1 ZINC000564770660 288766384 /nfs/dbraw/zinc/76/63/84/288766384.db2.gz GSWQUBSAMDCHSG-UTUOFQBUSA-N 0 0 309.366 0.343 10 0 DCAERN COCC1(NC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000565283524 288840511 /nfs/dbraw/zinc/84/05/11/288840511.db2.gz GIYRTMMEDWCYKP-UHFFFAOYSA-N 0 0 317.345 0.657 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000407960914 289001926 /nfs/dbraw/zinc/00/19/26/289001926.db2.gz YPUWFTMNQOFPAX-XHBSWPGZSA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCc2nncn2C1 ZINC000329101086 289047103 /nfs/dbraw/zinc/04/71/03/289047103.db2.gz DWTQTIARIAKPEC-MGPQQGTHSA-N 0 0 319.409 0.162 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)n1 ZINC000188075027 292738663 /nfs/dbraw/zinc/73/86/63/292738663.db2.gz RVRLWVBOFOXTAC-VHDGCEQUSA-N 0 0 323.393 0.938 10 0 DCAERN CN(CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)S(C)(=O)=O ZINC000113894832 289458361 /nfs/dbraw/zinc/45/83/61/289458361.db2.gz KVGVOACJXIUPMU-LLVKDONJSA-N 0 0 300.384 0.355 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000329269703 289796176 /nfs/dbraw/zinc/79/61/76/289796176.db2.gz FHBCFASIDGCWCE-MLGOLLRUSA-N 0 0 310.394 0.794 10 0 DCAERN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000186196049 292833619 /nfs/dbraw/zinc/83/36/19/292833619.db2.gz INXVSWHMJQMMBS-LBPRGKRZSA-N 0 0 312.329 0.716 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2S(=O)(=O)c2cnnn2C)[nH]1 ZINC000328661196 293367344 /nfs/dbraw/zinc/36/73/44/293367344.db2.gz ACJNBVMOMAFETL-VIFPVBQESA-N 0 0 311.371 0.158 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000247329766 297054101 /nfs/dbraw/zinc/05/41/01/297054101.db2.gz GVFVSOVKDNBCSW-SYQHCUMBSA-N 0 0 318.439 0.841 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2cc(Br)ccn2)C1 ZINC000284588797 295140282 /nfs/dbraw/zinc/14/02/82/295140282.db2.gz KBAVQDISBMENPG-LLVKDONJSA-N 0 0 300.156 0.661 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc(-c2ncon2)cc1 ZINC000091782945 295158734 /nfs/dbraw/zinc/15/87/34/295158734.db2.gz YANFNOOWUKIAIW-LLVKDONJSA-N 0 0 302.290 0.063 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2C[C@H](F)C[C@H]2C(N)=O)C1 ZINC000408030455 297231475 /nfs/dbraw/zinc/23/14/75/297231475.db2.gz KZCJRVFRUYGBSN-DBIOUOCHSA-N 0 0 307.391 0.107 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)O1 ZINC000407967160 297386282 /nfs/dbraw/zinc/38/62/82/297386282.db2.gz PAUAULUQJOTMLQ-FPYNETTCSA-N 0 0 318.439 0.777 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@H](N2CCCC2)C1)S(C)(=O)=O ZINC000107526463 298022951 /nfs/dbraw/zinc/02/29/51/298022951.db2.gz GNFYNFGRKFCKQS-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173941956 298147897 /nfs/dbraw/zinc/14/78/97/298147897.db2.gz UZTAUMJQGHALPV-MNOVXSKESA-N 0 0 309.332 0.460 10 0 DCAERN C[C@H]1CN(CC(=O)NC2CCCCCC2)CCS1(=O)=O ZINC000408201277 300240257 /nfs/dbraw/zinc/24/02/57/300240257.db2.gz HLYJMJZBYKZMFJ-LBPRGKRZSA-N 0 0 302.440 0.944 10 0 DCAERN Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O ZINC000408118701 300969074 /nfs/dbraw/zinc/96/90/74/300969074.db2.gz WCGHKADOLJZQGE-JTQLQIEISA-N 0 0 302.327 0.009 10 0 DCAERN O=c1cnc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3O)ccc2[nH]1 ZINC000294162444 304765770 /nfs/dbraw/zinc/76/57/70/304765770.db2.gz INWMIFXKTIIVGY-WCQYABFASA-N 0 0 323.374 0.917 10 0 DCAERN Cc1nc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(=O)[nH]c1C ZINC000159270995 302552827 /nfs/dbraw/zinc/55/28/27/302552827.db2.gz PRTHSGCNEZNEAE-QWRGUYRKSA-N 0 0 309.391 0.733 10 0 DCAERN Cn1cnnc1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000164082116 303033486 /nfs/dbraw/zinc/03/34/86/303033486.db2.gz JHYZDGDDCQMFDK-SNVBAGLBSA-N 0 0 309.395 0.845 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1S(=O)(=O)CCC1(C)CC1 ZINC000329826819 303102162 /nfs/dbraw/zinc/10/21/62/303102162.db2.gz IPGQPEWEMXXZEG-NSHDSACASA-N 0 0 314.411 0.708 10 0 DCAERN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc2C1=O ZINC000333772403 303265582 /nfs/dbraw/zinc/26/55/82/303265582.db2.gz YFGVDQIAMVIXBP-OLZOCXBDSA-N 0 0 301.346 0.843 10 0 DCAERN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000408256624 303291044 /nfs/dbraw/zinc/29/10/44/303291044.db2.gz OIVJTVSESNGXQF-WOPDTQHZSA-N 0 0 320.397 0.846 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1CCO[C@]2(CCOC2)C1 ZINC000332717272 332857301 /nfs/dbraw/zinc/85/73/01/332857301.db2.gz HUSBYXIYTCJATQ-SWLSCSKDSA-N 0 0 323.393 0.389 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000170705318 332868885 /nfs/dbraw/zinc/86/88/85/332868885.db2.gz DQAPHJAAKKBPMJ-GXSJLCMTSA-N 0 0 304.350 0.903 10 0 DCAERN CO[C@H]1C[C@@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C1(C)C ZINC000332794195 332872842 /nfs/dbraw/zinc/87/28/42/332872842.db2.gz OTVDESAGYLBZIY-QCNOEVLYSA-N 0 0 309.370 0.331 10 0 DCAERN Cc1cccc2c1OC[C@@H](NC(=O)N(C)[C@@H]1CCNC1=O)C2 ZINC000332872063 332890301 /nfs/dbraw/zinc/89/03/01/332890301.db2.gz NUALTIZPZYJPDJ-QWHCGFSZSA-N 0 0 303.362 0.828 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000332891157 332897992 /nfs/dbraw/zinc/89/79/92/332897992.db2.gz UKBKEZIWIRKOMH-QWRGUYRKSA-N 0 0 313.423 0.423 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccon1 ZINC000186191578 332917249 /nfs/dbraw/zinc/91/72/49/332917249.db2.gz XSFPEZZMUZUEBQ-SNVBAGLBSA-N 0 0 308.338 0.473 10 0 DCAERN COCCN1CN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1=O ZINC000580217628 333017488 /nfs/dbraw/zinc/01/74/88/333017488.db2.gz UOHQTURNAAZHMQ-JTQLQIEISA-N 0 0 309.370 0.107 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)NCC3(CCO)CC3)cc12 ZINC000188949897 333059278 /nfs/dbraw/zinc/05/92/78/333059278.db2.gz RVBWHIBUHQTBIW-UHFFFAOYSA-N 0 0 324.406 0.718 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3cncnc3C2)C1(C)C ZINC000580298500 333073604 /nfs/dbraw/zinc/07/36/04/333073604.db2.gz WNTNGYIFPPRULO-QWHCGFSZSA-N 0 0 318.377 0.291 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000387739469 333168473 /nfs/dbraw/zinc/16/84/73/333168473.db2.gz XANLXVIIMXKTJF-NWDGAFQWSA-N 0 0 318.439 0.420 10 0 DCAERN O=S(=O)(CCc1ccccc1)NC[C@]1(CCO)CCOC1 ZINC000181401041 333169265 /nfs/dbraw/zinc/16/92/65/333169265.db2.gz CCUNYAFFSMXURW-HNNXBMFYSA-N 0 0 313.419 0.938 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C(C)(C)C2)cc1 ZINC000387894907 333183606 /nfs/dbraw/zinc/18/36/06/333183606.db2.gz IKWVASUVDKVICQ-LBPRGKRZSA-N 0 0 312.391 0.438 10 0 DCAERN O=C(Cn1ncc2ccccc21)NC[C@H](CO)[C@H]1CCOC1 ZINC000575181359 333275097 /nfs/dbraw/zinc/27/50/97/333275097.db2.gz OWDDYNRPWRUQHN-UONOGXRCSA-N 0 0 303.362 0.798 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000190009776 336258473 /nfs/dbraw/zinc/25/84/73/336258473.db2.gz NMRMOIGGUMNHHI-MWLCHTKSSA-N 0 0 318.420 0.575 10 0 DCAERN CN1C[C@@H](NC(=O)c2csc(Br)c2)C(=O)N1 ZINC000393905031 337094278 /nfs/dbraw/zinc/09/42/78/337094278.db2.gz FRWRBCBHDNSOEZ-ZCFIWIBFSA-N 0 0 304.169 0.586 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000584411089 337321234 /nfs/dbraw/zinc/32/12/34/337321234.db2.gz DAQKCSJYCIGTIE-LLVKDONJSA-N 0 0 304.346 0.990 10 0 DCAERN Cc1cc(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)on1 ZINC000576182197 341831699 /nfs/dbraw/zinc/83/16/99/341831699.db2.gz XIOSOKREBRUTTL-QWRGUYRKSA-N 0 0 315.395 0.743 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000192931965 341897752 /nfs/dbraw/zinc/89/77/52/341897752.db2.gz MMSANTVJBFAXKM-GFCCVEGCSA-N 0 0 304.350 0.870 10 0 DCAERN CCC[C@@H](C)CS(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116904400 520633234 /nfs/dbraw/zinc/63/32/34/520633234.db2.gz GMYRJUXEYVNALQ-MNOVXSKESA-N 0 0 312.457 0.376 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCc1ccc(Cl)nc1 ZINC000176059473 1184124070 /nfs/dbraw/zinc/12/40/70/1184124070.db2.gz VOXBKUWLSKAIJE-UHFFFAOYSA-N 0 0 305.787 0.633 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](NCc1cocn1)C(F)(F)F ZINC000285379571 536088545 /nfs/dbraw/zinc/08/85/45/536088545.db2.gz CQUNARBPGDTLNC-MRVPVSSYSA-N 0 0 301.290 0.587 10 0 DCAERN COC(=O)c1coc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)c1 ZINC000184614303 534314228 /nfs/dbraw/zinc/31/42/28/534314228.db2.gz HHDHUJVWLYMZLL-SNVBAGLBSA-N 0 0 304.306 0.711 10 0 DCAERN Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000299446178 534355336 /nfs/dbraw/zinc/35/53/36/534355336.db2.gz RCBROBODIYVNNN-GFCCVEGCSA-N 0 0 306.366 0.072 10 0 DCAERN CC(C)(C)c1nc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)cs1 ZINC000130765362 519093538 /nfs/dbraw/zinc/09/35/38/519093538.db2.gz DLRLANKLLWSYSP-VIFPVBQESA-N 0 0 324.406 0.697 10 0 DCAERN CC(C)N1C[C@@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1=O ZINC000267535752 519694181 /nfs/dbraw/zinc/69/41/81/519694181.db2.gz BEOOGHMNFLGSTR-JSGCOSHPSA-N 0 0 319.409 0.928 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000189557555 519830558 /nfs/dbraw/zinc/83/05/58/519830558.db2.gz NDHDHYRHUSYYCO-JTQLQIEISA-N 0 0 314.411 0.639 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)s1 ZINC000190822506 519851348 /nfs/dbraw/zinc/85/13/48/519851348.db2.gz PXXDVMXQVCCMPT-VIFPVBQESA-N 0 0 312.395 0.831 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CC([C@H]2CCOC2)C1 ZINC000365430754 519882601 /nfs/dbraw/zinc/88/26/01/519882601.db2.gz YIDJDDNHNDNHGX-NSHDSACASA-N 0 0 320.393 0.977 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000191592944 520211989 /nfs/dbraw/zinc/21/19/89/520211989.db2.gz WWIYOLNJANRNKF-NSHDSACASA-N 0 0 319.365 0.824 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CNC(=O)C2)[C@@H]1Oc1ccccc1 ZINC000186359355 520420067 /nfs/dbraw/zinc/42/00/67/520420067.db2.gz KDWBQQPZHQRQSM-UJDVCPFMSA-N 0 0 318.373 0.864 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000189696720 520432733 /nfs/dbraw/zinc/43/27/33/520432733.db2.gz PJPLZETXGHNRFD-LBPRGKRZSA-N 0 0 303.362 0.682 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189158968 520545953 /nfs/dbraw/zinc/54/59/53/520545953.db2.gz WWWXVVNRFLRIAM-TUVASFSCSA-N 0 0 324.421 0.822 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000119723318 520814001 /nfs/dbraw/zinc/81/40/01/520814001.db2.gz MTORCHNWXNPWEW-LLVKDONJSA-N 0 0 306.370 0.675 10 0 DCAERN CCN(CCc1nccs1)C(=O)NCCNS(C)(=O)=O ZINC000161626979 521176576 /nfs/dbraw/zinc/17/65/76/521176576.db2.gz BFMLSRUAAFRFJU-UHFFFAOYSA-N 0 0 320.440 0.266 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000158031352 521750297 /nfs/dbraw/zinc/75/02/97/521750297.db2.gz VPFSGIVLNNNCHJ-CQSZACIVSA-N 0 0 317.389 0.994 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194093797 521750764 /nfs/dbraw/zinc/75/07/64/521750764.db2.gz XPFAROZPSDHASX-CYBMUJFWSA-N 0 0 316.361 0.948 10 0 DCAERN CNC(=O)[C@H]1CN(S(=O)(=O)CC2CC2)c2ccccc2O1 ZINC000267209587 521771573 /nfs/dbraw/zinc/77/15/73/521771573.db2.gz OHNFFCGPDNIBTO-CYBMUJFWSA-N 0 0 310.375 0.740 10 0 DCAERN CCc1cccc2c(CC(=O)NCCS(=O)(=O)NC)c[nH]c21 ZINC000188998841 521790274 /nfs/dbraw/zinc/79/02/74/521790274.db2.gz NZCGQADKMVLQKU-UHFFFAOYSA-N 0 0 323.418 0.938 10 0 DCAERN CNC(=O)c1ccc(N2CCN([C@@H](C)C(F)(F)F)CC2)nn1 ZINC000267271197 521832055 /nfs/dbraw/zinc/83/20/55/521832055.db2.gz ZRDXQHBTSIMIKI-VIFPVBQESA-N 0 0 317.315 0.909 10 0 DCAERN CN(C)S(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000126790745 521964280 /nfs/dbraw/zinc/96/42/80/521964280.db2.gz XTLWDALOAJUJPU-QWRGUYRKSA-N 0 0 304.368 0.210 10 0 DCAERN CCc1cnc(NC(=O)C(=O)NCCn2cc(C)cn2)s1 ZINC000190498156 522045487 /nfs/dbraw/zinc/04/54/87/522045487.db2.gz XVJLSCWPRNWDFA-UHFFFAOYSA-N 0 0 307.379 0.965 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@H](C)[C@@H](C)CO)c1CC ZINC000158906575 522128413 /nfs/dbraw/zinc/12/84/13/522128413.db2.gz ALDWLHLPEUWWEJ-VHSXEESVSA-N 0 0 310.398 0.711 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000158805025 522250369 /nfs/dbraw/zinc/25/03/69/522250369.db2.gz NLUIBGRZTCUZCK-NXEZZACHSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1oc(C)c(C)c1S(=O)(=O)N1CCNCC1 ZINC000032500925 522399973 /nfs/dbraw/zinc/39/99/73/522399973.db2.gz WJIBJSSFOMMNOB-UHFFFAOYSA-N 0 0 302.352 0.277 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cn(C)c(C)n1 ZINC000157063620 522519388 /nfs/dbraw/zinc/51/93/88/522519388.db2.gz GDUCYOVIJYKCTB-SNVBAGLBSA-N 0 0 324.410 0.696 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CCNC(=O)Cc1ccccc1 ZINC000189166141 522592856 /nfs/dbraw/zinc/59/28/56/522592856.db2.gz HQOKENDEEUNIMJ-UHFFFAOYSA-N 0 0 304.390 0.966 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)Cc2ccccc2F)C1 ZINC000188486459 522759692 /nfs/dbraw/zinc/75/96/92/522759692.db2.gz ZLWUOTKNFOWMEQ-NSHDSACASA-N 0 0 323.368 0.913 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157469878 522884409 /nfs/dbraw/zinc/88/44/09/522884409.db2.gz GGMBSEVVTOBUQT-NOZJJQNGSA-N 0 0 309.366 0.443 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccn(CCOC)n2)CC1 ZINC000189733684 522999666 /nfs/dbraw/zinc/99/96/66/522999666.db2.gz HHIZIHPMQAEQTE-CYBMUJFWSA-N 0 0 310.398 0.058 10 0 DCAERN COc1cc2c(cc1CNC(=O)[C@@H]1CNC(=O)C1)O[C@H](C)C2 ZINC000153173656 522999848 /nfs/dbraw/zinc/99/98/48/522999848.db2.gz JUIOTHFXIRRVSM-SKDRFNHKSA-N 0 0 304.346 0.771 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000132845323 523046957 /nfs/dbraw/zinc/04/69/57/523046957.db2.gz CIMYFLWTUGXBSS-VIFPVBQESA-N 0 0 308.338 0.221 10 0 DCAERN COCc1ccsc1C(=O)NCCN1CCCS1(=O)=O ZINC000156031636 523135887 /nfs/dbraw/zinc/13/58/87/523135887.db2.gz BXYKLOMVABGNHB-UHFFFAOYSA-N 0 0 318.420 0.660 10 0 DCAERN CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000156739496 523187409 /nfs/dbraw/zinc/18/74/09/523187409.db2.gz YYLHRFHYTVSWIC-NSHDSACASA-N 0 0 301.302 0.989 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@H](c2cccs2)C1 ZINC000157625788 523201425 /nfs/dbraw/zinc/20/14/25/523201425.db2.gz XRMHFPAPAMKXEK-QWRGUYRKSA-N 0 0 312.391 0.799 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000135555628 523316717 /nfs/dbraw/zinc/31/67/17/523316717.db2.gz DLGTXHYYCHVOTK-NSHDSACASA-N 0 0 305.256 0.611 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158135664 523326210 /nfs/dbraw/zinc/32/62/10/523326210.db2.gz KAHRBKNXBBODGT-HZSPNIEDSA-N 0 0 300.399 0.407 10 0 DCAERN CN(Cc1cccs1)C(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000371813660 523442240 /nfs/dbraw/zinc/44/22/40/523442240.db2.gz AYPCXNPADQDBTG-ZDUSSCGKSA-N 0 0 309.435 0.723 10 0 DCAERN COC(=O)N[C@@H](C(=O)NCc1nc2cccnc2[nH]1)C(C)C ZINC000190262319 523458439 /nfs/dbraw/zinc/45/84/39/523458439.db2.gz WSJMHOIPXHXOBD-LLVKDONJSA-N 0 0 305.338 0.955 10 0 DCAERN CCn1cc([C@@H]2CN(CCC(=O)NC(=O)NC)CCO2)cn1 ZINC000190738967 523467418 /nfs/dbraw/zinc/46/74/18/523467418.db2.gz SUUSBDCXDDUKNY-LBPRGKRZSA-N 0 0 309.370 0.122 10 0 DCAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)N1CCc2c1cccc2F ZINC000190342397 523690802 /nfs/dbraw/zinc/69/08/02/523690802.db2.gz GHMQTSRZKJTJKM-ZDUSSCGKSA-N 0 0 320.320 0.879 10 0 DCAERN CCc1cc(=O)n2nc(N[C@H](C)[C@@H]3CN(C)CCO3)sc2n1 ZINC000154811234 523742470 /nfs/dbraw/zinc/74/24/70/523742470.db2.gz LVVKNCJVMOZLBX-KOLCDFICSA-N 0 0 323.422 0.844 10 0 DCAERN CN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H]1CCCc2c1cnn2C ZINC000154824851 523807456 /nfs/dbraw/zinc/80/74/56/523807456.db2.gz HYAWRGZYHSGHGQ-WDEREUQCSA-N 0 0 319.365 0.244 10 0 DCAERN COCCN1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@@H]1C ZINC000105913908 523858609 /nfs/dbraw/zinc/85/86/09/523858609.db2.gz OSUJYLLANQYZRU-QWRGUYRKSA-N 0 0 311.348 0.706 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CN(C)CCO1 ZINC000246158591 524009152 /nfs/dbraw/zinc/00/91/52/524009152.db2.gz LOCOSRMVBPPCCT-HUUCEWRRSA-N 0 0 319.405 0.133 10 0 DCAERN CN1C[C@@H](NC(=O)Cn2cnc(-c3ccccc3)n2)CCC1=O ZINC000152886682 524009468 /nfs/dbraw/zinc/00/94/68/524009468.db2.gz JDYCDVBTDPACGY-ZDUSSCGKSA-N 0 0 313.361 0.682 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H](C)C2CCCC2)N(S(C)(=O)=O)C1 ZINC000366055393 524016651 /nfs/dbraw/zinc/01/66/51/524016651.db2.gz FWISBNANVVNLTR-WCFLWFBJSA-N 0 0 318.439 0.730 10 0 DCAERN CN1C[C@H](C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1=O ZINC000159082794 524019611 /nfs/dbraw/zinc/01/96/11/524019611.db2.gz YUQCKOBGMCSISL-AGIUHOORSA-N 0 0 322.361 0.409 10 0 DCAERN CN1C[C@H](NS(=O)(=O)C2=Cc3ccccc3OC2)CCC1=O ZINC000187998688 524025253 /nfs/dbraw/zinc/02/52/53/524025253.db2.gz FIBTXPWPKJRJIS-GFCCVEGCSA-N 0 0 322.386 0.960 10 0 DCAERN CNC(=O)C1(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000189795070 524045910 /nfs/dbraw/zinc/04/59/10/524045910.db2.gz BMNXOFDAEREKOQ-UHFFFAOYSA-N 0 0 313.361 0.657 10 0 DCAERN C[C@@H](C(=O)N(C)[C@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000364581892 524089130 /nfs/dbraw/zinc/08/91/30/524089130.db2.gz ZMADKRUOMYSGGL-QWRGUYRKSA-N 0 0 309.366 0.487 10 0 DCAERN C[C@H](CO)NC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000364103669 524563978 /nfs/dbraw/zinc/56/39/78/524563978.db2.gz QKMYIKSPXLWWCQ-SECBINFHSA-N 0 0 324.381 0.814 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127982615 524808739 /nfs/dbraw/zinc/80/87/39/524808739.db2.gz FQFRYSWIYBZHHP-NWDGAFQWSA-N 0 0 316.361 0.944 10 0 DCAERN Cc1cc(CS(=O)(=O)N2C[C@@H](CO)OC(C)(C)C2)no1 ZINC000163647043 524811900 /nfs/dbraw/zinc/81/19/00/524811900.db2.gz JFGYECHPUUVUPL-NSHDSACASA-N 0 0 304.368 0.285 10 0 DCAERN C[C@@H](CS(=O)(=O)N1CCN(CCO)CC1)c1ccccc1 ZINC000149455743 524827925 /nfs/dbraw/zinc/82/79/25/524827925.db2.gz JUMZPEQZCHBTMO-AWEZNQCLSA-N 0 0 312.435 0.730 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000185773500 524846605 /nfs/dbraw/zinc/84/66/05/524846605.db2.gz XGFBCPGLHQASDP-GWCFXTLKSA-N 0 0 316.361 0.675 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000190335034 534814886 /nfs/dbraw/zinc/81/48/86/534814886.db2.gz LNUCNRITAHDUIB-WDEREUQCSA-N 0 0 312.414 0.353 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCS1(=O)=O ZINC000159177577 525049618 /nfs/dbraw/zinc/04/96/18/525049618.db2.gz LHFSPOUNCAREFT-MRVPVSSYSA-N 0 0 324.811 0.543 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cnc1Cl ZINC000129862650 525110890 /nfs/dbraw/zinc/11/08/90/525110890.db2.gz OPVYOVREKIZVLF-SECBINFHSA-N 0 0 324.768 0.719 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)NC(C)(C)C ZINC000163841993 525112749 /nfs/dbraw/zinc/11/27/49/525112749.db2.gz WLMBZOGJCCXPTH-SNVBAGLBSA-N 0 0 306.366 0.231 10 0 DCAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)[C@H]1CCCO1 ZINC000246059240 525183478 /nfs/dbraw/zinc/18/34/78/525183478.db2.gz AYAHGNCTQQMNJH-KBUPBQIOSA-N 0 0 311.426 0.916 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2O)C1 ZINC000116835822 525209238 /nfs/dbraw/zinc/20/92/38/525209238.db2.gz JPUSTPYURGSYLB-GFCCVEGCSA-N 0 0 312.391 0.475 10 0 DCAERN C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)O1 ZINC000368518699 525397978 /nfs/dbraw/zinc/39/79/78/525397978.db2.gz NDLMINXTHXKWFL-UNJBNNCHSA-N 0 0 310.394 0.696 10 0 DCAERN Cc1cccnc1[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC000155976408 525551047 /nfs/dbraw/zinc/55/10/47/525551047.db2.gz MTYZJJCUEDSJKA-CMPLNLGQSA-N 0 0 304.350 0.801 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@]1(O)CCc2ccccc21 ZINC000190319566 525578029 /nfs/dbraw/zinc/57/80/29/525578029.db2.gz MFXSTUTXJXNSEA-TUKIKUTGSA-N 0 0 311.403 0.917 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1C ZINC000128207862 525793812 /nfs/dbraw/zinc/79/38/12/525793812.db2.gz XEHKHCLQUUSBPR-QWHCGFSZSA-N 0 0 306.410 0.747 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000152575200 525877630 /nfs/dbraw/zinc/87/76/30/525877630.db2.gz GQWBNBLHRUAFAN-MRXNPFEDSA-N 0 0 301.346 0.770 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)C1CCOCC1 ZINC000246177875 526072584 /nfs/dbraw/zinc/07/25/84/526072584.db2.gz VZJSEPOPLNMZTL-YUTCNCBUSA-N 0 0 312.410 0.801 10 0 DCAERN Cc1ccc(C(=O)NCCNC(=O)N2CC(CO)C2)cc1F ZINC000190841171 526163988 /nfs/dbraw/zinc/16/39/88/526163988.db2.gz HZXHNQYIQJAOMG-UHFFFAOYSA-N 0 0 309.341 0.498 10 0 DCAERN COc1cccc(OC)c1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000120249760 526221027 /nfs/dbraw/zinc/22/10/27/526221027.db2.gz BGKSXVXKLVCTJS-NSHDSACASA-N 0 0 316.361 0.969 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000158699440 526262280 /nfs/dbraw/zinc/26/22/80/526262280.db2.gz BDUYMHPDOKRPFO-CYBMUJFWSA-N 0 0 305.382 0.644 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@H]3CN(C)CCO3)no2)c1 ZINC000124867430 526265230 /nfs/dbraw/zinc/26/52/30/526265230.db2.gz NSQMZBPKMDYJMD-ZDUSSCGKSA-N 0 0 319.365 0.288 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N[C@]3(CO)CCOC3)no2)c1 ZINC000182868099 526265347 /nfs/dbraw/zinc/26/53/47/526265347.db2.gz VHFMYPFJELDWQV-AWEZNQCLSA-N 0 0 306.322 0.109 10 0 DCAERN O=C(CC1CCC2(CC1)OCCO2)N1CCN2CCOC[C@@H]2C1 ZINC000365003016 526352555 /nfs/dbraw/zinc/35/25/55/526352555.db2.gz RMGALQOGQLEZEO-HNNXBMFYSA-N 0 0 324.421 0.853 10 0 DCAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCN(C2CC2)CC1 ZINC000190422579 526528397 /nfs/dbraw/zinc/52/83/97/526528397.db2.gz MFMVTTDZGPPZRW-OAHLLOKOSA-N 0 0 300.362 0.881 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186174777 526548606 /nfs/dbraw/zinc/54/86/06/526548606.db2.gz ZWFABPZNFCXYSC-UHFFFAOYSA-N 0 0 313.379 0.581 10 0 DCAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(CCO)CC1 ZINC000188038648 526638272 /nfs/dbraw/zinc/63/82/72/526638272.db2.gz YJCURZPGCMFMLA-JTQLQIEISA-N 0 0 306.428 0.229 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCCc3c(C(N)=O)cccc32)C1 ZINC000175565620 526656761 /nfs/dbraw/zinc/65/67/61/526656761.db2.gz SAPRWBRMOASJMT-LBPRGKRZSA-N 0 0 315.373 0.933 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2CC(NC(=O)C3CC3)C2)c(=O)[nH]1 ZINC000189399781 526708098 /nfs/dbraw/zinc/70/80/98/526708098.db2.gz HTDTXTDTLARQLT-UHFFFAOYSA-N 0 0 318.377 0.056 10 0 DCAERN O=C(CNC(=O)[C@H]1CNC(=O)C1)OCc1ccccc1Cl ZINC000113221301 526849963 /nfs/dbraw/zinc/84/99/63/526849963.db2.gz ZWVYALXFTPXABW-SNVBAGLBSA-N 0 0 310.737 0.636 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ncn(-c2ccccc2)n1 ZINC000156782369 526958202 /nfs/dbraw/zinc/95/82/02/526958202.db2.gz SYILOYLJIBEETM-LLVKDONJSA-N 0 0 309.333 0.604 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189148755 526981608 /nfs/dbraw/zinc/98/16/08/526981608.db2.gz MILOHGOOJMVFDI-NSHDSACASA-N 0 0 324.287 0.701 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000176808284 527021884 /nfs/dbraw/zinc/02/18/84/527021884.db2.gz PMWRFZQGJYRONU-UHFFFAOYSA-N 0 0 301.350 0.863 10 0 DCAERN NC(=O)c1ccc(F)c(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000364948926 527054704 /nfs/dbraw/zinc/05/47/04/527054704.db2.gz YNQDFFYURVUTRV-NSHDSACASA-N 0 0 322.340 0.473 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cccc(C(F)(F)F)c1 ZINC000159034396 527138830 /nfs/dbraw/zinc/13/88/30/527138830.db2.gz VGKQJXPLXZGZOR-VIFPVBQESA-N 0 0 315.251 0.920 10 0 DCAERN O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1CCC(=O)NC1=O ZINC000152172642 527140714 /nfs/dbraw/zinc/14/07/14/527140714.db2.gz RHJKFYXZFPDLMK-OLZOCXBDSA-N 0 0 302.330 0.612 10 0 DCAERN Cc1ncc(CN2CCN(CC(=O)N3CCNC3=O)CC2)s1 ZINC000105813780 527258973 /nfs/dbraw/zinc/25/89/73/527258973.db2.gz BRZHQIMMWZOKDM-UHFFFAOYSA-N 0 0 323.422 0.121 10 0 DCAERN O=S(=O)(c1cccc(Cl)c1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000162557895 527284211 /nfs/dbraw/zinc/28/42/11/527284211.db2.gz DNWJLICKORLRSU-NXEZZACHSA-N 0 0 310.780 0.272 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2cccnc2)cn1 ZINC000163008339 527297634 /nfs/dbraw/zinc/29/76/34/527297634.db2.gz FVZNQEXFKOAADY-AWEZNQCLSA-N 0 0 313.361 0.909 10 0 DCAERN Cn1nc(C(=O)NCC2(C)OCCCO2)cc1OC(F)F ZINC000191131539 527543967 /nfs/dbraw/zinc/54/39/67/527543967.db2.gz VFZUPLUBCCVWAR-UHFFFAOYSA-N 0 0 305.281 0.904 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC000156180634 527582127 /nfs/dbraw/zinc/58/21/27/527582127.db2.gz HRLDHIMDKOAIAZ-SNVBAGLBSA-N 0 0 320.397 0.719 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC3(CO)CC3)cc12 ZINC000188973666 527687271 /nfs/dbraw/zinc/68/72/71/527687271.db2.gz QKGMLCJJOBJVRH-UHFFFAOYSA-N 0 0 324.406 0.670 10 0 DCAERN CCOC(C)(C)CNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000187720900 528412931 /nfs/dbraw/zinc/41/29/31/528412931.db2.gz ZBMUXIQWHOOAFI-ZDUSSCGKSA-N 0 0 301.431 0.900 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC000176286882 528438667 /nfs/dbraw/zinc/43/86/67/528438667.db2.gz QJROTRYPYWMOJS-UONOGXRCSA-N 0 0 309.410 0.620 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000151934263 528615399 /nfs/dbraw/zinc/61/53/99/528615399.db2.gz FLKTVVKDETVKLV-QWRGUYRKSA-N 0 0 314.411 0.739 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000163657812 528679567 /nfs/dbraw/zinc/67/95/67/528679567.db2.gz DCXDBTMRTMZJLR-WDEREUQCSA-N 0 0 321.381 0.515 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1CCCC[C@@H]1C ZINC000176564902 528703444 /nfs/dbraw/zinc/70/34/44/528703444.db2.gz GJZMWFZVESHZDQ-MQJDWESPSA-N 0 0 313.427 0.904 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CCC(=O)NC1CCCC1 ZINC000176563325 528703469 /nfs/dbraw/zinc/70/34/69/528703469.db2.gz CGQFTNGCJNHFAC-NRFANRHFSA-N 0 0 313.427 0.952 10 0 DCAERN CCCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000131158628 528803735 /nfs/dbraw/zinc/80/37/35/528803735.db2.gz WJRUCJDKMUCPEO-AAEUAGOBSA-N 0 0 318.439 0.874 10 0 DCAERN CCN(CC)C(=O)CCCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122394123 535405916 /nfs/dbraw/zinc/40/59/16/535405916.db2.gz IZGJQMLRZBCMAX-GFCCVEGCSA-N 0 0 318.439 0.671 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCC2=CCCOC2)CC12COC2 ZINC000454961703 535668245 /nfs/dbraw/zinc/66/82/45/535668245.db2.gz SAGYXEBVNKWMSL-CYBMUJFWSA-N 0 0 324.377 0.554 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)Cn1c(C)cc(C)nc1=O ZINC000285082652 536791799 /nfs/dbraw/zinc/79/17/99/536791799.db2.gz SAONBNJQTLKGIK-STQMWFEESA-N 0 0 309.366 0.122 10 0 DCAERN COC(=O)[C@@H]([NH3+])CCn1cc(I)cn1 ZINC000070678692 545661758 /nfs/dbraw/zinc/66/17/58/545661758.db2.gz JCESCFJWIJHDBA-ZETCQYMHSA-N 0 0 309.107 0.378 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC2CC2)CC1 ZINC000103502982 545731985 /nfs/dbraw/zinc/73/19/85/545731985.db2.gz NEJJTYIABOCILI-GFCCVEGCSA-N 0 0 308.426 0.923 10 0 DCAERN NC(=O)C1(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000119730357 545740563 /nfs/dbraw/zinc/74/05/63/545740563.db2.gz ZRLPOJCQJPPWDO-VIFPVBQESA-N 0 0 323.299 0.452 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCC1(O)CCCC1 ZINC000122464867 545751696 /nfs/dbraw/zinc/75/16/96/545751696.db2.gz WWCCUMGPOXBKGJ-LLVKDONJSA-N 0 0 323.397 0.864 10 0 DCAERN COCCC1(C(=O)NC[C@@H](O)CN2CCOCC2)CCCC1 ZINC000132787116 545794877 /nfs/dbraw/zinc/79/48/77/545794877.db2.gz XUHGJUYTGDJTOG-CQSZACIVSA-N 0 0 314.426 0.393 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000155037342 545842231 /nfs/dbraw/zinc/84/22/31/545842231.db2.gz ZECQTAHWFCMPNC-TXEJJXNPSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC000170331943 545880364 /nfs/dbraw/zinc/88/03/64/545880364.db2.gz NJSGFHSILAHVEP-KBPBESRZSA-N 0 0 320.389 0.643 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2ncccc2c1 ZINC000178632232 545895959 /nfs/dbraw/zinc/89/59/59/545895959.db2.gz MQQWDIIDLIFHOO-HNNXBMFYSA-N 0 0 315.373 0.658 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000179413476 545898774 /nfs/dbraw/zinc/89/87/74/545898774.db2.gz UXZVKXDQDYQGSH-NEPJUHHUSA-N 0 0 316.361 0.944 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)NC(CO)CO)[C@@H]1c1ccccc1 ZINC000183631468 545908545 /nfs/dbraw/zinc/90/85/45/545908545.db2.gz OXSIQNUNCKYWJS-HIFRSBDPSA-N 0 0 306.362 0.066 10 0 DCAERN CNC(=O)CC(=O)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000187541042 545915481 /nfs/dbraw/zinc/91/54/81/545915481.db2.gz VXKRQOSFLWACDA-UHFFFAOYSA-N 0 0 305.382 0.385 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)Nc2ccc3n[nH]cc3c2)C1=O ZINC000193051557 545929514 /nfs/dbraw/zinc/92/95/14/545929514.db2.gz WMJDJXBVYWEMGS-UHFFFAOYSA-N 0 0 301.306 0.832 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC[C@H]1C ZINC000249174563 545970798 /nfs/dbraw/zinc/97/07/98/545970798.db2.gz LWOQIPPRTDROJO-IJLUTSLNSA-N 0 0 304.412 0.294 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)N(C)C1 ZINC000329001953 546042118 /nfs/dbraw/zinc/04/21/18/546042118.db2.gz HAUSISKGFSTNKV-SDDRHHMPSA-N 0 0 311.407 0.762 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)CN1CCOCC1 ZINC000332759496 546059069 /nfs/dbraw/zinc/05/90/69/546059069.db2.gz WVVAGTFWBUSKOA-NEPJUHHUSA-N 0 0 315.439 0.135 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(n1)CCCC2 ZINC000333067946 546070811 /nfs/dbraw/zinc/07/08/11/546070811.db2.gz JSOBHTMTUVAGBA-LBPRGKRZSA-N 0 0 323.418 0.854 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333137271 546072712 /nfs/dbraw/zinc/07/27/12/546072712.db2.gz JPKXHWBQHFXNEM-NWANDNLSSA-N 0 0 311.426 0.916 10 0 DCAERN O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)[C@@H]1CCCC(=O)N1 ZINC000333692435 546088671 /nfs/dbraw/zinc/08/86/71/546088671.db2.gz CQXHJYYPAMYRNN-ZETCQYMHSA-N 0 0 302.290 0.899 10 0 DCAERN COC1(CO)CCN(S(=O)(=O)c2ccccc2N)CC1 ZINC000402953384 546227156 /nfs/dbraw/zinc/22/71/56/546227156.db2.gz WRCQJVNGURQXCN-UHFFFAOYSA-N 0 0 300.380 0.431 10 0 DCAERN O=S(=O)(c1ccc(Cl)s1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405279144 546228194 /nfs/dbraw/zinc/22/81/94/546228194.db2.gz UOEGCLZJGBEMIB-DTWKUNHWSA-N 0 0 322.839 0.841 10 0 DCAERN COC[C@@]1(CNC(=O)OC(C)(C)C)NCCc2ncn(C)c21 ZINC000725242600 548749483 /nfs/dbraw/zinc/74/94/83/548749483.db2.gz KDQXYHUQHSEWBA-OAHLLOKOSA-N 0 0 310.398 0.932 10 0 DCAERN CC1(CNC(=O)Cn2ccc(=O)c3ccccc32)OCCO1 ZINC000178509449 660954224 /nfs/dbraw/zinc/95/42/24/660954224.db2.gz YYXYBWDGKGJTQE-UHFFFAOYSA-N 0 0 302.330 0.881 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000337052920 661214251 /nfs/dbraw/zinc/21/42/51/661214251.db2.gz SSMIBRXUCHJEBY-JGVFFNPUSA-N 0 0 300.302 0.337 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062966816 661271754 /nfs/dbraw/zinc/27/17/54/661271754.db2.gz VJPOKHVLHVEVQQ-VIFPVBQESA-N 0 0 302.352 0.611 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cccnc1Cl)C(C)C ZINC000179901031 665408695 /nfs/dbraw/zinc/40/86/95/665408695.db2.gz MZQOEOINHZFPFA-SECBINFHSA-N 0 0 312.757 0.560 10 0 DCAERN C=CCNC(=O)CN1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000054484193 665440370 /nfs/dbraw/zinc/44/03/70/665440370.db2.gz PELHCIPECMKTMT-UHFFFAOYSA-N 0 0 322.796 0.795 10 0 DCAERN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000170895519 665462527 /nfs/dbraw/zinc/46/25/27/665462527.db2.gz LCPTURNAYLZDMX-NOZJJQNGSA-N 0 0 316.279 0.689 10 0 DCAERN O=C(NC1(CO)CC1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000160218542 657523317 /nfs/dbraw/zinc/52/33/17/657523317.db2.gz ZSQYNIWDFYGAMY-UHFFFAOYSA-N 0 0 319.336 0.945 10 0 DCAERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721534963 657573501 /nfs/dbraw/zinc/57/35/01/657573501.db2.gz CPFJKLSSOWVOAN-UKKRHICBSA-N 0 0 304.412 0.373 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CC[C@H]2CCCCO2)CCC1 ZINC000721536952 657601742 /nfs/dbraw/zinc/60/17/42/657601742.db2.gz ZQXCMANNFFEOCE-LLVKDONJSA-N 0 0 304.412 0.663 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCOC[C@H]1CO)c1cccs1 ZINC000168477803 657904263 /nfs/dbraw/zinc/90/42/63/657904263.db2.gz LEYIUYHMDSSJMV-NEPJUHHUSA-N 0 0 312.391 0.535 10 0 DCAERN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC1(CO)CC1 ZINC000160417462 657991432 /nfs/dbraw/zinc/99/14/32/657991432.db2.gz GFQDANGALAMERV-YRNVUSSQSA-N 0 0 324.402 0.608 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCCCC1CCCC1 ZINC000725019338 658023314 /nfs/dbraw/zinc/02/33/14/658023314.db2.gz ZSARMEYXJMOTHR-CYBMUJFWSA-N 0 0 302.440 0.850 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC1 ZINC000187616281 658190074 /nfs/dbraw/zinc/19/00/74/658190074.db2.gz BJPZZRCDWBZUPF-UHFFFAOYSA-N 0 0 315.333 0.013 10 0 DCAERN COCc1nn(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c(=O)o1 ZINC000119810512 658276312 /nfs/dbraw/zinc/27/63/12/658276312.db2.gz TWRJXFHHBCJCCV-VIFPVBQESA-N 0 0 301.343 0.602 10 0 DCAERN CC(=O)N1CCCN(C(=O)CCc2ccccc2C(N)=O)CC1 ZINC000280566807 658311151 /nfs/dbraw/zinc/31/11/51/658311151.db2.gz CDFJMYXIOGNJRX-UHFFFAOYSA-N 0 0 317.389 0.799 10 0 DCAERN CNC(=O)[C@H](C)CN(C)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255056151 658577537 /nfs/dbraw/zinc/57/75/37/658577537.db2.gz AHFLSLZJEXDJPI-VXGBXAGGSA-N 0 0 321.425 0.528 10 0 DCAERN COC(=O)CN1C(=O)N/C(=C\c2cccc(OC)c2OC)C1=O ZINC000096544548 658620655 /nfs/dbraw/zinc/62/06/55/658620655.db2.gz ABBPSBHKEOXREZ-YFHOEESVSA-N 0 0 320.301 0.770 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)OCc1nnc(C)n1C ZINC000181514766 665606877 /nfs/dbraw/zinc/60/68/77/665606877.db2.gz ZRVVVXBPBSCYOZ-UHFFFAOYSA-N 0 0 316.321 0.771 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255888298 658853318 /nfs/dbraw/zinc/85/33/18/658853318.db2.gz SVKVTKKITLWDDA-WCQYABFASA-N 0 0 319.409 0.425 10 0 DCAERN COC(=O)[C@@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000176763513 658871969 /nfs/dbraw/zinc/87/19/69/658871969.db2.gz WNAMKSIPUFFDPR-CYBMUJFWSA-N 0 0 310.394 0.858 10 0 DCAERN CCOC[C@H]1CCCCN1S(=O)(=O)c1cnc(N)nc1 ZINC000313271221 659092430 /nfs/dbraw/zinc/09/24/30/659092430.db2.gz DAIHCUHORVHIEJ-SNVBAGLBSA-N 0 0 300.384 0.639 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(Br)o2)C1 ZINC000309579069 659417104 /nfs/dbraw/zinc/41/71/04/659417104.db2.gz PTBBIYSBYCOVHD-HTQZYQBOSA-N 0 0 310.169 0.290 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCO[C@@H](C)C3)C2)CCO1 ZINC000333102408 659774820 /nfs/dbraw/zinc/77/48/20/659774820.db2.gz FBAYLYZZQBQHEJ-PYHGIMPFSA-N 0 0 324.421 0.897 10 0 DCAERN C=CCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000026910355 659796074 /nfs/dbraw/zinc/79/60/74/659796074.db2.gz WLTJSLXWLIFZOJ-MRXNPFEDSA-N 0 0 321.396 0.779 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)nc2)cc1 ZINC000070081655 665744132 /nfs/dbraw/zinc/74/41/32/665744132.db2.gz WNXGKSOUBBJLMJ-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)OCC1CC1 ZINC000726172753 661652645 /nfs/dbraw/zinc/65/26/45/661652645.db2.gz LUTPKKZYPIULHP-LLVKDONJSA-N 0 0 304.346 0.874 10 0 DCAERN C[C@@H]1CN(CCNC(=O)Nc2ccc(N(C)C)nc2)CCO1 ZINC000726258861 661654863 /nfs/dbraw/zinc/65/48/63/661654863.db2.gz LDOVWXIADUETFZ-GFCCVEGCSA-N 0 0 307.398 0.990 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCCNC1=O ZINC000048666192 661956716 /nfs/dbraw/zinc/95/67/16/661956716.db2.gz XYSCMJNZTXFPQB-MRVPVSSYSA-N 0 0 320.802 0.329 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2noc(CN)n2)c2ccccc2O1 ZINC000262041290 661979090 /nfs/dbraw/zinc/97/90/90/661979090.db2.gz HQPBZNPRKAAEHV-NSHDSACASA-N 0 0 303.322 0.042 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721810829 662103199 /nfs/dbraw/zinc/10/31/99/662103199.db2.gz IJSVMAVIUSIWIB-UWVGGRQHSA-N 0 0 303.428 0.396 10 0 DCAERN CC1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)OCCCO1 ZINC000192268512 662151111 /nfs/dbraw/zinc/15/11/11/662151111.db2.gz ZDRWDDQMJXCSQC-UHFFFAOYSA-N 0 0 303.318 0.806 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccn2nnnc12 ZINC000896830830 662321445 /nfs/dbraw/zinc/32/14/45/662321445.db2.gz JEHIHKHJMRWUTJ-SECBINFHSA-N 0 0 305.338 0.927 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)C(C)C ZINC000179080348 662450526 /nfs/dbraw/zinc/45/05/26/662450526.db2.gz UOCAQKPKXUEZLW-SNVBAGLBSA-N 0 0 312.757 0.560 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Oc1cc(C(N)=O)ccc1C ZINC000728842322 662472371 /nfs/dbraw/zinc/47/23/71/662472371.db2.gz MEPJXNRIFVNRMT-LLVKDONJSA-N 0 0 308.359 0.921 10 0 DCAERN COc1ccc(S(=O)(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000170270018 662654676 /nfs/dbraw/zinc/65/46/76/662654676.db2.gz HJIAOBXZJJEKJI-CQSZACIVSA-N 0 0 310.375 0.596 10 0 DCAERN CN(C[C@H]1CCc2nccn2C1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897472648 662769575 /nfs/dbraw/zinc/76/95/75/662769575.db2.gz KUWQZEYSINNUJN-HIFRSBDPSA-N 0 0 318.421 0.625 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)C(F)(F)c1ccccc1 ZINC000192455389 662876729 /nfs/dbraw/zinc/87/67/29/662876729.db2.gz UPJJFSJHHMCGKG-CYBMUJFWSA-N 0 0 314.332 0.588 10 0 DCAERN Cc1cn(C(C)(C)C(=O)N2CC[C@](O)(c3nc(C)no3)C2)cn1 ZINC000897572745 662905469 /nfs/dbraw/zinc/90/54/69/662905469.db2.gz GTVXHUMBZQMEBU-OAHLLOKOSA-N 0 0 319.365 0.738 10 0 DCAERN CC(C)[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)N(C)C ZINC000729703086 662907747 /nfs/dbraw/zinc/90/77/47/662907747.db2.gz BKVRTPGOPRTHKR-CQSZACIVSA-N 0 0 322.361 0.820 10 0 DCAERN CC(C)[C@@H](OC(=O)c1ccc(NCC(N)=O)cc1)C(=O)N(C)C ZINC000729704064 662907788 /nfs/dbraw/zinc/90/77/88/662907788.db2.gz HQVMZIQARQJWTJ-CQSZACIVSA-N 0 0 321.377 0.853 10 0 DCAERN COC(=O)CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000730096170 663044178 /nfs/dbraw/zinc/04/41/78/663044178.db2.gz FJTKDCFOWSCYBW-UHFFFAOYSA-N 0 0 320.345 0.872 10 0 DCAERN COc1cc(C(=O)N2CCOC[C@@H]2CO)cc(OC)c1OC ZINC000096787898 663081799 /nfs/dbraw/zinc/08/17/99/663081799.db2.gz JTGMFSYPKYQLHP-NSHDSACASA-N 0 0 311.334 0.546 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@@H]2CCOC2)n[nH]1 ZINC000898861211 663110763 /nfs/dbraw/zinc/11/07/63/663110763.db2.gz VVMNYLZZKSTODI-MDZLAQPJSA-N 0 0 308.382 0.986 10 0 DCAERN COC(=O)CC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000906833634 663645759 /nfs/dbraw/zinc/64/57/59/663645759.db2.gz POACLUDLLUDUEH-VIFPVBQESA-N 0 0 310.354 0.565 10 0 DCAERN COC(=O)CC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000907563414 663705340 /nfs/dbraw/zinc/70/53/40/663705340.db2.gz LKIAYBKTEUGJNW-NSHDSACASA-N 0 0 308.338 0.006 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(NC2CC2)nc1 ZINC000909167077 663785209 /nfs/dbraw/zinc/78/52/09/663785209.db2.gz REABDNBBZLLHOG-UMVBOHGHSA-N 0 0 313.361 0.957 10 0 DCAERN COc1ccc2c(c1)OC[C@H](C(=O)N1CCOC[C@@H]1CO)C2 ZINC000912421715 664174358 /nfs/dbraw/zinc/17/43/58/664174358.db2.gz JTZJWNRTNDJBST-OLZOCXBDSA-N 0 0 307.346 0.466 10 0 DCAERN COc1cc(C(=O)N2CCOC[C@@H]2CO)cc2c1O[C@@H](C)C2 ZINC000912425966 664174977 /nfs/dbraw/zinc/17/49/77/664174977.db2.gz AGMZMEIJZJJLPT-GWCFXTLKSA-N 0 0 307.346 0.852 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)Nc1cnc2nccn2c1 ZINC000912838172 664235277 /nfs/dbraw/zinc/23/52/77/664235277.db2.gz GUCOQGIFIQRWGH-LLVKDONJSA-N 0 0 303.322 0.041 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000222651173 664385357 /nfs/dbraw/zinc/38/53/57/664385357.db2.gz DZBHMZGSQFTUBU-CQSZACIVSA-N 0 0 302.378 0.301 10 0 DCAERN COc1c(C(=O)NCC2(CO)CC2)nnn1Cc1ccccc1 ZINC000223227793 664404590 /nfs/dbraw/zinc/40/45/90/664404590.db2.gz DIDYTTQODUTQGO-UHFFFAOYSA-N 0 0 316.361 0.837 10 0 DCAERN C[C@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O ZINC000223981796 664428189 /nfs/dbraw/zinc/42/81/89/664428189.db2.gz XNGUKHRYEFIXRZ-SNVBAGLBSA-N 0 0 306.370 0.363 10 0 DCAERN CC(=O)NCCNC(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000439707428 664432902 /nfs/dbraw/zinc/43/29/02/664432902.db2.gz QGGAKHPLEMRPME-SNVBAGLBSA-N 0 0 308.386 0.624 10 0 DCAERN O=S(=O)(c1cccc2ncccc21)N1CCOC[C@@H]1CO ZINC000168655280 664527502 /nfs/dbraw/zinc/52/75/02/664527502.db2.gz CGCOPFPGQDBVCR-NSHDSACASA-N 0 0 308.359 0.617 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)cc(Cl)n1 ZINC000228427394 664559407 /nfs/dbraw/zinc/55/94/07/664559407.db2.gz BZZYVSLNVGZPRB-ZDUSSCGKSA-N 0 0 308.725 0.468 10 0 DCAERN CC(C)[C@H](C)CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000172451783 664621723 /nfs/dbraw/zinc/62/17/23/664621723.db2.gz UCAWYWQHFLLVRL-LLVKDONJSA-N 0 0 311.407 0.892 10 0 DCAERN CN1C(=O)OC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000062632433 664622036 /nfs/dbraw/zinc/62/20/36/664622036.db2.gz XEQQJBRGCGKLTQ-ZDUSSCGKSA-N 0 0 307.325 0.925 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000173138859 664627255 /nfs/dbraw/zinc/62/72/55/664627255.db2.gz IVPWHKQGKRZXRV-CHWSQXEVSA-N 0 0 317.432 0.754 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)NC/C=C/c1ccccc1 ZINC000173144546 664627361 /nfs/dbraw/zinc/62/73/61/664627361.db2.gz LNXOTMZWAOGZCC-VMPITWQZSA-N 0 0 303.405 0.664 10 0 DCAERN Cc1cc(C)c2c(n1)sn(CN1CCO[C@@H](C(N)=O)C1)c2=O ZINC000173331595 664628048 /nfs/dbraw/zinc/62/80/48/664628048.db2.gz FCTLIDUCYNQBQX-SNVBAGLBSA-N 0 0 322.390 0.218 10 0 DCAERN OC[C@@H]1CN(c2nccn3nc(C(F)(F)F)cc23)CCO1 ZINC000130039821 664640012 /nfs/dbraw/zinc/64/00/12/664640012.db2.gz NIXVENWVABEXMB-QMMMGPOBSA-N 0 0 302.256 0.946 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N(C)CC1CC1 ZINC000730306107 664681612 /nfs/dbraw/zinc/68/16/12/664681612.db2.gz SPIQSRSRCNKRGL-LLVKDONJSA-N 0 0 300.380 0.319 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NC1CCCC1 ZINC000730312808 664683904 /nfs/dbraw/zinc/68/39/04/664683904.db2.gz VQGVTIOJIDNEBC-NSHDSACASA-N 0 0 300.380 0.510 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000029965138 664710345 /nfs/dbraw/zinc/71/03/45/664710345.db2.gz NIGFXKQBDQWNBQ-VMPITWQZSA-N 0 0 318.304 0.980 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)OC(=O)Cn1ncc2ccccc21 ZINC000730637001 664798896 /nfs/dbraw/zinc/79/88/96/664798896.db2.gz AVXBVMJWBCPNLU-JTQLQIEISA-N 0 0 319.317 0.257 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000153592355 664897121 /nfs/dbraw/zinc/89/71/21/664897121.db2.gz ZWWWEPIIRPGRNU-LLVKDONJSA-N 0 0 308.313 0.286 10 0 DCAERN CC(C)(C)n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2O)cn1 ZINC000154436065 665135731 /nfs/dbraw/zinc/13/57/31/665135731.db2.gz QOTYTBNUWBCGNM-NEPJUHHUSA-N 0 0 308.382 0.996 10 0 DCAERN CCC1(COC(=O)Cn2cnc3c(cnn3C)c2=O)COC1 ZINC000154611967 665154253 /nfs/dbraw/zinc/15/42/53/665154253.db2.gz OHDCFQQTKBUZDX-UHFFFAOYSA-N 0 0 306.322 0.100 10 0 DCAERN C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)[C@H]1CCOC1 ZINC000175294962 665320793 /nfs/dbraw/zinc/32/07/93/665320793.db2.gz UUVXDURYTVXXNI-XVHVLHHCSA-N 0 0 308.334 0.065 10 0 DCAERN CCCCN(CN1CCOC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000073448148 665359284 /nfs/dbraw/zinc/35/92/84/665359284.db2.gz PBOYLEQXCKFBLQ-LLVKDONJSA-N 0 0 306.453 0.850 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@@H]2CC=CCC2)c(=O)n(C)c1=O ZINC000073509229 665388824 /nfs/dbraw/zinc/38/88/24/665388824.db2.gz VVJVKCLWBAHLLY-IDVQTMNDSA-N 0 0 304.346 0.997 10 0 DCAERN CO[C@@H]1CCC[C@@H](OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000073509326 665389133 /nfs/dbraw/zinc/38/91/33/665389133.db2.gz VWFJJKPETJFMRC-WUOSCTTQSA-N 0 0 322.361 0.598 10 0 DCAERN COc1cc(N2CCN(C(=O)C3=COCCC3)CC2)ncn1 ZINC000183823704 666120136 /nfs/dbraw/zinc/12/01/36/666120136.db2.gz QUBSPMSUUXAUGH-UHFFFAOYSA-N 0 0 304.350 0.828 10 0 DCAERN CS(=O)(=O)NCCC(=O)OC1CCN(CC(F)F)CC1 ZINC000183969816 666161223 /nfs/dbraw/zinc/16/12/23/666161223.db2.gz PISUTNJJQLWFQI-UHFFFAOYSA-N 0 0 314.354 0.198 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)OC1CCN(CC(F)F)CC1 ZINC000184009218 666168172 /nfs/dbraw/zinc/16/81/72/666168172.db2.gz UMXXARGTVMXEQF-UHFFFAOYSA-N 0 0 318.320 0.798 10 0 DCAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCO[C@@]2(CCOC2)C1 ZINC000184277172 666193771 /nfs/dbraw/zinc/19/37/71/666193771.db2.gz BLSQJZTUMJREGP-ZENOOKHLSA-N 0 0 306.362 0.386 10 0 DCAERN CCOC(CN1CCN(c2ccc3nncn3n2)CC1)OCC ZINC000184966578 666310418 /nfs/dbraw/zinc/31/04/18/666310418.db2.gz ODXJOVQOXNCMOH-UHFFFAOYSA-N 0 0 320.397 0.645 10 0 DCAERN O=S1(=O)CCN(CN2CCOC2=S)Cc2ccccc21 ZINC000185203919 666377439 /nfs/dbraw/zinc/37/74/39/666377439.db2.gz RXABKONICLRGOX-UHFFFAOYSA-N 0 0 312.416 0.851 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000185760604 666562344 /nfs/dbraw/zinc/56/23/44/666562344.db2.gz QOXXRMOTXVCAJM-ZDUSSCGKSA-N 0 0 304.346 0.857 10 0 DCAERN CCCC(=O)N1CSC[C@@H]1C(=O)NCC[S@](=O)CC ZINC000733963688 666832597 /nfs/dbraw/zinc/83/25/97/666832597.db2.gz HCLNZNBPAJAUIS-GIGQVBGESA-N 0 0 306.453 0.573 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1c2ccccc2CCC1=O ZINC000733961545 666832283 /nfs/dbraw/zinc/83/22/83/666832283.db2.gz CFISMRHMHJINTO-OAQYLSRUSA-N 0 0 308.403 0.851 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000733961775 666832396 /nfs/dbraw/zinc/83/23/96/666832396.db2.gz WSVBNTQCTQJKBJ-NRFANRHFSA-N 0 0 314.382 0.830 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H](CO)C1CC1 ZINC000734228746 666858192 /nfs/dbraw/zinc/85/81/92/666858192.db2.gz WTTSFJQSMUUPGY-ZDUSSCGKSA-N 0 0 304.346 0.837 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000734358037 666871232 /nfs/dbraw/zinc/87/12/32/666871232.db2.gz NLKVWVSNVXHWSH-NRFANRHFSA-N 0 0 310.419 0.918 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c(C)c2C)CC1 ZINC000734618403 666895921 /nfs/dbraw/zinc/89/59/21/666895921.db2.gz UWKATIFBCYSKKM-NSHDSACASA-N 0 0 322.365 0.263 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000735079774 666947069 /nfs/dbraw/zinc/94/70/69/666947069.db2.gz GAZCKFFCCDEKQM-IBGZPJMESA-N 0 0 317.392 0.578 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1cccc(F)c1 ZINC000735116304 666955917 /nfs/dbraw/zinc/95/59/17/666955917.db2.gz HDKVTOUNPYSVFP-HXUWFJFHSA-N 0 0 300.355 0.440 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC000702817036 666999831 /nfs/dbraw/zinc/99/98/31/666999831.db2.gz SRYADANOKNKCLY-MNOVXSKESA-N 0 0 310.354 0.367 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)Cn2ccnc2)C1 ZINC000702830304 667001152 /nfs/dbraw/zinc/00/11/52/667001152.db2.gz JYQPVFVTQLXLMB-NEPJUHHUSA-N 0 0 324.381 0.227 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000702840384 667010277 /nfs/dbraw/zinc/01/02/77/667010277.db2.gz CMPPONMKUIYMME-ONGXEEELSA-N 0 0 320.411 0.296 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)Nn1cnc2ccccc21 ZINC000118759447 667019183 /nfs/dbraw/zinc/01/91/83/667019183.db2.gz RJIMCRGUVSFEAV-UHFFFAOYSA-N 0 0 301.306 0.437 10 0 DCAERN Cc1c(C)c(N2CC[C@@H](NS(C)(=O)=O)C2)nnc1Cl ZINC000703164303 667064089 /nfs/dbraw/zinc/06/40/89/667064089.db2.gz VMDWHCIOYDAQRJ-SECBINFHSA-N 0 0 304.803 0.875 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(C3CC3)on2)cn1 ZINC000862925555 667093544 /nfs/dbraw/zinc/09/35/44/667093544.db2.gz KLRLGYGYOBULHH-GXTWGEPZSA-N 0 0 318.333 0.862 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000246158689 667116044 /nfs/dbraw/zinc/11/60/44/667116044.db2.gz HLJUBDUWAFEUSY-CHWSQXEVSA-N 0 0 307.350 0.631 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CCSC1 ZINC000704797011 667257444 /nfs/dbraw/zinc/25/74/44/667257444.db2.gz USDGIRPXFDEPQF-MNOVXSKESA-N 0 0 306.453 0.023 10 0 DCAERN C[C@@H]1CN(Cn2nnc3ccccc3c2=S)C[C@@H](C(N)=O)O1 ZINC000120198882 667275772 /nfs/dbraw/zinc/27/57/72/667275772.db2.gz YNNNRXLYJMUBBL-SKDRFNHKSA-N 0 0 319.390 0.693 10 0 DCAERN Cc1ccc2oc(=O)n(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c2c1 ZINC000120266056 667290089 /nfs/dbraw/zinc/29/00/89/667290089.db2.gz FQISPNDCJBBFNP-ZWNOBZJWSA-N 0 0 305.334 0.435 10 0 DCAERN COC(=O)[C@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120498170 667320701 /nfs/dbraw/zinc/32/07/01/667320701.db2.gz WWMSHURPBJWPTM-VIFPVBQESA-N 0 0 300.384 0.286 10 0 DCAERN CCC[C@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)C1 ZINC000708482240 667441834 /nfs/dbraw/zinc/44/18/34/667441834.db2.gz XVQBPIROFFDRLM-QWHCGFSZSA-N 0 0 302.440 0.802 10 0 DCAERN O=C1CCC(S(=O)(=O)N2CCSC[C@H]2CCO)CC1 ZINC000708185438 667442205 /nfs/dbraw/zinc/44/22/05/667442205.db2.gz BMNWDCOZXCZHJV-SNVBAGLBSA-N 0 0 307.437 0.628 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1cnc(Cl)c(F)c1 ZINC000707057151 667430883 /nfs/dbraw/zinc/43/08/83/667430883.db2.gz QHJQQWOQONVGLA-IUCAKERBSA-N 0 0 310.734 0.302 10 0 DCAERN Cc1ccc(N)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000707497530 667440674 /nfs/dbraw/zinc/44/06/74/667440674.db2.gz PNGCHIIOCQLFNP-JTQLQIEISA-N 0 0 318.420 0.385 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1cccc(F)c1 ZINC000708274747 667442439 /nfs/dbraw/zinc/44/24/39/667442439.db2.gz OHLSTNFEQYCPKZ-UHFFFAOYSA-N 0 0 324.399 0.432 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000710125348 667445973 /nfs/dbraw/zinc/44/59/73/667445973.db2.gz SYJOJWLHVPUNTK-GOSISDBHSA-N 0 0 314.429 0.622 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(CCS(C)(=O)=O)CC1 ZINC000134213902 667523252 /nfs/dbraw/zinc/52/32/52/667523252.db2.gz YMQGXTCMEBOCMX-GFCCVEGCSA-N 0 0 304.456 0.904 10 0 DCAERN Nc1ccnc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000135155697 667573152 /nfs/dbraw/zinc/57/31/52/667573152.db2.gz AVIILWOGHOVCJR-VXGBXAGGSA-N 0 0 304.350 0.976 10 0 DCAERN CCCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000135170372 667575767 /nfs/dbraw/zinc/57/57/67/667575767.db2.gz AGLTWXHMXSKJGZ-SECBINFHSA-N 0 0 316.345 0.564 10 0 DCAERN CC(=O)CCN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000135591438 667612826 /nfs/dbraw/zinc/61/28/26/667612826.db2.gz UDIMVNWGXOOULC-AWEZNQCLSA-N 0 0 316.361 0.544 10 0 DCAERN O=C(CN1CCCC2(C1)OCCO2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000136148713 667697051 /nfs/dbraw/zinc/69/70/51/667697051.db2.gz GTPAMBFNVPVAPG-GJZGRUSLSA-N 0 0 324.421 0.995 10 0 DCAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(N)=O ZINC000122985334 667717362 /nfs/dbraw/zinc/71/73/62/667717362.db2.gz RYDWFJWTYAWVNJ-YMTOWFKASA-N 0 0 317.345 0.632 10 0 DCAERN COC(=O)CCN(Cn1nc(C(=O)OC)ccc1=O)C(C)C ZINC000739852474 667721035 /nfs/dbraw/zinc/72/10/35/667721035.db2.gz IHIOBKMRUWLTRD-UHFFFAOYSA-N 0 0 311.338 0.261 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)Nc2cccn(C)c2=O)C1=O ZINC000886075253 667729223 /nfs/dbraw/zinc/72/92/23/667729223.db2.gz GNIYBSCGNSFHIO-LBPRGKRZSA-N 0 0 307.350 0.351 10 0 DCAERN CC(C)OCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C ZINC000886084773 667730272 /nfs/dbraw/zinc/73/02/72/667730272.db2.gz GRSGFZRABJXVGG-BXUZGUMPSA-N 0 0 308.382 0.623 10 0 DCAERN CC(C)c1cc(N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886095360 667731381 /nfs/dbraw/zinc/73/13/81/667731381.db2.gz TUKUPIFQWPZLBK-MRXNPFEDSA-N 0 0 320.393 0.966 10 0 DCAERN NC(=O)[C@]1(N2CCN(c3ccncc3Cl)CC2)CCOC1 ZINC000886094981 667731465 /nfs/dbraw/zinc/73/14/65/667731465.db2.gz JFKIJUVTGAWWMN-AWEZNQCLSA-N 0 0 310.785 0.501 10 0 DCAERN COc1ncc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)s1 ZINC000717381559 667735902 /nfs/dbraw/zinc/73/59/02/667735902.db2.gz ZDAXSEHTJUMKMP-RXMQYKEDSA-N 0 0 320.314 0.743 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000717385416 667744221 /nfs/dbraw/zinc/74/42/21/667744221.db2.gz MRCMINYOTBHFKL-XRGYYRRGSA-N 0 0 323.574 0.969 10 0 DCAERN C[C@H](O)[C@@H](O)CNC(=O)c1ccc(Br)cc1O ZINC000717388928 667749692 /nfs/dbraw/zinc/74/96/92/667749692.db2.gz YHAKDNUVDVJKQJ-WKEGUHRASA-N 0 0 304.140 0.626 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCCOC[C@@H]1CCOC1 ZINC000740917270 667754411 /nfs/dbraw/zinc/75/44/11/667754411.db2.gz MYUVKGUKQSSOJV-FKIZINRSSA-N 0 0 306.428 0.497 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000741076321 667758206 /nfs/dbraw/zinc/75/82/06/667758206.db2.gz FXKXOTBIQCHOHH-OAQYLSRUSA-N 0 0 313.379 0.441 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000741088196 667758663 /nfs/dbraw/zinc/75/86/63/667758663.db2.gz NVJDDPWVOYPFNC-OAQYLSRUSA-N 0 0 311.407 0.844 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1cc2c([nH]c1=O)CCC2 ZINC000741088195 667758730 /nfs/dbraw/zinc/75/87/30/667758730.db2.gz NVJDDPWVOYPFNC-NRFANRHFSA-N 0 0 311.407 0.844 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N(C)C[C@H]1CCn2ccnc2C1 ZINC000888536817 667763579 /nfs/dbraw/zinc/76/35/79/667763579.db2.gz JXGFJPGLGHSTBP-LBPRGKRZSA-N 0 0 317.397 0.951 10 0 DCAERN CCC1N=NC(=S)N1CCNC(=O)Cn1nc(C)cc1C ZINC000742188004 667782926 /nfs/dbraw/zinc/78/29/26/667782926.db2.gz KBRBFEAIFXBWGF-UHFFFAOYSA-N 0 0 308.411 0.759 10 0 DCAERN COC(=O)/C(C)=C\CSc1nnc(N2CCOCC2)n1C ZINC000742207245 667783585 /nfs/dbraw/zinc/78/35/85/667783585.db2.gz YEAJZKTVWAGFOM-WMZJFQQLSA-N 0 0 312.395 0.863 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)Cc1ccc(Br)cc1F ZINC000717420393 667799578 /nfs/dbraw/zinc/79/95/78/667799578.db2.gz VGZZHLWLANDEAI-RDDDGLTNSA-N 0 0 320.158 0.989 10 0 DCAERN CS(=O)(=O)NCCNC(=S)NNc1cccc(F)c1F ZINC000743003947 667801168 /nfs/dbraw/zinc/80/11/68/667801168.db2.gz FHPHJLNNFBSDET-UHFFFAOYSA-N 0 0 324.378 0.305 10 0 DCAERN CS[C@@H]1CCC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300657518 667888515 /nfs/dbraw/zinc/88/85/15/667888515.db2.gz IPVWEPLGXZXIBI-SDDRHHMPSA-N 0 0 320.480 0.554 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cc(F)c[nH]c2=O)cn1 ZINC000826629780 668137975 /nfs/dbraw/zinc/13/79/75/668137975.db2.gz OMAOEIJMGZFAIE-NWDGAFQWSA-N 0 0 322.296 0.236 10 0 DCAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)c1cccs1 ZINC000124942272 668169891 /nfs/dbraw/zinc/16/98/91/668169891.db2.gz RKVPZXDUFLVXED-ZJUUUORDSA-N 0 0 302.421 0.702 10 0 DCAERN NC(=O)c1ccccc1NC(=O)CN1CCN(C2CC2)CC1 ZINC000125928502 668445192 /nfs/dbraw/zinc/44/51/92/668445192.db2.gz VHSZUOBGCFZWLI-UHFFFAOYSA-N 0 0 302.378 0.504 10 0 DCAERN COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1F ZINC000126486141 668611563 /nfs/dbraw/zinc/61/15/63/668611563.db2.gz NMNJTYKOSREALN-JTQLQIEISA-N 0 0 316.354 0.550 10 0 DCAERN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c(C)c1O ZINC000126541209 668621919 /nfs/dbraw/zinc/62/19/19/668621919.db2.gz DDOGKPFTQFDBBW-NSHDSACASA-N 0 0 312.391 0.724 10 0 DCAERN CCc1ccccc1CNC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126799167 668659496 /nfs/dbraw/zinc/65/94/96/668659496.db2.gz MTYSQQNIGKCFMH-CQSZACIVSA-N 0 0 310.419 0.642 10 0 DCAERN CNC(=O)[C@H]1C[N@H+](C/C(C)=C/C(=O)OC)C[C@@H]1c1cnn(C)c1 ZINC000930431769 669016220 /nfs/dbraw/zinc/01/62/20/669016220.db2.gz HUSWGKCMVNVCFD-BKUFQFCKSA-N 0 0 320.393 0.301 10 0 DCAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCN(C)[C@@H](CO)C1 ZINC000931412496 669199454 /nfs/dbraw/zinc/19/94/54/669199454.db2.gz HZYFUCZLXUOCKK-SQWLQELKSA-N 0 0 305.422 0.861 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000128564807 669257859 /nfs/dbraw/zinc/25/78/59/669257859.db2.gz LUDJIURCCKGBJY-GFCCVEGCSA-N 0 0 317.455 0.689 10 0 DCAERN CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O ZINC000131363357 669665704 /nfs/dbraw/zinc/66/57/04/669665704.db2.gz YEFWINDVWNFETO-HNNXBMFYSA-N 0 0 321.381 0.492 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000131863124 669690058 /nfs/dbraw/zinc/69/00/58/669690058.db2.gz WKKYLDXIKRLKIG-NSHDSACASA-N 0 0 320.418 0.932 10 0 DCAERN CCc1cccc(CC(=O)NCCOCCS(C)(=O)=O)c1 ZINC000155609654 669833724 /nfs/dbraw/zinc/83/37/24/669833724.db2.gz YEIUWEYKOGIEKO-UHFFFAOYSA-N 0 0 313.419 0.969 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000156137088 669838390 /nfs/dbraw/zinc/83/83/90/669838390.db2.gz ZHAYUCIFFVKTSB-APPZFPTMSA-N 0 0 314.773 0.351 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000158673779 669927900 /nfs/dbraw/zinc/92/79/00/669927900.db2.gz FXMCTBNXLCOACB-SBKAZYGRSA-N 0 0 303.428 0.454 10 0 DCAERN C[C@H]1OCC[C@H]1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000187753063 669951022 /nfs/dbraw/zinc/95/10/22/669951022.db2.gz FIJFHNYVWUQYBB-BXKDBHETSA-N 0 0 304.302 0.410 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)NCCCN1CCCC1=O ZINC000188301014 669999586 /nfs/dbraw/zinc/99/95/86/669999586.db2.gz PITOAWOSPSKLDM-UHFFFAOYSA-N 0 0 304.394 0.960 10 0 DCAERN Cn1cc(NC(=O)NN=c2cc(Cl)nc(N)[nH]2)ccc1=O ZINC000191416479 670021255 /nfs/dbraw/zinc/02/12/55/670021255.db2.gz BLRNJYRRSOGYHY-UHFFFAOYSA-N 0 0 309.717 0.560 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000078432501 670029984 /nfs/dbraw/zinc/02/99/84/670029984.db2.gz AZCZUCOELNUGIT-DZGCQCFKSA-N 0 0 307.394 0.740 10 0 DCAERN CN(CC(C)(C)S(C)(=O)=O)C(=O)c1c(O)cccc1O ZINC000713902535 670169142 /nfs/dbraw/zinc/16/91/42/670169142.db2.gz FRLJASGIIMINEL-UHFFFAOYSA-N 0 0 301.364 0.993 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)CC(F)(F)C(F)(F)F)CC1 ZINC000713998840 670173224 /nfs/dbraw/zinc/17/32/24/670173224.db2.gz BSXWLABQYSJZOL-UHFFFAOYSA-N 0 0 310.244 0.511 10 0 DCAERN O=S(=O)(NCC[C@@H]1CCCS1(=O)=O)c1ccccc1 ZINC000714324321 670184069 /nfs/dbraw/zinc/18/40/69/670184069.db2.gz UJSNIRXWOLSAEO-NSHDSACASA-N 0 0 303.405 0.932 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2occc2Br)C1 ZINC000714507717 670190486 /nfs/dbraw/zinc/19/04/86/670190486.db2.gz PLBQBMIAXRYCAO-UHFFFAOYSA-N 0 0 304.096 0.402 10 0 DCAERN C[C@]1(CO)CN(S(=O)(=O)CCCC2CC2)C[C@@]1(C)CO ZINC000715052563 670203072 /nfs/dbraw/zinc/20/30/72/670203072.db2.gz ZNEAUNDHYWGENQ-OKILXGFUSA-N 0 0 305.440 0.819 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1CCCS1 ZINC000715907920 670225867 /nfs/dbraw/zinc/22/58/67/670225867.db2.gz FYAPYQRPQVHTHG-JTQLQIEISA-N 0 0 310.441 0.601 10 0 DCAERN Cn1c(=O)c2ccc(C(=O)OCc3ccoc3)nc2n(C)c1=O ZINC000194203756 670412567 /nfs/dbraw/zinc/41/25/67/670412567.db2.gz FCFJECRMWZBDGX-UHFFFAOYSA-N 0 0 315.285 0.582 10 0 DCAERN O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCN(C2CC2)CC1 ZINC000082355866 670475815 /nfs/dbraw/zinc/47/58/15/670475815.db2.gz FSIWSDXKOPRZEF-LLVKDONJSA-N 0 0 319.327 0.846 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC000116831954 671125841 /nfs/dbraw/zinc/12/58/41/671125841.db2.gz FACWLFGNARTHBS-LLVKDONJSA-N 0 0 304.412 0.486 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2nccc2-c2cccnc2)C1 ZINC000116869788 671132282 /nfs/dbraw/zinc/13/22/82/671132282.db2.gz REQZWOMXCMBJPZ-ZDUSSCGKSA-N 0 0 321.406 0.526 10 0 DCAERN COCCCCN(C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000397344858 1158097184 /nfs/dbraw/zinc/09/71/84/1158097184.db2.gz NFUIAWUVUUTZEX-UHFFFAOYSA-N 0 0 303.384 0.171 10 0 DCAERN C[C@@H]1CC[C@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)O1 ZINC000398075545 1158113397 /nfs/dbraw/zinc/11/33/97/1158113397.db2.gz INXZNLXMLLKURQ-RKDXNWHRSA-N 0 0 318.420 0.622 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC2(C1)OCCO2 ZINC000104121682 671909521 /nfs/dbraw/zinc/90/95/21/671909521.db2.gz IQCCPLFBRVXOBI-UHFFFAOYSA-N 0 0 304.346 0.700 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105817583 672235511 /nfs/dbraw/zinc/23/55/11/672235511.db2.gz FXLPPQMCNWKQMS-GJZGRUSLSA-N 0 0 317.389 0.000 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(Cl)ncc1Br ZINC000393850373 685265691 /nfs/dbraw/zinc/26/56/91/685265691.db2.gz WAURWTMYSFABTI-UHFFFAOYSA-N 0 0 321.562 0.896 10 0 DCAERN CN(CCCO)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000395908887 685269201 /nfs/dbraw/zinc/26/92/01/685269201.db2.gz PAUSPSZUNIMZIE-SFHVURJKSA-N 0 0 306.409 0.702 10 0 DCAERN C[C@@H](CNC(=O)c1nc(Cl)ccc1Cl)S(N)(=O)=O ZINC000398277612 685274729 /nfs/dbraw/zinc/27/47/29/685274729.db2.gz JRURREMKWMWILC-YFKPBYRVSA-N 0 0 312.178 0.795 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@H](C3OCCO3)C2)no1 ZINC000719051983 685307671 /nfs/dbraw/zinc/30/76/71/685307671.db2.gz SSRQYIQHUCDSMT-NSHDSACASA-N 0 0 316.379 0.898 10 0 DCAERN CO[C@]1(C(=O)NCc2cc(Br)no2)CCOC1 ZINC000719347096 685309079 /nfs/dbraw/zinc/30/90/79/685309079.db2.gz FTRYHBNPVMEQPI-SNVBAGLBSA-N 0 0 305.128 0.859 10 0 DCAERN CN(CCS(N)(=O)=O)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000719396965 685310395 /nfs/dbraw/zinc/31/03/95/685310395.db2.gz NMISMHHCWVEZKV-NSHDSACASA-N 0 0 318.782 0.390 10 0 DCAERN CO[C@]1(CNC(=O)c2cccnc2Cl)CCS(=O)(=O)C1 ZINC000720850164 685316406 /nfs/dbraw/zinc/31/64/06/685316406.db2.gz ZTJBCPTXIGWMHR-LBPRGKRZSA-N 0 0 318.782 0.669 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000720095207 685312214 /nfs/dbraw/zinc/31/22/14/685312214.db2.gz BBJDCZGTFWSRDR-SSDOTTSWSA-N 0 0 315.171 0.277 10 0 DCAERN CC[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(=O)[O-] ZINC000720479764 685313596 /nfs/dbraw/zinc/31/35/96/685313596.db2.gz BTZSMWQLLGXQMR-GARJFASQSA-N 0 0 301.412 0.729 10 0 DCAERN CC[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(=O)[O-] ZINC000720479763 685313685 /nfs/dbraw/zinc/31/36/85/685313685.db2.gz BTZSMWQLLGXQMR-DCAQKATOSA-N 0 0 301.412 0.729 10 0 DCAERN CO[C@]1(CNC(=O)c2ccc(Cl)nn2)CCS(=O)(=O)C1 ZINC000720851351 685316541 /nfs/dbraw/zinc/31/65/41/685316541.db2.gz KJTBHRQRBFBUEE-NSHDSACASA-N 0 0 319.770 0.064 10 0 DCAERN CO[C@]1(CNC(=O)c2ccc(F)nc2)CCS(=O)(=O)C1 ZINC000720845938 685315206 /nfs/dbraw/zinc/31/52/06/685315206.db2.gz OCBTXONNWIGMSP-LBPRGKRZSA-N 0 0 302.327 0.154 10 0 DCAERN CO[C@]1(CNCc2c(Cl)c(C)nn2C)CCS(=O)(=O)C1 ZINC000720935072 685317192 /nfs/dbraw/zinc/31/71/92/685317192.db2.gz QNGNJIOKCFLENE-LBPRGKRZSA-N 0 0 321.830 0.675 10 0 DCAERN CO[C@@]1(CNc2ccc([C@@H](C)O)cn2)CCS(=O)(=O)C1 ZINC000721187760 685318370 /nfs/dbraw/zinc/31/83/70/685318370.db2.gz SITPVUFRTKCTBS-ZWNOBZJWSA-N 0 0 300.380 0.751 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2C[C@H](CO)[C@H](O)C2)c1C ZINC000722576161 685319456 /nfs/dbraw/zinc/31/94/56/685319456.db2.gz DADLBPMZCAZFAI-GHMZBOCLSA-N 0 0 305.421 0.647 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(Br)ccc1F ZINC000096726665 685112595 /nfs/dbraw/zinc/11/25/95/685112595.db2.gz DSSVLIWCYHLTDR-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCOCC2CC2)[C@H](C)CO1 ZINC000172989428 685142992 /nfs/dbraw/zinc/14/29/92/685142992.db2.gz XVKJFWYPEAXCAF-VXGBXAGGSA-N 0 0 306.428 0.747 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246830183 685166889 /nfs/dbraw/zinc/16/68/89/685166889.db2.gz OKMGYKSHKXODOX-NWDGAFQWSA-N 0 0 305.444 0.545 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CC(=O)N3CCO[C@@H](C)C3)CCO2)c1 ZINC000247083553 685169878 /nfs/dbraw/zinc/16/98/78/685169878.db2.gz HDKOSZBBHIJDRS-GJZGRUSLSA-N 0 0 322.409 0.140 10 0 DCAERN COC(=O)[C@H]1CC(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000248412776 685174935 /nfs/dbraw/zinc/17/49/35/685174935.db2.gz FQQNFXDWTWIYMH-NEPJUHHUSA-N 0 0 306.366 0.188 10 0 DCAERN COC(=O)[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCc3c2cnn3C)O1 ZINC000249271577 685179034 /nfs/dbraw/zinc/17/90/34/685179034.db2.gz JGIMPWONGOUVST-YUTCNCBUSA-N 0 0 321.377 0.977 10 0 DCAERN CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000251933581 685185649 /nfs/dbraw/zinc/18/56/49/685185649.db2.gz ZNJDRIBOBWTDRW-FRRDWIJNSA-N 0 0 302.440 0.848 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2ncccc2Br)C1 ZINC000383427680 685242814 /nfs/dbraw/zinc/24/28/14/685242814.db2.gz BKFIFOCFZYILLJ-LLVKDONJSA-N 0 0 300.156 0.266 10 0 DCAERN CCOc1n[nH]c(NC(=O)c2cnn(C)c2Br)n1 ZINC000379130104 685234776 /nfs/dbraw/zinc/23/47/76/685234776.db2.gz UCCLEMGWJHPIIC-UHFFFAOYSA-N 0 0 315.131 0.952 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC000380146993 1158003265 /nfs/dbraw/zinc/00/32/65/1158003265.db2.gz WNBDBWPBDXAVQN-SSDOTTSWSA-N 0 0 317.754 0.127 10 0 DCAERN O=C(Nc1ccnn1C[C@H]1CCOC1)N[C@H]1CCCNC1=O ZINC000332968499 1158257132 /nfs/dbraw/zinc/25/71/32/1158257132.db2.gz ILZOENFZTHOSTC-MNOVXSKESA-N 0 0 307.354 0.320 10 0 DCAERN c1cnc2nc(Cc3nc(COC[C@@H]4CCOC4)no3)nn2c1 ZINC000348339733 1158881821 /nfs/dbraw/zinc/88/18/21/1158881821.db2.gz KTCMKNJJEUPKBW-SNVBAGLBSA-N 0 0 316.321 0.651 10 0 DCAERN CC(=O)N1CCC(c2nc(CC(=O)N3CCCC3)no2)CC1 ZINC000350739863 1159008268 /nfs/dbraw/zinc/00/82/68/1159008268.db2.gz SFSUCBFVTKNBHF-UHFFFAOYSA-N 0 0 306.366 0.960 10 0 DCAERN CCn1nnc2cc(C(=O)NCCNC(=O)C(C)C)ccc21 ZINC000021475198 1167103982 /nfs/dbraw/zinc/10/39/82/1167103982.db2.gz SNTAICJALJBYEJ-UHFFFAOYSA-N 0 0 303.366 0.953 10 0 DCAERN CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N1CCOCC1 ZINC000036106739 1171433044 /nfs/dbraw/zinc/43/30/44/1171433044.db2.gz UMXMRYCJUZFICJ-ZDUSSCGKSA-N 0 0 313.398 0.302 10 0 DCAERN O=C(Cn1c(=O)oc2ccccc21)NCCNC(=O)C1CC1 ZINC000041598028 1171511758 /nfs/dbraw/zinc/51/17/58/1171511758.db2.gz QFNUDKDKGMUTHK-UHFFFAOYSA-N 0 0 303.318 0.237 10 0 DCAERN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1nc2ccccc2[nH]1 ZINC000044441002 1171568027 /nfs/dbraw/zinc/56/80/27/1171568027.db2.gz UEOOTLAYRULUDY-UHFFFAOYSA-N 0 0 313.317 0.107 10 0 DCAERN Nc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000050671942 1171735064 /nfs/dbraw/zinc/73/50/64/1171735064.db2.gz PVYJPRXCTRSYCZ-UHFFFAOYSA-N 0 0 300.290 0.816 10 0 DCAERN CS(=O)(=O)NC1CCN(C(=O)c2ccc(F)cc2N)CC1 ZINC000062822679 1173062815 /nfs/dbraw/zinc/06/28/15/1173062815.db2.gz SQIIIVJAKAYGKX-UHFFFAOYSA-N 0 0 315.370 0.562 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000068292091 1173785463 /nfs/dbraw/zinc/78/54/63/1173785463.db2.gz GMCZGZSSLOHNNR-NSHDSACASA-N 0 0 304.306 0.206 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)NCCCCC(=O)OC ZINC000069244887 1173800931 /nfs/dbraw/zinc/80/09/31/1173800931.db2.gz SYAMBVOSWBUYKC-LLVKDONJSA-N 0 0 301.387 0.934 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)[C@@H](O)C2)c1CC ZINC000090147025 1175383933 /nfs/dbraw/zinc/38/39/33/1175383933.db2.gz UCQBUQWBUSEYIP-YGRLFVJLSA-N 0 0 322.409 0.807 10 0 DCAERN Cc1nc(C(=O)N2CCN(Cc3ccon3)CC2)c(=O)[nH]c1C ZINC000120985692 1176961905 /nfs/dbraw/zinc/96/19/05/1176961905.db2.gz PYRLQGRQVKXDPI-UHFFFAOYSA-N 0 0 317.349 0.333 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-n2cccn2)c(F)c1 ZINC000153516992 1180549000 /nfs/dbraw/zinc/54/90/00/1180549000.db2.gz VQVHSENEYDMIGW-NSHDSACASA-N 0 0 316.292 0.546 10 0 DCAERN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCCCC[C@H]1CO ZINC000156664803 1180557379 /nfs/dbraw/zinc/55/73/79/1180557379.db2.gz VUPOQQYDVSLRNN-JTQLQIEISA-N 0 0 315.395 0.050 10 0 DCAERN O=C(CC[C@H]1NC(=O)NC1=O)NCc1ccn(C2CCCC2)n1 ZINC000156413777 1180557402 /nfs/dbraw/zinc/55/74/02/1180557402.db2.gz RCUJPSKMVRCXOR-GFCCVEGCSA-N 0 0 319.365 0.603 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CC[C@@H](c2ncon2)C1 ZINC000238922293 1182445346 /nfs/dbraw/zinc/44/53/46/1182445346.db2.gz UDQBFHOKCLYXLX-LLVKDONJSA-N 0 0 311.305 0.675 10 0 DCAERN CS(=O)(=O)CCN1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000247164243 1183203177 /nfs/dbraw/zinc/20/31/77/1183203177.db2.gz ZAPRSDNSTIQNMU-ITGUQSILSA-N 0 0 300.424 0.221 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)NC3CC3)c2)NC(=O)NC1=O ZINC000171163650 1183713947 /nfs/dbraw/zinc/71/39/47/1183713947.db2.gz AEYQGRKIXLRJJK-OAHLLOKOSA-N 0 0 302.334 0.703 10 0 DCAERN O=C(Cn1nnc2ccccc21)NCCCO[C@@H]1CCOC1 ZINC000176889895 1184222811 /nfs/dbraw/zinc/22/28/11/1184222811.db2.gz HEAPTRCIJZNJJX-GFCCVEGCSA-N 0 0 304.350 0.743 10 0 DCAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)Cn1nnc2ccccc21 ZINC000177435254 1184227485 /nfs/dbraw/zinc/22/74/85/1184227485.db2.gz SAXCLWHUTRDOIZ-RYUDHWBXSA-N 0 0 304.350 0.742 10 0 DCAERN COC(=O)c1cc(C(=O)N2CC(CO)C2)n(-c2ccccc2)n1 ZINC000182105936 1185184179 /nfs/dbraw/zinc/18/41/79/1185184179.db2.gz GCXJIAJZUXRHFG-UHFFFAOYSA-N 0 0 315.329 0.723 10 0 DCAERN CN(C(=O)c1ccc2nnn(C)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000182332873 1185186824 /nfs/dbraw/zinc/18/68/24/1185186824.db2.gz IEUPRDWAYIYFAG-SNVBAGLBSA-N 0 0 308.363 0.227 10 0 DCAERN C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)c1nnnn1C1CC1 ZINC000188948202 1187834043 /nfs/dbraw/zinc/83/40/43/1187834043.db2.gz WKDBIYPBHGZINP-HQFGAJJPSA-N 0 0 320.397 0.871 10 0 DCAERN CO[C@H]1CN(Cc2nc(CS(C)(=O)=O)no2)CC[C@@H]1C ZINC000189277872 1187887842 /nfs/dbraw/zinc/88/78/42/1187887842.db2.gz QOQWASIOCQBONN-UWVGGRQHSA-N 0 0 303.384 0.471 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCCNC(=O)c1ccccc1O ZINC000192787774 1187963101 /nfs/dbraw/zinc/96/31/01/1187963101.db2.gz NWCGWXOFESZENS-VXGBXAGGSA-N 0 0 306.362 0.911 10 0 DCAERN CO[C@@]1(CO)CCCN(c2ccc(S(N)(=O)=O)cc2)C1 ZINC000401954150 1190080626 /nfs/dbraw/zinc/08/06/26/1190080626.db2.gz WSLVXCQXDHPCOP-ZDUSSCGKSA-N 0 0 300.380 0.312 10 0 DCAERN CN(C)C(=O)CNC(=O)c1cc(F)c(Br)cc1N ZINC000310959787 1190390819 /nfs/dbraw/zinc/39/08/19/1190390819.db2.gz DJOGZRBCJMQTST-UHFFFAOYSA-N 0 0 318.146 0.988 10 0 DCAERN COc1ccccc1NC(=O)NCCCCS(N)(=O)=O ZINC000312601618 1190394023 /nfs/dbraw/zinc/39/40/23/1190394023.db2.gz AVKXKENILHLCBW-UHFFFAOYSA-N 0 0 301.368 0.885 10 0 DCAERN CS(=O)(=O)NCCNCc1ncc(Br)s1 ZINC000380294563 1190699156 /nfs/dbraw/zinc/69/91/56/1190699156.db2.gz CJDJIQKALBSARE-UHFFFAOYSA-N 0 0 314.230 0.544 10 0 DCAERN COC(=O)c1ccc(CNCCS(=O)(=O)C(C)C)nc1 ZINC000383870000 1190699449 /nfs/dbraw/zinc/69/94/49/1190699449.db2.gz VNMJIUMCGRPVBR-UHFFFAOYSA-N 0 0 300.380 0.781 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[C@H](O)[C@H](C)C1 ZINC000588527859 747408066 /nfs/dbraw/zinc/40/80/66/747408066.db2.gz VTDQXYWQPFTAFF-BZPMIXESSA-N 0 0 306.410 0.917 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(=O)[O-])s2)C1 ZINC000400183582 774022792 /nfs/dbraw/zinc/02/27/92/774022792.db2.gz BKLZLSPRKUJKNZ-VIFPVBQESA-N 0 0 318.420 0.960 10 0 DCAERN O=C(c1cccc(Br)n1)N1C[C@H](O)[C@@H](CO)C1 ZINC000316616089 774970218 /nfs/dbraw/zinc/97/02/18/774970218.db2.gz AWJFKXJQCYCLTE-APPZFPTMSA-N 0 0 301.140 0.269 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(Cl)nn1 ZINC000708236452 939396958 /nfs/dbraw/zinc/39/69/58/939396958.db2.gz ZQTZIVHRRILHNK-UHFFFAOYSA-N 0 0 306.775 0.188 10 0 DCAERN Cc1[nH]c(C[NH2+]CCCN(C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000692481145 976503722 /nfs/dbraw/zinc/50/37/22/976503722.db2.gz VFPZKZCSRILWRU-UHFFFAOYSA-N 0 0 303.384 0.392 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccccc1 ZINC000081814364 192328077 /nfs/dbraw/zinc/32/80/77/192328077.db2.gz WDZOKQQXXISUTL-ZDUSSCGKSA-N 0 0 313.361 0.968 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1 ZINC000077139212 185111902 /nfs/dbraw/zinc/11/19/02/185111902.db2.gz HTBYBNOALGHVSQ-PHIMTYICSA-N 0 0 312.391 0.844 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188736234 529450145 /nfs/dbraw/zinc/45/01/45/529450145.db2.gz JJTXGDPCLXHXEQ-MCMMXHMISA-N 0 0 324.446 0.953 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328627370 231259710 /nfs/dbraw/zinc/25/97/10/231259710.db2.gz MSVGUEBCMHHCMO-UHFFFAOYSA-N 0 0 302.334 0.838 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000278983178 214552217 /nfs/dbraw/zinc/55/22/17/214552217.db2.gz YQNJWOJFQWNZRT-WSOGKROESA-N 0 0 314.385 0.813 10 0 DCAERN Cc1nc(C(=O)NC(C)(C)CCS(C)(=O)=O)c(=O)[nH]c1C ZINC000092483327 185321288 /nfs/dbraw/zinc/32/12/88/185321288.db2.gz PTWOYMNKPTXTBA-UHFFFAOYSA-N 0 0 315.395 0.330 10 0 DCAERN CCOC(=O)C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000092910682 185348644 /nfs/dbraw/zinc/34/86/44/185348644.db2.gz PXDYPGCKRRZSPO-UHFFFAOYSA-N 0 0 315.395 0.867 10 0 DCAERN Cc1nc2c(c(N3CC[C@H](NS(C)(=O)=O)C3)n1)CCCC2 ZINC000272817531 210217695 /nfs/dbraw/zinc/21/76/95/210217695.db2.gz DNLKXCVOGKOMTC-NSHDSACASA-N 0 0 310.423 0.792 10 0 DCAERN CC(=O)NCCCNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181478348 199303922 /nfs/dbraw/zinc/30/39/22/199303922.db2.gz CKBZAWPKIVFGSY-GFCCVEGCSA-N 0 0 322.413 0.542 10 0 DCAERN COCCN(C)S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015603 185397163 /nfs/dbraw/zinc/39/71/63/185397163.db2.gz LGOHQACEYLOWGI-ZDUSSCGKSA-N 0 0 315.395 0.358 10 0 DCAERN C[C@@H](C(=O)N(C)[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000364581904 295708661 /nfs/dbraw/zinc/70/86/61/295708661.db2.gz ZMADKRUOMYSGGL-WDEREUQCSA-N 0 0 309.366 0.487 10 0 DCAERN CN(CC(N)=O)C[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 ZINC000276427646 529852000 /nfs/dbraw/zinc/85/20/00/529852000.db2.gz LSHGCGWWYKIOQT-CYBMUJFWSA-N 0 0 323.368 0.013 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(C)C ZINC000178859306 529898066 /nfs/dbraw/zinc/89/80/66/529898066.db2.gz CUXXFRBFMUGJAM-ZDUSSCGKSA-N 0 0 318.377 0.717 10 0 DCAERN CNC(=O)c1cccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188439597 529948879 /nfs/dbraw/zinc/94/88/79/529948879.db2.gz GZSBMBUAOWHAND-LBPRGKRZSA-N 0 0 320.393 0.577 10 0 DCAERN CCC1(CC)CN(C(=O)C2(C(=O)NC)CC2)CCS1(=O)=O ZINC000408379328 282356410 /nfs/dbraw/zinc/35/64/10/282356410.db2.gz ZKHRGAQGZCSHBZ-UHFFFAOYSA-N 0 0 316.423 0.328 10 0 DCAERN CCC1(CC)CN(C(=O)CN(C)S(C)(=O)=O)CC[S@@]1=O ZINC000186763444 282358438 /nfs/dbraw/zinc/35/84/38/282358438.db2.gz JXCUYIMFZJWAIQ-LJQANCHMSA-N 0 0 324.468 0.028 10 0 DCAERN CCC1(CC)CN(C(=O)CNS(=O)(=O)CC)CC[S@@]1=O ZINC000186716041 282359042 /nfs/dbraw/zinc/35/90/42/282359042.db2.gz YYVXJPUPXMBCPH-LJQANCHMSA-N 0 0 324.468 0.075 10 0 DCAERN CNS(=O)(=O)CC(=O)NCc1ccccc1-n1cccn1 ZINC000370221277 290740619 /nfs/dbraw/zinc/74/06/19/290740619.db2.gz UTYOUBDEIWYPAP-UHFFFAOYSA-N 0 0 308.363 0.038 10 0 DCAERN CCc1nc2n(n1)C[C@H](Nc1ccc(C(=O)OC)nn1)CC2 ZINC000108948386 185542686 /nfs/dbraw/zinc/54/26/86/185542686.db2.gz JFLXSCNOQALSMF-SECBINFHSA-N 0 0 302.338 0.844 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@]1(C)CCCO1 ZINC000234578768 201903663 /nfs/dbraw/zinc/90/36/63/201903663.db2.gz WQUIISQKJUHXFI-NTZNESFSSA-N 0 0 305.396 0.817 10 0 DCAERN COC(=O)[C@H]([NH3+])CCn1cc(I)cn1 ZINC000070678689 545661394 /nfs/dbraw/zinc/66/13/94/545661394.db2.gz JCESCFJWIJHDBA-SSDOTTSWSA-N 0 0 309.107 0.378 10 0 DCAERN CCC1=C(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCO1 ZINC000373833579 282533108 /nfs/dbraw/zinc/53/31/08/282533108.db2.gz VNWAAQJVQRAIRI-HNNXBMFYSA-N 0 0 307.350 0.662 10 0 DCAERN CO[C@@H](C)CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000182001253 199372614 /nfs/dbraw/zinc/37/26/14/199372614.db2.gz BFJWQHSJEPSLMY-JTQLQIEISA-N 0 0 317.411 0.633 10 0 DCAERN C[C@H](NC(=O)NCCS(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000179200569 299155982 /nfs/dbraw/zinc/15/59/82/299155982.db2.gz ZODJQIAPGGCIQQ-JQWIXIFHSA-N 0 0 312.391 0.895 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000369169208 295796637 /nfs/dbraw/zinc/79/66/37/295796637.db2.gz YVXYXSLPWRHORW-NQBHXWOUSA-N 0 0 303.366 0.187 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCCCNC2=O)cn1 ZINC000171468312 186164153 /nfs/dbraw/zinc/16/41/53/186164153.db2.gz IYYHDEOYQWFZAI-CHWSQXEVSA-N 0 0 305.382 0.935 10 0 DCAERN CC(C)n1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000172012171 198026285 /nfs/dbraw/zinc/02/62/85/198026285.db2.gz MYNKDDKYEPHGSR-UHFFFAOYSA-N 0 0 319.409 0.387 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCCc2ccsc2)C1 ZINC000172057276 198031833 /nfs/dbraw/zinc/03/18/33/198031833.db2.gz QYNIEIXGXGHUFZ-NSHDSACASA-N 0 0 317.436 0.624 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000287212411 219384035 /nfs/dbraw/zinc/38/40/35/219384035.db2.gz FLLCOTPDSOSERD-LBPRGKRZSA-N 0 0 317.393 0.548 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172178530 198052385 /nfs/dbraw/zinc/05/23/85/198052385.db2.gz VCEDIMKHVLBRKN-STQMWFEESA-N 0 0 319.409 0.930 10 0 DCAERN CCn1c(C)nnc1CSc1nnc2[nH]c(=O)c(C)nn21 ZINC000172251410 198065887 /nfs/dbraw/zinc/06/58/87/198065887.db2.gz IWUYQOTVBLWIAL-UHFFFAOYSA-N 0 0 306.355 0.745 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172421503 198094792 /nfs/dbraw/zinc/09/47/92/198094792.db2.gz UUGPUGOCEOMODX-VIFPVBQESA-N 0 0 312.395 0.668 10 0 DCAERN CN1C[C@@H](NC(=O)NCCNC(=O)c2ccccc2)CCC1=O ZINC000172347087 198083328 /nfs/dbraw/zinc/08/33/28/198083328.db2.gz VHZCMAQZOJFXDT-ZDUSSCGKSA-N 0 0 318.377 0.336 10 0 DCAERN CN1C[C@@H](NC(=O)c2csc(-c3cnccn3)n2)CCC1=O ZINC000172493310 198105350 /nfs/dbraw/zinc/10/53/50/198105350.db2.gz FDXZGRRGXZVWEI-VIFPVBQESA-N 0 0 317.374 0.951 10 0 DCAERN Cn1cc(CCCNC(=O)CNC(=O)c2ccccn2)cn1 ZINC000172535968 198112108 /nfs/dbraw/zinc/11/21/08/198112108.db2.gz KJPFJCKAIUGAIT-UHFFFAOYSA-N 0 0 301.350 0.294 10 0 DCAERN CN(C)C(=O)Nc1cccc(C(=O)N2CCNC(=O)CC2)c1 ZINC000172539583 198112875 /nfs/dbraw/zinc/11/28/75/198112875.db2.gz JYKZAMIAFKTBIK-UHFFFAOYSA-N 0 0 304.350 0.742 10 0 DCAERN CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000172714884 198140167 /nfs/dbraw/zinc/14/01/67/198140167.db2.gz NVLWHYFXHLAYCB-DOMZBBRYSA-N 0 0 318.377 0.196 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000172964144 198170700 /nfs/dbraw/zinc/17/07/00/198170700.db2.gz QRZWVYMUEVMQDI-LBPRGKRZSA-N 0 0 319.390 0.739 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(COC)on3)CCO2)[nH]1 ZINC000173099714 198184336 /nfs/dbraw/zinc/18/43/36/198184336.db2.gz DFLFWOCPDIKKKZ-NSHDSACASA-N 0 0 321.337 0.715 10 0 DCAERN CCc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000182045545 199379225 /nfs/dbraw/zinc/37/92/25/199379225.db2.gz ZTSLQOIHFQRZHL-AWEZNQCLSA-N 0 0 305.378 0.484 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2)ncn1 ZINC000173444583 198215091 /nfs/dbraw/zinc/21/50/91/198215091.db2.gz YTJOMEQULKEVFK-LBPRGKRZSA-N 0 0 315.381 0.651 10 0 DCAERN Cc1nc(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)no1 ZINC000173398746 198209918 /nfs/dbraw/zinc/20/99/18/198209918.db2.gz CXZBNDDTSXWHBI-UHFFFAOYSA-N 0 0 322.346 0.142 10 0 DCAERN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000173792911 198252551 /nfs/dbraw/zinc/25/25/51/198252551.db2.gz ZDDOSBIIZRUMFX-UHFFFAOYSA-N 0 0 304.350 0.200 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763090 198248926 /nfs/dbraw/zinc/24/89/26/198248926.db2.gz RXBNGMKWTIUNOF-STQMWFEESA-N 0 0 318.826 0.997 10 0 DCAERN CN1CCO[C@@H](C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000173845119 198259088 /nfs/dbraw/zinc/25/90/88/198259088.db2.gz PAEIRRQXBBGZII-CYBMUJFWSA-N 0 0 301.350 0.214 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1N1CCOCC1 ZINC000173855037 198261493 /nfs/dbraw/zinc/26/14/93/198261493.db2.gz WCHKOZKFHGPVKA-UKRRQHHQSA-N 0 0 318.421 0.940 10 0 DCAERN CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000174087893 198290088 /nfs/dbraw/zinc/29/00/88/198290088.db2.gz CAFTWYYUBYANNM-ZWKOTPCHSA-N 0 0 322.449 0.953 10 0 DCAERN COCCN(CC(=O)NC1CCCC1)C(=O)c1csnn1 ZINC000004890312 181168614 /nfs/dbraw/zinc/16/86/14/181168614.db2.gz FXLMJOHFDAAVQR-UHFFFAOYSA-N 0 0 312.395 0.686 10 0 DCAERN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1)C(=O)N(C)C ZINC000191804442 299226653 /nfs/dbraw/zinc/22/66/53/299226653.db2.gz PNNCVRRFXKJKEP-JKOKRWQUSA-N 0 0 318.377 0.194 10 0 DCAERN CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)s1 ZINC000074773649 191358403 /nfs/dbraw/zinc/35/84/03/191358403.db2.gz QUQTYTXHSUOQCY-SNVBAGLBSA-N 0 0 304.437 0.919 10 0 DCAERN C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)[C@H]1CCCO1 ZINC000073720036 191347235 /nfs/dbraw/zinc/34/72/35/191347235.db2.gz KHULXXMGCHRIIW-ZWNOBZJWSA-N 0 0 306.366 0.416 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000075977088 191545703 /nfs/dbraw/zinc/54/57/03/191545703.db2.gz LSTHEVHMKPQIPK-YPMHNXCESA-N 0 0 311.407 0.814 10 0 DCAERN Cc1nnc(SCC(=O)Nc2ccccc2C(N)=O)n1N ZINC000005605529 181262831 /nfs/dbraw/zinc/26/28/31/181262831.db2.gz WJUAVBUAIKILJA-UHFFFAOYSA-N 0 0 306.351 0.130 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000132369977 291101906 /nfs/dbraw/zinc/10/19/06/291101906.db2.gz ICMMWNWXZOFKLK-ZIAGYGMSSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000177804488 198779867 /nfs/dbraw/zinc/77/98/67/198779867.db2.gz VVTAVLRMYIDUGH-MNOVXSKESA-N 0 0 317.349 0.339 10 0 DCAERN C[C@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1O ZINC000408096122 290534423 /nfs/dbraw/zinc/53/44/23/290534423.db2.gz VWRPQHOPEWURQR-NWDGAFQWSA-N 0 0 323.393 0.470 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N[C@H]3CCC(=O)NC3=O)[nH]n2)o1 ZINC000178565011 198889194 /nfs/dbraw/zinc/88/91/94/198889194.db2.gz WGMJLVCYTQOVGK-QMMMGPOBSA-N 0 0 302.290 0.513 10 0 DCAERN COc1n[nH]c(NC(=O)CCNC(=O)Cc2ccccc2)n1 ZINC000179360696 199022663 /nfs/dbraw/zinc/02/26/63/199022663.db2.gz SRJKJVVLANQXOR-UHFFFAOYSA-N 0 0 303.322 0.501 10 0 DCAERN COc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000179424839 199032703 /nfs/dbraw/zinc/03/27/03/199032703.db2.gz RFOGCCQDMIINBJ-ZWNOBZJWSA-N 0 0 304.346 0.795 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCS[C@H](C)[C@@H]2C)cn1 ZINC000179450284 199037559 /nfs/dbraw/zinc/03/75/59/199037559.db2.gz RWIMDNSDCAQEKI-VHSXEESVSA-N 0 0 311.411 0.987 10 0 DCAERN COc1cc(F)cc(CNC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000179454056 199037980 /nfs/dbraw/zinc/03/79/80/199037980.db2.gz CLSKXUWWPRUUBR-AWEZNQCLSA-N 0 0 311.357 0.964 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000091782817 283328187 /nfs/dbraw/zinc/32/81/87/283328187.db2.gz JXLDSJDEYWACOZ-LBPRGKRZSA-N 0 0 319.292 0.807 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2ccncc2)on1 ZINC000091778982 283328852 /nfs/dbraw/zinc/32/88/52/283328852.db2.gz UEBPHLYJNOVQEY-NSHDSACASA-N 0 0 302.290 0.063 10 0 DCAERN CCc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180212489 199131611 /nfs/dbraw/zinc/13/16/11/199131611.db2.gz REYNZIYPMMHDCN-CYBMUJFWSA-N 0 0 316.361 0.311 10 0 DCAERN COCCCN(C)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180448525 199160131 /nfs/dbraw/zinc/16/01/31/199160131.db2.gz RGFLCWPRUXPSCN-UHFFFAOYSA-N 0 0 317.349 0.905 10 0 DCAERN COCCCN(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181119212 199254892 /nfs/dbraw/zinc/25/48/92/199254892.db2.gz SOPFQHKPUKKXPI-UHFFFAOYSA-N 0 0 317.411 0.384 10 0 DCAERN COC1(CNS(=O)(=O)N2CCC[C@H](C)C2)CCOCC1 ZINC000119382825 545737889 /nfs/dbraw/zinc/73/78/89/545737889.db2.gz PUEDCMDXLSVQEL-LBPRGKRZSA-N 0 0 306.428 0.748 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176888611 295985372 /nfs/dbraw/zinc/98/53/72/295985372.db2.gz JIADHDWHJNYITL-IONNQARKSA-N 0 0 303.302 0.193 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)Cn1nnc2ccccc2c1=O ZINC000131259731 236972649 /nfs/dbraw/zinc/97/26/49/236972649.db2.gz NAXDWNCFBHGUDJ-QWRGUYRKSA-N 0 0 302.334 0.427 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000151052806 236997350 /nfs/dbraw/zinc/99/73/50/236997350.db2.gz YMHIVPTUFLSBQQ-YUMQZZPRSA-N 0 0 302.318 0.172 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCCC[C@H]1CO ZINC000151114405 236997987 /nfs/dbraw/zinc/99/79/87/236997987.db2.gz DZIUIRMOJZTJCF-IGQOVBAYSA-N 0 0 322.405 0.829 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000155769894 237046164 /nfs/dbraw/zinc/04/61/64/237046164.db2.gz BEBFZACRUHNXNZ-VHSXEESVSA-N 0 0 307.325 0.877 10 0 DCAERN C[C@@H]1CN(Cc2nsc(N(C)C)n2)C[C@@H]1N1CCOCC1 ZINC000156652944 237049659 /nfs/dbraw/zinc/04/96/59/237049659.db2.gz JSOVNRFZWDYKSF-NEPJUHHUSA-N 0 0 311.455 0.757 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCO[C@@H](C)[C@H]3C)nc2n1 ZINC000166067852 237118809 /nfs/dbraw/zinc/11/88/09/237118809.db2.gz OZSFWHIFUCCSEX-NEPJUHHUSA-N 0 0 303.366 0.919 10 0 DCAERN C[C@@H]1CSCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000172509392 237149706 /nfs/dbraw/zinc/14/97/06/237149706.db2.gz IWYPTYUBNZUWRQ-SECBINFHSA-N 0 0 307.379 0.094 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)N1CCCCC1 ZINC000178773518 237238711 /nfs/dbraw/zinc/23/87/11/237238711.db2.gz PDEXPUJQVZYCHT-CHWSQXEVSA-N 0 0 304.394 0.963 10 0 DCAERN O=C(NCCc1cccc(O)c1)c1cc2c(cn1)nc[nH]c2=O ZINC000186856172 237330476 /nfs/dbraw/zinc/33/04/76/237330476.db2.gz XYPMAHSEOKYWNO-UHFFFAOYSA-N 0 0 310.313 0.996 10 0 DCAERN O=C1CN(Cc2nc(COc3ccccc3F)no2)C(=O)N1 ZINC000188361707 237371655 /nfs/dbraw/zinc/37/16/55/237371655.db2.gz DGRVAVYVIJPVCV-UHFFFAOYSA-N 0 0 306.253 0.840 10 0 DCAERN C[C@@H](C(=O)NCc1cccs1)N1CCN(CCO)[C@H](C)C1 ZINC000187716027 200148738 /nfs/dbraw/zinc/14/87/38/200148738.db2.gz STSJHOXRCSMEID-OLZOCXBDSA-N 0 0 311.451 0.751 10 0 DCAERN COCCO[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000188585105 237373847 /nfs/dbraw/zinc/37/38/47/237373847.db2.gz NHCHMKHLNXCJQB-OLZOCXBDSA-N 0 0 306.428 0.700 10 0 DCAERN O=C(NCCNC(=O)c1cn2ccnc2s1)c1ccn[nH]1 ZINC000188778522 237380767 /nfs/dbraw/zinc/38/07/67/237380767.db2.gz ZJHZUXFQLQTWEM-UHFFFAOYSA-N 0 0 304.335 0.279 10 0 DCAERN NC(=O)c1cc(Cl)ccc1OC[C@H](O)CN1CCOCC1 ZINC000153537239 291207372 /nfs/dbraw/zinc/20/73/72/291207372.db2.gz RPWVDZKTSNUJIK-LLVKDONJSA-N 0 0 314.769 0.511 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188724572 200294246 /nfs/dbraw/zinc/29/42/46/200294246.db2.gz MWZXITCPQAUEBZ-GFCCVEGCSA-N 0 0 316.427 0.151 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000188726321 200294475 /nfs/dbraw/zinc/29/44/75/200294475.db2.gz RNPRAHGRSUUHSI-NSHDSACASA-N 0 0 302.371 0.513 10 0 DCAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1CCO ZINC000188726852 200295277 /nfs/dbraw/zinc/29/52/77/200295277.db2.gz KFZJIDJBLGWTSL-LBPRGKRZSA-N 0 0 316.398 0.654 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NCCC(=O)N1CCCCC1 ZINC000299686392 296009131 /nfs/dbraw/zinc/00/91/31/296009131.db2.gz ZJBDAFNKXAMYAZ-LBPRGKRZSA-N 0 0 308.386 0.368 10 0 DCAERN CSCCC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154949338 291216952 /nfs/dbraw/zinc/21/69/52/291216952.db2.gz PLJLVKQNGNOJFI-CYBMUJFWSA-N 0 0 313.467 0.895 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000155749871 291222062 /nfs/dbraw/zinc/22/20/62/291222062.db2.gz GAZQCLXBVHSHQY-SNVBAGLBSA-N 0 0 310.741 0.230 10 0 DCAERN CSC[C@H](CCO)NC(=O)CNC(=O)c1ccccc1C ZINC000156713550 291225760 /nfs/dbraw/zinc/22/57/60/291225760.db2.gz QOHDAHRDXLBNPV-LBPRGKRZSA-N 0 0 310.419 0.955 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)COCCOCC)C1 ZINC000157057575 291226944 /nfs/dbraw/zinc/22/69/44/291226944.db2.gz QWQHDKAEUAASOW-ZDUSSCGKSA-N 0 0 300.399 0.947 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccnn1C ZINC000157249537 291227794 /nfs/dbraw/zinc/22/77/94/291227794.db2.gz MAKQBKRDWZXZDL-LLVKDONJSA-N 0 0 311.345 0.949 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000163627139 291247056 /nfs/dbraw/zinc/24/70/56/291247056.db2.gz PXGJNMWVLKBVSJ-WDEREUQCSA-N 0 0 321.381 0.344 10 0 DCAERN OC[C@H]1CN(c2ncc(I)cn2)CCO1 ZINC000165207753 291248362 /nfs/dbraw/zinc/24/83/62/291248362.db2.gz OVYVLADLLADPBM-MRVPVSSYSA-N 0 0 321.118 0.279 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Br)c[nH]2)C1 ZINC000310544180 291251755 /nfs/dbraw/zinc/25/17/55/291251755.db2.gz UIBBHKVCCITGGL-DTWKUNHWSA-N 0 0 303.156 0.999 10 0 DCAERN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1COc2ccccc21 ZINC000129088771 296046225 /nfs/dbraw/zinc/04/62/25/296046225.db2.gz DIGNPAVYVUSAHV-PWSUYJOCSA-N 0 0 312.391 0.559 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000283545173 296047623 /nfs/dbraw/zinc/04/76/23/296047623.db2.gz UQPFGEJVTRBVGO-IRUJWGPZSA-N 0 0 303.366 0.179 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247127392 299336488 /nfs/dbraw/zinc/33/64/88/299336488.db2.gz QBQNGOPMHYXOES-GVXVVHGQSA-N 0 0 304.412 0.078 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NC[C@H]2CCCCO2)CCN1C ZINC000275356032 212289144 /nfs/dbraw/zinc/28/91/44/212289144.db2.gz ISJJYFKAWNQCCD-KGLIPLIRSA-N 0 0 321.425 0.987 10 0 DCAERN CCOC(=O)[C@H]1CN(c2nc(OC)cc(OC)n2)CC12COC2 ZINC000450573679 240634782 /nfs/dbraw/zinc/63/47/82/240634782.db2.gz YBQQHDPYEYBKQA-SNVBAGLBSA-N 0 0 323.349 0.510 10 0 DCAERN CCn1cnnc1CNC(=O)C(=O)Nc1cc(OC)ccc1F ZINC000447254679 240588273 /nfs/dbraw/zinc/58/82/73/240588273.db2.gz CLDNXYPSIYYAEI-UHFFFAOYSA-N 0 0 321.312 0.701 10 0 DCAERN Cc1cc2n(n1)CCCN(C(=O)C1CCN(CC(N)=O)CC1)C2 ZINC000091364599 193046186 /nfs/dbraw/zinc/04/61/86/193046186.db2.gz ADPHWHUJLHOEOS-UHFFFAOYSA-N 0 0 319.409 0.121 10 0 DCAERN Cn1cc(OCC(=O)NC2CCN(c3nccn3C)CC2)cn1 ZINC000567357625 291351184 /nfs/dbraw/zinc/35/11/84/291351184.db2.gz SESPEIYNIYBMSY-UHFFFAOYSA-N 0 0 318.381 0.318 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000091782276 193107116 /nfs/dbraw/zinc/10/71/16/193107116.db2.gz BMGFENBTFSQYSC-NSHDSACASA-N 0 0 316.279 0.961 10 0 DCAERN CC(C)COc1ccc(CC(=O)N2CCOC[C@H]2C(N)=O)cc1 ZINC000091783845 193107864 /nfs/dbraw/zinc/10/78/64/193107864.db2.gz BKVQPPMEZPTRNN-HNNXBMFYSA-N 0 0 320.389 0.977 10 0 DCAERN COc1ccc2c(CC(=O)N3CCOC[C@@H]3C(N)=O)coc2c1 ZINC000091785943 193108349 /nfs/dbraw/zinc/10/83/49/193108349.db2.gz QFZVKCRHQSQWSD-CYBMUJFWSA-N 0 0 318.329 0.697 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCOC2)CC12COC2 ZINC000454396264 240778306 /nfs/dbraw/zinc/77/83/06/240778306.db2.gz TWSRAXYODIAJPG-RYUDHWBXSA-N 0 0 312.366 0.244 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CCN[C@H](c2cccnc2)C1 ZINC000330178646 296084219 /nfs/dbraw/zinc/08/42/19/296084219.db2.gz DVXDZFWVAAWYFH-XUWVNRHRSA-N 0 0 317.389 0.606 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@@H]12)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000329537367 296084495 /nfs/dbraw/zinc/08/44/95/296084495.db2.gz UXNHBCSNYIUEGM-XNDJQWLSSA-N 0 0 309.284 0.564 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CSC(C)C ZINC000567538937 291360129 /nfs/dbraw/zinc/36/01/29/291360129.db2.gz GPTOLJHXWPKFIN-NXEZZACHSA-N 0 0 304.412 0.701 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1 ZINC000457753454 241032382 /nfs/dbraw/zinc/03/23/82/241032382.db2.gz VJHQXZOIUQFSQV-YNEHKIRRSA-N 0 0 322.405 0.697 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000487432500 241080351 /nfs/dbraw/zinc/08/03/51/241080351.db2.gz SOZNNOMHGMIQIE-SNVBAGLBSA-N 0 0 320.411 0.164 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC000489915024 241102559 /nfs/dbraw/zinc/10/25/59/241102559.db2.gz QYHGPVBFWUJIIE-UHFFFAOYSA-N 0 0 308.382 0.867 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccnnc2)CC12COC2 ZINC000459629430 241058299 /nfs/dbraw/zinc/05/82/99/241058299.db2.gz NSBVWEBEMUESCU-NSHDSACASA-N 0 0 306.322 0.520 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000493711847 241151411 /nfs/dbraw/zinc/15/14/11/241151411.db2.gz USJXPMSETHKAHQ-WDEREUQCSA-N 0 0 321.377 0.741 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000030876296 296111683 /nfs/dbraw/zinc/11/16/83/296111683.db2.gz UISCQXLDARHECY-SECBINFHSA-N 0 0 308.338 0.057 10 0 DCAERN Cn1c(CN2CCOC[C@@H]2C(N)=O)nc2cc(Cl)ccc21 ZINC000092229279 193177571 /nfs/dbraw/zinc/17/75/71/193177571.db2.gz ZIOVCBRCWIQVLU-GFCCVEGCSA-N 0 0 308.769 0.913 10 0 DCAERN Cc1cccc(Cl)c1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092229554 193177627 /nfs/dbraw/zinc/17/76/27/193177627.db2.gz UHCMQSVVTOWPKU-LLVKDONJSA-N 0 0 311.769 0.773 10 0 DCAERN COC(=O)[C@@H](C)Oc1ccc(CN2CCNC(=O)CC2)cc1 ZINC000093101922 193203323 /nfs/dbraw/zinc/20/33/23/193203323.db2.gz KQOLVPIMYPKPMB-GFCCVEGCSA-N 0 0 306.362 0.949 10 0 DCAERN COC(=O)[C@@H]1COCCN1C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000371096546 284131198 /nfs/dbraw/zinc/13/11/98/284131198.db2.gz CIYFCVPAEXXFBS-AWEZNQCLSA-N 0 0 317.341 0.758 10 0 DCAERN CNC(=O)c1cn(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000095347834 193425296 /nfs/dbraw/zinc/42/52/96/193425296.db2.gz PTPBJQNBTOODEH-JTQLQIEISA-N 0 0 309.370 0.895 10 0 DCAERN CCOC(=O)c1nc(S(C)(=O)=O)ncc1Br ZINC000095830930 193448768 /nfs/dbraw/zinc/44/87/68/193448768.db2.gz SENDGBJVMSPIDT-UHFFFAOYSA-N 0 0 309.141 0.819 10 0 DCAERN CC[C@@H](CO)NC(=S)NC(=O)c1cccc(C(=O)OC)c1 ZINC000010293853 181663912 /nfs/dbraw/zinc/66/39/12/181663912.db2.gz IDQCJWOLWGEENA-NSHDSACASA-N 0 0 310.375 0.848 10 0 DCAERN Cc1cc(NC(=O)[C@@H](NS(=O)(=O)N(C)C)C(C)C)no1 ZINC000012028302 181724554 /nfs/dbraw/zinc/72/45/54/181724554.db2.gz YIWCBTGWRIGAMY-JTQLQIEISA-N 0 0 304.372 0.342 10 0 DCAERN O=C(c1cc(F)cc2n[nH]nc21)N1CCO[C@@]2(CCOC2)C1 ZINC000282745168 296178876 /nfs/dbraw/zinc/17/88/76/296178876.db2.gz NOXGDXFPKJHNOT-AWEZNQCLSA-N 0 0 306.297 0.729 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1C ZINC000282532628 217067854 /nfs/dbraw/zinc/06/78/54/217067854.db2.gz YYPPYUUCEPWIDE-WBMJQRKESA-N 0 0 319.409 0.152 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)Cc1ccccc1F ZINC000282607514 217122157 /nfs/dbraw/zinc/12/21/57/217122157.db2.gz RFLFCARGFIBCOI-JOYOIKCWSA-N 0 0 300.355 0.912 10 0 DCAERN C[C@]1(C(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC(=O)NC1 ZINC000282773016 217240704 /nfs/dbraw/zinc/24/07/04/217240704.db2.gz OYSUCIGVNLPUIN-WFASDCNBSA-N 0 0 305.382 0.433 10 0 DCAERN Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 ZINC000015205762 181992171 /nfs/dbraw/zinc/99/21/71/181992171.db2.gz CQKHENXHLAUMBH-NBEIVJTASA-N 0 0 322.313 0.308 10 0 DCAERN CNC(=O)c1ccc(NC(=O)CCC(=O)OCCOC)cc1 ZINC000020120091 182189088 /nfs/dbraw/zinc/18/90/88/182189088.db2.gz JJKVWQWWDROQTG-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN CCCNC(=O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000023251892 182354923 /nfs/dbraw/zinc/35/49/23/182354923.db2.gz RIMBYFAHGHMEND-MRXNPFEDSA-N 0 0 305.422 0.864 10 0 DCAERN O=C([O-])[C@H]1CCC[N@@H+]1C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038042742 304186986 /nfs/dbraw/zinc/18/69/86/304186986.db2.gz PXKSRKADXLZFJP-CHWSQXEVSA-N 0 0 316.423 0.187 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000573065154 291607855 /nfs/dbraw/zinc/60/78/55/291607855.db2.gz IVIOEOBZKWYURH-LLVKDONJSA-N 0 0 306.366 0.909 10 0 DCAERN O=S1(=O)CC[C@@H](Sc2nnnn2-c2ccc(O)cc2)C1 ZINC000037977708 182949380 /nfs/dbraw/zinc/94/93/80/182949380.db2.gz NNQXPLDVLBLJFZ-SNVBAGLBSA-N 0 0 312.376 0.647 10 0 DCAERN CCCS(=O)(=O)N[C@@H](C)C(=O)N(CC(=O)OCC)C(C)C ZINC000038013036 182963641 /nfs/dbraw/zinc/96/36/41/182963641.db2.gz RDPJFYDXIIOZHH-NSHDSACASA-N 0 0 322.427 0.504 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249023567 296260083 /nfs/dbraw/zinc/26/00/83/296260083.db2.gz KNUMPGKJLQMPJW-MGPQQGTHSA-N 0 0 309.410 0.367 10 0 DCAERN NS(=O)(=O)c1ccc(CCNC(=O)c2ccco2)s1 ZINC000040222445 183047237 /nfs/dbraw/zinc/04/72/37/183047237.db2.gz SUQOMOGHRHDHGF-UHFFFAOYSA-N 0 0 300.361 0.961 10 0 DCAERN CCOC(=O)Cn1c(CNC(=O)COC)nc2ccccc21 ZINC000040275599 183050732 /nfs/dbraw/zinc/05/07/32/183050732.db2.gz DECONPSDXWBEQE-UHFFFAOYSA-N 0 0 305.334 0.862 10 0 DCAERN COCC(=O)NCCCc1nc2ccccc2n1CC(N)=O ZINC000040300098 183052988 /nfs/dbraw/zinc/05/29/88/183052988.db2.gz NYTIMNUQLZTYPH-UHFFFAOYSA-N 0 0 304.350 0.217 10 0 DCAERN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1N ZINC000040328469 183055081 /nfs/dbraw/zinc/05/50/81/183055081.db2.gz PUTWEAUURJHBSP-JTQLQIEISA-N 0 0 318.420 0.467 10 0 DCAERN C[C@@H](CN(C)S(=O)(=O)CCc1ccccn1)C(N)=S ZINC000042457165 183272986 /nfs/dbraw/zinc/27/29/86/183272986.db2.gz ZRESOMHYJGRTAL-JTQLQIEISA-N 0 0 301.437 0.808 10 0 DCAERN CCOC(=O)C1(NCC(F)(F)F)CCS(=O)(=O)CC1 ZINC000042333092 183255525 /nfs/dbraw/zinc/25/55/25/183255525.db2.gz MBJPUUNZYMRXOG-UHFFFAOYSA-N 0 0 303.302 0.649 10 0 DCAERN C[C@H]([C@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1)N1CCOCC1 ZINC000104758679 194034960 /nfs/dbraw/zinc/03/49/60/194034960.db2.gz ZFZIRIKLYTUCHD-HZSPNIEDSA-N 0 0 319.471 0.662 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104797572 194042022 /nfs/dbraw/zinc/04/20/22/194042022.db2.gz NJHQWKBIRDKFEP-CABCVRRESA-N 0 0 307.394 0.658 10 0 DCAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCN2CCCC[C@@H]2C1 ZINC000104845417 194046009 /nfs/dbraw/zinc/04/60/09/194046009.db2.gz RZVRHYKRRUNGTL-GFCCVEGCSA-N 0 0 313.357 0.881 10 0 DCAERN C[C@@H](CNC(=O)N1CCNC(=O)CC1)N1CCc2ccccc21 ZINC000105150610 194079549 /nfs/dbraw/zinc/07/95/49/194079549.db2.gz DRTVKWHKOVKNPO-ZDUSSCGKSA-N 0 0 316.405 0.969 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000105215161 194085752 /nfs/dbraw/zinc/08/57/52/194085752.db2.gz SOGUVEXYIGPEQE-OCCSQVGLSA-N 0 0 309.414 0.457 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC000105282211 194093014 /nfs/dbraw/zinc/09/30/14/194093014.db2.gz FBWYYQIRYHYRGN-VHDGCEQUSA-N 0 0 305.378 0.275 10 0 DCAERN O=C(CCn1cccn1)N1CCCN(c2cccnn2)CC1 ZINC000105810788 194134974 /nfs/dbraw/zinc/13/49/74/194134974.db2.gz RMWXOUBGKAUGKL-UHFFFAOYSA-N 0 0 300.366 0.802 10 0 DCAERN CCc1noc([C@@H](C)N2CCN(CCCNC(C)=O)CC2)n1 ZINC000105865458 194149830 /nfs/dbraw/zinc/14/98/30/194149830.db2.gz FEQAYLQHVWNNJH-GFCCVEGCSA-N 0 0 309.414 0.837 10 0 DCAERN CCOCCN1CCN(CC(=O)Nc2cc(C)on2)C[C@@H]1C ZINC000105834490 194142763 /nfs/dbraw/zinc/14/27/63/194142763.db2.gz DGPGBCYDVPIXPT-LBPRGKRZSA-N 0 0 310.398 0.964 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893708 194160749 /nfs/dbraw/zinc/16/07/49/194160749.db2.gz YJCITZHUJOFNPW-AWEZNQCLSA-N 0 0 320.393 0.350 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105896286 194162254 /nfs/dbraw/zinc/16/22/54/194162254.db2.gz OINWTTBWTQLGEI-GFCCVEGCSA-N 0 0 307.398 0.928 10 0 DCAERN O=C(CN1CCC(Nc2cccnn2)CC1)NC[C@@H]1CCCO1 ZINC000105910222 194165950 /nfs/dbraw/zinc/16/59/50/194165950.db2.gz SCNDNDZNXQTFPE-AWEZNQCLSA-N 0 0 319.409 0.648 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000106393392 194205782 /nfs/dbraw/zinc/20/57/82/194205782.db2.gz YIPLIPBGDFVVJV-CHWSQXEVSA-N 0 0 314.430 0.129 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1cccc(C)c1 ZINC000106780621 194251822 /nfs/dbraw/zinc/25/18/22/194251822.db2.gz XTCVRCFPBHSWST-ZIAGYGMSSA-N 0 0 318.373 0.579 10 0 DCAERN CCCCN(C)C(=O)C[S@@](=O)CC(=O)N(C)CC1CC1 ZINC000360683723 261861712 /nfs/dbraw/zinc/86/17/12/261861712.db2.gz QUADFAJKKNBKQI-HXUWFJFHSA-N 0 0 302.440 0.862 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@H](c2nccs2)C1 ZINC000109327184 194257798 /nfs/dbraw/zinc/25/77/98/194257798.db2.gz GGOWFOFLZKCDOM-JTQLQIEISA-N 0 0 305.425 0.456 10 0 DCAERN CCNc1cc(S(=O)(=O)N2CCS(=O)CC2)ccn1 ZINC000050671301 183797278 /nfs/dbraw/zinc/79/72/78/183797278.db2.gz UWLSPIRULNLYSA-UHFFFAOYSA-N 0 0 303.409 0.266 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000109940011 194298841 /nfs/dbraw/zinc/29/88/41/194298841.db2.gz GHRUTMJCWMGZSO-SFYZADRCSA-N 0 0 307.272 0.776 10 0 DCAERN O=C(NCCCNC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000110322627 194322991 /nfs/dbraw/zinc/32/29/91/194322991.db2.gz PRCYSICCSDZPEQ-LLVKDONJSA-N 0 0 307.325 0.198 10 0 DCAERN Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CNC(=O)C2)c1C ZINC000110358000 194324511 /nfs/dbraw/zinc/32/45/11/194324511.db2.gz NOTGKBYWBHDLKE-SECBINFHSA-N 0 0 311.363 0.025 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110879663 194365754 /nfs/dbraw/zinc/36/57/54/194365754.db2.gz ROIKYPRNAZPMJR-SECBINFHSA-N 0 0 304.393 0.478 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111078949 194389153 /nfs/dbraw/zinc/38/91/53/194389153.db2.gz FEXXNOBNLBCYRC-AWEZNQCLSA-N 0 0 322.409 0.663 10 0 DCAERN CN1CC(=O)N(CC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000111051938 194387940 /nfs/dbraw/zinc/38/79/40/194387940.db2.gz XBOJKMQWPGLHFJ-QWHCGFSZSA-N 0 0 301.346 0.800 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111080794 194389011 /nfs/dbraw/zinc/38/90/11/194389011.db2.gz LWVIRZNPLXZLSL-ZDUSSCGKSA-N 0 0 308.382 0.417 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329618930 296317221 /nfs/dbraw/zinc/31/72/21/296317221.db2.gz GISFULMQCUYNBF-ZIAGYGMSSA-N 0 0 317.455 0.512 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000408018094 296318370 /nfs/dbraw/zinc/31/83/70/296318370.db2.gz XUZHLZFJGVDQMA-JHJVBQTASA-N 0 0 322.471 0.853 10 0 DCAERN O=S(=O)(N[C@H]1CCc2c1cccc2F)N1CCOCC1 ZINC000057020575 184025103 /nfs/dbraw/zinc/02/51/03/184025103.db2.gz LGBYSDQHUWLMDJ-ZDUSSCGKSA-N 0 0 300.355 0.980 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000056984080 184023614 /nfs/dbraw/zinc/02/36/14/184023614.db2.gz DIGQXBSUUFWGSM-QWHCGFSZSA-N 0 0 321.381 0.150 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000285986922 218732526 /nfs/dbraw/zinc/73/25/26/218732526.db2.gz MNTXKSMJLKKMTH-SECBINFHSA-N 0 0 313.301 0.416 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@H]1CCC[C@H]1C(N)=S ZINC000061886570 184191851 /nfs/dbraw/zinc/19/18/51/184191851.db2.gz PQKVZGZFOLSSIH-BDAKNGLRSA-N 0 0 308.425 0.314 10 0 DCAERN CNS(=O)(=O)c1cccc(N[C@H]2CCS(=O)(=O)C2)c1 ZINC000062961584 184262509 /nfs/dbraw/zinc/26/25/09/184262509.db2.gz OXISLXTXTBZGBC-JTQLQIEISA-N 0 0 304.393 0.194 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H]1CC(=O)NC1=O ZINC000063772276 184288379 /nfs/dbraw/zinc/28/83/79/184288379.db2.gz DMNCSPCPZJREMO-SECBINFHSA-N 0 0 302.242 0.081 10 0 DCAERN Cn1c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2oc1=O ZINC000064894361 184305892 /nfs/dbraw/zinc/30/58/92/184305892.db2.gz BYGKOSNNWFGGMR-UHFFFAOYSA-N 0 0 303.318 0.469 10 0 DCAERN CCCC(=O)N1CSC[C@H]1C(=O)NCCc1nc(C)no1 ZINC000066354227 184404771 /nfs/dbraw/zinc/40/47/71/184404771.db2.gz ZTZZBSSKIZSXLN-JTQLQIEISA-N 0 0 312.395 0.738 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)cc1F ZINC000088234614 252589461 /nfs/dbraw/zinc/58/94/61/252589461.db2.gz MIFDERBTOWAFCB-SECBINFHSA-N 0 0 305.313 0.702 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NC[C@@H](C)C[C@@H](C)O)cc1 ZINC000176135448 252602662 /nfs/dbraw/zinc/60/26/62/252602662.db2.gz CXFBCYYRQLNKPH-NWDGAFQWSA-N 0 0 308.378 0.948 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cc(Cn2cc(C)cn2)on1)C(C)C ZINC000179069229 252610503 /nfs/dbraw/zinc/61/05/03/252610503.db2.gz LINOHWCDUWZTRR-ZDUSSCGKSA-N 0 0 319.365 0.728 10 0 DCAERN C[C@@H](NC(=O)CN1C[C@@H](F)[C@@H](F)C1)C(=O)N1CCCCC1 ZINC000333430123 252721826 /nfs/dbraw/zinc/72/18/26/252721826.db2.gz NKOXALKBRJOXOK-UTUOFQBUSA-N 0 0 303.353 0.495 10 0 DCAERN COCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1C ZINC000329529339 285046278 /nfs/dbraw/zinc/04/62/78/285046278.db2.gz TVEQYCRLOQTRGW-ZQDZILKHSA-N 0 0 312.410 0.217 10 0 DCAERN COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000407987361 291856689 /nfs/dbraw/zinc/85/66/89/291856689.db2.gz CLUAXRJVGVPLTR-STQMWFEESA-N 0 0 310.394 0.903 10 0 DCAERN COc1ccnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299741439 533069436 /nfs/dbraw/zinc/06/94/36/533069436.db2.gz GBWDUPIPPWVOGG-MNOVXSKESA-N 0 0 310.329 0.261 10 0 DCAERN c1ncc(NC[C@H]2COCCO2)nc1NC[C@H]1COCCO1 ZINC000341571133 253396065 /nfs/dbraw/zinc/39/60/65/253396065.db2.gz HKJQUDKCCXTZGN-RYUDHWBXSA-N 0 0 310.354 0.131 10 0 DCAERN Cn1c2ccccc2c(Cl)c1C(=O)N1CC[C@](O)(C(N)=O)C1 ZINC000286438603 218989427 /nfs/dbraw/zinc/98/94/27/218989427.db2.gz HUHXHFVDJXLWQX-OAHLLOKOSA-N 0 0 321.764 0.894 10 0 DCAERN CC(C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000106001141 220440246 /nfs/dbraw/zinc/44/02/46/220440246.db2.gz LFCQPTPEYNEBIL-UHFFFAOYSA-N 0 0 302.352 0.601 10 0 DCAERN NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CN1CCc2ccccc2C1=O ZINC000347221726 254140393 /nfs/dbraw/zinc/14/03/93/254140393.db2.gz MYPVENRELGPQBB-AAEUAGOBSA-N 0 0 319.336 0.109 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000347797590 254191447 /nfs/dbraw/zinc/19/14/47/254191447.db2.gz NUMHAIDTZKBHMR-LBPRGKRZSA-N 0 0 319.361 0.855 10 0 DCAERN O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1cncc(F)c1 ZINC000349980168 254306925 /nfs/dbraw/zinc/30/69/25/254306925.db2.gz YVNRXPUWJJNVLJ-MRVPVSSYSA-N 0 0 302.249 0.812 10 0 DCAERN Cc1ccc(C)c(OCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000350618998 254319276 /nfs/dbraw/zinc/31/92/76/254319276.db2.gz GRMXVNPJASWAHY-LLVKDONJSA-N 0 0 300.380 0.475 10 0 DCAERN COc1cccc(C(=O)NC[C@H](C)S(N)(=O)=O)c1OC ZINC000350619036 254319356 /nfs/dbraw/zinc/31/93/56/254319356.db2.gz GZHRQSLDXGMGPU-QMMMGPOBSA-N 0 0 302.352 0.111 10 0 DCAERN COc1ccc(SCC(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000350629846 254321541 /nfs/dbraw/zinc/32/15/41/254321541.db2.gz SRDYHUOSWPGBLG-VIFPVBQESA-N 0 0 318.420 0.581 10 0 DCAERN CCN1CCCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000162998887 285193498 /nfs/dbraw/zinc/19/34/98/285193498.db2.gz FNRGKXZCELLYPB-GFCCVEGCSA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000408203640 299587094 /nfs/dbraw/zinc/58/70/94/299587094.db2.gz DURKVGXKSWOILW-GMTAPVOTSA-N 0 0 319.427 0.070 10 0 DCAERN COCCC1(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000152781117 533209115 /nfs/dbraw/zinc/20/91/15/533209115.db2.gz MHOFECURSVTWDD-RYUDHWBXSA-N 0 0 306.428 0.747 10 0 DCAERN COC[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000246374898 285301150 /nfs/dbraw/zinc/30/11/50/285301150.db2.gz RCHHXXMIRMPBKZ-OLZOCXBDSA-N 0 0 306.428 0.005 10 0 DCAERN Cc1ccnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000275572052 256625143 /nfs/dbraw/zinc/62/51/43/256625143.db2.gz IWCQCYKMWUZBME-LBPRGKRZSA-N 0 0 300.366 0.960 10 0 DCAERN CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)CC[C@@H]2S1(=O)=O ZINC000249685964 257107329 /nfs/dbraw/zinc/10/73/29/257107329.db2.gz GGHRLEYHMRTMRE-AVGNSLFASA-N 0 0 316.423 0.438 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H]3CN(C)S(=O)(=O)[C@H]3CC2)no1 ZINC000248142403 257107921 /nfs/dbraw/zinc/10/79/21/257107921.db2.gz QVLOPBHLWWNLCO-JQWIXIFHSA-N 0 0 313.379 0.479 10 0 DCAERN Cn1nnc2c1[C@H](COCC1CC1)CN(C(=O)[C@@H]1CCCO1)C2 ZINC000248060255 257110179 /nfs/dbraw/zinc/11/01/79/257110179.db2.gz PXBMZDOMLGDFCT-JSGCOSHPSA-N 0 0 320.393 0.847 10 0 DCAERN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 ZINC000247981251 257113619 /nfs/dbraw/zinc/11/36/19/257113619.db2.gz XLPARZMONLIMJL-ZDUSSCGKSA-N 0 0 314.411 0.300 10 0 DCAERN COc1ncccc1CN1CC[C@@H]2[C@@H]1CCN2S(C)(=O)=O ZINC000247882941 257114752 /nfs/dbraw/zinc/11/47/52/257114752.db2.gz QPLSFDUFYAZBDL-QWHCGFSZSA-N 0 0 311.407 0.698 10 0 DCAERN Cc1ccc(N2CCO[C@@H]3CN(S(=O)(=O)C4CC4)C[C@@H]32)nn1 ZINC000247918191 257115382 /nfs/dbraw/zinc/11/53/82/257115382.db2.gz NCIPABGHXFCQDB-QWHCGFSZSA-N 0 0 324.406 0.167 10 0 DCAERN COCC(=O)N1CC[C@@H]2O[C@H](C(=O)NCc3ccco3)CC[C@@H]21 ZINC000247854369 257116472 /nfs/dbraw/zinc/11/64/72/257116472.db2.gz STNGIQJFHFORNF-IHRRRGAJSA-N 0 0 322.361 0.691 10 0 DCAERN O=C(N1CCCO1)[C@]12CCO[C@H]1CCN(c1ncccn1)C2 ZINC000247755603 257118421 /nfs/dbraw/zinc/11/84/21/257118421.db2.gz XDSMXZHZYDWSSF-WFASDCNBSA-N 0 0 304.350 0.626 10 0 DCAERN O=C(c1cocn1)N1C[C@H]2COC[C@@]2(c2nnc(C3CC3)o2)C1 ZINC000247807523 257118656 /nfs/dbraw/zinc/11/86/56/257118656.db2.gz CFDHETODEAGVDG-BONVTDFDSA-N 0 0 316.317 0.975 10 0 DCAERN CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)C3CCC3)C[C@H]21 ZINC000247505471 257119632 /nfs/dbraw/zinc/11/96/32/257119632.db2.gz GVIHBJPQTGPVQN-VXGBXAGGSA-N 0 0 302.396 0.048 10 0 DCAERN C[C@@H](O)CN(C(=O)c1cnc(-c2cnn(C)c2)s1)[C@H](C)CO ZINC000189311608 533639739 /nfs/dbraw/zinc/63/97/39/533639739.db2.gz CUOHBWWFFNWVEO-NXEZZACHSA-N 0 0 324.406 0.747 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)NCCn2cccc2)CCN1C ZINC000275339781 130306079 /nfs/dbraw/zinc/30/60/79/130306079.db2.gz ATKCUNNIWGFRSD-AWEZNQCLSA-N 0 0 316.409 0.920 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284005509 131040260 /nfs/dbraw/zinc/04/02/60/131040260.db2.gz MSRADTGWEOLJMG-KBPBESRZSA-N 0 0 320.393 0.705 10 0 DCAERN Cc1nc2ccc(NC(=O)N[C@H]3CCC(=O)N(C)C3)cn2n1 ZINC000284145909 131052605 /nfs/dbraw/zinc/05/26/05/131052605.db2.gz VOYNWKJWFCCQMH-JTQLQIEISA-N 0 0 302.338 0.780 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367742 131074507 /nfs/dbraw/zinc/07/45/07/131074507.db2.gz FDVCDIRURQSULQ-OLZOCXBDSA-N 0 0 301.350 0.274 10 0 DCAERN CN(C)C(=O)COC[C@H]1CN(Cc2ccon2)CC(C)(C)O1 ZINC000284456666 131082256 /nfs/dbraw/zinc/08/22/56/131082256.db2.gz DJSMMUCFGHSJTR-CYBMUJFWSA-N 0 0 311.382 0.759 10 0 DCAERN O=C(CCOc1ccccc1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284505548 131086877 /nfs/dbraw/zinc/08/68/77/131086877.db2.gz COOONTGIGHVNSY-OAHLLOKOSA-N 0 0 302.334 0.694 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2cccc(C(N)=O)c2)C1 ZINC000284647999 131101295 /nfs/dbraw/zinc/10/12/95/131101295.db2.gz VBKMCRZJPBJKAK-OLZOCXBDSA-N 0 0 301.350 0.866 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284704471 131105385 /nfs/dbraw/zinc/10/53/85/131105385.db2.gz ZGIBYQDHRJMILY-STQMWFEESA-N 0 0 320.393 0.151 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccccc2F)[C@@H]1C(N)=O ZINC000284744728 131108415 /nfs/dbraw/zinc/10/84/15/131108415.db2.gz NJJFZQVSYRZELM-KCJUWKMLSA-N 0 0 302.327 0.089 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H]1C(N)=O ZINC000284800345 131112258 /nfs/dbraw/zinc/11/22/58/131112258.db2.gz SERYHPDVAPOLOB-MUWHJKNJSA-N 0 0 324.811 0.665 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C[C@H]1C(N)=O ZINC000284873605 131117884 /nfs/dbraw/zinc/11/78/84/131117884.db2.gz QCUATDNHLAGLQR-GGZOMVNGSA-N 0 0 319.336 0.831 10 0 DCAERN Cc1ccc(-n2nnnc2N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000284980265 131128255 /nfs/dbraw/zinc/12/82/55/131128255.db2.gz KYEGHIKZZKDXKC-CABCVRRESA-N 0 0 314.393 0.880 10 0 DCAERN Cc1ccnc(N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 ZINC000285122516 131140690 /nfs/dbraw/zinc/14/06/90/131140690.db2.gz ROGPTLOWJPRFDW-CYBMUJFWSA-N 0 0 322.409 0.874 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000285211371 131148338 /nfs/dbraw/zinc/14/83/38/131148338.db2.gz WCSRDDMSXNHDPL-QWRGUYRKSA-N 0 0 316.354 0.397 10 0 DCAERN COC[C@H]1CN(c2cc(N3CCOCC3)ncn2)CC(C)(C)O1 ZINC000285228745 131149641 /nfs/dbraw/zinc/14/96/41/131149641.db2.gz YBHUESHNJAJWMQ-CYBMUJFWSA-N 0 0 322.409 0.943 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000285355002 131160767 /nfs/dbraw/zinc/16/07/67/131160767.db2.gz AQINJOQQKKQOLG-CHWSQXEVSA-N 0 0 320.393 0.495 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3nc4ccccn4n3)C[C@H]21 ZINC000285431649 131167521 /nfs/dbraw/zinc/16/75/21/131167521.db2.gz JFDJMMZPSCMJKR-NEPJUHHUSA-N 0 0 316.365 0.666 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000285437622 131168702 /nfs/dbraw/zinc/16/87/02/131168702.db2.gz PBAOVKDBHHPWKS-KRWDZBQOSA-N 0 0 317.389 0.991 10 0 DCAERN COC[C@@H]1CN(C(=O)c2nccn3ccnc23)CC(C)(C)O1 ZINC000285598198 131185701 /nfs/dbraw/zinc/18/57/01/131185701.db2.gz UKVGTXHYVWZDTH-NSHDSACASA-N 0 0 304.350 0.995 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000291397458 131566706 /nfs/dbraw/zinc/56/67/06/131566706.db2.gz ZSAMWWZZPDVBRO-NSHDSACASA-N 0 0 317.336 0.892 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@](C)(O)CC2)c(C2CC2)n1 ZINC000291900418 131607985 /nfs/dbraw/zinc/60/79/85/131607985.db2.gz XCDKWSHFTDMTFK-MRXNPFEDSA-N 0 0 320.393 1.000 10 0 DCAERN C[C@H]1CN(C(=O)Cc2cnccc2Cl)CCS1(=O)=O ZINC000293598297 131749324 /nfs/dbraw/zinc/74/93/24/131749324.db2.gz CEVGVSZGHHWFHO-VIFPVBQESA-N 0 0 302.783 0.923 10 0 DCAERN C[C@H](C(=O)N(C)[C@H]1CCOC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000119943714 132138209 /nfs/dbraw/zinc/13/82/09/132138209.db2.gz KQNFUFKAYXXUPY-XQHKEYJVSA-N 0 0 308.378 0.797 10 0 DCAERN Cn1nc(C(=O)N2CC[C@H](Oc3ccncc3)C2)ccc1=O ZINC000120781260 132151155 /nfs/dbraw/zinc/15/11/55/132151155.db2.gz OAMYEKUKAUPUCV-LBPRGKRZSA-N 0 0 300.318 0.469 10 0 DCAERN CCCN(CCO)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000164395395 132161535 /nfs/dbraw/zinc/16/15/35/132161535.db2.gz QJEPNBPYWZKWAS-UHFFFAOYSA-N 0 0 318.333 0.906 10 0 DCAERN COc1ccccc1N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000062633545 134810683 /nfs/dbraw/zinc/81/06/83/134810683.db2.gz PPSPEEPAQHLDHZ-LLVKDONJSA-N 0 0 305.334 0.452 10 0 DCAERN COC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)OC)[C@H](C)C1 ZINC000174993370 292045242 /nfs/dbraw/zinc/04/52/42/292045242.db2.gz KOUUUGSYUWNMCL-LLVKDONJSA-N 0 0 300.399 0.896 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000120022001 285634640 /nfs/dbraw/zinc/63/46/40/285634640.db2.gz ZEYCPMCEQNDSHJ-OLZOCXBDSA-N 0 0 312.410 0.755 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)c1ccco1 ZINC000025923418 395693802 /nfs/dbraw/zinc/69/38/02/395693802.db2.gz UXZYNJYSNWLGQC-SNVBAGLBSA-N 0 0 319.317 0.537 10 0 DCAERN CNS(=O)(=O)Cc1ccc(CNC(=O)CSC)cc1 ZINC000021039724 395691525 /nfs/dbraw/zinc/69/15/25/395691525.db2.gz DILWYUMSQXUCOO-UHFFFAOYSA-N 0 0 302.421 0.715 10 0 DCAERN O=C(CCn1cncn1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000031025499 395705162 /nfs/dbraw/zinc/70/51/62/395705162.db2.gz LVWPQLQVPDEZSV-UHFFFAOYSA-N 0 0 317.349 0.682 10 0 DCAERN CC(C)(C(=O)N1Cc2ccccc2NC(=O)C1)S(C)(=O)=O ZINC000087887667 395706897 /nfs/dbraw/zinc/70/68/97/395706897.db2.gz CCLIRMXQXPVLFH-UHFFFAOYSA-N 0 0 310.375 0.791 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1COc2ccccc21 ZINC000088772910 395707832 /nfs/dbraw/zinc/70/78/32/395707832.db2.gz FMPVCSCHGNWWHN-LLVKDONJSA-N 0 0 314.363 0.449 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(-c2ccccc2)n1 ZINC000089333058 395710063 /nfs/dbraw/zinc/71/00/63/395710063.db2.gz XCGMRQISNJOGHB-GFCCVEGCSA-N 0 0 312.329 0.622 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000089412865 395711217 /nfs/dbraw/zinc/71/12/17/395711217.db2.gz ZEWWRJXZJVHHNO-YGRLFVJLSA-N 0 0 317.393 0.903 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1O ZINC000089412511 395711235 /nfs/dbraw/zinc/71/12/35/395711235.db2.gz ZULHDDHHLNVKRB-TVQRCGJNSA-N 0 0 302.330 0.755 10 0 DCAERN CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cn(C)c(C)n1 ZINC000089783366 395715252 /nfs/dbraw/zinc/71/52/52/395715252.db2.gz UONFOTWXTBVBES-VIFPVBQESA-N 0 0 303.384 0.739 10 0 DCAERN Cn1c2nc(C=O)n(CC(=O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000036075850 395721653 /nfs/dbraw/zinc/72/16/53/395721653.db2.gz MXXVFSTUPZDWRN-UHFFFAOYSA-N 0 0 312.285 0.119 10 0 DCAERN COCCCOCCN(C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000091102277 395721854 /nfs/dbraw/zinc/72/18/54/395721854.db2.gz TYLOXTQDQZPHIC-CQSZACIVSA-N 0 0 324.425 0.819 10 0 DCAERN C[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000093333102 395737695 /nfs/dbraw/zinc/73/76/95/395737695.db2.gz JEKUTTZLVSMUMJ-RDBSUJKOSA-N 0 0 311.426 0.206 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)NCC(=O)NCc1ccco1 ZINC000042658954 395747327 /nfs/dbraw/zinc/74/73/27/395747327.db2.gz SAUGXSAQGXNXHT-UHFFFAOYSA-N 0 0 309.366 0.564 10 0 DCAERN Cn1nccc1CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042495150 395745849 /nfs/dbraw/zinc/74/58/49/395745849.db2.gz GAQXNURLCCINNE-CYBMUJFWSA-N 0 0 319.409 0.964 10 0 DCAERN O=C(NCCNC(=O)c1ccccc1)NCCn1ccnc1 ZINC000043310580 395752664 /nfs/dbraw/zinc/75/26/64/395752664.db2.gz LBYBDWNTTKSJMT-UHFFFAOYSA-N 0 0 301.350 0.612 10 0 DCAERN COC[C@@H](C)N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000193892557 395781152 /nfs/dbraw/zinc/78/11/52/395781152.db2.gz LSQSJSRCEXQIAG-SECBINFHSA-N 0 0 314.363 0.787 10 0 DCAERN C=Cn1cc(CN2CCN(c3ccc4nncn4n3)CC2)cn1 ZINC000193895891 395781165 /nfs/dbraw/zinc/78/11/65/395781165.db2.gz HCBASJNNGXJUPQ-UHFFFAOYSA-N 0 0 310.365 0.744 10 0 DCAERN CCO[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000193904611 395781725 /nfs/dbraw/zinc/78/17/25/395781725.db2.gz XGQPWNBNOLMUDV-JKSUJKDBSA-N 0 0 322.405 0.574 10 0 DCAERN COC(=O)[C@H]1O[C@@H](Sc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106384158 395783168 /nfs/dbraw/zinc/78/31/68/395783168.db2.gz KIEJIDLAINZJJS-FGPLHTHASA-N 0 0 314.359 0.068 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000193945643 395784024 /nfs/dbraw/zinc/78/40/24/395784024.db2.gz PUKXRCMXTFCRLL-ICCXJUOJSA-N 0 0 312.391 0.041 10 0 DCAERN CCN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1C ZINC000046992527 395785257 /nfs/dbraw/zinc/78/52/57/395785257.db2.gz IHDCCNHUXLUUKE-LBPRGKRZSA-N 0 0 318.377 0.536 10 0 DCAERN CCCCn1c(=O)[nH]nc1SCC(=O)Nc1nc(C)no1 ZINC000108228061 395787022 /nfs/dbraw/zinc/78/70/22/395787022.db2.gz BAKCWMKGKCKQKE-UHFFFAOYSA-N 0 0 312.355 0.794 10 0 DCAERN C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047101442 395787341 /nfs/dbraw/zinc/78/73/41/395787341.db2.gz YATWLARBUOEBMM-CHWSQXEVSA-N 0 0 305.382 0.876 10 0 DCAERN Cn1nccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000045959134 395769252 /nfs/dbraw/zinc/76/92/52/395769252.db2.gz MSNMHVXJEFHCLP-UHFFFAOYSA-N 0 0 312.329 0.723 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CSc2nccn3ccnc23)C1 ZINC000193572003 395772000 /nfs/dbraw/zinc/77/20/00/395772000.db2.gz NDXXUJBDFSIWAL-JTQLQIEISA-N 0 0 319.390 0.545 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)Cc1ccccc1)N1CCOCC1 ZINC000103853784 395775425 /nfs/dbraw/zinc/77/54/25/395775425.db2.gz QUKBHRDNSFDYTA-HOCLYGCPSA-N 0 0 321.421 0.610 10 0 DCAERN CCOC(=O)CN(CC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000193688298 395776803 /nfs/dbraw/zinc/77/68/03/395776803.db2.gz XAELOLCOCQAWCZ-UHFFFAOYSA-N 0 0 305.334 0.741 10 0 DCAERN CN1CCO[C@H](CNC(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000194618659 395802952 /nfs/dbraw/zinc/80/29/52/395802952.db2.gz NVHNNDFSQYJIQU-MRXNPFEDSA-N 0 0 314.389 0.862 10 0 DCAERN O=C(CN1CSCC1=O)NCc1ccnc(-n2ccnc2)c1 ZINC000194660546 395803399 /nfs/dbraw/zinc/80/33/99/395803399.db2.gz ZQPKMBUIQYANDK-UHFFFAOYSA-N 0 0 317.374 0.416 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000224866687 395858326 /nfs/dbraw/zinc/85/83/26/395858326.db2.gz NQPZTBPOPFOGMA-UBHAPETDSA-N 0 0 310.375 0.410 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)N(C)C)CCO2)n1 ZINC000111345172 395807618 /nfs/dbraw/zinc/80/76/18/395807618.db2.gz PJLISIQSHYOXAB-GFCCVEGCSA-N 0 0 302.400 0.007 10 0 DCAERN COCCS(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111344802 395807757 /nfs/dbraw/zinc/80/77/57/395807757.db2.gz GRJPKDQZMFIFBS-JTQLQIEISA-N 0 0 318.399 0.033 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](CN(CCO)CC(F)F)C1 ZINC000194855574 395810195 /nfs/dbraw/zinc/81/01/95/395810195.db2.gz UHDRUWOUSXPBMY-SNVBAGLBSA-N 0 0 300.371 0.217 10 0 DCAERN CCOC(=O)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000194882538 395811037 /nfs/dbraw/zinc/81/10/37/395811037.db2.gz JPOMXWHMKMFNIY-KBPBESRZSA-N 0 0 318.373 0.661 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)NCCN3CCOCC3)C2)c1 ZINC000111787978 395813558 /nfs/dbraw/zinc/81/35/58/395813558.db2.gz MSJWVXBARMQPJN-HNNXBMFYSA-N 0 0 321.425 0.870 10 0 DCAERN CCn1c(C)nnc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000195049606 395814355 /nfs/dbraw/zinc/81/43/55/395814355.db2.gz WXRWQXKHLBTELE-CQSZACIVSA-N 0 0 321.425 0.677 10 0 DCAERN O=C(CCC(=O)N[C@H]1CCCC[C@@H]1O)N[C@@H]1CCCC[C@@H]1O ZINC000048524084 395816504 /nfs/dbraw/zinc/81/65/04/395816504.db2.gz CHSVACQCGHTHRB-CRWXNKLISA-N 0 0 312.410 0.606 10 0 DCAERN CC1(CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)COC1 ZINC000112620480 395820162 /nfs/dbraw/zinc/82/01/62/395820162.db2.gz PMPGDNKGBDVGQI-UHFFFAOYSA-N 0 0 317.345 0.233 10 0 DCAERN C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)C(=O)NCc1ccco1 ZINC000195228676 395821507 /nfs/dbraw/zinc/82/15/07/395821507.db2.gz OJEQYFTUPOQFMT-SNVBAGLBSA-N 0 0 318.333 0.805 10 0 DCAERN CC(C)NC(=O)CC[S@@](=O)Cc1nnnn1-c1ccccc1 ZINC000112730854 395823379 /nfs/dbraw/zinc/82/33/79/395823379.db2.gz MLBBXOOIKMZLLL-QFIPXVFZSA-N 0 0 321.406 0.826 10 0 DCAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000112724009 395823382 /nfs/dbraw/zinc/82/33/82/395823382.db2.gz DSXPJKUOEGIUCC-GFCCVEGCSA-N 0 0 324.425 0.017 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)N[C@@H]1CCc2ncnn2C1 ZINC000112741322 395823402 /nfs/dbraw/zinc/82/34/02/395823402.db2.gz QEJAOBHDXCFQQU-CHWSQXEVSA-N 0 0 323.397 0.478 10 0 DCAERN O=C(NCCCNc1ccccn1)N[C@@H]1CCc2ncnn2C1 ZINC000112743870 395824152 /nfs/dbraw/zinc/82/41/52/395824152.db2.gz UEZFZNTYDLZEEI-GFCCVEGCSA-N 0 0 315.381 0.789 10 0 DCAERN Cc1ccc(CCNC(=O)N[C@@H]2CCc3ncnn3C2)cn1 ZINC000112750490 395824158 /nfs/dbraw/zinc/82/41/58/395824158.db2.gz GRJDDMOFOZSPET-CYBMUJFWSA-N 0 0 300.366 0.838 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000195461588 395827386 /nfs/dbraw/zinc/82/73/86/395827386.db2.gz LJOJNILVMZBYGZ-UHFFFAOYSA-N 0 0 324.402 0.903 10 0 DCAERN CO[C@H](C)CS(=O)(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000195464820 395827943 /nfs/dbraw/zinc/82/79/43/395827943.db2.gz MYMNRQFDDRBRLJ-LLVKDONJSA-N 0 0 324.406 0.969 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000113193269 395828651 /nfs/dbraw/zinc/82/86/51/395828651.db2.gz FQEGSZUOQOPYOB-NXEZZACHSA-N 0 0 323.299 0.736 10 0 DCAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1F ZINC000113298367 395829209 /nfs/dbraw/zinc/82/92/09/395829209.db2.gz JLIZGXJFQSWXJB-MRVPVSSYSA-N 0 0 314.317 0.850 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195517646 395830593 /nfs/dbraw/zinc/83/05/93/395830593.db2.gz LBTOMAATUNRQIA-LLVKDONJSA-N 0 0 309.370 0.478 10 0 DCAERN NC(=O)NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510949 395830759 /nfs/dbraw/zinc/83/07/59/395830759.db2.gz IFUHTBIJUHJMQD-SNVBAGLBSA-N 0 0 306.370 0.336 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517625 395831014 /nfs/dbraw/zinc/83/10/14/395831014.db2.gz SQQYZVCFDGFMEY-LBPRGKRZSA-N 0 0 323.397 0.868 10 0 DCAERN O=C(CCNC(=O)N1CCNC(=O)CC1)Nc1ccccc1 ZINC000113628262 395831488 /nfs/dbraw/zinc/83/14/88/395831488.db2.gz VLIPQQSKOZHFOE-UHFFFAOYSA-N 0 0 304.350 0.547 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCNC(=O)C1CC1 ZINC000049443321 395831835 /nfs/dbraw/zinc/83/18/35/395831835.db2.gz ZBHMSPBVWGZFMQ-UHFFFAOYSA-N 0 0 320.802 0.186 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)CNC(N)=O)CC1 ZINC000049992917 395835223 /nfs/dbraw/zinc/83/52/23/395835223.db2.gz LQWXAUCMKJUVQE-UHFFFAOYSA-N 0 0 306.366 0.449 10 0 DCAERN CCc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115910 395860015 /nfs/dbraw/zinc/86/00/15/395860015.db2.gz SGQPQLJKTADBJA-AWEZNQCLSA-N 0 0 319.405 0.943 10 0 DCAERN CC(C)c1nc(Sc2nnc(CO)n2C)nc(N(C)C)n1 ZINC000271089871 395837735 /nfs/dbraw/zinc/83/77/35/395837735.db2.gz JWJGRXHQNVHJNG-UHFFFAOYSA-N 0 0 309.399 0.833 10 0 DCAERN CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C(C1CC1)C1CC1 ZINC000050400855 395838821 /nfs/dbraw/zinc/83/88/21/395838821.db2.gz ADABDZOOWYUDHR-UHFFFAOYSA-N 0 0 315.377 0.777 10 0 DCAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)o1 ZINC000116944140 395849438 /nfs/dbraw/zinc/84/94/38/395849438.db2.gz WDKGZYPMNGSVKE-QWRGUYRKSA-N 0 0 315.395 0.982 10 0 DCAERN Cc1csc(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000116936338 395849520 /nfs/dbraw/zinc/84/95/20/395849520.db2.gz HXMZDTLLRHVQHP-SECBINFHSA-N 0 0 318.424 0.285 10 0 DCAERN CC(C)Oc1cccc([C@@H](O)CNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000116986599 395850779 /nfs/dbraw/zinc/85/07/79/395850779.db2.gz WJNPJVWFVFNADE-JSGCOSHPSA-N 0 0 306.362 0.760 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC000117180382 395851301 /nfs/dbraw/zinc/85/13/01/395851301.db2.gz AUVUUUDWSAJUFL-GFCCVEGCSA-N 0 0 316.365 0.467 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)CCN1CCOC ZINC000117302177 395851831 /nfs/dbraw/zinc/85/18/31/395851831.db2.gz OQCUDTSMFPEXRE-OAHLLOKOSA-N 0 0 319.405 0.968 10 0 DCAERN CCNC(=O)NC1(C(=O)NCCn2cc(C)cn2)CCCC1 ZINC000117811502 395855153 /nfs/dbraw/zinc/85/51/53/395855153.db2.gz LWEFSBUIPLYRBA-UHFFFAOYSA-N 0 0 307.398 0.940 10 0 DCAERN Cc1ccn(CC(=O)N2CCC[C@@H](n3cncn3)C2)c(=O)c1 ZINC000194600072 395800623 /nfs/dbraw/zinc/80/06/23/395800623.db2.gz DJBWUHZNROMCSB-CYBMUJFWSA-N 0 0 301.350 0.612 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1cscn1 ZINC000234582210 395889279 /nfs/dbraw/zinc/88/92/79/395889279.db2.gz YHGLFXZCWYRLNE-ZJUUUORDSA-N 0 0 304.393 0.904 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCc1cscn1 ZINC000234616315 395890310 /nfs/dbraw/zinc/89/03/10/395890310.db2.gz LMXANQWUZJQMDO-GHMZBOCLSA-N 0 0 318.420 0.947 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1C ZINC000125435232 395903043 /nfs/dbraw/zinc/90/30/43/395903043.db2.gz SMVKFBGVQGTOEX-NSHDSACASA-N 0 0 311.407 0.866 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000054703869 395904758 /nfs/dbraw/zinc/90/47/58/395904758.db2.gz QQAYFEBVRQTPIV-ZWNOBZJWSA-N 0 0 315.329 0.741 10 0 DCAERN C[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000054799334 395906156 /nfs/dbraw/zinc/90/61/56/395906156.db2.gz KPHWKYHYHTXFSQ-GHMZBOCLSA-N 0 0 304.412 0.294 10 0 DCAERN CCN1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126339628 395912512 /nfs/dbraw/zinc/91/25/12/395912512.db2.gz PFDNMRVUABQSFL-CHWSQXEVSA-N 0 0 317.455 0.689 10 0 DCAERN C[C@H](NC(=O)[C@@H]1COCCN1)c1noc(Cc2ccccc2)n1 ZINC000237463949 395913340 /nfs/dbraw/zinc/91/33/40/395913340.db2.gz WLBNVFCYWSROSB-AAEUAGOBSA-N 0 0 316.361 0.826 10 0 DCAERN CC(C)(C)c1cc(C(=O)NC[C@@H](O)CN2CCOCC2)[nH]n1 ZINC000126466444 395913874 /nfs/dbraw/zinc/91/38/74/395913874.db2.gz PUDYNDPROWOCDL-LLVKDONJSA-N 0 0 310.398 0.130 10 0 DCAERN CCCc1noc(CN2CCCN(CC(=O)N(C)C)CC2)n1 ZINC000126980708 395914154 /nfs/dbraw/zinc/91/41/54/395914154.db2.gz RQUXJIZMHVLTQF-UHFFFAOYSA-N 0 0 309.414 0.618 10 0 DCAERN COc1ccc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000055292285 395916311 /nfs/dbraw/zinc/91/63/11/395916311.db2.gz MYQLIBPIXVMZAR-QWRGUYRKSA-N 0 0 315.395 0.534 10 0 DCAERN COC(=O)c1ccccc1NC(=O)N1CCN(CCO)CC1 ZINC000244139726 395924322 /nfs/dbraw/zinc/92/43/22/395924322.db2.gz UOOJYZRJTDLQQY-UHFFFAOYSA-N 0 0 307.350 0.615 10 0 DCAERN Cn1cc(-n2ccc(=O)c(Cc3cccc(CC(N)=O)c3)n2)cn1 ZINC000118341728 395862043 /nfs/dbraw/zinc/86/20/43/395862043.db2.gz IZCRCYZCYLUMBC-UHFFFAOYSA-N 0 0 323.356 0.585 10 0 DCAERN O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118669297 395862968 /nfs/dbraw/zinc/86/29/68/395862968.db2.gz BIIJOGCYPPBMBD-GFCCVEGCSA-N 0 0 303.366 0.184 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)NCC[C@@H](C)O)ccc2c1=O ZINC000118721082 395863883 /nfs/dbraw/zinc/86/38/83/395863883.db2.gz BGVDIWJHNIUVNN-SECBINFHSA-N 0 0 305.334 0.210 10 0 DCAERN COC(=O)CCCN(C)S(=O)(=O)c1c(Cl)cnn1C ZINC000228060031 395870671 /nfs/dbraw/zinc/87/06/71/395870671.db2.gz BPKQCIBNQBGFRO-UHFFFAOYSA-N 0 0 309.775 0.647 10 0 DCAERN CCS[C@H](C(=O)NC[C@@H](O)CN1CCOCC1)C(C)C ZINC000133076210 395928273 /nfs/dbraw/zinc/92/82/73/395928273.db2.gz WQDWYAQVZCKEBG-OLZOCXBDSA-N 0 0 304.456 0.573 10 0 DCAERN NS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2CCOC2)s1 ZINC000230168848 395878666 /nfs/dbraw/zinc/87/86/66/395878666.db2.gz MLMWURKWXLFQRY-SECBINFHSA-N 0 0 318.420 0.481 10 0 DCAERN CCC[C@H]1C[C@@H]1NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000120002083 395880084 /nfs/dbraw/zinc/88/00/84/395880084.db2.gz BRPMAYBFTNWIDJ-YUMQZZPRSA-N 0 0 302.356 0.924 10 0 DCAERN CCC[C@H]1C[C@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000121828914 395885377 /nfs/dbraw/zinc/88/53/77/395885377.db2.gz HELAITLWNMTYRV-QJPTWQEYSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245597905 395932470 /nfs/dbraw/zinc/93/24/70/395932470.db2.gz HYGJQDMLPUIJPZ-XJKCOSOUSA-N 0 0 320.389 0.360 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000056863666 395934233 /nfs/dbraw/zinc/93/42/33/395934233.db2.gz BTJZYNVAAXEKKZ-CHWSQXEVSA-N 0 0 314.430 0.311 10 0 DCAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccccc2F)C1 ZINC000134703133 395934262 /nfs/dbraw/zinc/93/42/62/395934262.db2.gz NIDSVRCORLPQLO-NSHDSACASA-N 0 0 302.371 0.825 10 0 DCAERN Cc1nc2c(s1)[C@H](N(C)C(=O)CN1CC(=O)NC1=O)CCC2 ZINC000134911416 395935637 /nfs/dbraw/zinc/93/56/37/395935637.db2.gz MOPBDHBQPTYHLK-SNVBAGLBSA-N 0 0 322.390 0.839 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245792226 395935982 /nfs/dbraw/zinc/93/59/82/395935982.db2.gz IWLITYYLQWLEFS-BPLDGKMQSA-N 0 0 315.373 0.885 10 0 DCAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nn[nH]n1 ZINC000135467189 395940596 /nfs/dbraw/zinc/94/05/96/395940596.db2.gz ZBTSOSWOIOTNJA-KOLCDFICSA-N 0 0 302.338 0.983 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCN1c2ccccc2CC1=O ZINC000135561329 395941191 /nfs/dbraw/zinc/94/11/91/395941191.db2.gz ZKMQJMNCJNEEKT-SMDDNHRTSA-N 0 0 324.402 0.673 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000135574683 395941355 /nfs/dbraw/zinc/94/13/55/395941355.db2.gz DACYHCNQMOFLGI-SMDDNHRTSA-N 0 0 324.425 0.329 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)C(C)C ZINC000246159073 395942485 /nfs/dbraw/zinc/94/24/85/395942485.db2.gz GAPASWBJGCNDDG-JHJVBQTASA-N 0 0 300.399 0.847 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000274362243 395942608 /nfs/dbraw/zinc/94/26/08/395942608.db2.gz DNTUDDVELXLRHZ-INIZCTEOSA-N 0 0 320.393 0.920 10 0 DCAERN CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136366033 395945963 /nfs/dbraw/zinc/94/59/63/395945963.db2.gz VAXHVSXKRIUCRF-NEPJUHHUSA-N 0 0 303.366 0.182 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C1=NN(C)C(=O)CC1 ZINC000152067119 395999644 /nfs/dbraw/zinc/99/96/44/395999644.db2.gz GPLAQCHKJLQQPD-SNVBAGLBSA-N 0 0 318.381 0.961 10 0 DCAERN COC(=O)[C@@]1(C)CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000246599729 395953550 /nfs/dbraw/zinc/95/35/50/395953550.db2.gz UHTLPDCNEGCBRB-AAEUAGOBSA-N 0 0 304.412 0.848 10 0 DCAERN CCOCCS(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246639854 395955440 /nfs/dbraw/zinc/95/54/40/395955440.db2.gz ZIQAUERWJBOZTB-STQMWFEESA-N 0 0 306.428 0.005 10 0 DCAERN C[C@H](NC(=O)COC[C@H]1CCOC1)C(=O)N1CCCC[C@H]1C ZINC000246680352 395955984 /nfs/dbraw/zinc/95/59/84/395955984.db2.gz JFMFJMOITHYPHJ-RDBSUJKOSA-N 0 0 312.410 0.945 10 0 DCAERN CN(Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCOC2)C1 ZINC000276469230 396000111 /nfs/dbraw/zinc/00/01/11/396000111.db2.gz NMLJFPQURKWTIG-ZIAGYGMSSA-N 0 0 319.409 0.871 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246801902 395957987 /nfs/dbraw/zinc/95/79/87/395957987.db2.gz RGNKXMPFLMVFLC-HZSPNIEDSA-N 0 0 302.415 0.342 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000248897812 396000124 /nfs/dbraw/zinc/00/01/24/396000124.db2.gz VQUJKFQANODUAH-JTQLQIEISA-N 0 0 304.372 0.338 10 0 DCAERN Cc1cn(-c2ccc3n(c2=O)CCN([C@H](C)[C@@H](C)O)C3=O)cn1 ZINC000144519818 395962980 /nfs/dbraw/zinc/96/29/80/395962980.db2.gz RWNCXMGICOIFAI-VXGBXAGGSA-N 0 0 316.361 0.568 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247010847 395963879 /nfs/dbraw/zinc/96/38/79/395963879.db2.gz CDWSTCSKXZCUAJ-ZIAGYGMSSA-N 0 0 310.398 0.125 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274670419 395966136 /nfs/dbraw/zinc/96/61/36/395966136.db2.gz JHJXLYLJAGAXPE-GFCCVEGCSA-N 0 0 317.393 0.457 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCN(CCOC)[C@@H](C)C1 ZINC000247136675 395967617 /nfs/dbraw/zinc/96/76/17/395967617.db2.gz KQHPDOPVQZWJHP-ZDUSSCGKSA-N 0 0 314.430 0.265 10 0 DCAERN O[C@@H](COc1ccccc1F)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247180053 395968750 /nfs/dbraw/zinc/96/87/50/395968750.db2.gz RVSLWFUXUCWMGL-HUUCEWRRSA-N 0 0 324.396 0.972 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cn1 ZINC000247195094 395968965 /nfs/dbraw/zinc/96/89/65/395968965.db2.gz ZRDDXBVVIAEWFC-CYZMBNFOSA-N 0 0 321.381 0.564 10 0 DCAERN O=C(CNC(=O)NCc1ccco1)N[C@H]1CCCC[C@@H]1CO ZINC000150988501 395977198 /nfs/dbraw/zinc/97/71/98/395977198.db2.gz RMVIVHAQASFPCG-YPMHNXCESA-N 0 0 309.366 0.746 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247974940 395981082 /nfs/dbraw/zinc/98/10/82/395981082.db2.gz KPRQVNGLUHTXDG-WWGRRREGSA-N 0 0 309.410 0.992 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000063853760 395983688 /nfs/dbraw/zinc/98/36/88/395983688.db2.gz YLFLXYXTAPHGDT-DTORHVGOSA-N 0 0 318.420 0.953 10 0 DCAERN O=C(COc1ccccc1O)N1CCN(c2cccnn2)CC1 ZINC000151441453 395986028 /nfs/dbraw/zinc/98/60/28/395986028.db2.gz ZOIZNPUHIWTVCT-UHFFFAOYSA-N 0 0 314.345 0.910 10 0 DCAERN O=C(CN1C[C@H](O)C[C@H]1CO)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248395800 395986150 /nfs/dbraw/zinc/98/61/50/395986150.db2.gz OYORXNFZTXQUDM-OUAUKWLOSA-N 0 0 310.316 0.215 10 0 DCAERN CNC(=O)[C@@H]1CN(C[C@@H](O)c2c(F)cccc2F)CCO1 ZINC000248420147 395987001 /nfs/dbraw/zinc/98/70/01/395987001.db2.gz LOQKZPVEWDCTKX-NEPJUHHUSA-N 0 0 300.305 0.445 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000248504481 395988824 /nfs/dbraw/zinc/98/88/24/395988824.db2.gz VPUKEPABRGNLIO-KKUMJFAQSA-N 0 0 323.437 0.328 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CCO1 ZINC000248462841 395989137 /nfs/dbraw/zinc/98/91/37/395989137.db2.gz YOXACAQVXCNVFK-CHWSQXEVSA-N 0 0 300.305 0.445 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)C1 ZINC000248549738 395989986 /nfs/dbraw/zinc/98/99/86/395989986.db2.gz KEEWIPXBKTWXGH-VXGBXAGGSA-N 0 0 320.397 0.056 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)N3CCC[C@H]3C)CCO2)[nH]1 ZINC000248668268 395993758 /nfs/dbraw/zinc/99/37/58/395993758.db2.gz ADKRUGMKMIJWAV-KOLCDFICSA-N 0 0 315.399 0.216 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2csc(Br)c2)C1 ZINC000276444580 395997756 /nfs/dbraw/zinc/99/77/56/395997756.db2.gz LXXPMGUKHAZFSE-JTQLQIEISA-N 0 0 305.197 0.933 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153987763 396028391 /nfs/dbraw/zinc/02/83/91/396028391.db2.gz DFYJINUSTNBWSZ-PRJMDXOYSA-N 0 0 307.272 0.822 10 0 DCAERN CN(C)c1cccc(C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000154113306 396031497 /nfs/dbraw/zinc/03/14/97/396031497.db2.gz RLQPRQXARNDJDA-HNNXBMFYSA-N 0 0 307.394 0.176 10 0 DCAERN C/C=C\C[S@@](=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000255145441 396032155 /nfs/dbraw/zinc/03/21/55/396032155.db2.gz NCQGFVUIBZEPAW-QATSOJGNSA-N 0 0 324.406 0.149 10 0 DCAERN Cn1cccc1CN1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000257183352 396034497 /nfs/dbraw/zinc/03/44/97/396034497.db2.gz HKMLTJLFBBFKHR-GOEBONIOSA-N 0 0 314.389 0.643 10 0 DCAERN O=C([C@H]1CSC(=O)N1)N1CCN(Cc2ccncc2)CC1 ZINC000154641876 396040030 /nfs/dbraw/zinc/04/00/30/396040030.db2.gz UWCSHCVZRPJFAX-GFCCVEGCSA-N 0 0 306.391 0.551 10 0 DCAERN CC(C)(NC(=O)[C@H]1CNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000154730800 396040948 /nfs/dbraw/zinc/04/09/48/396040948.db2.gz SSZQQGSYPDHHJV-LLVKDONJSA-N 0 0 313.361 0.755 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N(C)CC[C@@H](C)O)cc1 ZINC000154849421 396042755 /nfs/dbraw/zinc/04/27/55/396042755.db2.gz TWLLBUMPUWBYON-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCn2cnnc2[C@@H]1C ZINC000277003444 396043677 /nfs/dbraw/zinc/04/36/77/396043677.db2.gz XZPOCPNFZAJKQT-VHSXEESVSA-N 0 0 309.395 0.493 10 0 DCAERN COc1ccccc1N1CC[C@H](NS(=O)(=O)C2COC2)C1 ZINC000277043559 396045733 /nfs/dbraw/zinc/04/57/33/396045733.db2.gz KSCOSLSRMRFOSG-NSHDSACASA-N 0 0 312.391 0.592 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000068138101 396047575 /nfs/dbraw/zinc/04/75/75/396047575.db2.gz OQMKXEPOXWDCSV-RYUDHWBXSA-N 0 0 324.425 0.731 10 0 DCAERN NCc1nc(CN2CCN(CC(F)(F)C(F)F)CC2)no1 ZINC000261608230 396048686 /nfs/dbraw/zinc/04/86/86/396048686.db2.gz BOKGIXRYRLFQAY-UHFFFAOYSA-N 0 0 311.283 0.546 10 0 DCAERN CCC[C@@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)OC(C)(C)C ZINC000155403021 396051084 /nfs/dbraw/zinc/05/10/84/396051084.db2.gz IIQLUDXHRSKSGZ-VXGBXAGGSA-N 0 0 300.399 0.944 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2ncc(F)cc2F)C1 ZINC000277132929 396051671 /nfs/dbraw/zinc/05/16/71/396051671.db2.gz OWERNHDXZYYTLX-QMMMGPOBSA-N 0 0 305.306 0.124 10 0 DCAERN NC(=O)CN(CC(N)=O)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000068340238 396052886 /nfs/dbraw/zinc/05/28/86/396052886.db2.gz BYXYWVPNZIQXCI-UHFFFAOYSA-N 0 0 309.709 0.499 10 0 DCAERN COc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@H](C)C1 ZINC000155695259 396056442 /nfs/dbraw/zinc/05/64/42/396056442.db2.gz CEMAPDYTMVHSBP-LLVKDONJSA-N 0 0 312.391 0.753 10 0 DCAERN O=S(=O)(c1cccnc1)N1CCNC[C@H]1c1cccnc1 ZINC000261775606 396064920 /nfs/dbraw/zinc/06/49/20/396064920.db2.gz SSMODJZGTHRHQW-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN O=S1(=O)CC[C@H](c2nc(I)no2)C1 ZINC000158621527 396065017 /nfs/dbraw/zinc/06/50/17/396065017.db2.gz NAPMKUZKNWANCZ-BYPYZUCNSA-N 0 0 314.104 0.576 10 0 DCAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2COCCN2)CC1 ZINC000158385902 396065276 /nfs/dbraw/zinc/06/52/76/396065276.db2.gz GZQGBPKFNFSIQN-GFCCVEGCSA-N 0 0 323.418 0.411 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000152186506 396003139 /nfs/dbraw/zinc/00/31/39/396003139.db2.gz GZDFYZXUPYXOER-KGLIPLIRSA-N 0 0 315.373 0.572 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC2(C1)OCCO2 ZINC000152270330 396004459 /nfs/dbraw/zinc/00/44/59/396004459.db2.gz UYZUKEJVYYUDBT-LLVKDONJSA-N 0 0 308.334 0.763 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)sc1Cl ZINC000276514579 396005436 /nfs/dbraw/zinc/00/54/36/396005436.db2.gz FLYLUHVINOUEAO-JTQLQIEISA-N 0 0 324.811 0.321 10 0 DCAERN O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)NC1CC1 ZINC000249547797 396009081 /nfs/dbraw/zinc/00/90/81/396009081.db2.gz GUMOEXCDKXHQNB-AAEUAGOBSA-N 0 0 323.418 0.744 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1CCO ZINC000250110610 396013874 /nfs/dbraw/zinc/01/38/74/396013874.db2.gz SUCXXLISESWGTH-KGLIPLIRSA-N 0 0 323.437 0.303 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)C1 ZINC000250356270 396014632 /nfs/dbraw/zinc/01/46/32/396014632.db2.gz LLIUZLWVDRYIOR-GXTWGEPZSA-N 0 0 304.350 0.021 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)CCNC(=O)CC(C)C)n1 ZINC000152739631 396015174 /nfs/dbraw/zinc/01/51/74/396015174.db2.gz QBDOTURCDWHGQH-LBPRGKRZSA-N 0 0 324.381 0.830 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)n1 ZINC000251562434 396016867 /nfs/dbraw/zinc/01/68/67/396016867.db2.gz GRXAAHUVMXNEBA-RBSFLKMASA-N 0 0 308.426 0.974 10 0 DCAERN COC(=O)[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000251905935 396017907 /nfs/dbraw/zinc/01/79/07/396017907.db2.gz WUCSSWZUYATWIT-WISYIIOYSA-N 0 0 320.411 0.081 10 0 DCAERN CCN1CCN(c2nc3c(s2)CN(C(=O)NC)CC3)CC1 ZINC000169757018 396090674 /nfs/dbraw/zinc/09/06/74/396090674.db2.gz GBZATQAGAPITKN-UHFFFAOYSA-N 0 0 309.439 0.983 10 0 DCAERN CCn1ncc(N2CCC(NC(=O)[C@@H]3CCOC3)CC2)cc1=O ZINC000169762359 396091199 /nfs/dbraw/zinc/09/11/99/396091199.db2.gz YIACORMYXTUNPG-GFCCVEGCSA-N 0 0 320.393 0.385 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCO[C@H](C)C2)cc1 ZINC000070302951 396100358 /nfs/dbraw/zinc/10/03/58/396100358.db2.gz PEYCDOJWNJWDDO-LLVKDONJSA-N 0 0 313.375 0.812 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000070303046 396101121 /nfs/dbraw/zinc/10/11/21/396101121.db2.gz MUODSVWFBGLNFB-UHFFFAOYSA-N 0 0 313.375 0.859 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCOC2)c1 ZINC000170935941 396102571 /nfs/dbraw/zinc/10/25/71/396102571.db2.gz YRZJBAZTELVOLL-LLVKDONJSA-N 0 0 312.391 0.812 10 0 DCAERN CCc1noc2ncc(C(=O)NC[C@@H]3CN(C)CCO3)cc12 ZINC000171286255 396112646 /nfs/dbraw/zinc/11/26/46/396112646.db2.gz FNADDMYSQFMESR-LLVKDONJSA-N 0 0 304.350 0.846 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N[C@@H]1CCCOC1 ZINC000171624745 396120882 /nfs/dbraw/zinc/12/08/82/396120882.db2.gz LVODPACSBFXNST-CYBMUJFWSA-N 0 0 318.377 0.916 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCCS(C)(=O)=O ZINC000171768326 396124768 /nfs/dbraw/zinc/12/47/68/396124768.db2.gz XCSGWFKEFIAMRB-GFCCVEGCSA-N 0 0 318.439 0.671 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@](C)(O)C3)C2)n(C)n1 ZINC000278437543 396124916 /nfs/dbraw/zinc/12/49/16/396124916.db2.gz VDXIAOMSFPMHCZ-XJKSGUPXSA-N 0 0 321.425 0.864 10 0 DCAERN CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CCCOC1 ZINC000171868709 396126675 /nfs/dbraw/zinc/12/66/75/396126675.db2.gz WFNVUQJVKPPXGZ-VIFPVBQESA-N 0 0 318.420 0.907 10 0 DCAERN O=C(CN1CCO[C@H](Cn2cncn2)C1)Nc1cccnc1 ZINC000072253405 396128052 /nfs/dbraw/zinc/12/80/52/396128052.db2.gz XDMMUAUNKJNHNN-ZDUSSCGKSA-N 0 0 302.338 0.013 10 0 DCAERN O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCCCNC1=O ZINC000072559957 396132771 /nfs/dbraw/zinc/13/27/71/396132771.db2.gz WVPJWBYUFVIIFW-NSHDSACASA-N 0 0 315.337 0.453 10 0 DCAERN C[S@@](=O)c1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172766560 396133084 /nfs/dbraw/zinc/13/30/84/396133084.db2.gz ARIYUMQUEOEFTG-RCDICMHDSA-N 0 0 322.430 0.971 10 0 DCAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)N1CCc2ccccc21 ZINC000173929849 396136025 /nfs/dbraw/zinc/13/60/25/396136025.db2.gz KEBSOQVILHCAOA-MRXNPFEDSA-N 0 0 315.417 0.982 10 0 DCAERN CC(C)OCCS(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000162171884 396079303 /nfs/dbraw/zinc/07/93/03/396079303.db2.gz CVIUBLIQCMUDJT-UHFFFAOYSA-N 0 0 316.427 0.927 10 0 DCAERN CCNC(=O)N1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC000073019844 396140670 /nfs/dbraw/zinc/14/06/70/396140670.db2.gz RKOIKLUVMQJHHM-UHFFFAOYSA-N 0 0 318.421 0.992 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3cnn(C)c3)CCO2)o1 ZINC000162809732 396084027 /nfs/dbraw/zinc/08/40/27/396084027.db2.gz SUXFJSJQWUQTRZ-ZDUSSCGKSA-N 0 0 318.333 0.860 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263222552 396206785 /nfs/dbraw/zinc/20/67/85/396206785.db2.gz MDQBUKHWRGESMY-WDEREUQCSA-N 0 0 303.353 0.891 10 0 DCAERN CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178750211 396206993 /nfs/dbraw/zinc/20/69/93/396206993.db2.gz WRKNVSVRFIDRLG-BXKDBHETSA-N 0 0 300.380 0.471 10 0 DCAERN O=C(CN1Cc2ccccc2C1=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278983654 396145033 /nfs/dbraw/zinc/14/50/33/396145033.db2.gz QBCMHJHCYOQQKZ-QGZVFWFLSA-N 0 0 313.357 0.381 10 0 DCAERN CCCCCS(=O)(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262501252 396147782 /nfs/dbraw/zinc/14/77/82/396147782.db2.gz ZDUYWIRLWLCAJS-UHFFFAOYSA-N 0 0 306.428 0.987 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000279056053 396150488 /nfs/dbraw/zinc/15/04/88/396150488.db2.gz YLZPENRGKKVSRM-KYNDHQSQSA-N 0 0 324.450 0.996 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCc1nccn1C(F)F ZINC000176237069 396152261 /nfs/dbraw/zinc/15/22/61/396152261.db2.gz DNSOQARYFOAXKN-UHFFFAOYSA-N 0 0 310.326 0.176 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000176285974 396153882 /nfs/dbraw/zinc/15/38/82/396153882.db2.gz LAVBRXUZYHBSTH-JOYOIKCWSA-N 0 0 317.349 0.949 10 0 DCAERN COC(=O)C[C@H]1CCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000178805983 396210136 /nfs/dbraw/zinc/21/01/36/396210136.db2.gz LFRMQEVCJKRAJI-LLVKDONJSA-N 0 0 317.345 0.884 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000176658457 396159324 /nfs/dbraw/zinc/15/93/24/396159324.db2.gz PTCFTPCDXQEETL-CQSZACIVSA-N 0 0 305.378 0.452 10 0 DCAERN CCOCCN1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1CC ZINC000176738279 396159672 /nfs/dbraw/zinc/15/96/72/396159672.db2.gz WERUXJDOBOLVFT-CYBMUJFWSA-N 0 0 322.409 0.687 10 0 DCAERN CN1CCO[C@@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000279264036 396161994 /nfs/dbraw/zinc/16/19/94/396161994.db2.gz MQSJORAYICPDPI-QMMMGPOBSA-N 0 0 323.777 0.483 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccccn2)C[C@@H]1N1CCOCC1 ZINC000177297637 396171104 /nfs/dbraw/zinc/17/11/04/396171104.db2.gz XUNQQXKVCVNJTH-HIFRSBDPSA-N 0 0 304.394 0.944 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000177523837 396178037 /nfs/dbraw/zinc/17/80/37/396178037.db2.gz XJGWLFQODOTJEC-QMTHXVAHSA-N 0 0 307.354 0.188 10 0 DCAERN C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)C(N)=O ZINC000177967878 396186823 /nfs/dbraw/zinc/18/68/23/396186823.db2.gz AHSQXHQELODPIM-RXMQYKEDSA-N 0 0 317.143 0.143 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000075940814 396190187 /nfs/dbraw/zinc/19/01/87/396190187.db2.gz ZACOCIZFGIWEDQ-CYBMUJFWSA-N 0 0 310.375 0.616 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262894963 396190952 /nfs/dbraw/zinc/19/09/52/396190952.db2.gz CYNUEZUJFZOAED-NSHDSACASA-N 0 0 319.352 0.127 10 0 DCAERN Cc1cc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)nc(C)n1 ZINC000178186305 396191260 /nfs/dbraw/zinc/19/12/60/396191260.db2.gz QBEBTEHWKCLFFD-LBPRGKRZSA-N 0 0 317.393 0.315 10 0 DCAERN NC(=O)[C@H]1CC[C@H](CNC(=O)NCCCc2ccccn2)O1 ZINC000178404528 396195814 /nfs/dbraw/zinc/19/58/14/396195814.db2.gz ARCNFSCPNWIXFE-CHWSQXEVSA-N 0 0 306.366 0.346 10 0 DCAERN Cc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(F)(F)CN2)c1 ZINC000263000873 396196812 /nfs/dbraw/zinc/19/68/12/396196812.db2.gz OTNXOASRUZAQLD-LBPRGKRZSA-N 0 0 311.332 0.838 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)N2CCS[C@@H](C)C2)c(=O)c1 ZINC000280413718 396199582 /nfs/dbraw/zinc/19/95/82/396199582.db2.gz HLLKMWRRILPGGG-SWLSCSKDSA-N 0 0 310.419 0.872 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CC(F)(F)CN1 ZINC000263053787 396199735 /nfs/dbraw/zinc/19/97/35/396199735.db2.gz UTEFCXIWXDURKW-SNVBAGLBSA-N 0 0 310.304 0.443 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)NCCCc2ccccn2)nn1 ZINC000178624978 396202081 /nfs/dbraw/zinc/20/20/81/396202081.db2.gz COFVBQVZKMHNMM-UHFFFAOYSA-N 0 0 316.365 0.124 10 0 DCAERN CC[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000076420201 396203922 /nfs/dbraw/zinc/20/39/22/396203922.db2.gz DZKQDHPEFDBKCP-CQSZACIVSA-N 0 0 305.378 0.522 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(C2CC2)CC1 ZINC000184001958 396281266 /nfs/dbraw/zinc/28/12/66/396281266.db2.gz SSOQCRRQRKUJRP-UHFFFAOYSA-N 0 0 321.381 0.909 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000181740867 396241367 /nfs/dbraw/zinc/24/13/67/396241367.db2.gz NBYXFFOJEJSDOK-RYUDHWBXSA-N 0 0 323.359 0.538 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1ccc(F)c(F)c1 ZINC000181786641 396242133 /nfs/dbraw/zinc/24/21/33/396242133.db2.gz AUBSNGJRRYDFRX-UHFFFAOYSA-N 0 0 309.276 0.701 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 ZINC000181779956 396242351 /nfs/dbraw/zinc/24/23/51/396242351.db2.gz AYZZCLFBGWWWLH-UHFFFAOYSA-N 0 0 301.350 0.986 10 0 DCAERN CCn1c2ccc(C(=O)N3CCOC[C@@H]3C)cc2[nH]c(=O)c1=O ZINC000078600136 396248390 /nfs/dbraw/zinc/24/83/90/396248390.db2.gz CDGAXTGKVCTZGR-JTQLQIEISA-N 0 0 317.345 0.571 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCC(C)(C)C(N)=O ZINC000182253780 396249024 /nfs/dbraw/zinc/24/90/24/396249024.db2.gz UDBGSWKDYIRNBM-UHFFFAOYSA-N 0 0 305.338 0.218 10 0 DCAERN C[C@H]([C@H](C)NC(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000182726951 396253342 /nfs/dbraw/zinc/25/33/42/396253342.db2.gz RJWULWUDCDBDNG-QWHCGFSZSA-N 0 0 310.402 0.077 10 0 DCAERN Cc1ccc2ncc(C(=O)NCCCn3ccnn3)c(=O)n2c1 ZINC000182997762 396258181 /nfs/dbraw/zinc/25/81/81/396258181.db2.gz FATDFJRCPDMSSH-UHFFFAOYSA-N 0 0 312.333 0.415 10 0 DCAERN CNC(=O)c1ccc(NCC(=O)NCCc2ccccc2)nn1 ZINC000080599990 396282326 /nfs/dbraw/zinc/28/23/26/396282326.db2.gz JOMFVVPSEDZSKB-UHFFFAOYSA-N 0 0 313.361 0.607 10 0 DCAERN COc1ccc(S(=O)(=O)NCCCn2ccnn2)cc1C ZINC000183163114 396264037 /nfs/dbraw/zinc/26/40/37/396264037.db2.gz LTQYWDRODQSELD-UHFFFAOYSA-N 0 0 310.379 0.964 10 0 DCAERN C[C@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC(=O)N1C ZINC000282139742 396266675 /nfs/dbraw/zinc/26/66/75/396266675.db2.gz IAKXXVSSOJYATM-WDEREUQCSA-N 0 0 306.366 0.227 10 0 DCAERN Cn1ncc2c1CCC[C@H]2NC(=O)NC[C@H]1CN(C)CCO1 ZINC000264299965 396268582 /nfs/dbraw/zinc/26/85/82/396268582.db2.gz IYXHJSMIGYUMOO-WCQYABFASA-N 0 0 307.398 0.427 10 0 DCAERN COC(=O)c1cccc(CNC(=O)NCCCn2ccnn2)c1 ZINC000183572171 396270920 /nfs/dbraw/zinc/27/09/20/396270920.db2.gz XCDIPYYBRDBYCQ-UHFFFAOYSA-N 0 0 317.349 0.954 10 0 DCAERN O=S(=O)(CC[NH2+][C@@H]1CCCSC1)NC[C@H]1CCCCO1 ZINC000183601086 396271470 /nfs/dbraw/zinc/27/14/70/396271470.db2.gz VJQQONNFWCGABV-CHWSQXEVSA-N 0 0 322.496 0.960 10 0 DCAERN COC(=O)c1coc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c1 ZINC000183659265 396272805 /nfs/dbraw/zinc/27/28/05/396272805.db2.gz LLQFOQVXQNNIRS-LBPRGKRZSA-N 0 0 308.334 0.659 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cc(C(=O)OC)co2)CCN1C[C@@H](C)O ZINC000183803913 396275434 /nfs/dbraw/zinc/27/54/34/396275434.db2.gz BGXHELQIOACNGZ-DGCLKSJQSA-N 0 0 324.377 0.983 10 0 DCAERN CCO[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC000183841973 396276090 /nfs/dbraw/zinc/27/60/90/396276090.db2.gz PRVCSBCCNSESOQ-RYUDHWBXSA-N 0 0 306.366 0.559 10 0 DCAERN CC(C)CC[C@](C)(O)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C ZINC000077235156 396215328 /nfs/dbraw/zinc/21/53/28/396215328.db2.gz BIZYWSNANBUKRH-HNNXBMFYSA-N 0 0 323.397 0.559 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000179128186 396222119 /nfs/dbraw/zinc/22/21/19/396222119.db2.gz JEKOHKQXOLOGGQ-ZDUSSCGKSA-N 0 0 316.365 0.764 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNc2ccnc(N(C)C)n2)CC1 ZINC000077490119 396224370 /nfs/dbraw/zinc/22/43/70/396224370.db2.gz HIDVMEUVEZUYLJ-UHFFFAOYSA-N 0 0 320.397 0.035 10 0 DCAERN C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000179309019 396226055 /nfs/dbraw/zinc/22/60/55/396226055.db2.gz UUDDWXZUUDLWCD-CMPLNLGQSA-N 0 0 312.391 0.607 10 0 DCAERN CC(C)NS(=O)(=O)CCNC(=O)[C@@H](C)C1CCOCC1 ZINC000179385408 396226552 /nfs/dbraw/zinc/22/65/52/396226552.db2.gz ZFBSYBCQOHLLMT-NSHDSACASA-N 0 0 306.428 0.493 10 0 DCAERN C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H](C)CO ZINC000077776164 396232873 /nfs/dbraw/zinc/23/28/73/396232873.db2.gz ZXXZPHVXHUYYCR-GHMZBOCLSA-N 0 0 314.407 0.906 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3ncnn3C2)c1F ZINC000180682106 396233743 /nfs/dbraw/zinc/23/37/43/396233743.db2.gz SSGPCXFACUQYAA-SNVBAGLBSA-N 0 0 317.324 0.795 10 0 DCAERN CC(C)[C@@H](NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C(N)=O ZINC000184991106 396313505 /nfs/dbraw/zinc/31/35/05/396313505.db2.gz CYJWILRGIQYYBG-DGCLKSJQSA-N 0 0 322.413 0.198 10 0 DCAERN CC(C)[C@@H](C(=O)NCCCn1ccnn1)N1C[C@@H](C)O[C@H](C)C1 ZINC000184992136 396313598 /nfs/dbraw/zinc/31/35/98/396313598.db2.gz JDECUTOQVUNJFJ-KFWWJZLASA-N 0 0 323.441 0.918 10 0 DCAERN O=C(NCCCn1ccnn1)NCc1ccc(CO)c(F)c1 ZINC000185005776 396313796 /nfs/dbraw/zinc/31/37/96/396313796.db2.gz GGVZINSOCLRARK-UHFFFAOYSA-N 0 0 307.329 0.799 10 0 DCAERN O=C(CNC(=O)CC1CCCCC1)NCCCn1ccnn1 ZINC000185062577 396315946 /nfs/dbraw/zinc/31/59/46/396315946.db2.gz CWFFIYPSJQLCBN-UHFFFAOYSA-N 0 0 307.398 0.871 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCCn2ccnn2)c1 ZINC000185072088 396315982 /nfs/dbraw/zinc/31/59/82/396315982.db2.gz WLTSEMIYPGNAFB-UHFFFAOYSA-N 0 0 323.378 0.006 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC(F)(F)CO ZINC000185061929 396315993 /nfs/dbraw/zinc/31/59/93/396315993.db2.gz BZKRRDCRJPXSSC-MRVPVSSYSA-N 0 0 303.313 0.602 10 0 DCAERN NC(=O)c1cncc(N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000080764019 396285915 /nfs/dbraw/zinc/28/59/15/396285915.db2.gz KDYXIZXLQBFPCK-UHFFFAOYSA-N 0 0 317.393 0.804 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(-c3ncn(C)n3)cc2)C1 ZINC000184133889 396286086 /nfs/dbraw/zinc/28/60/86/396286086.db2.gz RXJQLJQLQBSRGS-UHFFFAOYSA-N 0 0 313.361 0.690 10 0 DCAERN O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CC(CO)C1 ZINC000184227992 396288626 /nfs/dbraw/zinc/28/86/26/396288626.db2.gz HWDFXQBKPLHQDV-HNNXBMFYSA-N 0 0 308.353 0.650 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC(=O)N1C ZINC000282443140 396290796 /nfs/dbraw/zinc/29/07/96/396290796.db2.gz RWDVVZFJSOUYIA-NSHDSACASA-N 0 0 303.362 0.691 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000184326901 396291357 /nfs/dbraw/zinc/29/13/57/396291357.db2.gz WYCVOCOLASVJHL-GFCCVEGCSA-N 0 0 306.428 0.720 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)c1nnc2ccccn21 ZINC000184356659 396292339 /nfs/dbraw/zinc/29/23/39/396292339.db2.gz OKODDBAZJHXWBI-HBNTYKKESA-N 0 0 310.379 0.887 10 0 DCAERN CCCCn1cc(C(=O)NC[C@H](O)CN2CCOCC2)c(C)n1 ZINC000184350579 396292366 /nfs/dbraw/zinc/29/23/66/396292366.db2.gz PFHMVDFQWYRZGO-AWEZNQCLSA-N 0 0 324.425 0.415 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCCCc1cnn(C)c1 ZINC000184363417 396292413 /nfs/dbraw/zinc/29/24/13/396292413.db2.gz BCSZWPXZXHXCNO-OAHLLOKOSA-N 0 0 308.426 0.970 10 0 DCAERN CCN(C)C(=O)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000184459914 396296000 /nfs/dbraw/zinc/29/60/00/396296000.db2.gz JUNRRACBLPPMTJ-UHFFFAOYSA-N 0 0 301.346 0.596 10 0 DCAERN O=C(NCc1cccc(CO)c1)N1CCO[C@]2(CCOC2)C1 ZINC000184493610 396297312 /nfs/dbraw/zinc/29/73/12/396297312.db2.gz FFKQJWXTBAAXPJ-MRXNPFEDSA-N 0 0 306.362 0.880 10 0 DCAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCN(CCO)CC1 ZINC000184529222 396297785 /nfs/dbraw/zinc/29/77/85/396297785.db2.gz PETMOMJBAARDFF-VIFPVBQESA-N 0 0 304.334 0.267 10 0 DCAERN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000184539362 396297978 /nfs/dbraw/zinc/29/79/78/396297978.db2.gz QKSLOMZVSVYWNH-ZDUSSCGKSA-N 0 0 317.389 0.942 10 0 DCAERN CN(C)c1noc(CSc2nnnn2C[C@H]2CCCO2)n1 ZINC000184543943 396298766 /nfs/dbraw/zinc/29/87/66/396298766.db2.gz VRGWLUMHXQQAPR-MRVPVSSYSA-N 0 0 311.371 0.593 10 0 DCAERN NC(=O)NCC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000184592404 396299583 /nfs/dbraw/zinc/29/95/83/396299583.db2.gz BEITYULKWUHYFE-UHFFFAOYSA-N 0 0 321.312 0.593 10 0 DCAERN CCc1c(C(=O)CN2C[C@H](O)C[C@@H]2CO)[nH]c(C)c1C(C)=O ZINC000184734614 396303980 /nfs/dbraw/zinc/30/39/80/396303980.db2.gz PCRZRORNBCKYNQ-VXGBXAGGSA-N 0 0 308.378 0.698 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCc2cccnc2)CC1 ZINC000184797280 396306854 /nfs/dbraw/zinc/30/68/54/396306854.db2.gz YZBIOALHDHUACO-HNNXBMFYSA-N 0 0 306.410 0.722 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)c1cnc2c(c1)nnn2C ZINC000184849857 396308741 /nfs/dbraw/zinc/30/87/41/396308741.db2.gz YXWYGEFPQOZUOU-UHFFFAOYSA-N 0 0 308.305 0.967 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000265335570 396308750 /nfs/dbraw/zinc/30/87/50/396308750.db2.gz UEUKOJBTJAFNGC-HNNXBMFYSA-N 0 0 322.409 0.097 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185203461 396321867 /nfs/dbraw/zinc/32/18/67/396321867.db2.gz ZWVFOFAFMJWLSN-RYUDHWBXSA-N 0 0 307.398 0.479 10 0 DCAERN CCC1(CC)CN(CCCN2C(=O)CNC2=O)CC[S@@]1=O ZINC000185238969 396322274 /nfs/dbraw/zinc/32/22/74/396322274.db2.gz VWJJVMHFLNVMFZ-NRFANRHFSA-N 0 0 315.439 0.551 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)C1 ZINC000185275893 396323894 /nfs/dbraw/zinc/32/38/94/396323894.db2.gz HKQMXQBBQFKNHE-BONVTDFDSA-N 0 0 304.346 0.525 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000185308863 396324287 /nfs/dbraw/zinc/32/42/87/396324287.db2.gz IULDBPNVBHTJSF-STQMWFEESA-N 0 0 311.407 0.768 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2cn3c(n2)CCCC3)CCC1=O ZINC000265697086 396337859 /nfs/dbraw/zinc/33/78/59/396337859.db2.gz PFFFIRXURNHZCR-NSHDSACASA-N 0 0 305.382 0.639 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)NC(=O)NCc1ccco1 ZINC000185930618 396338006 /nfs/dbraw/zinc/33/80/06/396338006.db2.gz IPPAKIIRPNVNCI-OAHLLOKOSA-N 0 0 322.365 0.335 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186084393 396340660 /nfs/dbraw/zinc/34/06/60/396340660.db2.gz ZJESQNPIDDIDJR-INIZCTEOSA-N 0 0 312.410 0.947 10 0 DCAERN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000186018028 396339453 /nfs/dbraw/zinc/33/94/53/396339453.db2.gz WHMKRYTYZRYTCO-KRWDZBQOSA-N 0 0 318.373 0.885 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000185783427 396335120 /nfs/dbraw/zinc/33/51/20/396335120.db2.gz VDVNIVOXWPDIEK-LLVKDONJSA-N 0 0 322.413 0.494 10 0 DCAERN O=S(=O)(Cc1noc2ccccc12)NCCCn1ccnn1 ZINC000186084585 396340863 /nfs/dbraw/zinc/34/08/63/396340863.db2.gz RHZANFDPJWZDPD-UHFFFAOYSA-N 0 0 321.362 0.929 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000186565645 396352850 /nfs/dbraw/zinc/35/28/50/396352850.db2.gz GURXGARRYZUZIP-WBVHZDCISA-N 0 0 321.421 0.914 10 0 DCAERN O=S(=O)(c1cnn(CC(F)F)c1)N1CCN(C2CC2)CC1 ZINC000186702103 396356148 /nfs/dbraw/zinc/35/61/48/396356148.db2.gz MZYBYSUAXFMGIH-UHFFFAOYSA-N 0 0 320.365 0.617 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)C[C@H](C)O1 ZINC000187610194 396371435 /nfs/dbraw/zinc/37/14/35/396371435.db2.gz JRPPVSSPVKJFQD-SDDRHHMPSA-N 0 0 309.370 0.558 10 0 DCAERN CCOC(=O)c1nn(C)cc1CNc1cnn(CC(=O)NC)c1 ZINC000186397976 396349325 /nfs/dbraw/zinc/34/93/25/396349325.db2.gz DFXLUVUNQXGPDP-UHFFFAOYSA-N 0 0 320.353 0.151 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCC(C)(CO)CC2)C[C@@H](C)O1 ZINC000186402724 396349470 /nfs/dbraw/zinc/34/94/70/396349470.db2.gz RHHJINOMNBAOOV-VXGBXAGGSA-N 0 0 306.428 0.435 10 0 DCAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285414497 396350184 /nfs/dbraw/zinc/35/01/84/396350184.db2.gz HQNOXCKWJLKGMM-CQSZACIVSA-N 0 0 312.753 0.801 10 0 DCAERN CCc1ccc(CNC(=O)N2CC(NC(=O)COC)C2)s1 ZINC000188396763 396381720 /nfs/dbraw/zinc/38/17/20/396381720.db2.gz NPCBEUURBPZJKZ-UHFFFAOYSA-N 0 0 311.407 0.967 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCCOc1ccccc1 ZINC000188604845 396383664 /nfs/dbraw/zinc/38/36/64/396383664.db2.gz NGLOILHTASRQLL-GDBMZVCRSA-N 0 0 320.389 0.896 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1CCO ZINC000188787142 396386339 /nfs/dbraw/zinc/38/63/39/396386339.db2.gz ZSVVJMVVTNAMDE-GFCCVEGCSA-N 0 0 316.361 0.875 10 0 DCAERN C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)CCN1CCO ZINC000188784629 396386671 /nfs/dbraw/zinc/38/66/71/396386671.db2.gz YKBKLDODBRYBRZ-NSHDSACASA-N 0 0 310.419 0.959 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188810887 396387527 /nfs/dbraw/zinc/38/75/27/396387527.db2.gz OMXGOMZLVUBOTG-GFCCVEGCSA-N 0 0 310.369 0.902 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCCNC(=O)[C@@H]2C)CC1=O ZINC000188858257 396388226 /nfs/dbraw/zinc/38/82/26/396388226.db2.gz PNIDBDURZRRQIW-AVGNSLFASA-N 0 0 309.410 0.761 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CCCNC(=O)c1ccsc1 ZINC000188911929 396388356 /nfs/dbraw/zinc/38/83/56/396388356.db2.gz MZABXLOFGTYBJC-LLVKDONJSA-N 0 0 323.418 0.995 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1)C1CCC1 ZINC000188899260 396388377 /nfs/dbraw/zinc/38/83/77/396388377.db2.gz MCKFRXGBRBNBAM-LBPRGKRZSA-N 0 0 317.393 0.577 10 0 DCAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1C1CCOCC1 ZINC000188932060 396388832 /nfs/dbraw/zinc/38/88/32/396388832.db2.gz WPPXXTWGRXIERT-GFCCVEGCSA-N 0 0 320.393 0.894 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000269143611 396389226 /nfs/dbraw/zinc/38/92/26/396389226.db2.gz LNYTZKOZRPRKFK-ZJUUUORDSA-N 0 0 309.370 0.976 10 0 DCAERN COCCN1CCCN(C(=O)Cc2ccc(C)nc2)CC1=O ZINC000189050752 396389771 /nfs/dbraw/zinc/38/97/71/396389771.db2.gz OZTIQXBTWXHESY-UHFFFAOYSA-N 0 0 305.378 0.640 10 0 DCAERN CCOc1cccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189296247 396392943 /nfs/dbraw/zinc/39/29/43/396392943.db2.gz QJMWBCWXCVCYBY-CYBMUJFWSA-N 0 0 319.405 0.912 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CC(CO)C2)C(=O)N1c1ccccc1 ZINC000189321905 396393421 /nfs/dbraw/zinc/39/34/21/396393421.db2.gz XVTMUYZDFGPHJN-BXUZGUMPSA-N 0 0 303.362 0.814 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCC(=O)NC(C)C)CC2)n[nH]1 ZINC000189698683 396397874 /nfs/dbraw/zinc/39/78/74/396397874.db2.gz AITIZSOCUNCTJG-UHFFFAOYSA-N 0 0 322.413 0.464 10 0 DCAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286715001 396397983 /nfs/dbraw/zinc/39/79/83/396397983.db2.gz BIOCUKRZDODSGR-ZETCQYMHSA-N 0 0 323.296 0.609 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189757754 396398364 /nfs/dbraw/zinc/39/83/64/396398364.db2.gz QKQGXGQRYZGGDZ-UHFFFAOYSA-N 0 0 323.397 0.845 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H](C)N3CCSCC3)CC2)n[nH]1 ZINC000189749079 396398467 /nfs/dbraw/zinc/39/84/67/396398467.db2.gz PSUOQIMWICYDFS-CYBMUJFWSA-N 0 0 323.466 0.804 10 0 DCAERN CN1CCCN(C(=O)c2cccc(C[S@](C)=O)c2)CC1=O ZINC000189779954 396398940 /nfs/dbraw/zinc/39/89/40/396398940.db2.gz VHXGOJFTYQCIED-NRFANRHFSA-N 0 0 308.403 0.869 10 0 DCAERN C[C@@H](CC(=O)N1CCCN(C)C(=O)C1)NC(=O)C1CCCC1 ZINC000189797579 396399424 /nfs/dbraw/zinc/39/94/24/396399424.db2.gz BDGUKNSOWLLDJL-LBPRGKRZSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(NC1CN(C(=O)NCCOc2ccccc2)C1)C1CC1 ZINC000189951316 396400892 /nfs/dbraw/zinc/40/08/92/396400892.db2.gz BFIACFBJZVGFJB-UHFFFAOYSA-N 0 0 303.362 0.985 10 0 DCAERN CCN1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1=O ZINC000190031424 396401746 /nfs/dbraw/zinc/40/17/46/396401746.db2.gz YPWMFBMOWBWUPD-UHFFFAOYSA-N 0 0 319.287 0.770 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCc3c[nH]nc32)C1 ZINC000190163634 396402921 /nfs/dbraw/zinc/40/29/21/396402921.db2.gz ARTUEMXVCRKECJ-VXGBXAGGSA-N 0 0 306.366 0.528 10 0 DCAERN CN1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1=O ZINC000190239834 396403676 /nfs/dbraw/zinc/40/36/76/396403676.db2.gz KZELYNWONYSYSK-LLVKDONJSA-N 0 0 310.398 0.260 10 0 DCAERN CCc1nnc(C2CCN(S(=O)(=O)CCCOC)CC2)[nH]1 ZINC000190485164 396406371 /nfs/dbraw/zinc/40/63/71/396406371.db2.gz MSDUCHLIONDSQR-UHFFFAOYSA-N 0 0 316.427 0.913 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000190558226 396407745 /nfs/dbraw/zinc/40/77/45/396407745.db2.gz VRWUEYYVLVSVIT-CQSZACIVSA-N 0 0 320.455 0.715 10 0 DCAERN CCc1nc(C2CCN(CCNS(=O)(=O)CC)CC2)n[nH]1 ZINC000190704817 396410485 /nfs/dbraw/zinc/41/04/85/396410485.db2.gz QJVLSYDSOMFWSG-UHFFFAOYSA-N 0 0 315.443 0.486 10 0 DCAERN NC(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000193151903 396444790 /nfs/dbraw/zinc/44/47/90/396444790.db2.gz YSCDUVNAPIVYNI-CYBMUJFWSA-N 0 0 303.362 0.673 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190800116 396411782 /nfs/dbraw/zinc/41/17/82/396411782.db2.gz UUEMFUVTFKZFEP-AAEUAGOBSA-N 0 0 323.397 0.511 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1nnnn1CC(F)(F)F ZINC000190863082 396412517 /nfs/dbraw/zinc/41/25/17/396412517.db2.gz GLJPLXHIHGNOGC-HTQZYQBOSA-N 0 0 306.292 0.321 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CCC[C@H](n2cncn2)C1 ZINC000190868938 396412742 /nfs/dbraw/zinc/41/27/42/396412742.db2.gz WZTVFEGZPLAPNE-VIFPVBQESA-N 0 0 316.291 0.664 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)N1CCN2CCC1CC2 ZINC000191076832 396415051 /nfs/dbraw/zinc/41/50/51/396415051.db2.gz PKDMZMDGWVLAOG-UHFFFAOYSA-N 0 0 316.814 0.786 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCN1CCCCCC1=O ZINC000191121490 396415696 /nfs/dbraw/zinc/41/56/96/396415696.db2.gz XTWRXKYBIJNFMA-CYBMUJFWSA-N 0 0 324.425 0.699 10 0 DCAERN CN1CCCN(CC(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191145831 396415999 /nfs/dbraw/zinc/41/59/99/396415999.db2.gz LNSCJOWPXUMHBK-UHFFFAOYSA-N 0 0 318.377 0.177 10 0 DCAERN COCCC[C@@H](C)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000191215026 396416559 /nfs/dbraw/zinc/41/65/59/396416559.db2.gz RBTOWKGWGVDHGY-CYBMUJFWSA-N 0 0 300.399 0.756 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCC(=O)NC1CCCCC1 ZINC000191267922 396417400 /nfs/dbraw/zinc/41/74/00/396417400.db2.gz LIVGMRHREBOVPT-GFCCVEGCSA-N 0 0 324.425 0.745 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)CC1=O ZINC000191246481 396417567 /nfs/dbraw/zinc/41/75/67/396417567.db2.gz RELCDUFDDRZMPO-UONOGXRCSA-N 0 0 324.421 0.945 10 0 DCAERN COCCN1CCCN(C(=O)c2n[nH]c3ccccc32)CC1=O ZINC000191246422 396417631 /nfs/dbraw/zinc/41/76/31/396417631.db2.gz SYGGROAGUFRUMK-UHFFFAOYSA-N 0 0 316.361 0.884 10 0 DCAERN CCc1nnc(C2CCN(C(=O)CN(C)C(=O)COC)CC2)[nH]1 ZINC000191520480 396420336 /nfs/dbraw/zinc/42/03/36/396420336.db2.gz TYRPBJLNEODLSJ-UHFFFAOYSA-N 0 0 323.397 0.178 10 0 DCAERN CCN1CN(CC(=O)NCCCN(C)c2ccccc2)CC1=O ZINC000191568978 396422140 /nfs/dbraw/zinc/42/21/40/396422140.db2.gz VPLXRDIXUYLMCL-UHFFFAOYSA-N 0 0 318.421 0.751 10 0 DCAERN COC(=O)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000192766624 396437475 /nfs/dbraw/zinc/43/74/75/396437475.db2.gz FHKXZVWAOHULIV-PWSUYJOCSA-N 0 0 308.309 0.335 10 0 DCAERN Cn1nccc1CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000192876529 396439550 /nfs/dbraw/zinc/43/95/50/396439550.db2.gz XLIBKFNXSZERDP-DTWKUNHWSA-N 0 0 304.272 0.493 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187917860 396376548 /nfs/dbraw/zinc/37/65/48/396376548.db2.gz VQKSPMAGKVVMOV-UHFFFAOYSA-N 0 0 301.412 0.174 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188023260 396377826 /nfs/dbraw/zinc/37/78/26/396377826.db2.gz MFRIWEQCMRBAIW-IJLUTSLNSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000286157411 396378224 /nfs/dbraw/zinc/37/82/24/396378224.db2.gz HELCCGHZRFKPSD-OUCADQQQSA-N 0 0 320.393 0.625 10 0 DCAERN Cc1ccc(C[C@@H](CO)NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000188045362 396378568 /nfs/dbraw/zinc/37/85/68/396378568.db2.gz QIVPRWVCXYCUTC-HOTGVXAUSA-N 0 0 321.421 0.528 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)[C@@H]1C ZINC000291742045 396510065 /nfs/dbraw/zinc/51/00/65/396510065.db2.gz LUFYYZVHEAWKDG-NXEZZACHSA-N 0 0 306.366 0.872 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000193283765 396448369 /nfs/dbraw/zinc/44/83/69/396448369.db2.gz DNPCDHUKIYVUMD-LBPRGKRZSA-N 0 0 306.366 0.084 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CCNC(=O)CC2)n1 ZINC000193393979 396450227 /nfs/dbraw/zinc/45/02/27/396450227.db2.gz GLUDNDWMWAINFI-UHFFFAOYSA-N 0 0 310.379 0.383 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000193454082 396451235 /nfs/dbraw/zinc/45/12/35/396451235.db2.gz WMMXTYCUUQKWEJ-YJNKXOJESA-N 0 0 312.410 0.536 10 0 DCAERN O=c1cc(N2CCS(=O)(=O)CC2)cnn1Cc1ccccc1 ZINC000270070422 396460637 /nfs/dbraw/zinc/46/06/37/396460637.db2.gz NZACMHGKJYISCQ-UHFFFAOYSA-N 0 0 319.386 0.526 10 0 DCAERN COCCOc1ccccc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000371789589 396476938 /nfs/dbraw/zinc/47/69/38/396476938.db2.gz SQPVTMBGHFUNKT-CQSZACIVSA-N 0 0 320.389 0.868 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000371828527 396477965 /nfs/dbraw/zinc/47/79/65/396477965.db2.gz JJDOSORBHOIGKE-CQSZACIVSA-N 0 0 318.377 0.595 10 0 DCAERN O=C(c1cc(F)cc2nc[nH]c21)N1CCN2CCOC[C@H]2C1 ZINC000371870210 396479280 /nfs/dbraw/zinc/47/92/80/396479280.db2.gz ODQNHHKEEWKBCD-LLVKDONJSA-N 0 0 304.325 0.859 10 0 DCAERN CCNC(=O)NC1(C(=O)N2CCN3CCOC[C@@H]3C2)CCCC1 ZINC000371871058 396479346 /nfs/dbraw/zinc/47/93/46/396479346.db2.gz WWHKHGWSJCWRQK-ZDUSSCGKSA-N 0 0 324.425 0.161 10 0 DCAERN COc1cc(CN2CCN3CCOC[C@H]3C2)cc2c1OCO2 ZINC000371888073 396479370 /nfs/dbraw/zinc/47/93/70/396479370.db2.gz LZHGRGYFMWTMFE-CYBMUJFWSA-N 0 0 306.362 0.940 10 0 DCAERN Cc1nccn1CCCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000371982407 396481767 /nfs/dbraw/zinc/48/17/67/396481767.db2.gz ADHHKBHVEKOVCS-OAHLLOKOSA-N 0 0 321.425 0.698 10 0 DCAERN O=C(NC[C@H](O)C1CC1)C(=O)Nc1cccc2c1OCCC2 ZINC000372000908 396482067 /nfs/dbraw/zinc/48/20/67/396482067.db2.gz APFWVZKKIGWLIC-ZDUSSCGKSA-N 0 0 304.346 0.837 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@@H](CC(N)=O)C2)CC1=O ZINC000372589065 396530124 /nfs/dbraw/zinc/53/01/24/396530124.db2.gz ZZLLGDTZTTVUKV-XQHKEYJVSA-N 0 0 322.409 0.293 10 0 DCAERN Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000373326626 396584687 /nfs/dbraw/zinc/58/46/87/396584687.db2.gz UOWLNGBKWMBFEZ-GXTWGEPZSA-N 0 0 305.378 0.793 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000372658755 396535067 /nfs/dbraw/zinc/53/50/67/396535067.db2.gz BDENMVKMDNEIOF-STQMWFEESA-N 0 0 323.422 0.438 10 0 DCAERN CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1 ZINC000581323179 396546186 /nfs/dbraw/zinc/54/61/86/396546186.db2.gz WWTPAJSTIGVHJT-UHFFFAOYSA-N 0 0 315.381 0.960 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCC23CC3)CC1 ZINC000528472391 396554676 /nfs/dbraw/zinc/55/46/76/396554676.db2.gz SIDZJNJQSRXXPT-CQSZACIVSA-N 0 0 321.421 0.764 10 0 DCAERN O=C(c1ccc(N2CCCC2)nn1)N1CCN2CCOC[C@H]2C1 ZINC000373242143 396577817 /nfs/dbraw/zinc/57/78/17/396577817.db2.gz DWLNHVMBDREXJX-CYBMUJFWSA-N 0 0 317.393 0.233 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@@H]1C ZINC000374225935 396648909 /nfs/dbraw/zinc/64/89/09/396648909.db2.gz UHRCYADPIGVEOW-MELADBBJSA-N 0 0 320.437 0.439 10 0 DCAERN CN(CC(=O)Nc1nc2ccccc2s1)Cc1nnnn1C ZINC000533481820 396603728 /nfs/dbraw/zinc/60/37/28/396603728.db2.gz OVPWHSINRQHIQX-UHFFFAOYSA-N 0 0 317.378 0.890 10 0 DCAERN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CNC(=O)C1CC1 ZINC000533536054 396604807 /nfs/dbraw/zinc/60/48/07/396604807.db2.gz HYKIBNZQAXGREB-UHFFFAOYSA-N 0 0 318.299 0.924 10 0 DCAERN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCCNC(=O)[C@@H]2C)cnn1C ZINC000373694183 396608123 /nfs/dbraw/zinc/60/81/23/396608123.db2.gz FCDQUEHGKAOWAD-OBJOEFQTSA-N 0 0 320.393 0.543 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000373816137 396616096 /nfs/dbraw/zinc/61/60/96/396616096.db2.gz TXJZUTDSIRDPND-JTQLQIEISA-N 0 0 321.381 0.219 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000374122042 396640650 /nfs/dbraw/zinc/64/06/50/396640650.db2.gz PHZPUTOHZPKXRS-DGAVXFQQSA-N 0 0 321.421 0.903 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccsc1 ZINC000586593891 396661349 /nfs/dbraw/zinc/66/13/49/396661349.db2.gz BWXFLIAHAXIFSC-UHFFFAOYSA-N 0 0 317.436 0.973 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(C3CC3)CC2)CCOCC1 ZINC000586756761 396662241 /nfs/dbraw/zinc/66/22/41/396662241.db2.gz WFRCLFVDOUIFOQ-UHFFFAOYSA-N 0 0 310.394 0.653 10 0 DCAERN O=C(CCc1cscn1)NCCCN1CCCS1(=O)=O ZINC000586763098 396663700 /nfs/dbraw/zinc/66/37/00/396663700.db2.gz SUDXTLWWZXZABV-UHFFFAOYSA-N 0 0 317.436 0.618 10 0 DCAERN CN(CC(F)(F)F)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000374448771 396664903 /nfs/dbraw/zinc/66/49/03/396664903.db2.gz JLHPRRSECPJHRP-JTQLQIEISA-N 0 0 323.315 0.970 10 0 DCAERN C[C@@H]1C[C@@H](CCNC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000374606209 396676295 /nfs/dbraw/zinc/67/62/95/396676295.db2.gz RXPISWRDGQEMHW-NDBYEHHHSA-N 0 0 313.398 0.476 10 0 DCAERN CC(C)SCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000588120787 396678140 /nfs/dbraw/zinc/67/81/40/396678140.db2.gz SHYDDLUYELUUSH-UHFFFAOYSA-N 0 0 323.484 0.853 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000374693309 396680760 /nfs/dbraw/zinc/68/07/60/396680760.db2.gz WGJWSKLWUFKXOC-UBHSHLNASA-N 0 0 321.377 0.487 10 0 DCAERN CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC(n2ccnn2)C1 ZINC000374810670 396689530 /nfs/dbraw/zinc/68/95/30/396689530.db2.gz WJZXOLASTUPRBC-DHDCSXOGSA-N 0 0 311.345 0.839 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374967398 396701345 /nfs/dbraw/zinc/70/13/45/396701345.db2.gz ZCOSPYGMSWWLPL-ZDUSSCGKSA-N 0 0 306.362 0.617 10 0 DCAERN NC(=O)CC[C@H]1CCCN(C(=O)c2cn3cccnc3n2)C1 ZINC000589141876 396705484 /nfs/dbraw/zinc/70/54/84/396705484.db2.gz YKLMQUAHMZLKSW-LLVKDONJSA-N 0 0 301.350 0.847 10 0 DCAERN Cn1cc([C@@H](O)C(=O)NCc2ccccc2-n2cccn2)cn1 ZINC000375083548 396710557 /nfs/dbraw/zinc/71/05/57/396710557.db2.gz FYLVGLVIMVSHEW-OAHLLOKOSA-N 0 0 311.345 0.956 10 0 DCAERN CCS(=O)(=O)N1CC(CNc2nc(OC)ncc2Cl)C1 ZINC000302558868 396720263 /nfs/dbraw/zinc/72/02/63/396720263.db2.gz MHSIGLJZUGGLJV-UHFFFAOYSA-N 0 0 320.802 0.832 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3C[C@@H](C)O[C@@H](CO)C3)n2)n1 ZINC000302744664 396722355 /nfs/dbraw/zinc/72/23/55/396722355.db2.gz DVQYTWIFBMMWBD-CHWSQXEVSA-N 0 0 303.366 0.865 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC3(CCO3)CC2)C1 ZINC000375596017 396777584 /nfs/dbraw/zinc/77/75/84/396777584.db2.gz GRKXUOJTMZYTSB-LBPRGKRZSA-N 0 0 310.398 0.755 10 0 DCAERN NC(=O)[C@@H]1CN(Cc2cnc3cnccn23)C[C@H]1C(F)(F)F ZINC000375361945 396732833 /nfs/dbraw/zinc/73/28/33/396732833.db2.gz MPJATLVYXXQSTH-NXEZZACHSA-N 0 0 313.283 0.825 10 0 DCAERN CC(=O)N[C@H](C(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C ZINC000617501754 396741225 /nfs/dbraw/zinc/74/12/25/396741225.db2.gz WULOITXXBNPRKO-ZFWWWQNUSA-N 0 0 317.389 0.851 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1O ZINC000375424831 396742052 /nfs/dbraw/zinc/74/20/52/396742052.db2.gz HUGZLXZCLBZNOZ-CYBMUJFWSA-N 0 0 321.377 0.627 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000375426857 396743463 /nfs/dbraw/zinc/74/34/63/396743463.db2.gz QVYBFWNIUHTHGW-DUPGQFARSA-N 0 0 310.394 0.792 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000625032750 396752513 /nfs/dbraw/zinc/75/25/13/396752513.db2.gz IVXWWJJEKNKAOT-RISCZKNCSA-N 0 0 322.409 0.402 10 0 DCAERN O=C([O-])C1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000309648081 396757913 /nfs/dbraw/zinc/75/79/13/396757913.db2.gz DRVVSZYDHSJOOS-AWEZNQCLSA-N 0 0 303.362 0.987 10 0 DCAERN NC(=O)[C@]1(O)CCCN(c2ncc(Br)cc2F)C1 ZINC000311197630 396759614 /nfs/dbraw/zinc/75/96/14/396759614.db2.gz IYYXFXOCLIBLHX-NSHDSACASA-N 0 0 318.146 0.800 10 0 DCAERN O=C1NCC[C@@H]1Nc1ncc(I)cn1 ZINC000596311612 396761182 /nfs/dbraw/zinc/76/11/82/396761182.db2.gz OKOIWZYUMGCPGL-LURJTMIESA-N 0 0 304.091 0.382 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@@](C)(O)C(C)C ZINC000312518174 396764709 /nfs/dbraw/zinc/76/47/09/396764709.db2.gz OCGKALRZGNBJDM-NQBHXWOUSA-N 0 0 307.412 0.655 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000375532341 396767821 /nfs/dbraw/zinc/76/78/21/396767821.db2.gz FOCDZKLICUSDEO-VIFPVBQESA-N 0 0 323.324 0.501 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000375534392 396767842 /nfs/dbraw/zinc/76/78/42/396767842.db2.gz OWZPDCSBROIRAY-VIFPVBQESA-N 0 0 323.324 0.501 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000375783865 396819750 /nfs/dbraw/zinc/81/97/50/396819750.db2.gz FXHADZRAVMRZNO-OLZOCXBDSA-N 0 0 321.381 0.414 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C(=O)Cc3ccoc3)C1)C2 ZINC000328632970 396827040 /nfs/dbraw/zinc/82/70/40/396827040.db2.gz LQQLSCYAXJLPTK-UHFFFAOYSA-N 0 0 315.377 0.703 10 0 DCAERN CCc1nnc2n1CCN(C1CN(C(=O)[C@H]3CCCOC3)C1)C2 ZINC000328634074 396827216 /nfs/dbraw/zinc/82/72/16/396827216.db2.gz MMEDOCNAZYXJMQ-LBPRGKRZSA-N 0 0 319.409 0.294 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CCc2nccn2C1 ZINC000328630884 396827438 /nfs/dbraw/zinc/82/74/38/396827438.db2.gz QJOAIRJZHVVAEH-STQMWFEESA-N 0 0 313.423 0.934 10 0 DCAERN CCOc1ccc(C(=O)N2CCc3c(ncn(C)c3=O)C2)cn1 ZINC000328644813 396828658 /nfs/dbraw/zinc/82/86/58/396828658.db2.gz ZJTOTPRLHQGCKN-UHFFFAOYSA-N 0 0 314.345 0.773 10 0 DCAERN Cn1cc(O[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cn1 ZINC000625313723 396835805 /nfs/dbraw/zinc/83/58/05/396835805.db2.gz LYTSAOMJUXGCPZ-ZIAGYGMSSA-N 0 0 323.374 0.233 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@@H](O)C(F)(F)C1)C1CCCC1 ZINC000617817409 396837802 /nfs/dbraw/zinc/83/78/02/396837802.db2.gz MMZBAKXXONZMHX-NEPJUHHUSA-N 0 0 304.337 0.910 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCO[C@H]2CCC[C@H]21 ZINC000329329120 396842861 /nfs/dbraw/zinc/84/28/61/396842861.db2.gz VEDPQBHKQSIYIJ-RQJABVFESA-N 0 0 320.389 0.942 10 0 DCAERN O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329488379 396845256 /nfs/dbraw/zinc/84/52/56/396845256.db2.gz ULBGJFVSRBMODL-CYBMUJFWSA-N 0 0 314.345 0.950 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC000611010969 396803416 /nfs/dbraw/zinc/80/34/16/396803416.db2.gz WZODULIJGJRTPN-RYUDHWBXSA-N 0 0 306.366 0.561 10 0 DCAERN O=C(CNCC(F)(F)F)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634235207 396817145 /nfs/dbraw/zinc/81/71/45/396817145.db2.gz LTPGTZINGMYODA-NKWVEPMBSA-N 0 0 308.222 0.768 10 0 DCAERN C[C@H]1C[C@H]1Cn1c(=O)c(I)cn(C)c1=O ZINC000600530561 396884964 /nfs/dbraw/zinc/88/49/64/396884964.db2.gz DAXQWXMKMVKXLU-BQBZGAKWSA-N 0 0 320.130 0.808 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H]3CCC[C@@H]31)CC2 ZINC000332748004 396891564 /nfs/dbraw/zinc/89/15/64/396891564.db2.gz DYXMEBGAWDQIMP-AGIUHOORSA-N 0 0 305.382 0.864 10 0 DCAERN C[C@@H](SCC1CCOCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000332912214 396903497 /nfs/dbraw/zinc/90/34/97/396903497.db2.gz ZQDSMORQIGISSQ-ZYHUDNBSSA-N 0 0 321.464 0.838 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C[C@@H](C)C1=O ZINC000618092472 396903758 /nfs/dbraw/zinc/90/37/58/396903758.db2.gz AFALTQCVEYUNDH-MXWKQRLJSA-N 0 0 302.396 0.094 10 0 DCAERN CCOC(=O)CCCS(=O)(=O)N1CCOCC2(CC2)C1 ZINC000611794646 396930390 /nfs/dbraw/zinc/93/03/90/396930390.db2.gz RCYFSBDQBHURFH-UHFFFAOYSA-N 0 0 305.396 0.772 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCOC[C@H]1O ZINC000625597936 396942483 /nfs/dbraw/zinc/94/24/83/396942483.db2.gz PJHZVWRJDZWINN-WDEREUQCSA-N 0 0 301.364 0.432 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)NCc1cn(C)nn1)CC2 ZINC000611951194 396957460 /nfs/dbraw/zinc/95/74/60/396957460.db2.gz MUJZZLYJPZJQAB-LLVKDONJSA-N 0 0 307.354 0.300 10 0 DCAERN COC(=O)[C@@H]1CCc2nnc(CNC(=O)c3ccco3)n2CC1 ZINC000601044898 396997658 /nfs/dbraw/zinc/99/76/58/396997658.db2.gz SJWVGMUDBHLOQQ-SNVBAGLBSA-N 0 0 318.333 0.927 10 0 DCAERN COC(=O)[C@H]1CCc2nnc(CNC(=O)c3ccco3)n2CC1 ZINC000601044897 396997734 /nfs/dbraw/zinc/99/77/34/396997734.db2.gz SJWVGMUDBHLOQQ-JTQLQIEISA-N 0 0 318.333 0.927 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCCc2noc(CC)n2)C1 ZINC000591841405 397007004 /nfs/dbraw/zinc/00/70/04/397007004.db2.gz GAEUUULOVRTCHU-LLVKDONJSA-N 0 0 323.397 0.875 10 0 DCAERN C[C@@H]1CN(C(=O)c2cncc(Cl)c2)CCN1S(C)(=O)=O ZINC000618674094 397007945 /nfs/dbraw/zinc/00/79/45/397007945.db2.gz AAOREXMUTTWJFD-SECBINFHSA-N 0 0 317.798 0.841 10 0 DCAERN C[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)CCN1S(C)(=O)=O ZINC000618677822 397011505 /nfs/dbraw/zinc/01/15/05/397011505.db2.gz ZELCYPZPQFBVFP-DGCLKSJQSA-N 0 0 304.412 0.295 10 0 DCAERN CCc1noc(C)c1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618680413 397013082 /nfs/dbraw/zinc/01/30/82/397013082.db2.gz WPQQXTAMXSWLOK-SECBINFHSA-N 0 0 315.395 0.651 10 0 DCAERN O=C(c1cc2ccccc2c(=O)o1)N1CCN2CCOC[C@H]2C1 ZINC000377093288 397029327 /nfs/dbraw/zinc/02/93/27/397029327.db2.gz RHUBICPQYWSOGR-CYBMUJFWSA-N 0 0 314.341 0.950 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)N1CCCSCC1)n1cccn1 ZINC000618387348 396974283 /nfs/dbraw/zinc/97/42/83/396974283.db2.gz LAZHESWBTYAHHZ-LBPRGKRZSA-N 0 0 310.423 0.868 10 0 DCAERN C[S@](=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000612489747 397071136 /nfs/dbraw/zinc/07/11/36/397071136.db2.gz IMONANRGYVPVBP-ASSNKEHSSA-N 0 0 308.403 0.581 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000377167864 397041281 /nfs/dbraw/zinc/04/12/81/397041281.db2.gz OEDVGYDATWDHQF-TZMCWYRMSA-N 0 0 305.382 0.126 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000630571330 397048639 /nfs/dbraw/zinc/04/86/39/397048639.db2.gz MCRLCBLOJVSLSJ-UONOGXRCSA-N 0 0 305.378 0.521 10 0 DCAERN CC(=O)C[C@H](C)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@@H](C)CC(C)=O ZINC000612790483 397138691 /nfs/dbraw/zinc/13/86/91/397138691.db2.gz FUAHQFLZILNSCH-QYAIJTBZSA-N 0 0 310.394 0.836 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000619563165 397149035 /nfs/dbraw/zinc/14/90/35/397149035.db2.gz QVCFNRQPVJKMIZ-NEPJUHHUSA-N 0 0 323.393 0.734 10 0 DCAERN Cc1cnn(CCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000592418897 397171548 /nfs/dbraw/zinc/17/15/48/397171548.db2.gz FAKYOBWOFKMLJK-AWEZNQCLSA-N 0 0 305.426 0.476 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)c2ccccc21 ZINC000613019052 397180140 /nfs/dbraw/zinc/18/01/40/397180140.db2.gz RFHKOSUIWXMVIS-QWHCGFSZSA-N 0 0 316.361 0.624 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1ncnc2onc(C)c21 ZINC000619697908 397175722 /nfs/dbraw/zinc/17/57/22/397175722.db2.gz WYOLCXIADLLUMH-DTWKUNHWSA-N 0 0 321.337 0.794 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCCOC[C@H]2CCOC2)cn1 ZINC000597837240 397119599 /nfs/dbraw/zinc/11/95/99/397119599.db2.gz QFBQKDMURURAKA-LBPRGKRZSA-N 0 0 323.393 0.990 10 0 DCAERN CSC1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCC1 ZINC000598216571 397189958 /nfs/dbraw/zinc/18/99/58/397189958.db2.gz SXZINVPYOQXXRA-SNVBAGLBSA-N 0 0 306.453 0.764 10 0 DCAERN CCOC(=O)c1ccc(C(=O)N[C@H]2CCN(CC)C2=O)nc1C ZINC000619802618 397194902 /nfs/dbraw/zinc/19/49/02/397194902.db2.gz LFRUOQSTFHJTHN-ZDUSSCGKSA-N 0 0 319.361 0.917 10 0 DCAERN CCN1CC[C@@H](NC(=O)c2cccc(C[S@@](C)=O)c2)C1=O ZINC000619825127 397197600 /nfs/dbraw/zinc/19/76/00/397197600.db2.gz IBLUAIMXASGDIT-LRTDBIEQSA-N 0 0 308.403 0.916 10 0 DCAERN CCOc1ccc(NC(=O)N2C[C@@H](CO)[C@H](CO)C2)nc1C ZINC000626617476 397207366 /nfs/dbraw/zinc/20/73/66/397207366.db2.gz PVONOXXBEVEBSY-RYUDHWBXSA-N 0 0 309.366 0.853 10 0 DCAERN CCOC(=O)c1csc(CN2C[C@H](OC)C[C@H]2CO)n1 ZINC000381085129 397270706 /nfs/dbraw/zinc/27/07/06/397270706.db2.gz VTVQMWMIHDWJQM-VHSXEESVSA-N 0 0 300.380 0.901 10 0 DCAERN COC[C@@](C)(CO)NC(=O)CSCC(=O)N1CCCCC1 ZINC000613533725 397274889 /nfs/dbraw/zinc/27/48/89/397274889.db2.gz DQFXIHJDVIHUKQ-CQSZACIVSA-N 0 0 318.439 0.246 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)C(C)C ZINC000365404941 397276638 /nfs/dbraw/zinc/27/66/38/397276638.db2.gz RNUAYRXUIQISOK-NVXWUHKLSA-N 0 0 323.437 0.912 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)C(C)C ZINC000365404942 397277241 /nfs/dbraw/zinc/27/72/41/397277241.db2.gz RNUAYRXUIQISOK-RDJZCZTQSA-N 0 0 323.437 0.912 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000365436579 397280726 /nfs/dbraw/zinc/28/07/26/397280726.db2.gz JCIRVFHLRPYABG-WOPDTQHZSA-N 0 0 306.366 0.280 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000365777445 397316735 /nfs/dbraw/zinc/31/67/35/397316735.db2.gz FEAOBBFKHGREJL-VIFPVBQESA-N 0 0 300.384 0.297 10 0 DCAERN CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)N1CCC[C@H]1C ZINC000613718941 397307973 /nfs/dbraw/zinc/30/79/73/397307973.db2.gz IZDWKTGOWCLZFY-GHMZBOCLSA-N 0 0 308.400 0.225 10 0 DCAERN O=C1CC[C@H](NS(=O)(=O)Cc2ccccc2F)CCN1 ZINC000396645346 397310633 /nfs/dbraw/zinc/31/06/33/397310633.db2.gz JIFLFGLBTXRHNO-NSHDSACASA-N 0 0 300.355 0.914 10 0 DCAERN Cc1ncc(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)o1 ZINC000397973825 397313164 /nfs/dbraw/zinc/31/31/64/397313164.db2.gz COHSGKGDTUNFBA-SECBINFHSA-N 0 0 315.317 0.895 10 0 DCAERN C[C@H]1CN(C(=O)[C@]2(C)CCCNC2=O)CCN1CC(F)(F)F ZINC000365255628 397254600 /nfs/dbraw/zinc/25/46/00/397254600.db2.gz ABYNAHJTLRTFQV-GXFFZTMASA-N 0 0 321.343 0.998 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000407950551 397334149 /nfs/dbraw/zinc/33/41/49/397334149.db2.gz ALGXCTZTZMYTRP-CQSZACIVSA-N 0 0 322.453 0.982 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000407952561 397334842 /nfs/dbraw/zinc/33/48/42/397334842.db2.gz IGRRTGQFICNJKG-CYBMUJFWSA-N 0 0 307.394 0.374 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000407961958 397337740 /nfs/dbraw/zinc/33/77/40/397337740.db2.gz KYRQMILIOWGDEK-WUHRBBMRSA-N 0 0 313.398 0.082 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407966751 397339829 /nfs/dbraw/zinc/33/98/29/397339829.db2.gz OPOCBRQFDRSTMG-NEPJUHHUSA-N 0 0 316.423 0.279 10 0 DCAERN C[C@H](CC(=O)N1CC(=O)N(C)[C@@H](C)C1)NC(=O)C1CCCC1 ZINC000407971917 397342529 /nfs/dbraw/zinc/34/25/29/397342529.db2.gz RJGZBUJBSKKNDA-NEPJUHHUSA-N 0 0 309.410 0.761 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)CN1CCOCC1=O)[C@@H]2C ZINC000366152981 397344285 /nfs/dbraw/zinc/34/42/85/397344285.db2.gz UAXAAGCPAPUACE-LLVKDONJSA-N 0 0 321.381 0.164 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1ccc2ccccc2c1=O ZINC000366155114 397344707 /nfs/dbraw/zinc/34/47/07/397344707.db2.gz FUXBMQLOPLZXLQ-GFCCVEGCSA-N 0 0 313.357 0.739 10 0 DCAERN C[C@H]1OCCN(C(=O)c2ccc3c(c2)OCCCO3)[C@@H]1C(N)=O ZINC000408066268 397346429 /nfs/dbraw/zinc/34/64/29/397346429.db2.gz WQVVEUQIZNUSOZ-YGRLFVJLSA-N 0 0 320.345 0.563 10 0 DCAERN COc1cc(CC(=O)N2CC[C@H](N3CCCC3=O)C2)ccn1 ZINC000613919981 397347407 /nfs/dbraw/zinc/34/74/07/397347407.db2.gz NRGIQKDTNYMATF-ZDUSSCGKSA-N 0 0 303.362 0.856 10 0 DCAERN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000408301547 397352875 /nfs/dbraw/zinc/35/28/75/397352875.db2.gz BERNXNGWCSCNKC-WQJIUMKZSA-N 0 0 311.411 0.664 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408425985 397356807 /nfs/dbraw/zinc/35/68/07/397356807.db2.gz IINNYHQWQNVKAQ-ZDCRXTMVSA-N 0 0 319.427 0.117 10 0 DCAERN O=C(NC1(c2nnn[n-]2)CC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000577917228 397370387 /nfs/dbraw/zinc/37/03/87/397370387.db2.gz MMFNUXORNIHTMV-JTQLQIEISA-N 0 0 318.381 0.486 10 0 DCAERN O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404112584 397327459 /nfs/dbraw/zinc/32/74/59/397327459.db2.gz FBALCAFWSWEFCH-OLZOCXBDSA-N 0 0 300.355 0.577 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404169957 397328303 /nfs/dbraw/zinc/32/83/03/397328303.db2.gz VKJZZJAPFYFVQR-QWRGUYRKSA-N 0 0 301.368 0.043 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)CCN1CCO ZINC000369046159 397430964 /nfs/dbraw/zinc/43/09/64/397430964.db2.gz DNETZNWVCCMVHZ-QWHCGFSZSA-N 0 0 306.410 0.050 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](C)S(C)(=O)=O ZINC000369283433 397436401 /nfs/dbraw/zinc/43/64/01/397436401.db2.gz BRQYCNIUYXIMSO-RHYQMDGZSA-N 0 0 317.407 0.752 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)CN1C(=O)Cc2ccccc21 ZINC000614454631 397442050 /nfs/dbraw/zinc/44/20/50/397442050.db2.gz IJGGGVZUFUOZJM-CMPLNLGQSA-N 0 0 301.346 0.359 10 0 DCAERN Cn1ncc2c1C[C@H](C(=O)N1c3ccccc3C[C@H]1C(N)=O)CC2 ZINC000369872864 397445603 /nfs/dbraw/zinc/44/56/03/397445603.db2.gz JWRHKSXTHOCTLD-WBMJQRKESA-N 0 0 324.384 0.968 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)[C@@H](C)OC ZINC000466728218 397446029 /nfs/dbraw/zinc/44/60/29/397446029.db2.gz HQZUHQVZNIMGJK-HBNTYKKESA-N 0 0 308.400 0.272 10 0 DCAERN CS(=O)(=O)NCC1CCN(Cc2nnsc2Cl)CC1 ZINC000578150422 397397297 /nfs/dbraw/zinc/39/72/97/397397297.db2.gz KGFKFCJUDRIINS-UHFFFAOYSA-N 0 0 324.859 0.953 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)C1 ZINC000621578412 397400522 /nfs/dbraw/zinc/40/05/22/397400522.db2.gz OJMHYKHRKCCRBJ-HBNTYKKESA-N 0 0 323.315 0.562 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)CN2CCN(C3CC3)C2=O)C1 ZINC000614262426 397408893 /nfs/dbraw/zinc/40/88/93/397408893.db2.gz RYERDCZHCIJXAK-CYBMUJFWSA-N 0 0 322.409 0.261 10 0 DCAERN C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000428189556 397408989 /nfs/dbraw/zinc/40/89/89/397408989.db2.gz BQINDGVBKDXDHG-BFHYXJOUSA-N 0 0 305.378 0.780 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC1CCC1 ZINC000487345907 397470643 /nfs/dbraw/zinc/47/06/43/397470643.db2.gz ZOVJTFXEARTPOR-UWVGGRQHSA-N 0 0 320.411 0.162 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)n1cccn1 ZINC000488161871 397486323 /nfs/dbraw/zinc/48/63/23/397486323.db2.gz MTROJJCBJKVSEF-DCAQKATOSA-N 0 0 310.354 0.017 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21 ZINC000370682310 397514595 /nfs/dbraw/zinc/51/45/95/397514595.db2.gz FFPSYZVQQGFQPI-QWHCGFSZSA-N 0 0 304.350 0.332 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1nc2c(cnn2C)c(=O)[nH]1 ZINC000579905139 397596909 /nfs/dbraw/zinc/59/69/09/397596909.db2.gz YQDDCGZFDYGJTH-NGZCFLSTSA-N 0 0 317.349 0.847 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000120510730 292122292 /nfs/dbraw/zinc/12/22/92/292122292.db2.gz LFYZJKGQMZDAFA-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc2nccn2c1 ZINC000603883618 397624859 /nfs/dbraw/zinc/62/48/59/397624859.db2.gz GYAJEKQULRWOMJ-GFCCVEGCSA-N 0 0 310.379 0.847 10 0 DCAERN COCCN1C[C@@H](C(=O)Nc2ccc3nccn3c2)CC1=O ZINC000603885050 397625637 /nfs/dbraw/zinc/62/56/37/397625637.db2.gz OJENGEOYTYAJBA-NSHDSACASA-N 0 0 302.334 0.768 10 0 DCAERN CC(=O)N[C@H](C(=O)NCC1(O)Cc2ccccc2C1)C(C)C ZINC000606423851 397680764 /nfs/dbraw/zinc/68/07/64/397680764.db2.gz NJPPUKGSPRTORZ-HNNXBMFYSA-N 0 0 304.390 0.793 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000607084704 397695181 /nfs/dbraw/zinc/69/51/81/397695181.db2.gz LODCCSJEGJUWNJ-OLZOCXBDSA-N 0 0 313.423 0.972 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C[C@H]1C ZINC000607925453 397706983 /nfs/dbraw/zinc/70/69/83/397706983.db2.gz SKGRKVXKCLLUFY-VXGBXAGGSA-N 0 0 303.362 0.542 10 0 DCAERN CCOC(=O)C1(C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000610426837 397820155 /nfs/dbraw/zinc/82/01/55/397820155.db2.gz ZHHCKTQVXABZFY-UHFFFAOYSA-N 0 0 320.393 0.408 10 0 DCAERN COCC(=O)NC1CN(C(=O)[C@](C)(O)[C@@H](C)c2ccccc2)C1 ZINC000189199650 292180296 /nfs/dbraw/zinc/18/02/96/292180296.db2.gz JFZCKUZUABHJPK-YVEFUNNKSA-N 0 0 320.389 0.515 10 0 DCAERN CCOCCS(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000173897141 286117371 /nfs/dbraw/zinc/11/73/71/286117371.db2.gz RRDMZRXQVXAZNZ-AWEZNQCLSA-N 0 0 320.455 0.539 10 0 DCAERN CCOCCS(=O)(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000184304445 286121121 /nfs/dbraw/zinc/12/11/21/286121121.db2.gz XGZWOJDIBLKGOK-SFHVURJKSA-N 0 0 311.469 0.976 10 0 DCAERN NC(=O)NCC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000029258009 157983693 /nfs/dbraw/zinc/98/36/93/157983693.db2.gz VFKNITRGOIJGHT-UHFFFAOYSA-N 0 0 304.350 0.710 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCCN1CCCC1=O ZINC000045819852 157998998 /nfs/dbraw/zinc/99/89/98/157998998.db2.gz MZLWMONXTFGERE-UHFFFAOYSA-N 0 0 317.389 0.854 10 0 DCAERN CC(=O)N(C)CC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000046331915 158001674 /nfs/dbraw/zinc/00/16/74/158001674.db2.gz VEYRKDQZYGCPGP-UHFFFAOYSA-N 0 0 307.350 0.479 10 0 DCAERN NC(=O)NCC(=O)NCc1cccnc1OCC(F)(F)F ZINC000047687453 158003979 /nfs/dbraw/zinc/00/39/79/158003979.db2.gz RSTNAPDXASHAFY-UHFFFAOYSA-N 0 0 306.244 0.307 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)NC(C)(C)C ZINC000049443200 158010471 /nfs/dbraw/zinc/01/04/71/158010471.db2.gz MXZFRIXHSJNFSP-QWRGUYRKSA-N 0 0 305.444 0.856 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1cscn1 ZINC000050405145 158011828 /nfs/dbraw/zinc/01/18/28/158011828.db2.gz GNGYWZKYHBMOMB-UHFFFAOYSA-N 0 0 316.342 0.463 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCc2nccs2)C[C@H](C)O1 ZINC000051163038 158013706 /nfs/dbraw/zinc/01/37/06/158013706.db2.gz JVLZDTYXQGRXGF-UWVGGRQHSA-N 0 0 305.425 0.629 10 0 DCAERN CN(C)C(=O)CNC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000057336133 158025059 /nfs/dbraw/zinc/02/50/59/158025059.db2.gz AKDYCBMSMVPPAH-GFCCVEGCSA-N 0 0 304.394 0.998 10 0 DCAERN CN(C)C(=O)CNC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000057336135 158025287 /nfs/dbraw/zinc/02/52/87/158025287.db2.gz AKDYCBMSMVPPAH-LBPRGKRZSA-N 0 0 304.394 0.998 10 0 DCAERN CCCC(=O)NCC(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000058899506 158026300 /nfs/dbraw/zinc/02/63/00/158026300.db2.gz YNGXDNOLEWWLKZ-UHFFFAOYSA-N 0 0 302.338 0.826 10 0 DCAERN COC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000061531929 158028815 /nfs/dbraw/zinc/02/88/15/158028815.db2.gz XMDPGSLEKIMIDI-GFCCVEGCSA-N 0 0 304.346 0.979 10 0 DCAERN Cc1n[nH]c(C)c1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000063838139 158032585 /nfs/dbraw/zinc/03/25/85/158032585.db2.gz IJTUXYLTXSFCRN-UHFFFAOYSA-N 0 0 313.317 0.668 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)CCN2CCOCC2)C1 ZINC000066104073 158034457 /nfs/dbraw/zinc/03/44/57/158034457.db2.gz NTMWLRMJDYBFFR-CYBMUJFWSA-N 0 0 305.444 0.227 10 0 DCAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)CC2)cc1 ZINC000065902146 158034700 /nfs/dbraw/zinc/03/47/00/158034700.db2.gz XSPYVHHPVQUAOI-UHFFFAOYSA-N 0 0 324.402 0.831 10 0 DCAERN COCCc1noc(CNc2cc(-n3cnnn3)ccc2F)n1 ZINC000066469579 158036586 /nfs/dbraw/zinc/03/65/86/158036586.db2.gz RYIYFFKPYQTXCJ-UHFFFAOYSA-N 0 0 319.300 0.985 10 0 DCAERN O=c1cc(NC[C@@H]2CN(C3CC3)CCO2)nc2ccccn12 ZINC000066745826 158037821 /nfs/dbraw/zinc/03/78/21/158037821.db2.gz AAEFDAYKSDMAFG-CYBMUJFWSA-N 0 0 300.362 0.970 10 0 DCAERN CN1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000067980930 158040983 /nfs/dbraw/zinc/04/09/83/158040983.db2.gz UUGUGNQBNMLMEL-UHFFFAOYSA-N 0 0 300.362 0.561 10 0 DCAERN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCNC(=O)CC1 ZINC000068258131 158041617 /nfs/dbraw/zinc/04/16/17/158041617.db2.gz FNMPUPFVMPKLHA-ZDUSSCGKSA-N 0 0 305.309 0.667 10 0 DCAERN CN1C[C@@H](C(=O)N2CCN(c3ncccc3Cl)CC2)CC1=O ZINC000068115312 158042537 /nfs/dbraw/zinc/04/25/37/158042537.db2.gz LWCHCEPFBCIKHK-NSHDSACASA-N 0 0 322.796 0.862 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000073634877 158055993 /nfs/dbraw/zinc/05/59/93/158055993.db2.gz PGYPXXWKCUCFKA-UHFFFAOYSA-N 0 0 305.444 0.763 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000074683420 158059306 /nfs/dbraw/zinc/05/93/06/158059306.db2.gz YDJMKXOKSRAZDX-ZDUSSCGKSA-N 0 0 324.402 0.733 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000074733099 158059371 /nfs/dbraw/zinc/05/93/71/158059371.db2.gz POHOPZVYBVICES-UHFFFAOYSA-N 0 0 303.318 0.322 10 0 DCAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365977 158067749 /nfs/dbraw/zinc/06/77/49/158067749.db2.gz YOTZNDKRHNYWHO-BETUJISGSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@H](NC(=O)N1CCNC(=O)CC1)C(=O)N1CCCC[C@H]1C ZINC000077619238 158068652 /nfs/dbraw/zinc/06/86/52/158068652.db2.gz MKKXUXMZQNJQIT-NEPJUHHUSA-N 0 0 310.398 0.307 10 0 DCAERN COc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000078883517 158075162 /nfs/dbraw/zinc/07/51/62/158075162.db2.gz ACIWTAGFUSYVID-UHFFFAOYSA-N 0 0 321.358 0.668 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000079325729 158078020 /nfs/dbraw/zinc/07/80/20/158078020.db2.gz BIABCJJHZOJVRV-CYBMUJFWSA-N 0 0 310.398 0.309 10 0 DCAERN CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000081424722 158084707 /nfs/dbraw/zinc/08/47/07/158084707.db2.gz AJXHUGUQZRWODD-OLZOCXBDSA-N 0 0 320.455 0.978 10 0 DCAERN CCOCCNC(=O)CNc1cc(-n2cnnn2)ccc1F ZINC000084504212 158088031 /nfs/dbraw/zinc/08/80/31/158088031.db2.gz MFBRRSAULNJRDL-UHFFFAOYSA-N 0 0 308.317 0.366 10 0 DCAERN CCC(CC)c1cc(C(=O)N2CCN(C(=O)CO)CC2)on1 ZINC000089549147 158098802 /nfs/dbraw/zinc/09/88/02/158098802.db2.gz WERMWSHGTOVWQL-UHFFFAOYSA-N 0 0 309.366 0.855 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCc3nncn3C3CC3)cnc12 ZINC000091048684 158107051 /nfs/dbraw/zinc/10/70/51/158107051.db2.gz KOZQUVUPXPDIBB-UHFFFAOYSA-N 0 0 324.344 0.859 10 0 DCAERN COCCCOC1CN(C(=O)NCCCc2cnn(C)c2)C1 ZINC000091216965 158107505 /nfs/dbraw/zinc/10/75/05/158107505.db2.gz SERZNPCGZAXMNE-UHFFFAOYSA-N 0 0 310.398 0.800 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000091781052 158109297 /nfs/dbraw/zinc/10/92/97/158109297.db2.gz KVWTYPVRTPHLIO-CQSZACIVSA-N 0 0 314.345 0.128 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)N1CCOC[C@@H]1C(N)=O ZINC000091781782 158109464 /nfs/dbraw/zinc/10/94/64/158109464.db2.gz IMNIKULJKIMMEW-LLVKDONJSA-N 0 0 312.753 0.740 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(C)CCC2)C1 ZINC000092499987 158113582 /nfs/dbraw/zinc/11/35/82/158113582.db2.gz FKSGBGVGZPUQKB-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C2)nc1C ZINC000095019497 158124525 /nfs/dbraw/zinc/12/45/25/158124525.db2.gz ZUYCCLVJBKSHLE-SNVBAGLBSA-N 0 0 301.368 0.395 10 0 DCAERN OC[C@H]1CCCN(c2cc(N3CCN(C4CC4)CC3)ncn2)C1 ZINC000105788723 158130609 /nfs/dbraw/zinc/13/06/09/158130609.db2.gz ISHXPNVCRHWDBV-AWEZNQCLSA-N 0 0 317.437 0.970 10 0 DCAERN C[C@@H](C(=O)N(C)C)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917132 158132075 /nfs/dbraw/zinc/13/20/75/158132075.db2.gz VYIZLQDJMQZHMZ-LBPRGKRZSA-N 0 0 321.425 0.931 10 0 DCAERN CC[C@H](C)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000109896733 158138638 /nfs/dbraw/zinc/13/86/38/158138638.db2.gz USMYAAADAMERTK-KBPBESRZSA-N 0 0 311.426 0.424 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110956113 158138864 /nfs/dbraw/zinc/13/88/64/158138864.db2.gz PBEZDXHWKDEONL-LSDHHAIUSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112725404 158144169 /nfs/dbraw/zinc/14/41/69/158144169.db2.gz CQWJGBYPPRMUQH-LBPRGKRZSA-N 0 0 313.361 0.448 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112650239 158144284 /nfs/dbraw/zinc/14/42/84/158144284.db2.gz RFGNPAQPKYUMPF-VXGBXAGGSA-N 0 0 305.382 0.356 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000114407698 158152580 /nfs/dbraw/zinc/15/25/80/158152580.db2.gz JIRDFMDNRXODPF-CMPLNLGQSA-N 0 0 308.407 0.695 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C ZINC000114411436 158153179 /nfs/dbraw/zinc/15/31/79/158153179.db2.gz WDGKNIUXICDLME-UWVGGRQHSA-N 0 0 318.333 0.065 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CCC(n3cncn3)CC2)C1=O ZINC000114838027 158157444 /nfs/dbraw/zinc/15/74/44/158157444.db2.gz LXNXUIHWSLPAQS-CYBMUJFWSA-N 0 0 320.397 0.634 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(C)nn(C)c1C)CC2 ZINC000114863112 158157669 /nfs/dbraw/zinc/15/76/69/158157669.db2.gz QESOLAOVDTTWRX-NSHDSACASA-N 0 0 302.382 0.936 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)C(=O)NC3CC3)C2)c1 ZINC000115357118 158161772 /nfs/dbraw/zinc/16/17/72/158161772.db2.gz DECQRJYRJXSLCI-GFCCVEGCSA-N 0 0 317.389 0.916 10 0 DCAERN COc1cc(F)ccc1N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000115586943 158162811 /nfs/dbraw/zinc/16/28/11/158162811.db2.gz DSWZPFQRYALFBX-UHFFFAOYSA-N 0 0 317.386 0.763 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116113494 158164736 /nfs/dbraw/zinc/16/47/36/158164736.db2.gz DCZNUVVXKXMAIM-AAEUAGOBSA-N 0 0 308.407 0.657 10 0 DCAERN Cc1ncsc1CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116955674 158168783 /nfs/dbraw/zinc/16/87/83/158168783.db2.gz MLMIESHVCPNEKS-VIFPVBQESA-N 0 0 318.424 0.285 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOCC)C[C@H]1CC ZINC000116898894 158168914 /nfs/dbraw/zinc/16/89/14/158168914.db2.gz LZQALLNPUTZKBZ-CQSZACIVSA-N 0 0 322.471 0.785 10 0 DCAERN C[C@H]1CCCCN1C(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116994991 158169012 /nfs/dbraw/zinc/16/90/12/158169012.db2.gz VLXMTKDZDPZSJK-RYUDHWBXSA-N 0 0 303.428 0.011 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C ZINC000117278309 158169935 /nfs/dbraw/zinc/16/99/35/158169935.db2.gz PVKWNNVLNAIXGH-GFCCVEGCSA-N 0 0 320.393 0.363 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117295259 158169956 /nfs/dbraw/zinc/16/99/56/158169956.db2.gz FSHGLNVLUNKDNC-CQSZACIVSA-N 0 0 313.442 0.862 10 0 DCAERN CCOCCN1CCN(C(=O)CCc2nc(C)no2)C[C@H]1C ZINC000117278852 158170398 /nfs/dbraw/zinc/17/03/98/158170398.db2.gz KTYFBPHYCZEJOA-GFCCVEGCSA-N 0 0 310.398 0.880 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)COC[C@H]1CCOC1)CC2 ZINC000117806549 158173049 /nfs/dbraw/zinc/17/30/49/158173049.db2.gz YZSJNXJWEFGEPH-RYUDHWBXSA-N 0 0 308.382 0.325 10 0 DCAERN Cc1ccc(NC(=O)NCc2ccnn2C)cc1S(N)(=O)=O ZINC000118552582 158177717 /nfs/dbraw/zinc/17/77/17/158177717.db2.gz HREACNYIBRHLDO-UHFFFAOYSA-N 0 0 323.378 0.698 10 0 DCAERN CN(CCNC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccccc1 ZINC000118759914 158179380 /nfs/dbraw/zinc/17/93/80/158179380.db2.gz BGVDJGCBDRYQBC-UHFFFAOYSA-N 0 0 318.377 0.569 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000119170552 158184003 /nfs/dbraw/zinc/18/40/03/158184003.db2.gz VDDQJDUKDKADFY-GMXVVIOVSA-N 0 0 308.444 0.727 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)n(C)n1 ZINC000119490260 158186723 /nfs/dbraw/zinc/18/67/23/158186723.db2.gz IONLGDXOUGXLMX-UHFFFAOYSA-N 0 0 316.365 0.796 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCc1nccc(N)n1)C(C)C ZINC000120486474 158199093 /nfs/dbraw/zinc/19/90/93/158199093.db2.gz PPVMIFZATUATHQ-AWEZNQCLSA-N 0 0 307.398 0.862 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC000120868794 158204149 /nfs/dbraw/zinc/20/41/49/158204149.db2.gz KRUDXBBXUUOMLX-VHSXEESVSA-N 0 0 322.390 0.599 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000121027712 158207004 /nfs/dbraw/zinc/20/70/04/158207004.db2.gz HTRGNLLLSJFASW-ZDUSSCGKSA-N 0 0 320.393 0.061 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1ncnc2oc(C)c(C)c21 ZINC000121323765 158208847 /nfs/dbraw/zinc/20/88/47/158208847.db2.gz DHKZWZVBPQPIMY-UHFFFAOYSA-N 0 0 306.322 0.883 10 0 DCAERN COCCN1[C@@H](C)CN(C(=O)C2=NN(C)C(=O)CC2)C[C@@H]1C ZINC000121558890 158211230 /nfs/dbraw/zinc/21/12/30/158211230.db2.gz UHTFGPHAXZNELB-RYUDHWBXSA-N 0 0 310.398 0.162 10 0 DCAERN O=C(Nc1nc[nH]n1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000122536547 158222163 /nfs/dbraw/zinc/22/21/63/158222163.db2.gz KBWCGWZCWUKUGS-SNVBAGLBSA-N 0 0 301.306 0.754 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CCc1ccnn1C ZINC000124398219 158241106 /nfs/dbraw/zinc/24/11/06/158241106.db2.gz UCGGILZNJJKMSX-LLVKDONJSA-N 0 0 301.412 0.634 10 0 DCAERN CC[C@@H]1CN(C(=O)NCC(=O)NC(C)C)CCN1CC(F)F ZINC000124499661 158242546 /nfs/dbraw/zinc/24/25/46/158242546.db2.gz PTHJXEYITFBFLR-LLVKDONJSA-N 0 0 320.384 0.882 10 0 DCAERN C[C@@H]1CN(C[C@H](O)CN2CCOCC2)c2ccccc2NC1=O ZINC000126608447 158266115 /nfs/dbraw/zinc/26/61/15/158266115.db2.gz UBKZTAFMTWTEOU-ZIAGYGMSSA-N 0 0 319.405 0.774 10 0 DCAERN CS(=O)(=O)NCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000126891473 158269044 /nfs/dbraw/zinc/26/90/44/158269044.db2.gz IOWXIVNEQZQBHQ-ZDUSSCGKSA-N 0 0 300.380 0.315 10 0 DCAERN CN(C)C(=O)CC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000127128653 158270552 /nfs/dbraw/zinc/27/05/52/158270552.db2.gz RZRVNJNQCWIUMJ-UHFFFAOYSA-N 0 0 316.155 0.565 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@@H](O)c2ccc(F)cc2)CCC1=O ZINC000128556106 158281547 /nfs/dbraw/zinc/28/15/47/158281547.db2.gz NNIKOZRNEKXXGT-CHWSQXEVSA-N 0 0 309.341 0.779 10 0 DCAERN Cn1ccnc(NC(=O)[C@@H]2CCCN2c2nccs2)c1=O ZINC000129372737 158288539 /nfs/dbraw/zinc/28/85/39/158288539.db2.gz FAUJIBBEXSUNHU-VIFPVBQESA-N 0 0 305.363 0.844 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000130024866 158293123 /nfs/dbraw/zinc/29/31/23/158293123.db2.gz IXBYSMODAJRLDO-SRVKXCTJSA-N 0 0 306.362 0.934 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000130025293 158293653 /nfs/dbraw/zinc/29/36/53/158293653.db2.gz IXBYSMODAJRLDO-TUAOUCFPSA-N 0 0 306.362 0.934 10 0 DCAERN CCc1cc(C)c(C(=O)NC[C@@](C)(O)CN2CCOCC2)o1 ZINC000130452819 158295031 /nfs/dbraw/zinc/29/50/31/158295031.db2.gz OWYIACSQWHGYKV-MRXNPFEDSA-N 0 0 310.394 0.963 10 0 DCAERN COCCN1C[C@H](C(=O)NCc2nccn2CC(C)C)CC1=O ZINC000131494163 158303088 /nfs/dbraw/zinc/30/30/88/158303088.db2.gz SZLNTZVAXLHDME-CYBMUJFWSA-N 0 0 322.409 0.650 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000132261415 158309608 /nfs/dbraw/zinc/30/96/08/158309608.db2.gz WUQGOLUSORTFIF-QWRGUYRKSA-N 0 0 324.402 0.864 10 0 DCAERN Cc1nc(CCNC(=O)NC[C@@H]2CN(C)CCO2)sc1C ZINC000132421552 158310203 /nfs/dbraw/zinc/31/02/03/158310203.db2.gz XPRNAGKEUAEDLY-GFCCVEGCSA-N 0 0 312.439 0.932 10 0 DCAERN Cc1c(C(=O)NC(CO)CO)cnn1-c1ccccc1Cl ZINC000132368757 158310688 /nfs/dbraw/zinc/31/06/88/158310688.db2.gz PLJWRZSSJVWCAK-UHFFFAOYSA-N 0 0 309.753 0.917 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)Cn1cc(Br)ccc1=O ZINC000133546616 158320940 /nfs/dbraw/zinc/32/09/40/158320940.db2.gz PUZOTUCCNJGPAU-IUCAKERBSA-N 0 0 317.183 0.744 10 0 DCAERN CC(C)[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)C(N)=O ZINC000134658951 158328706 /nfs/dbraw/zinc/32/87/06/158328706.db2.gz ALQFHRZXQVMEBV-LBPRGKRZSA-N 0 0 320.397 0.255 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000135098938 158333950 /nfs/dbraw/zinc/33/39/50/158333950.db2.gz XCHLAWDJMHDAAT-CABZTGNLSA-N 0 0 323.315 0.706 10 0 DCAERN C[C@@H](CN1CCC(N2CCCNC2=O)CC1)CS(C)(=O)=O ZINC000135424972 158335910 /nfs/dbraw/zinc/33/59/10/158335910.db2.gz OJCDYBOAFJFCBG-LBPRGKRZSA-N 0 0 317.455 0.547 10 0 DCAERN C[C@H](CN1CCC(N2CCCNC2=O)CC1)CS(C)(=O)=O ZINC000135424990 158336230 /nfs/dbraw/zinc/33/62/30/158336230.db2.gz OJCDYBOAFJFCBG-GFCCVEGCSA-N 0 0 317.455 0.547 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135367828 158336567 /nfs/dbraw/zinc/33/65/67/158336567.db2.gz USGXVJNTTTVFPY-GXSJLCMTSA-N 0 0 323.422 0.713 10 0 DCAERN CC(C)OC(=O)CCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135728926 158339703 /nfs/dbraw/zinc/33/97/03/158339703.db2.gz JIAXZYMPQXBQAW-CYBMUJFWSA-N 0 0 318.439 0.828 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000135792168 158340064 /nfs/dbraw/zinc/34/00/64/158340064.db2.gz ABWUKCGWUWDVKM-AAEUAGOBSA-N 0 0 310.398 0.307 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CC[S@](C)=O)C2)n1 ZINC000160439397 158354021 /nfs/dbraw/zinc/35/40/21/158354021.db2.gz SAAXRODYPTVBDM-YEJXKQKISA-N 0 0 312.439 0.902 10 0 DCAERN COCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000169907414 158373736 /nfs/dbraw/zinc/37/37/36/158373736.db2.gz BJYBEVDSHGGLHD-UHFFFAOYSA-N 0 0 318.420 0.618 10 0 DCAERN O=C(NCCCO)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000170579052 158374545 /nfs/dbraw/zinc/37/45/45/158374545.db2.gz PGXDOCKPEFGJOX-JTQLQIEISA-N 0 0 306.318 0.267 10 0 DCAERN c1ccc(-n2nnnc2N2CCN(c3cccnn3)CC2)cc1 ZINC000170641103 158374786 /nfs/dbraw/zinc/37/47/86/158374786.db2.gz TZNHGUWRIFHCLX-UHFFFAOYSA-N 0 0 308.349 0.779 10 0 DCAERN C[C@H]1C[C@H](C)CN(C(=O)C(=O)NCCCN2CCCC2=O)C1 ZINC000170315939 158374903 /nfs/dbraw/zinc/37/49/03/158374903.db2.gz HKSFKPKCXNDDFB-STQMWFEESA-N 0 0 309.410 0.620 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCS(=O)CC2)cc1 ZINC000170894517 158378056 /nfs/dbraw/zinc/37/80/56/158378056.db2.gz OAGWLOOLPRUPAM-UHFFFAOYSA-N 0 0 310.375 0.016 10 0 DCAERN COC(=O)NCCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000170966492 158378235 /nfs/dbraw/zinc/37/82/35/158378235.db2.gz ZEEWUSZCKLTHJK-SNVBAGLBSA-N 0 0 309.370 0.579 10 0 DCAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCNC(=O)CC1 ZINC000171590878 158384708 /nfs/dbraw/zinc/38/47/08/158384708.db2.gz ODDMVHOTSKBRKS-LBPRGKRZSA-N 0 0 316.361 0.644 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCOC1 ZINC000171690800 158385641 /nfs/dbraw/zinc/38/56/41/158385641.db2.gz JJULPNXIGYUUIN-NEPJUHHUSA-N 0 0 304.412 0.486 10 0 DCAERN COc1cc(CNC(=O)N[C@H]2CCc3ncnn3C2)ccc1O ZINC000171867186 158387462 /nfs/dbraw/zinc/38/74/62/158387462.db2.gz SOOMVFHJDYRHOB-NSHDSACASA-N 0 0 317.349 0.807 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1)n1cncn1 ZINC000171919422 158388867 /nfs/dbraw/zinc/38/88/67/158388867.db2.gz OVBYIMUPQBLZRE-VHSXEESVSA-N 0 0 320.378 0.925 10 0 DCAERN C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)C2O)N1CCOCC1 ZINC000172121248 158390991 /nfs/dbraw/zinc/39/09/91/158390991.db2.gz SYSOQKIMLZSTSP-RDGKXADDSA-N 0 0 311.426 0.510 10 0 DCAERN C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)C1CCCC1 ZINC000172185663 158391324 /nfs/dbraw/zinc/39/13/24/158391324.db2.gz ARDGHMBWISJARA-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(-n2cncn2)c1 ZINC000172223037 158392275 /nfs/dbraw/zinc/39/22/75/158392275.db2.gz YCYWWVZSWIMBOB-JTQLQIEISA-N 0 0 308.363 0.430 10 0 DCAERN COCCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1=O ZINC000172359194 158393806 /nfs/dbraw/zinc/39/38/06/158393806.db2.gz HKPQPMRSVMUNNZ-WORDMNGFSA-N 0 0 310.394 0.101 10 0 DCAERN CCOC(=O)NCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000172419221 158393995 /nfs/dbraw/zinc/39/39/95/158393995.db2.gz AGPWNMIJSMTTFB-JTQLQIEISA-N 0 0 309.370 0.579 10 0 DCAERN CN1CCN(C(=O)NCc2cccnc2-n2cccn2)CC1=O ZINC000172601704 158396279 /nfs/dbraw/zinc/39/62/79/158396279.db2.gz NNWQLZOBUMVISC-UHFFFAOYSA-N 0 0 314.349 0.251 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000172650113 158397585 /nfs/dbraw/zinc/39/75/85/158397585.db2.gz LUQUVPLAFLWHSL-CABZTGNLSA-N 0 0 307.325 0.925 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172751925 158398569 /nfs/dbraw/zinc/39/85/69/158398569.db2.gz UUPLKDPVVWODAB-HNNXBMFYSA-N 0 0 317.389 0.350 10 0 DCAERN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750911 158398622 /nfs/dbraw/zinc/39/86/22/158398622.db2.gz DSTYVQMAWLOKOZ-OAHLLOKOSA-N 0 0 320.437 0.903 10 0 DCAERN CC(C)CC(=O)NCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745779 158398930 /nfs/dbraw/zinc/39/89/30/158398930.db2.gz UYPXZEDTHSFZGE-CQSZACIVSA-N 0 0 311.426 0.472 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)NCc1ccc(F)cc1 ZINC000173130193 158403904 /nfs/dbraw/zinc/40/39/04/158403904.db2.gz LKDWCAVWFLTKAH-ZYHUDNBSSA-N 0 0 321.352 0.554 10 0 DCAERN CCN(C)S(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000173510961 158406622 /nfs/dbraw/zinc/40/66/22/158406622.db2.gz IQQFDGIQPSDVMW-JTQLQIEISA-N 0 0 301.416 0.502 10 0 DCAERN CCCc1noc(CCCC(=O)N2CC(C(=O)NCC)C2)n1 ZINC000178132816 158454137 /nfs/dbraw/zinc/45/41/37/158454137.db2.gz GCTJOXYPJLMNKU-UHFFFAOYSA-N 0 0 308.382 0.939 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178686821 158461602 /nfs/dbraw/zinc/46/16/02/158461602.db2.gz VLBBXRGEMXZPRY-HIFRSBDPSA-N 0 0 311.403 0.832 10 0 DCAERN NC(=O)c1ccc(NCC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000179494313 158472752 /nfs/dbraw/zinc/47/27/52/158472752.db2.gz DBQDHQXRTJAPFV-CQSZACIVSA-N 0 0 303.362 0.835 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)[nH]c(=O)c1)CC2 ZINC000180414943 158478446 /nfs/dbraw/zinc/47/84/46/158478446.db2.gz XTJLERQYTWJJAH-LLVKDONJSA-N 0 0 301.350 0.994 10 0 DCAERN COCc1ccsc1C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000181202427 158484003 /nfs/dbraw/zinc/48/40/03/158484003.db2.gz SOKWRUQCTYSKMS-JTQLQIEISA-N 0 0 308.359 0.914 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCCOCCO ZINC000181609420 158487173 /nfs/dbraw/zinc/48/71/73/158487173.db2.gz PDNUHZKUMXQWGX-NSHDSACASA-N 0 0 312.414 0.666 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182551375 158492647 /nfs/dbraw/zinc/49/26/47/158492647.db2.gz HQERTVZOZYKESQ-WCQYABFASA-N 0 0 306.366 0.647 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCC[C@@H](O)C1 ZINC000182521008 158493275 /nfs/dbraw/zinc/49/32/75/158493275.db2.gz QSAUWYQEBUSTOM-ZIAGYGMSSA-N 0 0 318.377 0.743 10 0 DCAERN CNC(=O)[C@@H](NCC(=O)N1CC(=O)Nc2ccccc21)C(C)C ZINC000183680923 158501520 /nfs/dbraw/zinc/50/15/20/158501520.db2.gz JCONGQTYUJYOGI-HNNXBMFYSA-N 0 0 318.377 0.332 10 0 DCAERN CNC(=O)[C@H]1CN(CC(=O)Nc2ccc(N(C)C)cc2)CCO1 ZINC000184052169 158504119 /nfs/dbraw/zinc/50/41/19/158504119.db2.gz YIXCDXDVZJEEPX-CQSZACIVSA-N 0 0 320.393 0.138 10 0 DCAERN O=C(NCC1(CO)COC1)Nc1ncn(C2CCCCC2)n1 ZINC000184557590 158509620 /nfs/dbraw/zinc/50/96/20/158509620.db2.gz AHRKBFRIYAOFKJ-UHFFFAOYSA-N 0 0 309.370 0.914 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000185342100 158518488 /nfs/dbraw/zinc/51/84/88/158518488.db2.gz PBZLEMPHDZONMC-NEPJUHHUSA-N 0 0 320.480 0.773 10 0 DCAERN CC(C)(C)N1C[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)CC1=O ZINC000187452661 158539767 /nfs/dbraw/zinc/53/97/67/158539767.db2.gz WXUMCGCKCCORAP-NSHDSACASA-N 0 0 322.409 0.306 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC000189609912 158553456 /nfs/dbraw/zinc/55/34/56/158553456.db2.gz SBFCCDKSJFHFNC-UWVGGRQHSA-N 0 0 300.380 0.948 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000190746268 158562800 /nfs/dbraw/zinc/56/28/00/158562800.db2.gz LLIUZLWVDRYIOR-OCCSQVGLSA-N 0 0 304.350 0.021 10 0 DCAERN CCN1CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1=O ZINC000191554390 158569082 /nfs/dbraw/zinc/56/90/82/158569082.db2.gz FRPZZTIXLOMYCC-UHFFFAOYSA-N 0 0 318.377 0.449 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000191760386 158570746 /nfs/dbraw/zinc/57/07/46/158570746.db2.gz ZGXPDKOCBYQJCR-BXUZGUMPSA-N 0 0 301.346 0.917 10 0 DCAERN CCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193503501 158584659 /nfs/dbraw/zinc/58/46/59/158584659.db2.gz BVCSTHHPHCIYEP-HUUCEWRRSA-N 0 0 320.389 0.992 10 0 DCAERN COCCN1C[C@H](C(=O)N[C@@H]2COc3ccccc32)CC1=O ZINC000194876017 158601550 /nfs/dbraw/zinc/60/15/50/158601550.db2.gz KUJZCADGXQGXCT-DGCLKSJQSA-N 0 0 304.346 0.731 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N2CCCNC(=O)[C@H]2C)CC1=O ZINC000249060029 158702253 /nfs/dbraw/zinc/70/22/53/158702253.db2.gz PNIDBDURZRRQIW-XQQFMLRXSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H]1CC(F)(F)CN1 ZINC000263311356 158871352 /nfs/dbraw/zinc/87/13/52/158871352.db2.gz YSRVALJLSMPBJN-WDEREUQCSA-N 0 0 311.336 0.559 10 0 DCAERN Cc1nnc([C@H]2CCCCN2C[C@@H](O)CN2CCOCC2)[nH]1 ZINC000328636539 159016453 /nfs/dbraw/zinc/01/64/53/159016453.db2.gz CLWJPDYOMJERCT-UONOGXRCSA-N 0 0 309.414 0.333 10 0 DCAERN CN(C)C(=O)COC1CN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328687679 159021340 /nfs/dbraw/zinc/02/13/40/159021340.db2.gz ZHOXWNJOUKNDEC-LLVKDONJSA-N 0 0 311.382 0.591 10 0 DCAERN CCN(Cc1cn(C)nn1)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000328769986 159028086 /nfs/dbraw/zinc/02/80/86/159028086.db2.gz GNUDQVVVYWRMJP-NSHDSACASA-N 0 0 302.382 0.702 10 0 DCAERN CN(C(=O)N1CCO[C@@H](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000328879098 159036878 /nfs/dbraw/zinc/03/68/78/159036878.db2.gz LGFAIWHVNGARNR-VXGBXAGGSA-N 0 0 302.396 0.336 10 0 DCAERN C[C@H]1CN(C(=O)C[C@H]2CCCCNC2=O)CCS1(=O)=O ZINC000328876349 159037310 /nfs/dbraw/zinc/03/73/10/159037310.db2.gz SLQUUNXXGLOHHF-WDEREUQCSA-N 0 0 302.396 0.779 10 0 DCAERN O=S(=O)(C[C@H]1CCOC1)N1CCC[C@H]1Cn1ccnn1 ZINC000328907828 159040060 /nfs/dbraw/zinc/04/00/60/159040060.db2.gz CKLCUIMJTWFOSV-RYUDHWBXSA-N 0 0 300.384 0.109 10 0 DCAERN O=C([C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1Cn1ccnn1 ZINC000328917979 159041066 /nfs/dbraw/zinc/04/10/66/159041066.db2.gz ADJLZRVEFUMNFS-YPMHNXCESA-N 0 0 300.366 0.797 10 0 DCAERN CN(C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000328937570 159044312 /nfs/dbraw/zinc/04/43/12/159044312.db2.gz RHGNUGQDJOQVLZ-HNNXBMFYSA-N 0 0 323.397 0.336 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)Nc2ccnn2C[C@H]2CCOC2)N(C)C1 ZINC000328968135 159047900 /nfs/dbraw/zinc/04/79/00/159047900.db2.gz UALVNDJAJISBJA-AGIUHOORSA-N 0 0 308.382 0.577 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)Nc2cc([C@H]3CCCO3)nn2C)C1 ZINC000329115074 159063138 /nfs/dbraw/zinc/06/31/38/159063138.db2.gz IAGKXCZHFWHVJQ-DMDPSCGWSA-N 0 0 324.381 0.885 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329163293 159068633 /nfs/dbraw/zinc/06/86/33/159068633.db2.gz GFEIYQOLLUNSII-RBZJEDDUSA-N 0 0 324.421 0.510 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000329164295 159069748 /nfs/dbraw/zinc/06/97/48/159069748.db2.gz GWSACKVEYHUISE-SNVBAGLBSA-N 0 0 322.398 0.148 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000329198126 159072688 /nfs/dbraw/zinc/07/26/88/159072688.db2.gz AHQZVGXFQANQEU-SOUVJXGZSA-N 0 0 310.394 0.243 10 0 DCAERN C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329231498 159075126 /nfs/dbraw/zinc/07/51/26/159075126.db2.gz KSHCSRUBRJJODA-MJBXVCDLSA-N 0 0 310.394 0.651 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCO[C@H]3CCCC[C@@H]32)O1 ZINC000329248103 159076798 /nfs/dbraw/zinc/07/67/98/159076798.db2.gz SHLDDFINNSXBCC-FQUUOJAGSA-N 0 0 310.394 0.792 10 0 DCAERN COc1cccc(CC(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)n1 ZINC000329280785 159079051 /nfs/dbraw/zinc/07/90/51/159079051.db2.gz DTHKXAVPZBQANB-VXGBXAGGSA-N 0 0 318.333 0.659 10 0 DCAERN CN(C(=O)[C@@H]1CCCN1C(=O)C1CCCC1)[C@@H]1COC[C@H]1O ZINC000329377624 159086988 /nfs/dbraw/zinc/08/69/88/159086988.db2.gz MGHWHUFTTDQJLA-BFHYXJOUSA-N 0 0 310.394 0.386 10 0 DCAERN O=C1NC(=O)[C@]2(CCCN(S(=O)(=O)NC3CCCC3)C2)N1 ZINC000329416662 159090901 /nfs/dbraw/zinc/09/09/01/159090901.db2.gz GFKREACSDNVKJY-GFCCVEGCSA-N 0 0 316.383 0.482 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)CCS1(=O)=O ZINC000329444847 159093673 /nfs/dbraw/zinc/09/36/73/159093673.db2.gz NSEYOKVCUBJUFJ-LLVKDONJSA-N 0 0 324.406 0.336 10 0 DCAERN CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccnc2)CC1 ZINC000329517829 159098642 /nfs/dbraw/zinc/09/86/42/159098642.db2.gz ZGORBZRPZZGEHA-OAHLLOKOSA-N 0 0 316.405 0.389 10 0 DCAERN CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000329518070 159099002 /nfs/dbraw/zinc/09/90/02/159099002.db2.gz PNYLPOQNPLIXRF-MJBXVCDLSA-N 0 0 319.471 0.662 10 0 DCAERN c1ncn2c1C[C@@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329592989 159105879 /nfs/dbraw/zinc/10/58/79/159105879.db2.gz CBCAFPXOLNCRBM-AAEUAGOBSA-N 0 0 300.366 0.668 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000329596749 159105911 /nfs/dbraw/zinc/10/59/11/159105911.db2.gz PGRKITHQCZREIS-CHWSQXEVSA-N 0 0 320.455 0.584 10 0 DCAERN CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)CCCO1 ZINC000329618905 159107421 /nfs/dbraw/zinc/10/74/21/159107421.db2.gz FCECVBDBNBRVDZ-HZSPNIEDSA-N 0 0 312.410 0.896 10 0 DCAERN CCn1cnc2c(c1=O)CCN(C(=O)[C@@](C)(OC)C1CC1)C2 ZINC000329634518 159108000 /nfs/dbraw/zinc/10/80/00/159108000.db2.gz TYOJIXBNEUOOOU-INIZCTEOSA-N 0 0 305.378 0.963 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cn(C)cn1)CC2 ZINC000329646029 159109298 /nfs/dbraw/zinc/10/92/98/159109298.db2.gz AXJCGUFCSGSCIP-JTQLQIEISA-N 0 0 324.410 0.428 10 0 DCAERN c1[nH]nc2c1C[C@@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329739020 159115686 /nfs/dbraw/zinc/11/56/86/159115686.db2.gz UQZAFZNYNWWUDH-GWCFXTLKSA-N 0 0 300.366 0.738 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCc2cncnc2C1 ZINC000329819985 159122123 /nfs/dbraw/zinc/12/21/23/159122123.db2.gz GIVOCLBVBJJUGP-UHFFFAOYSA-N 0 0 301.350 0.791 10 0 DCAERN C[C@H]1c2nncn2CCN1S(=O)(=O)NCc1ccccc1 ZINC000329851425 159123842 /nfs/dbraw/zinc/12/38/42/159123842.db2.gz QTLNRJLNCGDCQY-NSHDSACASA-N 0 0 307.379 0.689 10 0 DCAERN CCN1CCN(C[C@H](O)CN2CCCC2=O)C[C@@H]1c1ncc[nH]1 ZINC000329892297 159126682 /nfs/dbraw/zinc/12/66/82/159126682.db2.gz ADPDJXXQMPGKSY-UONOGXRCSA-N 0 0 321.425 0.072 10 0 DCAERN C[C@H](CC(=O)N1CCO[C@@H](c2ncon2)C1)N1CCCCC1=O ZINC000330018830 159136512 /nfs/dbraw/zinc/13/65/12/159136512.db2.gz UDRLLCAHRMPMAE-VXGBXAGGSA-N 0 0 322.365 0.761 10 0 DCAERN Cn1nncc1S(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330046518 159137769 /nfs/dbraw/zinc/13/77/69/159137769.db2.gz DYKVNAHYEJJNKS-ZYHUDNBSSA-N 0 0 300.384 0.131 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000330137824 159144809 /nfs/dbraw/zinc/14/48/09/159144809.db2.gz VDZISUKEXSDZSQ-AWEZNQCLSA-N 0 0 305.378 0.566 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(=O)N(CC)C2)cn1 ZINC000330151467 159145484 /nfs/dbraw/zinc/14/54/84/159145484.db2.gz LKVJWYJRDKMMAU-GXTWGEPZSA-N 0 0 306.366 0.629 10 0 DCAERN FC(F)Cn1ncnc1CN1CCN(Cc2ccon2)CC1 ZINC000330169082 159147103 /nfs/dbraw/zinc/14/71/03/159147103.db2.gz BECHGOWGGUFFAO-UHFFFAOYSA-N 0 0 312.324 0.849 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1C1CCN(c2ccccn2)CC1 ZINC000330280064 159156220 /nfs/dbraw/zinc/15/62/20/159156220.db2.gz RYMPSTRYIWCWSL-MRXNPFEDSA-N 0 0 316.361 0.966 10 0 DCAERN Cc1nccn1-c1cncc(N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC000330331639 159160805 /nfs/dbraw/zinc/16/08/05/159160805.db2.gz OGIHEXLCQTZOIL-NSHDSACASA-N 0 0 321.406 0.842 10 0 DCAERN O=S(=O)(CCC1CCOCC1)N1CC(n2ccnn2)C1 ZINC000330348697 159162062 /nfs/dbraw/zinc/16/20/62/159162062.db2.gz IZTAKOQJDKQRMT-UHFFFAOYSA-N 0 0 300.384 0.281 10 0 DCAERN O=C(COCC(F)(F)F)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000330562813 159193883 /nfs/dbraw/zinc/19/38/83/159193883.db2.gz JIHLDZBXKWATFK-MXWKQRLJSA-N 0 0 311.300 0.954 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@H](C)[C@H]1c1nc(C)no1 ZINC000330581787 159196207 /nfs/dbraw/zinc/19/62/07/159196207.db2.gz UJRVLMIHSUBCCF-KOLCDFICSA-N 0 0 318.399 0.079 10 0 DCAERN CC(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000332821639 159214468 /nfs/dbraw/zinc/21/44/68/159214468.db2.gz BEBMSPCNWGUJPC-KGLIPLIRSA-N 0 0 309.410 0.668 10 0 DCAERN C[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C2CC2)C1)N1CCOCC1 ZINC000332968095 159218032 /nfs/dbraw/zinc/21/80/32/159218032.db2.gz RQYIDXSDYZIPPR-GZBFAFLISA-N 0 0 311.426 0.916 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](C2CC2)C1 ZINC000332977676 159218165 /nfs/dbraw/zinc/21/81/65/159218165.db2.gz JDYMCGPIWGSBGN-SMDDNHRTSA-N 0 0 307.394 0.818 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)[C@@H]1CCCO1 ZINC000332991624 159218984 /nfs/dbraw/zinc/21/89/84/159218984.db2.gz JJONERFFCUNWBB-YODMDTAWSA-N 0 0 320.393 0.623 10 0 DCAERN CCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1noc(COCC)n1 ZINC000358479085 159255275 /nfs/dbraw/zinc/25/52/75/159255275.db2.gz OJUVBBFLJDZTLX-BDAKNGLRSA-N 0 0 313.358 0.491 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]32)n1 ZINC000359249030 159256176 /nfs/dbraw/zinc/25/61/76/159256176.db2.gz UYJRZDJWKKZRHL-AAEUAGOBSA-N 0 0 303.362 0.760 10 0 DCAERN COC(=O)C1(CNC(=O)NCc2ccn(C)n2)CCOCC1 ZINC000359274898 159260262 /nfs/dbraw/zinc/26/02/62/159260262.db2.gz FGJNHGQARLVHRT-UHFFFAOYSA-N 0 0 310.354 0.189 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@@H](CO)C2CC2)no1 ZINC000360427570 159269084 /nfs/dbraw/zinc/26/90/84/159269084.db2.gz IOXMOBIIVRLEES-ONGXEEELSA-N 0 0 312.370 0.985 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2nc(C)c(C)s2)C[C@H]1OC ZINC000362887085 159272891 /nfs/dbraw/zinc/27/28/91/159272891.db2.gz VBQLPGWTHDCWBE-NXEZZACHSA-N 0 0 306.409 0.794 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)O1 ZINC000366895293 159295607 /nfs/dbraw/zinc/29/56/07/159295607.db2.gz KCTLHXMMYIWMJO-PEBLQZBPSA-N 0 0 310.394 0.561 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000367162339 159318215 /nfs/dbraw/zinc/31/82/15/159318215.db2.gz ABNNKODTJJVIHD-ZYHUDNBSSA-N 0 0 324.343 0.869 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1cccs1 ZINC000367599119 159346342 /nfs/dbraw/zinc/34/63/42/159346342.db2.gz XPROUFZKLWZAJZ-HOSYDEDBSA-N 0 0 322.386 0.947 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCOCC[C@@H]2C)c(C)o1 ZINC000367645107 159348085 /nfs/dbraw/zinc/34/80/85/159348085.db2.gz MHVHVHXWTHFXEE-VIFPVBQESA-N 0 0 316.379 0.747 10 0 DCAERN C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000368201692 159381408 /nfs/dbraw/zinc/38/14/08/159381408.db2.gz MSPIHWYHAVWYIF-BZPMIXESSA-N 0 0 318.439 0.899 10 0 DCAERN Cc1ccnc(C2CCN(C(=O)CN3CCOCC3=O)CC2)n1 ZINC000369123892 159438588 /nfs/dbraw/zinc/43/85/88/159438588.db2.gz BSYYHGKWGXPLNX-UHFFFAOYSA-N 0 0 318.377 0.350 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000369543948 159464987 /nfs/dbraw/zinc/46/49/87/159464987.db2.gz OBEDDIRXCHRKTA-CQSZACIVSA-N 0 0 323.418 0.968 10 0 DCAERN CC1(C)OC(=O)c2c1ccnc2N1CCN(CCCO)CC1 ZINC000371208279 159551589 /nfs/dbraw/zinc/55/15/89/159551589.db2.gz ODGNJBMFXLSQPT-UHFFFAOYSA-N 0 0 305.378 0.992 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000371709517 159582264 /nfs/dbraw/zinc/58/22/64/159582264.db2.gz VTAVPUNJCQLAJN-STFLBKPXSA-N 0 0 324.402 0.833 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000372161137 159605924 /nfs/dbraw/zinc/60/59/24/159605924.db2.gz SZHHYCBPCWHXDM-NEPJUHHUSA-N 0 0 304.412 0.991 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN2CCOC[C@H]2C1 ZINC000374967393 159762809 /nfs/dbraw/zinc/76/28/09/159762809.db2.gz ZCOSPYGMSWWLPL-CYBMUJFWSA-N 0 0 306.362 0.617 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](C)c2nnc3n2CCCCC3)C1 ZINC000375495437 159796024 /nfs/dbraw/zinc/79/60/24/159796024.db2.gz KQXQVZVVVFICLS-SNVBAGLBSA-N 0 0 305.382 0.660 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376602904 159867211 /nfs/dbraw/zinc/86/72/11/159867211.db2.gz UQDLPOXRXMGYID-LBPRGKRZSA-N 0 0 312.414 0.542 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000378256719 159972659 /nfs/dbraw/zinc/97/26/59/159972659.db2.gz JNLGLRGNVQFSFY-CYBMUJFWSA-N 0 0 323.422 0.438 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCOCC[C@@H]2C)c1 ZINC000378426102 159981178 /nfs/dbraw/zinc/98/11/78/159981178.db2.gz HAFQBMFPWJBCHK-VIFPVBQESA-N 0 0 303.336 0.866 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000407970712 160000039 /nfs/dbraw/zinc/00/00/39/160000039.db2.gz LSMKIPKDMKHRQI-QWHCGFSZSA-N 0 0 309.410 0.714 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCS1 ZINC000407975281 160000733 /nfs/dbraw/zinc/00/07/33/160000733.db2.gz FYDVINZHZNAIDM-WDEREUQCSA-N 0 0 321.468 0.557 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CC(=O)N(C)[C@@H](C)C3)cnc2n1 ZINC000407974339 160000881 /nfs/dbraw/zinc/00/08/81/160000881.db2.gz SXUPZHUMLQRGQI-JTQLQIEISA-N 0 0 314.345 0.947 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000407981946 160002616 /nfs/dbraw/zinc/00/26/16/160002616.db2.gz WEUVWBGQVCPQBB-CYBMUJFWSA-N 0 0 308.378 0.451 10 0 DCAERN CC(C)(C)n1ncnc1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000407983587 160002652 /nfs/dbraw/zinc/00/26/52/160002652.db2.gz RCJCYNZTRSUSFT-SNVBAGLBSA-N 0 0 301.416 0.157 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)C3CC3)C2)C1 ZINC000407982362 160002869 /nfs/dbraw/zinc/00/28/69/160002869.db2.gz YCZCNRXZRLWBKS-AAEUAGOBSA-N 0 0 308.378 0.451 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000407986090 160003585 /nfs/dbraw/zinc/00/35/85/160003585.db2.gz RKTHNIMRTNMCSH-GFCCVEGCSA-N 0 0 307.398 0.893 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000407986092 160003943 /nfs/dbraw/zinc/00/39/43/160003943.db2.gz RKTHNIMRTNMCSH-LBPRGKRZSA-N 0 0 307.398 0.893 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCC(=O)NC2)C1 ZINC000407990676 160004661 /nfs/dbraw/zinc/00/46/61/160004661.db2.gz QANVELLLZOMYGE-AVGNSLFASA-N 0 0 309.410 0.666 10 0 DCAERN C[C@@H](C[C@@H]1CCCO1)NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000407990832 160004676 /nfs/dbraw/zinc/00/46/76/160004676.db2.gz MQUUNARHMLATQD-RYUDHWBXSA-N 0 0 319.427 0.231 10 0 DCAERN CN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407992778 160004955 /nfs/dbraw/zinc/00/49/55/160004955.db2.gz ULWGGJMBGIFKAK-RKDXNWHRSA-N 0 0 323.315 0.752 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000407994697 160006123 /nfs/dbraw/zinc/00/61/23/160006123.db2.gz CCDIMHCFHDFIMN-NILFDRSVSA-N 0 0 318.373 0.868 10 0 DCAERN CCc1noc(C)c1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000407993799 160006315 /nfs/dbraw/zinc/00/63/15/160006315.db2.gz UNAFTRAGFMBAPE-VIFPVBQESA-N 0 0 316.383 0.701 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000407998050 160006810 /nfs/dbraw/zinc/00/68/10/160006810.db2.gz QJGVBGPIYKRPLN-NSHDSACASA-N 0 0 321.343 0.998 10 0 DCAERN C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)C(=O)N1CCCC[C@@H]1C ZINC000408008793 160009579 /nfs/dbraw/zinc/00/95/79/160009579.db2.gz GDIOLQUEECVYIU-CYDGBPFRSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@]2(C)CO)[C@H](C)CO1 ZINC000408007400 160009617 /nfs/dbraw/zinc/00/96/17/160009617.db2.gz HWFLSIVUSQOBNE-FDYHWXHSSA-N 0 0 306.428 0.481 10 0 DCAERN CC1CCN(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000408016653 160012023 /nfs/dbraw/zinc/01/20/23/160012023.db2.gz MCCBOKDSINMZBZ-STQMWFEESA-N 0 0 322.471 0.711 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000408017541 160012029 /nfs/dbraw/zinc/01/20/29/160012029.db2.gz SSRYSPNLQMZXHG-JHJVBQTASA-N 0 0 322.471 0.711 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCC(=O)NC(C)(C)C)C[C@@H]21 ZINC000408016050 160012254 /nfs/dbraw/zinc/01/22/54/160012254.db2.gz HIHBBNGYAIKJIO-NWDGAFQWSA-N 0 0 312.414 0.016 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000408018188 160013079 /nfs/dbraw/zinc/01/30/79/160013079.db2.gz YLQNZJPUCNEPKF-ZCFIWIBFSA-N 0 0 300.262 0.070 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]21 ZINC000408021109 160013768 /nfs/dbraw/zinc/01/37/68/160013768.db2.gz GWARUGHWDDTQOY-VXGBXAGGSA-N 0 0 318.439 0.131 10 0 DCAERN C[C@H](CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)[S@](C)=O ZINC000408023924 160014768 /nfs/dbraw/zinc/01/47/68/160014768.db2.gz WMGVBRUFXHSFFS-WBSWQSFASA-N 0 0 317.455 0.258 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408028355 160015583 /nfs/dbraw/zinc/01/55/83/160015583.db2.gz DAGZTVOEZWLRLW-ZFWWWQNUSA-N 0 0 306.362 0.946 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)o1 ZINC000408030256 160016379 /nfs/dbraw/zinc/01/63/79/160016379.db2.gz YHWLRJZDTRUCDL-NEPJUHHUSA-N 0 0 300.380 0.682 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(F)c1 ZINC000408031888 160016856 /nfs/dbraw/zinc/01/68/56/160016856.db2.gz QBTVOXMIYNSSRX-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCN2C)n1 ZINC000408033977 160017326 /nfs/dbraw/zinc/01/73/26/160017326.db2.gz BQCQZBZXBZQGGI-CYBMUJFWSA-N 0 0 316.365 0.914 10 0 DCAERN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(C(N)=O)cn1 ZINC000408033813 160017845 /nfs/dbraw/zinc/01/78/45/160017845.db2.gz QDYQTSLMAAYOCL-IOASZLSFSA-N 0 0 305.378 0.937 10 0 DCAERN COC(=O)C1CCC(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000408040041 160019289 /nfs/dbraw/zinc/01/92/89/160019289.db2.gz BXACOSAFSBPEBZ-MGULZYLOSA-N 0 0 317.407 0.659 10 0 DCAERN O=C(CN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)N1CCOCC1 ZINC000408043032 160020190 /nfs/dbraw/zinc/02/01/90/160020190.db2.gz IYRXTPOUTNFOPB-ZNMIVQPWSA-N 0 0 312.410 0.097 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000408040882 160020807 /nfs/dbraw/zinc/02/08/07/160020807.db2.gz KCCCHXIKFOLSML-UPJWGTAASA-N 0 0 306.428 0.841 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCO[C@@H]3CCC[C@@H]32)cn1 ZINC000408045918 160021522 /nfs/dbraw/zinc/02/15/22/160021522.db2.gz UMMKBQMJSCOMFK-NWDGAFQWSA-N 0 0 307.354 0.414 10 0 DCAERN CCS(=O)(=O)NCCN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408046535 160022100 /nfs/dbraw/zinc/02/21/00/160022100.db2.gz XDXPLBZHKGEIGT-BFHYXJOUSA-N 0 0 320.455 0.178 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2cnc3onc(C)c3c2)C1 ZINC000408049835 160023469 /nfs/dbraw/zinc/02/34/69/160023469.db2.gz FMHDLMKJAGPCGU-OAHLLOKOSA-N 0 0 318.333 0.843 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H](C)c2cn(C)nc2C)C1 ZINC000408050472 160023824 /nfs/dbraw/zinc/02/38/24/160023824.db2.gz JWKRLUHSDWSONQ-MEBBXXQBSA-N 0 0 308.382 0.279 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000408054825 160024332 /nfs/dbraw/zinc/02/43/32/160024332.db2.gz UXMJYJPBJLPAEA-OFQRWUPVSA-N 0 0 312.410 0.537 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)C[C@H]2CCCC[C@H]2O)C1 ZINC000408055332 160025299 /nfs/dbraw/zinc/02/52/99/160025299.db2.gz TXCYNVBSMOZISW-IIAWOOMASA-N 0 0 312.410 0.369 10 0 DCAERN O=C([C@H](O)C1CCCCC1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000408062302 160026557 /nfs/dbraw/zinc/02/65/57/160026557.db2.gz NPQRCOAYBPNYGO-GDBMZVCRSA-N 0 0 322.409 0.573 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC(C)(C)O1 ZINC000408076199 160030291 /nfs/dbraw/zinc/03/02/91/160030291.db2.gz FDWOVQWXUZGPQY-VIFPVBQESA-N 0 0 313.379 0.369 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000408078001 160030950 /nfs/dbraw/zinc/03/09/50/160030950.db2.gz FRPHQHKHXUIUKW-LLVKDONJSA-N 0 0 303.318 0.368 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000408080389 160031406 /nfs/dbraw/zinc/03/14/06/160031406.db2.gz KKWOOLGKQZPXIY-GMTAPVOTSA-N 0 0 303.380 0.221 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1N1CCOCC1 ZINC000408080586 160031462 /nfs/dbraw/zinc/03/14/62/160031462.db2.gz NXHMUUBPFVHLCF-OCCSQVGLSA-N 0 0 319.409 0.335 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)c1 ZINC000408088812 160033147 /nfs/dbraw/zinc/03/31/47/160033147.db2.gz KUCMMXFEFQABIH-NWDGAFQWSA-N 0 0 301.412 0.931 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](C)[C@@H](O)C3)cc12 ZINC000408089121 160033239 /nfs/dbraw/zinc/03/32/39/160033239.db2.gz MEZPALMCEVXCJV-RNCFNFMXSA-N 0 0 324.406 0.668 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCOC(C)(C)[C@H]2C)cn1 ZINC000408089830 160033270 /nfs/dbraw/zinc/03/32/70/160033270.db2.gz AYRGBGZJSJAUEL-SNVBAGLBSA-N 0 0 309.370 0.660 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)o1 ZINC000408099972 160035500 /nfs/dbraw/zinc/03/55/00/160035500.db2.gz ZRRCKYRVSSQGEF-WDEREUQCSA-N 0 0 302.396 0.664 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)C2)c(Cl)c1 ZINC000408099401 160035973 /nfs/dbraw/zinc/03/59/73/160035973.db2.gz KSANLAUXPOSYJO-QMMMGPOBSA-N 0 0 318.782 0.584 10 0 DCAERN COC(=O)C1(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000408106652 160037268 /nfs/dbraw/zinc/03/72/68/160037268.db2.gz YUOPRKHHOGTUQE-QWRGUYRKSA-N 0 0 320.411 0.416 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408113196 160038467 /nfs/dbraw/zinc/03/84/67/160038467.db2.gz QUNVUVKAMYIZBL-RWMBFGLXSA-N 0 0 307.394 0.324 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCOC2)C1 ZINC000408115566 160039468 /nfs/dbraw/zinc/03/94/68/160039468.db2.gz LDNUKQWHARHWAU-QWHCGFSZSA-N 0 0 318.439 0.589 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@@H]1C ZINC000408116726 160039773 /nfs/dbraw/zinc/03/97/73/160039773.db2.gz ZKOSIOHFVOVXBL-QMMMGPOBSA-N 0 0 301.368 0.012 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408120059 160040399 /nfs/dbraw/zinc/04/03/99/160040399.db2.gz CBNHNAPPLNLZJG-VOMCLLRMSA-N 0 0 303.428 0.739 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CC2)CC1(C)C ZINC000408120738 160041320 /nfs/dbraw/zinc/04/13/20/160041320.db2.gz IIZWHDNTLSGLOW-CQSZACIVSA-N 0 0 321.421 0.857 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)[nH]1 ZINC000408133970 160044316 /nfs/dbraw/zinc/04/43/16/160044316.db2.gz QIWZOGCEQGFQRY-NSHDSACASA-N 0 0 303.322 0.324 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1O ZINC000408133898 160044503 /nfs/dbraw/zinc/04/45/03/160044503.db2.gz QDZKLKVFKVCRBV-VXGBXAGGSA-N 0 0 310.394 0.781 10 0 DCAERN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408136019 160045228 /nfs/dbraw/zinc/04/52/28/160045228.db2.gz APEBFDCJFHBJMK-UPJWGTAASA-N 0 0 318.439 0.730 10 0 DCAERN CC(C)CN(C)S(=O)(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000408139576 160045643 /nfs/dbraw/zinc/04/56/43/160045643.db2.gz OUZUBQOZQYJMNY-CYBMUJFWSA-N 0 0 305.444 0.272 10 0 DCAERN CN1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000408139960 160045830 /nfs/dbraw/zinc/04/58/30/160045830.db2.gz PVQQFGIYVFRJEW-NSHDSACASA-N 0 0 305.334 0.532 10 0 DCAERN Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)CC(F)(F)F)C1 ZINC000408140265 160046347 /nfs/dbraw/zinc/04/63/47/160046347.db2.gz QYUNCVHWIHPXBC-MRVPVSSYSA-N 0 0 312.317 0.887 10 0 DCAERN C[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)N1CCCCC1 ZINC000408142876 160046704 /nfs/dbraw/zinc/04/67/04/160046704.db2.gz YPURQVCHSOPNAR-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN NC(=O)[C@H]1CC[C@H](C(=O)N2CCC(c3nccs3)CC2)O1 ZINC000408151071 160048547 /nfs/dbraw/zinc/04/85/47/160048547.db2.gz YTXNTJSRNHZUDW-GHMZBOCLSA-N 0 0 309.391 0.882 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCC(=O)[C@H](C)C2)CC1 ZINC000408159347 160049892 /nfs/dbraw/zinc/04/98/92/160049892.db2.gz PMHHSQLSFSPVST-LLVKDONJSA-N 0 0 316.423 0.486 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408161797 160050593 /nfs/dbraw/zinc/05/05/93/160050593.db2.gz PVJINGNSZYIYFH-NWDGAFQWSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N1 ZINC000408166962 160050987 /nfs/dbraw/zinc/05/09/87/160050987.db2.gz VLYFLZYBQMSLDW-CHWSQXEVSA-N 0 0 302.378 0.645 10 0 DCAERN CSC1(CNC(=O)[C@@H]2CC(=O)N[C@H](C)C2)CCOCC1 ZINC000408166022 160050991 /nfs/dbraw/zinc/05/09/91/160050991.db2.gz OZEHREXSEDWRGV-MNOVXSKESA-N 0 0 300.424 0.930 10 0 DCAERN Cc1nccnc1N1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC000408167163 160051122 /nfs/dbraw/zinc/05/11/22/160051122.db2.gz WNUAYELGTFBBHU-UHFFFAOYSA-N 0 0 317.393 0.302 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)s1 ZINC000408164481 160051180 /nfs/dbraw/zinc/05/11/80/160051180.db2.gz IDXGINHYKFRYMX-SECBINFHSA-N 0 0 303.409 0.653 10 0 DCAERN C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1n1ccnc1 ZINC000408184352 160055464 /nfs/dbraw/zinc/05/54/64/160055464.db2.gz BFOFVJKQGADOFE-NEPJUHHUSA-N 0 0 314.411 0.184 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000408190504 160056248 /nfs/dbraw/zinc/05/62/48/160056248.db2.gz ZLSSNTQXHYOWBM-OLZOCXBDSA-N 0 0 318.439 0.686 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](CC)C2)C1 ZINC000408192248 160056922 /nfs/dbraw/zinc/05/69/22/160056922.db2.gz KXSMDXUWRBAGTO-JHJVBQTASA-N 0 0 309.410 0.808 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)CC(=O)N1 ZINC000408201367 160058052 /nfs/dbraw/zinc/05/80/52/160058052.db2.gz DWOHZQICGZBHTO-XQLPTFJDSA-N 0 0 323.437 0.470 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)NC2CCS(=O)CC2)c1C ZINC000408210759 160060958 /nfs/dbraw/zinc/06/09/58/160060958.db2.gz KDMCUKLXYVVXBA-UHFFFAOYSA-N 0 0 319.452 0.709 10 0 DCAERN CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[S@](=O)[C@H](C)C1 ZINC000408210994 160060963 /nfs/dbraw/zinc/06/09/63/160060963.db2.gz LZXNCCCYUADAKW-NLQQUQSOSA-N 0 0 303.428 0.310 10 0 DCAERN O=C(CN1CCC[C@](O)(C(F)(F)F)C1)NC1CCOCC1 ZINC000408215869 160061450 /nfs/dbraw/zinc/06/14/50/160061450.db2.gz AVHDZZYZGDTEDV-GFCCVEGCSA-N 0 0 310.316 0.671 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N2[C@H](C)COC[C@@H]2C)C1=O ZINC000408217249 160062276 /nfs/dbraw/zinc/06/22/76/160062276.db2.gz KQBZXXBGZNCLGF-PHIMTYICSA-N 0 0 311.382 0.733 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(C)(CO)CC1 ZINC000408222250 160063091 /nfs/dbraw/zinc/06/30/91/160063091.db2.gz AWLSHEGXRVSCNO-LLVKDONJSA-N 0 0 300.424 0.919 10 0 DCAERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)CN2CC(=O)NC2=O)C1 ZINC000408222923 160063103 /nfs/dbraw/zinc/06/31/03/160063103.db2.gz RZYVAIACCXHYFA-BONVTDFDSA-N 0 0 311.382 0.232 10 0 DCAERN C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)C1(F)F ZINC000408230498 160064883 /nfs/dbraw/zinc/06/48/83/160064883.db2.gz BJGNAVQHNHLMBP-DOLQZWNJSA-N 0 0 310.366 0.722 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1CCC[C@@H]1O ZINC000408234854 160065424 /nfs/dbraw/zinc/06/54/24/160065424.db2.gz IAIOZVDPYDJAOH-RVMXOQNASA-N 0 0 308.378 0.439 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)c1cnn(C)c1 ZINC000408234296 160065796 /nfs/dbraw/zinc/06/57/96/160065796.db2.gz BWIBFJNVZJGRGT-MXWKQRLJSA-N 0 0 302.400 0.425 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)N2CCCC[C@H]2C)CC1=O ZINC000408235871 160066116 /nfs/dbraw/zinc/06/61/16/160066116.db2.gz GMNQNDFAMBCMER-NDBYEHHHSA-N 0 0 315.439 0.705 10 0 DCAERN CCCCS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408240976 160066790 /nfs/dbraw/zinc/06/67/90/160066790.db2.gz GXLXZJSJBOCFKA-QWRGUYRKSA-N 0 0 312.457 0.566 10 0 DCAERN CCN(CC)C(=O)CN(C)S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408238693 160067247 /nfs/dbraw/zinc/06/72/47/160067247.db2.gz VVBNPSLOLPDCDZ-NEPJUHHUSA-N 0 0 321.443 0.141 10 0 DCAERN O=S(=O)(N1CCCCC1)N1CCN(Cc2ccon2)CC1 ZINC000408241371 160067501 /nfs/dbraw/zinc/06/75/01/160067501.db2.gz VYIYXRXZEVBBNN-UHFFFAOYSA-N 0 0 314.411 0.523 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000408243494 160067609 /nfs/dbraw/zinc/06/76/09/160067609.db2.gz AIWZUGGPFLJGNG-INIZCTEOSA-N 0 0 316.361 0.920 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408243338 160067907 /nfs/dbraw/zinc/06/79/07/160067907.db2.gz GIYOUCNFAYYBPV-UHFFFAOYSA-N 0 0 319.427 0.120 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@]3(CNC(=O)C3)C2)C1 ZINC000408243815 160068284 /nfs/dbraw/zinc/06/82/84/160068284.db2.gz BHNXVHKSPYHHPU-GUYCJALGSA-N 0 0 321.421 0.764 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCCO1 ZINC000408258252 160070611 /nfs/dbraw/zinc/07/06/11/160070611.db2.gz ZCHCELAMISAWBH-RVMXOQNASA-N 0 0 317.407 0.769 10 0 DCAERN CNC(=O)N[C@@H]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000408258142 160070763 /nfs/dbraw/zinc/07/07/63/160070763.db2.gz VEJSPTJTZBLZGN-IGQOVBAYSA-N 0 0 310.442 0.931 10 0 DCAERN Cn1c2cccc(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2oc1=O ZINC000408260810 160071238 /nfs/dbraw/zinc/07/12/38/160071238.db2.gz IIQDITDSMIWCCO-BXKDBHETSA-N 0 0 315.329 0.482 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NCC2CCCC2)N(S(C)(=O)=O)C1 ZINC000408264204 160072201 /nfs/dbraw/zinc/07/22/01/160072201.db2.gz CUKNKMKEWHDGJH-NWDGAFQWSA-N 0 0 304.412 0.342 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000408266560 160072512 /nfs/dbraw/zinc/07/25/12/160072512.db2.gz QFZWNNUKVDMFJL-LLVKDONJSA-N 0 0 304.350 0.820 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@H](CO)O1 ZINC000408269471 160072525 /nfs/dbraw/zinc/07/25/25/160072525.db2.gz CFTLEKBOEOUFPG-GRYCIOLGSA-N 0 0 309.366 0.146 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CCS(=O)(=O)C2)CC[S@@]1=O ZINC000408273016 160073280 /nfs/dbraw/zinc/07/32/80/160073280.db2.gz MHJVHJHUYCYOEH-WLRWDXFRSA-N 0 0 321.464 0.571 10 0 DCAERN CC(C)n1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)cn1 ZINC000408274322 160073536 /nfs/dbraw/zinc/07/35/36/160073536.db2.gz XWFCEHRHLOCBKH-UHFFFAOYSA-N 0 0 301.350 0.756 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(C)C2)CC[S@]1=O ZINC000408274517 160074380 /nfs/dbraw/zinc/07/43/80/160074380.db2.gz ZXRLHAVOPUKVRD-BIBXISHDSA-N 0 0 300.424 0.614 10 0 DCAERN CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408277274 160075326 /nfs/dbraw/zinc/07/53/26/160075326.db2.gz OUZCYLAATJOGIP-GRYCIOLGSA-N 0 0 322.427 0.612 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCOc2ccc(F)cc2C1 ZINC000408281172 160075690 /nfs/dbraw/zinc/07/56/90/160075690.db2.gz SPSWKTDOGUBDCU-SECBINFHSA-N 0 0 316.354 0.484 10 0 DCAERN C[C@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000408297771 160079168 /nfs/dbraw/zinc/07/91/68/160079168.db2.gz KIYGDKPZMWIWKT-NHYWBVRUSA-N 0 0 313.398 0.491 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408296405 160079311 /nfs/dbraw/zinc/07/93/11/160079311.db2.gz CZNPNQCVVZGDRI-OAHLLOKOSA-N 0 0 307.350 0.368 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@@H]1CCSC1)C(=O)N1CCOCC1 ZINC000408305853 160081373 /nfs/dbraw/zinc/08/13/73/160081373.db2.gz NPTFALJXULIACC-VXGBXAGGSA-N 0 0 300.424 0.739 10 0 DCAERN O=C(NC[C@@H]1CCCN(C(=O)C2(O)CCC2)C1)C1(O)CCC1 ZINC000408319044 160083902 /nfs/dbraw/zinc/08/39/02/160083902.db2.gz KUFYSDHIGWQHRK-LBPRGKRZSA-N 0 0 310.394 0.171 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC(=O)[C@H](C)C1 ZINC000408317570 160084255 /nfs/dbraw/zinc/08/42/55/160084255.db2.gz HGLYDMBQDJTSGS-MRVPVSSYSA-N 0 0 316.404 0.755 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)O1 ZINC000408317759 160084267 /nfs/dbraw/zinc/08/42/67/160084267.db2.gz ATOHARAUIYJIPD-IJLUTSLNSA-N 0 0 304.412 0.342 10 0 DCAERN Cn1cc([C@@H]2CSCCN2C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC000408322902 160084651 /nfs/dbraw/zinc/08/46/51/160084651.db2.gz WNDBAIITQMUTFS-SRVKXCTJSA-N 0 0 324.406 0.070 10 0 DCAERN C[C@@]1(C(N)=O)CCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408326802 160085276 /nfs/dbraw/zinc/08/52/76/160085276.db2.gz PXLOVIMGAHZZGR-OAHLLOKOSA-N 0 0 303.318 0.355 10 0 DCAERN Cn1cnc2c(c1=O)CCN(S(=O)(=O)CCC(C)(C)C)C2 ZINC000408324717 160085333 /nfs/dbraw/zinc/08/53/33/160085333.db2.gz QBRHUCJOPBUFFT-UHFFFAOYSA-N 0 0 313.423 0.904 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1C ZINC000408330551 160086181 /nfs/dbraw/zinc/08/61/81/160086181.db2.gz NFXJDNZVIFMQTG-HNNXBMFYSA-N 0 0 319.365 0.477 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408349051 160089795 /nfs/dbraw/zinc/08/97/95/160089795.db2.gz GNVBTDMQPWPSNE-BLLLJJGKSA-N 0 0 315.377 0.820 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408348655 160089888 /nfs/dbraw/zinc/08/98/88/160089888.db2.gz CVIANKVZZUOZNH-IAQYHMDHSA-N 0 0 309.366 0.082 10 0 DCAERN O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000408350524 160090522 /nfs/dbraw/zinc/09/05/22/160090522.db2.gz RXVSADCVAZWFQU-RWMBFGLXSA-N 0 0 315.435 0.869 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000408351527 160090615 /nfs/dbraw/zinc/09/06/15/160090615.db2.gz FYEDYOXFGHVWLI-NEPJUHHUSA-N 0 0 300.424 0.775 10 0 DCAERN CNS(=O)(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000408354524 160090916 /nfs/dbraw/zinc/09/09/16/160090916.db2.gz IDTVZGRXWQRYQN-ZETCQYMHSA-N 0 0 318.424 0.260 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@H](c2nnc(CC)o2)C1 ZINC000408360881 160092251 /nfs/dbraw/zinc/09/22/51/160092251.db2.gz ACQZKRRLSONKOS-VIFPVBQESA-N 0 0 304.372 0.250 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000408374795 160094430 /nfs/dbraw/zinc/09/44/30/160094430.db2.gz MMIMPDHSXXZVGC-TZMCWYRMSA-N 0 0 300.424 0.919 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cccc3c2OCC(=O)N3)[C@@H](C(N)=O)C1 ZINC000408372446 160094664 /nfs/dbraw/zinc/09/46/64/160094664.db2.gz CBJDHVRSNVYZMN-BXKDBHETSA-N 0 0 317.345 0.744 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCO[C@H](CO)C2)C1 ZINC000408380582 160095860 /nfs/dbraw/zinc/09/58/60/160095860.db2.gz ARHJDNPKAMIFHA-NJKWTTEGSA-N 0 0 318.439 0.469 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nncn1C)C2=O ZINC000408382354 160096616 /nfs/dbraw/zinc/09/66/16/160096616.db2.gz QSXUPMLEAMSWTP-UHFFFAOYSA-N 0 0 320.353 0.254 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)NC1CCOCC1 ZINC000408385378 160096852 /nfs/dbraw/zinc/09/68/52/160096852.db2.gz LNDHCPJKEITKHK-NEPJUHHUSA-N 0 0 319.427 0.325 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)Nc2ccnc(C)c2)n1 ZINC000408391657 160098492 /nfs/dbraw/zinc/09/84/92/160098492.db2.gz CJBHKLJHQJGBAF-VXGBXAGGSA-N 0 0 303.322 0.843 10 0 DCAERN O=C([C@H]1CCSC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000408404142 160101196 /nfs/dbraw/zinc/10/11/96/160101196.db2.gz NZCSDTGREYMNQJ-NSHDSACASA-N 0 0 318.406 0.526 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](OCCO)C1 ZINC000408406669 160101963 /nfs/dbraw/zinc/10/19/63/160101963.db2.gz RRZIJXDHFNYDPC-OLZOCXBDSA-N 0 0 323.397 0.604 10 0 DCAERN C[C@H]1CCN(C(=O)NCCCN2CCCC2=O)CC[S@@]1=O ZINC000408409085 160102602 /nfs/dbraw/zinc/10/26/02/160102602.db2.gz SWXZMZWHXNGXQJ-QKVFXAPYSA-N 0 0 315.439 0.551 10 0 DCAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCCCC1 ZINC000408413599 160103476 /nfs/dbraw/zinc/10/34/76/160103476.db2.gz CJTRHHYDRRKYMJ-LLVKDONJSA-N 0 0 306.370 0.425 10 0 DCAERN CN1CCN(CC(=O)NC[C@]2(O)CCCC(C)(C)C2)CC1=O ZINC000408412760 160103567 /nfs/dbraw/zinc/10/35/67/160103567.db2.gz AIFCFMGDFXVAKV-INIZCTEOSA-N 0 0 311.426 0.208 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N2CCCCC2)CCN1C[C@H](C)O ZINC000408428413 160105979 /nfs/dbraw/zinc/10/59/79/160105979.db2.gz DLFDCVSQBPUMRC-KBPBESRZSA-N 0 0 319.471 0.494 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCOC[C@]23CCOC3)c1 ZINC000408431865 160106885 /nfs/dbraw/zinc/10/68/85/160106885.db2.gz KAUBTSVIERESTO-GFCCVEGCSA-N 0 0 301.368 0.083 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000408432162 160107004 /nfs/dbraw/zinc/10/70/04/160107004.db2.gz DPIVVRBULJFPPR-GFCCVEGCSA-N 0 0 313.427 0.961 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@]3(C)CCCO3)C2=O)n(C)n1 ZINC000408443519 160109115 /nfs/dbraw/zinc/10/91/15/160109115.db2.gz QBZNZBBUCZSOJK-WBMJQRKESA-N 0 0 320.393 0.909 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](CO)C1 ZINC000408446231 160109134 /nfs/dbraw/zinc/10/91/34/160109134.db2.gz ILBKGFOOPWZSLM-QWRGUYRKSA-N 0 0 309.370 0.078 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@]3(C)CCCO3)CCO2)n1 ZINC000408444320 160109620 /nfs/dbraw/zinc/10/96/20/160109620.db2.gz URLMAJKFBIFNNL-UKRRQHHQSA-N 0 0 308.382 0.691 10 0 DCAERN OC[C@H]1C[C@H](O)CN1c1ccc(I)cn1 ZINC000408459665 160113085 /nfs/dbraw/zinc/11/30/85/160113085.db2.gz YOBFPFPVSPQSBK-BDAKNGLRSA-N 0 0 320.130 0.618 10 0 DCAERN CCOc1ccncc1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000408458336 160113091 /nfs/dbraw/zinc/11/30/91/160113091.db2.gz FHDXKUOINCTIEX-GFCCVEGCSA-N 0 0 300.380 0.872 10 0 DCAERN CC(C)CN1C[C@H]2CN(C(=O)C3CC(C)(O)C3)CCN2C1=O ZINC000408462177 160113642 /nfs/dbraw/zinc/11/36/42/160113642.db2.gz YCEIGGUBZUOQTB-MFOWVQHXSA-N 0 0 309.410 0.752 10 0 DCAERN CC1CCC(CC(=O)NC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC000408469615 160115316 /nfs/dbraw/zinc/11/53/16/160115316.db2.gz SOXPAJAXJPAWJG-ORHYLEIMSA-N 0 0 303.424 0.869 10 0 DCAERN COc1ccc(CNC(=O)CS(=O)(=O)c2nccn2C)cc1 ZINC000063862011 286903417 /nfs/dbraw/zinc/90/34/17/286903417.db2.gz DTXJSRMGRDNKMD-UHFFFAOYSA-N 0 0 323.374 0.519 10 0 DCAERN CCCNC(=O)CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000081082580 286928490 /nfs/dbraw/zinc/92/84/90/286928490.db2.gz PFEYLIBDGVBXJD-UHFFFAOYSA-N 0 0 303.326 0.310 10 0 DCAERN COc1cc(F)c(S(=O)(=O)NCC2CC(O)C2)cc1OC ZINC000091524518 286935961 /nfs/dbraw/zinc/93/59/61/286935961.db2.gz IJDVIBMJIQOPFW-UHFFFAOYSA-N 0 0 319.354 0.892 10 0 DCAERN Cc1cccc(CNC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1 ZINC000091620483 286936495 /nfs/dbraw/zinc/93/64/95/286936495.db2.gz BUUASSPPPBYPQX-KGLIPLIRSA-N 0 0 320.393 0.825 10 0 DCAERN CCCCNC(=O)[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132086136 287003594 /nfs/dbraw/zinc/00/35/94/287003594.db2.gz QJCBHMHYGYKRNW-CYBMUJFWSA-N 0 0 322.409 0.980 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000132161469 287003801 /nfs/dbraw/zinc/00/38/01/287003801.db2.gz NHHQRIDNOVBYBR-NWDGAFQWSA-N 0 0 306.428 0.325 10 0 DCAERN CC[C@@]1(C)CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000135275082 287020940 /nfs/dbraw/zinc/02/09/40/287020940.db2.gz RIMSVMOMDHJOGJ-HNNXBMFYSA-N 0 0 319.365 0.158 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000136033530 287025185 /nfs/dbraw/zinc/02/51/85/287025185.db2.gz FOSDADIHRUXDOE-KGLIPLIRSA-N 0 0 322.405 0.783 10 0 DCAERN CCn1cc(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cn1 ZINC000135436457 287022601 /nfs/dbraw/zinc/02/26/01/287022601.db2.gz QOYSSIFEMGPGHR-UHFFFAOYSA-N 0 0 311.305 0.700 10 0 DCAERN COCCCCS(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000136118710 287025565 /nfs/dbraw/zinc/02/55/65/287025565.db2.gz ZTJPZFSFHAVWSP-UHFFFAOYSA-N 0 0 306.428 0.781 10 0 DCAERN CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(CCO)CC1 ZINC000137560400 287028476 /nfs/dbraw/zinc/02/84/76/287028476.db2.gz XUOCVYJXNCBMOD-CYBMUJFWSA-N 0 0 314.430 0.001 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)c2cc(C(N)=O)cn2C)n1 ZINC000150978908 287031457 /nfs/dbraw/zinc/03/14/57/287031457.db2.gz NDDNXRVVLSMTGM-UHFFFAOYSA-N 0 0 303.366 0.757 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000151863687 287036745 /nfs/dbraw/zinc/03/67/45/287036745.db2.gz YGQWQGHLYKWQKM-WDEREUQCSA-N 0 0 316.361 0.718 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000152204267 287039797 /nfs/dbraw/zinc/03/97/97/287039797.db2.gz QCXHYTMHOIXLLJ-JTQLQIEISA-N 0 0 315.285 0.170 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1CCCC[C@H]1C ZINC000408354152 292511468 /nfs/dbraw/zinc/51/14/68/292511468.db2.gz IFNAZSHHSOXQHG-CHWSQXEVSA-N 0 0 306.428 0.843 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1C[C@H](C)O ZINC000246247517 287079891 /nfs/dbraw/zinc/07/98/91/287079891.db2.gz UXVPXXGLTCJILZ-NWDGAFQWSA-N 0 0 324.381 0.225 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000246131771 287077335 /nfs/dbraw/zinc/07/73/35/287077335.db2.gz FGYHOLUZPBYUDR-YNEHKIRRSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@H](Sc1nncn1C)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246424098 287083447 /nfs/dbraw/zinc/08/34/47/287083447.db2.gz CTLSEOQHXDKTFX-GARJFASQSA-N 0 0 323.422 0.565 10 0 DCAERN Cc1csc(=O)n1CCN1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000246595097 287085872 /nfs/dbraw/zinc/08/58/72/287085872.db2.gz CLCALLJSTBZRSO-GHMZBOCLSA-N 0 0 304.437 0.726 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)[S@](=O)Cc1nnnn1C(C)C ZINC000247381959 287093198 /nfs/dbraw/zinc/09/31/98/287093198.db2.gz IBIDZQCJNOMXBK-DCLVOVMVSA-N 0 0 301.416 0.806 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000247190112 287091798 /nfs/dbraw/zinc/09/17/98/287091798.db2.gz VHQIFLVVQZYWIL-RYUDHWBXSA-N 0 0 306.428 0.037 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC000247171416 287091826 /nfs/dbraw/zinc/09/18/26/287091826.db2.gz RDTIRTMNIZLXLT-ZFWWWQNUSA-N 0 0 311.426 0.424 10 0 DCAERN CC[C@H]1CCCCN1C(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247249171 287092393 /nfs/dbraw/zinc/09/23/93/287092393.db2.gz ZRFMJCISRVUSPR-STQMWFEESA-N 0 0 302.440 0.896 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000247870052 287095408 /nfs/dbraw/zinc/09/54/08/287095408.db2.gz XKMMXWYUXHOTAA-WDEREUQCSA-N 0 0 324.402 0.896 10 0 DCAERN Cn1cc(C[N@@H+]2CCCN(C[C@@H](O)C(F)(F)F)CC2)cn1 ZINC000248538609 287098387 /nfs/dbraw/zinc/09/83/87/287098387.db2.gz ANEIVTJCUQQQAX-GFCCVEGCSA-N 0 0 306.332 0.851 10 0 DCAERN CCCCOC[C@@H](O)CN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000248656064 287099194 /nfs/dbraw/zinc/09/91/94/287099194.db2.gz RAFIKSLAJDJBMW-KBPBESRZSA-N 0 0 305.440 0.816 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000248704069 287100297 /nfs/dbraw/zinc/10/02/97/287100297.db2.gz OBTAZHCKILIHIC-JLLWLGSASA-N 0 0 309.370 0.213 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000248734522 287100389 /nfs/dbraw/zinc/10/03/89/287100389.db2.gz AZCSBPBVXBVNQI-FVCCEPFGSA-N 0 0 318.439 0.493 10 0 DCAERN CNC(=O)Cc1nc(CN2CC[C@H](C)C[C@@H]2C(N)=O)cs1 ZINC000249539784 287113112 /nfs/dbraw/zinc/11/31/12/287113112.db2.gz DORAZNNEPWAHNR-GXSJLCMTSA-N 0 0 310.423 0.517 10 0 DCAERN C[C@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCN1CCO ZINC000249589959 287115425 /nfs/dbraw/zinc/11/54/25/287115425.db2.gz VBQITSUSLPCIAM-GOEBONIOSA-N 0 0 305.422 0.814 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2C[C@@H](O)C2(C)C)[C@@H]1c1cccnc1 ZINC000250131347 287118677 /nfs/dbraw/zinc/11/86/77/287118677.db2.gz XETLDWYMCCAEKP-JLNYLFASSA-N 0 0 317.389 0.877 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1F)N1CCN(CCO)[C@H](C)C1 ZINC000249599911 287115734 /nfs/dbraw/zinc/11/57/34/287115734.db2.gz XWJCGOHXNBQCBO-ZIAGYGMSSA-N 0 0 323.412 0.829 10 0 DCAERN CC(=O)N1CCCc2cc(NC(=O)N[C@H](C)C(N)=O)ccc21 ZINC000355343315 287179255 /nfs/dbraw/zinc/17/92/55/287179255.db2.gz KRHDQWYUQOTJAJ-SECBINFHSA-N 0 0 304.350 0.981 10 0 DCAERN CC[C@@H]1CN(C[C@@H](C)CS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000373804203 287196991 /nfs/dbraw/zinc/19/69/91/287196991.db2.gz GZZKANDILGSBPV-MGPQQGTHSA-N 0 0 305.440 0.937 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2nccn2C(F)F)C1 ZINC000357269883 287205102 /nfs/dbraw/zinc/20/51/02/287205102.db2.gz OPRVAROALQZZML-DTWKUNHWSA-N 0 0 316.308 0.578 10 0 DCAERN O=C([C@H]1CC(c2ccccc2)=NO1)N1CCN2CCOC[C@@H]2C1 ZINC000375887054 287228644 /nfs/dbraw/zinc/22/86/44/287228644.db2.gz AZEPHUXCOAZESJ-GOEBONIOSA-N 0 0 315.373 0.723 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000408355178 287233685 /nfs/dbraw/zinc/23/36/85/287233685.db2.gz LKTXEICOAAWZMB-TUAOUCFPSA-N 0 0 320.397 0.765 10 0 DCAERN CCN1CCN(CC(=O)Nc2nccn2CC(C)C)C(=O)C1=O ZINC000064659752 412410340 /nfs/dbraw/zinc/41/03/40/412410340.db2.gz ZQDBJXYGZLLNAI-UHFFFAOYSA-N 0 0 321.381 0.168 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)CC(=O)N1 ZINC000408276088 287291196 /nfs/dbraw/zinc/29/11/96/287291196.db2.gz FAFWPOUQINLPFD-IATRGZMQSA-N 0 0 310.394 0.698 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cn1C ZINC000342296222 415129362 /nfs/dbraw/zinc/12/93/62/415129362.db2.gz WKIMAMNFHWWGHX-UWVGGRQHSA-N 0 0 316.379 0.610 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000265830231 415131651 /nfs/dbraw/zinc/13/16/51/415131651.db2.gz WGODZARZIZRXGJ-UWVGGRQHSA-N 0 0 316.379 0.779 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000042647288 415211810 /nfs/dbraw/zinc/21/18/10/415211810.db2.gz ZWFFZNMGCXVJNC-NSHDSACASA-N 0 0 317.349 0.909 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CC[C@H](O)C1 ZINC000352584595 415240711 /nfs/dbraw/zinc/24/07/11/415240711.db2.gz WMZBJXBNKFWKFV-NSHDSACASA-N 0 0 305.334 0.201 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000046882073 415261381 /nfs/dbraw/zinc/26/13/81/415261381.db2.gz CLSFSOVVIBPNLJ-UHFFFAOYSA-N 0 0 300.403 0.315 10 0 DCAERN Cn1nccc1CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000047457067 415271244 /nfs/dbraw/zinc/27/12/44/415271244.db2.gz BYSVZWWCLCPJPM-UHFFFAOYSA-N 0 0 323.356 0.955 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2cnn(C)c2)cc1 ZINC000054289400 415324949 /nfs/dbraw/zinc/32/49/49/415324949.db2.gz ZWNOCYUVUAOBMX-UHFFFAOYSA-N 0 0 302.334 0.475 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275879649 415385942 /nfs/dbraw/zinc/38/59/42/415385942.db2.gz YPRRGONWOARHRW-JHJVBQTASA-N 0 0 320.393 0.290 10 0 DCAERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CN1CC(=O)NC1=O ZINC000276152350 415439263 /nfs/dbraw/zinc/43/92/63/415439263.db2.gz DELZXARNXXYZEN-SSDOTTSWSA-N 0 0 307.272 0.728 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000332691410 415441230 /nfs/dbraw/zinc/44/12/30/415441230.db2.gz SPHSKKCUXQJLEP-SDDRHHMPSA-N 0 0 305.382 0.412 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000084926168 415502387 /nfs/dbraw/zinc/50/23/87/415502387.db2.gz LVPSKUWXZPYNFW-GJZGRUSLSA-N 0 0 313.419 0.683 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3cnccn3)C[C@H]21 ZINC000332751268 415461219 /nfs/dbraw/zinc/46/12/19/415461219.db2.gz BVDKJDOJRAYGHT-KGLIPLIRSA-N 0 0 305.382 0.134 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC3(C)CCOCC3)C[C@@H]21 ZINC000332758777 415464032 /nfs/dbraw/zinc/46/40/32/415464032.db2.gz OMGMSXBUIYUZJH-KBPBESRZSA-N 0 0 311.426 0.918 10 0 DCAERN c1cc(N2CCCC[C@@H]2CN2CCOCC2)nn2nnnc12 ZINC000078619200 415464580 /nfs/dbraw/zinc/46/45/80/415464580.db2.gz HCITZCDTHHHRQP-GFCCVEGCSA-N 0 0 303.370 0.210 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)NCc2nc3ccccc3[nH]2)C1=O ZINC000078603816 415467665 /nfs/dbraw/zinc/46/76/65/415467665.db2.gz ONLBYSQLTDKBSZ-UHFFFAOYSA-N 0 0 315.333 0.510 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cncc(C)c2)C1 ZINC000079879438 415475426 /nfs/dbraw/zinc/47/54/26/415475426.db2.gz AEYUJFRSJDXAOD-LBPRGKRZSA-N 0 0 304.350 0.456 10 0 DCAERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@@H](F)C[C@@H]1CO ZINC000332898182 415509710 /nfs/dbraw/zinc/50/97/10/415509710.db2.gz YSQSFGSDWKHPRG-SBFPOUOMSA-N 0 0 315.389 0.794 10 0 DCAERN CCN1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 ZINC000090988144 415529900 /nfs/dbraw/zinc/52/99/00/415529900.db2.gz AMAKOVADEALWOL-UHFFFAOYSA-N 0 0 300.362 0.781 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)C[C@@H](C)O1 ZINC000333028322 415535998 /nfs/dbraw/zinc/53/59/98/415535998.db2.gz BPKCJDYBQPDRBT-MQYQWHSLSA-N 0 0 318.439 0.699 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2c(F)cccc2F)C1 ZINC000091414294 415536979 /nfs/dbraw/zinc/53/69/79/415536979.db2.gz QCMAXYPTBQALRQ-UHFFFAOYSA-N 0 0 311.288 0.498 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000281563252 415553336 /nfs/dbraw/zinc/55/33/36/415553336.db2.gz LUAQUZXJMIWPAL-YUMQZZPRSA-N 0 0 302.352 0.485 10 0 DCAERN COC[C@]1(CO)CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333106877 415555694 /nfs/dbraw/zinc/55/56/94/415555694.db2.gz DFJSXLWISTUELS-ZOBORPQBSA-N 0 0 303.424 0.836 10 0 DCAERN O=C(CCNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)N1CCOCC1 ZINC000333137739 415567488 /nfs/dbraw/zinc/56/74/88/415567488.db2.gz IVGDIQCWYTYJCF-AGIUHOORSA-N 0 0 316.423 0.343 10 0 DCAERN O=S(=O)(C1COC1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000333155448 415573687 /nfs/dbraw/zinc/57/36/87/415573687.db2.gz MJMLSQZYQNZMIP-VXNVDRBHSA-N 0 0 303.302 0.350 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N(C)[C@@H]3CCOC3)cc12 ZINC000106897685 415650678 /nfs/dbraw/zinc/65/06/78/415650678.db2.gz DFDYROHMKOYZAN-SNVBAGLBSA-N 0 0 310.379 0.686 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000104361787 415624207 /nfs/dbraw/zinc/62/42/07/415624207.db2.gz ATUNLMGVYHXVFF-JSGCOSHPSA-N 0 0 318.373 0.983 10 0 DCAERN NC(=O)Cn1cc(NC(=O)c2ccc(-c3ncon3)cc2)cn1 ZINC000107220857 415659103 /nfs/dbraw/zinc/65/91/03/415659103.db2.gz SZBFHDYBCGJRPR-UHFFFAOYSA-N 0 0 312.289 0.671 10 0 DCAERN CN(CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000333505747 415669857 /nfs/dbraw/zinc/66/98/57/415669857.db2.gz WVVCLAVTNVFJRK-RUDNTAQLSA-N 0 0 322.405 0.411 10 0 DCAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000107699811 415673548 /nfs/dbraw/zinc/67/35/48/415673548.db2.gz NQYVOAGTNHGVBT-JTQLQIEISA-N 0 0 316.379 0.829 10 0 DCAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C1 ZINC000333555345 415679966 /nfs/dbraw/zinc/67/99/66/415679966.db2.gz VHTPBLKRJKQSLI-MEWXFMAXSA-N 0 0 317.389 0.830 10 0 DCAERN CO[C@@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1(C)C ZINC000333565491 415683998 /nfs/dbraw/zinc/68/39/98/415683998.db2.gz XEMMWHGUIFYETB-YNEHKIRRSA-N 0 0 323.397 0.675 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@H](OC)C[C@@H]2COC)nc1 ZINC000343715160 415695728 /nfs/dbraw/zinc/69/57/28/415695728.db2.gz QEEJBOOSQKTKOU-GHMZBOCLSA-N 0 0 315.395 0.230 10 0 DCAERN CCOCCOCC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112064413 415702052 /nfs/dbraw/zinc/70/20/52/415702052.db2.gz ADFZZLJEZSEMAU-AWEZNQCLSA-N 0 0 311.382 0.472 10 0 DCAERN O=C(CN1C[C@H](O)C[C@H]1c1cccc(F)c1)N1CCNC1=O ZINC000343750735 415708040 /nfs/dbraw/zinc/70/80/40/415708040.db2.gz ABWGSZKCUFYYLX-OLZOCXBDSA-N 0 0 307.325 0.485 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000112655344 415712838 /nfs/dbraw/zinc/71/28/38/415712838.db2.gz LPQRUQJYHIVBDY-QWHCGFSZSA-N 0 0 317.393 0.358 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)CN1CSCC1=O)C2 ZINC000112668884 415713951 /nfs/dbraw/zinc/71/39/51/415713951.db2.gz VKQDLWBOOFFWPE-UHFFFAOYSA-N 0 0 322.434 0.961 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nocc1C ZINC000119520641 415747462 /nfs/dbraw/zinc/74/74/62/415747462.db2.gz LPURXRQDSBPYRO-LLVKDONJSA-N 0 0 322.365 0.781 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)CCC1=O ZINC000120531324 415775845 /nfs/dbraw/zinc/77/58/45/415775845.db2.gz AYUCWPDVFTYOTF-JTQLQIEISA-N 0 0 311.288 0.640 10 0 DCAERN O=C(/C=C/c1ccc(O)cc1)NC[C@H](O)CN1CCOCC1 ZINC000122254541 415829865 /nfs/dbraw/zinc/82/98/65/415829865.db2.gz UANVCJAIPPXBGX-VFQAQYNWSA-N 0 0 306.362 0.215 10 0 DCAERN O=S(=O)(N1CC[C@H](CCO)C1)N1CCc2ccccc2C1 ZINC000122859896 415836267 /nfs/dbraw/zinc/83/62/67/415836267.db2.gz RVIMONGMMRWGFN-CYBMUJFWSA-N 0 0 310.419 0.994 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)C1 ZINC000123052020 415839716 /nfs/dbraw/zinc/83/97/16/415839716.db2.gz ORVWQAOENQQZIZ-WDEREUQCSA-N 0 0 310.441 0.130 10 0 DCAERN Cn1nncc1CNC(=O)c1ncsc1Br ZINC000290242586 415779925 /nfs/dbraw/zinc/77/99/25/415779925.db2.gz YULFWWZDNMOFPE-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN Cn1cnc(CNC(=O)CN2C(=O)CSc3ccccc32)n1 ZINC000120769482 415783159 /nfs/dbraw/zinc/78/31/59/415783159.db2.gz JPBVJBCPODNNON-UHFFFAOYSA-N 0 0 317.374 0.570 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000120837669 415785126 /nfs/dbraw/zinc/78/51/26/415785126.db2.gz HQYCZRSXAFQYFT-ZIAGYGMSSA-N 0 0 305.382 0.678 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)Nc1cccc2c1OCC(=O)N2 ZINC000290277376 415786031 /nfs/dbraw/zinc/78/60/31/415786031.db2.gz WVHGTHTVSVYZGJ-VIFPVBQESA-N 0 0 316.321 0.819 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)ccc1N(C)C ZINC000121182847 415796165 /nfs/dbraw/zinc/79/61/65/415796165.db2.gz UGUDCZUQXBJVLH-CYBMUJFWSA-N 0 0 305.378 0.983 10 0 DCAERN CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000121346240 415801803 /nfs/dbraw/zinc/80/18/03/415801803.db2.gz JZRQRGFMACQZRI-CQSZACIVSA-N 0 0 315.373 0.873 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccnc(OCC(F)F)c2)C1 ZINC000121747400 415817137 /nfs/dbraw/zinc/81/71/37/415817137.db2.gz MZNUGMXKIZEHAY-NSHDSACASA-N 0 0 315.320 0.786 10 0 DCAERN COC(=O)c1ccc(Cn2nc(C(N)=O)ccc2=O)c(F)c1 ZINC000126054495 415871923 /nfs/dbraw/zinc/87/19/23/415871923.db2.gz HNGFZIMCUBSZGX-UHFFFAOYSA-N 0 0 305.265 0.316 10 0 DCAERN CC(=O)N1CC[C@H](NS(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000126700029 415880345 /nfs/dbraw/zinc/88/03/45/415880345.db2.gz RHPGXXMDCYHRMF-JTQLQIEISA-N 0 0 324.362 0.430 10 0 DCAERN CCOC(=O)CN(CC(C)C)C(=O)c1cc(C(N)=O)cn1C ZINC000128700503 415902174 /nfs/dbraw/zinc/90/21/74/415902174.db2.gz URIJFRAXMQHBCF-UHFFFAOYSA-N 0 0 309.366 0.785 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCC[C@H]1C(N)=O ZINC000129224308 415906388 /nfs/dbraw/zinc/90/63/88/415906388.db2.gz QBTVMONIPMZSSF-FZMZJTMJSA-N 0 0 306.362 0.813 10 0 DCAERN OCCOCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000132982605 415939474 /nfs/dbraw/zinc/93/94/74/415939474.db2.gz KGYNULHZMXEFHF-MRXNPFEDSA-N 0 0 324.421 0.053 10 0 DCAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134379312 415955645 /nfs/dbraw/zinc/95/56/45/415955645.db2.gz VJDWQCSHPQIUGN-GMTAPVOTSA-N 0 0 311.407 0.864 10 0 DCAERN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C)sc1C ZINC000135576585 415960211 /nfs/dbraw/zinc/96/02/11/415960211.db2.gz AQZYBANJVRAIJI-JTQLQIEISA-N 0 0 319.404 0.927 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cscn2)C[C@@H](C)O1 ZINC000141612093 415962036 /nfs/dbraw/zinc/96/20/36/415962036.db2.gz JSOZPMJRYPBHOE-NXEZZACHSA-N 0 0 305.425 0.929 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000153131258 415975670 /nfs/dbraw/zinc/97/56/70/415975670.db2.gz UVCVUSASCZOAMN-GFCCVEGCSA-N 0 0 323.368 0.910 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@H]2CCCn3nc(COC)nc32)CC1=O ZINC000155118359 415992189 /nfs/dbraw/zinc/99/21/89/415992189.db2.gz RYXVOPBXKOCEOQ-QWRGUYRKSA-N 0 0 321.381 0.244 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)Nc1ccc(C(N)=O)nc1 ZINC000155337611 415996396 /nfs/dbraw/zinc/99/63/96/415996396.db2.gz JJLGPOQMZGYULG-UHFFFAOYSA-N 0 0 312.329 0.857 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000155354396 415996486 /nfs/dbraw/zinc/99/64/86/415996486.db2.gz ZLAOOQZTQCYBGU-CHNSCGDPSA-N 0 0 313.427 0.439 10 0 DCAERN COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132999540 415937265 /nfs/dbraw/zinc/93/72/65/415937265.db2.gz XLVUSZHNFMBTNA-NSHDSACASA-N 0 0 308.382 0.393 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3cccnc3)CC2)O1 ZINC000133012795 415938070 /nfs/dbraw/zinc/93/80/70/415938070.db2.gz MFFGBMSLNOJUJV-JSGCOSHPSA-N 0 0 303.362 0.934 10 0 DCAERN Cn1ccc(CNC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000357193582 416043200 /nfs/dbraw/zinc/04/32/00/416043200.db2.gz BAXSBDVPGJSXQQ-UHFFFAOYSA-N 0 0 322.413 0.755 10 0 DCAERN NC(=O)CCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000173013745 416050675 /nfs/dbraw/zinc/05/06/75/416050675.db2.gz MPTWZPUQUVBLPU-ZDUSSCGKSA-N 0 0 303.362 0.069 10 0 DCAERN CNC(=O)c1cccc(C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000173067483 416052309 /nfs/dbraw/zinc/05/23/09/416052309.db2.gz AVYDCZUQXOEKLB-GFCCVEGCSA-N 0 0 305.378 0.497 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000174544335 416079801 /nfs/dbraw/zinc/07/98/01/416079801.db2.gz KJJKXHYVWVHMQO-UHFFFAOYSA-N 0 0 305.313 0.338 10 0 DCAERN CC(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)[C@H](C)C1 ZINC000357297410 416058734 /nfs/dbraw/zinc/05/87/34/416058734.db2.gz CNCCGROVQSVHKJ-KOLCDFICSA-N 0 0 307.316 0.702 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)N3CCC(C)CC3)CCO2)[nH]1 ZINC000173666675 416062091 /nfs/dbraw/zinc/06/20/91/416062091.db2.gz CXAMFORDLUIOKS-ZDUSSCGKSA-N 0 0 307.398 0.745 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)N3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000173670111 416063821 /nfs/dbraw/zinc/06/38/21/416063821.db2.gz FIRMFKPSFRMLKL-WCQYABFASA-N 0 0 307.398 0.745 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000173839960 416065317 /nfs/dbraw/zinc/06/53/17/416065317.db2.gz IJINDWQHOGOGDY-UHFFFAOYSA-N 0 0 321.352 0.588 10 0 DCAERN C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1N1CCOCC1 ZINC000173821598 416066001 /nfs/dbraw/zinc/06/60/01/416066001.db2.gz IPFBGEVGOFPSER-RBSFLKMASA-N 0 0 312.410 0.219 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173892098 416066807 /nfs/dbraw/zinc/06/68/07/416066807.db2.gz WRXYQZHKGWBWNR-KGLIPLIRSA-N 0 0 324.425 0.113 10 0 DCAERN O=C(Cc1cccc(O)c1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000357364438 416068417 /nfs/dbraw/zinc/06/84/17/416068417.db2.gz MRHUIZDFGYLUCG-ZBEGNZNMSA-N 0 0 317.345 0.429 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173892185 416068517 /nfs/dbraw/zinc/06/85/17/416068517.db2.gz WRXYQZHKGWBWNR-ZIAGYGMSSA-N 0 0 324.425 0.113 10 0 DCAERN COCCNC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000173934025 416069275 /nfs/dbraw/zinc/06/92/75/416069275.db2.gz CCCSPJZZNALPAT-UHFFFAOYSA-N 0 0 323.397 0.811 10 0 DCAERN CCOC(=O)[C@H]1CCCN1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338280534 416070913 /nfs/dbraw/zinc/07/09/13/416070913.db2.gz HHMLHAWGQTVQBU-VXGBXAGGSA-N 0 0 304.412 0.295 10 0 DCAERN CSCc1cc(C(=O)NCCNS(C)(=O)=O)ccc1F ZINC000174062787 416071681 /nfs/dbraw/zinc/07/16/81/416071681.db2.gz OPRHIXBWQDKTRH-UHFFFAOYSA-N 0 0 320.411 0.968 10 0 DCAERN Cn1c(CN2CCC[C@H]2CN2CCOCC2)nnc1C1CC1 ZINC000174015905 416072191 /nfs/dbraw/zinc/07/21/91/416072191.db2.gz ZDZLKQSNYNJGKB-AWEZNQCLSA-N 0 0 305.426 0.989 10 0 DCAERN C[C@H](NC(=O)c1cn(CC(N)=O)nn1)c1cccc(Cl)c1 ZINC000174165522 416073664 /nfs/dbraw/zinc/07/36/64/416073664.db2.gz ANKCAYFFMQKPOH-QMMMGPOBSA-N 0 0 307.741 0.908 10 0 DCAERN COC[C@@H](O)CN(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000301078025 416074810 /nfs/dbraw/zinc/07/48/10/416074810.db2.gz JFVLDLOLTBPGDR-ZETCQYMHSA-N 0 0 305.260 0.587 10 0 DCAERN C[C@@H](Nc1ccc2nnnn2n1)C(=O)N1CCc2ccccc21 ZINC000301195750 416078128 /nfs/dbraw/zinc/07/81/28/416078128.db2.gz UEUIVZAFQIHKIV-SNVBAGLBSA-N 0 0 309.333 0.909 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000158858838 416003004 /nfs/dbraw/zinc/00/30/04/416003004.db2.gz VRCRNXTVRSVPGB-LBPRGKRZSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1cn(C2CN(C(=O)Cc3cccc(O)c3)C2)nn1 ZINC000356910827 416004303 /nfs/dbraw/zinc/00/43/03/416004303.db2.gz ILKRGNWZSWWJDR-UHFFFAOYSA-N 0 0 316.317 0.396 10 0 DCAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N(CC(N)=O)CC(N)=O ZINC000161598596 416012366 /nfs/dbraw/zinc/01/23/66/416012366.db2.gz VAEMDTFOWBSSMR-UHFFFAOYSA-N 0 0 302.334 0.198 10 0 DCAERN CN(C)c1noc(CNC(=O)Cn2ncc3ccccc32)n1 ZINC000356982808 416016487 /nfs/dbraw/zinc/01/64/87/416016487.db2.gz NTDATFGHUYTUKH-UHFFFAOYSA-N 0 0 300.322 0.802 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000166819975 416022686 /nfs/dbraw/zinc/02/26/86/416022686.db2.gz RIKJHQKPAPMIPQ-CYBMUJFWSA-N 0 0 303.362 0.925 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000357092053 416032864 /nfs/dbraw/zinc/03/28/64/416032864.db2.gz HDCQSCBVBFNROC-UHFFFAOYSA-N 0 0 303.366 0.871 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000338042013 416038438 /nfs/dbraw/zinc/03/84/38/416038438.db2.gz VRELBDLGLODSST-UHFFFAOYSA-N 0 0 318.333 0.714 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N(C)Cc2nnnn2C)cc1 ZINC000357475814 416086167 /nfs/dbraw/zinc/08/61/67/416086167.db2.gz MVBBUPYRESKLMF-UHFFFAOYSA-N 0 0 310.383 0.097 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCC1(O)CCOCC1)c1ccccc1 ZINC000174806639 416088731 /nfs/dbraw/zinc/08/87/31/416088731.db2.gz SWQARBQJTJBVID-OAHLLOKOSA-N 0 0 320.389 0.912 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174875699 416089058 /nfs/dbraw/zinc/08/90/58/416089058.db2.gz CMOQQEFPHGFDLO-UHFFFAOYSA-N 0 0 321.425 0.159 10 0 DCAERN CC(C)(O)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000174829194 416089128 /nfs/dbraw/zinc/08/91/28/416089128.db2.gz NUXUBYWSLPSJDR-UHFFFAOYSA-N 0 0 305.422 0.691 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000174993035 416092185 /nfs/dbraw/zinc/09/21/85/416092185.db2.gz IDFSHRJENWOLTR-LBPRGKRZSA-N 0 0 316.427 0.148 10 0 DCAERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)[C@H]1CNC(=O)C1 ZINC000174976777 416092227 /nfs/dbraw/zinc/09/22/27/416092227.db2.gz RCGWDZGKVZLERB-SNVBAGLBSA-N 0 0 304.350 0.969 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000175246659 416101482 /nfs/dbraw/zinc/10/14/82/416101482.db2.gz YSUUXOZBQHKRFY-UHFFFAOYSA-N 0 0 311.367 0.486 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(=O)[nH]1 ZINC000175310439 416103259 /nfs/dbraw/zinc/10/32/59/416103259.db2.gz FKKTVXADSGBVKT-CYBMUJFWSA-N 0 0 321.377 0.297 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175556836 416108989 /nfs/dbraw/zinc/10/89/89/416108989.db2.gz CURIUGJTAJRGGO-SNVBAGLBSA-N 0 0 314.349 0.344 10 0 DCAERN COC[C@@H](CO)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000357691910 416115746 /nfs/dbraw/zinc/11/57/46/416115746.db2.gz BPWZNTAIFZHAGY-CYBMUJFWSA-N 0 0 304.346 0.997 10 0 DCAERN COC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C ZINC000357713636 416119762 /nfs/dbraw/zinc/11/97/62/416119762.db2.gz ZSRGQDWWBNAFNH-SECBINFHSA-N 0 0 320.349 0.288 10 0 DCAERN CC(C)Oc1cccnc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000176266212 416123357 /nfs/dbraw/zinc/12/33/57/416123357.db2.gz XDHPRVBBQMTPLZ-LLVKDONJSA-N 0 0 304.350 0.718 10 0 DCAERN Cc1nccn1CCCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000176431785 416126397 /nfs/dbraw/zinc/12/63/97/416126397.db2.gz BQUGOEPDLDODFI-CQSZACIVSA-N 0 0 309.414 0.602 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCOC(C)C)C1 ZINC000357753688 416127555 /nfs/dbraw/zinc/12/75/55/416127555.db2.gz MDPLPBRKJFJBKO-CHWSQXEVSA-N 0 0 300.399 0.992 10 0 DCAERN COCCN1CCN(C(=O)NCc2ccc(C(N)=O)o2)C[C@H]1C ZINC000176641297 416131404 /nfs/dbraw/zinc/13/14/04/416131404.db2.gz CNTUVKYUWHUOEF-LLVKDONJSA-N 0 0 324.381 0.241 10 0 DCAERN O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000176784662 416134340 /nfs/dbraw/zinc/13/43/40/416134340.db2.gz XGCBZBXTVSBNDX-ZIGZJEJWSA-N 0 0 318.377 0.382 10 0 DCAERN CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)[C@H](C)CO)CC1 ZINC000338754457 416135281 /nfs/dbraw/zinc/13/52/81/416135281.db2.gz XNWPAAGUBHSLHL-LLVKDONJSA-N 0 0 321.443 0.211 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-n2cncn2)c1 ZINC000176796897 416135335 /nfs/dbraw/zinc/13/53/35/416135335.db2.gz FGGNDQYVGIAXQA-LBPRGKRZSA-N 0 0 311.345 0.760 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328868451 416136527 /nfs/dbraw/zinc/13/65/27/416136527.db2.gz HGPRVGDCJWEHRE-KFWWJZLASA-N 0 0 323.437 0.565 10 0 DCAERN CC[C@@H](NC(=O)Nc1c(C)nn(C)c1C)C(=O)N1CCOCC1 ZINC000357830756 416137739 /nfs/dbraw/zinc/13/77/39/416137739.db2.gz RDCVXHAPBRFCMZ-GFCCVEGCSA-N 0 0 323.397 0.796 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@@H]1CCCO1 ZINC000177046578 416139735 /nfs/dbraw/zinc/13/97/35/416139735.db2.gz JECBCGWVHIMKBA-NEPJUHHUSA-N 0 0 300.399 0.944 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)CCO1 ZINC000357872721 416145177 /nfs/dbraw/zinc/14/51/77/416145177.db2.gz ZVLXXNYLDUXIKM-MRVPVSSYSA-N 0 0 302.327 0.334 10 0 DCAERN COCCOC[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357880789 416146315 /nfs/dbraw/zinc/14/63/15/416146315.db2.gz QPESYDKTYDJVON-VXGBXAGGSA-N 0 0 301.387 0.300 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC(C)(O)CC3)C2)cn1 ZINC000177534683 416148522 /nfs/dbraw/zinc/14/85/22/416148522.db2.gz FIPOTQODAWZERH-ZDUSSCGKSA-N 0 0 321.425 0.945 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)[S@@](=O)Cc1nnnn1C(C)C ZINC000177937908 416154795 /nfs/dbraw/zinc/15/47/95/416154795.db2.gz IBIDZQCJNOMXBK-AUKWLOTRSA-N 0 0 301.416 0.806 10 0 DCAERN CN1CC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)ncn2)C1=O ZINC000301339021 416081260 /nfs/dbraw/zinc/08/12/60/416081260.db2.gz DGTIERDOWDDCEO-VXGBXAGGSA-N 0 0 305.382 0.328 10 0 DCAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178611768 416166177 /nfs/dbraw/zinc/16/61/77/416166177.db2.gz ROQFFRPSDSLTSG-AAOUONPWSA-N 0 0 323.828 0.511 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2ccc(C(N)=O)cc2)cn1 ZINC000178893628 416175755 /nfs/dbraw/zinc/17/57/55/416175755.db2.gz XIKYYNJLUQPGGQ-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000178963349 416179439 /nfs/dbraw/zinc/17/94/39/416179439.db2.gz VBPWYDXUYQNZHQ-HNNXBMFYSA-N 0 0 316.405 0.304 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000179089079 416182245 /nfs/dbraw/zinc/18/22/45/416182245.db2.gz JAQLHQLKULZYME-SMDDNHRTSA-N 0 0 306.362 0.731 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000329659519 416184430 /nfs/dbraw/zinc/18/44/30/416184430.db2.gz OCHBWIMLLMEKLW-MGPQQGTHSA-N 0 0 314.451 0.896 10 0 DCAERN C[C@@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000179261638 416184767 /nfs/dbraw/zinc/18/47/67/416184767.db2.gz ZYSAJMOEIZLTTK-GFCCVEGCSA-N 0 0 318.439 0.543 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179479192 416188571 /nfs/dbraw/zinc/18/85/71/416188571.db2.gz IAZOVVBRQLKYJI-GFCCVEGCSA-N 0 0 323.418 0.563 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)Nc2c[nH]nc2-c2ccccc2)CCO1 ZINC000179504686 416189253 /nfs/dbraw/zinc/18/92/53/416189253.db2.gz HOBPNFDPNBRVMY-LBPRGKRZSA-N 0 0 315.333 0.795 10 0 DCAERN CCc1ccnc(CNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)c1 ZINC000358078293 416189937 /nfs/dbraw/zinc/18/99/37/416189937.db2.gz PVDJRVZGVZTRNN-JSGCOSHPSA-N 0 0 305.378 0.944 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2nncn2c1 ZINC000179628961 416190744 /nfs/dbraw/zinc/19/07/44/416190744.db2.gz SEIZGLGZVZYCEP-SNVBAGLBSA-N 0 0 305.363 0.979 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000179694979 416192137 /nfs/dbraw/zinc/19/21/37/416192137.db2.gz MDPZGTVOUGWHOD-OCCSQVGLSA-N 0 0 311.403 0.974 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccccn2)n1 ZINC000180199213 416194476 /nfs/dbraw/zinc/19/44/76/416194476.db2.gz MPOHUCBGIOTGPA-LLVKDONJSA-N 0 0 318.358 0.531 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N[C@@H](C(=O)NC)C(C)C)n(C)n1 ZINC000180777302 416201174 /nfs/dbraw/zinc/20/11/74/416201174.db2.gz OYILLIWGRKVCTI-GFCCVEGCSA-N 0 0 323.397 0.198 10 0 DCAERN COC(=O)N(C)CCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181410409 416207583 /nfs/dbraw/zinc/20/75/83/416207583.db2.gz VATHIGWABXPZMJ-ZDUSSCGKSA-N 0 0 323.397 0.371 10 0 DCAERN CC1=CCN(CCNC(=O)N[C@H](C)CS(C)(=O)=O)CC1 ZINC000358188683 416207673 /nfs/dbraw/zinc/20/76/73/416207673.db2.gz LLLBJRAZQNTVQZ-GFCCVEGCSA-N 0 0 303.428 0.371 10 0 DCAERN CCOC(=O)[C@@H](NC(=O)Cn1nc(C)cc1C)[C@@H]1CCCOC1 ZINC000358189387 416209340 /nfs/dbraw/zinc/20/93/40/416209340.db2.gz IDFODLQKOPNNHX-HIFRSBDPSA-N 0 0 323.393 0.974 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181729765 416211362 /nfs/dbraw/zinc/21/13/62/416211362.db2.gz QGDJBDKBOORXSU-GHMZBOCLSA-N 0 0 316.427 0.671 10 0 DCAERN Cc1ccc(C[N@H+](CCO)C[C@@H](O)CN2CCOCC2)cc1 ZINC000181983826 416213202 /nfs/dbraw/zinc/21/32/02/416213202.db2.gz LLWWKKIIBCIWRG-KRWDZBQOSA-N 0 0 308.422 0.482 10 0 DCAERN O=C(CNC(=O)N1CCC(c2cc[nH]n2)CC1)NCC1CC1 ZINC000182032123 416214697 /nfs/dbraw/zinc/21/46/97/416214697.db2.gz WXVYBAHNVDEONB-UHFFFAOYSA-N 0 0 305.382 0.825 10 0 DCAERN Cn1nnc2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc21 ZINC000182286339 416218279 /nfs/dbraw/zinc/21/82/79/416218279.db2.gz AQXRUXVPGHVPFJ-CYBMUJFWSA-N 0 0 308.363 0.275 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000358272781 416219456 /nfs/dbraw/zinc/21/94/56/416219456.db2.gz ZDENTQYAVUJKJN-SMDDNHRTSA-N 0 0 319.423 0.464 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000358272774 416219590 /nfs/dbraw/zinc/21/95/90/416219590.db2.gz ZDENTQYAVUJKJN-RISCZKNCSA-N 0 0 319.423 0.464 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000182361407 416219994 /nfs/dbraw/zinc/21/99/94/416219994.db2.gz WNICPVNLJONIPE-QZXWKGOOSA-N 0 0 303.428 0.454 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCc2ccncc2)c1 ZINC000358299236 416222190 /nfs/dbraw/zinc/22/21/90/416222190.db2.gz WBPARWAUKLSYPP-UHFFFAOYSA-N 0 0 319.386 0.962 10 0 DCAERN Cc1cc(N2CCC[C@@H](NCc3csnn3)C2=O)n(C)n1 ZINC000182483956 416223915 /nfs/dbraw/zinc/22/39/15/416223915.db2.gz CUEPKCNSLAEKDX-LLVKDONJSA-N 0 0 306.395 0.865 10 0 DCAERN O=C(COCCNC(=O)c1ccccc1)NC[C@H](CO)C1CC1 ZINC000358334151 416224435 /nfs/dbraw/zinc/22/44/35/416224435.db2.gz IRGHEXZUGFDUSS-OAHLLOKOSA-N 0 0 320.389 0.568 10 0 DCAERN CCN1CCN(c2ccc(C(=O)N[C@@H](C)C(N)=O)cc2F)CC1 ZINC000182511208 416224697 /nfs/dbraw/zinc/22/46/97/416224697.db2.gz ZETILJANSDIEIP-NSHDSACASA-N 0 0 322.384 0.571 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)NCCCc2ccccn2)CCO1 ZINC000182728339 416229923 /nfs/dbraw/zinc/22/99/23/416229923.db2.gz XSIILHROVKXNLC-ZDUSSCGKSA-N 0 0 306.366 0.171 10 0 DCAERN CCS(=O)(=O)NCCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182698850 416230215 /nfs/dbraw/zinc/23/02/15/416230215.db2.gz HHDRZKCCQAKIMP-LLVKDONJSA-N 0 0 301.416 0.661 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCCn1ccnc1 ZINC000182788234 416230791 /nfs/dbraw/zinc/23/07/91/416230791.db2.gz BBZBBEPQFRJOBX-UHFFFAOYSA-N 0 0 306.326 0.615 10 0 DCAERN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1COCCN1 ZINC000178413095 416163433 /nfs/dbraw/zinc/16/34/33/416163433.db2.gz FZEQHNFCFSVMMQ-CQSZACIVSA-N 0 0 323.368 0.279 10 0 DCAERN Cn1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)n1 ZINC000183429261 416242218 /nfs/dbraw/zinc/24/22/18/416242218.db2.gz PZGXSSXZUZWEAM-UHFFFAOYSA-N 0 0 300.366 0.492 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000358514011 416247619 /nfs/dbraw/zinc/24/76/19/416247619.db2.gz NEORBUACLFXSJV-INIZCTEOSA-N 0 0 317.345 0.835 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@@H](C)[C@H]2C(N)=O)CC1 ZINC000348857641 416248352 /nfs/dbraw/zinc/24/83/52/416248352.db2.gz CLYJLBJKTKTXQL-XKGSQUFQSA-N 0 0 312.366 0.067 10 0 DCAERN CCOC(=O)[C@@](C)(O)CNC(=O)Cn1ncc2ccccc21 ZINC000358532231 416251478 /nfs/dbraw/zinc/25/14/78/416251478.db2.gz LKXGIHBRQUXAEJ-HNNXBMFYSA-N 0 0 305.334 0.467 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(O)c2)CC1 ZINC000184924803 416251750 /nfs/dbraw/zinc/25/17/50/416251750.db2.gz IPIZYLYAZRSCSE-AWEZNQCLSA-N 0 0 307.394 0.990 10 0 DCAERN CNC(=O)NC(=O)CN1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000184751332 416251773 /nfs/dbraw/zinc/25/17/73/416251773.db2.gz XLGKKBBAYAUBGX-ZDUSSCGKSA-N 0 0 322.340 0.063 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000185031071 416252402 /nfs/dbraw/zinc/25/24/02/416252402.db2.gz BKAMKLUOZDQIIN-DTWKUNHWSA-N 0 0 302.318 0.715 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1ncoc1C ZINC000331100518 416263938 /nfs/dbraw/zinc/26/39/38/416263938.db2.gz OKFGONQXFJUOLP-KOLCDFICSA-N 0 0 302.352 0.744 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000189742455 416269900 /nfs/dbraw/zinc/26/99/00/416269900.db2.gz JWTGALVQHFVDBW-QMMMGPOBSA-N 0 0 308.338 0.173 10 0 DCAERN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)cn1 ZINC000189933561 416271852 /nfs/dbraw/zinc/27/18/52/416271852.db2.gz DPQPOWKMGCJSEH-GXFFZTMASA-N 0 0 306.366 0.776 10 0 DCAERN COCCOC[C@@H](C)NC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000358727274 416273386 /nfs/dbraw/zinc/27/33/86/416273386.db2.gz VFRNUCLPLDUXEQ-LLVKDONJSA-N 0 0 311.382 0.989 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)ncn1 ZINC000190270229 416277371 /nfs/dbraw/zinc/27/73/71/416277371.db2.gz ZROMJPNZZPUOIP-CHWSQXEVSA-N 0 0 320.393 0.949 10 0 DCAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)O2 ZINC000183123825 416236247 /nfs/dbraw/zinc/23/62/47/416236247.db2.gz QJJBJPMKBAAHMA-BWAOXVRWSA-N 0 0 310.394 0.951 10 0 DCAERN CO[C@](C)(C(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1F ZINC000192181541 416301891 /nfs/dbraw/zinc/30/18/91/416301891.db2.gz VZEQTXQKWOKQPK-ABAIWWIYSA-N 0 0 308.309 0.609 10 0 DCAERN Cn1cnc(S(=O)(=O)NCC2(C)OCCCO2)c1Cl ZINC000192222685 416302371 /nfs/dbraw/zinc/30/23/71/416302371.db2.gz RNBYMMJZJDMKIT-UHFFFAOYSA-N 0 0 309.775 0.505 10 0 DCAERN CC(=O)N1CCN(C(=O)NC2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000359081481 416305416 /nfs/dbraw/zinc/30/54/16/416305416.db2.gz UDDZDSAAUBKOIO-QFWMXSHPSA-N 0 0 310.398 0.293 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000192644964 416309288 /nfs/dbraw/zinc/30/92/88/416309288.db2.gz XOGYMYJLCMYMIC-RISCZKNCSA-N 0 0 306.362 0.840 10 0 DCAERN Cc1nnc([C@@H]2Cc3ccccc3CN2CC(=O)NC(N)=O)o1 ZINC000193868912 416319858 /nfs/dbraw/zinc/31/98/58/416319858.db2.gz ALMKDHLMVNNAMF-LBPRGKRZSA-N 0 0 315.333 0.672 10 0 DCAERN CCc1cc(NC(=O)C(=O)N(C)CC(C)(CO)CO)ccc1C ZINC000190553383 416279720 /nfs/dbraw/zinc/27/97/20/416279720.db2.gz MTYBHGARLLZRBD-UHFFFAOYSA-N 0 0 322.405 0.945 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ncc(CC)s2)C1 ZINC000190683498 416281238 /nfs/dbraw/zinc/28/12/38/416281238.db2.gz YMCFIOLKZRYWEX-UHFFFAOYSA-N 0 0 310.379 0.239 10 0 DCAERN CC(C)N(C)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000190756569 416281883 /nfs/dbraw/zinc/28/18/83/416281883.db2.gz WRZKDFIXKSSKHH-UHFFFAOYSA-N 0 0 303.370 0.707 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ncc(C(C)C)s2)CC1=O ZINC000190870194 416283783 /nfs/dbraw/zinc/28/37/83/416283783.db2.gz VYJPDNZMTKNLAA-UHFFFAOYSA-N 0 0 310.379 0.853 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)CC[C@@H]1C ZINC000191300123 416284130 /nfs/dbraw/zinc/28/41/30/416284130.db2.gz NEWAVNLOQWHDGB-CMPLNLGQSA-N 0 0 321.377 0.516 10 0 DCAERN C[C@H](O)[C@](C)(CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 ZINC000192031944 416296683 /nfs/dbraw/zinc/29/66/83/416296683.db2.gz KFUMTJVKLRNKBG-QEORTHHSSA-N 0 0 304.390 0.869 10 0 DCAERN O=C(NCCCOC1CCOCC1)NC[C@H](CO)C1CC1 ZINC000358952203 416297150 /nfs/dbraw/zinc/29/71/50/416297150.db2.gz XFNDNWHMWKTXID-CYBMUJFWSA-N 0 0 300.399 0.890 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262958193 416337121 /nfs/dbraw/zinc/33/71/21/416337121.db2.gz JSNXRVWICBEZFG-GFCCVEGCSA-N 0 0 306.428 0.987 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)Nc1ccc(N(C)C)nc1 ZINC000359676520 416352773 /nfs/dbraw/zinc/35/27/73/416352773.db2.gz LOAJBGCMTIPLHV-CQSZACIVSA-N 0 0 310.354 0.583 10 0 DCAERN O=C(CNS(=O)(=O)c1cccs1)NC[C@@H](CO)C1CC1 ZINC000359778741 416357717 /nfs/dbraw/zinc/35/77/17/416357717.db2.gz QWOVELGDVDJUEQ-JTQLQIEISA-N 0 0 318.420 0.161 10 0 DCAERN Cn1cc(NC(=O)NCc2cccc(C(N)=O)c2)ccc1=O ZINC000194774142 416323997 /nfs/dbraw/zinc/32/39/97/416323997.db2.gz QQRIQEMMDAZPOA-UHFFFAOYSA-N 0 0 300.318 0.806 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)o1 ZINC000195016676 416325243 /nfs/dbraw/zinc/32/52/43/416325243.db2.gz AOLJYEZMXSGHKT-HNNXBMFYSA-N 0 0 305.334 0.965 10 0 DCAERN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(C2CC2)CC1 ZINC000195131168 416325298 /nfs/dbraw/zinc/32/52/98/416325298.db2.gz JPOQJBABNVYVSK-UHFFFAOYSA-N 0 0 302.334 0.745 10 0 DCAERN CC1=C(C(=O)N[C@H]2CCC(=O)N(C)C2)[C@H](C)n2ncnc2N1C ZINC000195273939 416325735 /nfs/dbraw/zinc/32/57/35/416325735.db2.gz WOAKWNDUVRNPKI-QWRGUYRKSA-N 0 0 318.381 0.300 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N1CCCNC(=O)[C@H]1C ZINC000195468530 416326647 /nfs/dbraw/zinc/32/66/47/416326647.db2.gz RVSRRXKDYSMMBP-LLVKDONJSA-N 0 0 312.391 0.903 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3csc(CN)n3)C2)cn1 ZINC000237690081 416328475 /nfs/dbraw/zinc/32/84/75/416328475.db2.gz HQWKKPZGAYTPJK-SNVBAGLBSA-N 0 0 320.422 0.734 10 0 DCAERN CC(=O)N1CCC(CNc2nccn(C(F)F)c2=O)CC1 ZINC000360905269 416416064 /nfs/dbraw/zinc/41/60/64/416416064.db2.gz YQDXIZLPEVQMSF-UHFFFAOYSA-N 0 0 300.309 1.309 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000360166492 416376695 /nfs/dbraw/zinc/37/66/95/416376695.db2.gz YLSDGILAUHJKDS-SUNKGSAMSA-N 0 0 300.424 0.618 10 0 DCAERN COCC[C@H](NC(=O)C(=O)N1CC[C@H](CO)[C@@H]1C)c1ccco1 ZINC000360739935 416406717 /nfs/dbraw/zinc/40/67/17/416406717.db2.gz RPHAIDLOUAVHHC-XQQFMLRXSA-N 0 0 324.377 0.703 10 0 DCAERN COCCC1(CNC(=O)C(=O)N(C)CCCO)CCCCC1 ZINC000360788427 416410125 /nfs/dbraw/zinc/41/01/25/416410125.db2.gz UPPYNZFYGKSLNC-UHFFFAOYSA-N 0 0 314.426 0.930 10 0 DCAERN CN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)C1CC(O)C1 ZINC000360784342 416410287 /nfs/dbraw/zinc/41/02/87/416410287.db2.gz VPVMZJUTPXLAFG-UHFFFAOYSA-N 0 0 317.389 0.317 10 0 DCAERN Cc1ccc(C[C@H](C)NC(=O)NC[C@@H](O)Cn2ccnn2)s1 ZINC000458436534 416468052 /nfs/dbraw/zinc/46/80/52/416468052.db2.gz PKZHERAWPZAFOH-CMPLNLGQSA-N 0 0 323.422 0.939 10 0 DCAERN CN(Cc1nnnn1C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000533023529 416470647 /nfs/dbraw/zinc/47/06/47/416470647.db2.gz KSJMEJUZSOGUMJ-AWEZNQCLSA-N 0 0 300.366 0.662 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)Cc1cccs1 ZINC000458454111 416471161 /nfs/dbraw/zinc/47/11/61/416471161.db2.gz ZFRFPNOZVUFKJT-VXGBXAGGSA-N 0 0 323.422 0.879 10 0 DCAERN Cn1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2ncccn2)cn1 ZINC000583624095 416480234 /nfs/dbraw/zinc/48/02/34/416480234.db2.gz UKUCQWRTXRNQOY-STQMWFEESA-N 0 0 318.356 0.553 10 0 DCAERN Cn1c(NCCOCC2CCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000583667698 416481820 /nfs/dbraw/zinc/48/18/20/416481820.db2.gz NOZHPOKXQZOIIO-UHFFFAOYSA-N 0 0 307.354 0.601 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@H](CC)C(C)(C)O)C1 ZINC000458552279 416482004 /nfs/dbraw/zinc/48/20/04/416482004.db2.gz VTRWAXDFXFHIAG-WDEREUQCSA-N 0 0 300.403 0.639 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000361512473 416443332 /nfs/dbraw/zinc/44/33/32/416443332.db2.gz ZDBWTKVWEYWCBC-GRYCIOLGSA-N 0 0 323.397 0.862 10 0 DCAERN C[C@H](C(=O)NCC[C@@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000361919697 416522726 /nfs/dbraw/zinc/52/27/26/416522726.db2.gz UCWRRSJTLJZURM-GHMZBOCLSA-N 0 0 313.375 0.766 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459229737 416528758 /nfs/dbraw/zinc/52/87/58/416528758.db2.gz IWDQLPKGHUDETA-VHRBIJSZSA-N 0 0 319.340 0.633 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000361944060 416529129 /nfs/dbraw/zinc/52/91/29/416529129.db2.gz GHEZWCSLSQCAQD-MNOVXSKESA-N 0 0 324.381 0.090 10 0 DCAERN CCOc1ccccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459297210 416530789 /nfs/dbraw/zinc/53/07/89/416530789.db2.gz FYIFPZDMYBCPCW-LLVKDONJSA-N 0 0 305.338 0.859 10 0 DCAERN NC(=O)N[C@@H](CC(=O)N1CC[C@@H](NC(N)=O)C1)c1ccccc1 ZINC000536525421 416541208 /nfs/dbraw/zinc/54/12/08/416541208.db2.gz IRIBWHRMIQQWCG-NEPJUHHUSA-N 0 0 319.365 0.055 10 0 DCAERN COc1cccc(COCC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000536522563 416542090 /nfs/dbraw/zinc/54/20/90/416542090.db2.gz LQFOUXNJQZTKKW-GFCCVEGCSA-N 0 0 307.350 0.481 10 0 DCAERN CN(C)c1nccc(N2CCN([C@@H]3CCCN(C)C3=O)CC2)n1 ZINC000537610213 416560078 /nfs/dbraw/zinc/56/00/78/416560078.db2.gz IRTYOOSPMDJEAT-CYBMUJFWSA-N 0 0 318.425 0.285 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCOC3)no2)CCCC1 ZINC000434886782 416503105 /nfs/dbraw/zinc/50/31/05/416503105.db2.gz HRYIZOZWLVKZJC-SNVBAGLBSA-N 0 0 307.350 1.350 10 0 DCAERN O=C(NCCNc1cc[nH+]cc1)c1ccc(N2CCCC2)nn1 ZINC000534523862 416504506 /nfs/dbraw/zinc/50/45/06/416504506.db2.gz RBTUFRKIFQZXOC-UHFFFAOYSA-N 0 0 312.377 0.736 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000361851018 416508240 /nfs/dbraw/zinc/50/82/40/416508240.db2.gz MGKHDJGCXBQMLJ-JTQLQIEISA-N 0 0 321.381 0.219 10 0 DCAERN CCc1csc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)n1 ZINC000435051396 416509456 /nfs/dbraw/zinc/50/94/56/416509456.db2.gz YNIOIOPMPLHOLK-VIFPVBQESA-N 0 0 324.406 0.723 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)Nc1cn(C)nc1C(C)C ZINC000435187848 416511104 /nfs/dbraw/zinc/51/11/04/416511104.db2.gz KRFZMQHXEBSBRQ-CQSZACIVSA-N 0 0 312.370 0.979 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000361872714 416515802 /nfs/dbraw/zinc/51/58/02/416515802.db2.gz INYBKXMRACVOPN-GHMZBOCLSA-N 0 0 324.381 0.090 10 0 DCAERN COc1cc(OC)cc(C(=O)NCCn2cnccc2=O)c1 ZINC000585238007 416519775 /nfs/dbraw/zinc/51/97/75/416519775.db2.gz DEHTXRJPDIEUIB-UHFFFAOYSA-N 0 0 303.318 0.691 10 0 DCAERN Cc1nnc(CNC(=O)N2CCSC[C@H]2CCO)s1 ZINC000540955359 416598807 /nfs/dbraw/zinc/59/88/07/416598807.db2.gz UVQNLWDTPPVHRN-SECBINFHSA-N 0 0 302.425 0.856 10 0 DCAERN O=C(c1ccnc(-n2cccn2)c1)N1CCN2CCOC[C@H]2C1 ZINC000541747987 416611835 /nfs/dbraw/zinc/61/18/35/416611835.db2.gz RVAXNDBUYDBIBQ-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)Nc3cnc(C)nc3)CC2)[nH]1 ZINC000541749985 416612382 /nfs/dbraw/zinc/61/23/82/416612382.db2.gz CKDLVTCBYLIMCW-UHFFFAOYSA-N 0 0 316.369 0.561 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)C(=O)Nc2cc(C)n(C)n2)n1 ZINC000439487292 416613165 /nfs/dbraw/zinc/61/31/65/416613165.db2.gz QJBAZTFJQQVGHB-SECBINFHSA-N 0 0 307.379 1.309 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1cc(C)nc(C2CC2)n1 ZINC000362669003 416569322 /nfs/dbraw/zinc/56/93/22/416569322.db2.gz SWQPAXVWEJOCPR-QWRGUYRKSA-N 0 0 320.393 1.531 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCSC[C@@H]1CCO ZINC000539312144 416578499 /nfs/dbraw/zinc/57/84/99/416578499.db2.gz FJHSRBPUXPDLAG-RYUDHWBXSA-N 0 0 310.423 0.776 10 0 DCAERN Cc1nc(C)c(NC(=O)C(=O)N(C)[C@H](C)C[S@@](C)=O)s1 ZINC000442019873 416685124 /nfs/dbraw/zinc/68/51/24/416685124.db2.gz DECLPGAWUCVDPF-JLPJYYFKSA-N 0 0 317.436 0.924 10 0 DCAERN NC(=O)c1cccc(NC(=O)C(=O)N2CCCC23CCC3)n1 ZINC000514910516 416682397 /nfs/dbraw/zinc/68/23/97/416682397.db2.gz SEFISTRCPXUDHA-UHFFFAOYSA-N 0 0 302.334 0.664 10 0 DCAERN c1cc(NCCOC[C@H]2CCCO2)nc(N2CCOCC2)n1 ZINC000542765177 416630009 /nfs/dbraw/zinc/63/00/09/416630009.db2.gz CPYTWHORPUKSPV-CYBMUJFWSA-N 0 0 308.382 0.921 10 0 DCAERN CCc1nc(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)co1 ZINC000543444520 416641211 /nfs/dbraw/zinc/64/12/11/416641211.db2.gz WSGQAYFVNUYRPD-UHFFFAOYSA-N 0 0 304.354 0.622 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCOCC[C@H]1C ZINC000367752348 416651452 /nfs/dbraw/zinc/65/14/52/416651452.db2.gz FRBNFQUODBEMAO-NEPJUHHUSA-N 0 0 320.411 0.370 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC000440945289 416654082 /nfs/dbraw/zinc/65/40/82/416654082.db2.gz APILGIPNMSZUOX-LLVKDONJSA-N 0 0 321.381 0.609 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000440942656 416654332 /nfs/dbraw/zinc/65/43/32/416654332.db2.gz GFXCRIONQVFMEZ-QWRGUYRKSA-N 0 0 321.381 0.136 10 0 DCAERN CNC(=O)Cc1noc(CN2C[C@H](OC)Cc3ccccc32)n1 ZINC000368529013 416664963 /nfs/dbraw/zinc/66/49/63/416664963.db2.gz XDMLUEGQKSDENE-GFCCVEGCSA-N 0 0 316.361 0.936 10 0 DCAERN CCc1nc(C(C)(C)NCC(=O)N[C@H](C)C(=O)N(C)C)no1 ZINC000441235814 416666184 /nfs/dbraw/zinc/66/61/84/416666184.db2.gz TYBYIYHKWGXEDJ-SECBINFHSA-N 0 0 311.386 0.050 10 0 DCAERN CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)N1CCC[C@@H]1C ZINC000545318915 416673139 /nfs/dbraw/zinc/67/31/39/416673139.db2.gz JLGSPIVXXAIGFB-QWRGUYRKSA-N 0 0 322.452 0.696 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC23CCC3)n1 ZINC000441526171 416674946 /nfs/dbraw/zinc/67/49/46/416674946.db2.gz SRESPGOOBYYVHT-LLVKDONJSA-N 0 0 306.366 1.184 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N1CCCN(C)C(=O)C1 ZINC000368620020 416676053 /nfs/dbraw/zinc/67/60/53/416676053.db2.gz VMUDIRCQHVODLD-UHFFFAOYSA-N 0 0 317.798 0.896 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442098323 416685505 /nfs/dbraw/zinc/68/55/05/416685505.db2.gz ZAXSEQWXTAOKGK-NSHDSACASA-N 0 0 309.391 0.655 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000442256724 416689107 /nfs/dbraw/zinc/68/91/07/416689107.db2.gz SLWCOBSDTIRUOA-MNOVXSKESA-N 0 0 307.398 0.526 10 0 DCAERN CN(CCCO)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000443006419 416724282 /nfs/dbraw/zinc/72/42/82/416724282.db2.gz YNEWRNMADUNAGK-UHFFFAOYSA-N 0 0 305.334 0.193 10 0 DCAERN COCCn1cc2c(n1)[C@@H](NC(=O)N(C)CCCO)CCC2 ZINC000369122105 416726664 /nfs/dbraw/zinc/72/66/64/416726664.db2.gz NFQNBRUEYLEWIH-ZDUSSCGKSA-N 0 0 310.398 0.931 10 0 DCAERN COCCOc1ccc(F)cc1S(=O)(=O)N(C)CCCO ZINC000443103176 416732999 /nfs/dbraw/zinc/73/29/99/416732999.db2.gz QSNYQONONDHFNA-UHFFFAOYSA-N 0 0 321.370 0.854 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc(N3CCNC3=O)cc2)cn1 ZINC000558603867 416780034 /nfs/dbraw/zinc/78/00/34/416780034.db2.gz RPDNRKZUWSTRDQ-UHFFFAOYSA-N 0 0 315.333 0.967 10 0 DCAERN CN(C)c1ncncc1NC(=O)C(=O)NCCOCC1CCC1 ZINC000558654098 416784735 /nfs/dbraw/zinc/78/47/35/416784735.db2.gz LXRYOMWIMNBXTB-UHFFFAOYSA-N 0 0 321.381 0.414 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000369543947 416791354 /nfs/dbraw/zinc/79/13/54/416791354.db2.gz OBEDDIRXCHRKTA-AWEZNQCLSA-N 0 0 323.418 0.968 10 0 DCAERN COC(=O)c1cc(C)nc(NCC(=O)NC2CCCCC2)n1 ZINC000559689687 416822278 /nfs/dbraw/zinc/82/22/78/416822278.db2.gz XHGXUDKXHJUSFG-UHFFFAOYSA-N 0 0 306.366 1.432 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCC(=O)NCC1CC1 ZINC000370012130 416868980 /nfs/dbraw/zinc/86/89/80/416868980.db2.gz WJZBBNWWEQNPBE-GFCCVEGCSA-N 0 0 305.382 0.623 10 0 DCAERN CN(CCCO)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000518677824 416869023 /nfs/dbraw/zinc/86/90/23/416869023.db2.gz GSUBRRBXJSTGAQ-UHFFFAOYSA-N 0 0 320.349 0.585 10 0 DCAERN Cn1cc([C@H](NC(=O)N(CCO)CCCO)C(F)(F)F)cn1 ZINC000446473953 416929818 /nfs/dbraw/zinc/92/98/18/416929818.db2.gz BCVYCNQRRGLVTF-JTQLQIEISA-N 0 0 324.303 0.410 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000447761279 417028004 /nfs/dbraw/zinc/02/80/04/417028004.db2.gz UMBUGRUDVOSBCV-MRXNPFEDSA-N 0 0 315.329 0.703 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000374315273 416980073 /nfs/dbraw/zinc/98/00/73/416980073.db2.gz YFDQFBVTWHRYJL-GFCCVEGCSA-N 0 0 306.366 0.619 10 0 DCAERN Cc1cc(C)n(-c2ccc(N3CCN4CCOC[C@H]4C3)nn2)n1 ZINC000374914711 416988747 /nfs/dbraw/zinc/98/87/47/416988747.db2.gz SOILWKHCYMSREN-CQSZACIVSA-N 0 0 314.393 0.800 10 0 DCAERN CC[C@@H]1CN(C[C@H](O)COC[C@@H]2CCCO2)C[C@H](C)[S@]1=O ZINC000521083763 416992563 /nfs/dbraw/zinc/99/25/63/416992563.db2.gz USBZLRLLEYMCAC-IWUMFLKFSA-N 0 0 319.467 0.774 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCOCC[C@@H]2C)CC1 ZINC000374991450 416992678 /nfs/dbraw/zinc/99/26/78/416992678.db2.gz RBRDAZHWWYAAEB-NSHDSACASA-N 0 0 320.411 0.227 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H](CO)CC(F)F ZINC000429906328 417004798 /nfs/dbraw/zinc/00/47/98/417004798.db2.gz XCBVQQGPPSCOFN-YFKPBYRVSA-N 0 0 303.718 0.368 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccnc(C)c1 ZINC000447569574 417008067 /nfs/dbraw/zinc/00/80/67/417008067.db2.gz CJRQSMYQNGVTGH-WDEREUQCSA-N 0 0 307.350 0.576 10 0 DCAERN NS(=O)(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000616615426 417083667 /nfs/dbraw/zinc/08/36/67/417083667.db2.gz OCSDLZUGYFHJED-NSHDSACASA-N 0 0 304.393 0.476 10 0 DCAERN Nc1cccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616604704 417084321 /nfs/dbraw/zinc/08/43/21/417084321.db2.gz MOBFEZUGARRVBG-AWEZNQCLSA-N 0 0 318.402 0.999 10 0 DCAERN Nc1cc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000616638009 417086055 /nfs/dbraw/zinc/08/60/55/417086055.db2.gz FGSORRBWYUTYCB-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1CN(S(N)(=O)=O)CCN1 ZINC000616650860 417086836 /nfs/dbraw/zinc/08/68/36/417086836.db2.gz COBNCCWSCIVHSY-GFCCVEGCSA-N 0 0 313.379 0.013 10 0 DCAERN COC(=O)[C@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616646832 417087546 /nfs/dbraw/zinc/08/75/46/417087546.db2.gz WUNWMCXPILVHRE-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN CN(C(=O)OC(C)(C)C)[C@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616664860 417090150 /nfs/dbraw/zinc/09/01/50/417090150.db2.gz CAHLSFVUBQICMH-SECBINFHSA-N 0 0 309.388 0.105 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616666622 417093952 /nfs/dbraw/zinc/09/39/52/417093952.db2.gz NPFSBYAIRKBRHP-JTQLQIEISA-N 0 0 308.400 0.562 10 0 DCAERN CC(=O)C1(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)CC1 ZINC000632449266 417095385 /nfs/dbraw/zinc/09/53/85/417095385.db2.gz YASWHJKUTDCXIX-UHFFFAOYSA-N 0 0 313.379 0.127 10 0 DCAERN COC[C@H](NC(=O)Cn1cc(C(C)=O)nn1)c1ccccc1 ZINC000448879046 417104136 /nfs/dbraw/zinc/10/41/36/417104136.db2.gz WYQOJPQQZDXTOV-AWEZNQCLSA-N 0 0 302.334 0.985 10 0 DCAERN CC(=O)N1CCC(NS(=O)(=O)[C@H]2COC(C)(C)C2)CC1 ZINC000624805487 417116831 /nfs/dbraw/zinc/11/68/31/417116831.db2.gz NOUQIEUVRHUICR-GFCCVEGCSA-N 0 0 304.412 0.484 10 0 DCAERN O=C(c1nscc1Br)N1CCC[C@@](O)(CO)C1 ZINC000404963874 417121083 /nfs/dbraw/zinc/12/10/83/417121083.db2.gz WJVHHEZUVRURSB-JTQLQIEISA-N 0 0 321.196 0.865 10 0 DCAERN CC(C)N1CCC[C@@H](N2CCC[C@@H]2CS(N)(=O)=O)C1=O ZINC000407950746 417127979 /nfs/dbraw/zinc/12/79/79/417127979.db2.gz DHVLPYNKFVIKTQ-VXGBXAGGSA-N 0 0 303.428 0.139 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)CC1=O ZINC000408460943 417163094 /nfs/dbraw/zinc/16/30/94/417163094.db2.gz SGDLXXVKCPPMNE-QWHCGFSZSA-N 0 0 318.439 0.684 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC000408355636 417155723 /nfs/dbraw/zinc/15/57/23/417155723.db2.gz TTWJUTGMLQWDCK-GJZGRUSLSA-N 0 0 315.373 0.294 10 0 DCAERN Cc1nc2ccc(C(=O)N3CC[C@H](NC(N)=O)C3)cc2n1C ZINC000527002784 417199397 /nfs/dbraw/zinc/19/93/97/417199397.db2.gz KAVGDGSQANLMTH-NSHDSACASA-N 0 0 301.350 0.765 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)CC2 ZINC000527240618 417226376 /nfs/dbraw/zinc/22/63/76/417226376.db2.gz QELWEMLRTLYGJP-GXFFZTMASA-N 0 0 320.393 0.351 10 0 DCAERN CCOC(=O)[C@H]1CN(c2ccc(C(=O)OC)nn2)CC12COC2 ZINC000450557007 417238951 /nfs/dbraw/zinc/23/89/51/417238951.db2.gz HQCIUWBRCSTBDH-SNVBAGLBSA-N 0 0 321.333 0.279 10 0 DCAERN COC(=O)CCN1CCN(C(=O)Cc2cn(C)nc2C)C[C@@H]1C ZINC000450593482 417245112 /nfs/dbraw/zinc/24/51/12/417245112.db2.gz QZXXMLPQZZVYGA-LBPRGKRZSA-N 0 0 322.409 0.367 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)Nc2cc(C)no2)CC12COC2 ZINC000451145858 417306256 /nfs/dbraw/zinc/30/62/56/417306256.db2.gz ZNQFHKIGBSTRQP-NSHDSACASA-N 0 0 323.349 0.433 10 0 DCAERN CCC[C@H](OC)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC ZINC000451245196 417320215 /nfs/dbraw/zinc/32/02/15/417320215.db2.gz OLMYVSUGIYTSDT-AXFHLTTASA-N 0 0 302.371 0.374 10 0 DCAERN CNC(=O)C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 ZINC000643721057 417321278 /nfs/dbraw/zinc/32/12/78/417321278.db2.gz RHEFSJZKKFCELD-OAHLLOKOSA-N 0 0 316.365 0.130 10 0 DCAERN CC(=O)CN(C(=O)c1ccnc(N2CCOCC2)n1)C(C)C ZINC000633218614 417391242 /nfs/dbraw/zinc/39/12/42/417391242.db2.gz BSHGCSBCHKBXMT-UHFFFAOYSA-N 0 0 306.366 0.753 10 0 DCAERN Cc1cn2nc(N[C@@H]3CCN(C(=O)c4ccon4)C3)ccc2n1 ZINC000570833881 417397928 /nfs/dbraw/zinc/39/79/28/417397928.db2.gz JTKSKVPCMIZRLB-LLVKDONJSA-N 0 0 312.333 1.352 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000633360574 417415225 /nfs/dbraw/zinc/41/52/25/417415225.db2.gz UWCQMDUXFUOLFF-JHJVBQTASA-N 0 0 314.407 0.175 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@H](O)[C@H]2CCCO2)cn1 ZINC000529118860 417419823 /nfs/dbraw/zinc/41/98/23/417419823.db2.gz DLLNJOUTCNCEFC-QWHCGFSZSA-N 0 0 322.365 0.726 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)NC[C@@H](O)[C@H]2CCCO2)cn1 ZINC000529118836 417421206 /nfs/dbraw/zinc/42/12/06/417421206.db2.gz DLLNJOUTCNCEFC-CHWSQXEVSA-N 0 0 322.365 0.726 10 0 DCAERN CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000451960997 417423206 /nfs/dbraw/zinc/42/32/06/417423206.db2.gz VOCGOOBQJPTQBF-VIFPVBQESA-N 0 0 314.363 0.276 10 0 DCAERN CN(C(=O)CN1CCCc2c(OCC(N)=O)cccc21)C1CC1 ZINC000451665526 417379627 /nfs/dbraw/zinc/37/96/27/417379627.db2.gz QWHPMHFPXGNGIM-UHFFFAOYSA-N 0 0 317.389 0.924 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)CC12COC2 ZINC000452231775 417459811 /nfs/dbraw/zinc/45/98/11/417459811.db2.gz UZDWKANHIQFRBY-NSHDSACASA-N 0 0 305.334 0.437 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)c2c(C)nn(C)c2C)CC12COC2 ZINC000452227529 417459981 /nfs/dbraw/zinc/45/99/81/417459981.db2.gz LZOGLWKVTJHIFU-GFCCVEGCSA-N 0 0 321.377 0.689 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)c2cccn2C)CC12COC2 ZINC000452225803 417460028 /nfs/dbraw/zinc/46/00/28/417460028.db2.gz QZBXAOUBYMNVOF-NSHDSACASA-N 0 0 320.345 0.246 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cc2c(C)noc2C)CC12COC2 ZINC000452227992 417460235 /nfs/dbraw/zinc/46/02/35/417460235.db2.gz MXHJQUCXZABYJR-ZDUSSCGKSA-N 0 0 322.361 0.872 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(OC)cn2)CC12COC2 ZINC000452220424 417460301 /nfs/dbraw/zinc/46/03/01/417460301.db2.gz KJVMLZSQVCTGNC-LBPRGKRZSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC12COC2 ZINC000452258176 417461627 /nfs/dbraw/zinc/46/16/27/417461627.db2.gz IKHRMNORIMEUAL-QWHCGFSZSA-N 0 0 312.410 0.611 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@]23CCOC3)CC12COC2 ZINC000452264972 417462089 /nfs/dbraw/zinc/46/20/89/417462089.db2.gz PIVQYQWFGHBFQB-XUJVJEKNSA-N 0 0 309.362 0.451 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)COc2cccnc2)CC12COC2 ZINC000452256863 417462341 /nfs/dbraw/zinc/46/23/41/417462341.db2.gz HQIMDZGLUPXBKY-CYBMUJFWSA-N 0 0 320.345 0.499 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)CC[C@H]2CCOC2)CC12COC2 ZINC000452256121 417462445 /nfs/dbraw/zinc/46/24/45/417462445.db2.gz HEENQZBEFPFTNG-STQMWFEESA-N 0 0 311.378 0.841 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](C)CCO)c1 ZINC000452250269 417462799 /nfs/dbraw/zinc/46/27/99/417462799.db2.gz UEGAOWJPXOHTRJ-LLVKDONJSA-N 0 0 314.407 0.733 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H](CC)C(=O)OC)CC12COC2 ZINC000452265399 417464642 /nfs/dbraw/zinc/46/46/42/417464642.db2.gz QGIVKJXUDWZNHQ-QWRGUYRKSA-N 0 0 313.350 0.224 10 0 DCAERN COC[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000454073691 417546243 /nfs/dbraw/zinc/54/62/43/417546243.db2.gz JCKNZTGQTQBJEM-NSHDSACASA-N 0 0 323.397 0.999 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cc(C)on2)CC12COC2 ZINC000454172238 417549287 /nfs/dbraw/zinc/54/92/87/417549287.db2.gz CXQFCXSJXNNEAE-SNVBAGLBSA-N 0 0 309.322 1.026 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2ccncc2)CC12COC2 ZINC000454272879 417553685 /nfs/dbraw/zinc/55/36/85/417553685.db2.gz UFBPRKIKCAYUBG-GFCCVEGCSA-N 0 0 305.334 0.547 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCOC2)CC12COC2 ZINC000454396260 417558620 /nfs/dbraw/zinc/55/86/20/417558620.db2.gz TWSRAXYODIAJPG-NEPJUHHUSA-N 0 0 312.366 0.244 10 0 DCAERN C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000633872263 417500353 /nfs/dbraw/zinc/50/03/53/417500353.db2.gz KWTNERMTKHXZCO-GRYCIOLGSA-N 0 0 304.412 0.030 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCCO2)c1 ZINC000627775296 417500860 /nfs/dbraw/zinc/50/08/60/417500860.db2.gz FZQSGQWJFOHEDB-UONOGXRCSA-N 0 0 320.345 0.484 10 0 DCAERN CC(C)[C@@H](CO)[C@@H](NC(=O)CN1CCOCC1=O)C(C)C ZINC000452908033 417509109 /nfs/dbraw/zinc/50/91/09/417509109.db2.gz DCYXNQTVAKVGAP-DOMZBBRYSA-N 0 0 300.399 0.251 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)Nc1nc(C3CC3)c[nH]1)N(C)C2 ZINC000644461207 417586130 /nfs/dbraw/zinc/58/61/30/417586130.db2.gz GFDWPFKMBGGSHB-NSHDSACASA-N 0 0 301.354 0.640 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NCc1c(C(F)(F)F)cnn1C ZINC000628357023 417608975 /nfs/dbraw/zinc/60/89/75/417608975.db2.gz HTJKHFRIDZYGBB-UHFFFAOYSA-N 0 0 306.288 0.970 10 0 DCAERN CC(=O)c1c[nH]c(C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC000628377806 417612981 /nfs/dbraw/zinc/61/29/81/417612981.db2.gz KAUHENBZPRDYQC-UHFFFAOYSA-N 0 0 300.322 0.365 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NCCC[C@H]2CCOC2)C1 ZINC000454679239 417576489 /nfs/dbraw/zinc/57/64/89/417576489.db2.gz NYZNZPKGDCGYSO-QWHCGFSZSA-N 0 0 312.414 0.906 10 0 DCAERN C[C@H]1CN(Cc2c(Br)cnn2C)C[C@H](C(N)=O)O1 ZINC000628421484 417619330 /nfs/dbraw/zinc/61/93/30/417619330.db2.gz ZZLHYJLZJPJPKK-OIBJUYFYSA-N 0 0 317.187 0.257 10 0 DCAERN c1ncn(-c2ccc(CN3CCN(c4nccnn4)CC3)cc2)n1 ZINC000628386990 417616770 /nfs/dbraw/zinc/61/67/70/417616770.db2.gz KBJWKKXQAFSARW-UHFFFAOYSA-N 0 0 322.376 0.775 10 0 DCAERN C(CN1C[C@H]2CC[C@@H](C1)O2)N=c1[n-]c(C2CCOCC2)no1 ZINC000576565270 417617928 /nfs/dbraw/zinc/61/79/28/417617928.db2.gz NJJOLJGULOMQLF-BETUJISGSA-N 0 0 308.382 0.661 10 0 DCAERN Cn1cnc(NC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000576732481 417632263 /nfs/dbraw/zinc/63/22/63/417632263.db2.gz ZXCMSOIXGJQXNE-OAHLLOKOSA-N 0 0 303.366 1.103 10 0 DCAERN CC(C)[C@H](O)C(=O)N1CCCc2c(OCC(N)=O)cccc21 ZINC000456237541 417638213 /nfs/dbraw/zinc/63/82/13/417638213.db2.gz JMKWCZUCRVUMEO-HNNXBMFYSA-N 0 0 306.362 0.847 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)[nH]c2=O)[C@H](C)C1 ZINC000440585203 287404603 /nfs/dbraw/zinc/40/46/03/287404603.db2.gz YQGGGGXDINJTOS-SNVBAGLBSA-N 0 0 320.349 0.113 10 0 DCAERN COC[C@@](C)(O)CNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000531887477 417647583 /nfs/dbraw/zinc/64/75/83/417647583.db2.gz UDNRQGUDVPPGTK-HNNXBMFYSA-N 0 0 304.350 0.459 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000577100985 417664232 /nfs/dbraw/zinc/66/42/32/417664232.db2.gz GOKGAXYSUDJWLR-UXIGCNINSA-N 0 0 321.421 0.365 10 0 DCAERN CC(=O)N1CCN(Cc2nnnn2Cc2ccccc2)[C@H](C)C1 ZINC000532422609 417679271 /nfs/dbraw/zinc/67/92/71/417679271.db2.gz IBZQHLIMKZLTRT-CYBMUJFWSA-N 0 0 314.393 0.774 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N(C)[C@H]3C[C@@H](C(N)=O)C3)ccc21 ZINC000629214900 417759391 /nfs/dbraw/zinc/75/93/91/417759391.db2.gz WTURZIMTTVBUGG-OKILXGFUSA-N 0 0 315.373 0.932 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)NCc2nnc3n2CCC3)CC1 ZINC000580578502 417713889 /nfs/dbraw/zinc/71/38/89/417713889.db2.gz MNPVAHOMJJBQPH-NSHDSACASA-N 0 0 305.382 0.489 10 0 DCAERN CN1CCOC[C@@H]1CNC(=O)c1nscc1Br ZINC000628913048 417718566 /nfs/dbraw/zinc/71/85/66/417718566.db2.gz LSSRQYDINZMJMF-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN O=C(CCCOc1ccc(F)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458143398 417724757 /nfs/dbraw/zinc/72/47/57/417724757.db2.gz PGLGATPGOBWSTB-CYBMUJFWSA-N 0 0 322.340 0.754 10 0 DCAERN Cc1ccccc1C1(C(=O)NC[C@@H](O)Cn2ccnn2)CC1 ZINC000458154113 417725426 /nfs/dbraw/zinc/72/54/26/417725426.db2.gz YYJDGSVNJOMREY-CYBMUJFWSA-N 0 0 300.362 0.795 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2COCCN2C)cc1 ZINC000628921890 417728055 /nfs/dbraw/zinc/72/80/55/417728055.db2.gz MLYVFLZWMLJABK-OAHLLOKOSA-N 0 0 305.378 0.730 10 0 DCAERN CN(C)c1cncc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)c1 ZINC000640429586 417842516 /nfs/dbraw/zinc/84/25/16/417842516.db2.gz JAAYCOPFBXVMDE-CHWSQXEVSA-N 0 0 317.353 0.189 10 0 DCAERN CN(C)c1nccc(N2CCN(Cc3cccnc3N)CC2)n1 ZINC000450431241 287449778 /nfs/dbraw/zinc/44/97/78/287449778.db2.gz XZURBJMMNJUYFP-UHFFFAOYSA-N 0 0 313.409 0.842 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N(CC)C(C)C ZINC000487344584 287535110 /nfs/dbraw/zinc/53/51/10/287535110.db2.gz WOZYZYXHMIMYLE-GHMZBOCLSA-N 0 0 301.387 0.883 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)nc1 ZINC000487093537 287531651 /nfs/dbraw/zinc/53/16/51/287531651.db2.gz CDSFZRSOJAAFAW-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CC)O1 ZINC000487128564 287532399 /nfs/dbraw/zinc/53/23/99/287532399.db2.gz NLXGGOWVAXVJSM-FIQHERPVSA-N 0 0 314.382 0.517 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)COC(C)(C)C ZINC000488301534 287548734 /nfs/dbraw/zinc/54/87/34/287548734.db2.gz WCEVWZXTWHXQDW-VHSXEESVSA-N 0 0 302.371 0.374 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccnc1C ZINC000488153608 287546777 /nfs/dbraw/zinc/54/67/77/287546777.db2.gz TUJWUILDPSOVCV-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1oc(C)nc1C ZINC000488258972 287547930 /nfs/dbraw/zinc/54/79/30/287547930.db2.gz BLGLPUIDUBIZDA-RKDXNWHRSA-N 0 0 311.338 0.478 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@@H](O)C1CC1 ZINC000489514979 287554347 /nfs/dbraw/zinc/55/43/47/287554347.db2.gz NZFXIPRSDHYCHO-GFCCVEGCSA-N 0 0 303.366 0.732 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C)C1 ZINC000172664023 299847553 /nfs/dbraw/zinc/84/75/53/299847553.db2.gz SJKAAJJFKZKPSL-QWRGUYRKSA-N 0 0 310.441 0.082 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCC[C@H]3Cn3ccnn3)cn12 ZINC000299742679 229379505 /nfs/dbraw/zinc/37/95/05/229379505.db2.gz IIEOSRKGRABSOS-ZDUSSCGKSA-N 0 0 311.349 0.934 10 0 DCAERN CN(Cc1ccco1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000028838741 261104867 /nfs/dbraw/zinc/10/48/67/261104867.db2.gz DIPDGEUSLJAMTN-UHFFFAOYSA-N 0 0 313.313 0.941 10 0 DCAERN CCc1oc(C(=O)NCC2CN(S(C)(=O)=O)C2)cc1C ZINC000187295514 261123660 /nfs/dbraw/zinc/12/36/60/261123660.db2.gz LYCBYOFPOIRUKD-UHFFFAOYSA-N 0 0 300.380 0.772 10 0 DCAERN CO[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC[C@@H]1C ZINC000187734105 261124995 /nfs/dbraw/zinc/12/49/95/261124995.db2.gz UBTUCXBBJYITGM-WCQYABFASA-N 0 0 318.439 0.541 10 0 DCAERN C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cc(C(N)=O)co1 ZINC000187878939 261125101 /nfs/dbraw/zinc/12/51/01/261125101.db2.gz LNDPJNVILJJTON-CMPLNLGQSA-N 0 0 310.350 0.969 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cn2ccnc2s1 ZINC000188495984 261127728 /nfs/dbraw/zinc/12/77/28/261127728.db2.gz HGSISQXJXPXNQV-MRVPVSSYSA-N 0 0 301.393 0.949 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)NCCCn1ccnn1 ZINC000189058100 261130901 /nfs/dbraw/zinc/13/09/01/261130901.db2.gz APJQLOLTNYLMQO-UHFFFAOYSA-N 0 0 314.353 0.326 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C)N1CCCCC1=O ZINC000190278088 261134671 /nfs/dbraw/zinc/13/46/71/261134671.db2.gz WRRVKZMZNBXAOL-NWDGAFQWSA-N 0 0 321.377 0.915 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000190527549 261134717 /nfs/dbraw/zinc/13/47/17/261134717.db2.gz GBGXZUWMSYCANQ-UHFFFAOYSA-N 0 0 312.329 0.402 10 0 DCAERN O=C(CNC(=O)c1c[nH]c2cc(F)ccc21)N1CCOCC1 ZINC000192993705 261139983 /nfs/dbraw/zinc/13/99/83/261139983.db2.gz QZFDXYGWXSSZHS-UHFFFAOYSA-N 0 0 305.309 0.896 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193465314 261142150 /nfs/dbraw/zinc/14/21/50/261142150.db2.gz ZMHOPGNHXMRWSD-SECBINFHSA-N 0 0 309.288 0.040 10 0 DCAERN O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CNC(=O)C1 ZINC000194802982 261148172 /nfs/dbraw/zinc/14/81/72/261148172.db2.gz JVLIWOFTSCBVEB-SECBINFHSA-N 0 0 317.267 0.775 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000194783429 261148344 /nfs/dbraw/zinc/14/83/44/261148344.db2.gz JCLIBVCAOWWXMZ-LDYMZIIASA-N 0 0 300.318 0.178 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000194830762 261148828 /nfs/dbraw/zinc/14/88/28/261148828.db2.gz RRMKZZQCYAAMQN-CYBMUJFWSA-N 0 0 307.394 0.374 10 0 DCAERN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CNC(=O)C1 ZINC000194770410 261148893 /nfs/dbraw/zinc/14/88/93/261148893.db2.gz QVOMUTQVCDZNFI-NWDGAFQWSA-N 0 0 304.346 0.811 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CCO)C(C)(C)C)C[C@@H](C)O1 ZINC000228540015 261153992 /nfs/dbraw/zinc/15/39/92/261153992.db2.gz JRFUMPFRVTXMQX-IJLUTSLNSA-N 0 0 308.444 0.727 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC1(C)CCOCC1 ZINC000234574074 261154827 /nfs/dbraw/zinc/15/48/27/261154827.db2.gz JSVGCFLFFMACLR-QWRGUYRKSA-N 0 0 305.396 0.817 10 0 DCAERN COc1nc(N2CCC[C@](O)(CO)C2)ncc1Br ZINC000313643401 261174376 /nfs/dbraw/zinc/17/43/76/261174376.db2.gz SLGLNIWTTJKVAN-LLVKDONJSA-N 0 0 318.171 0.571 10 0 DCAERN NC(=O)C1(O)CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000319489918 261177064 /nfs/dbraw/zinc/17/70/64/261177064.db2.gz VAIAKUBMSXQWRH-LBPRGKRZSA-N 0 0 324.764 0.482 10 0 DCAERN CC(=O)c1cc(NC(=O)C(=O)N2CC(CCO)C2)ccc1F ZINC000354731070 261265004 /nfs/dbraw/zinc/26/50/04/261265004.db2.gz ADZFPOHSLQRAOF-UHFFFAOYSA-N 0 0 308.309 0.808 10 0 DCAERN O=C(Cc1cccc(O)c1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000357364435 261532567 /nfs/dbraw/zinc/53/25/67/261532567.db2.gz MRHUIZDFGYLUCG-BDJLRTHQSA-N 0 0 317.345 0.429 10 0 DCAERN CC(=O)N1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@H](C)C1 ZINC000357902440 261598809 /nfs/dbraw/zinc/59/88/09/261598809.db2.gz FFIKEHSGOXVYRN-GFCCVEGCSA-N 0 0 324.425 0.459 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCCc2cc(F)cc(F)c2)n1 ZINC000357965064 261607683 /nfs/dbraw/zinc/60/76/83/261607683.db2.gz OYNOSGWVTLCORA-UHFFFAOYSA-N 0 0 322.315 0.673 10 0 DCAERN CC[C@H](CNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)OC ZINC000358362707 261662191 /nfs/dbraw/zinc/66/21/91/261662191.db2.gz XDPIEGVNEYPWJX-CHWSQXEVSA-N 0 0 313.398 0.491 10 0 DCAERN CNC(=O)COc1cccc(CNC(=O)N(C)CCCO)c1 ZINC000358460200 261671344 /nfs/dbraw/zinc/67/13/44/261671344.db2.gz WIIXWQNZWOXEGR-UHFFFAOYSA-N 0 0 309.366 0.335 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000358847847 261706030 /nfs/dbraw/zinc/70/60/30/261706030.db2.gz HKBWSHKVRUFRDH-HTOAHKCRSA-N 0 0 324.421 0.536 10 0 DCAERN COC(=O)[C@@H](NCCNC(=O)c1cccc(OC)c1)C1CC1 ZINC000358845221 261706037 /nfs/dbraw/zinc/70/60/37/261706037.db2.gz FUUATVGIRICBKX-AWEZNQCLSA-N 0 0 306.362 0.966 10 0 DCAERN COc1ccc(C[C@H](C)NC(=O)N2CCNC(=O)C2)cc1OC ZINC000358910334 261713642 /nfs/dbraw/zinc/71/36/42/261713642.db2.gz YZFGSGRCCJLIMC-NSHDSACASA-N 0 0 321.377 0.776 10 0 DCAERN C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)N1CCOCC1 ZINC000359783776 261768250 /nfs/dbraw/zinc/76/82/50/261768250.db2.gz HGUVOSMMIHNRQX-DTWKUNHWSA-N 0 0 302.318 0.836 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000361501747 261931322 /nfs/dbraw/zinc/93/13/22/261931322.db2.gz ANGOVQKNINNAGA-UONOGXRCSA-N 0 0 315.373 0.686 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(CC)C[C@H](C)OC)C1 ZINC000362096383 261998946 /nfs/dbraw/zinc/99/89/46/261998946.db2.gz BPGFXYFTBXVRBB-NWDGAFQWSA-N 0 0 300.403 0.857 10 0 DCAERN CCOC(=O)CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)C1CCC1 ZINC000362167682 262006223 /nfs/dbraw/zinc/00/62/23/262006223.db2.gz NVUYTGVSGFAZLN-LLVKDONJSA-N 0 0 320.393 0.864 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000362177205 262006947 /nfs/dbraw/zinc/00/69/47/262006947.db2.gz HWLGWKGUMGUFAF-ZDUSSCGKSA-N 0 0 320.345 0.621 10 0 DCAERN COC[C@@](C)(NC(=O)CN1CSCC1=O)C(F)(F)F ZINC000362203061 262009204 /nfs/dbraw/zinc/00/92/04/262009204.db2.gz JHIJINOHRSYLGG-SECBINFHSA-N 0 0 300.302 0.603 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCOCC[C@H]2C)c1 ZINC000362468434 262038978 /nfs/dbraw/zinc/03/89/78/262038978.db2.gz AJOIZSHYUMHBEZ-LLVKDONJSA-N 0 0 312.391 0.893 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)Cc1cccc(O)c1 ZINC000362475940 262039291 /nfs/dbraw/zinc/03/92/91/262039291.db2.gz DDLGMZAREFILCI-GJZGRUSLSA-N 0 0 309.362 0.871 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc2ncnn21 ZINC000362668503 262058386 /nfs/dbraw/zinc/05/83/86/262058386.db2.gz HWJZDBMEZARVMM-NXEZZACHSA-N 0 0 320.353 0.301 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](CC2CCC2)NC(C)=O)C1 ZINC000362774601 262071406 /nfs/dbraw/zinc/07/14/06/262071406.db2.gz PXIUGSFJSLRMTF-KGLIPLIRSA-N 0 0 324.425 0.601 10 0 DCAERN CCc1noc(CC)c1CC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363820591 262133090 /nfs/dbraw/zinc/13/30/90/262133090.db2.gz IETUXSDUNGOPTC-GFCCVEGCSA-N 0 0 307.394 0.885 10 0 DCAERN O=C(CNC(=O)c1cccs1)N1CCN2CCOC[C@@H]2C1 ZINC000363864505 262135223 /nfs/dbraw/zinc/13/52/23/262135223.db2.gz DFSVKPZFNOKGDB-NSHDSACASA-N 0 0 309.391 0.021 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN([C@H]2CCN(C(C)C)C2=O)C1 ZINC000370865400 262154968 /nfs/dbraw/zinc/15/49/68/262154968.db2.gz RZKKABHJIILGIB-STQMWFEESA-N 0 0 317.455 0.398 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000357054918 271039647 /nfs/dbraw/zinc/03/96/47/271039647.db2.gz QOFOFQKWZDTARY-GXSJLCMTSA-N 0 0 318.345 0.863 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)NC[C@H](CO)C2CC2)CCCC1 ZINC000358643916 271061700 /nfs/dbraw/zinc/06/17/00/271061700.db2.gz FZVRIIXNVRITNS-CYBMUJFWSA-N 0 0 311.426 0.953 10 0 DCAERN CN(C)C(=O)NCCN(C)C(=O)NCc1nnc2ccccn21 ZINC000358660059 271064836 /nfs/dbraw/zinc/06/48/36/271064836.db2.gz HWKVQBHZLLFFPB-UHFFFAOYSA-N 0 0 319.369 0.142 10 0 DCAERN COCCCN(C(=O)NC[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000359118962 271097126 /nfs/dbraw/zinc/09/71/26/271097126.db2.gz VRUADQRSJXGCMA-RWMBFGLXSA-N 0 0 318.439 0.878 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](C(C)C)C(C)(C)O)C1 ZINC000359220896 271106050 /nfs/dbraw/zinc/10/60/50/271106050.db2.gz OBGFGEOFQMVHGM-VXGBXAGGSA-N 0 0 314.430 0.885 10 0 DCAERN CCN(CC(=O)NC(C)C)C(=O)CN(C)Cc1noc(C)n1 ZINC000359529213 271123805 /nfs/dbraw/zinc/12/38/05/271123805.db2.gz BOHNLOUKEQATHG-UHFFFAOYSA-N 0 0 311.386 0.183 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@H](CO)C1CCCC1 ZINC000359608807 271131389 /nfs/dbraw/zinc/13/13/89/271131389.db2.gz FPTNQCNACSHDQO-CZUORRHYSA-N 0 0 308.378 0.267 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)Nc1cccc(CCCO)c1 ZINC000359604785 271131651 /nfs/dbraw/zinc/13/16/51/271131651.db2.gz OTNXQHMFKUNHIN-UHFFFAOYSA-N 0 0 305.334 0.492 10 0 DCAERN C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC23CCC3)CCCO1 ZINC000360920189 271164155 /nfs/dbraw/zinc/16/41/55/271164155.db2.gz YPXRFNVJYCBZBV-AWEZNQCLSA-N 0 0 323.437 0.759 10 0 DCAERN CC(=O)N(C)CC(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000361057253 271174998 /nfs/dbraw/zinc/17/49/98/271174998.db2.gz ZSVKQPUPRZUQMH-GFCCVEGCSA-N 0 0 314.332 0.710 10 0 DCAERN Cn1nnc(CNC(=O)c2csc(Br)c2)n1 ZINC000398153705 271217918 /nfs/dbraw/zinc/21/79/18/271217918.db2.gz FPPBWPGWQLVIMC-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN OC[C@H]1CCCN(c2cc(NC[C@H](O)C(F)F)ncn2)C1 ZINC000435590918 271566561 /nfs/dbraw/zinc/56/65/61/271566561.db2.gz ANFFNKFLHCJHTH-UWVGGRQHSA-N 0 0 302.325 0.723 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC2([S@](C)=O)CC2)C1 ZINC000442710898 271680166 /nfs/dbraw/zinc/68/01/66/271680166.db2.gz QYMXJXYKPYMRBT-FIKIJFGZSA-N 0 0 315.439 0.598 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000443343133 271708520 /nfs/dbraw/zinc/70/85/20/271708520.db2.gz GBUFGNOGKWCFPF-UHFFFAOYSA-N 0 0 320.349 0.209 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)c1 ZINC000447229952 271778823 /nfs/dbraw/zinc/77/88/23/271778823.db2.gz HVCLGWSVECUOQB-LLVKDONJSA-N 0 0 323.324 0.510 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)CC12COC2 ZINC000452264979 271912190 /nfs/dbraw/zinc/91/21/90/271912190.db2.gz PJXMWQXRJYSUMX-SWLSCSKDSA-N 0 0 311.378 0.576 10 0 DCAERN CO[C@@H]1COCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000452628499 271920894 /nfs/dbraw/zinc/92/08/94/271920894.db2.gz FHOHIUDQFAMYPT-NWANDNLSSA-N 0 0 320.389 0.973 10 0 DCAERN CC(C)c1ccc(OCC(=O)NC[C@@H](O)Cn2ccnn2)cc1 ZINC000458151233 271944193 /nfs/dbraw/zinc/94/41/93/271944193.db2.gz WGZFCATWJHTDFV-CQSZACIVSA-N 0 0 318.377 0.958 10 0 DCAERN CC[C@@H](NC(=O)NCC[C@@H]1COc2ccccc2O1)C(N)=O ZINC000458547077 271962037 /nfs/dbraw/zinc/96/20/37/271962037.db2.gz IDXQKTPMKMZLAJ-GHMZBOCLSA-N 0 0 307.350 0.780 10 0 DCAERN Cc1cc(CN(C)C(=O)C(=O)N2CCO[C@H](C(C)C)C2)no1 ZINC000459991877 272023005 /nfs/dbraw/zinc/02/30/05/272023005.db2.gz HYWKHFGRZOVNKI-ZDUSSCGKSA-N 0 0 309.366 0.825 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)COCC(=O)N[C@H](C)[C@@H](C)OC ZINC000461274631 272026262 /nfs/dbraw/zinc/02/62/62/272026262.db2.gz OGBXTCOIQPGXMA-DDHJBXDOSA-N 0 0 304.387 0.082 10 0 DCAERN COC(=O)CCN1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)[C@H](C)C1 ZINC000466488587 272026612 /nfs/dbraw/zinc/02/66/12/272026612.db2.gz LYPPKVOKHOMCPF-FRRDWIJNSA-N 0 0 315.414 0.689 10 0 DCAERN Cc1noc(CN2CCN(C(=O)C(=O)c3ccccc3)CC2)n1 ZINC000471962727 272034072 /nfs/dbraw/zinc/03/40/72/272034072.db2.gz AWHPRNRVMGJDSG-UHFFFAOYSA-N 0 0 314.345 0.905 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCCO1 ZINC000487168154 272038578 /nfs/dbraw/zinc/03/85/78/272038578.db2.gz VBRZRPGIUMEDDN-VWYCJHECSA-N 0 0 300.355 0.128 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncn1 ZINC000488617056 272046389 /nfs/dbraw/zinc/04/63/89/272046389.db2.gz SGMDAODQKKRJSK-BDAKNGLRSA-N 0 0 309.326 0.054 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@H]1CCC(=O)NC1 ZINC000490279111 272072436 /nfs/dbraw/zinc/07/24/36/272072436.db2.gz MXRANKBSSJNWCR-LBPRGKRZSA-N 0 0 317.345 0.345 10 0 DCAERN CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C ZINC000492315487 272122918 /nfs/dbraw/zinc/12/29/18/272122918.db2.gz XNVRAFHMYWBBLV-BDAKNGLRSA-N 0 0 304.334 0.961 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC[C@@H](C)OC ZINC000494883100 272233392 /nfs/dbraw/zinc/23/33/92/272233392.db2.gz NOGAJVQSXCTZHB-VWYCJHECSA-N 0 0 317.386 0.167 10 0 DCAERN C[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000505761242 272393594 /nfs/dbraw/zinc/39/35/94/272393594.db2.gz FERFTINZXLAAQM-SNVBAGLBSA-N 0 0 303.428 0.756 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncnc2c1CCC2 ZINC000517467068 272468491 /nfs/dbraw/zinc/46/84/91/272468491.db2.gz ZDGYJGLOYGQPNY-NXEZZACHSA-N 0 0 306.366 0.834 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2noc3c2CCCCC3)C1 ZINC000517598548 272471351 /nfs/dbraw/zinc/47/13/51/272471351.db2.gz SPINAAOSFGXBDI-ONGXEEELSA-N 0 0 307.350 0.658 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)C12CCOCC2 ZINC000522024544 272545111 /nfs/dbraw/zinc/54/51/11/272545111.db2.gz QIWTVEMPJHSVNN-OLZOCXBDSA-N 0 0 324.421 0.945 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2nnnn2c1 ZINC000532335498 272785156 /nfs/dbraw/zinc/78/51/56/272785156.db2.gz UGKCAHCJRPQGNH-NSHDSACASA-N 0 0 303.322 0.681 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c2ccccc21 ZINC000154463356 287768556 /nfs/dbraw/zinc/76/85/56/287768556.db2.gz HMGUCUSEFSQKSL-RISCZKNCSA-N 0 0 317.389 0.946 10 0 DCAERN COCCNC(=O)Cn1cc(NC(=O)NCCCC2CC2)cn1 ZINC000531346506 287774681 /nfs/dbraw/zinc/77/46/81/287774681.db2.gz AEVXWSBXODPFHC-UHFFFAOYSA-N 0 0 323.397 0.957 10 0 DCAERN Cc1noc(CN2CCN(C(=O)NCc3ccn(C)n3)CC2)n1 ZINC000535742496 287840658 /nfs/dbraw/zinc/84/06/58/287840658.db2.gz VXGSJRQEAREOKG-UHFFFAOYSA-N 0 0 319.369 0.139 10 0 DCAERN NC(=O)N[C@H](CC(=O)N1CC[C@@H](NC(N)=O)C1)c1ccccc1 ZINC000536525424 287855380 /nfs/dbraw/zinc/85/53/80/287855380.db2.gz IRIBWHRMIQQWCG-VXGBXAGGSA-N 0 0 319.365 0.055 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000347018737 287861648 /nfs/dbraw/zinc/86/16/48/287861648.db2.gz QZXNZTKVQBYYDT-JHJVBQTASA-N 0 0 310.394 0.840 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1N1CCOCC1 ZINC000329756589 276481540 /nfs/dbraw/zinc/48/15/40/276481540.db2.gz YSBLOCKXBQEJRB-MGPQQGTHSA-N 0 0 309.410 0.034 10 0 DCAERN CNC(=O)CN1CCC(NC(=O)N2CCCC23CCC3)CC1 ZINC000373108916 276999422 /nfs/dbraw/zinc/99/94/22/276999422.db2.gz DVTNFCGTIARWPA-UHFFFAOYSA-N 0 0 308.426 0.925 10 0 DCAERN CC(=O)Nc1nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cs1 ZINC000125362677 277090598 /nfs/dbraw/zinc/09/05/98/277090598.db2.gz RNAIQGULJMFAAM-VXNVDRBHSA-N 0 0 310.379 0.828 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)CCS1(=O)=O ZINC000251519066 287935836 /nfs/dbraw/zinc/93/58/36/287935836.db2.gz COPZJOWGORKKDP-KKOKHZNYSA-N 0 0 302.396 0.382 10 0 DCAERN Cc1cccn2cc(CC(=O)N3CCN4CCOC[C@H]4C3)nc12 ZINC000543604807 287960805 /nfs/dbraw/zinc/96/08/05/287960805.db2.gz DZCAZMVLAPZCOA-OAHLLOKOSA-N 0 0 314.389 0.728 10 0 DCAERN O=C(NCc1ccc2c(c1)CCO2)N1CCN2CCOC[C@H]2C1 ZINC000543680004 287962260 /nfs/dbraw/zinc/96/22/60/287962260.db2.gz LZCIXRBKQCOOER-OAHLLOKOSA-N 0 0 317.389 0.848 10 0 DCAERN CC(=O)CCN(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000372093789 277942147 /nfs/dbraw/zinc/94/21/47/277942147.db2.gz HRLZVHPTPLZINM-BZNIZROVSA-N 0 0 323.393 0.925 10 0 DCAERN CC1=CCN(CCNC(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000545859672 288002681 /nfs/dbraw/zinc/00/26/81/288002681.db2.gz ZFJKMRYNJODVGM-GFCCVEGCSA-N 0 0 303.428 0.371 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)C1 ZINC000328966041 278050878 /nfs/dbraw/zinc/05/08/78/278050878.db2.gz MQGWANGFSHLHFY-ZIAGYGMSSA-N 0 0 320.393 0.795 10 0 DCAERN CC(C)c1csc(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)n1 ZINC000193405219 278067353 /nfs/dbraw/zinc/06/73/53/278067353.db2.gz YOYJZGHKQASYSC-VIFPVBQESA-N 0 0 324.406 0.894 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000133467181 278077447 /nfs/dbraw/zinc/07/74/47/278077447.db2.gz NTYLHJCNKBCPNS-HIFRSBDPSA-N 0 0 315.373 0.701 10 0 DCAERN CSC1=N[C@H]2[C@H](C(C)=O)C(=O)N(c3ccccc3)[C@@H]2NN1 ZINC000006357030 278126627 /nfs/dbraw/zinc/12/66/27/278126627.db2.gz DQZQSFIODUGNKW-SRVKXCTJSA-N 0 0 304.375 0.760 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000408045936 278154906 /nfs/dbraw/zinc/15/49/06/278154906.db2.gz ABYMKAPIEUTVNN-HNNXBMFYSA-N 0 0 322.413 0.203 10 0 DCAERN C[C@@H](C(=O)N1CCCC[C@@H]1CN1CCOCC1)n1cncn1 ZINC000113448292 278189717 /nfs/dbraw/zinc/18/97/17/278189717.db2.gz ONXWDTWKJLCLRT-UONOGXRCSA-N 0 0 307.398 0.552 10 0 DCAERN C[C@]1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCO[C@@H]1C1CC1 ZINC000546657053 288023833 /nfs/dbraw/zinc/02/38/33/288023833.db2.gz FWCVLDMTUUPZSN-BFYDXBDKSA-N 0 0 323.437 0.918 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCN3CCCC[C@H]3C2)CCO1 ZINC000329429463 278338790 /nfs/dbraw/zinc/33/87/90/278338790.db2.gz HHOBJQWKFFPNIM-ZDUSSCGKSA-N 0 0 317.455 0.512 10 0 DCAERN C[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC(=O)N1C ZINC000407952449 278443406 /nfs/dbraw/zinc/44/34/06/278443406.db2.gz HJAQXIQLJMCNTB-ZETCQYMHSA-N 0 0 314.271 0.810 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)N2CCS(=O)(=O)CC2)C[C@@H]1O ZINC000408394134 278546376 /nfs/dbraw/zinc/54/63/76/278546376.db2.gz HXJBFRBNCRPNQM-RYUDHWBXSA-N 0 0 318.439 0.566 10 0 DCAERN COC1(C)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000547537891 288055494 /nfs/dbraw/zinc/05/54/94/288055494.db2.gz ZOQJSETYMBRBAV-UHFFFAOYSA-N 0 0 320.393 0.849 10 0 DCAERN Cc1cn2c(n1)CN(C(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)CC2 ZINC000371737424 279002632 /nfs/dbraw/zinc/00/26/32/279002632.db2.gz UHCTVCNVROQUMU-LLVKDONJSA-N 0 0 314.349 0.310 10 0 DCAERN Cc1cnn(-c2ccc(C(=O)N3CCOC[C@@H]3C(N)=O)cc2)c1 ZINC000091783225 279029071 /nfs/dbraw/zinc/02/90/71/279029071.db2.gz SOBXQAZNLQTVJV-CQSZACIVSA-N 0 0 314.345 0.507 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)n(C)n1 ZINC000547944656 288095005 /nfs/dbraw/zinc/09/50/05/288095005.db2.gz XVEZVZSNFGNIQM-GFCCVEGCSA-N 0 0 306.366 0.558 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)c2ncn(C)n2)C1 ZINC000548036685 288104013 /nfs/dbraw/zinc/10/40/13/288104013.db2.gz RIBLJGFXKIQPKT-MNOVXSKESA-N 0 0 308.386 0.576 10 0 DCAERN C[C@H](NC(=O)c1ccoc1)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000548059341 288107475 /nfs/dbraw/zinc/10/74/75/288107475.db2.gz WYSAONBJXBOBJV-GWCFXTLKSA-N 0 0 320.345 0.604 10 0 DCAERN CCOc1cccc([C@@H]2C[C@H]2NC(=O)CN2CCOCC2=O)c1 ZINC000548064115 288108455 /nfs/dbraw/zinc/10/84/55/288108455.db2.gz XBJLOYIRODQHCY-LSDHHAIUSA-N 0 0 318.373 0.916 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000175855041 279172606 /nfs/dbraw/zinc/17/26/06/279172606.db2.gz FLNHYBASGGVNRV-YPMHNXCESA-N 0 0 307.398 0.842 10 0 DCAERN Cc1nsc(N2CCCN([C@H](C)c3nnnn3C)CC2)n1 ZINC000248947733 279263671 /nfs/dbraw/zinc/26/36/71/279263671.db2.gz DPFTXWYVICFFRD-SECBINFHSA-N 0 0 308.415 0.643 10 0 DCAERN Cn1c2cccc(I)c2c(=O)n(C)c1=O ZINC000091297416 279319838 /nfs/dbraw/zinc/31/98/38/279319838.db2.gz FACQATTWTIOMGQ-UHFFFAOYSA-N 0 0 316.098 0.842 10 0 DCAERN CN(C)C(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000548414430 288140969 /nfs/dbraw/zinc/14/09/69/288140969.db2.gz YJTGXSNQFGAFKA-CYBMUJFWSA-N 0 0 315.373 0.777 10 0 DCAERN CS(=O)(=O)CCCCCNC(=O)c1cn2cccnc2n1 ZINC000548501481 288148920 /nfs/dbraw/zinc/14/89/20/288148920.db2.gz HYJCYKWYRGKIER-UHFFFAOYSA-N 0 0 310.379 0.674 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000548800783 288177372 /nfs/dbraw/zinc/17/73/72/288177372.db2.gz SUEDWAOJLORKTQ-GFCCVEGCSA-N 0 0 304.354 0.329 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)C1CCOCC1 ZINC000549062409 288191159 /nfs/dbraw/zinc/19/11/59/288191159.db2.gz GGZDYMUCUAPZEW-ZFWWWQNUSA-N 0 0 322.409 0.884 10 0 DCAERN O=C(NCC[C@H]1COc2ccccc2O1)NC[C@@]1(O)CCOC1 ZINC000549558614 288200022 /nfs/dbraw/zinc/20/00/22/288200022.db2.gz LKQONRRMCFCHFQ-LRDDRELGSA-N 0 0 322.361 0.667 10 0 DCAERN O=C(c1ccc(Cl)cc1F)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856603 280183822 /nfs/dbraw/zinc/18/38/22/280183822.db2.gz WTAXIYNKDIKJTL-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329461881 280396271 /nfs/dbraw/zinc/39/62/71/280396271.db2.gz SYCVRHIONFVILA-UEKVPHQBSA-N 0 0 309.366 0.405 10 0 DCAERN Cc1cc(CCNC(=O)Cn2c3ccccc3n(C)c2=O)on1 ZINC000552366097 288273623 /nfs/dbraw/zinc/27/36/23/288273623.db2.gz LNGOTNHVONHKTC-UHFFFAOYSA-N 0 0 314.345 0.995 10 0 DCAERN CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000553100945 288287138 /nfs/dbraw/zinc/28/71/38/288287138.db2.gz GSSUZCVVSBPGDA-SNVBAGLBSA-N 0 0 318.333 0.588 10 0 DCAERN O=C(NCCCC1CC1)NCC1(O)CCS(=O)(=O)CC1 ZINC000554573191 288329901 /nfs/dbraw/zinc/32/99/01/288329901.db2.gz FZNLQOAVHCWBOI-UHFFFAOYSA-N 0 0 304.412 0.416 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N(CCO)C1CCOCC1 ZINC000555217787 288346133 /nfs/dbraw/zinc/34/61/33/288346133.db2.gz TUCGEEWOJQKRNZ-AWEZNQCLSA-N 0 0 322.409 0.980 10 0 DCAERN O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1c1cccc(N2CCOCC2)c1 ZINC000559927093 288482258 /nfs/dbraw/zinc/48/22/58/288482258.db2.gz WOICMKQXXQDYFH-KGLIPLIRSA-N 0 0 317.345 0.425 10 0 DCAERN O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)N1CCC1 ZINC000560459252 288503901 /nfs/dbraw/zinc/50/39/01/288503901.db2.gz YECQJLFPWVQDOF-UHFFFAOYSA-N 0 0 306.391 0.972 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(F)(F)CO ZINC000185061911 288633326 /nfs/dbraw/zinc/63/33/26/288633326.db2.gz BZKRRDCRJPXSSC-QMMMGPOBSA-N 0 0 303.313 0.602 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@]3(CCSC3)C2)C1 ZINC000563815480 288706499 /nfs/dbraw/zinc/70/64/99/288706499.db2.gz XZFPOQHHLZHRBQ-ZFWWWQNUSA-N 0 0 312.435 0.979 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000158035923 289017484 /nfs/dbraw/zinc/01/74/84/289017484.db2.gz SGNXHDXWNLBAAX-SNVBAGLBSA-N 0 0 304.412 0.279 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CCc1cncn1C ZINC000329577269 289045194 /nfs/dbraw/zinc/04/51/94/289045194.db2.gz OOVQPJFVCPGZTQ-UKRRQHHQSA-N 0 0 306.410 0.674 10 0 DCAERN COCCn1cc([C@H]2[C@@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1 ZINC000407975871 292737526 /nfs/dbraw/zinc/73/75/26/292737526.db2.gz PUNFFCQJFXHZEM-AAEUAGOBSA-N 0 0 308.382 0.703 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000329269704 289796370 /nfs/dbraw/zinc/79/63/70/289796370.db2.gz FHBCFASIDGCWCE-WBMJQRKESA-N 0 0 310.394 0.794 10 0 DCAERN CN1CCO[C@H](C(=O)Nc2c[nH]cc(Br)c2=O)C1 ZINC000089990536 290106469 /nfs/dbraw/zinc/10/64/69/290106469.db2.gz BNTWLJYPIGVDPF-VIFPVBQESA-N 0 0 316.155 0.407 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000186969533 290296734 /nfs/dbraw/zinc/29/67/34/290296734.db2.gz CDFTZQXHTGMHMB-QWRGUYRKSA-N 0 0 321.343 0.950 10 0 DCAERN Cc1nc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(=O)[nH]c1C ZINC000159271353 293168055 /nfs/dbraw/zinc/16/80/55/293168055.db2.gz PRTHSGCNEZNEAE-GHMZBOCLSA-N 0 0 309.391 0.733 10 0 DCAERN Cc1oc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1S(N)(=O)=O ZINC000408094717 294029544 /nfs/dbraw/zinc/02/95/44/294029544.db2.gz IKGGYCXJLSZKGR-APPZFPTMSA-N 0 0 302.352 0.078 10 0 DCAERN Cc1sc2ncc(C(=O)N[C@H]3CCCNC3=O)c(=O)n2c1C ZINC000408109606 294087314 /nfs/dbraw/zinc/08/73/14/294087314.db2.gz YTZXQGCRLSHIJP-JTQLQIEISA-N 0 0 320.374 0.381 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CCO[C@@]4(CCOC4)C3)C2=O)cn1 ZINC000248921761 294252160 /nfs/dbraw/zinc/25/21/60/294252160.db2.gz FGCFMWQPOJWDSO-HIFRSBDPSA-N 0 0 306.366 0.017 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC000408039414 294588920 /nfs/dbraw/zinc/58/89/20/294588920.db2.gz XJIBGROOEGLZRB-BARDWOONSA-N 0 0 324.421 0.897 10 0 DCAERN CO[C@H]1C[C@H](C(=O)Nc2nnc3n2CCCC3)N(C(C)=O)C1 ZINC000278040534 294649595 /nfs/dbraw/zinc/64/95/95/294649595.db2.gz KWJZMVMXEBCANC-WDEREUQCSA-N 0 0 307.354 0.189 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408028348 295169113 /nfs/dbraw/zinc/16/91/13/295169113.db2.gz DAGZTVOEZWLRLW-DZGCQCFKSA-N 0 0 306.362 0.946 10 0 DCAERN N[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000040173581 295324091 /nfs/dbraw/zinc/32/40/91/295324091.db2.gz FXPFWELEXFGDOQ-NXEZZACHSA-N 0 0 309.796 0.238 10 0 DCAERN C[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H]1O ZINC000408095783 299924681 /nfs/dbraw/zinc/92/46/81/299924681.db2.gz QFXUXBRRYVTKHR-WDEREUQCSA-N 0 0 309.366 0.080 10 0 DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329681549 297089645 /nfs/dbraw/zinc/08/96/45/297089645.db2.gz YJMJKFUBJUVCNZ-FRRDWIJNSA-N 0 0 300.424 0.506 10 0 DCAERN C[C@H](C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C)N(C)CC(F)(F)F ZINC000192165875 298091659 /nfs/dbraw/zinc/09/16/59/298091659.db2.gz MYXLNUNGMPJFOJ-BBBLOLIVSA-N 0 0 309.332 0.981 10 0 DCAERN C[C@H]1CN(C(=O)c2cccnc2N2CCCC2)CC(=O)N1C ZINC000282131485 300202094 /nfs/dbraw/zinc/20/20/94/300202094.db2.gz HJXSCZXJFPBIKR-LBPRGKRZSA-N 0 0 302.378 0.985 10 0 DCAERN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000332903369 300379302 /nfs/dbraw/zinc/37/93/02/300379302.db2.gz QUZXRCDJHOZFDE-RNJOBUHISA-N 0 0 316.423 0.773 10 0 DCAERN C[S@](=O)C1(CNC(=O)N[C@H]2CCC(=O)NC2(C)C)CCC1 ZINC000407985585 300883720 /nfs/dbraw/zinc/88/37/20/300883720.db2.gz OWCQSDIJNONVTA-CWKPULSASA-N 0 0 315.439 0.644 10 0 DCAERN Cc1c(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cccc1S(N)(=O)=O ZINC000408188723 300933661 /nfs/dbraw/zinc/93/36/61/300933661.db2.gz UKBVMVAJWNOZCU-WCFLWFBJSA-N 0 0 324.402 0.485 10 0 DCAERN Cc1cnn([C@@H]2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)c1 ZINC000105859280 302403194 /nfs/dbraw/zinc/40/31/94/302403194.db2.gz XFDWQYHMBCYZJF-GFCCVEGCSA-N 0 0 314.411 0.246 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000083724837 302677214 /nfs/dbraw/zinc/67/72/14/302677214.db2.gz OUDZPVOKQQOKKS-NEPJUHHUSA-N 0 0 320.397 0.730 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccnc2c1nnn2C ZINC000283086251 302678302 /nfs/dbraw/zinc/67/83/02/302678302.db2.gz WCQXYDLTDDGNBC-SNVBAGLBSA-N 0 0 312.337 0.528 10 0 DCAERN O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408483874 303819060 /nfs/dbraw/zinc/81/90/60/303819060.db2.gz MUIIKRKWCHRKTG-OLZOCXBDSA-N 0 0 316.423 0.486 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCCOC1 ZINC000332801362 332874759 /nfs/dbraw/zinc/87/47/59/332874759.db2.gz XRUGGKZLMOTKMW-FVCCEPFGSA-N 0 0 309.370 0.332 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCOCC1CCC1 ZINC000582520594 337100190 /nfs/dbraw/zinc/10/01/90/337100190.db2.gz MINIXCGZVXHVLE-LLVKDONJSA-N 0 0 306.428 0.878 10 0 DCAERN O=C(NCCOCC1CCC1)NCC1CCS(=O)(=O)CC1 ZINC000582777212 337147358 /nfs/dbraw/zinc/14/73/58/337147358.db2.gz CBONJCIRHKQFLR-UHFFFAOYSA-N 0 0 318.439 0.927 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000583118640 337239037 /nfs/dbraw/zinc/23/90/37/337239037.db2.gz PSZACPWAOGNZMO-JQWIXIFHSA-N 0 0 305.382 0.836 10 0 DCAERN COC(=O)c1cccc(Cn2nc(C(=O)OC)ccc2=O)n1 ZINC000583242736 337285197 /nfs/dbraw/zinc/28/51/97/337285197.db2.gz NMGZKJGTYDKXTE-UHFFFAOYSA-N 0 0 303.274 0.260 10 0 DCAERN Cc1[nH]c(=O)c(C(=O)NCCO)cc1I ZINC000584632907 337377388 /nfs/dbraw/zinc/37/73/88/337377388.db2.gz OEFWCLPYDSBUCT-UHFFFAOYSA-N 0 0 322.102 0.422 10 0 DCAERN COc1ccccc1-c1cnc(N)c(C(=O)NCCCO)n1 ZINC000584662229 337378460 /nfs/dbraw/zinc/37/84/60/337378460.db2.gz TWWPQLCFEACWEK-UHFFFAOYSA-N 0 0 302.334 0.847 10 0 DCAERN Cc1sc2nc(CC(N)=O)cc(=O)n2c1Br ZINC000584638916 337379658 /nfs/dbraw/zinc/37/96/58/337379658.db2.gz VUHDEOIIVLDLEC-UHFFFAOYSA-N 0 0 302.153 0.855 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1c[nH]c(=O)c2ccccc12 ZINC000191600842 337738389 /nfs/dbraw/zinc/73/83/89/337738389.db2.gz LPWOILVBGOEVQD-JTQLQIEISA-N 0 0 309.329 0.864 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cn1nnnc1C(C)C ZINC000173473498 341817236 /nfs/dbraw/zinc/81/72/36/341817236.db2.gz GNDWPLYJWPJFKZ-SNVBAGLBSA-N 0 0 319.413 0.894 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000576932480 341870345 /nfs/dbraw/zinc/87/03/45/341870345.db2.gz GGJJNERMESLXOJ-UHFFFAOYSA-N 0 0 302.334 0.992 10 0 DCAERN Cc1ccc(O)c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742137 534197045 /nfs/dbraw/zinc/19/70/45/534197045.db2.gz HCVIFRAFEFNWDT-OCCSQVGLSA-N 0 0 323.368 0.867 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000155769552 534214005 /nfs/dbraw/zinc/21/40/05/534214005.db2.gz BEBFZACRUHNXNZ-ZJUUUORDSA-N 0 0 307.325 0.877 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188818384 534255101 /nfs/dbraw/zinc/25/51/01/534255101.db2.gz KTHQXJPESMNBAC-LBPRGKRZSA-N 0 0 306.362 0.612 10 0 DCAERN C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CCC(=O)N(C)C2)NC1=O ZINC000265621674 518185133 /nfs/dbraw/zinc/18/51/33/518185133.db2.gz BTXWBYPIMQUVBT-ZJUUUORDSA-N 0 0 317.345 0.757 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN2C(=O)CN(C)C2=O)c1 ZINC000266618122 519453775 /nfs/dbraw/zinc/45/37/75/519453775.db2.gz DESWUMINJPWKCH-UHFFFAOYSA-N 0 0 318.333 0.502 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000191043769 519495580 /nfs/dbraw/zinc/49/55/80/519495580.db2.gz HHMPLEPWGSXCMR-LBPRGKRZSA-N 0 0 305.382 0.311 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3cnn(C)c3)C2)C1 ZINC000267547603 519547559 /nfs/dbraw/zinc/54/75/59/519547559.db2.gz AOGRSUQSJLMLOY-ZFWWWQNUSA-N 0 0 320.393 0.579 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000191342977 519647016 /nfs/dbraw/zinc/64/70/16/519647016.db2.gz DJMDBEPDSDWAPK-UHFFFAOYSA-N 0 0 314.345 0.464 10 0 DCAERN CC(=O)NCCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151656830 519665545 /nfs/dbraw/zinc/66/55/45/519665545.db2.gz VUHZAOMYPJKOFC-UHFFFAOYSA-N 0 0 307.276 0.374 10 0 DCAERN CC(C)[C@@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(N)=O ZINC000130046292 519798122 /nfs/dbraw/zinc/79/81/22/519798122.db2.gz RONXOYHMMUZFLT-SECBINFHSA-N 0 0 304.393 0.391 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)s1 ZINC000190532134 519851427 /nfs/dbraw/zinc/85/14/27/519851427.db2.gz LMNLGWSWQWXHCI-VIFPVBQESA-N 0 0 324.406 0.942 10 0 DCAERN CCCNC(=O)c1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000132260184 519901873 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521670404 /nfs/dbraw/zinc/67/04/04/521670404.db2.gz YGSZEADSJOXFKX-JTQLQIEISA-N 0 0 318.420 0.587 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1Cc1ccc(CO)o1)N1CCOCC1 ZINC000299744038 534599430 /nfs/dbraw/zinc/59/94/30/534599430.db2.gz NNKOHIDARZFSCO-RISCZKNCSA-N 0 0 312.341 0.543 10 0 DCAERN CC[C@H](C)[C@H](O)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000155117859 521988490 /nfs/dbraw/zinc/98/84/90/521988490.db2.gz XIUIVLNSPNZATK-SMDDNHRTSA-N 0 0 308.378 0.948 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CO)ccc1F ZINC000126761186 522257534 /nfs/dbraw/zinc/25/75/34/522257534.db2.gz AIWFIBRFMBDTNT-QMMMGPOBSA-N 0 0 304.343 0.187 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N[C@H](C)[C@H](C)CO ZINC000158836195 522290731 /nfs/dbraw/zinc/29/07/31/522290731.db2.gz HEHQABDKGPINMW-NXEZZACHSA-N 0 0 301.364 0.768 10 0 DCAERN CN(CC(=O)NC1CC1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157851812 522463485 /nfs/dbraw/zinc/46/34/85/522463485.db2.gz KFEUHWBAHBSKHK-UHFFFAOYSA-N 0 0 316.404 0.502 10 0 DCAERN 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BXZLPXCRNJLNDE-VIFPVBQESA-N 0 0 300.309 0.571 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC000247489735 523299839 /nfs/dbraw/zinc/29/98/39/523299839.db2.gz LLMALFGOZQBTHG-PWSUYJOCSA-N 0 0 312.391 0.974 10 0 DCAERN CO[C@@H](C)CNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000190640848 523417222 /nfs/dbraw/zinc/41/72/22/523417222.db2.gz QISFLZNMYHDUBL-RYUDHWBXSA-N 0 0 323.397 0.558 10 0 DCAERN COC(=O)N[C@@H](C(=O)N1CCC(Cn2cncn2)CC1)C(C)C ZINC000188196632 523456483 /nfs/dbraw/zinc/45/64/83/523456483.db2.gz DVALCLRMUWMYCM-CYBMUJFWSA-N 0 0 323.397 0.897 10 0 DCAERN CN(Cc1ncc(Cl)n1C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000181008681 523578940 /nfs/dbraw/zinc/57/89/40/523578940.db2.gz GPJGOIPPUPPXFH-JTQLQIEISA-N 0 0 315.805 0.546 10 0 DCAERN CN1C(=O)N[C@@]2(CCN(C(=O)C[C@H](O)CC(C)(C)C)C2)C1=O ZINC000365958824 523719930 /nfs/dbraw/zinc/71/99/30/523719930.db2.gz AEBJFXOQPJWAET-ZUZCIYMTSA-N 0 0 311.382 0.326 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1nnc(-c2ccccc2)n1C ZINC000158645716 523791245 /nfs/dbraw/zinc/79/12/45/523791245.db2.gz GGBICQGTDXPKAA-STQMWFEESA-N 0 0 316.361 0.590 10 0 DCAERN CN1CCC[C@@]2(CCN(c3cncc(OCCO)n3)C2)C1=O ZINC000372490810 523836729 /nfs/dbraw/zinc/83/67/29/523836729.db2.gz LOUXSDBSFPHQEH-HNNXBMFYSA-N 0 0 306.366 0.296 10 0 DCAERN COCCN1CCN(C(=O)Nc2cn(C)c(=O)cc2C)C[C@H]1C ZINC000162015163 523846145 /nfs/dbraw/zinc/84/61/45/523846145.db2.gz IXWORKNJFUTUPE-CYBMUJFWSA-N 0 0 322.409 0.878 10 0 DCAERN CN1CCO[C@H](CNC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000245471468 523948713 /nfs/dbraw/zinc/94/87/13/523948713.db2.gz OALJZWZGONYPKB-XUSGNXJCSA-N 0 0 311.407 0.876 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cccnc2OCC(F)F)C1 ZINC000124854289 523950860 /nfs/dbraw/zinc/95/08/60/523950860.db2.gz FAAFRAANLWXKRP-SNVBAGLBSA-N 0 0 315.320 0.786 10 0 DCAERN CN1C[C@H](NC(=O)N(CCO)Cc2ccccc2)CCC1=O ZINC000162861968 524022249 /nfs/dbraw/zinc/02/22/49/524022249.db2.gz YZROSHUSHSLISI-CQSZACIVSA-N 0 0 305.378 0.811 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@](C)(O)c2ccccc2)CCC1=O ZINC000128731142 524023784 /nfs/dbraw/zinc/02/37/84/524023784.db2.gz NXLWUTVJGANSOV-CJNGLKHVSA-N 0 0 305.378 0.814 10 0 DCAERN COCCO[C@@H]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000189491056 524031595 /nfs/dbraw/zinc/03/15/95/524031595.db2.gz JBXFGZPIKCYFMQ-GFCCVEGCSA-N 0 0 319.361 0.594 10 0 DCAERN COCCOc1cc(C)ccc1CNC(=O)[C@H]1CNC(=O)C1 ZINC000132162304 524039674 /nfs/dbraw/zinc/03/96/74/524039674.db2.gz DHSNAWPSXGNWHY-CYBMUJFWSA-N 0 0 306.362 0.773 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189156620 524215667 /nfs/dbraw/zinc/21/56/67/524215667.db2.gz JNYKSKMTEQKNPP-RISCZKNCSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246917266 524241370 /nfs/dbraw/zinc/24/13/70/524241370.db2.gz IQPMREJRBKJFDJ-ZIAGYGMSSA-N 0 0 317.455 0.370 10 0 DCAERN Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)c1 ZINC000156468700 524397922 /nfs/dbraw/zinc/39/79/22/524397922.db2.gz YKDNUSRZOBBWAC-YPMHNXCESA-N 0 0 303.362 0.949 10 0 DCAERN O=C(NC1CC1)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186880707 534789173 /nfs/dbraw/zinc/78/91/73/534789173.db2.gz ZPUQSBKWHPDMIQ-UHFFFAOYSA-N 0 0 303.366 0.214 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189939618 524519327 /nfs/dbraw/zinc/51/93/27/524519327.db2.gz ZFSKFCJXCHNAAL-UHFFFAOYSA-N 0 0 319.409 0.810 10 0 DCAERN C[C@H](CO)N(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188341378 524538224 /nfs/dbraw/zinc/53/82/24/524538224.db2.gz ADKNGWSHDHDMMS-RISCZKNCSA-N 0 0 323.368 0.949 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CCC1=O ZINC000195460817 524659307 /nfs/dbraw/zinc/65/93/07/524659307.db2.gz CKMAWMYEQLQAMC-NSHDSACASA-N 0 0 324.402 0.988 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CCS1(=O)=O ZINC000159168562 525041245 /nfs/dbraw/zinc/04/12/45/525041245.db2.gz RVCFXLVCMPXPAN-LLVKDONJSA-N 0 0 303.405 0.635 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@H]2CCCOC2)C[C@H](C)O1 ZINC000245942814 525044163 /nfs/dbraw/zinc/04/41/63/525044163.db2.gz VLHWZQSSEFWCHQ-FRRDWIJNSA-N 0 0 306.428 0.699 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)C[C@H](C)O1 ZINC000249784945 525045194 /nfs/dbraw/zinc/04/51/94/525045194.db2.gz MADSKOBIBIKRAX-MLGHIDQZSA-N 0 0 304.412 0.498 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccccc2)[C@H](C)CO1 ZINC000246226692 525046412 /nfs/dbraw/zinc/04/64/12/525046412.db2.gz WJPDCAZHAOKOAW-YRGRVCCFSA-N 0 0 314.407 0.664 10 0 DCAERN Cc1ccccc1C(=O)N[C@H](C(=O)NC(CO)CO)C(C)C ZINC000132497364 525059414 /nfs/dbraw/zinc/05/94/14/525059414.db2.gz QJHJSJLLMLPNGT-AWEZNQCLSA-N 0 0 308.378 0.219 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008606 525163242 /nfs/dbraw/zinc/16/32/42/525163242.db2.gz BTBUQGWOGKJSHH-SNVBAGLBSA-N 0 0 310.379 0.694 10 0 DCAERN Cc1ccccc1OC[C@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981361 525313582 /nfs/dbraw/zinc/31/35/82/525313582.db2.gz VAALAJGCQMMSNT-OAHLLOKOSA-N 0 0 304.390 0.945 10 0 DCAERN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[C@H](C)CO ZINC000126867059 525315107 /nfs/dbraw/zinc/31/51/07/525315107.db2.gz MOBGLADSILKSOV-HTQZYQBOSA-N 0 0 320.798 0.734 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000130797662 525327077 /nfs/dbraw/zinc/32/70/77/525327077.db2.gz AWLBGUKJICDWAV-GFCCVEGCSA-N 0 0 316.361 0.612 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCCC1 ZINC000114608115 525425497 /nfs/dbraw/zinc/42/54/97/525425497.db2.gz BMYDNQHZLXLYLH-UHFFFAOYSA-N 0 0 310.375 0.959 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000156456617 525641479 /nfs/dbraw/zinc/64/14/79/525641479.db2.gz BYCADKVEWLSNPG-UWVGGRQHSA-N 0 0 300.380 0.389 10 0 DCAERN Cc1nc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)s1 ZINC000179053822 534872137 /nfs/dbraw/zinc/87/21/37/534872137.db2.gz DIXHJXBMCUTQSC-UHFFFAOYSA-N 0 0 317.436 0.914 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1ccc(CO)c(F)c1)[C@@H](C)CO ZINC000190437728 525772705 /nfs/dbraw/zinc/77/27/05/525772705.db2.gz FLWOWDZAGYGFMX-WDEREUQCSA-N 0 0 314.357 0.591 10 0 DCAERN COc1cccc(C(=O)NCC(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000188626189 525813770 /nfs/dbraw/zinc/81/37/70/525813770.db2.gz KLYKUSYAAHAYTJ-LLVKDONJSA-N 0 0 304.346 0.863 10 0 DCAERN C[C@H](C(=O)N1CCCNC(=O)[C@@H]1C)n1nnnc1C(C)(C)C ZINC000365087607 525968054 /nfs/dbraw/zinc/96/80/54/525968054.db2.gz GHWFVOHLMOYYQD-VHSXEESVSA-N 0 0 308.386 0.269 10 0 DCAERN Cc1cnc(CCN(C)CC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000157703417 525993432 /nfs/dbraw/zinc/99/34/32/525993432.db2.gz PLOIFBDSVUPFOR-LBPRGKRZSA-N 0 0 324.450 0.650 10 0 DCAERN C[C@H](C(=O)N1CCc2sccc2C1)N1CCO[C@@H](CO)C1 ZINC000267575593 526000820 /nfs/dbraw/zinc/00/08/20/526000820.db2.gz DLXYTLYVIZDCSL-DGCLKSJQSA-N 0 0 310.419 0.714 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000188887405 526202333 /nfs/dbraw/zinc/20/23/33/526202333.db2.gz CKQGILLUKJTVCN-NSHDSACASA-N 0 0 303.366 0.427 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCCc2ccccc21 ZINC000113402861 526298119 /nfs/dbraw/zinc/29/81/19/526298119.db2.gz FHSRXXQUDGQAJS-ZDUSSCGKSA-N 0 0 316.361 0.915 10 0 DCAERN Cc1csc(C2(NC(=O)CN3CC(=O)NC3=O)CCCC2)n1 ZINC000134924185 526322997 /nfs/dbraw/zinc/32/29/97/526322997.db2.gz HDKNZWQSXWTLJB-UHFFFAOYSA-N 0 0 322.390 0.889 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000330742094 526575827 /nfs/dbraw/zinc/57/58/27/526575827.db2.gz QCZNAMQVOUYKMY-NXEZZACHSA-N 0 0 321.299 0.277 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@H]2CN2CCOCC2)c(=O)[nH]c1C ZINC000156496111 526641133 /nfs/dbraw/zinc/64/11/33/526641133.db2.gz YSGSOCRVTLMTSE-ZDUSSCGKSA-N 0 0 320.393 0.324 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)NC2CCN(CC(F)(F)F)CC2)C1 ZINC000176229613 526657970 /nfs/dbraw/zinc/65/79/70/526657970.db2.gz YOUVISSBSGAMLS-NSHDSACASA-N 0 0 321.343 0.998 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000331002106 526678410 /nfs/dbraw/zinc/67/84/10/526678410.db2.gz QYUIESPYQADKIW-GXSJLCMTSA-N 0 0 302.396 0.706 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCOC1CCOCC1 ZINC000332568910 526678844 /nfs/dbraw/zinc/67/88/44/526678844.db2.gz VZJGQDYKTSIGRW-ZDUSSCGKSA-N 0 0 316.423 0.610 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000128277331 526720671 /nfs/dbraw/zinc/72/06/71/526720671.db2.gz RGMCKHBMLXCCHQ-ZDUSSCGKSA-N 0 0 301.346 0.629 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)NC[C@@]1(O)CCSC1 ZINC000267089062 526804529 /nfs/dbraw/zinc/80/45/29/526804529.db2.gz UJXNHQGPJKJYGU-AWEZNQCLSA-N 0 0 310.423 0.887 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCCn2ncnc21 ZINC000176579844 526876818 /nfs/dbraw/zinc/87/68/18/526876818.db2.gz XDSXRWSHUZRTDG-MWLCHTKSSA-N 0 0 304.354 0.176 10 0 DCAERN NC(=O)C[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1 ZINC000158244219 526902204 /nfs/dbraw/zinc/90/22/04/526902204.db2.gz MQKMGSOLCLYWTK-MRVPVSSYSA-N 0 0 304.119 0.729 10 0 DCAERN O=C(c1nccn2ccnc12)N1CC[C@](O)(C(F)(F)F)C1 ZINC000266551736 526923391 /nfs/dbraw/zinc/92/33/91/526923391.db2.gz IIOPPHCEUCPLHK-LLVKDONJSA-N 0 0 300.240 0.869 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(-n2ccnn2)c1 ZINC000133940603 526958511 /nfs/dbraw/zinc/95/85/11/526958511.db2.gz WKLOEQYQOWJCPB-GFCCVEGCSA-N 0 0 309.333 0.604 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CNc2ccc3c(c2)C(=O)NC3)C1 ZINC000154830996 527002094 /nfs/dbraw/zinc/00/20/94/527002094.db2.gz VNJQMRTZTYQOGF-NSHDSACASA-N 0 0 316.361 0.066 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC(C(F)(F)F)CC2)c1=O ZINC000267583084 527076247 /nfs/dbraw/zinc/07/62/47/527076247.db2.gz JKEXEJIVBFPVSC-UHFFFAOYSA-N 0 0 305.256 0.900 10 0 DCAERN O=C1N[C@@H](c2cnn(Cc3ccc(F)cc3)c2)N2CCOC[C@@H]12 ZINC000187066543 527083892 /nfs/dbraw/zinc/08/38/92/527083892.db2.gz KLRRTZZMMNRDJS-LSDHHAIUSA-N 0 0 316.336 0.900 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)c1Cl ZINC000372260724 527487520 /nfs/dbraw/zinc/48/75/20/527487520.db2.gz JOWXZNKQMAKAAG-SECBINFHSA-N 0 0 305.787 0.873 10 0 DCAERN OC[C@@H]1CCCN1c1cc(NCC2(CO)CCOCC2)ncn1 ZINC000164081235 527589852 /nfs/dbraw/zinc/58/98/52/527589852.db2.gz KTAGZBVSQLHOEG-ZDUSSCGKSA-N 0 0 322.409 0.639 10 0 DCAERN Cn1nccc1C1CCN(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000159152692 527598185 /nfs/dbraw/zinc/59/81/85/527598185.db2.gz NKKOKMRHKAVMNH-CQSZACIVSA-N 0 0 321.425 0.640 10 0 DCAERN CCC1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC000177389237 527716057 /nfs/dbraw/zinc/71/60/57/527716057.db2.gz IVNACWIDQOBJIL-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CC(C)CN1CCN(C(=O)CNC(=O)c2cccnc2)CC1=O ZINC000186847118 527993630 /nfs/dbraw/zinc/99/36/30/527993630.db2.gz VPPZJAAYLABICS-UHFFFAOYSA-N 0 0 318.377 0.138 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000178716790 528017541 /nfs/dbraw/zinc/01/75/41/528017541.db2.gz BNQHENJLSWQNGJ-WDEREUQCSA-N 0 0 312.414 0.492 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000299754330 528363050 /nfs/dbraw/zinc/36/30/50/528363050.db2.gz RHAYXKWHNXXIHU-CYBMUJFWSA-N 0 0 316.427 0.770 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000187386914 528807571 /nfs/dbraw/zinc/80/75/71/528807571.db2.gz FJGROGXYAHTTDV-XQQFMLRXSA-N 0 0 318.439 0.610 10 0 DCAERN CCOC[C@@H]1CCN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000177544667 528938789 /nfs/dbraw/zinc/93/87/89/528938789.db2.gz FGYHOLUZPBYUDR-RWMBFGLXSA-N 0 0 306.428 0.699 10 0 DCAERN CC(C)N1CC[C@@H](N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1=O ZINC000299753513 529064565 /nfs/dbraw/zinc/06/45/65/529064565.db2.gz YJJBHNCDRZSXNK-NWDGAFQWSA-N 0 0 320.397 0.023 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C(=O)NC)C(C)C ZINC000178425607 529166175 /nfs/dbraw/zinc/16/61/75/529166175.db2.gz HTUKUFLDDUYGOB-AXFHLTTASA-N 0 0 300.403 0.359 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCc2cc(C)no2)CC12COC2 ZINC000454438605 535668086 /nfs/dbraw/zinc/66/80/86/535668086.db2.gz WITKPABQUGZBBU-GFCCVEGCSA-N 0 0 323.349 0.704 10 0 DCAERN CCOc1ccc(CCC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000285493693 535714882 /nfs/dbraw/zinc/71/48/82/535714882.db2.gz LTQXDJZZKILDRI-QGZVFWFLSA-N 0 0 320.389 0.857 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)c1 ZINC000441196503 536602733 /nfs/dbraw/zinc/60/27/33/536602733.db2.gz JSVINGPWUGCXII-IJSAXESFSA-N 0 0 314.338 0.410 10 0 DCAERN CO[C@@H]1CCN(C(=O)NCC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000441179939 536662723 /nfs/dbraw/zinc/66/27/23/536662723.db2.gz QKRWWVPBVQBPJQ-DTWKUNHWSA-N 0 0 311.304 0.874 10 0 DCAERN CC(C)(CNC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccncc1 ZINC000092512799 545722662 /nfs/dbraw/zinc/72/26/62/545722662.db2.gz AEMXWSJYZWYPER-UHFFFAOYSA-N 0 0 318.377 0.806 10 0 DCAERN COc1ccc(S(N)(=O)=O)cc1NCc1cnn(C)c1C ZINC000093649913 545727410 /nfs/dbraw/zinc/72/74/10/545727410.db2.gz QDDPOHJTVIQLPW-UHFFFAOYSA-N 0 0 310.379 0.997 10 0 DCAERN O=C(CCc1ccc2c(c1)OCCO2)N1CCS(=O)CC1 ZINC000108275666 545734447 /nfs/dbraw/zinc/73/44/47/545734447.db2.gz BYAGENAFUPZCTR-UHFFFAOYSA-N 0 0 309.387 0.981 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000119422815 545738414 /nfs/dbraw/zinc/73/84/14/545738414.db2.gz IVUPSRWZVLBKMH-DGCLKSJQSA-N 0 0 318.439 0.589 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC000121444746 545749198 /nfs/dbraw/zinc/74/91/98/545749198.db2.gz CFGOBTJUWLPBIA-LBPRGKRZSA-N 0 0 301.346 0.707 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000122039252 545751127 /nfs/dbraw/zinc/75/11/27/545751127.db2.gz SPQYNVUERDJXIM-AGIUHOORSA-N 0 0 321.381 0.182 10 0 DCAERN COCCCOC1CN(S(=O)(=O)N2CCCCCC2)C1 ZINC000155348754 545843667 /nfs/dbraw/zinc/84/36/67/545843667.db2.gz VHSSGKGXSRVYGD-UHFFFAOYSA-N 0 0 306.428 0.845 10 0 DCAERN CC1(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCC1 ZINC000176630893 545889645 /nfs/dbraw/zinc/88/96/45/545889645.db2.gz OLNCHTHLWFQOGV-NSHDSACASA-N 0 0 303.428 0.900 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000178139100 545895320 /nfs/dbraw/zinc/89/53/20/545895320.db2.gz QZJABFSNTVPXDF-GFCCVEGCSA-N 0 0 319.336 0.846 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)[C@H](C)CO ZINC000179413458 545899118 /nfs/dbraw/zinc/89/91/18/545899118.db2.gz UXZVKXDQDYQGSH-VXGBXAGGSA-N 0 0 316.361 0.944 10 0 DCAERN C[C@@]12CCC(=O)N1[C@H](C(=O)NCCCn1ccnn1)CS2 ZINC000182899687 545906629 /nfs/dbraw/zinc/90/66/29/545906629.db2.gz ATDOAWQATZJIDU-GXFFZTMASA-N 0 0 309.395 0.238 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NC(CO)CO)[C@H]1c1ccccc1 ZINC000183631482 545908191 /nfs/dbraw/zinc/90/81/91/545908191.db2.gz OXSIQNUNCKYWJS-DZGCQCFKSA-N 0 0 306.362 0.066 10 0 DCAERN O=C(NC1CN(S(=O)(=O)CC[C@@H]2CCCO2)C1)C1CCC1 ZINC000186185668 545913290 /nfs/dbraw/zinc/91/32/90/545913290.db2.gz PBLBTMISDIJTMB-ZDUSSCGKSA-N 0 0 316.423 0.486 10 0 DCAERN CCOc1cnc(C(=O)N2CCN([C@H](CC)CO)CC2)cn1 ZINC000186989578 545914182 /nfs/dbraw/zinc/91/41/82/545914182.db2.gz OBOJDASCNWSMQC-GFCCVEGCSA-N 0 0 308.382 0.404 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000188620453 545917697 /nfs/dbraw/zinc/91/76/97/545917697.db2.gz RAOUKEWHCKUEMK-SRVKXCTJSA-N 0 0 304.412 0.342 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CCCNC(=O)[C@@H]1C)C2 ZINC000188950268 545919369 /nfs/dbraw/zinc/91/93/69/545919369.db2.gz XZPLZKPYPCMDCJ-AAEUAGOBSA-N 0 0 318.373 0.983 10 0 DCAERN CCOc1cnc(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)cn1 ZINC000189616601 545921263 /nfs/dbraw/zinc/92/12/63/545921263.db2.gz FTTKNLUXHZJXQA-SNVBAGLBSA-N 0 0 316.365 0.774 10 0 DCAERN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000190232971 545922822 /nfs/dbraw/zinc/92/28/22/545922822.db2.gz CZLWBVWYMRSZCX-VXGBXAGGSA-N 0 0 305.353 0.999 10 0 DCAERN C[C@@H](CO)[C@H](C)Nc1cc(N[C@@H](C)[C@H](C)CO)nc2ncnn21 ZINC000192617222 545928157 /nfs/dbraw/zinc/92/81/57/545928157.db2.gz QITUGGYKPCSVEI-RHYQMDGZSA-N 0 0 322.413 0.982 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000194180348 545932262 /nfs/dbraw/zinc/93/22/62/545932262.db2.gz RFTJKGASLDYVGI-NEPJUHHUSA-N 0 0 312.414 0.601 10 0 DCAERN CN1CC[C@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000194757162 545933424 /nfs/dbraw/zinc/93/34/24/545933424.db2.gz ZUCASOQGZKYSEN-VIFPVBQESA-N 0 0 300.318 0.274 10 0 DCAERN COCCN(C(=O)c1ccn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000195244405 545934028 /nfs/dbraw/zinc/93/40/28/545934028.db2.gz NFMTUGJCRHGTIN-LBPRGKRZSA-N 0 0 314.407 0.609 10 0 DCAERN Cc1c(C(=O)NCCS(=O)(=O)NCC2CCC2)ccn1C ZINC000195253485 545934098 /nfs/dbraw/zinc/93/40/98/545934098.db2.gz ZDERUBZJPQITPG-UHFFFAOYSA-N 0 0 313.423 0.783 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CCCO1 ZINC000246187201 545963759 /nfs/dbraw/zinc/96/37/59/545963759.db2.gz NZFXEFWRIFTNCY-TZMCWYRMSA-N 0 0 318.439 0.876 10 0 DCAERN CC1(S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CC1 ZINC000333040947 546070134 /nfs/dbraw/zinc/07/01/34/546070134.db2.gz DZTGPVYLJRLSJM-MNOVXSKESA-N 0 0 320.386 0.140 10 0 DCAERN CCN1C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1=O ZINC000333240633 546075339 /nfs/dbraw/zinc/07/53/39/546075339.db2.gz ZSPOYRBYFSRRFK-ZENOOKHLSA-N 0 0 309.410 0.944 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCc2nnnn2CC1 ZINC000333799965 546092861 /nfs/dbraw/zinc/09/28/61/546092861.db2.gz XYFWZICRJIAABE-TUAOUCFPSA-N 0 0 308.386 0.228 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000347630981 546151715 /nfs/dbraw/zinc/15/17/15/546151715.db2.gz DZINBIQUZNJLKA-STQMWFEESA-N 0 0 310.394 0.842 10 0 DCAERN COc1cccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CO)c1 ZINC000380517174 546215714 /nfs/dbraw/zinc/21/57/14/546215714.db2.gz AXJWANBJXGAUSQ-JQWIXIFHSA-N 0 0 301.364 0.466 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000402947767 546227030 /nfs/dbraw/zinc/22/70/30/546227030.db2.gz PTLIRFUFSVXHQY-CYBMUJFWSA-N 0 0 300.380 0.431 10 0 DCAERN Cc1cn2nc(N[C@H]3CCN(Cc4cnnn4C)C3)ccc2n1 ZINC000681920924 548324315 /nfs/dbraw/zinc/32/43/15/548324315.db2.gz NYOBRSFNZHPNHQ-LBPRGKRZSA-N 0 0 312.381 0.853 10 0 DCAERN COC(=O)[C@@]1(O)CCN(C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000685960898 548748731 /nfs/dbraw/zinc/74/87/31/548748731.db2.gz GORRFJVOQULAER-XJKSGUPXSA-N 0 0 322.361 0.521 10 0 DCAERN CC[C@@H](O)c1cn(CCOC2CCS(=O)(=O)CC2)nn1 ZINC000725270441 548750233 /nfs/dbraw/zinc/75/02/33/548750233.db2.gz MZWWDCPKSPJSPF-GFCCVEGCSA-N 0 0 303.384 0.315 10 0 DCAERN COc1cc2c(cc1O)[C@H]1[C@H]3C(=C[C@H](CO)[C@H]1O)CC[N@@H+]3C2 ZINC000004097645 560194892 /nfs/dbraw/zinc/19/48/92/560194892.db2.gz TZJUAPRPYXCUDU-GLZXHMCRSA-N 0 0 303.358 0.982 10 0 in-vitro DCAERN C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1cnc(N)nc1 ZINC000094444243 661262427 /nfs/dbraw/zinc/26/24/27/661262427.db2.gz MOXLEWXTNLGGSQ-GHMZBOCLSA-N 0 0 311.411 0.306 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000717383752 667737059 /nfs/dbraw/zinc/73/70/59/667737059.db2.gz GHFFENVDSNVKRO-XRGYYRRGSA-N 0 0 323.574 0.969 10 0 DCAERN COC[C@H]1CN(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CCO1 ZINC000255370600 657526772 /nfs/dbraw/zinc/52/67/72/657526772.db2.gz ZVVMMTJCMOGFGP-TZMCWYRMSA-N 0 0 322.409 0.562 10 0 DCAERN CC[C@@H]1CN(CCS(=O)(=O)C(C)C)CCN1CCOC ZINC000178222820 657576787 /nfs/dbraw/zinc/57/67/87/657576787.db2.gz MWGQMRSRBNNDJH-CQSZACIVSA-N 0 0 306.472 0.852 10 0 DCAERN O=C(CNC(=O)c1cccc(Cl)c1)N1CCOC[C@H]1CO ZINC000168451327 657894839 /nfs/dbraw/zinc/89/48/39/657894839.db2.gz ZPGNMXGEJBZZAF-GFCCVEGCSA-N 0 0 312.753 0.290 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000344880298 657920102 /nfs/dbraw/zinc/92/01/02/657920102.db2.gz CRISMQNTKVJVIY-UWVGGRQHSA-N 0 0 301.364 0.911 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)Cc1nc[nH]n1 ZINC000255583514 657958697 /nfs/dbraw/zinc/95/86/97/657958697.db2.gz OEKIRYHHPHPYCI-SNVBAGLBSA-N 0 0 303.370 0.465 10 0 DCAERN CC(C)(C)CCc1noc(C[C@H]2CNCCS2(=O)=O)n1 ZINC000725003973 658015935 /nfs/dbraw/zinc/01/59/35/658015935.db2.gz XFGSMYGTZAJOAE-JTQLQIEISA-N 0 0 301.412 0.977 10 0 DCAERN CC(C)(C)CCc1noc(C[C@@H]2CNCCS2(=O)=O)n1 ZINC000725003974 658017454 /nfs/dbraw/zinc/01/74/54/658017454.db2.gz XFGSMYGTZAJOAE-SNVBAGLBSA-N 0 0 301.412 0.977 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CNCCS2(=O)=O)[C@@H]1C ZINC000725018425 658022943 /nfs/dbraw/zinc/02/29/43/658022943.db2.gz NZPBYNMDVCGTNI-LPWJVIDDSA-N 0 0 302.440 0.704 10 0 DCAERN C#CCNC(=O)CN(CC(=O)NCC#C)Cc1cccs1 ZINC000047613705 658023180 /nfs/dbraw/zinc/02/31/80/658023180.db2.gz DGWQJORZQACKNQ-UHFFFAOYSA-N 0 0 303.387 0.049 10 0 DCAERN CO[C@@H]1CC[C@H]1N(C)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000724184755 658040200 /nfs/dbraw/zinc/04/02/00/658040200.db2.gz OZQCPOOOPMMDKC-RKDXNWHRSA-N 0 0 304.393 0.645 10 0 DCAERN COC(=O)[C@H]1COCCN1S(=O)(=O)c1c(C)csc1C ZINC000725084335 658128838 /nfs/dbraw/zinc/12/88/38/658128838.db2.gz ZXPYCPCTAQFNPU-SNVBAGLBSA-N 0 0 319.404 0.927 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)CCc2cnn(C)c2)C1 ZINC000176872701 658185791 /nfs/dbraw/zinc/18/57/91/658185791.db2.gz JYSHIFNOQDONOT-AWEZNQCLSA-N 0 0 323.393 0.923 10 0 DCAERN Cn1ncc(NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1=O ZINC000724345740 658196147 /nfs/dbraw/zinc/19/61/47/658196147.db2.gz VIZVEFIEXUUCEH-CBLAIPOGSA-N 0 0 317.798 0.954 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC2(C1)OCCO2 ZINC000255050814 658515607 /nfs/dbraw/zinc/51/56/07/658515607.db2.gz MOWLOLHOPPJREO-GFCCVEGCSA-N 0 0 320.393 0.663 10 0 DCAERN COC(=O)CN1C(=O)N/C(=C\c2cc(OC)ccc2OC)C1=O ZINC000096544550 658620055 /nfs/dbraw/zinc/62/00/55/658620055.db2.gz LINNNCDMNMYYDN-XFFZJAGNSA-N 0 0 320.301 0.770 10 0 DCAERN CC(C)CN(CC(N)=O)CC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 ZINC000255830620 658647430 /nfs/dbraw/zinc/64/74/30/658647430.db2.gz JGCDAUPYBFLFRD-GFCCVEGCSA-N 0 0 321.425 0.658 10 0 DCAERN O=c1c(Br)cncn1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724671945 658909167 /nfs/dbraw/zinc/90/91/67/658909167.db2.gz ZNZGXXZNVVHOQE-OYNCUSHFSA-N 0 0 301.140 0.810 10 0 DCAERN NC(=O)CONC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000180365507 659010432 /nfs/dbraw/zinc/01/04/32/659010432.db2.gz HQYVXTZPMVOIAS-UHFFFAOYSA-N 0 0 313.111 0.472 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)NCC3(C)OCCO3)cnc12 ZINC000180444744 659023394 /nfs/dbraw/zinc/02/33/94/659023394.db2.gz VMVZUZXSNLXQDL-UHFFFAOYSA-N 0 0 303.318 0.496 10 0 DCAERN O=C(NCCCF)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000181554192 659058667 /nfs/dbraw/zinc/05/86/67/659058667.db2.gz XHNNLUYZLUOPCN-RYUDHWBXSA-N 0 0 315.301 0.648 10 0 DCAERN C=CCNC(=O)CN1CCN(Cc2nnc(C(C)(C)C)o2)CC1 ZINC000027224313 659109041 /nfs/dbraw/zinc/10/90/41/659109041.db2.gz FFMNZGWGZIKVKK-UHFFFAOYSA-N 0 0 321.425 0.787 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCCS1(=O)=O)c1ccccc1 ZINC000069712122 665658350 /nfs/dbraw/zinc/65/83/50/665658350.db2.gz NGKPGPQSOSGMLP-ZDUSSCGKSA-N 0 0 310.375 0.816 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000188026803 659323924 /nfs/dbraw/zinc/32/39/24/659323924.db2.gz KASJSXIRGSGRCI-WDEREUQCSA-N 0 0 315.395 0.681 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000333327091 659775676 /nfs/dbraw/zinc/77/56/76/659775676.db2.gz YARORUPNJNNFBY-GFCCVEGCSA-N 0 0 317.393 0.795 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@H](C)N2CCOCC2)[nH]1 ZINC000333278700 659777575 /nfs/dbraw/zinc/77/75/75/659777575.db2.gz OZKFREIAWJEWPX-JTQLQIEISA-N 0 0 303.366 0.717 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@@H](C)N2CCOCC2)[nH]1 ZINC000333278701 659777950 /nfs/dbraw/zinc/77/79/50/659777950.db2.gz OZKFREIAWJEWPX-SNVBAGLBSA-N 0 0 303.366 0.717 10 0 DCAERN O=C(NCc1ccccc1-n1cccn1)N1CCCNC(=O)C1 ZINC000726853143 661677916 /nfs/dbraw/zinc/67/79/16/661677916.db2.gz WKUIJWKHDBIYQH-UHFFFAOYSA-N 0 0 313.361 0.904 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N1CCCNC(=O)C1 ZINC000726858000 661678205 /nfs/dbraw/zinc/67/82/05/661678205.db2.gz TZXAETNTIUQOFP-UHFFFAOYSA-N 0 0 317.345 0.299 10 0 DCAERN CCCC(=O)NCC(=O)OCc1cc(=O)n2ccsc2n1 ZINC000047811294 661731980 /nfs/dbraw/zinc/73/19/80/661731980.db2.gz JKQXSNSQZBAPNA-UHFFFAOYSA-N 0 0 309.347 0.716 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000338932745 661807624 /nfs/dbraw/zinc/80/76/24/661807624.db2.gz CGAKQDTXDIEVTL-LBPRGKRZSA-N 0 0 313.423 0.235 10 0 DCAERN CN(C)C(=O)C[C@@]1(O)CCCN(c2nccn3ccnc23)C1 ZINC000894305263 661842356 /nfs/dbraw/zinc/84/23/56/661842356.db2.gz FDWSBHNZHDBQED-HNNXBMFYSA-N 0 0 303.366 0.539 10 0 DCAERN Ic1cnc(NCc2cn[nH]n2)nc1 ZINC000306186431 662019008 /nfs/dbraw/zinc/01/90/08/662019008.db2.gz SHOMNLRYCHWIML-UHFFFAOYSA-N 0 0 302.079 0.811 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000338950589 662093057 /nfs/dbraw/zinc/09/30/57/662093057.db2.gz YRSVKHGNQXPOHW-GFCCVEGCSA-N 0 0 307.375 0.323 10 0 DCAERN CCCCc1noc([C@H](C)OC(=O)Cn2ccc(=O)[nH]c2=O)n1 ZINC000728319137 662377387 /nfs/dbraw/zinc/37/73/87/662377387.db2.gz ABSNQYFQHLCYKE-VIFPVBQESA-N 0 0 322.321 0.979 10 0 DCAERN C[C@H]1CN(C)C[C@H](C(=O)NCc2nc(C(F)(F)F)no2)O1 ZINC000897358593 662515101 /nfs/dbraw/zinc/51/51/01/662515101.db2.gz WBEITXCFUXHWJS-NKWVEPMBSA-N 0 0 308.260 0.424 10 0 DCAERN CC(=O)N1C[C@@H](C(=O)OC[C@H]2COCCO2)Oc2ccccc21 ZINC000729105339 662634443 /nfs/dbraw/zinc/63/44/43/662634443.db2.gz GFWBCVOXAFGRPL-DOMZBBRYSA-N 0 0 321.329 0.759 10 0 DCAERN O=C(CO)N[N-]C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000182744414 665894542 /nfs/dbraw/zinc/89/45/42/665894542.db2.gz VVNNHBYPYOVXSU-UHFFFAOYSA-N 0 0 313.111 0.079 10 0 DCAERN Cc1cn(C(C)(C)C(=O)N2CC[C@@](O)(c3nc(C)no3)C2)cn1 ZINC000897572744 662905497 /nfs/dbraw/zinc/90/54/97/662905497.db2.gz GTVXHUMBZQMEBU-HNNXBMFYSA-N 0 0 319.365 0.738 10 0 DCAERN CC(C)[C@@H](OC(=O)CCN1CCCS1(=O)=O)C(=O)N(C)C ZINC000729707413 662907625 /nfs/dbraw/zinc/90/76/25/662907625.db2.gz VIGAAUDFWNTYQU-GFCCVEGCSA-N 0 0 320.411 0.068 10 0 DCAERN CN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCCCNC1=O ZINC000729851744 662911130 /nfs/dbraw/zinc/91/11/30/662911130.db2.gz KLAGENYZGCYUNF-LBPRGKRZSA-N 0 0 319.361 0.954 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H](CO)COC(C)C ZINC000432625997 662915765 /nfs/dbraw/zinc/91/57/65/662915765.db2.gz DZUSRXVPQWZPAA-NWDGAFQWSA-N 0 0 304.412 0.152 10 0 DCAERN COC1(OC)CC2(CN(C(=O)[C@@H](C)NC(N)=O)[C@H]2C(C)C)C1 ZINC000898358558 662950782 /nfs/dbraw/zinc/95/07/82/662950782.db2.gz CUKCPRXYCHSATP-MNOVXSKESA-N 0 0 313.398 0.679 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C)[C@@H](C)O)c1 ZINC000344896175 663079982 /nfs/dbraw/zinc/07/99/82/663079982.db2.gz GFDFKFCZRVIVRD-VHSXEESVSA-N 0 0 301.364 0.662 10 0 DCAERN C[C@@H](O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000344895666 663079989 /nfs/dbraw/zinc/07/99/89/663079989.db2.gz XMOQHVBHNSMTQV-JGVFFNPUSA-N 0 0 300.336 0.179 10 0 DCAERN O=C(CNC(=O)N1CCCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000901077368 663315246 /nfs/dbraw/zinc/31/52/46/663315246.db2.gz XEHLSBBFAHSZQH-CQSZACIVSA-N 0 0 318.377 0.867 10 0 DCAERN COC(=O)[C@H]1CSCN1C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000907882044 663722044 /nfs/dbraw/zinc/72/20/44/663722044.db2.gz QFBHIGJGTHEBEE-NWDGAFQWSA-N 0 0 320.370 0.936 10 0 DCAERN Cc1nn(CC(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c(C)c1Cl ZINC000909161127 663784825 /nfs/dbraw/zinc/78/48/25/663784825.db2.gz CNDYQMACFCXQTH-UHIISALHSA-N 0 0 323.784 0.841 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCOC[C@H]2CO)c1 ZINC000912432739 664172216 /nfs/dbraw/zinc/17/22/16/664172216.db2.gz YOYQOUKBSIMVIS-CQSZACIVSA-N 0 0 306.362 0.253 10 0 DCAERN O=C(Cc1ccc2c(c1)OC(F)(F)O2)N1CCOC[C@@H]1CO ZINC000912415957 664173155 /nfs/dbraw/zinc/17/31/55/664173155.db2.gz XNGZWAAJTYOERB-JTQLQIEISA-N 0 0 315.272 0.770 10 0 DCAERN O=C(c1cn(Cc2cccc(F)c2)nn1)N1CCOC[C@H]1CO ZINC000912418799 664173916 /nfs/dbraw/zinc/17/39/16/664173916.db2.gz POMKCBRQUJXIRJ-CYBMUJFWSA-N 0 0 320.324 0.299 10 0 DCAERN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCOC[C@@H]1CO ZINC000912422370 664174461 /nfs/dbraw/zinc/17/44/61/664174461.db2.gz PIYZJFVCJAXDJU-JSGCOSHPSA-N 0 0 304.346 0.259 10 0 DCAERN CC1CCC2(CC1)NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000044781081 664371128 /nfs/dbraw/zinc/37/11/28/664371128.db2.gz JHLXOCDTHOOBNH-UHFFFAOYSA-N 0 0 308.382 0.267 10 0 DCAERN Cc1nnc(NC(=O)CCC(=O)NCC2(CO)CCC2)s1 ZINC000223248073 664404675 /nfs/dbraw/zinc/40/46/75/664404675.db2.gz MPAAGFGEVIUNBB-UHFFFAOYSA-N 0 0 312.395 0.844 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CN3C(=O)CC(C)(C)C3=O)[C@H]2C1 ZINC000165283683 664407517 /nfs/dbraw/zinc/40/75/17/664407517.db2.gz QSDLNQMYONEYLC-AGIUHOORSA-N 0 0 310.394 0.997 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)nn2c1OCC2 ZINC000223831221 664423868 /nfs/dbraw/zinc/42/38/68/664423868.db2.gz OTQTZLYVMFJFFF-GFCCVEGCSA-N 0 0 320.393 0.961 10 0 DCAERN CC(=O)NCCNC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000439707351 664432948 /nfs/dbraw/zinc/43/29/48/664432948.db2.gz QGGAKHPLEMRPME-JTQLQIEISA-N 0 0 308.386 0.624 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@@H](C(N)=O)O1 ZINC000157591166 664481901 /nfs/dbraw/zinc/48/19/01/664481901.db2.gz DHVYAEHPTMDCMK-RNCFNFMXSA-N 0 0 316.313 0.508 10 0 DCAERN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCOC[C@@H]1CO ZINC000168598835 664526537 /nfs/dbraw/zinc/52/65/37/664526537.db2.gz NAKYJBDLKHHERY-JTQLQIEISA-N 0 0 313.737 0.945 10 0 DCAERN O=S(=O)(c1cccc2c1N=S=N2)N1CCOC[C@H]1CO ZINC000168668924 664527624 /nfs/dbraw/zinc/52/76/24/664527624.db2.gz CFBSNPPVEYCCIR-MRVPVSSYSA-N 0 0 315.376 0.795 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1C ZINC000168649687 664527865 /nfs/dbraw/zinc/52/78/65/664527865.db2.gz KVQUUBLHPWCQNC-NSHDSACASA-N 0 0 301.364 0.385 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000440874241 664561922 /nfs/dbraw/zinc/56/19/22/664561922.db2.gz WARQMTURDMIXFW-ZMLRMANQSA-N 0 0 302.396 0.218 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)c1cccc(F)c1 ZINC000171268562 664606793 /nfs/dbraw/zinc/60/67/93/664606793.db2.gz KILRRDWLOWIBSE-OLZOCXBDSA-N 0 0 312.366 0.897 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@H](Cc3noc(C)n3)C2)n1 ZINC000171357653 664607517 /nfs/dbraw/zinc/60/75/17/664607517.db2.gz JYMCITXLVMXEKW-LLVKDONJSA-N 0 0 320.353 0.668 10 0 DCAERN CC(C)[C@H](C)CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000172451734 664621737 /nfs/dbraw/zinc/62/17/37/664621737.db2.gz JPGMHPUVLIQEPR-LLVKDONJSA-N 0 0 311.407 0.892 10 0 DCAERN CN1C(=O)OC[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000062633674 664622100 /nfs/dbraw/zinc/62/21/00/664622100.db2.gz VOUBSTMFPUPMIY-CYBMUJFWSA-N 0 0 307.325 0.925 10 0 DCAERN O=C1C[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)CN1 ZINC000231139538 664626454 /nfs/dbraw/zinc/62/64/54/664626454.db2.gz OOHPAHMWWNJZCJ-ZETCQYMHSA-N 0 0 314.754 0.155 10 0 DCAERN CC[C@@H]1C(=O)NCCN1Cn1ncc2cc(C(=O)OC)ccc21 ZINC000730253726 664667254 /nfs/dbraw/zinc/66/72/54/664667254.db2.gz GIHSQZHIPKTWGK-CYBMUJFWSA-N 0 0 316.361 0.991 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C(N)=O)c1ccccc1 ZINC000730307447 664681883 /nfs/dbraw/zinc/68/18/83/664681883.db2.gz NMUZCXUGXFDIEY-NEPJUHHUSA-N 0 0 308.359 0.678 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)NCC(C)C ZINC000730307202 664681885 /nfs/dbraw/zinc/68/18/85/664681885.db2.gz ARQRGOBBPIMZHX-KOLCDFICSA-N 0 0 302.396 0.612 10 0 DCAERN Cn1cc(/C=C/C(=O)OCc2ccccc2F)c(=O)n(C)c1=O ZINC000029965116 664710250 /nfs/dbraw/zinc/71/02/50/664710250.db2.gz MTXDWLUXZRCVRC-BQYQJAHWSA-N 0 0 318.304 0.980 10 0 DCAERN CCCCCCOCC(=O)NCCN1CCN(C(C)=O)CC1 ZINC000730771624 664805784 /nfs/dbraw/zinc/80/57/84/664805784.db2.gz FAVCTIXHLLOBPR-UHFFFAOYSA-N 0 0 313.442 0.864 10 0 DCAERN CCOC(=O)C1=C(COC(=O)C2=COCCC2)NC(=O)N[C@H]1C ZINC000730852380 664820743 /nfs/dbraw/zinc/82/07/43/664820743.db2.gz OXAJSCWEXHPNMS-VIFPVBQESA-N 0 0 324.333 0.742 10 0 DCAERN CC[S@](=O)CCNC(=O)N(C)Cc1nnc2ccccn21 ZINC000741423552 664842268 /nfs/dbraw/zinc/84/22/68/664842268.db2.gz FRWLTOYKGVYALQ-NRFANRHFSA-N 0 0 309.395 0.639 10 0 DCAERN CCS(=O)(=O)CCNC(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000733103992 665070796 /nfs/dbraw/zinc/07/07/96/665070796.db2.gz TXKUHSXVFIHYPM-UHFFFAOYSA-N 0 0 319.814 0.966 10 0 DCAERN O=C(N1CCO[C@@H](Cn2cccn2)C1)C(F)(F)C1(O)CCC1 ZINC000155181186 665258309 /nfs/dbraw/zinc/25/83/09/665258309.db2.gz NKDQUBYKYUADQG-LLVKDONJSA-N 0 0 315.320 0.661 10 0 DCAERN O=C(NN1CCOCC1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175162584 665314703 /nfs/dbraw/zinc/31/47/03/665314703.db2.gz ZXUZRDQMMZEWRL-OLZOCXBDSA-N 0 0 304.346 0.925 10 0 DCAERN Cc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1S(N)(=O)=O ZINC000073923082 666598337 /nfs/dbraw/zinc/59/83/37/666598337.db2.gz PTCISHJHCIVUME-QWRGUYRKSA-N 0 0 312.391 0.892 10 0 DCAERN COC(OC)[C@H](C)NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000701239182 666820071 /nfs/dbraw/zinc/82/00/71/666820071.db2.gz DMXNWZRHAFLCMF-IGJMFERPSA-N 0 0 302.396 0.564 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)N1CCc2ccccc2C1 ZINC000733900453 666824895 /nfs/dbraw/zinc/82/48/95/666824895.db2.gz YPNGFPDKAXRGII-IBGZPJMESA-N 0 0 316.448 0.648 10 0 DCAERN CC[S@@](=O)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000733964117 666832621 /nfs/dbraw/zinc/83/26/21/666832621.db2.gz XHANXUKSYCNEHH-JOCHJYFZSA-N 0 0 323.374 0.388 10 0 DCAERN CC[S@](=O)CCNC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000733962773 666832656 /nfs/dbraw/zinc/83/26/56/666832656.db2.gz NLUVCFCHBDGYID-SAHAZLINSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@@](=O)CCNC(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000733963126 666832671 /nfs/dbraw/zinc/83/26/71/666832671.db2.gz QLVJNRXQRXOTDP-JOCHJYFZSA-N 0 0 322.386 0.476 10 0 DCAERN CCNC(=O)NC1(C(=O)NCC[S@](=O)CC)CCCC1 ZINC000733964127 666832843 /nfs/dbraw/zinc/83/28/43/666832843.db2.gz XKSQFVUCQCUJPV-HXUWFJFHSA-N 0 0 303.428 0.503 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000733964808 666832962 /nfs/dbraw/zinc/83/29/62/666832962.db2.gz BINUDZFQEFFMCF-JLCFBVMHSA-N 0 0 322.430 0.920 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000733965672 666833179 /nfs/dbraw/zinc/83/31/79/666833179.db2.gz HGABXQVNEIAALT-QFIPXVFZSA-N 0 0 321.406 0.533 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(C)n(C)c1=O ZINC000362914906 666852837 /nfs/dbraw/zinc/85/28/37/666852837.db2.gz WRVASSDVIDKTJS-LBPRGKRZSA-N 0 0 309.391 0.231 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000735108251 666947183 /nfs/dbraw/zinc/94/71/83/666947183.db2.gz PMTYCTYKBQDNOO-XMHCIUCPSA-N 0 0 323.418 0.860 10 0 DCAERN CCOC(=O)N[C@@H]1CCCN(C(=O)NCC[S@](=O)CC)C1 ZINC000735109632 666948899 /nfs/dbraw/zinc/94/88/99/666948899.db2.gz DEHFUAFJVLRDLT-WSVYEEACSA-N 0 0 319.427 0.675 10 0 DCAERN CN(Cc1cnccn1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000735480529 666994823 /nfs/dbraw/zinc/99/48/23/666994823.db2.gz KQFANBDUJMMSJE-UHFFFAOYSA-N 0 0 313.361 0.980 10 0 DCAERN COCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815987 666998871 /nfs/dbraw/zinc/99/88/71/666998871.db2.gz VIHUJQDVMVJZEQ-MNOVXSKESA-N 0 0 302.371 0.367 10 0 DCAERN Cn1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702816095 666999170 /nfs/dbraw/zinc/99/91/70/666999170.db2.gz BONQYTJBPMGJTE-PWSUYJOCSA-N 0 0 324.381 0.378 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2cccc(Br)n2)C1 ZINC000703160768 667063502 /nfs/dbraw/zinc/06/35/02/667063502.db2.gz RFQSZRVLGIMMEH-QMMMGPOBSA-N 0 0 320.212 0.972 10 0 DCAERN COCc1nn(CN2CCC[C@@H](n3cc(C)cn3)C2)c(=O)o1 ZINC000119737937 667200247 /nfs/dbraw/zinc/20/02/47/667200247.db2.gz IJTRDRYFMOAWHL-GFCCVEGCSA-N 0 0 307.354 0.782 10 0 DCAERN Cc1nnc(CN2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)o1 ZINC000864329191 667241370 /nfs/dbraw/zinc/24/13/70/667241370.db2.gz TVWYTEUFRIWMJN-JTQLQIEISA-N 0 0 304.354 0.929 10 0 DCAERN CCOCc1nc(Cl)cc(N2C[C@@H](CO)[C@H](CO)C2)n1 ZINC000704811865 667260268 /nfs/dbraw/zinc/26/02/68/667260268.db2.gz UJXINZMZYCHFQU-UWVGGRQHSA-N 0 0 301.774 0.704 10 0 DCAERN Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)[nH]n1 ZINC000864842939 667289085 /nfs/dbraw/zinc/28/90/85/667289085.db2.gz ULGXIGANCHYNNG-JTQLQIEISA-N 0 0 316.365 0.909 10 0 DCAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1C(=O)NC ZINC000120363923 667303544 /nfs/dbraw/zinc/30/35/44/667303544.db2.gz BTGPBDLJIHGNBO-AWEZNQCLSA-N 0 0 313.357 0.850 10 0 DCAERN CCc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](CO)C2)s1 ZINC000705391768 667307586 /nfs/dbraw/zinc/30/75/86/667307586.db2.gz UUYCGBLSMDBWSW-AOOOYVTPSA-N 0 0 305.421 0.532 10 0 DCAERN C[C@H](CS(C)(=O)=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000705620074 667351805 /nfs/dbraw/zinc/35/18/05/667351805.db2.gz HDJPKCDOTQNVPZ-ZJUUUORDSA-N 0 0 308.400 0.560 10 0 DCAERN Cc1ccc(C(=O)N2CCC(S(N)(=O)=O)CC2)c(Cl)n1 ZINC000707400134 667438214 /nfs/dbraw/zinc/43/82/14/667438214.db2.gz UNGVUFYUXTXEJD-UHFFFAOYSA-N 0 0 317.798 0.937 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCc1ccns1 ZINC000709835212 667445770 /nfs/dbraw/zinc/44/57/70/667445770.db2.gz GLBMSSALLDWEQT-UHFFFAOYSA-N 0 0 307.397 0.015 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCNC(=O)CC2(C)C)C1 ZINC000708150795 667442062 /nfs/dbraw/zinc/44/20/62/667442062.db2.gz ZPONCNATABEKOA-LLVKDONJSA-N 0 0 303.428 0.564 10 0 DCAERN O=C1c2ccccc2C(=O)N1CC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709791332 667445692 /nfs/dbraw/zinc/44/56/92/667445692.db2.gz IMJICHRGTJYOTI-SWLSCSKDSA-N 0 0 318.373 0.348 10 0 DCAERN C[C@H](O)c1ccn(CC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000133789928 667479987 /nfs/dbraw/zinc/47/99/87/667479987.db2.gz UBHFXMLXFYYPNW-JTQLQIEISA-N 0 0 303.318 0.982 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC000135875845 667668761 /nfs/dbraw/zinc/66/87/61/667668761.db2.gz DEJGEXCBCDRXNO-LBPRGKRZSA-N 0 0 317.345 0.859 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1Cn1c2ccccc2n(C)c1=O ZINC000739861466 667721878 /nfs/dbraw/zinc/72/18/78/667721878.db2.gz OGRFJYZAEBMLHD-LLVKDONJSA-N 0 0 309.391 0.416 10 0 DCAERN Cn1nccc1[C@H]1[C@H](CNC(=O)Cc2ccc[nH]2)OCCN1C ZINC000886055413 667727477 /nfs/dbraw/zinc/72/74/77/667727477.db2.gz GEUBHDMODDHEBQ-HOCLYGCPSA-N 0 0 317.393 0.479 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2cc(C)on2)C1=O ZINC000886074748 667728992 /nfs/dbraw/zinc/72/89/92/667728992.db2.gz SVJUMPPYQOJCNX-ZDUSSCGKSA-N 0 0 309.366 0.969 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N(C)CC(C)(C)CO)C1=O ZINC000886078397 667729586 /nfs/dbraw/zinc/72/95/86/667729586.db2.gz XXRQLLAOOJTAGQ-LBPRGKRZSA-N 0 0 300.399 0.491 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2NCc2nonc2C)cn1 ZINC000886082344 667730213 /nfs/dbraw/zinc/73/02/13/667730213.db2.gz ZFLLTLWXJLVZSZ-GXTWGEPZSA-N 0 0 307.354 0.841 10 0 DCAERN C[C@H](Oc1ccccn1)C(=O)N1CC(c2cc(CO)on2)C1 ZINC000886085696 667730580 /nfs/dbraw/zinc/73/05/80/667730580.db2.gz KSDFUBXIRUTKPI-JTQLQIEISA-N 0 0 303.318 0.955 10 0 DCAERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2c(Cl)cnn2C)C1 ZINC000886088781 667731088 /nfs/dbraw/zinc/73/10/88/667731088.db2.gz MMGRXDKPQFIZAF-AWEZNQCLSA-N 0 0 324.816 0.772 10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(C(=O)CCc2ccco2)C1 ZINC000886095335 667731512 /nfs/dbraw/zinc/73/15/12/667731512.db2.gz SEMVSLIENPEKRV-MRXNPFEDSA-N 0 0 318.377 0.937 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)Cc1cccc(Br)c1 ZINC000717379798 667735829 /nfs/dbraw/zinc/73/58/29/667735829.db2.gz OCKIRBLQURAXER-LDYMZIIASA-N 0 0 302.168 0.850 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000717384274 667743707 /nfs/dbraw/zinc/74/37/07/667743707.db2.gz IJWQGGOQCWPKON-GMSGAONNSA-N 0 0 301.726 0.583 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000741077649 667758011 /nfs/dbraw/zinc/75/80/11/667758011.db2.gz SMNOEPAZPGVMJK-NRFANRHFSA-N 0 0 313.379 0.441 10 0 DCAERN CC[S@](=O)CCNC(=O)NCc1ccc(O)c(OC)c1 ZINC000741077172 667758040 /nfs/dbraw/zinc/75/80/40/667758040.db2.gz NMDLCUHQHOFIJV-FQEVSTJZSA-N 0 0 300.380 0.969 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](C)CN1CCOCC1 ZINC000741090147 667758721 /nfs/dbraw/zinc/75/87/21/667758721.db2.gz PGTVNHGKLTXJGN-MPBGBICISA-N 0 0 305.444 0.023 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000741416936 667770409 /nfs/dbraw/zinc/77/04/09/667770409.db2.gz JDMHWBBLXUWPOJ-ODXCJYRJSA-N 0 0 302.371 0.927 10 0 DCAERN Cc1nn(C)c(C)c1OC(=O)Cn1nnc2ccccc2c1=O ZINC000741959744 667778306 /nfs/dbraw/zinc/77/83/06/667778306.db2.gz PAVMYUSKNWFXEC-UHFFFAOYSA-N 0 0 313.317 0.747 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)NCCOC2CCC2)cn1C ZINC000742336528 667789989 /nfs/dbraw/zinc/78/99/89/667789989.db2.gz NHANFFRXRQATQN-UHFFFAOYSA-N 0 0 315.395 0.232 10 0 DCAERN COC(=O)Cn1ccc(NC(=O)N(C)Cc2cnccn2)n1 ZINC000743165939 667803846 /nfs/dbraw/zinc/80/38/46/667803846.db2.gz XXVGPEFQEIEYSP-UHFFFAOYSA-N 0 0 304.310 0.510 10 0 DCAERN CC1(C)CO[C@H](CNC(=O)c2csc(S(N)(=O)=O)c2)C1 ZINC000717540853 667869162 /nfs/dbraw/zinc/86/91/62/667869162.db2.gz CQGNYWFSPTZNAM-VIFPVBQESA-N 0 0 318.420 0.940 10 0 DCAERN CN(Cc1ccsc1)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000124939097 668168799 /nfs/dbraw/zinc/16/87/99/668168799.db2.gz KHVMUSDTMYVRRE-NSHDSACASA-N 0 0 302.421 0.483 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnsn1 ZINC000126078849 668478249 /nfs/dbraw/zinc/47/82/49/668478249.db2.gz PNWYJPATNQCSDO-UHFFFAOYSA-N 0 0 324.387 0.649 10 0 DCAERN C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126446443 668596736 /nfs/dbraw/zinc/59/67/36/668596736.db2.gz CSFUVSRACOHNQE-YPMHNXCESA-N 0 0 308.403 0.741 10 0 DCAERN COc1cc(C)ccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126563564 668626967 /nfs/dbraw/zinc/62/69/67/668626967.db2.gz LJIBWNRJKXJWFC-LLVKDONJSA-N 0 0 312.391 0.719 10 0 DCAERN CCN(Cc1ccncc1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126603570 668632850 /nfs/dbraw/zinc/63/28/50/668632850.db2.gz QMDFTERWQXUKJR-CYBMUJFWSA-N 0 0 311.407 0.207 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1nc2c(s1)CCC2 ZINC000126696383 668645426 /nfs/dbraw/zinc/64/54/26/668645426.db2.gz NLRMCJSUHXODTP-MRVPVSSYSA-N 0 0 315.420 0.347 10 0 DCAERN Cc1c(F)cccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126705659 668646388 /nfs/dbraw/zinc/64/63/88/668646388.db2.gz KWKMZSPVFYWKEP-SNVBAGLBSA-N 0 0 300.355 0.849 10 0 DCAERN CN(C(=O)C[C@@H]1CS(=O)(=O)CCN1)c1ccc(F)cc1 ZINC000126718585 668647431 /nfs/dbraw/zinc/64/74/31/668647431.db2.gz OSWHUMKRRNBTSO-LLVKDONJSA-N 0 0 300.355 0.565 10 0 DCAERN Cn1cc(Br)c(CNc2nccn3cnnc23)n1 ZINC000393324828 1157874003 /nfs/dbraw/zinc/87/40/03/1157874003.db2.gz WKVDDLBZQVEHPB-UHFFFAOYSA-N 0 0 308.143 0.654 10 0 DCAERN O=C(NCCS(=O)(=O)N1CCOCC1)Nc1ccccc1 ZINC000036111013 669258631 /nfs/dbraw/zinc/25/86/31/669258631.db2.gz NRMUTXCDVKLGGU-UHFFFAOYSA-N 0 0 313.379 0.470 10 0 DCAERN C[C@H](O)c1ccn(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000128703065 669277910 /nfs/dbraw/zinc/27/79/10/669277910.db2.gz JIZWRVPDSOTORQ-RYUDHWBXSA-N 0 0 308.382 0.454 10 0 DCAERN CC[C@@H]1CN(Cn2nc(COC)oc2=O)CCN1CC(F)F ZINC000129307707 669406466 /nfs/dbraw/zinc/40/64/66/669406466.db2.gz XMMGOQRLIOQFQZ-SNVBAGLBSA-N 0 0 320.340 0.602 10 0 DCAERN CCn1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000933147918 669466865 /nfs/dbraw/zinc/46/68/65/669466865.db2.gz XSLUSLZGKHPYGC-LBPRGKRZSA-N 0 0 315.381 0.829 10 0 DCAERN CCCCC[C@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)OC ZINC000132260080 669711861 /nfs/dbraw/zinc/71/18/61/669711861.db2.gz RXJGFALHYCGSPQ-NSHDSACASA-N 0 0 309.366 0.976 10 0 DCAERN CNC(=O)c1ccc(CN(C)Cn2cc(C(=O)OC)nn2)cc1 ZINC000042081513 669826438 /nfs/dbraw/zinc/82/64/38/669826438.db2.gz FQKNNMAOIINKNW-UHFFFAOYSA-N 0 0 317.349 0.514 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)cn1 ZINC000190809014 669929567 /nfs/dbraw/zinc/92/95/67/669929567.db2.gz QFTQAETUAZITLS-UKRRQHHQSA-N 0 0 322.409 0.524 10 0 DCAERN O=C(CCn1cncn1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000158972960 669931967 /nfs/dbraw/zinc/93/19/67/669931967.db2.gz BFGOIGMRHDDLJG-OLZOCXBDSA-N 0 0 320.349 0.612 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)Cc1ccc(C)cc1 ZINC000191022193 669964327 /nfs/dbraw/zinc/96/43/27/669964327.db2.gz YPBRHLHVVATOCB-GJZGRUSLSA-N 0 0 322.430 0.936 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1[nH]nc2c1CCCC2 ZINC000188355635 670003996 /nfs/dbraw/zinc/00/39/96/670003996.db2.gz BXGDGUFAGREODH-QWRGUYRKSA-N 0 0 304.394 0.943 10 0 DCAERN O=C1CC2(CN1CN1CC[C@@](O)(C(F)(F)F)C1)CCOCC2 ZINC000191429548 670023378 /nfs/dbraw/zinc/02/33/78/670023378.db2.gz IYMVZIHDZIVYKZ-ZDUSSCGKSA-N 0 0 322.327 0.972 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnc(Cl)cc2C)CC1=O ZINC000191508715 670046330 /nfs/dbraw/zinc/04/63/30/670046330.db2.gz AEQKPOGNKJPNLI-UHFFFAOYSA-N 0 0 310.741 0.630 10 0 DCAERN Cn1cc(CN[C@@H]2CCS(=O)(=O)C2)c(Br)n1 ZINC000712446282 670148954 /nfs/dbraw/zinc/14/89/54/670148954.db2.gz DJIZQCMIWYAXJT-MRVPVSSYSA-N 0 0 308.201 0.459 10 0 DCAERN COC(=O)CCCCCNS(=O)(=O)c1ccc(C)nn1 ZINC000712698303 670150756 /nfs/dbraw/zinc/15/07/56/670150756.db2.gz CVGAQWZEJASUNK-UHFFFAOYSA-N 0 0 301.368 0.797 10 0 DCAERN CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(C)nn1 ZINC000712698629 670150846 /nfs/dbraw/zinc/15/08/46/670150846.db2.gz FEBDRHIKOXWMMJ-UHFFFAOYSA-N 0 0 301.368 0.747 10 0 DCAERN CO[C@H](C(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000713191259 670153879 /nfs/dbraw/zinc/15/38/79/670153879.db2.gz QZHFILOKLOGQPM-KGLIPLIRSA-N 0 0 306.362 0.867 10 0 DCAERN CCN1CN(C(=O)NCCN2CCc3sccc3C2)CC1=O ZINC000189775081 670157989 /nfs/dbraw/zinc/15/79/89/670157989.db2.gz WNIHNYADEYDODW-UHFFFAOYSA-N 0 0 322.434 0.937 10 0 DCAERN CCC(C)(C)NC(=O)CSc1nnc(CCOC)n1N ZINC000079106926 670166664 /nfs/dbraw/zinc/16/66/64/670166664.db2.gz XNPSNGSDSVOPGP-UHFFFAOYSA-N 0 0 301.416 0.578 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000713991784 670173282 /nfs/dbraw/zinc/17/32/82/670173282.db2.gz YUDMCTDJICHKPO-UHFFFAOYSA-N 0 0 308.281 0.655 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713999311 670173394 /nfs/dbraw/zinc/17/33/94/670173394.db2.gz FVHTUNJHAZCLLO-LLVKDONJSA-N 0 0 312.391 0.529 10 0 DCAERN Cn1cc(CN2CCC[C@](O)(CO)C2)c(Br)n1 ZINC000714080965 670177545 /nfs/dbraw/zinc/17/75/45/670177545.db2.gz GHQPWBZTVTVNOR-LLVKDONJSA-N 0 0 304.188 0.502 10 0 DCAERN Cn1cc(CN2CC[C@H](O)[C@H](CO)C2)c(Br)n1 ZINC000714082313 670177786 /nfs/dbraw/zinc/17/77/86/670177786.db2.gz NZWMEKASSGZKKA-UWVGGRQHSA-N 0 0 304.188 0.358 10 0 DCAERN CCOC(=O)c1ncc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)s1 ZINC000714251282 670182737 /nfs/dbraw/zinc/18/27/37/670182737.db2.gz ZACINQXBHAXCOF-CZMCAQCFSA-N 0 0 318.420 0.985 10 0 DCAERN COC(=O)C1(O)CN(c2ncnc(F)c2Br)C1 ZINC000714412873 670185866 /nfs/dbraw/zinc/18/58/66/670185866.db2.gz XVANOJWWFWLXIZ-UHFFFAOYSA-N 0 0 306.091 0.102 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000714473624 670189370 /nfs/dbraw/zinc/18/93/70/670189370.db2.gz STXWNDZIWKSZGA-UHFFFAOYSA-N 0 0 323.729 0.388 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000714492710 670190066 /nfs/dbraw/zinc/19/00/66/670190066.db2.gz FUMXZFKPWDLAEA-UHFFFAOYSA-N 0 0 303.311 0.043 10 0 DCAERN CS(=O)(=O)C1CC(NCC(=O)Nc2cccc(F)c2)C1 ZINC000715193042 670206161 /nfs/dbraw/zinc/20/61/61/670206161.db2.gz CQKAWBDFDVTTSU-UHFFFAOYSA-N 0 0 300.355 0.929 10 0 DCAERN Cn1nnc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000194434855 670432474 /nfs/dbraw/zinc/43/24/74/670432474.db2.gz ZVUKPRGQWBYXQL-CQSZACIVSA-N 0 0 302.382 0.061 10 0 DCAERN COc1ccccc1[C@H](O)CNC(=O)CN1CCCCC1=O ZINC000194589111 670442653 /nfs/dbraw/zinc/44/26/53/670442653.db2.gz WXDVSMKVYRDMSJ-CYBMUJFWSA-N 0 0 306.362 0.857 10 0 DCAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)[C@@H]1CNC(=O)C1 ZINC000194822056 670457686 /nfs/dbraw/zinc/45/76/86/670457686.db2.gz CXXJKUARNISDOE-ZDUSSCGKSA-N 0 0 315.373 0.956 10 0 DCAERN CN1C[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1=O ZINC000082358227 670476691 /nfs/dbraw/zinc/47/66/91/670476691.db2.gz MHOSQJVQTAQKEF-DTWKUNHWSA-N 0 0 321.299 0.134 10 0 DCAERN Cc1cnn(C[C@H]2CN(Cn3ncn(C)c3=S)CCO2)c1 ZINC000112071821 670538835 /nfs/dbraw/zinc/53/88/35/670538835.db2.gz QCHQAEKNLZBNMD-GFCCVEGCSA-N 0 0 308.411 0.815 10 0 DCAERN COC[C@]1(C)NC(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000113244782 670699011 /nfs/dbraw/zinc/69/90/11/670699011.db2.gz WYGFWNSFNZFNNP-DOMZBBRYSA-N 0 0 321.381 0.471 10 0 DCAERN CCn1nc(NC(=O)[C@H]2Cn3c(C)nnc3CN2)cc1C1CC1 ZINC000818121746 670975226 /nfs/dbraw/zinc/97/52/26/670975226.db2.gz HBSHDSLTFGYJDG-LLVKDONJSA-N 0 0 315.381 0.791 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCC[S@@](C)=O ZINC000116901780 671137820 /nfs/dbraw/zinc/13/78/20/671137820.db2.gz YINOGQYGXLKKBX-KRWDZBQOSA-N 0 0 313.832 0.429 10 0 DCAERN CCOCCN1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000111164671 671221285 /nfs/dbraw/zinc/22/12/85/671221285.db2.gz UCADVEVABAPGGA-HUUCEWRRSA-N 0 0 321.421 0.549 10 0 DCAERN C[C@@H]1CCO[C@@H]1C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 ZINC000829020538 671565970 /nfs/dbraw/zinc/56/59/70/671565970.db2.gz SBZGTRKZUNREPW-AKWBHNSASA-N 0 0 304.346 0.758 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(CN2CC(=O)N(C(C)C)C2=O)C1 ZINC000102393023 671821787 /nfs/dbraw/zinc/82/17/87/671821787.db2.gz GHBKSMKJGLKFHK-CYBMUJFWSA-N 0 0 324.425 0.997 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)Cc2cnn(C)c2)C1 ZINC000121527706 672066232 /nfs/dbraw/zinc/06/62/32/672066232.db2.gz VJQVNYIYWPHBIZ-ZDUSSCGKSA-N 0 0 309.366 0.533 10 0 DCAERN CC1(C)[C@H](O)CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000388935532 685256491 /nfs/dbraw/zinc/25/64/91/685256491.db2.gz MKBVBANHSRGCSM-NXEZZACHSA-N 0 0 307.437 0.279 10 0 DCAERN C[C@@H]1[C@H](NCc2nc(Br)c[nH]2)CCS1(=O)=O ZINC000390783196 685260276 /nfs/dbraw/zinc/26/02/76/685260276.db2.gz LSMKRFQPASAQAK-RNFRBKRXSA-N 0 0 308.201 0.837 10 0 DCAERN CCNS(=O)(=O)CCNCc1nc(Br)c[nH]1 ZINC000390664603 685260298 /nfs/dbraw/zinc/26/02/98/685260298.db2.gz RCTXOTOIOXVVPA-UHFFFAOYSA-N 0 0 311.205 0.201 10 0 DCAERN C[C@H](CNC(=O)c1ccnc(Br)c1)S(N)(=O)=O ZINC000398311472 685274808 /nfs/dbraw/zinc/27/48/08/685274808.db2.gz ZIMIPYHNCNMZAN-ZCFIWIBFSA-N 0 0 322.184 0.251 10 0 DCAERN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)S(N)(=O)=O ZINC000398394668 685274829 /nfs/dbraw/zinc/27/48/29/685274829.db2.gz YHKKQKSDNSXRMY-ZCFIWIBFSA-N 0 0 321.742 0.655 10 0 DCAERN CO[C@]1(CNC(=O)c2ccnc(F)c2)CCS(=O)(=O)C1 ZINC000720848250 685316472 /nfs/dbraw/zinc/31/64/72/685316472.db2.gz SVIXXVXKYQIAIL-LBPRGKRZSA-N 0 0 302.327 0.154 10 0 DCAERN CO[C@]1(C(=O)NCc2cn(C)nc2Br)CCOC1 ZINC000720059365 685311876 /nfs/dbraw/zinc/31/18/76/685311876.db2.gz BOXPTWPIDFMVAM-LLVKDONJSA-N 0 0 318.171 0.604 10 0 DCAERN CO[C@@]1(CNCc2c(Cl)c(C)nn2C)CCS(=O)(=O)C1 ZINC000720935071 685316945 /nfs/dbraw/zinc/31/69/45/685316945.db2.gz QNGNJIOKCFLENE-GFCCVEGCSA-N 0 0 321.830 0.675 10 0 DCAERN CO[C@]1(CNC(=O)NC2CCCCC2)CCS(=O)(=O)C1 ZINC000720914274 685317320 /nfs/dbraw/zinc/31/73/20/685317320.db2.gz KCCWXGLMBQIFPL-ZDUSSCGKSA-N 0 0 304.412 0.822 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCN(C3CC3)CC2)c1Cl ZINC000038109437 685057383 /nfs/dbraw/zinc/05/73/83/685057383.db2.gz IFAPGFRTHKMDLM-UHFFFAOYSA-N 0 0 304.803 0.542 10 0 DCAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000089333068 685093769 /nfs/dbraw/zinc/09/37/69/685093769.db2.gz YNCIEEJXAIVFRD-MNOVXSKESA-N 0 0 310.737 0.685 10 0 DCAERN COC(=O)[C@@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CCO1 ZINC000245848040 685159397 /nfs/dbraw/zinc/15/93/97/685159397.db2.gz KEWSSIGOKPUURL-OLZOCXBDSA-N 0 0 301.289 0.872 10 0 DCAERN CCOCCOCCN(C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249497809 685180909 /nfs/dbraw/zinc/18/09/09/685180909.db2.gz WKVHYCDVSOSZGU-ZIAGYGMSSA-N 0 0 310.394 0.880 10 0 DCAERN C[C@H]1CC(NC(=O)C[C@H]2CS(=O)(=O)CCN2)C[C@H](C)C1 ZINC000251673960 685185652 /nfs/dbraw/zinc/18/56/52/685185652.db2.gz AFKAWXREZAPPKH-WZRBSPASSA-N 0 0 302.440 0.704 10 0 DCAERN Nc1nc(NC[C@H](O)c2ccsc2)nc(C(F)(F)F)n1 ZINC000380110304 685236793 /nfs/dbraw/zinc/23/67/93/685236793.db2.gz IQFFOSITYRVYPB-LURJTMIESA-N 0 0 305.285 0.932 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ncccc1Br ZINC000385716321 685247076 /nfs/dbraw/zinc/24/70/76/685247076.db2.gz LYPVGSDBNKVXDI-KCJUWKMLSA-N 0 0 315.167 0.952 10 0 DCAERN C[C@H](CNC(=O)Cn1nnc2ccccc21)N1CCCCC1=O ZINC000194256567 1157678847 /nfs/dbraw/zinc/67/88/47/1157678847.db2.gz AWLZNDHOQLKGKR-GFCCVEGCSA-N 0 0 315.377 0.949 10 0 DCAERN C[C@H](C(=O)NCc1nn(C)cc1Br)n1cncn1 ZINC000393656715 1157822265 /nfs/dbraw/zinc/82/22/65/1157822265.db2.gz OPJUFTZTDPBOED-SSDOTTSWSA-N 0 0 313.159 0.652 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000228418068 1158945576 /nfs/dbraw/zinc/94/55/76/1158945576.db2.gz ZCYHSAHBHWOVLU-HTQZYQBOSA-N 0 0 302.318 0.760 10 0 DCAERN NS(=O)(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000228418049 1158945590 /nfs/dbraw/zinc/94/55/90/1158945590.db2.gz ZCYHSAHBHWOVLU-SFYZADRCSA-N 0 0 302.318 0.760 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000023098856 1171406402 /nfs/dbraw/zinc/40/64/02/1171406402.db2.gz ODHHZLAKQQGYDG-JTQLQIEISA-N 0 0 307.350 0.525 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NC1CCS(=O)(=O)CC1 ZINC000050016923 1171713781 /nfs/dbraw/zinc/71/37/81/1171713781.db2.gz WBCGRIDFUZISPZ-UHFFFAOYSA-N 0 0 304.318 0.854 10 0 DCAERN NC(=O)CN1CCCN(C(=O)c2cccc(Cl)c2N)CC1 ZINC000155903685 1180556435 /nfs/dbraw/zinc/55/64/35/1180556435.db2.gz BRMCFKYBMPCAIC-UHFFFAOYSA-N 0 0 310.785 0.555 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)N2CCN(CC(N)=O)CC2)cc1 ZINC000255441530 1183715094 /nfs/dbraw/zinc/71/50/94/1183715094.db2.gz WWQKGXVCSUJWKK-QBFSEMIESA-N 0 0 317.389 0.728 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)Cn2nnc3ccccc32)C1=O ZINC000172119414 1183804991 /nfs/dbraw/zinc/80/49/91/1183804991.db2.gz SHRJAHCGWJADSR-GFCCVEGCSA-N 0 0 301.350 0.557 10 0 DCAERN COc1cc[nH+]c(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)c1 ZINC000263411775 1185178446 /nfs/dbraw/zinc/17/84/46/1185178446.db2.gz MNJXSVUSCSCHLE-UHFFFAOYSA-N 0 0 315.333 0.905 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181352979 1185179446 /nfs/dbraw/zinc/17/94/46/1185179446.db2.gz ONPCEHLJRJIHQZ-UHFFFAOYSA-N 0 0 304.350 0.644 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186262144 1187362981 /nfs/dbraw/zinc/36/29/81/1187362981.db2.gz GFVQEEVUOMPEDW-UHFFFAOYSA-N 0 0 317.349 0.305 10 0 DCAERN C[C@@H]1CCN(C(=O)c2c(Br)nnn2C)C[C@H]1O ZINC000310186483 1190388677 /nfs/dbraw/zinc/38/86/77/1190388677.db2.gz XQKDWKLNRMVZAJ-RNFRBKRXSA-N 0 0 303.160 0.421 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)NCCCCS(N)(=O)=O ZINC000380481567 1190699024 /nfs/dbraw/zinc/69/90/24/1190699024.db2.gz UOIKWYMXZSWEQW-UHFFFAOYSA-N 0 0 307.322 0.346 10 0 DCAERN NC(=O)[C@H](O)CNC(=O)c1cc(Cl)ncc1Br ZINC000380067370 1190699118 /nfs/dbraw/zinc/69/91/18/1190699118.db2.gz PPYUPRLGPSNJLR-ZCFIWIBFSA-N 0 0 322.546 0.074 10 0 DCAERN NC(=O)NC[C@@H]1CCCCN1C(=O)/C=C\c1cncc(O)c1 ZINC000588409129 747249428 /nfs/dbraw/zinc/24/94/28/747249428.db2.gz RJQDVDSOFDBXBK-RXNFCKPNSA-N 0 0 304.350 0.850 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@H](CO)C1 ZINC000588560165 747443194 /nfs/dbraw/zinc/44/31/94/747443194.db2.gz JQUZALSFGNQGHZ-DYEKYZERSA-N 0 0 322.409 0.296 10 0 DCAERN C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000588563028 747444116 /nfs/dbraw/zinc/44/41/16/747444116.db2.gz CPGWWUIICHDXJD-PWWFUAJNSA-N 0 0 305.309 0.975 10 0 DCAERN CN1CC[C@@H](NC(=O)c2cc(Br)ccc2N)C1=O ZINC000230270141 768668900 /nfs/dbraw/zinc/66/89/00/768668900.db2.gz UTKJSTHZGHNEFV-SNVBAGLBSA-N 0 0 312.167 0.992 10 0 DCAERN NC(=O)c1cccc(CNC(=O)Cn2nnc3ccccc32)c1 ZINC000074518352 772024031 /nfs/dbraw/zinc/02/40/31/772024031.db2.gz ZPYJSHGMGRCOTF-UHFFFAOYSA-N 0 0 309.329 0.847 10 0 DCAERN C[C@@H](C(=O)NCCCOCc1ccccc1)N1CCNCC1=O ZINC000706586435 939180076 /nfs/dbraw/zinc/18/00/76/939180076.db2.gz OBDIYWGBWSXRBR-AWEZNQCLSA-N 0 0 319.405 0.530 10 0 DCAERN CCc1cc(C(=O)NCC2(S(N)(=O)=O)CC2)cc(Cl)n1 ZINC000713998818 941403072 /nfs/dbraw/zinc/40/30/72/941403072.db2.gz BPGSTTYVRRCEOS-UHFFFAOYSA-N 0 0 317.798 0.848 10 0 DCAERN O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000170342042 947818110 /nfs/dbraw/zinc/81/81/10/947818110.db2.gz ITELNZDZDAUTFX-NWDGAFQWSA-N 0 0 320.345 0.238 10 0 DCAERN C[N@H+](CCS(=O)(=O)CC(=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC000687487600 954617696 /nfs/dbraw/zinc/61/76/96/954617696.db2.gz MAJRKAWSNOESCQ-DGCLKSJQSA-N 0 0 305.396 0.377 10 0 DCAERN O=C([O-])CSCCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000688038188 976160926 /nfs/dbraw/zinc/16/09/26/976160926.db2.gz JCGFZKZUUWYZTD-UHFFFAOYSA-N 0 0 300.405 0.941 10 0 DCAERN O=C(NCCN1CCOCC1)c1cccc2c1OCC(=O)N2 ZINC000074733094 185014603 /nfs/dbraw/zinc/01/46/03/185014603.db2.gz VUFRLYNEOHSGHD-UHFFFAOYSA-N 0 0 305.334 0.080 10 0 DCAERN C[C@H](CNC(=O)Cn1c(=O)[nH]c2ccccc21)Cn1ccnc1 ZINC000081800806 192327406 /nfs/dbraw/zinc/32/74/06/192327406.db2.gz UDNPWGVDRIXRKB-GFCCVEGCSA-N 0 0 313.361 0.979 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N2CCCC2)nn1 ZINC000170689957 290616679 /nfs/dbraw/zinc/61/66/79/290616679.db2.gz GQEZPUIQLGXJOF-NWDGAFQWSA-N 0 0 317.393 0.803 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CC3)CC1)CC2 ZINC000105234983 282121450 /nfs/dbraw/zinc/12/14/50/282121450.db2.gz HVRBQWRDYJTLTD-GFCCVEGCSA-N 0 0 304.398 0.391 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2CCC(=O)N2CCCCC2)n1 ZINC000328638901 231273966 /nfs/dbraw/zinc/27/39/66/231273966.db2.gz WSNPDPVJWXUFAH-CHWSQXEVSA-N 0 0 308.382 0.888 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2csnn2)CC(=O)N1C ZINC000328645996 231281353 /nfs/dbraw/zinc/28/13/53/231281353.db2.gz ZXMQAEMHDGKWMR-BXUZGUMPSA-N 0 0 320.422 0.950 10 0 DCAERN CCc1cc(=O)n2nc(N3CCc4n[nH]cc4C3)sc2n1 ZINC000301115307 529508280 /nfs/dbraw/zinc/50/82/80/529508280.db2.gz UEBCIAIKSYFFBK-UHFFFAOYSA-N 0 0 302.363 0.999 10 0 DCAERN CCc1cc(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000178373218 529523407 /nfs/dbraw/zinc/52/34/07/529523407.db2.gz SZCTWHYAJAFRPB-UHFFFAOYSA-N 0 0 300.380 0.868 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000286603605 219077787 /nfs/dbraw/zinc/07/77/87/219077787.db2.gz UZAQWHIUQOYWKU-SNVBAGLBSA-N 0 0 304.325 0.798 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H]1CCCC[C@H]1O ZINC000170891493 295697096 /nfs/dbraw/zinc/69/70/96/295697096.db2.gz FSWRHZFJEXXDOD-CHWSQXEVSA-N 0 0 316.365 0.765 10 0 DCAERN Cc1nc2c(c(N3CC[C@@H](NS(C)(=O)=O)C3)n1)CCCC2 ZINC000272817527 210216715 /nfs/dbraw/zinc/21/67/15/210216715.db2.gz DNLKXCVOGKOMTC-LLVKDONJSA-N 0 0 310.423 0.792 10 0 DCAERN CCc1nc(CN2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)no1 ZINC000153381302 529736451 /nfs/dbraw/zinc/73/64/51/529736451.db2.gz NDUZRFWCVBZBOI-NWDGAFQWSA-N 0 0 308.382 0.844 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000181527660 199312256 /nfs/dbraw/zinc/31/22/56/199312256.db2.gz ZUGOCHHFVWKBHA-CQSZACIVSA-N 0 0 309.414 0.371 10 0 DCAERN CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246713393 529783422 /nfs/dbraw/zinc/78/34/22/529783422.db2.gz FVFCNXFSOBKZHE-OLZOCXBDSA-N 0 0 307.398 0.629 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N[C@H]1CCCn2ncnc21 ZINC000097013317 185396933 /nfs/dbraw/zinc/39/69/33/185396933.db2.gz XJZJTFFLMDJVRW-QWRGUYRKSA-N 0 0 300.384 0.602 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccccc1N(C)C)C(C)C ZINC000179083435 529918801 /nfs/dbraw/zinc/91/88/01/529918801.db2.gz ITUHTBJRXRCTKE-CYBMUJFWSA-N 0 0 320.393 0.578 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCC(=O)N1CCCCCC1 ZINC000157693048 529923497 /nfs/dbraw/zinc/92/34/97/529923497.db2.gz KLVKUVCWSJSFFS-CYBMUJFWSA-N 0 0 324.425 0.699 10 0 DCAERN O=C(NCc1ncccc1O)[C@H]1COCCN1CC(F)F ZINC000330773112 232057261 /nfs/dbraw/zinc/05/72/61/232057261.db2.gz QBQZWMPQAHAHTK-SNVBAGLBSA-N 0 0 301.293 0.369 10 0 DCAERN COCCOc1cc(C(=O)N[C@H]2CCCn3ncnc32)ccn1 ZINC000181710269 199342827 /nfs/dbraw/zinc/34/28/27/199342827.db2.gz NRAWUXIHLNBGLY-LBPRGKRZSA-N 0 0 317.349 0.963 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000181804841 199354002 /nfs/dbraw/zinc/35/40/02/199354002.db2.gz GSABXHGMUCIDTG-YPMHNXCESA-N 0 0 306.366 0.647 10 0 DCAERN C[C@@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccnc1 ZINC000132498389 295781675 /nfs/dbraw/zinc/78/16/75/295781675.db2.gz NCMMZXDFDPRIGX-DGCLKSJQSA-N 0 0 311.407 0.725 10 0 DCAERN CN1C[C@H](NC(=O)c2ccccc2Cn2cncn2)CCC1=O ZINC000080400228 192155492 /nfs/dbraw/zinc/15/54/92/192155492.db2.gz JTHQJSJHIZBYCY-CYBMUJFWSA-N 0 0 313.361 0.677 10 0 DCAERN CCOc1ccc(CNC(=O)CS(=O)(=O)NC)cc1F ZINC000083607790 192375876 /nfs/dbraw/zinc/37/58/76/192375876.db2.gz SBROQEDCLYMXEK-UHFFFAOYSA-N 0 0 304.343 0.390 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2cc(C)n(CC(=O)NC)n2)C1=O ZINC000561039291 288524316 /nfs/dbraw/zinc/52/43/16/288524316.db2.gz JLSXVDVNYNEBLO-UMCURTJPSA-N 0 0 305.338 0.329 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)[nH]1 ZINC000331373192 233217743 /nfs/dbraw/zinc/21/77/43/233217743.db2.gz FLPQZUIFCGELSR-HNNXBMFYSA-N 0 0 303.366 0.890 10 0 DCAERN Cc1nc(CNC(=O)NC[C@H](O)COc2cccc(C)c2)no1 ZINC000175692309 186189041 /nfs/dbraw/zinc/18/90/41/186189041.db2.gz NNEJBGULDGHQCZ-LBPRGKRZSA-N 0 0 320.349 0.926 10 0 DCAERN CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000177851368 186193388 /nfs/dbraw/zinc/19/33/88/186193388.db2.gz UGLQLYWOFWENCG-CHWSQXEVSA-N 0 0 307.398 0.906 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(F)ccc1Cl ZINC000179687126 186205740 /nfs/dbraw/zinc/20/57/40/186205740.db2.gz BSESEJLIQLOJDM-SECBINFHSA-N 0 0 322.745 0.354 10 0 DCAERN COCCNC(=O)CNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181920023 186218768 /nfs/dbraw/zinc/21/87/68/186218768.db2.gz NWLIYPROYBZMNR-UHFFFAOYSA-N 0 0 322.287 0.328 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc2c(c1)c(C)nn2C ZINC000172005032 198024446 /nfs/dbraw/zinc/02/44/46/198024446.db2.gz RHCITPMONZTGKW-LBPRGKRZSA-N 0 0 301.350 0.627 10 0 DCAERN CCN(C(=O)NCCNS(C)(=O)=O)[C@H](C)c1cccnc1 ZINC000172060777 198033489 /nfs/dbraw/zinc/03/34/89/198033489.db2.gz RIHLJBVTELPALI-LLVKDONJSA-N 0 0 314.411 0.723 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CC1 ZINC000348857642 290933892 /nfs/dbraw/zinc/93/38/92/290933892.db2.gz CLYJLBJKTKTXQL-YYJSSNLHSA-N 0 0 312.366 0.067 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CCn3nc(C)nc3C2)CC1 ZINC000408101961 290934781 /nfs/dbraw/zinc/93/47/81/290934781.db2.gz WZLFLFVUUKPSLZ-UHFFFAOYSA-N 0 0 306.366 0.908 10 0 DCAERN Cc1cnn(CCNC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1 ZINC000172352815 198084167 /nfs/dbraw/zinc/08/41/67/198084167.db2.gz KJWKOUJTBINXSD-RYUDHWBXSA-N 0 0 314.411 0.409 10 0 DCAERN C[C@H]1CSCCN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000172614656 198124474 /nfs/dbraw/zinc/12/44/74/198124474.db2.gz UXAVYPLGKRQJMH-VIFPVBQESA-N 0 0 300.405 0.912 10 0 DCAERN NC(=O)C1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 ZINC000072470611 191175954 /nfs/dbraw/zinc/17/59/54/191175954.db2.gz HGTYUODWVVDVSA-UHFFFAOYSA-N 0 0 319.413 0.141 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921981 198168263 /nfs/dbraw/zinc/16/82/63/198168263.db2.gz OJOXOIUGPUJZFJ-NSHDSACASA-N 0 0 321.406 0.448 10 0 DCAERN O=C(c1ccccc1)N1CCC(C(=O)N2CCNC(=O)C2)CC1 ZINC000172941064 198169940 /nfs/dbraw/zinc/16/99/40/198169940.db2.gz MYCSPVCAKCSXTP-UHFFFAOYSA-N 0 0 315.373 0.497 10 0 DCAERN CCN(C)S(=O)(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000072710591 191218415 /nfs/dbraw/zinc/21/84/15/191218415.db2.gz HYQGANTXXVPZPP-JTQLQIEISA-N 0 0 310.383 0.509 10 0 DCAERN CNC(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 ZINC000172919089 198167483 /nfs/dbraw/zinc/16/74/83/198167483.db2.gz OLRSAEJBPLYCHF-UHFFFAOYSA-N 0 0 303.362 0.789 10 0 DCAERN C[C@H](NC(=O)CCNC(N)=O)c1ccc(-n2cncn2)cc1 ZINC000072782334 191229256 /nfs/dbraw/zinc/22/92/56/191229256.db2.gz STOGLYHTOUOIDH-JTQLQIEISA-N 0 0 302.338 0.503 10 0 DCAERN C[C@H](Oc1cccc(F)c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084240 198183947 /nfs/dbraw/zinc/18/39/47/198183947.db2.gz VFDXFZOSPMUSQR-VIFPVBQESA-N 0 0 321.308 0.629 10 0 DCAERN COCCN1CCN(C(=O)NCc2c(C)nn(C)c2C)C[C@H]1C ZINC000173486713 198220485 /nfs/dbraw/zinc/22/04/85/198220485.db2.gz RQXFVJWSQGJBKA-GFCCVEGCSA-N 0 0 323.441 0.899 10 0 DCAERN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1=O ZINC000182058015 199380324 /nfs/dbraw/zinc/38/03/24/199380324.db2.gz OSAGAPHNMSLAPU-UHFFFAOYSA-N 0 0 323.296 0.563 10 0 DCAERN Cc1nc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)no1 ZINC000173547186 198225277 /nfs/dbraw/zinc/22/52/77/198225277.db2.gz PKHBCYLDTYBTPZ-GFCCVEGCSA-N 0 0 315.333 0.983 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCC(F)F)C2=O)n(C)n1 ZINC000173560672 198227387 /nfs/dbraw/zinc/22/73/87/198227387.db2.gz NQVPBJCTFVQHRM-VIFPVBQESA-N 0 0 315.324 0.788 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)NCC[C@@H](C)O)C2=O)n(C)n1 ZINC000173565948 198227668 /nfs/dbraw/zinc/22/76/68/198227668.db2.gz UXTIMMVNJJKOSO-NEPJUHHUSA-N 0 0 323.397 0.294 10 0 DCAERN COc1ccc([C@@H](O)CNC(=O)NCc2noc(C)n2)cc1 ZINC000173565071 198228310 /nfs/dbraw/zinc/22/83/10/198228310.db2.gz CSRYRAORUCMGTC-LBPRGKRZSA-N 0 0 306.322 0.919 10 0 DCAERN CCc1nc(C2(NCCC(=O)NCC(=O)OC)CCCC2)no1 ZINC000173693594 198241487 /nfs/dbraw/zinc/24/14/87/198241487.db2.gz NCJMSBQHJSDEMP-UHFFFAOYSA-N 0 0 324.381 0.670 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173837512 198258350 /nfs/dbraw/zinc/25/83/50/198258350.db2.gz YPKATDLIOMASIN-ABAIWWIYSA-N 0 0 306.410 0.748 10 0 DCAERN O=C([C@H](O)c1ccccc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000174792604 198386282 /nfs/dbraw/zinc/38/62/82/198386282.db2.gz IFMHEUKTKIQUGS-HUUCEWRRSA-N 0 0 301.346 0.844 10 0 DCAERN CN(c1nccn(C)c1=O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000174731238 198377460 /nfs/dbraw/zinc/37/74/60/198377460.db2.gz ZEBIVDULECJTLT-GFCCVEGCSA-N 0 0 300.366 0.676 10 0 DCAERN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H](C)CO ZINC000175221315 198446191 /nfs/dbraw/zinc/44/61/91/198446191.db2.gz FLNBCCIABLVACR-IJLUTSLNSA-N 0 0 323.397 0.232 10 0 DCAERN COc1cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)ncn1 ZINC000182209305 199403808 /nfs/dbraw/zinc/40/38/08/199403808.db2.gz ZUXZLQLDOUUCOG-SNVBAGLBSA-N 0 0 303.326 0.946 10 0 DCAERN Cn1cnn(CC(=O)N2CCO[C@@H](c3cccs3)C2)c1=O ZINC000182415173 199435514 /nfs/dbraw/zinc/43/55/14/199435514.db2.gz RRLBPQNBMORJRI-SNVBAGLBSA-N 0 0 308.363 0.243 10 0 DCAERN CCc1cnccc1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000182503137 199449927 /nfs/dbraw/zinc/44/99/27/199449927.db2.gz HGAGUTLYKQEPGH-UHFFFAOYSA-N 0 0 311.407 0.798 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000408077558 297274947 /nfs/dbraw/zinc/27/49/47/297274947.db2.gz ZBDQLHALQFRDRR-MNOVXSKESA-N 0 0 304.412 0.773 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[C@H](N2CCOCC2)C1 ZINC000153911865 295900823 /nfs/dbraw/zinc/90/08/23/295900823.db2.gz HNXKKZUGVZTJOX-KBPBESRZSA-N 0 0 319.409 0.383 10 0 DCAERN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)n1ccnc1 ZINC000073712126 191346225 /nfs/dbraw/zinc/34/62/25/191346225.db2.gz MUITZTZYHUBVQY-GFCCVEGCSA-N 0 0 322.390 0.939 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@]12CCOC2=O ZINC000187189308 295907436 /nfs/dbraw/zinc/90/74/36/295907436.db2.gz MAPSWNIEBOOSRR-HZMBPMFUSA-N 0 0 305.338 0.084 10 0 DCAERN COC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000080303378 192021943 /nfs/dbraw/zinc/02/19/43/192021943.db2.gz LVATUSQLTJGUNY-CMPLNLGQSA-N 0 0 303.322 0.135 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 ZINC000081579658 192296374 /nfs/dbraw/zinc/29/63/74/192296374.db2.gz ZAZODYBKXSMKBW-ZDUSSCGKSA-N 0 0 324.348 0.827 10 0 DCAERN Cc1nc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c(C)s1 ZINC000178912008 198952466 /nfs/dbraw/zinc/95/24/66/198952466.db2.gz PKQOTZGLLDYHBT-SNVBAGLBSA-N 0 0 317.436 0.914 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCc1cccc(C(N)=O)c1 ZINC000179270458 199008168 /nfs/dbraw/zinc/00/81/68/199008168.db2.gz BFPZTFBFAIFAAX-ZDUSSCGKSA-N 0 0 318.377 0.248 10 0 DCAERN COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000179424864 199032394 /nfs/dbraw/zinc/03/23/94/199032394.db2.gz RFOGCCQDMIINBJ-MFKMUULPSA-N 0 0 304.346 0.795 10 0 DCAERN CS[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000179479164 199042990 /nfs/dbraw/zinc/04/29/90/199042990.db2.gz RJFHHZPDAGCGFV-LSDHHAIUSA-N 0 0 324.446 0.900 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000179408456 199029873 /nfs/dbraw/zinc/02/98/73/199029873.db2.gz LPHASOIPWQHVGX-AWEZNQCLSA-N 0 0 305.378 0.314 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000179405760 199030374 /nfs/dbraw/zinc/03/03/74/199030374.db2.gz IMKZXJJSTWIRKO-CYBMUJFWSA-N 0 0 306.410 0.748 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)COc2ccccc2O)CC1 ZINC000179414414 199030526 /nfs/dbraw/zinc/03/05/26/199030526.db2.gz IZXWLYPDMZNLHE-CYBMUJFWSA-N 0 0 308.378 0.686 10 0 DCAERN COCCCOCC(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000180050114 199112257 /nfs/dbraw/zinc/11/22/57/199112257.db2.gz VCKMJJZOLLNFLI-UHFFFAOYSA-N 0 0 304.350 0.937 10 0 DCAERN O=C(Nc1cnn(-c2ccccc2)c1)C(=O)N1CCC[C@H]1CO ZINC000120963780 295963852 /nfs/dbraw/zinc/96/38/52/295963852.db2.gz RLKSOBYODLGFFQ-AWEZNQCLSA-N 0 0 314.345 0.794 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl ZINC000180210536 199130654 /nfs/dbraw/zinc/13/06/54/199130654.db2.gz UNZZFUQONGNCJI-SNVBAGLBSA-N 0 0 316.716 0.571 10 0 DCAERN CC[C@H](O)CCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180617228 199185194 /nfs/dbraw/zinc/18/51/94/199185194.db2.gz SMEJDMFXUHMMST-JTQLQIEISA-N 0 0 317.349 0.687 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccnc1 ZINC000180694009 199198671 /nfs/dbraw/zinc/19/86/71/199198671.db2.gz GDUIDKJJBJHSMO-FPMFFAJLSA-N 0 0 305.378 0.937 10 0 DCAERN CNC(=O)NCC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000185800628 283369289 /nfs/dbraw/zinc/36/92/89/283369289.db2.gz VHKRIPVQILBARE-ZDUSSCGKSA-N 0 0 322.340 0.063 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000275526145 535425570 /nfs/dbraw/zinc/42/55/70/535425570.db2.gz BVNIUYKEFBJTPU-HZSPNIEDSA-N 0 0 304.394 0.934 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)cn1C ZINC000180966752 199235077 /nfs/dbraw/zinc/23/50/77/199235077.db2.gz ONDFNDUJYJKJPL-SNVBAGLBSA-N 0 0 315.395 0.184 10 0 DCAERN O=C(NC[C@@H]1CCCO1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180975981 199236105 /nfs/dbraw/zinc/23/61/05/199236105.db2.gz FMZBOORDOAQCAG-JTQLQIEISA-N 0 0 315.333 0.705 10 0 DCAERN CC[C@@H]1C[C@H]1NC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000280798493 215875249 /nfs/dbraw/zinc/87/52/49/215875249.db2.gz PSYCUXHBEOQXFQ-FRRDWIJNSA-N 0 0 319.409 0.847 10 0 DCAERN C[S@@](=O)C1(CNS(=O)(=O)c2ccccc2N)CCC1 ZINC000280870297 215932573 /nfs/dbraw/zinc/93/25/73/215932573.db2.gz ZXYUUNSCLWWZDO-GOSISDBHSA-N 0 0 302.421 0.848 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000130883405 236972576 /nfs/dbraw/zinc/97/25/76/236972576.db2.gz KSJAESXQOAYXIF-PHIMTYICSA-N 0 0 317.345 0.326 10 0 DCAERN C[C@H]1CN(CC(=O)N(C)C2CCCCC2)CCS1(=O)=O ZINC000155485125 237040595 /nfs/dbraw/zinc/04/05/95/237040595.db2.gz YVPBXEVGVQJXID-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000155776687 237046040 /nfs/dbraw/zinc/04/60/40/237046040.db2.gz MVCFWEGSHQSWLQ-WDEREUQCSA-N 0 0 304.350 0.441 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCO[C@H](C)C1 ZINC000171267466 283442545 /nfs/dbraw/zinc/44/25/45/283442545.db2.gz AFTAFYBVBSNBOX-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnccn2)C[C@@H](C)O1 ZINC000172213063 237143508 /nfs/dbraw/zinc/14/35/08/237143508.db2.gz XCSVWTJVNJMUKY-GHMZBOCLSA-N 0 0 300.384 0.262 10 0 DCAERN Cc1noc(C)c1CNS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173065467 237152889 /nfs/dbraw/zinc/15/28/89/237152889.db2.gz FEDAOTLCVREPKO-IUCAKERBSA-N 0 0 303.384 0.735 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCS1 ZINC000171573888 237136314 /nfs/dbraw/zinc/13/63/14/237136314.db2.gz HCNPQCIGHWJWFS-VIFPVBQESA-N 0 0 307.379 0.094 10 0 DCAERN C[C@H]1CC[C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)O1 ZINC000177934175 237217604 /nfs/dbraw/zinc/21/76/04/237217604.db2.gz ZOKRCRRJACZPPB-GXTWGEPZSA-N 0 0 310.394 0.651 10 0 DCAERN O=C1NCC[C@H]1Sc1nc2ccccc2c(=O)n1CCCO ZINC000179003523 237245476 /nfs/dbraw/zinc/24/54/76/237245476.db2.gz MZXBLIKMDQIPRP-GFCCVEGCSA-N 0 0 319.386 0.760 10 0 DCAERN O=C(CNC(=O)c1ccc(F)c(F)c1)NCC1(CCO)CC1 ZINC000188008373 237365246 /nfs/dbraw/zinc/36/52/46/237365246.db2.gz XSIIRAQQSJHXAP-UHFFFAOYSA-N 0 0 312.316 0.973 10 0 DCAERN C[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CCN1CCO ZINC000187655397 200140771 /nfs/dbraw/zinc/14/07/71/200140771.db2.gz LTVLGESTDZFKMG-CQSZACIVSA-N 0 0 312.435 0.459 10 0 DCAERN COCCCOC1CN(C(=O)N[C@@H]2CCC[C@@H]2CCO)C1 ZINC000188463687 237374517 /nfs/dbraw/zinc/37/45/17/237374517.db2.gz ZHXKZEDBMZFVFY-TZMCWYRMSA-N 0 0 300.399 0.984 10 0 DCAERN C[C@H](NC(=O)CN1CCN(CCO)[C@@H](C)C1)c1cccs1 ZINC000187713358 200148863 /nfs/dbraw/zinc/14/88/63/200148863.db2.gz ZCPBVNMGFKBDED-STQMWFEESA-N 0 0 311.451 0.924 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)C[C@H](C)O1 ZINC000188925908 237383344 /nfs/dbraw/zinc/38/33/44/237383344.db2.gz VOJHCNARPZEPCH-YVECIDJPSA-N 0 0 306.428 0.481 10 0 DCAERN CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000188516518 200259819 /nfs/dbraw/zinc/25/98/19/200259819.db2.gz LHVOJJXKLPICTR-LBPRGKRZSA-N 0 0 320.397 0.921 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CCS1 ZINC000287720150 219692615 /nfs/dbraw/zinc/69/26/15/219692615.db2.gz JYKAYLJRKYCALS-WDEREUQCSA-N 0 0 323.422 0.583 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)c1nc2ccccc2s1 ZINC000154129136 291210954 /nfs/dbraw/zinc/21/09/54/291210954.db2.gz BIXHGJRJAOEOQB-NSHDSACASA-N 0 0 321.402 0.719 10 0 DCAERN Cc1nc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c(=O)[nH]c1C ZINC000154318696 291212674 /nfs/dbraw/zinc/21/26/74/291212674.db2.gz WLTPGCJQHQSSSG-GHMZBOCLSA-N 0 0 304.350 0.270 10 0 DCAERN CN(C)c1ncc(NC(=O)NCc2cccc(C(N)=O)c2)cn1 ZINC000154829188 291216270 /nfs/dbraw/zinc/21/62/70/291216270.db2.gz LBKPSWVTLMCSPN-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000158317210 291230957 /nfs/dbraw/zinc/23/09/57/291230957.db2.gz LVXBCCJLNKSZLB-STQMWFEESA-N 0 0 324.425 0.553 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000184324464 291234904 /nfs/dbraw/zinc/23/49/04/291234904.db2.gz FLDHQURJOXSAQU-DDTOSNHZSA-N 0 0 324.402 0.406 10 0 DCAERN O=C(O[C@@H]1C[C@@]2(O)CO[C@H]3O[C@H](O)C[C@@H]1[C@H]32)c1ccc(O)cc1 ZINC000006092732 181311967 /nfs/dbraw/zinc/31/19/67/181311967.db2.gz ZGEFAWWFLHUTII-ZNOBHYIQSA-N 0 0 322.313 0.380 10 0 biogenic DCAERN C[C@H]1CN(C(=O)NCC[C@H]2CCCCO2)CCS1(=O)=O ZINC000161865797 291242673 /nfs/dbraw/zinc/24/26/73/291242673.db2.gz RZMGYICJISWJJL-NWDGAFQWSA-N 0 0 304.412 0.774 10 0 DCAERN CCCNC(=O)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162133200 291243225 /nfs/dbraw/zinc/24/32/25/291243225.db2.gz VTLAFAULEBQIBY-LBPRGKRZSA-N 0 0 308.378 0.979 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000089896026 192899389 /nfs/dbraw/zinc/89/93/89/192899389.db2.gz QXNQCRJQHXVBGR-ZYHUDNBSSA-N 0 0 323.397 0.932 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NCc2cccc(F)c2)cn1 ZINC000163196065 291245911 /nfs/dbraw/zinc/24/59/11/291245911.db2.gz SGYNAAGFZYMUPY-UHFFFAOYSA-N 0 0 317.324 0.937 10 0 DCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408338280 291267967 /nfs/dbraw/zinc/26/79/67/291267967.db2.gz YTVOVZSZCBOSSH-OUAUKWLOSA-N 0 0 322.427 0.111 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000281514524 216354393 /nfs/dbraw/zinc/35/43/93/216354393.db2.gz HZWWXQZQJVRKOF-QMMMGPOBSA-N 0 0 316.404 0.707 10 0 DCAERN CO[C@@H]1COCC[C@H]1CC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000566458748 291303742 /nfs/dbraw/zinc/30/37/42/291303742.db2.gz ZHZDAJQHLRHJHJ-WCQYABFASA-N 0 0 324.381 0.589 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182711325 299341158 /nfs/dbraw/zinc/34/11/58/299341158.db2.gz HPVKCRYZOKKAAV-VIFPVBQESA-N 0 0 315.399 0.660 10 0 DCAERN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC23CCC3)cn1 ZINC000441546683 240526759 /nfs/dbraw/zinc/52/67/59/240526759.db2.gz OELNPMRYRSONAG-UHFFFAOYSA-N 0 0 319.365 0.065 10 0 DCAERN CN(CCCO)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000442996575 240552908 /nfs/dbraw/zinc/55/29/08/240552908.db2.gz WUEZSEIEUOZBQA-UHFFFAOYSA-N 0 0 305.334 0.193 10 0 DCAERN CCC[C@H](OC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000450785479 240647128 /nfs/dbraw/zinc/64/71/28/240647128.db2.gz NKUSFVBFXNMXDV-LBPRGKRZSA-N 0 0 300.399 0.897 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@H]1C(N)=O)C(=O)c1cccc(F)c1 ZINC000091778641 193106142 /nfs/dbraw/zinc/10/61/42/193106142.db2.gz IRLMQPYFDDRLFG-MFKMUULPSA-N 0 0 322.336 0.747 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000091781013 193106687 /nfs/dbraw/zinc/10/66/87/193106687.db2.gz SEPYMRWFQWOZBL-NSHDSACASA-N 0 0 314.288 0.543 10 0 DCAERN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091783567 193107445 /nfs/dbraw/zinc/10/74/45/193107445.db2.gz IWHRSGNHOPAPID-JOYOIKCWSA-N 0 0 312.753 0.820 10 0 DCAERN C[C@@H](CCc1ccccc1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457422553 241001122 /nfs/dbraw/zinc/00/11/22/241001122.db2.gz ZNDBRCNDGMJDQN-DZGCQCFKSA-N 0 0 317.393 0.960 10 0 DCAERN O=C(NCCOc1ccccc1)NC[C@H](O)Cn1ccnn1 ZINC000457442203 241006119 /nfs/dbraw/zinc/00/61/19/241006119.db2.gz ROUQYNUDLBRANL-LBPRGKRZSA-N 0 0 305.338 0.017 10 0 DCAERN O=C(NCCc1ccccc1F)NC[C@@H](O)Cn1ccnn1 ZINC000457487960 241008368 /nfs/dbraw/zinc/00/83/68/241008368.db2.gz ZKMCAPZPLWYBKW-GFCCVEGCSA-N 0 0 307.329 0.320 10 0 DCAERN Cc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000457879640 241046268 /nfs/dbraw/zinc/04/62/68/241046268.db2.gz YOJISXAJUMTRSM-CQSZACIVSA-N 0 0 303.366 0.755 10 0 DCAERN Cc1cccc(Cl)c1NC(=O)CN1CCOC[C@H]1C(N)=O ZINC000092229555 193177315 /nfs/dbraw/zinc/17/73/15/193177315.db2.gz UHCMQSVVTOWPKU-NSHDSACASA-N 0 0 311.769 0.773 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C[C@@H]1C ZINC000248968919 284036495 /nfs/dbraw/zinc/03/64/95/284036495.db2.gz ROTHITGGSZVPTD-TUAOUCFPSA-N 0 0 321.381 0.954 10 0 DCAERN CCN(C(=O)CN1CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000077382579 284150881 /nfs/dbraw/zinc/15/08/81/284150881.db2.gz MPTHKBOUDCKAAZ-LBPRGKRZSA-N 0 0 302.440 0.896 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(OC)n(C)n1 ZINC000276339980 284216805 /nfs/dbraw/zinc/21/68/05/284216805.db2.gz GCENGEIJJUCGQU-KWBADKCTSA-N 0 0 307.350 0.842 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CC(=O)N(C)[C@@H](C)C3)nc2n1 ZINC000282462057 217013339 /nfs/dbraw/zinc/01/33/39/217013339.db2.gz TZLRYPQWKWVTTF-JTQLQIEISA-N 0 0 302.338 0.044 10 0 DCAERN CCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000009342999 181616730 /nfs/dbraw/zinc/61/67/30/181616730.db2.gz LEEVAZWLXAHMQE-UHFFFAOYSA-N 0 0 300.380 0.890 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1ccc2c(c1)OCCCO2 ZINC000264953118 204297859 /nfs/dbraw/zinc/29/78/59/204297859.db2.gz UYGODFNKLKUETC-UHFFFAOYSA-N 0 0 319.317 0.016 10 0 DCAERN O=C(N[C@@]1(CO)CCOC1)c1ncsc1Br ZINC000288298813 220069964 /nfs/dbraw/zinc/06/99/64/220069964.db2.gz XVHWVKFZCXQPJS-SECBINFHSA-N 0 0 307.169 0.787 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@@]3(CCSC3)C2)C1 ZINC000572122931 291549618 /nfs/dbraw/zinc/54/96/18/291549618.db2.gz XFFCCLQJWYBUBZ-CABCVRRESA-N 0 0 312.435 0.979 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000266116247 205110123 /nfs/dbraw/zinc/11/01/23/205110123.db2.gz NUPKVIZKNBLMJL-FRRDWIJNSA-N 0 0 316.357 0.908 10 0 DCAERN Cn1cc([C@@H]2CN(C(=O)[C@@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282802018 217260360 /nfs/dbraw/zinc/26/03/60/217260360.db2.gz QPJXRGVOEJNPOT-WFASDCNBSA-N 0 0 306.366 0.236 10 0 DCAERN COc1ccccc1N1C(=O)S[C@H](CC(=O)NCCO)C1=O ZINC000016905653 182064251 /nfs/dbraw/zinc/06/42/51/182064251.db2.gz OTRHNJXFLXRDHL-LLVKDONJSA-N 0 0 324.358 0.762 10 0 DCAERN CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(O)c1 ZINC000019731591 182139505 /nfs/dbraw/zinc/13/95/05/182139505.db2.gz DIWFEVZVLLFHJX-VIFPVBQESA-N 0 0 305.377 0.200 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000020309562 182205117 /nfs/dbraw/zinc/20/51/17/182205117.db2.gz XHAYYOUSHZYHBE-VIFPVBQESA-N 0 0 313.379 0.736 10 0 DCAERN COC(=O)c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000021161025 182267638 /nfs/dbraw/zinc/26/76/38/182267638.db2.gz KSNPFZCXKVGLJM-GFCCVEGCSA-N 0 0 320.370 0.717 10 0 DCAERN O=C(c1ccc(F)cc1Cl)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856861 296215865 /nfs/dbraw/zinc/21/58/65/296215865.db2.gz QQAIDCFYYUQEPA-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3CCC[C@@H](O)C3)CC2)n1 ZINC000026188730 182432679 /nfs/dbraw/zinc/43/26/79/182432679.db2.gz SLLJBCSRDVLFQO-CYBMUJFWSA-N 0 0 320.393 0.685 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2COc3ccccc3O2)no1 ZINC000028541078 182528152 /nfs/dbraw/zinc/52/81/52/182528152.db2.gz FMVAERQWOMEIKL-SNVBAGLBSA-N 0 0 317.301 0.878 10 0 DCAERN O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](N2CCOCC2)C1 ZINC000172742575 296238226 /nfs/dbraw/zinc/23/82/26/296238226.db2.gz UBSUTTIRZJXFJW-CYBMUJFWSA-N 0 0 304.346 0.962 10 0 DCAERN CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1N ZINC000037929727 182938362 /nfs/dbraw/zinc/93/83/62/182938362.db2.gz BGLGZZOGZGLAJS-SSDOTTSWSA-N 0 0 305.787 0.725 10 0 DCAERN COCc1c(C(=O)NCCO)nnn1-c1ccc(OC)cc1 ZINC000040179795 183044716 /nfs/dbraw/zinc/04/47/16/183044716.db2.gz URSQLDIFVXHKQC-UHFFFAOYSA-N 0 0 306.322 0.144 10 0 DCAERN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1N ZINC000040328468 183054836 /nfs/dbraw/zinc/05/48/36/183054836.db2.gz PUTWEAUURJHBSP-SNVBAGLBSA-N 0 0 318.420 0.467 10 0 DCAERN COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000042483561 183276526 /nfs/dbraw/zinc/27/65/26/183276526.db2.gz CXCXTICUTRYHQC-QMMMGPOBSA-N 0 0 308.787 0.550 10 0 DCAERN CCn1cc(S(=O)(=O)N(C)Cc2cscn2)c(N)n1 ZINC000042859679 183314989 /nfs/dbraw/zinc/31/49/89/183314989.db2.gz PKIWELHLDYLAFO-UHFFFAOYSA-N 0 0 301.397 0.762 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCn3nncc3C2)c1 ZINC000574463053 291697221 /nfs/dbraw/zinc/69/72/21/291697221.db2.gz OWWHPANVBZHDCP-HNNXBMFYSA-N 0 0 316.361 0.736 10 0 DCAERN COCCS(=O)(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000104741498 194033557 /nfs/dbraw/zinc/03/35/57/194033557.db2.gz WBWFYLCJPZJIIV-GFCCVEGCSA-N 0 0 310.379 0.768 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000408317241 296286298 /nfs/dbraw/zinc/28/62/98/296286298.db2.gz GEEMMTGCRAVIPX-KZTGVZKYSA-N 0 0 312.410 0.713 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000371977565 291714464 /nfs/dbraw/zinc/71/44/64/291714464.db2.gz DRIUPPSGVMFYAK-YRGRVCCFSA-N 0 0 319.423 0.752 10 0 DCAERN COCCN(Cc1ccco1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105282003 194093072 /nfs/dbraw/zinc/09/30/72/194093072.db2.gz PSUBHBLTRQHNJI-CQSZACIVSA-N 0 0 311.382 0.768 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000105865973 194149687 /nfs/dbraw/zinc/14/96/87/194149687.db2.gz DLJLJSIFGDMTPP-UHFFFAOYSA-N 0 0 319.453 0.775 10 0 DCAERN C[C@H](C(N)=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000105865571 194150635 /nfs/dbraw/zinc/15/06/35/194150635.db2.gz UUVXVHSOVHZZKK-CQSZACIVSA-N 0 0 313.405 0.864 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(CCN3C(=O)CCC3=O)CCO2)n1 ZINC000105893711 194160226 /nfs/dbraw/zinc/16/02/26/194160226.db2.gz YJCITZHUJOFNPW-CQSZACIVSA-N 0 0 320.393 0.350 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329374648 296293870 /nfs/dbraw/zinc/29/38/70/296293870.db2.gz LDGBWQJDNYLHAN-ZIAGYGMSSA-N 0 0 302.334 0.749 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C ZINC000110064058 194306947 /nfs/dbraw/zinc/30/69/47/194306947.db2.gz OYAADJAWODFTCB-AWEZNQCLSA-N 0 0 323.418 0.578 10 0 DCAERN CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1F ZINC000110358977 194324650 /nfs/dbraw/zinc/32/46/50/194324650.db2.gz QTKBDLCMYICDEF-ZETCQYMHSA-N 0 0 315.326 0.272 10 0 DCAERN O=C([C@@H]1CCCN1c1nccs1)N1CCS(=O)(=O)CC1 ZINC000110695531 194350250 /nfs/dbraw/zinc/35/02/50/194350250.db2.gz UMVUASSSLAMWEP-JTQLQIEISA-N 0 0 315.420 0.369 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)n1 ZINC000110898788 194367898 /nfs/dbraw/zinc/36/78/98/194367898.db2.gz DWDTUZUVZOCZEX-UONOGXRCSA-N 0 0 320.393 0.206 10 0 DCAERN Cn1cc(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000110958223 194374960 /nfs/dbraw/zinc/37/49/60/194374960.db2.gz HQGQLULXTAIJHN-CQSZACIVSA-N 0 0 320.393 0.316 10 0 DCAERN COC[C@](C)(NC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F ZINC000362198420 262008429 /nfs/dbraw/zinc/00/84/29/262008429.db2.gz AOPDXEAVKABRCP-CBAPKCEASA-N 0 0 303.302 0.505 10 0 DCAERN CCOCCS(=O)(=O)NCc1ccc(C(N)=S)cc1 ZINC000063154037 184274412 /nfs/dbraw/zinc/27/44/12/184274412.db2.gz GPDAMJHAVMEUOO-UHFFFAOYSA-N 0 0 302.421 0.777 10 0 DCAERN CC1(CNC(=O)CCNS(=O)(=O)c2ccccc2)COC1 ZINC000112694196 194503498 /nfs/dbraw/zinc/50/34/98/194503498.db2.gz ORBIELASFOQWQG-UHFFFAOYSA-N 0 0 312.391 0.508 10 0 DCAERN CC[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)N1CCOCC1 ZINC000084218034 252586411 /nfs/dbraw/zinc/58/64/11/252586411.db2.gz ORGXZASVJMSGPT-KGLIPLIRSA-N 0 0 322.409 0.815 10 0 DCAERN COCCN1CCN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1C ZINC000172262607 532970254 /nfs/dbraw/zinc/97/02/54/532970254.db2.gz LNPXPNIKWNVLDP-STQMWFEESA-N 0 0 306.428 0.148 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc(N(C)C)nc2)C1 ZINC000330771957 252646767 /nfs/dbraw/zinc/64/67/67/252646767.db2.gz CZPDBIIMPWSGAH-AWEZNQCLSA-N 0 0 319.409 0.760 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NC1(c2noc(C)n2)CCCC1 ZINC000333073596 252676985 /nfs/dbraw/zinc/67/69/85/252676985.db2.gz VIDUKLWHGLDHNY-NWDGAFQWSA-N 0 0 322.365 0.245 10 0 DCAERN COc1ncccc1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000333244429 252697005 /nfs/dbraw/zinc/69/70/05/252697005.db2.gz WXVOMPPTMQCZDK-UHFFFAOYSA-N 0 0 316.361 0.857 10 0 DCAERN CC(C)N1C[C@@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)CC1=O ZINC000333429225 252722221 /nfs/dbraw/zinc/72/22/21/252722221.db2.gz NGIMPHKECBUEMO-WOPDTQHZSA-N 0 0 304.412 0.483 10 0 DCAERN COC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000119612943 195002560 /nfs/dbraw/zinc/00/25/60/195002560.db2.gz KPGHHDLKVXCYKA-CYBMUJFWSA-N 0 0 311.426 0.424 10 0 DCAERN O=S(=O)(NCCN1CCC(O)CC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333112467 285040284 /nfs/dbraw/zinc/04/02/84/285040284.db2.gz FFRNXGMQTBOQLT-MBNYWOFBSA-N 0 0 302.440 0.551 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)C[C@H]1C ZINC000188477849 285043121 /nfs/dbraw/zinc/04/31/21/285043121.db2.gz RPZAIFWGTUBRGH-RBSFLKMASA-N 0 0 313.442 0.900 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)CC[C@@H]21 ZINC000286482311 219013787 /nfs/dbraw/zinc/01/37/87/219013787.db2.gz VWLKRCCTBICSMB-NEPJUHHUSA-N 0 0 315.333 0.908 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000345844418 253977614 /nfs/dbraw/zinc/97/76/14/253977614.db2.gz QUXZUGLUVHZDNP-NWDGAFQWSA-N 0 0 323.397 0.296 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1[C@H]1CCN(c2ccccc2)C1 ZINC000277143446 296392292 /nfs/dbraw/zinc/39/22/92/296392292.db2.gz AMHAXWJSPMIJBW-XJKSGUPXSA-N 0 0 301.346 0.976 10 0 DCAERN CCn1cc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)nc1C ZINC000347969453 254206907 /nfs/dbraw/zinc/20/69/07/254206907.db2.gz UDWQTTJLZASGPA-MRVPVSSYSA-N 0 0 315.317 0.803 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)c(F)c1 ZINC000348028490 254214956 /nfs/dbraw/zinc/21/49/56/254214956.db2.gz VQEDVSGGKLUYAT-ZETCQYMHSA-N 0 0 302.327 0.435 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1 ZINC000191610350 296395409 /nfs/dbraw/zinc/39/54/09/296395409.db2.gz DEYVGBIVXRDYRT-NEPJUHHUSA-N 0 0 324.468 0.472 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)C1CCCC1 ZINC000172069245 533134608 /nfs/dbraw/zinc/13/46/08/533134608.db2.gz PPLIVMHHBVMPBN-ZYHUDNBSSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)CCO1 ZINC000271420909 208900504 /nfs/dbraw/zinc/90/05/04/208900504.db2.gz ZJOZAVXHBWOWLM-MCIONIFRSA-N 0 0 308.382 0.861 10 0 DCAERN CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000350185136 254313336 /nfs/dbraw/zinc/31/33/36/254313336.db2.gz UUBFJWDCKLJLBX-NEPJUHHUSA-N 0 0 302.396 0.033 10 0 DCAERN CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)S(N)(=O)=O ZINC000350615072 254318929 /nfs/dbraw/zinc/31/89/29/254318929.db2.gz ARSWKZXWKWNLCC-VIFPVBQESA-N 0 0 302.400 0.433 10 0 DCAERN C[C@H](CNC(=O)Cc1c(F)cccc1Cl)S(N)(=O)=O ZINC000350630249 254321581 /nfs/dbraw/zinc/32/15/81/254321581.db2.gz YJQSFNVXGQJAAC-SSDOTTSWSA-N 0 0 308.762 0.815 10 0 DCAERN O=C1[C@@H]2COCCN2C(=O)N1[C@@H]1CCCN(c2ncccn2)C1 ZINC000272369284 296421270 /nfs/dbraw/zinc/42/12/70/296421270.db2.gz ZSVAEHHHXATQQQ-NEPJUHHUSA-N 0 0 317.349 0.108 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[C@H](C)O)cc1 ZINC000120743291 195228579 /nfs/dbraw/zinc/22/85/79/195228579.db2.gz FZWANTSFDBATLR-QWRGUYRKSA-N 0 0 314.407 0.732 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCN3S(C)(=O)=O)cc1 ZINC000248120473 257108252 /nfs/dbraw/zinc/10/82/52/257108252.db2.gz DTZYKNMGBRBMED-UONOGXRCSA-N 0 0 324.402 0.944 10 0 DCAERN CCS(=O)(=O)N1C[C@H]2OCCN(Cc3ccc(C)o3)[C@H]2C1 ZINC000248067581 257109315 /nfs/dbraw/zinc/10/93/15/257109315.db2.gz FLYUPMHMFRGPBA-UONOGXRCSA-N 0 0 314.407 0.823 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)c2cscn2)C3)n1 ZINC000248028733 257111236 /nfs/dbraw/zinc/11/12/36/257111236.db2.gz OQYLYYBOXDLIBZ-ZANVPECISA-N 0 0 306.347 0.875 10 0 DCAERN Cc1nnc([C@@H]2C[C@@H]3OCC[C@@H]3N(S(=O)(=O)C3CC3)C2)o1 ZINC000248021776 257111762 /nfs/dbraw/zinc/11/17/62/257111762.db2.gz MGRALGZIEYJEBM-USWWRNFRSA-N 0 0 313.379 0.817 10 0 DCAERN Cc1nnc([C@]23CCO[C@H]2CCN(C(=O)c2ccncn2)C3)o1 ZINC000248002367 257112007 /nfs/dbraw/zinc/11/20/07/257112007.db2.gz GAVPYOXJYHJNJA-WFASDCNBSA-N 0 0 315.333 0.741 10 0 DCAERN COc1cc(N2C[C@@H]3OC[C@@H](Cc4nc(C)no4)[C@@H]3C2)ncn1 ZINC000247935020 257114122 /nfs/dbraw/zinc/11/41/22/257114122.db2.gz DOIRGFNWNIUGHM-WOPDTQHZSA-N 0 0 317.349 0.871 10 0 DCAERN CC(=O)N1CC[C@@]2(C1)C[C@H](NC(=O)c1cnccn1)CCO2 ZINC000247942981 257114594 /nfs/dbraw/zinc/11/45/94/257114594.db2.gz NUWLGUHRKMHHFT-DOMZBBRYSA-N 0 0 304.350 0.376 10 0 DCAERN Cc1cc(CN2C[C@@H]3OC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)no1 ZINC000247918193 257114851 /nfs/dbraw/zinc/11/48/51/257114851.db2.gz NDGIVLWNQBEIFU-ZNMIVQPWSA-N 0 0 321.377 0.984 10 0 DCAERN COCCN1CCO[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]21 ZINC000247894830 257115375 /nfs/dbraw/zinc/11/53/75/257115375.db2.gz UPTMLDDKBWTJAK-UONOGXRCSA-N 0 0 310.419 0.849 10 0 DCAERN O=C([C@@H]1COC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21)N1CCCO1 ZINC000247751140 257117964 /nfs/dbraw/zinc/11/79/64/257117964.db2.gz AMJVFEOULOLWJI-WCFLWFBJSA-N 0 0 322.340 0.478 10 0 DCAERN O=C([C@@H]1COC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21)N1CCCO1 ZINC000247792390 257118532 /nfs/dbraw/zinc/11/85/32/257118532.db2.gz PEHUHOJMVQTNBU-HRCADAONSA-N 0 0 317.389 0.940 10 0 DCAERN CS(=O)(=O)N1CCO[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000247556063 257119470 /nfs/dbraw/zinc/11/94/70/257119470.db2.gz XJNHQWSZNYFKJN-KBPBESRZSA-N 0 0 311.407 0.174 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000188315280 533270726 /nfs/dbraw/zinc/27/07/26/533270726.db2.gz AWQRSKRZJOXDRF-CYBMUJFWSA-N 0 0 322.471 0.520 10 0 DCAERN C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN(CCO)[C@@H](C)C1 ZINC000187744744 533281619 /nfs/dbraw/zinc/28/16/19/533281619.db2.gz ICOBVFDDTSTOEG-KBPBESRZSA-N 0 0 323.412 0.829 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000187532634 533294637 /nfs/dbraw/zinc/29/46/37/533294637.db2.gz PPRVYQZOKBAJHH-AWEZNQCLSA-N 0 0 317.345 0.957 10 0 DCAERN COC[C@@H](O)CN(C)c1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000302672098 533362054 /nfs/dbraw/zinc/36/20/54/533362054.db2.gz KZDCORMOWKJKER-LURJTMIESA-N 0 0 305.260 0.815 10 0 DCAERN O=C(N1CCN(c2cncc3ncnn32)CC1)C1(O)CCCC1 ZINC000275607377 130349212 /nfs/dbraw/zinc/34/92/12/130349212.db2.gz IKILOAQFIPGYTO-UHFFFAOYSA-N 0 0 316.365 0.078 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275771020 130381350 /nfs/dbraw/zinc/38/13/50/130381350.db2.gz SFQMIVADBBSFSU-QJPTWQEYSA-N 0 0 321.381 0.628 10 0 DCAERN O=S(=O)(c1ccccc1N1CCO[C@H](CO)C1)C(F)F ZINC000094267259 296472366 /nfs/dbraw/zinc/47/23/66/296472366.db2.gz HNQJLOHRMCIKAN-VIFPVBQESA-N 0 0 307.318 0.880 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCn3ccnc3)C[C@@H]21 ZINC000284167601 131055630 /nfs/dbraw/zinc/05/56/30/131055630.db2.gz WVRIDGGHGZTBGB-KBPBESRZSA-N 0 0 307.398 0.388 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC000284367741 131074597 /nfs/dbraw/zinc/07/45/97/131074597.db2.gz FDVCDIRURQSULQ-CHWSQXEVSA-N 0 0 301.350 0.274 10 0 DCAERN O=C(N[C@@H]1CCCCNC1=O)c1cnc(OCC2CC2)cn1 ZINC000284435508 131080581 /nfs/dbraw/zinc/08/05/81/131080581.db2.gz WELIAIMDCJVLQW-LLVKDONJSA-N 0 0 304.350 0.664 10 0 DCAERN Cc1cc(C)n(-c2ccc(N3C[C@H](F)C[C@H]3C(N)=O)nn2)n1 ZINC000284452103 131081526 /nfs/dbraw/zinc/08/15/26/131081526.db2.gz BOLJOPNCJNJHNW-MNOVXSKESA-N 0 0 304.329 0.681 10 0 DCAERN CCS(=O)(=O)c1ccc(N2C[C@H](F)C[C@H]2C(N)=O)cc1 ZINC000284453687 131082152 /nfs/dbraw/zinc/08/21/52/131082152.db2.gz BUXLJHBEJOQUJD-SKDRFNHKSA-N 0 0 300.355 0.882 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCS2)C[C@@H]1c1cnn(C)c1 ZINC000284482759 131084991 /nfs/dbraw/zinc/08/49/91/131084991.db2.gz BBTFXPKOKSWSIY-AGIUHOORSA-N 0 0 322.434 0.604 10 0 DCAERN CC(C)Cn1cc(C(=O)N2CC[C@](O)(c3cn[nH]n3)C2)cn1 ZINC000284609005 131097031 /nfs/dbraw/zinc/09/70/31/131097031.db2.gz MAAJLEVDAZQMEY-CQSZACIVSA-N 0 0 304.354 0.391 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000284933442 131124001 /nfs/dbraw/zinc/12/40/01/131124001.db2.gz UUIZQQYDRWIKCO-STQMWFEESA-N 0 0 318.377 0.397 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000285106394 131138508 /nfs/dbraw/zinc/13/85/08/131138508.db2.gz YFSOHJKUBSBPPS-HLLBOEOZSA-N 0 0 318.373 0.134 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)COCc3ccnn3C)CCO2)cn1 ZINC000285233676 131149519 /nfs/dbraw/zinc/14/95/19/131149519.db2.gz KSZNTXWMLHCLJT-CQSZACIVSA-N 0 0 319.365 0.270 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)c3)C[C@@H]21 ZINC000285381649 131162351 /nfs/dbraw/zinc/16/23/51/131162351.db2.gz XVGXREBZUBMODY-KBPBESRZSA-N 0 0 318.377 0.722 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)COCc1ccnn1C ZINC000285432732 131167893 /nfs/dbraw/zinc/16/78/93/131167893.db2.gz XWENWKIOLCWHEE-GFCCVEGCSA-N 0 0 318.381 0.742 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1cnn(C)c1 ZINC000285524437 131177822 /nfs/dbraw/zinc/17/78/22/131177822.db2.gz TXJOLGDODMOHMA-UBHSHLNASA-N 0 0 307.398 0.596 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)NCC(F)(F)F ZINC000366653415 131300408 /nfs/dbraw/zinc/30/04/08/131300408.db2.gz MXNULDVPYFZPGU-ZJUUUORDSA-N 0 0 323.315 0.733 10 0 DCAERN O=C(C[C@@H]1COC(=O)C1)N1CCCN(c2cccnn2)CC1 ZINC000164080704 132130881 /nfs/dbraw/zinc/13/08/81/132130881.db2.gz YOQGPBQTRIUJDH-LBPRGKRZSA-N 0 0 304.350 0.469 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1 ZINC000120608841 132149178 /nfs/dbraw/zinc/14/91/78/132149178.db2.gz KZUWAYXCAGGHEA-GFCCVEGCSA-N 0 0 300.380 0.341 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000113130301 132175124 /nfs/dbraw/zinc/17/51/24/132175124.db2.gz OGTPFOYMJULIGG-RYUDHWBXSA-N 0 0 318.439 0.573 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1 ZINC000186829412 533672251 /nfs/dbraw/zinc/67/22/51/533672251.db2.gz VGZNOCIYUUBSRC-JKXDFHQYSA-N 0 0 308.422 0.907 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000401797752 292043661 /nfs/dbraw/zinc/04/36/61/292043661.db2.gz JHDYSIGHXYFIHE-RKDXNWHRSA-N 0 0 319.404 0.926 10 0 DCAERN Cc1cc(C)n(-c2nnc(SCC(=O)NC(C)(C)C)n2N)n1 ZINC000018805273 395690854 /nfs/dbraw/zinc/69/08/54/395690854.db2.gz RNHBAWWTXDHUJX-UHFFFAOYSA-N 0 0 323.426 0.801 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCOCC1 ZINC000000052522 395679661 /nfs/dbraw/zinc/67/96/61/395679661.db2.gz ZFLZMLCVLHFBGK-GHMZBOCLSA-N 0 0 300.355 0.216 10 0 DCAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@H](O)C1 ZINC000085379733 395699913 /nfs/dbraw/zinc/69/99/13/395699913.db2.gz AUMMUIZWLNDQKS-WDEREUQCSA-N 0 0 310.300 0.911 10 0 DCAERN O=C(Cn1nc2n(c1=O)CCCCC2)NCc1cccnc1 ZINC000030522670 395702891 /nfs/dbraw/zinc/70/28/91/395702891.db2.gz LMYSIYPNMMIOAF-UHFFFAOYSA-N 0 0 301.350 0.483 10 0 DCAERN Cc1ccc2ncc(C(=O)N3CC[C@H](C)[C@H](O)C3)c(=O)n2c1 ZINC000089406934 395710946 /nfs/dbraw/zinc/71/09/46/395710946.db2.gz RFUOESGUZIRINX-WCQYABFASA-N 0 0 301.346 0.846 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000089429451 395711713 /nfs/dbraw/zinc/71/17/13/395711713.db2.gz XFFUHVZDQOBLPQ-WCBMZHEXSA-N 0 0 305.334 0.678 10 0 DCAERN COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)CC2 ZINC000089482543 395712223 /nfs/dbraw/zinc/71/22/23/395712223.db2.gz HOPSCDXJBMGCNC-TUAOUCFPSA-N 0 0 323.397 0.152 10 0 DCAERN COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000032990326 395715623 /nfs/dbraw/zinc/71/56/23/395715623.db2.gz NZPJIFQRLVSWIO-GFCCVEGCSA-N 0 0 303.322 0.136 10 0 DCAERN CCOC(=O)c1cn(C)nc1S(=O)(=O)N(C)c1ccccn1 ZINC000033895589 395717550 /nfs/dbraw/zinc/71/75/50/395717550.db2.gz WAGWOIHAQQCHGF-UHFFFAOYSA-N 0 0 324.362 0.817 10 0 DCAERN CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1N ZINC000036869456 395724642 /nfs/dbraw/zinc/72/46/42/395724642.db2.gz RTXLBEWJVXMLOQ-SECBINFHSA-N 0 0 304.393 0.076 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(CCO)C1CC1 ZINC000036131003 395722335 /nfs/dbraw/zinc/72/23/35/395722335.db2.gz QJGQAHDWJFHAEY-UHFFFAOYSA-N 0 0 317.363 0.828 10 0 DCAERN COC[C@H](O)CN(C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036160127 395722467 /nfs/dbraw/zinc/72/24/67/395722467.db2.gz GEZGQBMGXRYEGN-SECBINFHSA-N 0 0 323.418 0.912 10 0 DCAERN NC(=O)c1cncc(N2CCC(CN3CCCCC3=O)CC2)n1 ZINC000092658334 395732467 /nfs/dbraw/zinc/73/24/67/395732467.db2.gz ITEBUPWKSBCFOP-UHFFFAOYSA-N 0 0 317.393 0.804 10 0 DCAERN O=c1[nH]c(=O)n(C[C@@H]2CCCO2)cc1I ZINC000094206910 395739969 /nfs/dbraw/zinc/73/99/69/395739969.db2.gz PCXVXEJNKKGPJS-LURJTMIESA-N 0 0 322.102 0.320 10 0 DCAERN CCC(=O)N1CCCN(S(=O)(=O)c2ccccc2N)CC1 ZINC000040348094 395733438 /nfs/dbraw/zinc/73/34/38/395733438.db2.gz MMZBOPMCNRJAFR-UHFFFAOYSA-N 0 0 311.407 0.902 10 0 DCAERN COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000095017301 395740581 /nfs/dbraw/zinc/74/05/81/395740581.db2.gz RWQQHZBEUKIJHO-MRVPVSSYSA-N 0 0 302.327 0.592 10 0 DCAERN C[C@@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)C[C@@H]1O ZINC000093351236 395738156 /nfs/dbraw/zinc/73/81/56/395738156.db2.gz QOAPWLMCFSPDBL-OLZOCXBDSA-N 0 0 321.425 0.959 10 0 DCAERN CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](O)C1)N1CCOCC1 ZINC000093351671 395738543 /nfs/dbraw/zinc/73/85/43/395738543.db2.gz AGEBXROIOROZGV-SOUVJXGZSA-N 0 0 313.442 0.756 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NC(=O)NC1CC1 ZINC000041624659 395738692 /nfs/dbraw/zinc/73/86/92/395738692.db2.gz NUZPPAPWWRSXOV-DRZSPHRISA-N 0 0 323.393 0.781 10 0 DCAERN CNC(=O)C1(N2CCC[C@H]2C(=O)NCC2CC2)CCOCC1 ZINC000096113116 395744763 /nfs/dbraw/zinc/74/47/63/395744763.db2.gz YSQYMHQRYRGWHC-ZDUSSCGKSA-N 0 0 309.410 0.272 10 0 DCAERN CN(C)C(=O)c1cccc(NC(=O)CN2CCNC(=O)CC2)c1 ZINC000042570281 395746326 /nfs/dbraw/zinc/74/63/26/395746326.db2.gz XUVZJICPOJZIBI-UHFFFAOYSA-N 0 0 318.377 0.149 10 0 DCAERN O=C(CN1CCN(CCO)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000097472432 395757870 /nfs/dbraw/zinc/75/78/70/395757870.db2.gz YDHBESIZIROHQK-GFCCVEGCSA-N 0 0 323.359 0.397 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)NCCCC(N)=O)CC2=O)cc1 ZINC000042927794 395750685 /nfs/dbraw/zinc/75/06/85/395750685.db2.gz WGEFQLCBCNGIRY-LBPRGKRZSA-N 0 0 303.362 0.730 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000043273125 395752058 /nfs/dbraw/zinc/75/20/58/395752058.db2.gz UBYLAQFDRIALPE-UWVGGRQHSA-N 0 0 305.425 0.895 10 0 DCAERN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000193945701 395783689 /nfs/dbraw/zinc/78/36/89/395783689.db2.gz MRRAIKNWKKDPGE-NSHDSACASA-N 0 0 324.402 0.954 10 0 DCAERN CN(C)C(=O)CCNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047031308 395786077 /nfs/dbraw/zinc/78/60/77/395786077.db2.gz JMUVCGXOGBQBDL-GFCCVEGCSA-N 0 0 320.397 0.223 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194093777 395788434 /nfs/dbraw/zinc/78/84/34/395788434.db2.gz XPFAROZPSDHASX-ZDUSSCGKSA-N 0 0 316.361 0.948 10 0 DCAERN Cc1ccc(CN(C)C(=O)NCCN2CCCS2(=O)=O)o1 ZINC000194095648 395788573 /nfs/dbraw/zinc/78/85/73/395788573.db2.gz GYVRDWKBLGAWCI-UHFFFAOYSA-N 0 0 315.395 0.765 10 0 DCAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCCO ZINC000098067128 395761699 /nfs/dbraw/zinc/76/16/99/395761699.db2.gz PCMLOHGFKFNINO-GFCCVEGCSA-N 0 0 300.305 0.828 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(Cc2nc(N)nc(N)n2)CC1 ZINC000101549604 395765045 /nfs/dbraw/zinc/76/50/45/395765045.db2.gz FSWLXCBRYNXRDV-JTQLQIEISA-N 0 0 321.429 0.409 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)NCC(=O)NC1CCCCC1 ZINC000102009969 395768719 /nfs/dbraw/zinc/76/87/19/395768719.db2.gz BTHABDXNLIQNSY-LLVKDONJSA-N 0 0 308.386 0.415 10 0 DCAERN COC(=O)c1ccc(CNS(=O)(=O)N2CCOCC2)cc1 ZINC000046543319 395777586 /nfs/dbraw/zinc/77/75/86/395777586.db2.gz IAKTXPPLXFQXNO-UHFFFAOYSA-N 0 0 314.363 0.140 10 0 DCAERN O=c1n(CCn2nnc3ccccc3c2=O)nc2ccccn21 ZINC000046581958 395778829 /nfs/dbraw/zinc/77/88/29/395778829.db2.gz JQRQJPUNNCOEPK-UHFFFAOYSA-N 0 0 308.301 0.301 10 0 DCAERN CCc1[nH]c(C(=O)NC[C@@H]2CN(C)CCO2)c(C)c1C(=O)OC ZINC000194725046 395805239 /nfs/dbraw/zinc/80/52/39/395805239.db2.gz CQMUZAFQZGEOOV-LLVKDONJSA-N 0 0 323.393 0.733 10 0 DCAERN COCCCS(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000111327644 395806586 /nfs/dbraw/zinc/80/65/86/395806586.db2.gz HKBFOSNSCFSEMF-UHFFFAOYSA-N 0 0 310.379 0.723 10 0 DCAERN Cc1c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)sc2nccn12 ZINC000270816075 395811044 /nfs/dbraw/zinc/81/10/44/395811044.db2.gz AGVGFVUSDFVLPG-JTQLQIEISA-N 0 0 322.390 0.369 10 0 DCAERN COCCc1cc(NC(=O)Cn2ccc(C)cc2=O)n(C)n1 ZINC000194879420 395811357 /nfs/dbraw/zinc/81/13/57/395811357.db2.gz RBROQCJBBCJHJI-UHFFFAOYSA-N 0 0 304.350 0.718 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N[C@H](C)C(=O)N(C)C)n1 ZINC000195094781 395815873 /nfs/dbraw/zinc/81/58/73/395815873.db2.gz CBMSHSTZLPZKNP-SNVBAGLBSA-N 0 0 311.386 0.902 10 0 DCAERN CCOC1CC(CNC(=O)CSC)(N2CCOCC2)C1 ZINC000195190816 395821037 /nfs/dbraw/zinc/82/10/37/395821037.db2.gz XYUWBBWSYXBKTM-UHFFFAOYSA-N 0 0 302.440 0.736 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)C[C@@H](C)OC)CC1 ZINC000195229243 395821600 /nfs/dbraw/zinc/82/16/00/395821600.db2.gz GGFBPVFHERWSKS-LLVKDONJSA-N 0 0 316.427 0.842 10 0 DCAERN C[C@@H](NC(=O)CN1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339891 395825705 /nfs/dbraw/zinc/82/57/05/395825705.db2.gz JIMRKLAOLGKPAS-NEPJUHHUSA-N 0 0 324.450 0.915 10 0 DCAERN CCN(CC)C(=O)CN1CCN(Cc2nnc(C)n2CC)CC1 ZINC000195430138 395826365 /nfs/dbraw/zinc/82/63/65/395826365.db2.gz RAFBDDPBUGIWPB-UHFFFAOYSA-N 0 0 322.457 0.592 10 0 DCAERN COC(=O)CNC(=O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195438817 395826951 /nfs/dbraw/zinc/82/69/51/395826951.db2.gz XJBFTRBZBDZGKJ-SNVBAGLBSA-N 0 0 310.354 0.619 10 0 DCAERN Cc1c([C@@H](C)NC(=O)NC[C@@H](C)N2CCOCC2)cnn1C ZINC000049130610 395828444 /nfs/dbraw/zinc/82/84/44/395828444.db2.gz IKLNYHSTVBBWJI-VXGBXAGGSA-N 0 0 309.414 0.809 10 0 DCAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@]3(O)CCSC3)C2)n[nH]1 ZINC000271002048 395829604 /nfs/dbraw/zinc/82/96/04/395829604.db2.gz QIZPZMSBDRKEMX-OTYXRUKQSA-N 0 0 324.406 0.083 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCC(c2ccnn2C)CC1 ZINC000195504732 395829950 /nfs/dbraw/zinc/82/99/50/395829950.db2.gz BIUFAFBHWAMTMC-NSHDSACASA-N 0 0 308.382 0.277 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195517920 395830558 /nfs/dbraw/zinc/83/05/58/395830558.db2.gz XDPRZDCNKUOPRF-LBPRGKRZSA-N 0 0 324.381 0.312 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000195509106 395830943 /nfs/dbraw/zinc/83/09/43/395830943.db2.gz AGBBPRXWLSMHJQ-CYBMUJFWSA-N 0 0 308.426 0.970 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000118115941 395859871 /nfs/dbraw/zinc/85/98/71/395859871.db2.gz YAMWYMJLUSKYCU-CYBMUJFWSA-N 0 0 305.378 0.634 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)ccc1F ZINC000118115291 395860214 /nfs/dbraw/zinc/86/02/14/395860214.db2.gz QAIRJIKTXZLXPH-GFCCVEGCSA-N 0 0 309.341 0.519 10 0 DCAERN CC[C@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000115308251 395838376 /nfs/dbraw/zinc/83/83/76/395838376.db2.gz NKMDIRXUIMPOSL-NSHDSACASA-N 0 0 317.345 0.327 10 0 DCAERN NC(=O)c1cc(-n2ccc(I)n2)ccn1 ZINC000217708455 395840081 /nfs/dbraw/zinc/84/00/81/395840081.db2.gz QQHWSRFWRGSADY-UHFFFAOYSA-N 0 0 314.086 0.971 10 0 DCAERN CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H](C)c1cccnc1 ZINC000115471409 395840242 /nfs/dbraw/zinc/84/02/42/395840242.db2.gz PUYQWUWQRCULAF-NSHDSACASA-N 0 0 306.366 0.243 10 0 DCAERN Cc1cc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)n(C)n1 ZINC000116321441 395843310 /nfs/dbraw/zinc/84/33/10/395843310.db2.gz TXIWRJMCMXXMQR-LBPRGKRZSA-N 0 0 302.382 0.890 10 0 DCAERN CCOc1ccnc(N2CCN(CCCC(=O)OC)CC2)n1 ZINC000116399357 395844070 /nfs/dbraw/zinc/84/40/70/395844070.db2.gz ZBYQGRLQAISFLL-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN CCS[C@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116833932 395846945 /nfs/dbraw/zinc/84/69/45/395846945.db2.gz PKXIPNFYOPLPTE-QWRGUYRKSA-N 0 0 308.469 0.914 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000116833586 395847199 /nfs/dbraw/zinc/84/71/99/395847199.db2.gz NDOQWELDDKRFEK-NSHDSACASA-N 0 0 304.318 0.729 10 0 DCAERN COc1ccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116834576 395847923 /nfs/dbraw/zinc/84/79/23/395847923.db2.gz FYCSWEMNTXAUOL-GFCCVEGCSA-N 0 0 312.391 0.388 10 0 DCAERN COCc1ccccc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116835779 395848019 /nfs/dbraw/zinc/84/80/19/395848019.db2.gz KJEBJVSTWATETF-LBPRGKRZSA-N 0 0 312.391 0.597 10 0 DCAERN CCn1ccc(C(=O)N[C@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)cc1=O ZINC000220110753 395848097 /nfs/dbraw/zinc/84/80/97/395848097.db2.gz VPWJWUMJJIUZOT-MXYBEHONSA-N 0 0 306.362 0.648 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000225452150 395860829 /nfs/dbraw/zinc/86/08/29/395860829.db2.gz XLOVAUNMYVJQRU-RYUDHWBXSA-N 0 0 315.395 0.385 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1 ZINC000116889805 395848795 /nfs/dbraw/zinc/84/87/95/395848795.db2.gz GRHSWJIPHDUNEV-OLZOCXBDSA-N 0 0 314.407 0.050 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2cccc(F)c2)C1 ZINC000116940822 395849682 /nfs/dbraw/zinc/84/96/82/395849682.db2.gz KIOQLEYTYXXHLO-LBPRGKRZSA-N 0 0 315.370 0.659 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000116929944 395849744 /nfs/dbraw/zinc/84/97/44/395849744.db2.gz MMKIZQXVSUGKHY-LLVKDONJSA-N 0 0 301.343 0.981 10 0 DCAERN CCc1cc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n(C)n1 ZINC000117007791 395850766 /nfs/dbraw/zinc/85/07/66/395850766.db2.gz JHNKLRFKSOSVBH-JTQLQIEISA-N 0 0 315.399 0.138 10 0 DCAERN COCCN1CCN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1C ZINC000117285944 395851447 /nfs/dbraw/zinc/85/14/47/395851447.db2.gz CXLZBMHPBRLLOF-ZDUSSCGKSA-N 0 0 306.410 0.940 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](C)OC)cc1 ZINC000223849842 395856744 /nfs/dbraw/zinc/85/67/44/395856744.db2.gz JUXJKOFVFWVZQG-JTQLQIEISA-N 0 0 301.364 0.715 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000270651649 395793839 /nfs/dbraw/zinc/79/38/39/395793839.db2.gz QVJDMZCKMHSVTQ-RWMBFGLXSA-N 0 0 305.382 0.922 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000194343582 395794277 /nfs/dbraw/zinc/79/42/77/395794277.db2.gz VJAJDVNETHBECI-YGRLFVJLSA-N 0 0 314.345 0.037 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000109036034 395796092 /nfs/dbraw/zinc/79/60/92/395796092.db2.gz CTTOJHPJRVDBIO-LDYMZIIASA-N 0 0 302.334 0.893 10 0 DCAERN COCCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081307 395796509 /nfs/dbraw/zinc/79/65/09/395796509.db2.gz HLCLNEOBFVKEJJ-WDEREUQCSA-N 0 0 312.316 0.947 10 0 DCAERN Cc1ccn(CC(=O)N2CCC[C@H](n3cncn3)C2)c(=O)c1 ZINC000194600058 395800329 /nfs/dbraw/zinc/80/03/29/395800329.db2.gz DJBWUHZNROMCSB-ZDUSSCGKSA-N 0 0 301.350 0.612 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cccnc2N2CCCC2)C1 ZINC000194600650 395800399 /nfs/dbraw/zinc/80/03/99/395800399.db2.gz SFQGYFRWEYTBDK-ZDUSSCGKSA-N 0 0 304.394 0.742 10 0 DCAERN Cc1noc(CCNC(=O)c2cccnc2N2CCOCC2)n1 ZINC000194614710 395801242 /nfs/dbraw/zinc/80/12/42/395801242.db2.gz AGWJGBPZXFXCMH-UHFFFAOYSA-N 0 0 317.349 0.582 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194613663 395801539 /nfs/dbraw/zinc/80/15/39/395801539.db2.gz QWJJUDXEUQDNMD-DGCLKSJQSA-N 0 0 303.362 0.559 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCCc1cscn1 ZINC000234581657 395889320 /nfs/dbraw/zinc/88/93/20/395889320.db2.gz LMXANQWUZJQMDO-QWRGUYRKSA-N 0 0 318.420 0.947 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CC[C@@H](C(N)=O)C2)cc1C ZINC000053892798 395891025 /nfs/dbraw/zinc/89/10/25/395891025.db2.gz KPJORLXLGLZJPT-CYBMUJFWSA-N 0 0 303.362 0.367 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCNC[C@@H]1C ZINC000054371455 395899144 /nfs/dbraw/zinc/89/91/44/395899144.db2.gz PWJRWHSUEAGWQF-QMMMGPOBSA-N 0 0 316.379 0.665 10 0 DCAERN CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1=O ZINC000133924955 395929977 /nfs/dbraw/zinc/92/99/77/395929977.db2.gz UGVVTSKTHWCLFR-RWMBFGLXSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(CN1CCc2n[nH]cc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000125777201 395905719 /nfs/dbraw/zinc/90/57/19/395905719.db2.gz RNMYFRGRSFNRKS-GJZGRUSLSA-N 0 0 304.394 0.938 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CN2CCNC(=O)CC2)c1 ZINC000054867688 395907812 /nfs/dbraw/zinc/90/78/12/395907812.db2.gz VPWKYVQDVYPZQK-UHFFFAOYSA-N 0 0 311.407 0.259 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000127761185 395916452 /nfs/dbraw/zinc/91/64/52/395916452.db2.gz IWONNBSVTUFROM-CYBMUJFWSA-N 0 0 309.410 0.906 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000130072244 395921815 /nfs/dbraw/zinc/92/18/15/395921815.db2.gz NBXVXKAGVBBWDN-AWEZNQCLSA-N 0 0 318.421 0.449 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)NCCCn1ccnn1 ZINC000130788962 395923544 /nfs/dbraw/zinc/92/35/44/395923544.db2.gz PHMYTTFSQXCSAG-UHFFFAOYSA-N 0 0 317.349 0.223 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)CN2CSCC2=O)n[nH]1 ZINC000119685184 395874418 /nfs/dbraw/zinc/87/44/18/395874418.db2.gz MLJXYNJVWFGEGQ-UHFFFAOYSA-N 0 0 306.351 0.282 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1cccnc1Br ZINC000229690726 395875424 /nfs/dbraw/zinc/87/54/24/395875424.db2.gz BKXNXZGCQMPNCS-NSHDSACASA-N 0 0 301.140 0.725 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000053135896 395876773 /nfs/dbraw/zinc/87/67/73/395876773.db2.gz CTVYJWPTMNPJEU-CQSZACIVSA-N 0 0 312.435 0.710 10 0 DCAERN O=S(=O)(NC[C@@]1(CCO)CCOC1)N1CCCCCC1 ZINC000120189642 395881712 /nfs/dbraw/zinc/88/17/12/395881712.db2.gz ARYZJAUKYJDUMA-CYBMUJFWSA-N 0 0 306.428 0.486 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000273615542 395933614 /nfs/dbraw/zinc/93/36/14/395933614.db2.gz SNQBZURAKWURLD-GFCCVEGCSA-N 0 0 309.366 0.283 10 0 DCAERN CCS(=O)(=O)NCCN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246043428 395939865 /nfs/dbraw/zinc/93/98/65/395939865.db2.gz SEAWOEMSBVFWRZ-AGIUHOORSA-N 0 0 318.439 0.732 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)N1CCO[C@]2(CCOC2)C1 ZINC000274362244 395942025 /nfs/dbraw/zinc/94/20/25/395942025.db2.gz DNTUDDVELXLRHZ-MRXNPFEDSA-N 0 0 320.393 0.920 10 0 DCAERN CN(C)c1ncc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)n1C ZINC000274365830 395942557 /nfs/dbraw/zinc/94/25/57/395942557.db2.gz FEPXWHGHHSGFDM-HNNXBMFYSA-N 0 0 323.397 0.187 10 0 DCAERN CS(=O)(=O)NCCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246219062 395944651 /nfs/dbraw/zinc/94/46/51/395944651.db2.gz PGQBKSVKHQHNKV-BFHYXJOUSA-N 0 0 323.418 0.563 10 0 DCAERN CCn1cc(C(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000136544389 395947413 /nfs/dbraw/zinc/94/74/13/395947413.db2.gz DWBMOSWPQWRNAK-OCCSQVGLSA-N 0 0 320.393 0.265 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1C ZINC000246359068 395948202 /nfs/dbraw/zinc/94/82/02/395948202.db2.gz XEHKHCLQUUSBPR-STQMWFEESA-N 0 0 306.410 0.747 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000246833951 395958761 /nfs/dbraw/zinc/95/87/61/395958761.db2.gz CAVPCANTOCLIMJ-FVCCEPFGSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000246867100 395959532 /nfs/dbraw/zinc/95/95/32/395959532.db2.gz KWXDOBATWXNEOO-SRVKXCTJSA-N 0 0 314.407 0.930 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000248941568 396000286 /nfs/dbraw/zinc/00/02/86/396000286.db2.gz YVKAEJPUKANPNX-HBJVGIJOSA-N 0 0 318.439 0.888 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000144530001 395963214 /nfs/dbraw/zinc/96/32/14/395963214.db2.gz KXTRTPMJFOBYOL-GFCCVEGCSA-N 0 0 314.411 0.165 10 0 DCAERN CCOCCNC(=O)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000247103779 395966959 /nfs/dbraw/zinc/96/69/59/395966959.db2.gz ZQFHXJKJIOSDAJ-RDBSUJKOSA-N 0 0 312.410 0.945 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000247251662 395970725 /nfs/dbraw/zinc/97/07/25/395970725.db2.gz YVQGNAMSGPCZGK-CYBMUJFWSA-N 0 0 305.444 0.370 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000150771950 395972369 /nfs/dbraw/zinc/97/23/69/395972369.db2.gz IOPWOEBOMKNSQR-KBPBESRZSA-N 0 0 312.410 0.945 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CCN(C)C(=O)C3)C2)cn1 ZINC000247473190 395973866 /nfs/dbraw/zinc/97/38/66/395973866.db2.gz SBQFQIRWKOOLOO-QWHCGFSZSA-N 0 0 319.409 0.374 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1nc[nH]n1 ZINC000247489739 395974691 /nfs/dbraw/zinc/97/46/91/395974691.db2.gz LYUGJBXETNAJNW-LLVKDONJSA-N 0 0 319.390 0.716 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000248998745 396001096 /nfs/dbraw/zinc/00/10/96/396001096.db2.gz PUKXRCMXTFCRLL-JIMOISOXSA-N 0 0 312.391 0.041 10 0 DCAERN Cc1cccc(OC[C@@H](O)CN2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000151053804 395977951 /nfs/dbraw/zinc/97/79/51/395977951.db2.gz LZGMDQAJLMYTRO-KGLIPLIRSA-N 0 0 313.419 0.854 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000151069918 395978034 /nfs/dbraw/zinc/97/80/34/395978034.db2.gz NVYZFCQURKPTLB-AWEZNQCLSA-N 0 0 309.391 0.560 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H]3CCCO3)CCO2)[nH]1 ZINC000151104278 395978748 /nfs/dbraw/zinc/97/87/48/395978748.db2.gz HBKXOVKTVBBXMO-GHMZBOCLSA-N 0 0 309.370 0.629 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncccn2)C1)N[C@H]1CCCOC1 ZINC000247778527 395978781 /nfs/dbraw/zinc/97/87/81/395978781.db2.gz RHPMZKFCZSGSBP-OLZOCXBDSA-N 0 0 305.382 0.924 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCCC1=O ZINC000151162728 395980074 /nfs/dbraw/zinc/98/00/74/395980074.db2.gz ZNUTZNXVRNWXHJ-NSHDSACASA-N 0 0 305.382 0.804 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151228825 395981794 /nfs/dbraw/zinc/98/17/94/395981794.db2.gz FKGYBNRXIKMOFV-OUCADQQQSA-N 0 0 316.423 0.510 10 0 DCAERN O=C1NC[C@H]2CN(C[C@@H](O)c3ccccc3Cl)CCN2C1=O ZINC000248131906 395983171 /nfs/dbraw/zinc/98/31/71/395983171.db2.gz ONOUEMKBXMAUIB-GXFFZTMASA-N 0 0 323.780 0.016 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)NC1CCCCC1 ZINC000063843459 395983854 /nfs/dbraw/zinc/98/38/54/395983854.db2.gz OQMKXEPOXWDCSV-VXGBXAGGSA-N 0 0 324.425 0.731 10 0 DCAERN COCCS(=O)(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000151292317 395983935 /nfs/dbraw/zinc/98/39/35/395983935.db2.gz IKPIGMKDEPXEDN-UHFFFAOYSA-N 0 0 317.411 0.031 10 0 DCAERN CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000151559049 395988225 /nfs/dbraw/zinc/98/82/25/395988225.db2.gz SYFWLZLWJWOAQY-CYBMUJFWSA-N 0 0 321.425 0.812 10 0 DCAERN CCCNC(=O)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151584646 395988775 /nfs/dbraw/zinc/98/87/75/395988775.db2.gz ZILIHAMCDKZRBP-UHFFFAOYSA-N 0 0 321.303 0.764 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccc(Br)s2)C1 ZINC000276178161 395989336 /nfs/dbraw/zinc/98/93/36/395989336.db2.gz ABRHTLUDXLUZCF-JTQLQIEISA-N 0 0 319.180 0.573 10 0 DCAERN COc1nccnc1N1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC000065268980 395991976 /nfs/dbraw/zinc/99/19/76/395991976.db2.gz HADWZLSPAQAPLU-NSHDSACASA-N 0 0 314.349 0.626 10 0 DCAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC1CCOCC1 ZINC000152183788 396001915 /nfs/dbraw/zinc/00/19/15/396001915.db2.gz JRWFIFYQVVLXND-OAHLLOKOSA-N 0 0 305.378 0.830 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000151893402 395996072 /nfs/dbraw/zinc/99/60/72/395996072.db2.gz VJSCOXFGBZLBGQ-YPMHNXCESA-N 0 0 302.309 0.852 10 0 DCAERN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)[C@H](C)CO ZINC000151918284 395996782 /nfs/dbraw/zinc/99/67/82/395996782.db2.gz IYMHCELDJHDBIG-VXGBXAGGSA-N 0 0 303.362 0.920 10 0 DCAERN CCn1cc([C@@H]2CN(C[C@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000248789795 395996924 /nfs/dbraw/zinc/99/69/24/395996924.db2.gz NISLOVBEHHUKMQ-JSGCOSHPSA-N 0 0 315.439 0.957 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCO[C@@]2(CCOC2)C1 ZINC000249059519 396002263 /nfs/dbraw/zinc/00/22/63/396002263.db2.gz YEKSFPUUFCPWGV-HIFRSBDPSA-N 0 0 300.399 0.409 10 0 DCAERN CCn1cc([C@H]2CN([C@H](C)CN3CCOCC3)CCO2)cn1 ZINC000248802995 395997919 /nfs/dbraw/zinc/99/79/19/395997919.db2.gz QUVKJTLENPMUMG-GDBMZVCRSA-N 0 0 308.426 0.997 10 0 DCAERN CCCn1cc(CN2CCCN(S(C)(=O)=O)CC2)cn1 ZINC000153267321 396023005 /nfs/dbraw/zinc/02/30/05/396023005.db2.gz DNPABHDHWGBFFT-UHFFFAOYSA-N 0 0 300.428 0.760 10 0 DCAERN CCNC(=O)NC(=O)CN1CCN(CC(F)F)[C@H](CC)C1 ZINC000153452823 396024768 /nfs/dbraw/zinc/02/47/68/396024768.db2.gz QKNFNJQINTZBDG-SNVBAGLBSA-N 0 0 306.357 0.493 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000253351802 396025498 /nfs/dbraw/zinc/02/54/98/396025498.db2.gz LNYRAJFGWLUHTN-GZBFAFLISA-N 0 0 300.399 0.001 10 0 DCAERN CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153861827 396026280 /nfs/dbraw/zinc/02/62/80/396026280.db2.gz ODQVFPDYLQBPTD-WDEREUQCSA-N 0 0 309.370 0.624 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccncc2)C1 ZINC000153895837 396027247 /nfs/dbraw/zinc/02/72/47/396027247.db2.gz BOLMODVAUCZNKE-GJZGRUSLSA-N 0 0 316.405 0.942 10 0 DCAERN O=C(COc1ccccc1F)NC[C@H](O)CN1CCOCC1 ZINC000154125759 396032186 /nfs/dbraw/zinc/03/21/86/396032186.db2.gz QJMMEIUFLYQSKI-LBPRGKRZSA-N 0 0 312.341 0.014 10 0 DCAERN Cc1nc(CC(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)s1 ZINC000154293312 396035817 /nfs/dbraw/zinc/03/58/17/396035817.db2.gz HATQFGGGOMQCNE-MRVPVSSYSA-N 0 0 302.421 0.948 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CNC(=O)C1)c1cn(-c2ccccc2)nn1 ZINC000154730911 396040990 /nfs/dbraw/zinc/04/09/90/396040990.db2.gz SSZQQGSYPDHHJV-NSHDSACASA-N 0 0 313.361 0.755 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)[C@@H](C)C2 ZINC000155246091 396048873 /nfs/dbraw/zinc/04/88/73/396048873.db2.gz KFDYMXHVMYDXSS-NHYWBVRUSA-N 0 0 317.389 0.549 10 0 DCAERN CC(=O)Nc1nc(CN2CCS(=O)(=O)[C@@H](C)C2)cs1 ZINC000155400662 396050953 /nfs/dbraw/zinc/05/09/53/396050953.db2.gz BOCRUWMTKMSXKG-QMMMGPOBSA-N 0 0 303.409 0.720 10 0 DCAERN CCn1cnnc1C1CCN([C@H](C)C(=O)NCC(=O)OC)CC1 ZINC000155398647 396051141 /nfs/dbraw/zinc/05/11/41/396051141.db2.gz PMZACRSOTAWCKB-LLVKDONJSA-N 0 0 323.397 0.155 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ncc(F)cc2F)C1 ZINC000277132925 396051675 /nfs/dbraw/zinc/05/16/75/396051675.db2.gz OWERNHDXZYYTLX-MRVPVSSYSA-N 0 0 305.306 0.124 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@H]1C ZINC000261680318 396055713 /nfs/dbraw/zinc/05/57/13/396055713.db2.gz LQCIZZYIUPXVBJ-HTQZYQBOSA-N 0 0 319.408 0.206 10 0 DCAERN Cn1ccc(Cn2ncc(I)cc2=O)n1 ZINC000158595211 396065361 /nfs/dbraw/zinc/06/53/61/396065361.db2.gz GFAVPVUBZFTOEO-UHFFFAOYSA-N 0 0 316.102 0.630 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000152193891 396003028 /nfs/dbraw/zinc/00/30/28/396003028.db2.gz GRYYOBBIMWTAIR-IINYFYTJSA-N 0 0 323.418 0.862 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000152343521 396007129 /nfs/dbraw/zinc/00/71/29/396007129.db2.gz JOHQZJNPHJLELS-ZNMIVQPWSA-N 0 0 323.437 0.757 10 0 DCAERN COc1ccc(OC)c2c1CN([C@@H](C)c1nnnn1C)C[C@@H]2O ZINC000249509497 396009129 /nfs/dbraw/zinc/00/91/29/396009129.db2.gz ZLFQJMIFEBYQHQ-ONGXEEELSA-N 0 0 319.365 0.838 10 0 DCAERN CCc1cnc(CCNC(=O)N2CCN3C(=O)NC[C@H]3C2)s1 ZINC000152459198 396009997 /nfs/dbraw/zinc/00/99/97/396009997.db2.gz CVNAVYPUGDTGTD-JTQLQIEISA-N 0 0 323.422 0.667 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2O)C1 ZINC000249725576 396012285 /nfs/dbraw/zinc/01/22/85/396012285.db2.gz LTANYRZMQDFDJW-SDDRHHMPSA-N 0 0 304.412 0.078 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CCS1(=O)=O ZINC000152663562 396014097 /nfs/dbraw/zinc/01/40/97/396014097.db2.gz QEVGBRXKYPZNCF-JTQLQIEISA-N 0 0 312.395 0.798 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@]3(O)CCSC3)C2)n(C)n1 ZINC000277848111 396090983 /nfs/dbraw/zinc/09/09/83/396090983.db2.gz CJGPSWUHTWOIRU-SWLSCSKDSA-N 0 0 324.450 0.682 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)N(C(C)=O)C1 ZINC000277960876 396097408 /nfs/dbraw/zinc/09/74/08/396097408.db2.gz UEACPKSBDCJLFF-NJZAAPMLSA-N 0 0 320.393 0.550 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)C(=O)N2CCC(C)CC2)n1 ZINC000277979967 396098284 /nfs/dbraw/zinc/09/82/84/396098284.db2.gz OGZZVSPLOFBOCE-VXGBXAGGSA-N 0 0 322.365 0.271 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1 ZINC000070303033 396101202 /nfs/dbraw/zinc/10/12/02/396101202.db2.gz ARRPITFJZGPZCV-LLVKDONJSA-N 0 0 313.375 0.812 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCOC1 ZINC000171036489 396104951 /nfs/dbraw/zinc/10/49/51/396104951.db2.gz MDGWLRLPSBVMTD-LBPRGKRZSA-N 0 0 324.402 0.910 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](c3cnn(C)c3)C2)N(C(C)=O)C1 ZINC000278228063 396113506 /nfs/dbraw/zinc/11/35/06/396113506.db2.gz SVXIYBUYTPEMQL-VHDGCEQUSA-N 0 0 320.393 0.372 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000171401230 396115905 /nfs/dbraw/zinc/11/59/05/396115905.db2.gz IEGUBMGJXHMCHN-NWDGAFQWSA-N 0 0 300.318 0.693 10 0 DCAERN COC(C)(C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000171585874 396119575 /nfs/dbraw/zinc/11/95/75/396119575.db2.gz QOZOYRSELBQKOQ-VIFPVBQESA-N 0 0 300.380 0.936 10 0 DCAERN O=C(Nc1ccc(-c2ncon2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000171623924 396120892 /nfs/dbraw/zinc/12/08/92/396120892.db2.gz JDEFSGKGZBDRJO-LBPRGKRZSA-N 0 0 316.317 0.970 10 0 DCAERN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H]1CCCOC1 ZINC000171692289 396122638 /nfs/dbraw/zinc/12/26/38/396122638.db2.gz ZIYIFZGDTTWXDH-LLVKDONJSA-N 0 0 318.381 0.551 10 0 DCAERN CS(=O)(=O)NCCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000171736320 396123228 /nfs/dbraw/zinc/12/32/28/396123228.db2.gz TXCQXRANZMKWNY-UHFFFAOYSA-N 0 0 310.335 0.016 10 0 DCAERN CC1(CNC(=O)N[C@@H]2CCCN(c3ncccn3)C2)COC1 ZINC000171851407 396126737 /nfs/dbraw/zinc/12/67/37/396126737.db2.gz KGCBSMDQGYQKPX-GFCCVEGCSA-N 0 0 305.382 0.781 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986920 396128298 /nfs/dbraw/zinc/12/82/98/396128298.db2.gz ROOWWAUVSVAHDU-BBRMVZONSA-N 0 0 317.389 0.848 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172690179 396133169 /nfs/dbraw/zinc/13/31/69/396133169.db2.gz WGZSLCXWGPXHMK-NEPJUHHUSA-N 0 0 304.346 0.766 10 0 DCAERN O=C(CCCNC(=O)N1CC[C@H](N2CCOCC2)C1)NC1CC1 ZINC000173786745 396136328 /nfs/dbraw/zinc/13/63/28/396136328.db2.gz SRWPWGGPAUYWMM-AWEZNQCLSA-N 0 0 324.425 0.161 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173780179 396136499 /nfs/dbraw/zinc/13/64/99/396136499.db2.gz CAANBNNDOKJWLE-AWEZNQCLSA-N 0 0 324.425 0.115 10 0 DCAERN Nc1ccc(CC(=O)N[C@H]2CCCN(c3ncccn3)C2)nc1 ZINC000261867796 396074032 /nfs/dbraw/zinc/07/40/32/396074032.db2.gz KYUVASFRXVBLKN-AWEZNQCLSA-N 0 0 312.377 0.782 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CCCNC3=O)c12 ZINC000069334093 396075403 /nfs/dbraw/zinc/07/54/03/396075403.db2.gz JMMMFJDMSDFKKG-LLVKDONJSA-N 0 0 301.350 0.594 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263223657 396206917 /nfs/dbraw/zinc/20/69/17/396206917.db2.gz MKTDUIBEFZOOEE-GMTAPVOTSA-N 0 0 303.353 0.747 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCO2)cn1 ZINC000263219408 396206940 /nfs/dbraw/zinc/20/69/40/396206940.db2.gz LPCLWGUMQDYNNG-GHMZBOCLSA-N 0 0 300.309 0.317 10 0 DCAERN Cc1cc(N2CCN(C)[C@H](c3nccn3C)C2)n2ncnc2n1 ZINC000280550997 396207136 /nfs/dbraw/zinc/20/71/36/396207136.db2.gz TXBMRQGWNNOGND-LBPRGKRZSA-N 0 0 312.381 0.659 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c(C)s1 ZINC000175859299 396144534 /nfs/dbraw/zinc/14/45/34/396144534.db2.gz JVKZTXKTGMYDPF-JTQLQIEISA-N 0 0 315.420 0.763 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000175884543 396144565 /nfs/dbraw/zinc/14/45/65/396144565.db2.gz WAKXSGDOILIQKV-VXGBXAGGSA-N 0 0 320.397 0.587 10 0 DCAERN CC[NH2+]Cc1ccccc1NC(=O)c1cnc([O-])n(C)c1=O ZINC000262484171 396146052 /nfs/dbraw/zinc/14/60/52/396146052.db2.gz WHWMFKRAYNWICO-UHFFFAOYSA-N 0 0 302.334 0.848 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000176247462 396153367 /nfs/dbraw/zinc/15/33/67/396153367.db2.gz VBIVXKJUPJXNIM-UHFFFAOYSA-N 0 0 318.299 0.444 10 0 DCAERN C[C@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C1CCCC1 ZINC000176481079 396155915 /nfs/dbraw/zinc/15/59/15/396155915.db2.gz HTOXFGZHTPTQMX-JTQLQIEISA-N 0 0 314.411 0.393 10 0 DCAERN CN(C[C@H](O)COCc1ccccc1)C(=O)CCn1cncn1 ZINC000176575803 396157656 /nfs/dbraw/zinc/15/76/56/396157656.db2.gz CVBARMBZCXTXHB-HNNXBMFYSA-N 0 0 318.377 0.704 10 0 DCAERN CC(C)NC(=O)CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000074197181 396160721 /nfs/dbraw/zinc/16/07/21/396160721.db2.gz OEOGYQAWIMDJRY-SWLSCSKDSA-N 0 0 318.377 0.242 10 0 DCAERN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000262623229 396163773 /nfs/dbraw/zinc/16/37/73/396163773.db2.gz QGCCXTZGXUHGKJ-MELADBBJSA-N 0 0 311.426 0.518 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@@H](C)CO1 ZINC000074523498 396168750 /nfs/dbraw/zinc/16/87/50/396168750.db2.gz KDIBMENLVHPBRS-NWDGAFQWSA-N 0 0 308.382 0.407 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000177297131 396171274 /nfs/dbraw/zinc/17/12/74/396171274.db2.gz DXXOYHPFFCKGPZ-HUUCEWRRSA-N 0 0 321.425 0.635 10 0 DCAERN C[C@@H]1CN(C(=O)NCCCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000177297102 396171281 /nfs/dbraw/zinc/17/12/81/396171281.db2.gz DXXOYHPFFCKGPZ-CABCVRRESA-N 0 0 321.425 0.635 10 0 DCAERN CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000177287359 396171398 /nfs/dbraw/zinc/17/13/98/396171398.db2.gz FTSSBXYNITVIBX-LLVKDONJSA-N 0 0 306.366 0.147 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(CCOC(C)C)CC1 ZINC000074773328 396172255 /nfs/dbraw/zinc/17/22/55/396172255.db2.gz JBCVXRWRMVQPIA-UHFFFAOYSA-N 0 0 306.410 0.988 10 0 DCAERN COC(=O)[C@]1(C)CCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 ZINC000177547565 396177939 /nfs/dbraw/zinc/17/79/39/396177939.db2.gz UHTLPDCNEGCBRB-DGCLKSJQSA-N 0 0 304.412 0.848 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccccc1-n1cnnn1 ZINC000177611807 396179798 /nfs/dbraw/zinc/17/97/98/396179798.db2.gz ZIVUMBHSSVDVKP-LLVKDONJSA-N 0 0 310.321 0.519 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)NCCn3cccn3)CCO2)[nH]1 ZINC000178132823 396189585 /nfs/dbraw/zinc/18/95/85/396189585.db2.gz JMUNCIIAIDTFDI-NSHDSACASA-N 0 0 319.369 0.347 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H]3C[C@H]3C)CC2)no1 ZINC000075982305 396191101 /nfs/dbraw/zinc/19/11/01/396191101.db2.gz NNXNOTXEVRRPOZ-ZYHUDNBSSA-N 0 0 321.381 0.657 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262950326 396194011 /nfs/dbraw/zinc/19/40/11/396194011.db2.gz OPQRVLJKUOHGDH-QWHCGFSZSA-N 0 0 300.399 0.912 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)C(=O)NCc1ccccc1 ZINC000263069109 396199904 /nfs/dbraw/zinc/19/99/04/396199904.db2.gz WIHQXEQWPKGHRY-JQWIXIFHSA-N 0 0 311.332 0.805 10 0 DCAERN O=C(NCCNC(=O)[C@@H]1CC(F)(F)CN1)c1cccs1 ZINC000263099711 396201374 /nfs/dbraw/zinc/20/13/74/396201374.db2.gz ZGSTWDMEYOCHQM-QMMMGPOBSA-N 0 0 303.334 0.591 10 0 DCAERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C)Cn3cncn3)c12 ZINC000077825348 396235333 /nfs/dbraw/zinc/23/53/33/396235333.db2.gz BWFFGCOFPNFEDD-SNVBAGLBSA-N 0 0 313.365 0.995 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000180932242 396235584 /nfs/dbraw/zinc/23/55/84/396235584.db2.gz CLZDPPMHRLYFFN-QWRGUYRKSA-N 0 0 300.384 0.841 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cc(F)ccc1F ZINC000181784386 396241920 /nfs/dbraw/zinc/24/19/20/396241920.db2.gz QXFZIALGIHFKIQ-UHFFFAOYSA-N 0 0 309.276 0.701 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1c(F)cccc1F ZINC000181774940 396242308 /nfs/dbraw/zinc/24/23/08/396242308.db2.gz DJOYTHBSSBQTHW-UHFFFAOYSA-N 0 0 309.276 0.701 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C)C(=O)NCCF)cc1 ZINC000281848921 396244186 /nfs/dbraw/zinc/24/41/86/396244186.db2.gz BCWRKRDPJMADBB-SNVBAGLBSA-N 0 0 309.341 0.873 10 0 DCAERN COC(=O)CCN1CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000182114781 396246962 /nfs/dbraw/zinc/24/69/62/396246962.db2.gz SXJNTPRWWJMPAZ-OLZOCXBDSA-N 0 0 320.455 0.236 10 0 DCAERN CC(C)[C@H](CNC(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000182148252 396247040 /nfs/dbraw/zinc/24/70/40/396247040.db2.gz YILIPIWKUXQMJO-AWEZNQCLSA-N 0 0 324.429 0.324 10 0 DCAERN C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000182485778 396251525 /nfs/dbraw/zinc/25/15/25/396251525.db2.gz ALNMQVPZFJHIPA-SNVBAGLBSA-N 0 0 314.407 0.861 10 0 DCAERN O=C(NCCCn1ccnn1)c1ccc2c(c1)OCC(=O)N2 ZINC000182731674 396253279 /nfs/dbraw/zinc/25/32/79/396253279.db2.gz WRPBVLRRMKAKOE-UHFFFAOYSA-N 0 0 301.306 0.429 10 0 DCAERN O=C(c1coc(Br)c1)N1CCS(=O)(=O)CC1 ZINC000264094546 396254625 /nfs/dbraw/zinc/25/46/25/396254625.db2.gz TVHXSANTEYLZJB-UHFFFAOYSA-N 0 0 308.153 0.913 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NC[C@@H]3C[C@H]3C)CC2)n1 ZINC000264108159 396255518 /nfs/dbraw/zinc/25/55/18/396255518.db2.gz MAUPRINPAGPVEK-NEPJUHHUSA-N 0 0 305.382 0.973 10 0 DCAERN Cc1cccc(-n2cc(C(=O)NCCCn3ccnn3)nn2)c1 ZINC000183017855 396258845 /nfs/dbraw/zinc/25/88/45/396258845.db2.gz NNOSSQIIDZXWNK-UHFFFAOYSA-N 0 0 311.349 0.987 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1Cl ZINC000183112989 396261472 /nfs/dbraw/zinc/26/14/72/396261472.db2.gz BGFZWFGBTKSBGJ-UHFFFAOYSA-N 0 0 318.782 0.721 10 0 DCAERN Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C)n1 ZINC000282094502 396262182 /nfs/dbraw/zinc/26/21/82/396262182.db2.gz BSFWSQTXVYMSEV-LBPRGKRZSA-N 0 0 317.397 0.344 10 0 DCAERN CCc1nn(C)c(OC)c1CNC(=O)NCCCn1ccnn1 ZINC000183152087 396262873 /nfs/dbraw/zinc/26/28/73/396262873.db2.gz LITHBJDCFAQQMY-UHFFFAOYSA-N 0 0 321.385 0.472 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1ccc(F)cc1F ZINC000183166212 396263711 /nfs/dbraw/zinc/26/37/11/396263711.db2.gz FONVCRNYLGGJCA-UHFFFAOYSA-N 0 0 302.306 0.925 10 0 DCAERN CCCCNC(=O)[C@H]1CCCN(c2ccc(C(=O)NC)nn2)C1 ZINC000080600139 396282577 /nfs/dbraw/zinc/28/25/77/396282577.db2.gz QADZAHUHBHLZLH-LBPRGKRZSA-N 0 0 319.409 0.969 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000079404323 396264239 /nfs/dbraw/zinc/26/42/39/396264239.db2.gz NCEZCOQHFRENMM-LLVKDONJSA-N 0 0 307.375 0.736 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282113684 396264713 /nfs/dbraw/zinc/26/47/13/396264713.db2.gz JCUZRVOFFYUUTR-SWLSCSKDSA-N 0 0 320.389 0.791 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1-n1cnnn1 ZINC000183277461 396265543 /nfs/dbraw/zinc/26/55/43/396265543.db2.gz LDHZVEIJDAVHAC-ZJUUUORDSA-N 0 0 305.338 0.418 10 0 DCAERN C[C@H]1c2cccn2CCN1C(=O)Cn1cnc2c1ncnc2N ZINC000264313724 396270565 /nfs/dbraw/zinc/27/05/65/396270565.db2.gz DMSBVFLWPBMMEC-JTQLQIEISA-N 0 0 311.349 0.813 10 0 DCAERN O=C(NCCCc1cccc(F)c1)NCC(=O)N1CCOCC1 ZINC000183573215 396270728 /nfs/dbraw/zinc/27/07/28/396270728.db2.gz XGLPIMABKYEARQ-UHFFFAOYSA-N 0 0 323.368 0.916 10 0 DCAERN CC(CO)(CO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000183501959 396270740 /nfs/dbraw/zinc/27/07/40/396270740.db2.gz GRDZWXUXKLMUMT-UHFFFAOYSA-N 0 0 309.753 0.999 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCC(C)(C)C(N)=O ZINC000183501298 396271059 /nfs/dbraw/zinc/27/10/59/396271059.db2.gz VCLYGMSZMLGKLA-UHFFFAOYSA-N 0 0 309.414 0.780 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000183580029 396271970 /nfs/dbraw/zinc/27/19/70/396271970.db2.gz ZPMXRBHCLCPAIE-NSHDSACASA-N 0 0 303.366 0.487 10 0 DCAERN C[C@@H](O)CCNC(=O)Cn1cc(Br)ccc1=O ZINC000080049939 396274260 /nfs/dbraw/zinc/27/42/60/396274260.db2.gz KXGZVHWWKYNNJO-MRVPVSSYSA-N 0 0 303.156 0.498 10 0 DCAERN COC(=O)c1coc(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000183772302 396274890 /nfs/dbraw/zinc/27/48/90/396274890.db2.gz VFXGQKKPADIUPR-UHFFFAOYSA-N 0 0 310.350 0.907 10 0 DCAERN C[C@H]1CN(C(=O)CN2c3ccccc3CCC2=O)CC(=O)N1C ZINC000282304097 396279043 /nfs/dbraw/zinc/27/90/43/396279043.db2.gz IKIIAWXOLLDRRN-LBPRGKRZSA-N 0 0 315.373 0.655 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000183988300 396279990 /nfs/dbraw/zinc/27/99/90/396279990.db2.gz DPFRXLCVVGFUFM-UFBFGSQYSA-N 0 0 307.325 0.991 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1 ZINC000077139214 396213117 /nfs/dbraw/zinc/21/31/17/396213117.db2.gz HTBYBNOALGHVSQ-GHMZBOCLSA-N 0 0 312.391 0.844 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H]2CCOC2(C)C)C1 ZINC000263430788 396216681 /nfs/dbraw/zinc/21/66/81/396216681.db2.gz YVBIFBKULWIQDY-MCIGGMRASA-N 0 0 313.398 0.791 10 0 DCAERN Cc1nc(C(=O)NCC(=O)Nc2ccccc2)c(=O)[nH]c1C ZINC000179147759 396222792 /nfs/dbraw/zinc/22/27/92/396222792.db2.gz IYEVXHZJRRTGNX-UHFFFAOYSA-N 0 0 300.318 0.755 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000179397915 396226741 /nfs/dbraw/zinc/22/67/41/396226741.db2.gz VIKXZDHRCNGBCF-STQMWFEESA-N 0 0 314.430 0.129 10 0 DCAERN O=C(CNC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000179766215 396229158 /nfs/dbraw/zinc/22/91/58/396229158.db2.gz JJABHQSSNYEKGQ-UHFFFAOYSA-N 0 0 321.381 0.158 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000180261432 396232026 /nfs/dbraw/zinc/23/20/26/396232026.db2.gz KDNUPMRXAPQBFG-UHFFFAOYSA-N 0 0 314.345 0.701 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000077782790 396232906 /nfs/dbraw/zinc/23/29/06/396232906.db2.gz MKBIJDJJJRWMQZ-QWHCGFSZSA-N 0 0 307.394 0.961 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000184954197 396311679 /nfs/dbraw/zinc/31/16/79/396311679.db2.gz IBDANXWVDRXANA-CQSZACIVSA-N 0 0 320.455 0.539 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000185008623 396314062 /nfs/dbraw/zinc/31/40/62/396314062.db2.gz BTBUQGWOGKJSHH-JTQLQIEISA-N 0 0 310.379 0.694 10 0 DCAERN CNC(=O)CC(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000185125209 396318506 /nfs/dbraw/zinc/31/85/06/396318506.db2.gz OLZGICLGGIXVFG-UHFFFAOYSA-N 0 0 305.378 0.618 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCO[C@@]4(CCOC4)C3)nc12 ZINC000185148564 396319259 /nfs/dbraw/zinc/31/92/59/396319259.db2.gz HATKHFQJBJOKMC-KRWDZBQOSA-N 0 0 315.373 0.994 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2ccc(F)cc2C(=O)OC)CCO1 ZINC000184084679 396284510 /nfs/dbraw/zinc/28/45/10/396284510.db2.gz NFBQUWAFBYDFGK-CYBMUJFWSA-N 0 0 310.325 0.559 10 0 DCAERN Cc1cccc(S(=O)(=O)CCCN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184290184 396289061 /nfs/dbraw/zinc/28/90/61/396289061.db2.gz KPXLMISWBBYMAZ-KGLIPLIRSA-N 0 0 313.419 0.586 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000184409185 396294379 /nfs/dbraw/zinc/29/43/79/396294379.db2.gz WJZDFQMIKDCUOS-CMPLNLGQSA-N 0 0 304.412 0.532 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](CO)CC(C)C)co1 ZINC000184553593 396298631 /nfs/dbraw/zinc/29/86/31/396298631.db2.gz QTZNJPKGANLGPW-LLVKDONJSA-N 0 0 318.395 0.667 10 0 DCAERN CC(C)C[C@H](CO)N(C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000184627933 396300422 /nfs/dbraw/zinc/30/04/22/396300422.db2.gz OQMHQMYULSJISL-CYBMUJFWSA-N 0 0 320.455 0.523 10 0 DCAERN C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@H](O)C[C@@H]1CO ZINC000184727747 396304080 /nfs/dbraw/zinc/30/40/80/396304080.db2.gz MVEDNHIRKIZWLY-JHJVBQTASA-N 0 0 315.373 0.989 10 0 DCAERN COc1ccc(CNC(=O)CN2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185175300 396320557 /nfs/dbraw/zinc/32/05/57/396320557.db2.gz QKXIMRWHZSOQOE-KRWDZBQOSA-N 0 0 320.389 0.803 10 0 DCAERN CN(C(=O)CN1C[C@@H](O)C[C@@H]1CO)c1nc2ccccc2s1 ZINC000185161879 396320582 /nfs/dbraw/zinc/32/05/82/396320582.db2.gz QHEKCJAHUXQFEC-MNOVXSKESA-N 0 0 321.402 0.687 10 0 DCAERN Cc1nc(C(=O)NCCS(N)(=O)=O)c(-c2ccccc2)o1 ZINC000185226829 396322376 /nfs/dbraw/zinc/32/23/76/396322376.db2.gz JFEODDRMYLBXIO-UHFFFAOYSA-N 0 0 309.347 0.668 10 0 DCAERN O=c1cc(CN2CCO[C@]3(CCOC3)C2)nc2sccn21 ZINC000185221929 396322386 /nfs/dbraw/zinc/32/23/86/396322386.db2.gz QINOXKPGMMUNGT-CQSZACIVSA-N 0 0 307.375 0.747 10 0 DCAERN CC(C)[C@H]1C[C@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000185342134 396325181 /nfs/dbraw/zinc/32/51/81/396325181.db2.gz PBZLEMPHDZONMC-VXGBXAGGSA-N 0 0 320.480 0.773 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)OC ZINC000185528746 396330131 /nfs/dbraw/zinc/33/01/31/396330131.db2.gz BURKAUJZCLZQAH-CYBMUJFWSA-N 0 0 306.362 0.579 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2ncc(C)s2)C1 ZINC000185605197 396331416 /nfs/dbraw/zinc/33/14/16/396331416.db2.gz IIVZNUZKACNQIQ-SECBINFHSA-N 0 0 312.395 0.669 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(OCC(F)(F)F)nc1 ZINC000185742341 396333865 /nfs/dbraw/zinc/33/38/65/396333865.db2.gz LCSHNXKFOBXEIB-UHFFFAOYSA-N 0 0 305.256 0.775 10 0 DCAERN C[C@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265708561 396338281 /nfs/dbraw/zinc/33/82/81/396338281.db2.gz VBYLUFUUFGEOFS-MNOVXSKESA-N 0 0 300.384 0.100 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000185983588 396338458 /nfs/dbraw/zinc/33/84/58/396338458.db2.gz GVQHHHUKNVFRAK-CYBMUJFWSA-N 0 0 322.390 0.555 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000265671838 396335745 /nfs/dbraw/zinc/33/57/45/396335745.db2.gz WUXLMAFTYRGKPX-SNVBAGLBSA-N 0 0 319.404 0.503 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000186196695 396344616 /nfs/dbraw/zinc/34/46/16/396344616.db2.gz LBTHKKLOOMELEM-GFCCVEGCSA-N 0 0 315.373 0.552 10 0 DCAERN CCCC(O)(CCC)CC(=O)N1CC(NC(=O)COC)C1 ZINC000186314454 396347363 /nfs/dbraw/zinc/34/73/63/396347363.db2.gz NBSQXCYTFVAXAO-UHFFFAOYSA-N 0 0 300.399 0.681 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(N)cc3)CCO2)[nH]1 ZINC000186094966 396341095 /nfs/dbraw/zinc/34/10/95/396341095.db2.gz DXSFAUBDJKYRDB-GFCCVEGCSA-N 0 0 323.378 0.458 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000186327020 396347920 /nfs/dbraw/zinc/34/79/20/396347920.db2.gz OJWIRYYYXNSAHE-OAHLLOKOSA-N 0 0 304.350 0.989 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000186677356 396355261 /nfs/dbraw/zinc/35/52/61/396355261.db2.gz SKAVXOHPSWZNQG-ZYHUDNBSSA-N 0 0 306.366 0.776 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2Cc3ccccc3C2)C1 ZINC000186676523 396355631 /nfs/dbraw/zinc/35/56/31/396355631.db2.gz LVDPAFZORIESRD-CYBMUJFWSA-N 0 0 323.418 0.487 10 0 DCAERN Cc1cc(N2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000187267527 396365653 /nfs/dbraw/zinc/36/56/53/396365653.db2.gz BOTBZLMYZQYBFM-KBPBESRZSA-N 0 0 321.425 0.476 10 0 DCAERN CCN(C)C(=O)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000187268850 396366313 /nfs/dbraw/zinc/36/63/13/396366313.db2.gz MBJCCUYHDKMCGH-UHFFFAOYSA-N 0 0 322.756 0.524 10 0 DCAERN COC(=O)C1(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000187323169 396367018 /nfs/dbraw/zinc/36/70/18/396367018.db2.gz TXCQAGQLLGOKOE-NSHDSACASA-N 0 0 310.272 0.648 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000187327224 396367282 /nfs/dbraw/zinc/36/72/82/396367282.db2.gz NRJLTXLRLSRCDL-CYBMUJFWSA-N 0 0 303.362 0.743 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186430447 396350042 /nfs/dbraw/zinc/35/00/42/396350042.db2.gz FTWNTUMYTSFZRC-JTQLQIEISA-N 0 0 324.327 0.911 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)NC[C@H](C)N1CCOCC1 ZINC000188466678 396382284 /nfs/dbraw/zinc/38/22/84/396382284.db2.gz HOKHZHUGBKUYDU-ZDUSSCGKSA-N 0 0 322.453 0.924 10 0 DCAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCN2CCC1CC2 ZINC000188629949 396383772 /nfs/dbraw/zinc/38/37/72/396383772.db2.gz UKPMJGCLVXROSF-LBPRGKRZSA-N 0 0 318.464 0.213 10 0 DCAERN COc1ccc(OC)c(CC(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188861960 396387735 /nfs/dbraw/zinc/38/77/35/396387735.db2.gz UXYISBLUOWGOEN-LLVKDONJSA-N 0 0 306.362 0.983 10 0 DCAERN Cc1sc(=O)n(CCC(=O)N2CCCNC(=O)[C@H]2C)c1C ZINC000188887504 396387989 /nfs/dbraw/zinc/38/79/89/396387989.db2.gz PLRJYGXKEJHQSH-SNVBAGLBSA-N 0 0 311.407 0.654 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1=O ZINC000189054133 396390301 /nfs/dbraw/zinc/39/03/01/396390301.db2.gz WWWBHNSGCVOMDD-LBPRGKRZSA-N 0 0 320.393 0.537 10 0 DCAERN CCN1C[C@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)CC1=O ZINC000189705301 396397462 /nfs/dbraw/zinc/39/74/62/396397462.db2.gz MOERFZRACKBTCT-GFCCVEGCSA-N 0 0 305.382 0.235 10 0 DCAERN Cc1cc(N2CCN(C(=O)CSc3nncn3C)CC2)n[nH]1 ZINC000189745123 396398083 /nfs/dbraw/zinc/39/80/83/396398083.db2.gz SYYVWNNMGIBGKP-UHFFFAOYSA-N 0 0 321.410 0.288 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189744173 396398372 /nfs/dbraw/zinc/39/83/72/396398372.db2.gz FZYCEORLUKOSTG-LBPRGKRZSA-N 0 0 323.422 0.288 10 0 DCAERN COc1ccc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)nn1 ZINC000189771895 396399072 /nfs/dbraw/zinc/39/90/72/396399072.db2.gz JWUMWUMRFOQIJM-UHFFFAOYSA-N 0 0 302.338 0.479 10 0 DCAERN CN1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC1=O ZINC000189785861 396399377 /nfs/dbraw/zinc/39/93/77/396399377.db2.gz GFHREDDNZXFYIX-UHFFFAOYSA-N 0 0 303.362 0.558 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCCN(C)C(=O)C1 ZINC000189800183 396399416 /nfs/dbraw/zinc/39/94/16/396399416.db2.gz BNFDXQOZCAJEQO-SNVBAGLBSA-N 0 0 309.391 0.557 10 0 DCAERN Cc1cc(N2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)n[nH]1 ZINC000189895551 396400432 /nfs/dbraw/zinc/40/04/32/396400432.db2.gz PHRBGMFLYMYERC-GFCCVEGCSA-N 0 0 320.397 0.171 10 0 DCAERN CC[C@H](C)NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000189952979 396400662 /nfs/dbraw/zinc/40/06/62/396400662.db2.gz VPTUMNFYLBINIC-CMPLNLGQSA-N 0 0 314.411 0.700 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)Cc2cnc3ccccc3c2)n1 ZINC000189923249 396400674 /nfs/dbraw/zinc/40/06/74/396400674.db2.gz NWNCXCUEXMXFIM-UHFFFAOYSA-N 0 0 324.344 0.754 10 0 DCAERN CN(C)C(=O)CNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189991109 396401339 /nfs/dbraw/zinc/40/13/39/396401339.db2.gz NPBXASSJGRAGJB-UHFFFAOYSA-N 0 0 311.411 0.817 10 0 DCAERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCc1cccnc1-n1cncn1 ZINC000190188403 396402942 /nfs/dbraw/zinc/40/29/42/396402942.db2.gz LWTJHLQTVAHTOT-RYUDHWBXSA-N 0 0 316.365 0.621 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCN(c3ncccn3)CC2)[C@H]1CO ZINC000190244880 396403424 /nfs/dbraw/zinc/40/34/24/396403424.db2.gz IRBXIXWZWJZHTQ-OCCSQVGLSA-N 0 0 319.409 0.858 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N2CCCN(C)C(=O)C2)c1CC ZINC000190369212 396405750 /nfs/dbraw/zinc/40/57/50/396405750.db2.gz ZSROGMXXIPNPLR-UHFFFAOYSA-N 0 0 306.366 0.199 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC(NC(C)=O)C1)C2 ZINC000190529214 396407932 /nfs/dbraw/zinc/40/79/32/396407932.db2.gz CKKAYUBAGZXRFW-LBPRGKRZSA-N 0 0 304.346 0.593 10 0 DCAERN CCN1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1=O ZINC000190586895 396408048 /nfs/dbraw/zinc/40/80/48/396408048.db2.gz XBSRZJAJPOJTEQ-OAHLLOKOSA-N 0 0 317.389 0.536 10 0 DCAERN CN(CC1CC(O)C1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000190603168 396408960 /nfs/dbraw/zinc/40/89/60/396408960.db2.gz PUHLHEOKKVRVFR-JVWICGRDSA-N 0 0 321.425 0.801 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccccc1N(C)C ZINC000190668653 396409805 /nfs/dbraw/zinc/40/98/05/396409805.db2.gz NUIDBCBTYBKQBT-LLVKDONJSA-N 0 0 318.377 0.428 10 0 DCAERN COCCN1CCCN(CC(=O)Nc2cccc(F)c2)CC1=O ZINC000190763696 396411295 /nfs/dbraw/zinc/41/12/95/396411295.db2.gz OLFRJCQKWYVELR-UHFFFAOYSA-N 0 0 323.368 0.945 10 0 DCAERN COCCN1CCCN([C@@H](C)c2nc(COC)no2)CC1=O ZINC000190796166 396411988 /nfs/dbraw/zinc/41/19/88/396411988.db2.gz YXQKRLKVPBGHLE-NSHDSACASA-N 0 0 312.370 0.458 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)[C@@H]1CCCc2c(O)cccc21 ZINC000190799981 396412055 /nfs/dbraw/zinc/41/20/55/396412055.db2.gz VZWOAYPPFFDCMB-CZUORRHYSA-N 0 0 315.417 0.928 10 0 DCAERN Cn1ccc(N2CCC[C@@H](N3CCCN(C)C(=O)C3)C2=O)n1 ZINC000191091464 396415220 /nfs/dbraw/zinc/41/52/20/396415220.db2.gz OJTWWRYIOFKBNX-GFCCVEGCSA-N 0 0 305.382 0.080 10 0 DCAERN CN(Cc1ccccc1F)C(=O)CN1CCCN(C)C(=O)C1 ZINC000191151580 396416208 /nfs/dbraw/zinc/41/62/08/396416208.db2.gz GGMSGJYGPYHSEH-UHFFFAOYSA-N 0 0 307.369 0.948 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CCS1 ZINC000287720144 396419085 /nfs/dbraw/zinc/41/90/85/396419085.db2.gz JYKAYLJRKYCALS-MNOVXSKESA-N 0 0 323.422 0.583 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000191575452 396421822 /nfs/dbraw/zinc/42/18/22/396421822.db2.gz NALFZMDOXCWRQC-NEPJUHHUSA-N 0 0 308.378 0.929 10 0 DCAERN Cc1nnc([C@@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)[nH]1 ZINC000192045623 396428488 /nfs/dbraw/zinc/42/84/88/396428488.db2.gz IXRJUZBCGAJFOO-RYUDHWBXSA-N 0 0 306.366 0.972 10 0 DCAERN CC[C@@H](CO)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000192677438 396434997 /nfs/dbraw/zinc/43/49/97/396434997.db2.gz SHHDNBQYUGGGHM-LBPRGKRZSA-N 0 0 318.381 0.228 10 0 DCAERN CC1(C)CN(C(=O)c2cnc(Cl)cn2)CCS1(=O)=O ZINC000192815159 396438126 /nfs/dbraw/zinc/43/81/26/396438126.db2.gz IOVGCCUMGKJKPC-UHFFFAOYSA-N 0 0 303.771 0.779 10 0 DCAERN Cc1nccc(N2CCN(Cc3nc(N(C)C)no3)CC2)n1 ZINC000192802095 396438152 /nfs/dbraw/zinc/43/81/52/396438152.db2.gz WCUORXBVISNDML-UHFFFAOYSA-N 0 0 303.370 0.556 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)NCCCN2CCCC2=O)c1 ZINC000192799777 396438337 /nfs/dbraw/zinc/43/83/37/396438337.db2.gz LTQROUTWHQMSTA-UHFFFAOYSA-N 0 0 318.377 0.766 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCCCN2CCCC2=O)C1 ZINC000192902456 396440291 /nfs/dbraw/zinc/44/02/91/396440291.db2.gz KVQRQVHYMIECRQ-ZDUSSCGKSA-N 0 0 310.398 0.309 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000188014230 396377681 /nfs/dbraw/zinc/37/76/81/396377681.db2.gz YFSLKHILNCBWRX-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000188077116 396378230 /nfs/dbraw/zinc/37/82/30/396378230.db2.gz SQDNEDREADCYJC-LBPRGKRZSA-N 0 0 313.361 0.682 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)CN2CC(=O)NC2=O)cs1 ZINC000188108036 396379081 /nfs/dbraw/zinc/37/90/81/396379081.db2.gz OUTYAHPJAHYHPW-SNVBAGLBSA-N 0 0 308.363 0.667 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000188263297 396380448 /nfs/dbraw/zinc/38/04/48/396380448.db2.gz JGUQDKLSHGJITI-HBNTYKKESA-N 0 0 302.346 0.927 10 0 DCAERN c1nnn(Cc2ccccc2)c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000515276651 396501233 /nfs/dbraw/zinc/50/12/33/396501233.db2.gz MSZKTTHWHKOVSB-IYBDPMFKSA-N 0 0 300.362 0.926 10 0 DCAERN O=C(CNC(=O)NCC[C@H]1C(=O)Nc2ccccc21)NC1CC1 ZINC000193249608 396447025 /nfs/dbraw/zinc/44/70/25/396447025.db2.gz XUCRMTJMLZTNFQ-GFCCVEGCSA-N 0 0 316.361 0.690 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193283729 396448394 /nfs/dbraw/zinc/44/83/94/396448394.db2.gz XSBNGPUGYQDUFP-SNVBAGLBSA-N 0 0 312.757 0.120 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000288900330 396448939 /nfs/dbraw/zinc/44/89/39/396448939.db2.gz JJNFHCLOBKZPHQ-UHFFFAOYSA-N 0 0 323.374 0.020 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2cccc(C)n2)cn1 ZINC000193445609 396451115 /nfs/dbraw/zinc/45/11/15/396451115.db2.gz XBXNPCMRHLNLGW-UHFFFAOYSA-N 0 0 302.338 0.654 10 0 DCAERN Cn1nnc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000193494088 396452620 /nfs/dbraw/zinc/45/26/20/396452620.db2.gz WQFMLCIJCIIYMR-FZMZJTMJSA-N 0 0 320.784 0.925 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000289180847 396456036 /nfs/dbraw/zinc/45/60/36/396456036.db2.gz VWJNSXLAXVPAAT-DTWKUNHWSA-N 0 0 300.380 0.990 10 0 DCAERN C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cn[nH]c1 ZINC000270176227 396462424 /nfs/dbraw/zinc/46/24/24/396462424.db2.gz CDVMVRLZBVCOPM-DGCLKSJQSA-N 0 0 321.381 0.504 10 0 DCAERN O=C(NCc1ccco1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000371824285 396477967 /nfs/dbraw/zinc/47/79/67/396477967.db2.gz KCEDUAWDOSZZQQ-ZDUSSCGKSA-N 0 0 307.350 0.859 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N[C@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1=O ZINC000371861863 396478989 /nfs/dbraw/zinc/47/89/89/396478989.db2.gz YGFUIAHJPDCYSC-XQHKEYJVSA-N 0 0 322.409 0.304 10 0 DCAERN O=C(c1ccc2nsnc2c1)N1CCN2CCOC[C@@H]2C1 ZINC000371871395 396479411 /nfs/dbraw/zinc/47/94/11/396479411.db2.gz ZRHGSJMVNFFXHJ-NSHDSACASA-N 0 0 304.375 0.848 10 0 DCAERN CN(Cc1nnc2n1CCCCC2)C(=O)COc1cnn(C)c1 ZINC000581023578 396519962 /nfs/dbraw/zinc/51/99/62/396519962.db2.gz LSCJOSOPEQVPOU-UHFFFAOYSA-N 0 0 318.381 0.775 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC/C=C\CO ZINC000594820183 396521713 /nfs/dbraw/zinc/52/17/13/396521713.db2.gz UCOVCMOIOAZHAZ-PLNGDYQASA-N 0 0 303.336 0.510 10 0 DCAERN C[C@@H](NC(=O)C(=O)N1CCN(C2CC2)CC1)C1CCOCC1 ZINC000581090880 396525957 /nfs/dbraw/zinc/52/59/57/396525957.db2.gz GYCLCEILOSPRFD-GFCCVEGCSA-N 0 0 309.410 0.224 10 0 DCAERN O=C(NCCOCC1CCC1)N1CCCS(=O)(=O)CC1 ZINC000519851067 396527438 /nfs/dbraw/zinc/52/74/38/396527438.db2.gz CSCIBUJMHXJOTH-UHFFFAOYSA-N 0 0 304.412 0.633 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000372658746 396535226 /nfs/dbraw/zinc/53/52/26/396535226.db2.gz BDENMVKMDNEIOF-CHWSQXEVSA-N 0 0 323.422 0.438 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCOCC2)no1 ZINC000581507744 396560877 /nfs/dbraw/zinc/56/08/77/396560877.db2.gz MSCUZWJYIYVYJA-NEPJUHHUSA-N 0 0 322.365 0.727 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000373129664 396568836 /nfs/dbraw/zinc/56/88/36/396568836.db2.gz ZRABPFMXWGRIIZ-AVGNSLFASA-N 0 0 317.455 0.545 10 0 DCAERN NC(=O)[C@@]1(O)CCN(Cc2cccc(Br)n2)C1 ZINC000292883591 396574845 /nfs/dbraw/zinc/57/48/45/396574845.db2.gz PVPMWVOVKLTCOV-LLVKDONJSA-N 0 0 300.156 0.266 10 0 DCAERN CC(=O)c1cc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)on1 ZINC000581675360 396575086 /nfs/dbraw/zinc/57/50/86/396575086.db2.gz PNVUJYLIBUWGFD-LBPRGKRZSA-N 0 0 315.395 0.733 10 0 DCAERN O=C(Cn1cnc2c(c1=O)CCC2)N1CCOC[C@@H]1C1CC1 ZINC000373230401 396575707 /nfs/dbraw/zinc/57/57/07/396575707.db2.gz QEYVHJDFOLACTO-CQSZACIVSA-N 0 0 303.362 0.369 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1(OC)CCCC1 ZINC000581919988 396592950 /nfs/dbraw/zinc/59/29/50/396592950.db2.gz XZAYEGJNFXDCGD-MNOVXSKESA-N 0 0 314.382 0.518 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CCn2ncn(C)c2=O)c1 ZINC000293339292 396601314 /nfs/dbraw/zinc/60/13/14/396601314.db2.gz WPPVJBYZFMIFLQ-UHFFFAOYSA-N 0 0 317.349 0.593 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000373987051 396629510 /nfs/dbraw/zinc/62/95/10/396629510.db2.gz WRFJSSGWAWYDLH-CQSZACIVSA-N 0 0 309.410 0.810 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000293816212 396634503 /nfs/dbraw/zinc/63/45/03/396634503.db2.gz DXXZUKKYKVNFRQ-SLEUVZQESA-N 0 0 304.346 0.091 10 0 DCAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)CN2CCOCC2=O)C1 ZINC000374101343 396638979 /nfs/dbraw/zinc/63/89/79/396638979.db2.gz YFTDYSNPPRMLIQ-QPSCCSFWSA-N 0 0 324.421 0.633 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC[C@H](CO)[C@H](O)C1 ZINC000562417930 396663072 /nfs/dbraw/zinc/66/30/72/396663072.db2.gz UUIPNIWNRARUQS-UKRRQHHQSA-N 0 0 316.361 0.147 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CCO1 ZINC000374436696 396664304 /nfs/dbraw/zinc/66/43/04/396664304.db2.gz LFDOVVADLKDWKH-MNOVXSKESA-N 0 0 308.338 0.371 10 0 DCAERN CCCCOCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000587119233 396670531 /nfs/dbraw/zinc/67/05/31/396670531.db2.gz VZRKYIAVYGHABJ-UHFFFAOYSA-N 0 0 321.443 0.528 10 0 DCAERN CCOCCCNC(=O)NCCCN1CCCS1(=O)=O ZINC000587125418 396671263 /nfs/dbraw/zinc/67/12/63/396671263.db2.gz WXYFDLNRFSDZRP-UHFFFAOYSA-N 0 0 307.416 0.138 10 0 DCAERN O=C(CN1CCOCC1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374807383 396689035 /nfs/dbraw/zinc/68/90/35/396689035.db2.gz KHYDDEKMRDISJE-HIFRSBDPSA-N 0 0 312.410 0.003 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)NCc1cn2c(n1)CCCC2 ZINC000588888960 396697663 /nfs/dbraw/zinc/69/76/63/396697663.db2.gz SPEIVMFOVJOTAR-UHFFFAOYSA-N 0 0 319.365 0.168 10 0 DCAERN O=C(c1cc(-c2ccncc2)on1)N1CCN2CCOC[C@@H]2C1 ZINC000374930445 396698636 /nfs/dbraw/zinc/69/86/36/396698636.db2.gz MVOZYKRWLJCFPX-ZDUSSCGKSA-N 0 0 314.345 0.893 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374926419 396698931 /nfs/dbraw/zinc/69/89/31/396698931.db2.gz KGTNSOPCWLLZGZ-JTQLQIEISA-N 0 0 312.801 0.793 10 0 DCAERN O=C(c1cn(-c2ccccc2)nn1)N1CCN2CCOC[C@@H]2C1 ZINC000374966227 396701526 /nfs/dbraw/zinc/70/15/26/396701526.db2.gz WDUNNMGXYNRJIY-AWEZNQCLSA-N 0 0 313.361 0.424 10 0 DCAERN CCCc1noc(CCCC(=O)N2CCN3CCOC[C@@H]3C2)n1 ZINC000374961281 396701569 /nfs/dbraw/zinc/70/15/69/396701569.db2.gz IAJNVNBGQLXDKX-ZDUSSCGKSA-N 0 0 322.409 0.888 10 0 DCAERN Cn1c2cccc(C(=O)N3CCN4CCOC[C@@H]4C3)c2oc1=O ZINC000374960249 396701603 /nfs/dbraw/zinc/70/16/03/396701603.db2.gz FNPJFQFXTAVSBB-NSHDSACASA-N 0 0 317.345 0.288 10 0 DCAERN CN(Cc1nnc(C2CC2)n1C)[C@H]1CCN([C@H]2CCOC2=O)C1 ZINC000299754318 396714402 /nfs/dbraw/zinc/71/44/02/396714402.db2.gz RPRZQOAHHLTUMO-STQMWFEESA-N 0 0 319.409 0.514 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCC([C@H](C)O)CC1 ZINC000300260126 396715216 /nfs/dbraw/zinc/71/52/16/396715216.db2.gz LKFRQADYPXTXFG-CYZMBNFOSA-N 0 0 319.423 0.751 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2sc(C)nc2C)C1 ZINC000375237483 396720295 /nfs/dbraw/zinc/72/02/95/396720295.db2.gz DOUNBFLVPQPOIZ-VHSXEESVSA-N 0 0 306.409 0.530 10 0 DCAERN C[C@@H](OCc1ccccc1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000303092374 396725126 /nfs/dbraw/zinc/72/51/26/396725126.db2.gz XPYOUQWJEDFCDC-BZNIZROVSA-N 0 0 317.345 0.402 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000375613377 396781187 /nfs/dbraw/zinc/78/11/87/396781187.db2.gz NTTMLZHLHWRREI-ZJUUUORDSA-N 0 0 318.361 0.702 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(c2nc([C@@H](C)OC)ns2)C1 ZINC000375699143 396799175 /nfs/dbraw/zinc/79/91/75/396799175.db2.gz WRWRYNIZGWCTLE-RKDXNWHRSA-N 0 0 320.440 0.764 10 0 DCAERN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000610662383 396745118 /nfs/dbraw/zinc/74/51/18/396745118.db2.gz FRVHMTAJLBYDEH-NXEZZACHSA-N 0 0 306.370 0.376 10 0 DCAERN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000610662384 396745243 /nfs/dbraw/zinc/74/52/43/396745243.db2.gz FRVHMTAJLBYDEH-UWVGGRQHSA-N 0 0 306.370 0.376 10 0 DCAERN Cc1oc(C(=O)NCCOC(C)(C)C)cc1S(N)(=O)=O ZINC000308568224 396756741 /nfs/dbraw/zinc/75/67/41/396756741.db2.gz BMVMKJUYCAMWAX-UHFFFAOYSA-N 0 0 304.368 0.780 10 0 DCAERN CC(=O)N1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000625050785 396758645 /nfs/dbraw/zinc/75/86/45/396758645.db2.gz WQMKMZRRUAXMLL-AWEZNQCLSA-N 0 0 322.409 0.404 10 0 DCAERN CO[C@@]1(C(=O)NCc2c(Br)cnn2C)CCOC1 ZINC000633978079 396761433 /nfs/dbraw/zinc/76/14/33/396761433.db2.gz HJUYLGVPWBPKHX-NSHDSACASA-N 0 0 318.171 0.604 10 0 DCAERN C[C@H]1NC(=O)N(C[C@@H]2CN(Cc3ccncc3)CCO2)C1=O ZINC000629501542 396772169 /nfs/dbraw/zinc/77/21/69/396772169.db2.gz BFYUYXRDENGQBE-YPMHNXCESA-N 0 0 304.350 0.223 10 0 DCAERN NC(=O)c1noc([C@@H]2CCCN2Cc2ccc(CO)cc2)n1 ZINC000328625363 396825424 /nfs/dbraw/zinc/82/54/24/396825424.db2.gz DBDNBHDEGKGKHF-LBPRGKRZSA-N 0 0 302.334 0.998 10 0 DCAERN CCOc1cc(N2CC(N3CCn4c(C)nnc4C3)C2)ncn1 ZINC000328631391 396826121 /nfs/dbraw/zinc/82/61/21/396826121.db2.gz KMPOUPJLHUWQMX-UHFFFAOYSA-N 0 0 315.381 0.480 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000328644086 396828074 /nfs/dbraw/zinc/82/80/74/396828074.db2.gz RQKWOMTUODWBCJ-MELADBBJSA-N 0 0 304.394 0.934 10 0 DCAERN CO[C@@H]1CN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1c1cn[nH]n1 ZINC000625279140 396828564 /nfs/dbraw/zinc/82/85/64/396828564.db2.gz DMIZDJPMRPRFHS-SRRSOLGSSA-N 0 0 309.370 0.448 10 0 DCAERN C[S@@](=O)c1cccc(NC(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000611195433 396832421 /nfs/dbraw/zinc/83/24/21/396832421.db2.gz CEFPKGNHTVTHDS-LADRHHBVSA-N 0 0 310.379 0.699 10 0 DCAERN O=C(CN1CCOCC1=O)NC1CC(OCc2ccccc2)C1 ZINC000375930423 396846706 /nfs/dbraw/zinc/84/67/06/396846706.db2.gz ZJFDJEWMOSGZIN-UHFFFAOYSA-N 0 0 318.373 0.709 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCCC[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000329847592 396850462 /nfs/dbraw/zinc/85/04/62/396850462.db2.gz MVXPPTNNAHZQPB-RWMBFGLXSA-N 0 0 318.439 0.684 10 0 DCAERN O=C(CN1CCOCC1=O)N(C[C@H]1CCCO1)c1ccncc1 ZINC000564705804 396858103 /nfs/dbraw/zinc/85/81/03/396858103.db2.gz BNUQJUZCVQBNBO-CQSZACIVSA-N 0 0 319.361 0.452 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC000611010967 396803693 /nfs/dbraw/zinc/80/36/93/396803693.db2.gz WZODULIJGJRTPN-NEPJUHHUSA-N 0 0 306.366 0.561 10 0 DCAERN O=C(Nc1cccc2c1OCCC2)C(=O)NC1(CO)CCC1 ZINC000375730807 396807783 /nfs/dbraw/zinc/80/77/83/396807783.db2.gz MDQTUPYPMSIBBA-UHFFFAOYSA-N 0 0 304.346 0.981 10 0 DCAERN CO[C@@H]1C[C@H](NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1(C)C ZINC000332751351 396891345 /nfs/dbraw/zinc/89/13/45/396891345.db2.gz CEEXINUMSGAFOJ-YIYPIFLZSA-N 0 0 311.426 0.914 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000332754243 396891956 /nfs/dbraw/zinc/89/19/56/396891956.db2.gz JBRBDHUBOATCLV-GMXABZIVSA-N 0 0 322.409 0.354 10 0 DCAERN CC[C@H]1CO[C@@H](C)CN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332838508 396896751 /nfs/dbraw/zinc/89/67/51/396896751.db2.gz GPYLWMQNURKQLB-ZDEQEGDKSA-N 0 0 309.370 0.427 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(S(=O)(=O)C2(C)CC2)C1 ZINC000333035799 396916321 /nfs/dbraw/zinc/91/63/21/396916321.db2.gz DCAYSSNBCNLVFL-RYUDHWBXSA-N 0 0 316.423 0.580 10 0 DCAERN O=S(=O)(N[C@@H]1CCOC[C@@H]1O)c1ccc(F)c(F)c1F ZINC000625593399 396939763 /nfs/dbraw/zinc/93/97/63/396939763.db2.gz AIEOAQMWMSDJHW-SFYZADRCSA-N 0 0 311.281 0.532 10 0 DCAERN CN(C)[C@@H](CNC(=O)N1CC[C@H](CC(N)=O)C1)c1ccco1 ZINC000376801022 396980501 /nfs/dbraw/zinc/98/05/01/396980501.db2.gz OMXVOUAFPVYNJR-NEPJUHHUSA-N 0 0 308.382 0.789 10 0 DCAERN Cn1cc([C@H](NCCCC(=O)NC(N)=O)C(F)(F)F)cn1 ZINC000618557510 396993770 /nfs/dbraw/zinc/99/37/70/396993770.db2.gz RIGHPOGRSKFDCV-VIFPVBQESA-N 0 0 307.276 0.588 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000618665762 397006995 /nfs/dbraw/zinc/00/69/95/397006995.db2.gz DPDPFFYBPYMLPC-MNOVXSKESA-N 0 0 322.365 0.968 10 0 DCAERN C[C@@H]1CN(C(=O)COC2CCCC2)CCN1S(C)(=O)=O ZINC000618679219 397011460 /nfs/dbraw/zinc/01/14/60/397011460.db2.gz DBBAOOUHCJGHAL-LLVKDONJSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3nccn3c2)CCN1S(C)(=O)=O ZINC000618678739 397011775 /nfs/dbraw/zinc/01/17/75/397011775.db2.gz LFUANRJIOBAOQX-LLVKDONJSA-N 0 0 322.390 0.440 10 0 DCAERN O[C@@H]1CCOC[C@H]1Nc1ncc(I)cn1 ZINC000601252174 397031068 /nfs/dbraw/zinc/03/10/68/397031068.db2.gz GRAQOJNOVVZHSH-HTQZYQBOSA-N 0 0 321.118 0.643 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@H](C)O1 ZINC000630496682 397032299 /nfs/dbraw/zinc/03/22/99/397032299.db2.gz SPWOJAMBTIHMLV-KHQFGBGNSA-N 0 0 318.420 0.825 10 0 DCAERN O=C(NCC[C@@H]1COc2ccccc2O1)NCC1(CO)COC1 ZINC000572200496 397033711 /nfs/dbraw/zinc/03/37/11/397033711.db2.gz IUXPEQDACRSJMQ-GFCCVEGCSA-N 0 0 322.361 0.525 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCC1 ZINC000592033142 397073208 /nfs/dbraw/zinc/07/32/08/397073208.db2.gz BOILHBNKPFSITA-VIFPVBQESA-N 0 0 307.316 0.656 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630571263 397048736 /nfs/dbraw/zinc/04/87/36/397048736.db2.gz LGBKOLMTAGZKPA-GJZGRUSLSA-N 0 0 319.405 0.769 10 0 DCAERN c1c([C@H]2COCCN2)nnn1C[C@@H]1COc2ccccc2O1 ZINC000630604379 397059437 /nfs/dbraw/zinc/05/94/37/397059437.db2.gz VZSJHRPWGFFOQG-DGCLKSJQSA-N 0 0 302.334 0.779 10 0 DCAERN CC(C)(O)[C@H]1CCCN1C(=O)CC1(n2cnnn2)CCOCC1 ZINC000612731073 397129084 /nfs/dbraw/zinc/12/90/84/397129084.db2.gz NUGAUGHNNIYLHU-GFCCVEGCSA-N 0 0 323.397 0.331 10 0 DCAERN CC1(C)C[C@H](NC(=O)C(=O)N2CCN(C3CC3)CC2)C(C)(C)O1 ZINC000573156442 397139176 /nfs/dbraw/zinc/13/91/76/397139176.db2.gz GAFUMYLISFUGRZ-ZDUSSCGKSA-N 0 0 323.437 0.755 10 0 DCAERN CCc1n[nH]cc1C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000612809963 397140962 /nfs/dbraw/zinc/14/09/62/397140962.db2.gz UEXVPILBBTWNHC-VIFPVBQESA-N 0 0 318.337 0.437 10 0 DCAERN COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000619515746 397143961 /nfs/dbraw/zinc/14/39/61/397143961.db2.gz XOWDMBATXCQKJL-ONGXEEELSA-N 0 0 324.308 0.939 10 0 DCAERN c1c(CNCCNc2cnccn2)nnn1C[C@@H]1CCOC1 ZINC000631090671 397168190 /nfs/dbraw/zinc/16/81/90/397168190.db2.gz MCWKHLPFGLKMKH-LBPRGKRZSA-N 0 0 303.370 0.306 10 0 DCAERN NS(=O)(=O)c1ccccc1N1CCC[C@@H](n2cncn2)C1 ZINC000631107177 397171933 /nfs/dbraw/zinc/17/19/33/397171933.db2.gz IFDHQEBDYYTNKH-LLVKDONJSA-N 0 0 307.379 0.767 10 0 DCAERN CC(=O)N1CCOC[C@H]1C(=O)N(C)Cc1ncc(Cl)n1C ZINC000378499875 397247624 /nfs/dbraw/zinc/24/76/24/397247624.db2.gz SHZLMYNCRCZLFH-JTQLQIEISA-N 0 0 314.773 0.279 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@H]2C)N(S(C)(=O)=O)C1 ZINC000365135275 397247970 /nfs/dbraw/zinc/24/79/70/397247970.db2.gz SDCWLOIGLZBBDV-WISYIIOYSA-N 0 0 304.412 0.292 10 0 DCAERN CCNC(=O)CN(C)C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000619804271 397195900 /nfs/dbraw/zinc/19/59/00/397195900.db2.gz JSGONPWGTSHMKI-UHFFFAOYSA-N 0 0 322.365 0.640 10 0 DCAERN COC[C@@H]1CN(C(=O)C(=O)NC2CCC3(CC3)CC2)CCO1 ZINC000573712549 397198536 /nfs/dbraw/zinc/19/85/36/397198536.db2.gz GQHFEONQMUFEPA-ZDUSSCGKSA-N 0 0 310.394 0.699 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC000601819073 397249947 /nfs/dbraw/zinc/24/99/47/397249947.db2.gz UFHFONKWJCQRTQ-JVOXIWMLSA-N 0 0 315.391 0.698 10 0 DCAERN CNC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000378324906 397229511 /nfs/dbraw/zinc/22/95/11/397229511.db2.gz ZEOPYLAIOHCNBV-QMMMGPOBSA-N 0 0 311.367 0.002 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2cc(OC)ccc2F)CCO1 ZINC000364682102 397233598 /nfs/dbraw/zinc/23/35/98/397233598.db2.gz MVGWCLVSALZHIT-GFCCVEGCSA-N 0 0 311.313 0.813 10 0 DCAERN O=C(CN1CSCC1=O)N1CC[C@H](O)c2ccccc2C1 ZINC000378632860 397266347 /nfs/dbraw/zinc/26/63/47/397266347.db2.gz MUFMWYWHTWRHLQ-ZDUSSCGKSA-N 0 0 306.387 0.985 10 0 DCAERN CC1(C)OCC[C@H]1CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000620505871 397281053 /nfs/dbraw/zinc/28/10/53/397281053.db2.gz XWZYNLMZMOBFHK-VIFPVBQESA-N 0 0 318.420 0.940 10 0 DCAERN CN(Cc1cc[nH]n1)C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000400033891 397314320 /nfs/dbraw/zinc/31/43/20/397314320.db2.gz IMGCEJMMOIYITJ-NSHDSACASA-N 0 0 300.384 0.182 10 0 DCAERN O=C([C@@H]1COc2ccccc2O1)N1CCN(C2CC2)C(=O)C1 ZINC000407956177 397336311 /nfs/dbraw/zinc/33/63/11/397336311.db2.gz ISFGIMBJLAVUJS-AWEZNQCLSA-N 0 0 302.330 0.660 10 0 DCAERN Cn1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1=O ZINC000407961551 397338034 /nfs/dbraw/zinc/33/80/34/397338034.db2.gz HYFKERMZZCFYHI-BNOWGMLFSA-N 0 0 305.378 0.936 10 0 DCAERN CO[C@@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)c1ccc(O)cc1 ZINC000577528352 397339413 /nfs/dbraw/zinc/33/94/13/397339413.db2.gz FLIDKZCDUUYSKK-ZBFHGGJFSA-N 0 0 304.346 0.818 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)C1 ZINC000614108149 397384471 /nfs/dbraw/zinc/38/44/71/397384471.db2.gz UVVBUDUWTVNFEL-SOUVJXGZSA-N 0 0 311.401 0.890 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000407965940 397339681 /nfs/dbraw/zinc/33/96/81/397339681.db2.gz MJNJEEPSQSVWLL-ZIAGYGMSSA-N 0 0 323.418 0.522 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000407995329 397343585 /nfs/dbraw/zinc/34/35/85/397343585.db2.gz IKJFAKINTXITTE-LLVKDONJSA-N 0 0 311.407 0.971 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)C[C@H]3CCCO3)[C@@H]2C1 ZINC000407991180 397343603 /nfs/dbraw/zinc/34/36/03/397343603.db2.gz SROPWJKISQKPQC-SYQHCUMBSA-N 0 0 319.423 0.764 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)NC(=O)NC3CC3)[C@H]2C1 ZINC000407993786 397343635 /nfs/dbraw/zinc/34/36/35/397343635.db2.gz UGTNLACXQWLCTG-FRRDWIJNSA-N 0 0 311.382 0.243 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000408062197 397344688 /nfs/dbraw/zinc/34/46/88/397344688.db2.gz MCIHZBASFFZRME-HNRZYHPDSA-N 0 0 308.378 0.701 10 0 DCAERN CN1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC1=O ZINC000366169499 397346622 /nfs/dbraw/zinc/34/66/22/397346622.db2.gz MYQKNDLCYCAWTC-UHFFFAOYSA-N 0 0 317.345 0.251 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000408257967 397351080 /nfs/dbraw/zinc/35/10/80/397351080.db2.gz WUMWXXFILSLPPY-LPWJVIDDSA-N 0 0 316.423 0.847 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000408240903 397351419 /nfs/dbraw/zinc/35/14/19/397351419.db2.gz GOHYPCNFSXEAPK-AAEUAGOBSA-N 0 0 312.391 0.360 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408359878 397354658 /nfs/dbraw/zinc/35/46/58/397354658.db2.gz QJBGAIBZQNRCDO-CQSZACIVSA-N 0 0 318.439 0.687 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@@]3(C)CCCNC3=O)CC2)c1 ZINC000408369743 397354765 /nfs/dbraw/zinc/35/47/65/397354765.db2.gz BCSNEPMLUGDXOE-KRWDZBQOSA-N 0 0 316.405 0.955 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408353390 397354965 /nfs/dbraw/zinc/35/49/65/397354965.db2.gz AXQUJQWBIKWYQB-RWMBFGLXSA-N 0 0 322.427 0.078 10 0 DCAERN Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1C ZINC000578028235 397381174 /nfs/dbraw/zinc/38/11/74/397381174.db2.gz ULLPCHAWTNEMGF-UHFFFAOYSA-N 0 0 320.418 0.949 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620914172 397319473 /nfs/dbraw/zinc/31/94/73/397319473.db2.gz KTJBFMRICCJKQC-AWEZNQCLSA-N 0 0 311.426 0.567 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@H](c2ccccc2)[C@@H](C)O)nn1 ZINC000620981493 397329074 /nfs/dbraw/zinc/32/90/74/397329074.db2.gz GOLMLHWEWXMNMF-ABAIWWIYSA-N 0 0 302.334 0.719 10 0 DCAERN COC(=O)[C@H](CO)NC(=O)c1nscc1Br ZINC000404799289 397329532 /nfs/dbraw/zinc/32/95/32/397329532.db2.gz UQSTVMRATOJBKK-YFKPBYRVSA-N 0 0 309.141 0.169 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593657513 397420438 /nfs/dbraw/zinc/42/04/38/397420438.db2.gz NJTGFMIDICYHIB-ZKTNFTSUSA-N 0 0 313.400 0.783 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599460313 397447208 /nfs/dbraw/zinc/44/72/08/397447208.db2.gz VZKLNOXRFXNFTC-GMOBBJLQSA-N 0 0 308.400 0.128 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599460314 397447343 /nfs/dbraw/zinc/44/73/43/397447343.db2.gz VZKLNOXRFXNFTC-SVDPJWKOSA-N 0 0 308.400 0.128 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cc3c(cn2)OCCO3)[C@H](C)C1 ZINC000578128152 397394256 /nfs/dbraw/zinc/39/42/56/397394256.db2.gz MAKFOSTZTSIJNJ-SNVBAGLBSA-N 0 0 305.334 0.546 10 0 DCAERN CCS(=O)(=O)NCCN1CCCC[C@@H]1c1ccnn1C ZINC000366864978 397395224 /nfs/dbraw/zinc/39/52/24/397395224.db2.gz BGEJPIUGHOAFSI-CYBMUJFWSA-N 0 0 300.428 0.886 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000487124437 397466938 /nfs/dbraw/zinc/46/69/38/397466938.db2.gz RKEIJQLNEGILBN-VHSXEESVSA-N 0 0 324.381 0.719 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@H](C)COC[C@H]2C)nn1 ZINC000329627313 285800169 /nfs/dbraw/zinc/80/01/69/285800169.db2.gz GWXUKUUFDLRWAJ-FPQZTECRSA-N 0 0 310.354 0.114 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3C[C@@H]4C[C@H]3C[S@@]4=O)ccc21 ZINC000593866796 397461091 /nfs/dbraw/zinc/46/10/91/397461091.db2.gz ODYOOOUXSZQVEY-OKHZJLECSA-N 0 0 318.398 0.941 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCCCS(C)(=O)=O)[nH]n1 ZINC000487275991 397468535 /nfs/dbraw/zinc/46/85/35/397468535.db2.gz IEZPWSMGHXKQCC-SECBINFHSA-N 0 0 302.400 0.383 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC000488305603 397489315 /nfs/dbraw/zinc/48/93/15/397489315.db2.gz FHNKYTUHLGOCAC-VHSXEESVSA-N 0 0 323.349 0.282 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnc(C)nc1C ZINC000488273868 397487782 /nfs/dbraw/zinc/48/77/82/397487782.db2.gz RGNKGCJLDSJVRM-VHSXEESVSA-N 0 0 322.365 0.280 10 0 DCAERN COc1ccccc1OCCNC(=O)CN1CCOCC1=O ZINC000579181852 397531053 /nfs/dbraw/zinc/53/10/53/397531053.db2.gz HUKGHDWUSBDAOG-UHFFFAOYSA-N 0 0 308.334 0.049 10 0 DCAERN CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000579174961 397531666 /nfs/dbraw/zinc/53/16/66/397531666.db2.gz CAXVTUJLJCGGAX-GRYCIOLGSA-N 0 0 321.443 0.381 10 0 DCAERN CC[C@@H]1COCCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000604649629 397646059 /nfs/dbraw/zinc/64/60/59/397646059.db2.gz QKSSJWZYKZWBSP-GFCCVEGCSA-N 0 0 319.427 0.232 10 0 DCAERN O=C(CN1CCS(=O)(=O)CC1)Nc1ccc2nccn2c1 ZINC000603886115 397625236 /nfs/dbraw/zinc/62/52/36/397625236.db2.gz WYGOHODSIYXLTF-UHFFFAOYSA-N 0 0 308.363 0.003 10 0 DCAERN C[C@H](C(=O)NCCCN1CCCS1(=O)=O)C(F)(F)F ZINC000608123525 397717254 /nfs/dbraw/zinc/71/72/54/397717254.db2.gz HDLNADICOXQRET-MRVPVSSYSA-N 0 0 302.318 0.727 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCCCC3CC3)cc2[nH]c1=O ZINC000605588442 397669678 /nfs/dbraw/zinc/66/96/78/397669678.db2.gz KWRLJIJLEXDWJD-UHFFFAOYSA-N 0 0 323.374 0.685 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)N[C@@H]3CC3(C)C)CC2)n1C ZINC000606973010 397692369 /nfs/dbraw/zinc/69/23/69/397692369.db2.gz VHQAYIULRYDQJL-GFCCVEGCSA-N 0 0 306.414 0.749 10 0 DCAERN Cc1cc(C)n(CC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000607084706 397695179 /nfs/dbraw/zinc/69/51/79/397695179.db2.gz LODCCSJEGJUWNJ-STQMWFEESA-N 0 0 313.423 0.972 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000607925447 397707026 /nfs/dbraw/zinc/70/70/26/397707026.db2.gz SKGRKVXKCLLUFY-NWDGAFQWSA-N 0 0 303.362 0.542 10 0 DCAERN Cc1nnc2c(NCCCN3CCCS3(=O)=O)nccn12 ZINC000608753157 397753098 /nfs/dbraw/zinc/75/30/98/397753098.db2.gz MNRWDRAYLJGQLT-UHFFFAOYSA-N 0 0 310.383 0.270 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CC1(C)C ZINC000608648006 397743121 /nfs/dbraw/zinc/74/31/21/397743121.db2.gz VSAYKAQDGNKCMH-QLFBSQMISA-N 0 0 324.469 0.831 10 0 DCAERN COC(=O)c1cn(CC(=O)N2CCC[C@]3(CCCOC3)C2)nn1 ZINC000610474003 397825354 /nfs/dbraw/zinc/82/53/54/397825354.db2.gz RRMSIGXMPGWSJA-HNNXBMFYSA-N 0 0 322.365 0.484 10 0 DCAERN COCC(=O)NC1CN(C(=O)C[C@@](C)(O)c2ccccc2)C1 ZINC000189171315 292179533 /nfs/dbraw/zinc/17/95/33/292179533.db2.gz BYDVSIZBCVKYAB-MRXNPFEDSA-N 0 0 306.362 0.258 10 0 DCAERN COc1cc(C(=O)NCc2cccnc2-n2cncn2)on1 ZINC000122412885 286201427 /nfs/dbraw/zinc/20/14/27/286201427.db2.gz WRPSPHJNNXQMPK-UHFFFAOYSA-N 0 0 300.278 0.589 10 0 DCAERN C[C@H]1CCCCCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408170498 299743574 /nfs/dbraw/zinc/74/35/74/299743574.db2.gz WVEFLJWELOIHHB-QWHCGFSZSA-N 0 0 302.440 0.896 10 0 DCAERN COc1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(O)c1 ZINC000284653474 286279870 /nfs/dbraw/zinc/27/98/70/286279870.db2.gz WIHKFCCGFYFBEO-HIFRSBDPSA-N 0 0 306.362 0.946 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)NCC(F)(F)CO)C12CCOCC2 ZINC000185698758 286480823 /nfs/dbraw/zinc/48/08/23/286480823.db2.gz OTPPIQIOVJJDOF-MNOVXSKESA-N 0 0 322.352 0.887 10 0 DCAERN CN(CC(=O)NC[C@@]1(O)CCCC(C)(C)C1)S(C)(=O)=O ZINC000408413090 289478253 /nfs/dbraw/zinc/47/82/53/289478253.db2.gz BUCFKVPPXJSCOX-CYBMUJFWSA-N 0 0 306.428 0.325 10 0 DCAERN Cc1c([C@@H](C)NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000046801056 158001527 /nfs/dbraw/zinc/00/15/27/158001527.db2.gz OZNUSSXAINEGKN-OUAUKWLOSA-N 0 0 316.427 0.733 10 0 DCAERN C[C@@H]1CN(CC(=O)NCCN2CCc3ccccc32)CCO1 ZINC000051160680 158013727 /nfs/dbraw/zinc/01/37/27/158013727.db2.gz NDWIJVCOVMILIW-CQSZACIVSA-N 0 0 303.406 0.886 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000051884925 158014912 /nfs/dbraw/zinc/01/49/12/158014912.db2.gz ULQWAKYFGHXTSH-NWDGAFQWSA-N 0 0 304.412 0.031 10 0 DCAERN C[C@]1(C(=O)NCC2(C(N)=O)CCOCC2)CC1(Cl)Cl ZINC000052743389 158017291 /nfs/dbraw/zinc/01/72/91/158017291.db2.gz FOIRPFCUIASHIS-SNVBAGLBSA-N 0 0 309.193 0.969 10 0 DCAERN CCNC(=O)c1cccc(NC(=O)CN2CCNC(=O)CC2)c1 ZINC000054258683 158019486 /nfs/dbraw/zinc/01/94/86/158019486.db2.gz RHUMQSPJNDDVQO-UHFFFAOYSA-N 0 0 318.377 0.197 10 0 DCAERN COCCOCC(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000056988834 158024400 /nfs/dbraw/zinc/02/44/00/158024400.db2.gz NPIISYCOUPAENK-UHFFFAOYSA-N 0 0 321.377 0.419 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)CC2)c1 ZINC000062099099 158029590 /nfs/dbraw/zinc/02/95/90/158029590.db2.gz XPVPDAMOSLEZCC-UHFFFAOYSA-N 0 0 310.375 0.790 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)NC1CC1 ZINC000066067275 158034225 /nfs/dbraw/zinc/03/42/25/158034225.db2.gz VYHFYLOQRXDSHP-JTQLQIEISA-N 0 0 304.350 0.591 10 0 DCAERN CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCNC(=O)CC2)c1 ZINC000065955277 158034345 /nfs/dbraw/zinc/03/43/45/158034345.db2.gz DDMKAKIENZSHOM-NSHDSACASA-N 0 0 318.377 0.195 10 0 DCAERN O=C(CCn1cnc2sccc2c1=O)N1CCNC(=O)CC1 ZINC000065902649 158034572 /nfs/dbraw/zinc/03/45/72/158034572.db2.gz UBJXUWYLMOKFKF-UHFFFAOYSA-N 0 0 320.374 0.197 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCNC(=O)CC1 ZINC000065902250 158035198 /nfs/dbraw/zinc/03/51/98/158035198.db2.gz XJVUZFYEGAZQEV-CYBMUJFWSA-N 0 0 322.409 0.263 10 0 DCAERN O[C@@H](CSc1nnc(NC2CC2)s1)CN1CCOCC1 ZINC000066401415 158035507 /nfs/dbraw/zinc/03/55/07/158035507.db2.gz BMJQOXZLMODPCG-SNVBAGLBSA-N 0 0 316.452 0.898 10 0 DCAERN COC(=O)[C@H](C)CN(C)C(=O)CNC(=O)c1ccccc1C ZINC000068083729 158040483 /nfs/dbraw/zinc/04/04/83/158040483.db2.gz SFUZXLOIBKQAMH-GFCCVEGCSA-N 0 0 306.362 0.992 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCCN(c2nccs2)CC1 ZINC000068297554 158042382 /nfs/dbraw/zinc/04/23/82/158042382.db2.gz SKEVSOHIDHSESH-UHFFFAOYSA-N 0 0 307.379 0.448 10 0 DCAERN CCCC(=O)NCC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000068826797 158043321 /nfs/dbraw/zinc/04/33/21/158043321.db2.gz DMHGUNGPURWWDK-UHFFFAOYSA-N 0 0 320.328 0.965 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)NCc1cccnc1N(C)C ZINC000068523484 158043931 /nfs/dbraw/zinc/04/39/31/158043931.db2.gz AGMBCVAGVQSBJF-GFCCVEGCSA-N 0 0 307.398 0.991 10 0 DCAERN COC(=O)C[C@H]1CN(C(=O)C2=NNC(=O)CC2)c2ccccc21 ZINC000074600933 158059139 /nfs/dbraw/zinc/05/91/39/158059139.db2.gz ZATQPDHLXHWYRV-JTQLQIEISA-N 0 0 315.329 0.946 10 0 DCAERN CCS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000074683419 158059418 /nfs/dbraw/zinc/05/94/18/158059418.db2.gz YDJMKXOKSRAZDX-CYBMUJFWSA-N 0 0 324.402 0.733 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)C1=NNC(=O)CC1 ZINC000074900489 158060980 /nfs/dbraw/zinc/06/09/80/158060980.db2.gz WFXHFXCERBUFMX-SNVBAGLBSA-N 0 0 300.318 0.174 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000074812493 158061295 /nfs/dbraw/zinc/06/12/95/158061295.db2.gz MELHCKWAGIXSGA-UHFFFAOYSA-N 0 0 304.346 0.907 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(n2cncn2)CC1 ZINC000076205752 158064409 /nfs/dbraw/zinc/06/44/09/158064409.db2.gz JTQGNWJWXUVOOC-LBPRGKRZSA-N 0 0 323.422 0.753 10 0 DCAERN C[C@@H](CNC(=O)[C@H]1Cc2cc(F)ccc2O1)N1CCOCC1 ZINC000076957850 158066402 /nfs/dbraw/zinc/06/64/02/158066402.db2.gz FTBHDDFFHGBNPZ-XHDPSFHLSA-N 0 0 308.353 0.966 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000077474475 158067858 /nfs/dbraw/zinc/06/78/58/158067858.db2.gz XWQDPVZLUHJXSG-ZWNOBZJWSA-N 0 0 312.391 0.438 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)N2CCNC(=O)CC2)c1 ZINC000077848627 158071545 /nfs/dbraw/zinc/07/15/45/158071545.db2.gz OFEIXCDQOYXPLU-UHFFFAOYSA-N 0 0 318.377 0.120 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)CN2CCCC2=O)C1 ZINC000079684694 158079057 /nfs/dbraw/zinc/07/90/57/158079057.db2.gz JHFHNOOZJSJLOO-YPMHNXCESA-N 0 0 310.398 0.307 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)c1cccnc1N(C)C ZINC000079722811 158079122 /nfs/dbraw/zinc/07/91/22/158079122.db2.gz XHRZUBPLIJGMLB-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1cc(-c2ccccc2)on1 ZINC000081737458 158085662 /nfs/dbraw/zinc/08/56/62/158085662.db2.gz YUUZSHGZLJKTJW-UHFFFAOYSA-N 0 0 300.274 0.832 10 0 DCAERN CNS(=O)(=O)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000083068778 158086968 /nfs/dbraw/zinc/08/69/68/158086968.db2.gz PWBXQIPORDFBRC-ZDUSSCGKSA-N 0 0 314.382 0.908 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000088769612 158094937 /nfs/dbraw/zinc/09/49/37/158094937.db2.gz UTYHTAOQOZEDDA-RYUDHWBXSA-N 0 0 320.411 0.370 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000089543102 158097505 /nfs/dbraw/zinc/09/75/05/158097505.db2.gz BWBYUXLTDSAKFA-OLZOCXBDSA-N 0 0 321.377 0.391 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)C1 ZINC000091394849 158108218 /nfs/dbraw/zinc/10/82/18/158108218.db2.gz NJFZPUURDNZLGS-GFCCVEGCSA-N 0 0 315.439 0.565 10 0 DCAERN CC(C)(C)c1noc(CCC(=O)N2CCOC[C@@H]2C(N)=O)n1 ZINC000091783188 158109210 /nfs/dbraw/zinc/10/92/10/158109210.db2.gz JPPKHFWOFNEUBL-SECBINFHSA-N 0 0 310.354 0.012 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)Nc1cccc2ccccc21 ZINC000092230343 158112899 /nfs/dbraw/zinc/11/28/99/158112899.db2.gz KURGYDCGOULDCZ-HNNXBMFYSA-N 0 0 313.357 0.964 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000092421613 158114084 /nfs/dbraw/zinc/11/40/84/158114084.db2.gz MNZAGBQOXOFMQS-OAHLLOKOSA-N 0 0 317.389 0.364 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC000092842589 158116219 /nfs/dbraw/zinc/11/62/19/158116219.db2.gz VRDBBASWEOIRME-LLVKDONJSA-N 0 0 301.416 0.120 10 0 DCAERN Cc1ccc([C@@H]2CN(CC(=O)N3CCN(C)CC3)CCO2)o1 ZINC000093208881 158118078 /nfs/dbraw/zinc/11/80/78/158118078.db2.gz LAEGUSSZGAXGDW-HNNXBMFYSA-N 0 0 307.394 0.735 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000110946934 158139064 /nfs/dbraw/zinc/13/90/64/158139064.db2.gz XBILHRSDCOEDKW-RYUDHWBXSA-N 0 0 322.365 0.221 10 0 DCAERN CCCCNC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650570 158148591 /nfs/dbraw/zinc/14/85/91/158148591.db2.gz LMYWNGLXHVKRFH-NSHDSACASA-N 0 0 312.391 0.801 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCCCNC(C)=O)CC2 ZINC000114863093 158157784 /nfs/dbraw/zinc/15/77/84/158157784.db2.gz QTNYKYWGNVHCJG-ZDUSSCGKSA-N 0 0 321.425 0.968 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC2 ZINC000114870008 158158903 /nfs/dbraw/zinc/15/89/03/158158903.db2.gz GFAURZGAPJPGPJ-LLVKDONJSA-N 0 0 321.425 0.824 10 0 DCAERN COc1cc(F)ccc1N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000115550543 158161785 /nfs/dbraw/zinc/16/17/85/158161785.db2.gz NNKHJDPZYXBPQB-JTQLQIEISA-N 0 0 324.356 0.540 10 0 DCAERN COCc1cc(N2CC[C@@H](c3cnn(C)c3)C2)n2ncnc2n1 ZINC000116265852 158164131 /nfs/dbraw/zinc/16/41/31/158164131.db2.gz LBHDIVXUMBDEKN-LLVKDONJSA-N 0 0 313.365 0.998 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116786937 158167473 /nfs/dbraw/zinc/16/74/73/158167473.db2.gz OQLYJHRMIIQDBE-ZDUSSCGKSA-N 0 0 320.455 0.380 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cnn(CC(N)=O)c1 ZINC000117610634 158171661 /nfs/dbraw/zinc/17/16/61/158171661.db2.gz MGNBFOASZOZOKS-OTYXRUKQSA-N 0 0 300.318 0.872 10 0 DCAERN C[C@@H]1[C@H](C)SCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000118289486 158176217 /nfs/dbraw/zinc/17/62/17/158176217.db2.gz ZLPOFONFEBNMDD-ZJUUUORDSA-N 0 0 321.406 0.482 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC000119015419 158180755 /nfs/dbraw/zinc/18/07/55/158180755.db2.gz HCPWVOIAEOVDAY-KGLIPLIRSA-N 0 0 317.389 0.328 10 0 DCAERN CN(C)c1ncc(NC(=O)NCCCNC(=O)C2CCC2)cn1 ZINC000120026750 158192332 /nfs/dbraw/zinc/19/23/32/158192332.db2.gz KORAQXGKNNLJAU-UHFFFAOYSA-N 0 0 320.397 0.971 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)COCCOc1ccccc1 ZINC000120336973 158195951 /nfs/dbraw/zinc/19/59/51/158195951.db2.gz VTVKXQFYSRYMFC-AWEZNQCLSA-N 0 0 306.362 0.819 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCC(n2cncn2)CC1 ZINC000120274431 158196203 /nfs/dbraw/zinc/19/62/03/158196203.db2.gz GEFBCJVEJSGWIA-UHFFFAOYSA-N 0 0 305.382 0.748 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C)CC(=O)NC1CC1)c1ccccc1 ZINC000120662013 158202050 /nfs/dbraw/zinc/20/20/50/158202050.db2.gz DQXWRKTUEMFVLO-OAHLLOKOSA-N 0 0 317.389 0.991 10 0 DCAERN CC(=O)C[C@@H]1COCCN1C(=O)CNC(=O)c1ccccc1C ZINC000121814075 158215305 /nfs/dbraw/zinc/21/53/05/158215305.db2.gz BPKXHZCFOZGWQI-CQSZACIVSA-N 0 0 318.373 0.931 10 0 DCAERN C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000121884647 158216599 /nfs/dbraw/zinc/21/65/99/158216599.db2.gz OYEYEDPEFXCKOO-JTQLQIEISA-N 0 0 313.423 0.899 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](n2cncn2)C1 ZINC000121955762 158217627 /nfs/dbraw/zinc/21/76/27/158217627.db2.gz BTHXMRYNRBAKPS-QWHCGFSZSA-N 0 0 315.381 0.905 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000122389994 158221075 /nfs/dbraw/zinc/22/10/75/158221075.db2.gz KDXAZYIIPULLEG-ZDUSSCGKSA-N 0 0 317.397 0.830 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122605080 158221862 /nfs/dbraw/zinc/22/18/62/158221862.db2.gz ZTAVCLVCLPIMAN-XHJNMGKDSA-N 0 0 311.426 0.454 10 0 DCAERN CCC[C@@H](CCO)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000123737397 158234166 /nfs/dbraw/zinc/23/41/66/158234166.db2.gz PIYQXOXXWPKDRU-XQQFMLRXSA-N 0 0 308.444 0.729 10 0 DCAERN CCN(CCC(=O)OC)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000123991188 158236044 /nfs/dbraw/zinc/23/60/44/158236044.db2.gz XEFMFVCOQYGAAG-UHFFFAOYSA-N 0 0 305.334 0.741 10 0 DCAERN COC(=O)[C@H]1CN([C@@H](C)C(=O)N2CCC(C)CC2)C[C@@H](C)O1 ZINC000124062007 158236535 /nfs/dbraw/zinc/23/65/35/158236535.db2.gz AJVSWRGKZMNOEZ-HZSPNIEDSA-N 0 0 312.410 0.896 10 0 DCAERN C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H](C)C1)Cn1cccn1 ZINC000124167406 158238586 /nfs/dbraw/zinc/23/85/86/158238586.db2.gz ITRHBPMDHQZYGW-NEPJUHHUSA-N 0 0 314.411 0.348 10 0 DCAERN CC[C@H]1CN(C(=O)NCC(=O)NC(C)C)CCN1CC(F)F ZINC000124499904 158241994 /nfs/dbraw/zinc/24/19/94/158241994.db2.gz PTHJXEYITFBFLR-NSHDSACASA-N 0 0 320.384 0.882 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCC[C@H](C)C2)n(C)n1 ZINC000125612110 158257756 /nfs/dbraw/zinc/25/77/56/158257756.db2.gz LZHOLMRUGZOROY-NSHDSACASA-N 0 0 308.382 0.806 10 0 DCAERN Cc1cccc(C)c1-n1nnnc1CN1CCNC(=O)CC1 ZINC000126126133 158261678 /nfs/dbraw/zinc/26/16/78/158261678.db2.gz AFCAOTNOLKATES-UHFFFAOYSA-N 0 0 300.366 0.601 10 0 DCAERN CCn1cc(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000126286810 158264011 /nfs/dbraw/zinc/26/40/11/158264011.db2.gz YKKZJWMOZLJPFH-CYBMUJFWSA-N 0 0 323.397 0.908 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@@H]2C1 ZINC000126729339 158268121 /nfs/dbraw/zinc/26/81/21/158268121.db2.gz KHVRTIHJFIKXTI-JHJVBQTASA-N 0 0 323.397 0.591 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@@H](C(N)=O)O1 ZINC000128528887 158281606 /nfs/dbraw/zinc/28/16/06/158281606.db2.gz OHZPNWOZFBFESX-MFKMUULPSA-N 0 0 306.366 0.713 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNC(=O)C(C)(C)C ZINC000128883287 158283245 /nfs/dbraw/zinc/28/32/45/158283245.db2.gz SFKJVRFWSXTNDK-SNVBAGLBSA-N 0 0 309.366 0.676 10 0 DCAERN O=S(=O)(NCCN1CCOCC1)c1cccc2ncccc21 ZINC000129237627 158286496 /nfs/dbraw/zinc/28/64/96/158286496.db2.gz GNOTWRABVQAAPI-UHFFFAOYSA-N 0 0 321.402 0.845 10 0 DCAERN CN(C)C(=O)CCNS(=O)(=O)c1cccc2ncccc21 ZINC000129331055 158287586 /nfs/dbraw/zinc/28/75/86/158287586.db2.gz QFJKVMMEFYMLOC-UHFFFAOYSA-N 0 0 307.375 0.991 10 0 DCAERN O=C(Cn1cn[nH]c1=O)N1CCC(Oc2ccccc2)CC1 ZINC000129979092 158292463 /nfs/dbraw/zinc/29/24/63/158292463.db2.gz OORRHGUGEXBVDR-UHFFFAOYSA-N 0 0 302.334 0.641 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000131722339 158304374 /nfs/dbraw/zinc/30/43/74/158304374.db2.gz CUDLBSTZKCGCDH-BDAKNGLRSA-N 0 0 304.368 0.277 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000132710903 158313228 /nfs/dbraw/zinc/31/32/28/158313228.db2.gz IZYJSZKIDRJNBO-WDEREUQCSA-N 0 0 311.407 0.687 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)CC2)C1 ZINC000132811519 158314091 /nfs/dbraw/zinc/31/40/91/158314091.db2.gz RZQFJQWILZQCQY-CYBMUJFWSA-N 0 0 324.425 0.413 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(CCOCCO)CC1 ZINC000132926414 158315119 /nfs/dbraw/zinc/31/51/19/158315119.db2.gz SGTLGEUKBONCNQ-AWEZNQCLSA-N 0 0 313.442 0.060 10 0 DCAERN O=C(NCC1CC1)[C@@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000133175468 158317070 /nfs/dbraw/zinc/31/70/70/158317070.db2.gz DDYFGFASQOUNJI-CYBMUJFWSA-N 0 0 320.393 0.590 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCCOC)C1 ZINC000134007502 158322761 /nfs/dbraw/zinc/32/27/61/158322761.db2.gz YDNCVRVNUNOMPG-CYBMUJFWSA-N 0 0 320.455 0.981 10 0 DCAERN CN1C[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCC1=O ZINC000134108573 158324273 /nfs/dbraw/zinc/32/42/73/158324273.db2.gz ADWWTBXSNNSZHQ-NWDGAFQWSA-N 0 0 307.394 0.515 10 0 DCAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CNC(=O)C1 ZINC000134800790 158330926 /nfs/dbraw/zinc/33/09/26/158330926.db2.gz LDKSERFNMNFDLC-NXEZZACHSA-N 0 0 308.769 0.566 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(=O)[nH]n1 ZINC000134843765 158331434 /nfs/dbraw/zinc/33/14/34/158331434.db2.gz IMBQBUTUCSDWRY-VIFPVBQESA-N 0 0 319.752 0.827 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)N[C@@H](CC)COC)CCO2)[nH]1 ZINC000141693448 158347350 /nfs/dbraw/zinc/34/73/50/158347350.db2.gz AEVKJOHTOAQPNQ-WDEREUQCSA-N 0 0 311.386 0.875 10 0 DCAERN COc1cccc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)c1 ZINC000155693073 158350761 /nfs/dbraw/zinc/35/07/61/158350761.db2.gz QDFSALZBGVXAFY-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN NC(=O)c1ccc(C(=O)NCCc2nnc3n2CCCC3)s1 ZINC000166329691 158365827 /nfs/dbraw/zinc/36/58/27/158365827.db2.gz BKIACDBHGPVONF-UHFFFAOYSA-N 0 0 319.390 0.747 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCS(=O)CC2)cc1C ZINC000170894543 158378576 /nfs/dbraw/zinc/37/85/76/158378576.db2.gz KCPBIZAMRAYVIE-UHFFFAOYSA-N 0 0 308.403 0.624 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000171287042 158381947 /nfs/dbraw/zinc/38/19/47/158381947.db2.gz OIFZQDLWDBEJRO-HNNXBMFYSA-N 0 0 302.374 0.805 10 0 DCAERN CC[C@](C)(O)CNC(=O)NCc1cccnc1-n1cncn1 ZINC000171618478 158384803 /nfs/dbraw/zinc/38/48/03/158384803.db2.gz VLCSSTYZTVZMQP-AWEZNQCLSA-N 0 0 304.354 0.623 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC[S@](C)=O ZINC000171785762 158387247 /nfs/dbraw/zinc/38/72/47/158387247.db2.gz YTDCZCPOALTUBS-WYRIXSBYSA-N 0 0 324.468 0.075 10 0 DCAERN O=C(CN1CC(=O)NC1=O)NCc1ccccc1-n1cccn1 ZINC000171867431 158387423 /nfs/dbraw/zinc/38/74/23/158387423.db2.gz ATYNCBJCNMLEJY-UHFFFAOYSA-N 0 0 313.317 0.040 10 0 DCAERN CC1(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)COC1 ZINC000171856444 158387908 /nfs/dbraw/zinc/38/79/08/158387908.db2.gz NZPAJYRHDMQBIV-CYBMUJFWSA-N 0 0 309.410 0.971 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172121586 158391395 /nfs/dbraw/zinc/39/13/95/158391395.db2.gz DCJUUZWXRJQXQU-JKXDFHQYSA-N 0 0 311.426 0.510 10 0 DCAERN COCCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)CC1=O ZINC000172359199 158394099 /nfs/dbraw/zinc/39/40/99/158394099.db2.gz HKPQPMRSVMUNNZ-SXBYAPGRSA-N 0 0 310.394 0.101 10 0 DCAERN CCNS(=O)(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000172453935 158394829 /nfs/dbraw/zinc/39/48/29/158394829.db2.gz MHVWTMSZNNMHQD-LBPRGKRZSA-N 0 0 313.423 0.965 10 0 DCAERN O=C(CNC(=O)c1ccccn1)Nc1cnn(CC(F)F)c1 ZINC000172552701 158395797 /nfs/dbraw/zinc/39/57/97/158395797.db2.gz HMNRYXKSHQRVPL-UHFFFAOYSA-N 0 0 309.276 0.912 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](C2OCCO2)C1 ZINC000172602903 158396489 /nfs/dbraw/zinc/39/64/89/158396489.db2.gz DTCCKZMPWPBUFU-RYUDHWBXSA-N 0 0 321.381 0.387 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000172650765 158397425 /nfs/dbraw/zinc/39/74/25/158397425.db2.gz LTQSAJRGDDJXHB-GXSJLCMTSA-N 0 0 307.325 0.925 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2F)C1 ZINC000172651475 158397537 /nfs/dbraw/zinc/39/75/37/158397537.db2.gz ABNDWWRYVHCZPX-ZJUUUORDSA-N 0 0 307.325 0.925 10 0 DCAERN CCN1CCO[C@@H](C(=O)NCCC(=O)Nc2ccc(C)cn2)C1 ZINC000172729031 158398613 /nfs/dbraw/zinc/39/86/13/158398613.db2.gz SAUJKNGEZRMXJJ-CYBMUJFWSA-N 0 0 320.393 0.556 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172749756 158398669 /nfs/dbraw/zinc/39/86/69/158398669.db2.gz SSUVADASCRUXEZ-ZNMIVQPWSA-N 0 0 312.410 0.504 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000173546439 158407079 /nfs/dbraw/zinc/40/70/79/158407079.db2.gz HJULVDALQUNPQO-QWHCGFSZSA-N 0 0 321.381 0.272 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)c3c(C)nn(C)c3C)CCO2)[nH]1 ZINC000173582498 158407315 /nfs/dbraw/zinc/40/73/15/158407315.db2.gz AZVIWGJYDMPJKE-LLVKDONJSA-N 0 0 318.381 0.931 10 0 DCAERN CCCCN(C(=O)CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000174735609 158420846 /nfs/dbraw/zinc/42/08/46/158420846.db2.gz PTDZSIONKZZMTJ-NSHDSACASA-N 0 0 304.412 0.281 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cn1 ZINC000178481711 158458274 /nfs/dbraw/zinc/45/82/74/158458274.db2.gz CBKNGRKNTALFRM-ONXXMXGDSA-N 0 0 303.362 0.948 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@]1(O)CCOC1 ZINC000178932984 158466637 /nfs/dbraw/zinc/46/66/37/158466637.db2.gz RKVUYSBJEVYKHU-MRXNPFEDSA-N 0 0 309.410 0.966 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180974981 158481794 /nfs/dbraw/zinc/48/17/94/158481794.db2.gz RNECGQOQILWPHK-NWDGAFQWSA-N 0 0 302.400 0.355 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1(OC)CCC1 ZINC000182004612 158488978 /nfs/dbraw/zinc/48/89/78/158488978.db2.gz LATYAVPBHIXOAB-GFCCVEGCSA-N 0 0 318.439 0.876 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)N[C@](C)(CCO)COC)CC1=O ZINC000182822284 158493867 /nfs/dbraw/zinc/49/38/67/158493867.db2.gz ROKKRDIEEAPHHV-BLLLJJGKSA-N 0 0 314.426 0.927 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)o1 ZINC000182679186 158494216 /nfs/dbraw/zinc/49/42/16/158494216.db2.gz ISDUEAFRIIHPFC-GFCCVEGCSA-N 0 0 306.322 0.083 10 0 DCAERN COCC(=O)NC1CN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000185255142 158517333 /nfs/dbraw/zinc/51/73/33/158517333.db2.gz JQMICZGSIMMTSH-UHFFFAOYSA-N 0 0 318.308 0.356 10 0 DCAERN Cn1nc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1OC(F)F ZINC000185633127 158522606 /nfs/dbraw/zinc/52/26/06/158522606.db2.gz VALCJAYYVYRDKZ-SFYZADRCSA-N 0 0 316.308 0.795 10 0 DCAERN CCS(=O)(=O)NCCN1CCN(c2cccs2)C(=O)C1 ZINC000186090292 158526863 /nfs/dbraw/zinc/52/68/63/158526863.db2.gz HOOSXPFHVWBEGJ-UHFFFAOYSA-N 0 0 317.436 0.336 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000188636188 158545944 /nfs/dbraw/zinc/54/59/44/158545944.db2.gz XBEOSKDFZWAJIZ-ZGKBOVNRSA-N 0 0 312.410 0.680 10 0 DCAERN CCS(=O)(=O)c1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188903143 158548379 /nfs/dbraw/zinc/54/83/79/158548379.db2.gz PGIGCNQKOMPAQO-LLVKDONJSA-N 0 0 324.402 0.831 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCc1cc(C)cc(C)c1 ZINC000189097968 158549735 /nfs/dbraw/zinc/54/97/35/158549735.db2.gz NTNMBCXEOWSFNZ-HZPDHXFCSA-N 0 0 304.390 0.944 10 0 DCAERN CCOC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)C(C)C ZINC000189640609 158553647 /nfs/dbraw/zinc/55/36/47/158553647.db2.gz MJWJTLDYQTUSQW-RYUDHWBXSA-N 0 0 306.428 0.876 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000189746813 158555126 /nfs/dbraw/zinc/55/51/26/158555126.db2.gz OVJPCPHDOKHOAA-UHFFFAOYSA-N 0 0 304.346 0.959 10 0 DCAERN CN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000190591066 158561312 /nfs/dbraw/zinc/56/13/12/158561312.db2.gz JHFPEFGCFPZEGQ-LBPRGKRZSA-N 0 0 315.370 0.323 10 0 DCAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000190659248 158561870 /nfs/dbraw/zinc/56/18/70/158561870.db2.gz VITFPGQYNALKJB-LBPRGKRZSA-N 0 0 315.329 0.485 10 0 DCAERN CCn1cc([C@@H]2CN(C[C@@H](C)CS(C)(=O)=O)CCO2)cn1 ZINC000190816384 158563283 /nfs/dbraw/zinc/56/32/83/158563283.db2.gz NISLOVBEHHUKMQ-OCCSQVGLSA-N 0 0 315.439 0.957 10 0 DCAERN CN(C)c1ccc(NC(=O)CN2CCCN(C)C(=O)C2)cc1 ZINC000191115449 158565584 /nfs/dbraw/zinc/56/55/84/158565584.db2.gz GZGMUPFAQYDRLW-UHFFFAOYSA-N 0 0 304.394 0.855 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccnc1N(C)C ZINC000191198985 158566378 /nfs/dbraw/zinc/56/63/78/158566378.db2.gz XRALUOGCULXXAS-LLVKDONJSA-N 0 0 305.382 0.568 10 0 DCAERN COCCN1CCCN(C(=O)Cc2cccc(OC)c2)CC1=O ZINC000191271653 158567254 /nfs/dbraw/zinc/56/72/54/158567254.db2.gz SFBMEJLIMRVFBH-UHFFFAOYSA-N 0 0 320.389 0.945 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC1CC1)c1cn(-c2ccccc2)nn1 ZINC000191909974 158572680 /nfs/dbraw/zinc/57/26/80/158572680.db2.gz XPVFCJDWLKXBDL-LLVKDONJSA-N 0 0 313.361 0.971 10 0 DCAERN Cc1cc(N2CCN(Cc3ncccn3)CC2)n2ncnc2n1 ZINC000191997507 158572766 /nfs/dbraw/zinc/57/27/66/158572766.db2.gz WLAMQSAHISTFDW-UHFFFAOYSA-N 0 0 310.365 0.545 10 0 DCAERN Cn1cc(CC(=O)Nc2ccc(N3CCOCC3)nc2)cn1 ZINC000195249193 158608514 /nfs/dbraw/zinc/60/85/14/158608514.db2.gz QZHODAPMUCNLEQ-UHFFFAOYSA-N 0 0 301.350 0.833 10 0 DCAERN COC(C)(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000230948442 158624809 /nfs/dbraw/zinc/62/48/09/158624809.db2.gz KMYHPYCHVDFMQP-UHFFFAOYSA-N 0 0 300.380 0.765 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000245557657 158649814 /nfs/dbraw/zinc/64/98/14/158649814.db2.gz VEZHXBCFHDOFKE-RFQIPJPRSA-N 0 0 320.455 0.823 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](CC)CCO ZINC000246172954 158658438 /nfs/dbraw/zinc/65/84/38/158658438.db2.gz FTXNFAYYPVZMCT-OLZOCXBDSA-N 0 0 320.455 0.715 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCOC1 ZINC000247079553 158677214 /nfs/dbraw/zinc/67/72/14/158677214.db2.gz GYDDMBSMLXJHNK-STQMWFEESA-N 0 0 318.439 0.876 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCOC1 ZINC000247079535 158677512 /nfs/dbraw/zinc/67/75/12/158677512.db2.gz GYDDMBSMLXJHNK-QWHCGFSZSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000248567247 158692561 /nfs/dbraw/zinc/69/25/61/158692561.db2.gz FECWRUMBTSZNAW-JOYOIKCWSA-N 0 0 307.316 0.880 10 0 DCAERN COCCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCO[C@@H]1C ZINC000329814057 292399793 /nfs/dbraw/zinc/39/97/93/292399793.db2.gz NOFZHCMHPXMMIR-GZBLMMOJSA-N 0 0 313.394 0.690 10 0 DCAERN Cc1ccc(OCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1C ZINC000284813766 158963114 /nfs/dbraw/zinc/96/31/14/158963114.db2.gz BLMMQCJYAJKWBI-INIZCTEOSA-N 0 0 306.362 0.521 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000300410726 158978309 /nfs/dbraw/zinc/97/83/09/158978309.db2.gz BBKHHDINKUJRNR-XWLWVQCSSA-N 0 0 312.457 0.042 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000316411855 159002601 /nfs/dbraw/zinc/00/26/01/159002601.db2.gz NKVBDQKJKNAUKX-VXGBXAGGSA-N 0 0 308.378 0.799 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000328601579 159014087 /nfs/dbraw/zinc/01/40/87/159014087.db2.gz FRUBYRXBGKICAV-DGCLKSJQSA-N 0 0 315.439 0.011 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)SCCC2(O)CC2)CC1 ZINC000328606233 159014340 /nfs/dbraw/zinc/01/43/40/159014340.db2.gz KGHBJYJZZQCEGZ-NSHDSACASA-N 0 0 300.424 0.714 10 0 DCAERN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ncn(C)n1 ZINC000328620480 159016101 /nfs/dbraw/zinc/01/61/01/159016101.db2.gz WWXYEVUHOQFIRM-AVGNSLFASA-N 0 0 307.398 0.636 10 0 DCAERN C[C@@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)N1CCOCC1 ZINC000328660474 159017521 /nfs/dbraw/zinc/01/75/21/159017521.db2.gz VLJIEOZWKCQDTC-DZGCQCFKSA-N 0 0 304.394 0.275 10 0 DCAERN Cc1noc(COCC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC000328688875 159021374 /nfs/dbraw/zinc/02/13/74/159021374.db2.gz QDSIQGKGVGTDHZ-LLVKDONJSA-N 0 0 309.322 0.101 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@H](c3noc(C)n3)C2)n1 ZINC000328722266 159024096 /nfs/dbraw/zinc/02/40/96/159024096.db2.gz XKMVMEXTCHYSED-LBPRGKRZSA-N 0 0 318.333 0.924 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)c3ccnnc3)C2)n1 ZINC000328778306 159028943 /nfs/dbraw/zinc/02/89/43/159028943.db2.gz TWXSRGJPQLVIJG-NSHDSACASA-N 0 0 302.338 0.945 10 0 DCAERN Cn1c(-c2cccnc2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000328802559 159030649 /nfs/dbraw/zinc/03/06/49/159030649.db2.gz MKRBSPHMUMESDU-CQSZACIVSA-N 0 0 314.393 0.788 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328856224 159035033 /nfs/dbraw/zinc/03/50/33/159035033.db2.gz CXPJAZCTULMXRV-XQLPTFJDSA-N 0 0 312.410 0.502 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H]1Cn1ccnn1 ZINC000328936376 159043824 /nfs/dbraw/zinc/04/38/24/159043824.db2.gz QRCUWRLVKZQZRJ-RYUDHWBXSA-N 0 0 300.384 0.251 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(S(=O)(=O)CCC2CC2)C1 ZINC000328954216 159045938 /nfs/dbraw/zinc/04/59/38/159045938.db2.gz YHPFAPGRHCYMJM-NEPJUHHUSA-N 0 0 314.411 0.707 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)N(C)C1 ZINC000328954796 159046051 /nfs/dbraw/zinc/04/60/51/159046051.db2.gz NACLREJQLXZUCW-DZKIICNBSA-N 0 0 322.409 0.213 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000328957180 159047130 /nfs/dbraw/zinc/04/71/30/159047130.db2.gz ZMPBPMJYOUXJFU-LBPRGKRZSA-N 0 0 324.410 0.482 10 0 DCAERN CCc1nnc([C@@H](C)N2CCC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000328985441 159049962 /nfs/dbraw/zinc/04/99/62/159049962.db2.gz ZRURFMPGGXGVSE-RISCZKNCSA-N 0 0 306.370 0.812 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCn3c(nnc3C(C)C)C2)N(C)C1 ZINC000328996326 159050780 /nfs/dbraw/zinc/05/07/80/159050780.db2.gz FOJNBSAHDJZSSO-RYUDHWBXSA-N 0 0 307.398 0.463 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)COC[C@@H]1CCOC1 ZINC000329009165 159052004 /nfs/dbraw/zinc/05/20/04/159052004.db2.gz ZWUWYEGOCRYEMD-KGLIPLIRSA-N 0 0 323.393 0.980 10 0 DCAERN Cn1cnc2cc(C(=O)N3CCOC[C@H]3c3nc[nH]n3)cnc21 ZINC000329104150 159062132 /nfs/dbraw/zinc/06/21/32/159062132.db2.gz GKQRYYYAUSPEIU-NSHDSACASA-N 0 0 313.321 0.300 10 0 DCAERN Cc1cnc(COCC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)o1 ZINC000329117068 159064721 /nfs/dbraw/zinc/06/47/21/159064721.db2.gz UHQDVYADXLAYBI-STQMWFEESA-N 0 0 309.366 0.431 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000329149487 159067929 /nfs/dbraw/zinc/06/79/29/159067929.db2.gz YYDTYJYOLHVVFV-KGLIPLIRSA-N 0 0 313.361 0.934 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329171012 159069346 /nfs/dbraw/zinc/06/93/46/159069346.db2.gz JWCNHBOWBYCNHV-NWDGAFQWSA-N 0 0 323.422 0.581 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCCn2nnnc21 ZINC000329198067 159072415 /nfs/dbraw/zinc/07/24/15/159072415.db2.gz VNESEVGRCJIYQO-NXEZZACHSA-N 0 0 324.410 0.357 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCO[C@@H](C)C2)cn1 ZINC000329289810 159080576 /nfs/dbraw/zinc/08/05/76/159080576.db2.gz NBBIJYPUOSSVOT-AEGPPILISA-N 0 0 323.393 0.854 10 0 DCAERN COCCN1C[C@H](C(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)CC1=O ZINC000329352899 159084354 /nfs/dbraw/zinc/08/43/54/159084354.db2.gz XVAPFULFHDKXON-FRFSOERESA-N 0 0 324.421 0.897 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)CN3CC(=O)NC3=O)ccc21 ZINC000329409046 159089377 /nfs/dbraw/zinc/08/93/77/159089377.db2.gz BLWFXUPRHSAXMB-UHFFFAOYSA-N 0 0 316.317 0.926 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)nn1 ZINC000329620654 159107218 /nfs/dbraw/zinc/10/72/18/159107218.db2.gz FMADXQSDZLTAHN-HBJVGIJOSA-N 0 0 323.397 0.029 10 0 DCAERN COCCN(C(=O)c1cnn2ccncc12)[C@H]1CCO[C@@H]1C ZINC000329631710 159108173 /nfs/dbraw/zinc/10/81/73/159108173.db2.gz IINWYNKUKVMPHU-YPMHNXCESA-N 0 0 304.350 0.995 10 0 DCAERN O=C(Cn1nnc2ccccc2c1=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329727622 159115408 /nfs/dbraw/zinc/11/54/08/159115408.db2.gz FGSGBJPLSSGRPN-JKOKRWQUSA-N 0 0 314.345 0.021 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000329753415 159117722 /nfs/dbraw/zinc/11/77/22/159117722.db2.gz WUJIDKYQHSBDEP-CABCVRRESA-N 0 0 323.437 0.711 10 0 DCAERN Cc1nnc(C(=O)NCC(C)(C)N2CCS(=O)CC2)s1 ZINC000329780573 159119065 /nfs/dbraw/zinc/11/90/65/159119065.db2.gz MRVMDNXDKLYUED-UHFFFAOYSA-N 0 0 316.452 0.419 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329850864 159123892 /nfs/dbraw/zinc/12/38/92/159123892.db2.gz ZZBWRZUAZNSELI-LSDHHAIUSA-N 0 0 309.410 0.321 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000329889615 159126652 /nfs/dbraw/zinc/12/66/52/159126652.db2.gz DUXYSWLNSMXGAJ-RISCZKNCSA-N 0 0 314.407 0.316 10 0 DCAERN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329889762 159126886 /nfs/dbraw/zinc/12/68/86/159126886.db2.gz FBDWIONMAYKAMN-LLVKDONJSA-N 0 0 304.306 0.453 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1cccnc1 ZINC000329965052 159132168 /nfs/dbraw/zinc/13/21/68/159132168.db2.gz UFRLOEXOPWXLFB-CTASWTNQSA-N 0 0 315.373 0.991 10 0 DCAERN CCN1CCN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1c1ncc[nH]1 ZINC000329964552 159132253 /nfs/dbraw/zinc/13/22/53/159132253.db2.gz UNKXGWMOCDMSRX-KGLIPLIRSA-N 0 0 303.410 0.852 10 0 DCAERN Cc1ccnc(C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)n1 ZINC000329981597 159133493 /nfs/dbraw/zinc/13/34/93/159133493.db2.gz NPFDOYWRXHFMKK-RYUDHWBXSA-N 0 0 316.340 0.922 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000330137825 159144974 /nfs/dbraw/zinc/14/49/74/159144974.db2.gz VDZISUKEXSDZSQ-CQSZACIVSA-N 0 0 305.378 0.566 10 0 DCAERN C[C@H](C(=O)N1CCSC[C@@H]1c1cnn(C)c1)N1CCOCC1 ZINC000330162837 159147464 /nfs/dbraw/zinc/14/74/64/159147464.db2.gz UTJFKAMZUFXRRI-TZMCWYRMSA-N 0 0 324.450 0.757 10 0 DCAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CC[C@H](O)C1 ZINC000330199301 159149459 /nfs/dbraw/zinc/14/94/59/159149459.db2.gz VFTYIRQLFSOVJS-STQMWFEESA-N 0 0 304.412 0.174 10 0 DCAERN Cc1nccn1-c1cncc(N2CC[C@@H](C)S(=O)(=O)CC2)n1 ZINC000330252573 159154551 /nfs/dbraw/zinc/15/45/51/159154551.db2.gz OKABNLFLCLILMY-LLVKDONJSA-N 0 0 321.406 0.984 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C[C@H]21 ZINC000330328010 159160338 /nfs/dbraw/zinc/16/03/38/159160338.db2.gz LINJUQMJMKPGGJ-RAIGVLPGSA-N 0 0 306.366 0.069 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@H](CO)CC(F)(F)F)no1 ZINC000330467629 159178627 /nfs/dbraw/zinc/17/86/27/159178627.db2.gz SRYWGLOOMSSPJS-QMMMGPOBSA-N 0 0 302.274 0.716 10 0 DCAERN CS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000332700759 159211102 /nfs/dbraw/zinc/21/11/02/159211102.db2.gz SGNKPQNJVNGEJN-WOPDTQHZSA-N 0 0 302.396 0.382 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@]2(CCCOC2)C1 ZINC000332778885 159213583 /nfs/dbraw/zinc/21/35/83/159213583.db2.gz NCZNMGNBABCZDB-IIAWOOMASA-N 0 0 312.410 0.552 10 0 DCAERN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H]2CCC[C@@H]21 ZINC000332899031 159216438 /nfs/dbraw/zinc/21/64/38/159216438.db2.gz WDFLGGOJCLLGAS-XBFCOCLRSA-N 0 0 307.394 0.960 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](C3CC3)C2)C1 ZINC000332964453 159218564 /nfs/dbraw/zinc/21/85/64/159218564.db2.gz KMOGJHPZSNULAM-QWHCGFSZSA-N 0 0 310.398 0.611 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)N[C@H]1CC[C@H](OC)C1 ZINC000359285255 159261925 /nfs/dbraw/zinc/26/19/25/159261925.db2.gz MCFFAPNXBPWFOM-XQQFMLRXSA-N 0 0 304.387 0.267 10 0 DCAERN Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000359949012 159265216 /nfs/dbraw/zinc/26/52/16/159265216.db2.gz JCVVVXFFWHFTEL-UHFFFAOYSA-N 0 0 319.361 0.587 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(C)nn1-c1ccccc1 ZINC000362022008 159272519 /nfs/dbraw/zinc/27/25/19/159272519.db2.gz TZGKTTHXXHGUKO-CQSZACIVSA-N 0 0 313.361 0.947 10 0 DCAERN CC(C)N(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367231844 159322932 /nfs/dbraw/zinc/32/29/32/159322932.db2.gz PPTFGPCLYUUYOG-QWHCGFSZSA-N 0 0 320.455 0.729 10 0 DCAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCN(C)C(=O)C2)C1 ZINC000189776794 286754588 /nfs/dbraw/zinc/75/45/88/286754588.db2.gz DNUZPMXSWXFPDK-KGLIPLIRSA-N 0 0 323.437 0.962 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000368220607 159382776 /nfs/dbraw/zinc/38/27/76/159382776.db2.gz MCBUOGIVBKAEDF-ZDUSSCGKSA-N 0 0 318.439 0.134 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000368295244 159385792 /nfs/dbraw/zinc/38/57/92/159385792.db2.gz ZVEXHSJIHGUCOQ-CQSZACIVSA-N 0 0 318.377 0.012 10 0 DCAERN O=C(c1cccnc1N1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000371795279 159586743 /nfs/dbraw/zinc/58/67/43/159586743.db2.gz KYZUUQVDTSBFEF-AWEZNQCLSA-N 0 0 316.405 0.838 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCC[C@@H]1O)N1C(=O)NC2(CCCC2)C1=O ZINC000371812486 159587609 /nfs/dbraw/zinc/58/76/09/159587609.db2.gz HTJWNJXMCICCNR-UTUOFQBUSA-N 0 0 323.393 0.517 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cn1 ZINC000371864802 159591159 /nfs/dbraw/zinc/59/11/59/159591159.db2.gz OHVFMLQPNUNFEO-GFCCVEGCSA-N 0 0 305.334 0.025 10 0 DCAERN COc1cccc(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)c1 ZINC000372302444 159615616 /nfs/dbraw/zinc/61/56/16/159615616.db2.gz PHDBVBJDJAIYHI-HNNXBMFYSA-N 0 0 304.302 0.589 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373686023 159693293 /nfs/dbraw/zinc/69/32/93/159693293.db2.gz VYSLWTGKTZOYPQ-AWEZNQCLSA-N 0 0 318.439 0.843 10 0 DCAERN CC(=O)CCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000374370094 159731261 /nfs/dbraw/zinc/73/12/61/159731261.db2.gz BAYPDAGOKOOESP-UHFFFAOYSA-N 0 0 302.396 0.428 10 0 DCAERN CN1N=C(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CCC1=O ZINC000374758035 159750670 /nfs/dbraw/zinc/75/06/70/159750670.db2.gz JHKVZDUZURCISF-FZMZJTMJSA-N 0 0 323.393 0.279 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407966760 159998547 /nfs/dbraw/zinc/99/85/47/159998547.db2.gz OPOCBRQFDRSTMG-VXGBXAGGSA-N 0 0 316.423 0.279 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407971691 160000216 /nfs/dbraw/zinc/00/02/16/160000216.db2.gz QMJCCNZJOABXFF-CHWSQXEVSA-N 0 0 309.410 0.857 10 0 DCAERN Cn1ncc2c1ncnc2N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000407977101 160000875 /nfs/dbraw/zinc/00/08/75/160000875.db2.gz QXVHLEADIQGWCN-MNOVXSKESA-N 0 0 324.410 0.636 10 0 DCAERN Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](C(N)=O)O3)C2)[nH]n1 ZINC000407980469 160001697 /nfs/dbraw/zinc/00/16/97/160001697.db2.gz IZTCEPQNTUPAFM-WXHSDQCUSA-N 0 0 306.366 0.457 10 0 DCAERN CC(=O)N1CC[C@H](Nc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000407987736 160003602 /nfs/dbraw/zinc/00/36/02/160003602.db2.gz ZXUKPCYHIZYNRH-QMMMGPOBSA-N 0 0 304.397 0.132 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000407999798 160006966 /nfs/dbraw/zinc/00/69/66/160006966.db2.gz XJAAOMCSKBPSDE-SFYZADRCSA-N 0 0 317.333 0.278 10 0 DCAERN C[C@H](C(=O)N1CCC(c2nncn2C)CC1)N1CCOCC1 ZINC000408001057 160007887 /nfs/dbraw/zinc/00/78/87/160007887.db2.gz MKFRKCTVTJNGCC-GFCCVEGCSA-N 0 0 307.398 0.242 10 0 DCAERN CC1CCN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000408012243 160010545 /nfs/dbraw/zinc/01/05/45/160010545.db2.gz DKUMPISUGRSJJZ-NEPJUHHUSA-N 0 0 303.428 0.549 10 0 DCAERN C[C@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)N1CCOCC1 ZINC000408014199 160011112 /nfs/dbraw/zinc/01/11/12/160011112.db2.gz LJRILFGTKBOVIZ-SNVBAGLBSA-N 0 0 310.316 0.623 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000408016084 160011710 /nfs/dbraw/zinc/01/17/10/160011710.db2.gz HULIYWRJIOXHMX-UTUOFQBUSA-N 0 0 308.444 0.463 10 0 DCAERN CC(=O)N1CC[C@H](NC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000408019473 160013348 /nfs/dbraw/zinc/01/33/48/160013348.db2.gz GPFZILGDYBNBOV-ZDUSSCGKSA-N 0 0 310.398 0.309 10 0 DCAERN COC(=O)C12CCC(C(=O)N3CCO[C@@H](CO)C3)(CC1)CC2 ZINC000408026457 160014941 /nfs/dbraw/zinc/01/49/41/160014941.db2.gz FBLBWQWELLXRPD-UWTIGNOOSA-N 0 0 311.378 0.720 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1C(N)=O ZINC000408031686 160016438 /nfs/dbraw/zinc/01/64/38/160016438.db2.gz OPNUTTHBXZXFLZ-WRWGMCAJSA-N 0 0 303.428 0.262 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000408045488 160021398 /nfs/dbraw/zinc/02/13/98/160021398.db2.gz FZXCBUMDECOAQU-BBRMVZONSA-N 0 0 320.393 0.287 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC[C@H](OCC(C)C)C2)C1 ZINC000408051924 160023370 /nfs/dbraw/zinc/02/33/70/160023370.db2.gz MFJBQAGETOQRJM-HOCLYGCPSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000408050725 160023514 /nfs/dbraw/zinc/02/35/14/160023514.db2.gz KZIVYFPTHAXTLQ-INIZCTEOSA-N 0 0 320.393 0.489 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@H](O)C2CCCCC2)C1 ZINC000408050402 160023612 /nfs/dbraw/zinc/02/36/12/160023612.db2.gz CTEJDKRJDOMXSV-GOEBONIOSA-N 0 0 312.410 0.417 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC2Cc3ccccc3C2)C1 ZINC000408054873 160024237 /nfs/dbraw/zinc/02/42/37/160024237.db2.gz PCZGZVSOYUIBPG-QGZVFWFLSA-N 0 0 302.374 0.643 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000408054047 160024261 /nfs/dbraw/zinc/02/42/61/160024261.db2.gz QBTINWNIUZXULP-QGZVFWFLSA-N 0 0 318.373 0.650 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C[C@H]1C(N)=O ZINC000408055279 160025228 /nfs/dbraw/zinc/02/52/28/160025228.db2.gz SEOJAUSKPCVDKI-OUAUKWLOSA-N 0 0 321.343 0.841 10 0 DCAERN CCn1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)nc1C ZINC000408058016 160025247 /nfs/dbraw/zinc/02/52/47/160025247.db2.gz DOOIWZQNCCENQN-VIFPVBQESA-N 0 0 321.424 0.019 10 0 DCAERN Cc1ocnc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408055044 160025384 /nfs/dbraw/zinc/02/53/84/160025384.db2.gz WHTYTVIEVLOHJJ-MNOVXSKESA-N 0 0 311.313 0.394 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3c2cnn3C)CCO1 ZINC000408059307 160025695 /nfs/dbraw/zinc/02/56/95/160025695.db2.gz GGKODDILDSYLMB-YPMHNXCESA-N 0 0 322.365 0.381 10 0 DCAERN CCOC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCC1 ZINC000408072586 160029455 /nfs/dbraw/zinc/02/94/55/160029455.db2.gz NUDJBVWPRJEBPE-NSHDSACASA-N 0 0 304.412 0.486 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)nc1 ZINC000408075979 160030307 /nfs/dbraw/zinc/03/03/07/160030307.db2.gz ARHNNINSKMOKCE-QWRGUYRKSA-N 0 0 309.391 0.991 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000408078028 160030866 /nfs/dbraw/zinc/03/08/66/160030866.db2.gz GAUPLTWVKQRAOU-JHJVBQTASA-N 0 0 318.439 0.874 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCOCC2(CCOCC2)C1 ZINC000408078884 160030890 /nfs/dbraw/zinc/03/08/90/160030890.db2.gz KRNFULDWANIGGK-CHWSQXEVSA-N 0 0 311.378 0.841 10 0 DCAERN CC[C@]1(C)COCCN1S(=O)(=O)CCCS(C)(=O)=O ZINC000408085072 160032611 /nfs/dbraw/zinc/03/26/11/160032611.db2.gz WJSVBEKOWJGIRW-LLVKDONJSA-N 0 0 313.441 0.252 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@H](C)[C@@H](O)C3)cc12 ZINC000408089122 160033276 /nfs/dbraw/zinc/03/32/76/160033276.db2.gz MEZPALMCEVXCJV-ZANVPECISA-N 0 0 324.406 0.668 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000408094483 160034209 /nfs/dbraw/zinc/03/42/09/160034209.db2.gz SGPLFYLHUGTWLT-RTXFEEFZSA-N 0 0 312.435 0.917 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C)[C@@H](O)C1)CC2 ZINC000408093371 160034302 /nfs/dbraw/zinc/03/43/02/160034302.db2.gz VHLCAKMSCKAZTP-TUAOUCFPSA-N 0 0 307.398 0.568 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@@H]1O ZINC000408091639 160034490 /nfs/dbraw/zinc/03/44/90/160034490.db2.gz VTLPCNHEYZHWOR-YGRLFVJLSA-N 0 0 322.386 0.920 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000408091816 160034576 /nfs/dbraw/zinc/03/45/76/160034576.db2.gz IXPFTPZXPQTDGV-ATZCPNFKSA-N 0 0 311.411 0.718 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2ccc3nccnc3n2)CC1 ZINC000408096075 160035201 /nfs/dbraw/zinc/03/52/01/160035201.db2.gz VEZLMQJYLHCGDR-UHFFFAOYSA-N 0 0 314.349 0.512 10 0 DCAERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000408103462 160036541 /nfs/dbraw/zinc/03/65/41/160036541.db2.gz AXMJFBFIQXYPMZ-QWRGUYRKSA-N 0 0 318.464 0.525 10 0 DCAERN C[C@@H]1CN(c2ccc(S(C)(=O)=O)cn2)CC[S@](=O)C1 ZINC000408108594 160037230 /nfs/dbraw/zinc/03/72/30/160037230.db2.gz BIYOWSVHNUIWSS-MGNBDDOMSA-N 0 0 302.421 0.690 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000408109494 160038059 /nfs/dbraw/zinc/03/80/59/160038059.db2.gz GOJWMEMZTRAYAQ-VXGBXAGGSA-N 0 0 304.412 0.174 10 0 DCAERN C[C@@H]1CC[S@@](=O)CCN1c1ccc(S(C)(=O)=O)cn1 ZINC000408110999 160038100 /nfs/dbraw/zinc/03/81/00/160038100.db2.gz XWUXRGKNGYLDOL-MLCYQJTMSA-N 0 0 302.421 0.832 10 0 DCAERN CCN(C1CCN(C(=O)N[C@H]2C[C@H]2C)CC1)S(C)(=O)=O ZINC000408112719 160038944 /nfs/dbraw/zinc/03/89/44/160038944.db2.gz PRGCWSCHQCIUQY-PWSUYJOCSA-N 0 0 303.428 0.850 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408115769 160039682 /nfs/dbraw/zinc/03/96/82/160039682.db2.gz LZVDQRDSUSFTHU-GDPRMGEGSA-N 0 0 314.363 0.078 10 0 DCAERN C[C@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1CO ZINC000408136156 160044894 /nfs/dbraw/zinc/04/48/94/160044894.db2.gz BMKGNVRQZOBNLU-AAEUAGOBSA-N 0 0 318.439 0.277 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1O ZINC000408137598 160045122 /nfs/dbraw/zinc/04/51/22/160045122.db2.gz JVHHXJOVXJTIJH-VXGBXAGGSA-N 0 0 318.439 0.277 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000408134902 160045309 /nfs/dbraw/zinc/04/53/09/160045309.db2.gz WJBNEAQQXXPDLG-GHMZBOCLSA-N 0 0 313.427 0.852 10 0 DCAERN C[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)[C@H]1CO ZINC000408136567 160045411 /nfs/dbraw/zinc/04/54/11/160045411.db2.gz FVIULWXFXSPTBR-AAEUAGOBSA-N 0 0 301.346 0.928 10 0 DCAERN CC(C)CN(C)S(=O)(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000408139577 160045805 /nfs/dbraw/zinc/04/58/05/160045805.db2.gz OUZUBQOZQYJMNY-ZDUSSCGKSA-N 0 0 305.444 0.272 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)o1 ZINC000408146809 160047878 /nfs/dbraw/zinc/04/78/78/160047878.db2.gz VJLCMPPSKDDRKB-VIFPVBQESA-N 0 0 308.381 0.030 10 0 DCAERN Cc1nn(C)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408151648 160048411 /nfs/dbraw/zinc/04/84/11/160048411.db2.gz RLOGEZMJMRHQRX-CYBMUJFWSA-N 0 0 322.434 0.909 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408159873 160049970 /nfs/dbraw/zinc/04/99/70/160049970.db2.gz HCSALPGMJFSADS-RDBSUJKOSA-N 0 0 323.437 0.912 10 0 DCAERN C[C@H](N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1)C(F)(F)F ZINC000408165025 160050983 /nfs/dbraw/zinc/05/09/83/160050983.db2.gz KRBZAROQQYAMRQ-VWYCJHECSA-N 0 0 321.343 0.996 10 0 DCAERN COC1(C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CCC1 ZINC000408170761 160051734 /nfs/dbraw/zinc/05/17/34/160051734.db2.gz FWMFQHFGQSIEOH-CYBMUJFWSA-N 0 0 308.382 0.691 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O ZINC000408171190 160052775 /nfs/dbraw/zinc/05/27/75/160052775.db2.gz YGNNROOQAOPLHU-ZIAGYGMSSA-N 0 0 309.410 0.857 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000408175600 160052888 /nfs/dbraw/zinc/05/28/88/160052888.db2.gz VRAOKHGTGVLGEJ-UWVGGRQHSA-N 0 0 308.400 0.272 10 0 DCAERN CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C2CC2)C1 ZINC000408179305 160053682 /nfs/dbraw/zinc/05/36/82/160053682.db2.gz CQBKTFBYCJLPKT-LBPRGKRZSA-N 0 0 309.453 0.873 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000408183268 160054605 /nfs/dbraw/zinc/05/46/05/160054605.db2.gz PIHUKHBPBRWWLN-NWDGAFQWSA-N 0 0 314.411 0.211 10 0 DCAERN NS(=O)(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000408181350 160054700 /nfs/dbraw/zinc/05/47/00/160054700.db2.gz CLNZRFPVUJIWTC-UHFFFAOYSA-N 0 0 302.425 0.342 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)CS(=O)(=O)N(C)C)C2)c1 ZINC000408184342 160055151 /nfs/dbraw/zinc/05/51/51/160055151.db2.gz BDIUEKYWTNRADK-LBPRGKRZSA-N 0 0 314.411 0.246 10 0 DCAERN COCC1(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000408192650 160056941 /nfs/dbraw/zinc/05/69/41/160056941.db2.gz NMZPJJCDRURNBI-SNVBAGLBSA-N 0 0 300.384 0.520 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3cccc(O)c3)CC2)CC(=O)N1 ZINC000408197048 160057505 /nfs/dbraw/zinc/05/75/05/160057505.db2.gz FQUFNIGVYWTPGE-OLZOCXBDSA-N 0 0 317.389 0.956 10 0 DCAERN CC[C@H]1C[C@@H](C(=O)NC2CCC(C(=O)NC)CC2)CC(=O)N1 ZINC000408197483 160057559 /nfs/dbraw/zinc/05/75/59/160057559.db2.gz JMPRZLHTJCCNAB-QBHFIFKDSA-N 0 0 309.410 0.712 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@H]2CC(=O)N[C@@H](CC)C2)CC1 ZINC000408198471 160057570 /nfs/dbraw/zinc/05/75/70/160057570.db2.gz SMXVLWRDIJQSRP-NEPJUHHUSA-N 0 0 310.398 0.165 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(C)nc(C)n3)CCO2)[nH]1 ZINC000408197931 160057626 /nfs/dbraw/zinc/05/76/26/160057626.db2.gz KMFCTDKDWCREMQ-LBPRGKRZSA-N 0 0 302.338 0.734 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408201623 160058490 /nfs/dbraw/zinc/05/84/90/160058490.db2.gz FZJYMJDAGFVVGE-UPJWGTAASA-N 0 0 309.410 0.664 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 ZINC000408201622 160058615 /nfs/dbraw/zinc/05/86/15/160058615.db2.gz FZJYMJDAGFVVGE-JHJVBQTASA-N 0 0 309.410 0.664 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)nc(C)n1 ZINC000408198958 160058691 /nfs/dbraw/zinc/05/86/91/160058691.db2.gz PNDQQQIPBVFQCP-XHDPSFHLSA-N 0 0 304.394 0.886 10 0 DCAERN COCCN1CCN(S(=O)(=O)N(C)CC2CC2)C[C@@H]1C ZINC000408204588 160059210 /nfs/dbraw/zinc/05/92/10/160059210.db2.gz VHEVLVZSRQTLBU-LBPRGKRZSA-N 0 0 305.444 0.226 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](C)N1CCOCC1)CC2 ZINC000408207233 160059841 /nfs/dbraw/zinc/05/98/41/160059841.db2.gz RFABUDMSOZOZSM-CHWSQXEVSA-N 0 0 321.425 0.553 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000408206983 160060058 /nfs/dbraw/zinc/06/00/58/160060058.db2.gz VAPAYTUTSHKXIH-CHWSQXEVSA-N 0 0 324.425 0.540 10 0 DCAERN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)CC[S@]1=O ZINC000408211076 160060789 /nfs/dbraw/zinc/06/07/89/160060789.db2.gz MOYDSRMRPYOIDP-CFMSYZGJSA-N 0 0 301.412 0.160 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CC(=O)Nc3ccccc32)CC[S@@]1=O ZINC000408211098 160061143 /nfs/dbraw/zinc/06/11/43/160061143.db2.gz MSALJGGJNOWSHG-XFNZEKPQSA-N 0 0 321.402 0.425 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)CN2CSCC2=O)C[C@H]1O ZINC000408212017 160061617 /nfs/dbraw/zinc/06/16/17/160061617.db2.gz SWVZTMDPOUKAFK-WDEREUQCSA-N 0 0 300.424 0.775 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000408224964 160064054 /nfs/dbraw/zinc/06/40/54/160064054.db2.gz IVUPSAAXKGPTIQ-CYBMUJFWSA-N 0 0 322.390 0.886 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCCC[C@@H]2C)c(C)nn1C ZINC000408229975 160064396 /nfs/dbraw/zinc/06/43/96/160064396.db2.gz ACQQOAWHSNFTLW-JTQLQIEISA-N 0 0 316.427 0.946 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3[C@H](C)C3(F)F)CC2)n1 ZINC000408230325 160064817 /nfs/dbraw/zinc/06/48/17/160064817.db2.gz AXEORHKAAMONFC-GZMMTYOYSA-N 0 0 300.309 0.923 10 0 DCAERN Cc1ncsc1CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408234409 160065352 /nfs/dbraw/zinc/06/53/52/160065352.db2.gz FCHPSAMIISJSKL-DTWKUNHWSA-N 0 0 305.425 0.895 10 0 DCAERN Cn1ccnc1CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408243372 160067473 /nfs/dbraw/zinc/06/74/73/160067473.db2.gz GUEJPWDPOBNDEA-UHFFFAOYSA-N 0 0 300.384 0.139 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)[C@@H]1CO ZINC000408243341 160067710 /nfs/dbraw/zinc/06/77/10/160067710.db2.gz GJGDBKKNTXLWLQ-UONOGXRCSA-N 0 0 320.455 0.131 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1 ZINC000408246968 160068598 /nfs/dbraw/zinc/06/85/98/160068598.db2.gz QRCKCVOECHIYTB-KGLIPLIRSA-N 0 0 308.382 0.691 10 0 DCAERN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC000408246782 160068663 /nfs/dbraw/zinc/06/86/63/160068663.db2.gz OXNANLGODUHHFG-QWHCGFSZSA-N 0 0 302.440 0.895 10 0 DCAERN CC(C)N1C(=O)CN([C@@H](C)C(=O)NC(=O)NC2CC2)CC1(C)C ZINC000408248240 160069490 /nfs/dbraw/zinc/06/94/90/160069490.db2.gz UGOOUBWBVXKJSA-NSHDSACASA-N 0 0 324.425 0.694 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000408256932 160070642 /nfs/dbraw/zinc/07/06/42/160070642.db2.gz NKOWYHMFMICUQT-NTZNESFSSA-N 0 0 303.428 0.454 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cnn1 ZINC000408254419 160070792 /nfs/dbraw/zinc/07/07/92/160070792.db2.gz DIUQCSFMHXCCJM-GFCCVEGCSA-N 0 0 312.395 0.327 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCS1 ZINC000408263274 160072287 /nfs/dbraw/zinc/07/22/87/160072287.db2.gz UKXRSLYYTROTGO-CMPLNLGQSA-N 0 0 321.468 0.605 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000408273623 160073327 /nfs/dbraw/zinc/07/33/27/160073327.db2.gz FILUWTWWRJVSKU-WOPDTQHZSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000408279665 160075120 /nfs/dbraw/zinc/07/51/20/160075120.db2.gz BOQYBCIJBLCICO-LLVKDONJSA-N 0 0 316.423 0.281 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1 ZINC000408281411 160075652 /nfs/dbraw/zinc/07/56/52/160075652.db2.gz OIFNIPUSCDFTMF-AWEZNQCLSA-N 0 0 311.426 0.160 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000408290297 160077485 /nfs/dbraw/zinc/07/74/85/160077485.db2.gz IMXADWGEHAKPEK-FFSVYQOJSA-N 0 0 308.378 0.137 10 0 DCAERN C[C@@H]1C[C@H](O)CN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408293912 160078355 /nfs/dbraw/zinc/07/83/55/160078355.db2.gz JBOCDAHPIXIGRO-APPZFPTMSA-N 0 0 302.327 0.068 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408305210 160080664 /nfs/dbraw/zinc/08/06/64/160080664.db2.gz IABQVSWWYCQKFR-SCZZXKLOSA-N 0 0 315.313 0.337 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@](C)(O)C(C)C)CCO2)n1 ZINC000408304376 160080736 /nfs/dbraw/zinc/08/07/36/160080736.db2.gz YFGVSVXVRAGABC-UKRRQHHQSA-N 0 0 310.398 0.529 10 0 DCAERN CC(C)(C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)S(C)(=O)=O ZINC000408305366 160080938 /nfs/dbraw/zinc/08/09/38/160080938.db2.gz JIPDNKAQQMXSFN-JTQLQIEISA-N 0 0 317.329 0.725 10 0 DCAERN O=C(NC[C@H](O)C(F)F)C1CCN(C(=O)N2CCCC2)CC1 ZINC000408308726 160082684 /nfs/dbraw/zinc/08/26/84/160082684.db2.gz JRWHWKAIWQTGBI-NSHDSACASA-N 0 0 319.352 0.656 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)C1CCOCC1 ZINC000408309753 160082714 /nfs/dbraw/zinc/08/27/14/160082714.db2.gz YWDOPSPSVFBPQL-PWSUYJOCSA-N 0 0 319.427 0.135 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)O1 ZINC000408317766 160084145 /nfs/dbraw/zinc/08/41/45/160084145.db2.gz ATOHARAUIYJIPD-WOPDTQHZSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)O1 ZINC000408321253 160085083 /nfs/dbraw/zinc/08/50/83/160085083.db2.gz ONSHLRJKHDHYKH-PWSUYJOCSA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)[C@H]1CSCN1C(C)=O ZINC000408325156 160085317 /nfs/dbraw/zinc/08/53/17/160085317.db2.gz WXYJNIOBXCEULS-NWDGAFQWSA-N 0 0 300.380 0.114 10 0 DCAERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2(O)CCC2)C1 ZINC000408324415 160085340 /nfs/dbraw/zinc/08/53/40/160085340.db2.gz LYTGCOXLZUAYCF-LLVKDONJSA-N 0 0 306.366 0.989 10 0 DCAERN CC(C)=CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408333590 160087023 /nfs/dbraw/zinc/08/70/23/160087023.db2.gz GGZFWGKPTDAUEJ-UHFFFAOYSA-N 0 0 324.468 0.544 10 0 DCAERN CO[C@H]1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000408344920 160088959 /nfs/dbraw/zinc/08/89/59/160088959.db2.gz CGJKTKJBQKERAE-BGMSHATGSA-N 0 0 323.393 0.734 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408349629 160089708 /nfs/dbraw/zinc/08/97/08/160089708.db2.gz LCTGGFLDYXACDA-BMIGLBTASA-N 0 0 304.350 0.343 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000408352063 160090520 /nfs/dbraw/zinc/09/05/20/160090520.db2.gz LVIUGZXGJGLOHR-UONOGXRCSA-N 0 0 312.410 0.348 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408357345 160091550 /nfs/dbraw/zinc/09/15/50/160091550.db2.gz AJNIRKPBUUKPSL-CMPLNLGQSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1O ZINC000408364816 160093407 /nfs/dbraw/zinc/09/34/07/160093407.db2.gz NJFIGAWGXZSHPF-PSASIEDQSA-N 0 0 309.338 0.540 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000408375916 160095119 /nfs/dbraw/zinc/09/51/19/160095119.db2.gz LTDCOYPNOKOPPQ-JOYOIKCWSA-N 0 0 304.350 0.820 10 0 DCAERN C[C@@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cncnc1 ZINC000408387475 160097330 /nfs/dbraw/zinc/09/73/30/160097330.db2.gz XXFAHCXGEKHCHX-WDEREUQCSA-N 0 0 312.395 0.072 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000408391527 160098416 /nfs/dbraw/zinc/09/84/16/160098416.db2.gz CPIFISJQOXGRHU-KFWWJZLASA-N 0 0 324.421 0.897 10 0 DCAERN O=C(N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)[C@H]1CCSC1 ZINC000408398650 160100341 /nfs/dbraw/zinc/10/03/41/160100341.db2.gz ZTDCEHCWUZHJMY-WDEREUQCSA-N 0 0 308.407 0.608 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CCCCO3)CCO2)n1 ZINC000408402503 160101270 /nfs/dbraw/zinc/10/12/70/160101270.db2.gz NRPWTGPVHGUVGW-UONOGXRCSA-N 0 0 308.382 0.691 10 0 DCAERN CN(C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](O)C1CCCCC1 ZINC000408413624 160103403 /nfs/dbraw/zinc/10/34/03/160103403.db2.gz CLFYAVNWCMWQFB-DGCLKSJQSA-N 0 0 303.424 0.821 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC2([S@](C)=O)CCC2)C1 ZINC000408414484 160103462 /nfs/dbraw/zinc/10/34/62/160103462.db2.gz HESPKVWHFZHPNN-GTJPDFRWSA-N 0 0 315.439 0.598 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC(CC(=O)N(C)C)CC1 ZINC000408428298 160105768 /nfs/dbraw/zinc/10/57/68/160105768.db2.gz UIIXGAWQVXWAFN-YPMHNXCESA-N 0 0 324.425 0.553 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000408434797 160107346 /nfs/dbraw/zinc/10/73/46/160107346.db2.gz SAQMDZIWIJVOFI-WUHRBBMRSA-N 0 0 308.444 0.727 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N(C)[C@@H](C)C(C)C)N(S(C)(=O)=O)C1 ZINC000408449582 160109854 /nfs/dbraw/zinc/10/98/54/160109854.db2.gz AGWSSMKYRYQJBO-SDDRHHMPSA-N 0 0 306.428 0.538 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cn1 ZINC000408449257 160109951 /nfs/dbraw/zinc/10/99/51/160109951.db2.gz FNFOLWIUAKHZQE-CQSZACIVSA-N 0 0 322.390 0.886 10 0 DCAERN COCC1(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)CC1 ZINC000408455790 160112195 /nfs/dbraw/zinc/11/21/95/160112195.db2.gz FDSVJFFNBLVSCJ-UHFFFAOYSA-N 0 0 304.412 0.295 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408456712 160112455 /nfs/dbraw/zinc/11/24/55/160112455.db2.gz KMQDLLIVGGIEFQ-WDEREUQCSA-N 0 0 313.441 0.108 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)CC1=O ZINC000408459240 160112577 /nfs/dbraw/zinc/11/25/77/160112577.db2.gz HXTHDWRBQHRQMI-RYUDHWBXSA-N 0 0 304.412 0.438 10 0 DCAERN CNS(=O)(=O)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000408458434 160112793 /nfs/dbraw/zinc/11/27/93/160112793.db2.gz UFLJGWDKTVMYOU-CYBMUJFWSA-N 0 0 305.444 0.009 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)N2CCN(C)C(=O)C2(C)C)CCO1 ZINC000408461989 160113343 /nfs/dbraw/zinc/11/33/43/160113343.db2.gz XMLARFXSOONXTP-QWRGUYRKSA-N 0 0 304.412 0.436 10 0 DCAERN CN1C(=O)N(CC(=O)N[C@H]2C[C@@H](O)C2)C(=O)C12CCCCC2 ZINC000408467440 160114861 /nfs/dbraw/zinc/11/48/61/160114861.db2.gz NWQYWTGCFBNSDQ-PHIMTYICSA-N 0 0 309.366 0.223 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](CO)C1 ZINC000035217186 286884688 /nfs/dbraw/zinc/88/46/88/286884688.db2.gz WGQJUELIFXMGFT-QWHCGFSZSA-N 0 0 318.439 0.422 10 0 DCAERN CSc1ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 ZINC000049042190 286891352 /nfs/dbraw/zinc/89/13/52/286891352.db2.gz BWJUFZXXIOXZKM-SECBINFHSA-N 0 0 302.421 0.962 10 0 DCAERN CCOCCCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000055498442 286897975 /nfs/dbraw/zinc/89/79/75/286897975.db2.gz IZONDUBGPCNCIZ-UHFFFAOYSA-N 0 0 319.361 0.623 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000067622916 286906796 /nfs/dbraw/zinc/90/67/96/286906796.db2.gz UKYZDLJTRIFMDF-STQMWFEESA-N 0 0 324.425 0.637 10 0 DCAERN CCCC(=O)NCC(=O)N(CCO)Cc1ccccc1OC ZINC000063779864 286903060 /nfs/dbraw/zinc/90/30/60/286903060.db2.gz GNRSZMPJAZLKHN-UHFFFAOYSA-N 0 0 308.378 0.932 10 0 DCAERN Cn1c2[nH]c(CCC(=O)N3CCCC3(C)C)nc2c(=O)[nH]c1=O ZINC000077355075 286920626 /nfs/dbraw/zinc/92/06/26/286920626.db2.gz JGADVFQIEHIUOG-UHFFFAOYSA-N 0 0 319.365 0.284 10 0 DCAERN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(=O)[nH]n1 ZINC000089989935 286933457 /nfs/dbraw/zinc/93/34/57/286933457.db2.gz REERGQNMOLVNJE-UHFFFAOYSA-N 0 0 311.095 0.885 10 0 DCAERN CCCNC(=O)CNC(=O)NCCCc1c(C)nn(C)c1C ZINC000091595118 286936191 /nfs/dbraw/zinc/93/61/91/286936191.db2.gz VTUSQEZQADARSQ-UHFFFAOYSA-N 0 0 309.414 0.795 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000119129634 286946899 /nfs/dbraw/zinc/94/68/99/286946899.db2.gz WZRHLZSTRVJDPA-NQBHXWOUSA-N 0 0 308.444 0.727 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000120196318 286951064 /nfs/dbraw/zinc/95/10/64/286951064.db2.gz FJXKNMGTOYTNDG-MWLCHTKSSA-N 0 0 322.365 0.644 10 0 DCAERN CCCCNC(=O)[C@H]1CCCN(c2cncc(OCCO)n2)C1 ZINC000132086357 287003454 /nfs/dbraw/zinc/00/34/54/287003454.db2.gz QJCBHMHYGYKRNW-ZDUSSCGKSA-N 0 0 322.409 0.980 10 0 DCAERN C[C@H](C[NH+]1CCN(CCS(N)(=O)=O)CC1)c1ccccc1 ZINC000132105472 287003547 /nfs/dbraw/zinc/00/35/47/287003547.db2.gz KVEJYVBSTCYQFQ-CQSZACIVSA-N 0 0 311.451 0.696 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000133056901 287008829 /nfs/dbraw/zinc/00/88/29/287008829.db2.gz HAVQCQRKAJPXMI-UHFFFAOYSA-N 0 0 314.301 0.821 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000134485469 287016468 /nfs/dbraw/zinc/01/64/68/287016468.db2.gz WLAOGRCNFMFDCD-UONOGXRCSA-N 0 0 324.425 0.113 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCc1ccc(OC)nc1 ZINC000133757258 287012817 /nfs/dbraw/zinc/01/28/17/287012817.db2.gz DQNIFNYGHOUHRP-UHFFFAOYSA-N 0 0 317.349 0.952 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCOC1 ZINC000135064641 287019836 /nfs/dbraw/zinc/01/98/36/287019836.db2.gz LJXQDPZVMUGYKJ-AAEUAGOBSA-N 0 0 301.346 0.938 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCN(CC(F)F)CC2)C1 ZINC000135074708 287020133 /nfs/dbraw/zinc/02/01/33/287020133.db2.gz RJOWNJQKANNSJO-NSHDSACASA-N 0 0 318.368 0.590 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000135697186 287024090 /nfs/dbraw/zinc/02/40/90/287024090.db2.gz LSCYELVEJSZPHS-BFHYXJOUSA-N 0 0 320.455 0.536 10 0 DCAERN CC[C@]1(C)CN(C(=O)Cn2cnc3c(cnn3C)c2=O)CCO1 ZINC000135275061 287021212 /nfs/dbraw/zinc/02/12/12/287021212.db2.gz RIMSVMOMDHJOGJ-OAHLLOKOSA-N 0 0 319.365 0.158 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000135349978 287021620 /nfs/dbraw/zinc/02/16/20/287021620.db2.gz CMXIZLAEBXOQEC-BPNZPQAUSA-N 0 0 308.378 0.391 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000135651785 287023799 /nfs/dbraw/zinc/02/37/99/287023799.db2.gz JTVUSCODPUVCHE-RYUDHWBXSA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)Cn1ccnc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000150126615 287030400 /nfs/dbraw/zinc/03/04/00/287030400.db2.gz VPTDCQOKWUVARC-UHFFFAOYSA-N 0 0 305.338 0.038 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)[nH]n1 ZINC000152826900 287044469 /nfs/dbraw/zinc/04/44/69/287044469.db2.gz RTWKKQSXXNVZSS-ZMLRMANQSA-N 0 0 307.398 0.992 10 0 DCAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C)C(=O)C1 ZINC000152970112 287045559 /nfs/dbraw/zinc/04/55/59/287045559.db2.gz AZWZTCWTJUVHGF-UHFFFAOYSA-N 0 0 306.410 0.999 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000153479421 287050552 /nfs/dbraw/zinc/05/05/52/287050552.db2.gz RVANSYKZXUTYDI-YNEHKIRRSA-N 0 0 302.330 0.720 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000153520184 287050941 /nfs/dbraw/zinc/05/09/41/287050941.db2.gz AIYFWOFPQIWDMV-MNOVXSKESA-N 0 0 321.381 0.392 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187136988 287058620 /nfs/dbraw/zinc/05/86/20/287058620.db2.gz JJUFOIZCTZRZLT-GHMZBOCLSA-N 0 0 320.397 0.548 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCNC(=O)C(C)C ZINC000192746969 287059786 /nfs/dbraw/zinc/05/97/86/287059786.db2.gz WKEIIIABPYCHBZ-UHFFFAOYSA-N 0 0 309.414 0.651 10 0 DCAERN CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000245540534 287070555 /nfs/dbraw/zinc/07/05/55/287070555.db2.gz KHYYETCLPGZJMS-XQQFMLRXSA-N 0 0 322.471 0.973 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000245553444 287070635 /nfs/dbraw/zinc/07/06/35/287070635.db2.gz QMQCQOIIECIWCR-UTUOFQBUSA-N 0 0 306.428 0.888 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000245670328 287071790 /nfs/dbraw/zinc/07/17/90/287071790.db2.gz RZMAICYFMKGLEZ-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408354310 292511697 /nfs/dbraw/zinc/51/16/97/292511697.db2.gz JMMXAPPPJQRZGK-JHJVBQTASA-N 0 0 322.427 0.078 10 0 DCAERN CC[C@H](CCO)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245933646 287074282 /nfs/dbraw/zinc/07/42/82/287074282.db2.gz RAABVMQOKBPJST-IPYPFGDCSA-N 0 0 305.378 0.878 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)[C@H](O)Cc1ccccc1 ZINC000246074098 287076216 /nfs/dbraw/zinc/07/62/16/287076216.db2.gz DPUPWORAMVWBAU-AEGPPILISA-N 0 0 319.405 0.899 10 0 DCAERN COCCN([C@@H]1CCOC1)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000408353399 292511488 /nfs/dbraw/zinc/51/14/88/292511488.db2.gz BBAYLVSAFMTOKG-MGPQQGTHSA-N 0 0 320.455 0.946 10 0 DCAERN CC[C@H](NC(=O)C1C[C@H](C)O[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000246479587 287083920 /nfs/dbraw/zinc/08/39/20/287083920.db2.gz OULCGXDLQHBFFZ-OBJOEFQTSA-N 0 0 312.410 0.944 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000246471290 287084118 /nfs/dbraw/zinc/08/41/18/287084118.db2.gz WGHHFCDHYALZDE-UONOGXRCSA-N 0 0 319.471 0.614 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CC)CCO ZINC000246953556 287089191 /nfs/dbraw/zinc/08/91/91/287089191.db2.gz XFGSJUYKVYDZGP-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000246954963 287089364 /nfs/dbraw/zinc/08/93/64/287089364.db2.gz FVMPSGGUUKPSFO-XQQFMLRXSA-N 0 0 302.440 0.610 10 0 DCAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000246576041 287085666 /nfs/dbraw/zinc/08/56/66/287085666.db2.gz RVANSYKZXUTYDI-XQQFMLRXSA-N 0 0 302.330 0.720 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246676609 287086692 /nfs/dbraw/zinc/08/66/92/287086692.db2.gz IHBKAPDTVUCGKB-KGLIPLIRSA-N 0 0 313.442 0.452 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000246700477 287086866 /nfs/dbraw/zinc/08/68/66/287086866.db2.gz QWTZKGFJLUIAKT-ZIBATOQPSA-N 0 0 304.346 0.952 10 0 DCAERN C[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)O1 ZINC000247458769 287093895 /nfs/dbraw/zinc/09/38/95/287093895.db2.gz QFSSFPBKAHSBOU-IJLUTSLNSA-N 0 0 304.412 0.484 10 0 DCAERN NC(=O)[C@@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000247094190 287091005 /nfs/dbraw/zinc/09/10/05/287091005.db2.gz UKNBQKPYQYIUQI-UWVGGRQHSA-N 0 0 307.316 0.737 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000247152613 287091325 /nfs/dbraw/zinc/09/13/25/287091325.db2.gz UHYZQQLMKUUIHI-QWHCGFSZSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000248440310 287096864 /nfs/dbraw/zinc/09/68/64/287096864.db2.gz DABAHUZPWIQORV-PZZDIQNFSA-N 0 0 302.318 0.462 10 0 DCAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COCc2ccco2)n1 ZINC000249298823 287108695 /nfs/dbraw/zinc/10/86/95/287108695.db2.gz NRHMWBKUMNYHOZ-TZMCWYRMSA-N 0 0 323.349 0.922 10 0 DCAERN C[C@@H]1CC(C(=O)N2CCCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000093920893 287204258 /nfs/dbraw/zinc/20/42/58/287204258.db2.gz XOLBWUUQGCHOPR-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN CC(=O)N(C)CC(=O)N1CC[C@H](OCc2c(C)noc2C)C1 ZINC000368866261 287222970 /nfs/dbraw/zinc/22/29/70/287222970.db2.gz GRXJUSMZJBBCFY-ZDUSSCGKSA-N 0 0 309.366 0.887 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374707728 287226569 /nfs/dbraw/zinc/22/65/69/287226569.db2.gz QPGDSLKRKHJYSO-VXGBXAGGSA-N 0 0 306.428 0.340 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000408355175 287233671 /nfs/dbraw/zinc/23/36/71/287233671.db2.gz LKTXEICOAAWZMB-SRVKXCTJSA-N 0 0 320.397 0.765 10 0 DCAERN CCCOc1nccnc1N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000624394189 411755927 /nfs/dbraw/zinc/75/59/27/411755927.db2.gz XGAZLVUAMMUOOF-NXEZZACHSA-N 0 0 301.368 0.489 10 0 DCAERN CN(C)C(=O)Cn1cnc(NC(=O)NCCOCC2CCC2)n1 ZINC000515466126 412281214 /nfs/dbraw/zinc/28/12/14/412281214.db2.gz LYMNYOZSKIIFPC-UHFFFAOYSA-N 0 0 324.385 0.305 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000544315351 412325502 /nfs/dbraw/zinc/32/55/02/412325502.db2.gz QLCNLJMLUSUBDQ-SECBINFHSA-N 0 0 310.358 0.012 10 0 DCAERN O=C(Nc1ccc(Br)cc1)C(=O)Nn1cnnc1 ZINC000015773153 415151191 /nfs/dbraw/zinc/15/11/91/415151191.db2.gz GXQGORKQLCJCML-UHFFFAOYSA-N 0 0 310.111 0.749 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N2CCC(C(N)=O)CC2)cc1C ZINC000026536057 415168412 /nfs/dbraw/zinc/16/84/12/415168412.db2.gz FYGQQJMGPQEOJG-UHFFFAOYSA-N 0 0 317.389 0.757 10 0 DCAERN Cc1oc(C(=O)N2CCN(C3CC3)CC2)cc1S(N)(=O)=O ZINC000268197504 415176360 /nfs/dbraw/zinc/17/63/60/415176360.db2.gz YHUINEQDSNYRGN-UHFFFAOYSA-N 0 0 313.379 0.156 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(Br)c1 ZINC000037846160 415195383 /nfs/dbraw/zinc/19/53/83/415195383.db2.gz RCXXORDTRFRONM-ZJUUUORDSA-N 0 0 313.151 0.510 10 0 DCAERN Cc1[nH]nc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1C ZINC000272055476 415272691 /nfs/dbraw/zinc/27/26/91/415272691.db2.gz VLQVNXYSMNAHBC-QMMMGPOBSA-N 0 0 300.384 0.132 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)C2CCCC2)C[C@@H](C)O1 ZINC000352560256 415227101 /nfs/dbraw/zinc/22/71/01/415227101.db2.gz OQYDMINZGASFDH-NQBHXWOUSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000049042097 415302864 /nfs/dbraw/zinc/30/28/64/415302864.db2.gz GIODGHXCSJTXGK-JTQLQIEISA-N 0 0 302.371 0.764 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCc2ccccc2)cn1 ZINC000056342628 415331938 /nfs/dbraw/zinc/33/19/38/415331938.db2.gz SJVBWLZPCKPBMJ-UHFFFAOYSA-N 0 0 301.350 0.993 10 0 DCAERN CN(CCc1ccc(F)cc1)C(=O)CCNS(C)(=O)=O ZINC000056986872 415336867 /nfs/dbraw/zinc/33/68/67/415336867.db2.gz SDIJOADFELKLQZ-UHFFFAOYSA-N 0 0 302.371 0.766 10 0 DCAERN CNC(=O)CN1CCN(C(=O)CSc2ccccc2C)CC1 ZINC000060782647 415346142 /nfs/dbraw/zinc/34/61/42/415346142.db2.gz BFMDACRFYANFJQ-UHFFFAOYSA-N 0 0 321.446 0.977 10 0 DCAERN C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000069872555 415406775 /nfs/dbraw/zinc/40/67/75/415406775.db2.gz VELICYUMLTXFTQ-MNOVXSKESA-N 0 0 312.457 0.328 10 0 DCAERN CCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000073135011 415420227 /nfs/dbraw/zinc/42/02/27/415420227.db2.gz HQQNGNIVJMCDBT-QMMMGPOBSA-N 0 0 304.393 0.435 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000074376094 415427593 /nfs/dbraw/zinc/42/75/93/415427593.db2.gz MELLNZYXEOBQOV-NEPJUHHUSA-N 0 0 310.398 0.260 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275380098 415374613 /nfs/dbraw/zinc/37/46/13/415374613.db2.gz ZBCWMJWSKALTAP-KWCYVHTRSA-N 0 0 303.366 0.899 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000080422572 415481009 /nfs/dbraw/zinc/48/10/09/415481009.db2.gz KEOMKDUSRWKPJX-LLVKDONJSA-N 0 0 316.361 0.457 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000083088566 415487250 /nfs/dbraw/zinc/48/72/50/415487250.db2.gz HKCPQDGFWGXGHY-UHFFFAOYSA-N 0 0 308.762 0.987 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000332863018 415497138 /nfs/dbraw/zinc/49/71/38/415497138.db2.gz GEPGLTJXMVKWAY-NEPJUHHUSA-N 0 0 303.428 0.347 10 0 DCAERN CCN1CCCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1=O ZINC000276150500 415439504 /nfs/dbraw/zinc/43/95/04/415439504.db2.gz CXCLQZXHOVYQFQ-GFCCVEGCSA-N 0 0 320.393 0.618 10 0 DCAERN CC(=O)NC1CN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)C1 ZINC000276219863 415453452 /nfs/dbraw/zinc/45/34/52/415453452.db2.gz QIXVWPFYDTURNF-UHFFFAOYSA-N 0 0 306.366 0.749 10 0 DCAERN Cc1noc(CCNC(=O)C(=O)Nc2cc(F)ccc2F)n1 ZINC000077834453 415461110 /nfs/dbraw/zinc/46/11/10/415461110.db2.gz OUAVMYZQCCPKCT-UHFFFAOYSA-N 0 0 310.260 0.954 10 0 DCAERN O=S(=O)(NC[C@H](O)CO)c1cccc(Br)c1 ZINC000085245089 415505749 /nfs/dbraw/zinc/50/57/49/415505749.db2.gz WUTHLXZKQBJWEK-QMMMGPOBSA-N 0 0 310.169 0.081 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000333003520 415526075 /nfs/dbraw/zinc/52/60/75/415526075.db2.gz JGRBTSDCWFBONJ-MNOVXSKESA-N 0 0 308.407 0.626 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1ccc(Br)cc1O ZINC000090287212 415532572 /nfs/dbraw/zinc/53/25/72/415532572.db2.gz YSPKTIPEFRCMKO-NSHDSACASA-N 0 0 304.140 0.628 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(CC)c2)C1 ZINC000091414157 415535726 /nfs/dbraw/zinc/53/57/26/415535726.db2.gz VHDDBOAGVITDHW-UHFFFAOYSA-N 0 0 303.362 0.782 10 0 DCAERN CCOC(=O)CN(C[C@H]1CCCN(S(C)(=O)=O)C1)C1CC1 ZINC000093701134 415542182 /nfs/dbraw/zinc/54/21/82/415542182.db2.gz AHAUDMYZDZBJCW-GFCCVEGCSA-N 0 0 318.439 0.686 10 0 DCAERN CCOc1nc2ccccc2nc1N1CC[NH2+][C@@H](C(=O)[O-])C1 ZINC000095091810 415548690 /nfs/dbraw/zinc/54/86/90/415548690.db2.gz LMCKOZMHRXMEAP-GFCCVEGCSA-N 0 0 302.334 0.891 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)no1 ZINC000333095274 415557388 /nfs/dbraw/zinc/55/73/88/415557388.db2.gz OYVGRZFOXJBKPR-IEBDPFPHSA-N 0 0 307.354 0.892 10 0 DCAERN COC[C@H]1CN(Cc2nnn(CC(F)(F)F)n2)CC(C)(C)O1 ZINC000343339062 415562886 /nfs/dbraw/zinc/56/28/86/415562886.db2.gz KLZXVSIEMUKZLL-SECBINFHSA-N 0 0 323.319 0.861 10 0 DCAERN CCCN1CCCN(C(=O)N=c2nc[nH]n2C(C)C)CC1=O ZINC000333133779 415567295 /nfs/dbraw/zinc/56/72/95/415567295.db2.gz CATSVSKJAXGTEI-UHFFFAOYSA-N 0 0 308.386 0.757 10 0 DCAERN O=C(Nc1nn[nH]n1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000102894798 415601351 /nfs/dbraw/zinc/60/13/51/415601351.db2.gz DNEYNXHPOSBXDY-NSHDSACASA-N 0 0 300.322 0.229 10 0 DCAERN O=C(CN1CC(=O)N(C2CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000333319211 415610006 /nfs/dbraw/zinc/61/00/06/415610006.db2.gz PBZNIDDOGLMBMT-ZIAGYGMSSA-N 0 0 307.394 0.421 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCNC(=O)CC2)c1 ZINC000103230991 415614200 /nfs/dbraw/zinc/61/42/00/415614200.db2.gz HLYFRJBYVIFKMI-AWEZNQCLSA-N 0 0 306.362 0.451 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2O)C1 ZINC000343489458 415616492 /nfs/dbraw/zinc/61/64/92/415616492.db2.gz ZTUFMWVMQJTIOR-IJLUTSLNSA-N 0 0 304.412 0.078 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104790077 415626991 /nfs/dbraw/zinc/62/69/91/415626991.db2.gz WBDUHMYYWFPTLJ-ZDUSSCGKSA-N 0 0 314.430 0.265 10 0 DCAERN CCn1cncc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000333395866 415636213 /nfs/dbraw/zinc/63/62/13/415636213.db2.gz DRWNIKKUFLIEQJ-GMTAPVOTSA-N 0 0 312.395 0.191 10 0 DCAERN CCn1cnnc1C1CCN(CC(=O)N2CCOCC2)CC1 ZINC000105929576 415638959 /nfs/dbraw/zinc/63/89/59/415638959.db2.gz PZGJZWONXVKJMA-UHFFFAOYSA-N 0 0 307.398 0.336 10 0 DCAERN C[C@@H]1C[C@H]1c1nnc2ccc(N[C@@H]3CCC(=O)N(C)C3=O)nn21 ZINC000333420102 415644911 /nfs/dbraw/zinc/64/49/11/415644911.db2.gz IYDAWICCDCESIO-OPRDCNLKSA-N 0 0 314.349 0.807 10 0 DCAERN O=S(=O)(NCC1(N2CCOCC2)CC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333230535 415588369 /nfs/dbraw/zinc/58/83/69/415588369.db2.gz YDNRPTJXCBEZAC-RDBSUJKOSA-N 0 0 314.451 0.959 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3COc4ccccc4O3)C[C@H]21 ZINC000283997308 415593520 /nfs/dbraw/zinc/59/35/20/415593520.db2.gz IEKPSRMFSBDRRO-XJKCOSOUSA-N 0 0 318.373 0.758 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000333592427 415691168 /nfs/dbraw/zinc/69/11/68/415691168.db2.gz LIERPOVANOUXBI-AVGNSLFASA-N 0 0 323.397 0.949 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCn3ncnc32)CC1 ZINC000287843947 415674365 /nfs/dbraw/zinc/67/43/65/415674365.db2.gz QOWCPDSSLKFJCV-RYUDHWBXSA-N 0 0 305.382 0.878 10 0 DCAERN Cn1c(=O)n2c(c1C(=O)NC[C@@H]1CCCC[C@H]1O)CCCC2 ZINC000333538957 415675824 /nfs/dbraw/zinc/67/58/24/415675824.db2.gz KSIUHYURCMKPBI-WCQYABFASA-N 0 0 307.394 0.804 10 0 DCAERN COC(=O)CCCc1nc(CN2C[C@H](C(N)=O)CC[C@@H]2C)no1 ZINC000111220865 415690614 /nfs/dbraw/zinc/69/06/14/415690614.db2.gz LGUQWERAPFJWFZ-WDEREUQCSA-N 0 0 324.381 0.651 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](CO)C1)CC2 ZINC000114976663 415724199 /nfs/dbraw/zinc/72/41/99/415724199.db2.gz UZXXBHWUAZRODD-NEPJUHHUSA-N 0 0 307.398 0.569 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2c(C)onc2N)CC(C)(C)O1 ZINC000289868873 415727163 /nfs/dbraw/zinc/72/71/63/415727163.db2.gz NPODHZHGZIZSDX-VIFPVBQESA-N 0 0 319.383 0.380 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315286 415729036 /nfs/dbraw/zinc/72/90/36/415729036.db2.gz PABXHEPNIIZXKO-AWEZNQCLSA-N 0 0 316.409 0.602 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCc2ccccc2C1=O)N1CCN(C)CC1 ZINC000333759287 415729960 /nfs/dbraw/zinc/72/99/60/415729960.db2.gz VHUFMMAPBZXPSI-CZUORRHYSA-N 0 0 315.417 0.936 10 0 DCAERN CCNC(=O)CCCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112117915 415705250 /nfs/dbraw/zinc/70/52/50/415705250.db2.gz ZQXMQZQCZYKDII-CQSZACIVSA-N 0 0 322.409 0.725 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CCc3ncnn3C1)c2=O ZINC000112657668 415713432 /nfs/dbraw/zinc/71/34/32/415713432.db2.gz XRUNTDWSFJMVBS-NSHDSACASA-N 0 0 324.344 0.339 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)nn1 ZINC000290108023 415762684 /nfs/dbraw/zinc/76/26/84/415762684.db2.gz KWEXUYQRZMGVAR-LBPRGKRZSA-N 0 0 317.324 0.485 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000122528147 415836832 /nfs/dbraw/zinc/83/68/32/415836832.db2.gz WJGGILUBMHZXQD-LLVKDONJSA-N 0 0 318.333 0.874 10 0 DCAERN CC(=O)NCCNc1ncc(I)cn1 ZINC000123113087 415837610 /nfs/dbraw/zinc/83/76/10/415837610.db2.gz QEQHPMMGMMWIMS-UHFFFAOYSA-N 0 0 306.107 0.629 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000121865243 415820492 /nfs/dbraw/zinc/82/04/92/415820492.db2.gz YTKIULLSPYMOSF-LLVKDONJSA-N 0 0 310.375 0.579 10 0 DCAERN CCc1nc(CC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cs1 ZINC000122165809 415825331 /nfs/dbraw/zinc/82/53/31/415825331.db2.gz GWLPOZNMRNUKFM-VIFPVBQESA-N 0 0 302.421 0.894 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC(CO)C1 ZINC000122197288 415826249 /nfs/dbraw/zinc/82/62/49/415826249.db2.gz TZYHCMPICSRYCO-LBPRGKRZSA-N 0 0 304.412 0.031 10 0 DCAERN CCOC(=O)COCCN1CCC(CS(C)(=O)=O)CC1 ZINC000336831183 415826765 /nfs/dbraw/zinc/82/67/65/415826765.db2.gz INYHRCVGTBYEIE-UHFFFAOYSA-N 0 0 307.412 0.323 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccncc1Br ZINC000344271640 415879255 /nfs/dbraw/zinc/87/92/55/415879255.db2.gz ZDJGAUKGPCIREQ-MRVPVSSYSA-N 0 0 312.123 0.379 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN(C(C)=O)C3)[C@H]2C1 ZINC000127152436 415884552 /nfs/dbraw/zinc/88/45/52/415884552.db2.gz QVMMTZHLOFNCEO-XGUBFFRZSA-N 0 0 310.394 0.650 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000131077889 415928008 /nfs/dbraw/zinc/92/80/08/415928008.db2.gz HORZHUIUTRGPMB-NSHDSACASA-N 0 0 315.395 0.971 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1CC(F)F ZINC000125241403 415861977 /nfs/dbraw/zinc/86/19/77/415861977.db2.gz YDWHBVOENAHHQS-GHMZBOCLSA-N 0 0 324.393 0.609 10 0 DCAERN O=C(CNC(=O)[C@H]1CCCc2n[nH]cc21)NCC(F)(F)F ZINC000133281595 415943710 /nfs/dbraw/zinc/94/37/10/415943710.db2.gz LWEXTRIVEXCQRP-ZETCQYMHSA-N 0 0 304.272 0.624 10 0 DCAERN C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000133394303 415946778 /nfs/dbraw/zinc/94/67/78/415946778.db2.gz MQUCFLDQSWPSNO-MNOVXSKESA-N 0 0 312.457 0.376 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)Nc2nn[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000135109605 415958054 /nfs/dbraw/zinc/95/80/54/415958054.db2.gz NIRXJZQBTBJEEE-KOLCDFICSA-N 0 0 304.285 0.497 10 0 DCAERN O=C1NC[C@@H]2CN(Cc3ccc4ccccc4n3)CCN2C1=O ZINC000137937672 415961948 /nfs/dbraw/zinc/96/19/48/415961948.db2.gz HNHJYIJPWLNUJX-CQSZACIVSA-N 0 0 310.357 0.377 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000152568969 415967506 /nfs/dbraw/zinc/96/75/06/415967506.db2.gz AFGMWUZMGIDPHB-OAHLLOKOSA-N 0 0 319.405 0.912 10 0 DCAERN CCNC(=O)CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000158658453 416001602 /nfs/dbraw/zinc/00/16/02/416001602.db2.gz BMIRPUKWVMADRB-SSDOTTSWSA-N 0 0 318.299 0.786 10 0 DCAERN O=C(CCc1nc(C2CCCC2)no1)N[C@@H]1CCC(=O)NC1=O ZINC000153388679 415980563 /nfs/dbraw/zinc/98/05/63/415980563.db2.gz YEMZPKHJDWPDNI-SNVBAGLBSA-N 0 0 320.349 0.581 10 0 DCAERN Cc1cc(F)cc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000153376240 415980766 /nfs/dbraw/zinc/98/07/66/415980766.db2.gz YDXCUFXTMSZPOZ-NSHDSACASA-N 0 0 307.325 0.810 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCCC(=O)N(C)C)CC2 ZINC000156827300 415998094 /nfs/dbraw/zinc/99/80/94/415998094.db2.gz ILJJUASCMMSLSA-LLVKDONJSA-N 0 0 322.413 0.494 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172137491 416043565 /nfs/dbraw/zinc/04/35/65/416043565.db2.gz BXQBTUUXQWDWJD-WSMDXJOWSA-N 0 0 304.412 0.222 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000172439060 416045405 /nfs/dbraw/zinc/04/54/05/416045405.db2.gz DGICZGWEWHSOMZ-DGCLKSJQSA-N 0 0 324.425 0.779 10 0 DCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)NCc1nccn1C(F)F ZINC000357241804 416051890 /nfs/dbraw/zinc/05/18/90/416051890.db2.gz AAADZLSAHBIBBF-RKDXNWHRSA-N 0 0 316.308 0.124 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CC(C)(CO)CO ZINC000357251667 416053140 /nfs/dbraw/zinc/05/31/40/416053140.db2.gz CFOJXEBEZZSQKB-GFCCVEGCSA-N 0 0 308.378 0.254 10 0 DCAERN O=S(=O)(CC1CCOCC1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000173194430 416054496 /nfs/dbraw/zinc/05/44/96/416054496.db2.gz LZUFYMYWKJUDAU-CABCVRRESA-N 0 0 311.403 0.991 10 0 DCAERN COCCN(C)S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000173359101 416056568 /nfs/dbraw/zinc/05/65/68/416056568.db2.gz GQCHCBLNNAJTRF-CYBMUJFWSA-N 0 0 316.427 0.479 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173516133 416060802 /nfs/dbraw/zinc/06/08/02/416060802.db2.gz BZXPJWVCDRJUSZ-JTQLQIEISA-N 0 0 309.370 0.175 10 0 DCAERN CCc1nc(C2(NCC(=O)NC(=O)NC3CC3)CCCC2)no1 ZINC000173695316 416064228 /nfs/dbraw/zinc/06/42/28/416064228.db2.gz ZEOPSIWWFROVOZ-UHFFFAOYSA-N 0 0 321.381 0.979 10 0 DCAERN Cn1cc(CCCNC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000173800282 416066289 /nfs/dbraw/zinc/06/62/89/416066289.db2.gz LGPWJNLGXBUAMO-OAHLLOKOSA-N 0 0 321.425 0.469 10 0 DCAERN COCCOC[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C)C2)C1 ZINC000173852859 416067941 /nfs/dbraw/zinc/06/79/41/416067941.db2.gz GRFNIDXPPUWEJU-KBPBESRZSA-N 0 0 320.455 0.948 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000173976220 416069564 /nfs/dbraw/zinc/06/95/64/416069564.db2.gz BKCPCIDCJQXUJY-VXGBXAGGSA-N 0 0 312.414 0.506 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174146561 416073786 /nfs/dbraw/zinc/07/37/86/416073786.db2.gz JMUWAIHIPVAEHH-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN COc1c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)nn1C ZINC000174287181 416075290 /nfs/dbraw/zinc/07/52/90/416075290.db2.gz XYAFNBLPVPNKRM-GHMZBOCLSA-N 0 0 310.398 0.264 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)NC[C@H](O)C(C)C)c1 ZINC000158842952 416003139 /nfs/dbraw/zinc/00/31/39/416003139.db2.gz NODVYXRNDWRYQL-NSHDSACASA-N 0 0 303.380 0.999 10 0 DCAERN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](O)C(C)C)c1 ZINC000158842789 416003612 /nfs/dbraw/zinc/00/36/12/416003612.db2.gz NODVYXRNDWRYQL-LLVKDONJSA-N 0 0 303.380 0.999 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000159104143 416007252 /nfs/dbraw/zinc/00/72/52/416007252.db2.gz MRYOIYKWVLHNGF-IINYFYTJSA-N 0 0 321.425 0.888 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1CO)CC2 ZINC000161531805 416012389 /nfs/dbraw/zinc/01/23/89/416012389.db2.gz CYSLQAZDUQQICO-RYUDHWBXSA-N 0 0 307.398 0.883 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000345017173 416028196 /nfs/dbraw/zinc/02/81/96/416028196.db2.gz FSWUMFDVOKAYJI-UHFFFAOYSA-N 0 0 316.317 0.570 10 0 DCAERN C[C@@H](CNC(=O)NCCc1cccc(O)c1)N1CCOCC1 ZINC000170696517 416028597 /nfs/dbraw/zinc/02/85/97/416028597.db2.gz GXXUJRUMWYEFPL-ZDUSSCGKSA-N 0 0 307.394 0.955 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2cccnn2)CC1 ZINC000170836568 416033539 /nfs/dbraw/zinc/03/35/39/416033539.db2.gz UQZXOCRGAHBCMY-LBPRGKRZSA-N 0 0 313.365 0.416 10 0 DCAERN CC(=O)NCC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171594590 416039676 /nfs/dbraw/zinc/03/96/76/416039676.db2.gz VIYNVQMAFVRDIF-HNNXBMFYSA-N 0 0 305.378 0.000 10 0 DCAERN O=C1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)CN1C1CC1 ZINC000301484267 416083492 /nfs/dbraw/zinc/08/34/92/416083492.db2.gz GNVKNSIPXVBWGI-SECBINFHSA-N 0 0 305.359 0.488 10 0 DCAERN COC(=O)CN1CCN(c2cc(-c3nc(C)no3)ccn2)CC1 ZINC000301524409 416084836 /nfs/dbraw/zinc/08/48/36/416084836.db2.gz MNKOCXNAJCADAO-UHFFFAOYSA-N 0 0 317.349 0.735 10 0 DCAERN CC(C)N1C(=O)C[C@H](Nc2nn3c(nccc3=O)s2)C1=O ZINC000301499727 416085112 /nfs/dbraw/zinc/08/51/12/416085112.db2.gz WJKQANQIQRMLBP-ZETCQYMHSA-N 0 0 307.335 0.099 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CCNC(=O)CC2)c1 ZINC000175001807 416093353 /nfs/dbraw/zinc/09/33/53/416093353.db2.gz HWKFISXTASUGLD-UHFFFAOYSA-N 0 0 300.384 0.050 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnsn3)C2=O)n(C)n1 ZINC000174997601 416093863 /nfs/dbraw/zinc/09/38/63/416093863.db2.gz YNAQWUKKNMLFAP-VIFPVBQESA-N 0 0 320.378 0.505 10 0 DCAERN CC1(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCC1 ZINC000175100880 416095747 /nfs/dbraw/zinc/09/57/47/416095747.db2.gz LJEFRASXCFTDPV-UHFFFAOYSA-N 0 0 309.391 0.790 10 0 DCAERN Cn1cc([C@](C)(O)CNc2ncccc2S(C)(=O)=O)cn1 ZINC000302713861 416096859 /nfs/dbraw/zinc/09/68/59/416096859.db2.gz FCGBFGUCUFPDPD-CYBMUJFWSA-N 0 0 310.379 0.538 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000175121356 416098111 /nfs/dbraw/zinc/09/81/11/416098111.db2.gz YQTHSRORMLQWBF-GFCCVEGCSA-N 0 0 317.397 0.945 10 0 DCAERN CC(C)(NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)C(N)=O ZINC000175207753 416098537 /nfs/dbraw/zinc/09/85/37/416098537.db2.gz PVICRLFSHUGMJK-AWEZNQCLSA-N 0 0 319.405 0.658 10 0 DCAERN CNS(=O)(=O)CC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000175205202 416099192 /nfs/dbraw/zinc/09/91/92/416099192.db2.gz RYCSFFAHWJYMTL-AAEUAGOBSA-N 0 0 312.391 0.524 10 0 DCAERN CNS(=O)(=O)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000175219791 416101116 /nfs/dbraw/zinc/10/11/16/416101116.db2.gz QVCYDNNYTYYSJU-NSHDSACASA-N 0 0 300.380 0.257 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NCCC(N)=O)[C@H]1c1ccccc1 ZINC000175431505 416105291 /nfs/dbraw/zinc/10/52/91/416105291.db2.gz XWWVILGXBRIHRR-SWLSCSKDSA-N 0 0 303.362 0.588 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCC(N)=O ZINC000175444635 416105941 /nfs/dbraw/zinc/10/59/41/416105941.db2.gz LGEOCTXFGUVDPP-FZMZJTMJSA-N 0 0 305.378 0.823 10 0 DCAERN CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000357628207 416108206 /nfs/dbraw/zinc/10/82/06/416108206.db2.gz BWWFUVZSABNPLR-NSHDSACASA-N 0 0 319.361 0.906 10 0 DCAERN O=C(NC[C@@]1(CCO)CCOC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000178091151 416156076 /nfs/dbraw/zinc/15/60/76/416156076.db2.gz MWSNXTZQPKGLDO-OAHLLOKOSA-N 0 0 305.334 0.375 10 0 DCAERN CCOCCNC(=O)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000175969152 416119423 /nfs/dbraw/zinc/11/94/23/416119423.db2.gz FPIXFYSLOQCOIL-OAHLLOKOSA-N 0 0 313.442 0.326 10 0 DCAERN COC[C@@H](CO)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 ZINC000357710340 416119775 /nfs/dbraw/zinc/11/97/75/416119775.db2.gz RXXXARDEMYXONA-RHSMWYFYSA-N 0 0 320.389 0.805 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)NC[C@@H]1CCn2ccnc2C1 ZINC000328618979 416123381 /nfs/dbraw/zinc/12/33/81/416123381.db2.gz FJSGEWHWFPUYBN-OLZOCXBDSA-N 0 0 313.423 0.934 10 0 DCAERN O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1CCCn2ncnc21 ZINC000176366759 416124384 /nfs/dbraw/zinc/12/43/84/416124384.db2.gz JGFOMJAKAUBZER-QWHCGFSZSA-N 0 0 323.397 0.998 10 0 DCAERN Cc1csc(NC(=O)CN2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000357742731 416125233 /nfs/dbraw/zinc/12/52/33/416125233.db2.gz SHMOTJQFFQQXKA-UHFFFAOYSA-N 0 0 320.422 0.931 10 0 DCAERN CCN1CCO[C@H](C(=O)NCC2CCC3(CC2)OCCO3)C1 ZINC000176505086 416127507 /nfs/dbraw/zinc/12/75/07/416127507.db2.gz BIFWYQLTLRZMIL-AWEZNQCLSA-N 0 0 312.410 0.757 10 0 DCAERN C[C@@H](CNC(=O)CC1(CS(C)(=O)=O)CC1)N1CCOCC1 ZINC000176532879 416128293 /nfs/dbraw/zinc/12/82/93/416128293.db2.gz BCQWIQSHFYMKFC-LBPRGKRZSA-N 0 0 318.439 0.038 10 0 DCAERN C[C@H]1N(C(=O)NCC(=O)NCC(F)(F)F)CCOC1(C)C ZINC000357771498 416130136 /nfs/dbraw/zinc/13/01/36/416130136.db2.gz VWBBMQYXQVKEJE-MRVPVSSYSA-N 0 0 311.304 0.874 10 0 DCAERN CCc1cnc(CN(C)C(=O)CN(C)S(=O)(=O)CC)s1 ZINC000177041579 416139852 /nfs/dbraw/zinc/13/98/52/416139852.db2.gz WRTXYSWFVNXBRY-UHFFFAOYSA-N 0 0 319.452 0.945 10 0 DCAERN C[C@H](CNC(=O)N1CCC[C@@H]1Cn1ccnc1)N1CCOCC1 ZINC000177394593 416144301 /nfs/dbraw/zinc/14/43/01/416144301.db2.gz SJYUOCWZRVSTMZ-HUUCEWRRSA-N 0 0 321.425 0.778 10 0 DCAERN C[C@@H]1CN(C(=O)NC2CCC(O)CC2)C[C@H]1N1CCOCC1 ZINC000177297456 416145089 /nfs/dbraw/zinc/14/50/89/416145089.db2.gz KFROGPQWRKHLSA-XSCHDIRWSA-N 0 0 311.426 0.652 10 0 DCAERN COCCCOC1CN(C(=O)c2sccc2-n2cnnn2)C1 ZINC000177529870 416148028 /nfs/dbraw/zinc/14/80/28/416148028.db2.gz SLPLTVBTADFBCE-UHFFFAOYSA-N 0 0 323.378 0.601 10 0 DCAERN O=S(=O)(Cc1ncc(-c2cccs2)o1)C[C@@H](O)CO ZINC000177670534 416149684 /nfs/dbraw/zinc/14/96/84/416149684.db2.gz LKXBHGZIFDQGRX-QMMMGPOBSA-N 0 0 303.361 0.671 10 0 DCAERN Cc1cccc(-c2noc(CS(=O)(=O)C[C@H](O)CO)n2)c1 ZINC000177670231 416150133 /nfs/dbraw/zinc/15/01/33/416150133.db2.gz YYNXJMIUMCMKKN-LLVKDONJSA-N 0 0 312.347 0.313 10 0 DCAERN COC(=O)C1(CNC(=O)NCCc2cn[nH]c2)CCOCC1 ZINC000357913596 416151447 /nfs/dbraw/zinc/15/14/47/416151447.db2.gz YVRIHIUJZRHKFT-UHFFFAOYSA-N 0 0 310.354 0.221 10 0 DCAERN COc1ccc(CNC(=O)CNC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000178155225 416157406 /nfs/dbraw/zinc/15/74/06/416157406.db2.gz XJGZUSDJGZSMQW-BXUZGUMPSA-N 0 0 306.362 0.995 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(C)C ZINC000178675608 416169202 /nfs/dbraw/zinc/16/92/02/416169202.db2.gz AOIUZJLNPJFZKG-ZDUSSCGKSA-N 0 0 305.378 0.889 10 0 DCAERN Cc1nc(SCC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)n[nH]1 ZINC000178664248 416169287 /nfs/dbraw/zinc/16/92/87/416169287.db2.gz WJQJTCRGTGWAFL-AAEUAGOBSA-N 0 0 304.375 0.980 10 0 DCAERN CNC(=O)[C@@H](NC(=O)COCCOc1ccccc1)C(C)C ZINC000178706645 416169688 /nfs/dbraw/zinc/16/96/88/416169688.db2.gz FEBBKJDRJCRRBD-HNNXBMFYSA-N 0 0 308.378 0.969 10 0 DCAERN CCOc1c(F)cccc1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178720143 416170061 /nfs/dbraw/zinc/17/00/61/416170061.db2.gz WKDDJLQMWDKVMF-GFCCVEGCSA-N 0 0 307.369 0.954 10 0 DCAERN CCN1CCN(C(=O)CNS(=O)(=O)CC)c2ccccc21 ZINC000178729434 416170930 /nfs/dbraw/zinc/17/09/30/416170930.db2.gz CSZLSDVZQCKXEM-UHFFFAOYSA-N 0 0 311.407 0.799 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1ccc(C)c(C(N)=O)c1)C(C)C ZINC000178937956 416177582 /nfs/dbraw/zinc/17/75/82/416177582.db2.gz PIZLHRYGCODPEN-LBPRGKRZSA-N 0 0 306.366 0.986 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(C)C ZINC000178939848 416177915 /nfs/dbraw/zinc/17/79/15/416177915.db2.gz VSIYLWNDDKXZIR-LLVKDONJSA-N 0 0 310.329 0.817 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178963840 416179056 /nfs/dbraw/zinc/17/90/56/416179056.db2.gz RYARMRMYDMTWDL-GFCCVEGCSA-N 0 0 320.368 0.189 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)ccc1F ZINC000178957889 416179561 /nfs/dbraw/zinc/17/95/61/416179561.db2.gz PNWQQITUVZFOGI-CYBMUJFWSA-N 0 0 320.368 0.189 10 0 DCAERN CN(CCC[NH+]1CCN(C)CC1)Cc1nnc(C2CC2)n1C ZINC000179250171 416184450 /nfs/dbraw/zinc/18/44/50/416184450.db2.gz PAZIKDGOBBJMEC-UHFFFAOYSA-N 0 0 306.458 0.762 10 0 DCAERN C[C@H](NC(=O)NCCS(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000179200597 416184885 /nfs/dbraw/zinc/18/48/85/416184885.db2.gz ZODJQIAPGGCIQQ-CMPLNLGQSA-N 0 0 312.391 0.895 10 0 DCAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2c(c1)C(=O)NC2=O ZINC000179215420 416185043 /nfs/dbraw/zinc/18/50/43/416185043.db2.gz YFGFJQDMWOJFRZ-MFKMUULPSA-N 0 0 302.330 0.851 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000180211156 416193487 /nfs/dbraw/zinc/19/34/87/416193487.db2.gz UWELDQDYORVCLT-JTQLQIEISA-N 0 0 318.358 0.531 10 0 DCAERN CN(C)c1nc(C[S@](=O)CC(=O)N(C)CC2CC2)ns1 ZINC000180264536 416195959 /nfs/dbraw/zinc/19/59/59/416195959.db2.gz MPSWKKGUSXMSJM-FQEVSTJZSA-N 0 0 316.452 0.721 10 0 DCAERN CC(C)Oc1ccc(NC(=O)N2CCN(C3CC3)CC2)nn1 ZINC000330264740 416199373 /nfs/dbraw/zinc/19/93/73/416199373.db2.gz YHCUMNBHBAVXGC-UHFFFAOYSA-N 0 0 305.382 1.576 10 0 DCAERN COCCN1C[C@@H](C(=O)N2CCCC[C@@H]2c2nc[nH]n2)CC1=O ZINC000181381534 416206937 /nfs/dbraw/zinc/20/69/37/416206937.db2.gz MOEHOFVFGCKPCJ-NWDGAFQWSA-N 0 0 321.381 0.353 10 0 DCAERN CCNC(=O)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181405082 416207009 /nfs/dbraw/zinc/20/70/09/416207009.db2.gz AZOIROQIQSWCIX-SNVBAGLBSA-N 0 0 308.386 0.152 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)CC2 ZINC000181482326 416208393 /nfs/dbraw/zinc/20/83/93/416208393.db2.gz CZFGCFUFUVPIDU-QWRGUYRKSA-N 0 0 322.413 0.492 10 0 DCAERN CC1CCC2(CC1)OC[C@H](CNC(=O)[C@H]1CN(C)CCO1)O2 ZINC000181470060 416208898 /nfs/dbraw/zinc/20/88/98/416208898.db2.gz TYZVDIRJMIXPRQ-IOSBVQAASA-N 0 0 312.410 0.755 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)CN1CCC(n2cncn2)CC1 ZINC000181650734 416209635 /nfs/dbraw/zinc/20/96/35/416209635.db2.gz XNNACTRTBVYVMO-UHFFFAOYSA-N 0 0 323.397 0.373 10 0 DCAERN CCc1ccc(CNC(=O)N2CCO[C@@H](C(=O)NC)C2)cc1 ZINC000181594666 416209661 /nfs/dbraw/zinc/20/96/61/416209661.db2.gz RNHZEXVPBXFCGL-CQSZACIVSA-N 0 0 305.378 0.905 10 0 DCAERN CCc1nc(CNC(=O)N2CCO[C@@H](C(=O)NC)C2)cs1 ZINC000181619108 416209795 /nfs/dbraw/zinc/20/97/95/416209795.db2.gz NLBIVXFYCACLEX-SNVBAGLBSA-N 0 0 312.395 0.362 10 0 DCAERN CN(C)c1cccnc1CNC(=O)N(C)Cc1nnnn1C ZINC000358191195 416209807 /nfs/dbraw/zinc/20/98/07/416209807.db2.gz OLEUYNQBMVMXFL-UHFFFAOYSA-N 0 0 304.358 0.013 10 0 DCAERN O=C(CNC(=O)N1CC[C@H](Oc2cccnc2)C1)NCC1CC1 ZINC000182018691 416213135 /nfs/dbraw/zinc/21/31/35/416213135.db2.gz OWZMVGQQUSAUME-AWEZNQCLSA-N 0 0 318.377 0.771 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@@H](C)C2 ZINC000182208879 416216210 /nfs/dbraw/zinc/21/62/10/416216210.db2.gz ROKBXDWMEPXKGY-NHYWBVRUSA-N 0 0 300.362 0.940 10 0 DCAERN O=C(Cn1ncc2ccccc2c1=O)NC[C@H](CO)C1CC1 ZINC000358294747 416222213 /nfs/dbraw/zinc/22/22/13/416222213.db2.gz AKDYNOHFZASXAQ-CYBMUJFWSA-N 0 0 301.346 0.531 10 0 DCAERN CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000182425255 416223524 /nfs/dbraw/zinc/22/35/24/416223524.db2.gz FYRLMXPIUBNCEC-LLVKDONJSA-N 0 0 321.381 0.576 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182519829 416224822 /nfs/dbraw/zinc/22/48/22/416224822.db2.gz NWQPJQBCLWVBLS-KGLIPLIRSA-N 0 0 320.393 0.893 10 0 DCAERN C[C@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182535255 416225900 /nfs/dbraw/zinc/22/59/00/416225900.db2.gz ANPAQGRMRGSMIZ-GXTWGEPZSA-N 0 0 320.393 0.989 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000358355583 416227945 /nfs/dbraw/zinc/22/79/45/416227945.db2.gz AMLUSKMKFRZGHB-QWRGUYRKSA-N 0 0 321.443 0.475 10 0 DCAERN COC(=O)Cn1cc(CCN2CCCC[C@H]2c2nc[nH]n2)nn1 ZINC000182708135 416229172 /nfs/dbraw/zinc/22/91/72/416229172.db2.gz URGULIXDNJWGIS-LBPRGKRZSA-N 0 0 319.369 0.339 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N(CCO)C1CC1)c1ccccc1 ZINC000357953175 416158363 /nfs/dbraw/zinc/15/83/63/416158363.db2.gz BWBSDVFWDMHREM-CQSZACIVSA-N 0 0 306.362 0.474 10 0 DCAERN CCOCCN(C)C(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC000357959428 416159596 /nfs/dbraw/zinc/15/95/96/416159596.db2.gz MNNPOWIHLHYLRX-AWEZNQCLSA-N 0 0 308.378 0.985 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C)c1ccccc1 ZINC000357961672 416160562 /nfs/dbraw/zinc/16/05/62/416160562.db2.gz WREXFOVFDFFUGD-SNPRPXQTSA-N 0 0 320.389 0.720 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCC(=O)NC(C)C)no1 ZINC000358463439 416241837 /nfs/dbraw/zinc/24/18/37/416241837.db2.gz HLLCWIXPNFGJJI-SECBINFHSA-N 0 0 313.358 0.491 10 0 DCAERN C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000183591232 416247077 /nfs/dbraw/zinc/24/70/77/416247077.db2.gz KAMNJGQZHQHJQQ-BBRMVZONSA-N 0 0 318.421 0.940 10 0 DCAERN Cn1ccnc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O ZINC000183857418 416251271 /nfs/dbraw/zinc/25/12/71/416251271.db2.gz SEFIWNCKQPXUAH-ABAIWWIYSA-N 0 0 306.366 0.939 10 0 DCAERN CCOC(=O)[C@](C)(O)CNC(=O)Cn1ncc2ccccc21 ZINC000358532234 416252240 /nfs/dbraw/zinc/25/22/40/416252240.db2.gz LKXGIHBRQUXAEJ-OAHLLOKOSA-N 0 0 305.334 0.467 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1cccn1 ZINC000184399431 416252578 /nfs/dbraw/zinc/25/25/78/416252578.db2.gz BMLQSQAHSKSYLP-AAEUAGOBSA-N 0 0 322.390 0.864 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)N[C@@H](C2CC2)C1=O ZINC000349107347 416253124 /nfs/dbraw/zinc/25/31/24/416253124.db2.gz HTUNRJCPNNOQRF-MXWKQRLJSA-N 0 0 300.380 0.673 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)c2ccc(=O)n(C)n2)C12CCOCC2 ZINC000187042642 416258081 /nfs/dbraw/zinc/25/80/81/416258081.db2.gz GXEBHGJULNLVPK-STQMWFEESA-N 0 0 321.377 0.484 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CCN1CCO ZINC000187295888 416260266 /nfs/dbraw/zinc/26/02/66/416260266.db2.gz IAFJGHICEXXNOV-CYBMUJFWSA-N 0 0 319.405 0.527 10 0 DCAERN CC[C@]1(CO)CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000187187945 416261533 /nfs/dbraw/zinc/26/15/33/416261533.db2.gz XSAHCFBMDCMAOJ-DOMZBBRYSA-N 0 0 307.398 0.787 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)C)[C@@H](C)C1 ZINC000358693187 416269559 /nfs/dbraw/zinc/26/95/59/416269559.db2.gz RASYWFQOOJKYJS-GXTWGEPZSA-N 0 0 309.410 0.713 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000183146759 416236501 /nfs/dbraw/zinc/23/65/01/416236501.db2.gz UALLCSHRMAFBGG-STQMWFEESA-N 0 0 323.397 0.564 10 0 DCAERN C[C@H](CS(=O)(=O)N1CCOC[C@@H]1C(N)=O)c1ccccc1 ZINC000183350980 416239168 /nfs/dbraw/zinc/23/91/68/416239168.db2.gz RAUQWHXVJHFMGH-DGCLKSJQSA-N 0 0 312.391 0.306 10 0 DCAERN O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192513722 416306566 /nfs/dbraw/zinc/30/65/66/416306566.db2.gz IGWANCSLDKWQDV-UHFFFAOYSA-N 0 0 314.345 0.749 10 0 DCAERN CC1=C(C(=O)N2CCCN(C)C(=O)C2)[C@@H](C)n2ncnc2N1C ZINC000192614760 416308481 /nfs/dbraw/zinc/30/84/81/416308481.db2.gz GIIYGJVZPZPQMT-LLVKDONJSA-N 0 0 318.381 0.254 10 0 DCAERN C[C@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192565974 416308552 /nfs/dbraw/zinc/30/85/52/416308552.db2.gz IALAGBIAEUBLLI-GXFFZTMASA-N 0 0 309.341 0.607 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC000192671051 416309832 /nfs/dbraw/zinc/30/98/32/416309832.db2.gz HRDGYAIQAAOEMV-JSGCOSHPSA-N 0 0 308.378 0.994 10 0 DCAERN CCOC(=O)CCC(=O)NC1CCN(c2ncccn2)CC1 ZINC000193360880 416315895 /nfs/dbraw/zinc/31/58/95/416315895.db2.gz NONWWKLLODYSDB-UHFFFAOYSA-N 0 0 306.366 0.905 10 0 DCAERN CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C1(C)C ZINC000193402449 416316117 /nfs/dbraw/zinc/31/61/17/416316117.db2.gz UCZKHXLSHBNDGY-NFFDBFGFSA-N 0 0 312.410 0.630 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C[C@@H](CO)O1 ZINC000193507620 416317973 /nfs/dbraw/zinc/31/79/73/416317973.db2.gz LHSOLBIUODTCIH-MFKMUULPSA-N 0 0 317.345 0.715 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000193719495 416319138 /nfs/dbraw/zinc/31/91/38/416319138.db2.gz SSZPQUCMQXGFFR-UHFFFAOYSA-N 0 0 304.350 0.231 10 0 DCAERN COCCN1CCCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000191249003 416285548 /nfs/dbraw/zinc/28/55/48/416285548.db2.gz HPUVYYZFPLUXLH-CHWSQXEVSA-N 0 0 312.410 0.897 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CCOC)C1 ZINC000358888823 416290389 /nfs/dbraw/zinc/29/03/89/416290389.db2.gz MTZVNKVJJCJYAJ-NWDGAFQWSA-N 0 0 313.398 0.045 10 0 DCAERN NS(=O)(=O)c1ccc(N2CCN(Cc3cocn3)CC2)cc1 ZINC000191925755 416294086 /nfs/dbraw/zinc/29/40/86/416294086.db2.gz ZXQNCOWEQXVRDW-UHFFFAOYSA-N 0 0 322.390 0.644 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cnns3)C2)c1 ZINC000192044117 416298248 /nfs/dbraw/zinc/29/82/48/416298248.db2.gz PCESHXQNRCWLTJ-JTQLQIEISA-N 0 0 320.378 0.845 10 0 DCAERN O=C(Nc1cnns1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000192089776 416298256 /nfs/dbraw/zinc/29/82/56/416298256.db2.gz XAQQUSGGAKQSQR-VIFPVBQESA-N 0 0 306.351 0.954 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@@H](N3CCOCC3)C2)C[C@H](C)O1 ZINC000246889623 416332422 /nfs/dbraw/zinc/33/24/22/416332422.db2.gz HCYBYQOTTWKONW-QLFBSQMISA-N 0 0 311.426 0.029 10 0 DCAERN COCCN1CCN(C(=O)NC[C@H](C)Cn2cccn2)C[C@H]1C ZINC000247034428 416332546 /nfs/dbraw/zinc/33/25/46/416332546.db2.gz IMQXMKXYWUYRSC-LSDHHAIUSA-N 0 0 323.441 0.881 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCOC)CCN1C[C@H](C)O ZINC000248367539 416333512 /nfs/dbraw/zinc/33/35/12/416333512.db2.gz UDXLKBJNEZHDNV-QWHCGFSZSA-N 0 0 308.444 0.130 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000359587657 416351864 /nfs/dbraw/zinc/35/18/64/416351864.db2.gz FSPPGZVNSMRSCA-CYBMUJFWSA-N 0 0 318.377 0.254 10 0 DCAERN Cc1cccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000194273650 416322796 /nfs/dbraw/zinc/32/27/96/416322796.db2.gz JERGILJHANAMGZ-UHFFFAOYSA-N 0 0 316.361 0.871 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1ccccn1 ZINC000194724054 416324377 /nfs/dbraw/zinc/32/43/77/416324377.db2.gz NRXBQXMXHYWHFG-ZDUSSCGKSA-N 0 0 315.377 0.636 10 0 DCAERN CN1CCO[C@@H](C(=O)NC[C@H]2COC3(CCCCCC3)O2)C1 ZINC000245558345 416331377 /nfs/dbraw/zinc/33/13/77/416331377.db2.gz GURRZYSFOYWRII-UONOGXRCSA-N 0 0 312.410 0.899 10 0 DCAERN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](CO)C2CC2)o1 ZINC000359818957 416360837 /nfs/dbraw/zinc/36/08/37/416360837.db2.gz HEYLNVURUKGGEA-SNVBAGLBSA-N 0 0 316.379 0.278 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NC[C@H](O)C(C)C)[C@H]2C1 ZINC000359829142 416361317 /nfs/dbraw/zinc/36/13/17/416361317.db2.gz QFNWOBLNVLOJNW-AJNGGQMLSA-N 0 0 311.426 0.950 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000360188922 416378455 /nfs/dbraw/zinc/37/84/55/416378455.db2.gz IWWJSJCURGFRLT-RAIGVLPGSA-N 0 0 304.412 0.342 10 0 DCAERN COc1ccc(NC(=O)NC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360471173 416392093 /nfs/dbraw/zinc/39/20/93/416392093.db2.gz YQTCXTSCXOZOOP-UHFFFAOYSA-N 0 0 306.322 0.075 10 0 DCAERN COc1ccc(COC[C@@H](O)CN2CC(=O)N(C)C2)cc1OC ZINC000360486041 416392697 /nfs/dbraw/zinc/39/26/97/416392697.db2.gz DMXUIZOQADJWGW-ZDUSSCGKSA-N 0 0 324.377 0.313 10 0 DCAERN NC(=O)NCCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360559441 416396092 /nfs/dbraw/zinc/39/60/92/416396092.db2.gz GVOPIXYNPMKBQZ-ZDUSSCGKSA-N 0 0 307.350 0.351 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)OC)CC1 ZINC000360683779 416403766 /nfs/dbraw/zinc/40/37/66/416403766.db2.gz RFQFHNBACZRMRP-MNOVXSKESA-N 0 0 307.416 0.087 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)OC)CC1 ZINC000360683778 416403858 /nfs/dbraw/zinc/40/38/58/416403858.db2.gz RFQFHNBACZRMRP-GHMZBOCLSA-N 0 0 307.416 0.087 10 0 DCAERN CCCNC(=O)CNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000360823837 416412366 /nfs/dbraw/zinc/41/23/66/416412366.db2.gz WYMDWOASZYNVGS-LLVKDONJSA-N 0 0 311.304 0.611 10 0 DCAERN CNC(=O)[C@H](CCSC)NC(=O)c1cccc2ncnn21 ZINC000360816008 416412426 /nfs/dbraw/zinc/41/24/26/416412426.db2.gz NBKONTQOAVEUTJ-VIFPVBQESA-N 0 0 307.379 0.327 10 0 DCAERN CCOC1(C(=O)N2CCC[C@](O)(c3cn[nH]n3)C2)CCCC1 ZINC000583618983 416478455 /nfs/dbraw/zinc/47/84/55/416478455.db2.gz PNVSESLPDWXGHY-CQSZACIVSA-N 0 0 308.382 0.964 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@]2(O)CCC[C@H]2C)C1 ZINC000458547398 416478844 /nfs/dbraw/zinc/47/88/44/416478844.db2.gz PQPZDYZCHKDBBK-XUJVJEKNSA-N 0 0 312.414 0.641 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000583616432 416479142 /nfs/dbraw/zinc/47/91/42/416479142.db2.gz PYSFEJJFLVJLAS-LBPRGKRZSA-N 0 0 302.400 0.492 10 0 DCAERN CCN(CCCO)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361703821 416481046 /nfs/dbraw/zinc/48/10/46/416481046.db2.gz YVOPXLPDAZVMGH-UHFFFAOYSA-N 0 0 322.409 0.832 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000361245071 416427469 /nfs/dbraw/zinc/42/74/69/416427469.db2.gz OOBNMHSAIQKCDS-CFVMTHIKSA-N 0 0 320.389 0.566 10 0 DCAERN C/C=C\C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)OCC ZINC000361538789 416444648 /nfs/dbraw/zinc/44/46/48/416444648.db2.gz SUVMAKLKQFJOQJ-KTLBGCOUSA-N 0 0 305.334 0.808 10 0 DCAERN C[C@H](CNC(=O)Nc1ccc(N(C)C)nc1)S(C)(=O)=O ZINC000532811458 416458921 /nfs/dbraw/zinc/45/89/21/416458921.db2.gz MEMOQIBEEGSWGN-SECBINFHSA-N 0 0 300.384 0.702 10 0 DCAERN CN1CCC[C@@H](NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)C1=O ZINC000362093161 416561671 /nfs/dbraw/zinc/56/16/71/416561671.db2.gz IDRIFLQHRRJILL-NEPJUHHUSA-N 0 0 322.340 0.272 10 0 DCAERN Cc1cccn2cc(CC(=O)N3CC[C@@H](NC(N)=O)C3)nc12 ZINC000535712366 416524948 /nfs/dbraw/zinc/52/49/48/416524948.db2.gz QJYTWRKONQXEBO-LLVKDONJSA-N 0 0 301.350 0.454 10 0 DCAERN C[C@H](C(=O)N[C@H]1CCO[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000362077220 416556832 /nfs/dbraw/zinc/55/68/32/416556832.db2.gz IVYHUQDKGABQKA-VWYCJHECSA-N 0 0 309.366 0.533 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCCNc2cnccn2)[nH]n1 ZINC000487530585 416557245 /nfs/dbraw/zinc/55/72/45/416557245.db2.gz YZEBYHHZLKZPRR-SNVBAGLBSA-N 0 0 303.370 0.850 10 0 DCAERN c1c(CCNc2ccc3nnnn3n2)[nH]nc1-c1ccncc1 ZINC000436435067 416557577 /nfs/dbraw/zinc/55/75/77/416557577.db2.gz XMKPWQRDJIHYNR-UHFFFAOYSA-N 0 0 307.321 0.959 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000434744466 416492859 /nfs/dbraw/zinc/49/28/59/416492859.db2.gz HELGYRJRKPYLNM-CHWSQXEVSA-N 0 0 316.423 0.438 10 0 DCAERN CC1(c2cc(NC(=O)C(=O)N(CCO)C3CC3)no2)CCCC1 ZINC000434769676 416496379 /nfs/dbraw/zinc/49/63/79/416496379.db2.gz ZUNFULTUJRGUOC-UHFFFAOYSA-N 0 0 321.377 1.428 10 0 DCAERN Cn1ccc(CNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000534288089 416496895 /nfs/dbraw/zinc/49/68/95/416496895.db2.gz GDLMYJTTWQSUMS-NSHDSACASA-N 0 0 311.367 0.057 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cn(C)nc2C(F)F)C1 ZINC000534361851 416501314 /nfs/dbraw/zinc/50/13/14/416501314.db2.gz AKIMHYKUTRSBBN-MRVPVSSYSA-N 0 0 315.324 0.891 10 0 DCAERN CC(C)O[C@@H]1C[C@@H](NC(=O)N(C)Cc2nnnn2C)C1(C)C ZINC000361821489 416502531 /nfs/dbraw/zinc/50/25/31/416502531.db2.gz RSGWVRZOPWHAIT-GHMZBOCLSA-N 0 0 310.402 0.944 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434912100 416504946 /nfs/dbraw/zinc/50/49/46/416504946.db2.gz FSRNMROJZICEMJ-NSHDSACASA-N 0 0 323.393 1.578 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NCc1cc(C(N)=O)no1 ZINC000435173288 416510753 /nfs/dbraw/zinc/51/07/53/416510753.db2.gz JYDJERPSOJDJAF-UHFFFAOYSA-N 0 0 306.326 0.952 10 0 DCAERN NC(=O)N[C@@H]1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000534966053 416511759 /nfs/dbraw/zinc/51/17/59/416511759.db2.gz ZZVUQOLIWKTRAF-GMDIISMXSA-N 0 0 320.437 0.670 10 0 DCAERN COCCOc1cccc(CC(=O)N(C)Cc2nnnn2C)c1 ZINC000435269754 416516714 /nfs/dbraw/zinc/51/67/14/416516714.db2.gz SDSDHSGAOMMFAB-UHFFFAOYSA-N 0 0 319.365 0.436 10 0 DCAERN COc1cc(NC(=O)CCC(=O)N2CCOCC2)ccc1O ZINC000438130602 416594529 /nfs/dbraw/zinc/59/45/29/416594529.db2.gz VIIPNFXFHBYNRT-UHFFFAOYSA-N 0 0 308.334 0.978 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(C)nc(OC)n1 ZINC000362658593 416568138 /nfs/dbraw/zinc/56/81/38/416568138.db2.gz RSCZSOGPIBCYOJ-ZJUUUORDSA-N 0 0 310.354 0.662 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1nnc(CC)c(CC)n1 ZINC000362669443 416568231 /nfs/dbraw/zinc/56/82/31/416568231.db2.gz UTECNPBXDJXQHM-NXEZZACHSA-N 0 0 323.397 0.865 10 0 DCAERN COc1ccc(F)c(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000538714455 416572983 /nfs/dbraw/zinc/57/29/83/416572983.db2.gz SALFHNAIVWLDJG-LLVKDONJSA-N 0 0 322.296 0.602 10 0 DCAERN O=C(Nc1ccon1)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000363794410 416577106 /nfs/dbraw/zinc/57/71/06/416577106.db2.gz LCYYQYXXIASCOO-UHFFFAOYSA-N 0 0 307.350 1.278 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCSC1 ZINC000366048183 416614441 /nfs/dbraw/zinc/61/44/41/416614441.db2.gz WWWDOJJFSOSFRV-DYNIEEOBSA-N 0 0 315.391 0.203 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)CCN2C(=O)CCC2=O)no1 ZINC000441728738 416680132 /nfs/dbraw/zinc/68/01/32/416680132.db2.gz LEJTZOLWSYYCNI-UHFFFAOYSA-N 0 0 308.338 0.522 10 0 DCAERN CCOC(=O)[C@H](CC(C)C)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366134663 416618367 /nfs/dbraw/zinc/61/83/67/416618367.db2.gz ZRQXLDNECALFFY-XHDPSFHLSA-N 0 0 311.382 0.638 10 0 DCAERN Cc1nccc(N2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)n1 ZINC000439724495 416621052 /nfs/dbraw/zinc/62/10/52/416621052.db2.gz ZEFFCQGCRSURSR-KGLIPLIRSA-N 0 0 304.394 0.985 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)C[C@@H]1O ZINC000439845667 416621431 /nfs/dbraw/zinc/62/14/31/416621431.db2.gz ZFBCLTWEXUAAQP-MFKMUULPSA-N 0 0 317.345 0.201 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1C[C@@H](F)C[C@@H]1CO ZINC000366675841 416635509 /nfs/dbraw/zinc/63/55/09/416635509.db2.gz CNLPNQXIODTEPL-WHOHXGKFSA-N 0 0 312.341 0.093 10 0 DCAERN CC(C)c1cc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)no1 ZINC000547944466 416683774 /nfs/dbraw/zinc/68/37/74/416683774.db2.gz MBWWSNRACSUVLM-GFCCVEGCSA-N 0 0 307.350 1.374 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cn1 ZINC000440676409 416642868 /nfs/dbraw/zinc/64/28/68/416642868.db2.gz CBEPFENRDCSLAF-NSHDSACASA-N 0 0 324.406 0.022 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)c1ncn(C)n1 ZINC000440712504 416644546 /nfs/dbraw/zinc/64/45/46/416644546.db2.gz LSGYXWHXHAUBLO-MNOVXSKESA-N 0 0 301.350 0.811 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CCOCC2(CCOCC2)C1 ZINC000544331766 416654421 /nfs/dbraw/zinc/65/44/21/416654421.db2.gz QHQGEEGEJNPDSB-UHFFFAOYSA-N 0 0 316.361 0.999 10 0 DCAERN CN(C)c1ccc(NC(=O)NCc2ccc(C(N)=O)nc2)cn1 ZINC000441196049 416664533 /nfs/dbraw/zinc/66/45/33/416664533.db2.gz KAWZRFHKTZNUBA-UHFFFAOYSA-N 0 0 314.349 0.963 10 0 DCAERN CCc1nc(C(C)(C)NCC(=O)NCC(=O)N2CCCC2)no1 ZINC000441243969 416665952 /nfs/dbraw/zinc/66/59/52/416665952.db2.gz AWPUUXRAMIWXDR-UHFFFAOYSA-N 0 0 323.397 0.195 10 0 DCAERN COc1cccc(CCNC(=O)N(C)CCN2CCOCC2)n1 ZINC000441452482 416671578 /nfs/dbraw/zinc/67/15/78/416671578.db2.gz WFCBRWAJOPCNBZ-UHFFFAOYSA-N 0 0 322.409 0.606 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CC(n3ccnn3)C2)CC1=O ZINC000368600856 416673816 /nfs/dbraw/zinc/67/38/16/416673816.db2.gz IWOYZFZHKJSEOL-LLVKDONJSA-N 0 0 305.382 0.699 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442054090 416686372 /nfs/dbraw/zinc/68/63/72/416686372.db2.gz JDFJWJGEKGWFTQ-NSHDSACASA-N 0 0 324.402 0.960 10 0 DCAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC(C)(C)C(N)=O ZINC000368777616 416692025 /nfs/dbraw/zinc/69/20/25/416692025.db2.gz UAZAPVFYMYHWSX-AWEZNQCLSA-N 0 0 317.389 0.903 10 0 DCAERN CCCCn1nccc1NC(=O)C(=O)N(C)Cc1noc(C)n1 ZINC000442404406 416692819 /nfs/dbraw/zinc/69/28/19/416692819.db2.gz CCKBINSMYWERGW-UHFFFAOYSA-N 0 0 320.353 0.972 10 0 DCAERN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)CCCO ZINC000442585745 416696899 /nfs/dbraw/zinc/69/68/99/416696899.db2.gz ZNDFTTCEHKHKRU-UHFFFAOYSA-N 0 0 315.395 0.166 10 0 DCAERN Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC000368831499 416699216 /nfs/dbraw/zinc/69/92/16/416699216.db2.gz ACABMGIMYARLBJ-LBPRGKRZSA-N 0 0 322.365 0.434 10 0 DCAERN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H](CO)NC(N)=O ZINC000442726051 416708001 /nfs/dbraw/zinc/70/80/01/416708001.db2.gz RGAHFBCCTXHDSO-CYBMUJFWSA-N 0 0 304.350 0.546 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000556931695 416719483 /nfs/dbraw/zinc/71/94/83/416719483.db2.gz YHFBWDMXDIKYFS-AWEZNQCLSA-N 0 0 316.405 1.502 10 0 DCAERN CN(CCCO)C(=O)CCC(C)(C)C(=O)N(C)CCCO ZINC000442997794 416725057 /nfs/dbraw/zinc/72/50/57/416725057.db2.gz YNLXSVBJSLPLII-UHFFFAOYSA-N 0 0 302.415 0.474 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)c2cnc(C3CC3)nc2N)C1 ZINC000614930487 416726581 /nfs/dbraw/zinc/72/65/81/416726581.db2.gz PYMCBENSBPTUFB-SNVBAGLBSA-N 0 0 303.366 0.534 10 0 DCAERN O=C(CNC(=O)C(=O)Nc1ccc2nccn2c1)N1CCCC1 ZINC000557354102 416731775 /nfs/dbraw/zinc/73/17/75/416731775.db2.gz CLBAZUSQIRTXQQ-UHFFFAOYSA-N 0 0 315.333 0.011 10 0 DCAERN CC[C@@]1(C)CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000443647065 416775327 /nfs/dbraw/zinc/77/53/27/416775327.db2.gz BZNDMCXIVREWGB-HNNXBMFYSA-N 0 0 323.397 0.999 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N2C[C@H](CO)OC[C@@H]2C)cc1 ZINC000427047187 416795480 /nfs/dbraw/zinc/79/54/80/416795480.db2.gz ZSHPKBLQGQEFCA-XHDPSFHLSA-N 0 0 306.362 0.891 10 0 DCAERN COC(=O)c1ccc(N[C@@H]2CCCS(=O)(=O)C2)nc1OC ZINC000517646991 416816284 /nfs/dbraw/zinc/81/62/84/416816284.db2.gz WMVPIBYAHWPXPU-SECBINFHSA-N 0 0 314.363 0.866 10 0 DCAERN Cc1nc(C)c(CNC(=O)N2C[C@H](C)O[C@H](C(N)=O)C2)s1 ZINC000623667121 416864245 /nfs/dbraw/zinc/86/42/45/416864245.db2.gz VWOHQXUQXFGSNG-XVKPBYJWSA-N 0 0 312.395 0.544 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccccn1 ZINC000623673258 416866844 /nfs/dbraw/zinc/86/68/44/416866844.db2.gz UXKTZBQQPMHYBM-UHFFFAOYSA-N 0 0 306.366 0.830 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@H](C(N)=O)O[C@@H](C)C2)sc1C ZINC000623683832 416867524 /nfs/dbraw/zinc/86/75/24/416867524.db2.gz KTWSOTNHECNQQO-OIBJUYFYSA-N 0 0 312.395 0.544 10 0 DCAERN O=S(=O)(N1C[C@@H](F)C[C@@H]1CO)N1CCc2ccccc2C1 ZINC000444277390 416825517 /nfs/dbraw/zinc/82/55/17/416825517.db2.gz LRRYIBLDUXOOAX-UONOGXRCSA-N 0 0 314.382 0.694 10 0 DCAERN C[C@@H](CN1C[C@]2(CCOC2)OC(C)(C)C1)CS(C)(=O)=O ZINC000369856832 416838956 /nfs/dbraw/zinc/83/89/56/416838956.db2.gz PFIQEQQCBNBWMZ-JSGCOSHPSA-N 0 0 305.440 0.937 10 0 DCAERN c1cc(N[C@@H]2CCO[C@@]3(CCOC3)C2)nc(N2CCOCC2)n1 ZINC000373395058 416958609 /nfs/dbraw/zinc/95/86/09/416958609.db2.gz WPSLLSDFSQMAMC-CJNGLKHVSA-N 0 0 320.393 1.063 10 0 DCAERN COC(=O)[C@H](NCc1ccc(S(N)(=O)=O)c(C)c1)C1CC1 ZINC000447036264 416961315 /nfs/dbraw/zinc/96/13/15/416961315.db2.gz DGUAXCKJIIKNAB-CYBMUJFWSA-N 0 0 312.391 0.684 10 0 DCAERN COCc1nc(CNC(=O)[C@@H]2CCc3nnnn3CC2)cs1 ZINC000565088726 416923629 /nfs/dbraw/zinc/92/36/29/416923629.db2.gz JXJXDWFRXRFEHI-SECBINFHSA-N 0 0 322.394 0.545 10 0 DCAERN COCc1nc(C)cc(N[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000372720186 416941125 /nfs/dbraw/zinc/94/11/25/416941125.db2.gz YCNBFNZVDUILEY-ZDUSSCGKSA-N 0 0 320.393 1.123 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000376714450 417034895 /nfs/dbraw/zinc/03/48/95/417034895.db2.gz BRBNGOYFVDMWLM-UPJWGTAASA-N 0 0 305.444 0.129 10 0 DCAERN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000376196821 417023835 /nfs/dbraw/zinc/02/38/35/417023835.db2.gz MSSPTGSLIFNVEX-ILXRZTDVSA-N 0 0 324.421 0.851 10 0 DCAERN O=S1(=O)C[C@H](Nc2nccn3cnnc23)c2ccccc21 ZINC000376304507 417027384 /nfs/dbraw/zinc/02/73/84/417027384.db2.gz FQNIFKVUEWPRJW-JTQLQIEISA-N 0 0 301.331 1.065 10 0 DCAERN CCOC1CC(O)(CNC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000447837695 417031442 /nfs/dbraw/zinc/03/14/42/417031442.db2.gz WLCBQLLMKKUAPG-UHFFFAOYSA-N 0 0 311.426 0.868 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000447382251 416992769 /nfs/dbraw/zinc/99/27/69/416992769.db2.gz OTYYUTDJRKPVRF-APPZFPTMSA-N 0 0 321.303 0.847 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccnc(C)c1 ZINC000447569572 417008799 /nfs/dbraw/zinc/00/87/99/417008799.db2.gz CJRQSMYQNGVTGH-MNOVXSKESA-N 0 0 307.350 0.576 10 0 DCAERN COCc1nc(C)cc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000624422888 417037043 /nfs/dbraw/zinc/03/70/43/417037043.db2.gz JXTAKTRWMGVYMG-CHWSQXEVSA-N 0 0 319.365 0.293 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000522224170 417057886 /nfs/dbraw/zinc/05/78/86/417057886.db2.gz WNFYSOFIMFPLIC-BFHYXJOUSA-N 0 0 323.455 0.298 10 0 DCAERN CCCCc1cc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448114801 417061315 /nfs/dbraw/zinc/06/13/15/417061315.db2.gz XUCQRKIUDSRFHQ-MRXNPFEDSA-N 0 0 318.377 1.304 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616592196 417083413 /nfs/dbraw/zinc/08/34/13/417083413.db2.gz BYJKOFHTRNGERP-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616597820 417085477 /nfs/dbraw/zinc/08/54/77/417085477.db2.gz STQDHMQCLOAWBA-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CNCCN1S(C)(=O)=O ZINC000616639332 417086929 /nfs/dbraw/zinc/08/69/29/417086929.db2.gz SVXRIUHNXRYSIE-SNVBAGLBSA-N 0 0 307.416 0.135 10 0 DCAERN CCOC(=O)[C@H]1CN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616646289 417087184 /nfs/dbraw/zinc/08/71/84/417087184.db2.gz KVPJOCHDSZLQGE-LLVKDONJSA-N 0 0 302.371 0.775 10 0 DCAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN(S(N)(=O)=O)C1 ZINC000616629930 417087587 /nfs/dbraw/zinc/08/75/87/417087587.db2.gz MGIOJFNDBVXHII-SNVBAGLBSA-N 0 0 307.416 0.817 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cn2cccnc2n1 ZINC000523657401 417087930 /nfs/dbraw/zinc/08/79/30/417087930.db2.gz DZWGTZGPOCEYQF-SNVBAGLBSA-N 0 0 310.379 0.625 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1CN(S(N)(=O)=O)CCN1 ZINC000616634902 417088048 /nfs/dbraw/zinc/08/80/48/417088048.db2.gz COBNCCWSCIVHSY-LBPRGKRZSA-N 0 0 313.379 0.013 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616666421 417089111 /nfs/dbraw/zinc/08/91/11/417089111.db2.gz KYXKPBCAUYNFMF-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1ccccc1CCO ZINC000616659744 417089267 /nfs/dbraw/zinc/08/92/67/417089267.db2.gz OSVFAOABNSTAHZ-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616659840 417090021 /nfs/dbraw/zinc/09/00/21/417090021.db2.gz IZDORCYTXRHCEJ-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@H]1CCN(S(C)(=O)=O)CCO1 ZINC000616665184 417090811 /nfs/dbraw/zinc/09/08/11/417090811.db2.gz QHHJJKGUGRWZNQ-NSHDSACASA-N 0 0 322.427 0.952 10 0 DCAERN CS(=O)(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616652007 417090823 /nfs/dbraw/zinc/09/08/23/417090823.db2.gz XVCWKXJECMYSQM-GFCCVEGCSA-N 0 0 319.404 0.468 10 0 DCAERN CC(=O)Nc1cccc([C@H]2COCCN(S(N)(=O)=O)C2)c1 ZINC000616663810 417090883 /nfs/dbraw/zinc/09/08/83/417090883.db2.gz OTPZGYWUNOMLSJ-GFCCVEGCSA-N 0 0 313.379 0.264 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616774061 417109414 /nfs/dbraw/zinc/10/94/14/417109414.db2.gz DZHFWCUGVOEVJT-RFGFWPKPSA-N 0 0 308.382 0.224 10 0 DCAERN O=S(=O)(NCC[C@]1(O)CCOC1)c1ccc(F)c(F)c1 ZINC000404162085 417118359 /nfs/dbraw/zinc/11/83/59/417118359.db2.gz SMEYZCIABAPHNW-LBPRGKRZSA-N 0 0 307.318 0.785 10 0 DCAERN O=C(c1nscc1Br)N1CCO[C@@H](CO)C1 ZINC000404751214 417120384 /nfs/dbraw/zinc/12/03/84/417120384.db2.gz WOIFMSBQAZNBNH-ZCFIWIBFSA-N 0 0 307.169 0.739 10 0 DCAERN Cc1noc([C@H]2CN(C[C@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036372 417133612 /nfs/dbraw/zinc/13/36/12/417133612.db2.gz RVXRDUISKZMERL-KOLCDFICSA-N 0 0 308.304 0.980 10 0 DCAERN Cc1noc([C@@H]2CN(C[C@@](C)(O)C(F)(F)F)CCN2C)n1 ZINC000408036368 417133860 /nfs/dbraw/zinc/13/38/60/417133860.db2.gz RVXRDUISKZMERL-GXSJLCMTSA-N 0 0 308.304 0.980 10 0 DCAERN CCSc1nnc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)s1 ZINC000407966955 417130351 /nfs/dbraw/zinc/13/03/51/417130351.db2.gz PKYMFJNJYMQSMA-SSDOTTSWSA-N 0 0 315.424 1.345 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000525381925 417137187 /nfs/dbraw/zinc/13/71/87/417137187.db2.gz FKJICERQCVFPKD-AVGNSLFASA-N 0 0 316.423 0.469 10 0 DCAERN CO[C@@H]1[C@@H](C)[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408110063 417139092 /nfs/dbraw/zinc/13/90/92/417139092.db2.gz KPOWHCRXWAZWSK-JMJZKYOTSA-N 0 0 311.382 0.493 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000408136403 417143355 /nfs/dbraw/zinc/14/33/55/417143355.db2.gz DMMKENROBJVTKB-GRYCIOLGSA-N 0 0 300.424 0.917 10 0 DCAERN CCOC(=O)[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC12COC2 ZINC000449359064 417142925 /nfs/dbraw/zinc/14/29/25/417142925.db2.gz GCDAVYXXWBWPNJ-ZDUSSCGKSA-N 0 0 320.393 0.554 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000408275032 417150992 /nfs/dbraw/zinc/15/09/92/417150992.db2.gz SCMVDNJLKUMYLU-CHWSQXEVSA-N 0 0 311.426 0.456 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000525808618 417152956 /nfs/dbraw/zinc/15/29/56/417152956.db2.gz RNWZCDQZZSRZKJ-BBRMVZONSA-N 0 0 324.425 0.019 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)Cc1nnnn1C)CC2 ZINC000526020530 417175238 /nfs/dbraw/zinc/17/52/38/417175238.db2.gz CTKJLJVHDVLMLC-JTQLQIEISA-N 0 0 317.397 0.820 10 0 DCAERN O=C(Cc1ccc2c[nH]nc2c1)N1CCN2CCOC[C@H]2C1 ZINC000527256058 417229907 /nfs/dbraw/zinc/22/99/07/417229907.db2.gz MPCGCFNBHWWZDN-CQSZACIVSA-N 0 0 300.362 0.648 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C1(S(C)(=O)=O)CCC1 ZINC000526998372 417199007 /nfs/dbraw/zinc/19/90/07/417199007.db2.gz AIGDFRWDWOFWGR-NSHDSACASA-N 0 0 317.407 0.896 10 0 DCAERN C[C@H]1CN(C(=O)c2cccc3ncnn32)C[C@@]2(CCOC2)O1 ZINC000527026835 417202969 /nfs/dbraw/zinc/20/29/69/417202969.db2.gz HBSPZCSHHUZECV-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(C)(C)O)C1 ZINC000620725666 417269470 /nfs/dbraw/zinc/26/94/70/417269470.db2.gz BEPOMMDYHODTFD-HNNXBMFYSA-N 0 0 305.422 0.690 10 0 DCAERN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)CCO1 ZINC000569283765 417234725 /nfs/dbraw/zinc/23/47/25/417234725.db2.gz OHLWYPITZJSAMY-KGLIPLIRSA-N 0 0 324.421 0.945 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@]2(C)CO)cn1 ZINC000527390982 417242970 /nfs/dbraw/zinc/24/29/70/417242970.db2.gz YCBIYNMHZNMLGA-OAHLLOKOSA-N 0 0 306.366 0.460 10 0 DCAERN COC(=O)c1ccc(CC(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000450588167 417245102 /nfs/dbraw/zinc/24/51/02/417245102.db2.gz UWILIOCSYKLXDX-HNNXBMFYSA-N 0 0 318.373 0.559 10 0 DCAERN CC(=O)NCCN(CC[C@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716272 417260254 /nfs/dbraw/zinc/26/02/54/417260254.db2.gz YCHSGJGOEQOBGN-RYUDHWBXSA-N 0 0 302.415 0.926 10 0 DCAERN CC(=O)c1cn(CC(=O)NC[C@@](C)(O)C2CCCCC2)nn1 ZINC000451127412 417301534 /nfs/dbraw/zinc/30/15/34/417301534.db2.gz GYVQHIXCQJPJFK-OAHLLOKOSA-N 0 0 308.382 0.928 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccccc2)CC12COC2 ZINC000451135379 417306974 /nfs/dbraw/zinc/30/69/74/417306974.db2.gz MLJMJMTUVKFQEE-KBPBESRZSA-N 0 0 318.373 0.725 10 0 DCAERN CCOC(=O)[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)CC12COC2 ZINC000451139239 417307032 /nfs/dbraw/zinc/30/70/32/417307032.db2.gz RWUYARDFJKVFFR-JQWIXIFHSA-N 0 0 321.381 0.581 10 0 DCAERN COC1(C)CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000570251020 417331226 /nfs/dbraw/zinc/33/12/26/417331226.db2.gz HYJDJLXOMPKUQG-LSDHHAIUSA-N 0 0 318.373 0.832 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC000633297556 417402168 /nfs/dbraw/zinc/40/21/68/417402168.db2.gz UQNQJODAJJKBJD-AAEUAGOBSA-N 0 0 319.365 0.208 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000633351339 417414781 /nfs/dbraw/zinc/41/47/81/417414781.db2.gz RHIGJLAHPXMZPU-DCAQKATOSA-N 0 0 308.300 0.769 10 0 DCAERN CC=CC[C@@H]1NC(=O)N([C@H]2CCc3nc(COC)nn3C2)C1=O ZINC000571118412 417425082 /nfs/dbraw/zinc/42/50/82/417425082.db2.gz NYPJIOFXMIBPMQ-SEUFLZDSSA-N 0 0 319.365 0.626 10 0 DCAERN CCOC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](C)CC)CC12COC2 ZINC000451621094 417366491 /nfs/dbraw/zinc/36/64/91/417366491.db2.gz UOJCZSFLRRCFIW-NEPJUHHUSA-N 0 0 319.423 0.874 10 0 DCAERN CCOC[C@H](O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451664024 417374354 /nfs/dbraw/zinc/37/43/54/417374354.db2.gz NWBMOQDWALBBFN-GFCCVEGCSA-N 0 0 308.378 0.701 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC000627741718 417493497 /nfs/dbraw/zinc/49/34/97/417493497.db2.gz SHQUUYDGYHJWTJ-UHFFFAOYSA-N 0 0 309.410 0.178 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)s1 ZINC000439199901 287383498 /nfs/dbraw/zinc/38/34/98/287383498.db2.gz PCKANMIKPQFANH-QMMMGPOBSA-N 0 0 310.379 0.299 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC12COC2 ZINC000452226494 417460245 /nfs/dbraw/zinc/46/02/45/417460245.db2.gz KFJYMTBMMMSYDE-CYBMUJFWSA-N 0 0 321.377 0.607 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](F)C1 ZINC000627573662 417461472 /nfs/dbraw/zinc/46/14/72/417461472.db2.gz IDIWUOIFBVPMBQ-SNVBAGLBSA-N 0 0 301.362 0.366 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@@H](CO)[C@@H]2CCOC2)n1 ZINC000573159483 417466636 /nfs/dbraw/zinc/46/66/36/417466636.db2.gz TZZYQVYMCOOFSK-MNOVXSKESA-N 0 0 311.386 0.800 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC(=O)N1CCCO1 ZINC000529503158 417470822 /nfs/dbraw/zinc/47/08/22/417470822.db2.gz HOZJTVMPIRYCAS-AWEZNQCLSA-N 0 0 317.345 0.244 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000633689024 417479373 /nfs/dbraw/zinc/47/93/73/417479373.db2.gz YIEPURKXGNFELC-OLZOCXBDSA-N 0 0 304.350 0.857 10 0 DCAERN COCCn1ccc(NC(=O)C(=O)NCC2CCCCCC2)n1 ZINC000453874771 417534476 /nfs/dbraw/zinc/53/44/76/417534476.db2.gz CCQICUQOEJONOR-UHFFFAOYSA-N 0 0 322.409 1.555 10 0 DCAERN Cc1nnc(COC2CN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)o1 ZINC000644212499 417498626 /nfs/dbraw/zinc/49/86/26/417498626.db2.gz JKKXXCKIZPIIQD-LLVKDONJSA-N 0 0 317.349 0.949 10 0 DCAERN CC(=O)c1csc(NC(=O)C2(n3cnnn3)CCOCC2)n1 ZINC000622773305 417504901 /nfs/dbraw/zinc/50/49/01/417504901.db2.gz SYNFBCARBWKNHO-UHFFFAOYSA-N 0 0 322.350 0.477 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000627831614 417510731 /nfs/dbraw/zinc/51/07/31/417510731.db2.gz HTESQABELUACHD-UMSPYCQHSA-N 0 0 303.318 0.208 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F ZINC000622894397 417515370 /nfs/dbraw/zinc/51/53/70/417515370.db2.gz BMKZGALWJQUUSQ-CABZTGNLSA-N 0 0 323.315 0.523 10 0 DCAERN Cn1ncc2c(-c3nc4c(cccc4C(N)=O)[nH]3)ncn2c1=O ZINC000575310424 417524067 /nfs/dbraw/zinc/52/40/67/417524067.db2.gz WYIOCQSHCOMYRV-UHFFFAOYSA-N 0 0 309.289 0.070 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)NCCc1ncccc1C)N(C)C2 ZINC000644479728 417593639 /nfs/dbraw/zinc/59/36/39/417593639.db2.gz NLQJELSJHNUUPP-CQSZACIVSA-N 0 0 314.393 0.463 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628064626 417567591 /nfs/dbraw/zinc/56/75/91/417567591.db2.gz IJZPYOQEHZRZRM-GMTAPVOTSA-N 0 0 319.423 0.508 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)N1CCOCC13CCCC3)N(C)C2 ZINC000644407867 417568690 /nfs/dbraw/zinc/56/86/90/417568690.db2.gz NYDZZNPGOPZNAQ-ZDUSSCGKSA-N 0 0 319.409 0.572 10 0 DCAERN CC(=O)N1CCN(CCNc2nc3c(cccc3F)o2)CC1 ZINC000576764290 417635249 /nfs/dbraw/zinc/63/52/49/417635249.db2.gz HYDVEOVRLCRSGR-UHFFFAOYSA-N 0 0 306.341 1.543 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000532082667 417657434 /nfs/dbraw/zinc/65/74/34/417657434.db2.gz WGLAOGOCJWSKBY-QWHCGFSZSA-N 0 0 319.409 0.967 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)Cc1nnnn1C ZINC000532327021 417671553 /nfs/dbraw/zinc/67/15/53/417671553.db2.gz NKLZWCJGIPVOIH-VOAKCMCISA-N 0 0 308.430 0.971 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1cnn(Cc2ccccc2)c1 ZINC000629223405 417760743 /nfs/dbraw/zinc/76/07/43/417760743.db2.gz WRLUTUUZHIAZJN-LSDHHAIUSA-N 0 0 301.346 0.811 10 0 DCAERN C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458135651 417723822 /nfs/dbraw/zinc/72/38/22/417723822.db2.gz KESASSNAKZNGTD-QWRGUYRKSA-N 0 0 324.768 0.876 10 0 DCAERN O=C(NC[C@H](O)Cn1ccnn1)C1(Cc2ccc(F)cc2)CC1 ZINC000458140468 417726125 /nfs/dbraw/zinc/72/61/25/417726125.db2.gz NQTJJMCNZDEOAZ-AWEZNQCLSA-N 0 0 318.352 0.917 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000654920033 418203680 /nfs/dbraw/zinc/20/36/80/418203680.db2.gz IEWLVWQOWANISQ-OBJOEFQTSA-N 0 0 301.408 0.717 10 0 DCAERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)CC(=O)NC ZINC000665446812 418207333 /nfs/dbraw/zinc/20/73/33/418207333.db2.gz JCQUXQDVGRACMS-DGCLKSJQSA-N 0 0 308.382 0.575 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOC(C)C ZINC000182748225 545906610 /nfs/dbraw/zinc/90/66/10/545906610.db2.gz XLNBNRNEOKJOGI-GFCCVEGCSA-N 0 0 306.428 0.732 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccco2)C1 ZINC000459867348 287505853 /nfs/dbraw/zinc/50/58/53/287505853.db2.gz ULSGQRLXIKQLFB-GFCCVEGCSA-N 0 0 321.377 0.755 10 0 DCAERN Cn1cc([C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C(F)(F)F)cn1 ZINC000487746636 287540600 /nfs/dbraw/zinc/54/06/00/287540600.db2.gz DYXYPEDNGKPLFF-GMSGAONNSA-N 0 0 304.272 0.666 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)CCOC ZINC000488300293 287548684 /nfs/dbraw/zinc/54/86/84/287548684.db2.gz TWNIMKTYWYQOFJ-MNOVXSKESA-N 0 0 316.398 0.622 10 0 DCAERN CCCCCNC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC ZINC000492153161 287567033 /nfs/dbraw/zinc/56/70/33/287567033.db2.gz PWCRILMSJMIJJS-MNOVXSKESA-N 0 0 301.387 0.932 10 0 DCAERN C[C@@H]1COCC[C@@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000302024078 230042892 /nfs/dbraw/zinc/04/28/92/230042892.db2.gz KSVHLJWUFVTTBH-APPZFPTMSA-N 0 0 304.393 0.550 10 0 DCAERN CC1(CNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)COC1 ZINC000112723046 261108470 /nfs/dbraw/zinc/10/84/70/261108470.db2.gz XTBUMDLSULNIRX-QMMMGPOBSA-N 0 0 309.288 0.485 10 0 DCAERN Cc1noc(C2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)n1 ZINC000142116925 261109566 /nfs/dbraw/zinc/10/95/66/261109566.db2.gz RNSZYKXFDNLALO-MRVPVSSYSA-N 0 0 316.383 0.022 10 0 DCAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCOC3)CC2)n1 ZINC000179171754 261111442 /nfs/dbraw/zinc/11/14/42/261111442.db2.gz QGGRSVRDWCTDKV-NWDGAFQWSA-N 0 0 323.397 0.809 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000179248326 261112227 /nfs/dbraw/zinc/11/22/27/261112227.db2.gz XXCYTQZHAKXOHT-GHMZBOCLSA-N 0 0 314.411 0.786 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H](CO)Cc1ccccc1 ZINC000179795737 261113699 /nfs/dbraw/zinc/11/36/99/261113699.db2.gz BAIKWLLNBVIGET-CQSZACIVSA-N 0 0 313.357 0.531 10 0 DCAERN CC(C)CC(=O)N[C@H](C(=O)NCC(=O)NCC1CC1)C(C)C ZINC000179850588 261113835 /nfs/dbraw/zinc/11/38/35/261113835.db2.gz QPYRJFQJCJCPCC-HNNXBMFYSA-N 0 0 311.426 0.816 10 0 DCAERN CCCn1nccc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000179726384 261113985 /nfs/dbraw/zinc/11/39/85/261113985.db2.gz MYWMBNTZMADSPB-LLVKDONJSA-N 0 0 309.370 0.350 10 0 DCAERN CNC(=O)[C@H](NC(=O)N[C@H](CO)Cc1ccc(C)cc1)C(C)C ZINC000188366608 261126829 /nfs/dbraw/zinc/12/68/29/261126829.db2.gz DGPOABWVNSJZMU-LSDHHAIUSA-N 0 0 321.421 0.968 10 0 DCAERN COCCN1CCCN(Cc2cccc(C(N)=O)c2)CC1=O ZINC000190755775 261135348 /nfs/dbraw/zinc/13/53/48/261135348.db2.gz JGAARJFUSXODDV-UHFFFAOYSA-N 0 0 305.378 0.466 10 0 DCAERN Cc1nc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)sc1C ZINC000193002521 261140626 /nfs/dbraw/zinc/14/06/26/261140626.db2.gz CKVVHSWXZYCECW-VHSXEESVSA-N 0 0 324.406 0.859 10 0 DCAERN COc1cccc([C@H](C)C(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000193498143 261142364 /nfs/dbraw/zinc/14/23/64/261142364.db2.gz YYQUSHFGMKTIKL-DZGCQCFKSA-N 0 0 322.405 0.608 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCCCOC(F)F)C[C@H](C)O1 ZINC000193968736 261144020 /nfs/dbraw/zinc/14/40/20/261144020.db2.gz HHCCAWGHDIIUEE-IUCAKERBSA-N 0 0 302.343 0.559 10 0 DCAERN COc1cccc(CNC(=O)N[C@@H](C)CN2CCOCC2)n1 ZINC000194649280 261147341 /nfs/dbraw/zinc/14/73/41/261147341.db2.gz KSVIYPPKAPVCHJ-LBPRGKRZSA-N 0 0 308.382 0.610 10 0 DCAERN CCN(CC)C(=O)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1 ZINC000194800754 261148662 /nfs/dbraw/zinc/14/86/62/261148662.db2.gz LIQPMGZGBNGHAM-AWEZNQCLSA-N 0 0 317.389 0.921 10 0 DCAERN CCN(CC)C(=O)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194800742 261148734 /nfs/dbraw/zinc/14/87/34/261148734.db2.gz LIQPMGZGBNGHAM-CQSZACIVSA-N 0 0 317.389 0.921 10 0 DCAERN CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000195180960 261150825 /nfs/dbraw/zinc/15/08/25/261150825.db2.gz KHETVZWDTBSJHT-LBPRGKRZSA-N 0 0 320.459 0.098 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000221910207 261151805 /nfs/dbraw/zinc/15/18/05/261151805.db2.gz JEFJOLQAZPZREK-DGCLKSJQSA-N 0 0 318.439 0.277 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000355714371 261358889 /nfs/dbraw/zinc/35/88/89/261358889.db2.gz CVTDZDHWIDKUQK-LOWDOPEQSA-N 0 0 310.394 0.554 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)NCCCOC1CCCC1 ZINC000357997222 261613728 /nfs/dbraw/zinc/61/37/28/261613728.db2.gz VFBUDFKHYFTPKW-STQMWFEESA-N 0 0 312.410 0.681 10 0 DCAERN CC(=O)c1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)s1 ZINC000358534069 261680526 /nfs/dbraw/zinc/68/05/26/261680526.db2.gz KJRJEOFVPRXUNL-UHFFFAOYSA-N 0 0 307.331 0.600 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1cccc(N(C)C)c1C)OC ZINC000358835814 261704443 /nfs/dbraw/zinc/70/44/43/261704443.db2.gz DXLKODGJPIAKFS-LBPRGKRZSA-N 0 0 323.393 0.777 10 0 DCAERN COCc1nc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)no1 ZINC000359258836 261732330 /nfs/dbraw/zinc/73/23/30/261732330.db2.gz HQSQKWNUPLVFFQ-NSHDSACASA-N 0 0 316.317 0.751 10 0 DCAERN COCCn1cc(C(=O)N2CCSC[C@H]2CCO)c(C)n1 ZINC000360527587 261841884 /nfs/dbraw/zinc/84/18/84/261841884.db2.gz JRFWJJKDEAACEY-GFCCVEGCSA-N 0 0 313.423 0.778 10 0 DCAERN CCN(C)C(=O)CNC(=O)NCCCc1nnc2ccccn21 ZINC000361495587 261931723 /nfs/dbraw/zinc/93/17/23/261931723.db2.gz FUNUPELRMNMARU-UHFFFAOYSA-N 0 0 318.381 0.439 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)N2CC(=O)N(C)C2)cn1 ZINC000361911127 261975942 /nfs/dbraw/zinc/97/59/42/261975942.db2.gz HZHUOMJXFOSCED-VIFPVBQESA-N 0 0 305.338 0.187 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000362235716 262013590 /nfs/dbraw/zinc/01/35/90/262013590.db2.gz ILNJSMOWTKEGRB-ZUZCIYMTSA-N 0 0 309.366 0.344 10 0 DCAERN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1cnn(C)c1 ZINC000362260042 262016170 /nfs/dbraw/zinc/01/61/70/262016170.db2.gz GEGZHFFHEMZMLJ-AWEZNQCLSA-N 0 0 314.345 0.503 10 0 DCAERN COCCO[C@H]1COCC[C@H]1NC(=O)Cn1nc(C)cc1C ZINC000362461758 262037742 /nfs/dbraw/zinc/03/77/42/262037742.db2.gz YECAJIALIJENIN-KGLIPLIRSA-N 0 0 311.382 0.437 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1ncc(Cl)cn1 ZINC000362658231 262057548 /nfs/dbraw/zinc/05/75/48/262057548.db2.gz QROBXRAJRNVWAK-HTQZYQBOSA-N 0 0 300.746 0.998 10 0 DCAERN COC(=O)[C@H](NC(=O)C(=O)c1cnn(C(C)(C)C)c1)C1CC1 ZINC000362674714 262059189 /nfs/dbraw/zinc/05/91/89/262059189.db2.gz XLYWYLRDTGUVGW-LLVKDONJSA-N 0 0 307.350 0.889 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C1CC1 ZINC000362676051 262059965 /nfs/dbraw/zinc/05/99/65/262059965.db2.gz XLEMBJDEVQYDEB-MFKMUULPSA-N 0 0 304.346 0.873 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)Cn2cccnc2=O)c1 ZINC000362703263 262063227 /nfs/dbraw/zinc/06/32/27/262063227.db2.gz JAPLRFVUDLGJIY-UHFFFAOYSA-N 0 0 300.318 0.865 10 0 DCAERN COc1ccc(NC(=O)CN2CCN3CCOC[C@H]3C2)cc1 ZINC000363791414 262130421 /nfs/dbraw/zinc/13/04/21/262130421.db2.gz COZCTPDQBCHQHH-CQSZACIVSA-N 0 0 305.378 0.650 10 0 DCAERN Cc1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)ccc1C(N)=O ZINC000363859174 262134865 /nfs/dbraw/zinc/13/48/65/262134865.db2.gz FBTIQOIYZGLDHO-ZDUSSCGKSA-N 0 0 318.377 0.642 10 0 DCAERN O=C(c1ccccc1-n1ccnn1)N1CCN2CCOC[C@@H]2C1 ZINC000363856467 262135024 /nfs/dbraw/zinc/13/50/24/262135024.db2.gz ORVBKHWVWPCDPW-ZDUSSCGKSA-N 0 0 313.361 0.424 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCOCC[C@H]2C)n(C)n1 ZINC000363907943 262136302 /nfs/dbraw/zinc/13/63/02/262136302.db2.gz DJPFLHFJEFZPFN-LLVKDONJSA-N 0 0 308.382 0.949 10 0 DCAERN CC(C)NC(=O)[C@@H](C)NC(=O)c1cncc(-n2ccnn2)c1 ZINC000412875423 262196338 /nfs/dbraw/zinc/19/63/38/262196338.db2.gz YSLWOUJAVOKSAN-SNVBAGLBSA-N 0 0 302.338 0.305 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCO[C@H](C)[C@H]2C)n1 ZINC000359217016 271105142 /nfs/dbraw/zinc/10/51/42/271105142.db2.gz AJXVRYKKDDRNPC-VXGBXAGGSA-N 0 0 321.377 0.385 10 0 DCAERN C[C@H](CCc1cccn1C)NC(=O)C(=O)N1CC[C@H](CO)[C@H]1C ZINC000359227280 271108122 /nfs/dbraw/zinc/10/81/22/271108122.db2.gz NDKTVJOFXKPHKG-MGPQQGTHSA-N 0 0 321.421 0.692 10 0 DCAERN C[C@H](CO)CNC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434944927 271551205 /nfs/dbraw/zinc/55/12/05/271551205.db2.gz ZSXXRHQWEZLSJM-IUCAKERBSA-N 0 0 311.407 0.951 10 0 DCAERN CCN(CC(=O)OC)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000436335238 271590321 /nfs/dbraw/zinc/59/03/21/271590321.db2.gz UJGVELATFLZPQA-UHFFFAOYSA-N 0 0 305.338 0.456 10 0 DCAERN CCn1ncc(NC(=O)C(=O)N(C)CCCO)c1C(F)(F)F ZINC000443328392 271707822 /nfs/dbraw/zinc/70/78/22/271707822.db2.gz JFTBPDKSDZAGSG-UHFFFAOYSA-N 0 0 322.287 0.701 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443345648 271708623 /nfs/dbraw/zinc/70/86/23/271708623.db2.gz KVUWZMDIAISRBN-UHFFFAOYSA-N 0 0 307.350 0.449 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C2(COC)CCC2)CC12COC2 ZINC000452226191 271911733 /nfs/dbraw/zinc/91/17/33/271911733.db2.gz RMFDNRJZQITQEH-LBPRGKRZSA-N 0 0 311.378 0.841 10 0 DCAERN C[C@]1(CNC(=O)NC[C@@H](CO)c2ccccc2)CCC(=O)N1 ZINC000459167889 271988244 /nfs/dbraw/zinc/98/82/44/271988244.db2.gz UZMWAYRZVVDOBL-XJKSGUPXSA-N 0 0 305.378 0.730 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000459789265 272009180 /nfs/dbraw/zinc/00/91/80/272009180.db2.gz UBWLYUGIUUDGNY-CYBMUJFWSA-N 0 0 317.389 0.771 10 0 DCAERN C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459839676 272015810 /nfs/dbraw/zinc/01/58/10/272015810.db2.gz XCMIHISFQHCBMZ-WBMJQRKESA-N 0 0 307.394 0.516 10 0 DCAERN CC1(C)CN(C(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)CCO1 ZINC000459996787 272023545 /nfs/dbraw/zinc/02/35/45/272023545.db2.gz AXVDTHNDZNNGBT-UHFFFAOYSA-N 0 0 320.393 0.753 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000461267425 272025777 /nfs/dbraw/zinc/02/57/77/272025777.db2.gz CERXJMMSTGNLAI-APIJFGDWSA-N 0 0 324.421 0.967 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000471666508 272028914 /nfs/dbraw/zinc/02/89/14/272028914.db2.gz BHRWCSWOYUILBM-ZJUUUORDSA-N 0 0 316.379 0.827 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cncc(F)c1 ZINC000487111274 272038046 /nfs/dbraw/zinc/03/80/46/272038046.db2.gz CDHSJAHVHQXWLL-BDAKNGLRSA-N 0 0 311.313 0.407 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCCN2CCOC[C@H]2C)[nH]n1 ZINC000487548338 272042036 /nfs/dbraw/zinc/04/20/36/272042036.db2.gz KFLPWGKKRPHSOO-WCQYABFASA-N 0 0 309.414 0.669 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(C)n1 ZINC000488743480 272049287 /nfs/dbraw/zinc/04/92/87/272049287.db2.gz IKEANFWJFLCTEM-DTWKUNHWSA-N 0 0 323.353 0.363 10 0 DCAERN CN(CC(=O)N[C@H]1CCCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000488928339 272054170 /nfs/dbraw/zinc/05/41/70/272054170.db2.gz GHOYJQVBGGHWLX-QWRGUYRKSA-N 0 0 324.393 0.799 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488928402 272054183 /nfs/dbraw/zinc/05/41/83/272054183.db2.gz AGMDBLXZXWHLIT-NSHDSACASA-N 0 0 319.352 0.713 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)nn1 ZINC000488998406 272055600 /nfs/dbraw/zinc/05/56/00/272055600.db2.gz ACLOCVVHCSLXSW-SECBINFHSA-N 0 0 315.324 0.674 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)N[C@@H]1CCCNC1=O ZINC000489159783 272057945 /nfs/dbraw/zinc/05/79/45/272057945.db2.gz JZTCTOFWZKWUGP-LLVKDONJSA-N 0 0 316.365 0.240 10 0 DCAERN Cn1ccnc1CNC(=O)NCCCc1nnc2ccccn21 ZINC000489179911 272057999 /nfs/dbraw/zinc/05/79/99/272057999.db2.gz QAFHRWRJQDENIJ-UHFFFAOYSA-N 0 0 313.365 0.895 10 0 DCAERN NC(=O)c1ccc(CC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000489956036 272066914 /nfs/dbraw/zinc/06/69/14/272066914.db2.gz NFNYYGVTZRJPKL-CYBMUJFWSA-N 0 0 308.403 0.654 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)Cn2cncn2)c1 ZINC000490050035 272069329 /nfs/dbraw/zinc/06/93/29/272069329.db2.gz PLBPZFWJLIOHDI-SNVBAGLBSA-N 0 0 315.333 0.624 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)NC[C@H](O)C2CC2)c1 ZINC000490529698 272076614 /nfs/dbraw/zinc/07/66/14/272076614.db2.gz WWASAFUFOXSJCT-AWEZNQCLSA-N 0 0 319.361 0.495 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)CSCC(C)=O)c1 ZINC000494315897 272217498 /nfs/dbraw/zinc/21/74/98/272217498.db2.gz SNUFBLOEVQWIJU-UHFFFAOYSA-N 0 0 316.404 0.855 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CC1CC1 ZINC000495197430 272241277 /nfs/dbraw/zinc/24/12/77/272241277.db2.gz XRPZOFMWOMMTNG-DCAQKATOSA-N 0 0 313.398 0.931 10 0 DCAERN COC1(CC(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)CCC1 ZINC000515574523 272424333 /nfs/dbraw/zinc/42/43/33/272424333.db2.gz KENGMFKXJBNMGA-LBPRGKRZSA-N 0 0 320.393 0.991 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@@](C)(O)Cc2ccccc2)C1 ZINC000516215496 272432637 /nfs/dbraw/zinc/43/26/37/272432637.db2.gz WROWYHWTKKZNEJ-WBVHZDCISA-N 0 0 304.390 0.965 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cn2cccnc2n1 ZINC000525871946 272581026 /nfs/dbraw/zinc/58/10/26/272581026.db2.gz SIHFTJWRGBJGGO-GFCCVEGCSA-N 0 0 301.350 0.716 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000530850936 272749494 /nfs/dbraw/zinc/74/94/94/272749494.db2.gz WPWYIWDQGBAJGZ-XQCUEUFKSA-N 0 0 307.394 0.370 10 0 DCAERN CN1CCC[C@@H](NC(=O)NCC(=O)NC2CCCCC2)C1=O ZINC000531366326 272760196 /nfs/dbraw/zinc/76/01/96/272760196.db2.gz GTZXPCROCZJHJR-GFCCVEGCSA-N 0 0 310.398 0.355 10 0 DCAERN CN(Cc1nnnn1C)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000532063533 272777260 /nfs/dbraw/zinc/77/72/60/272777260.db2.gz HWQLFQNTSKWBCG-STQMWFEESA-N 0 0 300.366 0.983 10 0 DCAERN O=C(NC[C@@H](CO)c1ccccc1)[C@]12CCC(=O)N1CCS2 ZINC000533186678 272802668 /nfs/dbraw/zinc/80/26/68/272802668.db2.gz KCWRJVVASVUMDU-XJKSGUPXSA-N 0 0 320.414 0.944 10 0 DCAERN CC(CO)(CO)CNC(=O)c1ncsc1Br ZINC000520608451 287686051 /nfs/dbraw/zinc/68/60/51/287686051.db2.gz ZQHMDJDNLZPYDU-UHFFFAOYSA-N 0 0 309.185 0.626 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(C(=O)N(C)C)cn2)C1 ZINC000527317630 287691620 /nfs/dbraw/zinc/69/16/20/287691620.db2.gz VEMBZFXNVDRZCF-INIZCTEOSA-N 0 0 318.377 0.980 10 0 DCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N(C)CC1(O)CCOCC1 ZINC000162080510 287739210 /nfs/dbraw/zinc/73/92/10/287739210.db2.gz HYABLMDLZSZQEX-QWRGUYRKSA-N 0 0 301.387 0.069 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000173976777 274847448 /nfs/dbraw/zinc/84/74/48/274847448.db2.gz VSLGCNLMTHIJHP-GFCCVEGCSA-N 0 0 302.382 0.583 10 0 DCAERN COC(=O)c1cc(F)ccc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000534225732 287806375 /nfs/dbraw/zinc/80/63/75/287806375.db2.gz YZNKVFRHKWUXAM-SECBINFHSA-N 0 0 324.312 0.887 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000536480212 287854490 /nfs/dbraw/zinc/85/44/90/287854490.db2.gz GNSHSUCNALPWGZ-LLVKDONJSA-N 0 0 315.337 0.542 10 0 DCAERN CN(C)c1ncc(NC(=O)c2cnc3sccn3c2=O)cn1 ZINC000124779962 276901489 /nfs/dbraw/zinc/90/14/89/276901489.db2.gz IVZIZFLAAVKPAR-UHFFFAOYSA-N 0 0 316.346 0.864 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000286517715 276962070 /nfs/dbraw/zinc/96/20/70/276962070.db2.gz QOEGIGLCHZISCF-HUUCEWRRSA-N 0 0 319.409 0.918 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245927876 277123202 /nfs/dbraw/zinc/12/32/02/277123202.db2.gz IHYYKCQUQPSTMA-BMFZPTHFSA-N 0 0 319.405 0.948 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)CCC1=O ZINC000120491092 277202848 /nfs/dbraw/zinc/20/28/48/277202848.db2.gz BSUPWDUUOPRFSR-SECBINFHSA-N 0 0 311.288 0.640 10 0 DCAERN COC(=O)CN(C1CCOCC1)S(=O)(=O)N1CCC[C@H]1C ZINC000545318240 287995975 /nfs/dbraw/zinc/99/59/75/287995975.db2.gz HRXJNSYMKWGJQE-LLVKDONJSA-N 0 0 320.411 0.370 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000183706738 277963396 /nfs/dbraw/zinc/96/33/96/277963396.db2.gz HGRDLGOXXWYSQT-OAHLLOKOSA-N 0 0 321.352 0.612 10 0 DCAERN CC(=O)N1CC(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)C1 ZINC000374020846 277980741 /nfs/dbraw/zinc/98/07/41/277980741.db2.gz ZWNZFDSPPOUYHT-MKBNYLNASA-N 0 0 310.394 0.650 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCCC[C@@H]2C(F)F)CC1 ZINC000337526657 278034339 /nfs/dbraw/zinc/03/43/39/278034339.db2.gz RUZHJTWGCDSUDV-GFCCVEGCSA-N 0 0 303.353 0.797 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)C1 ZINC000328966038 278053847 /nfs/dbraw/zinc/05/38/47/278053847.db2.gz MQGWANGFSHLHFY-KBPBESRZSA-N 0 0 320.393 0.795 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1cccn1C ZINC000353820196 278072842 /nfs/dbraw/zinc/07/28/42/278072842.db2.gz ADWKBISGNOXHLQ-VHDGCEQUSA-N 0 0 305.378 0.670 10 0 DCAERN CC(C)c1nnc(CN2CCS(=O)(=O)C(C)(C)C2)n1C ZINC000176362618 278099378 /nfs/dbraw/zinc/09/93/78/278099378.db2.gz MXEVYSSASSWDBA-UHFFFAOYSA-N 0 0 300.428 0.948 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)Nc1nccn(C)c1=O ZINC000333255347 278100225 /nfs/dbraw/zinc/10/02/25/278100225.db2.gz LCPLOAYRLWNNNZ-VXGBXAGGSA-N 0 0 321.381 0.107 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC(C)(C)c2cnn(C)c2)C1 ZINC000546000367 288011882 /nfs/dbraw/zinc/01/18/82/288011882.db2.gz JDYRKTGDOGKPJE-GFCCVEGCSA-N 0 0 322.413 0.758 10 0 DCAERN CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2COCCO2)C1 ZINC000408058858 278147055 /nfs/dbraw/zinc/14/70/55/278147055.db2.gz NGTAZWGFHZGYSB-VWYCJHECSA-N 0 0 324.299 0.460 10 0 DCAERN CC1(C)C(=O)NCCN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246275626 278179192 /nfs/dbraw/zinc/17/91/92/278179192.db2.gz RLEIQTUKPALZOU-CHWSQXEVSA-N 0 0 309.410 0.367 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCc1n[nH]cc1Br ZINC000546731382 288028808 /nfs/dbraw/zinc/02/88/08/288028808.db2.gz UEJPLCMJFAAEFI-SSDOTTSWSA-N 0 0 323.216 0.991 10 0 DCAERN CNS(=O)(=O)c1ccc(CNc2ccncc2C#N)s1 ZINC000547501403 288053248 /nfs/dbraw/zinc/05/32/48/288053248.db2.gz KQMWITSIQUHNBO-UHFFFAOYSA-N 0 0 308.388 0.957 10 0 DCAERN O=C(CNC(=O)N[C@@H]1CCn2ccnc2C1)NC1CCCCC1 ZINC000547630091 288063477 /nfs/dbraw/zinc/06/34/77/288063477.db2.gz JZPOTIQWSSNERE-CYBMUJFWSA-N 0 0 319.409 0.946 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)[C@@H]1C ZINC000294219999 278687067 /nfs/dbraw/zinc/68/70/67/278687067.db2.gz RIXNTYMZRWXKLN-RKDXNWHRSA-N 0 0 302.334 0.113 10 0 DCAERN COC(=O)CC1(NC(=O)CN2CCOCC2=O)CCCCC1 ZINC000547736149 288074239 /nfs/dbraw/zinc/07/42/39/288074239.db2.gz FNRDGTNSIBYCNS-UHFFFAOYSA-N 0 0 312.366 0.227 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408134568 278830840 /nfs/dbraw/zinc/83/08/40/278830840.db2.gz UQKRNSCYQZDXKR-SECBINFHSA-N 0 0 304.334 0.818 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408457726 279012663 /nfs/dbraw/zinc/01/26/63/279012663.db2.gz CGVBOOJRPZIMOQ-FRRDWIJNSA-N 0 0 318.439 0.730 10 0 DCAERN CCc1cc(NC(=O)C(=O)N2CCO[C@H](C3CC3)C2)n(C)n1 ZINC000547944657 288095124 /nfs/dbraw/zinc/09/51/24/288095124.db2.gz XVEZVZSNFGNIQM-LBPRGKRZSA-N 0 0 306.366 0.558 10 0 DCAERN Cc1nc(N[C@H]2CCC(=O)N[C@@H]2C)sc1S(N)(=O)=O ZINC000338488753 279102692 /nfs/dbraw/zinc/10/26/92/279102692.db2.gz HOSPMNWFDQNISG-VDTYLAMSSA-N 0 0 304.397 0.178 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000548064681 288108326 /nfs/dbraw/zinc/10/83/26/288108326.db2.gz ZMCBJSGBYHHZCQ-MRXNPFEDSA-N 0 0 320.389 0.771 10 0 DCAERN O=C(C1CCN(S(=O)(=O)NC2CC2)CC1)N1CCCCC1 ZINC000548117709 288113267 /nfs/dbraw/zinc/11/32/67/288113267.db2.gz VCJMURYTWBYMSN-UHFFFAOYSA-N 0 0 315.439 0.708 10 0 DCAERN C[C@H](CNC(=O)N1CCO[C@H]2CCC[C@@H]21)CN1CCOCC1 ZINC000332854748 279331681 /nfs/dbraw/zinc/33/16/81/279331681.db2.gz DLWIRUGBDVZLER-ILXRZTDVSA-N 0 0 311.426 0.918 10 0 DCAERN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cc(C(N)=O)co1)CS2 ZINC000548295398 288129035 /nfs/dbraw/zinc/12/90/35/288129035.db2.gz VCTITGWCRSMGJW-IINYFYTJSA-N 0 0 323.374 0.449 10 0 DCAERN CCc1cc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)on1 ZINC000548388641 288138435 /nfs/dbraw/zinc/13/84/35/288138435.db2.gz KKJFCHNPDQZKMI-OAHLLOKOSA-N 0 0 305.334 0.466 10 0 DCAERN Cc1nc2cc(NC(=O)CN3CCOCC3=O)ccc2n1C ZINC000548391901 288138908 /nfs/dbraw/zinc/13/89/08/288138908.db2.gz GGLGTZVWXJOOTE-UHFFFAOYSA-N 0 0 302.334 0.679 10 0 DCAERN CN(Cc1nc2ccccc2[nH]1)C(=O)CN1CCOCC1=O ZINC000548394110 288139180 /nfs/dbraw/zinc/13/91/80/288139180.db2.gz YQJXGKDUDSRMLT-UHFFFAOYSA-N 0 0 302.334 0.380 10 0 DCAERN Cn1cc(OCC(=O)N2CCOCC3(CCOCC3)C2)cn1 ZINC000548762482 288173818 /nfs/dbraw/zinc/17/38/18/288173818.db2.gz JEZATDKXGYQOAN-UHFFFAOYSA-N 0 0 309.366 0.455 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000548800784 288177357 /nfs/dbraw/zinc/17/73/57/288177357.db2.gz SUEDWAOJLORKTQ-LBPRGKRZSA-N 0 0 304.354 0.329 10 0 DCAERN Cn1cc(OCC(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)cn1 ZINC000548863557 288182641 /nfs/dbraw/zinc/18/26/41/288182641.db2.gz WZXVLCBZMYUFJW-STQMWFEESA-N 0 0 307.350 0.396 10 0 DCAERN CO[C@@]1(CNC(=O)N[C@H]2CCCc3nn(C)cc32)CCOC1 ZINC000548887384 288185068 /nfs/dbraw/zinc/18/50/68/288185068.db2.gz SOSLTNIZLLYCSP-SWLSCSKDSA-N 0 0 308.382 0.902 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000372983126 280088462 /nfs/dbraw/zinc/08/84/62/280088462.db2.gz QTLOCMZLEMMFFH-SRVKXCTJSA-N 0 0 304.412 0.327 10 0 DCAERN CC(C)[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N1CCCC1=O ZINC000195153724 280141366 /nfs/dbraw/zinc/14/13/66/280141366.db2.gz DXLDYRXSOBCIOV-OAHLLOKOSA-N 0 0 323.437 0.960 10 0 DCAERN CC[C@@H]1C(=O)NCCN1Cc1c(Br)cnn1C ZINC000278465903 280230948 /nfs/dbraw/zinc/23/09/48/280230948.db2.gz PSEKWQAXTVXBOJ-SECBINFHSA-N 0 0 301.188 0.893 10 0 DCAERN CN(C(=O)NCCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000551559826 288230190 /nfs/dbraw/zinc/23/01/90/288230190.db2.gz CKLGWTJJSYXXNN-LBPRGKRZSA-N 0 0 304.412 0.632 10 0 DCAERN Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H](C)C(N)=O)n1 ZINC000190330088 280455709 /nfs/dbraw/zinc/45/57/09/280455709.db2.gz WRUVGRRGFJFXAJ-SECBINFHSA-N 0 0 303.326 0.274 10 0 DCAERN C[C@@H]1CN([C@H]2CCN(c3ccccc3)C2=O)CCS1(=O)=O ZINC000246953969 288253792 /nfs/dbraw/zinc/25/37/92/288253792.db2.gz FSMPAQYZLXIQJY-OCCSQVGLSA-N 0 0 308.403 0.911 10 0 DCAERN COC1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000553040244 288285191 /nfs/dbraw/zinc/28/51/91/288285191.db2.gz VBYFJYGVWUNXOD-UHFFFAOYSA-N 0 0 302.334 0.910 10 0 DCAERN CC1(C)CN(C(=O)C2(O)CCOCC2)C[C@]2(CCCOC2)O1 ZINC000333231211 281155172 /nfs/dbraw/zinc/15/51/72/281155172.db2.gz GSGVKFNSFGUEDI-HNNXBMFYSA-N 0 0 313.394 0.715 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CCN(C3CC3)CC2)CCO1 ZINC000329520100 281253934 /nfs/dbraw/zinc/25/39/34/281253934.db2.gz ZYICMWUCURRFCK-UHFFFAOYSA-N 0 0 303.428 0.122 10 0 DCAERN CC[C@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C(C)C ZINC000408246783 288315539 /nfs/dbraw/zinc/31/55/39/288315539.db2.gz OXNANLGODUHHFG-STQMWFEESA-N 0 0 302.440 0.895 10 0 DCAERN CCOc1cccc(CCNC(=O)C(=O)NCc2cc[nH]n2)c1 ZINC000555570500 288356827 /nfs/dbraw/zinc/35/68/27/288356827.db2.gz PUUHARPQRPTUHY-UHFFFAOYSA-N 0 0 316.361 0.784 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCCN(C(N)=O)CC1 ZINC000104379064 281883960 /nfs/dbraw/zinc/88/39/60/281883960.db2.gz QOUXFEUWEHAYOZ-LBPRGKRZSA-N 0 0 310.398 0.391 10 0 DCAERN C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000559764448 288479287 /nfs/dbraw/zinc/47/92/87/288479287.db2.gz FSVHCUOUIQGMSW-ZQJOYCHOSA-N 0 0 322.390 0.498 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc2nccn2c1)c1cnn(C)c1 ZINC000561004578 288523619 /nfs/dbraw/zinc/52/36/19/288523619.db2.gz XWMPYBPXYMNGQP-SNVBAGLBSA-N 0 0 312.333 0.884 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC1CC1 ZINC000564509210 288747432 /nfs/dbraw/zinc/74/74/32/288747432.db2.gz PFHDQFPQSWNZFV-UHFFFAOYSA-N 0 0 312.457 0.378 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCSC2)C1)C(C)C ZINC000564570997 288751093 /nfs/dbraw/zinc/75/10/93/288751093.db2.gz IWQDPSRRORKNFK-OCCSQVGLSA-N 0 0 300.424 0.882 10 0 DCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084983 289084404 /nfs/dbraw/zinc/08/44/04/289084404.db2.gz IYFRGKFCNUAPKN-RNCFNFMXSA-N 0 0 315.329 0.587 10 0 DCAERN CN(C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)CCO1 ZINC000408179312 289197366 /nfs/dbraw/zinc/19/73/66/289197366.db2.gz CTLMBTPZVSJGST-GFCCVEGCSA-N 0 0 318.439 0.133 10 0 DCAERN CN(C)[C@@H](CNC(=O)N1CCCN(C)C(=O)C1)c1ccco1 ZINC000189721623 289280750 /nfs/dbraw/zinc/28/07/50/289280750.db2.gz YWFQQAHGQDIBFK-LBPRGKRZSA-N 0 0 308.382 0.756 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCS(=O)CC2)[C@H]1c1cccnc1 ZINC000155835985 289818958 /nfs/dbraw/zinc/81/89/58/289818958.db2.gz WWRNQYHVMIIMME-TZMCWYRMSA-N 0 0 321.402 0.192 10 0 DCAERN CN1C[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)CC1=O ZINC000110953130 290261249 /nfs/dbraw/zinc/26/12/49/290261249.db2.gz TTZIUSKVKVREGM-UONOGXRCSA-N 0 0 309.410 0.178 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185907377 290367219 /nfs/dbraw/zinc/36/72/19/290367219.db2.gz LYWYRHPLCCQHHG-IAQYHMDHSA-N 0 0 323.780 0.864 10 0 DCAERN Cc1oc(C(=O)N2[C@H](C)COC[C@@H]2C)cc1S(N)(=O)=O ZINC000268029496 294030845 /nfs/dbraw/zinc/03/08/45/294030845.db2.gz LWKMBTRAXOXUSP-OCAPTIKFSA-N 0 0 302.352 0.485 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H](C)O1 ZINC000246058500 297058417 /nfs/dbraw/zinc/05/84/17/297058417.db2.gz VVDWGCPRVAMQLA-ITGHMWBKSA-N 0 0 318.439 0.888 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C[C@H](C)N1CCO ZINC000333186224 297060317 /nfs/dbraw/zinc/06/03/17/297060317.db2.gz QVJZQIXKBFOZFC-QKGCVVFFSA-N 0 0 316.467 0.892 10 0 DCAERN CO[C@@]1(C)C[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)C1(C)C ZINC000408185933 294136507 /nfs/dbraw/zinc/13/65/07/294136507.db2.gz OAZBQSAUPOLQPS-MFKMUULPSA-N 0 0 306.428 0.540 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)[C@@H]2CSCCS2)cn1 ZINC000181420565 294281859 /nfs/dbraw/zinc/28/18/59/294281859.db2.gz WDLCSFODKSDLPH-RYUDHWBXSA-N 0 0 312.464 0.742 10 0 DCAERN NC(=O)CCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000177193599 295041040 /nfs/dbraw/zinc/04/10/40/295041040.db2.gz JRNHRAWEAUHHJM-SECBINFHSA-N 0 0 311.773 0.488 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(Br)c1 ZINC000091782069 295120640 /nfs/dbraw/zinc/12/06/40/295120640.db2.gz IGGWBQSSZDUXFC-ZETCQYMHSA-N 0 0 319.180 0.837 10 0 DCAERN COc1cccc([C@H]2C[C@H](O)CN2CCNS(C)(=O)=O)c1 ZINC000282242606 295328798 /nfs/dbraw/zinc/32/87/98/295328798.db2.gz QBFXROGEZYMSKT-GXTWGEPZSA-N 0 0 314.407 0.352 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000261716188 295411612 /nfs/dbraw/zinc/41/16/12/295411612.db2.gz DVRAKFWWVYAHSV-GXTWGEPZSA-N 0 0 317.389 0.694 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127777766 295472627 /nfs/dbraw/zinc/47/26/27/295472627.db2.gz VBLOUIXMUPSPQV-BLLLJJGKSA-N 0 0 308.378 0.679 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456473160 295508312 /nfs/dbraw/zinc/50/83/12/295508312.db2.gz IZPHFNDAFXBJRH-CQSZACIVSA-N 0 0 322.336 0.584 10 0 DCAERN CS(=O)(=O)N1CCCN(C(=O)NC2CCCCC2)CC1 ZINC000042758552 295517041 /nfs/dbraw/zinc/51/70/41/295517041.db2.gz BVBHBGJANYMMFS-UHFFFAOYSA-N 0 0 303.428 0.996 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191749505 297150970 /nfs/dbraw/zinc/15/09/70/297150970.db2.gz JAJRWZXQPFZOMB-TXEJJXNPSA-N 0 0 318.377 0.267 10 0 DCAERN C[C@@H]1CSCCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000408202248 297182726 /nfs/dbraw/zinc/18/27/26/297182726.db2.gz LVDXOHFRUKOFNN-SECBINFHSA-N 0 0 313.466 0.331 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CCO1 ZINC000333396682 297456976 /nfs/dbraw/zinc/45/69/76/297456976.db2.gz HZQXPTASEHNLID-LPWJVIDDSA-N 0 0 316.423 0.627 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000408427110 297522793 /nfs/dbraw/zinc/52/27/93/297522793.db2.gz MMNSNKUGXXHCST-WLKRGKNCSA-N 0 0 301.412 0.204 10 0 DCAERN C[C@H](C(=O)N1CCCCC1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000408449980 298013127 /nfs/dbraw/zinc/01/31/27/298013127.db2.gz CONXRNQFAPKVRB-CHWSQXEVSA-N 0 0 302.440 0.754 10 0 DCAERN C[C@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccnc1 ZINC000132498166 298163330 /nfs/dbraw/zinc/16/33/30/298163330.db2.gz NCMMZXDFDPRIGX-WCQYABFASA-N 0 0 311.407 0.725 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000367656785 300005450 /nfs/dbraw/zinc/00/54/50/300005450.db2.gz FXTZPETVRBOUHZ-LBPRGKRZSA-N 0 0 323.393 0.879 10 0 DCAERN C[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000408336959 300275898 /nfs/dbraw/zinc/27/58/98/300275898.db2.gz AQWXMRUQVCRKAC-IUCAKERBSA-N 0 0 303.302 0.758 10 0 DCAERN C[C@H]1C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)CC(C)(C)C1 ZINC000408070108 300468675 /nfs/dbraw/zinc/46/86/75/300468675.db2.gz FJCPOWOIXWWFSJ-RYUDHWBXSA-N 0 0 319.471 0.961 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(C)s1 ZINC000179687490 301388702 /nfs/dbraw/zinc/38/87/02/301388702.db2.gz KXMTXKDNMCJUAA-VIFPVBQESA-N 0 0 304.393 0.240 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c(C)s1 ZINC000408103069 301390907 /nfs/dbraw/zinc/39/09/07/301390907.db2.gz KPNZMIAEEIQAQC-SECBINFHSA-N 0 0 320.461 0.956 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)cnc12 ZINC000194340658 302229176 /nfs/dbraw/zinc/22/91/76/302229176.db2.gz BUSBFTNVRXQVFN-CABZTGNLSA-N 0 0 314.345 0.257 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000176744464 302749233 /nfs/dbraw/zinc/74/92/33/302749233.db2.gz UNFZDCCJJRIEPV-SNVBAGLBSA-N 0 0 310.383 0.442 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261678592 302910865 /nfs/dbraw/zinc/91/08/65/302910865.db2.gz IDAAZEFBIPRUQE-AWEZNQCLSA-N 0 0 313.361 0.306 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccccc1Br ZINC000091783494 303308093 /nfs/dbraw/zinc/30/80/93/303308093.db2.gz LCTJDFJXGZIRFY-JTQLQIEISA-N 0 0 313.151 0.775 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccccc1C(F)(F)F ZINC000091779718 303333142 /nfs/dbraw/zinc/33/31/42/303333142.db2.gz RKWNUDLFWIWXEA-LLVKDONJSA-N 0 0 316.279 0.961 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1cc2ccccc2cc1O ZINC000180270314 303333659 /nfs/dbraw/zinc/33/36/59/303333659.db2.gz PUIDLZBFBDEDDZ-CYBMUJFWSA-N 0 0 300.314 0.872 10 0 DCAERN COc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 ZINC000299742465 533703116 /nfs/dbraw/zinc/70/31/16/533703116.db2.gz JJYVYXKFQHFHJX-NEPJUHHUSA-N 0 0 324.356 0.569 10 0 DCAERN CC1(C)SC[C@H]1NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000332727445 332858498 /nfs/dbraw/zinc/85/84/98/332858498.db2.gz VTQFXAKLEJBZNE-DTWKUNHWSA-N 0 0 307.441 0.343 10 0 DCAERN CN(C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@@H]1CCNC1=O ZINC000332753012 332862827 /nfs/dbraw/zinc/86/28/27/332862827.db2.gz GHHJMRPYEYZEDU-NWDGAFQWSA-N 0 0 303.366 0.190 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)[C@H]1CCNC1=O)CC2 ZINC000332889415 332895545 /nfs/dbraw/zinc/89/55/45/332895545.db2.gz QKNROSWWMBXLER-QWRGUYRKSA-N 0 0 320.397 0.246 10 0 DCAERN C[C@H]1C(=O)NCCCN1Cc1cnc(N2CCOCC2)s1 ZINC000189083240 333062858 /nfs/dbraw/zinc/06/28/58/333062858.db2.gz OJAULZHALWMSOW-NSHDSACASA-N 0 0 310.423 0.690 10 0 DCAERN Cn1cnc(-c2ccc(OC[C@@H](O)CN3CCOCC3)cc2)n1 ZINC000189471113 333090094 /nfs/dbraw/zinc/09/00/94/333090094.db2.gz CRRHUGKEFBAYBA-AWEZNQCLSA-N 0 0 318.377 0.554 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)CCN2CCCS2(=O)=O)O1 ZINC000189613293 333163812 /nfs/dbraw/zinc/16/38/12/333163812.db2.gz FJQIQHGVLQGZFC-LLVKDONJSA-N 0 0 304.412 0.486 10 0 DCAERN O=C(NC1CN(C(=O)NCCCOCC(F)(F)F)C1)C1CC1 ZINC000190215738 336260977 /nfs/dbraw/zinc/26/09/77/336260977.db2.gz RJICVKCZVQLMTJ-UHFFFAOYSA-N 0 0 323.315 0.875 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000584401619 337318875 /nfs/dbraw/zinc/31/88/75/337318875.db2.gz SINGUVSSKLVPIL-NSHDSACASA-N 0 0 306.370 0.308 10 0 DCAERN CC(=O)N[C@@H](C(=O)N(C)[C@H](Cc1ccccc1)C(N)=O)C(C)C ZINC000584602172 337371047 /nfs/dbraw/zinc/37/10/47/337371047.db2.gz IJZUQRXRUHIOGK-HUUCEWRRSA-N 0 0 319.405 0.702 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)NCCOCC2CCC2)CC1 ZINC000580610291 341885132 /nfs/dbraw/zinc/88/51/32/341885132.db2.gz JNCVPHSEYRAPFU-UHFFFAOYSA-N 0 0 304.412 0.680 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccccc1F ZINC000155770599 533737263 /nfs/dbraw/zinc/73/72/63/533737263.db2.gz FXYGJVCLPSUFEY-UWVGGRQHSA-N 0 0 307.325 0.877 10 0 DCAERN C[C@H](NCc1nnn(C)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400727712 533950230 /nfs/dbraw/zinc/95/02/30/533950230.db2.gz PWHZYQDPOQTJSV-WDEREUQCSA-N 0 0 310.402 0.945 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187129415 534170628 /nfs/dbraw/zinc/17/06/28/534170628.db2.gz PHTUOJBOYSSGGV-ZDUSSCGKSA-N 0 0 305.378 0.459 10 0 DCAERN COc1ccccc1OCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188716860 534192792 /nfs/dbraw/zinc/19/27/92/534192792.db2.gz YTCSCLBJFDRRPJ-ZDUSSCGKSA-N 0 0 308.378 0.599 10 0 DCAERN C[C@@]12CCN(C(=O)Cn3cnc4c3ncnc4N)C[C@@H]1C2(F)F ZINC000294815095 534276804 /nfs/dbraw/zinc/27/68/04/534276804.db2.gz VCTXICOKMYWGJM-ISVAXAHUSA-N 0 0 322.319 0.912 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)n1C ZINC000293549972 518023639 /nfs/dbraw/zinc/02/36/39/518023639.db2.gz RFBIWKFQLJOKJG-OAHLLOKOSA-N 0 0 308.334 0.443 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC000183156650 518126748 /nfs/dbraw/zinc/12/67/48/518126748.db2.gz NZTYFBHGSCRUGL-LLVKDONJSA-N 0 0 319.365 0.607 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1 ZINC000128108534 518320861 /nfs/dbraw/zinc/32/08/61/518320861.db2.gz YOPNMAKICDVBPM-HNNXBMFYSA-N 0 0 306.362 0.312 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000155648606 518359368 /nfs/dbraw/zinc/35/93/68/518359368.db2.gz FCTFUCBIJAVYTO-LLVKDONJSA-N 0 0 324.402 0.947 10 0 DCAERN CC(C)(C(=O)NCCN1C(=O)CNC1=O)c1ccccc1F ZINC000113193246 518523001 /nfs/dbraw/zinc/52/30/01/518523001.db2.gz ZKCYQGYZFJFUMU-UHFFFAOYSA-N 0 0 307.325 0.771 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1N1CCOCC1 ZINC000173962643 534413107 /nfs/dbraw/zinc/41/31/07/534413107.db2.gz GSAAQNBVXNNRJE-MNOVXSKESA-N 0 0 323.418 0.640 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190485757 519418082 /nfs/dbraw/zinc/41/80/82/519418082.db2.gz SMJNGHVZQPNNBW-UHFFFAOYSA-N 0 0 318.373 0.934 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@H](c3noc(C(C)C)n3)C2)C1 ZINC000364808846 519486934 /nfs/dbraw/zinc/48/69/34/519486934.db2.gz YQCUHZVYXRGWOY-LBPRGKRZSA-N 0 0 322.365 0.571 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)C1 ZINC000188428661 519492888 /nfs/dbraw/zinc/49/28/88/519492888.db2.gz CIALBBCRKBYMAY-HNNXBMFYSA-N 0 0 317.389 0.280 10 0 DCAERN CC(=O)NC1CN(C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000190004124 519647453 /nfs/dbraw/zinc/64/74/53/519647453.db2.gz QWTIQMYJHKOKKM-UHFFFAOYSA-N 0 0 316.361 0.106 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000191339580 519647850 /nfs/dbraw/zinc/64/78/50/519647850.db2.gz PQTLYOVNPJTKKB-UHFFFAOYSA-N 0 0 311.288 0.910 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000189807110 519648397 /nfs/dbraw/zinc/64/83/97/519648397.db2.gz SSTPMEXJOBDFQE-UHFFFAOYSA-N 0 0 314.349 0.297 10 0 DCAERN CC(=O)NC1CN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000191729882 519649734 /nfs/dbraw/zinc/64/97/34/519649734.db2.gz ZKEOVPDZKKLAIV-HNNXBMFYSA-N 0 0 316.405 0.834 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)CC1=O ZINC000267553797 519696150 /nfs/dbraw/zinc/69/61/50/519696150.db2.gz DTIJRBQJLVIJBV-CHWSQXEVSA-N 0 0 320.397 0.634 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C12CCOCC2 ZINC000186460239 520421032 /nfs/dbraw/zinc/42/10/32/520421032.db2.gz AJQGDSVOQLDEFH-QWHCGFSZSA-N 0 0 321.377 0.818 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccc(O)cc2)C[C@@H](CO)O1 ZINC000163291752 520491408 /nfs/dbraw/zinc/49/14/08/520491408.db2.gz WBRULTDCQIKDOQ-NSHDSACASA-N 0 0 301.364 0.553 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000301494385 534504279 /nfs/dbraw/zinc/50/42/79/534504279.db2.gz ATFCKCIFKKLEQZ-LBPRGKRZSA-N 0 0 305.382 0.124 10 0 DCAERN CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000190129836 520636671 /nfs/dbraw/zinc/63/66/71/520636671.db2.gz QBIBSAQBPUUNST-STQMWFEESA-N 0 0 305.378 0.875 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)NCC1(CCO)CC1 ZINC000187993506 534514639 /nfs/dbraw/zinc/51/46/39/534514639.db2.gz XRXMGWPLHDCYQV-UHFFFAOYSA-N 0 0 302.330 0.561 10 0 DCAERN CCOC(=O)CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104282299 520789639 /nfs/dbraw/zinc/78/96/39/520789639.db2.gz YJKDQYNXCQNAHU-UHFFFAOYSA-N 0 0 309.713 0.609 10 0 DCAERN NC(=O)c1coc(CNC(=O)NCC(=O)NC2CCCCC2)c1 ZINC000186642083 534517935 /nfs/dbraw/zinc/51/79/35/534517935.db2.gz FXBINEJMBJDXCQ-UHFFFAOYSA-N 0 0 322.365 0.627 10 0 DCAERN CC1=NN(c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000152200918 520893398 /nfs/dbraw/zinc/89/33/98/520893398.db2.gz DZIYXCBJZPRUFN-ZDUSSCGKSA-N 0 0 314.345 0.808 10 0 DCAERN CCC(CC)c1cc(CNC(=O)C[C@@H]2NC(=O)NC2=O)on1 ZINC000156406917 521633062 /nfs/dbraw/zinc/63/30/62/521633062.db2.gz FFJBPPAGHZIINR-NSHDSACASA-N 0 0 308.338 0.793 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000246793499 521656503 /nfs/dbraw/zinc/65/65/03/521656503.db2.gz QPHOHZBODLLGGK-RYUDHWBXSA-N 0 0 320.455 0.978 10 0 DCAERN CCNC(=O)CN(CC)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190460395 521736866 /nfs/dbraw/zinc/73/68/66/521736866.db2.gz FHZCFYIZMXMHQH-UHFFFAOYSA-N 0 0 318.370 0.981 10 0 DCAERN CCc1cccc2c(CC(=O)N(CC(N)=O)CC(N)=O)c[nH]c21 ZINC000113166776 521787457 /nfs/dbraw/zinc/78/74/57/521787457.db2.gz JJCNBQVSNYWHHB-UHFFFAOYSA-N 0 0 316.361 0.072 10 0 DCAERN COc1c(CN2CCN(CC(=O)NC3CC3)CC2)c(C)nn1C ZINC000120763721 521815652 /nfs/dbraw/zinc/81/56/52/521815652.db2.gz WLGJGQKITLIIST-UHFFFAOYSA-N 0 0 321.425 0.133 10 0 DCAERN CCc1ccccc1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000187940548 521824310 /nfs/dbraw/zinc/82/43/10/521824310.db2.gz LRHAXWHHTVEAEP-UHFFFAOYSA-N 0 0 301.346 0.828 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCC[S@@](C)=O)cc1 ZINC000116902137 521859141 /nfs/dbraw/zinc/85/91/41/521859141.db2.gz VWXCZMNEMPVNMT-IBGZPJMESA-N 0 0 318.420 0.093 10 0 DCAERN CC[C@H](C)[C@@H](O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000155684642 521868989 /nfs/dbraw/zinc/86/89/89/521868989.db2.gz IXMSVQOVHYPPOR-FZMZJTMJSA-N 0 0 303.362 0.920 10 0 DCAERN C[NH+](C)Cc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000365981350 521932890 /nfs/dbraw/zinc/93/28/90/521932890.db2.gz NUFBBIOFDOAJJB-ZDUSSCGKSA-N 0 0 316.365 0.475 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H](C)[C@H](C)CO)c1CC ZINC000158906733 522128687 /nfs/dbraw/zinc/12/86/87/522128687.db2.gz ALDWLHLPEUWWEJ-ZJUUUORDSA-N 0 0 310.398 0.711 10 0 DCAERN COC[C@@H](C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000130199251 522174334 /nfs/dbraw/zinc/17/43/34/522174334.db2.gz QMGAHAFKHRQTNT-SNVBAGLBSA-N 0 0 320.436 0.767 10 0 DCAERN COC(=O)c1cccc(CS(=O)(=O)NC[C@@H](O)C(C)C)c1 ZINC000158845856 522215361 /nfs/dbraw/zinc/21/53/61/522215361.db2.gz OFEMHAOVLVIJIZ-CYBMUJFWSA-N 0 0 315.391 0.910 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000132412642 522315900 /nfs/dbraw/zinc/31/59/00/522315900.db2.gz CHFPSBCSJZUHQA-YUMQZZPRSA-N 0 0 306.409 0.403 10 0 DCAERN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000126738724 522598555 /nfs/dbraw/zinc/59/85/55/522598555.db2.gz ZRBGZRKILQCVEF-RYUDHWBXSA-N 0 0 324.402 0.491 10 0 DCAERN COc1cc(S(=O)(=O)NCCNC(=O)C(C)C)ccc1F ZINC000190463197 522896996 /nfs/dbraw/zinc/89/69/96/522896996.db2.gz RIYSZNZXQBHPGE-UHFFFAOYSA-N 0 0 318.370 0.885 10 0 DCAERN COC(=O)CCCC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000131188985 522956900 /nfs/dbraw/zinc/95/69/00/522956900.db2.gz WJCCPIMECCMYAH-CYBMUJFWSA-N 0 0 309.366 0.762 10 0 DCAERN COCc1cccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187930826 523083943 /nfs/dbraw/zinc/08/39/43/523083943.db2.gz YWDZZDBREIDYCA-UHFFFAOYSA-N 0 0 324.402 0.732 10 0 DCAERN CCn1cc([C@@H]2CN(S(=O)(=O)CCCF)CCO2)cn1 ZINC000189229428 523466074 /nfs/dbraw/zinc/46/60/74/523466074.db2.gz ONWKJALAFQFGID-LBPRGKRZSA-N 0 0 305.375 0.966 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cccn(C)c2=O)CC[C@H]1C ZINC000191312791 523730188 /nfs/dbraw/zinc/73/01/88/523730188.db2.gz GDVFPBFMSZOHGA-ZYHUDNBSSA-N 0 0 307.350 0.207 10 0 DCAERN COCCN(Cc1ccc(C)o1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000366377727 523749511 /nfs/dbraw/zinc/74/95/11/523749511.db2.gz RFQMLUVRBNRTIZ-UKRRQHHQSA-N 0 0 324.377 0.545 10 0 DCAERN CCc1cc(NC(=O)C(=O)N(C)[C@H](CO)CC(C)C)n(C)n1 ZINC000191106215 523798410 /nfs/dbraw/zinc/79/84/10/523798410.db2.gz FURNMNSTFAEEAF-LBPRGKRZSA-N 0 0 310.398 0.786 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000187985257 523965958 /nfs/dbraw/zinc/96/59/58/523965958.db2.gz LTUOPPOELDICIU-UHFFFAOYSA-N 0 0 315.373 0.925 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@@H](C)O1 ZINC000157922994 523969194 /nfs/dbraw/zinc/96/91/94/523969194.db2.gz GSCMQUQAYKWERJ-GMSGAONNSA-N 0 0 316.741 0.968 10 0 DCAERN COC(=O)[C@H]1C[C@H](O)CN1Cc1cnn(-c2ccccc2)n1 ZINC000188605405 523990801 /nfs/dbraw/zinc/99/08/01/523990801.db2.gz FTWJYOGQUMZNST-UONOGXRCSA-N 0 0 302.334 0.376 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000246110806 523992732 /nfs/dbraw/zinc/99/27/32/523992732.db2.gz JSAOUMPONZQTKV-DCAQKATOSA-N 0 0 308.386 0.715 10 0 DCAERN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000189586073 523997894 /nfs/dbraw/zinc/99/78/94/523997894.db2.gz AHJMFVLGFDMGLZ-UONOGXRCSA-N 0 0 320.349 0.573 10 0 DCAERN CO[C@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC[C@@H]1C ZINC000190544543 524007510 /nfs/dbraw/zinc/00/75/10/524007510.db2.gz DQJWGXDFPNNSNV-GWCFXTLKSA-N 0 0 312.391 0.831 10 0 DCAERN CN1C[C@@H](NS(=O)(=O)C2=Cc3ccccc3OC2)CCC1=O ZINC000187998716 524012458 /nfs/dbraw/zinc/01/24/58/524012458.db2.gz FIBTXPWPKJRJIS-LBPRGKRZSA-N 0 0 322.386 0.960 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155643059 524212645 /nfs/dbraw/zinc/21/26/45/524212645.db2.gz IQFAVRCQVIZGGY-OLZOCXBDSA-N 0 0 310.419 0.810 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2ccccn2)CCS1(=O)=O ZINC000121828278 524482551 /nfs/dbraw/zinc/48/25/51/524482551.db2.gz SQIYHJDXFUMEBF-NSHDSACASA-N 0 0 314.432 0.960 10 0 DCAERN C[C@H]1CN(C(=O)NC2Cc3ccccc3C2)CCS1(=O)=O ZINC000131636013 524492927 /nfs/dbraw/zinc/49/29/27/524492927.db2.gz YVWXJORDIBIGQD-NSHDSACASA-N 0 0 308.403 0.982 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000150997722 524571692 /nfs/dbraw/zinc/57/16/92/524571692.db2.gz CXRMOOUAKMGCQX-UHFFFAOYSA-N 0 0 324.402 0.969 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000126867520 524572229 /nfs/dbraw/zinc/57/22/29/524572229.db2.gz MOBGLADSILKSOV-SFYZADRCSA-N 0 0 320.798 0.734 10 0 DCAERN C[C@H]1COCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000267026922 524713060 /nfs/dbraw/zinc/71/30/60/524713060.db2.gz DBWYGIIUSBTDPD-MGPLVRAMSA-N 0 0 317.345 0.602 10 0 DCAERN C[C@@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188298966 524803530 /nfs/dbraw/zinc/80/35/30/524803530.db2.gz RELQULBJPYDFCN-GWCFXTLKSA-N 0 0 309.341 0.607 10 0 DCAERN Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C)C3=O)CC2=O)cc1 ZINC000152598061 524980835 /nfs/dbraw/zinc/98/08/35/524980835.db2.gz MQNCCQPLJYDNRD-JSGCOSHPSA-N 0 0 315.373 0.695 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c(F)c1 ZINC000187979439 524993999 /nfs/dbraw/zinc/99/39/99/524993999.db2.gz GDXSKOJTRSXTJB-UHFFFAOYSA-N 0 0 319.336 0.810 10 0 DCAERN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1cccc(Cl)c1 ZINC000124415095 525042808 /nfs/dbraw/zinc/04/28/08/525042808.db2.gz NPOQKFKFFYVMHJ-SECBINFHSA-N 0 0 311.769 0.722 10 0 DCAERN Cc1ccccc1NC(=O)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889354 525237453 /nfs/dbraw/zinc/23/74/53/525237453.db2.gz JJIDPWBYMOQWNJ-LBPRGKRZSA-N 0 0 311.407 0.557 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)C2)ccc1F ZINC000159175941 525399848 /nfs/dbraw/zinc/39/98/48/525399848.db2.gz JEPACHCWQCLELU-JTQLQIEISA-N 0 0 321.395 0.942 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CC(NC(C)=O)C1)CO2 ZINC000190527624 525542566 /nfs/dbraw/zinc/54/25/66/525542566.db2.gz LWLHTOMZQCWVJX-LBPRGKRZSA-N 0 0 304.346 0.593 10 0 DCAERN C[C@@]1(C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CCCO1 ZINC000267963421 525786358 /nfs/dbraw/zinc/78/63/58/525786358.db2.gz JIMXXAXNWBMXTR-BONVTDFDSA-N 0 0 306.366 0.784 10 0 DCAERN CS[C@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000365463968 525904611 /nfs/dbraw/zinc/90/46/11/525904611.db2.gz MGGVXLGNQTVWQN-MROQNXINSA-N 0 0 300.424 0.759 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@](O)(C(N)=O)C2)c1 ZINC000285254984 534892379 /nfs/dbraw/zinc/89/23/79/534892379.db2.gz ZGUDHQGWOPFQDT-MGPLVRAMSA-N 0 0 319.361 0.138 10 0 DCAERN COc1cccc(CO[C@H](C)C(=O)N2CC(NC(C)=O)C2)c1 ZINC000190486273 526056328 /nfs/dbraw/zinc/05/63/28/526056328.db2.gz SVOIIOMFCZKFND-LLVKDONJSA-N 0 0 306.362 0.947 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCOC[C@H]1CCOC1 ZINC000364982401 526201736 /nfs/dbraw/zinc/20/17/36/526201736.db2.gz LHAGWRXQEODZCI-CHWSQXEVSA-N 0 0 313.398 0.350 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000188865545 526202452 /nfs/dbraw/zinc/20/24/52/526202452.db2.gz GOVVSRFEMRCEAG-MFKMUULPSA-N 0 0 302.330 0.505 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186008618 526307563 /nfs/dbraw/zinc/30/75/63/526307563.db2.gz KCRKCNKGVBGJFR-AWEZNQCLSA-N 0 0 312.391 0.626 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767154 526310951 /nfs/dbraw/zinc/31/09/51/526310951.db2.gz UUXXQLLWDDYCFB-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN O=C(NCCSC(F)(F)F)N1CCN2CCOC[C@@H]2C1 ZINC000364640968 526370943 /nfs/dbraw/zinc/37/09/43/526370943.db2.gz HOUKPAYZVHDBLY-VIFPVBQESA-N 0 0 313.345 0.965 10 0 DCAERN O=C(CCCNC(=O)N1CC(CO)C1)N1CCc2ccccc21 ZINC000188848796 526435829 /nfs/dbraw/zinc/43/58/29/526435829.db2.gz APMJVBWOFXGETP-UHFFFAOYSA-N 0 0 317.389 0.990 10 0 DCAERN Cc1csc([C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C2CC2)n1 ZINC000156400515 526438387 /nfs/dbraw/zinc/43/83/87/526438387.db2.gz ILTJNDGILBICJV-WCBMZHEXSA-N 0 0 308.363 0.617 10 0 DCAERN O=C([C@@H]1CCCCO1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000123902104 526465958 /nfs/dbraw/zinc/46/59/58/526465958.db2.gz OARRGRBLRRASJS-LBPRGKRZSA-N 0 0 316.365 0.342 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1nccc2ccccc21 ZINC000128055298 526484552 /nfs/dbraw/zinc/48/45/52/526484552.db2.gz ZAHCFIMWONMYPH-CQSZACIVSA-N 0 0 315.373 0.658 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1c(F)ccc(F)c1F ZINC000127314913 526484866 /nfs/dbraw/zinc/48/48/66/526484866.db2.gz LQKVEPYCOOSHGN-SECBINFHSA-N 0 0 318.295 0.527 10 0 DCAERN Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)n1 ZINC000128851683 526650269 /nfs/dbraw/zinc/65/02/69/526650269.db2.gz FTLONTIAJSBHES-VXGBXAGGSA-N 0 0 321.381 0.888 10 0 DCAERN Cc1nc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000152331398 526788845 /nfs/dbraw/zinc/78/88/45/526788845.db2.gz ZNEVRMRJADBYDY-JTQLQIEISA-N 0 0 317.436 0.453 10 0 DCAERN NC(=O)CNC(=O)c1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000158477533 526888288 /nfs/dbraw/zinc/88/82/88/526888288.db2.gz ORZFPVONGGCJQU-SECBINFHSA-N 0 0 306.240 0.204 10 0 DCAERN NC(=O)CSCC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000162069257 526897608 /nfs/dbraw/zinc/89/76/08/526897608.db2.gz ABUHAKRQWHUGOU-SECBINFHSA-N 0 0 300.405 0.867 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)N1CCNC(=O)CC1 ZINC000154559312 527051276 /nfs/dbraw/zinc/05/12/76/527051276.db2.gz BJMAWVCWVCQQGC-NSHDSACASA-N 0 0 321.356 0.331 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 ZINC000159113784 527062882 /nfs/dbraw/zinc/06/28/82/527062882.db2.gz ZJSNVATUPLDZFN-KGLIPLIRSA-N 0 0 312.329 0.960 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc(-n2ccnn2)c1 ZINC000133940800 527072049 /nfs/dbraw/zinc/07/20/49/527072049.db2.gz WKLOEQYQOWJCPB-LBPRGKRZSA-N 0 0 309.333 0.604 10 0 DCAERN Cc1nc([C@H]2CCCN2CC(=O)N2CCNC(=O)C2)cs1 ZINC000189783393 527080278 /nfs/dbraw/zinc/08/02/78/527080278.db2.gz QLKZBTWPAVNDPY-GFCCVEGCSA-N 0 0 308.407 0.547 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000331337730 527138090 /nfs/dbraw/zinc/13/80/90/527138090.db2.gz QYZDIZYSXZPDBP-KRWDZBQOSA-N 0 0 304.390 0.713 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cn1 ZINC000135291676 527154389 /nfs/dbraw/zinc/15/43/89/527154389.db2.gz VQGSCBHVWPCVPH-GFCCVEGCSA-N 0 0 314.349 0.178 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187476263 527189187 /nfs/dbraw/zinc/18/91/87/527189187.db2.gz NUCFZBDQVDKRLI-GFCCVEGCSA-N 0 0 318.381 0.341 10 0 DCAERN O=C(NC1CCCC1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000130824632 527506211 /nfs/dbraw/zinc/50/62/11/527506211.db2.gz RQHSZFUJJBLPGN-UHFFFAOYSA-N 0 0 315.381 0.899 10 0 DCAERN O=C(NC1CCN(C(=O)[C@@H]2COCCN2)CC1)C1CCCCC1 ZINC000153811600 527523282 /nfs/dbraw/zinc/52/32/82/527523282.db2.gz NAUPDHXHJCSFPB-HNNXBMFYSA-N 0 0 323.437 0.662 10 0 DCAERN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120986236 527550884 /nfs/dbraw/zinc/55/08/84/527550884.db2.gz IZVVCSTZPFZPCF-LBPRGKRZSA-N 0 0 320.393 1.000 10 0 DCAERN Cn1nccc1C1CCN(C(=O)NCCN2CCOCC2)CC1 ZINC000154820302 527597399 /nfs/dbraw/zinc/59/73/99/527597399.db2.gz RLPMIWTZMGMGTA-UHFFFAOYSA-N 0 0 321.425 0.641 10 0 DCAERN Cn1nccc1CCC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000130500929 527603274 /nfs/dbraw/zinc/60/32/74/527603274.db2.gz DGFFCQRJVPVFNY-ZDUSSCGKSA-N 0 0 319.386 0.998 10 0 DCAERN Cn1nccc1NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000154951279 527617723 /nfs/dbraw/zinc/61/77/23/527617723.db2.gz QAKLDFBAWPPMDQ-GFCCVEGCSA-N 0 0 321.381 0.523 10 0 DCAERN Cn1nnnc1N1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000369442217 527657518 /nfs/dbraw/zinc/65/75/18/527657518.db2.gz XONFAJPNQWANAB-GFCCVEGCSA-N 0 0 314.349 0.035 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)NC)ccc21 ZINC000299652105 527857481 /nfs/dbraw/zinc/85/74/81/527857481.db2.gz JPRKVPIBSZWOLH-GXTWGEPZSA-N 0 0 324.402 0.909 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180980419 528211973 /nfs/dbraw/zinc/21/19/73/528211973.db2.gz MKEDHSXEMHJFQD-GFCCVEGCSA-N 0 0 301.416 0.577 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000172743690 528307982 /nfs/dbraw/zinc/30/79/82/528307982.db2.gz GWIGBKLCYSSDBH-CABCVRRESA-N 0 0 323.437 0.568 10 0 DCAERN CCC(CC)NS(=O)(=O)c1ccc(N2CC(CO)C2)nc1 ZINC000192180670 528803761 /nfs/dbraw/zinc/80/37/61/528803761.db2.gz OGIVMBYOHLVXDJ-UHFFFAOYSA-N 0 0 313.423 0.977 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCNC(=O)C(C)C ZINC000178759544 528889705 /nfs/dbraw/zinc/88/97/05/528889705.db2.gz SOCRYNPVWZZHTG-UHFFFAOYSA-N 0 0 309.370 0.120 10 0 DCAERN CC1(C)CN(Cc2cc(=O)n3ccccc3n2)CCS1(=O)=O ZINC000155335561 529123061 /nfs/dbraw/zinc/12/30/61/529123061.db2.gz JXOXZHPKGQGOMJ-UHFFFAOYSA-N 0 0 321.402 0.704 10 0 DCAERN CC[C@H](SC)C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000328639454 529170683 /nfs/dbraw/zinc/17/06/83/529170683.db2.gz PNEPMKHDHBTKEO-MNOVXSKESA-N 0 0 303.428 0.822 10 0 DCAERN CC1CC(NC(=O)N2CCN(c3cncc4ncnn43)CC2)C1 ZINC000275642577 535255423 /nfs/dbraw/zinc/25/54/23/535255423.db2.gz KDABMISUKMLVSF-UHFFFAOYSA-N 0 0 315.381 0.754 10 0 DCAERN CN(CCNC(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000457564508 536380756 /nfs/dbraw/zinc/38/07/56/536380756.db2.gz YJQFFKDDGWSZES-AWEZNQCLSA-N 0 0 318.381 0.075 10 0 DCAERN COC[C@H]1CN(c2nc3c(cnn3C)c(N)n2)CC(C)(C)O1 ZINC000285090732 536591525 /nfs/dbraw/zinc/59/15/25/536591525.db2.gz QEGWISTWIWSMOK-SECBINFHSA-N 0 0 306.370 0.576 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2ccccc2C)C1 ZINC000284787017 536776275 /nfs/dbraw/zinc/77/62/75/536776275.db2.gz YRXGDEUFUDOONP-KBPBESRZSA-N 0 0 305.378 0.186 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2cccc(C)c2)C1 ZINC000284588328 536776637 /nfs/dbraw/zinc/77/66/37/536776637.db2.gz IUBLDMWTKRMXKW-KBPBESRZSA-N 0 0 305.378 0.186 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)NC[C@H]2CN3CCN2CC3)c1 ZINC000457669193 536882535 /nfs/dbraw/zinc/88/25/35/536882535.db2.gz SQSGQARFZHSUJF-HNNXBMFYSA-N 0 0 317.389 0.511 10 0 DCAERN COc1nccc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000285229503 537146818 /nfs/dbraw/zinc/14/68/18/537146818.db2.gz PTHCBWMZZWHTEW-QWRGUYRKSA-N 0 0 307.354 0.422 10 0 DCAERN CCOc1ccc([C@H](C)NC(=O)Cn2ccc(=O)[nH]c2=O)cc1 ZINC000026052345 545643018 /nfs/dbraw/zinc/64/30/18/545643018.db2.gz BLJNMAJHSIHHOV-NSHDSACASA-N 0 0 317.345 0.813 10 0 DCAERN CC[C@@H](C)NC(=O)Cn1c2cccnc2n(CC)c(=O)c1=O ZINC000035449693 545644700 /nfs/dbraw/zinc/64/47/00/545644700.db2.gz KWGQIQHVXXYBMX-SNVBAGLBSA-N 0 0 304.350 0.493 10 0 DCAERN CCn1nccc1C(=O)N[C@@H]1CCN(c2nccnc2OC)C1 ZINC000065268673 545659525 /nfs/dbraw/zinc/65/95/25/545659525.db2.gz BOCANWBMGGSRKF-LLVKDONJSA-N 0 0 316.365 0.710 10 0 DCAERN O=C(Cc1ccon1)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000074807455 545671926 /nfs/dbraw/zinc/67/19/26/545671926.db2.gz QRXOBFIXTZGZPS-AWEZNQCLSA-N 0 0 321.377 0.847 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000075656368 545674742 /nfs/dbraw/zinc/67/47/42/545674742.db2.gz BAEODBIZXGJCJN-GHMZBOCLSA-N 0 0 310.441 0.082 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCn4ncnc43)cnc12 ZINC000091068861 545718773 /nfs/dbraw/zinc/71/87/73/545718773.db2.gz PQQODYILTWBNTE-GFCCVEGCSA-N 0 0 324.344 0.859 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000123295676 545752657 /nfs/dbraw/zinc/75/26/57/545752657.db2.gz VFCFGACMZXIFJK-KGLIPLIRSA-N 0 0 320.455 0.274 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cc1S(C)(=O)=O ZINC000129169867 545782791 /nfs/dbraw/zinc/78/27/91/545782791.db2.gz ONDGJSUVZZGRCU-MWLCHTKSSA-N 0 0 310.375 0.862 10 0 DCAERN COc1ccc(S(=O)(=O)NC2(CO)CC2)cc1NC(C)=O ZINC000143164834 545809463 /nfs/dbraw/zinc/80/94/63/545809463.db2.gz AJYYKAWXLVISQE-UHFFFAOYSA-N 0 0 314.363 0.457 10 0 DCAERN CS(=O)(=O)NCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000177936112 545892857 /nfs/dbraw/zinc/89/28/57/545892857.db2.gz XBRMALXAHGHPEE-AAEUAGOBSA-N 0 0 304.412 0.079 10 0 DCAERN CCc1noc(C)c1NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000178844350 545896899 /nfs/dbraw/zinc/89/68/99/545896899.db2.gz PANVCBDZYKUMHM-JTQLQIEISA-N 0 0 301.368 0.908 10 0 DCAERN Cc1c(C(=O)NCCCn2ccnn2)cnn1-c1ccccn1 ZINC000182920389 545906280 /nfs/dbraw/zinc/90/62/80/545906280.db2.gz HOPGGIATYSSWSS-UHFFFAOYSA-N 0 0 311.349 0.987 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000184992412 545911983 /nfs/dbraw/zinc/91/19/83/545911983.db2.gz NQENLKOPJGIPJX-AWEZNQCLSA-N 0 0 322.409 0.688 10 0 DCAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185034112 545912259 /nfs/dbraw/zinc/91/22/59/545912259.db2.gz KGPUJASZHNBARX-OLZOCXBDSA-N 0 0 307.394 0.228 10 0 DCAERN CC(C)(O)CN1CCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000188456592 545917411 /nfs/dbraw/zinc/91/74/11/545917411.db2.gz JSORNELNELUMSR-UHFFFAOYSA-N 0 0 308.407 0.925 10 0 DCAERN CCOc1cnc(C(=O)N2CCN(C[C@@H](O)CC)CC2)cn1 ZINC000189151526 545919498 /nfs/dbraw/zinc/91/94/98/545919498.db2.gz FOFRAHHTFFQQNU-LBPRGKRZSA-N 0 0 308.382 0.404 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2CCC(O)CC2)C[C@@H](C)O1 ZINC000227647486 545944586 /nfs/dbraw/zinc/94/45/86/545944586.db2.gz RFFZQDMVDJNNEY-OKZRHMCRSA-N 0 0 306.428 0.481 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246508629 545965159 /nfs/dbraw/zinc/96/51/59/545965159.db2.gz SPQYNVUERDJXIM-JHJVBQTASA-N 0 0 321.381 0.182 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000249039368 545970529 /nfs/dbraw/zinc/97/05/29/545970529.db2.gz BAEODBIZXGJCJN-MNOVXSKESA-N 0 0 310.441 0.082 10 0 DCAERN C[C@H]1CN(c2ncc(I)cn2)CC(=O)N1 ZINC000306960366 546021144 /nfs/dbraw/zinc/02/11/44/546021144.db2.gz YYIMIPNLKBMSPJ-LURJTMIESA-N 0 0 318.118 0.406 10 0 DCAERN C[C@]12CCCN1C(=O)N([C@H]1CCCN(S(C)(=O)=O)C1)C2=O ZINC000329387152 546047708 /nfs/dbraw/zinc/04/77/08/546047708.db2.gz SSVKGSXRDUOZFM-GXFFZTMASA-N 0 0 315.395 0.227 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000329665881 546053792 /nfs/dbraw/zinc/05/37/92/546053792.db2.gz KQNFUFKAYXXUPY-NDBYEHHHSA-N 0 0 308.378 0.797 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000332797648 546060918 /nfs/dbraw/zinc/06/09/18/546060918.db2.gz VUEQSDJNZJOBGX-USZNOCQGSA-N 0 0 309.370 0.844 10 0 DCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@@H](C)[C@@H]2CCCO2)n1 ZINC000332934416 546066674 /nfs/dbraw/zinc/06/66/74/546066674.db2.gz KQMMNKSPGWOKAT-GMNPVEAJSA-N 0 0 310.354 0.763 10 0 DCAERN C[C@H]1CCCc2nc(S(=O)(=O)N[C@@H]3CCCNC3=O)cn21 ZINC000333171601 546073276 /nfs/dbraw/zinc/07/32/76/546073276.db2.gz NVRCRHDPFZECGO-VHSXEESVSA-N 0 0 312.395 0.337 10 0 DCAERN Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@H](F)C2)CC(=O)N1C ZINC000333481022 546082159 /nfs/dbraw/zinc/08/21/59/546082159.db2.gz HHPVTKGRDCWOAL-OPQQBVKSSA-N 0 0 309.345 0.445 10 0 DCAERN COCCN(C(=O)N[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000359122778 546197542 /nfs/dbraw/zinc/19/75/42/546197542.db2.gz LXJKSWNYSUMXBL-MNOVXSKESA-N 0 0 304.412 0.630 10 0 DCAERN C[C@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1N1CCOCC1 ZINC000669321494 546956700 /nfs/dbraw/zinc/95/67/00/546956700.db2.gz PYCMMWZOAOZPEB-WCQYABFASA-N 0 0 315.377 0.702 10 0 DCAERN C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000089904394 658398327 /nfs/dbraw/zinc/39/83/27/658398327.db2.gz KXFBFZPYQXETGM-MNOVXSKESA-N 0 0 300.384 0.006 10 0 DCAERN COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)C(F)(F)F)C1 ZINC000726715225 661664963 /nfs/dbraw/zinc/66/49/63/661664963.db2.gz NDQHILDSSQSJIJ-SFYZADRCSA-N 0 0 313.276 0.440 10 0 DCAERN Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C2CC2)cn1C ZINC000178470838 660525602 /nfs/dbraw/zinc/52/56/02/660525602.db2.gz SYAIDBVOQHDTSQ-VIFPVBQESA-N 0 0 315.395 0.739 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000095016563 661317580 /nfs/dbraw/zinc/31/75/80/661317580.db2.gz WOQQVXFFESCUIQ-YUMQZZPRSA-N 0 0 321.786 0.503 10 0 DCAERN CC(=O)N(C)C1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000128761816 661007620 /nfs/dbraw/zinc/00/76/20/661007620.db2.gz UBCBRSPFHYSJNG-GJZGRUSLSA-N 0 0 319.405 0.838 10 0 DCAERN NC(=O)C1(O)CCN(c2cnc(Br)cn2)CC1 ZINC000310177044 661051157 /nfs/dbraw/zinc/05/11/57/661051157.db2.gz MNXRUHCACLOQBL-UHFFFAOYSA-N 0 0 301.144 0.056 10 0 DCAERN Cc1n[nH]cc1S(=O)(=O)NCc1nc(CN(C)C)cs1 ZINC000722396730 661113141 /nfs/dbraw/zinc/11/31/41/661113141.db2.gz SWUAZVJFDOFGBN-UHFFFAOYSA-N 0 0 315.424 0.715 10 0 DCAERN COC(=O)C(C)(C)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000311588853 661158004 /nfs/dbraw/zinc/15/80/04/661158004.db2.gz XICXULPTBDJFOT-UHFFFAOYSA-N 0 0 309.775 0.551 10 0 DCAERN CCc1nc(C)c(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)o1 ZINC000888093676 661158834 /nfs/dbraw/zinc/15/88/34/661158834.db2.gz NJZLDNVUDUZVEV-NWDGAFQWSA-N 0 0 320.349 0.855 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@@H]2CSCCS2)cn1 ZINC000229644890 661276810 /nfs/dbraw/zinc/27/68/10/661276810.db2.gz HNXJOCGCJHTKOX-SSDOTTSWSA-N 0 0 306.438 0.186 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2cccnc2)cc1 ZINC000160227492 657565777 /nfs/dbraw/zinc/56/57/77/657565777.db2.gz DXIUDCHGOVXGSZ-HNNXBMFYSA-N 0 0 313.357 0.970 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)c2ccc(F)c(F)c2)CCC1 ZINC000721535669 657599450 /nfs/dbraw/zinc/59/94/50/657599450.db2.gz KJLQRAYEWZRRRP-UHFFFAOYSA-N 0 0 304.318 0.906 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)C[C@H]1C(N)=O ZINC000722628277 657770919 /nfs/dbraw/zinc/77/09/19/657770919.db2.gz RJTKKGVTSSMZMQ-MXWKQRLJSA-N 0 0 311.382 0.576 10 0 DCAERN COC(=O)c1ncn(CN2CCC[C@H]2Cn2ccnc2C)n1 ZINC000176074253 657797943 /nfs/dbraw/zinc/79/79/43/657797943.db2.gz BTZARIRWTBALIV-LBPRGKRZSA-N 0 0 304.354 0.692 10 0 DCAERN CCOc1cccnc1C(=O)NCCC1N=NC(=S)N1C ZINC000176307695 658028140 /nfs/dbraw/zinc/02/81/40/658028140.db2.gz FKDMNDGXAHPMHU-UHFFFAOYSA-N 0 0 307.379 0.870 10 0 DCAERN CC1(C)CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000162138100 658043510 /nfs/dbraw/zinc/04/35/10/658043510.db2.gz MVQPSQGYGANQDW-UHFFFAOYSA-N 0 0 304.412 0.945 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[C@H]1C ZINC000249147184 658072903 /nfs/dbraw/zinc/07/29/03/658072903.db2.gz GOIFLOMPCNRVJW-NTZNESFSSA-N 0 0 306.366 0.646 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N[C@@H](CCO)C1CCCC1 ZINC000725041940 658079634 /nfs/dbraw/zinc/07/96/34/658079634.db2.gz JZGRBBOKYUXMDH-LBPRGKRZSA-N 0 0 307.412 0.800 10 0 DCAERN COC1(C(=O)NCC2(S(N)(=O)=O)CCC2)CCCCC1 ZINC000721503089 658123359 /nfs/dbraw/zinc/12/33/59/658123359.db2.gz ULHWCUBFHRCWMN-UHFFFAOYSA-N 0 0 304.412 0.663 10 0 DCAERN CC1(C)CO[C@@H](CC(=O)NCC2(S(N)(=O)=O)CCC2)C1 ZINC000721575321 658126422 /nfs/dbraw/zinc/12/64/22/658126422.db2.gz FNPMHUYJJFSAOW-JTQLQIEISA-N 0 0 304.412 0.519 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724438462 658275942 /nfs/dbraw/zinc/27/59/42/658275942.db2.gz OURBHKSNUOOPHN-ZJUUUORDSA-N 0 0 302.396 0.874 10 0 DCAERN CN1C[C@H](CCNS(=O)(=O)c2ccccc2F)CC1=O ZINC000723354912 658643342 /nfs/dbraw/zinc/64/33/42/658643342.db2.gz YRRUCGOGQVZMEP-SNVBAGLBSA-N 0 0 300.355 0.972 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC000723363124 658647441 /nfs/dbraw/zinc/64/74/41/658647441.db2.gz NPQBYLVPGCTZRR-SNVBAGLBSA-N 0 0 300.384 0.173 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)N2CCc3ccncc32)C1=O ZINC000888076009 658707599 /nfs/dbraw/zinc/70/75/99/658707599.db2.gz NAMZKJRWBLITIZ-AWEZNQCLSA-N 0 0 303.362 0.998 10 0 DCAERN COc1nn(C)cc1NC(=O)CN1CCCC[C@H](OC)C1=O ZINC000888076267 658709879 /nfs/dbraw/zinc/70/98/79/658709879.db2.gz RELGMSNPTUFXED-NSHDSACASA-N 0 0 310.354 0.395 10 0 DCAERN NC(=O)[C@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCO1 ZINC000255865571 658725957 /nfs/dbraw/zinc/72/59/57/658725957.db2.gz FFWBOOFNWRIDJA-IYKSTZQJSA-N 0 0 311.341 0.961 10 0 DCAERN CCN(CCS(C)(=O)=O)Cc1nnc(C2CCC2)n1C ZINC000181516536 665606825 /nfs/dbraw/zinc/60/68/25/665606825.db2.gz SSQOPRMWHIIPGM-UHFFFAOYSA-N 0 0 300.428 0.949 10 0 DCAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)[C@H]1CCCO1 ZINC000066316114 658802384 /nfs/dbraw/zinc/80/23/84/658802384.db2.gz JFAVBDZEZWVSHX-SDDRHHMPSA-N 0 0 300.355 0.287 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](N[C@H]1COCC1(C)C)C(F)(F)F ZINC000313037296 658947002 /nfs/dbraw/zinc/94/70/02/658947002.db2.gz YIRQUQBESBZRQF-IUCAKERBSA-N 0 0 318.361 0.823 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cnn(-c3ccccc3)n2)c1 ZINC000186629520 659283253 /nfs/dbraw/zinc/28/32/53/659283253.db2.gz GMRRCOGKJFRWPE-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(OC)s2)C[C@@H]1C ZINC000312572583 659364269 /nfs/dbraw/zinc/36/42/69/659364269.db2.gz OQHWUOKFJGIUAD-YUMQZZPRSA-N 0 0 320.392 0.581 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H]1CSCCS1 ZINC000181947103 665700617 /nfs/dbraw/zinc/70/06/17/665700617.db2.gz JCNUQYOVCCGGOW-JTQLQIEISA-N 0 0 301.441 0.816 10 0 DCAERN O=C(NC[C@H]1COCCO1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000332793213 659757731 /nfs/dbraw/zinc/75/77/31/659757731.db2.gz BJBKFMCHQVCRCD-HIFRSBDPSA-N 0 0 305.378 0.980 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000332875771 659766659 /nfs/dbraw/zinc/76/66/59/659766659.db2.gz KDAQJLHPHVTVKR-NQBHXWOUSA-N 0 0 324.425 0.600 10 0 DCAERN COC(=O)C1CCC(C(=O)OCC(=O)N=S(C)(C)=O)CC1 ZINC000893142040 659780341 /nfs/dbraw/zinc/78/03/41/659780341.db2.gz DZEVYCXXZSSOLM-UHFFFAOYSA-N 0 0 319.379 0.763 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2OCCO2)CC1 ZINC000182225884 665758809 /nfs/dbraw/zinc/75/88/09/665758809.db2.gz UCMPHNVNFHEDLS-ZDUSSCGKSA-N 0 0 311.426 0.424 10 0 DCAERN CC(C)[C@H](C)NC(=O)C1CCN(CN2CC(=O)N(C)C2=O)CC1 ZINC000182276603 665764056 /nfs/dbraw/zinc/76/40/56/665764056.db2.gz JEZBLWLRYJLPON-LBPRGKRZSA-N 0 0 324.425 0.711 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCO[C@H](C)C1 ZINC000248887314 661535079 /nfs/dbraw/zinc/53/50/79/661535079.db2.gz YBOLKUZQDRRSMB-BHPKHCPMSA-N 0 0 310.394 0.507 10 0 DCAERN NCc1nc(CN2CCN(C(=O)c3ccccc3)CC2)no1 ZINC000261852702 661752285 /nfs/dbraw/zinc/75/22/85/661752285.db2.gz VNLIHMZEGPQBLP-UHFFFAOYSA-N 0 0 301.350 0.486 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000338932450 661807041 /nfs/dbraw/zinc/80/70/41/661807041.db2.gz AMKHSMAGBVFZBA-STQMWFEESA-N 0 0 321.402 0.121 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000338949607 661809506 /nfs/dbraw/zinc/80/95/06/661809506.db2.gz CZWTVLBPZUYUAD-MRVPVSSYSA-N 0 0 314.392 0.031 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](c1nncn1C)C(C)C ZINC000340738144 662109978 /nfs/dbraw/zinc/10/99/78/662109978.db2.gz GZMVQNGBGATBIQ-GHMZBOCLSA-N 0 0 311.411 0.550 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCN1CCOCC1(C)C ZINC000728282712 662374267 /nfs/dbraw/zinc/37/42/67/662374267.db2.gz SKRIKYKVECUMEW-LBPRGKRZSA-N 0 0 315.439 0.135 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)cn1 ZINC000179076814 662449023 /nfs/dbraw/zinc/44/90/23/662449023.db2.gz POEHHIGIYWJMKN-NSHDSACASA-N 0 0 309.370 0.118 10 0 DCAERN O=C(NCCS(=O)(=O)c1ccccc1)[C@@H]1CC(F)(F)CN1 ZINC000262905178 662596504 /nfs/dbraw/zinc/59/65/04/662596504.db2.gz FBMMSJLFSBZPGU-NSHDSACASA-N 0 0 318.345 0.574 10 0 DCAERN CC1(CNC(=O)CCc2nc(-c3ccncc3)no2)OCCO1 ZINC000179205457 662827330 /nfs/dbraw/zinc/82/73/30/662827330.db2.gz KOTLIYMLRKKIJM-UHFFFAOYSA-N 0 0 318.333 0.943 10 0 DCAERN CC(C)[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)N(C)C ZINC000729699918 662907473 /nfs/dbraw/zinc/90/74/73/662907473.db2.gz PUZDEXSYONUSAQ-CMPLNLGQSA-N 0 0 303.380 0.591 10 0 DCAERN Cc1nc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)CC2)n[nH]1 ZINC000898181928 662943054 /nfs/dbraw/zinc/94/30/54/662943054.db2.gz CGSOOXJRVBJZKR-CHWSQXEVSA-N 0 0 307.398 0.823 10 0 DCAERN CNC(=O)C1(C(=O)OCC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000730044385 662958681 /nfs/dbraw/zinc/95/86/81/662958681.db2.gz ZHIDPSZLIPMFNI-UHFFFAOYSA-N 0 0 305.286 0.667 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000075526318 663084405 /nfs/dbraw/zinc/08/44/05/663084405.db2.gz JVCVKEPLQBITEE-ONGXEEELSA-N 0 0 307.375 0.592 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N(CCO)Cc1cccnc1 ZINC000434913550 663118123 /nfs/dbraw/zinc/11/81/23/663118123.db2.gz NHTWRZIPDJRZDM-CYBMUJFWSA-N 0 0 309.391 0.324 10 0 DCAERN C[C@]1(C(=O)NCCCn2ccnn2)Cc2ccccc2C(=O)O1 ZINC000182946947 665938432 /nfs/dbraw/zinc/93/84/32/665938432.db2.gz HLVXHSXUAWLKNY-MRXNPFEDSA-N 0 0 314.345 0.956 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCCC[C@@H]2CNC(N)=O)[nH]1 ZINC000435682746 663297117 /nfs/dbraw/zinc/29/71/17/663297117.db2.gz FSCVLYKCPSHTSP-SNVBAGLBSA-N 0 0 316.365 0.929 10 0 DCAERN CC(C)(O)[C@H](O)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000901247876 663333148 /nfs/dbraw/zinc/33/31/48/663333148.db2.gz YFJIOXMNBRXTEA-OASPWFOLSA-N 0 0 315.316 0.731 10 0 DCAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CCNC(=O)CO ZINC000908108242 663733953 /nfs/dbraw/zinc/73/39/53/663733953.db2.gz NMHUFQSIFUIPRE-IOASZLSFSA-N 0 0 312.410 0.417 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)c1cnc2n1CCCCC2 ZINC000909189374 663785944 /nfs/dbraw/zinc/78/59/44/663785944.db2.gz IPCZTLCAOJMUBG-OSAQELSMSA-N 0 0 315.377 0.910 10 0 DCAERN Cn1c2[nH]c(CCC(=O)OCc3ccoc3)nc2c(=O)[nH]c1=O ZINC000175128232 664001177 /nfs/dbraw/zinc/00/11/77/664001177.db2.gz DQVWCXBBTYYRDO-UHFFFAOYSA-N 0 0 318.289 0.219 10 0 DCAERN Cn1cc(C(=O)N2CC(N3CCOCC3)C2)c([C@@H]2CCOC2)n1 ZINC000911638580 664090700 /nfs/dbraw/zinc/09/07/00/664090700.db2.gz 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/nfs/dbraw/zinc/37/09/29/664370929.db2.gz BBBLOVIHIFKNFN-UHFFFAOYSA-N 0 0 315.289 0.770 10 0 DCAERN CC(=O)N[C@@H]1CCCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C1 ZINC000249705966 664392776 /nfs/dbraw/zinc/39/27/76/664392776.db2.gz NWMXSIUXPDXMMA-IUODEOHRSA-N 0 0 310.398 0.511 10 0 DCAERN C[C@@]1(CNC(=O)C[C@@H]2CS(=O)(=O)CCN2)CCCS1 ZINC000156922801 664395222 /nfs/dbraw/zinc/39/52/22/664395222.db2.gz MSRMCZRMBNZUIJ-PWSUYJOCSA-N 0 0 306.453 0.165 10 0 DCAERN Cn1ncc2c1nnn(CN1CC[C@@]3(O)CCCC[C@@H]3C1)c2=O ZINC000164949751 664396712 /nfs/dbraw/zinc/39/67/12/664396712.db2.gz SUYXYLHZAVPBRY-ABAIWWIYSA-N 0 0 318.381 0.110 10 0 DCAERN COCCCn1cccc(C(=O)NCC2(CO)CCC2)c1=O ZINC000223255775 664405220 /nfs/dbraw/zinc/40/52/20/664405220.db2.gz FJWZIYMTXFNBIM-UHFFFAOYSA-N 0 0 308.378 0.777 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000157093391 664412744 /nfs/dbraw/zinc/41/27/44/664412744.db2.gz QBVPMESEUXFYOU-XVKPBYJWSA-N 0 0 302.327 0.380 10 0 DCAERN O=C(NCC1(CN2CCOCC2)CCOCC1)c1cccnc1 ZINC000223624221 664418179 /nfs/dbraw/zinc/41/81/79/664418179.db2.gz IYDUZXPCMXGSAD-UHFFFAOYSA-N 0 0 319.405 0.940 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2cc(N)ccc2C)C1 ZINC000165779095 664427752 /nfs/dbraw/zinc/42/77/52/664427752.db2.gz SAZHCVIJYZKCRI-CYBMUJFWSA-N 0 0 313.423 0.576 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCCCC1CCCC1 ZINC000225340532 664473037 /nfs/dbraw/zinc/47/30/37/664473037.db2.gz JMEKZLYKIOPGTG-CYBMUJFWSA-N 0 0 302.440 0.850 10 0 DCAERN O=S1(=O)CCNC[C@@H]1CCNc1nnc(C(F)F)s1 ZINC000721725246 664497406 /nfs/dbraw/zinc/49/74/06/664497406.db2.gz NLEPWXHNMMMKQB-LURJTMIESA-N 0 0 312.367 0.664 10 0 DCAERN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000172974038 664626161 /nfs/dbraw/zinc/62/61/61/664626161.db2.gz HCWSWNUWFMVDRL-QMMMGPOBSA-N 0 0 323.358 0.635 10 0 DCAERN CCC[C@@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000173350244 664628498 /nfs/dbraw/zinc/62/84/98/664628498.db2.gz FWIMWJHYCFBDEE-NEPJUHHUSA-N 0 0 303.428 0.216 10 0 DCAERN 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RKIWNNNQPMLMIX-GFCCVEGCSA-N 0 0 309.366 0.827 10 0 DCAERN CCOc1cccnc1C(=O)N(CC)CCS(C)(=O)=O ZINC000152320613 664745420 /nfs/dbraw/zinc/74/54/20/664745420.db2.gz MQDBDKCQLPYGOU-UHFFFAOYSA-N 0 0 300.380 0.987 10 0 DCAERN O=C(Cn1ncc2ccccc21)OCCN1C(=O)CNC1=O ZINC000730635239 664798769 /nfs/dbraw/zinc/79/87/69/664798769.db2.gz JTPNVSKDHBDQMQ-UHFFFAOYSA-N 0 0 302.290 0.131 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCC1N=NC(=S)N1C1CC1 ZINC000731446370 664863383 /nfs/dbraw/zinc/86/33/83/664863383.db2.gz HYEUVPONYDCYQI-JTQLQIEISA-N 0 0 309.395 0.529 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CNC(=O)N2)c1 ZINC000732361294 664919914 /nfs/dbraw/zinc/91/99/14/664919914.db2.gz KLMKPYZFLHGUMT-BXKDBHETSA-N 0 0 319.317 0.441 10 0 DCAERN CCC1(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)CCCC1 ZINC000232988902 665310315 /nfs/dbraw/zinc/31/03/15/665310315.db2.gz ANAXJPNVQRYDAZ-LBPRGKRZSA-N 0 0 302.440 0.850 10 0 DCAERN COC[C@H](C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 ZINC000175182419 665315428 /nfs/dbraw/zinc/31/54/28/665315428.db2.gz QHIVXIPFSAVEAT-ZDUSSCGKSA-N 0 0 312.410 0.756 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nn(C)cc1Cl ZINC000452746030 666255024 /nfs/dbraw/zinc/25/50/24/666255024.db2.gz ZPSRYOCUOMMUPO-JTQLQIEISA-N 0 0 302.787 0.611 10 0 DCAERN Cn1nccc1CCNC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000186806527 666598025 /nfs/dbraw/zinc/59/80/25/666598025.db2.gz CTFJAISFFMTHAD-CQSZACIVSA-N 0 0 315.377 0.358 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccccc1S(C)(=O)=O ZINC000733877869 666823458 /nfs/dbraw/zinc/82/34/58/666823458.db2.gz BPMNPESJAVHCNA-SFHVURJKSA-N 0 0 303.405 0.589 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCNC(=O)c1ccsc1 ZINC000733880401 666823715 /nfs/dbraw/zinc/82/37/15/666823715.db2.gz UIMKKLMMZANJLE-LJQANCHMSA-N 0 0 302.421 0.753 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000733893500 666826856 /nfs/dbraw/zinc/82/68/56/666826856.db2.gz ZMVVRQYZKHZSDW-NRFANRHFSA-N 0 0 307.379 0.225 10 0 DCAERN CCCC1N=NC(=S)N1CC(=O)NCC[S@](=O)CC ZINC000733965847 666832981 /nfs/dbraw/zinc/83/29/81/666832981.db2.gz KAIIYZZSVQRNHX-LJQANCHMSA-N 0 0 304.441 0.404 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000733964689 666833192 /nfs/dbraw/zinc/83/31/92/666833192.db2.gz SZLKXWFJWCPIPE-PRWKNARSSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000733965724 666833256 /nfs/dbraw/zinc/83/32/56/666833256.db2.gz IJSBFDJVDTWPLG-BIBXISHDSA-N 0 0 300.424 0.662 10 0 DCAERN CC[S@@](=O)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000734513455 666884229 /nfs/dbraw/zinc/88/42/29/666884229.db2.gz YWKUHDZXOFSNMV-LJQANCHMSA-N 0 0 319.408 0.224 10 0 DCAERN CC[S@](=O)CCNc1cc(C)nc2nc(C(=O)OC)nn21 ZINC000735075512 666942519 /nfs/dbraw/zinc/94/25/19/666942519.db2.gz LFICNQMJEFSNCX-NRFANRHFSA-N 0 0 311.367 0.400 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000735108150 666947320 /nfs/dbraw/zinc/94/73/20/666947320.db2.gz NINQNLFKHVCZHO-LRTDBIEQSA-N 0 0 314.407 0.796 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000735085864 666949434 /nfs/dbraw/zinc/94/94/34/666949434.db2.gz BDDJNINPWIWWCE-FQEVSTJZSA-N 0 0 305.444 0.165 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCC(OCCOC)CC1 ZINC000735113448 666954656 /nfs/dbraw/zinc/95/46/56/666954656.db2.gz XXPRRNGMOMKIDR-HXUWFJFHSA-N 0 0 306.428 0.592 10 0 DCAERN CCOc1cccc(NC(=O)C(=O)NCC[S@](=O)CC)c1 ZINC000735195601 666965468 /nfs/dbraw/zinc/96/54/68/666965468.db2.gz BFGGFQPRYMJJRI-OAQYLSRUSA-N 0 0 312.391 0.909 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1OC ZINC000735199054 666966149 /nfs/dbraw/zinc/96/61/49/666966149.db2.gz HMLVTVFRHHBNOS-NRFANRHFSA-N 0 0 316.354 0.658 10 0 DCAERN Cn1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 ZINC000702816092 666999109 /nfs/dbraw/zinc/99/91/09/666999109.db2.gz BONQYTJBPMGJTE-JQWIXIFHSA-N 0 0 324.381 0.378 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccnnc2)C1 ZINC000702821258 667000463 /nfs/dbraw/zinc/00/04/63/667000463.db2.gz YBLBMIQPUDJWQM-RYUDHWBXSA-N 0 0 322.365 0.434 10 0 DCAERN COCCNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000119863370 667216159 /nfs/dbraw/zinc/21/61/59/667216159.db2.gz DCCXLVCKFBUVOH-UHFFFAOYSA-N 0 0 320.798 0.967 10 0 DCAERN C[C@@H]1CN(Cn2nc(-c3ccccc3)oc2=O)C[C@H](C(N)=O)O1 ZINC000120284004 667294266 /nfs/dbraw/zinc/29/42/66/667294266.db2.gz VVYQZJNUALNGGM-ZYHUDNBSSA-N 0 0 318.333 0.035 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1cc(Br)cnc1F ZINC000706733859 667422633 /nfs/dbraw/zinc/42/26/33/667422633.db2.gz LTXZQRMAIUPWMY-DTWKUNHWSA-N 0 0 319.130 0.863 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CCNC(=O)CC1(C)C ZINC000708150609 667442071 /nfs/dbraw/zinc/44/20/71/667442071.db2.gz WGPQBIYLOAETTD-LLVKDONJSA-N 0 0 303.428 0.706 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708182714 667442245 /nfs/dbraw/zinc/44/22/45/667442245.db2.gz VNWKLRPXMPWPHE-ZDUSSCGKSA-N 0 0 305.396 0.301 10 0 DCAERN C[C@@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)NC(C)(C)C ZINC000708242488 667442495 /nfs/dbraw/zinc/44/24/95/667442495.db2.gz XEXHTWHJCCVQMN-SECBINFHSA-N 0 0 304.412 0.721 10 0 DCAERN 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10 0 DCAERN Cn1cnnc1C[C@]1(O)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000886065728 667728034 /nfs/dbraw/zinc/72/80/34/667728034.db2.gz RTTAQOMPCRQQCO-OAHLLOKOSA-N 0 0 313.365 0.660 10 0 DCAERN CC(C)n1ccc(CN2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)n1 ZINC000886071991 667728341 /nfs/dbraw/zinc/72/83/41/667728341.db2.gz VHDBIWNCDHUYFC-INIZCTEOSA-N 0 0 322.409 0.825 10 0 DCAERN Cc1nnc([C@H]2CCCN(CC(=O)N3CCNC3=O)[C@H]2C)o1 ZINC000886077949 667728982 /nfs/dbraw/zinc/72/89/82/667728982.db2.gz KNRIIXLCLMQDKO-ONGXEEELSA-N 0 0 307.354 0.498 10 0 DCAERN O=C([O-])[C@@]1([NH+]2CCN(C(=O)CCc3ccco3)CC2)CCOC1 ZINC000886077924 667729013 /nfs/dbraw/zinc/72/90/13/667729013.db2.gz RBQRWRWKSIOLJQ-MRXNPFEDSA-N 0 0 322.361 0.600 10 0 DCAERN CCn1cc(C(=O)N[C@@H]2COC[C@@H]2OC)c(C2CCOCC2)n1 ZINC000886077495 667729188 /nfs/dbraw/zinc/72/91/88/667729188.db2.gz AWUGSHQLZGUJCH-KGLIPLIRSA-N 0 0 323.393 0.941 10 0 DCAERN Cn1ccnc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C ZINC000886078438 667729716 /nfs/dbraw/zinc/72/97/16/667729716.db2.gz ZQOCPSRSSYUFRS-JQWIXIFHSA-N 0 0 316.365 0.702 10 0 DCAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC000886081971 667730133 /nfs/dbraw/zinc/73/01/33/667730133.db2.gz NYAKASSNSRNQIE-PWSUYJOCSA-N 0 0 304.354 0.663 10 0 DCAERN Cc1cc(C)c(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)o1 ZINC000886096957 667732479 /nfs/dbraw/zinc/73/24/79/667732479.db2.gz SVNSQTIWPXBEHP-MRXNPFEDSA-N 0 0 321.377 0.299 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000741076442 667758123 /nfs/dbraw/zinc/75/81/23/667758123.db2.gz GKWKZVRDBNRAJJ-FQEVSTJZSA-N 0 0 301.343 0.815 10 0 DCAERN COc1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)cc1 ZINC000741141924 667759816 /nfs/dbraw/zinc/75/98/16/667759816.db2.gz NABHFCUYDHUASS-NRFANRHFSA-N 0 0 310.419 0.832 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCCOC[C@H]1CCCO1 ZINC000741322841 667767713 /nfs/dbraw/zinc/76/77/13/667767713.db2.gz WQQNBXJGOFYCJS-VXGBXAGGSA-N 0 0 303.380 0.647 10 0 DCAERN CCOC(=O)N1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000220521035 667795914 /nfs/dbraw/zinc/79/59/14/667795914.db2.gz RHQZUFAVFHABJG-LLVKDONJSA-N 0 0 306.366 0.815 10 0 DCAERN CC[S@](=O)CCNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000742657710 667796266 /nfs/dbraw/zinc/79/62/66/667796266.db2.gz GBTJYFOADAONIN-QFIPXVFZSA-N 0 0 321.402 0.783 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)C2=COCCC2)C(=O)N1c1cnn(C)c1 ZINC000742914746 667800885 /nfs/dbraw/zinc/80/08/85/667800885.db2.gz ZJACFPOCLQRHAB-GXFFZTMASA-N 0 0 304.350 0.724 10 0 DCAERN Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)no1 ZINC000123521685 667800930 /nfs/dbraw/zinc/80/09/30/667800930.db2.gz YAWCVHOKRUWJHQ-LBPRGKRZSA-N 0 0 302.334 0.807 10 0 DCAERN CCN1C[C@@H](COC(=O)Cn2c(C)c(C)sc2=O)CC1=O ZINC000124232734 667934904 /nfs/dbraw/zinc/93/49/04/667934904.db2.gz ZFQHCXFIUISXRE-NSHDSACASA-N 0 0 312.391 0.938 10 0 DCAERN COC(=O)CCN1CCN(S(=O)(=O)c2ccns2)CC1 ZINC000717773116 667950135 /nfs/dbraw/zinc/95/01/35/667950135.db2.gz XDLNOBSFLVQKTJ-UHFFFAOYSA-N 0 0 319.408 0.013 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCCc1ccccc1F ZINC000126441828 668595380 /nfs/dbraw/zinc/59/53/80/668595380.db2.gz DCDMQOGVQSIPHP-LBPRGKRZSA-N 0 0 314.382 0.261 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cc(F)cc(F)c1 ZINC000126460275 668599299 /nfs/dbraw/zinc/59/92/99/668599299.db2.gz HCMKBHCWWWJTCA-NSHDSACASA-N 0 0 304.318 0.680 10 0 DCAERN Cc1ccc(F)c(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126476384 668600652 /nfs/dbraw/zinc/60/06/52/668600652.db2.gz XZGOZOFIIRZIHP-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N[C@@H]1CCc2ccccc21 ZINC000126508724 668616501 /nfs/dbraw/zinc/61/65/01/668616501.db2.gz DJAITZUGYGFBQR-GXTWGEPZSA-N 0 0 308.403 0.567 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NC[C@@H]1Cc2ccccc21 ZINC000126549769 668622572 /nfs/dbraw/zinc/62/25/72/668622572.db2.gz VVHINVUODGHSNP-STQMWFEESA-N 0 0 308.403 0.219 10 0 DCAERN COc1cccc(CNC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126552271 668622852 /nfs/dbraw/zinc/62/28/52/668622852.db2.gz REJMBLCDQWNVRM-LBPRGKRZSA-N 0 0 312.391 0.088 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]1C1CCCC1 ZINC000126713809 668646534 /nfs/dbraw/zinc/64/65/34/668646534.db2.gz NWUBHVLPDFKWAJ-UONOGXRCSA-N 0 0 314.451 0.944 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]2CCC[C@H]21 ZINC000126813289 668664466 /nfs/dbraw/zinc/66/44/66/668664466.db2.gz ZETYXHNSGUBKJE-YNEHKIRRSA-N 0 0 300.424 0.554 10 0 DCAERN NC(=O)CCCOC(=O)CCc1nc(-c2ccncc2)no1 ZINC000130773893 669641952 /nfs/dbraw/zinc/64/19/52/669641952.db2.gz PAIBURZGUNXOSG-UHFFFAOYSA-N 0 0 304.306 0.873 10 0 DCAERN CN(Cc1ccc(F)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000132163894 669707643 /nfs/dbraw/zinc/70/76/43/669707643.db2.gz QFXWNBGWUGXOKD-UHFFFAOYSA-N 0 0 302.313 0.754 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(Cn2ncn(C)c2=O)CC1 ZINC000132219571 669709111 /nfs/dbraw/zinc/70/91/11/669709111.db2.gz JDAPHOQFKLKXEO-GFCCVEGCSA-N 0 0 309.414 0.412 10 0 DCAERN CN1N=C(C(=O)Nc2cnc(Br)cn2)CCC1=O ZINC000132887264 669755591 /nfs/dbraw/zinc/75/55/91/669755591.db2.gz KTNRRUAQASMGGH-UHFFFAOYSA-N 0 0 312.127 0.786 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000041990834 669825399 /nfs/dbraw/zinc/82/53/99/669825399.db2.gz FKLFIYXWAXUEQM-CQSZACIVSA-N 0 0 303.362 0.430 10 0 DCAERN C=CCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000042926003 669830202 /nfs/dbraw/zinc/83/02/02/669830202.db2.gz QWCGCIURPNZEGX-UHFFFAOYSA-N 0 0 301.306 0.064 10 0 DCAERN CO[C@H](C)COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000155764108 669836109 /nfs/dbraw/zinc/83/61/09/669836109.db2.gz IJMBXSRWRBAPQN-SCDSUCTJSA-N 0 0 309.366 0.908 10 0 DCAERN CCCC(=O)NCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159285800 669935793 /nfs/dbraw/zinc/93/57/93/669935793.db2.gz QBCLPFUNVWOLQW-QWHCGFSZSA-N 0 0 324.377 0.847 10 0 DCAERN CCN1CCN(CC(=O)O[C@H](C)Cc2ccccc2)C(=O)C1=O ZINC000160133209 669947123 /nfs/dbraw/zinc/94/71/23/669947123.db2.gz JQNPZPOGNXDPPD-CYBMUJFWSA-N 0 0 318.373 0.852 10 0 DCAERN CC(C)(NCc1ccco1)c1nc2c(c(C(N)=O)n1)OCO2 ZINC000075558452 670027323 /nfs/dbraw/zinc/02/73/23/670027323.db2.gz ZGWUNODKRHGZFS-UHFFFAOYSA-N 0 0 304.306 0.922 10 0 DCAERN C[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1nnnn1C1CC1 ZINC000191674935 670088838 /nfs/dbraw/zinc/08/88/38/670088838.db2.gz HFPRXQXFFIAESI-MRVPVSSYSA-N 0 0 312.337 0.781 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)c1nnnn1C1CC1 ZINC000189172173 670094679 /nfs/dbraw/zinc/09/46/79/670094679.db2.gz OUMLCXWZYJSSSY-LPEHRKFASA-N 0 0 321.385 0.412 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1Cc1cn(C)nc1Br ZINC000713873144 670170860 /nfs/dbraw/zinc/17/08/60/670170860.db2.gz SRUDIFQWBPPQKH-MRVPVSSYSA-N 0 0 322.228 0.802 10 0 DCAERN Cn1cc(CN2CCN3C(=O)NC[C@H]3C2)c(Br)n1 ZINC000713878731 670168351 /nfs/dbraw/zinc/16/83/51/670168351.db2.gz AAHZKHXCOQBLKZ-VIFPVBQESA-N 0 0 314.187 0.392 10 0 DCAERN COC(=O)[C@H]1CN(Cc2cn(C)nc2Br)CCO1 ZINC000713823485 670170457 /nfs/dbraw/zinc/17/04/57/670170457.db2.gz YMNVYLPVITXZIW-SECBINFHSA-N 0 0 318.171 0.556 10 0 DCAERN CN(Cc1cn(C)nc1Br)[C@H]1CCN(C)C1=O ZINC000713872557 670171247 /nfs/dbraw/zinc/17/12/47/670171247.db2.gz PLPYXOJCTMDYQE-VIFPVBQESA-N 0 0 301.188 0.845 10 0 DCAERN COc1ccc(Cl)cc1C(=O)NCC1(S(N)(=O)=O)CC1 ZINC000713985310 670173377 /nfs/dbraw/zinc/17/33/77/670173377.db2.gz DKDFXAJATYWYMC-UHFFFAOYSA-N 0 0 318.782 0.900 10 0 DCAERN CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccnc2F)C1 ZINC000714244613 670182130 /nfs/dbraw/zinc/18/21/30/670182130.db2.gz FTXRRHLSSAREFY-ZKCHVHJHSA-N 0 0 308.356 0.075 10 0 DCAERN Cc1cc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)sc1C ZINC000714299795 670183511 /nfs/dbraw/zinc/18/35/11/670183511.db2.gz STWUJVGNGUSCRJ-UHFFFAOYSA-N 0 0 303.409 0.245 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000714438673 670187625 /nfs/dbraw/zinc/18/76/25/670187625.db2.gz IQDYNZKRDRBUMB-UHFFFAOYSA-N 0 0 305.664 0.978 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000714465810 670189478 /nfs/dbraw/zinc/18/94/78/670189478.db2.gz YQAUUBBUVDOTIU-UHFFFAOYSA-N 0 0 305.739 0.248 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCC12OCCO2 ZINC000715998078 670229731 /nfs/dbraw/zinc/22/97/31/670229731.db2.gz QUTDOMICDWXUKQ-PWSUYJOCSA-N 0 0 308.334 0.810 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(Cl)nc2C)C1 ZINC000193253703 670256389 /nfs/dbraw/zinc/25/63/89/670256389.db2.gz MYFVWDGHTGGTCM-UHFFFAOYSA-N 0 0 324.768 0.576 10 0 DCAERN CC[C@H](C[C@H](C)O)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000716831492 670273151 /nfs/dbraw/zinc/27/31/51/670273151.db2.gz UVRZIEZIEHDNBP-HBNTYKKESA-N 0 0 309.453 0.572 10 0 DCAERN Cn1nccc1CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000193790819 670349113 /nfs/dbraw/zinc/34/91/13/670349113.db2.gz IGBFRZUDTNDWHJ-UHFFFAOYSA-N 0 0 307.331 0.569 10 0 DCAERN CC(=O)N[C@H]1CCCN(Cn2nnc3ccccc3c2=O)C1 ZINC000077444232 670410999 /nfs/dbraw/zinc/41/09/99/670410999.db2.gz LXRWHWLVNZPBLT-LBPRGKRZSA-N 0 0 301.350 0.350 10 0 DCAERN Cc1cc(C)c(N2CC[C@H](NC(=O)CNC(N)=O)C2=O)c(C)c1 ZINC000190548143 670457846 /nfs/dbraw/zinc/45/78/46/670457846.db2.gz VVXBVODNQSODQO-LBPRGKRZSA-N 0 0 318.377 0.502 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cnn(-c2ccccc2)n1 ZINC000112655658 670636111 /nfs/dbraw/zinc/63/61/11/670636111.db2.gz NVJJSLUVIOUGDQ-LLVKDONJSA-N 0 0 309.333 0.604 10 0 DCAERN CS(=O)(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818121315 670975130 /nfs/dbraw/zinc/97/51/30/670975130.db2.gz WGPNHTLDYHUNOT-LBPRGKRZSA-N 0 0 301.368 0.276 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCC(C)(C)O)cn1 ZINC000818606412 671035946 /nfs/dbraw/zinc/03/59/46/671035946.db2.gz DMXXNLPHLAVDNZ-QWHCGFSZSA-N 0 0 311.382 0.717 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C(C)C)C1 ZINC000101580548 671773785 /nfs/dbraw/zinc/77/37/85/671773785.db2.gz RSBTVJYBBGIHBO-GFCCVEGCSA-N 0 0 305.444 0.952 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000121472711 671837541 /nfs/dbraw/zinc/83/75/41/671837541.db2.gz BHIFGHVERKSJMX-NSHDSACASA-N 0 0 324.768 0.801 10 0 DCAERN COC(=O)c1sc(NC[C@@H](C)S(N)(=O)=O)nc1Cl ZINC000398253497 685273356 /nfs/dbraw/zinc/27/33/56/685273356.db2.gz PMQAFIQBGFONPZ-SCSAIBSYSA-N 0 0 313.788 0.094 10 0 DCAERN C[C@@H](CNC(=O)c1cccc(Br)n1)S(N)(=O)=O ZINC000398266682 685274788 /nfs/dbraw/zinc/27/47/88/685274788.db2.gz FBWJGCGQWSMIQF-LURJTMIESA-N 0 0 322.184 0.251 10 0 DCAERN C[C@@H](C(=O)NCc1ncc(Cl)s1)N1CCNCC1=O ZINC000719443276 685311180 /nfs/dbraw/zinc/31/11/80/685311180.db2.gz UBKWGNVOFXKNBW-ZETCQYMHSA-N 0 0 302.787 0.233 10 0 DCAERN COC(C)(C)[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000720078266 685311664 /nfs/dbraw/zinc/31/16/64/685311664.db2.gz JIJMIKJBZIFQHC-SECBINFHSA-N 0 0 300.380 0.877 10 0 DCAERN COC(C)(C)[C@@H](C)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000720088055 685312804 /nfs/dbraw/zinc/31/28/04/685312804.db2.gz MECBVMZRCJOWBA-MRVPVSSYSA-N 0 0 320.436 0.868 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000721844806 685319221 /nfs/dbraw/zinc/31/92/21/685319221.db2.gz DDSKGAYOIYTMGN-ZETCQYMHSA-N 0 0 317.187 0.811 10 0 DCAERN O=S(=O)(N[C@@H]1CNOC1)c1cncc(Br)c1 ZINC000722491521 685320076 /nfs/dbraw/zinc/32/00/76/685320076.db2.gz WTMVPHDOACUKPQ-SSDOTTSWSA-N 0 0 308.157 0.026 10 0 DCAERN Cc1cc(C)n(C2CN(C(=O)CNC(=O)N3CCCC3)C2)n1 ZINC000900671959 685450832 /nfs/dbraw/zinc/45/08/32/685450832.db2.gz PTKOPPSUBAHWSW-UHFFFAOYSA-N 0 0 305.382 0.689 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000135369407 685121486 /nfs/dbraw/zinc/12/14/86/685121486.db2.gz JEEXSBFLFYMMQM-YFRQPTDVSA-N 0 0 317.389 0.830 10 0 DCAERN COCCCOCCN(C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245591578 685158079 /nfs/dbraw/zinc/15/80/79/685158079.db2.gz LLHLXIUEEGUWMN-ZIAGYGMSSA-N 0 0 310.394 0.880 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246151169 685161190 /nfs/dbraw/zinc/16/11/90/685161190.db2.gz GBICACOUDCDOPS-IJLUTSLNSA-N 0 0 312.391 0.014 10 0 DCAERN CC[C@]1(C(C)C)NC(=O)N(CN2CCC[C@@H](NC(C)=O)C2)C1=O ZINC000247243743 685170730 /nfs/dbraw/zinc/17/07/30/685170730.db2.gz ZIHRGJICIFZTDK-CZUORRHYSA-N 0 0 324.425 0.901 10 0 DCAERN CO[C@H]1CC(=O)N(CN2CCO[C@@H](Cn3cc(C)cn3)C2)C1 ZINC000249509996 685181040 /nfs/dbraw/zinc/18/10/40/685181040.db2.gz ZPMUNEUGGXKKHQ-UONOGXRCSA-N 0 0 308.382 0.097 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1N1CCOCC1 ZINC000252671446 685187065 /nfs/dbraw/zinc/18/70/65/685187065.db2.gz VUHWZIQZYYNTRB-BMFZPTHFSA-N 0 0 303.406 0.866 10 0 DCAERN Cn1ccc([C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 ZINC000585389573 1158111800 /nfs/dbraw/zinc/11/18/00/1158111800.db2.gz WVIWPKAPAZOVPS-NSHDSACASA-N 0 0 304.350 0.275 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC000398417193 1158118693 /nfs/dbraw/zinc/11/86/93/1158118693.db2.gz WNGBPFVQQFJZMN-QMMMGPOBSA-N 0 0 303.771 0.458 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2cccnc2Cl)C1 ZINC000398482510 1158120155 /nfs/dbraw/zinc/12/01/55/1158120155.db2.gz XFCDVRIBFHOGHT-QMMMGPOBSA-N 0 0 303.771 0.492 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588512425 1158273094 /nfs/dbraw/zinc/27/30/94/1158273094.db2.gz ZKFIFMBWJCMDBH-UZAOFVRNSA-N 0 0 310.737 0.883 10 0 DCAERN CC(=O)N1CCC(C(=O)NCCNC(=O)c2ccco2)CC1 ZINC000025923302 1171411535 /nfs/dbraw/zinc/41/15/35/1171411535.db2.gz LFAOEBKQIXUIKI-UHFFFAOYSA-N 0 0 307.350 0.384 10 0 DCAERN C#CCN(C[C@H](O)c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539296 1173761666 /nfs/dbraw/zinc/76/16/66/1173761666.db2.gz CNAKOUZBYTUFGT-CABCVRRESA-N 0 0 311.378 0.981 10 0 DCAERN Nc1cc(F)c(F)cc1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000069140289 1173801620 /nfs/dbraw/zinc/80/16/20/1173801620.db2.gz KBVBCDAHRBHGDB-SSDOTTSWSA-N 0 0 304.318 0.854 10 0 DCAERN O=C1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C(=O)N1 ZINC000090017911 1175370855 /nfs/dbraw/zinc/37/08/55/1175370855.db2.gz BAESGJOIPNQPTA-VIFPVBQESA-N 0 0 318.301 0.900 10 0 DCAERN Cn1cnc(CNC(=O)NCc2ccnc(OCC3CC3)c2)n1 ZINC000093793099 1175678119 /nfs/dbraw/zinc/67/81/19/1175678119.db2.gz RXVNLMBUAKCROS-UHFFFAOYSA-N 0 0 316.365 0.998 10 0 DCAERN Cc1noc(C)c1[C@@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000152416609 1180544241 /nfs/dbraw/zinc/54/42/41/1180544241.db2.gz ZEYCSCRNHFVVKT-OIBJUYFYSA-N 0 0 308.338 0.499 10 0 DCAERN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1ccc(=O)[nH]n1 ZINC000238864659 1182436923 /nfs/dbraw/zinc/43/69/23/1182436923.db2.gz LMKYTTVKVLMBPR-XYPYZODXSA-N 0 0 315.333 0.680 10 0 DCAERN Cc1ccc(OCC(=O)NCCNC(=O)[C@@H]2CCCO2)cc1 ZINC000169842448 1183609627 /nfs/dbraw/zinc/60/96/27/1183609627.db2.gz JVXLSNPIWYAQDN-AWEZNQCLSA-N 0 0 306.362 0.785 10 0 DCAERN CCN(C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000171233452 1183716075 /nfs/dbraw/zinc/71/60/75/1183716075.db2.gz VFALNVGIICXGFY-OAHLLOKOSA-N 0 0 304.350 0.903 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000175230981 1184063604 /nfs/dbraw/zinc/06/36/04/1184063604.db2.gz WNZNMIODILPIRW-LBPRGKRZSA-N 0 0 318.370 0.257 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N(C)Cc1c(C)noc1C ZINC000175952313 1184120552 /nfs/dbraw/zinc/12/05/52/1184120552.db2.gz YAHQXNUISKUSJK-UHFFFAOYSA-N 0 0 303.384 0.531 10 0 DCAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000176368226 1184166144 /nfs/dbraw/zinc/16/61/44/1184166144.db2.gz CLUDVZXLHZYXDC-LLVKDONJSA-N 0 0 320.393 0.738 10 0 DCAERN C[C@H](CO[C@@H]1CCOC1)NC(=O)Cn1nnc2ccccc21 ZINC000177435236 1184227984 /nfs/dbraw/zinc/22/79/84/1184227984.db2.gz SAXCLWHUTRDOIZ-VXGBXAGGSA-N 0 0 304.350 0.742 10 0 DCAERN C[C@@H](CO[C@@H]1CCOC1)NC(=O)Cn1nnc2ccccc21 ZINC000177435219 1184228556 /nfs/dbraw/zinc/22/85/56/1184228556.db2.gz SAXCLWHUTRDOIZ-NWDGAFQWSA-N 0 0 304.350 0.742 10 0 DCAERN CO[C@H](C)CN(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307909514 1190385026 /nfs/dbraw/zinc/38/50/26/1190385026.db2.gz XIDFGYXWYVDPQW-SECBINFHSA-N 0 0 300.380 0.779 10 0 DCAERN COC(OC)[C@H](C)NC(=O)c1c(Br)nnn1C ZINC000310199345 1190388682 /nfs/dbraw/zinc/38/86/82/1190388682.db2.gz BGUCUXRIZAMYID-YFKPBYRVSA-N 0 0 307.148 0.315 10 0 DCAERN NC(=O)OCCNC(=O)c1cc(F)c(Br)cc1N ZINC000310771161 1190390191 /nfs/dbraw/zinc/39/01/91/1190390191.db2.gz TZWCMNSGFGYFPY-UHFFFAOYSA-N 0 0 320.118 0.996 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](NC[C@H](O)C1CC1)C(F)(F)F ZINC000311841999 1190392663 /nfs/dbraw/zinc/39/26/63/1190392663.db2.gz NLGVNWZDVPWSAQ-DTWKUNHWSA-N 0 0 304.334 0.169 10 0 DCAERN O=C(c1ccc(Br)cc1O)N1C[C@H](CO)[C@H](O)C1 ZINC000316181105 1190413011 /nfs/dbraw/zinc/41/30/11/1190413011.db2.gz QCLZDOCFMKIFTA-RDDDGLTNSA-N 0 0 316.151 0.580 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N[C@@H]1COC[C@@H]1O ZINC000323091639 1190445600 /nfs/dbraw/zinc/44/56/00/1190445600.db2.gz YODRKFYZQHHVGY-DUVUQDDDSA-N 0 0 303.767 0.990 10 0 DCAERN CCN1CN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1=O ZINC000588588163 747512241 /nfs/dbraw/zinc/51/22/41/747512241.db2.gz GGCARSVNWUEYJW-NSHDSACASA-N 0 0 305.382 0.336 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(CCO)CC(F)F ZINC000588616371 747546208 /nfs/dbraw/zinc/54/62/08/747546208.db2.gz KLGLMFROWNOUCS-JTQLQIEISA-N 0 0 316.352 0.774 10 0 DCAERN NC(=O)[C@@H](O)CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000228490069 768582305 /nfs/dbraw/zinc/58/23/05/768582305.db2.gz QXZQZTVJDCPEEK-YOLVWIGZSA-N 0 0 303.145 0.969 10 0 DCAERN CC[C@H](C)NC(=O)CCNS(=O)(=O)c1cccnc1F ZINC000401803804 774066671 /nfs/dbraw/zinc/06/66/71/774066671.db2.gz ARLDCTGZNIQKLP-VIFPVBQESA-N 0 0 303.359 0.804 10 0 DCAERN C[C@]1(c2cccc(CNC(=O)c3ccn[nH]3)c2)NC(=O)NC1=O ZINC000195011440 774945757 /nfs/dbraw/zinc/94/57/57/774945757.db2.gz IATSHTFAOMINAS-OAHLLOKOSA-N 0 0 313.317 0.394 10 0 DCAERN Nc1ncnc(NCCCOCCOCc2ccccc2)n1 ZINC000390813375 949115374 /nfs/dbraw/zinc/11/53/74/949115374.db2.gz ZOTSEYKYKRXGAA-UHFFFAOYSA-N 0 0 303.366 0.741 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000286540305 219043587 /nfs/dbraw/zinc/04/35/87/219043587.db2.gz YSQGTQDHJKTBMQ-KGLIPLIRSA-N 0 0 315.373 0.789 10 0 DCAERN Cn1ncnc1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000181274205 199273718 /nfs/dbraw/zinc/27/37/18/199273718.db2.gz YJBMLZTVJCVFPM-JTQLQIEISA-N 0 0 302.342 0.396 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000068101107 290626878 /nfs/dbraw/zinc/62/68/78/290626878.db2.gz XRPLXYUMPAQCRT-JQWIXIFHSA-N 0 0 314.349 0.388 10 0 DCAERN Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1cccs1)C2 ZINC000328629893 231264271 /nfs/dbraw/zinc/26/42/71/231264271.db2.gz PHLYJFPOHQOTEN-UHFFFAOYSA-N 0 0 311.388 0.589 10 0 DCAERN CC[C@H](NC(=O)N1CCS(=O)(=O)CC1)[C@H](O)C(F)(F)F ZINC000408396800 529492756 /nfs/dbraw/zinc/49/27/56/529492756.db2.gz QQXNPKAIIBSMFZ-YUMQZZPRSA-N 0 0 318.317 0.128 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1nc(Cl)ccc1Cl ZINC000090014813 185277959 /nfs/dbraw/zinc/27/79/59/185277959.db2.gz CNTJFGDRXMULEM-LURJTMIESA-N 0 0 302.117 0.923 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NCCOC(C)C)CCO2)[nH]1 ZINC000186860287 529700953 /nfs/dbraw/zinc/70/09/53/529700953.db2.gz TYBRFPUHONTOEB-LLVKDONJSA-N 0 0 311.386 0.875 10 0 DCAERN Cc1ccccc1CS(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000181412918 199292652 /nfs/dbraw/zinc/29/26/52/199292652.db2.gz CUMICRWZLUSGIS-VXGBXAGGSA-N 0 0 304.389 0.068 10 0 DCAERN CC(C)OCCC(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000095397197 185353132 /nfs/dbraw/zinc/35/31/32/185353132.db2.gz HEYMJSNEIZPMEE-UHFFFAOYSA-N 0 0 304.456 0.761 10 0 DCAERN Cc1ccc(CS(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000181442771 199298160 /nfs/dbraw/zinc/29/81/60/199298160.db2.gz SQUGYLVZPHONEP-STQMWFEESA-N 0 0 318.416 0.376 10 0 DCAERN CCOc1ccc(CNC(=O)Cn2ncn(C)c2=O)cc1F ZINC000181621495 199328834 /nfs/dbraw/zinc/32/88/34/199328834.db2.gz RURPHLOMTPESOS-UHFFFAOYSA-N 0 0 308.313 0.436 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(CCc2ccccc2F)CCO1 ZINC000275854522 529852391 /nfs/dbraw/zinc/85/23/91/529852391.db2.gz XDYFCEVWGQMZAO-AWEZNQCLSA-N 0 0 309.385 0.486 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H]2CCC(C)(C)O2)cn1 ZINC000189276716 529876721 /nfs/dbraw/zinc/87/67/21/529876721.db2.gz UEFNNJHOSOHLAT-NSHDSACASA-N 0 0 309.370 0.708 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(C)C ZINC000178589130 529920530 /nfs/dbraw/zinc/92/05/30/529920530.db2.gz PGGFPLDXSFOEBD-LLVKDONJSA-N 0 0 309.366 0.919 10 0 DCAERN C[C@H]1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CCS1(=O)=O ZINC000408234454 290725372 /nfs/dbraw/zinc/72/53/72/290725372.db2.gz FOVXXJIZMOFNQF-ONGXEEELSA-N 0 0 312.395 0.096 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(c2nccnc2OC(C)C)C1 ZINC000302166799 530023983 /nfs/dbraw/zinc/02/39/83/530023983.db2.gz RUIUUVKMNIFTDQ-SNVBAGLBSA-N 0 0 300.384 0.392 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCS(=O)CC2)[C@@H]1c1cccnc1 ZINC000155836090 530044159 /nfs/dbraw/zinc/04/41/59/530044159.db2.gz WWRNQYHVMIIMME-OCCSQVGLSA-N 0 0 321.402 0.192 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(CO)c2)CC1 ZINC000181715186 199342747 /nfs/dbraw/zinc/34/27/47/199342747.db2.gz IQVUKICFDMZIQW-INIZCTEOSA-N 0 0 321.421 0.777 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)CCNC(=O)c2ccsc2)C1 ZINC000108459402 185514424 /nfs/dbraw/zinc/51/44/24/185514424.db2.gz KTLYYHJHIDDTQK-SNVBAGLBSA-N 0 0 310.375 0.890 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)NCc2ccc(Cl)cn2)CCO1 ZINC000181746718 199346750 /nfs/dbraw/zinc/34/67/50/199346750.db2.gz FEIXTFJOFNRGNR-LLVKDONJSA-N 0 0 312.757 0.391 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181793432 199352929 /nfs/dbraw/zinc/35/29/29/199352929.db2.gz PSTSHHLVOWUNGD-SNVBAGLBSA-N 0 0 302.334 0.902 10 0 DCAERN C[C@@H](C(=O)N1CCNC[C@H]1c1cccnc1)N1CCOCC1 ZINC000261678113 295737450 /nfs/dbraw/zinc/73/74/50/295737450.db2.gz BRNJWSQXNPAMJX-ZFWWWQNUSA-N 0 0 304.394 0.275 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCO[C@H]1C(C)C ZINC000408274043 290762024 /nfs/dbraw/zinc/76/20/24/290762024.db2.gz IPHRYOWONWOAOD-AVGNSLFASA-N 0 0 318.439 0.588 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CCn2cccc2)cc1 ZINC000074694199 545670292 /nfs/dbraw/zinc/67/02/92/545670292.db2.gz TVISIAZHORFTOB-UHFFFAOYSA-N 0 0 307.375 0.842 10 0 DCAERN COC[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)[C@H]1CCCO1 ZINC000279794169 215153149 /nfs/dbraw/zinc/15/31/49/215153149.db2.gz VXDRUHBQYAIZCB-MELADBBJSA-N 0 0 322.409 0.939 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)C(=O)N[C@H]3CCSC3)C2)cn1 ZINC000287077542 219299995 /nfs/dbraw/zinc/29/99/95/219299995.db2.gz UTZSMTFOYILNFM-JQWIXIFHSA-N 0 0 308.407 0.358 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000170898560 197847765 /nfs/dbraw/zinc/84/77/65/197847765.db2.gz ZORCVXTTWFQPPB-PRHODGIISA-N 0 0 319.283 0.610 10 0 DCAERN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@](O)(CO)CC1 ZINC000072133794 191045582 /nfs/dbraw/zinc/04/55/82/191045582.db2.gz HPBTZDQEUMGFPG-MRXNPFEDSA-N 0 0 320.345 0.330 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccc(C(N)=O)c1)C1CCOCC1 ZINC000177871956 186196859 /nfs/dbraw/zinc/19/68/59/186196859.db2.gz DZNVJYMQFROGLX-JTQLQIEISA-N 0 0 312.391 0.879 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)NCc1ccc(CO)c(F)c1 ZINC000175650171 186185412 /nfs/dbraw/zinc/18/54/12/186185412.db2.gz DOCQPXGOKWGBDN-UHFFFAOYSA-N 0 0 318.370 0.262 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1F ZINC000179687434 186205736 /nfs/dbraw/zinc/20/57/36/186205736.db2.gz ANLIBDMLKDUZAH-LLVKDONJSA-N 0 0 302.327 0.009 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2nccs2)CC1 ZINC000171397023 197930293 /nfs/dbraw/zinc/93/02/93/197930293.db2.gz WPGYROMQLDKBLI-GHMZBOCLSA-N 0 0 309.391 0.991 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccnc(Cl)c2)C1 ZINC000181930858 186220673 /nfs/dbraw/zinc/22/06/73/186220673.db2.gz UGPITFPWKVHKHD-VIFPVBQESA-N 0 0 318.786 0.890 10 0 DCAERN O=C(NCc1cccc(CO)c1)N[C@H]1CCc2ncnn2C1 ZINC000171870743 197998397 /nfs/dbraw/zinc/99/83/97/197998397.db2.gz QTYOTNFUACXWSX-ZDUSSCGKSA-N 0 0 301.350 0.585 10 0 DCAERN O=C(NCCCn1ccnc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171896867 198002720 /nfs/dbraw/zinc/00/27/20/198002720.db2.gz CUYVWEWAOJBFNT-CQSZACIVSA-N 0 0 318.381 0.580 10 0 DCAERN O=C(NC[C@@H]1CCCOC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171903502 198004773 /nfs/dbraw/zinc/00/47/73/198004773.db2.gz SORWLTVLCVMWCQ-UONOGXRCSA-N 0 0 308.382 0.720 10 0 DCAERN CCN1CC(=O)N([C@H]2CCCN(c3cc(C)nn3C)C2)C1=O ZINC000280071970 215354466 /nfs/dbraw/zinc/35/44/66/215354466.db2.gz LBKHNUFGRXIOOB-LBPRGKRZSA-N 0 0 305.382 0.981 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000172315496 198078600 /nfs/dbraw/zinc/07/86/00/198078600.db2.gz QHVHGSAPUOVKJU-CYBMUJFWSA-N 0 0 312.391 0.353 10 0 DCAERN CN1C[C@@H](NC(=O)NCc2ccc(CO)c(F)c2)CCC1=O ZINC000172574794 198118017 /nfs/dbraw/zinc/11/80/17/198118017.db2.gz JQNFQQNGJQCKQB-LBPRGKRZSA-N 0 0 309.341 0.738 10 0 DCAERN Cc1nn(C)cc1-c1ccnc(N2CCC(C(N)=O)CC2)n1 ZINC000072462161 191172462 /nfs/dbraw/zinc/17/24/62/191172462.db2.gz KOXMYYYVJDMYBB-UHFFFAOYSA-N 0 0 300.366 0.887 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cnns2)ncn1 ZINC000173431756 198214109 /nfs/dbraw/zinc/21/41/09/198214109.db2.gz ZILYMAYLKPLZJU-VIFPVBQESA-N 0 0 319.394 0.769 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000173476917 198218573 /nfs/dbraw/zinc/21/85/73/198218573.db2.gz KGWXAVIMKLZBLV-GXFFZTMASA-N 0 0 324.402 0.687 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000173507520 198221633 /nfs/dbraw/zinc/22/16/33/198221633.db2.gz WMSJODYZBLZHSR-GFCCVEGCSA-N 0 0 302.400 0.089 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)CNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173554753 198226497 /nfs/dbraw/zinc/22/64/97/198226497.db2.gz SJMMOCKXJQXFFA-SNVBAGLBSA-N 0 0 323.397 0.429 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000173696190 198241503 /nfs/dbraw/zinc/24/15/03/198241503.db2.gz WJWMVHNJSBEICJ-DOMZBBRYSA-N 0 0 318.377 0.148 10 0 DCAERN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(=O)[nH]1 ZINC000173855105 198260805 /nfs/dbraw/zinc/26/08/05/198260805.db2.gz HFNJCJDULOHXFR-RISCZKNCSA-N 0 0 305.378 0.476 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(C(N)=O)nn1)CC2 ZINC000173985147 198277287 /nfs/dbraw/zinc/27/72/87/198277287.db2.gz YEAHRNRTBNPXSQ-VIFPVBQESA-N 0 0 301.354 0.717 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)CNC(=O)c1ccccn1 ZINC000174102188 198292220 /nfs/dbraw/zinc/29/22/20/198292220.db2.gz QKMLNZPSRFHTDV-UHFFFAOYSA-N 0 0 301.350 0.478 10 0 DCAERN Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCC(=O)NC3=O)c2)cs1 ZINC000174270429 198312896 /nfs/dbraw/zinc/31/28/96/198312896.db2.gz GMQXVPWLYZFOBN-VIFPVBQESA-N 0 0 318.358 0.982 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000175963615 198531389 /nfs/dbraw/zinc/53/13/89/198531389.db2.gz YIFNSJXIYRGQTC-OAHLLOKOSA-N 0 0 324.425 0.353 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000182841781 199498801 /nfs/dbraw/zinc/49/88/01/199498801.db2.gz OGNRTHUDKXRINA-QMTHXVAHSA-N 0 0 314.407 0.770 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000246924671 283067509 /nfs/dbraw/zinc/06/75/09/283067509.db2.gz GXCPFNDVNROUGT-AWEZNQCLSA-N 0 0 319.471 0.760 10 0 DCAERN C[C@H](NC(=O)NC(CO)CO)c1cccc(-n2ccnc2)c1 ZINC000074876515 191377468 /nfs/dbraw/zinc/37/74/68/191377468.db2.gz SXJJUIJIDHEREG-NSHDSACASA-N 0 0 304.350 0.586 10 0 DCAERN CC(=O)Nc1cccc(C(=O)NCC(=O)N2CCOCC2)c1 ZINC000074885488 191379019 /nfs/dbraw/zinc/37/90/19/191379019.db2.gz QYJIYDFQWGTANG-UHFFFAOYSA-N 0 0 305.334 0.234 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC[C@H](O)C2)[C@@H]1c1cccnc1 ZINC000077612446 191743199 /nfs/dbraw/zinc/74/31/99/191743199.db2.gz IEMRNDNSRMPDKT-GUTXKFCHSA-N 0 0 303.362 0.584 10 0 DCAERN CN(CC(=O)NCC(=O)N1CCCC1)Cc1ccc(Cl)nc1 ZINC000080909126 192199729 /nfs/dbraw/zinc/19/97/29/192199729.db2.gz CYLBIECBLFPPEQ-UHFFFAOYSA-N 0 0 324.812 0.905 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)CCC1CCN(C(C)=O)CC1 ZINC000081442559 192268112 /nfs/dbraw/zinc/26/81/12/192268112.db2.gz NRNPPHMDIMLRIE-GFCCVEGCSA-N 0 0 311.426 0.866 10 0 DCAERN CCN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1COCCN1 ZINC000236949271 202088232 /nfs/dbraw/zinc/08/82/32/202088232.db2.gz MCRWDCXRZXKGNI-CQSZACIVSA-N 0 0 305.378 0.140 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cccs1 ZINC000178280228 198841773 /nfs/dbraw/zinc/84/17/73/198841773.db2.gz WZBZZTZPWBYCGH-JTQLQIEISA-N 0 0 320.436 0.881 10 0 DCAERN CN(C)c1cccc(-c2nnc(S[C@@H]3CCNC3=O)n2N)c1 ZINC000179089932 198981551 /nfs/dbraw/zinc/98/15/51/198981551.db2.gz KVRQGMAHNDDHQS-LLVKDONJSA-N 0 0 318.406 0.706 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185907399 283291158 /nfs/dbraw/zinc/29/11/58/283291158.db2.gz LYWYRHPLCCQHHG-XHDPSFHLSA-N 0 0 323.780 0.864 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000179253727 199005476 /nfs/dbraw/zinc/00/54/76/199005476.db2.gz XOCPHKYKRQCZMG-AWEZNQCLSA-N 0 0 315.373 0.946 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@@H](C)CO)C2=O)n(C)n1 ZINC000179387098 199026065 /nfs/dbraw/zinc/02/60/65/199026065.db2.gz JVLYMLKIYKKRND-NWDGAFQWSA-N 0 0 323.397 0.246 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)CO)C2=O)n(C)n1 ZINC000179387121 199026534 /nfs/dbraw/zinc/02/65/34/199026534.db2.gz JVLYMLKIYKKRND-VXGBXAGGSA-N 0 0 323.397 0.246 10 0 DCAERN COc1cc(F)cc(CNC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000179454044 199037956 /nfs/dbraw/zinc/03/79/56/199037956.db2.gz CLSKXUWWPRUUBR-CQSZACIVSA-N 0 0 311.357 0.964 10 0 DCAERN CN(C(=O)c1cn(C)cn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000179498010 199045727 /nfs/dbraw/zinc/04/57/27/199045727.db2.gz PRASRBUEBZPOKE-GFCCVEGCSA-N 0 0 300.366 0.951 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCC(=O)NCC1CC1 ZINC000179929807 199095301 /nfs/dbraw/zinc/09/53/01/199095301.db2.gz KHGWNVKNEHGROF-UHFFFAOYSA-N 0 0 320.802 0.186 10 0 DCAERN Cc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1C(N)=O ZINC000180192065 199128992 /nfs/dbraw/zinc/12/89/92/199128992.db2.gz VOJBTCINTNOMKT-CYBMUJFWSA-N 0 0 302.334 0.057 10 0 DCAERN COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000180643069 199189839 /nfs/dbraw/zinc/18/98/39/199189839.db2.gz PWDGPZFIVAOHFT-MFKMUULPSA-N 0 0 317.349 0.968 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NCCNC(=O)N(C)C)no2)c1 ZINC000180650506 199190500 /nfs/dbraw/zinc/19/05/00/199190500.db2.gz WKZYRUANEBGBSG-UHFFFAOYSA-N 0 0 320.353 0.229 10 0 DCAERN COCCCOCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000180865348 199221008 /nfs/dbraw/zinc/22/10/08/199221008.db2.gz FRVPQCOUSJJGNQ-CYBMUJFWSA-N 0 0 308.382 0.615 10 0 DCAERN C[C@@]1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCO1 ZINC000123821059 236943481 /nfs/dbraw/zinc/94/34/81/236943481.db2.gz WVVPLJBZSJNZDJ-ZDUSSCGKSA-N 0 0 304.412 0.774 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000126688000 236959570 /nfs/dbraw/zinc/95/95/70/236959570.db2.gz JGEVKVXEVHCPPA-CMPLNLGQSA-N 0 0 304.412 0.484 10 0 DCAERN CCc1nnc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)n1C ZINC000172076088 237142584 /nfs/dbraw/zinc/14/25/84/237142584.db2.gz AUSCEVYFZHKIOB-JTQLQIEISA-N 0 0 300.428 0.775 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000175866752 237189190 /nfs/dbraw/zinc/18/91/90/237189190.db2.gz UIVBUCXQFMURHJ-NSHDSACASA-N 0 0 322.413 0.978 10 0 DCAERN Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c2cnn(C)c2n1 ZINC000175726268 237189475 /nfs/dbraw/zinc/18/94/75/237189475.db2.gz KEBMELZZWITBON-JTQLQIEISA-N 0 0 322.390 0.536 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000175866771 237189829 /nfs/dbraw/zinc/18/98/29/237189829.db2.gz UIVBUCXQFMURHJ-LLVKDONJSA-N 0 0 322.413 0.978 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(F)c(F)c(F)c1F ZINC000089753618 192858332 /nfs/dbraw/zinc/85/83/32/192858332.db2.gz HOAHVHODYFOOBF-LURJTMIESA-N 0 0 304.199 0.778 10 0 DCAERN COC(C)(C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000178740417 237233727 /nfs/dbraw/zinc/23/37/27/237233727.db2.gz RCXFFOBBXOHCKO-UHFFFAOYSA-N 0 0 306.409 0.568 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@H](O)CC(C)(C)C)[C@H](C)CO1 ZINC000178780300 237237187 /nfs/dbraw/zinc/23/71/87/237237187.db2.gz LJVGLGLHSRNTNK-IJLUTSLNSA-N 0 0 308.444 0.727 10 0 DCAERN O=C(c1nccn1C[C@@H](O)CN1CCOCC1)c1cccnc1 ZINC000186763267 237321516 /nfs/dbraw/zinc/32/15/16/237321516.db2.gz GEIUMPMHVQUVMO-AWEZNQCLSA-N 0 0 316.361 0.202 10 0 DCAERN Cc1oc(C(=O)NC[C@H]2CCC(C)(C)O2)cc1S(N)(=O)=O ZINC000187395295 200106336 /nfs/dbraw/zinc/10/63/36/200106336.db2.gz BCGSQBMIBTZQGF-SECBINFHSA-N 0 0 316.379 0.923 10 0 DCAERN C[C@@H]1CN(CC(=O)NCc2ccc(F)cc2)CCN1CCO ZINC000187705512 237356052 /nfs/dbraw/zinc/35/60/52/237356052.db2.gz VZJLJRAOPGIBJB-CYBMUJFWSA-N 0 0 309.385 0.440 10 0 DCAERN CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187697944 200146027 /nfs/dbraw/zinc/14/60/27/200146027.db2.gz ZVCULOFXHJKFDY-KGLIPLIRSA-N 0 0 323.441 0.789 10 0 DCAERN C[C@@H](C(=O)NCc1cccs1)N1CCN(CCO)[C@@H](C)C1 ZINC000187716046 200148395 /nfs/dbraw/zinc/14/83/95/200148395.db2.gz STSJHOXRCSMEID-STQMWFEESA-N 0 0 311.451 0.751 10 0 DCAERN Cc1ccccc1CS(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000188283132 200222187 /nfs/dbraw/zinc/22/21/87/200222187.db2.gz XWGRJKSBHRUKMR-CQSZACIVSA-N 0 0 312.435 0.823 10 0 DCAERN COc1ccc(CC(=O)N2CCN(CCO)[C@H](C)C2)cc1F ZINC000188721834 200294797 /nfs/dbraw/zinc/29/47/97/200294797.db2.gz TWISGOMOAWIYDK-GFCCVEGCSA-N 0 0 310.369 0.902 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188731281 200295505 /nfs/dbraw/zinc/29/55/05/200295505.db2.gz WMRYTVAIVXBWCW-CYBMUJFWSA-N 0 0 319.405 0.461 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000154156190 291211416 /nfs/dbraw/zinc/21/14/16/291211416.db2.gz HGSVSVVTWSBBCT-UHFFFAOYSA-N 0 0 300.274 0.811 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1cccc(C(N)=O)c1 ZINC000154624558 291214742 /nfs/dbraw/zinc/21/47/42/291214742.db2.gz VCBMNMCXQBZBHT-UHFFFAOYSA-N 0 0 300.318 0.153 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N(C)CCNC(=O)C(C)C ZINC000154786146 291215667 /nfs/dbraw/zinc/21/56/67/291215667.db2.gz FICBYQNRYDASSR-UHFFFAOYSA-N 0 0 324.381 0.715 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000154875281 291216243 /nfs/dbraw/zinc/21/62/43/291216243.db2.gz IVLDDCGFCWSLIE-NXEZZACHSA-N 0 0 306.370 0.708 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc(-c2ccccc2)on1 ZINC000155351070 291219264 /nfs/dbraw/zinc/21/92/64/291219264.db2.gz YPJDHPHZBQULRT-NSHDSACASA-N 0 0 314.301 0.556 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCCC[C@H]1CO ZINC000156448074 291224975 /nfs/dbraw/zinc/22/49/75/291224975.db2.gz SBKGYYYGYPJLEC-ONGXEEELSA-N 0 0 317.349 0.109 10 0 DCAERN CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)C1(O)CCC1 ZINC000281221126 216163099 /nfs/dbraw/zinc/16/30/99/216163099.db2.gz NQYRFNBSTAWYJA-STQMWFEESA-N 0 0 324.400 0.706 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC000157077821 291226966 /nfs/dbraw/zinc/22/69/66/291226966.db2.gz OLEPVYOXLGDMDI-QWRGUYRKSA-N 0 0 304.412 0.327 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000158802059 291232523 /nfs/dbraw/zinc/23/25/23/291232523.db2.gz YATHLWWRMBNJFK-WDEREUQCSA-N 0 0 315.391 0.697 10 0 DCAERN C[C@]1(C(=O)N2CCN(c3ncccc3F)CC2)CCC(=O)NC1 ZINC000281299585 216222090 /nfs/dbraw/zinc/22/20/90/216222090.db2.gz JCYLRXGUUAAPDT-INIZCTEOSA-N 0 0 320.368 0.786 10 0 DCAERN CCCN1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000163809532 291246907 /nfs/dbraw/zinc/24/69/07/291246907.db2.gz LLJQFAWUWLBBGZ-UHFFFAOYSA-N 0 0 320.397 0.035 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000163627469 291246938 /nfs/dbraw/zinc/24/69/38/291246938.db2.gz PXGJNMWVLKBVSJ-MNOVXSKESA-N 0 0 321.381 0.344 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCCS1(=O)=O ZINC000168842069 291249462 /nfs/dbraw/zinc/24/94/62/291249462.db2.gz PJEVOQUOPCNVPQ-GHMZBOCLSA-N 0 0 305.396 0.658 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC1=O ZINC000281509651 216350397 /nfs/dbraw/zinc/35/03/97/216350397.db2.gz HRYAJEQEHBHCRV-NSHDSACASA-N 0 0 324.402 0.988 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1OC ZINC000408356784 239267049 /nfs/dbraw/zinc/26/70/49/239267049.db2.gz GLPOVNCDTIJJBH-IACUBPJLSA-N 0 0 310.394 0.650 10 0 DCAERN COc1ccnc(N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)n1 ZINC000275502729 212377162 /nfs/dbraw/zinc/37/71/62/212377162.db2.gz JSNLRIIBQIDUFH-MFKMUULPSA-N 0 0 302.338 0.651 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000566713587 291319615 /nfs/dbraw/zinc/31/96/15/291319615.db2.gz HFWBKZPEKGZGBE-JSGCOSHPSA-N 0 0 318.439 0.843 10 0 DCAERN Cn1cc([C@@H](CO)NC(=O)N[C@H]2CCCc3nn(C)cc32)cn1 ZINC000566725737 291319795 /nfs/dbraw/zinc/31/97/95/291319795.db2.gz TVDNUDDAJXSLDN-GXTWGEPZSA-N 0 0 318.381 0.564 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)NCCn2cccn2)cn1 ZINC000441732813 240535102 /nfs/dbraw/zinc/53/51/02/240535102.db2.gz UBYAPSYAWSLHEA-UHFFFAOYSA-N 0 0 302.338 0.099 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NCCCS(C)(=O)=O)no1 ZINC000442115658 240540795 /nfs/dbraw/zinc/54/07/95/240540795.db2.gz ALKBTQRVSKTDSG-UHFFFAOYSA-N 0 0 318.399 0.601 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CO ZINC000444278650 240563292 /nfs/dbraw/zinc/56/32/92/240563292.db2.gz UIRSHBOZDJZYBR-QCNOEVLYSA-N 0 0 323.386 0.453 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1ccc(OC(F)F)cc1 ZINC000091781009 193107165 /nfs/dbraw/zinc/10/71/65/193107165.db2.gz SEPYMRWFQWOZBL-LLVKDONJSA-N 0 0 314.288 0.543 10 0 DCAERN COc1ccccc1[C@@H](C)CC(=O)N1CCOC[C@H]1C(N)=O ZINC000091783040 193107459 /nfs/dbraw/zinc/10/74/59/193107459.db2.gz XKSTZBJHRDANCI-AAEUAGOBSA-N 0 0 306.362 0.902 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000091783396 193107659 /nfs/dbraw/zinc/10/76/59/193107659.db2.gz VLQWIWWUZCRMNQ-CQSZACIVSA-N 0 0 301.346 0.813 10 0 DCAERN CC(C)COc1ccc(CC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091783843 193107979 /nfs/dbraw/zinc/10/79/79/193107979.db2.gz BKVQPPMEZPTRNN-OAHLLOKOSA-N 0 0 320.389 0.977 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](OC)[C@@H](C)C2)C1 ZINC000454680329 240801124 /nfs/dbraw/zinc/80/11/24/240801124.db2.gz OLMSHDCNCLFLAM-RWMBFGLXSA-N 0 0 312.414 0.857 10 0 DCAERN CCn1ccnc(N2CCN(C(C)(C)C(=O)OC)CC2)c1=O ZINC000489896957 241099593 /nfs/dbraw/zinc/09/95/93/241099593.db2.gz OSGPRKAVODTQAW-UHFFFAOYSA-N 0 0 308.382 0.337 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)CSC ZINC000495210820 241211039 /nfs/dbraw/zinc/21/10/39/241211039.db2.gz DXNPPZUANANDOF-GUBZILKMSA-N 0 0 319.427 0.493 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CC(=O)NCC2(C)C)c1 ZINC000281918751 216631497 /nfs/dbraw/zinc/63/14/97/216631497.db2.gz GRTPAKFNNIVSOP-UHFFFAOYSA-N 0 0 314.411 0.438 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCOC[C@@H]1C1CC1 ZINC000365580493 291390175 /nfs/dbraw/zinc/39/01/75/291390175.db2.gz HRKPCMFJPATUNA-JHJVBQTASA-N 0 0 317.407 0.769 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000408022181 284023313 /nfs/dbraw/zinc/02/33/13/284023313.db2.gz RQEOFMHXKBDCDF-XGUBFFRZSA-N 0 0 324.421 0.897 10 0 DCAERN OCC[C@H]1CSCCN1Cc1nnn(CC(F)(F)F)n1 ZINC000568469137 291430107 /nfs/dbraw/zinc/43/01/07/291430107.db2.gz HISFNLYKJMINBQ-QMMMGPOBSA-N 0 0 311.333 0.535 10 0 DCAERN C[C@@H](c1cccnc1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000093234530 193220333 /nfs/dbraw/zinc/22/03/33/193220333.db2.gz VNDNWSWYVFZGGD-JSGCOSHPSA-N 0 0 304.394 0.798 10 0 DCAERN COC(=O)c1ccccc1CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000093530695 193265807 /nfs/dbraw/zinc/26/58/07/193265807.db2.gz FVFYWIKQDMHPQO-GFCCVEGCSA-N 0 0 312.391 0.597 10 0 DCAERN COc1c(CN2CCc3nn(C)c(=O)cc3C2)c(C)nn1C ZINC000093756504 193300624 /nfs/dbraw/zinc/30/06/24/193300624.db2.gz QAQKSYBIBMLYMU-UHFFFAOYSA-N 0 0 303.366 0.389 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCN1C(=O)CCC1=O ZINC000246253860 284192108 /nfs/dbraw/zinc/19/21/08/284192108.db2.gz JIGYNIBJZNWKDE-UPJWGTAASA-N 0 0 308.378 0.942 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](C)N1CCN(C)CC1 ZINC000364958120 284204327 /nfs/dbraw/zinc/20/43/27/284204327.db2.gz WPRZUTPABOXPLI-YJNKXOJESA-N 0 0 323.437 0.422 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191139247 284274640 /nfs/dbraw/zinc/27/46/40/284274640.db2.gz DZJFYGNYBYMYEF-OBJOEFQTSA-N 0 0 314.426 0.924 10 0 DCAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)N1CCN(C2CC2)CC1 ZINC000571684324 291527872 /nfs/dbraw/zinc/52/78/72/291527872.db2.gz HHQCIIVOLGULFZ-RRFJBIMHSA-N 0 0 321.421 0.367 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374707898 284300108 /nfs/dbraw/zinc/30/01/08/284300108.db2.gz SPICRKSEBJJREZ-GHMZBOCLSA-N 0 0 310.398 0.354 10 0 DCAERN Cn1cc([C@@H](NC(=O)CCn2cncn2)C(F)(F)F)cn1 ZINC000572088069 291547720 /nfs/dbraw/zinc/54/77/20/291547720.db2.gz LSLUEGIAYFCWTH-SNVBAGLBSA-N 0 0 302.260 0.822 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1=O ZINC000266116250 205110556 /nfs/dbraw/zinc/11/05/56/205110556.db2.gz NUPKVIZKNBLMJL-JHJVBQTASA-N 0 0 316.357 0.908 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H]1CCC[C@H]1O ZINC000266184237 205165924 /nfs/dbraw/zinc/16/59/24/205165924.db2.gz GMYBRVITQHQPLI-GXTWGEPZSA-N 0 0 308.353 0.762 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CCOC[C@H]1C1CC1 ZINC000188966024 296191499 /nfs/dbraw/zinc/19/14/99/296191499.db2.gz RIJFIJDOBDQCQW-ZDUSSCGKSA-N 0 0 300.318 0.569 10 0 DCAERN Cc1cc(O)ccc1N1C(=O)C[C@@H](SC[C@@H]([NH3+])C(=O)[O-])C1=O ZINC000016900381 182063150 /nfs/dbraw/zinc/06/31/50/182063150.db2.gz DXXOAHHVUPJTLH-MWLCHTKSSA-N 0 0 324.358 0.478 10 0 DCAERN COCCCNC(=O)c1ccc(NC(=O)CC(=O)OC)cc1 ZINC000020114153 182188244 /nfs/dbraw/zinc/18/82/44/182188244.db2.gz LUVUCOISXLCTGT-UHFFFAOYSA-N 0 0 308.334 0.955 10 0 DCAERN COc1cc(C)ccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000021027044 182262020 /nfs/dbraw/zinc/26/20/20/182262020.db2.gz DLZLDSKIYYZKLB-UHFFFAOYSA-N 0 0 305.290 0.398 10 0 DCAERN COC(=O)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000021161028 182267178 /nfs/dbraw/zinc/26/71/78/182267178.db2.gz KSNPFZCXKVGLJM-LBPRGKRZSA-N 0 0 320.370 0.717 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000021937488 182299035 /nfs/dbraw/zinc/29/90/35/182299035.db2.gz UCDGPYOPLTWUNA-JTQLQIEISA-N 0 0 309.366 0.771 10 0 DCAERN O=C(c1cccnc1Cl)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000037984054 182953663 /nfs/dbraw/zinc/95/36/63/182953663.db2.gz SYVOHNMDDCEKOR-VIFPVBQESA-N 0 0 318.782 0.357 10 0 DCAERN CCOC(=O)CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)C(C)C ZINC000038013034 182963435 /nfs/dbraw/zinc/96/34/35/182963435.db2.gz LLJZXFNWRGNNIV-LLVKDONJSA-N 0 0 320.411 0.211 10 0 DCAERN Cn1nnc(CNC(=O)c2ncsc2Br)n1 ZINC000573910323 291662333 /nfs/dbraw/zinc/66/23/33/291662333.db2.gz WYPJQVZHRQMYPU-UHFFFAOYSA-N 0 0 303.145 0.359 10 0 DCAERN CCCNC(=O)Cn1c(CNC(=O)COC)nc2ccccc21 ZINC000040296369 183052663 /nfs/dbraw/zinc/05/26/63/183052663.db2.gz OPPPGRKJVYEVOT-UHFFFAOYSA-N 0 0 318.377 0.825 10 0 DCAERN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040378353 183058055 /nfs/dbraw/zinc/05/80/55/183058055.db2.gz PAQAOUJZMOWTDE-ZDUSSCGKSA-N 0 0 311.407 0.261 10 0 DCAERN NC(=S)c1cccc(S(=O)(=O)N(CCO)C2CC2)c1 ZINC000042480859 183275159 /nfs/dbraw/zinc/27/51/59/183275159.db2.gz VJIKOVBLNMMQHZ-UHFFFAOYSA-N 0 0 300.405 0.466 10 0 DCAERN Cc1nc2ccccc2n1CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000042849476 183314456 /nfs/dbraw/zinc/31/44/56/183314456.db2.gz LROXHMFZGYCCJP-NSHDSACASA-N 0 0 315.333 0.059 10 0 DCAERN C[C@@H](O)CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000043002505 183326782 /nfs/dbraw/zinc/32/67/82/183326782.db2.gz QDLQXGVKVLERND-GFCCVEGCSA-N 0 0 305.378 0.971 10 0 DCAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(N)=O ZINC000044684634 183432260 /nfs/dbraw/zinc/43/22/60/183432260.db2.gz FMSRFJCXFUEJRE-LURJTMIESA-N 0 0 324.280 0.584 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cnn(C)c2Br)C1 ZINC000274117329 211370503 /nfs/dbraw/zinc/37/05/03/211370503.db2.gz AFQLQTKQMZDZOZ-SSDOTTSWSA-N 0 0 316.155 0.818 10 0 DCAERN Cc1ccn(C[C@@](C)(O)C(=O)NCCOCC2CCC2)c(=O)c1 ZINC000574569994 291703042 /nfs/dbraw/zinc/70/30/42/291703042.db2.gz GRISOMGNYMIOLN-QGZVFWFLSA-N 0 0 322.405 0.841 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1ccccc1 ZINC000104357171 194000973 /nfs/dbraw/zinc/00/09/73/194000973.db2.gz ISQLOGDBISHRNG-AWEZNQCLSA-N 0 0 317.389 0.934 10 0 DCAERN CCNC(=O)c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 ZINC000105114803 194074691 /nfs/dbraw/zinc/07/46/91/194074691.db2.gz MCKBRSUDVKSYSC-UHFFFAOYSA-N 0 0 318.377 0.468 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)CCCOC)CC2)n1 ZINC000105820023 194136204 /nfs/dbraw/zinc/13/62/04/194136204.db2.gz DJZFTMPFFNDMNX-UHFFFAOYSA-N 0 0 308.382 0.951 10 0 DCAERN O=C(C1=COCCO1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105816817 194136411 /nfs/dbraw/zinc/13/64/11/194136411.db2.gz MKHSYJZHPPBZCU-HNNXBMFYSA-N 0 0 318.373 0.752 10 0 DCAERN COCCCNC(=O)[C@H](C)N1CCCN(c2cccnn2)CC1 ZINC000105799463 194132386 /nfs/dbraw/zinc/13/23/86/194132386.db2.gz MRAGDWXYKAJMLF-AWEZNQCLSA-N 0 0 321.425 0.530 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)CN3C(=O)CN(C)C3=O)C2)c1 ZINC000105858217 194148380 /nfs/dbraw/zinc/14/83/80/194148380.db2.gz GUPXEXDVDUEOQF-LBPRGKRZSA-N 0 0 319.365 0.249 10 0 DCAERN Cc1cnn(C[C@H]2CN(CCN3C(=O)CCC3=O)CCO2)c1 ZINC000105892472 194160606 /nfs/dbraw/zinc/16/06/06/194160606.db2.gz BMDBVOGTNOHVTP-CYBMUJFWSA-N 0 0 306.366 0.041 10 0 DCAERN CCOc1cc(C)nc(N2CCN([C@@H]3CCOC3=O)CC2)n1 ZINC000105868722 194151701 /nfs/dbraw/zinc/15/17/01/194151701.db2.gz QCIOCXPGQFPQMB-GFCCVEGCSA-N 0 0 306.366 0.621 10 0 DCAERN C[C@@H]1CN(c2ccc(CNC(=O)NCCCO)cn2)C[C@H](C)O1 ZINC000047598325 183596786 /nfs/dbraw/zinc/59/67/86/183596786.db2.gz BCVKTBZVKKOWLI-BETUJISGSA-N 0 0 322.409 0.877 10 0 DCAERN CNC(=O)NC(=O)[C@@H](C)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000106372114 194202570 /nfs/dbraw/zinc/20/25/70/194202570.db2.gz RPFNTNUHKJLVTM-SNVBAGLBSA-N 0 0 307.398 0.746 10 0 DCAERN O=C(c1cnsn1)N1CCC(c2ccnn2CCO)CC1 ZINC000181915969 296294783 /nfs/dbraw/zinc/29/47/83/296294783.db2.gz RZASUMAPFONYHC-UHFFFAOYSA-N 0 0 307.379 0.747 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000106397858 194206042 /nfs/dbraw/zinc/20/60/42/194206042.db2.gz FNYPBVCWMBPFDQ-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN CC(=O)N(C)CCc1noc(-c2ccc3[nH]c(=O)n(C)c3c2)n1 ZINC000273771282 211043865 /nfs/dbraw/zinc/04/38/65/211043865.db2.gz FLDVQRDAWDQFFD-UHFFFAOYSA-N 0 0 315.333 0.937 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000048699883 183680825 /nfs/dbraw/zinc/68/08/25/183680825.db2.gz KTZFJPBTISFNIN-SNVBAGLBSA-N 0 0 302.338 0.762 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000109938402 194300115 /nfs/dbraw/zinc/30/01/15/194300115.db2.gz NDFJIAWUFOPLQX-NSHDSACASA-N 0 0 309.366 0.798 10 0 DCAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cnsn3)CCO2)n1 ZINC000110901794 194367838 /nfs/dbraw/zinc/36/78/38/194367838.db2.gz MQOLIEYEEUXRAO-NSHDSACASA-N 0 0 307.379 0.893 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)c1 ZINC000112068048 194429092 /nfs/dbraw/zinc/42/90/92/194429092.db2.gz JWAUVKHJUWRPST-GFCCVEGCSA-N 0 0 319.365 0.027 10 0 DCAERN COc1c(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)nn1C ZINC000112273440 194448630 /nfs/dbraw/zinc/44/86/30/194448630.db2.gz VZLXZWXXVFAYRQ-LLVKDONJSA-N 0 0 318.381 0.885 10 0 DCAERN CCN(CC)C(=O)Cn1c2cccnc2n2c(C)nnc2c1=O ZINC000065173019 184313551 /nfs/dbraw/zinc/31/35/51/184313551.db2.gz VIRILHXVVHENOP-UHFFFAOYSA-N 0 0 314.349 0.616 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1 ZINC000067332935 184460877 /nfs/dbraw/zinc/46/08/77/184460877.db2.gz SWOVOAGGWYEUJU-CHWSQXEVSA-N 0 0 303.362 0.081 10 0 DCAERN COCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C ZINC000177610734 532950833 /nfs/dbraw/zinc/95/08/33/532950833.db2.gz WXLNCARIDUZXOM-CHWSQXEVSA-N 0 0 324.425 0.112 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CO)CC1CCCCC1 ZINC000333112520 252682323 /nfs/dbraw/zinc/68/23/23/252682323.db2.gz FIBCIENOCUACGB-QLFBSQMISA-N 0 0 312.410 0.416 10 0 DCAERN C[C@@H]1OCC[C@]12CN(S(=O)(=O)[C@@H]1CCCOC1)C[C@@H](C)O2 ZINC000333282027 252701449 /nfs/dbraw/zinc/70/14/49/252701449.db2.gz JSXOYDDZYRPFSS-RQJABVFESA-N 0 0 319.423 0.764 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333157336 252687917 /nfs/dbraw/zinc/68/79/17/252687917.db2.gz LIRUXXVDIXIORD-KXNHARMFSA-N 0 0 322.452 0.258 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)N(C(C)=O)C1 ZINC000333203500 252693150 /nfs/dbraw/zinc/69/31/50/252693150.db2.gz OEBABUMORLHGHO-JYYAWHABSA-N 0 0 324.421 0.776 10 0 DCAERN CC(=O)N1CCN(CCNc2cnc3c(n2)CCCC3)CC1 ZINC000333511404 252732087 /nfs/dbraw/zinc/73/20/87/252732087.db2.gz JDOMTTGAUCNZQN-UHFFFAOYSA-N 0 0 303.410 0.931 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCNC[C@H]1c1ccncc1 ZINC000333842602 252769216 /nfs/dbraw/zinc/76/92/16/252769216.db2.gz LNXJDXNNOIOCGX-KBPBESRZSA-N 0 0 311.407 0.537 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](F)C3)C2=O)n(C)n1 ZINC000333997316 252781848 /nfs/dbraw/zinc/78/18/48/252781848.db2.gz OSWBODGNQMGYOI-RYUDHWBXSA-N 0 0 323.372 0.977 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000131040003 545789365 /nfs/dbraw/zinc/78/93/65/545789365.db2.gz KJSRBVXILLXJSY-LBPRGKRZSA-N 0 0 318.439 0.922 10 0 DCAERN COC[C@H](C)n1ccc(NC(=O)CNC(=O)c2ccccn2)n1 ZINC000187508653 533014513 /nfs/dbraw/zinc/01/45/13/533014513.db2.gz GTLABXSGICFSGD-NSHDSACASA-N 0 0 317.349 0.854 10 0 DCAERN CNC(=O)c1cccc(CCC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000337694409 252884478 /nfs/dbraw/zinc/88/44/78/252884478.db2.gz AGCJJBAWVKJVJQ-BXUZGUMPSA-N 0 0 317.389 0.762 10 0 DCAERN COc1ccc(C(=O)CCC(=O)N2CCNC(=O)C2)cc1OC ZINC000337846083 252897640 /nfs/dbraw/zinc/89/76/40/252897640.db2.gz DANCIPOOZSPUFT-UHFFFAOYSA-N 0 0 320.345 0.625 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000408051024 296364313 /nfs/dbraw/zinc/36/43/13/296364313.db2.gz HMBAABSIUBIXFS-LXTVHRRPSA-N 0 0 324.421 0.633 10 0 DCAERN CC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000339741793 253136224 /nfs/dbraw/zinc/13/62/24/253136224.db2.gz AAYCVOLEBVEGOL-NWDGAFQWSA-N 0 0 309.410 0.761 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000341145834 253350205 /nfs/dbraw/zinc/35/02/05/253350205.db2.gz SAVOLTGVAKETDA-VXGBXAGGSA-N 0 0 311.382 0.590 10 0 DCAERN CNc1nc(C)cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000286533200 219040241 /nfs/dbraw/zinc/04/02/41/219040241.db2.gz VYWPCACQUIPPHK-CHWSQXEVSA-N 0 0 305.382 0.372 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)N[C@H]1CCC(=O)NC1=O ZINC000272882911 210273031 /nfs/dbraw/zinc/27/30/31/210273031.db2.gz XBPDIQYWNMGRJR-NSHDSACASA-N 0 0 303.318 0.938 10 0 DCAERN C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)C1CCCC1 ZINC000175784747 533105318 /nfs/dbraw/zinc/10/53/18/533105318.db2.gz YDGBIEBFTFZJEM-UKRRQHHQSA-N 0 0 313.442 0.900 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)COc1c(C)nn(C)c1C ZINC000344643234 253811217 /nfs/dbraw/zinc/81/12/17/253811217.db2.gz FSBOQSMHQFIHBF-QWHCGFSZSA-N 0 0 311.382 0.678 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000177407669 220453931 /nfs/dbraw/zinc/45/39/31/220453931.db2.gz RERLSIMTHQMSEO-LBPRGKRZSA-N 0 0 317.349 0.318 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1cccc(COC)c1)C(C)C ZINC000178923452 220455458 /nfs/dbraw/zinc/45/54/58/220455458.db2.gz VWEKEWQDRWKAAG-CYBMUJFWSA-N 0 0 314.407 0.882 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000347797586 254191618 /nfs/dbraw/zinc/19/16/18/254191618.db2.gz NUMHAIDTZKBHMR-GFCCVEGCSA-N 0 0 319.361 0.855 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](CO)CN1CCOCC1 ZINC000351484111 254338205 /nfs/dbraw/zinc/33/82/05/254338205.db2.gz QOMBMPCCOWIRSF-UKRRQHHQSA-N 0 0 314.426 0.581 10 0 DCAERN C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000350616061 254318994 /nfs/dbraw/zinc/31/89/94/254318994.db2.gz NEDPXUBHOSOYFD-RKDXNWHRSA-N 0 0 320.798 0.901 10 0 DCAERN Cc1cc(Cl)ccc1OCC(=O)NC[C@H](C)S(N)(=O)=O ZINC000350615742 254319047 /nfs/dbraw/zinc/31/90/47/254319047.db2.gz JNLVUEPILBOIEG-VIFPVBQESA-N 0 0 320.798 0.820 10 0 DCAERN C[C@@H](CNC(=O)c1ccccc1Br)S(N)(=O)=O ZINC000350621415 254320089 /nfs/dbraw/zinc/32/00/89/254320089.db2.gz RHDFDBULAFBLKP-ZETCQYMHSA-N 0 0 321.196 0.856 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1cccc(F)c1)S(N)(=O)=O ZINC000350622284 254320200 /nfs/dbraw/zinc/32/02/00/254320200.db2.gz ZAHRTIJNXDOUHJ-BDAKNGLRSA-N 0 0 304.343 0.386 10 0 DCAERN COc1cccc(CCC(=O)NC[C@H](C)S(N)(=O)=O)c1 ZINC000350627054 254320618 /nfs/dbraw/zinc/32/06/18/254320618.db2.gz CFMMFTBWUSLMLX-JTQLQIEISA-N 0 0 300.380 0.421 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1cccc(Cl)c1)S(N)(=O)=O ZINC000350627773 254321323 /nfs/dbraw/zinc/32/13/23/254321323.db2.gz FUVUTFFNDUGNDL-BDAKNGLRSA-N 0 0 320.798 0.901 10 0 DCAERN C/C=C\C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000351608843 254352162 /nfs/dbraw/zinc/35/21/62/254352162.db2.gz OQBHJLTUGHLFLB-VSQXVHSFSA-N 0 0 312.391 0.652 10 0 DCAERN COC(=O)[C@@]12CCC[C@@H]1CN(c1nn3c(nccc3=O)s1)C2 ZINC000302150116 533153630 /nfs/dbraw/zinc/15/36/30/533153630.db2.gz HLJKPNCMKMAFAO-YMTOWFKASA-N 0 0 320.374 0.931 10 0 DCAERN COCCO[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC000187998899 533193260 /nfs/dbraw/zinc/19/32/60/533193260.db2.gz CICIZOXNICZASG-KBPBESRZSA-N 0 0 312.410 0.897 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)CC[C@H]2C)C1 ZINC000249380091 285265889 /nfs/dbraw/zinc/26/58/89/285265889.db2.gz UZOGQPILKBHBRW-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1[C@H]1COc2ccc(F)cc2C1 ZINC000288788072 296424346 /nfs/dbraw/zinc/42/43/46/296424346.db2.gz XIZBDNZFXGKZMR-DYEKYZERSA-N 0 0 320.320 0.917 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Cc3cccs3)C[C@H]2N1C ZINC000248050531 257109056 /nfs/dbraw/zinc/10/90/56/257109056.db2.gz QYNWTSZTJIPHDG-WCFLWFBJSA-N 0 0 307.419 0.568 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@H]2N1C ZINC000248000438 257112209 /nfs/dbraw/zinc/11/22/09/257112209.db2.gz AGCLHMQMFPXQQI-SOUVJXGZSA-N 0 0 301.390 0.506 10 0 DCAERN CNC(=O)C[C@@H]1CN(C(=O)c2ccncn2)Cc2ccnn21 ZINC000247968689 257112541 /nfs/dbraw/zinc/11/25/41/257112541.db2.gz TYXBMOBAIWIIDA-LLVKDONJSA-N 0 0 300.322 0.006 10 0 DCAERN CCCS(=O)(=O)N1CC[C@@H]2OCC[C@]2(c2nc(C)no2)C1 ZINC000247995543 257113542 /nfs/dbraw/zinc/11/35/42/257113542.db2.gz CYBPLLGUPYVRIR-AAEUAGOBSA-N 0 0 315.395 0.850 10 0 DCAERN CC(=O)N1CCO[C@H]2CN(C(=O)Cc3ccccn3)CC[C@H]2C1 ZINC000247944240 257114163 /nfs/dbraw/zinc/11/41/63/257114163.db2.gz OLCPOTHXDQMTJF-HOCLYGCPSA-N 0 0 317.389 0.720 10 0 DCAERN COc1cc(N2C[C@H]3COC[C@@]3(CC(=O)N(C)C)C2)ncn1 ZINC000247945428 257114164 /nfs/dbraw/zinc/11/41/64/257114164.db2.gz AUUIBGSORZHNPC-XHDPSFHLSA-N 0 0 306.366 0.416 10 0 DCAERN CC(=O)N1CCO[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2C1 ZINC000247942998 257114263 /nfs/dbraw/zinc/11/42/63/257114263.db2.gz NVHIZXXWBLHDJF-GJZGRUSLSA-N 0 0 310.394 0.509 10 0 DCAERN COCC(=O)NC[C@@]12COC[C@@H]1CN(Cc1nccs1)C2 ZINC000247815626 257117236 /nfs/dbraw/zinc/11/72/36/257117236.db2.gz FURPXIOSFRDEEL-SMDDNHRTSA-N 0 0 311.407 0.354 10 0 DCAERN O=C([C@@H]1CCCO1)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC000247787831 257117260 /nfs/dbraw/zinc/11/72/60/257117260.db2.gz ADRYHRCSXUITHW-ZNMIVQPWSA-N 0 0 315.373 0.962 10 0 DCAERN CS(=O)(=O)NC[C@H]1Cn2nccc2CN(Cc2ccco2)C1 ZINC000247520188 257118908 /nfs/dbraw/zinc/11/89/08/257118908.db2.gz LGPWRRPVRSYYRR-GFCCVEGCSA-N 0 0 324.406 0.657 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000247557499 257119215 /nfs/dbraw/zinc/11/92/15/257119215.db2.gz XVKBLPZVJLVCRI-LBPRGKRZSA-N 0 0 314.407 0.810 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CO[C@H]2CN(Cc3ccco3)C[C@@H]12 ZINC000247496699 257119805 /nfs/dbraw/zinc/11/98/05/257119805.db2.gz DFZYZQBNFIOADX-WXHSDQCUSA-N 0 0 300.380 0.276 10 0 DCAERN Cn1cc(CN2CCO[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)cn1 ZINC000503717007 257209290 /nfs/dbraw/zinc/20/92/90/257209290.db2.gz KSBUOXARUATMJN-UONOGXRCSA-N 0 0 318.356 0.439 10 0 DCAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000521396656 257240082 /nfs/dbraw/zinc/24/00/82/257240082.db2.gz BWDCEALEUBHILD-RVMXOQNASA-N 0 0 318.439 0.181 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000188315307 533270930 /nfs/dbraw/zinc/27/09/30/533270930.db2.gz AWQRSKRZJOXDRF-ZDUSSCGKSA-N 0 0 322.471 0.520 10 0 DCAERN COc1cccc(OCC(=O)N2CCN(CCO)[C@@H](C)C2)c1 ZINC000188718662 533637247 /nfs/dbraw/zinc/63/72/47/533637247.db2.gz MEKDBDFXICHQKM-ZDUSSCGKSA-N 0 0 308.378 0.599 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000275390069 130313120 /nfs/dbraw/zinc/31/31/20/130313120.db2.gz ZYFHALRDVOPKGQ-NSHDSACASA-N 0 0 321.381 0.401 10 0 DCAERN CC(=O)N1CCN(C(=O)c2cnc(OCC3CC3)cn2)[C@H](C)C1 ZINC000283803606 131024984 /nfs/dbraw/zinc/02/49/84/131024984.db2.gz BGMSLOAFQIYXMC-LLVKDONJSA-N 0 0 318.377 0.958 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284005512 131040279 /nfs/dbraw/zinc/04/02/79/131040279.db2.gz MSRADTGWEOLJMG-KGLIPLIRSA-N 0 0 320.393 0.705 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)NCCc3cccnc3)C[C@H]21 ZINC000284214091 131060588 /nfs/dbraw/zinc/06/05/88/131060588.db2.gz ZRLKFGGLBZBCLI-HUUCEWRRSA-N 0 0 304.394 0.739 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CC(C)(C)O1 ZINC000284332769 131070317 /nfs/dbraw/zinc/07/03/17/131070317.db2.gz AOTHNVAEJBEGIW-SNVBAGLBSA-N 0 0 303.384 0.235 10 0 DCAERN CC(=O)N1CCN(CCc2c(C)nc3ccccn3c2=O)CC1 ZINC000284362283 131073890 /nfs/dbraw/zinc/07/38/90/131073890.db2.gz SWDLKRUYTGNYIV-UHFFFAOYSA-N 0 0 314.389 0.710 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(-n3cccn3)cc2)C1 ZINC000284493515 131086603 /nfs/dbraw/zinc/08/66/03/131086603.db2.gz GOBFQVBIFDVVJP-GJZGRUSLSA-N 0 0 300.362 0.947 10 0 DCAERN COc1ccc(CCC(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc1 ZINC000284635748 131098911 /nfs/dbraw/zinc/09/89/11/131098911.db2.gz QOQRRPTVPVFWQU-KBPBESRZSA-N 0 0 306.362 0.729 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@@H]2C(N)=O)cn1 ZINC000284647306 131099742 /nfs/dbraw/zinc/09/97/42/131099742.db2.gz SEMXUUNQBUHWSZ-AGIUHOORSA-N 0 0 306.366 0.017 10 0 DCAERN Cc1noc([C@@H]2CN(C(=O)c3ncccc3O)CCN2C)n1 ZINC000284782615 131110766 /nfs/dbraw/zinc/11/07/66/131110766.db2.gz YHWXBVMIFMGEPQ-JTQLQIEISA-N 0 0 303.322 0.608 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3ncccc3O)CCN2C)n1 ZINC000284782619 131110942 /nfs/dbraw/zinc/11/09/42/131110942.db2.gz YHWXBVMIFMGEPQ-SNVBAGLBSA-N 0 0 303.322 0.608 10 0 DCAERN Cc1cccc(F)c1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284837822 131115512 /nfs/dbraw/zinc/11/55/12/131115512.db2.gz WKKOXGANCJYCLV-KOLCDFICSA-N 0 0 316.354 0.397 10 0 DCAERN COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)ccc1F ZINC000284862163 131117512 /nfs/dbraw/zinc/11/75/12/131117512.db2.gz YCWOWACYADJIQP-PSASIEDQSA-N 0 0 316.354 0.576 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)Cc2scnc2C)C1 ZINC000284907685 131121189 /nfs/dbraw/zinc/12/11/89/131121189.db2.gz OQRKWUDOSNFBHA-AWEZNQCLSA-N 0 0 311.407 0.783 10 0 DCAERN Cc1nccc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 ZINC000284955111 131126334 /nfs/dbraw/zinc/12/63/34/131126334.db2.gz JWEQNDXUVMLBGV-ZDUSSCGKSA-N 0 0 322.409 0.874 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000285087057 131136561 /nfs/dbraw/zinc/13/65/61/131136561.db2.gz PRCHSYLXSZUUSF-RYUDHWBXSA-N 0 0 316.354 0.230 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC000285139383 131142029 /nfs/dbraw/zinc/14/20/29/131142029.db2.gz YEQNFGJANUBYQR-NSHDSACASA-N 0 0 304.350 0.603 10 0 DCAERN COC[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)CC(C)(C)O1 ZINC000285396063 131164615 /nfs/dbraw/zinc/16/46/15/131164615.db2.gz FPHRDCFYQWLART-NSHDSACASA-N 0 0 319.365 0.629 10 0 DCAERN CCc1ccc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000121317358 132153688 /nfs/dbraw/zinc/15/36/88/132153688.db2.gz MRAZPMMQIXEHGV-CQSZACIVSA-N 0 0 310.419 0.942 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000121828396 132159491 /nfs/dbraw/zinc/15/94/91/132159491.db2.gz HELAITLWNMTYRV-UTUOFQBUSA-N 0 0 303.428 0.898 10 0 DCAERN C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccnn2C)C1=O ZINC000030650992 134676715 /nfs/dbraw/zinc/67/67/15/134676715.db2.gz CRTCLDLHPYGYHR-LLVKDONJSA-N 0 0 314.345 0.850 10 0 DCAERN NC(=O)[C@@H](O)C1CCN(c2ncncc2Br)CC1 ZINC000299741449 134743615 /nfs/dbraw/zinc/74/36/15/134743615.db2.gz DXSHSZYOLSNMSU-VIFPVBQESA-N 0 0 315.171 0.302 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1 ZINC000151594400 545818688 /nfs/dbraw/zinc/81/86/88/545818688.db2.gz BWCDUIBGTYWTNY-CHWSQXEVSA-N 0 0 307.398 0.925 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@@H]1C ZINC000261680319 292037712 /nfs/dbraw/zinc/03/77/12/292037712.db2.gz LQCIZZYIUPXVBJ-JGVFFNPUSA-N 0 0 319.408 0.206 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000120021694 285634846 /nfs/dbraw/zinc/63/48/46/285634846.db2.gz ZEYCPMCEQNDSHJ-CHWSQXEVSA-N 0 0 312.410 0.755 10 0 DCAERN COc1cc([C@H](O)c2cnc(N)nc2N)cc(OC)c1OC ZINC000013760479 395688937 /nfs/dbraw/zinc/68/89/37/395688937.db2.gz ZQRSRBQVQNNQKD-NSHDSACASA-N 0 0 306.322 0.749 10 0 DCAERN OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O ZINC000015205831 395689860 /nfs/dbraw/zinc/68/98/60/395689860.db2.gz MWHKPYATGMFFPI-OXGONZEZSA-N 0 0 306.314 0.019 10 0 DCAERN Cn1cnc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1Cl ZINC000085985533 395702484 /nfs/dbraw/zinc/70/24/84/395702484.db2.gz OCUDNQQPZAPZCB-RKDXNWHRSA-N 0 0 307.803 0.903 10 0 DCAERN CCOC(=O)C1=C(N)C(=O)N(C2CCCCC2)[C@H]1C(=O)OCC ZINC000032105578 395709579 /nfs/dbraw/zinc/70/95/79/395709579.db2.gz KCAWLGVFEVLIBL-CYBMUJFWSA-N 0 0 324.377 0.869 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@@H](O)C1)N1CCCS1(=O)=O ZINC000089403249 395710868 /nfs/dbraw/zinc/71/08/68/395710868.db2.gz BCUYZCSDJXEFFZ-FRRDWIJNSA-N 0 0 318.439 0.276 10 0 DCAERN Cc1cccc2c(=O)n(CC(=O)N3CC[C@H](C)[C@H](O)C3)cnc12 ZINC000089400671 395710908 /nfs/dbraw/zinc/71/09/08/395710908.db2.gz LGGMEZKUZBFCCL-SMDDNHRTSA-N 0 0 315.373 0.934 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C[C@@H]1O ZINC000089423962 395711751 /nfs/dbraw/zinc/71/17/51/395711751.db2.gz STBJAUUSVISXEM-BZPMIXESSA-N 0 0 306.362 0.857 10 0 DCAERN Cc1ccc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1O ZINC000089442298 395712099 /nfs/dbraw/zinc/71/20/99/395712099.db2.gz ZWRXTFBITNSNJN-LBPRGKRZSA-N 0 0 312.391 0.393 10 0 DCAERN C[C@@]1(C(=O)N2CCN(C(=O)CO)CC2)CCCc2ccccc21 ZINC000089549105 395712827 /nfs/dbraw/zinc/71/28/27/395712827.db2.gz YQNQAMBEQWCXCL-GOSISDBHSA-N 0 0 316.401 0.944 10 0 DCAERN C[C@]1(C(=O)N2CCN(C(=O)CO)CC2)CCCc2ccccc21 ZINC000089549103 395713070 /nfs/dbraw/zinc/71/30/70/395713070.db2.gz YQNQAMBEQWCXCL-SFHVURJKSA-N 0 0 316.401 0.944 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccccc1Br ZINC000089754165 395714492 /nfs/dbraw/zinc/71/44/92/395714492.db2.gz WJOTXXQZTRKIBF-VIFPVBQESA-N 0 0 311.135 0.984 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F ZINC000033687528 395717718 /nfs/dbraw/zinc/71/77/18/395717718.db2.gz RCRKHCVABNUFON-JTQLQIEISA-N 0 0 304.318 0.864 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000084768810 395699583 /nfs/dbraw/zinc/69/95/83/395699583.db2.gz XPFOWHQNWUKUSN-NXEZZACHSA-N 0 0 316.379 0.578 10 0 DCAERN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1C ZINC000096141181 395746047 /nfs/dbraw/zinc/74/60/47/395746047.db2.gz UEDVECDIAOVHMR-OCCSQVGLSA-N 0 0 306.410 0.994 10 0 DCAERN CC1(C)O[C@@H]2[C@@H](O1)[C@@H]1O[C@H]2n2c3ncnc(N)c3nc2C1=O ZINC000043771717 395754331 /nfs/dbraw/zinc/75/43/31/395754331.db2.gz PMBIEZSWQVXOIC-BSFVXNEUSA-N 0 0 303.278 0.022 10 0 DCAERN Cc1csc(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000043273124 395752171 /nfs/dbraw/zinc/75/21/71/395752171.db2.gz UBYLAQFDRIALPE-NXEZZACHSA-N 0 0 305.425 0.895 10 0 DCAERN CCc1nc(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)cs1 ZINC000193907811 395781697 /nfs/dbraw/zinc/78/16/97/395781697.db2.gz QMBKXAZZSFAWLB-QMMMGPOBSA-N 0 0 305.425 0.602 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000194082269 395787704 /nfs/dbraw/zinc/78/77/04/395787704.db2.gz KIPOHVCSYANOPV-KOLCDFICSA-N 0 0 315.337 0.308 10 0 DCAERN O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1nncs1 ZINC000047163255 395788254 /nfs/dbraw/zinc/78/82/54/395788254.db2.gz BGAVSVLPZRHDFZ-UHFFFAOYSA-N 0 0 317.330 0.956 10 0 DCAERN Cc1cc2c(cc1CN1CC[NH2+]C[C@@H](C(=O)[O-])C1)OCCO2 ZINC000097547566 395758749 /nfs/dbraw/zinc/75/87/49/395758749.db2.gz CTUPRXFJHMRQAG-CYBMUJFWSA-N 0 0 306.362 0.872 10 0 DCAERN Cn1nccc1CNC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000045697221 395765212 /nfs/dbraw/zinc/76/52/12/395765212.db2.gz ZHKYKIAXAOIVAE-UHFFFAOYSA-N 0 0 303.322 0.606 10 0 DCAERN NC(=O)NC(=O)CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101918288 395768138 /nfs/dbraw/zinc/76/81/38/395768138.db2.gz CAGNSSASXLAQOD-UHFFFAOYSA-N 0 0 322.340 0.671 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H](CO)Cc2ccccc2)n1 ZINC000102034919 395768681 /nfs/dbraw/zinc/76/86/81/395768681.db2.gz JTSRQSJPSJNGDG-CYBMUJFWSA-N 0 0 304.350 0.823 10 0 DCAERN CC(C)(C)NC(=O)CS(=O)(=O)Cc1cccc(C(N)=O)c1 ZINC000046179777 395772513 /nfs/dbraw/zinc/77/25/13/395772513.db2.gz MSDGVKLHSLERAJ-UHFFFAOYSA-N 0 0 312.391 0.615 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194637426 395803465 /nfs/dbraw/zinc/80/34/65/395803465.db2.gz HGZQNWBGESJDMD-OCCSQVGLSA-N 0 0 320.393 0.643 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000194650760 395803665 /nfs/dbraw/zinc/80/36/65/395803665.db2.gz VMFKDFPCYHZQQF-UHFFFAOYSA-N 0 0 308.382 0.564 10 0 DCAERN Cn1ccnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000111241493 395804118 /nfs/dbraw/zinc/80/41/18/395804118.db2.gz YAQZNFKVGOFKKV-UHFFFAOYSA-N 0 0 319.453 0.796 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(=O)c1 ZINC000194746906 395806433 /nfs/dbraw/zinc/80/64/33/395806433.db2.gz AMNJHWKHFDHSFX-LBPRGKRZSA-N 0 0 304.268 0.682 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@H](N3CCOCC3)C2)c(=O)c1 ZINC000194763918 395807984 /nfs/dbraw/zinc/80/79/84/395807984.db2.gz BVBUFBULSDYLED-AWEZNQCLSA-N 0 0 305.378 0.090 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000194795869 395808032 /nfs/dbraw/zinc/80/80/32/395808032.db2.gz PXFMFPYWJMKGTF-RKDXNWHRSA-N 0 0 308.363 0.209 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)NCC(=O)N1CCCC1 ZINC000048415541 395814877 /nfs/dbraw/zinc/81/48/77/395814877.db2.gz JGRCGNYXPVFORV-LBPRGKRZSA-N 0 0 305.382 0.719 10 0 DCAERN Cc1c(C(=O)N[C@@H]2CCc3ncnn3C2)cnn1-c1ccccn1 ZINC000112647146 395820003 /nfs/dbraw/zinc/82/00/03/395820003.db2.gz VJBGFKZVSVVEBP-GFCCVEGCSA-N 0 0 323.360 0.912 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2c[nH]nc2C)cc1 ZINC000195295419 395823921 /nfs/dbraw/zinc/82/39/21/395823921.db2.gz BCJAPBCIQJESAC-UHFFFAOYSA-N 0 0 302.334 0.773 10 0 DCAERN C[C@H](NC(=O)CN1CCC[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000195339884 395825471 /nfs/dbraw/zinc/82/54/71/395825471.db2.gz JIMRKLAOLGKPAS-RYUDHWBXSA-N 0 0 324.450 0.915 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCCc1ccc(Cl)s1 ZINC000049010933 395826082 /nfs/dbraw/zinc/82/60/82/395826082.db2.gz RNBLQOSFQDUVQA-ZETCQYMHSA-N 0 0 301.755 0.658 10 0 DCAERN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N(C)C1CC1 ZINC000112976192 395826466 /nfs/dbraw/zinc/82/64/66/395826466.db2.gz DVRAJCIZAFPINK-JTQLQIEISA-N 0 0 323.418 0.706 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC ZINC000049498997 395832624 /nfs/dbraw/zinc/83/26/24/395832624.db2.gz LHTOHNZFHJXELT-LURJTMIESA-N 0 0 319.335 0.523 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526735 395835588 /nfs/dbraw/zinc/83/55/88/395835588.db2.gz CHOWQQZGBDQFHU-HOCLYGCPSA-N 0 0 307.394 0.524 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccccc2)C1 ZINC000114526732 395835720 /nfs/dbraw/zinc/83/57/20/395835720.db2.gz CHOWQQZGBDQFHU-ZBFHGGJFSA-N 0 0 307.394 0.524 10 0 DCAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115706 395860204 /nfs/dbraw/zinc/86/02/04/395860204.db2.gz WBBOVOSUIQZTKO-JTQLQIEISA-N 0 0 311.769 0.725 10 0 DCAERN Cn1ncc(-n2ccc(I)n2)cc1=O ZINC000217747594 395840711 /nfs/dbraw/zinc/84/07/11/395840711.db2.gz SCBSYJGUWZTFIS-UHFFFAOYSA-N 0 0 302.075 0.571 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCCCNC3=O)C2)cn1 ZINC000116425592 395844086 /nfs/dbraw/zinc/84/40/86/395844086.db2.gz PTYSOGMZRNFGKE-AAEUAGOBSA-N 0 0 305.382 0.588 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)NCCNC(=O)C3CC3)C2)cn1 ZINC000116420840 395844101 /nfs/dbraw/zinc/84/41/01/395844101.db2.gz YBTLUCNQQCGJLJ-GFCCVEGCSA-N 0 0 305.382 0.445 10 0 DCAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000118115704 395860651 /nfs/dbraw/zinc/86/06/51/395860651.db2.gz WBBOVOSUIQZTKO-SNVBAGLBSA-N 0 0 311.769 0.725 10 0 DCAERN COCCN1CCN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1C ZINC000117294020 395852227 /nfs/dbraw/zinc/85/22/27/395852227.db2.gz UNBLEEKZHXYEAQ-LBPRGKRZSA-N 0 0 320.393 0.970 10 0 DCAERN COCCN1CCN(C(=O)C(=O)Nc2cnccc2C)C[C@H]1C ZINC000117522737 395853110 /nfs/dbraw/zinc/85/31/10/395853110.db2.gz VEKBZQWGSDUGGS-CYBMUJFWSA-N 0 0 320.393 0.508 10 0 DCAERN Cc1cnn(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)c1 ZINC000117815187 395855214 /nfs/dbraw/zinc/85/52/14/395855214.db2.gz DYRSJYRUTFWTGC-UHFFFAOYSA-N 0 0 311.349 0.526 10 0 DCAERN CS(=O)(=O)CCCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000108706683 395792772 /nfs/dbraw/zinc/79/27/72/395792772.db2.gz KZBDFENYMSGXGI-LBPRGKRZSA-N 0 0 310.375 0.254 10 0 DCAERN CCCn1nccc1NC(=O)NCCS(=O)(=O)NC(C)C ZINC000194445906 395797341 /nfs/dbraw/zinc/79/73/41/395797341.db2.gz RJGCQGKILTWOCN-UHFFFAOYSA-N 0 0 317.415 0.742 10 0 DCAERN CS(=O)(=O)NCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000194551004 395799645 /nfs/dbraw/zinc/79/96/45/395799645.db2.gz COUIHUGBACMZDF-UHFFFAOYSA-N 0 0 300.424 0.867 10 0 DCAERN COCCOc1cccc(C(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000194604104 395800442 /nfs/dbraw/zinc/80/04/42/395800442.db2.gz QWFAIPGIEOHRBN-HNNXBMFYSA-N 0 0 308.378 0.772 10 0 DCAERN O=C(CCNC(=O)N1CCc2ccccc2C1)N1CC(CO)C1 ZINC000122509561 395887110 /nfs/dbraw/zinc/88/71/10/395887110.db2.gz LYWJGCLOZDTOFU-UHFFFAOYSA-N 0 0 317.389 0.595 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCn1ccnc1 ZINC000234617138 395890226 /nfs/dbraw/zinc/89/02/26/395890226.db2.gz ZIZYLYJIWFHPIB-GHMZBOCLSA-N 0 0 301.368 0.144 10 0 DCAERN Cn1cc(Cn2cncc(I)c2=O)nn1 ZINC000236093176 395893608 /nfs/dbraw/zinc/89/36/08/395893608.db2.gz VVTKGOUSILIVGK-UHFFFAOYSA-N 0 0 317.090 0.025 10 0 DCAERN COC(=O)[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H](C)O1 ZINC000123354649 395893820 /nfs/dbraw/zinc/89/38/20/395893820.db2.gz WGEFQPBXWVWEOU-PWSUYJOCSA-N 0 0 312.391 0.627 10 0 DCAERN Cn1nccc1CNC(=O)Nc1cccnc1N1CCOCC1 ZINC000054483423 395901095 /nfs/dbraw/zinc/90/10/95/395901095.db2.gz MSWVRSDPSFTXHT-UHFFFAOYSA-N 0 0 316.365 0.973 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125523007 395903764 /nfs/dbraw/zinc/90/37/64/395903764.db2.gz PGLRPJAZTXJIAM-IAQYHMDHSA-N 0 0 317.389 0.994 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000054769613 395905155 /nfs/dbraw/zinc/90/51/55/395905155.db2.gz SAHWRPVMAHSQNK-PWSUYJOCSA-N 0 0 312.391 0.938 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](Cn3cccn3)C2)CCO1 ZINC000271420911 395865080 /nfs/dbraw/zinc/86/50/80/395865080.db2.gz ZJOZAVXHBWOWLM-MGPQQGTHSA-N 0 0 308.382 0.861 10 0 DCAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](O)C(N)=O ZINC000227869894 395870620 /nfs/dbraw/zinc/87/06/20/395870620.db2.gz FTZROYMRVSYYCM-IMTBSYHQSA-N 0 0 321.160 0.723 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)C2=NN(C)C(=O)CC2)n[nH]1 ZINC000119894454 395878238 /nfs/dbraw/zinc/87/82/38/395878238.db2.gz GQKUBFAQQJTNKC-UHFFFAOYSA-N 0 0 301.310 0.357 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@H]1CSC(=O)N1 ZINC000245887054 395937323 /nfs/dbraw/zinc/93/73/23/395937323.db2.gz XVZTTZBMSYOPLY-WCBMZHEXSA-N 0 0 310.354 0.741 10 0 DCAERN O=C(NC[C@@H]1COCCO1)NC1CCN(c2ccccn2)CC1 ZINC000057080356 395938955 /nfs/dbraw/zinc/93/89/55/395938955.db2.gz CQHNJOWCOWCGTR-CQSZACIVSA-N 0 0 320.393 0.765 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000136574729 395947527 /nfs/dbraw/zinc/94/75/27/395947527.db2.gz RIDWFZMAPQUYIZ-JHJVBQTASA-N 0 0 308.378 0.703 10 0 DCAERN OC[C@@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)ncn1 ZINC000274434503 395947633 /nfs/dbraw/zinc/94/76/33/395947633.db2.gz SNNVDJQLFVQELR-XJKSGUPXSA-N 0 0 320.393 0.433 10 0 DCAERN C[C@@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H](C)CO ZINC000246420577 395949508 /nfs/dbraw/zinc/94/95/08/395949508.db2.gz ALTWWUXXWSZRLU-GYSYKLTISA-N 0 0 318.373 0.639 10 0 DCAERN CN1CCO[C@H](CNC(=O)N[C@@H](CO)Cc2ccccc2)C1 ZINC000246465742 395951057 /nfs/dbraw/zinc/95/10/57/395951057.db2.gz PZMQUPKJWXPKME-HUUCEWRRSA-N 0 0 307.394 0.220 10 0 DCAERN CCc1cc(=O)[nH]c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000246638490 395955344 /nfs/dbraw/zinc/95/53/44/395955344.db2.gz OQAPFFUCJQUCTL-OCCSQVGLSA-N 0 0 306.410 0.897 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2nccc(OC)n2)CC1 ZINC000140241397 395955964 /nfs/dbraw/zinc/95/59/64/395955964.db2.gz WLIDLURNPWNGGU-CHWSQXEVSA-N 0 0 321.425 0.910 10 0 DCAERN C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)c2ccccc2NC1=O ZINC000246938061 395961731 /nfs/dbraw/zinc/96/17/31/395961731.db2.gz UBKZTAFMTWTEOU-KGLIPLIRSA-N 0 0 319.405 0.774 10 0 DCAERN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@H](C)CO ZINC000247007985 395963505 /nfs/dbraw/zinc/96/35/05/395963505.db2.gz ZBIPQYYRZJLCIU-UTLUCORTSA-N 0 0 320.436 0.548 10 0 DCAERN O=C(Cn1cc(NC(=O)[C@@H]2CNC(=O)C2)cn1)NC1CCCC1 ZINC000145419702 395963792 /nfs/dbraw/zinc/96/37/92/395963792.db2.gz YMZSUJRHLRHEFJ-JTQLQIEISA-N 0 0 319.365 0.017 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCN1CCCC[C@H]1C ZINC000247154636 395967809 /nfs/dbraw/zinc/96/78/09/395967809.db2.gz KFJITRCSFGXMOX-CHWSQXEVSA-N 0 0 319.471 0.983 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247139757 395968188 /nfs/dbraw/zinc/96/81/88/395968188.db2.gz XDJFTFKSTHPRCP-RWMBFGLXSA-N 0 0 306.428 0.841 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247246647 395970738 /nfs/dbraw/zinc/97/07/38/395970738.db2.gz NJFZWCHVDKSVRR-RYUDHWBXSA-N 0 0 303.428 0.299 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000247272884 395970795 /nfs/dbraw/zinc/97/07/95/395970795.db2.gz YFIGCSOOGHZRBQ-UHOFOFEASA-N 0 0 319.405 0.665 10 0 DCAERN CCOc1ncccc1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150737898 395971967 /nfs/dbraw/zinc/97/19/67/395971967.db2.gz IEHVRZMNJFKEOW-UHFFFAOYSA-N 0 0 304.306 0.130 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCO[C@@H]1CCOC1 ZINC000150764607 395972909 /nfs/dbraw/zinc/97/29/09/395972909.db2.gz MAXMQRKOUXTORF-GFCCVEGCSA-N 0 0 319.361 0.641 10 0 DCAERN COC(=O)C[C@@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000150866763 395973966 /nfs/dbraw/zinc/97/39/66/395973966.db2.gz JCEYHLABXOWRTL-NEPJUHHUSA-N 0 0 308.382 0.704 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC(=O)NC2=O)s1 ZINC000152146511 396001046 /nfs/dbraw/zinc/00/10/46/396001046.db2.gz NFHRCBUZJWHOGZ-VIFPVBQESA-N 0 0 308.359 0.941 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)CC2 ZINC000248962068 396001087 /nfs/dbraw/zinc/00/10/87/396001087.db2.gz REFLBPQRECBJEU-AXFHLTTASA-N 0 0 314.411 0.252 10 0 DCAERN C[C@H]1CN(C[C@H](O)COCc2ccccc2)CCS1(=O)=O ZINC000151052680 395977841 /nfs/dbraw/zinc/97/78/41/395977841.db2.gz JCXOJNPYRWFLJK-ZFWWWQNUSA-N 0 0 313.419 0.683 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151092107 395978945 /nfs/dbraw/zinc/97/89/45/395978945.db2.gz OQDWCNXXLXFXRB-GXTWGEPZSA-N 0 0 316.423 0.176 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC000151236200 395981910 /nfs/dbraw/zinc/98/19/10/395981910.db2.gz XLWPKNIJRZJJNY-SNVBAGLBSA-N 0 0 314.349 0.599 10 0 DCAERN CCCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000248106517 395982082 /nfs/dbraw/zinc/98/20/82/395982082.db2.gz LSOGZGMADVQUNB-ZDUSSCGKSA-N 0 0 317.389 0.990 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151323459 395983661 /nfs/dbraw/zinc/98/36/61/395983661.db2.gz PWDYOOXSSGTRAK-WMLDXEAASA-N 0 0 317.389 0.965 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NCCc1nc(C)c(C)s1 ZINC000151322887 395983813 /nfs/dbraw/zinc/98/38/13/395983813.db2.gz HTGLNABXVPJUTP-UHFFFAOYSA-N 0 0 319.452 0.700 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000275445357 395984819 /nfs/dbraw/zinc/98/48/19/395984819.db2.gz WBVBMZRIXWMYAU-KGLIPLIRSA-N 0 0 321.425 0.465 10 0 DCAERN COc1nccnc1N1CC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC000065268625 395992332 /nfs/dbraw/zinc/99/23/32/395992332.db2.gz BWGGFISUCKVXGV-CYBMUJFWSA-N 0 0 313.361 0.818 10 0 DCAERN O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCCSCC1 ZINC000151853330 395995143 /nfs/dbraw/zinc/99/51/43/395995143.db2.gz POYBTADHURDOAJ-LLVKDONJSA-N 0 0 317.436 0.972 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCC[C@@H]3C)[C@@H]2C1 ZINC000248699781 395995677 /nfs/dbraw/zinc/99/56/77/395995677.db2.gz KSIUXRUKXWBKSQ-DGAVXFQQSA-N 0 0 318.439 0.984 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000248820970 395997816 /nfs/dbraw/zinc/99/78/16/395997816.db2.gz BNWPOMPYFJCGCN-VNHYZAJKSA-N 0 0 323.437 0.790 10 0 DCAERN C[C@@H](NC(=O)CNc1cc(CO)ccc1Cl)C(=O)N(C)C ZINC000153739558 396025897 /nfs/dbraw/zinc/02/58/97/396025897.db2.gz PPMDRMOJERKJSJ-SECBINFHSA-N 0 0 313.785 0.837 10 0 DCAERN CN(C)c1nc(CN2CCN(Cc3ccon3)CC2)ns1 ZINC000153829992 396026160 /nfs/dbraw/zinc/02/61/60/396026160.db2.gz NQTZOIDIHJNNJU-UHFFFAOYSA-N 0 0 308.411 0.910 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000253354600 396026412 /nfs/dbraw/zinc/02/64/12/396026412.db2.gz FADVGNKZMNCUOG-QWRGUYRKSA-N 0 0 314.411 0.743 10 0 DCAERN O=C(NC1CCN(C(=O)[C@H]2COCCN2)CC1)C1CCCCC1 ZINC000153811694 396026394 /nfs/dbraw/zinc/02/63/94/396026394.db2.gz NAUPDHXHJCSFPB-OAHLLOKOSA-N 0 0 323.437 0.662 10 0 DCAERN O=C(NCc1nnc2n1CCCC2)NC[C@@H]1CCCC[C@@H]1O ZINC000153783711 396026496 /nfs/dbraw/zinc/02/64/96/396026496.db2.gz WCBFLXCSQHPGQN-RYUDHWBXSA-N 0 0 307.398 0.965 10 0 DCAERN Cc1cc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)[nH]n1 ZINC000153957368 396028196 /nfs/dbraw/zinc/02/81/96/396028196.db2.gz BIRQCXKOTJNBSY-HNNXBMFYSA-N 0 0 306.410 0.974 10 0 DCAERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCNC(=O)CC1 ZINC000154030666 396029700 /nfs/dbraw/zinc/02/97/00/396029700.db2.gz KXDQHNXFYLQESS-GFCCVEGCSA-N 0 0 309.410 0.810 10 0 DCAERN O=C(CSc1ccccc1)NC[C@H](O)CN1CCOCC1 ZINC000154142128 396032753 /nfs/dbraw/zinc/03/27/53/396032753.db2.gz DMHYMFDVQWECRL-ZDUSSCGKSA-N 0 0 310.419 0.588 10 0 DCAERN NS(=O)(=O)c1cnn(CC(=O)NC/C=C\c2ccccc2)c1 ZINC000255334159 396032844 /nfs/dbraw/zinc/03/28/44/396032844.db2.gz SBMBGYMVUCORRO-DAXSKMNVSA-N 0 0 320.374 0.360 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@](C)(O)c2cccs2)C1 ZINC000154151512 396032942 /nfs/dbraw/zinc/03/29/42/396032942.db2.gz UCMZYYDDJBHACP-FZMZJTMJSA-N 0 0 313.423 0.585 10 0 DCAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)nn1 ZINC000154241886 396034177 /nfs/dbraw/zinc/03/41/77/396034177.db2.gz GDRVWLFUCLRJIN-NSHDSACASA-N 0 0 316.365 0.618 10 0 DCAERN CCc1cnc(N2CCc3nnc(CNC(C)=O)n3CC2)nc1 ZINC000067894903 396038341 /nfs/dbraw/zinc/03/83/41/396038341.db2.gz GCSQJNSIQHYMFP-UHFFFAOYSA-N 0 0 315.381 0.329 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2ccc(N(C)C)cc2)CC1 ZINC000276947054 396038472 /nfs/dbraw/zinc/03/84/72/396038472.db2.gz SZQJSGDWKISTCK-UHFFFAOYSA-N 0 0 311.407 0.605 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)on1 ZINC000154726303 396041028 /nfs/dbraw/zinc/04/10/28/396041028.db2.gz IJKFQSUZRJKGCS-NSHDSACASA-N 0 0 310.379 0.452 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)on1 ZINC000154726403 396041276 /nfs/dbraw/zinc/04/12/76/396041276.db2.gz IJKFQSUZRJKGCS-LLVKDONJSA-N 0 0 310.379 0.452 10 0 DCAERN CN(C(=O)CN1CCS(=O)(=O)C(C)(C)C1)c1nccs1 ZINC000155436208 396051583 /nfs/dbraw/zinc/05/15/83/396051583.db2.gz UYJAAWAWNOZZPU-UHFFFAOYSA-N 0 0 317.436 0.615 10 0 DCAERN C[C@@H]1CN(CC(=O)Nc2ccccc2F)CCS1(=O)=O ZINC000155460992 396051807 /nfs/dbraw/zinc/05/18/07/396051807.db2.gz CACLNEFTGPAKBT-SNVBAGLBSA-N 0 0 300.355 0.883 10 0 DCAERN Cc1cccn2c(=O)cc(CN3CCS(=O)(=O)[C@@H](C)C3)nc12 ZINC000155499119 396052587 /nfs/dbraw/zinc/05/25/87/396052587.db2.gz RVNZLLUMSGLTMH-LBPRGKRZSA-N 0 0 321.402 0.622 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000155481194 396052804 /nfs/dbraw/zinc/05/28/04/396052804.db2.gz YLZJYVRLSSZAIL-SKXCPACKSA-N 0 0 301.346 0.891 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)cn1C ZINC000261674159 396055435 /nfs/dbraw/zinc/05/54/35/396055435.db2.gz JILAWFOTAOCBLO-ZDUSSCGKSA-N 0 0 321.406 0.459 10 0 DCAERN C[C@@H](C(=O)N1CCCCCC1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155633517 396055571 /nfs/dbraw/zinc/05/55/71/396055571.db2.gz QZPFSDAYWLKKPM-OLZOCXBDSA-N 0 0 302.440 0.896 10 0 DCAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCO1 ZINC000155687926 396056395 /nfs/dbraw/zinc/05/63/95/396056395.db2.gz XUDXPTRESQRUAV-UHFFFAOYSA-N 0 0 310.784 0.844 10 0 DCAERN O=C([C@H]1CCCN1Cc1nnnn1C1CC1)N1CCSCC1 ZINC000068554822 396059329 /nfs/dbraw/zinc/05/93/29/396059329.db2.gz CIDLKZGZYFHYLE-GFCCVEGCSA-N 0 0 322.438 0.548 10 0 DCAERN CCCN(CC(=O)N(C)C)C(=O)c1cnn2ccc(C)nc12 ZINC000068672638 396061587 /nfs/dbraw/zinc/06/15/87/396061587.db2.gz SXOXYDJAJOGWJX-UHFFFAOYSA-N 0 0 303.366 0.978 10 0 DCAERN [NH3+]C1(C(=O)NCCNC(=O)c2ccc(F)cc2)CCOCC1 ZINC000261794551 396066199 /nfs/dbraw/zinc/06/61/99/396066199.db2.gz IJIGRGXZODSPKF-UHFFFAOYSA-N 0 0 309.341 0.180 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000159327180 396067974 /nfs/dbraw/zinc/06/79/74/396067974.db2.gz SKKVQZGKHMZVHL-NSHDSACASA-N 0 0 301.412 0.964 10 0 DCAERN C[C@H]1CN(C(=O)COc2ccccc2O)C[C@H]1N1CCOCC1 ZINC000152315583 396005645 /nfs/dbraw/zinc/00/56/45/396005645.db2.gz BCVKFGLQVPLCLW-UONOGXRCSA-N 0 0 320.389 0.950 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@@H](C)OC(C)(C)C1 ZINC000250036849 396013890 /nfs/dbraw/zinc/01/38/90/396013890.db2.gz BCOPCIZQNXJUHG-VXGBXAGGSA-N 0 0 311.426 0.611 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCCn3ncnc32)C[C@@H](C)O1 ZINC000251695875 396016292 /nfs/dbraw/zinc/01/62/92/396016292.db2.gz JRPPVSSPVKJFQD-WOPDTQHZSA-N 0 0 309.370 0.558 10 0 DCAERN CC(C)CN(C(=O)CN1CCN(C(=O)[C@@H](C)O)CC1)C(C)C ZINC000152893156 396017857 /nfs/dbraw/zinc/01/78/57/396017857.db2.gz RMCBIRXGJGCPHK-CQSZACIVSA-N 0 0 313.442 0.404 10 0 DCAERN Ic1cncnc1NCCn1ccnn1 ZINC000163901649 396086575 /nfs/dbraw/zinc/08/65/75/396086575.db2.gz SNNDSTIZPVJLDU-UHFFFAOYSA-N 0 0 316.106 0.785 10 0 DCAERN CN(C)C(=O)c1cccnc1O[C@H]1CCN(S(C)(=O)=O)C1 ZINC000169756042 396091143 /nfs/dbraw/zinc/09/11/43/396091143.db2.gz FCFHIXNHWJWDJJ-JTQLQIEISA-N 0 0 313.379 0.196 10 0 DCAERN COCCOCC(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000262028514 396091633 /nfs/dbraw/zinc/09/16/33/396091633.db2.gz SBMJYRRYMNOETF-AWEZNQCLSA-N 0 0 308.378 0.831 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](COC)c2ccco2)cn1 ZINC000175746436 396141502 /nfs/dbraw/zinc/14/15/02/396141502.db2.gz VQLUYTPQWGSZMJ-NSHDSACASA-N 0 0 321.337 0.731 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cn1 ZINC000170676159 396096670 /nfs/dbraw/zinc/09/66/70/396096670.db2.gz GLZWJOLJOLDOBA-UHFFFAOYSA-N 0 0 314.276 0.863 10 0 DCAERN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)N1CCC1 ZINC000069981859 396097340 /nfs/dbraw/zinc/09/73/40/396097340.db2.gz AUJCEKMXVDQNKB-HNNXBMFYSA-N 0 0 313.357 0.694 10 0 DCAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H]1CCCC[C@@H]1O ZINC000170891487 396100665 /nfs/dbraw/zinc/10/06/65/396100665.db2.gz FSWRHZFJEXXDOD-OLZOCXBDSA-N 0 0 316.365 0.765 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000171083578 396106434 /nfs/dbraw/zinc/10/64/34/396106434.db2.gz XCCWXNFBNOBPCI-SNVBAGLBSA-N 0 0 303.318 0.322 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000175793166 396142441 /nfs/dbraw/zinc/14/24/41/396142441.db2.gz RVKUOZQGSFMWOA-LBPRGKRZSA-N 0 0 303.370 0.926 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000171286926 396113075 /nfs/dbraw/zinc/11/30/75/396113075.db2.gz NANVJSQCVLLIEV-JTQLQIEISA-N 0 0 319.390 0.661 10 0 DCAERN CSc1ncc(Cl)c(C(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000171288510 396113094 /nfs/dbraw/zinc/11/30/94/396113094.db2.gz AMSLVJGGSGPELB-QMMMGPOBSA-N 0 0 316.814 0.912 10 0 DCAERN CN[C@H](C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1)c1cnn(C)c1 ZINC000262233007 396113669 /nfs/dbraw/zinc/11/36/69/396113669.db2.gz QPSPYNLEYRQQGK-AWEZNQCLSA-N 0 0 321.425 0.538 10 0 DCAERN CC[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)OC ZINC000175763336 396142750 /nfs/dbraw/zinc/14/27/50/396142750.db2.gz SJFMHFNEUDVGOT-LLVKDONJSA-N 0 0 319.361 0.798 10 0 DCAERN CN(CCc1ccccn1)C(=O)CNC(=O)N[C@H]1CCCOC1 ZINC000171605058 396119950 /nfs/dbraw/zinc/11/99/50/396119950.db2.gz FBXFQPLLMUPAAG-AWEZNQCLSA-N 0 0 320.393 0.561 10 0 DCAERN Cc1ncc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)s1 ZINC000171629024 396120170 /nfs/dbraw/zinc/12/01/70/396120170.db2.gz JCZMQMZFKFUSJR-AWEZNQCLSA-N 0 0 321.450 0.827 10 0 DCAERN C[C@H](O)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000171672913 396122873 /nfs/dbraw/zinc/12/28/73/396122873.db2.gz DLVHYVULJGWUQA-WFASDCNBSA-N 0 0 307.394 0.870 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C[C@@H]3CCCO3)CC2)no1 ZINC000171787838 396125097 /nfs/dbraw/zinc/12/50/97/396125097.db2.gz VDQJUIKBYUVOGP-ZDUSSCGKSA-N 0 0 308.382 0.981 10 0 DCAERN CN1C(=O)CC[C@@H](C(=O)N2CCNC(=O)C2)[C@@H]1c1ccccc1 ZINC000171790388 396125216 /nfs/dbraw/zinc/12/52/16/396125216.db2.gz DGNVJFJPFDIBKL-CJNGLKHVSA-N 0 0 315.373 0.555 10 0 DCAERN C[C@@H](CNC(=O)NC[C@@H](O)CC(C)(C)C)N1CCOCC1 ZINC000172282024 396130566 /nfs/dbraw/zinc/13/05/66/396130566.db2.gz AWYVRBGJVSMIPG-STQMWFEESA-N 0 0 301.431 0.803 10 0 DCAERN CC1CCC(OC2CCN(C(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC000262429659 396139118 /nfs/dbraw/zinc/13/91/18/396139118.db2.gz SECDZZSQFPNBRM-UHFFFAOYSA-N 0 0 311.426 0.648 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N1CCNC(=O)CC1 ZINC000069476144 396079612 /nfs/dbraw/zinc/07/96/12/396079612.db2.gz APISHQWQWHQOQE-CYBMUJFWSA-N 0 0 316.361 0.323 10 0 DCAERN O=C(CNC(=O)[C@@H]1CC(F)(F)CN1)N1CCc2ccccc2C1 ZINC000263308741 396212779 /nfs/dbraw/zinc/21/27/79/396212779.db2.gz YGHMHABZVRJVHB-ZDUSSCGKSA-N 0 0 323.343 0.685 10 0 DCAERN COCCn1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000175920207 396146413 /nfs/dbraw/zinc/14/64/13/396146413.db2.gz SVAUCGOTTWDHKP-LLVKDONJSA-N 0 0 309.370 0.614 10 0 DCAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@H]1CN(C)CCO1 ZINC000176153789 396150581 /nfs/dbraw/zinc/15/05/81/396150581.db2.gz QMDNNPAAHQHAQF-NSHDSACASA-N 0 0 322.409 0.436 10 0 DCAERN CCCCN(C)S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000074051513 396156260 /nfs/dbraw/zinc/15/62/60/396156260.db2.gz MGZFFQMYVARTRP-ZDUSSCGKSA-N 0 0 311.407 0.880 10 0 DCAERN CC(C)(CNC(=O)COC1CCCC1)N1CCS(=O)CC1 ZINC000074135675 396158586 /nfs/dbraw/zinc/15/85/86/396158586.db2.gz LGQBZLZIADZJBB-UHFFFAOYSA-N 0 0 316.467 0.905 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262630454 396164375 /nfs/dbraw/zinc/16/43/75/396164375.db2.gz MNGNUZVZLRNHCX-RYUDHWBXSA-N 0 0 306.366 0.641 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000177192451 396169376 /nfs/dbraw/zinc/16/93/76/396169376.db2.gz WEQQDQVAGXRMHW-ZDUSSCGKSA-N 0 0 321.406 0.391 10 0 DCAERN CN(CCCNC(=O)CSC[C@@H](O)CO)c1ccccc1 ZINC000177433291 396175330 /nfs/dbraw/zinc/17/53/30/396175330.db2.gz FMIUEZIAWLJATB-AWEZNQCLSA-N 0 0 312.435 0.716 10 0 DCAERN O=C(NCc1ccc(CO)c(F)c1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177473216 396176787 /nfs/dbraw/zinc/17/67/87/396176787.db2.gz WMZPDIYTAPVWBL-LBPRGKRZSA-N 0 0 321.352 0.881 10 0 DCAERN CCOC[C@H]1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000177540688 396178167 /nfs/dbraw/zinc/17/81/67/396178167.db2.gz CEOAWPZDOXPFRI-NSHDSACASA-N 0 0 312.391 0.833 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)c1ccccc1-n1cnnn1 ZINC000177611819 396179535 /nfs/dbraw/zinc/17/95/35/396179535.db2.gz ZIVUMBHSSVDVKP-NSHDSACASA-N 0 0 310.321 0.519 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)N[C@@H]1CCc2ncnn2C1 ZINC000177628543 396180177 /nfs/dbraw/zinc/18/01/77/396180177.db2.gz FKYGCRHBYJFQJP-GFCCVEGCSA-N 0 0 311.349 0.740 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1ccnn1 ZINC000177787464 396183519 /nfs/dbraw/zinc/18/35/19/396183519.db2.gz OTIDDKVFFZWQDG-QWRGUYRKSA-N 0 0 317.349 0.339 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)NCCc1ccsc1 ZINC000178286144 396192643 /nfs/dbraw/zinc/19/26/43/396192643.db2.gz QQPRYDIDECBHOS-UHFFFAOYSA-N 0 0 320.436 0.363 10 0 DCAERN O=C(NCCOc1ccc2c(c1)OCO2)[C@@H]1CC(F)(F)CN1 ZINC000262964256 396194787 /nfs/dbraw/zinc/19/47/87/396194787.db2.gz KZIASBHHIOBUPX-JTQLQIEISA-N 0 0 314.288 0.908 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000263015888 396197569 /nfs/dbraw/zinc/19/75/69/396197569.db2.gz QJQVLZXACMVZFY-LLVKDONJSA-N 0 0 303.353 0.747 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H]2CC(F)(F)CN2)CC1(C)C ZINC000263014753 396198053 /nfs/dbraw/zinc/19/80/53/396198053.db2.gz QFOSZYZKTHLURZ-JTQLQIEISA-N 0 0 303.353 0.841 10 0 DCAERN CN1CCC[C@H]1CNC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000178606379 396201047 /nfs/dbraw/zinc/20/10/47/396201047.db2.gz LFBQBQWIIHHVHL-NSHDSACASA-N 0 0 303.428 0.205 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000076358136 396202066 /nfs/dbraw/zinc/20/20/66/396202066.db2.gz YKJBDPCTIRUDPM-UWVGGRQHSA-N 0 0 304.354 0.425 10 0 DCAERN CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(OCC(N)=O)c2)n1 ZINC000263162404 396203350 /nfs/dbraw/zinc/20/33/50/396203350.db2.gz DXSRDMAXVCIWPO-GFCCVEGCSA-N 0 0 317.349 0.177 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000180873795 396235316 /nfs/dbraw/zinc/23/53/16/396235316.db2.gz SOHIBWVHNJCOQN-VHSXEESVSA-N 0 0 314.345 0.649 10 0 DCAERN O=C(CNC(=O)Cn1ccc(=O)c2ccccc21)NCC1CC1 ZINC000180902846 396235529 /nfs/dbraw/zinc/23/55/29/396235529.db2.gz MHNPBDISJVMCNE-UHFFFAOYSA-N 0 0 313.357 0.644 10 0 DCAERN O=C(NCCCn1ccnn1)C(=O)Nc1cccc2[nH]ccc21 ZINC000181783348 396242342 /nfs/dbraw/zinc/24/23/42/396242342.db2.gz YUMRXXSJGLZTHZ-UHFFFAOYSA-N 0 0 312.333 0.904 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCC2(CCOC)CC2)CC1 ZINC000182017080 396244896 /nfs/dbraw/zinc/24/48/96/396244896.db2.gz UCHBVGGXYAXLRC-AWEZNQCLSA-N 0 0 313.442 0.901 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCC(=O)NC(C)C ZINC000182066882 396245816 /nfs/dbraw/zinc/24/58/16/396245816.db2.gz BQYVKWFDNDZCJB-UHFFFAOYSA-N 0 0 319.365 0.621 10 0 DCAERN Cc1oc2ccccc2c1CNC(=O)CN1CC(=O)NC1=O ZINC000184036887 396281794 /nfs/dbraw/zinc/28/17/94/396281794.db2.gz GNAWOMWKNXOCSJ-UHFFFAOYSA-N 0 0 301.302 0.909 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000078547845 396247665 /nfs/dbraw/zinc/24/76/65/396247665.db2.gz GRRXIAGPWGLPQX-CQSZACIVSA-N 0 0 317.389 0.804 10 0 DCAERN Cn1nc2c(cc1=O)CN(CC(=O)NC1CCCCC1)CC2 ZINC000078621737 396250146 /nfs/dbraw/zinc/25/01/46/396250146.db2.gz NQSCCGDQQDJKPY-UHFFFAOYSA-N 0 0 304.394 0.587 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCn1cc(C)cn1 ZINC000182449198 396250757 /nfs/dbraw/zinc/25/07/57/396250757.db2.gz BXRXZQXBQNCHSC-UHFFFAOYSA-N 0 0 314.349 0.912 10 0 DCAERN Cn1cc([C@H]2CCCN2S(=O)(=O)N2CCOCC2)cn1 ZINC000264057543 396252207 /nfs/dbraw/zinc/25/22/07/396252207.db2.gz JQYCTELAAMKPIO-GFCCVEGCSA-N 0 0 300.384 0.134 10 0 DCAERN COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C2CN(C(C)=O)C2)c1 ZINC000281988762 396254660 /nfs/dbraw/zinc/25/46/60/396254660.db2.gz AHGHATSFYTWZGF-ZBFHGGJFSA-N 0 0 318.373 0.808 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c(F)c2)[C@@H](C)CO1 ZINC000080541486 396282477 /nfs/dbraw/zinc/28/24/77/396282477.db2.gz UTNUHVKUBKGOLO-IUCAKERBSA-N 0 0 316.354 0.723 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC(=O)N1C ZINC000282100361 396263124 /nfs/dbraw/zinc/26/31/24/396263124.db2.gz DUCQRMDYDRJFAH-CABZTGNLSA-N 0 0 319.336 0.941 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)NCCCn3ccnn3)ccc2O1 ZINC000183168110 396264106 /nfs/dbraw/zinc/26/41/06/396264106.db2.gz ZAOJWCDXRZOGGK-NSHDSACASA-N 0 0 322.390 0.970 10 0 DCAERN COc1cccc(C(=O)NCC(=O)N2CCN(C3CC3)CC2)c1 ZINC000183298636 396266817 /nfs/dbraw/zinc/26/68/17/396266817.db2.gz RMFVOEVIBQHJRT-UHFFFAOYSA-N 0 0 317.389 0.732 10 0 DCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@]2(CCCOC2)C1 ZINC000079992157 396273732 /nfs/dbraw/zinc/27/37/32/396273732.db2.gz ODPYQCHRANZBKI-OCCSQVGLSA-N 0 0 301.408 0.840 10 0 DCAERN O=C(CNC(=O)N1CCO[C@H](c2nccs2)C1)NCC1CC1 ZINC000183800054 396275476 /nfs/dbraw/zinc/27/54/76/396275476.db2.gz LNXHOLUDSGZTLY-NSHDSACASA-N 0 0 324.406 0.752 10 0 DCAERN Cn1ccnc1CN1CCC(C(=O)NCC(F)(F)CO)CC1 ZINC000183914888 396277321 /nfs/dbraw/zinc/27/73/21/396277321.db2.gz YDNIDSJETMIZKA-UHFFFAOYSA-N 0 0 316.352 0.376 10 0 DCAERN CCCCNC(=O)CN1CCN(c2cc(OC)ncn2)CC1 ZINC000184064968 396283412 /nfs/dbraw/zinc/28/34/12/396283412.db2.gz OBHBSRBIFAJOSS-UHFFFAOYSA-N 0 0 307.398 0.524 10 0 DCAERN NC(=O)CC1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)CC1 ZINC000077257881 396216306 /nfs/dbraw/zinc/21/63/06/396216306.db2.gz SPWSQDADYABZPZ-UHFFFAOYSA-N 0 0 316.361 0.444 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000179585256 396228624 /nfs/dbraw/zinc/22/86/24/396228624.db2.gz WOHPVBCKXGJLCG-QMMMGPOBSA-N 0 0 324.381 0.903 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCCCOC)CC1 ZINC000184984016 396312846 /nfs/dbraw/zinc/31/28/46/396312846.db2.gz UKXVJEHITHPHTQ-AWEZNQCLSA-N 0 0 301.431 0.901 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)N1CCC[C@@H]1C ZINC000185054463 396316023 /nfs/dbraw/zinc/31/60/23/396316023.db2.gz QIHRYRIYJPZISX-WDEREUQCSA-N 0 0 313.427 0.994 10 0 DCAERN CC(C)(C)CC(=O)NCC(=O)NCCc1nnc2n1CCCC2 ZINC000184113784 396286363 /nfs/dbraw/zinc/28/63/63/396286363.db2.gz XVFICQDWFMKEJX-UHFFFAOYSA-N 0 0 321.425 0.826 10 0 DCAERN COCCCCS(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000184309802 396290458 /nfs/dbraw/zinc/29/04/58/396290458.db2.gz YQMCRSHHPJFNEC-UHFFFAOYSA-N 0 0 314.407 0.674 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3ccccn3n2)C1 ZINC000184329385 396291073 /nfs/dbraw/zinc/29/10/73/396291073.db2.gz FUDSMXQUSICXAA-LLVKDONJSA-N 0 0 302.338 0.862 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000184324521 396291187 /nfs/dbraw/zinc/29/11/87/396291187.db2.gz FLDHQURJOXSAQU-BPNCWPANSA-N 0 0 324.402 0.406 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000184347351 396292248 /nfs/dbraw/zinc/29/22/48/396292248.db2.gz NEZPGFWOPYDAKL-AAEUAGOBSA-N 0 0 312.391 0.513 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000184416103 396294339 /nfs/dbraw/zinc/29/43/39/396294339.db2.gz JOYREKFFHCNRGT-WUHRBBMRSA-N 0 0 318.439 0.873 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CCO[C@@]3(CCOC3)C2)cnn1C ZINC000184410844 396294463 /nfs/dbraw/zinc/29/44/63/396294463.db2.gz CXFUGHVLSGHOJV-ABAIWWIYSA-N 0 0 308.382 0.990 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(CCO)Cc1cccnc1 ZINC000184432883 396295404 /nfs/dbraw/zinc/29/54/04/396295404.db2.gz ANTWAYQODDEDPK-AAEUAGOBSA-N 0 0 300.380 0.383 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@H](C(N)=O)C2)c(-c2ccccc2)o1 ZINC000184569538 396298500 /nfs/dbraw/zinc/29/85/00/396298500.db2.gz WYWCXVQNWZJRRX-LBPRGKRZSA-N 0 0 315.329 0.976 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)NCCCn2cccn2)CC1 ZINC000184805634 396306964 /nfs/dbraw/zinc/30/69/64/396306964.db2.gz RECXPBHJYRSEGC-AWEZNQCLSA-N 0 0 309.414 0.371 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2cccnc2)CC1 ZINC000184797299 396307358 /nfs/dbraw/zinc/30/73/58/396307358.db2.gz YZBIOALHDHUACO-OAHLLOKOSA-N 0 0 306.410 0.722 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000185224005 396322539 /nfs/dbraw/zinc/32/25/39/396322539.db2.gz WTHQJAIDZZFUPX-GWCFXTLKSA-N 0 0 309.391 0.632 10 0 DCAERN COCC(=O)NC1CN(C(=O)CSCC(F)(F)F)C1 ZINC000185244038 396322958 /nfs/dbraw/zinc/32/29/58/396322958.db2.gz STLBMNFBGHXJAZ-UHFFFAOYSA-N 0 0 300.302 0.255 10 0 DCAERN COCCCCS(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000185904240 396336465 /nfs/dbraw/zinc/33/64/65/396336465.db2.gz XZCIPKIYKICXTB-LBPRGKRZSA-N 0 0 318.370 0.698 10 0 DCAERN Cc1cc(C)n(-c2ccc(N3CC(=O)N(C)[C@@H](C)C3)nn2)n1 ZINC000283440674 396336870 /nfs/dbraw/zinc/33/68/70/396336870.db2.gz HWOCQGGLXPXXHF-LBPRGKRZSA-N 0 0 300.366 0.946 10 0 DCAERN O=C(NC1CN(C(=O)NCCc2ccccn2)C1)C1CCC1 ZINC000185955977 396337568 /nfs/dbraw/zinc/33/75/68/396337568.db2.gz INZGFXLCWMMZRO-UHFFFAOYSA-N 0 0 302.378 0.934 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)NCCOc1ccccc1 ZINC000185954611 396337739 /nfs/dbraw/zinc/33/77/39/396337739.db2.gz UMOKPVPPPQKXMI-QGZVFWFLSA-N 0 0 319.405 0.912 10 0 DCAERN C[C@@H](CO)N(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000185764754 396334637 /nfs/dbraw/zinc/33/46/37/396334637.db2.gz XCQXFQAAVCIFQR-VIFPVBQESA-N 0 0 307.375 0.524 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CSC3(C)C)cnc21 ZINC000283401283 396334763 /nfs/dbraw/zinc/33/47/63/396334763.db2.gz QHQUNHVONQEUPM-VIFPVBQESA-N 0 0 320.374 0.658 10 0 DCAERN CNC(=O)CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000186103260 396341339 /nfs/dbraw/zinc/34/13/39/396341339.db2.gz RAIWQJSUZJBLSH-CYBMUJFWSA-N 0 0 318.377 0.211 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCC[C@H](NC(C)=O)C1 ZINC000186182385 396343666 /nfs/dbraw/zinc/34/36/66/396343666.db2.gz LBBXBZYZEOVGLT-ZDUSSCGKSA-N 0 0 308.382 0.697 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000186565628 396352713 /nfs/dbraw/zinc/35/27/13/396352713.db2.gz GURXGARRYZUZIP-NVXWUHKLSA-N 0 0 321.421 0.914 10 0 DCAERN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)CCC1=O ZINC000186582443 396353368 /nfs/dbraw/zinc/35/33/68/396353368.db2.gz NVAKXISMJVVGKO-GFCCVEGCSA-N 0 0 324.402 0.793 10 0 DCAERN Cn1cc(CCCNC(=O)N2CC(NC(=O)C3CC3)C2)cn1 ZINC000186828370 396359110 /nfs/dbraw/zinc/35/91/10/396359110.db2.gz VLJZZIOTEFCXOB-UHFFFAOYSA-N 0 0 305.382 0.273 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](O)C1(C)C)CC2 ZINC000187114824 396363710 /nfs/dbraw/zinc/36/37/10/396363710.db2.gz SYIRGTAZFFCWLL-VWYCJHECSA-N 0 0 307.398 0.614 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000187327201 396367178 /nfs/dbraw/zinc/36/71/78/396367178.db2.gz NRJLTXLRLSRCDL-ZDUSSCGKSA-N 0 0 303.362 0.743 10 0 DCAERN CC(F)(F)c1cccc(NC(=O)C(=O)NCCOCCO)c1 ZINC000187413784 396369370 /nfs/dbraw/zinc/36/93/70/396369370.db2.gz GVABGSOABFECMZ-UHFFFAOYSA-N 0 0 316.304 0.862 10 0 DCAERN CNC(=O)[C@H]1CN(CCC(=O)c2ccc(F)cc2F)CCO1 ZINC000187467637 396370083 /nfs/dbraw/zinc/37/00/83/396370083.db2.gz BPTCVSFPDPFQIZ-CQSZACIVSA-N 0 0 312.316 0.984 10 0 DCAERN CNC(=O)CC(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000187572503 396370940 /nfs/dbraw/zinc/37/09/40/396370940.db2.gz IEUJKTGIEKMPEF-UHFFFAOYSA-N 0 0 303.322 0.136 10 0 DCAERN CC(=O)OC(C)(C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000187542569 396371150 /nfs/dbraw/zinc/37/11/50/396371150.db2.gz YQZZENMUHXOTOP-LBPRGKRZSA-N 0 0 306.366 0.903 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccoc3)CC[C@@H]21 ZINC000286045902 396371636 /nfs/dbraw/zinc/37/16/36/396371636.db2.gz BIXJSQNGZLLUTH-NEPJUHHUSA-N 0 0 315.333 0.908 10 0 DCAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCNC(=O)c1ccco1 ZINC000187642999 396372108 /nfs/dbraw/zinc/37/21/08/396372108.db2.gz NUZMPGBOQIQLDN-OAHLLOKOSA-N 0 0 308.334 0.954 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCc3sccc3C2)CCN1CCO ZINC000187682124 396372683 /nfs/dbraw/zinc/37/26/83/396372683.db2.gz YWSUSKGJYQZNFG-CYBMUJFWSA-N 0 0 323.462 0.631 10 0 DCAERN Cc1noc(C)c1CCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285607306 396351378 /nfs/dbraw/zinc/35/13/78/396351378.db2.gz XWMDHFGHJKXXKP-GJZGRUSLSA-N 0 0 322.409 0.948 10 0 DCAERN CCOC[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000188397187 396381871 /nfs/dbraw/zinc/38/18/71/396381871.db2.gz OLTWUVVXXFHREM-XQQFMLRXSA-N 0 0 308.444 0.991 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000188432682 396382427 /nfs/dbraw/zinc/38/24/27/396382427.db2.gz IAZIXIIBKWDTFS-HNNXBMFYSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@H]1CN(C(=O)CCOC2CCOCC2)CCN1CCO ZINC000188744986 396385976 /nfs/dbraw/zinc/38/59/76/396385976.db2.gz YUXXCGPUHXKKDS-ZDUSSCGKSA-N 0 0 300.399 0.097 10 0 DCAERN CCN1CCCN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1=O ZINC000286309238 396387062 /nfs/dbraw/zinc/38/70/62/396387062.db2.gz VCHRBNLNEFSMQJ-TZMCWYRMSA-N 0 0 320.393 0.579 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N3CCCNC(=O)[C@H]3C)ccc21 ZINC000188908758 396388703 /nfs/dbraw/zinc/38/87/03/396388703.db2.gz AVODMODTLBOHFG-LLVKDONJSA-N 0 0 315.373 0.946 10 0 DCAERN CN(C)c1noc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000189055304 396390732 /nfs/dbraw/zinc/39/07/32/396390732.db2.gz NEQSQCBTPYAAER-UHFFFAOYSA-N 0 0 303.388 0.121 10 0 DCAERN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCO[C@@H](CO)C1 ZINC000269160728 396390836 /nfs/dbraw/zinc/39/08/36/396390836.db2.gz XTWNLEKCJYMRRB-PWSUYJOCSA-N 0 0 308.309 0.471 10 0 DCAERN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189249688 396392249 /nfs/dbraw/zinc/39/22/49/396392249.db2.gz ZEMBWJZXMWTTFP-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN COCCN1CCCN(C(=O)NCc2ncccc2C)CC1=O ZINC000189369462 396394213 /nfs/dbraw/zinc/39/42/13/396394213.db2.gz GEWCLRZFSKMMGN-UHFFFAOYSA-N 0 0 320.393 0.780 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2C[C@H](F)C[C@H]2C(N)=O)NC1=O ZINC000286645922 396396808 /nfs/dbraw/zinc/39/68/08/396396808.db2.gz CNCSKBSNICNQOU-RNSXUZJQSA-N 0 0 321.308 0.444 10 0 DCAERN C[C@@H](C(=O)NCCc1nc(-c2ccccc2)n[nH]1)n1cncn1 ZINC000189779029 396399041 /nfs/dbraw/zinc/39/90/41/396399041.db2.gz GWXZHWLCLLLPRP-NSHDSACASA-N 0 0 311.349 0.983 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NOC[C@@H]1CCOC1)CC2 ZINC000190181594 396402966 /nfs/dbraw/zinc/40/29/66/396402966.db2.gz RUOJDUFTKKZLTE-NEPJUHHUSA-N 0 0 323.397 0.984 10 0 DCAERN CC1(C)CN(C(=O)c2cnc(C3CC3)nc2N)CCS1(=O)=O ZINC000287504706 396404655 /nfs/dbraw/zinc/40/46/55/396404655.db2.gz AFLIKAARQQMBER-UHFFFAOYSA-N 0 0 324.406 0.585 10 0 DCAERN O=C(NCC1(CCO)CC1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000190313414 396405061 /nfs/dbraw/zinc/40/50/61/396405061.db2.gz ALCVLUOSPRWNMJ-CYBMUJFWSA-N 0 0 319.409 0.907 10 0 DCAERN CCN1CN(C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1=O ZINC000190574714 396408472 /nfs/dbraw/zinc/40/84/72/396408472.db2.gz PLPMEQGPUHUMKP-UHFFFAOYSA-N 0 0 324.402 0.969 10 0 DCAERN CCN1CN(S(=O)(=O)Cc2c(F)cccc2F)CC1=O ZINC000190650232 396409726 /nfs/dbraw/zinc/40/97/26/396409726.db2.gz VTPQACPFZQUCJC-UHFFFAOYSA-N 0 0 304.318 0.916 10 0 DCAERN CCCN1CCCN(C(=O)C(=O)Nc2cn(C)nc2C)CC1=O ZINC000190715828 396410249 /nfs/dbraw/zinc/41/02/49/396410249.db2.gz MHLLWPGIXYIPLV-UHFFFAOYSA-N 0 0 321.381 0.138 10 0 DCAERN COCCN1CCCN(CCn2c(C)csc2=O)CC1=O ZINC000190794260 396411522 /nfs/dbraw/zinc/41/15/22/396411522.db2.gz JTWDGFRJICZFSY-UHFFFAOYSA-N 0 0 313.423 0.399 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000191119676 396415686 /nfs/dbraw/zinc/41/56/86/396415686.db2.gz ZAWYLZJGXKAVJD-GFCCVEGCSA-N 0 0 312.414 0.017 10 0 DCAERN COc1ccccc1CNC(=O)[C@@H](C)N1CCCN(C)C(=O)C1 ZINC000191135057 396415869 /nfs/dbraw/zinc/41/58/69/396415869.db2.gz NHVBBXACFVXLAN-CYBMUJFWSA-N 0 0 319.405 0.864 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000191452043 396419433 /nfs/dbraw/zinc/41/94/33/396419433.db2.gz SIYIPSYXEWXRMK-GFCCVEGCSA-N 0 0 312.391 0.874 10 0 DCAERN CCc1nn(C)c(CC)c1CNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191521807 396420364 /nfs/dbraw/zinc/42/03/64/396420364.db2.gz CPQZNCONDMUERJ-LLVKDONJSA-N 0 0 321.425 0.965 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2ccc3ncsc3c2)CC1=O ZINC000191514996 396420442 /nfs/dbraw/zinc/42/04/42/396420442.db2.gz JWOPODRQZHYJND-UHFFFAOYSA-N 0 0 318.358 0.883 10 0 DCAERN CCN1CN(CC(=O)NCCN2CCc3ccccc32)CC1=O ZINC000191541843 396421580 /nfs/dbraw/zinc/42/15/80/396421580.db2.gz CAOHVAHWQWASCU-UHFFFAOYSA-N 0 0 316.405 0.287 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000191723313 396423420 /nfs/dbraw/zinc/42/34/20/396423420.db2.gz FTDUHSLDVJINDG-SNVBAGLBSA-N 0 0 322.390 0.599 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)C1 ZINC000191819105 396425337 /nfs/dbraw/zinc/42/53/37/396425337.db2.gz XNFKPKFYQZCMMD-AWEZNQCLSA-N 0 0 313.361 0.797 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000192586561 396432888 /nfs/dbraw/zinc/43/28/88/396432888.db2.gz GBCPMZRZKCBSEV-QWHCGFSZSA-N 0 0 323.418 0.652 10 0 DCAERN CC(C)(C(N)=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000269658815 396433521 /nfs/dbraw/zinc/43/35/21/396433521.db2.gz FAMWFKSUAGWXBY-UHFFFAOYSA-N 0 0 319.409 0.241 10 0 DCAERN NC(=O)[C@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000192987477 396441716 /nfs/dbraw/zinc/44/17/16/396441716.db2.gz MTJXRQNBSUBMLN-GFCCVEGCSA-N 0 0 304.346 0.867 10 0 DCAERN O=C(CCn1cncn1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188093607 396379166 /nfs/dbraw/zinc/37/91/66/396379166.db2.gz PJRUZXBHBSZPLN-UHFFFAOYSA-N 0 0 315.381 0.618 10 0 DCAERN Cn1ccc(CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000188090701 396379283 /nfs/dbraw/zinc/37/92/83/396379283.db2.gz SDZNBUJAFDCWLS-UHFFFAOYSA-N 0 0 314.393 0.912 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N2CCCN(C)C(=O)C2)c1 ZINC000188226556 396380181 /nfs/dbraw/zinc/38/01/81/396380181.db2.gz VQMLQXZJMFTREB-UHFFFAOYSA-N 0 0 314.411 0.392 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000580846125 396505340 /nfs/dbraw/zinc/50/53/40/396505340.db2.gz UIAPKBUIQQOXBZ-VIFPVBQESA-N 0 0 320.349 0.799 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC(N3CCNC3=O)C2)cc1C ZINC000288902303 396449301 /nfs/dbraw/zinc/44/93/01/396449301.db2.gz JQTJJJUJTBQOFF-UHFFFAOYSA-N 0 0 309.391 0.702 10 0 DCAERN O=C1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CCN1 ZINC000193445448 396451461 /nfs/dbraw/zinc/45/14/61/396451461.db2.gz RYIODXMSMRNBPP-UHFFFAOYSA-N 0 0 324.402 0.316 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cn2)C[C@H]1C ZINC000193471389 396451808 /nfs/dbraw/zinc/45/18/08/396451808.db2.gz NVVLWBPSYBZTHJ-GHMZBOCLSA-N 0 0 324.356 0.073 10 0 DCAERN COc1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)c(C)n1 ZINC000371833727 396478253 /nfs/dbraw/zinc/47/82/53/396478253.db2.gz CVMFWMYQSNDGMB-GFCCVEGCSA-N 0 0 306.366 0.947 10 0 DCAERN CCN1C(=O)[C@H]2CN(C[C@@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738128 396542186 /nfs/dbraw/zinc/54/21/86/396542186.db2.gz IVSWXPJZOMXQSO-DTWKUNHWSA-N 0 0 309.288 0.268 10 0 DCAERN Cn1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(C2CC2)n1 ZINC000292338030 396545261 /nfs/dbraw/zinc/54/52/61/396545261.db2.gz XQASXJYDPZYGHY-UHFFFAOYSA-N 0 0 311.407 0.947 10 0 DCAERN Nc1ncnc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1Cl ZINC000528216245 396549347 /nfs/dbraw/zinc/54/93/47/396549347.db2.gz JLNDQOQTUOIQBY-SFYZADRCSA-N 0 0 302.787 0.868 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000372928062 396554334 /nfs/dbraw/zinc/55/43/34/396554334.db2.gz LUXOJNOGRBGLEB-UHFFFAOYSA-N 0 0 301.306 0.309 10 0 DCAERN CCOC(=O)c1csc(CN2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000292528875 396554902 /nfs/dbraw/zinc/55/49/02/396554902.db2.gz FMFACZIMBNLXSY-SECBINFHSA-N 0 0 318.420 0.939 10 0 DCAERN CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000581579447 396566052 /nfs/dbraw/zinc/56/60/52/396566052.db2.gz YIUCTKHFQFNUPF-JTQLQIEISA-N 0 0 318.333 0.731 10 0 DCAERN C(c1nnnn1CC1CCOCC1)N1CCO[C@H](C2CC2)C1 ZINC000373107868 396567094 /nfs/dbraw/zinc/56/70/94/396567094.db2.gz XNOBGBXWZICERO-AWEZNQCLSA-N 0 0 307.398 0.711 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1nnnn1C)CC2 ZINC000530378266 396575796 /nfs/dbraw/zinc/57/57/96/396575796.db2.gz NSVXVBGHPATBGI-VIFPVBQESA-N 0 0 303.370 0.478 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)C[C@H]2CCCO2)CC1=O ZINC000374147537 396643007 /nfs/dbraw/zinc/64/30/07/396643007.db2.gz VGRZFBMGLUQUKB-KXNHARMFSA-N 0 0 302.396 0.094 10 0 DCAERN Cn1ncc2c1ncnc2NCCCN1CCCS1(=O)=O ZINC000585744848 396651959 /nfs/dbraw/zinc/65/19/59/396651959.db2.gz BCBKHGUKCQTPRK-UHFFFAOYSA-N 0 0 310.383 0.201 10 0 DCAERN O=C(Cc1ccccc1F)NCCCN1CCCS1(=O)=O ZINC000585738446 396652014 /nfs/dbraw/zinc/65/20/14/396652014.db2.gz WZYNYBFIROWFLT-UHFFFAOYSA-N 0 0 314.382 0.910 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc(F)cc1 ZINC000585737556 396652072 /nfs/dbraw/zinc/65/20/72/396652072.db2.gz BSYWREJZWQYEAD-UHFFFAOYSA-N 0 0 300.355 0.981 10 0 DCAERN C[C@H]1CCOCCN1C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000373469429 396593322 /nfs/dbraw/zinc/59/33/22/396593322.db2.gz ZSUKTKFCVVDBNT-NSHDSACASA-N 0 0 304.412 0.774 10 0 DCAERN CCCCN(CCO)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000560982986 396627585 /nfs/dbraw/zinc/62/75/85/396627585.db2.gz WOHCJEYYVSZIKM-UHFFFAOYSA-N 0 0 304.350 0.894 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000373999255 396630407 /nfs/dbraw/zinc/63/04/07/396630407.db2.gz RAJIBTHJBLKTPM-BLLLJJGKSA-N 0 0 309.410 0.810 10 0 DCAERN NC(=S)c1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000374044328 396634976 /nfs/dbraw/zinc/63/49/76/396634976.db2.gz HVCIVJYUEONPND-ZDUSSCGKSA-N 0 0 305.403 0.477 10 0 DCAERN CSC1(C(=O)N2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)CCC1 ZINC000585815704 396660929 /nfs/dbraw/zinc/66/09/29/396660929.db2.gz NOWWTUVTXIAVQX-NEPJUHHUSA-N 0 0 322.434 0.733 10 0 DCAERN O=C(Cc1ccccc1O)NCCCN1CCCS1(=O)=O ZINC000586763025 396663648 /nfs/dbraw/zinc/66/36/48/396663648.db2.gz JGYPDCMJGICCRF-UHFFFAOYSA-N 0 0 312.391 0.477 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000374651367 396678530 /nfs/dbraw/zinc/67/85/30/396678530.db2.gz AVWPAZQCYCURDA-WCBMZHEXSA-N 0 0 302.277 0.705 10 0 DCAERN COC[C@@H](O)CNC(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000374663101 396679132 /nfs/dbraw/zinc/67/91/32/396679132.db2.gz ZGJHVFXFLJTRHK-JQWIXIFHSA-N 0 0 310.350 0.825 10 0 DCAERN O=C(CNC(=O)c1ccncc1)N1CCC(c2ncc[nH]2)CC1 ZINC000588217174 396681499 /nfs/dbraw/zinc/68/14/99/396681499.db2.gz UQOZWQQIMBXPGB-UHFFFAOYSA-N 0 0 313.361 0.941 10 0 DCAERN O=C(CNCC(F)(F)F)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374752286 396684896 /nfs/dbraw/zinc/68/48/96/396684896.db2.gz PUENJSOYAUZALZ-CMPLNLGQSA-N 0 0 324.343 0.822 10 0 DCAERN CN1N=C(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CCC1=O ZINC000374758038 396685998 /nfs/dbraw/zinc/68/59/98/396685998.db2.gz JHKVZDUZURCISF-SMDDNHRTSA-N 0 0 323.393 0.279 10 0 DCAERN CC(C)(C)OC(=O)N1CC(CC(=O)N2CC(n3ccnn3)C2)C1 ZINC000374802679 396688252 /nfs/dbraw/zinc/68/82/52/396688252.db2.gz RPRHHYNJBXZARG-UHFFFAOYSA-N 0 0 321.381 0.918 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CCN2CCOC[C@H]2C1 ZINC000374960571 396701670 /nfs/dbraw/zinc/70/16/70/396701670.db2.gz CTQCQIGLMRVLHL-CQSZACIVSA-N 0 0 309.410 0.322 10 0 DCAERN CCc1n[nH]cc1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000589557596 396718200 /nfs/dbraw/zinc/71/82/00/396718200.db2.gz ONGCCPZBTXZXLA-UHFFFAOYSA-N 0 0 315.377 0.798 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)C2CC2)C1 ZINC000589617738 396720114 /nfs/dbraw/zinc/72/01/14/396720114.db2.gz NDUVFZRFKJNSBN-DGCLKSJQSA-N 0 0 317.455 0.952 10 0 DCAERN C[C@H](O)c1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000375236010 396720302 /nfs/dbraw/zinc/72/03/02/396720302.db2.gz DGDBLYOCOLEQJG-XJKSGUPXSA-N 0 0 319.405 0.966 10 0 DCAERN OCCOc1cncc(N2CCC(Cn3cncn3)CC2)n1 ZINC000302562874 396720630 /nfs/dbraw/zinc/72/06/30/396720630.db2.gz VANVRWYYFFLEHG-UHFFFAOYSA-N 0 0 304.354 0.356 10 0 DCAERN CCc1cc(=O)n2nc(N3CCN(C[C@@H](C)O)CC3)sc2n1 ZINC000302567770 396720725 /nfs/dbraw/zinc/72/07/25/396720725.db2.gz XMVIQNXQJDNRAN-SNVBAGLBSA-N 0 0 323.422 0.216 10 0 DCAERN CNC(=O)c1cccnc1N1CCN(C(=O)CCOC)CC1 ZINC000302645413 396722395 /nfs/dbraw/zinc/72/23/95/396722395.db2.gz FQFQLRFVPKHYHY-UHFFFAOYSA-N 0 0 306.366 0.126 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3C[C@@H](C)O[C@H](CO)C3)n2)n1 ZINC000302744665 396722587 /nfs/dbraw/zinc/72/25/87/396722587.db2.gz DVQYTWIFBMMWBD-OLZOCXBDSA-N 0 0 303.366 0.865 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCN[C@H](c3ccncc3)C2)CC1=O ZINC000374378145 396659533 /nfs/dbraw/zinc/65/95/33/396659533.db2.gz QBPDAGNRJIIEOX-KGLIPLIRSA-N 0 0 302.378 0.423 10 0 DCAERN CO[C@@H](C(=O)N1CCn2c(C)c(C)nc2C1)c1cnn(C)c1 ZINC000375619043 396782653 /nfs/dbraw/zinc/78/26/53/396782653.db2.gz CBQCODKKDPAWGD-CQSZACIVSA-N 0 0 303.366 0.963 10 0 DCAERN COC[C@H](C)OC[C@@H](O)CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375353902 396731669 /nfs/dbraw/zinc/73/16/69/396731669.db2.gz MKHBERXFFKSPTM-WFASDCNBSA-N 0 0 313.369 0.741 10 0 DCAERN NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)C2=CCCCO2)CC1 ZINC000375365654 396732566 /nfs/dbraw/zinc/73/25/66/396732566.db2.gz HWRVRDQZUVXRLT-GXTWGEPZSA-N 0 0 308.378 0.810 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@H](CC(N)=O)C2)ccc1C ZINC000629392972 396736318 /nfs/dbraw/zinc/73/63/18/396736318.db2.gz MOOCHFORRWVGLD-CYBMUJFWSA-N 0 0 304.346 0.914 10 0 DCAERN O=C(CO)N1CCN(C(=O)c2cccn2C2CCCC2)CC1 ZINC000305832052 396754756 /nfs/dbraw/zinc/75/47/56/396754756.db2.gz OLYPMSXSQQPUCI-UHFFFAOYSA-N 0 0 305.378 0.880 10 0 DCAERN CN1C[C@H](Nc2ncncc2I)CC1=O ZINC000307707674 396756975 /nfs/dbraw/zinc/75/69/75/396756975.db2.gz HWHXXTSISHUURI-ZCFIWIBFSA-N 0 0 318.118 0.724 10 0 DCAERN Brc1cc(Br)n(Cc2nn[nH]n2)n1 ZINC000307757973 396757478 /nfs/dbraw/zinc/75/74/78/396757478.db2.gz MYHYGNHAEIXMFI-UHFFFAOYSA-N 0 0 307.937 0.970 10 0 DCAERN NS(=O)(=O)c1cccc(S(=O)(=O)NCCCCF)c1 ZINC000311943699 396761545 /nfs/dbraw/zinc/76/15/45/396761545.db2.gz JYZNSOPDVNQLKC-UHFFFAOYSA-N 0 0 310.372 0.362 10 0 DCAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(C)(CO)CO)C1 ZINC000328620204 396824057 /nfs/dbraw/zinc/82/40/57/396824057.db2.gz GUQNOLKWZHNKIM-LBPRGKRZSA-N 0 0 323.393 0.118 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)c3ccsc3)C1)C2 ZINC000328629566 396826714 /nfs/dbraw/zinc/82/67/14/396826714.db2.gz IIMRFCBZJIBDAO-UHFFFAOYSA-N 0 0 303.391 0.988 10 0 DCAERN c1nnc2n1CCN(c1cc(N[C@H]3CCCOC3)ncn1)C2 ZINC000328648990 396828108 /nfs/dbraw/zinc/82/81/08/396828108.db2.gz UVONPIAXZFFEGS-NSHDSACASA-N 0 0 301.354 0.679 10 0 DCAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)CN1CCCCC1=O ZINC000328643244 396828370 /nfs/dbraw/zinc/82/83/70/396828370.db2.gz YRCRZFTZRNNFAA-ZDUSSCGKSA-N 0 0 304.394 0.916 10 0 DCAERN NC(=O)c1noc([C@H]2CCCN2Cc2nnc(C3CC3)[nH]2)n1 ZINC000328637458 396829092 /nfs/dbraw/zinc/82/90/92/396829092.db2.gz OQFFQOHAZLSSHT-MRVPVSSYSA-N 0 0 303.326 0.501 10 0 DCAERN O=S(=O)(CC[C@@H]1CCCO1)NC[C@H]1CCn2ccnc2C1 ZINC000328639758 396829654 /nfs/dbraw/zinc/82/96/54/396829654.db2.gz XBYOFKCPQZLLNU-STQMWFEESA-N 0 0 313.423 0.934 10 0 DCAERN Cc1nccn1CCCN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328655419 396831394 /nfs/dbraw/zinc/83/13/94/396831394.db2.gz YJXQTCWMUKGUGS-NSHDSACASA-N 0 0 304.354 0.901 10 0 DCAERN C[C@H]1CC(=O)NCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000375881222 396838643 /nfs/dbraw/zinc/83/86/43/396838643.db2.gz PWORFUQLXBTUMH-LBPRGKRZSA-N 0 0 313.361 0.682 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000564758036 396864738 /nfs/dbraw/zinc/86/47/38/396864738.db2.gz HTXXXLZZZJFTKU-MNOVXSKESA-N 0 0 305.396 0.610 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000332783430 396893162 /nfs/dbraw/zinc/89/31/62/396893162.db2.gz LFROSDYSFNXAQF-IGQOVBAYSA-N 0 0 321.381 0.475 10 0 DCAERN CN(C)c1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2CO)cn1 ZINC000376313763 396908892 /nfs/dbraw/zinc/90/88/92/396908892.db2.gz JGIYGGALKJRNMW-VIFPVBQESA-N 0 0 321.349 0.538 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000376412774 396923928 /nfs/dbraw/zinc/92/39/28/396923928.db2.gz SSCYQGMWJIDXCM-NEPJUHHUSA-N 0 0 323.393 0.925 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C[C@@H](O)CC1(O)CCOCC1 ZINC000630039489 396927165 /nfs/dbraw/zinc/92/71/65/396927165.db2.gz FQIYIDAHZQQKHK-UONOGXRCSA-N 0 0 314.426 0.125 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC000333552988 396928357 /nfs/dbraw/zinc/92/83/57/396928357.db2.gz UXLMWNYCTHZAOB-IJLUTSLNSA-N 0 0 304.412 0.773 10 0 DCAERN CCc1ccccc1OCC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000376511993 396939658 /nfs/dbraw/zinc/93/96/58/396939658.db2.gz FPOAAJJIWHJEBU-INIZCTEOSA-N 0 0 317.345 0.438 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000625598216 396942806 /nfs/dbraw/zinc/94/28/06/396942806.db2.gz QQUOAFGYKJIAGD-QWRGUYRKSA-N 0 0 309.746 0.907 10 0 DCAERN COc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1C ZINC000625599657 396943620 /nfs/dbraw/zinc/94/36/20/396943620.db2.gz ZICXVBNSJSYJGD-NWDGAFQWSA-N 0 0 301.364 0.432 10 0 DCAERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cn(C)nn2)C1 ZINC000611941682 396953215 /nfs/dbraw/zinc/95/32/15/396953215.db2.gz ANMOOSIJSUYMNG-ANFZBRINSA-N 0 0 313.427 0.694 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000618312137 396956747 /nfs/dbraw/zinc/95/67/47/396956747.db2.gz HYXGZNGXWAWHNG-KGYLQXTDSA-N 0 0 316.423 0.327 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000618321325 396960735 /nfs/dbraw/zinc/96/07/35/396960735.db2.gz IKUZKEDOOWCZPJ-JKOKRWQUSA-N 0 0 316.423 0.327 10 0 DCAERN COc1cccc(OC)c1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000341853654 396983200 /nfs/dbraw/zinc/98/32/00/396983200.db2.gz TYGLNXXUFJCMOT-BXUZGUMPSA-N 0 0 306.362 0.859 10 0 DCAERN CC(C)(CNC(=O)N1CC[C@H](CC(N)=O)C1)N1CCOCC1 ZINC000376817190 396983379 /nfs/dbraw/zinc/98/33/79/396983379.db2.gz AGJBRRXENKHMEG-GFCCVEGCSA-N 0 0 312.414 0.004 10 0 DCAERN C[C@@H](OCC(=O)N1CCOC2(CCOCC2)C1)c1nccn1C ZINC000376942707 396999593 /nfs/dbraw/zinc/99/95/93/396999593.db2.gz DFBIHTHURLHGLD-CYBMUJFWSA-N 0 0 323.393 0.906 10 0 DCAERN Cn1cnc2c(c1=O)CCN(Cc1nc(-c3ccoc3)no1)C2 ZINC000571956970 397006344 /nfs/dbraw/zinc/00/63/44/397006344.db2.gz OWRYDGDVXFKETN-UHFFFAOYSA-N 0 0 313.317 0.982 10 0 DCAERN C[C@@H]1CN(C(=O)c2ocnc2C2CC2)CCN1S(C)(=O)=O ZINC000618676297 397010494 /nfs/dbraw/zinc/01/04/94/397010494.db2.gz NTFVANGOLZVVLR-SECBINFHSA-N 0 0 313.379 0.658 10 0 DCAERN Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C)n1 ZINC000618679343 397011579 /nfs/dbraw/zinc/01/15/79/397011579.db2.gz JEOXYGTVFZLBQU-LLVKDONJSA-N 0 0 311.407 0.804 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)s2)[C@@H](C)O1 ZINC000630496689 397032242 /nfs/dbraw/zinc/03/22/42/397032242.db2.gz SPWOJAMBTIHMLV-NQMVMOMDSA-N 0 0 318.420 0.825 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000376787226 396977533 /nfs/dbraw/zinc/97/75/33/396977533.db2.gz KBBFKIPQEZKRIO-GFCCVEGCSA-N 0 0 319.361 0.865 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000619023960 397065437 /nfs/dbraw/zinc/06/54/37/397065437.db2.gz SJGDIPPEDGOHSI-QJPTWQEYSA-N 0 0 304.412 0.220 10 0 DCAERN Cn1nncc1CC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000612465844 397065458 /nfs/dbraw/zinc/06/54/58/397065458.db2.gz LMUJGBINLLIWEM-ZIAGYGMSSA-N 0 0 307.398 0.117 10 0 DCAERN CC(=O)c1cccc(NC(=O)CN2CCO[C@H](CC(N)=O)C2)c1 ZINC000626077490 397069072 /nfs/dbraw/zinc/06/90/72/397069072.db2.gz LELHJVMCSACVFP-CQSZACIVSA-N 0 0 319.361 0.404 10 0 DCAERN COC(=O)CSCCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000619143929 397090363 /nfs/dbraw/zinc/09/03/63/397090363.db2.gz NOKLASZYKZGOJY-CYBMUJFWSA-N 0 0 300.380 0.021 10 0 DCAERN CCOC(=O)c1c(F)cccc1NC(=O)CN1CCOCC1=O ZINC000619223172 397099841 /nfs/dbraw/zinc/09/98/41/397099841.db2.gz FZROWDKIUXFVTF-UHFFFAOYSA-N 0 0 324.308 0.800 10 0 DCAERN Cc1cc(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)ns1 ZINC000572347220 397047728 /nfs/dbraw/zinc/04/77/28/397047728.db2.gz UJPJSBOPPMEMBS-UHFFFAOYSA-N 0 0 306.395 0.836 10 0 DCAERN O=C(c1ccccc1Cn1ccnn1)N1CCO[C@@H](CO)C1 ZINC000612626981 397107571 /nfs/dbraw/zinc/10/75/71/397107571.db2.gz RNKIYFHZMVJGOQ-CYBMUJFWSA-N 0 0 302.334 0.160 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)C1=O ZINC000619803356 397196462 /nfs/dbraw/zinc/19/64/62/397196462.db2.gz ZXMZHITUHYGMOO-XKQOKNHGSA-N 0 0 301.412 0.158 10 0 DCAERN CCN1CC[C@H](NC(=O)c2cccc(C[S@@](C)=O)c2)C1=O ZINC000619825128 397197565 /nfs/dbraw/zinc/19/75/65/397197565.db2.gz IBLUAIMXASGDIT-YEJXKQKISA-N 0 0 308.403 0.916 10 0 DCAERN CCN1CC[C@@H](NC(=O)N2CCC(CC(=O)OC)CC2)C1=O ZINC000619829356 397198689 /nfs/dbraw/zinc/19/86/89/397198689.db2.gz SYBLSPMYPCTSFZ-GFCCVEGCSA-N 0 0 311.382 0.592 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C)S(C)(=O)=O ZINC000364455370 397205761 /nfs/dbraw/zinc/20/57/61/397205761.db2.gz OIRAXJYTQWFIIQ-MMWGEVLESA-N 0 0 303.380 0.220 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000626692533 397220711 /nfs/dbraw/zinc/22/07/11/397220711.db2.gz KQKUYNRMKHUOCS-ZSBIGDGJSA-N 0 0 309.410 0.711 10 0 DCAERN CCCCCCOCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000364601324 397225650 /nfs/dbraw/zinc/22/56/50/397225650.db2.gz OXFJDVFPVMOZAO-HNNXBMFYSA-N 0 0 311.382 0.784 10 0 DCAERN O=C([C@H]1CC(c2cccnc2)=NO1)N1CCN2CCOC[C@H]2C1 ZINC000364594927 397225669 /nfs/dbraw/zinc/22/56/69/397225669.db2.gz XWMXREOQAWIEJU-UKRRQHHQSA-N 0 0 316.361 0.118 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(C)(F)C1 ZINC000626726304 397231002 /nfs/dbraw/zinc/23/10/02/397231002.db2.gz QASWYAHSIAVPRT-UHFFFAOYSA-N 0 0 301.362 0.366 10 0 DCAERN C[C@H]1CCOCCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456110 397242814 /nfs/dbraw/zinc/24/28/14/397242814.db2.gz AYHGUYQBWNYVLM-VIFPVBQESA-N 0 0 322.365 0.160 10 0 DCAERN C[C@@H]1CCOCCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000378456107 397243069 /nfs/dbraw/zinc/24/30/69/397243069.db2.gz AYHGUYQBWNYVLM-SECBINFHSA-N 0 0 322.365 0.160 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000364761834 397244223 /nfs/dbraw/zinc/24/42/23/397244223.db2.gz WJNCIESVEVKBMG-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCOCC[C@@H]2C)C1 ZINC000378486796 397245597 /nfs/dbraw/zinc/24/55/97/397245597.db2.gz DLBPMTVIAHUDNP-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN COc1cc(CC(=O)N2CCO[C@@H](c3noc(C)n3)C2)ccn1 ZINC000613337713 397246137 /nfs/dbraw/zinc/24/61/37/397246137.db2.gz XNHQUNYFBJKWTC-GFCCVEGCSA-N 0 0 318.333 0.924 10 0 DCAERN CCOC(=O)c1cnc(C)c(C(=O)N[C@@](C)(CO)COC)c1 ZINC000613534038 397274810 /nfs/dbraw/zinc/27/48/10/397274810.db2.gz HXOWKRFOROUNRT-HNNXBMFYSA-N 0 0 310.350 0.694 10 0 DCAERN CC1(C)OCC[C@@H]1CNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000620505870 397280906 /nfs/dbraw/zinc/28/09/06/397280906.db2.gz XWZYNLMZMOBFHK-SECBINFHSA-N 0 0 318.420 0.940 10 0 DCAERN Cc1ccn(C[C@](C)(O)C(=O)NCCOCC2CCC2)c(=O)c1 ZINC000574569993 397281173 /nfs/dbraw/zinc/28/11/73/397281173.db2.gz GRISOMGNYMIOLN-KRWDZBQOSA-N 0 0 322.405 0.841 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(CCO)CC(C)(C)C)cn1 ZINC000592972246 397308485 /nfs/dbraw/zinc/30/84/85/397308485.db2.gz LOBJXOBONYJRGP-UHFFFAOYSA-N 0 0 322.409 0.953 10 0 DCAERN O=C(Nc1cccc(N2CCOCC2)c1)N[C@H]1CNC(=O)C1 ZINC000574980851 397310450 /nfs/dbraw/zinc/31/04/50/397310450.db2.gz IHCRTXZKHCOGMM-GFCCVEGCSA-N 0 0 304.350 0.533 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2COCCN2)CCN1Cc1ccccc1 ZINC000396398844 397310696 /nfs/dbraw/zinc/31/06/96/397310696.db2.gz WWAXTXRKCAUYCW-HOCLYGCPSA-N 0 0 303.406 0.708 10 0 DCAERN Cc1nc(N[C@@H]2CCNC(=O)CC2)sc1S(N)(=O)=O ZINC000396717466 397311949 /nfs/dbraw/zinc/31/19/49/397311949.db2.gz SDXSVDKYSZUTEE-ZETCQYMHSA-N 0 0 304.397 0.180 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)NCCc2nnc3n2CCC3)n1 ZINC000620224308 397251972 /nfs/dbraw/zinc/25/19/72/397251972.db2.gz IKNIPZFTENLTPW-LBPRGKRZSA-N 0 0 302.382 0.958 10 0 DCAERN COc1cc(C(=O)N2CC(n3ccnn3)C2)cc(OC)c1O ZINC000378564510 397256246 /nfs/dbraw/zinc/25/62/46/397256246.db2.gz VFZNFIKTEMPLHD-UHFFFAOYSA-N 0 0 304.306 0.698 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@@H](CO)O1 ZINC000407951170 397333088 /nfs/dbraw/zinc/33/30/88/397333088.db2.gz OQXJVOXTVZTAOO-OUAUKWLOSA-N 0 0 310.316 0.621 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000407957530 397336287 /nfs/dbraw/zinc/33/62/87/397336287.db2.gz ZFMCGDLQWMBJKP-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000366131463 397340942 /nfs/dbraw/zinc/34/09/42/397340942.db2.gz CXOMUSNSSRABGM-SRVKXCTJSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC(=O)N1C ZINC000407969915 397341581 /nfs/dbraw/zinc/34/15/81/397341581.db2.gz ACDHQPCZVYYHNV-LURJTMIESA-N 0 0 320.275 0.196 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000408257969 397351336 /nfs/dbraw/zinc/35/13/36/397351336.db2.gz WUMWXXFILSLPPY-XQHKEYJVSA-N 0 0 316.423 0.847 10 0 DCAERN CN(CC(N)=O)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000408335751 397353850 /nfs/dbraw/zinc/35/38/50/397353850.db2.gz JIZJLJCCPMESOL-UHFFFAOYSA-N 0 0 303.428 0.695 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@](O)(C(F)(F)F)C2)N(C(C)=O)C1 ZINC000408445749 397356380 /nfs/dbraw/zinc/35/63/80/397356380.db2.gz ZNHJZTXWVOIRMS-HOSYDEDBSA-N 0 0 324.299 0.148 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CC[C@@](O)(C(F)(F)F)C2)N(C(C)=O)C1 ZINC000408445750 397356470 /nfs/dbraw/zinc/35/64/70/397356470.db2.gz ZNHJZTXWVOIRMS-UMNHJUIQSA-N 0 0 324.299 0.148 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408419897 397356499 /nfs/dbraw/zinc/35/64/99/397356499.db2.gz PNPRENBHFXGYHO-AXFHLTTASA-N 0 0 322.452 0.757 10 0 DCAERN CC(C)[C@@H](O)CN1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000366586675 397382920 /nfs/dbraw/zinc/38/29/20/397382920.db2.gz AMRAUYSRBRQLPE-OLZOCXBDSA-N 0 0 321.381 0.860 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@H](O)CC2)c(C2CC2)n1 ZINC000577306358 397322253 /nfs/dbraw/zinc/32/22/53/397322253.db2.gz ABIAWMRCJIEMPU-LLVKDONJSA-N 0 0 306.366 0.609 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)N[C@@H]2CC[S@](=O)C2)no1 ZINC000578406882 397431924 /nfs/dbraw/zinc/43/19/24/397431924.db2.gz JSIRHYDCGHTVQW-SQFXPLBJSA-N 0 0 300.384 0.687 10 0 DCAERN CC(=O)N(c1nc(Cn2nnn(C3CC3)c2=O)cs1)C1CC1 ZINC000578471709 397439772 /nfs/dbraw/zinc/43/97/72/397439772.db2.gz IPMUTJAXAILWOT-UHFFFAOYSA-N 0 0 320.378 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(C)CCCO)C[C@@H](c2ccccc2)O1 ZINC000460053620 397443737 /nfs/dbraw/zinc/44/37/37/397443737.db2.gz CRQQRAIGOHEEHW-HIFRSBDPSA-N 0 0 320.389 0.816 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)[C@]2(O)CCOC2)C1 ZINC000621578058 397400512 /nfs/dbraw/zinc/40/05/12/397400512.db2.gz YPAZXWBECFYWQV-DOMZBBRYSA-N 0 0 313.398 0.084 10 0 DCAERN C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000428189559 397408971 /nfs/dbraw/zinc/40/89/71/397408971.db2.gz BQINDGVBKDXDHG-IHRRRGAJSA-N 0 0 305.378 0.780 10 0 DCAERN CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)C1(C)C ZINC000578279142 397414382 /nfs/dbraw/zinc/41/43/82/397414382.db2.gz GWCHKINVXDFRKH-JHJVBQTASA-N 0 0 310.394 0.554 10 0 DCAERN CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCc2ccccc2)C1 ZINC000578778054 397483601 /nfs/dbraw/zinc/48/36/01/397483601.db2.gz GFDGAIHQKZHGET-CVEARBPZSA-N 0 0 304.390 0.965 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccnn1C(C)C ZINC000488310221 397488665 /nfs/dbraw/zinc/48/86/65/397488665.db2.gz GRFUFOUBIRZLAT-WDEREUQCSA-N 0 0 324.381 0.650 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1csnc1C ZINC000488291712 397489037 /nfs/dbraw/zinc/48/90/37/397489037.db2.gz IPEMVCIOAMXNAQ-DTWKUNHWSA-N 0 0 313.379 0.638 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1snnc1C ZINC000488146380 397486445 /nfs/dbraw/zinc/48/64/45/397486445.db2.gz HBKGGMRGWSQOLA-JGVFFNPUSA-N 0 0 314.367 0.033 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(C)nc1 ZINC000488251102 397487896 /nfs/dbraw/zinc/48/78/96/397487896.db2.gz LTTSAIAWPXBMFG-NWDGAFQWSA-N 0 0 321.377 0.505 10 0 DCAERN CC(=O)CSCC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594099195 397500325 /nfs/dbraw/zinc/50/03/25/397500325.db2.gz NNOQUMXCGQOFAR-WCFLWFBJSA-N 0 0 302.440 0.923 10 0 DCAERN CC[C@@H](NC(=O)CN1CCOCC1=O)C(=O)OC(C)(C)C ZINC000578933345 397503110 /nfs/dbraw/zinc/50/31/10/397503110.db2.gz FVKADBZMAJCGDU-SNVBAGLBSA-N 0 0 300.355 0.082 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1ccc2nccn2c1)OC ZINC000579750097 397591946 /nfs/dbraw/zinc/59/19/46/397591946.db2.gz ANIZNAPYUPDESQ-NSHDSACASA-N 0 0 306.322 0.050 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)NCC2(O)CCC2)c1 ZINC000606553138 397684041 /nfs/dbraw/zinc/68/40/41/397684041.db2.gz CHIJBWKSVCTFRF-UHFFFAOYSA-N 0 0 313.379 0.631 10 0 DCAERN CCCc1cc(N(C)C[C@@H]2CCS(=O)(=O)C2)n2ncnc2n1 ZINC000607148360 397697398 /nfs/dbraw/zinc/69/73/98/397697398.db2.gz RPQUHYJOCJRTKJ-NSHDSACASA-N 0 0 323.422 0.948 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000607974110 397711483 /nfs/dbraw/zinc/71/14/83/397711483.db2.gz KRFLBUJKTKPBNM-ZDUSSCGKSA-N 0 0 321.377 0.251 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000608763605 397754133 /nfs/dbraw/zinc/75/41/33/397754133.db2.gz LLUHWSGXTNNVOV-NDBYEHHHSA-N 0 0 300.424 0.963 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000609895603 397796290 /nfs/dbraw/zinc/79/62/90/397796290.db2.gz JYBNDRSZIKUKHP-NSHDSACASA-N 0 0 319.365 0.985 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCCS(C)(=O)=O ZINC000609889347 397796434 /nfs/dbraw/zinc/79/64/34/397796434.db2.gz KBOSEBLXHWEMSA-NSHDSACASA-N 0 0 305.396 0.754 10 0 DCAERN CCc1n[nH]cc1C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000608590899 397738703 /nfs/dbraw/zinc/73/87/03/397738703.db2.gz HWVJEOQHMUWQNQ-RTHLEPHNSA-N 0 0 305.338 0.080 10 0 DCAERN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000245744726 297097738 /nfs/dbraw/zinc/09/77/38/297097738.db2.gz XTZFXGGIZUOLAC-NEPJUHHUSA-N 0 0 302.440 0.895 10 0 DCAERN CCOCCC1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCC1 ZINC000366149799 286040505 /nfs/dbraw/zinc/04/05/05/286040505.db2.gz MSGZMKCMWQZZFG-MRXNPFEDSA-N 0 0 323.393 0.784 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)N(C)CC(C)C)CC(C)(C)O1 ZINC000408025723 292922689 /nfs/dbraw/zinc/92/26/89/292922689.db2.gz DHAMNRMZMGZFOV-LBPRGKRZSA-N 0 0 308.444 0.945 10 0 DCAERN CCOCCNC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000247103758 286095129 /nfs/dbraw/zinc/09/51/29/286095129.db2.gz ZQFHXJKJIOSDAJ-MJBXVCDLSA-N 0 0 312.410 0.945 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)O1 ZINC000408321341 296626777 /nfs/dbraw/zinc/62/67/77/296626777.db2.gz SLVNAAGSVXGLEB-UTUOFQBUSA-N 0 0 304.412 0.484 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)C12CCC2 ZINC000408051881 286272490 /nfs/dbraw/zinc/27/24/90/286272490.db2.gz JPEOKESNZZQRFX-CKEIUWERSA-N 0 0 324.421 0.824 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1CCc1ccncc1)N1CCOCC1 ZINC000299746479 304378889 /nfs/dbraw/zinc/37/88/89/304378889.db2.gz XRCSDMGNYHASEU-CABCVRRESA-N 0 0 307.369 0.895 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000189000349 286646806 /nfs/dbraw/zinc/64/68/06/286646806.db2.gz AYOITIWLBRVKEX-UHFFFAOYSA-N 0 0 306.428 0.684 10 0 DCAERN O=C(CCn1cncn1)NC1CCN(c2ccccn2)CC1 ZINC000047123365 158002937 /nfs/dbraw/zinc/00/29/37/158002937.db2.gz VJZADMSXZQKGRP-UHFFFAOYSA-N 0 0 300.366 0.848 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCCN1CCOCC1 ZINC000047465777 158003074 /nfs/dbraw/zinc/00/30/74/158003074.db2.gz FZNJGLZKEMCMNQ-UHFFFAOYSA-N 0 0 319.405 0.563 10 0 DCAERN COCCn1nc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1=O ZINC000047923637 158004074 /nfs/dbraw/zinc/00/40/74/158004074.db2.gz YJTHPZPNKKQSPS-UONOGXRCSA-N 0 0 321.377 0.673 10 0 DCAERN CCNc1nnc(SC[C@H](O)CN2CCOCC2)s1 ZINC000048430378 158005627 /nfs/dbraw/zinc/00/56/27/158005627.db2.gz VQXNZLHRIOKAQU-SECBINFHSA-N 0 0 304.441 0.755 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048671665 158006684 /nfs/dbraw/zinc/00/66/84/158006684.db2.gz UNQJVNAFMUOOID-LLVKDONJSA-N 0 0 304.318 0.864 10 0 DCAERN NC(=O)NCC(=O)NCc1cc(F)cc(Br)c1 ZINC000048832295 158008450 /nfs/dbraw/zinc/00/84/50/158008450.db2.gz JLWUGVSQUSWCTQ-UHFFFAOYSA-N 0 0 304.119 0.873 10 0 DCAERN NC(=O)[C@H]1CN(Cc2cc(Cl)cc3c2OCOC3)CCO1 ZINC000051131394 158013621 /nfs/dbraw/zinc/01/36/21/158013621.db2.gz LFGAXIBBMUEZRC-GFCCVEGCSA-N 0 0 312.753 0.893 10 0 DCAERN C[C@@]1(C(=O)NCC2(C(N)=O)CCOCC2)CC1(Cl)Cl ZINC000052743390 158017247 /nfs/dbraw/zinc/01/72/47/158017247.db2.gz FOIRPFCUIASHIS-JTQLQIEISA-N 0 0 309.193 0.969 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000053326557 158017946 /nfs/dbraw/zinc/01/79/46/158017946.db2.gz LKLCHWMTQLCRGI-JTQLQIEISA-N 0 0 321.410 0.442 10 0 DCAERN C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C(N)=O ZINC000053329742 158018812 /nfs/dbraw/zinc/01/88/12/158018812.db2.gz KNEPHGPROFNFKZ-VIFPVBQESA-N 0 0 309.391 0.590 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCNC(=O)CC1 ZINC000054257830 158019823 /nfs/dbraw/zinc/01/98/23/158019823.db2.gz QPOXNVZADXVMMX-NSHDSACASA-N 0 0 310.398 0.355 10 0 DCAERN COc1ccccc1CNC(=O)[C@H](C)N1CCNC(=O)CC1 ZINC000054259033 158020141 /nfs/dbraw/zinc/02/01/41/158020141.db2.gz XODRUJPYTJQZMC-LBPRGKRZSA-N 0 0 305.378 0.522 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000055129390 158022133 /nfs/dbraw/zinc/02/21/33/158022133.db2.gz UAPURDLYJSOEQE-GFCCVEGCSA-N 0 0 323.418 0.486 10 0 DCAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1CCCC1=O ZINC000055458656 158022524 /nfs/dbraw/zinc/02/25/24/158022524.db2.gz JNRNOXZZKBJNNW-AGIUHOORSA-N 0 0 308.378 0.942 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000060417096 158026970 /nfs/dbraw/zinc/02/69/70/158026970.db2.gz VBGFKEAUIFNENU-UHFFFAOYSA-N 0 0 306.366 0.168 10 0 DCAERN O=C(CNC(=O)NCCCN1CCCC1=O)NC1CCCCC1 ZINC000058478797 158027477 /nfs/dbraw/zinc/02/74/77/158027477.db2.gz HIPPTOOLVQWYPO-UHFFFAOYSA-N 0 0 324.425 0.747 10 0 DCAERN CCCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067314442 158039458 /nfs/dbraw/zinc/03/94/58/158039458.db2.gz DRQSULQFDIMFEQ-CQSZACIVSA-N 0 0 319.405 0.718 10 0 DCAERN CCOC(=O)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)Cc1ccccc1 ZINC000067266664 158039566 /nfs/dbraw/zinc/03/95/66/158039566.db2.gz CDLOUHRJODHHDM-KGLIPLIRSA-N 0 0 318.373 0.803 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000067197843 158039579 /nfs/dbraw/zinc/03/95/79/158039579.db2.gz BLCWOEFXYLTEAX-BXUZGUMPSA-N 0 0 305.378 0.327 10 0 DCAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCNC(=O)CC3)cn2)n1 ZINC000068257799 158041989 /nfs/dbraw/zinc/04/19/89/158041989.db2.gz CPIBLAYFSVYYDQ-UHFFFAOYSA-N 0 0 313.361 0.846 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000068099107 158042226 /nfs/dbraw/zinc/04/22/26/158042226.db2.gz ZTHXMISJXUNCHT-QWHCGFSZSA-N 0 0 317.389 0.837 10 0 DCAERN NC(=O)[C@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000075676888 158061996 /nfs/dbraw/zinc/06/19/96/158061996.db2.gz OTUIGWVNDXCORK-CQSZACIVSA-N 0 0 304.325 0.698 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1cccc(-n2cncn2)c1 ZINC000081441301 158084692 /nfs/dbraw/zinc/08/46/92/158084692.db2.gz GHXPNAOXLHJSIT-LLVKDONJSA-N 0 0 301.350 0.721 10 0 DCAERN COCCN(CCOC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083749532 158088389 /nfs/dbraw/zinc/08/83/89/158088389.db2.gz NOFFXUGHAACYAH-GFCCVEGCSA-N 0 0 311.386 0.726 10 0 DCAERN CSc1ccccc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000084796369 158088758 /nfs/dbraw/zinc/08/87/58/158088758.db2.gz ZMKPSONKVRGAGT-CQSZACIVSA-N 0 0 305.359 0.833 10 0 DCAERN CSC[C@H](CCO)NC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083734405 158089242 /nfs/dbraw/zinc/08/92/42/158089242.db2.gz NLLIBJDZBAJEJY-WDEREUQCSA-N 0 0 313.427 0.835 10 0 DCAERN Cc1ccc(NC(=O)[C@H]2CCNC(=O)C2)cc1S(C)(=O)=O ZINC000089199562 158095545 /nfs/dbraw/zinc/09/55/45/158095545.db2.gz DRUUQWCGSCSLMF-JTQLQIEISA-N 0 0 310.375 0.863 10 0 DCAERN CN(C)S(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088785018 158096061 /nfs/dbraw/zinc/09/60/61/158096061.db2.gz HGIIALVMHKVRDW-SECBINFHSA-N 0 0 305.350 0.940 10 0 DCAERN O=C(CO)N1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000089549552 158098308 /nfs/dbraw/zinc/09/83/08/158098308.db2.gz CBTHVIPSABYDHX-ZDUSSCGKSA-N 0 0 318.373 0.606 10 0 DCAERN CNC(=O)NCC(=O)N1CCN(c2ncccc2Cl)CC1 ZINC000089571099 158098387 /nfs/dbraw/zinc/09/83/87/158098387.db2.gz OLKMDAJRNGOJTJ-UHFFFAOYSA-N 0 0 311.773 0.313 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000091235809 158107446 /nfs/dbraw/zinc/10/74/46/158107446.db2.gz ASFKJYIBRFGNDO-LBPRGKRZSA-N 0 0 308.382 0.714 10 0 DCAERN COc1ccc(CCCC(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000091778838 158109817 /nfs/dbraw/zinc/10/98/17/158109817.db2.gz FBGSDDZXUZFXGN-CQSZACIVSA-N 0 0 306.362 0.731 10 0 DCAERN COc1c(C)cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C ZINC000091866214 158111271 /nfs/dbraw/zinc/11/12/71/158111271.db2.gz PWGCMNGBGLXGCM-AWEZNQCLSA-N 0 0 317.389 0.455 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000408270970 286666186 /nfs/dbraw/zinc/66/61/86/286666186.db2.gz TXQIJAIGPZMZAJ-STQMWFEESA-N 0 0 318.439 0.541 10 0 DCAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCN(C)CC2)C1 ZINC000093170035 158119070 /nfs/dbraw/zinc/11/90/70/158119070.db2.gz DJFCYYHMDAVTPY-CQSZACIVSA-N 0 0 320.441 0.251 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000096610488 158123494 /nfs/dbraw/zinc/12/34/94/158123494.db2.gz OBFCUVHZJYNRBR-SNVBAGLBSA-N 0 0 307.368 0.154 10 0 DCAERN O=C(CN1CCN(CCO)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000097472431 158125538 /nfs/dbraw/zinc/12/55/38/158125538.db2.gz YDHBESIZIROHQK-LBPRGKRZSA-N 0 0 323.359 0.397 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000105880333 158130137 /nfs/dbraw/zinc/13/01/37/158130137.db2.gz UXTDMKRNQSNOTG-STQMWFEESA-N 0 0 305.382 0.264 10 0 DCAERN CCS(=O)(=O)CCN1CCCN(Cc2noc(C)n2)CC1 ZINC000105867880 158130574 /nfs/dbraw/zinc/13/05/74/158130574.db2.gz OJKGGLQKERCKIM-UHFFFAOYSA-N 0 0 316.427 0.320 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2nncs2)C1 ZINC000109003541 158137436 /nfs/dbraw/zinc/13/74/36/158137436.db2.gz FGJVMQBAKKNFNN-ZETCQYMHSA-N 0 0 305.385 0.084 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCn2cccn2)C[C@H](C)O1 ZINC000111357286 158141246 /nfs/dbraw/zinc/14/12/46/158141246.db2.gz FCRHJHKWXSPEEC-TXEJJXNPSA-N 0 0 302.400 0.169 10 0 DCAERN C[C@H](CC1CC1)NC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000112714951 158143792 /nfs/dbraw/zinc/14/37/92/158143792.db2.gz KTCGLEXADWCHSZ-SNVBAGLBSA-N 0 0 303.428 0.898 10 0 DCAERN CCN(C(=O)NCC1(C)COC1)[C@H](C)CS(=O)(=O)CC ZINC000113392801 158147993 /nfs/dbraw/zinc/14/79/93/158147993.db2.gz MENZFLBQBVRHAN-LLVKDONJSA-N 0 0 306.428 0.878 10 0 DCAERN CN1C[C@@H](C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000114312983 158151278 /nfs/dbraw/zinc/15/12/78/158151278.db2.gz KCWXLDQZNFXIEC-JSGCOSHPSA-N 0 0 315.373 0.777 10 0 DCAERN Cc1ccn2ncc(C(=O)NC[C@H]3CN(C4CC4)CCO3)c2n1 ZINC000114856844 158157086 /nfs/dbraw/zinc/15/70/86/158157086.db2.gz DJLIDYWGODTVGV-ZDUSSCGKSA-N 0 0 315.377 0.631 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1nc(C)no1)CC2 ZINC000114868607 158159243 /nfs/dbraw/zinc/15/92/43/158159243.db2.gz HKEYFXOYWBLXJT-SNVBAGLBSA-N 0 0 304.354 0.596 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCC(=O)NC(C)C)CC2 ZINC000114921726 158159976 /nfs/dbraw/zinc/15/99/76/158159976.db2.gz JFXJTIVBTDVUIQ-LLVKDONJSA-N 0 0 322.413 0.369 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCC2CC2)CC1 ZINC000115376873 158161536 /nfs/dbraw/zinc/16/15/36/158161536.db2.gz WLSKFRZCQZNPDH-AWEZNQCLSA-N 0 0 323.437 0.568 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(-n3cncn3)c1)CC2 ZINC000115358564 158161709 /nfs/dbraw/zinc/16/17/09/158161709.db2.gz VWGAWAIWXDTQHW-ZDUSSCGKSA-N 0 0 323.360 0.912 10 0 DCAERN C[C@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116277388 158163987 /nfs/dbraw/zinc/16/39/87/158163987.db2.gz XDWBBYBVXMCOJG-HIFRSBDPSA-N 0 0 322.453 0.282 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000116831006 158167524 /nfs/dbraw/zinc/16/75/24/158167524.db2.gz QDTDXWJCMCJOEK-VIFPVBQESA-N 0 0 315.420 0.784 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2F)C1 ZINC000116891220 158168305 /nfs/dbraw/zinc/16/83/05/158168305.db2.gz LOOZLZYUDLGEBX-LLVKDONJSA-N 0 0 302.371 0.828 10 0 DCAERN O=C(NC1CCN(c2ncccn2)CC1)N1CCC[C@H]1CO ZINC000118567458 158177137 /nfs/dbraw/zinc/17/71/37/158177137.db2.gz ZQZLOFVKZOVMDL-ZDUSSCGKSA-N 0 0 305.382 0.612 10 0 DCAERN CCS(=O)(=O)CCN1CCC(c2ccnn2CCO)CC1 ZINC000118396075 158177248 /nfs/dbraw/zinc/17/72/48/158177248.db2.gz QIQXQBJHNDPWSK-UHFFFAOYSA-N 0 0 315.439 0.490 10 0 DCAERN CC[C@H](COC)NC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000118957148 158181047 /nfs/dbraw/zinc/18/10/47/158181047.db2.gz FDIKRWGMSQNFIL-MNOVXSKESA-N 0 0 311.386 0.984 10 0 DCAERN C[C@H](CN1CCCN(c2cccnn2)CC1)CS(C)(=O)=O ZINC000118967767 158181323 /nfs/dbraw/zinc/18/13/23/158181323.db2.gz JAPZZSCAWGEQBZ-CYBMUJFWSA-N 0 0 312.439 0.669 10 0 DCAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000119345459 158185222 /nfs/dbraw/zinc/18/52/22/158185222.db2.gz AVNWJTFROWTZMV-GFCCVEGCSA-N 0 0 315.377 0.609 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000120480644 158199584 /nfs/dbraw/zinc/19/95/84/158199584.db2.gz ZOPDVBOOIODEBP-VHSXEESVSA-N 0 0 300.380 0.940 10 0 DCAERN CCc1nc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cs1 ZINC000120748529 158203684 /nfs/dbraw/zinc/20/36/84/158203684.db2.gz UMLMLBZDVJQIGM-UWVGGRQHSA-N 0 0 312.395 0.538 10 0 DCAERN O=C(CNC(=O)c1cccnc1)Nc1ccc2c(c1)CC(=O)N2 ZINC000120970422 158206783 /nfs/dbraw/zinc/20/67/83/158206783.db2.gz CAWFLLKSIIGATF-UHFFFAOYSA-N 0 0 310.313 0.945 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCNC(=O)CC(C)C)CC2 ZINC000120987731 158206955 /nfs/dbraw/zinc/20/69/55/158206955.db2.gz AEFPBPLTCOSSNH-LBPRGKRZSA-N 0 0 321.425 0.824 10 0 DCAERN CCS(=O)(=O)NCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182708583 286674554 /nfs/dbraw/zinc/67/45/54/286674554.db2.gz MFAGRDOJGZRFAM-UHFFFAOYSA-N 0 0 315.399 0.661 10 0 DCAERN COCCN1CCN(C(=O)CCNC(=O)CC(C)C)C[C@@H]1C ZINC000121411459 158210632 /nfs/dbraw/zinc/21/06/32/158210632.db2.gz VIKJZOZKOZLMSF-AWEZNQCLSA-N 0 0 313.442 0.718 10 0 DCAERN CCCN(C)S(=O)(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000121507932 158211508 /nfs/dbraw/zinc/21/15/08/158211508.db2.gz CXDDQTGVKRXYBD-SNVBAGLBSA-N 0 0 301.416 0.852 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121753400 158213987 /nfs/dbraw/zinc/21/39/87/158213987.db2.gz TVPKYIRPPAXNMM-OCCSQVGLSA-N 0 0 303.424 0.963 10 0 DCAERN COC(=O)c1ccc(Cn2nc(C(N)=O)ccc2=O)cc1F ZINC000122029817 158217323 /nfs/dbraw/zinc/21/73/23/158217323.db2.gz ADGNNUDEBAMHKZ-UHFFFAOYSA-N 0 0 305.265 0.316 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C1 ZINC000122327513 158219961 /nfs/dbraw/zinc/21/99/61/158219961.db2.gz YJQRHHRGIHEEIB-STQMWFEESA-N 0 0 319.409 0.967 10 0 DCAERN CC(C)(CO)CCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000122561885 158221872 /nfs/dbraw/zinc/22/18/72/158221872.db2.gz ZSPWHRMRHFJQGP-AWEZNQCLSA-N 0 0 313.442 0.901 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123355377 158229387 /nfs/dbraw/zinc/22/93/87/158229387.db2.gz KNSLJGSPVQUMMZ-TZMCWYRMSA-N 0 0 324.402 0.886 10 0 DCAERN COC(=O)[C@H]1CN(CC(=O)NCCC(C)(C)C)C[C@@H](C)O1 ZINC000123745014 158234099 /nfs/dbraw/zinc/23/40/99/158234099.db2.gz PIJHESVDFNDVAJ-VXGBXAGGSA-N 0 0 300.399 0.801 10 0 DCAERN Cn1nccc1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC000124533283 158243623 /nfs/dbraw/zinc/24/36/23/158243623.db2.gz QMCGRYBNZAFYHW-CYBMUJFWSA-N 0 0 319.409 0.917 10 0 DCAERN CCCCOCCNC(=O)CN1CCCC[C@H]1C(=O)OC ZINC000124654607 158244862 /nfs/dbraw/zinc/24/48/62/158244862.db2.gz SZVGCJDRADOHJC-ZDUSSCGKSA-N 0 0 300.399 0.947 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)n1 ZINC000124941634 158248968 /nfs/dbraw/zinc/24/89/68/158248968.db2.gz BVZNQEQYZNKGDP-UONOGXRCSA-N 0 0 319.409 0.660 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)NCc2cscn2)co1 ZINC000125080404 158250277 /nfs/dbraw/zinc/25/02/77/158250277.db2.gz XTGXUPSANCAJBB-UHFFFAOYSA-N 0 0 315.376 0.916 10 0 DCAERN CN(CC(=O)N1CCC(c2cc[nH]n2)CC1)S(C)(=O)=O ZINC000125027175 158250611 /nfs/dbraw/zinc/25/06/11/158250611.db2.gz ZSWJZTWYXUOHIN-UHFFFAOYSA-N 0 0 300.384 0.007 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCc2cscn2)co1 ZINC000125080024 158251038 /nfs/dbraw/zinc/25/10/38/158251038.db2.gz ZPSVAZDJHKRDIP-UHFFFAOYSA-N 0 0 301.349 0.574 10 0 DCAERN CC(C)(C)n1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cn1 ZINC000125497833 158256929 /nfs/dbraw/zinc/25/69/29/158256929.db2.gz DYPZLWNAZBMQFL-UHFFFAOYSA-N 0 0 307.354 0.907 10 0 DCAERN CCC[C@@](C)(O)C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000125693562 158257855 /nfs/dbraw/zinc/25/78/55/158257855.db2.gz FQQQGMQNWSBSLH-OAHLLOKOSA-N 0 0 310.398 0.963 10 0 DCAERN O=C(Nc1ccccc1-n1cccn1)N[C@H]1CCC(=O)NC1=O ZINC000125693818 158258276 /nfs/dbraw/zinc/25/82/76/158258276.db2.gz SWYGYUMWMPHMMN-NSHDSACASA-N 0 0 313.317 0.799 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCc1csc(=O)[nH]1 ZINC000125953534 158261260 /nfs/dbraw/zinc/26/12/60/158261260.db2.gz BWDAUSYSJXOKLI-UHFFFAOYSA-N 0 0 305.359 0.791 10 0 DCAERN CCn1cc(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cn1 ZINC000126286543 158263113 /nfs/dbraw/zinc/26/31/13/158263113.db2.gz YKKZJWMOZLJPFH-ZDUSSCGKSA-N 0 0 323.397 0.908 10 0 DCAERN O=C(NCCCOCC1CC1)NC[C@]1(CCO)CCOC1 ZINC000127844249 158277148 /nfs/dbraw/zinc/27/71/48/158277148.db2.gz NBRFLGZBSXSBOK-HNNXBMFYSA-N 0 0 300.399 0.891 10 0 DCAERN Cc1nc(CN(C)CC(=O)N2CCC[C@H](C(N)=O)C2)cs1 ZINC000128553850 158281554 /nfs/dbraw/zinc/28/15/54/158281554.db2.gz WSXOZDMDJIYOGT-NSHDSACASA-N 0 0 310.423 0.607 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCCN(c3ccccn3)CC2)C1=O ZINC000129236208 158286209 /nfs/dbraw/zinc/28/62/09/158286209.db2.gz GGLDWFPSUGDUGD-CYBMUJFWSA-N 0 0 317.393 0.534 10 0 DCAERN CC[C@H](CCO)CNC(=O)CNC(=O)c1ccc(OC)cc1 ZINC000129197672 158286594 /nfs/dbraw/zinc/28/65/94/158286594.db2.gz DYYAPLDGMIDXAB-GFCCVEGCSA-N 0 0 308.378 0.950 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000132343606 158310661 /nfs/dbraw/zinc/31/06/61/158310661.db2.gz BPEUCNASGHOLQP-TZMCWYRMSA-N 0 0 305.378 0.476 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000132970969 158315296 /nfs/dbraw/zinc/31/52/96/158315296.db2.gz NWZBTRQMTPRFTQ-ZYHUDNBSSA-N 0 0 324.402 0.864 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H]2OCCC[C@@H]2C1)N1CCOCC1 ZINC000133170752 158317101 /nfs/dbraw/zinc/31/71/01/158317101.db2.gz KMBBRZKCBBOBTH-RBSFLKMASA-N 0 0 311.426 0.918 10 0 DCAERN CCS(=O)(=O)NCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000133476814 158319338 /nfs/dbraw/zinc/31/93/38/158319338.db2.gz DBSCUFHPTXERSA-VIFPVBQESA-N 0 0 304.334 0.315 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000133649805 158320519 /nfs/dbraw/zinc/32/05/19/158320519.db2.gz FDOXFEFCTFSGPO-CQSZACIVSA-N 0 0 323.368 0.451 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCc3ccc(F)cc3C2)C1 ZINC000133903537 158323667 /nfs/dbraw/zinc/32/36/67/158323667.db2.gz IAZNVHDQDQDUCX-CYBMUJFWSA-N 0 0 319.380 0.908 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)C1CCOCC1 ZINC000134933221 158331993 /nfs/dbraw/zinc/33/19/93/158331993.db2.gz FFBGQCMDTSTJSB-ZFWWWQNUSA-N 0 0 311.426 0.918 10 0 DCAERN CCC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000135080301 158334143 /nfs/dbraw/zinc/33/41/43/158334143.db2.gz GUTMABIRHSGEQT-STQMWFEESA-N 0 0 310.398 0.307 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135367786 158336184 /nfs/dbraw/zinc/33/61/84/158336184.db2.gz USGXVJNTTTVFPY-ONGXEEELSA-N 0 0 323.422 0.713 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@H]1CCCc2n[nH]cc21 ZINC000135574117 158338526 /nfs/dbraw/zinc/33/85/26/158338526.db2.gz MMKXEVFBASNJKK-STQMWFEESA-N 0 0 304.394 0.809 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CSC(=O)N1)CC2 ZINC000136842284 158344271 /nfs/dbraw/zinc/34/42/71/158344271.db2.gz SRNUHZPWRLGBRC-RKDXNWHRSA-N 0 0 309.395 0.658 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@@H](C)[C@@H]1C)CC2 ZINC000140814950 158347133 /nfs/dbraw/zinc/34/71/33/158347133.db2.gz PSQZYDASEIFSGO-SDDRHHMPSA-N 0 0 307.398 0.974 10 0 DCAERN COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000155707708 158351003 /nfs/dbraw/zinc/35/10/03/158351003.db2.gz ZBVFCXRRNFFMJN-AAEUAGOBSA-N 0 0 304.346 0.713 10 0 DCAERN CC(C)CN(CC(N)=O)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000159316837 158353497 /nfs/dbraw/zinc/35/34/97/158353497.db2.gz VUVPAAPPSOEESN-UHFFFAOYSA-N 0 0 318.420 0.735 10 0 DCAERN C[C@@H]1CO[C@H](CO)CN1CC(=O)Nc1cc(F)cc(F)c1 ZINC000167847565 158369532 /nfs/dbraw/zinc/36/95/32/158369532.db2.gz MFFALDRXWILVTL-RNCFNFMXSA-N 0 0 300.305 0.985 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000167583133 158369837 /nfs/dbraw/zinc/36/98/37/158369837.db2.gz VMMHWHWGMYRZRH-AAEUAGOBSA-N 0 0 314.407 0.964 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCN(c2cccnn2)CC1 ZINC000170650399 158374497 /nfs/dbraw/zinc/37/44/97/158374497.db2.gz ANCBRDUQEAPYNL-UHFFFAOYSA-N 0 0 320.397 0.080 10 0 DCAERN CCn1c(C)nnc1CN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000170778122 158376989 /nfs/dbraw/zinc/37/69/89/158376989.db2.gz XIKCSRDJNFMZNS-CQSZACIVSA-N 0 0 321.425 0.820 10 0 DCAERN CS(=O)(=O)N1CCCN(Cc2cn3ccsc3n2)CC1 ZINC000171076519 158379191 /nfs/dbraw/zinc/37/91/91/158379191.db2.gz ZWMUQFSGVVCAJI-UHFFFAOYSA-N 0 0 314.436 0.863 10 0 DCAERN Cc1noc(CCNC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)n1 ZINC000171761728 158386549 /nfs/dbraw/zinc/38/65/49/158386549.db2.gz QQOLMQMOULTQHC-TZMCWYRMSA-N 0 0 302.334 0.878 10 0 DCAERN O=C(NCCCN1CCOCC1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171745326 158386646 /nfs/dbraw/zinc/38/66/46/158386646.db2.gz ZTBWPTLTLVRLGE-CVEARBPZSA-N 0 0 319.405 0.666 10 0 DCAERN CC1(CNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)COC1 ZINC000171856442 158387893 /nfs/dbraw/zinc/38/78/93/158387893.db2.gz NZPAJYRHDMQBIV-ZDUSSCGKSA-N 0 0 309.410 0.971 10 0 DCAERN O=C(Nc1nncs1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171836678 158387899 /nfs/dbraw/zinc/38/78/99/158387899.db2.gz NEQFFHVGAWSSIU-YFKPBYRVSA-N 0 0 309.273 0.823 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c(=O)[nH]1 ZINC000172352650 158394169 /nfs/dbraw/zinc/39/41/69/158394169.db2.gz FADZJUVZZGFIHK-OCZCAGDBSA-N 0 0 319.405 0.939 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@H]1COc2ccccc2C1 ZINC000172512562 158395016 /nfs/dbraw/zinc/39/50/16/158395016.db2.gz IWAFJSCSUBZAAV-CYBMUJFWSA-N 0 0 311.341 0.931 10 0 DCAERN CN1CCN(C(=O)NCC[C@@H]2c3ccccc3NC2=O)CC1=O ZINC000172594531 158396294 /nfs/dbraw/zinc/39/62/94/158396294.db2.gz AQRPIRDTLJHULV-GFCCVEGCSA-N 0 0 316.361 0.596 10 0 DCAERN O=C(NCCc1ccccc1O)N[C@H]1CCc2ncnn2C1 ZINC000172604796 158396867 /nfs/dbraw/zinc/39/68/67/158396867.db2.gz FPMDLKHMXZTPRW-LBPRGKRZSA-N 0 0 301.350 0.840 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 ZINC000172671101 158397832 /nfs/dbraw/zinc/39/78/32/158397832.db2.gz BBVGCFDMOORBEY-UHFFFAOYSA-N 0 0 317.324 0.834 10 0 DCAERN CNC(=O)c1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000172742461 158398179 /nfs/dbraw/zinc/39/81/79/158398179.db2.gz DPJLIYMMRCVIDU-HNNXBMFYSA-N 0 0 317.389 0.593 10 0 DCAERN CCN1CCO[C@H](C(=O)NCCCc2nc(C(C)C)no2)C1 ZINC000172721495 158398236 /nfs/dbraw/zinc/39/82/36/158398236.db2.gz HFGXAAYWDQOLCC-LBPRGKRZSA-N 0 0 310.398 0.963 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172747979 158398934 /nfs/dbraw/zinc/39/89/34/158398934.db2.gz RFCWLIOWFSXODT-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN Cn1nccc1CNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173060964 158403043 /nfs/dbraw/zinc/40/30/43/158403043.db2.gz PZQQKBNDDVKHLQ-UHFFFAOYSA-N 0 0 311.139 0.801 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000173478168 158406251 /nfs/dbraw/zinc/40/62/51/158406251.db2.gz PADMARHXQBZAKJ-VIFPVBQESA-N 0 0 311.411 0.680 10 0 DCAERN COC(C)(C)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000178237293 158455393 /nfs/dbraw/zinc/45/53/93/158455393.db2.gz AYUAMTWUWLWVEZ-LLVKDONJSA-N 0 0 304.412 0.438 10 0 DCAERN O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@@H]1CN2CCN1CC2 ZINC000178618262 158460355 /nfs/dbraw/zinc/46/03/55/158460355.db2.gz ZSPFCIVYNGKCJK-WPTTZPOMSA-N 0 0 313.401 0.751 10 0 DCAERN Cc1ccc(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)nc1 ZINC000181566013 158486800 /nfs/dbraw/zinc/48/68/00/158486800.db2.gz NPWBKGPZGSHZMZ-GFCCVEGCSA-N 0 0 303.362 0.896 10 0 DCAERN Cn1cnn(CC(=O)NCCOc2ccc(F)cc2F)c1=O ZINC000181628166 158487005 /nfs/dbraw/zinc/48/70/05/158487005.db2.gz RYSAZCAMKLHILE-UHFFFAOYSA-N 0 0 312.276 0.055 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000182880808 158494312 /nfs/dbraw/zinc/49/43/12/158494312.db2.gz PNNKWYNEXFITNW-MLGOLLRUSA-N 0 0 314.426 0.975 10 0 DCAERN Cn1ccnc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1=O ZINC000183789584 158502268 /nfs/dbraw/zinc/50/22/68/158502268.db2.gz NIKJRTQKMVYDLN-NWDGAFQWSA-N 0 0 300.318 0.560 10 0 DCAERN CNC(=O)CC(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186299354 158529797 /nfs/dbraw/zinc/52/97/97/158529797.db2.gz HPZFLEMSJUXYEY-LLVKDONJSA-N 0 0 312.391 0.410 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186397088 158530879 /nfs/dbraw/zinc/53/08/79/158530879.db2.gz OWRNKZRAOXORSY-UHFFFAOYSA-N 0 0 311.407 0.555 10 0 DCAERN Cc1nc2c(cnn2C)c(N2CC(NC(=O)C3CCC3)C2)n1 ZINC000186460040 158531089 /nfs/dbraw/zinc/53/10/89/158531089.db2.gz ZSFHRLPEPASEBG-UHFFFAOYSA-N 0 0 300.366 0.777 10 0 DCAERN COc1cccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000186695503 158534129 /nfs/dbraw/zinc/53/41/29/158534129.db2.gz WCGCQMVFVVHDLL-UHFFFAOYSA-N 0 0 304.350 0.510 10 0 DCAERN C=CC(=O)NCc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000188084955 158542369 /nfs/dbraw/zinc/54/23/69/158542369.db2.gz HNYXLPPYBGJYHL-GFCCVEGCSA-N 0 0 315.373 0.839 10 0 DCAERN Cc1cc(C(=O)N2CCCNC(=O)[C@H]2C)c2cnn(C)c2n1 ZINC000188886134 158548791 /nfs/dbraw/zinc/54/87/91/158548791.db2.gz MYHAMJLVVKNRGM-SNVBAGLBSA-N 0 0 301.350 0.627 10 0 DCAERN Cn1ncnc1NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189214935 158550363 /nfs/dbraw/zinc/55/03/63/158550363.db2.gz OBVICIQHMHVYRN-UHFFFAOYSA-N 0 0 316.369 0.770 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)n[nH]1 ZINC000189742274 158555236 /nfs/dbraw/zinc/55/52/36/158555236.db2.gz PVHVPCIRYNMKOA-GFCCVEGCSA-N 0 0 305.382 0.235 10 0 DCAERN CCN1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1=O ZINC000190551636 158561589 /nfs/dbraw/zinc/56/15/89/158561589.db2.gz RMVCONRDPNTPGA-NSHDSACASA-N 0 0 305.309 0.900 10 0 DCAERN CCN1CN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1=O ZINC000191841004 158571205 /nfs/dbraw/zinc/57/12/05/158571205.db2.gz QPJWKOCKFXWVNG-UHFFFAOYSA-N 0 0 308.382 0.685 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)COC)CC1 ZINC000193635818 158588143 /nfs/dbraw/zinc/58/81/43/158588143.db2.gz PBYRPOWOOGJZCA-NSHDSACASA-N 0 0 306.428 0.541 10 0 DCAERN CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCC(F)(F)F ZINC000213814455 158613082 /nfs/dbraw/zinc/61/30/82/158613082.db2.gz KLKNALVDPLOTJA-QMMMGPOBSA-N 0 0 302.318 0.869 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246242041 158660784 /nfs/dbraw/zinc/66/07/84/158660784.db2.gz GHBZCXYXZOSRJM-WUHRBBMRSA-N 0 0 307.394 0.864 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCO1 ZINC000248460684 158692533 /nfs/dbraw/zinc/69/25/33/158692533.db2.gz WSDIGFOTWOSQGV-CBBWQLFWSA-N 0 0 315.373 0.481 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000262691661 158833941 /nfs/dbraw/zinc/83/39/41/158833941.db2.gz AMLCRWZFTIHWIU-JTQLQIEISA-N 0 0 303.353 0.701 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C3CC3)C(=O)C2)C1 ZINC000328657507 159017551 /nfs/dbraw/zinc/01/75/51/159017551.db2.gz PDIKQIJVERJKRE-LLVKDONJSA-N 0 0 308.382 0.067 10 0 DCAERN CS(=O)(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328651514 159017739 /nfs/dbraw/zinc/01/77/39/159017739.db2.gz JWIWNNYTBKBBCO-QWRGUYRKSA-N 0 0 302.396 0.779 10 0 DCAERN CN1C[C@H](C(=O)N2CCN[C@H](c3cccc(F)c3)C2)CC1=O ZINC000328653734 159018047 /nfs/dbraw/zinc/01/80/47/159018047.db2.gz LHRSKVAWWAYAPH-OCCSQVGLSA-N 0 0 305.353 0.777 10 0 DCAERN Cc1cnn(C[C@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)c1 ZINC000328672394 159019356 /nfs/dbraw/zinc/01/93/56/159019356.db2.gz OGPBFLYMHCSIDI-CABCVRRESA-N 0 0 304.394 0.656 10 0 DCAERN O=C(COc1ccccc1O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000328684191 159020424 /nfs/dbraw/zinc/02/04/24/159020424.db2.gz POCUKPTXFDQVDC-CQSZACIVSA-N 0 0 305.330 0.978 10 0 DCAERN Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000328692807 159021437 /nfs/dbraw/zinc/02/14/37/159021437.db2.gz FMCCRCDYDWEEJN-GFCCVEGCSA-N 0 0 305.382 0.666 10 0 DCAERN CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)CC1 ZINC000328687069 159021652 /nfs/dbraw/zinc/02/16/52/159021652.db2.gz GSMYFUSYLUDJQK-UHFFFAOYSA-N 0 0 318.425 0.818 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCOC[C@]12CCOC2 ZINC000328708003 159023190 /nfs/dbraw/zinc/02/31/90/159023190.db2.gz MCIJLNKUBYWXTL-SMDDNHRTSA-N 0 0 314.407 0.316 10 0 DCAERN COc1cccc(CC(=O)N2CC[C@H](N3CCCC3=O)C2)n1 ZINC000328740020 159025807 /nfs/dbraw/zinc/02/58/07/159025807.db2.gz IHFGHWGVTSDZGL-ZDUSSCGKSA-N 0 0 303.362 0.856 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1 ZINC000328748235 159026206 /nfs/dbraw/zinc/02/62/06/159026206.db2.gz QKCWMKNOHJGQHL-FRRDWIJNSA-N 0 0 315.439 0.706 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCC[C@H](n3cncn3)C2)no1 ZINC000328853728 159034810 /nfs/dbraw/zinc/03/48/10/159034810.db2.gz CFDVHILKKFALMU-LBPRGKRZSA-N 0 0 311.367 0.741 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N1CCN(C2CC2)CC1 ZINC000328852030 159035424 /nfs/dbraw/zinc/03/54/24/159035424.db2.gz ZXOPQGPYXJEINW-UHFFFAOYSA-N 0 0 314.349 0.533 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1C1CC1 ZINC000328903268 159038733 /nfs/dbraw/zinc/03/87/33/159038733.db2.gz HQYDKMZWIQTVEZ-GJZGRUSLSA-N 0 0 304.394 0.843 10 0 DCAERN O=C(N1CCSCC1)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000329032112 159054208 /nfs/dbraw/zinc/05/42/08/159054208.db2.gz BGSXAAVYRCDFKC-CYBMUJFWSA-N 0 0 311.411 0.274 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C2CC2)CC1 ZINC000329058332 159056577 /nfs/dbraw/zinc/05/65/77/159056577.db2.gz UAVVDAVQNHDCHU-JTQLQIEISA-N 0 0 322.438 0.795 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329093043 159061027 /nfs/dbraw/zinc/06/10/27/159061027.db2.gz XIRSAORKBFWMSZ-NSHDSACASA-N 0 0 310.383 0.173 10 0 DCAERN Cc1cnc(COCC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)o1 ZINC000329117065 159064368 /nfs/dbraw/zinc/06/43/68/159064368.db2.gz UHQDVYADXLAYBI-CHWSQXEVSA-N 0 0 309.366 0.431 10 0 DCAERN Cc1nccn1-c1cncc(N2CCCS(=O)(=O)CC2)n1 ZINC000329135085 159065210 /nfs/dbraw/zinc/06/52/10/159065210.db2.gz GFDARZUMFGESMH-UHFFFAOYSA-N 0 0 307.379 0.596 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H](n3cccn3)C2)C1 ZINC000329146904 159067761 /nfs/dbraw/zinc/06/77/61/159067761.db2.gz XKHFGGYQZHFXSB-GOEBONIOSA-N 0 0 320.393 0.420 10 0 DCAERN C[C@@H]1CCN(C(=O)c2cncc(N3CCOCC3)c2)C[C@H]1O ZINC000329168299 159069936 /nfs/dbraw/zinc/06/99/36/159069936.db2.gz IYRXHVNTNWOMLM-IUODEOHRSA-N 0 0 305.378 0.761 10 0 DCAERN O=C(NCC1(CO)COC1)c1nc(C2CC2)n2ccccc12 ZINC000329171959 159070567 /nfs/dbraw/zinc/07/05/67/159070567.db2.gz KUFQWWZBSYZUDX-UHFFFAOYSA-N 0 0 301.346 0.950 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)CCS1(=O)=O ZINC000329268574 159077691 /nfs/dbraw/zinc/07/76/91/159077691.db2.gz GPSVNZRTRNXXME-SECBINFHSA-N 0 0 308.363 0.227 10 0 DCAERN Cc1cc(N2CCC[C@H](N3C(=O)[C@H](C)N(C)C3=O)C2=O)n(C)n1 ZINC000329276111 159078059 /nfs/dbraw/zinc/07/80/59/159078059.db2.gz IWXZJWBRBLVWIM-QWRGUYRKSA-N 0 0 319.365 0.506 10 0 DCAERN O=C(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-n2cncn2)cc1 ZINC000329269686 159078287 /nfs/dbraw/zinc/07/82/87/159078287.db2.gz FGIHJBDIMIJSSZ-LBPRGKRZSA-N 0 0 320.374 0.574 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329290630 159080098 /nfs/dbraw/zinc/08/00/98/159080098.db2.gz QNGIHWRVMFHQHQ-GFCCVEGCSA-N 0 0 311.349 0.873 10 0 DCAERN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)[C@@H]4CC[C@H](C(=O)N(C)C)O4)[C@H]1[C@H]3C2 ZINC000329305206 159081157 /nfs/dbraw/zinc/08/11/57/159081157.db2.gz OQPRKOBQLJISBS-UDSBVESLSA-N 0 0 322.405 0.504 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)CCS1(=O)=O ZINC000329408443 159089626 /nfs/dbraw/zinc/08/96/26/159089626.db2.gz CLKKEWRIBVMQAJ-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)nn1 ZINC000329466730 159095852 /nfs/dbraw/zinc/09/58/52/159095852.db2.gz VTMVQEOFPDOZPJ-AAVRWANBSA-N 0 0 324.381 0.240 10 0 DCAERN O=C([C@@H]1COCCN1CC(F)F)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329515752 159098925 /nfs/dbraw/zinc/09/89/25/159098925.db2.gz ORUQSHAKEJNJOS-WHOHXGKFSA-N 0 0 304.337 0.182 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1(=O)=O ZINC000329518232 159098967 /nfs/dbraw/zinc/09/89/67/159098967.db2.gz DYCFDZNAWDUOMB-VIFPVBQESA-N 0 0 308.363 0.227 10 0 DCAERN Cc1nc(CN2CCN(C(=O)Cc3cncnc3)CC2)oc1C ZINC000329601236 159105690 /nfs/dbraw/zinc/10/56/90/159105690.db2.gz XMXOYIRXBGTTAP-UHFFFAOYSA-N 0 0 315.377 0.968 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000329591339 159105925 /nfs/dbraw/zinc/10/59/25/159105925.db2.gz YWAVSHOLECNURM-CDGCEXEKSA-N 0 0 308.382 0.983 10 0 DCAERN O=C(CS(=O)(=O)CC1CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329654937 159109572 /nfs/dbraw/zinc/10/95/72/159109572.db2.gz LXEJQIVAZVUTRS-OLZOCXBDSA-N 0 0 301.408 0.981 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCO[C@H](C)[C@@H]2C)nn1 ZINC000329663011 159109801 /nfs/dbraw/zinc/10/98/01/159109801.db2.gz PRJHFOYJNFXUSI-XKAARJIMSA-N 0 0 310.354 0.114 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCNC(=O)[C@H]2C(C)C)n1C ZINC000329734388 159115689 /nfs/dbraw/zinc/11/56/89/159115689.db2.gz KGSCZLOVVCQQDM-CQSZACIVSA-N 0 0 322.413 0.379 10 0 DCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000248658166 298232943 /nfs/dbraw/zinc/23/29/43/298232943.db2.gz FWYLQTQMBSCWRS-HTQZYQBOSA-N 0 0 323.358 0.776 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)CC3CCOCC3)CCO2)n1 ZINC000329770915 159118055 /nfs/dbraw/zinc/11/80/55/159118055.db2.gz JFBDCMXRRKYAAH-OAHLLOKOSA-N 0 0 322.409 0.939 10 0 DCAERN CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)[C@@H]1CCOC1 ZINC000329923825 159129348 /nfs/dbraw/zinc/12/93/48/159129348.db2.gz IRIYJPARZXRMFA-KFWWJZLASA-N 0 0 322.405 0.675 10 0 DCAERN O=C(CN1CCn2ncnc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329940379 159130523 /nfs/dbraw/zinc/13/05/23/159130523.db2.gz BOTXESCGOOBRCO-STQMWFEESA-N 0 0 305.382 0.264 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H](C)N2CCOCC2)C[C@]2(CCOC2)O1 ZINC000330068183 159139398 /nfs/dbraw/zinc/13/93/98/159139398.db2.gz VDMDOCZVHAELHW-FMKPAKJESA-N 0 0 312.410 0.504 10 0 DCAERN COc1cccc(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000330136071 159144949 /nfs/dbraw/zinc/14/49/49/159144949.db2.gz TXWOLQPOHAYMHZ-UKRRQHHQSA-N 0 0 319.405 0.812 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC[C@](C)(O)C2)cn1 ZINC000330157682 159146372 /nfs/dbraw/zinc/14/63/72/159146372.db2.gz PNRGMSFEGPQVAC-LZWOXQAQSA-N 0 0 323.393 0.590 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2C[C@@H](OC)[C@H](OC)C2)cn1 ZINC000330178962 159148024 /nfs/dbraw/zinc/14/80/24/159148024.db2.gz FAUKMTUTNDQONF-GBJTYRQASA-N 0 0 323.393 0.853 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)[C@H]2CCCN2C2CC2)n1 ZINC000330218283 159151859 /nfs/dbraw/zinc/15/18/59/159151859.db2.gz JEWAJOVBPAQQBJ-YNEHKIRRSA-N 0 0 306.366 0.639 10 0 DCAERN CC(C)N1C[C@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330276194 159155982 /nfs/dbraw/zinc/15/59/82/159155982.db2.gz MNMROUADJWMOCP-BXKDBHETSA-N 0 0 305.338 0.227 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000330320947 159159649 /nfs/dbraw/zinc/15/96/49/159159649.db2.gz RYVIJROJSCFBGZ-JQWIXIFHSA-N 0 0 303.366 0.757 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCOCC2)cn1 ZINC000330362327 159163597 /nfs/dbraw/zinc/16/35/97/159163597.db2.gz ZKRKDUFODNILSX-UONOGXRCSA-N 0 0 309.366 0.466 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000330584283 159197233 /nfs/dbraw/zinc/19/72/33/159197233.db2.gz SUINWOOENMTUDT-GFCCVEGCSA-N 0 0 307.375 0.954 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332754728 159212268 /nfs/dbraw/zinc/21/22/68/159212268.db2.gz JRAUZALKRCWTMJ-RWMBFGLXSA-N 0 0 321.381 0.466 10 0 DCAERN C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)[C@@H]2C1 ZINC000332843356 159215619 /nfs/dbraw/zinc/21/56/19/159215619.db2.gz OUQPPLORPIPNMC-MBNYWOFBSA-N 0 0 306.410 0.485 10 0 DCAERN C[C@@H](NC(=O)CN1CCO[C@H](C2CC2)C1)C(=O)N1CCCCC1 ZINC000332971576 159218135 /nfs/dbraw/zinc/21/81/35/159218135.db2.gz YZWURPPRCDQDFP-HIFRSBDPSA-N 0 0 323.437 0.614 10 0 DCAERN CCNC(=O)[C@@H](C)NC(=O)N[C@H](C)c1noc(COCC)n1 ZINC000358479100 159255466 /nfs/dbraw/zinc/25/54/66/159255466.db2.gz OJUVBBFLJDZTLX-RKDXNWHRSA-N 0 0 313.358 0.491 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCS[C@@H](C)C2)n1 ZINC000359248914 159256093 /nfs/dbraw/zinc/25/60/93/159256093.db2.gz UURYZTFLAYIRKE-NSHDSACASA-N 0 0 323.418 0.713 10 0 DCAERN Cc1cc2c(cc1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CO)OCO2 ZINC000366860779 159293518 /nfs/dbraw/zinc/29/35/18/159293518.db2.gz CQHRMUOWXCMVCN-VHSXEESVSA-N 0 0 317.338 0.817 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN[C@@H](c3ccncc3)C2)C1 ZINC000367083967 159311888 /nfs/dbraw/zinc/31/18/88/159311888.db2.gz KCMUQPZIXIHBOV-DZGCQCFKSA-N 0 0 316.405 0.813 10 0 DCAERN CN(C)S(=O)(=O)CCN1CCCC[C@H]1c1ccnn1C ZINC000367151344 159317085 /nfs/dbraw/zinc/31/70/85/159317085.db2.gz OQEKIBGCXFYUGS-ZDUSSCGKSA-N 0 0 300.428 0.839 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1 ZINC000367493565 159341302 /nfs/dbraw/zinc/34/13/02/159341302.db2.gz SQBWFQWPCDZUHU-LLVKDONJSA-N 0 0 304.350 0.741 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367826426 159357619 /nfs/dbraw/zinc/35/76/19/159357619.db2.gz NPTSJJQUYNLLGT-GFCCVEGCSA-N 0 0 324.299 0.151 10 0 DCAERN Cc1c[nH][nH]c1=NC(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000367870063 159362080 /nfs/dbraw/zinc/36/20/80/159362080.db2.gz UVFUFKSFQVLBFZ-UHFFFAOYSA-N 0 0 301.285 0.926 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CN2CCc3ccc(CO)cc32)C1 ZINC000368479872 159397105 /nfs/dbraw/zinc/39/71/05/159397105.db2.gz XHMAULVAXITNSY-CYBMUJFWSA-N 0 0 310.419 0.823 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CN2CCOCC2=O)C12CCCC2 ZINC000369085723 159435325 /nfs/dbraw/zinc/43/53/25/159435325.db2.gz SQJGJPQGOXKART-CHWSQXEVSA-N 0 0 310.394 0.699 10 0 DCAERN C[C@](O)(CC(=O)N1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000369387377 159454670 /nfs/dbraw/zinc/45/46/70/159454670.db2.gz BWBIWCCSEMMVCP-RDJZCZTQSA-N 0 0 304.390 0.827 10 0 DCAERN O=C(NC[C@H](O)C1CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000370473380 159521677 /nfs/dbraw/zinc/52/16/77/159521677.db2.gz SDZXTHWIHHVUCK-STQMWFEESA-N 0 0 312.435 0.965 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000373027872 159656837 /nfs/dbraw/zinc/65/68/37/159656837.db2.gz WZLOTKIQZSRQDX-JHJVBQTASA-N 0 0 317.407 0.769 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C12CCCC2 ZINC000373016466 159656854 /nfs/dbraw/zinc/65/68/54/159656854.db2.gz WWWXVVNRFLRIAM-XGUBFFRZSA-N 0 0 324.421 0.822 10 0 DCAERN O=S(=O)([C@H]1CCCN(Cc2cc[nH]n2)C1)N1CCOCC1 ZINC000374811535 159753481 /nfs/dbraw/zinc/75/34/81/159753481.db2.gz YFWFCXBQEJCSND-ZDUSSCGKSA-N 0 0 314.411 0.036 10 0 DCAERN O=C(c1cncc(-n2ccnn2)c1)N1CC(F)(F)C[C@H]1CO ZINC000374830814 159754038 /nfs/dbraw/zinc/75/40/38/159754038.db2.gz SZNANLVBOSNAFH-NSHDSACASA-N 0 0 309.276 0.504 10 0 DCAERN COCCCNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374834994 159755126 /nfs/dbraw/zinc/75/51/26/159755126.db2.gz VALKLQZKFVRABB-QWHCGFSZSA-N 0 0 300.399 0.890 10 0 DCAERN CC(=O)c1cn(Cc2cccc(-n3cccn3)c2)c(=O)n(C)c1=O ZINC000376536284 159863744 /nfs/dbraw/zinc/86/37/44/159863744.db2.gz VGGUFBASNBDVCY-UHFFFAOYSA-N 0 0 324.340 0.984 10 0 DCAERN NC(=O)COc1ccccc1C(=O)N1CCCC[C@@H](CO)C1 ZINC000378206587 159969372 /nfs/dbraw/zinc/96/93/72/159969372.db2.gz QBTZCZSYFBORBD-GFCCVEGCSA-N 0 0 306.362 0.785 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CC2)n1 ZINC000407963706 159997673 /nfs/dbraw/zinc/99/76/73/159997673.db2.gz IGKULYQSXUYNSQ-UHIISALHSA-N 0 0 308.382 0.836 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC(=O)N1C ZINC000407971606 160000129 /nfs/dbraw/zinc/00/01/29/160000129.db2.gz PYPLXMQSFKWAFN-WCQYABFASA-N 0 0 307.394 0.324 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000407970713 160000252 /nfs/dbraw/zinc/00/02/52/160000252.db2.gz LSMKIPKDMKHRQI-STQMWFEESA-N 0 0 309.410 0.714 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)c2cnn(C(C)(C)C)c2)CC(=O)N1C ZINC000407973884 160000816 /nfs/dbraw/zinc/00/08/16/160000816.db2.gz ZGFICWOVJZUHHO-SNVBAGLBSA-N 0 0 306.366 0.510 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C ZINC000407976404 160000914 /nfs/dbraw/zinc/00/09/14/160000914.db2.gz ZQUVFOOQZJNISM-OLZOCXBDSA-N 0 0 306.410 0.747 10 0 DCAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000407979254 160001219 /nfs/dbraw/zinc/00/12/19/160001219.db2.gz UQHXUXJHUVDSPY-TZMCWYRMSA-N 0 0 312.410 0.801 10 0 DCAERN Cc1n[nH]c(=O)c(C(=O)N2CCN(CC(F)F)CC2)c1C ZINC000407982382 160002773 /nfs/dbraw/zinc/00/27/73/160002773.db2.gz YGZOADLMJBWDEH-UHFFFAOYSA-N 0 0 300.309 0.822 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000407987341 160003163 /nfs/dbraw/zinc/00/31/63/160003163.db2.gz CJRDDRQUYHSMID-INIZCTEOSA-N 0 0 307.394 0.374 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H]2CSCN2C(C)=O)CC1 ZINC000407988094 160003610 /nfs/dbraw/zinc/00/36/10/160003610.db2.gz CBVXYNWUCFJEEZ-LLVKDONJSA-N 0 0 300.380 0.319 10 0 DCAERN NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CC[C@@H](O)C1 ZINC000407994237 160006355 /nfs/dbraw/zinc/00/63/55/160006355.db2.gz AWIFVUMZSBHJRY-RXMQYKEDSA-N 0 0 310.784 0.256 10 0 DCAERN CN1C[C@H](NC(=O)C2CCN(CC(F)(F)F)CC2)CCC1=O ZINC000407995168 160006558 /nfs/dbraw/zinc/00/65/58/160006558.db2.gz GPNVHNUKAZZSSQ-LLVKDONJSA-N 0 0 321.343 0.998 10 0 DCAERN COC(=O)C12CCC(C(=O)N[C@@H]3CCCNC3=O)(CC1)CC2 ZINC000407998931 160006916 /nfs/dbraw/zinc/00/69/16/160006916.db2.gz UQYBOSVEINQIFC-VHWKEVPUSA-N 0 0 308.378 0.895 10 0 DCAERN Cn1c(=O)cccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408004717 160008575 /nfs/dbraw/zinc/00/85/75/160008575.db2.gz MWYIHTPPQKAGOW-LBPRGKRZSA-N 0 0 304.268 0.915 10 0 DCAERN CN1CCO[C@H]2CCN(S(=O)(=O)c3cncc(F)c3)C[C@@H]21 ZINC000408016077 160012370 /nfs/dbraw/zinc/01/23/70/160012370.db2.gz HRZTYAPEMPCRIK-STQMWFEESA-N 0 0 315.370 0.314 10 0 DCAERN COCC[C@H](C)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000408018269 160012994 /nfs/dbraw/zinc/01/29/94/160012994.db2.gz ZPHMFMYAFMVJJR-RWMBFGLXSA-N 0 0 306.428 0.146 10 0 DCAERN C[C@@H]1CCCN(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)[C@@H]1CO ZINC000408020173 160013639 /nfs/dbraw/zinc/01/36/39/160013639.db2.gz ZHPOCGRCDWSNHX-IJLUTSLNSA-N 0 0 304.412 0.318 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000408022114 160014233 /nfs/dbraw/zinc/01/42/33/160014233.db2.gz RCXOBYGHMGUEHZ-KWQFWETISA-N 0 0 306.366 0.332 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408027169 160015180 /nfs/dbraw/zinc/01/51/80/160015180.db2.gz LXBFXDGPGSLBIF-NDBYEHHHSA-N 0 0 322.427 0.076 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408029280 160015476 /nfs/dbraw/zinc/01/54/76/160015476.db2.gz HLLNXGNREQPXIR-NWDGAFQWSA-N 0 0 309.366 0.488 10 0 DCAERN COC1CCN(C(=O)N2CCOC[C@H]2c2nc(C)no2)CC1 ZINC000408027368 160016105 /nfs/dbraw/zinc/01/61/05/160016105.db2.gz KTBLQNSIWNXWCU-LBPRGKRZSA-N 0 0 310.354 0.982 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000408029699 160016117 /nfs/dbraw/zinc/01/61/17/160016117.db2.gz XZVPIWQPOJFQTE-XQQFMLRXSA-N 0 0 307.412 0.621 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)C)CCO1 ZINC000408030324 160016830 /nfs/dbraw/zinc/01/68/30/160016830.db2.gz FYGUFSVNOFYCFG-NEPJUHHUSA-N 0 0 312.366 0.034 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000408035054 160017556 /nfs/dbraw/zinc/01/75/56/160017556.db2.gz WJORHBIGZSMUHE-NSHDSACASA-N 0 0 323.422 0.665 10 0 DCAERN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(C(N)=O)cn1 ZINC000408033816 160017828 /nfs/dbraw/zinc/01/78/28/160017828.db2.gz QDYQTSLMAAYOCL-ZENOOKHLSA-N 0 0 305.378 0.937 10 0 DCAERN CC(C)n1nnnc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408040207 160019890 /nfs/dbraw/zinc/01/98/90/160019890.db2.gz FHRNBICJGVGBDQ-NEPJUHHUSA-N 0 0 307.402 0.631 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000408044639 160021681 /nfs/dbraw/zinc/02/16/81/160021681.db2.gz BEELAWQHYRUFLH-OLZOCXBDSA-N 0 0 312.410 0.897 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000408044230 160021862 /nfs/dbraw/zinc/02/18/62/160021862.db2.gz NBJKNMYGGICLDJ-QWHCGFSZSA-N 0 0 309.410 0.714 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000408049616 160023092 /nfs/dbraw/zinc/02/30/92/160023092.db2.gz CCOXKFUWTHRPAU-KGLIPLIRSA-N 0 0 316.361 0.883 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C12CCC2 ZINC000408051882 160023322 /nfs/dbraw/zinc/02/33/22/160023322.db2.gz JPEOKESNZZQRFX-CPUCHLNUSA-N 0 0 324.421 0.824 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000408052335 160023520 /nfs/dbraw/zinc/02/35/20/160023520.db2.gz UEFXDRKQNZPHSD-BBRMVZONSA-N 0 0 320.393 0.489 10 0 DCAERN Cn1cccc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051828 160023740 /nfs/dbraw/zinc/02/37/40/160023740.db2.gz IZQIHBFVGSOQAQ-YPMHNXCESA-N 0 0 309.341 0.437 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H](O)C2CCCCC2)C1 ZINC000408050397 160023755 /nfs/dbraw/zinc/02/37/55/160023755.db2.gz CTEJDKRJDOMXSV-GDBMZVCRSA-N 0 0 312.410 0.417 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@H](O)C[C@H]1CO ZINC000408052741 160024370 /nfs/dbraw/zinc/02/43/70/160024370.db2.gz CZSKZTBPWCGKKN-XJFOESAGSA-N 0 0 305.378 0.108 10 0 DCAERN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@](O)(C(N)=O)C2)C1(C)C ZINC000408057064 160024959 /nfs/dbraw/zinc/02/49/59/160024959.db2.gz PKVBRSVLQDNNME-BFQNTYOBSA-N 0 0 310.394 0.467 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000408054999 160025255 /nfs/dbraw/zinc/02/52/55/160025255.db2.gz VVWMHUQRGORBME-ZBFHGGJFSA-N 0 0 322.361 0.553 10 0 DCAERN Cc1cnc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000408055407 160025294 /nfs/dbraw/zinc/02/52/94/160025294.db2.gz XVHWXPGHDSNTEX-YPMHNXCESA-N 0 0 322.340 0.196 10 0 DCAERN CCn1cc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)nc1C ZINC000408058490 160025692 /nfs/dbraw/zinc/02/56/92/160025692.db2.gz KGYXRFLLOGXYOG-NSHDSACASA-N 0 0 324.410 0.925 10 0 DCAERN O=C(Cc1cncnc1)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408066403 160027173 /nfs/dbraw/zinc/02/71/73/160027173.db2.gz YADMRNFAQAJBKO-RRFJBIMHSA-N 0 0 305.378 0.798 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000408066887 160027525 /nfs/dbraw/zinc/02/75/25/160027525.db2.gz FVDQROSHQDKXRM-VIFPVBQESA-N 0 0 308.338 0.350 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C(=O)NC(C)(C)C ZINC000408073800 160029937 /nfs/dbraw/zinc/02/99/37/160029937.db2.gz NDROSHFGYFOSSI-GMTAPVOTSA-N 0 0 321.443 0.233 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000408073801 160030138 /nfs/dbraw/zinc/03/01/38/160030138.db2.gz NDROSHFGYFOSSI-OUAUKWLOSA-N 0 0 321.443 0.233 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)nc1 ZINC000408075977 160030155 /nfs/dbraw/zinc/03/01/55/160030155.db2.gz ARHNNINSKMOKCE-GHMZBOCLSA-N 0 0 309.391 0.991 10 0 DCAERN NC(=O)C1CCC(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000408074837 160030280 /nfs/dbraw/zinc/03/02/80/160030280.db2.gz RHGMVJJHKVOGGW-QRMWWUJWSA-N 0 0 321.421 0.795 10 0 DCAERN C[C@@H]1C[C@H](CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CCO1 ZINC000408082786 160031762 /nfs/dbraw/zinc/03/17/62/160031762.db2.gz HJRDAIUMDHUFNX-IJLUTSLNSA-N 0 0 304.412 0.630 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000408085861 160032537 /nfs/dbraw/zinc/03/25/37/160032537.db2.gz DIFUOUUTRSFHKI-SCDSUCTJSA-N 0 0 307.394 0.418 10 0 DCAERN C[C@H](c1nc(C(C)(C)C)no1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000408091577 160033632 /nfs/dbraw/zinc/03/36/32/160033632.db2.gz VGLWWPOGDLPGKS-BDAKNGLRSA-N 0 0 302.400 0.791 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N3CC[C@H](C)[C@@H](O)C3)cc12 ZINC000408090531 160033756 /nfs/dbraw/zinc/03/37/56/160033756.db2.gz RVVXQCKNASVZTM-UFBFGSQYSA-N 0 0 311.363 0.923 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](O)C1)CC2 ZINC000408093374 160034632 /nfs/dbraw/zinc/03/46/32/160034632.db2.gz VHLCAKMSCKAZTP-UTUOFQBUSA-N 0 0 307.398 0.568 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N[C@]2(C)CCOC2)cn1C ZINC000408097795 160035213 /nfs/dbraw/zinc/03/52/13/160035213.db2.gz BXTCUVYWRBCVKT-CYBMUJFWSA-N 0 0 315.395 0.184 10 0 DCAERN CCn1cnnc1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000408099128 160035997 /nfs/dbraw/zinc/03/59/97/160035997.db2.gz UQUAZUAKRYKACE-UHFFFAOYSA-N 0 0 324.410 0.600 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)s1 ZINC000408103812 160036736 /nfs/dbraw/zinc/03/67/36/160036736.db2.gz NNVLZWKRZNJAAP-SECBINFHSA-N 0 0 324.449 0.498 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCOc3cc(O)ccc3C2)C1 ZINC000408107201 160037132 /nfs/dbraw/zinc/03/71/32/160037132.db2.gz OATBNNXTPISWPI-CYBMUJFWSA-N 0 0 304.346 0.982 10 0 DCAERN CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1(C)C ZINC000408106994 160037157 /nfs/dbraw/zinc/03/71/57/160037157.db2.gz MPXLQCNPXWNWMT-IRCOFANPSA-N 0 0 318.439 0.874 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)CN1c2ccccc2OCC1=O ZINC000408111383 160037892 /nfs/dbraw/zinc/03/78/92/160037892.db2.gz ASUIGFICEQZASW-LBPRGKRZSA-N 0 0 303.362 0.575 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C)C[C@@H]1C ZINC000408113708 160039174 /nfs/dbraw/zinc/03/91/74/160039174.db2.gz UOCYIOMXLNKVSE-UWVGGRQHSA-N 0 0 310.427 0.651 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000408114944 160039731 /nfs/dbraw/zinc/03/97/31/160039731.db2.gz JNTHQUDFRLIGQO-LBPRGKRZSA-N 0 0 304.412 0.499 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2CCC(C(N)=O)CC2)C1 ZINC000408122513 160042274 /nfs/dbraw/zinc/04/22/74/160042274.db2.gz XYCXMYWMUMQSFT-OKZRHMCRSA-N 0 0 317.455 0.843 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000408132232 160044062 /nfs/dbraw/zinc/04/40/62/160044062.db2.gz JAPNQCPXXKCJTF-VXGBXAGGSA-N 0 0 301.412 0.838 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CC[C@H](C)C2)CC1 ZINC000408131979 160044213 /nfs/dbraw/zinc/04/42/13/160044213.db2.gz HUIROQAESVNTQO-LBPRGKRZSA-N 0 0 303.428 0.373 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CC[C@H](C)C2)CCN1CCOC ZINC000408132786 160044373 /nfs/dbraw/zinc/04/43/73/160044373.db2.gz LNFLFGNGBBUSNX-UONOGXRCSA-N 0 0 319.471 0.616 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CC[C@@H](C)C1 ZINC000408131915 160044379 /nfs/dbraw/zinc/04/43/79/160044379.db2.gz IPTRKDDNRJKEJR-OLZOCXBDSA-N 0 0 317.455 0.906 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1O ZINC000408137595 160045038 /nfs/dbraw/zinc/04/50/38/160045038.db2.gz JVHHXJOVXJTIJH-NEPJUHHUSA-N 0 0 318.439 0.277 10 0 DCAERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408140561 160046034 /nfs/dbraw/zinc/04/60/34/160046034.db2.gz KFMFPPPVWVPBOF-QWRGUYRKSA-N 0 0 311.382 0.326 10 0 DCAERN COCC1(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000408140228 160046270 /nfs/dbraw/zinc/04/62/70/160046270.db2.gz JCFVTJNWLOIZJR-CYBMUJFWSA-N 0 0 310.394 0.510 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000408145630 160047758 /nfs/dbraw/zinc/04/77/58/160047758.db2.gz JQAAJULIQMIOSD-MJBXVCDLSA-N 0 0 321.421 0.810 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCOC1 ZINC000408159720 160049799 /nfs/dbraw/zinc/04/97/99/160049799.db2.gz RSRRIIMUMJQUIB-NSHDSACASA-N 0 0 310.375 0.520 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000408185949 160055188 /nfs/dbraw/zinc/05/51/88/160055188.db2.gz OEZDRQQTZSCLEI-JTQLQIEISA-N 0 0 300.384 0.007 10 0 DCAERN Cc1cc(C(F)(F)F)nc(N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000408193779 160056817 /nfs/dbraw/zinc/05/68/17/160056817.db2.gz DZNZGLZLVLMQBG-QMMMGPOBSA-N 0 0 324.328 0.932 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000408196873 160057378 /nfs/dbraw/zinc/05/73/78/160057378.db2.gz DKHZOKKZYRTTKC-OLZOCXBDSA-N 0 0 309.410 0.759 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408197062 160057530 /nfs/dbraw/zinc/05/75/30/160057530.db2.gz FXLZRJQPOKKCRC-ZJUUUORDSA-N 0 0 307.316 0.608 10 0 DCAERN CCNC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H](CC)C2)CC1 ZINC000408198472 160057699 /nfs/dbraw/zinc/05/76/99/160057699.db2.gz SMXVLWRDIJQSRP-NWDGAFQWSA-N 0 0 310.398 0.165 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC(=O)N1 ZINC000408200964 160058736 /nfs/dbraw/zinc/05/87/36/160058736.db2.gz CKPDIGUFZDWRHW-JHJVBQTASA-N 0 0 317.393 0.476 10 0 DCAERN CCc1c(C(=O)N2CCN3CCOC[C@H]3C2)[nH]c(C)c1C(N)=O ZINC000408203078 160059284 /nfs/dbraw/zinc/05/92/84/160059284.db2.gz OWNBJMNWWDMGSR-LLVKDONJSA-N 0 0 320.393 0.141 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC(=O)N1 ZINC000408202919 160059490 /nfs/dbraw/zinc/05/94/90/160059490.db2.gz JXGZGZSLQTZDEJ-RDBSUJKOSA-N 0 0 321.421 0.762 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000408217646 160062163 /nfs/dbraw/zinc/06/21/63/160062163.db2.gz FRXVEIVWIRNGEY-QWRGUYRKSA-N 0 0 301.412 0.838 10 0 DCAERN Cc1nc(CN2CCN(C(=O)[C@@H]3[C@H](C)C3(F)F)CC2)no1 ZINC000408230859 160064726 /nfs/dbraw/zinc/06/47/26/160064726.db2.gz DJZDCTMHDFSXKN-KWQFWETISA-N 0 0 300.309 0.923 10 0 DCAERN CCc1cnc(N2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)s1 ZINC000408231978 160064908 /nfs/dbraw/zinc/06/49/08/160064908.db2.gz KXFBEMVBBICGAG-JTQLQIEISA-N 0 0 308.407 0.490 10 0 DCAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1cnn(C)c1 ZINC000408234206 160065153 /nfs/dbraw/zinc/06/51/53/160065153.db2.gz CVILDWSLEZHFBV-UWVGGRQHSA-N 0 0 300.384 0.310 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CCCS(C)(=O)=O)CCS1 ZINC000408236780 160066364 /nfs/dbraw/zinc/06/63/64/160066364.db2.gz KCADUHKFPDSQPA-SNVBAGLBSA-N 0 0 315.482 0.578 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408237268 160066443 /nfs/dbraw/zinc/06/64/43/160066443.db2.gz RXZSACNUSJLQJC-UPJWGTAASA-N 0 0 318.439 0.876 10 0 DCAERN Cc1nc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cn1C ZINC000408237748 160066721 /nfs/dbraw/zinc/06/67/21/160066721.db2.gz OURKGWBPWMYFEH-GDPRMGEGSA-N 0 0 312.395 0.016 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000408243644 160067486 /nfs/dbraw/zinc/06/74/86/160067486.db2.gz IZOZAEUIGLUYIC-GRYCIOLGSA-N 0 0 316.423 0.296 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)on1 ZINC000408242625 160067965 /nfs/dbraw/zinc/06/79/65/160067965.db2.gz WMFCFNSFIKRTIT-VHSXEESVSA-N 0 0 301.368 0.573 10 0 DCAERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000408243842 160068217 /nfs/dbraw/zinc/06/82/17/160068217.db2.gz KHVCCSBRHHDZOX-MNOVXSKESA-N 0 0 318.395 0.158 10 0 DCAERN COC[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)[C@@H]1CCCO1 ZINC000408246050 160068437 /nfs/dbraw/zinc/06/84/37/160068437.db2.gz YMNXEQUAGGEPLD-SRVKXCTJSA-N 0 0 320.411 0.009 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408245814 160068489 /nfs/dbraw/zinc/06/84/89/160068489.db2.gz YAPJDFJGLBDLAS-NWDGAFQWSA-N 0 0 304.412 0.488 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408249131 160069136 /nfs/dbraw/zinc/06/91/36/160069136.db2.gz PEMRYEFPIWZJIH-LLVKDONJSA-N 0 0 302.396 0.033 10 0 DCAERN O=C(NCCc1nccs1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252186 160069859 /nfs/dbraw/zinc/06/98/59/160069859.db2.gz MZQMSSAWENOVCJ-AWEZNQCLSA-N 0 0 308.407 0.997 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408251376 160070004 /nfs/dbraw/zinc/07/00/04/160070004.db2.gz ACYSIYPLVWORRW-INIZCTEOSA-N 0 0 324.425 0.460 10 0 DCAERN C[C@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCS1(=O)=O ZINC000408253826 160070108 /nfs/dbraw/zinc/07/01/08/160070108.db2.gz JPVFGHWJTABQLB-ZETCQYMHSA-N 0 0 323.321 0.281 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCC[C@H]2CS(N)(=O)=O)nc1C ZINC000408260061 160071509 /nfs/dbraw/zinc/07/15/09/160071509.db2.gz COAAXAPZFMOBIX-NSHDSACASA-N 0 0 312.395 0.295 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000408260722 160071547 /nfs/dbraw/zinc/07/15/47/160071547.db2.gz XGPYXWDXHWZAMA-UWVGGRQHSA-N 0 0 312.395 0.109 10 0 DCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000408273620 160073360 /nfs/dbraw/zinc/07/33/60/160073360.db2.gz FILUWTWWRJVSKU-TUAOUCFPSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000408285366 160076749 /nfs/dbraw/zinc/07/67/49/160076749.db2.gz FFURDCFBARKSNB-SECBINFHSA-N 0 0 308.363 0.462 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000408290152 160077767 /nfs/dbraw/zinc/07/77/67/160077767.db2.gz NCFHWETXCJZROY-NSHDSACASA-N 0 0 303.428 0.516 10 0 DCAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000408297044 160079135 /nfs/dbraw/zinc/07/91/35/160079135.db2.gz HTLUHIJTCAMWEC-SRVKXCTJSA-N 0 0 306.366 0.723 10 0 DCAERN C[C@@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000408297767 160079171 /nfs/dbraw/zinc/07/91/71/160079171.db2.gz KIYGDKPZMWIWKT-ABAIWWIYSA-N 0 0 313.398 0.491 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)c1 ZINC000408302075 160079749 /nfs/dbraw/zinc/07/97/49/160079749.db2.gz XGBXKCDZMXKOAR-JTQLQIEISA-N 0 0 300.384 0.144 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)c1 ZINC000408302270 160080070 /nfs/dbraw/zinc/08/00/70/160080070.db2.gz YGHKDJXHYGPQFN-NSHDSACASA-N 0 0 324.410 0.600 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@]2(CCCOC2)C1 ZINC000408300597 160080113 /nfs/dbraw/zinc/08/01/13/160080113.db2.gz YMVSUCILIXRPPQ-INIZCTEOSA-N 0 0 323.393 0.738 10 0 DCAERN C[C@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1O ZINC000408304232 160080688 /nfs/dbraw/zinc/08/06/88/160080688.db2.gz ADNYRXYKDYGJOB-WDEREUQCSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@@H](CCNC(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C)[S@@](C)=O ZINC000408305311 160080893 /nfs/dbraw/zinc/08/08/93/160080893.db2.gz IYOUKMYSVFFYRO-CRXNTTCJSA-N 0 0 308.469 0.694 10 0 DCAERN CC1CCN(CC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000408306720 160081282 /nfs/dbraw/zinc/08/12/82/160081282.db2.gz BDUIYNYSECEKOV-CYBMUJFWSA-N 0 0 302.440 0.611 10 0 DCAERN Cc1cncn1C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC000408316357 160083443 /nfs/dbraw/zinc/08/34/43/160083443.db2.gz AXLUIXAAKCIDOA-UHFFFAOYSA-N 0 0 314.411 0.246 10 0 DCAERN C[C@@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C1CC1 ZINC000408319471 160084190 /nfs/dbraw/zinc/08/41/90/160084190.db2.gz JBHVOMZLWBIWLY-KGLIPLIRSA-N 0 0 323.437 0.424 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H]1CCO[C@@H]1C ZINC000408322909 160084591 /nfs/dbraw/zinc/08/45/91/160084591.db2.gz WILGRSXXTVQNFJ-KKOKHZNYSA-N 0 0 305.396 0.815 10 0 DCAERN Cc1cnc(C(=O)N2CCc3c(ncn(C)c3=O)C2)c(O)c1 ZINC000408324808 160085478 /nfs/dbraw/zinc/08/54/78/160085478.db2.gz RIUANQYSTRCQET-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCNC(=O)[C@H]2C)c(F)c1 ZINC000408337607 160087797 /nfs/dbraw/zinc/08/77/97/160087797.db2.gz VDIKRRCAOXXQHO-SECBINFHSA-N 0 0 316.354 0.733 10 0 DCAERN C[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C[C@H]1O ZINC000408348150 160089857 /nfs/dbraw/zinc/08/98/57/160089857.db2.gz FADIMUCRUCDXJV-RNFRBKRXSA-N 0 0 307.276 0.736 10 0 DCAERN C[C@H](O)C1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000408352211 160090547 /nfs/dbraw/zinc/09/05/47/160090547.db2.gz NQCAVAHOTNFTOJ-JQWIXIFHSA-N 0 0 306.353 0.572 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408351570 160090602 /nfs/dbraw/zinc/09/06/02/160090602.db2.gz GJSMIIAEOZZAAF-SECBINFHSA-N 0 0 320.802 0.315 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2c(Br)cnn2C)CCO1 ZINC000408365419 160093413 /nfs/dbraw/zinc/09/34/13/160093413.db2.gz IPWUATIMZBLMOX-JTQLQIEISA-N 0 0 317.187 0.129 10 0 DCAERN O=C(CN1CCO[C@H](CO)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000408369103 160093725 /nfs/dbraw/zinc/09/37/25/160093725.db2.gz RJNDCMHKVOCLMA-QWRGUYRKSA-N 0 0 310.316 0.480 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000408373322 160094477 /nfs/dbraw/zinc/09/44/77/160094477.db2.gz KTMPCROBZCGIJI-GARJFASQSA-N 0 0 313.423 0.410 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(O)(C(F)F)CC1 ZINC000408374256 160094759 /nfs/dbraw/zinc/09/47/59/160094759.db2.gz HGPAWIPUHYLEOD-SECBINFHSA-N 0 0 308.350 0.526 10 0 DCAERN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cnn2C)C1 ZINC000408383868 160096781 /nfs/dbraw/zinc/09/67/81/160096781.db2.gz ILYRYDKCADDTNN-QMMMGPOBSA-N 0 0 320.802 0.220 10 0 DCAERN CN(C)c1nccc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000408390636 160098361 /nfs/dbraw/zinc/09/83/61/160098361.db2.gz XVOXXQGPJJCANI-OAHLLOKOSA-N 0 0 318.381 0.357 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000408394193 160099049 /nfs/dbraw/zinc/09/90/49/160099049.db2.gz ISIRAUDUZWKXHM-IJLUTSLNSA-N 0 0 304.412 0.483 10 0 DCAERN O=C(NC[C@@H](O)C1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000408393794 160099063 /nfs/dbraw/zinc/09/90/63/160099063.db2.gz GYUURMMRVUGDBE-GFCCVEGCSA-N 0 0 304.412 0.368 10 0 DCAERN COC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000408393037 160099071 /nfs/dbraw/zinc/09/90/71/160099071.db2.gz KZCYIDUTPXQPEL-FRRDWIJNSA-N 0 0 306.428 0.747 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@H]1C)[C@H]1CCCO1 ZINC000408394217 160099205 /nfs/dbraw/zinc/09/92/05/160099205.db2.gz OIQPRMWVSIEXNJ-MROQNXINSA-N 0 0 322.427 0.124 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N1CCC(C)CC1 ZINC000408395169 160099887 /nfs/dbraw/zinc/09/98/87/160099887.db2.gz SYQNOUGMEDXSRP-LBPRGKRZSA-N 0 0 313.427 0.988 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2csnn2)C1 ZINC000408399217 160100233 /nfs/dbraw/zinc/10/02/33/160100233.db2.gz FURBVEUIWUXMON-QMMMGPOBSA-N 0 0 304.397 0.080 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408408839 160102750 /nfs/dbraw/zinc/10/27/50/160102750.db2.gz XUJZVDMUSHWLEY-UHFFFAOYSA-N 0 0 314.363 0.118 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)N2CCSC[C@H]2C)C1 ZINC000408412071 160102966 /nfs/dbraw/zinc/10/29/66/160102966.db2.gz NEMNPRGLSUTFPD-SNVBAGLBSA-N 0 0 321.468 0.415 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CO[C@H](C)C2)C1 ZINC000408412443 160103504 /nfs/dbraw/zinc/10/35/04/160103504.db2.gz QBVFEPSWCKTFSH-IJLUTSLNSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC2(CCO)CCC2)[C@@H](C)CO1 ZINC000408436229 160107639 /nfs/dbraw/zinc/10/76/39/160107639.db2.gz WQEQMAWKQFSUGR-RYUDHWBXSA-N 0 0 306.428 0.483 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H](CO)C2)c(F)cc1F ZINC000408434897 160107786 /nfs/dbraw/zinc/10/77/86/160107786.db2.gz SPIYJNKTCAZFOS-VIFPVBQESA-N 0 0 307.318 0.655 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)NC2(CC(N)=O)CCC2)CC1 ZINC000408436930 160107866 /nfs/dbraw/zinc/10/78/66/160107866.db2.gz LRQITPMNHDHKNP-UHFFFAOYSA-N 0 0 310.398 0.294 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCc2sccc2[C@@H]1C ZINC000408451688 160110936 /nfs/dbraw/zinc/11/09/36/160110936.db2.gz JTQJGRUXRJKMCN-QMMMGPOBSA-N 0 0 303.409 0.248 10 0 DCAERN CNC(=O)[C@@H]1CCCN1[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000408449798 160111120 /nfs/dbraw/zinc/11/11/20/160111120.db2.gz DRLMVUOBTJJHOT-VHSXEESVSA-N 0 0 307.316 0.750 10 0 DCAERN Cc1nc([C@H]2CCCN2S(=O)(=O)[C@@H](C)C(=O)N(C)C)no1 ZINC000408455286 160111606 /nfs/dbraw/zinc/11/16/06/160111606.db2.gz XDAOGXXSDQCNCH-WCBMZHEXSA-N 0 0 316.383 0.321 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC(=O)N1 ZINC000408465247 160114604 /nfs/dbraw/zinc/11/46/04/160114604.db2.gz JVQJAQXMHZHNFK-CABZTGNLSA-N 0 0 319.386 0.836 10 0 DCAERN C[C@@H](CNC(=O)Nc1cc(C(N)=O)ccc1F)N1CCOCC1 ZINC000047875163 286888659 /nfs/dbraw/zinc/88/86/59/286888659.db2.gz KEUMOCOPHHKPTM-JTQLQIEISA-N 0 0 324.356 0.767 10 0 DCAERN C[C@@H](NC(=O)NCc1ccnn1C)C(=O)NCc1ccco1 ZINC000065988833 286904552 /nfs/dbraw/zinc/90/45/52/286904552.db2.gz ZYSKDNBKLNYBKD-SNVBAGLBSA-N 0 0 305.338 0.517 10 0 DCAERN CC(C)CC[C@](C)(O)CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC000075262679 286917742 /nfs/dbraw/zinc/91/77/42/286917742.db2.gz MTXMZXIIJJERJM-ZDUSSCGKSA-N 0 0 318.395 0.844 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(CC)cc2)C1 ZINC000091414351 286936025 /nfs/dbraw/zinc/93/60/25/286936025.db2.gz GHGVCDKOJASCQQ-UHFFFAOYSA-N 0 0 303.362 0.782 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000120196472 286950868 /nfs/dbraw/zinc/95/08/68/286950868.db2.gz FJXKNMGTOYTNDG-KOLCDFICSA-N 0 0 322.365 0.644 10 0 DCAERN CSC[C@@H](CCO)NC(=O)Cn1cnc2ccccc2c1=O ZINC000132865736 287007597 /nfs/dbraw/zinc/00/75/97/287007597.db2.gz WAUIWZMVWCUYCO-LLVKDONJSA-N 0 0 321.402 0.627 10 0 DCAERN C[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccs2)O1 ZINC000133211482 287009642 /nfs/dbraw/zinc/00/96/42/287009642.db2.gz VTNGOAMLRQWMRD-VHSXEESVSA-N 0 0 318.420 0.710 10 0 DCAERN Cc1nc(C(=O)Nc2ccc(CC(N)=O)cc2)c(=O)[nH]c1C ZINC000135676656 287024049 /nfs/dbraw/zinc/02/40/49/287024049.db2.gz OSIJZLXSTLTUPM-UHFFFAOYSA-N 0 0 300.318 0.667 10 0 DCAERN CCC[C@](C)(CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000135457272 287022575 /nfs/dbraw/zinc/02/25/75/287022575.db2.gz HCKGUMLMCXOYDL-MRXNPFEDSA-N 0 0 319.361 0.357 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCC(=O)NC1CCCCC1 ZINC000135535654 287022810 /nfs/dbraw/zinc/02/28/10/287022810.db2.gz PILTVJSDUSTCRI-YPMHNXCESA-N 0 0 318.439 0.922 10 0 DCAERN CCN(CC)C(=O)CCCNS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135519571 287022893 /nfs/dbraw/zinc/02/28/93/287022893.db2.gz BDTRIBHVHDGBCT-VXGBXAGGSA-N 0 0 306.428 0.732 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000135609989 287023593 /nfs/dbraw/zinc/02/35/93/287023593.db2.gz OPZVHAQEALSGPB-OLZOCXBDSA-N 0 0 306.428 0.148 10 0 DCAERN CCOC(=O)C[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000152113650 287038740 /nfs/dbraw/zinc/03/87/40/287038740.db2.gz AANFVYHVBBOVIT-SECBINFHSA-N 0 0 303.318 0.995 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000153364065 287049614 /nfs/dbraw/zinc/04/96/14/287049614.db2.gz ZDXJNHVQZZTNOS-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnc(-c2ccccn2)s1 ZINC000153443586 287050139 /nfs/dbraw/zinc/05/01/39/287050139.db2.gz RBVHWLSRDOHYQY-MRVPVSSYSA-N 0 0 316.342 0.740 10 0 DCAERN CNC(=O)CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000177134677 287053748 /nfs/dbraw/zinc/05/37/48/287053748.db2.gz BIHFZYRLIUZRCG-SECBINFHSA-N 0 0 311.773 0.359 10 0 DCAERN CNC(=O)CC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000185773867 287057015 /nfs/dbraw/zinc/05/70/15/287057015.db2.gz LQHQIRMRJTWNNZ-UHFFFAOYSA-N 0 0 303.362 0.036 10 0 DCAERN CC(=O)NCCCNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192579560 287059038 /nfs/dbraw/zinc/05/90/38/287059038.db2.gz LRKYZHKSQIXRKF-UHFFFAOYSA-N 0 0 302.334 0.749 10 0 DCAERN NC(=O)c1cccc(CNC(=O)NCCCN2CCCC2=O)c1 ZINC000192729448 287059291 /nfs/dbraw/zinc/05/92/91/287059291.db2.gz BCPUWEQVJIMDAG-UHFFFAOYSA-N 0 0 318.377 0.597 10 0 DCAERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1CNC(=O)C1 ZINC000195392496 287063077 /nfs/dbraw/zinc/06/30/77/287063077.db2.gz SLXZBHVNEHHKQE-JSGCOSHPSA-N 0 0 318.373 0.960 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCN1CC(F)F ZINC000245746518 287072863 /nfs/dbraw/zinc/07/28/63/287072863.db2.gz MYZOMHHFGUEDBK-WDEREUQCSA-N 0 0 303.353 0.701 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H](O)Cc1ccccc1 ZINC000246074108 287076285 /nfs/dbraw/zinc/07/62/85/287076285.db2.gz DPUPWORAMVWBAU-QEJZJMRPSA-N 0 0 319.405 0.899 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCOC(C)C)CCN1C[C@H](C)O ZINC000246088871 287076628 /nfs/dbraw/zinc/07/66/28/287076628.db2.gz JKRGMGTUUMKEQG-KBPBESRZSA-N 0 0 322.471 0.518 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000246212010 287079466 /nfs/dbraw/zinc/07/94/66/287079466.db2.gz SATCWZAOAITFFX-UTUOFQBUSA-N 0 0 306.428 0.433 10 0 DCAERN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN1c1nccs1 ZINC000246163521 287078187 /nfs/dbraw/zinc/07/81/87/287078187.db2.gz MOQCPDCNXQUNQM-WDEREUQCSA-N 0 0 308.407 0.897 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)C2CCCCC2)[C@@H](C)CO1 ZINC000246192307 287078604 /nfs/dbraw/zinc/07/86/04/287078604.db2.gz NQZIAKHECSZNSL-OUCADQQQSA-N 0 0 320.455 0.871 10 0 DCAERN Cn1cc(N2CC[C@@H](N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cn1 ZINC000246456337 287083660 /nfs/dbraw/zinc/08/36/60/287083660.db2.gz VPVUCEXULXFXRM-PWSUYJOCSA-N 0 0 318.299 0.525 10 0 DCAERN Cc1ccncc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246812822 287088071 /nfs/dbraw/zinc/08/80/71/287088071.db2.gz AEIQRKZDWAZMMO-STQMWFEESA-N 0 0 320.393 0.242 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246861995 287088579 /nfs/dbraw/zinc/08/85/79/287088579.db2.gz WBDCJFOFWIPLPB-OPRDCNLKSA-N 0 0 318.420 0.590 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000246580131 287085776 /nfs/dbraw/zinc/08/57/76/287085776.db2.gz ZGPQVCNSWOLAJS-MJBXVCDLSA-N 0 0 311.426 0.158 10 0 DCAERN CCCN(C[C@H](C)CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000246615209 287085981 /nfs/dbraw/zinc/08/59/81/287085981.db2.gz RPMSQRSZBBGABL-RYUDHWBXSA-N 0 0 311.469 0.566 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000246700458 287086864 /nfs/dbraw/zinc/08/68/64/287086864.db2.gz QWTZKGFJLUIAKT-PGUXBMHVSA-N 0 0 304.346 0.952 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000246972015 287089689 /nfs/dbraw/zinc/08/96/89/287089689.db2.gz GRRIFPMBIIYVOH-KBPBESRZSA-N 0 0 313.419 0.854 10 0 DCAERN CC[C@H](C)CS(=O)(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000247016158 287090206 /nfs/dbraw/zinc/09/02/06/287090206.db2.gz OVVMXQKAUXYNQF-GXSJLCMTSA-N 0 0 302.400 0.862 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000247015508 287090229 /nfs/dbraw/zinc/09/02/29/287090229.db2.gz JEQMAYCYCQLMPP-FRRDWIJNSA-N 0 0 309.410 0.794 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000247110173 287091396 /nfs/dbraw/zinc/09/13/96/287091396.db2.gz OZFRFRBEJAVSIJ-WOPDTQHZSA-N 0 0 303.428 0.597 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000248910998 287103511 /nfs/dbraw/zinc/10/35/11/287103511.db2.gz IYULIYGRHPVYSS-DRZSPHRISA-N 0 0 304.412 0.342 10 0 DCAERN CC[C@@H](CO)N1CCN(S(=O)(=O)N2CCC[C@H]2C)CC1 ZINC000248680815 287099918 /nfs/dbraw/zinc/09/99/18/287099918.db2.gz FJXORPOTQICSDO-OLZOCXBDSA-N 0 0 305.444 0.104 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249286731 287108601 /nfs/dbraw/zinc/10/86/01/287108601.db2.gz ISSQSOVLOHFGEP-SRVKXCTJSA-N 0 0 316.423 0.040 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000249628548 287116820 /nfs/dbraw/zinc/11/68/20/287116820.db2.gz UPMGHUUNPPYBSB-SRVKXCTJSA-N 0 0 312.414 0.505 10 0 DCAERN CCN1CCN(CC(=O)NC/C=C\c2ccccc2)C(=O)C1=O ZINC000255567076 287125599 /nfs/dbraw/zinc/12/55/99/287125599.db2.gz PFLKPBZHDMBSSI-TWGQIWQCSA-N 0 0 315.373 0.507 10 0 DCAERN COCCN1CCCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1=O ZINC000189311205 292526408 /nfs/dbraw/zinc/52/64/08/292526408.db2.gz SDRCEKWBGZLWEJ-GXTWGEPZSA-N 0 0 310.394 0.699 10 0 DCAERN CC[C@@H]1CN(CCCS(=O)(=O)C(C)C)CCN1C[C@@H](C)O ZINC000120020527 287194047 /nfs/dbraw/zinc/19/40/47/287194047.db2.gz PIJMZGYHQGZNIC-HUUCEWRRSA-N 0 0 320.499 0.977 10 0 DCAERN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)C2CC2)co1 ZINC000358307586 287206365 /nfs/dbraw/zinc/20/63/65/287206365.db2.gz IHBZHZGEXMIMMU-NSHDSACASA-N 0 0 316.379 0.278 10 0 DCAERN O=C(NC[C@H](CO)C1CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000358315689 287207296 /nfs/dbraw/zinc/20/72/96/287207296.db2.gz XFZREFFJSFSJIJ-KGLIPLIRSA-N 0 0 306.362 0.998 10 0 DCAERN COC[C@H](CNC(=O)N1CCCN(c2cccnn2)CC1)OC ZINC000358391416 287208197 /nfs/dbraw/zinc/20/81/97/287208197.db2.gz YONYEOSNSNQVTA-ZDUSSCGKSA-N 0 0 323.397 0.360 10 0 DCAERN O=C(NC[C@@H](CO)C1CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000358315691 287207260 /nfs/dbraw/zinc/20/72/60/287207260.db2.gz XFZREFFJSFSJIJ-UONOGXRCSA-N 0 0 306.362 0.998 10 0 DCAERN O=S(=O)(c1ccccc1F)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404151856 287232420 /nfs/dbraw/zinc/23/24/20/287232420.db2.gz MNENQQCLWFXQKE-RYUDHWBXSA-N 0 0 300.355 0.577 10 0 DCAERN CCN(CC)S(=O)(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000129418351 196046393 /nfs/dbraw/zinc/04/63/93/196046393.db2.gz TXVSANMKZZWKIO-SNVBAGLBSA-N 0 0 317.415 0.436 10 0 DCAERN COC(=O)c1ccc(NC(=O)NCc2nnc(C)n2C)nn1 ZINC000619627446 412381403 /nfs/dbraw/zinc/38/14/03/412381403.db2.gz ANKMYGHOCKWFTB-UHFFFAOYSA-N 0 0 305.298 0.022 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccnn1 ZINC000488949073 412429899 /nfs/dbraw/zinc/42/98/99/412429899.db2.gz QOCAIWLIRRZNFD-IUCAKERBSA-N 0 0 309.326 0.054 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC(=O)N1 ZINC000408187936 287272896 /nfs/dbraw/zinc/27/28/96/287272896.db2.gz BEMQBZLOHSPTPC-IJLUTSLNSA-N 0 0 305.382 0.842 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1C ZINC000342296221 415129513 /nfs/dbraw/zinc/12/95/13/415129513.db2.gz WKIMAMNFHWWGHX-NXEZZACHSA-N 0 0 316.379 0.610 10 0 DCAERN COC[C@@H](C)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000025785046 415165038 /nfs/dbraw/zinc/16/50/38/415165038.db2.gz VQJSDRSGWXPMPG-OAHLLOKOSA-N 0 0 305.422 0.955 10 0 DCAERN CCN1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000033479898 415185524 /nfs/dbraw/zinc/18/55/24/415185524.db2.gz OOJLAPORRUYHDG-LBPRGKRZSA-N 0 0 315.373 0.835 10 0 DCAERN CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1ccccc1N ZINC000342531932 415201032 /nfs/dbraw/zinc/20/10/32/415201032.db2.gz RLSPXJCODNSXEP-UHFFFAOYSA-N 0 0 306.409 0.370 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000342713048 415266004 /nfs/dbraw/zinc/26/60/04/415266004.db2.gz JTMOPPZPVKXTAK-JQWIXIFHSA-N 0 0 316.423 0.469 10 0 DCAERN Nc1c(-n2cccn2)ncnc1N1CCN(CC(F)F)CC1 ZINC000268474680 415222816 /nfs/dbraw/zinc/22/28/16/415222816.db2.gz MYYZSCDVQZKWAC-UHFFFAOYSA-N 0 0 309.324 0.632 10 0 DCAERN Cn1c2ccc(Cl)cc2nc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000064091308 415350893 /nfs/dbraw/zinc/35/08/93/415350893.db2.gz VOAQBMQCOMABSA-QMMMGPOBSA-N 0 0 321.724 0.763 10 0 DCAERN CC(=O)C1(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000353061800 415421808 /nfs/dbraw/zinc/42/18/08/415421808.db2.gz GYCWGGGJQDZAKH-MNOVXSKESA-N 0 0 302.396 0.190 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2NC(=O)C2=NN(C)C(=O)CC2)cn1 ZINC000275262958 415371628 /nfs/dbraw/zinc/37/16/28/415371628.db2.gz BOCPXSVSSVMBJW-SMDDNHRTSA-N 0 0 319.365 0.457 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275879644 415383974 /nfs/dbraw/zinc/38/39/74/415383974.db2.gz YPRRGONWOARHRW-FRRDWIJNSA-N 0 0 320.393 0.290 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCc3cnccc32)c1 ZINC000084015680 415493226 /nfs/dbraw/zinc/49/32/26/415493226.db2.gz GORKYIZDRANYGE-UHFFFAOYSA-N 0 0 303.343 0.932 10 0 DCAERN CC[C@@H](NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C)C(=O)OC ZINC000084371089 415495190 /nfs/dbraw/zinc/49/51/90/415495190.db2.gz OMNIITWKZXAJQH-SECBINFHSA-N 0 0 306.322 0.251 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H](C)O1 ZINC000084735060 415500163 /nfs/dbraw/zinc/50/01/63/415500163.db2.gz VPRMLXPYFQYSJA-UWVGGRQHSA-N 0 0 316.379 0.578 10 0 DCAERN O=C(NC[C@H]1CCCn2ccnc21)N[C@H]1CCc2ncnn2C1 ZINC000332693978 415440087 /nfs/dbraw/zinc/44/00/87/415440087.db2.gz VNGNCYNGTKWURP-NEPJUHHUSA-N 0 0 315.381 0.666 10 0 DCAERN CN(C(=O)N[C@H]1CCN(c2ccccn2)C1)[C@H]1CCNC1=O ZINC000332753013 415461860 /nfs/dbraw/zinc/46/18/60/415461860.db2.gz GHHJMRPYEYZEDU-RYUDHWBXSA-N 0 0 303.366 0.190 10 0 DCAERN CCc1nc(CCNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)no1 ZINC000332750970 415462726 /nfs/dbraw/zinc/46/27/26/415462726.db2.gz AFVAGKJRDKGIBC-NWDGAFQWSA-N 0 0 323.397 0.289 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C[C@H]21 ZINC000332759568 415465686 /nfs/dbraw/zinc/46/56/86/415465686.db2.gz PJBPSLOGQNMVSI-CABCVRRESA-N 0 0 323.437 0.614 10 0 DCAERN C[C@H](CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)Cn1cccn1 ZINC000332761969 415467338 /nfs/dbraw/zinc/46/73/38/415467338.db2.gz UWWZUEQLNGORBK-QLFBSQMISA-N 0 0 321.425 0.634 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NCC2C[C@@H](C)O[C@H](C)C2)N(C(C)=O)C1 ZINC000332766916 415468688 /nfs/dbraw/zinc/46/86/88/415468688.db2.gz WJZHQAYOUQZSAR-HKCMKHECSA-N 0 0 312.410 0.942 10 0 DCAERN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332789007 415477880 /nfs/dbraw/zinc/47/78/80/415477880.db2.gz ZQTKBHSRPSYIRS-AVGNSLFASA-N 0 0 320.397 0.367 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCC2(O)CCCCC2)C[C@H](C)O1 ZINC000087042016 415510314 /nfs/dbraw/zinc/51/03/14/415510314.db2.gz WZLGWVTYZROVSP-RYUDHWBXSA-N 0 0 306.428 0.625 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000091784047 415539889 /nfs/dbraw/zinc/53/98/89/415539889.db2.gz FVRDDCAQKFSCKL-GFCCVEGCSA-N 0 0 312.753 0.822 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333106324 415556451 /nfs/dbraw/zinc/55/64/51/415556451.db2.gz DEFGBYJBXRTGEU-MEBFFEOJSA-N 0 0 303.424 0.977 10 0 DCAERN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1nccc(N[C@@H]2CCCOC2)n1 ZINC000333297793 415604296 /nfs/dbraw/zinc/60/42/96/415604296.db2.gz LYWXOYJDLYWIBG-DEQOCZATSA-N 0 0 316.405 1.273 10 0 DCAERN NC(=O)N1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000104378705 415623897 /nfs/dbraw/zinc/62/38/97/415623897.db2.gz DQWHQGVCGQATQX-CYBMUJFWSA-N 0 0 322.409 0.248 10 0 DCAERN O=C1C[C@H](N2CCc3cncnc3C2)C(=O)N1CC(F)(F)F ZINC000333373578 415627635 /nfs/dbraw/zinc/62/76/35/415627635.db2.gz ZZMGWPGVIOEDOU-JTQLQIEISA-N 0 0 314.267 0.525 10 0 DCAERN Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCNC(=O)[C@H]1C ZINC000105324978 415632230 /nfs/dbraw/zinc/63/22/30/415632230.db2.gz ORJCPGNALAIOOE-SNVBAGLBSA-N 0 0 304.350 0.052 10 0 DCAERN CN1C(=O)CC[C@H](Nc2cc(N3CCSCC3)ncn2)C1=O ZINC000333423695 415646132 /nfs/dbraw/zinc/64/61/32/415646132.db2.gz JQMIUNUHEJTGKR-JTQLQIEISA-N 0 0 321.406 0.589 10 0 DCAERN CO[C@@H](C(=O)N1CCC[C@@H]1Cn1ccnc1)c1cnn(C)c1 ZINC000282868309 415581864 /nfs/dbraw/zinc/58/18/64/415581864.db2.gz UVIBYUIXCRQFQR-ZIAGYGMSSA-N 0 0 303.366 0.995 10 0 DCAERN COCC(=O)N1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333232096 415588581 /nfs/dbraw/zinc/58/85/81/415588581.db2.gz YMBHUKIHBMNQGJ-FRRDWIJNSA-N 0 0 316.423 0.295 10 0 DCAERN Cc1cc(-c2nc(CC(=O)N3C[C@H](C)O[C@@H](C)C3)no2)nn1C ZINC000333251966 415596112 /nfs/dbraw/zinc/59/61/12/415596112.db2.gz YPRGWDVEFPQJAJ-QWRGUYRKSA-N 0 0 319.365 0.957 10 0 DCAERN Cn1cc(N2CCC[C@H](N3CCN(C(=O)C4CC4)C3)C2=O)cn1 ZINC000333486707 415663537 /nfs/dbraw/zinc/66/35/37/415663537.db2.gz GHWBPTHNVCGVMY-AWEZNQCLSA-N 0 0 317.393 0.427 10 0 DCAERN CCc1nc(CNC(=O)c2ccc(=O)n(CCOC)n2)cs1 ZINC000107614559 415671116 /nfs/dbraw/zinc/67/11/16/415671116.db2.gz LBVUOIBXCTXYHI-UHFFFAOYSA-N 0 0 322.390 0.839 10 0 DCAERN CNS(=O)(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)nc1 ZINC000343715197 415696004 /nfs/dbraw/zinc/69/60/04/415696004.db2.gz QEEJBOOSQKTKOU-QWRGUYRKSA-N 0 0 315.395 0.230 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc2c(n1)CCC2 ZINC000333619933 415697541 /nfs/dbraw/zinc/69/75/41/415697541.db2.gz GDMMXCFYKBTGEK-LLVKDONJSA-N 0 0 324.406 0.855 10 0 DCAERN CCN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@H](C)c1cccnc1 ZINC000115230924 415723769 /nfs/dbraw/zinc/72/37/69/415723769.db2.gz FXNPJTGLOQAERF-GFCCVEGCSA-N 0 0 316.361 0.552 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc[nH]c3=O)CCO2)c1 ZINC000112062776 415702554 /nfs/dbraw/zinc/70/25/54/415702554.db2.gz ZCQMNCSQEYZVED-GFCCVEGCSA-N 0 0 302.334 0.833 10 0 DCAERN CO[C@@H]([C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)C1CC1 ZINC000333650907 415703964 /nfs/dbraw/zinc/70/39/64/415703964.db2.gz KIOQLQVOFYZBOO-MXAVVETBSA-N 0 0 311.426 0.914 10 0 DCAERN C[C@@H](NC(=O)NC[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000112111347 415706153 /nfs/dbraw/zinc/70/61/53/415706153.db2.gz SSIBGHQTXDIZQM-OCCSQVGLSA-N 0 0 320.393 0.643 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000112649389 415711089 /nfs/dbraw/zinc/71/10/89/415711089.db2.gz RCTUVFTXVKLWEC-AAEUAGOBSA-N 0 0 312.329 0.491 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)NC(=O)CO2 ZINC000112661355 415711570 /nfs/dbraw/zinc/71/15/70/415711570.db2.gz YEXJMANKLQNJKV-SNVBAGLBSA-N 0 0 313.317 0.354 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1COc2ccccc2O1 ZINC000112659206 415712687 /nfs/dbraw/zinc/71/26/87/415712687.db2.gz GYKFEIFTRDMIHT-MFKMUULPSA-N 0 0 300.318 0.549 10 0 DCAERN Cc1sc(=O)n(CC(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000112656806 415712748 /nfs/dbraw/zinc/71/27/48/415712748.db2.gz AJQUJKJGCRJNMJ-SNVBAGLBSA-N 0 0 307.379 0.249 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCc2cnn(C)c2C)cc1 ZINC000119227646 415740398 /nfs/dbraw/zinc/74/03/98/415740398.db2.gz XGAJEUDAPQOEHT-UHFFFAOYSA-N 0 0 316.361 0.783 10 0 DCAERN CCCc1nnc(NC(=O)N2CCN(C(=O)C3CC3)C2)s1 ZINC000333845501 415749384 /nfs/dbraw/zinc/74/93/84/415749384.db2.gz MDFUUUDTOCMNMJ-UHFFFAOYSA-N 0 0 309.395 1.534 10 0 DCAERN O=C(Nc1nnc2ccccn21)N1CCN(C(=O)C2CC2)C1 ZINC000333895990 415761701 /nfs/dbraw/zinc/76/17/01/415761701.db2.gz YGQLRHBJJLDWKR-UHFFFAOYSA-N 0 0 300.322 0.773 10 0 DCAERN O=C(C1=NN(CCO)C(=O)CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000120313127 415762919 /nfs/dbraw/zinc/76/29/19/415762919.db2.gz YUTWNBICBGCPGX-CYBMUJFWSA-N 0 0 319.365 0.434 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000120356116 415763966 /nfs/dbraw/zinc/76/39/66/415763966.db2.gz RSJPUUOMOIUUGD-MWLCHTKSSA-N 0 0 318.420 0.586 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@H]1c1nncn1C ZINC000120146087 415755871 /nfs/dbraw/zinc/75/58/71/415755871.db2.gz MZJDATSOHQVGNK-NSHDSACASA-N 0 0 314.411 0.549 10 0 DCAERN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1CC(C)C ZINC000120003049 415757470 /nfs/dbraw/zinc/75/74/70/415757470.db2.gz RVWKNKUSBRCCEB-ZWNOBZJWSA-N 0 0 308.382 0.562 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N(C)C[C@H]2CCCO2)CC1 ZINC000122651105 415836575 /nfs/dbraw/zinc/83/65/75/415836575.db2.gz YDARMYVPGVHYEX-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1[C@H](CO)CCCN1C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334048790 415793954 /nfs/dbraw/zinc/79/39/54/415793954.db2.gz QYGGFBOSDIUZGN-MROQNXINSA-N 0 0 309.370 0.020 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000121672962 415814666 /nfs/dbraw/zinc/81/46/66/415814666.db2.gz OSGAYJGWWRCFTA-UHFFFAOYSA-N 0 0 300.318 0.945 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)CNC(=O)c1ccccc1C ZINC000121813929 415817888 /nfs/dbraw/zinc/81/78/88/415817888.db2.gz BPKXHZCFOZGWQI-AWEZNQCLSA-N 0 0 318.373 0.931 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCCCCC2)n(C)n1 ZINC000125595110 415869055 /nfs/dbraw/zinc/86/90/55/415869055.db2.gz WBDHUOGXPZDKJA-UHFFFAOYSA-N 0 0 308.382 0.950 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000127386067 415886197 /nfs/dbraw/zinc/88/61/97/415886197.db2.gz DAFDPVNIOMVZOM-GFCCVEGCSA-N 0 0 320.393 0.678 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000356368935 415909314 /nfs/dbraw/zinc/90/93/14/415909314.db2.gz OBKCFCMWADVVMZ-DYEKYZERSA-N 0 0 308.334 0.161 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337303244 415940855 /nfs/dbraw/zinc/94/08/55/415940855.db2.gz QJZNCNUYMKZYEC-BFHYXJOUSA-N 0 0 310.394 0.387 10 0 DCAERN O=C(Cc1cccc(F)c1F)NC[C@@H](O)CN1CCOCC1 ZINC000133111605 415942085 /nfs/dbraw/zinc/94/20/85/415942085.db2.gz OXOJUCVJYMTYLV-GFCCVEGCSA-N 0 0 314.332 0.317 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCC1=O ZINC000133838768 415950718 /nfs/dbraw/zinc/95/07/18/415950718.db2.gz ZGTCFRAJFXWTFV-YPMHNXCESA-N 0 0 302.330 0.505 10 0 DCAERN CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000134078845 415953999 /nfs/dbraw/zinc/95/39/99/415953999.db2.gz HXWRHZPMTOYDIY-GWQWUEFDSA-N 0 0 315.373 0.901 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cscn2)C[C@H](C)O1 ZINC000141611701 415962907 /nfs/dbraw/zinc/96/29/07/415962907.db2.gz JSOZPMJRYPBHOE-AOOOYVTPSA-N 0 0 305.425 0.929 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000153100502 415974852 /nfs/dbraw/zinc/97/48/52/415974852.db2.gz WCMZBHIYTLNRQY-HOCLYGCPSA-N 0 0 322.405 0.089 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)[C@@H]1CCCO1 ZINC000153403311 415980666 /nfs/dbraw/zinc/98/06/66/415980666.db2.gz RPCAOONHMNCSKH-WPRPVWTQSA-N 0 0 316.308 0.770 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(F)c1 ZINC000153511608 415981805 /nfs/dbraw/zinc/98/18/05/415981805.db2.gz FQNPJZITNJHGDF-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1SCCc2sccc21 ZINC000153526737 415982226 /nfs/dbraw/zinc/98/22/26/415982226.db2.gz VDRLBLMVYQZUAZ-KWQFWETISA-N 0 0 310.400 1.000 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000153646897 415986269 /nfs/dbraw/zinc/98/62/69/415986269.db2.gz FEZICHYRUPPKHA-OLZOCXBDSA-N 0 0 305.382 0.577 10 0 DCAERN CN1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1=O ZINC000153747721 415988396 /nfs/dbraw/zinc/98/83/96/415988396.db2.gz JUZVSFWEQDVPJR-UHFFFAOYSA-N 0 0 302.377 0.066 10 0 DCAERN COc1ncccc1C(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000155391978 415996292 /nfs/dbraw/zinc/99/62/92/415996292.db2.gz NMTLTIVOZLTHNQ-LLVKDONJSA-N 0 0 304.306 0.995 10 0 DCAERN Cc1oc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2O3)cc1S(N)(=O)=O ZINC000157271051 415997721 /nfs/dbraw/zinc/99/77/21/415997721.db2.gz UYWRRWLVTXJRFV-VGMNWLOBSA-N 0 0 300.336 0.285 10 0 DCAERN CC(=O)NC1(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000132895490 415937292 /nfs/dbraw/zinc/93/72/92/415937292.db2.gz YNGCCNPHOJLTHH-QWHCGFSZSA-N 0 0 309.410 0.986 10 0 DCAERN CCOc1cc(C)nc(N2CCN(C[C@H](O)COC)CC2)n1 ZINC000171973376 416042185 /nfs/dbraw/zinc/04/21/85/416042185.db2.gz FWFYBMCPBPSRJJ-ZDUSSCGKSA-N 0 0 310.398 0.313 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000357208889 416045416 /nfs/dbraw/zinc/04/54/16/416045416.db2.gz WVBHOQGRYHJISL-RYUDHWBXSA-N 0 0 303.428 0.516 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000357226248 416047658 /nfs/dbraw/zinc/04/76/58/416047658.db2.gz DYGYYEDOGUHKNC-UHFFFAOYSA-N 0 0 305.342 0.312 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC000174502927 416079790 /nfs/dbraw/zinc/07/97/90/416079790.db2.gz KESVRVLRGRPCTF-SECBINFHSA-N 0 0 318.370 0.903 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000173038472 416052398 /nfs/dbraw/zinc/05/23/98/416052398.db2.gz LRNAPCJRXHLJSO-HUBLWGQQSA-N 0 0 311.426 0.467 10 0 DCAERN CC[C@@H](OC1CCCC1)C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084474 416052818 /nfs/dbraw/zinc/05/28/18/416052818.db2.gz CBVICYKTXATHIQ-GFCCVEGCSA-N 0 0 309.366 0.760 10 0 DCAERN COc1cccc(F)c1[C@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000173304162 416055294 /nfs/dbraw/zinc/05/52/94/416055294.db2.gz YJQDJHLEXJKGHI-LURJTMIESA-N 0 0 322.296 0.284 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@H](O)c3ccccc3)CCO2)[nH]1 ZINC000173405923 416056601 /nfs/dbraw/zinc/05/66/01/416056601.db2.gz KYFOVSRGRIZMRU-QWHCGFSZSA-N 0 0 302.334 0.747 10 0 DCAERN Cc1nn(C)c(C)c1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173485216 416059079 /nfs/dbraw/zinc/05/90/79/416059079.db2.gz ZMCSLDRPWHHRSI-AWEZNQCLSA-N 0 0 321.425 0.653 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCNC(=O)C(C)(C)C)CCO2)[nH]1 ZINC000173536867 416059873 /nfs/dbraw/zinc/05/98/73/416059873.db2.gz FRFVYJHMPUTVEH-NSHDSACASA-N 0 0 323.397 0.565 10 0 DCAERN CC(=O)N1CCN(CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000357308690 416060207 /nfs/dbraw/zinc/06/02/07/416060207.db2.gz SXOSGGXAXLZOGY-CQSZACIVSA-N 0 0 313.442 0.718 10 0 DCAERN CCCC(=O)NCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173565777 416062460 /nfs/dbraw/zinc/06/24/60/416062460.db2.gz GKCBIZMISSBCSZ-JTQLQIEISA-N 0 0 309.370 0.183 10 0 DCAERN CCc1nc(C2(NCCCS(N)(=O)=O)CCCC2)no1 ZINC000173695853 416063981 /nfs/dbraw/zinc/06/39/81/416063981.db2.gz IWZJZUWUDWTWRK-UHFFFAOYSA-N 0 0 302.400 0.670 10 0 DCAERN C[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)Cn1cccn1 ZINC000173788210 416065917 /nfs/dbraw/zinc/06/59/17/416065917.db2.gz DFGWBUUHHKIUCI-LSDHHAIUSA-N 0 0 321.425 0.635 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173892173 416068049 /nfs/dbraw/zinc/06/80/49/416068049.db2.gz WRXYQZHKGWBWNR-UONOGXRCSA-N 0 0 324.425 0.113 10 0 DCAERN COCCOCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173877814 416068263 /nfs/dbraw/zinc/06/82/63/416068263.db2.gz PQRFLEXUCCXRAP-UONOGXRCSA-N 0 0 300.399 0.219 10 0 DCAERN CCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173901409 416068399 /nfs/dbraw/zinc/06/83/99/416068399.db2.gz GULGMUXFUHGRFH-LLVKDONJSA-N 0 0 313.427 0.817 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H](C)C[S@@](C)=O ZINC000300110329 416071258 /nfs/dbraw/zinc/07/12/58/416071258.db2.gz RFGVNFJRHJPYQA-GZYLLAKZSA-N 0 0 311.425 0.015 10 0 DCAERN COC(C)(C)CNC(=O)c1sc(S(N)(=O)=O)cc1C ZINC000174160752 416074549 /nfs/dbraw/zinc/07/45/49/416074549.db2.gz PFQQJJGVUAGMPI-UHFFFAOYSA-N 0 0 306.409 0.859 10 0 DCAERN CN(CCN1CCCC1=O)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301224845 416077819 /nfs/dbraw/zinc/07/78/19/416077819.db2.gz FEESTBMNKHGHOC-CYBMUJFWSA-N 0 0 319.409 0.496 10 0 DCAERN COc1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1C(N)=O ZINC000158860102 416003361 /nfs/dbraw/zinc/00/33/61/416003361.db2.gz DQYCGXQKPAZHND-NSHDSACASA-N 0 0 316.379 0.089 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158774165 416003986 /nfs/dbraw/zinc/00/39/86/416003986.db2.gz YMMCCUPSMAQEEX-WCQYABFASA-N 0 0 310.350 0.639 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCc1nccn1CC(C)C ZINC000159017014 416006025 /nfs/dbraw/zinc/00/60/25/416006025.db2.gz MIOJCSPIDNGTCQ-LBPRGKRZSA-N 0 0 307.398 0.959 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCN(C)C3=O)C2)no1 ZINC000163869136 416016713 /nfs/dbraw/zinc/01/67/13/416016713.db2.gz CZKZQCTWSRSMQQ-RYUDHWBXSA-N 0 0 321.381 0.573 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C ZINC000166728279 416022747 /nfs/dbraw/zinc/02/27/47/416022747.db2.gz FYUKCSXQLVSCKE-ZDUSSCGKSA-N 0 0 303.362 0.979 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000166721194 416023140 /nfs/dbraw/zinc/02/31/40/416023140.db2.gz WJARHTSQTQEIQJ-CQSZACIVSA-N 0 0 315.373 0.851 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COCCc2ccccc2)C1 ZINC000345057330 416036875 /nfs/dbraw/zinc/03/68/75/416036875.db2.gz UIIQFCHITLKAFW-KBPBESRZSA-N 0 0 306.362 0.347 10 0 DCAERN Cn1cc(NC(=O)NCCc2cccc(C(N)=O)c2)ccc1=O ZINC000171058803 416036910 /nfs/dbraw/zinc/03/69/10/416036910.db2.gz ONGCTOFDROQCTN-UHFFFAOYSA-N 0 0 314.345 0.848 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)NCc1cccnc1-n1cncn1 ZINC000171377700 416039148 /nfs/dbraw/zinc/03/91/48/416039148.db2.gz QMGIRMBYEQIULG-MNOVXSKESA-N 0 0 301.306 0.088 10 0 DCAERN COCCN(CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000171732366 416040272 /nfs/dbraw/zinc/04/02/72/416040272.db2.gz PWVJRPAKLMVGOB-GFCCVEGCSA-N 0 0 306.428 0.037 10 0 DCAERN NC(=O)c1cc(Cl)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000301464817 416083530 /nfs/dbraw/zinc/08/35/30/416083530.db2.gz GVYLCVKRHMICPW-SECBINFHSA-N 0 0 311.773 0.140 10 0 DCAERN CCOc1cccc(N2CCN(C(=O)CC(=O)N(C)C)CC2)n1 ZINC000174682922 416084339 /nfs/dbraw/zinc/08/43/39/416084339.db2.gz GQVMBZZCKQAIFD-UHFFFAOYSA-N 0 0 320.393 0.607 10 0 DCAERN CC(C)C[C@@H](CCO)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000174750832 416086553 /nfs/dbraw/zinc/08/65/53/416086553.db2.gz VITCLXBEPBEINZ-KGLIPLIRSA-N 0 0 301.431 0.661 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174928294 416089997 /nfs/dbraw/zinc/08/99/97/416089997.db2.gz WNTVZPFZBRHCRU-KGLIPLIRSA-N 0 0 319.409 0.282 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C)on3)C2=O)n(C)n1 ZINC000175001780 416094522 /nfs/dbraw/zinc/09/45/22/416094522.db2.gz HFRGSPNJUQXMOH-LLVKDONJSA-N 0 0 317.349 0.950 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2=O)n(C)n1 ZINC000175018186 416094708 /nfs/dbraw/zinc/09/47/08/416094708.db2.gz BXCHPZYJDWBFHO-OLZOCXBDSA-N 0 0 320.393 0.767 10 0 DCAERN Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)c2cnn(C)c2n1 ZINC000175261080 416101421 /nfs/dbraw/zinc/10/14/21/416101421.db2.gz QXHJJPHSHKCGTE-GFCCVEGCSA-N 0 0 317.393 0.727 10 0 DCAERN Cc1nc(CNC(=O)NCCNC(=O)c2cccs2)no1 ZINC000175576909 416111112 /nfs/dbraw/zinc/11/11/12/416111112.db2.gz OOSSQGOXSUFJSR-UHFFFAOYSA-N 0 0 309.351 0.669 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)CCCF)CC2 ZINC000175582544 416111458 /nfs/dbraw/zinc/11/14/58/416111458.db2.gz MHQRILXJOTZSOU-JTQLQIEISA-N 0 0 304.391 0.995 10 0 DCAERN CC(=O)c1ccc(OCCCC(=O)NC[C@](C)(O)CO)cc1 ZINC000338625318 416118187 /nfs/dbraw/zinc/11/81/87/416118187.db2.gz JZYUFNDSVORQAT-INIZCTEOSA-N 0 0 309.362 0.908 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NC[C@]1(O)CCSC1 ZINC000176208660 416120799 /nfs/dbraw/zinc/12/07/99/416120799.db2.gz JDDGEFQCYYPCAD-CQSZACIVSA-N 0 0 310.423 0.815 10 0 DCAERN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1O ZINC000328606235 416123848 /nfs/dbraw/zinc/12/38/48/416123848.db2.gz QUHAEIZQJZJCMJ-GBJTYRQASA-N 0 0 318.373 0.378 10 0 DCAERN CC[C@H](C)CN1C(=O)N[C@H](Cc2cn(CCOC)nn2)C1=O ZINC000328610823 416123895 /nfs/dbraw/zinc/12/38/95/416123895.db2.gz JFMDVGLMUJSIAJ-CMPLNLGQSA-N 0 0 309.370 0.638 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCn3ccnc32)C[C@H]1N1CCOCC1 ZINC000176475834 416127498 /nfs/dbraw/zinc/12/74/98/416127498.db2.gz GBANHJNCHBZVNP-RBSFLKMASA-N 0 0 318.421 0.940 10 0 DCAERN C[C@](O)(CNC(=O)c1ccc(Cl)cn1)CN1CCOCC1 ZINC000176490500 416128589 /nfs/dbraw/zinc/12/85/89/416128589.db2.gz VNNXFJMCMBSXSH-AWEZNQCLSA-N 0 0 313.785 0.548 10 0 DCAERN CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)c1nccs1 ZINC000176815391 416134280 /nfs/dbraw/zinc/13/42/80/416134280.db2.gz QLJIIRXPUTZXME-VIFPVBQESA-N 0 0 305.425 0.992 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CCc3nnc[nH]3)C2)cn1 ZINC000177230287 416141810 /nfs/dbraw/zinc/14/18/10/416141810.db2.gz SQJHYWNURYJWGF-LLVKDONJSA-N 0 0 303.370 0.256 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000177764399 416151444 /nfs/dbraw/zinc/15/14/44/416151444.db2.gz ZAPJRXGHDWRIPR-LBPRGKRZSA-N 0 0 303.370 0.684 10 0 DCAERN CO[C@@H]1C[C@H](CO)N(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000345844420 416157437 /nfs/dbraw/zinc/15/74/37/416157437.db2.gz QUXZUGLUVHZDNP-VXGBXAGGSA-N 0 0 323.397 0.296 10 0 DCAERN CC1(C)CN(CCNC(=O)CNC(=O)c2cccnc2)CCO1 ZINC000177862016 416153265 /nfs/dbraw/zinc/15/32/65/416153265.db2.gz SGFWHEASIDJLJB-UHFFFAOYSA-N 0 0 320.393 0.038 10 0 DCAERN CN1CC[C@H](NC(=O)N2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000177960263 416154620 /nfs/dbraw/zinc/15/46/20/416154620.db2.gz QGTODXFZPGJZKL-OLZOCXBDSA-N 0 0 304.350 0.475 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCc1nc(CSC)no1)C(C)C ZINC000178597661 416166464 /nfs/dbraw/zinc/16/64/64/416166464.db2.gz QIWFBAKKITWBTF-GFCCVEGCSA-N 0 0 314.411 0.752 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(C)C ZINC000178677828 416169038 /nfs/dbraw/zinc/16/90/38/416169038.db2.gz XCLNKEXKEWCMEB-OLZOCXBDSA-N 0 0 309.410 0.522 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cn(Cc2cccs2)nn1)C(C)C ZINC000178718452 416171138 /nfs/dbraw/zinc/17/11/38/416171138.db2.gz XFNVEWWQGORACW-LBPRGKRZSA-N 0 0 321.406 0.888 10 0 DCAERN O=C(NC[C@@H]1CN2CCN1CC2)C(=O)Nc1cccc(Cl)c1 ZINC000178963682 416178864 /nfs/dbraw/zinc/17/88/64/416178864.db2.gz BXAWPURDZBAZGJ-CYBMUJFWSA-N 0 0 322.796 0.395 10 0 DCAERN CC(C)NC(=O)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000179091623 416183166 /nfs/dbraw/zinc/18/31/66/416183166.db2.gz BRQKBBQIUUWFFA-LBPRGKRZSA-N 0 0 308.378 0.977 10 0 DCAERN COc1n[nH]c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)n1 ZINC000179378505 416186642 /nfs/dbraw/zinc/18/66/42/416186642.db2.gz MYIRQUSFXKZIAL-QMMMGPOBSA-N 0 0 314.309 0.667 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCC12CCCC2 ZINC000358105075 416191957 /nfs/dbraw/zinc/19/19/57/416191957.db2.gz DQLQHKLLYXNNPT-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000180322589 416195816 /nfs/dbraw/zinc/19/58/16/416195816.db2.gz BTYHHGBCQGVRRQ-GFCCVEGCSA-N 0 0 304.354 0.623 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)ccc1C ZINC000180598693 416199585 /nfs/dbraw/zinc/19/95/85/416199585.db2.gz OAUCSJMQIPKNCM-HNNXBMFYSA-N 0 0 319.405 0.943 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181336335 416205799 /nfs/dbraw/zinc/20/57/99/416205799.db2.gz CYFMIOAETKRHDX-CQSZACIVSA-N 0 0 321.425 0.588 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181363057 416206294 /nfs/dbraw/zinc/20/62/94/416206294.db2.gz IYMPBFUJGUHDLZ-QWHCGFSZSA-N 0 0 322.413 0.120 10 0 DCAERN CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)O2 ZINC000181470025 416208000 /nfs/dbraw/zinc/20/80/00/416208000.db2.gz TYZVDIRJMIXPRQ-WJEHIRDRSA-N 0 0 312.410 0.755 10 0 DCAERN CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000358194633 416209184 /nfs/dbraw/zinc/20/91/84/416209184.db2.gz SECFMGWGRHOHMM-MRXNPFEDSA-N 0 0 324.469 0.906 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(Cc2c(C)nn(C)c2OC)C1 ZINC000181555293 416209253 /nfs/dbraw/zinc/20/92/53/416209253.db2.gz UXKPISOLECHSKW-NSHDSACASA-N 0 0 316.427 0.251 10 0 DCAERN NS(=O)(=O)c1cccc(CNC(=O)NCCc2cn[nH]c2)c1 ZINC000358190742 416209345 /nfs/dbraw/zinc/20/93/45/416209345.db2.gz WHVDKBNTKBHHGU-UHFFFAOYSA-N 0 0 323.378 0.099 10 0 DCAERN Cn1ccc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000358208097 416211821 /nfs/dbraw/zinc/21/18/21/416211821.db2.gz FHUADQPYYFUGHX-AWEZNQCLSA-N 0 0 320.393 0.604 10 0 DCAERN Cc1ccc(C[N@H+](CCO)C[C@H](O)CN2CCCC2=O)cc1 ZINC000181969762 416213552 /nfs/dbraw/zinc/21/35/52/416213552.db2.gz ICLUHAQRRUHFHO-INIZCTEOSA-N 0 0 306.406 0.773 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H](CO)C1CC1 ZINC000358303199 416221222 /nfs/dbraw/zinc/22/12/22/416221222.db2.gz KGJWQROQBFQRSI-CYBMUJFWSA-N 0 0 308.353 0.619 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC[C@H]1CN1CCOCC1 ZINC000182464371 416222196 /nfs/dbraw/zinc/22/21/96/416222196.db2.gz YWDXARSRLRCVAS-AWEZNQCLSA-N 0 0 322.413 0.174 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@@H](CO)C1CC1 ZINC000358327099 416223725 /nfs/dbraw/zinc/22/37/25/416223725.db2.gz WTLCEPBRQNMUIJ-WPRPVWTQSA-N 0 0 311.411 0.623 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CCNC(=O)Cc1ccccc1 ZINC000182822754 416231574 /nfs/dbraw/zinc/23/15/74/416231574.db2.gz ZSRDLQCAOPVNTH-QGZVFWFLSA-N 0 0 322.405 0.639 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cccc(Br)n1 ZINC000182813714 416231875 /nfs/dbraw/zinc/23/18/75/416231875.db2.gz IBRMLUBOLFAKSJ-ZETCQYMHSA-N 0 0 312.123 0.379 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@@H](C)COC)CCO2)[nH]1 ZINC000178141523 416157628 /nfs/dbraw/zinc/15/76/28/416157628.db2.gz JPJOFDBBCHZSLM-GHMZBOCLSA-N 0 0 311.386 0.733 10 0 DCAERN O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCN(C2CC2)CC1 ZINC000178163633 416158056 /nfs/dbraw/zinc/15/80/56/416158056.db2.gz XIVMCBZBBIBTQQ-LLVKDONJSA-N 0 0 303.366 0.069 10 0 DCAERN COCCC1(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000178445570 416162539 /nfs/dbraw/zinc/16/25/39/416162539.db2.gz GXBPEGFDZRTSLG-AWEZNQCLSA-N 0 0 324.421 0.901 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cnn(CCC(F)(F)F)c1 ZINC000183686897 416248860 /nfs/dbraw/zinc/24/88/60/416248860.db2.gz FUNVUYDDOQLZAZ-MRVPVSSYSA-N 0 0 318.255 0.371 10 0 DCAERN O=C(NCCNC(=O)c1ccc(F)cc1)NC[C@H](CO)C1CC1 ZINC000358534447 416251925 /nfs/dbraw/zinc/25/19/25/416251925.db2.gz JBGMKIXVLULKTM-CYBMUJFWSA-N 0 0 323.368 0.873 10 0 DCAERN Cc1cc(N2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)n[nH]1 ZINC000187185890 416260794 /nfs/dbraw/zinc/26/07/94/416260794.db2.gz KYFDTNNAIALISH-UHFFFAOYSA-N 0 0 320.397 0.171 10 0 DCAERN C[C@]1(O)CCN(C(=O)NC2CCN(c3ncccn3)CC2)C1 ZINC000188317629 416263066 /nfs/dbraw/zinc/26/30/66/416263066.db2.gz BKKPBBIPVQNZIY-HNNXBMFYSA-N 0 0 305.382 0.612 10 0 DCAERN COCC(C)(C)CCCNC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000358632730 416263396 /nfs/dbraw/zinc/26/33/96/416263396.db2.gz BEFNNXPXPVPELZ-NSHDSACASA-N 0 0 300.403 0.891 10 0 DCAERN Cn1ccc(CC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n1 ZINC000183049718 416235508 /nfs/dbraw/zinc/23/55/08/416235508.db2.gz LZKKRVMHVICHCP-CQSZACIVSA-N 0 0 313.361 0.669 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[S@](C)=O)cc1 ZINC000183181449 416236278 /nfs/dbraw/zinc/23/62/78/416236278.db2.gz KTOQSCYVNBPERH-HOGDKLEQSA-N 0 0 318.420 0.092 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000183365920 416239649 /nfs/dbraw/zinc/23/96/49/416239649.db2.gz LVEPWOQRTGKWOI-NSHDSACASA-N 0 0 307.398 0.847 10 0 DCAERN C[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCS(=O)(=O)C1 ZINC000192117205 416299997 /nfs/dbraw/zinc/29/99/97/416299997.db2.gz VDHDQLZPBOTXMY-NSHDSACASA-N 0 0 324.406 0.942 10 0 DCAERN NS(=O)(=O)c1ccc(N2CC(CO)C2)c(C(F)(F)F)c1 ZINC000192180280 416301437 /nfs/dbraw/zinc/30/14/37/416301437.db2.gz OZOGACYVTRDKJB-UHFFFAOYSA-N 0 0 310.297 0.781 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)NCc2cccnn2)no1 ZINC000359050844 416301780 /nfs/dbraw/zinc/30/17/80/416301780.db2.gz FDBLSVVFGHNCET-UHFFFAOYSA-N 0 0 319.321 0.986 10 0 DCAERN C[C@@H](CNC(=O)CCC(=O)OC(C)(C)C)N1CCOCC1 ZINC000192365928 416306142 /nfs/dbraw/zinc/30/61/42/416306142.db2.gz RCRRHACIXQHMOF-LBPRGKRZSA-N 0 0 300.399 0.945 10 0 DCAERN Cn1cc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)ccc1=O ZINC000193688051 416318797 /nfs/dbraw/zinc/31/87/97/416318797.db2.gz CCUFSIMRMFPSEJ-UHFFFAOYSA-N 0 0 313.317 0.877 10 0 DCAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)C(C)C ZINC000193599306 416319152 /nfs/dbraw/zinc/31/91/52/416319152.db2.gz GCDVTWXYHBXBAE-SNVBAGLBSA-N 0 0 312.757 0.560 10 0 DCAERN Cc1cccc(C)c1-n1nnnc1CN1CCCN(C)C(=O)C1 ZINC000191133239 416284313 /nfs/dbraw/zinc/28/43/13/416284313.db2.gz ZQPJNQJCWJONCI-UHFFFAOYSA-N 0 0 314.393 0.943 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN2CCN(C)C(=O)C2)c1 ZINC000331264675 416297656 /nfs/dbraw/zinc/29/76/56/416297656.db2.gz AYNFNDRQWOSYTI-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000253354599 416334562 /nfs/dbraw/zinc/33/45/62/416334562.db2.gz FADVGNKZMNCUOG-MNOVXSKESA-N 0 0 314.411 0.743 10 0 DCAERN Cc1noc([C@@H]2C[C@@H](O)CN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000359436511 416345353 /nfs/dbraw/zinc/34/53/53/416345353.db2.gz XLXXOGDYEXZFLA-KOLCDFICSA-N 0 0 304.306 0.323 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2c[nH]cc(C)c2=O)n1 ZINC000359436508 416345717 /nfs/dbraw/zinc/34/57/17/416345717.db2.gz XLXXOGDYEXZFLA-GXSJLCMTSA-N 0 0 304.306 0.323 10 0 DCAERN COC(=O)[C@@H](C1CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000359583558 416351382 /nfs/dbraw/zinc/35/13/82/416351382.db2.gz JJOZANLHZDTCDI-OAHLLOKOSA-N 0 0 309.410 0.178 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@@H](C)CN1CCCC1=O ZINC000194312901 416322867 /nfs/dbraw/zinc/32/28/67/416322867.db2.gz PRMNSKBWAOCXMY-NSHDSACASA-N 0 0 321.425 0.890 10 0 DCAERN C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000195489217 416326557 /nfs/dbraw/zinc/32/65/57/416326557.db2.gz XADZVVACAJPSHO-ZANVPECISA-N 0 0 314.345 0.747 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000237958501 416329124 /nfs/dbraw/zinc/32/91/24/416329124.db2.gz HWAVOZVLHRHMRV-CABCVRRESA-N 0 0 312.410 0.552 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000237912385 416329253 /nfs/dbraw/zinc/32/92/53/416329253.db2.gz RCFXPGIHXFAQDB-KBPBESRZSA-N 0 0 312.316 0.853 10 0 DCAERN O=C([C@H]1COCCN1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000238010114 416329515 /nfs/dbraw/zinc/32/95/15/416329515.db2.gz HWAVOZVLHRHMRV-LSDHHAIUSA-N 0 0 312.410 0.552 10 0 DCAERN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[C@H]1COCCN1 ZINC000237975482 416329629 /nfs/dbraw/zinc/32/96/29/416329629.db2.gz KKCYFIPEKXWLPS-CVEARBPZSA-N 0 0 319.405 0.165 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)NC[C@H](CO)C2CC2)cc1 ZINC000359825170 416361008 /nfs/dbraw/zinc/36/10/08/416361008.db2.gz VDTRZDXYXKPDCK-CYBMUJFWSA-N 0 0 312.391 0.223 10 0 DCAERN Cc1ccc(NC(=O)CN(C)C(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360490850 416392275 /nfs/dbraw/zinc/39/22/75/416392275.db2.gz LJGHXIGELJMAPG-UHFFFAOYSA-N 0 0 318.377 0.123 10 0 DCAERN Cc1cccc(C)c1OCCNC(=O)CN1CC(=O)N(C)C1 ZINC000360492519 416393224 /nfs/dbraw/zinc/39/32/24/416393224.db2.gz UOQYZUNMPQVRGM-UHFFFAOYSA-N 0 0 305.378 0.530 10 0 DCAERN COc1ccc(CCNC(=O)CN2CC(=O)N(C)C2)cc1OC ZINC000360505833 416393893 /nfs/dbraw/zinc/39/38/93/416393893.db2.gz WEYSZNLNLBXOSX-UHFFFAOYSA-N 0 0 321.377 0.094 10 0 DCAERN CN(CC1CC1)S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000360630191 416400319 /nfs/dbraw/zinc/40/03/19/416400319.db2.gz RISJBUSBCQPDTJ-UHFFFAOYSA-N 0 0 322.394 0.789 10 0 DCAERN CCN1C[C@H](NC(=O)NCCc2cccc(OC)n2)CC1=O ZINC000458526017 416476569 /nfs/dbraw/zinc/47/65/69/416476569.db2.gz RSUHJLDZDSUWQQ-GFCCVEGCSA-N 0 0 306.366 0.553 10 0 DCAERN Cc1cc(C(F)(F)F)nc(N2CCC[C@@](O)(C(N)=O)C2)n1 ZINC000583618083 416479095 /nfs/dbraw/zinc/47/90/95/416479095.db2.gz ASPXFYCZVDUKJL-NSHDSACASA-N 0 0 304.272 0.620 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000583619597 416480220 /nfs/dbraw/zinc/48/02/20/416480220.db2.gz BJLOWUIEWWFEOQ-STQMWFEESA-N 0 0 320.324 0.628 10 0 DCAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000583623949 416480716 /nfs/dbraw/zinc/48/07/16/416480716.db2.gz PIAVZDPXUJEGBM-VXGBXAGGSA-N 0 0 305.382 0.318 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NCc2nnc3ccccn32)[C@H]1OC ZINC000361229445 416426887 /nfs/dbraw/zinc/42/68/87/416426887.db2.gz ANJMNNQFRYHTDT-JTNHKYCSSA-N 0 0 319.365 0.721 10 0 DCAERN COC(=O)CC1(CC(=O)NCC(=O)NCC(F)F)CCCC1 ZINC000361363103 416431801 /nfs/dbraw/zinc/43/18/01/416431801.db2.gz XIYDULJJHMOEJZ-UHFFFAOYSA-N 0 0 320.336 0.998 10 0 DCAERN C/C=C/C[C@H](NC(=O)CS(=O)(=O)CCC)C(=O)OCC ZINC000361570770 416451424 /nfs/dbraw/zinc/45/14/24/416451424.db2.gz XYONWMSIOGMMOD-ZPMKCOPCSA-N 0 0 305.396 0.825 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC000535713644 416524907 /nfs/dbraw/zinc/52/49/07/416524907.db2.gz IOWUKLHIILIMBD-JTQLQIEISA-N 0 0 300.322 0.355 10 0 DCAERN COC[C@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(F)cc1 ZINC000435842159 416537248 /nfs/dbraw/zinc/53/72/48/416537248.db2.gz BTGPGUKEMOZMHV-LBPRGKRZSA-N 0 0 321.308 1.565 10 0 DCAERN COCCCNC(=O)CN1CCO[C@H](COc2ccccc2)C1 ZINC000361986832 416539850 /nfs/dbraw/zinc/53/98/50/416539850.db2.gz RNYSPPUZXTUPDP-INIZCTEOSA-N 0 0 322.405 0.919 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)NCCCC(N)=O)sc2C1 ZINC000434736542 416493733 /nfs/dbraw/zinc/49/37/33/416493733.db2.gz HBYFCSWIPONFRI-MRVPVSSYSA-N 0 0 324.406 0.588 10 0 DCAERN COCCN(C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434946804 416505192 /nfs/dbraw/zinc/50/51/92/416505192.db2.gz KNNBMFFMZDWFKE-UHFFFAOYSA-N 0 0 309.366 1.550 10 0 DCAERN CCc1nnc([C@H](C)NC(=O)NCc2nnc3ccccn32)[nH]1 ZINC000534991449 416510750 /nfs/dbraw/zinc/51/07/50/416510750.db2.gz HDQSXQRJUDUOFD-VIFPVBQESA-N 0 0 314.353 0.970 10 0 DCAERN CCOC(=O)COCCNC(=O)N1CCSC[C@@H]1CCO ZINC000458960344 416515318 /nfs/dbraw/zinc/51/53/18/416515318.db2.gz GHOKOLPBFMDRCZ-NSHDSACASA-N 0 0 320.411 0.076 10 0 DCAERN COc1cccc(OCC(=O)NCCn2cnccc2=O)c1 ZINC000585238094 416520329 /nfs/dbraw/zinc/52/03/29/416520329.db2.gz KIBPLYCENPCBNO-UHFFFAOYSA-N 0 0 303.318 0.447 10 0 DCAERN COC(=O)c1[nH]c(C)c(C(=O)N2CC(n3ccnn3)C2)c1C ZINC000361910611 416520537 /nfs/dbraw/zinc/52/05/37/416520537.db2.gz KJSURBBMZHALSE-UHFFFAOYSA-N 0 0 303.322 0.707 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c(O)cccc1O ZINC000436647805 416564809 /nfs/dbraw/zinc/56/48/09/416564809.db2.gz LMIMMSJWZZSADB-LLVKDONJSA-N 0 0 320.345 0.608 10 0 DCAERN CN(Cc1nnnn1C)C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000540939276 416598862 /nfs/dbraw/zinc/59/88/62/416598862.db2.gz UBNSFCHWXFZUAU-UHFFFAOYSA-N 0 0 312.337 0.278 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2)[C@@H](C(=O)OC)C1 ZINC000540964627 416601038 /nfs/dbraw/zinc/60/10/38/416601038.db2.gz DJMUYBOOMXZAMN-DGCLKSJQSA-N 0 0 321.329 0.959 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439045830 416605661 /nfs/dbraw/zinc/60/56/61/416605661.db2.gz YRBLHKWARWCDNP-WPRPVWTQSA-N 0 0 316.361 0.326 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(C)c1O ZINC000436715915 416568155 /nfs/dbraw/zinc/56/81/55/416568155.db2.gz MQSMWXSZFFFBJV-QWRGUYRKSA-N 0 0 322.361 0.887 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1O ZINC000436719044 416569918 /nfs/dbraw/zinc/56/99/18/416569918.db2.gz YPHAXKIJIORQRG-ZJUUUORDSA-N 0 0 308.334 0.578 10 0 DCAERN CNC(=O)COc1ccc(NC(=O)N(C)CCCO)c(C)c1 ZINC000441799377 416681689 /nfs/dbraw/zinc/68/16/89/416681689.db2.gz IWEPRLULPPSZOQ-UHFFFAOYSA-N 0 0 309.366 0.966 10 0 DCAERN C[S@](=O)C1(CNC(=O)NCC(=O)NC2CCCCC2)CC1 ZINC000441900474 416683233 /nfs/dbraw/zinc/68/32/33/416683233.db2.gz YLPNZDMHPDBMDH-NRFANRHFSA-N 0 0 315.439 0.646 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(CCO)C2CCC2)c1 ZINC000440167973 416629180 /nfs/dbraw/zinc/62/91/80/416629180.db2.gz LDTGLJMVPCKRKC-UHFFFAOYSA-N 0 0 312.391 0.582 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[C@@H](C(N)=O)O1 ZINC000366803410 416637290 /nfs/dbraw/zinc/63/72/90/416637290.db2.gz FOYVGZIKDRRQAI-SJHCENCUSA-N 0 0 323.393 0.228 10 0 DCAERN CN(CCCO)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000440549880 416640076 /nfs/dbraw/zinc/64/00/76/416640076.db2.gz XZYKWJVKJLDSPG-UHFFFAOYSA-N 0 0 321.420 0.312 10 0 DCAERN O=C(c1cccc2nccnc21)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000543587999 416642387 /nfs/dbraw/zinc/64/23/87/416642387.db2.gz OBDBSIBGCBQJJD-NSHDSACASA-N 0 0 311.301 0.006 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@](O)(C(N)=O)C2)[C@@H]1C ZINC000367488908 416648144 /nfs/dbraw/zinc/64/81/44/416648144.db2.gz GLZMDELKMSHIOS-NFFDBFGFSA-N 0 0 311.426 0.240 10 0 DCAERN C[C@@H]1CCOCCN1CC(=O)NC1CCC2(CC1)OCCO2 ZINC000367646263 416650693 /nfs/dbraw/zinc/65/06/93/416650693.db2.gz QNURKYGGKDKHKN-CYBMUJFWSA-N 0 0 312.410 0.899 10 0 DCAERN CCn1c2nnc(CN(C)CCCO)n2c2ccccc2c1=O ZINC000440964462 416654793 /nfs/dbraw/zinc/65/47/93/416654793.db2.gz PPLWWWDXAYFYDR-UHFFFAOYSA-N 0 0 315.377 0.878 10 0 DCAERN CCOC(=O)c1sc(NC[C@H](C)S(N)(=O)=O)nc1C ZINC000611466811 416664036 /nfs/dbraw/zinc/66/40/36/416664036.db2.gz QXAXFQNVMPWWMI-LURJTMIESA-N 0 0 307.397 0.717 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CC(=O)N1C ZINC000368524780 416664747 /nfs/dbraw/zinc/66/47/47/416664747.db2.gz BSSDJKZGCAROBN-MNOVXSKESA-N 0 0 308.407 0.801 10 0 DCAERN COc1c(NC(=O)C(=O)N2CCC23CCC3)cccc1C(N)=O ZINC000441518171 416673323 /nfs/dbraw/zinc/67/33/23/416673323.db2.gz AHWXFHGBTILOOX-UHFFFAOYSA-N 0 0 317.345 0.888 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000441469824 416673550 /nfs/dbraw/zinc/67/35/50/416673550.db2.gz WGGBIXONVOCWIL-ZDUSSCGKSA-N 0 0 320.393 0.941 10 0 DCAERN COc1cccc(CCNC(=O)NCc2ccc(C(N)=O)o2)n1 ZINC000441460211 416674288 /nfs/dbraw/zinc/67/42/88/416674288.db2.gz TUXCPMALOATHFD-UHFFFAOYSA-N 0 0 318.333 0.824 10 0 DCAERN CC(=O)N1CCc2cc(NC(=O)C(=O)N(C)CCCO)ccc21 ZINC000443326332 416750619 /nfs/dbraw/zinc/75/06/19/416750619.db2.gz KANCAHUIIJCXLX-UHFFFAOYSA-N 0 0 319.361 0.375 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[C@@H]3CCCN3C(C)=O)[C@@H]2C1 ZINC000514970208 416686196 /nfs/dbraw/zinc/68/61/96/416686196.db2.gz SGKQVOIOGFCZGN-JJXSEGSLSA-N 0 0 321.421 0.761 10 0 DCAERN CCCNC(=O)CN1CCC(NC(=O)N(C)CCCO)CC1 ZINC000442392277 416692987 /nfs/dbraw/zinc/69/29/87/416692987.db2.gz ZXPNWMFVYHFFDY-UHFFFAOYSA-N 0 0 314.430 0.001 10 0 DCAERN Cc1c[nH]nc1NC(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000552036400 416698617 /nfs/dbraw/zinc/69/86/17/416698617.db2.gz XQLXGWWWMYVRRQ-UHFFFAOYSA-N 0 0 314.305 1.418 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1cncnc1N ZINC000555211169 416711530 /nfs/dbraw/zinc/71/15/30/416711530.db2.gz JQFLBXXAOQYNTG-NSHDSACASA-N 0 0 301.354 0.669 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2cccc(N3CCC3=O)c2)C1 ZINC000516146107 416716030 /nfs/dbraw/zinc/71/60/30/416716030.db2.gz RHCYFQRGTJWZDE-LLVKDONJSA-N 0 0 317.349 0.698 10 0 DCAERN C[C@@H]1Oc2ccc(C(=O)Cn3ncsc3=O)cc2NC1=O ZINC000442913667 416718636 /nfs/dbraw/zinc/71/86/36/416718636.db2.gz PIXXNPTVPSPYEW-ZETCQYMHSA-N 0 0 305.315 0.907 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H]2CCN=C3C2=NNN3C)c1O ZINC000614861293 416719775 /nfs/dbraw/zinc/71/97/75/416719775.db2.gz LRFWJPQSEDYJHO-JTQLQIEISA-N 0 0 315.333 0.758 10 0 DCAERN CCO[C@@H]1C[C@](NC(=O)c2cnn(C)c2N)(C(=O)OC)C1(C)C ZINC000614902815 416722781 /nfs/dbraw/zinc/72/27/81/416722781.db2.gz AHDWHYRPZNIZEC-BMIGLBTASA-N 0 0 324.381 0.479 10 0 DCAERN CN(CCCO)C(=O)[C@H]1CCC[C@H](C(=O)N(C)CCCO)C1 ZINC000442991050 416724237 /nfs/dbraw/zinc/72/42/37/416724237.db2.gz JVFQZRMSLXWMRR-KBPBESRZSA-N 0 0 314.426 0.474 10 0 DCAERN CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCO)c1 ZINC000442987809 416724772 /nfs/dbraw/zinc/72/47/72/416724772.db2.gz DIJVURYUCIBELK-UHFFFAOYSA-N 0 0 300.380 0.439 10 0 DCAERN CN(CCCO)C(=O)[C@@H]1CCC[C@H](C(=O)N(C)CCCO)C1 ZINC000442991051 416725429 /nfs/dbraw/zinc/72/54/29/416725429.db2.gz JVFQZRMSLXWMRR-OKILXGFUSA-N 0 0 314.426 0.474 10 0 DCAERN CNC(=O)C[S@](=O)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000443061978 416729456 /nfs/dbraw/zinc/72/94/56/416729456.db2.gz SVORPXWENNRAGI-OAQYLSRUSA-N 0 0 309.347 0.740 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2nccn2c1)[C@H]1CCOC1 ZINC000557379270 416733331 /nfs/dbraw/zinc/73/33/31/416733331.db2.gz ZVBOWTRYRJOXTO-QWRGUYRKSA-N 0 0 302.334 0.814 10 0 DCAERN CNc1ncc(C(=O)N2CCOC[C@@H]2c2noc(C)n2)s1 ZINC000369225763 416733437 /nfs/dbraw/zinc/73/34/37/416733437.db2.gz KBCXTDABDSVYJP-MRVPVSSYSA-N 0 0 309.351 1.090 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NC(C)(C)c1noc(CC)n1 ZINC000443159644 416733890 /nfs/dbraw/zinc/73/38/90/416733890.db2.gz LVGZMMONKWHZSI-UHFFFAOYSA-N 0 0 319.383 0.740 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)NC2C[C@H](C)O[C@@H](C)C2)[nH]n1 ZINC000557455478 416733951 /nfs/dbraw/zinc/73/39/51/416733951.db2.gz DKLOIQFRWCWULO-DLOVCJGASA-N 0 0 322.409 0.838 10 0 DCAERN Cn1cc(OCC(=O)N[C@@H]2CCN(c3ncccc3F)C2)cn1 ZINC000558577243 416778020 /nfs/dbraw/zinc/77/80/20/416778020.db2.gz HJWNOMASTCKMPR-LLVKDONJSA-N 0 0 319.340 0.728 10 0 DCAERN Cc1occc1C(=O)NC1CCN([C@@H]2CC(=O)NC2=O)CC1 ZINC000517271640 416793990 /nfs/dbraw/zinc/79/39/90/416793990.db2.gz AOZMBIPWWHWNFE-GFCCVEGCSA-N 0 0 305.334 0.197 10 0 DCAERN Cn1cc(-c2nn(C)cc2C(=O)NC[C@H](O)C(F)(F)F)cn1 ZINC000444112668 416803625 /nfs/dbraw/zinc/80/36/25/416803625.db2.gz MGQLIGIALPBOSR-VIFPVBQESA-N 0 0 317.271 0.474 10 0 DCAERN CCO[C@H]1C[C@@](NCc2nnnn2C2CC2)(C(=O)OC)C1(C)C ZINC000444748663 416863361 /nfs/dbraw/zinc/86/33/61/416863361.db2.gz RAKXSRXMGBRLQJ-XHDPSFHLSA-N 0 0 323.397 0.844 10 0 DCAERN c1nc(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)cs1 ZINC000623652769 416863674 /nfs/dbraw/zinc/86/36/74/416863674.db2.gz PDVQLMHWEGPDDC-SNVBAGLBSA-N 0 0 301.379 0.949 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CC1 ZINC000615632674 416874291 /nfs/dbraw/zinc/87/42/91/416874291.db2.gz VKPFOZYPGHNGJJ-GAFUQQFSSA-N 0 0 309.366 0.248 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCc1ccco1 ZINC000623485838 416831589 /nfs/dbraw/zinc/83/15/89/416831589.db2.gz CMBZHOCCHQTHFI-UHFFFAOYSA-N 0 0 323.393 0.748 10 0 DCAERN CCOC(=O)CC(=O)N[C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444539221 416847020 /nfs/dbraw/zinc/84/70/20/416847020.db2.gz AIBSQKOQUSDZRS-BONVTDFDSA-N 0 0 315.366 0.803 10 0 DCAERN NC(=O)COc1cccc(N2C(=O)CN(C3CCC3)C2=O)c1 ZINC000445914575 416906144 /nfs/dbraw/zinc/90/61/44/416906144.db2.gz VAIFNSYAYLHFRT-UHFFFAOYSA-N 0 0 303.318 0.872 10 0 DCAERN COCCO[C@@H]1C[C@H](CO)CN(C(=O)N[C@H](C)C2CC2)C1 ZINC000446115359 416916237 /nfs/dbraw/zinc/91/62/37/416916237.db2.gz BJUVHXWLXRIWOT-MBNYWOFBSA-N 0 0 300.399 0.840 10 0 DCAERN CC(=O)N1CC[C@@H](CNC(=O)c2ccc(N3CCC3)nc2)C1 ZINC000565099645 416922357 /nfs/dbraw/zinc/92/23/57/416922357.db2.gz MNLVHJYGMSSQCB-ZDUSSCGKSA-N 0 0 302.378 0.890 10 0 DCAERN CCOC(=O)CN(C1CCC1)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447755778 417024013 /nfs/dbraw/zinc/02/40/13/417024013.db2.gz UNRGKKZUQPSGCG-JTQLQIEISA-N 0 0 320.411 0.211 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2)c1 ZINC000447230198 416972514 /nfs/dbraw/zinc/97/25/14/416972514.db2.gz RHHDDBFDQXLWAK-MRVPVSSYSA-N 0 0 309.297 0.168 10 0 DCAERN CNc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cn1 ZINC000375837708 417013234 /nfs/dbraw/zinc/01/32/34/417013234.db2.gz HLGYMJPSOSIOHL-GFCCVEGCSA-N 0 0 300.366 1.267 10 0 DCAERN O=C1[C@H](Nc2nccn3cnnc23)CCCN1c1cccnc1 ZINC000378653706 417082693 /nfs/dbraw/zinc/08/26/93/417082693.db2.gz UECISLJHYXYVKI-GFCCVEGCSA-N 0 0 309.333 1.127 10 0 DCAERN O=C(NCCn1ncnn1)c1csc(Br)c1 ZINC000379840667 417087080 /nfs/dbraw/zinc/08/70/80/417087080.db2.gz DBSYDMFZEZBKFR-UHFFFAOYSA-N 0 0 302.157 0.927 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCCOC[C@@H]1c1cn[nH]n1 ZINC000616649714 417087568 /nfs/dbraw/zinc/08/75/68/417087568.db2.gz WYLMWMLTPWSIBQ-CYBMUJFWSA-N 0 0 308.363 0.957 10 0 DCAERN NS(=O)(=O)N1CCCC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616629556 417088230 /nfs/dbraw/zinc/08/82/30/417088230.db2.gz HHFNWBSOZKLQJD-LBPRGKRZSA-N 0 0 318.420 0.518 10 0 DCAERN C[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)N1C(=O)CCC1=O ZINC000523691541 417088184 /nfs/dbraw/zinc/08/81/84/417088184.db2.gz HIIMKFHDNJLDMW-VIFPVBQESA-N 0 0 313.317 0.948 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616651708 417088350 /nfs/dbraw/zinc/08/83/50/417088350.db2.gz QPRBFFGAHDIFMB-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CC(=O)Nc1ccccc1[C@@H]1CCOCCN1S(N)(=O)=O ZINC000616658590 417088890 /nfs/dbraw/zinc/08/88/90/417088890.db2.gz JCOHZYGPOBSJLJ-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN Nc1ccn([C@@H]2COCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000616663821 417089501 /nfs/dbraw/zinc/08/95/01/417089501.db2.gz MFMOJJPPZKKDLN-LBPRGKRZSA-N 0 0 322.390 0.728 10 0 DCAERN CS(=O)(=O)N1CCOC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616664682 417091324 /nfs/dbraw/zinc/09/13/24/417091324.db2.gz YXVSOAPJJDKHKQ-GFCCVEGCSA-N 0 0 319.404 0.121 10 0 DCAERN Cn1ccnc1[C@H](NC(=O)CN1CCCNC1=O)C(C)(C)CO ZINC000616870221 417123774 /nfs/dbraw/zinc/12/37/74/417123774.db2.gz OUAZHRDMFGYUDS-LBPRGKRZSA-N 0 0 323.397 0.011 10 0 DCAERN Cc1ccn2ncc(C(=O)N[C@@H]3C[C@H](O)[C@H]3n3cccn3)c2c1 ZINC000616772901 417109932 /nfs/dbraw/zinc/10/99/32/417109932.db2.gz DUJZUICTESNLSR-SNPRPXQTSA-N 0 0 311.345 0.944 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000524580539 417110811 /nfs/dbraw/zinc/11/08/11/417110811.db2.gz XQGLXQHHEPGNHU-AAEUAGOBSA-N 0 0 308.378 0.940 10 0 DCAERN O=C(c1nscc1Br)N1C[C@H](O)[C@@H](CO)C1 ZINC000404883127 417120831 /nfs/dbraw/zinc/12/08/31/417120831.db2.gz CLEOQJSMULXWBW-VDTYLAMSSA-N 0 0 307.169 0.331 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCCC[C@H]1C ZINC000408029024 417133264 /nfs/dbraw/zinc/13/32/64/417133264.db2.gz VWTBKQYAMJIOFL-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN CN(C(=O)N1CCC[C@@H]1C(C)(C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000408015257 417133850 /nfs/dbraw/zinc/13/38/50/417133850.db2.gz ARPPIZVZGBMXTA-GHMZBOCLSA-N 0 0 304.412 0.461 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCOCC1 ZINC000624878242 417130082 /nfs/dbraw/zinc/13/00/82/417130082.db2.gz BRDKBNHHGDERNF-UHFFFAOYSA-N 0 0 313.398 0.045 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H]1C(N)=O ZINC000408058762 417138413 /nfs/dbraw/zinc/13/84/13/417138413.db2.gz DHMSIBRQBXESAE-RBQUTUCGSA-N 0 0 311.407 0.020 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)CC2CCC2)CCN1C[C@H](C)O ZINC000408088301 417140899 /nfs/dbraw/zinc/14/08/99/417140899.db2.gz ITZHGIMCAGXGNY-GXTWGEPZSA-N 0 0 304.456 0.893 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)Nc2n[nH]cc2Br)CC(=O)N1 ZINC000408072155 417136633 /nfs/dbraw/zinc/13/66/33/417136633.db2.gz MOGYRSNXICQZLS-PHDIDXHHSA-N 0 0 301.144 1.025 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2CCCC2)CCN1C[C@@H](C)O ZINC000408427990 417161001 /nfs/dbraw/zinc/16/10/01/417161001.db2.gz AZSGRBAILSVACY-CHWSQXEVSA-N 0 0 305.444 0.104 10 0 DCAERN CO[C@H]1CCCC[C@@H]1NC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000408426392 417161222 /nfs/dbraw/zinc/16/12/22/417161222.db2.gz SNVIPTNIZKCXTF-WOPDTQHZSA-N 0 0 304.412 0.773 10 0 DCAERN O=C(NCCNC(=O)c1ccn[nH]1)NCCOCC1CCC1 ZINC000568695543 417162930 /nfs/dbraw/zinc/16/29/30/417162930.db2.gz HXPJIHRENASJME-UHFFFAOYSA-N 0 0 309.370 0.255 10 0 DCAERN O=C(COc1cccc(Br)c1)N[C@H]1CCNC1=O ZINC000616972542 417146558 /nfs/dbraw/zinc/14/65/58/417146558.db2.gz IDGGPPNBEIHAFW-JTQLQIEISA-N 0 0 313.151 0.833 10 0 DCAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C1(C(=O)N(C)C)CC1)CC2 ZINC000408272344 417152227 /nfs/dbraw/zinc/15/22/27/417152227.db2.gz CEBRVDQPGVQIIL-QWHCGFSZSA-N 0 0 324.421 0.633 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000408411197 417157675 /nfs/dbraw/zinc/15/76/75/417157675.db2.gz DWGIGRIMJGJSQQ-KKOKHZNYSA-N 0 0 304.412 0.628 10 0 DCAERN CN(C)c1nc(N2CC[C@H](NC(N)=O)C2)nc2ccccc21 ZINC000450414030 417224876 /nfs/dbraw/zinc/22/48/76/417224876.db2.gz WEMQBKUANQMDTP-JTQLQIEISA-N 0 0 300.366 0.943 10 0 DCAERN COC(=O)C1(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC000408456830 417164924 /nfs/dbraw/zinc/16/49/24/417164924.db2.gz LPVMTKDOXIBDAM-VXGBXAGGSA-N 0 0 301.408 0.981 10 0 DCAERN Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)ncc1C(N)=O ZINC000450598269 417243888 /nfs/dbraw/zinc/24/38/88/417243888.db2.gz WYABGQXSTUNDGV-UHFFFAOYSA-N 0 0 300.322 1.127 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1S(=O)(=O)c1ccco1 ZINC000643703949 417311271 /nfs/dbraw/zinc/31/12/71/417311271.db2.gz HAQCSSPZNVTITQ-LBPRGKRZSA-N 0 0 302.352 0.195 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cc(N)c2)CC1 ZINC000632990642 417311397 /nfs/dbraw/zinc/31/13/97/417311397.db2.gz JEQMFOQDPNGNDN-UHFFFAOYSA-N 0 0 304.350 0.206 10 0 DCAERN C[C@H](O)CC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451280077 417327482 /nfs/dbraw/zinc/32/74/82/417327482.db2.gz UBVGNOADBVLGAL-LBPRGKRZSA-N 0 0 315.439 0.473 10 0 DCAERN COC[C@]1(C(N)=O)CCCN1Cc1ncnn1-c1ccccc1 ZINC000643823437 417390064 /nfs/dbraw/zinc/39/00/64/417390064.db2.gz SAUCKVLEDWMIJE-INIZCTEOSA-N 0 0 315.377 0.734 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000633289942 417402646 /nfs/dbraw/zinc/40/26/46/417402646.db2.gz LSIMGLZNWSPRMY-SNVBAGLBSA-N 0 0 321.299 0.578 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC000633322270 417409151 /nfs/dbraw/zinc/40/91/51/417409151.db2.gz YWGATIIMTFJIAA-STQMWFEESA-N 0 0 316.423 0.423 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451618913 417365412 /nfs/dbraw/zinc/36/54/12/417365412.db2.gz GVVFQUSSVNLUCB-LLVKDONJSA-N 0 0 320.411 0.085 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@@H](C)N2C[C@H](O)C[C@H]2C(N)=O)c1 ZINC000528635062 417369739 /nfs/dbraw/zinc/36/97/39/417369739.db2.gz ORFCVSPPRWRGPB-FZQKWOKYSA-N 0 0 319.361 0.137 10 0 DCAERN C[C@H](c1nnnn1C)N1CCCc2c(OCC(N)=O)cccc21 ZINC000451661852 417374510 /nfs/dbraw/zinc/37/45/10/417374510.db2.gz JQZYUHQHUGNRLV-SNVBAGLBSA-N 0 0 316.365 0.588 10 0 DCAERN CN(CC(=O)NCCOCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000574970711 417496731 /nfs/dbraw/zinc/49/67/31/417496731.db2.gz ZRXLBDQQMHQFRY-ZDUSSCGKSA-N 0 0 318.439 0.038 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)CC12COC2 ZINC000452220890 417460141 /nfs/dbraw/zinc/46/01/41/417460141.db2.gz ILXHMOIHNOIRJP-LBPRGKRZSA-N 0 0 320.345 0.742 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@H](C)n2cccn2)CC12COC2 ZINC000452232448 417460995 /nfs/dbraw/zinc/46/09/95/417460995.db2.gz WNVGTKBKPCCJPJ-NWDGAFQWSA-N 0 0 307.350 0.482 10 0 DCAERN CC[C@@H](COCC(F)(F)F)NC(=O)CN1CCOCC1=O ZINC000452334292 417465863 /nfs/dbraw/zinc/46/58/63/417465863.db2.gz HKOZHMWZCMZAAF-VIFPVBQESA-N 0 0 312.288 0.319 10 0 DCAERN C[C@@H](O)CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000439006242 287380422 /nfs/dbraw/zinc/38/04/22/287380422.db2.gz LMKKZNCFCWCHPO-CQSZACIVSA-N 0 0 312.435 0.905 10 0 DCAERN CC(C)n1ccc(NC(=O)C(=O)N2CCOCC3(CC3)C2)n1 ZINC000573271190 417468975 /nfs/dbraw/zinc/46/89/75/417468975.db2.gz WGMHTTIZJNKIFI-UHFFFAOYSA-N 0 0 306.366 1.042 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000633690838 417478826 /nfs/dbraw/zinc/47/88/26/417478826.db2.gz JSSOUMZCYOHAOG-GFCCVEGCSA-N 0 0 317.345 0.759 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O)C(C)C ZINC000530067074 417539021 /nfs/dbraw/zinc/53/90/21/417539021.db2.gz GAPWFMAZBVPNAU-QDVDLPMUSA-N 0 0 300.424 0.659 10 0 DCAERN CN(Cc1nnnn1C)S(=O)(=O)CCc1cccs1 ZINC000575923244 417562362 /nfs/dbraw/zinc/56/23/62/417562362.db2.gz OOLSCMBMPFNQSD-UHFFFAOYSA-N 0 0 301.397 0.276 10 0 DCAERN CO[C@H]1O[C@H](COC(C)=O)[C@H](F)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000575124373 417514986 /nfs/dbraw/zinc/51/49/86/417514986.db2.gz DMXZHMAFWXQZAQ-MLGHIDQZSA-N 0 0 322.285 0.122 10 0 DCAERN O=C(CCc1nc(-c2nc[nH]n2)no1)NCCOCC1CCC1 ZINC000575228001 417521666 /nfs/dbraw/zinc/52/16/66/417521666.db2.gz VLILLHHRVXXCKG-UHFFFAOYSA-N 0 0 320.353 0.720 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)N[C@H](C)[C@@H](C)OC)CC12COC2 ZINC000454967761 417587645 /nfs/dbraw/zinc/58/76/45/417587645.db2.gz KLVRFMZOAIHNTQ-IJLUTSLNSA-N 0 0 314.382 0.631 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccncc2F)CC12COC2 ZINC000455029682 417589919 /nfs/dbraw/zinc/58/99/19/417589919.db2.gz AFWFUFHRXIPYQN-JTQLQIEISA-N 0 0 323.324 0.686 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(C)n(C)n2)CC12COC2 ZINC000455011690 417590795 /nfs/dbraw/zinc/59/07/95/417590795.db2.gz QRMHOORZBUSDGJ-NSHDSACASA-N 0 0 322.365 0.772 10 0 DCAERN CCc1noc(NC(=O)NCCCc2nnc3ccccn32)n1 ZINC000455611074 417610729 /nfs/dbraw/zinc/61/07/29/417610729.db2.gz SOVVUIVVUFWXCU-UHFFFAOYSA-N 0 0 315.337 0.851 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N(C)C2CCOCC2)cn1C ZINC000531284028 417614659 /nfs/dbraw/zinc/61/46/59/417614659.db2.gz JISLHCYEGMBGMK-UHFFFAOYSA-N 0 0 315.395 0.184 10 0 DCAERN CCc1ncc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cn1 ZINC000644399070 417563804 /nfs/dbraw/zinc/56/38/04/417563804.db2.gz SZCCZRDDKJCIEB-NSHDSACASA-N 0 0 301.354 0.392 10 0 DCAERN CCOC1CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)C1 ZINC000454469410 417564329 /nfs/dbraw/zinc/56/43/29/417564329.db2.gz ZWQWMPFPIUDTNO-UHFFFAOYSA-N 0 0 313.379 0.847 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000530433367 417574598 /nfs/dbraw/zinc/57/45/98/417574598.db2.gz TXNYVQWCXPQWDB-AAEUAGOBSA-N 0 0 303.428 0.564 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440053718 287393047 /nfs/dbraw/zinc/39/30/47/287393047.db2.gz NOILFRFFRDRMGV-CYBMUJFWSA-N 0 0 317.345 0.249 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440037848 287392285 /nfs/dbraw/zinc/39/22/85/287392285.db2.gz QHXASLNVFQHSGK-GWCFXTLKSA-N 0 0 317.345 0.344 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000440267905 287396249 /nfs/dbraw/zinc/39/62/49/287396249.db2.gz MJYPCVLYYUHAGN-VIFPVBQESA-N 0 0 323.324 0.462 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H](C)N1CCO ZINC000456216639 417635713 /nfs/dbraw/zinc/63/57/13/417635713.db2.gz VVCNBKVQLZIZHH-TXEJJXNPSA-N 0 0 307.398 0.070 10 0 DCAERN CC(C)n1ccc(NC(=O)C(=O)N2CC3(C2)CCOCC3)n1 ZINC000578385917 417684386 /nfs/dbraw/zinc/68/43/86/417684386.db2.gz GAIMWWDBQWBUHF-UHFFFAOYSA-N 0 0 306.366 1.042 10 0 DCAERN CCCN(CCC)S(=O)(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000531911533 417648537 /nfs/dbraw/zinc/64/85/37/417648537.db2.gz KUMWYDLRBZZCJV-LBPRGKRZSA-N 0 0 305.444 0.906 10 0 DCAERN COc1ncc(NC(=O)c2cn3cccnc3n2)cc1C(N)=O ZINC000531898200 417649830 /nfs/dbraw/zinc/64/98/30/417649830.db2.gz MFNWZOAIEVFNDT-UHFFFAOYSA-N 0 0 312.289 0.484 10 0 DCAERN CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(O)cc2)[C@H](C)C1 ZINC000532184202 417667189 /nfs/dbraw/zinc/66/71/89/417667189.db2.gz SMQSTWKJSADNQV-LLVKDONJSA-N 0 0 319.361 0.201 10 0 DCAERN CN1C(=O)N(CC(=O)NC2(CCO)CC2)C(=O)C12CCCCC2 ZINC000577166985 417669965 /nfs/dbraw/zinc/66/99/65/417669965.db2.gz SHBVJEOFJSCIJB-UHFFFAOYSA-N 0 0 323.393 0.615 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCCc1ccccc1O ZINC000443191469 287414194 /nfs/dbraw/zinc/41/41/94/287414194.db2.gz GAVJTSSAEWKJGQ-UHFFFAOYSA-N 0 0 316.379 0.264 10 0 DCAERN O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000457379502 417706683 /nfs/dbraw/zinc/70/66/83/417706683.db2.gz DUUFOYYAJGDJMX-GFCCVEGCSA-N 0 0 309.757 0.792 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC12COC2 ZINC000457826473 417708887 /nfs/dbraw/zinc/70/88/87/417708887.db2.gz WMZYJRWBSXKUJC-RNJOBUHISA-N 0 0 321.373 0.640 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@@H]1COCCC1=O ZINC000628873563 417709003 /nfs/dbraw/zinc/70/90/03/417709003.db2.gz NDDJIUJPTYIUNY-OCCSQVGLSA-N 0 0 302.330 0.438 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(C)o1 ZINC000580686212 417722662 /nfs/dbraw/zinc/72/26/62/417722662.db2.gz NVTIUDDYLZNXEF-WDEREUQCSA-N 0 0 310.350 0.703 10 0 DCAERN CCOCCC1(C(=O)NC[C@@H](O)Cn2ccnn2)CCCC1 ZINC000458129207 417723198 /nfs/dbraw/zinc/72/31/98/417723198.db2.gz FASLHDGQFCUBGI-CYBMUJFWSA-N 0 0 310.398 0.742 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C1(Cc2ccc(F)cc2)CC1 ZINC000458140469 417725751 /nfs/dbraw/zinc/72/57/51/417725751.db2.gz NQTJJMCNZDEOAZ-CQSZACIVSA-N 0 0 318.352 0.917 10 0 DCAERN O=C(CCOc1ccc(F)cc1)NC[C@@H](O)Cn1ccnn1 ZINC000458154791 417725959 /nfs/dbraw/zinc/72/59/59/417725959.db2.gz ZOXUJLZPTWUIFL-GFCCVEGCSA-N 0 0 308.313 0.363 10 0 DCAERN O=C(NC[C@@H](O)Cn1ccnn1)C1(c2ccccc2)CCC1 ZINC000458143417 417726218 /nfs/dbraw/zinc/72/62/18/417726218.db2.gz PHQPUHUWPNTAKC-CQSZACIVSA-N 0 0 300.362 0.877 10 0 DCAERN CCOc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)nc(C)n1 ZINC000664273025 418109307 /nfs/dbraw/zinc/10/93/07/418109307.db2.gz PRTQEXSZMFQDIU-NXEZZACHSA-N 0 0 301.368 0.408 10 0 DCAERN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000654920032 418203418 /nfs/dbraw/zinc/20/34/18/418203418.db2.gz IEWLVWQOWANISQ-MBNYWOFBSA-N 0 0 301.408 0.717 10 0 DCAERN CCO[C@H]1C[C@@](O)(CNC(=O)NCC2(C)COC2)C1(C)C ZINC000190683363 545924963 /nfs/dbraw/zinc/92/49/63/545924963.db2.gz IYTZPJCIAUMCQM-XHDPSFHLSA-N 0 0 300.399 0.888 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CCC1CC1 ZINC000487384278 287535644 /nfs/dbraw/zinc/53/56/44/287535644.db2.gz ZJQZHKAFUYSSSW-ZJUUUORDSA-N 0 0 320.411 0.162 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000487124433 287532210 /nfs/dbraw/zinc/53/22/10/287532210.db2.gz RKEIJQLNEGILBN-NXEZZACHSA-N 0 0 324.381 0.719 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1F ZINC000487127340 287532564 /nfs/dbraw/zinc/53/25/64/287532564.db2.gz ADJRSTAAQAPPPB-WDEREUQCSA-N 0 0 324.352 0.941 10 0 DCAERN CCCn1cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)cn1 ZINC000488305178 287548920 /nfs/dbraw/zinc/54/89/20/287548920.db2.gz DUSPFLKDOLJWRD-GHMZBOCLSA-N 0 0 324.381 0.479 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@@H](C)OC ZINC000488289235 287548427 /nfs/dbraw/zinc/54/84/27/287548427.db2.gz FQPALCYHNHPFST-VWYCJHECSA-N 0 0 302.371 0.374 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCOC1 ZINC000179152882 261111964 /nfs/dbraw/zinc/11/19/64/261111964.db2.gz ZHPXGTPOXXCDJW-ZIAGYGMSSA-N 0 0 305.378 0.774 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000179320255 261113267 /nfs/dbraw/zinc/11/32/67/261113267.db2.gz DWWWMQQKEISSLU-ZETCQYMHSA-N 0 0 305.319 0.675 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC1(CO)CC1 ZINC000179728553 261113958 /nfs/dbraw/zinc/11/39/58/261113958.db2.gz MWJWRLOIEVAMKH-VIFPVBQESA-N 0 0 316.354 0.134 10 0 DCAERN CCCn1nccc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000179726399 261114143 /nfs/dbraw/zinc/11/41/43/261114143.db2.gz MYWMBNTZMADSPB-NSHDSACASA-N 0 0 309.370 0.350 10 0 DCAERN CS(=O)(=O)c1csc(C(=O)NCCN2CCCC2)c1 ZINC000179995913 261114180 /nfs/dbraw/zinc/11/41/80/261114180.db2.gz WZOORLVMPUZESL-UHFFFAOYSA-N 0 0 302.421 0.977 10 0 DCAERN CCOCCNC(=O)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185226514 261119342 /nfs/dbraw/zinc/11/93/42/261119342.db2.gz SHIJHMIXDSIMQR-FQEVSTJZSA-N 0 0 304.456 0.762 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)cc1 ZINC000186748107 261121917 /nfs/dbraw/zinc/12/19/17/261121917.db2.gz FNHMNGXWSHICSA-UHFFFAOYSA-N 0 0 301.302 0.942 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187266855 261123112 /nfs/dbraw/zinc/12/31/12/261123112.db2.gz LUFOZKAEPITEDL-GFCCVEGCSA-N 0 0 306.362 0.612 10 0 DCAERN NC(=O)CCn1ccc(NC(=O)c2cn3ccnc3s2)n1 ZINC000188521322 261128662 /nfs/dbraw/zinc/12/86/62/261128662.db2.gz UAJJOTPWPBYCHA-UHFFFAOYSA-N 0 0 304.335 0.720 10 0 DCAERN COC(=O)C1(CNC(=O)CNC(=O)c2ccccc2C)CC1 ZINC000188702637 261129258 /nfs/dbraw/zinc/12/92/58/261129258.db2.gz KYBVLTSDKMCAKP-UHFFFAOYSA-N 0 0 304.346 0.794 10 0 DCAERN COc1ccc(F)cc1CNCc1cn(C)c(=O)n(C)c1=O ZINC000189206051 261130552 /nfs/dbraw/zinc/13/05/52/261130552.db2.gz YDWVLQZGWSXBOI-UHFFFAOYSA-N 0 0 307.325 0.522 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000190145236 261134090 /nfs/dbraw/zinc/13/40/90/261134090.db2.gz JJUAUMVRUNEISE-FZMZJTMJSA-N 0 0 324.425 0.761 10 0 DCAERN Cc1ccc([C@@H](CNC(=O)N2CC(CO)C2)N2CCOCC2)o1 ZINC000190649969 261135311 /nfs/dbraw/zinc/13/53/11/261135311.db2.gz LMBQTODVFAUDQE-CQSZACIVSA-N 0 0 323.393 0.595 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000191340743 261137075 /nfs/dbraw/zinc/13/70/75/261137075.db2.gz IOKDPQUBOPJJLG-UHFFFAOYSA-N 0 0 304.350 0.038 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000191346400 261137661 /nfs/dbraw/zinc/13/76/61/261137661.db2.gz AEJFXBOGXGHPGZ-UHFFFAOYSA-N 0 0 315.251 0.389 10 0 DCAERN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000194199128 261144954 /nfs/dbraw/zinc/14/49/54/261144954.db2.gz BWPYRADEULTJFQ-BXKDBHETSA-N 0 0 308.382 0.941 10 0 DCAERN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000194283234 261146096 /nfs/dbraw/zinc/14/60/96/261146096.db2.gz BVZJESSSMLBATF-KCJUWKMLSA-N 0 0 319.390 0.798 10 0 DCAERN CSC1(CNC(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000194512957 261146912 /nfs/dbraw/zinc/14/69/12/261146912.db2.gz FESWLGXOJIMCNK-UHFFFAOYSA-N 0 0 307.379 0.142 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)[C@@H](C)n1nc(C)cc1C ZINC000194642717 261147009 /nfs/dbraw/zinc/14/70/09/261147009.db2.gz LRPIDIDEKNILMY-LLVKDONJSA-N 0 0 302.400 0.116 10 0 DCAERN CC(C)C(=O)NCCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000194912880 261149486 /nfs/dbraw/zinc/14/94/86/261149486.db2.gz SCEYICIXLWHSGG-UHFFFAOYSA-N 0 0 311.357 0.889 10 0 DCAERN CCCn1cnc2c1c(=O)n(C[C@H](O)COC(C)C)c(=O)n2C ZINC000194973939 261149511 /nfs/dbraw/zinc/14/95/11/261149511.db2.gz QPJJILLDHNTBCY-NSHDSACASA-N 0 0 324.381 0.093 10 0 DCAERN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000234607220 261154661 /nfs/dbraw/zinc/15/46/61/261154661.db2.gz IIHFENALDYENLC-QWHCGFSZSA-N 0 0 318.439 0.684 10 0 DCAERN COC[C@H](CO)NC(=O)CCc1nc2ccccc2oc1=O ZINC000357716288 261575727 /nfs/dbraw/zinc/57/57/27/261575727.db2.gz MIVHOXOHHBZCBM-JTQLQIEISA-N 0 0 306.318 0.244 10 0 DCAERN COCCN(CC(=O)Nc1nc(C)cs1)CC(=O)OC ZINC000357746162 261579870 /nfs/dbraw/zinc/57/98/70/261579870.db2.gz UHOLHZOLILOASF-UHFFFAOYSA-N 0 0 301.368 0.511 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2c(C)c(C)sc2=O)[C@@H](C)C1 ZINC000357924955 261602590 /nfs/dbraw/zinc/60/25/90/261602590.db2.gz PDXRBLVYVVDPFT-VIFPVBQESA-N 0 0 311.407 0.606 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1=CCCOC1 ZINC000357981691 261611223 /nfs/dbraw/zinc/61/12/23/261611223.db2.gz AKXIXOSGLCPCCA-UHFFFAOYSA-N 0 0 306.366 0.945 10 0 DCAERN CCc1nc(CN2CCN([C@@H](C(=O)OC)C3CC3)CC2)no1 ZINC000359579035 261755284 /nfs/dbraw/zinc/75/52/84/261755284.db2.gz CQRFFEYTXZTFIC-CQSZACIVSA-N 0 0 308.382 0.701 10 0 DCAERN CN(Cc1nnnn1C)c1ccc2nnc(C(C)(C)C)n2n1 ZINC000359763954 261766702 /nfs/dbraw/zinc/76/67/02/261766702.db2.gz DCDKHUPMZIWQHD-UHFFFAOYSA-N 0 0 301.358 0.582 10 0 DCAERN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000359838312 261773977 /nfs/dbraw/zinc/77/39/77/261773977.db2.gz VQXCUJOXFFJMHP-WQVCFCJDSA-N 0 0 308.378 0.267 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000360269257 261817607 /nfs/dbraw/zinc/81/76/07/261817607.db2.gz UCQLJULSTXREDN-SECBINFHSA-N 0 0 309.338 0.541 10 0 DCAERN CO[C@@](C)(CNC(=O)[C@@](C)(O)Cn1ccccc1=O)C1CC1 ZINC000360765001 261872990 /nfs/dbraw/zinc/87/29/90/261872990.db2.gz RDSYTGFFPKNHAX-HOTGVXAUSA-N 0 0 308.378 0.531 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000360868153 261884875 /nfs/dbraw/zinc/88/48/75/261884875.db2.gz XGHFGAHTJLEENS-NEPJUHHUSA-N 0 0 300.399 0.849 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCO[C@@H](C)C2)C1 ZINC000361095435 261896085 /nfs/dbraw/zinc/89/60/85/261896085.db2.gz AAXPNJIDEWSUBW-XDQVBPFNSA-N 0 0 312.410 0.992 10 0 DCAERN C[C@@](O)(CC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000362176544 262006220 /nfs/dbraw/zinc/00/62/20/262006220.db2.gz GPUGINUNPWCAKK-SUMWQHHRSA-N 0 0 324.421 0.635 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)NCc2ncnn2CC)s1 ZINC000362197567 262008260 /nfs/dbraw/zinc/00/82/60/262008260.db2.gz HYAFZCYZEJVALE-UHFFFAOYSA-N 0 0 322.394 0.880 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000362232016 262013173 /nfs/dbraw/zinc/01/31/73/262013173.db2.gz AQHCYQZYHSOHGG-MRVPVSSYSA-N 0 0 304.393 0.647 10 0 DCAERN C[C@@H](C(=O)NC(C)(C)C)N(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000362619298 262053712 /nfs/dbraw/zinc/05/37/12/262053712.db2.gz ADJRXVZQHBOWQQ-QWRGUYRKSA-N 0 0 305.444 0.951 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1cc(OCC)ncn1 ZINC000362665701 262058203 /nfs/dbraw/zinc/05/82/03/262058203.db2.gz PCWQRERSDGWJHS-NXEZZACHSA-N 0 0 310.354 0.744 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@@H]1O ZINC000362731284 262065711 /nfs/dbraw/zinc/06/57/11/262065711.db2.gz OCHMYHBANLWZPQ-WXHSDQCUSA-N 0 0 312.435 0.917 10 0 DCAERN COc1ccccc1CN(C)C(=O)[C@H]1COCCN1C(C)=O ZINC000363148595 262101112 /nfs/dbraw/zinc/10/11/12/262101112.db2.gz NSEMCPQWOBXBNR-CQSZACIVSA-N 0 0 306.362 0.901 10 0 DCAERN NC(=O)CCCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000363849076 262134389 /nfs/dbraw/zinc/13/43/89/262134389.db2.gz URTNPARBOHVWMS-UHFFFAOYSA-N 0 0 305.334 0.332 10 0 DCAERN O=S(=O)(N1CCN2CCOC[C@H]2C1)N1CCCCCC1 ZINC000363979524 262138409 /nfs/dbraw/zinc/13/84/09/262138409.db2.gz XOFPJVFMPHDNSD-CYBMUJFWSA-N 0 0 303.428 0.124 10 0 DCAERN CC(=O)c1ccc(NC(=O)CN2CCO[C@H]([C@@H](C)O)C2)cc1 ZINC000412090589 262182123 /nfs/dbraw/zinc/18/21/23/262182123.db2.gz PRAYJVLPTVOBIW-DOMZBBRYSA-N 0 0 306.362 0.909 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)NC[C@@H](CO)C2CC2)CCCC1 ZINC000358643917 271061564 /nfs/dbraw/zinc/06/15/64/271061564.db2.gz FZVRIIXNVRITNS-ZDUSSCGKSA-N 0 0 311.426 0.953 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000358795183 271073330 /nfs/dbraw/zinc/07/33/30/271073330.db2.gz FTQAONZWYUAUPL-MGPQQGTHSA-N 0 0 309.410 0.761 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358876115 271077894 /nfs/dbraw/zinc/07/78/94/271077894.db2.gz APODAHIYIYBZKT-LLVKDONJSA-N 0 0 304.412 0.129 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCc2nc(N(C)C)no2)C1 ZINC000358991033 271086623 /nfs/dbraw/zinc/08/66/23/271086623.db2.gz CCABIQSTZMRDBE-JTQLQIEISA-N 0 0 324.385 0.336 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2CCO[C@H](C)[C@@H]2C)n1 ZINC000359217012 271104011 /nfs/dbraw/zinc/10/40/11/271104011.db2.gz AJXVRYKKDDRNPC-NWDGAFQWSA-N 0 0 321.377 0.385 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[C@H](OC)C2)n1 ZINC000359223471 271106187 /nfs/dbraw/zinc/10/61/87/271106187.db2.gz DJSGLBKAWMAXJE-OLZOCXBDSA-N 0 0 321.377 0.433 10 0 DCAERN CCCCn1cc(CNC(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1 ZINC000359238277 271110599 /nfs/dbraw/zinc/11/05/99/271110599.db2.gz IWGAHMILBAOMMR-ZDUSSCGKSA-N 0 0 322.413 0.944 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(CCCO)c1 ZINC000359603921 271130191 /nfs/dbraw/zinc/13/01/91/271130191.db2.gz CPHNUOKHOYPMRM-JTQLQIEISA-N 0 0 300.380 0.488 10 0 DCAERN CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(CCCO)c1 ZINC000359608472 271130863 /nfs/dbraw/zinc/13/08/63/271130863.db2.gz VRGPEDCNENOBLS-UHFFFAOYSA-N 0 0 314.407 0.878 10 0 DCAERN COC(=O)[C@H](C)CC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000361007885 271169654 /nfs/dbraw/zinc/16/96/54/271169654.db2.gz IMFNBYMNJRZVEV-GFCCVEGCSA-N 0 0 321.377 0.734 10 0 DCAERN COC1(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CCOCC1 ZINC000375129130 271217364 /nfs/dbraw/zinc/21/73/64/271217364.db2.gz FYSUUODZGZRZQJ-OAHLLOKOSA-N 0 0 313.394 0.979 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCCOCC1CC1 ZINC000436388716 271592453 /nfs/dbraw/zinc/59/24/53/271592453.db2.gz MUZYVRQKWKQZSG-INIZCTEOSA-N 0 0 308.378 0.532 10 0 DCAERN CCC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445946404 271751453 /nfs/dbraw/zinc/75/14/53/271751453.db2.gz JNTAZVDOULLAAX-NSHDSACASA-N 0 0 311.363 0.820 10 0 DCAERN COc1cccc(CNC(=O)[C@](C)(O)Cn2ccccc2=O)c1 ZINC000447903690 271804900 /nfs/dbraw/zinc/80/49/00/271804900.db2.gz NYYPDILJZPYTGK-QGZVFWFLSA-N 0 0 316.357 0.924 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCSC[C@H]1CCO ZINC000451348229 271897122 /nfs/dbraw/zinc/89/71/22/271897122.db2.gz VLLJTDXKFJPEHD-VXGBXAGGSA-N 0 0 311.469 0.789 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2cnn(CC)c2)CC12COC2 ZINC000452266374 271912969 /nfs/dbraw/zinc/91/29/69/271912969.db2.gz SGZHGJWZMCMBGD-LBPRGKRZSA-N 0 0 307.350 0.555 10 0 DCAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458121556 271942926 /nfs/dbraw/zinc/94/29/26/271942926.db2.gz FZWMPXUGPQNMBB-STQMWFEESA-N 0 0 304.350 0.531 10 0 DCAERN CC(C)O[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458140427 271944195 /nfs/dbraw/zinc/94/41/95/271944195.db2.gz NKFPEEHHJRGCCR-LSDHHAIUSA-N 0 0 318.377 0.922 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccnc(OC(F)F)c2)CC(=O)N1 ZINC000458745008 271972227 /nfs/dbraw/zinc/97/22/27/271972227.db2.gz ADKCPWSWCKYBIA-QMMMGPOBSA-N 0 0 314.292 0.713 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCCCC2)C1 ZINC000459792451 272008672 /nfs/dbraw/zinc/00/86/72/272008672.db2.gz IDVYXLZYROQDJZ-CYBMUJFWSA-N 0 0 309.410 0.906 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(C)CC2CC2)CCN1CC(C)(C)O ZINC000460010132 272024340 /nfs/dbraw/zinc/02/43/40/272024340.db2.gz MJSMDZDCHKKTEI-GFCCVEGCSA-N 0 0 311.426 0.158 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000466489498 272026451 /nfs/dbraw/zinc/02/64/51/272026451.db2.gz SFNXTDBOAZKTRO-DCAQKATOSA-N 0 0 307.416 0.133 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000471693852 272029478 /nfs/dbraw/zinc/02/94/78/272029478.db2.gz QWUUUCHJGRDIJE-MNOVXSKESA-N 0 0 317.345 0.786 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](C)COC ZINC000487165304 272039195 /nfs/dbraw/zinc/03/91/95/272039195.db2.gz YSSFTVWLCBKLEZ-MXWKQRLJSA-N 0 0 302.371 0.232 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)NCCN2CCOC[C@H]2C)[nH]n1 ZINC000487548337 272041624 /nfs/dbraw/zinc/04/16/24/272041624.db2.gz KFLPWGKKRPHSOO-DGCLKSJQSA-N 0 0 309.414 0.669 10 0 DCAERN CC(=O)N[C@@H](C(=O)NC[C@H](CO)c1cccnc1)C1CCCC1 ZINC000490393707 272074319 /nfs/dbraw/zinc/07/43/19/272074319.db2.gz KLKQZSOSDQSRIY-HZPDHXFCSA-N 0 0 319.405 0.969 10 0 DCAERN O=C(/C=C\c1cncc(O)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000492474541 272132124 /nfs/dbraw/zinc/13/21/24/272132124.db2.gz OPXUUKQDPVPDPW-GWQWAINWSA-N 0 0 314.345 0.925 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000494418297 272221344 /nfs/dbraw/zinc/22/13/44/272221344.db2.gz ZDIMDGBUVALOCQ-CYBMUJFWSA-N 0 0 313.442 0.716 10 0 DCAERN COc1cccc(CO[C@H](C)C(=O)N2CC3(C2)CNC(=O)O3)c1 ZINC000496159692 272297203 /nfs/dbraw/zinc/29/72/03/272297203.db2.gz JHHAPPSSGDGYEO-LLVKDONJSA-N 0 0 320.345 0.921 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N2CCn3nncc3C2)c1 ZINC000516583486 272438875 /nfs/dbraw/zinc/43/88/75/272438875.db2.gz CINCSGNFJQMYNW-UHFFFAOYSA-N 0 0 320.374 0.904 10 0 DCAERN Cc1nc2ccc(S(=O)(=O)NC3(C(N)=O)CC3)cc2s1 ZINC000517809898 272474681 /nfs/dbraw/zinc/47/46/81/272474681.db2.gz BQNOAHVKNDAXSA-UHFFFAOYSA-N 0 0 311.388 0.901 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)NC[C@H](O)[C@@H]3CCCO3)ccc21 ZINC000529763325 272707795 /nfs/dbraw/zinc/70/77/95/272707795.db2.gz IJFGFWUCJHZDPU-HOTGVXAUSA-N 0 0 318.373 0.865 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000531842648 272771394 /nfs/dbraw/zinc/77/13/94/272771394.db2.gz VVXSBBLZOOCJCJ-IHRRRGAJSA-N 0 0 303.399 0.815 10 0 DCAERN CCCN(CCC)S(=O)(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000531856201 272772079 /nfs/dbraw/zinc/77/20/79/272772079.db2.gz DBIIWXHTCNDJSL-GFCCVEGCSA-N 0 0 320.459 0.747 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532705675 272792620 /nfs/dbraw/zinc/79/26/20/272792620.db2.gz IVJFYVKANLBKAD-ILXRZTDVSA-N 0 0 315.410 0.959 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000520686577 287687235 /nfs/dbraw/zinc/68/72/35/287687235.db2.gz JRNWAOSQQPZPHV-MRXNPFEDSA-N 0 0 318.373 0.771 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000408114391 274333185 /nfs/dbraw/zinc/33/31/85/274333185.db2.gz XSAUUCAGDVKICA-SNVBAGLBSA-N 0 0 301.346 0.689 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 ZINC000530414330 287747968 /nfs/dbraw/zinc/74/79/68/287747968.db2.gz XYBZGTABYBXONY-TZMCWYRMSA-N 0 0 316.361 0.868 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000534256693 287807155 /nfs/dbraw/zinc/80/71/55/287807155.db2.gz GZLMCWBPGBUNBA-IUCAKERBSA-N 0 0 323.319 0.075 10 0 DCAERN COC(=O)c1csc(NC(=O)C(=O)NCc2ccn(C)n2)c1 ZINC000534286690 287809505 /nfs/dbraw/zinc/80/95/05/287809505.db2.gz ZGYKLSRMJKYPEQ-UHFFFAOYSA-N 0 0 322.346 0.523 10 0 DCAERN Cn1ccc(CNC(=O)C[C@@H]2Oc3ccccc3NC2=O)n1 ZINC000535028577 287825213 /nfs/dbraw/zinc/82/52/13/287825213.db2.gz AVBPWHYVQJAISZ-ZDUSSCGKSA-N 0 0 300.318 0.826 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccn(C)n2)C1=O ZINC000536564412 287857563 /nfs/dbraw/zinc/85/75/63/287857563.db2.gz TWKOMAMKPZJVJJ-NSHDSACASA-N 0 0 314.345 0.850 10 0 DCAERN CCc1cccc(OCC(=O)NC[C@@H](C)S(N)(=O)=O)c1 ZINC000536637478 287859727 /nfs/dbraw/zinc/85/97/27/287859727.db2.gz YUQJFGUIYWGUGO-SNVBAGLBSA-N 0 0 300.380 0.421 10 0 DCAERN CC(C)[C@H](C(=O)N1CCNC(=O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000250244782 276011753 /nfs/dbraw/zinc/01/17/53/276011753.db2.gz VTQNOZZTUBFNCD-VNHYZAJKSA-N 0 0 311.426 0.469 10 0 DCAERN CC1(C)CN(C(=O)[C@H]2CCCc3n[nH]cc32)CCS1(=O)=O ZINC000134500392 276126323 /nfs/dbraw/zinc/12/63/23/276126323.db2.gz STAMNBRAWHDGKW-JTQLQIEISA-N 0 0 311.407 0.865 10 0 DCAERN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cn2cccnc2n1 ZINC000538934377 287887431 /nfs/dbraw/zinc/88/74/31/287887431.db2.gz QWFCVJKSCIHQHX-IAQYHMDHSA-N 0 0 302.334 0.797 10 0 DCAERN COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCCC1CC1 ZINC000540372249 287902252 /nfs/dbraw/zinc/90/22/52/287902252.db2.gz ICNWXFORHSTPAS-UHFFFAOYSA-N 0 0 321.381 0.796 10 0 DCAERN O=C(NC[C@@H]1CCCCS1(=O)=O)c1cccc2ncnn21 ZINC000541571499 287922077 /nfs/dbraw/zinc/92/20/77/287922077.db2.gz VADNTHKTGOQQMY-JTQLQIEISA-N 0 0 308.363 0.426 10 0 DCAERN Cn1ccc(CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1 ZINC000541592020 287922225 /nfs/dbraw/zinc/92/22/25/287922225.db2.gz DCGFJJJLTFPHMU-CYBMUJFWSA-N 0 0 302.334 0.913 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000408292316 276955084 /nfs/dbraw/zinc/95/50/84/276955084.db2.gz RXSVMGSCAWXOMX-ZDUSSCGKSA-N 0 0 322.386 0.500 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1 ZINC000247243893 276980596 /nfs/dbraw/zinc/98/05/96/276980596.db2.gz YFVCMFRXGYYCDH-KBMXLJTQSA-N 0 0 323.437 0.424 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000371690871 277015926 /nfs/dbraw/zinc/01/59/26/277015926.db2.gz ZRTHEDBRPNTEAX-OLZOCXBDSA-N 0 0 319.386 0.439 10 0 DCAERN CN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000408340783 277076854 /nfs/dbraw/zinc/07/68/54/277076854.db2.gz FXQDNXMIRSMFCH-RYUDHWBXSA-N 0 0 305.382 0.126 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1=O ZINC000284680288 277163466 /nfs/dbraw/zinc/16/34/66/277163466.db2.gz WPPRBBCAKUVUFQ-VHSXEESVSA-N 0 0 305.382 0.425 10 0 DCAERN CC(C)CN1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000172979299 277404432 /nfs/dbraw/zinc/40/44/32/277404432.db2.gz WGHHFCDHYALZDE-KGLIPLIRSA-N 0 0 319.471 0.614 10 0 DCAERN CC(C)CS(=O)(=O)CCC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116789420 277428254 /nfs/dbraw/zinc/42/82/54/277428254.db2.gz IHBALMQZUYHAQA-CYBMUJFWSA-N 0 0 320.455 0.236 10 0 DCAERN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000079036766 277436045 /nfs/dbraw/zinc/43/60/45/277436045.db2.gz PRALJJLLOCGVQJ-RYUDHWBXSA-N 0 0 305.444 0.449 10 0 DCAERN O=C(NCCN1CCNC(=O)C1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000543760393 287966842 /nfs/dbraw/zinc/96/68/42/287966842.db2.gz DCFWNDZMZKBBHF-AAEUAGOBSA-N 0 0 323.343 0.616 10 0 DCAERN C=CC(=O)NCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1C ZINC000368119453 277816727 /nfs/dbraw/zinc/81/67/27/277816727.db2.gz LCSMDVDCQWMSMB-MRXNPFEDSA-N 0 0 315.373 0.687 10 0 DCAERN C[C@@H]1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)[C@@H](C)[C@@H](C)O1 ZINC000408443686 277920527 /nfs/dbraw/zinc/92/05/27/277920527.db2.gz OQBGQKRBKSMDKB-HRDYMLBCSA-N 0 0 307.354 0.375 10 0 DCAERN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cn2cccnc2n1 ZINC000545962561 288007800 /nfs/dbraw/zinc/00/78/00/288007800.db2.gz VFINEBORAOBGFP-OAHLLOKOSA-N 0 0 320.349 0.552 10 0 DCAERN C[C@H](C(=O)N1CCN(Cc2ccon2)CC1)N1CCSCC1 ZINC000133537202 278141149 /nfs/dbraw/zinc/14/11/49/278141149.db2.gz WGBIZQJZVPZSQS-CYBMUJFWSA-N 0 0 324.450 0.756 10 0 DCAERN C[C@@H](C(=O)N(C)C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105911757 278183070 /nfs/dbraw/zinc/18/30/70/278183070.db2.gz KJSFVWFULJZJLF-HOCLYGCPSA-N 0 0 305.422 0.814 10 0 DCAERN CN(Cc1cn(C)nc1C(F)(F)F)S(=O)(=O)NC1CC1 ZINC000547479317 288050908 /nfs/dbraw/zinc/05/09/08/288050908.db2.gz HHLYYFUSOKICOH-UHFFFAOYSA-N 0 0 312.317 0.868 10 0 DCAERN COCCO[C@H]1COCC[C@@H]1NC(=O)c1cccc2ncnn21 ZINC000547603062 288061546 /nfs/dbraw/zinc/06/15/46/288061546.db2.gz LUUDESFYLVURHK-AAEUAGOBSA-N 0 0 320.349 0.280 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000547737870 288074262 /nfs/dbraw/zinc/07/42/62/288074262.db2.gz REJBEYSRWRBXJQ-MLGOLLRUSA-N 0 0 316.361 0.516 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)c1cnn3c1CCCC3)CC2 ZINC000126592606 279143581 /nfs/dbraw/zinc/14/35/81/279143581.db2.gz HSQBKXCDPUUBCU-LLVKDONJSA-N 0 0 300.366 0.864 10 0 DCAERN CCc1nc(C)c(NC(=O)NCCN2C(=O)CNC2=O)s1 ZINC000548012148 288101841 /nfs/dbraw/zinc/10/18/41/288101841.db2.gz PZBSMJDPWWFEGY-UHFFFAOYSA-N 0 0 311.367 0.687 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cnc2n1CCC2 ZINC000548122481 288113884 /nfs/dbraw/zinc/11/38/84/288113884.db2.gz SIRYUSQLHLUXLC-ZJUUUORDSA-N 0 0 312.395 0.152 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCC(Cn2cncn2)CC1 ZINC000548280442 288128267 /nfs/dbraw/zinc/12/82/67/288128267.db2.gz SSHZXVPLLZHURG-UHFFFAOYSA-N 0 0 318.385 0.382 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333214631 279941460 /nfs/dbraw/zinc/94/14/60/279941460.db2.gz VGABJBSXXUEFLD-YVECIDJPSA-N 0 0 300.424 0.961 10 0 DCAERN COC(=O)c1ccc(N[C@H]2CCCN(CCO)C2=O)nc1C ZINC000549002476 288189615 /nfs/dbraw/zinc/18/96/15/288189615.db2.gz MGOFBDXMRZCHHG-LBPRGKRZSA-N 0 0 307.350 0.572 10 0 DCAERN C[C@@H](CNC(=O)N[C@H]1CCCc2nn(C)cc21)S(C)(=O)=O ZINC000549054779 288191187 /nfs/dbraw/zinc/19/11/87/288191187.db2.gz SIFDXHMNIBWALN-ONGXEEELSA-N 0 0 314.411 0.530 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000365366176 280090686 /nfs/dbraw/zinc/09/06/86/280090686.db2.gz RKUFKBRXXAOZHP-AGIUHOORSA-N 0 0 303.424 0.941 10 0 DCAERN O=C(c1ccc2c(c1)C(=O)NC2=O)N1CCC(CCO)CC1 ZINC000550749652 288218857 /nfs/dbraw/zinc/21/88/57/288218857.db2.gz FAQUEVBAEXXDQQ-UHFFFAOYSA-N 0 0 302.330 0.805 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000265596655 280356682 /nfs/dbraw/zinc/35/66/82/280356682.db2.gz BODBGJGXRYTGGO-VXNVDRBHSA-N 0 0 302.334 0.079 10 0 DCAERN O=c1[nH]c2ccccc2c(=O)n1Cc1cccnc1-n1cncn1 ZINC000179195572 280387104 /nfs/dbraw/zinc/38/71/04/280387104.db2.gz LOZTXTHXMZULEC-UHFFFAOYSA-N 0 0 320.312 0.714 10 0 DCAERN CC1(C)C[S@](=O)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000551985874 288255101 /nfs/dbraw/zinc/25/51/01/288255101.db2.gz ORFHMHVGPFXSRR-KQHSUYLTSA-N 0 0 305.440 0.386 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)C1 ZINC000551985245 288255137 /nfs/dbraw/zinc/25/51/37/288255137.db2.gz DAZYNXOGQCYREZ-JHJVBQTASA-N 0 0 323.397 0.944 10 0 DCAERN CC[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@]2(CCOC2)O1 ZINC000408347414 288257718 /nfs/dbraw/zinc/25/77/18/288257718.db2.gz YSDYRLWGQFJCAH-WCQYABFASA-N 0 0 305.396 0.218 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@H]3CCc4ncnn4C3)nn2)cc1 ZINC000112647110 280743602 /nfs/dbraw/zinc/74/36/02/280743602.db2.gz XMGUIGCGSHPBDX-LBPRGKRZSA-N 0 0 323.360 0.912 10 0 DCAERN Cc1cc(CCNC(=O)NCC(C)(C)N2CCOCC2)on1 ZINC000553357886 288296358 /nfs/dbraw/zinc/29/63/58/288296358.db2.gz XQAIDSDOZCJZBZ-UHFFFAOYSA-N 0 0 310.398 0.936 10 0 DCAERN CC[C@H]1CN(CCCS(=O)(=O)C(C)C)CCN1C[C@@H](C)O ZINC000120020670 281167551 /nfs/dbraw/zinc/16/75/51/281167551.db2.gz PIJMZGYHQGZNIC-CABCVRRESA-N 0 0 320.499 0.977 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CCCOC)CCN1C[C@@H](C)O ZINC000175143946 281172915 /nfs/dbraw/zinc/17/29/15/281172915.db2.gz UDXLKBJNEZHDNV-OLZOCXBDSA-N 0 0 308.444 0.130 10 0 DCAERN Cc1cc(CCNC(=O)NC[C@H]2CCCCS2(=O)=O)on1 ZINC000554092919 288313273 /nfs/dbraw/zinc/31/32/73/288313273.db2.gz NFHKGHRXBRNCHT-GFCCVEGCSA-N 0 0 315.395 0.792 10 0 DCAERN Cc1cc(CCNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)on1 ZINC000553926423 288310694 /nfs/dbraw/zinc/31/06/94/288310694.db2.gz PXHWNWVZXPKZLI-QWHCGFSZSA-N 0 0 310.398 0.934 10 0 DCAERN C[C@H]1CC(CCNC(=O)N(C)Cc2nnnn2C)C[C@H](C)O1 ZINC000554950983 288341936 /nfs/dbraw/zinc/34/19/36/288341936.db2.gz WZKFRBVPYKTTJU-QWRGUYRKSA-N 0 0 310.402 0.945 10 0 DCAERN O=C(CN1CCOC[C@]12CCOC2)Nc1ccc2c(c1)OCO2 ZINC000555933698 288366148 /nfs/dbraw/zinc/36/61/48/288366148.db2.gz ZHHBSPHXQYRELA-MRXNPFEDSA-N 0 0 320.345 0.845 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCCc2nn(C)cc21)c1ncnn1C ZINC000558701827 288457227 /nfs/dbraw/zinc/45/72/27/288457227.db2.gz RUKSMUZZBXRSPU-ONGXEEELSA-N 0 0 303.370 0.986 10 0 DCAERN COC[C@H]1NC(=O)N(CC[C@H]2COc3ccccc3O2)C1=O ZINC000562388741 288571167 /nfs/dbraw/zinc/57/11/67/288571167.db2.gz IOBULOQMFXDCNE-WDEREUQCSA-N 0 0 306.318 0.783 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)NC[C@@H](C)S(C)(=O)=O)no1 ZINC000562522759 288581962 /nfs/dbraw/zinc/58/19/62/288581962.db2.gz OCXSGCDGCURVRO-MRVPVSSYSA-N 0 0 318.399 0.599 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@]3(CCSC3)C2)C1 ZINC000563815478 288706435 /nfs/dbraw/zinc/70/64/35/288706435.db2.gz XZFPOQHHLZHRBQ-HIFRSBDPSA-N 0 0 312.435 0.979 10 0 DCAERN CCn1cncc1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000408338810 288749622 /nfs/dbraw/zinc/74/96/22/288749622.db2.gz AJQJJSPKSAXXCV-NXEZZACHSA-N 0 0 300.384 0.178 10 0 DCAERN C[C@H]1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@@H]1CO ZINC000565401140 288849290 /nfs/dbraw/zinc/84/92/90/288849290.db2.gz JIFOZPIXBHUMDA-CMPLNLGQSA-N 0 0 302.334 0.502 10 0 DCAERN O=C(CNC(=O)N1CCC2(CCO2)CC1)NCC(F)(F)F ZINC000565644436 288868212 /nfs/dbraw/zinc/86/82/12/288868212.db2.gz OJBJIUMIFPSUDX-UHFFFAOYSA-N 0 0 309.288 0.629 10 0 DCAERN CN(C(=O)[C@H]1CSCN1C(=O)Cc1cncnc1)C1CC1 ZINC000281068471 288912784 /nfs/dbraw/zinc/91/27/84/288912784.db2.gz ZOGMTRYTAUEATG-GFCCVEGCSA-N 0 0 306.391 0.541 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000408267416 289003258 /nfs/dbraw/zinc/00/32/58/289003258.db2.gz APIXZQXQWXGUNH-AGIUHOORSA-N 0 0 309.410 0.808 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333240088 289008637 /nfs/dbraw/zinc/00/86/37/289008637.db2.gz ZSNKJTZQSWEQPR-NOOOWODRSA-N 0 0 318.464 0.968 10 0 DCAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134379266 289022640 /nfs/dbraw/zinc/02/26/40/289022640.db2.gz VJDWQCSHPQIUGN-OUAUKWLOSA-N 0 0 311.407 0.864 10 0 DCAERN CN(C)C[C@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCO1 ZINC000116791388 289214835 /nfs/dbraw/zinc/21/48/35/289214835.db2.gz QJQPGIHNYHPSTQ-LBPRGKRZSA-N 0 0 318.439 0.133 10 0 DCAERN CN(CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)S(C)(=O)=O ZINC000246981715 289467174 /nfs/dbraw/zinc/46/71/74/289467174.db2.gz IWXNRRKCTNYWOZ-AAEUAGOBSA-N 0 0 304.412 0.031 10 0 DCAERN CN1C(=O)CC[C@H](C(=O)NCCCC(N)=O)[C@@H]1c1ccccc1 ZINC000171990956 289803294 /nfs/dbraw/zinc/80/32/94/289803294.db2.gz SUDMTTCFYPBALE-BBRMVZONSA-N 0 0 317.389 0.978 10 0 DCAERN CN1CCCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1=O ZINC000189758036 289933473 /nfs/dbraw/zinc/93/34/73/289933473.db2.gz HVQCYXMOBWSHMD-KRWDZBQOSA-N 0 0 316.357 0.849 10 0 DCAERN C[C@H]1C(=O)NCCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886645 290306410 /nfs/dbraw/zinc/30/64/10/290306410.db2.gz AEUHHKLLAQAXEW-WDEREUQCSA-N 0 0 321.343 0.998 10 0 DCAERN CNC(=O)CC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000187527590 290363089 /nfs/dbraw/zinc/36/30/89/290363089.db2.gz AIFOGWJOWJKNLQ-AWEZNQCLSA-N 0 0 307.325 0.270 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000407991643 290422248 /nfs/dbraw/zinc/42/22/48/290422248.db2.gz PNQHRMWTLVOCGU-CABZTGNLSA-N 0 0 308.300 0.771 10 0 DCAERN COC[C@H](C)NC(=O)NC(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000246428666 293025682 /nfs/dbraw/zinc/02/56/82/293025682.db2.gz UZYWYCMBGJCNKF-AAEUAGOBSA-N 0 0 323.397 0.797 10 0 DCAERN Cc1nc(C)c(C(=O)N2CC[C@H](N3CCOCC3)C2)nc1C ZINC000185142292 293217307 /nfs/dbraw/zinc/21/73/07/293217307.db2.gz YFGUITCZIZKELT-AWEZNQCLSA-N 0 0 304.394 0.949 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1 ZINC000370497232 294642007 /nfs/dbraw/zinc/64/20/07/294642007.db2.gz ARZMEZGYQYIOLT-GRYCIOLGSA-N 0 0 304.412 0.294 10 0 DCAERN COc1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)ccc1F ZINC000195479618 295017840 /nfs/dbraw/zinc/01/78/40/295017840.db2.gz RUKOYNTZRJCIGC-QPUJVOFHSA-N 0 0 316.354 0.637 10 0 DCAERN NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCCOC2)=NN1c1ccccc1 ZINC000171686515 295100596 /nfs/dbraw/zinc/10/05/96/295100596.db2.gz LZNMVNJBAUXIQA-RISCZKNCSA-N 0 0 316.361 0.402 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000286929854 295125103 /nfs/dbraw/zinc/12/51/03/295125103.db2.gz QKJRAKIDKDIREW-PELKAZGASA-N 0 0 303.293 0.978 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167091 297353030 /nfs/dbraw/zinc/35/30/30/297353030.db2.gz BVXUAJNFAZJWST-XQQFMLRXSA-N 0 0 317.455 0.244 10 0 DCAERN C[C@H](C(=O)N1CCNC[C@@H]1c1cccnc1)N1CCOCC1 ZINC000261678106 298055503 /nfs/dbraw/zinc/05/55/03/298055503.db2.gz BRNJWSQXNPAMJX-UKRRQHHQSA-N 0 0 304.394 0.275 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)[C@@H](C)CO1 ZINC000408088513 300279046 /nfs/dbraw/zinc/27/90/46/300279046.db2.gz JJENJQSIPZYURT-QWRGUYRKSA-N 0 0 319.427 0.070 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCCCCC2)CCN1CCO ZINC000188727748 300281346 /nfs/dbraw/zinc/28/13/46/300281346.db2.gz AZWSPHYSEHCTKC-ZDUSSCGKSA-N 0 0 305.444 0.106 10 0 DCAERN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CS(=O)(=O)C(C)(C)C ZINC000132895337 300313376 /nfs/dbraw/zinc/31/33/76/300313376.db2.gz XTZFXGGIZUOLAC-NWDGAFQWSA-N 0 0 302.440 0.895 10 0 DCAERN C[C@H]1O[C@@H](n2cc(Cl)c(N)nc2=O)[C@H]2OC(C)(C)O[C@@H]12 ZINC000022055883 300644050 /nfs/dbraw/zinc/64/40/50/300644050.db2.gz IXWKHHKVSDMPMQ-RKBOWSCOSA-N 0 0 301.730 0.916 10 0 in-vitro DCAERN Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CCO[C@@H]3C)CC(=O)N2C)cnn1C ZINC000332918934 301001169 /nfs/dbraw/zinc/00/11/69/301001169.db2.gz ADYUWCVKJAJVFM-ZSEWYUTFSA-N 0 0 320.393 0.542 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000284558257 301392136 /nfs/dbraw/zinc/39/21/36/301392136.db2.gz FLVOSOPQMDCMIC-STQMWFEESA-N 0 0 314.407 0.990 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261922296 302483640 /nfs/dbraw/zinc/48/36/40/302483640.db2.gz ZQXZEKSKYYVPLF-ZDUSSCGKSA-N 0 0 321.406 0.757 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H](C)CS(C)(=O)=O ZINC000177223807 302716722 /nfs/dbraw/zinc/71/67/22/302716722.db2.gz KTPHJFMYCYGKCZ-WCQYABFASA-N 0 0 313.423 0.863 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000331033942 303232503 /nfs/dbraw/zinc/23/25/03/303232503.db2.gz KGPDHAGHKKFSQS-NSHDSACASA-N 0 0 318.255 0.889 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(c2ccncc2Br)C1 ZINC000284719216 303321834 /nfs/dbraw/zinc/32/18/34/303321834.db2.gz UUHMFLWDTGRUAC-LLVKDONJSA-N 0 0 300.156 0.661 10 0 DCAERN O=C(Cn1cccnc1=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000329117868 303661915 /nfs/dbraw/zinc/66/19/15/303661915.db2.gz USRZVWSXGXQOGS-CHWSQXEVSA-N 0 0 323.418 0.756 10 0 DCAERN O=C(NC1CCCCC1)N1CCN[C@H]2CS(=O)(=O)C[C@H]21 ZINC000261338444 303741610 /nfs/dbraw/zinc/74/16/10/303741610.db2.gz ARMAVMZGUZJQPS-NWDGAFQWSA-N 0 0 301.412 0.100 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@@H]1c1cnn(C)c1 ZINC000332770896 332867661 /nfs/dbraw/zinc/86/76/61/332867661.db2.gz APTCCRJMWNYUEE-RUZUBIRVSA-N 0 0 320.393 0.276 10 0 DCAERN Cn1cc(OCC(=O)N2CC[C@@H](Oc3ccccn3)C2)cn1 ZINC000570345218 332743680 /nfs/dbraw/zinc/74/36/80/332743680.db2.gz QEQJNILCXOJBLU-GFCCVEGCSA-N 0 0 302.334 0.874 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCN1CCO ZINC000188810050 333055599 /nfs/dbraw/zinc/05/55/99/333055599.db2.gz FHQJMUWQNWSEHB-ZDUSSCGKSA-N 0 0 320.389 0.987 10 0 DCAERN CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000189025376 333061081 /nfs/dbraw/zinc/06/10/81/333061081.db2.gz URHRNMKYSPMLJB-GHMZBOCLSA-N 0 0 302.338 0.943 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)CO)c1 ZINC000583535954 335685067 /nfs/dbraw/zinc/68/50/67/335685067.db2.gz LWIQZFNGUVCEIE-CQSZACIVSA-N 0 0 312.391 0.582 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC(=O)N(C)c2ccccc21 ZINC000190224780 336261420 /nfs/dbraw/zinc/26/14/20/336261420.db2.gz DBRNOLYOTKEWOZ-GWCFXTLKSA-N 0 0 310.375 0.977 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000190465460 336263392 /nfs/dbraw/zinc/26/33/92/336263392.db2.gz HLIIFDDOPSYZRR-KOLCDFICSA-N 0 0 314.411 0.679 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000583118639 337239093 /nfs/dbraw/zinc/23/90/93/337239093.db2.gz PSZACPWAOGNZMO-CMPLNLGQSA-N 0 0 305.382 0.836 10 0 DCAERN NS(=O)(=O)c1cccc(C2=CCOCC2)c1-c1nn[nH]n1 ZINC000584596528 337374277 /nfs/dbraw/zinc/37/42/77/337374277.db2.gz JGRUUQVFXBXERT-UHFFFAOYSA-N 0 0 307.335 0.318 10 0 DCAERN CCN1CN(CC(=O)NC(=O)NCc2cccs2)CC1=O ZINC000191550881 337680852 /nfs/dbraw/zinc/68/08/52/337680852.db2.gz CBOLIDJEUBATRC-UHFFFAOYSA-N 0 0 310.379 0.196 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000172556691 341801106 /nfs/dbraw/zinc/80/11/06/341801106.db2.gz SVDFTWMYWUWMQE-SRVKXCTJSA-N 0 0 312.414 0.635 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175266631 341836601 /nfs/dbraw/zinc/83/66/01/341836601.db2.gz DXOHROHOPLHYCN-GJZGRUSLSA-N 0 0 302.374 0.983 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000576404776 341844505 /nfs/dbraw/zinc/84/45/05/341844505.db2.gz PLKGBQNDONHQNZ-NWDGAFQWSA-N 0 0 301.412 0.412 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H]1CCOC[C@H]1C ZINC000192573537 341875940 /nfs/dbraw/zinc/87/59/40/341875940.db2.gz PDDHDMRMNSKQGN-SKDRFNHKSA-N 0 0 318.377 0.928 10 0 DCAERN CN1C[C@H](NC(=O)NCC[C@@H]2COc3ccccc3O2)CC1=O ZINC000577453638 341910468 /nfs/dbraw/zinc/91/04/68/341910468.db2.gz HMEQIRRPNWISEE-VXGBXAGGSA-N 0 0 319.361 0.746 10 0 DCAERN CC(C)[C@H](O)CC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000162943969 519822726 /nfs/dbraw/zinc/82/27/26/519822726.db2.gz ZTOPTFOWSWCCTA-SNVBAGLBSA-N 0 0 320.436 0.550 10 0 DCAERN CCCCN(C)C(=O)C[S@](=O)C[C@@H](C)CS(C)(=O)=O ZINC000154634665 520380116 /nfs/dbraw/zinc/38/01/16/520380116.db2.gz UOOYMYZHFRNVIK-ZMZPIMSZSA-N 0 0 311.469 0.674 10 0 DCAERN COc1ccc(NC(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1 ZINC000189142021 534108575 /nfs/dbraw/zinc/10/85/75/534108575.db2.gz ISEWLLDGGLSTKQ-LLVKDONJSA-N 0 0 308.382 0.929 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000299578749 534273644 /nfs/dbraw/zinc/27/36/44/534273644.db2.gz BHRIFTZACFNTQC-CMPLNLGQSA-N 0 0 303.370 0.777 10 0 DCAERN C[C@@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CCN1CCO ZINC000188801437 534302356 /nfs/dbraw/zinc/30/23/56/534302356.db2.gz IPPAGRNFFHAZGA-GFCCVEGCSA-N 0 0 322.409 0.795 10 0 DCAERN COC(=O)C1(NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC000408193610 517984348 /nfs/dbraw/zinc/98/43/48/517984348.db2.gz SYYLLQXLPKXNAT-GHMZBOCLSA-N 0 0 305.396 0.959 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)o1 ZINC000365773417 518306535 /nfs/dbraw/zinc/30/65/35/518306535.db2.gz BLOWLZSOQCDANF-UHFFFAOYSA-N 0 0 321.377 0.718 10 0 DCAERN CC(C)(C(=O)NC[C@@H]1CC(C(N)=O)=NO1)c1ccccc1F ZINC000189854699 518526389 /nfs/dbraw/zinc/52/63/89/518526389.db2.gz QSDNCTWPXWONOL-VIFPVBQESA-N 0 0 307.325 0.850 10 0 DCAERN CC(=O)NC1CN(C(=O)C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000191342029 519647057 /nfs/dbraw/zinc/64/70/57/519647057.db2.gz GEYBJJSUNCJRNE-UHFFFAOYSA-N 0 0 313.716 0.765 10 0 DCAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000112647748 519676461 /nfs/dbraw/zinc/67/64/61/519676461.db2.gz FLWLFENLPMJZGN-CQSZACIVSA-N 0 0 313.361 0.659 10 0 DCAERN CC(C)[C@@H](C(=O)Nc1ccc(C(N)=O)nc1)N1CCCC1=O ZINC000122620998 519789547 /nfs/dbraw/zinc/78/95/47/519789547.db2.gz IHEUHAKEKJLJSV-ZDUSSCGKSA-N 0 0 304.350 0.766 10 0 DCAERN CC(C)[C@@H](O)CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000120639917 519801067 /nfs/dbraw/zinc/80/10/67/519801067.db2.gz HAJWHKQWAKEXLQ-ZDUSSCGKSA-N 0 0 314.407 0.684 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000155186322 519801699 /nfs/dbraw/zinc/80/16/99/519801699.db2.gz YQGXPUFSUPUBLW-LLVKDONJSA-N 0 0 306.370 0.531 10 0 DCAERN CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000185852222 519805372 /nfs/dbraw/zinc/80/53/72/519805372.db2.gz VFHCAKIZYLEZBN-KBPBESRZSA-N 0 0 317.389 0.810 10 0 DCAERN CC(C)c1nc(N(C)C)nc(N2CCN3CCOC[C@H]3C2)n1 ZINC000364877862 519865885 /nfs/dbraw/zinc/86/58/85/519865885.db2.gz AHOSVVMARHTYGD-GFCCVEGCSA-N 0 0 306.414 0.582 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC000157531650 519870131 /nfs/dbraw/zinc/87/01/31/519870131.db2.gz JNLAHRXUTNEHPJ-QWRGUYRKSA-N 0 0 305.382 0.879 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCN(C)C(=O)C1)CC2 ZINC000155368425 519871462 /nfs/dbraw/zinc/87/14/62/519871462.db2.gz UQSUEHKCXNJJSD-NSHDSACASA-N 0 0 320.397 0.200 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000105898689 519891638 /nfs/dbraw/zinc/89/16/38/519891638.db2.gz CNOKRSKYWWTUCO-KBPBESRZSA-N 0 0 309.414 0.846 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190803472 519942308 /nfs/dbraw/zinc/94/23/08/519942308.db2.gz WMRNIOIJUUPINV-CQSZACIVSA-N 0 0 310.398 0.429 10 0 DCAERN CCOCCS(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180966919 520048680 /nfs/dbraw/zinc/04/86/80/520048680.db2.gz OQAZOCBXFSQAAJ-LBPRGKRZSA-N 0 0 302.400 0.356 10 0 DCAERN CC1(C)CN(C(=O)c2ccc3n[nH]nc3c2)CCS1(=O)=O ZINC000162946452 520456269 /nfs/dbraw/zinc/45/62/69/520456269.db2.gz OOBJBSHWSWOVEK-UHFFFAOYSA-N 0 0 308.363 0.607 10 0 DCAERN CC1(C)CN(CC(=O)NCc2cccnc2)CCS1(=O)=O ZINC000155274798 520465506 /nfs/dbraw/zinc/46/55/06/520465506.db2.gz ICAPPWLJOHFYQE-UHFFFAOYSA-N 0 0 311.407 0.207 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(CCO)CC1 ZINC000157566054 520523048 /nfs/dbraw/zinc/52/30/48/520523048.db2.gz SPYKFLVFLPURIO-LBPRGKRZSA-N 0 0 318.439 0.469 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000105889467 520637715 /nfs/dbraw/zinc/63/77/15/520637715.db2.gz AQMDQXVKEDWOSG-ZDUSSCGKSA-N 0 0 323.397 0.210 10 0 DCAERN CCOC(=O)NCCCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000125793662 520983683 /nfs/dbraw/zinc/98/36/83/520983683.db2.gz UNJUDJUXEIQVFL-GFCCVEGCSA-N 0 0 309.370 0.968 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116228905 521233402 /nfs/dbraw/zinc/23/34/02/521233402.db2.gz VSZHHLWPDDPFSC-YPMHNXCESA-N 0 0 307.398 0.963 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000130786238 521669748 /nfs/dbraw/zinc/66/97/48/521669748.db2.gz ULCALQGWNUHTQY-LBPRGKRZSA-N 0 0 314.411 0.294 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCCNC(=O)c1ccsc1 ZINC000120384837 521748305 /nfs/dbraw/zinc/74/83/05/521748305.db2.gz BXRKXTAVBACXAZ-GFCCVEGCSA-N 0 0 323.418 0.995 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nc(C)c(C)s1 ZINC000193170111 521748348 /nfs/dbraw/zinc/74/83/48/521748348.db2.gz QBMBWYLRCIXERH-SECBINFHSA-N 0 0 310.379 0.435 10 0 DCAERN CCc1ccccc1CC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000188279972 521821062 /nfs/dbraw/zinc/82/10/62/521821062.db2.gz SQMWFXONQBNVKL-MRXNPFEDSA-N 0 0 306.406 0.601 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1nc(C)oc1-c1ccccc1 ZINC000188966538 522206745 /nfs/dbraw/zinc/20/67/45/522206745.db2.gz MJDNVESGSQMIJM-UHFFFAOYSA-N 0 0 323.374 0.929 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](OC)C2)C1 ZINC000364988955 522232932 /nfs/dbraw/zinc/23/29/32/522232932.db2.gz XOSFHSVJMROPCZ-QJPTWQEYSA-N 0 0 319.427 0.277 10 0 DCAERN CCc1nc(C2(NC(=O)CN(C)C(=O)COC)CCCC2)no1 ZINC000119784238 522239866 /nfs/dbraw/zinc/23/98/66/522239866.db2.gz CAZDQRAZBXXDMO-UHFFFAOYSA-N 0 0 324.381 0.622 10 0 DCAERN CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000365278639 522245210 /nfs/dbraw/zinc/24/52/10/522245210.db2.gz NGTYBKRLKVCFJW-ZDUSSCGKSA-N 0 0 312.391 0.475 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)CO)c(C)o1 ZINC000132048764 522267834 /nfs/dbraw/zinc/26/78/34/522267834.db2.gz WFPRBUKNPYCAIN-YUMQZZPRSA-N 0 0 304.368 0.243 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)C(=O)N(C)CC ZINC000191045414 522516918 /nfs/dbraw/zinc/51/69/18/522516918.db2.gz ITWXIVHCMCOSGR-GHMZBOCLSA-N 0 0 322.413 0.841 10 0 DCAERN CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC(CO)C2)ncn1 ZINC000189360940 522567796 /nfs/dbraw/zinc/56/77/96/522567796.db2.gz IPUCOGGXRYMMAU-GFCCVEGCSA-N 0 0 320.397 0.121 10 0 DCAERN COCC(=O)NC1CN(C(=O)NCc2ccc(F)c(C)c2)C1 ZINC000188275869 522759833 /nfs/dbraw/zinc/75/98/33/522759833.db2.gz RVHATUOVDRPMFK-UHFFFAOYSA-N 0 0 309.341 0.791 10 0 DCAERN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152209542 522899338 /nfs/dbraw/zinc/89/93/38/522899338.db2.gz SUYUKIVMENFUSI-MNOVXSKESA-N 0 0 308.309 0.905 10 0 DCAERN COCc1ccsc1C(=O)N(C)CC(=O)N1CCOCC1 ZINC000179998593 523128972 /nfs/dbraw/zinc/12/89/72/523128972.db2.gz HIJRBDYXQMPFJS-UHFFFAOYSA-N 0 0 312.391 0.825 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000132302417 523317167 /nfs/dbraw/zinc/31/71/67/523317167.db2.gz HXAYSMSLUTYERM-SMDDNHRTSA-N 0 0 323.393 0.927 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCN1CC(F)F ZINC000245749815 523413544 /nfs/dbraw/zinc/41/35/44/523413544.db2.gz NVWAEWGLQARXLC-VHSXEESVSA-N 0 0 312.382 0.607 10 0 DCAERN CN(c1cccnn1)C1CCN(CC(=O)N2CCOCC2)CC1 ZINC000105806263 523658635 /nfs/dbraw/zinc/65/86/35/523658635.db2.gz OTLLOMSEKWGOJU-UHFFFAOYSA-N 0 0 319.409 0.236 10 0 DCAERN CN1CC(=O)N(CC(=O)N2CCC(c3ccnn3C)CC2)C1=O ZINC000124649518 523738448 /nfs/dbraw/zinc/73/84/48/523738448.db2.gz ZIQJGCCSEQCVMH-UHFFFAOYSA-N 0 0 319.365 0.020 10 0 DCAERN COCCNC(=O)CNC(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000156279939 523895836 /nfs/dbraw/zinc/89/58/36/523895836.db2.gz AYYVESQTZKHDIY-SNVBAGLBSA-N 0 0 309.370 0.738 10 0 DCAERN COC(=O)[C@H](c1cccnc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000156652059 523940367 /nfs/dbraw/zinc/94/03/67/523940367.db2.gz IHYYKCQUQPSTMA-KBMXLJTQSA-N 0 0 319.405 0.948 10 0 DCAERN COC(=O)[C@H]1CCN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1C ZINC000249110533 523962565 /nfs/dbraw/zinc/96/25/65/523962565.db2.gz RCKLPAFSXVQRJL-JQWIXIFHSA-N 0 0 308.382 0.798 10 0 DCAERN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000128108625 523989499 /nfs/dbraw/zinc/98/94/99/523989499.db2.gz JNOPSTIOXTYKHI-LBPRGKRZSA-N 0 0 323.780 0.648 10 0 DCAERN CO[C@H]1CN(C(=O)CNC(=O)NCc2ccco2)CC[C@@H]1C ZINC000187773052 524004677 /nfs/dbraw/zinc/00/46/77/524004677.db2.gz FITUZKROQVKVQK-AAEUAGOBSA-N 0 0 309.366 0.962 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC[C@H]1C ZINC000191300651 524004719 /nfs/dbraw/zinc/00/47/19/524004719.db2.gz FPQFVYPTPJMHER-MFKMUULPSA-N 0 0 321.377 0.516 10 0 DCAERN COCCOCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000124636295 524004755 /nfs/dbraw/zinc/00/47/55/524004755.db2.gz YDIMEWMZPHFJIQ-UHFFFAOYSA-N 0 0 310.398 0.968 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC1=O ZINC000127842696 524009897 /nfs/dbraw/zinc/00/98/97/524009897.db2.gz JELVUHLIVBJGHP-OLZOCXBDSA-N 0 0 320.397 0.321 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)CCC1=O ZINC000128779845 524009939 /nfs/dbraw/zinc/00/99/39/524009939.db2.gz MEUPJUJMBAYNGE-AWEZNQCLSA-N 0 0 319.409 0.926 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@H](c3nccs3)C2)CC1=O ZINC000267624592 524010352 /nfs/dbraw/zinc/01/03/52/524010352.db2.gz LLLNRCBOUVZXMV-UWVGGRQHSA-N 0 0 310.379 0.457 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)N(C)C[C@H]2CCCO2)c1 ZINC000119979995 524075059 /nfs/dbraw/zinc/07/50/59/524075059.db2.gz ZUWYARYEMWNRMS-OAHLLOKOSA-N 0 0 320.389 0.991 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000120369452 524082534 /nfs/dbraw/zinc/08/25/34/524082534.db2.gz UCIASEASJLGKBX-LBPRGKRZSA-N 0 0 310.375 0.441 10 0 DCAERN COc1ccccc1-c1nnc(CN2CCN(CCO)CC2)o1 ZINC000158263104 524285601 /nfs/dbraw/zinc/28/56/01/524285601.db2.gz ZDXWYCPMRIJKED-UHFFFAOYSA-N 0 0 318.377 0.855 10 0 DCAERN Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(CO)C3)C2=O)cc1 ZINC000188590014 524467630 /nfs/dbraw/zinc/46/76/30/524467630.db2.gz VKLBFFKJIGKIHT-OAHLLOKOSA-N 0 0 317.389 0.730 10 0 DCAERN C[C@H]1CN(C(=O)c2cncc(Cl)n2)C[C@H]1N1CCOCC1 ZINC000189452324 524549166 /nfs/dbraw/zinc/54/91/66/524549166.db2.gz WXARDFDADYXXNC-CMPLNLGQSA-N 0 0 310.785 0.923 10 0 DCAERN C[C@H]1CN(c2ccc(C(=O)N3CC(CO)C3)cn2)C[C@H](C)O1 ZINC000157007343 524669635 /nfs/dbraw/zinc/66/96/35/524669635.db2.gz WCEBOJYBJIPDHI-RYUDHWBXSA-N 0 0 305.378 0.760 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000131187166 524734934 /nfs/dbraw/zinc/73/49/34/524734934.db2.gz YLFXUKWEKNVWOW-RYUDHWBXSA-N 0 0 303.362 0.976 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)C[C@@H](C)O1 ZINC000270503378 524752957 /nfs/dbraw/zinc/75/29/57/524752957.db2.gz DWLWQMDGQNMXOV-NXEZZACHSA-N 0 0 306.366 0.483 10 0 DCAERN Cc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000152747648 524839676 /nfs/dbraw/zinc/83/96/76/524839676.db2.gz XOZBLLMFKFTVRD-KGLIPLIRSA-N 0 0 315.377 0.934 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000182913759 524883154 /nfs/dbraw/zinc/88/31/54/524883154.db2.gz YOEDQSMIVORICV-SKLCBMLGSA-N 0 0 309.434 0.648 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccccn1 ZINC000116938051 525040778 /nfs/dbraw/zinc/04/07/78/525040778.db2.gz LBPBPJSFPZKMEJ-QWRGUYRKSA-N 0 0 312.395 0.476 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CCC1=O ZINC000195460812 525047131 /nfs/dbraw/zinc/04/71/31/525047131.db2.gz CKMAWMYEQLQAMC-LLVKDONJSA-N 0 0 324.402 0.988 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1)[C@H](C)CO ZINC000192044642 525049732 /nfs/dbraw/zinc/04/97/32/525049732.db2.gz XDJDEWIETGIHCP-MXWKQRLJSA-N 0 0 308.382 0.926 10 0 DCAERN Cc1cc(N2CCC(NC(=O)CC[S@](C)=O)CC2)nc(C)n1 ZINC000156829621 525057383 /nfs/dbraw/zinc/05/73/83/525057383.db2.gz PWWGJZUDYZLJSF-JOCHJYFZSA-N 0 0 324.450 0.947 10 0 DCAERN C[C@@H]1CN(c2ccc(C(=O)N3CC(CO)C3)cn2)C[C@H](C)O1 ZINC000157007184 525063827 /nfs/dbraw/zinc/06/38/27/525063827.db2.gz WCEBOJYBJIPDHI-TXEJJXNPSA-N 0 0 305.378 0.760 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000189252390 525324905 /nfs/dbraw/zinc/32/49/05/525324905.db2.gz OWGMLAJJCNQERN-MFKMUULPSA-N 0 0 312.391 0.660 10 0 DCAERN Cc1ccccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000267090844 525330458 /nfs/dbraw/zinc/33/04/58/525330458.db2.gz UTMMGMZCOVFVTG-NSHDSACASA-N 0 0 303.405 0.803 10 0 DCAERN Cc1ccccc1[C@@H]1CN(C(=O)CN2CCOCC2=O)CCO1 ZINC000365598027 525384185 /nfs/dbraw/zinc/38/41/85/525384185.db2.gz KAYWDTOJYFTZAH-HNNXBMFYSA-N 0 0 318.373 0.754 10 0 DCAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)CO ZINC000158787393 525575699 /nfs/dbraw/zinc/57/56/99/525575699.db2.gz NMGDUBWNHBSORF-NXEZZACHSA-N 0 0 321.420 0.385 10 0 DCAERN C[C@H](O)CCNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188379836 525726846 /nfs/dbraw/zinc/72/68/46/525726846.db2.gz WBLIOQBDLLXOQS-FZMZJTMJSA-N 0 0 323.368 0.997 10 0 DCAERN C[C@H](O)CN1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000189384747 525769953 /nfs/dbraw/zinc/76/99/53/525769953.db2.gz WIPGSAVOYWTUBO-LBPRGKRZSA-N 0 0 305.382 0.574 10 0 DCAERN C[C@H](C(=O)N1CCCNC(=O)[C@H]1C)n1nnnc1C(C)(C)C ZINC000365087603 525967651 /nfs/dbraw/zinc/96/76/51/525967651.db2.gz GHWFVOHLMOYYQD-NXEZZACHSA-N 0 0 308.386 0.269 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)c1cn(C)c2ccccc12 ZINC000185850897 525987225 /nfs/dbraw/zinc/98/72/25/525987225.db2.gz LJTVQBGLTUWTLG-NHYWBVRUSA-N 0 0 315.373 0.995 10 0 DCAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CC(=O)N(C)C3)C2)c1 ZINC000267527394 526267626 /nfs/dbraw/zinc/26/76/26/526267626.db2.gz XVHOTDFJUHLPBO-OLZOCXBDSA-N 0 0 305.382 0.769 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000154726364 526482399 /nfs/dbraw/zinc/48/23/99/526482399.db2.gz FMMSOVCQIGSDOA-OCCSQVGLSA-N 0 0 310.394 0.699 10 0 DCAERN O=C(CCNC(=O)c1ccco1)N1CCO[C@]2(CCOC2)C1 ZINC000186042536 526506727 /nfs/dbraw/zinc/50/67/27/526506727.db2.gz JNJKEMBAABVOOL-OAHLLOKOSA-N 0 0 308.334 0.417 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC000188351482 526514323 /nfs/dbraw/zinc/51/43/23/526514323.db2.gz SUEPJJGWSGAGMQ-GFCCVEGCSA-N 0 0 323.437 0.864 10 0 DCAERN O=C(CCc1cccc2c1OCO2)N1CCN2CCOC[C@H]2C1 ZINC000364265616 526604108 /nfs/dbraw/zinc/60/41/08/526604108.db2.gz HWGMSTHARKWJMT-CQSZACIVSA-N 0 0 318.373 0.891 10 0 DCAERN Cc1noc(CCNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)n1 ZINC000153986210 526609376 /nfs/dbraw/zinc/60/93/76/526609376.db2.gz GESCNPIDFGQADQ-LBPRGKRZSA-N 0 0 321.312 0.585 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000175248512 526641834 /nfs/dbraw/zinc/64/18/34/526641834.db2.gz PVGLIUPVJATORF-CQSZACIVSA-N 0 0 302.378 0.599 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC000170804581 526677947 /nfs/dbraw/zinc/67/79/47/526677947.db2.gz LVKJBRUTWLDUTH-OLZOCXBDSA-N 0 0 300.424 0.965 10 0 DCAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCC1(CCO)CC1 ZINC000188038627 526710318 /nfs/dbraw/zinc/71/03/18/526710318.db2.gz YJCURZPGCMFMLA-SNVBAGLBSA-N 0 0 306.428 0.229 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000188722615 526854039 /nfs/dbraw/zinc/85/40/39/526854039.db2.gz XJDMHKMCGOIEPM-AEJSXWLSSA-N 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GTPSCACMHSVONJ-GMSGAONNSA-N 0 0 306.244 0.110 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C2 ZINC000372217500 527320948 /nfs/dbraw/zinc/32/09/48/527320948.db2.gz QBKXZAVDWGDRQP-MFKMUULPSA-N 0 0 310.423 0.961 10 0 DCAERN Cc1nccnc1[C@@H](C)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205223 527456702 /nfs/dbraw/zinc/45/67/02/527456702.db2.gz STKWGQSTOKRFCL-YPMHNXCESA-N 0 0 300.366 0.975 10 0 DCAERN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1C[C@H](O)C[C@@H]1CO ZINC000184718412 527492400 /nfs/dbraw/zinc/49/24/00/527492400.db2.gz KJDNYYCHLSQCRY-KFWWJZLASA-N 0 0 308.353 0.573 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](F)C[C@@H]1CO ZINC000364167143 527564449 /nfs/dbraw/zinc/56/44/49/527564449.db2.gz GUZYPZJCMDFVSV-HTQZYQBOSA-N 0 0 309.750 0.411 10 0 DCAERN CCC[C@@H]1C[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCO1 ZINC000183823639 527808511 /nfs/dbraw/zinc/80/85/11/527808511.db2.gz GFUBJICOGPMIHT-RWMBFGLXSA-N 0 0 318.439 0.732 10 0 DCAERN CC(C)Oc1nccnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000302168031 528288724 /nfs/dbraw/zinc/28/87/24/528288724.db2.gz SIZOSMHLSRONSX-NSHDSACASA-N 0 0 314.411 0.734 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)N2CCSCC2)C1 ZINC000151893191 528404892 /nfs/dbraw/zinc/40/48/92/528404892.db2.gz VFHCUJDIDRIZOO-QWHCGFSZSA-N 0 0 313.467 0.941 10 0 DCAERN CCOC(C)(C)CNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000187720920 528413100 /nfs/dbraw/zinc/41/31/00/528413100.db2.gz ZBMUXIQWHOOAFI-CYBMUJFWSA-N 0 0 301.431 0.900 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)NCC(=O)N2CCCC2)C1 ZINC000154657050 528418080 /nfs/dbraw/zinc/41/80/80/528418080.db2.gz ADXBVUGZSXNJLX-LBPRGKRZSA-N 0 0 310.398 0.309 10 0 DCAERN CC(C)n1ccnc1CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000170958726 528605624 /nfs/dbraw/zinc/60/56/24/528605624.db2.gz AHLBWGWWYWQFAO-GFCCVEGCSA-N 0 0 315.443 0.469 10 0 DCAERN CCOCCN1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 ZINC000188028976 528740687 /nfs/dbraw/zinc/74/06/87/528740687.db2.gz IPQGLRDUERSHQU-UHFFFAOYSA-N 0 0 324.381 0.242 10 0 DCAERN CC(C)[C@H](C(=O)N(C)[C@H]1CCOC1)N1CCCS1(=O)=O ZINC000156062184 528909468 /nfs/dbraw/zinc/90/94/68/528909468.db2.gz ZBGHLHALWDNEQP-NWDGAFQWSA-N 0 0 304.412 0.294 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1=O ZINC000172592049 529081178 /nfs/dbraw/zinc/08/11/78/529081178.db2.gz DJPCNZSZQALGSX-TUAOUCFPSA-N 0 0 310.398 0.339 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)C(=O)N1CCOCC1 ZINC000189107215 529103527 /nfs/dbraw/zinc/10/35/27/529103527.db2.gz JTSHKQUESYASTL-MJBXVCDLSA-N 0 0 312.410 0.801 10 0 DCAERN CC[NH2+][C@@](C)(Cn1cc(I)cn1)C(N)=O ZINC000070678702 545661534 /nfs/dbraw/zinc/66/15/34/545661534.db2.gz RJKHGMQTIHLVDK-VIFPVBQESA-N 0 0 322.150 0.341 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCC[C@H]3CCCO3)cc2o1 ZINC000074850636 545672538 /nfs/dbraw/zinc/67/25/38/545672538.db2.gz PBQCBCADDNSKHY-SECBINFHSA-N 0 0 312.347 0.969 10 0 DCAERN CC[C@H]1C(=O)NCCN1c1cncc(-n2nc(C)cc2C)n1 ZINC000092666529 545723802 /nfs/dbraw/zinc/72/38/02/545723802.db2.gz JTSIIAUIBYISLC-LBPRGKRZSA-N 0 0 300.366 0.994 10 0 DCAERN O=C(CNC(=O)c1ccc(Br)o1)NC1COC1 ZINC000094710445 545728163 /nfs/dbraw/zinc/72/81/63/545728163.db2.gz RPXLZXBWKIZMIR-UHFFFAOYSA-N 0 0 303.112 0.287 10 0 DCAERN CN1CCO[C@H]2CN(S(=O)(=O)C3Cc4ccccc4C3)C[C@@H]21 ZINC000128853664 545782648 /nfs/dbraw/zinc/78/26/48/545782648.db2.gz MFVIWUJLHBYPLH-HOTGVXAUSA-N 0 0 322.430 0.498 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1S(C)(=O)=O ZINC000129170012 545782753 /nfs/dbraw/zinc/78/27/53/545782753.db2.gz ONDGJSUVZZGRCU-KOLCDFICSA-N 0 0 310.375 0.862 10 0 DCAERN CN(c1nc(CN2CCN(C(=O)CO)CC2)cs1)C1CC1 ZINC000152470077 545824754 /nfs/dbraw/zinc/82/47/54/545824754.db2.gz FIKCUYYQNLAMSL-UHFFFAOYSA-N 0 0 310.423 0.378 10 0 DCAERN CN(C)c1nc(CN2CCC[C@H](NS(C)(=O)=O)C2)ns1 ZINC000163728497 545873362 /nfs/dbraw/zinc/87/33/62/545873362.db2.gz VGULMONMDDFCMZ-VIFPVBQESA-N 0 0 319.456 0.118 10 0 DCAERN Cc1cnn(CCNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000174961882 545885412 /nfs/dbraw/zinc/88/54/12/545885412.db2.gz GOYMTTZCTZXDKD-UHFFFAOYSA-N 0 0 322.390 0.577 10 0 DCAERN CN1CCO[C@@H](C(=O)NCCc2cc(F)cc3c2OCOC3)C1 ZINC000174626955 545885526 /nfs/dbraw/zinc/88/55/26/545885526.db2.gz GIAAJQXTXZEXCO-CQSZACIVSA-N 0 0 324.352 0.682 10 0 DCAERN CN(C)C(=O)C1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000177480415 545891977 /nfs/dbraw/zinc/89/19/77/545891977.db2.gz BSGPEVMQOCMFGR-CYBMUJFWSA-N 0 0 318.439 0.686 10 0 DCAERN [NH3+]C1(C(=O)N2CCN(c3ccc4nncn4n3)CC2)CCCC1 ZINC000178771439 545896984 /nfs/dbraw/zinc/89/69/84/545896984.db2.gz WUZNXHDXGXEZNK-UHFFFAOYSA-N 0 0 315.381 0.044 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000179430496 545899366 /nfs/dbraw/zinc/89/93/66/545899366.db2.gz DWQHSVPGDFPYTM-UWVGGRQHSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cncnc2)CC1 ZINC000180175888 545901269 /nfs/dbraw/zinc/90/12/69/545901269.db2.gz UQUBLVNNEWLLAV-CQSZACIVSA-N 0 0 303.410 0.605 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)ccn1C ZINC000192520407 545928119 /nfs/dbraw/zinc/92/81/19/545928119.db2.gz QHNYAXVGJRHILO-AAEUAGOBSA-N 0 0 313.423 0.781 10 0 DCAERN CCc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000195005594 545933470 /nfs/dbraw/zinc/93/34/70/545933470.db2.gz KOELBJRSXSIVSV-QGZVFWFLSA-N 0 0 315.373 0.992 10 0 DCAERN Cc1cc(N2CC[C@H](NC(=O)c3ccn(C)c3C)C2=O)n(C)n1 ZINC000195286118 545934007 /nfs/dbraw/zinc/93/40/07/545934007.db2.gz CJMAEXJVNKAGMI-ZDUSSCGKSA-N 0 0 315.377 0.911 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245705737 545962139 /nfs/dbraw/zinc/96/21/39/545962139.db2.gz XNNSIBXFGDRRRA-HYVNUMGLSA-N 0 0 318.417 0.908 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000261889039 545978036 /nfs/dbraw/zinc/97/80/36/545978036.db2.gz GEVUNIBXYHPDKU-DOMZBBRYSA-N 0 0 305.378 0.418 10 0 DCAERN CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000328989321 546041558 /nfs/dbraw/zinc/04/15/58/546041558.db2.gz CQNJJGNOTWXPPT-NDBYEHHHSA-N 0 0 308.382 0.919 10 0 DCAERN COCCO[C@@H]1COCC[C@@H]1N1C(=O)N2CCC[C@]2(C)C1=O ZINC000330315251 546057349 /nfs/dbraw/zinc/05/73/49/546057349.db2.gz YNSHEWQGFSZCKV-YWPYICTPSA-N 0 0 312.366 0.624 10 0 DCAERN C[C@@H](NC(=O)N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCCO1 ZINC000332796100 546061015 /nfs/dbraw/zinc/06/10/15/546061015.db2.gz QJESDEQNKBWXSH-YVECIDJPSA-N 0 0 309.370 0.475 10 0 DCAERN C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCOC1)N1CCOCC1 ZINC000332987237 546068491 /nfs/dbraw/zinc/06/84/91/546068491.db2.gz BAWZBXLYLKTXCZ-RYUDHWBXSA-N 0 0 308.382 0.364 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C1 ZINC000333356574 546078836 /nfs/dbraw/zinc/07/88/36/546078836.db2.gz GMUZESYLUKLBBG-FQUUOJAGSA-N 0 0 324.381 0.041 10 0 DCAERN Cn1cc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)c(C2CC2)n1 ZINC000333397129 546080413 /nfs/dbraw/zinc/08/04/13/546080413.db2.gz NEEQKRRQRFJEMM-SECBINFHSA-N 0 0 305.338 0.566 10 0 DCAERN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CCO1 ZINC000333608524 546086410 /nfs/dbraw/zinc/08/64/10/546086410.db2.gz ROGGBJBLUZXKPR-CTHBEMJXSA-N 0 0 323.393 0.496 10 0 DCAERN CCN1CCO[C@@H](CNCc2c(Br)cnn2C)C1 ZINC000381411144 546215638 /nfs/dbraw/zinc/21/56/38/546215638.db2.gz YRSHLXFKCWOWKF-JTQLQIEISA-N 0 0 317.231 0.993 10 0 DCAERN C[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000401963651 546226482 /nfs/dbraw/zinc/22/64/82/546226482.db2.gz QWUJZUQPKKOIOI-UTUOFQBUSA-N 0 0 304.412 0.030 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2nscc2Br)C1=O ZINC000404953092 546228882 /nfs/dbraw/zinc/22/88/82/546228882.db2.gz QDWBXJPIOKOWCP-YFKPBYRVSA-N 0 0 318.152 0.393 10 0 DCAERN CC(C)Oc1nccnc1N1CC[C@](O)(Cn2ccnn2)C1 ZINC000671466365 547218679 /nfs/dbraw/zinc/21/86/79/547218679.db2.gz LNLAMMFBPISUSX-CQSZACIVSA-N 0 0 304.354 0.497 10 0 DCAERN CN1[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C(=O)CS1(=O)=O ZINC000725256316 548748797 /nfs/dbraw/zinc/74/87/97/548748797.db2.gz DJVMJIMBMNZZRC-GFCCVEGCSA-N 0 0 304.368 0.210 10 0 DCAERN O=C(c1ccc(Br)nc1)N1C[C@H](O)[C@@H](CO)C1 ZINC000316745703 1190416644 /nfs/dbraw/zinc/41/66/44/1190416644.db2.gz YJPNUTNSIMFTMG-BDAKNGLRSA-N 0 0 301.140 0.269 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722334279 660847866 /nfs/dbraw/zinc/84/78/66/660847866.db2.gz PQWCEEGKURCAFY-RYUDHWBXSA-N 0 0 305.396 0.817 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cncnc2C)cn1 ZINC000888093569 661158354 /nfs/dbraw/zinc/15/83/54/661158354.db2.gz HJHBBDIEGFZDFO-UONOGXRCSA-N 0 0 317.349 0.578 10 0 DCAERN CN(Cc1cccn1C)C(=O)c1coc(CN2CC[C@@H](O)C2)n1 ZINC000888094783 661162684 /nfs/dbraw/zinc/16/26/84/661162684.db2.gz CTSRXEWNSVTATI-CYBMUJFWSA-N 0 0 318.377 0.852 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000337052921 661214248 /nfs/dbraw/zinc/21/42/48/661214248.db2.gz SSMIBRXUCHJEBY-SFYZADRCSA-N 0 0 300.302 0.337 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000343568592 657539729 /nfs/dbraw/zinc/53/97/29/657539729.db2.gz AFQKOHJTYWXOBC-SCZZXKLOSA-N 0 0 302.396 0.754 10 0 DCAERN CS(=O)(=O)CCNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000178239717 657611933 /nfs/dbraw/zinc/61/19/33/657611933.db2.gz JZLJLYMMFQSXAT-UHFFFAOYSA-N 0 0 314.411 0.842 10 0 DCAERN Cn1ccc(C(=O)NCC(C)(C)CS(C)(=O)=O)cc1=O ZINC000723861062 657674706 /nfs/dbraw/zinc/67/47/06/657674706.db2.gz RNLBKLSVESADBJ-UHFFFAOYSA-N 0 0 300.380 0.186 10 0 DCAERN Cc1nnc2n1C[C@H](C(=O)N1CCC(=O)C[C@H]1C1CC1)N(C)C2 ZINC000891807861 657776848 /nfs/dbraw/zinc/77/68/48/657776848.db2.gz KFLMHHBIJSYRFH-UONOGXRCSA-N 0 0 317.393 0.371 10 0 DCAERN Cc1ccsc1CNC(=O)C[C@H]1CNCCS1(=O)=O ZINC000725007348 658020474 /nfs/dbraw/zinc/02/04/74/658020474.db2.gz ZNZHETLOEFIZOO-JTQLQIEISA-N 0 0 302.421 0.449 10 0 DCAERN C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@@H]2CNCCS2(=O)=O)C1 ZINC000725019240 658023559 /nfs/dbraw/zinc/02/35/59/658023559.db2.gz YGMSHEPJKOOIRU-JHJVBQTASA-N 0 0 302.440 0.800 10 0 DCAERN O=C(C[C@@H]1CNCCS1(=O)=O)NCc1ccc(F)cc1 ZINC000725062783 658096222 /nfs/dbraw/zinc/09/62/22/658096222.db2.gz ZLIRREXERKJQHZ-GFCCVEGCSA-N 0 0 300.355 0.219 10 0 DCAERN C=C(Br)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000050216976 658141630 /nfs/dbraw/zinc/14/16/30/658141630.db2.gz HQNWKZOQEMWGCT-UHFFFAOYSA-N 0 0 305.128 0.769 10 0 DCAERN COCc1csc(C(=O)NCC2(S(N)(=O)=O)CCC2)c1 ZINC000721585483 658164056 /nfs/dbraw/zinc/16/40/56/658164056.db2.gz JAVINYUPMPGBBZ-UHFFFAOYSA-N 0 0 318.420 0.836 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@H](O)c1ccsc1 ZINC000160530230 658186649 /nfs/dbraw/zinc/18/66/49/658186649.db2.gz SFDFOXUTBBLCJH-LBPRGKRZSA-N 0 0 305.359 0.723 10 0 DCAERN O=C1NC[C@@H]2CN(S(=O)(=O)C=Cc3ccccc3)CCN12 ZINC000255698684 658483554 /nfs/dbraw/zinc/48/35/54/658483554.db2.gz LNCBJJAOQUDWAC-OYVUYXNMSA-N 0 0 307.375 0.697 10 0 DCAERN Cc1cccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1O ZINC000255730387 658494484 /nfs/dbraw/zinc/49/44/84/658494484.db2.gz QBHADCGVLRSYCQ-FPLPWBNLSA-N 0 0 315.329 0.750 10 0 DCAERN COC(=O)CC(=Nc1ccc(N(C)C)cc1)C(=O)NCCO ZINC000096300956 658582056 /nfs/dbraw/zinc/58/20/56/658582056.db2.gz OWLIPQRLGABMQS-RAXLEYEMSA-N 0 0 307.350 0.330 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(F)(F)C(F)F ZINC000179676409 658671942 /nfs/dbraw/zinc/67/19/42/658671942.db2.gz WBWHKTWUGWFBEL-ZCFIWIBFSA-N 0 0 307.265 0.854 10 0 DCAERN CNC(=O)c1ccccc1OS(=O)(=O)c1cn(C)c(C)n1 ZINC000066099327 658776070 /nfs/dbraw/zinc/77/60/70/658776070.db2.gz ZGSQHXGZJCYEPM-UHFFFAOYSA-N 0 0 309.347 0.856 10 0 DCAERN NS(=O)(=O)c1ccc(CNS(=O)(=O)C2CCC2)cc1 ZINC000717710978 667877736 /nfs/dbraw/zinc/87/77/36/667877736.db2.gz NUGWONDTEPXFCH-UHFFFAOYSA-N 0 0 304.393 0.306 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000178130496 658883921 /nfs/dbraw/zinc/88/39/21/658883921.db2.gz BTKNNOVGPVJZKK-ZDUSSCGKSA-N 0 0 302.330 0.363 10 0 DCAERN CCCCN(C(=O)C[C@H](N)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000724722458 658930058 /nfs/dbraw/zinc/93/00/58/658930058.db2.gz VVJYUFNEVUEVSS-UWVGGRQHSA-N 0 0 312.382 0.785 10 0 DCAERN CO[C@@H]1CCC[C@H](OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000255906657 658997093 /nfs/dbraw/zinc/99/70/93/658997093.db2.gz VWFJJKPETJFMRC-XRMAHGQMSA-N 0 0 322.361 0.598 10 0 DCAERN Cn1c(-c2ccncc2)nn(CN2CCNC(=O)CC2)c1=S ZINC000125204747 659107600 /nfs/dbraw/zinc/10/76/00/659107600.db2.gz BALJYOSLCZHZNP-UHFFFAOYSA-N 0 0 318.406 0.792 10 0 DCAERN O=C1NCCC[C@@H]1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000311629222 659338105 /nfs/dbraw/zinc/33/81/05/659338105.db2.gz YSZOKGJMJCZRTN-QMMMGPOBSA-N 0 0 307.734 0.431 10 0 DCAERN O=C1[C@@H](N2CCO[C@@]3(CCOC3)C2)CCN1C1CCOCC1 ZINC000329916567 659414589 /nfs/dbraw/zinc/41/45/89/659414589.db2.gz YXKTYQIRNRVQAD-HOCLYGCPSA-N 0 0 310.394 0.258 10 0 DCAERN COc1cccc([C@H](O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000158977949 659562495 /nfs/dbraw/zinc/56/24/95/659562495.db2.gz GMBYUVRPTJADFJ-DOMZBBRYSA-N 0 0 308.378 0.566 10 0 DCAERN CCCn1cc(NC(=O)NC[C@H](O)CN2CCOCC2)cn1 ZINC000092926872 659586739 /nfs/dbraw/zinc/58/67/39/659586739.db2.gz VUWUPLQZCBXYGA-ZDUSSCGKSA-N 0 0 311.386 0.108 10 0 DCAERN CO[C@@H](C(=O)N1CCC[C@H]1Cn1ccnc1)c1cnn(C)c1 ZINC000282868307 659660357 /nfs/dbraw/zinc/66/03/57/659660357.db2.gz UVIBYUIXCRQFQR-UONOGXRCSA-N 0 0 303.366 0.995 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000248704949 661528690 /nfs/dbraw/zinc/52/86/90/661528690.db2.gz OJBBFBGFRAJKCP-IONNQARKSA-N 0 0 323.802 0.152 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000222650818 661626138 /nfs/dbraw/zinc/62/61/38/661626138.db2.gz KBYZFQYHPCZTKQ-KGLIPLIRSA-N 0 0 303.362 0.823 10 0 DCAERN O=C(COC1CCCCC1)NC[C@H](O)CN1CCOCC1 ZINC000129247358 661630916 /nfs/dbraw/zinc/63/09/16/661630916.db2.gz ZNHDNGYPTOMGEN-ZDUSSCGKSA-N 0 0 300.399 0.145 10 0 DCAERN CN(C)c1nc2ccccc2n(CCC(=O)N(C)CCO)c1=O ZINC000222871236 661684409 /nfs/dbraw/zinc/68/44/09/661684409.db2.gz OWDWWEZRINJHAS-UHFFFAOYSA-N 0 0 318.377 0.303 10 0 DCAERN O=S(=O)(C[C@@H]1CCCO1)N1CCNC[C@H]1c1cccnc1 ZINC000261828688 661732795 /nfs/dbraw/zinc/73/27/95/661732795.db2.gz YMPKCBSHIDQIQB-KBPBESRZSA-N 0 0 311.407 0.537 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000338932743 661807505 /nfs/dbraw/zinc/80/75/05/661807505.db2.gz CGAKQDTXDIEVTL-GFCCVEGCSA-N 0 0 313.423 0.235 10 0 DCAERN O=C(CO)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000182430299 665809505 /nfs/dbraw/zinc/80/95/05/665809505.db2.gz GJEKSQRBOMWRDV-IZZDOVSWSA-N 0 0 310.375 0.124 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NCCNC(=O)C(C)C ZINC000048665420 661956368 /nfs/dbraw/zinc/95/63/68/661956368.db2.gz YWAJHGYSNIOYNR-UHFFFAOYSA-N 0 0 322.818 0.432 10 0 DCAERN Cc1ncoc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000894508925 661975749 /nfs/dbraw/zinc/97/57/49/661975749.db2.gz GLHCHPSTMSTSIC-LBPRGKRZSA-N 0 0 303.366 0.835 10 0 DCAERN Cn1ncc(CNc2ncc(I)cn2)n1 ZINC000306510783 662020567 /nfs/dbraw/zinc/02/05/67/662020567.db2.gz LNRLNZQOFKGPSH-UHFFFAOYSA-N 0 0 316.106 0.822 10 0 DCAERN CN(CCS(C)(=O)=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000728054749 662338948 /nfs/dbraw/zinc/33/89/48/662338948.db2.gz OVBYRUCXQXUQQY-UHFFFAOYSA-N 0 0 314.363 0.330 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCOC[C@H]1CCCO1 ZINC000342856075 662628401 /nfs/dbraw/zinc/62/84/01/662628401.db2.gz BWBMKOFWZRNDHG-OLZOCXBDSA-N 0 0 316.423 0.610 10 0 DCAERN CC(=O)N[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000008181341 662703942 /nfs/dbraw/zinc/70/39/42/662703942.db2.gz JLJXEOSACKEQLH-LBPRGKRZSA-N 0 0 322.321 0.517 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC2(C)OCCO2)cc1C ZINC000179194115 662823303 /nfs/dbraw/zinc/82/33/03/662823303.db2.gz TUWFAPPGYACZEE-UHFFFAOYSA-N 0 0 306.362 0.912 10 0 DCAERN Cc1cc2[nH]c(=O)c(C(=O)O[C@@H](C(=O)N(C)C)C(C)C)cn2n1 ZINC000729710483 662907694 /nfs/dbraw/zinc/90/76/94/662907694.db2.gz PBASWNUQPYXWQE-GFCCVEGCSA-N 0 0 320.349 0.601 10 0 DCAERN C[C@@H](NS(=O)(=O)c1cncc(Br)c1)[C@H](C)O ZINC000344925637 663081084 /nfs/dbraw/zinc/08/10/84/663081084.db2.gz XUJCTLLOPOWHMT-RQJHMYQMSA-N 0 0 309.185 0.892 10 0 DCAERN C[C@H]1CN(C)C[C@@H](C(=O)NCCN=S2(=O)CCCC2)O1 ZINC000898433255 663090555 /nfs/dbraw/zinc/09/05/55/663090555.db2.gz PSWAZPDKHYIROL-RYUDHWBXSA-N 0 0 303.428 0.084 10 0 DCAERN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C[C@H](C)O2)C1 ZINC000898558167 663095563 /nfs/dbraw/zinc/09/55/63/663095563.db2.gz XGAHAAJEALIYBP-RNJOBUHISA-N 0 0 316.373 0.455 10 0 DCAERN COC(=O)Cc1nc(NC(=O)c2ccnc3[nH]c(C)nc32)n[nH]1 ZINC000435460623 663198181 /nfs/dbraw/zinc/19/81/81/663198181.db2.gz SCKHAZSXNFJMBM-UHFFFAOYSA-N 0 0 315.293 0.352 10 0 DCAERN NC(=O)[C@H]1CCCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900159618 663220545 /nfs/dbraw/zinc/22/05/45/663220545.db2.gz LPZMFGSNIPSLDO-FGNRJIRKSA-N 0 0 310.419 0.811 10 0 DCAERN CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000900895424 663291053 /nfs/dbraw/zinc/29/10/53/663291053.db2.gz PKBIBMPUTLHQGF-XQQFMLRXSA-N 0 0 322.409 0.747 10 0 DCAERN CCCn1ccc(CNC(=O)[C@H]2Cn3c(C)nnc3CN2C)c1 ZINC000907686454 663712331 /nfs/dbraw/zinc/71/23/31/663712331.db2.gz UZXFHXPKATXCSB-CQSZACIVSA-N 0 0 316.409 0.928 10 0 DCAERN O=C(COC1CCCCC1)NC[C@@H](O)CN1CCOCC1 ZINC000129247635 663779706 /nfs/dbraw/zinc/77/97/06/663779706.db2.gz ZNHDNGYPTOMGEN-CYBMUJFWSA-N 0 0 300.399 0.145 10 0 DCAERN COc1cc(CC(=O)N[C@@H]2C[C@@H](O)[C@H]2n2cccn2)ccc1O ZINC000909185059 663784284 /nfs/dbraw/zinc/78/42/84/663784284.db2.gz HTGBGJDQVDMYPH-KFNAQCHYSA-N 0 0 317.345 0.631 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909173025 663785786 /nfs/dbraw/zinc/78/57/86/663785786.db2.gz LUOBWKUUVGXJJL-MBNYWOFBSA-N 0 0 319.365 0.103 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1([S@](C)=O)CCC1 ZINC000438133486 664051253 /nfs/dbraw/zinc/05/12/53/664051253.db2.gz UVNWJXNYVVCGCD-DGIBIBHMSA-N 0 0 304.437 0.325 10 0 DCAERN C[C@@H]1CN(C)C[C@@H](C(=O)Nc2cncnc2-n2cccn2)O1 ZINC000911971499 664128876 /nfs/dbraw/zinc/12/88/76/664128876.db2.gz YAQKFOOEXFARQH-PWSUYJOCSA-N 0 0 302.338 0.320 10 0 DCAERN O=C(Cc1ccn(-c2ccccc2)n1)N1CCOC[C@H]1CO ZINC000912420706 664174095 /nfs/dbraw/zinc/17/40/95/664174095.db2.gz MKDQEGLFCVZRNJ-OAHLLOKOSA-N 0 0 301.346 0.635 10 0 DCAERN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCOC[C@H]1CO ZINC000912422714 664174390 /nfs/dbraw/zinc/17/43/90/664174390.db2.gz RDMXGTIZWHMBTH-GFCCVEGCSA-N 0 0 322.752 0.754 10 0 DCAERN O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCOC[C@H]1CO ZINC000912423159 664174395 /nfs/dbraw/zinc/17/43/95/664174395.db2.gz UDZYKYHBKXQKJC-ZIAGYGMSSA-N 0 0 322.336 0.398 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](O)c2cccc(OC)c2)CC1 ZINC000163629581 664242750 /nfs/dbraw/zinc/24/27/50/664242750.db2.gz RONMRHVSXXFUQU-ZBFHGGJFSA-N 0 0 322.405 0.644 10 0 DCAERN Cc1nonc1C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913090465 664267181 /nfs/dbraw/zinc/26/71/81/664267181.db2.gz SYQDRTIBPULWGT-ZWNOBZJWSA-N 0 0 305.338 0.988 10 0 DCAERN C[C@@](O)(CNC(=O)Nc1ccc(C(N)=O)nc1)c1ccco1 ZINC000163904954 664361842 /nfs/dbraw/zinc/36/18/42/664361842.db2.gz SREJWZWTJSCTIU-CQSZACIVSA-N 0 0 304.306 0.803 10 0 DCAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2(CO)CC2)c1 ZINC000164246938 664369912 /nfs/dbraw/zinc/36/99/12/664369912.db2.gz ANKOMUFDFYXEMP-UHFFFAOYSA-N 0 0 319.766 0.930 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)OCC(F)(F)F ZINC000733964646 666832941 /nfs/dbraw/zinc/83/29/41/666832941.db2.gz RYVJKGYTDHUMDR-LJQANCHMSA-N 0 0 304.290 0.160 10 0 DCAERN Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)nc[nH]c1=O ZINC000222951315 664396608 /nfs/dbraw/zinc/39/66/08/664396608.db2.gz QUQVTELEILMEQL-UHFFFAOYSA-N 0 0 301.302 0.666 10 0 DCAERN Cc1nc(N[C@@H]2CCS(=O)(=O)C2)c2c(n1)N[C@H](C)C(=O)N2 ZINC000224020570 664428739 /nfs/dbraw/zinc/42/87/39/664428739.db2.gz GCCYLPXTXGAWPW-HTRCEHHLSA-N 0 0 311.367 0.137 10 0 DCAERN CCn1cc(Cl)cc1C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000167941652 664512992 /nfs/dbraw/zinc/51/29/92/664512992.db2.gz JGRYIAMPEOYGGW-CYBMUJFWSA-N 0 0 310.741 0.586 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C=O)[nH]2)cc1 ZINC000170231811 664574373 /nfs/dbraw/zinc/57/43/73/664574373.db2.gz OAFMFNDFHTVYJN-UHFFFAOYSA-N 0 0 307.331 0.405 10 0 DCAERN O=C1c2ccccc2N(CN2CCN(c3cccnn3)CC2)C1=O ZINC000170638927 664583797 /nfs/dbraw/zinc/58/37/97/664583797.db2.gz ZPLYWNWKEPCAHQ-UHFFFAOYSA-N 0 0 323.356 0.786 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000171266656 664606423 /nfs/dbraw/zinc/60/64/23/664606423.db2.gz PCTYKWIUZSFHRO-OLZOCXBDSA-N 0 0 312.366 0.897 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCc2ccccc21 ZINC000171286090 664606837 /nfs/dbraw/zinc/60/68/37/664606837.db2.gz OANSMECQORRHMF-UKRRQHHQSA-N 0 0 303.406 0.884 10 0 DCAERN CCOCCN1CCN(CC(=O)N2CCO[C@H](C)C2)C[C@@H]1C ZINC000171571460 664610304 /nfs/dbraw/zinc/61/03/04/664610304.db2.gz JHNCKMVZEWORIG-LSDHHAIUSA-N 0 0 313.442 0.276 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)OCC(=O)N(C)CC1CC1 ZINC000730306108 664681743 /nfs/dbraw/zinc/68/17/43/664681743.db2.gz SPIQSRSRCNKRGL-NSHDSACASA-N 0 0 300.380 0.319 10 0 DCAERN COC(=O)[C@@H](O)CNS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000312200300 664687158 /nfs/dbraw/zinc/68/71/58/664687158.db2.gz QYWWHWGSCIIRHV-ZADCQDASSA-N 0 0 319.766 0.764 10 0 DCAERN CN(C)S(=O)(=O)C[C@H](N[C@@H]1COCC1(C)C)C(F)(F)F ZINC000313037294 664737826 /nfs/dbraw/zinc/73/78/26/664737826.db2.gz YIRQUQBESBZRQF-BDAKNGLRSA-N 0 0 318.361 0.823 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000152280187 664743914 /nfs/dbraw/zinc/74/39/14/664743914.db2.gz HZZXBQKYOHCMIV-GFCCVEGCSA-N 0 0 318.439 0.527 10 0 DCAERN Cc1nc(C(=O)NCC(=O)OCc2ccccc2)c(=O)[nH]c1C ZINC000153152353 664794344 /nfs/dbraw/zinc/79/43/44/664794344.db2.gz QNLUXBPSDUFNDR-UHFFFAOYSA-N 0 0 315.329 0.860 10 0 DCAERN O=C(Cn1ncc2ccccc21)OCC(=O)N1CCCC1=O ZINC000730638999 664798945 /nfs/dbraw/zinc/79/89/45/664798945.db2.gz YDAXFFZSPLGXTL-UHFFFAOYSA-N 0 0 301.302 0.729 10 0 DCAERN CCCCCCOCC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000730841613 664820045 /nfs/dbraw/zinc/82/00/45/664820045.db2.gz IABLLTMEVRJVRO-UHFFFAOYSA-N 0 0 313.442 0.864 10 0 DCAERN C[C@@H]1Oc2ccc(C(=O)COC(=O)[C@H](O)C3CC3)cc2NC1=O ZINC000730876964 664824019 /nfs/dbraw/zinc/82/40/19/664824019.db2.gz BVJZWZSDPUHKNT-RMLUDKJBSA-N 0 0 319.313 0.903 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(CC(=O)NC)cc1 ZINC000741417556 664834105 /nfs/dbraw/zinc/83/41/05/664834105.db2.gz KNNLVTQMFIRXNC-NRFANRHFSA-N 0 0 311.407 0.865 10 0 DCAERN COCCN(C(=O)C1=COCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000731197291 664843240 /nfs/dbraw/zinc/84/32/40/664843240.db2.gz RSVQFDNVORNNKM-GFCCVEGCSA-N 0 0 303.380 0.343 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C[C@H](O)COC[C@H]1CCCO1 ZINC000255559309 664955487 /nfs/dbraw/zinc/95/54/87/664955487.db2.gz RFGXGABZLODUMC-QWHCGFSZSA-N 0 0 302.415 0.389 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)c1ccccc1F ZINC000175542880 665328777 /nfs/dbraw/zinc/32/87/77/665328777.db2.gz LUVCLMIYMBXBOZ-QWHCGFSZSA-N 0 0 312.366 0.897 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC000357294817 666150572 /nfs/dbraw/zinc/15/05/72/666150572.db2.gz AYMGRHJJQFODMT-OLZOCXBDSA-N 0 0 313.423 0.283 10 0 DCAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(F)F ZINC000132169173 666250213 /nfs/dbraw/zinc/25/02/13/666250213.db2.gz DJKUFOGIKFGXRE-ZETCQYMHSA-N 0 0 318.301 0.922 10 0 DCAERN Cc1ccn(CN2CCS(=O)(=O)C(C)(C)C2)c(=O)c1C#N ZINC000184753186 666269924 /nfs/dbraw/zinc/26/99/24/666269924.db2.gz PJFQSACOMVKGLE-UHFFFAOYSA-N 0 0 309.391 0.495 10 0 DCAERN CCC1(CC)CN(C(=O)C2=NN(C)C(=O)CC2)CC[S@]1=O ZINC000186707056 666581758 /nfs/dbraw/zinc/58/17/58/666581758.db2.gz JZJDFYNPOZCWKS-OAQYLSRUSA-N 0 0 313.423 0.744 10 0 DCAERN Cc1nc([C@H]2CCCN2CN2C(=O)C(=O)N(C)C2=O)cs1 ZINC000186856419 666601677 /nfs/dbraw/zinc/60/16/77/666601677.db2.gz ZOZRZHVRYPHFBN-SNVBAGLBSA-N 0 0 308.363 0.967 10 0 DCAERN C#C[C@H](C)NC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000186124801 666689460 /nfs/dbraw/zinc/68/94/60/666689460.db2.gz LNWVOHQEJMSRMA-UONOGXRCSA-N 0 0 320.437 0.783 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cc(OC)ccc1OC ZINC000733900159 666824876 /nfs/dbraw/zinc/82/48/76/666824876.db2.gz VCKKPTGFRBTYAI-LJQANCHMSA-N 0 0 321.420 0.751 10 0 DCAERN CC[S@](=O)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000734513453 666884530 /nfs/dbraw/zinc/88/45/30/666884530.db2.gz YWKUHDZXOFSNMV-IBGZPJMESA-N 0 0 319.408 0.224 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCNC(=O)OC(C)(C)C ZINC000735096024 666951571 /nfs/dbraw/zinc/95/15/71/666951571.db2.gz MJZYWBCRZMAVOV-FQEVSTJZSA-N 0 0 307.416 0.579 10 0 DCAERN CCCC(=O)NC1CCN(C(=O)NCC[S@@](=O)CC)CC1 ZINC000735114572 666955555 /nfs/dbraw/zinc/95/55/55/666955555.db2.gz YKQZDHGWQIQHNX-NRFANRHFSA-N 0 0 317.455 0.845 10 0 DCAERN CO[C@@](C)(CO)CNC(=O)c1cccc(Br)n1 ZINC000702517254 666964046 /nfs/dbraw/zinc/96/40/46/666964046.db2.gz JQLPZJFNMYHFKA-LLVKDONJSA-N 0 0 303.156 0.971 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000735196482 666965692 /nfs/dbraw/zinc/96/56/92/666965692.db2.gz JRQWIFMAYDDENH-OAQYLSRUSA-N 0 0 310.375 0.445 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000735198341 666966407 /nfs/dbraw/zinc/96/64/07/666966407.db2.gz HHCKVYXNWZNWBH-NRFANRHFSA-N 0 0 308.403 0.999 10 0 DCAERN CCOc1ccccc1NC(=O)C(=O)NCC[S@](=O)CC ZINC000735197591 666966433 /nfs/dbraw/zinc/96/64/33/666966433.db2.gz DMMSEXMDAPEPBB-OAQYLSRUSA-N 0 0 312.391 0.909 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1c(F)cccc1F ZINC000735201958 666968748 /nfs/dbraw/zinc/96/87/48/666968748.db2.gz SDVBMDKOFUAGJZ-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccon2)[C@H](O)C1 ZINC000702813689 666998880 /nfs/dbraw/zinc/99/88/80/666998880.db2.gz IMWMWJRPOUBLOE-MWLCHTKSSA-N 0 0 311.338 0.632 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C(C)(F)F)C1 ZINC000702811845 666999086 /nfs/dbraw/zinc/99/90/86/666999086.db2.gz IASCJVXQXIABKG-DTWKUNHWSA-N 0 0 308.325 0.986 10 0 DCAERN CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702815828 666999122 /nfs/dbraw/zinc/99/91/22/666999122.db2.gz UJNXENSVSWFUQW-MXWKQRLJSA-N 0 0 302.371 0.365 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccon2)C1 ZINC000702813682 666999144 /nfs/dbraw/zinc/99/91/44/666999144.db2.gz IMWMWJRPOUBLOE-GXSJLCMTSA-N 0 0 311.338 0.632 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)COc2cccnc2)cn1 ZINC000862925693 667093585 /nfs/dbraw/zinc/09/35/85/667093585.db2.gz POJMEHBULKEFAS-UONOGXRCSA-N 0 0 318.333 0.157 10 0 DCAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCCNC(N)=O)cc1 ZINC000736109705 667103172 /nfs/dbraw/zinc/10/31/72/667103172.db2.gz VPHBZEHCEJFFFU-LBPRGKRZSA-N 0 0 321.377 0.760 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000120645596 667335133 /nfs/dbraw/zinc/33/51/33/667335133.db2.gz HJKZDNYFHNDVMH-IUCAKERBSA-N 0 0 324.768 0.834 10 0 DCAERN O=C1CCC(S(=O)(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000708185436 667442163 /nfs/dbraw/zinc/44/21/63/667442163.db2.gz BMNWDCOZXCZHJV-JTQLQIEISA-N 0 0 307.437 0.628 10 0 DCAERN CN(CC(=O)N1CCCC1)S(=O)(=O)C1CCC(=O)CC1 ZINC000708221618 667442293 /nfs/dbraw/zinc/44/22/93/667442293.db2.gz QCQAFIQXWASABM-UHFFFAOYSA-N 0 0 302.396 0.382 10 0 DCAERN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)CCO1 ZINC000709073949 667444010 /nfs/dbraw/zinc/44/40/10/667444010.db2.gz PDKSISGTJYKJFJ-JTQLQIEISA-N 0 0 300.384 0.494 10 0 DCAERN COc1ccc(/C(C)=C\C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 ZINC000886031212 667726045 /nfs/dbraw/zinc/72/60/45/667726045.db2.gz HZHQGCUJMOLPBE-LUJNMSEFSA-N 0 0 318.373 0.937 10 0 DCAERN COc1cccnc1CNC(=O)CN1CCCC[C@H](OC)C1=O ZINC000886078111 667729226 /nfs/dbraw/zinc/72/92/26/667729226.db2.gz MLKBYDUVYZUAMG-AWEZNQCLSA-N 0 0 321.377 0.734 10 0 DCAERN O[C@H](CN1CC(OCc2nc(C3CC3)no2)C1)Cn1cccn1 ZINC000886079053 667729421 /nfs/dbraw/zinc/72/94/21/667729421.db2.gz CLMSCNLYZCRMPQ-GFCCVEGCSA-N 0 0 319.365 0.405 10 0 DCAERN Cc1c([C@H]2CN(C(=O)Cc3ccco3)C[C@@H]2C(N)=O)cnn1C ZINC000886085511 667729991 /nfs/dbraw/zinc/72/99/91/667729991.db2.gz ISZHZKFEJDZXNC-KGLIPLIRSA-N 0 0 316.361 0.592 10 0 DCAERN CO[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1c1cn(C)nn1 ZINC000886084880 667730179 /nfs/dbraw/zinc/73/01/79/667730179.db2.gz MVYNKUMMAHROOT-IINYFYTJSA-N 0 0 316.365 0.670 10 0 DCAERN CCn1ccnc(NC(=O)N2CCC[C@@H](n3ccnn3)C2)c1=O ZINC000886093930 667731419 /nfs/dbraw/zinc/73/14/19/667731419.db2.gz KMHUAXBSGAOKTG-LLVKDONJSA-N 0 0 317.353 0.724 10 0 DCAERN Cc1noc(C[C@]2(O)CCCN(C(=O)Cn3cccn3)C2)n1 ZINC000886096314 667731638 /nfs/dbraw/zinc/73/16/38/667731638.db2.gz ALLPKKXQTJNUHT-CQSZACIVSA-N 0 0 305.338 0.171 10 0 DCAERN COc1ccc(Br)cc1C(=O)NC[C@H](O)[C@@H](C)O ZINC000717414533 667790045 /nfs/dbraw/zinc/79/00/45/667790045.db2.gz VFYSTBGNDACOFN-XCBNKYQSSA-N 0 0 318.167 0.929 10 0 DCAERN Cn1ncc2cc(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)cnc21 ZINC000887011762 667836007 /nfs/dbraw/zinc/83/60/07/667836007.db2.gz AEGIRUOXISJLHK-CHWSQXEVSA-N 0 0 316.361 0.628 10 0 DCAERN CN1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000037555194 667869776 /nfs/dbraw/zinc/86/97/76/667869776.db2.gz HGFYUBOMDYJNOW-UHFFFAOYSA-N 0 0 314.798 0.924 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCN2)N1Cc1ccccc1 ZINC000826846881 668138548 /nfs/dbraw/zinc/13/85/48/668138548.db2.gz CMAAELAZTUUOFM-LSDHHAIUSA-N 0 0 316.405 0.632 10 0 DCAERN CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000008181342 668157233 /nfs/dbraw/zinc/15/72/33/668157233.db2.gz JLJXEOSACKEQLH-GFCCVEGCSA-N 0 0 322.321 0.517 10 0 DCAERN CCOC(=O)CN1CCC[C@H](OC(=O)CCc2ccnn2C)C1 ZINC000126309403 668554990 /nfs/dbraw/zinc/55/49/90/668554990.db2.gz ROPMSQGOMGKDDZ-AWEZNQCLSA-N 0 0 323.393 0.923 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1cccc(Cl)c1 ZINC000126489937 668612995 /nfs/dbraw/zinc/61/29/95/668612995.db2.gz KJALUTQHVAJSCQ-LBPRGKRZSA-N 0 0 316.810 0.733 10 0 DCAERN CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126534574 668621781 /nfs/dbraw/zinc/62/17/81/668621781.db2.gz ZNJDRIBOBWTDRW-JHJVBQTASA-N 0 0 302.440 0.848 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000126710933 668646910 /nfs/dbraw/zinc/64/69/10/668646910.db2.gz RFWTZEUPVLCFIY-MGPQQGTHSA-N 0 0 308.403 0.435 10 0 DCAERN C[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000929384411 668681545 /nfs/dbraw/zinc/68/15/45/668681545.db2.gz YHBVOEHOGJNLOW-MWLCHTKSSA-N 0 0 318.329 0.688 10 0 DCAERN O=C(CCCNC(=O)C1CC1)OCCN1CCSCC1 ZINC000127381655 668942463 /nfs/dbraw/zinc/94/24/63/668942463.db2.gz OGIMMNHPRSZCFM-UHFFFAOYSA-N 0 0 300.424 0.885 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000127418561 668952350 /nfs/dbraw/zinc/95/23/50/668952350.db2.gz SWCDICLXHRUYMI-CYBMUJFWSA-N 0 0 305.309 0.727 10 0 DCAERN CNC(=O)c1nc(C2CCN([C@H](C)c3ncccn3)CC2)n[nH]1 ZINC000930770837 669078015 /nfs/dbraw/zinc/07/80/15/669078015.db2.gz KVAIFLDDEBNAMY-SNVBAGLBSA-N 0 0 315.381 0.895 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CC[C@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115091 669136374 /nfs/dbraw/zinc/13/63/74/669136374.db2.gz NYLPHICKPHIZSF-OCCSQVGLSA-N 0 0 319.409 0.650 10 0 DCAERN COCCN(CC(F)(F)F)C(=O)[C@@H]1CSCN1C(C)=O ZINC000132909840 669756073 /nfs/dbraw/zinc/75/60/73/669756073.db2.gz FZPMLKRZGXNLIU-VIFPVBQESA-N 0 0 314.329 0.945 10 0 DCAERN Cc1nc(C(=O)NCC2N=NC(=S)N2C(C)C)c(=O)[nH]c1C ZINC000155759932 669834491 /nfs/dbraw/zinc/83/44/91/669834491.db2.gz DVXHKALDTRWESH-UHFFFAOYSA-N 0 0 322.394 0.778 10 0 DCAERN NC(=O)Cn1cc(NS(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000047251576 669926398 /nfs/dbraw/zinc/92/63/98/669926398.db2.gz UGPBBZXYWBHAJS-VOTSOKGWSA-N 0 0 306.347 0.781 10 0 DCAERN C#CCN(CC(=O)N[C@@H](C)C1CC1)CC(=O)N[C@@H](C)C1CC1 ZINC000047550493 669929325 /nfs/dbraw/zinc/92/93/25/669929325.db2.gz PCFNFPRUOIUQMT-STQMWFEESA-N 0 0 305.422 0.751 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000158861054 669929865 /nfs/dbraw/zinc/92/98/65/669929865.db2.gz QBLSAZXEDPNHES-RTXFEEFZSA-N 0 0 310.350 0.455 10 0 DCAERN CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000159147521 669934163 /nfs/dbraw/zinc/93/41/63/669934163.db2.gz VWVQHQUCKNIEIV-NSHDSACASA-N 0 0 304.412 0.991 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000159581374 669939541 /nfs/dbraw/zinc/93/95/41/669939541.db2.gz XKRFPTNQJYQIHZ-LLVKDONJSA-N 0 0 324.468 0.472 10 0 DCAERN CN1C(=S)N=NC1CCNC(=O)c1cn2ccnc2s1 ZINC000188446273 670011415 /nfs/dbraw/zinc/01/14/15/670011415.db2.gz CLRRQBKQRFPVRO-UHFFFAOYSA-N 0 0 308.392 0.786 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccc(Br)cc2N)C[C@H]1O ZINC000395980893 1157952994 /nfs/dbraw/zinc/95/29/94/1157952994.db2.gz DXEZVYNNIRMTQH-GHMZBOCLSA-N 0 0 315.167 0.863 10 0 DCAERN C[C@@H]1CN(CN2C[C@H](CC(C)(C)C)CC2=O)C[C@@H](C(N)=O)O1 ZINC000189171858 670095411 /nfs/dbraw/zinc/09/54/11/670095411.db2.gz ILIQSIPNDYNVIT-AGIUHOORSA-N 0 0 311.426 0.803 10 0 DCAERN C#CCCN1CCN(C(=O)[C@@H]2CSCN2C(=O)CC)CC1 ZINC000076206353 670109331 /nfs/dbraw/zinc/10/93/31/670109331.db2.gz ZJIVJAUWDZHCHE-ZDUSSCGKSA-N 0 0 309.435 0.465 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)N2CCO[C@H](C)C2)C1 ZINC000189329910 670112119 /nfs/dbraw/zinc/11/21/19/670112119.db2.gz HGIWALMXNOFLQD-KGYLQXTDSA-N 0 0 324.381 0.387 10 0 DCAERN CN(Cc1cn(C)nc1Br)[C@H]1C[C@@H](C(N)=O)C1 ZINC000713818098 670170278 /nfs/dbraw/zinc/17/02/78/670170278.db2.gz RKGBDYPFLHPYBQ-OTSSQURYSA-N 0 0 301.188 0.878 10 0 DCAERN C[C@H]1CN(Cc2cn(C)nc2Br)S(=O)(=O)C1 ZINC000713858134 670171142 /nfs/dbraw/zinc/17/11/42/670171142.db2.gz CSABKNSIVNDHTI-ZETCQYMHSA-N 0 0 308.201 0.964 10 0 DCAERN NS(=O)(=O)C1(CNc2nnc(C(F)(F)F)s2)CC1 ZINC000713986396 670173441 /nfs/dbraw/zinc/17/34/41/670173441.db2.gz FUFWZDOVTHDPLD-UHFFFAOYSA-N 0 0 302.303 0.790 10 0 DCAERN C[C@H]1CO[C@@H](CO)CN1Cc1cn(C)nc1Br ZINC000714076986 670175328 /nfs/dbraw/zinc/17/53/28/670175328.db2.gz XWOXPWYEBLDUMP-WCBMZHEXSA-N 0 0 304.188 0.764 10 0 DCAERN CCN1CN(C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)CC1=O ZINC000192675462 670185631 /nfs/dbraw/zinc/18/56/31/670185631.db2.gz PDDXMKADHKKKAJ-SNVBAGLBSA-N 0 0 304.354 0.211 10 0 DCAERN CC1(C)CN(C(=O)NCCCCCCO)CCS1(=O)=O ZINC000192713413 670185662 /nfs/dbraw/zinc/18/56/62/670185662.db2.gz BDPXPHSBEPKRJZ-UHFFFAOYSA-N 0 0 306.428 0.758 10 0 DCAERN Cn1ncc(NCC[C@H]2CCCS2(=O)=O)c(Cl)c1=O ZINC000714383993 670186457 /nfs/dbraw/zinc/18/64/57/670186457.db2.gz XLYZNBFNSZOWLB-MRVPVSSYSA-N 0 0 305.787 0.813 10 0 DCAERN CS(=O)(=O)CC(=O)NCc1ncc(Br)s1 ZINC000714639312 670192303 /nfs/dbraw/zinc/19/23/03/670192303.db2.gz WFIOGLSERLSJGD-UHFFFAOYSA-N 0 0 313.198 0.566 10 0 DCAERN Cn1ncc(C(=O)NCc2ncc(Br)s2)n1 ZINC000714648628 670192356 /nfs/dbraw/zinc/19/23/56/670192356.db2.gz RSUMZEFGHSXJPH-UHFFFAOYSA-N 0 0 302.157 0.964 10 0 DCAERN O=C(Cn1cnnn1)NCc1ncc(Br)s1 ZINC000714647948 670192616 /nfs/dbraw/zinc/19/26/16/670192616.db2.gz QOWOMTUVCSRROM-UHFFFAOYSA-N 0 0 303.145 0.209 10 0 DCAERN COCC(COC)S(=O)(=O)N[C@@H]1CCCCC12OCCO2 ZINC000716018490 670226783 /nfs/dbraw/zinc/22/67/83/670226783.db2.gz XKGASNKFYJGGBX-GFCCVEGCSA-N 0 0 323.411 0.253 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000194613955 670444295 /nfs/dbraw/zinc/44/42/95/670444295.db2.gz SXUKHEJAVOEHOL-ZDUSSCGKSA-N 0 0 301.350 0.328 10 0 DCAERN Cn1ncc2c1nc(N1CCC[C@H](C3OCCO3)C1)nc2N ZINC000195255518 670477333 /nfs/dbraw/zinc/47/73/33/670477333.db2.gz CYBJFOVOHUSNAF-VIFPVBQESA-N 0 0 304.354 0.535 10 0 DCAERN CS(=O)(=O)CCCOC(=O)c1cccc(-n2cncn2)c1 ZINC000115736050 670964448 /nfs/dbraw/zinc/96/44/48/670964448.db2.gz DOXWHNZEGLEPMH-UHFFFAOYSA-N 0 0 309.347 0.859 10 0 DCAERN CCCCCCOCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116832794 671125920 /nfs/dbraw/zinc/12/59/20/671125920.db2.gz WBALJYIFUXPREQ-GFCCVEGCSA-N 0 0 306.428 0.733 10 0 DCAERN NS(=O)(=O)CCCCNC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000716940317 671747062 /nfs/dbraw/zinc/74/70/62/671747062.db2.gz INPGZABDOZVHLO-NSHDSACASA-N 0 0 304.412 0.663 10 0 DCAERN CN(CCS(C)(=O)=O)Cc1nnc(-c2ccccc2)n1C ZINC000102771279 671856509 /nfs/dbraw/zinc/85/65/09/671856509.db2.gz NYGYDPIPABDAAZ-UHFFFAOYSA-N 0 0 308.407 0.959 10 0 DCAERN Cn1cc(CNCc2cnc(Cl)s2)c(=O)n(C)c1=O ZINC000718199991 685304672 /nfs/dbraw/zinc/30/46/72/685304672.db2.gz JKFUGRDKGVDSHJ-UHFFFAOYSA-N 0 0 300.771 0.484 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1Cl ZINC000720845323 685315483 /nfs/dbraw/zinc/31/54/83/685315483.db2.gz QMVWRFLOAVCUII-ZJUUUORDSA-N 0 0 318.830 0.931 10 0 DCAERN CO[C@@]1(CNS(=O)(=O)c2c(C)n[nH]c2C)CCSC1 ZINC000719221153 685309099 /nfs/dbraw/zinc/30/90/99/685309099.db2.gz LFHIWMBMDKGMBW-LLVKDONJSA-N 0 0 305.425 0.827 10 0 DCAERN CNC(=O)CN(CC(=O)NC)Cc1ccc(Cl)nc1Cl ZINC000720595213 685314295 /nfs/dbraw/zinc/31/42/95/685314295.db2.gz XMPHKEOEGHTTNG-UHFFFAOYSA-N 0 0 319.192 0.682 10 0 DCAERN C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cn(C)nn1 ZINC000720547110 685314410 /nfs/dbraw/zinc/31/44/10/685314410.db2.gz IZFBUFNGLTYHEU-ZETCQYMHSA-N 0 0 301.759 0.903 10 0 DCAERN Cn1cc(CNC(=O)[C@@H]2CCC(=O)N2)c(Br)n1 ZINC000720666623 685314943 /nfs/dbraw/zinc/31/49/43/685314943.db2.gz BBOXXMAOCVJUNY-ZETCQYMHSA-N 0 0 301.144 0.077 10 0 DCAERN CCOC1CC2(C[C@H]2NS(=O)(=O)CCCC(=O)OC)C1 ZINC000721190154 685318064 /nfs/dbraw/zinc/31/80/64/685318064.db2.gz XDPOVRBWGHOJPY-QWKFWESOSA-N 0 0 305.396 0.817 10 0 DCAERN CCc1ncnc(NCC[C@H]2CNCCS2(=O)=O)c1F ZINC000721809097 685318946 /nfs/dbraw/zinc/31/89/46/685318946.db2.gz WSQUHTLWWYWJKP-VIFPVBQESA-N 0 0 302.375 0.367 10 0 DCAERN NC(=O)CONC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000089462074 685099440 /nfs/dbraw/zinc/09/94/40/685099440.db2.gz MVQFTMBQVLYDMD-UHFFFAOYSA-N 0 0 302.290 0.761 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(Cl)nc(Cl)c1 ZINC000090014889 685101828 /nfs/dbraw/zinc/10/18/28/685101828.db2.gz BEBPSFRBKHDCCG-LURJTMIESA-N 0 0 302.117 0.923 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCO[C@@H](c3nccs3)C2)CCO1 ZINC000249874836 685184473 /nfs/dbraw/zinc/18/44/73/685184473.db2.gz LKOQCZCNVDHYPF-VXGBXAGGSA-N 0 0 311.407 0.764 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ncccc1Br ZINC000385716323 685247422 /nfs/dbraw/zinc/24/74/22/685247422.db2.gz LYPVGSDBNKVXDI-KWQFWETISA-N 0 0 315.167 0.952 10 0 DCAERN O=C(c1cc(Br)c[nH]1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388048052 1157938471 /nfs/dbraw/zinc/93/84/71/1157938471.db2.gz VVLWPPYFUSIDJQ-KNVOCYPGSA-N 0 0 312.123 0.122 10 0 DCAERN COCCCCN(C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000397101411 1158083539 /nfs/dbraw/zinc/08/35/39/1158083539.db2.gz DJSPEHPEXXWLTH-UHFFFAOYSA-N 0 0 300.380 0.833 10 0 DCAERN O=C1C[C@H](CNS(=O)(=O)c2cnc(Cl)c(F)c2)CN1 ZINC000398414838 1158118642 /nfs/dbraw/zinc/11/86/42/1158118642.db2.gz VOGTZEHAENZXPA-LURJTMIESA-N 0 0 307.734 0.289 10 0 DCAERN COCC(=O)NCC1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000043991809 1171558485 /nfs/dbraw/zinc/55/84/85/1171558485.db2.gz QAQHJYOIPGEVOB-UHFFFAOYSA-N 0 0 321.377 0.000 10 0 DCAERN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1C(=O)CNC1=O ZINC000060397927 1172022092 /nfs/dbraw/zinc/02/20/92/1172022092.db2.gz KCHPAYLLZXFSNZ-UHFFFAOYSA-N 0 0 317.345 0.762 10 0 DCAERN CC(=O)NCC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000066479772 1173760664 /nfs/dbraw/zinc/76/06/64/1173760664.db2.gz GMHLZEGXZOIGCA-UHFFFAOYSA-N 0 0 307.350 0.445 10 0 DCAERN O=C(NCCc1ccc2c(c1)OCCCO2)[C@@H]1CCC(=O)N1 ZINC000075015114 1173928654 /nfs/dbraw/zinc/92/86/54/1173928654.db2.gz DLEIHVCCHYDROQ-LBPRGKRZSA-N 0 0 304.346 0.785 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1csc(-c2ccco2)n1 ZINC000089754346 1175344122 /nfs/dbraw/zinc/34/41/22/1175344122.db2.gz ZKJNFJHIEVGDQJ-SSDOTTSWSA-N 0 0 305.315 0.938 10 0 DCAERN CC(CO)(CO)NC(=O)c1cc(Br)ccc1N ZINC000125993255 1177207622 /nfs/dbraw/zinc/20/76/22/1177207622.db2.gz VNDPFCFYQJFAKA-UHFFFAOYSA-N 0 0 303.156 0.504 10 0 DCAERN Cc1nccn1CCCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC000130462006 1177449925 /nfs/dbraw/zinc/44/99/25/1177449925.db2.gz NSITVLAHLAKBOU-NSHDSACASA-N 0 0 307.354 0.076 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCOc1ccc(Cl)cn1 ZINC000153650876 1180549051 /nfs/dbraw/zinc/54/90/51/1180549051.db2.gz ZIOJXPWBIGUNFX-NSHDSACASA-N 0 0 314.773 0.923 10 0 DCAERN COCC(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000169843040 1183609686 /nfs/dbraw/zinc/60/96/86/1183609686.db2.gz NSCSDLNARPJNGE-UHFFFAOYSA-N 0 0 310.350 0.125 10 0 DCAERN COCCOCC(=O)N1CCC(NC(=O)CC(C)C)CC1 ZINC000169855017 1183613618 /nfs/dbraw/zinc/61/36/18/1183613618.db2.gz FEUMVESWQVVKNU-UHFFFAOYSA-N 0 0 300.399 0.803 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCN(CC(=O)Nc2ccncc2)C1 ZINC000171053090 1183709363 /nfs/dbraw/zinc/70/93/63/1183709363.db2.gz KKZKODUGJKIVLT-LBPRGKRZSA-N 0 0 312.395 0.034 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000172041685 1183799336 /nfs/dbraw/zinc/79/93/36/1183799336.db2.gz OYGUERFBYUIONH-AWEZNQCLSA-N 0 0 305.378 0.973 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@](C)(O)c1cccs1 ZINC000176989848 1184224851 /nfs/dbraw/zinc/22/48/51/1184224851.db2.gz VBZAYFVMJIJUJN-LBPRGKRZSA-N 0 0 320.436 0.353 10 0 DCAERN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc21 ZINC000177806934 1184297356 /nfs/dbraw/zinc/29/73/56/1184297356.db2.gz SSKVHGNKAGGOMA-MNOVXSKESA-N 0 0 301.350 0.592 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Cn2nnc3ccccc32)C1 ZINC000177960160 1184333792 /nfs/dbraw/zinc/33/37/92/1184333792.db2.gz MCMKOTYOTTVGLJ-NSHDSACASA-N 0 0 316.365 0.351 10 0 DCAERN Cn1cnn(CC(=O)NCc2ccnc(OCC3CC3)c2)c1=O ZINC000179489377 1185165030 /nfs/dbraw/zinc/16/50/30/1185165030.db2.gz RTSQBOQCEUXKJN-UHFFFAOYSA-N 0 0 317.349 0.082 10 0 DCAERN CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000186361320 1187373697 /nfs/dbraw/zinc/37/36/97/1187373697.db2.gz ZWGDLJNAPZUQME-LBPRGKRZSA-N 0 0 315.333 0.011 10 0 DCAERN CC(=O)C[C@H]1COCCN1C(=O)Cn1nnc2ccccc21 ZINC000186755521 1187415954 /nfs/dbraw/zinc/41/59/54/1187415954.db2.gz RTBVCWOOYFYGNG-LBPRGKRZSA-N 0 0 302.334 0.638 10 0 DCAERN Cc1noc([C@H](NC(=O)N2CCN(C)C(=O)[C@H]2C)C(C)C)n1 ZINC000187087273 1187437272 /nfs/dbraw/zinc/43/72/72/1187437272.db2.gz WKAMIBVBDSPWIE-MWLCHTKSSA-N 0 0 309.370 0.947 10 0 DCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)c(F)cc1F ZINC000187183935 1187455914 /nfs/dbraw/zinc/45/59/14/1187455914.db2.gz KMKOTPXSLCRFJB-KBUNVGBDSA-N 0 0 303.236 0.852 10 0 DCAERN O=C(CCc1c[nH]cn1)NCCNC(=O)c1ccccc1O ZINC000189219309 1187877955 /nfs/dbraw/zinc/87/79/55/1187877955.db2.gz MWJWOURYGZVEGT-UHFFFAOYSA-N 0 0 302.334 0.594 10 0 DCAERN CC(C)[C@H](NC(N)=O)C(=O)NCCNC(=O)c1ccccc1F ZINC000193689806 1188083555 /nfs/dbraw/zinc/08/35/55/1188083555.db2.gz GDHCMRRGZLRTKD-LBPRGKRZSA-N 0 0 324.356 0.365 10 0 DCAERN CC(C)(CO)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307886396 1190384660 /nfs/dbraw/zinc/38/46/60/1190384660.db2.gz AUOMBVXNQXQHAQ-UHFFFAOYSA-N 0 0 300.380 0.421 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1c1nc(N)nc(C(F)(F)F)n1 ZINC000312781111 1190394867 /nfs/dbraw/zinc/39/48/67/1190394867.db2.gz FVWQAHQWQUNJTN-RXMQYKEDSA-N 0 0 311.289 0.096 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000316550925 1190415089 /nfs/dbraw/zinc/41/50/89/1190415089.db2.gz RPFJFNGGNYYZHX-RDDDGLTNSA-N 0 0 315.167 0.457 10 0 DCAERN CN1C[C@@H](NC(=O)c2ccc(Br)cc2N)C(=O)N1 ZINC000393899077 1190702199 /nfs/dbraw/zinc/70/21/99/1190702199.db2.gz FGNWVDJRELALLX-SECBINFHSA-N 0 0 313.155 0.106 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCCNC(=O)[C@@H]2C)c1 ZINC000588564903 747444812 /nfs/dbraw/zinc/44/48/12/747444812.db2.gz OMKVJLMDGNDTEZ-WYGGZMRJSA-N 0 0 316.361 0.191 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)C(=O)N1CCCCC1 ZINC000182361081 758812949 /nfs/dbraw/zinc/81/29/49/758812949.db2.gz PFMSAEMNZPLQJF-LBPRGKRZSA-N 0 0 308.386 0.368 10 0 DCAERN CN(CC(=O)N1CCC[C@@H](c2ccn(C)n2)C1)S(C)(=O)=O ZINC000585389043 768080999 /nfs/dbraw/zinc/08/09/99/768080999.db2.gz NPPZBHLDDNJQEB-LLVKDONJSA-N 0 0 314.411 0.018 10 0 DCAERN CN(CC(=O)N1CCC[C@H](c2ccn(C)n2)C1)S(C)(=O)=O ZINC000585389044 768081275 /nfs/dbraw/zinc/08/12/75/768081275.db2.gz NPPZBHLDDNJQEB-NSHDSACASA-N 0 0 314.411 0.018 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@@H]1CC[C@H](O)C1 ZINC000191152551 764747731 /nfs/dbraw/zinc/74/77/31/764747731.db2.gz QFSQLUJQHBLOTD-NEPJUHHUSA-N 0 0 304.350 0.163 10 0 DCAERN CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccnc1F ZINC000401830172 768656664 /nfs/dbraw/zinc/65/66/64/768656664.db2.gz MWEJYWKGHHWCRD-UHFFFAOYSA-N 0 0 303.359 0.804 10 0 DCAERN Cc1nccn1CCCCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000130468805 769094891 /nfs/dbraw/zinc/09/48/91/769094891.db2.gz ICMUBXGNKBCUJE-ZDUSSCGKSA-N 0 0 313.423 0.913 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000246605934 771663838 /nfs/dbraw/zinc/66/38/38/771663838.db2.gz KQYOHKOPSLVEFG-UONOGXRCSA-N 0 0 307.398 0.388 10 0 DCAERN CC[C@@H](CO)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307918471 774141675 /nfs/dbraw/zinc/14/16/75/774141675.db2.gz VDEPQWSLTPWNJZ-VIFPVBQESA-N 0 0 300.380 0.515 10 0 DCAERN Cn1ncc(N)c1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720324492 944182158 /nfs/dbraw/zinc/18/21/58/944182158.db2.gz YSVBAHXIGZMAPU-UHFFFAOYSA-N 0 0 302.203 0.904 10 0 DCAERN COC(OC)[C@H](C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000701198435 949750523 /nfs/dbraw/zinc/75/05/23/949750523.db2.gz AIMQCFPESSSHJV-IUCAKERBSA-N 0 0 311.425 0.030 10 0 DCAERN [NH3+]C1(CC(=O)NCCC(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000686809874 976116886 /nfs/dbraw/zinc/11/68/86/976116886.db2.gz ZQUYBZJDNCVDOL-UHFFFAOYSA-N 0 0 319.405 0.961 10 0 DCAERN C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000688506196 976180788 /nfs/dbraw/zinc/18/07/88/976180788.db2.gz APBAMDPXBPXIMK-MRVPVSSYSA-N 0 0 319.408 0.414 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000696718605 976821741 /nfs/dbraw/zinc/82/17/41/976821741.db2.gz HNIRJVBMKIKROW-LOWDOPEQSA-N 0 0 301.408 0.996 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC2(CC1)OCCO2 ZINC000076833167 185045971 /nfs/dbraw/zinc/04/59/71/185045971.db2.gz KCWFHSPWUVKPTK-UHFFFAOYSA-N 0 0 317.345 0.695 10 0 DCAERN CCOc1ccc(S(=O)(=O)NCCc2nc(C)no2)cn1 ZINC000181253746 199271555 /nfs/dbraw/zinc/27/15/55/199271555.db2.gz GSGMSONOWDOJCJ-UHFFFAOYSA-N 0 0 312.351 0.693 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000078899717 185125189 /nfs/dbraw/zinc/12/51/89/185125189.db2.gz RMWVGBGFYJVXSV-CHWSQXEVSA-N 0 0 307.398 0.762 10 0 DCAERN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1C[C@@H]1C ZINC000087899867 185236188 /nfs/dbraw/zinc/23/61/88/185236188.db2.gz UHFMTHGETBLDHR-JGVFFNPUSA-N 0 0 314.363 0.489 10 0 DCAERN Cc1nccn1-c1cncc(N2CCO[C@]3(CCOC3)C2)n1 ZINC000302212854 282199255 /nfs/dbraw/zinc/19/92/55/282199255.db2.gz FDSWILSILOXDSG-OAHLLOKOSA-N 0 0 301.350 0.966 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)c1cccc(OC)c1F ZINC000090499450 185299157 /nfs/dbraw/zinc/29/91/57/185299157.db2.gz LFJQWNMRZAATSC-UHFFFAOYSA-N 0 0 318.370 0.894 10 0 DCAERN CCc1nn(C)cc1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000092498332 185322661 /nfs/dbraw/zinc/32/26/61/185322661.db2.gz PAJPVKJKIYWOEX-CQSZACIVSA-N 0 0 322.409 0.596 10 0 DCAERN CCCCCS(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000181393317 199290185 /nfs/dbraw/zinc/29/01/85/199290185.db2.gz XRBLYRXXTHJWBX-UHFFFAOYSA-N 0 0 320.436 0.944 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCO[C@@H](CC)C1)CC2 ZINC000172038917 529750919 /nfs/dbraw/zinc/75/09/19/529750919.db2.gz JDTRLTBKSLEVDH-RYUDHWBXSA-N 0 0 307.398 0.976 10 0 DCAERN CN(CC(N)=O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000276169904 529852314 /nfs/dbraw/zinc/85/23/14/529852314.db2.gz BDEMEQBTELDDRP-AWEZNQCLSA-N 0 0 309.410 0.521 10 0 DCAERN CNC(=O)[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(C)C ZINC000178421957 529919265 /nfs/dbraw/zinc/91/92/65/529919265.db2.gz PLXDXBNFZUAPQB-CQSZACIVSA-N 0 0 319.409 0.684 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(C)C ZINC000178859318 529920518 /nfs/dbraw/zinc/92/05/18/529920518.db2.gz CUXXFRBFMUGJAM-CYBMUJFWSA-N 0 0 318.377 0.717 10 0 DCAERN CNC(=O)c1cccnc1N1CCC(C)(C)S(=O)(=O)CC1 ZINC000302803631 529951319 /nfs/dbraw/zinc/95/13/19/529951319.db2.gz DOHRBQMUNDOVAX-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/35/41/47/199354147.db2.gz GSABXHGMUCIDTG-AAEUAGOBSA-N 0 0 306.366 0.647 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CC(=O)N(C2CC2)C1 ZINC000279608866 215002126 /nfs/dbraw/zinc/00/21/26/215002126.db2.gz QNIMDFSTOXDSGH-DZGCQCFKSA-N 0 0 301.346 0.950 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000247650364 295798397 /nfs/dbraw/zinc/79/83/97/295798397.db2.gz WHQKHEXQHMTLTA-IJLUTSLNSA-N 0 0 318.381 0.046 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C ZINC000139298580 186021465 /nfs/dbraw/zinc/02/14/65/186021465.db2.gz TZTJXPMFNNGZGT-UWVGGRQHSA-N 0 0 318.370 0.186 10 0 DCAERN C[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)N1CCCCC1 ZINC000072250217 191087706 /nfs/dbraw/zinc/08/77/06/191087706.db2.gz XICVCMBAAUHWAV-NSHDSACASA-N 0 0 323.418 0.995 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171486499 186167170 /nfs/dbraw/zinc/16/71/70/186167170.db2.gz URMKNLBWLFAFQK-MWLCHTKSSA-N 0 0 300.384 0.021 10 0 DCAERN Cc1csc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000177893194 186200698 /nfs/dbraw/zinc/20/06/98/186200698.db2.gz CAONGBHSNQCRHX-JTQLQIEISA-N 0 0 323.296 0.916 10 0 DCAERN CCCc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000179686257 186205347 /nfs/dbraw/zinc/20/53/47/186205347.db2.gz IQQBCNFWHGFKJO-CYBMUJFWSA-N 0 0 312.391 0.514 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(F)cc1F ZINC000179686780 186205668 /nfs/dbraw/zinc/20/56/68/186205668.db2.gz CNOYSXAFLPAXKO-JTQLQIEISA-N 0 0 320.317 0.148 10 0 DCAERN CC(C)C(=O)NCCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171898235 198004363 /nfs/dbraw/zinc/00/43/63/198004363.db2.gz ZPEMTRJNFLPILD-ZDUSSCGKSA-N 0 0 323.397 0.066 10 0 DCAERN O=C(NC[C@H]1CCCOC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171903503 198005378 /nfs/dbraw/zinc/00/53/78/198005378.db2.gz SORWLTVLCVMWCQ-KGLIPLIRSA-N 0 0 308.382 0.720 10 0 DCAERN CN1CCCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1=O ZINC000191044393 282767161 /nfs/dbraw/zinc/76/71/61/282767161.db2.gz UOZOYTJLFMKTCC-UHFFFAOYSA-N 0 0 311.288 0.594 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)NCc2ccccc2F)C1 ZINC000172048846 198031510 /nfs/dbraw/zinc/03/15/10/198031510.db2.gz BTFMOIWCNOVOTA-NSHDSACASA-N 0 0 315.370 0.659 10 0 DCAERN C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172178539 198053063 /nfs/dbraw/zinc/05/30/63/198053063.db2.gz VCEDIMKHVLBRKN-QWHCGFSZSA-N 0 0 319.409 0.930 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2COc3ccccc3C2)CCC1=O ZINC000172391107 198089495 /nfs/dbraw/zinc/08/94/95/198089495.db2.gz OEGGGBCAUYVIAW-CHWSQXEVSA-N 0 0 303.362 0.910 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000172529234 198111003 /nfs/dbraw/zinc/11/10/03/198111003.db2.gz UIMCOQLLNRADHM-WDEREUQCSA-N 0 0 306.366 0.231 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000172921971 198168036 /nfs/dbraw/zinc/16/80/36/198168036.db2.gz OJOXOIUGPUJZFJ-LLVKDONJSA-N 0 0 321.406 0.448 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000119991988 303339377 /nfs/dbraw/zinc/33/93/77/303339377.db2.gz YEDKTUFFBAUDGX-QMTHXVAHSA-N 0 0 309.391 0.898 10 0 DCAERN O=C(CSc1nnc(-c2cnccn2)o1)N1CCOCC1 ZINC000001378718 180857455 /nfs/dbraw/zinc/85/74/55/180857455.db2.gz JGNACIUHRSEHRQ-UHFFFAOYSA-N 0 0 307.335 0.478 10 0 DCAERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)N1CCNC1=O ZINC000173708135 198243393 /nfs/dbraw/zinc/24/33/93/198243393.db2.gz ZSXDPHOCYWSXLO-UHFFFAOYSA-N 0 0 319.365 0.858 10 0 DCAERN O=C(NCCCn1cccn1)N1CCC[C@@H](n2cncn2)C1 ZINC000173731150 198245785 /nfs/dbraw/zinc/24/57/85/198245785.db2.gz UUPIBNVUIMUGFS-CYBMUJFWSA-N 0 0 303.370 0.911 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@@H]1N1CCOCC1 ZINC000173855025 198261209 /nfs/dbraw/zinc/26/12/09/198261209.db2.gz WCHKOZKFHGPVKA-ZFWWWQNUSA-N 0 0 318.421 0.940 10 0 DCAERN CC(=O)O[C@H]1CCC(O)=C(C(=O)CC2CC(=O)NC(=O)C2)C1 ZINC000001668694 180885906 /nfs/dbraw/zinc/88/59/06/180885906.db2.gz SVJMSYJZWQVJKU-WDEREUQCSA-N 0 0 309.318 0.299 10 0 DCAERN COc1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1NC(C)=O ZINC000086014007 545706843 /nfs/dbraw/zinc/70/68/43/545706843.db2.gz GYUSQWPZYBAJBB-SECBINFHSA-N 0 0 316.379 0.703 10 0 DCAERN CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000174087905 198289879 /nfs/dbraw/zinc/28/98/79/198289879.db2.gz CAFTWYYUBYANNM-QZTJIDSGSA-N 0 0 322.449 0.953 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2cccc(C=O)c2)C[C@H]1C ZINC000174332572 198321291 /nfs/dbraw/zinc/32/12/91/198321291.db2.gz NUOIOZRBGJYMDE-ZIAGYGMSSA-N 0 0 320.389 0.791 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2ccccc2C=O)C[C@@H]1C ZINC000174355227 198324310 /nfs/dbraw/zinc/32/43/10/198324310.db2.gz YWHZBCSKIMTRLM-UONOGXRCSA-N 0 0 320.389 0.791 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CSC(=O)N3)C2)no1 ZINC000174607397 198358136 /nfs/dbraw/zinc/35/81/36/198358136.db2.gz MYPFAKAXTHNJGC-VHSXEESVSA-N 0 0 310.379 0.984 10 0 DCAERN Cn1ccnc(N2CCN(C[C@H](O)c3ccccc3)CC2)c1=O ZINC000174731866 198377529 /nfs/dbraw/zinc/37/75/29/198377529.db2.gz FFVINFWXHBXYFC-HNNXBMFYSA-N 0 0 314.389 0.636 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H](C)CCO)C2=O)n(C)n1 ZINC000175149390 198435725 /nfs/dbraw/zinc/43/57/25/198435725.db2.gz RVWSJVSRADRLCZ-JQWIXIFHSA-N 0 0 323.397 0.294 10 0 DCAERN COC(=O)CN(C(C)C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000047952632 291061959 /nfs/dbraw/zinc/06/19/59/291061959.db2.gz PKWSBBKCEFFUCA-QWRGUYRKSA-N 0 0 308.400 0.224 10 0 DCAERN O=C([O-])C[NH+]1CCN(c2nc(Cl)nc3ncccc32)CC1 ZINC000073736512 191349833 /nfs/dbraw/zinc/34/98/33/191349833.db2.gz GUINEPICMXSQED-UHFFFAOYSA-N 0 0 307.741 0.885 10 0 DCAERN CCc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)n(C)n1 ZINC000077939496 191799328 /nfs/dbraw/zinc/79/93/28/191799328.db2.gz HNWUAHKAPVWHOX-PWSUYJOCSA-N 0 0 308.382 0.588 10 0 DCAERN C[C@H]1C[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCO1 ZINC000408077559 291074324 /nfs/dbraw/zinc/07/43/24/291074324.db2.gz ZBDQLHALQFRDRR-QWRGUYRKSA-N 0 0 304.412 0.773 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000177234437 198691463 /nfs/dbraw/zinc/69/14/63/198691463.db2.gz JYNSFZKLLYNZRN-OCCSQVGLSA-N 0 0 320.393 0.570 10 0 DCAERN CC(C)[C@H](C)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000080158912 192007253 /nfs/dbraw/zinc/00/72/53/192007253.db2.gz NJOFQATVZOHGAV-LBPRGKRZSA-N 0 0 323.397 0.908 10 0 DCAERN C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)C[C@@H](O)CO ZINC000177687389 198760361 /nfs/dbraw/zinc/76/03/61/198760361.db2.gz GVZDTIIAZDLCGH-PWSUYJOCSA-N 0 0 311.363 0.096 10 0 DCAERN C[C@H]1C[C@H](C(=O)N2CCCN(CC(F)(F)F)CC2)CC(=O)N1 ZINC000408159680 291101784 /nfs/dbraw/zinc/10/17/84/291101784.db2.gz GRYCOBTZXACPMS-QWRGUYRKSA-N 0 0 321.343 0.998 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC(C)(O)CC2)[C@H]1c1cccnc1 ZINC000177789545 198777446 /nfs/dbraw/zinc/77/74/46/198777446.db2.gz GKAHWTQLWNSHEJ-DZGCQCFKSA-N 0 0 317.389 0.974 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000119512175 283290737 /nfs/dbraw/zinc/29/07/37/283290737.db2.gz QFWDLOIKEVLKHG-CQSZACIVSA-N 0 0 323.368 0.451 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)cn1 ZINC000179459850 199039328 /nfs/dbraw/zinc/03/93/28/199039328.db2.gz QHUFWMLFBWQENO-SNVBAGLBSA-N 0 0 309.370 0.660 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000179766567 199078114 /nfs/dbraw/zinc/07/81/14/199078114.db2.gz RYHGZAAJVBASOE-NEPJUHHUSA-N 0 0 321.377 0.300 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000091783885 283328377 /nfs/dbraw/zinc/32/83/77/283328377.db2.gz SRJJECBZJAZHHT-LBPRGKRZSA-N 0 0 301.302 0.668 10 0 DCAERN CCOCCN(C)S(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000180187735 199128301 /nfs/dbraw/zinc/12/83/01/199128301.db2.gz GADVJAOSJFNESA-UHFFFAOYSA-N 0 0 300.380 0.703 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N2CCOC[C@H]2C(N)=O)s1 ZINC000180189077 199129040 /nfs/dbraw/zinc/12/90/40/199129040.db2.gz DBGDIFJWGKRVBL-JTQLQIEISA-N 0 0 310.375 0.732 10 0 DCAERN COC(=O)C[C@H](C)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000132370170 291138386 /nfs/dbraw/zinc/13/83/86/291138386.db2.gz ICMMWNWXZOFKLK-KBPBESRZSA-N 0 0 312.410 0.899 10 0 DCAERN COC[C@H](C)CNC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000180447285 199160317 /nfs/dbraw/zinc/16/03/17/199160317.db2.gz OZHBXZMMLSBZIT-SNVBAGLBSA-N 0 0 317.349 0.809 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000180485383 199164742 /nfs/dbraw/zinc/16/47/42/199164742.db2.gz PONMXOYXKYPFMB-BXUZGUMPSA-N 0 0 305.378 0.888 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc(=O)[nH]1 ZINC000180485368 199165567 /nfs/dbraw/zinc/16/55/67/199165567.db2.gz PONMXOYXKYPFMB-SMDDNHRTSA-N 0 0 305.378 0.888 10 0 DCAERN Cc1ncc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C)n1 ZINC000180485331 199165594 /nfs/dbraw/zinc/16/55/94/199165594.db2.gz KIJUQVONAQUQSP-NHYWBVRUSA-N 0 0 304.394 0.886 10 0 DCAERN C[C@@]1(O)CCN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)C1 ZINC000180603149 199183058 /nfs/dbraw/zinc/18/30/58/199183058.db2.gz VSGPMVSMGDELNX-OAHLLOKOSA-N 0 0 315.333 0.394 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000271225396 283380331 /nfs/dbraw/zinc/38/03/31/283380331.db2.gz OMGGCEDUPHOXPA-ZYHUDNBSSA-N 0 0 317.349 0.455 10 0 DCAERN COC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000038026896 291156012 /nfs/dbraw/zinc/15/60/12/291156012.db2.gz AKOLSJUKYLWEKA-VXGBXAGGSA-N 0 0 317.407 0.755 10 0 DCAERN Nc1ncnc2c1nc(Br)n2[C@H]1CC[C@@H](CO)O1 ZINC000005941019 181299530 /nfs/dbraw/zinc/29/95/30/181299530.db2.gz GJDDMLRZHBSEJS-NTSWFWBYSA-N 0 0 314.143 0.841 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085980017 236872533 /nfs/dbraw/zinc/87/25/33/236872533.db2.gz JIACCTUUILWGIB-STQMWFEESA-N 0 0 318.439 0.325 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000156341426 237052130 /nfs/dbraw/zinc/05/21/30/237052130.db2.gz QMQCQOIIECIWCR-GRYCIOLGSA-N 0 0 306.428 0.888 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cc2nc(C3CCCC3)no2)C1 ZINC000153868346 237022862 /nfs/dbraw/zinc/02/28/62/237022862.db2.gz JLZVWGCLYNVTNU-NSHDSACASA-N 0 0 314.411 0.851 10 0 DCAERN Cc1cccc(N(CCC(N)=O)C[C@@H](O)CN2CCCC2=O)c1 ZINC000156796630 237053818 /nfs/dbraw/zinc/05/38/18/237053818.db2.gz VDTUNVADFFOXGN-OAHLLOKOSA-N 0 0 319.405 0.660 10 0 DCAERN C[C@H]1CN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 ZINC000157229295 237058795 /nfs/dbraw/zinc/05/87/95/237058795.db2.gz ZTLZNOUOSUGMAR-UWVGGRQHSA-N 0 0 316.379 0.779 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)C(=O)N1CCCCC1 ZINC000172595076 237146771 /nfs/dbraw/zinc/14/67/71/237146771.db2.gz MQWIRDDITQOQQL-AVGNSLFASA-N 0 0 324.425 0.731 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)Cc2cnn(C)c2)[C@H](C)CO1 ZINC000172983903 237151870 /nfs/dbraw/zinc/15/18/70/237151870.db2.gz REWGWFGFILANIE-GHMZBOCLSA-N 0 0 302.400 0.206 10 0 DCAERN C[C@H](C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CCOCC1 ZINC000180308810 237251187 /nfs/dbraw/zinc/25/11/87/237251187.db2.gz HQERDEJVFLCCFD-RYUDHWBXSA-N 0 0 318.439 0.541 10 0 DCAERN COCc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)o1 ZINC000181279464 237263486 /nfs/dbraw/zinc/26/34/86/237263486.db2.gz YHZGPYXBTQAKHH-JTQLQIEISA-N 0 0 316.379 0.532 10 0 DCAERN COCCOc1cccc(C(=O)N2CCN(CCO)[C@H](C)C2)c1 ZINC000188702607 237376730 /nfs/dbraw/zinc/37/67/30/237376730.db2.gz DQJJYEDRNFYBTE-CQSZACIVSA-N 0 0 322.405 0.850 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H]1CCC[C@@H]1CCO ZINC000189015571 237387784 /nfs/dbraw/zinc/38/77/84/237387784.db2.gz YOEBUUXFWMZQGH-VXGBXAGGSA-N 0 0 303.362 0.997 10 0 DCAERN NC(=O)c1coc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000187980298 200185926 /nfs/dbraw/zinc/18/59/26/200185926.db2.gz DVZDUXJYSNODCB-LLVKDONJSA-N 0 0 321.255 0.587 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000192644991 237470230 /nfs/dbraw/zinc/47/02/30/237470230.db2.gz XOGYMYJLCMYMIC-BXUZGUMPSA-N 0 0 306.362 0.840 10 0 DCAERN CC1(O)CN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000281137435 216104594 /nfs/dbraw/zinc/10/45/94/216104594.db2.gz JGWYFJLSYBHJPK-UHFFFAOYSA-N 0 0 319.766 0.867 10 0 DCAERN CC(C)NC(=O)CN(C)C(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000153563866 291207784 /nfs/dbraw/zinc/20/77/84/291207784.db2.gz HNTVMWLRCYWLSZ-GFCCVEGCSA-N 0 0 308.378 0.929 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1CCO ZINC000188720384 200293207 /nfs/dbraw/zinc/29/32/07/200293207.db2.gz YVIUJTUHKQTZKK-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NC[C@H]1CCCS1(=O)=O ZINC000154028800 291210241 /nfs/dbraw/zinc/21/02/41/291210241.db2.gz QOYQKKCRXUFCJC-SNVBAGLBSA-N 0 0 323.374 0.023 10 0 DCAERN C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(-n2ccnn2)cc1 ZINC000154085576 291210895 /nfs/dbraw/zinc/21/08/95/291210895.db2.gz PIDDPLCTKMSJOD-NSHDSACASA-N 0 0 324.344 0.852 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cn1 ZINC000154875183 291216233 /nfs/dbraw/zinc/21/62/33/291216233.db2.gz IVLDDCGFCWSLIE-UWVGGRQHSA-N 0 0 306.370 0.708 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCC(=O)NCC1CC1 ZINC000155123140 291218188 /nfs/dbraw/zinc/21/81/88/291218188.db2.gz NBQWCAXKLOTCAN-UHFFFAOYSA-N 0 0 303.362 0.367 10 0 DCAERN Cc1nc(C(=O)NCCCOC[C@H]2CCOC2)c(=O)[nH]c1C ZINC000156295587 291224228 /nfs/dbraw/zinc/22/42/28/291224228.db2.gz IIAJGZMBDCEQEO-GFCCVEGCSA-N 0 0 309.366 0.560 10 0 DCAERN NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000156447958 291225083 /nfs/dbraw/zinc/22/50/83/291225083.db2.gz SBKGYYYGYPJLEC-GXSJLCMTSA-N 0 0 317.349 0.109 10 0 DCAERN O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccn(C2CCCC2)n1 ZINC000156463489 291225144 /nfs/dbraw/zinc/22/51/44/291225144.db2.gz VYRJRVDITGVAKU-UHFFFAOYSA-N 0 0 317.349 0.165 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000408461657 283592467 /nfs/dbraw/zinc/59/24/67/283592467.db2.gz WGIFLLZGSXMNEJ-IJLUTSLNSA-N 0 0 304.412 0.484 10 0 DCAERN C[C@H](CN1CCN(c2nccs2)CC1)CS(C)(=O)=O ZINC000162665304 291244571 /nfs/dbraw/zinc/24/45/71/291244571.db2.gz QOVPSDSASLFIIU-LLVKDONJSA-N 0 0 303.453 0.946 10 0 DCAERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCNC(=O)C1(C)C ZINC000162871758 291245409 /nfs/dbraw/zinc/24/54/09/291245409.db2.gz QPXNVPSXUHGWCR-NSHDSACASA-N 0 0 306.362 0.683 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NC[C@H]2CC=CCC2)cn1 ZINC000163835280 291246931 /nfs/dbraw/zinc/24/69/31/291246931.db2.gz IUBDRJPLDKIIJN-NSHDSACASA-N 0 0 303.366 0.954 10 0 DCAERN Cc1ccc(F)cc1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000276564001 238325472 /nfs/dbraw/zinc/32/54/72/238325472.db2.gz SSNUSAGSDUNBEL-CYBMUJFWSA-N 0 0 323.368 0.392 10 0 DCAERN CCn1cc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cn1 ZINC000268223757 291250183 /nfs/dbraw/zinc/25/01/83/291250183.db2.gz SSWXYTVSBOMZGF-VXGBXAGGSA-N 0 0 312.395 0.335 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCO[C@@]3(CCOC3)C1)CC2 ZINC000281483304 216331276 /nfs/dbraw/zinc/33/12/76/216331276.db2.gz VPYDDZSDTPKHNL-LRDDRELGSA-N 0 0 305.378 0.543 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCS[C@H]3COCC[C@H]32)c1 ZINC000408356507 239266977 /nfs/dbraw/zinc/26/69/77/239266977.db2.gz YTRXDSVPWOESOJ-MNOVXSKESA-N 0 0 317.436 0.798 10 0 DCAERN O=C(NCc1cc(Cl)ccn1)N1CCS(=O)(=O)CC1 ZINC000408396495 239268288 /nfs/dbraw/zinc/26/82/88/239268288.db2.gz PSERIHIQWFPLQW-UHFFFAOYSA-N 0 0 303.771 0.675 10 0 DCAERN CCOCCCNC(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000566355826 291296599 /nfs/dbraw/zinc/29/65/99/291296599.db2.gz QHQUZNGYOOCWMX-UHFFFAOYSA-N 0 0 321.443 0.384 10 0 DCAERN O=C(C(=O)N1CCNC(=O)CC1)N1CCCc2ccc(F)cc21 ZINC000133762056 283739937 /nfs/dbraw/zinc/73/99/37/283739937.db2.gz PFQCNFCWWHPXFY-UHFFFAOYSA-N 0 0 319.336 0.453 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1)S(N)(=O)=O ZINC000430269080 240387268 /nfs/dbraw/zinc/38/72/68/240387268.db2.gz PLAKJTPXUCGGCH-BDAKNGLRSA-N 0 0 320.798 0.901 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@H](CC(N)=O)C2)n1 ZINC000441452886 240520731 /nfs/dbraw/zinc/52/07/31/240520731.db2.gz QLFGFKYXECRTSG-GFCCVEGCSA-N 0 0 320.393 0.930 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000444935544 240574240 /nfs/dbraw/zinc/57/42/40/240574240.db2.gz GNESSBJHFSOTTP-GFCCVEGCSA-N 0 0 320.349 0.417 10 0 DCAERN CN(CCCO)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000443002553 240554551 /nfs/dbraw/zinc/55/45/51/240554551.db2.gz PDGQNAHJIWNVLP-UHFFFAOYSA-N 0 0 320.436 0.294 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1ccc(Br)nc1 ZINC000091448794 193058003 /nfs/dbraw/zinc/05/80/03/193058003.db2.gz GAFGBZRGFIZTQT-SSDOTTSWSA-N 0 0 312.123 0.379 10 0 DCAERN O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CCN2CCOC[C@@H]2C1 ZINC000374959900 296080540 /nfs/dbraw/zinc/08/05/40/296080540.db2.gz FGJOKDGVEIFVCZ-ZFWWWQNUSA-N 0 0 316.357 0.311 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2nc(COC)ns2)CC12COC2 ZINC000450573016 240636057 /nfs/dbraw/zinc/63/60/57/240636057.db2.gz VSONULBKHHWVNN-VIFPVBQESA-N 0 0 313.379 0.700 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccn(C)c2)CC12COC2 ZINC000454579078 240794336 /nfs/dbraw/zinc/79/43/36/240794336.db2.gz BWHOXTMXBZGEKV-ZDUSSCGKSA-N 0 0 321.377 0.746 10 0 DCAERN C[C@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000091987662 193137110 /nfs/dbraw/zinc/13/71/10/193137110.db2.gz OEZFDNPIGZPYFC-OCCSQVGLSA-N 0 0 304.394 0.798 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC000460070659 241066140 /nfs/dbraw/zinc/06/61/40/241066140.db2.gz DCVWPTRPXNPIBP-GFCCVEGCSA-N 0 0 312.414 0.365 10 0 DCAERN COC(=O)[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000246466082 291365215 /nfs/dbraw/zinc/36/52/15/291365215.db2.gz ZKIBYDHTBRQFKJ-MELADBBJSA-N 0 0 310.394 0.794 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000300177921 291382664 /nfs/dbraw/zinc/38/26/64/291382664.db2.gz YAANGDJHDNYFJW-KKOKHZNYSA-N 0 0 305.396 0.767 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000300177924 291383088 /nfs/dbraw/zinc/38/30/88/291383088.db2.gz YAANGDJHDNYFJW-KXNHARMFSA-N 0 0 305.396 0.767 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(c1nc3c(cnn3C)c(N)n1)CC2 ZINC000278512909 283980917 /nfs/dbraw/zinc/98/09/17/283980917.db2.gz YFXGGNWOGQMRGN-JTQLQIEISA-N 0 0 316.365 0.725 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)co1 ZINC000275225014 212207597 /nfs/dbraw/zinc/20/75/97/212207597.db2.gz IPXODAKJUJGFPC-QMMMGPOBSA-N 0 0 300.336 0.239 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nccn1Cc1ccccc1 ZINC000092229464 193177563 /nfs/dbraw/zinc/17/75/63/193177563.db2.gz IMVKSLQCUCULCU-AWEZNQCLSA-N 0 0 300.362 0.618 10 0 DCAERN O=C(CCc1ccc(O)cc1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000568590369 291435485 /nfs/dbraw/zinc/43/54/85/291435485.db2.gz ZBYOKDWWXZWTCC-INIZCTEOSA-N 0 0 317.345 0.525 10 0 DCAERN COC(=O)C1(NC(=O)c2nc(C)c(C)[nH]c2=O)CCCCC1 ZINC000092310144 193186934 /nfs/dbraw/zinc/18/69/34/193186934.db2.gz SFXCUFFIDGSWCT-UHFFFAOYSA-N 0 0 307.350 0.992 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000183851845 296137012 /nfs/dbraw/zinc/13/70/12/296137012.db2.gz QRVZGWWGUQVRBR-NOZJJQNGSA-N 0 0 321.764 0.476 10 0 DCAERN CCO[C@@H]1COC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000569079005 291460442 /nfs/dbraw/zinc/46/04/42/291460442.db2.gz HCMUKTFNOPDYPA-VXGBXAGGSA-N 0 0 303.318 0.457 10 0 DCAERN COc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1OC ZINC000093531145 193265430 /nfs/dbraw/zinc/26/54/30/193265430.db2.gz LTEDVKOUJPSLTL-LBPRGKRZSA-N 0 0 314.407 0.827 10 0 DCAERN COC[C@@](C)(O)C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 ZINC000569659465 291489066 /nfs/dbraw/zinc/48/90/66/291489066.db2.gz CTQBFZNOIXDSHM-OAHLLOKOSA-N 0 0 319.365 0.669 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408059983 284214400 /nfs/dbraw/zinc/21/44/00/284214400.db2.gz RJPNINAQSHGJJB-QMVSFRDZSA-N 0 0 310.394 0.506 10 0 DCAERN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000264834997 204192881 /nfs/dbraw/zinc/19/28/81/204192881.db2.gz BDKBUMIJXFZUSX-CHWSQXEVSA-N 0 0 319.409 0.746 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)NCc1cccnc1N(C)C ZINC000190065005 284299041 /nfs/dbraw/zinc/29/90/41/284299041.db2.gz WNMAQLJNUDSLJD-LLVKDONJSA-N 0 0 307.398 0.814 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)Cc1ccccc1F ZINC000282607518 217121159 /nfs/dbraw/zinc/12/11/59/217121159.db2.gz RFLFCARGFIBCOI-SKDRFNHKSA-N 0 0 300.355 0.912 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@]3(CCSC3)C2)C1 ZINC000572122933 291549776 /nfs/dbraw/zinc/54/97/76/291549776.db2.gz XFFCCLQJWYBUBZ-HUUCEWRRSA-N 0 0 312.435 0.979 10 0 DCAERN Cn1cc([C@H]2CN(C(=O)[C@]3(C)CCC(=O)NC3)CCO2)cn1 ZINC000282801990 217260699 /nfs/dbraw/zinc/26/06/99/217260699.db2.gz QPJXRGVOEJNPOT-IUODEOHRSA-N 0 0 306.366 0.236 10 0 DCAERN C[C@@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408426716 296201275 /nfs/dbraw/zinc/20/12/75/296201275.db2.gz LFDYDWVKRDTNAA-HTOAHKCRSA-N 0 0 320.455 0.822 10 0 DCAERN CN1[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000019701707 182137852 /nfs/dbraw/zinc/13/78/52/182137852.db2.gz STECJAGHUSJQJN-GAUPFVANSA-N 0 0 303.358 0.918 10 0 DCAERN C[C@@H](C(=O)Nc1cccc(C(N)=S)c1)N1CCN(C)CC1 ZINC000020013606 182177715 /nfs/dbraw/zinc/17/77/15/182177715.db2.gz QNSCMSQXHNHGQK-NSHDSACASA-N 0 0 306.435 0.895 10 0 DCAERN C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)C1 ZINC000572690143 291583010 /nfs/dbraw/zinc/58/30/10/291583010.db2.gz OYTRWYBFMAZUIF-WQGACYEGSA-N 0 0 323.393 0.782 10 0 DCAERN Nc1nonc1C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000020899735 182253013 /nfs/dbraw/zinc/25/30/13/182253013.db2.gz SNRWEMJLKJENEE-UHFFFAOYSA-N 0 0 307.335 0.312 10 0 DCAERN COC[C@@H](C)NS(=O)(=O)Cc1ccc(C(N)=S)cc1 ZINC000021509607 182276286 /nfs/dbraw/zinc/27/62/86/182276286.db2.gz AKDBIZNKNIXGBO-SECBINFHSA-N 0 0 302.421 0.775 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000274476843 211646524 /nfs/dbraw/zinc/64/65/24/211646524.db2.gz MBJIXHXZZBXANM-ZDUSSCGKSA-N 0 0 317.393 0.384 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194083283 284551905 /nfs/dbraw/zinc/55/19/05/284551905.db2.gz RKKYDTVPOUWNRL-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CCC[C@H]1C ZINC000373637503 291636965 /nfs/dbraw/zinc/63/69/65/291636965.db2.gz ZHJFMBJZHQSOTC-XQHKEYJVSA-N 0 0 316.423 0.989 10 0 DCAERN CC(C)CCNS(=O)(=O)c1ccc(N2CC(CO)C2)nc1 ZINC000573754369 291653111 /nfs/dbraw/zinc/65/31/11/291653111.db2.gz QTNBEIKLGADTPV-UHFFFAOYSA-N 0 0 313.423 0.835 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)N1CCCC1 ZINC000408257398 291654593 /nfs/dbraw/zinc/65/45/93/291654593.db2.gz STBXPISZAPDWQT-SRVKXCTJSA-N 0 0 302.396 0.601 10 0 DCAERN CCN(CCO)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000037900443 182935485 /nfs/dbraw/zinc/93/54/85/182935485.db2.gz VYIPUMREBMBDNT-UHFFFAOYSA-N 0 0 303.771 0.991 10 0 DCAERN CCCN(CC(=O)OCC)C(=O)[C@H](NC(N)=O)[C@H](C)CC ZINC000038020935 182967503 /nfs/dbraw/zinc/96/75/03/182967503.db2.gz JGQDDTBHMYOEJS-ZYHUDNBSSA-N 0 0 301.387 0.871 10 0 DCAERN COCC(=O)NCc1nc2ccccc2n1CC(=O)NC1CC1 ZINC000040296385 183052633 /nfs/dbraw/zinc/05/26/33/183052633.db2.gz OOJTULANIRYKSX-UHFFFAOYSA-N 0 0 316.361 0.578 10 0 DCAERN COC[C@H](O)CN(C)C(=O)c1cncc(Br)c1 ZINC000042499313 183277100 /nfs/dbraw/zinc/27/71/00/183277100.db2.gz GOWSMPLQKRMGJN-SNVBAGLBSA-N 0 0 303.156 0.923 10 0 DCAERN CNS(=O)(=O)c1ccccc1NC1CCS(=O)CC1 ZINC000042353534 183257226 /nfs/dbraw/zinc/25/72/26/183257226.db2.gz KWKWFEUFWMZYED-UHFFFAOYSA-N 0 0 302.421 0.918 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C(=O)NCC2CC2)n1 ZINC000574331473 291688573 /nfs/dbraw/zinc/68/85/73/291688573.db2.gz SKWHBPVTWAVQHA-KCJUWKMLSA-N 0 0 308.338 0.193 10 0 DCAERN CC(=O)Nc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104780556 194038848 /nfs/dbraw/zinc/03/88/48/194038848.db2.gz MNVSTYNOYPSXOE-OAHLLOKOSA-N 0 0 320.393 0.775 10 0 DCAERN COCc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104782610 194040676 /nfs/dbraw/zinc/04/06/76/194040676.db2.gz YRQGUNBNIXJTQE-OAHLLOKOSA-N 0 0 307.394 0.963 10 0 DCAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCNC(=O)CC1 ZINC000105143764 194078959 /nfs/dbraw/zinc/07/89/59/194078959.db2.gz SIIRLOMCJXURRE-SNVBAGLBSA-N 0 0 322.331 0.402 10 0 DCAERN C[C@H](CNC(=O)N1CCNC(=O)CC1)N1CCc2ccccc21 ZINC000105150613 194079517 /nfs/dbraw/zinc/07/95/17/194079517.db2.gz DRTVKWHKOVKNPO-CYBMUJFWSA-N 0 0 316.405 0.969 10 0 DCAERN CC(C)CCC(=O)NCC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105883451 194156666 /nfs/dbraw/zinc/15/66/66/194156666.db2.gz PLPDKHSSLPDQIG-ZDUSSCGKSA-N 0 0 307.398 0.994 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC(Cn3cccn3)CC2)n1 ZINC000106184259 194190272 /nfs/dbraw/zinc/19/02/72/194190272.db2.gz NWMMKJSEXYJWJW-UHFFFAOYSA-N 0 0 316.413 0.629 10 0 DCAERN O=C(CN1CCN(c2ccnc(C3CC3)n2)CC1)NC1CC1 ZINC000110117776 194310811 /nfs/dbraw/zinc/31/08/11/194310811.db2.gz LHDTVRBUCFTSKO-UHFFFAOYSA-N 0 0 301.394 0.755 10 0 DCAERN CN(C(=O)CN1CCCC1=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000110886890 194366885 /nfs/dbraw/zinc/36/68/85/194366885.db2.gz OVSJGGZANXUWKZ-CQSZACIVSA-N 0 0 315.373 0.873 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000110888366 194367087 /nfs/dbraw/zinc/36/70/87/194367087.db2.gz NLGIXYUHCXBHFD-JQWIXIFHSA-N 0 0 304.350 0.307 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328901576 296317202 /nfs/dbraw/zinc/31/72/02/296317202.db2.gz ZGLGKNNOVGEHPO-MCIONIFRSA-N 0 0 317.455 0.511 10 0 DCAERN CCN1C[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)CC1=O ZINC000112068337 194429410 /nfs/dbraw/zinc/42/94/10/194429410.db2.gz JXABBRCWLQJJDK-KBPBESRZSA-N 0 0 320.393 0.287 10 0 DCAERN Cc1cc(F)cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000271957687 209340598 /nfs/dbraw/zinc/34/05/98/209340598.db2.gz LBQRAAZIFYJDPJ-LLVKDONJSA-N 0 0 302.327 0.009 10 0 DCAERN CCNc1nnc(S(=O)(=O)CC(=O)NC(C)(C)C)s1 ZINC000061062223 184161096 /nfs/dbraw/zinc/16/10/96/184161096.db2.gz UKBYATULCQAWFF-UHFFFAOYSA-N 0 0 306.413 0.658 10 0 DCAERN NC(=S)c1ccccc1S(=O)(=O)NC[C@@H]1CCOC1 ZINC000061147219 184163291 /nfs/dbraw/zinc/16/32/91/184163291.db2.gz QHCMCKHOPWPYOK-VIFPVBQESA-N 0 0 300.405 0.636 10 0 DCAERN CCS(=O)(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000064554358 184299861 /nfs/dbraw/zinc/29/98/61/184299861.db2.gz DHUHWXFBRDWJDX-GFCCVEGCSA-N 0 0 300.355 0.980 10 0 DCAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCNC(=O)C1 ZINC000063638713 184286065 /nfs/dbraw/zinc/28/60/65/184286065.db2.gz SJDCEQUAZNTKRE-MWLCHTKSSA-N 0 0 319.336 0.992 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000065773938 184379446 /nfs/dbraw/zinc/37/94/46/184379446.db2.gz QICFNQBHECHNOF-GFCCVEGCSA-N 0 0 322.384 0.917 10 0 DCAERN CCC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CCc3ncnn3C2)CC1=O ZINC000112662029 194498720 /nfs/dbraw/zinc/49/87/20/194498720.db2.gz QKNQLQVMNCOXEQ-YNEHKIRRSA-N 0 0 319.409 0.746 10 0 DCAERN O=C(NCCc1cccc(O)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112748108 194518274 /nfs/dbraw/zinc/51/82/74/194518274.db2.gz SZTBQJSBAPUFSC-GFCCVEGCSA-N 0 0 301.350 0.840 10 0 DCAERN Cn1nccc1CC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000333241431 252696996 /nfs/dbraw/zinc/69/69/96/252696996.db2.gz IOFZIRSGCQZBMP-UHFFFAOYSA-N 0 0 301.350 0.833 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000119699462 195021559 /nfs/dbraw/zinc/02/15/59/195021559.db2.gz KTNLZGUONHRJSN-LLVKDONJSA-N 0 0 304.412 0.281 10 0 DCAERN CC(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1 ZINC000339218170 253042280 /nfs/dbraw/zinc/04/22/80/253042280.db2.gz QBZJFVJKSJFNDO-OAHLLOKOSA-N 0 0 306.362 0.312 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)C1 ZINC000340596309 253282231 /nfs/dbraw/zinc/28/22/31/253282231.db2.gz OCKNUJMXZFUAKA-DTWKUNHWSA-N 0 0 304.334 0.866 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000340970337 253329870 /nfs/dbraw/zinc/32/98/70/253329870.db2.gz VBJYHNGPSIPVJW-LBPRGKRZSA-N 0 0 311.382 0.594 10 0 DCAERN C[C@H]1COCCN1C(=O)c1ccc(CN2CCOCC2)cn1 ZINC000341324796 253367969 /nfs/dbraw/zinc/36/79/69/253367969.db2.gz SMFLBGFSTJLNOL-ZDUSSCGKSA-N 0 0 305.378 0.775 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N1CC(CCO)C1 ZINC000343037931 253585149 /nfs/dbraw/zinc/58/51/49/253585149.db2.gz FFTIYTFSCMESMZ-UHFFFAOYSA-N 0 0 304.390 0.918 10 0 DCAERN CC(=O)N1CCN(CCNC(=O)c2cn3ccnc3s2)CC1 ZINC000343625487 253675410 /nfs/dbraw/zinc/67/54/10/253675410.db2.gz REDXYGCSOFKNAL-UHFFFAOYSA-N 0 0 321.406 0.290 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nc(N(C)C)no2)n1 ZINC000346517246 254061510 /nfs/dbraw/zinc/06/15/10/254061510.db2.gz ZBZOYOKLRZOBTJ-KCJUWKMLSA-N 0 0 308.342 0.789 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CCC(c3ccnn3C)CC2)C1=O ZINC000163874919 220448667 /nfs/dbraw/zinc/44/86/67/220448667.db2.gz HBZACZCGOHPXFZ-GFCCVEGCSA-N 0 0 305.382 0.540 10 0 DCAERN C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)S(N)(=O)=O ZINC000347563545 254168349 /nfs/dbraw/zinc/16/83/49/254168349.db2.gz HKFZNLNFYGLNDL-MNOVXSKESA-N 0 0 300.380 0.385 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCC[C@@H](C)O ZINC000347920633 254202024 /nfs/dbraw/zinc/20/20/24/254202024.db2.gz XDQJZCQMIZRNTO-SNVBAGLBSA-N 0 0 307.350 0.495 10 0 DCAERN CCN1CCCN(S(=O)(=O)[C@@H](C)C(F)(F)F)CC1=O ZINC000191025874 285225139 /nfs/dbraw/zinc/22/51/39/285225139.db2.gz BHQHAIKJDOARRP-QMMMGPOBSA-N 0 0 302.318 0.821 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCC(c2nncn2CC)CC1 ZINC000152151707 196779778 /nfs/dbraw/zinc/77/97/78/196779778.db2.gz UDVZLUWFFCEZAE-LLVKDONJSA-N 0 0 322.413 0.712 10 0 DCAERN CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@]3(CCOC3)C2)CC1 ZINC000249041247 285299038 /nfs/dbraw/zinc/29/90/38/285299038.db2.gz VCXFGBOURLARPF-ZBFHGGJFSA-N 0 0 311.426 0.030 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCN(C(=O)C4CC4)C3)C2=O)n(C)n1 ZINC000333566357 291939431 /nfs/dbraw/zinc/93/94/31/291939431.db2.gz RIBIYALIZCOREP-CYBMUJFWSA-N 0 0 317.393 0.346 10 0 DCAERN Cc1nnc(N2C[C@H]3COC[C@@]3(C(=O)NCC3CC3)C2)s1 ZINC000248044294 257110588 /nfs/dbraw/zinc/11/05/88/257110588.db2.gz USFXXSNIUKPNLK-FZMZJTMJSA-N 0 0 308.407 0.826 10 0 DCAERN COC[C@@H]1CCS(=O)(=O)C12CN(c1nnc(C)s1)C2 ZINC000247994290 257113534 /nfs/dbraw/zinc/11/35/34/257113534.db2.gz CAZWEIIVYNWYMV-VIFPVBQESA-N 0 0 303.409 0.486 10 0 DCAERN O=C(c1cocn1)N1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000247856292 257116073 /nfs/dbraw/zinc/11/60/73/257116073.db2.gz KQZHCNRPYPHABZ-LLVKDONJSA-N 0 0 316.317 0.917 10 0 DCAERN O=C([C@@H]1C[N@H+](Cc2ccncc2)[C@H]2CCO[C@@H]12)N1CCOCC1 ZINC000247803947 257117822 /nfs/dbraw/zinc/11/78/22/257117822.db2.gz XPMSHJNSGSLVSK-PMPSAXMXSA-N 0 0 317.389 0.530 10 0 DCAERN CS(=O)(=O)N1CC2(C1)C[C@H](Oc1ncccc1F)CCO2 ZINC000247545314 257119170 /nfs/dbraw/zinc/11/91/70/257119170.db2.gz UJDGLWTUBYKVNX-SNVBAGLBSA-N 0 0 316.354 0.793 10 0 DCAERN O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247301337 257120310 /nfs/dbraw/zinc/12/03/10/257120310.db2.gz FDYCZCCNSLWDKM-CYBMUJFWSA-N 0 0 311.407 0.986 10 0 DCAERN CCS(=O)(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1ccncc1 ZINC000253493854 257105764 /nfs/dbraw/zinc/10/57/64/257105764.db2.gz VOCRXMHHRQEXGL-OLZOCXBDSA-N 0 0 309.391 0.607 10 0 DCAERN C[C@H](O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000521396659 257240386 /nfs/dbraw/zinc/24/03/86/257240386.db2.gz BWDCEALEUBHILD-YVECIDJPSA-N 0 0 318.439 0.181 10 0 DCAERN C[C@@H](O)CN(C(=O)c1cccc(-n2cncn2)c1)[C@@H](C)CO ZINC000189328495 533637770 /nfs/dbraw/zinc/63/77/70/533637770.db2.gz NHWTYRYMCUBVSS-NWDGAFQWSA-N 0 0 304.350 0.471 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000277435275 130611830 /nfs/dbraw/zinc/61/18/30/130611830.db2.gz DUJSBJZRSOFJAA-MXWKQRLJSA-N 0 0 308.338 0.145 10 0 DCAERN Cc1cc(CNC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)n(C)n1 ZINC000283803875 131025548 /nfs/dbraw/zinc/02/55/48/131025548.db2.gz BJCLGVJHXWYRGP-UONOGXRCSA-N 0 0 307.398 0.343 10 0 DCAERN Cc1cc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)n(C)n1 ZINC000284312595 131069212 /nfs/dbraw/zinc/06/92/12/131069212.db2.gz VDPZYZYYJONAIA-UHFFFAOYSA-N 0 0 314.411 0.447 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cn12 ZINC000284320291 131069751 /nfs/dbraw/zinc/06/97/51/131069751.db2.gz BCSVDKMYWVDIGY-UONOGXRCSA-N 0 0 315.377 0.583 10 0 DCAERN O[C@]1(c2cn[nH]n2)CCN(c2ncc(Br)cn2)C1 ZINC000284571883 131093459 /nfs/dbraw/zinc/09/34/59/131093459.db2.gz PBFDKKNFEAXAJC-SNVBAGLBSA-N 0 0 311.143 0.455 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000284800194 131112419 /nfs/dbraw/zinc/11/24/19/131112419.db2.gz ALMAKGGKJMAGFN-CQSZACIVSA-N 0 0 316.279 0.485 10 0 DCAERN Cc1ccnc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 ZINC000285122522 131140451 /nfs/dbraw/zinc/14/04/51/131140451.db2.gz ROGPTLOWJPRFDW-ZDUSSCGKSA-N 0 0 322.409 0.874 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000285356348 131160943 /nfs/dbraw/zinc/16/09/43/131160943.db2.gz CFLNRBKFUAVULP-MRXNPFEDSA-N 0 0 304.346 0.933 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000285463655 131170115 /nfs/dbraw/zinc/17/01/15/131170115.db2.gz KDQBFYDJMOCMNX-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCCc3c(O)cccc32)C1 ZINC000285538207 131178962 /nfs/dbraw/zinc/17/89/62/131178962.db2.gz NZUHSSIUJLWZIP-CXAGYDPISA-N 0 0 318.373 0.651 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@H](O)C(C)(C)C2)c(C2CC2)n1 ZINC000291810892 131601502 /nfs/dbraw/zinc/60/15/02/131601502.db2.gz QYLBORYYGHTSSR-LBPRGKRZSA-N 0 0 320.393 0.855 10 0 DCAERN CCOC(=O)N1CCN(c2ncnc(-n3ccnc3)c2N)CC1 ZINC000040801894 134722162 /nfs/dbraw/zinc/72/21/62/134722162.db2.gz YJSHTFCXIWJSRH-UHFFFAOYSA-N 0 0 317.353 0.523 10 0 DCAERN Cc1cnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nc1C ZINC000299753577 134746071 /nfs/dbraw/zinc/74/60/71/134746071.db2.gz YRSDDVRXZAXMCR-NSHDSACASA-N 0 0 301.354 0.625 10 0 DCAERN Cc1cc(C)n2nc(C(=O)NCC(=O)NC(C)(C)C)nc2n1 ZINC000016103645 395690204 /nfs/dbraw/zinc/69/02/04/395690204.db2.gz UQCMGFSOKPHOIE-UHFFFAOYSA-N 0 0 304.354 0.386 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NC ZINC000025199356 395693226 /nfs/dbraw/zinc/69/32/26/395693226.db2.gz WNRSFSUADSLLRY-BXUZGUMPSA-N 0 0 305.378 0.693 10 0 DCAERN Cc1cc(N)nc(SCC(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000029914089 395700443 /nfs/dbraw/zinc/70/04/43/395700443.db2.gz OJFCUHXAKNFHSH-SECBINFHSA-N 0 0 309.395 0.183 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000085988446 395702575 /nfs/dbraw/zinc/70/25/75/395702575.db2.gz XYOWCHHSEIOVLQ-DGCLKSJQSA-N 0 0 312.391 0.615 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000089781305 395714862 /nfs/dbraw/zinc/71/48/62/395714862.db2.gz NGIAHYWUYNNRCR-ZDUSSCGKSA-N 0 0 310.375 0.585 10 0 DCAERN COC(=O)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000036817728 395724737 /nfs/dbraw/zinc/72/47/37/395724737.db2.gz PJOVTCNRVPIZFC-UHFFFAOYSA-N 0 0 305.308 0.134 10 0 DCAERN CC[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000027153152 395694796 /nfs/dbraw/zinc/69/47/96/395694796.db2.gz VACPSAROSNAGPC-NSHDSACASA-N 0 0 303.366 0.779 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C[C@@H](C)O1 ZINC000029107171 395697073 /nfs/dbraw/zinc/69/70/73/395697073.db2.gz JBLFNWZXLDPHCD-VXGBXAGGSA-N 0 0 308.382 0.407 10 0 DCAERN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1OC(C)=O ZINC000039335732 395732266 /nfs/dbraw/zinc/73/22/66/395732266.db2.gz ICAMXOWGAZACCP-SJJUBHFPSA-N 0 0 324.329 0.765 10 0 DCAERN Cc1nccn1-c1cncc(N[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000091477341 395725524 /nfs/dbraw/zinc/72/55/24/395725524.db2.gz MRXKOSXXUAZCBD-NSHDSACASA-N 0 0 316.365 0.630 10 0 DCAERN O=C(Cn1ncc(=O)c2ccccc21)N[C@H]1CCCCNC1=O ZINC000042154055 395742864 /nfs/dbraw/zinc/74/28/64/395742864.db2.gz PZOHIAHAPMIVTJ-LBPRGKRZSA-N 0 0 314.345 0.181 10 0 DCAERN NC(=O)CSCC(=O)NCc1cccnc1-n1ccnc1 ZINC000042497666 395745994 /nfs/dbraw/zinc/74/59/94/395745994.db2.gz ZNRDUJUYKWOXSW-UHFFFAOYSA-N 0 0 305.363 0.102 10 0 DCAERN CCCOC(=O)C[C@H](C(=O)OCC)n1cnc2c1ncnc2N ZINC000096327757 395752506 /nfs/dbraw/zinc/75/25/06/395752506.db2.gz KLHAHEYAFQGOEJ-SECBINFHSA-N 0 0 321.337 0.856 10 0 DCAERN CCOC[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000044682281 395757646 /nfs/dbraw/zinc/75/76/46/395757646.db2.gz UCRRTMJWXPDMEH-QMMMGPOBSA-N 0 0 304.343 0.628 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)CCO)cc1 ZINC000097444664 395757916 /nfs/dbraw/zinc/75/79/16/395757916.db2.gz RNAVCHTYCABQGS-SNVBAGLBSA-N 0 0 300.380 0.343 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCc1nc(N(C)C)no1 ZINC000193883990 395781333 /nfs/dbraw/zinc/78/13/33/395781333.db2.gz ZPSVCQPYTJEFDN-NSHDSACASA-N 0 0 311.386 0.253 10 0 DCAERN Cc1cc(CS(=O)(=O)NC[C@](C)(O)C(F)(F)F)no1 ZINC000270554412 395782703 /nfs/dbraw/zinc/78/27/03/395782703.db2.gz NJZGLLDUJDQFPQ-QMMMGPOBSA-N 0 0 302.274 0.716 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1OC ZINC000193931181 395782832 /nfs/dbraw/zinc/78/28/32/395782832.db2.gz ZCZFIFQUOJIAMC-NSHDSACASA-N 0 0 312.391 0.903 10 0 DCAERN OC[C@H]1O[C@@H](OCCCC2CCCCC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000106382372 395783023 /nfs/dbraw/zinc/78/30/23/395783023.db2.gz DQXKLNVVAXZAEN-ARILJUKYSA-N 0 0 304.383 0.163 10 0 DCAERN Cc1ccc(CN2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1 ZINC000193945851 395783787 /nfs/dbraw/zinc/78/37/87/395783787.db2.gz OWBFEPKLUCUEIK-ZDUSSCGKSA-N 0 0 317.389 0.724 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCO1 ZINC000047100556 395787726 /nfs/dbraw/zinc/78/77/26/395787726.db2.gz BBWABYMXFUEVOG-OLZOCXBDSA-N 0 0 305.382 0.876 10 0 DCAERN CCOC(=O)CN(CCn1nc2ccccn2c1=O)C1CC1 ZINC000098142946 395762223 /nfs/dbraw/zinc/76/22/23/395762223.db2.gz WLWXZILWBQBZTE-UHFFFAOYSA-N 0 0 304.350 0.524 10 0 DCAERN Cn1nccc1CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000045680580 395764883 /nfs/dbraw/zinc/76/48/83/395764883.db2.gz FXFDACTVQMUEPA-UHFFFAOYSA-N 0 0 300.366 0.847 10 0 DCAERN COCCN(CC(F)F)S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000101582726 395765638 /nfs/dbraw/zinc/76/56/38/395765638.db2.gz XMVURIGLSASZQO-UHFFFAOYSA-N 0 0 322.333 0.688 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)CNC(C)=O)C2)c1 ZINC000102484690 395770441 /nfs/dbraw/zinc/77/04/41/395770441.db2.gz UVFLNCVWVXHSRX-CYBMUJFWSA-N 0 0 305.378 0.774 10 0 DCAERN CN(C)c1nc(N)nc(CN2CCC(c3ccnn3C)CC2)n1 ZINC000103473422 395773006 /nfs/dbraw/zinc/77/30/06/395773006.db2.gz HDZRKWLRTINATD-UHFFFAOYSA-N 0 0 316.413 0.633 10 0 DCAERN C[C@@H](O)C1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000111288419 395805953 /nfs/dbraw/zinc/80/59/53/395805953.db2.gz QPMAEMLITIJTPB-LLVKDONJSA-N 0 0 305.378 0.817 10 0 DCAERN CCCS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111345347 395807263 /nfs/dbraw/zinc/80/72/63/395807263.db2.gz JUCKPQPNLZNNBC-ZDUSSCGKSA-N 0 0 301.412 0.941 10 0 DCAERN CC(=O)NCCNC(=O)CCC(=O)NCc1cccc(C)n1 ZINC000111573165 395809468 /nfs/dbraw/zinc/80/94/68/395809468.db2.gz LXTUKJWJPSHYBC-UHFFFAOYSA-N 0 0 306.366 0.039 10 0 DCAERN CCCN1Cc2cccc(NC(=O)CN3CC(=O)NC3=O)c2C1 ZINC000111598467 395809825 /nfs/dbraw/zinc/80/98/25/395809825.db2.gz XYVZFRNHGOKQIC-UHFFFAOYSA-N 0 0 316.361 0.903 10 0 DCAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C(C)C ZINC000195043036 395814080 /nfs/dbraw/zinc/81/40/80/395814080.db2.gz UBYLKUIZFZCWQR-JTQLQIEISA-N 0 0 320.436 0.918 10 0 DCAERN O=C(CCNC(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000112661698 395820714 /nfs/dbraw/zinc/82/07/14/395820714.db2.gz VUFKQADWOUJFOY-JTQLQIEISA-N 0 0 319.390 0.591 10 0 DCAERN COc1ncccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112742663 395824028 /nfs/dbraw/zinc/82/40/28/395824028.db2.gz OTRKWQFUMISTPM-LLVKDONJSA-N 0 0 302.338 0.496 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCNC(=O)CC3)cnc2n1 ZINC000195324989 395824349 /nfs/dbraw/zinc/82/43/49/395824349.db2.gz SRIKACQEUOUPAV-UHFFFAOYSA-N 0 0 300.318 0.606 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000112890102 395825701 /nfs/dbraw/zinc/82/57/01/395825701.db2.gz JGWUNFVXTOJGGI-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN Cc1csc([C@H]2CN(Cc3nc(N)nc(N)n3)CCO2)n1 ZINC000195390703 395826247 /nfs/dbraw/zinc/82/62/47/395826247.db2.gz XOAXQUZXNWNNON-MRVPVSSYSA-N 0 0 307.383 0.374 10 0 DCAERN CCN(CC)C(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195429327 395826342 /nfs/dbraw/zinc/82/63/42/395826342.db2.gz AECKLARKZGXKNG-JTQLQIEISA-N 0 0 317.415 0.426 10 0 DCAERN NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCOC2)cc1 ZINC000113195986 395828655 /nfs/dbraw/zinc/82/86/55/395828655.db2.gz MDRGAXFDAPGSRJ-LBPRGKRZSA-N 0 0 312.391 0.562 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000195476154 395828774 /nfs/dbraw/zinc/82/87/74/395828774.db2.gz BHBLWJYBQSXHQB-SVRRBLITSA-N 0 0 320.802 0.185 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000113567113 395830588 /nfs/dbraw/zinc/83/05/88/395830588.db2.gz MGMWSHUQJRQACU-CABZTGNLSA-N 0 0 304.350 0.822 10 0 DCAERN CN(CCc1ccc(Cl)cc1)C(=O)CN1CC(=O)NC1=O ZINC000113443513 395830802 /nfs/dbraw/zinc/83/08/02/395830802.db2.gz LIWCLQXMDFSQRD-UHFFFAOYSA-N 0 0 309.753 0.893 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)CN1CCCC1=O ZINC000114294582 395833108 /nfs/dbraw/zinc/83/31/08/395833108.db2.gz LDSWKRRSHNQZGT-UHFFFAOYSA-N 0 0 310.375 0.959 10 0 DCAERN C[C@H](CNC(=O)NC[C@](C)(O)c1ccccc1)N1CCOCC1 ZINC000114518383 395835820 /nfs/dbraw/zinc/83/58/20/395835820.db2.gz CGSUXVHDYVMXGF-PBHICJAKSA-N 0 0 321.421 0.914 10 0 DCAERN Cc1n[nH]cc1CCCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000050183770 395837299 /nfs/dbraw/zinc/83/72/99/395837299.db2.gz OSOJSRPPFYDZKY-PHIMTYICSA-N 0 0 316.427 0.594 10 0 DCAERN COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000116682985 395844721 /nfs/dbraw/zinc/84/47/21/395844721.db2.gz SSLIOQAJUCMHMJ-AMXDTQDGSA-N 0 0 324.402 0.656 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000116836046 395847807 /nfs/dbraw/zinc/84/78/07/395847807.db2.gz PJZIZRHLBPPDPZ-NSHDSACASA-N 0 0 302.421 0.831 10 0 DCAERN NC(=O)c1nc(CNC(=O)[C@H](O)c2ccc(Cl)cc2)no1 ZINC000220442315 395848880 /nfs/dbraw/zinc/84/88/80/395848880.db2.gz UVBRTVCDEWTPOT-SECBINFHSA-N 0 0 310.697 0.172 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nn2cnc3ccccc32)C1 ZINC000116934679 395849582 /nfs/dbraw/zinc/84/95/82/395849582.db2.gz OWQBQKBDHAKYMN-SNVBAGLBSA-N 0 0 323.378 0.323 10 0 DCAERN COc1cccc(C(=O)NCCCNS(C)(=O)=O)c1O ZINC000220639324 395849800 /nfs/dbraw/zinc/84/98/00/395849800.db2.gz VTVMBLIUMJOEGX-UHFFFAOYSA-N 0 0 302.352 0.070 10 0 DCAERN COc1cccc(N2CCC[C@@H](NC(=O)CNC(C)=O)C2)c1 ZINC000117180079 395851261 /nfs/dbraw/zinc/85/12/61/395851261.db2.gz WVUQNQWUFRWPEC-CYBMUJFWSA-N 0 0 305.378 0.916 10 0 DCAERN COCCN1CCN(C(=O)NCCc2cccnc2)C[C@H]1C ZINC000117475026 395853231 /nfs/dbraw/zinc/85/32/31/395853231.db2.gz KEKXBDLEEXAPEY-CQSZACIVSA-N 0 0 306.410 0.986 10 0 DCAERN Cc1cc(C)c(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)c1 ZINC000225487481 395861499 /nfs/dbraw/zinc/86/14/99/395861499.db2.gz YPVBENCTWPVOBI-KRWDZBQOSA-N 0 0 304.390 0.993 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCc2ccc(OC)cc2)cn1 ZINC000194253329 395792069 /nfs/dbraw/zinc/79/20/69/395792069.db2.gz YRGCHVXMSXIOGJ-UHFFFAOYSA-N 0 0 317.349 0.959 10 0 DCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000270636656 395792256 /nfs/dbraw/zinc/79/22/56/395792256.db2.gz NLIAEUMQLJDUDG-QPUJVOFHSA-N 0 0 324.358 0.368 10 0 DCAERN CN(C)c1cccc(CCC(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000194483901 395798063 /nfs/dbraw/zinc/79/80/63/395798063.db2.gz JKXVVQIYWVAENB-CYBMUJFWSA-N 0 0 303.362 0.607 10 0 DCAERN O=C(NCCCCO)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000194560587 395799617 /nfs/dbraw/zinc/79/96/17/395799617.db2.gz PVLHYSHYSLGWQR-CYBMUJFWSA-N 0 0 306.366 0.649 10 0 DCAERN Cc1nn(CC(=O)NC[C@H]2CN(C)CCO2)c(C)c1Cl ZINC000194603514 395800561 /nfs/dbraw/zinc/80/05/61/395800561.db2.gz HXTSZSPDGYIFKH-NSHDSACASA-N 0 0 300.790 0.600 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000194615262 395801423 /nfs/dbraw/zinc/80/14/23/395801423.db2.gz PLQNOEDWKIPWBK-HNNXBMFYSA-N 0 0 300.362 0.933 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CC(CO)C1)c1ccc(F)cc1F ZINC000122494739 395887330 /nfs/dbraw/zinc/88/73/30/395887330.db2.gz OPAAKDPNANUTMF-AWEZNQCLSA-N 0 0 312.316 0.983 10 0 DCAERN O[C@H](COc1ccccc1)CN1CCN(Cc2cc[nH]n2)CC1 ZINC000122720897 395888624 /nfs/dbraw/zinc/88/86/24/395888624.db2.gz XWVRYCAQZUEIGZ-INIZCTEOSA-N 0 0 316.405 0.967 10 0 DCAERN CCCCCNC(=O)C1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000236747577 395897752 /nfs/dbraw/zinc/89/77/52/395897752.db2.gz QAUJJKCWVNUOOE-CQSZACIVSA-N 0 0 311.426 0.520 10 0 DCAERN CC(=O)N[C@H](CC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000133428389 395929825 /nfs/dbraw/zinc/92/98/25/395929825.db2.gz AQKUUZCYZQRJBY-LSDHHAIUSA-N 0 0 317.389 0.991 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000055007998 395909143 /nfs/dbraw/zinc/90/91/43/395909143.db2.gz LIWLNAPDODTGKQ-AWEZNQCLSA-N 0 0 323.437 0.960 10 0 DCAERN CS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CCN3)CC1 ZINC000237378673 395911057 /nfs/dbraw/zinc/91/10/57/395911057.db2.gz SAPBKSPKKODXQO-UHFFFAOYSA-N 0 0 323.418 0.808 10 0 DCAERN C[C@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)C[C@H](C)O1 ZINC000055290142 395916283 /nfs/dbraw/zinc/91/62/83/395916283.db2.gz ZHGCBRJGDKMDRI-RYUDHWBXSA-N 0 0 324.406 0.778 10 0 DCAERN Cc1ccc([C@H](CNC(=O)[C@@H]2COCCN2)N2CCOCC2)o1 ZINC000237623518 395916781 /nfs/dbraw/zinc/91/67/81/395916781.db2.gz GUNLVEHHVWLPGA-KBPBESRZSA-N 0 0 323.393 0.066 10 0 DCAERN O=S(=O)(C[C@H]1CCCO1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000245514907 395930862 /nfs/dbraw/zinc/93/08/62/395930862.db2.gz CLZDPPMHRLYFFN-MNOVXSKESA-N 0 0 300.384 0.841 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H]3CCO[C@@H]3C)CCO2)c1 ZINC000134470785 395931141 /nfs/dbraw/zinc/93/11/41/395931141.db2.gz ROCVFGUBODHTIO-RDBSUJKOSA-N 0 0 308.382 0.779 10 0 DCAERN O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ccc3nnnn3n2)C1 ZINC000225513786 395861842 /nfs/dbraw/zinc/86/18/42/395861842.db2.gz JBCNVBOMLKTLKB-RYUDHWBXSA-N 0 0 300.297 0.971 10 0 DCAERN CCS(=O)(=O)CCN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000118399789 395862124 /nfs/dbraw/zinc/86/21/24/395862124.db2.gz AYPRKFCPQDIOCW-SNVBAGLBSA-N 0 0 317.436 0.981 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](Cn3cccn3)C2)CCO1 ZINC000271420915 395864736 /nfs/dbraw/zinc/86/47/36/395864736.db2.gz ZJOZAVXHBWOWLM-RDBSUJKOSA-N 0 0 308.382 0.861 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CCC(O)CC1 ZINC000227565594 395869080 /nfs/dbraw/zinc/86/90/80/395869080.db2.gz UTNJNHMHYPORHL-MCIGGMRASA-N 0 0 304.412 0.078 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000132923215 395928369 /nfs/dbraw/zinc/92/83/69/395928369.db2.gz YFXFPFAYBKTKBC-VIFPVBQESA-N 0 0 316.354 0.982 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c1Cl ZINC000230149593 395878876 /nfs/dbraw/zinc/87/88/76/395878876.db2.gz PJFFVZUSZCYSAV-IUCAKERBSA-N 0 0 307.803 0.903 10 0 DCAERN O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1ccc(Cl)nc1 ZINC000232281716 395886024 /nfs/dbraw/zinc/88/60/24/395886024.db2.gz JZVOAFBOINIIGX-NXEZZACHSA-N 0 0 315.782 0.634 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)N3CCN(C)CC3)[C@@H]2C1 ZINC000245549207 395932242 /nfs/dbraw/zinc/93/22/42/395932242.db2.gz ZCIJUNJYDOZMKA-RBSFLKMASA-N 0 0 311.426 0.029 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000056916927 395935797 /nfs/dbraw/zinc/93/57/97/395935797.db2.gz HOGAOONEUQRGKQ-LLVKDONJSA-N 0 0 314.430 0.847 10 0 DCAERN CN(C(=O)[C@@]1(O)CCSC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000245776641 395936126 /nfs/dbraw/zinc/93/61/26/395936126.db2.gz UEFHJCVUFBNYEH-IUODEOHRSA-N 0 0 322.434 0.772 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000246090290 395940939 /nfs/dbraw/zinc/94/09/39/395940939.db2.gz JNABYHIIGWWKHT-STQMWFEESA-N 0 0 321.425 0.553 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000135574887 395941290 /nfs/dbraw/zinc/94/12/90/395941290.db2.gz CRPQKYGGHCUVNY-CQSZACIVSA-N 0 0 313.361 0.682 10 0 DCAERN COc1ncncc1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000135886124 395942901 /nfs/dbraw/zinc/94/29/01/395942901.db2.gz DHFGWIRQNSMAID-SNVBAGLBSA-N 0 0 303.326 0.946 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246242968 395944979 /nfs/dbraw/zinc/94/49/79/395944979.db2.gz XOMZVKSZGPODSX-GMTAPVOTSA-N 0 0 305.334 0.995 10 0 DCAERN CN(C(=O)c1cnn(C)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000136365024 395946000 /nfs/dbraw/zinc/94/60/00/395946000.db2.gz DGLACAUDMGVQJW-ZDUSSCGKSA-N 0 0 300.366 0.951 10 0 DCAERN CSCCCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136416715 395946627 /nfs/dbraw/zinc/94/66/27/395946627.db2.gz HLVKBLIYYHMHSL-UHFFFAOYSA-N 0 0 320.422 0.916 10 0 DCAERN OC[C@H]1CCCN1c1cc(N2CCO[C@]3(CCOC3)C2)ncn1 ZINC000274434501 395947735 /nfs/dbraw/zinc/94/77/35/395947735.db2.gz SNNVDJQLFVQELR-CZUORRHYSA-N 0 0 320.393 0.433 10 0 DCAERN O=C(C1CC(=O)C1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000136954013 395949432 /nfs/dbraw/zinc/94/94/32/395949432.db2.gz WJNXIHVGIQSGMR-MRXNPFEDSA-N 0 0 302.374 0.843 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000246442605 395949732 /nfs/dbraw/zinc/94/97/32/395949732.db2.gz BLPXQYXMQCDATE-AVGNSLFASA-N 0 0 318.439 0.325 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@@H](O)Cc2ccccc2)C1 ZINC000246469821 395950719 /nfs/dbraw/zinc/95/07/19/395950719.db2.gz QOKWNQYWUXXOCT-LSDHHAIUSA-N 0 0 307.394 0.220 10 0 DCAERN COC(=O)c1csc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000137286672 395951068 /nfs/dbraw/zinc/95/10/68/395951068.db2.gz VRLKCLHHCIRLKM-UHFFFAOYSA-N 0 0 305.381 0.011 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000246534260 395951950 /nfs/dbraw/zinc/95/19/50/395951950.db2.gz XBNSGOIMLAKCTL-YPMHNXCESA-N 0 0 306.428 0.325 10 0 DCAERN COC(=O)[C@H]1CN([C@H](C)C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000246535648 395951989 /nfs/dbraw/zinc/95/19/89/395951989.db2.gz PVTUHDWWGSCJDB-UMVBOHGHSA-N 0 0 320.389 0.954 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000246534256 395952115 /nfs/dbraw/zinc/95/21/15/395952115.db2.gz XBNSGOIMLAKCTL-DGCLKSJQSA-N 0 0 306.428 0.325 10 0 DCAERN CCOC(=O)C=C(NCC(N)=O)c1ccccc1OCCO ZINC000142639055 395959918 /nfs/dbraw/zinc/95/99/18/395959918.db2.gz ZYXXTEXIUNKNIE-XFXZXTDPSA-N 0 0 308.334 0.037 10 0 DCAERN COCCN(C)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cn1 ZINC000248906597 396000334 /nfs/dbraw/zinc/00/03/34/396000334.db2.gz WOWOQZBSLHQVHE-AWEZNQCLSA-N 0 0 319.409 0.374 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246959305 395961957 /nfs/dbraw/zinc/96/19/57/395961957.db2.gz SNGHKMKCBGGRIV-MELADBBJSA-N 0 0 300.399 0.407 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cn1 ZINC000274639215 395963956 /nfs/dbraw/zinc/96/39/56/395963956.db2.gz KAFOJVBFFUORQJ-NXEZZACHSA-N 0 0 313.379 0.239 10 0 DCAERN O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1c1nccs1 ZINC000247062016 395965357 /nfs/dbraw/zinc/96/53/57/395965357.db2.gz UMLNLLGEZDWAQY-CMPLNLGQSA-N 0 0 320.418 0.991 10 0 DCAERN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)NCC[C@H]12 ZINC000146943307 395965521 /nfs/dbraw/zinc/96/55/21/395965521.db2.gz PXSGENNEQDCLDS-OCCSQVGLSA-N 0 0 317.345 0.939 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)N(CC)CC)C[C@@H]1C ZINC000247120963 395966577 /nfs/dbraw/zinc/96/65/77/395966577.db2.gz NXRGTBMIBYWOKD-ZDUSSCGKSA-N 0 0 307.460 0.616 10 0 DCAERN Cc1cccc(OCC(=O)Nc2cn(C)c(=O)n(C)c2=O)c1 ZINC000150740775 395971653 /nfs/dbraw/zinc/97/16/53/395971653.db2.gz VOKSPGXPDHGHCT-UHFFFAOYSA-N 0 0 303.318 0.410 10 0 DCAERN Cn1cc(NC(=O)COc2ccccc2Cl)c(=O)n(C)c1=O ZINC000150742832 395971988 /nfs/dbraw/zinc/97/19/88/395971988.db2.gz RAMFOOIFEBXNRL-UHFFFAOYSA-N 0 0 323.736 0.755 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCCO[C@@H]1CCOC1 ZINC000150771900 395972617 /nfs/dbraw/zinc/97/26/17/395972617.db2.gz IOPWOEBOMKNSQR-ZIAGYGMSSA-N 0 0 312.410 0.945 10 0 DCAERN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC(=O)NC2=O)s1 ZINC000152146435 396000900 /nfs/dbraw/zinc/00/09/00/396000900.db2.gz NFHRCBUZJWHOGZ-SECBINFHSA-N 0 0 308.359 0.941 10 0 DCAERN CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000247452762 395974039 /nfs/dbraw/zinc/97/40/39/395974039.db2.gz QIZNTKTZLYAIJV-OZVIIMIRSA-N 0 0 324.425 0.648 10 0 DCAERN C[C@H]1CCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 ZINC000062927437 395974571 /nfs/dbraw/zinc/97/45/71/395974571.db2.gz ZIDICVBXHNHVRL-NSHDSACASA-N 0 0 303.366 0.779 10 0 DCAERN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC(CO)C1 ZINC000274789271 395977147 /nfs/dbraw/zinc/97/71/47/395977147.db2.gz PNNKTCMMFPTRHJ-UHFFFAOYSA-N 0 0 318.377 0.262 10 0 DCAERN COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(-c2cnn(C)c2)no1 ZINC000248981552 396001311 /nfs/dbraw/zinc/00/13/11/396001311.db2.gz VPGBXTGBOWELQQ-GWCFXTLKSA-N 0 0 306.322 0.183 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000151401655 395985037 /nfs/dbraw/zinc/98/50/37/395985037.db2.gz ZZRWZONUAFLJNC-SNVBAGLBSA-N 0 0 309.329 0.934 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)c3nccnc3N)C2)cn1 ZINC000151557854 395988501 /nfs/dbraw/zinc/98/85/01/395988501.db2.gz IZTTWAVCDOZAMP-JTQLQIEISA-N 0 0 301.354 0.191 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2sccc2Br)C1 ZINC000276305228 395989625 /nfs/dbraw/zinc/98/96/25/395989625.db2.gz BVAKCJRRXRZORV-JTQLQIEISA-N 0 0 319.180 0.573 10 0 DCAERN CN(C)C(=O)CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151685078 395990640 /nfs/dbraw/zinc/99/06/40/395990640.db2.gz FHNZMTDFSIAMER-UHFFFAOYSA-N 0 0 307.276 0.326 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NC[C@@]1(O)CCSC1 ZINC000248634195 395992388 /nfs/dbraw/zinc/99/23/88/395992388.db2.gz JMWKNIQXGXUMSW-JSGCOSHPSA-N 0 0 302.440 0.472 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C12CCOCC2 ZINC000248650075 395992885 /nfs/dbraw/zinc/99/28/85/395992885.db2.gz WJNVNIZOBWUJPK-BFHYXJOUSA-N 0 0 324.421 0.945 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000248650118 395993301 /nfs/dbraw/zinc/99/33/01/395993301.db2.gz RWKPKVOWDHDAOI-GFCCVEGCSA-N 0 0 304.412 0.848 10 0 DCAERN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCCCC(=O)N1 ZINC000248672182 395993905 /nfs/dbraw/zinc/99/39/05/395993905.db2.gz FUDGQWGSCSLVPQ-GMTAPVOTSA-N 0 0 304.412 0.325 10 0 DCAERN CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153282397 396023024 /nfs/dbraw/zinc/02/30/24/396023024.db2.gz XHGUCYAIFWRYQR-STQMWFEESA-N 0 0 302.440 0.943 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@H](C)CO)C1 ZINC000252698827 396023909 /nfs/dbraw/zinc/02/39/09/396023909.db2.gz PJQLGSCCWWNQAG-IJLUTSLNSA-N 0 0 322.427 0.113 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000153861716 396026170 /nfs/dbraw/zinc/02/61/70/396026170.db2.gz ODQVFPDYLQBPTD-GHMZBOCLSA-N 0 0 309.370 0.624 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1CO ZINC000253405816 396026878 /nfs/dbraw/zinc/02/68/78/396026878.db2.gz INDQTWJIFRIFMJ-GZMMTYOYSA-N 0 0 314.744 0.906 10 0 DCAERN COC[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccncc1 ZINC000253412785 396027670 /nfs/dbraw/zinc/02/76/70/396027670.db2.gz RZWIGVWCTGYXMN-HOTGVXAUSA-N 0 0 319.405 0.602 10 0 DCAERN CCc1ccccc1OCC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154128583 396032282 /nfs/dbraw/zinc/03/22/82/396032282.db2.gz HWIBYEYXFUWXLW-OAHLLOKOSA-N 0 0 322.405 0.437 10 0 DCAERN COCC(=O)N[C@@H]1CCC12CCN(S(=O)(=O)C(C)C)CC2 ZINC000257197069 396035930 /nfs/dbraw/zinc/03/59/30/396035930.db2.gz ZJKJYOJVSJCOAZ-GFCCVEGCSA-N 0 0 318.439 0.732 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)N1CCN(C2CC2)CC1 ZINC000154313365 396036618 /nfs/dbraw/zinc/03/66/18/396036618.db2.gz GLBHFBOYYFWGJE-UHFFFAOYSA-N 0 0 317.389 0.732 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)n1 ZINC000067866251 396037078 /nfs/dbraw/zinc/03/70/78/396037078.db2.gz AMFJRVURKSPTFI-MRVPVSSYSA-N 0 0 310.379 0.959 10 0 DCAERN CN(C)[C@H](CNC(=O)CNC(=O)c1cccnc1)c1ccco1 ZINC000154486152 396038438 /nfs/dbraw/zinc/03/84/38/396038438.db2.gz ODBWRKCFQCGCCH-CYBMUJFWSA-N 0 0 316.361 0.824 10 0 DCAERN CC(C)(CNC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(F)cc1 ZINC000155537395 396053691 /nfs/dbraw/zinc/05/36/91/396053691.db2.gz LTFYVYGCAIDSFS-NSHDSACASA-N 0 0 307.325 0.818 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000261673601 396054751 /nfs/dbraw/zinc/05/47/51/396054751.db2.gz HULXXPMELMMMFZ-ZDUSSCGKSA-N 0 0 314.345 0.565 10 0 DCAERN Cn1cnc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)c1 ZINC000261676208 396055464 /nfs/dbraw/zinc/05/54/64/396055464.db2.gz JNODSMHGWDKRMW-GFCCVEGCSA-N 0 0 307.379 0.150 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCCN(c2cccnn2)CC1 ZINC000155714173 396056461 /nfs/dbraw/zinc/05/64/61/396056461.db2.gz VSMMTBLZUAAWNM-GFCCVEGCSA-N 0 0 303.366 0.042 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000155851502 396058058 /nfs/dbraw/zinc/05/80/58/396058058.db2.gz FRNBFQDJUKEKPN-GHMZBOCLSA-N 0 0 301.350 0.969 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000261716196 396059316 /nfs/dbraw/zinc/05/93/16/396059316.db2.gz DVRAKFWWVYAHSV-OCCSQVGLSA-N 0 0 317.389 0.694 10 0 DCAERN CSCCN(C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000155968778 396059979 /nfs/dbraw/zinc/05/99/79/396059979.db2.gz IRVTZUKELAIERO-UHFFFAOYSA-N 0 0 306.409 0.965 10 0 DCAERN O=S1(=O)CC[C@H](c2nnc(I)o2)C1 ZINC000157928337 396064391 /nfs/dbraw/zinc/06/43/91/396064391.db2.gz GJYFEFOEVLXRPN-BYPYZUCNSA-N 0 0 314.104 0.576 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2ccncc2)C[C@@H](C)O1 ZINC000068960863 396067342 /nfs/dbraw/zinc/06/73/42/396067342.db2.gz IFEMBJAKMUILLM-CHWSQXEVSA-N 0 0 313.423 0.910 10 0 DCAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)NCC1CC1 ZINC000249104466 396002511 /nfs/dbraw/zinc/00/25/11/396002511.db2.gz WUYGQTGYRLNRHV-XQQFMLRXSA-N 0 0 308.378 0.845 10 0 DCAERN O=C1[C@H](N2C[C@@H](O)C[C@@H]2CO)CCCN1c1cccc(F)c1 ZINC000249284051 396005477 /nfs/dbraw/zinc/00/54/77/396005477.db2.gz HRYAWBJOBPKTKM-QLFBSQMISA-N 0 0 308.353 0.749 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1CCO ZINC000250092231 396013885 /nfs/dbraw/zinc/01/38/85/396013885.db2.gz QIMPSKXWCFVXQC-SWLSCSKDSA-N 0 0 318.373 0.293 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[C@H]1O ZINC000250965084 396016044 /nfs/dbraw/zinc/01/60/44/396016044.db2.gz ZOVFMGYRZWNKHU-IJLUTSLNSA-N 0 0 304.412 0.078 10 0 DCAERN CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CC1=O ZINC000152851515 396017009 /nfs/dbraw/zinc/01/70/09/396017009.db2.gz BVSURGVQBPVHDC-UHFFFAOYSA-N 0 0 320.740 0.230 10 0 DCAERN O=C(NC[C@@H]1CCc2nccn2C1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000276659257 396018962 /nfs/dbraw/zinc/01/89/62/396018962.db2.gz MKJSYKKBZOPTJM-NWDGAFQWSA-N 0 0 317.393 0.508 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)nn1 ZINC000163259818 396087090 /nfs/dbraw/zinc/08/70/90/396087090.db2.gz VLTARMVVVLLPOH-DGCLKSJQSA-N 0 0 321.381 0.007 10 0 DCAERN CC[NH+](CC)CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O ZINC000070460604 396101762 /nfs/dbraw/zinc/10/17/62/396101762.db2.gz WATAWWNNQZJMFD-UHFFFAOYSA-N 0 0 305.334 0.730 10 0 DCAERN COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000171047183 396104547 /nfs/dbraw/zinc/10/45/47/396104547.db2.gz ITSRWECSBIPYBH-GFJIZPEISA-N 0 0 312.410 0.849 10 0 DCAERN COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000171074107 396105263 /nfs/dbraw/zinc/10/52/63/396105263.db2.gz ZXAMDBPLDLUZEU-ZWNOBZJWSA-N 0 0 312.391 0.750 10 0 DCAERN Nc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000262269107 396116610 /nfs/dbraw/zinc/11/66/10/396116610.db2.gz UHZGKBPAIKQDEA-CQSZACIVSA-N 0 0 317.389 0.980 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171652412 396121669 /nfs/dbraw/zinc/12/16/69/396121669.db2.gz ZRCMTBVDHSYEBX-LBPRGKRZSA-N 0 0 318.377 0.385 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)n(C)n1 ZINC000278502294 396127769 /nfs/dbraw/zinc/12/77/69/396127769.db2.gz WYDXLVIOFVZJCD-RYUDHWBXSA-N 0 0 305.382 0.092 10 0 DCAERN O=C(CN(C[C@H]1CCCO1)C(=O)c1cnccn1)N1CCCC1 ZINC000072533921 396131778 /nfs/dbraw/zinc/13/17/78/396131778.db2.gz QZXNLYSEWOOXOR-CYBMUJFWSA-N 0 0 318.377 0.720 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)Nc3nncs3)CC2)no1 ZINC000174132598 396136929 /nfs/dbraw/zinc/13/69/29/396136929.db2.gz DSGMSRUZOQIGEH-UHFFFAOYSA-N 0 0 323.382 0.969 10 0 DCAERN Cc1cnc([C@@H](NC(=O)CN2CC(=O)NC2=O)C2CC2)s1 ZINC000174027653 396137275 /nfs/dbraw/zinc/13/72/75/396137275.db2.gz NMSCWKSYKNXRDS-NSHDSACASA-N 0 0 308.363 0.571 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174345388 396138187 /nfs/dbraw/zinc/13/81/87/396138187.db2.gz RGNKXMPFLMVFLC-MGPQQGTHSA-N 0 0 302.415 0.342 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCNC[C@@H]1c1cccnc1 ZINC000261874014 396074107 /nfs/dbraw/zinc/07/41/07/396074107.db2.gz SSENKXMPBBPFLK-TZMCWYRMSA-N 0 0 311.407 0.394 10 0 DCAERN [NH3+][C@H](C(=O)NC1CCN(c2ccccn2)CC1)C1CCOCC1 ZINC000261868492 396074359 /nfs/dbraw/zinc/07/43/59/396074359.db2.gz SUJXDMKWIGIDTK-INIZCTEOSA-N 0 0 318.421 0.921 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)CCC1=O ZINC000162944495 396084950 /nfs/dbraw/zinc/08/49/50/396084950.db2.gz DQQBVSWQOSNWER-LBPRGKRZSA-N 0 0 305.382 0.920 10 0 DCAERN CCS(=O)(=O)NCC(=O)NCCCc1nc(C(C)C)no1 ZINC000178715824 396205648 /nfs/dbraw/zinc/20/56/48/396205648.db2.gz ZBKNWABUZNVTEZ-UHFFFAOYSA-N 0 0 318.399 0.181 10 0 DCAERN CC(C)C[C@@H](CNS(=O)(=O)N1CCCC1)N1CCOCC1 ZINC000073770144 396150373 /nfs/dbraw/zinc/15/03/73/396150373.db2.gz NQFSLWKDTVVLAO-AWEZNQCLSA-N 0 0 319.471 0.664 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263269579 396210415 /nfs/dbraw/zinc/21/04/15/396210415.db2.gz RYYWIROVROVAGV-NWDGAFQWSA-N 0 0 317.380 0.994 10 0 DCAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@H]1COCCN1 ZINC000262672324 396170772 /nfs/dbraw/zinc/17/07/72/396170772.db2.gz PBBHAMRMJBRANN-CMPLNLGQSA-N 0 0 310.785 0.418 10 0 DCAERN O=C(CCNC(=O)[C@@H]1CCCc2n[nH]cc21)N1CCOCC1 ZINC000177296396 396170818 /nfs/dbraw/zinc/17/08/18/396170818.db2.gz PTEMPXVJMDSYEV-LLVKDONJSA-N 0 0 306.366 0.195 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000177303940 396171229 /nfs/dbraw/zinc/17/12/29/396171229.db2.gz NDGWVRLSNSZZLL-GFCCVEGCSA-N 0 0 319.409 0.110 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177519613 396177765 /nfs/dbraw/zinc/17/77/65/396177765.db2.gz SIEHDAWFSNPGBL-VXGBXAGGSA-N 0 0 314.411 0.490 10 0 DCAERN CC[C@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000075259603 396178610 /nfs/dbraw/zinc/17/86/10/396178610.db2.gz PRMDGVCZZSYKTE-WBMJQRKESA-N 0 0 307.394 0.516 10 0 DCAERN O=C(C[S@](=O)Cc1nnnn1C1CC1)NC1CCCCC1 ZINC000075471926 396180259 /nfs/dbraw/zinc/18/02/59/396180259.db2.gz LOWJSKSEOCCAFP-NRFANRHFSA-N 0 0 311.411 0.706 10 0 DCAERN CSCC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000178873175 396211487 /nfs/dbraw/zinc/21/14/87/396211487.db2.gz SABSUDSVUCYMAI-UHFFFAOYSA-N 0 0 308.450 0.814 10 0 DCAERN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)CO)cn1 ZINC000177789045 396184128 /nfs/dbraw/zinc/18/41/28/396184128.db2.gz HCZOUXZOZJCNGL-NEPJUHHUSA-N 0 0 322.409 0.999 10 0 DCAERN COc1ccc([C@H](O)CNC(=O)[C@@H]2CC(F)(F)CN2)cc1 ZINC000262942848 396193120 /nfs/dbraw/zinc/19/31/20/396193120.db2.gz IYCWUTMSYLRXOM-NWDGAFQWSA-N 0 0 300.305 0.842 10 0 DCAERN Cc1cc(CN2CCN(C(=O)[C@@H]3CC(F)(F)CN3)CC2)no1 ZINC000263049353 396199383 /nfs/dbraw/zinc/19/93/83/396199383.db2.gz UJOGVIGTNZZOOR-LBPRGKRZSA-N 0 0 314.336 0.624 10 0 DCAERN c1cn(CCCNc2ncnc3c2cnn3-c2ncccn2)nn1 ZINC000181367229 396239174 /nfs/dbraw/zinc/23/91/74/396239174.db2.gz PXYOIQLTIANINY-UHFFFAOYSA-N 0 0 322.336 0.699 10 0 DCAERN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181741013 396241568 /nfs/dbraw/zinc/24/15/68/396241568.db2.gz NBYXFFOJEJSDOK-NWDGAFQWSA-N 0 0 323.359 0.538 10 0 DCAERN C[C@H](O)C1CCN(CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181869267 396243312 /nfs/dbraw/zinc/24/33/12/396243312.db2.gz DUHAOHOBLQGHSK-NSHDSACASA-N 0 0 300.399 0.537 10 0 DCAERN CCN1CCO[C@H](C(=O)NCCCc2c(C)nn(C)c2C)C1 ZINC000182292238 396248442 /nfs/dbraw/zinc/24/84/42/396248442.db2.gz JMBLOVAHANFGJV-HNNXBMFYSA-N 0 0 308.426 0.806 10 0 DCAERN C[C@H](NC(=O)NCCCn1ccnn1)[C@@H](O)Cc1ccccc1 ZINC000182474167 396250852 /nfs/dbraw/zinc/25/08/52/396250852.db2.gz WDAXDRGLZSNZBF-ZFWWWQNUSA-N 0 0 317.393 0.960 10 0 DCAERN CCc1noc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000078657015 396251074 /nfs/dbraw/zinc/25/10/74/396251074.db2.gz WSQANDBGBDBUQO-GFCCVEGCSA-N 0 0 308.382 0.703 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C[S@](C)=O)C1 ZINC000182608251 396251578 /nfs/dbraw/zinc/25/15/78/396251578.db2.gz RLTOYUGXAAMFST-DCVWQXJKSA-N 0 0 317.455 0.844 10 0 DCAERN CNC(=O)[C@H](C)CN(C)C(=O)c1cnc2c(cnn2C)c1OC ZINC000182505664 396251672 /nfs/dbraw/zinc/25/16/72/396251672.db2.gz UXQJFUABUGMZIR-SECBINFHSA-N 0 0 319.365 0.431 10 0 DCAERN CCCCCN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000078774805 396253767 /nfs/dbraw/zinc/25/37/67/396253767.db2.gz FOVTTYFGXMPPDC-UHFFFAOYSA-N 0 0 305.444 0.371 10 0 DCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000078876548 396256056 /nfs/dbraw/zinc/25/60/56/396256056.db2.gz BWMFJEDLESCPNO-BFHYXJOUSA-N 0 0 310.394 0.509 10 0 DCAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCCn1ccnn1 ZINC000182990995 396258372 /nfs/dbraw/zinc/25/83/72/396258372.db2.gz XSGMWEVUMMNQLP-UHFFFAOYSA-N 0 0 315.337 0.795 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCc3ccccc3C2=O)CC(=O)N1C ZINC000282048985 396258416 /nfs/dbraw/zinc/25/84/16/396258416.db2.gz AKRVFWJLXFDPTM-GFCCVEGCSA-N 0 0 315.373 0.374 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCOCC1 ZINC000079022518 396259901 /nfs/dbraw/zinc/25/99/01/396259901.db2.gz SJZKADGOMFESCK-LBPRGKRZSA-N 0 0 304.412 0.486 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)CO2 ZINC000282068702 396260470 /nfs/dbraw/zinc/26/04/70/396260470.db2.gz BRJFJWOPVSZZKP-DGCLKSJQSA-N 0 0 318.373 0.935 10 0 DCAERN O=C(NC[C@H]1COC2(CCOCC2)O1)c1cnn2c1CCCC2 ZINC000183089728 396260715 /nfs/dbraw/zinc/26/07/15/396260715.db2.gz RKMUYTGHEUESRW-LBPRGKRZSA-N 0 0 321.377 0.871 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000079252489 396263228 /nfs/dbraw/zinc/26/32/28/396263228.db2.gz MTSZUQTUYUGBNS-TZMCWYRMSA-N 0 0 312.414 0.017 10 0 DCAERN CC(=O)N[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000079404328 396264237 /nfs/dbraw/zinc/26/42/37/396264237.db2.gz NCEZCOQHFRENMM-NSHDSACASA-N 0 0 307.375 0.736 10 0 DCAERN CNC(=O)c1ccc(N2CCC(C(=O)N(C)C(C)C)CC2)nn1 ZINC000080598329 396282642 /nfs/dbraw/zinc/28/26/42/396282642.db2.gz QHLKDIORXSEGBH-UHFFFAOYSA-N 0 0 319.409 0.919 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)c2ccccc2OC)CC1 ZINC000184060755 396282755 /nfs/dbraw/zinc/28/27/55/396282755.db2.gz AXJJVIIBMJQFLO-ZDUSSCGKSA-N 0 0 320.389 0.793 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)O1 ZINC000183618166 396271513 /nfs/dbraw/zinc/27/15/13/396271513.db2.gz RMRWSISGFDREMV-RISCZKNCSA-N 0 0 320.393 0.513 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)O1 ZINC000183618145 396271587 /nfs/dbraw/zinc/27/15/87/396271587.db2.gz RMRWSISGFDREMV-FZMZJTMJSA-N 0 0 320.393 0.513 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)ncn1 ZINC000183833631 396275834 /nfs/dbraw/zinc/27/58/34/396275834.db2.gz GMLFHXORNVOVKH-NWDGAFQWSA-N 0 0 306.366 0.701 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000282290640 396277657 /nfs/dbraw/zinc/27/76/57/396277657.db2.gz YJTGBEKKNZPMGJ-MFKMUULPSA-N 0 0 316.361 0.613 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000183936853 396278361 /nfs/dbraw/zinc/27/83/61/396278361.db2.gz IRMDQXJQTPJBCE-AWEZNQCLSA-N 0 0 317.455 0.370 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cc(C(=O)OC)co2)CC1 ZINC000183994053 396280013 /nfs/dbraw/zinc/28/00/13/396280013.db2.gz JGUCBAMEFJCTRE-LBPRGKRZSA-N 0 0 310.350 0.595 10 0 DCAERN COc1cccc([C@@H](O)CNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263318474 396213512 /nfs/dbraw/zinc/21/35/12/396213512.db2.gz ZVHLEYWLZZUUOA-NEPJUHHUSA-N 0 0 300.305 0.842 10 0 DCAERN CN(C)c1nccc(NCC2CCN(S(C)(=O)=O)CC2)n1 ZINC000077214498 396214846 /nfs/dbraw/zinc/21/48/46/396214846.db2.gz UJCDERPAVUGWLN-UHFFFAOYSA-N 0 0 313.427 0.626 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)C[C@@H](O)C(C)C)C2=O)n(C)n1 ZINC000178967426 396216939 /nfs/dbraw/zinc/21/69/39/396216939.db2.gz GWBRZZFUUICCPY-CHWSQXEVSA-N 0 0 322.409 0.747 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN([C@@H](CC)CO)CC2)C1 ZINC000179407244 396226408 /nfs/dbraw/zinc/22/64/08/396226408.db2.gz IUJLCIMSXVGGGE-KGLIPLIRSA-N 0 0 311.426 0.160 10 0 DCAERN Cc1noc(NC(=O)Cn2c(=O)onc2-c2cccs2)n1 ZINC000179820702 396230085 /nfs/dbraw/zinc/23/00/85/396230085.db2.gz CBMANDLFQNOYSJ-UHFFFAOYSA-N 0 0 307.291 0.895 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(C(N)=O)cn1 ZINC000180373806 396233186 /nfs/dbraw/zinc/23/31/86/396233186.db2.gz XXZALZNQNGMVPA-UHFFFAOYSA-N 0 0 315.377 0.893 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000184954097 396311967 /nfs/dbraw/zinc/31/19/67/396311967.db2.gz JSSUPSSJDJOHPD-FRRDWIJNSA-N 0 0 303.424 0.941 10 0 DCAERN Cc1cnc([C@H](C)NCC(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000185008466 396314346 /nfs/dbraw/zinc/31/43/46/396314346.db2.gz KXXILQQOECENCN-QWRGUYRKSA-N 0 0 310.423 0.826 10 0 DCAERN CNS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000083598144 396315370 /nfs/dbraw/zinc/31/53/70/396315370.db2.gz VZGZIFYKRTUHFQ-SSDOTTSWSA-N 0 0 303.409 0.756 10 0 DCAERN O=C(CNC(=O)Cc1cccc(F)c1)NCCCn1ccnn1 ZINC000185071762 396316207 /nfs/dbraw/zinc/31/62/07/396316207.db2.gz VPIQJHDLSHHSLN-UHFFFAOYSA-N 0 0 319.340 0.282 10 0 DCAERN Cc1noc([C@H]2COCCN2CC(=O)N(C)CC(F)(F)F)n1 ZINC000185078090 396316836 /nfs/dbraw/zinc/31/68/36/396316836.db2.gz GLPWJFUKWYTXKU-SECBINFHSA-N 0 0 322.287 0.772 10 0 DCAERN O=C(CNC(=O)c1cccc(Cl)c1)NCCCn1ccnn1 ZINC000185074252 396316842 /nfs/dbraw/zinc/31/68/42/396316842.db2.gz HJGPCNMWYYFQLK-UHFFFAOYSA-N 0 0 321.768 0.868 10 0 DCAERN O=C(CCCc1cccs1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856631 396317373 /nfs/dbraw/zinc/31/73/73/396317373.db2.gz VMWFTENETIVGPO-CQSZACIVSA-N 0 0 307.375 0.881 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCC(=O)Nc2ccccc21 ZINC000265436344 396317517 /nfs/dbraw/zinc/31/75/17/396317517.db2.gz JRYJCZJTQVXUOR-UHFFFAOYSA-N 0 0 315.329 0.901 10 0 DCAERN CC(C)c1ccc(CCNC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185144951 396319272 /nfs/dbraw/zinc/31/92/72/396319272.db2.gz LVGGXBPPYGETRA-SJORKVTESA-N 0 0 320.433 0.896 10 0 DCAERN NC(=O)C[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000080681995 396284241 /nfs/dbraw/zinc/28/42/41/396284241.db2.gz HSUGVILASKRLDX-SNVBAGLBSA-N 0 0 307.375 0.723 10 0 DCAERN COc1cc(N2CCN([C@@H](C)C(=O)NCC(C)C)CC2)ncn1 ZINC000184082252 396284806 /nfs/dbraw/zinc/28/48/06/396284806.db2.gz MJARFENSYBQZRB-ZDUSSCGKSA-N 0 0 321.425 0.768 10 0 DCAERN Cn1cc(CC(=O)N2CCN(c3cccs3)C(=O)C2)cn1 ZINC000184107913 396285354 /nfs/dbraw/zinc/28/53/54/396285354.db2.gz ADOJBFNTBOWXIG-UHFFFAOYSA-N 0 0 304.375 0.900 10 0 DCAERN COCCCOCC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184104021 396285369 /nfs/dbraw/zinc/28/53/69/396285369.db2.gz DPZPBRBNLIWTCA-UHFFFAOYSA-N 0 0 312.391 0.976 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000080726949 396285510 /nfs/dbraw/zinc/28/55/10/396285510.db2.gz MWUWCILZDMHOHJ-LLVKDONJSA-N 0 0 300.384 0.192 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC000081368007 396298239 /nfs/dbraw/zinc/29/82/39/396298239.db2.gz ADPHHDFGDXKBRU-FJJYHAOUSA-N 0 0 316.357 0.952 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)Cn1nc2ccccn2c1=O ZINC000184545858 396298452 /nfs/dbraw/zinc/29/84/52/396298452.db2.gz BHABLEYXPVATLZ-LBPRGKRZSA-N 0 0 306.366 0.361 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000184754307 396304715 /nfs/dbraw/zinc/30/47/15/396304715.db2.gz LYGWNRMSJOHSPJ-VXGBXAGGSA-N 0 0 318.439 0.430 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCC2(CO)CCCC2)c1 ZINC000185256431 396323115 /nfs/dbraw/zinc/32/31/15/396323115.db2.gz PHFJSLSUYDMRRA-UHFFFAOYSA-N 0 0 312.391 0.617 10 0 DCAERN Cc1nc(CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)no1 ZINC000185280580 396323580 /nfs/dbraw/zinc/32/35/80/396323580.db2.gz QWSQDXZZXIEGNQ-LLVKDONJSA-N 0 0 304.306 0.871 10 0 DCAERN O=C(NCc1cccnc1-n1cccn1)NC1(CO)CCC1 ZINC000185348442 396324990 /nfs/dbraw/zinc/32/49/90/396324990.db2.gz QUXVJIPKCNRINO-UHFFFAOYSA-N 0 0 301.350 0.982 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@@H](C)c2c(C)noc2C)C1 ZINC000185710065 396333516 /nfs/dbraw/zinc/33/35/16/396333516.db2.gz GREZYPVCHQQVFZ-SECBINFHSA-N 0 0 324.381 0.551 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCS1(=O)=O ZINC000265692405 396337436 /nfs/dbraw/zinc/33/74/36/396337436.db2.gz NRTQMWRJHDDMEM-SNVBAGLBSA-N 0 0 311.359 0.603 10 0 DCAERN C[C@@H](Cn1ccnc1)NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265708562 396338218 /nfs/dbraw/zinc/33/82/18/396338218.db2.gz VBYLUFUUFGEOFS-QWRGUYRKSA-N 0 0 300.384 0.100 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)CCS1(=O)=O ZINC000265715437 396339119 /nfs/dbraw/zinc/33/91/19/396339119.db2.gz WWMVIRHUULDAMR-LLVKDONJSA-N 0 0 307.375 0.522 10 0 DCAERN O=C(c1cccc(-n2cnnn2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000186058578 396340023 /nfs/dbraw/zinc/34/00/23/396340023.db2.gz JUGWOFGKSNBEHG-HNNXBMFYSA-N 0 0 315.333 0.294 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc21 ZINC000284167707 396345123 /nfs/dbraw/zinc/34/51/23/396345123.db2.gz RJJHHXRXOSQDFP-HUUCEWRRSA-N 0 0 315.377 0.513 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)s1 ZINC000284750404 396346296 /nfs/dbraw/zinc/34/62/96/396346296.db2.gz NUQFJAXRTUWCJX-LLVKDONJSA-N 0 0 304.393 0.057 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000265753857 396341422 /nfs/dbraw/zinc/34/14/22/396341422.db2.gz PTGRFTRJKKGGES-NEPJUHHUSA-N 0 0 315.381 0.905 10 0 DCAERN CNC(=O)CC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 ZINC000186629913 396353929 /nfs/dbraw/zinc/35/39/29/396353929.db2.gz UIRKCIMLKVDJFR-GFCCVEGCSA-N 0 0 305.378 0.916 10 0 DCAERN COCc1ccc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)o1 ZINC000186661994 396354718 /nfs/dbraw/zinc/35/47/18/396354718.db2.gz YQVDHRXAOAQJOI-LBPRGKRZSA-N 0 0 321.377 0.462 10 0 DCAERN O=C(c1ncncc1Cl)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186654564 396354947 /nfs/dbraw/zinc/35/49/47/396354947.db2.gz XJIGGWMHGAHXAN-JTQLQIEISA-N 0 0 323.784 0.166 10 0 DCAERN CN(CC1(c2ccccc2)CC1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000186753965 396357764 /nfs/dbraw/zinc/35/77/64/396357764.db2.gz GJTIOGNOPOGLNX-LBPRGKRZSA-N 0 0 301.346 0.775 10 0 DCAERN O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CC(CO)C1 ZINC000187824669 396374604 /nfs/dbraw/zinc/37/46/04/396374604.db2.gz CLBXJIJCLNGQJN-UHFFFAOYSA-N 0 0 305.359 0.756 10 0 DCAERN CC[C@@]1(CO)CCCN(C(=O)CNC(=O)c2cccnc2)C1 ZINC000187102325 396362872 /nfs/dbraw/zinc/36/28/72/396362872.db2.gz URJSFYIJTQDEOZ-MRXNPFEDSA-N 0 0 305.378 0.823 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NCc3ccco3)CC2)n[nH]1 ZINC000187267290 396365647 /nfs/dbraw/zinc/36/56/47/396365647.db2.gz DMOJWJORHDZQDC-UHFFFAOYSA-N 0 0 303.366 0.750 10 0 DCAERN Cc1cc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n[nH]1 ZINC000187256618 396365697 /nfs/dbraw/zinc/36/56/97/396365697.db2.gz CGWAMWYXLFPBJS-CYBMUJFWSA-N 0 0 307.398 0.135 10 0 DCAERN CCN(C)C(=O)CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000187539279 396371253 /nfs/dbraw/zinc/37/12/53/396371253.db2.gz UHSDPUWEROXPFX-UHFFFAOYSA-N 0 0 319.409 0.828 10 0 DCAERN Cc1noc(C)c1CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187711522 396373012 /nfs/dbraw/zinc/37/30/12/396373012.db2.gz ISEAXHVHNDBBMN-UHFFFAOYSA-N 0 0 313.317 0.895 10 0 DCAERN C[C@H](C(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1)S(C)(=O)=O ZINC000187722076 396373619 /nfs/dbraw/zinc/37/36/19/396373619.db2.gz PMULUFNXOGTZHB-JLLWLGSASA-N 0 0 317.432 0.716 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000285280854 396349006 /nfs/dbraw/zinc/34/90/06/396349006.db2.gz ZYSBVJQSHIUVIC-QWHCGFSZSA-N 0 0 303.355 0.737 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)CCn2cncn2)C12CCOCC2 ZINC000186469336 396350540 /nfs/dbraw/zinc/35/05/40/396350540.db2.gz BMUNHEHWBFNSTO-QWHCGFSZSA-N 0 0 308.382 0.759 10 0 DCAERN CCO[C@H]1C[C@H](NC(=O)CCn2cncn2)C12CCOCC2 ZINC000186469354 396350554 /nfs/dbraw/zinc/35/05/54/396350554.db2.gz BMUNHEHWBFNSTO-STQMWFEESA-N 0 0 308.382 0.759 10 0 DCAERN COCCN1CCCN(C(=O)NCCc2cccnc2)CC1=O ZINC000188565920 396383756 /nfs/dbraw/zinc/38/37/56/396383756.db2.gz AFDZZOJMQQXGMJ-UHFFFAOYSA-N 0 0 320.393 0.514 10 0 DCAERN COCCN1CCCN(C(=O)CSC(F)(F)F)CC1=O ZINC000189048082 396389981 /nfs/dbraw/zinc/38/99/81/396389981.db2.gz NQOWHSCAOFWNOX-UHFFFAOYSA-N 0 0 314.329 0.947 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)C12CCCC2 ZINC000189158900 396391218 /nfs/dbraw/zinc/39/12/18/396391218.db2.gz WWWXVVNRFLRIAM-APIJFGDWSA-N 0 0 324.421 0.822 10 0 DCAERN C[C@H](CO)N(C[C@H](C)O)C(=O)C[C@H]1C(=O)Nc2ccccc21 ZINC000189275722 396392874 /nfs/dbraw/zinc/39/28/74/396392874.db2.gz DZFYJDKMXKOXEE-NTZNESFSSA-N 0 0 306.362 0.703 10 0 DCAERN COCc1cccc(CNC(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189306895 396393178 /nfs/dbraw/zinc/39/31/78/396393178.db2.gz NRSDOCJWEMDOGI-CYBMUJFWSA-N 0 0 319.405 0.660 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000189649211 396397154 /nfs/dbraw/zinc/39/71/54/396397154.db2.gz VOTXENRGXLFQGJ-AWEZNQCLSA-N 0 0 318.421 0.908 10 0 DCAERN CS(=O)(=O)CCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189635000 396397171 /nfs/dbraw/zinc/39/71/71/396397171.db2.gz QBSKIGKGPIZCAW-UHFFFAOYSA-N 0 0 312.439 0.844 10 0 DCAERN Cc1nn(C)cc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000189707444 396397870 /nfs/dbraw/zinc/39/78/70/396397870.db2.gz UHHYOCNWYXURKU-SMDDNHRTSA-N 0 0 307.398 0.913 10 0 DCAERN CN1CCCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1=O ZINC000189750428 396398501 /nfs/dbraw/zinc/39/85/01/396398501.db2.gz UMTNSQDBKKBULY-UHFFFAOYSA-N 0 0 324.402 0.536 10 0 DCAERN Cc1cc(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)n[nH]1 ZINC000189767139 396399082 /nfs/dbraw/zinc/39/90/82/396399082.db2.gz DBENIBKVBLOOKA-UHFFFAOYSA-N 0 0 316.409 0.960 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000190288858 396404331 /nfs/dbraw/zinc/40/43/31/396404331.db2.gz DVAAQVXFFXCMRZ-GFCCVEGCSA-N 0 0 303.366 0.190 10 0 DCAERN C[C@H]1CCN(C(=O)NCc2cccnc2-n2cncn2)[C@H]1CO ZINC000190267109 396404429 /nfs/dbraw/zinc/40/44/29/396404429.db2.gz SKYUVZANCRWOQZ-AAEUAGOBSA-N 0 0 316.365 0.575 10 0 DCAERN CCN1CCCN(C(=O)CNC(=O)c2ccccc2C)CC1=O ZINC000190469419 396406342 /nfs/dbraw/zinc/40/63/42/396406342.db2.gz UOAITCGMMJVSMA-UHFFFAOYSA-N 0 0 317.389 0.806 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1Cl ZINC000190648855 396409663 /nfs/dbraw/zinc/40/96/63/396409663.db2.gz ZZOGXGKMVZRISH-IWSPIJDZSA-N 0 0 305.787 0.919 10 0 DCAERN CCc1nc(C2CCN([C@H](C)C(=O)NCC(=O)OC)CC2)n[nH]1 ZINC000190708678 396410370 /nfs/dbraw/zinc/41/03/70/396410370.db2.gz DFTJYAIUBCWWAT-SNVBAGLBSA-N 0 0 323.397 0.224 10 0 DCAERN Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000190753234 396410788 /nfs/dbraw/zinc/41/07/88/396410788.db2.gz XQKAFJNWGWDXFO-LBPRGKRZSA-N 0 0 316.365 0.555 10 0 DCAERN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000190837073 396411512 /nfs/dbraw/zinc/41/15/12/396411512.db2.gz JCOJXCFPACWADS-ZDUSSCGKSA-N 0 0 316.427 0.282 10 0 DCAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1noc2ccccc12 ZINC000190988946 396414001 /nfs/dbraw/zinc/41/40/01/396414001.db2.gz UBQZFFDORCVMQG-SNVBAGLBSA-N 0 0 323.374 0.868 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N1CCCN(C)C(=O)C1 ZINC000191045829 396414601 /nfs/dbraw/zinc/41/46/01/396414601.db2.gz NWGXYPOGPDVTPG-UHFFFAOYSA-N 0 0 303.362 0.933 10 0 DCAERN C[C@@]1(C(N)=O)CCCCN1Cc1nnnn1CC(F)(F)F ZINC000191057731 396414670 /nfs/dbraw/zinc/41/46/70/396414670.db2.gz NWTZYQXUHWNZSZ-JTQLQIEISA-N 0 0 306.292 0.465 10 0 DCAERN COCCN1CCCN(C(=O)Cn2nc(C)cc2C)CC1=O ZINC000191271306 396417403 /nfs/dbraw/zinc/41/74/03/396417403.db2.gz OPGWXDFDLOXYJZ-UHFFFAOYSA-N 0 0 308.382 0.207 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)CN1CC(=O)NC1=O ZINC000191445947 396419536 /nfs/dbraw/zinc/41/95/36/396419536.db2.gz FIZAOHOAXOLFHA-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)[nH]1 ZINC000191502699 396420299 /nfs/dbraw/zinc/42/02/99/396420299.db2.gz FPOKTXRKKXGWJG-LBPRGKRZSA-N 0 0 319.409 0.942 10 0 DCAERN O=S(=O)(c1ccc(N2CC(CO)C2)nc1)N1CCCCC1 ZINC000192179629 396430170 /nfs/dbraw/zinc/43/01/70/396430170.db2.gz IOULXTLCZPCZOV-UHFFFAOYSA-N 0 0 311.407 0.685 10 0 DCAERN CCCN(Cc1nc(N(C)C)no1)[C@H]1CCS(=O)(=O)C1 ZINC000192696998 396435681 /nfs/dbraw/zinc/43/56/81/396435681.db2.gz NCCVXNUGTIKIJT-JTQLQIEISA-N 0 0 302.400 0.535 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCN2CCOC[C@@H]2C)C1 ZINC000192812361 396438131 /nfs/dbraw/zinc/43/81/31/396438131.db2.gz INJUKTOCNRQAPU-FPMFFAJLSA-N 0 0 310.398 0.861 10 0 DCAERN CS(=O)(=O)N1CCN(c2nccnc2OC(F)F)CC1 ZINC000288032256 396438578 /nfs/dbraw/zinc/43/85/78/396438578.db2.gz CWTNIIQLWDYGKO-UHFFFAOYSA-N 0 0 308.310 0.160 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000192962441 396441202 /nfs/dbraw/zinc/44/12/02/396441202.db2.gz HFNSRPRXWFNBDA-NXEZZACHSA-N 0 0 302.338 0.501 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000193019113 396442322 /nfs/dbraw/zinc/44/23/22/396442322.db2.gz GAFDOOILGCFIGS-LLVKDONJSA-N 0 0 309.414 0.971 10 0 DCAERN CCN(C(=O)NCCS(=O)(=O)NC)[C@@H](C)c1cccnc1 ZINC000187878963 396375677 /nfs/dbraw/zinc/37/56/77/396375677.db2.gz NPDKZXIERWUZMT-NSHDSACASA-N 0 0 314.411 0.723 10 0 DCAERN C[C@@H](C(=O)Nc1nccs1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286116535 396375869 /nfs/dbraw/zinc/37/58/69/396375869.db2.gz WKQNQVJTTGNZPJ-AEJSXWLSSA-N 0 0 309.395 0.568 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCC1=O ZINC000187898214 396376280 /nfs/dbraw/zinc/37/62/80/396376280.db2.gz VULIBYBXOYVZLR-YPMHNXCESA-N 0 0 302.334 0.312 10 0 DCAERN C[S@](=O)CCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188066930 396378302 /nfs/dbraw/zinc/37/83/02/396378302.db2.gz RZFJSAUHBAWOSQ-NRFANRHFSA-N 0 0 310.423 0.704 10 0 DCAERN Cc1nccn1CCCCNC(=O)N1CCCN(C)C(=O)C1 ZINC000188182855 396379666 /nfs/dbraw/zinc/37/96/66/396379666.db2.gz UZCNOFYIPLARCE-UHFFFAOYSA-N 0 0 307.398 0.845 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCOCC[C@H]2C)cn1 ZINC000372191546 396496571 /nfs/dbraw/zinc/49/65/71/396496571.db2.gz JZOCCAUATRUWED-SNVBAGLBSA-N 0 0 313.379 0.241 10 0 DCAERN CC(C)(C)c1nnc2ccc(N3CCN4CCOC[C@@H]4C3)nn21 ZINC000372335836 396508840 /nfs/dbraw/zinc/50/88/40/396508840.db2.gz ARMKGJIZBFZRDD-LBPRGKRZSA-N 0 0 316.409 0.943 10 0 DCAERN CCn1nc(C)c(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CO)c1C ZINC000372419544 396516681 /nfs/dbraw/zinc/51/66/81/396516681.db2.gz CVKRAHFXHBSAEH-WDEREUQCSA-N 0 0 305.375 0.613 10 0 DCAERN CN(C)C(=O)CNC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193237955 396446697 /nfs/dbraw/zinc/44/66/97/396446697.db2.gz NABQLECIYTUQSO-NSHDSACASA-N 0 0 304.350 0.500 10 0 DCAERN CCCNC(=O)CNC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193262081 396447573 /nfs/dbraw/zinc/44/75/73/396447573.db2.gz LBBALPHACKXJSU-LBPRGKRZSA-N 0 0 318.377 0.938 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccoc1Br ZINC000193322747 396448952 /nfs/dbraw/zinc/44/89/52/396448952.db2.gz NGMHMPHRIJLTGD-LURJTMIESA-N 0 0 301.096 0.577 10 0 DCAERN O=S(=O)(N[C@H]1CCCOC1)c1cnn([C@H]2CCOC2)c1 ZINC000269822845 396449166 /nfs/dbraw/zinc/44/91/66/396449166.db2.gz YOBUFGCVFNYKNQ-QWRGUYRKSA-N 0 0 301.368 0.302 10 0 DCAERN CC(C)c1n[nH]cc1C(=O)NCCN1CCCS1(=O)=O ZINC000193493276 396452450 /nfs/dbraw/zinc/45/24/50/396452450.db2.gz IEPJSABUYVHGPY-UHFFFAOYSA-N 0 0 300.384 0.298 10 0 DCAERN COc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)c(OC)c1 ZINC000371789865 396476948 /nfs/dbraw/zinc/47/69/48/396476948.db2.gz UKHYBZYIDZJFQR-LBPRGKRZSA-N 0 0 306.362 0.860 10 0 DCAERN CCc1onc(C)c1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000371834641 396478084 /nfs/dbraw/zinc/47/80/84/396478084.db2.gz LSFKYBADRDRVCE-NSHDSACASA-N 0 0 322.365 0.027 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000371828974 396478107 /nfs/dbraw/zinc/47/81/07/396478107.db2.gz OPXIKAGLPHTFCK-HNNXBMFYSA-N 0 0 317.389 0.731 10 0 DCAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCN2CCOC[C@H]2C1 ZINC000371870767 396479447 /nfs/dbraw/zinc/47/94/47/396479447.db2.gz STVXAECXLRATLP-CQSZACIVSA-N 0 0 313.361 0.424 10 0 DCAERN Cn1cc(NC(=O)C2(c3ccccc3F)CC2)c(=O)n(C)c1=O ZINC000291375983 396486946 /nfs/dbraw/zinc/48/69/46/396486946.db2.gz BPRCWTVKHRCGIX-UHFFFAOYSA-N 0 0 317.320 0.893 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1cncnc1-n1cccn1 ZINC000291419214 396489334 /nfs/dbraw/zinc/48/93/34/396489334.db2.gz WSABLPJRKBMCID-LBPRGKRZSA-N 0 0 300.322 0.612 10 0 DCAERN O=C(NCCOCC1CCC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000581284632 396540948 /nfs/dbraw/zinc/54/09/48/396540948.db2.gz MDDSWYOBQUIWKU-GFCCVEGCSA-N 0 0 304.412 0.680 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000528481727 396555486 /nfs/dbraw/zinc/55/54/86/396555486.db2.gz AITLTCDSMJKLSY-KBPBESRZSA-N 0 0 313.375 0.707 10 0 DCAERN CN1CCN(C(=O)CCNC(=O)N2CCCC23CCC3)CC1 ZINC000373107074 396566500 /nfs/dbraw/zinc/56/65/00/396566500.db2.gz PEPLVPYNIRMVRY-UHFFFAOYSA-N 0 0 308.426 0.879 10 0 DCAERN NS(=O)(=O)CCCCNc1ncncc1Br ZINC000292807586 396569619 /nfs/dbraw/zinc/56/96/19/396569619.db2.gz NUJARRNSUAVSPF-UHFFFAOYSA-N 0 0 309.189 0.720 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccnc(C)c2Br)C1 ZINC000530412570 396577281 /nfs/dbraw/zinc/57/72/81/396577281.db2.gz RYWUWZQZNSZJLZ-UHFFFAOYSA-N 0 0 312.167 0.991 10 0 DCAERN O=C(COCC(F)(F)F)NCCCN1CCCS1(=O)=O ZINC000585734036 396651110 /nfs/dbraw/zinc/65/11/10/396651110.db2.gz NLSNYTVHDWSMGZ-UHFFFAOYSA-N 0 0 318.317 0.107 10 0 DCAERN CCCCO[C@@H](C)C(=O)NCCCN1CCCS1(=O)=O ZINC000585733368 396651210 /nfs/dbraw/zinc/65/12/10/396651210.db2.gz JDSHGFJSRFWZHK-LBPRGKRZSA-N 0 0 306.428 0.733 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cccc2c[nH]nc21 ZINC000585734984 396651516 /nfs/dbraw/zinc/65/15/16/396651516.db2.gz KRNFMEZZSUUVMU-UHFFFAOYSA-N 0 0 322.390 0.718 10 0 DCAERN C[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CCN1CC(F)(F)F ZINC000374273689 396652760 /nfs/dbraw/zinc/65/27/60/396652760.db2.gz NPJGQSFPROXRDZ-GWCFXTLKSA-N 0 0 321.343 0.998 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)N1CCC[C@H]1C ZINC000373637500 396604249 /nfs/dbraw/zinc/60/42/49/396604249.db2.gz ZHJFMBJZHQSOTC-LPWJVIDDSA-N 0 0 316.423 0.989 10 0 DCAERN CC1(C)CN(C(=O)CSCC(N)=O)C[C@]2(CCOC2)O1 ZINC000373694203 396607775 /nfs/dbraw/zinc/60/77/75/396607775.db2.gz GSKQTZXDDDKNNF-ZDUSSCGKSA-N 0 0 302.396 0.001 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000374132134 396641512 /nfs/dbraw/zinc/64/15/12/396641512.db2.gz LIBCPESLRXPTIS-XHJNMGKDSA-N 0 0 310.394 0.696 10 0 DCAERN Cc1cc(CNC(=O)NCCCN2CCCS2(=O)=O)on1 ZINC000586595318 396661406 /nfs/dbraw/zinc/66/14/06/396661406.db2.gz QKGLPKDIBVSIOJ-UHFFFAOYSA-N 0 0 316.383 0.208 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@H](CN2C(=O)CN(C3CCC3)C2=O)O1 ZINC000562407033 396662307 /nfs/dbraw/zinc/66/23/07/396662307.db2.gz WIXXBAOTYIEHOL-VXGBXAGGSA-N 0 0 309.366 0.439 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3c[nH]nc32)CCO1 ZINC000374436697 396664308 /nfs/dbraw/zinc/66/43/08/396664308.db2.gz LFDOVVADLKDWKH-QWRGUYRKSA-N 0 0 308.338 0.371 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000303536592 396725517 /nfs/dbraw/zinc/72/55/17/396725517.db2.gz IQSQYCDRQCVHIO-STQMWFEESA-N 0 0 313.427 0.892 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)NCc1ccncc1 ZINC000587122650 396671106 /nfs/dbraw/zinc/67/11/06/396671106.db2.gz CLFIRDIJMWMQMB-UHFFFAOYSA-N 0 0 312.395 0.306 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)C(=O)NCCCC1CC1)CC2 ZINC000588136156 396679885 /nfs/dbraw/zinc/67/98/85/396679885.db2.gz QQNLHHLLCQTLBT-ZDUSSCGKSA-N 0 0 319.409 0.572 10 0 DCAERN O=C(c1cc2c(s1)CCOC2)N1CCN2CCOC[C@H]2C1 ZINC000374931633 396699453 /nfs/dbraw/zinc/69/94/53/396699453.db2.gz URYKWFRTXKLDCM-GFCCVEGCSA-N 0 0 308.403 0.977 10 0 DCAERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](OCCO)C1 ZINC000375027151 396705269 /nfs/dbraw/zinc/70/52/69/396705269.db2.gz KGYXPINXZSJCTP-JSGCOSHPSA-N 0 0 322.409 0.980 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3cncn3)cc1)CC2 ZINC000589142864 396705315 /nfs/dbraw/zinc/70/53/15/396705315.db2.gz FQEYVZHBXRGESI-ZDUSSCGKSA-N 0 0 323.360 0.912 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000302796481 396723339 /nfs/dbraw/zinc/72/33/39/396723339.db2.gz CQWJYTRFUCVNIS-FDYHWXHSSA-N 0 0 318.439 0.130 10 0 DCAERN CN1CC[C@H](NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)C1=O ZINC000375603849 396779079 /nfs/dbraw/zinc/77/90/79/396779079.db2.gz SAUFYOMOYWVHKD-MNOVXSKESA-N 0 0 319.365 0.677 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCO[C@H](CC(N)=O)C2)cc1 ZINC000629403179 396745342 /nfs/dbraw/zinc/74/53/42/396745342.db2.gz SWTAEMHCTQGBDG-CQSZACIVSA-N 0 0 304.346 0.535 10 0 DCAERN C[C@@H](CNc1ncc(Br)s1)S(N)(=O)=O ZINC000306218676 396754227 /nfs/dbraw/zinc/75/42/27/396754227.db2.gz LNVBWFDRXKHIKN-BYPYZUCNSA-N 0 0 300.203 0.995 10 0 DCAERN CCOC(=O)C[C@H](O)CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312659504 396766628 /nfs/dbraw/zinc/76/66/28/396766628.db2.gz GROZUDVBKKPKPL-NEPJUHHUSA-N 0 0 307.412 0.057 10 0 DCAERN Cn1ncc(Br)c1C(=O)NCC[C@H](O)C(F)F ZINC000634003384 396769539 /nfs/dbraw/zinc/76/95/39/396769539.db2.gz WCRNJCMXWRYIAR-LURJTMIESA-N 0 0 312.114 0.929 10 0 DCAERN CN1C[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cncc(O)c2)C1=O ZINC000375588715 396776067 /nfs/dbraw/zinc/77/60/67/396776067.db2.gz WBMYQUMRFZEIPE-KOABKASLSA-N 0 0 301.346 0.880 10 0 DCAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)CN1CSCC1=O ZINC000328635184 396826566 /nfs/dbraw/zinc/82/65/66/396826566.db2.gz UQPMPAMUFGAQPB-NSHDSACASA-N 0 0 308.407 0.437 10 0 DCAERN O=C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328701321 396830341 /nfs/dbraw/zinc/83/03/41/396830341.db2.gz WOUKFAMTUHSNBN-XGUBFFRZSA-N 0 0 310.394 0.256 10 0 DCAERN CCn1cnnc1[C@@H]1CN(C[C@@H](O)COCC(C)C)CCO1 ZINC000328653087 396831670 /nfs/dbraw/zinc/83/16/70/396831670.db2.gz WSXXBJXODJWYDM-KGLIPLIRSA-N 0 0 312.414 0.705 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000375881138 396838454 /nfs/dbraw/zinc/83/84/54/396838454.db2.gz ZYLGOTULZHZCCF-XEZPLFJOSA-N 0 0 314.426 0.519 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000375916541 396845892 /nfs/dbraw/zinc/84/58/92/396845892.db2.gz BBNBTUSRXIOBHZ-JTQLQIEISA-N 0 0 312.272 0.373 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)CCS1(=O)=O ZINC000330280291 396855391 /nfs/dbraw/zinc/85/53/91/396855391.db2.gz SFMAHJXLXMFOOH-GHMZBOCLSA-N 0 0 311.425 0.004 10 0 DCAERN COC(=O)c1nn(CC(=O)NC2CCOCC2)c2c1CCCC2 ZINC000611495953 396875202 /nfs/dbraw/zinc/87/52/02/396875202.db2.gz PXJUOLIVCUJVGI-UHFFFAOYSA-N 0 0 321.377 0.844 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H]2C2CC2)CCS1(=O)=O ZINC000333037638 396916239 /nfs/dbraw/zinc/91/62/39/396916239.db2.gz XCCMEONCUSXGLQ-WXHSDQCUSA-N 0 0 316.423 0.773 10 0 DCAERN Cc1cc(C[C@H](C)N2C(=O)N[C@H]([C@@H]3CCCOC3)C2=O)[nH]n1 ZINC000570026065 396937218 /nfs/dbraw/zinc/93/72/18/396937218.db2.gz PONGTICURZCBPE-DMDPSCGWSA-N 0 0 306.366 0.996 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618674864 397009062 /nfs/dbraw/zinc/00/90/62/397009062.db2.gz ZSLOWNRMXJGEFF-SNVBAGLBSA-N 0 0 313.379 0.202 10 0 DCAERN COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)CC12CCC(CC1)C2 ZINC000571988982 397009846 /nfs/dbraw/zinc/00/98/46/397009846.db2.gz LDVCERBOAYVMCM-IQLKVPPVSA-N 0 0 319.423 0.799 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)CCN1S(C)(=O)=O ZINC000618678406 397011663 /nfs/dbraw/zinc/01/16/63/397011663.db2.gz CYXCUASGLVGEDG-LLVKDONJSA-N 0 0 324.402 0.823 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1ncnc2c1ncn2C ZINC000618686562 397012912 /nfs/dbraw/zinc/01/29/12/397012912.db2.gz BYNOMVZQRFUPTH-BDAKNGLRSA-N 0 0 320.353 0.232 10 0 DCAERN CCCOc1ncccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000377024146 397014635 /nfs/dbraw/zinc/01/46/35/397014635.db2.gz FQDQMQXWMZFVSB-ZIAGYGMSSA-N 0 0 321.377 0.468 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)c1ccco1 ZINC000618718658 397016870 /nfs/dbraw/zinc/01/68/70/397016870.db2.gz FWDYKNKIZFJOLJ-MXWKQRLJSA-N 0 0 310.350 0.956 10 0 DCAERN CC(=O)c1cc(CN2CCN(c3nccn(C)c3=O)CC2)on1 ZINC000572254714 397039614 /nfs/dbraw/zinc/03/96/14/397039614.db2.gz XHXVOIMEHFMGEG-UHFFFAOYSA-N 0 0 317.349 0.293 10 0 DCAERN CC(=O)N[C@@H](C(=O)N1CCC(OCCCO)CC1)C(C)C ZINC000626069584 397065924 /nfs/dbraw/zinc/06/59/24/397065924.db2.gz BDXIQFINLPUOOC-CQSZACIVSA-N 0 0 300.399 0.537 10 0 DCAERN CC(=O)c1ccccc1NC(=O)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626079462 397070219 /nfs/dbraw/zinc/07/02/19/397070219.db2.gz HFJNMVHHMIVYNC-LBPRGKRZSA-N 0 0 319.361 0.404 10 0 DCAERN C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)C1 ZINC000572690144 397083305 /nfs/dbraw/zinc/08/33/05/397083305.db2.gz OYTRWYBFMAZUIF-XHBSWPGZSA-N 0 0 323.393 0.782 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NCCOCC2CCC2)co1 ZINC000572691673 397084216 /nfs/dbraw/zinc/08/42/16/397084216.db2.gz GEORWHFSRYIAJU-UHFFFAOYSA-N 0 0 316.379 0.734 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H]2CNC(=O)c3ccccc32)[C@H](C)C1 ZINC000626138075 397086900 /nfs/dbraw/zinc/08/69/00/397086900.db2.gz ICQCGJGDYSGCKV-IAQYHMDHSA-N 0 0 315.373 0.593 10 0 DCAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C(N)=O)O1 ZINC000626181620 397105197 /nfs/dbraw/zinc/10/51/97/397105197.db2.gz RDUWMFKEYVUARV-UFBFGSQYSA-N 0 0 307.306 0.522 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCOC[C@H]1C(=O)NCC(=O)OCC ZINC000597638716 397041340 /nfs/dbraw/zinc/04/13/40/397041340.db2.gz FGVRYHCQYZKSED-UWUHSAQLSA-N 0 0 324.377 0.416 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CC(C)(C)O ZINC000625961270 397041403 /nfs/dbraw/zinc/04/14/03/397041403.db2.gz YCBXDTNJYHFFCB-UHFFFAOYSA-N 0 0 315.414 0.025 10 0 DCAERN COC(=O)[C@H](NC(=O)c1cccc2ncnn21)c1ccccn1 ZINC000612415874 397049029 /nfs/dbraw/zinc/04/90/29/397049029.db2.gz QTZNZLDQBZVOBY-CYBMUJFWSA-N 0 0 311.301 0.768 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000630573136 397050200 /nfs/dbraw/zinc/05/02/00/397050200.db2.gz ACZGGGZWZRWECJ-YUELXQCFSA-N 0 0 319.405 0.625 10 0 DCAERN C[C@H](C(=O)[O-])N(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000630574437 397050354 /nfs/dbraw/zinc/05/03/54/397050354.db2.gz PPCHGWIQZNFFIP-IUODEOHRSA-N 0 0 319.405 0.910 10 0 DCAERN O=C(c1ccccc1OC1CC1)N1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000377266400 397059128 /nfs/dbraw/zinc/05/91/28/397059128.db2.gz QNHMIVABCMFYMU-DZGCQCFKSA-N 0 0 316.357 0.957 10 0 DCAERN COC(=O)c1ccc(NC(=O)NCc2cn(C)nn2)cc1OC ZINC000619539706 397147270 /nfs/dbraw/zinc/14/72/70/397147270.db2.gz MXIVVYOQPQDAOT-UHFFFAOYSA-N 0 0 319.321 0.932 10 0 DCAERN Cn1cc(OCC(=O)N2CCC[C@@H]2CN2CCOCC2)cn1 ZINC000573340666 397159549 /nfs/dbraw/zinc/15/95/49/397159549.db2.gz XCIIFFVUZALRLH-CYBMUJFWSA-N 0 0 308.382 0.122 10 0 DCAERN CC(=O)N1CCC(Nc2c(F)cccc2S(N)(=O)=O)CC1 ZINC000631043076 397160135 /nfs/dbraw/zinc/16/01/35/397160135.db2.gz QNPHYGKWDILVJO-UHFFFAOYSA-N 0 0 315.370 0.896 10 0 DCAERN Cc1csc(NC(=O)CN2CCC[C@H](S(N)(=O)=O)C2)n1 ZINC000377913350 397164155 /nfs/dbraw/zinc/16/41/55/397164155.db2.gz MRGYECKEPVICBL-VIFPVBQESA-N 0 0 318.424 0.143 10 0 DCAERN CC(C)CCS(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377941166 397167218 /nfs/dbraw/zinc/16/72/18/397167218.db2.gz FVZIUWRYFQTMTL-ZDUSSCGKSA-N 0 0 318.439 0.732 10 0 DCAERN COC(=O)c1c(C)cccc1S(=O)(=O)N(C)CCCO ZINC000619683091 397174309 /nfs/dbraw/zinc/17/43/09/397174309.db2.gz SRXIHOJOGBPZRH-UHFFFAOYSA-N 0 0 301.364 0.785 10 0 DCAERN COC[C@@](C)(O)CNC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000572923421 397110985 /nfs/dbraw/zinc/11/09/85/397110985.db2.gz BWCYGLCBAUYELR-HNNXBMFYSA-N 0 0 307.350 0.942 10 0 DCAERN CC(=O)C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC000626234480 397116485 /nfs/dbraw/zinc/11/64/85/397116485.db2.gz YFNXHNAFFDOCHC-SSDOTTSWSA-N 0 0 316.354 0.879 10 0 DCAERN CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000597835106 397117876 /nfs/dbraw/zinc/11/78/76/397117876.db2.gz LVKFLFTWPPQIJU-YPMHNXCESA-N 0 0 303.362 0.823 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)C1 ZINC000598168530 397182570 /nfs/dbraw/zinc/18/25/70/397182570.db2.gz QCJOGXHBVINLAA-HNNXBMFYSA-N 0 0 312.366 0.082 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CCCCc1c[nH]nn1 ZINC000378059124 397187318 /nfs/dbraw/zinc/18/73/18/397187318.db2.gz YAEZQDJNLHHXKR-UKRRQHHQSA-N 0 0 321.425 0.839 10 0 DCAERN CCN1CC[C@@H](NC(=O)NCC2(SC)CCOCC2)C1=O ZINC000619802213 397195205 /nfs/dbraw/zinc/19/52/05/397195205.db2.gz UFMAAPTWEPCMPX-LLVKDONJSA-N 0 0 315.439 0.819 10 0 DCAERN CCOC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(CC)C2=O)o1 ZINC000619803642 397195856 /nfs/dbraw/zinc/19/58/56/397195856.db2.gz SKCFUBHLWYONRB-LLVKDONJSA-N 0 0 323.349 0.876 10 0 DCAERN CCN1CC[C@H](NC(=O)N2CCC3(C[C@@H]3C(=O)OC)CC2)C1=O ZINC000619829147 397197661 /nfs/dbraw/zinc/19/76/61/397197661.db2.gz AVKKJSBDZWHWEM-NEPJUHHUSA-N 0 0 323.393 0.592 10 0 DCAERN CCn1c(-c2cccnc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000573744428 397201664 /nfs/dbraw/zinc/20/16/64/397201664.db2.gz FQLQAYVWUPCDCS-CQSZACIVSA-N 0 0 314.393 0.881 10 0 DCAERN O=C(NCCCN1CCCCC1=O)N1CCN(C2CC2)CC1 ZINC000592536989 397204826 /nfs/dbraw/zinc/20/48/26/397204826.db2.gz BAEZRYIBVYKDNX-UHFFFAOYSA-N 0 0 308.426 0.879 10 0 DCAERN CCOC[C@@H]1CN(c2c(F)cccc2S(N)(=O)=O)CCO1 ZINC000631389665 397208078 /nfs/dbraw/zinc/20/80/78/397208078.db2.gz WESXSUVJYXSUKP-JTQLQIEISA-N 0 0 318.370 0.715 10 0 DCAERN O=S1(=O)CCCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000378344763 397231243 /nfs/dbraw/zinc/23/12/43/397231243.db2.gz CIAUSWVOIGCQTP-UHFFFAOYSA-N 0 0 306.391 0.888 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCCOCC(=O)OC(C)(C)C ZINC000601748646 397233353 /nfs/dbraw/zinc/23/33/53/397233353.db2.gz IIOBGBNYRXYICG-LBPRGKRZSA-N 0 0 314.382 0.472 10 0 DCAERN O=C(CNC(=O)C1(N2CCOCC2)CCC1)Nc1ccccc1 ZINC000378366729 397234503 /nfs/dbraw/zinc/23/45/03/397234503.db2.gz BNJAOXKHXRIUDY-UHFFFAOYSA-N 0 0 317.389 0.996 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000378460105 397243490 /nfs/dbraw/zinc/24/34/90/397243490.db2.gz UWXYHUFMPKPZIL-RYUDHWBXSA-N 0 0 305.382 0.366 10 0 DCAERN O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2ccc(CO)cc2)C1 ZINC000613521828 397273351 /nfs/dbraw/zinc/27/33/51/397273351.db2.gz UDEQGGDXIGJWEH-CQSZACIVSA-N 0 0 303.362 0.855 10 0 DCAERN CC[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1nccs1 ZINC000382380927 397273617 /nfs/dbraw/zinc/27/36/17/397273617.db2.gz RHDAGSGHICJSPJ-UWVGGRQHSA-N 0 0 305.425 0.502 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C ZINC000384802105 397281205 /nfs/dbraw/zinc/28/12/05/397281205.db2.gz YHTGIIPKQHKBHU-SFYZADRCSA-N 0 0 320.392 0.464 10 0 DCAERN CS[C@@H]1CCC[C@@H](NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)C1 ZINC000365463970 397284413 /nfs/dbraw/zinc/28/44/13/397284413.db2.gz MGGVXLGNQTVWQN-YVECIDJPSA-N 0 0 300.424 0.759 10 0 DCAERN CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)[C@H](C)O ZINC000386907994 397290774 /nfs/dbraw/zinc/29/07/74/397290774.db2.gz PQHDRUOIMIMZLS-JOYOIKCWSA-N 0 0 301.364 0.911 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@H](C)O1 ZINC000395105376 397309704 /nfs/dbraw/zinc/30/97/04/397309704.db2.gz OWKQLMFKUNTQJW-BKPPORCPSA-N 0 0 304.393 0.691 10 0 DCAERN O=C1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CCN1 ZINC000396696571 397310820 /nfs/dbraw/zinc/31/08/20/397310820.db2.gz GNQJZCMZGYHNMS-SECBINFHSA-N 0 0 304.318 0.912 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2COCCN2)CCN1Cc1ccccc1 ZINC000396398842 397311106 /nfs/dbraw/zinc/31/11/06/397311106.db2.gz WWAXTXRKCAUYCW-GOEBONIOSA-N 0 0 303.406 0.708 10 0 DCAERN Cc1cccc([C@H]2CCCN2C(=O)CN2CCOCC2=O)n1 ZINC000365751124 397311692 /nfs/dbraw/zinc/31/16/92/397311692.db2.gz ARTRVKTVWBHGNF-CQSZACIVSA-N 0 0 303.362 0.912 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC(n3ccnn3)C2)C1 ZINC000378546307 397254934 /nfs/dbraw/zinc/25/49/34/397254934.db2.gz GOJXOMHDJYSVSU-QWHCGFSZSA-N 0 0 319.409 0.946 10 0 DCAERN Cc1cccc([C@H]2C(=O)NCCN2C(=O)Cc2cnnn2C)c1 ZINC000620357707 397262932 /nfs/dbraw/zinc/26/29/32/397262932.db2.gz KKUFHJFPNSNGCR-HNNXBMFYSA-N 0 0 313.361 0.366 10 0 DCAERN Cn1cc(-c2ncccc2NC(=O)CN2CCOCC2=O)cn1 ZINC000365899066 397331417 /nfs/dbraw/zinc/33/14/17/397331417.db2.gz YLABIXBCJDICBV-UHFFFAOYSA-N 0 0 315.333 0.279 10 0 DCAERN CN(C)c1nc(CN2CCC[C@H](S(C)(=O)=O)C2)ns1 ZINC000407950290 397334161 /nfs/dbraw/zinc/33/41/61/397334161.db2.gz RFIKBHLJPQAUHT-VIFPVBQESA-N 0 0 304.441 0.613 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000407952562 397334835 /nfs/dbraw/zinc/33/48/35/397334835.db2.gz IGRRTGQFICNJKG-ZDUSSCGKSA-N 0 0 307.394 0.374 10 0 DCAERN COCC1(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)CCC1 ZINC000407953488 397334851 /nfs/dbraw/zinc/33/48/51/397334851.db2.gz LXEHLEVZJDMOTC-LLVKDONJSA-N 0 0 304.412 0.632 10 0 DCAERN O=C(c1ncoc1[C@H]1CCCO1)N1CCN(C2CC2)C(=O)C1 ZINC000407958006 397337135 /nfs/dbraw/zinc/33/71/35/397337135.db2.gz QGRRNNWPBVPZCZ-LLVKDONJSA-N 0 0 305.334 0.973 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)O1 ZINC000407959766 397337155 /nfs/dbraw/zinc/33/71/55/397337155.db2.gz SYZCFMHGJHEFRX-WDEREUQCSA-N 0 0 304.412 0.773 10 0 DCAERN CN1CCN(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1=O ZINC000407962651 397339047 /nfs/dbraw/zinc/33/90/47/397339047.db2.gz NNPQRQGAGLRIOS-KFWWJZLASA-N 0 0 323.437 0.303 10 0 DCAERN C[C@@H]1C[C@H](C)[C@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000407965399 397339931 /nfs/dbraw/zinc/33/99/31/397339931.db2.gz LYPNVLKWLJUKLW-GSKRZPMYSA-N 0 0 311.382 0.670 10 0 DCAERN C[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000366131461 397340823 /nfs/dbraw/zinc/34/08/23/397340823.db2.gz CXOMUSNSSRABGM-QJPTWQEYSA-N 0 0 304.412 0.630 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)N3CCCC3)[C@H]2C1 ZINC000407991342 397343522 /nfs/dbraw/zinc/34/35/22/397343522.db2.gz VBGBWFHCSUPKHH-FRRDWIJNSA-N 0 0 304.412 0.595 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000366169546 397346827 /nfs/dbraw/zinc/34/68/27/397346827.db2.gz IMSWNIRLWAZQJV-BXUZGUMPSA-N 0 0 314.407 0.016 10 0 DCAERN C[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H]1O ZINC000408095780 397347183 /nfs/dbraw/zinc/34/71/83/397347183.db2.gz QFXUXBRRYVTKHR-GHMZBOCLSA-N 0 0 309.366 0.080 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N(C)CC(F)(F)F ZINC000408151471 397348278 /nfs/dbraw/zinc/34/82/78/397348278.db2.gz QOBNUTZAWPOXGT-GWCFXTLKSA-N 0 0 321.343 0.998 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 ZINC000408430300 397356533 /nfs/dbraw/zinc/35/65/33/397356533.db2.gz RWRWHYIKDOIADF-NEPJUHHUSA-N 0 0 306.428 0.577 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)NCCOCC1CCC1 ZINC000577797681 397361910 /nfs/dbraw/zinc/36/19/10/397361910.db2.gz YYCMOBMUWFGOJR-INIZCTEOSA-N 0 0 308.378 0.532 10 0 DCAERN COc1ncc(Cl)c(N2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)n1 ZINC000621337050 397378824 /nfs/dbraw/zinc/37/88/24/397378824.db2.gz JXCAIOJOJFGXOV-OIBJUYFYSA-N 0 0 310.745 0.876 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)CCN1CCO ZINC000369046156 397431272 /nfs/dbraw/zinc/43/12/72/397431272.db2.gz DNETZNWVCCMVHZ-OLZOCXBDSA-N 0 0 306.410 0.050 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)CCN1CCO ZINC000369046153 397431305 /nfs/dbraw/zinc/43/13/05/397431305.db2.gz DNETZNWVCCMVHZ-CHWSQXEVSA-N 0 0 306.410 0.050 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(=O)n2nccc2[nH]1 ZINC000369042824 397431389 /nfs/dbraw/zinc/43/13/89/397431389.db2.gz XEFKMUJXNGTTDI-NVBFEUDRSA-N 0 0 316.361 0.796 10 0 DCAERN CCc1cnc(CNC(=O)N2CCN3CCOC[C@@H]3C2)s1 ZINC000366683128 397389519 /nfs/dbraw/zinc/38/95/19/397389519.db2.gz JURNJAQHPKRKDM-NSHDSACASA-N 0 0 310.423 0.932 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)C1 ZINC000621526536 397393813 /nfs/dbraw/zinc/39/38/13/397393813.db2.gz VNCPSFPLUYWKHD-FBIMIBRVSA-N 0 0 323.315 0.968 10 0 DCAERN O=C(NCCOCC(F)F)C(=O)Nc1ccc2nccn2c1 ZINC000578188139 397401792 /nfs/dbraw/zinc/40/17/92/397401792.db2.gz KWCAYMAJZUKMCK-UHFFFAOYSA-N 0 0 312.276 0.671 10 0 DCAERN NS(=O)(=O)CCNC(=O)c1cscc1C(F)(F)F ZINC000621617197 397404870 /nfs/dbraw/zinc/40/48/70/397404870.db2.gz ODNFMQINVNTWEO-UHFFFAOYSA-N 0 0 302.299 0.785 10 0 DCAERN CCO[C@H]1C[C@](NS(=O)(=O)NC(C)C)(C(=O)OC)C1(C)C ZINC000444280435 397415218 /nfs/dbraw/zinc/41/52/18/397415218.db2.gz HUWRCHJTJJUZSE-GWCFXTLKSA-N 0 0 322.427 0.566 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286200 397415506 /nfs/dbraw/zinc/41/55/06/397415506.db2.gz MHSIYAPSPFHOCH-JOYOIKCWSA-N 0 0 308.400 0.129 10 0 DCAERN O=C(COc1ccc(F)cc1F)N1CCN2CCOC[C@@H]2C1 ZINC000368324170 397418846 /nfs/dbraw/zinc/41/88/46/397418846.db2.gz NQBUDMBYVYBMSR-LBPRGKRZSA-N 0 0 312.316 0.887 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2cncc3ncnn32)CC1 ZINC000614523943 397464023 /nfs/dbraw/zinc/46/40/23/397464023.db2.gz RDTVHELBKLBFQT-UHFFFAOYSA-N 0 0 304.354 0.198 10 0 DCAERN COC(=O)[C@]1(C)CCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000614565998 397470732 /nfs/dbraw/zinc/47/07/32/397470732.db2.gz CPRGOMYYLZLMSG-ZDUSSCGKSA-N 0 0 313.379 0.546 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC000488310203 397488979 /nfs/dbraw/zinc/48/89/79/397488979.db2.gz GNGLAVKHNFWLRJ-SRVKXCTJSA-N 0 0 314.382 0.518 10 0 DCAERN O=C(CN1CCC[C@@](O)(Cn2ccnn2)C1)NCC1CCC1 ZINC000578796986 397486919 /nfs/dbraw/zinc/48/69/19/397486919.db2.gz FTCVIUOBKUMRNR-HNNXBMFYSA-N 0 0 307.398 0.021 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000370455449 397487338 /nfs/dbraw/zinc/48/73/38/397487338.db2.gz QRWAGNIWFBTVDR-ISTVAULSSA-N 0 0 309.366 0.127 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1oc(C)nc1C ZINC000488258967 397488259 /nfs/dbraw/zinc/48/82/59/397488259.db2.gz BLGLPUIDUBIZDA-BDAKNGLRSA-N 0 0 311.338 0.478 10 0 DCAERN Cc1noc(COCC(=O)N2CC[C@@H](Oc3ccccn3)C2)n1 ZINC000370545320 397499751 /nfs/dbraw/zinc/49/97/51/397499751.db2.gz DIDCAPCZOBFIJH-GFCCVEGCSA-N 0 0 318.333 0.970 10 0 DCAERN Cc1noc(COCC(=O)N2CC[C@H](Oc3ccccn3)C2)n1 ZINC000370545321 397499824 /nfs/dbraw/zinc/49/98/24/397499824.db2.gz DIDCAPCZOBFIJH-LBPRGKRZSA-N 0 0 318.333 0.970 10 0 DCAERN Cc1ncn(CC(=O)NC[C@H]2Cc3ccccc3O2)c(=O)c1C ZINC000579542789 397578263 /nfs/dbraw/zinc/57/82/63/397578263.db2.gz XAOXTEUPTYBIOK-CQSZACIVSA-N 0 0 313.357 0.980 10 0 DCAERN CC[C@H](C)CS(=O)(=O)NCCCN1CCCS1(=O)=O ZINC000603503593 397614508 /nfs/dbraw/zinc/61/45/08/397614508.db2.gz VCUAYNTYPNYAGC-NSHDSACASA-N 0 0 312.457 0.378 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCCN1C(=O)CCC1=O ZINC000603688615 397619481 /nfs/dbraw/zinc/61/94/81/397619481.db2.gz SSWWWJRZADFGDB-NSHDSACASA-N 0 0 317.345 0.070 10 0 DCAERN Cn1nnnc1SCCC(=O)Nc1ccc2nccn2c1 ZINC000603881560 397624823 /nfs/dbraw/zinc/62/48/23/397624823.db2.gz FEKGNTGWGQZTHE-UHFFFAOYSA-N 0 0 303.351 0.979 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)n1 ZINC000608246079 397723191 /nfs/dbraw/zinc/72/31/91/397723191.db2.gz BMOLPEATSXYKIU-BXUZGUMPSA-N 0 0 318.381 0.580 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)CCn3cccn3)CCO2)n1 ZINC000608246126 397723270 /nfs/dbraw/zinc/72/32/70/397723270.db2.gz HOUMHKVVLKPXQT-AWEZNQCLSA-N 0 0 318.381 0.409 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000606417082 397680680 /nfs/dbraw/zinc/68/06/80/397680680.db2.gz KSZJOMXHTBYODX-DTWKUNHWSA-N 0 0 324.410 0.260 10 0 DCAERN CCc1ocnc1C(=O)NCCCN1CCCS1(=O)=O ZINC000606839371 397688509 /nfs/dbraw/zinc/68/85/09/397688509.db2.gz LSNWFSXZAKLXNT-UHFFFAOYSA-N 0 0 301.368 0.392 10 0 DCAERN C[C@H](O)C[C@H](C)CNC(=O)NCCCN1CCCS1(=O)=O ZINC000607240196 397698912 /nfs/dbraw/zinc/69/89/12/397698912.db2.gz VBVWCENUPSXJKD-RYUDHWBXSA-N 0 0 321.443 0.118 10 0 DCAERN C[C@H](C(=O)NCCCN1CCCS1(=O)=O)c1ccco1 ZINC000607639451 397703586 /nfs/dbraw/zinc/70/35/86/397703586.db2.gz JOTLYBBIWXASNT-NSHDSACASA-N 0 0 300.380 0.925 10 0 DCAERN O=C(c1cn2cccnc2n1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000607928298 397707436 /nfs/dbraw/zinc/70/74/36/397707436.db2.gz PRNDJEQHZUFGBX-ZDUSSCGKSA-N 0 0 315.377 0.524 10 0 DCAERN COC(=O)[C@H](NC(=O)Cn1nc(C)cc1C)c1ccccn1 ZINC000610256248 397809845 /nfs/dbraw/zinc/80/98/45/397809845.db2.gz VNQCFKFTABVNEO-CQSZACIVSA-N 0 0 302.334 0.925 10 0 DCAERN CO[C@]1(C)C[C@H](NC(=O)[C@]2(O)CCCN(C(C)=O)C2)C1(C)C ZINC000408054994 286170904 /nfs/dbraw/zinc/17/09/04/286170904.db2.gz VVGTZUJXCRPUDT-MAZHCROVSA-N 0 0 312.410 0.680 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C1(C(=O)N(C)C)CC1)CC2 ZINC000408272342 286293840 /nfs/dbraw/zinc/29/38/40/286293840.db2.gz CEBRVDQPGVQIIL-CHWSQXEVSA-N 0 0 324.421 0.633 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000284604870 286337903 /nfs/dbraw/zinc/33/79/03/286337903.db2.gz SYMQKEOBZKBEDS-DZGCQCFKSA-N 0 0 306.362 0.946 10 0 DCAERN CCS(=O)(=O)C[C@H](C)N(C)Cc1nsc(N(C)C)n1 ZINC000163762600 286635884 /nfs/dbraw/zinc/63/58/84/286635884.db2.gz VOEADMFSFLOBRX-VIFPVBQESA-N 0 0 306.457 0.859 10 0 DCAERN Cc1cc(NC(=O)C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)no1 ZINC000049412021 158010598 /nfs/dbraw/zinc/01/05/98/158010598.db2.gz UQNYAPZHJAEWDR-NSHDSACASA-N 0 0 320.349 0.439 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000049240819 158010766 /nfs/dbraw/zinc/01/07/66/158010766.db2.gz DFSFCXHTKWCGIH-SNVBAGLBSA-N 0 0 304.318 0.864 10 0 DCAERN CSCCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000408092244 286662868 /nfs/dbraw/zinc/66/28/68/286662868.db2.gz KXERISQIWUTCQE-NSHDSACASA-N 0 0 306.453 0.071 10 0 DCAERN Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000053667921 158018063 /nfs/dbraw/zinc/01/80/63/158018063.db2.gz FBZQOWIPSDOKIH-GZMMTYOYSA-N 0 0 314.411 0.311 10 0 DCAERN C[C@H](NC(=O)CN(C)CCc1ccc(F)cc1)C(=O)N(C)C ZINC000055025155 158021127 /nfs/dbraw/zinc/02/11/27/158021127.db2.gz ONTRRTDIHHUJAP-LBPRGKRZSA-N 0 0 309.385 0.893 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000057014208 158024388 /nfs/dbraw/zinc/02/43/88/158024388.db2.gz MORWBKOSISDXKB-UHFFFAOYSA-N 0 0 312.395 0.036 10 0 DCAERN COC(=O)CN(CC(=O)NC1CCCCC1)CC(=O)OC ZINC000061876429 158029850 /nfs/dbraw/zinc/02/98/50/158029850.db2.gz XNQYWJCFDKHJLS-UHFFFAOYSA-N 0 0 300.355 0.083 10 0 DCAERN Cc1csc(=O)n1CCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000063768311 158031402 /nfs/dbraw/zinc/03/14/02/158031402.db2.gz SVPDHOGNIGMHCU-GXSJLCMTSA-N 0 0 311.407 0.721 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCNC(=O)CC1)c1ccccc1 ZINC000065903457 158034177 /nfs/dbraw/zinc/03/41/77/158034177.db2.gz LOIPQZXLZUWFLF-CQSZACIVSA-N 0 0 303.362 0.602 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000068100625 158042196 /nfs/dbraw/zinc/04/21/96/158042196.db2.gz PENBYGKSTXAHLA-MFKMUULPSA-N 0 0 318.377 0.581 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068286334 158042569 /nfs/dbraw/zinc/04/25/69/158042569.db2.gz IFDFDQTWHTVERH-PWSUYJOCSA-N 0 0 317.389 0.980 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCSC2)cc1 ZINC000070438428 158047798 /nfs/dbraw/zinc/04/77/98/158047798.db2.gz IKZBCTUZVRKISP-SNVBAGLBSA-N 0 0 300.405 0.703 10 0 DCAERN Cc1noc(COCC(=O)N2CCC(n3ccnc3)CC2)n1 ZINC000072571987 158051100 /nfs/dbraw/zinc/05/11/00/158051100.db2.gz CHBXWQJMOWCPQA-UHFFFAOYSA-N 0 0 305.338 0.955 10 0 DCAERN CC(C)(NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)C(N)=O ZINC000073027397 158053464 /nfs/dbraw/zinc/05/34/64/158053464.db2.gz ZBOZQGHMGFZENJ-NSHDSACASA-N 0 0 324.425 0.731 10 0 DCAERN CSCC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000073688869 158055899 /nfs/dbraw/zinc/05/58/99/158055899.db2.gz OOPGGKDWWQMJHP-AWEZNQCLSA-N 0 0 307.419 0.720 10 0 DCAERN CC(=O)NCC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000074350870 158058287 /nfs/dbraw/zinc/05/82/87/158058287.db2.gz TZWLACRVAOTYQU-UHFFFAOYSA-N 0 0 308.338 0.296 10 0 DCAERN Cc1n[nH]c(C)c1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000074716105 158059162 /nfs/dbraw/zinc/05/91/62/158059162.db2.gz SAFHFVCTFPDERF-UHFFFAOYSA-N 0 0 322.390 0.533 10 0 DCAERN CCCS(=O)(=O)N1CCCN(C(=O)c2ccncc2)CC1 ZINC000075018683 158060780 /nfs/dbraw/zinc/06/07/80/158060780.db2.gz VWTHDPRLKLZNJA-UHFFFAOYSA-N 0 0 311.407 0.969 10 0 DCAERN Cn1cccc(NC(=O)NCCNC(=O)c2ccccc2)c1=O ZINC000076328528 158065511 /nfs/dbraw/zinc/06/55/11/158065511.db2.gz KTAKRQWDLWJJFB-UHFFFAOYSA-N 0 0 314.345 0.937 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000077365982 158068005 /nfs/dbraw/zinc/06/80/05/158068005.db2.gz YOTZNDKRHNYWHO-CHWSQXEVSA-N 0 0 309.410 0.176 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCCn2cccn2)c1 ZINC000077607814 158068898 /nfs/dbraw/zinc/06/88/98/158068898.db2.gz DOMLMFGFWXNCCA-UHFFFAOYSA-N 0 0 308.363 0.351 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000077747404 158070217 /nfs/dbraw/zinc/07/02/17/158070217.db2.gz DHZGTASJWIMJPA-GMSGAONNSA-N 0 0 304.285 0.265 10 0 DCAERN Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C(=O)CNC2=O)s1 ZINC000078693190 158073994 /nfs/dbraw/zinc/07/39/94/158073994.db2.gz OACLXBPMBDNSTI-ZJUUUORDSA-N 0 0 307.375 0.828 10 0 DCAERN CCCN(CCO)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000079548580 158078501 /nfs/dbraw/zinc/07/85/01/158078501.db2.gz AFOLMLHXJWCCDR-ZDUSSCGKSA-N 0 0 307.398 0.859 10 0 DCAERN O=C(CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)N1CCCC1 ZINC000081475112 158083570 /nfs/dbraw/zinc/08/35/70/158083570.db2.gz BFXCMUSHIKOMNF-NSHDSACASA-N 0 0 309.288 0.318 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000081486860 158084600 /nfs/dbraw/zinc/08/46/00/158084600.db2.gz AEGFKFDCMOHUCJ-BXKDBHETSA-N 0 0 323.315 0.706 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000083700423 158087903 /nfs/dbraw/zinc/08/79/03/158087903.db2.gz QVLZPOLZBDVAAX-YPMHNXCESA-N 0 0 322.413 0.441 10 0 DCAERN C[C@](O)(CO)CNC(=O)COc1cccc(Br)c1 ZINC000090285377 158103230 /nfs/dbraw/zinc/10/32/30/158103230.db2.gz DTWJHONHSKACLO-GFCCVEGCSA-N 0 0 318.167 0.687 10 0 DCAERN CSC[C@@](C)(O)CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000091058224 158106406 /nfs/dbraw/zinc/10/64/06/158106406.db2.gz RSAYMQXNMOQGOB-HNNXBMFYSA-N 0 0 321.402 0.847 10 0 DCAERN CCOc1ccccc1CCC(=O)N1CCOC[C@H]1C(N)=O ZINC000091782377 158109175 /nfs/dbraw/zinc/10/91/75/158109175.db2.gz IRHSJNVAMUYSPK-ZDUSSCGKSA-N 0 0 306.362 0.731 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](CO)C(C)C ZINC000092407426 158113721 /nfs/dbraw/zinc/11/37/21/158113721.db2.gz XJTSTRWZZVGWAR-SNVBAGLBSA-N 0 0 319.379 0.978 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(Cc2nnc(C)n2CC)C1 ZINC000092842590 158117191 /nfs/dbraw/zinc/11/71/91/158117191.db2.gz VRDBBASWEOIRME-NSHDSACASA-N 0 0 301.416 0.120 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@H](c3ccsc3)C2)CC1 ZINC000093189408 158118738 /nfs/dbraw/zinc/11/87/38/158118738.db2.gz SGBSQKDNFDXFOI-AWEZNQCLSA-N 0 0 309.435 0.895 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NCCc2ccccn2)c1 ZINC000096996767 158124425 /nfs/dbraw/zinc/12/44/25/158124425.db2.gz ALVOGOKADGFXMX-UHFFFAOYSA-N 0 0 305.359 0.702 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000103719684 158128498 /nfs/dbraw/zinc/12/84/98/158128498.db2.gz CFQRZVDBPDNDQT-UHFFFAOYSA-N 0 0 315.264 0.580 10 0 DCAERN Cc1c(C(=O)N2CCCN(c3cccnn3)CC2)cnn1C ZINC000105810617 158130913 /nfs/dbraw/zinc/13/09/13/158130913.db2.gz VQOSEQHULSCJRI-UHFFFAOYSA-N 0 0 300.366 0.871 10 0 DCAERN C[C@@H]1CCC[C@H](CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000110684443 158138803 /nfs/dbraw/zinc/13/88/03/158138803.db2.gz IPYMHIITZDPVRJ-NEPJUHHUSA-N 0 0 303.428 0.551 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648332 158142219 /nfs/dbraw/zinc/14/22/19/158142219.db2.gz VFDHFXPLLAICDM-UWVGGRQHSA-N 0 0 309.395 0.021 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112744024 158144312 /nfs/dbraw/zinc/14/43/12/158144312.db2.gz PRGCWFKTCXJKRR-GFCCVEGCSA-N 0 0 322.413 0.541 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N2CCNC(=O)CC2)CCCC1 ZINC000113631369 158149267 /nfs/dbraw/zinc/14/92/67/158149267.db2.gz MYEKZDAAGHFRSB-UHFFFAOYSA-N 0 0 310.398 0.167 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)CCC(C)C)CC2 ZINC000114863823 158157944 /nfs/dbraw/zinc/15/79/44/158157944.db2.gz ISLGMPCOVIWJDD-LBPRGKRZSA-N 0 0 321.425 0.824 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cn1nc(C)cc1C)CC2 ZINC000114863214 158158005 /nfs/dbraw/zinc/15/80/05/158158005.db2.gz ANGZORIJIMEIRV-LBPRGKRZSA-N 0 0 302.382 0.785 10 0 DCAERN O=C(CCNC(=O)c1ccco1)NC[C@H]1CN(C2CC2)CCO1 ZINC000114854357 158158078 /nfs/dbraw/zinc/15/80/78/158158078.db2.gz OSNPUDORYJNOPE-ZDUSSCGKSA-N 0 0 321.377 0.379 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCC(=O)NC(C)C)CC2 ZINC000114866550 158158917 /nfs/dbraw/zinc/15/89/17/158158917.db2.gz CBRVMJKEFVWDBK-LBPRGKRZSA-N 0 0 321.425 0.966 10 0 DCAERN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCCC1 ZINC000115632828 158163225 /nfs/dbraw/zinc/16/32/25/158163225.db2.gz TWXDHRJCDIPIPF-UHFFFAOYSA-N 0 0 308.426 0.736 10 0 DCAERN CCc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)n(C)n1 ZINC000116079917 158164419 /nfs/dbraw/zinc/16/44/19/158164419.db2.gz KEHBXCDSOOHCHU-UHFFFAOYSA-N 0 0 315.337 0.065 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)Nc2cnn(CC(F)F)c2)C1=O ZINC000116842979 158166613 /nfs/dbraw/zinc/16/66/13/158166613.db2.gz ZRRWRUNSRORWDC-UHFFFAOYSA-N 0 0 315.280 0.417 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC000116830897 158167627 /nfs/dbraw/zinc/16/76/27/158167627.db2.gz SGQPHMPBMCSHRZ-NWDGAFQWSA-N 0 0 304.412 0.486 10 0 DCAERN O=C(COC[C@@H]1CCOC1)NCc1cccnc1-n1ccnc1 ZINC000117752002 158173256 /nfs/dbraw/zinc/17/32/56/158173256.db2.gz FPALWXXMWWOWIP-CYBMUJFWSA-N 0 0 316.361 0.937 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N[C@@H](C(N)=O)C(C)(C)C)C1 ZINC000117919379 158174711 /nfs/dbraw/zinc/17/47/11/158174711.db2.gz NSHTVWVIIVRHIA-AXFHLTTASA-N 0 0 305.444 0.699 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000120182739 158194823 /nfs/dbraw/zinc/19/48/23/158194823.db2.gz DGQCZWNJVPNMIO-STQMWFEESA-N 0 0 306.428 0.342 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000120481122 158199084 /nfs/dbraw/zinc/19/90/84/158199084.db2.gz ZOPDVBOOIODEBP-ZJUUUORDSA-N 0 0 300.380 0.940 10 0 DCAERN COCCN1CCN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CC1=O ZINC000120870704 158205028 /nfs/dbraw/zinc/20/50/28/158205028.db2.gz LEYQVXRQHPHERB-LRDDRELGSA-N 0 0 318.373 0.868 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000121027628 158206820 /nfs/dbraw/zinc/20/68/20/158206820.db2.gz LFQOCJPLQOITLV-HNNXBMFYSA-N 0 0 319.453 0.948 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCCCC(=O)NC1CC1 ZINC000121329127 158209020 /nfs/dbraw/zinc/20/90/20/158209020.db2.gz HJQZVOIRKFXETB-UHFFFAOYSA-N 0 0 312.414 0.601 10 0 DCAERN O=C(NCCN1CCOCC1)N1CCC(Cn2cccn2)CC1 ZINC000122393199 158221022 /nfs/dbraw/zinc/22/10/22/158221022.db2.gz CYPYUCOMSKWQML-UHFFFAOYSA-N 0 0 321.425 0.637 10 0 DCAERN CCN1CCN(C(=O)N[C@@H]2CCCn3nc(COC)nc32)CC1 ZINC000122545579 158221892 /nfs/dbraw/zinc/22/18/92/158221892.db2.gz FOTUGVTZNLDYHP-GFCCVEGCSA-N 0 0 322.413 0.607 10 0 DCAERN COCCOCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000122955192 158225022 /nfs/dbraw/zinc/22/50/22/158225022.db2.gz NTPRASFEKRTRJQ-UHFFFAOYSA-N 0 0 308.338 0.621 10 0 DCAERN CCN(CCCNC(=O)c1c[nH]c(=O)cc1C)S(C)(=O)=O ZINC000123127171 158227470 /nfs/dbraw/zinc/22/74/70/158227470.db2.gz OIKNTCHTDUFTGW-UHFFFAOYSA-N 0 0 315.395 0.085 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000123641302 158233395 /nfs/dbraw/zinc/23/33/95/158233395.db2.gz AICWCJVBJYTHGG-GXTWGEPZSA-N 0 0 317.455 0.416 10 0 DCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000125157038 158252435 /nfs/dbraw/zinc/25/24/35/158252435.db2.gz CPXGPWIXCWHOCR-LLVKDONJSA-N 0 0 311.407 0.941 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000125721677 158259167 /nfs/dbraw/zinc/25/91/67/158259167.db2.gz PPUVCOASJXNEOV-JTQLQIEISA-N 0 0 309.332 0.998 10 0 DCAERN C[C@@H]1CN(C(=O)NCCOC2CCCC2)CCS1(=O)=O ZINC000125787313 158259424 /nfs/dbraw/zinc/25/94/24/158259424.db2.gz XSCSSVSUXXXFGA-LLVKDONJSA-N 0 0 304.412 0.774 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000125868180 158261123 /nfs/dbraw/zinc/26/11/23/158261123.db2.gz YLQLFQKXBRGZAF-OUAUKWLOSA-N 0 0 322.427 0.660 10 0 DCAERN CC(C)[C@@H](NC(=O)NCC(F)(F)F)C(=O)N1CCOCC1 ZINC000126314954 158265269 /nfs/dbraw/zinc/26/52/69/158265269.db2.gz QMEBYINGSAIPMP-SECBINFHSA-N 0 0 311.304 0.731 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)CNC(=O)C(C)(C)C)[C@@H]2C1 ZINC000126337761 158265506 /nfs/dbraw/zinc/26/55/06/158265506.db2.gz LUQHUJAGAWXLPL-JHJVBQTASA-N 0 0 312.410 0.944 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cnn4c3CCCC4)CCO2)[nH]1 ZINC000127583128 158274380 /nfs/dbraw/zinc/27/43/80/158274380.db2.gz LTWMBZYOYVDIEC-CYBMUJFWSA-N 0 0 316.365 0.860 10 0 DCAERN CSCc1noc(CCC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000128418072 158281009 /nfs/dbraw/zinc/28/10/09/158281009.db2.gz OMWIJBPSAGAVQO-SNVBAGLBSA-N 0 0 314.411 0.312 10 0 DCAERN COC(=O)C(C)(C)CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000129797083 158291342 /nfs/dbraw/zinc/29/13/42/158291342.db2.gz CDMYBGFFOCYAMC-NSHDSACASA-N 0 0 312.288 0.894 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3ccnnc3)CC2)no1 ZINC000131637603 158304495 /nfs/dbraw/zinc/30/44/95/158304495.db2.gz CNYIYQQBAQURDD-UHFFFAOYSA-N 0 0 302.338 0.516 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N[C@H]3CCC(=O)N(C)C3)cnc2n1 ZINC000132336586 158309224 /nfs/dbraw/zinc/30/92/24/158309224.db2.gz OCULHUNTZWWKTQ-JTQLQIEISA-N 0 0 314.345 0.994 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)NCCOCCO)[C@H]1c1ccc(F)cc1 ZINC000132253546 158309528 /nfs/dbraw/zinc/30/95/28/158309528.db2.gz XLGPUODBYCRPQE-UKRRQHHQSA-N 0 0 324.352 0.470 10 0 DCAERN COCCCCS(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000133100186 158316200 /nfs/dbraw/zinc/31/62/00/158316200.db2.gz HHIVOPRADNTMGL-ZIAGYGMSSA-N 0 0 322.471 0.832 10 0 DCAERN COCCCCS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000133375449 158319791 /nfs/dbraw/zinc/31/97/91/158319791.db2.gz ADVREHXPKXUWRN-UHFFFAOYSA-N 0 0 303.428 0.925 10 0 DCAERN CCOC(=O)NCCC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133784678 158321563 /nfs/dbraw/zinc/32/15/63/158321563.db2.gz IFIFYVMIMCDNCB-LLVKDONJSA-N 0 0 323.397 0.969 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCC1=O ZINC000134108789 158323906 /nfs/dbraw/zinc/32/39/06/158323906.db2.gz ADWWTBXSNNSZHQ-RYUDHWBXSA-N 0 0 307.394 0.515 10 0 DCAERN CC(=O)NCCCNC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000134619614 158328535 /nfs/dbraw/zinc/32/85/35/158328535.db2.gz NRINKDHYPGHVFZ-AWEZNQCLSA-N 0 0 306.366 0.771 10 0 DCAERN C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1nnc2n1CCCC2 ZINC000135251023 158335145 /nfs/dbraw/zinc/33/51/45/158335145.db2.gz NHJAGNXXSIQJJT-SNVBAGLBSA-N 0 0 301.350 0.804 10 0 DCAERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@@H]1CCCc2n[nH]cc21 ZINC000135574139 158338605 /nfs/dbraw/zinc/33/86/05/158338605.db2.gz MMKXEVFBASNJKK-QWHCGFSZSA-N 0 0 304.394 0.809 10 0 DCAERN CC(C)NC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135722123 158340474 /nfs/dbraw/zinc/34/04/74/158340474.db2.gz SACQCRPVMPINJG-GFCCVEGCSA-N 0 0 303.428 0.011 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H](CC)COC)CCO2)[nH]1 ZINC000141693611 158347072 /nfs/dbraw/zinc/34/70/72/158347072.db2.gz AEVKJOHTOAQPNQ-MNOVXSKESA-N 0 0 311.386 0.875 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000153728072 158349717 /nfs/dbraw/zinc/34/97/17/158349717.db2.gz KXQVJOVXVAKFLA-RTXFEEFZSA-N 0 0 303.362 0.811 10 0 DCAERN CN(CC1(O)CCOCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000162163862 158358394 /nfs/dbraw/zinc/35/83/94/158358394.db2.gz CROKJPIQEGTZQN-UHFFFAOYSA-N 0 0 310.375 0.609 10 0 DCAERN COc1ccccc1OCC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000170212103 158373585 /nfs/dbraw/zinc/37/35/85/158373585.db2.gz OQQUZTTWCIAUTH-INIZCTEOSA-N 0 0 304.346 0.813 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N(CCO)Cc1ccccc1 ZINC000170240662 158373616 /nfs/dbraw/zinc/37/36/16/158373616.db2.gz JKPWKTSBFSSDIS-ZDUSSCGKSA-N 0 0 300.362 0.931 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)c1nc3ccccc3c(=O)[nH]1)CC2 ZINC000170720487 158376042 /nfs/dbraw/zinc/37/60/42/158376042.db2.gz BPRLXRVNVRXCGQ-JTQLQIEISA-N 0 0 324.344 0.568 10 0 DCAERN O=C([C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1)N1CCOCC1 ZINC000171026939 158379171 /nfs/dbraw/zinc/37/91/71/158379171.db2.gz ZPUDYHWAZBCGQX-ZIAGYGMSSA-N 0 0 310.394 0.510 10 0 DCAERN Cc1noc(C2CCN(C(=O)CCCS(C)(=O)=O)CC2)n1 ZINC000170998140 158379886 /nfs/dbraw/zinc/37/98/86/158379886.db2.gz PDWPXWFCWJLGOQ-UHFFFAOYSA-N 0 0 315.395 0.909 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(CCC(=O)NC(C)C)CC2)n1 ZINC000171590819 158384425 /nfs/dbraw/zinc/38/44/25/158384425.db2.gz MDBMWPCVOQDIPT-GFCCVEGCSA-N 0 0 309.414 0.971 10 0 DCAERN O=C(CNCC(F)(F)F)NCCNC(=O)c1ccccc1 ZINC000171671437 158385065 /nfs/dbraw/zinc/38/50/65/158385065.db2.gz DMXMBTCRSFRIBC-UHFFFAOYSA-N 0 0 303.284 0.685 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)C1=O ZINC000172138029 158391295 /nfs/dbraw/zinc/39/12/95/158391295.db2.gz OGMSVCYEXAIJPC-RBKKPWLPSA-N 0 0 309.410 0.798 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000172133975 158391363 /nfs/dbraw/zinc/39/13/63/158391363.db2.gz ZCKNVORLBXGAOK-QMMMGPOBSA-N 0 0 309.347 0.086 10 0 DCAERN CN(C)c1ncccc1CNC(=O)CNC(=O)c1ccccn1 ZINC000172512209 158394553 /nfs/dbraw/zinc/39/45/53/158394553.db2.gz KAFPLTGLRYVRLD-UHFFFAOYSA-N 0 0 313.361 0.589 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCCC(=O)NC2CC2)C1 ZINC000172548213 158395519 /nfs/dbraw/zinc/39/55/19/158395519.db2.gz MKXCJKDUTMTYQR-CMPLNLGQSA-N 0 0 310.398 0.389 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172756186 158398421 /nfs/dbraw/zinc/39/84/21/158398421.db2.gz WBVYVHUTXGWPCW-HUUCEWRRSA-N 0 0 323.437 0.567 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000174720875 158419967 /nfs/dbraw/zinc/41/99/67/158419967.db2.gz BSPIPMBNXXCELH-TVQRCGJNSA-N 0 0 315.333 0.527 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)N[C@@H](C)CCc2cccn2C)CCO1 ZINC000176033987 158432180 /nfs/dbraw/zinc/43/21/80/158432180.db2.gz SBJJOABEQHEZCC-GXTWGEPZSA-N 0 0 323.393 0.930 10 0 DCAERN CC(C)COC[C@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000176343491 158436628 /nfs/dbraw/zinc/43/66/28/158436628.db2.gz VHUUZTXZYDPFDN-GFCCVEGCSA-N 0 0 321.377 0.479 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CCS[C@H]2COCC[C@@H]21 ZINC000178477013 158458573 /nfs/dbraw/zinc/45/85/73/158458573.db2.gz XBWLSEJPHKJXBE-QWRGUYRKSA-N 0 0 319.390 0.400 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCc1nc(CSC)no1)C(C)C ZINC000178597646 158460541 /nfs/dbraw/zinc/46/05/41/158460541.db2.gz QIWFBAKKITWBTF-LBPRGKRZSA-N 0 0 314.411 0.752 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(C)C ZINC000178680646 158461662 /nfs/dbraw/zinc/46/16/62/158461662.db2.gz JKBFEYDJKNMLBP-FZMZJTMJSA-N 0 0 321.377 0.515 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(C)C ZINC000178700708 158462507 /nfs/dbraw/zinc/46/25/07/158462507.db2.gz CYRAIMRMNCCERO-RISCZKNCSA-N 0 0 309.410 0.664 10 0 DCAERN CNC(=O)[C@H]1CN(Cc2c(C)nc3sc(C)cn23)CCO1 ZINC000182485347 158493162 /nfs/dbraw/zinc/49/31/62/158493162.db2.gz PXQVPBRDRQWUPA-GFCCVEGCSA-N 0 0 308.407 0.959 10 0 DCAERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000183022911 158496088 /nfs/dbraw/zinc/49/60/88/158496088.db2.gz PLNFMELSTFCHTH-YNEHKIRRSA-N 0 0 307.398 0.785 10 0 DCAERN Cn1cc(-c2cc(Cn3nnn(-c4ccccc4)c3=O)on2)cn1 ZINC000183972737 158503988 /nfs/dbraw/zinc/50/39/88/158503988.db2.gz HTPHNVCQYTWCFJ-UHFFFAOYSA-N 0 0 323.316 0.866 10 0 DCAERN CN(C)c1noc(CSc2nnnn2C2CCOCC2)n1 ZINC000184550277 158509568 /nfs/dbraw/zinc/50/95/68/158509568.db2.gz HWXFMRPSSOAHBL-UHFFFAOYSA-N 0 0 311.371 0.766 10 0 DCAERN CCc1nn(C)c(OC)c1CNS(=O)(=O)CCCCOC ZINC000185656334 158522132 /nfs/dbraw/zinc/52/21/32/158522132.db2.gz KLTZHDAICZEEHL-UHFFFAOYSA-N 0 0 319.427 0.837 10 0 DCAERN CC(C)C[C@@H](CO)N(C)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000185592077 158522571 /nfs/dbraw/zinc/52/25/71/158522571.db2.gz VSSLAKPIUQBSFZ-LBPRGKRZSA-N 0 0 320.455 0.860 10 0 DCAERN CCN(CC)C(=O)c1ccc(CNC(=O)CC(=O)NC)cc1 ZINC000185690353 158523026 /nfs/dbraw/zinc/52/30/26/158523026.db2.gz NPTGWKOMIUJSAD-UHFFFAOYSA-N 0 0 305.378 0.921 10 0 DCAERN CC[C@H](C)NC(=O)c1cccc(CNC(=O)CC(=O)NC)c1 ZINC000185852727 158524909 /nfs/dbraw/zinc/52/49/09/158524909.db2.gz SCFCYEUOXDUESR-NSHDSACASA-N 0 0 305.378 0.967 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NC1(CO)CCC1)CC2 ZINC000186763117 158534525 /nfs/dbraw/zinc/53/45/25/158534525.db2.gz NWJDPIFQCSLVSS-NSHDSACASA-N 0 0 307.398 0.931 10 0 DCAERN C[C@H](CC(=O)N1CCCN(C)C(=O)C1)NC(=O)C1CCCC1 ZINC000189797598 158555579 /nfs/dbraw/zinc/55/55/79/158555579.db2.gz BDGUKNSOWLLDJL-GFCCVEGCSA-N 0 0 309.410 0.762 10 0 DCAERN CCc1ccc(C(=O)N2CC(=O)N(CC)C2)cc1S(C)(=O)=O ZINC000190511350 158560736 /nfs/dbraw/zinc/56/07/36/158560736.db2.gz IMIQVYXYNHQPQM-UHFFFAOYSA-N 0 0 324.402 0.914 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1=O ZINC000190499741 158560893 /nfs/dbraw/zinc/56/08/93/158560893.db2.gz IPDNAJYNRXSETD-LBPRGKRZSA-N 0 0 319.361 0.923 10 0 DCAERN CCn1cc([C@@H]2CN(CC(=O)N3CCOCC3)CCO2)cn1 ZINC000190797652 158563684 /nfs/dbraw/zinc/56/36/84/158563684.db2.gz TWRMXZVQOBSPOF-AWEZNQCLSA-N 0 0 308.382 0.135 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000191494445 158568288 /nfs/dbraw/zinc/56/82/88/158568288.db2.gz WFTJGAUZKOMXKH-VIFPVBQESA-N 0 0 302.334 0.520 10 0 DCAERN CCN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000245574423 158650353 /nfs/dbraw/zinc/65/03/53/158650353.db2.gz DUGSCBLYQWGWHL-LBPRGKRZSA-N 0 0 314.411 0.654 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)c2cccc(C(N)=O)c2)CC[C@@H]1C ZINC000249457099 158707290 /nfs/dbraw/zinc/70/72/90/158707290.db2.gz DQJWGXDFPNNSNV-GXFFZTMASA-N 0 0 312.391 0.831 10 0 DCAERN COCCN1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1=O ZINC000249522837 158708026 /nfs/dbraw/zinc/70/80/26/158708026.db2.gz OVZLXFODTLJTSL-MGPQQGTHSA-N 0 0 310.394 0.651 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@](O)(C(N)=O)C2)c1 ZINC000276454972 158934891 /nfs/dbraw/zinc/93/48/91/158934891.db2.gz HHJQSYNHLLIRIK-BDJLRTHQSA-N 0 0 320.345 0.105 10 0 DCAERN C[C@H](NCC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ncn(C)n1 ZINC000328620482 159015677 /nfs/dbraw/zinc/01/56/77/159015677.db2.gz WWXYEVUHOQFIRM-XQQFMLRXSA-N 0 0 307.398 0.636 10 0 DCAERN CO[C@H](C(=O)N1CCN[C@@H](c2cccnc2)C1)c1cnn(C)c1 ZINC000328660925 159018091 /nfs/dbraw/zinc/01/80/91/159018091.db2.gz WEWBMZKEAZHDQC-CABCVRRESA-N 0 0 315.377 0.676 10 0 DCAERN O=C(C1CC1)[C@@H]1CN(C(=O)c2cnn3ccncc23)CCO1 ZINC000328662305 159018374 /nfs/dbraw/zinc/01/83/74/159018374.db2.gz ASGVWKXHXWPRKJ-ZDUSSCGKSA-N 0 0 300.318 0.549 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]1 ZINC000328662184 159018437 /nfs/dbraw/zinc/01/84/37/159018437.db2.gz ALKGAYNDKASBDF-VIFPVBQESA-N 0 0 306.326 0.559 10 0 DCAERN COCCN1CN(C(=O)c2ncoc2[C@@H]2CCCO2)CC1=O ZINC000328675046 159019466 /nfs/dbraw/zinc/01/94/66/159019466.db2.gz KIZXEVBTOOPURG-JTQLQIEISA-N 0 0 309.322 0.414 10 0 DCAERN COc1cccc(CC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC000328671820 159019515 /nfs/dbraw/zinc/01/95/15/159019515.db2.gz HPDYHONBAJINFC-CYBMUJFWSA-N 0 0 304.346 0.839 10 0 DCAERN O=S(=O)(NCCc1ccsc1)C1CCS(=O)(=O)CC1 ZINC000328691636 159021755 /nfs/dbraw/zinc/02/17/55/159021755.db2.gz DYWFJHJEJREWHC-UHFFFAOYSA-N 0 0 323.461 0.787 10 0 DCAERN CO[C@@H]1CN([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1OC ZINC000328688000 159021771 /nfs/dbraw/zinc/02/17/71/159021771.db2.gz ZLJLZYJTDZRSBJ-BFHYXJOUSA-N 0 0 308.382 0.261 10 0 DCAERN C[C@H](CC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1)N1CCCCC1=O ZINC000328755032 159027146 /nfs/dbraw/zinc/02/71/46/159027146.db2.gz SQKPMVKQDTZIQY-RDBSUJKOSA-N 0 0 309.410 0.319 10 0 DCAERN CN(Cc1nc2cccnc2s1)C[C@H](O)CN1CCOCC1 ZINC000328852401 159034761 /nfs/dbraw/zinc/03/47/61/159034761.db2.gz BUASNJRFIUGJHF-LBPRGKRZSA-N 0 0 322.434 0.816 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(=O)c1 ZINC000328867513 159035782 /nfs/dbraw/zinc/03/57/82/159035782.db2.gz GYTZSAYEZYXXBM-ZIAGYGMSSA-N 0 0 305.378 0.088 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCC[C@@H](n3cccn3)C2)cn1C ZINC000328884373 159038091 /nfs/dbraw/zinc/03/80/91/159038091.db2.gz YOKWCDPHWRSPIV-GFCCVEGCSA-N 0 0 309.395 0.951 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)nn1C ZINC000328922621 159042165 /nfs/dbraw/zinc/04/21/65/159042165.db2.gz UMVJETVIKDATEJ-CQSZACIVSA-N 0 0 319.409 0.107 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CCC[C@H]1Cn1ccnn1 ZINC000328940235 159044699 /nfs/dbraw/zinc/04/46/99/159044699.db2.gz SHVDYRJHWNTXTR-QWHCGFSZSA-N 0 0 314.411 0.641 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)N(C)C1 ZINC000328976435 159048735 /nfs/dbraw/zinc/04/87/35/159048735.db2.gz CZNAIRSOLKHTFT-CYDGBPFRSA-N 0 0 324.381 0.386 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000329044589 159055118 /nfs/dbraw/zinc/05/51/18/159055118.db2.gz ULGGGRWOFNSRDX-RYUDHWBXSA-N 0 0 316.365 0.034 10 0 DCAERN Cc1nn(C)c(N)c1C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000329092491 159061155 /nfs/dbraw/zinc/06/11/55/159061155.db2.gz JXABOJCTKRHJDR-GFCCVEGCSA-N 0 0 308.382 0.578 10 0 DCAERN O=C([C@@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)C1)N1CCCC1 ZINC000329255606 159076863 /nfs/dbraw/zinc/07/68/63/159076863.db2.gz DKGWVJZAHGAPLL-OLZOCXBDSA-N 0 0 316.423 0.440 10 0 DCAERN NS(=O)(=O)Cc1ccc(C(=O)N2CC3(C2)CCCOC3)cc1 ZINC000329289271 159080584 /nfs/dbraw/zinc/08/05/84/159080584.db2.gz ADIWUOSOVDWVMT-UHFFFAOYSA-N 0 0 324.402 0.728 10 0 DCAERN CC[C@@H]1COCCN1C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000329348254 159083869 /nfs/dbraw/zinc/08/38/69/159083869.db2.gz VWUAWEDWZLAOHY-RAIGVLPGSA-N 0 0 310.354 0.115 10 0 DCAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)[C@@H]2CCOC2)cn1 ZINC000329353217 159084912 /nfs/dbraw/zinc/08/49/12/159084912.db2.gz XVZCYVONAQECMW-QLFBSQMISA-N 0 0 323.393 0.854 10 0 DCAERN CCc1[nH]n(C)c2nnc(NC(=O)[C@@H](C)N3CCOCC3)c1-2 ZINC000329435940 159092550 /nfs/dbraw/zinc/09/25/50/159092550.db2.gz IYZKRJVALJYZCQ-SECBINFHSA-N 0 0 306.370 0.518 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)CCS1(=O)=O ZINC000329436865 159092645 /nfs/dbraw/zinc/09/26/45/159092645.db2.gz MCQAKTZQVJLGRS-SECBINFHSA-N 0 0 324.358 0.926 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@@H]1OC ZINC000329526091 159099555 /nfs/dbraw/zinc/09/95/55/159099555.db2.gz SXOLPEWBPHMBTG-KFWWJZLASA-N 0 0 312.410 0.360 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CN1C(=O)[C@@H]2CCCN2C1=O ZINC000329547370 159100680 /nfs/dbraw/zinc/10/06/80/159100680.db2.gz IJBASLGBXJTIFF-WCFLWFBJSA-N 0 0 304.350 0.924 10 0 DCAERN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000329541410 159100809 /nfs/dbraw/zinc/10/08/09/159100809.db2.gz XGUOYECNYPNJEO-JTQLQIEISA-N 0 0 320.353 0.612 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000329591340 159105775 /nfs/dbraw/zinc/10/57/75/159105775.db2.gz YWAVSHOLECNURM-HBJVGIJOSA-N 0 0 308.382 0.983 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000329646437 159109334 /nfs/dbraw/zinc/10/93/34/159109334.db2.gz BATNPESVGFQGRC-KBPBESRZSA-N 0 0 308.382 0.570 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000329709651 159113933 /nfs/dbraw/zinc/11/39/33/159113933.db2.gz NFDRXVMDWGJTSU-CYBMUJFWSA-N 0 0 322.390 0.736 10 0 DCAERN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(Cc1nc(=O)n(C)[nH]1)C2=O ZINC000329787422 159120173 /nfs/dbraw/zinc/12/01/73/159120173.db2.gz RDPXSNBJEQAORE-RKDXNWHRSA-N 0 0 307.354 0.560 10 0 DCAERN Cc1nc(Cn2cc(C(=O)N3[C@H](C)CN(C)C[C@H]3C)nn2)no1 ZINC000329872410 159125344 /nfs/dbraw/zinc/12/53/44/159125344.db2.gz BJWZPEXFWSUBMC-NXEZZACHSA-N 0 0 319.369 0.182 10 0 DCAERN Cn1cc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c(=O)[nH]c1=O ZINC000329913494 159128843 /nfs/dbraw/zinc/12/88/43/159128843.db2.gz XKFJTWWYJKVRGN-NSHDSACASA-N 0 0 316.317 0.174 10 0 DCAERN CC(=O)N1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000329969298 159133004 /nfs/dbraw/zinc/13/30/04/159133004.db2.gz UKBHAHJCQWIISJ-ZDUSSCGKSA-N 0 0 309.410 0.858 10 0 DCAERN C[C@@H]1OCC[C@]12CN(S(=O)(=O)[C@H]1CCCOC1)CCO2 ZINC000330117912 159143112 /nfs/dbraw/zinc/14/31/12/159143112.db2.gz XRECWTDHRUXRDA-AVGNSLFASA-N 0 0 305.396 0.375 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1CC[C@@H]3CCC[C@H]31)c2=O ZINC000330286707 159157007 /nfs/dbraw/zinc/15/70/07/159157007.db2.gz AVHRVAQIVRTYCN-CMPLNLGQSA-N 0 0 301.350 0.531 10 0 DCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000330316712 159159159 /nfs/dbraw/zinc/15/91/59/159159159.db2.gz ZOJKLOFQKLSTRS-GARJFASQSA-N 0 0 317.367 0.259 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000330325029 159159773 /nfs/dbraw/zinc/15/97/73/159159773.db2.gz IYNTUIKEYSZOBI-SUTOTMHJSA-N 0 0 318.464 0.525 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000330320949 159159919 /nfs/dbraw/zinc/15/99/19/159159919.db2.gz RYVIJROJSCFBGZ-ZYHUDNBSSA-N 0 0 303.366 0.757 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332721468 159210954 /nfs/dbraw/zinc/21/09/54/159210954.db2.gz MWODBEMJXSFGDL-WDEREUQCSA-N 0 0 308.382 0.108 10 0 DCAERN C[C@H]1OCC[C@]1(O)CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000332770342 159213360 /nfs/dbraw/zinc/21/33/60/159213360.db2.gz IRUDPVOIOWMADI-WBOJAVRRSA-N 0 0 319.405 0.810 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000332816422 159214290 /nfs/dbraw/zinc/21/42/90/159214290.db2.gz GSBFWUXGAKPOTK-HOSYDEDBSA-N 0 0 301.412 0.651 10 0 DCAERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000332948092 159217929 /nfs/dbraw/zinc/21/79/29/159217929.db2.gz QXBKUHIKFVYWJA-MROQNXINSA-N 0 0 323.372 0.870 10 0 DCAERN O=C(N[C@@H]1CCSC1)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000332971190 159218078 /nfs/dbraw/zinc/21/80/78/159218078.db2.gz LQTVOPKSLPEUMF-WDEREUQCSA-N 0 0 323.422 0.543 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NCCc2cn[nH]c2)no1 ZINC000360296117 159265671 /nfs/dbraw/zinc/26/56/71/159265671.db2.gz LYMUFHIRCABBDD-SECBINFHSA-N 0 0 308.342 0.932 10 0 DCAERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000364202485 159273541 /nfs/dbraw/zinc/27/35/41/159273541.db2.gz KJUOGGCHVSVRDD-ZBEGNZNMSA-N 0 0 309.410 0.666 10 0 DCAERN O=C1[C@@H](Nc2ncccn2)CCCN1CCN1CCOCC1 ZINC000364685039 159275330 /nfs/dbraw/zinc/27/53/30/159275330.db2.gz KIBABESTEUAWCO-ZDUSSCGKSA-N 0 0 305.382 0.212 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC(C2CCOCC2)CC1 ZINC000366926207 159297600 /nfs/dbraw/zinc/29/76/00/159297600.db2.gz YQTLRTSPGQLGKH-UHFFFAOYSA-N 0 0 312.410 0.756 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000367162338 159318287 /nfs/dbraw/zinc/31/82/87/159318287.db2.gz ABNNKODTJJVIHD-PWSUYJOCSA-N 0 0 324.343 0.869 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2c(F)cccc2F)C1 ZINC000367422081 159337242 /nfs/dbraw/zinc/33/72/42/159337242.db2.gz DFLWQBWZHOOUDL-DTWKUNHWSA-N 0 0 307.318 0.735 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@](O)(C(N)=O)C2)[C@H]1C ZINC000367488907 159340682 /nfs/dbraw/zinc/34/06/82/159340682.db2.gz GLZMDELKMSHIOS-LMOYCYGVSA-N 0 0 311.426 0.240 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccccc2N2CCCCC2)C1 ZINC000367676504 159350256 /nfs/dbraw/zinc/35/02/56/159350256.db2.gz WUZNWEMNGRCCEQ-KRWDZBQOSA-N 0 0 317.389 0.739 10 0 DCAERN C[C@@H](OCC(=O)N1CCOCC(F)(F)C1)c1nccn1C ZINC000367968146 159367238 /nfs/dbraw/zinc/36/72/38/159367238.db2.gz LQYOXHCYKMSCTE-SNVBAGLBSA-N 0 0 303.309 0.992 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)c2cn3c(n2)CCCC3)no1 ZINC000368003950 159370065 /nfs/dbraw/zinc/37/00/65/159370065.db2.gz BUEAVZBSDGTQKQ-UHFFFAOYSA-N 0 0 311.367 0.732 10 0 DCAERN COc1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000368324706 159387436 /nfs/dbraw/zinc/38/74/36/159387436.db2.gz SYYPISFKDRVGLZ-ZDUSSCGKSA-N 0 0 319.361 0.177 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC(O)(c3ccc(F)cc3)C2)cn1 ZINC000369390754 159455892 /nfs/dbraw/zinc/45/58/92/159455892.db2.gz DSDJPDWLMORCCZ-UHFFFAOYSA-N 0 0 317.320 0.955 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1C[C@H](F)C[C@H]1CO ZINC000372509910 159628037 /nfs/dbraw/zinc/62/80/37/159628037.db2.gz ZBRNUIKRSIBXJL-PWSUYJOCSA-N 0 0 301.362 0.550 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000372566639 159630965 /nfs/dbraw/zinc/63/09/65/159630965.db2.gz DUNZIJZNIKDMMB-VIFPVBQESA-N 0 0 323.324 0.510 10 0 DCAERN O=C(Cn1ccc(C(F)(F)F)n1)N1CCN2CCOC[C@H]2C1 ZINC000373247097 159670545 /nfs/dbraw/zinc/67/05/45/159670545.db2.gz YEDNKLBLEZOWSS-SNVBAGLBSA-N 0 0 318.299 0.445 10 0 DCAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)OC)C1 ZINC000373636952 159690946 /nfs/dbraw/zinc/69/09/46/159690946.db2.gz GORYZPHKBRJEJF-AXFHLTTASA-N 0 0 307.416 0.133 10 0 DCAERN CC[C@@H](C)N1CC(=O)N([C@@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000376026304 159834182 /nfs/dbraw/zinc/83/41/82/159834182.db2.gz QQMRQLSPLGHOFA-DGCLKSJQSA-N 0 0 323.393 0.829 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376566822 159865218 /nfs/dbraw/zinc/86/52/18/159865218.db2.gz XIGSEYALARBEKV-YNEHKIRRSA-N 0 0 308.378 0.657 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)N2CC[C@H](CC(N)=O)C2)n1 ZINC000376825412 159879900 /nfs/dbraw/zinc/87/99/00/159879900.db2.gz DYMFTTBDHMVFKZ-CYBMUJFWSA-N 0 0 307.398 0.797 10 0 DCAERN C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCO1 ZINC000407976156 160000853 /nfs/dbraw/zinc/00/08/53/160000853.db2.gz MNPUDJFLIXDOPF-QJPTWQEYSA-N 0 0 319.427 0.277 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000407979231 160001401 /nfs/dbraw/zinc/00/14/01/160001401.db2.gz SXPHZTBMZYXUTO-KBPBESRZSA-N 0 0 310.442 0.140 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCC(=O)NC3)ccc21 ZINC000407989638 160004688 /nfs/dbraw/zinc/00/46/88/160004688.db2.gz LGCIVYWJZJZEGC-CYBMUJFWSA-N 0 0 301.346 0.604 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N[C@H]3CCCNC3=O)cc12 ZINC000407989340 160004758 /nfs/dbraw/zinc/00/47/58/160004758.db2.gz JGUQZQAXEMMJDG-JTQLQIEISA-N 0 0 310.335 0.088 10 0 DCAERN Cc1noc2ncc(S(=O)(=O)N[C@@H]3CCCNC3=O)cc12 ZINC000407989341 160004829 /nfs/dbraw/zinc/00/48/29/160004829.db2.gz JGUQZQAXEMMJDG-SNVBAGLBSA-N 0 0 310.335 0.088 10 0 DCAERN CCc1noc(C)c1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000407992209 160005150 /nfs/dbraw/zinc/00/51/50/160005150.db2.gz BWHHZDJMZDLNIU-UHFFFAOYSA-N 0 0 316.383 0.399 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000407999718 160006755 /nfs/dbraw/zinc/00/67/55/160006755.db2.gz YQXMQYBOVZEDKM-UWVGGRQHSA-N 0 0 300.380 0.848 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1cccn1C ZINC000407997453 160006936 /nfs/dbraw/zinc/00/69/36/160006936.db2.gz OVZXPKNSZIGQOU-LBPRGKRZSA-N 0 0 314.411 0.133 10 0 DCAERN CN1CC(=O)N(CCCC(=O)N2CCC[C@@H]3COCC[C@H]32)C1=O ZINC000408002204 160007991 /nfs/dbraw/zinc/00/79/91/160007991.db2.gz DIRHVTKLYHBHRZ-CHWSQXEVSA-N 0 0 323.393 0.688 10 0 DCAERN C[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408004053 160008768 /nfs/dbraw/zinc/00/87/68/160008768.db2.gz LBWZXBNFIWNEPX-MCIONIFRSA-N 0 0 309.410 0.923 10 0 DCAERN COCc1nc(C)c(C(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000408006846 160009552 /nfs/dbraw/zinc/00/95/52/160009552.db2.gz CLTWFVDPFWEIAJ-MRVPVSSYSA-N 0 0 318.420 0.857 10 0 DCAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](CCO)C1 ZINC000408011452 160010746 /nfs/dbraw/zinc/01/07/46/160010746.db2.gz RDRVYMBLDALQPE-LLVKDONJSA-N 0 0 309.366 0.082 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000408014343 160011241 /nfs/dbraw/zinc/01/12/41/160011241.db2.gz MNEMYAJCQSYLEJ-PWSUYJOCSA-N 0 0 300.366 0.865 10 0 DCAERN C[C@@H](O)[C@@H]1C[C@H](C)CCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408015555 160011395 /nfs/dbraw/zinc/01/13/95/160011395.db2.gz CIAONWUOXPCCSR-LPWJVIDDSA-N 0 0 318.439 0.707 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)c3cncc(F)c3)C[C@@H]21 ZINC000408016076 160012278 /nfs/dbraw/zinc/01/22/78/160012278.db2.gz HRZTYAPEMPCRIK-QWHCGFSZSA-N 0 0 315.370 0.314 10 0 DCAERN C[C@@H]1CCN(S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)C1 ZINC000408015885 160012567 /nfs/dbraw/zinc/01/25/67/160012567.db2.gz GJGCZLGSQKIGLA-UTUOFQBUSA-N 0 0 308.444 0.321 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cn1 ZINC000408020666 160013600 /nfs/dbraw/zinc/01/36/00/160013600.db2.gz DWPZFCHULQYCOY-STQMWFEESA-N 0 0 306.366 0.017 10 0 DCAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3ccco3)CCN2C)n1 ZINC000408026155 160014622 /nfs/dbraw/zinc/01/46/22/160014622.db2.gz CQQSCKSRSNSDPK-JTQLQIEISA-N 0 0 312.351 0.648 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000408025256 160014710 /nfs/dbraw/zinc/01/47/10/160014710.db2.gz AMBVGITYDODFLD-RWMBFGLXSA-N 0 0 306.428 0.699 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)C[C@@H]21 ZINC000408023610 160015158 /nfs/dbraw/zinc/01/51/58/160015158.db2.gz SZSNWPIBNXMIPW-KBPBESRZSA-N 0 0 318.377 0.722 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCCCCC1 ZINC000408028523 160015447 /nfs/dbraw/zinc/01/54/47/160015447.db2.gz SOGUNMTYVGMOCW-STQMWFEESA-N 0 0 306.428 0.843 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2cn(C)c(C)n2)CC(C)(C)O1 ZINC000408027384 160015650 /nfs/dbraw/zinc/01/56/50/160015650.db2.gz NIAXGUFQNHHBLE-LLVKDONJSA-N 0 0 317.411 0.543 10 0 DCAERN CN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000408029227 160015805 /nfs/dbraw/zinc/01/58/05/160015805.db2.gz HEZPOENYEAXIKK-OAHLLOKOSA-N 0 0 305.378 0.371 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408029893 160016688 /nfs/dbraw/zinc/01/66/88/160016688.db2.gz WBOHUMYSXOVZME-LLVKDONJSA-N 0 0 317.415 0.253 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000408031354 160016974 /nfs/dbraw/zinc/01/69/74/160016974.db2.gz SWHMPUVCCCESFX-RDBSUJKOSA-N 0 0 309.410 0.176 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCC[C@H]2Cn2ccnn2)CC1 ZINC000408037226 160018988 /nfs/dbraw/zinc/01/89/88/160018988.db2.gz AODBACXOWHITIH-ZDUSSCGKSA-N 0 0 305.382 0.528 10 0 DCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(=O)N2CCCC[C@H]2C)C1 ZINC000408035594 160019032 /nfs/dbraw/zinc/01/90/32/160019032.db2.gz MWZGJLUYYWHFMR-UPJWGTAASA-N 0 0 307.398 0.968 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[C@H](CCO)C1 ZINC000408038687 160019943 /nfs/dbraw/zinc/01/99/43/160019943.db2.gz OWAYAUXEYHOBHW-UPJWGTAASA-N 0 0 308.378 0.393 10 0 DCAERN CCNC(=O)NC(=O)CN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408042446 160020200 /nfs/dbraw/zinc/02/02/00/160020200.db2.gz HGXWKZCVFKANTM-UPJWGTAASA-N 0 0 313.398 0.084 10 0 DCAERN CN1CCOC[C@H]1C(=O)Nc1c[nH]cc(Br)c1=O ZINC000408041118 160020475 /nfs/dbraw/zinc/02/04/75/160020475.db2.gz BJBRLPWBHKYHHA-VIFPVBQESA-N 0 0 316.155 0.407 10 0 DCAERN CNS(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408046363 160021167 /nfs/dbraw/zinc/02/11/67/160021167.db2.gz WGAVVRHKDINEBT-MGPQQGTHSA-N 0 0 320.455 0.178 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@@H]21 ZINC000408044157 160021639 /nfs/dbraw/zinc/02/16/39/160021639.db2.gz TVCXVJGUPLZHAI-RYUDHWBXSA-N 0 0 319.365 0.117 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)[C@@H]1C ZINC000408047328 160022808 /nfs/dbraw/zinc/02/28/08/160022808.db2.gz PNXLEUZXDNSVLD-NTASLKFISA-N 0 0 311.426 0.502 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3cnc4ccccc4n3)CC[C@@H]21 ZINC000408052114 160023460 /nfs/dbraw/zinc/02/34/60/160023460.db2.gz NSTVDIGQMFQCKX-KGLIPLIRSA-N 0 0 311.345 0.868 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@](C)(O)C1 ZINC000408053131 160024339 /nfs/dbraw/zinc/02/43/39/160024339.db2.gz NNYPWGARUFDEGJ-LBPRGKRZSA-N 0 0 318.420 0.691 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@H]2CCO[C@H]2C(C)C)C1 ZINC000408054824 160024489 /nfs/dbraw/zinc/02/44/89/160024489.db2.gz UXMJYJPBJLPAEA-IJEWVQPXSA-N 0 0 312.410 0.537 10 0 DCAERN Cc1cnn(CC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000408071245 160028362 /nfs/dbraw/zinc/02/83/62/160028362.db2.gz BCLDNCKGORIZSG-CYBMUJFWSA-N 0 0 322.434 0.758 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000408071960 160029252 /nfs/dbraw/zinc/02/92/52/160029252.db2.gz DSJOFSDIUYLPMX-SECBINFHSA-N 0 0 303.318 0.355 10 0 DCAERN C[C@H]1COCCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 ZINC000408074585 160030408 /nfs/dbraw/zinc/03/04/08/160030408.db2.gz WYBQEYWJGVCJML-GXTWGEPZSA-N 0 0 313.423 0.638 10 0 DCAERN C[C@H]1COCCN1Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000408074586 160030479 /nfs/dbraw/zinc/03/04/79/160030479.db2.gz WYBQEYWJGVCJML-JSGCOSHPSA-N 0 0 313.423 0.638 10 0 DCAERN CCN(CC)C(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000408078735 160030719 /nfs/dbraw/zinc/03/07/19/160030719.db2.gz DMWUUIOLICLYDP-UHFFFAOYSA-N 0 0 317.455 0.907 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000408081359 160031736 /nfs/dbraw/zinc/03/17/36/160031736.db2.gz VFXQWAXMPSSCJR-LLVKDONJSA-N 0 0 302.396 0.081 10 0 DCAERN Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408080327 160031756 /nfs/dbraw/zinc/03/17/56/160031756.db2.gz RIWWTYDAOCVCTD-QWRGUYRKSA-N 0 0 315.395 0.882 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000408085858 160032363 /nfs/dbraw/zinc/03/23/63/160032363.db2.gz DIFUOUUTRSFHKI-MPKXVKKWSA-N 0 0 307.394 0.418 10 0 DCAERN C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)N1CCOCC1 ZINC000408087197 160032724 /nfs/dbraw/zinc/03/27/24/160032724.db2.gz AKVXZLOQPMWQRW-CQSZACIVSA-N 0 0 319.409 0.236 10 0 DCAERN C[C@H]1CCN(C(=O)c2nn(C)c3ccccc3c2=O)C[C@H]1O ZINC000408093516 160034004 /nfs/dbraw/zinc/03/40/04/160034004.db2.gz CCUBDPVLRBRHBH-GXFFZTMASA-N 0 0 301.346 0.776 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000408093160 160034177 /nfs/dbraw/zinc/03/41/77/160034177.db2.gz UXTDMKRNQSNOTG-OLZOCXBDSA-N 0 0 305.382 0.264 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)C[C@H]1O ZINC000408094357 160034396 /nfs/dbraw/zinc/03/43/96/160034396.db2.gz SGPLFYLHUGTWLT-KGYLQXTDSA-N 0 0 312.435 0.917 10 0 DCAERN C[C@@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C[C@H]1O ZINC000408091864 160034649 /nfs/dbraw/zinc/03/46/49/160034649.db2.gz QRRZATOEWHUDDU-IKWCTNDRSA-N 0 0 318.439 0.755 10 0 DCAERN C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000408094738 160035006 /nfs/dbraw/zinc/03/50/06/160035006.db2.gz IRAQVBMGXDXORT-WOPDTQHZSA-N 0 0 323.393 0.469 10 0 DCAERN C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCCNC3=O)ccc2O1 ZINC000408096290 160035167 /nfs/dbraw/zinc/03/51/67/160035167.db2.gz YXUBIRYPTFZNDZ-JOYOIKCWSA-N 0 0 310.375 0.567 10 0 DCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408094892 160035247 /nfs/dbraw/zinc/03/52/47/160035247.db2.gz JPFRAGSAFWWGNO-RVMXOQNASA-N 0 0 323.393 0.589 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H]2C)c1 ZINC000408111617 160037681 /nfs/dbraw/zinc/03/76/81/160037681.db2.gz DKNQALMHWSIHRY-LLVKDONJSA-N 0 0 311.407 0.371 10 0 DCAERN C[C@H]1CC[S@](=O)CCN1c1ccc(S(C)(=O)=O)cn1 ZINC000408111001 160037795 /nfs/dbraw/zinc/03/77/95/160037795.db2.gz XWUXRGKNGYLDOL-YPMLDQLKSA-N 0 0 302.421 0.832 10 0 DCAERN CC[C@H]1CO[C@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408109280 160037950 /nfs/dbraw/zinc/03/79/50/160037950.db2.gz WMSTVUOXWHSUDI-MNOVXSKESA-N 0 0 319.365 0.156 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113274 160038865 /nfs/dbraw/zinc/03/88/65/160038865.db2.gz REMMJKLWXMYGQL-JTQLQIEISA-N 0 0 315.395 0.306 10 0 DCAERN Cc1cc(C)n2nc(C(=O)N3CCC[C@](F)(CO)C3)nc2n1 ZINC000408120833 160041269 /nfs/dbraw/zinc/04/12/69/160041269.db2.gz JBXIHZGNJCREJT-CQSZACIVSA-N 0 0 307.329 0.678 10 0 DCAERN Cc1c([C@@H](C)NS(=O)(=O)N2CCOC(C)(C)C2)cnn1C ZINC000408123112 160041853 /nfs/dbraw/zinc/04/18/53/160041853.db2.gz NKODZCPVFUPXCI-SNVBAGLBSA-N 0 0 316.427 0.735 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000408133780 160044320 /nfs/dbraw/zinc/04/43/20/160044320.db2.gz PMNYPANIIBHKJI-UHFFFAOYSA-N 0 0 305.444 0.619 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)[nH]1 ZINC000408133948 160044357 /nfs/dbraw/zinc/04/43/57/160044357.db2.gz QIWZOGCEQGFQRY-LLVKDONJSA-N 0 0 303.322 0.324 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000408137278 160044832 /nfs/dbraw/zinc/04/48/32/160044832.db2.gz DETMCTDGCUXLIO-HONMWMINSA-N 0 0 303.362 0.816 10 0 DCAERN CC1CN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000408143246 160046679 /nfs/dbraw/zinc/04/66/79/160046679.db2.gz ZURXOWMUHWKMCW-UHFFFAOYSA-N 0 0 307.354 0.226 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408153084 160049280 /nfs/dbraw/zinc/04/92/80/160049280.db2.gz IEUIUEBPJLJTHF-FIQHERPVSA-N 0 0 319.427 0.323 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NCC2CCSCC2)CCO1 ZINC000408154397 160049298 /nfs/dbraw/zinc/04/92/98/160049298.db2.gz KBAPCDNCUQCMDI-LLVKDONJSA-N 0 0 302.396 0.713 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCOCC1 ZINC000408157445 160049813 /nfs/dbraw/zinc/04/98/13/160049813.db2.gz IXTYKCHLPUQEBJ-MCIONIFRSA-N 0 0 319.471 0.519 10 0 DCAERN C[C@H]1C[C@@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1 ZINC000408164514 160051052 /nfs/dbraw/zinc/05/10/52/160051052.db2.gz IFAPBLDKWJGSMD-NWDGAFQWSA-N 0 0 309.410 0.666 10 0 DCAERN CCOc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)cn1 ZINC000408171783 160052737 /nfs/dbraw/zinc/05/27/37/160052737.db2.gz NSKOBZVZOJIQOC-CMPLNLGQSA-N 0 0 300.380 0.872 10 0 DCAERN NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)CC2)cc1F ZINC000408177283 160053546 /nfs/dbraw/zinc/05/35/46/160053546.db2.gz JRVBCCMCAIVNTO-SNVBAGLBSA-N 0 0 316.354 0.460 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000408180239 160054177 /nfs/dbraw/zinc/05/41/77/160054177.db2.gz OKSBNVXYKCRFPT-UPJWGTAASA-N 0 0 324.425 0.600 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000408183270 160054337 /nfs/dbraw/zinc/05/43/37/160054337.db2.gz PIHUKHBPBRWWLN-VXGBXAGGSA-N 0 0 314.411 0.211 10 0 DCAERN CCn1cc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cn1 ZINC000408181902 160054599 /nfs/dbraw/zinc/05/45/99/160054599.db2.gz GCSRMXVWNFFDJF-VIFPVBQESA-N 0 0 301.372 0.058 10 0 DCAERN NS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cs1 ZINC000408186761 160055276 /nfs/dbraw/zinc/05/52/76/160055276.db2.gz JBOHKXKBUHEIAE-UJNFCWOMSA-N 0 0 316.404 0.238 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000408190503 160056189 /nfs/dbraw/zinc/05/61/89/160056189.db2.gz ZLSSNTQXHYOWBM-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC000408197787 160057209 /nfs/dbraw/zinc/05/72/09/160057209.db2.gz JVKSYMCUPHFFDX-ZNMIVQPWSA-N 0 0 300.443 0.408 10 0 DCAERN CS(=O)(=O)N1CCc2cc(C(=O)N3CC(CO)C3)ccc21 ZINC000408195789 160057561 /nfs/dbraw/zinc/05/75/61/160057561.db2.gz UVJNVTFBFGXVOM-UHFFFAOYSA-N 0 0 310.375 0.073 10 0 DCAERN O=S(=O)(NC1CCCC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408206535 160059811 /nfs/dbraw/zinc/05/98/11/160059811.db2.gz ORCYGTYOTIMBFN-SECBINFHSA-N 0 0 302.318 0.763 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1 ZINC000408205797 160059938 /nfs/dbraw/zinc/05/99/38/160059938.db2.gz ROGAAHDWVRNNCK-UTUOFQBUSA-N 0 0 309.410 0.807 10 0 DCAERN C[C@H]1C[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(=O)N1 ZINC000408205584 160060023 /nfs/dbraw/zinc/06/00/23/160060023.db2.gz QYWLTOYBFANULO-IUCAKERBSA-N 0 0 303.318 0.985 10 0 DCAERN C[C@@H]1CN(CCCNS(=O)(=O)NC2CCCC2)C[C@@H](C)O1 ZINC000408209179 160060938 /nfs/dbraw/zinc/06/09/38/160060938.db2.gz YZNDETKDGVMZGP-CHWSQXEVSA-N 0 0 319.471 0.852 10 0 DCAERN C[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[S@@]1=O ZINC000408211877 160061485 /nfs/dbraw/zinc/06/14/85/160061485.db2.gz RQXADTCZWCJWDR-MQJDWESPSA-N 0 0 305.403 0.886 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000408221323 160063015 /nfs/dbraw/zinc/06/30/15/160063015.db2.gz GGJDINRHMSZLGS-SUNKGSAMSA-N 0 0 320.455 0.618 10 0 DCAERN CC[C@H](C(=O)N1CCC(C(=O)N(C)C)CC1)N1CCCC1=O ZINC000408238034 160067132 /nfs/dbraw/zinc/06/71/32/160067132.db2.gz VPCDVLWCMAZYJL-CYBMUJFWSA-N 0 0 309.410 0.714 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000408242950 160067725 /nfs/dbraw/zinc/06/77/25/160067725.db2.gz ADBANCAJXWVQJT-AVGNSLFASA-N 0 0 318.439 0.325 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000408248548 160069041 /nfs/dbraw/zinc/06/90/41/160069041.db2.gz FVTWDJQKIBTJEI-VXGBXAGGSA-N 0 0 309.366 0.346 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)c2cccn(C)c2=O)CC1(C)C ZINC000408249189 160069108 /nfs/dbraw/zinc/06/91/08/160069108.db2.gz ZANBXTUEQXYQNU-UHFFFAOYSA-N 0 0 305.378 0.857 10 0 DCAERN Cc1cc(C(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)n(C)n1 ZINC000408247820 160069224 /nfs/dbraw/zinc/06/92/24/160069224.db2.gz YSTSZBMPGBLKOT-ZDUSSCGKSA-N 0 0 318.381 0.478 10 0 DCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC)CC1 ZINC000408270515 160072710 /nfs/dbraw/zinc/07/27/10/160072710.db2.gz QZBYZIZDZBWFJI-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H](CO)O1 ZINC000408269474 160072994 /nfs/dbraw/zinc/07/29/94/160072994.db2.gz CFTLEKBOEOUFPG-IJLUTSLNSA-N 0 0 309.366 0.146 10 0 DCAERN COC(=O)C1CCC(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000408271348 160073661 /nfs/dbraw/zinc/07/36/61/160073661.db2.gz MNBFIUDYZQMQKT-ZEPSKSRBSA-N 0 0 308.378 0.704 10 0 DCAERN C[C@@H]1N(C(=O)[C@@H](O)Cc2cnn(C)c2)CCC12CCOCC2 ZINC000408274332 160073739 /nfs/dbraw/zinc/07/37/39/160073739.db2.gz KKNOROKMGOXLGY-JSGCOSHPSA-N 0 0 307.394 0.741 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408274882 160074090 /nfs/dbraw/zinc/07/40/90/160074090.db2.gz PZILCJBTDPOQGH-NEPJUHHUSA-N 0 0 304.412 0.151 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cnn1 ZINC000408274466 160074312 /nfs/dbraw/zinc/07/43/12/160074312.db2.gz LFVMESFELURLHZ-RYUDHWBXSA-N 0 0 312.395 0.375 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)c1cncc(N2CCOCC2)c1 ZINC000408288767 160076945 /nfs/dbraw/zinc/07/69/45/160076945.db2.gz AAGCSOZZUZYTGJ-LBPRGKRZSA-N 0 0 318.377 0.269 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCC[C@H]2C)c(C)nn1C ZINC000408291215 160077390 /nfs/dbraw/zinc/07/73/90/160077390.db2.gz WQSCIASCPKZRSH-SECBINFHSA-N 0 0 302.400 0.556 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)C2CCC(O)CC2)CCN1C ZINC000408291171 160077860 /nfs/dbraw/zinc/07/78/60/160077860.db2.gz VOTUHTXGUJRLDZ-RUXDESIVSA-N 0 0 306.410 0.786 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](O)C[C@H]2C)c1 ZINC000408293501 160078238 /nfs/dbraw/zinc/07/82/38/160078238.db2.gz YOSSNSSHEFKQAY-KOLCDFICSA-N 0 0 313.379 0.582 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1CCC(O)CC1 ZINC000408293763 160078360 /nfs/dbraw/zinc/07/83/60/160078360.db2.gz ZUMHEVIYZZKPRA-TYUFSLCMSA-N 0 0 318.439 0.514 10 0 DCAERN CNC(=O)CC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000408307415 160081459 /nfs/dbraw/zinc/08/14/59/160081459.db2.gz DSQCDXJCHFESGR-GFCCVEGCSA-N 0 0 319.409 0.847 10 0 DCAERN CNC(=O)CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000408309317 160082112 /nfs/dbraw/zinc/08/21/12/160082112.db2.gz MUPHIOJTGBBUIJ-UHFFFAOYSA-N 0 0 309.410 0.810 10 0 DCAERN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000408308341 160082507 /nfs/dbraw/zinc/08/25/07/160082507.db2.gz VPNOASWULVEHKV-AVGNSLFASA-N 0 0 324.425 0.729 10 0 DCAERN Cn1cnc2c(c1=O)CCN(S(=O)(=O)c1cncc(F)c1)C2 ZINC000408324649 160085464 /nfs/dbraw/zinc/08/54/64/160085464.db2.gz PMWMBSLEILZHLS-UHFFFAOYSA-N 0 0 324.337 0.061 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000408333846 160086939 /nfs/dbraw/zinc/08/69/39/160086939.db2.gz IYDYXTSFOJJVPK-VXGBXAGGSA-N 0 0 319.423 0.895 10 0 DCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000408332980 160086946 /nfs/dbraw/zinc/08/69/46/160086946.db2.gz YGPRVAURWNHCLZ-YNEHKIRRSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)CCO1 ZINC000408337214 160087487 /nfs/dbraw/zinc/08/74/87/160087487.db2.gz BHTSBQJWJXREPU-FRRDWIJNSA-N 0 0 320.393 0.847 10 0 DCAERN Cc1ccncc1CN1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000408352750 160090554 /nfs/dbraw/zinc/09/05/54/160090554.db2.gz UNCXMNLMVGHNQT-UHFFFAOYSA-N 0 0 312.439 0.750 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCN(C(C)=O)C1)CC2 ZINC000408354600 160090919 /nfs/dbraw/zinc/09/09/19/160090919.db2.gz LWHNOFHFYOSRFS-CHWSQXEVSA-N 0 0 308.378 0.657 10 0 DCAERN NC(=O)c1cncc(N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000408369248 160093821 /nfs/dbraw/zinc/09/38/21/160093821.db2.gz UKZKHELFYXTXHB-NSHDSACASA-N 0 0 303.366 0.414 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)N1CCO[C@@H](CO)C1 ZINC000408368065 160094040 /nfs/dbraw/zinc/09/40/40/160094040.db2.gz BEFWDZOLYNRKPC-CYBMUJFWSA-N 0 0 322.365 0.143 10 0 DCAERN CCC1(CC)CN(C(=O)CN2CCCC2=O)CCS1(=O)=O ZINC000408378589 160095268 /nfs/dbraw/zinc/09/52/68/160095268.db2.gz FZKYQUWPUHXIKT-UHFFFAOYSA-N 0 0 316.423 0.425 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408381011 160095952 /nfs/dbraw/zinc/09/59/52/160095952.db2.gz GGCBJRCKOKMRDL-RYUDHWBXSA-N 0 0 311.382 0.590 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1=O ZINC000408381046 160095956 /nfs/dbraw/zinc/09/59/56/160095956.db2.gz GTVKRKBDVAWIGW-LPWJVIDDSA-N 0 0 322.409 0.304 10 0 DCAERN COC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000408393035 160099325 /nfs/dbraw/zinc/09/93/25/160099325.db2.gz KZCYIDUTPXQPEL-AVGNSLFASA-N 0 0 306.428 0.747 10 0 DCAERN CC(C)N(C)C(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000408401089 160101220 /nfs/dbraw/zinc/10/12/20/160101220.db2.gz AYYJLSIMGUYDAG-CYBMUJFWSA-N 0 0 317.455 0.353 10 0 DCAERN O=C(c1ccc(O)cc1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000408409949 160102751 /nfs/dbraw/zinc/10/27/51/160102751.db2.gz GYLKSSIMXOTTFZ-UHFFFAOYSA-N 0 0 319.361 0.602 10 0 DCAERN CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCOCC2)C1 ZINC000408414019 160103507 /nfs/dbraw/zinc/10/35/07/160103507.db2.gz XFPACOHQSMVLPP-LBPRGKRZSA-N 0 0 319.427 0.136 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC000408412445 160103625 /nfs/dbraw/zinc/10/36/25/160103625.db2.gz QBVFEPSWCKTFSH-SDDRHHMPSA-N 0 0 304.412 0.340 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1N1CCOCC1 ZINC000408417099 160103731 /nfs/dbraw/zinc/10/37/31/160103731.db2.gz XNXZORJDJWZZIG-WDEREUQCSA-N 0 0 307.350 0.171 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000408435463 160107752 /nfs/dbraw/zinc/10/77/52/160107752.db2.gz XLSCHWVLVABXJG-UMSGYPCISA-N 0 0 308.444 0.727 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCC3(CNC(=O)C3)CC2)nc1 ZINC000408438563 160108491 /nfs/dbraw/zinc/10/84/91/160108491.db2.gz JDHNSZNDIDBSHE-UHFFFAOYSA-N 0 0 302.378 0.890 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1CC(C)(C)O ZINC000408439023 160108651 /nfs/dbraw/zinc/10/86/51/160108651.db2.gz MYPOQBHNSWQYES-SECBINFHSA-N 0 0 318.361 0.656 10 0 DCAERN CC(C)(CNC(=O)[C@]1(C)CCCO1)N1CCS(=O)CC1 ZINC000408444436 160109543 /nfs/dbraw/zinc/10/95/43/160109543.db2.gz VTPDQSZRTJORCO-AWEZNQCLSA-N 0 0 302.440 0.515 10 0 DCAERN CC(C)[C@@H](CO)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000408452060 160110919 /nfs/dbraw/zinc/11/09/19/160110919.db2.gz NLDXVUCVDTZUNS-QWHCGFSZSA-N 0 0 318.439 0.277 10 0 DCAERN CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000408453461 160111750 /nfs/dbraw/zinc/11/17/50/160111750.db2.gz RVDDPYWQEBPRFC-INIZCTEOSA-N 0 0 317.345 0.703 10 0 DCAERN CCOC[C@H](C)CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000408456711 160112508 /nfs/dbraw/zinc/11/25/08/160112508.db2.gz KMQDLLIVGGIEFQ-QWRGUYRKSA-N 0 0 313.441 0.108 10 0 DCAERN CC(C)CN1C[C@@H]2CN(C(=O)C3CC(C)(O)C3)CCN2C1=O ZINC000408462178 160113290 /nfs/dbraw/zinc/11/32/90/160113290.db2.gz YCEIGGUBZUOQTB-UYJPIKCFSA-N 0 0 309.410 0.752 10 0 DCAERN O=C(C[C@H]1CCCCC(=O)N1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408464822 160114170 /nfs/dbraw/zinc/11/41/70/160114170.db2.gz FWTMKALZNHHWEI-GHMZBOCLSA-N 0 0 322.365 0.930 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H]([C@H](C)O)C2)C1 ZINC000408470250 160115135 /nfs/dbraw/zinc/11/51/35/160115135.db2.gz QIDIELYPCZRGKS-MELADBBJSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)(C)c1nnc(N2CC[C@H](NS(C)(=O)=O)C2)s1 ZINC000408471156 160115247 /nfs/dbraw/zinc/11/52/47/160115247.db2.gz RWPLZSUUGFLKOI-QMMMGPOBSA-N 0 0 304.441 0.964 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(CC)C1 ZINC000408474027 160116424 /nfs/dbraw/zinc/11/64/24/160116424.db2.gz ZTISWZKMSXLZDN-DGCLKSJQSA-N 0 0 306.366 0.629 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)Cn1cccn1 ZINC000177319960 286869504 /nfs/dbraw/zinc/86/95/04/286869504.db2.gz VCFAIRBMHCAKHR-NWDGAFQWSA-N 0 0 303.370 0.945 10 0 DCAERN CC[C@@](C)(O)CNS(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000087014512 286930857 /nfs/dbraw/zinc/93/08/57/286930857.db2.gz NLSKIKMSJJDJKP-CQSZACIVSA-N 0 0 315.391 0.841 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC(NC(N)=O)CC2)cc1 ZINC000081541761 286929147 /nfs/dbraw/zinc/92/91/47/286929147.db2.gz FBKSGCLHZWWXFZ-UHFFFAOYSA-N 0 0 320.393 0.444 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000091784050 286936689 /nfs/dbraw/zinc/93/66/89/286936689.db2.gz FVRDDCAQKFSCKL-LBPRGKRZSA-N 0 0 312.753 0.822 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000121466554 286955061 /nfs/dbraw/zinc/95/50/61/286955061.db2.gz NOLJIAMDCIWFNW-UHFFFAOYSA-N 0 0 307.325 0.036 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CC(C(=O)NCC)C1 ZINC000121453924 286955216 /nfs/dbraw/zinc/95/52/16/286955216.db2.gz SKXKLOUZEIAUPX-UHFFFAOYSA-N 0 0 304.412 0.186 10 0 DCAERN CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1c(C)onc1CC ZINC000125313021 286966049 /nfs/dbraw/zinc/96/60/49/286966049.db2.gz XCQOCQSEEVMYLS-LLVKDONJSA-N 0 0 322.365 0.611 10 0 DCAERN C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@H]1C ZINC000125499692 286967048 /nfs/dbraw/zinc/96/70/48/286967048.db2.gz HJBWVUGKINZAMP-MNOVXSKESA-N 0 0 314.349 0.858 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1 ZINC000127527799 286978420 /nfs/dbraw/zinc/97/84/20/286978420.db2.gz UXXQQRKSMJDMAL-GFCCVEGCSA-N 0 0 306.366 0.347 10 0 DCAERN Cc1[nH]c2ccccc2c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000129047369 286986173 /nfs/dbraw/zinc/98/61/73/286986173.db2.gz QKJAMEFNYPDBLR-ZDUSSCGKSA-N 0 0 317.389 0.899 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)N(C)CC(=O)NC(C)(C)C ZINC000131262160 286999204 /nfs/dbraw/zinc/99/92/04/286999204.db2.gz XRWNAIMDBRJKON-UHFFFAOYSA-N 0 0 314.430 0.705 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000132162108 287003826 /nfs/dbraw/zinc/00/38/26/287003826.db2.gz NHHQRIDNOVBYBR-NEPJUHHUSA-N 0 0 306.428 0.325 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)NCc2ccco2)C1 ZINC000132221973 287004200 /nfs/dbraw/zinc/00/42/00/287004200.db2.gz ONSORMJUWRNLJO-MNOVXSKESA-N 0 0 322.365 0.239 10 0 DCAERN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1C ZINC000133873710 287013561 /nfs/dbraw/zinc/01/35/61/287013561.db2.gz RYRLTRWECFKUQR-WDEREUQCSA-N 0 0 306.366 0.171 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000136033484 287024991 /nfs/dbraw/zinc/02/49/91/287024991.db2.gz FOSDADIHRUXDOE-KBPBESRZSA-N 0 0 322.405 0.783 10 0 DCAERN Cc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1O ZINC000151897719 287036732 /nfs/dbraw/zinc/03/67/32/287036732.db2.gz OIUAGMWEKHBLFL-UHFFFAOYSA-N 0 0 313.317 0.783 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000152169467 287039501 /nfs/dbraw/zinc/03/95/01/287039501.db2.gz YVLKAIZGEVZKLV-UHFFFAOYSA-N 0 0 312.329 0.975 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CCn1cccn1 ZINC000152801479 287044455 /nfs/dbraw/zinc/04/44/55/287044455.db2.gz ASBLNOYEYNOUGU-UHFFFAOYSA-N 0 0 304.354 0.587 10 0 DCAERN Cc1cc(C)nc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 ZINC000153029503 287046432 /nfs/dbraw/zinc/04/64/32/287046432.db2.gz WRFGOCWACZZFTH-UHFFFAOYSA-N 0 0 312.333 0.781 10 0 DCAERN COC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(C)c(C)c1 ZINC000186995218 287058093 /nfs/dbraw/zinc/05/80/93/287058093.db2.gz QHUZVBHEYZLVGF-JSGCOSHPSA-N 0 0 304.346 0.770 10 0 DCAERN O=C(NCCN1CCOCC1)c1cccc(C(=O)NC2CC2)c1 ZINC000242913072 287068377 /nfs/dbraw/zinc/06/83/77/287068377.db2.gz GUJCJRDNVBTPQS-UHFFFAOYSA-N 0 0 317.389 0.641 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)CCc2nccs2)[C@@H](C)CO1 ZINC000245540633 287070652 /nfs/dbraw/zinc/07/06/52/287070652.db2.gz KJFAGPHVKPHATB-QWRGUYRKSA-N 0 0 319.452 0.971 10 0 DCAERN C[C@H](O)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245637452 287071522 /nfs/dbraw/zinc/07/15/22/287071522.db2.gz RSPFOHZJQICJGC-FVCCEPFGSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)C[C@H](C)O1 ZINC000245753801 287072890 /nfs/dbraw/zinc/07/28/90/287072890.db2.gz ZEYKNOSGLQXXRH-JGPRNRPPSA-N 0 0 319.365 0.202 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@](C)(O)C1 ZINC000245906907 287074079 /nfs/dbraw/zinc/07/40/79/287074079.db2.gz LVRYTLLSDVHJQA-JSGCOSHPSA-N 0 0 318.439 0.564 10 0 DCAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246195005 287078882 /nfs/dbraw/zinc/07/88/82/287078882.db2.gz OIBHAGGGXTVTTC-ZJUUUORDSA-N 0 0 317.329 0.884 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]2CCCC[C@@H]12 ZINC000248406177 287096650 /nfs/dbraw/zinc/09/66/50/287096650.db2.gz AZGJKLBCMQTVDZ-AGIUHOORSA-N 0 0 305.378 0.584 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)CN1[C@@H](C)CC(O)C[C@@H]1C)C(=O)OC ZINC000248836909 287101956 /nfs/dbraw/zinc/10/19/56/287101956.db2.gz NVGSAEXNIWEPDW-ASHKBJFXSA-N 0 0 314.426 0.924 10 0 DCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000249555323 287113913 /nfs/dbraw/zinc/11/39/13/287113913.db2.gz LUVZARLIEWUWRF-GMXVVIOVSA-N 0 0 318.377 0.837 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@H](CO)CC(C)C)c1 ZINC000255633126 287126154 /nfs/dbraw/zinc/12/61/54/287126154.db2.gz ZBFPCKWBXWRYNO-WSNITJDQSA-N 0 0 305.378 0.978 10 0 DCAERN CNC(=O)COc1cccc(CC(=O)NC[C@H](CO)C2CC2)c1 ZINC000358308337 287206713 /nfs/dbraw/zinc/20/67/13/287206713.db2.gz ONUNRCTVSLWSBM-CQSZACIVSA-N 0 0 320.389 0.489 10 0 DCAERN O=C(CN1C(=O)COc2ccccc21)NC[C@@H](CO)C1CC1 ZINC000358313958 287207280 /nfs/dbraw/zinc/20/72/80/287207280.db2.gz VKILJLQMTCPCFU-LBPRGKRZSA-N 0 0 304.346 0.547 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C2CCN(C(=O)CCOC)CC2)C1=O ZINC000358786442 287213271 /nfs/dbraw/zinc/21/32/71/287213271.db2.gz OIOFWPWIMQQYBB-SCOBNMCVSA-N 0 0 323.393 0.901 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC000408355429 287233829 /nfs/dbraw/zinc/23/38/29/287233829.db2.gz MWIBXZPAZKIWDP-GIPNMCIBSA-N 0 0 303.380 0.221 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)c(F)c1 ZINC000404973636 287232670 /nfs/dbraw/zinc/23/26/70/287232670.db2.gz UHYSEZHXGDAIPS-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000404896059 287232730 /nfs/dbraw/zinc/23/27/30/287232730.db2.gz ANLLXDCFKRLQJH-JTQLQIEISA-N 0 0 300.355 0.891 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1CCN(CC(F)F)CC1 ZINC000408060312 287233167 /nfs/dbraw/zinc/23/31/67/287233167.db2.gz DFGCDLIUTPWCGM-ZJUUUORDSA-N 0 0 307.316 0.388 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C1 ZINC000130733189 196105730 /nfs/dbraw/zinc/10/57/30/196105730.db2.gz ZMBKDFFFRLUYRT-LLVKDONJSA-N 0 0 305.444 0.810 10 0 DCAERN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)[C@H](C)OC)n1 ZINC000521375242 412409070 /nfs/dbraw/zinc/40/90/70/412409070.db2.gz MTRPRDZHGZQMDB-MXWKQRLJSA-N 0 0 312.370 0.569 10 0 DCAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC2(CC1)OCCO2 ZINC000013521231 415150744 /nfs/dbraw/zinc/15/07/44/415150744.db2.gz XTTZGYCHCDVNKU-UHFFFAOYSA-N 0 0 315.329 0.902 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1ccc3c[nH]nc3c1)c2=O ZINC000029373500 415177955 /nfs/dbraw/zinc/17/79/55/415177955.db2.gz DYVZYJZGDZAJSG-UHFFFAOYSA-N 0 0 323.316 0.645 10 0 DCAERN C[C@@H](NC(=O)Cn1cccnc1=O)c1ccc2c(c1)OCCO2 ZINC000025868488 415166050 /nfs/dbraw/zinc/16/60/50/415166050.db2.gz NVYGCERPUQQMKQ-LLVKDONJSA-N 0 0 315.329 0.892 10 0 DCAERN CC1(C)CN(C(=O)c2ccc(C(N)=O)cc2)CCS1(=O)=O ZINC000268370151 415201336 /nfs/dbraw/zinc/20/13/36/415201336.db2.gz LYUBKSJMKZZPCO-UHFFFAOYSA-N 0 0 310.375 0.435 10 0 DCAERN C[C@H](CNC(=O)Nc1ccc(C(N)=O)cc1)N1CCOCC1 ZINC000043712331 415213910 /nfs/dbraw/zinc/21/39/10/415213910.db2.gz VRORLIASJAYGBW-LLVKDONJSA-N 0 0 306.366 0.628 10 0 DCAERN CC(C)(NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(N)=O ZINC000057051361 415336279 /nfs/dbraw/zinc/33/62/79/415336279.db2.gz DKXTXPMBVFESHO-LLVKDONJSA-N 0 0 310.398 0.294 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(C)cc1 ZINC000057050816 415338938 /nfs/dbraw/zinc/33/89/38/415338938.db2.gz NHOSQHSMIULTSE-ZDUSSCGKSA-N 0 0 305.378 0.942 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)CS(C)(=O)=O ZINC000074217591 415426920 /nfs/dbraw/zinc/42/69/20/415426920.db2.gz GDYHFRAOEAGGNJ-NSHDSACASA-N 0 0 316.427 0.771 10 0 DCAERN CCc1nnc(CN2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)[nH]1 ZINC000275581670 415374236 /nfs/dbraw/zinc/37/42/36/415374236.db2.gz FSOUSVVSUWKBCW-LLVKDONJSA-N 0 0 317.397 0.760 10 0 DCAERN C[C@H]1CC[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000332674931 415434073 /nfs/dbraw/zinc/43/40/73/415434073.db2.gz BLDRYSWEVVYICQ-UONOGXRCSA-N 0 0 321.425 1.525 10 0 DCAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[S@](=O)C1 ZINC000332706028 415448232 /nfs/dbraw/zinc/44/82/32/415448232.db2.gz HKFXZWMPBIHKBG-RDXCRGQUSA-N 0 0 301.456 0.927 10 0 DCAERN CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](C)C(C)C)CC1 ZINC000343111216 415454567 /nfs/dbraw/zinc/45/45/67/415454567.db2.gz HFCHFESOVKANTP-GFCCVEGCSA-N 0 0 311.426 0.769 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332729418 415458625 /nfs/dbraw/zinc/45/86/25/415458625.db2.gz YAXDSTDCCDTLKE-WDEREUQCSA-N 0 0 306.370 0.167 10 0 DCAERN NC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000078246651 415464271 /nfs/dbraw/zinc/46/42/71/415464271.db2.gz SRUDJRMMPPVRAC-SNVBAGLBSA-N 0 0 310.741 0.230 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)N(C(C)=O)C1 ZINC000332766914 415469231 /nfs/dbraw/zinc/46/92/31/415469231.db2.gz WJZHQAYOUQZSAR-FONWIUJUSA-N 0 0 312.410 0.942 10 0 DCAERN C[C@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)O1 ZINC000332768502 415470515 /nfs/dbraw/zinc/47/05/15/415470515.db2.gz KAVSUCLMLODVCO-HEQLZXTPSA-N 0 0 306.366 0.376 10 0 DCAERN CN(C)c1ncccc1N(C)C(=O)CCN1C(=O)CCC1=O ZINC000079722991 415472830 /nfs/dbraw/zinc/47/28/30/415472830.db2.gz NOKVHGAWXDEAJQ-UHFFFAOYSA-N 0 0 304.350 0.650 10 0 DCAERN COC[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000085822652 415504083 /nfs/dbraw/zinc/50/40/83/415504083.db2.gz RCHHXXMIRMPBKZ-STQMWFEESA-N 0 0 306.428 0.005 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1nc[nH]n1)c1ccccc1 ZINC000086169720 415509725 /nfs/dbraw/zinc/50/97/25/415509725.db2.gz ASKNRISATUIFGK-ZJUUUORDSA-N 0 0 308.363 0.844 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)CNC(=O)c1ccccn1 ZINC000088353703 415514188 /nfs/dbraw/zinc/51/41/88/415514188.db2.gz FUWGXKVVTVGNNH-UHFFFAOYSA-N 0 0 310.317 0.801 10 0 DCAERN Cc1cc(N2CC[C@H](N3CC[C@@]4(CNC(=O)C4)C3)C2=O)n(C)n1 ZINC000278928416 415514595 /nfs/dbraw/zinc/51/45/95/415514595.db2.gz SKCPTWLHSKHTGK-BLLLJJGKSA-N 0 0 317.393 0.046 10 0 DCAERN COC(C)(C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088212679 415514703 /nfs/dbraw/zinc/51/47/03/415514703.db2.gz JVDBWXYJFOBPTG-CYBMUJFWSA-N 0 0 311.426 0.567 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)NCc2nnc3ccccn32)C1 ZINC000088767569 415517234 /nfs/dbraw/zinc/51/72/34/415517234.db2.gz BVODLNKPWTYYAS-LLVKDONJSA-N 0 0 309.395 0.796 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000343362041 415575232 /nfs/dbraw/zinc/57/52/32/415575232.db2.gz XTMRALDAQPEBPU-JKSUJKDBSA-N 0 0 315.373 0.878 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(Br)c[nH]1 ZINC000089752012 415523585 /nfs/dbraw/zinc/52/35/85/415523585.db2.gz DXBXYHXYUGLHOK-LURJTMIESA-N 0 0 300.112 0.312 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000333003522 415526958 /nfs/dbraw/zinc/52/69/58/415526958.db2.gz JGRBTSDCWFBONJ-QWRGUYRKSA-N 0 0 308.407 0.626 10 0 DCAERN CO[C@@H](C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1)C1CC1 ZINC000280200602 415532780 /nfs/dbraw/zinc/53/27/80/415532780.db2.gz FIWJIPDXPYHPIY-VXGBXAGGSA-N 0 0 306.366 0.692 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N1CCOCC12CCC2 ZINC000333015414 415532775 /nfs/dbraw/zinc/53/27/75/415532775.db2.gz CAPLKTRFSXHLEW-UHFFFAOYSA-N 0 0 302.338 0.190 10 0 DCAERN C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)n1cncn1 ZINC000333070412 415545345 /nfs/dbraw/zinc/54/53/45/415545345.db2.gz OQQPBKBNWKXQFM-UPJWGTAASA-N 0 0 305.382 0.746 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)c1cccnc1 ZINC000102903269 415601278 /nfs/dbraw/zinc/60/12/78/415601278.db2.gz NTDFPERADIPNSN-ZDUSSCGKSA-N 0 0 306.366 0.632 10 0 DCAERN CC(C)N1C(=O)C[C@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)C1=O ZINC000333412400 415640439 /nfs/dbraw/zinc/64/04/39/415640439.db2.gz KINORZOUAWFCRB-VWYCJHECSA-N 0 0 318.395 0.009 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)Cn1c2ccccc2[nH]c1=O ZINC000106810171 415648503 /nfs/dbraw/zinc/64/85/03/415648503.db2.gz AQBKNLVWZTYYAF-NSHDSACASA-N 0 0 302.334 0.067 10 0 DCAERN COc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](C)O)C(C)C ZINC000098078126 415588703 /nfs/dbraw/zinc/58/87/03/415588703.db2.gz SZSUCKYCAYXDCK-RISCZKNCSA-N 0 0 308.378 0.947 10 0 DCAERN Cc1cc(C)n(-c2ccc(N3CC(=O)N(C)[C@H](C)C3)nn2)n1 ZINC000283440663 415588753 /nfs/dbraw/zinc/58/87/53/415588753.db2.gz HWOCQGGLXPXXHF-GFCCVEGCSA-N 0 0 300.366 0.946 10 0 DCAERN O=C([C@H]1CCCC(=O)N1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000333534310 415676406 /nfs/dbraw/zinc/67/64/06/415676406.db2.gz YNJKVHPNJAULMC-IQJOONFLSA-N 0 0 308.300 0.817 10 0 DCAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N[C@@H]3CCCNC3=O)O2)n1 ZINC000333722556 415725502 /nfs/dbraw/zinc/72/55/02/415725502.db2.gz ODFLZKFVBAMRLU-MXWKQRLJSA-N 0 0 323.353 0.176 10 0 DCAERN COC(=O)c1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112660300 415711596 /nfs/dbraw/zinc/71/15/96/415711596.db2.gz CIQLVGZRGYTXSW-GFCCVEGCSA-N 0 0 300.318 0.810 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc(N2CCCC2)nn1 ZINC000112650602 415713403 /nfs/dbraw/zinc/71/34/03/415713403.db2.gz KZJSVLNMZRMKGW-NSHDSACASA-N 0 0 313.365 0.413 10 0 DCAERN CCC(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000333803768 415744201 /nfs/dbraw/zinc/74/42/01/415744201.db2.gz YREZCBYDVMIDDW-OLZOCXBDSA-N 0 0 324.425 0.903 10 0 DCAERN NC(=O)C1(NC(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000119617900 415746973 /nfs/dbraw/zinc/74/69/73/415746973.db2.gz BWUBKPIIBVGTRJ-UHFFFAOYSA-N 0 0 306.272 0.898 10 0 DCAERN CCCc1cc(=O)n2nc(N[C@@H]3CCN(C)C3=O)sc2n1 ZINC000150925149 196604035 /nfs/dbraw/zinc/60/40/35/196604035.db2.gz SQMXPUINNAXCIU-SECBINFHSA-N 0 0 307.379 0.746 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NC(C)(C)CN2CCOCC2)CCO1 ZINC000333923430 415764125 /nfs/dbraw/zinc/76/41/25/415764125.db2.gz SDXPOLPNDPYGQS-OLZOCXBDSA-N 0 0 320.455 0.584 10 0 DCAERN CO[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000120407164 415767597 /nfs/dbraw/zinc/76/75/97/415767597.db2.gz FUGWNUZXQQTGFS-GJZGRUSLSA-N 0 0 308.378 0.183 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c1C ZINC000120508628 415768621 /nfs/dbraw/zinc/76/86/21/415768621.db2.gz NCOSYBMKUHJBKV-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN c1c2n(nc1-c1nc([C@@H]3CN4CCN3CC4)no1)CCCC2 ZINC000333865431 415756551 /nfs/dbraw/zinc/75/65/51/415756551.db2.gz SPTAQTMSLSKLSU-ZDUSSCGKSA-N 0 0 300.366 0.942 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1 ZINC000122362449 415832133 /nfs/dbraw/zinc/83/21/33/415832133.db2.gz ICZPMHWRVOOLCX-LLVKDONJSA-N 0 0 310.375 0.579 10 0 DCAERN C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000120666078 415779383 /nfs/dbraw/zinc/77/93/83/415779383.db2.gz ZRIPBKXVNJFVRO-YGRLFVJLSA-N 0 0 321.406 0.861 10 0 DCAERN C[N@@H+]1CCC[C@H]1CNC(=O)CCCNC(=O)c1cccnc1 ZINC000120770070 415782908 /nfs/dbraw/zinc/78/29/08/415782908.db2.gz ACJVKLQPVQEKAE-AWEZNQCLSA-N 0 0 304.394 0.802 10 0 DCAERN O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N1CCC[C@H]1CO ZINC000120905155 415787111 /nfs/dbraw/zinc/78/71/11/415787111.db2.gz SYKHQROJAJUOBP-ZDUSSCGKSA-N 0 0 318.377 0.604 10 0 DCAERN COc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]2CO)cc1F ZINC000120981275 415789914 /nfs/dbraw/zinc/78/99/14/415789914.db2.gz OBAIBHOTZPVUSU-QMMMGPOBSA-N 0 0 314.288 0.895 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCC1 ZINC000334042532 415791254 /nfs/dbraw/zinc/79/12/54/415791254.db2.gz OVBBYICWLUTVQV-TUAOUCFPSA-N 0 0 301.408 0.743 10 0 DCAERN CC1(C)CCC[C@]1(O)CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000334102967 415806341 /nfs/dbraw/zinc/80/63/41/415806341.db2.gz WZTPMMHLFHAKCY-ZOWXZIJZSA-N 0 0 323.397 0.458 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCS1(=O)=O ZINC000121771223 415816258 /nfs/dbraw/zinc/81/62/58/415816258.db2.gz BAKCVGAFSANKLU-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN CN(C(=O)Cc1cnn(C)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121916004 415820238 /nfs/dbraw/zinc/82/02/38/415820238.db2.gz HEJRMGDFRAVVAA-AWEZNQCLSA-N 0 0 314.393 0.880 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121970462 415824081 /nfs/dbraw/zinc/82/40/81/415824081.db2.gz OTDOLCGNEPBZTL-UWVGGRQHSA-N 0 0 314.363 0.043 10 0 DCAERN CCn1c(N)c(C(=O)CN(C)Cc2ccc(C)o2)c(=O)[nH]c1=O ZINC000127992920 415896513 /nfs/dbraw/zinc/89/65/13/415896513.db2.gz SBIKXHQHRGEMRA-UHFFFAOYSA-N 0 0 320.349 0.355 10 0 DCAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cnc2n1CCC2 ZINC000356353748 415903538 /nfs/dbraw/zinc/90/35/38/415903538.db2.gz APDKZHFPSZEPKI-JTQLQIEISA-N 0 0 313.379 0.546 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000129651873 415910100 /nfs/dbraw/zinc/91/01/00/415910100.db2.gz PCXMBBMVLYIADF-UTUOFQBUSA-N 0 0 318.439 0.466 10 0 DCAERN COCCS(=O)(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000129784272 415912569 /nfs/dbraw/zinc/91/25/69/415912569.db2.gz LQLWYTTWDOAQOS-NSHDSACASA-N 0 0 310.379 0.894 10 0 DCAERN Cc1cc(C(=O)N2CCN(C3CC3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000124746200 415853438 /nfs/dbraw/zinc/85/34/38/415853438.db2.gz SCSOWLDJMJETQR-UHFFFAOYSA-N 0 0 315.377 0.490 10 0 DCAERN CN1C[C@@H](NC(=O)NCCC(=O)N2CCCCCC2)CCC1=O ZINC000125025239 415857031 /nfs/dbraw/zinc/85/70/31/415857031.db2.gz HYWCUIOCHDQGOQ-ZDUSSCGKSA-N 0 0 324.425 0.699 10 0 DCAERN CC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000336911515 415859693 /nfs/dbraw/zinc/85/96/93/415859693.db2.gz JEJKHSGXRPQQHU-NSHDSACASA-N 0 0 304.412 0.661 10 0 DCAERN CCNC(=O)CN(CC)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000133500326 415946632 /nfs/dbraw/zinc/94/66/32/415946632.db2.gz GFLZDEGCPWILAM-GFCCVEGCSA-N 0 0 307.398 0.292 10 0 DCAERN O=C(Nc1ccc2ncccc2c1)C(=O)N1CCNC(=O)CC1 ZINC000133716677 415949499 /nfs/dbraw/zinc/94/94/99/415949499.db2.gz OIKDCUHHDYVAEP-UHFFFAOYSA-N 0 0 312.329 0.522 10 0 DCAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCO[C@@H](Cn2cccn2)C1 ZINC000134331320 415956522 /nfs/dbraw/zinc/95/65/22/415956522.db2.gz WROHWMYSSSGYCU-OLZOCXBDSA-N 0 0 315.377 0.954 10 0 DCAERN O=C(Nc1cc(C2CCCC2)[nH]n1)C1CC2(C1)NC(=O)NC2=O ZINC000158708730 416001313 /nfs/dbraw/zinc/00/13/13/416001313.db2.gz ZWRNKEOYODSOPT-UHFFFAOYSA-N 0 0 317.349 0.994 10 0 DCAERN CC1(C)C[C@H]1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152765819 415969690 /nfs/dbraw/zinc/96/96/90/415969690.db2.gz HWFWYUFQLPDUFB-NSHDSACASA-N 0 0 300.366 0.819 10 0 DCAERN Cn1ccc(N2CCC[C@H](NC(=O)[C@@]3(C)CCCO3)C2=O)n1 ZINC000153524540 415982921 /nfs/dbraw/zinc/98/29/21/415982921.db2.gz XAKMKFDQNOGTKH-XHDPSFHLSA-N 0 0 306.366 0.601 10 0 DCAERN CC(=O)c1ccsc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000297995894 415986720 /nfs/dbraw/zinc/98/67/20/415986720.db2.gz XVACXESIBXDKCL-UHFFFAOYSA-N 0 0 309.303 0.310 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000155181486 415994835 /nfs/dbraw/zinc/99/48/35/415994835.db2.gz QEDGDHHWIIZPMR-LBPRGKRZSA-N 0 0 320.397 0.923 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155127554 415995100 /nfs/dbraw/zinc/99/51/00/415995100.db2.gz VCYMBUFXWWXEMT-LLVKDONJSA-N 0 0 306.428 0.037 10 0 DCAERN Cc1c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cnn1C ZINC000344504701 415932517 /nfs/dbraw/zinc/93/25/17/415932517.db2.gz XYZUWNADZHRHQM-KGLIPLIRSA-N 0 0 310.373 0.500 10 0 DCAERN CC(C)(C)C(=O)NCCNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000172575556 416047473 /nfs/dbraw/zinc/04/74/73/416047473.db2.gz QYRDWWXVYDHOHU-GHMZBOCLSA-N 0 0 312.414 0.492 10 0 DCAERN CN(C)C(=O)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000174490849 416079733 /nfs/dbraw/zinc/07/97/33/416079733.db2.gz WDDPCMLBPLHZSB-UHFFFAOYSA-N 0 0 317.389 0.886 10 0 DCAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ncccn3)CCO2)[nH]1 ZINC000173383466 416057508 /nfs/dbraw/zinc/05/75/08/416057508.db2.gz XYCMHTBKUZFSBS-ONGXEEELSA-N 0 0 317.353 0.304 10 0 DCAERN CC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173424249 416058709 /nfs/dbraw/zinc/05/87/09/416058709.db2.gz GNUJZAYTYYHTMP-RYUDHWBXSA-N 0 0 322.413 0.557 10 0 DCAERN CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccon2)CC1 ZINC000173629081 416062343 /nfs/dbraw/zinc/06/23/43/416062343.db2.gz VPLLNYWGJJKBBA-NSHDSACASA-N 0 0 309.370 0.026 10 0 DCAERN CCc1nc(C2(NCc3nc(N)nc(N)n3)CCCC2)no1 ZINC000173699719 416063206 /nfs/dbraw/zinc/06/32/06/416063206.db2.gz HQEZCYAYPHNTCK-UHFFFAOYSA-N 0 0 304.358 0.541 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cccc(O)c3)CCO2)[nH]1 ZINC000173754816 416064255 /nfs/dbraw/zinc/06/42/55/416064255.db2.gz FOHGXJSHNGQPDL-ZDUSSCGKSA-N 0 0 302.334 0.961 10 0 DCAERN COc1ncccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173773520 416066254 /nfs/dbraw/zinc/06/62/54/416066254.db2.gz DHWCDYKEZUVFRZ-CQSZACIVSA-N 0 0 320.393 0.706 10 0 DCAERN CCOCCOCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173877882 416067493 /nfs/dbraw/zinc/06/74/93/416067493.db2.gz HKSVSBAAFXOQNP-UONOGXRCSA-N 0 0 300.399 0.219 10 0 DCAERN CN(C)c1ccnc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173978241 416069454 /nfs/dbraw/zinc/06/94/54/416069454.db2.gz JGSHEGNRRJGNAU-CQSZACIVSA-N 0 0 304.394 0.694 10 0 DCAERN Cn1nccc1CNC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000173949861 416069507 /nfs/dbraw/zinc/06/95/07/416069507.db2.gz MUFMVWCSGDLKGL-OAHLLOKOSA-N 0 0 321.425 0.816 10 0 DCAERN Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](N3CCOCC3)C2)no1 ZINC000173941664 416069520 /nfs/dbraw/zinc/06/95/20/416069520.db2.gz SBAZGPOLYODSCM-ZDUSSCGKSA-N 0 0 308.382 0.718 10 0 DCAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCc1ccc(F)cc1 ZINC000173992352 416070534 /nfs/dbraw/zinc/07/05/34/416070534.db2.gz GVLSIJYFXYTNBJ-MRXNPFEDSA-N 0 0 321.396 0.848 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCN2CCCC[C@H]2C1 ZINC000174344029 416077601 /nfs/dbraw/zinc/07/76/01/416077601.db2.gz RORGGMQGRTVNGQ-ZDUSSCGKSA-N 0 0 317.455 0.355 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000158820378 416003274 /nfs/dbraw/zinc/00/32/74/416003274.db2.gz HLIKCWOOQMHBSW-ZJUUUORDSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C(C)C)c1 ZINC000158854217 416003905 /nfs/dbraw/zinc/00/39/05/416003905.db2.gz BFQQZPVSOVPYKN-GFCCVEGCSA-N 0 0 301.364 0.768 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000166729090 416022887 /nfs/dbraw/zinc/02/28/87/416022887.db2.gz NOAHBDXGSPNUGK-ZDUSSCGKSA-N 0 0 314.345 0.843 10 0 DCAERN CC(C)C(=O)N1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000298716399 416024036 /nfs/dbraw/zinc/02/40/36/416024036.db2.gz JEOYACBTGGLUBM-UHFFFAOYSA-N 0 0 300.366 0.967 10 0 DCAERN O[C@@H](COC[C@H]1CCCO1)CN1CCN(c2cccnn2)CC1 ZINC000171126812 416035545 /nfs/dbraw/zinc/03/55/45/416035545.db2.gz IVICDDMNTHHHRI-HUUCEWRRSA-N 0 0 322.409 0.155 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000171012201 416036583 /nfs/dbraw/zinc/03/65/83/416036583.db2.gz PQPRPBMLCXUAKL-NWDGAFQWSA-N 0 0 312.414 0.553 10 0 DCAERN NC(=O)[C@H]1CC(C(=O)N[C@@H]2CCCOC2)=NN1c1ccccc1 ZINC000171686522 416039564 /nfs/dbraw/zinc/03/95/64/416039564.db2.gz LZNMVNJBAUXIQA-BXUZGUMPSA-N 0 0 316.361 0.402 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H]3CC(=O)N(C4CC4)C3)sc2n1 ZINC000301479116 416084173 /nfs/dbraw/zinc/08/41/73/416084173.db2.gz CTWMQSDFASDAKH-SECBINFHSA-N 0 0 319.390 0.889 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CSc2n[nH]c(C)n2)CC1 ZINC000174672058 416084368 /nfs/dbraw/zinc/08/43/68/416084368.db2.gz WHZMOQCBDDGRSI-LLVKDONJSA-N 0 0 313.427 0.120 10 0 DCAERN CN1CCO[C@H](C(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000174640450 416084415 /nfs/dbraw/zinc/08/44/15/416084415.db2.gz XQGWKFLYOBFHBB-AWEZNQCLSA-N 0 0 304.394 0.497 10 0 DCAERN Cc1noc(C)c1CN1CCN(c2cncc(C(N)=O)n2)CC1 ZINC000301537295 416085606 /nfs/dbraw/zinc/08/56/06/416085606.db2.gz UGPCKRQQTSUBPL-UHFFFAOYSA-N 0 0 316.365 0.503 10 0 DCAERN CCCC(=O)NC[C@@H]1CCCN(c2cncc(C(N)=O)n2)C1 ZINC000301546568 416087480 /nfs/dbraw/zinc/08/74/80/416087480.db2.gz WWZYSYWIITXVLE-NSHDSACASA-N 0 0 305.382 0.708 10 0 DCAERN Cc1noc(-c2ccnc(NC[C@H]3CN4CCN3CC4)c2)n1 ZINC000301759498 416091844 /nfs/dbraw/zinc/09/18/44/416091844.db2.gz FNQGTUCPPIGESM-ZDUSSCGKSA-N 0 0 300.366 0.852 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc[nH]3)C2=O)n(C)n1 ZINC000174989757 416092104 /nfs/dbraw/zinc/09/21/04/416092104.db2.gz MYFOGBGMBBLQAO-GFCCVEGCSA-N 0 0 301.350 0.982 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccnc1 ZINC000174971603 416093085 /nfs/dbraw/zinc/09/30/85/416093085.db2.gz RWWKXWRQNUAWGR-SMDDNHRTSA-N 0 0 313.361 0.840 10 0 DCAERN CC[NH+]1CCN(c2ccc(C(=O)NCC(=O)N(C)C)cc2)CC1 ZINC000175001537 416094738 /nfs/dbraw/zinc/09/47/38/416094738.db2.gz ZTICXWNJFFERAT-UHFFFAOYSA-N 0 0 318.421 0.647 10 0 DCAERN CCCN(CC(=O)NC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000357558371 416096064 /nfs/dbraw/zinc/09/60/64/416096064.db2.gz LIQJCNVTGQKULJ-UHFFFAOYSA-N 0 0 307.350 0.812 10 0 DCAERN C[C@](O)(CNC(=O)N[C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000175117047 416096730 /nfs/dbraw/zinc/09/67/30/416096730.db2.gz PUGKLLMGJKRMKQ-YGRLFVJLSA-N 0 0 305.338 0.393 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3C[C@H](CO)O[C@@H](C)C3)n2)n1 ZINC000302744666 416098623 /nfs/dbraw/zinc/09/86/23/416098623.db2.gz DVQYTWIFBMMWBD-QWHCGFSZSA-N 0 0 303.366 0.865 10 0 DCAERN Cc1cc(C(=O)NC[C@H](C)N2CCOCC2)c2cnn(C)c2n1 ZINC000175261097 416100898 /nfs/dbraw/zinc/10/08/98/416100898.db2.gz QXHJJPHSHKCGTE-LBPRGKRZSA-N 0 0 317.393 0.727 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000345517063 416107484 /nfs/dbraw/zinc/10/74/84/416107484.db2.gz HDBNEADYIZCDKT-NWDGAFQWSA-N 0 0 320.349 0.450 10 0 DCAERN NS(=O)(=O)CCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000178019282 416156214 /nfs/dbraw/zinc/15/62/14/416156214.db2.gz RVYFZFBEHCDFHP-ZDUSSCGKSA-N 0 0 300.380 0.444 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000176027128 416118121 /nfs/dbraw/zinc/11/81/21/416118121.db2.gz LEDIBWGXQZJWQC-WCQYABFASA-N 0 0 304.346 0.478 10 0 DCAERN CC(C)N1CC[C@@H](NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000176079651 416118436 /nfs/dbraw/zinc/11/84/36/416118436.db2.gz UBIRUTGYLSRNQN-SKDRFNHKSA-N 0 0 323.315 0.704 10 0 DCAERN CSCCCCCNC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000357728484 416122355 /nfs/dbraw/zinc/12/23/55/416122355.db2.gz LAPIYJCFBZRLQS-RYUDHWBXSA-N 0 0 302.440 0.865 10 0 DCAERN O=S(=O)(c1c[nH]cn1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000328613579 416122976 /nfs/dbraw/zinc/12/29/76/416122976.db2.gz SKYGSWDBYFOJOH-MNOVXSKESA-N 0 0 313.404 0.868 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000176662594 416131784 /nfs/dbraw/zinc/13/17/84/416131784.db2.gz DSQBHHAJQNTSIV-UONOGXRCSA-N 0 0 314.345 0.616 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)Nc1cnn(CC(F)F)c1 ZINC000176747666 416132494 /nfs/dbraw/zinc/13/24/94/416132494.db2.gz YWBHVEQXHPVCLV-UHFFFAOYSA-N 0 0 310.326 0.368 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000357802563 416133214 /nfs/dbraw/zinc/13/32/14/416133214.db2.gz XTCUTWASLRTVEU-SDDRHHMPSA-N 0 0 312.414 0.552 10 0 DCAERN CC(=O)N1CCN(C(=O)NC[C@H](C)Cn2cccn2)[C@@H](C)C1 ZINC000357804076 416135509 /nfs/dbraw/zinc/13/55/09/416135509.db2.gz YZLJVLRUJVMQLX-STQMWFEESA-N 0 0 307.398 0.781 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000176898128 416136381 /nfs/dbraw/zinc/13/63/81/416136381.db2.gz NQDLUPRZCRPWPQ-QMTHXVAHSA-N 0 0 306.410 0.953 10 0 DCAERN Cn1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2=O)cn1 ZINC000176970722 416137632 /nfs/dbraw/zinc/13/76/32/416137632.db2.gz MVQXSBIPAMIIQC-UHFFFAOYSA-N 0 0 324.344 0.281 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328903375 416139862 /nfs/dbraw/zinc/13/98/62/416139862.db2.gz HUQUFXKFMJYFNE-ZNMIVQPWSA-N 0 0 309.410 0.176 10 0 DCAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)n(C)n1 ZINC000177257838 416143869 /nfs/dbraw/zinc/14/38/69/416143869.db2.gz YRQUDJGDJUTNIE-TZMCWYRMSA-N 0 0 321.425 0.320 10 0 DCAERN O=C(NCCNC(=O)N1CCC[C@@H]1Cn1ccnc1)C1CC1 ZINC000177356782 416144118 /nfs/dbraw/zinc/14/41/18/416144118.db2.gz AWIXJFQHCQEFRR-CYBMUJFWSA-N 0 0 305.382 0.583 10 0 DCAERN Cc1nc(CCNC(=O)N(C)Cc2nnnn2C)sc1C ZINC000357880842 416146224 /nfs/dbraw/zinc/14/62/24/416146224.db2.gz QVDLNDLFDRIHOH-UHFFFAOYSA-N 0 0 309.399 0.668 10 0 DCAERN COC(=O)c1cccc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)n1 ZINC000357899877 416150518 /nfs/dbraw/zinc/15/05/18/416150518.db2.gz ACBUYBMQHRWAKH-JTQLQIEISA-N 0 0 305.334 0.561 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1N1CCOCC1 ZINC000177867501 416152539 /nfs/dbraw/zinc/15/25/39/416152539.db2.gz TYNGAHAFRIMBPV-OCCSQVGLSA-N 0 0 320.393 0.570 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CC[C@@H](O)C1 ZINC000174572914 416081275 /nfs/dbraw/zinc/08/12/75/416081275.db2.gz GSWXCXRLHWSNGS-MRXNPFEDSA-N 0 0 303.406 0.397 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000178689117 416169091 /nfs/dbraw/zinc/16/90/91/416169091.db2.gz COBKMXTXFLSNBU-KBPBESRZSA-N 0 0 312.410 0.633 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178699778 416169191 /nfs/dbraw/zinc/16/91/91/416169191.db2.gz ANIYFVLVPMBTIN-GOEBONIOSA-N 0 0 311.341 0.586 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCCNC(=O)c1cccnc1)C(C)C ZINC000178724938 416170835 /nfs/dbraw/zinc/17/08/35/416170835.db2.gz NLOGQDMFYBMPDD-AWEZNQCLSA-N 0 0 320.393 0.478 10 0 DCAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(C)C ZINC000178721968 416171310 /nfs/dbraw/zinc/17/13/10/416171310.db2.gz NMXCABZQYOFGRQ-PSASIEDQSA-N 0 0 323.315 0.284 10 0 DCAERN CNC(=O)[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(C)C ZINC000178927121 416177396 /nfs/dbraw/zinc/17/73/96/416177396.db2.gz REPJRNAUDQXDEU-CYBMUJFWSA-N 0 0 312.391 0.938 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000178934288 416177852 /nfs/dbraw/zinc/17/78/52/416177852.db2.gz ADHGUEUUDMVKRM-LLVKDONJSA-N 0 0 317.353 0.554 10 0 DCAERN CNC(=O)[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C)C(C)C ZINC000178932253 416178360 /nfs/dbraw/zinc/17/83/60/416178360.db2.gz MXESFWLCRUCMLM-GFCCVEGCSA-N 0 0 306.366 0.986 10 0 DCAERN Cc1conc1NC(=O)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000179047550 416180593 /nfs/dbraw/zinc/18/05/93/416180593.db2.gz GJQOJLOCARLUOM-NWDGAFQWSA-N 0 0 301.302 0.696 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)C(C)C ZINC000179067538 416181814 /nfs/dbraw/zinc/18/18/14/416181814.db2.gz ILIZVKWKEIDALA-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(-c2ccccn2)n1 ZINC000180199230 416193263 /nfs/dbraw/zinc/19/32/63/416193263.db2.gz MPOHUCBGIOTGPA-NSHDSACASA-N 0 0 318.358 0.531 10 0 DCAERN CC(C)Cn1ncnc1CS(=O)(=O)CC(=O)NC(C)(C)C ZINC000180177136 416193574 /nfs/dbraw/zinc/19/35/74/416193574.db2.gz WVLJJZRUTGREHW-UHFFFAOYSA-N 0 0 316.427 0.764 10 0 DCAERN COCCCOCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180167838 416194102 /nfs/dbraw/zinc/19/41/02/416194102.db2.gz FHMHORVOBDVKGP-GFCCVEGCSA-N 0 0 310.398 0.886 10 0 DCAERN CCN(CC)C(=O)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000180211849 416194636 /nfs/dbraw/zinc/19/46/36/416194636.db2.gz IWKWQCRKLOUMPP-UHFFFAOYSA-N 0 0 320.440 0.387 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1CO ZINC000330202413 416197599 /nfs/dbraw/zinc/19/75/99/416197599.db2.gz ZGKFMLPSTBWSOZ-ZIAGYGMSSA-N 0 0 318.439 0.564 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)[C@H](C)OC ZINC000358129743 416198345 /nfs/dbraw/zinc/19/83/45/416198345.db2.gz UFAGWZOZRIZOOJ-NAKRPEOUSA-N 0 0 317.386 0.165 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181384423 416206490 /nfs/dbraw/zinc/20/64/90/416206490.db2.gz GTEGIJJMTGZBRY-CQSZACIVSA-N 0 0 321.425 0.590 10 0 DCAERN COc1ncccc1C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181449895 416208924 /nfs/dbraw/zinc/20/89/24/416208924.db2.gz YHAOKIBRBPBTLF-CYBMUJFWSA-N 0 0 301.350 0.610 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCCN1CC=C(C)CC1 ZINC000358194966 416209045 /nfs/dbraw/zinc/20/90/45/416209045.db2.gz JTNNAQHFFSGJEQ-UHFFFAOYSA-N 0 0 304.412 0.511 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCc2ncoc2C)C1 ZINC000358204555 416211777 /nfs/dbraw/zinc/21/17/77/416211777.db2.gz AVPMKXGYMKEAFR-LLVKDONJSA-N 0 0 322.365 0.116 10 0 DCAERN CCOc1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 ZINC000181777764 416211930 /nfs/dbraw/zinc/21/19/30/416211930.db2.gz QLCQBHFWOKCRMV-UHFFFAOYSA-N 0 0 317.349 0.822 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCC2(CO)CCC2)[C@H]1c1cccnc1 ZINC000182301311 416217261 /nfs/dbraw/zinc/21/72/61/416217261.db2.gz GMEGHEFQIMKMKC-DZGCQCFKSA-N 0 0 317.389 0.880 10 0 DCAERN COCc1nc(CN2CCCC[C@H]2CN2CCOCC2)no1 ZINC000182518606 416225106 /nfs/dbraw/zinc/22/51/06/416225106.db2.gz BBMNIIZDGGOMPF-ZDUSSCGKSA-N 0 0 310.398 0.903 10 0 DCAERN Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000182538900 416225823 /nfs/dbraw/zinc/22/58/23/416225823.db2.gz QCYMSMSPENKVMW-SKDRFNHKSA-N 0 0 308.382 0.661 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2nc[nH]n2)C1 ZINC000182695437 416230028 /nfs/dbraw/zinc/23/00/28/416230028.db2.gz KEEWIPXBKTWXGH-NWDGAFQWSA-N 0 0 320.397 0.056 10 0 DCAERN CCC[C@](C)(O)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000178524141 416164392 /nfs/dbraw/zinc/16/43/92/416164392.db2.gz LDKCTEAUNKJCDF-LRDDRELGSA-N 0 0 322.409 0.891 10 0 DCAERN Cc1ccnc2nc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3O)nn21 ZINC000178555195 416165968 /nfs/dbraw/zinc/16/59/68/416165968.db2.gz ZRLLZDJEPMGKSU-STQMWFEESA-N 0 0 309.329 0.821 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000287843948 287326509 /nfs/dbraw/zinc/32/65/09/287326509.db2.gz QOWCPDSSLKFJCV-VXGBXAGGSA-N 0 0 305.382 0.878 10 0 DCAERN CC(CO)(CO)NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000183525827 416244043 /nfs/dbraw/zinc/24/40/43/416244043.db2.gz ZYJGOUZTXHQFHV-UHFFFAOYSA-N 0 0 301.289 0.787 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000358514015 416247934 /nfs/dbraw/zinc/24/79/34/416247934.db2.gz NEORBUACLFXSJV-MRXNPFEDSA-N 0 0 317.345 0.835 10 0 DCAERN CO[C@@H]1CN(C(=O)N[C@@H](C)CCS(C)(=O)=O)CC[C@@H]1C ZINC000187654716 416263295 /nfs/dbraw/zinc/26/32/95/416263295.db2.gz AEXRPRTWBVXDRA-SDDRHHMPSA-N 0 0 306.428 0.876 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000358689356 416270035 /nfs/dbraw/zinc/27/00/35/416270035.db2.gz MGCSXSAJVAXMBO-TZMCWYRMSA-N 0 0 309.410 0.857 10 0 DCAERN CN1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1=O ZINC000189790599 416272316 /nfs/dbraw/zinc/27/23/16/416272316.db2.gz DXXKXEQZOGRQTL-GFCCVEGCSA-N 0 0 301.346 0.803 10 0 DCAERN CN(C)c1noc(CNC(=O)NCCc2ccccc2O)n1 ZINC000358982994 416300217 /nfs/dbraw/zinc/30/02/17/416300217.db2.gz QAZIYHKSUKKYRM-UHFFFAOYSA-N 0 0 305.338 0.883 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)c3cnn(-c4cccnc4)c3)C[C@@H]21 ZINC000352198649 416305136 /nfs/dbraw/zinc/30/51/36/416305136.db2.gz YFCSGMKBLQGZOP-LSDHHAIUSA-N 0 0 313.361 0.422 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193461072 416317754 /nfs/dbraw/zinc/31/77/54/416317754.db2.gz DOCMWFKKFKBJBX-JTQLQIEISA-N 0 0 316.361 0.947 10 0 DCAERN O=C(NCCn1ncnn1)Nc1nc(C(F)(F)F)cs1 ZINC000359306020 416320126 /nfs/dbraw/zinc/32/01/26/416320126.db2.gz MWVVBQPGDRJGDZ-UHFFFAOYSA-N 0 0 307.261 0.970 10 0 DCAERN COC(=O)[C@@H](NCC1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000358813588 416278925 /nfs/dbraw/zinc/27/89/25/416278925.db2.gz LPKZMQQVSQQOFX-LBPRGKRZSA-N 0 0 304.412 0.199 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000190598119 416281899 /nfs/dbraw/zinc/28/18/99/416281899.db2.gz YBBVONJONKWQTB-OLZOCXBDSA-N 0 0 312.414 0.812 10 0 DCAERN COC(=O)[C@H](NCCNC(=O)c1ccc(OC)cc1)C1CC1 ZINC000358841308 416282885 /nfs/dbraw/zinc/28/28/85/416282885.db2.gz VCBPIZFCBZMFIY-CQSZACIVSA-N 0 0 306.362 0.966 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(c3ncccc3Cl)CC2)C1 ZINC000191797184 416290063 /nfs/dbraw/zinc/29/00/63/416290063.db2.gz GYFZROKZRARBOU-UHFFFAOYSA-N 0 0 322.796 0.862 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)[C@@H](C)NC(=O)c2ccccc2)C1=O ZINC000358899299 416290739 /nfs/dbraw/zinc/29/07/39/416290739.db2.gz FXZJBYWRBODCKT-OCCSQVGLSA-N 0 0 317.389 0.930 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN(C)Cc2cocn2)CC1 ZINC000191939461 416293561 /nfs/dbraw/zinc/29/35/61/416293561.db2.gz BZWOFEVGMDVGBF-UHFFFAOYSA-N 0 0 309.366 0.908 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192028539 416296642 /nfs/dbraw/zinc/29/66/42/416296642.db2.gz NZVLVJRFSIXHCG-JQWIXIFHSA-N 0 0 308.382 0.926 10 0 DCAERN COc1cccc(C(=O)NCC(=O)NC[C@H](CO)C2CC2)c1 ZINC000359779395 416358457 /nfs/dbraw/zinc/35/84/57/416358457.db2.gz WQOAVJTXNGWNKF-CYBMUJFWSA-N 0 0 306.362 0.560 10 0 DCAERN COCCOC1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C1 ZINC000359478862 416347568 /nfs/dbraw/zinc/34/75/68/416347568.db2.gz FOJBITFLXQIBFJ-GFCCVEGCSA-N 0 0 306.362 0.679 10 0 DCAERN C[C@H](NC(=O)[C@H]1CNC(=O)C1)C1CCN(CC(F)(F)F)CC1 ZINC000194659193 416323945 /nfs/dbraw/zinc/32/39/45/416323945.db2.gz JHVWNDAPTPIOIR-GXSJLCMTSA-N 0 0 321.343 0.902 10 0 DCAERN CN1CC[C@H](C(=O)NCc2ccnc(-n3ccnc3)c2)CC1=O ZINC000194658298 416324201 /nfs/dbraw/zinc/32/42/01/416324201.db2.gz ZXCSZGKPUFQHRE-ZDUSSCGKSA-N 0 0 313.361 0.752 10 0 DCAERN COc1ccccc1N1CCC(NC(=O)NCCC(N)=O)CC1 ZINC000194978700 416325276 /nfs/dbraw/zinc/32/52/76/416325276.db2.gz QIYAKEBNTSKUNV-UHFFFAOYSA-N 0 0 320.393 0.839 10 0 DCAERN COc1ccnc(N2CCN(Cc3nnnn3C(C)C)CC2)n1 ZINC000195103197 416325278 /nfs/dbraw/zinc/32/52/78/416325278.db2.gz ROVLGRFHPCGIFA-UHFFFAOYSA-N 0 0 318.385 0.375 10 0 DCAERN CC(=O)NCCCNC(=O)NCCCc1nc(C(C)C)no1 ZINC000195465655 416326723 /nfs/dbraw/zinc/32/67/23/416326723.db2.gz XAATVLMTPRBXED-UHFFFAOYSA-N 0 0 311.386 0.951 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)Nc2cc(C)n(C)n2)c1 ZINC000359979262 416367612 /nfs/dbraw/zinc/36/76/12/416367612.db2.gz VTZJTDQZIAGEKU-UHFFFAOYSA-N 0 0 323.378 1.281 10 0 DCAERN COC(=O)C1(CS(=O)(=O)NCc2ccn(C)n2)CCC1 ZINC000360182015 416378074 /nfs/dbraw/zinc/37/80/74/416378074.db2.gz GAADBZHJSIYDOV-UHFFFAOYSA-N 0 0 301.368 0.183 10 0 DCAERN C[C@H](NC(=O)N1CCC[C@](O)(C(F)(F)F)C1)C(=O)N(C)C ZINC000360301259 416384748 /nfs/dbraw/zinc/38/47/48/416384748.db2.gz RPLUJVGXCMAONL-GZMMTYOYSA-N 0 0 311.304 0.562 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CC=CCC2)C1 ZINC000360324357 416386052 /nfs/dbraw/zinc/38/60/52/416386052.db2.gz KGSGCAIXMCWUHW-UONOGXRCSA-N 0 0 321.421 0.928 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CCO1 ZINC000360489404 416392269 /nfs/dbraw/zinc/39/22/69/416392269.db2.gz GUBINOAREGVKKQ-GFCCVEGCSA-N 0 0 318.333 0.646 10 0 DCAERN CCOC(=O)c1cccc(OC[C@H](O)CN2CC(=O)N(C)C2)c1 ZINC000360486399 416392345 /nfs/dbraw/zinc/39/23/45/416392345.db2.gz FGUZVUWDXZBANA-CYBMUJFWSA-N 0 0 322.361 0.335 10 0 DCAERN CSCC[C@@H](NC(=O)c1cccc2ncnn21)C(=O)N(C)C ZINC000360801209 416411188 /nfs/dbraw/zinc/41/11/88/416411188.db2.gz XPLAXHGMECBGNM-SNVBAGLBSA-N 0 0 321.406 0.669 10 0 DCAERN O=C(CN1CCSC[C@@H]1CCO)NC(=O)NC1CCCC1 ZINC000533019937 416469394 /nfs/dbraw/zinc/46/93/94/416469394.db2.gz LEKDBPYLLHTFJU-LBPRGKRZSA-N 0 0 315.439 0.555 10 0 DCAERN CCN(C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533035738 416469473 /nfs/dbraw/zinc/46/94/73/416469473.db2.gz XZAGSPUFOQSIQH-RDBSUJKOSA-N 0 0 321.439 0.052 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2nc(C)cc(C(F)(F)F)n2)C1 ZINC000583616907 416478473 /nfs/dbraw/zinc/47/84/73/416478473.db2.gz YFNOVIKUVUOLLO-YUMQZZPRSA-N 0 0 304.272 0.883 10 0 DCAERN CN1C[C@@H](NC(=O)c2cncnc2N)CC[C@H]1C(F)(F)F ZINC000583620078 416480478 /nfs/dbraw/zinc/48/04/78/416480478.db2.gz UXDYNAHTFYWVIU-CBAPKCEASA-N 0 0 303.288 0.814 10 0 DCAERN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@H]2C[C@@H]2C)c1C ZINC000361708200 416482192 /nfs/dbraw/zinc/48/21/92/416482192.db2.gz YGTBFJHIBCLPNQ-WCBMZHEXSA-N 0 0 308.338 0.075 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1Cl ZINC000361175467 416423908 /nfs/dbraw/zinc/42/39/08/416423908.db2.gz GJZBEPQCFVTPPF-UHFFFAOYSA-N 0 0 323.736 0.739 10 0 DCAERN CN(C)C(=O)CCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361193446 416425028 /nfs/dbraw/zinc/42/50/28/416425028.db2.gz FCJYPYDILXOINY-NSHDSACASA-N 0 0 311.304 0.564 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCC(=O)NCC(F)F)cn1 ZINC000361374988 416432898 /nfs/dbraw/zinc/43/28/98/416432898.db2.gz YZVZJLCDWPCDLO-UHFFFAOYSA-N 0 0 316.308 0.318 10 0 DCAERN C/C=C\C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)OCC ZINC000361531481 416444629 /nfs/dbraw/zinc/44/46/29/416444629.db2.gz AFTGXEKPWDERCX-MZBZXASESA-N 0 0 310.350 0.540 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000532705683 416450904 /nfs/dbraw/zinc/45/09/04/416450904.db2.gz IVJFYVKANLBKAD-KKUMJFAQSA-N 0 0 315.410 0.959 10 0 DCAERN C/C=C\C[C@H](NC(=O)CS(=O)(=O)CCC)C(=O)OCC ZINC000361570767 416453018 /nfs/dbraw/zinc/45/30/18/416453018.db2.gz XYONWMSIOGMMOD-IBHLPDHGSA-N 0 0 305.396 0.825 10 0 DCAERN COCCNC(=O)C1(NC(=O)c2cccc3nccnc32)CC1 ZINC000458357220 416458092 /nfs/dbraw/zinc/45/80/92/416458092.db2.gz HNJFIJCPJYZSNP-UHFFFAOYSA-N 0 0 314.345 0.655 10 0 DCAERN CC[C@H](NC(=O)N[C@H]1CCN(c2ccccc2)C1=O)C(=O)NC ZINC000458379355 416459714 /nfs/dbraw/zinc/45/97/14/416459714.db2.gz YEOWAOHAXSZZTE-STQMWFEESA-N 0 0 318.377 0.616 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O ZINC000532829245 416460560 /nfs/dbraw/zinc/46/05/60/416460560.db2.gz VSHXQSDQHUECME-VIFPVBQESA-N 0 0 309.384 0.846 10 0 DCAERN Cn1cc(C(=O)C(=O)NCC[C@H]2COc3ccccc3O2)cn1 ZINC000361918113 416522291 /nfs/dbraw/zinc/52/22/91/416522291.db2.gz DBWFJZDRDQDVOR-LBPRGKRZSA-N 0 0 315.329 0.949 10 0 DCAERN C[C@@]1(CNC(=O)NC[C@H](CO)c2ccccc2)CCC(=O)N1 ZINC000459167884 416525936 /nfs/dbraw/zinc/52/59/36/416525936.db2.gz UZMWAYRZVVDOBL-CJNGLKHVSA-N 0 0 305.378 0.730 10 0 DCAERN C/C=C\C[C@@H](NS(=O)(=O)N(C)CCOC)C(=O)OCC ZINC000361957497 416534540 /nfs/dbraw/zinc/53/45/40/416534540.db2.gz KXOBPBBGTKAUMW-JPVGGKMYSA-N 0 0 308.400 0.297 10 0 DCAERN CCOc1ccc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1F ZINC000459353565 416535670 /nfs/dbraw/zinc/53/56/70/416535670.db2.gz SXUBNWSHCJAJEO-NSHDSACASA-N 0 0 323.328 0.999 10 0 DCAERN CCn1nncc1CN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000459367812 416537596 /nfs/dbraw/zinc/53/75/96/416537596.db2.gz CWYCYFNMWNLVCC-UHFFFAOYSA-N 0 0 315.377 0.962 10 0 DCAERN COCCCNC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361986833 416540493 /nfs/dbraw/zinc/54/04/93/416540493.db2.gz RNYSPPUZXTUPDP-MRXNPFEDSA-N 0 0 322.405 0.919 10 0 DCAERN NS(=O)(=O)CCCN1CCO[C@H](COc2ccccc2)C1 ZINC000361987819 416540588 /nfs/dbraw/zinc/54/05/88/416540588.db2.gz UMLPOEFQTZZRSE-AWEZNQCLSA-N 0 0 314.407 0.445 10 0 DCAERN Cc1cc(NC(=O)NC[C@H](O)Cn2ccnn2)cc2n[nH]cc21 ZINC000459479061 416545318 /nfs/dbraw/zinc/54/53/18/416545318.db2.gz JJWRLXRYBGWCKC-NSHDSACASA-N 0 0 315.337 0.645 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000436412882 416555532 /nfs/dbraw/zinc/55/55/32/416555532.db2.gz PRGWOFZJXQGUFJ-INIZCTEOSA-N 0 0 315.329 0.337 10 0 DCAERN Cc1cc(C[C@@H](C)NC(=O)c2ccc3n[nH]c(=O)n3c2)[nH]n1 ZINC000534259262 416496101 /nfs/dbraw/zinc/49/61/01/416496101.db2.gz PDAGIYBLZJBDHV-MRVPVSSYSA-N 0 0 300.322 0.827 10 0 DCAERN CC(C)[C@H](O)CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000434912099 416505696 /nfs/dbraw/zinc/50/56/96/416505696.db2.gz FSRNMROJZICEMJ-LLVKDONJSA-N 0 0 323.393 1.578 10 0 DCAERN CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435103823 416509399 /nfs/dbraw/zinc/50/93/99/416509399.db2.gz CHHIWXGXEWJKBY-JTQLQIEISA-N 0 0 309.366 1.332 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cn1 ZINC000361891264 416518151 /nfs/dbraw/zinc/51/81/51/416518151.db2.gz WPSMGTQVYJUIQO-ZUZCIYMTSA-N 0 0 322.365 0.196 10 0 DCAERN CCCN(C(=O)c1cccc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000541062701 416602967 /nfs/dbraw/zinc/60/29/67/416602967.db2.gz SDMZABCXJKBYNA-NSHDSACASA-N 0 0 322.390 0.769 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC(CCO)CC2)n1 ZINC000541405194 416607229 /nfs/dbraw/zinc/60/72/29/416607229.db2.gz PGPKWTUCBAUHKN-UHFFFAOYSA-N 0 0 323.397 0.593 10 0 DCAERN CCOC(=O)c1cnc(SC[C@@H](COC)OC)nc1N ZINC000594880394 416567942 /nfs/dbraw/zinc/56/79/42/416567942.db2.gz DPTXKPUAEKNHET-MRVPVSSYSA-N 0 0 301.368 0.989 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)ccc1O ZINC000436713985 416568204 /nfs/dbraw/zinc/56/82/04/416568204.db2.gz GWROXMQUAUWKGA-QWRGUYRKSA-N 0 0 322.361 0.887 10 0 DCAERN CC(=O)c1ccc(NC(=O)c2ccnc(S(C)(=O)=O)n2)nc1 ZINC000436873795 416574547 /nfs/dbraw/zinc/57/45/47/416574547.db2.gz SULBYVLYDDRTBG-UHFFFAOYSA-N 0 0 320.330 0.730 10 0 DCAERN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCSC[C@H]1CCO ZINC000539312145 416576502 /nfs/dbraw/zinc/57/65/02/416576502.db2.gz FJHSRBPUXPDLAG-VXGBXAGGSA-N 0 0 310.423 0.776 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C)CO1 ZINC000437290497 416582694 /nfs/dbraw/zinc/58/26/94/416582694.db2.gz JYLXJNPVCQLXOM-NXEZZACHSA-N 0 0 309.370 0.607 10 0 DCAERN Brc1cncnc1NCc1nnnn1CC1CC1 ZINC000546732154 416678174 /nfs/dbraw/zinc/67/81/74/416678174.db2.gz KFXCKRNEPLBDBR-UHFFFAOYSA-N 0 0 310.159 1.248 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000441799905 416680927 /nfs/dbraw/zinc/68/09/27/416680927.db2.gz JXNRQZXTFBCODC-QMMMGPOBSA-N 0 0 322.287 0.357 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cccc(CCCO)c1 ZINC000542915493 416636108 /nfs/dbraw/zinc/63/61/08/416636108.db2.gz PBOCSISSKRIUPY-UHFFFAOYSA-N 0 0 300.380 0.489 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H](C)CN2CCOCC2)n1 ZINC000441233739 416666423 /nfs/dbraw/zinc/66/64/23/416666423.db2.gz NKEQGRYIASOEDI-CYBMUJFWSA-N 0 0 322.409 0.653 10 0 DCAERN COc1cccc(CCNC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000441263241 416667243 /nfs/dbraw/zinc/66/72/43/416667243.db2.gz QMHMBRXWBIEFGB-ZDUSSCGKSA-N 0 0 322.409 0.653 10 0 DCAERN COc1cccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1 ZINC000442054661 416686173 /nfs/dbraw/zinc/68/61/73/416686173.db2.gz JRAMMCLBZTZZCR-LBPRGKRZSA-N 0 0 324.402 0.960 10 0 DCAERN O[C@H](CNc1ccnc(N2CCOCC2)n1)Cc1ccccc1 ZINC000553706329 416707002 /nfs/dbraw/zinc/70/70/02/416707002.db2.gz PBNHAENEYVNPDQ-HNNXBMFYSA-N 0 0 314.389 1.329 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000442921518 416720005 /nfs/dbraw/zinc/72/00/05/416720005.db2.gz RMGBAKBAPXZWBX-GXFFZTMASA-N 0 0 304.412 0.436 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@H]2C1 ZINC000516600815 416729549 /nfs/dbraw/zinc/72/95/49/416729549.db2.gz GYJXOIXGLFZBRE-WSMBLCCSSA-N 0 0 321.421 0.666 10 0 DCAERN CCc1nc(C(C)(C)NS(=O)(=O)C[C@H](C)C(=O)OC)no1 ZINC000443152385 416733568 /nfs/dbraw/zinc/73/35/68/416733568.db2.gz BHNMCOGZJWVVSY-QMMMGPOBSA-N 0 0 319.383 0.596 10 0 DCAERN CC(C)CO[C@@H](C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 ZINC000557462864 416734670 /nfs/dbraw/zinc/73/46/70/416734670.db2.gz MFISKDFRFLJIKY-LBPRGKRZSA-N 0 0 320.455 0.835 10 0 DCAERN CC(=O)c1cccc(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 ZINC000615121374 416764707 /nfs/dbraw/zinc/76/47/07/416764707.db2.gz IDFJQFVHOKGJKA-CYBMUJFWSA-N 0 0 313.361 0.730 10 0 DCAERN COc1cccc([C@@H](O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000369389602 416765698 /nfs/dbraw/zinc/76/56/98/416765698.db2.gz QLKHZIGJTHRWKW-UKRRQHHQSA-N 0 0 306.362 0.272 10 0 DCAERN Cc1nc(C)c(CCC(=O)N2CCNC[C@@](C)(F)C2)c(=O)[nH]1 ZINC000517142719 416782319 /nfs/dbraw/zinc/78/23/19/416782319.db2.gz WQUKVOWMJHJNBI-OAHLLOKOSA-N 0 0 310.373 0.892 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000369476475 416785674 /nfs/dbraw/zinc/78/56/74/416785674.db2.gz LPSDHYMENJXZPU-LLVKDONJSA-N 0 0 310.379 0.793 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)NCCN1C(=O)CNC1=O ZINC000559562488 416817385 /nfs/dbraw/zinc/81/73/85/416817385.db2.gz BZCYMMVYORXJOO-UHFFFAOYSA-N 0 0 308.342 0.217 10 0 DCAERN CC(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000623693761 416869356 /nfs/dbraw/zinc/86/93/56/416869356.db2.gz OXZBERDYEHMRFN-MROQNXINSA-N 0 0 313.398 0.332 10 0 DCAERN CCOC[C@H](O)CN[C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC000444766072 416870053 /nfs/dbraw/zinc/87/00/53/416870053.db2.gz KTORHTSXQZDHFS-TYNCELHUSA-N 0 0 303.399 0.720 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CC1 ZINC000615632671 416874813 /nfs/dbraw/zinc/87/48/13/416874813.db2.gz VKPFOZYPGHNGJJ-CDMKHQONSA-N 0 0 309.366 0.248 10 0 DCAERN C[C@@H](CNC(=O)N1CCC[C@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000370118016 416883212 /nfs/dbraw/zinc/88/32/12/416883212.db2.gz ZJLCESLEHQOOGG-STQMWFEESA-N 0 0 322.413 0.414 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC000369858234 416838064 /nfs/dbraw/zinc/83/80/64/416838064.db2.gz WGTHQSDNVIQMQQ-VXGBXAGGSA-N 0 0 319.409 0.760 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)NC)c2)C1=O ZINC000445947642 416906853 /nfs/dbraw/zinc/90/68/53/416906853.db2.gz VQLUNFWFYZXDBA-PCAWENJQSA-N 0 0 323.374 0.986 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)[C@@H](C)C1 ZINC000632106609 416907836 /nfs/dbraw/zinc/90/78/36/416907836.db2.gz KKRNAJUTPPQNEZ-GXSJLCMTSA-N 0 0 310.366 0.914 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@H](C(C)C)C2=O)c1 ZINC000445947269 416908937 /nfs/dbraw/zinc/90/89/37/416908937.db2.gz SLEJSKIYGAUQME-LLVKDONJSA-N 0 0 311.363 0.676 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C(=O)N2CC[C@H](O)C(C)(C)C2)n1 ZINC000446188811 416918964 /nfs/dbraw/zinc/91/89/64/416918964.db2.gz XTCBHIBKNQKVJC-JTQLQIEISA-N 0 0 323.397 0.591 10 0 DCAERN Cn1cnc(CCNC(=O)C(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000446299112 416920738 /nfs/dbraw/zinc/92/07/38/416920738.db2.gz GFBCXCMFYMSGPG-UHFFFAOYSA-N 0 0 304.354 0.308 10 0 DCAERN Cc1ccc(C(=O)C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000447743040 417021803 /nfs/dbraw/zinc/02/18/03/417021803.db2.gz FZRPCMZLCKGADU-INIZCTEOSA-N 0 0 315.329 0.378 10 0 DCAERN O=C(CN1CCOCC1=O)NC1(C(F)(F)F)CCOCC1 ZINC000520962347 416983598 /nfs/dbraw/zinc/98/35/98/416983598.db2.gz QWBFCUDOCDRXJU-UHFFFAOYSA-N 0 0 310.272 0.073 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC1(CO)CCC1 ZINC000447277031 416983999 /nfs/dbraw/zinc/98/39/99/416983999.db2.gz FXNPJORRESBQJP-UHFFFAOYSA-N 0 0 319.361 0.639 10 0 DCAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCN1CCCS1(=O)=O ZINC000521257532 417000424 /nfs/dbraw/zinc/00/04/24/417000424.db2.gz LAJWJUJLRCKSDV-UTUOFQBUSA-N 0 0 302.396 0.207 10 0 DCAERN CCCN(C(=O)c1cn2cccnc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000521273128 417002970 /nfs/dbraw/zinc/00/29/70/417002970.db2.gz VGHIJTAXWOSNPO-NSHDSACASA-N 0 0 322.390 0.769 10 0 DCAERN Cn1cc(Br)c(CN[C@@H]2CCCNC(=O)C2)n1 ZINC000393336397 417103894 /nfs/dbraw/zinc/10/38/94/417103894.db2.gz XXSBCDKOJRFWPC-MRVPVSSYSA-N 0 0 301.188 0.941 10 0 DCAERN Cc1ccc(NCCCNC(=O)N2CC[C@H](CC(N)=O)C2)nc1 ZINC000376631869 417035819 /nfs/dbraw/zinc/03/58/19/417035819.db2.gz IAULGCFNIFSKEQ-CYBMUJFWSA-N 0 0 319.409 1.099 10 0 DCAERN CCn1cc(O[C@@H]2CN(c3nccc(OC)n3)C[C@H]2O)cn1 ZINC000624420257 417037199 /nfs/dbraw/zinc/03/71/99/417037199.db2.gz NXGJMCXEMBFMJQ-VXGBXAGGSA-N 0 0 305.338 0.330 10 0 DCAERN c1cnc(N2CCN(c3nccnc3OC3CCC3)CC2)nn1 ZINC000624445027 417038770 /nfs/dbraw/zinc/03/87/70/417038770.db2.gz WOAPCZBCNXISEP-UHFFFAOYSA-N 0 0 313.365 0.920 10 0 DCAERN CC(=O)CN(C(C)C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632378452 417052628 /nfs/dbraw/zinc/05/26/28/417052628.db2.gz SQGFEUHSHBYZLN-GFCCVEGCSA-N 0 0 302.396 0.379 10 0 DCAERN CC(=O)CCCCCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632416411 417073933 /nfs/dbraw/zinc/07/39/33/417073933.db2.gz SJBBZQBWVQTMKF-CYBMUJFWSA-N 0 0 316.423 0.819 10 0 DCAERN C[C@@H]1CN(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C[C@@H](C(N)=O)O1 ZINC000378131213 417076747 /nfs/dbraw/zinc/07/67/47/417076747.db2.gz HHDDRCOKFIKFIX-DGTMBMJNSA-N 0 0 311.426 0.502 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1S(N)(=O)=O ZINC000616615546 417082485 /nfs/dbraw/zinc/08/24/85/417082485.db2.gz APCNHMVHAKCUAV-JTQLQIEISA-N 0 0 307.416 0.959 10 0 DCAERN O=C(NCc1nnc2ccccn21)c1ccc(-n2ccnc2)nn1 ZINC000523511790 417085878 /nfs/dbraw/zinc/08/58/78/417085878.db2.gz XCQWFMLGHVVBFI-UHFFFAOYSA-N 0 0 320.316 0.635 10 0 DCAERN CS(=O)(=O)N1CCO[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000616644318 417086861 /nfs/dbraw/zinc/08/68/61/417086861.db2.gz WIBPHAYQADKNFO-LLVKDONJSA-N 0 0 305.377 0.078 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2cccc3ccnnc32)C1 ZINC000616651410 417088473 /nfs/dbraw/zinc/08/84/73/417088473.db2.gz NNZSHFJKUSTLIL-LBPRGKRZSA-N 0 0 308.363 0.597 10 0 DCAERN Nc1ncccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1 ZINC000616650793 417088486 /nfs/dbraw/zinc/08/84/86/417088486.db2.gz ANFZBJHNROJQSW-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN CN1C(=O)CC[C@@H](NC(=O)c2coc(Br)c2)C1=O ZINC000385991797 417089389 /nfs/dbraw/zinc/08/93/89/417089389.db2.gz PWNOKEINNAHBQS-SSDOTTSWSA-N 0 0 315.123 0.919 10 0 DCAERN CC(=O)N[C@@H]1CCN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665229 417090157 /nfs/dbraw/zinc/09/01/57/417090157.db2.gz BXRTZVIEDYXIGJ-LBPRGKRZSA-N 0 0 301.387 0.696 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616652465 417090564 /nfs/dbraw/zinc/09/05/64/417090564.db2.gz ZXPZFXWJYIYDRY-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN CC(C)(C)OC(=O)NC[C@@H]1CCOCCN1S(C)(=O)=O ZINC000616657326 417091392 /nfs/dbraw/zinc/09/13/92/417091392.db2.gz AIYVIXDVJLAOAD-JTQLQIEISA-N 0 0 308.400 0.562 10 0 DCAERN COCc1nc(C(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)cs1 ZINC000616769798 417108108 /nfs/dbraw/zinc/10/81/08/417108108.db2.gz LXDUJJQRIBJKGC-QRTLGDNMSA-N 0 0 308.363 0.590 10 0 DCAERN CC(=O)N1CCN(C(=O)C[S@@](=O)C(C)(C)C(C)C)CC1 ZINC000431201602 417109705 /nfs/dbraw/zinc/10/97/05/417109705.db2.gz FPEIDICNZKEXMD-HXUWFJFHSA-N 0 0 302.440 0.860 10 0 DCAERN O=C(COc1ccc(CO)cc1)N[C@@H]1C[C@H](O)[C@H]1n1cccn1 ZINC000616776390 417110142 /nfs/dbraw/zinc/11/01/42/417110142.db2.gz ARQVKNJLZYPXQH-YCPHGPKFSA-N 0 0 317.345 0.245 10 0 DCAERN COc1cc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)on1 ZINC000616864410 417123392 /nfs/dbraw/zinc/12/33/92/417123392.db2.gz BZVAYTDWNTXSMC-NSHDSACASA-N 0 0 308.338 0.906 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCCC[C@H]1C ZINC000408029022 417134661 /nfs/dbraw/zinc/13/46/61/417134661.db2.gz VWTBKQYAMJIOFL-AGIUHOORSA-N 0 0 306.428 0.841 10 0 DCAERN C[C@H]1CCCCN1CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000407963607 417130257 /nfs/dbraw/zinc/13/02/57/417130257.db2.gz PUVLWSFJHHJYKB-STQMWFEESA-N 0 0 317.455 0.689 10 0 DCAERN COC(=O)[C@H]1CSCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408420191 417160830 /nfs/dbraw/zinc/16/08/30/417160830.db2.gz SLXWOKKPDLBWQT-NXEZZACHSA-N 0 0 308.425 0.511 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2cc(C(N)=O)cs2)CC12COC2 ZINC000449365420 417144223 /nfs/dbraw/zinc/14/42/23/417144223.db2.gz PMRAFKHYGWSGPT-GFCCVEGCSA-N 0 0 324.402 0.859 10 0 DCAERN CC(C)(C)OC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1COCCO1 ZINC000408302160 417153382 /nfs/dbraw/zinc/15/33/82/417153382.db2.gz DZSHWIMGVQYVNQ-QWRGUYRKSA-N 0 0 317.407 0.688 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCO[C@@H](CO)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408369967 417156179 /nfs/dbraw/zinc/15/61/79/417156179.db2.gz FDUOCWFGCAIFTD-BARDWOONSA-N 0 0 314.426 0.340 10 0 DCAERN CC(=O)N[C@H](C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC000526034621 417175166 /nfs/dbraw/zinc/17/51/66/417175166.db2.gz HIHWZXKVLAEMRL-XJKSGUPXSA-N 0 0 312.410 0.944 10 0 DCAERN CC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000526057320 417178717 /nfs/dbraw/zinc/17/87/17/417178717.db2.gz OTQLJVBYCSPMDJ-HZPDHXFCSA-N 0 0 315.373 0.640 10 0 DCAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C)C[C@H]1CO ZINC000632577902 417178834 /nfs/dbraw/zinc/17/88/34/417178834.db2.gz ZUCDWQHAGGOSCK-NSHDSACASA-N 0 0 318.826 0.945 10 0 DCAERN CS(=O)(=O)C1(CNC(=O)c2cn3cccnc3n2)CCC1 ZINC000527014441 417200999 /nfs/dbraw/zinc/20/09/99/417200999.db2.gz VPQUQLOJAJCGPJ-UHFFFAOYSA-N 0 0 308.363 0.426 10 0 DCAERN Cc1nc2ccc(C(=O)N3CC[C@@H](NC(N)=O)C3)cc2n1C ZINC000527002783 417201199 /nfs/dbraw/zinc/20/11/99/417201199.db2.gz KAVGDGSQANLMTH-LLVKDONJSA-N 0 0 301.350 0.765 10 0 DCAERN O=S(=O)(c1cccnc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632670351 417221393 /nfs/dbraw/zinc/22/13/93/417221393.db2.gz UCJFZWQRKZLYOO-WCBMZHEXSA-N 0 0 310.297 0.873 10 0 DCAERN CS(=O)(=O)C1(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CC1 ZINC000525925679 417164529 /nfs/dbraw/zinc/16/45/29/417164529.db2.gz PFAZBLAKJHJOMO-UHFFFAOYSA-N 0 0 321.362 0.306 10 0 DCAERN Cc1cnn(-c2ccc(C(=O)NCC3(CO)COC3)cc2)c1 ZINC000438222770 287368406 /nfs/dbraw/zinc/36/84/06/287368406.db2.gz DHTVELKEJWBKGR-UHFFFAOYSA-N 0 0 301.346 0.919 10 0 DCAERN C/C=C\C[C@H](NC(=O)Cn1cc(C(C)=O)nn1)C(=O)OCC ZINC000450918948 417282862 /nfs/dbraw/zinc/28/28/62/417282862.db2.gz XBLAYSRBYRTBBM-QZPNVGJNSA-N 0 0 308.338 0.495 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCCC(=O)NC3CC3)C[C@H]21 ZINC000569267973 417233608 /nfs/dbraw/zinc/23/36/08/417233608.db2.gz QXBGSDFGFTUDDH-KGLIPLIRSA-N 0 0 324.425 0.160 10 0 DCAERN CC(=O)NC[C@H](CC(=O)N1CC(n2ccnn2)C1)CC(C)C ZINC000450492989 417233856 /nfs/dbraw/zinc/23/38/56/417233856.db2.gz YMOXLTNGVVARDE-ZDUSSCGKSA-N 0 0 307.398 0.850 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ncc(C(=O)OC)cn2)CC12COC2 ZINC000450563414 417237691 /nfs/dbraw/zinc/23/76/91/417237691.db2.gz HVZXSPFOEQRYFA-NSHDSACASA-N 0 0 321.333 0.279 10 0 DCAERN CCOC(=O)[C@H]1CN(c2cc(C)nc(OC)n2)CC12COC2 ZINC000450571023 417238670 /nfs/dbraw/zinc/23/86/70/417238670.db2.gz PSJMQWCYDPYDJM-LLVKDONJSA-N 0 0 307.350 0.810 10 0 DCAERN CC(=O)NCCN(CC[C@@H](C)O)[C@@H](C)C(=O)OC(C)(C)C ZINC000450716270 417260558 /nfs/dbraw/zinc/26/05/58/417260558.db2.gz YCHSGJGOEQOBGN-NEPJUHHUSA-N 0 0 302.415 0.926 10 0 DCAERN CCOC(=O)[C@@H]1CN(CC(=O)c2cccn2C)CC12COC2 ZINC000451128483 417302436 /nfs/dbraw/zinc/30/24/36/417302436.db2.gz BLVZIWCDUGZTAE-LBPRGKRZSA-N 0 0 306.362 0.719 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2nnnn2C2CC2)CC12COC2 ZINC000451125733 417302505 /nfs/dbraw/zinc/30/25/05/417302505.db2.gz NZSLOUKMUJURQP-LLVKDONJSA-N 0 0 307.354 0.020 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2ccnn2C)C1 ZINC000643718802 417319154 /nfs/dbraw/zinc/31/91/54/417319154.db2.gz HURHIBKGDAEMGF-ZJUUUORDSA-N 0 0 311.367 0.294 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000633307094 417404468 /nfs/dbraw/zinc/40/44/68/417404468.db2.gz IGJIMWRTFCHALE-AWEZNQCLSA-N 0 0 324.402 0.717 10 0 DCAERN O=C(CC1(n2cnnn2)CCOCC1)NCC[C@@H]1CC1(F)F ZINC000622206919 417418003 /nfs/dbraw/zinc/41/80/03/417418003.db2.gz PSTPUFNRCITOTI-SNVBAGLBSA-N 0 0 315.324 0.730 10 0 DCAERN O=C(c1cn(CC2CC2)nn1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000622329356 417429134 /nfs/dbraw/zinc/42/91/34/417429134.db2.gz IONJJUCGBVEKKU-LBPRGKRZSA-N 0 0 318.381 0.318 10 0 DCAERN CCOC(=O)[C@H]1CN(S(=O)(=O)N(CC)CC)CC12COC2 ZINC000451619904 417365651 /nfs/dbraw/zinc/36/56/51/417365651.db2.gz LGWVWELKNNFQLC-LLVKDONJSA-N 0 0 320.411 0.085 10 0 DCAERN CCCNC(=O)CN1CCCc2c(OCC(N)=O)cccc21 ZINC000451673670 417376805 /nfs/dbraw/zinc/37/68/05/417376805.db2.gz UYHNTJOGARANML-UHFFFAOYSA-N 0 0 305.378 0.830 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452058970 417438221 /nfs/dbraw/zinc/43/82/21/417438221.db2.gz NYJHDAZYBYLVFP-NEPJUHHUSA-N 0 0 318.443 0.451 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)CC12COC2 ZINC000452233190 417462620 /nfs/dbraw/zinc/46/26/20/417462620.db2.gz YPGFBJQXRKNLST-NSHDSACASA-N 0 0 308.334 0.943 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)CCCC(=O)OC)CC12COC2 ZINC000452266773 417463773 /nfs/dbraw/zinc/46/37/73/417463773.db2.gz UCNLPXOARZJPLT-LLVKDONJSA-N 0 0 313.350 0.368 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)CC(=O)N1 ZINC000453919749 417537493 /nfs/dbraw/zinc/53/74/93/417537493.db2.gz LTQLOEPKJKHWQW-JTQLQIEISA-N 0 0 317.345 0.297 10 0 DCAERN O=C(CNCC(F)(F)F)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530076154 417538300 /nfs/dbraw/zinc/53/83/00/417538300.db2.gz NPVREFRJDSRXPD-SECBINFHSA-N 0 0 304.272 0.998 10 0 DCAERN O=S1(=O)CCC[C@@H]1c1nc(I)no1 ZINC000575600135 417540295 /nfs/dbraw/zinc/54/02/95/417540295.db2.gz NGPQHQZFFJCNKK-SCSAIBSYSA-N 0 0 314.104 0.924 10 0 DCAERN Nc1cc(I)ccc1NS(N)(=O)=O ZINC000575471637 417540343 /nfs/dbraw/zinc/54/03/43/417540343.db2.gz GASNRRUJQSSMPK-UHFFFAOYSA-N 0 0 313.120 0.489 10 0 DCAERN O=S1(=O)CCC[C@@H]1c1nnc(I)o1 ZINC000575599108 417540447 /nfs/dbraw/zinc/54/04/47/417540447.db2.gz SPPNUOURKSMTIQ-SCSAIBSYSA-N 0 0 314.104 0.924 10 0 DCAERN CC(=O)N[C@H](C(=O)N1CCC(CCO)(CCO)CC1)C(C)C ZINC000634113255 417515354 /nfs/dbraw/zinc/51/53/54/417515354.db2.gz FQYNFZPBONEOSQ-AWEZNQCLSA-N 0 0 314.426 0.521 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F ZINC000622894398 417515994 /nfs/dbraw/zinc/51/59/94/417515994.db2.gz BMKZGALWJQUUSQ-JOYOIKCWSA-N 0 0 323.315 0.523 10 0 DCAERN CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2COCCN2C)c1 ZINC000627864196 417517459 /nfs/dbraw/zinc/51/74/59/417517459.db2.gz KLXHMNVDYYQEQO-CQSZACIVSA-N 0 0 319.361 0.275 10 0 DCAERN CO[C@@H]1CN(C(=O)c2ccc(CO)c(F)c2)C[C@H]1c1cn[nH]n1 ZINC000623032008 417528511 /nfs/dbraw/zinc/52/85/11/417528511.db2.gz DCKVAHZPXPJNPU-SMDDNHRTSA-N 0 0 320.324 0.691 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](CC)C(F)F ZINC000454874639 417584139 /nfs/dbraw/zinc/58/41/39/417584139.db2.gz LINCZALLIYVTNX-CIUDSAMLSA-N 0 0 323.340 0.786 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CC2(C1)CCOC2 ZINC000576188197 417588064 /nfs/dbraw/zinc/58/80/64/417588064.db2.gz UFUZGHVLKULYCM-UHFFFAOYSA-N 0 0 316.404 0.566 10 0 DCAERN C(C1CC1)n1c([C@H]2COCCO2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC000635153899 417591666 /nfs/dbraw/zinc/59/16/66/417591666.db2.gz JGYICSKHUXNWPY-HZSPNIEDSA-N 0 0 320.393 0.859 10 0 DCAERN C[C@H]1CN(C(=O)c2cn3cccnc3n2)C[C@@]2(CCOC2)O1 ZINC000530314212 417566957 /nfs/dbraw/zinc/56/69/57/417566957.db2.gz REXVCMVVOCUPIQ-XHDPSFHLSA-N 0 0 302.334 0.749 10 0 DCAERN C[C@@H](NC(=O)CN1CCCC[C@@H](O)C1=O)c1cncc(F)c1 ZINC000644419230 417572201 /nfs/dbraw/zinc/57/22/01/417572201.db2.gz WJMRKZOFGGGCJX-ZWNOBZJWSA-N 0 0 309.341 0.771 10 0 DCAERN CCC[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)NCC)C1)OC ZINC000454673480 417575732 /nfs/dbraw/zinc/57/57/32/417575732.db2.gz JGUTUCOWUZDRAJ-NEPJUHHUSA-N 0 0 300.403 0.905 10 0 DCAERN C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000440037849 287392316 /nfs/dbraw/zinc/39/23/16/287392316.db2.gz QHXASLNVFQHSGK-GXFFZTMASA-N 0 0 317.345 0.344 10 0 DCAERN CS(=O)(=O)N1CCC(NC(=O)N2CCC23CCC3)CC1 ZINC000531441618 417622828 /nfs/dbraw/zinc/62/28/28/417622828.db2.gz KWMCQWASBSTKDJ-UHFFFAOYSA-N 0 0 301.412 0.748 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1cccc2c1OCCC2)C(=O)N(C)C ZINC000531867395 417647132 /nfs/dbraw/zinc/64/71/32/417647132.db2.gz BAKMZNGYEJNHJS-SNVBAGLBSA-N 0 0 319.361 0.543 10 0 DCAERN COC(=O)c1cnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)nc1 ZINC000576950048 417650416 /nfs/dbraw/zinc/65/04/16/417650416.db2.gz BONCSUZRBUDHLE-DGCLKSJQSA-N 0 0 306.366 0.420 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)CC(C)(C)OC)C1 ZINC000532117081 417660177 /nfs/dbraw/zinc/66/01/77/417660177.db2.gz PVRQMZLVSGEQJS-LLVKDONJSA-N 0 0 300.403 0.857 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H](C)c2nncn2C)n1 ZINC000440510457 287404233 /nfs/dbraw/zinc/40/42/33/287404233.db2.gz HJPQOSMPRYTESC-JTQLQIEISA-N 0 0 304.354 0.822 10 0 DCAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccncc1Br ZINC000629233911 417764673 /nfs/dbraw/zinc/76/46/73/417764673.db2.gz IHUKQRLSUZGQPQ-ZJUUUORDSA-N 0 0 301.140 0.724 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CC12COC2 ZINC000457376621 417707005 /nfs/dbraw/zinc/70/70/05/417707005.db2.gz AUVTTZJGZTZMJH-RYUDHWBXSA-N 0 0 312.366 0.387 10 0 DCAERN Cn1cc(Br)c(C(=O)NC[C@H]2COCCN2C)n1 ZINC000628915810 417720570 /nfs/dbraw/zinc/72/05/70/417720570.db2.gz ZGPBKMNYCILOQQ-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN Cc1ccc2c(c1)CC[C@@H](C(=O)NC[C@@H](O)Cn1ccnn1)O2 ZINC000458127055 417722895 /nfs/dbraw/zinc/72/28/95/417722895.db2.gz CTMGKMUMAYPCJE-HIFRSBDPSA-N 0 0 316.361 0.457 10 0 DCAERN O=C(Cc1cccc(Cl)c1F)NC[C@H](O)Cn1ccnn1 ZINC000458127664 417722929 /nfs/dbraw/zinc/72/29/29/417722929.db2.gz CXJHCONMCDTXJU-JTQLQIEISA-N 0 0 312.732 0.790 10 0 DCAERN CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458136215 417723429 /nfs/dbraw/zinc/72/34/29/417723429.db2.gz KVXHAOUKWDEHPD-KGLIPLIRSA-N 0 0 318.377 0.921 10 0 DCAERN CCCOc1cccc(C(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458129154 417723808 /nfs/dbraw/zinc/72/38/08/417723808.db2.gz DVXAHSNDWWVLNH-ZDUSSCGKSA-N 0 0 304.350 0.858 10 0 DCAERN O=C(COCc1cccc(Cl)c1)NC[C@@H](O)Cn1ccnn1 ZINC000458129796 417723833 /nfs/dbraw/zinc/72/38/33/417723833.db2.gz LOQFBAHMKJIHKN-CYBMUJFWSA-N 0 0 324.768 0.625 10 0 DCAERN COc1ncc(Cl)c(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)n1 ZINC000664267898 418106443 /nfs/dbraw/zinc/10/64/43/418106443.db2.gz FYCSDXUFWNTVJV-SFYZADRCSA-N 0 0 307.759 0.363 10 0 DCAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000664267635 418107065 /nfs/dbraw/zinc/10/70/65/418107065.db2.gz LRHBXRDQXZDUKU-BQBZGAKWSA-N 0 0 311.285 0.719 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@H]1CCCO1 ZINC000177825621 545892357 /nfs/dbraw/zinc/89/23/57/545892357.db2.gz JIBVOTHIYJSOKO-GXFFZTMASA-N 0 0 306.366 0.915 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2[nH]cnc2C)CC12COC2 ZINC000452610083 287482327 /nfs/dbraw/zinc/48/23/27/287482327.db2.gz DFLIRJMPAPJJCY-LLVKDONJSA-N 0 0 307.350 0.299 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](O)C2)CC12COC2 ZINC000452612583 287482339 /nfs/dbraw/zinc/48/23/39/287482339.db2.gz LANXUGOWYTWYET-UPJWGTAASA-N 0 0 311.378 0.576 10 0 DCAERN O=C(NCCOCC1CCCC1)NC[C@H](O)Cn1ccnn1 ZINC000459142283 287502033 /nfs/dbraw/zinc/50/20/33/287502033.db2.gz ORUOLPCIOMZNPG-ZDUSSCGKSA-N 0 0 311.386 0.145 10 0 DCAERN CO[C@@H](C)[C@H](C)NC(=O)COCC(=O)N[C@@H](C)[C@H](C)OC ZINC000468270618 287515989 /nfs/dbraw/zinc/51/59/89/287515989.db2.gz OGBXTCOIQPGXMA-BJDJZHNGSA-N 0 0 304.387 0.082 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000460077825 287513377 /nfs/dbraw/zinc/51/33/77/287513377.db2.gz QRRJTCHTYAVNRX-DYVFJYSZSA-N 0 0 321.421 0.764 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)NCC1CC1 ZINC000478798322 287522871 /nfs/dbraw/zinc/52/28/71/287522871.db2.gz MWOJMRROLUAEDI-LLVKDONJSA-N 0 0 303.362 0.447 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccnc1OC ZINC000488287731 287548511 /nfs/dbraw/zinc/54/85/11/287548511.db2.gz QVRSKBOLVOSZEB-ZJUUUORDSA-N 0 0 323.349 0.276 10 0 DCAERN C[C@@H]1COCC[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000302024081 230043312 /nfs/dbraw/zinc/04/33/12/230043312.db2.gz KSVHLJWUFVTTBH-VXNVDRBHSA-N 0 0 304.393 0.550 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)NCC1CCC(O)CC1 ZINC000230836349 545947781 /nfs/dbraw/zinc/94/77/81/545947781.db2.gz VOELQTWERLAIDL-UHFFFAOYSA-N 0 0 307.803 0.903 10 0 DCAERN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000179248307 261111552 /nfs/dbraw/zinc/11/15/52/261111552.db2.gz XXCYTQZHAKXOHT-WDEREUQCSA-N 0 0 314.411 0.786 10 0 DCAERN CCCN(C(=O)N[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000180545828 261113966 /nfs/dbraw/zinc/11/39/66/261113966.db2.gz JHASKVZKFXQWBZ-VXGBXAGGSA-N 0 0 304.412 0.774 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCC(=O)NCC1CC1 ZINC000183496160 261116696 /nfs/dbraw/zinc/11/66/96/261116696.db2.gz NJARQQLVJAOSCF-LBPRGKRZSA-N 0 0 312.414 0.507 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(CCO)[C@@H](C)C2)cc1 ZINC000187266875 261122567 /nfs/dbraw/zinc/12/25/67/261122567.db2.gz LUFOZKAEPITEDL-LBPRGKRZSA-N 0 0 306.362 0.612 10 0 DCAERN O=C(N[C@@H](CO)Cc1ccccc1)c1cc2c(cn1)nc[nH]c2=O ZINC000187185737 261123023 /nfs/dbraw/zinc/12/30/23/261123023.db2.gz VFNDKQNWLMFUNE-GFCCVEGCSA-N 0 0 324.340 0.652 10 0 DCAERN CO[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[C@H]1C ZINC000187659516 261123491 /nfs/dbraw/zinc/12/34/91/261123491.db2.gz ZJOPCNOGWUNWHG-GRYCIOLGSA-N 0 0 304.412 0.630 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[C@H]1C ZINC000188066865 261125775 /nfs/dbraw/zinc/12/57/75/261125775.db2.gz PQQZHAIBZXYFJJ-UTUOFQBUSA-N 0 0 320.455 0.834 10 0 DCAERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC000188648579 261129583 /nfs/dbraw/zinc/12/95/83/261129583.db2.gz MPVVSQJFOLFJKY-RKDXNWHRSA-N 0 0 315.333 0.092 10 0 DCAERN COc1cc(N2CCN(CCOCC(F)F)CC2)ncn1 ZINC000189977220 261133914 /nfs/dbraw/zinc/13/39/14/261133914.db2.gz CHYGIVFVJPABGB-UHFFFAOYSA-N 0 0 302.325 0.889 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000192939736 261139682 /nfs/dbraw/zinc/13/96/82/261139682.db2.gz OOPHWQVWIUKITC-UHFFFAOYSA-N 0 0 301.368 0.263 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)CCC1=O ZINC000193001274 261140403 /nfs/dbraw/zinc/14/04/03/261140403.db2.gz URWCLEDSWHJGRW-LBPRGKRZSA-N 0 0 314.345 0.843 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)NCc1cccnc1N(C)C ZINC000193204710 261140566 /nfs/dbraw/zinc/14/05/66/261140566.db2.gz ZAWOYAHYVVCTLE-UHFFFAOYSA-N 0 0 315.377 0.997 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCC(=O)NC(C)C ZINC000193012480 261140885 /nfs/dbraw/zinc/14/08/85/261140885.db2.gz ZVPSZIZTGHUVQH-UHFFFAOYSA-N 0 0 305.378 0.756 10 0 DCAERN Cc1cc(COCC(=O)NCC(C)(C)N2CCOCC2)on1 ZINC000193266430 261141547 /nfs/dbraw/zinc/14/15/47/261141547.db2.gz XJKUWWSUDCVTJF-UHFFFAOYSA-N 0 0 311.382 0.727 10 0 DCAERN Cc1cc(COCC(=O)NCC(=O)Nc2cccnc2)on1 ZINC000193572164 261143229 /nfs/dbraw/zinc/14/32/29/261143229.db2.gz JJZOZRZMLDIIIW-UHFFFAOYSA-N 0 0 304.306 0.650 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)NC(C)(C)C(N)=O)n2)cc1 ZINC000194140536 261144939 /nfs/dbraw/zinc/14/49/39/261144939.db2.gz ONJXFNQTXQMMCX-UHFFFAOYSA-N 0 0 302.338 0.029 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1nc(C(C)(C)C)no1 ZINC000194199141 261144949 /nfs/dbraw/zinc/14/49/49/261144949.db2.gz BWPYRADEULTJFQ-JOYOIKCWSA-N 0 0 308.382 0.941 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCCC[C@H]1CO ZINC000228065482 261152934 /nfs/dbraw/zinc/15/29/34/261152934.db2.gz ZYYVMEUZIXMZNL-WPRPVWTQSA-N 0 0 307.803 0.903 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)COC ZINC000250038164 261166797 /nfs/dbraw/zinc/16/67/97/261166797.db2.gz BXNXSEKGVPYJSG-RYUDHWBXSA-N 0 0 306.428 0.589 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000355268988 261323482 /nfs/dbraw/zinc/32/34/82/261323482.db2.gz BURAQPBXJJPEIR-SNPRPXQTSA-N 0 0 306.337 0.911 10 0 DCAERN NC(=O)C1CCC(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000356094904 261390598 /nfs/dbraw/zinc/39/05/98/261390598.db2.gz QGHKUQCRNCGPDI-YQWPXRDNSA-N 0 0 317.389 0.988 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000356368939 261414862 /nfs/dbraw/zinc/41/48/62/261414862.db2.gz OBKCFCMWADVVMZ-YRGRVCCFSA-N 0 0 308.334 0.161 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCC2CCSCC2)C1 ZINC000356957292 261487694 /nfs/dbraw/zinc/48/76/94/261487694.db2.gz HFUYHEKMWUIEDI-NEPJUHHUSA-N 0 0 300.424 0.930 10 0 DCAERN CC(=O)N1CCN(CC(=O)Nc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000357308104 261527100 /nfs/dbraw/zinc/52/71/00/261527100.db2.gz RXIGOLZUYVQDNP-SNVBAGLBSA-N 0 0 307.398 0.528 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OC)cn1 ZINC000360469365 261834826 /nfs/dbraw/zinc/83/48/26/261834826.db2.gz OVDPOMPHDMTOOQ-UWVGGRQHSA-N 0 0 323.349 0.276 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CCO1 ZINC000360489406 261837651 /nfs/dbraw/zinc/83/76/51/261837651.db2.gz GUBINOAREGVKKQ-LBPRGKRZSA-N 0 0 318.333 0.646 10 0 DCAERN COCC[C@H](NC(=O)C(=O)N1CC[C@@H](CO)[C@H]1C)c1ccco1 ZINC000360739932 261868256 /nfs/dbraw/zinc/86/82/56/261868256.db2.gz RPHAIDLOUAVHHC-AGIUHOORSA-N 0 0 324.377 0.703 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)NCC(=O)NCC(F)F)[nH]n1 ZINC000361540733 261936809 /nfs/dbraw/zinc/93/68/09/261936809.db2.gz JWZSAODWJNNSDY-ZETCQYMHSA-N 0 0 303.313 0.330 10 0 DCAERN CCNC(=O)CNC(=O)C(=O)Nc1cnc([C@@H](C)CC)nc1 ZINC000361685068 261949999 /nfs/dbraw/zinc/94/99/99/261949999.db2.gz BYYAHVGDEBCVMX-VIFPVBQESA-N 0 0 307.354 0.181 10 0 DCAERN CCOC(=O)CN(C(=O)[C@H]1CCc2nnn(C)c2C1)C1CCC1 ZINC000362167683 262006460 /nfs/dbraw/zinc/00/64/60/262006460.db2.gz NVUYTGVSGFAZLN-NSHDSACASA-N 0 0 320.393 0.864 10 0 DCAERN COC[C@](C)(NC(=O)c1cn(C)c(=O)[nH]c1=O)C(F)(F)F ZINC000362198858 262008512 /nfs/dbraw/zinc/00/85/12/262008512.db2.gz BESMHRUOEHFWIY-JTQLQIEISA-N 0 0 309.244 0.183 10 0 DCAERN COC(=O)c1cc(C(C)(C)NC(=O)[C@@H](C)S(C)(=O)=O)no1 ZINC000362319304 262021987 /nfs/dbraw/zinc/02/19/87/262021987.db2.gz YQOWGKFZGMGKIJ-SSDOTTSWSA-N 0 0 318.351 0.246 10 0 DCAERN COC[C@](C)(NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)OC ZINC000362615254 262052742 /nfs/dbraw/zinc/05/27/42/262052742.db2.gz SBGSKUBWMKGWSU-BZNIZROVSA-N 0 0 322.361 0.499 10 0 DCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000362661466 262057011 /nfs/dbraw/zinc/05/70/11/262057011.db2.gz FDWYIQQBGIBOAG-HJWVJXLVSA-N 0 0 314.329 0.606 10 0 DCAERN CO[C@H]1CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C[C@@H]1OC ZINC000362789209 262073051 /nfs/dbraw/zinc/07/30/51/262073051.db2.gz HSXFZAYZZOOBSC-KBPBESRZSA-N 0 0 320.349 0.714 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)c3cccc(CO)c3)CC2)[nH]1 ZINC000362815447 262075356 /nfs/dbraw/zinc/07/53/56/262075356.db2.gz VHALRZQZSTUMKT-UHFFFAOYSA-N 0 0 315.377 0.563 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000363419568 262115282 /nfs/dbraw/zinc/11/52/82/262115282.db2.gz WKIFOLBLBCUINV-GFCCVEGCSA-N 0 0 322.390 0.316 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1c(Cl)cnn1C ZINC000392978476 262160862 /nfs/dbraw/zinc/16/08/62/262160862.db2.gz YVVIGPHRMAXTIK-SVRRBLITSA-N 0 0 306.775 0.019 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000425077702 262519410 /nfs/dbraw/zinc/51/94/10/262519410.db2.gz UXIMOOWQJYNDFE-ZDUSSCGKSA-N 0 0 317.345 0.547 10 0 DCAERN CC(=O)N1CCC(CNC(=O)Nc2nccc(N(C)C)n2)CC1 ZINC000432425725 262644346 /nfs/dbraw/zinc/64/43/46/262644346.db2.gz WXYPPEZMENRZMO-UHFFFAOYSA-N 0 0 320.397 0.923 10 0 DCAERN COc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)n1 ZINC000357056430 271039671 /nfs/dbraw/zinc/03/96/71/271039671.db2.gz OAQRVMDYTCKLRY-JQWIXIFHSA-N 0 0 307.350 0.390 10 0 DCAERN CC(C)Cn1ncc2cc(C(=O)NCc3nnnn3C)cnc21 ZINC000357109016 271043137 /nfs/dbraw/zinc/04/31/37/271043137.db2.gz VAQBKVULXVXODD-UHFFFAOYSA-N 0 0 314.353 0.541 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N(C)Cc2noc(C)n2)c1 ZINC000358493776 271052705 /nfs/dbraw/zinc/05/27/05/271052705.db2.gz HIVURTXCXREDOT-UHFFFAOYSA-N 0 0 315.307 0.578 10 0 DCAERN CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)[C@@H](C)CO ZINC000358751987 271068033 /nfs/dbraw/zinc/06/80/33/271068033.db2.gz CFZVBEDSJTWOID-JTQLQIEISA-N 0 0 300.380 0.438 10 0 DCAERN O=C(CNC(=O)NC[C@H](CO)C1CC1)N1CCc2ccccc21 ZINC000358791914 271073618 /nfs/dbraw/zinc/07/36/18/271073618.db2.gz MQCCNGRASCKJMN-CQSZACIVSA-N 0 0 317.389 0.893 10 0 DCAERN CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1C ZINC000358885758 271078880 /nfs/dbraw/zinc/07/88/80/271078880.db2.gz JTRBGHAXZFBVNC-CYBMUJFWSA-N 0 0 319.354 0.727 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)NC[C@@H](C)SC)n1 ZINC000359236152 271108719 /nfs/dbraw/zinc/10/87/19/271108719.db2.gz MCDHHPGNDNCYEW-SNVBAGLBSA-N 0 0 311.407 0.617 10 0 DCAERN Cc1nc(CN(C)CC(=O)NCC(=O)c2cccs2)no1 ZINC000359530566 271122849 /nfs/dbraw/zinc/12/28/49/271122849.db2.gz CXRJTWDSHRTVNG-UHFFFAOYSA-N 0 0 308.363 0.870 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000359955800 271150872 /nfs/dbraw/zinc/15/08/72/271150872.db2.gz IQQLDVHLVRNMCQ-STQMWFEESA-N 0 0 324.406 0.922 10 0 DCAERN C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC23CCC3)CCCO1 ZINC000360920190 271164679 /nfs/dbraw/zinc/16/46/79/271164679.db2.gz YPXRFNVJYCBZBV-CQSZACIVSA-N 0 0 323.437 0.759 10 0 DCAERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H]1CCCNC1=O ZINC000363454259 271191088 /nfs/dbraw/zinc/19/10/88/271191088.db2.gz LDEJGJUHSWXCME-JSGCOSHPSA-N 0 0 301.346 0.359 10 0 DCAERN O=C(c1ccnn1CC(F)F)N1CCN2CCOC[C@@H]2C1 ZINC000363765329 271204248 /nfs/dbraw/zinc/20/42/48/271204248.db2.gz KOALLWFNXSLYRP-JTQLQIEISA-N 0 0 300.309 0.305 10 0 DCAERN CNC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000398513241 271218567 /nfs/dbraw/zinc/21/85/67/271218567.db2.gz QWKQJEOOFPBRDG-JTQLQIEISA-N 0 0 300.355 0.891 10 0 DCAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1 ZINC000442289818 271667889 /nfs/dbraw/zinc/66/78/89/271667889.db2.gz GVZCGQMNLCKRQN-CYBMUJFWSA-N 0 0 319.361 0.033 10 0 DCAERN CCOC(=O)[C@H]1CN(CC(=O)c2cccn2C)CC12COC2 ZINC000451128469 271890122 /nfs/dbraw/zinc/89/01/22/271890122.db2.gz BLVZIWCDUGZTAE-GFCCVEGCSA-N 0 0 306.362 0.719 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)CC12COC2 ZINC000452265775 271913439 /nfs/dbraw/zinc/91/34/39/271913439.db2.gz RAOCFRKQBIGQJC-SWLSCSKDSA-N 0 0 311.378 0.841 10 0 DCAERN C=Cc1ccc(CCNC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000458818796 271975377 /nfs/dbraw/zinc/97/53/77/271975377.db2.gz RSSRLDOSCNXMRY-HNNXBMFYSA-N 0 0 315.377 0.824 10 0 DCAERN CCCN(CCC)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459835316 272014547 /nfs/dbraw/zinc/01/45/47/272014547.db2.gz PGHMQNBLVAOYEO-INIZCTEOSA-N 0 0 309.410 0.764 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C)C1 ZINC000459840982 272015802 /nfs/dbraw/zinc/01/58/02/272015802.db2.gz YLNFWGQTYQEUGV-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)COCC(=O)N[C@H](C)[C@H](C)OC ZINC000461274632 272026275 /nfs/dbraw/zinc/02/62/75/272026275.db2.gz OGBXTCOIQPGXMA-KKOKHZNYSA-N 0 0 304.387 0.082 10 0 DCAERN COc1cc(C(=O)N[C@H]2CC[C@H](OC)C2)ccc1OCC(N)=O ZINC000471668100 272028629 /nfs/dbraw/zinc/02/86/29/272028629.db2.gz INASFMOLZNJJSE-RYUDHWBXSA-N 0 0 322.361 0.857 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cncc(F)c1 ZINC000487111278 272037800 /nfs/dbraw/zinc/03/78/00/272037800.db2.gz CDHSJAHVHQXWLL-DTWKUNHWSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccncc1C ZINC000488579336 272046415 /nfs/dbraw/zinc/04/64/15/272046415.db2.gz IHOGYZKUDHHLGM-GHMZBOCLSA-N 0 0 322.365 0.390 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)CCO ZINC000493605620 272199035 /nfs/dbraw/zinc/19/90/35/272199035.db2.gz NKIZVAGTGLLSME-SNVBAGLBSA-N 0 0 307.350 0.495 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CC(=O)Nc2cc(C)no2)CC1 ZINC000494384387 272220481 /nfs/dbraw/zinc/22/04/81/272220481.db2.gz HQCXCGPZUTUUAW-UHFFFAOYSA-N 0 0 324.381 0.491 10 0 DCAERN COC(=O)C(C)(C)N1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000494457707 272222828 /nfs/dbraw/zinc/22/28/28/272222828.db2.gz SCLGHDLWVLFHAT-UHFFFAOYSA-N 0 0 310.350 0.415 10 0 DCAERN CC1(C)CN(C(=O)CN2CCCNC2=O)C[C@]2(CCOC2)O1 ZINC000527027265 272598924 /nfs/dbraw/zinc/59/89/24/272598924.db2.gz FSZSYUKGZPJGOP-HNNXBMFYSA-N 0 0 311.382 0.198 10 0 DCAERN CC1(C)CN(C(=O)c2ccc3nnnn3c2)C[C@]2(CCOC2)O1 ZINC000527275691 272609193 /nfs/dbraw/zinc/60/91/93/272609193.db2.gz ILJQAGHLKMMCFB-HNNXBMFYSA-N 0 0 317.349 0.534 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530073527 272724500 /nfs/dbraw/zinc/72/45/00/272724500.db2.gz RIDHMBMCHCUYCF-IDGQHGNYSA-N 0 0 312.435 0.899 10 0 DCAERN Cn1c2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)O4)c2oc1=O ZINC000520614697 287685962 /nfs/dbraw/zinc/68/59/62/287685962.db2.gz FQROSYHSUADKDB-AOOOYVTPSA-N 0 0 304.302 0.371 10 0 DCAERN Cn1nncc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 ZINC000538517940 287879570 /nfs/dbraw/zinc/87/95/70/287879570.db2.gz DDDFFFPFERMVAD-GFCCVEGCSA-N 0 0 317.374 0.969 10 0 DCAERN CN1CCN(C[C@H](O)COC[C@@H]2CCCO2)c2cccnc21 ZINC000540865143 287906343 /nfs/dbraw/zinc/90/63/43/287906343.db2.gz CGZKZZFDEOSHOX-KBPBESRZSA-N 0 0 307.394 0.894 10 0 DCAERN CN1CCO[C@H](C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)C1 ZINC000408064377 277127002 /nfs/dbraw/zinc/12/70/02/277127002.db2.gz UKFPOUHPADUFKV-KKUMJFAQSA-N 0 0 308.353 0.791 10 0 DCAERN CN1C[C@@H](NC(=O)Nc2nc3c(s2)COCC3)CCC1=O ZINC000172498389 277193261 /nfs/dbraw/zinc/19/32/61/277193261.db2.gz MZEDOQGGJODOHR-QMMMGPOBSA-N 0 0 310.379 0.958 10 0 DCAERN O=C(c1c[nH]nc1-c1ccncc1)N1CCN2CCOC[C@H]2C1 ZINC000543605941 287960823 /nfs/dbraw/zinc/96/08/23/287960823.db2.gz ZTSFRPXXTMIGBS-CYBMUJFWSA-N 0 0 313.361 0.628 10 0 DCAERN O=C(Cc1ccc2c(c1)COC2)N1CCN2CCOC[C@@H]2C1 ZINC000544588103 287978644 /nfs/dbraw/zinc/97/86/44/287978644.db2.gz FMOPXKYFAZNONW-INIZCTEOSA-N 0 0 302.374 0.802 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CCN2C(=O)CCC2=O)C[C@]12CCCO2 ZINC000329341785 277827117 /nfs/dbraw/zinc/82/71/17/277827117.db2.gz SGQCWPFEAMMOEK-JKSUJKDBSA-N 0 0 308.378 0.942 10 0 DCAERN C[C@]1(CNC(=O)N2CC[C@@H](NC(N)=O)C2)CCO[C@H]1C1CC1 ZINC000545243352 287990477 /nfs/dbraw/zinc/99/04/77/287990477.db2.gz RHYHSYBIFUYBJH-TYNCELHUSA-N 0 0 310.398 0.644 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC(=O)N1C ZINC000367114074 288000579 /nfs/dbraw/zinc/00/05/79/288000579.db2.gz PTNGWZFYUJFCBS-HRDYMLBCSA-N 0 0 321.299 0.133 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)C1 ZINC000368464460 277980693 /nfs/dbraw/zinc/98/06/93/277980693.db2.gz FEGANKHWPIAAEH-CQSZACIVSA-N 0 0 320.393 0.415 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)CCS1(=O)=O ZINC000265700241 288004600 /nfs/dbraw/zinc/00/46/00/288004600.db2.gz QIMQFVZEUPREGG-ZWNOBZJWSA-N 0 0 311.359 0.472 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@H](C(C)(C)C)C2)C1 ZINC000408058034 278031550 /nfs/dbraw/zinc/03/15/50/278031550.db2.gz DXHREJNBDRLJSR-XJKSGUPXSA-N 0 0 312.410 0.633 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)C1(O)CCOCC1)C2 ZINC000408314237 278073918 /nfs/dbraw/zinc/07/39/18/278073918.db2.gz RWLLOAQONPXHTL-UHFFFAOYSA-N 0 0 307.394 0.970 10 0 DCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408176712 278137026 /nfs/dbraw/zinc/13/70/26/278137026.db2.gz GIVKLJCXMKJNNZ-XJKSGUPXSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1csc([C@H](C)NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000546141898 288016331 /nfs/dbraw/zinc/01/63/31/288016331.db2.gz DJWYRTBMUBPEMX-DTWKUNHWSA-N 0 0 323.378 0.458 10 0 DCAERN CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cnnn2C)C1 ZINC000408057960 278149589 /nfs/dbraw/zinc/14/95/89/278149589.db2.gz CJOZCCRBBNBGBP-PSASIEDQSA-N 0 0 319.287 0.487 10 0 DCAERN CCOC(=O)CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCC1 ZINC000546632307 288023197 /nfs/dbraw/zinc/02/31/97/288023197.db2.gz GWPSYKHODBEMHX-NSHDSACASA-N 0 0 308.378 0.942 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000547438939 288045806 /nfs/dbraw/zinc/04/58/06/288045806.db2.gz WTABSHOMTPQKFQ-PWSUYJOCSA-N 0 0 316.427 0.251 10 0 DCAERN CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408064239 278475296 /nfs/dbraw/zinc/47/52/96/278475296.db2.gz UGJKABSOESCJFF-CQSZACIVSA-N 0 0 316.423 0.328 10 0 DCAERN O=S(=O)(NCc1cccc(N2CCOCC2)n1)NC1CC1 ZINC000547500422 288053310 /nfs/dbraw/zinc/05/33/10/288053310.db2.gz ZOWSNXCOCKJILT-UHFFFAOYSA-N 0 0 312.395 0.005 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000547734164 288073905 /nfs/dbraw/zinc/07/39/05/288073905.db2.gz PAHMFJJMSWEFBH-ZDUSSCGKSA-N 0 0 317.345 0.997 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000408457755 279012675 /nfs/dbraw/zinc/01/26/75/279012675.db2.gz CGVBOOJRPZIMOQ-YNEHKIRRSA-N 0 0 318.439 0.730 10 0 DCAERN CCN(CC(N)=O)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000191815029 279064520 /nfs/dbraw/zinc/06/45/20/279064520.db2.gz WWOMNNQZNVDSOW-UHFFFAOYSA-N 0 0 318.782 0.448 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000548064680 288108451 /nfs/dbraw/zinc/10/84/51/288108451.db2.gz ZMCBJSGBYHHZCQ-INIZCTEOSA-N 0 0 320.389 0.771 10 0 DCAERN Cn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c([C@H]2CCOC2)n1 ZINC000548341835 288133673 /nfs/dbraw/zinc/13/36/73/288133673.db2.gz PLTYNPUPRKBZMM-QWRGUYRKSA-N 0 0 318.377 0.417 10 0 DCAERN Cc1ccccc1O[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC000548717431 288170351 /nfs/dbraw/zinc/17/03/51/288170351.db2.gz RUFHQMPPWSRCKA-ZDUSSCGKSA-N 0 0 306.362 0.737 10 0 DCAERN Cn1cc(OCC(=O)N2CCN(c3cccc(O)c3)CC2)cn1 ZINC000548853054 288181869 /nfs/dbraw/zinc/18/18/69/288181869.db2.gz SFNBUTFBMYVBIJ-UHFFFAOYSA-N 0 0 316.361 0.853 10 0 DCAERN Cc1nc(CN(C)S(=O)(=O)c2cccc3c2OCO3)no1 ZINC000548866632 288182990 /nfs/dbraw/zinc/18/29/90/288182990.db2.gz QDYSQWIVHAZBIK-UHFFFAOYSA-N 0 0 311.319 0.927 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000120744567 280017701 /nfs/dbraw/zinc/01/77/01/280017701.db2.gz PEDGAJDLCMFDMK-LBPRGKRZSA-N 0 0 314.411 0.122 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000551885385 288240495 /nfs/dbraw/zinc/24/04/95/288240495.db2.gz SIDILOFRRMFPAD-QWHCGFSZSA-N 0 0 320.393 0.984 10 0 DCAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1 ZINC000408205789 280524293 /nfs/dbraw/zinc/52/42/93/280524293.db2.gz ROGAAHDWVRNNCK-IJLUTSLNSA-N 0 0 309.410 0.807 10 0 DCAERN CC(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)cc1 ZINC000179688117 280611571 /nfs/dbraw/zinc/61/15/71/280611571.db2.gz KWKJSNZIIJDWRY-CYBMUJFWSA-N 0 0 312.391 0.685 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000552525550 288276812 /nfs/dbraw/zinc/27/68/12/288276812.db2.gz SLAAGYKPFZFVNW-UHFFFAOYSA-N 0 0 308.386 0.868 10 0 DCAERN COC[C@H](NC(=O)C(=O)N1CCC[C@@]1(C)CO)c1ccccc1 ZINC000552887221 288281717 /nfs/dbraw/zinc/28/17/17/288281717.db2.gz LBNOQYPMKILIGU-YOEHRIQHSA-N 0 0 320.389 0.864 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCO[C@]3(CCCOC3)C2)C1 ZINC000553020356 288284692 /nfs/dbraw/zinc/28/46/92/288284692.db2.gz VRSSHPWNUDGIOF-HZPDHXFCSA-N 0 0 310.394 0.653 10 0 DCAERN CC1(C)CCC[C@@H]1CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O ZINC000333530445 281023263 /nfs/dbraw/zinc/02/32/63/281023263.db2.gz MDKKSYXXVKTMFO-GHMZBOCLSA-N 0 0 314.407 0.874 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N[C@@H]2CSC[C@@H]2C)C1 ZINC000553968117 288311305 /nfs/dbraw/zinc/31/13/05/288311305.db2.gz HKMZUPVESGXMJD-GARJFASQSA-N 0 0 300.428 0.841 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)[nH]n1 ZINC000554343750 288318572 /nfs/dbraw/zinc/31/85/72/288318572.db2.gz OFLPJDVBUHBYCE-UHTWSYAYSA-N 0 0 322.409 0.385 10 0 DCAERN CC1(C)NC(=O)N(CCN2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000407951469 281393557 /nfs/dbraw/zinc/39/35/57/281393557.db2.gz ZIWJAKKVQLKYBR-LBPRGKRZSA-N 0 0 323.315 0.706 10 0 DCAERN CC(=O)N1CCC[C@@H](CNC(=O)N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC000554521528 288325486 /nfs/dbraw/zinc/32/54/86/288325486.db2.gz DOTNAEHRPUOOMA-AAEUAGOBSA-N 0 0 310.398 0.117 10 0 DCAERN C[C@@H](NC(=O)COc1cnn(C)c1)C(=O)N1CCCC[C@@H]1C ZINC000554567949 288329537 /nfs/dbraw/zinc/32/95/37/288329537.db2.gz HKTFGURUWKBJQW-NWDGAFQWSA-N 0 0 308.382 0.705 10 0 DCAERN C[C@@H]1OCC[C@]12CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC000554579568 288330714 /nfs/dbraw/zinc/33/07/14/288330714.db2.gz UCMRQZPDWZWVRY-XUJVJEKNSA-N 0 0 309.366 0.594 10 0 DCAERN CCc1nnc(N2CCN(Cc3nc(C)no3)CC2)n1CC ZINC000555007215 288342654 /nfs/dbraw/zinc/34/26/54/288342654.db2.gz XQHIYNPNUXGOPK-UHFFFAOYSA-N 0 0 305.386 0.874 10 0 DCAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248815 281864423 /nfs/dbraw/zinc/86/44/23/281864423.db2.gz XETQWOFZAKYJQD-DYVFJYSZSA-N 0 0 321.421 0.906 10 0 DCAERN CC(=O)N1CCCN(C(=O)C(=O)NCc2cccc(C)n2)CC1 ZINC000556189093 288371485 /nfs/dbraw/zinc/37/14/85/288371485.db2.gz BUCZCVPACPGMHC-UHFFFAOYSA-N 0 0 318.377 0.087 10 0 DCAERN CC(C)CN1C[C@@H](C(=O)N2CCSC[C@H]2CCO)CC1=O ZINC000556828865 288397935 /nfs/dbraw/zinc/39/79/35/288397935.db2.gz RUUAGARLTBZISW-QWHCGFSZSA-N 0 0 314.451 0.817 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCc2nncn2C1 ZINC000329101085 289047264 /nfs/dbraw/zinc/04/72/64/289047264.db2.gz DWTQTIARIAKPEC-HZSPNIEDSA-N 0 0 319.409 0.162 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000408418562 289230478 /nfs/dbraw/zinc/23/04/78/289230478.db2.gz ZJRDNTUSHYPAAT-ZDUSSCGKSA-N 0 0 306.428 0.325 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000408184529 289230848 /nfs/dbraw/zinc/23/08/48/289230848.db2.gz BXTKTAXOLJCPSE-WCQGTBRESA-N 0 0 304.412 0.198 10 0 DCAERN CN1C(=O)CO[C@H](C(=O)N2CC[C@H](O)C2)[C@@H]1c1ccccc1 ZINC000365199697 289815805 /nfs/dbraw/zinc/81/58/05/289815805.db2.gz UMARJTGQIPZUPX-QEJZJMRPSA-N 0 0 304.346 0.178 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000286207305 289851466 /nfs/dbraw/zinc/85/14/66/289851466.db2.gz JLDVRCOTPKCRHU-NEPJUHHUSA-N 0 0 317.345 0.696 10 0 DCAERN CN1C[C@H](NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)CCC1=O ZINC000408254039 290305927 /nfs/dbraw/zinc/30/59/27/290305927.db2.gz BLUZFFDNOJIGIP-UTUOFQBUSA-N 0 0 310.398 0.341 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3C[C@H](F)C[C@H]3CO)no2)c1 ZINC000366684649 293004233 /nfs/dbraw/zinc/00/42/33/293004233.db2.gz SXQDCJLMNQZXEP-MNOVXSKESA-N 0 0 308.313 0.773 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)N(C)CC(C)C)CC(C)(C)O1 ZINC000408025722 293235418 /nfs/dbraw/zinc/23/54/18/293235418.db2.gz DHAMNRMZMGZFOV-GFCCVEGCSA-N 0 0 308.444 0.945 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284704469 293700585 /nfs/dbraw/zinc/70/05/85/293700585.db2.gz ZGIBYQDHRJMILY-QWHCGFSZSA-N 0 0 320.393 0.151 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000285649512 293805389 /nfs/dbraw/zinc/80/53/89/293805389.db2.gz UMKLSJYXQIMWQV-PRHODGIISA-N 0 0 315.377 0.848 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000133633275 297051418 /nfs/dbraw/zinc/05/14/18/297051418.db2.gz QMEROECNRDXBGS-TXEJJXNPSA-N 0 0 304.412 0.595 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000408106945 294035272 /nfs/dbraw/zinc/03/52/72/294035272.db2.gz MFPBXQVMWXGIMM-IEECTRCBSA-N 0 0 320.455 0.990 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000127206652 294043291 /nfs/dbraw/zinc/04/32/91/294043291.db2.gz MPIJQWQPGLJFCL-NXEZZACHSA-N 0 0 318.377 1.000 10 0 DCAERN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000408197677 294044671 /nfs/dbraw/zinc/04/46/71/294044671.db2.gz LWEIROQUDZPFMH-VIFPVBQESA-N 0 0 318.333 0.186 10 0 DCAERN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC34CCC4)cnc21 ZINC000408318937 294144614 /nfs/dbraw/zinc/14/46/14/294144614.db2.gz GIRQRPZGVGHYKN-UHFFFAOYSA-N 0 0 300.318 0.803 10 0 DCAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3ncnn3C2)cn1 ZINC000172604781 294297305 /nfs/dbraw/zinc/29/73/05/294297305.db2.gz UILUBACXDWWMMB-QWHCGFSZSA-N 0 0 315.381 0.873 10 0 DCAERN CO[C@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)C1 ZINC000408344850 294545256 /nfs/dbraw/zinc/54/52/56/294545256.db2.gz BJNVXVJLPSUPQF-KCQAQPDRSA-N 0 0 320.393 0.577 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000264900479 294550850 /nfs/dbraw/zinc/55/08/50/294550850.db2.gz NCULNELFTSQKET-PWSUYJOCSA-N 0 0 315.381 0.703 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000328691947 295019057 /nfs/dbraw/zinc/01/90/57/295019057.db2.gz CAPFRYVFPUXJLD-QJPTWQEYSA-N 0 0 308.382 0.811 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccoc1Br ZINC000193324293 295120678 /nfs/dbraw/zinc/12/06/78/295120678.db2.gz RKERFLLNBPSGAC-ZETCQYMHSA-N 0 0 303.112 0.368 10 0 DCAERN COc1ccc(O)cc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408028351 295169343 /nfs/dbraw/zinc/16/93/43/295169343.db2.gz DAGZTVOEZWLRLW-HIFRSBDPSA-N 0 0 306.362 0.946 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@]3(CCCOC3)C2)CC1 ZINC000408203568 295473620 /nfs/dbraw/zinc/47/36/20/295473620.db2.gz LNFVVKVZVHGDKF-ZDUSSCGKSA-N 0 0 301.408 0.983 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H]2CS(N)(=O)=O)C1 ZINC000408167089 297223150 /nfs/dbraw/zinc/22/31/50/297223150.db2.gz BVXUAJNFAZJWST-UPJWGTAASA-N 0 0 317.455 0.244 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000329408285 297809019 /nfs/dbraw/zinc/80/90/19/297809019.db2.gz DDXQVZAPUYZASA-RQJABVFESA-N 0 0 318.439 0.289 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCO[C@H]3CCC[C@H]32)C1=O ZINC000106863736 297888039 /nfs/dbraw/zinc/88/80/39/297888039.db2.gz WDRKNYQGSFSMCR-WQGACYEGSA-N 0 0 321.377 0.487 10 0 DCAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)N1C(=O)NC2(CCCC2)C1=O ZINC000364581884 297990461 /nfs/dbraw/zinc/99/04/61/297990461.db2.gz ZMADKRUOMYSGGL-GHMZBOCLSA-N 0 0 309.366 0.487 10 0 DCAERN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408189764 298122132 /nfs/dbraw/zinc/12/21/32/298122132.db2.gz PTVZQTKLMUIBRP-PELKAZGASA-N 0 0 323.315 0.752 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172125803 298550956 /nfs/dbraw/zinc/55/09/56/298550956.db2.gz QSMBICBZGRHAJL-DPORPMIOSA-N 0 0 309.410 0.800 10 0 DCAERN C[C@H]1CN(C(=O)c2cccnc2N2CCOCC2)CC(=O)N1C ZINC000282111135 300202234 /nfs/dbraw/zinc/20/22/34/300202234.db2.gz FQTWNIFLOMPANO-LBPRGKRZSA-N 0 0 318.377 0.221 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N(C)C2(C(N)=O)CCCC2)C[C@H](C)O1 ZINC000408011910 300278908 /nfs/dbraw/zinc/27/89/08/300278908.db2.gz WIQNKBAZAZAKFM-QWRGUYRKSA-N 0 0 319.427 0.070 10 0 DCAERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407959562 302769817 /nfs/dbraw/zinc/76/98/17/302769817.db2.gz VCDSFPSVTVSRNY-JTQLQIEISA-N 0 0 304.394 0.974 10 0 DCAERN Cn1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c(=O)[nH]c1=O ZINC000408305349 302906768 /nfs/dbraw/zinc/90/67/68/302906768.db2.gz JDSBSGVKTAJPDX-LLVKDONJSA-N 0 0 321.255 0.015 10 0 DCAERN Cn1cc([C@H]2[C@@H](C(=O)N3CC[C@@](C)(O)C3)CCC(=O)N2C)cn1 ZINC000408330830 302940864 /nfs/dbraw/zinc/94/08/64/302940864.db2.gz OMJFCIYFAOTWQM-DUVNUKRYSA-N 0 0 320.393 0.313 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCOC[C@]34CCOC4)cc21 ZINC000194427542 303108078 /nfs/dbraw/zinc/10/80/78/303108078.db2.gz PQNXLHHUCGDLFW-OAHLLOKOSA-N 0 0 302.334 0.600 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1 ZINC000332781056 332870913 /nfs/dbraw/zinc/87/09/13/332870913.db2.gz WNEJWDTTYMURLW-WDEREUQCSA-N 0 0 317.411 0.622 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000332817133 332877831 /nfs/dbraw/zinc/87/78/31/332877831.db2.gz LDAKUKNTDDQYRK-BYNQJWBRSA-N 0 0 301.408 0.885 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)NCCc2ccc(F)cc2F)n1 ZINC000584306787 332234334 /nfs/dbraw/zinc/23/43/34/332234334.db2.gz BHWQAEPESIMRMF-UHFFFAOYSA-N 0 0 322.315 0.673 10 0 DCAERN CO[C@H]1CN(C(=O)c2cn(CC3(C)COC3)nn2)CC[C@H]1C ZINC000188130907 333037667 /nfs/dbraw/zinc/03/76/67/333037667.db2.gz PRUVZZRNLCXHPH-YPMHNXCESA-N 0 0 308.382 0.812 10 0 DCAERN CS(=O)(=O)NCCNC(=O)c1csc(C(F)(F)F)n1 ZINC000189343577 333075471 /nfs/dbraw/zinc/07/54/71/333075471.db2.gz ZWFYLXLAVCNYMT-UHFFFAOYSA-N 0 0 317.314 0.441 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccn(C)n2)C[C@@]2(CCCOC2)O1 ZINC000570993951 333477537 /nfs/dbraw/zinc/47/75/37/333477537.db2.gz XZRIDLROJARFCA-SWLSCSKDSA-N 0 0 308.382 0.900 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000190009818 336258507 /nfs/dbraw/zinc/25/85/07/336258507.db2.gz NMRMOIGGUMNHHI-KOLCDFICSA-N 0 0 318.420 0.575 10 0 DCAERN CCN1CN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1=O ZINC000190580122 336264234 /nfs/dbraw/zinc/26/42/34/336264234.db2.gz WWGUUYHJDVPPDT-SECBINFHSA-N 0 0 310.379 0.496 10 0 DCAERN CN(Cc1nnnn1C)c1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000583062690 337234628 /nfs/dbraw/zinc/23/46/28/337234628.db2.gz WZNIZPNLQFXXPC-UHFFFAOYSA-N 0 0 313.247 0.532 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)s1 ZINC000396919403 337242575 /nfs/dbraw/zinc/24/25/75/337242575.db2.gz IOQBFHLSPSALLO-MWLCHTKSSA-N 0 0 305.421 0.674 10 0 DCAERN COC(=O)c1cccc(NC(=O)COC(C)=O)c1C(=O)OC ZINC000584661049 337378291 /nfs/dbraw/zinc/37/82/91/337378291.db2.gz JURICTAHIOIIBZ-UHFFFAOYSA-N 0 0 309.274 0.761 10 0 DCAERN Nc1ncc(-c2ccccc2Cl)nc1C(=O)NC[C@@H](O)CO ZINC000584662035 337378432 /nfs/dbraw/zinc/37/84/32/337378432.db2.gz NQVBEGBTHJTYQX-MRVPVSSYSA-N 0 0 322.752 0.462 10 0 DCAERN CCN1CN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O ZINC000191561708 337681666 /nfs/dbraw/zinc/68/16/66/337681666.db2.gz FGHLWGZTEPMYSR-LBPRGKRZSA-N 0 0 318.377 0.523 10 0 DCAERN CO[C@H](C(=O)N1CC[C@]2(CNC(=O)C2)C1)c1ccc(O)cc1 ZINC000577528351 341915824 /nfs/dbraw/zinc/91/58/24/341915824.db2.gz FLIDKZCDUUYSKK-HOCLYGCPSA-N 0 0 304.346 0.818 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000187129393 534171351 /nfs/dbraw/zinc/17/13/51/534171351.db2.gz PHTUOJBOYSSGGV-CYBMUJFWSA-N 0 0 305.378 0.459 10 0 DCAERN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cc1cnnn1C ZINC000328597107 534299463 /nfs/dbraw/zinc/29/94/63/534299463.db2.gz DNTZRJZHZLMTAY-TXEJJXNPSA-N 0 0 321.425 0.852 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000268867696 518417382 /nfs/dbraw/zinc/41/73/82/518417382.db2.gz SZGPNEJFTRGPJA-ZDUSSCGKSA-N 0 0 310.375 0.653 10 0 DCAERN CC(=O)c1cccc(OC[C@@H](O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189290445 518452882 /nfs/dbraw/zinc/45/28/82/518452882.db2.gz KNFNSIBZHOGUIQ-DOMZBBRYSA-N 0 0 320.389 0.839 10 0 DCAERN CC(C)(C)c1nc(CC(=O)N[C@@H]2CCC(=O)NC2=O)cs1 ZINC000152141750 519094692 /nfs/dbraw/zinc/09/46/92/519094692.db2.gz XXXODBIBFFIFQL-SECBINFHSA-N 0 0 309.391 0.905 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000401797741 534417003 /nfs/dbraw/zinc/41/70/03/534417003.db2.gz JHDYSIGHXYFIHE-BDAKNGLRSA-N 0 0 319.404 0.926 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 ZINC000266608825 519454046 /nfs/dbraw/zinc/45/40/46/519454046.db2.gz AKEPWBKUCLZGHX-UHFFFAOYSA-N 0 0 313.379 0.499 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000408356739 534431859 /nfs/dbraw/zinc/43/18/59/534431859.db2.gz RWZHEHPNGBIJRO-OUAUKWLOSA-N 0 0 306.370 0.456 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000365960379 519558348 /nfs/dbraw/zinc/55/83/48/519558348.db2.gz KCCKTOWITFUFTC-JYJNAYRXSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2ccc(-n3cccn3)cc2)C1 ZINC000189828033 519648475 /nfs/dbraw/zinc/64/84/75/519648475.db2.gz YVSVAEUTYPOSEY-UHFFFAOYSA-N 0 0 313.361 0.902 10 0 DCAERN CC(=O)NCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127203755 519653358 /nfs/dbraw/zinc/65/33/58/519653358.db2.gz IEQIMBSOHWEDTL-DZGCQCFKSA-N 0 0 311.332 0.962 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122345442 519658492 /nfs/dbraw/zinc/65/84/92/519658492.db2.gz XTSLKZJUIDJEDU-UHFFFAOYSA-N 0 0 307.398 0.831 10 0 DCAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCN(C)C1=O)C2 ZINC000163832422 519869151 /nfs/dbraw/zinc/86/91/51/519869151.db2.gz DVALXBHNGAWCIP-NSHDSACASA-N 0 0 319.409 0.842 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC000266800935 520379703 /nfs/dbraw/zinc/37/97/03/520379703.db2.gz BUSAPLNDTMDJST-CHWSQXEVSA-N 0 0 320.393 0.593 10 0 DCAERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cn[nH]c2=O)C1 ZINC000157662805 520658370 /nfs/dbraw/zinc/65/83/70/520658370.db2.gz WLSCFHIQXIXAGQ-VXGBXAGGSA-N 0 0 323.397 0.115 10 0 DCAERN CC1(CNC(=O)Cc2ccc(-n3cnnn3)cc2)OCCCO1 ZINC000191087591 520709858 /nfs/dbraw/zinc/70/98/58/520709858.db2.gz ISSQMTYEEGACIL-UHFFFAOYSA-N 0 0 317.349 0.474 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc2nnn(C)c2c1 ZINC000183973207 521649248 /nfs/dbraw/zinc/64/92/48/521649248.db2.gz HXQDCCWNRSJFBK-SECBINFHSA-N 0 0 310.379 0.521 10 0 DCAERN CCN1CCOC[C@H]1C(=O)NCc1nnc(C2CCC2)n1C ZINC000364948484 521703139 /nfs/dbraw/zinc/70/31/39/521703139.db2.gz YDOZJUAACIOOFB-LBPRGKRZSA-N 0 0 307.398 0.420 10 0 DCAERN CNC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)nn1 ZINC000265977033 521831548 /nfs/dbraw/zinc/83/15/48/521831548.db2.gz DKVQRYOGGUTSEU-UHFFFAOYSA-N 0 0 313.361 0.868 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N2CCN(C3CC3)CC2)s1 ZINC000190423337 522044398 /nfs/dbraw/zinc/04/43/98/522044398.db2.gz NMXVUUGXJZVONB-UHFFFAOYSA-N 0 0 308.407 0.951 10 0 DCAERN CC[C@@H](C)NC(=O)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000187013648 522150210 /nfs/dbraw/zinc/15/02/10/522150210.db2.gz WTANLNBHJXGCIH-SECBINFHSA-N 0 0 317.349 0.353 10 0 DCAERN CN(C)c1cccc(CNC(=O)NCCCN2CCCC2=O)n1 ZINC000162756501 522272095 /nfs/dbraw/zinc/27/20/95/522272095.db2.gz QESYZVRSWNIQGB-UHFFFAOYSA-N 0 0 319.409 0.959 10 0 DCAERN CN(C)c1ncc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cn1 ZINC000154411726 522354147 /nfs/dbraw/zinc/35/41/47/522354147.db2.gz XDPQWOQASDNBCD-QWRGUYRKSA-N 0 0 306.370 0.708 10 0 DCAERN COC(=O)c1coc(S(=O)(=O)N2CCN(C3CC3)CC2)c1 ZINC000152265524 522374214 /nfs/dbraw/zinc/37/42/14/522374214.db2.gz YZOIFNVSTISLEX-UHFFFAOYSA-N 0 0 314.363 0.535 10 0 DCAERN COC[C@@H](O)CCNS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000130356313 522393005 /nfs/dbraw/zinc/39/30/05/522393005.db2.gz CHYSXDYVIVHHES-QMMMGPOBSA-N 0 0 311.791 0.058 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(=O)N(CC)C1 ZINC000189984863 522509872 /nfs/dbraw/zinc/50/98/72/522509872.db2.gz SIONHSSXSPQPRZ-JTQLQIEISA-N 0 0 306.370 0.507 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000129230210 522557282 /nfs/dbraw/zinc/55/72/82/522557282.db2.gz HIWQYSQEHXYBMF-ZDUSSCGKSA-N 0 0 306.410 0.676 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)CC1 ZINC000189478362 522812072 /nfs/dbraw/zinc/81/20/72/522812072.db2.gz GRGRFRRXIZXVPT-LBPRGKRZSA-N 0 0 311.407 0.602 10 0 DCAERN COC[C@](C)(CCO)NC(=O)C(=O)NCCCc1ccccc1 ZINC000182867601 522875512 /nfs/dbraw/zinc/87/55/12/522875512.db2.gz FBZIGUVSHIKJES-KRWDZBQOSA-N 0 0 322.405 0.639 10 0 DCAERN COCc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000116833797 522950456 /nfs/dbraw/zinc/95/04/56/522950456.db2.gz RJCYZYUHNFSZNE-CYBMUJFWSA-N 0 0 312.391 0.597 10 0 DCAERN COCc1cccc(CC(=O)NC[C@@H](O)CN2CCOCC2)c1 ZINC000188175131 523035540 /nfs/dbraw/zinc/03/55/40/523035540.db2.gz VCNPWVXAAROGLW-MRXNPFEDSA-N 0 0 322.405 0.185 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(=O)[nH]c1 ZINC000155289949 523224807 /nfs/dbraw/zinc/22/48/07/523224807.db2.gz VYKMDTSGRDEOCY-SNVBAGLBSA-N 0 0 303.322 0.790 10 0 DCAERN CCn1cc(C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)cn1 ZINC000123619364 523351997 /nfs/dbraw/zinc/35/19/97/523351997.db2.gz DMSQUUKHKVOHCA-UHFFFAOYSA-N 0 0 319.365 0.161 10 0 DCAERN COC(=O)Cn1cc(CCn2cnc3ccccc3c2=O)nn1 ZINC000159156915 523395461 /nfs/dbraw/zinc/39/54/61/523395461.db2.gz LEBUAYCJRARRAX-UHFFFAOYSA-N 0 0 313.317 0.404 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)C[C@]2(CCOC2)O1 ZINC000368609339 523412186 /nfs/dbraw/zinc/41/21/86/523412186.db2.gz XNKBTXGISCSUDB-JXFSHQFZSA-N 0 0 311.378 0.982 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)N[C@H](C)C(=O)N(C)C)CCO2)cn1 ZINC000191112002 523480035 /nfs/dbraw/zinc/48/00/35/523480035.db2.gz POGOWBOJGNCUCL-DGCLKSJQSA-N 0 0 323.397 0.463 10 0 DCAERN COc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000266134630 523673944 /nfs/dbraw/zinc/67/39/44/523673944.db2.gz DRMGOTXKQDKOJC-GXTWGEPZSA-N 0 0 305.378 0.883 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@@H](O)C(C)(C)C ZINC000324477831 523699805 /nfs/dbraw/zinc/69/98/05/523699805.db2.gz IGJGAUZYSIOGDY-OUAUKWLOSA-N 0 0 307.412 0.655 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000367599120 523725517 /nfs/dbraw/zinc/72/55/17/523725517.db2.gz XPROUFZKLWZAJZ-UMNHJUIQSA-N 0 0 322.386 0.947 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@@H](CO)Oc2ccccc21 ZINC000364239889 523743388 /nfs/dbraw/zinc/74/33/88/523743388.db2.gz CEVCYSSYFUOGFV-NSHDSACASA-N 0 0 323.374 0.852 10 0 DCAERN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H](C)n1nc(C)cc1C ZINC000249352633 523811377 /nfs/dbraw/zinc/81/13/77/523811377.db2.gz KPLZAGODLUYTJP-XQQFMLRXSA-N 0 0 309.366 0.586 10 0 DCAERN CN(C(=O)c1cc[nH]c(=O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000126271894 523927863 /nfs/dbraw/zinc/92/78/63/523927863.db2.gz YQAPJXVSLZUQPQ-CYBMUJFWSA-N 0 0 313.361 0.906 10 0 DCAERN CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCCc2c1cnn2C ZINC000154718965 523928379 /nfs/dbraw/zinc/92/83/79/523928379.db2.gz NOOBYQWRNKRLSN-GFCCVEGCSA-N 0 0 301.350 0.663 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000120472955 523969080 /nfs/dbraw/zinc/96/90/80/523969080.db2.gz DBCSFZZELPRVKU-ZDUSSCGKSA-N 0 0 303.362 0.925 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000120355505 524082483 /nfs/dbraw/zinc/08/24/83/524082483.db2.gz QOQQSMXNJVQXTJ-LBPRGKRZSA-N 0 0 315.377 0.936 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)c1 ZINC000120484373 524131485 /nfs/dbraw/zinc/13/14/85/524131485.db2.gz AOQJIKVREGQPPM-LBPRGKRZSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@H](CCO)NC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189156569 524212271 /nfs/dbraw/zinc/21/22/71/524212271.db2.gz JNYKSKMTEQKNPP-BXUZGUMPSA-N 0 0 323.368 0.997 10 0 DCAERN Cc1ccc(CC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)s1 ZINC000129836959 524265318 /nfs/dbraw/zinc/26/53/18/524265318.db2.gz BDYUHDCKYJZJPP-LLVKDONJSA-N 0 0 316.448 0.997 10 0 DCAERN C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000247329774 524423271 /nfs/dbraw/zinc/42/32/71/524423271.db2.gz JBOKRPHOCHNKCS-JHJVBQTASA-N 0 0 312.414 0.050 10 0 DCAERN Cc1cccc(C[C@H](CO)NC(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000188045432 524468992 /nfs/dbraw/zinc/46/89/92/524468992.db2.gz GJTNGNPOYDNPQI-HZPDHXFCSA-N 0 0 321.421 0.528 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CC(NC(=O)C3CC3)C2)n1 ZINC000189455399 524593920 /nfs/dbraw/zinc/59/39/20/524593920.db2.gz XRLONZRNHHFGMC-UHFFFAOYSA-N 0 0 320.418 0.923 10 0 DCAERN C[C@@H](CN1CCN(CC(C)(C)O)[C@H](C)C1)CS(C)(=O)=O ZINC000249379113 524619432 /nfs/dbraw/zinc/61/94/32/524619432.db2.gz OSLIVXMDCBKQES-QWHCGFSZSA-N 0 0 306.472 0.444 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCC1=O ZINC000189047955 524661887 /nfs/dbraw/zinc/66/18/87/524661887.db2.gz HZLUSFLSCPETLB-JTQLQIEISA-N 0 0 322.386 0.572 10 0 DCAERN C[C@H](C[S@](C)=O)N(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000157187693 524672730 /nfs/dbraw/zinc/67/27/30/524672730.db2.gz CAKDZIDARVXESR-LADRHHBVSA-N 0 0 309.391 0.555 10 0 DCAERN C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H](C(N)=O)O1 ZINC000157577977 524795095 /nfs/dbraw/zinc/79/50/95/524795095.db2.gz LYTTWCMUEDKOJT-BXKDBHETSA-N 0 0 302.334 0.207 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(N)=O)nc2)[nH]n1 ZINC000162957458 524833071 /nfs/dbraw/zinc/83/30/71/524833071.db2.gz LILRDCVDUOEMFC-QMMMGPOBSA-N 0 0 302.338 0.965 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(Br)o2)C[C@@H](C(N)=O)O1 ZINC000157449341 524859858 /nfs/dbraw/zinc/85/98/58/524859858.db2.gz ZGAXPSDRFIQCKI-SVRRBLITSA-N 0 0 317.139 0.757 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCc2ccccn2)[C@@H](C)CO1 ZINC000246164408 525045372 /nfs/dbraw/zinc/04/53/72/525045372.db2.gz CXRRIZFVKOPSOW-QWHCGFSZSA-N 0 0 313.423 0.958 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCN3C)C2=O)n(C)n1 ZINC000266315138 525067343 /nfs/dbraw/zinc/06/73/43/525067343.db2.gz FJYZEZFMFNDOKV-CHWSQXEVSA-N 0 0 319.409 0.434 10 0 DCAERN C[C@@H](NC(=O)CN1CCN(CCO)[C@H](C)C1)c1cccs1 ZINC000249604043 525106996 /nfs/dbraw/zinc/10/69/96/525106996.db2.gz ZCPBVNMGFKBDED-CHWSQXEVSA-N 0 0 311.451 0.924 10 0 DCAERN Cc1ccccc1OC[C@H](O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000247111090 525313850 /nfs/dbraw/zinc/31/38/50/525313850.db2.gz PBYRRCLRYBHVAH-UONOGXRCSA-N 0 0 313.419 0.854 10 0 DCAERN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000162554710 525629477 /nfs/dbraw/zinc/62/94/77/525629477.db2.gz QDBZXSOOXJRLJU-NEPJUHHUSA-N 0 0 304.389 0.235 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000155656181 525769145 /nfs/dbraw/zinc/76/91/45/525769145.db2.gz WWYYVOPBISXOIS-SNVBAGLBSA-N 0 0 305.309 0.872 10 0 DCAERN C[C@H](C(=O)NCc1ccccc1)N1CCS(=O)(=O)[C@H](C)C1 ZINC000247003251 526084010 /nfs/dbraw/zinc/08/40/10/526084010.db2.gz IQFAVRCQVIZGGY-CHWSQXEVSA-N 0 0 310.419 0.810 10 0 DCAERN COc1cccc(OC)c1S(=O)(=O)NCc1ccnn1C ZINC000186251887 526225053 /nfs/dbraw/zinc/22/50/53/526225053.db2.gz NNDLJPZRYLPVGY-UHFFFAOYSA-N 0 0 311.363 0.916 10 0 DCAERN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCCO1 ZINC000158865999 526511889 /nfs/dbraw/zinc/51/18/89/526511889.db2.gz PRDHLXDNCUDEJC-UHFFFAOYSA-N 0 0 302.327 0.658 10 0 DCAERN Cc1noc(CCNC(=O)N2CC(NC(=O)C3CCC3)C2)n1 ZINC000188834900 526607867 /nfs/dbraw/zinc/60/78/67/526607867.db2.gz XEIMQMLJXYMIBF-UHFFFAOYSA-N 0 0 307.354 0.231 10 0 DCAERN CC(=O)N1CC[C@@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)C1 ZINC000176375820 526643969 /nfs/dbraw/zinc/64/39/69/526643969.db2.gz RAWKTEDIRJZYPT-SNVBAGLBSA-N 0 0 303.318 0.938 10 0 DCAERN Cc1nc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c(=O)[nH]c1C ZINC000156317940 526654964 /nfs/dbraw/zinc/65/49/64/526654964.db2.gz FGKGPIWRQDHXFL-SNVBAGLBSA-N 0 0 316.365 0.806 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1(CCO)CCCC1 ZINC000330991953 526678076 /nfs/dbraw/zinc/67/80/76/526678076.db2.gz BAQGKTKELARXPR-GFCCVEGCSA-N 0 0 300.424 0.967 10 0 DCAERN O=C(NCc1cnc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000183731922 526806053 /nfs/dbraw/zinc/80/60/53/526806053.db2.gz YQLKHRDNJNEFRO-LBPRGKRZSA-N 0 0 309.341 0.710 10 0 DCAERN Cc1sc(=O)n(CC(=O)NCC2(C)OCCCO2)c1C ZINC000191098838 526867726 /nfs/dbraw/zinc/86/77/26/526867726.db2.gz WESIRFVUXAHHRL-UHFFFAOYSA-N 0 0 300.380 0.796 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H](O)c1ccccc1 ZINC000365849923 526920100 /nfs/dbraw/zinc/92/01/00/526920100.db2.gz DKKCJNBYVTYXLH-CABCVRRESA-N 0 0 318.373 0.616 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)Cn2ncn(C)c2=O)cs1 ZINC000187093760 527048749 /nfs/dbraw/zinc/04/87/49/527048749.db2.gz WXKQXKQWCKLMPZ-NSHDSACASA-N 0 0 307.379 0.710 10 0 DCAERN NC(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000159087662 527063153 /nfs/dbraw/zinc/06/31/53/527063153.db2.gz ZJSNVATUPLDZFN-UONOGXRCSA-N 0 0 312.329 0.960 10 0 DCAERN O=C1N[C@H](c2cnn(Cc3ccc(F)cc3)c2)N2CCOC[C@@H]12 ZINC000187066564 527086880 /nfs/dbraw/zinc/08/68/80/527086880.db2.gz KLRRTZZMMNRDJS-GJZGRUSLSA-N 0 0 316.336 0.900 10 0 DCAERN Cn1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cn1 ZINC000158897563 527160428 /nfs/dbraw/zinc/16/04/28/527160428.db2.gz ICZJOIURJYLGFD-QWHCGFSZSA-N 0 0 305.334 0.978 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCNC(=O)C1 ZINC000119475141 527231227 /nfs/dbraw/zinc/23/12/27/527231227.db2.gz URUOHXPXDZILLP-LLVKDONJSA-N 0 0 304.350 0.383 10 0 DCAERN Cn1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000123044341 527260300 /nfs/dbraw/zinc/26/03/00/527260300.db2.gz VKSYROGFBJBPMJ-IAQYHMDHSA-N 0 0 306.366 0.512 10 0 DCAERN O=C(Nc1cccc(C(F)F)c1)C(=O)N1CCNC(=O)CC1 ZINC000190433268 527332219 /nfs/dbraw/zinc/33/22/19/527332219.db2.gz WLPYYFXTLQITIX-UHFFFAOYSA-N 0 0 311.288 0.911 10 0 DCAERN Cc1ncccc1CN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000119977742 527359182 /nfs/dbraw/zinc/35/91/82/527359182.db2.gz BNMBVIGPMHTNKM-UHFFFAOYSA-N 0 0 318.421 0.366 10 0 DCAERN O=C(NC1CN(C[C@H](O)COc2ccccc2F)C1)C1CC1 ZINC000187979131 527543634 /nfs/dbraw/zinc/54/36/34/527543634.db2.gz RPSJOTJEQOGWAW-ZDUSSCGKSA-N 0 0 308.353 0.776 10 0 DCAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CO ZINC000364167144 527564278 /nfs/dbraw/zinc/56/42/78/527564278.db2.gz GUZYPZJCMDFVSV-JGVFFNPUSA-N 0 0 309.750 0.411 10 0 DCAERN Cn1nccc1CCC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000130587873 527603911 /nfs/dbraw/zinc/60/39/11/527603911.db2.gz DRAIZUYZQVVTND-UHFFFAOYSA-N 0 0 308.363 0.790 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000188840150 527926132 /nfs/dbraw/zinc/92/61/32/527926132.db2.gz PMWUSTUWTLHAGM-IAQYHMDHSA-N 0 0 300.399 0.585 10 0 DCAERN CCCN1CCN(S(=O)(=O)CCN(C)C)C(C)(C)C1=O ZINC000408514186 528249429 /nfs/dbraw/zinc/24/94/29/528249429.db2.gz KGUCSGLAXDHJFL-UHFFFAOYSA-N 0 0 305.444 0.211 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000162975164 528402907 /nfs/dbraw/zinc/40/29/07/528402907.db2.gz BJYCCJJDFWXFDT-NEPJUHHUSA-N 0 0 310.398 0.307 10 0 DCAERN CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000154987196 528608825 /nfs/dbraw/zinc/60/88/25/528608825.db2.gz WORHUOUOOINIKI-JHJVBQTASA-N 0 0 322.471 0.973 10 0 DCAERN CC(C)n1nnnc1CSCc1nc(N)nc(N(C)C)n1 ZINC000176895351 528702799 /nfs/dbraw/zinc/70/27/99/528702799.db2.gz SLECFCMPLJEXEE-UHFFFAOYSA-N 0 0 309.403 0.521 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N1CCCC[C@H]1C ZINC000176564887 528703701 /nfs/dbraw/zinc/70/37/01/528703701.db2.gz GJZMWFZVESHZDQ-FIKIJFGZSA-N 0 0 313.427 0.904 10 0 DCAERN CC(C)[C@H](C(=O)NCC1(CCO)CC1)N1CCCS1(=O)=O ZINC000188010771 528917212 /nfs/dbraw/zinc/91/72/12/528917212.db2.gz NVTZRTHFLZKXNP-GFCCVEGCSA-N 0 0 318.439 0.325 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)C1=O ZINC000172592055 529081215 /nfs/dbraw/zinc/08/12/15/529081215.db2.gz DJPCNZSZQALGSX-SRVKXCTJSA-N 0 0 310.398 0.339 10 0 DCAERN CNC(=O)NC1CN(C(=O)N[C@@H]2CCc3ccccc3C2)C1 ZINC000283532685 536330494 /nfs/dbraw/zinc/33/04/94/536330494.db2.gz CAYFTWRRKNMWMU-CYBMUJFWSA-N 0 0 302.378 0.867 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)c2cc3c(cc2O)CCCC3)CCO1 ZINC000272975247 536397701 /nfs/dbraw/zinc/39/77/01/536397701.db2.gz CSJOSCVVJULNRG-OAHLLOKOSA-N 0 0 318.373 0.858 10 0 DCAERN CC(C)[C@@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000030495036 545644002 /nfs/dbraw/zinc/64/40/02/545644002.db2.gz LBIOFOVEOVROAF-SECBINFHSA-N 0 0 306.409 0.657 10 0 DCAERN NC(=O)[C@@]([NH3+])(Cn1cc(I)cn1)C1CC1 ZINC000070678648 545660943 /nfs/dbraw/zinc/66/09/43/545660943.db2.gz VGQJGQMBRGETME-SECBINFHSA-N 0 0 320.134 0.081 10 0 DCAERN COC(=O)[C@@](C)([NH3+])CCn1cc(I)cn1 ZINC000070678541 545661487 /nfs/dbraw/zinc/66/14/87/545661487.db2.gz YSRYFLGYVUNLEJ-VIFPVBQESA-N 0 0 323.134 0.768 10 0 DCAERN C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000078378259 545680729 /nfs/dbraw/zinc/68/07/29/545680729.db2.gz GDWDFSQBVGCGEB-HNNXBMFYSA-N 0 0 314.393 0.667 10 0 DCAERN CCC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000079933614 545687304 /nfs/dbraw/zinc/68/73/04/545687304.db2.gz OMADELMFQWKEJZ-NSHDSACASA-N 0 0 310.375 0.836 10 0 DCAERN CCc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)oc1CC ZINC000132371093 545793454 /nfs/dbraw/zinc/79/34/54/545793454.db2.gz YKYGUDVFNNQSJB-CYBMUJFWSA-N 0 0 310.394 0.827 10 0 DCAERN C[C@@H]1CC[C@H](CCC(=O)NC[C@H](O)CN2CCOCC2)O1 ZINC000133131588 545797334 /nfs/dbraw/zinc/79/73/34/545797334.db2.gz QEGAMNILBPMPBQ-HZSPNIEDSA-N 0 0 300.399 0.143 10 0 DCAERN CCOCCC1(C(=O)NC[C@@H](O)CN2CCOCC2)CCC1 ZINC000133019211 545797586 /nfs/dbraw/zinc/79/75/86/545797586.db2.gz JWSCYXTTXFVYSD-CQSZACIVSA-N 0 0 314.426 0.393 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccnc(C)n1 ZINC000155124854 545843790 /nfs/dbraw/zinc/84/37/90/545843790.db2.gz MQDILZWTQJSJTQ-JTQLQIEISA-N 0 0 302.338 0.788 10 0 DCAERN CN(C)c1ncccc1CNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000177396529 545891068 /nfs/dbraw/zinc/89/10/68/545891068.db2.gz RFDSGDWRIVCNGT-GFCCVEGCSA-N 0 0 317.393 0.710 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000178127757 545894222 /nfs/dbraw/zinc/89/42/22/545894222.db2.gz JQQONRYUVMLVRM-UHFFFAOYSA-N 0 0 301.346 0.779 10 0 DCAERN C[C@H](CS(C)(=O)=O)N(C)Cc1nnc(C2CCC2)n1C ZINC000181328094 545903101 /nfs/dbraw/zinc/90/31/01/545903101.db2.gz GNSNUWVTIKCEHE-SNVBAGLBSA-N 0 0 300.428 0.948 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000183528480 545908763 /nfs/dbraw/zinc/90/87/63/545908763.db2.gz UMXJRCHBKPMDJX-OLZOCXBDSA-N 0 0 309.370 0.258 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000190483678 545923929 /nfs/dbraw/zinc/92/39/29/545923929.db2.gz PZZNUUGSIDRBRG-UHFFFAOYSA-N 0 0 305.363 0.504 10 0 DCAERN Cc1c(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)ccn1C ZINC000192520449 545928413 /nfs/dbraw/zinc/92/84/13/545928413.db2.gz QHNYAXVGJRHILO-DGCLKSJQSA-N 0 0 313.423 0.781 10 0 DCAERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1n[nH]c(C(C)(C)C)n1 ZINC000195168333 545934056 /nfs/dbraw/zinc/93/40/56/545934056.db2.gz WWWBIZIIKYYPQW-QMMMGPOBSA-N 0 0 323.440 0.557 10 0 DCAERN CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(N)=O ZINC000207568818 545936672 /nfs/dbraw/zinc/93/66/72/545936672.db2.gz FYADRUDAKZOZEO-ZDUSSCGKSA-N 0 0 302.334 0.023 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCC[C@@H]3O)C2)cn1 ZINC000245681447 545961961 /nfs/dbraw/zinc/96/19/61/545961961.db2.gz GNAFSFFKZDUDHC-UBHSHLNASA-N 0 0 307.398 0.602 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)NC[C@H]1CCCC[C@H]1O)CC2 ZINC000332853179 546063419 /nfs/dbraw/zinc/06/34/19/546063419.db2.gz OYPLPJZQEQRRJG-BFHYXJOUSA-N 0 0 321.425 0.999 10 0 DCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000332876814 546064140 /nfs/dbraw/zinc/06/41/40/546064140.db2.gz KMJMMDHOGXTVBF-NEPJUHHUSA-N 0 0 316.423 0.327 10 0 DCAERN O=C(CCNC(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCCCC1 ZINC000332880845 546064231 /nfs/dbraw/zinc/06/42/31/546064231.db2.gz VIJGSXJEGHSXKW-BFHYXJOUSA-N 0 0 309.410 0.801 10 0 DCAERN CCN1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1=O ZINC000333240627 546075156 /nfs/dbraw/zinc/07/51/56/546075156.db2.gz ZSPOYRBYFSRRFK-WOSRLPQWSA-N 0 0 309.410 0.944 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)CC1=O ZINC000333425567 546081141 /nfs/dbraw/zinc/08/11/41/546081141.db2.gz MSCJUGKTIZWVSY-SYLRKERUSA-N 0 0 316.423 0.483 10 0 DCAERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCc2nnnn2CC1 ZINC000333799963 546093040 /nfs/dbraw/zinc/09/30/40/546093040.db2.gz XYFWZICRJIAABE-SRVKXCTJSA-N 0 0 308.386 0.228 10 0 DCAERN CO[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1c1cn[nH]n1 ZINC000622164859 546321987 /nfs/dbraw/zinc/32/19/87/546321987.db2.gz FBHHHEQXKWJMHT-TVQRCGJNSA-N 0 0 305.313 0.522 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)c1ncsc1Br ZINC000673190210 547459273 /nfs/dbraw/zinc/45/92/73/547459273.db2.gz JHJFRTQOPHBWGU-RXMQYKEDSA-N 0 0 304.169 0.914 10 0 DCAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1ccsc1)C2 ZINC000675006152 547656960 /nfs/dbraw/zinc/65/69/60/547656960.db2.gz NLSSZGWGJAYBMI-DVVUODLYSA-N 0 0 300.405 0.900 10 0 DCAERN COCCOCc1c(N)n(C2CCOCC2)nc1C(=O)OC ZINC000725254544 548748847 /nfs/dbraw/zinc/74/88/47/548748847.db2.gz XXSGHJNGAZRVSG-UHFFFAOYSA-N 0 0 313.354 0.766 10 0 DCAERN Cc1ccc([C@H](C)CNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000737645717 660700591 /nfs/dbraw/zinc/70/05/91/660700591.db2.gz AHTJXPWWFZQOED-GFCCVEGCSA-N 0 0 315.373 0.926 10 0 DCAERN CCCn1cc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cn1 ZINC000722363224 661032162 /nfs/dbraw/zinc/03/21/62/661032162.db2.gz JIPXHHWEOMEESV-JTQLQIEISA-N 0 0 300.384 0.008 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1sccc1Br ZINC000722486111 661271955 /nfs/dbraw/zinc/27/19/55/661271955.db2.gz LHTUKCQMAOWHME-YFKPBYRVSA-N 0 0 313.198 0.692 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccc(OC(F)(F)F)cc1 ZINC000722503566 661283276 /nfs/dbraw/zinc/28/32/76/661283276.db2.gz WIVXWTXTKGDDEH-ZETCQYMHSA-N 0 0 312.269 0.767 10 0 DCAERN Cn1ccnc1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000091108379 665479868 /nfs/dbraw/zinc/47/98/68/665479868.db2.gz UCQXHPTYBZQLQJ-UHFFFAOYSA-N 0 0 314.301 0.167 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OCC ZINC000049497587 657469755 /nfs/dbraw/zinc/46/97/55/657469755.db2.gz ZSWDTAJXEFONLT-QWRGUYRKSA-N 0 0 320.411 0.258 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCCC[C@H]1C(N)=O ZINC000255574476 657643625 /nfs/dbraw/zinc/64/36/25/657643625.db2.gz HVFOJFYKORDAHQ-YPMHNXCESA-N 0 0 319.409 0.554 10 0 DCAERN CC(C)(CNc1ncccc1S(C)(=O)=O)CS(C)(=O)=O ZINC000723880185 657703781 /nfs/dbraw/zinc/70/37/81/657703781.db2.gz ZFVLKYBCMZANKF-UHFFFAOYSA-N 0 0 320.436 0.968 10 0 DCAERN Cn1ccnc1COC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000121088672 657708516 /nfs/dbraw/zinc/70/85/16/657708516.db2.gz DVJFLKQBCLSLPC-QMMMGPOBSA-N 0 0 305.256 0.874 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1CN1C(=O)C(=O)N(C)C1=O ZINC000176078972 657802081 /nfs/dbraw/zinc/80/20/81/657802081.db2.gz DWIHULUMLXZUTC-LLVKDONJSA-N 0 0 305.338 0.034 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000176142706 657889681 /nfs/dbraw/zinc/88/96/81/657889681.db2.gz JLUIORYURRYMIV-CHWSQXEVSA-N 0 0 302.330 0.853 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CNCCS2(=O)=O)[C@H]1C ZINC000725018428 658023550 /nfs/dbraw/zinc/02/35/50/658023550.db2.gz NZPBYNMDVCGTNI-XQHKEYJVSA-N 0 0 302.440 0.704 10 0 DCAERN Cn1cc(/C=C\C(=O)N2CCC3(CCCC3)C2)c(=O)n(C)c1=O ZINC000254986327 658056973 /nfs/dbraw/zinc/05/69/73/658056973.db2.gz ZKPOBDHJZYWGIN-WAYWQWQTSA-N 0 0 317.389 0.890 10 0 DCAERN CC(C)N=c1ccccn1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000255440335 658124324 /nfs/dbraw/zinc/12/43/24/658124324.db2.gz MUUZCFWXEGXOON-UHFFFAOYSA-N 0 0 304.350 0.768 10 0 DCAERN CCOC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C ZINC000260880900 658373923 /nfs/dbraw/zinc/37/39/23/658373923.db2.gz NHVMYAKSLYAUTA-SNVBAGLBSA-N 0 0 321.395 0.974 10 0 DCAERN Cn1cc(Cl)cc1C(=O)NCC1(S(N)(=O)=O)CCC1 ZINC000721517989 658413491 /nfs/dbraw/zinc/41/34/91/658413491.db2.gz BOYGNMXOMYCLRC-UHFFFAOYSA-N 0 0 305.787 0.620 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC[S@](=O)C(C)(C)C ZINC000158673906 658555255 /nfs/dbraw/zinc/55/52/55/658555255.db2.gz FXMCTBNXLCOACB-WVDJIFEKSA-N 0 0 303.428 0.454 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@]2(C)CCCO2)c(=O)n(C)c1=O ZINC000177247620 658723993 /nfs/dbraw/zinc/72/39/93/658723993.db2.gz RVSABJMXUZRUMW-NFAHFFEMSA-N 0 0 308.334 0.210 10 0 DCAERN C#CCN(CC(=O)N[C@H](C)C1CC1)CC(=O)N[C@@H](C)C1CC1 ZINC000047550495 658727366 /nfs/dbraw/zinc/72/73/66/658727366.db2.gz PCFNFPRUOIUQMT-BETUJISGSA-N 0 0 305.422 0.751 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)[C@H]1CC1(Cl)Cl ZINC000725760729 658769654 /nfs/dbraw/zinc/76/96/54/658769654.db2.gz KQEYWLITCCYGKB-MRVPVSSYSA-N 0 0 315.222 0.722 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)OCCc1cccnc1 ZINC000181538483 665611786 /nfs/dbraw/zinc/61/17/86/665611786.db2.gz MQXYEOBNOHEZOC-UHFFFAOYSA-N 0 0 300.380 0.839 10 0 DCAERN CO[C@@H]1CCC[C@@H](OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000255906655 658997171 /nfs/dbraw/zinc/99/71/71/658997171.db2.gz VWFJJKPETJFMRC-OTHLQRGRSA-N 0 0 322.361 0.598 10 0 DCAERN Cn1ccc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000183967307 659204484 /nfs/dbraw/zinc/20/44/84/659204484.db2.gz QNSWCEVELZFPLU-KBPBESRZSA-N 0 0 319.361 0.907 10 0 DCAERN Cn1cnc(S(=O)(=O)N[C@H]2CCC[C@H](CO)C2)c1Cl ZINC000311404165 659285818 /nfs/dbraw/zinc/28/58/18/659285818.db2.gz IIPDEXNCGRHIIH-IUCAKERBSA-N 0 0 307.803 0.903 10 0 DCAERN CNC(=O)[C@H](NC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)C(C)C ZINC000192546264 659418107 /nfs/dbraw/zinc/41/81/07/659418107.db2.gz WPKVOAZZJIMSQO-ZYHUDNBSSA-N 0 0 320.397 0.450 10 0 DCAERN NS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2CSC(=O)N2)cc1 ZINC000040378650 659517160 /nfs/dbraw/zinc/51/71/60/659517160.db2.gz XUZKCFVQPIHGMU-VIFPVBQESA-N 0 0 315.376 0.239 10 0 DCAERN CCN1C[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1=O ZINC000333571232 659781627 /nfs/dbraw/zinc/78/16/27/659781627.db2.gz YBIIPKAUMWFLPJ-MISXGVKJSA-N 0 0 324.425 0.600 10 0 DCAERN CCN1C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1=O ZINC000333571224 659781636 /nfs/dbraw/zinc/78/16/36/659781636.db2.gz YBIIPKAUMWFLPJ-JTNHKYCSSA-N 0 0 324.425 0.600 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N(C)CC(=O)OC(C)(C)C ZINC000337567773 661401250 /nfs/dbraw/zinc/40/12/50/661401250.db2.gz ASQKRJSGARCIKS-JTQLQIEISA-N 0 0 302.396 0.708 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CCNC[C@H]1c1cccnc1 ZINC000261700526 661434891 /nfs/dbraw/zinc/43/48/91/661434891.db2.gz CYHCQAWRXLKCKN-ZDUSSCGKSA-N 0 0 316.361 0.094 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000220536007 661500897 /nfs/dbraw/zinc/50/08/97/661500897.db2.gz NMRFUWDSGUTCCN-VIFPVBQESA-N 0 0 320.374 0.801 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCNC[C@@H]2c2nccn2C)n1 ZINC000261716918 661538079 /nfs/dbraw/zinc/53/80/79/661538079.db2.gz LBFMCQDCKLWRKX-UONOGXRCSA-N 0 0 316.409 0.968 10 0 DCAERN CC(=O)N1Cc2cccnc2[C@H](C(=O)N2CCC(O)CC2)C1 ZINC000222650303 661625890 /nfs/dbraw/zinc/62/58/90/661625890.db2.gz VGEDPVFKWXREPZ-CQSZACIVSA-N 0 0 303.362 0.511 10 0 DCAERN C[C@H]1C[C@H]1CNC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000726461249 661659172 /nfs/dbraw/zinc/65/91/72/661659172.db2.gz XWLJEJAJXNVBPR-ONGXEEELSA-N 0 0 313.448 0.954 10 0 DCAERN CN[C@@H](C(=O)NC[C@@H](O)c1ccc(F)cc1)c1cnn(C)c1 ZINC000262044469 661982232 /nfs/dbraw/zinc/98/22/32/661982232.db2.gz GRHAWLXYKOQKJI-ZIAGYGMSSA-N 0 0 306.341 0.670 10 0 DCAERN Cn1cc(/C=C\C(=O)OCc2cccnc2)c(=O)n(C)c1=O ZINC000054189032 662100595 /nfs/dbraw/zinc/10/05/95/662100595.db2.gz SIAHDXNTRYTRFC-WAYWQWQTSA-N 0 0 301.302 0.236 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNc1ncnc2sccc21 ZINC000721810700 662102829 /nfs/dbraw/zinc/10/28/29/662102829.db2.gz AIIUITSXKGOEDT-SECBINFHSA-N 0 0 312.420 0.880 10 0 DCAERN CC(C)CCN(C(=O)C[C@H]1CS(=O)(=O)CCN1)C1CC1 ZINC000125178529 668227014 /nfs/dbraw/zinc/22/70/14/668227014.db2.gz YEWNRVYHYBBFJQ-LBPRGKRZSA-N 0 0 302.440 0.800 10 0 DCAERN O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@@H](n2cncn2)C1 ZINC000896175430 662247817 /nfs/dbraw/zinc/24/78/17/662247817.db2.gz VKGIZPUMUVKMSG-ZIAGYGMSSA-N 0 0 305.382 0.162 10 0 DCAERN CN(CC(=O)OCC(F)(F)F)S(=O)(=O)c1cccnc1 ZINC000075483180 662264358 /nfs/dbraw/zinc/26/43/58/662264358.db2.gz OMQKEYSTZCVMTI-UHFFFAOYSA-N 0 0 312.269 0.808 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)NCCCn1ccnn1 ZINC000182704717 665886029 /nfs/dbraw/zinc/88/60/29/665886029.db2.gz JEEKZUMZEPKEEZ-HXUWFJFHSA-N 0 0 301.416 0.515 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1F ZINC000179139885 662780737 /nfs/dbraw/zinc/78/07/37/662780737.db2.gz CTOKIUYJAKNJHR-UHFFFAOYSA-N 0 0 316.354 0.487 10 0 DCAERN O=C(N[C@@H]1CCOC1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179168777 662812416 /nfs/dbraw/zinc/81/24/16/662812416.db2.gz HVFGAXFPVHHSGD-CVEARBPZSA-N 0 0 319.405 0.836 10 0 DCAERN COC(=O)N(C)CCCC(=O)OCC(=O)N(C)CC1CC1 ZINC000729776773 662910073 /nfs/dbraw/zinc/91/00/73/662910073.db2.gz OYMYHSCJTUEOKY-UHFFFAOYSA-N 0 0 300.355 0.876 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)O1 ZINC000898225165 662945134 /nfs/dbraw/zinc/94/51/34/662945134.db2.gz DAWJNFOWPSJZKW-ADEWGFFLSA-N 0 0 322.365 0.067 10 0 DCAERN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)O)cc1 ZINC000344880299 663079680 /nfs/dbraw/zinc/07/96/80/663079680.db2.gz CRISMQNTKVJVIY-VHSXEESVSA-N 0 0 301.364 0.911 10 0 DCAERN COCCN(CC(=O)OC)C(=O)c1ccnc2[nH]c(C)nc21 ZINC000435458337 663198168 /nfs/dbraw/zinc/19/81/68/663198168.db2.gz OTMYZVLPOITVLY-UHFFFAOYSA-N 0 0 306.322 0.528 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000901065029 663313389 /nfs/dbraw/zinc/31/33/89/663313389.db2.gz KPPQRJXIPVPPJW-MRXNPFEDSA-N 0 0 320.393 0.529 10 0 DCAERN CC1=C(C)C(=O)N(CCC(=O)N[C@H]2CCCC[C@H]2CO)C1=O ZINC000901093253 663317063 /nfs/dbraw/zinc/31/70/63/663317063.db2.gz CCPNVSFIAGHBBY-STQMWFEESA-N 0 0 308.378 0.749 10 0 DCAERN C#CCNC(=O)CN(CCC1CCCC1)CC(=O)NCC#C ZINC000031475949 663588040 /nfs/dbraw/zinc/58/80/40/663588040.db2.gz TVWVIXGQJTZEMV-UHFFFAOYSA-N 0 0 303.406 0.368 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)CC1=O ZINC000909159708 663782660 /nfs/dbraw/zinc/78/26/60/663782660.db2.gz OZVYZBGGEXJBEV-NRWUCQMLSA-N 0 0 320.393 0.321 10 0 DCAERN Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCOC[C@@H]1CO ZINC000912429551 664171913 /nfs/dbraw/zinc/17/19/13/664171913.db2.gz ACMHTEYOCLYXOQ-QWRGUYRKSA-N 0 0 312.391 0.789 10 0 DCAERN O=C(NC1CC1)c1ccc(C(=O)N2CCOC[C@H]2CO)cc1 ZINC000912419474 664173808 /nfs/dbraw/zinc/17/38/08/664173808.db2.gz UYMLDPCCQHQSDQ-CQSZACIVSA-N 0 0 304.346 0.412 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCNC(=O)CC1(C)C ZINC000913069350 664261720 /nfs/dbraw/zinc/26/17/20/664261720.db2.gz WWOZYPVMSHBSSP-SNVBAGLBSA-N 0 0 307.350 0.525 10 0 DCAERN CC1(C)CN(Cn2nnc3ccccc3c2=O)CCS1(=O)=O ZINC000151413698 664330070 /nfs/dbraw/zinc/33/00/70/664330070.db2.gz RWEFDGIKUNGOTN-UHFFFAOYSA-N 0 0 322.390 0.258 10 0 DCAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)N1CCCCC1 ZINC000055042582 664363370 /nfs/dbraw/zinc/36/33/70/664363370.db2.gz ASQVPYLAJNPHEN-OAHLLOKOSA-N 0 0 316.405 0.785 10 0 DCAERN COC(=O)c1ncsc1S(=O)(=O)[N-]C1CC([NH+](C)C)C1 ZINC000701484809 666847499 /nfs/dbraw/zinc/84/74/99/666847499.db2.gz DNABAZXVYLBXIB-UHFFFAOYSA-N 0 0 319.408 0.301 10 0 DCAERN CCc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OC)s1 ZINC000168979759 664534860 /nfs/dbraw/zinc/53/48/60/664534860.db2.gz OGRDLWIMFDRPLS-PSASIEDQSA-N 0 0 319.404 0.607 10 0 DCAERN O=S(=O)(c1ccc(N2CCOC[C@@H]2CO)cc1)C(F)F ZINC000168734371 664531052 /nfs/dbraw/zinc/53/10/52/664531052.db2.gz KLECEBVYUBMNOV-JTQLQIEISA-N 0 0 307.318 0.880 10 0 DCAERN COC(=O)[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000227811939 664539153 /nfs/dbraw/zinc/53/91/53/664539153.db2.gz DNCJFJGHGVWKHK-RYUDHWBXSA-N 0 0 304.412 0.704 10 0 DCAERN Nc1ncc(S(=O)(=O)NC[C@H]2CSCCS2)cn1 ZINC000229644900 664607239 /nfs/dbraw/zinc/60/72/39/664607239.db2.gz HNXJOCGCJHTKOX-ZETCQYMHSA-N 0 0 306.438 0.186 10 0 DCAERN CC1(COC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)COC1 ZINC000170731562 664589017 /nfs/dbraw/zinc/58/90/17/664589017.db2.gz MREGPBKKMKFQNA-UHFFFAOYSA-N 0 0 304.302 0.270 10 0 DCAERN CC(C)N1C(=O)C(=O)N(CN2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000171361104 664607548 /nfs/dbraw/zinc/60/75/48/664607548.db2.gz IUQUGEOQJAQCMV-GFCCVEGCSA-N 0 0 319.365 0.714 10 0 DCAERN C[C@H]1CN(C(=O)CN2CCC(Nc3cccnn3)CC2)CCO1 ZINC000171552622 664610456 /nfs/dbraw/zinc/61/04/56/664610456.db2.gz MVIZYHRLZJKFGA-ZDUSSCGKSA-N 0 0 319.409 0.600 10 0 DCAERN CN1CC[C@@H](NS(=O)(=O)c2cccc3ncccc32)C1=O ZINC000172616563 664623564 /nfs/dbraw/zinc/62/35/64/664623564.db2.gz QYGLUEGWUYCDIY-GFCCVEGCSA-N 0 0 305.359 0.744 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)NCCOCCS(C)(=O)=O)n1 ZINC000172738415 664624700 /nfs/dbraw/zinc/62/47/00/664624700.db2.gz URVOQQIMRKMCEK-LBPRGKRZSA-N 0 0 317.411 0.238 10 0 DCAERN Cc1nn(C)cc1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000172757742 664624838 /nfs/dbraw/zinc/62/48/38/664624838.db2.gz IIPXVQNQCGRNLA-NSHDSACASA-N 0 0 300.384 0.481 10 0 DCAERN CN(CC(=O)Nc1cnc(Br)cn1)S(C)(=O)=O ZINC000174064268 664634847 /nfs/dbraw/zinc/63/48/47/664634847.db2.gz VJHYNQWWPIWLDV-UHFFFAOYSA-N 0 0 323.172 0.069 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCC(F)(F)C(F)F)c2=O ZINC000174505878 664639971 /nfs/dbraw/zinc/63/99/71/664639971.db2.gz NFDXJUZJLCYKIB-UHFFFAOYSA-N 0 0 322.218 0.574 10 0 DCAERN C[C@H](NC(=O)CCC(=O)N1CCOc2ccccc21)C(N)=O ZINC000730273577 664673686 /nfs/dbraw/zinc/67/36/86/664673686.db2.gz YSNGGDNSAUHSQC-JTQLQIEISA-N 0 0 305.334 0.182 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C(=O)C(C)C ZINC000152280120 664743887 /nfs/dbraw/zinc/74/38/87/664743887.db2.gz HZZXBQKYOHCMIV-LBPRGKRZSA-N 0 0 318.439 0.527 10 0 DCAERN O=C(COC(=O)Cn1ncc2ccccc21)NC1CCOCC1 ZINC000730638099 664798874 /nfs/dbraw/zinc/79/88/74/664798874.db2.gz UBJMXILSYBZIFX-UHFFFAOYSA-N 0 0 317.345 0.875 10 0 DCAERN CCCNC(=O)NC(=O)COC(=O)Cn1ncc2ccccc21 ZINC000730639349 664799008 /nfs/dbraw/zinc/79/90/08/664799008.db2.gz XRNQGHGWEZAHFB-UHFFFAOYSA-N 0 0 318.333 0.815 10 0 DCAERN CCCCCCOCC(=O)N(C)CC(=O)N1CCN(C)CC1 ZINC000730841476 664819527 /nfs/dbraw/zinc/81/95/27/664819527.db2.gz AIDUIIXTHPXCPN-UHFFFAOYSA-N 0 0 313.442 0.816 10 0 DCAERN O=C(COC(=O)C1=COCCC1)N1CCN(C(=O)C2CC2)CC1 ZINC000730850456 664820458 /nfs/dbraw/zinc/82/04/58/664820458.db2.gz FTFFGRRXWKWMCV-UHFFFAOYSA-N 0 0 322.361 0.305 10 0 DCAERN O=C(COC(=O)C1=COCCC1)NC(=O)NCc1ccco1 ZINC000730851768 664820577 /nfs/dbraw/zinc/82/05/77/664820577.db2.gz DZSYRAOVBXUHAG-UHFFFAOYSA-N 0 0 308.290 0.843 10 0 DCAERN O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCCNC(=O)C1 ZINC000731761457 664883581 /nfs/dbraw/zinc/88/35/81/664883581.db2.gz MKIAFSPPEXLMHM-ZDUSSCGKSA-N 0 0 316.361 0.323 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@H]2CNC(=O)N2)c1 ZINC000732361298 664919904 /nfs/dbraw/zinc/91/99/04/664919904.db2.gz KLMKPYZFLHGUMT-JOYOIKCWSA-N 0 0 319.317 0.441 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)Cc1ccccc1C ZINC000153803973 665055778 /nfs/dbraw/zinc/05/57/78/665055778.db2.gz BBEUUWZAMVEIFF-CQSZACIVSA-N 0 0 303.362 0.696 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NC(C)(CO)CO)CC2=O)cc1 ZINC000183516181 666059331 /nfs/dbraw/zinc/05/93/31/666059331.db2.gz KPIFYPDAPYDJEW-GFCCVEGCSA-N 0 0 306.362 0.207 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCN1CCCCC1=O ZINC000358934468 666254998 /nfs/dbraw/zinc/25/49/98/666254998.db2.gz RICPRNDPBRSPGH-GFCCVEGCSA-N 0 0 313.423 0.427 10 0 DCAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCC1 ZINC000072524748 666323727 /nfs/dbraw/zinc/32/37/27/666323727.db2.gz MAOFWJMZQHSBII-SNVBAGLBSA-N 0 0 307.375 0.736 10 0 DCAERN O=C(Cc1ccoc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000185106402 666334336 /nfs/dbraw/zinc/33/43/36/666334336.db2.gz QJDLQDVOGDSFEQ-DZGCQCFKSA-N 0 0 320.301 0.941 10 0 DCAERN O=C(Cc1cc[nH]n1)NNC(=O)c1coc(Br)c1 ZINC000186124103 666689464 /nfs/dbraw/zinc/68/94/64/666689464.db2.gz QWHAIWJMZMJTLL-UHFFFAOYSA-N 0 0 313.111 0.769 10 0 DCAERN CC[C@H](C)C(=O)NNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000186140163 666695486 /nfs/dbraw/zinc/69/54/86/666695486.db2.gz FWJUQEBXEXKQOI-VIFPVBQESA-N 0 0 303.326 0.861 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)c1cc(Br)cnc1F ZINC000700899645 666778891 /nfs/dbraw/zinc/77/88/91/666778891.db2.gz PYHXIEZLJZYATC-MRVPVSSYSA-N 0 0 316.130 0.992 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)NCC[S@](=O)CC)C1 ZINC000733879341 666823274 /nfs/dbraw/zinc/82/32/74/666823274.db2.gz MBUCSRJEWQLUEE-MPBGBICISA-N 0 0 302.440 0.910 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCn1c2ccccc2n(C)c1=O ZINC000733962365 666832190 /nfs/dbraw/zinc/83/21/90/666832190.db2.gz JMEZSBZDTWYPQX-JOCHJYFZSA-N 0 0 323.418 0.615 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000733961427 666832301 /nfs/dbraw/zinc/83/23/01/666832301.db2.gz TVEVDSAYAFKNLW-UWCLWIGYSA-N 0 0 314.329 0.328 10 0 DCAERN CCC(CC)N1C[C@@H](C(=O)NCC[S@@](=O)CC)CC1=O ZINC000733963647 666832819 /nfs/dbraw/zinc/83/28/19/666832819.db2.gz XMQOPDCMDWMXNZ-YBTHPKLGSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@](=O)CCNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000733966350 666833221 /nfs/dbraw/zinc/83/32/21/666833221.db2.gz QQVCJJBFTJUWMT-NRFANRHFSA-N 0 0 307.375 0.432 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1cc(C)cc(C)c1 ZINC000734358038 666871185 /nfs/dbraw/zinc/87/11/85/666871185.db2.gz NLKVWVSNVXHWSH-OAQYLSRUSA-N 0 0 310.419 0.918 10 0 DCAERN CC[S@@](=O)CCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000734358825 666871427 /nfs/dbraw/zinc/87/14/27/666871427.db2.gz XCNRDKLTOWAKNW-OAQYLSRUSA-N 0 0 318.345 0.579 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCOC[C@@H]1CCCO1 ZINC000734449378 666876711 /nfs/dbraw/zinc/87/67/11/666876711.db2.gz YJUHIPUGXDGEQA-RYUDHWBXSA-N 0 0 302.396 0.220 10 0 DCAERN C[C@@H]1CN(c2ccc(Br)nn2)CCS1(=O)=O ZINC000702009016 666907891 /nfs/dbraw/zinc/90/78/91/666907891.db2.gz VXTMMTNTSWVGTQ-SSDOTTSWSA-N 0 0 306.185 0.862 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(CCOC)cc1 ZINC000735079769 666947334 /nfs/dbraw/zinc/94/73/34/666947334.db2.gz FXGQXSMRDAIOBA-IBGZPJMESA-N 0 0 319.448 0.922 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000735081453 666948705 /nfs/dbraw/zinc/94/87/05/666948705.db2.gz RMGUZNQDXCPXLN-SFHVURJKSA-N 0 0 309.384 0.881 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000735091073 666949822 /nfs/dbraw/zinc/94/98/22/666949822.db2.gz VTCRSSLZFDADSQ-ZNLKAECVSA-N 0 0 319.471 0.554 10 0 DCAERN CCOc1cccc(NC(=O)C(=O)NCC[S@@](=O)CC)c1 ZINC000735195598 666965394 /nfs/dbraw/zinc/96/53/94/666965394.db2.gz BFGGFQPRYMJJRI-NRFANRHFSA-N 0 0 312.391 0.909 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)N1CCc2cccc(C)c21 ZINC000735198846 666966260 /nfs/dbraw/zinc/96/62/60/666966260.db2.gz YFJFZQBYWLPERL-OAQYLSRUSA-N 0 0 308.403 0.769 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC000702812137 666999013 /nfs/dbraw/zinc/99/90/13/666999013.db2.gz CLEMELIKHRFWSU-UTUOFQBUSA-N 0 0 314.382 0.367 10 0 DCAERN CC(=O)c1ccc(OCCCC(=O)NCCNC(N)=O)cc1 ZINC000736110202 667103946 /nfs/dbraw/zinc/10/39/46/667103946.db2.gz KEMKORRYGOUYAI-UHFFFAOYSA-N 0 0 307.350 0.833 10 0 DCAERN O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1CNC(=O)C1 ZINC000119210206 667106591 /nfs/dbraw/zinc/10/65/91/667106591.db2.gz UQVVZLOAMZXMOQ-SNVBAGLBSA-N 0 0 308.300 0.940 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000705381779 667307146 /nfs/dbraw/zinc/30/71/46/667307146.db2.gz QEZKPLNDJDJZFZ-RRFJBIMHSA-N 0 0 319.405 0.815 10 0 DCAERN CC(C)N(CCS(C)(=O)=O)Cc1nsc(N(C)C)n1 ZINC000120449628 667315941 /nfs/dbraw/zinc/31/59/41/667315941.db2.gz UQMBLCVVLLRKCK-UHFFFAOYSA-N 0 0 306.457 0.859 10 0 DCAERN COC(=O)[C@@H]1CCCN(Cn2nc(CO)n(C)c2=S)C1 ZINC000120498339 667320863 /nfs/dbraw/zinc/32/08/63/667320863.db2.gz WWMSHURPBJWPTM-SECBINFHSA-N 0 0 300.384 0.286 10 0 DCAERN CCOCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000705746658 667370759 /nfs/dbraw/zinc/37/07/59/667370759.db2.gz SNBSJAKAKUBPIG-RYUDHWBXSA-N 0 0 316.398 0.757 10 0 DCAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccnc(Br)c1 ZINC000706798385 667423664 /nfs/dbraw/zinc/42/36/64/667423664.db2.gz DZRMBFRHWLVFOK-DTWKUNHWSA-N 0 0 301.140 0.724 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCC[C@@H]1CC=CCC1 ZINC000706834912 667425620 /nfs/dbraw/zinc/42/56/20/667425620.db2.gz DBIWGJBCMZBRCR-CHWSQXEVSA-N 0 0 300.424 0.626 10 0 DCAERN CC[C@@H](C)NC(=O)CCNS(=O)(=O)C1CCC(=O)CC1 ZINC000708241166 667442404 /nfs/dbraw/zinc/44/24/04/667442404.db2.gz MFUHQQHHARUPGI-SNVBAGLBSA-N 0 0 304.412 0.722 10 0 DCAERN CC[C@H](C)NC(=O)CCNS(=O)(=O)C1CCC(=O)CC1 ZINC000708241165 667442452 /nfs/dbraw/zinc/44/24/52/667442452.db2.gz MFUHQQHHARUPGI-JTQLQIEISA-N 0 0 304.412 0.722 10 0 DCAERN CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(O)cc1F ZINC000708273285 667442499 /nfs/dbraw/zinc/44/24/99/667442499.db2.gz BVTNWGHAGFHGRQ-UHFFFAOYSA-N 0 0 304.343 0.589 10 0 DCAERN CC(C)N1CC[C@H](NS(=O)(=O)c2cccnc2F)C1=O ZINC000709094837 667443924 /nfs/dbraw/zinc/44/39/24/667443924.db2.gz WLZQNWKKJHDYIT-VIFPVBQESA-N 0 0 301.343 0.508 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)C1CCC(=O)CC1 ZINC000709487545 667445095 /nfs/dbraw/zinc/44/50/95/667445095.db2.gz JXOXXNQBWKNANY-GFCCVEGCSA-N 0 0 304.412 0.090 10 0 DCAERN NS(=O)(=O)N1CCN(C(=O)c2cscc2Cl)CC1 ZINC000711518684 667484006 /nfs/dbraw/zinc/48/40/06/667484006.db2.gz KVDBSRVOCQPBIM-UHFFFAOYSA-N 0 0 309.800 0.363 10 0 DCAERN C[C@@H](O)[C@H](O)CNC(=O)c1cc(Br)cnc1F ZINC000717296644 667537853 /nfs/dbraw/zinc/53/78/53/667537853.db2.gz FDJMJUHVYBJSML-SVGQVSJJSA-N 0 0 307.119 0.455 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(C)OCCO1 ZINC000717309222 667554842 /nfs/dbraw/zinc/55/48/42/667554842.db2.gz VJWWBSWGLRYLMZ-NSHDSACASA-N 0 0 320.411 0.070 10 0 DCAERN CN(CC1(CO)CC1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000187223707 667585676 /nfs/dbraw/zinc/58/56/76/667585676.db2.gz XBOHOQPPOJGCFM-UHFFFAOYSA-N 0 0 306.428 0.614 10 0 DCAERN O=C(CN1CCCC2(C1)OCCO2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000136148606 667696978 /nfs/dbraw/zinc/69/69/78/667696978.db2.gz GTPAMBFNVPVAPG-HUUCEWRRSA-N 0 0 324.421 0.995 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)OCc2ccccc2)n1 ZINC000739435580 667702940 /nfs/dbraw/zinc/70/29/40/667702940.db2.gz MDMWHQBHQWQFML-UHFFFAOYSA-N 0 0 302.286 0.773 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2cncn2C)[nH]n1 ZINC000886027673 667725268 /nfs/dbraw/zinc/72/52/68/667725268.db2.gz AHHXYZUUSYULKQ-QMTHXVAHSA-N 0 0 316.365 0.544 10 0 DCAERN Cc1cc(CN2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1F ZINC000886026659 667725407 /nfs/dbraw/zinc/72/54/07/667725407.db2.gz CDYXBUKRQPRMCK-QGZVFWFLSA-N 0 0 321.396 0.896 10 0 DCAERN CO[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1c1cn(C)nn1 ZINC000886071925 667728432 /nfs/dbraw/zinc/72/84/32/667728432.db2.gz IANDUXJUIFOTOA-WCQYABFASA-N 0 0 310.789 0.779 10 0 DCAERN CCN1C(=O)CO[C@@H](CNCc2cocn2)[C@@H]1c1nccn1C ZINC000886074651 667728903 /nfs/dbraw/zinc/72/89/03/667728903.db2.gz KZZWSIMBTHUEKE-GXTWGEPZSA-N 0 0 319.365 0.486 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1cnc(C2CC2)o1 ZINC000886078136 667729283 /nfs/dbraw/zinc/72/92/83/667729283.db2.gz NDLMOCBSAIJYOR-LBPRGKRZSA-N 0 0 307.350 0.542 10 0 DCAERN C[C@@H]1CN(C)C[C@H](c2nc(-c3cnc(N(C)C)cn3)no2)O1 ZINC000886078223 667729435 /nfs/dbraw/zinc/72/94/35/667729435.db2.gz RBUGYLSELRTPGX-MWLCHTKSSA-N 0 0 304.354 0.984 10 0 DCAERN CO[C@H]1CCCCN(CC(=O)NCCc2nccnc2C)C1=O ZINC000886078258 667729742 /nfs/dbraw/zinc/72/97/42/667729742.db2.gz RDNXFTMPGOYCCY-AWEZNQCLSA-N 0 0 320.393 0.471 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2c[nH]nc2C2CCOCC2)C1 ZINC000886082236 667729998 /nfs/dbraw/zinc/72/99/98/667729998.db2.gz NZRXVJHKQQIRIP-GFCCVEGCSA-N 0 0 308.382 0.364 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@](O)(Cc3nncn3C)C2)co1 ZINC000886085054 667730328 /nfs/dbraw/zinc/73/03/28/667730328.db2.gz XVYGKNWDTZKUEN-HNNXBMFYSA-N 0 0 304.350 0.926 10 0 DCAERN CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)C1 ZINC000886088458 667730611 /nfs/dbraw/zinc/73/06/11/667730611.db2.gz HDDNEOVIQQTLKX-LGESCRJUSA-N 0 0 323.393 0.924 10 0 DCAERN CCc1ncc(CN2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000886089048 667730615 /nfs/dbraw/zinc/73/06/15/667730615.db2.gz SONXQZUDTSBHOL-INIZCTEOSA-N 0 0 316.409 0.737 10 0 DCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)Cc1cccnc1C ZINC000886096903 667731460 /nfs/dbraw/zinc/73/14/60/667731460.db2.gz NQGJTOQAOAVFRV-MRXNPFEDSA-N 0 0 305.378 0.686 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)CNC(=O)c1ccccn1 ZINC000740337023 667741642 /nfs/dbraw/zinc/74/16/42/667741642.db2.gz HICIEEPIJQJYPT-UHFFFAOYSA-N 0 0 305.334 0.223 10 0 DCAERN CCOc1ccc(F)c(C(=O)OCCNS(C)(=O)=O)c1N ZINC000741039859 667757344 /nfs/dbraw/zinc/75/73/44/667757344.db2.gz UDFJVFNOQQVMJO-UHFFFAOYSA-N 0 0 320.342 0.513 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](CO)c1ccccc1OC ZINC000741422380 667771065 /nfs/dbraw/zinc/77/10/65/667771065.db2.gz HMOINPJRYHZUJG-QKVFXAPYSA-N 0 0 314.407 0.796 10 0 DCAERN C[C@@H]1C[C@H](NC(=O)C2=COCCC2)C(=O)N1c1cnn(C)c1 ZINC000742914747 667800707 /nfs/dbraw/zinc/80/07/07/667800707.db2.gz ZJACFPOCLQRHAB-MFKMUULPSA-N 0 0 304.350 0.724 10 0 DCAERN O=C(COCc1cccnc1)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000886999396 667831178 /nfs/dbraw/zinc/83/11/78/667831178.db2.gz OXEWXEFUHVFXPD-ZIAGYGMSSA-N 0 0 306.362 0.644 10 0 DCAERN O=C(Nc1cccc(CN2CCOCC2)n1)N[C@@H]1C[C@H]1CO ZINC000889272763 667959155 /nfs/dbraw/zinc/95/91/55/667959155.db2.gz KEDACFMNWPYBCS-WCQYABFASA-N 0 0 306.366 0.416 10 0 DCAERN CC[C@@H]1CCCCCN1C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124930411 668168292 /nfs/dbraw/zinc/16/82/92/668168292.db2.gz HKVYVCXOBQJNJY-CHWSQXEVSA-N 0 0 302.440 0.944 10 0 DCAERN CCC(CC)[C@@H](C(=O)OCCCC(N)=O)N1CCOCC1 ZINC000125127908 668217649 /nfs/dbraw/zinc/21/76/49/668217649.db2.gz YIEVXNRVUPRHIO-AWEZNQCLSA-N 0 0 300.399 0.932 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)NCc1ccc(F)cc1 ZINC000126453007 668597846 /nfs/dbraw/zinc/59/78/46/668597846.db2.gz WYIOUXBYKVDVDV-GFCCVEGCSA-N 0 0 300.355 0.219 10 0 DCAERN Cc1ccccc1[C@H](C)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126674730 668640207 /nfs/dbraw/zinc/64/02/07/668640207.db2.gz RMLVPDOLEMDUBT-STQMWFEESA-N 0 0 310.419 0.949 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccc(F)c(F)c1 ZINC000126698859 668645847 /nfs/dbraw/zinc/64/58/47/668645847.db2.gz NGMFCPYMPCSIOC-JTQLQIEISA-N 0 0 318.345 0.358 10 0 DCAERN Cc1c(F)cccc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126705830 668646670 /nfs/dbraw/zinc/64/66/70/668646670.db2.gz KWKMZSPVFYWKEP-JTQLQIEISA-N 0 0 300.355 0.849 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1nc2ccccc2[nH]1 ZINC000126767876 668656892 /nfs/dbraw/zinc/65/68/92/668656892.db2.gz PJUHFFIGIMHOIM-VIFPVBQESA-N 0 0 308.363 0.278 10 0 DCAERN Cc1cc(F)cc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126842197 668670202 /nfs/dbraw/zinc/67/02/02/668670202.db2.gz NQSLXKQBYHJSFJ-LBPRGKRZSA-N 0 0 300.355 0.849 10 0 DCAERN Cc1cc(F)cc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)c1 ZINC000126841981 668670688 /nfs/dbraw/zinc/67/06/88/668670688.db2.gz NQSLXKQBYHJSFJ-GFCCVEGCSA-N 0 0 300.355 0.849 10 0 DCAERN O=S1(=O)CCC[C@@H]1CN1CCC(Nc2cccnn2)CC1 ZINC000929537271 668700048 /nfs/dbraw/zinc/70/00/48/668700048.db2.gz ODRGPEGSCNQPHY-CYBMUJFWSA-N 0 0 310.423 0.930 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CCNC(=O)C1CCCC1 ZINC000128153098 669148611 /nfs/dbraw/zinc/14/86/11/669148611.db2.gz BVRSJGBGLNLWIB-OAQYLSRUSA-N 0 0 313.427 0.809 10 0 DCAERN CC[C@@](C)(O)CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC000931223868 669160217 /nfs/dbraw/zinc/16/02/17/669160217.db2.gz VYTLCNHPAVYYTI-ZIAGYGMSSA-N 0 0 304.456 0.342 10 0 DCAERN O=S(=O)(/C=C\c1ccc(Cl)cc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000211636574 669347601 /nfs/dbraw/zinc/34/76/01/669347601.db2.gz VWPGWJIXOPLIGR-DLXAAPBESA-N 0 0 303.767 0.678 10 0 DCAERN Cc1cc2nccc(NC(=O)N3CC(N4CCNC4=O)C3)n2n1 ZINC000932449178 669366793 /nfs/dbraw/zinc/36/67/93/669366793.db2.gz DEBCBLBCRNTLOH-UHFFFAOYSA-N 0 0 315.337 0.279 10 0 DCAERN CC[C@H]1CN(CN2C(=O)C(=O)N(C)C2=O)CCN1CC(F)F ZINC000129321310 669419555 /nfs/dbraw/zinc/41/95/55/669419555.db2.gz IZECMCCHWXREQL-VIFPVBQESA-N 0 0 318.324 0.026 10 0 DCAERN O=C(NCCO)C1CCN(c2ncnc3ccccc32)CC1 ZINC000041498708 669823699 /nfs/dbraw/zinc/82/36/99/669823699.db2.gz UGRHVEPLGGURKH-UHFFFAOYSA-N 0 0 300.362 0.955 10 0 DCAERN COc1cccc([C@@H](O)C(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000158977654 669932084 /nfs/dbraw/zinc/93/20/84/669932084.db2.gz GMBYUVRPTJADFJ-IUODEOHRSA-N 0 0 308.378 0.566 10 0 DCAERN Cc1ccc(OC[C@@H](O)CN(C)CCS(C)(=O)=O)cc1 ZINC000076306536 670120020 /nfs/dbraw/zinc/12/00/20/670120020.db2.gz XAWOKWSMGMVBFD-ZDUSSCGKSA-N 0 0 301.408 0.711 10 0 DCAERN COc1ccc2c(c1)C(=O)N(CN(C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000189702477 670147220 /nfs/dbraw/zinc/14/72/20/670147220.db2.gz NLLSYTVASQRAIF-LBPRGKRZSA-N 0 0 324.402 0.727 10 0 DCAERN COc1ccc2c(c1)C(=O)N(CN(C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000189702460 670147532 /nfs/dbraw/zinc/14/75/32/670147532.db2.gz NLLSYTVASQRAIF-GFCCVEGCSA-N 0 0 324.402 0.727 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)Cc1cn(C)nc1Br ZINC000713871640 670171263 /nfs/dbraw/zinc/17/12/63/670171263.db2.gz KGVPBYKRVUSOLZ-QMMMGPOBSA-N 0 0 303.204 0.997 10 0 DCAERN COC(=O)C1(O)CN(Cc2ncc(Br)s2)C1 ZINC000714503746 670190592 /nfs/dbraw/zinc/19/05/92/670190592.db2.gz IUTHSYOGLOQTDG-UHFFFAOYSA-N 0 0 307.169 0.625 10 0 DCAERN CS(=O)(=O)[C@H]1C[C@H](NCc2nc(Br)c[nH]2)C1 ZINC000714243720 670182212 /nfs/dbraw/zinc/18/22/12/670182212.db2.gz HNJZCKBSBLCVQM-LJGSYFOKSA-N 0 0 308.201 0.837 10 0 DCAERN Cc1ccc(C(=O)[N-]S(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000714302173 670183555 /nfs/dbraw/zinc/18/35/55/670183555.db2.gz LUIUJPAVMXODEP-UHFFFAOYSA-N 0 0 301.343 0.014 10 0 DCAERN O=C([N-]S(=O)(=O)N1CC[NH2+]CC1)C1CCC2(CC2)CC1 ZINC000714311837 670184113 /nfs/dbraw/zinc/18/41/13/670184113.db2.gz RYQWHBURRGBXMK-UHFFFAOYSA-N 0 0 301.412 0.223 10 0 DCAERN O=C(NCC[C@@H]1CCCS1(=O)=O)c1cnc(Cl)cn1 ZINC000714360402 670185266 /nfs/dbraw/zinc/18/52/66/670185266.db2.gz IPPWLQOHRBQQSC-QMMMGPOBSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2nc(SC)ncc2Cl)C1 ZINC000714438571 670185425 /nfs/dbraw/zinc/18/54/25/670185425.db2.gz FBVBIHVPZOJHIY-UHFFFAOYSA-N 0 0 317.754 0.212 10 0 DCAERN CCO[C@@H]1C[C@H]1COC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000193123067 670240840 /nfs/dbraw/zinc/24/08/40/670240840.db2.gz WDGBSBFRMZIYGU-GXFFZTMASA-N 0 0 318.329 0.658 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1ncccn1 ZINC000193311487 670265343 /nfs/dbraw/zinc/26/53/43/670265343.db2.gz GBSFBOZHSWOARL-UHFFFAOYSA-N 0 0 301.759 0.997 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1ccn(CC(F)F)n1 ZINC000193667308 670326068 /nfs/dbraw/zinc/32/60/68/670326068.db2.gz FSZJNXDCMQMJAZ-UHFFFAOYSA-N 0 0 300.309 0.891 10 0 DCAERN C[C@@H](O)c1nc2ccccc2n1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000193793623 670349144 /nfs/dbraw/zinc/34/91/44/670349144.db2.gz LNBLJMKYALVMDE-WDEREUQCSA-N 0 0 318.377 0.683 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C(F)F)C1 ZINC000194203986 670412540 /nfs/dbraw/zinc/41/25/40/670412540.db2.gz SUMGLXRFLYLKPZ-IUCAKERBSA-N 0 0 308.350 0.790 10 0 DCAERN COC(=O)c1cn(CN2CCO[C@H](c3nc(C)cs3)C2)nn1 ZINC000195294087 670479263 /nfs/dbraw/zinc/47/92/63/670479263.db2.gz FUUOFUOVKAWAEQ-NSHDSACASA-N 0 0 323.378 0.861 10 0 DCAERN Cc1nn(CN2CCCNC(=O)[C@H]2C)c(=O)c2ccccc12 ZINC000190710131 670482580 /nfs/dbraw/zinc/48/25/80/670482580.db2.gz BFWRMZOCIDYZPS-GFCCVEGCSA-N 0 0 300.362 0.873 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NCC[S@](=O)C(C)(C)C ZINC000112304731 670580406 /nfs/dbraw/zinc/58/04/06/670580406.db2.gz MIXCGWQTCRSYQT-CFMSYZGJSA-N 0 0 320.480 0.961 10 0 DCAERN O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C(F)(F)C1CCOCC1 ZINC000855080328 670677451 /nfs/dbraw/zinc/67/74/51/670677451.db2.gz SWUWSJOFNACPNY-QJPTWQEYSA-N 0 0 315.320 0.736 10 0 DCAERN CCCCCCNC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116887818 671137204 /nfs/dbraw/zinc/13/72/04/671137204.db2.gz IUCKFXSCMQEZLR-GFCCVEGCSA-N 0 0 305.444 0.306 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102290902 671816529 /nfs/dbraw/zinc/81/65/29/671816529.db2.gz SVDIYOVENMEADM-LLVKDONJSA-N 0 0 321.358 0.991 10 0 DCAERN CC(C)OC[C@H](O)CSc1nnc(C(F)(F)F)n1N ZINC000102607534 671834877 /nfs/dbraw/zinc/83/48/77/671834877.db2.gz NYSFFJRCBHTLEX-LURJTMIESA-N 0 0 300.306 0.889 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105816852 672235633 /nfs/dbraw/zinc/23/56/33/672235633.db2.gz NNYHYDMMJKMYJI-BBRMVZONSA-N 0 0 319.405 0.389 10 0 DCAERN CC[C@@H]1[C@@H](CO)CCN1C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000385701569 1158245181 /nfs/dbraw/zinc/24/51/81/1158245181.db2.gz LBXNLOAZXJUGAO-IJLUTSLNSA-N 0 0 321.464 0.526 10 0 DCAERN CC(C)[C@@](C)(CO)NC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000398599671 685274163 /nfs/dbraw/zinc/27/41/63/685274163.db2.gz ZJVXALSIXYIROX-ZYHUDNBSSA-N 0 0 309.453 0.430 10 0 DCAERN O=S(=O)(N[C@H]1CNOC1)c1ccccc1OC(F)(F)F ZINC000722500990 685319704 /nfs/dbraw/zinc/31/97/04/685319704.db2.gz AVJLKWIAVZWFTD-ZETCQYMHSA-N 0 0 312.269 0.767 10 0 DCAERN C#CCN(C(=O)NCC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000091208864 685104307 /nfs/dbraw/zinc/10/43/07/685104307.db2.gz DKQRXDULJMPSGJ-CHWSQXEVSA-N 0 0 314.407 0.387 10 0 DCAERN Nc1nc(NC[C@@H](O)c2ccsc2)nc(C(F)(F)F)n1 ZINC000380110307 685236689 /nfs/dbraw/zinc/23/66/89/685236689.db2.gz IQFFOSITYRVYPB-ZCFIWIBFSA-N 0 0 305.285 0.932 10 0 DCAERN Cn1nnc(Br)c1C(=O)N1CCC[C@@H]1CCCO ZINC000380960061 685237639 /nfs/dbraw/zinc/23/76/39/685237639.db2.gz SMWFHLFXBHTKBI-MRVPVSSYSA-N 0 0 317.187 0.955 10 0 DCAERN C[C@@H]1[C@H](O)CCCN1C(=O)c1c(Br)nnn1C ZINC000384805851 685245566 /nfs/dbraw/zinc/24/55/66/685245566.db2.gz ZMWMMHGHIGPETQ-RNFRBKRXSA-N 0 0 303.160 0.563 10 0 DCAERN Nc1ccc(I)cc1C(=O)NCCO ZINC000306581291 1157736873 /nfs/dbraw/zinc/73/68/73/1157736873.db2.gz ZKSDZDPOUDWQEY-UHFFFAOYSA-N 0 0 306.103 0.596 10 0 DCAERN CNC(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000397464555 1158099939 /nfs/dbraw/zinc/09/99/39/1158099939.db2.gz QFVBCBQCOAFUPL-UHFFFAOYSA-N 0 0 316.770 0.419 10 0 DCAERN CCNc1ncc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1Cl ZINC000398367183 1158117692 /nfs/dbraw/zinc/11/76/92/1158117692.db2.gz OEHXYVBSCRHGIV-ZETCQYMHSA-N 0 0 320.802 0.574 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1C(=O)c1c(Br)nnn1C ZINC000385645618 1158236134 /nfs/dbraw/zinc/23/61/34/1158236134.db2.gz DNQSFGPHTBXKQJ-YUMQZZPRSA-N 0 0 317.187 0.811 10 0 DCAERN O=C(c1coc(Br)c1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388091136 1159128011 /nfs/dbraw/zinc/12/80/11/1159128011.db2.gz NAWYNGGGHONJBJ-KNVOCYPGSA-N 0 0 313.107 0.387 10 0 DCAERN CC(=O)N(CCCNC(=O)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000048313196 1171653667 /nfs/dbraw/zinc/65/36/67/1171653667.db2.gz KIRPFRXIRLEFOI-GFCCVEGCSA-N 0 0 304.412 0.184 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)c2cc(C)oc2C)CC1 ZINC000055448444 1171879099 /nfs/dbraw/zinc/87/90/99/1171879099.db2.gz MJGUIIIXTLWVDK-UHFFFAOYSA-N 0 0 321.377 0.753 10 0 DCAERN CN(C)C(=O)CNC(=O)NCc1ccnc(OCC2CC2)c1 ZINC000067455990 1173773601 /nfs/dbraw/zinc/77/36/01/1173773601.db2.gz ARNIDLYKGIYPIS-UHFFFAOYSA-N 0 0 306.366 0.758 10 0 DCAERN CN(Cc1nc[nH]n1)C(=O)CNC(=O)c1ccccc1Cl ZINC000080523292 1174477012 /nfs/dbraw/zinc/47/70/12/1174477012.db2.gz URXGNYJRGNSUMX-UHFFFAOYSA-N 0 0 307.741 0.847 10 0 DCAERN CO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000087899429 1175226844 /nfs/dbraw/zinc/22/68/44/1175226844.db2.gz FPVSBHWZZVOKIG-NXEZZACHSA-N 0 0 318.420 0.622 10 0 DCAERN CCOc1n[nH]c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000228770805 1180399043 /nfs/dbraw/zinc/39/90/43/1180399043.db2.gz XMYRRYUSKASMGK-MADCSZMMSA-N 0 0 311.367 0.596 10 0 DCAERN Cc1noc(C)c1[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC000152416750 1180544491 /nfs/dbraw/zinc/54/44/91/1180544491.db2.gz ZEYCSCRNHFVVKT-GMSGAONNSA-N 0 0 308.338 0.499 10 0 DCAERN CN(C)S(=O)(=O)CCNC(=O)c1cc(F)c(F)cc1N ZINC000230978928 1180554542 /nfs/dbraw/zinc/55/45/42/1180554542.db2.gz BGMBPWJYVUUWSG-UHFFFAOYSA-N 0 0 307.322 0.168 10 0 DCAERN CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H](C)CS(C)(=O)=O ZINC000155863030 1180555816 /nfs/dbraw/zinc/55/58/16/1180555816.db2.gz UHILTJZCFSIZMC-MRVPVSSYSA-N 0 0 315.395 0.282 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2cc(C)[nH]n2)CC1 ZINC000158137758 1180562826 /nfs/dbraw/zinc/56/28/26/1180562826.db2.gz SLXPFQHKGIFNLF-UHFFFAOYSA-N 0 0 308.382 0.404 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)c2ccc(=O)n(C)c2)CC1 ZINC000158218363 1180562952 /nfs/dbraw/zinc/56/29/52/1180562952.db2.gz LHUCGCJSKLMVJU-UHFFFAOYSA-N 0 0 321.377 0.143 10 0 DCAERN NC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2N)C1 ZINC000236273991 1180567523 /nfs/dbraw/zinc/56/75/23/1180567523.db2.gz NBZQUSMQHSGPEB-ZETCQYMHSA-N 0 0 312.167 0.979 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000176942738 1184224481 /nfs/dbraw/zinc/22/44/81/1184224481.db2.gz WWDOWFZVRJMAPQ-CABCVRRESA-N 0 0 316.361 0.838 10 0 DCAERN CCC[C@H]1C(=O)NCCN1C(=O)Cn1nnc2ccccc21 ZINC000179390148 1185165192 /nfs/dbraw/zinc/16/51/92/1185165192.db2.gz CYLXLBVDOKZMSH-ZDUSSCGKSA-N 0 0 301.350 0.558 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2ccn(C)n2)CC1 ZINC000183733984 1185194682 /nfs/dbraw/zinc/19/46/82/1185194682.db2.gz ALPRUONTSCXLHJ-UHFFFAOYSA-N 0 0 308.382 0.106 10 0 DCAERN CC(C)C[C@@H](CO)N(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000185347988 1187270761 /nfs/dbraw/zinc/27/07/61/1187270761.db2.gz MEBQQQDSDAVFNZ-JTQLQIEISA-N 0 0 305.400 0.453 10 0 DCAERN COC[C@@H]1CN(C(=O)Cn2nnc3ccccc32)C[C@@H](C)O1 ZINC000188326053 1187629212 /nfs/dbraw/zinc/62/92/12/1187629212.db2.gz SLYDIRAZBKLNGL-NEPJUHHUSA-N 0 0 304.350 0.694 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307892521 1190384390 /nfs/dbraw/zinc/38/43/90/1190384390.db2.gz KVTAOLYQAZOZKH-GFCCVEGCSA-N 0 0 300.380 0.419 10 0 DCAERN CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1N)[C@H](C)O ZINC000307908445 1190385044 /nfs/dbraw/zinc/38/50/44/1190385044.db2.gz BJMKQJBSLLVMBZ-UFBFGSQYSA-N 0 0 300.380 0.562 10 0 DCAERN COCC[C@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307910096 1190386056 /nfs/dbraw/zinc/38/60/56/1190386056.db2.gz YLNYPZPVSSTZPT-VIFPVBQESA-N 0 0 300.380 0.827 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)NCCOCCO ZINC000310847182 1190390169 /nfs/dbraw/zinc/39/01/69/1190390169.db2.gz KURPDOQHBHZARO-UHFFFAOYSA-N 0 0 321.146 0.909 10 0 DCAERN C[C@H]1CS(=O)(=O)CCN1c1nc(N)nc(C(F)(F)F)n1 ZINC000312781113 1190395220 /nfs/dbraw/zinc/39/52/20/1190395220.db2.gz FVWQAHQWQUNJTN-YFKPBYRVSA-N 0 0 311.289 0.096 10 0 DCAERN COC1(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC1 ZINC000380195233 1190699013 /nfs/dbraw/zinc/69/90/13/1190699013.db2.gz ZMLZWKXGWGZMPA-SECBINFHSA-N 0 0 318.361 0.967 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2N)CC(=O)N1 ZINC000387303340 1190700121 /nfs/dbraw/zinc/70/01/21/1190700121.db2.gz PEUYDANWPYQCSC-SSDOTTSWSA-N 0 0 312.167 0.992 10 0 DCAERN OCC(CO)NCc1ccccc1I ZINC000389317983 1190700202 /nfs/dbraw/zinc/70/02/02/1190700202.db2.gz QVMJNGZIHGZSPV-UHFFFAOYSA-N 0 0 307.131 0.734 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)NCCc2ccnn2C)c1 ZINC000588458507 747314219 /nfs/dbraw/zinc/31/42/19/747314219.db2.gz JMRDGONVUYOONZ-ARJAWSKDSA-N 0 0 313.361 0.547 10 0 DCAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000588527097 747404028 /nfs/dbraw/zinc/40/40/28/747404028.db2.gz OERCKKAXMUYHPM-WYGGZMRJSA-N 0 0 316.361 0.144 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)CC1(CO)CC1 ZINC000588544986 747425119 /nfs/dbraw/zinc/42/51/19/747425119.db2.gz YEWYPPQWVQLCHR-LBPRGKRZSA-N 0 0 306.410 0.919 10 0 DCAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1C[C@@H](C)O[C@H](CO)C1 ZINC000588560164 747443110 /nfs/dbraw/zinc/44/31/10/747443110.db2.gz JQUZALSFGNQGHZ-BZPMIXESSA-N 0 0 322.409 0.296 10 0 DCAERN CS(=O)(=O)NC1CCN(C(=O)c2cc(F)ccc2N)CC1 ZINC000037805697 768574432 /nfs/dbraw/zinc/57/44/32/768574432.db2.gz ATZVELLGECUBRG-UHFFFAOYSA-N 0 0 315.370 0.562 10 0 DCAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000245705739 770781377 /nfs/dbraw/zinc/78/13/77/770781377.db2.gz XNNSIBXFGDRRRA-PVAVHDDUSA-N 0 0 318.417 0.908 10 0 DCAERN Cc1c(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cnn1C ZINC000176630675 773872396 /nfs/dbraw/zinc/87/23/96/773872396.db2.gz BECHYGDAAKXKDP-QYJAPNMZSA-N 0 0 306.366 0.286 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000401877034 774069330 /nfs/dbraw/zinc/06/93/30/774069330.db2.gz FSJJHUHBRJIYEU-LBPRGKRZSA-N 0 0 303.384 0.189 10 0 DCAERN CCOC(CC(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1)OCC ZINC000407364907 774255459 /nfs/dbraw/zinc/25/54/59/774255459.db2.gz RVPQJWDCNDUNED-GHMZBOCLSA-N 0 0 307.412 0.810 10 0 DCAERN COC[C@H](CO)NC(=O)c1cc(F)c(Br)cc1N ZINC000310883595 774383918 /nfs/dbraw/zinc/38/39/18/774383918.db2.gz VSUWSYJMMZZNIT-LURJTMIESA-N 0 0 321.146 0.908 10 0 DCAERN O=C(N[C@@H]1CNOC1)c1csc(I)c1 ZINC000722479346 945149654 /nfs/dbraw/zinc/14/96/54/945149654.db2.gz ZYYOSSCYMKKSPT-ZCFIWIBFSA-N 0 0 324.143 0.986 10 0 DCAERN COCCCCN(C)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000397393380 939128996 /nfs/dbraw/zinc/12/89/96/939128996.db2.gz YWHFCJGMUHVVFM-UHFFFAOYSA-N 0 0 320.436 0.823 10 0 DCAERN C[C@@]1(C(=O)[O-])CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000690819725 976338315 /nfs/dbraw/zinc/33/83/15/976338315.db2.gz WPTQGYVHCWPRCT-WCQYABFASA-N 0 0 304.412 0.455 10 0 DCAERN CN(CC[N@H+](C)CCO)C(=O)c1ccsc1CC(=O)[O-] ZINC000691247357 976350252 /nfs/dbraw/zinc/35/02/52/976350252.db2.gz RDSTYBLELIZDEI-UHFFFAOYSA-N 0 0 300.380 0.371 10 0 DCAERN C[N@H+]1CC=C(CNS(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694148687 976669148 /nfs/dbraw/zinc/66/91/48/976669148.db2.gz NYWIDXVCQMYDJI-UHFFFAOYSA-N 0 0 300.336 0.518 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000076632067 185027611 /nfs/dbraw/zinc/02/76/11/185027611.db2.gz FFXARUFGOGPFQZ-LLVKDONJSA-N 0 0 322.390 0.426 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000076949759 185060496 /nfs/dbraw/zinc/06/04/96/185060496.db2.gz CLWHKZPPDJTHBE-ZDUSSCGKSA-N 0 0 317.455 0.449 10 0 DCAERN COCCCNS(=O)(=O)c1ccc2c(c1)N(C)CCO2 ZINC000015674705 536589925 /nfs/dbraw/zinc/58/99/25/536589925.db2.gz LETYCQYFJUCBNJ-UHFFFAOYSA-N 0 0 300.380 0.830 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000082976444 185210135 /nfs/dbraw/zinc/21/01/35/185210135.db2.gz RDBRZHGRMOOHAJ-MNOVXSKESA-N 0 0 308.386 0.765 10 0 DCAERN CNS(=O)(=O)CC(=O)N(C)CCOc1ccc(C)cc1 ZINC000083066209 185212525 /nfs/dbraw/zinc/21/25/25/185212525.db2.gz REEISMRRUMUESU-UHFFFAOYSA-N 0 0 300.380 0.381 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CC2CCC2)n1 ZINC000328628316 231262255 /nfs/dbraw/zinc/26/22/55/231262255.db2.gz NOKQTAIOOKBHJC-WDEREUQCSA-N 0 0 301.368 0.616 10 0 DCAERN CCn1cncc1S(=O)(=O)N1CCC[C@@H](C(=O)NC)C1 ZINC000408397052 529595453 /nfs/dbraw/zinc/59/54/53/529595453.db2.gz SDXSSCUTGPBCMN-SNVBAGLBSA-N 0 0 300.384 0.050 10 0 DCAERN Nc1nc2ncn(CCC[C@H](O)c3cccnc3)c2c(=O)[nH]1 ZINC000090696984 185309998 /nfs/dbraw/zinc/30/99/98/185309998.db2.gz JOBIVXBJHZSKJO-JTQLQIEISA-N 0 0 300.322 0.611 10 0 DCAERN COc1cccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1F ZINC000090634442 185307585 /nfs/dbraw/zinc/30/75/85/185307585.db2.gz JKTJEDIFKYRTSZ-VIFPVBQESA-N 0 0 316.354 0.598 10 0 DCAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000286615098 219083582 /nfs/dbraw/zinc/08/35/82/219083582.db2.gz CBJWZCJVCXEDTF-YRGRVCCFSA-N 0 0 320.393 0.670 10 0 DCAERN Cc1ccccc1CS(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181412884 199293239 /nfs/dbraw/zinc/29/32/39/199293239.db2.gz CUMICRWZLUSGIS-NWDGAFQWSA-N 0 0 304.389 0.068 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCN(CC3CC3)CC2)c1 ZINC000097000832 185396134 /nfs/dbraw/zinc/39/61/34/185396134.db2.gz YIWDFDLTUYALQU-UHFFFAOYSA-N 0 0 323.418 0.502 10 0 DCAERN CNC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)sc2C)CCO1 ZINC000181503505 199308253 /nfs/dbraw/zinc/30/82/53/199308253.db2.gz OHNLSXDPPXXAQX-SNVBAGLBSA-N 0 0 318.420 0.500 10 0 DCAERN CN1CCO[C@@H](CN(CC2CC2)C(=O)CCc2nnc[nH]2)C1 ZINC000328644112 529782746 /nfs/dbraw/zinc/78/27/46/529782746.db2.gz RSDOMXSJPNDCSR-CYBMUJFWSA-N 0 0 307.398 0.307 10 0 DCAERN O=S(=O)(c1ccnc(N2CCC[C@@H]2CO)c1)N1CCCC1 ZINC000279321467 214792073 /nfs/dbraw/zinc/79/20/73/214792073.db2.gz GFCLDKLUPUKWEI-GFCCVEGCSA-N 0 0 311.407 0.827 10 0 DCAERN CN(CC1(CO)CC1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000188316900 529854483 /nfs/dbraw/zinc/85/44/83/529854483.db2.gz ZYINPGQEBFRURC-UHFFFAOYSA-N 0 0 302.338 0.899 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)Cn2c3ccccc3nc2CO)C1 ZINC000097150590 185416289 /nfs/dbraw/zinc/41/62/89/185416289.db2.gz LRHSSZNJZRUBMQ-LLVKDONJSA-N 0 0 316.361 0.253 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)C(C)C ZINC000179758453 529897968 /nfs/dbraw/zinc/89/79/68/529897968.db2.gz QYLAGYZSSRGKMO-FZMZJTMJSA-N 0 0 308.378 0.833 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000171488620 529901785 /nfs/dbraw/zinc/90/17/85/529901785.db2.gz BHNSGQHBDUGBFG-LBPRGKRZSA-N 0 0 310.398 0.355 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000154957323 529902408 /nfs/dbraw/zinc/90/24/08/529902408.db2.gz GFTVFVWXIFDOIC-LBPRGKRZSA-N 0 0 312.414 0.017 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000171838281 529904199 /nfs/dbraw/zinc/90/41/99/529904199.db2.gz KCFGAATZEKVHLG-MFKMUULPSA-N 0 0 324.402 0.909 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000089755949 295714918 /nfs/dbraw/zinc/71/49/18/295714918.db2.gz GIIGVPOQFVSYPL-MWLCHTKSSA-N 0 0 308.721 0.565 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(F)cc1F ZINC000106918822 185463609 /nfs/dbraw/zinc/46/36/09/185463609.db2.gz NXJCBFMEIYAGBL-QMMMGPOBSA-N 0 0 322.333 0.398 10 0 DCAERN CNS(=O)(=O)c1ccc(N2CC[C@H](C)[C@H](O)C2)c(F)c1 ZINC000301956483 530030683 /nfs/dbraw/zinc/03/06/83/530030683.db2.gz LXOKDRUAQUBMMK-TVQRCGJNSA-N 0 0 302.371 0.941 10 0 DCAERN CN1C(=O)Cc2cc(NC(=O)CNC(=O)c3ccccn3)ccc21 ZINC000194608294 530045293 /nfs/dbraw/zinc/04/52/93/530045293.db2.gz VZUXLNYDPYLRID-UHFFFAOYSA-N 0 0 324.340 0.969 10 0 DCAERN CCC1(CC)CN(S(=O)(=O)N2CCCC2)CC[S@@]1=O ZINC000408271258 282375956 /nfs/dbraw/zinc/37/59/56/282375956.db2.gz VKNSKWVJWIATPT-GOSISDBHSA-N 0 0 308.469 0.950 10 0 DCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCC1(O)CCCC1 ZINC000234576568 201904368 /nfs/dbraw/zinc/90/43/68/201904368.db2.gz AFVMONAWQLDLBN-QWRGUYRKSA-N 0 0 305.396 0.553 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000408357425 290806773 /nfs/dbraw/zinc/80/67/73/290806773.db2.gz WOOJZEYDYHAYMS-UWVGGRQHSA-N 0 0 312.395 0.045 10 0 DCAERN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(C2CC2)CC1 ZINC000182003362 199373264 /nfs/dbraw/zinc/37/32/64/199373264.db2.gz PAMVPROKXJEGSU-LBPRGKRZSA-N 0 0 306.410 0.487 10 0 DCAERN O=C(c1c(F)cccc1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000083856730 192388144 /nfs/dbraw/zinc/38/81/44/192388144.db2.gz QABQVTNHTLKMPR-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN CCc1nsc(N2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000175684849 186188633 /nfs/dbraw/zinc/18/86/33/186188633.db2.gz IFZOSZFIMUBSME-JTQLQIEISA-N 0 0 323.422 0.275 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000179686987 186205550 /nfs/dbraw/zinc/20/55/50/186205550.db2.gz DWLHDVUAXSMOKI-VIFPVBQESA-N 0 0 322.745 0.354 10 0 DCAERN Cn1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1=O ZINC000264252057 186328010 /nfs/dbraw/zinc/32/80/10/186328010.db2.gz RFIGXZGHTISZOX-CYBMUJFWSA-N 0 0 317.389 0.764 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCCOC1 ZINC000171682659 197965824 /nfs/dbraw/zinc/96/58/24/197965824.db2.gz SJEPQUHQIXXAAK-JTQLQIEISA-N 0 0 315.167 0.906 10 0 DCAERN CCNS(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000171953052 198014010 /nfs/dbraw/zinc/01/40/10/198014010.db2.gz NOOCNUWTDAYYTG-CYBMUJFWSA-N 0 0 314.407 0.852 10 0 DCAERN CCNS(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000171951477 198014307 /nfs/dbraw/zinc/01/43/07/198014307.db2.gz GMPOTNSNLBWTBM-SECBINFHSA-N 0 0 306.409 0.595 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)NC[C@@H]1CN(C)CCO1)CC2 ZINC000172308428 198077310 /nfs/dbraw/zinc/07/73/10/198077310.db2.gz XKULZMMPDPMVMI-CQSZACIVSA-N 0 0 317.389 0.331 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@H](O)C1CCCCC1 ZINC000172403764 198092151 /nfs/dbraw/zinc/09/21/51/198092151.db2.gz XHIGJJSFKRJAQG-AWEZNQCLSA-N 0 0 305.378 0.869 10 0 DCAERN CCNS(=O)(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000172457148 198098990 /nfs/dbraw/zinc/09/89/90/198098990.db2.gz UNRSZPQUUBWDJI-UHFFFAOYSA-N 0 0 304.441 0.423 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)N1CCOCC1 ZINC000172541603 198112700 /nfs/dbraw/zinc/11/27/00/198112700.db2.gz KCCUMGDHIUNHPL-OLZOCXBDSA-N 0 0 320.393 0.037 10 0 DCAERN COC(=O)c1cc2c(=O)[nH]c(N3CCOCC3)nc2nc1C ZINC000072416820 191156163 /nfs/dbraw/zinc/15/61/63/191156163.db2.gz AOGAYJVNOHVYKT-UHFFFAOYSA-N 0 0 304.306 0.662 10 0 DCAERN CCc1nc2n(n1)CC(C(=O)N1CCN(CC)CC1)=C(C)N2 ZINC000072466264 191173788 /nfs/dbraw/zinc/17/37/88/191173788.db2.gz KPEJRSPAHMHBFO-UHFFFAOYSA-N 0 0 304.398 0.704 10 0 DCAERN CCSc1nc2n(n1)CC(C(=O)N1CCN(C)CC1)=C(C)N2 ZINC000072466299 191173915 /nfs/dbraw/zinc/17/39/15/191173915.db2.gz LDGFVCAVOXBZCR-UHFFFAOYSA-N 0 0 322.438 0.864 10 0 DCAERN C[C@H](C(=O)NCC(F)(F)F)N1CCC(C(=O)N(C)C)CC1 ZINC000072554089 191192326 /nfs/dbraw/zinc/19/23/26/191192326.db2.gz WKPSCJFKPPJFQK-SECBINFHSA-N 0 0 309.332 0.854 10 0 DCAERN CN(CCS(C)(=O)=O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172777819 198148893 /nfs/dbraw/zinc/14/88/93/198148893.db2.gz QDOXDOURXKOEGB-ZDUSSCGKSA-N 0 0 312.391 0.988 10 0 DCAERN CN(C)C(=O)CNC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000173450410 198216977 /nfs/dbraw/zinc/21/69/77/198216977.db2.gz ZVIVMBIDZXEEIA-ZDUSSCGKSA-N 0 0 318.377 0.522 10 0 DCAERN C[C@@H](C(=O)NCc1ccnn1C)n1nnc(-c2ccccc2)n1 ZINC000173384730 198208781 /nfs/dbraw/zinc/20/87/81/198208781.db2.gz YVKOUINLBAHSCM-NSHDSACASA-N 0 0 311.349 0.951 10 0 DCAERN Cc1nc(CNC(=O)N2CCN(c3ccccn3)CC2)no1 ZINC000173564161 198228138 /nfs/dbraw/zinc/22/81/38/198228138.db2.gz ZZLURBGQVZDGTQ-UHFFFAOYSA-N 0 0 302.338 0.805 10 0 DCAERN CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173565457 198228342 /nfs/dbraw/zinc/22/83/42/198228342.db2.gz IHKZRZLRKGPVEP-VXGBXAGGSA-N 0 0 323.397 0.294 10 0 DCAERN CN(C)C(=O)CN(C)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000173696220 198241596 /nfs/dbraw/zinc/24/15/96/198241596.db2.gz WJWMVHNJSBEICJ-WFASDCNBSA-N 0 0 318.377 0.148 10 0 DCAERN COC[C@@H]1CN(C(=O)NCc2ccc(CO)c(F)c2)CCO1 ZINC000174514927 198345126 /nfs/dbraw/zinc/34/51/26/198345126.db2.gz CCEPYWRXHTUTTB-ZDUSSCGKSA-N 0 0 312.341 0.875 10 0 DCAERN COCC[C@@](C)(O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000174863999 198394387 /nfs/dbraw/zinc/39/43/87/198394387.db2.gz ZHZCIAGTYBGJRS-MRXNPFEDSA-N 0 0 319.361 0.300 10 0 DCAERN CCOCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000175379573 198468055 /nfs/dbraw/zinc/46/80/55/198468055.db2.gz BVAXMMULBHLUQF-LBPRGKRZSA-N 0 0 323.397 0.560 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCCCC[C@H]1O ZINC000252846493 291013458 /nfs/dbraw/zinc/01/34/58/291013458.db2.gz CQMHRWMNQZZYGW-GHMZBOCLSA-N 0 0 308.400 0.009 10 0 DCAERN COCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000080659428 192179976 /nfs/dbraw/zinc/17/99/76/192179976.db2.gz ZLNYTRAXAVUCPB-GFCCVEGCSA-N 0 0 323.397 0.560 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)NCc2nccs2)CC1 ZINC000074880629 191378087 /nfs/dbraw/zinc/37/80/87/191378087.db2.gz DYJGCRSHYJQECA-UHFFFAOYSA-N 0 0 303.409 0.431 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1)NCC1CC1 ZINC000183781717 199642622 /nfs/dbraw/zinc/64/26/22/199642622.db2.gz XNGIIPGJHJWCBK-CYBMUJFWSA-N 0 0 320.397 0.226 10 0 DCAERN NC(=O)c1ccc(S(=O)(=O)N2CCCSCC2)cc1 ZINC000075789029 191518524 /nfs/dbraw/zinc/51/85/24/191518524.db2.gz BITSOKMSNHXHQM-UHFFFAOYSA-N 0 0 300.405 0.913 10 0 DCAERN CCc1cnc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)s1 ZINC000081473193 192271492 /nfs/dbraw/zinc/27/14/92/192271492.db2.gz IZAXYHMBHFTYGM-UHFFFAOYSA-N 0 0 310.379 0.652 10 0 DCAERN CN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CC1=O ZINC000408065342 283229663 /nfs/dbraw/zinc/22/96/63/283229663.db2.gz YODMAXSGMRFUPL-MRVWCRGKSA-N 0 0 306.337 0.938 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)NCCCc1ccccn1 ZINC000178912300 198952892 /nfs/dbraw/zinc/95/28/92/198952892.db2.gz VDUWOCGBMLCDHS-LLVKDONJSA-N 0 0 300.380 0.743 10 0 DCAERN COc1cccc(-c2nnc(S[C@@H]3CCNC3=O)n2N)c1 ZINC000179094023 198981878 /nfs/dbraw/zinc/98/18/78/198981878.db2.gz XNOKZOJMPWJGJM-SNVBAGLBSA-N 0 0 305.363 0.648 10 0 DCAERN Cc1ccc(OCCN(C)C(=O)Cn2ncn(C)c2=O)cc1 ZINC000179399530 199029001 /nfs/dbraw/zinc/02/90/01/199029001.db2.gz VKPPCEUBQMWKCJ-UHFFFAOYSA-N 0 0 304.350 0.428 10 0 DCAERN CNC(=O)[C@H]1CN(C[C@H](O)COCc2ccccc2)CCO1 ZINC000180241221 199134999 /nfs/dbraw/zinc/13/49/99/199134999.db2.gz INOCFXSWUMUPBQ-LSDHHAIUSA-N 0 0 308.378 0.011 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@H](C)c2cnn(C)c2)C1 ZINC000180401264 199154361 /nfs/dbraw/zinc/15/43/61/199154361.db2.gz ZIKBRTLHEXVGFL-DOMZBBRYSA-N 0 0 321.425 0.540 10 0 DCAERN CCCc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n(C)n1 ZINC000180708276 199199882 /nfs/dbraw/zinc/19/98/82/199199882.db2.gz ZOLJCBYPQMYOAY-DGCLKSJQSA-N 0 0 322.409 0.978 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2(CCO)CCC2)C[C@H](C)O1 ZINC000127331799 236965079 /nfs/dbraw/zinc/96/50/79/236965079.db2.gz HSJQXCYMSSTBGQ-TXEJJXNPSA-N 0 0 306.428 0.483 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C2CCC(CO)CC2)[C@H](C)CO1 ZINC000152038854 237003809 /nfs/dbraw/zinc/00/38/09/237003809.db2.gz NSBOGEBMECPJKF-IWMBGFJWSA-N 0 0 320.455 0.823 10 0 DCAERN Cc1nnc([C@H]2CN(Cc3nsc(N(C)C)n3)CCO2)[nH]1 ZINC000154015933 237023700 /nfs/dbraw/zinc/02/37/00/237023700.db2.gz XEXDPZSDCUUTCK-SECBINFHSA-N 0 0 309.399 0.604 10 0 DCAERN CO[C@H](CNC(=O)N1CCS(=O)(=O)[C@H](C)C1)C(C)(C)C ZINC000174411224 237173026 /nfs/dbraw/zinc/17/30/26/237173026.db2.gz BGTQAVUONRAYMN-GHMZBOCLSA-N 0 0 306.428 0.876 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NCCn2cccc2)cc1 ZINC000176338052 237197216 /nfs/dbraw/zinc/19/72/16/237197216.db2.gz XCPNJWUUFTUFIB-UHFFFAOYSA-N 0 0 322.390 0.635 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1CO ZINC000179620289 237247249 /nfs/dbraw/zinc/24/72/49/237247249.db2.gz MNZCWHOLWGPCSW-QGZVFWFLSA-N 0 0 317.433 0.788 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](OCCO)C2)C1 ZINC000178725379 237234570 /nfs/dbraw/zinc/23/45/70/237234570.db2.gz YTSCWWWBOGMVEQ-OLZOCXBDSA-N 0 0 306.428 0.436 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)C[C@H](C)O1 ZINC000178917643 237241213 /nfs/dbraw/zinc/24/12/13/237241213.db2.gz HIRGPNYCXKTOEN-YVECIDJPSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@H]1CCCCN(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000184399762 237285207 /nfs/dbraw/zinc/28/52/07/237285207.db2.gz QHTDWCWIQABRGD-NSHDSACASA-N 0 0 303.366 0.779 10 0 DCAERN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000185481069 237299186 /nfs/dbraw/zinc/29/91/86/237299186.db2.gz NNYALPHBPZISNP-RYUDHWBXSA-N 0 0 324.468 0.330 10 0 DCAERN C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCN1CCO ZINC000187128026 237338439 /nfs/dbraw/zinc/33/84/39/237338439.db2.gz ZNHHXDROALOQSU-NSHDSACASA-N 0 0 316.361 0.062 10 0 DCAERN COCCOc1ccccc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000188774889 237381490 /nfs/dbraw/zinc/38/14/90/237381490.db2.gz UFNCDFHPMCTCIH-CQSZACIVSA-N 0 0 322.405 0.850 10 0 DCAERN Cc1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)ccc1C(N)=O ZINC000188887977 237382402 /nfs/dbraw/zinc/38/24/02/237382402.db2.gz ZARAGMRAMMJMHY-LBPRGKRZSA-N 0 0 320.393 0.624 10 0 DCAERN CO[C@@H](C)CNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000189089794 237385947 /nfs/dbraw/zinc/38/59/47/237385947.db2.gz OOVDCXHRAOXZED-HNNXBMFYSA-N 0 0 305.422 0.955 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000194004439 237492827 /nfs/dbraw/zinc/49/28/27/237492827.db2.gz PGFXRZPMOLMPLW-YPMHNXCESA-N 0 0 318.377 0.629 10 0 DCAERN COC(=O)[C@@H]1CSCN1S(=O)(=O)c1c(C)noc1C ZINC000281141215 216106957 /nfs/dbraw/zinc/10/69/57/216106957.db2.gz JSIGCRFFHUVMHZ-QMMMGPOBSA-N 0 0 306.365 0.528 10 0 DCAERN CC[C@H]1CN(CC(=O)N2CCOCC2)CCN1CC(F)F ZINC000153623132 291207835 /nfs/dbraw/zinc/20/78/35/291207835.db2.gz ZIJPCXKGBVJAPB-LBPRGKRZSA-N 0 0 305.369 0.507 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCN1CCO ZINC000188721130 200293945 /nfs/dbraw/zinc/29/39/45/200293945.db2.gz OXENEZPRRJHOIY-JTQLQIEISA-N 0 0 320.361 0.652 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1CCO ZINC000188730488 200295253 /nfs/dbraw/zinc/29/52/53/200295253.db2.gz QXZXQOQLFQRUIY-LLVKDONJSA-N 0 0 302.371 0.513 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1CCO ZINC000188726828 200295686 /nfs/dbraw/zinc/29/56/86/200295686.db2.gz KFZJIDJBLGWTSL-GFCCVEGCSA-N 0 0 316.398 0.654 10 0 DCAERN COc1ccccc1S(=O)(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188730653 200296208 /nfs/dbraw/zinc/29/62/08/200296208.db2.gz ICIUJRXDHJRSNL-LBPRGKRZSA-N 0 0 314.407 0.382 10 0 DCAERN Cn1cc(CNC(=O)[C@H]2CCNC(=O)C2)c(C(F)(F)F)n1 ZINC000153991225 291209741 /nfs/dbraw/zinc/20/97/41/291209741.db2.gz SJEMNKASRBQVAD-ZETCQYMHSA-N 0 0 304.272 0.581 10 0 DCAERN Cc1nc(C(=O)N[C@@H](C)c2nnc3ccccn32)c(=O)[nH]c1C ZINC000154064333 291210329 /nfs/dbraw/zinc/21/03/29/291210329.db2.gz LFMOUACACUGOQU-JTQLQIEISA-N 0 0 312.333 0.920 10 0 DCAERN COC(=O)[C@@H](O)CNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000154284887 291212411 /nfs/dbraw/zinc/21/24/11/291212411.db2.gz QLKWBELUPAFKBZ-LBPRGKRZSA-N 0 0 323.736 0.789 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)Nc1cnc(N(C)C)nc1 ZINC000155227979 291218744 /nfs/dbraw/zinc/21/87/44/291218744.db2.gz IENUWQPZOYBFIH-UHFFFAOYSA-N 0 0 308.386 0.826 10 0 DCAERN COc1ccc2c(c1)ncn(C[C@@H](O)CN1CCOCC1)c2=O ZINC000156807624 291225772 /nfs/dbraw/zinc/22/57/72/291225772.db2.gz QAGSMNMQLWPHQI-LBPRGKRZSA-N 0 0 319.361 0.098 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN(C)CCc1ncc(C)s1 ZINC000157422161 291228555 /nfs/dbraw/zinc/22/85/55/291228555.db2.gz OXVAFOIGSVLQOU-UHFFFAOYSA-N 0 0 313.423 0.947 10 0 DCAERN O=C(C1=COCCC1)N1CCN(c2cncc3ncnn32)CC1 ZINC000275748163 238313279 /nfs/dbraw/zinc/31/32/79/238313279.db2.gz QQFJRZMUMPYODB-UHFFFAOYSA-N 0 0 314.349 0.467 10 0 DCAERN O=C(C/C=C\c1ccc(F)cc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000427689389 291260841 /nfs/dbraw/zinc/26/08/41/291260841.db2.gz CNSJIHMJJSGSRQ-FYDYADQUSA-N 0 0 317.320 0.992 10 0 DCAERN CN(C)C(=O)N1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC000566043310 291265051 /nfs/dbraw/zinc/26/50/51/291265051.db2.gz MVOPOIOCBWTLSC-UHFFFAOYSA-N 0 0 302.338 0.169 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC000333149585 283657088 /nfs/dbraw/zinc/65/70/88/283657088.db2.gz FCIXGZBZQRQFQC-MROQNXINSA-N 0 0 316.423 0.773 10 0 DCAERN CCCN1c2ccccc2/C(=c2/sc3ncnn3c2=O)C1=O ZINC000006636171 181363085 /nfs/dbraw/zinc/36/30/85/181363085.db2.gz LTLVGMHGVMBFTJ-QXMHVHEDSA-N 0 0 312.354 0.826 10 0 DCAERN Cn1cc(-c2nnc(N3CCNC(=O)C3)n2C)c2ccccc21 ZINC000566843495 291325667 /nfs/dbraw/zinc/32/56/67/291325667.db2.gz MQTMFCZJVNXVIG-UHFFFAOYSA-N 0 0 310.361 0.910 10 0 DCAERN NS(=O)(=O)c1ccc(S(=O)(=O)c2cccnc2)s1 ZINC000211828056 201442610 /nfs/dbraw/zinc/44/26/10/201442610.db2.gz BSLMVABRUALGMT-UHFFFAOYSA-N 0 0 304.374 0.623 10 0 DCAERN Cc1cc(CNC(=O)C2CCN(CC(N)=O)CC2)cc(C)n1 ZINC000091678327 193090651 /nfs/dbraw/zinc/09/06/51/193090651.db2.gz YVZYSUNAWPBGNY-UHFFFAOYSA-N 0 0 304.394 0.512 10 0 DCAERN Cc1cc(OCC(=O)N2CCOC[C@H]2C(N)=O)ccc1Cl ZINC000091783538 193107965 /nfs/dbraw/zinc/10/79/65/193107965.db2.gz KRLYWNQZAXUMNW-LBPRGKRZSA-N 0 0 312.753 0.740 10 0 DCAERN COCCN1CCN(Cc2ccc(F)cc2C(=O)OC)CC1=O ZINC000091833852 193115171 /nfs/dbraw/zinc/11/51/71/193115171.db2.gz QMWAPMCDCWLDMN-UHFFFAOYSA-N 0 0 324.352 0.903 10 0 DCAERN Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457882697 241046631 /nfs/dbraw/zinc/04/66/31/241046631.db2.gz NCKIXZBWPJKCSZ-UKRRQHHQSA-N 0 0 317.393 0.878 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCn3nncc3C2)cc1 ZINC000568199240 291410676 /nfs/dbraw/zinc/41/06/76/291410676.db2.gz RGQBJZKFIHDEEW-UHFFFAOYSA-N 0 0 313.317 0.462 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC(=O)[C@H](C)C2)c1 ZINC000275231887 212212755 /nfs/dbraw/zinc/21/27/55/212212755.db2.gz JPMSSRQYILRFCG-SNVBAGLBSA-N 0 0 310.375 0.694 10 0 DCAERN O=C(NC[C@@H]1CCc2nccn2C1)N[C@@H]1CCCCNC1=O ZINC000275225658 212208348 /nfs/dbraw/zinc/20/83/48/212208348.db2.gz AWPJBISTTCMGIY-NWDGAFQWSA-N 0 0 305.382 0.413 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000092228940 193176528 /nfs/dbraw/zinc/17/65/28/193176528.db2.gz KUBFGYQHDSVARB-GFCCVEGCSA-N 0 0 321.381 0.123 10 0 DCAERN NC(=O)[C@H]1COCCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000092229982 193177523 /nfs/dbraw/zinc/17/75/23/193177523.db2.gz SSPJVBXSUWDACD-SMDDNHRTSA-N 0 0 319.361 0.094 10 0 DCAERN NC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(F)cc1Cl ZINC000092229407 193177548 /nfs/dbraw/zinc/17/75/48/193177548.db2.gz IZEMVCLTIPZFSS-LLVKDONJSA-N 0 0 315.732 0.604 10 0 DCAERN NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccccc1Cl ZINC000092229768 193177596 /nfs/dbraw/zinc/17/75/96/193177596.db2.gz BAZMLIDHGYXNDT-GFCCVEGCSA-N 0 0 311.769 0.855 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000092230733 193177618 /nfs/dbraw/zinc/17/76/18/193177618.db2.gz OCMINRWJUCYYBR-CYBMUJFWSA-N 0 0 322.315 0.837 10 0 DCAERN Cn1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c(C(C)(C)C)n1 ZINC000092237394 193177984 /nfs/dbraw/zinc/17/79/84/193177984.db2.gz FJLHHVAZVWEUGD-GFCCVEGCSA-N 0 0 324.425 0.141 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000562415086 288573553 /nfs/dbraw/zinc/57/35/53/288573553.db2.gz KJOVVYHWWQSAJD-RDBSUJKOSA-N 0 0 321.439 0.052 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000367675939 291444089 /nfs/dbraw/zinc/44/40/89/291444089.db2.gz RGZYKBOHVFVNDJ-BLXSCJOCSA-N 0 0 311.378 0.981 10 0 DCAERN CC(=O)Nc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000093531037 193264863 /nfs/dbraw/zinc/26/48/63/193264863.db2.gz LRLUKXVCFHLGQO-AWEZNQCLSA-N 0 0 311.407 0.769 10 0 DCAERN CCS(=O)(=O)NCCCNC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000094072778 193343500 /nfs/dbraw/zinc/34/35/00/193343500.db2.gz PHYZGKRIGOTMIA-GHMZBOCLSA-N 0 0 306.428 0.636 10 0 DCAERN COC(=O)[C@H]1CC12CCN(C(=O)N[C@H](C)Cn1cncn1)CC2 ZINC000265082390 204385326 /nfs/dbraw/zinc/38/53/26/204385326.db2.gz KBRSLHXDSTWGOU-VXGBXAGGSA-N 0 0 321.381 0.651 10 0 DCAERN C[C@@H]1CN(C(=O)CN2c3ccccc3OCC2=O)CC(=O)N1C ZINC000282513829 217053106 /nfs/dbraw/zinc/05/31/06/217053106.db2.gz YHFPIHYWISYXLN-LLVKDONJSA-N 0 0 317.345 0.101 10 0 DCAERN CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C ZINC000282543166 217076768 /nfs/dbraw/zinc/07/67/68/217076768.db2.gz SPJQCZNCQGTUJG-JTQLQIEISA-N 0 0 322.413 0.400 10 0 DCAERN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177633224 284317847 /nfs/dbraw/zinc/31/78/47/284317847.db2.gz XVTCCCYYTLUMAQ-GFCCVEGCSA-N 0 0 324.344 0.829 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000282721851 217200406 /nfs/dbraw/zinc/20/04/06/217200406.db2.gz ZHQYOKUZTFRBOG-SKDRFNHKSA-N 0 0 300.355 0.912 10 0 DCAERN Cn1cnc(S(=O)(=O)NCCc2nc3ccccc3[nH]2)c1 ZINC000015777577 182015956 /nfs/dbraw/zinc/01/59/56/182015956.db2.gz RWRZBUXPKQUTOA-UHFFFAOYSA-N 0 0 305.363 0.817 10 0 DCAERN Cc1cc2n(n1)CCCN2CC(=O)N1CCC2(CC1)OCCO2 ZINC000015769901 182015454 /nfs/dbraw/zinc/01/54/54/182015454.db2.gz ZDMIKDSRJMWINX-UHFFFAOYSA-N 0 0 320.393 0.767 10 0 DCAERN CCN(C1CCN(C(=O)N[C@@H]2C[C@@H]2C)CC1)S(C)(=O)=O ZINC000408112717 284374889 /nfs/dbraw/zinc/37/48/89/284374889.db2.gz PRGCWSCHQCIUQY-CMPLNLGQSA-N 0 0 303.428 0.850 10 0 DCAERN C[C@@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408427084 296204146 /nfs/dbraw/zinc/20/41/46/296204146.db2.gz MLLQOKNUCYUZKT-RKQHYHRCSA-N 0 0 320.455 0.822 10 0 DCAERN CC(=O)c1ccc(S(C)(=O)=O)c(N2CC(C)(C(N)=O)C2)c1 ZINC000572597875 291577364 /nfs/dbraw/zinc/57/73/64/291577364.db2.gz RAKUFORNVZBFPQ-UHFFFAOYSA-N 0 0 310.375 0.604 10 0 DCAERN CCC1(CNC(=O)N2CCN3CCOC[C@H]3C2)CCOCC1 ZINC000572890841 291596654 /nfs/dbraw/zinc/59/66/54/291596654.db2.gz OBHVRSSNJHBZKJ-CQSZACIVSA-N 0 0 311.426 0.919 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cnn(C)c1 ZINC000248819301 291632119 /nfs/dbraw/zinc/63/21/19/291632119.db2.gz IWMFXUCVQMKMDP-JLLWLGSASA-N 0 0 313.379 0.382 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCNC(=O)C1(C)C)c1ccccc1 ZINC000103971151 193969902 /nfs/dbraw/zinc/96/99/02/193969902.db2.gz PALIYRKHGUCWJU-AWEZNQCLSA-N 0 0 317.389 0.991 10 0 DCAERN CN1C(=O)C(=O)N(CC(=O)NC2C3CC4CC(C3)CC2C4)C1=O ZINC000274041239 211300418 /nfs/dbraw/zinc/30/04/18/211300418.db2.gz QICSORFNTFPVRI-UHFFFAOYSA-N 0 0 319.361 0.348 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnccc2C)C1 ZINC000105532731 194109065 /nfs/dbraw/zinc/10/90/65/194109065.db2.gz FYWYRQRZBBKDOB-LBPRGKRZSA-N 0 0 304.350 0.456 10 0 DCAERN CCN1C[C@H](C(=O)N2CCCN(c3cccnn3)CC2)CC1=O ZINC000105810886 194134960 /nfs/dbraw/zinc/13/49/60/194134960.db2.gz BBPFNGSJMWGQPB-CYBMUJFWSA-N 0 0 317.393 0.384 10 0 DCAERN CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H](n2cncn2)C1 ZINC000105898542 194164458 /nfs/dbraw/zinc/16/44/58/194164458.db2.gz PRUNDFIYBGWCAG-RYUDHWBXSA-N 0 0 308.386 0.538 10 0 DCAERN CCc1nn(C)c(Cl)c1CN1CCN(CC(=O)NC)CC1 ZINC000105917886 194169963 /nfs/dbraw/zinc/16/99/63/194169963.db2.gz RRGAVCRUGQRQLL-UHFFFAOYSA-N 0 0 313.833 0.500 10 0 DCAERN COC(=O)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000106753392 194249976 /nfs/dbraw/zinc/24/99/76/194249976.db2.gz QTNKZPXTGCKHPP-MWLCHTKSSA-N 0 0 314.407 0.756 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCCC[S@@](C)=O)cc1C ZINC000109920258 194298676 /nfs/dbraw/zinc/29/86/76/194298676.db2.gz UQSXPBKPTWUEEM-NRFANRHFSA-N 0 0 310.419 0.918 10 0 DCAERN O=C(CN1CCC(=O)NC1=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110453181 194330897 /nfs/dbraw/zinc/33/08/97/194330897.db2.gz SRURTJYGIISJEF-OLZOCXBDSA-N 0 0 301.346 0.848 10 0 DCAERN COC[C@@H](C)C(=O)NCC(C)(C)CNC(=O)[C@H](C)COC ZINC000110868196 194365327 /nfs/dbraw/zinc/36/53/27/194365327.db2.gz NIBKSIAZMMTNHV-VXGBXAGGSA-N 0 0 302.415 0.810 10 0 DCAERN COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)N1CCCCCC1 ZINC000408334650 291773876 /nfs/dbraw/zinc/77/38/76/291773876.db2.gz BPVUKGIESUYXHC-JTQLQIEISA-N 0 0 308.400 0.009 10 0 DCAERN COc1ccc(CNC(=O)CN2CCC(CC(N)=O)CC2)cc1 ZINC000061332614 184168900 /nfs/dbraw/zinc/16/89/00/184168900.db2.gz KAMPFJNFYYYYLV-UHFFFAOYSA-N 0 0 319.405 0.899 10 0 DCAERN Nc1cc(Br)ccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000061709015 184185057 /nfs/dbraw/zinc/18/50/57/184185057.db2.gz LVSVDZMZIPVVIN-QMMMGPOBSA-N 0 0 321.196 0.787 10 0 DCAERN NS(=O)(=O)c1ccc(Cl)c(N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000062962227 184262323 /nfs/dbraw/zinc/26/23/23/184262323.db2.gz NWFPNWQSGSJGIK-SSDOTTSWSA-N 0 0 324.811 0.586 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000312707800 252642302 /nfs/dbraw/zinc/64/23/02/252642302.db2.gz CROPROOTOKDMSQ-VIFPVBQESA-N 0 0 314.260 0.909 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)cc1F ZINC000313665425 252643737 /nfs/dbraw/zinc/64/37/37/252643737.db2.gz PBCBDIJOIYPJCC-CYBMUJFWSA-N 0 0 303.355 0.642 10 0 DCAERN Cc1cc(N2CCC(NC(=O)N(C)[C@H]3CCNC3=O)CC2)n[nH]1 ZINC000333342958 252709741 /nfs/dbraw/zinc/70/97/41/252709741.db2.gz UAAORCLXIOBZAN-LBPRGKRZSA-N 0 0 320.397 0.217 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1CCC[C@H](CCO)CC1 ZINC000333809859 252765839 /nfs/dbraw/zinc/76/58/39/252765839.db2.gz ZZEVCUXTTAFANB-MELADBBJSA-N 0 0 323.397 0.412 10 0 DCAERN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CCO1 ZINC000334042142 252787355 /nfs/dbraw/zinc/78/73/55/252787355.db2.gz ORHCCYPFXXZYHQ-QEJZJMRPSA-N 0 0 312.410 0.096 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@](C)(O)Cn2ccccc2=O)s1 ZINC000344389730 253776761 /nfs/dbraw/zinc/77/67/61/253776761.db2.gz BVAXBHBNKNBPOK-CQSZACIVSA-N 0 0 321.358 0.897 10 0 DCAERN CCN1C(=O)CC[C@@H](C(=O)N2CC(C)(O)C2)[C@H]1c1cnn(C)c1 ZINC000407982878 285155561 /nfs/dbraw/zinc/15/55/61/285155561.db2.gz ABEIHFIOJIETHJ-TZMCWYRMSA-N 0 0 320.393 0.313 10 0 DCAERN O=C1N[C@@H](c2ccc(O)c(Br)c2)N2CCOC[C@@H]12 ZINC000093884252 296388979 /nfs/dbraw/zinc/38/89/79/296388979.db2.gz XLQKWDQVVWJEHX-GXSJLCMTSA-N 0 0 313.151 0.984 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000104361028 220435561 /nfs/dbraw/zinc/43/55/61/220435561.db2.gz NEMKXCYMINAEHZ-WCQYABFASA-N 0 0 309.410 0.808 10 0 DCAERN COc1c(CNS(=O)(=O)N2CCC[C@H](C)C2)c(C)nn1C ZINC000119255054 220444681 /nfs/dbraw/zinc/44/46/81/220444681.db2.gz LMCHFBMTKQJWCV-JTQLQIEISA-N 0 0 316.427 0.803 10 0 DCAERN C[C@H](OCc1ccccc1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000347563547 254168309 /nfs/dbraw/zinc/16/83/09/254168309.db2.gz HKFZNLNFYGLNDL-QWRGUYRKSA-N 0 0 300.380 0.385 10 0 DCAERN CN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000347610753 254171819 /nfs/dbraw/zinc/17/18/19/254171819.db2.gz FJHQZBVYWOFTCD-DGAVXFQQSA-N 0 0 322.405 0.698 10 0 DCAERN COC(=O)CCCS(=O)(=O)NCC[C@H](O)C(F)(F)F ZINC000349980497 254307120 /nfs/dbraw/zinc/30/71/20/254307120.db2.gz ZNNBLOVQSXQMGQ-ZETCQYMHSA-N 0 0 307.290 0.172 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)N(CCO)C[C@H](C)O)c1 ZINC000350273084 254314963 /nfs/dbraw/zinc/31/49/63/254314963.db2.gz ZEBOJFVZTZSJAU-NSHDSACASA-N 0 0 309.366 0.876 10 0 DCAERN C[C@H](CNC(=O)COc1ccccc1Cl)S(N)(=O)=O ZINC000350618060 254319187 /nfs/dbraw/zinc/31/91/87/254319187.db2.gz BOXGFTKKZAWNDM-MRVPVSSYSA-N 0 0 306.771 0.512 10 0 DCAERN COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000352028354 254391563 /nfs/dbraw/zinc/39/15/63/254391563.db2.gz PUPPFDHDAJCGER-MNOVXSKESA-N 0 0 318.395 0.158 10 0 DCAERN COCCOc1ccc(C(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188764272 533225773 /nfs/dbraw/zinc/22/57/73/533225773.db2.gz SZHXIQLHEBZJMR-CQSZACIVSA-N 0 0 322.405 0.850 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCC[C@@]2(CCN(S(C)(=O)=O)C2)O1 ZINC000248168198 257106921 /nfs/dbraw/zinc/10/69/21/257106921.db2.gz PZLIXHFKVREVEC-JSGCOSHPSA-N 0 0 318.439 0.732 10 0 DCAERN Cn1ccnc1C(=O)N1C[C@H]2CCN(c3cnccn3)C[C@H]2C1 ZINC000248128568 257108294 /nfs/dbraw/zinc/10/82/94/257108294.db2.gz MMRMWGRTTGTABD-OLZOCXBDSA-N 0 0 312.377 0.809 10 0 DCAERN Cc1cc(C(=O)N2C[C@@H]3OC[C@@H](c4nnc(C)o4)[C@@H]3C2)no1 ZINC000248038927 257110719 /nfs/dbraw/zinc/11/07/19/257110719.db2.gz RYDJQDPBDPONQD-UMNHJUIQSA-N 0 0 304.306 0.929 10 0 DCAERN CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000248001848 257111764 /nfs/dbraw/zinc/11/17/64/257111764.db2.gz NWYJYKSWBXTGSL-JKSUJKDBSA-N 0 0 321.396 0.799 10 0 DCAERN CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2S(=O)(=O)c1cn(C)cn1 ZINC000248008836 257112285 /nfs/dbraw/zinc/11/22/85/257112285.db2.gz CZJQUBXQWNRZRE-WZRBSPASSA-N 0 0 315.395 0.377 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](N3CCCC3=O)[C@@H]3OCCC[C@@H]32)no1 ZINC000253478851 257105695 /nfs/dbraw/zinc/10/56/95/257105695.db2.gz NJVLMORUADBATL-KCQAQPDRSA-N 0 0 319.361 0.977 10 0 DCAERN C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)[C@H]1CCCOC1 ZINC000330350570 300019955 /nfs/dbraw/zinc/01/99/55/300019955.db2.gz LGENUOWQWSIHGW-QWRGUYRKSA-N 0 0 311.425 0.004 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275771030 130382301 /nfs/dbraw/zinc/38/23/01/130382301.db2.gz SFQMIVADBBSFSU-SRVKXCTJSA-N 0 0 321.381 0.628 10 0 DCAERN CCO[C@H]1C[C@@](O)(CNc2ccc(C(=O)NC)nn2)C1(C)C ZINC000276810917 130548760 /nfs/dbraw/zinc/54/87/60/130548760.db2.gz CHPSWIVFPLYESY-XHDPSFHLSA-N 0 0 308.382 0.814 10 0 DCAERN CC(C)[C@@H](O)CN1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000366586678 130808196 /nfs/dbraw/zinc/80/81/96/130808196.db2.gz AMRAUYSRBRQLPE-STQMWFEESA-N 0 0 321.381 0.860 10 0 DCAERN COc1nc(N2CC(=O)N(C)[C@@H](C)C2)ncc1Br ZINC000283669631 131012194 /nfs/dbraw/zinc/01/21/94/131012194.db2.gz YBJNRPMIIJKXHY-ZETCQYMHSA-N 0 0 315.171 0.915 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)CC(=O)N1C ZINC000283799736 131024580 /nfs/dbraw/zinc/02/45/80/131024580.db2.gz NNBZDLQFNWHWJP-LLVKDONJSA-N 0 0 301.350 0.706 10 0 DCAERN COc1cnc(NC(=O)N2CCC[C@H]2CN2CCOCC2)nc1 ZINC000283855882 131030087 /nfs/dbraw/zinc/03/00/87/131030087.db2.gz HUXOUQFVGXMISK-LBPRGKRZSA-N 0 0 321.381 0.814 10 0 DCAERN CC(C)[C@H]1C(=O)NCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284180661 131056481 /nfs/dbraw/zinc/05/64/81/131056481.db2.gz GTCOSZPGIOYWIV-AWEZNQCLSA-N 0 0 318.377 0.862 10 0 DCAERN Cc1ccnc(N2CCC[C@@](O)(C(N)=O)C2)c1Br ZINC000284530491 131089869 /nfs/dbraw/zinc/08/98/69/131089869.db2.gz GEOLOZWIQVQWTF-LBPRGKRZSA-N 0 0 314.183 0.969 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(c2cncc(Br)c2)C1 ZINC000284695110 131104859 /nfs/dbraw/zinc/10/48/59/131104859.db2.gz YIQGWNFBMOBEDZ-UWVGGRQHSA-N 0 0 300.156 0.923 10 0 DCAERN Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284704467 131105501 /nfs/dbraw/zinc/10/55/01/131105501.db2.gz ZGIBYQDHRJMILY-OLZOCXBDSA-N 0 0 320.393 0.151 10 0 DCAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284848285 131116250 /nfs/dbraw/zinc/11/62/50/131116250.db2.gz QGNVIDRHLYDBTH-HNNXBMFYSA-N 0 0 318.381 0.798 10 0 DCAERN COC[C@@H]1CN(S(=O)(=O)c2ccnn2C)CC(C)(C)O1 ZINC000284904149 131121536 /nfs/dbraw/zinc/12/15/36/131121536.db2.gz HTKCJXAUXUZGPI-JTQLQIEISA-N 0 0 303.384 0.235 10 0 DCAERN CN(C)S(=O)(=O)N[C@H](c1nccn1C)C1CCOCC1 ZINC000285207036 131147449 /nfs/dbraw/zinc/14/74/49/131147449.db2.gz WWTRBWHJCSGJMA-NSHDSACASA-N 0 0 302.400 0.284 10 0 DCAERN O=C(NC[C@H]1CC=CCC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000285349669 131159903 /nfs/dbraw/zinc/15/99/03/131159903.db2.gz GKQHYAYJMCRFJY-BBRMVZONSA-N 0 0 308.378 0.477 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2csc(NC3CC3)n2)C1 ZINC000285621111 131187172 /nfs/dbraw/zinc/18/71/72/131187172.db2.gz SGTLADGQHBIMRC-ZDUSSCGKSA-N 0 0 310.379 0.170 10 0 DCAERN Cn1nccc1CC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285669479 131191588 /nfs/dbraw/zinc/19/15/88/131191588.db2.gz KPCOAMYCTDAECT-CYBMUJFWSA-N 0 0 319.409 0.759 10 0 DCAERN O=C(CNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)NCC(F)(F)F ZINC000366653412 131300560 /nfs/dbraw/zinc/30/05/60/131300560.db2.gz MXNULDVPYFZPGU-NXEZZACHSA-N 0 0 323.315 0.733 10 0 DCAERN O=C(c1ccccc1[S@](=O)N1CCOCC1)N1CCOCC1 ZINC000005224335 395682674 /nfs/dbraw/zinc/68/26/74/395682674.db2.gz SEVYPLYOVFKILK-JOCHJYFZSA-N 0 0 324.402 0.514 10 0 DCAERN Cc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1S(N)(=O)=O ZINC000085684676 395701439 /nfs/dbraw/zinc/70/14/39/395701439.db2.gz ISRLJXNRLFRUEP-LBPRGKRZSA-N 0 0 312.391 0.941 10 0 DCAERN CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H]1CCC[C@@H]1O ZINC000089169496 395708744 /nfs/dbraw/zinc/70/87/44/395708744.db2.gz UJQNCFJYMITNIK-SCZZXKLOSA-N 0 0 317.367 0.026 10 0 DCAERN CC1(C)O[C@H]2O[C@@H]3[C@@H](O)CN(C(=O)c4ccccc4)[C@@H]3[C@H]2O1 ZINC000032107212 395709444 /nfs/dbraw/zinc/70/94/44/395709444.db2.gz UIWLWXXKXLOPJR-RLPMIEJPSA-N 0 0 305.330 0.748 10 0 DCAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1O ZINC000089412503 395711384 /nfs/dbraw/zinc/71/13/84/395711384.db2.gz ZULHDDHHLNVKRB-RNCFNFMXSA-N 0 0 302.330 0.755 10 0 DCAERN C[C@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@@H]1O ZINC000089419739 395711386 /nfs/dbraw/zinc/71/13/86/395711386.db2.gz MVFDFCJQBNHQMD-AAEUAGOBSA-N 0 0 303.424 0.963 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)c1c(C)c(C)nn(C)c1=O ZINC000089880607 395715854 /nfs/dbraw/zinc/71/58/54/395715854.db2.gz GZRFGUCDGCDBJC-SECBINFHSA-N 0 0 309.366 0.859 10 0 DCAERN O=C(c1cccc(F)c1Cl)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000090925998 395720175 /nfs/dbraw/zinc/72/01/75/395720175.db2.gz BBHCKNXXJMDTMY-CYBMUJFWSA-N 0 0 311.700 0.903 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](C)[C@H](O)C3)cnc12 ZINC000091083407 395721824 /nfs/dbraw/zinc/72/18/24/395721824.db2.gz BQZVIZNMFYARRV-ZWNOBZJWSA-N 0 0 301.346 0.846 10 0 DCAERN Nc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1 ZINC000028088698 395695837 /nfs/dbraw/zinc/69/58/37/395695837.db2.gz XVLXSGOMVOOGOT-UHFFFAOYSA-N 0 0 318.401 0.811 10 0 DCAERN CCOC(=O)[C@H](Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000040174107 395732833 /nfs/dbraw/zinc/73/28/33/395732833.db2.gz DYBKBWNDFKQQIP-KGLIPLIRSA-N 0 0 311.403 0.938 10 0 DCAERN CCc1nc(NC(=O)CN2CCOC[C@H]2C(N)=O)sc1C ZINC000092229278 395729596 /nfs/dbraw/zinc/72/95/96/395729596.db2.gz OJHZRGOQBXQQHF-JTQLQIEISA-N 0 0 312.395 0.139 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1c[nH]nc1C ZINC000038011614 395730304 /nfs/dbraw/zinc/73/03/04/395730304.db2.gz BXVMCEOFSZOKFE-GFCCVEGCSA-N 0 0 314.411 0.539 10 0 DCAERN C[C@@H](CNC(=O)C(=O)Nc1ccccc1F)N1CCOCC1 ZINC000041600712 395738536 /nfs/dbraw/zinc/73/85/36/395738536.db2.gz YDXWUQHQIPVASN-NSHDSACASA-N 0 0 309.341 0.601 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000042747162 395748155 /nfs/dbraw/zinc/74/81/55/395748155.db2.gz PZYMIVMIMOMYSV-ZYHUDNBSSA-N 0 0 324.402 0.896 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC(=O)N2CCCC2)C1 ZINC000044326143 395755840 /nfs/dbraw/zinc/75/58/40/395755840.db2.gz ZEFLQBNJBHIZNW-TXEJJXNPSA-N 0 0 303.428 0.421 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000193940864 395783205 /nfs/dbraw/zinc/78/32/05/395783205.db2.gz HERUGZSHWVOCSX-GBIKHYSHSA-N 0 0 306.366 0.975 10 0 DCAERN CCNC(=O)CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000194011342 395785554 /nfs/dbraw/zinc/78/55/54/395785554.db2.gz GPSKELFSAXNBID-JTQLQIEISA-N 0 0 312.395 0.671 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000104035736 395776909 /nfs/dbraw/zinc/77/69/09/395776909.db2.gz IJIDFCTUHZTURB-MFKMUULPSA-N 0 0 318.377 0.866 10 0 DCAERN CN1CCO[C@H](CNC(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000194618047 395802665 /nfs/dbraw/zinc/80/26/65/395802665.db2.gz ACJBOWAYPJHBNW-LLVKDONJSA-N 0 0 312.391 0.151 10 0 DCAERN O=S(=O)(CCNCc1cncnc1)NC[C@@H]1CCCCO1 ZINC000111405034 395808069 /nfs/dbraw/zinc/80/80/69/395808069.db2.gz WGACHQLSDGJNPT-ZDUSSCGKSA-N 0 0 314.411 0.055 10 0 DCAERN C[C@@H](CNC(=O)CN1CC(=O)NC1=O)N1CCc2ccccc21 ZINC000111562776 395809720 /nfs/dbraw/zinc/80/97/20/395809720.db2.gz XKJVZBUBSNTVQR-NSHDSACASA-N 0 0 316.361 0.106 10 0 DCAERN COC(=O)c1cc(CN(C)C[C@@H](O)CN2CCCC2=O)oc1C ZINC000111681847 395811138 /nfs/dbraw/zinc/81/11/38/395811138.db2.gz QLDASZFCNQFRTM-GFCCVEGCSA-N 0 0 324.377 0.790 10 0 DCAERN CNC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000048440465 395815790 /nfs/dbraw/zinc/81/57/90/395815790.db2.gz GBJAWXIMCXOABM-ZETCQYMHSA-N 0 0 316.770 0.401 10 0 DCAERN Cn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 ZINC000195105213 395816262 /nfs/dbraw/zinc/81/62/62/395816262.db2.gz BEBSDVOOZDINFE-GFCCVEGCSA-N 0 0 314.349 0.178 10 0 DCAERN CCCCOC[C@@H](O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000195128543 395817260 /nfs/dbraw/zinc/81/72/60/395817260.db2.gz SZOTWPHKHDLZRF-ZDUSSCGKSA-N 0 0 308.444 0.131 10 0 DCAERN Cn1c2[nH]c(-c3nnc(C(F)(F)F)o3)nc2c(=O)n(C)c1=O ZINC000048554407 395817395 /nfs/dbraw/zinc/81/73/95/395817395.db2.gz CZGWTAZHAHTCTE-UHFFFAOYSA-N 0 0 316.199 0.029 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000112647924 395820134 /nfs/dbraw/zinc/82/01/34/395820134.db2.gz GQIKOXRFSFRTJN-ZDUSSCGKSA-N 0 0 314.345 0.991 10 0 DCAERN CC1(CNC(=O)N2CCN(Cc3cccnc3)CC2)COC1 ZINC000112723134 395822731 /nfs/dbraw/zinc/82/27/31/395822731.db2.gz UNLUDZDKKKZHNK-UHFFFAOYSA-N 0 0 304.394 0.945 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000195361305 395825531 /nfs/dbraw/zinc/82/55/31/395825531.db2.gz FBDUFMTUJVQANE-ILXRZTDVSA-N 0 0 324.421 0.756 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)NCc1nnc(C2CCC2)n1C ZINC000195453944 395827394 /nfs/dbraw/zinc/82/73/94/395827394.db2.gz KFMXDODRPBYARX-VIFPVBQESA-N 0 0 302.400 0.537 10 0 DCAERN Cc1c([C@H](C)NC(=O)NC[C@@H](C)N2CCOCC2)cnn1C ZINC000049130613 395828417 /nfs/dbraw/zinc/82/84/17/395828417.db2.gz IKLNYHSTVBBWJI-NEPJUHHUSA-N 0 0 309.414 0.809 10 0 DCAERN Cn1nccc1CNC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000113373839 395830084 /nfs/dbraw/zinc/83/00/84/395830084.db2.gz XMDNYMPTJAHDCV-UHFFFAOYSA-N 0 0 302.400 0.433 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)c2n1 ZINC000114231798 395833264 /nfs/dbraw/zinc/83/32/64/395833264.db2.gz ZCEYQLOUMFJBPG-ZDUSSCGKSA-N 0 0 313.361 0.921 10 0 DCAERN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000114608626 395835666 /nfs/dbraw/zinc/83/56/66/395835666.db2.gz AJEAACHBZGFWCP-CABZTGNLSA-N 0 0 310.375 0.862 10 0 DCAERN CC(C)(CO)NS(=O)(=O)c1cc(Br)cnc1N ZINC000114718797 395836535 /nfs/dbraw/zinc/83/65/35/395836535.db2.gz MEQXZUZGQNFGDP-UHFFFAOYSA-N 0 0 324.200 0.476 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCO2)cc1C ZINC000118115387 395860227 /nfs/dbraw/zinc/86/02/27/395860227.db2.gz WIQKPGKNUDGYRQ-AWEZNQCLSA-N 0 0 305.378 0.689 10 0 DCAERN COC(=O)NCC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115389112 395839105 /nfs/dbraw/zinc/83/91/05/395839105.db2.gz ZGVCGSWDHVILCD-UHFFFAOYSA-N 0 0 323.397 0.037 10 0 DCAERN C[C@H](CN1CCOCC1)NC(=O)c1cccc(-n2cncn2)c1 ZINC000115334107 395839546 /nfs/dbraw/zinc/83/95/46/395839546.db2.gz YEXXHPWKMHPSGK-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2cccnc2Cl)C1 ZINC000116930053 395849602 /nfs/dbraw/zinc/84/96/02/395849602.db2.gz ITJDSCDXERPEMG-QMMMGPOBSA-N 0 0 318.786 0.890 10 0 DCAERN CO[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CC[C@H]1C ZINC000221262712 395850502 /nfs/dbraw/zinc/85/05/02/395850502.db2.gz LQLJBECFYBBVQM-PSASIEDQSA-N 0 0 318.420 0.893 10 0 DCAERN CN(C)c1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000116982043 395850692 /nfs/dbraw/zinc/85/06/92/395850692.db2.gz VXNPNMYFWLJBTH-LBPRGKRZSA-N 0 0 311.407 0.516 10 0 DCAERN COCCN1CCN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1C ZINC000117294017 395852337 /nfs/dbraw/zinc/85/23/37/395852337.db2.gz UNBLEEKZHXYEAQ-GFCCVEGCSA-N 0 0 320.393 0.970 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000223198730 395853965 /nfs/dbraw/zinc/85/39/65/395853965.db2.gz QGOFLMDBCUTXAT-GFCCVEGCSA-N 0 0 323.393 0.289 10 0 DCAERN COCC[N@@H+]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C[C@@H]1C ZINC000108867412 395794132 /nfs/dbraw/zinc/79/41/32/395794132.db2.gz APNFPECVDPOQGE-LBPRGKRZSA-N 0 0 305.382 0.175 10 0 DCAERN Cc1ccn2ncc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c2n1 ZINC000108904862 395794697 /nfs/dbraw/zinc/79/46/97/395794697.db2.gz JVGTURYEQFRPCL-LBPRGKRZSA-N 0 0 301.350 0.634 10 0 DCAERN CCOC(=O)N1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000118078794 395857810 /nfs/dbraw/zinc/85/78/10/395857810.db2.gz KUMJMYHXHVMVIG-UHFFFAOYSA-N 0 0 309.370 0.675 10 0 DCAERN CCN(C(=O)NCCn1cc(C)cn1)[C@@H](C)CS(C)(=O)=O ZINC000118079454 395858011 /nfs/dbraw/zinc/85/80/11/395858011.db2.gz CXISYNIQOKPLBD-LBPRGKRZSA-N 0 0 316.427 0.656 10 0 DCAERN CCCc1noc(CCCC(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000194605382 395801253 /nfs/dbraw/zinc/80/12/53/395801253.db2.gz MAQRCTZPJNGRAV-GFCCVEGCSA-N 0 0 310.398 0.792 10 0 DCAERN CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)C(C)C ZINC000194607368 395801412 /nfs/dbraw/zinc/80/14/12/395801412.db2.gz RLLDEDNEBXJXIP-UKRRQHHQSA-N 0 0 313.442 0.620 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCn1ccnc1 ZINC000234575696 395888951 /nfs/dbraw/zinc/88/89/51/395888951.db2.gz ZIZYLYJIWFHPIB-MNOVXSKESA-N 0 0 301.368 0.144 10 0 DCAERN COC(=O)[C@@H]1CN(Cc2nc(N)c3ccccc3n2)C[C@@H](C)O1 ZINC000123367693 395893422 /nfs/dbraw/zinc/89/34/22/395893422.db2.gz LYLCPVCXIKPCPR-MFKMUULPSA-N 0 0 316.361 0.974 10 0 DCAERN COC(=O)[C@@H]1CN(CCn2c(C)csc2=O)C[C@@H](C)O1 ZINC000123524996 395895356 /nfs/dbraw/zinc/89/53/56/395895356.db2.gz KQWILXPWALDGKF-MNOVXSKESA-N 0 0 300.380 0.481 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CC)CC1 ZINC000054483321 395901146 /nfs/dbraw/zinc/90/11/46/395901146.db2.gz HFEHKOVOZXNUFO-ZDUSSCGKSA-N 0 0 317.455 0.355 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1C ZINC000125828706 395906639 /nfs/dbraw/zinc/90/66/39/395906639.db2.gz PTRSWODQYOTRCB-WDEREUQCSA-N 0 0 311.407 0.600 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC000055291429 395916141 /nfs/dbraw/zinc/91/61/41/395916141.db2.gz VSZMXRDIRLTDLR-GHMZBOCLSA-N 0 0 321.443 0.187 10 0 DCAERN CCOC(=O)CN(C)C(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128095802 395917168 /nfs/dbraw/zinc/91/71/68/395917168.db2.gz DGYIORXSEQFQKC-UONOGXRCSA-N 0 0 322.409 0.978 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000128108748 395917775 /nfs/dbraw/zinc/91/77/75/395917775.db2.gz WBCKRIBBCDAFKG-NXEZZACHSA-N 0 0 322.390 0.837 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000129390869 395919713 /nfs/dbraw/zinc/91/97/13/395919713.db2.gz CDUBHKNAWNLLTQ-CYBMUJFWSA-N 0 0 316.365 0.939 10 0 DCAERN CC[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1nccs1 ZINC000130651419 395923505 /nfs/dbraw/zinc/92/35/05/395923505.db2.gz SOYBQIXGQAYBJP-JTQLQIEISA-N 0 0 324.406 0.401 10 0 DCAERN CNS(=O)(=O)c1ccc(CCC(=O)NCC[C@@H](C)O)cc1 ZINC000118719211 395863789 /nfs/dbraw/zinc/86/37/89/395863789.db2.gz OEYUMVYNMJROFS-LLVKDONJSA-N 0 0 314.407 0.414 10 0 DCAERN 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JLQOZGZRSPXVMP-CQSZACIVSA-N 0 0 318.377 0.262 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)CNC(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000119980641 395879958 /nfs/dbraw/zinc/87/99/58/395879958.db2.gz LHAFGACOIXKYDM-GWCFXTLKSA-N 0 0 324.768 0.396 10 0 DCAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)C(N)=O)C(C)C ZINC000053395140 395882135 /nfs/dbraw/zinc/88/21/35/395882135.db2.gz XUHZNJNFYXOVRD-DGCLKSJQSA-N 0 0 305.378 0.739 10 0 DCAERN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)C(C)C ZINC000230865530 395882327 /nfs/dbraw/zinc/88/23/27/395882327.db2.gz YUFWNSPHAZIEEY-QMMMGPOBSA-N 0 0 309.775 0.549 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(=O)[nH]c1=O ZINC000273607583 395932860 /nfs/dbraw/zinc/93/28/60/395932860.db2.gz OMJFVXKSDPFAGL-GHMZBOCLSA-N 0 0 309.366 0.355 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCCO ZINC000245883003 395937709 /nfs/dbraw/zinc/93/77/09/395937709.db2.gz VROXKLBUXWCTBV-NEPJUHHUSA-N 0 0 306.428 0.468 10 0 DCAERN CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cccnn3)C2)CC1=O ZINC000135305070 395939633 /nfs/dbraw/zinc/93/96/33/395939633.db2.gz DZKUNYSQJYGLMF-NWDGAFQWSA-N 0 0 303.366 0.040 10 0 DCAERN CCn1cc(C(=O)C(=O)N2CCC[C@H](Cn3cncn3)C2)cn1 ZINC000135364110 395939702 /nfs/dbraw/zinc/93/97/02/395939702.db2.gz JPOICDSHMIHMDA-LBPRGKRZSA-N 0 0 316.365 0.616 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000135510804 395940185 /nfs/dbraw/zinc/94/01/85/395940185.db2.gz QWAOACZWWYYPIS-YPMHNXCESA-N 0 0 322.390 0.864 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nn[nH]n1 ZINC000135467223 395940303 /nfs/dbraw/zinc/94/03/03/395940303.db2.gz ZBTSOSWOIOTNJA-MWLCHTKSSA-N 0 0 302.338 0.983 10 0 DCAERN CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CC1=O ZINC000246090376 395940857 /nfs/dbraw/zinc/94/08/57/395940857.db2.gz CKGRQQPHYPQJNE-AAVRWANBSA-N 0 0 310.394 0.650 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246243590 395945184 /nfs/dbraw/zinc/94/51/84/395945184.db2.gz MKTDNXIDUUENCD-DGCLKSJQSA-N 0 0 306.366 0.769 10 0 DCAERN 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/nfs/dbraw/zinc/96/67/76/395966776.db2.gz VFUONOUDNUYZAD-ZIAGYGMSSA-N 0 0 320.455 0.996 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000063090676 395974455 /nfs/dbraw/zinc/97/44/55/395974455.db2.gz ZTVSOZWHIFPUOS-SFYZADRCSA-N 0 0 302.318 0.725 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2CO)C1 ZINC000151065415 395978079 /nfs/dbraw/zinc/97/80/79/395978079.db2.gz BLPXQYXMQCDATE-YNEHKIRRSA-N 0 0 318.439 0.325 10 0 DCAERN O=C(N[C@H]1CCCOC1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000247778530 395978566 /nfs/dbraw/zinc/97/85/66/395978566.db2.gz RHPMZKFCZSGSBP-STQMWFEESA-N 0 0 305.382 0.924 10 0 DCAERN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151383046 395984361 /nfs/dbraw/zinc/98/43/61/395984361.db2.gz UZJVFJBIQGBJOF-BZPMIXESSA-N 0 0 303.424 0.821 10 0 DCAERN CC(C)C(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000064578916 395988400 /nfs/dbraw/zinc/98/84/00/395988400.db2.gz BWIICIDEEBRNIN-UHFFFAOYSA-N 0 0 315.377 0.633 10 0 DCAERN CC(C)C[C@H](CO)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248469224 395988935 /nfs/dbraw/zinc/98/89/35/395988935.db2.gz GXQWYPIYXQMKJA-FRRDWIJNSA-N 0 0 308.444 0.679 10 0 DCAERN NC(=O)[C@@]1(O)CCN(C(=O)c2sccc2Br)C1 ZINC000276305232 395989598 /nfs/dbraw/zinc/98/95/98/395989598.db2.gz BVAKCJRRXRZORV-SNVBAGLBSA-N 0 0 319.180 0.573 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)NCCc1nnc2n1CCC2 ZINC000065011277 395990584 /nfs/dbraw/zinc/99/05/84/395990584.db2.gz OHEIHQSKMUIEEV-GFCCVEGCSA-N 0 0 319.409 0.674 10 0 DCAERN COCCN1CCN(C(=O)COc2ccccc2O)C[C@@H]1C ZINC000151751748 395992536 /nfs/dbraw/zinc/99/25/36/395992536.db2.gz QTQQRUKAYWSINB-ZDUSSCGKSA-N 0 0 308.378 0.950 10 0 DCAERN COC(=O)CCCS(=O)(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000252660606 396024349 /nfs/dbraw/zinc/02/43/49/396024349.db2.gz BDQCTIIXZWSPHT-OLZOCXBDSA-N 0 0 318.439 0.828 10 0 DCAERN O=S(=O)(c1cncc(F)c1)N1CCNC[C@H]1c1cccnc1 ZINC000261837627 396071288 /nfs/dbraw/zinc/07/12/88/396071288.db2.gz ZLCMJTTUEAAEEC-AWEZNQCLSA-N 0 0 322.365 0.951 10 0 DCAERN COCCS(=O)(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253395670 396026326 /nfs/dbraw/zinc/02/63/26/396026326.db2.gz ZRQYTHSVXXFAPY-OLZOCXBDSA-N 0 0 303.355 0.910 10 0 DCAERN COCCOCCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000154007486 396029078 /nfs/dbraw/zinc/02/90/78/396029078.db2.gz LPYGQSCUYNFVGV-ZDUSSCGKSA-N 0 0 310.398 0.558 10 0 DCAERN CC1(C)CN([C@@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000155341442 396050162 /nfs/dbraw/zinc/05/01/62/396050162.db2.gz MYOXPURELNAKGH-GFCCVEGCSA-N 0 0 314.382 0.861 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261856514 396072736 /nfs/dbraw/zinc/07/27/36/396072736.db2.gz WAXQGGBENRIUQC-CYBMUJFWSA-N 0 0 311.407 0.378 10 0 DCAERN CC[C@H](NC(=O)[C@H](C)C1CCOCC1)C(=O)N1CCOCC1 ZINC000155600689 396054971 /nfs/dbraw/zinc/05/49/71/396054971.db2.gz PHWLTICRLHPFKX-OCCSQVGLSA-N 0 0 312.410 0.803 10 0 DCAERN COc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000155695372 396056797 /nfs/dbraw/zinc/05/67/97/396056797.db2.gz CEMAPDYTMVHSBP-NSHDSACASA-N 0 0 312.391 0.753 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(CCCS(=O)(=O)N(C)C)[C@H]2C1 ZINC000157891156 396064029 /nfs/dbraw/zinc/06/40/29/396064029.db2.gz KELQERNVUZDBMT-RDBSUJKOSA-N 0 0 320.455 0.536 10 0 DCAERN Cc1oc(-c2ccco2)nc1CC(=O)N[C@H]1CCC(=O)NC1=O ZINC000152220227 396003297 /nfs/dbraw/zinc/00/32/97/396003297.db2.gz HZQMWYOPIAEHAL-VIFPVBQESA-N 0 0 317.301 0.707 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C1=NNC(=O)CC1 ZINC000152241512 396003347 /nfs/dbraw/zinc/00/33/47/396003347.db2.gz CTHSHUOQDWDVML-VIFPVBQESA-N 0 0 304.354 0.619 10 0 DCAERN C[C@H](NC(=O)CN1CC[C@H](Oc2cccnc2)C1)C(=O)N(C)C ZINC000152230886 396003413 /nfs/dbraw/zinc/00/34/13/396003413.db2.gz APANJEDDARVOEZ-JSGCOSHPSA-N 0 0 320.393 0.128 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc2c(c1)COC2 ZINC000069113100 396070137 /nfs/dbraw/zinc/07/01/37/396070137.db2.gz QTXZYIMXXWSGEF-QWRGUYRKSA-N 0 0 324.402 0.991 10 0 DCAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000249387235 396007630 /nfs/dbraw/zinc/00/76/30/396007630.db2.gz XFUVCMYIFXMNOI-OPRDCNLKSA-N 0 0 307.375 0.906 10 0 DCAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000249387231 396007634 /nfs/dbraw/zinc/00/76/34/396007634.db2.gz XFUVCMYIFXMNOI-BBBLOLIVSA-N 0 0 307.375 0.906 10 0 DCAERN O=C(CN1CCOC[C@]12CCOC2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000249607152 396010172 /nfs/dbraw/zinc/01/01/72/396010172.db2.gz RLEKOCPAYZRXIT-ZMSDIMECSA-N 0 0 324.421 0.648 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)c1C ZINC000152504461 396010477 /nfs/dbraw/zinc/01/04/77/396010477.db2.gz GVMMBDTULMQIER-QWHCGFSZSA-N 0 0 305.378 0.989 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1C[C@H](C)O ZINC000251612230 396016353 /nfs/dbraw/zinc/01/63/53/396016353.db2.gz GFPLQUZEUFQRAN-UONOGXRCSA-N 0 0 324.425 0.447 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H](O)C1(C)C)CC2 ZINC000251904421 396018509 /nfs/dbraw/zinc/01/85/09/396018509.db2.gz SYIRGTAZFFCWLL-OUAUKWLOSA-N 0 0 307.398 0.614 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)C1 ZINC000277792146 396087513 /nfs/dbraw/zinc/08/75/13/396087513.db2.gz VMLZYBXYHFBPTG-CQSZACIVSA-N 0 0 319.409 0.292 10 0 DCAERN COCCCNC(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169783053 396091797 /nfs/dbraw/zinc/09/17/97/396091797.db2.gz KAFOXKXOGXOJDH-UHFFFAOYSA-N 0 0 323.397 0.059 10 0 DCAERN COCCn1ncc(N2CC[C@H](C(=O)NCC(C)C)C2)cc1=O ZINC000169785491 396092767 /nfs/dbraw/zinc/09/27/67/396092767.db2.gz JRXXBOFLVIICJR-ZDUSSCGKSA-N 0 0 322.409 0.488 10 0 DCAERN Cc1nnc([C@@H]2COCCN2C(=O)C(=O)N2CCC(C)CC2)o1 ZINC000277902747 396093637 /nfs/dbraw/zinc/09/36/37/396093637.db2.gz GVXKAQUFMNKROE-LBPRGKRZSA-N 0 0 322.365 0.536 10 0 DCAERN CN(CCN1CCOCC1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000170716705 396097143 /nfs/dbraw/zinc/09/71/43/396097143.db2.gz NUBXHLQVKCKISR-UHFFFAOYSA-N 0 0 316.361 0.327 10 0 DCAERN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N1CCC1 ZINC000069981856 396097440 /nfs/dbraw/zinc/09/74/40/396097440.db2.gz AUJCEKMXVDQNKB-OAHLLOKOSA-N 0 0 313.357 0.694 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cn[nH]c1 ZINC000070229463 396100616 /nfs/dbraw/zinc/10/06/16/396100616.db2.gz MMHWAQUMDGSMLG-GFCCVEGCSA-N 0 0 314.411 0.572 10 0 DCAERN O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CC[NH+]1CCCCC1)c2=O ZINC000070460612 396101921 /nfs/dbraw/zinc/10/19/21/396101921.db2.gz DSDACAMHFQESQK-UHFFFAOYSA-N 0 0 317.345 0.874 10 0 DCAERN COCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(C(C)C)n1 ZINC000070456664 396102146 /nfs/dbraw/zinc/10/21/46/396102146.db2.gz VLKHUSFSQPEMAO-UHFFFAOYSA-N 0 0 308.382 0.953 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)n1 ZINC000171030876 396103708 /nfs/dbraw/zinc/10/37/08/396103708.db2.gz ROPBBNVPYCRVAW-CMPLNLGQSA-N 0 0 304.350 0.467 10 0 DCAERN CO[C@H](C)c1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000171056286 396105252 /nfs/dbraw/zinc/10/52/52/396105252.db2.gz NUPRVPYIDOCXML-SNVBAGLBSA-N 0 0 303.318 0.883 10 0 DCAERN Cc1nc(C[C@H]2CCCN(CC(=O)NC3CCOCC3)C2)no1 ZINC000171139017 396108880 /nfs/dbraw/zinc/10/88/80/396108880.db2.gz KEFYELRGDOQPHT-CYBMUJFWSA-N 0 0 322.409 0.928 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)CCO1 ZINC000171351683 396114972 /nfs/dbraw/zinc/11/49/72/396114972.db2.gz JVIRHWHJRLLVEV-TZMCWYRMSA-N 0 0 304.346 0.910 10 0 DCAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 ZINC000171367608 396115252 /nfs/dbraw/zinc/11/52/52/396115252.db2.gz SRKJQWRTSMIUCR-RYUDHWBXSA-N 0 0 300.318 0.693 10 0 DCAERN Cc1cc(-c2nnn(C[C@@H](O)CN3CCOCC3)n2)ccc1F ZINC000071841215 396118939 /nfs/dbraw/zinc/11/89/39/396118939.db2.gz BEDPNPFBKPHVED-ZDUSSCGKSA-N 0 0 321.356 0.481 10 0 DCAERN Cn1c(CNC(=O)NC[C@H]2CN(C)CCO2)nc2ccccc21 ZINC000171594643 396119953 /nfs/dbraw/zinc/11/99/53/396119953.db2.gz FFSONRKYTXJIAC-LBPRGKRZSA-N 0 0 317.393 0.703 10 0 DCAERN C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171661797 396121501 /nfs/dbraw/zinc/12/15/01/396121501.db2.gz ARTGGYYHLBRNPI-YPMHNXCESA-N 0 0 317.349 0.853 10 0 DCAERN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000172352594 396130949 /nfs/dbraw/zinc/13/09/49/396130949.db2.gz LAUUJJWZCMRVTH-GXTWGEPZSA-N 0 0 324.425 0.160 10 0 DCAERN CC[C@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)N1CCCC1=O ZINC000173591357 396135342 /nfs/dbraw/zinc/13/53/42/396135342.db2.gz CMILBYORGOVMGS-UONOGXRCSA-N 0 0 309.410 0.367 10 0 DCAERN Cn1ccc(N2CCC[C@H](N3CCN(C4CC4)CC3)C2=O)n1 ZINC000173579264 396135726 /nfs/dbraw/zinc/13/57/26/396135726.db2.gz WBSFLFCBBBANHM-AWEZNQCLSA-N 0 0 303.410 0.696 10 0 DCAERN Cc1nc(CNC(=O)NCCCN2CCCCCC2=O)no1 ZINC000174516586 396138641 /nfs/dbraw/zinc/13/86/41/396138641.db2.gz RXIRYIYIFYKONR-UHFFFAOYSA-N 0 0 309.370 0.970 10 0 DCAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263232480 396207525 /nfs/dbraw/zinc/20/75/25/396207525.db2.gz NNXRBONICHIOJZ-MNOVXSKESA-N 0 0 303.353 0.747 10 0 DCAERN C[C@H](COCc1ccccc1)NC(=O)NCC1(CO)COC1 ZINC000178877991 396212865 /nfs/dbraw/zinc/21/28/65/396212865.db2.gz FIUOAICGSJTPCC-CYBMUJFWSA-N 0 0 308.378 0.900 10 0 DCAERN C[C@H]1C[C@@H]1NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000176068635 396148719 /nfs/dbraw/zinc/14/87/19/396148719.db2.gz PAXMWWQCBWQSSQ-JQWIXIFHSA-N 0 0 307.354 0.272 10 0 DCAERN Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CCCn3ncnc31)c2=O ZINC000176133742 396150750 /nfs/dbraw/zinc/15/07/50/396150750.db2.gz HCYLQCPJRVSRLE-GFCCVEGCSA-N 0 0 324.344 0.859 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)N1CCc2ccccc21 ZINC000176658440 396158840 /nfs/dbraw/zinc/15/88/40/396158840.db2.gz PTCFTPCDXQEETL-AWEZNQCLSA-N 0 0 305.378 0.452 10 0 DCAERN O=C(NC[C@@]1(O)CCSC1)c1nc2ccccc2c(=O)[nH]1 ZINC000177057869 396165521 /nfs/dbraw/zinc/16/55/21/396165521.db2.gz YGUKFFIYNWMZEY-AWEZNQCLSA-N 0 0 305.359 0.521 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cncc(C)c2)CC1 ZINC000177275357 396170805 /nfs/dbraw/zinc/17/08/05/396170805.db2.gz SWLZISVBOYVRNC-AWEZNQCLSA-N 0 0 320.393 0.244 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nn1 ZINC000074750614 396171496 /nfs/dbraw/zinc/17/14/96/396171496.db2.gz ORJWHUOKGGXBAL-GFCCVEGCSA-N 0 0 317.393 0.675 10 0 DCAERN O=C(CCNC(=O)N[C@@H]1CCCn2ncnc21)N1CCCCC1 ZINC000177314660 396172196 /nfs/dbraw/zinc/17/21/96/396172196.db2.gz NTINYEWREDTICK-GFCCVEGCSA-N 0 0 320.397 0.815 10 0 DCAERN COc1cc(C(=O)NC[C@@H]2CCC(=O)N2)cc(OC)c1OC ZINC000074853099 396173089 /nfs/dbraw/zinc/17/30/89/396173089.db2.gz DKWHIBOHTCKMRV-JTQLQIEISA-N 0 0 308.334 0.721 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000263281712 396210982 /nfs/dbraw/zinc/21/09/82/396210982.db2.gz UJHZKWVQFXMGDP-VXGBXAGGSA-N 0 0 303.353 0.164 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000177545271 396178245 /nfs/dbraw/zinc/17/82/45/396178245.db2.gz SZCMORPKZHUBFT-WDEREUQCSA-N 0 0 306.366 0.646 10 0 DCAERN CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000177560359 396178795 /nfs/dbraw/zinc/17/87/95/396178795.db2.gz LLGZZXSHAMQDOK-SSDOTTSWSA-N 0 0 322.818 0.385 10 0 DCAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)cn1 ZINC000177614214 396179687 /nfs/dbraw/zinc/17/96/87/396179687.db2.gz UOTPWDNVIANMEA-WCQYABFASA-N 0 0 317.393 0.682 10 0 DCAERN O=C(NCc1ccn2ccnc2c1)N[C@H]1CCc2ncnn2C1 ZINC000177628552 396180396 /nfs/dbraw/zinc/18/03/96/396180396.db2.gz FKYGCRHBYJFQJP-LBPRGKRZSA-N 0 0 311.349 0.740 10 0 DCAERN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000075525211 396181055 /nfs/dbraw/zinc/18/10/55/396181055.db2.gz RLZQDJUIJXDNFH-GXSJLCMTSA-N 0 0 313.379 0.174 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C)CC1 ZINC000075656224 396184195 /nfs/dbraw/zinc/18/41/95/396184195.db2.gz IOVDFBIUKGNVBY-ZDUSSCGKSA-N 0 0 317.455 0.906 10 0 DCAERN C[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)[C@H](C)CO ZINC000177807189 396184828 /nfs/dbraw/zinc/18/48/28/396184828.db2.gz PRILNOWHKWLVGN-NXEZZACHSA-N 0 0 318.333 0.808 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177951602 396186813 /nfs/dbraw/zinc/18/68/13/396186813.db2.gz QACTYHOXGJLUCH-ZDUSSCGKSA-N 0 0 303.366 0.464 10 0 DCAERN CS(=O)(=O)NCCC(=O)Nc1cncc(Br)c1 ZINC000178874413 396212997 /nfs/dbraw/zinc/21/29/97/396212997.db2.gz JGNNSSLTFPCESW-UHFFFAOYSA-N 0 0 322.184 0.722 10 0 DCAERN CCn1c(C)nnc1CSc1nnc(-c2cc(C)[nH]n2)n1N ZINC000178322291 396194305 /nfs/dbraw/zinc/19/43/05/396194305.db2.gz FAMLBKDNKZVYNM-UHFFFAOYSA-N 0 0 319.398 0.903 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCCc2ccccn2)cn1 ZINC000178423300 396195877 /nfs/dbraw/zinc/19/58/77/396195877.db2.gz NPSVVPXEOKQVRW-UHFFFAOYSA-N 0 0 316.365 0.778 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)[nH]n2)o1 ZINC000178564998 396199243 /nfs/dbraw/zinc/19/92/43/396199243.db2.gz WGMJLVCYTQOVGK-MRVPVSSYSA-N 0 0 302.290 0.513 10 0 DCAERN CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000178564240 396199472 /nfs/dbraw/zinc/19/94/72/396199472.db2.gz ROUNLTZWPXVWIV-LLVKDONJSA-N 0 0 314.345 0.520 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)C1 ZINC000076315113 396201557 /nfs/dbraw/zinc/20/15/57/396201557.db2.gz KFJGTGRJOQQMDF-GRYCIOLGSA-N 0 0 324.468 0.471 10 0 DCAERN NC(=O)NC(=O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397915 396203308 /nfs/dbraw/zinc/20/33/08/396203308.db2.gz BDHZFHQEWVKEPU-JTQLQIEISA-N 0 0 302.338 0.104 10 0 DCAERN CN1CC[NH2+]C[C@H]1c1noc(CNC(=O)C2CCCCC2)n1 ZINC000263161247 396203532 /nfs/dbraw/zinc/20/35/32/396203532.db2.gz DUMVWEHWFGNDOI-LBPRGKRZSA-N 0 0 307.398 0.842 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CC(F)(F)CN2)c1CC ZINC000263164803 396204298 /nfs/dbraw/zinc/20/42/98/396204298.db2.gz FCOOCTRYALWUFC-NSHDSACASA-N 0 0 314.336 0.508 10 0 DCAERN CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2ccccn2)cn1C ZINC000181052460 396236426 /nfs/dbraw/zinc/23/64/26/396236426.db2.gz BYAVNGHDOXWPNU-UHFFFAOYSA-N 0 0 322.390 0.947 10 0 DCAERN Cc1ccc(C(=O)N(C)C[C@H]2CCCO2)cc1S(N)(=O)=O ZINC000077985857 396237866 /nfs/dbraw/zinc/23/78/66/396237866.db2.gz CBXRBADXVXJPEH-GFCCVEGCSA-N 0 0 312.391 0.893 10 0 DCAERN O=C(CCN1C(=O)CCC1=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000077990974 396238170 /nfs/dbraw/zinc/23/81/70/396238170.db2.gz DACSNKMZOBUAJT-NSHDSACASA-N 0 0 308.256 0.051 10 0 DCAERN Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cccnc2)cn1 ZINC000181698565 396241286 /nfs/dbraw/zinc/24/12/86/396241286.db2.gz YVAOASAFJADOHD-CYBMUJFWSA-N 0 0 307.379 0.150 10 0 DCAERN C[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)CC(=O)N1C ZINC000282331915 396281469 /nfs/dbraw/zinc/28/14/69/396281469.db2.gz KLEZAQSLDZLBPK-SECBINFHSA-N 0 0 300.318 0.226 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)Cn1nnnc1C(C)C ZINC000182219254 396248121 /nfs/dbraw/zinc/24/81/21/396248121.db2.gz DSCJYGBUXHEJLW-UHFFFAOYSA-N 0 0 319.413 0.896 10 0 DCAERN CCc1nnc2ccc(N3CCC[C@]4(CNC(=O)C4)C3)nn21 ZINC000078568242 396248555 /nfs/dbraw/zinc/24/85/55/396248555.db2.gz AZOVMEBLCTVHPU-HNNXBMFYSA-N 0 0 300.366 0.793 10 0 DCAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCOCC1 ZINC000182408791 396250575 /nfs/dbraw/zinc/25/05/75/396250575.db2.gz ULHXLSCVSZQTIV-CYBMUJFWSA-N 0 0 304.350 0.619 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1cnc2c(cnn2C)c1OC ZINC000182505641 396251504 /nfs/dbraw/zinc/25/15/04/396251504.db2.gz UXQJFUABUGMZIR-VIFPVBQESA-N 0 0 319.365 0.431 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)NCCCn2ccnn2)CCCC1 ZINC000182679715 396252467 /nfs/dbraw/zinc/25/24/67/396252467.db2.gz HJCMEKDMXYDVNG-UHFFFAOYSA-N 0 0 322.413 0.616 10 0 DCAERN COc1ccnc(N2CCN(C(=O)NC[C@H]3C[C@H]3C)CC2)n1 ZINC000264108169 396255561 /nfs/dbraw/zinc/25/55/61/396255561.db2.gz MAUPRINPAGPVEK-VXGBXAGGSA-N 0 0 305.382 0.973 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)NCCCn2ccnn2)NC1=O ZINC000182986187 396258418 /nfs/dbraw/zinc/25/84/18/396258418.db2.gz OYDBDBKNMNTAIQ-JTQLQIEISA-N 0 0 315.333 0.818 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282071068 396260261 /nfs/dbraw/zinc/26/02/61/396260261.db2.gz ZAYGXRIHPYSZQI-MNOVXSKESA-N 0 0 320.397 0.548 10 0 DCAERN O=S(=O)(NCCCn1ccnn1)c1ccc2c(c1)CCO2 ZINC000183168923 396264189 /nfs/dbraw/zinc/26/41/89/396264189.db2.gz XTLHJVNGPALWIK-UHFFFAOYSA-N 0 0 308.363 0.582 10 0 DCAERN Cn1c(COc2cccc(C(=O)NCCO)c2)nnc1C1CC1 ZINC000183257922 396265567 /nfs/dbraw/zinc/26/55/67/396265567.db2.gz PQTMDGAZGAEPIV-UHFFFAOYSA-N 0 0 316.361 0.994 10 0 DCAERN CNC(=O)c1cccc(CNC(=O)NCCCn2ccnn2)c1 ZINC000183566581 396270915 /nfs/dbraw/zinc/27/09/15/396270915.db2.gz ZQBQHBSBEMVQGK-UHFFFAOYSA-N 0 0 316.365 0.527 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)NCCCn2ccnn2)C1 ZINC000183518689 396271055 /nfs/dbraw/zinc/27/10/55/396271055.db2.gz PDEFCQUTBBPUPT-ZDUSSCGKSA-N 0 0 322.413 0.616 10 0 DCAERN C[C@@H](C(=O)N1CCNC(=O)CC1)n1nnc(-c2ccccc2)n1 ZINC000079999491 396273646 /nfs/dbraw/zinc/27/36/46/396273646.db2.gz XPFMXZIFQJLSJP-NSHDSACASA-N 0 0 314.349 0.250 10 0 DCAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCNC(=O)CC1 ZINC000079999383 396273892 /nfs/dbraw/zinc/27/38/92/396273892.db2.gz ZVSYHMCZPPYSRD-UHFFFAOYSA-N 0 0 314.345 0.246 10 0 DCAERN COC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)c(C)c1 ZINC000183784048 396274600 /nfs/dbraw/zinc/27/46/00/396274600.db2.gz DBVODMFHOCIVQA-GXFFZTMASA-N 0 0 308.309 0.601 10 0 DCAERN COC(=O)CNC(=O)[C@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183814884 396276043 /nfs/dbraw/zinc/27/60/43/396276043.db2.gz YVIADUSAVPSZCT-ZDUSSCGKSA-N 0 0 320.393 0.271 10 0 DCAERN C[C@H]([C@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1)S(C)(=O)=O ZINC000183970073 396279155 /nfs/dbraw/zinc/27/91/55/396279155.db2.gz YPIZFDUNDDWGFE-VHSXEESVSA-N 0 0 324.406 0.862 10 0 DCAERN NS(=O)(=O)CCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178901061 396213598 /nfs/dbraw/zinc/21/35/98/396213598.db2.gz DQHHEAHFYPKDFE-MFKMUULPSA-N 0 0 320.361 0.751 10 0 DCAERN C[C@@H](O)CCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000178906468 396213792 /nfs/dbraw/zinc/21/37/92/396213792.db2.gz DBWMYORRJISRIH-SNVBAGLBSA-N 0 0 300.380 0.438 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)CNC(=O)c1ccccn1 ZINC000178931553 396215391 /nfs/dbraw/zinc/21/53/91/396215391.db2.gz KKLXPSXMNRBHED-UHFFFAOYSA-N 0 0 315.377 0.865 10 0 DCAERN C[C@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(N)=O ZINC000178960978 396217179 /nfs/dbraw/zinc/21/71/79/396217179.db2.gz PJVYTEPOKQXCGL-YFKPBYRVSA-N 0 0 317.143 0.143 10 0 DCAERN CN(C)CCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000179212831 396225042 /nfs/dbraw/zinc/22/50/42/396225042.db2.gz ANGOWZXMCKQAGQ-GFCCVEGCSA-N 0 0 311.407 0.766 10 0 DCAERN CCCC[C@@H](NC(N)=O)C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000179397950 396226725 /nfs/dbraw/zinc/22/67/25/396226725.db2.gz VIKXZDHRCNGBCF-CHWSQXEVSA-N 0 0 314.430 0.129 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)NCCNC(=O)N(C)C ZINC000180618463 396233831 /nfs/dbraw/zinc/23/38/31/396233831.db2.gz LOQNFUIZGUCPPM-UHFFFAOYSA-N 0 0 306.366 0.112 10 0 DCAERN COC(=O)C[C@H]1CN(Cc2cc(-c3cnn(C)c3)no2)CCO1 ZINC000185019361 396313997 /nfs/dbraw/zinc/31/39/97/396313997.db2.gz YJAXGVDLFPTIJC-LBPRGKRZSA-N 0 0 320.349 0.839 10 0 DCAERN Cc1nccn1C[C@H](C)CNC(=O)NCCCn1ccnn1 ZINC000185002873 396314053 /nfs/dbraw/zinc/31/40/53/396314053.db2.gz XUEQBNHPSPIFTJ-GFCCVEGCSA-N 0 0 305.386 0.809 10 0 DCAERN O=C(CCn1cncn1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000185031296 396315363 /nfs/dbraw/zinc/31/53/63/396315363.db2.gz TXWFUNJTHWISFG-ZDUSSCGKSA-N 0 0 314.349 0.375 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCCc2cnn(C)c2)CC1 ZINC000185046412 396315435 /nfs/dbraw/zinc/31/54/35/396315435.db2.gz SBYOGZGBYJAWRN-OAHLLOKOSA-N 0 0 323.441 0.451 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000185091332 396317546 /nfs/dbraw/zinc/31/75/46/396317546.db2.gz HSUXGFNSTVVMEB-AWEZNQCLSA-N 0 0 308.378 0.182 10 0 DCAERN COCC(=O)NC1CN(C[C@H](O)COc2c(C)cccc2C)C1 ZINC000185093196 396317994 /nfs/dbraw/zinc/31/79/94/396317994.db2.gz NMIOHBWVHSXINB-HNNXBMFYSA-N 0 0 322.405 0.490 10 0 DCAERN Cc1ccc(CS(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1F ZINC000184128519 396286126 /nfs/dbraw/zinc/28/61/26/396286126.db2.gz LKYNOECAHQQJSD-CYBMUJFWSA-N 0 0 316.398 0.884 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184176500 396287344 /nfs/dbraw/zinc/28/73/44/396287344.db2.gz AEPWPNIYOZAAIM-UHFFFAOYSA-N 0 0 313.317 0.224 10 0 DCAERN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CC(CO)C1 ZINC000184233701 396288082 /nfs/dbraw/zinc/28/80/82/396288082.db2.gz ZPMWEXGENRKBAE-MRXNPFEDSA-N 0 0 304.390 0.728 10 0 DCAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(CO)C2)c1 ZINC000184231381 396288561 /nfs/dbraw/zinc/28/85/61/396288561.db2.gz IBICFZFFCLQPNV-UHFFFAOYSA-N 0 0 318.782 0.312 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184336678 396291157 /nfs/dbraw/zinc/29/11/57/396291157.db2.gz IFBYMSVKPLJEFR-UHFFFAOYSA-N 0 0 317.436 0.983 10 0 DCAERN COc1cc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)ncn1 ZINC000184320433 396291503 /nfs/dbraw/zinc/29/15/03/396291503.db2.gz ALVIJNHICQHNHI-GFCCVEGCSA-N 0 0 308.382 0.541 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCC(=O)Nc1cccc(F)c1 ZINC000184412640 396293998 /nfs/dbraw/zinc/29/39/98/396293998.db2.gz FNICRAFEXQJRAL-BXKDBHETSA-N 0 0 316.354 0.861 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)c2ccn(C)c(=O)c2)CC1(C)C ZINC000081241384 396294957 /nfs/dbraw/zinc/29/49/57/396294957.db2.gz DRDSQPGRCVMXPS-UHFFFAOYSA-N 0 0 305.378 0.857 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)NCc1ccc(C(N)=O)o1 ZINC000184474705 396296780 /nfs/dbraw/zinc/29/67/80/396296780.db2.gz DGNNAKCGMOCTMC-LBPRGKRZSA-N 0 0 309.366 0.496 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N(C)[C@H](CO)CC(C)C)co1 ZINC000184553575 396298246 /nfs/dbraw/zinc/29/82/46/396298246.db2.gz QTZNJPKGANLGPW-NSHDSACASA-N 0 0 318.395 0.667 10 0 DCAERN Cc1nc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(-c2ccccc2)o1 ZINC000184569553 396299689 /nfs/dbraw/zinc/29/96/89/396299689.db2.gz WYWCXVQNWZJRRX-GFCCVEGCSA-N 0 0 315.329 0.976 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(OC)nc2)CC1 ZINC000184770059 396305534 /nfs/dbraw/zinc/30/55/34/396305534.db2.gz RESIWNCUQXKGMW-CQSZACIVSA-N 0 0 322.409 0.688 10 0 DCAERN C[C@@H](O)[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000184794608 396306115 /nfs/dbraw/zinc/30/61/15/396306115.db2.gz HOCRUMJAAVQHIH-TZMCWYRMSA-N 0 0 305.378 0.829 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000081826297 396309129 /nfs/dbraw/zinc/30/91/29/396309129.db2.gz IXWTUTMUKNFPQF-RKDXNWHRSA-N 0 0 316.354 0.723 10 0 DCAERN Cn1nnc2ccc(C(=O)NCCCN3C(=O)CCC3=O)cc21 ZINC000185198284 396321229 /nfs/dbraw/zinc/32/12/29/396321229.db2.gz QQYCHEKLIDHXOM-UHFFFAOYSA-N 0 0 315.333 0.237 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000185465587 396328174 /nfs/dbraw/zinc/32/81/74/396328174.db2.gz QSROEOWGKCFIGW-GFCCVEGCSA-N 0 0 305.444 0.101 10 0 DCAERN CCCn1nccc1NC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000185229701 396322263 /nfs/dbraw/zinc/32/22/63/396322263.db2.gz LCWKXRMOYBOLMZ-UHFFFAOYSA-N 0 0 323.378 0.849 10 0 DCAERN CN(C)c1noc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000185239201 396322325 /nfs/dbraw/zinc/32/23/25/396322325.db2.gz JUYWIUKXKNYCAJ-LBPRGKRZSA-N 0 0 323.397 0.206 10 0 DCAERN C/C=C/C[C@H](CO)NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000185269769 396323714 /nfs/dbraw/zinc/32/37/14/396323714.db2.gz NBQKQOSOKLRZJZ-XNPJLODASA-N 0 0 307.803 0.987 10 0 DCAERN CC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccncc1 ZINC000185507454 396329479 /nfs/dbraw/zinc/32/94/79/396329479.db2.gz KBBJYWGEVROFOX-ZDUSSCGKSA-N 0 0 306.366 0.689 10 0 DCAERN CNC(=O)CC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000185890651 396336496 /nfs/dbraw/zinc/33/64/96/396336496.db2.gz FDQYBHKPOAJDIC-UHFFFAOYSA-N 0 0 301.350 0.636 10 0 DCAERN Cn1cc(CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cn1 ZINC000186197942 396344239 /nfs/dbraw/zinc/34/42/39/396344239.db2.gz MUTDTTOYFWSKHQ-UHFFFAOYSA-N 0 0 314.393 0.912 10 0 DCAERN CNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC000186196707 396344301 /nfs/dbraw/zinc/34/43/01/396344301.db2.gz LBTHKKLOOMELEM-LBPRGKRZSA-N 0 0 315.373 0.552 10 0 DCAERN O=S(=O)(c1cccc(F)c1)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284356974 396344775 /nfs/dbraw/zinc/34/47/75/396344775.db2.gz CDJSOPUVRMCVGS-GFCCVEGCSA-N 0 0 312.326 0.226 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000284369655 396344928 /nfs/dbraw/zinc/34/49/28/396344928.db2.gz BWVLEGVUKUTBCY-VHSXEESVSA-N 0 0 307.318 0.735 10 0 DCAERN COCCn1cc(N[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)cn1 ZINC000186226604 396345468 /nfs/dbraw/zinc/34/54/68/396345468.db2.gz IQHBRXBVIAIGJB-NSHDSACASA-N 0 0 323.397 0.067 10 0 DCAERN CC(C)OC[C@@H](O)CNc1ccc(-n2ncn(C)c2=O)cc1 ZINC000186078849 396340881 /nfs/dbraw/zinc/34/08/81/396340881.db2.gz WCPYVCCBXWYRAV-AWEZNQCLSA-N 0 0 306.366 0.769 10 0 DCAERN O=C(c1ccc(-n2ccnn2)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC000186102952 396341262 /nfs/dbraw/zinc/34/12/62/396341262.db2.gz RNCYUYUFOZEMQM-INIZCTEOSA-N 0 0 314.345 0.899 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCO[C@]2(CCOC2)C1 ZINC000186097329 396341348 /nfs/dbraw/zinc/34/13/48/396341348.db2.gz JDSXGHKHJWSTKT-MRXNPFEDSA-N 0 0 317.345 0.348 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000186185647 396343905 /nfs/dbraw/zinc/34/39/05/396343905.db2.gz BYFGIQWNJBGFJX-QWRGUYRKSA-N 0 0 308.382 0.683 10 0 DCAERN Cc1cc(N2CCN(C(=O)Nc3ccc(=O)n(C)c3)CC2)n[nH]1 ZINC000187800629 396374259 /nfs/dbraw/zinc/37/42/59/396374259.db2.gz ZMYVNALAPXPSNU-UHFFFAOYSA-N 0 0 316.365 0.771 10 0 DCAERN Cc1ccc(CN(C)C(=O)c2ccnc(S(N)(=O)=O)c2)o1 ZINC000186744737 396356836 /nfs/dbraw/zinc/35/68/36/396356836.db2.gz CZDZRUVPMPQXAP-UHFFFAOYSA-N 0 0 309.347 0.903 10 0 DCAERN CC(C)(C)[S@@](=O)CCNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187140180 396363700 /nfs/dbraw/zinc/36/37/00/396363700.db2.gz VDPTUTJWKZTEFQ-NRFANRHFSA-N 0 0 315.439 0.454 10 0 DCAERN Cc1cc(NC(=O)CN2CCN(c3cc(C)[nH]n3)CC2)n(C)n1 ZINC000187259355 396365753 /nfs/dbraw/zinc/36/57/53/396365753.db2.gz BFIDQLAJFYSPOX-UHFFFAOYSA-N 0 0 317.397 0.521 10 0 DCAERN Cc1nc2ccc(NCC(C)(C)N3CCS(=O)CC3)nn2n1 ZINC000286015173 396369535 /nfs/dbraw/zinc/36/95/35/396369535.db2.gz AAQJKPARQGQHAD-UHFFFAOYSA-N 0 0 322.438 0.688 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000285365749 396349508 /nfs/dbraw/zinc/34/95/08/396349508.db2.gz FCLPSFXRNTZOEO-LRDDRELGSA-N 0 0 304.346 0.077 10 0 DCAERN COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186445100 396350021 /nfs/dbraw/zinc/35/00/21/396350021.db2.gz IXHGSMYVYRARQH-OLZOCXBDSA-N 0 0 303.362 0.929 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000188456687 396382330 /nfs/dbraw/zinc/38/23/30/396382330.db2.gz MMXUIRUEBZBPOI-HNNXBMFYSA-N 0 0 315.373 0.777 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000188571357 396383643 /nfs/dbraw/zinc/38/36/43/396383643.db2.gz TYIKNSXOEMLHNH-LBPRGKRZSA-N 0 0 322.796 0.908 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CCN1CCO ZINC000188794732 396386282 /nfs/dbraw/zinc/38/62/82/396386282.db2.gz DNFMGKLJFBGEBU-DMZKTXOQSA-N 0 0 324.446 0.704 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@@](C)(O)Cc3ccccc3)C[C@@H]21 ZINC000286297766 396386283 /nfs/dbraw/zinc/38/62/83/396386283.db2.gz HVLAVZGTTODSED-JZXOWHBKSA-N 0 0 318.417 0.912 10 0 DCAERN COC(=O)Cc1cccc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000188815915 396387496 /nfs/dbraw/zinc/38/74/96/396387496.db2.gz PVNWVLGWSSVZDV-CQSZACIVSA-N 0 0 306.362 0.463 10 0 DCAERN COCCN1CCCN(C(=O)c2ccc3nccn3c2)CC1=O ZINC000189056338 396390649 /nfs/dbraw/zinc/39/06/49/396390649.db2.gz ADGMXPKRDQBXRG-UHFFFAOYSA-N 0 0 316.361 0.655 10 0 DCAERN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCO[C@H](CO)C1 ZINC000269160722 396390786 /nfs/dbraw/zinc/39/07/86/396390786.db2.gz XTWNLEKCJYMRRB-CMPLNLGQSA-N 0 0 308.309 0.471 10 0 DCAERN O=C(Cn1cnnn1)NCCN1CCc2c(Cl)cccc2C1 ZINC000189127749 396391262 /nfs/dbraw/zinc/39/12/62/396391262.db2.gz QARZWTTUUJABFY-UHFFFAOYSA-N 0 0 320.784 0.501 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)CN2CCCNC(=O)[C@H]2C)c1C ZINC000189327298 396394339 /nfs/dbraw/zinc/39/43/39/396394339.db2.gz IMNXXKBFFTVBMZ-LLVKDONJSA-N 0 0 321.377 0.811 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189384227 396394549 /nfs/dbraw/zinc/39/45/49/396394549.db2.gz WCKZOGHXNVRNKX-UHFFFAOYSA-N 0 0 318.439 0.876 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)n[nH]1 ZINC000189718731 396397672 /nfs/dbraw/zinc/39/76/72/396397672.db2.gz NCBGMYPJOJKXIU-UHFFFAOYSA-N 0 0 301.350 0.677 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H]2CO)cc1 ZINC000189705715 396397857 /nfs/dbraw/zinc/39/78/57/396397857.db2.gz XEAFBSJOYJXIHS-ZWNOBZJWSA-N 0 0 312.391 0.438 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCN(C)C(=O)C1 ZINC000189784852 396399723 /nfs/dbraw/zinc/39/97/23/396399723.db2.gz NVBAVUZZXPGOIX-LLVKDONJSA-N 0 0 306.410 0.906 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccn(CCOC)n2)C[C@H]1C ZINC000189826369 396400319 /nfs/dbraw/zinc/40/03/19/396400319.db2.gz LBUKFQQNMIKIDO-CQSZACIVSA-N 0 0 324.425 0.712 10 0 DCAERN COCCn1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n1 ZINC000189945029 396400611 /nfs/dbraw/zinc/40/06/11/396400611.db2.gz XCJNXWYWGIGGNQ-LBPRGKRZSA-N 0 0 320.353 0.170 10 0 DCAERN CN(C)c1cccc(CNC(=O)N2CCCN(C)C(=O)C2)n1 ZINC000190290060 396404453 /nfs/dbraw/zinc/40/44/53/396404453.db2.gz OFIUSQLUGJBQJA-UHFFFAOYSA-N 0 0 305.382 0.521 10 0 DCAERN CCNC(=O)N1CCN(S(=O)(=O)Cc2cc(C)on2)CC1 ZINC000269319589 396407328 /nfs/dbraw/zinc/40/73/28/396407328.db2.gz DPTDGIHRSWRJFF-UHFFFAOYSA-N 0 0 316.383 0.160 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000190539158 396407912 /nfs/dbraw/zinc/40/79/12/396407912.db2.gz JUMFLWVLVAHBEZ-YPMHNXCESA-N 0 0 316.423 0.438 10 0 DCAERN CCN1CN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1=O ZINC000190584163 396408198 /nfs/dbraw/zinc/40/81/98/396408198.db2.gz BIFDSCKEHIULIB-UHFFFAOYSA-N 0 0 321.352 0.984 10 0 DCAERN CCN1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1=O ZINC000190563052 396408485 /nfs/dbraw/zinc/40/84/85/396408485.db2.gz YJJDJIMXYIKRQT-CQSZACIVSA-N 0 0 315.373 0.683 10 0 DCAERN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000269420532 396413016 /nfs/dbraw/zinc/41/30/16/396413016.db2.gz HHYRPOMPVWEVJM-MFKMUULPSA-N 0 0 318.329 0.578 10 0 DCAERN NC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000193151912 396444912 /nfs/dbraw/zinc/44/49/12/396444912.db2.gz YSCDUVNAPIVYNI-ZDUSSCGKSA-N 0 0 303.362 0.673 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c1 ZINC000191041053 396414540 /nfs/dbraw/zinc/41/45/40/396414540.db2.gz QCTAEAMBNGJGBG-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCCN(C)C(=O)C1 ZINC000191090073 396415076 /nfs/dbraw/zinc/41/50/76/396415076.db2.gz MJSIXHBQLUNPBY-CHWSQXEVSA-N 0 0 324.425 0.555 10 0 DCAERN C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCCN(C)C(=O)C1 ZINC000191105344 396415827 /nfs/dbraw/zinc/41/58/27/396415827.db2.gz MEFXISVJUROURO-LBPRGKRZSA-N 0 0 318.377 0.887 10 0 DCAERN O=C(CCOCC(F)(F)C(F)F)N1CCNC(=O)CC1 ZINC000191209417 396416794 /nfs/dbraw/zinc/41/67/94/396416794.db2.gz BBFSHIUKJGMZKT-UHFFFAOYSA-N 0 0 300.252 0.642 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)CCc1ccncn1)CC2 ZINC000191249309 396417326 /nfs/dbraw/zinc/41/73/26/396417326.db2.gz VQNRMYCOKQCWCU-GFCCVEGCSA-N 0 0 300.366 0.694 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)[nH]1 ZINC000191517339 396420181 /nfs/dbraw/zinc/42/01/81/396420181.db2.gz QPBSQASDHWCPKZ-GFCCVEGCSA-N 0 0 307.398 0.404 10 0 DCAERN CCN1CN([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1=O ZINC000191554426 396421041 /nfs/dbraw/zinc/42/10/41/396421041.db2.gz VGQVDROOGFBORB-LLVKDONJSA-N 0 0 318.377 0.495 10 0 DCAERN CCc1nnc(C2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)[nH]1 ZINC000191530684 396421361 /nfs/dbraw/zinc/42/13/61/396421361.db2.gz RGDOHOXVCCHIBR-LBPRGKRZSA-N 0 0 319.409 0.942 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000191764739 396424695 /nfs/dbraw/zinc/42/46/95/396424695.db2.gz JKFXUSPCGFPMOR-ZYHUDNBSSA-N 0 0 301.346 0.849 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)c2cnn3c2CCCC3)[C@H](C)C1 ZINC000191954291 396428057 /nfs/dbraw/zinc/42/80/57/396428057.db2.gz UNWKWMRTIGEJMQ-CHWSQXEVSA-N 0 0 306.410 0.747 10 0 DCAERN CCN1CN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O ZINC000192083911 396429206 /nfs/dbraw/zinc/42/92/06/396429206.db2.gz VGXYJEBZMBJDGR-UHFFFAOYSA-N 0 0 318.377 0.971 10 0 DCAERN Cc1cccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000192652533 396433887 /nfs/dbraw/zinc/43/38/87/396433887.db2.gz XUBLPZKWGVSFTN-INIZCTEOSA-N 0 0 316.361 0.608 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@H]1N1CCOCC1 ZINC000192804513 396438094 /nfs/dbraw/zinc/43/80/94/396438094.db2.gz GJKRTUJTDGJNSX-CMPLNLGQSA-N 0 0 310.785 0.923 10 0 DCAERN C[C@H]1CN(C(=O)c2cnc(Cl)cn2)C[C@@H]1N1CCOCC1 ZINC000192804481 396438216 /nfs/dbraw/zinc/43/82/16/396438216.db2.gz GJKRTUJTDGJNSX-JQWIXIFHSA-N 0 0 310.785 0.923 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000187919346 396376201 /nfs/dbraw/zinc/37/62/01/396376201.db2.gz WHOSMWGTNMGADV-OLZOCXBDSA-N 0 0 314.430 0.215 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCCNC(=O)[C@H]2C)n1 ZINC000188067577 396378468 /nfs/dbraw/zinc/37/84/68/396378468.db2.gz ORVGUJMQYYUNEL-LLVKDONJSA-N 0 0 308.407 0.923 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000188100948 396378819 /nfs/dbraw/zinc/37/88/19/396378819.db2.gz LUIKJVXUBLREGU-LLVKDONJSA-N 0 0 314.349 0.077 10 0 DCAERN Cc1nccc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000507268824 396497097 /nfs/dbraw/zinc/49/70/97/396497097.db2.gz TVCRWMSQKTZLRV-UHFFFAOYSA-N 0 0 312.377 0.601 10 0 DCAERN Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C2 ZINC000372217498 396498439 /nfs/dbraw/zinc/49/84/39/396498439.db2.gz QBKXZAVDWGDRQP-GWCFXTLKSA-N 0 0 310.423 0.961 10 0 DCAERN C[C@@H](NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H](C)CO ZINC000372303366 396505073 /nfs/dbraw/zinc/50/50/73/396505073.db2.gz UVWMXJOYCYYSQK-GMTAPVOTSA-N 0 0 311.382 0.373 10 0 DCAERN Cc1nc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)sc1C ZINC000193483046 396452059 /nfs/dbraw/zinc/45/20/59/396452059.db2.gz ZGLVLPJBWPITIK-UHFFFAOYSA-N 0 0 322.390 0.435 10 0 DCAERN CCCc1csc(NC(=O)C(=O)N2CC(NC(C)=O)C2)n1 ZINC000193506834 396452607 /nfs/dbraw/zinc/45/26/07/396452607.db2.gz AZSHNSQZIDEUQF-UHFFFAOYSA-N 0 0 310.379 0.381 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)c2csc(C(F)(F)F)n2)O1 ZINC000193531888 396453259 /nfs/dbraw/zinc/45/32/59/396453259.db2.gz RXPVADXSPUGUIK-VDTYLAMSSA-N 0 0 323.296 0.925 10 0 DCAERN NC(=O)[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCCCC3=O)C1 ZINC000290740941 396471272 /nfs/dbraw/zinc/47/12/72/396471272.db2.gz MTTZRKKCQCUSFI-KRWDZBQOSA-N 0 0 316.357 0.658 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCc1ccccc1F ZINC000371830117 396478166 /nfs/dbraw/zinc/47/81/66/396478166.db2.gz XVCCYZJHJPAJPV-CQSZACIVSA-N 0 0 307.369 0.458 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)ccc1F ZINC000371835351 396478267 /nfs/dbraw/zinc/47/82/67/396478267.db2.gz SGGHGQGTFLHSAW-ZDUSSCGKSA-N 0 0 321.352 0.616 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[C@H]3O)C2)cn1 ZINC000371839014 396478467 /nfs/dbraw/zinc/47/84/67/396478467.db2.gz PCMNPCYQEGVXPB-VNHYZAJKSA-N 0 0 321.425 0.849 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1)N1CCN2CCOC[C@H]2C1 ZINC000371955657 396480794 /nfs/dbraw/zinc/48/07/94/396480794.db2.gz USOFJJIDUDVEDI-SNVBAGLBSA-N 0 0 317.798 0.440 10 0 DCAERN CCO[C@@H]1C[C@@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000291471035 396492609 /nfs/dbraw/zinc/49/26/09/396492609.db2.gz FEBJBIIPCWUDKP-ISVAXAHUSA-N 0 0 305.334 0.946 10 0 DCAERN COCCC(C)(C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000373386899 396587543 /nfs/dbraw/zinc/58/75/43/396587543.db2.gz YQPFXHCNUYLFRC-CYBMUJFWSA-N 0 0 312.410 0.945 10 0 DCAERN COC[C@](C)(O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000581774888 396582592 /nfs/dbraw/zinc/58/25/92/396582592.db2.gz ZBQCAJNRHRETRQ-OBJOEFQTSA-N 0 0 301.383 0.068 10 0 DCAERN CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000519443447 396519284 /nfs/dbraw/zinc/51/92/84/396519284.db2.gz QJFGTUNRLQMEON-UHFFFAOYSA-N 0 0 324.344 0.764 10 0 DCAERN COc1cc(NC(=O)C(=O)NCCOCC2CCC2)ncn1 ZINC000519676886 396523280 /nfs/dbraw/zinc/52/32/80/396523280.db2.gz NLZXIJVHTSTVNQ-UHFFFAOYSA-N 0 0 308.338 0.357 10 0 DCAERN O=C(CN1C[C@H](F)C[C@H]1CO)NC(=O)NC1CCCCC1 ZINC000372511343 396523409 /nfs/dbraw/zinc/52/34/09/396523409.db2.gz DXEDOKFYZKOJAE-PWSUYJOCSA-N 0 0 301.362 0.550 10 0 DCAERN Cn1cnc(CCNC(=O)NCC(=O)NC2CCCCC2)n1 ZINC000530786922 396584315 /nfs/dbraw/zinc/58/43/15/396584315.db2.gz LZBIOIOGUHOTKI-UHFFFAOYSA-N 0 0 308.386 0.106 10 0 DCAERN COC(=O)C1(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)CC1 ZINC000292103264 396530573 /nfs/dbraw/zinc/53/05/73/396530573.db2.gz ZRBYQTXALWSGHB-UHFFFAOYSA-N 0 0 319.317 0.474 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000581583742 396566523 /nfs/dbraw/zinc/56/65/23/396566523.db2.gz SKBDLNCQWDRRAO-BDAKNGLRSA-N 0 0 309.288 0.928 10 0 DCAERN COc1cccc2c(N3CC[C@@](O)(C(N)=O)C3)cc(C)nc12 ZINC000373371331 396586915 /nfs/dbraw/zinc/58/69/15/396586915.db2.gz YNEWFFPZCPAUPL-INIZCTEOSA-N 0 0 301.346 0.978 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)Cn2ncc3ccccc32)cn1 ZINC000373278843 396581197 /nfs/dbraw/zinc/58/11/97/396581197.db2.gz BRPJSMROSZXUNS-MRXNPFEDSA-N 0 0 324.388 0.943 10 0 DCAERN CC(C)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1=O ZINC000561530794 396643827 /nfs/dbraw/zinc/64/38/27/396643827.db2.gz QOVLWKJHIRGSFG-KGLIPLIRSA-N 0 0 300.399 0.096 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c1=O ZINC000293972150 396645239 /nfs/dbraw/zinc/64/52/39/396645239.db2.gz UTERDDRNXLWZPW-NSHDSACASA-N 0 0 307.350 0.375 10 0 DCAERN Cc1noc(C)c1CC(=O)NCCCN1CCCS1(=O)=O ZINC000585736404 396651970 /nfs/dbraw/zinc/65/19/70/396651970.db2.gz KNQAWBLJHFSZLN-UHFFFAOYSA-N 0 0 315.395 0.376 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1cc(Cl)c[nH]1 ZINC000585736200 396652003 /nfs/dbraw/zinc/65/20/03/396652003.db2.gz QTUKUQVAYOSWPP-UHFFFAOYSA-N 0 0 305.787 0.824 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)o1 ZINC000533469996 396603030 /nfs/dbraw/zinc/60/30/30/396603030.db2.gz YIPFWGNRUBINNE-ZETCQYMHSA-N 0 0 305.256 0.745 10 0 DCAERN CCn1cc(NC(=O)C(=O)NCCOCC2CCC2)ccc1=O ZINC000582334760 396604250 /nfs/dbraw/zinc/60/42/50/396604250.db2.gz NXVQSXJIPOUOJT-UHFFFAOYSA-N 0 0 321.377 0.740 10 0 DCAERN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCCNC(=O)[C@H]1C ZINC000373746335 396611655 /nfs/dbraw/zinc/61/16/55/396611655.db2.gz NVFBIGOSADQYFQ-BDAKNGLRSA-N 0 0 324.410 0.226 10 0 DCAERN COC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000293476736 396611845 /nfs/dbraw/zinc/61/18/45/396611845.db2.gz QKJZAJADFRPUMJ-JTQLQIEISA-N 0 0 301.368 0.302 10 0 DCAERN NC(=O)NC1(C(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000560402443 396613176 /nfs/dbraw/zinc/61/31/76/396613176.db2.gz GFCBWGQNQQCXHP-JTQLQIEISA-N 0 0 305.334 0.534 10 0 DCAERN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016958 396628331 /nfs/dbraw/zinc/62/83/31/396628331.db2.gz ZIDCVVGIPNESDZ-YPMHNXCESA-N 0 0 316.361 0.892 10 0 DCAERN COC(OC)[C@@H](C)NC(=O)c1cnn(C)c1Br ZINC000293921532 396641693 /nfs/dbraw/zinc/64/16/93/396641693.db2.gz MRMXWWYQWQECKD-ZCFIWIBFSA-N 0 0 306.160 0.920 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)c1ccc2[nH]cnc2c1 ZINC000586763102 396663642 /nfs/dbraw/zinc/66/36/42/396663642.db2.gz TVQYXXZJGIFACU-UHFFFAOYSA-N 0 0 322.390 0.718 10 0 DCAERN CCN(CCOC)C(=O)NCCCN1CCCS1(=O)=O ZINC000587119637 396671200 /nfs/dbraw/zinc/67/12/00/396671200.db2.gz XJDRUNQTBFMTEM-UHFFFAOYSA-N 0 0 307.416 0.090 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374707727 396681534 /nfs/dbraw/zinc/68/15/34/396681534.db2.gz QPGDSLKRKHJYSO-RYUDHWBXSA-N 0 0 306.428 0.340 10 0 DCAERN COCCCS(=O)(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374728937 396683212 /nfs/dbraw/zinc/68/32/12/396683212.db2.gz HFENNHCGUANWCI-CHWSQXEVSA-N 0 0 321.439 0.510 10 0 DCAERN COC(=O)c1c(C)[nH]c(C(=O)N2CC(n3ccnn3)C2)c1C ZINC000374805494 396689515 /nfs/dbraw/zinc/68/95/15/396689515.db2.gz IYEOHGCTVNODPW-UHFFFAOYSA-N 0 0 303.322 0.707 10 0 DCAERN COCCOc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000374932151 396699650 /nfs/dbraw/zinc/69/96/50/396699650.db2.gz VSDMLRYHWMFMDY-HNNXBMFYSA-N 0 0 320.389 0.868 10 0 DCAERN COc1cccc(C(=O)N2CCN3CCOC[C@@H]3C2)c1OC ZINC000374958841 396700648 /nfs/dbraw/zinc/70/06/48/396700648.db2.gz BDMXSXUOTVUIEZ-LBPRGKRZSA-N 0 0 306.362 0.860 10 0 DCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1CCCC12OCCO2 ZINC000375088748 396710466 /nfs/dbraw/zinc/71/04/66/396710466.db2.gz GEMKNEUITJFTJI-QWHCGFSZSA-N 0 0 308.378 0.799 10 0 DCAERN O=c1[nH]c(N2CCN(c3nccs3)CC2)nc2n[nH]cc21 ZINC000302355349 396719589 /nfs/dbraw/zinc/71/95/89/396719589.db2.gz ZAHLJBTYUDPSAE-UHFFFAOYSA-N 0 0 303.351 0.842 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)cc2F)C1 ZINC000375239363 396721155 /nfs/dbraw/zinc/72/11/55/396721155.db2.gz MQCUAPRJOLTKOL-WDEREUQCSA-N 0 0 303.355 0.904 10 0 DCAERN COCc1cncc(C(=O)NCCn2cc(C(=O)OC)nn2)c1 ZINC000585810534 396660158 /nfs/dbraw/zinc/66/01/58/396660158.db2.gz RTBQCJPZKVUHAT-UHFFFAOYSA-N 0 0 319.321 0.036 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000375613374 396781518 /nfs/dbraw/zinc/78/15/18/396781518.db2.gz NTTMLZHLHWRREI-UWVGGRQHSA-N 0 0 318.361 0.702 10 0 DCAERN O=C(CN1CC[C@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000375430816 396743756 /nfs/dbraw/zinc/74/37/56/396743756.db2.gz FVCWLDNEGLBPSS-LBPRGKRZSA-N 0 0 306.366 0.595 10 0 DCAERN C[C@H]1COCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000305861248 396754906 /nfs/dbraw/zinc/75/49/06/396754906.db2.gz ZJFYRDSRNNMHAU-WCBMZHEXSA-N 0 0 318.420 0.684 10 0 DCAERN CC(C)(C)OCCNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000308571063 396757044 /nfs/dbraw/zinc/75/70/44/396757044.db2.gz KOUYQPPHDSOFOV-UHFFFAOYSA-N 0 0 320.436 0.869 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C[C@H](O)CC(F)(F)F)C1 ZINC000375483277 396757346 /nfs/dbraw/zinc/75/73/46/396757346.db2.gz 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/nfs/dbraw/zinc/82/70/20/396827020.db2.gz ROPMLDNSDMDPOM-ZDUSSCGKSA-N 0 0 322.365 0.069 10 0 DCAERN CN1CCN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1ncc[nH]1 ZINC000328643841 396829451 /nfs/dbraw/zinc/82/94/51/396829451.db2.gz YZQXPHDRMLVUKV-OLZOCXBDSA-N 0 0 308.382 0.420 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000629791576 396835582 /nfs/dbraw/zinc/83/55/82/396835582.db2.gz KAMDTOMVKRQZLM-AGIUHOORSA-N 0 0 322.365 0.725 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCn2ncnc2C1 ZINC000329960422 396851656 /nfs/dbraw/zinc/85/16/56/396851656.db2.gz NWJPQZNNLIOZTC-GHMZBOCLSA-N 0 0 323.422 0.568 10 0 DCAERN COC(=O)c1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)o1 ZINC000611442238 396867170 /nfs/dbraw/zinc/86/71/70/396867170.db2.gz DHGNCFXTWWVDLR-CYBMUJFWSA-N 0 0 322.361 0.936 10 0 DCAERN CC1(C)C[C@@H]1NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000564057966 396806246 /nfs/dbraw/zinc/80/62/46/396806246.db2.gz XEUXNJFGGDRYRR-BONVTDFDSA-N 0 0 308.382 0.805 10 0 DCAERN 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397322767 /nfs/dbraw/zinc/32/27/67/397322767.db2.gz LOEYGUSMXNLOGC-CYBMUJFWSA-N 0 0 300.366 0.961 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593710476 397430880 /nfs/dbraw/zinc/43/08/80/397430880.db2.gz HOAJYOJWKSKXKQ-MZFXBISCSA-N 0 0 320.370 0.560 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000370154275 397448926 /nfs/dbraw/zinc/44/89/26/397448926.db2.gz RTWRIERJTWJRLL-IJLUTSLNSA-N 0 0 305.396 0.769 10 0 DCAERN CCO[C@H]1C[C@@](NS(=O)(=O)C2CC2)(C(=O)OC)C1(C)C ZINC000444282592 397415626 /nfs/dbraw/zinc/41/56/26/397415626.db2.gz XTKKUXZLTZGVFQ-GXFFZTMASA-N 0 0 305.396 0.815 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000487081345 397465585 /nfs/dbraw/zinc/46/55/85/397465585.db2.gz AHJTTXHXHMYUEZ-MNOVXSKESA-N 0 0 322.361 0.881 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CO[C@@H](C)CC ZINC000487096815 397466114 /nfs/dbraw/zinc/46/61/14/397466114.db2.gz OBPCZEJPYRVHHW-AXFHLTTASA-N 0 0 302.371 0.374 10 0 DCAERN O=C(NCCc1nnc[nH]1)c1cc2c(cc1F)NC(=O)CC2 ZINC000488020060 397483726 /nfs/dbraw/zinc/48/37/26/397483726.db2.gz AXIGDCXNEOBNOL-UHFFFAOYSA-N 0 0 303.297 0.801 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCS2)C[C@@H](C(N)=O)O1 ZINC000370481574 397491243 /nfs/dbraw/zinc/49/12/43/397491243.db2.gz UYPRMJRWZSKLHJ-GBIKHYSHSA-N 0 0 301.412 0.556 10 0 DCAERN COC(=O)c1oc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1C ZINC000370499883 397494166 /nfs/dbraw/zinc/49/41/66/397494166.db2.gz OKSNEWZAVCNOLJ-OAHLLOKOSA-N 0 0 321.333 0.549 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)Nc1cccc2c1OCCC2 ZINC000370540865 397499373 /nfs/dbraw/zinc/49/93/73/397499373.db2.gz YFZCZKMIFPNXPN-UHFFFAOYSA-N 0 0 318.333 0.685 10 0 DCAERN C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CCN1C ZINC000578931559 397503276 /nfs/dbraw/zinc/50/32/76/397503276.db2.gz MDGIAGSUIVGPBO-GHMZBOCLSA-N 0 0 319.409 0.787 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(c2ncncc2Br)C1 ZINC000370654009 397512701 /nfs/dbraw/zinc/51/27/01/397512701.db2.gz PEPBFLQHLAAVSH-ZETCQYMHSA-N 0 0 321.200 0.496 10 0 DCAERN O=C(NC1CCC2(CC2)CC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000579392316 397563773 /nfs/dbraw/zinc/56/37/73/397563773.db2.gz MDZHFLWTSUKYTI-UHFFFAOYSA-N 0 0 319.405 0.659 10 0 DCAERN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000579457896 397569116 /nfs/dbraw/zinc/56/91/16/397569116.db2.gz JYRSQPCYWROUAG-ILXRZTDVSA-N 0 0 323.437 0.614 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000579065997 397518700 /nfs/dbraw/zinc/51/87/00/397518700.db2.gz GGXRJUOXPWOVDQ-NSHDSACASA-N 0 0 304.416 0.015 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(C)(=O)=O)[nH]1 ZINC000370959080 397528589 /nfs/dbraw/zinc/52/85/89/397528589.db2.gz JUMWVPVFHGWJCP-SCZZXKLOSA-N 0 0 315.399 0.104 10 0 DCAERN Cn1nccc1CC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000579902935 397596952 /nfs/dbraw/zinc/59/69/52/397596952.db2.gz QDFRPOYJNKXXHF-HNNXBMFYSA-N 0 0 306.410 0.676 10 0 DCAERN O=C(NCCn1cccn1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000604202981 397633918 /nfs/dbraw/zinc/63/39/18/397633918.db2.gz AGEJPAZELNXFES-CQSZACIVSA-N 0 0 319.409 0.927 10 0 DCAERN Cc1nc(C(=O)Nc2ccc3nccn3c2)nn1-c1nc[nH]n1 ZINC000606533063 397683610 /nfs/dbraw/zinc/68/36/10/397683610.db2.gz AAMRWDYILNPIOX-UHFFFAOYSA-N 0 0 309.293 0.594 10 0 DCAERN CN(C)c1nccc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1 ZINC000607143159 397696525 /nfs/dbraw/zinc/69/65/25/397696525.db2.gz LHKLHHYOEMIYGV-LLVKDONJSA-N 0 0 313.427 0.308 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000608763607 397754437 /nfs/dbraw/zinc/75/44/37/397754437.db2.gz LLUHWSGXTNNVOV-WUHRBBMRSA-N 0 0 300.424 0.963 10 0 DCAERN NC(=O)CSCC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000609820567 397793475 /nfs/dbraw/zinc/79/34/75/397793475.db2.gz BAFTVJCWGGPCAE-UHFFFAOYSA-N 0 0 309.391 0.680 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@@H]2CCCN2C)C1 ZINC000329183227 286081426 /nfs/dbraw/zinc/08/14/26/286081426.db2.gz NYSIHJMNWUCUBJ-IHRRRGAJSA-N 0 0 309.410 0.319 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)NC2CC2)(C(=O)OC)C1(C)C ZINC000444275425 286418638 /nfs/dbraw/zinc/41/86/38/286418638.db2.gz CLNSGBRREGFJSR-MFKMUULPSA-N 0 0 320.411 0.320 10 0 DCAERN CS(=O)(=O)N1C[C@@H](C(=O)N2CCCO2)Oc2ccccc21 ZINC000376910057 286612376 /nfs/dbraw/zinc/61/23/76/286612376.db2.gz IAHUNCFAWCBSTN-LBPRGKRZSA-N 0 0 312.347 0.378 10 0 DCAERN CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)S(C)(=O)=O ZINC000046326790 158001644 /nfs/dbraw/zinc/00/16/44/158001644.db2.gz DIEPYPYJQCLVFP-UHFFFAOYSA-N 0 0 321.402 0.944 10 0 DCAERN C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1 ZINC000046268289 158002118 /nfs/dbraw/zinc/00/21/18/158002118.db2.gz JSUMPAAFAKAGGB-SNVBAGLBSA-N 0 0 304.350 0.307 10 0 DCAERN Cc1cc(C)n(CC(=O)NCc2cccnc2-n2cncn2)n1 ZINC000047122942 158002840 /nfs/dbraw/zinc/00/28/40/158002840.db2.gz MWZJISPHVLMEOZ-UHFFFAOYSA-N 0 0 311.349 0.792 10 0 DCAERN O=c1[nH]c2ccc(S(=O)(=O)NCc3cscn3)cc2[nH]1 ZINC000051159815 158013717 /nfs/dbraw/zinc/01/37/17/158013717.db2.gz IMNYFRDGUQAHQL-UHFFFAOYSA-N 0 0 310.360 0.791 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC000051470351 158014767 /nfs/dbraw/zinc/01/47/67/158014767.db2.gz IMISLKLPKJTERK-KGLIPLIRSA-N 0 0 309.410 0.762 10 0 DCAERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000051995627 158016195 /nfs/dbraw/zinc/01/61/95/158016195.db2.gz TYQUEQQFXXXXDA-BBBLOLIVSA-N 0 0 308.300 0.817 10 0 DCAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(N)=O ZINC000053394821 158018912 /nfs/dbraw/zinc/01/89/12/158018912.db2.gz RTQNDIDFVOEZHG-NTZNESFSSA-N 0 0 305.378 0.821 10 0 DCAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CNC(N)=O)c2)n1 ZINC000058940672 158026743 /nfs/dbraw/zinc/02/67/43/158026743.db2.gz NNHQJFDKYGDNTO-UHFFFAOYSA-N 0 0 315.333 0.606 10 0 DCAERN NC(=O)NCC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000058938918 158026804 /nfs/dbraw/zinc/02/68/04/158026804.db2.gz ZXNGEHJCDIMUTF-UHFFFAOYSA-N 0 0 305.256 0.912 10 0 DCAERN C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCNC(=O)CC1 ZINC000065954845 158034306 /nfs/dbraw/zinc/03/43/06/158034306.db2.gz YWGFFEBNURITMG-UONOGXRCSA-N 0 0 311.426 0.520 10 0 DCAERN CCCS(=O)(=O)CC(=O)NCCc1c(C)nn(C)c1C ZINC000065637023 158034679 /nfs/dbraw/zinc/03/46/79/158034679.db2.gz NWDWFCLQCOAGGO-UHFFFAOYSA-N 0 0 301.412 0.520 10 0 DCAERN COc1ccc2c(c1)CCN2C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000069631145 158044775 /nfs/dbraw/zinc/04/47/75/158044775.db2.gz KIANSOLCNAOKEH-NSHDSACASA-N 0 0 310.375 0.954 10 0 DCAERN CC1CCC2(CC(=O)N(C[C@@H](O)CN3CCOCC3)C2=O)CC1 ZINC000069167244 158044876 /nfs/dbraw/zinc/04/48/76/158044876.db2.gz LRLIHNVWEMXIAP-UUCFBXCCSA-N 0 0 324.421 0.635 10 0 DCAERN CCN(Cc1c(F)cccc1F)C(=O)C[C@H]1NC(=O)NC1=O ZINC000069518809 158045077 /nfs/dbraw/zinc/04/50/77/158045077.db2.gz PCUXYUIEAVGBCR-LLVKDONJSA-N 0 0 311.288 0.911 10 0 DCAERN COCCCN(CC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000071121395 158049356 /nfs/dbraw/zinc/04/93/56/158049356.db2.gz GQYBRGQPIWSEKL-LBPRGKRZSA-N 0 0 320.455 0.427 10 0 DCAERN CC(=O)N[C@H]1CCCN(CC(=O)NCCOc2ccccc2)C1 ZINC000071952947 158050978 /nfs/dbraw/zinc/05/09/78/158050978.db2.gz GSGZLPOTRHEATL-HNNXBMFYSA-N 0 0 319.405 0.782 10 0 DCAERN O=C(CN1C(=O)c2ccccc2C1=O)N1CCn2ccnc2C1 ZINC000074785080 158059520 /nfs/dbraw/zinc/05/95/20/158059520.db2.gz WZKMGEXRRRXYKU-UHFFFAOYSA-N 0 0 310.313 0.522 10 0 DCAERN CN(C)S(=O)(=O)N1CCCN(C(=O)NC2CCCC2)CC1 ZINC000075043322 158060507 /nfs/dbraw/zinc/06/05/07/158060507.db2.gz PIIAURQSPHACCJ-UHFFFAOYSA-N 0 0 318.443 0.453 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCOC(C)(C)C1 ZINC000075649421 158061613 /nfs/dbraw/zinc/06/16/13/158061613.db2.gz AJOSEOZHFMAIEN-LBPRGKRZSA-N 0 0 318.439 0.828 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOC(C)(C)C1 ZINC000075649414 158062334 /nfs/dbraw/zinc/06/23/34/158062334.db2.gz AJOSEOZHFMAIEN-GFCCVEGCSA-N 0 0 318.439 0.828 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N1CCC(n2cncn2)CC1 ZINC000076205750 158064333 /nfs/dbraw/zinc/06/43/33/158064333.db2.gz JTQGNWJWXUVOOC-GFCCVEGCSA-N 0 0 323.422 0.753 10 0 DCAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N1CCOCC1 ZINC000077710658 158068989 /nfs/dbraw/zinc/06/89/89/158068989.db2.gz ZXCYVKARODCWDE-UHFFFAOYSA-N 0 0 302.290 0.534 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H](C)CS(C)(=O)=O ZINC000077829227 158070680 /nfs/dbraw/zinc/07/06/80/158070680.db2.gz SRCDGICEGQSOSP-DGCLKSJQSA-N 0 0 308.444 0.906 10 0 DCAERN Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C)n(C)n1 ZINC000077929385 158071541 /nfs/dbraw/zinc/07/15/41/158071541.db2.gz IHKLPAYULFZUIV-HNNXBMFYSA-N 0 0 310.398 0.970 10 0 DCAERN CN(CC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(N)=O ZINC000078393567 158073327 /nfs/dbraw/zinc/07/33/27/158073327.db2.gz RFNJYYJIJNUWJF-LLVKDONJSA-N 0 0 324.768 0.572 10 0 DCAERN O=C(CNC(=O)N1CC[C@](O)(C(F)(F)F)C1)N1CCCC1 ZINC000081475111 158084776 /nfs/dbraw/zinc/08/47/76/158084776.db2.gz BFXCMUSHIKOMNF-LLVKDONJSA-N 0 0 309.288 0.318 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000081935350 158086024 /nfs/dbraw/zinc/08/60/24/158086024.db2.gz KUSXMAXFZSZRCE-LBPRGKRZSA-N 0 0 314.349 0.240 10 0 DCAERN Cc1nn(C)cc1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000084210170 158089120 /nfs/dbraw/zinc/08/91/20/158089120.db2.gz FKPMBFSUHJKBFB-CYBMUJFWSA-N 0 0 308.382 0.342 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCS(C)(=O)=O ZINC000088196820 158093532 /nfs/dbraw/zinc/09/35/32/158093532.db2.gz UYXDBAAJZTXJTE-SNVBAGLBSA-N 0 0 314.411 0.616 10 0 DCAERN O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1COCCN1 ZINC000088358324 158093666 /nfs/dbraw/zinc/09/36/66/158093666.db2.gz WBPIUEGYFNUKTK-SECBINFHSA-N 0 0 305.256 0.950 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N1CCc2ncccc2C1 ZINC000088769088 158094651 /nfs/dbraw/zinc/09/46/51/158094651.db2.gz LQGDEGFUQRUCRI-UHFFFAOYSA-N 0 0 313.379 0.179 10 0 DCAERN CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)c1nccs1 ZINC000088773026 158095916 /nfs/dbraw/zinc/09/59/16/158095916.db2.gz DHWPVHCJPYFTJA-VIFPVBQESA-N 0 0 321.424 0.924 10 0 DCAERN NC(=O)CONC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000089465404 158097387 /nfs/dbraw/zinc/09/73/87/158097387.db2.gz WNFQVAPTYLEQHR-YFKPBYRVSA-N 0 0 306.244 0.067 10 0 DCAERN C[C@](O)(CO)CNC(=O)Cc1ccc(Br)cc1 ZINC000090285365 158102979 /nfs/dbraw/zinc/10/29/79/158102979.db2.gz UPNUSSZZGKSHJK-GFCCVEGCSA-N 0 0 302.168 0.851 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1Cl ZINC000091780365 158109413 /nfs/dbraw/zinc/10/94/13/158109413.db2.gz XRFJZTMGQJWSAD-NSHDSACASA-N 0 0 300.717 0.734 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(CC(=O)N3CCN(C)CC3)[C@H]2C1 ZINC000093208864 158119539 /nfs/dbraw/zinc/11/95/39/158119539.db2.gz ZCIJUNJYDOZMKA-QLFBSQMISA-N 0 0 311.426 0.029 10 0 DCAERN CCS(=O)(=O)NCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000109329332 158136249 /nfs/dbraw/zinc/13/62/49/158136249.db2.gz YMJWIRULYUCYNJ-UHFFFAOYSA-N 0 0 300.428 0.534 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C3=COCCO3)CC2)no1 ZINC000110946035 158138893 /nfs/dbraw/zinc/13/88/93/158138893.db2.gz MOEBJIDQSMWNJU-UHFFFAOYSA-N 0 0 308.338 0.301 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)S(C)(=O)=O ZINC000114312992 158151908 /nfs/dbraw/zinc/15/19/08/158151908.db2.gz DKMDYWUICFPGSA-AAEUAGOBSA-N 0 0 324.402 0.731 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC000114836502 158157770 /nfs/dbraw/zinc/15/77/70/158157770.db2.gz WYZRYJZCROXQAA-QWHCGFSZSA-N 0 0 310.398 0.306 10 0 DCAERN NC(=O)NCC(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000115715711 158163008 /nfs/dbraw/zinc/16/30/08/158163008.db2.gz AAXQLVKMOSWDMV-UHFFFAOYSA-N 0 0 309.713 0.675 10 0 DCAERN CN(C)[C@@H](CNC(=O)CNC(N)=O)c1c(F)cccc1F ZINC000115715971 158163040 /nfs/dbraw/zinc/16/30/40/158163040.db2.gz BJGPNTURFDDEJS-JTQLQIEISA-N 0 0 300.309 0.352 10 0 DCAERN CC(C)Nc1ncnc2c1ncn2C[C@H](O)CN1CCOCC1 ZINC000116400820 158166108 /nfs/dbraw/zinc/16/61/08/158166108.db2.gz LVSXWQVQPJCUQO-GFCCVEGCSA-N 0 0 320.397 0.340 10 0 DCAERN O=C(COC[C@H]1CCOC1)NCCc1nnc2n1CCCCC2 ZINC000117749717 158173563 /nfs/dbraw/zinc/17/35/63/158173563.db2.gz DDXASNJKSVSYQN-ZDUSSCGKSA-N 0 0 322.409 0.716 10 0 DCAERN Cc1cnn(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000117927848 158174557 /nfs/dbraw/zinc/17/45/57/158174557.db2.gz PWLLMVDWCCIZFL-UHFFFAOYSA-N 0 0 321.362 0.340 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)NCc3cscn3)C2=O)cn1 ZINC000117963240 158174580 /nfs/dbraw/zinc/17/45/80/158174580.db2.gz SXFQGVVSKSUNSC-LLVKDONJSA-N 0 0 320.378 0.481 10 0 DCAERN C[C@@H](O)CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000118719500 158177595 /nfs/dbraw/zinc/17/75/95/158177595.db2.gz XYIUMBFVLBJZES-LLVKDONJSA-N 0 0 312.391 0.727 10 0 DCAERN O=C(CNC(=O)c1ccccc1)NC[C@@]1(CCO)CCOC1 ZINC000119477258 158187107 /nfs/dbraw/zinc/18/71/07/158187107.db2.gz JEZHQUZSIOCIJQ-MRXNPFEDSA-N 0 0 306.362 0.322 10 0 DCAERN COCCS(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000119781585 158190198 /nfs/dbraw/zinc/19/01/98/158190198.db2.gz YONKWUOFIOFJOO-UHFFFAOYSA-N 0 0 301.412 0.651 10 0 DCAERN Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)n[nH]1 ZINC000119749971 158190513 /nfs/dbraw/zinc/19/05/13/158190513.db2.gz HBAVPNVHOYJXHK-SECBINFHSA-N 0 0 302.338 0.617 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H](C)O)c2)no1 ZINC000120023800 158191634 /nfs/dbraw/zinc/19/16/34/158191634.db2.gz BWHZLDWEGKXBLT-QMMMGPOBSA-N 0 0 304.306 0.481 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000119994674 158191885 /nfs/dbraw/zinc/19/18/85/158191885.db2.gz JQKOXRPZTGLNSQ-STQMWFEESA-N 0 0 304.394 0.680 10 0 DCAERN Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)[nH]n1 ZINC000119987007 158191945 /nfs/dbraw/zinc/19/19/45/158191945.db2.gz WHVQAMUCFBOAHO-LLVKDONJSA-N 0 0 312.395 0.358 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(C)CCCO2)C1 ZINC000120130217 158193456 /nfs/dbraw/zinc/19/34/56/158193456.db2.gz QNAYSVNNOZZLOI-YPMHNXCESA-N 0 0 304.412 0.484 10 0 DCAERN Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccc1C(N)=O ZINC000120100894 158193657 /nfs/dbraw/zinc/19/36/57/158193657.db2.gz YYXDMCPIARGBLB-NSHDSACASA-N 0 0 314.349 0.822 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000120885263 158205076 /nfs/dbraw/zinc/20/50/76/158205076.db2.gz SCNKGGLVEAKTDG-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN CN1CCN(C(=O)CN2CCO[C@H](c3nccs3)C2)CC1 ZINC000121050271 158207105 /nfs/dbraw/zinc/20/71/05/158207105.db2.gz ZDPGGFWKDXDCTK-LBPRGKRZSA-N 0 0 310.423 0.290 10 0 DCAERN CCCn1cc(CN2CCN(CC(=O)NCCOC)CC2)cn1 ZINC000121259828 158209046 /nfs/dbraw/zinc/20/90/46/158209046.db2.gz ZPCWGGKRFZTTBD-UHFFFAOYSA-N 0 0 323.441 0.173 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCS(=O)(=O)[C@@H](C)C2)C1 ZINC000121745421 158213895 /nfs/dbraw/zinc/21/38/95/158213895.db2.gz FVBKVUXJMGIJHU-RYUDHWBXSA-N 0 0 316.423 0.281 10 0 DCAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCC(N)=O)CC2 ZINC000122266504 158220003 /nfs/dbraw/zinc/22/00/03/158220003.db2.gz COKPTRDAUQSZSN-SSDOTTSWSA-N 0 0 316.283 0.510 10 0 DCAERN COCCc1cc(NC(=O)[C@@H]2CCCCN2C(C)=O)n(C)n1 ZINC000122904844 158225044 /nfs/dbraw/zinc/22/50/44/158225044.db2.gz MYKKECPBNMTUJF-ZDUSSCGKSA-N 0 0 308.382 0.949 10 0 DCAERN O=C(CCC(=O)N1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000125387666 158255193 /nfs/dbraw/zinc/25/51/93/158255193.db2.gz WQPKPWVOGXFDLB-UHFFFAOYSA-N 0 0 320.393 0.755 10 0 DCAERN C[C@H](NC(=O)CN1CCN(C2CC2)CC1)C(=O)N1CCCCC1 ZINC000125834821 158259320 /nfs/dbraw/zinc/25/93/20/158259320.db2.gz NQSIZIVDCGJWDD-AWEZNQCLSA-N 0 0 322.453 0.284 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000127674069 158275891 /nfs/dbraw/zinc/27/58/91/158275891.db2.gz UZEQQJFACSQCKD-DGCLKSJQSA-N 0 0 322.413 0.342 10 0 DCAERN COC(=O)C1(C(=O)N2CCCN(Cc3noc(C)n3)CC2)CC1 ZINC000128347061 158280081 /nfs/dbraw/zinc/28/00/81/158280081.db2.gz DMJGTPKCWZIEQW-UHFFFAOYSA-N 0 0 322.365 0.366 10 0 DCAERN CN1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCC1=O ZINC000128687216 158282080 /nfs/dbraw/zinc/28/20/80/158282080.db2.gz QHOARHPLLGQQDS-XJKCOSOUSA-N 0 0 309.410 0.944 10 0 DCAERN CC[C@@H](C)[C@H](NC(N)=O)C(=O)N1CCC(OCCO)CC1 ZINC000129229816 158285981 /nfs/dbraw/zinc/28/59/81/158285981.db2.gz WGOPKRRMSPAJOU-PWSUYJOCSA-N 0 0 301.387 0.069 10 0 DCAERN O=C(COc1ccc(F)cc1)NC[C@H](O)CN1CCOCC1 ZINC000129086418 158286539 /nfs/dbraw/zinc/28/65/39/158286539.db2.gz SLWWPGZRNUJHSQ-ZDUSSCGKSA-N 0 0 312.341 0.014 10 0 DCAERN COc1cccc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1 ZINC000130304053 158295127 /nfs/dbraw/zinc/29/51/27/158295127.db2.gz LYNCJLIWALLVIH-KBPBESRZSA-N 0 0 304.346 0.874 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)CCCS(C)(=O)=O ZINC000131094405 158298445 /nfs/dbraw/zinc/29/84/45/158298445.db2.gz UEZQVPPXQOBBNG-UHFFFAOYSA-N 0 0 301.412 0.980 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H](O)COC(C)C ZINC000131048658 158298865 /nfs/dbraw/zinc/29/88/65/158298865.db2.gz OERHOTNEVSCYPZ-LLVKDONJSA-N 0 0 306.384 0.698 10 0 DCAERN Cc1noc(CCNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC000131618306 158304508 /nfs/dbraw/zinc/30/45/08/158304508.db2.gz MSIYKMLYRJZVKB-RNCFNFMXSA-N 0 0 310.379 0.491 10 0 DCAERN CCN(CC)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000133264197 158318354 /nfs/dbraw/zinc/31/83/54/158318354.db2.gz GASKADFTAGANSO-UHFFFAOYSA-N 0 0 317.349 0.378 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)CC2 ZINC000133799313 158322456 /nfs/dbraw/zinc/32/24/56/158322456.db2.gz SCAAKTWDVQJRNO-NEPJUHHUSA-N 0 0 319.409 0.701 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)CC2 ZINC000134025499 158323409 /nfs/dbraw/zinc/32/34/09/158323409.db2.gz UTNGIGPGVLCOEX-LBPRGKRZSA-N 0 0 315.377 0.845 10 0 DCAERN O=C(Cc1ccc(O)cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000136129770 158341347 /nfs/dbraw/zinc/34/13/47/158341347.db2.gz MLZHBFMKPUUKML-VIFPVBQESA-N 0 0 303.767 0.891 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(C(C)=O)CC1 ZINC000136269592 158342983 /nfs/dbraw/zinc/34/29/83/158342983.db2.gz MISKIXREIRMLGK-ZDUSSCGKSA-N 0 0 312.414 0.555 10 0 DCAERN CCc1cnc(CCNC(=O)C2=NN(CCO)C(=O)CC2)s1 ZINC000137304896 158344809 /nfs/dbraw/zinc/34/48/09/158344809.db2.gz ZAFCYHKCZYKWKQ-UHFFFAOYSA-N 0 0 324.406 0.335 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@H](C)[C@@H]1C)CC2 ZINC000140814595 158347019 /nfs/dbraw/zinc/34/70/19/158347019.db2.gz PSQZYDASEIFSGO-QJPTWQEYSA-N 0 0 307.398 0.974 10 0 DCAERN CNC(=O)NC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152471691 158350007 /nfs/dbraw/zinc/35/00/07/158350007.db2.gz GYTNJIVWRIETDA-SNVBAGLBSA-N 0 0 306.370 0.248 10 0 DCAERN COc1cccc(Cl)c1CC(=O)N1CCOC[C@H]1C(N)=O ZINC000154607129 158350706 /nfs/dbraw/zinc/35/07/06/158350706.db2.gz GKLMATCDPFRUHC-NSHDSACASA-N 0 0 312.753 0.604 10 0 DCAERN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3n[nH]nc3C2)cc1 ZINC000170240225 158373639 /nfs/dbraw/zinc/37/36/39/158373639.db2.gz VULLZMLEQVZJQP-MRVPVSSYSA-N 0 0 321.362 0.196 10 0 DCAERN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)NCCCN2CCCC2=O)C1 ZINC000170315937 158375005 /nfs/dbraw/zinc/37/50/05/158375005.db2.gz HKSFKPKCXNDDFB-BETUJISGSA-N 0 0 309.410 0.620 10 0 DCAERN COC[C@@H](C)N(C)C(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000170685639 158376248 /nfs/dbraw/zinc/37/62/48/158376248.db2.gz NYJROTJJFABJDA-OTTFEQOBSA-N 0 0 320.455 0.978 10 0 DCAERN CS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000170795515 158377233 /nfs/dbraw/zinc/37/72/33/158377233.db2.gz IHJKEFBOVHDHNX-VIFPVBQESA-N 0 0 303.409 0.273 10 0 DCAERN COC(=O)CCCNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000170918661 158378025 /nfs/dbraw/zinc/37/80/25/158378025.db2.gz CHHDCWGTYKNNKT-UHFFFAOYSA-N 0 0 323.740 0.999 10 0 DCAERN COCC[C@@H](C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000171205357 158381120 /nfs/dbraw/zinc/38/11/20/158381120.db2.gz YNXUMSXNEVGCNG-LLVKDONJSA-N 0 0 304.354 0.887 10 0 DCAERN COC(C)(C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000171594107 158384213 /nfs/dbraw/zinc/38/42/13/158384213.db2.gz OHXKHXPTBRHKQA-UHFFFAOYSA-N 0 0 319.405 0.855 10 0 DCAERN O=C(NCCCN1CCOCC1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171745319 158386649 /nfs/dbraw/zinc/38/66/49/158386649.db2.gz ZTBWPTLTLVRLGE-JKSUJKDBSA-N 0 0 319.405 0.666 10 0 DCAERN CC(C)c1noc(CCCNC(=O)N2CCNC(=O)[C@H]2C)n1 ZINC000171730140 158386814 /nfs/dbraw/zinc/38/68/14/158386814.db2.gz LBHZGVRABBHIAC-SNVBAGLBSA-N 0 0 309.370 0.656 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000171870594 158387399 /nfs/dbraw/zinc/38/73/99/158387399.db2.gz AYDUBABBCMPJPH-LBPRGKRZSA-N 0 0 322.413 0.003 10 0 DCAERN CN(C)C(=O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000172051661 158389943 /nfs/dbraw/zinc/38/99/43/158389943.db2.gz DJZWFMZEXDTQEF-SWLSCSKDSA-N 0 0 318.377 0.196 10 0 DCAERN CCc1nc(CNC(=O)N[C@H](C)CS(C)(=O)=O)cs1 ZINC000172265748 158392818 /nfs/dbraw/zinc/39/28/18/158392818.db2.gz VVPKXLDSGNCJAF-MRVPVSSYSA-N 0 0 305.425 0.938 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOCCOC)CC2 ZINC000172310906 158393435 /nfs/dbraw/zinc/39/34/35/158393435.db2.gz HBUXFGMTJFGDBV-LLVKDONJSA-N 0 0 311.386 0.118 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000172408774 158394316 /nfs/dbraw/zinc/39/43/16/158394316.db2.gz GRFQRRJRWXREOP-GFCCVEGCSA-N 0 0 324.402 0.370 10 0 DCAERN NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2)C1 ZINC000172650769 158397601 /nfs/dbraw/zinc/39/76/01/158397601.db2.gz LTQSAJRGDDJXHB-ONGXEEELSA-N 0 0 307.325 0.925 10 0 DCAERN O=C(CN1CCCCCCC1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172750284 158398484 /nfs/dbraw/zinc/39/84/84/158398484.db2.gz KBPYUKUHFBOKHH-HNNXBMFYSA-N 0 0 323.437 0.712 10 0 DCAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172750404 158398655 /nfs/dbraw/zinc/39/86/55/158398655.db2.gz QTTGTOYOVXARSH-CABCVRRESA-N 0 0 323.437 0.711 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000173471076 158406620 /nfs/dbraw/zinc/40/66/20/158406620.db2.gz VTGYPXPEMOAXKE-VHSXEESVSA-N 0 0 303.428 0.922 10 0 DCAERN O=C(CN1CCN(Cc2ccon2)CC1)NC[C@@H]1CCCO1 ZINC000173930380 158412709 /nfs/dbraw/zinc/41/27/09/158412709.db2.gz KYCSEMVBJMFTRF-AWEZNQCLSA-N 0 0 308.382 0.087 10 0 DCAERN CNS(=O)(=O)CC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000175205216 158425229 /nfs/dbraw/zinc/42/52/29/158425229.db2.gz RYCSFFAHWJYMTL-DGCLKSJQSA-N 0 0 312.391 0.524 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000175316703 158426547 /nfs/dbraw/zinc/42/65/47/158426547.db2.gz JQEAWFBLKKFFTB-GOEBONIOSA-N 0 0 311.341 0.586 10 0 DCAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)n1 ZINC000176876489 158442663 /nfs/dbraw/zinc/44/26/63/158442663.db2.gz JTWSBWHFUUVNLR-JSGCOSHPSA-N 0 0 322.409 0.848 10 0 DCAERN COCCCOC1CN(C(=O)c2ccc3c(c2)nnn3C)C1 ZINC000176911354 158443378 /nfs/dbraw/zinc/44/33/78/158443378.db2.gz LANXCXMTJSQVBE-UHFFFAOYSA-N 0 0 304.350 0.846 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(C=O)[nH]3)C2)cn1 ZINC000177075473 158444563 /nfs/dbraw/zinc/44/45/63/158444563.db2.gz UDVMWUJOJKVVPU-LLVKDONJSA-N 0 0 301.350 0.960 10 0 DCAERN CCNC(=O)C1CN(C(=O)CN(C)C(=O)c2cccs2)C1 ZINC000178142605 158454019 /nfs/dbraw/zinc/45/40/19/158454019.db2.gz SYXOABAGCBUMGF-UHFFFAOYSA-N 0 0 309.391 0.415 10 0 DCAERN C[C@]1(O)CCCN(C(=O)NCc2cccnc2-n2cncn2)C1 ZINC000179497202 158473184 /nfs/dbraw/zinc/47/31/84/158473184.db2.gz LGIPIRZUPDNMLN-HNNXBMFYSA-N 0 0 316.365 0.719 10 0 DCAERN CC[C@H](C)NC(=O)C[S@@](=O)Cc1nsc(N(C)C)n1 ZINC000180262457 158477257 /nfs/dbraw/zinc/47/72/57/158477257.db2.gz FWGSQWFGNMLKLJ-RLBGWGEZSA-N 0 0 304.441 0.768 10 0 DCAERN Cc1ccc(C[C@@H](C)N(C)C(=O)Cn2ncn(C)c2=O)cc1 ZINC000182069726 158489687 /nfs/dbraw/zinc/48/96/87/158489687.db2.gz HGZYYYJVZSIEJE-CYBMUJFWSA-N 0 0 302.378 0.980 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000182354609 158491392 /nfs/dbraw/zinc/49/13/92/158491392.db2.gz GOIJRKFUKSUUJN-LLVKDONJSA-N 0 0 314.411 0.769 10 0 DCAERN Cn1ccc(C(=O)N2CCN(c3cccs3)C(=O)C2)cc1=O ZINC000184080962 158505578 /nfs/dbraw/zinc/50/55/78/158505578.db2.gz PWXPWVUDWRLGGF-UHFFFAOYSA-N 0 0 317.370 0.936 10 0 DCAERN COc1ncncc1NC(=O)C(=O)NCCc1ccsc1 ZINC000184217488 158506706 /nfs/dbraw/zinc/50/67/06/158506706.db2.gz WIFNRVJYELXWPO-UHFFFAOYSA-N 0 0 306.347 0.844 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@](C)(O)C3)C2)cn1 ZINC000185527197 158521227 /nfs/dbraw/zinc/52/12/27/158521227.db2.gz DKXGMTLTYRUNOD-SWLSCSKDSA-N 0 0 307.398 0.555 10 0 DCAERN CN1C[C@H](C(=O)N2CCCN(c3ccccn3)CC2)CC1=O ZINC000186405213 158531069 /nfs/dbraw/zinc/53/10/69/158531069.db2.gz NYMIFGAEMJFGJW-CYBMUJFWSA-N 0 0 302.378 0.599 10 0 DCAERN CCCCO[C@H](C)C(=O)N1CCCN(CCOC)C(=O)C1 ZINC000189063043 158549840 /nfs/dbraw/zinc/54/98/40/158549840.db2.gz NPVAOTSERKTRDO-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCCN1c1nccs1 ZINC000189232769 158551023 /nfs/dbraw/zinc/55/10/23/158551023.db2.gz ZGNITRDZDONRFT-GHMZBOCLSA-N 0 0 308.407 0.849 10 0 DCAERN COc1cnccc1[C@@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC000189609969 158553812 /nfs/dbraw/zinc/55/38/12/158553812.db2.gz SBFCCDKSJFHFNC-NXEZZACHSA-N 0 0 300.380 0.948 10 0 DCAERN CCc1nn(C)c(CC)c1CC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000189613034 158553910 /nfs/dbraw/zinc/55/39/10/158553910.db2.gz RZAWYBJHYIVCBJ-OAHLLOKOSA-N 0 0 308.426 0.974 10 0 DCAERN CC[C@H](C(=O)N1CCN(c2cc(C)[nH]n2)CC1)N1CCCC1=O ZINC000189772496 158555750 /nfs/dbraw/zinc/55/57/50/158555750.db2.gz GIIDWDLDUAPTML-CYBMUJFWSA-N 0 0 319.409 0.768 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190214025 158558368 /nfs/dbraw/zinc/55/83/68/158558368.db2.gz JKCAHSYQNDGWKE-LBPRGKRZSA-N 0 0 312.391 0.825 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000190233010 158559088 /nfs/dbraw/zinc/55/90/88/158559088.db2.gz GUSHWQZBSXYVGR-ZIAGYGMSSA-N 0 0 305.382 0.897 10 0 DCAERN CCN1CN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)CC1=O ZINC000190514637 158560911 /nfs/dbraw/zinc/56/09/11/158560911.db2.gz WJOOXQAMEPNWAY-CYBMUJFWSA-N 0 0 307.350 0.682 10 0 DCAERN CCCNC(=O)c1cccc(CNC(=O)N2CC(CO)C2)c1 ZINC000191012809 158564904 /nfs/dbraw/zinc/56/49/04/158564904.db2.gz UAADLGXOAMLTNX-UHFFFAOYSA-N 0 0 305.378 0.960 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000191518102 158569128 /nfs/dbraw/zinc/56/91/28/158569128.db2.gz IZMPFMCBGOSQTM-QWHCGFSZSA-N 0 0 317.393 0.580 10 0 DCAERN CNC(=O)c1ccc(NC(=O)N2CCCN(C)C(=O)C2)cc1 ZINC000191839213 158571404 /nfs/dbraw/zinc/57/14/04/158571404.db2.gz WPKOZNAZHKKISS-UHFFFAOYSA-N 0 0 304.350 0.742 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N(C)C[C@@H](O)C(F)(F)F)C1 ZINC000192460047 158575465 /nfs/dbraw/zinc/57/54/65/158575465.db2.gz LUPGWYGFPNDDCN-DJLDLDEBSA-N 0 0 312.288 0.893 10 0 DCAERN CO[C@H](C)CS(=O)(=O)N1CCN(Cc2ccon2)CC1 ZINC000192924462 158578875 /nfs/dbraw/zinc/57/88/75/158578875.db2.gz NSVBMMIPKNWHAU-LLVKDONJSA-N 0 0 303.384 0.157 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nncn3C)C2)C1 ZINC000193068418 158580075 /nfs/dbraw/zinc/58/00/75/158580075.db2.gz KWEDHAAHXWNIII-UONOGXRCSA-N 0 0 319.409 0.780 10 0 DCAERN O=C(c1cnsn1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000194141363 158593680 /nfs/dbraw/zinc/59/36/80/158593680.db2.gz MBRHKVIRTLOIEH-JTQLQIEISA-N 0 0 310.379 0.249 10 0 DCAERN C[C@@H]1CN(c2ccnc(C(=O)NC3(CO)CC3)c2)C[C@H](C)O1 ZINC000194950782 158602493 /nfs/dbraw/zinc/60/24/93/158602493.db2.gz ULNMVJQCDUBGSE-TXEJJXNPSA-N 0 0 305.378 0.950 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247144156 158678976 /nfs/dbraw/zinc/67/89/76/158678976.db2.gz RBVCGNCPYKWYEV-GXTWGEPZSA-N 0 0 318.439 0.422 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000248038285 158688277 /nfs/dbraw/zinc/68/82/77/158688277.db2.gz LNXSIEWNLYBQPQ-NWANDNLSSA-N 0 0 308.403 0.770 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccco2)C[C@H]1N1CCOCC1 ZINC000249404892 158706902 /nfs/dbraw/zinc/70/69/02/158706902.db2.gz WEOGAVSXCIDVIA-VXGBXAGGSA-N 0 0 300.380 0.621 10 0 DCAERN CN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000263258733 158866384 /nfs/dbraw/zinc/86/63/84/158866384.db2.gz QQZXMVOGICUNEI-JTQLQIEISA-N 0 0 317.361 0.820 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)no1 ZINC000266316303 158890962 /nfs/dbraw/zinc/89/09/62/158890962.db2.gz QLIAVARAXAGGHG-SECBINFHSA-N 0 0 314.285 0.812 10 0 DCAERN Cc1cc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)sc1Cl ZINC000276514581 158944974 /nfs/dbraw/zinc/94/49/74/158944974.db2.gz FLYLUHVINOUEAO-SNVBAGLBSA-N 0 0 324.811 0.321 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)c(C)s1 ZINC000284647712 158962434 /nfs/dbraw/zinc/96/24/34/158962434.db2.gz GAQVDXSCCKHTFM-GFCCVEGCSA-N 0 0 318.420 0.366 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](CO)C3)C2)cn1 ZINC000304412361 158985578 /nfs/dbraw/zinc/98/55/78/158985578.db2.gz VDFHQODISCXXHE-ZIAGYGMSSA-N 0 0 321.425 0.803 10 0 DCAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 ZINC000304680411 158986529 /nfs/dbraw/zinc/98/65/29/158986529.db2.gz YZPMRAYEZWPPNM-WCQYABFASA-N 0 0 308.403 0.875 10 0 DCAERN C[C@@H](O)C(=O)N1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000305699586 158992262 /nfs/dbraw/zinc/99/22/62/158992262.db2.gz BEBMMOPDFZCCAC-GHMZBOCLSA-N 0 0 310.398 0.953 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)CCO2)n1 ZINC000328611202 159014230 /nfs/dbraw/zinc/01/42/30/159014230.db2.gz OIBIVCZDEJFYEZ-GJZGRUSLSA-N 0 0 319.409 0.359 10 0 DCAERN O=C(CN1CN=NC1=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000328651090 159017914 /nfs/dbraw/zinc/01/79/14/159017914.db2.gz JNXPWJWTFNDZJP-LBPRGKRZSA-N 0 0 305.313 0.296 10 0 DCAERN O=C([C@H]1CCCCS1(=O)=O)N1CCN[C@H](c2cccnc2)C1 ZINC000328665833 159018776 /nfs/dbraw/zinc/01/87/76/159018776.db2.gz ZNGPDODGMOSUTL-UONOGXRCSA-N 0 0 323.418 0.522 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000328673529 159019792 /nfs/dbraw/zinc/01/97/92/159019792.db2.gz JBLUKCKXLCWIJK-CHWSQXEVSA-N 0 0 323.393 0.440 10 0 DCAERN Cc1csc([C@H]2CN(C(=O)C3(O)CCOCC3)CCO2)n1 ZINC000328701068 159022508 /nfs/dbraw/zinc/02/25/08/159022508.db2.gz WLSSKECLUOKJDE-LLVKDONJSA-N 0 0 312.391 0.893 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)Cn2ccc(=O)[nH]c2=O)[nH]1 ZINC000328739672 159025568 /nfs/dbraw/zinc/02/55/68/159025568.db2.gz MRRUEZBOKUQCOL-JTQLQIEISA-N 0 0 318.337 0.129 10 0 DCAERN CO[C@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1OC ZINC000328739025 159025885 /nfs/dbraw/zinc/02/58/85/159025885.db2.gz HTUAQAIFCPFGLE-RYUDHWBXSA-N 0 0 302.334 0.958 10 0 DCAERN C[C@H](CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CCCCC1=O ZINC000328774169 159027983 /nfs/dbraw/zinc/02/79/83/159027983.db2.gz RZBMKDLPAYZUGN-GHMZBOCLSA-N 0 0 322.365 0.380 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)on1 ZINC000328834857 159033480 /nfs/dbraw/zinc/03/34/80/159033480.db2.gz LZPNHASRWQUCIH-STQMWFEESA-N 0 0 315.395 0.218 10 0 DCAERN Cc1cc(CS(=O)(=O)NCCc2c(C)nn(C)c2C)no1 ZINC000328876729 159037101 /nfs/dbraw/zinc/03/71/01/159037101.db2.gz KHTFLHRJFXCSCC-UHFFFAOYSA-N 0 0 312.395 0.995 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)nn1 ZINC000328930676 159042537 /nfs/dbraw/zinc/04/25/37/159042537.db2.gz ZEBMYPFPDADWEZ-CABCVRRESA-N 0 0 321.425 0.869 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329080645 159059133 /nfs/dbraw/zinc/05/91/33/159059133.db2.gz CSQKZNSGGHVNOM-AVGNSLFASA-N 0 0 311.382 0.392 10 0 DCAERN O=C(CO)N1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000329115252 159063017 /nfs/dbraw/zinc/06/30/17/159063017.db2.gz SPUPMADNSAYRKQ-GJZGRUSLSA-N 0 0 302.374 0.843 10 0 DCAERN Cc1cc(NC(=O)[C@H](C)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)on1 ZINC000329210114 159073170 /nfs/dbraw/zinc/07/31/70/159073170.db2.gz ZJKJBTQXXHRTKR-GARJFASQSA-N 0 0 313.379 0.429 10 0 DCAERN Cc1cn2nc(N3CC(n4cc(C(N)=O)nn4)C3)sc2n1 ZINC000329530028 159100004 /nfs/dbraw/zinc/10/00/04/159100004.db2.gz IOCAQKJAQYBAGJ-UHFFFAOYSA-N 0 0 304.339 0.635 10 0 DCAERN Cn1cc(N2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2=O)cn1 ZINC000329522651 159100079 /nfs/dbraw/zinc/10/00/79/159100079.db2.gz RFQJVMCTNVZPEZ-MRVWCRGKSA-N 0 0 304.350 0.020 10 0 DCAERN CN1CCc2ccc(S(=O)(=O)N3CC(n4ccnn4)C3)cc21 ZINC000329566949 159102448 /nfs/dbraw/zinc/10/24/48/159102448.db2.gz SYMRAYLDDYLHNW-UHFFFAOYSA-N 0 0 319.390 0.516 10 0 DCAERN O=C(COC[C@H]1CCOC1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329565136 159103057 /nfs/dbraw/zinc/10/30/57/159103057.db2.gz OEVVTDBXQVGGOH-LSDHHAIUSA-N 0 0 324.421 0.901 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)CCS1(=O)=O ZINC000329630709 159108131 /nfs/dbraw/zinc/10/81/31/159108131.db2.gz RARJFAZMWFQFGU-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3C[C@]34CCOC4)CCO2)c1 ZINC000329665383 159110155 /nfs/dbraw/zinc/11/01/55/159110155.db2.gz PVUKBUUTUPPLDP-LZWOXQAQSA-N 0 0 305.378 0.846 10 0 DCAERN CC[C@@H]1CN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)CCCO1 ZINC000329676246 159111315 /nfs/dbraw/zinc/11/13/15/159111315.db2.gz WBWMLNKLDKKNHJ-MRVWCRGKSA-N 0 0 324.381 0.506 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)nn1 ZINC000329712640 159114519 /nfs/dbraw/zinc/11/45/19/159114519.db2.gz QHFVHYSCKBFPBD-ZMJPVWNMSA-N 0 0 323.397 0.029 10 0 DCAERN O=C1CC[C@@H]2CN(S(=O)(=O)NCc3ccccc3)CCN12 ZINC000329836427 159122729 /nfs/dbraw/zinc/12/27/29/159122729.db2.gz LSSIRGRKXIFQQE-CYBMUJFWSA-N 0 0 309.391 0.328 10 0 DCAERN Cn1c(=O)cc(C(=O)N2CC(=O)N(C3CC3)C2)c2ccccc21 ZINC000329858379 159124609 /nfs/dbraw/zinc/12/46/09/159124609.db2.gz NYVZVLVUDNLOSC-UHFFFAOYSA-N 0 0 311.341 0.943 10 0 DCAERN C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3ccnn3C)CC2)CCO1 ZINC000329918248 159128802 /nfs/dbraw/zinc/12/88/02/159128802.db2.gz ZSTHFIIXUYDQNT-CYBMUJFWSA-N 0 0 306.410 0.674 10 0 DCAERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCn2ncnc2C1 ZINC000329960423 159132198 /nfs/dbraw/zinc/13/21/98/159132198.db2.gz NWJPQZNNLIOZTC-MNOVXSKESA-N 0 0 323.422 0.568 10 0 DCAERN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000329990575 159133704 /nfs/dbraw/zinc/13/37/04/159133704.db2.gz JBCZRHCWAQWADX-IACUBPJLSA-N 0 0 319.405 0.609 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)C3(O)CCOCC3)CC2)n1 ZINC000330013004 159135316 /nfs/dbraw/zinc/13/53/16/159135316.db2.gz LMHIPXOJHOPDKV-NSHDSACASA-N 0 0 324.381 0.125 10 0 DCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C[C@@H](C)S1=O ZINC000330128287 159144064 /nfs/dbraw/zinc/14/40/64/159144064.db2.gz NLRPQAAUXNJTPW-IJLUTSLNSA-N 0 0 315.439 0.602 10 0 DCAERN COc1cccc(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000330136070 159144570 /nfs/dbraw/zinc/14/45/70/159144570.db2.gz TXWOLQPOHAYMHZ-HIFRSBDPSA-N 0 0 319.405 0.812 10 0 DCAERN O=C(c1cnc2n(c1=O)CCS2)N1CCO[C@@H](C2CC2)C1 ZINC000330168653 159147252 /nfs/dbraw/zinc/14/72/52/159147252.db2.gz CTRMGRFMRALPRB-LLVKDONJSA-N 0 0 307.375 0.600 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC(OCC(F)F)C1 ZINC000330331504 159160582 /nfs/dbraw/zinc/16/05/82/159160582.db2.gz OCIQYBGRDCZMSP-ZWNOBZJWSA-N 0 0 315.320 0.990 10 0 DCAERN CCOC(=O)CCS(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000330365792 159163248 /nfs/dbraw/zinc/16/32/48/159163248.db2.gz GZZDGFLITCWOSH-SECBINFHSA-N 0 0 319.301 0.269 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCNC(=O)C(C)C ZINC000330480524 159179824 /nfs/dbraw/zinc/17/98/24/159179824.db2.gz RTWVNBXPJIIGKU-NSHDSACASA-N 0 0 301.412 0.186 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000332732174 159210626 /nfs/dbraw/zinc/21/06/26/159210626.db2.gz WKXDPTUTURGFEL-RBSFLKMASA-N 0 0 324.421 0.681 10 0 DCAERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000332758569 159213258 /nfs/dbraw/zinc/21/32/58/159213258.db2.gz OBWDCOSYBWHCIX-MPKXVKKWSA-N 0 0 304.350 0.446 10 0 DCAERN CN1C[C@@H](NC(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1=O ZINC000332785475 159213734 /nfs/dbraw/zinc/21/37/34/159213734.db2.gz GHQGMMRBYDMHNI-WDEREUQCSA-N 0 0 311.407 0.035 10 0 DCAERN C[C@@H](CC(=O)N1CC[C@]2(CNC(=O)C2)C1)NC(=O)C1CCCC1 ZINC000332918994 159217104 /nfs/dbraw/zinc/21/71/04/159217104.db2.gz AWQVFLXXVJHBPN-SJCJKPOMSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[C@H](C(N)=O)O1 ZINC000366803409 159288347 /nfs/dbraw/zinc/28/83/47/159288347.db2.gz FOYVGZIKDRRQAI-NZEXEKPDSA-N 0 0 323.393 0.228 10 0 DCAERN Cn1cc(S(=O)(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cn1 ZINC000366927624 159298740 /nfs/dbraw/zinc/29/87/40/159298740.db2.gz ZINXHSLZQWWJDH-SNVBAGLBSA-N 0 0 323.378 0.859 10 0 DCAERN COC[C@H](O)CCNC(=O)C(=O)Nc1cccc2c1OCCC2 ZINC000367288382 159327899 /nfs/dbraw/zinc/32/78/99/159327899.db2.gz WLVKYNPBLQVJAZ-GFCCVEGCSA-N 0 0 322.361 0.464 10 0 DCAERN CC(C)c1nnc2n1CCN(CCS(=O)(=O)N(C)C)[C@@H]2C ZINC000367525192 159342893 /nfs/dbraw/zinc/34/28/93/159342893.db2.gz RNKUAXIXVISNDP-LLVKDONJSA-N 0 0 315.443 0.670 10 0 DCAERN COc1cc(C(=O)N2CCOCC[C@@H]2C)ccc1OCC(N)=O ZINC000367655848 159349401 /nfs/dbraw/zinc/34/94/01/159349401.db2.gz DJKBWEJHYWKELC-NSHDSACASA-N 0 0 322.361 0.810 10 0 DCAERN O=C(C1CC1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000367909619 159363969 /nfs/dbraw/zinc/36/39/69/159363969.db2.gz XKTRQXGBEVGWBD-UHFFFAOYSA-N 0 0 306.387 1.000 10 0 DCAERN COC(=O)[C@H]1CC[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000370103591 159497320 /nfs/dbraw/zinc/49/73/20/159497320.db2.gz GBLNXEZNFLNHAL-IHRRRGAJSA-N 0 0 310.394 0.509 10 0 DCAERN O=C(CNC(=O)C(=O)Nc1cccc2c1OCCC2)NC1CC1 ZINC000370495038 159523041 /nfs/dbraw/zinc/52/30/41/159523041.db2.gz OYNJEHNUYWMMHY-UHFFFAOYSA-N 0 0 317.345 0.345 10 0 DCAERN CCN1C(=O)[C@H]2CN(C(=O)Cc3cccc(O)c3)CCN2C1=O ZINC000371926635 159593758 /nfs/dbraw/zinc/59/37/58/159593758.db2.gz JYBVRCVWZNHHQT-CYBMUJFWSA-N 0 0 317.345 0.430 10 0 DCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCC[C@H](C)C1 ZINC000373069525 159658817 /nfs/dbraw/zinc/65/88/17/159658817.db2.gz JUGCIWJMTNHOCQ-SRVKXCTJSA-N 0 0 312.366 0.034 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)CC1=O ZINC000374216140 159723719 /nfs/dbraw/zinc/72/37/19/159723719.db2.gz FXDPAOZJOOWSRV-WVWOOGAGSA-N 0 0 316.405 0.651 10 0 DCAERN CCn1ncnc1CN1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374349545 159730281 /nfs/dbraw/zinc/73/02/81/159730281.db2.gz ZMPFNWPVSRABBR-AWEZNQCLSA-N 0 0 321.425 0.805 10 0 DCAERN Cc1ccc(-c2nnn(CC(=O)N3CC(n4ccnn4)C3)n2)cc1 ZINC000374832787 159754349 /nfs/dbraw/zinc/75/43/49/159754349.db2.gz AOHCXPDYTMCVAB-UHFFFAOYSA-N 0 0 324.348 0.324 10 0 DCAERN COCc1cccc(CC(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000375279880 159782000 /nfs/dbraw/zinc/78/20/00/159782000.db2.gz PSMJOZOXZANEQM-INIZCTEOSA-N 0 0 304.390 0.919 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000375839122 159823364 /nfs/dbraw/zinc/82/33/64/159823364.db2.gz LJSRNYCBGAOCLN-KWCYVHTRSA-N 0 0 320.393 0.704 10 0 DCAERN CC[C@@H](C)N1CC(=O)N([C@H]2CCN(C3CCOCC3)C2=O)C1=O ZINC000376026306 159834020 /nfs/dbraw/zinc/83/40/20/159834020.db2.gz QQMRQLSPLGHOFA-YPMHNXCESA-N 0 0 323.393 0.829 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CCNC(=O)C3(C)C)nc2n1 ZINC000407952387 159995368 /nfs/dbraw/zinc/99/53/68/159995368.db2.gz WKZMUUFDNZDKKR-UHFFFAOYSA-N 0 0 316.365 0.021 10 0 DCAERN C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@H]1CCCO1 ZINC000407970577 159999873 /nfs/dbraw/zinc/99/98/73/159999873.db2.gz ZTEUTFXZXAXSEV-VXGBXAGGSA-N 0 0 319.427 0.231 10 0 DCAERN CCN(CC)S(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000407973524 160000199 /nfs/dbraw/zinc/00/01/99/160000199.db2.gz QJINDRBFORNCEC-LBPRGKRZSA-N 0 0 305.444 0.810 10 0 DCAERN C[C@H](C(=O)N1CC(=O)N(C)[C@@H](C)C1)n1nnnc1C(C)(C)C ZINC000407972660 160000243 /nfs/dbraw/zinc/00/02/43/160000243.db2.gz VFQHPGTXTCHYKA-VHSXEESVSA-N 0 0 308.386 0.221 10 0 DCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407976221 160000860 /nfs/dbraw/zinc/00/08/60/160000860.db2.gz ZEVKKFRNMKAGRN-WDEREUQCSA-N 0 0 321.425 0.840 10 0 DCAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000407978852 160001685 /nfs/dbraw/zinc/00/16/85/160001685.db2.gz ILFTVXBTIAASRQ-RWMBFGLXSA-N 0 0 309.410 0.666 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[nH]1 ZINC000407981357 160001711 /nfs/dbraw/zinc/00/17/11/160001711.db2.gz SYKZUOLBBRJPDO-GARJFASQSA-N 0 0 307.354 0.200 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000407982987 160002875 /nfs/dbraw/zinc/00/28/75/160002875.db2.gz ARVXEGYRYAGHJB-GHMZBOCLSA-N 0 0 310.398 0.354 10 0 DCAERN COC(=O)C1CCN(C(=O)[C@H](C)N2CCC(=O)[C@@H](C)C2)CC1 ZINC000407986312 160003191 /nfs/dbraw/zinc/00/31/91/160003191.db2.gz SPJRPBLVEDEDDL-RYUDHWBXSA-N 0 0 310.394 0.697 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1(SC)CCOCC1 ZINC000407988791 160004370 /nfs/dbraw/zinc/00/43/70/160004370.db2.gz FXJMEARYEVERCD-LLVKDONJSA-N 0 0 315.439 0.819 10 0 DCAERN Cc1[nH]n(C)c2nnc(NC(=O)C(=O)N3CCC(C)CC3)c1-2 ZINC000407989279 160004576 /nfs/dbraw/zinc/00/45/76/160004576.db2.gz IYTJJZLBWORQKZ-UHFFFAOYSA-N 0 0 304.354 0.802 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@]1(O)CCOC1 ZINC000407993160 160004987 /nfs/dbraw/zinc/00/49/87/160004987.db2.gz LXEFMMVZUJUDTC-ABAIWWIYSA-N 0 0 323.397 0.687 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CCC([C@@H](C)O)CC2)co1 ZINC000407998950 160006748 /nfs/dbraw/zinc/00/67/48/160006748.db2.gz UADOXIPHLIHOOD-SECBINFHSA-N 0 0 316.379 0.421 10 0 DCAERN CC(C)C(=O)N1CCC(NC(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000408001919 160008052 /nfs/dbraw/zinc/00/80/52/160008052.db2.gz CUNASUXBPIHYDZ-CYBMUJFWSA-N 0 0 311.426 0.470 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408008599 160009665 /nfs/dbraw/zinc/00/96/65/160009665.db2.gz OYJXPIZYTZATHA-TUAOUCFPSA-N 0 0 303.428 0.420 10 0 DCAERN CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)N1CCCCCC1 ZINC000408015499 160011194 /nfs/dbraw/zinc/01/11/94/160011194.db2.gz CKPGGFBIRGZCEL-STQMWFEESA-N 0 0 322.471 0.855 10 0 DCAERN O=C(c1nccn2ccnc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000408015339 160011367 /nfs/dbraw/zinc/01/13/67/160011367.db2.gz BGYJLECJWLZMJF-GFCCVEGCSA-N 0 0 301.350 0.276 10 0 DCAERN Cc1cc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)nc(C)n1 ZINC000408015208 160011553 /nfs/dbraw/zinc/01/15/53/160011553.db2.gz AFSRAZNGGJXWSI-WDEREUQCSA-N 0 0 314.411 0.537 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000408017742 160012048 /nfs/dbraw/zinc/01/20/48/160012048.db2.gz VCGZVQREWXPXOZ-TZMCWYRMSA-N 0 0 305.378 0.888 10 0 DCAERN CN(C(=O)NC[C@]1(C)CCCC[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000408020036 160013270 /nfs/dbraw/zinc/01/32/70/160013270.db2.gz YSPXBDBRLOTOIF-SCRDCRAPSA-N 0 0 318.439 0.756 10 0 DCAERN C[C@@H]1C[C@@H](CNC(=O)N2CCOC[C@@H]2c2ncnn2C)CCO1 ZINC000408021477 160013517 /nfs/dbraw/zinc/01/35/17/160013517.db2.gz IGRPYUZKSOGOSZ-FRRDWIJNSA-N 0 0 323.397 0.713 10 0 DCAERN NC(=O)c1cccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)n1 ZINC000408021819 160013686 /nfs/dbraw/zinc/01/36/86/160013686.db2.gz OUDLDKMAGKWIOC-OAHLLOKOSA-N 0 0 317.349 0.315 10 0 DCAERN Cc1occc1C(=O)NCC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408022174 160013743 /nfs/dbraw/zinc/01/37/43/160013743.db2.gz KPJALNHZOVRLAF-KGLIPLIRSA-N 0 0 321.377 0.249 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@@H]21 ZINC000408021108 160013894 /nfs/dbraw/zinc/01/38/94/160013894.db2.gz GWARUGHWDDTQOY-RYUDHWBXSA-N 0 0 318.439 0.131 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408029693 160015453 /nfs/dbraw/zinc/01/54/53/160015453.db2.gz XZVPIWQPOJFQTE-AVGNSLFASA-N 0 0 307.412 0.621 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000408029338 160015498 /nfs/dbraw/zinc/01/54/98/160015498.db2.gz HWWLDHXEABJZRC-HNNXBMFYSA-N 0 0 305.378 0.371 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cn1 ZINC000408028559 160016112 /nfs/dbraw/zinc/01/61/12/160016112.db2.gz PUUMCSXVRNIFRL-UONOGXRCSA-N 0 0 311.407 0.484 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408029894 160016615 /nfs/dbraw/zinc/01/66/15/160016615.db2.gz WBOHUMYSXOVZME-NSHDSACASA-N 0 0 317.415 0.253 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC000408030688 160017064 /nfs/dbraw/zinc/01/70/64/160017064.db2.gz MTSVSNAEWMWNNC-AWEZNQCLSA-N 0 0 324.425 0.745 10 0 DCAERN Cc1noc([C@H]2CN([C@@H](C)C(=O)NC(C)(C)C)CCN2C)n1 ZINC000408033901 160017835 /nfs/dbraw/zinc/01/78/35/160017835.db2.gz BRYFNSFKYZJFCU-CMPLNLGQSA-N 0 0 309.414 0.970 10 0 DCAERN Cc1noc([C@@H]2CN([C@@H](C)C(=O)N(C)C(C)C)CCN2C)n1 ZINC000408033952 160018077 /nfs/dbraw/zinc/01/80/77/160018077.db2.gz BYMNMOJGBMJKMA-AAEUAGOBSA-N 0 0 309.414 0.922 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1c1ncc(Cl)cn1)N1CCOCC1 ZINC000408035420 160018946 /nfs/dbraw/zinc/01/89/46/160018946.db2.gz YDAYMWRJRMWMNB-MNOVXSKESA-N 0 0 314.748 0.906 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)C1 ZINC000408048781 160022629 /nfs/dbraw/zinc/02/26/29/160022629.db2.gz PTQLPJDZNVWPKO-MELADBBJSA-N 0 0 309.410 0.618 10 0 DCAERN CC[C@H](OC)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408050061 160023365 /nfs/dbraw/zinc/02/33/65/160023365.db2.gz CDXGXHVDDSSQPC-WOPDTQHZSA-N 0 0 302.346 0.209 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000408052676 160024266 /nfs/dbraw/zinc/02/42/66/160024266.db2.gz CQYCAXPNGGQIDD-IJEWVQPXSA-N 0 0 312.410 0.680 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1C(N)=O ZINC000408054876 160024398 /nfs/dbraw/zinc/02/43/98/160024398.db2.gz PEGYXZLLLIDFCF-JHJVBQTASA-N 0 0 323.437 0.851 10 0 DCAERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1C[C@H](O)C[C@@H]1CO ZINC000408052739 160024538 /nfs/dbraw/zinc/02/45/38/160024538.db2.gz CZSKZTBPWCGKKN-AAVRWANBSA-N 0 0 305.378 0.108 10 0 DCAERN C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@H]1C(N)=O ZINC000408054475 160024559 /nfs/dbraw/zinc/02/45/59/160024559.db2.gz LZOAAXHOYVZPPP-KGYLQXTDSA-N 0 0 307.394 0.215 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)C1 ZINC000408055576 160025182 /nfs/dbraw/zinc/02/51/82/160025182.db2.gz YSEGCKIATXQHBT-NUEKZKHPSA-N 0 0 312.410 0.417 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3CCCNC3=O)ccc21 ZINC000408055699 160025412 /nfs/dbraw/zinc/02/54/12/160025412.db2.gz ZMOQFYJGMBABCD-ZDUSSCGKSA-N 0 0 301.346 0.604 10 0 DCAERN CO[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)CC[C@@H]1C ZINC000408059080 160025730 /nfs/dbraw/zinc/02/57/30/160025730.db2.gz BOYJYTYIXMSXFF-RYUDHWBXSA-N 0 0 319.423 0.464 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C(N)=O ZINC000408058760 160025735 /nfs/dbraw/zinc/02/57/35/160025735.db2.gz DHMSIBRQBXESAE-DLVJRCHESA-N 0 0 311.407 0.020 10 0 DCAERN NC(=O)NC1(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000408058327 160025979 /nfs/dbraw/zinc/02/59/79/160025979.db2.gz ALKKQYXLPIIHEE-NSHDSACASA-N 0 0 308.382 0.048 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408066324 160027175 /nfs/dbraw/zinc/02/71/75/160027175.db2.gz XDKYSVSNANOZTL-MGPQQGTHSA-N 0 0 310.394 0.291 10 0 DCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000408071707 160029257 /nfs/dbraw/zinc/02/92/57/160029257.db2.gz DKOFMGKOCXBKDQ-OLZOCXBDSA-N 0 0 323.393 0.592 10 0 DCAERN COC(=O)C1(O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000408081392 160031875 /nfs/dbraw/zinc/03/18/75/160031875.db2.gz VMZQZJLZQPEHPJ-JTQLQIEISA-N 0 0 307.350 0.356 10 0 DCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000408080392 160032091 /nfs/dbraw/zinc/03/20/91/160032091.db2.gz KKWOOLGKQZPXIY-OUAUKWLOSA-N 0 0 303.380 0.221 10 0 DCAERN CC[C@@]1(C)COCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408090586 160033438 /nfs/dbraw/zinc/03/34/38/160033438.db2.gz VLSJJOYAMNBGDS-HNNXBMFYSA-N 0 0 319.365 0.158 10 0 DCAERN C[C@@H]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C[C@H]1O ZINC000408094752 160034937 /nfs/dbraw/zinc/03/49/37/160034937.db2.gz JBTGQMFISCRBBH-AAVRWANBSA-N 0 0 322.405 0.781 10 0 DCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408095091 160035004 /nfs/dbraw/zinc/03/50/04/160035004.db2.gz LBSYPGAMXOLSRL-RYDUCSDGSA-N 0 0 310.398 0.162 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC000408096196 160035235 /nfs/dbraw/zinc/03/52/35/160035235.db2.gz XCICUKSWFZBIIE-PWSUYJOCSA-N 0 0 312.391 0.485 10 0 DCAERN CN(C)C(=O)c1ccc(N2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000408103383 160036618 /nfs/dbraw/zinc/03/66/18/160036618.db2.gz AJXYJYXXKASFPY-INIZCTEOSA-N 0 0 302.378 0.890 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCOC[C@@H]2C)c1 ZINC000408109910 160038027 /nfs/dbraw/zinc/03/80/27/160038027.db2.gz INMBGGJNIJOPMJ-JTQLQIEISA-N 0 0 313.379 0.847 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(C)C[C@H]1C ZINC000408116725 160039570 /nfs/dbraw/zinc/03/95/70/160039570.db2.gz ZKOSIOHFVOVXBL-MRVPVSSYSA-N 0 0 301.368 0.012 10 0 DCAERN CC(C)[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408117619 160040472 /nfs/dbraw/zinc/04/04/72/160040472.db2.gz FQWWZZTYZUIGCI-HZSPNIEDSA-N 0 0 312.410 0.801 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCSC[C@@H]1CCO ZINC000408125760 160042920 /nfs/dbraw/zinc/04/29/20/160042920.db2.gz FEHDFFDVFDMDHN-QWRGUYRKSA-N 0 0 318.464 0.624 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408129644 160043717 /nfs/dbraw/zinc/04/37/17/160043717.db2.gz QUPJDJDKCMYFIL-LBPRGKRZSA-N 0 0 316.423 0.282 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000408132603 160044201 /nfs/dbraw/zinc/04/42/01/160044201.db2.gz KQCIXHNCWRINBD-UHFFFAOYSA-N 0 0 313.427 0.431 10 0 DCAERN CCC(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@H](C)C2)C1 ZINC000408132209 160044310 /nfs/dbraw/zinc/04/43/10/160044310.db2.gz IVMICRSKDLZUBB-RYUDHWBXSA-N 0 0 303.428 0.564 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408134390 160045299 /nfs/dbraw/zinc/04/52/99/160045299.db2.gz UAHNEQJIWAOVQZ-LLVKDONJSA-N 0 0 301.416 0.817 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NCC2CCSCC2)CCO1 ZINC000408154398 160049016 /nfs/dbraw/zinc/04/90/16/160049016.db2.gz KBAPCDNCUQCMDI-NSHDSACASA-N 0 0 302.396 0.713 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCc3c(F)cc(F)cc3C2)O1 ZINC000408152482 160049306 /nfs/dbraw/zinc/04/93/06/160049306.db2.gz ASOIQJNKNMFYPZ-STQMWFEESA-N 0 0 310.300 0.882 10 0 DCAERN C[C@H]1C[C@H](C(=O)NCC2(C(=O)N(C)C)CCCC2)CC(=O)N1 ZINC000408164515 160051054 /nfs/dbraw/zinc/05/10/54/160051054.db2.gz IFAPBLDKWJGSMD-RYUDHWBXSA-N 0 0 309.410 0.666 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408182744 160054037 /nfs/dbraw/zinc/05/40/37/160054037.db2.gz MXZORNHRMCHDHB-AWEZNQCLSA-N 0 0 319.471 0.616 10 0 DCAERN Cc1noc(C)c1CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408179858 160054507 /nfs/dbraw/zinc/05/45/07/160054507.db2.gz JLEUSQSSYRJZEF-SNVBAGLBSA-N 0 0 316.383 0.125 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000408186432 160054892 /nfs/dbraw/zinc/05/48/92/160054892.db2.gz HUNDFSOFHOKDEW-GFCCVEGCSA-N 0 0 304.412 0.153 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NCCCN2CCOCC2)CCO1 ZINC000408192304 160056955 /nfs/dbraw/zinc/05/69/55/160056955.db2.gz MKQUISNOYQNFKH-OLZOCXBDSA-N 0 0 306.428 0.196 10 0 DCAERN C[C@H]1C[C@@H](S(=O)(=O)NCCCN2CCOCC2)CCO1 ZINC000408192307 160056972 /nfs/dbraw/zinc/05/69/72/160056972.db2.gz MKQUISNOYQNFKH-STQMWFEESA-N 0 0 306.428 0.196 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000408198088 160057268 /nfs/dbraw/zinc/05/72/68/160057268.db2.gz PIODQYBQCIQGRP-MNOVXSKESA-N 0 0 316.423 0.327 10 0 DCAERN COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)nn1 ZINC000408198271 160057382 /nfs/dbraw/zinc/05/73/82/160057382.db2.gz QNKWVCFODNHSAX-LBPRGKRZSA-N 0 0 318.377 0.960 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC(=O)N1 ZINC000408201176 160058352 /nfs/dbraw/zinc/05/83/52/160058352.db2.gz DFFSNFCGOGCMRC-NDBYEHHHSA-N 0 0 309.410 0.664 10 0 DCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)CC(=O)N1 ZINC000408203247 160059314 /nfs/dbraw/zinc/05/93/14/160059314.db2.gz KUECTSUUYWMGCK-QJPTWQEYSA-N 0 0 321.381 0.318 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000408207927 160060200 /nfs/dbraw/zinc/06/02/00/160060200.db2.gz YKUNOOPMXAYOFI-ZOBORPQBSA-N 0 0 311.426 0.205 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1(C)C ZINC000408208226 160060698 /nfs/dbraw/zinc/06/06/98/160060698.db2.gz ZNCZCUNRZOINJD-NEPJUHHUSA-N 0 0 309.410 0.759 10 0 DCAERN CC(=O)N1CCC(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000408210086 160060918 /nfs/dbraw/zinc/06/09/18/160060918.db2.gz YBBRRDWRPIGAHC-UONOGXRCSA-N 0 0 324.425 0.588 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000408218552 160062488 /nfs/dbraw/zinc/06/24/88/160062488.db2.gz SSAADTHSDXQWCI-CHWSQXEVSA-N 0 0 310.398 0.306 10 0 DCAERN CN(C)c1nccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000408217282 160062517 /nfs/dbraw/zinc/06/25/17/160062517.db2.gz LLGPAQVWCZQNBZ-CYBMUJFWSA-N 0 0 319.409 0.618 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCOC[C@H]2C)c1 ZINC000408220914 160063074 /nfs/dbraw/zinc/06/30/74/160063074.db2.gz ATNUCDBSNXAJJV-SNVBAGLBSA-N 0 0 315.395 0.562 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000408221723 160063220 /nfs/dbraw/zinc/06/32/20/160063220.db2.gz KPNIGIUGXGRNRK-QLJPJBMISA-N 0 0 323.393 0.793 10 0 DCAERN CN(CC(=O)N1CCCCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000408220817 160063260 /nfs/dbraw/zinc/06/32/60/160063260.db2.gz ZTKWFORPMHWFBK-CYBMUJFWSA-N 0 0 302.440 0.756 10 0 DCAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC(=O)NC2)C1 ZINC000408224434 160064145 /nfs/dbraw/zinc/06/41/45/160064145.db2.gz WOSVQFLJAYTRQI-CHWSQXEVSA-N 0 0 324.425 0.459 10 0 DCAERN Cc1nnc([C@@H]2CN(CC(=O)NC3CCCCC3)CCO2)[nH]1 ZINC000408230897 160064806 /nfs/dbraw/zinc/06/48/06/160064806.db2.gz DPDZCIOTFTUTQM-ZDUSSCGKSA-N 0 0 307.398 0.935 10 0 DCAERN Cc1nnc([C@H]2CN(CC(=O)NC3CCCCC3)CCO2)[nH]1 ZINC000408230894 160064838 /nfs/dbraw/zinc/06/48/38/160064838.db2.gz DPDZCIOTFTUTQM-CYBMUJFWSA-N 0 0 307.398 0.935 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1CCC[C@H]1O ZINC000408234852 160065485 /nfs/dbraw/zinc/06/54/85/160065485.db2.gz IAIOZVDPYDJAOH-FVCCEPFGSA-N 0 0 308.378 0.439 10 0 DCAERN O=S(=O)(Nc1cnn(-c2ncccn2)c1)N1CCCCC1 ZINC000408232864 160065761 /nfs/dbraw/zinc/06/57/61/160065761.db2.gz WRWCZJINDGUHNP-UHFFFAOYSA-N 0 0 308.367 0.805 10 0 DCAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1cnn(C)c1 ZINC000408234205 160065818 /nfs/dbraw/zinc/06/58/18/160065818.db2.gz CVILDWSLEZHFBV-NXEZZACHSA-N 0 0 300.384 0.310 10 0 DCAERN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408237730 160066692 /nfs/dbraw/zinc/06/66/92/160066692.db2.gz RSIRTCTYHALMRD-VWYCJHECSA-N 0 0 308.400 0.081 10 0 DCAERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)n(C)n1 ZINC000408240935 160066751 /nfs/dbraw/zinc/06/67/51/160066751.db2.gz GPYVIXKOYALBAF-WDEREUQCSA-N 0 0 314.411 0.319 10 0 DCAERN CNS(=O)(=O)NC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000408242374 160067828 /nfs/dbraw/zinc/06/78/28/160067828.db2.gz SZAWSKDYSPRENU-UHFFFAOYSA-N 0 0 312.439 0.717 10 0 DCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1 ZINC000408245815 160068248 /nfs/dbraw/zinc/06/82/48/160068248.db2.gz YAPJDFJGLBDLAS-RYUDHWBXSA-N 0 0 304.412 0.488 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408245260 160068420 /nfs/dbraw/zinc/06/84/20/160068420.db2.gz TUYMMHPQWMCDCM-JTQLQIEISA-N 0 0 319.427 0.072 10 0 DCAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408248641 160069378 /nfs/dbraw/zinc/06/93/78/160069378.db2.gz WMIVDYAUCDOUPR-GUYCJALGSA-N 0 0 321.421 0.906 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000408247962 160069442 /nfs/dbraw/zinc/06/94/42/160069442.db2.gz QVXFDFJRUZWSFB-FQUUOJAGSA-N 0 0 321.421 0.761 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)N1CC[C@H](C)C1 ZINC000408257968 160070408 /nfs/dbraw/zinc/07/04/08/160070408.db2.gz WUMWXXFILSLPPY-RVMXOQNASA-N 0 0 316.423 0.847 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000408254331 160070834 /nfs/dbraw/zinc/07/08/34/160070834.db2.gz MGYPCFQPGVTQNS-WTIISPKJSA-N 0 0 318.439 0.802 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000408270968 160073249 /nfs/dbraw/zinc/07/32/49/160073249.db2.gz TXQIJAIGPZMZAJ-OLZOCXBDSA-N 0 0 318.439 0.541 10 0 DCAERN CC[C@@H](C(=O)N1CC[C@](O)(C(F)(F)F)C1)N1CCCC1=O ZINC000408272932 160073261 /nfs/dbraw/zinc/07/32/61/160073261.db2.gz LBDXNPQLKNFFDN-JOYOIKCWSA-N 0 0 308.300 0.913 10 0 DCAERN Cn1cc(C[C@@H](O)C(=O)N2CCC[C@]3(CCCOC3)C2)cn1 ZINC000408274874 160074177 /nfs/dbraw/zinc/07/41/77/160074177.db2.gz PXJNAHUTOJEVPH-ZBFHGGJFSA-N 0 0 307.394 0.743 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@@]2(CCOC2)C1)[S@@](C)=O ZINC000408274975 160074297 /nfs/dbraw/zinc/07/42/97/160074297.db2.gz QZDHRMLEMMPNPT-POEZALAKSA-N 0 0 304.412 0.344 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408274342 160074663 /nfs/dbraw/zinc/07/46/63/160074663.db2.gz KMGZVGWVVAEXNO-YPMHNXCESA-N 0 0 320.411 0.011 10 0 DCAERN CNC(=O)c1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cn1 ZINC000408277701 160075034 /nfs/dbraw/zinc/07/50/34/160075034.db2.gz QPSOFRMMCRLIJG-OAHLLOKOSA-N 0 0 305.334 0.073 10 0 DCAERN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](O)C[C@@H]2C)c1 ZINC000408291969 160077395 /nfs/dbraw/zinc/07/73/95/160077395.db2.gz AXQCNQCFXZVPQI-VHSXEESVSA-N 0 0 315.395 0.297 10 0 DCAERN CCn1cnc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000408301362 160079990 /nfs/dbraw/zinc/07/99/90/160079990.db2.gz RUWWKGIUSHQZJL-NEPJUHHUSA-N 0 0 300.428 0.864 10 0 DCAERN COc1ccnc(N2CCN(C(=O)[C@H]3CCSC3)CC2)n1 ZINC000408302601 160079999 /nfs/dbraw/zinc/07/99/99/160079999.db2.gz HGGARXLEKBAKBL-NSHDSACASA-N 0 0 308.407 0.887 10 0 DCAERN CCn1cnc(S(=O)(=O)N2CCCN(C(C)=O)CC2)c1 ZINC000408300980 160080234 /nfs/dbraw/zinc/08/02/34/160080234.db2.gz MKNDAEIYAPZCBB-UHFFFAOYSA-N 0 0 300.384 0.146 10 0 DCAERN O=S(=O)(CC(F)(F)F)[N-]C[C@H]1CN(C2CC2)CCO1 ZINC000408310678 160082669 /nfs/dbraw/zinc/08/26/69/160082669.db2.gz TYJPROYJISXTFI-VIFPVBQESA-N 0 0 302.318 0.331 10 0 DCAERN CCc1cnc(CNS(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000408334700 160087031 /nfs/dbraw/zinc/08/70/31/160087031.db2.gz BXIBCTGHTORXES-VHSXEESVSA-N 0 0 303.384 0.681 10 0 DCAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC23CCC3)cn1 ZINC000408337716 160087368 /nfs/dbraw/zinc/08/73/68/160087368.db2.gz WCDAMRRCGRGREU-UHFFFAOYSA-N 0 0 316.404 0.802 10 0 DCAERN C[C@@H](CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)[S@@](C)=O ZINC000408339333 160088035 /nfs/dbraw/zinc/08/80/35/160088035.db2.gz PKRQDCCEHAABFU-RYDOPVQFSA-N 0 0 312.457 0.087 10 0 DCAERN C[C@H](CCNC(=O)N1CCS(=O)(=O)C(C)(C)C1)[S@@](C)=O ZINC000408345477 160089025 /nfs/dbraw/zinc/08/90/25/160089025.db2.gz BGOUTHMAXFTICK-GIGQVBGESA-N 0 0 324.468 0.362 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@@H](c2nnc(CC)o2)C1 ZINC000408360880 160092419 /nfs/dbraw/zinc/09/24/19/160092419.db2.gz ACQZKRRLSONKOS-SECBINFHSA-N 0 0 304.372 0.250 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1OC ZINC000408366228 160093400 /nfs/dbraw/zinc/09/34/00/160093400.db2.gz WDQFHLQWGOVYFD-ICUOPCATSA-N 0 0 314.407 0.313 10 0 DCAERN C[C@@]1(CO)CCC[C@H]1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000408368041 160093634 /nfs/dbraw/zinc/09/36/34/160093634.db2.gz AYGOGPCTGUTPLG-ABAIWWIYSA-N 0 0 323.393 0.518 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC(O)(C(F)F)CC1 ZINC000408378577 160095305 /nfs/dbraw/zinc/09/53/05/160095305.db2.gz WBAFUUWKXPDULH-VIFPVBQESA-N 0 0 322.377 0.917 10 0 DCAERN NS(=O)(=O)[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 ZINC000408385426 160096548 /nfs/dbraw/zinc/09/65/48/160096548.db2.gz LXVDSDLETGANIB-JTQLQIEISA-N 0 0 322.394 0.419 10 0 DCAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408385021 160096679 /nfs/dbraw/zinc/09/66/79/160096679.db2.gz KSBBDDOBQCUWKR-WOPDTQHZSA-N 0 0 304.412 0.342 10 0 DCAERN C[C@@H]1CC[S@](=O)CCN1CC(=O)N(C)c1nccs1 ZINC000408391142 160098080 /nfs/dbraw/zinc/09/80/80/160098080.db2.gz BIPDPCKVZVKMHH-DGIBIBHMSA-N 0 0 301.437 0.949 10 0 DCAERN CC(C)[C@@H]1CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000408391310 160098267 /nfs/dbraw/zinc/09/82/67/160098267.db2.gz CEJMOYJQFAWCJU-CHWSQXEVSA-N 0 0 302.440 0.610 10 0 DCAERN C[C@H]1CC[S@](=O)CCN1CC(=O)N(C)c1nccs1 ZINC000408391144 160098504 /nfs/dbraw/zinc/09/85/04/160098504.db2.gz BIPDPCKVZVKMHH-OVWNDWIMSA-N 0 0 301.437 0.949 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCC2([S@@](C)=O)CCC2)C[C@H](C)O1 ZINC000408407543 160102125 /nfs/dbraw/zinc/10/21/25/160102125.db2.gz QUTVGMLTBSUJKP-RMDKCXRXSA-N 0 0 324.468 0.231 10 0 DCAERN C[C@@H](c1ncc(Br)cn1)N1CCO[C@@H](CO)C1 ZINC000408414005 160103694 /nfs/dbraw/zinc/10/36/94/160103694.db2.gz XEUYPCQKQLCMSP-WCBMZHEXSA-N 0 0 302.172 0.993 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3CC[C@@H](C)[C@H]3CO)nc2n1 ZINC000408424143 160104915 /nfs/dbraw/zinc/10/49/15/160104915.db2.gz BTYJNOQDFRGTAT-BXKDBHETSA-N 0 0 303.366 0.513 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)N(C)CC2CC2)CCN1C[C@@H](C)O ZINC000408429017 160106003 /nfs/dbraw/zinc/10/60/03/160106003.db2.gz HVKIAUIYOQUDDI-OCCSQVGLSA-N 0 0 319.471 0.350 10 0 DCAERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000408435683 160107630 /nfs/dbraw/zinc/10/76/30/160107630.db2.gz ZDCDDRIBSBUKSC-SCDSUCTJSA-N 0 0 323.418 0.992 10 0 DCAERN CC[C@H](C)[C@](C)(O)CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000408435464 160107826 /nfs/dbraw/zinc/10/78/26/160107826.db2.gz XLSCHWVLVABXJG-ZDEQEGDKSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N(C)CCN2CCOC(C)(C)C2)CC(=O)N1 ZINC000408449487 160109807 /nfs/dbraw/zinc/10/98/07/160109807.db2.gz GNHQFNVKJASEEK-CHWSQXEVSA-N 0 0 311.426 0.470 10 0 DCAERN CCc1cnccc1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000408448820 160110338 /nfs/dbraw/zinc/11/03/38/160110338.db2.gz BDQGCPNPDUVZOP-OAHLLOKOSA-N 0 0 302.334 0.458 10 0 DCAERN CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000408455193 160111529 /nfs/dbraw/zinc/11/15/29/160111529.db2.gz CQIBGCKCIBUEIX-GFCCVEGCSA-N 0 0 317.455 0.859 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC000408455688 160111552 /nfs/dbraw/zinc/11/15/52/160111552.db2.gz DVCDKLIAAPPVEW-INIZCTEOSA-N 0 0 321.377 0.691 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000408461664 160113575 /nfs/dbraw/zinc/11/35/75/160113575.db2.gz WGLOTIYPKRWMGW-QJPTWQEYSA-N 0 0 305.396 0.911 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1 ZINC000408470293 160115447 /nfs/dbraw/zinc/11/54/47/160115447.db2.gz QNHJJFBYTBIICD-NSHDSACASA-N 0 0 311.411 0.205 10 0 DCAERN CCCNC(=O)CCNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000072563131 286911379 /nfs/dbraw/zinc/91/13/79/286911379.db2.gz UZCHNLMIYLWBAW-UHFFFAOYSA-N 0 0 317.353 0.700 10 0 DCAERN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000073921130 286914769 /nfs/dbraw/zinc/91/47/69/286914769.db2.gz XNMDXFGSCBHDNY-GZMMTYOYSA-N 0 0 311.304 0.739 10 0 DCAERN Cn1cc(NC(=O)CSCC(F)(F)F)c(=O)n(C)c1=O ZINC000090601398 286935255 /nfs/dbraw/zinc/93/52/55/286935255.db2.gz CIYDFZNGNXEUHB-UHFFFAOYSA-N 0 0 311.285 0.318 10 0 DCAERN Cc1cccc(CNC(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000111834084 286942670 /nfs/dbraw/zinc/94/26/70/286942670.db2.gz FDJCQRSMFLEEKW-UHFFFAOYSA-N 0 0 306.366 0.390 10 0 DCAERN CC[C@@H](O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000121203956 286942868 /nfs/dbraw/zinc/94/28/68/286942868.db2.gz BSTQZDSUJPARAO-CQSZACIVSA-N 0 0 306.472 0.588 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000120145037 286951016 /nfs/dbraw/zinc/95/10/16/286951016.db2.gz FDERAJDHKNBCNX-LBPRGKRZSA-N 0 0 305.444 0.810 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000128071873 286981218 /nfs/dbraw/zinc/98/12/18/286981218.db2.gz JBKMTBYIAIDNIQ-SNVBAGLBSA-N 0 0 314.345 0.664 10 0 DCAERN C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(=O)[nH]n1 ZINC000132172062 287003883 /nfs/dbraw/zinc/00/38/83/287003883.db2.gz LKRJRKKIWXACCW-CYBMUJFWSA-N 0 0 300.362 0.673 10 0 DCAERN CN(Cc1ccccc1)C(=O)CNc1cncc(OCCO)n1 ZINC000131648729 287001377 /nfs/dbraw/zinc/00/13/77/287001377.db2.gz NSVRFLKRKLZADK-UHFFFAOYSA-N 0 0 316.361 0.918 10 0 DCAERN COCCCS(=O)(=O)NCC(=O)NCCC1=CCCC1 ZINC000131608356 287001401 /nfs/dbraw/zinc/00/14/01/287001401.db2.gz UWYOFFSYBGXHFR-UHFFFAOYSA-N 0 0 304.412 0.559 10 0 DCAERN Cc1nnc([C@@H](C)N2CC[C@H](S(=O)(=O)NC(C)C)C2)o1 ZINC000134317715 287015829 /nfs/dbraw/zinc/01/58/29/287015829.db2.gz JNIXXXUUIDSNEK-KOLCDFICSA-N 0 0 302.400 0.841 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000134872545 287018886 /nfs/dbraw/zinc/01/88/86/287018886.db2.gz HKCSANRAAWMIGU-NSHDSACASA-N 0 0 323.299 0.711 10 0 DCAERN COCC(=O)N(C)CC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000135890270 287024704 /nfs/dbraw/zinc/02/47/04/287024704.db2.gz QCZMFASNQOEOOK-JTQLQIEISA-N 0 0 310.398 0.189 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000135350015 287021589 /nfs/dbraw/zinc/02/15/89/287021589.db2.gz CMXIZLAEBXOQEC-FIYWTHMPSA-N 0 0 308.378 0.391 10 0 DCAERN COC(=O)NC(C)(C)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000135365875 287021935 /nfs/dbraw/zinc/02/19/35/287021935.db2.gz OJTYXPUAHLFPDU-SECBINFHSA-N 0 0 309.370 0.926 10 0 DCAERN CCCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000135506424 287022867 /nfs/dbraw/zinc/02/28/67/287022867.db2.gz FXWXQFXUTLHCIU-WCQYABFASA-N 0 0 318.439 0.732 10 0 DCAERN Cc1cc(NCCC(=O)NC(N)=O)nc(-c2ccncc2)n1 ZINC000136375214 287026466 /nfs/dbraw/zinc/02/64/66/287026466.db2.gz LNHUOUAMUHWSLS-UHFFFAOYSA-N 0 0 300.322 0.844 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccn(-c2ccccc2F)n1 ZINC000152137873 287039092 /nfs/dbraw/zinc/03/90/92/287039092.db2.gz SRDHQVVDWHWFQU-JTQLQIEISA-N 0 0 316.292 0.546 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCCc1cn2ccccc2n1 ZINC000152675229 287043554 /nfs/dbraw/zinc/04/35/54/287043554.db2.gz VHLQYLUYSCZUBD-UHFFFAOYSA-N 0 0 311.345 0.744 10 0 DCAERN CC1(C)CN(S(=O)(=O)c2ccccc2)CCS1(=O)=O ZINC000152943637 287045120 /nfs/dbraw/zinc/04/51/20/287045120.db2.gz VONDEMWQEGDORS-UHFFFAOYSA-N 0 0 303.405 0.884 10 0 DCAERN CC[C@H]1CN([C@@H](C)C(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153469312 287050113 /nfs/dbraw/zinc/05/01/13/287050113.db2.gz KPLSNVBTRJNPHM-QWRGUYRKSA-N 0 0 321.368 0.325 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)C(C)C)C1 ZINC000227984808 287063306 /nfs/dbraw/zinc/06/33/06/287063306.db2.gz XAPAJLPGXXCYRV-VXGBXAGGSA-N 0 0 322.427 0.113 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccoc1Br ZINC000236199343 287065125 /nfs/dbraw/zinc/06/51/25/287065125.db2.gz NUPIQEYTYMVALP-VDTYLAMSSA-N 0 0 303.112 0.103 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)CCc2nccs2)[C@@H](C)CO1 ZINC000245540636 287070529 /nfs/dbraw/zinc/07/05/29/287070529.db2.gz KJFAGPHVKPHATB-WDEREUQCSA-N 0 0 319.452 0.971 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H]2CCOC(C)(C)C2)[C@@H](C)CO1 ZINC000245559366 287070710 /nfs/dbraw/zinc/07/07/10/287070710.db2.gz UBWDEFNJJWELCX-TUAOUCFPSA-N 0 0 306.428 0.888 10 0 DCAERN C[C@@H]1CC(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)C[C@@H](C)O1 ZINC000245702967 287072344 /nfs/dbraw/zinc/07/23/44/287072344.db2.gz RRPPFDRITQAUHA-MXWKQRLJSA-N 0 0 304.412 0.771 10 0 DCAERN C[C@H](O)CC(C)(C)CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000245883552 287073784 /nfs/dbraw/zinc/07/37/84/287073784.db2.gz NZDFITQZJQUBLZ-SDDRHHMPSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)C[C@H](C)O1 ZINC000245960366 287074849 /nfs/dbraw/zinc/07/48/49/287074849.db2.gz DGIPBMQBPCUYHW-ZUWCUPBKSA-N 0 0 312.410 0.942 10 0 DCAERN CC[C@H](C)[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000246090190 287076678 /nfs/dbraw/zinc/07/66/78/287076678.db2.gz GPYJVVKYTYOLIU-RWMBFGLXSA-N 0 0 307.460 0.660 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@]2(C)CCCC[C@@H]2O)[C@@H](C)CO1 ZINC000246211766 287079377 /nfs/dbraw/zinc/07/93/77/287079377.db2.gz RXXLLTXIAVCRPL-CRWXNKLISA-N 0 0 320.455 0.871 10 0 DCAERN C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000246563722 287085368 /nfs/dbraw/zinc/08/53/68/287085368.db2.gz FDHIIQSWCHGDSX-XQHKEYJVSA-N 0 0 306.428 0.576 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000247361231 287092910 /nfs/dbraw/zinc/09/29/10/287092910.db2.gz MKDRIDHTFNOIKE-RNJOBUHISA-N 0 0 302.440 0.893 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000247347683 287092963 /nfs/dbraw/zinc/09/29/63/287092963.db2.gz KZVQFFSYDOPLFS-IHRRRGAJSA-N 0 0 313.442 0.898 10 0 DCAERN COCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000247388477 287093234 /nfs/dbraw/zinc/09/32/34/287093234.db2.gz WUHYLIVYGHDCFV-CABCVRRESA-N 0 0 324.425 0.434 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000247444923 287094020 /nfs/dbraw/zinc/09/40/20/287094020.db2.gz YGRXPFDCWFJLMP-GRYCIOLGSA-N 0 0 320.397 0.245 10 0 DCAERN C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247255232 287092505 /nfs/dbraw/zinc/09/25/05/287092505.db2.gz YBLHDJAZGAAMFX-CHWSQXEVSA-N 0 0 317.455 0.257 10 0 DCAERN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[C@](C)(O)C1 ZINC000248331789 287096270 /nfs/dbraw/zinc/09/62/70/287096270.db2.gz FBJAETULQWYUCT-BZNIZROVSA-N 0 0 303.362 0.817 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000248840888 287102413 /nfs/dbraw/zinc/10/24/13/287102413.db2.gz GAQXJBZGHHYUSY-KFWWJZLASA-N 0 0 324.421 0.899 10 0 DCAERN C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000248896052 287103010 /nfs/dbraw/zinc/10/30/10/287103010.db2.gz XOYXJJDAZUXCFV-BBBLOLIVSA-N 0 0 308.300 0.938 10 0 DCAERN Cc1nn(C)c2ncc(S(=O)(=O)N3CC[C@@H](C)[C@H]3CO)cc12 ZINC000248958821 287104206 /nfs/dbraw/zinc/10/42/06/287104206.db2.gz QOYJHMGBHHKQQN-NOZJJQNGSA-N 0 0 324.406 0.668 10 0 DCAERN CO[C@@H]1CN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H]1C ZINC000252005536 287120425 /nfs/dbraw/zinc/12/04/25/287120425.db2.gz WZYYDNYCWFODMV-QNWHQSFQSA-N 0 0 318.439 0.035 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000249071205 287179629 /nfs/dbraw/zinc/17/96/29/287179629.db2.gz RABNYYUVQZXVOV-OCCSQVGLSA-N 0 0 317.389 0.837 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC(=O)N1C ZINC000367115045 296879553 /nfs/dbraw/zinc/87/95/53/296879553.db2.gz VPAJRRFJWNYPKE-ISTVAULSSA-N 0 0 311.407 0.130 10 0 DCAERN Cc1cc(C)n(CC(=O)NCCCCCS(C)(=O)=O)n1 ZINC000357270519 287205093 /nfs/dbraw/zinc/20/50/93/287205093.db2.gz HDYFXOWWBUFVQN-UHFFFAOYSA-N 0 0 301.412 0.831 10 0 DCAERN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](CO)C1CC1 ZINC000358307614 287206289 /nfs/dbraw/zinc/20/62/89/287206289.db2.gz ILPAXTINYSLMOP-CYBMUJFWSA-N 0 0 317.393 0.808 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000408061074 287233121 /nfs/dbraw/zinc/23/31/21/287233121.db2.gz VOWLKGSBIMNEKA-INIZCTEOSA-N 0 0 312.410 0.776 10 0 DCAERN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1C[C@@H](F)C[C@H]1CO ZINC000408060214 287233235 /nfs/dbraw/zinc/23/32/35/287233235.db2.gz CNLPNQXIODTEPL-BJDJZHNGSA-N 0 0 312.341 0.093 10 0 DCAERN Cn1ncc2c1nc(N1CC[C@](O)(C(F)(F)F)C1)[nH]c2=O ZINC000408258639 287233464 /nfs/dbraw/zinc/23/34/64/287233464.db2.gz ZFBRVLZAMVIPJV-SNVBAGLBSA-N 0 0 303.244 0.572 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCOc2c1c(C)nn2C ZINC000268103625 415159446 /nfs/dbraw/zinc/15/94/46/415159446.db2.gz GJUDBQRWRYDSCG-JTQLQIEISA-N 0 0 324.406 0.765 10 0 DCAERN Cn1nccc1CNC(=O)NCc1nnc2n1CCCCC2 ZINC000045867231 415249905 /nfs/dbraw/zinc/24/99/05/415249905.db2.gz NJCSJPLGWKTULM-UHFFFAOYSA-N 0 0 303.370 0.737 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)NCc1cccnc1N(C)C ZINC000046287019 415259970 /nfs/dbraw/zinc/25/99/70/415259970.db2.gz RIMUBWQSIJOEPT-AWEZNQCLSA-N 0 0 324.425 0.980 10 0 DCAERN Cc1cc(C)n(CCCNC(=O)NC[C@@H](C)N2CCOCC2)n1 ZINC000047722826 415280816 /nfs/dbraw/zinc/28/08/16/415280816.db2.gz RTERPGQUTVHOBO-OAHLLOKOSA-N 0 0 323.441 0.910 10 0 DCAERN Cc1cccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1F ZINC000268470947 415221622 /nfs/dbraw/zinc/22/16/22/415221622.db2.gz HHKMXTUAUCBBNR-JTQLQIEISA-N 0 0 300.355 0.898 10 0 DCAERN CCOCCOCC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000056983300 415336155 /nfs/dbraw/zinc/33/61/55/415336155.db2.gz YMVWUAFWEWWZHZ-CQSZACIVSA-N 0 0 312.410 0.804 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Br ZINC000352927468 415374627 /nfs/dbraw/zinc/37/46/27/415374627.db2.gz XSCOMHULXGMGRZ-HTRCEHHLSA-N 0 0 315.171 0.580 10 0 DCAERN Cc1ccc(F)c(CN2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000275545952 415377232 /nfs/dbraw/zinc/37/72/32/415377232.db2.gz FTUPQCRBISWPJS-CQSZACIVSA-N 0 0 309.385 0.752 10 0 DCAERN COc1ccc([C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O)cc1F ZINC000067839218 415387931 /nfs/dbraw/zinc/38/79/31/415387931.db2.gz JPJSLCXQNIZTSH-DTWKUNHWSA-N 0 0 318.370 0.949 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCc3ncnn3C2)no1 ZINC000332813926 415485806 /nfs/dbraw/zinc/48/58/06/415485806.db2.gz RRPWOPZHEBDZMB-GHMZBOCLSA-N 0 0 317.353 0.831 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)[C@@H]1CCOC1 ZINC000332867179 415499528 /nfs/dbraw/zinc/49/95/28/415499528.db2.gz UCTBOZYCNZWMAD-KBUPBQIOSA-N 0 0 311.426 0.916 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(NC(C)=O)C2)cn1 ZINC000276112197 415433572 /nfs/dbraw/zinc/43/35/72/415433572.db2.gz ACBUIUURJFAPHI-UONOGXRCSA-N 0 0 306.366 0.328 10 0 DCAERN CC(=O)c1c(C)oc2ncnc(NC[C@H](C)S(N)(=O)=O)c21 ZINC000353149565 415454522 /nfs/dbraw/zinc/45/45/22/415454522.db2.gz QYAHQWVVPAJPPO-LURJTMIESA-N 0 0 312.351 0.823 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC000089753577 415523719 /nfs/dbraw/zinc/52/37/19/415523719.db2.gz ASSFXJPJHJVQNN-ZCFIWIBFSA-N 0 0 314.754 0.387 10 0 DCAERN C[C@@H]1CN(C)CCN1CC1=NS(=O)(=O)c2ccccc2N1 ZINC000089939210 415526943 /nfs/dbraw/zinc/52/69/43/415526943.db2.gz JSGPNMNLMCGHOC-LLVKDONJSA-N 0 0 308.407 0.835 10 0 DCAERN Cc1cccc(CNC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 ZINC000091620478 415534331 /nfs/dbraw/zinc/53/43/31/415534331.db2.gz BUUASSPPPBYPQX-UONOGXRCSA-N 0 0 320.393 0.825 10 0 DCAERN CN(CC1CC(O)C1)S(=O)(=O)N1CCc2ccccc2C1 ZINC000091491014 415534905 /nfs/dbraw/zinc/53/49/05/415534905.db2.gz KDMPTQODEVBRQX-UHFFFAOYSA-N 0 0 310.419 0.992 10 0 DCAERN Cc1[nH]nc2ncc(C(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc12 ZINC000284761301 415601831 /nfs/dbraw/zinc/60/18/31/415601831.db2.gz SCBGWLRAOOQJFH-KBPBESRZSA-N 0 0 315.377 0.811 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000285020836 415605910 /nfs/dbraw/zinc/60/59/10/415605910.db2.gz OHYBLXDZFIDYJH-LSDHHAIUSA-N 0 0 317.389 0.865 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2O)C1 ZINC000343489462 415616418 /nfs/dbraw/zinc/61/64/18/415616418.db2.gz ZTUFMWVMQJTIOR-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000103427794 415617515 /nfs/dbraw/zinc/61/75/15/415617515.db2.gz QKAQADFYFDOADG-VHSXEESVSA-N 0 0 300.380 0.794 10 0 DCAERN O=C(NCCCN1CCCCCC1=O)N1CCNC(=O)CC1 ZINC000105084976 415629308 /nfs/dbraw/zinc/62/93/08/415629308.db2.gz OYOIZSKVOMQBPE-UHFFFAOYSA-N 0 0 310.398 0.311 10 0 DCAERN COc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC000105569931 415629541 /nfs/dbraw/zinc/62/95/41/415629541.db2.gz LJDQDQQUIXLMCA-LBPRGKRZSA-N 0 0 306.362 0.948 10 0 DCAERN COc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1O ZINC000105569935 415633010 /nfs/dbraw/zinc/63/30/10/415633010.db2.gz OUGZATYPZPQOPS-LBPRGKRZSA-N 0 0 306.362 0.948 10 0 DCAERN CCn1cncc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000333395873 415635719 /nfs/dbraw/zinc/63/57/19/415635719.db2.gz DRWNIKKUFLIEQJ-MXWKQRLJSA-N 0 0 312.395 0.191 10 0 DCAERN C[C@H](Nc1cccc(C(N)=O)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000097057598 415582643 /nfs/dbraw/zinc/58/26/43/415582643.db2.gz REFDRTKQGZXNCW-JTQLQIEISA-N 0 0 318.377 0.323 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000333489504 415663814 /nfs/dbraw/zinc/66/38/14/415663814.db2.gz UHKDLAAFVRSSEQ-GBJTYRQASA-N 0 0 322.405 0.718 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1cccn1C ZINC000353820194 415668369 /nfs/dbraw/zinc/66/83/69/415668369.db2.gz ADWKBISGNOXHLQ-BPLDGKMQSA-N 0 0 305.378 0.670 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000333559347 415685136 /nfs/dbraw/zinc/68/51/36/415685136.db2.gz KSVYXCFEVGQMAN-NEPJUHHUSA-N 0 0 323.422 0.753 10 0 DCAERN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(=O)C2CC2)C1 ZINC000333571369 415688959 /nfs/dbraw/zinc/68/89/59/415688959.db2.gz RZWMOEHYGOGELE-JTQLQIEISA-N 0 0 310.398 0.511 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCn2cccn2)C1 ZINC000114970599 415723877 /nfs/dbraw/zinc/72/38/77/415723877.db2.gz WHDIGCBSLHFRRI-ZDUSSCGKSA-N 0 0 307.398 0.973 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(CO)CC1)CC2 ZINC000114976532 415725582 /nfs/dbraw/zinc/72/55/82/415725582.db2.gz UHEHWZGMVSRGKJ-GFCCVEGCSA-N 0 0 307.398 0.569 10 0 DCAERN COC[C@H]1CN(S(=O)(=O)c2c(C)onc2N)CC(C)(C)O1 ZINC000289868871 415728825 /nfs/dbraw/zinc/72/88/25/415728825.db2.gz NPODHZHGZIZSDX-SECBINFHSA-N 0 0 319.383 0.380 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)CCO2)c1 ZINC000112060449 415702222 /nfs/dbraw/zinc/70/22/22/415702222.db2.gz FDDTZKSGIYSDFH-ZDUSSCGKSA-N 0 0 302.334 0.833 10 0 DCAERN COCCCS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112094132 415704430 /nfs/dbraw/zinc/70/44/30/415704430.db2.gz YZMPVQPASBQPTJ-ZDUSSCGKSA-N 0 0 317.411 0.259 10 0 DCAERN CCC(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000333803770 415744034 /nfs/dbraw/zinc/74/40/34/415744034.db2.gz YREZCBYDVMIDDW-STQMWFEESA-N 0 0 324.425 0.903 10 0 DCAERN Cn1ncc2c1ncc(C(=O)N1CCOC[C@H]1C1CC1)c2O ZINC000119449175 415745773 /nfs/dbraw/zinc/74/57/73/415745773.db2.gz UHNZBEGXJQICOH-LBPRGKRZSA-N 0 0 302.334 0.925 10 0 DCAERN COCC(=O)N(C)CC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000120436940 415765557 /nfs/dbraw/zinc/76/55/57/415765557.db2.gz SBWORVPXFDAMOD-UHFFFAOYSA-N 0 0 303.322 0.515 10 0 DCAERN CCCCn1c(N)c(N(C)C[C@@H](O)C(F)(F)F)c(=O)[nH]c1=O ZINC000120667907 415777148 /nfs/dbraw/zinc/77/71/48/415777148.db2.gz HAIYMJGOWKVVOO-SSDOTTSWSA-N 0 0 324.303 0.278 10 0 DCAERN CC[C@H](CO)N1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000123234805 415839346 /nfs/dbraw/zinc/83/93/46/415839346.db2.gz HAEOZTDRBBKJBZ-KGLIPLIRSA-N 0 0 320.455 0.274 10 0 DCAERN COc1c(F)cc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1F ZINC000120956773 415790311 /nfs/dbraw/zinc/79/03/11/415790311.db2.gz PHVSKPWQIJLGKB-VIFPVBQESA-N 0 0 314.288 0.895 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000121393305 415803316 /nfs/dbraw/zinc/80/33/16/415803316.db2.gz XIMZNZURQFZNKI-UHFFFAOYSA-N 0 0 317.320 0.875 10 0 DCAERN CC1(C)[C@H](NC(=O)CNC(=O)c2cccnc2)[C@H]2CCO[C@@H]21 ZINC000122137958 415827642 /nfs/dbraw/zinc/82/76/42/415827642.db2.gz BBATXMKCRPSJKC-BNOWGMLFSA-N 0 0 303.362 0.741 10 0 DCAERN NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cn1 ZINC000126603810 415876335 /nfs/dbraw/zinc/87/63/35/415876335.db2.gz RTXTZBZKWZYHAV-LBPRGKRZSA-N 0 0 302.334 0.520 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)C1 ZINC000126823949 415880191 /nfs/dbraw/zinc/88/01/91/415880191.db2.gz JOUUINKVNUORER-XQQFMLRXSA-N 0 0 317.455 0.688 10 0 DCAERN CN1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)(C)C1=O ZINC000129827970 415912319 /nfs/dbraw/zinc/91/23/19/415912319.db2.gz FHWYSZGJCPVURA-LBPRGKRZSA-N 0 0 317.455 0.211 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000130594598 415919887 /nfs/dbraw/zinc/91/98/87/415919887.db2.gz ZQRKMPTXWIMGNL-NSHDSACASA-N 0 0 311.304 0.467 10 0 DCAERN CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000124802513 415853536 /nfs/dbraw/zinc/85/35/36/415853536.db2.gz JLZHFOTVFBDVAV-YUTCNCBUSA-N 0 0 309.387 0.933 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)c2cnn(C)c2)CCN1CC(F)F ZINC000125199828 415862024 /nfs/dbraw/zinc/86/20/24/415862024.db2.gz BJWZBLGEMGWNBI-LLVKDONJSA-N 0 0 314.336 0.791 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](C)(O)C1 ZINC000152895935 415973623 /nfs/dbraw/zinc/97/36/23/415973623.db2.gz LVRYTLLSDVHJQA-GXTWGEPZSA-N 0 0 318.439 0.564 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCNC(=O)[C@H]1C ZINC000153114917 415974947 /nfs/dbraw/zinc/97/49/47/415974947.db2.gz PHTZYBBBZUWICQ-ZJUUUORDSA-N 0 0 306.370 0.205 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N[C@H]2CCOC2)c1 ZINC000337548962 415975289 /nfs/dbraw/zinc/97/52/89/415975289.db2.gz OIWZFAFPLMLTGQ-LBPRGKRZSA-N 0 0 305.334 0.513 10 0 DCAERN COc1ccc(S(N)(=O)=O)cc1C(=O)NCC[C@@H](C)F ZINC000356712188 415976342 /nfs/dbraw/zinc/97/63/42/415976342.db2.gz PZMTXBDIRBRXHZ-MRVPVSSYSA-N 0 0 304.343 0.821 10 0 DCAERN CN(C)c1ncc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000155086636 415993676 /nfs/dbraw/zinc/99/36/76/415993676.db2.gz OINKCVLQZDDVQL-CYBMUJFWSA-N 0 0 320.397 0.481 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCCSCC2)C1 ZINC000132809852 415935104 /nfs/dbraw/zinc/93/51/04/415935104.db2.gz JWTGPUMCVRXXFW-NSHDSACASA-N 0 0 300.428 0.939 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000132828548 415935383 /nfs/dbraw/zinc/93/53/83/415935383.db2.gz BXTFDUABDKRMNH-FZMZJTMJSA-N 0 0 300.424 0.762 10 0 DCAERN CCc1nc(CNC(=O)CS(=O)(=O)N(CC)CC)cs1 ZINC000172794461 416047991 /nfs/dbraw/zinc/04/79/91/416047991.db2.gz SQFMBPQOTZDDHY-UHFFFAOYSA-N 0 0 319.452 0.993 10 0 DCAERN O=C(NCCCN1CCOCC1)N1CCC[C@H](n2cncn2)C1 ZINC000173274473 416055021 /nfs/dbraw/zinc/05/50/21/416055021.db2.gz BOOBKIFMZHBSFV-AWEZNQCLSA-N 0 0 322.413 0.347 10 0 DCAERN CNc1cc(N2CCC[C@H]2CNC(=O)NCCCO)ncn1 ZINC000173422213 416058566 /nfs/dbraw/zinc/05/85/66/416058566.db2.gz RZLSTYOJZNFQQI-NSHDSACASA-N 0 0 308.386 0.169 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000173471048 416058821 /nfs/dbraw/zinc/05/88/21/416058821.db2.gz VTGYPXPEMOAXKE-ZJUUUORDSA-N 0 0 303.428 0.922 10 0 DCAERN CCOC(=O)CN(C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC000338233333 416062512 /nfs/dbraw/zinc/06/25/12/416062512.db2.gz ADMYKYLWKYUUHZ-LLVKDONJSA-N 0 0 304.412 0.295 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)CCC(C)C)CCO2)[nH]1 ZINC000173734053 416063412 /nfs/dbraw/zinc/06/34/12/416063412.db2.gz OGMDFPDIQXMKSP-NSHDSACASA-N 0 0 302.400 0.862 10 0 DCAERN CCCNC(=O)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173789900 416065702 /nfs/dbraw/zinc/06/57/02/416065702.db2.gz TXSORZHLXIWBHR-CYBMUJFWSA-N 0 0 312.414 0.019 10 0 DCAERN CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173845167 416066505 /nfs/dbraw/zinc/06/65/05/416066505.db2.gz COHPROUTMNNVOB-KGLIPLIRSA-N 0 0 311.426 0.472 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC(C)C2)cc1 ZINC000357363530 416067956 /nfs/dbraw/zinc/06/79/56/416067956.db2.gz KDRYSPSJCONOIE-UHFFFAOYSA-N 0 0 310.375 0.646 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@@H](O)Cc1ccccc1Cl ZINC000357372322 416069768 /nfs/dbraw/zinc/06/97/68/416069768.db2.gz XSDMHDOHJMBVDS-NSHDSACASA-N 0 0 309.757 0.426 10 0 DCAERN O[C@@H](COc1ccccc1F)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954432 416070161 /nfs/dbraw/zinc/07/01/61/416070161.db2.gz RVSLWFUXUCWMGL-LSDHHAIUSA-N 0 0 324.396 0.972 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000173935454 416070529 /nfs/dbraw/zinc/07/05/29/416070529.db2.gz RCAINQAFBWNGTM-OAGGEKHMSA-N 0 0 309.454 0.897 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCN(Cc2ccon2)CC1 ZINC000173932124 416070546 /nfs/dbraw/zinc/07/05/46/416070546.db2.gz IOYHWPPRHQSKMI-UHFFFAOYSA-N 0 0 309.370 0.028 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173985587 416070613 /nfs/dbraw/zinc/07/06/13/416070613.db2.gz HGZMKBQBJFPPTM-NSHDSACASA-N 0 0 309.332 0.414 10 0 DCAERN COc1ccc(OC)c(CN2CC[C@@H](S(N)(=O)=O)C2)c1 ZINC000357385967 416070999 /nfs/dbraw/zinc/07/09/99/416070999.db2.gz BIXLGQVIGDMWSH-GFCCVEGCSA-N 0 0 300.380 0.567 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000174344011 416077773 /nfs/dbraw/zinc/07/77/73/416077773.db2.gz RORGGMQGRTVNGQ-CYBMUJFWSA-N 0 0 317.455 0.355 10 0 DCAERN CCN(CC)S(=O)(=O)CCNc1cc(Cl)nc(N)n1 ZINC000301182789 416077859 /nfs/dbraw/zinc/07/78/59/416077859.db2.gz INRYHTLOKQFIGB-UHFFFAOYSA-N 0 0 307.807 0.796 10 0 DCAERN COc1cccc(F)c1[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC000174413832 416078314 /nfs/dbraw/zinc/07/83/14/416078314.db2.gz MTFRYHHETJVMFC-SECBINFHSA-N 0 0 318.370 0.951 10 0 DCAERN Cc1ccc([C@@H]2CN(CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158873960 416005663 /nfs/dbraw/zinc/00/56/63/416005663.db2.gz RIOAJXLLDPPQOW-ZDUSSCGKSA-N 0 0 307.350 0.903 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000159104256 416007362 /nfs/dbraw/zinc/00/73/62/416007362.db2.gz MRYOIYKWVLHNGF-YGRLFVJLSA-N 0 0 321.425 0.888 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCNC(=O)[C@H]1C)CC2 ZINC000161597686 416013285 /nfs/dbraw/zinc/01/32/85/416013285.db2.gz CZWZVYSGQBPTTG-MNOVXSKESA-N 0 0 320.397 0.246 10 0 DCAERN C[C@@H](CNC(=O)CCc1nc(N(C)C)no1)N1CCCCC1=O ZINC000356993224 416016957 /nfs/dbraw/zinc/01/69/57/416016957.db2.gz ZHNOPESBVDMFKK-NSHDSACASA-N 0 0 323.397 0.585 10 0 DCAERN NC(=O)c1cnc(N2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC000170641006 416027831 /nfs/dbraw/zinc/02/78/31/416027831.db2.gz JVXGTNQXKMWOBK-UHFFFAOYSA-N 0 0 318.768 0.951 10 0 DCAERN COCCS(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000170664798 416028194 /nfs/dbraw/zinc/02/81/94/416028194.db2.gz LTZAOGXQFNLORF-LLVKDONJSA-N 0 0 300.384 0.011 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000170754659 416031034 /nfs/dbraw/zinc/03/10/34/416031034.db2.gz BSMCDUYCICSARE-GHMZBOCLSA-N 0 0 301.306 0.718 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nonc1C ZINC000170800273 416031514 /nfs/dbraw/zinc/03/15/14/416031514.db2.gz SSNFPEKYUIBOAC-SECBINFHSA-N 0 0 302.356 0.521 10 0 DCAERN CC1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000357174624 416041049 /nfs/dbraw/zinc/04/10/49/416041049.db2.gz VWYXISAJAIYUIL-UHFFFAOYSA-N 0 0 322.386 0.954 10 0 DCAERN CN1C(=O)C[C@H](C(=O)NCCc2ncc[nH]2)[C@@H]1c1cccnc1 ZINC000174755213 416086450 /nfs/dbraw/zinc/08/64/50/416086450.db2.gz MGOFCURQVXGZGN-WFASDCNBSA-N 0 0 313.361 0.683 10 0 DCAERN COC[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174999483 416094733 /nfs/dbraw/zinc/09/47/33/416094733.db2.gz GUWLADLXGMPMMK-ZYHUDNBSSA-N 0 0 308.382 0.623 10 0 DCAERN COc1cccc(CS(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000175294625 416102371 /nfs/dbraw/zinc/10/23/71/416102371.db2.gz SUAUKTOSQQPRHN-LBPRGKRZSA-N 0 0 324.402 0.878 10 0 DCAERN CO[C@H]1C[C@H](CO)N(C(=O)c2cc(Cn3cc(C)cn3)on2)C1 ZINC000345517059 416108257 /nfs/dbraw/zinc/10/82/57/416108257.db2.gz HDBNEADYIZCDKT-NEPJUHHUSA-N 0 0 320.349 0.450 10 0 DCAERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@](O)(CO)C2)s1 ZINC000313652344 416108963 /nfs/dbraw/zinc/10/89/63/416108963.db2.gz SLFPFQKQWLNSOR-LBPRGKRZSA-N 0 0 305.421 0.873 10 0 DCAERN CC[C@@H](NC(=O)C1CCN(Cc2nccn2C)CC1)C(=O)OC ZINC000175754150 416112126 /nfs/dbraw/zinc/11/21/26/416112126.db2.gz JAMYRQNKIYWYQR-CYBMUJFWSA-N 0 0 322.409 0.700 10 0 DCAERN NC(=O)c1c[nH]c(C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000175912699 416116884 /nfs/dbraw/zinc/11/68/84/416116884.db2.gz NPMMVSNDNBNOEW-UHFFFAOYSA-N 0 0 310.317 0.624 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000176039154 416118805 /nfs/dbraw/zinc/11/88/05/416118805.db2.gz MCVSLLJCYIEJBF-NWDGAFQWSA-N 0 0 304.412 0.438 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc2c(c1)OCCO2 ZINC000176163665 416119918 /nfs/dbraw/zinc/11/99/18/416119918.db2.gz TZUZFTURISWQNG-UHFFFAOYSA-N 0 0 315.329 0.825 10 0 DCAERN Cc1cc(C(=O)NC(C)(CO)CO)nn1-c1nc(C)cc(C)n1 ZINC000357713760 416119975 /nfs/dbraw/zinc/11/99/75/416119975.db2.gz ZKFAJTSHNLMKIE-UHFFFAOYSA-N 0 0 319.365 0.061 10 0 DCAERN COc1ncccc1C(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O ZINC000328603336 416122995 /nfs/dbraw/zinc/12/29/95/416122995.db2.gz FRZPGEQYJFIXPW-UWVGGRQHSA-N 0 0 310.329 0.768 10 0 DCAERN Cc1nnc(NC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)s1 ZINC000328619752 416123683 /nfs/dbraw/zinc/12/36/83/416123683.db2.gz GEDWJMNIECHEIW-VIFPVBQESA-N 0 0 307.383 1.090 10 0 DCAERN CC[C@@H](C)CN1C(=O)N[C@@H](Cc2cn(CCOC)nn2)C1=O ZINC000328610825 416123689 /nfs/dbraw/zinc/12/36/89/416123689.db2.gz JFMDVGLMUJSIAJ-PWSUYJOCSA-N 0 0 309.370 0.638 10 0 DCAERN Cc1ccn2ncc(C(=O)NC[C@@H](O)COCC(C)C)c2n1 ZINC000176366651 416123718 /nfs/dbraw/zinc/12/37/18/416123718.db2.gz WYPSYXHSMHFIEY-GFCCVEGCSA-N 0 0 306.366 0.801 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C[C@H]1CO ZINC000328613504 416123860 /nfs/dbraw/zinc/12/38/60/416123860.db2.gz SFIXINLIMGICDC-PWSUYJOCSA-N 0 0 324.402 0.820 10 0 DCAERN CN(CCn1cccn1)c1nccc(N[C@H]2CCCOC2)n1 ZINC000328629078 416125537 /nfs/dbraw/zinc/12/55/37/416125537.db2.gz HXFAACPMJBSSDH-ZDUSSCGKSA-N 0 0 302.382 1.400 10 0 DCAERN C[C@](O)(CNC(=O)c1cc(Cl)c[nH]1)CN1CCOCC1 ZINC000176484514 416128144 /nfs/dbraw/zinc/12/81/44/416128144.db2.gz RTSGJFBENXCVCZ-ZDUSSCGKSA-N 0 0 301.774 0.481 10 0 DCAERN Cn1cc(Cl)cc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000176482588 416128201 /nfs/dbraw/zinc/12/82/01/416128201.db2.gz CXPFBVVLVNPCPU-AWEZNQCLSA-N 0 0 315.801 0.492 10 0 DCAERN COCC[C@](C)(O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000176608458 416128979 /nfs/dbraw/zinc/12/89/79/416128979.db2.gz VQNZHRAXVAQJEA-KRWDZBQOSA-N 0 0 322.405 0.937 10 0 DCAERN CC(C)OCCCCNC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000357760286 416129417 /nfs/dbraw/zinc/12/94/17/416129417.db2.gz VZTUQAQGVODZJW-STQMWFEESA-N 0 0 300.399 0.537 10 0 DCAERN CC(C)COC[C@@H](O)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176587040 416129587 /nfs/dbraw/zinc/12/95/87/416129587.db2.gz CRRJWDZLSAUBPQ-NWDGAFQWSA-N 0 0 311.386 0.446 10 0 DCAERN Cn1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)n1 ZINC000357766560 416129667 /nfs/dbraw/zinc/12/96/67/416129667.db2.gz PCGNFFNVHOIAJY-UHFFFAOYSA-N 0 0 304.354 0.627 10 0 DCAERN Cn1cccc1C(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000357763912 416129735 /nfs/dbraw/zinc/12/97/35/416129735.db2.gz PMOIHOQMIFWPBW-DOMZBBRYSA-N 0 0 320.389 0.892 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N(C)CC[C@@H](C)O)CC2)n1 ZINC000176679031 416132224 /nfs/dbraw/zinc/13/22/24/416132224.db2.gz AFKXHJZKSMWRPC-GFCCVEGCSA-N 0 0 322.409 0.931 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)CC2 ZINC000176675641 416133345 /nfs/dbraw/zinc/13/33/45/416133345.db2.gz BOTHPWKQUOQRQR-JTQLQIEISA-N 0 0 316.365 0.573 10 0 DCAERN CC1CCN(S(=O)(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC000328841198 416133740 /nfs/dbraw/zinc/13/37/40/416133740.db2.gz PIICOFYOHDPVMP-KBPBESRZSA-N 0 0 317.455 0.368 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000357802560 416134348 /nfs/dbraw/zinc/13/43/48/416134348.db2.gz XTCUTWASLRTVEU-QJPTWQEYSA-N 0 0 312.414 0.552 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000176814499 416134940 /nfs/dbraw/zinc/13/49/40/416134940.db2.gz LJRCEECTPSJWQV-VIFPVBQESA-N 0 0 317.411 0.620 10 0 DCAERN CCCOc1nc(C)ccc1C(=O)N(C)Cc1nnnn1C ZINC000357804083 416135262 /nfs/dbraw/zinc/13/52/62/416135262.db2.gz ZARVBXDXLJOGPJ-UHFFFAOYSA-N 0 0 304.354 0.975 10 0 DCAERN Cc1ccc(O)c(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 ZINC000176901569 416136287 /nfs/dbraw/zinc/13/62/87/416136287.db2.gz RDHUOEKNCURBTC-INIZCTEOSA-N 0 0 308.378 0.514 10 0 DCAERN CN(CC(=O)NCCc1cc(F)ccc1F)S(C)(=O)=O ZINC000177111504 416141451 /nfs/dbraw/zinc/14/14/51/416141451.db2.gz PJQPBPWXLFZOQM-UHFFFAOYSA-N 0 0 306.334 0.515 10 0 DCAERN Cc1nc2n(n1)C[C@@H](NC(=O)CCOC1CCOCC1)CC2 ZINC000177219100 416141758 /nfs/dbraw/zinc/14/17/58/416141758.db2.gz OELRWTJWLNYPJK-LBPRGKRZSA-N 0 0 308.382 0.603 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)CCc3nnc[nH]3)C2)n1 ZINC000177216809 416142925 /nfs/dbraw/zinc/14/29/25/416142925.db2.gz QVBLVWJUXZAQMC-CYBMUJFWSA-N 0 0 317.397 0.884 10 0 DCAERN CNC(=O)Cc1nc(CN2CCC[C@H](C(=O)OC)C2)cs1 ZINC000177594190 416147461 /nfs/dbraw/zinc/14/74/61/416147461.db2.gz QOBNLWCFVPSFDO-JTQLQIEISA-N 0 0 311.407 0.817 10 0 DCAERN COC(=O)[C@H](C)CC(=O)NC1CCN(c2ncccn2)CC1 ZINC000177871062 416153283 /nfs/dbraw/zinc/15/32/83/416153283.db2.gz UCCVQYOVLMXIMX-LLVKDONJSA-N 0 0 306.366 0.761 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177809142 416153437 /nfs/dbraw/zinc/15/34/37/416153437.db2.gz KEJKDWKRYKJDRD-GFCCVEGCSA-N 0 0 314.411 0.156 10 0 DCAERN CN1CC[C@@H](NC(=O)N2CC[C@H](Oc3cccnc3)C2)C1=O ZINC000177960250 416154973 /nfs/dbraw/zinc/15/49/73/416154973.db2.gz QGTODXFZPGJZKL-QWHCGFSZSA-N 0 0 304.350 0.475 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178723330 416170587 /nfs/dbraw/zinc/17/05/87/416170587.db2.gz ZECCVDDAWORUSP-MJBXVCDLSA-N 0 0 306.387 0.682 10 0 DCAERN Cc1ncc(CN2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)s1 ZINC000178884188 416175778 /nfs/dbraw/zinc/17/57/78/416175778.db2.gz HFFVJNLUHQBPSX-AWEZNQCLSA-N 0 0 312.414 0.797 10 0 DCAERN COC(=O)Nc1ccccc1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178968790 416179427 /nfs/dbraw/zinc/17/94/27/416179427.db2.gz YWWNFTOCBZQSGM-LBPRGKRZSA-N 0 0 318.377 0.595 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN3CCN2CC3)c1 ZINC000178960258 416179531 /nfs/dbraw/zinc/17/95/31/416179531.db2.gz FLNFLPBYGBJUED-GFCCVEGCSA-N 0 0 320.368 0.189 10 0 DCAERN O=C(/C=C/c1ccnc(Cl)c1)NC[C@H]1CN2CCN1CC2 ZINC000179101078 416182618 /nfs/dbraw/zinc/18/26/18/416182618.db2.gz CROTZQOGHVTDRD-AORQRIRUSA-N 0 0 306.797 0.864 10 0 DCAERN O=C(CNC(=O)N1CCC[C@@H]1c1ccco1)N1CCOCC1 ZINC000179760378 416191804 /nfs/dbraw/zinc/19/18/04/416191804.db2.gz ZRJSCAQLCCSQQC-GFCCVEGCSA-N 0 0 307.350 0.985 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc2ccccc21 ZINC000179687933 416191843 /nfs/dbraw/zinc/19/18/43/416191843.db2.gz PUCGPHUXMISNNN-ZDUSSCGKSA-N 0 0 320.370 0.715 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCC(=O)NCC1CC1 ZINC000180528008 416196983 /nfs/dbraw/zinc/19/69/83/416196983.db2.gz QYJXAFKOEUFROZ-UHFFFAOYSA-N 0 0 305.382 0.473 10 0 DCAERN CC(=O)N1CC[C@@H](Nc2ccc(C(=O)NC3CCCC3)nn2)C1 ZINC000330354238 416201458 /nfs/dbraw/zinc/20/14/58/416201458.db2.gz PJLTZAIBYISCQL-CYBMUJFWSA-N 0 0 317.393 1.182 10 0 DCAERN COc1cccc(C(=O)NCCNC(=O)c2ccn[nH]2)c1F ZINC000180922244 416202598 /nfs/dbraw/zinc/20/25/98/416202598.db2.gz VWLITPUWXAUNLZ-UHFFFAOYSA-N 0 0 306.297 0.717 10 0 DCAERN Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H](C)C2 ZINC000181105005 416203861 /nfs/dbraw/zinc/20/38/61/416203861.db2.gz JNPRXDWXUJWXQF-WFBYXXMGSA-N 0 0 301.346 0.943 10 0 DCAERN COCc1ccc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)o1 ZINC000181366154 416206427 /nfs/dbraw/zinc/20/64/27/416206427.db2.gz QFQXKHOFNKOIKJ-ZDUSSCGKSA-N 0 0 304.350 0.946 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)CNC(=O)CC(C)(C)C)cn1 ZINC000181369098 416206512 /nfs/dbraw/zinc/20/65/12/416206512.db2.gz SKDXEPOLCIZVFH-ZDUSSCGKSA-N 0 0 321.425 0.445 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)C(=O)Nc2ccccc2)cn1 ZINC000181363737 416206618 /nfs/dbraw/zinc/20/66/18/416206618.db2.gz LACCWQKVGXIAHC-CQSZACIVSA-N 0 0 313.361 0.532 10 0 DCAERN CCc1cnc(CCNC(=O)NCCCOCCO)s1 ZINC000181616268 416210588 /nfs/dbraw/zinc/21/05/88/416210588.db2.gz WLTVXJOCRYAXTR-UHFFFAOYSA-N 0 0 301.412 0.946 10 0 DCAERN Cn1cnc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 ZINC000182188150 416215816 /nfs/dbraw/zinc/21/58/16/416215816.db2.gz KOPMAUSJNHXGOS-UHFFFAOYSA-N 0 0 321.284 0.707 10 0 DCAERN COCCS(=O)(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000182354593 416219422 /nfs/dbraw/zinc/21/94/22/416219422.db2.gz GOIJRKFUKSUUJN-NSHDSACASA-N 0 0 314.411 0.769 10 0 DCAERN CN1CCO[C@H](CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC000182377146 416220920 /nfs/dbraw/zinc/22/09/20/416220920.db2.gz LLGJPPUFIUYJSC-CYBMUJFWSA-N 0 0 303.362 0.171 10 0 DCAERN C[C@@H](C(=O)N(C)CC(=O)NC[C@H](CO)C1CC1)n1cccn1 ZINC000358302220 416222061 /nfs/dbraw/zinc/22/20/61/416222061.db2.gz JNEYFRKIWDIJKS-WCQYABFASA-N 0 0 308.382 0.037 10 0 DCAERN CCn1c2ccccc2n(CC(=O)NC[C@H](CO)C2CC2)c1=O ZINC000358331282 416223670 /nfs/dbraw/zinc/22/36/70/416223670.db2.gz DJNDPHOPDABXRM-CYBMUJFWSA-N 0 0 317.389 0.958 10 0 DCAERN Cn1c2ccccc2n(CC(=O)NC[C@@H](CO)C2CC2)c1=O ZINC000358348293 416226597 /nfs/dbraw/zinc/22/65/97/416226597.db2.gz JBCAQCCVRCCMHL-LBPRGKRZSA-N 0 0 303.362 0.475 10 0 DCAERN COC(=O)CCCC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000182764289 416230414 /nfs/dbraw/zinc/23/04/14/416230414.db2.gz NLXKPNHPQMRLDD-UHFFFAOYSA-N 0 0 322.409 0.798 10 0 DCAERN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccco2)C1 ZINC000345850814 416159027 /nfs/dbraw/zinc/15/90/27/416159027.db2.gz OJFOHWJLTCPWGG-SNVBAGLBSA-N 0 0 301.368 0.280 10 0 DCAERN O=C(Cc1nc2ncccn2n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178308751 416161515 /nfs/dbraw/zinc/16/15/15/416161515.db2.gz YIGOGDDLFHNPOZ-ZDUSSCGKSA-N 0 0 324.344 0.742 10 0 DCAERN O=C(Nc1ccc(F)nc1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178340569 416162265 /nfs/dbraw/zinc/16/22/65/416162265.db2.gz VQYRAJHFDSWFPQ-TZMCWYRMSA-N 0 0 315.304 0.934 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cnc(-c2ccco2)s1 ZINC000178563194 416165465 /nfs/dbraw/zinc/16/54/65/416165465.db2.gz KCVMDOLKMSSNJQ-ZETCQYMHSA-N 0 0 305.315 0.938 10 0 DCAERN CCN1C(=S)N=NC1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000183560761 416245095 /nfs/dbraw/zinc/24/50/95/416245095.db2.gz RXOGIBRSZCEGGN-UHFFFAOYSA-N 0 0 306.395 0.978 10 0 DCAERN C[C@@H](O)CN(C(=O)NCc1cccnc1N(C)C)[C@H](C)CO ZINC000190278041 416277955 /nfs/dbraw/zinc/27/79/55/416277955.db2.gz JKUXDAFXJXYLSO-VXGBXAGGSA-N 0 0 310.398 0.421 10 0 DCAERN CCN(CCS(C)(=O)=O)Cc1cc(-c2cnn(C)c2)no1 ZINC000185041904 416252463 /nfs/dbraw/zinc/25/24/63/416252463.db2.gz SEZDOTPAUZFJRN-UHFFFAOYSA-N 0 0 312.395 0.942 10 0 DCAERN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)C(C)(C)O ZINC000358574046 416255914 /nfs/dbraw/zinc/25/59/14/416255914.db2.gz ZLGWRYKEOGMIPO-GFCCVEGCSA-N 0 0 314.407 0.874 10 0 DCAERN C[C@@H]1C(=O)N(C)CCN1C(=O)NCCNC(=O)c1ccccc1 ZINC000186132193 416257145 /nfs/dbraw/zinc/25/71/45/416257145.db2.gz GQFYEJLUKAQFIA-GFCCVEGCSA-N 0 0 318.377 0.289 10 0 DCAERN CCO[C@H]1C[C@@H](NC(=O)c2nccnc2N)C12CCOCC2 ZINC000186459710 416257375 /nfs/dbraw/zinc/25/73/75/416257375.db2.gz GIWUMESNLAEMSH-MNOVXSKESA-N 0 0 306.366 0.763 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000186814446 416258069 /nfs/dbraw/zinc/25/80/69/416258069.db2.gz MUWPKLYXAZYOPC-GFCCVEGCSA-N 0 0 300.399 0.491 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(=O)n(C)c1 ZINC000187800691 416263015 /nfs/dbraw/zinc/26/30/15/416263015.db2.gz GFXHEZDSAOVLFI-GFCCVEGCSA-N 0 0 306.366 0.764 10 0 DCAERN OCC1CN(c2nc3ccccc3c(N3CC(CO)C3)n2)C1 ZINC000192180086 416300754 /nfs/dbraw/zinc/30/07/54/416300754.db2.gz OBMJFVNUOOFNIS-UHFFFAOYSA-N 0 0 300.362 0.487 10 0 DCAERN CCC[C@@](C)(O)CNC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000359126127 416306753 /nfs/dbraw/zinc/30/67/53/416306753.db2.gz WGPNHSBXPPSFML-CQSZACIVSA-N 0 0 314.407 0.876 10 0 DCAERN COCCN1C[C@@H](C(=O)NCCc2c(C)nn(C)c2C)CC1=O ZINC000193302689 416315062 /nfs/dbraw/zinc/31/50/62/416315062.db2.gz MCRQFFHOVYQRQG-ZDUSSCGKSA-N 0 0 322.409 0.191 10 0 DCAERN CCc1cnc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000190532535 416280017 /nfs/dbraw/zinc/28/00/17/416280017.db2.gz VSOYKEONCRJVNW-IUCAKERBSA-N 0 0 324.406 0.804 10 0 DCAERN CC(=O)[C@H](C)CCCCC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000331200583 416284794 /nfs/dbraw/zinc/28/47/94/416284794.db2.gz PSSYRVHMWVLKQX-LLVKDONJSA-N 0 0 319.427 0.120 10 0 DCAERN CNc1nnc(SCCn2nc3ccccn3c2=O)s1 ZINC000358864886 416286464 /nfs/dbraw/zinc/28/64/64/416286464.db2.gz YXTDFIZXXDDHOT-UHFFFAOYSA-N 0 0 308.392 1.182 10 0 DCAERN CCn1cc([C@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)cn1 ZINC000191771837 416288567 /nfs/dbraw/zinc/28/85/67/416288567.db2.gz KQVFHAQQLQMSPF-WCQYABFASA-N 0 0 306.366 0.281 10 0 DCAERN CCN(CC(N)=O)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000191810814 416290812 /nfs/dbraw/zinc/29/08/12/416290812.db2.gz YPJUVNCPRCZYEB-SSDOTTSWSA-N 0 0 318.299 0.867 10 0 DCAERN COCCOc1ccc(CC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000191999037 416294960 /nfs/dbraw/zinc/29/49/60/416294960.db2.gz OYQARACXLCOOPV-MRXNPFEDSA-N 0 0 322.405 0.701 10 0 DCAERN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000192075621 416298767 /nfs/dbraw/zinc/29/87/67/416298767.db2.gz JNNBIOVJRICUAF-SNVBAGLBSA-N 0 0 321.381 0.387 10 0 DCAERN COCCOc1ccc(CC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000192131437 416299543 /nfs/dbraw/zinc/29/95/43/416299543.db2.gz CVHRVGZWOYTBSJ-CQSZACIVSA-N 0 0 320.389 0.991 10 0 DCAERN COCCOC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000359341760 416342539 /nfs/dbraw/zinc/34/25/39/416342539.db2.gz FFWKLRLGNLEQDN-CHWSQXEVSA-N 0 0 308.378 0.973 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)[S@@](=O)Cc1ccnc(C)n1 ZINC000359357851 416343340 /nfs/dbraw/zinc/34/33/40/416343340.db2.gz DVAHPYNZSDNQTE-FIKIJFGZSA-N 0 0 313.423 0.965 10 0 DCAERN O=C(CCCNC(=O)C1CC1)N1CCN(c2cccnn2)CC1 ZINC000195053472 416325075 /nfs/dbraw/zinc/32/50/75/416325075.db2.gz IEQLBEXEIGGDMJ-UHFFFAOYSA-N 0 0 317.393 0.432 10 0 DCAERN COC(=O)c1ccc(CNC(=O)C(=O)c2cnn(C)c2)cc1 ZINC000195155369 416325452 /nfs/dbraw/zinc/32/54/52/416325452.db2.gz AUFNINYZYNKVOC-UHFFFAOYSA-N 0 0 301.302 0.706 10 0 DCAERN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1COCCN1 ZINC000237975325 416329499 /nfs/dbraw/zinc/32/94/99/416329499.db2.gz KKCYFIPEKXWLPS-HOTGVXAUSA-N 0 0 319.405 0.165 10 0 DCAERN O=C(C[C@@H]1CSCC[NH2+]1)NCCNC(=O)c1ccccc1 ZINC000238053764 416329867 /nfs/dbraw/zinc/32/98/67/416329867.db2.gz AHWMJZIMBKLRQY-CYBMUJFWSA-N 0 0 307.419 0.628 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000360868156 416415329 /nfs/dbraw/zinc/41/53/29/416415329.db2.gz XGHFGAHTJLEENS-VXGBXAGGSA-N 0 0 300.399 0.849 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 ZINC000360972154 416417362 /nfs/dbraw/zinc/41/73/62/416417362.db2.gz ZMPVWZKAUUKBFO-ZDUSSCGKSA-N 0 0 310.375 0.782 10 0 DCAERN COc1ccc(C(=O)N2CCN(Cc3nc(C)no3)CC2)nc1 ZINC000360139562 416374441 /nfs/dbraw/zinc/37/44/41/416374441.db2.gz DEBITZTXAGQVEE-UHFFFAOYSA-N 0 0 317.349 0.740 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCC(F)(F)C1 ZINC000360308135 416384831 /nfs/dbraw/zinc/38/48/31/416384831.db2.gz HGTWYBKDLJGPSF-GUBZILKMSA-N 0 0 320.336 0.994 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@](C)(CC)OC ZINC000360312234 416385510 /nfs/dbraw/zinc/38/55/10/416385510.db2.gz ZROOPOVUCUXLNC-BHDSKKPTSA-N 0 0 302.371 0.374 10 0 DCAERN COc1c(NC(=O)NC[C@H](O)C(F)F)cccc1C(N)=O ZINC000360383805 416387663 /nfs/dbraw/zinc/38/76/63/416387663.db2.gz QFBCJFRDFCIMCL-QMMMGPOBSA-N 0 0 303.265 0.542 10 0 DCAERN CC[C@H](CSC)NC(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000360766642 416409277 /nfs/dbraw/zinc/40/92/77/416409277.db2.gz RVGTYIQHVZUDCT-CMPLNLGQSA-N 0 0 315.439 0.323 10 0 DCAERN Cn1ccnc1N1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000532975696 416465252 /nfs/dbraw/zinc/46/52/52/416465252.db2.gz ZBDAOUXALIFDRT-UHFFFAOYSA-N 0 0 311.349 0.425 10 0 DCAERN CCOCCOC[C@@H](O)CNC(=O)c1cccc2nccnc21 ZINC000361632672 416465867 /nfs/dbraw/zinc/46/58/67/416465867.db2.gz UFABZOOJOTUREE-LBPRGKRZSA-N 0 0 319.361 0.774 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)NC[C@H](O)Cn2ccnn2)C12CCC2 ZINC000458452076 416471316 /nfs/dbraw/zinc/47/13/16/416471316.db2.gz WQOZFVVXPKNADP-RWMBFGLXSA-N 0 0 323.397 0.286 10 0 DCAERN O=C(Nc1ccccc1C(=O)N1CCOCC1)NC1(CO)CC1 ZINC000583576906 416475595 /nfs/dbraw/zinc/47/55/95/416475595.db2.gz OCLHDQIUTUEIRO-UHFFFAOYSA-N 0 0 319.361 0.805 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000458553680 416481429 /nfs/dbraw/zinc/48/14/29/416481429.db2.gz XFIDCMZEOZWXIS-YNEHKIRRSA-N 0 0 312.414 0.641 10 0 DCAERN COC(=O)C1(C(=O)NCCCc2nnc3ccccn32)CC1 ZINC000361759868 416491550 /nfs/dbraw/zinc/49/15/50/416491550.db2.gz OIQDHDYLZVSXNC-UHFFFAOYSA-N 0 0 302.334 0.731 10 0 DCAERN CC(C)n1ccc(NC(=O)[C@@](C)(O)Cn2ccccc2=O)n1 ZINC000361321299 416429624 /nfs/dbraw/zinc/42/96/24/416429624.db2.gz NCKIOQKOXRHBFX-HNNXBMFYSA-N 0 0 304.350 1.015 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccn(C)n2)c1 ZINC000458310795 416452744 /nfs/dbraw/zinc/45/27/44/416452744.db2.gz XNCLZBVRGBWWRV-SNVBAGLBSA-N 0 0 322.390 0.819 10 0 DCAERN C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCSC[C@H]1CCO ZINC000535455862 416521245 /nfs/dbraw/zinc/52/12/45/416521245.db2.gz HSQXWDIPNGSBSR-CMPLNLGQSA-N 0 0 308.469 0.761 10 0 DCAERN OC[C@@H]1CCCN(c2cc(NC[C@H](O)C(F)F)ncn2)C1 ZINC000435590920 416525061 /nfs/dbraw/zinc/52/50/61/416525061.db2.gz ANFFNKFLHCJHTH-ZJUUUORDSA-N 0 0 302.325 0.723 10 0 DCAERN Cc1cnc(NC[C@H](O)C(F)F)nc1NC[C@H](O)C(F)F ZINC000435604233 416525866 /nfs/dbraw/zinc/52/58/66/416525866.db2.gz CKFSHADZJDELIB-BQBZGAKWSA-N 0 0 312.267 0.861 10 0 DCAERN OC[C@H]1CCCN(c2cc(NC[C@@H](O)C(F)F)ncn2)C1 ZINC000435590919 416526841 /nfs/dbraw/zinc/52/68/41/416526841.db2.gz ANFFNKFLHCJHTH-VHSXEESVSA-N 0 0 302.325 0.723 10 0 DCAERN CC(C)c1nn(C)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000361947888 416530392 /nfs/dbraw/zinc/53/03/92/416530392.db2.gz VRKFTWDAMHMULC-GHMZBOCLSA-N 0 0 308.382 0.759 10 0 DCAERN C[C@H](C(=O)NC(N)=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000361987632 416539497 /nfs/dbraw/zinc/53/94/97/416539497.db2.gz UBKGXFRKVSNERR-YPMHNXCESA-N 0 0 307.350 0.350 10 0 DCAERN CC(=O)Nc1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)ccc1C ZINC000536525645 416540171 /nfs/dbraw/zinc/54/01/71/416540171.db2.gz SXVJKUCJMUSLPR-GFCCVEGCSA-N 0 0 304.350 0.836 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000536527766 416541875 /nfs/dbraw/zinc/54/18/75/416541875.db2.gz UPSCRBSNAYIDOD-ZETCQYMHSA-N 0 0 301.144 0.660 10 0 DCAERN CCO[C@H]1C[C@@](CO)(NC(=O)NCc2ccn(C)n2)C1(C)C ZINC000436371676 416555758 /nfs/dbraw/zinc/55/57/58/416555758.db2.gz WSAFLENAAUCSPY-WFASDCNBSA-N 0 0 310.398 0.785 10 0 DCAERN O=C1Nc2ccccc2CC[C@@H]1N1CCN2CCOC[C@@H]2C1 ZINC000361769978 416494795 /nfs/dbraw/zinc/49/47/95/416494795.db2.gz VEDQSZGRDCTKAF-HOCLYGCPSA-N 0 0 301.390 0.956 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434825434 416497304 /nfs/dbraw/zinc/49/73/04/416497304.db2.gz IURGYCFLZUNUGS-JGVFFNPUSA-N 0 0 324.406 0.587 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)C[C@H]1O ZINC000434836249 416498409 /nfs/dbraw/zinc/49/84/09/416498409.db2.gz LIMBHLZTWKQIPH-GHMZBOCLSA-N 0 0 321.377 1.284 10 0 DCAERN O=C(NCC1CCS(=O)(=O)CC1)c1cn2cccnc2n1 ZINC000534457958 416504146 /nfs/dbraw/zinc/50/41/46/416504146.db2.gz VHTXEIGDQGDPGX-UHFFFAOYSA-N 0 0 308.363 0.284 10 0 DCAERN CCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000361825953 416505351 /nfs/dbraw/zinc/50/53/51/416505351.db2.gz PPUOAVSKYZGFAD-GFCCVEGCSA-N 0 0 320.393 0.971 10 0 DCAERN CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)ncn2)c1 ZINC000534643170 416506327 /nfs/dbraw/zinc/50/63/27/416506327.db2.gz JHQSAUQJRACUON-UHFFFAOYSA-N 0 0 306.347 0.945 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)C2(S(C)(=O)=O)CCC2)n1 ZINC000361860923 416511779 /nfs/dbraw/zinc/51/17/79/416511779.db2.gz RYQXCGUBYNSJMB-UHFFFAOYSA-N 0 0 300.384 0.939 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@@H](O)COc2ccccc2)n1 ZINC000535032633 416513439 /nfs/dbraw/zinc/51/34/39/416513439.db2.gz RVDFDEVDQVUPFA-CYBMUJFWSA-N 0 0 304.350 0.659 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000361884194 416516715 /nfs/dbraw/zinc/51/67/15/416516715.db2.gz BSKWWDBJACHBHM-QMMMGPOBSA-N 0 0 302.256 1.445 10 0 DCAERN C[C@@H](CNC(=O)CCOc1cccc(Cl)c1)S(N)(=O)=O ZINC000538830824 416574173 /nfs/dbraw/zinc/57/41/73/416574173.db2.gz SHJSRWLAWKNCSM-VIFPVBQESA-N 0 0 320.798 0.902 10 0 DCAERN CN(Cc1nnnn1C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000539908676 416586167 /nfs/dbraw/zinc/58/61/67/416586167.db2.gz JMAMCLOEWVYGJK-UHFFFAOYSA-N 0 0 302.317 0.562 10 0 DCAERN C[C@H]1CN([C@@H]2CCc3ccccc3NC2=O)CCN1CCO ZINC000364588044 416589576 /nfs/dbraw/zinc/58/95/76/416589576.db2.gz OLMKZJCWGGOELO-XJKSGUPXSA-N 0 0 303.406 0.938 10 0 DCAERN COCc1cncc(C(=O)N[C@@]2(CC(=O)OC)CCOC2)c1 ZINC000613359710 416678853 /nfs/dbraw/zinc/67/88/53/416678853.db2.gz CTUWMSZCYMCOGN-OAHLLOKOSA-N 0 0 308.334 0.680 10 0 DCAERN CN1CCOC[C@@H]1C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000542818193 416631470 /nfs/dbraw/zinc/63/14/70/416631470.db2.gz KLIDSZCQYXDZMC-GFCCVEGCSA-N 0 0 302.338 0.060 10 0 DCAERN CN1CCOC[C@@H]1C(=O)NCc1ccccc1-n1cccn1 ZINC000542817570 416632269 /nfs/dbraw/zinc/63/22/69/416632269.db2.gz XHGZZFVOCVALOO-OAHLLOKOSA-N 0 0 300.362 0.819 10 0 DCAERN Cc1nc(CN(C)C(=O)CNC(=O)c2ccc(O)cc2)no1 ZINC000542834514 416633680 /nfs/dbraw/zinc/63/36/80/416633680.db2.gz JEDRIWMZHUXILK-UHFFFAOYSA-N 0 0 304.306 0.472 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000543566903 416639960 /nfs/dbraw/zinc/63/99/60/416639960.db2.gz OENFODRWUCDMDS-NSHDSACASA-N 0 0 314.349 0.206 10 0 DCAERN CC(=O)N1CCN(C(=O)Cn2cnc3c2CCCC3)[C@H](C)C1 ZINC000543691341 416644291 /nfs/dbraw/zinc/64/42/91/416644291.db2.gz BJRKVCNBBZZCLR-GFCCVEGCSA-N 0 0 304.394 0.841 10 0 DCAERN CC(C)(C)N1C[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000544589783 416656370 /nfs/dbraw/zinc/65/63/70/416656370.db2.gz XUJJLHZDBXWYNM-OLZOCXBDSA-N 0 0 309.410 0.176 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000368048431 416656583 /nfs/dbraw/zinc/65/65/83/416656583.db2.gz QNGISXNYBKZJGC-IJLUTSLNSA-N 0 0 303.428 0.155 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN2c2nccs2)CC(=O)N1C ZINC000368524781 416664687 /nfs/dbraw/zinc/66/46/87/416664687.db2.gz BSSDJKZGCAROBN-QWRGUYRKSA-N 0 0 308.407 0.801 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000545318294 416673289 /nfs/dbraw/zinc/67/32/89/416673289.db2.gz XMRSALGAOGVSTG-JTQLQIEISA-N 0 0 310.441 0.130 10 0 DCAERN CCN(C(=O)C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCNC1=O ZINC000441526607 416675396 /nfs/dbraw/zinc/67/53/96/416675396.db2.gz TWHNGIIUZKCZAT-LLVKDONJSA-N 0 0 306.366 0.558 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000443263413 416744813 /nfs/dbraw/zinc/74/48/13/416744813.db2.gz ALZNFINBYUUQGI-UHFFFAOYSA-N 0 0 302.334 0.652 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000443261832 416745326 /nfs/dbraw/zinc/74/53/26/416745326.db2.gz IGGXSLPNDICUCY-UHFFFAOYSA-N 0 0 317.349 0.106 10 0 DCAERN Cc1cc(NC(=O)CN2CCOCC2=O)nn1[C@@H](C)C1CC1 ZINC000548719722 416691089 /nfs/dbraw/zinc/69/10/89/416691089.db2.gz SACCYFJMBFKUBS-NSHDSACASA-N 0 0 306.366 0.960 10 0 DCAERN O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H](O)C2(CC2)C1 ZINC000368785928 416691647 /nfs/dbraw/zinc/69/16/47/416691647.db2.gz GPYNFBOTNADVHA-DGCLKSJQSA-N 0 0 304.346 0.611 10 0 DCAERN O=c1cc(CN2CCN3CCOC[C@H]3C2)nc2sccn21 ZINC000368819776 416695615 /nfs/dbraw/zinc/69/56/15/416695615.db2.gz XTMGJSWNPFYYDO-GFCCVEGCSA-N 0 0 306.391 0.272 10 0 DCAERN Cc1cccc(CNC(=O)CN2CCN3CCOC[C@H]3C2)c1 ZINC000368815282 416696036 /nfs/dbraw/zinc/69/60/36/416696036.db2.gz BEPSAEAIHLBSQE-MRXNPFEDSA-N 0 0 303.406 0.628 10 0 DCAERN COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000442539602 416696637 /nfs/dbraw/zinc/69/66/37/416696637.db2.gz PTLOORLWVLUIFR-NSHDSACASA-N 0 0 324.381 0.254 10 0 DCAERN c1cc(N2CCOC3(CCOCC3)C2)nc(N2CCOCC2)n1 ZINC000368857669 416700814 /nfs/dbraw/zinc/70/08/14/416700814.db2.gz XBQIYTXGAUACBY-UHFFFAOYSA-N 0 0 320.393 0.699 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1cncnc1N ZINC000555211168 416711341 /nfs/dbraw/zinc/71/13/41/416711341.db2.gz JQFLBXXAOQYNTG-LLVKDONJSA-N 0 0 301.354 0.669 10 0 DCAERN CC(=O)c1ccc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)nc1 ZINC000425672504 416719839 /nfs/dbraw/zinc/71/98/39/416719839.db2.gz WEFJBRYUUWWDAF-JTQLQIEISA-N 0 0 304.306 0.553 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000369169207 416730734 /nfs/dbraw/zinc/73/07/34/416730734.db2.gz YVXYXSLPWRHORW-DMDPSCGWSA-N 0 0 303.366 0.187 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1)n1cncn1 ZINC000369283833 416739932 /nfs/dbraw/zinc/73/99/32/416739932.db2.gz FHZLEDQHDXIBIP-VXGBXAGGSA-N 0 0 323.422 0.406 10 0 DCAERN CC1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2nccn2C)CC1 ZINC000623148237 416757454 /nfs/dbraw/zinc/75/74/54/416757454.db2.gz QEGRDGVXAHRFCR-CHWSQXEVSA-N 0 0 320.393 0.625 10 0 DCAERN C[C@H](O)CN(C(=O)NCc1nnc2ccccn21)[C@@H](C)CO ZINC000443537614 416766314 /nfs/dbraw/zinc/76/63/14/416766314.db2.gz DFFZBIFCSFPCMU-QWRGUYRKSA-N 0 0 307.354 0.003 10 0 DCAERN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000369594033 416802952 /nfs/dbraw/zinc/80/29/52/416802952.db2.gz IEFZUBYJMMIJEU-QJPTWQEYSA-N 0 0 306.366 0.280 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000369977286 416859351 /nfs/dbraw/zinc/85/93/51/416859351.db2.gz NHRLUNHROQJKJG-MRXNPFEDSA-N 0 0 317.393 0.384 10 0 DCAERN COC(=O)c1ccnc(NC(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000444934414 416875509 /nfs/dbraw/zinc/87/55/09/416875509.db2.gz XSPZQNWVEOVFCT-VIFPVBQESA-N 0 0 307.310 0.143 10 0 DCAERN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)OC ZINC000615647145 416881855 /nfs/dbraw/zinc/88/18/55/416881855.db2.gz FXMPAKVMTWVEPA-DTWKUNHWSA-N 0 0 311.338 0.588 10 0 DCAERN CCO[C@@H]1C[C@](NS(=O)(=O)N(C)C)(C(=O)OC)C1(C)C ZINC000444286202 416830023 /nfs/dbraw/zinc/83/00/23/416830023.db2.gz MHSIYAPSPFHOCH-SKDRFNHKSA-N 0 0 308.400 0.129 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)CN(C3CCC3)C2=O)c1 ZINC000445943183 416906164 /nfs/dbraw/zinc/90/61/64/416906164.db2.gz HPPQLJNRDYQIMU-UHFFFAOYSA-N 0 0 323.374 0.916 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N(C)C(C)(C)C2=O)c1 ZINC000445943572 416907199 /nfs/dbraw/zinc/90/71/99/416907199.db2.gz JGDXYSAVJKCWBT-UHFFFAOYSA-N 0 0 311.363 0.772 10 0 DCAERN COCCCN(CCO)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000446059171 416912787 /nfs/dbraw/zinc/91/27/87/416912787.db2.gz DRRANKYUFIEOQJ-UHFFFAOYSA-N 0 0 310.350 0.685 10 0 DCAERN O=C(CNC(=O)N1CCc2ncsc2C1)NCC(F)(F)F ZINC000446126918 416915484 /nfs/dbraw/zinc/91/54/84/416915484.db2.gz OZMBMLZYTLYODI-UHFFFAOYSA-N 0 0 322.312 0.889 10 0 DCAERN CS(=O)(=O)N1CCC(N2C(=O)N[C@H](CC3CC3)C2=O)CC1 ZINC000519740030 416933227 /nfs/dbraw/zinc/93/32/27/416933227.db2.gz CWFKTBDXBHCZNM-LLVKDONJSA-N 0 0 315.395 0.131 10 0 DCAERN O=C(CN1C[C@H](F)C[C@@H]1CO)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000372897651 416945226 /nfs/dbraw/zinc/94/52/26/416945226.db2.gz OIVDKBFMYSZADU-YIYPIFLZSA-N 0 0 300.374 0.561 10 0 DCAERN O=C([C@H]1CCCC12OCCO2)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000376613570 417033023 /nfs/dbraw/zinc/03/30/23/417033023.db2.gz YYJRKBBRDQPRLZ-CHWSQXEVSA-N 0 0 323.393 0.546 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000374411405 416980960 /nfs/dbraw/zinc/98/09/60/416980960.db2.gz ZCCJZYSFIDAIDB-XHBSWPGZSA-N 0 0 310.394 0.903 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000374900896 416990052 /nfs/dbraw/zinc/99/00/52/416990052.db2.gz IWYVPHHRVLCEKS-XHDPSFHLSA-N 0 0 323.393 0.782 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000632373821 417049754 /nfs/dbraw/zinc/04/97/54/417049754.db2.gz GUGDRMMWBKQIIX-HZSPNIEDSA-N 0 0 308.378 0.594 10 0 DCAERN CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000616591357 417082542 /nfs/dbraw/zinc/08/25/42/417082542.db2.gz XCDVOAZVARITEI-BKQXGZDCSA-N 0 0 323.345 0.338 10 0 DCAERN CCOC(=O)c1ccccc1[C@H]1CN(S(C)(=O)=O)CCN1 ZINC000616604150 417083819 /nfs/dbraw/zinc/08/38/19/417083819.db2.gz VHQPHXADFAKVFD-CYBMUJFWSA-N 0 0 312.391 0.769 10 0 DCAERN CS(=O)(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616599267 417085502 /nfs/dbraw/zinc/08/55/02/417085502.db2.gz XVCWKXJECMYSQM-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN O=S(=O)([C@H]1CCOC1)N1CCCN(c2cccnn2)CC1 ZINC000523571934 417085853 /nfs/dbraw/zinc/08/58/53/417085853.db2.gz JLRDUWJOVOYKBL-LBPRGKRZSA-N 0 0 312.395 0.107 10 0 DCAERN Cc1nn(C)cc1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000448627862 417086550 /nfs/dbraw/zinc/08/65/50/417086550.db2.gz NNYSKXFEOHBRSS-BETUJISGSA-N 0 0 308.426 0.887 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616659462 417089236 /nfs/dbraw/zinc/08/92/36/417089236.db2.gz NNZSHFJKUSTLIL-GFCCVEGCSA-N 0 0 308.363 0.597 10 0 DCAERN CC(=O)Nc1cccc([C@@H]2CCOCCN2S(N)(=O)=O)c1 ZINC000616657550 417090472 /nfs/dbraw/zinc/09/04/72/417090472.db2.gz DPPXTOCACGHJST-ZDUSSCGKSA-N 0 0 313.379 0.612 10 0 DCAERN NS(=O)(=O)N1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616665340 417091269 /nfs/dbraw/zinc/09/12/69/417091269.db2.gz UASUNKZGFFLWLA-CYBMUJFWSA-N 0 0 308.363 0.597 10 0 DCAERN Cc1nn(C)cc1CC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000448635301 417091561 /nfs/dbraw/zinc/09/15/61/417091561.db2.gz YYLNRJMNSYQADD-HNNXBMFYSA-N 0 0 308.426 0.744 10 0 DCAERN Nc1ncccc1[C@H]1CNc2ccccc2N1S(N)(=O)=O ZINC000616682073 417093046 /nfs/dbraw/zinc/09/30/46/417093046.db2.gz DTWMWQOFMMFQIS-GFCCVEGCSA-N 0 0 305.363 0.841 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(N)(=O)=O)CCO1 ZINC000616666637 417094174 /nfs/dbraw/zinc/09/41/74/417094174.db2.gz OIOZKLINWXYFIH-SNVBAGLBSA-N 0 0 323.415 0.196 10 0 DCAERN Cn1ccnc1[C@@H](NC(=O)CN1CCCNC1=O)C(C)(C)CO ZINC000616870220 417124337 /nfs/dbraw/zinc/12/43/37/417124337.db2.gz OUAZHRDMFGYUDS-GFCCVEGCSA-N 0 0 323.397 0.011 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cnn(C)c3)CCO2)c1 ZINC000568220952 417106157 /nfs/dbraw/zinc/10/61/57/417106157.db2.gz QPBAZVPYUNJHBS-CQSZACIVSA-N 0 0 319.365 0.231 10 0 DCAERN CN(CC1CC1)C(=O)CN1C(=O)NC2(CCSCC2)C1=O ZINC000524455793 417108717 /nfs/dbraw/zinc/10/87/17/417108717.db2.gz BAHUBKGJIYYEKJ-UHFFFAOYSA-N 0 0 311.407 0.672 10 0 DCAERN CCn1cc(S(=O)(=O)NCC[C@@]2(O)CCOC2)nc1C ZINC000404212401 417117082 /nfs/dbraw/zinc/11/70/82/417117082.db2.gz WHYXMHMPQAJALG-GFCCVEGCSA-N 0 0 303.384 0.031 10 0 DCAERN COc1nc(NCC[C@]2(O)CCOC2)ncc1Br ZINC000404167881 417117669 /nfs/dbraw/zinc/11/76/69/417117669.db2.gz QSWWWKBXISATJU-NSHDSACASA-N 0 0 318.171 0.623 10 0 DCAERN CN1CC[C@@H](NC(=O)c2nscc2Br)C1=O ZINC000404857538 417120980 /nfs/dbraw/zinc/12/09/80/417120980.db2.gz VTPQUUHUCPGFSJ-ZCFIWIBFSA-N 0 0 304.169 0.866 10 0 DCAERN CC(C)N1CCC[C@@H](N(C)C[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000407950616 417128395 /nfs/dbraw/zinc/12/83/95/417128395.db2.gz BSQCXDMTVHLETC-QWHCGFSZSA-N 0 0 302.440 0.752 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C ZINC000407952571 417128678 /nfs/dbraw/zinc/12/86/78/417128678.db2.gz IKSRHDGMDSOCMK-MNOVXSKESA-N 0 0 310.398 0.258 10 0 DCAERN CC1(C)NC(=O)CC[C@H]1NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000407985205 417130336 /nfs/dbraw/zinc/13/03/36/417130336.db2.gz MOSZGRWQRUZTRR-MWLCHTKSSA-N 0 0 308.382 0.106 10 0 DCAERN C[C@H]1C[C@@H](C(=O)Nc2n[nH]cc2Br)CC(=O)N1 ZINC000408072154 417136957 /nfs/dbraw/zinc/13/69/57/417136957.db2.gz MOGYRSNXICQZLS-NTSWFWBYSA-N 0 0 301.144 1.025 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408076257 417139287 /nfs/dbraw/zinc/13/92/87/417139287.db2.gz FZTCZIWAWFKZCD-VXGBXAGGSA-N 0 0 303.428 0.420 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000408112194 417140940 /nfs/dbraw/zinc/14/09/40/417140940.db2.gz JENXOYMPYSSPOB-OLZOCXBDSA-N 0 0 317.389 0.963 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000408093144 417141596 /nfs/dbraw/zinc/14/15/96/417141596.db2.gz UTKTUPJUGZPALU-AWEZNQCLSA-N 0 0 317.393 0.890 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCOC(C)(C)C2)[C@H]1CO ZINC000408121775 417142366 /nfs/dbraw/zinc/14/23/66/417142366.db2.gz FWPUGKNPQCUXOC-RYUDHWBXSA-N 0 0 306.428 0.435 10 0 DCAERN CS(=O)(=O)C1(C(=O)N2CCC[C@](F)(CO)C2)CCCC1 ZINC000408119676 417144515 /nfs/dbraw/zinc/14/45/15/417144515.db2.gz MVCDLAKEZAAVJF-GFCCVEGCSA-N 0 0 307.387 0.667 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408204461 417145245 /nfs/dbraw/zinc/14/52/45/417145245.db2.gz UUYWTQGYGKJIHZ-VWYCJHECSA-N 0 0 305.382 0.706 10 0 DCAERN COC(=O)[C@H]1CCCCN1S(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408370267 417156376 /nfs/dbraw/zinc/15/63/76/417156376.db2.gz ITMMCZFGGPPXPL-GRYCIOLGSA-N 0 0 320.411 0.368 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]([C@H](C)O)C2)c1 ZINC000568769222 417175116 /nfs/dbraw/zinc/17/51/16/417175116.db2.gz DELFBJYJBUNOLD-FZMZJTMJSA-N 0 0 313.375 0.660 10 0 DCAERN CC1(C)CN(C(=O)COC[C@H]2CCCO2)C[C@@]2(CCOC2)O1 ZINC000526036947 417179062 /nfs/dbraw/zinc/17/90/62/417179062.db2.gz YLUXCZDWUXNKDD-CZUORRHYSA-N 0 0 313.394 0.979 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000617267531 417192912 /nfs/dbraw/zinc/19/29/12/417192912.db2.gz PQTQEHZBDNMZRB-ZIAGYGMSSA-N 0 0 305.382 0.385 10 0 DCAERN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccc(C(F)(F)F)n2)O1 ZINC000450115988 417200595 /nfs/dbraw/zinc/20/05/95/417200595.db2.gz QRZKRBMCSVBRKL-CBAPKCEASA-N 0 0 317.267 0.863 10 0 DCAERN COc1cccc(OCCC(=O)N(C)Cc2nnnn2C)c1 ZINC000450151736 417202156 /nfs/dbraw/zinc/20/21/56/417202156.db2.gz HYJSLQQZRZIZPI-UHFFFAOYSA-N 0 0 305.338 0.646 10 0 DCAERN COC[C@@]1(CO)CCN(c2nc(C(C)C)nc(N(C)C)n2)C1 ZINC000450891689 417277913 /nfs/dbraw/zinc/27/79/13/417277913.db2.gz BCPDGUNQFZKDAW-HNNXBMFYSA-N 0 0 309.414 0.896 10 0 DCAERN CNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)n1 ZINC000451017646 417291251 /nfs/dbraw/zinc/29/12/51/417291251.db2.gz KNJQONVYQYMEMV-UHFFFAOYSA-N 0 0 311.285 0.379 10 0 DCAERN COCC[C@]1(NC(=O)NCc2nnc3ccccn32)CCOC1 ZINC000570473619 417359944 /nfs/dbraw/zinc/35/99/44/417359944.db2.gz OMKTWQUMFBQTQL-HNNXBMFYSA-N 0 0 319.365 0.724 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1cc(CC)nc(C)n1 ZINC000569878541 417305703 /nfs/dbraw/zinc/30/57/03/417305703.db2.gz XFAJSWMLOOCWSA-ZJUUUORDSA-N 0 0 308.382 1.216 10 0 DCAERN CC(C)(C)n1cc(C(=O)C(=O)NCCN2CCCOCC2)cn1 ZINC000438686032 287374539 /nfs/dbraw/zinc/37/45/39/287374539.db2.gz JUNFAJCWHYJVSO-UHFFFAOYSA-N 0 0 322.409 0.659 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000451310680 417331289 /nfs/dbraw/zinc/33/12/89/417331289.db2.gz FVYRDWODZOHLPY-VXGBXAGGSA-N 0 0 306.428 0.541 10 0 DCAERN CC(=O)NC1CCC(NC(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000570914996 417404028 /nfs/dbraw/zinc/40/40/28/417404028.db2.gz NGJUHRMYSFACAJ-NRXISQOPSA-N 0 0 324.425 0.160 10 0 DCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)no1 ZINC000643947551 417422325 /nfs/dbraw/zinc/42/23/25/417422325.db2.gz ZCJORDHQUAQPSZ-HNNXBMFYSA-N 0 0 307.350 0.919 10 0 DCAERN CCOc1ncccc1NC(=O)C(=O)N(C)Cc1cnccn1 ZINC000438787295 287375924 /nfs/dbraw/zinc/37/59/24/287375924.db2.gz VJCYOQPDEJSFLC-UHFFFAOYSA-N 0 0 315.333 0.867 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H](O)CCSC)CC12COC2 ZINC000452617681 417493358 /nfs/dbraw/zinc/49/33/58/417493358.db2.gz UWBFHPOGJFRGFT-MNOVXSKESA-N 0 0 317.407 0.139 10 0 DCAERN CC1(C)C[C@@H](C(=O)NCCCCS(N)(=O)=O)C(C)(C)O1 ZINC000627532701 417454106 /nfs/dbraw/zinc/45/41/06/417454106.db2.gz OKGRSPAJNCPGFS-JTQLQIEISA-N 0 0 306.428 0.765 10 0 DCAERN CCc1nnc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)[nH]1 ZINC000452180117 417460906 /nfs/dbraw/zinc/46/09/06/417460906.db2.gz BIQGRAWASKYKNN-UHFFFAOYSA-N 0 0 323.378 0.205 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)C(=O)c2ccccc2)CC12COC2 ZINC000452264835 417462843 /nfs/dbraw/zinc/46/28/43/417462843.db2.gz PEAPTVPPRRTLBC-ZDUSSCGKSA-N 0 0 317.341 0.907 10 0 DCAERN C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H]1COc2ccccc21 ZINC000129089021 299048417 /nfs/dbraw/zinc/04/84/17/299048417.db2.gz DIGNPAVYVUSAHV-CMPLNLGQSA-N 0 0 312.391 0.559 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000633680005 417477393 /nfs/dbraw/zinc/47/73/93/417477393.db2.gz CGFZAYQGWHDKDA-HUUCEWRRSA-N 0 0 315.373 0.827 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCC2CCCCCC2)nn1 ZINC000453894859 417535518 /nfs/dbraw/zinc/53/55/18/417535518.db2.gz DNSWUESJIAPZPJ-UHFFFAOYSA-N 0 0 306.366 1.510 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)NCCCCOC)CC12COC2 ZINC000454275102 417554376 /nfs/dbraw/zinc/55/43/76/417554376.db2.gz IBLYDXGSWQGYHF-LBPRGKRZSA-N 0 0 314.382 0.634 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccsc1Br ZINC000529774057 417504016 /nfs/dbraw/zinc/50/40/16/417504016.db2.gz XMZYTJAJYFQPPO-VDTYLAMSSA-N 0 0 319.180 0.571 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000575147424 417517894 /nfs/dbraw/zinc/51/78/94/417517894.db2.gz XTUYLFXDPCWXLN-OAHLLOKOSA-N 0 0 302.334 0.646 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cc(C)n(C)n2)CC12COC2 ZINC000455011689 417588795 /nfs/dbraw/zinc/58/87/95/417588795.db2.gz QRMHOORZBUSDGJ-LLVKDONJSA-N 0 0 322.365 0.772 10 0 DCAERN COC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439820308 287390083 /nfs/dbraw/zinc/39/00/83/287390083.db2.gz JCVWDQOVXKIWMN-SNVBAGLBSA-N 0 0 305.334 0.513 10 0 DCAERN CNC(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000455467783 417604746 /nfs/dbraw/zinc/60/47/46/417604746.db2.gz QJLKAHDQATUMPO-WCQYABFASA-N 0 0 318.377 0.616 10 0 DCAERN C[C@H](C(=O)NC[C@H](C)N1CCCCC1=O)N1C(=O)CCC1=O ZINC000530294424 417563428 /nfs/dbraw/zinc/56/34/28/417563428.db2.gz ONTGLGIBJWNHPO-WDEREUQCSA-N 0 0 309.366 0.041 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NCC[C@@H](C)OC)CC12COC2 ZINC000454464783 417564095 /nfs/dbraw/zinc/56/40/95/417564095.db2.gz FZFGUOYTBRKAFE-VXGBXAGGSA-N 0 0 314.382 0.633 10 0 DCAERN O=C(CN1CCCC[C@H](O)C1=O)NCc1ccc2c(c1)COC2 ZINC000644401526 417565182 /nfs/dbraw/zinc/56/51/82/417565182.db2.gz TZQXFUZICNXNAP-HNNXBMFYSA-N 0 0 318.373 0.706 10 0 DCAERN CCC[C@H](CNC(=O)N[C@@H]1CCN(C(=O)NCC)C1)OC ZINC000454673488 417575095 /nfs/dbraw/zinc/57/50/95/417575095.db2.gz JGUTUCOWUZDRAJ-VXGBXAGGSA-N 0 0 300.403 0.905 10 0 DCAERN Cc1cc(CC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)no1 ZINC000531301040 417616584 /nfs/dbraw/zinc/61/65/84/417616584.db2.gz PPNHCSHWKYMWTB-UHFFFAOYSA-N 0 0 304.354 0.296 10 0 DCAERN CC(=O)c1cn(CC(=O)N[C@@H]2COc3cccc(C)c3C2)nn1 ZINC000628466146 417622234 /nfs/dbraw/zinc/62/22/34/417622234.db2.gz USHRUZBPOMWZSY-LBPRGKRZSA-N 0 0 314.345 0.909 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)c2cnn(C)c2C(F)F)C1 ZINC000531609704 417629515 /nfs/dbraw/zinc/62/95/15/417629515.db2.gz WHQCZJUUODYAKZ-MRVPVSSYSA-N 0 0 315.324 0.891 10 0 DCAERN CC(=O)c1ccc(CC(=O)N2CCN(CCO)C[C@H]2C)cc1 ZINC000457142705 417693652 /nfs/dbraw/zinc/69/36/52/417693652.db2.gz ZKGOUARFQAFESA-CYBMUJFWSA-N 0 0 304.390 0.957 10 0 DCAERN CC[C@@](COC)(NC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)OC ZINC000457259517 417699340 /nfs/dbraw/zinc/69/93/40/417699340.db2.gz FSZWHBSRLIQCHG-AWEZNQCLSA-N 0 0 312.322 0.499 10 0 DCAERN CN(Cc1nnnn1C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000532068603 417656250 /nfs/dbraw/zinc/65/62/50/417656250.db2.gz WGIMHVGFQXPXJP-NSHDSACASA-N 0 0 314.349 0.222 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](C)OC[C@H]2CCCO2)C1 ZINC000532120280 417659723 /nfs/dbraw/zinc/65/97/23/417659723.db2.gz FWSPYSFFNQNYQD-FRRDWIJNSA-N 0 0 313.398 0.491 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)C1 ZINC000456662452 417661337 /nfs/dbraw/zinc/66/13/37/417661337.db2.gz SUFFCIZKKLKRFQ-JTQLQIEISA-N 0 0 321.343 0.807 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCC(CCO)CC2)C1 ZINC000532387978 417676638 /nfs/dbraw/zinc/67/66/38/417676638.db2.gz AGXIDMXWWHTBMG-ZDUSSCGKSA-N 0 0 312.414 0.594 10 0 DCAERN CCNC(=O)C(C)(C)NC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000457302244 417702860 /nfs/dbraw/zinc/70/28/60/417702860.db2.gz QJBVFTOGJJOZSB-UHFFFAOYSA-N 0 0 315.377 0.976 10 0 DCAERN CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1COCCC1=O ZINC000628888327 417713920 /nfs/dbraw/zinc/71/39/20/417713920.db2.gz WSXOPYGCADWHKJ-OAHLLOKOSA-N 0 0 318.373 0.552 10 0 DCAERN CC(=O)c1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)on1 ZINC000580583398 417715016 /nfs/dbraw/zinc/71/50/16/417715016.db2.gz XQTWYADFFQOETN-CYBMUJFWSA-N 0 0 321.377 0.948 10 0 DCAERN Cc1c(Cl)cccc1OCC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458125411 417722825 /nfs/dbraw/zinc/72/28/25/417722825.db2.gz BBARLGRWKLTYMZ-NSHDSACASA-N 0 0 324.768 0.796 10 0 DCAERN C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458123877 417723284 /nfs/dbraw/zinc/72/32/84/417723284.db2.gz AEBACCFIRUUVHO-ZYHUDNBSSA-N 0 0 308.313 0.362 10 0 DCAERN CC(C)Oc1ccccc1C(=O)NC[C@H](O)Cn1ccnn1 ZINC000458139670 417726006 /nfs/dbraw/zinc/72/60/06/417726006.db2.gz MYOLGLGHLXBMAA-LBPRGKRZSA-N 0 0 304.350 0.856 10 0 DCAERN CC(=O)N1CC(C(=O)NCc2ccc3oc(=O)n(C)c3c2)C1 ZINC000629058546 417740516 /nfs/dbraw/zinc/74/05/16/417740516.db2.gz KFECPXHUEYNKBB-UHFFFAOYSA-N 0 0 303.318 0.226 10 0 DCAERN c1c(CNc2nc3n(n2)CCCC3)nnn1C[C@H]1CCOC1 ZINC000630954586 417828051 /nfs/dbraw/zinc/82/80/51/417828051.db2.gz MIJYWSSUUGEDJG-LLVKDONJSA-N 0 0 303.370 0.855 10 0 DCAERN O[C@@H]1CN(c2ncccc2Br)C[C@H]1n1ccnn1 ZINC000631395103 417871168 /nfs/dbraw/zinc/87/11/68/417871168.db2.gz MPTBRCKNTGBUNY-NXEZZACHSA-N 0 0 310.155 0.858 10 0 DCAERN Cn1ncc(NCC[C@@H](O)C(F)F)c(Br)c1=O ZINC000631461658 417884411 /nfs/dbraw/zinc/88/44/11/417884411.db2.gz HUHWTMIVKNFLBT-ZCFIWIBFSA-N 0 0 312.114 0.971 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2C[C@H](F)C[C@@H]2CO)CC1 ZINC000444549478 287427526 /nfs/dbraw/zinc/42/75/26/287427526.db2.gz MGTUCEWUNBYOIZ-VXGBXAGGSA-N 0 0 301.362 0.311 10 0 DCAERN COc1ncc(Cl)c(N[C@H]2CS(=O)(=O)C[C@H]2OC)n1 ZINC000664267897 418107024 /nfs/dbraw/zinc/10/70/24/418107024.db2.gz FYCSDXUFWNTVJV-JGVFFNPUSA-N 0 0 307.759 0.363 10 0 DCAERN CN1C[C@@H](CNc2cnn(C)c(=O)c2Br)CC1=O ZINC000664463673 418127572 /nfs/dbraw/zinc/12/75/72/418127572.db2.gz WVPBUBITZJFJDZ-SSDOTTSWSA-N 0 0 315.171 0.433 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000660012563 418217535 /nfs/dbraw/zinc/21/75/35/418217535.db2.gz MPRVUTJXDWSPKQ-FQUUOJAGSA-N 0 0 303.424 0.425 10 0 DCAERN COc1ccc2c(c1)[nH]cc(C(=O)N[C@H]1CNC(=O)C1)c2=O ZINC000450455412 287451335 /nfs/dbraw/zinc/45/13/35/287451335.db2.gz UXAAPBAHRLPULK-MRVPVSSYSA-N 0 0 301.302 0.155 10 0 DCAERN CCN1CN(C(=O)NCCNC(=O)c2ccc(C)cc2)CC1=O ZINC000189870546 335080471 /nfs/dbraw/zinc/08/04/71/335080471.db2.gz NLXPMGKEKAUMDN-UHFFFAOYSA-N 0 0 318.377 0.556 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccccc1F ZINC000487127337 287532385 /nfs/dbraw/zinc/53/23/85/287532385.db2.gz ADJRSTAAQAPPPB-QWRGUYRKSA-N 0 0 324.352 0.941 10 0 DCAERN C[C@H](C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)n1cncn1 ZINC000487736464 287540332 /nfs/dbraw/zinc/54/03/32/287540332.db2.gz GHQYPSAPDXMMNB-VXNVDRBHSA-N 0 0 302.260 0.992 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)on1 ZINC000488281980 287548221 /nfs/dbraw/zinc/54/82/21/287548221.db2.gz JOJOOKPIKXIDFU-IUCAKERBSA-N 0 0 323.349 0.738 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CC[C@H](C)OC ZINC000488289168 287548424 /nfs/dbraw/zinc/54/84/24/287548424.db2.gz FQPALCYHNHPFST-DCAQKATOSA-N 0 0 302.371 0.374 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000489527647 287555044 /nfs/dbraw/zinc/55/50/44/287555044.db2.gz HKKPFDKJJRYQIS-VIFPVBQESA-N 0 0 302.334 0.924 10 0 DCAERN O=C(N[C@H]1CCCC[C@H]1O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000227245728 545944917 /nfs/dbraw/zinc/94/49/17/545944917.db2.gz TYQUEQQFXXXXDA-LPEHRKFASA-N 0 0 308.300 0.817 10 0 DCAERN NC(=O)c1ncn([C@H]2CCCN(c3nc(C4CC4)ns3)C2)n1 ZINC000299739399 229371310 /nfs/dbraw/zinc/37/13/10/229371310.db2.gz NYVSHJDBYIWCGY-VIFPVBQESA-N 0 0 319.394 0.947 10 0 DCAERN NC(=O)[C@@H]1CN(CC(=O)NCc2ccco2)C[C@H]1C(F)(F)F ZINC000299740514 229375222 /nfs/dbraw/zinc/37/52/22/229375222.db2.gz BGIHQKBABWVEDK-NXEZZACHSA-N 0 0 319.283 0.491 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299745430 229387707 /nfs/dbraw/zinc/38/77/07/229387707.db2.gz ZATJVWSYXQPOSD-VXGBXAGGSA-N 0 0 306.366 0.153 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000299754334 229397848 /nfs/dbraw/zinc/39/78/48/229397848.db2.gz UZOYHFPTWQAEPR-CMPLNLGQSA-N 0 0 303.384 0.158 10 0 DCAERN NC(=O)[C@@H]1COCCN1c1nccc(OCc2ccccc2)n1 ZINC000302147398 230124173 /nfs/dbraw/zinc/12/41/73/230124173.db2.gz LEGLMNCRZTWWJQ-ZDUSSCGKSA-N 0 0 314.345 0.746 10 0 DCAERN COCCN(C(=O)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067510331 261106088 /nfs/dbraw/zinc/10/60/88/261106088.db2.gz UFMGYPWIPZGXSB-CQSZACIVSA-N 0 0 311.403 0.891 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)NCc2cccnc2)cc1 ZINC000053249827 261106095 /nfs/dbraw/zinc/10/60/95/261106095.db2.gz QULIKSRYNHHRNQ-UHFFFAOYSA-N 0 0 320.374 0.728 10 0 DCAERN CC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000052894192 261106461 /nfs/dbraw/zinc/10/64/61/261106461.db2.gz DIPOVYAWVYJWES-LBPRGKRZSA-N 0 0 313.398 0.886 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCOC3)CC2)n1 ZINC000179171560 261111754 /nfs/dbraw/zinc/11/17/54/261111754.db2.gz APOXZKIYZOTWSC-ZYHUDNBSSA-N 0 0 309.370 0.555 10 0 DCAERN CCc1cc(NC(=O)C(=O)NCC(=O)NC2CC2)ccc1C ZINC000180482919 261113625 /nfs/dbraw/zinc/11/36/25/261113625.db2.gz AOZNUARUUHPVPW-UHFFFAOYSA-N 0 0 303.362 0.891 10 0 DCAERN CC(C)[C@@H](CO)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000182622789 261116763 /nfs/dbraw/zinc/11/67/63/261116763.db2.gz RMHWCFVPRBYLNA-QGZVFWFLSA-N 0 0 319.449 0.937 10 0 DCAERN CCC1(CC)CN(C(=O)[C@@H]2CN(C)CCO2)CC[S@@]1=O ZINC000183850621 261117574 /nfs/dbraw/zinc/11/75/74/261117574.db2.gz ABYIHVILFWIBNC-YUNKPMOVSA-N 0 0 302.440 0.467 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CCO)c2ccco2)C[C@@H](C)O1 ZINC000184278826 261118402 /nfs/dbraw/zinc/11/84/02/261118402.db2.gz LUIVCOWDDLEJKL-UTUOFQBUSA-N 0 0 318.395 0.647 10 0 DCAERN CCC1(CC)CN(CCC(=O)NCC(=O)OC)CC[S@@]1=O ZINC000185238630 261119172 /nfs/dbraw/zinc/11/91/72/261119172.db2.gz YHTIXICEUJZQMS-NRFANRHFSA-N 0 0 318.439 0.289 10 0 DCAERN CCC1(CC)CN(CCC(=O)N2CCOCC2)CC[S@@]1=O ZINC000185268927 261119925 /nfs/dbraw/zinc/11/99/25/261119925.db2.gz GLFWGIZVBCFUGJ-NRFANRHFSA-N 0 0 316.467 0.858 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)NCc1cccnc1N(C)C ZINC000186187782 261121390 /nfs/dbraw/zinc/12/13/90/261121390.db2.gz NYZXGKBUVXNPFD-NSHDSACASA-N 0 0 305.382 0.520 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)NCC(=O)NCC(F)(F)F)O1 ZINC000186361538 261121531 /nfs/dbraw/zinc/12/15/31/261121531.db2.gz KRYYXEXNNWXLPV-QMMMGPOBSA-N 0 0 311.304 0.922 10 0 DCAERN CC(C)CN1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1=O ZINC000186788888 261121974 /nfs/dbraw/zinc/12/19/74/261121974.db2.gz WUCVBUAGPKTJQA-GFCCVEGCSA-N 0 0 310.398 0.117 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187380319 261123599 /nfs/dbraw/zinc/12/35/99/261123599.db2.gz XZWQAJUURLDBEG-CYBMUJFWSA-N 0 0 321.425 0.842 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CCN(C)C(=O)[C@H]3C)cnc12 ZINC000188572174 261128346 /nfs/dbraw/zinc/12/83/46/261128346.db2.gz KKENPVHXEAHCHF-LLVKDONJSA-N 0 0 314.345 0.306 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)NCC2(CCO)CC2)c1 ZINC000188940301 261130308 /nfs/dbraw/zinc/13/03/08/261130308.db2.gz IHXNHSWPIFZLKR-UHFFFAOYSA-N 0 0 301.412 0.980 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000189879134 261133523 /nfs/dbraw/zinc/13/35/23/261133523.db2.gz OBTAZHCKILIHIC-DLOVCJGASA-N 0 0 309.370 0.213 10 0 DCAERN CSCCCCNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191717660 261137163 /nfs/dbraw/zinc/13/71/63/261137163.db2.gz LWIHWMAGFJVQOY-UHFFFAOYSA-N 0 0 322.434 0.891 10 0 DCAERN CC(=O)NC1CN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000191731994 261138010 /nfs/dbraw/zinc/13/80/10/261138010.db2.gz JSOFCYVHHPXWIC-OAHLLOKOSA-N 0 0 306.362 0.449 10 0 DCAERN CCOCCN1CCN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C ZINC000194725099 261147984 /nfs/dbraw/zinc/14/79/84/261147984.db2.gz WIBNWPFLZDROAK-OAHLLOKOSA-N 0 0 321.421 0.726 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCN(c2cccnn2)CC1 ZINC000195055847 261150913 /nfs/dbraw/zinc/15/09/13/261150913.db2.gz YZSKIVCRASKSBL-CYBMUJFWSA-N 0 0 308.382 0.567 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000221910091 261152167 /nfs/dbraw/zinc/15/21/67/261152167.db2.gz JEFJOLQAZPZREK-YPMHNXCESA-N 0 0 318.439 0.277 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000226466877 261152969 /nfs/dbraw/zinc/15/29/69/261152969.db2.gz HRRARWQYSZOKLJ-JHJVBQTASA-N 0 0 318.439 0.420 10 0 DCAERN O=C(NCCCOCCO)NCCCc1nnc2ccccn21 ZINC000357125154 261506353 /nfs/dbraw/zinc/50/63/53/261506353.db2.gz HJXLTCHTMJFWMV-UHFFFAOYSA-N 0 0 321.381 0.360 10 0 DCAERN COCCN(C(=O)N[C@H](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000357524876 261551041 /nfs/dbraw/zinc/55/10/41/261551041.db2.gz VPXCJMVILHSHCN-ZYHUDNBSSA-N 0 0 304.412 0.630 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@H](C)C1 ZINC000357635310 261564288 /nfs/dbraw/zinc/56/42/88/261564288.db2.gz DTNURZPIIZEPFZ-LLVKDONJSA-N 0 0 312.414 0.411 10 0 DCAERN NC(=O)N1CC[C@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000358032128 261617209 /nfs/dbraw/zinc/61/72/09/261617209.db2.gz URXHBGRHODEAQU-ZDUSSCGKSA-N 0 0 301.346 0.627 10 0 DCAERN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(CO)C1 ZINC000358095767 261629573 /nfs/dbraw/zinc/62/95/73/261629573.db2.gz KOTBYXNQGXTTNN-UHFFFAOYSA-N 0 0 324.402 0.535 10 0 DCAERN CS(=O)(=O)c1ccc(NC(=O)N2CC(n3ccnn3)C2)cc1 ZINC000358150431 261640521 /nfs/dbraw/zinc/64/05/21/261640521.db2.gz AEZGBHLNXQQONX-UHFFFAOYSA-N 0 0 321.362 0.770 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H](C)CC(C)(C)OC)C1 ZINC000358807429 261701070 /nfs/dbraw/zinc/70/10/70/261701070.db2.gz ZKXSCSDLXWYKDV-IJLUTSLNSA-N 0 0 300.399 0.990 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000359480363 261749253 /nfs/dbraw/zinc/74/92/53/261749253.db2.gz JZUAWGWMSBTLIG-WPRPVWTQSA-N 0 0 307.354 0.710 10 0 DCAERN CN1CCC[C@H](NC(=O)NCc2nnc3ccccn32)C1=O ZINC000360377806 261827398 /nfs/dbraw/zinc/82/73/98/261827398.db2.gz NXDYIQBIKKHWNB-JTQLQIEISA-N 0 0 302.338 0.149 10 0 DCAERN C[C@H]1OCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000362397196 262029418 /nfs/dbraw/zinc/02/94/18/262029418.db2.gz RBNLEVITXAJUPV-MNOVXSKESA-N 0 0 309.366 0.535 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000362730287 262066205 /nfs/dbraw/zinc/06/62/05/262066205.db2.gz GQHYYONFBNTNOI-ADEWGFFLSA-N 0 0 302.396 0.382 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)N2CCc3ccccc32)C1 ZINC000362782948 262072108 /nfs/dbraw/zinc/07/21/08/262072108.db2.gz YBYWFLPVLQDSCY-LBPRGKRZSA-N 0 0 309.391 0.793 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)NCCc2c(C)nn(C)c2C)C1 ZINC000363043086 262096016 /nfs/dbraw/zinc/09/60/16/262096016.db2.gz VMPMVSHQNOFXFB-MRXNPFEDSA-N 0 0 306.410 0.954 10 0 DCAERN COCC(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363661837 262125437 /nfs/dbraw/zinc/12/54/37/262125437.db2.gz TVRVPVKMQVYANY-LBPRGKRZSA-N 0 0 312.391 0.602 10 0 DCAERN O=Cc1ccc(OCC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000363859378 262135248 /nfs/dbraw/zinc/13/52/48/262135248.db2.gz FVNSSQUCLPRGAK-CQSZACIVSA-N 0 0 304.346 0.421 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000363975402 262137481 /nfs/dbraw/zinc/13/74/81/262137481.db2.gz QDQYGBJOEAUOFJ-WCQYABFASA-N 0 0 307.398 0.516 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 ZINC000412931795 262196894 /nfs/dbraw/zinc/19/68/94/262196894.db2.gz UOGMDIIXMKMRHP-DOMZBBRYSA-N 0 0 307.346 0.876 10 0 DCAERN C[C@@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1)C(=O)N(C)C ZINC000046827122 270940760 /nfs/dbraw/zinc/94/07/60/270940760.db2.gz IFYNBRZETCWYQB-WDEREUQCSA-N 0 0 306.366 0.790 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)NC[C@@H](CO)C1CC1 ZINC000358318986 271049742 /nfs/dbraw/zinc/04/97/42/271049742.db2.gz NCKLERKCNDPWKP-LBPRGKRZSA-N 0 0 316.361 0.316 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NC[C@@H](CO)C1CC1 ZINC000358883029 271079078 /nfs/dbraw/zinc/07/90/78/271079078.db2.gz MBQIOVMHEVKOQD-ZDUSSCGKSA-N 0 0 317.393 0.980 10 0 DCAERN CN(C)c1noc(CNC(=O)Nc2ccc(N(C)C)nc2)n1 ZINC000359007798 271087658 /nfs/dbraw/zinc/08/76/58/271087658.db2.gz GOGAHCOMXJYLAZ-UHFFFAOYSA-N 0 0 305.342 0.918 10 0 DCAERN O=C(NCCc1cn2c(n1)SCC2)NC[C@H](CO)C1CC1 ZINC000359157193 271099831 /nfs/dbraw/zinc/09/98/31/271099831.db2.gz JTDSBLCHNNHUTC-LLVKDONJSA-N 0 0 310.423 0.849 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)c2ccc(C(N)=O)cn2)no1 ZINC000359498031 271122095 /nfs/dbraw/zinc/12/20/95/271122095.db2.gz WAIDJBKVKNKLCZ-QMMMGPOBSA-N 0 0 319.321 0.591 10 0 DCAERN NC(=O)N[C@@H](CC(=O)NC[C@H](CO)C1CC1)c1cccs1 ZINC000359772347 271142361 /nfs/dbraw/zinc/14/23/61/271142361.db2.gz FQYGRXNNEMCQAA-MNOVXSKESA-N 0 0 311.407 0.982 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nnc2n1CCCCC2 ZINC000360942664 271167955 /nfs/dbraw/zinc/16/79/55/271167955.db2.gz RYIMOYKQEHNWCF-NSHDSACASA-N 0 0 323.422 0.542 10 0 DCAERN COCCOCCNC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000361054777 271174296 /nfs/dbraw/zinc/17/42/96/271174296.db2.gz QVCUXUZJEKHLBB-LLVKDONJSA-N 0 0 314.304 0.748 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)NCCCCF)CC1 ZINC000361465807 271181696 /nfs/dbraw/zinc/18/16/96/271181696.db2.gz XIPNIYCWZKLUGU-UHFFFAOYSA-N 0 0 316.377 0.116 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000399062631 271218357 /nfs/dbraw/zinc/21/83/57/271218357.db2.gz JNMBGDJQZAXEGH-AEJSXWLSSA-N 0 0 319.814 0.855 10 0 DCAERN Cn1cc(-c2n[nH]cc2C(=O)NCc2nnc3ccccn32)cn1 ZINC000435816515 271577824 /nfs/dbraw/zinc/57/78/24/271577824.db2.gz HFIDNDCFXMNKTO-UHFFFAOYSA-N 0 0 322.332 0.783 10 0 DCAERN COC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(F)cc1 ZINC000437386636 271620229 /nfs/dbraw/zinc/62/02/29/271620229.db2.gz NULZULVTAHFCDL-GFCCVEGCSA-N 0 0 321.308 0.592 10 0 DCAERN CCO[C@@H]1C[C@](NCCCS(C)(=O)=O)(C(=O)OC)C1(C)C ZINC000444765124 271742577 /nfs/dbraw/zinc/74/25/77/271742577.db2.gz YHNFPCGYNJFZQF-RISCZKNCSA-N 0 0 321.439 0.758 10 0 DCAERN COc1ccccc1CNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000447899839 271805326 /nfs/dbraw/zinc/80/53/26/271805326.db2.gz XGRIDGZWLAQJNL-KRWDZBQOSA-N 0 0 316.357 0.924 10 0 DCAERN O=S(=O)(CC1CC(F)(F)C1)N1CCN2CCOC[C@H]2C1 ZINC000451400161 271898605 /nfs/dbraw/zinc/89/86/05/271898605.db2.gz YEMZADRDOXCOMW-LLVKDONJSA-N 0 0 310.366 0.378 10 0 DCAERN CS[C@@H](C(=O)NC[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000458125539 271942728 /nfs/dbraw/zinc/94/27/28/271942728.db2.gz BNAJCUOZKOJSKV-QWHCGFSZSA-N 0 0 306.391 0.860 10 0 DCAERN Cc1ccc(C)c(OCCC(=O)NC[C@H](O)Cn2ccnn2)c1 ZINC000458131785 271943770 /nfs/dbraw/zinc/94/37/70/271943770.db2.gz RHOQWFHRDZDTGC-AWEZNQCLSA-N 0 0 318.377 0.841 10 0 DCAERN COc1cc(C)ccc1CNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458561811 271962822 /nfs/dbraw/zinc/96/28/22/271962822.db2.gz RIPKYXPLQRLBAN-ZDUSSCGKSA-N 0 0 319.365 0.455 10 0 DCAERN CCOc1ncccc1NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000459344446 271992608 /nfs/dbraw/zinc/99/26/08/271992608.db2.gz RKOKBFUHERFMTP-SNVBAGLBSA-N 0 0 306.326 0.254 10 0 DCAERN COC(=O)[C@H](c1c(F)cccc1Cl)N1C[C@H](O)[C@H](CO)C1 ZINC000459681646 272002695 /nfs/dbraw/zinc/00/26/95/272002695.db2.gz QWCUTOVFJVTRMK-QWRKXWFKSA-N 0 0 317.744 0.978 10 0 DCAERN CC(C)N(Cc1ccccc1)C(=O)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000459789269 272008825 /nfs/dbraw/zinc/00/88/25/272008825.db2.gz UBWLYUGIUUDGNY-ZDUSSCGKSA-N 0 0 317.389 0.771 10 0 DCAERN CCCCN(CC)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459825401 272013391 /nfs/dbraw/zinc/01/33/91/272013391.db2.gz DKSPEJAESIKAEX-MRXNPFEDSA-N 0 0 309.410 0.764 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cncc(F)c1 ZINC000487111283 272038026 /nfs/dbraw/zinc/03/80/26/272038026.db2.gz CDHSJAHVHQXWLL-RKDXNWHRSA-N 0 0 311.313 0.407 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1CC(F)(F)C1 ZINC000487108539 272038095 /nfs/dbraw/zinc/03/80/95/272038095.db2.gz GELWRAMRNFQKEH-SFYZADRCSA-N 0 0 306.309 0.604 10 0 DCAERN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCOCC(C)C ZINC000488844423 272052401 /nfs/dbraw/zinc/05/24/01/272052401.db2.gz XEPNSQJOPYQBKT-LBPRGKRZSA-N 0 0 306.428 0.589 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)NC[C@H](CO)c1ccccc1 ZINC000489212450 272058796 /nfs/dbraw/zinc/05/87/96/272058796.db2.gz YYKZYBBGQJDRBF-GOEBONIOSA-N 0 0 321.421 0.782 10 0 DCAERN O=C(CNC(=O)NCCCc1nnc2ccccn21)NC1CC1 ZINC000489482996 272062533 /nfs/dbraw/zinc/06/25/33/272062533.db2.gz DQWVPVZXXCXDRF-UHFFFAOYSA-N 0 0 316.365 0.240 10 0 DCAERN O=C(NCCCc1nnc2ccccn21)NCCn1ccnc1 ZINC000489466659 272063155 /nfs/dbraw/zinc/06/31/55/272063155.db2.gz RJIMVYLORJXQCR-UHFFFAOYSA-N 0 0 313.365 0.858 10 0 DCAERN CCN1CCN(S(=O)(=O)N2CCC[C@H]2C)C(C)(C)C1=O ZINC000494339457 272219365 /nfs/dbraw/zinc/21/93/65/272219365.db2.gz OOHMLEXIYCMLBP-LLVKDONJSA-N 0 0 303.428 0.658 10 0 DCAERN COC(=O)C(C)(C)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000494427632 272221771 /nfs/dbraw/zinc/22/17/71/272221771.db2.gz UHBYGRWDXFSVAH-CQSZACIVSA-N 0 0 319.405 0.782 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](C)CC1CC1 ZINC000495197432 272240906 /nfs/dbraw/zinc/24/09/06/272240906.db2.gz XRPZOFMWOMMTNG-VWYCJHECSA-N 0 0 313.398 0.931 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CC1(C)C ZINC000495249821 272242850 /nfs/dbraw/zinc/24/28/50/272242850.db2.gz HTKWVYACJMIHHH-DCAQKATOSA-N 0 0 313.398 0.788 10 0 DCAERN COc1ccc2c(c1)OC[C@@H](NC(=O)COc1cnn(C)c1)C2 ZINC000516854611 272446517 /nfs/dbraw/zinc/44/65/17/272446517.db2.gz OIDDVSRYLSMLFN-LBPRGKRZSA-N 0 0 317.345 0.927 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)NCC(=O)N1CCCC1)C2 ZINC000523003807 272554377 /nfs/dbraw/zinc/55/43/77/272554377.db2.gz GUQBOUOEVJWHDD-UHFFFAOYSA-N 0 0 320.397 0.549 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)N2[C@@H](C)C[C@@H]2C)CC1 ZINC000525921003 272583297 /nfs/dbraw/zinc/58/32/97/272583297.db2.gz RBNUKEVSASOHQY-RYUDHWBXSA-N 0 0 310.398 0.260 10 0 DCAERN C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000531784858 272769245 /nfs/dbraw/zinc/76/92/45/272769245.db2.gz YJEMBDYPDPURLP-LBPRGKRZSA-N 0 0 320.393 0.898 10 0 DCAERN CN(CC(=O)N1CCc2sccc2C1)Cc1nnnn1C ZINC000532326362 272784940 /nfs/dbraw/zinc/78/49/40/272784940.db2.gz NYNWTRYLQDTKAD-UHFFFAOYSA-N 0 0 306.395 0.288 10 0 DCAERN COC[C@](C)(O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000531021051 287765333 /nfs/dbraw/zinc/76/53/33/287765333.db2.gz VBLVCPIFZQUCHP-INIZCTEOSA-N 0 0 324.377 0.706 10 0 DCAERN CC(=O)N1CC(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)C1 ZINC000364964460 275758637 /nfs/dbraw/zinc/75/86/37/275758637.db2.gz XWFIILVDYFBSPX-ZDUSSCGKSA-N 0 0 301.346 0.471 10 0 DCAERN CC(=O)NCCCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175824635 275781202 /nfs/dbraw/zinc/78/12/02/275781202.db2.gz CZOCPUIYNYTSDD-AWEZNQCLSA-N 0 0 307.398 0.892 10 0 DCAERN CCN1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)C2)C1 ZINC000177800040 276374649 /nfs/dbraw/zinc/37/46/49/276374649.db2.gz VJLNNCMAFXXQBJ-NEPJUHHUSA-N 0 0 303.428 0.299 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)CNC(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000119980382 276877464 /nfs/dbraw/zinc/87/74/64/276877464.db2.gz LHAFGACOIXKYDM-MFKMUULPSA-N 0 0 324.768 0.396 10 0 DCAERN CC(C)(C(=O)N[C@@H]1CCN(C2CCCC2)C1)S(C)(=O)=O ZINC000408149980 277125263 /nfs/dbraw/zinc/12/52/63/277125263.db2.gz NVPTYHMOEHRTJK-LLVKDONJSA-N 0 0 302.440 0.943 10 0 DCAERN Cn1ccc(CNC(=O)NCc2ccc3c(c2)C(=O)NCC3)n1 ZINC000542557011 287941554 /nfs/dbraw/zinc/94/15/54/287941554.db2.gz QJEMNQUKBBFSKN-UHFFFAOYSA-N 0 0 313.361 0.705 10 0 DCAERN CNC(=O)[C@@H](NC(=O)Nc1cccnc1-n1cncn1)C(C)C ZINC000178934275 277240474 /nfs/dbraw/zinc/24/04/74/277240474.db2.gz ADHGUEUUDMVKRM-NSHDSACASA-N 0 0 317.353 0.554 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1=O ZINC000180407153 277291080 /nfs/dbraw/zinc/29/10/80/277291080.db2.gz JNWAPCHUUGUHBP-STQMWFEESA-N 0 0 322.409 0.970 10 0 DCAERN O=C(N[C@H]1CNC(=O)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000544538094 287976541 /nfs/dbraw/zinc/97/65/41/287976541.db2.gz DFMOHYDCRJWHSK-CHWSQXEVSA-N 0 0 317.345 0.422 10 0 DCAERN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cn2cccnc2n1 ZINC000545203334 287988400 /nfs/dbraw/zinc/98/84/00/287988400.db2.gz MOVSFSISRXKSCF-ZETCQYMHSA-N 0 0 316.239 0.953 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cn1 ZINC000440570691 277910024 /nfs/dbraw/zinc/91/00/24/277910024.db2.gz JMIJNNWKNJKTJQ-SNVBAGLBSA-N 0 0 320.349 0.108 10 0 DCAERN CCOC(=O)c1cc(NS(=O)(=O)N2CCC[C@@H]2C)[nH]n1 ZINC000545313759 287995574 /nfs/dbraw/zinc/99/55/74/287995574.db2.gz GLMPSUUCLYQMFC-QMMMGPOBSA-N 0 0 302.356 0.727 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC3(C2)CCOCC3)C1 ZINC000408051561 278031087 /nfs/dbraw/zinc/03/10/87/278031087.db2.gz IEDZHLMWRFKVDB-MRXNPFEDSA-N 0 0 310.394 0.389 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)NC1(CCO)CCCCC1 ZINC000545952962 288007673 /nfs/dbraw/zinc/00/76/73/288007673.db2.gz ANEPPJGOONOBPV-UHFFFAOYSA-N 0 0 318.439 0.614 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)CC(=O)N1C ZINC000282519411 288020802 /nfs/dbraw/zinc/02/08/02/288020802.db2.gz YTDAGLJZIHHUHM-MRVPVSSYSA-N 0 0 301.306 0.033 10 0 DCAERN CC(C)(C)NC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000134756717 278362158 /nfs/dbraw/zinc/36/21/58/278362158.db2.gz JASJZMLAYGRKPL-LLVKDONJSA-N 0 0 303.428 0.994 10 0 DCAERN C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)c2c(O)cccc21 ZINC000274343285 278531367 /nfs/dbraw/zinc/53/13/67/278531367.db2.gz FGWTXGWNRZMLME-SCZZXKLOSA-N 0 0 303.318 0.831 10 0 DCAERN C[C@@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CC(=O)N1 ZINC000408461600 278642676 /nfs/dbraw/zinc/64/26/76/278642676.db2.gz ATLHGYMVSOWTFD-SNVBAGLBSA-N 0 0 319.386 0.472 10 0 DCAERN CCOc1nccnc1N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000547636595 288064117 /nfs/dbraw/zinc/06/41/17/288064117.db2.gz GTUHUJIMAHTQMW-UHFFFAOYSA-N 0 0 308.382 0.949 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC000547657497 288066158 /nfs/dbraw/zinc/06/61/58/288066158.db2.gz GGISIFQYLDRJEG-GFCCVEGCSA-N 0 0 322.409 0.619 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000547657749 288066187 /nfs/dbraw/zinc/06/61/87/288066187.db2.gz TVGZKMLQLPPOAI-ZDUSSCGKSA-N 0 0 324.421 0.899 10 0 DCAERN Cc1nc(C)c(NC(=O)N[C@H]2CCCN(CCO)C2=O)s1 ZINC000547775690 288077594 /nfs/dbraw/zinc/07/75/94/288077594.db2.gz LUTMHNYSMGFAKU-JTQLQIEISA-N 0 0 312.395 0.865 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CC[S@](=O)CC[C@H]1C ZINC000408396280 278911277 /nfs/dbraw/zinc/91/12/77/278911277.db2.gz STHGVEOGMSXZGR-BIBXISHDSA-N 0 0 303.428 0.311 10 0 DCAERN Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000547944408 288094666 /nfs/dbraw/zinc/09/46/66/288094666.db2.gz IZSLCUHKDPYGPA-LBPRGKRZSA-N 0 0 306.366 0.613 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@@H](C)S1 ZINC000548061398 288107615 /nfs/dbraw/zinc/10/76/15/288107615.db2.gz RVNPGDBTULGHFN-LALPHHSUSA-N 0 0 310.419 0.952 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)N[C@H]2CCO[C@H]2C2CC2)CC1 ZINC000332860009 288108802 /nfs/dbraw/zinc/10/88/02/288108802.db2.gz KBMVFKDLWHUYRD-KKUMJFAQSA-N 0 0 311.426 0.652 10 0 DCAERN CCN1CCN([C@@H]2CCN(C3CC3)C2=O)C[C@@H]1c1ncc[nH]1 ZINC000329964554 279368923 /nfs/dbraw/zinc/36/89/23/279368923.db2.gz UNKXGWMOCDMSRX-ZIAGYGMSSA-N 0 0 303.410 0.852 10 0 DCAERN C[C@H]1CN(C(=O)Nc2cccn(C)c2=O)C[C@H]1N1CCOCC1 ZINC000177867528 279804158 /nfs/dbraw/zinc/80/41/58/279804158.db2.gz TYNGAHAFRIMBPV-GXTWGEPZSA-N 0 0 320.393 0.570 10 0 DCAERN C[C@H](O)CN(Cc1ccccc1)C(=O)CN1CCOCC1=O ZINC000548716938 288170171 /nfs/dbraw/zinc/17/01/71/288170171.db2.gz MQFYVDGPYDFDGC-ZDUSSCGKSA-N 0 0 306.362 0.255 10 0 DCAERN C[C@@H](O)CN(Cc1ccccc1)C(=O)CN1CCOCC1=O ZINC000548716937 288170324 /nfs/dbraw/zinc/17/03/24/288170324.db2.gz MQFYVDGPYDFDGC-CYBMUJFWSA-N 0 0 306.362 0.255 10 0 DCAERN CN(C)C(=O)C1(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000548741751 288172608 /nfs/dbraw/zinc/17/26/08/288172608.db2.gz UIHFKTYTHPOZJZ-UHFFFAOYSA-N 0 0 316.361 0.684 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@H]2CCCS(=O)(=O)C2)C1=O ZINC000548779497 288176041 /nfs/dbraw/zinc/17/60/41/288176041.db2.gz CMHXIGTYKWGYJR-UZAOFVRNSA-N 0 0 300.380 0.698 10 0 DCAERN Cn1cc(OCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cn1 ZINC000548799129 288177202 /nfs/dbraw/zinc/17/72/02/288177202.db2.gz DOWVGJIVJHUQBI-HNNXBMFYSA-N 0 0 314.345 0.499 10 0 DCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000408393511 280087111 /nfs/dbraw/zinc/08/71/11/280087111.db2.gz MXNWFJHKAKVRPM-RYUDHWBXSA-N 0 0 323.393 0.590 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)N1CCCC1=O ZINC000328889054 280157664 /nfs/dbraw/zinc/15/76/64/280157664.db2.gz QNOMTPNKYNFMDE-IJEWVQPXSA-N 0 0 323.437 0.565 10 0 DCAERN CN(CC1CC1)C(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000550118825 288210984 /nfs/dbraw/zinc/21/09/84/288210984.db2.gz WUJFSPYIBSQKTF-UHFFFAOYSA-N 0 0 304.346 0.942 10 0 DCAERN Cn1cc(OCC(=O)Nc2ccc3c(c2F)CCNC3=O)cn1 ZINC000551374109 288227797 /nfs/dbraw/zinc/22/77/97/288227797.db2.gz KDLZKOVFPVHQSZ-UHFFFAOYSA-N 0 0 318.308 0.863 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)C1 ZINC000551985246 288255182 /nfs/dbraw/zinc/25/51/82/288255182.db2.gz DAZYNXOGQCYREZ-UPJWGTAASA-N 0 0 323.397 0.944 10 0 DCAERN O=C(NC1(c2nnn[n-]2)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000552492598 288276387 /nfs/dbraw/zinc/27/63/87/288276387.db2.gz RQKFIJLNRCQMGU-SNVBAGLBSA-N 0 0 307.741 0.735 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCCO1 ZINC000552742379 288279890 /nfs/dbraw/zinc/27/98/90/288279890.db2.gz PIDQEDBPCZMUEP-LLVKDONJSA-N 0 0 302.334 0.910 10 0 DCAERN CC1(C)CN(C(=O)C2(S(C)(=O)=O)CC2)C[C@@]2(CCOC2)O1 ZINC000373628430 281155193 /nfs/dbraw/zinc/15/51/93/281155193.db2.gz KRCUIRTWILJIPC-CYBMUJFWSA-N 0 0 317.407 0.360 10 0 DCAERN Cc1cc(CCNC(=O)C(C)(C)S(=O)(=O)C2CC2)on1 ZINC000553564579 288302845 /nfs/dbraw/zinc/30/28/45/288302845.db2.gz XNEBMPBPILSLMR-UHFFFAOYSA-N 0 0 300.380 0.998 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000158314212 281221418 /nfs/dbraw/zinc/22/14/18/281221418.db2.gz OIEQSUMZSJVQND-JTQLQIEISA-N 0 0 307.325 0.810 10 0 DCAERN CC[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H](C)S1(=O)=O ZINC000553797184 288307604 /nfs/dbraw/zinc/30/76/04/288307604.db2.gz CSNFLOZKYMPMBI-CMPLNLGQSA-N 0 0 315.395 0.223 10 0 DCAERN CC1(C)CN(S(=O)(=O)N2CC3(C2)CCCOC3)CCO1 ZINC000329259476 281251763 /nfs/dbraw/zinc/25/17/63/281251763.db2.gz AOBWDYFLLMISDP-UHFFFAOYSA-N 0 0 304.412 0.454 10 0 DCAERN C[C@@H]1OCC[C@@]12CN(C(=O)COc1cnn(C)c1)C[C@@H](C)O2 ZINC000554579567 288330847 /nfs/dbraw/zinc/33/08/47/288330847.db2.gz UCMRQZPDWZWVRY-TYNCELHUSA-N 0 0 309.366 0.594 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H](OC(F)F)C2)CC1 ZINC000555073513 288343539 /nfs/dbraw/zinc/34/35/39/288343539.db2.gz OFZFOLXGDSDXRQ-JQWIXIFHSA-N 0 0 319.352 0.379 10 0 DCAERN O=C(N[C@H]1Cc2cccc(O)c2C1)N1CCN2CCOC[C@H]2C1 ZINC000555663203 288359840 /nfs/dbraw/zinc/35/98/40/288359840.db2.gz AKRJPTHGNNUYNK-UONOGXRCSA-N 0 0 317.389 0.585 10 0 DCAERN CN(C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000329505116 281842025 /nfs/dbraw/zinc/84/20/25/281842025.db2.gz ILWRRVODPSKFGC-VNQPRFMTSA-N 0 0 318.373 0.832 10 0 DCAERN CN1CCOC[C@H]1C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000556729133 288388372 /nfs/dbraw/zinc/38/83/72/288388372.db2.gz ZEDOSBMEQDXXLN-HOTGVXAUSA-N 0 0 320.389 0.623 10 0 DCAERN C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557384371 288418506 /nfs/dbraw/zinc/41/85/06/288418506.db2.gz IZALRULIHYJVHW-NWDGAFQWSA-N 0 0 316.361 0.892 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000560375431 288496945 /nfs/dbraw/zinc/49/69/45/288496945.db2.gz CZIOJKZSOFNLFZ-UHFFFAOYSA-N 0 0 319.427 0.090 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000562321061 288566038 /nfs/dbraw/zinc/56/60/38/288566038.db2.gz AOZBSNAFHDICCN-VROVMSAKSA-N 0 0 307.375 0.721 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ncccc1F ZINC000564706579 288760792 /nfs/dbraw/zinc/76/07/92/288760792.db2.gz OUBHDYFTMHVZOD-OAHLLOKOSA-N 0 0 305.309 0.450 10 0 DCAERN CN(C(=O)N(CC(C)(C)O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000408018456 288818196 /nfs/dbraw/zinc/81/81/96/288818196.db2.gz SCOFGXFDFUXBKG-LLVKDONJSA-N 0 0 304.412 0.461 10 0 DCAERN CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333240089 289008698 /nfs/dbraw/zinc/00/86/98/289008698.db2.gz ZSNKJTZQSWEQPR-RHYQMDGZSA-N 0 0 318.464 0.968 10 0 DCAERN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCCO2)O1 ZINC000329715673 289024688 /nfs/dbraw/zinc/02/46/88/289024688.db2.gz VHHLATZJJPGESJ-FQUUOJAGSA-N 0 0 310.394 0.792 10 0 DCAERN CN1C(=O)C[C@@H](C(=O)N2CCC[C@H](O)C2)[C@H]1c1cccnc1 ZINC000077612445 289818707 /nfs/dbraw/zinc/81/87/07/289818707.db2.gz IEMRNDNSRMPDKT-GZBFAFLISA-N 0 0 303.362 0.584 10 0 DCAERN CN1CCO[C@@H]2CCN(S(=O)(=O)NC3CCCC3)C[C@@H]21 ZINC000329821263 290087426 /nfs/dbraw/zinc/08/74/26/290087426.db2.gz HCLNKQVIPJNCJH-QWHCGFSZSA-N 0 0 303.428 0.168 10 0 DCAERN C[C@H]([C@H](C)N(C)C(=O)CCc1ccnn1C)S(C)(=O)=O ZINC000124441302 290199571 /nfs/dbraw/zinc/19/95/71/290199571.db2.gz IVRWNEMTFIWGCE-WDEREUQCSA-N 0 0 301.412 0.633 10 0 DCAERN CN1C[C@H](NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CCC1=O ZINC000408254038 290306018 /nfs/dbraw/zinc/30/60/18/290306018.db2.gz BLUZFFDNOJIGIP-IJLUTSLNSA-N 0 0 310.398 0.341 10 0 DCAERN CNC(=O)CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000132339486 290365990 /nfs/dbraw/zinc/36/59/90/290365990.db2.gz NVKZIWDOWBUUNE-HNNXBMFYSA-N 0 0 319.405 0.621 10 0 DCAERN CNC(=O)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000132339324 290366358 /nfs/dbraw/zinc/36/63/58/290366358.db2.gz NVKZIWDOWBUUNE-OAHLLOKOSA-N 0 0 319.405 0.621 10 0 DCAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C)no1 ZINC000333095269 293369771 /nfs/dbraw/zinc/36/97/71/293369771.db2.gz OYVGRZFOXJBKPR-GDPRMGEGSA-N 0 0 307.354 0.892 10 0 DCAERN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[S@](C)=O)C[C@H](C)O1 ZINC000154980859 297013648 /nfs/dbraw/zinc/01/36/48/297013648.db2.gz GNWPPUXILCOBDJ-HSAVKHBNSA-N 0 0 316.467 0.855 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000177223824 293653486 /nfs/dbraw/zinc/65/34/86/293653486.db2.gz KTPHJFMYCYGKCZ-YPMHNXCESA-N 0 0 313.423 0.863 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cn(C)cn3)[C@H]2C1 ZINC000407989596 293800115 /nfs/dbraw/zinc/80/01/15/293800115.db2.gz IAKRZMMDOASYQB-GRYCIOLGSA-N 0 0 315.395 0.377 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@@](=O)CC2(C)C)C[C@@H](C)O1 ZINC000189178974 297054941 /nfs/dbraw/zinc/05/49/41/297054941.db2.gz FACGLIWIKNWFAD-XCJKDKRRSA-N 0 0 324.468 0.183 10 0 DCAERN CO[C@@]1(C)C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1(C)C ZINC000408277415 294145194 /nfs/dbraw/zinc/14/51/94/294145194.db2.gz OXNGMVMWDQENLR-PSLIRLAXSA-N 0 0 311.382 0.637 10 0 DCAERN C[C@@H]1CN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@@H](C(N)=O)O1 ZINC000156949932 297070735 /nfs/dbraw/zinc/07/07/35/297070735.db2.gz UJWLQXLZWXCXAC-BBBLOLIVSA-N 0 0 323.315 0.114 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccc(C(N)=O)cc2)cn1 ZINC000181353558 294282011 /nfs/dbraw/zinc/28/20/11/294282011.db2.gz HNCAHHBRCHALMU-AWEZNQCLSA-N 0 0 313.361 0.306 10 0 DCAERN Cn1ccc(N2CCC[C@H](N3CCc4cncnc4C3)C2=O)n1 ZINC000333571879 294348997 /nfs/dbraw/zinc/34/89/97/294348997.db2.gz UGTQNYRFYAWHTP-AWEZNQCLSA-N 0 0 312.377 0.764 10 0 DCAERN COc1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@H]2C)ccc1F ZINC000195479614 295017642 /nfs/dbraw/zinc/01/76/42/295017642.db2.gz RUKOYNTZRJCIGC-PRHODGIISA-N 0 0 316.354 0.637 10 0 DCAERN NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246795182 295099816 /nfs/dbraw/zinc/09/98/16/295099816.db2.gz ATZVUVQQECVYIT-HUUCEWRRSA-N 0 0 307.369 0.759 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246102131 295119286 /nfs/dbraw/zinc/11/92/86/295119286.db2.gz JHPVAQAPUZUAPS-CDMKHQONSA-N 0 0 310.300 0.781 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246096425 295119457 /nfs/dbraw/zinc/11/94/57/295119457.db2.gz IYPJYEMGVBVCCA-KWBADKCTSA-N 0 0 310.300 0.781 10 0 DCAERN COc1ccccc1[C@@H]1CNCCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000262032884 295393054 /nfs/dbraw/zinc/39/30/54/295393054.db2.gz SOGFUWFZFQPHBE-JSGCOSHPSA-N 0 0 317.389 0.646 10 0 DCAERN O=C(N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)[C@]1(O)CCSC1 ZINC000328942756 295582341 /nfs/dbraw/zinc/58/23/41/295582341.db2.gz AFSCDCHATOMIFW-FFSVYQOJSA-N 0 0 324.446 0.856 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000130785136 297146428 /nfs/dbraw/zinc/14/64/28/297146428.db2.gz DHBDHMNLJLTUKH-LPWJVIDDSA-N 0 0 308.378 0.797 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000408194639 297291654 /nfs/dbraw/zinc/29/16/54/297291654.db2.gz ZFBZNTGPEUOCJH-WOPDTQHZSA-N 0 0 304.412 0.436 10 0 DCAERN O=C1CCCN1[C@@H]1CN(c2ncc(F)cn2)[C@@H]2CCCO[C@H]12 ZINC000096064527 304628492 /nfs/dbraw/zinc/62/84/92/304628492.db2.gz ZPAWEYUYASGCOX-BZPMIXESSA-N 0 0 306.341 0.974 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CN(CC(F)(F)F)C1 ZINC000408138500 300033190 /nfs/dbraw/zinc/03/31/90/300033190.db2.gz CJVJZZLYMNYTNV-DTWKUNHWSA-N 0 0 307.316 0.593 10 0 DCAERN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCc3cncnc3C1)CS2 ZINC000329232322 300861052 /nfs/dbraw/zinc/86/10/52/300861052.db2.gz FWPHPMYMMACKAE-DOMZBBRYSA-N 0 0 318.402 0.815 10 0 DCAERN Cc1cc(C)n([C@H](C)C(=O)N(C)CC(=O)N2CCOCC2)n1 ZINC000194504118 301248984 /nfs/dbraw/zinc/24/89/84/301248984.db2.gz GLFXPTQLINAVET-CYBMUJFWSA-N 0 0 308.382 0.378 10 0 DCAERN O=S(=O)(CC(F)(F)F)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000408070780 304731198 /nfs/dbraw/zinc/73/11/98/304731198.db2.gz KKUDDJFFKDQWTH-BDAKNGLRSA-N 0 0 303.302 0.758 10 0 DCAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)CCNC(N)=O ZINC000183726258 301323454 /nfs/dbraw/zinc/32/34/54/301323454.db2.gz AQTYPWHURQKCFG-ZDUSSCGKSA-N 0 0 322.340 0.192 10 0 DCAERN Cc1ccn2ncc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c2n1 ZINC000072565363 302264262 /nfs/dbraw/zinc/26/42/62/302264262.db2.gz KAYZGFYYRNLMEG-GHMZBOCLSA-N 0 0 301.350 0.764 10 0 DCAERN Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181703248 302484036 /nfs/dbraw/zinc/48/40/36/302484036.db2.gz AHNWKVZCQGNKQU-GFCCVEGCSA-N 0 0 324.410 0.095 10 0 DCAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCC(=O)N(C)C)C2)no1 ZINC000170897170 302593513 /nfs/dbraw/zinc/59/35/13/302593513.db2.gz ROMXXIBIVJVSGW-LBPRGKRZSA-N 0 0 323.397 0.820 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1ccc2c(c1O)CCCC2 ZINC000183691951 303307719 /nfs/dbraw/zinc/30/77/19/303307719.db2.gz ULFMMZJRQLJCEQ-ZDUSSCGKSA-N 0 0 304.346 0.597 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408041838 303312191 /nfs/dbraw/zinc/31/21/91/303312191.db2.gz FCFBVHFAQXBEFY-FVCCEPFGSA-N 0 0 313.373 0.054 10 0 DCAERN NC(=O)c1csc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000408248671 303351501 /nfs/dbraw/zinc/35/15/01/303351501.db2.gz WSODVPIXLMPPRR-CQSZACIVSA-N 0 0 307.375 0.589 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000332682427 332855233 /nfs/dbraw/zinc/85/52/33/332855233.db2.gz KGECPDFTHNUVBX-VWYCJHECSA-N 0 0 320.397 0.642 10 0 DCAERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332789009 332871344 /nfs/dbraw/zinc/87/13/44/332871344.db2.gz ZQTKBHSRPSYIRS-YNEHKIRRSA-N 0 0 320.397 0.367 10 0 DCAERN C[C@H](Cn1cncn1)NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000332810618 332876391 /nfs/dbraw/zinc/87/63/91/332876391.db2.gz WTDACQITTMYRIS-AGIUHOORSA-N 0 0 310.402 0.075 10 0 DCAERN Cn1nccc1COCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000570062583 332707625 /nfs/dbraw/zinc/70/76/25/332707625.db2.gz PJBODUVGNAOYAN-SNVBAGLBSA-N 0 0 320.315 0.690 10 0 DCAERN CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)O1 ZINC000189584448 333147986 /nfs/dbraw/zinc/14/79/86/333147986.db2.gz ZSOPNOSLVGFAAO-RYUDHWBXSA-N 0 0 318.439 0.732 10 0 DCAERN C[C@@H]1CN(C(=O)NCc2ccn(C)n2)C[C@]2(CCCOC2)O1 ZINC000570993949 333477651 /nfs/dbraw/zinc/47/76/51/333477651.db2.gz XZRIDLROJARFCA-DOMZBBRYSA-N 0 0 308.382 0.900 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC(=O)N(C)c2ccccc21 ZINC000190224755 336261304 /nfs/dbraw/zinc/26/13/04/336261304.db2.gz DBRNOLYOTKEWOZ-MFKMUULPSA-N 0 0 310.375 0.977 10 0 DCAERN O=C(CN1CCOCC1=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC000583064534 337234695 /nfs/dbraw/zinc/23/46/95/337234695.db2.gz UVIPQAZDZOIKFM-UHFFFAOYSA-N 0 0 301.306 0.269 10 0 DCAERN CC[C@@H](Cn1cc(I)c(=O)[nH]c1=O)OC ZINC000397014996 337243535 /nfs/dbraw/zinc/24/35/35/337243535.db2.gz OYFNSOJWSZHCPE-LURJTMIESA-N 0 0 324.118 0.979 10 0 DCAERN CC(C)[C@](C)(CO)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000398490338 337311523 /nfs/dbraw/zinc/31/15/23/337311523.db2.gz BXOARFYFNUKEGF-AAEUAGOBSA-N 0 0 306.428 0.181 10 0 DCAERN NS(=O)(=O)c1cccc(-c2cccc(F)n2)c1-c1nn[nH]n1 ZINC000584596521 337374206 /nfs/dbraw/zinc/37/42/06/337374206.db2.gz JCGDMKSFDTYZNJ-UHFFFAOYSA-N 0 0 320.309 0.715 10 0 DCAERN O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1CC[S@](=O)C1 ZINC000332947231 337668348 /nfs/dbraw/zinc/66/83/48/337668348.db2.gz VOCCILWGKNSUII-BJFPOWJFSA-N 0 0 310.375 0.647 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000172427853 341798970 /nfs/dbraw/zinc/79/89/70/341798970.db2.gz MKLATCIWYQSTJM-SCZZXKLOSA-N 0 0 302.334 0.630 10 0 DCAERN NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC000172439607 341799049 /nfs/dbraw/zinc/79/90/49/341799049.db2.gz ZTCXWKGNCCUMHL-BDAKNGLRSA-N 0 0 320.374 0.530 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC)OCC ZINC000580636692 341889847 /nfs/dbraw/zinc/88/98/47/341889847.db2.gz CEEXHBPPTYWYRO-GARJFASQSA-N 0 0 302.371 0.374 10 0 DCAERN CS(=O)(=O)N1CCN(CC(=O)N2CCCC23CCC3)CC1 ZINC000577336867 341904748 /nfs/dbraw/zinc/90/47/48/341904748.db2.gz BDVMHIDRXTYUQZ-UHFFFAOYSA-N 0 0 315.439 0.109 10 0 DCAERN CO[C@@H](C(=O)N1CC[C@@]2(CNC(=O)C2)C1)c1ccc(O)cc1 ZINC000577528349 341915804 /nfs/dbraw/zinc/91/58/04/341915804.db2.gz FLIDKZCDUUYSKK-GDBMZVCRSA-N 0 0 304.346 0.818 10 0 DCAERN CCOC(C)(C)CNC(=O)c1cccc(S(N)(=O)=O)c1 ZINC000159686912 521626637 /nfs/dbraw/zinc/62/66/37/521626637.db2.gz VBNXMIXAWJPJQA-UHFFFAOYSA-N 0 0 300.380 0.879 10 0 DCAERN Cc1cc(CSCCNS(=O)(=O)c2cnn(C)c2)no1 ZINC000173759507 533749639 /nfs/dbraw/zinc/74/96/39/533749639.db2.gz NEFJPWBORAMLQC-UHFFFAOYSA-N 0 0 316.408 0.928 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)[C@@H](C)C1 ZINC000357911751 517353853 /nfs/dbraw/zinc/35/38/53/517353853.db2.gz NCSMSJUZAYWRGI-NSHDSACASA-N 0 0 323.418 0.947 10 0 DCAERN Cc1nc(CN2CCN(Cc3nsc(N(C)C)n3)CC2)no1 ZINC000163760912 534361947 /nfs/dbraw/zinc/36/19/47/534361947.db2.gz ZXGMKQNEWGDZGH-UHFFFAOYSA-N 0 0 323.426 0.613 10 0 DCAERN CC(C)(C)C[C@@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189663833 518681130 /nfs/dbraw/zinc/68/11/30/518681130.db2.gz SCEHKGUKMDFWJI-SECBINFHSA-N 0 0 304.350 0.845 10 0 DCAERN CC(C)(C)c1nsc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000157835952 519138148 /nfs/dbraw/zinc/13/81/48/519138148.db2.gz MHKSYKRWNBZAOB-UHFFFAOYSA-N 0 0 304.441 0.917 10 0 DCAERN CC(C)(O)C(C)(C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000365045364 519337273 /nfs/dbraw/zinc/33/72/73/519337273.db2.gz UIQZIEXMEODLPQ-OAHLLOKOSA-N 0 0 311.382 0.373 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)C1 ZINC000188404067 519484146 /nfs/dbraw/zinc/48/41/46/519484146.db2.gz MHPQXNLDJKFEPW-LBPRGKRZSA-N 0 0 306.366 0.637 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000188174330 519494224 /nfs/dbraw/zinc/49/42/24/519494224.db2.gz FQUQZEXQJQQWJM-NSHDSACASA-N 0 0 313.361 0.923 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 ZINC000191126234 519496592 /nfs/dbraw/zinc/49/65/92/519496592.db2.gz TZXRTUPUHUKSBD-UHFFFAOYSA-N 0 0 310.375 0.815 10 0 DCAERN CC(=O)NC1CN(C(=O)NCCOc2ccc(Cl)cn2)C1 ZINC000190251533 519648216 /nfs/dbraw/zinc/64/82/16/519648216.db2.gz BWZIDIULHOMRMB-UHFFFAOYSA-N 0 0 312.757 0.644 10 0 DCAERN CC(=O)NC1CN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000189729498 519648250 /nfs/dbraw/zinc/64/82/50/519648250.db2.gz PGEKUFFEOJZIGS-UHFFFAOYSA-N 0 0 306.370 0.034 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(c3ccncc3C(N)=O)CC2)n1 ZINC000302025072 534439942 /nfs/dbraw/zinc/43/99/42/534439942.db2.gz KGLNTVFXNFEYQF-SNVBAGLBSA-N 0 0 316.365 0.755 10 0 DCAERN CC(C)Oc1cc(CNC(=O)NC[C@@H]2CN(C)CCO2)ccn1 ZINC000155540096 519777803 /nfs/dbraw/zinc/77/78/03/519777803.db2.gz GZMYNNZTVSIBAC-CQSZACIVSA-N 0 0 322.409 0.999 10 0 DCAERN CC(C)c1nnnn1CC(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000159024021 519899042 /nfs/dbraw/zinc/89/90/42/519899042.db2.gz DDXCNKVECPEAKV-INIZCTEOSA-N 0 0 315.377 0.747 10 0 DCAERN CCOCCN1CCN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1C ZINC000105914336 519919658 /nfs/dbraw/zinc/91/96/58/519919658.db2.gz HMULLSQARQSSIW-GJZGRUSLSA-N 0 0 313.442 0.324 10 0 DCAERN CC(C)n1nccc1NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187978565 520115936 /nfs/dbraw/zinc/11/59/36/520115936.db2.gz RWRKKZWDIWVDDI-UHFFFAOYSA-N 0 0 319.365 0.140 10 0 DCAERN CCN(C)S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000189217727 520264193 /nfs/dbraw/zinc/26/41/93/520264193.db2.gz HBSNDXSGKFTIEH-LBPRGKRZSA-N 0 0 302.400 0.473 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000194501307 534484284 /nfs/dbraw/zinc/48/42/84/534484284.db2.gz QZKPNAVJFJTMBD-FRRDWIJNSA-N 0 0 320.393 0.704 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000178806019 534499852 /nfs/dbraw/zinc/49/98/52/534499852.db2.gz GTBSOURIBOYKCB-ZYHUDNBSSA-N 0 0 312.391 0.615 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000156723150 520764144 /nfs/dbraw/zinc/76/41/44/520764144.db2.gz QJKJPTBCLVRYJT-QWHCGFSZSA-N 0 0 318.439 0.686 10 0 DCAERN CCN(CCc1nccs1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000131323344 521172850 /nfs/dbraw/zinc/17/28/50/521172850.db2.gz CIPJYSJWPOQDBD-UHFFFAOYSA-N 0 0 319.452 0.862 10 0 DCAERN CCN(Cc1nnnn1C(C)C)[C@@H](C)CS(=O)(=O)CC ZINC000113000654 521465725 /nfs/dbraw/zinc/46/57/25/521465725.db2.gz BQVAKSWUETVYFS-NSHDSACASA-N 0 0 303.432 0.899 10 0 DCAERN CCC(CC)N1C[C@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000364725351 521565853 /nfs/dbraw/zinc/56/58/53/521565853.db2.gz ZOPAKVJMAMJOQI-HIFRSBDPSA-N 0 0 323.437 0.567 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)c1cnn2ccc(C)nc12 ZINC000155009886 521732896 /nfs/dbraw/zinc/73/28/96/521732896.db2.gz QCLLQXHMDHGDHF-UHFFFAOYSA-N 0 0 303.366 0.930 10 0 DCAERN CCNC(=O)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188069339 521741134 /nfs/dbraw/zinc/74/11/34/521741134.db2.gz KKMVGLQLJCGXOJ-RYUDHWBXSA-N 0 0 311.407 0.602 10 0 DCAERN CNC(=O)c1cccnc1NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000157338903 521920711 /nfs/dbraw/zinc/92/07/11/521920711.db2.gz VGKGXCPMOWFMHU-JTQLQIEISA-N 0 0 312.395 0.135 10 0 DCAERN O=C([C@@H]1C[C@@H](F)CN1Cc1ccc(CO)cc1)N1CCOCC1 ZINC000299743775 534599335 /nfs/dbraw/zinc/59/93/35/534599335.db2.gz MCUVDSLZCTWLPE-CVEARBPZSA-N 0 0 322.380 0.950 10 0 DCAERN COc1cc(C)c(S(=O)(=O)N2CC(NC(C)=O)C2)cc1C ZINC000188545973 522220886 /nfs/dbraw/zinc/22/08/86/522220886.db2.gz ANHUZLUFQZVSCH-UHFFFAOYSA-N 0 0 312.391 0.821 10 0 DCAERN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000126738464 522266578 /nfs/dbraw/zinc/26/65/78/522266578.db2.gz ZRBGZRKILQCVEF-VXGBXAGGSA-N 0 0 324.402 0.491 10 0 DCAERN COC1(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000364585611 522584899 /nfs/dbraw/zinc/58/48/99/522584899.db2.gz JAEROBCXGUNEHK-CYBMUJFWSA-N 0 0 310.394 0.842 10 0 DCAERN COC[C@](C)(CCO)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000182875812 522875415 /nfs/dbraw/zinc/87/54/15/522875415.db2.gz CFVSUANNWNSUND-HNNXBMFYSA-N 0 0 307.350 0.233 10 0 DCAERN COCCCOCC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373695160 523397391 /nfs/dbraw/zinc/39/73/91/523397391.db2.gz LMVHCPDHSQCVDO-HNNXBMFYSA-N 0 0 301.383 0.836 10 0 DCAERN CC[S@@](=O)c1ccccc1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157591318 523638236 /nfs/dbraw/zinc/63/82/36/523638236.db2.gz KGFJHAMHYLQZQJ-AAINXJRWSA-N 0 0 324.402 0.529 10 0 DCAERN CCc1cc(NC(=O)C(=O)N(C)[C@@H](CO)CC(C)C)n(C)n1 ZINC000191106227 523798041 /nfs/dbraw/zinc/79/80/41/523798041.db2.gz FURNMNSTFAEEAF-GFCCVEGCSA-N 0 0 310.398 0.786 10 0 DCAERN CN(C(=O)[C@@]1(O)CCSC1)C1CCN(c2cnccn2)CC1 ZINC000364801299 523905139 /nfs/dbraw/zinc/90/51/39/523905139.db2.gz CNABIDYGKGIZHW-OAHLLOKOSA-N 0 0 322.434 0.772 10 0 DCAERN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CC1OCCCO1 ZINC000188968530 524014289 /nfs/dbraw/zinc/01/42/89/524014289.db2.gz RAGLSAJZEMWSQD-AWEZNQCLSA-N 0 0 320.389 0.955 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cncc(Cl)c1 ZINC000269971366 524016713 /nfs/dbraw/zinc/01/67/13/524016713.db2.gz LGKVNTOUURZNNO-LLVKDONJSA-N 0 0 317.798 0.976 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H](O)Cc2ccccc2)CCC1=O ZINC000128686525 524024060 /nfs/dbraw/zinc/02/40/60/524024060.db2.gz STIWBYWZPIDFSA-ZIAGYGMSSA-N 0 0 305.378 0.510 10 0 DCAERN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000132031404 524028203 /nfs/dbraw/zinc/02/82/03/524028203.db2.gz RHPBBAHBNZTPTC-ZDUSSCGKSA-N 0 0 303.362 0.183 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)cn1 ZINC000190355084 524076343 /nfs/dbraw/zinc/07/63/43/524076343.db2.gz GGRFCYYVWFTWRE-PWSUYJOCSA-N 0 0 309.370 0.518 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](CO)c2ccccc2)cn1 ZINC000194413843 524076370 /nfs/dbraw/zinc/07/63/70/524076370.db2.gz ZBJMAMOOIHFLLG-ZDUSSCGKSA-N 0 0 317.349 0.484 10 0 DCAERN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCNC(=O)CC1 ZINC000299287631 534757766 /nfs/dbraw/zinc/75/77/66/534757766.db2.gz GWLIZYBLHKUXIG-LBPRGKRZSA-N 0 0 319.361 0.623 10 0 DCAERN COc1ccc(F)c(C(=O)N2CCN3CCOC[C@H]3C2)c1OC ZINC000364998472 524271259 /nfs/dbraw/zinc/27/12/59/524271259.db2.gz BGUIYVADUOKSTK-LLVKDONJSA-N 0 0 324.352 1.000 10 0 DCAERN C[C@H]1CCOCCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000364269603 524316772 /nfs/dbraw/zinc/31/67/72/524316772.db2.gz MFSCUQXSIMRDJG-LBPRGKRZSA-N 0 0 318.377 0.269 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N1CC[C@](C)(O)C1 ZINC000192045128 524325250 /nfs/dbraw/zinc/32/52/50/524325250.db2.gz IBCDXOVIMJOBBM-BONVTDFDSA-N 0 0 306.366 0.776 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000187985173 524415914 /nfs/dbraw/zinc/41/59/14/524415914.db2.gz SQGGICUACWPCLL-UHFFFAOYSA-N 0 0 315.373 0.979 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000127983283 524568161 /nfs/dbraw/zinc/56/81/61/524568161.db2.gz FQFRYSWIYBZHHP-NEPJUHHUSA-N 0 0 316.361 0.944 10 0 DCAERN COc1ccccc1N1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC000156785716 524568294 /nfs/dbraw/zinc/56/82/94/524568294.db2.gz XUXAMSISJJBJPL-LLVKDONJSA-N 0 0 306.366 0.449 10 0 DCAERN COc1ccccc1N1C[C@H](C(=O)N2CC(CO)C2)CC1=O ZINC000157006385 524579486 /nfs/dbraw/zinc/57/94/86/524579486.db2.gz BHBJJSFZJFGFJE-GFCCVEGCSA-N 0 0 304.346 0.499 10 0 DCAERN C[C@H](C[S@](C)=O)NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188921423 524678066 /nfs/dbraw/zinc/67/80/66/524678066.db2.gz UOVKWLOHYYKAHS-YBYGRFCBSA-N 0 0 301.412 0.064 10 0 DCAERN C[C@H](NC(=O)N1CCN(c2cccnn2)CC1)[C@H]1CCOC1 ZINC000266474337 525030873 /nfs/dbraw/zinc/03/08/73/525030873.db2.gz BAERBMVKPUHUTR-STQMWFEESA-N 0 0 305.382 0.733 10 0 DCAERN C[C@@H]1CN([C@H](C(N)=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000155466241 525059197 /nfs/dbraw/zinc/05/91/97/525059197.db2.gz KMNNSHBFEYTSNK-SKDRFNHKSA-N 0 0 300.355 0.471 10 0 DCAERN Cc1cc(N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)n[nH]1 ZINC000189171943 525079768 /nfs/dbraw/zinc/07/97/68/525079768.db2.gz ZVSWAWHFLKBPML-UHFFFAOYSA-N 0 0 321.406 0.811 10 0 DCAERN C[C@@H](NC(=O)CN1CCS(=O)(=O)[C@H](C)C1)c1ccccc1 ZINC000246997384 525109164 /nfs/dbraw/zinc/10/91/64/525109164.db2.gz IGSWJRSLFUTPQP-CHWSQXEVSA-N 0 0 310.419 0.983 10 0 DCAERN Cc1cc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)C)cnc1Cl ZINC000189530506 525111000 /nfs/dbraw/zinc/11/10/00/525111000.db2.gz CLIIKRLYWFPQEC-VIFPVBQESA-N 0 0 312.757 0.608 10 0 DCAERN C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccccn1 ZINC000116938057 525175914 /nfs/dbraw/zinc/17/59/14/525175914.db2.gz LBPBPJSFPZKMEJ-GHMZBOCLSA-N 0 0 312.395 0.476 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)C(F)(F)c2ccccc2)C1 ZINC000116834947 525208669 /nfs/dbraw/zinc/20/86/69/525208669.db2.gz NXGPPGHWCBCSHM-LLVKDONJSA-N 0 0 318.345 0.929 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(F)c(F)cc2F)C1 ZINC000131572557 525213034 /nfs/dbraw/zinc/21/30/34/525213034.db2.gz FCVWYSASVGHWEN-ZETCQYMHSA-N 0 0 322.308 0.868 10 0 DCAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648295 525255205 /nfs/dbraw/zinc/25/52/05/525255205.db2.gz NVTIMDIRUUTMBX-NXEZZACHSA-N 0 0 309.370 0.622 10 0 DCAERN Cc1nn(C)cc1[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000173108408 534851416 /nfs/dbraw/zinc/85/14/16/534851416.db2.gz BXCYLWYYWZITDF-NHCYSSNCSA-N 0 0 316.427 0.733 10 0 DCAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCNC(=O)CC2)c1C ZINC000128924927 525425654 /nfs/dbraw/zinc/42/56/54/525425654.db2.gz LCJVTYBOZPFMDT-UHFFFAOYSA-N 0 0 324.402 0.669 10 0 DCAERN C[C@H](NS(C)(=O)=O)C(=O)Nc1cncc(Br)c1 ZINC000155926273 525520110 /nfs/dbraw/zinc/52/01/10/525520110.db2.gz IOSVXSQOVLROES-LURJTMIESA-N 0 0 322.184 0.720 10 0 DCAERN COc1ccc2c(c1)C[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)CO2 ZINC000188948295 525540545 /nfs/dbraw/zinc/54/05/45/525540545.db2.gz ZUZGBYQGHQTBFH-DGCLKSJQSA-N 0 0 318.373 0.983 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000159201595 525547555 /nfs/dbraw/zinc/54/75/55/525547555.db2.gz ARVUZZIOJUCXFA-SECBINFHSA-N 0 0 309.434 0.864 10 0 DCAERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)o1 ZINC000116944141 525703683 /nfs/dbraw/zinc/70/36/83/525703683.db2.gz WDKGZYPMNGSVKE-GHMZBOCLSA-N 0 0 315.395 0.982 10 0 DCAERN C[C@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192565989 525779657 /nfs/dbraw/zinc/77/96/57/525779657.db2.gz IALAGBIAEUBLLI-GWCFXTLKSA-N 0 0 309.341 0.607 10 0 DCAERN Cc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000128709335 525780278 /nfs/dbraw/zinc/78/02/78/525780278.db2.gz XZMNLBWXRIENJL-KGLIPLIRSA-N 0 0 305.378 0.948 10 0 DCAERN C[C@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCc2ccccc2C1 ZINC000111587837 526066849 /nfs/dbraw/zinc/06/68/49/526066849.db2.gz GPTQWQMPFKCXTG-RHSMWYFYSA-N 0 0 317.433 0.880 10 0 DCAERN Cc1cncc(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000189755423 526193238 /nfs/dbraw/zinc/19/32/38/526193238.db2.gz KLXWQDJQEHQMSD-UHFFFAOYSA-N 0 0 318.421 0.366 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)NC[C@@H]3CN(C)CCO3)no2)c1 ZINC000124867158 526265446 /nfs/dbraw/zinc/26/54/46/526265446.db2.gz NSQMZBPKMDYJMD-CYBMUJFWSA-N 0 0 319.365 0.288 10 0 DCAERN O=C(CCCOCCc1ccccc1)N[C@@H]1CCC(=O)NC1=O ZINC000152153356 526444972 /nfs/dbraw/zinc/44/49/72/526444972.db2.gz NVPNLCNLPRSLOM-CQSZACIVSA-N 0 0 318.373 0.947 10 0 DCAERN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N1CC(CO)C1 ZINC000191040232 526492236 /nfs/dbraw/zinc/49/22/36/526492236.db2.gz YUKCBAGDHQYECV-INIZCTEOSA-N 0 0 319.405 0.694 10 0 DCAERN Cc1noc([C@@H](C)N2CCN(C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903304 526644100 /nfs/dbraw/zinc/64/41/00/526644100.db2.gz UMNYMIDDGFOVKO-TZMCWYRMSA-N 0 0 312.414 0.843 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000175248502 526656695 /nfs/dbraw/zinc/65/66/95/526656695.db2.gz PVGLIUPVJATORF-AWEZNQCLSA-N 0 0 302.378 0.599 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000157231964 526690651 /nfs/dbraw/zinc/69/06/51/526690651.db2.gz XSDAOWQPWQAOHI-UTUOFQBUSA-N 0 0 302.334 0.322 10 0 DCAERN O=C(NCc1cccc(Cl)c1)C1CC2(C1)NC(=O)NC2=O ZINC000154586911 526715128 /nfs/dbraw/zinc/71/51/28/526715128.db2.gz NUDJHXGZHOBXLR-UHFFFAOYSA-N 0 0 307.737 0.944 10 0 DCAERN Cc1nc(C)n(C[C@H]2CCCN(Cc3nc(N)nc(N)n3)C2)n1 ZINC000105884932 526763141 /nfs/dbraw/zinc/76/31/41/526763141.db2.gz LRFAVRQJCLMQGC-NSHDSACASA-N 0 0 317.401 0.157 10 0 DCAERN O=C(CN1CCOCC1=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000365102288 526791182 /nfs/dbraw/zinc/79/11/82/526791182.db2.gz WBMQYFVIFIZRHX-INIZCTEOSA-N 0 0 322.336 0.104 10 0 DCAERN O=C(CN1CCOCC1=O)N[C@H]1COc2c1cccc2Cl ZINC000365747505 526792066 /nfs/dbraw/zinc/79/20/66/526792066.db2.gz VEIBFTWDSOOTAV-NSHDSACASA-N 0 0 310.737 0.749 10 0 DCAERN NC(=O)CONC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184253731 526890170 /nfs/dbraw/zinc/89/01/70/526890170.db2.gz OXATVGYKTJRCTM-SECBINFHSA-N 0 0 305.256 0.876 10 0 DCAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000249139960 526969053 /nfs/dbraw/zinc/96/90/53/526969053.db2.gz FLTRDPBDTNXUGP-JHEVNIALSA-N 0 0 304.350 0.446 10 0 DCAERN NC(=O)[C@@H]1COCCN1Cc1nnc(-c2ccccc2)s1 ZINC000155763846 526982119 /nfs/dbraw/zinc/98/21/19/526982119.db2.gz SJGKKGHCPRTRFL-NSHDSACASA-N 0 0 304.375 0.891 10 0 DCAERN Cc1nc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)Nc2n[nH]c(C)n2)n[nH]1 ZINC000163620267 526987592 /nfs/dbraw/zinc/98/75/92/526987592.db2.gz SIFFUMRKFUOBHO-DTORHVGOSA-N 0 0 318.341 0.533 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)Cn2ncn(C)c2=O)cs1 ZINC000187093781 527078126 /nfs/dbraw/zinc/07/81/26/527078126.db2.gz WXKQXKQWCKLMPZ-LLVKDONJSA-N 0 0 307.379 0.710 10 0 DCAERN Cn1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cn1 ZINC000158897705 527160156 /nfs/dbraw/zinc/16/01/56/527160156.db2.gz ICZJOIURJYLGFD-CHWSQXEVSA-N 0 0 305.334 0.978 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cn(C)c(C)n1 ZINC000177005785 527187475 /nfs/dbraw/zinc/18/74/75/527187475.db2.gz IMUDPOLBIMGGQD-JTQLQIEISA-N 0 0 310.383 0.442 10 0 DCAERN Cn1cc(CCCNC(=O)Nc2ccc(C(N)=O)nc2)cn1 ZINC000164214163 527188017 /nfs/dbraw/zinc/18/80/17/527188017.db2.gz GVRPFKZKBHKWPO-UHFFFAOYSA-N 0 0 302.338 0.668 10 0 DCAERN Cn1cc(CNC(=O)CN2CSCC2=O)c(C(F)(F)F)n1 ZINC000156174923 527209649 /nfs/dbraw/zinc/20/96/49/527209649.db2.gz RXRGNFJJOLEGNQ-UHFFFAOYSA-N 0 0 322.312 0.588 10 0 DCAERN O=C(Nc1cccc(Cl)c1F)C(=O)N1CCNC(=O)CC1 ZINC000133766451 527346431 /nfs/dbraw/zinc/34/64/31/527346431.db2.gz RNLCJSNHZPZMHN-UHFFFAOYSA-N 0 0 313.716 0.766 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000194022063 527442181 /nfs/dbraw/zinc/44/21/81/527442181.db2.gz PBOWQGYSAKBINN-KWCYVHTRSA-N 0 0 319.409 0.890 10 0 DCAERN O=C(NC1CN(C[C@@H](O)COCc2cccs2)C1)C1CC1 ZINC000187982641 527543805 /nfs/dbraw/zinc/54/38/05/527543805.db2.gz CPPVTZOMJHRECL-CYBMUJFWSA-N 0 0 310.419 0.836 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)c1cc(C(N)=O)cn1C ZINC000176455110 528009599 /nfs/dbraw/zinc/00/95/99/528009599.db2.gz BUKWVNGTLBPERO-UHFFFAOYSA-N 0 0 308.382 0.502 10 0 DCAERN CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000177527667 528309356 /nfs/dbraw/zinc/30/93/56/528309356.db2.gz KGVSENXSPCICSF-NEPJUHHUSA-N 0 0 305.382 0.878 10 0 DCAERN CCOC(=O)c1csc(NCCNS(=O)(=O)CC)n1 ZINC000295501439 528361195 /nfs/dbraw/zinc/36/11/95/528361195.db2.gz KUUJXXNUOCRHKS-UHFFFAOYSA-N 0 0 307.397 0.671 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N1CCCC[C@H]1C ZINC000176564919 528702590 /nfs/dbraw/zinc/70/25/90/528702590.db2.gz GJZMWFZVESHZDQ-WSVYEEACSA-N 0 0 313.427 0.904 10 0 DCAERN CC(C)n1nnnc1C[S@](=O)CC(=O)NCc1ccccc1 ZINC000176574721 528703922 /nfs/dbraw/zinc/70/39/22/528703922.db2.gz PLIYLAVVYSJQLJ-QFIPXVFZSA-N 0 0 321.406 0.819 10 0 DCAERN CCN(C(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)C(C)C ZINC000299738708 528983473 /nfs/dbraw/zinc/98/34/73/528983473.db2.gz FLEJLVBFFVEABS-NSHDSACASA-N 0 0 308.386 0.864 10 0 DCAERN CCCNC(=O)CCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000163914047 535038641 /nfs/dbraw/zinc/03/86/41/535038641.db2.gz INNNOXIVKPNCEP-LLVKDONJSA-N 0 0 322.413 0.891 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cnc(OCC2CC2)cn1 ZINC000284180665 535240067 /nfs/dbraw/zinc/24/00/67/535240067.db2.gz GTCOSZPGIOYWIV-CQSZACIVSA-N 0 0 318.377 0.862 10 0 DCAERN CCC[C@@H](OC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000450785478 535401721 /nfs/dbraw/zinc/40/17/21/535401721.db2.gz NKUSFVBFXNMXDV-GFCCVEGCSA-N 0 0 300.399 0.897 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000120338347 536386288 /nfs/dbraw/zinc/38/62/88/536386288.db2.gz CWBXKRFAMPDXAP-GFCCVEGCSA-N 0 0 316.423 0.471 10 0 DCAERN COC(=O)c1cc(C)cc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1 ZINC000457760154 536879965 /nfs/dbraw/zinc/87/99/65/536879965.db2.gz SBJMRQDEMZSRPV-CYBMUJFWSA-N 0 0 320.389 0.920 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000075509719 545674727 /nfs/dbraw/zinc/67/47/27/545674727.db2.gz QDUDWBVICZJESO-JTQLQIEISA-N 0 0 317.349 0.353 10 0 DCAERN C[C@@H](CNC(=O)CS(=O)(=O)C1CCCC1)N1CCOCC1 ZINC000078870478 545684120 /nfs/dbraw/zinc/68/41/20/545684120.db2.gz QIWAJKSZYPCFJQ-LBPRGKRZSA-N 0 0 318.439 0.181 10 0 DCAERN O=C(CNC(=O)c1cccc(Br)c1)NC1COC1 ZINC000094710670 545727857 /nfs/dbraw/zinc/72/78/57/545727857.db2.gz LMPOWCHYRNNZOR-UHFFFAOYSA-N 0 0 313.151 0.694 10 0 DCAERN CN(C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[C@H]1CCOC1 ZINC000106840029 545733222 /nfs/dbraw/zinc/73/32/22/545733222.db2.gz STDFPVKUVMJLCZ-RWMBFGLXSA-N 0 0 308.378 0.799 10 0 DCAERN Cn1ncc2c1nnn(Cc1nc(C3CCCC3)no1)c2=O ZINC000119704604 545740460 /nfs/dbraw/zinc/74/04/60/545740460.db2.gz MTTGWAWHPUCRKP-UHFFFAOYSA-N 0 0 301.310 0.614 10 0 DCAERN O=C1CCCN1C[C@@H](O)CN1CCC(=O)Nc2ccccc21 ZINC000121975405 545749983 /nfs/dbraw/zinc/74/99/83/545749983.db2.gz SWCIXBHRVVLSMJ-LBPRGKRZSA-N 0 0 303.362 0.819 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000131040206 545788815 /nfs/dbraw/zinc/78/88/15/545788815.db2.gz KJSRBVXILLXJSY-GFCCVEGCSA-N 0 0 318.439 0.922 10 0 DCAERN CN(C(=O)NC[C@H]1CN(C)CCO1)[C@@H]1CCCc2c1cnn2C ZINC000158465359 545856191 /nfs/dbraw/zinc/85/61/91/545856191.db2.gz ULZUABBPGIJWTD-GXTWGEPZSA-N 0 0 321.425 0.770 10 0 DCAERN CC1(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCC1 ZINC000176630909 545888905 /nfs/dbraw/zinc/88/89/05/545888905.db2.gz OLNCHTHLWFQOGV-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1cnn(CC2CC2)c1)[C@@H]1CCCO1 ZINC000177825603 545892641 /nfs/dbraw/zinc/89/26/41/545892641.db2.gz JIBVOTHIYJSOKO-GWCFXTLKSA-N 0 0 306.366 0.915 10 0 DCAERN C[C@@H](NC(=O)NCCCn1ccnn1)C(=O)N1CCCC[C@H]1C ZINC000182410988 545905733 /nfs/dbraw/zinc/90/57/33/545905733.db2.gz CHXANMWRPKBZPQ-CHWSQXEVSA-N 0 0 322.413 0.757 10 0 DCAERN C[C@@H](CNC(=O)c1ccc(-c2nc[nH]n2)cc1)N1CCOCC1 ZINC000184386225 545910819 /nfs/dbraw/zinc/91/08/19/545910819.db2.gz DKPRSWUHCCGZIG-LBPRGKRZSA-N 0 0 315.377 0.922 10 0 DCAERN Cn1ncc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1N ZINC000184553528 545910850 /nfs/dbraw/zinc/91/08/50/545910850.db2.gz GOFLDNVEOLIRDH-ZDUSSCGKSA-N 0 0 313.361 0.928 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC[C@@H]1C ZINC000187904079 545916240 /nfs/dbraw/zinc/91/62/40/545916240.db2.gz CJPPCNGFLNWRRV-RWMBFGLXSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@H]1CN(C[C@@H](O)CN2CCCC2=O)CCN1CC(F)(F)F ZINC000245654324 545962120 /nfs/dbraw/zinc/96/21/20/545962120.db2.gz DDPPXTPXDGNEOC-NWDGAFQWSA-N 0 0 323.359 0.538 10 0 DCAERN CC(C)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C)C1=O ZINC000329597821 546052385 /nfs/dbraw/zinc/05/23/85/546052385.db2.gz WHBJXOHEGZCXRK-CBBWQLFWSA-N 0 0 324.421 0.753 10 0 DCAERN COCCOc1ncccc1C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000358697412 546193363 /nfs/dbraw/zinc/19/33/63/546193363.db2.gz VHPYMNDZPXWAEE-GFCCVEGCSA-N 0 0 321.377 0.800 10 0 DCAERN C[C@H]1CN(S(=O)(=O)N2CCC(CCO)CC2)C[C@H](C)O1 ZINC000400985170 546225071 /nfs/dbraw/zinc/22/50/71/546225071.db2.gz YGBZEYYAXSMPFJ-RYUDHWBXSA-N 0 0 306.428 0.435 10 0 DCAERN CCc1ccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000405286364 546227715 /nfs/dbraw/zinc/22/77/15/546227715.db2.gz XWURKHRWLLSIJW-WDEREUQCSA-N 0 0 316.448 0.750 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC000405263874 546228117 /nfs/dbraw/zinc/22/81/17/546228117.db2.gz KOCOMFXKULDASH-WDEREUQCSA-N 0 0 302.421 0.496 10 0 DCAERN NC(=O)C1(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)CCC1 ZINC000532865064 546289589 /nfs/dbraw/zinc/28/95/89/546289589.db2.gz CRWLUHKOVVEHJQ-UHFFFAOYSA-N 0 0 300.322 0.385 10 0 DCAERN Cc1cc(CNC(=O)Cn2cnc3ccccc3c2=O)ncn1 ZINC000585359116 546303398 /nfs/dbraw/zinc/30/33/98/546303398.db2.gz BNNWHLUYFGJJFP-UHFFFAOYSA-N 0 0 309.329 0.811 10 0 DCAERN CO[C@@H]1CN(Cc2cnc(N(C)C)nc2)C[C@H]1c1c[nH]nn1 ZINC000668576626 546789635 /nfs/dbraw/zinc/78/96/35/546789635.db2.gz PUROEOIXLCSKGC-WCQYABFASA-N 0 0 303.370 0.275 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N[C@H]2CCc3nc(C)ncc3C2)N(C)C1 ZINC000671438545 547212152 /nfs/dbraw/zinc/21/21/52/547212152.db2.gz NTSWXUVHUJPSBI-YDHLFZDLSA-N 0 0 304.394 0.478 10 0 DCAERN COc1ccc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)c(F)c1 ZINC000671498160 547227210 /nfs/dbraw/zinc/22/72/10/547227210.db2.gz BFFNEOHXRPJQTL-OAHLLOKOSA-N 0 0 320.324 0.703 10 0 DCAERN C[C@@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000681394947 548245253 /nfs/dbraw/zinc/24/52/53/548245253.db2.gz YEDCTNNNYWXBCP-CMPLNLGQSA-N 0 0 317.432 0.928 10 0 DCAERN Cc1cc(S(=O)(=O)N[C@H]2CNOC2)ccc1OC(C)C ZINC000722499960 661280813 /nfs/dbraw/zinc/28/08/13/661280813.db2.gz FUSIQCLNSRNHHY-NSHDSACASA-N 0 0 300.380 0.964 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)c1ccsc1 ZINC000356250298 665422595 /nfs/dbraw/zinc/42/25/95/665422595.db2.gz HBYGLQUTITZMJA-QWRGUYRKSA-N 0 0 300.405 0.819 10 0 DCAERN COC[C@@H]1CN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CCO1 ZINC000255370598 657527165 /nfs/dbraw/zinc/52/71/65/657527165.db2.gz ZVVMMTJCMOGFGP-JSGCOSHPSA-N 0 0 322.409 0.562 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2cccnc2-n2cccn2)c1 ZINC000187868982 657665026 /nfs/dbraw/zinc/66/50/26/657665026.db2.gz UZILIINVHMQTAG-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccccn1 ZINC000181262041 665513164 /nfs/dbraw/zinc/51/31/64/665513164.db2.gz UDFCUBSEKRBTHO-NSHDSACASA-N 0 0 312.395 0.729 10 0 DCAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)[C@@H](C)O ZINC000344879286 657920441 /nfs/dbraw/zinc/92/04/41/657920441.db2.gz JGSGTRITCUCNOO-JGVFFNPUSA-N 0 0 307.393 0.891 10 0 DCAERN Cn1c(=O)c2cc(C(=O)OCc3ccoc3)cnc2n(C)c1=O ZINC000052747169 657941084 /nfs/dbraw/zinc/94/10/84/657941084.db2.gz WQOLBWPBLJSDAQ-UHFFFAOYSA-N 0 0 315.285 0.582 10 0 DCAERN CCCOc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1 ZINC000168665113 657962295 /nfs/dbraw/zinc/96/22/95/657962295.db2.gz YGHJDYTWBUEIHB-GFCCVEGCSA-N 0 0 315.391 0.857 10 0 DCAERN CC1CCC(N(C)C(=O)C[C@H]2CNCCS2(=O)=O)CC1 ZINC000725019025 658022683 /nfs/dbraw/zinc/02/26/83/658022683.db2.gz VMSJBLZYQOYHHJ-BPCQOVAHSA-N 0 0 302.440 0.800 10 0 DCAERN Cc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1cccnc1 ZINC000160463249 658082535 /nfs/dbraw/zinc/08/25/35/658082535.db2.gz OYXZDGKLDDPELP-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN CNC(=O)CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000254993259 658095298 /nfs/dbraw/zinc/09/52/98/658095298.db2.gz DNHBGYRZRJZQJQ-GHXNOFRVSA-N 0 0 323.418 0.351 10 0 DCAERN COCc1nn(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)c(=O)o1 ZINC000254998525 658125455 /nfs/dbraw/zinc/12/54/55/658125455.db2.gz PWEHGAUQCNMNMK-VIFPVBQESA-N 0 0 321.337 0.211 10 0 DCAERN CC(=O)N1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000255003136 658134552 /nfs/dbraw/zinc/13/45/52/658134552.db2.gz AZDLHOBCDOFXNV-LBPRGKRZSA-N 0 0 319.409 0.379 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)CCc2cnn(C)c2)C1 ZINC000176872721 658186088 /nfs/dbraw/zinc/18/60/88/658186088.db2.gz JYSHIFNOQDONOT-CQSZACIVSA-N 0 0 323.393 0.923 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)c2cnn(C)c2C)C1 ZINC000176875057 658187003 /nfs/dbraw/zinc/18/70/03/658187003.db2.gz VZUBVEGSSBHZAU-GFCCVEGCSA-N 0 0 309.366 0.913 10 0 DCAERN Cc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(C)o1 ZINC000888078360 658726349 /nfs/dbraw/zinc/72/63/49/658726349.db2.gz LRQDEWQUFNQPFQ-INIZCTEOSA-N 0 0 321.377 0.299 10 0 DCAERN C[C@@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)C[C@@H](C)O1 ZINC000051115543 658757507 /nfs/dbraw/zinc/75/75/07/658757507.db2.gz RNCJNKDBZMQLMO-CHWSQXEVSA-N 0 0 312.410 0.898 10 0 DCAERN C[C@H]1CN(C(=O)CN2CC[C@H](Oc3cccnc3)C2)CCO1 ZINC000177968278 658835892 /nfs/dbraw/zinc/83/58/92/658835892.db2.gz KPBRFDBSIOQQJI-ZFWWWQNUSA-N 0 0 305.378 0.782 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@H](C)CN1CCOCC1 ZINC000181616758 665628341 /nfs/dbraw/zinc/62/83/41/665628341.db2.gz OJEALPGAKSMLEE-ZIAGYGMSSA-N 0 0 312.410 0.897 10 0 DCAERN O=C(NCCCN1CCCS1(=O)=O)OCC(F)(F)F ZINC000725860739 659054479 /nfs/dbraw/zinc/05/44/79/659054479.db2.gz RLNXSHXGXZPJRB-UHFFFAOYSA-N 0 0 304.290 0.701 10 0 DCAERN CCCn1cc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000163624869 659086395 /nfs/dbraw/zinc/08/63/95/659086395.db2.gz ZZQXGMAMJJQINW-WDEREUQCSA-N 0 0 321.381 0.344 10 0 DCAERN NC(=O)c1coc(CNS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000188245820 659330883 /nfs/dbraw/zinc/33/08/83/659330883.db2.gz YMGSYACNTQSSQG-UHFFFAOYSA-N 0 0 315.738 0.905 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000162653767 659425324 /nfs/dbraw/zinc/42/53/24/659425324.db2.gz JGYUDUZEDFPWIG-XQQFMLRXSA-N 0 0 300.424 0.554 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)OCCn1ccccc1=O ZINC000194206748 659486497 /nfs/dbraw/zinc/48/64/97/659486497.db2.gz BZMQRWQBUCTVHJ-CQSZACIVSA-N 0 0 308.378 0.892 10 0 DCAERN CNC(=O)[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)C(C)C ZINC000178437148 659523950 /nfs/dbraw/zinc/52/39/50/659523950.db2.gz ORFVIWYWFPUSCD-CJNGLKHVSA-N 0 0 307.394 0.964 10 0 DCAERN NS(=O)(=O)N1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000066903578 659695476 /nfs/dbraw/zinc/69/54/76/659695476.db2.gz VAYDDAKLBKKWSX-UHFFFAOYSA-N 0 0 303.428 0.741 10 0 DCAERN COc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc(OC)c1OC ZINC000196163560 659697450 /nfs/dbraw/zinc/69/74/50/659697450.db2.gz OHOHETNACSZECL-SECBINFHSA-N 0 0 322.317 0.247 10 0 DCAERN CC[C@H]1OCC[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000234094011 661345402 /nfs/dbraw/zinc/34/54/02/661345402.db2.gz NZCMVBPWEFBZOW-VHSXEESVSA-N 0 0 318.420 0.827 10 0 DCAERN Cn1c(C(=O)NCCOCC(N)=O)ccc1-c1ccccc1 ZINC000137407697 662246867 /nfs/dbraw/zinc/24/68/67/662246867.db2.gz ADFMTDTYMPRCQV-UHFFFAOYSA-N 0 0 301.346 0.924 10 0 DCAERN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(F)(F)CN1 ZINC000262927474 662599930 /nfs/dbraw/zinc/59/99/30/662599930.db2.gz HOIBBPQTKXUAIO-ZYHUDNBSSA-N 0 0 309.316 0.905 10 0 DCAERN COC(=O)CN1CCC([NH2+]C[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000263098173 662630522 /nfs/dbraw/zinc/63/05/22/662630522.db2.gz WAZJKNQDLCCHFT-GFCCVEGCSA-N 0 0 300.399 0.960 10 0 DCAERN COC[C@H](NC(=S)NCCS(C)(=O)=O)c1ccccc1 ZINC000729159798 662640193 /nfs/dbraw/zinc/64/01/93/662640193.db2.gz XDFVRHHYZLZGOA-LBPRGKRZSA-N 0 0 316.448 0.883 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NC[C@H]2CCC=CO2)C1 ZINC000263385901 662682749 /nfs/dbraw/zinc/68/27/49/662682749.db2.gz PQCZKBXPOQTTAO-WXRRBKDZSA-N 0 0 311.382 0.916 10 0 DCAERN COc1cccc(C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000729831070 662910776 /nfs/dbraw/zinc/91/07/76/662910776.db2.gz QMDKNFCFMLPNGH-UHFFFAOYSA-N 0 0 318.285 0.384 10 0 DCAERN O=C(NCCCn1ccnn1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000182951570 665938895 /nfs/dbraw/zinc/93/88/95/665938895.db2.gz GYEDQQHTSTVCJP-CYBMUJFWSA-N 0 0 300.318 0.566 10 0 DCAERN CCC/C=C\[C@H](O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000900833570 663285833 /nfs/dbraw/zinc/28/58/33/663285833.db2.gz RNIFQGMFCRMCRY-QDDHOEGMSA-N 0 0 320.393 0.749 10 0 DCAERN Cc1nc2c(nccc2C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)[nH]1 ZINC000436189637 663431249 /nfs/dbraw/zinc/43/12/49/663431249.db2.gz UVPLNCOJIVWHEN-PSASIEDQSA-N 0 0 303.322 0.029 10 0 DCAERN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C)N1Cc2ccccc2C1=O ZINC000908006234 663727632 /nfs/dbraw/zinc/72/76/32/663727632.db2.gz ZPYJEVYJBJYJCG-MISXGVKJSA-N 0 0 315.373 0.814 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)c(O)c1 ZINC000909158384 663782616 /nfs/dbraw/zinc/78/26/16/663782616.db2.gz BRSLEZYVEAUQDL-KWCYVHTRSA-N 0 0 303.318 0.702 10 0 DCAERN COc1cccc(CC(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 ZINC000909148199 663783579 /nfs/dbraw/zinc/78/35/79/663783579.db2.gz JFHOQEWYEMCYPZ-IIAWOOMASA-N 0 0 301.346 0.925 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)c(C2CC2)n1 ZINC000909189103 663785898 /nfs/dbraw/zinc/78/58/98/663785898.db2.gz ZSKMXKOFQCEBAG-YRGRVCCFSA-N 0 0 301.350 0.598 10 0 DCAERN CC(C)c1nccn1CC(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1 ZINC000909189324 663785913 /nfs/dbraw/zinc/78/59/13/663785913.db2.gz HSROKNNYFQBHGS-MBNYWOFBSA-N 0 0 303.366 0.694 10 0 DCAERN COc1cccc(CCC(=O)N2CCOC[C@@H]2CO)c1OC ZINC000912427437 664175048 /nfs/dbraw/zinc/17/50/48/664175048.db2.gz KWWMPXVLYANCSZ-ZDUSSCGKSA-N 0 0 309.362 0.856 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000163677534 664355250 /nfs/dbraw/zinc/35/52/50/664355250.db2.gz QNENTHQUTBRKBE-IUCAKERBSA-N 0 0 324.768 0.786 10 0 DCAERN COCCN1CCN(C(=O)[C@H](O)c2cccc(OC)c2)C[C@@H]1C ZINC000164766958 664389097 /nfs/dbraw/zinc/38/90/97/664389097.db2.gz LACRSWACRKJUOK-XJKSGUPXSA-N 0 0 322.405 0.908 10 0 DCAERN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCC(=O)N(C)C)O2 ZINC000223292788 664405934 /nfs/dbraw/zinc/40/59/34/664405934.db2.gz KCYMSQMVNKPKAP-INIZCTEOSA-N 0 0 319.361 0.679 10 0 DCAERN CS(=O)(=O)NCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000056635644 664408479 /nfs/dbraw/zinc/40/84/79/664408479.db2.gz QTTLTBLLUUIFNQ-YFHOEESVSA-N 0 0 304.393 0.126 10 0 DCAERN CC(=O)N1CCN(C(=O)c2nn3c(c2Cl)OCCC3)CC1 ZINC000223785340 664423174 /nfs/dbraw/zinc/42/31/74/664423174.db2.gz XGHXYWICXCTYTB-UHFFFAOYSA-N 0 0 312.757 0.623 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(Br)ccc1O ZINC000227636525 664536813 /nfs/dbraw/zinc/53/68/13/664536813.db2.gz SJKBDOMBBUINCI-UHFFFAOYSA-N 0 0 302.128 0.553 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)Nc2cn(C)nc2C)C1=O ZINC000172758166 664624825 /nfs/dbraw/zinc/62/48/25/664624825.db2.gz HWJWSUKUHKAVJV-UHFFFAOYSA-N 0 0 307.354 0.778 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062966817 664625099 /nfs/dbraw/zinc/62/50/99/664625099.db2.gz VJPOKHVLHVEVQQ-SECBINFHSA-N 0 0 302.352 0.611 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000173707723 664630996 /nfs/dbraw/zinc/63/09/96/664630996.db2.gz BJNQXXRFBLJDQT-QMTHXVAHSA-N 0 0 312.391 0.915 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N[C@H](C)C(C)C ZINC000730305473 664681351 /nfs/dbraw/zinc/68/13/51/664681351.db2.gz NLMLOYVKYLMOFE-MWLCHTKSSA-N 0 0 302.396 0.612 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000730313179 664684345 /nfs/dbraw/zinc/68/43/45/664684345.db2.gz XLMXRTKWAQLNAB-PSASIEDQSA-N 0 0 302.396 0.754 10 0 DCAERN CC[C@H](C)[C@H](NC(=O)COC(=O)C1=COCCC1)C(=O)OC ZINC000730850610 664820380 /nfs/dbraw/zinc/82/03/80/664820380.db2.gz BTLCQBBCQIRDEJ-GWCFXTLKSA-N 0 0 313.350 0.928 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CNC(=O)N1 ZINC000732361750 664921498 /nfs/dbraw/zinc/92/14/98/664921498.db2.gz QUTQMEWYCNMMKB-SKDRFNHKSA-N 0 0 319.317 0.441 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CNC(=O)N2)c1C ZINC000732361941 664921960 /nfs/dbraw/zinc/92/19/60/664921960.db2.gz OARUDXAFLCFRBY-VIFPVBQESA-N 0 0 307.306 0.241 10 0 DCAERN Cn1nnc(Br)c1C(=O)NC[C@@H](O)C(C)(C)C ZINC000324460762 664970214 /nfs/dbraw/zinc/97/02/14/664970214.db2.gz YBXSVGSHONJRIO-ZCFIWIBFSA-N 0 0 305.176 0.714 10 0 DCAERN CCCNC(=O)CCCC(=O)O[C@H](C)CN1CCOCC1 ZINC000179515460 665379507 /nfs/dbraw/zinc/37/95/07/665379507.db2.gz CMBWLODCOODPIN-CYBMUJFWSA-N 0 0 300.399 0.947 10 0 DCAERN Cn1nnc2ccc(C(=O)OC[C@@H]3CCCN3C(N)=O)cc21 ZINC000183616379 666081298 /nfs/dbraw/zinc/08/12/98/666081298.db2.gz BGZHTHGRKGQDAE-JTQLQIEISA-N 0 0 303.322 0.668 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC000357294820 666150496 /nfs/dbraw/zinc/15/04/96/666150496.db2.gz AYMGRHJJQFODMT-STQMWFEESA-N 0 0 313.423 0.283 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCCCCS(C)(=O)=O ZINC000357291634 666150518 /nfs/dbraw/zinc/15/05/18/666150518.db2.gz PZZBFYQUEBBXKJ-NSHDSACASA-N 0 0 322.452 0.239 10 0 DCAERN O[C@@H](Cn1ccnc1[C@H](O)c1ccccc1)CN1CCOCC1 ZINC000184748593 666269621 /nfs/dbraw/zinc/26/96/21/666269621.db2.gz MSWMARQDSZLMHR-HZPDHXFCSA-N 0 0 317.389 0.658 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000184947923 666309681 /nfs/dbraw/zinc/30/96/81/666309681.db2.gz OESPVGFPNCLZCG-UHFFFAOYSA-N 0 0 302.334 0.947 10 0 DCAERN COC(=O)C[C@H](C)NC(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000073919906 666597833 /nfs/dbraw/zinc/59/78/33/666597833.db2.gz LKVFAYWXFPMYDH-QMMMGPOBSA-N 0 0 320.267 0.935 10 0 DCAERN C/C(=C/C(=O)NNC(=O)[C@H]1COCCO1)c1cccc(F)c1 ZINC000073985162 666605737 /nfs/dbraw/zinc/60/57/37/666605737.db2.gz BTIRHCYROIBRNB-PGJNLMOESA-N 0 0 308.309 0.792 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1cc(Cl)ccn1 ZINC000448329158 666636278 /nfs/dbraw/zinc/63/62/78/666636278.db2.gz IFYXNBKVSUFTDK-OAHLLOKOSA-N 0 0 321.764 0.964 10 0 DCAERN Cn1nnc(C(=O)NCCc2ccc(Br)cc2)n1 ZINC000700389796 666716044 /nfs/dbraw/zinc/71/60/44/666716044.db2.gz YCQDIKSCLLSSBE-UHFFFAOYSA-N 0 0 310.155 0.945 10 0 DCAERN COC(=O)N(C)CCN(C)S(=O)(=O)c1cccnc1F ZINC000700668019 666747889 /nfs/dbraw/zinc/74/78/89/666747889.db2.gz BLNYHLIPQQCAEK-UHFFFAOYSA-N 0 0 305.331 0.539 10 0 DCAERN C[C@@](O)(CO)CNC(=O)c1cc(Br)cnc1F ZINC000700875987 666775758 /nfs/dbraw/zinc/77/57/58/666775758.db2.gz AUBQVQSQYRPYFQ-JTQLQIEISA-N 0 0 307.119 0.456 10 0 DCAERN CC[S@](=O)CCNC(=O)CCNC(=O)Cc1ccccc1 ZINC000733878008 666823426 /nfs/dbraw/zinc/82/34/26/666823426.db2.gz DKISOLWMEWXUQE-NRFANRHFSA-N 0 0 310.419 0.620 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000733878050 666823438 /nfs/dbraw/zinc/82/34/38/666823438.db2.gz FBHHMXKNWYTYHW-FKIZINRSSA-N 0 0 300.424 0.520 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(OCCCOC)nc1 ZINC000733881117 666823680 /nfs/dbraw/zinc/82/36/80/666823680.db2.gz ZJNMGOTUKZSFGZ-NRFANRHFSA-N 0 0 314.407 0.995 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000733900041 666824975 /nfs/dbraw/zinc/82/49/75/666824975.db2.gz RUZGQDFTNNDSFN-IBGZPJMESA-N 0 0 318.420 0.692 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000733963938 666832712 /nfs/dbraw/zinc/83/27/12/666832712.db2.gz ZNIHZNSGZNVYDI-IBGZPJMESA-N 0 0 322.408 0.028 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC000735108152 666947045 /nfs/dbraw/zinc/94/70/45/666947045.db2.gz NINQNLFKHVCZHO-YEJXKQKISA-N 0 0 314.407 0.796 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)NCC[S@@](=O)CC)C1 ZINC000735109466 666947244 /nfs/dbraw/zinc/94/72/44/666947244.db2.gz FNTNHOJVYLGYFT-GTJPDFRWSA-N 0 0 317.455 0.703 10 0 DCAERN CCS(=O)(=O)CCN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000118398523 666949229 /nfs/dbraw/zinc/94/92/29/666949229.db2.gz HJYDBMZQRXOJGH-CQSZACIVSA-N 0 0 315.439 0.635 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)c1cccc(F)c1 ZINC000735109678 666949792 /nfs/dbraw/zinc/94/97/92/666949792.db2.gz FFHSYFOASWHCGO-MPBGBICISA-N 0 0 302.371 0.927 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCCN1c2ccccc2CC1=O ZINC000735095237 666951362 /nfs/dbraw/zinc/95/13/62/666951362.db2.gz IIJSVKDVNFDIAT-JOCHJYFZSA-N 0 0 323.418 0.644 10 0 DCAERN CCOc1ccc(NC(=O)C(=O)NCC[S@](=O)CC)cc1 ZINC000735202025 666968587 /nfs/dbraw/zinc/96/85/87/666968587.db2.gz SVMYRQYQVAYYNG-OAQYLSRUSA-N 0 0 312.391 0.909 10 0 DCAERN COC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702816247 666999100 /nfs/dbraw/zinc/99/91/00/666999100.db2.gz QYXHDOJDHFHDFR-QWRGUYRKSA-N 0 0 316.398 0.755 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000702840380 667009939 /nfs/dbraw/zinc/00/99/39/667009939.db2.gz CMPPONMKUIYMME-MWLCHTKSSA-N 0 0 320.411 0.296 10 0 DCAERN CCS(=O)(=O)CCN[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000703357840 667082985 /nfs/dbraw/zinc/08/29/85/667082985.db2.gz RYCOWXOEXUCILQ-SNVBAGLBSA-N 0 0 308.400 0.562 10 0 DCAERN C[C@@H]1[C@H](C)N(Cn2c3ccccc3n(C)c2=O)CCS1(=O)=O ZINC000736287557 667137240 /nfs/dbraw/zinc/13/72/40/667137240.db2.gz JDHNGKBAZRHRTI-NWDGAFQWSA-N 0 0 323.418 0.805 10 0 DCAERN CN(C)c1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)cc(=O)[nH]1 ZINC000864841467 667288680 /nfs/dbraw/zinc/28/86/80/667288680.db2.gz MKPQTRBNFOJJBJ-VIFPVBQESA-N 0 0 302.338 0.601 10 0 DCAERN C[C@H](CS(C)(=O)=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000705620067 667351640 /nfs/dbraw/zinc/35/16/40/667351640.db2.gz HDJPKCDOTQNVPZ-NXEZZACHSA-N 0 0 308.400 0.560 10 0 DCAERN CN(CCOCCNCc1cnn(C)n1)C(=O)OC(C)(C)C ZINC000705903464 667391737 /nfs/dbraw/zinc/39/17/37/667391737.db2.gz LFXIMOUIGJKTMV-UHFFFAOYSA-N 0 0 313.402 0.788 10 0 DCAERN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)C1CCC(=O)CC1 ZINC000708221263 667442359 /nfs/dbraw/zinc/44/23/59/667442359.db2.gz LJGBLDPREWDZIM-LBPRGKRZSA-N 0 0 302.396 0.428 10 0 DCAERN CCOC(CC(=O)NC(C)(C)CNS(C)(=O)=O)OCC ZINC000708337397 667442684 /nfs/dbraw/zinc/44/26/84/667442684.db2.gz OQXIPGFURBVTAR-UHFFFAOYSA-N 0 0 310.416 0.220 10 0 DCAERN C[C@@H](C(N)=O)N(C)c1ncc(I)cn1 ZINC000711052356 667448612 /nfs/dbraw/zinc/44/86/12/667448612.db2.gz PMUWBRHROXWABC-YFKPBYRVSA-N 0 0 306.107 0.391 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCSC[C@H]2CCO)nn1 ZINC000711711468 667532092 /nfs/dbraw/zinc/53/20/92/667532092.db2.gz QIIUNHGVYPQEJX-SNVBAGLBSA-N 0 0 303.409 0.274 10 0 DCAERN CC(C)(C)SCC(=O)N1CCC(C(=O)NCCO)CC1 ZINC000711863031 667545951 /nfs/dbraw/zinc/54/59/51/667545951.db2.gz MQGJSYIBVZXSTE-UHFFFAOYSA-N 0 0 302.440 0.865 10 0 DCAERN CCn1cccc1CN1CCN([C@@]2(C(N)=O)CCOC2)CC1 ZINC000886026696 667725628 /nfs/dbraw/zinc/72/56/28/667725628.db2.gz KEZHARCSLDXCMP-INIZCTEOSA-N 0 0 306.410 0.270 10 0 DCAERN Cc1ccncc1CN1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC000886071726 667728735 /nfs/dbraw/zinc/72/87/35/667728735.db2.gz AXJHKZBGACDCNO-MRXNPFEDSA-N 0 0 305.378 0.751 10 0 DCAERN COc1nccnc1CN1CCC[C@@](O)(Cc2nncn2C)C1 ZINC000886088436 667731130 /nfs/dbraw/zinc/73/11/30/667731130.db2.gz GXICYVIZVDNZKL-OAHLLOKOSA-N 0 0 318.381 0.183 10 0 DCAERN COCc1nn(C)cc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cc(C)cn1 ZINC000886094946 667731448 /nfs/dbraw/zinc/73/14/48/667731448.db2.gz ILQMCXSIVKVSDA-IACUBPJLSA-N 0 0 319.365 0.176 10 0 DCAERN C[C@H](O)[C@H](O)CNc1ncc(I)cn1 ZINC000717387667 667743734 /nfs/dbraw/zinc/74/37/34/667743734.db2.gz SZVPKFYTVXJKTF-CAHLUQPWSA-N 0 0 309.107 0.235 10 0 DCAERN C[C@H](O)[C@H](O)CNC(=O)c1cnc(Cl)c(Br)c1 ZINC000717385419 667744229 /nfs/dbraw/zinc/74/42/29/667744229.db2.gz MRCMINYOTBHFKL-YLWLKBPMSA-N 0 0 323.574 0.969 10 0 DCAERN COC(=O)c1ccc(=O)n(CN2CCCC[C@H]2C2OCCO2)n1 ZINC000742149320 667780988 /nfs/dbraw/zinc/78/09/88/667780988.db2.gz IAPNYOGKWZEYMU-LBPRGKRZSA-N 0 0 323.349 0.215 10 0 DCAERN C[C@@H](O)[C@@H](O)CNC(=O)Cc1ccc(Br)cc1F ZINC000717420391 667799626 /nfs/dbraw/zinc/79/96/26/667799626.db2.gz VGZZHLWLANDEAI-HQJQHLMTSA-N 0 0 320.158 0.989 10 0 DCAERN O=C(CN1CCCCCC1=O)N[C@@H]1C[C@@H](O)C12CCOCC2 ZINC000887028668 667840127 /nfs/dbraw/zinc/84/01/27/667840127.db2.gz DOBAANARNBVWEI-CHWSQXEVSA-N 0 0 310.394 0.435 10 0 DCAERN CS(=O)(=O)Nc1cccc(C(=O)N2CCN(C3CC3)CC2)c1 ZINC000124910419 668161006 /nfs/dbraw/zinc/16/10/06/668161006.db2.gz JGTBQQKUCUFVNF-UHFFFAOYSA-N 0 0 323.418 0.978 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)NCc1ccccc1F ZINC000126454662 668598423 /nfs/dbraw/zinc/59/84/23/668598423.db2.gz HGQJYOUEZXPAPC-NSHDSACASA-N 0 0 300.355 0.219 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)nc2)c1 ZINC000126495295 668614160 /nfs/dbraw/zinc/61/41/60/668614160.db2.gz VPMLCLRHTBKXRQ-UHFFFAOYSA-N 0 0 307.741 0.995 10 0 DCAERN CN(C)c1ccc(NC(=O)C[C@@H]2CS(=O)(=O)CCN2)cc1 ZINC000126505501 668615400 /nfs/dbraw/zinc/61/54/00/668615400.db2.gz BQOVWTGQQGSFMA-GFCCVEGCSA-N 0 0 311.407 0.468 10 0 DCAERN CC1(C)CCCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000126812778 668664755 /nfs/dbraw/zinc/66/47/55/668664755.db2.gz DYORGEIMRAXAJS-LBPRGKRZSA-N 0 0 302.440 0.802 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@](C)(COC)C(F)(F)F ZINC000932333853 669350048 /nfs/dbraw/zinc/35/00/48/669350048.db2.gz BJOUZWJESHEQDX-KWQFWETISA-N 0 0 311.304 0.874 10 0 DCAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@H](O)CN1CCCC1=O ZINC000131635820 669675610 /nfs/dbraw/zinc/67/56/10/669675610.db2.gz QJZBPSZVKSCMET-GFCCVEGCSA-N 0 0 320.455 0.115 10 0 DCAERN C[C@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)CCN1CCO ZINC000187256369 669706069 /nfs/dbraw/zinc/70/60/69/669706069.db2.gz PGFBLMZCWQNMIT-ZDUSSCGKSA-N 0 0 315.377 0.406 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1CCO ZINC000187257868 669708419 /nfs/dbraw/zinc/70/84/19/669708419.db2.gz JUDBPVANFFEVJF-CYBMUJFWSA-N 0 0 315.377 0.406 10 0 DCAERN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CN1CCNC(=O)CC1)C2=O ZINC000132379663 669718777 /nfs/dbraw/zinc/71/87/77/669718777.db2.gz MFTURNMITCIOGQ-VXGBXAGGSA-N 0 0 322.409 0.513 10 0 DCAERN CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ncccc1N ZINC000132777609 669746415 /nfs/dbraw/zinc/74/64/15/669746415.db2.gz KERKRXBSUUEBCF-VIFPVBQESA-N 0 0 301.393 0.224 10 0 DCAERN CC(C)Cn1[n-]c(CC(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc1=O ZINC000935732707 669765556 /nfs/dbraw/zinc/76/55/56/669765556.db2.gz VAEKCAYLTQVKAD-JSGCOSHPSA-N 0 0 308.426 0.974 10 0 DCAERN CN1C[C@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)CCC1=O ZINC000133316820 669797886 /nfs/dbraw/zinc/79/78/86/669797886.db2.gz ADOZMOWJGSCORX-LLVKDONJSA-N 0 0 317.324 0.757 10 0 DCAERN CC(C)Cn1ccnc1CNC(=O)N(C)CCS(C)(=O)=O ZINC000074534909 669842335 /nfs/dbraw/zinc/84/23/35/669842335.db2.gz DPNINOOVJXHVGR-UHFFFAOYSA-N 0 0 316.427 0.725 10 0 DCAERN C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000157349887 669921875 /nfs/dbraw/zinc/92/18/75/669921875.db2.gz JUWMNXYDSQURIM-WCQYABFASA-N 0 0 304.346 0.761 10 0 DCAERN CC[C@H]1CN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CCS1 ZINC000157478239 669922553 /nfs/dbraw/zinc/92/25/53/669922553.db2.gz YUKZBEJAWDTKQX-MNOVXSKESA-N 0 0 306.453 0.117 10 0 DCAERN C[C@H](C(=O)Nc1sccc1C(N)=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000190841130 669936136 /nfs/dbraw/zinc/93/61/36/669936136.db2.gz LXGOLMSEQHTZFW-BBBLOLIVSA-N 0 0 311.407 0.734 10 0 DCAERN Cn1cc([C@H]2CCN(Cn3c4cnccc4n(C)c3=O)C2)cn1 ZINC000159950148 669944961 /nfs/dbraw/zinc/94/49/61/669944961.db2.gz ZCERBAVJYGNQAK-LBPRGKRZSA-N 0 0 312.377 0.916 10 0 DCAERN Cc1n[nH]nc1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000188568531 670025818 /nfs/dbraw/zinc/02/58/18/670025818.db2.gz CNTIDWOSDCBDBJ-QMMMGPOBSA-N 0 0 306.351 0.813 10 0 DCAERN C[C@@H]1CN(C(=O)C[C@@H]2CSCCS2)CCN1CCO ZINC000188779603 670046800 /nfs/dbraw/zinc/04/68/00/670046800.db2.gz ZRXHPCNBCUHIIS-VXGBXAGGSA-N 0 0 304.481 0.750 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191825125 670112626 /nfs/dbraw/zinc/11/26/26/670112626.db2.gz XCNACMBJGBLNFA-ZDUSSCGKSA-N 0 0 303.362 0.382 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1nc2ccccn2n1 ZINC000191903528 670113141 /nfs/dbraw/zinc/11/31/41/670113141.db2.gz ZOEKNBNFMNMEEI-LLVKDONJSA-N 0 0 316.365 0.819 10 0 DCAERN COCCOC[C@@H](O)CN1CCO[C@](C)(C(F)(F)F)C1 ZINC000712804787 670150729 /nfs/dbraw/zinc/15/07/29/670150729.db2.gz ZAAQSZGQWBHUKO-QWRGUYRKSA-N 0 0 301.305 0.664 10 0 DCAERN COc1ccc2c(c1)C(=O)N(CN1CCS(=O)(=O)[C@@H](C)C1)C2 ZINC000189739322 670152942 /nfs/dbraw/zinc/15/29/42/670152942.db2.gz WAXDYKVMYSLZCK-NSHDSACASA-N 0 0 324.402 0.727 10 0 DCAERN Cn1cc(CN2CCCN(C)S2(=O)=O)c(Br)n1 ZINC000713859331 670171190 /nfs/dbraw/zinc/17/11/90/670171190.db2.gz LBOILAOJUVUMPP-UHFFFAOYSA-N 0 0 323.216 0.565 10 0 DCAERN CNC(=O)[C@H]1CCCN1Cc1cn(C)nc1Br ZINC000713862741 670171209 /nfs/dbraw/zinc/17/12/09/670171209.db2.gz ZCTFOBBCTLSPAB-SECBINFHSA-N 0 0 301.188 0.893 10 0 DCAERN COC(=O)c1ncn(Cc2cn(C)nc2Br)n1 ZINC000714080321 670176088 /nfs/dbraw/zinc/17/60/88/670176088.db2.gz HXSMWZQRBYHGAP-UHFFFAOYSA-N 0 0 300.116 0.609 10 0 DCAERN Cn1cc(CN2CCN(C)[C@@H](CO)C2)c(Br)n1 ZINC000714082348 670177505 /nfs/dbraw/zinc/17/75/05/670177505.db2.gz OBVLABFOCWVLRY-SNVBAGLBSA-N 0 0 303.204 0.291 10 0 DCAERN Cn1cc(CN2CC[C@H](O)[C@@H](CO)C2)c(Br)n1 ZINC000714082318 670177499 /nfs/dbraw/zinc/17/74/99/670177499.db2.gz NZWMEKASSGZKKA-ZJUUUORDSA-N 0 0 304.188 0.358 10 0 DCAERN O=C(CCCc1cccs1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000714260094 670182962 /nfs/dbraw/zinc/18/29/62/670182962.db2.gz URCBRLGWEYBLIM-UHFFFAOYSA-N 0 0 317.436 0.337 10 0 DCAERN CNc1nc(C(=O)NCC[C@H]2CCCS2(=O)=O)cs1 ZINC000714340778 670184795 /nfs/dbraw/zinc/18/47/95/670184795.db2.gz XQDBJAVWIWQCLF-MRVPVSSYSA-N 0 0 303.409 0.882 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2cccc(Br)n2)C1 ZINC000714461464 670189107 /nfs/dbraw/zinc/18/91/07/670189107.db2.gz XFZLOCYPXJABBZ-UHFFFAOYSA-N 0 0 315.123 0.204 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@H]1CCCS1 ZINC000715907924 670225493 /nfs/dbraw/zinc/22/54/93/670225493.db2.gz FYAPYQRPQVHTHG-SNVBAGLBSA-N 0 0 310.441 0.601 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000716046209 670227578 /nfs/dbraw/zinc/22/75/78/670227578.db2.gz MDBWQWHEVQWONV-PBINXNQUSA-N 0 0 304.437 0.598 10 0 DCAERN CCn1cnc(S(=O)(=O)NC[C@@H](C)CC2(C)OCCO2)c1 ZINC000716003511 670230933 /nfs/dbraw/zinc/23/09/33/670230933.db2.gz WJCJEBXUVUGWKP-NSHDSACASA-N 0 0 317.411 0.971 10 0 DCAERN CC1(C)CN(Cn2cc3[nH]cccc-3c2=O)CCS1(=O)=O ZINC000190281609 670408473 /nfs/dbraw/zinc/40/84/73/670408473.db2.gz KFHNUTSKLCPXKO-UHFFFAOYSA-N 0 0 309.391 0.504 10 0 DCAERN O=C(c1ccn(CC(F)F)n1)N1CCO[C@]2(CCOC2)C1 ZINC000194503061 670435312 /nfs/dbraw/zinc/43/53/12/670435312.db2.gz IRFAVRULHBXKLC-CYBMUJFWSA-N 0 0 301.293 0.780 10 0 DCAERN Cc1c(C(=O)OCCN(C)S(=O)(=O)N(C)C)ccn1C ZINC000194931323 670462492 /nfs/dbraw/zinc/46/24/92/670462492.db2.gz PWVLTMWPXLFMTM-UHFFFAOYSA-N 0 0 303.384 0.229 10 0 DCAERN O=C1OCc2ccc(S(=O)(=O)N3CCN(C4CC4)CC3)cc21 ZINC000195238433 670475226 /nfs/dbraw/zinc/47/52/26/670475226.db2.gz IKXUUKWSHCAQKF-UHFFFAOYSA-N 0 0 322.386 0.826 10 0 DCAERN Cn1ncc2c1nc(N1CCC[C@@H](C3OCCO3)C1)nc2N ZINC000195255528 670476968 /nfs/dbraw/zinc/47/69/68/670476968.db2.gz CYBJFOVOHUSNAF-SECBINFHSA-N 0 0 304.354 0.535 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000190701279 670481372 /nfs/dbraw/zinc/48/13/72/670481372.db2.gz ABKQMKNDAOJCSC-SECBINFHSA-N 0 0 320.305 0.671 10 0 DCAERN NC(=O)c1coc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1 ZINC000190754397 670487977 /nfs/dbraw/zinc/48/79/77/670487977.db2.gz ZBXMVKRLXDBDSN-UHFFFAOYSA-N 0 0 311.301 0.889 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116087371 671003387 /nfs/dbraw/zinc/00/33/87/671003387.db2.gz WMNODQIMKLSWPU-LBPRGKRZSA-N 0 0 322.796 0.515 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ncoc2C)cn1 ZINC000818601570 671035114 /nfs/dbraw/zinc/03/51/14/671035114.db2.gz GXJHVJHQKCXJKY-NWDGAFQWSA-N 0 0 306.322 0.776 10 0 DCAERN COCCCCCOC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000116990667 671148785 /nfs/dbraw/zinc/14/87/85/671148785.db2.gz MPDQLYDEJDTMOX-UHFFFAOYSA-N 0 0 308.338 0.490 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000104910791 672036562 /nfs/dbraw/zinc/03/65/62/672036562.db2.gz FGYQBURJZSNRDD-KGLIPLIRSA-N 0 0 308.403 0.628 10 0 DCAERN Nc1cc(Br)c(F)cc1C(=O)N[C@H]1CNC(=O)C1 ZINC000385490106 1158223720 /nfs/dbraw/zinc/22/37/20/1158223720.db2.gz QDTUPCAXMPDFLZ-RXMQYKEDSA-N 0 0 316.130 0.789 10 0 DCAERN CCOCc1nc(Cl)cc(N2CC[C@@H](O)[C@H](CO)C2)n1 ZINC000396911376 685271657 /nfs/dbraw/zinc/27/16/57/685271657.db2.gz MOEDREFKGHRPMI-VHSXEESVSA-N 0 0 301.774 0.846 10 0 DCAERN CN(CC1CC(O)C1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000519713432 685298290 /nfs/dbraw/zinc/29/82/90/685298290.db2.gz XKQSKXXUKOAYJL-LFGDDXOXSA-N 0 0 322.405 0.290 10 0 DCAERN O=C1CCC(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000719105613 685308429 /nfs/dbraw/zinc/30/84/29/685308429.db2.gz VMNVNFVTRONWJY-LLVKDONJSA-N 0 0 317.407 0.913 10 0 DCAERN CO[C@]1(CNC(=O)N2CCCCCC2)CCS(=O)(=O)C1 ZINC000720915087 685317082 /nfs/dbraw/zinc/31/70/82/685317082.db2.gz PBNKEPAQHRCYMY-ZDUSSCGKSA-N 0 0 304.412 0.776 10 0 DCAERN CC(C)(O)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000721812865 685318856 /nfs/dbraw/zinc/31/88/56/685318856.db2.gz SMZWRMVFFZYRQH-GHMZBOCLSA-N 0 0 304.412 0.030 10 0 DCAERN C#CCNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000029592490 685053315 /nfs/dbraw/zinc/05/33/15/685053315.db2.gz UZTUXZJJQAIFNK-UHFFFAOYSA-N 0 0 305.378 0.991 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)OCC[C@@H]1CCCO1)c2=O ZINC000177952563 685150112 /nfs/dbraw/zinc/15/01/12/685150112.db2.gz RWKFRLFVDCALLY-JTQLQIEISA-N 0 0 306.322 0.242 10 0 DCAERN C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000180214944 685151465 /nfs/dbraw/zinc/15/14/65/685151465.db2.gz GJUZDEGUAAPRAM-JTQLQIEISA-N 0 0 300.380 0.748 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C2(O)CCSCC2)C[C@H]1C ZINC000247184210 685170681 /nfs/dbraw/zinc/17/06/81/685170681.db2.gz JLYPDZFDOWBCQD-NEPJUHHUSA-N 0 0 302.440 0.158 10 0 DCAERN CCOC(=O)c1csc(CN(C)S(=O)(=O)N(C)C)n1 ZINC000378719259 685234058 /nfs/dbraw/zinc/23/40/58/685234058.db2.gz PDRHKHNJSAMEMT-UHFFFAOYSA-N 0 0 307.397 0.558 10 0 DCAERN CN([C@H]1CN2CCC1CC2)S(=O)(=O)c1ncn(C)c1Cl ZINC000380999095 685238624 /nfs/dbraw/zinc/23/86/24/685238624.db2.gz JYLFLOHXRUSRGX-JTQLQIEISA-N 0 0 318.830 0.788 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N(C)c1nnnn1C ZINC000382423442 685240669 /nfs/dbraw/zinc/24/06/69/685240669.db2.gz SNZNDTZQEMLDMN-UHFFFAOYSA-N 0 0 302.747 0.392 10 0 DCAERN CCS(=O)(=O)NCCNC(=O)c1c(N)ccc(F)c1C ZINC000399029869 1157495021 /nfs/dbraw/zinc/49/50/21/1157495021.db2.gz XLYZTOVPXJMAKG-UHFFFAOYSA-N 0 0 303.359 0.385 10 0 DCAERN CCc1cc(C(=O)NC[C@@H](C)S(N)(=O)=O)cc(Cl)n1 ZINC000398289432 1158115177 /nfs/dbraw/zinc/11/51/77/1158115177.db2.gz OVWUFKGECJIKKI-SSDOTTSWSA-N 0 0 305.787 0.704 10 0 DCAERN C[C@@H](NC(=O)c1c(Br)nnn1C)c1csnn1 ZINC000398395467 1158118333 /nfs/dbraw/zinc/11/83/33/1158118333.db2.gz TTXZYRPAFCTEFY-SCSAIBSYSA-N 0 0 317.172 0.920 10 0 DCAERN C[C@@H](CCCCO)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000398558448 1158128106 /nfs/dbraw/zinc/12/81/06/1158128106.db2.gz ZVTSCWIHDCKOEA-QWRGUYRKSA-N 0 0 309.453 0.574 10 0 DCAERN COCC1(O)CN(C(=O)c2ccc(Br)cc2N)C1 ZINC000383962878 1158183237 /nfs/dbraw/zinc/18/32/37/1158183237.db2.gz GDHLRAALJYBSKM-UHFFFAOYSA-N 0 0 315.167 0.865 10 0 DCAERN O=C(NC[C@@H](O)CO)c1cc(Cl)ncc1Br ZINC000309208454 1158191394 /nfs/dbraw/zinc/19/13/94/1158191394.db2.gz GNPNMHJUKWXCQE-RXMQYKEDSA-N 0 0 309.547 0.581 10 0 DCAERN CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)[C@H](O)C2)c1CC ZINC000090147016 1175384293 /nfs/dbraw/zinc/38/42/93/1175384293.db2.gz UCQBUQWBUSEYIP-IINYFYTJSA-N 0 0 322.409 0.807 10 0 DCAERN CC(=O)N1CCC(CCNC(=O)CCCn2ccnn2)CC1 ZINC000094084443 1175696595 /nfs/dbraw/zinc/69/65/95/1175696595.db2.gz GOZVGQKQQFIDDX-UHFFFAOYSA-N 0 0 307.398 0.823 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2sc3ncccc3c2N)C1=O ZINC000116764421 1176524162 /nfs/dbraw/zinc/52/41/62/1176524162.db2.gz PBFOMYSNZAIATC-ZETCQYMHSA-N 0 0 304.331 0.366 10 0 DCAERN Cc1cc(=O)c(C(=O)NCCNC(=O)c2ccccc2O)c[nH]1 ZINC000153821337 1180550427 /nfs/dbraw/zinc/55/04/27/1180550427.db2.gz KINGWPBXDQCMOC-UHFFFAOYSA-N 0 0 315.329 0.549 10 0 DCAERN Cc1cc(CN2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)on1 ZINC000160247770 1180682057 /nfs/dbraw/zinc/68/20/57/1180682057.db2.gz CCJYRDYVHVQBNB-GFCCVEGCSA-N 0 0 307.350 0.580 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000246158745 1183005275 /nfs/dbraw/zinc/00/52/75/1183005275.db2.gz VKEFIVCEDJUPQG-ULMHFPJVSA-N 0 0 316.361 0.949 10 0 DCAERN Cc1ccc(OCC(=O)NCCNC(=O)[C@H]2CCCO2)cc1 ZINC000169842449 1183610197 /nfs/dbraw/zinc/61/01/97/1183610197.db2.gz JVXLSNPIWYAQDN-CQSZACIVSA-N 0 0 306.362 0.785 10 0 DCAERN O=C(Nc1ccc(-n2cncn2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000171625571 1183756938 /nfs/dbraw/zinc/75/69/38/1183756938.db2.gz WFVQONLJJWRQRX-GFCCVEGCSA-N 0 0 315.333 0.501 10 0 DCAERN CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC000176669921 1184214831 /nfs/dbraw/zinc/21/48/31/1184214831.db2.gz DXOHHKLHTLWVEL-JQWIXIFHSA-N 0 0 304.412 0.042 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000176942753 1184223801 /nfs/dbraw/zinc/22/38/01/1184223801.db2.gz WWDOWFZVRJMAPQ-HUUCEWRRSA-N 0 0 316.361 0.838 10 0 DCAERN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc21 ZINC000177806907 1184298158 /nfs/dbraw/zinc/29/81/58/1184298158.db2.gz SSKVHGNKAGGOMA-QWRGUYRKSA-N 0 0 301.350 0.592 10 0 DCAERN COCC1=CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC000187691852 1187518808 /nfs/dbraw/zinc/51/88/08/1187518808.db2.gz XHDQXPIECVOZPK-UHFFFAOYSA-N 0 0 301.368 0.393 10 0 DCAERN CNS(=O)(=O)CCNC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC000187861188 1187568156 /nfs/dbraw/zinc/56/81/56/1187568156.db2.gz LLXUWJJAEHVSJU-JTQLQIEISA-N 0 0 319.452 0.870 10 0 DCAERN NC(=O)c1ccc(CNC(=O)Cn2nnc3ccccc32)cc1 ZINC000193560844 1188062276 /nfs/dbraw/zinc/06/22/76/1188062276.db2.gz VXAVVLCWWFZQFN-UHFFFAOYSA-N 0 0 309.329 0.847 10 0 DCAERN C[C@@H]1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@H]1O ZINC000299909190 1188356023 /nfs/dbraw/zinc/35/60/23/1188356023.db2.gz WLWHEYLDOLLLJD-GMTAPVOTSA-N 0 0 307.437 0.136 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](NC(=O)c2cccc(F)c2N)C1 ZINC000400263394 1189987075 /nfs/dbraw/zinc/98/70/75/1189987075.db2.gz TZDAYBKLAGIFSE-MRVPVSSYSA-N 0 0 301.343 0.172 10 0 DCAERN CCC[C@@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307891969 1190383821 /nfs/dbraw/zinc/38/38/21/1190383821.db2.gz KNQCMGAFIQAAGJ-SECBINFHSA-N 0 0 300.380 0.563 10 0 DCAERN CCOC(=O)c1ncc(C(=O)NCCNC(=O)OC)s1 ZINC000308109190 1190386994 /nfs/dbraw/zinc/38/69/94/1190386994.db2.gz KPDTVFLRPWODGP-UHFFFAOYSA-N 0 0 301.324 0.406 10 0 DCAERN CCNC(=O)NCCNS(=O)(=O)c1cc(N)ccc1C ZINC000381121017 1190699104 /nfs/dbraw/zinc/69/91/04/1190699104.db2.gz GHVPEGLHGVOJPS-UHFFFAOYSA-N 0 0 300.384 0.175 10 0 DCAERN Cc1noc(C)c1CCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000391448034 1190700875 /nfs/dbraw/zinc/70/08/75/1190700875.db2.gz IZBZAHRYXMZLCR-HNNXBMFYSA-N 0 0 320.349 0.425 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC000588613461 747534314 /nfs/dbraw/zinc/53/43/14/747534314.db2.gz SDWZVJUPFKBVHU-QQHVMHFCSA-N 0 0 305.309 0.975 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000179614286 747602196 /nfs/dbraw/zinc/60/21/96/747602196.db2.gz BRDWQZWOZBDIPC-OFQRWUPVSA-N 0 0 306.362 0.967 10 0 DCAERN COCCN1CCCN(c2nc(C)nc3c2cnn3C)CC1=O ZINC000190418071 762149820 /nfs/dbraw/zinc/14/98/20/762149820.db2.gz OKQQGCUKXJMSHM-UHFFFAOYSA-N 0 0 318.381 0.357 10 0 DCAERN NC(=O)NC(=O)CN1CCc2nccc(Br)c2C1 ZINC000585141123 766295111 /nfs/dbraw/zinc/29/51/11/766295111.db2.gz PQFVZBSAXCBIAQ-UHFFFAOYSA-N 0 0 313.155 0.397 10 0 DCAERN O=S(=O)(c1cccnc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000401804737 768586793 /nfs/dbraw/zinc/58/67/93/768586793.db2.gz BBBBRSJNDVZWRX-VIFPVBQESA-N 0 0 314.260 0.909 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)OCCCc1cccnc1 ZINC000175512676 773836769 /nfs/dbraw/zinc/83/67/69/773836769.db2.gz FGKWLVMOYIJEMQ-UHFFFAOYSA-N 0 0 300.380 0.839 10 0 DCAERN COc1ncc(S(=O)(=O)N2CCC[C@@](CO)(OC)C2)s1 ZINC000401879147 774069854 /nfs/dbraw/zinc/06/98/54/774069854.db2.gz HBNVVZZMNCRKLQ-LLVKDONJSA-N 0 0 322.408 0.314 10 0 DCAERN O=C(NCCn1cncn1)c1nscc1Br ZINC000404815884 774142205 /nfs/dbraw/zinc/14/22/05/774142205.db2.gz PTHUZGXQIQJJKR-UHFFFAOYSA-N 0 0 302.157 0.927 10 0 DCAERN CCOC(CC(=O)N1CCC[C@H](S(C)(=O)=O)C1)OCC ZINC000407412418 774262037 /nfs/dbraw/zinc/26/20/37/774262037.db2.gz WIYPJGDAZJULGU-NSHDSACASA-N 0 0 307.412 0.811 10 0 DCAERN C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])co3)C[C@H]21 ZINC000694228211 976685781 /nfs/dbraw/zinc/68/57/81/976685781.db2.gz ABKLOMWPEXFAAD-JZYVYDRUSA-N 0 0 300.336 0.158 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc2c(c1)nnn2C ZINC000408167308 290627049 /nfs/dbraw/zinc/62/70/49/290627049.db2.gz XGRMNPOLZNZXNW-IUCAKERBSA-N 0 0 302.338 0.089 10 0 DCAERN C[C@H]1CN([C@@H](CNS(N)(=O)=O)c2cccs2)CCO1 ZINC000175223954 300291865 /nfs/dbraw/zinc/29/18/65/300291865.db2.gz QPNYAHRSPFNPSV-UWVGGRQHSA-N 0 0 305.425 0.303 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)C[C@H](C)O1 ZINC000173138117 529400128 /nfs/dbraw/zinc/40/01/28/529400128.db2.gz YIMMUJDHYSYUFI-ZDEQEGDKSA-N 0 0 306.428 0.840 10 0 DCAERN c1cn(CCCNc2nccc(N[C@H]3CCCOC3)n2)cn1 ZINC000328653554 231290802 /nfs/dbraw/zinc/29/08/02/231290802.db2.gz WXRNWDOWEQTHAL-ZDUSSCGKSA-N 0 0 302.382 0.610 10 0 DCAERN CCc1cnc(CCNC(=O)NCCS(=O)(=O)NC)s1 ZINC000187586248 529639128 /nfs/dbraw/zinc/63/91/28/529639128.db2.gz TWVJRCUQMUGHAM-UHFFFAOYSA-N 0 0 320.440 0.096 10 0 DCAERN O=C(NC[C@@H](O)CN1CCOCC1)c1scnc1C1CC1 ZINC000090022837 185278638 /nfs/dbraw/zinc/27/86/38/185278638.db2.gz QVVYCGCWYBKTFA-LLVKDONJSA-N 0 0 311.407 0.443 10 0 DCAERN Nc1nc2ncn(CCC[C@@H](O)c3cccnc3)c2c(=O)[nH]1 ZINC000090696983 185309742 /nfs/dbraw/zinc/30/97/42/185309742.db2.gz JOBIVXBJHZSKJO-SNVBAGLBSA-N 0 0 300.322 0.611 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)CSCC(F)(F)F)C1 ZINC000090634447 185307476 /nfs/dbraw/zinc/30/74/76/185307476.db2.gz RGQVJFPAEBXYIY-ZETCQYMHSA-N 0 0 320.358 0.432 10 0 DCAERN CCc1cccc(C)c1NC(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092421594 185317081 /nfs/dbraw/zinc/31/70/81/185317081.db2.gz FTEDUBAJKIBRLK-CYBMUJFWSA-N 0 0 305.378 0.682 10 0 DCAERN NC(=O)c1cccc(S(=O)(=O)N2CCCSCC2)c1 ZINC000096997644 185395605 /nfs/dbraw/zinc/39/56/05/185395605.db2.gz FNAXHMQYKQMDIF-UHFFFAOYSA-N 0 0 300.405 0.913 10 0 DCAERN Cc1cn2c(ncc(C(=O)NCc3noc(C)n3)c2=O)s1 ZINC000092942755 185350217 /nfs/dbraw/zinc/35/02/17/185350217.db2.gz BHAOCAPNBUEGCN-UHFFFAOYSA-N 0 0 305.319 0.686 10 0 DCAERN Cc1ccc(C)c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000181410711 199292841 /nfs/dbraw/zinc/29/28/41/199292841.db2.gz QCGLWGMBPFHNHD-JQWIXIFHSA-N 0 0 304.389 0.235 10 0 DCAERN Cc1ccc(C(=O)N2CCN(c3cncc4ncnn43)CC2)o1 ZINC000272784828 210188105 /nfs/dbraw/zinc/18/81/05/210188105.db2.gz BGNDFHGDJUTFBZ-UHFFFAOYSA-N 0 0 312.333 0.988 10 0 DCAERN CNC(=O)Cn1cc(NS(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000172887011 529877235 /nfs/dbraw/zinc/87/72/35/529877235.db2.gz MVVYZYUDUYYWOX-JTQLQIEISA-N 0 0 315.399 0.018 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCC(=O)Nc1ccccc1)C(C)C ZINC000178397280 529919452 /nfs/dbraw/zinc/91/94/52/529919452.db2.gz DROGGASCWUKHOX-CYBMUJFWSA-N 0 0 306.366 0.695 10 0 DCAERN CN(C)c1noc(CN2CCN(C(=O)C3CC3)CC2(C)C)n1 ZINC000407952949 282332585 /nfs/dbraw/zinc/33/25/85/282332585.db2.gz AXASKITUJUNYKV-UHFFFAOYSA-N 0 0 307.398 0.968 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(c2nccnc2OC(C)C)C1 ZINC000302166797 530024229 /nfs/dbraw/zinc/02/42/29/530024229.db2.gz RUIUUVKMNIFTDQ-JTQLQIEISA-N 0 0 300.384 0.392 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2c(C)noc2C)CC1 ZINC000181727702 199344932 /nfs/dbraw/zinc/34/49/32/199344932.db2.gz SRTRPNVGNUWXGQ-CQSZACIVSA-N 0 0 324.425 0.932 10 0 DCAERN C[C@@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)N1CCSCC1 ZINC000328937635 295742263 /nfs/dbraw/zinc/74/22/63/295742263.db2.gz JVDPDDKWUCVLED-QWRGUYRKSA-N 0 0 306.453 0.069 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)COCc1ccnn1C ZINC000286796108 219169887 /nfs/dbraw/zinc/16/98/87/219169887.db2.gz NZFPXSYYWMRGDP-KYOSRNDESA-N 0 0 321.377 0.737 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C)CC1 ZINC000070284749 190877698 /nfs/dbraw/zinc/87/76/98/190877698.db2.gz XNEQQTGAXICJFO-UHFFFAOYSA-N 0 0 316.379 0.619 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N(C)CC(C)(CO)CO)cc1 ZINC000279963233 215275263 /nfs/dbraw/zinc/27/52/63/215275263.db2.gz TVDJXFFVEMHLLZ-UHFFFAOYSA-N 0 0 308.378 0.732 10 0 DCAERN CCc1nc2c(ncnc2N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)o1 ZINC000072125357 191041265 /nfs/dbraw/zinc/04/12/65/191041265.db2.gz LBQXNKQJFSHYLZ-VLEAKVRGSA-N 0 0 304.350 0.748 10 0 DCAERN Nc1ncnc2c1nc(C(F)(F)F)n2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000145181890 186036611 /nfs/dbraw/zinc/03/66/11/186036611.db2.gz ZKJJQTAJLYSECT-KVQBGUIXSA-N 0 0 319.243 0.068 10 0 DCAERN CN(C)C(=O)CCCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000171182579 197893296 /nfs/dbraw/zinc/89/32/96/197893296.db2.gz WQHZNUDHHMONPF-UHFFFAOYSA-N 0 0 311.357 0.986 10 0 DCAERN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1nc(N)nc(N)n1 ZINC000173298268 186174042 /nfs/dbraw/zinc/17/40/42/186174042.db2.gz COUXMWAYXITAGH-CMPLNLGQSA-N 0 0 300.366 0.998 10 0 DCAERN Cn1cc(NS(=O)(=O)C[C@H]2CCCO2)cc(Cl)c1=O ZINC000177885247 186198803 /nfs/dbraw/zinc/19/88/03/186198803.db2.gz WEVYPUJIYPZOCR-SECBINFHSA-N 0 0 306.771 0.959 10 0 DCAERN COc1c(C)cc(C(=O)NC[C@H](O)CN2CCOCC2)cc1C ZINC000179730956 186211635 /nfs/dbraw/zinc/21/16/35/186211635.db2.gz FABVIKYWULSQIV-HNNXBMFYSA-N 0 0 322.405 0.735 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000179686465 186205325 /nfs/dbraw/zinc/20/53/25/186205325.db2.gz HAIDHIMVOOKUKL-CYBMUJFWSA-N 0 0 310.375 0.050 10 0 DCAERN CC(=O)NCCNC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171530252 197937745 /nfs/dbraw/zinc/93/77/45/197937745.db2.gz USXPCDPHLAUBPX-GFCCVEGCSA-N 0 0 309.370 0.478 10 0 DCAERN CC(=O)N1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000265996732 186353318 /nfs/dbraw/zinc/35/33/18/186353318.db2.gz JPJUQFBYJWOGHJ-UHFFFAOYSA-N 0 0 312.373 0.960 10 0 DCAERN C[C@H](NC(=O)N1CCO[C@H](c2nccs2)C1)C(=O)N(C)C ZINC000171901609 198005412 /nfs/dbraw/zinc/00/54/12/198005412.db2.gz QFHJRTJRXPKRAJ-UWVGGRQHSA-N 0 0 312.395 0.703 10 0 DCAERN CNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000172023621 198027868 /nfs/dbraw/zinc/02/78/68/198027868.db2.gz WLZAGYHKZZRMEA-LBPRGKRZSA-N 0 0 323.368 0.986 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCOC2)[C@@H]1c1cccnc1 ZINC000172130821 198043809 /nfs/dbraw/zinc/04/38/09/198043809.db2.gz DNBGCHZKVLRTSJ-IPYPFGDCSA-N 0 0 303.362 0.896 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172114847 198041721 /nfs/dbraw/zinc/04/17/21/198041721.db2.gz KKYPJADXZQEEKJ-LBPRGKRZSA-N 0 0 307.398 0.834 10 0 DCAERN O=C(c1cc([C@H]2CCCCN2CCO)[nH]n1)N1CCOCC1 ZINC000072380451 191142398 /nfs/dbraw/zinc/14/23/98/191142398.db2.gz FAVYQNAKXJCMNY-CQSZACIVSA-N 0 0 308.382 0.401 10 0 DCAERN CC(=O)NC[C@H]1CN(C(=O)NCCc2ccsc2)CCO1 ZINC000172273776 198069278 /nfs/dbraw/zinc/06/92/78/198069278.db2.gz WKURHEMYRQRKSB-ZDUSSCGKSA-N 0 0 311.407 0.837 10 0 DCAERN CCNS(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000172457102 198099016 /nfs/dbraw/zinc/09/90/16/198099016.db2.gz QNVZIQGYKVWEAH-LBPRGKRZSA-N 0 0 302.400 0.055 10 0 DCAERN COCCOC(=O)c1nnc2nc(C(F)(F)F)nn2c1C ZINC000072452963 191171763 /nfs/dbraw/zinc/17/17/63/191171763.db2.gz MYJIWNPUSCWDJL-UHFFFAOYSA-N 0 0 305.216 0.650 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1nc(-c3ccccc3)nn12 ZINC000072462358 191172163 /nfs/dbraw/zinc/17/21/63/191172163.db2.gz YHQVPPHUJUTINR-UHFFFAOYSA-N 0 0 323.316 0.789 10 0 DCAERN O=C(Nn1ccc2c(nnc3ncnn32)c1=O)c1ccccc1 ZINC000072466655 191174020 /nfs/dbraw/zinc/17/40/20/191174020.db2.gz IILHUIYSSOLELM-UHFFFAOYSA-N 0 0 307.273 0.218 10 0 DCAERN Cc1c(F)cccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000072610241 191201611 /nfs/dbraw/zinc/20/16/11/191201611.db2.gz ZXPPNPYTKMHWFK-LLVKDONJSA-N 0 0 323.368 0.910 10 0 DCAERN C[C@@H](C(=O)NCC(F)(F)F)N1CCC(C(=O)N(C)C)CC1 ZINC000072554088 191192027 /nfs/dbraw/zinc/19/20/27/191192027.db2.gz WKPSCJFKPPJFQK-VIFPVBQESA-N 0 0 309.332 0.854 10 0 DCAERN CCN(C)S(=O)(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000072677010 191212692 /nfs/dbraw/zinc/21/26/92/191212692.db2.gz ORWZOWFOXLIUJS-ZDUSSCGKSA-N 0 0 307.460 0.519 10 0 DCAERN O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H]1CSC(=O)N1 ZINC000172799184 198151559 /nfs/dbraw/zinc/15/15/59/198151559.db2.gz FIASYTOKLZAACJ-PRWKNARSSA-N 0 0 312.416 0.877 10 0 DCAERN O=C(N[C@H]1CCCOC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000173163012 198191217 /nfs/dbraw/zinc/19/12/17/198191217.db2.gz HMICWULNWOSQMK-KBPBESRZSA-N 0 0 316.357 0.801 10 0 DCAERN Cc1nsc(N2CCCN(C(=O)[C@@H]3CNC(=O)C3)CC2)n1 ZINC000173359449 198206875 /nfs/dbraw/zinc/20/68/75/198206875.db2.gz YWSUQPOIZNDUFX-JTQLQIEISA-N 0 0 309.395 0.021 10 0 DCAERN CCCCS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000075017615 282866548 /nfs/dbraw/zinc/86/65/48/282866548.db2.gz XEZIJHSTTNNMED-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000173763078 198248990 /nfs/dbraw/zinc/24/89/90/198248990.db2.gz RXBNGMKWTIUNOF-OLZOCXBDSA-N 0 0 318.826 0.997 10 0 DCAERN CC(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nn1C ZINC000174246714 198309748 /nfs/dbraw/zinc/30/97/48/198309748.db2.gz ZZWUVDGXIGFEQL-JTQLQIEISA-N 0 0 314.411 0.307 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)N[C@H]1CC2CCC1CC2 ZINC000312816493 291015115 /nfs/dbraw/zinc/01/51/15/291015115.db2.gz MFFHYFCEOUGIAN-MCIGGMRASA-N 0 0 304.412 0.894 10 0 DCAERN COC(=O)CNc1cnc2cc(S(=O)(=O)N(C)C)ccc2n1 ZINC000073737603 191349562 /nfs/dbraw/zinc/34/95/62/191349562.db2.gz ZCDNAXGFFDKEFP-UHFFFAOYSA-N 0 0 324.362 0.465 10 0 DCAERN CN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014539 283121647 /nfs/dbraw/zinc/12/16/47/283121647.db2.gz IAMSSWBHTQAJAF-JSGCOSHPSA-N 0 0 320.784 0.888 10 0 DCAERN Cc1c([C@H](C)NC(=O)N2CCO[C@@]3(CCOC3)C2)cnn1C ZINC000184410863 199713889 /nfs/dbraw/zinc/71/38/89/199713889.db2.gz CXFUGHVLSGHOJV-NHYWBVRUSA-N 0 0 308.382 0.990 10 0 DCAERN O=C(NCCNC(=O)c1ccco1)N[C@H]1CCCC[C@H]1CO ZINC000081475684 192273339 /nfs/dbraw/zinc/27/33/39/192273339.db2.gz JPSHHSAIIOYZSD-RYUDHWBXSA-N 0 0 309.366 0.860 10 0 DCAERN CN1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1=O ZINC000408236337 283184474 /nfs/dbraw/zinc/18/44/74/283184474.db2.gz MOECTSSNCZRUGO-UHFFFAOYSA-N 0 0 316.361 0.482 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CCC(=O)CC2)[C@H]1c1cccnc1 ZINC000272258778 209640948 /nfs/dbraw/zinc/64/09/48/209640948.db2.gz MMYAYMFLPTWKAE-DZGCQCFKSA-N 0 0 301.346 0.793 10 0 DCAERN C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000177791663 198777310 /nfs/dbraw/zinc/77/73/10/198777310.db2.gz BSUTWXSXHFYNOQ-WDEREUQCSA-N 0 0 317.349 0.339 10 0 DCAERN Cc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCOC3)CC2=O)cc1 ZINC000178944097 198958265 /nfs/dbraw/zinc/95/82/65/198958265.db2.gz DNPOMEXVIHABBB-DYVFJYSZSA-N 0 0 318.373 0.616 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccnnc3)C2=O)n(C)n1 ZINC000178997671 198966811 /nfs/dbraw/zinc/96/68/11/198966811.db2.gz PXXSTLKCDUZGQX-LBPRGKRZSA-N 0 0 314.349 0.444 10 0 DCAERN CC(C)n1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)n1 ZINC000179281239 199010001 /nfs/dbraw/zinc/01/00/01/199010001.db2.gz JPPGIKMQMCACON-UHFFFAOYSA-N 0 0 305.382 0.980 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccc(CO)c2)CCS1(=O)=O ZINC000179323366 199015745 /nfs/dbraw/zinc/01/57/45/199015745.db2.gz UHCAKSLFBLRBEA-NSHDSACASA-N 0 0 312.391 0.507 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NC[C@@H](O)CC(C)(C)C)cn1 ZINC000179453815 199038122 /nfs/dbraw/zinc/03/81/22/199038122.db2.gz VYGZHWSGVMQDBO-NSHDSACASA-N 0 0 311.386 0.548 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)c2c(C)nn(C)c2C)CC1 ZINC000179400858 199029449 /nfs/dbraw/zinc/02/94/49/199029449.db2.gz WMJZMHBOQHHILT-ZDUSSCGKSA-N 0 0 322.409 0.135 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc2[nH]ccc21 ZINC000179817672 199083979 /nfs/dbraw/zinc/08/39/79/199083979.db2.gz WXCYAHOAWIWVHJ-LBPRGKRZSA-N 0 0 318.377 0.983 10 0 DCAERN CCn1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c2ccccc21 ZINC000180197506 199129268 /nfs/dbraw/zinc/12/92/68/199129268.db2.gz NVDUWYJETNEQLM-CQSZACIVSA-N 0 0 301.346 0.988 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)COc1cccc2ccccc21 ZINC000180270487 199139770 /nfs/dbraw/zinc/13/97/70/199139770.db2.gz OOGYBGRDSZSQCP-AWEZNQCLSA-N 0 0 314.341 0.931 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)CCO1 ZINC000180397484 199153382 /nfs/dbraw/zinc/15/33/82/199153382.db2.gz JHZBGTBXOLUGFV-JTQLQIEISA-N 0 0 315.333 0.658 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000180533598 199172503 /nfs/dbraw/zinc/17/25/03/199172503.db2.gz MLHQSIWUUXQVRJ-SNVBAGLBSA-N 0 0 302.334 0.902 10 0 DCAERN COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1-n1cnnn1 ZINC000180643050 199189627 /nfs/dbraw/zinc/18/96/27/199189627.db2.gz PWDGPZFIVAOHFT-GWCFXTLKSA-N 0 0 317.349 0.968 10 0 DCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccnn2C(C)(C)C)c1 ZINC000180685644 199196389 /nfs/dbraw/zinc/19/63/89/199196389.db2.gz QQMUABDBWYVITO-UHFFFAOYSA-N 0 0 318.381 0.898 10 0 DCAERN Cn1cnc2cc(C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)cnc21 ZINC000180845065 199217147 /nfs/dbraw/zinc/21/71/47/199217147.db2.gz XISGVODEHKKBHW-QWRGUYRKSA-N 0 0 301.350 0.742 10 0 DCAERN COC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000181052197 199245473 /nfs/dbraw/zinc/24/54/73/199245473.db2.gz IMXJJYVLGXMFOY-JTQLQIEISA-N 0 0 317.411 0.382 10 0 DCAERN C[C@@H](CO)N(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000367241559 295975853 /nfs/dbraw/zinc/97/58/53/295975853.db2.gz YLFCQNVUDMETFP-PGUXBMHVSA-N 0 0 311.382 0.326 10 0 DCAERN NC(=O)c1cncc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 ZINC000301975668 283389191 /nfs/dbraw/zinc/38/91/91/283389191.db2.gz LRQZHCPNXCXYRK-GXFFZTMASA-N 0 0 315.377 0.555 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373626889 283415771 /nfs/dbraw/zinc/41/57/71/283415771.db2.gz DWTPZDMGGXRQEB-CQSZACIVSA-N 0 0 319.423 0.608 10 0 DCAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000172668761 237146807 /nfs/dbraw/zinc/14/68/07/237146807.db2.gz WIEZFRXVSAALGZ-OKILXGFUSA-N 0 0 319.409 0.234 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)N1CCCCC1 ZINC000172595070 237149697 /nfs/dbraw/zinc/14/96/97/237149697.db2.gz MQWIRDDITQOQQL-RWMBFGLXSA-N 0 0 324.425 0.731 10 0 DCAERN COc1ccc2c(c1)N(C[C@H](O)CN1CCOCC1)CCO2 ZINC000174121703 237167091 /nfs/dbraw/zinc/16/70/91/237167091.db2.gz BXMWXCNERHHDCU-CYBMUJFWSA-N 0 0 308.378 0.587 10 0 DCAERN Cc1nc(C)c(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)nc1C ZINC000184985027 237294326 /nfs/dbraw/zinc/29/43/26/237294326.db2.gz GRJNQGWWLSSVRX-LBPRGKRZSA-N 0 0 306.366 0.067 10 0 DCAERN C[C@@H](C(=O)NCc1ccccc1F)N1CCN(CCO)[C@H](C)C1 ZINC000187676179 237353446 /nfs/dbraw/zinc/35/34/46/237353446.db2.gz XWJCGOHXNBQCBO-KGLIPLIRSA-N 0 0 323.412 0.829 10 0 DCAERN COC(=O)[C@]1(C)CCCN1C(=O)c1cnc2ccccn2c1=O ZINC000187634052 200137206 /nfs/dbraw/zinc/13/72/06/200137206.db2.gz TVWSNTHWANOSQC-INIZCTEOSA-N 0 0 315.329 0.862 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2cc(F)ccc2F)CCN1CCO ZINC000187658285 200140967 /nfs/dbraw/zinc/14/09/67/200140967.db2.gz QSVNBLQSGSXXDV-NSHDSACASA-N 0 0 313.348 0.902 10 0 DCAERN COCCOc1ccccc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188774915 237380585 /nfs/dbraw/zinc/38/05/85/237380585.db2.gz UFNCDFHPMCTCIH-AWEZNQCLSA-N 0 0 322.405 0.850 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CCC1=O ZINC000189044552 237387762 /nfs/dbraw/zinc/38/77/62/237387762.db2.gz FBYYGKWYXZIYSL-LLVKDONJSA-N 0 0 324.402 0.988 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N(C[C@@H](C)O)[C@H](C)CO)cnc12 ZINC000189265769 237395892 /nfs/dbraw/zinc/39/58/92/237395892.db2.gz WZSBINAHELEYQX-VXGBXAGGSA-N 0 0 319.361 0.207 10 0 DCAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000189339506 237396489 /nfs/dbraw/zinc/39/64/89/237396489.db2.gz NZAPGZDELLVUJC-YPMHNXCESA-N 0 0 318.439 0.684 10 0 DCAERN COC[C@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@H](C)O1 ZINC000188268549 200219431 /nfs/dbraw/zinc/21/94/31/200219431.db2.gz CMEWIDWVLLSROI-UONOGXRCSA-N 0 0 320.389 0.987 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCN1CCO ZINC000188720359 200293138 /nfs/dbraw/zinc/29/31/38/200293138.db2.gz YVIUJTUHKQTZKK-SNVBAGLBSA-N 0 0 320.361 0.652 10 0 DCAERN Cc1ccc(C(=O)N(C)C)cc1OC[C@@H](O)CN1CCOCC1 ZINC000154353530 291213290 /nfs/dbraw/zinc/21/32/90/291213290.db2.gz RLVQEJOKRYOWHP-HNNXBMFYSA-N 0 0 322.405 0.769 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NCCC(=O)N1CCCCCC1 ZINC000263684074 296008963 /nfs/dbraw/zinc/00/89/63/296008963.db2.gz FJRYUGRTROWATE-ZDUSSCGKSA-N 0 0 322.413 0.759 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCC(=O)NC1CCCCC1 ZINC000155774370 291221652 /nfs/dbraw/zinc/22/16/52/291221652.db2.gz HOTFEFGOTJJNKC-UHFFFAOYSA-N 0 0 318.377 0.377 10 0 DCAERN CC(C)(C)n1ncn(CC(=O)NC(=O)NC2CCCC2)c1=O ZINC000155774379 291222083 /nfs/dbraw/zinc/22/20/83/291222083.db2.gz RMEVSJKRNJNHTP-UHFFFAOYSA-N 0 0 309.370 0.568 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cccc(-n2ccnn2)c1 ZINC000157689975 291229179 /nfs/dbraw/zinc/22/91/79/291229179.db2.gz KIWWUACCNKVDNU-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)cc(=O)[nH]1 ZINC000276511642 238322726 /nfs/dbraw/zinc/32/27/26/238322726.db2.gz CJSDJOFQVARQHP-CYBMUJFWSA-N 0 0 315.377 0.958 10 0 DCAERN OCc1ccc(CN2CCN(c3cncc4ncnn43)CC2)o1 ZINC000275864486 238311313 /nfs/dbraw/zinc/31/13/13/238311313.db2.gz XUAOCMIOQFLHQH-UHFFFAOYSA-N 0 0 314.349 0.532 10 0 DCAERN CN(C)c1ncc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)cn1 ZINC000163835372 291246986 /nfs/dbraw/zinc/24/69/86/291246986.db2.gz IUBDRJPLDKIIJN-LLVKDONJSA-N 0 0 303.366 0.954 10 0 DCAERN Cn1cc([C@@H](CO)NC(=O)N[C@@H]2CCCc3nn(C)cc32)cn1 ZINC000566725740 291319960 /nfs/dbraw/zinc/31/99/60/291319960.db2.gz TVDNUDDAJXSLDN-TZMCWYRMSA-N 0 0 318.381 0.564 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408317805 291335221 /nfs/dbraw/zinc/33/52/21/291335221.db2.gz XTTDWTYGMDENPO-RNJOBUHISA-N 0 0 319.423 0.751 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000567122185 291338674 /nfs/dbraw/zinc/33/86/74/291338674.db2.gz ABTPPHXGWIWBIW-GFCCVEGCSA-N 0 0 303.318 0.156 10 0 DCAERN COC(=O)CNC(=O)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000171238639 283839214 /nfs/dbraw/zinc/83/92/14/283839214.db2.gz RZBGFJYXLACVDY-GXTWGEPZSA-N 0 0 306.362 0.738 10 0 DCAERN C[C@H](CO[C@H]1CCOC1)NC(=O)NC[C@H](O)C(F)(F)F ZINC000441687408 240531926 /nfs/dbraw/zinc/53/19/26/240531926.db2.gz LPWDBQHPHNMENM-VGMNWLOBSA-N 0 0 300.277 0.403 10 0 DCAERN COc1cccc(C[C@@H](O)C(=O)N2CC(n3ccnn3)C2)c1 ZINC000442801536 240549345 /nfs/dbraw/zinc/54/93/45/240549345.db2.gz MURHAECZDOWICH-CQSZACIVSA-N 0 0 302.334 0.274 10 0 DCAERN Cc1ccc(S(=O)(=O)CCCN2CCNC(=O)CC2)cc1 ZINC000091555677 193072469 /nfs/dbraw/zinc/07/24/69/193072469.db2.gz KFBIUPRHPXMYSH-UHFFFAOYSA-N 0 0 310.419 0.981 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000091489734 193063417 /nfs/dbraw/zinc/06/34/17/193063417.db2.gz KNNNKZLZJOIPQJ-HWOCKDDLSA-N 0 0 308.300 0.627 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091780880 193106994 /nfs/dbraw/zinc/10/69/94/193106994.db2.gz JQVOQWKFEKVZDK-ZDUSSCGKSA-N 0 0 318.308 0.542 10 0 DCAERN COc1cccc(/C(C)=C/C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000091785207 193107428 /nfs/dbraw/zinc/10/74/28/193107428.db2.gz WZGDFRUHKLZLPS-ZHZWZMEUSA-N 0 0 304.346 0.811 10 0 DCAERN COCCN1CCN(Cc2cnn(-c3ccccc3)n2)CC1=O ZINC000091831961 193114072 /nfs/dbraw/zinc/11/40/72/193114072.db2.gz KPKRKMDOVFKTSA-UHFFFAOYSA-N 0 0 315.377 0.558 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2ccnc(C(N)=O)c2)CC1 ZINC000489938611 241103152 /nfs/dbraw/zinc/10/31/52/241103152.db2.gz NPEAETFWYLXHFQ-UHFFFAOYSA-N 0 0 306.366 0.254 10 0 DCAERN CCNC(=O)NCCNC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000457825253 241041150 /nfs/dbraw/zinc/04/11/50/241041150.db2.gz OZESGFQUVWIVAH-UHFFFAOYSA-N 0 0 307.350 0.831 10 0 DCAERN CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)CCO2)o1 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0.825 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)n(C)n1 ZINC000093223334 193218348 /nfs/dbraw/zinc/21/83/48/193218348.db2.gz YFUABIMXZRDLKC-LLVKDONJSA-N 0 0 321.381 0.048 10 0 DCAERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000249940672 284201635 /nfs/dbraw/zinc/20/16/35/284201635.db2.gz SXHQTBJXYYQICR-KBPBESRZSA-N 0 0 318.377 0.844 10 0 DCAERN COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1nc(C)c(C)o1 ZINC000184911952 291503567 /nfs/dbraw/zinc/50/35/67/291503567.db2.gz UMGLEBIISXWARE-JTQLQIEISA-N 0 0 302.352 0.063 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)NC(C)(C)C ZINC000008057801 181523326 /nfs/dbraw/zinc/52/33/26/181523326.db2.gz MOQZVJPFFYKAKQ-UHFFFAOYSA-N 0 0 303.384 0.827 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000264834170 204193801 /nfs/dbraw/zinc/19/38/01/204193801.db2.gz ZUXSQQACTJMOSU-JTQLQIEISA-N 0 0 309.395 0.541 10 0 DCAERN CN(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000011094699 181684840 /nfs/dbraw/zinc/68/48/40/181684840.db2.gz 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257115750 /nfs/dbraw/zinc/11/57/50/257115750.db2.gz AHVRPVHNFWGWEH-DGCLKSJQSA-N 0 0 311.345 0.979 10 0 DCAERN COCC(=O)NC[C@H]1CN(C2CCOCC2)Cc2ccnn21 ZINC000247858052 257115979 /nfs/dbraw/zinc/11/59/79/257115979.db2.gz UYCDJSIMYOCNLW-AWEZNQCLSA-N 0 0 308.382 0.181 10 0 DCAERN CS(=O)(=O)NC[C@@H]1CO[C@H]2C[N@H+](Cc3cccs3)C[C@@H]12 ZINC000247541321 257118449 /nfs/dbraw/zinc/11/84/49/257118449.db2.gz SJRGCEYEIYODAQ-WXHSDQCUSA-N 0 0 316.448 0.744 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCC2(CN(c3ncccn3)C2)OC1 ZINC000247533440 257119394 /nfs/dbraw/zinc/11/93/94/257119394.db2.gz POBXLYNVCLOZTG-LLVKDONJSA-N 0 0 312.395 0.011 10 0 DCAERN CS(=O)(=O)NC[C@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000247557492 257119732 /nfs/dbraw/zinc/11/97/32/257119732.db2.gz XVKBLPZVJLVCRI-GFCCVEGCSA-N 0 0 314.407 0.810 10 0 DCAERN CCS(=O)(=O)NC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 ZINC000253489234 257105046 /nfs/dbraw/zinc/10/50/46/257105046.db2.gz DNFCXCAVARONJE-CYBMUJFWSA-N 0 0 324.406 0.972 10 0 DCAERN 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OSFFHZLBXLEJDH-CYBMUJFWSA-N 0 0 305.363 0.417 10 0 DCAERN C[C@H]1OCCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1C(N)=O ZINC000284719375 131106871 /nfs/dbraw/zinc/10/68/71/131106871.db2.gz LHJPPRJCOHOQQL-KCJUWKMLSA-N 0 0 318.782 0.603 10 0 DCAERN Cc1cc(S(=O)(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c(C)o1 ZINC000284868712 131118382 /nfs/dbraw/zinc/11/83/82/131118382.db2.gz DHAKZMQMZWISKZ-OLZOCXBDSA-N 0 0 314.407 0.990 10 0 DCAERN C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CC(CO)C1 ZINC000284971392 131127398 /nfs/dbraw/zinc/12/73/98/131127398.db2.gz KASLIWKBEVDPNA-WBMJQRKESA-N 0 0 318.373 0.253 10 0 DCAERN Cc1ccc(-n2nnnc2N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000284980302 131128032 /nfs/dbraw/zinc/12/80/32/131128032.db2.gz KYEGHIKZZKDXKC-LSDHHAIUSA-N 0 0 314.393 0.880 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000285437623 131168246 /nfs/dbraw/zinc/16/82/46/131168246.db2.gz PBAOVKDBHHPWKS-QGZVFWFLSA-N 0 0 317.389 0.991 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCCc3ccncc3)C[C@H]21 ZINC000285450412 131169152 /nfs/dbraw/zinc/16/91/52/131169152.db2.gz JLEFFANPBSXLLS-CABCVRRESA-N 0 0 304.394 0.739 10 0 DCAERN Cc1nc2cc(C(=O)N3CCC[C@](O)(C(N)=O)C3)ccc2o1 ZINC000285487063 131172997 /nfs/dbraw/zinc/17/29/97/131172997.db2.gz LMYIVOGJWWTEJV-OAHLLOKOSA-N 0 0 303.318 0.589 10 0 DCAERN COCc1cccc(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1 ZINC000285728192 131196928 /nfs/dbraw/zinc/19/69/28/131196928.db2.gz YGSWTVLGJLUJRP-INIZCTEOSA-N 0 0 306.362 0.214 10 0 DCAERN COCc1cccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285730147 131197613 /nfs/dbraw/zinc/19/76/13/131197613.db2.gz YGSWTVLGJLUJRP-MRXNPFEDSA-N 0 0 306.362 0.214 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000290811401 131518819 /nfs/dbraw/zinc/51/88/19/131518819.db2.gz SFSQITFZVTZSBD-MRVPVSSYSA-N 0 0 315.273 0.253 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](C)O1 ZINC000291415725 131568421 /nfs/dbraw/zinc/56/84/21/131568421.db2.gz WKPGSAPMHHPLQU-NXEZZACHSA-N 0 0 306.366 0.872 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)C(C)C ZINC000113130305 132175085 /nfs/dbraw/zinc/17/50/85/132175085.db2.gz OGTPFOYMJULIGG-NWDGAFQWSA-N 0 0 318.439 0.573 10 0 DCAERN N#Cc1cccnc1N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299751872 134746304 /nfs/dbraw/zinc/74/63/04/134746304.db2.gz SBEOUZGLIAAFST-AWEZNQCLSA-N 0 0 300.362 0.809 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1nc2ccccc2c(=O)[nH]1 ZINC000012323046 395687495 /nfs/dbraw/zinc/68/74/95/395687495.db2.gz QEACCBBBORIOGL-UHFFFAOYSA-N 0 0 314.345 0.665 10 0 DCAERN Cc1cc(O)ccc1N1C(=O)C[C@@H](N2CCN(C)CC2)C1=O ZINC000023476950 395692436 /nfs/dbraw/zinc/69/24/36/395692436.db2.gz YQZPCFMNHMAMLX-CQSZACIVSA-N 0 0 303.362 0.580 10 0 DCAERN COC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000003070434 395682248 /nfs/dbraw/zinc/68/22/48/395682248.db2.gz XNVNRGQNXUJWAS-IUCAKERBSA-N 0 0 304.302 0.349 10 0 DCAERN CC(=O)N[C@@H](CC(=O)NCC(=O)NC(C)C)c1ccccc1 ZINC000008166117 395684157 /nfs/dbraw/zinc/68/41/57/395684157.db2.gz NFTQTQTZFCFCPU-AWEZNQCLSA-N 0 0 305.378 0.895 10 0 DCAERN CC(=O)NCc1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1 ZINC000086014673 395702362 /nfs/dbraw/zinc/70/23/62/395702362.db2.gz PARCZRTZNBILLT-SNVBAGLBSA-N 0 0 300.380 0.372 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C[C@H]1O ZINC000089408187 395710818 /nfs/dbraw/zinc/71/08/18/395710818.db2.gz HHGSKBLYNUWRLL-XHDPSFHLSA-N 0 0 301.346 0.626 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)co1 ZINC000089415582 395711307 /nfs/dbraw/zinc/71/13/07/395711307.db2.gz JHDUZZKISZEMLF-SCZZXKLOSA-N 0 0 302.352 0.031 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)o1 ZINC000089427134 395711792 /nfs/dbraw/zinc/71/17/92/395711792.db2.gz PVHRIYJOYLVARD-BDAKNGLRSA-N 0 0 302.352 0.031 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1ccc(C(F)(F)F)nc1 ZINC000089753644 395714536 /nfs/dbraw/zinc/71/45/36/395714536.db2.gz RNYMNYKBNYUVSS-ZETCQYMHSA-N 0 0 301.224 0.635 10 0 DCAERN CCOC(=O)CC[C@@H](C)NC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000089896028 395715871 /nfs/dbraw/zinc/71/58/71/395715871.db2.gz QXNQCRJQHXVBGR-PWSUYJOCSA-N 0 0 323.397 0.932 10 0 DCAERN CCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 ZINC000034648772 395718238 /nfs/dbraw/zinc/71/82/38/395718238.db2.gz DQXKOXQEQONOBG-WCBMZHEXSA-N 0 0 317.342 0.896 10 0 DCAERN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccncc1 ZINC000027405411 395695019 /nfs/dbraw/zinc/69/50/19/395695019.db2.gz KQOFFNGXOMGLRT-QLJPJBMISA-N 0 0 316.361 0.979 10 0 DCAERN COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000028650952 395696173 /nfs/dbraw/zinc/69/61/73/395696173.db2.gz VDSKXIAASQAKJH-VIFPVBQESA-N 0 0 304.343 0.255 10 0 DCAERN O=S1(=O)CC[C@@H](CNCc2cnn(-c3ccccc3)n2)C1 ZINC000038083151 395731310 /nfs/dbraw/zinc/73/13/10/395731310.db2.gz GAPJDDHZOIQHCG-LBPRGKRZSA-N 0 0 306.391 0.792 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)CCn2ccnc2)cc1 ZINC000040378179 395733154 /nfs/dbraw/zinc/73/31/54/395733154.db2.gz FPDDSBIXVKANOC-UHFFFAOYSA-N 0 0 308.363 0.237 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000040220860 395733287 /nfs/dbraw/zinc/73/32/87/395733287.db2.gz NJZGSQHDPQPDJQ-LLVKDONJSA-N 0 0 312.395 0.724 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000040446256 395733948 /nfs/dbraw/zinc/73/39/48/395733948.db2.gz XYFOJMLQSNLGIA-CYBMUJFWSA-N 0 0 310.375 0.788 10 0 DCAERN CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](O)C1)N1CCOCC1 ZINC000093351669 395738176 /nfs/dbraw/zinc/73/81/76/395738176.db2.gz AGEBXROIOROZGV-KKUMJFAQSA-N 0 0 313.442 0.756 10 0 DCAERN C[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)N1CCOCC1 ZINC000042159259 395743625 /nfs/dbraw/zinc/74/36/25/395743625.db2.gz NUQMPCICVYPETF-QWHCGFSZSA-N 0 0 305.444 0.273 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)n1cccn1 ZINC000044690002 395758072 /nfs/dbraw/zinc/75/80/72/395758072.db2.gz VEIUKRXZKKMBIB-ZIAGYGMSSA-N 0 0 320.393 0.542 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC1=O ZINC000193979163 395784275 /nfs/dbraw/zinc/78/42/75/395784275.db2.gz DQTDADAYTQOONN-MRVPVSSYSA-N 0 0 309.347 0.456 10 0 DCAERN O=C1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CCN1 ZINC000101569833 395765283 /nfs/dbraw/zinc/76/52/83/395765283.db2.gz MDXSEFOKFYVFMR-UHFFFAOYSA-N 0 0 303.771 0.387 10 0 DCAERN CN1CC[C@@H](C(=O)NCc2cccnc2-n2ccnc2)CC1=O ZINC000045897679 395768169 /nfs/dbraw/zinc/76/81/69/395768169.db2.gz NMUBRORDJVRYQQ-GFCCVEGCSA-N 0 0 313.361 0.752 10 0 DCAERN C[C@@H](Cn1cncn1)NC(=O)NCC(=O)NC1CCCCC1 ZINC000102009966 395768630 /nfs/dbraw/zinc/76/86/30/395768630.db2.gz BTHABDXNLIQNSY-NSHDSACASA-N 0 0 308.386 0.415 10 0 DCAERN COc1cccc(N2CC[C@H](CNS(=O)(=O)N(C)C)C2)c1 ZINC000102414423 395769893 /nfs/dbraw/zinc/76/98/93/395769893.db2.gz AYGYZBQQCYXYIA-GFCCVEGCSA-N 0 0 313.423 0.918 10 0 DCAERN COc1cccc(N2CC[C@H](CNC(=O)CCNC(N)=O)C2)c1 ZINC000102484757 395770428 /nfs/dbraw/zinc/77/04/28/395770428.db2.gz MYKKQFQAUNCDCN-GFCCVEGCSA-N 0 0 320.393 0.696 10 0 DCAERN C[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)N1CCSCC1 ZINC000103467705 395772743 /nfs/dbraw/zinc/77/27/43/395772743.db2.gz PMHACMRCGVRIJG-LLVKDONJSA-N 0 0 301.456 0.797 10 0 DCAERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCCC(=O)N1 ZINC000193737659 395778219 /nfs/dbraw/zinc/77/82/19/395778219.db2.gz FJRVOUNCMHUYMM-ZDUSSCGKSA-N 0 0 318.377 0.916 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc(C(=O)N(C)C)c1 ZINC000104362668 395778550 /nfs/dbraw/zinc/77/85/50/395778550.db2.gz SFHRNCJYAIQXFS-CYBMUJFWSA-N 0 0 303.362 0.739 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)C1 ZINC000194630039 395802685 /nfs/dbraw/zinc/80/26/85/395802685.db2.gz FJMJUXJZDPKPQO-OCCSQVGLSA-N 0 0 304.346 0.215 10 0 DCAERN CC(=O)NC1(C(=O)NCCCN2CCCC2=O)CCCCC1 ZINC000194726356 395805274 /nfs/dbraw/zinc/80/52/74/395805274.db2.gz PUJQAIQWHBGOJF-UHFFFAOYSA-N 0 0 309.410 0.954 10 0 DCAERN CN(C)C(=O)Cn1cc(C(=O)N[C@H]2COc3ccccc32)nn1 ZINC000194891716 395810966 /nfs/dbraw/zinc/81/09/66/395810966.db2.gz CXLRVTCSBINSFD-LBPRGKRZSA-N 0 0 315.333 0.230 10 0 DCAERN CCCNC(=O)CCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111649883 395811313 /nfs/dbraw/zinc/81/13/13/395811313.db2.gz GWLMOPBUFJJAMP-AWEZNQCLSA-N 0 0 322.409 0.807 10 0 DCAERN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)NC(C)C ZINC000111812788 395813153 /nfs/dbraw/zinc/81/31/53/395813153.db2.gz IKHSOHULXMXZEV-ZDUSSCGKSA-N 0 0 314.430 0.311 10 0 DCAERN CCOCCN1CCN(C(=O)NCc2cccc(OC)n2)CC1 ZINC000111846594 395814098 /nfs/dbraw/zinc/81/40/98/395814098.db2.gz NNIQRBZNTQTDCH-UHFFFAOYSA-N 0 0 322.409 0.954 10 0 DCAERN CC(C)(C)C(=O)NCCC(=O)N1CCN(c2cccnn2)CC1 ZINC000195048831 395814525 /nfs/dbraw/zinc/81/45/25/395814525.db2.gz JXJLYWOWEFCACX-UHFFFAOYSA-N 0 0 319.409 0.678 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)NCC2(C)COC2)C1=O ZINC000112617091 395819426 /nfs/dbraw/zinc/81/94/26/395819426.db2.gz VVVNWRCORQXJLV-NSHDSACASA-N 0 0 304.346 0.953 10 0 DCAERN CC(C)c1noc(CCCNC(=O)C(=O)c2cnn(C)c2)n1 ZINC000195187256 395819912 /nfs/dbraw/zinc/81/99/12/395819912.db2.gz QGONWRRAAQZMGN-UHFFFAOYSA-N 0 0 305.338 0.858 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccnc(-n2ccnc2)c1 ZINC000112647068 395820219 /nfs/dbraw/zinc/82/02/19/395820219.db2.gz MFEUHLZSRZLVLG-LBPRGKRZSA-N 0 0 309.333 0.604 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270898413 395820817 /nfs/dbraw/zinc/82/08/17/395820817.db2.gz QWHMAEYWQYKHSO-GHMZBOCLSA-N 0 0 303.366 0.524 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)NCc1cccc2c1OCCCO2 ZINC000270906983 395821199 /nfs/dbraw/zinc/82/11/99/395821199.db2.gz TZZPPBRKLPFJEW-JTQLQIEISA-N 0 0 319.317 0.062 10 0 DCAERN O=C(NC1CCC2(CC1)OCCO2)N[C@@H]1CCc2ncnn2C1 ZINC000112742774 395824187 /nfs/dbraw/zinc/82/41/87/395824187.db2.gz PWDIIGGDSYVQCY-GFCCVEGCSA-N 0 0 321.381 0.578 10 0 DCAERN Cc1csc([C@@H]2CCCN(CC(=O)N3CCNC(=O)C3)C2)n1 ZINC000195330263 395824724 /nfs/dbraw/zinc/82/47/24/395824724.db2.gz QKLNZCZKNGJBFL-GFCCVEGCSA-N 0 0 322.434 0.589 10 0 DCAERN C[C@@H](NC(=O)NCCCN1CCCC1=O)C(=O)NC(C)(C)C ZINC000195475784 395828170 /nfs/dbraw/zinc/82/81/70/395828170.db2.gz VMRVLMNXAZKRBL-LLVKDONJSA-N 0 0 312.414 0.601 10 0 DCAERN CC(C)n1nnnc1CSc1nnnn1C[C@@H]1CCCO1 ZINC000195517246 395830246 /nfs/dbraw/zinc/83/02/46/395830246.db2.gz QCHRXZPSQSUWLC-VIFPVBQESA-N 0 0 310.387 0.712 10 0 DCAERN COC(=O)c1c(=O)n(O)c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000225415765 395859828 /nfs/dbraw/zinc/85/98/28/395859828.db2.gz JPDLMZCPKYAXFB-UHFFFAOYSA-N 0 0 306.081 0.857 10 0 DCAERN Nc1ccccc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O ZINC000212555127 395836455 /nfs/dbraw/zinc/83/64/55/395836455.db2.gz YOQCIZWAOMMLIU-SECBINFHSA-N 0 0 304.393 0.124 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000115390225 395839040 /nfs/dbraw/zinc/83/90/40/395839040.db2.gz YXPIOIFOVAYQLE-AWEZNQCLSA-N 0 0 306.410 0.718 10 0 DCAERN CC(C)(C)OC(=O)CNC(=O)Cn1c2ccccc2[nH]c1=O ZINC000115462062 395839887 /nfs/dbraw/zinc/83/98/87/395839887.db2.gz LBEACISLKSANIB-UHFFFAOYSA-N 0 0 305.334 0.788 10 0 DCAERN CC(=O)N1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000051152716 395846844 /nfs/dbraw/zinc/84/68/44/395846844.db2.gz YLVNSDPIIHVQQE-HUUCEWRRSA-N 0 0 309.410 0.321 10 0 DCAERN COc1ccccc1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116831596 395846951 /nfs/dbraw/zinc/84/69/51/395846951.db2.gz IGYBOEYTOPEMDT-GFCCVEGCSA-N 0 0 312.391 0.388 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)COc2ccccc2F)C1 ZINC000116833142 395847063 /nfs/dbraw/zinc/84/70/63/395847063.db2.gz FSKSATSOEJZPHI-JTQLQIEISA-N 0 0 316.354 0.355 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000116834858 395847711 /nfs/dbraw/zinc/84/77/11/395847711.db2.gz FQGHOIRDLNWNSZ-CYBMUJFWSA-N 0 0 311.407 0.554 10 0 DCAERN O=C(CN1CCN(C(=O)NCc2cscn2)CC1)NC1CC1 ZINC000051749811 395853962 /nfs/dbraw/zinc/85/39/62/395853962.db2.gz RWXMIEICUFOQAV-UHFFFAOYSA-N 0 0 323.422 0.249 10 0 DCAERN COc1cccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c21 ZINC000117721069 395854608 /nfs/dbraw/zinc/85/46/08/395854608.db2.gz IZCIHMVVRHHZAA-UHFFFAOYSA-N 0 0 315.377 0.418 10 0 DCAERN Cc1cnn(CCNC(=O)[C@H](C)Sc2nnnn2C2CC2)c1 ZINC000117815867 395855378 /nfs/dbraw/zinc/85/53/78/395855378.db2.gz ADXKFDASNSNNHM-JTQLQIEISA-N 0 0 321.410 0.810 10 0 DCAERN O=c1cc(CN2CCN(c3cccnn3)CC2)[nH]c2ccnn21 ZINC000108858632 395794538 /nfs/dbraw/zinc/79/45/38/395794538.db2.gz ZZZHDXRJITZIQB-UHFFFAOYSA-N 0 0 311.349 0.135 10 0 DCAERN COCCN(Cc1nc(C)c(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000108853324 395794556 /nfs/dbraw/zinc/79/45/56/395794556.db2.gz RQGZBJBLBJYWIZ-GFCCVEGCSA-N 0 0 302.396 0.927 10 0 DCAERN CN(CC(=O)Nc1ccccc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000047547900 395795104 /nfs/dbraw/zinc/79/51/04/395795104.db2.gz PZRKXOIKNRRWRF-GFCCVEGCSA-N 0 0 303.362 0.952 10 0 DCAERN CCc1cccc2c(CC(=O)NCCS(N)(=O)=O)c[nH]c21 ZINC000109619548 395797902 /nfs/dbraw/zinc/79/79/02/395797902.db2.gz PIRZDXSYGXJJMU-UHFFFAOYSA-N 0 0 309.391 0.678 10 0 DCAERN COCCN1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000194589952 395800435 /nfs/dbraw/zinc/80/04/35/395800435.db2.gz YNNJOLANZAEUAZ-UHFFFAOYSA-N 0 0 307.394 0.898 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000194594492 395800464 /nfs/dbraw/zinc/80/04/64/395800464.db2.gz MVABXCTXBOXKLJ-CHWSQXEVSA-N 0 0 316.423 0.582 10 0 DCAERN CCCc1noc(CCCC(=O)NC[C@H]2CN(C)CCO2)n1 ZINC000194605395 395801210 /nfs/dbraw/zinc/80/12/10/395801210.db2.gz MAQRCTZPJNGRAV-LBPRGKRZSA-N 0 0 310.398 0.792 10 0 DCAERN Cc1cc(C(=O)NC[C@H](O)CN2CCOCC2)cc(Cl)n1 ZINC000122914389 395890544 /nfs/dbraw/zinc/89/05/44/395890544.db2.gz IBPHDVCHCPPZCW-LBPRGKRZSA-N 0 0 313.785 0.466 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)CCO)cc1 ZINC000123613132 395895606 /nfs/dbraw/zinc/89/56/06/395895606.db2.gz ZITURACBZSIOTC-SNVBAGLBSA-N 0 0 301.364 0.451 10 0 DCAERN CC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000123937862 395898541 /nfs/dbraw/zinc/89/85/41/395898541.db2.gz GVTYFCRHZUKDJN-KCQAQPDRSA-N 0 0 305.378 0.878 10 0 DCAERN C[C@H](NC(=O)[C@H]1CCCOC1)c1ccc(S(N)(=O)=O)cc1 ZINC000054769610 395905255 /nfs/dbraw/zinc/90/52/55/395905255.db2.gz SAHWRPVMAHSQNK-JQWIXIFHSA-N 0 0 312.391 0.938 10 0 DCAERN CN1C[C@@H](NC(=O)CCNC(=O)c2cccs2)CCC1=O ZINC000133690965 395930178 /nfs/dbraw/zinc/93/01/78/395930178.db2.gz CYZFSXLWJJOMMB-JTQLQIEISA-N 0 0 309.391 0.605 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1COCCN1)c1noc(Cc2ccccc2)n1 ZINC000237366471 395911067 /nfs/dbraw/zinc/91/10/67/395911067.db2.gz WLBNVFCYWSROSB-YPMHNXCESA-N 0 0 316.361 0.826 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCc2cn3ccccc3n2)C[C@H](C)O1 ZINC000055290140 395916331 /nfs/dbraw/zinc/91/63/31/395916331.db2.gz ZHGCBRJGDKMDRI-TXEJJXNPSA-N 0 0 324.406 0.778 10 0 DCAERN O=C(NCCCN1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000055531270 395919412 /nfs/dbraw/zinc/91/94/12/395919412.db2.gz PUSNEKFIQSKURH-UHFFFAOYSA-N 0 0 315.377 0.719 10 0 DCAERN O=S(=O)(NCC1(O)Cc2ccccc2C1)c1cccnc1 ZINC000238924798 395923101 /nfs/dbraw/zinc/92/31/01/395923101.db2.gz UNVQZXOKAWYWBP-UHFFFAOYSA-N 0 0 304.371 0.890 10 0 DCAERN C[C@@H]1COCCN1C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000052607818 395866682 /nfs/dbraw/zinc/86/66/82/395866682.db2.gz NWAHFTUJLBWBMK-CYBMUJFWSA-N 0 0 306.410 0.879 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1c(F)cccc1F ZINC000119311934 395869307 /nfs/dbraw/zinc/86/93/07/395869307.db2.gz QQKMAXLBSFMFJJ-JTQLQIEISA-N 0 0 315.320 0.779 10 0 DCAERN C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(-c2nccn2C)[nH]n1 ZINC000119606554 395873172 /nfs/dbraw/zinc/87/31/72/395873172.db2.gz UDQFSSJTKHAXAF-QMMMGPOBSA-N 0 0 311.367 0.429 10 0 DCAERN Cn1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1=O ZINC000119748610 395874854 /nfs/dbraw/zinc/87/48/54/395874854.db2.gz NTFXFUYRUNAYFN-UHFFFAOYSA-N 0 0 309.329 0.896 10 0 DCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248838551 395998373 /nfs/dbraw/zinc/99/83/73/395998373.db2.gz FBDUFMTUJVQANE-KFWWJZLASA-N 0 0 324.421 0.756 10 0 DCAERN CC(=O)NCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000245663675 395932793 /nfs/dbraw/zinc/93/27/93/395932793.db2.gz IEQIMBSOHWEDTL-HIFRSBDPSA-N 0 0 311.332 0.962 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000245889859 395937544 /nfs/dbraw/zinc/93/75/44/395937544.db2.gz ZHPFLXNEXBTBKP-HBNTYKKESA-N 0 0 307.325 0.725 10 0 DCAERN CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CC1=O ZINC000246090382 395940717 /nfs/dbraw/zinc/94/07/17/395940717.db2.gz CKGRQQPHYPQJNE-ZOBORPQBSA-N 0 0 310.394 0.650 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCN1c2ccccc2CC1=O ZINC000135561363 395941571 /nfs/dbraw/zinc/94/15/71/395941571.db2.gz ZKMQJMNCJNEEKT-FZMZJTMJSA-N 0 0 324.402 0.673 10 0 DCAERN CN(C[C@@H]1CCCO1)c1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000274372716 395943017 /nfs/dbraw/zinc/94/30/17/395943017.db2.gz QOTXZNVCVCKQQB-LBPRGKRZSA-N 0 0 305.382 0.370 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1C ZINC000246259763 395945438 /nfs/dbraw/zinc/94/54/38/395945438.db2.gz PTRSWODQYOTRCB-QWRGUYRKSA-N 0 0 311.407 0.600 10 0 DCAERN COC(=O)[C@H](C)N(C[C@@H](O)CN1CCOCC1)C1CCC1 ZINC000248895803 395999602 /nfs/dbraw/zinc/99/96/02/395999602.db2.gz UALDHMNEISSMAC-JSGCOSHPSA-N 0 0 300.399 0.096 10 0 DCAERN C[C@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1N1CCOCC1 ZINC000246428211 395950005 /nfs/dbraw/zinc/95/00/05/395950005.db2.gz LARVBZPQZOAYLH-GXTWGEPZSA-N 0 0 305.426 0.845 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2csc(Cl)n2)C1 ZINC000274488209 395952322 /nfs/dbraw/zinc/95/23/22/395952322.db2.gz NQOBVRKYSATSSP-ZCFIWIBFSA-N 0 0 309.800 0.560 10 0 DCAERN COC[C@@H](C)S(=O)(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000246758414 395956884 /nfs/dbraw/zinc/95/68/84/395956884.db2.gz SZOGMDPBXRGSNV-ZYHUDNBSSA-N 0 0 317.411 0.997 10 0 DCAERN COC(=O)C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1ccccc1 ZINC000246970663 395962504 /nfs/dbraw/zinc/96/25/04/395962504.db2.gz LWOVSIRCVCOYBU-ZIAGYGMSSA-N 0 0 306.362 0.738 10 0 DCAERN CN(CC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)S(C)(=O)=O ZINC000246969411 395962797 /nfs/dbraw/zinc/96/27/97/395962797.db2.gz NNYFLNSJZCKBQK-GUTXKFCHSA-N 0 0 308.403 0.580 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000248914846 396000435 /nfs/dbraw/zinc/00/04/35/396000435.db2.gz CVVAQHAATHLCBA-FIKIJFGZSA-N 0 0 317.455 0.844 10 0 DCAERN C[C@@H]1CN(C(=O)CN2CCC[C@@H](n3cncn3)C2)C[C@H](C)O1 ZINC000247126623 395967136 /nfs/dbraw/zinc/96/71/36/395967136.db2.gz KAAJYOOLKZCGGB-HZSPNIEDSA-N 0 0 307.398 0.551 10 0 DCAERN Cc1cnn(C[C@H]2CN(C[C@@H](O)COCC(C)C)CCO2)c1 ZINC000247223723 395969713 /nfs/dbraw/zinc/96/97/13/395969713.db2.gz QRPQWGQISXQEBU-HZPDHXFCSA-N 0 0 311.426 0.926 10 0 DCAERN COC(=O)[C@H](NC(=O)OCc1ccccc1)C1CN(C(C)=O)C1 ZINC000149852279 395970207 /nfs/dbraw/zinc/97/02/07/395970207.db2.gz BLGHNYFLEGYFRV-CQSZACIVSA-N 0 0 320.345 0.933 10 0 DCAERN COc1ccccc1CC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000150735944 395971560 /nfs/dbraw/zinc/97/15/60/395971560.db2.gz NNEJFSHZRWEEPT-UHFFFAOYSA-N 0 0 303.318 0.274 10 0 DCAERN CCNC(=O)CCCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000150752103 395971698 /nfs/dbraw/zinc/97/16/98/395971698.db2.gz IDZIYIWYTUHGGN-UHFFFAOYSA-N 0 0 302.338 0.907 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NC[C@H]1CCCO1 ZINC000247306051 395971750 /nfs/dbraw/zinc/97/17/50/395971750.db2.gz JECBCGWVHIMKBA-VXGBXAGGSA-N 0 0 300.399 0.944 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247465952 395974227 /nfs/dbraw/zinc/97/42/27/395974227.db2.gz RGGZXQNIHYGJPK-OLZOCXBDSA-N 0 0 302.440 0.752 10 0 DCAERN CCS(=O)(=O)CCNC(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000150920392 395975978 /nfs/dbraw/zinc/97/59/78/395975978.db2.gz SECVCGGGQSKFOF-NWDGAFQWSA-N 0 0 304.412 0.632 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[C@@H](O)C3)C2)cn1 ZINC000248971882 396001161 /nfs/dbraw/zinc/00/11/61/396001161.db2.gz SJKIJJZBPQMEDT-VNHYZAJKSA-N 0 0 321.425 0.849 10 0 DCAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H]1CCCNC1=O ZINC000064099138 395984664 /nfs/dbraw/zinc/98/46/64/395984664.db2.gz KPEBXSWUTNTSQI-NSHDSACASA-N 0 0 301.350 0.663 10 0 DCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[C@H]1CO ZINC000249030632 396001784 /nfs/dbraw/zinc/00/17/84/396001784.db2.gz BDVWNNNCBOBEJZ-RDBSUJKOSA-N 0 0 319.409 0.858 10 0 DCAERN COc1nccnc1N1CC[C@H](NC(=O)Cc2cccnc2)C1 ZINC000065268624 395992549 /nfs/dbraw/zinc/99/25/49/395992549.db2.gz BWGGFISUCKVXGV-ZDUSSCGKSA-N 0 0 313.361 0.818 10 0 DCAERN CO[C@@H](C)CS(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000248654789 395993021 /nfs/dbraw/zinc/99/30/21/395993021.db2.gz PWJUUPNEKYIIKD-WCQYABFASA-N 0 0 300.380 0.899 10 0 DCAERN O=C(NOC[C@H]1CCOC1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000248730887 395996200 /nfs/dbraw/zinc/99/62/00/395996200.db2.gz FSQFDQLCALLTGH-QWHCGFSZSA-N 0 0 306.366 0.928 10 0 DCAERN NC(=O)[C@@H]1COCCN1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000252802618 396024947 /nfs/dbraw/zinc/02/49/47/396024947.db2.gz PIYFZUGBXSWVIM-MJBXVCDLSA-N 0 0 309.410 0.354 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](C)OC[C@H]1C ZINC000069141629 396071268 /nfs/dbraw/zinc/07/12/68/396071268.db2.gz IFSQMQHDBIXBCX-BDAKNGLRSA-N 0 0 318.420 0.953 10 0 DCAERN CCOC(=O)CN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000253375007 396026085 /nfs/dbraw/zinc/02/60/85/396026085.db2.gz OFCAGJHOCGKATP-CYBMUJFWSA-N 0 0 311.426 0.614 10 0 DCAERN C[C@H](CO)N(C)C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000153999893 396027913 /nfs/dbraw/zinc/02/79/13/396027913.db2.gz RWYXZUNOQHVWJI-NWDGAFQWSA-N 0 0 318.377 0.807 10 0 DCAERN Cc1cccc(C)c1OCC(=O)NC[C@H](O)CN1CCOCC1 ZINC000154142853 396032892 /nfs/dbraw/zinc/03/28/92/396032892.db2.gz WCPJRRQDZAQCAJ-HNNXBMFYSA-N 0 0 322.405 0.492 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1CO ZINC000257196360 396036284 /nfs/dbraw/zinc/03/62/84/396036284.db2.gz YBXGTCCWYUKPCI-GXTWGEPZSA-N 0 0 315.373 0.523 10 0 DCAERN O=C([C@@H]1CSC(=O)N1)N1CCN(Cc2ccncc2)CC1 ZINC000154641759 396040559 /nfs/dbraw/zinc/04/05/59/396040559.db2.gz UWCSHCVZRPJFAX-LBPRGKRZSA-N 0 0 306.391 0.551 10 0 DCAERN COC(=O)CC(C)(C)CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000155218776 396048917 /nfs/dbraw/zinc/04/89/17/396048917.db2.gz IMGJDSVUOWCTRC-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN COc1ccccc1[C@H]1CNCCN1C(=O)[C@@H](C)NC(C)=O ZINC000261606913 396048953 /nfs/dbraw/zinc/04/89/53/396048953.db2.gz BIWYUJOFHKQYAB-BXUZGUMPSA-N 0 0 305.378 0.693 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000155293400 396049225 /nfs/dbraw/zinc/04/92/25/396049225.db2.gz BGMMACYIXJPHBB-JTQLQIEISA-N 0 0 318.345 0.657 10 0 DCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(=O)N(C)C)CC2 ZINC000155422017 396051856 /nfs/dbraw/zinc/05/18/56/396051856.db2.gz IXFNFYPZSPBDNP-SNVBAGLBSA-N 0 0 308.386 0.104 10 0 DCAERN NC(=O)[C@@H]1CCCN(C(=O)CNc2ccc3c(c2)COC3)C1 ZINC000155655576 396055405 /nfs/dbraw/zinc/05/54/05/396055405.db2.gz LNZCWPQHPDDSCK-LLVKDONJSA-N 0 0 303.362 0.853 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)cn1C ZINC000261674153 396055482 /nfs/dbraw/zinc/05/54/82/396055482.db2.gz JILAWFOTAOCBLO-CYBMUJFWSA-N 0 0 321.406 0.459 10 0 DCAERN Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[nH]1 ZINC000156721252 396061957 /nfs/dbraw/zinc/06/19/57/396061957.db2.gz HJPKFSGTVMOEFD-ZYHUDNBSSA-N 0 0 300.322 0.666 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cncc(F)c1 ZINC000068961407 396067282 /nfs/dbraw/zinc/06/72/82/396067282.db2.gz TWVOBAMSVMXUDT-DTWKUNHWSA-N 0 0 301.343 0.495 10 0 DCAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000277435273 396068351 /nfs/dbraw/zinc/06/83/51/396068351.db2.gz DUJSBJZRSOFJAA-HBNTYKKESA-N 0 0 308.338 0.145 10 0 DCAERN C[C@@H](O)CCNC(=O)[C@@H]1C[C@H](C)C[C@H]1C(=O)NCC[C@H](C)O ZINC000249475361 396008803 /nfs/dbraw/zinc/00/88/03/396008803.db2.gz VJEHLJHWCXREMF-XVIXHAIJSA-N 0 0 314.426 0.423 10 0 DCAERN CCNC(=O)NC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152492401 396010681 /nfs/dbraw/zinc/01/06/81/396010681.db2.gz ZSDDATDMPPQDGW-NSHDSACASA-N 0 0 320.397 0.638 10 0 DCAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)NC(=O)NC1CC1 ZINC000152559787 396012186 /nfs/dbraw/zinc/01/21/86/396012186.db2.gz DYFUKZOQESLBGT-CYBMUJFWSA-N 0 0 304.350 0.523 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc([S@@](C)=O)cc2)CCN1CCO ZINC000249877925 396012935 /nfs/dbraw/zinc/01/29/35/396012935.db2.gz HFXPHLNNGXYFMQ-XUSGNXJCSA-N 0 0 310.419 0.563 10 0 DCAERN CCCC(=O)NCC(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000066746947 396013485 /nfs/dbraw/zinc/01/34/85/396013485.db2.gz RNGQRIHAYFNJHX-UHFFFAOYSA-N 0 0 320.393 0.115 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@]3(CCOC3)C2)C[C@H](C)O1 ZINC000152649673 396014435 /nfs/dbraw/zinc/01/44/35/396014435.db2.gz PSHQADVRRMIPGN-XQQFMLRXSA-N 0 0 304.412 0.453 10 0 DCAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000153045052 396019919 /nfs/dbraw/zinc/01/99/19/396019919.db2.gz ZKRVCDLXPCFEEE-YOEHRIQHSA-N 0 0 317.389 0.905 10 0 DCAERN Cc1ccc(CNC(=O)[C@@H]2CCN(c3cn[nH]c(=O)c3)C2)o1 ZINC000169785408 396092523 /nfs/dbraw/zinc/09/25/23/396092523.db2.gz NCMHOIZIEIYRDY-LLVKDONJSA-N 0 0 302.334 0.814 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C)C2)cc1 ZINC000070303101 396101430 /nfs/dbraw/zinc/10/14/30/396101430.db2.gz LEHFVEPFGFMBSY-GFCCVEGCSA-N 0 0 312.391 0.385 10 0 DCAERN CCOC(=O)C(C)(C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000171031979 396103758 /nfs/dbraw/zinc/10/37/58/396103758.db2.gz CQBFPNXATUTBEW-UHFFFAOYSA-N 0 0 305.334 0.788 10 0 DCAERN CNC(=O)c1ccc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000278939018 396141960 /nfs/dbraw/zinc/14/19/60/396141960.db2.gz WASWSNKTHHBDOL-TXEJJXNPSA-N 0 0 307.398 0.382 10 0 DCAERN CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCOC1 ZINC000171036483 396104626 /nfs/dbraw/zinc/10/46/26/396104626.db2.gz MDGWLRLPSBVMTD-GFCCVEGCSA-N 0 0 324.402 0.910 10 0 DCAERN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@H]1CNC(=O)C1 ZINC000171243445 396112076 /nfs/dbraw/zinc/11/20/76/396112076.db2.gz TYFXOQSLMASOAJ-MRVPVSSYSA-N 0 0 311.288 0.498 10 0 DCAERN Cc1cccc(-n2cc(C(=O)NC[C@@H]3CN(C)CCO3)nn2)c1 ZINC000171286942 396112534 /nfs/dbraw/zinc/11/25/34/396112534.db2.gz LHHMUUOCRGTEMN-CQSZACIVSA-N 0 0 315.377 0.636 10 0 DCAERN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000171411328 396116357 /nfs/dbraw/zinc/11/63/57/396116357.db2.gz VWIIKOGKLFSAFQ-HNNXBMFYSA-N 0 0 316.409 0.949 10 0 DCAERN Cc1cc(-c2nnn(C[C@H](O)CN3CCOCC3)n2)ccc1F ZINC000071841214 396118844 /nfs/dbraw/zinc/11/88/44/396118844.db2.gz BEDPNPFBKPHVED-CYBMUJFWSA-N 0 0 321.356 0.481 10 0 DCAERN O=C(c1ccnc(-n2cncn2)c1)N1CCN2CCCC[C@@H]2C1 ZINC000071839713 396119004 /nfs/dbraw/zinc/11/90/04/396119004.db2.gz AUWIPFYUVCLNFO-CQSZACIVSA-N 0 0 312.377 0.973 10 0 DCAERN CCOC(=O)CCCNC(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171616592 396120287 /nfs/dbraw/zinc/12/02/87/396120287.db2.gz JBVKKMZEMDGQNW-CYBMUJFWSA-N 0 0 323.397 0.375 10 0 DCAERN O=C(CN1CC(=O)NC1=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000171860566 396126698 /nfs/dbraw/zinc/12/66/98/396126698.db2.gz PQLZHFBVEDMKEB-UHFFFAOYSA-N 0 0 305.319 0.629 10 0 DCAERN CC1(CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)COC1 ZINC000171875191 396126943 /nfs/dbraw/zinc/12/69/43/396126943.db2.gz BOAIIGKRKAOBNC-UHFFFAOYSA-N 0 0 315.333 0.359 10 0 DCAERN CCOC(=O)CCS(=O)(=O)NCCc1c(C)nn(C)c1C ZINC000172200184 396129515 /nfs/dbraw/zinc/12/95/15/396129515.db2.gz PCXKGYNYZJMDRT-UHFFFAOYSA-N 0 0 317.411 0.452 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)C1 ZINC000278548944 396131136 /nfs/dbraw/zinc/13/11/36/396131136.db2.gz ICOPTPKJTPLOFX-KBPBESRZSA-N 0 0 320.393 0.369 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)CCNS(C)(=O)=O ZINC000172960654 396133640 /nfs/dbraw/zinc/13/36/40/396133640.db2.gz RUFGRTBXBGGAAN-LBPRGKRZSA-N 0 0 314.407 0.647 10 0 DCAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCC(=O)N(C)C ZINC000175875206 396143991 /nfs/dbraw/zinc/14/39/91/396143991.db2.gz RMEKDOJRVBGAIQ-ZDUSSCGKSA-N 0 0 307.398 0.844 10 0 DCAERN Cn1ccc(N2CCC[C@@H](N3CCN(C4CC4)CC3)C2=O)n1 ZINC000173579281 396135295 /nfs/dbraw/zinc/13/52/95/396135295.db2.gz WBSFLFCBBBANHM-CQSZACIVSA-N 0 0 303.410 0.696 10 0 DCAERN Cc1c([C@@H](C)NC(=O)N2CC[C@H](N3CCOCC3)C2)cnn1C ZINC000173787416 396136051 /nfs/dbraw/zinc/13/60/51/396136051.db2.gz IKPOCFSIJHIQCA-OCCSQVGLSA-N 0 0 321.425 0.906 10 0 DCAERN Cc1ccc([C@H](CNS(N)(=O)=O)N2CCOCC2)s1 ZINC000175218889 396140284 /nfs/dbraw/zinc/14/02/84/396140284.db2.gz VROAOCJUCUKQQF-JTQLQIEISA-N 0 0 305.425 0.223 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000162411880 396081176 /nfs/dbraw/zinc/08/11/76/396081176.db2.gz CIYOOPYQWTVMDT-GXTWGEPZSA-N 0 0 309.410 0.224 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000162411992 396081400 /nfs/dbraw/zinc/08/14/00/396081400.db2.gz CIYOOPYQWTVMDT-TZMCWYRMSA-N 0 0 309.410 0.224 10 0 DCAERN C[C@H](CN1Cc2ccccc2C[C@H]1C(N)=O)CS(C)(=O)=O ZINC000162591988 396082080 /nfs/dbraw/zinc/08/20/80/396082080.db2.gz QGJJQJJVILRTLL-RISCZKNCSA-N 0 0 310.419 0.579 10 0 DCAERN Cn1ncnc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000162932454 396085098 /nfs/dbraw/zinc/08/50/98/396085098.db2.gz PZECHYMEOXATJI-NSHDSACASA-N 0 0 315.333 0.764 10 0 DCAERN C[C@@]1(C2CC2)NC(=O)N(Cc2nc(Cn3cccn3)no2)C1=O ZINC000073342096 396144949 /nfs/dbraw/zinc/14/49/49/396144949.db2.gz GQNCPXBLTJDWCV-AWEZNQCLSA-N 0 0 316.321 0.535 10 0 DCAERN CCOCCNC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000175958874 396147129 /nfs/dbraw/zinc/14/71/29/396147129.db2.gz RWPPFJDSWIXAGY-UHFFFAOYSA-N 0 0 321.425 0.530 10 0 DCAERN CNC(=O)[C@H]1CCCN1c1cc(C(F)(F)F)nc2ncnn21 ZINC000076836611 396209676 /nfs/dbraw/zinc/20/96/76/396209676.db2.gz RCXZHAZCEJFREL-SSDOTTSWSA-N 0 0 314.271 0.858 10 0 DCAERN Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000176332673 396154048 /nfs/dbraw/zinc/15/40/48/396154048.db2.gz XSBFVBOTLLBNBR-GFCCVEGCSA-N 0 0 308.382 0.536 10 0 DCAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCc1nc(C)no1 ZINC000073980607 396154234 /nfs/dbraw/zinc/15/42/34/396154234.db2.gz JIJQQILFWIIKRR-LBPRGKRZSA-N 0 0 323.397 0.963 10 0 DCAERN Cn1nccc1CNC(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000176414834 396155057 /nfs/dbraw/zinc/15/50/57/396155057.db2.gz ROIRLAOSLRNACU-UHFFFAOYSA-N 0 0 314.349 0.563 10 0 DCAERN CC(C)Cn1cnc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176750401 396159925 /nfs/dbraw/zinc/15/99/25/396159925.db2.gz DPWAMSRSNUWZGD-NSHDSACASA-N 0 0 324.410 0.944 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000177217299 396169208 /nfs/dbraw/zinc/16/92/08/396169208.db2.gz OABHMSRDRULSJY-SSDOTTSWSA-N 0 0 322.308 0.868 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000177263293 396170057 /nfs/dbraw/zinc/17/00/57/396170057.db2.gz HSHZUZWKSCCTSU-NSHDSACASA-N 0 0 318.420 0.876 10 0 DCAERN Cc1nnc(CN(C)C[C@H](O)CN2CCOCC2)n1C1CC1 ZINC000177351978 396173099 /nfs/dbraw/zinc/17/30/99/396173099.db2.gz SKICUFVJYUKUNY-AWEZNQCLSA-N 0 0 309.414 0.046 10 0 DCAERN O=C(Nc1cccc2[nH]ccc21)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177627648 396180148 /nfs/dbraw/zinc/18/01/48/396180148.db2.gz PWNFWOAHZNCHCD-SNVBAGLBSA-N 0 0 324.344 0.829 10 0 DCAERN COc1ccccc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177634933 396180563 /nfs/dbraw/zinc/18/05/63/396180563.db2.gz RFCBXSAYVUKGNH-JTQLQIEISA-N 0 0 315.333 0.356 10 0 DCAERN C[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000075656280 396184478 /nfs/dbraw/zinc/18/44/78/396184478.db2.gz JCOQTZZLDZTQKR-LBPRGKRZSA-N 0 0 317.455 0.906 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000178188287 396191278 /nfs/dbraw/zinc/19/12/78/396191278.db2.gz QNHOMPQNNKOFGP-OCCSQVGLSA-N 0 0 303.362 0.839 10 0 DCAERN C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)c1nnc2n1CCCC2 ZINC000178373623 396195125 /nfs/dbraw/zinc/19/51/25/396195125.db2.gz SYVUPVZIICCXJL-GHMZBOCLSA-N 0 0 314.411 0.774 10 0 DCAERN O=C(CCNC(=O)[C@H]1CC(F)(F)CN1)NCc1cccnc1 ZINC000262981276 396195638 /nfs/dbraw/zinc/19/56/38/396195638.db2.gz MUKSNIIHYPOWAU-LLVKDONJSA-N 0 0 312.320 0.201 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCCc2ccccn2)O1 ZINC000178404553 396195816 /nfs/dbraw/zinc/19/58/16/396195816.db2.gz ARCNFSCPNWIXFE-OLZOCXBDSA-N 0 0 306.366 0.346 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cc1-n1cnnn1 ZINC000076099192 396196709 /nfs/dbraw/zinc/19/67/09/396196709.db2.gz MIGNPQBTMYOHKW-ONGXEEELSA-N 0 0 300.322 0.434 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2ccccn2)CC1 ZINC000263013440 396197461 /nfs/dbraw/zinc/19/74/61/396197461.db2.gz QAIMYVLQJWLCQX-ZDUSSCGKSA-N 0 0 310.348 0.723 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000076222112 396198935 /nfs/dbraw/zinc/19/89/35/396198935.db2.gz QQYPKELLVWQKIO-SECBINFHSA-N 0 0 310.329 0.658 10 0 DCAERN Cc1nc(S(=O)(=O)NCc2ccc(CO)c(F)c2)cn1C ZINC000178627265 396202099 /nfs/dbraw/zinc/20/20/99/396202099.db2.gz RINARVCOPNDIGK-UHFFFAOYSA-N 0 0 313.354 0.838 10 0 DCAERN CC[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000076420208 396204082 /nfs/dbraw/zinc/20/40/82/396204082.db2.gz DZKQDHPEFDBKCP-AWEZNQCLSA-N 0 0 305.378 0.522 10 0 DCAERN O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263171292 396204156 /nfs/dbraw/zinc/20/41/56/396204156.db2.gz FTBRQQIMXYZVTL-NEPJUHHUSA-N 0 0 309.316 0.905 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCCC(=O)N(C)C ZINC000182362801 396249941 /nfs/dbraw/zinc/24/99/41/396249941.db2.gz QKYDEDVXLRQJRC-UHFFFAOYSA-N 0 0 319.365 0.575 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCCn1cccn1 ZINC000182365418 396249991 /nfs/dbraw/zinc/24/99/91/396249991.db2.gz CNBIDOMCPAQZSR-UHFFFAOYSA-N 0 0 300.322 0.603 10 0 DCAERN C[C@H]1Cc2ccccc2N1CCNC(=O)CN1CC(=O)NC1=O ZINC000078646494 396251394 /nfs/dbraw/zinc/25/13/94/396251394.db2.gz AIAKGLWQQKOQSI-NSHDSACASA-N 0 0 316.361 0.106 10 0 DCAERN COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C2CN(C(C)=O)C2)c1 ZINC000281988747 396254203 /nfs/dbraw/zinc/25/42/03/396254203.db2.gz AHGHATSFYTWZGF-GDBMZVCRSA-N 0 0 318.373 0.808 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cn(Cc2cccnc2)nn1 ZINC000182996089 396258287 /nfs/dbraw/zinc/25/82/87/396258287.db2.gz KDWFTUMYFROZSX-JSGCOSHPSA-N 0 0 314.393 0.807 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)NCc1noc(C)n1 ZINC000183010542 396258852 /nfs/dbraw/zinc/25/88/52/396258852.db2.gz WUSNBMBTSXZYRR-UHFFFAOYSA-N 0 0 302.294 0.598 10 0 DCAERN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183093760 396261379 /nfs/dbraw/zinc/26/13/79/396261379.db2.gz QQLSNBQQKANTFG-GWCFXTLKSA-N 0 0 304.350 0.218 10 0 DCAERN Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000264299966 396268527 /nfs/dbraw/zinc/26/85/27/396268527.db2.gz IYXHJSMIGYUMOO-YPMHNXCESA-N 0 0 307.398 0.427 10 0 DCAERN O=C(CNC(=O)NCCCn1ccnn1)Nc1ccccc1 ZINC000183550321 396270893 /nfs/dbraw/zinc/27/08/93/396270893.db2.gz DDZKOCXBIRZXMK-UHFFFAOYSA-N 0 0 302.338 0.606 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC(C)(CO)CC1 ZINC000183748143 396274017 /nfs/dbraw/zinc/27/40/17/396274017.db2.gz ZXBSGYYQSQOVER-UHFFFAOYSA-N 0 0 308.382 0.853 10 0 DCAERN Cc1noc([C@@H]2COCCN2C(=O)CNC(=O)CC(C)(C)C)n1 ZINC000183762874 396274887 /nfs/dbraw/zinc/27/48/87/396274887.db2.gz NFLSDKIDARYYKU-NSHDSACASA-N 0 0 324.381 0.830 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000183873772 396276475 /nfs/dbraw/zinc/27/64/75/396276475.db2.gz RWKPKVOWDHDAOI-LBPRGKRZSA-N 0 0 304.412 0.848 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000183859259 396276638 /nfs/dbraw/zinc/27/66/38/396276638.db2.gz UBFMYOMVLBTUAA-FIKIJFGZSA-N 0 0 317.455 0.973 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000183910352 396277344 /nfs/dbraw/zinc/27/73/44/396277344.db2.gz PMKOTZVWFFRLIZ-RYUDHWBXSA-N 0 0 303.428 0.597 10 0 DCAERN COc1cccc([C@H](O)CNC(=O)[C@H]2CC(F)(F)CN2)c1 ZINC000263318477 396213650 /nfs/dbraw/zinc/21/36/50/396213650.db2.gz ZVHLEYWLZZUUOA-VXGBXAGGSA-N 0 0 300.305 0.842 10 0 DCAERN CCN(CCc1nccs1)C(=O)CCNS(C)(=O)=O ZINC000178906448 396213769 /nfs/dbraw/zinc/21/37/69/396213769.db2.gz HLBNNNZOKZNQMW-UHFFFAOYSA-N 0 0 305.425 0.473 10 0 DCAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000178898090 396213806 /nfs/dbraw/zinc/21/38/06/396213806.db2.gz DZXWDGDDYVRCEL-LBPRGKRZSA-N 0 0 306.366 0.363 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000178918765 396214538 /nfs/dbraw/zinc/21/45/38/396214538.db2.gz GDCPPLZACZPNEA-YOEHRIQHSA-N 0 0 318.373 0.559 10 0 DCAERN CC(C)C(=O)NCCCNC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000178924508 396215490 /nfs/dbraw/zinc/21/54/90/396215490.db2.gz WKNIZIDAVNZEBX-NEPJUHHUSA-N 0 0 312.414 0.492 10 0 DCAERN Cc1ccc(C(=O)N2CCOCC2)cc1N[C@@H]1CCNC1=O ZINC000179046795 396219726 /nfs/dbraw/zinc/21/97/26/396219726.db2.gz BUXXYCXBKUEJGA-CYBMUJFWSA-N 0 0 303.362 0.768 10 0 DCAERN COc1ccccc1-c1nnc(S[C@@H]2CCNC2=O)n1N ZINC000179081948 396221044 /nfs/dbraw/zinc/22/10/44/396221044.db2.gz CXGDLKJUOOOZGF-SNVBAGLBSA-N 0 0 305.363 0.648 10 0 DCAERN O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1cccc2c1N=S=N2 ZINC000179183000 396224130 /nfs/dbraw/zinc/22/41/30/396224130.db2.gz OXZGHSXXWCWRMM-RKDXNWHRSA-N 0 0 308.363 0.779 10 0 DCAERN Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1C ZINC000077523489 396224879 /nfs/dbraw/zinc/22/48/79/396224879.db2.gz UHJRIVCCVOYMPB-ZDUSSCGKSA-N 0 0 320.393 0.440 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cc(C2CCCCC2)n[nH]1 ZINC000179424906 396226785 /nfs/dbraw/zinc/22/67/85/396226785.db2.gz LRYCAANHIYGSTR-JTQLQIEISA-N 0 0 304.350 0.992 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cnc(N(C)C)nc1 ZINC000179710862 396228995 /nfs/dbraw/zinc/22/89/95/396228995.db2.gz WMTINRJMEBUPKC-VHSXEESVSA-N 0 0 306.370 0.660 10 0 DCAERN CC1(C)CN(C(=O)C(=O)c2ccc(O)cc2)CCS1(=O)=O ZINC000280920209 396229726 /nfs/dbraw/zinc/22/97/26/396229726.db2.gz GGKUFHVASLYEBJ-UHFFFAOYSA-N 0 0 311.359 0.611 10 0 DCAERN CC(C)[C@H](NC[C@@H](O)CN1CCOCC1)c1nc(C2CC2)no1 ZINC000179813826 396229737 /nfs/dbraw/zinc/22/97/37/396229737.db2.gz DUUIIVDFJPSUFR-KGLIPLIRSA-N 0 0 324.425 0.927 10 0 DCAERN O=C(NCCNC(=O)c1cccnc1)NC[C@H]1CCCC[C@H]1O ZINC000077774086 396232821 /nfs/dbraw/zinc/23/28/21/396232821.db2.gz NPSXSFVCEUKFGM-TZMCWYRMSA-N 0 0 320.393 0.662 10 0 DCAERN CCCCOCCNC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000184973771 396312738 /nfs/dbraw/zinc/31/27/38/396312738.db2.gz MVFKKOGQKANBTO-CQSZACIVSA-N 0 0 301.431 0.901 10 0 DCAERN C[C@@H](O)C(=O)N1CCN(Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000185045271 396315474 /nfs/dbraw/zinc/31/54/74/396315474.db2.gz IDBPVMNETMNMKL-LLVKDONJSA-N 0 0 319.365 0.100 10 0 DCAERN CCc1nnc(CN2CCN(c3cc(OC)ncn3)CC2)o1 ZINC000184073266 396283930 /nfs/dbraw/zinc/28/39/30/396283930.db2.gz GQSWRTBIVISTDG-UHFFFAOYSA-N 0 0 304.354 0.753 10 0 DCAERN NC(=O)CSCC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000184141920 396286783 /nfs/dbraw/zinc/28/67/83/396286783.db2.gz UHWALTFGMLBNBQ-UHFFFAOYSA-N 0 0 316.386 0.978 10 0 DCAERN CN1CCO[C@@H](CNC(=O)CCc2cccc3c2OCO3)C1 ZINC000184279432 396288937 /nfs/dbraw/zinc/28/89/37/396288937.db2.gz RKWSDKDSKMMABD-ZDUSSCGKSA-N 0 0 306.362 0.795 10 0 DCAERN C[C@H]1OCC[C@@H]1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000184347339 396292695 /nfs/dbraw/zinc/29/26/95/396292695.db2.gz NEZPGFWOPYDAKL-YPMHNXCESA-N 0 0 312.391 0.513 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000184409170 396294041 /nfs/dbraw/zinc/29/40/41/396294041.db2.gz WJZDFQMIKDCUOS-ZYHUDNBSSA-N 0 0 304.412 0.532 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)CS(=O)(=O)C(C)C)CC1(C)C ZINC000081242135 396295519 /nfs/dbraw/zinc/29/55/19/396295519.db2.gz UXHGSMQPRKJDTA-UHFFFAOYSA-N 0 0 318.439 0.667 10 0 DCAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCNC(=O)C1 ZINC000184690326 396301639 /nfs/dbraw/zinc/30/16/39/396301639.db2.gz TVWKZUWAIFQQDM-UHFFFAOYSA-N 0 0 311.345 0.785 10 0 DCAERN CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000185238521 396322438 /nfs/dbraw/zinc/32/24/38/396322438.db2.gz JCBQQDTXWDDHOY-GFCCVEGCSA-N 0 0 309.410 0.618 10 0 DCAERN CCCNC(=O)NC(=O)CN1CC[S@@](=O)C(CC)(CC)C1 ZINC000185247623 396322925 /nfs/dbraw/zinc/32/29/25/396322925.db2.gz LKLPXAZEEXOPQE-OAQYLSRUSA-N 0 0 317.455 0.845 10 0 DCAERN C[C@H](NCC(=O)NC(N)=O)c1nc(Cc2ccccc2)no1 ZINC000185391690 396326939 /nfs/dbraw/zinc/32/69/39/396326939.db2.gz KEGVYBBUQCCMHX-VIFPVBQESA-N 0 0 303.322 0.506 10 0 DCAERN C/C=C/C[C@H](CO)NC(=O)NCc1cccnc1-n1cncn1 ZINC000185571918 396330637 /nfs/dbraw/zinc/33/06/37/396330637.db2.gz VAZRKLGUJXWXQR-YWVDXFKGSA-N 0 0 316.365 0.789 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)cc21 ZINC000185491220 396328873 /nfs/dbraw/zinc/32/88/73/396328873.db2.gz LHMYLQHNQBFBQW-UHFFFAOYSA-N 0 0 322.390 0.618 10 0 DCAERN CCN(C)C(=O)CNS(=O)(=O)c1cccc2ncccc21 ZINC000185995194 396339325 /nfs/dbraw/zinc/33/93/25/396339325.db2.gz ACCQHKOKVYQONV-UHFFFAOYSA-N 0 0 307.375 0.991 10 0 DCAERN CNC(=O)CC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000186023410 396339364 /nfs/dbraw/zinc/33/93/64/396339364.db2.gz FPVYTSPUVBFKEM-UHFFFAOYSA-N 0 0 305.378 0.636 10 0 DCAERN CC(=O)NC1(C(=O)N2CCO[C@]3(CCOC3)C2)CCCCC1 ZINC000186020105 396339496 /nfs/dbraw/zinc/33/94/96/396339496.db2.gz COOPYIPNGWKQAL-OAHLLOKOSA-N 0 0 310.394 0.843 10 0 DCAERN CCS(=O)(=O)CCN1CCN(c2cccs2)C(=O)C1 ZINC000186081567 396340392 /nfs/dbraw/zinc/34/03/92/396340392.db2.gz FTUBDNYEVAELDM-UHFFFAOYSA-N 0 0 302.421 0.831 10 0 DCAERN CNC(=O)CC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000186103278 396341086 /nfs/dbraw/zinc/34/10/86/396341086.db2.gz RAIWQJSUZJBLSH-ZDUSSCGKSA-N 0 0 318.377 0.211 10 0 DCAERN COC[C@H](C)S(=O)(=O)N1CCCN(c2ccccn2)CC1 ZINC000186108422 396341153 /nfs/dbraw/zinc/34/11/53/396341153.db2.gz MTTKDIBKQWSQKT-ZDUSSCGKSA-N 0 0 313.423 0.958 10 0 DCAERN O=C1CNC(=O)N1CCCN1CCN(c2cccs2)C(=O)C1 ZINC000186111121 396341232 /nfs/dbraw/zinc/34/12/32/396341232.db2.gz PBCOSWSKYIBADJ-UHFFFAOYSA-N 0 0 322.390 0.339 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000265753860 396341431 /nfs/dbraw/zinc/34/14/31/396341431.db2.gz PTGRFTRJKKGGES-VXGBXAGGSA-N 0 0 315.381 0.905 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000186132686 396341535 /nfs/dbraw/zinc/34/15/35/396341535.db2.gz VULDRCDUFHTUQM-QWRGUYRKSA-N 0 0 323.397 0.855 10 0 DCAERN CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccs2)C(=O)C1 ZINC000186117058 396341913 /nfs/dbraw/zinc/34/19/13/396341913.db2.gz XUXWLYSFBCVQNN-SNVBAGLBSA-N 0 0 324.406 0.631 10 0 DCAERN Nc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000186173489 396343003 /nfs/dbraw/zinc/34/30/03/396343003.db2.gz FOAYFQZQVQBJRL-UHFFFAOYSA-N 0 0 309.391 0.558 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC(=O)N(C)CC)cc1F ZINC000186748142 396356854 /nfs/dbraw/zinc/35/68/54/396356854.db2.gz PQFRULWLTMCBGX-UHFFFAOYSA-N 0 0 309.341 0.921 10 0 DCAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)NC1(CO)CCC1 ZINC000186774531 396357836 /nfs/dbraw/zinc/35/78/36/396357836.db2.gz JGIMMYSGOALFPC-ZDUSSCGKSA-N 0 0 318.377 0.791 10 0 DCAERN COC(=O)C[C@H]1CSCCN1C(=O)CCc1ccnn1C ZINC000186940122 396360594 /nfs/dbraw/zinc/36/05/94/396360594.db2.gz XAHTWUMSUAGDAZ-LBPRGKRZSA-N 0 0 311.407 0.860 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)CN2CCCC2=O)C12CCOCC2 ZINC000187076840 396362779 /nfs/dbraw/zinc/36/27/79/396362779.db2.gz KPCZPKVZTXXHAC-CHWSQXEVSA-N 0 0 310.394 0.699 10 0 DCAERN CN1C(=O)N[C@@H]2CN(Cc3ncnn3-c3ccccc3)CC[C@@H]21 ZINC000285943551 396363837 /nfs/dbraw/zinc/36/38/37/396363837.db2.gz MLLZDAWSAWNJCO-KGLIPLIRSA-N 0 0 312.377 0.865 10 0 DCAERN CSc1ccccc1S(=O)(=O)N1CCNC(=O)CC1 ZINC000187149160 396364513 /nfs/dbraw/zinc/36/45/13/396364513.db2.gz HREYMIMHTHSGLT-UHFFFAOYSA-N 0 0 300.405 0.919 10 0 DCAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000187187558 396365020 /nfs/dbraw/zinc/36/50/20/396365020.db2.gz HAYKVEVMKAKDPL-RKDXNWHRSA-N 0 0 321.303 0.548 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000187843275 396375310 /nfs/dbraw/zinc/37/53/10/396375310.db2.gz AGLBHAZUJPCPLL-RYUDHWBXSA-N 0 0 308.386 0.491 10 0 DCAERN O=C(CCc1nnc[nH]1)N1CCCN(c2ccccn2)CC1 ZINC000186420434 396349501 /nfs/dbraw/zinc/34/95/01/396349501.db2.gz OOJFYBKMWRNSGD-UHFFFAOYSA-N 0 0 300.366 0.871 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)Nc2cnc(C(C)C)nc2)C1 ZINC000285418179 396350025 /nfs/dbraw/zinc/35/00/25/396350025.db2.gz YXAJUBMXGQEXHH-HNNXBMFYSA-N 0 0 306.366 0.912 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000285702734 396352032 /nfs/dbraw/zinc/35/20/32/396352032.db2.gz XARPOCJGJRVCJZ-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC000286208156 396380884 /nfs/dbraw/zinc/38/08/84/396380884.db2.gz BYBZSMZLXIZBJU-UONOGXRCSA-N 0 0 303.362 0.331 10 0 DCAERN C[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188341306 396381837 /nfs/dbraw/zinc/38/18/37/396381837.db2.gz ADKNGWSHDHDMMS-SMDDNHRTSA-N 0 0 323.368 0.949 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000188601107 396383419 /nfs/dbraw/zinc/38/34/19/396383419.db2.gz UFLSJRVTNDINPA-UKRRQHHQSA-N 0 0 305.378 0.981 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188891433 396388462 /nfs/dbraw/zinc/38/84/62/396388462.db2.gz HZNAPJGMDPVOAU-SNVBAGLBSA-N 0 0 324.812 0.871 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)CC2 ZINC000188986965 396389123 /nfs/dbraw/zinc/38/91/23/396389123.db2.gz NYNZWNXOBLMLHN-WOPDTQHZSA-N 0 0 307.398 0.425 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)CCOCc1ccccc1 ZINC000189267474 396392953 /nfs/dbraw/zinc/39/29/53/396392953.db2.gz DNLOQKZEXUSTHC-HZPDHXFCSA-N 0 0 320.389 0.643 10 0 DCAERN COCCN1CCCN(C(=O)CCCCc2c[nH]nn2)CC1=O ZINC000189306307 396393432 /nfs/dbraw/zinc/39/34/32/396393432.db2.gz DVHBUAPJAYBJMJ-UHFFFAOYSA-N 0 0 323.397 0.225 10 0 DCAERN COc1ccc(O)c(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000286437268 396395565 /nfs/dbraw/zinc/39/55/65/396395565.db2.gz TUMQISUBUTWPPT-NEPJUHHUSA-N 0 0 305.334 0.639 10 0 DCAERN Cc1cc(N2CCN(C(=O)CCCCc3c[nH]nn3)CC2)n[nH]1 ZINC000189713653 396397630 /nfs/dbraw/zinc/39/76/30/396397630.db2.gz AOCKAABCNIGZRI-UHFFFAOYSA-N 0 0 317.397 0.898 10 0 DCAERN CCOC(=O)C(C)(C)C(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189736782 396398437 /nfs/dbraw/zinc/39/84/37/396398437.db2.gz BFWVECUBFWKCDF-UHFFFAOYSA-N 0 0 308.382 0.956 10 0 DCAERN Cc1ccc(-n2cccn2)cc1NC(=O)Cn1ncn(C)c1=O ZINC000189826052 396400063 /nfs/dbraw/zinc/40/00/63/396400063.db2.gz LZEUYNHCYNTGQR-UHFFFAOYSA-N 0 0 312.333 0.715 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000190007521 396401800 /nfs/dbraw/zinc/40/18/00/396401800.db2.gz QZPAWNMGBRTSLQ-UHFFFAOYSA-N 0 0 322.413 0.322 10 0 DCAERN CNC(=O)C[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190511424 396407054 /nfs/dbraw/zinc/40/70/54/396407054.db2.gz BNBQWJQYRJETTQ-CYBMUJFWSA-N 0 0 313.442 0.860 10 0 DCAERN Cc1cc(C)cc(C(=O)NCC(=O)N2CCCN(C)C(=O)C2)c1 ZINC000190634714 396409008 /nfs/dbraw/zinc/40/90/08/396409008.db2.gz QPYGXIALJSFZJZ-UHFFFAOYSA-N 0 0 317.389 0.724 10 0 DCAERN CCC(CC)NC(=O)[C@@H](C)N1CCCN(CCOC)C(=O)C1 ZINC000190772305 396411323 /nfs/dbraw/zinc/41/13/23/396411323.db2.gz GDHAWICKERCJHK-CYBMUJFWSA-N 0 0 313.442 0.860 10 0 DCAERN COCCN1CCCN(CC(=O)NCCC(C)(C)C)CC1=O ZINC000190800730 396411532 /nfs/dbraw/zinc/41/15/32/396411532.db2.gz BDVAFOYGVGFBOH-UHFFFAOYSA-N 0 0 313.442 0.720 10 0 DCAERN COCCN1CCCN([C@H](C)C(=O)N2CCCCC2)CC1=O ZINC000190809225 396411753 /nfs/dbraw/zinc/41/17/53/396411753.db2.gz UOPIFMYZKHIKCN-CQSZACIVSA-N 0 0 311.426 0.568 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)CCO1 ZINC000191010459 396413610 /nfs/dbraw/zinc/41/36/10/396413610.db2.gz QQCQKSMVLRBHDY-NSHDSACASA-N 0 0 309.366 0.769 10 0 DCAERN CCCc1cc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)n(C)n1 ZINC000191042391 396414439 /nfs/dbraw/zinc/41/44/39/396414439.db2.gz VFTSUSYHHMIQMT-UHFFFAOYSA-N 0 0 321.381 0.002 10 0 DCAERN CN1CCCN(CC(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000191104152 396416157 /nfs/dbraw/zinc/41/61/57/396416157.db2.gz HJIUMMZQDJMBAJ-UHFFFAOYSA-N 0 0 311.332 0.745 10 0 DCAERN COCCN1CCCN(C(=O)[C@H]2COc3ccccc32)CC1=O ZINC000191276897 396418159 /nfs/dbraw/zinc/41/81/59/396418159.db2.gz YPFDTMGGOTXZTN-AWEZNQCLSA-N 0 0 318.373 0.870 10 0 DCAERN CCc1nnc(C2CCN(C(=O)C(=O)c3cnn(C)c3)CC2)[nH]1 ZINC000191486241 396420437 /nfs/dbraw/zinc/42/04/37/396420437.db2.gz RPWIDZLDZOZIEB-UHFFFAOYSA-N 0 0 316.365 0.690 10 0 DCAERN CCN1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1=O ZINC000191553775 396421081 /nfs/dbraw/zinc/42/10/81/396421081.db2.gz WTTVILOFHNAYRY-UHFFFAOYSA-N 0 0 318.377 0.449 10 0 DCAERN CCN1CN(CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000191563811 396421351 /nfs/dbraw/zinc/42/13/51/396421351.db2.gz CIQRQWYWCTUSOV-JTQLQIEISA-N 0 0 307.316 0.909 10 0 DCAERN O=C(NCCOCC(F)F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000191635891 396422580 /nfs/dbraw/zinc/42/25/80/396422580.db2.gz FRVTXBGHJAYXIY-SECBINFHSA-N 0 0 306.231 0.977 10 0 DCAERN Cc1cc(N2CCC[C@@H](N3C(=O)N[C@@H](CF)C3=O)C2)n(C)n1 ZINC000287798788 396423765 /nfs/dbraw/zinc/42/37/65/396423765.db2.gz TZIXVJRHZFXGJO-MNOVXSKESA-N 0 0 309.345 0.587 10 0 DCAERN Cn1c2ccc(NC(=O)N3CCCN(C)C(=O)C3)cc2oc1=O ZINC000191935946 396427237 /nfs/dbraw/zinc/42/72/37/396427237.db2.gz XVFLORUHPBJJOV-UHFFFAOYSA-N 0 0 318.333 0.828 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1cccnc1N(C)C ZINC000192014622 396428822 /nfs/dbraw/zinc/42/88/22/396428822.db2.gz CNUZVPWFAPNKPP-JTQLQIEISA-N 0 0 314.411 0.044 10 0 DCAERN CNC(=O)CC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000192213752 396430587 /nfs/dbraw/zinc/43/05/87/396430587.db2.gz KBWDITDKFDOBBB-LBPRGKRZSA-N 0 0 307.325 0.179 10 0 DCAERN COc1cc2c(cc1F)ncnc2N[C@H]1CC(=O)N(C)C1=O ZINC000192627584 396434239 /nfs/dbraw/zinc/43/42/39/396434239.db2.gz VWQZNFBVVRKXMX-JTQLQIEISA-N 0 0 304.281 0.947 10 0 DCAERN CN(C)c1noc(CNC(=O)Cn2c3ccccc3[nH]c2=O)n1 ZINC000188007415 396377829 /nfs/dbraw/zinc/37/78/29/396377829.db2.gz GUFLADJCTNTBDN-UHFFFAOYSA-N 0 0 316.321 0.095 10 0 DCAERN Cc1cc(C)nc(SCC(=O)N2CCCNC(=O)[C@@H]2C)n1 ZINC000188067547 396378633 /nfs/dbraw/zinc/37/86/33/396378633.db2.gz ORVGUJMQYYUNEL-NSHDSACASA-N 0 0 308.407 0.923 10 0 DCAERN O=C([C@@H]1CCNC(=O)C1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000188084148 396378886 /nfs/dbraw/zinc/37/88/86/396378886.db2.gz JWPZIWHOXOMNDL-GFCCVEGCSA-N 0 0 317.393 0.462 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188104059 396379158 /nfs/dbraw/zinc/37/91/58/396379158.db2.gz SIYIPSYXEWXRMK-LBPRGKRZSA-N 0 0 312.391 0.874 10 0 DCAERN CN1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1=O ZINC000188171206 396379949 /nfs/dbraw/zinc/37/99/49/396379949.db2.gz LBKUSCMDTLOEGY-UHFFFAOYSA-N 0 0 317.320 0.972 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000193271589 396447762 /nfs/dbraw/zinc/44/77/62/396447762.db2.gz ACPISRBWWOSBNW-HWYHXSKPSA-N 0 0 307.325 0.779 10 0 DCAERN CCCCOC[C@H](O)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000193383167 396449897 /nfs/dbraw/zinc/44/98/97/396449897.db2.gz RPEYLHHOAQGTPK-UONOGXRCSA-N 0 0 323.393 0.515 10 0 DCAERN O=C(Nc1ccc(F)cn1)C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000193478743 396452071 /nfs/dbraw/zinc/45/20/71/396452071.db2.gz SUNLTGCYCDGEBQ-GXTWGEPZSA-N 0 0 315.304 0.934 10 0 DCAERN O=C(CN1CCN2CCOC[C@@H]2C1)N1CCCc2ccccc21 ZINC000371827995 396477942 /nfs/dbraw/zinc/47/79/42/396477942.db2.gz CDJIGDOUHMKCCF-INIZCTEOSA-N 0 0 315.417 0.982 10 0 DCAERN c1ccc(-n2nnnc2CN2CCN3CCOC[C@H]3C2)cc1 ZINC000371834738 396478228 /nfs/dbraw/zinc/47/82/28/396478228.db2.gz MQPAGXZDHNCJDJ-CQSZACIVSA-N 0 0 300.366 0.179 10 0 DCAERN O=C(CCn1cnc2ccccc21)N1CCN2CCOC[C@H]2C1 ZINC000371870239 396479256 /nfs/dbraw/zinc/47/92/56/396479256.db2.gz ONLIXQBVRPQORI-CQSZACIVSA-N 0 0 314.389 0.969 10 0 DCAERN O=C(c1ccc2nsnc2c1)N1CCN2CCOC[C@H]2C1 ZINC000371871394 396479417 /nfs/dbraw/zinc/47/94/17/396479417.db2.gz ZRHGSJMVNFFXHJ-LLVKDONJSA-N 0 0 304.375 0.848 10 0 DCAERN O=C(NCc1nccn1C(F)F)N1CCN2CCOC[C@H]2C1 ZINC000371986559 396481773 /nfs/dbraw/zinc/48/17/73/396481773.db2.gz RSJVFSKBNRFYLV-SNVBAGLBSA-N 0 0 315.324 0.504 10 0 DCAERN O=C(NC[C@H]1CCCCS1)C(=O)N1CCN(C2CC2)CC1 ZINC000580124038 396489084 /nfs/dbraw/zinc/48/90/84/396489084.db2.gz PDSIQEYGOYCBJV-CYBMUJFWSA-N 0 0 311.451 0.695 10 0 DCAERN COC[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1ccc(F)cc1 ZINC000530751868 396582530 /nfs/dbraw/zinc/58/25/30/396582530.db2.gz RYWYHGYMOMZMOT-CYBMUJFWSA-N 0 0 309.341 0.997 10 0 DCAERN Cn1ccnc1[C@@H]1CN(C(=O)C2(O)CCSCC2)CCN1C ZINC000372520382 396523979 /nfs/dbraw/zinc/52/39/79/396523979.db2.gz GDFXQRNHYAIGFD-LBPRGKRZSA-N 0 0 324.450 0.493 10 0 DCAERN CC(=O)N1CCN(C(=O)CCNC(=O)C2(CF)CCC2)CC1 ZINC000581075122 396524436 /nfs/dbraw/zinc/52/44/36/396524436.db2.gz QEOHWXVAJHPROX-UHFFFAOYSA-N 0 0 313.373 0.323 10 0 DCAERN NS(=O)(=O)C1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000372836727 396549082 /nfs/dbraw/zinc/54/90/82/396549082.db2.gz HCOBIWOAGNMWCH-CYBMUJFWSA-N 0 0 320.361 0.751 10 0 DCAERN Cc1nc([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCOCC2)no1 ZINC000581507747 396561112 /nfs/dbraw/zinc/56/11/12/396561112.db2.gz MSCUZWJYIYVYJA-VXGBXAGGSA-N 0 0 322.365 0.727 10 0 DCAERN NC(=O)[C@]1(O)CCN(Cc2cccc(Br)n2)C1 ZINC000292883597 396574321 /nfs/dbraw/zinc/57/43/21/396574321.db2.gz PVPMWVOVKLTCOV-NSHDSACASA-N 0 0 300.156 0.266 10 0 DCAERN CN1CC[C@H](NC(=O)NCC[C@@H]2COc3ccccc3O2)C1=O ZINC000581859002 396587333 /nfs/dbraw/zinc/58/73/33/396587333.db2.gz VBLDUVFQVXXIQH-NEPJUHHUSA-N 0 0 319.361 0.746 10 0 DCAERN Cc1cc(CCNC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)on1 ZINC000561953759 396648611 /nfs/dbraw/zinc/64/86/11/396648611.db2.gz JUNDKIBFXGMSKD-GFCCVEGCSA-N 0 0 321.381 0.771 10 0 DCAERN Cc1ccc(C(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1 ZINC000585735364 396651141 /nfs/dbraw/zinc/65/11/41/396651141.db2.gz XTXPVDZJGSRZPN-UHFFFAOYSA-N 0 0 324.402 0.720 10 0 DCAERN O=C(CCc1ccccn1)NCCCN1CCCS1(=O)=O ZINC000585733794 396651157 /nfs/dbraw/zinc/65/11/57/396651157.db2.gz YKBJZPKDRHZXOX-UHFFFAOYSA-N 0 0 311.407 0.556 10 0 DCAERN C[C@H](NC(=O)CN1CCOc2cccc(F)c2C1)C(=O)N(C)C ZINC000374551627 396671692 /nfs/dbraw/zinc/67/16/92/396671692.db2.gz MXBZTFIJBXOLEC-NSHDSACASA-N 0 0 323.368 0.613 10 0 DCAERN CCOCCONC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374669795 396679208 /nfs/dbraw/zinc/67/92/08/396679208.db2.gz OTGZADXSRWZKCX-QWHCGFSZSA-N 0 0 316.398 0.821 10 0 DCAERN C[C@@H](CO)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000374684968 396680069 /nfs/dbraw/zinc/68/00/69/396680069.db2.gz CESJILQVSFAAGP-JTQLQIEISA-N 0 0 304.412 0.030 10 0 DCAERN O=C(NCC1CC1)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374760194 396685524 /nfs/dbraw/zinc/68/55/24/396685524.db2.gz PGZZQNLMPXWTLS-CHWSQXEVSA-N 0 0 310.394 0.197 10 0 DCAERN C[C@H]1CCOCCN1C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000375002409 396703814 /nfs/dbraw/zinc/70/38/14/396703814.db2.gz CAAPYMSFWAPVBK-JTQLQIEISA-N 0 0 304.354 0.427 10 0 DCAERN CCc1nnc(N2CCC([C@H](O)C(N)=O)CC2)c(C#N)c1CC ZINC000299742661 396713753 /nfs/dbraw/zinc/71/37/53/396713753.db2.gz IDYGHGIKWIZSEZ-AWEZNQCLSA-N 0 0 317.393 0.536 10 0 DCAERN CCOC[C@H](C(=O)OC)N(C)C(=O)c1cn2cccnc2n1 ZINC000610940947 396788382 /nfs/dbraw/zinc/78/83/82/396788382.db2.gz UVIXWZDASPNHOD-LLVKDONJSA-N 0 0 306.322 0.379 10 0 DCAERN CCc1nc([C@@H]2CCCCN2C(=O)CN2CCOCC2=O)no1 ZINC000375668962 396793094 /nfs/dbraw/zinc/79/30/94/396793094.db2.gz MJBAACDIUIFMGC-NSHDSACASA-N 0 0 322.365 0.544 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000375419452 396742478 /nfs/dbraw/zinc/74/24/78/396742478.db2.gz HJVQYJQMEWGLTE-YJNKXOJESA-N 0 0 312.410 0.238 10 0 DCAERN CCNC(=O)NC(=O)CN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465572 396751461 /nfs/dbraw/zinc/75/14/61/396751461.db2.gz ONUTXQPXDKXKQY-SNVBAGLBSA-N 0 0 307.354 0.582 10 0 DCAERN Cn1ncc2c1nc(CN1C(=O)c3ccccc3C1=O)nc2N ZINC000306278223 396755964 /nfs/dbraw/zinc/75/59/64/396755964.db2.gz PTCOGFZCEVRHLC-UHFFFAOYSA-N 0 0 308.301 0.742 10 0 DCAERN O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC(=O)CC1 ZINC000309554778 396757807 /nfs/dbraw/zinc/75/78/07/396757807.db2.gz JZCSUTNDQHCUIH-UHFFFAOYSA-N 0 0 315.417 0.996 10 0 DCAERN CO[C@H]1C[C@H](CO)N(c2ccc(S(C)(=O)=O)cc2F)C1 ZINC000312445218 396765358 /nfs/dbraw/zinc/76/53/58/396765358.db2.gz CNGZKYZUCXXYGS-ZJUUUORDSA-N 0 0 303.355 0.815 10 0 DCAERN C[C@@H]1CCOCCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000375526152 396766198 /nfs/dbraw/zinc/76/61/98/396766198.db2.gz OXDHZMKZQMPRLY-SNVBAGLBSA-N 0 0 317.345 0.757 10 0 DCAERN CCCCOC[C@H](O)CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000312819247 396766370 /nfs/dbraw/zinc/76/63/70/396766370.db2.gz MNBHIGHKFCTVOJ-ZIAGYGMSSA-N 0 0 307.456 0.921 10 0 DCAERN Cn1cnnc1[C@H]1CN(C[C@H](O)COc2ccccc2)CCO1 ZINC000328625346 396824355 /nfs/dbraw/zinc/82/43/55/396824355.db2.gz DAEGQFOPXLCSTI-DZGCQCFKSA-N 0 0 318.377 0.628 10 0 DCAERN Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccnn3C)C2)cn1 ZINC000328636867 396829357 /nfs/dbraw/zinc/82/93/57/396829357.db2.gz VSMMLHGOZXMHJQ-CYBMUJFWSA-N 0 0 322.390 0.966 10 0 DCAERN O=C(CN1C[C@@H]2COC[C@H](C1)O2)N1CCO[C@H]2CCCC[C@H]21 ZINC000328701313 396830485 /nfs/dbraw/zinc/83/04/85/396830485.db2.gz WOUKFAMTUHSNBN-BARDWOONSA-N 0 0 310.394 0.256 10 0 DCAERN COC(=O)[C@@H](O)C1CCN(C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000611327188 396856008 /nfs/dbraw/zinc/85/60/08/396856008.db2.gz OBBFWTWIHAYITQ-ZDUSSCGKSA-N 0 0 324.381 0.815 10 0 DCAERN O=C(CN1CCOCC1=O)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000564705802 396858257 /nfs/dbraw/zinc/85/82/57/396858257.db2.gz BNUQJUZCVQBNBO-AWEZNQCLSA-N 0 0 319.361 0.452 10 0 DCAERN COC(=O)c1coc(CN2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000611430791 396866698 /nfs/dbraw/zinc/86/66/98/396866698.db2.gz BOYVRFJMHQISKR-UHFFFAOYSA-N 0 0 319.365 0.811 10 0 DCAERN COC(=O)c1cccc(C[S@@](=O)CC(=O)N(C)CC2CC2)n1 ZINC000564810317 396873628 /nfs/dbraw/zinc/87/36/28/396873628.db2.gz CBNIITBEWXTNQM-JOCHJYFZSA-N 0 0 324.402 0.985 10 0 DCAERN Cn1ccc(CCNC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000332750951 396891373 /nfs/dbraw/zinc/89/13/73/396891373.db2.gz AEHQJLQMTAWIBL-KBPBESRZSA-N 0 0 307.398 0.077 10 0 DCAERN C[C@H](CNC(=O)N1CCN2CCOC[C@H]2C1)c1nccs1 ZINC000376305210 396907257 /nfs/dbraw/zinc/90/72/57/396907257.db2.gz QFHXEMDIPCYJRR-VXGBXAGGSA-N 0 0 310.423 0.973 10 0 DCAERN CN1C(=O)CC[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000333412628 396923912 /nfs/dbraw/zinc/92/39/12/396923912.db2.gz QADVYXGIMDNPGD-NSHDSACASA-N 0 0 318.333 0.002 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c1 ZINC000611748100 396923185 /nfs/dbraw/zinc/92/31/85/396923185.db2.gz WWGUCPDAPUJRSY-RBSFLKMASA-N 0 0 320.345 0.021 10 0 DCAERN Cc1cc(CCNC(=O)[C@H]2COCCN2CC(F)(F)F)on1 ZINC000376484486 396934710 /nfs/dbraw/zinc/93/47/10/396934710.db2.gz KWFGWTLDDWBMMC-LLVKDONJSA-N 0 0 321.299 0.905 10 0 DCAERN O=C(N[C@@H]1COCC[C@H]1O)c1nscc1Br ZINC000630092458 396938511 /nfs/dbraw/zinc/93/85/11/396938511.db2.gz XLBXWGMUWJBLID-RNFRBKRXSA-N 0 0 307.169 0.785 10 0 DCAERN C[C@@H](NC(=O)N1CCNC(=O)C1)c1nnc2n1CCCCC2 ZINC000591605251 396940104 /nfs/dbraw/zinc/94/01/04/396940104.db2.gz RKHCZCHWEWACEA-SNVBAGLBSA-N 0 0 306.370 0.207 10 0 DCAERN O=S(=O)(N[C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1F ZINC000625596666 396942779 /nfs/dbraw/zinc/94/27/79/396942779.db2.gz LMFQUGPTVUXLPY-VHSXEESVSA-N 0 0 309.746 0.907 10 0 DCAERN NC(=O)C[C@H]1CCN(C(=O)NCCCNc2ccccn2)C1 ZINC000376579445 396949764 /nfs/dbraw/zinc/94/97/64/396949764.db2.gz OCDOJGUEOBXCBP-GFCCVEGCSA-N 0 0 305.382 0.791 10 0 DCAERN COc1ncccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000618681722 397012433 /nfs/dbraw/zinc/01/24/33/397012433.db2.gz SOZHQGCVFQDNGB-SNVBAGLBSA-N 0 0 313.379 0.196 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000377048435 397020570 /nfs/dbraw/zinc/02/05/70/397020570.db2.gz SDMINHOHPJQKJH-ZDEQEGDKSA-N 0 0 318.439 0.730 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(C)c1CC ZINC000618754418 397022628 /nfs/dbraw/zinc/02/26/28/397022628.db2.gz RCQLQJYURVJZNQ-VHSXEESVSA-N 0 0 324.381 0.169 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](C)C1CCC1 ZINC000618824774 397031387 /nfs/dbraw/zinc/03/13/87/397031387.db2.gz IKGWWLLSQOWILC-DCAQKATOSA-N 0 0 313.398 0.931 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NCC1(N2CCOCC2)CC1 ZINC000572225242 397035113 /nfs/dbraw/zinc/03/51/13/397035113.db2.gz FBHKMDXKHQZWOR-GFCCVEGCSA-N 0 0 303.428 0.170 10 0 DCAERN COC(=O)Cc1csc(NC(=O)[C@H]2CC(F)(F)CN2)n1 ZINC000592018397 397065245 /nfs/dbraw/zinc/06/52/45/397065245.db2.gz QREFONQTBYHTOD-SSDOTTSWSA-N 0 0 305.306 0.794 10 0 DCAERN COC(=O)c1ccc2c(c1)CN(C(=O)CN1CCOCC1=O)C2 ZINC000619215617 397099147 /nfs/dbraw/zinc/09/91/47/397099147.db2.gz NJMXJMHCKPEVRZ-UHFFFAOYSA-N 0 0 318.329 0.174 10 0 DCAERN CC(=O)c1cccc(NC(=O)N2CCO[C@@H](CC(N)=O)C2)c1 ZINC000626197985 397106803 /nfs/dbraw/zinc/10/68/03/397106803.db2.gz CHGLNRDTTUTRBW-ZDUSSCGKSA-N 0 0 305.334 0.997 10 0 DCAERN C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000630572112 397050368 /nfs/dbraw/zinc/05/03/68/397050368.db2.gz ZXJUGNFSKBHGRA-LSDHHAIUSA-N 0 0 319.405 0.911 10 0 DCAERN O=C(c1ccccc1OC1CC1)N1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000377266401 397058941 /nfs/dbraw/zinc/05/89/41/397058941.db2.gz QNHMIVABCMFYMU-HIFRSBDPSA-N 0 0 316.357 0.957 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1C ZINC000377941905 397168749 /nfs/dbraw/zinc/16/87/49/397168749.db2.gz NAOAYMYRDKGSMS-ZDUSSCGKSA-N 0 0 305.378 0.843 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1C ZINC000377941903 397168940 /nfs/dbraw/zinc/16/89/40/397168940.db2.gz NAOAYMYRDKGSMS-CYBMUJFWSA-N 0 0 305.378 0.843 10 0 DCAERN Cc1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cn1 ZINC000377948024 397169157 /nfs/dbraw/zinc/16/91/57/397169157.db2.gz FKPNJLQGGLATIM-CQSZACIVSA-N 0 0 303.362 0.900 10 0 DCAERN CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCCOCC2)c1 ZINC000377967284 397171792 /nfs/dbraw/zinc/17/17/92/397171792.db2.gz YYDLLXOTDKFFBS-UHFFFAOYSA-N 0 0 319.361 0.857 10 0 DCAERN C[C@H](C(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)C(=O)OC(C)(C)C ZINC000597839904 397119381 /nfs/dbraw/zinc/11/93/81/397119381.db2.gz ZUHIXRBDVGSZBZ-WYUUTHIRSA-N 0 0 309.366 0.651 10 0 DCAERN CCN1CC[C@H](NC(=O)NC[C@@H]2CCc3nnc(C)n3C2)C1=O ZINC000619803552 397196488 /nfs/dbraw/zinc/19/64/88/397196488.db2.gz LXTXZPLUAMSLPT-RYUDHWBXSA-N 0 0 320.397 0.069 10 0 DCAERN Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCNC(=O)CC1 ZINC000574241094 397248572 /nfs/dbraw/zinc/24/85/72/397248572.db2.gz QAMFBZFYHKAQPT-ZDUSSCGKSA-N 0 0 313.361 0.818 10 0 DCAERN COCc1cncc(C(=O)N[C@@](C)(COC)CC(=O)OC)c1 ZINC000613185499 397213125 /nfs/dbraw/zinc/21/31/25/397213125.db2.gz ONNQTJXQZUOSPO-OAHLLOKOSA-N 0 0 310.350 0.926 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619988308 397221021 /nfs/dbraw/zinc/22/10/21/397221021.db2.gz WESUEWIMRWNYJD-KBPBESRZSA-N 0 0 324.425 0.459 10 0 DCAERN CC(=O)N1CCC[C@@H](C(=O)NC2(CO)Cc3ccccc3C2)C1 ZINC000364595208 397225570 /nfs/dbraw/zinc/22/55/70/397225570.db2.gz XRSNQSNTXHAVPV-MRXNPFEDSA-N 0 0 316.401 0.891 10 0 DCAERN COC(=O)c1ccc(C(=O)NC2(CCO)CCOCC2)nc1 ZINC000613241126 397226064 /nfs/dbraw/zinc/22/60/64/397226064.db2.gz CVKYUXIMWBOOKV-UHFFFAOYSA-N 0 0 308.334 0.530 10 0 DCAERN CC(=O)N1CCN(C(=O)COCc2nccn2C)C(C)(C)C1 ZINC000613257233 397230235 /nfs/dbraw/zinc/23/02/35/397230235.db2.gz DMHGEJPSAKDGPD-UHFFFAOYSA-N 0 0 308.382 0.406 10 0 DCAERN O=C(c1nc2ccccc2c(=O)[nH]1)N1CC(F)(F)C[C@@H]1CO ZINC000364657277 397231181 /nfs/dbraw/zinc/23/11/81/397231181.db2.gz MAPPQPRAQVXRDL-MRVPVSSYSA-N 0 0 309.272 0.765 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCOCC[C@H]2C)C1 ZINC000378486797 397246686 /nfs/dbraw/zinc/24/66/86/397246686.db2.gz DLBPMTVIAHUDNP-KGLIPLIRSA-N 0 0 312.410 0.899 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@@]1(C)CO ZINC000620439266 397270557 /nfs/dbraw/zinc/27/05/57/397270557.db2.gz FQBQVYGNZNOXLH-YGRLFVJLSA-N 0 0 302.338 0.148 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000365366203 397271468 /nfs/dbraw/zinc/27/14/68/397271468.db2.gz RRYKEZDNLLLABD-KWCYVHTRSA-N 0 0 303.362 0.896 10 0 DCAERN CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1c(C)nn(C)c1C ZINC000385769244 397284625 /nfs/dbraw/zinc/28/46/25/397284625.db2.gz YMSNFQXYQDXDGM-RYUDHWBXSA-N 0 0 301.412 0.818 10 0 DCAERN C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1 ZINC000365530607 397291811 /nfs/dbraw/zinc/29/18/11/397291811.db2.gz AGHOAGBIFWBMET-NWDGAFQWSA-N 0 0 305.382 0.769 10 0 DCAERN Cc1nnc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000392177542 397305893 /nfs/dbraw/zinc/30/58/93/397305893.db2.gz VWZCSEVLZYVFQD-UHFFFAOYSA-N 0 0 309.376 0.900 10 0 DCAERN COCC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378539370 397253533 /nfs/dbraw/zinc/25/35/33/397253533.db2.gz IQGJPTVIIRGBLE-UHFFFAOYSA-N 0 0 310.375 0.236 10 0 DCAERN O=C(N[C@H]1CCO[C@H](C2CC2)C1)C(=O)N1CCN(C2CC2)CC1 ZINC000574357601 397260287 /nfs/dbraw/zinc/26/02/87/397260287.db2.gz CQMGIIVBIZYUEO-ZFWWWQNUSA-N 0 0 321.421 0.367 10 0 DCAERN CN1CCO[C@H]2CN(C(=O)c3cc4ccccc4c(=O)o3)C[C@H]21 ZINC000407954210 397334902 /nfs/dbraw/zinc/33/49/02/397334902.db2.gz FSBGKXOEOGENJV-HIFRSBDPSA-N 0 0 314.341 0.948 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)CC1=O ZINC000407952834 397334966 /nfs/dbraw/zinc/33/49/66/397334966.db2.gz AYWCGPKWGYATBM-LLVKDONJSA-N 0 0 308.382 0.012 10 0 DCAERN O=C1CN(S(=O)(=O)C[C@@H]2CCCCO2)CCN1C1CC1 ZINC000407957053 397336215 /nfs/dbraw/zinc/33/62/15/397336215.db2.gz MCWSIVMDJIRGKV-LBPRGKRZSA-N 0 0 302.396 0.192 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC(=O)N1C ZINC000407968515 397340408 /nfs/dbraw/zinc/34/04/08/397340408.db2.gz UDSAFIGHTXRVIR-SNVBAGLBSA-N 0 0 316.361 0.900 10 0 DCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000407968571 397340467 /nfs/dbraw/zinc/34/04/67/397340467.db2.gz GOAMZODGEQNJEM-VXGBXAGGSA-N 0 0 309.410 0.761 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000407968402 397340866 /nfs/dbraw/zinc/34/08/66/397340866.db2.gz SWIKVINXZZTHNW-GXTWGEPZSA-N 0 0 312.414 0.017 10 0 DCAERN CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000602207974 397344781 /nfs/dbraw/zinc/34/47/81/397344781.db2.gz CGILAIQUSMDVPU-LBPRGKRZSA-N 0 0 319.336 0.655 10 0 DCAERN C[C@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(N)=O)c2)CCN1C ZINC000408082459 397346607 /nfs/dbraw/zinc/34/66/07/397346607.db2.gz GTOODGLYBAPMJS-QWRGUYRKSA-N 0 0 311.407 0.499 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000408256063 397351368 /nfs/dbraw/zinc/35/13/68/397351368.db2.gz LILUMAYXOMCZHD-XQHKEYJVSA-N 0 0 317.407 0.626 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000408439937 397356760 /nfs/dbraw/zinc/35/67/60/397356760.db2.gz WSDAGQXDBOMFJC-CHWSQXEVSA-N 0 0 323.418 0.781 10 0 DCAERN Cc1cc(CCNC(=O)CN(C)c2ncnc3nc[nH]c32)on1 ZINC000577783234 397361058 /nfs/dbraw/zinc/36/10/58/397361058.db2.gz ITIFDBYVKPJYSI-UHFFFAOYSA-N 0 0 315.337 0.444 10 0 DCAERN CN1CC(=O)N(CCCC(=O)NCCOCC2CCC2)C1=O ZINC000577794624 397362009 /nfs/dbraw/zinc/36/20/09/397362009.db2.gz YOYVROHHAPRKLG-UHFFFAOYSA-N 0 0 311.382 0.594 10 0 DCAERN O=C(N[C@H]1CCN(C2CCOCC2)C1=O)N1CCSCC1 ZINC000365851147 397325068 /nfs/dbraw/zinc/32/50/68/397325068.db2.gz HUGCNCVDALFFKB-LBPRGKRZSA-N 0 0 313.423 0.525 10 0 DCAERN COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccncc1Br ZINC000599385931 397424799 /nfs/dbraw/zinc/42/47/99/397424799.db2.gz JFDAVYXCBZISGY-MWLCHTKSSA-N 0 0 315.167 0.952 10 0 DCAERN COC(=O)C1(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000614419676 397435010 /nfs/dbraw/zinc/43/50/10/397435010.db2.gz SWKGTCIPMIYSPD-AXFHLTTASA-N 0 0 309.366 0.248 10 0 DCAERN CC(C)[C@@H](C)N(C)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000459960399 397438683 /nfs/dbraw/zinc/43/86/83/397438683.db2.gz IQBFUZYCSIXNAW-WBMJQRKESA-N 0 0 309.410 0.618 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000614456602 397443014 /nfs/dbraw/zinc/44/30/14/397443014.db2.gz SZNLPZOUNBTAPI-FZMZJTMJSA-N 0 0 313.361 0.723 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC000472160827 397451031 /nfs/dbraw/zinc/45/10/31/397451031.db2.gz UXNOQUYPNFVKPB-SRVKXCTJSA-N 0 0 319.427 0.229 10 0 DCAERN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000368119407 397414499 /nfs/dbraw/zinc/41/44/99/397414499.db2.gz KOPKLQLLDFYWJE-BXUZGUMPSA-N 0 0 301.346 0.131 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1ccco1 ZINC000487095974 397465819 /nfs/dbraw/zinc/46/58/19/397465819.db2.gz MJKIQXMEUXEOMN-QWRGUYRKSA-N 0 0 310.350 0.785 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000487133686 397467319 /nfs/dbraw/zinc/46/73/19/397467319.db2.gz FUMGMVMTUFXDFU-FIQHERPVSA-N 0 0 314.382 0.374 10 0 DCAERN CC(=O)c1cccc(OCC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593862625 397460364 /nfs/dbraw/zinc/46/03/64/397460364.db2.gz KCMDHJDQSTVWHS-QENPMARHSA-N 0 0 307.371 1.000 10 0 DCAERN Cc1cc(C[C@H](C)NC(=O)N(C)[C@H](C)CS(C)(=O)=O)[nH]n1 ZINC000487535851 397474445 /nfs/dbraw/zinc/47/44/45/397474445.db2.gz JMBMFDPOCLYAMC-GXSJLCMTSA-N 0 0 316.427 0.724 10 0 DCAERN COc1ccccc1[C@@H](CO)NC(=O)COc1cnn(C)c1 ZINC000578767986 397482914 /nfs/dbraw/zinc/48/29/14/397482914.db2.gz KINOKBDWIHLBPS-CYBMUJFWSA-N 0 0 305.334 0.657 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ncccc1C ZINC000488326471 397489847 /nfs/dbraw/zinc/48/98/47/397489847.db2.gz FVZPFCHGDSTARW-QWRGUYRKSA-N 0 0 307.350 0.576 10 0 DCAERN Cn1c(=O)ccn(CC(=O)Nc2cccc3c2OCCC3)c1=O ZINC000370494250 397494754 /nfs/dbraw/zinc/49/47/54/397494754.db2.gz BBAJZCLLYRTDPL-UHFFFAOYSA-N 0 0 315.329 0.511 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCCOC1 ZINC000488169120 397486998 /nfs/dbraw/zinc/48/69/98/397486998.db2.gz YSZGUPYJGQWIST-ZIBATOQPSA-N 0 0 314.382 0.376 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1oc(C)nc1C ZINC000488258969 397488088 /nfs/dbraw/zinc/48/80/88/397488088.db2.gz BLGLPUIDUBIZDA-DTWKUNHWSA-N 0 0 311.338 0.478 10 0 DCAERN Cc1nc(CN(C)[C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)no1 ZINC000371131750 397547558 /nfs/dbraw/zinc/54/75/58/397547558.db2.gz CSBLYMWXFONGJP-LBPRGKRZSA-N 0 0 317.349 0.825 10 0 DCAERN O=S(=O)(C1COC1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000579545664 397578229 /nfs/dbraw/zinc/57/82/29/397578229.db2.gz FDRPIITYWRGOAL-CYBMUJFWSA-N 0 0 313.375 0.495 10 0 DCAERN COCCn1nc(C(=O)Nc2ccc3nccn3c2)ccc1=O ZINC000603809280 397621555 /nfs/dbraw/zinc/62/15/55/397621555.db2.gz XLAOQKRGSINIGR-UHFFFAOYSA-N 0 0 313.317 0.790 10 0 DCAERN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2nccn2c1 ZINC000603884296 397625331 /nfs/dbraw/zinc/62/53/31/397625331.db2.gz RIJPDAFCTGCUEX-NSHDSACASA-N 0 0 308.363 0.697 10 0 DCAERN CCOC(=O)C1CCN(C(=O)CN2CCN(C3CC3)CC2)CC1 ZINC000604473487 397641074 /nfs/dbraw/zinc/64/10/74/397641074.db2.gz MHZOIZJVWKXWOK-UHFFFAOYSA-N 0 0 323.437 0.568 10 0 DCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000608219178 397721263 /nfs/dbraw/zinc/72/12/63/397721263.db2.gz DXZOJPKLHSFLOA-CDGCEXEKSA-N 0 0 321.421 0.807 10 0 DCAERN NC(=O)COc1ccc(NC(=O)C(=O)NCCCC2CC2)cc1 ZINC000606096030 397677076 /nfs/dbraw/zinc/67/70/76/397677076.db2.gz GEVAWUGRIPRHDA-UHFFFAOYSA-N 0 0 319.361 0.796 10 0 DCAERN COCCn1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cn1 ZINC000608490209 397734146 /nfs/dbraw/zinc/73/41/46/397734146.db2.gz NMRGZPODWJWFMU-LOWVWBTDSA-N 0 0 321.381 0.660 10 0 DCAERN COC(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)cc1 ZINC000610497457 397826974 /nfs/dbraw/zinc/82/69/74/397826974.db2.gz BWHIFHOITOPDLI-UHFFFAOYSA-N 0 0 302.330 0.920 10 0 DCAERN O=C(CN1CCN(C2CC2)C(=O)C1)NC(=O)Nc1ccccc1 ZINC000610504681 397827681 /nfs/dbraw/zinc/82/76/81/397827681.db2.gz IBPRMUJMCSTSAG-UHFFFAOYSA-N 0 0 316.361 0.641 10 0 DCAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCC(=O)NC(C)(C)C ZINC000408392691 296613790 /nfs/dbraw/zinc/61/37/90/296613790.db2.gz GMXIVURATARICR-SNVBAGLBSA-N 0 0 319.427 0.120 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000284472871 286089375 /nfs/dbraw/zinc/08/93/75/286089375.db2.gz BHTWDMBMYSVPEX-WPRPVWTQSA-N 0 0 317.267 0.815 10 0 DCAERN COc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)on1 ZINC000367241590 286201260 /nfs/dbraw/zinc/20/12/60/286201260.db2.gz YTLFTFSAKXHCDV-GWCFXTLKSA-N 0 0 310.350 0.981 10 0 DCAERN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000329441382 304404571 /nfs/dbraw/zinc/40/45/71/304404571.db2.gz AIRCHWBPPTWQDN-MEWQQHAOSA-N 0 0 323.311 0.954 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000151948100 286650863 /nfs/dbraw/zinc/65/08/63/286650863.db2.gz WFMDFJOEJTZDBN-SECBINFHSA-N 0 0 317.411 0.793 10 0 DCAERN CC[C@@H](C)NC(=O)CN1CCN(CCC(=O)NC(C)C)CC1 ZINC000046512190 158001907 /nfs/dbraw/zinc/00/19/07/158001907.db2.gz VWONGANSVIYCFM-CQSZACIVSA-N 0 0 312.458 0.433 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)NCc2cscn2)cc1 ZINC000050685270 158011763 /nfs/dbraw/zinc/01/17/63/158011763.db2.gz WMUJYMXWDJXYTD-UHFFFAOYSA-N 0 0 311.388 0.981 10 0 DCAERN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCNC(=O)CC1 ZINC000054259040 158020267 /nfs/dbraw/zinc/02/02/67/158020267.db2.gz QOXUGBGXCXBFJF-VIFPVBQESA-N 0 0 317.349 0.005 10 0 DCAERN COc1ccccc1CCNC(=O)CN1CCNC(=O)CC1 ZINC000054258686 158020581 /nfs/dbraw/zinc/02/05/81/158020581.db2.gz OFOBFQFWBUKNDD-UHFFFAOYSA-N 0 0 305.378 0.176 10 0 DCAERN NC(=O)CCCNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000055251898 158023089 /nfs/dbraw/zinc/02/30/89/158023089.db2.gz GAQUGDHFTVZBBX-GFCCVEGCSA-N 0 0 323.418 0.663 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055247135 158023286 /nfs/dbraw/zinc/02/32/86/158023286.db2.gz QGZHQEYXPDMJQT-GFCCVEGCSA-N 0 0 310.375 0.521 10 0 DCAERN CCOCCOCC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000056971632 158023983 /nfs/dbraw/zinc/02/39/83/158023983.db2.gz TZZHBYPQGXZEKG-AWEZNQCLSA-N 0 0 302.415 0.513 10 0 DCAERN Cc1nc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)oc1C ZINC000064141990 158033236 /nfs/dbraw/zinc/03/32/36/158033236.db2.gz CZQVQULHTOFGEQ-UHFFFAOYSA-N 0 0 320.393 0.558 10 0 DCAERN CC(=O)N[C@@H](CC(=O)N1CCNC(=O)CC1)c1ccc(C)cc1 ZINC000065903211 158034883 /nfs/dbraw/zinc/03/48/83/158034883.db2.gz OABMBOZIUYALHK-HNNXBMFYSA-N 0 0 317.389 0.911 10 0 DCAERN O=C(CN1CCNC(=O)CC1)N(Cc1ccccc1)C1CC1 ZINC000065954579 158035118 /nfs/dbraw/zinc/03/51/18/158035118.db2.gz CVXOVNJGVQZHOB-UHFFFAOYSA-N 0 0 301.390 1.000 10 0 DCAERN O=C(CCCNC(=O)c1ccc(F)cc1)N1CCNC(=O)CC1 ZINC000065901796 158035178 /nfs/dbraw/zinc/03/51/78/158035178.db2.gz VUOWLHIXCNEOLJ-UHFFFAOYSA-N 0 0 321.352 0.684 10 0 DCAERN CC(=O)N[C@H](CC(=O)NCCN1CCOCC1)c1ccccc1 ZINC000067848665 158040682 /nfs/dbraw/zinc/04/06/82/158040682.db2.gz DLXVXJVQERVBDS-MRXNPFEDSA-N 0 0 319.405 0.702 10 0 DCAERN O=C1CNC(=O)N1CCCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000068142118 158041709 /nfs/dbraw/zinc/04/17/09/158041709.db2.gz MKXFQJROQINRCF-UHFFFAOYSA-N 0 0 318.301 0.680 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCNC(=O)c1ccco1 ZINC000068101025 158041717 /nfs/dbraw/zinc/04/17/17/158041717.db2.gz RUFZSIPOLWEIEO-QWRGUYRKSA-N 0 0 307.350 0.512 10 0 DCAERN NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CCO1 ZINC000072526207 158051021 /nfs/dbraw/zinc/05/10/21/158051021.db2.gz XKZKKPOWVSYUOD-AVGNSLFASA-N 0 0 321.381 0.263 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000072751966 158051980 /nfs/dbraw/zinc/05/19/80/158051980.db2.gz HCKOKHFEGWVHBP-VXGBXAGGSA-N 0 0 318.439 0.684 10 0 DCAERN C[C@@H]1CC[C@H](C)N(C(=O)Cn2cnc3c(cnn3C)c2=O)C1 ZINC000075288410 158061859 /nfs/dbraw/zinc/06/18/59/158061859.db2.gz MQEHYPRZNKPKFG-MNOVXSKESA-N 0 0 303.366 0.777 10 0 DCAERN CCCn1nccc1NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O ZINC000075598420 158062506 /nfs/dbraw/zinc/06/25/06/158062506.db2.gz NPSXQAUOXBUMMJ-AWEZNQCLSA-N 0 0 307.354 0.952 10 0 DCAERN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)ccc1F ZINC000076097798 158063361 /nfs/dbraw/zinc/06/33/61/158063361.db2.gz ZHVTUEIKVPMSAP-WRWORJQWSA-N 0 0 318.312 0.573 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CNC(=O)COc1ccccc1 ZINC000077139232 158066853 /nfs/dbraw/zinc/06/68/53/158066853.db2.gz DKWYYBDQSHKYGA-CHWSQXEVSA-N 0 0 306.362 0.817 10 0 DCAERN CCOC(=O)[C@@H]1CCCN(C(=O)CN2[C@@H](C)COC[C@@H]2C)C1 ZINC000077657639 158068982 /nfs/dbraw/zinc/06/89/82/158068982.db2.gz FGUVHLUZDGBCPV-MELADBBJSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCC(=O)N1CCc2ccccc21 ZINC000077806915 158070602 /nfs/dbraw/zinc/07/06/02/158070602.db2.gz GQYNLNSNWPDPOT-RYUDHWBXSA-N 0 0 305.378 0.892 10 0 DCAERN CC(C)(C)C(=O)N1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000079070783 158077699 /nfs/dbraw/zinc/07/76/99/158077699.db2.gz MPJQRBPUDRAZAJ-UHFFFAOYSA-N 0 0 324.425 0.509 10 0 DCAERN CC(=O)N1CCC(CCC(=O)N2CCCC[C@@H]2C(N)=O)CC1 ZINC000079503255 158078875 /nfs/dbraw/zinc/07/88/75/158078875.db2.gz OHMLUOTXYFHNRE-CQSZACIVSA-N 0 0 309.410 0.892 10 0 DCAERN CC(C)OCCS(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000080782994 158082838 /nfs/dbraw/zinc/08/28/38/158082838.db2.gz CAAJTDURIDGCAL-ZDUSSCGKSA-N 0 0 312.391 0.658 10 0 DCAERN CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-n2cncn2)c1 ZINC000081441300 158084402 /nfs/dbraw/zinc/08/44/02/158084402.db2.gz GHXPNAOXLHJSIT-NSHDSACASA-N 0 0 301.350 0.721 10 0 DCAERN O=C(c1cccc(N2CCCNC2=O)c1)N1CCS(=O)CC1 ZINC000081411964 158084597 /nfs/dbraw/zinc/08/45/97/158084597.db2.gz ZMOIBEGGGFPPBU-UHFFFAOYSA-N 0 0 321.402 0.811 10 0 DCAERN O=C(NC[C@]1(O)CCSC1)c1cccc(-n2cncn2)c1 ZINC000082970834 158086966 /nfs/dbraw/zinc/08/69/66/158086966.db2.gz UNJFMTHDEVBLAX-CQSZACIVSA-N 0 0 304.375 0.865 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000088200101 158093301 /nfs/dbraw/zinc/09/33/01/158093301.db2.gz AEPYZUSHRSTOSZ-GHMZBOCLSA-N 0 0 320.397 0.582 10 0 DCAERN CN(CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(N)=O ZINC000090500332 158103860 /nfs/dbraw/zinc/10/38/60/158103860.db2.gz YBCVTWFFDVURPQ-CYBMUJFWSA-N 0 0 318.377 0.304 10 0 DCAERN CCn1cc(Br)cc1C(=O)NC[C@](C)(O)CO ZINC000090287275 158104118 /nfs/dbraw/zinc/10/41/18/158104118.db2.gz QJDLHFDZFAVBMG-NSHDSACASA-N 0 0 305.172 0.744 10 0 DCAERN CCn1c(C)nnc1CSCc1nc(N)nc(N(C)C)n1 ZINC000091027562 158107097 /nfs/dbraw/zinc/10/70/97/158107097.db2.gz HQWZNEQBPUJFBU-UHFFFAOYSA-N 0 0 308.415 0.873 10 0 DCAERN COCc1cc(NC(=O)N[C@@H]2CCc3nc(C)nn3C2)ncn1 ZINC000093311149 158121546 /nfs/dbraw/zinc/12/15/46/158121546.db2.gz HONRPOLBKCBXNJ-SNVBAGLBSA-N 0 0 317.353 0.659 10 0 DCAERN CCS(=O)(=O)CC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000097029899 158123918 /nfs/dbraw/zinc/12/39/18/158123918.db2.gz VTHRUXBOOIOKEM-LBPRGKRZSA-N 0 0 318.439 0.133 10 0 DCAERN COc1cccc(S(=O)(=O)CCN2CCNC(=O)CC2)c1 ZINC000102398253 158126902 /nfs/dbraw/zinc/12/69/02/158126902.db2.gz KHEAMNQMPDESHG-UHFFFAOYSA-N 0 0 312.391 0.291 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000112364297 158141758 /nfs/dbraw/zinc/14/17/58/158141758.db2.gz SWWYDZYSGHFQQO-RYUDHWBXSA-N 0 0 306.428 0.699 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000112364298 158142188 /nfs/dbraw/zinc/14/21/88/158142188.db2.gz SWWYDZYSGHFQQO-VXGBXAGGSA-N 0 0 306.428 0.699 10 0 DCAERN COCC1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000112364296 158142646 /nfs/dbraw/zinc/14/26/46/158142646.db2.gz SWWYDZYSGHFQQO-TXEJJXNPSA-N 0 0 306.428 0.699 10 0 DCAERN CCOC(=O)N[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)C(C)C ZINC000112647427 158142900 /nfs/dbraw/zinc/14/29/00/158142900.db2.gz BSQITQRXEZWOIG-PWSUYJOCSA-N 0 0 309.370 0.480 10 0 DCAERN CC(=O)Nc1nc(C(=O)N[C@@H]2CCc3ncnn3C2)cs1 ZINC000112651030 158144215 /nfs/dbraw/zinc/14/42/15/158144215.db2.gz RWKOQTHBEZUJEC-MRVPVSSYSA-N 0 0 306.351 0.438 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000113402824 158147346 /nfs/dbraw/zinc/14/73/46/158147346.db2.gz BYUDMJRVMLOACC-UHFFFAOYSA-N 0 0 308.313 0.519 10 0 DCAERN CC[C@@H](C)NC(=O)[C@@H]1COc2ccc(S(N)(=O)=O)cc2C1 ZINC000113650584 158149269 /nfs/dbraw/zinc/14/92/69/158149269.db2.gz WZPZONVOHUNERP-KOLCDFICSA-N 0 0 312.391 0.800 10 0 DCAERN CNC(=O)CNC(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000114583691 158154516 /nfs/dbraw/zinc/15/45/16/158154516.db2.gz KADBFRBOTQAJHX-LBPRGKRZSA-N 0 0 304.350 0.227 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCNC(=O)OC)CC2 ZINC000114870871 158158999 /nfs/dbraw/zinc/15/89/99/158158999.db2.gz HYUKYNKNTCVXJR-JTQLQIEISA-N 0 0 309.370 0.408 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCc1cnn(C)c1)CC2 ZINC000114869819 158159245 /nfs/dbraw/zinc/15/92/45/158159245.db2.gz JTDBCYNOEILZSP-LBPRGKRZSA-N 0 0 302.382 0.638 10 0 DCAERN CC(C)(NC(=O)CN1C(=O)NC(C)(C)C1=O)c1nccs1 ZINC000116142981 158164802 /nfs/dbraw/zinc/16/48/02/158164802.db2.gz SDCQOADRFYZAPX-UHFFFAOYSA-N 0 0 310.379 0.825 10 0 DCAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116318141 158166399 /nfs/dbraw/zinc/16/63/99/158166399.db2.gz ISSYTUJAIYGFTK-MNOVXSKESA-N 0 0 316.413 0.804 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2ccccc2F)C1 ZINC000116888637 158166844 /nfs/dbraw/zinc/16/68/44/158166844.db2.gz XIHMYBXKBIZWMY-SNVBAGLBSA-N 0 0 315.370 0.388 10 0 DCAERN CCCCCNC(=O)[C@H](C)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891545 158168717 /nfs/dbraw/zinc/16/87/17/158168717.db2.gz MOEHHGAYBMZVMI-RYUDHWBXSA-N 0 0 305.444 0.305 10 0 DCAERN CC(C)c1noc([C@@H](C)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000116891489 158169099 /nfs/dbraw/zinc/16/90/99/158169099.db2.gz SUSSHCCBDPHECK-ZJUUUORDSA-N 0 0 302.400 0.878 10 0 DCAERN COCCN1CCN(C(=O)NCc2cccc(OC)n2)C[C@H]1C ZINC000117487705 158171298 /nfs/dbraw/zinc/17/12/98/158171298.db2.gz CREVRRUAINQFAY-CYBMUJFWSA-N 0 0 322.409 0.952 10 0 DCAERN Cn1cc(N2CC[C@@H](NC(=O)c3ccc(C=O)cc3)C2=O)cn1 ZINC000117831814 158174597 /nfs/dbraw/zinc/17/45/97/158174597.db2.gz NRFKVIIOGUUOFN-CQSZACIVSA-N 0 0 312.329 0.768 10 0 DCAERN CN(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000118115466 158175709 /nfs/dbraw/zinc/17/57/09/158175709.db2.gz CDFMZPFWLSUJRM-LBPRGKRZSA-N 0 0 320.393 0.138 10 0 DCAERN CCCCS(=O)(=O)N1CCC(C(=O)NCC[C@@H](C)O)CC1 ZINC000118721073 158178114 /nfs/dbraw/zinc/17/81/14/158178114.db2.gz JOGFPZYBPXOZFR-GFCCVEGCSA-N 0 0 320.455 0.715 10 0 DCAERN O=C(NC[C@]1(CCO)CCOC1)c1cccc(-n2cncn2)c1 ZINC000118969212 158181583 /nfs/dbraw/zinc/18/15/83/158181583.db2.gz ILRZAZNAKCMEDT-INIZCTEOSA-N 0 0 316.361 0.786 10 0 DCAERN CC(C)CCn1cc(C(=O)NC[C@]2(CCO)CCOC2)nn1 ZINC000119045605 158182355 /nfs/dbraw/zinc/18/23/55/158182355.db2.gz DTIJTUILZGOXRB-HNNXBMFYSA-N 0 0 310.398 0.843 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000119994312 158191668 /nfs/dbraw/zinc/19/16/68/158191668.db2.gz JQKOXRPZTGLNSQ-QWHCGFSZSA-N 0 0 304.394 0.680 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C2(O)CCCC2)C1 ZINC000120264431 158196924 /nfs/dbraw/zinc/19/69/24/158196924.db2.gz FWPCSIWPDWYABS-LLVKDONJSA-N 0 0 304.412 0.220 10 0 DCAERN CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1c1nncn1C ZINC000120384355 158197379 /nfs/dbraw/zinc/19/73/79/158197379.db2.gz JHQLOIQRMYQUJA-SNVBAGLBSA-N 0 0 304.358 0.289 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000120480963 158198906 /nfs/dbraw/zinc/19/89/06/158198906.db2.gz ZOPDVBOOIODEBP-UWVGGRQHSA-N 0 0 300.380 0.940 10 0 DCAERN Cc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000120514195 158199687 /nfs/dbraw/zinc/19/96/87/158199687.db2.gz BOOUUTOQYBGNEX-GFCCVEGCSA-N 0 0 303.362 0.979 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000120683539 158201993 /nfs/dbraw/zinc/20/19/93/158201993.db2.gz VHLDVMBQDJQDPP-LLVKDONJSA-N 0 0 319.365 0.795 10 0 DCAERN CC(C)CC(=O)NCCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000120922144 158205471 /nfs/dbraw/zinc/20/54/71/158205471.db2.gz FCJGHHVUEDIZTB-CQSZACIVSA-N 0 0 311.426 0.518 10 0 DCAERN CCN(CC)C(=O)CCC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000121097926 158207829 /nfs/dbraw/zinc/20/78/29/158207829.db2.gz HVZSOMKHXIHVNT-GFCCVEGCSA-N 0 0 324.381 0.927 10 0 DCAERN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000121682718 158212613 /nfs/dbraw/zinc/21/26/13/158212613.db2.gz DBMNZLVLCSJKJY-CVEARBPZSA-N 0 0 309.454 0.897 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)C[C@@H](C)O1 ZINC000121759570 158214003 /nfs/dbraw/zinc/21/40/03/158214003.db2.gz SEPPROHJDPXOLX-LPWJVIDDSA-N 0 0 306.428 0.481 10 0 DCAERN Cc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122347907 158221142 /nfs/dbraw/zinc/22/11/42/158221142.db2.gz PCOBTMBQBWFTRF-LLVKDONJSA-N 0 0 310.375 0.579 10 0 DCAERN CCN1C[C@@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1=O ZINC000123354005 158229250 /nfs/dbraw/zinc/22/92/50/158229250.db2.gz HXSNNBUJACMHDU-GXTWGEPZSA-N 0 0 303.362 0.930 10 0 DCAERN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000123485614 158230481 /nfs/dbraw/zinc/23/04/81/158230481.db2.gz DLYLODYCEMXGCI-PSASIEDQSA-N 0 0 310.379 0.597 10 0 DCAERN Cc1nc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)no1 ZINC000123695304 158232969 /nfs/dbraw/zinc/23/29/69/158232969.db2.gz SYDFEQGCDZDJTJ-UHFFFAOYSA-N 0 0 318.381 0.686 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N1CCN(C2CC2)CC1 ZINC000124685332 158245000 /nfs/dbraw/zinc/24/50/00/158245000.db2.gz GWVJCXFMJTXQRP-UHFFFAOYSA-N 0 0 308.426 0.925 10 0 DCAERN CCOCCO[C@H](C)C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127106477 158270105 /nfs/dbraw/zinc/27/01/05/158270105.db2.gz JGUOJCLEAHYTHB-KGLIPLIRSA-N 0 0 310.398 0.958 10 0 DCAERN O=C(c1cccc(Cl)c1F)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000127368730 158272855 /nfs/dbraw/zinc/27/28/55/158272855.db2.gz BAUGXAOHWNQWHJ-ZDUSSCGKSA-N 0 0 311.700 0.903 10 0 DCAERN O=C(CCOC[C@@H]1CCCO1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127327194 158273079 /nfs/dbraw/zinc/27/30/79/158273079.db2.gz QOGQXWGDIFKIFN-GJZGRUSLSA-N 0 0 312.410 0.552 10 0 DCAERN COCCc1cc(NC(=O)N2CCNC(=O)[C@H]2C(C)C)n(C)n1 ZINC000127504160 158274033 /nfs/dbraw/zinc/27/40/33/158274033.db2.gz KTAWRXQQIPUMIB-CYBMUJFWSA-N 0 0 323.397 0.597 10 0 DCAERN CN(C)S(=O)(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000127943305 158277586 /nfs/dbraw/zinc/27/75/86/158277586.db2.gz RZSHUYIAHGOPPX-VIFPVBQESA-N 0 0 304.803 0.710 10 0 DCAERN CN1C[C@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)CCC1=O ZINC000128555621 158281532 /nfs/dbraw/zinc/28/15/32/158281532.db2.gz NNIKOZRNEKXXGT-OLZOCXBDSA-N 0 0 309.341 0.779 10 0 DCAERN CCCCOC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000128459875 158281644 /nfs/dbraw/zinc/28/16/44/158281644.db2.gz HKMYNTRDJZSWGZ-CYBMUJFWSA-N 0 0 318.439 0.830 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000128635471 158282258 /nfs/dbraw/zinc/28/22/58/158282258.db2.gz NWVVDUNJHCIVHJ-ZDUSSCGKSA-N 0 0 324.425 0.507 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000128605570 158282740 /nfs/dbraw/zinc/28/27/40/158282740.db2.gz JSBCYKFGYQYKGG-NSHDSACASA-N 0 0 311.407 0.954 10 0 DCAERN CNC(=O)C1(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000128913271 158285032 /nfs/dbraw/zinc/28/50/32/158285032.db2.gz FCLCUZOSLFQFSA-LLVKDONJSA-N 0 0 313.361 0.971 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)[C@@H](C)CO ZINC000130022878 158293755 /nfs/dbraw/zinc/29/37/55/158293755.db2.gz KHUANXACAHAJMY-IUCAKERBSA-N 0 0 318.395 0.585 10 0 DCAERN O=S(=O)(c1c(F)cccc1Cl)N1CCN(CCO)CC1 ZINC000131018851 158299483 /nfs/dbraw/zinc/29/94/83/158299483.db2.gz RZUKEGWKBPHOCC-UHFFFAOYSA-N 0 0 322.789 0.778 10 0 DCAERN C[C@H](CO)[C@H](C)NC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000131320901 158302252 /nfs/dbraw/zinc/30/22/52/158302252.db2.gz ZJIXGQHNBXCYIV-QBHFIFKDSA-N 0 0 320.455 0.618 10 0 DCAERN COCC(=O)N[C@H](C(=O)NCc1nccn1CC(C)C)C(C)C ZINC000131276437 158302261 /nfs/dbraw/zinc/30/22/61/158302261.db2.gz VIPNEXVBVNLMLM-HNNXBMFYSA-N 0 0 324.425 0.943 10 0 DCAERN COC[C@@H](O)CCNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000131800493 158305831 /nfs/dbraw/zinc/30/58/31/158305831.db2.gz IBFRIKRKJOMKIQ-AWEZNQCLSA-N 0 0 322.409 0.747 10 0 DCAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000132343887 158310787 /nfs/dbraw/zinc/31/07/87/158310787.db2.gz BPEUCNASGHOLQP-OCCSQVGLSA-N 0 0 305.378 0.476 10 0 DCAERN O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccnc1-n1ccnc1 ZINC000133456418 158318992 /nfs/dbraw/zinc/31/89/92/158318992.db2.gz ILLCMSAEGXFAAD-CYBMUJFWSA-N 0 0 317.418 0.979 10 0 DCAERN C[C@@]1(O)CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC000134155070 158323946 /nfs/dbraw/zinc/32/39/46/158323946.db2.gz GLDFYHLTWYTFKH-OAHLLOKOSA-N 0 0 308.382 0.145 10 0 DCAERN CC(C)NS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000134324430 158325834 /nfs/dbraw/zinc/32/58/34/158325834.db2.gz RZKKABHJIILGIB-CHWSQXEVSA-N 0 0 317.455 0.398 10 0 DCAERN Cc1cnn(CCNC(=O)N[C@H](C)CCS(C)(=O)=O)c1 ZINC000134768032 158331285 /nfs/dbraw/zinc/33/12/85/158331285.db2.gz ITASYHUKWZGBKB-LLVKDONJSA-N 0 0 302.400 0.314 10 0 DCAERN COCc1ccc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)o1 ZINC000135108782 158334110 /nfs/dbraw/zinc/33/41/10/158334110.db2.gz WSVMEXHFCWCWSI-SNVBAGLBSA-N 0 0 320.349 0.909 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135311413 158335129 /nfs/dbraw/zinc/33/51/29/158335129.db2.gz YDTCFEYJZFCERE-JTQLQIEISA-N 0 0 318.385 0.602 10 0 DCAERN CC(C)n1nnnc1CN1CCC(N2CCCNC2=O)CC1 ZINC000135423952 158336490 /nfs/dbraw/zinc/33/64/90/158336490.db2.gz HWALPPDHDRCHBU-UHFFFAOYSA-N 0 0 307.402 0.634 10 0 DCAERN CCc1cnccc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000137138495 158345274 /nfs/dbraw/zinc/34/52/74/158345274.db2.gz SRZJORSWSLLTNO-CQSZACIVSA-N 0 0 313.361 0.913 10 0 DCAERN COCCN(C)S(=O)(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000167583246 158369929 /nfs/dbraw/zinc/36/99/29/158369929.db2.gz VMMHWHWGMYRZRH-YPMHNXCESA-N 0 0 314.407 0.964 10 0 DCAERN O=C(CNC(=O)c1ccccc1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000170187518 158373852 /nfs/dbraw/zinc/37/38/52/158373852.db2.gz LVNZUOROYHYIOU-INIZCTEOSA-N 0 0 301.346 0.155 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CCN(c2cccnn2)CC1 ZINC000170649925 158374779 /nfs/dbraw/zinc/37/47/79/158374779.db2.gz XLXATOLTQDPBLZ-UHFFFAOYSA-N 0 0 320.397 0.225 10 0 DCAERN CC(C)[C@@H](C)CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000170782934 158376708 /nfs/dbraw/zinc/37/67/08/158376708.db2.gz SCTUQOAUYUFGJN-LBPRGKRZSA-N 0 0 308.386 0.026 10 0 DCAERN O=C(C1=NNC(=O)CC1)N1CCCN(Cc2cscn2)CC1 ZINC000171023576 158379763 /nfs/dbraw/zinc/37/97/63/158379763.db2.gz NRONFAVXRZNTKX-UHFFFAOYSA-N 0 0 321.406 0.443 10 0 DCAERN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](n2cncn2)C1 ZINC000171702079 158386235 /nfs/dbraw/zinc/38/62/35/158386235.db2.gz SEJRILINPRIFCR-MNOVXSKESA-N 0 0 317.401 0.509 10 0 DCAERN CCOCCS(=O)(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000171834677 158387618 /nfs/dbraw/zinc/38/76/18/158387618.db2.gz LOAFVXVGSPEUOC-ZDUSSCGKSA-N 0 0 317.411 0.259 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000171767916 158387806 /nfs/dbraw/zinc/38/78/06/158387806.db2.gz NEAJHYQJVPULDX-CHWSQXEVSA-N 0 0 318.439 0.686 10 0 DCAERN C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C1CCCC1 ZINC000172094873 158390281 /nfs/dbraw/zinc/39/02/81/158390281.db2.gz UOSPIINQTWPBCD-JTQLQIEISA-N 0 0 303.366 0.825 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)[C@H]2Oc3ccccc3[C@@H]2C)CCO1 ZINC000172129908 158390949 /nfs/dbraw/zinc/39/09/49/158390949.db2.gz BABCJYSRBLRFOT-GHJWDPDVSA-N 0 0 318.373 0.915 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172166689 158390968 /nfs/dbraw/zinc/39/09/68/158390968.db2.gz NALTWXQHIBUCCM-NNQSOWQGSA-N 0 0 309.410 0.801 10 0 DCAERN O=C(NCCc1csc(N2CCCC2)n1)[C@H]1COCCO1 ZINC000172232066 158392397 /nfs/dbraw/zinc/39/23/97/158392397.db2.gz ZSADDVAVYQYQIX-GFCCVEGCSA-N 0 0 311.407 0.817 10 0 DCAERN COc1cc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccn1 ZINC000172534449 158394946 /nfs/dbraw/zinc/39/49/46/158394946.db2.gz PFACMQJOACWEFS-RYUDHWBXSA-N 0 0 306.366 0.934 10 0 DCAERN COc1ncccc1CNC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000172539105 158395964 /nfs/dbraw/zinc/39/59/64/158395964.db2.gz FINAYIDELUEMRT-CMPLNLGQSA-N 0 0 306.366 0.934 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)CC2 ZINC000172579786 158396454 /nfs/dbraw/zinc/39/64/54/158396454.db2.gz YGRXPFDCWFJLMP-QJPTWQEYSA-N 0 0 320.397 0.245 10 0 DCAERN CCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000172692423 158398168 /nfs/dbraw/zinc/39/81/68/158398168.db2.gz RPFJQCIBJPZGRL-NEPJUHHUSA-N 0 0 304.346 0.814 10 0 DCAERN CCOCCO[C@@H](C)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172763961 158399686 /nfs/dbraw/zinc/39/96/86/158399686.db2.gz DROZNNHNVAJSBI-UONOGXRCSA-N 0 0 300.399 0.361 10 0 DCAERN CC(C)c1cccc(S(=O)(=O)NCCNS(C)(=O)=O)c1 ZINC000173005011 158401624 /nfs/dbraw/zinc/40/16/24/158401624.db2.gz KYGIOWOIESWNTK-UHFFFAOYSA-N 0 0 320.436 0.638 10 0 DCAERN C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCCc1cnn(C)c1 ZINC000173101142 158403047 /nfs/dbraw/zinc/40/30/47/158403047.db2.gz PYIWBMRUNPQPEL-NEPJUHHUSA-N 0 0 316.427 0.296 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)n(C)c1 ZINC000173532459 158407866 /nfs/dbraw/zinc/40/78/66/158407866.db2.gz TXTWJVPMENDPJM-ZDUSSCGKSA-N 0 0 317.349 0.868 10 0 DCAERN Cc1cc(C(=O)N2CCN(C(=O)CC(=O)N(C)C)CC2)c(C)o1 ZINC000174267517 158416121 /nfs/dbraw/zinc/41/61/21/158416121.db2.gz MTDJAVYOIRKVSR-UHFFFAOYSA-N 0 0 321.377 0.659 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000175488597 158427560 /nfs/dbraw/zinc/42/75/60/158427560.db2.gz HDISPABAWVMQPO-RYUDHWBXSA-N 0 0 318.439 0.662 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2nc(C)cs2)C1 ZINC000175891524 158431622 /nfs/dbraw/zinc/43/16/22/158431622.db2.gz AOCDBEMSYXLUFG-JTQLQIEISA-N 0 0 310.379 0.517 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N[C@H](C)[C@@H](C)CO)CC2)n1 ZINC000179430897 158471873 /nfs/dbraw/zinc/47/18/73/158471873.db2.gz WBMCGLWFZKKREM-NWDGAFQWSA-N 0 0 322.409 0.835 10 0 DCAERN COCCCOC1CN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000179677659 158475501 /nfs/dbraw/zinc/47/55/01/158475501.db2.gz RMXYDSPWKHKARO-NSHDSACASA-N 0 0 309.370 0.040 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cnn3c2CCCC3)O1 ZINC000180662959 158480528 /nfs/dbraw/zinc/48/05/28/158480528.db2.gz PFVRJLLHGBYQEC-RISCZKNCSA-N 0 0 320.393 0.585 10 0 DCAERN O=C(CN1CCCC1=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000183117467 158496141 /nfs/dbraw/zinc/49/61/41/158496141.db2.gz BBQORGTVUKGZAI-ZDUSSCGKSA-N 0 0 316.361 0.316 10 0 DCAERN Cc1nc(C)c(C(=O)NC[C@H]2CN(C3CC3)CCO2)nc1C ZINC000184000055 158504178 /nfs/dbraw/zinc/50/41/78/158504178.db2.gz OVLINYIWQILRDZ-AWEZNQCLSA-N 0 0 304.394 0.995 10 0 DCAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)CCc2cccn2C)C1 ZINC000185538376 158521246 /nfs/dbraw/zinc/52/12/46/158521246.db2.gz XMQBGENXONVDGD-LBPRGKRZSA-N 0 0 322.409 0.503 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000186223339 158528576 /nfs/dbraw/zinc/52/85/76/158528576.db2.gz HNJGAOZJXKFZTF-UHFFFAOYSA-N 0 0 319.409 0.852 10 0 DCAERN C[C@@H](CO)N(C)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000188341354 158544488 /nfs/dbraw/zinc/54/44/88/158544488.db2.gz ADKNGWSHDHDMMS-FZMZJTMJSA-N 0 0 323.368 0.949 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCCNC(=O)[C@H]2C)C1 ZINC000188937411 158548667 /nfs/dbraw/zinc/54/86/67/158548667.db2.gz HSHVPPPWRBXNOT-OLZOCXBDSA-N 0 0 309.410 0.762 10 0 DCAERN CCOCCNC(=O)CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189329173 158551886 /nfs/dbraw/zinc/55/18/86/158551886.db2.gz DYJMBHWPMVAVEP-NWDGAFQWSA-N 0 0 312.370 0.293 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000189506137 158553232 /nfs/dbraw/zinc/55/32/32/158553232.db2.gz OURAGGYMQAKZRC-NWDGAFQWSA-N 0 0 308.378 0.703 10 0 DCAERN COC(=O)CCCNC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189586936 158553858 /nfs/dbraw/zinc/55/38/58/158553858.db2.gz DNPYMPNSUVLQKN-UHFFFAOYSA-N 0 0 309.370 0.503 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc2c(cn1)nc[nH]c2=O ZINC000189556641 158553981 /nfs/dbraw/zinc/55/39/81/158553981.db2.gz QZLKUZSPIXFVPQ-SECBINFHSA-N 0 0 310.317 0.329 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)n[nH]1 ZINC000189794597 158555525 /nfs/dbraw/zinc/55/55/25/158555525.db2.gz BTPDUXZCNXPLQL-UHFFFAOYSA-N 0 0 319.390 0.841 10 0 DCAERN Cc1cc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2C)cnc1Cl ZINC000190682826 158562422 /nfs/dbraw/zinc/56/24/22/158562422.db2.gz YPZRTIZMNJVPQQ-SECBINFHSA-N 0 0 324.768 0.719 10 0 DCAERN COCCN1CCCN(S(=O)(=O)c2cccs2)CC1=O ZINC000191401985 158567429 /nfs/dbraw/zinc/56/74/29/158567429.db2.gz NPCSGLXGNRGWIS-UHFFFAOYSA-N 0 0 318.420 0.618 10 0 DCAERN CO[C@H](C)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000191642113 158569554 /nfs/dbraw/zinc/56/95/54/158569554.db2.gz YJRSTHBWCRVQGZ-SECBINFHSA-N 0 0 304.306 0.826 10 0 DCAERN COc1ccccc1C(=O)NCC(=O)N1CCC(=O)[C@@H](C)C1 ZINC000193131578 158580869 /nfs/dbraw/zinc/58/08/69/158580869.db2.gz PGNFILMLOHFYSF-NSHDSACASA-N 0 0 304.346 0.863 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cn1 ZINC000246081133 158657155 /nfs/dbraw/zinc/65/71/55/158657155.db2.gz ZVAHPRQLISSQRP-NWDGAFQWSA-N 0 0 305.382 0.031 10 0 DCAERN C[C@H](c1ccc(F)cc1F)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000246749871 158670221 /nfs/dbraw/zinc/67/02/21/158670221.db2.gz XIDQQMKFNNDEIS-KOLCDFICSA-N 0 0 309.316 0.668 10 0 DCAERN C[C@H](OC[C@H]1CCCO1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000247190931 158678191 /nfs/dbraw/zinc/67/81/91/158678191.db2.gz SSUVADASCRUXEZ-SOUVJXGZSA-N 0 0 312.410 0.504 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000277073893 158956162 /nfs/dbraw/zinc/95/61/62/158956162.db2.gz PBZQMASMYQRTBN-NOZJJQNGSA-N 0 0 319.329 0.801 10 0 DCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000319358772 159007964 /nfs/dbraw/zinc/00/79/64/159007964.db2.gz VBZVUTXFOWECRU-KWCYVHTRSA-N 0 0 310.394 0.386 10 0 DCAERN C[C@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)CCS1(=O)=O ZINC000328671455 159019389 /nfs/dbraw/zinc/01/93/89/159019389.db2.gz NJRFBYNTPGFWOW-QWRGUYRKSA-N 0 0 302.396 0.921 10 0 DCAERN C[C@H](O)C(=O)N1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328676819 159020628 /nfs/dbraw/zinc/02/06/28/159020628.db2.gz RWZXTELOHSZWBP-RYUDHWBXSA-N 0 0 311.382 0.327 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328686601 159021312 /nfs/dbraw/zinc/02/13/12/159021312.db2.gz YIGCAMFTHXUMJJ-QWRGUYRKSA-N 0 0 317.411 0.426 10 0 DCAERN C[C@H]1CN(c2nnc(-c3ccccn3)n2C)CCS1(=O)=O ZINC000328698300 159022169 /nfs/dbraw/zinc/02/21/69/159022169.db2.gz HOSICFRKTYDUJY-JTQLQIEISA-N 0 0 307.379 0.500 10 0 DCAERN C[C@@H](CC(=O)N1CCOC[C@]12CCOC2)N1CCCCC1=O ZINC000328736794 159025894 /nfs/dbraw/zinc/02/58/94/159025894.db2.gz JWWJYQRPIRGZKU-XJKSGUPXSA-N 0 0 310.394 0.795 10 0 DCAERN CCN1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1=O ZINC000328761141 159027058 /nfs/dbraw/zinc/02/70/58/159027058.db2.gz YBEANBMSAWNJCS-CYBMUJFWSA-N 0 0 309.410 0.858 10 0 DCAERN Cc1csc([C@@H]2CN(C(=O)Cn3cccnc3=O)CCO2)n1 ZINC000328761024 159027120 /nfs/dbraw/zinc/02/71/20/159027120.db2.gz XRONHHGVCKQHKX-NSHDSACASA-N 0 0 320.374 0.608 10 0 DCAERN Cc1ccn(CC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(=O)c1 ZINC000328867511 159035687 /nfs/dbraw/zinc/03/56/87/159035687.db2.gz GYTZSAYEZYXXBM-KGLIPLIRSA-N 0 0 305.378 0.088 10 0 DCAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328868450 159036116 /nfs/dbraw/zinc/03/61/16/159036116.db2.gz HGPRVGDCJWEHRE-ILXRZTDVSA-N 0 0 323.437 0.565 10 0 DCAERN CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1 ZINC000328892042 159038230 /nfs/dbraw/zinc/03/82/30/159038230.db2.gz SVQPNPOYXHNDGM-MJBXVCDLSA-N 0 0 309.410 0.176 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1 ZINC000328907143 159039704 /nfs/dbraw/zinc/03/97/04/159039704.db2.gz LHMRKWSTYJDJIB-JTNHKYCSSA-N 0 0 306.366 0.187 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)CSc3nncs3)C[C@H]21 ZINC000328915034 159041176 /nfs/dbraw/zinc/04/11/76/159041176.db2.gz QOUFYDRYHDLTGT-NXEZZACHSA-N 0 0 314.436 0.562 10 0 DCAERN COC1CCN(C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328932287 159042633 /nfs/dbraw/zinc/04/26/33/159042633.db2.gz PCHHPSOFCYAPCL-HNNXBMFYSA-N 0 0 323.397 0.336 10 0 DCAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCC[C@H](n2cccn2)C1 ZINC000328926112 159042870 /nfs/dbraw/zinc/04/28/70/159042870.db2.gz FCXFKQDSWCBLFM-RYUDHWBXSA-N 0 0 300.366 0.970 10 0 DCAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C[C@H](O)CN2CCCC2=O)n1 ZINC000328947351 159045101 /nfs/dbraw/zinc/04/51/01/159045101.db2.gz BKRXUVCVSZABQL-QKCSRTOESA-N 0 0 324.381 0.123 10 0 DCAERN O=C(c1ncncc1Cl)N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000328982013 159048783 /nfs/dbraw/zinc/04/87/83/159048783.db2.gz YJUXSMJBYYBTDZ-ZDUSSCGKSA-N 0 0 322.756 0.389 10 0 DCAERN CCc1nnc([C@@H](C)N2CCC[C@](O)(Cn3ccnn3)C2)o1 ZINC000328985439 159049837 /nfs/dbraw/zinc/04/98/37/159049837.db2.gz ZRURFMPGGXGVSE-BXUZGUMPSA-N 0 0 306.370 0.812 10 0 DCAERN Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000329069937 159058379 /nfs/dbraw/zinc/05/83/79/159058379.db2.gz NCIBEZVENMJTDL-ZDUSSCGKSA-N 0 0 322.390 0.966 10 0 DCAERN C[C@H](CC(=O)N1CCOC[C@H]1c1nc[nH]n1)N1CCCCC1=O ZINC000329099534 159062388 /nfs/dbraw/zinc/06/23/88/159062388.db2.gz ZFJCCBSJXXVGKB-NEPJUHHUSA-N 0 0 321.381 0.496 10 0 DCAERN CN(C)c1noc([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC000329339466 159083816 /nfs/dbraw/zinc/08/38/16/159083816.db2.gz NSFJFVDZEAEDRI-QWRGUYRKSA-N 0 0 321.381 0.462 10 0 DCAERN O=C(c1cnn2ccncc12)N1CCO[C@@H](COCC2CC2)C1 ZINC000329390796 159087868 /nfs/dbraw/zinc/08/78/68/159087868.db2.gz SKRBHIBHCVMAQF-CYBMUJFWSA-N 0 0 316.361 0.997 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)NCc1ccnc2ccnn21 ZINC000329601369 159105733 /nfs/dbraw/zinc/10/57/33/159105733.db2.gz FEVDIJAPQRZNKU-UHFFFAOYSA-N 0 0 309.395 0.796 10 0 DCAERN CN([C@H]1CCOC1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000329602709 159106518 /nfs/dbraw/zinc/10/65/18/159106518.db2.gz FYYNYWFWIKVXDT-NSHDSACASA-N 0 0 323.378 0.287 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCOC(C)(C)[C@H]2C)nn1 ZINC000329655626 159110070 /nfs/dbraw/zinc/11/00/70/159110070.db2.gz MHUPAWAUKLCFAL-RAIGVLPGSA-N 0 0 324.381 0.504 10 0 DCAERN c1[nH]nc2c1C[C@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000329739022 159116549 /nfs/dbraw/zinc/11/65/49/159116549.db2.gz UQZAFZNYNWWUDH-MFKMUULPSA-N 0 0 300.366 0.738 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC2)CC1(C)C ZINC000329770009 159118833 /nfs/dbraw/zinc/11/88/33/159118833.db2.gz IIZWHDNTLSGLOW-AWEZNQCLSA-N 0 0 321.421 0.857 10 0 DCAERN Cc1cc(CN2CCN(C(=O)Cc3cncnc3)CC2)no1 ZINC000329785436 159119778 /nfs/dbraw/zinc/11/97/78/159119778.db2.gz PXOOCLNHYWIWNM-UHFFFAOYSA-N 0 0 301.350 0.660 10 0 DCAERN C[C@H](C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)N1CCOCC1 ZINC000329935326 159130301 /nfs/dbraw/zinc/13/03/01/159130301.db2.gz QYDALIJMNCTILA-CZUORRHYSA-N 0 0 322.409 0.215 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000330089703 159141089 /nfs/dbraw/zinc/14/10/89/159141089.db2.gz WBKOZWHRFFWQQM-NMFUWQPSSA-N 0 0 320.393 0.039 10 0 DCAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCN2CCOC[C@@H]2C1 ZINC000330107602 159142216 /nfs/dbraw/zinc/14/22/16/159142216.db2.gz MJVHGZCDLXJIQI-HRCADAONSA-N 0 0 317.389 0.702 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCO[C@@H](C2CC2)C1 ZINC000330144037 159145988 /nfs/dbraw/zinc/14/59/88/159145988.db2.gz RLZPWKOENAOECR-MGPQQGTHSA-N 0 0 320.389 0.799 10 0 DCAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000330158808 159146208 /nfs/dbraw/zinc/14/62/08/159146208.db2.gz QGKFHURKMRCSKS-NSHDSACASA-N 0 0 300.366 0.887 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCCC[C@H]2[C@@H](C)O)nn1 ZINC000330177294 159148021 /nfs/dbraw/zinc/14/80/21/159148021.db2.gz KQIRZDIHGSFTRK-YXCITZCRSA-N 0 0 324.381 0.240 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NC1CCOCC1 ZINC000330198051 159149865 /nfs/dbraw/zinc/14/98/65/159149865.db2.gz SQXJEGHZSARSSH-CQSZACIVSA-N 0 0 318.439 0.876 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330283335 159156593 /nfs/dbraw/zinc/15/65/93/159156593.db2.gz BGSZYDWANBREGX-UPBCOZELSA-N 0 0 317.349 0.227 10 0 DCAERN O=C(NCC[C@@H](O)C(F)(F)F)[C@H]1CCCCS1(=O)=O ZINC000330382396 159167115 /nfs/dbraw/zinc/16/71/15/159167115.db2.gz IZYAHZFLIWVYRG-HTQZYQBOSA-N 0 0 303.302 0.383 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(C(=O)COc2cccc(F)c2)C1 ZINC000330463198 159177446 /nfs/dbraw/zinc/17/74/46/159177446.db2.gz NHDLIIQIJIIHRE-NSHDSACASA-N 0 0 302.327 0.094 10 0 DCAERN CN1CC[C@@H](NC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1=O ZINC000332889855 159216162 /nfs/dbraw/zinc/21/61/62/159216162.db2.gz DBWJHQBDYAOSQQ-GHMZBOCLSA-N 0 0 311.407 0.035 10 0 DCAERN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](n2cncn2)C1 ZINC000332915820 159217197 /nfs/dbraw/zinc/21/71/97/159217197.db2.gz TVONQLPLIOZEPA-QWHCGFSZSA-N 0 0 315.381 0.905 10 0 DCAERN CCn1nccc1N1CCC[C@@H](NC(=O)C[C@@H]2CCOC2)C1=O ZINC000332956097 159218038 /nfs/dbraw/zinc/21/80/38/159218038.db2.gz JTSMIHQZGAXEDX-QWHCGFSZSA-N 0 0 320.393 0.941 10 0 DCAERN CO[C@]1(CNC(=O)NCC(=O)NC2CCCCC2)CCOC1 ZINC000359291255 159262963 /nfs/dbraw/zinc/26/29/63/159262963.db2.gz DISFCNBJMIIVPO-HNNXBMFYSA-N 0 0 313.398 0.540 10 0 DCAERN COc1ccc(CN(C)C(=O)[C@H](C)N2CC(=O)N(C)C2)cc1F ZINC000360477445 159270535 /nfs/dbraw/zinc/27/05/35/159270535.db2.gz XYSKHTXLBYDBKP-NSHDSACASA-N 0 0 323.368 0.913 10 0 DCAERN COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000367224657 159323303 /nfs/dbraw/zinc/32/33/03/159323303.db2.gz NUXGYHWAYONJDV-QJPTWQEYSA-N 0 0 323.393 0.829 10 0 DCAERN CNC(=O)[C@H](NC(=O)CN1CCOCC[C@@H]1C)c1ccccc1 ZINC000367668851 159350370 /nfs/dbraw/zinc/35/03/70/159350370.db2.gz YMILCKCXAYFTDJ-XJKSGUPXSA-N 0 0 319.405 0.701 10 0 DCAERN COc1ccc(CNC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000368301578 159386024 /nfs/dbraw/zinc/38/60/24/159386024.db2.gz KJOHLCUKRROMLP-CQSZACIVSA-N 0 0 305.378 0.921 10 0 DCAERN CCCN(C)S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000370703063 159536199 /nfs/dbraw/zinc/53/61/99/159536199.db2.gz RKOGTMLWFSIYCN-ZDUSSCGKSA-N 0 0 306.428 0.843 10 0 DCAERN Cc1ccc(O[C@H]2CCN(C(=O)CN3CCOCC3)C2)cn1 ZINC000373075637 159659859 /nfs/dbraw/zinc/65/98/59/159659859.db2.gz XQVGTEYQNPNJJG-HNNXBMFYSA-N 0 0 305.378 0.702 10 0 DCAERN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2CC[C@H](CO)CC2)CC1=O ZINC000374576149 159741072 /nfs/dbraw/zinc/74/10/72/159741072.db2.gz OTXXNINLFCYECE-DHGKCCLASA-N 0 0 309.410 0.846 10 0 DCAERN CN(CCNC(=O)N1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000375243849 159779735 /nfs/dbraw/zinc/77/97/35/159779735.db2.gz BIGFMMRVAZRUFA-MRXNPFEDSA-N 0 0 318.421 0.849 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC)CC2 ZINC000375767572 159816627 /nfs/dbraw/zinc/81/66/27/159816627.db2.gz GGKAIXIGLTXVMX-OUAUKWLOSA-N 0 0 306.366 0.471 10 0 DCAERN C[C@H](O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000375956448 159829516 /nfs/dbraw/zinc/82/95/16/159829516.db2.gz XABJRVHSBQPUHG-WVWOOGAGSA-N 0 0 309.410 0.798 10 0 DCAERN O=C(Cn1cnc(-c2ccccc2)n1)N1CC(n2ccnn2)C1 ZINC000378533231 159988497 /nfs/dbraw/zinc/98/84/97/159988497.db2.gz AAJKUGYTRUHBDR-UHFFFAOYSA-N 0 0 309.333 0.620 10 0 DCAERN Cn1c2cccc(C(=O)N3CCN(C4CC4)C(=O)C3)c2oc1=O ZINC000407956647 159996289 /nfs/dbraw/zinc/99/62/89/159996289.db2.gz KVCZSARVINYPIN-UHFFFAOYSA-N 0 0 315.329 0.578 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCN(C3CC3)C(=O)C2)C1 ZINC000407956290 159996410 /nfs/dbraw/zinc/99/64/10/159996410.db2.gz JYGBZHQFPNKMFG-LBPRGKRZSA-N 0 0 307.394 0.468 10 0 DCAERN O=C(N[C@H]1CCCn2ncnc21)N1CCN(C2CC2)C(=O)C1 ZINC000407971535 159999954 /nfs/dbraw/zinc/99/99/54/159999954.db2.gz IVOSLOKENSVLIX-NSHDSACASA-N 0 0 304.354 0.129 10 0 DCAERN C[C@H]1CN(C(=O)c2cncc(N3CCOCC3)c2)CC(=O)N1C ZINC000407971973 160000095 /nfs/dbraw/zinc/00/00/95/160000095.db2.gz RNBUZEIJZXXBOQ-LBPRGKRZSA-N 0 0 318.377 0.221 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C[C@H]1CCCCO1 ZINC000407975167 160000908 /nfs/dbraw/zinc/00/09/08/160000908.db2.gz WFAGPXNCNGMFCQ-GRYCIOLGSA-N 0 0 304.412 0.471 10 0 DCAERN C[C@@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000407977791 160000970 /nfs/dbraw/zinc/00/09/70/160000970.db2.gz YUWLRSQIEZONRX-YNEHKIRRSA-N 0 0 320.455 0.823 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCOC[C@H]1C ZINC000407978702 160001490 /nfs/dbraw/zinc/00/14/90/160001490.db2.gz DRLUKENFKZHRFM-MRVPVSSYSA-N 0 0 304.393 0.565 10 0 DCAERN C[C@H]1CN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCS1 ZINC000407978387 160001821 /nfs/dbraw/zinc/00/18/21/160001821.db2.gz XVINKAVWHAEDSU-QWRGUYRKSA-N 0 0 321.468 0.415 10 0 DCAERN CC1(C)C[C@@H](NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCO1 ZINC000407983797 160002882 /nfs/dbraw/zinc/00/28/82/160002882.db2.gz SPYDSYMFSAHEQS-WDEREUQCSA-N 0 0 319.427 0.277 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000407996371 160006225 /nfs/dbraw/zinc/00/62/25/160006225.db2.gz RCIZYJKWICOSNP-LLVKDONJSA-N 0 0 319.427 0.038 10 0 DCAERN CCc1oc(C(=O)N2CCN(S(=O)(=O)NC)CC2)cc1C ZINC000407999335 160006742 /nfs/dbraw/zinc/00/67/42/160006742.db2.gz UCEFSBYDZBMBTI-UHFFFAOYSA-N 0 0 315.395 0.372 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)C1 ZINC000408002613 160007798 /nfs/dbraw/zinc/00/77/98/160007798.db2.gz GKFYMLDKHSERKF-RKDXNWHRSA-N 0 0 304.334 0.866 10 0 DCAERN C[C@H](CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)[S@@](C)=O ZINC000408023921 160015126 /nfs/dbraw/zinc/01/51/26/160015126.db2.gz WMGVBRUFXHSFFS-AYMFLGRJSA-N 0 0 317.455 0.258 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408027887 160015429 /nfs/dbraw/zinc/01/54/29/160015429.db2.gz PMVQZHTXDROXDL-CRWXNKLISA-N 0 0 320.455 0.945 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H]1C(N)=O ZINC000408028923 160015999 /nfs/dbraw/zinc/01/59/99/160015999.db2.gz AGEICDWYJUNDNC-BXUZGUMPSA-N 0 0 323.418 0.343 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)C[C@@H]1CCCCO1 ZINC000408029697 160016039 /nfs/dbraw/zinc/01/60/39/160016039.db2.gz XZVPIWQPOJFQTE-RWMBFGLXSA-N 0 0 307.412 0.621 10 0 DCAERN Cc1n[nH]c(C)c1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408036288 160018357 /nfs/dbraw/zinc/01/83/57/160018357.db2.gz RXXONLCSCGPMNG-OCCSQVGLSA-N 0 0 310.373 0.798 10 0 DCAERN CN(C)S(=O)(=O)CCCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000408041861 160020870 /nfs/dbraw/zinc/02/08/70/160020870.db2.gz IUVUQXPSXSMWLV-MCIONIFRSA-N 0 0 320.455 0.130 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N2CCO[C@@H]3CCC[C@H]32)cn1 ZINC000408045924 160022117 /nfs/dbraw/zinc/02/21/17/160022117.db2.gz UMMKBQMJSCOMFK-VXGBXAGGSA-N 0 0 307.354 0.414 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@H]2c2cccs2)C1 ZINC000408049515 160022543 /nfs/dbraw/zinc/02/25/43/160022543.db2.gz ASQGDZBADIZDTO-WCQYABFASA-N 0 0 321.402 0.616 10 0 DCAERN CO[C@H]1C[C@@H](C(=O)N2CCC(C)(C)S(=O)(=O)CC2)N(C)C1 ZINC000408048094 160022560 /nfs/dbraw/zinc/02/25/60/160022560.db2.gz KZHLQNBYHFVCQX-RYUDHWBXSA-N 0 0 318.439 0.131 10 0 DCAERN Cc1nn(C)cc1C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051230 160023477 /nfs/dbraw/zinc/02/34/77/160023477.db2.gz HBGVXFXTEHIBRT-YPMHNXCESA-N 0 0 324.356 0.140 10 0 DCAERN CN(C)c1cc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)ccn1 ZINC000408051269 160023622 /nfs/dbraw/zinc/02/36/22/160023622.db2.gz IZOQIFPAPMCFSV-NEPJUHHUSA-N 0 0 303.366 0.386 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@](C)(O)C1 ZINC000408052433 160024484 /nfs/dbraw/zinc/02/44/84/160024484.db2.gz OSVNDDZBIHMDGC-XHDPSFHLSA-N 0 0 323.397 0.816 10 0 DCAERN Cc1ccn2cc(C(=O)N3CCC[C@](O)(C(N)=O)C3)nc2c1 ZINC000408057336 160025204 /nfs/dbraw/zinc/02/52/04/160025204.db2.gz SVNKCSRHBHGSJW-OAHLLOKOSA-N 0 0 302.334 0.095 10 0 DCAERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000408062941 160026456 /nfs/dbraw/zinc/02/64/56/160026456.db2.gz OFMXTOPSGZYEKQ-DYLAAIIWSA-N 0 0 308.382 0.242 10 0 DCAERN CN(C)C(=O)c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)[nH]1 ZINC000408072058 160029202 /nfs/dbraw/zinc/02/92/02/160029202.db2.gz FQJNFOKFCYBUQJ-UHFFFAOYSA-N 0 0 313.423 0.726 10 0 DCAERN CC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408075376 160030430 /nfs/dbraw/zinc/03/04/30/160030430.db2.gz XZRAFLUQQPJJJT-OLZOCXBDSA-N 0 0 305.382 0.912 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC(F)F)CC1 ZINC000408078215 160031193 /nfs/dbraw/zinc/03/11/93/160031193.db2.gz BCVUYBHIPYIRLB-NSHDSACASA-N 0 0 303.353 0.701 10 0 DCAERN C[C@H]1C[C@@H](O)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000408080307 160031902 /nfs/dbraw/zinc/03/19/02/160031902.db2.gz NCFACEOYCGFAHC-RYUDHWBXSA-N 0 0 323.393 0.613 10 0 DCAERN O=C(CN1CCn2cnnc2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408093159 160034140 /nfs/dbraw/zinc/03/41/40/160034140.db2.gz UXTDMKRNQSNOTG-CHWSQXEVSA-N 0 0 305.382 0.264 10 0 DCAERN C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)C[C@@H]1O ZINC000408096215 160034869 /nfs/dbraw/zinc/03/48/69/160034869.db2.gz XMGHOOKBJXURQE-UYHMYPTGSA-N 0 0 317.389 0.830 10 0 DCAERN CS[C@H](CO)[C@H](C)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408099977 160035949 /nfs/dbraw/zinc/03/59/49/160035949.db2.gz OOCGEJOYVIQNLP-VPOLOUISSA-N 0 0 312.457 0.042 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000408099969 160036013 /nfs/dbraw/zinc/03/60/13/160036013.db2.gz ZRRCKYRVSSQGEF-QWRGUYRKSA-N 0 0 302.396 0.664 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000408111767 160038063 /nfs/dbraw/zinc/03/80/63/160038063.db2.gz FAMHWIRHKUTDOL-GFCCVEGCSA-N 0 0 300.362 0.559 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000408113276 160038790 /nfs/dbraw/zinc/03/87/90/160038790.db2.gz REMMJKLWXMYGQL-SNVBAGLBSA-N 0 0 315.395 0.306 10 0 DCAERN C[C@H]1CN(C)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000408112432 160038813 /nfs/dbraw/zinc/03/88/13/160038813.db2.gz KWZOOOSYZOJTNX-LBPRGKRZSA-N 0 0 300.362 0.559 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCN(C)C[C@H]2C)CC1 ZINC000408112393 160038818 /nfs/dbraw/zinc/03/88/18/160038818.db2.gz KONQKRONLSYWFS-GFCCVEGCSA-N 0 0 317.455 0.211 10 0 DCAERN CCc1onc(C)c1C(=O)NC1CCC2(CC1)NC(=O)NC2=O ZINC000408113262 160038828 /nfs/dbraw/zinc/03/88/28/160038828.db2.gz UNESHTOSYIPLCN-UHFFFAOYSA-N 0 0 320.349 0.796 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000408116742 160039490 /nfs/dbraw/zinc/03/94/90/160039490.db2.gz SLLWBCKWNWKLBD-GFCCVEGCSA-N 0 0 304.412 0.153 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(c2nncn2C2CC2)CC1 ZINC000408126557 160042842 /nfs/dbraw/zinc/04/28/42/160042842.db2.gz QBVWYOFXXZEDEA-LLVKDONJSA-N 0 0 303.366 0.455 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@@H]1C ZINC000408134249 160044265 /nfs/dbraw/zinc/04/42/65/160044265.db2.gz RNVGGFRTBAJPGW-OLZOCXBDSA-N 0 0 305.444 0.226 10 0 DCAERN CN1CC[C@H](C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1=O ZINC000408131624 160044437 /nfs/dbraw/zinc/04/44/37/160044437.db2.gz ZPFLPIZBCSHBFF-UONOGXRCSA-N 0 0 321.421 0.716 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)N2CC(=O)N(C)C2)C1=O ZINC000408135125 160045059 /nfs/dbraw/zinc/04/50/59/160045059.db2.gz WKBDBXYCUDNKNV-JTQLQIEISA-N 0 0 303.318 0.059 10 0 DCAERN CC(C)N(C)C(=O)C1CCN(C(=O)C2(C(=O)N(C)C)CC2)CC1 ZINC000408140360 160046040 /nfs/dbraw/zinc/04/60/40/160046040.db2.gz RNYBMMSLVRVNEP-UHFFFAOYSA-N 0 0 323.437 0.960 10 0 DCAERN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)NCC1CCC1 ZINC000408141741 160046749 /nfs/dbraw/zinc/04/67/49/160046749.db2.gz XWMPWMXDTUQDLA-RYUDHWBXSA-N 0 0 303.428 0.946 10 0 DCAERN CCC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCOCC1 ZINC000408144937 160047494 /nfs/dbraw/zinc/04/74/94/160047494.db2.gz DUVKUTPJKNVBJO-LLVKDONJSA-N 0 0 304.412 0.343 10 0 DCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(C)COC2)C1 ZINC000408144627 160047741 /nfs/dbraw/zinc/04/77/41/160047741.db2.gz MMUWTZTUOZYLSZ-NSHDSACASA-N 0 0 304.412 0.201 10 0 DCAERN CCCN(CC1CC1)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000408145719 160047788 /nfs/dbraw/zinc/04/77/88/160047788.db2.gz UMYXWXBXPQCLHZ-LBPRGKRZSA-N 0 0 324.468 0.472 10 0 DCAERN CC(C)(C)[C@H]1CCN(C(=O)NCCN2CCOCC2)C[C@@H]1O ZINC000408148649 160048237 /nfs/dbraw/zinc/04/82/37/160048237.db2.gz HOXHUAODDPFVFC-KBPBESRZSA-N 0 0 313.442 0.757 10 0 DCAERN O=C(C1=CCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000408158004 160049773 /nfs/dbraw/zinc/04/97/73/160049773.db2.gz MHGWWDPHCACMPB-ZDUSSCGKSA-N 0 0 314.407 0.360 10 0 DCAERN C[C@@H]1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC(=O)N1 ZINC000408161796 160050307 /nfs/dbraw/zinc/05/03/07/160050307.db2.gz PVJINGNSZYIYFH-NEPJUHHUSA-N 0 0 303.366 0.040 10 0 DCAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC(=O)N1 ZINC000408161675 160050663 /nfs/dbraw/zinc/05/06/63/160050663.db2.gz OUUOBFZNCFDIKN-VHSXEESVSA-N 0 0 316.361 0.730 10 0 DCAERN CSC1(CNC(=O)[C@H]2CC(=O)N[C@@H](C)C2)CCOCC1 ZINC000408166024 160051107 /nfs/dbraw/zinc/05/11/07/160051107.db2.gz OZEHREXSEDWRGV-WDEREUQCSA-N 0 0 300.424 0.930 10 0 DCAERN Cn1nc(CC(=O)N2CCC[C@@H](O)CC2)c2ccccc2c1=O ZINC000408178874 160053478 /nfs/dbraw/zinc/05/34/78/160053478.db2.gz UTULSMLIRGWVCA-GFCCVEGCSA-N 0 0 315.373 0.849 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)co1 ZINC000408185938 160054885 /nfs/dbraw/zinc/05/48/85/160054885.db2.gz FQZMTRWNXLGGGA-INTQDDNPSA-N 0 0 314.363 0.031 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000408188739 160056181 /nfs/dbraw/zinc/05/61/81/160056181.db2.gz UOHZRDMMCDNKRC-UHTWSYAYSA-N 0 0 324.402 0.485 10 0 DCAERN C[C@H](O)C1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000408190439 160056307 /nfs/dbraw/zinc/05/63/07/160056307.db2.gz YTVOIXVVJPLDIR-UBHSHLNASA-N 0 0 322.405 0.781 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000408187918 160056355 /nfs/dbraw/zinc/05/63/55/160056355.db2.gz QRLGKCVMXWORQP-UHFFFAOYSA-N 0 0 321.402 0.944 10 0 DCAERN O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408189271 160056368 /nfs/dbraw/zinc/05/63/68/160056368.db2.gz WFNYCDROWIXVMD-DDHJSBNISA-N 0 0 318.373 0.857 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nc(C)n1 ZINC000408196396 160057605 /nfs/dbraw/zinc/05/76/05/160057605.db2.gz BYQKNOBMFBTBAQ-LLVKDONJSA-N 0 0 312.395 0.247 10 0 DCAERN Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](C)C3)CC2)c1 ZINC000408200519 160058300 /nfs/dbraw/zinc/05/83/00/160058300.db2.gz CQYLHZOYXJMTID-KGLIPLIRSA-N 0 0 316.405 0.953 10 0 DCAERN C[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)N1CCOCC1 ZINC000408203509 160059468 /nfs/dbraw/zinc/05/94/68/160059468.db2.gz LKYJGHXYNHMCKM-KGLIPLIRSA-N 0 0 307.398 0.237 10 0 DCAERN C[C@@H]1CN(CCCNS(=O)(=O)NC2CCCC2)C[C@H](C)O1 ZINC000408209177 160060708 /nfs/dbraw/zinc/06/07/08/160060708.db2.gz YZNDETKDGVMZGP-BETUJISGSA-N 0 0 319.471 0.852 10 0 DCAERN CC(C)(C)[C@@H]1CCN(C(=O)CN2CSCC2=O)C[C@@H]1O ZINC000408212015 160061432 /nfs/dbraw/zinc/06/14/32/160061432.db2.gz SWVZTMDPOUKAFK-MNOVXSKESA-N 0 0 300.424 0.775 10 0 DCAERN CN(C)c1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nc1 ZINC000408223831 160063138 /nfs/dbraw/zinc/06/31/38/160063138.db2.gz LZMSJOALGXKJSF-UHFFFAOYSA-N 0 0 311.407 0.797 10 0 DCAERN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CS(=O)(=O)N(C)C)C1 ZINC000408220917 160063193 /nfs/dbraw/zinc/06/31/93/160063193.db2.gz ATTIMODVTGLIMR-RISCZKNCSA-N 0 0 320.455 0.571 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1N1CCOCC1 ZINC000408232111 160064688 /nfs/dbraw/zinc/06/46/88/160064688.db2.gz LXYZCDKELYYWDS-DZGCQCFKSA-N 0 0 319.405 0.568 10 0 DCAERN CC[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1N1CCOCC1 ZINC000408232119 160064876 /nfs/dbraw/zinc/06/48/76/160064876.db2.gz LXYZCDKELYYWDS-ZFWWWQNUSA-N 0 0 319.405 0.568 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCOCC(F)(F)F)[C@H](C)CO1 ZINC000408237063 160065918 /nfs/dbraw/zinc/06/59/18/160065918.db2.gz OYTLZQZZAZUGOT-RKDXNWHRSA-N 0 0 320.333 0.509 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000408237739 160066865 /nfs/dbraw/zinc/06/68/65/160066865.db2.gz RVSFBQRQULTNNX-AXFHLTTASA-N 0 0 302.400 0.425 10 0 DCAERN CCN(CC1CC1)S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000408240735 160066973 /nfs/dbraw/zinc/06/69/73/160066973.db2.gz FLCYNPZDWMKEGP-UHFFFAOYSA-N 0 0 317.455 0.763 10 0 DCAERN CN(C)c1ncccc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245971 160068292 /nfs/dbraw/zinc/06/82/92/160068292.db2.gz IBSWCILFEZFENU-MRXNPFEDSA-N 0 0 302.378 0.890 10 0 DCAERN CCN(C)C(=O)[C@@H](C)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408245261 160068460 /nfs/dbraw/zinc/06/84/60/160068460.db2.gz TUYMMHPQWMCDCM-SNVBAGLBSA-N 0 0 319.427 0.072 10 0 DCAERN CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000408247964 160069000 /nfs/dbraw/zinc/06/90/00/160069000.db2.gz QVXFDFJRUZWSFB-RQJABVFESA-N 0 0 321.421 0.761 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CN2CCCCCC2=O)CC1=O ZINC000408249128 160069046 /nfs/dbraw/zinc/06/90/46/160069046.db2.gz YVLRCGGENJZVFA-AGIUHOORSA-N 0 0 307.394 0.515 10 0 DCAERN CC(C)N(C(=O)c1cnc2n(c1=O)CCS2)[C@@H]1CCOC1 ZINC000408247046 160069341 /nfs/dbraw/zinc/06/93/41/160069341.db2.gz MIKFYSNFLOBJAF-SNVBAGLBSA-N 0 0 309.391 0.989 10 0 DCAERN CS(=O)(=O)C1CCC(NC(=O)NCC2(O)CCC2)CC1 ZINC000408253182 160070095 /nfs/dbraw/zinc/07/00/95/160070095.db2.gz FHMUPKIRDGCSJD-UHFFFAOYSA-N 0 0 304.412 0.556 10 0 DCAERN CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000408256927 160070671 /nfs/dbraw/zinc/07/06/71/160070671.db2.gz NKOWYHMFMICUQT-GMXVVIOVSA-N 0 0 303.428 0.454 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)NC[C@@]2(C)CCCS2)CCO1 ZINC000408266380 160072533 /nfs/dbraw/zinc/07/25/33/160072533.db2.gz ZHWADPUMDWIJHH-GXFFZTMASA-N 0 0 302.396 0.856 10 0 DCAERN C[C@H](O)C[C@@H]1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000408266629 160072711 /nfs/dbraw/zinc/07/27/11/160072711.db2.gz QYKQRASTXIJSHU-QWRGUYRKSA-N 0 0 311.382 0.469 10 0 DCAERN NC(=O)CC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408267415 160072801 /nfs/dbraw/zinc/07/28/01/160072801.db2.gz AOTFCCXLPSUPNW-UHFFFAOYSA-N 0 0 310.398 0.485 10 0 DCAERN COC(=O)[C@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000408266381 160072809 /nfs/dbraw/zinc/07/28/09/160072809.db2.gz ZHWADPUMDWIJHH-MFKMUULPSA-N 0 0 302.396 0.856 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCN(CC(F)F)CC2)N(C(C)=O)C1 ZINC000408268662 160073027 /nfs/dbraw/zinc/07/30/27/160073027.db2.gz CDHFUWWRCJTZKL-NWDGAFQWSA-N 0 0 319.352 0.032 10 0 DCAERN NC(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1F ZINC000408272928 160073365 /nfs/dbraw/zinc/07/33/65/160073365.db2.gz LBAFYEMJUBGQEF-HNNXBMFYSA-N 0 0 323.324 0.948 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CC(=O)N(C)C2)CC[S@@]1=O ZINC000408274518 160074266 /nfs/dbraw/zinc/07/42/66/160074266.db2.gz ZXRLHAVOPUKVRD-YBTHPKLGSA-N 0 0 300.424 0.614 10 0 DCAERN CC1(O)CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 ZINC000408276939 160074325 /nfs/dbraw/zinc/07/43/25/160074325.db2.gz MPQNGEBEIHKBQB-UHFFFAOYSA-N 0 0 301.346 0.770 10 0 DCAERN Cc1cc(C)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(=O)[nH]1 ZINC000408278404 160075189 /nfs/dbraw/zinc/07/51/89/160075189.db2.gz UEIUKDIBNBOESY-JTQLQIEISA-N 0 0 313.379 0.168 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000408281658 160076036 /nfs/dbraw/zinc/07/60/36/160076036.db2.gz QBNXMJVJPLVYEW-ZIAGYGMSSA-N 0 0 311.426 0.160 10 0 DCAERN Cc1cnn(C[C@H]2CN(C(=O)C3CCC(O)CC3)CCO2)c1 ZINC000408284849 160076554 /nfs/dbraw/zinc/07/65/54/160076554.db2.gz BDNLYAQBZQWTGU-YMAMQOFZSA-N 0 0 307.394 0.970 10 0 DCAERN C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cccc(N(C)C)c1 ZINC000408287132 160077061 /nfs/dbraw/zinc/07/70/61/160077061.db2.gz PCYWFFPFBHRTBY-NSHDSACASA-N 0 0 311.407 0.652 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000408292405 160077488 /nfs/dbraw/zinc/07/74/88/160077488.db2.gz SJSDAPDJONMWCI-LLVKDONJSA-N 0 0 301.346 0.379 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000408293944 160078375 /nfs/dbraw/zinc/07/83/75/160078375.db2.gz JIAVWNQUUGOFQX-UWVGGRQHSA-N 0 0 303.318 0.084 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2COCCO2)C[C@H]1C ZINC000408300388 160079944 /nfs/dbraw/zinc/07/99/44/160079944.db2.gz YECFBFUOQOZWEJ-IJLUTSLNSA-N 0 0 300.355 0.242 10 0 DCAERN C[C@@H](O)C1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000408305908 160081538 /nfs/dbraw/zinc/08/15/38/160081538.db2.gz NZLDCJRBLKVNCM-LLVKDONJSA-N 0 0 318.439 0.756 10 0 DCAERN CCC(=O)N[C@@H]1CCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408307417 160081601 /nfs/dbraw/zinc/08/16/01/160081601.db2.gz GMKYUWUPIVXPFO-HIFRSBDPSA-N 0 0 323.437 0.757 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[S@@](=O)C2)C1 ZINC000408306537 160081741 /nfs/dbraw/zinc/08/17/41/160081741.db2.gz AFVUDAVVMKHRQY-SUTOTMHJSA-N 0 0 301.412 0.208 10 0 DCAERN COCCC(=O)N1CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000408322767 160085073 /nfs/dbraw/zinc/08/50/73/160085073.db2.gz WBBMPFZGUQBJDF-CHWSQXEVSA-N 0 0 312.410 0.897 10 0 DCAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000408330836 160086109 /nfs/dbraw/zinc/08/61/09/160086109.db2.gz KQAMNIKGHMSAQW-AVGNSLFASA-N 0 0 318.439 0.589 10 0 DCAERN CC(C)NC(=O)CN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O ZINC000408327287 160086365 /nfs/dbraw/zinc/08/63/65/160086365.db2.gz BBJDYNQYUQCVJY-OAHLLOKOSA-N 0 0 311.382 0.779 10 0 DCAERN Cc1nc(C)c(S(=O)(=O)NCC(=O)N2CCCC2)s1 ZINC000408339822 160088253 /nfs/dbraw/zinc/08/82/53/160088253.db2.gz MGJPAKPNZJKDGD-UHFFFAOYSA-N 0 0 303.409 0.661 10 0 DCAERN O=C(CCCN1C(=O)CNC1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408350008 160089342 /nfs/dbraw/zinc/08/93/42/160089342.db2.gz NHTFHQNPJGWDMI-LRDDRELGSA-N 0 0 323.393 0.472 10 0 DCAERN O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408353880 160090504 /nfs/dbraw/zinc/09/05/04/160090504.db2.gz DZEUDHMIZMQPPG-ZYHUDNBSSA-N 0 0 315.381 0.974 10 0 DCAERN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408353879 160090534 /nfs/dbraw/zinc/09/05/34/160090534.db2.gz DZEUDHMIZMQPPG-PWSUYJOCSA-N 0 0 315.381 0.974 10 0 DCAERN COC(=O)[C@@H]1CC12CCN(C(=O)[C@H]1CCN(C(C)=O)C1)CC2 ZINC000408354606 160090835 /nfs/dbraw/zinc/09/08/35/160090835.db2.gz LWHNOFHFYOSRFS-STQMWFEESA-N 0 0 308.378 0.657 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000408358169 160091555 /nfs/dbraw/zinc/09/15/55/160091555.db2.gz ZXMPKQYFAODHOZ-HZMBPMFUSA-N 0 0 311.407 0.035 10 0 DCAERN CC[C@@H]1CC[C@H](C(=O)NC2CCC(C(=O)NC(N)=O)CC2)O1 ZINC000408368535 160093738 /nfs/dbraw/zinc/09/37/38/160093738.db2.gz JSYLLBNFRKMSNS-KIDURHIOSA-N 0 0 311.382 0.814 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N3CCO[C@H](CO)C3)cnc2n1 ZINC000408371609 160093934 /nfs/dbraw/zinc/09/39/34/160093934.db2.gz ZOOHIHCHZVTYIG-JTQLQIEISA-N 0 0 303.318 0.477 10 0 DCAERN Cc1cccn2c(=O)c(C(=O)N3CC[C@@H](O)[C@@H](C)C3)cnc12 ZINC000408373416 160094370 /nfs/dbraw/zinc/09/43/70/160094370.db2.gz DNBODPXKKIIOSM-WCQYABFASA-N 0 0 301.346 0.846 10 0 DCAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2ncc(C)cc2O)n1 ZINC000408386527 160097705 /nfs/dbraw/zinc/09/77/05/160097705.db2.gz QCULJBUKADZUCT-VHSXEESVSA-N 0 0 304.306 0.735 10 0 DCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(Cl)cnn1C ZINC000408389211 160098108 /nfs/dbraw/zinc/09/81/08/160098108.db2.gz ZJIKDGXWTSHXMA-YUMQZZPRSA-N 0 0 320.802 0.348 10 0 DCAERN Cn1cc([C@H]2CN(S(=O)(=O)C[C@@H]3CCOC3)CCO2)cn1 ZINC000408391213 160098265 /nfs/dbraw/zinc/09/82/65/160098265.db2.gz BFBZFJWRVINFRE-DGCLKSJQSA-N 0 0 315.395 0.160 10 0 DCAERN C[C@@H]1CC[S@@](=O)CCN1CC(=O)N(C)c1nccs1 ZINC000408391143 160098271 /nfs/dbraw/zinc/09/82/71/160098271.db2.gz BIPDPCKVZVKMHH-GIGQVBGESA-N 0 0 301.437 0.949 10 0 DCAERN CC[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)O1 ZINC000408393792 160099259 /nfs/dbraw/zinc/09/92/59/160099259.db2.gz GYHLBZOBXIPPTA-UPJWGTAASA-N 0 0 318.439 0.873 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)O1 ZINC000408392000 160099331 /nfs/dbraw/zinc/09/93/31/160099331.db2.gz AVNIRORYPWIMHM-IJLUTSLNSA-N 0 0 306.366 0.422 10 0 DCAERN Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1=O ZINC000408401828 160101400 /nfs/dbraw/zinc/10/14/00/160101400.db2.gz FMNWRMMXJUGVIS-SECBINFHSA-N 0 0 303.322 0.229 10 0 DCAERN CC[C@H]1CN(C(=O)NCC2CN(S(=O)(=O)CC)C2)CCO1 ZINC000408411530 160102854 /nfs/dbraw/zinc/10/28/54/160102854.db2.gz IHKRBEBIFIETGZ-LBPRGKRZSA-N 0 0 319.427 0.088 10 0 DCAERN COCc1csc(NC(=O)N2CCS(=O)(=O)CC2)n1 ZINC000408418552 160104433 /nfs/dbraw/zinc/10/44/33/160104433.db2.gz ZHNXEUIQBATJRD-UHFFFAOYSA-N 0 0 305.381 0.552 10 0 DCAERN CCC1(O)CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408430196 160106930 /nfs/dbraw/zinc/10/69/30/160106930.db2.gz QJKGKLGMLAFTQB-RYUDHWBXSA-N 0 0 306.428 0.577 10 0 DCAERN O=C(CN1CCCCCC1=O)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408435152 160107859 /nfs/dbraw/zinc/10/78/59/160107859.db2.gz LIOLDXXQOZSSMD-LBPRGKRZSA-N 0 0 305.382 0.913 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N(C)CC1(O)CCOCC1 ZINC000408440461 160108375 /nfs/dbraw/zinc/10/83/75/160108375.db2.gz CARFAVFPEYIIFL-NSHDSACASA-N 0 0 316.423 0.298 10 0 DCAERN CN(C1CCN(C(=O)[C@]2(C)CCCO2)CC1)S(C)(=O)=O ZINC000408441884 160108488 /nfs/dbraw/zinc/10/84/88/160108488.db2.gz HPAQXNGKYVLADX-ZDUSSCGKSA-N 0 0 304.412 0.438 10 0 DCAERN C[C@H]1C[C@H](C(=O)N(C)CCN2CCOC(C)(C)C2)CC(=O)N1 ZINC000408449490 160110455 /nfs/dbraw/zinc/11/04/55/160110455.db2.gz GNHQFNVKJASEEK-STQMWFEESA-N 0 0 311.426 0.470 10 0 DCAERN CCc1onc(C)c1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000408450030 160111185 /nfs/dbraw/zinc/11/11/85/160111185.db2.gz HZGKZRXANYEMPQ-AWEZNQCLSA-N 0 0 306.322 0.360 10 0 DCAERN CC1(C)CN(C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1O ZINC000408450143 160111231 /nfs/dbraw/zinc/11/12/31/160111231.db2.gz GBEYPXMZZODZJC-LLVKDONJSA-N 0 0 302.338 0.897 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)ncn2C ZINC000408455116 160111822 /nfs/dbraw/zinc/11/18/22/160111822.db2.gz XFNMRZAMJXOXTQ-ZDUSSCGKSA-N 0 0 322.390 0.472 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408460156 160113478 /nfs/dbraw/zinc/11/34/78/160113478.db2.gz MAXIGUSGPDNWSH-XJFOESAGSA-N 0 0 320.455 0.271 10 0 DCAERN Cc1ccncc1S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408461479 160113632 /nfs/dbraw/zinc/11/36/32/160113632.db2.gz VLCWUZDMLFIAPK-CHWSQXEVSA-N 0 0 311.407 0.484 10 0 DCAERN C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CS2)C(=O)N1CCCCC1 ZINC000408467681 160114580 /nfs/dbraw/zinc/11/45/80/160114580.db2.gz OEUXVRBXZAIPRR-AGIUHOORSA-N 0 0 311.451 0.693 10 0 DCAERN Cn1c2cccc(F)c2nc1N1CC[C@H](NS(C)(=O)=O)C1 ZINC000408473141 160115411 /nfs/dbraw/zinc/11/54/11/160115411.db2.gz ZBKMZAYSPUUUCH-VIFPVBQESA-N 0 0 312.370 0.840 10 0 DCAERN CCCN(CCc1ccccn1)C(=O)CNC(=O)CNC(C)=O ZINC000061434478 286901926 /nfs/dbraw/zinc/90/19/26/286901926.db2.gz SMNNTDVCXAAFSQ-UHFFFAOYSA-N 0 0 320.393 0.115 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C)C1 ZINC000091414297 286935998 /nfs/dbraw/zinc/93/59/98/286935998.db2.gz QBUCOSVKZCRZLZ-UHFFFAOYSA-N 0 0 307.325 0.667 10 0 DCAERN Cc1[nH]c(=O)c(C(=O)NC(C)(C)C(N)=O)cc1Br ZINC000123387505 286960155 /nfs/dbraw/zinc/96/01/55/286960155.db2.gz YXXRCDJIQLDSSW-UHFFFAOYSA-N 0 0 316.155 0.852 10 0 DCAERN COCCc1cc(NC(=O)C(=O)N2CCCC[C@H]2C)n(C)n1 ZINC000125674604 286967699 /nfs/dbraw/zinc/96/76/99/286967699.db2.gz GZPBRCBPWISBFT-LLVKDONJSA-N 0 0 308.382 0.949 10 0 DCAERN C[C@H](O)CCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126317523 286970798 /nfs/dbraw/zinc/97/07/98/286970798.db2.gz FDSODXOYCQCYRK-RYUDHWBXSA-N 0 0 318.377 0.855 10 0 DCAERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1nccnc1N ZINC000129195662 286986994 /nfs/dbraw/zinc/98/69/94/286986994.db2.gz DDIFWGZPYMLNFN-JTQLQIEISA-N 0 0 324.344 0.587 10 0 DCAERN Cn1nccc1NC(=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000133778173 287012865 /nfs/dbraw/zinc/01/28/65/287012865.db2.gz HWJVQWLJBXKHSN-UHFFFAOYSA-N 0 0 324.344 0.861 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000134090630 287014919 /nfs/dbraw/zinc/01/49/19/287014919.db2.gz KMUXZWXRFXTGLS-GFCCVEGCSA-N 0 0 323.397 0.069 10 0 DCAERN CCNC(=O)C1CN(C(=O)C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000134750639 287018368 /nfs/dbraw/zinc/01/83/68/287018368.db2.gz QAIHCMHZCJCVSW-UHFFFAOYSA-N 0 0 320.349 0.393 10 0 DCAERN C[C@H]1OCC[C@H]1S(=O)(=O)NCCCN(C)CC(F)(F)F ZINC000135519162 287022909 /nfs/dbraw/zinc/02/29/09/287022909.db2.gz NMQAENBMMIMVOQ-NXEZZACHSA-N 0 0 318.361 0.967 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[C@@]1(C)CO ZINC000137129957 287027843 /nfs/dbraw/zinc/02/78/43/287027843.db2.gz CZMDVUQMUYJDOB-GYSYKLTISA-N 0 0 300.424 0.965 10 0 DCAERN CCC(=O)N1CC[C@@H](C(=O)N2CCN(C[C@@H](O)CC)CC2)C1 ZINC000151115012 287032086 /nfs/dbraw/zinc/03/20/86/287032086.db2.gz GIKVYXKXSRTFGZ-KGLIPLIRSA-N 0 0 311.426 0.160 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000152109652 287038595 /nfs/dbraw/zinc/03/85/95/287038595.db2.gz MOGSIUZVTVNGKC-WDEREUQCSA-N 0 0 323.397 0.651 10 0 DCAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000152129144 287038975 /nfs/dbraw/zinc/03/89/75/287038975.db2.gz RBMUSCINTDBWDH-WRWORJQWSA-N 0 0 312.272 0.654 10 0 DCAERN CC(C)(C)c1noc(CCCC(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC000152166673 287039505 /nfs/dbraw/zinc/03/95/05/287039505.db2.gz DZPVPZKRQBIEGB-VIFPVBQESA-N 0 0 322.365 0.611 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N2CCC[C@@](C)(O)C2)cc1 ZINC000152864721 287044794 /nfs/dbraw/zinc/04/47/94/287044794.db2.gz JOXBYODPVSDJIW-MRXNPFEDSA-N 0 0 306.362 0.798 10 0 DCAERN C[NH+](C)C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1 ZINC000152999680 287046063 /nfs/dbraw/zinc/04/60/63/287046063.db2.gz WBMQEFGFDLHRFK-CQSZACIVSA-N 0 0 317.393 0.735 10 0 DCAERN CC1(C)COCCN1CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000177369660 287054588 /nfs/dbraw/zinc/05/45/88/287054588.db2.gz UHRJKQAXXSKZQS-LBPRGKRZSA-N 0 0 322.413 0.523 10 0 DCAERN Cc1ccn(CC(=O)Nc2cnn(-c3ncccn3)c2)c(=O)c1 ZINC000194742182 287062088 /nfs/dbraw/zinc/06/20/88/287062088.db2.gz TUAZAIAQBGWWPB-UHFFFAOYSA-N 0 0 310.317 0.771 10 0 DCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)c2cnn(C)c2)C1 ZINC000195405250 287063092 /nfs/dbraw/zinc/06/30/92/287063092.db2.gz SVDWEOSKJAMRHX-LBPRGKRZSA-N 0 0 306.366 0.510 10 0 DCAERN CO[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C)C(C)(C)C ZINC000245484225 287069827 /nfs/dbraw/zinc/06/98/27/287069827.db2.gz GZSOQXVTYRNZRF-IJLUTSLNSA-N 0 0 308.444 0.991 10 0 DCAERN CCC[C@@H]1CN(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)CCO1 ZINC000245636797 287071528 /nfs/dbraw/zinc/07/15/28/287071528.db2.gz JSDKOHMVMAJQIS-YNEHKIRRSA-N 0 0 306.428 0.841 10 0 DCAERN CCC(CC)[C@H](O)CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000246222364 287079716 /nfs/dbraw/zinc/07/97/16/287079716.db2.gz VDDQJDUKDKADFY-NTZNESFSSA-N 0 0 308.444 0.727 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)[C@@H](C)CO1 ZINC000246178289 287078406 /nfs/dbraw/zinc/07/84/06/287078406.db2.gz MZUGMGDYRXDSSU-YNEHKIRRSA-N 0 0 318.439 0.841 10 0 DCAERN CN1C(=O)C[C@H](C(=O)N2CC[C@@](C)(O)C2)[C@@H]1c1cccnc1 ZINC000246821313 287088117 /nfs/dbraw/zinc/08/81/17/287088117.db2.gz KQCQYNUWWQVUGO-DUVNUKRYSA-N 0 0 303.362 0.584 10 0 DCAERN 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/nfs/dbraw/zinc/46/82/47/415468247.db2.gz RNMKPENTDFZPET-UHFFFAOYSA-N 0 0 314.345 0.970 10 0 DCAERN O=C(NCCNC(=O)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000079095096 415470628 /nfs/dbraw/zinc/47/06/28/415470628.db2.gz YOSZGPIILMKXGX-UHFFFAOYSA-N 0 0 300.318 0.179 10 0 DCAERN CC(C)C(=O)NC1CCN(c2nc3c(cnn3C)c(N)n2)CC1 ZINC000276354568 415474934 /nfs/dbraw/zinc/47/49/34/415474934.db2.gz YIUJAUNMLFRABA-UHFFFAOYSA-N 0 0 317.397 0.687 10 0 DCAERN CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332789008 415478538 /nfs/dbraw/zinc/47/85/38/415478538.db2.gz ZQTKBHSRPSYIRS-RWMBFGLXSA-N 0 0 320.397 0.367 10 0 DCAERN CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085792879 415506124 /nfs/dbraw/zinc/50/61/24/415506124.db2.gz VKRYCYNMHQNTMZ-QWHCGFSZSA-N 0 0 317.455 0.114 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000332967467 415517197 /nfs/dbraw/zinc/51/71/97/415517197.db2.gz GNUXDJSZTCZGGC-GRYCIOLGSA-N 0 0 316.423 0.059 10 0 DCAERN CCS(=O)(=O)N1CCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000094072026 415547906 /nfs/dbraw/zinc/54/79/06/415547906.db2.gz DSDINPBMYNYUEV-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN O=C([O-])[C@H]1C[NH2+]CCN1Cc1ccnc(Br)c1 ZINC000095073788 415549809 /nfs/dbraw/zinc/54/98/09/415549809.db2.gz IBRPISLAZRGREG-SECBINFHSA-N 0 0 300.156 0.703 10 0 DCAERN COCCN1CC[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC000333094763 415555791 /nfs/dbraw/zinc/55/57/91/415555791.db2.gz BOVNCDPMHMLYFA-XJFOESAGSA-N 0 0 302.440 0.815 10 0 DCAERN C[C@@H]1CN(CCO)CCN1S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333158581 415573248 /nfs/dbraw/zinc/57/32/48/415573248.db2.gz LNCPBEOMAVMEES-YIYPIFLZSA-N 0 0 302.440 0.503 10 0 DCAERN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1nccc(N[C@H]2CCCOC2)n1 ZINC000333297796 415604543 /nfs/dbraw/zinc/60/45/43/415604543.db2.gz LYWXOYJDLYWIBG-LQTRTAQESA-N 0 0 316.405 1.273 10 0 DCAERN Cn1cc([C@@H]2OCC[C@H]2NC(=O)N2CCn3ccnc3C2)cn1 ZINC000333323200 415610229 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/nfs/dbraw/zinc/70/80/17/415708017.db2.gz SDBQXJGQVKDQDF-UHFFFAOYSA-N 0 0 307.379 0.800 10 0 DCAERN O=C(N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000112660849 415712588 /nfs/dbraw/zinc/71/25/88/415712588.db2.gz VLHDOLWCQCMSFL-NSHDSACASA-N 0 0 300.318 0.794 10 0 DCAERN Cn1ncc2c1C[C@@H](c1nc([C@@H]3CN4CCN3CC4)no1)CC2 ZINC000289761485 415714451 /nfs/dbraw/zinc/71/44/51/415714451.db2.gz PFVXOETVOSSFQQ-FZMZJTMJSA-N 0 0 314.393 0.748 10 0 DCAERN CC[C@H]1CN(C(=O)C(=O)Nc2nocc2C)CCN1C[C@@H](C)O ZINC000119134330 415738705 /nfs/dbraw/zinc/73/87/05/415738705.db2.gz UXVPXXGLTCJILZ-NEPJUHHUSA-N 0 0 324.381 0.225 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000120350552 415762725 /nfs/dbraw/zinc/76/27/25/415762725.db2.gz ZOPHFZNUVKZNTB-WCQYABFASA-N 0 0 319.361 0.365 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 ZINC000120536468 415775435 /nfs/dbraw/zinc/77/54/35/415775435.db2.gz BTGBIWINSOOXFR-ZIAGYGMSSA-N 0 0 305.378 0.948 10 0 DCAERN O=C(Nc1cccnc1-n1cccn1)C(=O)N1CCC[C@H]1CO ZINC000121009553 415788933 /nfs/dbraw/zinc/78/89/33/415788933.db2.gz JKLBDBWSFWQHOU-NSHDSACASA-N 0 0 315.333 0.189 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccc(-n3cncn3)cc2C)C1 ZINC000121594804 415814051 /nfs/dbraw/zinc/81/40/51/415814051.db2.gz KRXKBGVTXXAEMD-UHFFFAOYSA-N 0 0 313.361 0.784 10 0 DCAERN COCCN1C[C@H](C(=O)Nc2nnc3cc(C)ccn32)CC1=O ZINC000121853072 415819738 /nfs/dbraw/zinc/81/97/38/415819738.db2.gz UZKQAYWILQQZTA-LLVKDONJSA-N 0 0 317.349 0.471 10 0 DCAERN CC1CCN(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000336836557 415825041 /nfs/dbraw/zinc/82/50/41/415825041.db2.gz WVPYAZVIHVPQGU-GFCCVEGCSA-N 0 0 303.428 0.804 10 0 DCAERN CS(=O)(=O)N1CC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000126393542 415873430 /nfs/dbraw/zinc/87/34/30/415873430.db2.gz WUYVYNOHEULFHT-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CC[C@@H](CO)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000126574110 415877312 /nfs/dbraw/zinc/87/73/12/415877312.db2.gz NKIVHWOAZQHPEA-YPMHNXCESA-N 0 0 318.377 0.855 10 0 DCAERN C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H](C)O1 ZINC000126905060 415881943 /nfs/dbraw/zinc/88/19/43/415881943.db2.gz DOIKGWSVCUJLLJ-ZIAGYGMSSA-N 0 0 305.426 0.838 10 0 DCAERN C[C@@H](CCO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000127234040 415885755 /nfs/dbraw/zinc/88/57/55/415885755.db2.gz REXUJALSQINQQQ-WCQYABFASA-N 0 0 306.362 0.884 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)O1 ZINC000128475223 415899612 /nfs/dbraw/zinc/89/96/12/415899612.db2.gz GRLSFNMTCARUKA-PWSUYJOCSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@H](CO)CC(C)(C)C)C[C@@H](C)O1 ZINC000128756272 415901038 /nfs/dbraw/zinc/90/10/38/415901038.db2.gz ZTPRPQFUWHRFQZ-UTUOFQBUSA-N 0 0 308.444 0.727 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000129004826 415904626 /nfs/dbraw/zinc/90/46/26/415904626.db2.gz VXWNMIQIYPJADN-UHFFFAOYSA-N 0 0 323.397 0.022 10 0 DCAERN Cn1c2cccc(C(=O)N3C[C@@H]4[C@H](C3)OCCN4C)c2oc1=O ZINC000128935161 415904939 /nfs/dbraw/zinc/90/49/39/415904939.db2.gz BYFRBQCQWHVMBN-OLZOCXBDSA-N 0 0 317.345 0.287 10 0 DCAERN O=C(CNC(=O)N1CCN(CC(F)F)CC1)N1CCCC1 ZINC000130802346 415923460 /nfs/dbraw/zinc/92/34/60/415923460.db2.gz OJGDTVJXIBNQKR-UHFFFAOYSA-N 0 0 304.341 0.201 10 0 DCAERN CCc1noc(C)c1NC(=O)C(=O)N1CCNC(=O)[C@H]1C(C)C ZINC000130996185 415923856 /nfs/dbraw/zinc/92/38/56/415923856.db2.gz WPUAAZXRIKDUTQ-GFCCVEGCSA-N 0 0 322.365 0.467 10 0 DCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000131168489 415925692 /nfs/dbraw/zinc/92/56/92/415925692.db2.gz WEUGWJIDVCQBKQ-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CCC[C@@H](NC(N)=O)C(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000131065500 415927539 /nfs/dbraw/zinc/92/75/39/415927539.db2.gz MJLDCMBXYBVZDN-VXGBXAGGSA-N 0 0 300.403 0.003 10 0 DCAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCN(C2CC2)CC1 ZINC000124872559 415853227 /nfs/dbraw/zinc/85/32/27/415853227.db2.gz IPIANILCKPJUQM-UHFFFAOYSA-N 0 0 301.346 0.938 10 0 DCAERN CCc1oc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C ZINC000125186198 415862686 /nfs/dbraw/zinc/86/26/86/415862686.db2.gz PVJXPEDDXKNULC-JTQLQIEISA-N 0 0 300.380 0.914 10 0 DCAERN Cc1cccc2c1N(C(=O)C(=O)N1CCNC(=O)CC1)CC2 ZINC000133700144 415948548 /nfs/dbraw/zinc/94/85/48/415948548.db2.gz OPYVASVWGYQBRH-UHFFFAOYSA-N 0 0 301.346 0.233 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)CCO ZINC000133917631 415950425 /nfs/dbraw/zinc/95/04/25/415950425.db2.gz HILDYGKDWLOYDI-ZETCQYMHSA-N 0 0 305.352 0.732 10 0 DCAERN C[C@@H](CNC(=O)[C@@H]1CCCc2n[nH]cc21)CN1CCOCC1 ZINC000134388617 415956246 /nfs/dbraw/zinc/95/62/46/415956246.db2.gz ZMUSGSVTCFAFGT-QWHCGFSZSA-N 0 0 306.410 0.914 10 0 DCAERN Cn1cc(N2CCC[C@@H](NC(=O)CCn3cccn3)C2)cn1 ZINC000151543605 415963652 /nfs/dbraw/zinc/96/36/52/415963652.db2.gz QLAHNBYTDWXSEA-CYBMUJFWSA-N 0 0 302.382 0.792 10 0 DCAERN CS[C@@H](CO)[C@H](C)NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000152682888 415969349 /nfs/dbraw/zinc/96/93/49/415969349.db2.gz SFZYYFOKOJKVFO-CABZTGNLSA-N 0 0 309.391 0.558 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)co1 ZINC000153110157 415975229 /nfs/dbraw/zinc/97/52/29/415975229.db2.gz DMSWLQZYXSWRGW-MWLCHTKSSA-N 0 0 316.379 0.469 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)c1cccnc1N1CCCCC1 ZINC000153279171 415979169 /nfs/dbraw/zinc/97/91/69/415979169.db2.gz FLJLWHWAGQXZDN-LBPRGKRZSA-N 0 0 316.361 0.607 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N[C@H]3CCC(=O)NC3=O)[nH]n2)cc1 ZINC000153464468 415980846 /nfs/dbraw/zinc/98/08/46/415980846.db2.gz BSLHBOWIDHDDCS-NSHDSACASA-N 0 0 312.329 0.920 10 0 DCAERN CCc1c(C(=O)N[C@H]2CCC(=O)NC2=O)[nH]c(C)c1C(C)=O ZINC000153438821 415981065 /nfs/dbraw/zinc/98/10/65/415981065.db2.gz WZPKRCPVTOECBE-JTQLQIEISA-N 0 0 305.334 0.623 10 0 DCAERN O=C(C[C@@H]1NC(=O)NC1=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000153527343 415982731 /nfs/dbraw/zinc/98/27/31/415982731.db2.gz NGSFFLYRJXQQRV-LBPRGKRZSA-N 0 0 305.309 0.915 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000153665533 415986580 /nfs/dbraw/zinc/98/65/80/415986580.db2.gz VYJXNJKKDTXEHG-NEPJUHHUSA-N 0 0 308.382 0.899 10 0 DCAERN C[C@@H](CO)[C@H](C)NC(=O)NCCNC(=O)c1ccccc1F ZINC000153956617 415990246 /nfs/dbraw/zinc/99/02/46/415990246.db2.gz OCCKSADCYVSZHA-QWRGUYRKSA-N 0 0 311.357 0.872 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000155049474 415992660 /nfs/dbraw/zinc/99/26/60/415992660.db2.gz ABFJNMXARITGBY-WDEREUQCSA-N 0 0 321.381 0.244 10 0 DCAERN CC(=O)NCCNC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000155185558 415995491 /nfs/dbraw/zinc/99/54/91/415995491.db2.gz OYJNRFWBFITQAQ-NSHDSACASA-N 0 0 308.386 0.152 10 0 DCAERN CC(C)NC(=O)CCNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000171900064 416042849 /nfs/dbraw/zinc/04/28/49/416042849.db2.gz CHDYNWXCVGGVRB-ZDUSSCGKSA-N 0 0 323.397 0.208 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)NCCN1CCCC[C@@H]1C ZINC000172133785 416043481 /nfs/dbraw/zinc/04/34/81/416043481.db2.gz NYQXHKXCAUSVTB-RYUDHWBXSA-N 0 0 305.444 0.593 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1 ZINC000172439598 416044866 /nfs/dbraw/zinc/04/48/66/416044866.db2.gz ZTCXWKGNCCUMHL-DTWKUNHWSA-N 0 0 320.374 0.530 10 0 DCAERN CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccccn2)c1 ZINC000172401279 416045902 /nfs/dbraw/zinc/04/59/02/416045902.db2.gz SYHJHAVBDVBNAF-UHFFFAOYSA-N 0 0 312.329 0.810 10 0 DCAERN Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1)CC2 ZINC000172579792 416048021 /nfs/dbraw/zinc/04/80/21/416048021.db2.gz YGRXPFDCWFJLMP-SDDRHHMPSA-N 0 0 320.397 0.245 10 0 DCAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000173084995 416052725 /nfs/dbraw/zinc/05/27/25/416052725.db2.gz IYFRGKFCNUAPKN-NOZJJQNGSA-N 0 0 315.329 0.587 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)[C@H](O)c3ccccc3)CCO2)[nH]1 ZINC000173405940 416056591 /nfs/dbraw/zinc/05/65/91/416056591.db2.gz KYFOVSRGRIZMRU-CHWSQXEVSA-N 0 0 302.334 0.747 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H](O)c3ccccc3)CCO2)[nH]1 ZINC000173405957 416057517 /nfs/dbraw/zinc/05/75/17/416057517.db2.gz KYFOVSRGRIZMRU-STQMWFEESA-N 0 0 302.334 0.747 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cnn(C)c3)CCO2)[nH]1 ZINC000173520324 416060388 /nfs/dbraw/zinc/06/03/88/416060388.db2.gz APDVVCUIHONZMZ-LBPRGKRZSA-N 0 0 304.354 0.379 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3cccc(C(N)=O)c3)CCO2)[nH]1 ZINC000173604557 416061782 /nfs/dbraw/zinc/06/17/82/416061782.db2.gz YNVJGKYIIGDISL-GFCCVEGCSA-N 0 0 315.333 0.426 10 0 DCAERN CSc1cc(CNC(=O)N(C)Cc2nnnn2C)ccn1 ZINC000357434587 416080117 /nfs/dbraw/zinc/08/01/17/416080117.db2.gz IRUOMDVWPBANEH-UHFFFAOYSA-N 0 0 307.383 0.669 10 0 DCAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)[nH]1 ZINC000173733487 416063977 /nfs/dbraw/zinc/06/39/77/416063977.db2.gz ATCNFFYZLNZYHD-VIFPVBQESA-N 0 0 314.392 0.937 10 0 DCAERN COc1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000173906946 416067425 /nfs/dbraw/zinc/06/74/25/416067425.db2.gz VKKQUTQDWJVAFD-AWEZNQCLSA-N 0 0 320.393 0.706 10 0 DCAERN COCCOCCC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173877790 416068695 /nfs/dbraw/zinc/06/86/95/416068695.db2.gz PQRFLEXUCCXRAP-KBPBESRZSA-N 0 0 300.399 0.219 10 0 DCAERN COC(=O)[C@H](O)C1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000357384191 416070694 /nfs/dbraw/zinc/07/06/94/416070694.db2.gz YLMQTLUYBNTZEV-OAHLLOKOSA-N 0 0 307.346 0.707 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000300172203 416073241 /nfs/dbraw/zinc/07/32/41/416073241.db2.gz QZQOYURRWLTESN-UTUOFQBUSA-N 0 0 305.396 0.817 10 0 DCAERN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)c1cccc(Cl)c1 ZINC000174165531 416073799 /nfs/dbraw/zinc/07/37/99/416073799.db2.gz ANKCAYFFMQKPOH-MRVPVSSYSA-N 0 0 307.741 0.908 10 0 DCAERN Cc1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1C(N)=O ZINC000158860413 416002852 /nfs/dbraw/zinc/00/28/52/416002852.db2.gz CKWLPQCTSZWIEL-GFCCVEGCSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000158787548 416003803 /nfs/dbraw/zinc/00/38/03/416003803.db2.gz NMGDUBWNHBSORF-UWVGGRQHSA-N 0 0 321.420 0.385 10 0 DCAERN Cc1ccc([C@H]2CN(CCCN3C(=O)CNC3=O)CCO2)o1 ZINC000158874083 416005372 /nfs/dbraw/zinc/00/53/72/416005372.db2.gz RIOAJXLLDPPQOW-CYBMUJFWSA-N 0 0 307.350 0.903 10 0 DCAERN CC[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)N1CCCC1=O ZINC000162936882 416014498 /nfs/dbraw/zinc/01/44/98/416014498.db2.gz USVWTUXUPWKPDI-LLVKDONJSA-N 0 0 316.423 0.423 10 0 DCAERN CCOC(=O)CN(C)C(=O)CN1CC[C@](O)(C(F)(F)F)C1 ZINC000174748215 416085626 /nfs/dbraw/zinc/08/56/26/416085626.db2.gz RPZOKSHMVVHBGW-LLVKDONJSA-N 0 0 312.288 0.007 10 0 DCAERN CNC(=O)Cn1cnc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000174720852 416085679 /nfs/dbraw/zinc/08/56/79/416085679.db2.gz BSPIPMBNXXCELH-ZANVPECISA-N 0 0 315.333 0.527 10 0 DCAERN CC(C)C[C@H](CCO)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000174750822 416086624 /nfs/dbraw/zinc/08/66/24/416086624.db2.gz VITCLXBEPBEINZ-UONOGXRCSA-N 0 0 301.431 0.661 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000174883319 416090989 /nfs/dbraw/zinc/09/09/89/416090989.db2.gz MVEWSCUKYLYYCK-UHFFFAOYSA-N 0 0 323.368 0.961 10 0 DCAERN CNC(=O)[C@@H](Nc1cc(N2CCC[C@H](CO)C2)ncn1)C(C)C ZINC000301784090 416092749 /nfs/dbraw/zinc/09/27/49/416092749.db2.gz OGMPDHKWWNLRHA-WFASDCNBSA-N 0 0 321.425 0.868 10 0 DCAERN NC(=O)c1cc(Cl)nnc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000175013491 416093609 /nfs/dbraw/zinc/09/36/09/416093609.db2.gz IDABKQUTKZCXPN-VIFPVBQESA-N 0 0 313.789 0.488 10 0 DCAERN O=C([C@H]1CNC(=O)C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175037640 416094911 /nfs/dbraw/zinc/09/49/11/416094911.db2.gz FLIWRNYWLLUFLA-TZMCWYRMSA-N 0 0 310.394 0.699 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCN2CCCC2=O)[C@H](C)C1 ZINC000357567778 416097146 /nfs/dbraw/zinc/09/71/46/416097146.db2.gz WPVJKBQFANZLGX-GFCCVEGCSA-N 0 0 310.398 0.261 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)NCCCn3cccn3)CCO2)[nH]1 ZINC000175357563 416103804 /nfs/dbraw/zinc/10/38/04/416103804.db2.gz GWVROWXLCCBIJG-GFCCVEGCSA-N 0 0 319.369 0.483 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)cc1 ZINC000313684451 416109493 /nfs/dbraw/zinc/10/94/93/416109493.db2.gz LLIGASHZOAVYTO-CYBMUJFWSA-N 0 0 301.364 0.203 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCCF ZINC000175567438 416110409 /nfs/dbraw/zinc/11/04/09/416110409.db2.gz WBFRVUKJOJBCPD-CYBMUJFWSA-N 0 0 316.398 0.965 10 0 DCAERN O=C(NCCc1cn[nH]c1)NCCc1nnc2n1CCCCC2 ZINC000357658133 416111479 /nfs/dbraw/zinc/11/14/79/416111479.db2.gz BMYQEFBVVOYWTB-UHFFFAOYSA-N 0 0 317.397 0.812 10 0 DCAERN C[C@@H]1CN(C(=O)NCC2CCOCC2)C[C@H]1N1CCOCC1 ZINC000175735062 416111619 /nfs/dbraw/zinc/11/16/19/416111619.db2.gz CDYOMAVYYWZIQN-UKRRQHHQSA-N 0 0 311.426 0.775 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CCC[C@H]3CO)C2)cn1 ZINC000175716123 416112347 /nfs/dbraw/zinc/11/23/47/416112347.db2.gz XVAUSIXCUUXBGO-STQMWFEESA-N 0 0 307.398 0.555 10 0 DCAERN Cc1noc(CCNC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000175743161 416112841 /nfs/dbraw/zinc/11/28/41/416112841.db2.gz AUXWRGSQIOYQAN-DGCLKSJQSA-N 0 0 323.397 0.283 10 0 DCAERN Cc1nc(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)no1 ZINC000175816339 416114138 /nfs/dbraw/zinc/11/41/38/416114138.db2.gz WGKSQUAGXALAJG-PWSUYJOCSA-N 0 0 309.370 0.240 10 0 DCAERN O=C(NCCN1CCOCC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000175871933 416115100 /nfs/dbraw/zinc/11/51/00/416115100.db2.gz AQIPXUXNJUAKKR-NSHDSACASA-N 0 0 311.304 0.027 10 0 DCAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@H](C(N)=O)C3)nc21 ZINC000175960493 416115678 /nfs/dbraw/zinc/11/56/78/416115678.db2.gz NZMHIHHJAXNWGM-LBPRGKRZSA-N 0 0 316.361 0.517 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCC2(O)CCCC2)cc1 ZINC000175954090 416115894 /nfs/dbraw/zinc/11/58/94/416115894.db2.gz FOKGWPXSZDWJPJ-UHFFFAOYSA-N 0 0 306.362 0.846 10 0 DCAERN Cc1csc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)n1 ZINC000175877049 416116918 /nfs/dbraw/zinc/11/69/18/416116918.db2.gz HJVYLRAVQQYZKQ-UHFFFAOYSA-N 0 0 312.395 0.763 10 0 DCAERN COC(=O)[C@@H](C)CS(=O)(=O)Cc1nsc(N(C)C)n1 ZINC000357712432 416119950 /nfs/dbraw/zinc/11/99/50/416119950.db2.gz ABCVRNJAXZZOGQ-ZETCQYMHSA-N 0 0 307.397 0.328 10 0 DCAERN CC(C)c1noc([C@@]2(O)CCN(S(=O)(=O)C3CC3)C2)n1 ZINC000328614379 416123016 /nfs/dbraw/zinc/12/30/16/416123016.db2.gz VWFJOUPJUOMPMX-GFCCVEGCSA-N 0 0 301.368 0.579 10 0 DCAERN CN1CCN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1c1ncc[nH]1 ZINC000328616806 416123409 /nfs/dbraw/zinc/12/34/09/416123409.db2.gz CBRXLJMRMLMTJD-CYBMUJFWSA-N 0 0 311.349 0.810 10 0 DCAERN C[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)N1CCOCC1 ZINC000176395988 416125705 /nfs/dbraw/zinc/12/57/05/416125705.db2.gz QNNQZFIYMAYABD-NWDGAFQWSA-N 0 0 308.386 0.133 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)CC(=O)N1C ZINC000328729336 416129030 /nfs/dbraw/zinc/12/90/30/416129030.db2.gz WBPOAXAVRGSJJT-GXTWGEPZSA-N 0 0 309.410 0.176 10 0 DCAERN CCOC[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC000176696017 416133064 /nfs/dbraw/zinc/13/30/64/416133064.db2.gz RDYVOSBYNAXYOR-LBPRGKRZSA-N 0 0 306.428 0.543 10 0 DCAERN O=C(N[C@@H]1CCCn2ncnc21)c1nc2ccccc2c(=O)[nH]1 ZINC000176835287 416136016 /nfs/dbraw/zinc/13/60/16/416136016.db2.gz STDOZNYWGHSDLJ-LLVKDONJSA-N 0 0 310.317 0.780 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000176882563 416136164 /nfs/dbraw/zinc/13/61/64/416136164.db2.gz GSENBUZTDGCDPV-GFCCVEGCSA-N 0 0 321.343 0.951 10 0 DCAERN Cn1ccc(NC(=O)C(=O)NCCc2cc(F)ccc2F)n1 ZINC000176921274 416138361 /nfs/dbraw/zinc/13/83/61/416138361.db2.gz YOGPUEYXFQFBNO-UHFFFAOYSA-N 0 0 308.288 0.996 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N2CCOC(C)(C)[C@@H]2C)C1 ZINC000357834416 416139535 /nfs/dbraw/zinc/13/95/35/416139535.db2.gz LACOFOSUDPDQKD-RYUDHWBXSA-N 0 0 312.414 0.999 10 0 DCAERN CC(=O)NC[C@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 ZINC000177094673 416140177 /nfs/dbraw/zinc/14/01/77/416140177.db2.gz PWEQCLCKJCIKHH-NSHDSACASA-N 0 0 320.315 0.776 10 0 DCAERN CCc1nnc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)s1 ZINC000328950409 416141064 /nfs/dbraw/zinc/14/10/64/416141064.db2.gz LGXXGOOUDHNFJW-UWVGGRQHSA-N 0 0 311.411 1.037 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000177413545 416144079 /nfs/dbraw/zinc/14/40/79/416144079.db2.gz COHIHEBCTUMGAH-WCQYABFASA-N 0 0 321.352 0.716 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)CCC1=O ZINC000177540168 416148061 /nfs/dbraw/zinc/14/80/61/416148061.db2.gz FQPNQIIHYUUQLD-QWHCGFSZSA-N 0 0 305.382 0.678 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H](C)n2nc(C)cc2C)C1 ZINC000177958711 416154952 /nfs/dbraw/zinc/15/49/52/416154952.db2.gz MCRJYNHGJIXBDK-STQMWFEESA-N 0 0 307.398 0.981 10 0 DCAERN C[C@@H](CCc1cccn1C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000174568466 416080615 /nfs/dbraw/zinc/08/06/15/416080615.db2.gz JEOASQFPKUEXQQ-NSHDSACASA-N 0 0 320.393 0.793 10 0 DCAERN CC(=O)Nc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)ccc1F ZINC000178631488 416168003 /nfs/dbraw/zinc/16/80/03/416168003.db2.gz SYABVUZDBRBIRN-CYBMUJFWSA-N 0 0 320.368 0.514 10 0 DCAERN CC(C)(C)C(=O)NCCCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000178649866 416168149 /nfs/dbraw/zinc/16/81/49/416168149.db2.gz XQQFCFUGPPAZIS-CYBMUJFWSA-N 0 0 310.442 0.045 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(C)C ZINC000178683727 416168675 /nfs/dbraw/zinc/16/86/75/416168675.db2.gz VQZSBTWRDKYQHJ-LBPRGKRZSA-N 0 0 303.366 0.777 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CNC(=O)CCC1CCCC1)C(C)C ZINC000178681490 416168834 /nfs/dbraw/zinc/16/88/34/416168834.db2.gz VBSGYEBLDNUCLI-HNNXBMFYSA-N 0 0 311.426 0.960 10 0 DCAERN CNC(=O)[C@@H](NC(=O)C[C@@H]1c2ccccc2NC1=O)C(C)C ZINC000178697622 416168876 /nfs/dbraw/zinc/16/88/76/416168876.db2.gz UTSXOMAQHGXBQQ-RISCZKNCSA-N 0 0 303.362 0.999 10 0 DCAERN CNC(=O)[C@H](NC(=O)CCS(=O)(=O)CC(C)C)C(C)C ZINC000178691943 416169642 /nfs/dbraw/zinc/16/96/42/416169642.db2.gz ZJKKNRGVYJQKGE-GFCCVEGCSA-N 0 0 306.428 0.334 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(C)C ZINC000178721976 416170450 /nfs/dbraw/zinc/17/04/50/416170450.db2.gz NMXCABZQYOFGRQ-WPRPVWTQSA-N 0 0 323.315 0.284 10 0 DCAERN CC(C)(C)OC(=O)NC1(C(=O)NC[C@H]2CN3CCN2CC3)CC1 ZINC000178718437 416170750 /nfs/dbraw/zinc/17/07/50/416170750.db2.gz RJTGUQSPBKVIOB-LBPRGKRZSA-N 0 0 324.425 0.160 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178724962 416171201 /nfs/dbraw/zinc/17/12/01/416171201.db2.gz TXDAFAJVZCECSE-PBHICJAKSA-N 0 0 314.341 0.637 10 0 DCAERN COC[C@@](C)(CCO)NC(=O)CCNC(=O)c1ccsc1 ZINC000182857373 416233299 /nfs/dbraw/zinc/23/32/99/416233299.db2.gz GLHCGBDZVUDPNM-CQSZACIVSA-N 0 0 314.407 0.772 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000329563321 416176605 /nfs/dbraw/zinc/17/66/05/416176605.db2.gz GUGDRMMWBKQIIX-BFHYXJOUSA-N 0 0 308.378 0.594 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)c3cn(C)cn3)CC2)no1 ZINC000179387109 416187250 /nfs/dbraw/zinc/18/72/50/416187250.db2.gz NBUOSSCEGVPEJD-UHFFFAOYSA-N 0 0 304.354 0.460 10 0 DCAERN COc1n[nH]c(NC(=O)CNC(=O)Cc2cccc(F)c2)n1 ZINC000179377467 416187506 /nfs/dbraw/zinc/18/75/06/416187506.db2.gz AGFKGBLBHRYYAV-UHFFFAOYSA-N 0 0 307.285 0.250 10 0 DCAERN Cc1c(CNC(=O)Cn2cnc3ccccc3c2=O)cnn1C ZINC000179906422 416193258 /nfs/dbraw/zinc/19/32/58/416193258.db2.gz WASMQSOSIPYDTB-UHFFFAOYSA-N 0 0 311.345 0.755 10 0 DCAERN Cc1cccnc1CNC(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000358128369 416197562 /nfs/dbraw/zinc/19/75/62/416197562.db2.gz JZABCDWXFMGLKK-LBPRGKRZSA-N 0 0 323.418 0.333 10 0 DCAERN CNC(=O)C1(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000180871668 416201476 /nfs/dbraw/zinc/20/14/76/416201476.db2.gz PIANWYOVRCHANE-BWBHSNQOSA-N 0 0 310.394 0.951 10 0 DCAERN COCCCOCC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000181264324 416204486 /nfs/dbraw/zinc/20/44/86/416204486.db2.gz BUCOCXRKQKVWRF-LBPRGKRZSA-N 0 0 310.398 0.886 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1 ZINC000426906042 287325136 /nfs/dbraw/zinc/32/51/36/287325136.db2.gz ARQJSMPXFPUUPD-VIFPVBQESA-N 0 0 313.379 0.076 10 0 DCAERN Cn1cc([C@H]2CNCCN2C(=O)COCC(F)(F)F)cn1 ZINC000181377282 416206572 /nfs/dbraw/zinc/20/65/72/416206572.db2.gz REKNBIOESNTZFH-SNVBAGLBSA-N 0 0 306.288 0.472 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181362544 416207045 /nfs/dbraw/zinc/20/70/45/416207045.db2.gz UDLSIVRMKBXBOS-SNVBAGLBSA-N 0 0 315.399 0.140 10 0 DCAERN Cc1cccc2[nH]cc(CCNC(=O)Cn3ncn(C)c3=O)c21 ZINC000181531012 416207441 /nfs/dbraw/zinc/20/74/41/416207441.db2.gz JSBWPVVWZNHEIU-UHFFFAOYSA-N 0 0 313.361 0.730 10 0 DCAERN Cc1cccc(OCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 ZINC000181806003 416211755 /nfs/dbraw/zinc/21/17/55/416211755.db2.gz AXBBEMUXDRQABS-UHFFFAOYSA-N 0 0 303.362 0.850 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)NC[C@H](CO)C2CC2)c(C)o1 ZINC000358296541 416221833 /nfs/dbraw/zinc/22/18/33/416221833.db2.gz DJZYWGDZAKSMDW-SNVBAGLBSA-N 0 0 316.379 0.244 10 0 DCAERN CNC(=O)[C@@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000182453642 416223113 /nfs/dbraw/zinc/22/31/13/416223113.db2.gz YWOVWAXIWIHCQA-AWEZNQCLSA-N 0 0 301.350 0.214 10 0 DCAERN CC1(C)NC(=O)N(CCCC(=O)NC[C@@H](CO)C2CC2)C1=O ZINC000358331659 416223155 /nfs/dbraw/zinc/22/31/55/416223155.db2.gz GWPKBQHWWIJDQF-NSHDSACASA-N 0 0 311.382 0.232 10 0 DCAERN COc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3C(N)=O)c21 ZINC000182780946 416231740 /nfs/dbraw/zinc/23/17/40/416231740.db2.gz DDZFXDNBUYCUBB-LBPRGKRZSA-N 0 0 317.345 0.432 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)NCCc1cn[nH]c1 ZINC000357947641 416158037 /nfs/dbraw/zinc/15/80/37/416158037.db2.gz HAPRAWROULFSSF-CHWSQXEVSA-N 0 0 312.370 0.072 10 0 DCAERN CCc1nnc([C@H]2CN(C(=O)NC[C@H](C)COC)CCO2)[nH]1 ZINC000178141552 416158100 /nfs/dbraw/zinc/15/81/00/416158100.db2.gz JPJOFDBBCHZSLM-WDEREUQCSA-N 0 0 311.386 0.733 10 0 DCAERN Cc1nccn1CCNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000357977461 416165077 /nfs/dbraw/zinc/16/50/77/416165077.db2.gz CBKWGQSBWWYDEZ-KBPBESRZSA-N 0 0 304.394 0.956 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)NC[C@H](CO)C1CC1 ZINC000358475279 416242619 /nfs/dbraw/zinc/24/26/19/416242619.db2.gz YURVNAQMSUSDGN-CYBMUJFWSA-N 0 0 321.425 0.865 10 0 DCAERN COCCN1CCN(C(=O)c2cc(C(=O)OC)co2)C[C@H]1C ZINC000183675485 416249202 /nfs/dbraw/zinc/24/92/02/416249202.db2.gz ZLAFHFSHPCQUDF-LLVKDONJSA-N 0 0 310.350 0.859 10 0 DCAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cccc(Cl)n1 ZINC000183854804 416249553 /nfs/dbraw/zinc/24/95/53/416249553.db2.gz NTRNZGBUZMIZBH-JTQLQIEISA-N 0 0 314.773 0.550 10 0 DCAERN CCc1nn(C)c(OC)c1CNS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000190393491 416278156 /nfs/dbraw/zinc/27/81/56/416278156.db2.gz WPXZJAZAPKXGBV-SKDRFNHKSA-N 0 0 317.411 0.588 10 0 DCAERN C[C@H]1C(=O)N(C)CCN1C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000187082520 416258306 /nfs/dbraw/zinc/25/83/06/416258306.db2.gz LUHWIYPEMAJBFG-VIFPVBQESA-N 0 0 300.318 0.226 10 0 DCAERN COCCCn1ccc(NC(=O)N(C)Cc2noc(C)n2)n1 ZINC000358648155 416263529 /nfs/dbraw/zinc/26/35/29/416263529.db2.gz IYAJCBJNHFHSCM-UHFFFAOYSA-N 0 0 308.342 1.275 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000331101117 416264982 /nfs/dbraw/zinc/26/49/82/416264982.db2.gz BRSDBADIEIRBMD-ZCFIWIBFSA-N 0 0 323.300 0.361 10 0 DCAERN CC(=O)N1CCN(C(=O)[C@@H](C(C)C)N2CCCC2=O)[C@@H](C)C1 ZINC000358683392 416268346 /nfs/dbraw/zinc/26/83/46/416268346.db2.gz DQAJNBBSZLAFIO-SWLSCSKDSA-N 0 0 309.410 0.713 10 0 DCAERN CCCn1ccnc1CCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000192252337 416302576 /nfs/dbraw/zinc/30/25/76/416302576.db2.gz YUQSIMDGZQHAQU-NSHDSACASA-N 0 0 321.381 0.282 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C)C1 ZINC000359059545 416304452 /nfs/dbraw/zinc/30/44/52/416304452.db2.gz BBUCUQLSYHKHGO-AAEUAGOBSA-N 0 0 324.425 0.648 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)NCc1noc(C)n1 ZINC000193356896 416315400 /nfs/dbraw/zinc/31/54/00/416315400.db2.gz YNHNXHSTLOGCHE-UHFFFAOYSA-N 0 0 304.306 0.950 10 0 DCAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N1CCNC(=O)CC1 ZINC000193393922 416316195 /nfs/dbraw/zinc/31/61/95/416316195.db2.gz HQDCBDAOPVAHCS-UHFFFAOYSA-N 0 0 322.390 0.309 10 0 DCAERN CC1(C)CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC(C)(C)O1 ZINC000190528845 416279818 /nfs/dbraw/zinc/27/98/18/416279818.db2.gz GIQMDPNIWWURFY-GFCCVEGCSA-N 0 0 311.426 0.600 10 0 DCAERN CC[C@]1(C)CN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000190596342 416280513 /nfs/dbraw/zinc/28/05/13/416280513.db2.gz QTZQTTMCNAMDIE-FRRDWIJNSA-N 0 0 306.428 0.841 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](CO)CC(F)(F)F ZINC000331199321 416285444 /nfs/dbraw/zinc/28/54/44/416285444.db2.gz UGSYGNPWRQKTAU-RXMQYKEDSA-N 0 0 321.708 0.665 10 0 DCAERN CCN1CN(CCS(=O)(=O)c2cccc(OC)c2)CC1=O ZINC000191551882 416287675 /nfs/dbraw/zinc/28/76/75/416287675.db2.gz GSZBDFTYOUERNY-UHFFFAOYSA-N 0 0 312.391 0.591 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CCOC)C1 ZINC000358888825 416289318 /nfs/dbraw/zinc/28/93/18/416289318.db2.gz MTZVNKVJJCJYAJ-VXGBXAGGSA-N 0 0 313.398 0.045 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000191916955 416292112 /nfs/dbraw/zinc/29/21/12/416292112.db2.gz UBLFMTOOFJKFTE-STQMWFEESA-N 0 0 322.361 0.457 10 0 DCAERN Cn1nc(Br)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000191999057 416295768 /nfs/dbraw/zinc/29/57/68/416295768.db2.gz FXUBZYRBDUDXGN-QMMMGPOBSA-N 0 0 317.187 0.243 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000248664202 416333854 /nfs/dbraw/zinc/33/38/54/416333854.db2.gz KSUZHGCTYAJJRE-ZJUUUORDSA-N 0 0 315.399 0.138 10 0 DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248886643 416334013 /nfs/dbraw/zinc/33/40/13/416334013.db2.gz AEUHHKLLAQAXEW-GHMZBOCLSA-N 0 0 321.343 0.998 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000252666741 416334559 /nfs/dbraw/zinc/33/45/59/416334559.db2.gz BOUBDOJAVJUNPI-GPCCPHFNSA-N 0 0 312.391 0.462 10 0 DCAERN NC(=O)N1CC[C@@H](NC(=O)c2coc(Br)c2)C1 ZINC000265119925 416340185 /nfs/dbraw/zinc/34/01/85/416340185.db2.gz NKHDFRAPCGUSHW-SSDOTTSWSA-N 0 0 302.128 0.925 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@H](CO)CC1CCC1 ZINC000359340700 416342449 /nfs/dbraw/zinc/34/24/49/416342449.db2.gz LMOGBSMYVQGHNQ-BBRMVZONSA-N 0 0 308.378 0.267 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2OCCC3)C[C@H]1O ZINC000359431101 416345521 /nfs/dbraw/zinc/34/55/21/416345521.db2.gz WRDGOBLFUOFQFM-GXFFZTMASA-N 0 0 304.346 0.789 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)c2ccc(C(N)=O)nc2)no1 ZINC000359513605 416349033 /nfs/dbraw/zinc/34/90/33/416349033.db2.gz WNKHSLLIKPJSEB-MRVPVSSYSA-N 0 0 319.321 0.591 10 0 DCAERN COC(=O)C(C)(C)N1CCN(C(=O)c2cncc(OC)n2)CC1 ZINC000359707726 416354320 /nfs/dbraw/zinc/35/43/20/416354320.db2.gz RYZMBZUGJRWRBG-UHFFFAOYSA-N 0 0 322.365 0.195 10 0 DCAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000194658185 416324535 /nfs/dbraw/zinc/32/45/35/416324535.db2.gz RMOFSCMOYDXMAC-SNVBAGLBSA-N 0 0 315.395 0.402 10 0 DCAERN COCCCn1c(=O)[nH]nc1SCc1nnnn1C(C)C ZINC000195517069 416326561 /nfs/dbraw/zinc/32/65/61/416326561.db2.gz BRJFDRPBUNBRHV-UHFFFAOYSA-N 0 0 313.387 0.468 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCC(CN2CCCCC2=O)CC1 ZINC000238041572 416329708 /nfs/dbraw/zinc/32/97/08/416329708.db2.gz MGFHZHUCQDBTDX-AWEZNQCLSA-N 0 0 309.410 0.226 10 0 DCAERN COCCn1cc(C(=O)NCc2nnc3ccccn32)c(C)n1 ZINC000359915356 416365820 /nfs/dbraw/zinc/36/58/20/416365820.db2.gz LLYUZDJUYUXZSR-UHFFFAOYSA-N 0 0 314.349 0.811 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@](C)(CC)OC ZINC000360312233 416385850 /nfs/dbraw/zinc/38/58/50/416385850.db2.gz ZROOPOVUCUXLNC-BFVZDQMLSA-N 0 0 302.371 0.374 10 0 DCAERN CC(C)Oc1cccc(CNC(=O)CN2CC(=O)N(C)C2)c1 ZINC000360464057 416391376 /nfs/dbraw/zinc/39/13/76/416391376.db2.gz BCCZIWLDYVZDSA-UHFFFAOYSA-N 0 0 305.378 0.822 10 0 DCAERN C[C@@H](CNc1ncc(F)c(-c2ccsc2)n1)S(N)(=O)=O ZINC000418892329 416393133 /nfs/dbraw/zinc/39/31/33/416393133.db2.gz FTQVWMQBUMNAFA-ZETCQYMHSA-N 0 0 316.383 1.433 10 0 DCAERN O=C(CN1C[C@@H](O)C[C@@H]1CO)NC12CC3CC(CC(C3)C1)C2 ZINC000360502840 416393764 /nfs/dbraw/zinc/39/37/64/416393764.db2.gz GPSLCERKELJLPA-JQOLXWHASA-N 0 0 308.422 0.499 10 0 DCAERN COc1ccc(CN(C(=O)CN2CC(=O)N(C)C2)C2CC2)cc1 ZINC000360506266 416394037 /nfs/dbraw/zinc/39/40/37/416394037.db2.gz YTPUZBAWWVHHTO-UHFFFAOYSA-N 0 0 317.389 0.918 10 0 DCAERN CNC(=O)NCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360564967 416397004 /nfs/dbraw/zinc/39/70/04/416397004.db2.gz XUSYYEIVRCYTSX-ZDUSSCGKSA-N 0 0 307.350 0.222 10 0 DCAERN COCCOCC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360574790 416397110 /nfs/dbraw/zinc/39/71/10/416397110.db2.gz QKTTZPDAJGSGMT-HNNXBMFYSA-N 0 0 309.362 0.956 10 0 DCAERN C[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000360575200 416397216 /nfs/dbraw/zinc/39/72/16/416397216.db2.gz WBRNPKMCYOSAJS-DGCLKSJQSA-N 0 0 307.350 0.350 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)NCc2ccc3cc[nH]c3n2)C1 ZINC000360702161 416404930 /nfs/dbraw/zinc/40/49/30/416404930.db2.gz SNKDVDNXPKZAIQ-NSHDSACASA-N 0 0 302.338 0.515 10 0 DCAERN CNC(=O)[C@@H](CCSC)NC(=O)c1cccc2ncnn21 ZINC000360816007 416411995 /nfs/dbraw/zinc/41/19/95/416411995.db2.gz NBKONTQOAVEUTJ-SECBINFHSA-N 0 0 307.379 0.327 10 0 DCAERN Cc1ccc2[nH]c(CNC(=O)N3CC(=O)N[C@@H](C)C3)nc2c1 ZINC000458485286 416474571 /nfs/dbraw/zinc/47/45/71/416474571.db2.gz OJJFCCVKPMHWIA-JTQLQIEISA-N 0 0 301.350 0.901 10 0 DCAERN CC[C@H](C)c1ncc(NC(=O)C(=O)NCc2ccnn2C)cn1 ZINC000361700042 416479894 /nfs/dbraw/zinc/47/98/94/416479894.db2.gz FKCRUQNELNFOEK-JTQLQIEISA-N 0 0 316.365 0.979 10 0 DCAERN CC(=O)Nc1ccn([C@@H]2CCN(c3ncnc4n[nH]cc43)C2)n1 ZINC000583623254 416480070 /nfs/dbraw/zinc/48/00/70/416480070.db2.gz VHOHUQQFMSELQM-SNVBAGLBSA-N 0 0 312.337 0.959 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)NCC1(O)Cc2ccccc2C1 ZINC000361070711 416420135 /nfs/dbraw/zinc/42/01/35/416420135.db2.gz XWYMUKMWOAQSQL-GFCCVEGCSA-N 0 0 311.403 0.472 10 0 DCAERN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000361097417 416421005 /nfs/dbraw/zinc/42/10/05/416421005.db2.gz QPXRYGOXPBVILU-RDBSUJKOSA-N 0 0 312.410 0.681 10 0 DCAERN C/C=C\C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC ZINC000361420903 416435487 /nfs/dbraw/zinc/43/54/87/416435487.db2.gz QAKZJLMLGSULGB-VLWUPBBWSA-N 0 0 301.368 0.596 10 0 DCAERN CC(C)(C)n1cc(CN2CCC[C@H](CS(N)(=O)=O)C2)nn1 ZINC000361556576 416447914 /nfs/dbraw/zinc/44/79/14/416447914.db2.gz IPRLPWLNTKEOOW-NSHDSACASA-N 0 0 315.443 0.534 10 0 DCAERN CC(C)CNC(=O)NC(=O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000532704158 416450743 /nfs/dbraw/zinc/45/07/43/416450743.db2.gz FZJLZUIRVCWPNV-LBPRGKRZSA-N 0 0 313.398 0.884 10 0 DCAERN NC(=O)N[C@H]1CCN(CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000534229696 416496255 /nfs/dbraw/zinc/49/62/55/416496255.db2.gz ICPJXSDEADGTBF-QMMMGPOBSA-N 0 0 309.395 0.313 10 0 DCAERN C[C@H]1CN(Cc2ncccn2)CCN1c1nccn2cnnc12 ZINC000361864855 416511925 /nfs/dbraw/zinc/51/19/25/416511925.db2.gz GHNMDEKQVAHFIQ-LBPRGKRZSA-N 0 0 310.365 0.625 10 0 DCAERN CN(C)c1ccc(NC(=O)C(=O)N(C)CCCCCO)cn1 ZINC000435243326 416516234 /nfs/dbraw/zinc/51/62/34/416516234.db2.gz TXVJOKAXTUSOOC-UHFFFAOYSA-N 0 0 308.382 0.707 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCn1cnccc1=O ZINC000585237960 416520164 /nfs/dbraw/zinc/52/01/64/416520164.db2.gz ASEACBJXQDEAHG-NHYWBVRUSA-N 0 0 315.329 0.588 10 0 DCAERN O=C(CNC(=O)c1cccc2ncnn21)NC1CCCCC1 ZINC000541061899 416602341 /nfs/dbraw/zinc/60/23/41/416602341.db2.gz GFZYBXYJCGIAKP-UHFFFAOYSA-N 0 0 301.350 0.908 10 0 DCAERN c1cn2c(n1)C[C@H](Nc1ccnc(N3CCOCC3)n1)CC2 ZINC000489948916 416566956 /nfs/dbraw/zinc/56/69/56/416566956.db2.gz SVCNLDICBUTSEI-GFCCVEGCSA-N 0 0 300.366 0.937 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1nnc(CC)c(CC)n1 ZINC000362669446 416568886 /nfs/dbraw/zinc/56/88/86/416568886.db2.gz UTECNPBXDJXQHM-UWVGGRQHSA-N 0 0 323.397 0.865 10 0 DCAERN CNc1ncc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)s1 ZINC000362707495 416571192 /nfs/dbraw/zinc/57/11/92/416571192.db2.gz UBDZOZLUGCPQFN-SECBINFHSA-N 0 0 306.395 0.927 10 0 DCAERN CCN(CC(=O)OC)C(=O)CCNC(=O)c1ccc(C)cc1O ZINC000436960281 416575947 /nfs/dbraw/zinc/57/59/47/416575947.db2.gz KBLPFWKTEFCNED-UHFFFAOYSA-N 0 0 322.361 0.842 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)Cn2cncn2)[C@@]12CCCO2 ZINC000368715410 416685009 /nfs/dbraw/zinc/68/50/09/416685009.db2.gz KSVNREIEGPIBQQ-XPCVCDNBSA-N 0 0 323.397 0.692 10 0 DCAERN C[C@@H](O)C[C@@H]1COCCN1C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000547345321 416677899 /nfs/dbraw/zinc/67/78/99/416677899.db2.gz MKWSMARAFAUVQW-GHMZBOCLSA-N 0 0 311.386 1.037 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[C@@H](O)C1 ZINC000439520228 416616403 /nfs/dbraw/zinc/61/64/03/416616403.db2.gz URVVSRWIBYZKSO-IACUBPJLSA-N 0 0 310.394 0.434 10 0 DCAERN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC000543428054 416640918 /nfs/dbraw/zinc/64/09/18/416640918.db2.gz ZTRWWSXQOKDTGC-GHMZBOCLSA-N 0 0 322.390 0.815 10 0 DCAERN CC1(C)C[C@H]1NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000605934457 416642575 /nfs/dbraw/zinc/64/25/75/416642575.db2.gz MXECYCCTILNRGH-LLVKDONJSA-N 0 0 321.381 0.662 10 0 DCAERN CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc3nccnc32)C1 ZINC000543690280 416643534 /nfs/dbraw/zinc/64/35/34/416643534.db2.gz DPQBYEDBYXILQA-JTQLQIEISA-N 0 0 320.374 0.394 10 0 DCAERN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)Nc1cccnn1 ZINC000367232705 416643614 /nfs/dbraw/zinc/64/36/14/416643614.db2.gz UWNXHXNQRLXIRT-AAEUAGOBSA-N 0 0 306.366 1.166 10 0 DCAERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000440712515 416644508 /nfs/dbraw/zinc/64/45/08/416644508.db2.gz LSGYXWHXHAUBLO-WDEREUQCSA-N 0 0 301.350 0.811 10 0 DCAERN Cc1nnnn1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000440867830 416652167 /nfs/dbraw/zinc/65/21/67/416652167.db2.gz ZBDPKUFRCMGRNJ-UHFFFAOYSA-N 0 0 313.314 0.163 10 0 DCAERN O=S(=O)(NCCSCCOCCO)c1ccccc1 ZINC000545181223 416664371 /nfs/dbraw/zinc/66/43/71/416664371.db2.gz VVKUUAODIGUTGW-UHFFFAOYSA-N 0 0 305.421 0.707 10 0 DCAERN COCCCOc1ccc(C(=O)N2CC(n3ccnn3)C2)cn1 ZINC000368599976 416672807 /nfs/dbraw/zinc/67/28/07/416672807.db2.gz AGRSNKLEHWFGFY-UHFFFAOYSA-N 0 0 317.349 0.786 10 0 DCAERN O=C(Nc1cccnc1-n1cncn1)C(=O)N1CCC12CCC2 ZINC000441507193 416673877 /nfs/dbraw/zinc/67/38/77/416673877.db2.gz AZXFQDXRCHDGTA-UHFFFAOYSA-N 0 0 312.333 0.756 10 0 DCAERN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(C)CCCO)c1 ZINC000443270604 416744450 /nfs/dbraw/zinc/74/44/50/416744450.db2.gz XWGQCTADZJQMRR-UHFFFAOYSA-N 0 0 307.350 0.733 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)Cn2cncn2)[C@@]12CCCO2 ZINC000368715407 416686394 /nfs/dbraw/zinc/68/63/94/416686394.db2.gz KSVNREIEGPIBQQ-COMQUAJESA-N 0 0 323.397 0.692 10 0 DCAERN Cn1[nH]cnc1=NC(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000515541650 416703205 /nfs/dbraw/zinc/70/32/05/416703205.db2.gz NMVZWLMTFGDAAU-ZDUSSCGKSA-N 0 0 317.349 0.549 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(C(=O)NCC2([S@@](C)=O)CC2)C1 ZINC000442710907 416706436 /nfs/dbraw/zinc/70/64/36/416706436.db2.gz QYMXJXYKPYMRBT-WSVYEEACSA-N 0 0 315.439 0.598 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)Nc2cc3ccccn3n2)C1 ZINC000554416485 416706844 /nfs/dbraw/zinc/70/68/44/416706844.db2.gz HLDDKUOQVOQYCV-NSHDSACASA-N 0 0 316.365 1.260 10 0 DCAERN Cc1cc(CCNC(=O)Nc2ccn(CC(=O)N(C)C)n2)on1 ZINC000554424868 416707099 /nfs/dbraw/zinc/70/70/99/416707099.db2.gz HVQCXEDCPRYTLC-UHFFFAOYSA-N 0 0 320.353 0.632 10 0 DCAERN CC(=O)N(C)C1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000442921517 416720738 /nfs/dbraw/zinc/72/07/38/416720738.db2.gz RMGBAKBAPXZWBX-GWCFXTLKSA-N 0 0 304.412 0.436 10 0 DCAERN C[C@H](NC(=O)c1ccccc1)C(=O)NCC1([S@](C)=O)CC1 ZINC000442934676 416722088 /nfs/dbraw/zinc/72/20/88/416722088.db2.gz LKDPJLDRSRETTD-MQJDWESPSA-N 0 0 308.403 0.832 10 0 DCAERN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CCCO ZINC000442995431 416725088 /nfs/dbraw/zinc/72/50/88/416725088.db2.gz FFJRYPWMMBBHBN-ZDUSSCGKSA-N 0 0 318.381 0.116 10 0 DCAERN COC(=O)c1cc(S(=O)(=O)N(C)CCCO)ccc1OC ZINC000443097819 416732707 /nfs/dbraw/zinc/73/27/07/416732707.db2.gz ZGXUHMAFBOIPRR-UHFFFAOYSA-N 0 0 317.363 0.485 10 0 DCAERN COC(=O)[C@H]1CCCN(Cc2nnnn2CC2CCOCC2)C1 ZINC000369365440 416757990 /nfs/dbraw/zinc/75/79/90/416757990.db2.gz BMIALJUVZLTHSA-ZDUSSCGKSA-N 0 0 323.397 0.485 10 0 DCAERN CC[C@H]1CN(C(=O)c2cccc3ncnn32)C[C@@H](C)S1(=O)=O ZINC000558031596 416758676 /nfs/dbraw/zinc/75/86/76/416758676.db2.gz PMAIBRWFURZJNL-MNOVXSKESA-N 0 0 322.390 0.767 10 0 DCAERN NC(=O)NC[C@H]1CCCN(C(=O)NCCOCC2CCC2)C1 ZINC000516944191 416760975 /nfs/dbraw/zinc/76/09/75/416760975.db2.gz SISSZWFDIHFXFN-CYBMUJFWSA-N 0 0 312.414 0.893 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000369558921 416795096 /nfs/dbraw/zinc/79/50/96/416795096.db2.gz FACAVISSXWMKGE-AAEUAGOBSA-N 0 0 312.414 0.003 10 0 DCAERN C[S@](=O)c1ccc(CC(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000370102350 416882840 /nfs/dbraw/zinc/88/28/40/416882840.db2.gz CBQYADLAXGSIJP-PEBXRYMYSA-N 0 0 322.430 0.510 10 0 DCAERN Cc1cc(C)cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000369895960 416843923 /nfs/dbraw/zinc/84/39/23/416843923.db2.gz BCFINKHFVQIHDL-HNNXBMFYSA-N 0 0 317.389 0.785 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000615547353 416858022 /nfs/dbraw/zinc/85/80/22/416858022.db2.gz ZEXFZASGWNSJJI-CLPYTZEMSA-N 0 0 317.407 0.767 10 0 DCAERN CC(C)c1nnc2n1CCN(C(=O)COc1cnn(C)c1)C2 ZINC000520431713 416962251 /nfs/dbraw/zinc/96/22/51/416962251.db2.gz FOCQLHQPXRMJCU-UHFFFAOYSA-N 0 0 304.354 0.556 10 0 DCAERN CC=CC[C@H]1NC(=O)N(c2ccc(OCC(N)=O)cc2)C1=O ZINC000445893184 416900728 /nfs/dbraw/zinc/90/07/28/416900728.db2.gz IEOQAILQCBMLNP-QAVQXKDTSA-N 0 0 303.318 0.942 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)o1 ZINC000446047359 416910956 /nfs/dbraw/zinc/91/09/56/416910956.db2.gz PQQOIIAMAPMHDZ-SECBINFHSA-N 0 0 300.336 0.375 10 0 DCAERN CC(=O)c1ccc2c(c1)CCN(C(=O)C1CS(=O)(=O)C1)CC2 ZINC000632115552 416914443 /nfs/dbraw/zinc/91/44/43/416914443.db2.gz VXKQUSHLXVTIJX-UHFFFAOYSA-N 0 0 321.398 0.861 10 0 DCAERN CNc1nnc(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)s1 ZINC000372807581 416944208 /nfs/dbraw/zinc/94/42/08/416944208.db2.gz XHDWSIBAIQNTSE-UHFFFAOYSA-N 0 0 315.362 1.546 10 0 DCAERN C[C@H]1CN(C(=O)c2ncsc2Br)CC(=O)N1 ZINC000565216638 416946246 /nfs/dbraw/zinc/94/62/46/416946246.db2.gz XIOQDHLKGPLHCI-YFKPBYRVSA-N 0 0 304.169 0.866 10 0 DCAERN CC(=O)N(C)CC(=O)Nc1ccc(C(N)=O)c(OC(C)C)c1 ZINC000447689853 417018926 /nfs/dbraw/zinc/01/89/26/417018926.db2.gz UJJCWIABLHHVGT-UHFFFAOYSA-N 0 0 307.350 0.990 10 0 DCAERN CCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCNC1=O ZINC000565813067 417019383 /nfs/dbraw/zinc/01/93/83/417019383.db2.gz HOJGPUAVMNRXDE-NSHDSACASA-N 0 0 305.334 0.564 10 0 DCAERN Cc1c(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cnn1C ZINC000376138593 417019657 /nfs/dbraw/zinc/01/96/57/417019657.db2.gz CSQJALPOPWQICQ-LLVKDONJSA-N 0 0 300.366 1.121 10 0 DCAERN COC[C@H]1NC(=O)N([C@@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000521747267 417027358 /nfs/dbraw/zinc/02/73/58/417027358.db2.gz RWXWKICEIXLFBD-VXGBXAGGSA-N 0 0 303.318 0.359 10 0 DCAERN COCCO[C@@H]1C[C@@H](CO)CN([C@@H](C(=O)OC)C2CC2)C1 ZINC000447395260 416998540 /nfs/dbraw/zinc/99/85/40/416998540.db2.gz NLZGQOKGGMWLSG-MRVWCRGKSA-N 0 0 301.383 0.284 10 0 DCAERN C[C@@H]1CS(=O)(=O)CCN1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000375357840 417000298 /nfs/dbraw/zinc/00/02/98/417000298.db2.gz WFVZTUOOFYEMNI-KKOKHZNYSA-N 0 0 302.396 0.382 10 0 DCAERN O=C(NCc1nnc(C2CC2)s1)c1nc2n(n1)CCCN2 ZINC000616315308 417014121 /nfs/dbraw/zinc/01/41/21/417014121.db2.gz CQHFWHFWHPKKQX-UHFFFAOYSA-N 0 0 305.367 0.010 10 0 DCAERN Nc1ncn(CC(=O)NCCCCOCc2ccccc2)n1 ZINC000390556376 417100140 /nfs/dbraw/zinc/10/01/40/417100140.db2.gz QOQYKGMEWNVEGZ-UHFFFAOYSA-N 0 0 303.366 0.974 10 0 DCAERN CCO[C@@H]1C[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C12CCOCC2 ZINC000522024545 417043320 /nfs/dbraw/zinc/04/33/20/417043320.db2.gz QIWTVEMPJHSVNN-QWHCGFSZSA-N 0 0 324.421 0.945 10 0 DCAERN CC(=O)CCCCCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632416412 417073502 /nfs/dbraw/zinc/07/35/02/417073502.db2.gz SJBBZQBWVQTMKF-ZDUSSCGKSA-N 0 0 316.423 0.819 10 0 DCAERN CC(=O)N[C@H]1CCN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616594028 417084496 /nfs/dbraw/zinc/08/44/96/417084496.db2.gz BXRTZVIEDYXIGJ-GFCCVEGCSA-N 0 0 301.387 0.696 10 0 DCAERN Nc1ncccc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616637969 417085994 /nfs/dbraw/zinc/08/59/94/417085994.db2.gz DQTGAROXIJUIOG-CQSZACIVSA-N 0 0 318.402 0.999 10 0 DCAERN CC(C)(C)OC(=O)NCC[C@@H]1COCCCN1S(C)(=O)=O ZINC000616647192 417088341 /nfs/dbraw/zinc/08/83/41/417088341.db2.gz BJWONVOXDNMXFY-LLVKDONJSA-N 0 0 322.427 0.952 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCNC[C@@H]1c1ccncn1 ZINC000616639486 417088501 /nfs/dbraw/zinc/08/85/01/417088501.db2.gz OVYBYXWKWMHPFJ-CQSZACIVSA-N 0 0 304.375 0.812 10 0 DCAERN NS(=O)(=O)N1CCOC[C@H](c2ccc3ccncc3c2)C1 ZINC000616663193 417089098 /nfs/dbraw/zinc/08/90/98/417089098.db2.gz HVZRDSAHWFWQTP-CQSZACIVSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616659735 417089578 /nfs/dbraw/zinc/08/95/78/417089578.db2.gz OQHIBOWZJGKOSA-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616658608 417090905 /nfs/dbraw/zinc/09/09/05/417090905.db2.gz HJUBDZPQMMTKDN-CYBMUJFWSA-N 0 0 300.380 0.188 10 0 DCAERN NS(=O)(=O)N1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616652389 417091658 /nfs/dbraw/zinc/09/16/58/417091658.db2.gz WTUOPXMRFWSHQO-ZDUSSCGKSA-N 0 0 300.380 0.188 10 0 DCAERN C[C@H]1COCCN1CCNC(=O)c1ccnn1CC(F)(F)F ZINC000448905825 417109996 /nfs/dbraw/zinc/10/99/96/417109996.db2.gz CVKQKLAJWYSCTA-JTQLQIEISA-N 0 0 320.315 0.896 10 0 DCAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000404190269 417117768 /nfs/dbraw/zinc/11/77/68/417117768.db2.gz FFHZVWDEKGJQKH-JHJVBQTASA-N 0 0 306.428 0.340 10 0 DCAERN C[C@H](CO)N(CC1CCC1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000407977783 417129709 /nfs/dbraw/zinc/12/97/09/417129709.db2.gz YUWLRSQIEZONRX-FRRDWIJNSA-N 0 0 320.455 0.823 10 0 DCAERN CCc1nc(CCNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)no1 ZINC000525255285 417131784 /nfs/dbraw/zinc/13/17/84/417131784.db2.gz QUAQFONXMAAYDN-HNNXBMFYSA-N 0 0 321.381 0.486 10 0 DCAERN C[S@@](=O)c1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035811 287358297 /nfs/dbraw/zinc/35/82/97/287358297.db2.gz QSYMELBBFRKRST-OYHNWAKOSA-N 0 0 321.402 0.598 10 0 DCAERN C[S@](=O)c1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035592 287358394 /nfs/dbraw/zinc/35/83/94/287358394.db2.gz QSYMELBBFRKRST-NYHFZMIOSA-N 0 0 321.402 0.598 10 0 DCAERN CN1CCN(C(=O)CCc2nc3ccccc3oc2=O)CC1=O ZINC000525392141 417138623 /nfs/dbraw/zinc/13/86/23/417138623.db2.gz UHWJKUSNLLBIEX-UHFFFAOYSA-N 0 0 315.329 0.421 10 0 DCAERN CN(C)C(=O)C1(C(=O)N2CCOc3cc(O)ccc3C2)CC1 ZINC000408106405 417139305 /nfs/dbraw/zinc/13/93/05/417139305.db2.gz KOXMCQUBXHWXKW-UHFFFAOYSA-N 0 0 304.346 0.982 10 0 DCAERN CC(C)CN(C)S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000408130321 417142193 /nfs/dbraw/zinc/14/21/93/417142193.db2.gz BBSPDZBGIJVVMD-UHFFFAOYSA-N 0 0 305.444 0.619 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)CC1CCCC1 ZINC000408146860 417142413 /nfs/dbraw/zinc/14/24/13/417142413.db2.gz WEWYGJHNHQXRPS-LLVKDONJSA-N 0 0 310.441 0.259 10 0 DCAERN C[C@H]1[C@@H](C(=O)N2CCN(c3nc(N)ns3)CC2)C1(F)F ZINC000408233416 417149813 /nfs/dbraw/zinc/14/98/13/417149813.db2.gz UNRCKWBBAHHSIV-BQBZGAKWSA-N 0 0 303.338 0.670 10 0 DCAERN Cn1nncc1CN1CCCc2c(OCC(N)=O)cccc21 ZINC000449537921 417150553 /nfs/dbraw/zinc/15/05/53/417150553.db2.gz SOSZLAGKTNKZQA-UHFFFAOYSA-N 0 0 301.350 0.632 10 0 DCAERN CN(CC(=O)N1CCC[C@@]2(CCCOC2)C1)S(C)(=O)=O ZINC000408296588 417153611 /nfs/dbraw/zinc/15/36/11/417153611.db2.gz FBGCQBZHDWZOHU-CYBMUJFWSA-N 0 0 304.412 0.297 10 0 DCAERN CC(C)(C)OC(=O)[C@H]1CSCCN1C(=O)[C@@H]1COCCO1 ZINC000408302159 417154820 /nfs/dbraw/zinc/15/48/20/417154820.db2.gz DZSHWIMGVQYVNQ-MNOVXSKESA-N 0 0 317.407 0.688 10 0 DCAERN CC(C)[C@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)CCN1C ZINC000408359508 417156645 /nfs/dbraw/zinc/15/66/45/417156645.db2.gz UNYRLUYBXAUGPN-GFCCVEGCSA-N 0 0 304.456 0.998 10 0 DCAERN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCc1nnn(C)n1)CC2 ZINC000526030719 417176234 /nfs/dbraw/zinc/17/62/34/417176234.db2.gz CKOMMNUARLXJQF-SECBINFHSA-N 0 0 303.370 0.478 10 0 DCAERN COc1c(C(=O)Nc2ccc3c(c2)CCNC3=O)cnn1C ZINC000617268605 417192838 /nfs/dbraw/zinc/19/28/38/417192838.db2.gz JWFRLEOMOVFMDJ-UHFFFAOYSA-N 0 0 300.318 0.967 10 0 DCAERN O=C(CN1CCO[C@@H](COc2ccccc2)C1)N1CCOCC1 ZINC000568939328 417194634 /nfs/dbraw/zinc/19/46/34/417194634.db2.gz NBRUKKUWFVROJQ-MRXNPFEDSA-N 0 0 320.389 0.625 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000450432917 417229165 /nfs/dbraw/zinc/22/91/65/417229165.db2.gz IRNDQHXQEIDWFJ-INIZCTEOSA-N 0 0 308.353 0.810 10 0 DCAERN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC000620724367 417269228 /nfs/dbraw/zinc/26/92/28/417269228.db2.gz LABGBGOTRBDUEE-AWEZNQCLSA-N 0 0 314.393 0.351 10 0 DCAERN Cc1nn(C)cc1CC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000450798822 417270327 /nfs/dbraw/zinc/27/03/27/417270327.db2.gz SADRCHKUTZMJOL-CYBMUJFWSA-N 0 0 306.410 0.986 10 0 DCAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC(=O)N1 ZINC000408442666 297197738 /nfs/dbraw/zinc/19/77/38/297197738.db2.gz MJAUXVRAYXUHOM-IJLUTSLNSA-N 0 0 316.423 0.327 10 0 DCAERN CCOC(=O)[C@H]1CN(c2nccn(CC)c2=O)CC12COC2 ZINC000450557047 417239102 /nfs/dbraw/zinc/23/91/02/417239102.db2.gz BJDJKWBEHLGJSM-LLVKDONJSA-N 0 0 307.350 0.279 10 0 DCAERN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(C)CCCO ZINC000451495407 417354672 /nfs/dbraw/zinc/35/46/72/417354672.db2.gz AYXPHMVSSNHSTM-QMMMGPOBSA-N 0 0 321.317 0.515 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2ncnn2CC(C)C)CC12COC2 ZINC000451127647 417300336 /nfs/dbraw/zinc/30/03/36/417300336.db2.gz AMQHVWNQJIAHTL-CYBMUJFWSA-N 0 0 322.409 0.946 10 0 DCAERN CCOC(=O)[C@H]1CN(Cc2nnc3n2CCCC3)CC12COC2 ZINC000451139586 417306782 /nfs/dbraw/zinc/30/67/82/417306782.db2.gz SDZIDNGKOPSUPC-GFCCVEGCSA-N 0 0 320.393 0.626 10 0 DCAERN COc1cc2c(cc1OC)CN(CC(=O)NCCC(N)=O)CC2 ZINC000438558218 287373683 /nfs/dbraw/zinc/37/36/83/287373683.db2.gz HWKZNXXBVFAHHO-UHFFFAOYSA-N 0 0 321.377 0.054 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000633351345 417414201 /nfs/dbraw/zinc/41/42/01/417414201.db2.gz RHIGJLAHPXMZPU-OUAUKWLOSA-N 0 0 308.300 0.769 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000633423273 417426605 /nfs/dbraw/zinc/42/66/05/417426605.db2.gz YVSBGUYNKJJWHS-LLVKDONJSA-N 0 0 304.412 0.327 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc2c1CCNC2=O ZINC000633436191 417427618 /nfs/dbraw/zinc/42/76/18/417427618.db2.gz CHKLLJVCAKSPEN-CQSZACIVSA-N 0 0 301.346 0.922 10 0 DCAERN Cc1cc(C(=O)NCc2nnn(C)n2)c(C)n1[C@H]1CCOC1 ZINC000529203044 417427587 /nfs/dbraw/zinc/42/75/87/417427587.db2.gz LVQJEYSTFMDRAR-NSHDSACASA-N 0 0 304.354 0.520 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)[C@H]3CCCN3C(C)=O)[C@@H]2C1 ZINC000633113938 417368948 /nfs/dbraw/zinc/36/89/48/417368948.db2.gz SGKQVOIOGFCZGN-ZJIFWQFVSA-N 0 0 321.421 0.761 10 0 DCAERN CCOC(=O)[C@@H]1CN(C(=O)Cn2ccc(C)n2)CC12COC2 ZINC000452217223 417460228 /nfs/dbraw/zinc/46/02/28/417460228.db2.gz BYKYMSJOSVOUQS-LBPRGKRZSA-N 0 0 307.350 0.230 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2ccnn2C)CC12COC2 ZINC000452265245 417463480 /nfs/dbraw/zinc/46/34/80/417463480.db2.gz PYPGUXZKPNQYEV-GFCCVEGCSA-N 0 0 307.350 0.001 10 0 DCAERN CC(=O)N[C@@H](C(=O)NCCCc1ncnn1C)C1CCCC1 ZINC000627903430 417530862 /nfs/dbraw/zinc/53/08/62/417530862.db2.gz IXNYCOOEZYMBLX-CQSZACIVSA-N 0 0 307.398 0.559 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638682035 417535811 /nfs/dbraw/zinc/53/58/11/417535811.db2.gz RPSFMESQCVHTPS-KXUCPTDWSA-N 0 0 308.350 0.162 10 0 DCAERN CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)CC1=O ZINC000452963380 417512059 /nfs/dbraw/zinc/51/20/59/417512059.db2.gz WYNCZQHWNNEOAX-AAEUAGOBSA-N 0 0 303.362 0.542 10 0 DCAERN CCN1C[C@H](NC(=O)[C@H](C)NC(=O)c2ccccc2)CC1=O ZINC000452963382 417513563 /nfs/dbraw/zinc/51/35/63/417513563.db2.gz WYNCZQHWNNEOAX-WCQYABFASA-N 0 0 303.362 0.542 10 0 DCAERN CC(=O)OC[C@@H]1O[C@H](F)[C@@H](F)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000575125195 417514027 /nfs/dbraw/zinc/51/40/27/417514027.db2.gz OZIWIFNLCSFOGJ-SVNGYHJRSA-N 0 0 310.249 0.445 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000622913174 417518229 /nfs/dbraw/zinc/51/82/29/417518229.db2.gz NOACVQWWSUEDHA-HIFRSBDPSA-N 0 0 315.373 0.701 10 0 DCAERN CC1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000453603389 417523735 /nfs/dbraw/zinc/52/37/35/417523735.db2.gz KVGJQWWASRRHEK-YPMHNXCESA-N 0 0 317.345 0.765 10 0 DCAERN Cn1ccc(CNC(=O)NC[C@H](O)Cc2cccc(F)c2)n1 ZINC000454743535 417578277 /nfs/dbraw/zinc/57/82/77/417578277.db2.gz RPOJIWJJCYEMBC-CQSZACIVSA-N 0 0 306.341 0.962 10 0 DCAERN Cn1ncc(Br)c1CNC(=O)[C@H]1CC(F)(F)CN1 ZINC000638880124 417575345 /nfs/dbraw/zinc/57/53/45/417575345.db2.gz WGFYUWBGNYLMGG-SSDOTTSWSA-N 0 0 323.141 0.796 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C)C1 ZINC000454679253 417576285 /nfs/dbraw/zinc/57/62/85/417576285.db2.gz OANGMMHMQKLKLR-ZDUSSCGKSA-N 0 0 305.382 0.993 10 0 DCAERN COc1cc(Cl)ccc1S(=O)(=O)N1CCO[C@@H](CO)C1 ZINC000167699653 545878768 /nfs/dbraw/zinc/87/87/68/545878768.db2.gz NGSMHKKASZGQDH-SNVBAGLBSA-N 0 0 321.782 0.730 10 0 DCAERN CC(C)N1C(=O)CN(C(=O)NCCc2ncn(C)n2)CC1(C)C ZINC000531524876 417626324 /nfs/dbraw/zinc/62/63/24/417626324.db2.gz KQRJRKOLHMJWPQ-UHFFFAOYSA-N 0 0 322.413 0.398 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)n1 ZINC000456180146 417630350 /nfs/dbraw/zinc/63/03/50/417630350.db2.gz ALHMEXGBGVPREA-CYBMUJFWSA-N 0 0 313.423 0.926 10 0 DCAERN CC(=O)CCc1ccc(OCC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000628778477 417690741 /nfs/dbraw/zinc/69/07/41/417690741.db2.gz LPOHMKISEVNMER-HDJSIYSDSA-N 0 0 318.373 0.967 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCO)C[C@@H]2C)c1C ZINC000457134736 417691544 /nfs/dbraw/zinc/69/15/44/417691544.db2.gz UERYBOOAOJRBFP-JTQLQIEISA-N 0 0 307.394 0.973 10 0 DCAERN CC(C)(C)n1cnc(NC(=O)NC[C@H]2CCCS2(=O)=O)n1 ZINC000579363372 417692142 /nfs/dbraw/zinc/69/21/42/417692142.db2.gz POCLCRSWBONOGC-SECBINFHSA-N 0 0 315.399 0.732 10 0 DCAERN CC(=O)C(C)(C)CCC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000628584881 417657519 /nfs/dbraw/zinc/65/75/19/417657519.db2.gz YIFYVHXFURDKKK-ZDUSSCGKSA-N 0 0 311.426 0.838 10 0 DCAERN CC(=O)N(C)CC(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000456733099 417661647 /nfs/dbraw/zinc/66/16/47/417661647.db2.gz KYGJUBPGQSZWJN-JTQLQIEISA-N 0 0 309.332 0.807 10 0 DCAERN NC(=O)[C@@H]1CC[C@H](NC(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000456881804 417667706 /nfs/dbraw/zinc/66/77/06/417667706.db2.gz FWSWXIAZMBMEPA-OLZOCXBDSA-N 0 0 313.361 0.715 10 0 DCAERN CC[C@H](OC1CCCCC1)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458130881 417723769 /nfs/dbraw/zinc/72/37/69/417723769.db2.gz GAYCLRDWUJCYGD-OCCSQVGLSA-N 0 0 310.398 0.883 10 0 DCAERN CC(C)Cc1nc(C(=O)NC[C@H](O)Cn2ccnn2)cs1 ZINC000458154892 417725190 /nfs/dbraw/zinc/72/51/90/417725190.db2.gz ZUGFAMBBOUNHAM-JTQLQIEISA-N 0 0 309.395 0.724 10 0 DCAERN CN(CCCO)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000440934232 287412151 /nfs/dbraw/zinc/41/21/51/287412151.db2.gz FYHIIXSWAOIOQZ-UHFFFAOYSA-N 0 0 300.380 0.484 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NCc1ccc2oc(=O)n(C)c2c1 ZINC000629060942 417740505 /nfs/dbraw/zinc/74/05/05/417740505.db2.gz AILGLVSCFAIJDB-UHFFFAOYSA-N 0 0 305.334 0.662 10 0 DCAERN CC[C@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C)N1CCCC1=O ZINC000329554759 287474091 /nfs/dbraw/zinc/47/40/91/287474091.db2.gz GUWGHZGTYYZKFD-RBSFLKMASA-N 0 0 323.437 0.709 10 0 DCAERN CC(C)n1nnnc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182854262 545906552 /nfs/dbraw/zinc/90/65/52/545906552.db2.gz NTWOIPITBUQHBN-SNVBAGLBSA-N 0 0 324.410 0.752 10 0 DCAERN COc1nc(N[C@@H](C)[C@@H](C)OC)nc(N[C@@H](C)[C@@H](C)OC)n1 ZINC000467008238 287515266 /nfs/dbraw/zinc/51/52/66/287515266.db2.gz WXODZHUBZKRQGG-UKKRHICBSA-N 0 0 313.402 0.395 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC1CCC1 ZINC000487345900 287535451 /nfs/dbraw/zinc/53/54/51/287535451.db2.gz ZOVJTFXEARTPOR-NXEZZACHSA-N 0 0 320.411 0.162 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C)sn1 ZINC000487137264 287533067 /nfs/dbraw/zinc/53/30/67/287533067.db2.gz PQFJLPZHOKGQDU-IUCAKERBSA-N 0 0 313.379 0.638 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CC[S@@](=O)CC2(C)C)C1 ZINC000189189099 299848032 /nfs/dbraw/zinc/84/80/32/299848032.db2.gz OYSMNDFAOIHKDY-BBATYDOGSA-N 0 0 308.469 0.806 10 0 DCAERN Cc1cccn(CC(=O)N2CCC[C@H]2Cn2ccnn2)c1=O ZINC000299746330 229390143 /nfs/dbraw/zinc/39/01/43/229390143.db2.gz WRSPRZGBMHZRGE-ZDUSSCGKSA-N 0 0 301.350 0.439 10 0 DCAERN Cc1noc([C@H](C)N2CCN(C(=O)C3(O)CCCC3)CC2)n1 ZINC000111621403 261108548 /nfs/dbraw/zinc/10/85/48/261108548.db2.gz WAHHXTJJUNZNMS-NSHDSACASA-N 0 0 308.382 0.888 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000177159187 261110979 /nfs/dbraw/zinc/11/09/79/261110979.db2.gz ZZMVDIXLGSGEOY-GFCCVEGCSA-N 0 0 321.377 0.380 10 0 DCAERN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCOC1 ZINC000179152907 261111750 /nfs/dbraw/zinc/11/17/50/261111750.db2.gz ZHPXGTPOXXCDJW-UONOGXRCSA-N 0 0 305.378 0.774 10 0 DCAERN NC(=O)c1ccc(NC(=O)NCc2cccc(CO)c2)cn1 ZINC000179871276 261113572 /nfs/dbraw/zinc/11/35/72/261113572.db2.gz IXTFWFICFUXNKC-UHFFFAOYSA-N 0 0 300.318 0.995 10 0 DCAERN CCC1(CC)CN([C@@H](C)C(=O)NCC(=O)OC)CC[S@@]1=O ZINC000185235797 261119504 /nfs/dbraw/zinc/11/95/04/261119504.db2.gz ZXYUJLMMCQRFHK-MQJDWESPSA-N 0 0 318.439 0.287 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)NCC(F)(F)CO ZINC000185118702 261119625 /nfs/dbraw/zinc/11/96/25/261119625.db2.gz CCRYYLJBERRICV-UHFFFAOYSA-N 0 0 304.341 0.896 10 0 DCAERN C[C@@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CCOCC1 ZINC000192809174 261139599 /nfs/dbraw/zinc/13/95/99/261139599.db2.gz FULMIBFBQCZVSV-NSHDSACASA-N 0 0 306.366 0.628 10 0 DCAERN C[C@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CCOCC1 ZINC000192809190 261139808 /nfs/dbraw/zinc/13/98/08/261139808.db2.gz FULMIBFBQCZVSV-LLVKDONJSA-N 0 0 306.366 0.628 10 0 DCAERN Cn1nnc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000193008489 261140980 /nfs/dbraw/zinc/14/09/80/261140980.db2.gz ILKIHBHCHOWMKP-SDDRHHMPSA-N 0 0 322.413 0.945 10 0 DCAERN COc1cccc([C@@H](C)C(=O)NC[C@H](O)CN2CCOCC2)c1 ZINC000193498128 261142073 /nfs/dbraw/zinc/14/20/73/261142073.db2.gz YYQUSHFGMKTIKL-HIFRSBDPSA-N 0 0 322.405 0.608 10 0 DCAERN CNC(=O)c1ccc(S(=O)(=O)NCCCOC(F)F)cc1 ZINC000193968708 261143648 /nfs/dbraw/zinc/14/36/48/261143648.db2.gz NNDFIPYOIOBGPM-UHFFFAOYSA-N 0 0 322.333 0.954 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000195158197 261150529 /nfs/dbraw/zinc/15/05/29/261150529.db2.gz YEIGEENUTBMQJI-RISCZKNCSA-N 0 0 303.362 0.366 10 0 DCAERN CC(C)c1noc(CCCNC(=O)NCC(=O)NC2CC2)n1 ZINC000195094693 261150947 /nfs/dbraw/zinc/15/09/47/261150947.db2.gz BWVWTCLJRBSRMG-UHFFFAOYSA-N 0 0 309.370 0.703 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1O ZINC000221817873 261151822 /nfs/dbraw/zinc/15/18/22/261151822.db2.gz LCDQTZIXDUIPEQ-VHSXEESVSA-N 0 0 316.379 0.373 10 0 DCAERN C[C@H]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1O ZINC000221839899 261152322 /nfs/dbraw/zinc/15/23/22/261152322.db2.gz GFDQEOIMTVJJLC-GWCFXTLKSA-N 0 0 312.391 0.901 10 0 DCAERN C[C@H](O)C1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1 ZINC000228063244 261153100 /nfs/dbraw/zinc/15/31/00/261153100.db2.gz AYZXTGIJWLMQOK-QMMMGPOBSA-N 0 0 307.803 0.855 10 0 DCAERN C[C@@H]1CN(C(=O)c2csc(S(N)(=O)=O)c2)CCC1=O ZINC000276364695 261171139 /nfs/dbraw/zinc/17/11/39/261171139.db2.gz MLDWAJQFOONCOE-SSDOTTSWSA-N 0 0 302.377 0.447 10 0 DCAERN Cc1ccnc2nc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)nn21 ZINC000320047848 261177202 /nfs/dbraw/zinc/17/72/02/261177202.db2.gz VAJPQFGEJPDWDC-NSHDSACASA-N 0 0 315.255 0.572 10 0 DCAERN NS(=O)(=O)[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000357387754 261535480 /nfs/dbraw/zinc/53/54/80/261535480.db2.gz JGZXWKACFGCYID-NSHDSACASA-N 0 0 308.363 0.599 10 0 DCAERN C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccc2cc[nH]c2n1 ZINC000358140441 261639568 /nfs/dbraw/zinc/63/95/68/261639568.db2.gz LGZJDGYDGFKXKA-JOYOIKCWSA-N 0 0 301.350 0.887 10 0 DCAERN Cc1nccnc1N1CCN(C(=O)NCCc2cn[nH]c2)CC1 ZINC000358187456 261645522 /nfs/dbraw/zinc/64/55/22/261645522.db2.gz PTYHMKVEUVXOJI-UHFFFAOYSA-N 0 0 315.381 0.582 10 0 DCAERN CSCC[C@H](NC(=O)c1cccc2ncnn21)C(=O)N(C)C ZINC000360801208 261877416 /nfs/dbraw/zinc/87/74/16/261877416.db2.gz XPLAXHGMECBGNM-JTQLQIEISA-N 0 0 321.406 0.669 10 0 DCAERN CN(C)C(=O)CCNC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000361194723 261904884 /nfs/dbraw/zinc/90/48/84/261904884.db2.gz VHXFMJNTYLIDIH-GFCCVEGCSA-N 0 0 321.377 0.994 10 0 DCAERN CN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1nnnn1C ZINC000362292623 262019745 /nfs/dbraw/zinc/01/97/45/262019745.db2.gz YUUICDCBYDOKIT-UHFFFAOYSA-N 0 0 324.414 0.430 10 0 DCAERN COC(=O)[C@](C)(O)CNC(=O)c1cc(OC)c(OC)cc1C ZINC000362404440 262030658 /nfs/dbraw/zinc/03/06/58/262030658.db2.gz RYOSDKVEZSNRHQ-OAHLLOKOSA-N 0 0 311.334 0.666 10 0 DCAERN CC(=O)c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)nc1C ZINC000362416956 262032528 /nfs/dbraw/zinc/03/25/28/262032528.db2.gz IPDDLOCECGJAFH-GFCCVEGCSA-N 0 0 303.318 0.436 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccccn1 ZINC000362463235 262037544 /nfs/dbraw/zinc/03/75/44/262037544.db2.gz GJSDQMSYBUQTTB-VHSXEESVSA-N 0 0 308.338 0.659 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nnc(C)s1 ZINC000362469223 262038689 /nfs/dbraw/zinc/03/86/89/262038689.db2.gz WQAIDHYDBZCHJY-RQJHMYQMSA-N 0 0 314.367 0.033 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccnc1 ZINC000362466961 262038747 /nfs/dbraw/zinc/03/87/47/262038747.db2.gz RBKKZQIPHBKGJO-VHSXEESVSA-N 0 0 308.338 0.659 10 0 DCAERN COCC(C)(C)NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000362695711 262062351 /nfs/dbraw/zinc/06/23/51/262062351.db2.gz VDJBFGBMDILLGD-GFCCVEGCSA-N 0 0 313.398 0.491 10 0 DCAERN COC[C@@H](CCO)NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000362720921 262064777 /nfs/dbraw/zinc/06/47/77/262064777.db2.gz BRQFTQLYKMBOQB-OLZOCXBDSA-N 0 0 324.377 0.913 10 0 DCAERN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000363576352 262122032 /nfs/dbraw/zinc/12/20/32/262122032.db2.gz GOSOGDMEMKHWML-DEQVHRJGSA-N 0 0 307.394 0.370 10 0 DCAERN C[C@@H]1CCOCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000363801122 262131316 /nfs/dbraw/zinc/13/13/16/262131316.db2.gz AQOYHKZFCCTJSZ-CYBMUJFWSA-N 0 0 306.428 0.149 10 0 DCAERN C[C@@H]1CC[C@@H](CN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)O1 ZINC000367523791 262142333 /nfs/dbraw/zinc/14/23/33/262142333.db2.gz PIECTBIRNAULSK-KWCYVHTRSA-N 0 0 313.423 0.759 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NCCC2(CO)CC2)cc1 ZINC000395848044 262163533 /nfs/dbraw/zinc/16/35/33/262163533.db2.gz KESBSVFTFFXFEA-UHFFFAOYSA-N 0 0 313.375 0.914 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1Br ZINC000037846164 270934171 /nfs/dbraw/zinc/93/41/71/270934171.db2.gz XOCIIAOADKJNOB-XCBNKYQSSA-N 0 0 313.151 0.510 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1C ZINC000355858111 271027226 /nfs/dbraw/zinc/02/72/26/271027226.db2.gz NMYGRIYGMIMWRE-YNEHKIRRSA-N 0 0 318.439 0.874 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NC[C@H](CO)C2CC2)C1 ZINC000358781197 271072255 /nfs/dbraw/zinc/07/22/55/271072255.db2.gz OCOMIUQUVMDRBA-MCIONIFRSA-N 0 0 311.426 0.951 10 0 DCAERN COCC1(CNC(=O)c2c[nH]c(C(=O)OC)c2)CCOCC1 ZINC000358886581 271080033 /nfs/dbraw/zinc/08/00/33/271080033.db2.gz UFFYGQQVYGOQLY-UHFFFAOYSA-N 0 0 310.350 0.974 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@H](COC)OC)no1 ZINC000359035310 271092669 /nfs/dbraw/zinc/09/26/69/271092669.db2.gz VUPPJWUTQUDJHR-NXEZZACHSA-N 0 0 316.358 0.628 10 0 DCAERN C[C@H]([C@H](C)O)S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000361275299 271177051 /nfs/dbraw/zinc/17/70/51/271177051.db2.gz JVPIBMXRZBCTPV-DTWKUNHWSA-N 0 0 315.347 0.538 10 0 DCAERN O=C(N1CCC[C@H](OCCO)C1)C1(N2CCOCC2)CCC1 ZINC000363719052 271202500 /nfs/dbraw/zinc/20/25/00/271202500.db2.gz OGDFIMGYLNGQNV-AWEZNQCLSA-N 0 0 312.410 0.241 10 0 DCAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCOCC[C@@H]1C ZINC000363891034 271206914 /nfs/dbraw/zinc/20/69/14/271206914.db2.gz HOPFPHVONQMDIT-NSHDSACASA-N 0 0 307.350 0.270 10 0 DCAERN c1nc2c(ncnc2N[C@@H]2CCc3nnnn3CC2)n1C1CC1 ZINC000420641970 271375028 /nfs/dbraw/zinc/37/50/28/271375028.db2.gz NZGRFGABKGULNF-SECBINFHSA-N 0 0 311.353 0.965 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)N(C)CCCCCO)c1 ZINC000447648092 271795601 /nfs/dbraw/zinc/79/56/01/271795601.db2.gz HXXGYZOSZCOMOR-UHFFFAOYSA-N 0 0 314.407 0.829 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)N[C@@H]2CC[C@@H](OC)C2)CC1 ZINC000451449571 271899646 /nfs/dbraw/zinc/89/96/46/271899646.db2.gz HLAOHXJITDDAIY-GHMZBOCLSA-N 0 0 305.396 0.959 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Cc2cnn(C)c2)CC12COC2 ZINC000452264069 271912264 /nfs/dbraw/zinc/91/22/64/271912264.db2.gz NSNCGDRTWOXKEN-GFCCVEGCSA-N 0 0 307.350 0.001 10 0 DCAERN Cc1cc(C)c(OCC(=O)NC[C@@H](O)Cn2ccnn2)c(C)c1 ZINC000458138202 271943647 /nfs/dbraw/zinc/94/36/47/271943647.db2.gz ZXDBBFDIBMNZSW-CQSZACIVSA-N 0 0 318.377 0.759 10 0 DCAERN O=C(CCOc1ccccc1Cl)NC[C@H](O)Cn1ccnn1 ZINC000458152429 271944704 /nfs/dbraw/zinc/94/47/04/271944704.db2.gz XQBICKHXANTTCM-NSHDSACASA-N 0 0 324.768 0.878 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)N(C)CCO)C[C@H](c2ccccc2)O1 ZINC000459808986 272010721 /nfs/dbraw/zinc/01/07/21/272010721.db2.gz HFYYZXBBRAADQH-TZMCWYRMSA-N 0 0 306.362 0.426 10 0 DCAERN CCCN(CCC)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459835318 272014984 /nfs/dbraw/zinc/01/49/84/272014984.db2.gz PGHMQNBLVAOYEO-MRXNPFEDSA-N 0 0 309.410 0.764 10 0 DCAERN CC(C)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000459951610 272021421 /nfs/dbraw/zinc/02/14/21/272021421.db2.gz LYOSKYSZDCIVEF-SUMWQHHRSA-N 0 0 321.421 0.762 10 0 DCAERN CO[C@H](C)[C@@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000461267430 272025693 /nfs/dbraw/zinc/02/56/93/272025693.db2.gz CERXJMMSTGNLAI-TUVASFSCSA-N 0 0 324.421 0.967 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(F)(F)F ZINC000487148861 272039209 /nfs/dbraw/zinc/03/92/09/272039209.db2.gz FLPPDRPZNHQGTI-HTQZYQBOSA-N 0 0 312.288 0.901 10 0 DCAERN CC(=O)N[C@H](C(=O)NC[C@H](CO)c1cccnc1)C1CCCC1 ZINC000490393705 272073849 /nfs/dbraw/zinc/07/38/49/272073849.db2.gz KLKQZSOSDQSRIY-CVEARBPZSA-N 0 0 319.405 0.969 10 0 DCAERN COC(=O)C(C)(C)N1CCN(S(=O)(=O)CCCF)CC1 ZINC000492290923 272120897 /nfs/dbraw/zinc/12/08/97/272120897.db2.gz HGXPECHJTMZYCN-UHFFFAOYSA-N 0 0 310.391 0.245 10 0 DCAERN COCc1noc(CN2CCN(C(C)(C)C(=O)OC)CC2)n1 ZINC000494382549 272220433 /nfs/dbraw/zinc/22/04/33/272220433.db2.gz FIOZCJNWZIGQBA-UHFFFAOYSA-N 0 0 312.370 0.285 10 0 DCAERN COC(=O)C(C)(C)N1CCN(CCC(=O)OC(C)C)CC1 ZINC000494409042 272221417 /nfs/dbraw/zinc/22/14/17/272221417.db2.gz ZCSNQXRBYBPUIQ-UHFFFAOYSA-N 0 0 300.399 0.897 10 0 DCAERN CCOC(=O)c1csc(CCNC(=O)[C@](C)(O)COC)n1 ZINC000526063070 272590108 /nfs/dbraw/zinc/59/01/08/272590108.db2.gz PFXQNZVBSUDSGA-CYBMUJFWSA-N 0 0 316.379 0.376 10 0 DCAERN O=C(CNC(=O)c1ccc2nnnn2c1)NC1CCCCC1 ZINC000532327196 272784511 /nfs/dbraw/zinc/78/45/11/272784511.db2.gz AVHWYYMCMHMJJT-UHFFFAOYSA-N 0 0 302.338 0.303 10 0 DCAERN CC(=O)c1cn(Cc2cc(CO)ccc2F)c(=O)n(C)c1=O ZINC000530103332 287741776 /nfs/dbraw/zinc/74/17/76/287741776.db2.gz DGTYZCMUCFFFIK-UHFFFAOYSA-N 0 0 306.293 0.429 10 0 DCAERN COc1cccc(COCC(=O)N(C)Cc2nnnn2C)c1 ZINC000531557933 287781381 /nfs/dbraw/zinc/78/13/81/287781381.db2.gz FYBBASCIIVXRJY-UHFFFAOYSA-N 0 0 305.338 0.394 10 0 DCAERN O=C(NCCOC[C@H]1CCCO1)N1CCSC[C@@H]1CCO ZINC000538213805 287875768 /nfs/dbraw/zinc/87/57/68/287875768.db2.gz QSIKDWJVSALDJK-QWHCGFSZSA-N 0 0 318.439 0.691 10 0 DCAERN COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cn2cccnc2n1 ZINC000538699994 287882900 /nfs/dbraw/zinc/88/29/00/287882900.db2.gz ZTPXDRIJWLFTPW-ZYHUDNBSSA-N 0 0 318.333 0.522 10 0 DCAERN CCOCCN1CCN(C(=O)CCCCNC(N)=O)C[C@@H]1C ZINC000117275094 276318285 /nfs/dbraw/zinc/31/82/85/276318285.db2.gz CQZWSJCTQHLWHJ-ZDUSSCGKSA-N 0 0 314.430 0.394 10 0 DCAERN CNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171986606 277000975 /nfs/dbraw/zinc/00/09/75/277000975.db2.gz ZSZPHZATEMJAPJ-DOMZBBRYSA-N 0 0 303.362 0.458 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(C(N)=O)n1 ZINC000541961510 287934112 /nfs/dbraw/zinc/93/41/12/287934112.db2.gz DXYNVOZBLTWHHR-LBPRGKRZSA-N 0 0 305.334 0.737 10 0 DCAERN CC(C)(C)N1C[C@H](NC(=O)N2CCN(C3CC3)CC2)CC1=O ZINC000079077529 277162267 /nfs/dbraw/zinc/16/22/67/277162267.db2.gz CIWDQNLNRQPMET-GFCCVEGCSA-N 0 0 308.426 0.875 10 0 DCAERN CC(C)(C)N1C[C@@H](C(=O)N2CCN3CCOC[C@@H]3C2)CC1=O ZINC000544589785 287978648 /nfs/dbraw/zinc/97/86/48/287978648.db2.gz XUJJLHZDBXWYNM-STQMWFEESA-N 0 0 309.410 0.176 10 0 DCAERN Cc1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)c(=O)n(C)c1 ZINC000544607956 287978968 /nfs/dbraw/zinc/97/89/68/287978968.db2.gz IHXDUIVNTDBWJU-LBPRGKRZSA-N 0 0 306.366 0.242 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)c1 ZINC000372566633 277905201 /nfs/dbraw/zinc/90/52/01/277905201.db2.gz DUNZIJZNIKDMMB-SECBINFHSA-N 0 0 323.324 0.510 10 0 DCAERN CC(=O)N1CCC(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CC1 ZINC000341493062 277983338 /nfs/dbraw/zinc/98/33/38/277983338.db2.gz VIKCJRZABDHWAZ-ZIAGYGMSSA-N 0 0 324.425 0.731 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000330501887 278025344 /nfs/dbraw/zinc/02/53/44/278025344.db2.gz VSRCOJUOAUTEHL-LSDHHAIUSA-N 0 0 311.426 0.470 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000408058033 278031553 /nfs/dbraw/zinc/03/15/53/278031553.db2.gz DXHREJNBDRLJSR-CZUORRHYSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000408052368 278031840 /nfs/dbraw/zinc/03/18/40/278031840.db2.gz LHPUBWUEDCFFHS-HYVNUMGLSA-N 0 0 324.421 0.513 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000546025176 288012778 /nfs/dbraw/zinc/01/27/78/288012778.db2.gz FNXQLVPRBHUXDV-CHWSQXEVSA-N 0 0 314.407 0.745 10 0 DCAERN CCCCn1nnnc1CN1CCN(c2ccnc(C)n2)CC1 ZINC000546809675 288030941 /nfs/dbraw/zinc/03/09/41/288030941.db2.gz DZHCSDUSVQMKDC-UHFFFAOYSA-N 0 0 316.413 0.894 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCS1(=O)=O ZINC000172371521 278408010 /nfs/dbraw/zinc/40/80/10/278408010.db2.gz FPRDDWQDAIQCTR-AAEUAGOBSA-N 0 0 309.387 0.883 10 0 DCAERN COCCO[C@@H]1COCC[C@H]1NC(=O)c1cccc2ncnn21 ZINC000547603063 288061537 /nfs/dbraw/zinc/06/15/37/288061537.db2.gz LUUDESFYLVURHK-DGCLKSJQSA-N 0 0 320.349 0.280 10 0 DCAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000407960012 278675872 /nfs/dbraw/zinc/67/58/72/278675872.db2.gz UMSVEGYPPZYAHF-AWEZNQCLSA-N 0 0 321.421 0.857 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000547734182 288073891 /nfs/dbraw/zinc/07/38/91/288073891.db2.gz PRIBFEIESPYOAA-CYBMUJFWSA-N 0 0 302.330 0.832 10 0 DCAERN COCCOC1CN(C(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC000547797171 288080417 /nfs/dbraw/zinc/08/04/17/288080417.db2.gz BDKGOPKXLBPQNQ-LBPRGKRZSA-N 0 0 311.407 0.986 10 0 DCAERN O=C([C@@H](O)Cc1ccccc1Cl)N1CCN2CCOC[C@@H]2C1 ZINC000547810958 288081948 /nfs/dbraw/zinc/08/19/48/288081948.db2.gz ZYFIFPHSAMUVND-ZFWWWQNUSA-N 0 0 324.808 0.786 10 0 DCAERN CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000001569742 278997885 /nfs/dbraw/zinc/99/78/85/278997885.db2.gz HYIFFZAQXPUEAU-WDEREUQCSA-N 0 0 301.387 0.092 10 0 DCAERN CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)CC(F)(F)F ZINC000408445739 279012293 /nfs/dbraw/zinc/01/22/93/279012293.db2.gz ZKVHFZTVDANJCO-MRVPVSSYSA-N 0 0 302.318 0.725 10 0 DCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N[C@@H]1COc2ccccc2C1 ZINC000282132426 279026459 /nfs/dbraw/zinc/02/64/59/279026459.db2.gz HEABIYBVXIDFBK-DRZSPHRISA-N 0 0 303.362 0.956 10 0 DCAERN O=C(c1cccc2ncnn21)N1CCCN(C(=O)C2CC2)CC1 ZINC000548055230 288106717 /nfs/dbraw/zinc/10/67/17/288106717.db2.gz AVADUINPFMNPBC-UHFFFAOYSA-N 0 0 313.361 0.814 10 0 DCAERN CC(C)N(C(=O)[C@H](C)N1CC[C@@H](NS(C)(=O)=O)C1)C(C)C ZINC000247209449 279307151 /nfs/dbraw/zinc/30/71/51/279307151.db2.gz UNAOUBYNOWOZOX-QWHCGFSZSA-N 0 0 319.471 0.644 10 0 DCAERN Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c([C@H]2CCOC2)n1 ZINC000548341836 288133568 /nfs/dbraw/zinc/13/35/68/288133568.db2.gz PLTYNPUPRKBZMM-WDEREUQCSA-N 0 0 318.377 0.417 10 0 DCAERN Cn1c2cccc(F)c2nc1NC(=O)CN1CCOCC1=O ZINC000548389342 288138441 /nfs/dbraw/zinc/13/84/41/288138441.db2.gz PUPUSMRMXSCIQY-UHFFFAOYSA-N 0 0 306.297 0.510 10 0 DCAERN CC(C)NC(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 ZINC000408296854 279583980 /nfs/dbraw/zinc/58/39/80/279583980.db2.gz GRVZVVAHMLSNJA-LLVKDONJSA-N 0 0 300.384 0.310 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(CO)C1 ZINC000548465932 288146141 /nfs/dbraw/zinc/14/61/41/288146141.db2.gz IRZAOWIBBUVSPJ-UHFFFAOYSA-N 0 0 302.334 0.616 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)NC[C@](C)(O)COC)s1 ZINC000548630787 288161363 /nfs/dbraw/zinc/16/13/63/288161363.db2.gz DAZBIEJRADXTFS-ZDUSSCGKSA-N 0 0 315.395 0.466 10 0 DCAERN Cn1cc(OCC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cn1 ZINC000548829170 288180617 /nfs/dbraw/zinc/18/06/17/288180617.db2.gz UXCGEUZMMHHJKC-LBPRGKRZSA-N 0 0 321.358 0.444 10 0 DCAERN C1CC(c2nnc(N3CCN4CCOC[C@@H]4C3)s2)CCO1 ZINC000549553091 288199889 /nfs/dbraw/zinc/19/98/89/288199889.db2.gz RONQYNGPOZXNDH-LBPRGKRZSA-N 0 0 310.423 0.953 10 0 DCAERN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCC1(O)CCOCC1 ZINC000549589027 288200415 /nfs/dbraw/zinc/20/04/15/288200415.db2.gz FXYVHCGZPALXRC-GFCCVEGCSA-N 0 0 308.382 0.638 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CCO[C@]2(CCOC2)C1 ZINC000274480165 280147416 /nfs/dbraw/zinc/14/74/16/280147416.db2.gz RACQCVBWPVCDQG-GDBMZVCRSA-N 0 0 305.330 0.844 10 0 DCAERN CC(C)[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000407954817 280315026 /nfs/dbraw/zinc/31/50/26/280315026.db2.gz HTYYREVJBUXQOG-RFQIPJPRSA-N 0 0 312.410 0.800 10 0 DCAERN C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCc1ccn(C)n1 ZINC000551653340 288231856 /nfs/dbraw/zinc/23/18/56/288231856.db2.gz MNGUNWCGPKVXOT-JTQLQIEISA-N 0 0 306.391 0.845 10 0 DCAERN CN1CCOC[C@H]1C(=O)NCc1ccnc(OC(F)F)c1 ZINC000551873127 288239192 /nfs/dbraw/zinc/23/91/92/288239192.db2.gz KMJJHTKHOSSXQC-JTQLQIEISA-N 0 0 301.293 0.630 10 0 DCAERN Cc1cc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n2ncnc2n1 ZINC000267523276 280583468 /nfs/dbraw/zinc/58/34/68/280583468.db2.gz HCLNWXNEQXVLKR-YPMHNXCESA-N 0 0 302.382 0.590 10 0 DCAERN CCNC(=O)N1CC[C@H](Nc2nc(C)cc(C(=O)OC)n2)C1 ZINC000553147608 288288714 /nfs/dbraw/zinc/28/87/14/288288714.db2.gz HZSMCPVRNBQJAQ-JTQLQIEISA-N 0 0 307.354 0.787 10 0 DCAERN Cc1ccc2c(O)c(C(=O)N[C@H]3CCc4ncnn4C3)cnc2n1 ZINC000112725433 281049184 /nfs/dbraw/zinc/04/91/84/281049184.db2.gz VQIZBVRBFNEBSB-JTQLQIEISA-N 0 0 324.344 0.980 10 0 DCAERN CC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCN1C[C@@H](C)O ZINC000408317139 281171981 /nfs/dbraw/zinc/17/19/81/281171981.db2.gz VOKBLGBWSRNQSU-ZJUUUORDSA-N 0 0 318.361 0.656 10 0 DCAERN O=C(NC1CC1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000554219905 288315369 /nfs/dbraw/zinc/31/53/69/288315369.db2.gz HDWBTYNGSGZRMO-JTQLQIEISA-N 0 0 301.412 0.652 10 0 DCAERN CC(=O)N1CCC[C@H](CNC(=O)N2CC(=O)N(C)[C@H](C)C2)C1 ZINC000554521529 288325584 /nfs/dbraw/zinc/32/55/84/288325584.db2.gz DOTNAEHRPUOOMA-DGCLKSJQSA-N 0 0 310.398 0.117 10 0 DCAERN C[C@H](NC(=O)COc1cnn(C)c1)C(=O)N1CCCC[C@@H]1C ZINC000554567950 288329566 /nfs/dbraw/zinc/32/95/66/288329566.db2.gz HKTFGURUWKBJQW-RYUDHWBXSA-N 0 0 308.382 0.705 10 0 DCAERN Cc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1Cc1ccccc1 ZINC000555175942 288345205 /nfs/dbraw/zinc/34/52/05/288345205.db2.gz WGDHZEITCPRAQA-CQSZACIVSA-N 0 0 312.377 0.849 10 0 DCAERN Cn1cc(C[C@H](CO)CNC(=O)Cc2cccc(O)c2)cn1 ZINC000555543349 288354053 /nfs/dbraw/zinc/35/40/53/288354053.db2.gz WYDBRWWAZPPKJH-AWEZNQCLSA-N 0 0 303.362 0.636 10 0 DCAERN Cc1csc2c1ncnc2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000189985785 281745392 /nfs/dbraw/zinc/74/53/92/281745392.db2.gz NVWSEVGMXZHNRU-SECBINFHSA-N 0 0 317.374 0.147 10 0 DCAERN C[C@H](NC(=O)N[C@@H]1CCCc2nn(C)cc21)c1ncnn1C ZINC000558701824 288457330 /nfs/dbraw/zinc/45/73/30/288457330.db2.gz RUKSMUZZBXRSPU-GXSJLCMTSA-N 0 0 303.370 0.986 10 0 DCAERN CN(CC1(O)CCOCC1)C(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000558961071 288463417 /nfs/dbraw/zinc/46/34/17/288463417.db2.gz DAHYUHYXGDOZQV-ZDUSSCGKSA-N 0 0 322.409 0.980 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)N(C)Cc1nnnn1C ZINC000563858074 288708865 /nfs/dbraw/zinc/70/88/65/288708865.db2.gz PIPWJMREAUMQBS-UHFFFAOYSA-N 0 0 318.337 0.124 10 0 DCAERN CCOCc1nnc(N2CCC[C@]3(CNC(=O)C3)C2)n1CC ZINC000565128948 288819021 /nfs/dbraw/zinc/81/90/21/288819021.db2.gz OYOBUUASXPQDCG-HNNXBMFYSA-N 0 0 307.398 0.941 10 0 DCAERN CN1C(=O)C[C@H](NC(=O)c2ncsc2Br)C1=O ZINC000565203795 288830241 /nfs/dbraw/zinc/83/02/41/288830241.db2.gz KZCDPTWITZWLNW-BYPYZUCNSA-N 0 0 318.152 0.393 10 0 DCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329567038 289047062 /nfs/dbraw/zinc/04/70/62/289047062.db2.gz LASJHBICZDHRIW-LALPHHSUSA-N 0 0 319.409 0.231 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408187902 289229829 /nfs/dbraw/zinc/22/98/29/289229829.db2.gz QOODNGXRHNHZLN-DGCLKSJQSA-N 0 0 304.412 0.031 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)CC1=O ZINC000408306062 290123750 /nfs/dbraw/zinc/12/37/50/290123750.db2.gz OUPBITIDFJDZSV-BXKDBHETSA-N 0 0 308.300 0.771 10 0 DCAERN C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCC(F)(F)F ZINC000378480907 290325423 /nfs/dbraw/zinc/32/54/23/290325423.db2.gz HSWCUHAWFVTCBY-QMMMGPOBSA-N 0 0 302.318 0.869 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246242047 290561196 /nfs/dbraw/zinc/56/11/96/290561196.db2.gz GHBZCXYXZOSRJM-YVECIDJPSA-N 0 0 307.394 0.864 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000330101193 297052525 /nfs/dbraw/zinc/05/25/25/297052525.db2.gz FHXTVYBWFQOJSK-NQBHXWOUSA-N 0 0 304.412 0.451 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3OCCC[C@H]3C2)C[C@H](C)O1 ZINC000247329721 297054126 /nfs/dbraw/zinc/05/41/26/297054126.db2.gz GVFVSOVKDNBCSW-CRWXNKLISA-N 0 0 318.439 0.841 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N2CC[S@](=O)CC[C@H]2C)C[C@H](C)O1 ZINC000330351431 297054906 /nfs/dbraw/zinc/05/49/06/297054906.db2.gz MFLPXQQRWLHPCC-PFGCOLFTSA-N 0 0 324.468 0.183 10 0 DCAERN Cn1cc([C@@H]2CNCCN2C(=O)c2ccc3nccn3c2)cn1 ZINC000181397748 294282925 /nfs/dbraw/zinc/28/29/25/294282925.db2.gz WBYCTEUEAAZDRM-AWEZNQCLSA-N 0 0 310.361 0.855 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccnc(OC2CCC2)c1 ZINC000367546107 295159352 /nfs/dbraw/zinc/15/93/52/295159352.db2.gz CHMVLPKVHREJBJ-GFCCVEGCSA-N 0 0 305.334 0.339 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000156960247 295177574 /nfs/dbraw/zinc/17/75/74/295177574.db2.gz MPBZZCMKMWRZMB-LLVKDONJSA-N 0 0 303.240 0.320 10 0 DCAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000056100498 297361319 /nfs/dbraw/zinc/36/13/19/297361319.db2.gz OPLIGEKHFTVVEH-QNWHQSFQSA-N 0 0 317.455 0.795 10 0 DCAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000408450081 297971059 /nfs/dbraw/zinc/97/10/59/297971059.db2.gz INCQGQHUERVMFE-WOPDTQHZSA-N 0 0 320.455 0.522 10 0 DCAERN C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](O)[C@H](O)C1 ZINC000408440582 298072865 /nfs/dbraw/zinc/07/28/65/298072865.db2.gz DHRPOYBDEYZVSC-RAIGVLPGSA-N 0 0 308.403 0.551 10 0 DCAERN C[C@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CCC1=O ZINC000186602228 300172795 /nfs/dbraw/zinc/17/27/95/300172795.db2.gz OIHPCHUNNIURKG-ONGXEEELSA-N 0 0 304.412 0.388 10 0 DCAERN C[C@H]1OCCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1C(N)=O ZINC000408048059 300598591 /nfs/dbraw/zinc/59/85/91/300598591.db2.gz UXWPXCWJQMDVRJ-HOSILWTGSA-N 0 0 323.437 0.742 10 0 DCAERN Cc1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cnn1 ZINC000276221287 301118148 /nfs/dbraw/zinc/11/81/48/301118148.db2.gz MUENEYMXHZCFCI-LBPRGKRZSA-N 0 0 306.391 0.921 10 0 DCAERN Cc1ccn(C)c1C(=O)N1CCN([C@H]2CCCCNC2=O)CC1 ZINC000376292278 302252835 /nfs/dbraw/zinc/25/28/35/302252835.db2.gz ZHJJNZFZQUNNSK-AWEZNQCLSA-N 0 0 318.421 0.760 10 0 DCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@@]2(O)CCSC2)CCN1C ZINC000276716600 303007415 /nfs/dbraw/zinc/00/74/15/303007415.db2.gz PYICSSYRTBAISW-BXUZGUMPSA-N 0 0 310.423 0.103 10 0 DCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000408023565 303100609 /nfs/dbraw/zinc/10/06/09/303100609.db2.gz SGZLVXHSUOAOLL-NEPJUHHUSA-N 0 0 323.397 0.856 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331033941 303232487 /nfs/dbraw/zinc/23/24/87/303232487.db2.gz KGPDHAGHKKFSQS-LLVKDONJSA-N 0 0 318.255 0.889 10 0 DCAERN NC(=O)[C@@H]1CSCCN1C(=O)c1cc2c(cn1)OCCC2 ZINC000373304975 303310313 /nfs/dbraw/zinc/31/03/13/303310313.db2.gz SWSGKGFXQAZAMB-NSHDSACASA-N 0 0 307.375 0.450 10 0 DCAERN NC(=O)[C@H]1C[C@H](F)CN1C(=O)c1cc2nccnc2cc1F ZINC000347226680 303336443 /nfs/dbraw/zinc/33/64/43/303336443.db2.gz AKLHLAQGBNGFNL-JVXZTZIISA-N 0 0 306.272 0.807 10 0 DCAERN O=C(CN1CCCC1=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159041652 303604586 /nfs/dbraw/zinc/60/45/86/303604586.db2.gz ISBYWDGYXRQZJA-CHWSQXEVSA-N 0 0 322.361 0.553 10 0 DCAERN O=C(CN1CCOCC1=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000373051691 303615865 /nfs/dbraw/zinc/61/58/65/303615865.db2.gz LLAYECMCDPCJTG-STQMWFEESA-N 0 0 308.378 0.596 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000332786215 332870647 /nfs/dbraw/zinc/87/06/47/332870647.db2.gz SWJHERTUAFVGPH-GRYCIOLGSA-N 0 0 306.370 0.119 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000332902125 332901155 /nfs/dbraw/zinc/90/11/55/332901155.db2.gz RTQCOSZRBQRYLJ-QWRGUYRKSA-N 0 0 313.423 0.423 10 0 DCAERN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccn(C(C)C)n2)C1 ZINC000580111047 332944508 /nfs/dbraw/zinc/94/45/08/332944508.db2.gz OEJIKDWKGFMIFG-YPMHNXCESA-N 0 0 308.382 0.764 10 0 DCAERN CO[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@H]1C ZINC000187684829 332982545 /nfs/dbraw/zinc/98/25/45/332982545.db2.gz QQQORLFNSUDTNN-DGCLKSJQSA-N 0 0 318.439 0.878 10 0 DCAERN CC1(C)CN(C(=O)CCNS(C)(=O)=O)CC2(CCCC2)O1 ZINC000189382273 333080449 /nfs/dbraw/zinc/08/04/49/333080449.db2.gz NHBABHNQOMJHPJ-UHFFFAOYSA-N 0 0 318.439 0.876 10 0 DCAERN CN(C(=O)Nc1ccc2ccc(=O)n(C)c2c1)[C@@H]1CCNC1=O ZINC000582038493 333179701 /nfs/dbraw/zinc/17/97/01/333179701.db2.gz GYMJDQKVGDXEEI-GFCCVEGCSA-N 0 0 314.345 0.891 10 0 DCAERN CN(Cc1cc(-c2cnn(C)c2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000184975980 333203266 /nfs/dbraw/zinc/20/32/66/333203266.db2.gz CSZPEUXYDPDEBB-NSHDSACASA-N 0 0 310.379 0.694 10 0 DCAERN CC(C)CN1CCO[C@H](CNS(=O)(=O)[C@H]2CCO[C@H]2C)C1 ZINC000189987478 336258365 /nfs/dbraw/zinc/25/83/65/336258365.db2.gz UKGAHKDEDRSSAE-MJBXVCDLSA-N 0 0 320.455 0.440 10 0 DCAERN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3nccn3c2)[C@H]1C ZINC000582539832 337106694 /nfs/dbraw/zinc/10/66/94/337106694.db2.gz FIYXXMAUYHCASU-WDEREUQCSA-N 0 0 302.334 0.909 10 0 DCAERN Cc1cc(CCNC(=O)NCc2ccnc(N(C)C)n2)on1 ZINC000582683655 337122872 /nfs/dbraw/zinc/12/28/72/337122872.db2.gz CNYQQALKNIMDFD-UHFFFAOYSA-N 0 0 304.354 0.881 10 0 DCAERN C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000584444728 337326278 /nfs/dbraw/zinc/32/62/78/337326278.db2.gz QLTRCYIJCFNYSL-JDGPPOGSSA-N 0 0 302.334 0.716 10 0 DCAERN Cc1cnc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1 ZINC000584596988 337374328 /nfs/dbraw/zinc/37/43/28/337374328.db2.gz RWSYREXACTWOFP-UHFFFAOYSA-N 0 0 317.334 0.280 10 0 DCAERN Cn1cnc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccccn3)C2)c1 ZINC000584633643 337377533 /nfs/dbraw/zinc/37/75/33/337377533.db2.gz FBVFKXHQVVHSQR-NEPJUHHUSA-N 0 0 322.390 0.212 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000332967468 337671687 /nfs/dbraw/zinc/67/16/87/337671687.db2.gz GNUXDJSZTCZGGC-SDDRHHMPSA-N 0 0 316.423 0.059 10 0 DCAERN COCCN(C(=O)NCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000193549622 338033514 /nfs/dbraw/zinc/03/35/14/338033514.db2.gz GCOPCFZLMSZGQP-NSHDSACASA-N 0 0 306.428 0.878 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Nc1cc(F)ccc1O)c2=O ZINC000174870739 341832662 /nfs/dbraw/zinc/83/26/62/341832662.db2.gz FCUBJNQIFSAZEC-UHFFFAOYSA-N 0 0 317.280 0.613 10 0 DCAERN CC(=O)c1nc(N2CC[C@H](NS(C)(=O)=O)C2)sc1C ZINC000576579003 341853202 /nfs/dbraw/zinc/85/32/02/341853202.db2.gz WEDIUBJFCORBGT-VIFPVBQESA-N 0 0 303.409 0.782 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000576969988 341872737 /nfs/dbraw/zinc/87/27/37/341872737.db2.gz JZYZMHWOZCOCKW-GRYCIOLGSA-N 0 0 304.412 0.678 10 0 DCAERN C[C@@](O)(Cn1ccccc1=O)C(=O)NCCOCC1CCC1 ZINC000577797685 341937340 /nfs/dbraw/zinc/93/73/40/341937340.db2.gz YYCMOBMUWFGOJR-MRXNPFEDSA-N 0 0 308.378 0.532 10 0 DCAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)[nH]c2c1C(=O)CCC2 ZINC000299444997 533790022 /nfs/dbraw/zinc/79/00/22/533790022.db2.gz YFIFSGRSUYFJHW-LLVKDONJSA-N 0 0 305.378 0.903 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCN1CCO ZINC000188732514 533970394 /nfs/dbraw/zinc/97/03/94/533970394.db2.gz SJUYRINKGOGGLA-ZDUSSCGKSA-N 0 0 324.446 0.862 10 0 DCAERN C[C@@H]1OCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H]1C ZINC000166973237 534162162 /nfs/dbraw/zinc/16/21/62/534162162.db2.gz QXNIDIUZTHITRL-QWRGUYRKSA-N 0 0 317.345 0.326 10 0 DCAERN COc1ccc(O)cc1C(=O)NCC(=O)NCC(F)(F)F ZINC000188443073 534210260 /nfs/dbraw/zinc/21/02/60/534210260.db2.gz QLPUDPDWMVGRQO-UHFFFAOYSA-N 0 0 306.240 0.809 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000128108313 534215822 /nfs/dbraw/zinc/21/58/22/534215822.db2.gz WBCKRIBBCDAFKG-ZJUUUORDSA-N 0 0 322.390 0.837 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc1C ZINC000189304228 534263986 /nfs/dbraw/zinc/26/39/86/534263986.db2.gz XWQNPDQVPLONAX-UONOGXRCSA-N 0 0 322.405 0.623 10 0 DCAERN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000266712833 518677719 /nfs/dbraw/zinc/67/77/19/518677719.db2.gz CXVQEVKXPRTMHN-DOMZBBRYSA-N 0 0 316.361 0.019 10 0 DCAERN CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000188475368 519482489 /nfs/dbraw/zinc/48/24/89/519482489.db2.gz RYZMSVLTZUJZEX-CQSZACIVSA-N 0 0 317.393 0.382 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000365108404 519636363 /nfs/dbraw/zinc/63/63/63/519636363.db2.gz BZOTUPPXEFXWAQ-MVWJERBFSA-N 0 0 324.402 0.807 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 ZINC000190512735 519648482 /nfs/dbraw/zinc/64/84/82/519648482.db2.gz FNDPVYJMFNLWSG-CQSZACIVSA-N 0 0 315.373 0.382 10 0 DCAERN CC(=O)NC1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000191492932 519648876 /nfs/dbraw/zinc/64/88/76/519648876.db2.gz HMAJLTFGKVDDPY-UHFFFAOYSA-N 0 0 303.293 0.628 10 0 DCAERN CC(=O)NC1CN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)C1 ZINC000190463448 519649122 /nfs/dbraw/zinc/64/91/22/519649122.db2.gz MDNBBJGGQXJCIJ-MRXNPFEDSA-N 0 0 302.330 0.505 10 0 DCAERN CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000129131723 519650828 /nfs/dbraw/zinc/65/08/28/519650828.db2.gz RYIFTDRWPCPFPM-CYBMUJFWSA-N 0 0 321.377 0.894 10 0 DCAERN CC(C)[C@@H](O)CC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000158282682 519800296 /nfs/dbraw/zinc/80/02/96/519800296.db2.gz CREJRYYUYZJARO-ZDUSSCGKSA-N 0 0 320.393 0.236 10 0 DCAERN CC(C)[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000195293199 519823676 /nfs/dbraw/zinc/82/36/76/519823676.db2.gz TZCCJLDCFSENMG-CYBMUJFWSA-N 0 0 314.407 0.684 10 0 DCAERN CCN(C(=O)c1coc(Br)c1)[C@H]1CC(=O)NC1=O ZINC000162615330 520122680 /nfs/dbraw/zinc/12/26/80/520122680.db2.gz UXPKMLXUJNOMTK-ZETCQYMHSA-N 0 0 315.123 0.919 10 0 DCAERN CCN(C)S(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000126823848 520261192 /nfs/dbraw/zinc/26/11/92/520261192.db2.gz FMIWWONXBWRNAV-RYUDHWBXSA-N 0 0 318.395 0.600 10 0 DCAERN CCCCCS(=O)(=O)CC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189463591 520261243 /nfs/dbraw/zinc/26/12/43/520261243.db2.gz RGKHZSNSPFXMQV-UHFFFAOYSA-N 0 0 316.423 0.328 10 0 DCAERN CCCCN(C)S(=O)(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189175021 520423439 /nfs/dbraw/zinc/42/34/39/520423439.db2.gz KDVNQJPZDRAICD-UHFFFAOYSA-N 0 0 315.443 0.817 10 0 DCAERN CCN(CC(N)=O)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000188500514 520438006 /nfs/dbraw/zinc/43/80/06/520438006.db2.gz OQQMPUWOSVXOPH-UHFFFAOYSA-N 0 0 311.285 0.596 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)NCC2(CCO)CC2)c1 ZINC000186809542 534493162 /nfs/dbraw/zinc/49/31/62/534493162.db2.gz GRSXUYKCPPGILV-UHFFFAOYSA-N 0 0 305.378 0.790 10 0 DCAERN CCCS(=O)(=O)CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156770126 520506884 /nfs/dbraw/zinc/50/68/84/520506884.db2.gz ZBZGHTONCXDAEG-VIFPVBQESA-N 0 0 303.302 0.337 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCO1 ZINC000247495308 520543605 /nfs/dbraw/zinc/54/36/05/520543605.db2.gz MKUBYFBYVKYZOD-CHWSQXEVSA-N 0 0 318.439 0.828 10 0 DCAERN CC1(C)[C@H](O)C[C@@H]1NC(=O)NCCNC(=O)c1ccccc1 ZINC000190129873 520678340 /nfs/dbraw/zinc/67/83/40/520678340.db2.gz QBIBSAQBPUUNST-QWHCGFSZSA-N 0 0 305.378 0.875 10 0 DCAERN CCCCOCCNC(=O)CN1CCC(n2cncn2)CC1 ZINC000156649817 520765406 /nfs/dbraw/zinc/76/54/06/520765406.db2.gz ZUTUNMVXLKQELP-UHFFFAOYSA-N 0 0 309.414 0.848 10 0 DCAERN CCOC(=O)c1nn(C)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000186423784 521603011 /nfs/dbraw/zinc/60/30/11/521603011.db2.gz ZWJBQJATYIQZPE-OAHLLOKOSA-N 0 0 309.366 0.588 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)NCc1nnc(C2CCC2)n1C ZINC000364948482 521702602 /nfs/dbraw/zinc/70/26/02/521702602.db2.gz YDOZJUAACIOOFB-GFCCVEGCSA-N 0 0 307.398 0.420 10 0 DCAERN COCCS(=O)(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181733325 521767011 /nfs/dbraw/zinc/76/70/11/521767011.db2.gz MTSCMGFAZKJMOI-JTQLQIEISA-N 0 0 302.400 0.282 10 0 DCAERN COc1cc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)on1 ZINC000157951949 522144799 /nfs/dbraw/zinc/14/47/99/522144799.db2.gz PDBVBPXBRUAAKG-JTQLQIEISA-N 0 0 303.322 0.872 10 0 DCAERN CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](OC)C2)CC1 ZINC000372716626 522170069 /nfs/dbraw/zinc/17/00/69/522170069.db2.gz OMJRPILSMHZBIF-WDEREUQCSA-N 0 0 319.427 0.277 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](OC)C2)cn1 ZINC000191307156 522560072 /nfs/dbraw/zinc/56/00/72/522560072.db2.gz WTTHVXBSHAIOSW-ZYHUDNBSSA-N 0 0 306.366 0.861 10 0 DCAERN CN(CC1(CO)CC1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000189142099 522594354 /nfs/dbraw/zinc/59/43/54/522594354.db2.gz PFHZWGLUNILZSM-UHFFFAOYSA-N 0 0 302.330 0.514 10 0 DCAERN CC[C@H](N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C(=O)OC ZINC000192854217 522750623 /nfs/dbraw/zinc/75/06/23/522750623.db2.gz MKTCKXBERGWUAT-RYUDHWBXSA-N 0 0 308.382 0.765 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCCOc2ccccc2)C1 ZINC000185213437 522754903 /nfs/dbraw/zinc/75/49/03/522754903.db2.gz CPDWUEPIZHIVGJ-UHFFFAOYSA-N 0 0 306.362 0.819 10 0 DCAERN COCC(=O)NC1CN(C(=O)CCC(=O)c2ccc(C)s2)C1 ZINC000185249069 522756110 /nfs/dbraw/zinc/75/61/10/522756110.db2.gz OEHUERFNHBSTNP-UHFFFAOYSA-N 0 0 324.402 0.993 10 0 DCAERN CCc1nnc2sc(SCC(=O)n3ccnc3)nn2c1=O ZINC000073711611 522806821 /nfs/dbraw/zinc/80/68/21/522806821.db2.gz KJQCEJSMMGWQMN-UHFFFAOYSA-N 0 0 322.375 0.737 10 0 DCAERN COc1cc(S(=O)(=O)N[C@H](C)c2nc[nH]n2)ccc1F ZINC000190817738 522896324 /nfs/dbraw/zinc/89/63/24/522896324.db2.gz KCUKWEHRMKZWIY-SSDOTTSWSA-N 0 0 300.315 0.992 10 0 DCAERN COc1cc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)ccc1F ZINC000190857426 522898563 /nfs/dbraw/zinc/89/85/63/522898563.db2.gz IVRURJWPFJLRAL-NTCNTBNZSA-N 0 0 309.384 0.880 10 0 DCAERN COCc1cc(N[C@H](C)[C@@H]2CN(C)CCO2)n2ncnc2n1 ZINC000154807745 522934208 /nfs/dbraw/zinc/93/42/08/522934208.db2.gz VRYVUEAMWBMFQK-PWSUYJOCSA-N 0 0 306.370 0.402 10 0 DCAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)CN1CCCC1=O ZINC000176563703 523021450 /nfs/dbraw/zinc/02/14/50/523021450.db2.gz KCTOAZZSKUXYSF-OAHLLOKOSA-N 0 0 320.389 0.645 10 0 DCAERN COCCCCS(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000133891181 523184621 /nfs/dbraw/zinc/18/46/21/523184621.db2.gz GFFVSBRQXWYEFW-LLVKDONJSA-N 0 0 318.395 0.630 10 0 DCAERN CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 ZINC000366044663 523242455 /nfs/dbraw/zinc/24/24/55/523242455.db2.gz AIKXBXKNAXPFCI-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n[n-]1 ZINC000246454332 523381705 /nfs/dbraw/zinc/38/17/05/523381705.db2.gz BZZVYDAFUUTJDC-BBBLOLIVSA-N 0 0 307.354 0.379 10 0 DCAERN CCn1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](OC)C2)ccc1=O ZINC000191301551 523404401 /nfs/dbraw/zinc/40/44/01/523404401.db2.gz YFRNXCWYGXETPE-AAEUAGOBSA-N 0 0 321.377 0.690 10 0 DCAERN CC[C@@H]1CN(C(=O)c2ccn(CCOC)n2)CCN1CCOC ZINC000189826935 523428084 /nfs/dbraw/zinc/42/80/84/523428084.db2.gz DVQATBGCZKBCOQ-CQSZACIVSA-N 0 0 324.425 0.712 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NC[C@H](O)C(C)(C)C ZINC000324477832 523700595 /nfs/dbraw/zinc/70/05/95/523700595.db2.gz IGJGAUZYSIOGDY-VWYCJHECSA-N 0 0 307.412 0.655 10 0 DCAERN CO[C@@H]1CN(C(=O)C(=O)Nc2cn(C)c(=O)cc2C)CC[C@H]1C ZINC000191300616 523729567 /nfs/dbraw/zinc/72/95/67/523729567.db2.gz FPQFVYPTPJMHER-ZWNOBZJWSA-N 0 0 321.377 0.516 10 0 DCAERN CCc1cc(=O)n2nc(N[C@@H](C)[C@@H]3CN(C)CCO3)sc2n1 ZINC000154811137 523742993 /nfs/dbraw/zinc/74/29/93/523742993.db2.gz LVVKNCJVMOZLBX-ONGXEEELSA-N 0 0 323.422 0.844 10 0 DCAERN CCc1cc(N2CCC[C@H](NC(=O)N3CC(CO)C3)C2)ncn1 ZINC000188890779 523792584 /nfs/dbraw/zinc/79/25/84/523792584.db2.gz QELMOKNCRRUSLF-AWEZNQCLSA-N 0 0 319.409 0.642 10 0 DCAERN COCCN1CCN(C(=O)c2cnn3c2CCCC3)CC1=O ZINC000120641923 523854139 /nfs/dbraw/zinc/85/41/39/523854139.db2.gz AXHJWDSVKVLSSG-UHFFFAOYSA-N 0 0 306.366 0.150 10 0 DCAERN CN(C(=O)[C@]1(O)CCSC1)C1CCN(c2cnccn2)CC1 ZINC000364801298 523914876 /nfs/dbraw/zinc/91/48/76/523914876.db2.gz CNABIDYGKGIZHW-HNNXBMFYSA-N 0 0 322.434 0.772 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NC[C@@](C)(O)c2ccsc2)C1 ZINC000126688152 523939164 /nfs/dbraw/zinc/93/91/64/523939164.db2.gz MIMROCVTOBZRQN-GXTWGEPZSA-N 0 0 313.423 0.585 10 0 DCAERN CN1CCO[C@H](CNC(=O)NC[C@](C)(O)c2ccsc2)C1 ZINC000126687967 523948849 /nfs/dbraw/zinc/94/88/49/523948849.db2.gz MIMROCVTOBZRQN-OCCSQVGLSA-N 0 0 313.423 0.585 10 0 DCAERN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000246110801 523984366 /nfs/dbraw/zinc/98/43/66/523984366.db2.gz JSAOUMPONZQTKV-AXFHLTTASA-N 0 0 308.386 0.715 10 0 DCAERN CO[C@H]1CN(C(=O)C(=O)Nc2c(C)ccn(C)c2=O)CC[C@H]1C ZINC000191300167 524005053 /nfs/dbraw/zinc/00/50/53/524005053.db2.gz NEWAVNLOQWHDGB-PWSUYJOCSA-N 0 0 321.377 0.516 10 0 DCAERN CCc1ccc([C@@H](C)NC(=O)C(=O)NCC(=O)N(C)C)cc1 ZINC000124417298 524021455 /nfs/dbraw/zinc/02/14/55/524021455.db2.gz IWYYTJDCNIQIDK-LLVKDONJSA-N 0 0 305.378 0.631 10 0 DCAERN 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320.393 0.325 10 0 DCAERN C[C@]1(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCCO1 ZINC000154309470 525193852 /nfs/dbraw/zinc/19/38/52/525193852.db2.gz CQODIKVKXPYSEI-MRXNPFEDSA-N 0 0 303.362 0.935 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000128030855 525327853 /nfs/dbraw/zinc/32/78/53/525327853.db2.gz YYICOVXJOVYBSO-AWEZNQCLSA-N 0 0 316.361 0.960 10 0 DCAERN Cc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000128679165 525375750 /nfs/dbraw/zinc/37/57/50/525375750.db2.gz ZSOXNVFHWAFBIS-JSGCOSHPSA-N 0 0 305.378 0.948 10 0 DCAERN O=S(=O)(C[C@@H]1CCOC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173837411 534861882 /nfs/dbraw/zinc/86/18/82/534861882.db2.gz PDZGEAHEERPWDW-RKDXNWHRSA-N 0 0 303.302 0.352 10 0 DCAERN O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CCNC(=O)C1 ZINC000119848876 526464752 /nfs/dbraw/zinc/46/47/52/526464752.db2.gz NJLWKUGNOUFKAX-LLVKDONJSA-N 0 0 305.382 0.189 10 0 DCAERN Cc1noc(CCNc2cnn(C)c(=O)c2Br)n1 ZINC000226485385 526611102 /nfs/dbraw/zinc/61/11/02/526611102.db2.gz DGEMMAHPYJQUMX-UHFFFAOYSA-N 0 0 314.143 0.889 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000176890305 526659403 /nfs/dbraw/zinc/65/94/03/526659403.db2.gz NYNDHYJPMXRGRO-KBPBESRZSA-N 0 0 319.409 0.374 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)c1cccc(F)c1 ZINC000330643633 526680672 /nfs/dbraw/zinc/68/06/72/526680672.db2.gz RURZPYVSVWEAJW-STQMWFEESA-N 0 0 312.366 0.897 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CCO)C1CCOCC1 ZINC000330916313 526681009 /nfs/dbraw/zinc/68/10/09/526681009.db2.gz ZSOGNYHHLGYBOG-OLZOCXBDSA-N 0 0 316.423 0.202 10 0 DCAERN O=C(CCn1cncn1)N1CCCN(c2cccnn2)CC1 ZINC000105810677 526687196 /nfs/dbraw/zinc/68/71/96/526687196.db2.gz WSYGFRFUPJHDJK-UHFFFAOYSA-N 0 0 301.354 0.197 10 0 DCAERN Cc1nc(CCCC(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cs1 ZINC000157374644 526807197 /nfs/dbraw/zinc/80/71/97/526807197.db2.gz WQVADNALMBGJQZ-BXKDBHETSA-N 0 0 311.407 0.875 10 0 DCAERN O=C(CNC(=O)NC1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000112652532 526838163 /nfs/dbraw/zinc/83/81/63/526838163.db2.gz HFIBNVKLQNZIQI-GFCCVEGCSA-N 0 0 320.397 0.341 10 0 DCAERN O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCCn2ncnc21 ZINC000176323081 526856297 /nfs/dbraw/zinc/85/62/97/526856297.db2.gz NIURQGCUUSPWQO-GFCCVEGCSA-N 0 0 317.324 0.798 10 0 DCAERN NC(=O)CCn1ccc(NC(=O)c2cnn3c2CCCC3)n1 ZINC000126983003 526877501 /nfs/dbraw/zinc/87/75/01/526877501.db2.gz MEIBRIISXKHMJJ-UHFFFAOYSA-N 0 0 302.338 0.544 10 0 DCAERN NC(=O)CNC(=O)c1cccc(OC[C@@H](O)C(F)(F)F)c1 ZINC000158477267 526887582 /nfs/dbraw/zinc/88/75/82/526887582.db2.gz PWHAWOVANDSHOU-SECBINFHSA-N 0 0 306.240 0.204 10 0 DCAERN O=C1CCC(=O)N1CCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159294955 526963712 /nfs/dbraw/zinc/96/37/12/526963712.db2.gz OALQJLONTYFWIG-OLZOCXBDSA-N 0 0 322.361 0.553 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nc1 ZINC000121025005 527038639 /nfs/dbraw/zinc/03/86/39/527038639.db2.gz NQLOGQBUSWCTLD-LRDDRELGSA-N 0 0 303.362 0.948 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154838222 527116429 /nfs/dbraw/zinc/11/64/29/527116429.db2.gz ADKXZVNCZOTKDY-PELKAZGASA-N 0 0 304.350 0.823 10 0 DCAERN CC(=O)[C@](C)(O)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000331337731 527154316 /nfs/dbraw/zinc/15/43/16/527154316.db2.gz QYZDIZYSXZPDBP-QGZVFWFLSA-N 0 0 304.390 0.713 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000267600351 527189528 /nfs/dbraw/zinc/18/95/28/527189528.db2.gz LWHADBNOZWJERH-NWDGAFQWSA-N 0 0 320.397 0.730 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H]1CC[C@H](CO)CC1 ZINC000152314134 527349587 /nfs/dbraw/zinc/34/95/87/527349587.db2.gz FUGVIYUERFZVKA-TXEJJXNPSA-N 0 0 303.362 0.997 10 0 DCAERN O=C(Nc1ccncc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000130820554 527454840 /nfs/dbraw/zinc/45/48/40/527454840.db2.gz ZTQVGSLGYYQJON-UHFFFAOYSA-N 0 0 324.348 0.873 10 0 DCAERN O=C(NC1CN(C(=O)N[C@H]2CCCn3ncnc32)C1)C1CCC1 ZINC000188890102 527541819 /nfs/dbraw/zinc/54/18/19/527541819.db2.gz KCTOZQADEXNNSP-LBPRGKRZSA-N 0 0 318.381 0.423 10 0 DCAERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC000157758626 527583615 /nfs/dbraw/zinc/58/36/15/527583615.db2.gz ZVVBVFYSWUOYSK-LLVKDONJSA-N 0 0 321.425 0.556 10 0 DCAERN CC(C)CC[C@@](C)(O)CNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000193951231 527835224 /nfs/dbraw/zinc/83/52/24/527835224.db2.gz ZJARIEDJTXXCSQ-DGCLKSJQSA-N 0 0 308.444 0.570 10 0 DCAERN CCCNS(=O)(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408356636 528521573 /nfs/dbraw/zinc/52/15/73/528521573.db2.gz GBMBZDUCXSDIJP-NSHDSACASA-N 0 0 321.468 0.271 10 0 DCAERN CCOc1ccc(OCC(=O)N2CCN(CCO)[C@H](C)C2)cc1 ZINC000188755381 528562993 /nfs/dbraw/zinc/56/29/93/528562993.db2.gz QCNXUPFSVVANTG-CQSZACIVSA-N 0 0 322.405 0.989 10 0 DCAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)NCc1ccccc1 ZINC000176574705 528703866 /nfs/dbraw/zinc/70/38/66/528703866.db2.gz PLIYLAVVYSJQLJ-JOCHJYFZSA-N 0 0 321.406 0.819 10 0 DCAERN CC(C)[C@H](CNC(=O)N(C)CC1(CO)CC1)N1CCOCC1 ZINC000186860619 529000136 /nfs/dbraw/zinc/00/01/36/529000136.db2.gz XMXSTFYEBSNZPW-AWEZNQCLSA-N 0 0 313.442 0.757 10 0 DCAERN CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1c1ncc[nH]1 ZINC000328614601 529133409 /nfs/dbraw/zinc/13/34/09/529133409.db2.gz ALZCHUCWIJUZEH-FZMZJTMJSA-N 0 0 310.423 0.483 10 0 DCAERN CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[C@](O)(C(N)=O)C1 ZINC000285126683 534922718 /nfs/dbraw/zinc/92/27/18/534922718.db2.gz SDYNNSYYAMJQAQ-QLJPJBMISA-N 0 0 319.361 0.138 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1coc(Br)c1 ZINC000091782067 545720048 /nfs/dbraw/zinc/72/00/48/545720048.db2.gz MQGRTDMHVBBCPL-ZETCQYMHSA-N 0 0 303.112 0.368 10 0 DCAERN Cc1cc(C)n(-c2cncc(N3CCC(NC(N)=O)CC3)n2)n1 ZINC000092665317 545723978 /nfs/dbraw/zinc/72/39/78/545723978.db2.gz NGLMHUITHYENQR-UHFFFAOYSA-N 0 0 315.381 0.916 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC2CC2)CC1 ZINC000103502979 545731859 /nfs/dbraw/zinc/73/18/59/545731859.db2.gz NEJJTYIABOCILI-LBPRGKRZSA-N 0 0 308.426 0.923 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000121582888 545749668 /nfs/dbraw/zinc/74/96/68/545749668.db2.gz GJIIRUXOGGNNEV-UHFFFAOYSA-N 0 0 303.362 0.462 10 0 DCAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC1(O)CCCC1 ZINC000122464631 545751994 /nfs/dbraw/zinc/75/19/94/545751994.db2.gz WWCCUMGPOXBKGJ-NSHDSACASA-N 0 0 323.397 0.864 10 0 DCAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](CCO)C1 ZINC000126847423 545770637 /nfs/dbraw/zinc/77/06/37/545770637.db2.gz UGCZCRGONODZLO-NEPJUHHUSA-N 0 0 304.412 0.031 10 0 DCAERN CCc1c(C(=O)N(C)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000130035560 545785598 /nfs/dbraw/zinc/78/55/98/545785598.db2.gz KISJSOLSKNOASC-UHFFFAOYSA-N 0 0 316.361 0.429 10 0 DCAERN CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000133188305 545796269 /nfs/dbraw/zinc/79/62/69/545796269.db2.gz RDNOPSIZOSLPNX-QWRGUYRKSA-N 0 0 306.428 0.324 10 0 DCAERN CC(C)(C)n1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cn1 ZINC000152091286 545821940 /nfs/dbraw/zinc/82/19/40/545821940.db2.gz PATNVBZJOKPKNO-UHFFFAOYSA-N 0 0 319.409 0.883 10 0 DCAERN CCCn1cc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000154092761 545835892 /nfs/dbraw/zinc/83/58/92/545835892.db2.gz UFSDKJSXGYPHGL-CYBMUJFWSA-N 0 0 300.428 0.807 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccnc1 ZINC000173939972 545884335 /nfs/dbraw/zinc/88/43/35/545884335.db2.gz HBQSEXROGVBFNH-YPMHNXCESA-N 0 0 311.407 0.725 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000177417039 545891745 /nfs/dbraw/zinc/89/17/45/545891745.db2.gz URSBTBNXUDPLSC-LBPRGKRZSA-N 0 0 319.409 0.642 10 0 DCAERN Cc1nc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(C)s1 ZINC000179110817 545897683 /nfs/dbraw/zinc/89/76/83/545897683.db2.gz KALOTUNIQDRLLA-SNVBAGLBSA-N 0 0 317.436 0.914 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCc1cccc(N(C)C)n1)C(C)C ZINC000179259363 545897936 /nfs/dbraw/zinc/89/79/36/545897936.db2.gz NYKJLFHCYPYEEQ-CYBMUJFWSA-N 0 0 307.398 0.717 10 0 DCAERN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1S(N)(=O)=O ZINC000179426636 545898865 /nfs/dbraw/zinc/89/88/65/545898865.db2.gz GXUXGVMHBARTQY-ZJUUUORDSA-N 0 0 300.380 0.389 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000180804515 545902557 /nfs/dbraw/zinc/90/25/57/545902557.db2.gz XHAUJEKQJIVXOL-VXNVDRBHSA-N 0 0 308.256 0.780 10 0 DCAERN O=C(NCCCn1ccnn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000183065918 545906728 /nfs/dbraw/zinc/90/67/28/545906728.db2.gz IFCCLBZYKCPYJR-UPJWGTAASA-N 0 0 305.382 0.925 10 0 DCAERN O=C(NCCCn1ccnn1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000183528498 545908151 /nfs/dbraw/zinc/90/81/51/545908151.db2.gz UMXJRCHBKPMDJX-CHWSQXEVSA-N 0 0 309.370 0.258 10 0 DCAERN CNC(=O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1 ZINC000183575085 545908741 /nfs/dbraw/zinc/90/87/41/545908741.db2.gz WOXBJQXCVJGBKM-CYBMUJFWSA-N 0 0 306.337 0.831 10 0 DCAERN O=C1NC[C@H]2CN(Cc3cccc4cnccc43)CCN2C1=O ZINC000183404400 545908856 /nfs/dbraw/zinc/90/88/56/545908856.db2.gz PROUWBWOFBODEB-AWEZNQCLSA-N 0 0 310.357 0.377 10 0 DCAERN COc1cc(N2CCN(C(=O)[C@H](C)OCC3CC3)CC2)ncn1 ZINC000183846690 545909543 /nfs/dbraw/zinc/90/95/43/545909543.db2.gz IZYOSBWCSRNZNW-LBPRGKRZSA-N 0 0 320.393 0.949 10 0 DCAERN C[C@@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)N1CCOCC1 ZINC000189506451 545920128 /nfs/dbraw/zinc/92/01/28/545920128.db2.gz RLPMFGKYXSIEBM-LBPRGKRZSA-N 0 0 315.373 0.979 10 0 DCAERN CC1(C)CC[C@H](CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)O1 ZINC000189645413 545921832 /nfs/dbraw/zinc/92/18/32/545921832.db2.gz CITAIMDVBYSWTK-NEPJUHHUSA-N 0 0 318.439 0.874 10 0 DCAERN CCNS(=O)(=O)c1ccccc1NC[C@]1(O)CCOC1 ZINC000227171185 545944709 /nfs/dbraw/zinc/94/47/09/545944709.db2.gz SXLKWJOIFJVZMO-CYBMUJFWSA-N 0 0 300.380 0.548 10 0 DCAERN COCCN1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C ZINC000245971500 545962863 /nfs/dbraw/zinc/96/28/63/545962863.db2.gz ARXJNUPFMUKNLR-ZIAGYGMSSA-N 0 0 320.455 0.538 10 0 DCAERN CCCN(C)S(=O)(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000251718389 545973833 /nfs/dbraw/zinc/97/38/33/545973833.db2.gz LHMUDWVFORPMEM-CYBMUJFWSA-N 0 0 316.427 0.863 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)NCCc1cnc(C2CC2)nc1 ZINC000332757812 546059596 /nfs/dbraw/zinc/05/95/96/546059596.db2.gz FIIFTLJWGWUXCS-CYBMUJFWSA-N 0 0 317.393 0.817 10 0 DCAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000332754441 546059617 /nfs/dbraw/zinc/05/96/17/546059617.db2.gz KJYMXGNSHQHLFT-RYUDHWBXSA-N 0 0 309.410 0.808 10 0 DCAERN Cc1nnc2n1C[C@H](CNC(=O)NC[C@H]1CCCC[C@@H]1O)CC2 ZINC000332853180 546063851 /nfs/dbraw/zinc/06/38/51/546063851.db2.gz OYPLPJZQEQRRJG-MJBXVCDLSA-N 0 0 321.425 0.999 10 0 DCAERN O=C(NC[C@@H]1CCCS(=O)(=O)C1)NC[C@@H]1CCCC[C@@H]1O ZINC000332894577 546065404 /nfs/dbraw/zinc/06/54/04/546065404.db2.gz WMVPKDBBGHRHQS-AVGNSLFASA-N 0 0 318.439 0.662 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000333175948 546073232 /nfs/dbraw/zinc/07/32/32/546073232.db2.gz LLTFWONXIAEECN-GFCCVEGCSA-N 0 0 313.427 0.319 10 0 DCAERN CN([C@@H]1CCOC1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000333543890 546084205 /nfs/dbraw/zinc/08/42/05/546084205.db2.gz ORADWSCVRULMBY-MNOVXSKESA-N 0 0 301.368 0.254 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)c2cnn3c2CCCC3)cn1 ZINC000333594954 546085460 /nfs/dbraw/zinc/08/54/60/546085460.db2.gz XMWPKROFRAMOPO-UHFFFAOYSA-N 0 0 302.338 0.414 10 0 DCAERN Cn1cc(C(=O)c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)cn1 ZINC000350362673 546162168 /nfs/dbraw/zinc/16/21/68/546162168.db2.gz VPTBHACFDOOMBP-ABAIWWIYSA-N 0 0 317.349 0.960 10 0 DCAERN Cn1cc(C(=O)c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cn1 ZINC000350362676 546162355 /nfs/dbraw/zinc/16/23/55/546162355.db2.gz VPTBHACFDOOMBP-XHDPSFHLSA-N 0 0 317.349 0.960 10 0 DCAERN COc1cc(C)nc(N2CCN(Cc3nnc(C)[nH]3)CC2)n1 ZINC000359089697 546196460 /nfs/dbraw/zinc/19/64/60/546196460.db2.gz DFQVRXKEJOBNQB-UHFFFAOYSA-N 0 0 303.370 0.542 10 0 DCAERN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NCCn1ccnc1 ZINC000666351770 546455937 /nfs/dbraw/zinc/45/59/37/546455937.db2.gz JRTYUTOBUOQMIN-CHWSQXEVSA-N 0 0 303.366 0.901 10 0 DCAERN O=C(c1ncnc2[nH]ccc21)N1CC[C@H](N2CCOCC2)C1 ZINC000669243287 546942809 /nfs/dbraw/zinc/94/28/09/546942809.db2.gz YICMTAGOUXRKJN-NSHDSACASA-N 0 0 301.350 0.456 10 0 DCAERN CCOC1(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)CCCC1 ZINC000671603811 547264220 /nfs/dbraw/zinc/26/42/20/547264220.db2.gz JJVLQTPZHSQISC-CQSZACIVSA-N 0 0 308.382 0.591 10 0 DCAERN COCCOCc1c(N)n(CC(F)(F)F)nc1C(=O)OC ZINC000725254525 548749228 /nfs/dbraw/zinc/74/92/28/548749228.db2.gz VSOPTULUJHZWRK-UHFFFAOYSA-N 0 0 311.260 0.977 10 0 DCAERN COC(=O)CCCS(=O)(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000722334277 660847698 /nfs/dbraw/zinc/84/76/98/660847698.db2.gz PQWCEEGKURCAFY-NEPJUHHUSA-N 0 0 305.396 0.817 10 0 DCAERN O=S(=O)(N1CCNCC1)N1CCS[C@H](C(F)(F)F)C1 ZINC000721395122 660998328 /nfs/dbraw/zinc/99/83/28/660998328.db2.gz ZZXQKLNVYXOSLR-QMMMGPOBSA-N 0 0 319.374 0.116 10 0 DCAERN Cc1cnc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)c(O)c1 ZINC000888093609 661159005 /nfs/dbraw/zinc/15/90/05/661159005.db2.gz KLQNQDVFBPSCIU-WCQYABFASA-N 0 0 318.333 0.405 10 0 DCAERN CNC(=O)c1cnc(C2CCN([C@H](C)c3nnnn3C)CC2)o1 ZINC000888103210 661184531 /nfs/dbraw/zinc/18/45/31/661184531.db2.gz PIYKANARSZREHL-SECBINFHSA-N 0 0 319.369 0.498 10 0 DCAERN COc1c(CNC(=O)[C@@H]2CCNCC2(F)F)c(C)nn1C ZINC000888103099 661184724 /nfs/dbraw/zinc/18/47/24/661184724.db2.gz GPIGHEJGXXJKTQ-JTQLQIEISA-N 0 0 302.325 0.598 10 0 DCAERN CC(C)CO[C@@H]1C[C@H](OC(=O)Cn2ncn(C)c2=O)C1(C)C ZINC000180368644 665436631 /nfs/dbraw/zinc/43/66/31/665436631.db2.gz STKVLRRYWBWVLD-NEPJUHHUSA-N 0 0 311.382 0.965 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@@H](c3nc(C)no3)C2)nn1 ZINC000068961879 665455800 /nfs/dbraw/zinc/45/58/00/665455800.db2.gz OUNNNGCLQHLOBA-SNVBAGLBSA-N 0 0 306.326 0.593 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)NCC(C)(CO)CO)c1C ZINC000722585076 657463245 /nfs/dbraw/zinc/46/32/45/657463245.db2.gz PMWPDYGPCWFKPV-UHFFFAOYSA-N 0 0 307.437 0.943 10 0 DCAERN Cn1cc(/C=C/C(=O)OC[C@@]2(C)CCCO2)c(=O)n(C)c1=O ZINC000177247607 657516335 /nfs/dbraw/zinc/51/63/35/657516335.db2.gz RVSABJMXUZRUMW-LLYBFZRZSA-N 0 0 308.334 0.210 10 0 DCAERN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@H](C(N)=O)C(C)(C)C ZINC000255378867 657601637 /nfs/dbraw/zinc/60/16/37/657601637.db2.gz DMMICDDRVMPXPM-IINYFYTJSA-N 0 0 321.425 0.704 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NC[C@@H](O)c1cccc(F)c1 ZINC000160337095 657718281 /nfs/dbraw/zinc/71/82/81/657718281.db2.gz XHCMLVIYTPIWPK-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN COC(=O)C1(O)CN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000724049715 657922453 /nfs/dbraw/zinc/92/24/53/657922453.db2.gz UGORKIJAJCZYQL-SSDOTTSWSA-N 0 0 307.215 0.155 10 0 DCAERN COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160427048 658001229 /nfs/dbraw/zinc/00/12/29/658001229.db2.gz CQWLYTDUHRKXBO-GFCCVEGCSA-N 0 0 324.356 0.386 10 0 DCAERN C[C@@H](CC(=O)NCC1(S(N)(=O)=O)CCC1)C(F)(F)F ZINC000721567647 658050275 /nfs/dbraw/zinc/05/02/75/658050275.db2.gz NLTAMPROMGYOJP-ZETCQYMHSA-N 0 0 302.318 0.902 10 0 DCAERN CN(Cc1nc2c(s1)CCCC2)CN1C(=O)C(=O)N(C)C1=O ZINC000083115187 658123208 /nfs/dbraw/zinc/12/32/08/658123208.db2.gz KROAERCWXMWLNZ-UHFFFAOYSA-N 0 0 322.390 0.832 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)C2C[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000721580335 658138801 /nfs/dbraw/zinc/13/88/01/658138801.db2.gz ZLSURAVCWKZJFP-FGWVZKOKSA-N 0 0 318.464 0.988 10 0 DCAERN CNC(=O)[C@@H]1CCCN1CC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 ZINC000255628275 658418848 /nfs/dbraw/zinc/41/88/48/658418848.db2.gz SDWYAPJGZCWQCL-AAEUAGOBSA-N 0 0 319.409 0.425 10 0 DCAERN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(F)c1 ZINC000724547502 658444578 /nfs/dbraw/zinc/44/45/78/658444578.db2.gz PDNHTQYHVSKIDN-XWIASGKRSA-N 0 0 301.339 0.908 10 0 DCAERN CN1C[C@@H](CCNS(=O)(=O)c2cccc(F)c2)CC1=O ZINC000723352688 658639473 /nfs/dbraw/zinc/63/94/73/658639473.db2.gz MLZLSGLASNDYAP-JTQLQIEISA-N 0 0 300.355 0.972 10 0 DCAERN Cn1ncc([C@@H]2C[NH2+]C[C@@H]2C(=O)[O-])c1I ZINC000757192768 658656668 /nfs/dbraw/zinc/65/66/68/658656668.db2.gz NSQXLLSTPAVVJW-FSPLSTOPSA-N 0 0 321.118 0.412 10 0 DCAERN NCc1nc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000262179562 658678648 /nfs/dbraw/zinc/67/86/48/658678648.db2.gz INVQWFLWTNNQBI-GHMZBOCLSA-N 0 0 324.406 0.914 10 0 DCAERN COC[C@]1(C)CC(=O)N(CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000177147782 658703560 /nfs/dbraw/zinc/70/35/60/658703560.db2.gz JKIMWKNJOHLXAI-GOEBONIOSA-N 0 0 322.409 0.426 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 ZINC000888079357 658730116 /nfs/dbraw/zinc/73/01/16/658730116.db2.gz ZJZRJEMDKAOFKH-GHMZBOCLSA-N 0 0 302.400 0.111 10 0 DCAERN CS(=O)(=O)c1cc(C(=O)N2CC(CO)C2)ccc1Cl ZINC000091487399 658755970 /nfs/dbraw/zinc/75/59/70/658755970.db2.gz YYPAEUVFTIEVIQ-UHFFFAOYSA-N 0 0 303.767 0.808 10 0 DCAERN Cn1cc(/C=C\C(=O)Oc2cccc(F)c2)c(=O)n(C)c1=O ZINC000255332469 658763965 /nfs/dbraw/zinc/76/39/65/658763965.db2.gz SHWRMUWNUCSMRQ-SREVYHEPSA-N 0 0 304.277 0.842 10 0 DCAERN O=C(/C=C\c1cccnc1)NCCCN1CCCS1(=O)=O ZINC000725761708 658774329 /nfs/dbraw/zinc/77/43/29/658774329.db2.gz TVHLTCWUEFDATF-WAYWQWQTSA-N 0 0 309.391 0.637 10 0 DCAERN CCN(CC)S(=O)(=O)CC(=O)O[C@@H](C)Cn1cccn1 ZINC000181578030 665618647 /nfs/dbraw/zinc/61/86/47/665618647.db2.gz ZXVLPLJUUQUWOA-NSHDSACASA-N 0 0 303.384 0.486 10 0 DCAERN Cn1nnc(Br)c1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000311127577 659114293 /nfs/dbraw/zinc/11/42/93/659114293.db2.gz QBUSTJMJMKMQPR-HTQZYQBOSA-N 0 0 317.187 0.859 10 0 DCAERN CCc1cc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000228361620 659134414 /nfs/dbraw/zinc/13/44/14/659134414.db2.gz HVALCBLNZYFKPQ-SECBINFHSA-N 0 0 303.409 0.831 10 0 DCAERN COc1cc(N2CCN(C(=O)c3cnsn3)CC2)ncn1 ZINC000183815667 659194091 /nfs/dbraw/zinc/19/40/91/659194091.db2.gz BTVSCTJVWUTPQC-UHFFFAOYSA-N 0 0 306.351 0.299 10 0 DCAERN NC(=O)NC(=O)COC(=O)c1cc(N)cc(Br)c1 ZINC000166358867 659249853 /nfs/dbraw/zinc/24/98/53/659249853.db2.gz VDWIRSLUXRGORK-UHFFFAOYSA-N 0 0 316.111 0.383 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](CO)C2)s1 ZINC000311670065 659349114 /nfs/dbraw/zinc/34/91/14/659349114.db2.gz HEQLRVNARHSDSM-RKDXNWHRSA-N 0 0 306.409 0.981 10 0 DCAERN CCOC[C@@H](C)OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000190684639 659371663 /nfs/dbraw/zinc/37/16/63/659371663.db2.gz OKZQNAFIBRDBPH-SNVBAGLBSA-N 0 0 306.318 0.658 10 0 DCAERN Cc1cc(Cl)ncc1NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000312738320 659472685 /nfs/dbraw/zinc/47/26/85/659472685.db2.gz IYYWBYMJVBKUMP-VIFPVBQESA-N 0 0 317.798 0.759 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC000194076990 659477303 /nfs/dbraw/zinc/47/73/03/659477303.db2.gz SDWZVJUPFKBVHU-KMOQFTEPSA-N 0 0 305.309 0.975 10 0 DCAERN Cc1c(C(=O)Oc2cccc(C(=O)NCC(N)=O)c2)ccn1C ZINC000194938814 659524036 /nfs/dbraw/zinc/52/40/36/659524036.db2.gz LCXNSVGRJPWQLI-UHFFFAOYSA-N 0 0 315.329 0.768 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccnc2Cl)C1 ZINC000091204239 665688238 /nfs/dbraw/zinc/68/82/38/665688238.db2.gz DCGHJUKMXWFCMJ-SNVBAGLBSA-N 0 0 324.768 0.801 10 0 DCAERN Cn1cc(/C=C\C(=O)OCC[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000299735520 659619305 /nfs/dbraw/zinc/61/93/05/659619305.db2.gz YSPVEDMBRNYEOY-FJOGCWAESA-N 0 0 308.334 0.210 10 0 DCAERN Cc1nc2c(nccc2C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)[nH]1 ZINC000333136526 659770859 /nfs/dbraw/zinc/77/08/59/659770859.db2.gz JLWAQNSYXWQTRR-MNOVXSKESA-N 0 0 317.393 0.793 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCO[C@@H](C)C3)C2)CCO1 ZINC000333102406 659774089 /nfs/dbraw/zinc/77/40/89/659774089.db2.gz FBAYLYZZQBQHEJ-NMWPEEMBSA-N 0 0 324.421 0.897 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000261641713 661343145 /nfs/dbraw/zinc/34/31/45/661343145.db2.gz ITWVKHGNSWWKHQ-GFCCVEGCSA-N 0 0 302.252 0.925 10 0 DCAERN CC(=O)N(CCC(=O)OCC(=O)NC(N)=O)Cc1ccccc1 ZINC000726212366 661653581 /nfs/dbraw/zinc/65/35/81/661653581.db2.gz JOFWOXVPSMHPFM-UHFFFAOYSA-N 0 0 321.333 0.163 10 0 DCAERN CNC(=O)[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)C(C)C ZINC000178925498 662027246 /nfs/dbraw/zinc/02/72/46/662027246.db2.gz QNIUIARQVCFMLJ-NSHDSACASA-N 0 0 319.814 0.925 10 0 DCAERN CC[C@]1(C(C)C)NC(=O)N(CN2CCC[C@H](NC(C)=O)C2)C1=O ZINC000151407715 662050928 /nfs/dbraw/zinc/05/09/28/662050928.db2.gz ZIHRGJICIFZTDK-XJKSGUPXSA-N 0 0 324.425 0.901 10 0 DCAERN CC(C)NC(=O)CNC(=S)N1CC(=O)Nc2ccccc21 ZINC000727270103 662148889 /nfs/dbraw/zinc/14/88/89/662148889.db2.gz BYQSBXBWQGTPQX-UHFFFAOYSA-N 0 0 306.391 0.844 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCCc1ccnn1C ZINC000186493127 665873954 /nfs/dbraw/zinc/87/39/54/665873954.db2.gz ZYHFBZQYINGKAN-UHFFFAOYSA-N 0 0 302.382 0.923 10 0 DCAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CC(F)(F)CN1 ZINC000263021804 662617840 /nfs/dbraw/zinc/61/78/40/662617840.db2.gz QZOWVVYBDZPFAL-LLVKDONJSA-N 0 0 307.304 0.881 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000342856076 662628232 /nfs/dbraw/zinc/62/82/32/662628232.db2.gz BWBMKOFWZRNDHG-QWHCGFSZSA-N 0 0 316.423 0.610 10 0 DCAERN CNS(=O)(=O)c1cccc(CNC(=O)C2=COCCC2)c1 ZINC000729260616 662757663 /nfs/dbraw/zinc/75/76/63/662757663.db2.gz GMMSNKLPSVCDSA-UHFFFAOYSA-N 0 0 310.375 0.905 10 0 DCAERN [NH3+][C@]1(C(=O)[O-])CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000067786135 662887107 /nfs/dbraw/zinc/88/71/07/662887107.db2.gz NPPBSOUVTZUJRW-QGZVFWFLSA-N 0 0 319.405 0.507 10 0 DCAERN COCCn1cc(C(=O)O[C@H](C(=O)N(C)C)C(C)C)ccc1=O ZINC000729704554 662907781 /nfs/dbraw/zinc/90/77/81/662907781.db2.gz IWEGRTVTINJYHP-AWEZNQCLSA-N 0 0 324.377 0.764 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)NCC=C(Cl)Cl)nn1 ZINC000898306626 662947729 /nfs/dbraw/zinc/94/77/29/662947729.db2.gz CBXVSEHGCMRHIC-RKDXNWHRSA-N 0 0 321.164 0.913 10 0 DCAERN O=S(=O)(/C=C/c1ccc(Cl)cc1)N[C@@H]1COC[C@H]1O ZINC000323091641 662987914 /nfs/dbraw/zinc/98/79/14/662987914.db2.gz YODRKFYZQHHVGY-IEVRTODYSA-N 0 0 303.767 0.990 10 0 DCAERN O=S(=O)(N1CCNCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040861607 663051022 /nfs/dbraw/zinc/05/10/22/663051022.db2.gz DWOPUPBCVYLIIT-VIFPVBQESA-N 0 0 301.334 0.411 10 0 DCAERN COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](C)[C@@H](C)O ZINC000344957660 663081673 /nfs/dbraw/zinc/08/16/73/663081673.db2.gz UCFZUVGSHWWCNF-HTQZYQBOSA-N 0 0 305.327 0.660 10 0 DCAERN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cc(=O)[nH][nH]1 ZINC000898868902 663111243 /nfs/dbraw/zinc/11/12/43/663111243.db2.gz XZJHPPDYCHGBOU-KOLCDFICSA-N 0 0 306.366 0.941 10 0 DCAERN CO[C@H]1C[C@H](C(=O)NCC(C)(C)n2ccnc2)N(C(C)=O)C1 ZINC000898907204 663114050 /nfs/dbraw/zinc/11/40/50/663114050.db2.gz NLIXMSYVSOENRO-QWHCGFSZSA-N 0 0 308.382 0.370 10 0 DCAERN NC(=O)[C@@H]1CCCCN1C(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900159619 663220363 /nfs/dbraw/zinc/22/03/63/663220363.db2.gz LPZMFGSNIPSLDO-YATPEIPISA-N 0 0 310.419 0.811 10 0 DCAERN CC(C)(O)[C@@H](O)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000900775534 663279527 /nfs/dbraw/zinc/27/95/27/663279527.db2.gz AJHVLCYZNLZOHQ-ZDUSSCGKSA-N 0 0 319.361 0.608 10 0 DCAERN COC[C@](C)(NC(=O)c1ccnc2[nH]c(C)nc21)C(=O)OC ZINC000436184121 663432386 /nfs/dbraw/zinc/43/23/86/663432386.db2.gz SUODWUASZRANQI-AWEZNQCLSA-N 0 0 306.322 0.574 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[C@@H]1OCCc2ccccc21 ZINC000909165153 663785058 /nfs/dbraw/zinc/78/50/58/663785058.db2.gz BWQBBZXFAIKCLT-QKPAOTATSA-N 0 0 313.357 0.988 10 0 DCAERN Cn1nc2c(c1C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)CCCC2 ZINC000909171063 663785626 /nfs/dbraw/zinc/78/56/26/663785626.db2.gz ATABAUSSSVLBPG-VNHYZAJKSA-N 0 0 315.377 0.600 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1cnc2n1CCCCC2 ZINC000909189376 663786067 /nfs/dbraw/zinc/78/60/67/663786067.db2.gz IPCZTLCAOJMUBG-ZLDLUXBVSA-N 0 0 315.377 0.910 10 0 DCAERN O=C(Cc1cnn2c1CCCC2)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909194370 663786491 /nfs/dbraw/zinc/78/64/91/663786491.db2.gz BJBSRJSKJHHTRY-XNRPHZJLSA-N 0 0 315.377 0.449 10 0 DCAERN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCOC[C@@H]1CO ZINC000912428290 664175389 /nfs/dbraw/zinc/17/53/89/664175389.db2.gz WEYBTAJXCXKTRZ-RYUDHWBXSA-N 0 0 322.336 0.398 10 0 DCAERN C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)CCCS(N)(=O)=O ZINC000912529881 664184278 /nfs/dbraw/zinc/18/42/78/664184278.db2.gz OCLRPPLELRXECR-APPZFPTMSA-N 0 0 318.317 0.233 10 0 DCAERN CC(C)(CNC(=O)CN1CCCC[C@H](O)C1=O)n1cccn1 ZINC000912624755 664193096 /nfs/dbraw/zinc/19/30/96/664193096.db2.gz ALCLOIDYPYOHTQ-LBPRGKRZSA-N 0 0 308.382 0.108 10 0 DCAERN CCNC(=O)CCC(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913089727 664267299 /nfs/dbraw/zinc/26/72/99/664267299.db2.gz KGXSZZKUZROPSX-MLGOLLRUSA-N 0 0 322.409 0.899 10 0 DCAERN CC1(C)CN(Cn2ncc3ccccc3c2=O)CCS1(=O)=O ZINC000151435453 664336358 /nfs/dbraw/zinc/33/63/58/664336358.db2.gz CZHGMVMLXMTWBE-UHFFFAOYSA-N 0 0 321.402 0.863 10 0 DCAERN CNC(=O)CNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000054778254 664356187 /nfs/dbraw/zinc/35/61/87/664356187.db2.gz ONYZQTIFXLEHCA-UHFFFAOYSA-N 0 0 318.377 0.749 10 0 DCAERN O=c1oc(-c2ccc(F)cc2)nn1CN1CCNC(=O)CC1 ZINC000044781674 664370973 /nfs/dbraw/zinc/37/09/73/664370973.db2.gz APLTXNWGRYPMTG-UHFFFAOYSA-N 0 0 306.297 0.422 10 0 DCAERN COc1ccc2nnc(C(=O)NCC3(CO)CCC3)nc2c1 ZINC000223251034 664404241 /nfs/dbraw/zinc/40/42/41/664404241.db2.gz FMBVTWMXTKVITC-UHFFFAOYSA-N 0 0 302.334 0.926 10 0 DCAERN CCCS(=O)(=O)NCC1(CN2CCOCC2)CCOCC1 ZINC000223620473 664418191 /nfs/dbraw/zinc/41/81/91/664418191.db2.gz FRQFFBVOUBVGAH-UHFFFAOYSA-N 0 0 320.455 0.445 10 0 DCAERN O=C(NC[C@H]1CCCS1(=O)=O)N[C@@H]1COc2ccccc21 ZINC000165900023 664431031 /nfs/dbraw/zinc/43/10/31/664431031.db2.gz RBRIOMIOFVXLBO-ZYHUDNBSSA-N 0 0 310.375 0.997 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCC[C@@H]1CO ZINC000225662295 664489572 /nfs/dbraw/zinc/48/95/72/664489572.db2.gz AAIIZEXXNJDTDA-IJLUTSLNSA-N 0 0 321.464 0.574 10 0 DCAERN O=S1(=O)CCNC[C@H]1CCNc1nc(C2CC2)ns1 ZINC000721725669 664497426 /nfs/dbraw/zinc/49/74/26/664497426.db2.gz NPSRRDNULOCBOS-SECBINFHSA-N 0 0 302.425 0.604 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cccnc1Br ZINC000227574658 664535853 /nfs/dbraw/zinc/53/58/53/664535853.db2.gz GFEBLSFDWAHAIN-SSDOTTSWSA-N 0 0 312.123 0.379 10 0 DCAERN COc1ccc(S(=O)(=O)N2CCCO2)cc1NC(C)=O ZINC000228018640 664542658 /nfs/dbraw/zinc/54/26/58/664542658.db2.gz KSZHTCACNGXYIK-UHFFFAOYSA-N 0 0 300.336 0.980 10 0 DCAERN C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)N1CCc2ccccc21 ZINC000171286084 664606657 /nfs/dbraw/zinc/60/66/57/664606657.db2.gz OANSMECQORRHMF-DZGCQCFKSA-N 0 0 303.406 0.884 10 0 DCAERN O=C(CNC(=O)c1ccccn1)NC[C@@H](O)c1cccc(F)c1 ZINC000172403193 664620781 /nfs/dbraw/zinc/62/07/81/664620781.db2.gz QYIJPNKGMUCJRI-CQSZACIVSA-N 0 0 317.320 0.800 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cn(C)nc1C ZINC000172763554 664624713 /nfs/dbraw/zinc/62/47/13/664624713.db2.gz XTZUDLFLNAZBFO-GFCCVEGCSA-N 0 0 314.411 0.871 10 0 DCAERN Cc1nn(C)cc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000172772578 664625009 /nfs/dbraw/zinc/62/50/09/664625009.db2.gz UHBOUVXXJULXKY-UHFFFAOYSA-N 0 0 307.354 0.778 10 0 DCAERN CCCC[C@@H]1NC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172959924 664626072 /nfs/dbraw/zinc/62/60/72/664626072.db2.gz YWYAEAJRIOWDQB-KBPBESRZSA-N 0 0 324.425 0.461 10 0 DCAERN CCOC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000087899140 664626896 /nfs/dbraw/zinc/62/68/96/664626896.db2.gz RJMVZDMGAOEUKS-QMMMGPOBSA-N 0 0 304.343 0.628 10 0 DCAERN Cc1nn(C)c(C)c1CN1CCN(CN2CCOC2=S)CC1 ZINC000152665139 664768406 /nfs/dbraw/zinc/76/84/06/664768406.db2.gz GKUBWBPCKMJWQO-UHFFFAOYSA-N 0 0 323.466 0.729 10 0 DCAERN COC(=O)c1cn(CN2CCC(Cn3cccn3)CC2)nn1 ZINC000152759685 664772947 /nfs/dbraw/zinc/77/29/47/664772947.db2.gz JAEUHORYMJNZSB-UHFFFAOYSA-N 0 0 304.354 0.631 10 0 DCAERN CCNC(=O)NC(=O)COC(=O)Cn1ncc2ccccc21 ZINC000730637331 664798900 /nfs/dbraw/zinc/79/89/00/664798900.db2.gz QPWLIEJSHZUOBN-UHFFFAOYSA-N 0 0 304.306 0.425 10 0 DCAERN Cc1cccc([C@H](O)CNC(=O)CNC(=O)c2cccnc2)c1 ZINC000153227647 664804412 /nfs/dbraw/zinc/80/44/12/664804412.db2.gz ZJHCVISHKWZFTH-OAHLLOKOSA-N 0 0 313.357 0.970 10 0 DCAERN CCCCCCOCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000730770365 664805884 /nfs/dbraw/zinc/80/58/84/664805884.db2.gz DWSZWADILKRPBC-GFCCVEGCSA-N 0 0 314.382 0.473 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000730832234 664817586 /nfs/dbraw/zinc/81/75/86/664817586.db2.gz HEXIZKKGQXTYDW-CYBMUJFWSA-N 0 0 307.375 0.593 10 0 DCAERN C[C@@H](NC(=O)COC(=O)C1=COCCC1)C(=O)N1CCCCC1 ZINC000730849650 664820723 /nfs/dbraw/zinc/82/07/23/664820723.db2.gz IBNKQOOTNRMCIW-GFCCVEGCSA-N 0 0 324.377 0.741 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000741424563 664842264 /nfs/dbraw/zinc/84/22/64/664842264.db2.gz ZRPIJUWOPRVLGR-PRWKNARSSA-N 0 0 302.396 0.498 10 0 DCAERN CCNS(=O)(=O)CCNC(=O)N(C)Cc1cc(C)on1 ZINC000731686288 664876817 /nfs/dbraw/zinc/87/68/17/664876817.db2.gz WQSLNLVKKKGIPT-UHFFFAOYSA-N 0 0 304.372 0.064 10 0 DCAERN CN(CC1CC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731686005 664877002 /nfs/dbraw/zinc/87/70/02/664877002.db2.gz HVFCKUMWPRIDOT-UHFFFAOYSA-N 0 0 317.455 0.547 10 0 DCAERN COC(=O)c1ccc2c(cnn2CN2CCn3cnnc3C2)c1 ZINC000732189829 664907391 /nfs/dbraw/zinc/90/73/91/664907391.db2.gz LADFJSDOVSNRPQ-UHFFFAOYSA-N 0 0 312.333 0.888 10 0 DCAERN CN(CC1CC1)C(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000732339398 664913683 /nfs/dbraw/zinc/91/36/83/664913683.db2.gz HWPQIKDQFLDQPS-UHFFFAOYSA-N 0 0 316.313 0.595 10 0 DCAERN CC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CNC(=O)N1 ZINC000732363295 664922233 /nfs/dbraw/zinc/92/22/33/664922233.db2.gz OFCQCLOXPHGVKT-LLVKDONJSA-N 0 0 305.290 0.052 10 0 DCAERN Cc1c(F)ccc(N)c1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000399087802 1157528719 /nfs/dbraw/zinc/52/87/19/1157528719.db2.gz VSYKBFRWRWWFIQ-SECBINFHSA-N 0 0 300.355 0.881 10 0 DCAERN CC(C)[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)N(C)C ZINC000733027853 665050896 /nfs/dbraw/zinc/05/08/96/665050896.db2.gz LLEOIHCRPFQKFB-LLVKDONJSA-N 0 0 305.396 0.467 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)NC2CCN(CCS(C)(=O)=O)CC2)O1 ZINC000153835796 665058688 /nfs/dbraw/zinc/05/86/88/665058688.db2.gz VOXDOSSLCFXQLG-YPMHNXCESA-N 0 0 318.439 0.179 10 0 DCAERN CN1CCC[C@@]2(CCN(c3nc(N)nc4n[nH]cc43)C2)C1=O ZINC000067946503 665380954 /nfs/dbraw/zinc/38/09/54/665380954.db2.gz YJDOZPMGEMXOFT-AWEZNQCLSA-N 0 0 301.354 0.384 10 0 DCAERN Cc1cnn(C[C@@H]2CN(Cn3cc([N+](=O)[O-])c(C)n3)CCO2)c1 ZINC000183333913 666024631 /nfs/dbraw/zinc/02/46/31/666024631.db2.gz TXRMQSCFMAOHMK-ZDUSSCGKSA-N 0 0 320.353 0.963 10 0 DCAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1CCCC[C@@H]1O ZINC000085979982 666269699 /nfs/dbraw/zinc/26/96/99/666269699.db2.gz WKPLEUSTICKKOJ-TUAOUCFPSA-N 0 0 321.464 0.574 10 0 DCAERN CC(C)C[C@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000184891383 666301713 /nfs/dbraw/zinc/30/17/13/666301713.db2.gz HXFPIDKCYHLIEL-RYUDHWBXSA-N 0 0 314.407 0.634 10 0 DCAERN C[C@@H]1CN(C(=O)NCCc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000185009893 666318647 /nfs/dbraw/zinc/31/86/47/666318647.db2.gz PNXBTACBWQDTJW-UKRRQHHQSA-N 0 0 321.425 0.325 10 0 DCAERN C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)cc1 ZINC000076598492 666326671 /nfs/dbraw/zinc/32/66/71/666326671.db2.gz BHEOBNYVXLAPKM-DOMZBBRYSA-N 0 0 316.357 0.914 10 0 DCAERN Cc1csc(=O)n1CCC(=O)O[C@H](C)CCS(C)(=O)=O ZINC000185724252 666554421 /nfs/dbraw/zinc/55/44/21/666554421.db2.gz FXYPQBCHXOOOCI-SNVBAGLBSA-N 0 0 321.420 0.975 10 0 DCAERN O=C(CC1CCCC1)NCCNC(=O)[C@]1(O)CCSC1 ZINC000132682294 666592346 /nfs/dbraw/zinc/59/23/46/666592346.db2.gz OMEDPKILBNACAO-AWEZNQCLSA-N 0 0 300.424 0.667 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000733880138 666823726 /nfs/dbraw/zinc/82/37/26/666823726.db2.gz SPXHWXCMPOTRAL-WSVYEEACSA-N 0 0 312.391 0.513 10 0 DCAERN CC[S@@](=O)CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000733879898 666823770 /nfs/dbraw/zinc/82/37/70/666823770.db2.gz RWCAHRVWHQPEJR-JOCHJYFZSA-N 0 0 324.402 0.687 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1cccc2nsnc21 ZINC000733899879 666824451 /nfs/dbraw/zinc/82/44/51/666824451.db2.gz QHQPNXUVGQDTQD-GOSISDBHSA-N 0 0 319.433 0.738 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccc(OCC(=O)OC)cc1 ZINC000733961491 666832219 /nfs/dbraw/zinc/83/22/19/666832219.db2.gz FYTZUHGEARKVPV-NRFANRHFSA-N 0 0 313.375 0.737 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)N1C[C@H](C)Oc2ccccc21 ZINC000735198326 666966335 /nfs/dbraw/zinc/96/63/35/666966335.db2.gz HDLMEIGGWFJTIE-SAHAZLINSA-N 0 0 324.402 0.685 10 0 DCAERN CC[S@@](=O)CCNC(=O)NCc1cccc(-n2cncn2)c1 ZINC000735515780 666999334 /nfs/dbraw/zinc/99/93/34/666999334.db2.gz XQSCXWYVJAHAMK-JOCHJYFZSA-N 0 0 321.406 0.835 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC000702818630 666999820 /nfs/dbraw/zinc/99/98/20/666999820.db2.gz KIUNGMWMIPJHAH-JQWIXIFHSA-N 0 0 324.381 0.296 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)Cn2cccn2)[C@H](O)C1 ZINC000702819926 667000145 /nfs/dbraw/zinc/00/01/45/667000145.db2.gz RSMGWXGELUTVIU-VXGBXAGGSA-N 0 0 324.381 0.227 10 0 DCAERN Cn1cncc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702819286 667000762 /nfs/dbraw/zinc/00/07/62/667000762.db2.gz OQVSSUYKKFGNBH-ZYHUDNBSSA-N 0 0 324.381 0.378 10 0 DCAERN CCCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702842698 667009900 /nfs/dbraw/zinc/00/99/00/667009900.db2.gz OXIQZJIITGDWOR-MNOVXSKESA-N 0 0 322.427 0.544 10 0 DCAERN C[C@H](O)CCNC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000118719542 667013291 /nfs/dbraw/zinc/01/32/91/667013291.db2.gz FZIYSALXUFQCAR-BWNDKRECSA-N 0 0 312.391 0.958 10 0 DCAERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)CCc2ccnn2C)cn1 ZINC000862923349 667092405 /nfs/dbraw/zinc/09/24/05/667092405.db2.gz QERGGOODPXOCTQ-UONOGXRCSA-N 0 0 319.365 0.049 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CCSC)cn1C ZINC000736347135 667152462 /nfs/dbraw/zinc/15/24/62/667152462.db2.gz SKJRHBFCACJDRL-VIFPVBQESA-N 0 0 319.452 0.805 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000704294493 667202395 /nfs/dbraw/zinc/20/23/95/667202395.db2.gz XMZSSBYCOHNMRQ-UTUOFQBUSA-N 0 0 318.464 0.260 10 0 DCAERN O=C(NNC(=O)c1cccnc1)c1ccc(-n2cncn2)cc1 ZINC000015632871 667259026 /nfs/dbraw/zinc/25/90/26/667259026.db2.gz MPGKAAHEJGQCIO-UHFFFAOYSA-N 0 0 308.301 0.737 10 0 DCAERN C[C@@H]1CN(Cn2nnn(C(C)(C)C)c2=S)C[C@@H](C(N)=O)O1 ZINC000120226782 667281579 /nfs/dbraw/zinc/28/15/79/667281579.db2.gz OGZUFYRYCUFLJW-BDAKNGLRSA-N 0 0 314.415 0.096 10 0 DCAERN C[C@@H]1CN(Cn2nc(-c3cccs3)oc2=O)C[C@H](C(N)=O)O1 ZINC000120266906 667290055 /nfs/dbraw/zinc/29/00/55/667290055.db2.gz PBVSMYVTZVDZKK-RKDXNWHRSA-N 0 0 324.362 0.097 10 0 DCAERN Cn1cc(/C=C\C(=O)OCc2cccc(F)c2)c(=O)n(C)c1=O ZINC000073415171 667326998 /nfs/dbraw/zinc/32/69/98/667326998.db2.gz VFNYEQOXCIEPBG-SREVYHEPSA-N 0 0 318.304 0.980 10 0 DCAERN CCOCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000705746656 667370767 /nfs/dbraw/zinc/37/07/67/667370767.db2.gz SNBSJAKAKUBPIG-NWDGAFQWSA-N 0 0 316.398 0.757 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(Cl)n1 ZINC000706384312 667411809 /nfs/dbraw/zinc/41/18/09/667411809.db2.gz BECMXUMTAVPINT-VIFPVBQESA-N 0 0 317.798 0.937 10 0 DCAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)nc1 ZINC000706798366 667423612 /nfs/dbraw/zinc/42/36/12/667423612.db2.gz BLGZCFALEZRRAJ-IUCAKERBSA-N 0 0 301.140 0.724 10 0 DCAERN CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707834694 667441848 /nfs/dbraw/zinc/44/18/48/667441848.db2.gz LIAQHFFMZRFUPK-QWRGUYRKSA-N 0 0 301.412 0.604 10 0 DCAERN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@H](CO)C1 ZINC000710042741 667445904 /nfs/dbraw/zinc/44/59/04/667445904.db2.gz PDMGSKKHPYYRAL-XTZNXHDOSA-N 0 0 312.457 0.832 10 0 DCAERN OC[C@@H]1CCCN(Cc2nnnn2Cc2ccccc2)[C@@H]1CO ZINC000709790315 667445788 /nfs/dbraw/zinc/44/57/88/667445788.db2.gz AFKMDGUKOGEGBZ-LSDHHAIUSA-N 0 0 317.393 0.287 10 0 DCAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000711100077 667448970 /nfs/dbraw/zinc/44/89/70/667448970.db2.gz MSXNKOPYVMELNH-ZETCQYMHSA-N 0 0 316.770 0.482 10 0 DCAERN C[C@@H](O)[C@H](O)CNc1ccc(I)cn1 ZINC000717349165 667639061 /nfs/dbraw/zinc/63/90/61/667639061.db2.gz YEPAWIHACKGPTQ-HTRCEHHLSA-N 0 0 308.119 0.840 10 0 DCAERN CCOc1cc(N2CCC[C@@](O)(Cc3nncn3C)C2)ncn1 ZINC000886065789 667728128 /nfs/dbraw/zinc/72/81/28/667728128.db2.gz UMRIEMRWLGHMDO-OAHLLOKOSA-N 0 0 318.381 0.578 10 0 DCAERN C[C@@H](O)[C@@H](O)CNc1ncc(I)cn1 ZINC000717387675 667743755 /nfs/dbraw/zinc/74/37/55/667743755.db2.gz SZVPKFYTVXJKTF-VDTYLAMSSA-N 0 0 309.107 0.235 10 0 DCAERN CC[S@](=O)CCNC(=O)NCCCOC[C@@H]1CCOC1 ZINC000740917273 667754452 /nfs/dbraw/zinc/75/44/52/667754452.db2.gz MYUVKGUKQSSOJV-YUNKPMOVSA-N 0 0 306.428 0.497 10 0 DCAERN COc1ccc(Br)c(C(=O)NC[C@H](O)[C@@H](C)O)c1 ZINC000717412507 667789224 /nfs/dbraw/zinc/78/92/24/667789224.db2.gz KUAAPGSRFWFMKM-HQJQHLMTSA-N 0 0 318.167 0.929 10 0 DCAERN O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ncc2n1CCCC2 ZINC000886989016 667827707 /nfs/dbraw/zinc/82/77/07/667827707.db2.gz TUWPJSCYWDNLDC-CHWSQXEVSA-N 0 0 305.378 0.879 10 0 DCAERN CCOc1ccnc(N2CCN(C(=O)c3noc(C)n3)CC2)n1 ZINC000123643227 667827857 /nfs/dbraw/zinc/82/78/57/667827857.db2.gz GOHAHTBLYYPQGM-UHFFFAOYSA-N 0 0 318.337 0.529 10 0 DCAERN O=C(C[C@H]1CS(=O)(=O)CCN1)N1CCc2ccccc2C1 ZINC000126447551 668596345 /nfs/dbraw/zinc/59/63/45/668596345.db2.gz KUYHSWHQTINKNY-AWEZNQCLSA-N 0 0 308.403 0.348 10 0 DCAERN Cc1ccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)cc1F ZINC000126458288 668598522 /nfs/dbraw/zinc/59/85/22/668598522.db2.gz CYNNBKWXUMCOAU-NSHDSACASA-N 0 0 300.355 0.849 10 0 DCAERN Cc1ccccc1CN(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126496905 668614809 /nfs/dbraw/zinc/61/48/09/668614809.db2.gz KSBKYHRDBZUXKV-AWEZNQCLSA-N 0 0 310.419 0.730 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCOc2ccccc21 ZINC000126669088 668639854 /nfs/dbraw/zinc/63/98/54/668639854.db2.gz PXQURVYPMHXEME-LLVKDONJSA-N 0 0 310.375 0.189 10 0 DCAERN CN(CCc1cccs1)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000126853218 668671079 /nfs/dbraw/zinc/67/10/79/668671079.db2.gz IVCZJULNGMLPHT-LLVKDONJSA-N 0 0 316.448 0.526 10 0 DCAERN CCN1CCC[C@@H](NC(=O)N(CCS(C)(=O)=O)C(C)C)C1 ZINC000130948230 669647394 /nfs/dbraw/zinc/64/73/94/669647394.db2.gz LEAIJHCUGQWZDE-CYBMUJFWSA-N 0 0 319.471 0.935 10 0 DCAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCOC2(CCOCC2)C1 ZINC000131237257 669662702 /nfs/dbraw/zinc/66/27/02/669662702.db2.gz YZUWGVBFSMIFQJ-KBPBESRZSA-N 0 0 320.389 0.777 10 0 DCAERN Cn1ncc2c1nnn(C[C@H](O)c1cc(F)ccc1F)c2=O ZINC000133051930 669775125 /nfs/dbraw/zinc/77/51/25/669775125.db2.gz CWTSMFPITVLYBH-NSHDSACASA-N 0 0 307.260 0.537 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)Oc1ccc(F)cc1)c2=O ZINC000029082712 669777614 /nfs/dbraw/zinc/77/76/14/669777614.db2.gz MSVDILLTCFNYFE-UHFFFAOYSA-N 0 0 302.265 0.875 10 0 DCAERN NS(=O)(=O)c1ccc(CNC(=O)c2ccnc(F)c2)cc1 ZINC000041038842 669822431 /nfs/dbraw/zinc/82/24/31/669822431.db2.gz FFRTWJAKKPCWRU-UHFFFAOYSA-N 0 0 309.322 0.798 10 0 DCAERN C[C@H]1CN(C(=O)[C@@H]2CSC(=O)N2)CCN1CC(F)(F)F ZINC000155675251 669835048 /nfs/dbraw/zinc/83/50/48/669835048.db2.gz ZPHIBJZRRIEPGQ-YUMQZZPRSA-N 0 0 311.329 0.906 10 0 DCAERN O=S1(=O)CCN[C@@H](Cc2nc([C@@H]3CCCCS3)no2)C1 ZINC000157588579 669922582 /nfs/dbraw/zinc/92/25/82/669922582.db2.gz ZLOHSLRNSQDTQC-UWVGGRQHSA-N 0 0 317.436 0.957 10 0 DCAERN COc1ccccc1[C@H](O)CNS(=O)(=O)N(C)C(C)C ZINC000159372616 669936721 /nfs/dbraw/zinc/93/67/21/669936721.db2.gz YQKCVNKXOAIYAA-GFCCVEGCSA-N 0 0 302.396 0.903 10 0 DCAERN CC1(CNC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)OCCCO1 ZINC000191134876 669982814 /nfs/dbraw/zinc/98/28/14/669982814.db2.gz HYRYAYXVAHGAQL-CYBMUJFWSA-N 0 0 310.394 0.904 10 0 DCAERN C[C@@H](CNC(=O)NC[C@H](O)c1ccccc1)N1CCOCC1 ZINC000078432494 670030361 /nfs/dbraw/zinc/03/03/61/670030361.db2.gz AZCZUCOELNUGIT-ZFWWWQNUSA-N 0 0 307.394 0.740 10 0 DCAERN Cn1cc(CN2CC[C@H](CC(N)=O)C2)c(Br)n1 ZINC000713837893 670170558 /nfs/dbraw/zinc/17/05/58/670170558.db2.gz AWEQFTAKOGKTPG-MRVPVSSYSA-N 0 0 301.188 0.880 10 0 DCAERN Cn1cc(CN2CCN3C(=O)NC[C@@H]3C2)c(Br)n1 ZINC000713878730 670168320 /nfs/dbraw/zinc/16/83/20/670168320.db2.gz AAHZKHXCOQBLKZ-SECBINFHSA-N 0 0 314.187 0.392 10 0 DCAERN CNC(=O)[C@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713826906 670170174 /nfs/dbraw/zinc/17/01/74/670170174.db2.gz DZTCCYNDMCRZBE-QMMMGPOBSA-N 0 0 301.188 0.751 10 0 DCAERN Cn1cc(CN2CCC(C(N)=O)CC2)c(Br)n1 ZINC000713862366 670171023 /nfs/dbraw/zinc/17/10/23/670171023.db2.gz YBTRIAUHFJADSQ-UHFFFAOYSA-N 0 0 301.188 0.880 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000713987985 670173434 /nfs/dbraw/zinc/17/34/34/670173434.db2.gz JPIUGJKXLYZFIX-UHFFFAOYSA-N 0 0 318.782 0.656 10 0 DCAERN Cn1cc(CN2CCOC[C@H]2CCO)c(Br)n1 ZINC000714095632 670178067 /nfs/dbraw/zinc/17/80/67/670178067.db2.gz GMMWBBZMRHWYMJ-SNVBAGLBSA-N 0 0 304.188 0.766 10 0 DCAERN O=C(NCC[C@@H]1CCCS1(=O)=O)c1ccc(Cl)nn1 ZINC000714360153 670184709 /nfs/dbraw/zinc/18/47/09/670184709.db2.gz HTSNNKVHHSVDBD-QMMMGPOBSA-N 0 0 303.771 0.827 10 0 DCAERN COC(=O)C1(O)CN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000714465956 670189724 /nfs/dbraw/zinc/18/97/24/670189724.db2.gz ZSTPKXJKHVCAQJ-UHFFFAOYSA-N 0 0 305.739 0.248 10 0 DCAERN COC(=O)C1(O)CN(C(=O)c2csc(Br)n2)C1 ZINC000714503360 670190237 /nfs/dbraw/zinc/19/02/37/670190237.db2.gz GGXFBFVKTXQQOW-UHFFFAOYSA-N 0 0 321.152 0.266 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@H]2CCCC23OCCO3)no1 ZINC000715932750 670226310 /nfs/dbraw/zinc/22/63/10/670226310.db2.gz OYRINJDFLPBSQY-NSHDSACASA-N 0 0 302.352 0.698 10 0 DCAERN COC[C@](C)(CO)NC(=O)c1ccnc(Br)c1 ZINC000716805757 670273262 /nfs/dbraw/zinc/27/32/62/670273262.db2.gz YAINKBUJSLJSAW-NSHDSACASA-N 0 0 303.156 0.971 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@]2(CCO[C@@H]2CS(N)(=O)=O)C1 ZINC000757214201 670360252 /nfs/dbraw/zinc/36/02/52/670360252.db2.gz VNCZTSMMOJQUMR-MFKMUULPSA-N 0 0 320.411 0.691 10 0 DCAERN CC(C)(C)OC(=O)N1CC[C@@]2(CCO[C@@H]2CS(N)(=O)=O)C1 ZINC000757214202 670360492 /nfs/dbraw/zinc/36/04/92/670360492.db2.gz VNCZTSMMOJQUMR-ZWNOBZJWSA-N 0 0 320.411 0.691 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c(Cl)n1 ZINC000193902711 670376457 /nfs/dbraw/zinc/37/64/57/670376457.db2.gz PSJRJNRQBKUNAJ-VIFPVBQESA-N 0 0 317.798 0.943 10 0 DCAERN CCc1nnc(CSc2nnc(C(F)(F)F)n2N)n1C ZINC000194660497 670449759 /nfs/dbraw/zinc/44/97/59/670449759.db2.gz HPOIQUPAEMZQJG-UHFFFAOYSA-N 0 0 307.305 0.994 10 0 DCAERN COc1ccccc1[C@@H](O)CNC(=O)C(=O)c1cnn(C)c1 ZINC000195170542 670472031 /nfs/dbraw/zinc/47/20/31/670472031.db2.gz SGRWUDUZIDUVMN-LBPRGKRZSA-N 0 0 303.318 0.461 10 0 DCAERN C[C@@H]1C(=O)NCCCN1Cn1nc(-c2cccs2)oc1=O ZINC000190707965 670482123 /nfs/dbraw/zinc/48/21/23/670482123.db2.gz WXOPYFCLEAAPIY-SECBINFHSA-N 0 0 308.363 0.733 10 0 DCAERN CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccccc1 ZINC000195427903 670492004 /nfs/dbraw/zinc/49/20/04/670492004.db2.gz ZDHSYQTUMXVZPX-LBPRGKRZSA-N 0 0 310.379 0.902 10 0 DCAERN Cn1cc(-c2ncc(C(=O)NCCS(C)(=O)=O)s2)cn1 ZINC000112172112 670554870 /nfs/dbraw/zinc/55/48/70/670554870.db2.gz QIQQWTNXZDRTJH-UHFFFAOYSA-N 0 0 314.392 0.318 10 0 DCAERN COc1ccccc1OC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000011327281 670867896 /nfs/dbraw/zinc/86/78/96/670867896.db2.gz KCCYEJHNWRASRN-UHFFFAOYSA-N 0 0 314.301 0.744 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2cnc(-c3ccccc3)n2)C1 ZINC000117864225 671253424 /nfs/dbraw/zinc/25/34/24/671253424.db2.gz FDAAKJQTQKHAIP-ZDUSSCGKSA-N 0 0 321.406 0.526 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)OCCn2cncn2)c1 ZINC000111678024 671273282 /nfs/dbraw/zinc/27/32/82/671273282.db2.gz NWCYQULANUOESV-NSCUHMNNSA-N 0 0 301.306 0.289 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(CCOCC)[C@H](C)C1 ZINC000105835549 672236468 /nfs/dbraw/zinc/23/64/68/672236468.db2.gz QCUHBCROXCGZPN-CQSZACIVSA-N 0 0 306.472 0.854 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(CCOC)[C@H](CC)C1 ZINC000105837259 672236607 /nfs/dbraw/zinc/23/66/07/672236607.db2.gz DDJFNIVFBVSXTF-CQSZACIVSA-N 0 0 306.472 0.854 10 0 DCAERN CCS(=O)(=O)NCCNCc1nc(Br)c[nH]1 ZINC000390128821 685259610 /nfs/dbraw/zinc/25/96/10/685259610.db2.gz BHLBXGGVVQNSJS-UHFFFAOYSA-N 0 0 311.205 0.201 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC2(C1)OCCO2 ZINC000396547096 685270283 /nfs/dbraw/zinc/27/02/83/685270283.db2.gz RBHFHRCKUHNPTM-UHFFFAOYSA-N 0 0 307.759 0.211 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1nnc(C(C)(C)C)[nH]1 ZINC000458030318 685290270 /nfs/dbraw/zinc/29/02/70/685290270.db2.gz XDFPRMSGIUENOD-VIFPVBQESA-N 0 0 311.411 0.640 10 0 DCAERN CN1CCN(S(=O)(=O)CCC(C)(C)C2CC2)[C@H](CO)C1 ZINC000718013157 685304717 /nfs/dbraw/zinc/30/47/17/685304717.db2.gz DQKPPUSSQOPKDK-ZDUSSCGKSA-N 0 0 304.456 0.751 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CSC2)C1 ZINC000718436574 685305291 /nfs/dbraw/zinc/30/52/91/685305291.db2.gz VCIIYZUIHFOPEH-GXSJLCMTSA-N 0 0 316.423 0.693 10 0 DCAERN CO[C@]1(CNC(=O)c2ccc(Cl)nc2)CCS(=O)(=O)C1 ZINC000720847767 685316328 /nfs/dbraw/zinc/31/63/28/685316328.db2.gz SDAHKAGGYMMVJC-LBPRGKRZSA-N 0 0 318.782 0.669 10 0 DCAERN CO[C@@]1(CNC(=O)c2cccnc2Cl)CCS(=O)(=O)C1 ZINC000720850163 685316453 /nfs/dbraw/zinc/31/64/53/685316453.db2.gz ZTJBCPTXIGWMHR-GFCCVEGCSA-N 0 0 318.782 0.669 10 0 DCAERN CO[C@@]1(C(=O)NCc2cn(C)nc2Br)CCOC1 ZINC000720059369 685311812 /nfs/dbraw/zinc/31/18/12/685311812.db2.gz BOXPTWPIDFMVAM-NSHDSACASA-N 0 0 318.171 0.604 10 0 DCAERN C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720482229 685313830 /nfs/dbraw/zinc/31/38/30/685313830.db2.gz KAOVKXMMABNUDW-MXWKQRLJSA-N 0 0 301.412 0.681 10 0 DCAERN CO[C@@H]1CN(C(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCO1 ZINC000722613783 685319829 /nfs/dbraw/zinc/31/98/29/685319829.db2.gz BIXRVMWBKHGHKU-QWRGUYRKSA-N 0 0 300.355 0.827 10 0 DCAERN Cc1ccc2[nH]cc(CCC(=O)NN3CC(=O)NC3=O)c2c1 ZINC000074823633 685076298 /nfs/dbraw/zinc/07/62/98/685076298.db2.gz XNERDVTVPJKMQM-UHFFFAOYSA-N 0 0 300.318 0.992 10 0 DCAERN CCC1(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)COC1 ZINC000084851404 685088140 /nfs/dbraw/zinc/08/81/40/685088140.db2.gz PEYRUCJNQIDTIS-AATRIKPKSA-N 0 0 308.334 0.067 10 0 DCAERN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CCS(C)(=O)=O ZINC000087887695 685091111 /nfs/dbraw/zinc/09/11/11/685091111.db2.gz YGCUUXBIWXENDI-JTQLQIEISA-N 0 0 310.375 0.791 10 0 DCAERN O=C(N[C@@H]1CCC(=O)NC1=O)c1cc(Cl)nc(Cl)c1 ZINC000090014888 685101806 /nfs/dbraw/zinc/10/18/06/685101806.db2.gz BEBPSFRBKHDCCG-ZCFIWIBFSA-N 0 0 302.117 0.923 10 0 DCAERN CO[C@]1(CNC(=O)C(=O)NCc2ccccc2)CCSC1 ZINC000096364644 685111875 /nfs/dbraw/zinc/11/18/75/685111875.db2.gz JIPHPGLUKSXUFP-HNNXBMFYSA-N 0 0 308.403 0.941 10 0 DCAERN CN(CC1CC(O)C1)C(=O)CCn1nc2ccccn2c1=O ZINC000135353810 685121498 /nfs/dbraw/zinc/12/14/98/685121498.db2.gz GSDDOUQTPPHXGM-UHFFFAOYSA-N 0 0 304.350 0.115 10 0 DCAERN CC(=O)N1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000141381212 685126768 /nfs/dbraw/zinc/12/67/68/685126768.db2.gz UJOJCMKUOQKWRM-UHFFFAOYSA-N 0 0 313.361 0.962 10 0 DCAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000151363148 685132361 /nfs/dbraw/zinc/13/23/61/685132361.db2.gz JDSJNHBIZJNIAE-HUUCEWRRSA-N 0 0 301.390 0.728 10 0 DCAERN CN1CCN(C(=O)Cn2cc(NC(=O)C3=CCCC3)cn2)CC1 ZINC000155187223 685135375 /nfs/dbraw/zinc/13/53/75/685135375.db2.gz KBDAQTUYKRTGJG-UHFFFAOYSA-N 0 0 317.393 0.706 10 0 DCAERN CN(C[C@H]1CCCO1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000245440165 685156994 /nfs/dbraw/zinc/15/69/94/685156994.db2.gz UHFDRFMVOQXQNJ-ZIAGYGMSSA-N 0 0 320.393 0.406 10 0 DCAERN C[C@@H]1C[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000246170820 685161620 /nfs/dbraw/zinc/16/16/20/685161620.db2.gz CLDKJRJCVSAWAD-SIVJFFJCSA-N 0 0 301.346 0.978 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCO[C@H](C)C1 ZINC000246163787 685161654 /nfs/dbraw/zinc/16/16/54/685161654.db2.gz IJTHMRKLAJRRJI-VXGBXAGGSA-N 0 0 300.399 0.896 10 0 DCAERN C[C@H](O)CN1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1C ZINC000248667826 685176105 /nfs/dbraw/zinc/17/61/05/685176105.db2.gz AFIHYADILOCNLP-QWRGUYRKSA-N 0 0 316.352 0.675 10 0 DCAERN CC(C)[C@@H]1CN(S(=O)(=O)c2cnc(N)nc2)CCCO1 ZINC000378860395 685235033 /nfs/dbraw/zinc/23/50/33/685235033.db2.gz OWUTZSHKIWFIKX-NSHDSACASA-N 0 0 300.384 0.325 10 0 DCAERN O=C(c1ccc(Br)cn1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388032616 1158967639 /nfs/dbraw/zinc/96/76/39/1158967639.db2.gz JKZZIZXIKOBQGM-OCAPTIKFSA-N 0 0 324.134 0.189 10 0 DCAERN Nc1ccc(Br)cc1C(=O)NCCn1ncnn1 ZINC000380155283 1158003280 /nfs/dbraw/zinc/00/32/80/1158003280.db2.gz JMXFUTYFBSRQDX-UHFFFAOYSA-N 0 0 311.143 0.448 10 0 DCAERN CNC(=O)C1CN(C(=O)c2cc(Br)ccc2N)C1 ZINC000382004737 1158128135 /nfs/dbraw/zinc/12/81/35/1158128135.db2.gz VOUSZQFFDKLCDC-UHFFFAOYSA-N 0 0 312.167 0.849 10 0 DCAERN CCC(=O)N1CC[C@@H](NC(=O)C[C@H](C)N2CCCCC2=O)C1 ZINC000332726860 1158245478 /nfs/dbraw/zinc/24/54/78/1158245478.db2.gz UVCHDUXOWNMBPC-QWHCGFSZSA-N 0 0 309.410 0.905 10 0 DCAERN CN(CC(N)=O)C(=O)c1cc(F)c(Br)cc1N ZINC000383093735 1158265439 /nfs/dbraw/zinc/26/54/39/1158265439.db2.gz XWUMLGKETHDYDW-UHFFFAOYSA-N 0 0 304.119 0.728 10 0 DCAERN COc1ccc(CN(C)S(=O)(=O)c2cnc(N)nc2)cc1 ZINC000050672472 1171734976 /nfs/dbraw/zinc/73/49/76/1171734976.db2.gz CLUIDLZXKYKBQF-UHFFFAOYSA-N 0 0 308.363 0.888 10 0 DCAERN CC(=O)N1CCC(NC(=O)CNC(=O)NCc2ccco2)CC1 ZINC000056179028 1171901036 /nfs/dbraw/zinc/90/10/36/1171901036.db2.gz PXFNCAPMTCISEL-UHFFFAOYSA-N 0 0 322.365 0.206 10 0 DCAERN COCCCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000062108220 1172379806 /nfs/dbraw/zinc/37/98/06/1172379806.db2.gz OBGHUGSVDRRDTO-UHFFFAOYSA-N 0 0 300.336 0.826 10 0 DCAERN CS(=O)(=O)CCNC(=O)CCc1nc(-c2ccncc2)no1 ZINC000078746154 1174260488 /nfs/dbraw/zinc/26/04/88/1174260488.db2.gz JAYALUZBKUVTFK-UHFFFAOYSA-N 0 0 324.362 0.225 10 0 DCAERN Cc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2=O)c(Cl)c1 ZINC000089756304 1175345771 /nfs/dbraw/zinc/34/57/71/1175345771.db2.gz HSOMKSBDAJRWPF-SECBINFHSA-N 0 0 316.766 0.732 10 0 DCAERN NC(=O)NCCNC(=O)c1cccc(F)c1Br ZINC000132915358 1177528427 /nfs/dbraw/zinc/52/84/27/1177528427.db2.gz UUYNDDHDJVXCPI-UHFFFAOYSA-N 0 0 304.119 0.986 10 0 DCAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000152757237 1180545513 /nfs/dbraw/zinc/54/55/13/1180545513.db2.gz XIGUMXCGMOEXMA-STQMWFEESA-N 0 0 309.410 0.523 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(F)c2N)C1 ZINC000156103931 1180556447 /nfs/dbraw/zinc/55/64/47/1180556447.db2.gz PHSRRALKQACSNV-SECBINFHSA-N 0 0 315.370 0.562 10 0 DCAERN COCCC(=O)N1CCC(NC(=O)Cc2c(C)noc2C)CC1 ZINC000158057733 1180563924 /nfs/dbraw/zinc/56/39/24/1180563924.db2.gz QMVPCNUXHFDMPZ-UHFFFAOYSA-N 0 0 323.393 0.978 10 0 DCAERN Cc1noc([C@H](NC(=O)N(C[C@@H](C)O)[C@H](C)CO)C(C)C)n1 ZINC000249095732 1183454009 /nfs/dbraw/zinc/45/40/09/1183454009.db2.gz OJBLQHKYSZNLTG-CKYFFXLPSA-N 0 0 314.386 0.848 10 0 DCAERN CC(=O)N1CCC(CNC(=O)CS(=O)(=O)CC(C)C)CC1 ZINC000170895658 1183694852 /nfs/dbraw/zinc/69/48/52/1183694852.db2.gz YJDYZCNOWZHHSS-UHFFFAOYSA-N 0 0 318.439 0.432 10 0 DCAERN CC(C)(CCS(C)(=O)=O)NC(=O)Cn1nnc2ccccc21 ZINC000173290998 1183889053 /nfs/dbraw/zinc/88/90/53/1183889053.db2.gz OKXLWJLGAAHLCR-UHFFFAOYSA-N 0 0 324.406 0.761 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000177005721 1184225094 /nfs/dbraw/zinc/22/50/94/1184225094.db2.gz CQGIFNZGQGPXST-WCQYABFASA-N 0 0 313.361 0.701 10 0 DCAERN CC(C)C(=O)NCCN(C)C(=O)Cn1nnc2ccccc21 ZINC000179296744 1185163724 /nfs/dbraw/zinc/16/37/24/1185163724.db2.gz KKGONSFCERCSCY-UHFFFAOYSA-N 0 0 303.366 0.662 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCCC2(C1)OCCO2 ZINC000179426985 1185165449 /nfs/dbraw/zinc/16/54/49/1185165449.db2.gz GSTNPWXRNUFCBG-UHFFFAOYSA-N 0 0 302.334 0.797 10 0 DCAERN Cc1noc([C@H](NC(=O)N2C[C@H](C)O[C@H](CO)C2)C(C)C)n1 ZINC000189578800 1187936713 /nfs/dbraw/zinc/93/67/13/1187936713.db2.gz KLOHXIZANJQYGJ-ZMLRMANQSA-N 0 0 312.370 0.866 10 0 DCAERN O=C(Cn1nnc2ccccc21)N1CCN(c2cnccn2)CC1 ZINC000193180235 1187983054 /nfs/dbraw/zinc/98/30/54/1187983054.db2.gz AORZGJJFIWXYTO-UHFFFAOYSA-N 0 0 323.360 0.570 10 0 DCAERN CCN(CCOC)C(=O)c1ccc(S(C)(=O)=O)cc1N ZINC000307907802 1190385330 /nfs/dbraw/zinc/38/53/30/1190385330.db2.gz UNWKQPXNIRCIBR-UHFFFAOYSA-N 0 0 300.380 0.781 10 0 DCAERN CN(C)S(=O)(=O)C[C@@H](NC[C@@H](O)C1CC1)C(F)(F)F ZINC000311842001 1190393282 /nfs/dbraw/zinc/39/32/82/1190393282.db2.gz NLGVNWZDVPWSAQ-RKDXNWHRSA-N 0 0 304.334 0.169 10 0 DCAERN CCC1(CNS(=O)(=O)c2cnc(N)nc2)CCOCC1 ZINC000312593207 1190393902 /nfs/dbraw/zinc/39/39/02/1190393902.db2.gz XGBPYBUFVHPWDS-UHFFFAOYSA-N 0 0 300.384 0.544 10 0 DCAERN CC1(C)[C@@H](O)CCN1C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000313340501 1190395753 /nfs/dbraw/zinc/39/57/53/1190395753.db2.gz MKJLJAOQSNZWEF-NSHDSACASA-N 0 0 304.412 0.030 10 0 DCAERN O=C(c1ccc(Br)nc1)N1C[C@H](O)[C@H](CO)C1 ZINC000316745707 1190416402 /nfs/dbraw/zinc/41/64/02/1190416402.db2.gz YJPNUTNSIMFTMG-IUCAKERBSA-N 0 0 301.140 0.269 10 0 DCAERN Cc1noc(CCNC(=O)c2cnn(C)c2Br)n1 ZINC000386591003 1190699682 /nfs/dbraw/zinc/69/96/82/1190699682.db2.gz DHMJTVSFPZHMBW-UHFFFAOYSA-N 0 0 314.143 0.847 10 0 DCAERN Nc1ncn(CC(=O)NCc2ccn(Cc3ccccc3)n2)n1 ZINC000389669477 1190700297 /nfs/dbraw/zinc/70/02/97/1190700297.db2.gz KQYYDWROFRVKIH-UHFFFAOYSA-N 0 0 311.349 0.252 10 0 DCAERN O=C(CCn1nc2ccccn2c1=O)NC[C@H]1CC[C@@H](O)C1 ZINC000191152602 764748905 /nfs/dbraw/zinc/74/89/05/764748905.db2.gz QFSQLUJQHBLOTD-NWDGAFQWSA-N 0 0 304.350 0.163 10 0 DCAERN COCCCNC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000170338853 769361831 /nfs/dbraw/zinc/36/18/31/769361831.db2.gz ORWHTRTYPVXXDN-LLVKDONJSA-N 0 0 308.334 0.095 10 0 DCAERN CC[C@@H]1CO[C@@H](CC)CN1S(=O)(=O)c1cnc(N)nc1 ZINC000403800501 774114793 /nfs/dbraw/zinc/11/47/93/774114793.db2.gz FWUSGAOSXMLPBO-ZJUUUORDSA-N 0 0 300.384 0.467 10 0 DCAERN CC(C)(CNS(=O)(=O)c1cccc(N)c1)CS(C)(=O)=O ZINC000723851206 946589833 /nfs/dbraw/zinc/58/98/33/946589833.db2.gz USEPJVDUZGZSTI-UHFFFAOYSA-N 0 0 320.436 0.618 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000690816780 954676708 /nfs/dbraw/zinc/67/67/08/954676708.db2.gz DZOMBIICMWAAHN-RYUDHWBXSA-N 0 0 304.412 0.455 10 0 DCAERN CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2C(=O)[O-])C1 ZINC000690728659 976330226 /nfs/dbraw/zinc/33/02/26/976330226.db2.gz VUQXAEUFZXXYFS-VIFPVBQESA-N 0 0 318.420 0.817 10 0 DCAERN CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCSC[C@H]2CC(=O)[O-])C1 ZINC000690831706 976337527 /nfs/dbraw/zinc/33/75/27/976337527.db2.gz PZPUCUYBFXKHOG-GHMZBOCLSA-N 0 0 322.452 0.160 10 0 DCAERN CC(C)(C)OC(=O)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000074603165 185001670 /nfs/dbraw/zinc/00/16/70/185001670.db2.gz ZZTJVPMHQWQUIJ-UHFFFAOYSA-N 0 0 310.354 0.332 10 0 DCAERN Cn1cnc2c(c1=O)CCN(C(=O)c1cccc3cn[nH]c31)C2 ZINC000328628974 231263725 /nfs/dbraw/zinc/26/37/25/231263725.db2.gz OHDHHJDTUAHCKG-UHFFFAOYSA-N 0 0 309.329 0.855 10 0 DCAERN Cc1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)cc(=O)[nH]1 ZINC000328631878 231265938 /nfs/dbraw/zinc/26/59/38/231265938.db2.gz RMLIOWWJBFYIGT-UHFFFAOYSA-N 0 0 300.318 0.388 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OC)nn1 ZINC000088196777 185241610 /nfs/dbraw/zinc/24/16/10/185241610.db2.gz IIJLKPNJAVSZOV-SECBINFHSA-N 0 0 302.338 0.904 10 0 DCAERN C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278960494 214530124 /nfs/dbraw/zinc/53/01/24/214530124.db2.gz NLCNGFZFQNCIPL-MEBBXXQBSA-N 0 0 321.402 0.605 10 0 DCAERN C[C@H](C(=O)Nc1c[nH]cc(Br)c1=O)S(C)(=O)=O ZINC000089990449 185275331 /nfs/dbraw/zinc/27/53/31/185275331.db2.gz VCEOZEKXUNNZLH-RXMQYKEDSA-N 0 0 323.168 0.509 10 0 DCAERN NC(=O)c1noc(C(=O)c2ccccc2)c1N1CCOCC1 ZINC000090585945 185305170 /nfs/dbraw/zinc/30/51/70/185305170.db2.gz QXMQSIGANLGELN-UHFFFAOYSA-N 0 0 301.302 0.841 10 0 DCAERN COC[C@H](O)CN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000126596306 293176175 /nfs/dbraw/zinc/17/61/75/293176175.db2.gz JBVWAFKFOLQYOO-DZGCQCFKSA-N 0 0 313.442 0.059 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)NCC(=O)N(C)C)CC2 ZINC000181403280 199292288 /nfs/dbraw/zinc/29/22/88/199292288.db2.gz ZEJUTYNMBZROGH-JTQLQIEISA-N 0 0 308.386 0.104 10 0 DCAERN CCc1nc(CN2CCN(c3ccncc3C(N)=O)CC2)no1 ZINC000302126082 529736929 /nfs/dbraw/zinc/73/69/29/529736929.db2.gz AOGDEMMWZQNZMK-UHFFFAOYSA-N 0 0 316.365 0.448 10 0 DCAERN CCc1nc(CNC(=O)N(C[C@@H](C)O)[C@H](C)CO)cs1 ZINC000190527023 529737912 /nfs/dbraw/zinc/73/79/12/529737912.db2.gz PHVDNRFWFKBXLF-NXEZZACHSA-N 0 0 301.412 0.979 10 0 DCAERN O=S(=O)(C[C@@H]1CCCCO1)N[C@@H]1CCCn2ncnc21 ZINC000097013319 185396835 /nfs/dbraw/zinc/39/68/35/185396835.db2.gz XJZJTFFLMDJVRW-WDEREUQCSA-N 0 0 300.384 0.602 10 0 DCAERN CC(C)OCCS(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000097012797 185397067 /nfs/dbraw/zinc/39/70/67/185397067.db2.gz BJEOONPGHINQPZ-ZDUSSCGKSA-N 0 0 317.411 0.548 10 0 DCAERN CNC(=O)CC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000186885337 529844467 /nfs/dbraw/zinc/84/44/67/529844467.db2.gz JSEDGNUBELQIRN-UHFFFAOYSA-N 0 0 323.780 0.647 10 0 DCAERN CNC(=O)[C@H](NC(=O)NCCNC(=O)c1ccco1)C(C)C ZINC000178397660 529919650 /nfs/dbraw/zinc/91/96/50/529919650.db2.gz BUUPCLYRDLSFPO-LLVKDONJSA-N 0 0 310.354 0.079 10 0 DCAERN COCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000106902214 185461500 /nfs/dbraw/zinc/46/15/00/185461500.db2.gz QRMXLTJVZFFWLW-AWEZNQCLSA-N 0 0 307.394 0.038 10 0 DCAERN COc1ccc([C@H](C)C(=O)N2CCN(CC(N)=O)CC2)cc1 ZINC000107572132 185484231 /nfs/dbraw/zinc/48/42/31/185484231.db2.gz JJJMFHOOMVSPBI-LBPRGKRZSA-N 0 0 305.378 0.428 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)CCCOC)C1 ZINC000111341066 185584422 /nfs/dbraw/zinc/58/44/22/185584422.db2.gz AJJHIGLHDWKIHG-LBPRGKRZSA-N 0 0 316.427 0.844 10 0 DCAERN CO[C@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(C)nc2)C1 ZINC000560894881 288521613 /nfs/dbraw/zinc/52/16/13/288521613.db2.gz IRXQUVKOVFKCQN-KBPBESRZSA-N 0 0 305.378 0.732 10 0 DCAERN C[C@@H]1CN(C(=O)Cn2cnc3c2ncnc3N)C[C@H](C2CC2)O1 ZINC000279910415 215230073 /nfs/dbraw/zinc/23/00/73/215230073.db2.gz IHBFEIKTIBAVPX-MWLCHTKSSA-N 0 0 316.365 0.434 10 0 DCAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000171488340 186167769 /nfs/dbraw/zinc/16/77/69/186167769.db2.gz ALQNATAIIBTMDP-GFCCVEGCSA-N 0 0 324.402 0.749 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCOCC3)C2=O)n(C)n1 ZINC000173319739 186176341 /nfs/dbraw/zinc/17/63/41/186176341.db2.gz GSFGYRRPQBTATP-LBPRGKRZSA-N 0 0 321.381 0.266 10 0 DCAERN C[C@@H]1CN(C(=O)NCCc2cccnc2)C[C@H]1N1CCOCC1 ZINC000175653229 186185208 /nfs/dbraw/zinc/18/52/08/186185208.db2.gz UGVMNZTYNZZRMU-GDBMZVCRSA-N 0 0 318.421 0.986 10 0 DCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181865857 186212508 /nfs/dbraw/zinc/21/25/08/186212508.db2.gz YXBDJUIBEIKOQJ-MRVPVSSYSA-N 0 0 323.296 0.739 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 ZINC000177910697 186202484 /nfs/dbraw/zinc/20/24/84/186202484.db2.gz JVUZYGLBWMGANL-AWEZNQCLSA-N 0 0 319.405 0.849 10 0 DCAERN NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000179686477 186205335 /nfs/dbraw/zinc/20/53/35/186205335.db2.gz HAIDHIMVOOKUKL-ZDUSSCGKSA-N 0 0 310.375 0.050 10 0 DCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000179686971 186205717 /nfs/dbraw/zinc/20/57/17/186205717.db2.gz DWLHDVUAXSMOKI-SECBINFHSA-N 0 0 322.745 0.354 10 0 DCAERN CCS(=O)(=O)NCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000253394586 186304159 /nfs/dbraw/zinc/30/41/59/186304159.db2.gz GVKSXEMSIJZUPF-KGLIPLIRSA-N 0 0 316.398 0.873 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3COCCO3)CCO2)n1 ZINC000171859457 197996751 /nfs/dbraw/zinc/99/67/51/197996751.db2.gz HMMOGVWFEJUEIH-ZIAGYGMSSA-N 0 0 309.366 0.143 10 0 DCAERN C[C@@H](NC(=O)CNC(=O)c1ccccn1)[C@@H](C)N1CCOCC1 ZINC000172541599 198112755 /nfs/dbraw/zinc/11/27/55/198112755.db2.gz KCCUMGDHIUNHPL-CHWSQXEVSA-N 0 0 320.393 0.037 10 0 DCAERN CC(C)(C)[S@](=O)CCNC(=O)CNC(=O)c1ccccn1 ZINC000172548071 198113557 /nfs/dbraw/zinc/11/35/57/198113557.db2.gz VXPFEZNMJDGTCW-OAQYLSRUSA-N 0 0 311.407 0.475 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccccn3)C2)cn1 ZINC000172552120 198113751 /nfs/dbraw/zinc/11/37/51/198113751.db2.gz GJNHQFBETCYGFU-GFCCVEGCSA-N 0 0 313.361 0.561 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000172604575 198122419 /nfs/dbraw/zinc/12/24/19/198122419.db2.gz BXLSFTBOWPXJQS-SNVBAGLBSA-N 0 0 321.395 0.774 10 0 DCAERN CN1C[C@@H](NC(=O)N[C@@H](CO)Cc2ccccc2)CCC1=O ZINC000172618144 198126186 /nfs/dbraw/zinc/12/61/86/198126186.db2.gz UOJQXDXGZCPAQS-UONOGXRCSA-N 0 0 305.378 0.510 10 0 DCAERN CCc1nnc(CC)n1-n1ccc2c(c(C)nc3ncnn32)c1=O ZINC000072449362 191169817 /nfs/dbraw/zinc/16/98/17/191169817.db2.gz NDXIVQJVYSDMLA-UHFFFAOYSA-N 0 0 324.348 0.775 10 0 DCAERN COC(=O)Cc1nn(C)c2c1nnc1nc(-c3cccnc3)nn12 ZINC000072462362 191172345 /nfs/dbraw/zinc/17/23/45/191172345.db2.gz HBHDRNBGYFKILI-UHFFFAOYSA-N 0 0 324.304 0.184 10 0 DCAERN Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)C3)C2=O)cc1 ZINC000172734489 198143288 /nfs/dbraw/zinc/14/32/88/198143288.db2.gz UQHZEEXMZDSUQN-GXTWGEPZSA-N 0 0 315.373 0.743 10 0 DCAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCNC(=O)C1 ZINC000172940997 198169763 /nfs/dbraw/zinc/16/97/63/198169763.db2.gz UQNPGOCBEIMMJB-NWDGAFQWSA-N 0 0 302.330 0.520 10 0 DCAERN COCCOC[C@@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 ZINC000173201323 198194101 /nfs/dbraw/zinc/19/41/01/198194101.db2.gz VWINUUJNKXSSGS-CQSZACIVSA-N 0 0 310.398 0.886 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Cc3cc[nH]n3)CCO2)n1 ZINC000173273140 198204442 /nfs/dbraw/zinc/20/44/42/198204442.db2.gz FMFAINHEUSDLMS-CQSZACIVSA-N 0 0 303.366 0.693 10 0 DCAERN Cc1nc(CNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000173546154 198225634 /nfs/dbraw/zinc/22/56/34/198225634.db2.gz LPKANJRAXIFZLG-GFCCVEGCSA-N 0 0 321.381 0.826 10 0 DCAERN C[C@@H](C(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000173829375 198257807 /nfs/dbraw/zinc/25/78/07/198257807.db2.gz HUGNXJIQIJGNDB-GFCCVEGCSA-N 0 0 311.407 0.679 10 0 DCAERN C[NH+](C)[C@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 ZINC000173977626 198275273 /nfs/dbraw/zinc/27/52/73/198275273.db2.gz VHACSYKJLVABQX-HNNXBMFYSA-N 0 0 317.437 0.366 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@@H]1N1CCOCC1 ZINC000173973406 198275481 /nfs/dbraw/zinc/27/54/81/198275481.db2.gz HUFQETAETSPBFZ-ABAIWWIYSA-N 0 0 315.377 0.751 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)COc2cccc(C=O)c2)C[C@@H]1C ZINC000174332582 198321472 /nfs/dbraw/zinc/32/14/72/198321472.db2.gz NUOIOZRBGJYMDE-UONOGXRCSA-N 0 0 320.389 0.791 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)NCCNC(=O)c1ccccc1 ZINC000182150280 199394079 /nfs/dbraw/zinc/39/40/79/199394079.db2.gz XVTWLPZXEGHWGH-MQJDWESPSA-N 0 0 311.407 0.483 10 0 DCAERN Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)n1 ZINC000174771614 198382344 /nfs/dbraw/zinc/38/23/44/198382344.db2.gz JMLUGRXCDALKCZ-HUUCEWRRSA-N 0 0 322.409 0.058 10 0 DCAERN COCCN1C[C@@H](C(=O)NCc2ccc(Cl)cn2)CC1=O ZINC000182165997 199396374 /nfs/dbraw/zinc/39/63/74/199396374.db2.gz JGFKZIHFNXVWAJ-JTQLQIEISA-N 0 0 311.769 0.846 10 0 DCAERN Cc1nc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCO3)no1 ZINC000175226687 198447061 /nfs/dbraw/zinc/44/70/61/198447061.db2.gz OJGGWVSDSCTKSA-UHFFFAOYSA-N 0 0 316.317 0.958 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCC(=O)c4cccn43)C[C@@H]21 ZINC000328915663 282992469 /nfs/dbraw/zinc/99/24/69/282992469.db2.gz QWPWNTBBCHIAFD-IJEWVQPXSA-N 0 0 317.389 0.937 10 0 DCAERN CN1CCO[C@@H]2CN(C(=O)N[C@H]3COCc4ccccc43)C[C@@H]21 ZINC000333509613 283005064 /nfs/dbraw/zinc/00/50/64/283005064.db2.gz IXBPBVWFELPXTF-HRCADAONSA-N 0 0 317.389 0.982 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)NCc1cnn(C)c1 ZINC000182791747 199490939 /nfs/dbraw/zinc/49/09/39/199490939.db2.gz BXRLIYUOINYCCA-UHFFFAOYSA-N 0 0 306.326 0.652 10 0 DCAERN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)[C@@H]1CCCO1 ZINC000156662785 299224628 /nfs/dbraw/zinc/22/46/28/299224628.db2.gz JWAXJYNPOLLXEK-DCAQKATOSA-N 0 0 306.428 0.634 10 0 DCAERN CCOC(=O)CNC(=O)CSc1nc(C)c(CC)c(=O)[nH]1 ZINC000005021649 181191785 /nfs/dbraw/zinc/19/17/85/181191785.db2.gz ZRZPFSGRQLGKKG-UHFFFAOYSA-N 0 0 313.379 0.412 10 0 DCAERN O=C(CNC(=O)N(CCO)Cc1ccccc1)NCC1CC1 ZINC000183795353 199644244 /nfs/dbraw/zinc/64/42/44/199644244.db2.gz BYSDGHLTXMBNGW-UHFFFAOYSA-N 0 0 305.378 0.717 10 0 DCAERN COC(=O)C1(CNC(=O)[C@H]2CCCc3n[nH]cc32)CCOCC1 ZINC000183805695 199645202 /nfs/dbraw/zinc/64/52/02/199645202.db2.gz IHWXVJACQCUKIM-NSHDSACASA-N 0 0 321.377 0.916 10 0 DCAERN COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(N)=O ZINC000005115715 181204932 /nfs/dbraw/zinc/20/49/32/181204932.db2.gz LPLBKXARLUPNDA-UHFFFAOYSA-N 0 0 303.322 0.348 10 0 DCAERN CN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccccc1 ZINC000332753229 283130064 /nfs/dbraw/zinc/13/00/64/283130064.db2.gz GLSGNWNSNJJYHC-SOUVJXGZSA-N 0 0 322.430 0.983 10 0 DCAERN CC(C)[C@@H](C)NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000080158907 192006757 /nfs/dbraw/zinc/00/67/57/192006757.db2.gz NJOFQATVZOHGAV-GFCCVEGCSA-N 0 0 323.397 0.908 10 0 DCAERN CCCCNC(=O)NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000081050059 192218531 /nfs/dbraw/zinc/21/85/31/192218531.db2.gz QSDPJWVRHQYEBD-NSHDSACASA-N 0 0 311.304 0.611 10 0 DCAERN CC(C)[C@@H](NC(=O)N[C@H]1CCCN(c2ncccn2)C1)C(N)=O ZINC000184473291 199721182 /nfs/dbraw/zinc/72/11/82/199721182.db2.gz UKUFAPOCSVEMIK-NWDGAFQWSA-N 0 0 320.397 0.255 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 ZINC000081579659 192296611 /nfs/dbraw/zinc/29/66/11/192296611.db2.gz ZAZODYBKXSMKBW-CYBMUJFWSA-N 0 0 324.348 0.827 10 0 DCAERN COCCN1C[C@@H](C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1=O ZINC000081589049 192298686 /nfs/dbraw/zinc/29/86/86/192298686.db2.gz HQUDYHASXWHJQM-NWDGAFQWSA-N 0 0 321.381 0.033 10 0 DCAERN C[C@@H](CN1CCOCC1)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333220965 295929916 /nfs/dbraw/zinc/92/99/16/295929916.db2.gz WNTQQXIOFRYDBH-RFQIPJPRSA-N 0 0 302.440 0.815 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000179281264 199009620 /nfs/dbraw/zinc/00/96/20/199009620.db2.gz YQIBZKDXGGQXRF-AWEZNQCLSA-N 0 0 315.373 0.929 10 0 DCAERN CC[C@H]1CN(C(=O)Nc2cnn(CC(=O)NC)c2)C[C@H](C)O1 ZINC000179438255 199035801 /nfs/dbraw/zinc/03/58/01/199035801.db2.gz CVOKWWKXCMYCPP-JQWIXIFHSA-N 0 0 309.370 0.660 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000179408467 199029798 /nfs/dbraw/zinc/02/97/98/199029798.db2.gz LPHASOIPWQHVGX-CQSZACIVSA-N 0 0 305.378 0.314 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccc(O)cc2O)C[C@@H]1N1CCOCC1 ZINC000179524219 199050556 /nfs/dbraw/zinc/05/05/56/199050556.db2.gz ZCRZKFUXOLEWLN-RISCZKNCSA-N 0 0 306.362 0.891 10 0 DCAERN Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(N)=O)[nH]n2)o1 ZINC000180208719 199130536 /nfs/dbraw/zinc/13/05/36/199130536.db2.gz HTVJBKTYCWDRKZ-NSHDSACASA-N 0 0 304.306 0.304 10 0 DCAERN C[C@@H](CNC(=O)N(C)[C@@H](C)c1cnn(C)c1)N1CCOCC1 ZINC000180322923 199145528 /nfs/dbraw/zinc/14/55/28/199145528.db2.gz ZKPUVOYLXQFLPT-STQMWFEESA-N 0 0 309.414 0.843 10 0 DCAERN COCCCOCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000180448855 199160820 /nfs/dbraw/zinc/16/08/20/199160820.db2.gz NXSQJWBZGBOGKW-UHFFFAOYSA-N 0 0 308.382 0.568 10 0 DCAERN C[C@H](c1cnn(C)c1)N(C)CC(=O)NCC(=O)N1CCCC1 ZINC000180419338 199156126 /nfs/dbraw/zinc/15/61/26/199156126.db2.gz DCOCVUKBQCYODQ-GFCCVEGCSA-N 0 0 307.398 0.152 10 0 DCAERN O=C1NC(=O)[C@H](Cc2nc(-c3ccc4c(c3)CCO4)no2)N1 ZINC000180803704 199210956 /nfs/dbraw/zinc/21/09/56/199210956.db2.gz GRLWOVWKILJXQP-VIFPVBQESA-N 0 0 300.274 0.422 10 0 DCAERN COc1ccc(C(=O)N[C@@H]2CCCOC2)cc1-n1cnnn1 ZINC000180943945 199231470 /nfs/dbraw/zinc/23/14/70/199231470.db2.gz GEAGPYKGORNDEG-LLVKDONJSA-N 0 0 303.322 0.580 10 0 DCAERN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC(CO)C1 ZINC000122196978 283425764 /nfs/dbraw/zinc/42/57/64/283425764.db2.gz TZYHCMPICSRYCO-GFCCVEGCSA-N 0 0 304.412 0.031 10 0 DCAERN C[C@@]1(n2cc(CN3CCSCC3)cn2)CCS(=O)(=O)C1 ZINC000126222991 236952026 /nfs/dbraw/zinc/95/20/26/236952026.db2.gz WYSAVQPYIZIXGP-CYBMUJFWSA-N 0 0 315.464 0.966 10 0 DCAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000151510881 237001457 /nfs/dbraw/zinc/00/14/57/237001457.db2.gz LEZAJFKXGQYPLK-ZIAGYGMSSA-N 0 0 323.418 0.446 10 0 DCAERN Cc1cccc(N(CCC(N)=O)C[C@H](O)CN2CCOCC2)c1 ZINC000156799111 237056086 /nfs/dbraw/zinc/05/60/86/237056086.db2.gz UJOWDOIKKZXHMX-MRXNPFEDSA-N 0 0 321.421 0.370 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N(C)CC2(O)CCOCC2)C1 ZINC000162100294 237106363 /nfs/dbraw/zinc/10/63/63/237106363.db2.gz FDWCLIXFJFASCR-LBPRGKRZSA-N 0 0 306.428 0.436 10 0 DCAERN C[C@@H](O)CN1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 ZINC000186834079 200018794 /nfs/dbraw/zinc/01/87/94/200018794.db2.gz SRPHXMRXLHBJIB-ZIAGYGMSSA-N 0 0 316.467 0.814 10 0 DCAERN Cn1ncc2c1ncn(CC(=O)N1C[C@@H]3CCCC[C@H]3C1)c2=O ZINC000178269562 237221247 /nfs/dbraw/zinc/22/12/47/237221247.db2.gz BYAWBMGNMVWRBI-RYUDHWBXSA-N 0 0 315.377 0.779 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000176596460 237202550 /nfs/dbraw/zinc/20/25/50/237202550.db2.gz FIJQITPHNPDVMC-SNVBAGLBSA-N 0 0 321.377 0.928 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000281011234 216020363 /nfs/dbraw/zinc/02/03/63/216020363.db2.gz OOCZXUJFVKCAHE-DGCLKSJQSA-N 0 0 304.394 0.604 10 0 DCAERN COc1ccc(C(=O)NCC(=O)NCC(C)(C)CCO)cc1 ZINC000178598430 237231510 /nfs/dbraw/zinc/23/15/10/237231510.db2.gz PIOQJENUTOPPOY-UHFFFAOYSA-N 0 0 308.378 0.950 10 0 DCAERN C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CCN1CCO ZINC000187130181 237340767 /nfs/dbraw/zinc/34/07/67/237340767.db2.gz ILCHPKZOSMWWQE-LLVKDONJSA-N 0 0 306.366 0.316 10 0 DCAERN CCN(C)C(=O)CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000188204880 200208705 /nfs/dbraw/zinc/20/87/05/200208705.db2.gz RDXFSBTZRUBWLL-JTQLQIEISA-N 0 0 309.414 0.745 10 0 DCAERN C[C@H]1OCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H]1C(N)=O ZINC000285256226 291201655 /nfs/dbraw/zinc/20/16/55/291201655.db2.gz HAFQZSTXWISWJF-JCOFBHIZSA-N 0 0 324.764 0.745 10 0 DCAERN Cc1nc(CC(C)C)oc1C(=O)NCCNS(C)(=O)=O ZINC000188640206 200279525 /nfs/dbraw/zinc/27/95/25/200279525.db2.gz LFCSEUNQWHGMDL-UHFFFAOYSA-N 0 0 303.384 0.461 10 0 DCAERN CCOCCNC(=O)CN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153740432 291208197 /nfs/dbraw/zinc/20/81/97/291208197.db2.gz NMDPBBXOTGTDQM-LBPRGKRZSA-N 0 0 307.385 0.800 10 0 DCAERN CCC(CC)(CO)CNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000153764207 291208698 /nfs/dbraw/zinc/20/86/98/291208698.db2.gz JLEAKFZOTUECPT-UHFFFAOYSA-N 0 0 321.381 0.045 10 0 DCAERN CCOCCCNC(=O)[C@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155532759 291220231 /nfs/dbraw/zinc/22/02/31/291220231.db2.gz VHQIFLVVQZYWIL-NEPJUHHUSA-N 0 0 306.428 0.037 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)N1CCS(=O)(=O)[C@H](C)C1 ZINC000155532674 291220256 /nfs/dbraw/zinc/22/02/56/291220256.db2.gz VHQIFLVVQZYWIL-VXGBXAGGSA-N 0 0 306.428 0.037 10 0 DCAERN CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000155287972 291219333 /nfs/dbraw/zinc/21/93/33/291219333.db2.gz KNVYNHBLLKCCAX-QWHCGFSZSA-N 0 0 320.455 0.978 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCCO2)c(Br)n1C ZINC000287850819 219765330 /nfs/dbraw/zinc/76/53/30/219765330.db2.gz ORKGPIUBNVQKIW-UHFFFAOYSA-N 0 0 310.173 0.817 10 0 DCAERN CCc1cccc(CC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1 ZINC000156794378 291225922 /nfs/dbraw/zinc/22/59/22/291225922.db2.gz HCTWJOSEHHUBEY-CQSZACIVSA-N 0 0 318.373 0.682 10 0 DCAERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cccn1 ZINC000157043002 291226927 /nfs/dbraw/zinc/22/69/27/291226927.db2.gz NAWOETKERVNMQV-GFCCVEGCSA-N 0 0 311.345 0.798 10 0 DCAERN Cn1cnnc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000157139495 291227368 /nfs/dbraw/zinc/22/73/68/291227368.db2.gz YELCZHDPJFVCLT-LLVKDONJSA-N 0 0 315.333 0.764 10 0 DCAERN Cc1noc(CCNC(=O)NC[C@H](C)CN2CCOCC2)n1 ZINC000158462966 291231437 /nfs/dbraw/zinc/23/14/37/291231437.db2.gz UAAYTJNQOSPYBB-NSHDSACASA-N 0 0 311.386 0.188 10 0 DCAERN COc1ccnc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 ZINC000266398632 238210424 /nfs/dbraw/zinc/21/04/24/238210424.db2.gz OYOMREZAWDFBPQ-LLVKDONJSA-N 0 0 316.365 0.660 10 0 DCAERN CC(C)C(=O)NCCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162974242 291245674 /nfs/dbraw/zinc/24/56/74/291245674.db2.gz DCXZZXWOASSADZ-LBPRGKRZSA-N 0 0 308.378 0.835 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000163052216 291245811 /nfs/dbraw/zinc/24/58/11/291245811.db2.gz KNRAGZIHNDFWOD-RYUDHWBXSA-N 0 0 308.382 0.851 10 0 DCAERN CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000163025832 291245874 /nfs/dbraw/zinc/24/58/74/291245874.db2.gz BFDGIEJBAPYMQZ-FZMZJTMJSA-N 0 0 306.362 0.683 10 0 DCAERN Cc1cc(O)cc(=O)n1CC(=O)NCc1cccnc1N(C)C ZINC000163341886 291246478 /nfs/dbraw/zinc/24/64/78/291246478.db2.gz JWZXRBIEXYPULK-UHFFFAOYSA-N 0 0 316.361 0.640 10 0 DCAERN Cn1cc(CNC(=O)N(CC2CC2)C[C@H]2CN(C)CCO2)cn1 ZINC000276422060 238322290 /nfs/dbraw/zinc/32/22/90/238322290.db2.gz LKFCMMYMRBDAMJ-OAHLLOKOSA-N 0 0 321.425 0.672 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2CCC[C@@H]2O)C[C@@H](C)O1 ZINC000167818971 291249469 /nfs/dbraw/zinc/24/94/69/291249469.db2.gz OWKUTEMUOMPOBV-NDBYEHHHSA-N 0 0 306.428 0.433 10 0 DCAERN C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)CCC1=O ZINC000281524947 216360993 /nfs/dbraw/zinc/36/09/93/216360993.db2.gz IPLBIUNRGSJEFP-VIFPVBQESA-N 0 0 305.359 0.896 10 0 DCAERN COc1ccnc(N2CC[C@@H](N(C)Cc3ncccn3)C2)n1 ZINC000275503296 212377056 /nfs/dbraw/zinc/37/70/56/212377056.db2.gz CCVHADIJMOXWKL-GFCCVEGCSA-N 0 0 300.366 0.986 10 0 DCAERN COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000073743836 291317687 /nfs/dbraw/zinc/31/76/87/291317687.db2.gz NRSFQNCWMXJNCN-MNOVXSKESA-N 0 0 308.334 0.952 10 0 DCAERN C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000275445361 212336078 /nfs/dbraw/zinc/33/60/78/212336078.db2.gz WBVBMZRIXWMYAU-UONOGXRCSA-N 0 0 321.425 0.465 10 0 DCAERN O=S(=O)(C1COC1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281802093 216552162 /nfs/dbraw/zinc/55/21/62/216552162.db2.gz CRDKMYRAIVKVCG-DGCLKSJQSA-N 0 0 301.339 0.662 10 0 DCAERN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000408309765 291331746 /nfs/dbraw/zinc/33/17/46/291331746.db2.gz OSQBCCWZNYSGLH-UTUOFQBUSA-N 0 0 305.396 0.769 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cccnc1Br ZINC000091227121 193023241 /nfs/dbraw/zinc/02/32/41/193023241.db2.gz QCFGCVJGUMQPJQ-SSDOTTSWSA-N 0 0 316.155 0.670 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC000091779549 193106327 /nfs/dbraw/zinc/10/63/27/193106327.db2.gz WJJSWEXOOCTZOL-JTQLQIEISA-N 0 0 318.251 0.912 10 0 DCAERN NC(=O)[C@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000091781191 193107157 /nfs/dbraw/zinc/10/71/57/193107157.db2.gz XHLCOCVTCWRGDJ-LLVKDONJSA-N 0 0 316.279 0.961 10 0 DCAERN C[C@H](C(=O)N1CCOC[C@H]1C(N)=O)n1cnc2ccccc21 ZINC000091810842 193110856 /nfs/dbraw/zinc/11/08/56/193110856.db2.gz CAKMFBUYCVKNFG-MFKMUULPSA-N 0 0 302.334 0.310 10 0 DCAERN Cc1n[nH]c2cc(NC(=O)CN3CCCS3(=O)=O)ccc12 ZINC000091835680 193115473 /nfs/dbraw/zinc/11/54/73/193115473.db2.gz CNVSKNFYLDOEII-UHFFFAOYSA-N 0 0 308.363 0.845 10 0 DCAERN CCc1noc(NC(=O)NC(C)(C)c2cc(C(=O)OC)on2)n1 ZINC000455592451 240857721 /nfs/dbraw/zinc/85/77/21/240857721.db2.gz WYBQNMUOYZZZOT-UHFFFAOYSA-N 0 0 323.309 0.885 10 0 DCAERN COC(=O)c1cc(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c[nH]1 ZINC000457264546 240988314 /nfs/dbraw/zinc/98/83/14/240988314.db2.gz HSYRMBKJGHHANX-QWRGUYRKSA-N 0 0 305.334 0.685 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC12COC2 ZINC000457812882 241038443 /nfs/dbraw/zinc/03/84/43/241038443.db2.gz JSCYQMDPFVSDLX-LPWJVIDDSA-N 0 0 309.362 0.592 10 0 DCAERN Cc1ccc(OCCNC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000457432030 241004352 /nfs/dbraw/zinc/00/43/52/241004352.db2.gz CGTPZDHSDWYTOR-ZDUSSCGKSA-N 0 0 319.365 0.326 10 0 DCAERN Cc1ccccc1C[C@H](C)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457882695 241045956 /nfs/dbraw/zinc/04/59/56/241045956.db2.gz NCKIXZBWPJKCSZ-DZGCQCFKSA-N 0 0 317.393 0.878 10 0 DCAERN C[C@H](CNC(=O)NC[C@@H]1CCc2nccn2C1)N1CCOCC1 ZINC000275307624 212263330 /nfs/dbraw/zinc/26/33/30/212263330.db2.gz HPHWTFBPWISPRM-KGLIPLIRSA-N 0 0 321.425 0.465 10 0 DCAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1n[nH]cc1Br ZINC000567905092 291389958 /nfs/dbraw/zinc/38/99/58/291389958.db2.gz BEEGUFIWJDQZRC-MUWHJKNJSA-N 0 0 303.160 0.165 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC(=O)[C@@H](C)C2)c1 ZINC000275231885 212213299 /nfs/dbraw/zinc/21/32/99/212213299.db2.gz JPMSSRQYILRFCG-JTQLQIEISA-N 0 0 310.375 0.694 10 0 DCAERN COc1ccc(-c2noc(CN3CCOC[C@@H]3C(N)=O)n2)cc1 ZINC000092228848 193176967 /nfs/dbraw/zinc/17/69/67/193176967.db2.gz JNCRDTRLZRQDMZ-GFCCVEGCSA-N 0 0 318.333 0.431 10 0 DCAERN Cc1[nH]c2ccccc2c1C(=O)CN1CCOC[C@@H]1C(N)=O ZINC000092230013 193177389 /nfs/dbraw/zinc/17/73/89/193177389.db2.gz VLBYFAUFLTZPTN-CYBMUJFWSA-N 0 0 301.346 0.845 10 0 DCAERN NC(=O)[C@H]1COCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000092230884 193177521 /nfs/dbraw/zinc/17/75/21/193177521.db2.gz PWQRYHWGBGCFDY-LLVKDONJSA-N 0 0 322.752 0.034 10 0 DCAERN C[C@H]1C(=O)NCCN1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000568344809 291423398 /nfs/dbraw/zinc/42/33/98/291423398.db2.gz ZUDMGKQGIGZRHN-RYUDHWBXSA-N 0 0 319.361 0.746 10 0 DCAERN O=C([C@H]1COc2ccccc2O1)N1CCO[C@@]2(CCOC2)C1 ZINC000274480174 296143019 /nfs/dbraw/zinc/14/30/19/296143019.db2.gz RACQCVBWPVCDQG-ZBFHGGJFSA-N 0 0 305.330 0.844 10 0 DCAERN COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1O ZINC000093531041 193264752 /nfs/dbraw/zinc/26/47/52/193264752.db2.gz XVVBUIXTHFUOGN-NSHDSACASA-N 0 0 300.380 0.524 10 0 DCAERN COC(=O)c1ccccc1CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000093530694 193264930 /nfs/dbraw/zinc/26/49/30/193264930.db2.gz FVFYWIKQDMHPQO-LBPRGKRZSA-N 0 0 312.391 0.597 10 0 DCAERN COC(=O)c1sccc1NC(=O)CN1CCO[C@H](CO)C1 ZINC000094268110 193355561 /nfs/dbraw/zinc/35/55/61/193355561.db2.gz AHEMYMUGFBYSKD-VIFPVBQESA-N 0 0 314.363 0.166 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)NCCOC1CCCCC1 ZINC000264378556 203889418 /nfs/dbraw/zinc/88/94/18/203889418.db2.gz BOUSABFNFXSQOC-UHFFFAOYSA-N 0 0 318.381 0.874 10 0 DCAERN CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000264773286 204144726 /nfs/dbraw/zinc/14/47/26/204144726.db2.gz OMCHEEUCURIRMZ-NWDGAFQWSA-N 0 0 305.382 0.482 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)N[C@H]1CCc2ccccc2C1 ZINC000264961700 204307491 /nfs/dbraw/zinc/30/74/91/204307491.db2.gz AWWQUOYXAFISTQ-ZDUSSCGKSA-N 0 0 316.361 0.395 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)N1CCN(C2CC2)CC1 ZINC000571684320 291527996 /nfs/dbraw/zinc/52/79/96/291527996.db2.gz HHQCIIVOLGULFZ-KFWWJZLASA-N 0 0 321.421 0.367 10 0 DCAERN COCCn1cc(CNC(=O)N2CCN(C3CC3)CC2)cn1 ZINC000282562712 217091570 /nfs/dbraw/zinc/09/15/70/217091570.db2.gz VAVCDXGLMQYBHY-UHFFFAOYSA-N 0 0 307.398 0.519 10 0 DCAERN CC(C)(C)c1cc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)no1 ZINC000266158114 205145703 /nfs/dbraw/zinc/14/57/03/205145703.db2.gz KDCWVAWDHZTEJI-VIFPVBQESA-N 0 0 315.395 0.736 10 0 DCAERN CCN(C1CCN(C(=O)N[C@@H]2C[C@H]2C)CC1)S(C)(=O)=O ZINC000408112720 284374896 /nfs/dbraw/zinc/37/48/96/284374896.db2.gz PRGCWSCHQCIUQY-ZYHUDNBSSA-N 0 0 303.428 0.850 10 0 DCAERN Cc1nc(N)[nH]c(=O)c1CCCNC(=O)Cc1ccccc1 ZINC000017039737 182070953 /nfs/dbraw/zinc/07/09/53/182070953.db2.gz ZKFMYEJYQVMJEL-UHFFFAOYSA-N 0 0 300.362 0.952 10 0 DCAERN COc1ccc(N2C(=O)S[C@@H](CC(=O)NCCO)C2=O)cc1 ZINC000016905671 182064339 /nfs/dbraw/zinc/06/43/39/182064339.db2.gz RWTCXCQRXVFXCW-NSHDSACASA-N 0 0 324.358 0.762 10 0 DCAERN Nc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000019987807 182174309 /nfs/dbraw/zinc/17/43/09/182174309.db2.gz MKZDEVIGNKOWTQ-MRVPVSSYSA-N 0 0 324.811 0.388 10 0 DCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000572750256 291587034 /nfs/dbraw/zinc/58/70/34/291587034.db2.gz UKGFVNATWJYWLQ-ZYHUDNBSSA-N 0 0 307.394 0.609 10 0 DCAERN CCCS(=O)(=O)N1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000021529548 182279319 /nfs/dbraw/zinc/27/93/19/182279319.db2.gz HCSANIUMZMTDDZ-UHFFFAOYSA-N 0 0 300.384 0.216 10 0 DCAERN CC1CCN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000274528795 211693434 /nfs/dbraw/zinc/69/34/34/211693434.db2.gz UAOOYSSJGVMYKU-UHFFFAOYSA-N 0 0 317.393 0.384 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000573065155 291607858 /nfs/dbraw/zinc/60/78/58/291607858.db2.gz IVIOEOBZKWYURH-NSHDSACASA-N 0 0 306.366 0.909 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CNC(=O)C(C)(C)C ZINC000248864772 291623139 /nfs/dbraw/zinc/62/31/39/291623139.db2.gz SRZZIWQLKQRFKN-WZRBSPASSA-N 0 0 310.394 0.949 10 0 DCAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1CCO[C@]2(CCOC2)C1 ZINC000274478261 296236262 /nfs/dbraw/zinc/23/62/62/296236262.db2.gz QWKXYNYOZBJXPD-MRXNPFEDSA-N 0 0 318.329 0.649 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000194083312 284552258 /nfs/dbraw/zinc/55/22/58/284552258.db2.gz RKKYDTVPOUWNRL-CHWSQXEVSA-N 0 0 309.410 0.905 10 0 DCAERN CC1(C)O[C@H]2[C@@H](OCc3ccccc3)O[C@H]([C@H](O)CO)[C@@H]2O1 ZINC000038599695 183003524 /nfs/dbraw/zinc/00/35/24/183003524.db2.gz NKCNUNUEQRYLNZ-QMIVOQANSA-N 0 0 310.346 0.801 10 0 in-vitro DCAERN C[C@@H]1C(=O)NCCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000189266662 296260452 /nfs/dbraw/zinc/26/04/52/296260452.db2.gz RABNYYUVQZXVOV-TZMCWYRMSA-N 0 0 317.389 0.837 10 0 DCAERN Cc1ccc(NC(=O)[C@H]2CSC(=O)N2)cc1S(N)(=O)=O ZINC000040378462 183057886 /nfs/dbraw/zinc/05/78/86/183057886.db2.gz JLIWJEDBXNRVTN-MRVPVSSYSA-N 0 0 315.376 0.406 10 0 DCAERN C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286714994 296262890 /nfs/dbraw/zinc/26/28/90/296262890.db2.gz BIOCUKRZDODSGR-SSDOTTSWSA-N 0 0 323.296 0.609 10 0 DCAERN COCCCNc1ncnc(N(CCOC)CCOC)c1N ZINC000040751943 183128901 /nfs/dbraw/zinc/12/89/01/183128901.db2.gz ZDKJPZXZCGLJOW-UHFFFAOYSA-N 0 0 313.402 0.606 10 0 DCAERN NC(=S)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000041515479 183197015 /nfs/dbraw/zinc/19/70/15/183197015.db2.gz PQXZTQAOEWGLTL-UHFFFAOYSA-N 0 0 302.377 0.412 10 0 DCAERN CCCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000043782595 183385736 /nfs/dbraw/zinc/38/57/36/183385736.db2.gz XLNUZXRUGUYZEZ-GFCCVEGCSA-N 0 0 320.397 0.271 10 0 DCAERN CN1CCO[C@@H](CNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000104780528 194038827 /nfs/dbraw/zinc/03/88/27/194038827.db2.gz UUWXBXFFPFNHEN-AWEZNQCLSA-N 0 0 317.393 0.507 10 0 DCAERN CN(C)c1ncccc1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000104849474 194046477 /nfs/dbraw/zinc/04/64/77/194046477.db2.gz RUTYWVMHEYYXPX-UHFFFAOYSA-N 0 0 324.340 0.961 10 0 DCAERN CN(C)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)c1ccco1 ZINC000105077707 194069972 /nfs/dbraw/zinc/06/99/72/194069972.db2.gz UYEBTHLLYIJYFZ-STQMWFEESA-N 0 0 310.398 0.512 10 0 DCAERN CN(c1cccnn1)C1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000105816032 194136158 /nfs/dbraw/zinc/13/61/58/194136158.db2.gz PNKWQDFPGFAFQY-UHFFFAOYSA-N 0 0 317.393 0.526 10 0 DCAERN CCOCCN1CCN(CCCS(C)(=O)=O)C[C@@H]1CC ZINC000105838644 194143623 /nfs/dbraw/zinc/14/36/23/194143623.db2.gz YCXCPFUUEOXLCK-AWEZNQCLSA-N 0 0 306.472 0.854 10 0 DCAERN CCOc1cc(C)nc(N2CCN([C@H]3CCOC3=O)CC2)n1 ZINC000105868725 194151697 /nfs/dbraw/zinc/15/16/97/194151697.db2.gz QCIOCXPGQFPQMB-LBPRGKRZSA-N 0 0 306.366 0.621 10 0 DCAERN CCOc1ccnc(N2CCN(CC(=O)NCC(C)C)CC2)n1 ZINC000105868361 194151794 /nfs/dbraw/zinc/15/17/94/194151794.db2.gz ICWJWAIDICXJQX-UHFFFAOYSA-N 0 0 321.425 0.770 10 0 DCAERN COCCCNC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105910375 194166225 /nfs/dbraw/zinc/16/62/25/194166225.db2.gz KZYIERCKTRKKNX-UHFFFAOYSA-N 0 0 321.425 0.530 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000106393120 194205638 /nfs/dbraw/zinc/20/56/38/194205638.db2.gz CKAJMPQFWXDJNO-AWEZNQCLSA-N 0 0 305.378 0.540 10 0 DCAERN COC(=O)[C@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1cccc(C)c1 ZINC000106780618 194252441 /nfs/dbraw/zinc/25/24/41/194252441.db2.gz XTCVRCFPBHSWST-KGLIPLIRSA-N 0 0 318.373 0.579 10 0 DCAERN C[C@H](O)C[C@H]1CCCN1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408019212 299521258 /nfs/dbraw/zinc/52/12/58/299521258.db2.gz XEZRHGVLGQUDIT-QJPTWQEYSA-N 0 0 304.412 0.461 10 0 DCAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(N)=O)C(C)C ZINC000053395136 183900772 /nfs/dbraw/zinc/90/07/72/183900772.db2.gz XUHZNJNFYXOVRD-WCQYABFASA-N 0 0 305.378 0.739 10 0 DCAERN CN1N=C(C(=O)N2CCO[C@@H](c3nccs3)C2)CCC1=O ZINC000110886136 194366831 /nfs/dbraw/zinc/36/68/31/194366831.db2.gz OOGJFVCPDXOQCN-SNVBAGLBSA-N 0 0 308.363 0.651 10 0 DCAERN COCCOCCC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000110956812 194374113 /nfs/dbraw/zinc/37/41/13/194374113.db2.gz YZYJFFNBLRVOKX-HNNXBMFYSA-N 0 0 314.426 0.753 10 0 DCAERN O=C(Nc1ccccc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111081826 194389621 /nfs/dbraw/zinc/38/96/21/194389621.db2.gz JCHXXNNOLQPHOA-CQSZACIVSA-N 0 0 314.345 0.749 10 0 DCAERN C[C@@H]1CCCCN1S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000408018096 296318337 /nfs/dbraw/zinc/31/83/37/296318337.db2.gz XUZHLZFJGVDQMA-UPJWGTAASA-N 0 0 322.471 0.853 10 0 DCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc[nH]c3=O)CCO2)c1 ZINC000112062775 194428967 /nfs/dbraw/zinc/42/89/67/194428967.db2.gz ZCQMNCSQEYZVED-LBPRGKRZSA-N 0 0 302.334 0.833 10 0 DCAERN Nc1nn(CC(=O)NC2CCOCC2)cc1Br ZINC000062768914 184253055 /nfs/dbraw/zinc/25/30/55/184253055.db2.gz CLGMYQLFLVQYEU-UHFFFAOYSA-N 0 0 303.160 0.523 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068253436 184492285 /nfs/dbraw/zinc/49/22/85/184492285.db2.gz XJPXVQXHEWRQAM-CQSZACIVSA-N 0 0 317.389 0.947 10 0 DCAERN CNC(=O)c1cccc(CCNC(=O)NCc2noc(C)n2)c1 ZINC000173295037 252594684 /nfs/dbraw/zinc/59/46/84/252594684.db2.gz RNUJDFWWOQOFDZ-UHFFFAOYSA-N 0 0 317.349 0.780 10 0 DCAERN O=C(N[C@H]1CCCNC1=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000295594848 252632910 /nfs/dbraw/zinc/63/29/10/252632910.db2.gz KVBCPXBYEKQTJE-XQQFMLRXSA-N 0 0 316.357 0.956 10 0 DCAERN O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@](O)(CO)C1 ZINC000313669282 252643619 /nfs/dbraw/zinc/64/36/19/252643619.db2.gz UMJWCWXLHRAXFZ-LBPRGKRZSA-N 0 0 307.318 0.473 10 0 DCAERN CN(CC1CC(O)C1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000333138168 252685893 /nfs/dbraw/zinc/68/58/93/252685893.db2.gz YDSYPMMHGLPPPE-QLEHZGMVSA-N 0 0 308.300 0.673 10 0 DCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(Cc2ccon2)CC1 ZINC000333145946 252686764 /nfs/dbraw/zinc/68/67/64/252686764.db2.gz ZRQPAZZCEODQKJ-YPMHNXCESA-N 0 0 321.381 0.169 10 0 DCAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)N1CCOCC1 ZINC000333167448 252690460 /nfs/dbraw/zinc/69/04/60/252690460.db2.gz OZEKAGOZECKKGT-ZNMIVQPWSA-N 0 0 323.437 0.614 10 0 DCAERN COCC(=O)N1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333232094 252695997 /nfs/dbraw/zinc/69/59/97/252695997.db2.gz YMBHUKIHBMNQGJ-AGIUHOORSA-N 0 0 316.423 0.295 10 0 DCAERN Cn1nc(C(=O)N[C@H]2COC[C@H]2n2ccnn2)c2c1CCCC2 ZINC000333605781 252742800 /nfs/dbraw/zinc/74/28/00/252742800.db2.gz REHLVKNTKBLNQT-WCQYABFASA-N 0 0 316.365 0.260 10 0 DCAERN CC(=O)C1(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000339125898 253034331 /nfs/dbraw/zinc/03/43/31/253034331.db2.gz DLKSPUIWZVRSIT-GFCCVEGCSA-N 0 0 306.337 0.955 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)CC[C@@H]21 ZINC000286162953 218824009 /nfs/dbraw/zinc/82/40/09/218824009.db2.gz HLCBYWJQKOUVAE-KGLIPLIRSA-N 0 0 313.361 0.730 10 0 DCAERN c1ncc(NC[C@@H]2COCCO2)nc1NC[C@@H]1COCCO1 ZINC000341571141 253396069 /nfs/dbraw/zinc/39/60/69/253396069.db2.gz HKJQUDKCCXTZGN-VXGBXAGGSA-N 0 0 310.354 0.131 10 0 DCAERN COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000344802917 253835189 /nfs/dbraw/zinc/83/51/89/253835189.db2.gz LKQMBPZMMVEGKH-UONOGXRCSA-N 0 0 317.349 0.538 10 0 DCAERN Cc1cccc(OCCNC(=O)CN2C[C@@H](F)C[C@H]2C(N)=O)c1 ZINC000346102071 254010363 /nfs/dbraw/zinc/01/03/63/254010363.db2.gz YUFRCYHOWJAWRC-JSGCOSHPSA-N 0 0 323.368 0.388 10 0 DCAERN CCOC(=O)c1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)on1 ZINC000346158387 254017117 /nfs/dbraw/zinc/01/71/17/254017117.db2.gz UOQQHYLUFZDBHX-ZPWHCFADSA-N 0 0 302.352 0.738 10 0 DCAERN COCc1cccc(CNC(=O)CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000346433224 254051260 /nfs/dbraw/zinc/05/12/60/254051260.db2.gz YGCHNVRLKABJEY-GJZGRUSLSA-N 0 0 310.369 0.854 10 0 DCAERN COCCOc1cccc(C(=O)N2C[C@@H](F)C[C@H]2C(N)=O)c1 ZINC000347247911 254142044 /nfs/dbraw/zinc/14/20/44/254142044.db2.gz ZPXLKGVIOUCYLD-AAEUAGOBSA-N 0 0 310.325 0.750 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)C1 ZINC000408162962 296395860 /nfs/dbraw/zinc/39/58/60/296395860.db2.gz AKSJQPSJTAFFBQ-WOPDTQHZSA-N 0 0 303.428 0.549 10 0 DCAERN CC(=O)c1c(C)[nH]c(C(=O)Cn2nnn(C3CC3)c2=O)c1C ZINC000351890034 254378547 /nfs/dbraw/zinc/37/85/47/254378547.db2.gz SRZIHXBUAVAGDZ-UHFFFAOYSA-N 0 0 303.322 0.805 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)C2CCCC2)C[C@@H](C)O1 ZINC000352560258 254420039 /nfs/dbraw/zinc/42/00/39/254420039.db2.gz OQYDMINZGASFDH-WZRBSPASSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000328665446 296410532 /nfs/dbraw/zinc/41/05/32/296410532.db2.gz CEVCUWQYOXHGLQ-IJLUTSLNSA-N 0 0 301.412 0.459 10 0 DCAERN C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)[C@H](C)N1CCOCC1 ZINC000187033248 533182199 /nfs/dbraw/zinc/18/21/99/533182199.db2.gz DBDKAJZEXHXXKZ-MNOVXSKESA-N 0 0 324.381 0.287 10 0 DCAERN O=c1[nH]c2cc(-c3nc([C@H]4CN5CCN4CC5)no3)ccc2o1 ZINC000289564699 221071861 /nfs/dbraw/zinc/07/18/61/221071861.db2.gz FMVNHMFYVYUPTN-LLVKDONJSA-N 0 0 313.317 0.843 10 0 DCAERN Cc1noc([C@@]23COC[C@@H]2CN(C(=O)Cc2ccco2)C3)n1 ZINC000248009107 257111391 /nfs/dbraw/zinc/11/13/91/257111391.db2.gz IIZMUOCRYUOXDN-NHYWBVRUSA-N 0 0 303.318 0.940 10 0 DCAERN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 ZINC000247981249 257112999 /nfs/dbraw/zinc/11/29/99/257112999.db2.gz XLPARZMONLIMJL-CYBMUJFWSA-N 0 0 314.411 0.300 10 0 DCAERN CS(=O)(=O)N1CC2(C1)C[C@H](OCc1cccnc1)CCO2 ZINC000247527639 257119481 /nfs/dbraw/zinc/11/94/81/257119481.db2.gz NSCAPURUBGCTSY-CYBMUJFWSA-N 0 0 312.391 0.791 10 0 DCAERN O=C(C[C@@H]1CO[C@H]2CN(c3ncccn3)C[C@H]21)N1CCCO1 ZINC000253616276 257104392 /nfs/dbraw/zinc/10/43/92/257104392.db2.gz AGSZVMQLIJLYGH-AGIUHOORSA-N 0 0 304.350 0.482 10 0 DCAERN CCS(=O)(=O)N1CC[C@@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000253491762 257105218 /nfs/dbraw/zinc/10/52/18/257105218.db2.gz NRXPZRXMGNJBDD-JSGCOSHPSA-N 0 0 316.423 0.582 10 0 DCAERN CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cc(C)on3)C[C@H]2N1C(C)C ZINC000253480054 257105561 /nfs/dbraw/zinc/10/55/61/257105561.db2.gz UQWBPZSQTXBNET-FPMFFAJLSA-N 0 0 320.393 0.652 10 0 DCAERN COc1cccc(CNC(=O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000187704168 533490616 /nfs/dbraw/zinc/49/06/16/533490616.db2.gz BHPYRYLEILHTSW-CQSZACIVSA-N 0 0 321.421 0.310 10 0 DCAERN CCNC(=O)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000275390065 130312349 /nfs/dbraw/zinc/31/23/49/130312349.db2.gz ZYFHALRDVOPKGQ-LLVKDONJSA-N 0 0 321.381 0.401 10 0 DCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000275569596 130338317 /nfs/dbraw/zinc/33/83/17/130338317.db2.gz ISUPUWWTSILEOR-YNEHKIRRSA-N 0 0 307.398 0.596 10 0 DCAERN CC1CC(NC(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 ZINC000275597660 130345336 /nfs/dbraw/zinc/34/53/36/130345336.db2.gz HTIIMBDANLYTDK-OTTFEQOBSA-N 0 0 319.409 0.847 10 0 DCAERN COc1ccccc1CCC(=O)N1C[C@@H](OC)C[C@H]1C(N)=O ZINC000284620426 131098012 /nfs/dbraw/zinc/09/80/12/131098012.db2.gz PAAUFHYFYOXDRW-STQMWFEESA-N 0 0 306.362 0.729 10 0 DCAERN Cc1noc([C@H]2CN(C(=O)c3n[nH]c(C)c3C)CCN2C)n1 ZINC000284685345 131104011 /nfs/dbraw/zinc/10/40/11/131104011.db2.gz PLGZCFRNOVDIDP-LLVKDONJSA-N 0 0 304.354 0.847 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000285592974 131184797 /nfs/dbraw/zinc/18/47/97/131184797.db2.gz CBBUYBIZSVOPGN-OAHLLOKOSA-N 0 0 306.318 0.727 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)NCCCN1CCOCC1 ZINC000135812706 545806154 /nfs/dbraw/zinc/80/61/54/545806154.db2.gz DGWVIOXADRXUNH-UHFFFAOYSA-N 0 0 314.430 0.265 10 0 DCAERN O=C(N1CCOCC1)N1CCC(c2ccnn2CCO)CC1 ZINC000120935520 132147086 /nfs/dbraw/zinc/14/70/86/132147086.db2.gz YBZNRXVDPGKIFM-UHFFFAOYSA-N 0 0 308.382 0.507 10 0 DCAERN NC(=O)[C@H]1CCCN(C(=O)CN2CCO[C@H](c3ccco3)C2)C1 ZINC000121078414 132152259 /nfs/dbraw/zinc/15/22/59/132152259.db2.gz CRIFFBNEGPUTEO-JSGCOSHPSA-N 0 0 321.377 0.377 10 0 DCAERN CCC[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000121822655 132159425 /nfs/dbraw/zinc/15/94/25/132159425.db2.gz YUJSQGFHVWVQOV-TUAOUCFPSA-N 0 0 303.428 0.756 10 0 DCAERN CCC[C@@H](C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1)[NH+](C)C ZINC000122370228 132165316 /nfs/dbraw/zinc/16/53/16/132165316.db2.gz FGPXSZPLPOXPNP-NWDGAFQWSA-N 0 0 309.414 0.997 10 0 DCAERN C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CN1)[C@H]1CCCO1 ZINC000027908668 134669533 /nfs/dbraw/zinc/66/95/33/134669533.db2.gz XFUGDXVLLFLPAN-WCQYABFASA-N 0 0 316.361 0.620 10 0 DCAERN COC(=O)[C@H](CC(C)C)NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000015255245 395689936 /nfs/dbraw/zinc/68/99/36/395689936.db2.gz KHKPKYODMCYLIE-AVGNSLFASA-N 0 0 300.399 0.800 10 0 DCAERN NC(=O)C(NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(N)=O ZINC000023881143 395692617 /nfs/dbraw/zinc/69/26/17/395692617.db2.gz REWGTPGAJVURNH-UHFFFAOYSA-N 0 0 305.265 0.155 10 0 DCAERN COC(=O)c1cncc(NCC(C)(C)NS(C)(=O)=O)n1 ZINC000091417861 395724825 /nfs/dbraw/zinc/72/48/25/395724825.db2.gz TVUKEXFXJFHFCM-UHFFFAOYSA-N 0 0 302.356 0.003 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089160323 395708521 /nfs/dbraw/zinc/70/85/21/395708521.db2.gz ZOVFMGYRZWNKHU-TUAOUCFPSA-N 0 0 304.412 0.078 10 0 DCAERN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089165457 395708844 /nfs/dbraw/zinc/70/88/44/395708844.db2.gz UPUKMSHDDAQETR-AAEUAGOBSA-N 0 0 313.375 0.913 10 0 DCAERN CC(C)[C@H](C(=O)N1CC[C@@H](C)[C@H](O)C1)N1CCCS1(=O)=O ZINC000089403254 395710892 /nfs/dbraw/zinc/71/08/92/395710892.db2.gz BCUYZCSDJXEFFZ-JHJVBQTASA-N 0 0 318.439 0.276 10 0 DCAERN C[C@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C[C@H]1O ZINC000089414258 395711214 /nfs/dbraw/zinc/71/12/14/395711214.db2.gz NCQSSHFYLKFTDC-QWHCGFSZSA-N 0 0 318.439 0.422 10 0 DCAERN C[C@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C[C@H]1O ZINC000089419745 395711313 /nfs/dbraw/zinc/71/13/13/395711313.db2.gz MVFDFCJQBNHQMD-WCQYABFASA-N 0 0 303.424 0.963 10 0 DCAERN CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)co1 ZINC000089415589 395711327 /nfs/dbraw/zinc/71/13/27/395711327.db2.gz JHDUZZKISZEMLF-WCBMZHEXSA-N 0 0 302.352 0.031 10 0 DCAERN CN(C)c1ccc(Cl)cc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000091039554 395721162 /nfs/dbraw/zinc/72/11/62/395721162.db2.gz ABQADTAINMTNFA-VIFPVBQESA-N 0 0 310.741 0.943 10 0 DCAERN O=S(=O)(c1ccc(Br)nc1)N1CCOCC1 ZINC000036154369 395722427 /nfs/dbraw/zinc/72/24/27/395722427.db2.gz DAIHYQKESILPJS-UHFFFAOYSA-N 0 0 307.169 0.865 10 0 DCAERN CN1C(=O)C[C@@H](NC(=O)NCCO)[C@@H]1c1ccc(Cl)cc1 ZINC000091984957 395728581 /nfs/dbraw/zinc/72/85/81/395728581.db2.gz PNFPGFRCBRUDQY-YPMHNXCESA-N 0 0 311.769 0.903 10 0 DCAERN O=C1N[C@]2(C(=O)Nc3cc(F)c(Cl)cc32)N2CCOC[C@@H]12 ZINC000093885471 395739578 /nfs/dbraw/zinc/73/95/78/395739578.db2.gz TYCCUFUJDKAEBK-GWCFXTLKSA-N 0 0 311.700 0.415 10 0 DCAERN C[C@H]1CC(C(=O)N2CCCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000093920892 395739588 /nfs/dbraw/zinc/73/95/88/395739588.db2.gz XOLBWUUQGCHOPR-RYUDHWBXSA-N 0 0 318.439 0.684 10 0 DCAERN COc1ccc(C)cc1NC(=O)C(=O)NCc1ccnn1C ZINC000041880393 395740083 /nfs/dbraw/zinc/74/00/83/395740083.db2.gz BOAXMEZSNBTZHE-UHFFFAOYSA-N 0 0 302.334 0.992 10 0 DCAERN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000040444529 395733788 /nfs/dbraw/zinc/73/37/88/395733788.db2.gz LRSANTKIDMIPSI-GWCFXTLKSA-N 0 0 312.391 0.940 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1O ZINC000093051148 395735788 /nfs/dbraw/zinc/73/57/88/395735788.db2.gz WISKTFDTUHLEEC-GWCFXTLKSA-N 0 0 323.378 0.054 10 0 DCAERN Cc1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)N1CCOCC1 ZINC000041600952 395738501 /nfs/dbraw/zinc/73/85/01/395738501.db2.gz GGOIUYZOROHYLO-LBPRGKRZSA-N 0 0 323.368 0.910 10 0 DCAERN CCOC(=O)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000096561094 395754763 /nfs/dbraw/zinc/75/47/63/395754763.db2.gz RRPAQNABYRVRMC-JTQLQIEISA-N 0 0 318.329 0.741 10 0 DCAERN O=S(=O)(N1CC[C@H](Oc2cccnc2)C1)N1CCOCC1 ZINC000097015841 395755269 /nfs/dbraw/zinc/75/52/69/395755269.db2.gz MOVNHQXTDXVKTI-ZDUSSCGKSA-N 0 0 313.379 0.112 10 0 DCAERN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN2CCCC[C@H]2C1 ZINC000105064509 395779983 /nfs/dbraw/zinc/77/99/83/395779983.db2.gz DDMYJOBYMGULCX-NEPJUHHUSA-N 0 0 301.412 0.053 10 0 DCAERN CCOc1ccnc(N2CCN(Cc3nncn3C)CC2)n1 ZINC000105868654 395781086 /nfs/dbraw/zinc/78/10/86/395781086.db2.gz QUYPRDCQPZEESO-UHFFFAOYSA-N 0 0 303.370 0.326 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000193888691 395781426 /nfs/dbraw/zinc/78/14/26/395781426.db2.gz BNLBSTUZWMSGRV-GFCCVEGCSA-N 0 0 312.391 0.903 10 0 DCAERN CCOc1ccc2nc(C(=O)N3CCN(CC)CC3)cn2n1 ZINC000097938800 395761311 /nfs/dbraw/zinc/76/13/11/395761311.db2.gz JGQCLSOLBOMPIN-UHFFFAOYSA-N 0 0 303.366 0.906 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)COCc2cc(C)no2)C1 ZINC000193773287 395778999 /nfs/dbraw/zinc/77/89/99/395778999.db2.gz XMQXNTCCUPGQQZ-LLVKDONJSA-N 0 0 310.354 0.420 10 0 DCAERN CCc1cc(NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)n[nH]1 ZINC000104867889 395779276 /nfs/dbraw/zinc/77/92/76/395779276.db2.gz OWJCAEKPEYOXPN-UHFFFAOYSA-N 0 0 300.322 0.798 10 0 DCAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000048112197 395808340 /nfs/dbraw/zinc/80/83/40/395808340.db2.gz FNZNDSFCTKODFY-GXFFZTMASA-N 0 0 301.346 0.853 10 0 DCAERN C[C@H](O)C(=O)N1CCN(c2ncncc2Br)CC1 ZINC000270838760 395814027 /nfs/dbraw/zinc/81/40/27/395814027.db2.gz VTTRDUYUYDQPAT-QMMMGPOBSA-N 0 0 315.171 0.269 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)NCCc2ccc(C)nc2)cn1 ZINC000111887090 395814607 /nfs/dbraw/zinc/81/46/07/395814607.db2.gz JSMPYIIUTODYPI-UHFFFAOYSA-N 0 0 316.365 0.697 10 0 DCAERN NS(=O)(=O)NC[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000112555295 395819612 /nfs/dbraw/zinc/81/96/12/395819612.db2.gz PWYGCCPRFPFIDY-SNVBAGLBSA-N 0 0 311.411 0.364 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cn(Cc2ccccc2)nn1 ZINC000112647439 395820362 /nfs/dbraw/zinc/82/03/62/395820362.db2.gz ISIBQRRLQJLXPR-CYBMUJFWSA-N 0 0 323.360 0.663 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CC(c2ccccc2)=NO1 ZINC000112650951 395820881 /nfs/dbraw/zinc/82/08/81/395820881.db2.gz UWMORWSFUTVXGD-TZMCWYRMSA-N 0 0 311.345 0.902 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000112650949 395820902 /nfs/dbraw/zinc/82/09/02/395820902.db2.gz UWMORWSFUTVXGD-OCCSQVGLSA-N 0 0 311.345 0.902 10 0 DCAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc2c1OCCO2 ZINC000112660119 395820912 /nfs/dbraw/zinc/82/09/12/395820912.db2.gz QJWWHWWJFOXKKA-SNVBAGLBSA-N 0 0 300.318 0.794 10 0 DCAERN O=C1NC(C2CC2)(C2CC2)C(=O)N1CCCN1CCOCC1 ZINC000195200085 395820927 /nfs/dbraw/zinc/82/09/27/395820927.db2.gz HXYWDGISZRMZQF-UHFFFAOYSA-N 0 0 307.394 0.819 10 0 DCAERN Cc1cc(NC(=O)N2CCNC(=O)CC2)n(-c2ccccn2)n1 ZINC000195217753 395821347 /nfs/dbraw/zinc/82/13/47/395821347.db2.gz WDNLWOFQCRJGLT-UHFFFAOYSA-N 0 0 314.349 0.930 10 0 DCAERN C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000195217489 395821896 /nfs/dbraw/zinc/82/18/96/395821896.db2.gz WDDWHEOFKCMZMP-MFKMUULPSA-N 0 0 312.391 0.772 10 0 DCAERN CC1(CNC(=O)NCCN2C(=O)Cc3ccccc32)COC1 ZINC000112718978 395822053 /nfs/dbraw/zinc/82/20/53/395822053.db2.gz DISLJVXATVRAGH-UHFFFAOYSA-N 0 0 303.362 0.911 10 0 DCAERN CCN1C[C@H](C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000195277134 395823180 /nfs/dbraw/zinc/82/31/80/395823180.db2.gz BIVVKLUPBIGXJZ-NEPJUHHUSA-N 0 0 319.409 0.701 10 0 DCAERN CCN1C[C@H](C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1=O ZINC000195277111 395823286 /nfs/dbraw/zinc/82/32/86/395823286.db2.gz BIVVKLUPBIGXJZ-VXGBXAGGSA-N 0 0 319.409 0.701 10 0 DCAERN O=C(NCCN1C(=O)CNC1=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000113193261 395828172 /nfs/dbraw/zinc/82/81/72/395828172.db2.gz FQEGSZUOQOPYOB-UWVGGRQHSA-N 0 0 323.299 0.736 10 0 DCAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCOC2)c1 ZINC000113200295 395828350 /nfs/dbraw/zinc/82/83/50/395828350.db2.gz QJEFGWBLXRJXKR-QMMMGPOBSA-N 0 0 318.782 0.896 10 0 DCAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000195476151 395828706 /nfs/dbraw/zinc/82/87/06/395828706.db2.gz BHBLWJYBQSXHQB-HTRCEHHLSA-N 0 0 320.802 0.185 10 0 DCAERN COC[C@H](C)NC(=O)NC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195506251 395829875 /nfs/dbraw/zinc/82/98/75/395829875.db2.gz RJXCPVXKUGRJBN-NSHDSACASA-N 0 0 323.397 0.450 10 0 DCAERN NS(=O)(=O)c1cnn(CCC(=O)NCCC2CCCC2)c1 ZINC000195491639 395829917 /nfs/dbraw/zinc/82/99/17/395829917.db2.gz UCVLYGKTHXJVKQ-UHFFFAOYSA-N 0 0 314.411 0.617 10 0 DCAERN CC[C@H](C)NC(=O)CN1CCC(c2ccnn2CCO)CC1 ZINC000195509108 395830872 /nfs/dbraw/zinc/83/08/72/395830872.db2.gz AGBBPRXWLSMHJQ-ZDUSSCGKSA-N 0 0 308.426 0.970 10 0 DCAERN Cc1nc(S(=O)(=O)NCc2cccnc2N(C)C)cn1C ZINC000195527541 395831535 /nfs/dbraw/zinc/83/15/35/395831535.db2.gz QDLDLFOVGGQPON-UHFFFAOYSA-N 0 0 309.395 0.668 10 0 DCAERN O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NCC(=O)N1CCCC1 ZINC000114203077 395833161 /nfs/dbraw/zinc/83/31/61/395833161.db2.gz XEQIPDLIPJRTLA-CQSZACIVSA-N 0 0 319.409 0.675 10 0 DCAERN CSC(N)=NC(=O)c1nc(Br)c(N)nc1N ZINC000219777319 395846431 /nfs/dbraw/zinc/84/64/31/395846431.db2.gz NYXLFORJQPUBNZ-UHFFFAOYSA-N 0 0 305.161 0.221 10 0 DCAERN CC(C)(C)c1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[nH]n1 ZINC000116834203 395846943 /nfs/dbraw/zinc/84/69/43/395846943.db2.gz JLASKOLLNMJGOM-SECBINFHSA-N 0 0 314.411 0.471 10 0 DCAERN CCS[C@@H](C(=O)N1CC[C@H](NS(C)(=O)=O)C1)C(C)C ZINC000116833934 395847008 /nfs/dbraw/zinc/84/70/08/395847008.db2.gz PKXIPNFYOPLPTE-WDEREUQCSA-N 0 0 308.469 0.914 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCCOC)C[C@@H]1CC ZINC000116899158 395848517 /nfs/dbraw/zinc/84/85/17/395848517.db2.gz ZHWGJIAYSGNICE-AWEZNQCLSA-N 0 0 322.471 0.785 10 0 DCAERN Cc1ccccc1NC(=O)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116889357 395848638 /nfs/dbraw/zinc/84/86/38/395848638.db2.gz JJIDPWBYMOQWNJ-GFCCVEGCSA-N 0 0 311.407 0.557 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000116890317 395849021 /nfs/dbraw/zinc/84/90/21/395849021.db2.gz KNHOECWSGOSFKO-CABZTGNLSA-N 0 0 320.361 0.622 10 0 DCAERN Cc1ccc(CNC(=O)CN2CCC[C@@](O)(C(N)=O)C2)cc1F ZINC000225480281 395860853 /nfs/dbraw/zinc/86/08/53/395860853.db2.gz FNULQHYQSSJEEO-INIZCTEOSA-N 0 0 323.368 0.063 10 0 DCAERN Cc1csc(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000116936335 395849583 /nfs/dbraw/zinc/84/95/83/395849583.db2.gz HXMZDTLLRHVQHP-VIFPVBQESA-N 0 0 318.424 0.285 10 0 DCAERN O=C(c1ccc(=O)[nH]n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000221955482 395851490 /nfs/dbraw/zinc/85/14/90/395851490.db2.gz GJHZAVXOFMSYOU-GHMZBOCLSA-N 0 0 309.391 0.897 10 0 DCAERN Cc1cnn(CCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000117815515 395855100 /nfs/dbraw/zinc/85/51/00/395855100.db2.gz IRVNYQUKGWTCJV-LBPRGKRZSA-N 0 0 314.411 0.122 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000051857075 395855568 /nfs/dbraw/zinc/85/55/68/395855568.db2.gz AFXYOOFUYDNRJA-UONOGXRCSA-N 0 0 309.410 0.367 10 0 DCAERN Cn1nccc1CNC(=O)CSc1nnnn1C1CCCC1 ZINC000047458212 395793092 /nfs/dbraw/zinc/79/30/92/395793092.db2.gz GANCHJAQNUNALO-UHFFFAOYSA-N 0 0 321.410 0.930 10 0 DCAERN CNc1ncnc2c1cnn2CC(=O)Nc1cc(C)nn1C ZINC000194429513 395796630 /nfs/dbraw/zinc/79/66/30/395796630.db2.gz QKEGZLJFYKVRDL-UHFFFAOYSA-N 0 0 300.326 0.549 10 0 DCAERN CS(=O)(=O)CCN(C(=O)[C@H]1CCCCC(=O)N1)C1CC1 ZINC000194404044 395796638 /nfs/dbraw/zinc/79/66/38/395796638.db2.gz BHRYVHRWCIQESV-LLVKDONJSA-N 0 0 302.396 0.081 10 0 DCAERN Cn1nnc2ccc(C(=O)N3CCOC[C@@]34CCOC4)cc21 ZINC000194427530 395796697 /nfs/dbraw/zinc/79/66/97/395796697.db2.gz PQNXLHHUCGDLFW-HNNXBMFYSA-N 0 0 302.334 0.600 10 0 DCAERN O=C(NCCCN1CCCC1=O)c1cc2c([nH]c1=O)CCCC2 ZINC000109245990 395796904 /nfs/dbraw/zinc/79/69/04/395796904.db2.gz QPVBINZGXNKNPZ-UHFFFAOYSA-N 0 0 317.389 0.996 10 0 DCAERN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCNC(=O)[C@H]1C ZINC000194570436 395799814 /nfs/dbraw/zinc/79/98/14/395799814.db2.gz ALADQHRTQCBARX-BDAKNGLRSA-N 0 0 323.315 0.427 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000245471164 395929409 /nfs/dbraw/zinc/92/94/09/395929409.db2.gz XIWMQXVINSOHIO-TUAOUCFPSA-N 0 0 306.366 0.689 10 0 DCAERN Cc1ccc(-n2cc(C(=O)N[C@@H](C)Cn3cncn3)nn2)cc1 ZINC000125275975 395902554 /nfs/dbraw/zinc/90/25/54/395902554.db2.gz SIWRIFHIMRRGRV-LBPRGKRZSA-N 0 0 311.349 0.986 10 0 DCAERN COC(=O)CNC(=O)CCN1CCO[C@H](c2ccsc2)C1 ZINC000125479545 395902879 /nfs/dbraw/zinc/90/28/79/395902879.db2.gz OKZYUGYMCWXBCX-LBPRGKRZSA-N 0 0 312.391 0.801 10 0 DCAERN NC(=O)NC(=O)CN1CCC(OCCc2ccccc2)CC1 ZINC000125764017 395905707 /nfs/dbraw/zinc/90/57/07/395905707.db2.gz LTRXIIQRFJDMCZ-UHFFFAOYSA-N 0 0 305.378 0.905 10 0 DCAERN O=C(CN1CCN(C2CC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000125826422 395906450 /nfs/dbraw/zinc/90/64/50/395906450.db2.gz NEKULAUNKCNABJ-HZPDHXFCSA-N 0 0 307.438 0.936 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1COCCN1)c1ccc(N2CCCC2=O)cc1 ZINC000237364970 395910965 /nfs/dbraw/zinc/91/09/65/395910965.db2.gz FAQVMDGKHONRSC-DOMZBBRYSA-N 0 0 317.389 0.979 10 0 DCAERN CCN1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126339910 395912244 /nfs/dbraw/zinc/91/22/44/395912244.db2.gz PFDNMRVUABQSFL-OLZOCXBDSA-N 0 0 317.455 0.689 10 0 DCAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCO2)cc1F ZINC000273567307 395930756 /nfs/dbraw/zinc/93/07/56/395930756.db2.gz ZZXSDJXGBPPXJZ-UHFFFAOYSA-N 0 0 324.355 0.523 10 0 DCAERN CCOC(=O)CNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000242954575 395923651 /nfs/dbraw/zinc/92/36/51/395923651.db2.gz HGXWZUBMLGNQHO-VIFPVBQESA-N 0 0 304.302 0.350 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000056017306 395925747 /nfs/dbraw/zinc/92/57/47/395925747.db2.gz BTBJDKQBOVEZEW-KOLCDFICSA-N 0 0 317.345 0.744 10 0 DCAERN CC(=O)N1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000052310521 395862626 /nfs/dbraw/zinc/86/26/26/395862626.db2.gz ASPNQGGHICEWHX-JKSUJKDBSA-N 0 0 323.437 0.711 10 0 DCAERN CCCN(C)S(=O)(=O)NCc1cccnc1-n1ccnc1 ZINC000119565165 395872278 /nfs/dbraw/zinc/87/22/78/395872278.db2.gz QMJTXDUAQJRNAM-UHFFFAOYSA-N 0 0 309.395 0.944 10 0 DCAERN Cn1cc(NC(=O)[C@H]2OCCc3ccccc32)c(=O)n(C)c1=O ZINC000121967457 395885905 /nfs/dbraw/zinc/88/59/05/395885905.db2.gz JSDUTHBJNAHODM-ZDUSSCGKSA-N 0 0 315.329 0.337 10 0 DCAERN CCCn1c(=O)[nH]nc1SCC(=O)CCC(=O)OCC ZINC000233372932 395886906 /nfs/dbraw/zinc/88/69/06/395886906.db2.gz FDUVNLNDAQDOAB-UHFFFAOYSA-N 0 0 301.368 0.986 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](C)Cc1c(C)nn(C)c1C ZINC000152003253 395998264 /nfs/dbraw/zinc/99/82/64/395998264.db2.gz HXOQDHNTZBXKPA-SECBINFHSA-N 0 0 316.427 0.023 10 0 DCAERN CC[C@@H]1CN(C(=O)C(=O)c2cnn(CC)c2)CCN1CCOC ZINC000135101953 395936991 /nfs/dbraw/zinc/93/69/91/395936991.db2.gz UULBJXDJJKJCOJ-CQSZACIVSA-N 0 0 322.409 0.655 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000246231100 395944376 /nfs/dbraw/zinc/94/43/76/395944376.db2.gz JXHWPWDERPKWSL-YNEHKIRRSA-N 0 0 320.455 0.714 10 0 DCAERN COCC(=O)N(C)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000136366451 395946203 /nfs/dbraw/zinc/94/62/03/395946203.db2.gz SAFKXTOTLRVZJR-NSHDSACASA-N 0 0 324.381 0.961 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000057621453 395946322 /nfs/dbraw/zinc/94/63/22/395946322.db2.gz YVUFOGFDXKSJFQ-ZDUSSCGKSA-N 0 0 315.329 0.862 10 0 DCAERN O=C(Cn1c(=O)[nH]c2ccccc21)NCCSCCCO ZINC000137019041 395949192 /nfs/dbraw/zinc/94/91/92/395949192.db2.gz XGYUHQDUFNBQQM-UHFFFAOYSA-N 0 0 309.391 0.561 10 0 DCAERN COC(=O)[C@H](C)CS(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000246523239 395951892 /nfs/dbraw/zinc/95/18/92/395951892.db2.gz UJLHLGFMWVQCIM-NEPJUHHUSA-N 0 0 304.412 0.295 10 0 DCAERN CCNS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246618505 395954442 /nfs/dbraw/zinc/95/44/42/395954442.db2.gz IFUOTSZLGFAQCI-CABZTGNLSA-N 0 0 306.334 0.927 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000246839403 395958915 /nfs/dbraw/zinc/95/89/15/395958915.db2.gz CIVMRENKMHLZBL-JHJVBQTASA-N 0 0 318.439 0.468 10 0 DCAERN Cc1cc(C)n2nc(CC(=O)N3C[C@@H](C)OC[C@@H]3C)nc2n1 ZINC000059251464 395959163 /nfs/dbraw/zinc/95/91/63/395959163.db2.gz SSIOBHJAYUIUBC-NWDGAFQWSA-N 0 0 303.366 0.919 10 0 DCAERN CCN(CC)c1ccc([C@H](O)[C@H](O)C2OCC(=O)CO2)cc1 ZINC000145200083 395964058 /nfs/dbraw/zinc/96/40/58/395964058.db2.gz DMZLTUMHHSLANN-GJZGRUSLSA-N 0 0 309.362 0.869 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000247236690 395969695 /nfs/dbraw/zinc/96/96/95/395969695.db2.gz XJYPRHWRURAWHW-HZSPNIEDSA-N 0 0 312.410 0.803 10 0 DCAERN CN1C[C@@H](Nc2cc(N3CCC[C@@H]3CO)ncn2)CCC1=O ZINC000150879079 395974234 /nfs/dbraw/zinc/97/42/34/395974234.db2.gz JVOWMROIVWBRLH-NWDGAFQWSA-N 0 0 305.382 0.470 10 0 DCAERN CC[C@H](COC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000151274197 395982719 /nfs/dbraw/zinc/98/27/19/395982719.db2.gz OVVKCSUWDDAYPI-SNVBAGLBSA-N 0 0 305.334 0.231 10 0 DCAERN CC(C)[C@@H]1CCCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000063814643 395983032 /nfs/dbraw/zinc/98/30/32/395983032.db2.gz HTMFQXJUJBFTBT-LBPRGKRZSA-N 0 0 303.366 0.777 10 0 DCAERN CCOCCN1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000248334306 395984286 /nfs/dbraw/zinc/98/42/86/395984286.db2.gz GCJJDIUSWQOITR-CQSZACIVSA-N 0 0 322.471 0.784 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000248357170 395984369 /nfs/dbraw/zinc/98/43/69/395984369.db2.gz PEDLCTGIWXJMLN-QWRGUYRKSA-N 0 0 301.412 0.316 10 0 DCAERN C[S@@](=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000151397503 395985307 /nfs/dbraw/zinc/98/53/07/395985307.db2.gz MCXSZRPVBGYZOT-NRFANRHFSA-N 0 0 311.407 0.566 10 0 DCAERN CC(=O)Nc1ccc(S(=O)(=O)C2=CCS(=O)(=O)C2)cc1 ZINC000064873933 395989907 /nfs/dbraw/zinc/98/99/07/395989907.db2.gz VUQKBAWEMWOXCC-UHFFFAOYSA-N 0 0 315.372 0.731 10 0 DCAERN CC(=O)c1cccc(OC[C@H](O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000249023510 396001829 /nfs/dbraw/zinc/00/18/29/396001829.db2.gz KNFNSIBZHOGUIQ-IUODEOHRSA-N 0 0 320.389 0.839 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000248661102 395993530 /nfs/dbraw/zinc/99/35/30/395993530.db2.gz ZYKCIUCOPHSHBH-RWMBFGLXSA-N 0 0 306.428 0.435 10 0 DCAERN CCn1cc([C@@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)cn1 ZINC000248690829 395994576 /nfs/dbraw/zinc/99/45/76/395994576.db2.gz ACTKTVDBOLTYIL-CABCVRRESA-N 0 0 305.382 0.534 10 0 DCAERN C[C@@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H](C)CO ZINC000151866228 395994944 /nfs/dbraw/zinc/99/49/44/395994944.db2.gz ALTWWUXXWSZRLU-JTNHKYCSSA-N 0 0 318.373 0.639 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000151971284 395997500 /nfs/dbraw/zinc/99/75/00/395997500.db2.gz XUDOJVREMLTHPU-JTQLQIEISA-N 0 0 321.303 0.898 10 0 DCAERN COc1ccc(C(=O)NCC(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000151952681 395997721 /nfs/dbraw/zinc/99/77/21/395997721.db2.gz ZHNNCFWSXPTNTH-KBPBESRZSA-N 0 0 306.362 0.845 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000069141625 396071121 /nfs/dbraw/zinc/07/11/21/396071121.db2.gz IFSQMQHDBIXBCX-IUCAKERBSA-N 0 0 318.420 0.953 10 0 DCAERN CC[C@@H]1CN(C(=O)N[C@H](C)C(=O)N(C)C)CCN1CC(F)F ZINC000252736644 396025111 /nfs/dbraw/zinc/02/51/11/396025111.db2.gz YVYSLQCYBKIRMU-GHMZBOCLSA-N 0 0 320.384 0.834 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000067611739 396029390 /nfs/dbraw/zinc/02/93/90/396029390.db2.gz HCOSNDFZESGONB-KGLIPLIRSA-N 0 0 323.418 0.829 10 0 DCAERN CCCNC(=O)CCC(=O)N1CCN(c2cccnn2)CC1 ZINC000069156978 396071457 /nfs/dbraw/zinc/07/14/57/396071457.db2.gz RSIZUJPRSIXWEI-UHFFFAOYSA-N 0 0 305.382 0.432 10 0 DCAERN C[C@H](NS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000067717664 396031890 /nfs/dbraw/zinc/03/18/90/396031890.db2.gz NDROSHFGYFOSSI-AXFHLTTASA-N 0 0 321.443 0.233 10 0 DCAERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)CN1CCCC1=O ZINC000276855147 396032969 /nfs/dbraw/zinc/03/29/69/396032969.db2.gz ZWFYTKKHTPWQPW-XHDPSFHLSA-N 0 0 306.366 0.236 10 0 DCAERN Cc1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c(C)n1 ZINC000067824745 396034840 /nfs/dbraw/zinc/03/48/40/396034840.db2.gz CLUABJALDMDZCS-LBPRGKRZSA-N 0 0 311.407 0.852 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000154611973 396040611 /nfs/dbraw/zinc/04/06/11/396040611.db2.gz IDPMDTIWLQOLBW-MNOVXSKESA-N 0 0 305.382 0.750 10 0 DCAERN CO[C@@H]1CN([C@H]2CCN(c3cc(C)nn3C)C2=O)C[C@@H]1OC ZINC000276978144 396041458 /nfs/dbraw/zinc/04/14/58/396041458.db2.gz YYCVPPHKSBKIQB-RWMBFGLXSA-N 0 0 308.382 0.179 10 0 DCAERN Cc1cc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)on1 ZINC000155259164 396048375 /nfs/dbraw/zinc/04/83/75/396048375.db2.gz CDWWRTCVYGWTIC-UHFFFAOYSA-N 0 0 301.368 0.431 10 0 DCAERN CCn1cnnc1C1CCN([C@@H](C)C(=O)NCC(=O)OC)CC1 ZINC000155398542 396051244 /nfs/dbraw/zinc/05/12/44/396051244.db2.gz PMZACRSOTAWCKB-NSHDSACASA-N 0 0 323.397 0.155 10 0 DCAERN C[C@@H](C(=O)Nc1ncccn1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000155424971 396051355 /nfs/dbraw/zinc/05/13/55/396051355.db2.gz ILUOYWXOJKCPOA-JTQLQIEISA-N 0 0 312.395 0.313 10 0 DCAERN CCNC(=O)N1CC[C@@H](n2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000155486040 396052352 /nfs/dbraw/zinc/05/23/52/396052352.db2.gz IBOFEKQLSGGHDK-SNVBAGLBSA-N 0 0 302.334 0.666 10 0 DCAERN C[S@](=O)CCC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000155835264 396058373 /nfs/dbraw/zinc/05/83/73/396058373.db2.gz NVQDYMCAEAVPKG-ZUOKHONESA-N 0 0 302.440 0.326 10 0 DCAERN O=C(N[C@@H]1CCCOC1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000276491271 396002572 /nfs/dbraw/zinc/00/25/72/396002572.db2.gz OVKKPXNHGAJITB-VXGBXAGGSA-N 0 0 321.381 0.629 10 0 DCAERN Cc1cnn(C[C@@H]2CN(CCN3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107463 396002809 /nfs/dbraw/zinc/00/28/09/396002809.db2.gz XHTOEYKDQHNUBR-HOTGVXAUSA-N 0 0 308.426 0.613 10 0 DCAERN COC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1 ZINC000066340582 396005581 /nfs/dbraw/zinc/00/55/81/396005581.db2.gz PDCFJFZUWWPZLO-ZDUSSCGKSA-N 0 0 304.346 0.857 10 0 DCAERN O=C(CN1CCC[C@@H](c2nncn2C2CC2)C1)N1CCOCC1 ZINC000152413092 396008849 /nfs/dbraw/zinc/00/88/49/396008849.db2.gz MJNALVHYAZBYMI-CYBMUJFWSA-N 0 0 319.409 0.651 10 0 DCAERN C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCN1CCO ZINC000249516789 396009191 /nfs/dbraw/zinc/00/91/91/396009191.db2.gz RRELQLOKQXDUCZ-RDGKXADDSA-N 0 0 308.422 0.907 10 0 DCAERN CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000250154739 396013834 /nfs/dbraw/zinc/01/38/34/396013834.db2.gz NQFBMVRSQFKCJM-AVGNSLFASA-N 0 0 314.430 0.310 10 0 DCAERN CN1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000250424851 396014598 /nfs/dbraw/zinc/01/45/98/396014598.db2.gz FJMJUXJZDPKPQO-TZMCWYRMSA-N 0 0 304.346 0.215 10 0 DCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNC(=O)C(C)C ZINC000152733444 396015185 /nfs/dbraw/zinc/01/51/85/396015185.db2.gz BNIXFCLGRUHVGB-LBPRGKRZSA-N 0 0 322.413 0.883 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC2(C1)OCCO2 ZINC000152804012 396016020 /nfs/dbraw/zinc/01/60/20/396016020.db2.gz JZBXUPXFOOWFNR-GFCCVEGCSA-N 0 0 321.381 0.970 10 0 DCAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1O ZINC000250965087 396016041 /nfs/dbraw/zinc/01/60/41/396016041.db2.gz ZOVFMGYRZWNKHU-QJPTWQEYSA-N 0 0 304.412 0.078 10 0 DCAERN CCc1cccc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000153018221 396018963 /nfs/dbraw/zinc/01/89/63/396018963.db2.gz WGOUIONNXFVTDQ-UHFFFAOYSA-N 0 0 310.419 0.895 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000163718250 396086864 /nfs/dbraw/zinc/08/68/64/396086864.db2.gz OPTCQPKSJQHIQW-YPMHNXCESA-N 0 0 306.362 0.884 10 0 DCAERN CCOC(=O)CC(=O)CNC(=O)CC(=O)OCc1ccccc1 ZINC000165608669 396088422 /nfs/dbraw/zinc/08/84/22/396088422.db2.gz YGAJTLCTZLPLMK-UHFFFAOYSA-N 0 0 321.329 0.758 10 0 DCAERN CCCNC(=O)NC[C@H]1Cn2cccc2C(=O)N1CCOC ZINC000169778879 396091976 /nfs/dbraw/zinc/09/19/76/396091976.db2.gz RGPRLTQCYANOIA-LBPRGKRZSA-N 0 0 308.382 0.668 10 0 DCAERN CC(C)N(CC(N)=O)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000073061380 396141342 /nfs/dbraw/zinc/14/13/42/396141342.db2.gz QCAPXTWXPFHGFQ-NSHDSACASA-N 0 0 306.366 0.919 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCN2CCOCC2)cn1 ZINC000170881159 396100361 /nfs/dbraw/zinc/10/03/61/396100361.db2.gz DXOCGKFTNDRQEP-HNNXBMFYSA-N 0 0 321.425 0.989 10 0 DCAERN COc1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1F ZINC000170921283 396101136 /nfs/dbraw/zinc/10/11/36/396101136.db2.gz PHJNDVJFNMMOQO-LBPRGKRZSA-N 0 0 311.357 0.964 10 0 DCAERN O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCCOC1 ZINC000170937171 396102436 /nfs/dbraw/zinc/10/24/36/396102436.db2.gz ISIFAHLTJPNHDZ-SNVBAGLBSA-N 0 0 318.420 0.712 10 0 DCAERN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CCCOC1 ZINC000171567216 396118475 /nfs/dbraw/zinc/11/84/75/396118475.db2.gz YEMUFYDTUSVKQZ-LLVKDONJSA-N 0 0 304.350 0.477 10 0 DCAERN Cn1cc(N2CCN(C[C@@H](O)COC(C)(C)C)CC2=O)cn1 ZINC000175792242 396142780 /nfs/dbraw/zinc/14/27/80/396142780.db2.gz NASIBNBTXPTMDM-CYBMUJFWSA-N 0 0 310.398 0.245 10 0 DCAERN CC[C@H](C(=O)OC)N1CCN(c2ccc3nncn3n2)CC1 ZINC000171629175 396120907 /nfs/dbraw/zinc/12/09/07/396120907.db2.gz VDTUPVMGPWJLRJ-LLVKDONJSA-N 0 0 304.354 0.198 10 0 DCAERN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@H]1CCCOC1 ZINC000171693213 396122620 /nfs/dbraw/zinc/12/26/20/396122620.db2.gz MAIQHUXJRTXVIJ-NSHDSACASA-N 0 0 317.345 0.375 10 0 DCAERN CCNC(=O)CN(CC)C(=O)NCCNC(=O)c1ccccc1 ZINC000171732897 396123238 /nfs/dbraw/zinc/12/32/38/396123238.db2.gz HRUDIVKCUUQBNS-UHFFFAOYSA-N 0 0 320.393 0.584 10 0 DCAERN C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000278550509 396130912 /nfs/dbraw/zinc/13/09/12/396130912.db2.gz IJPKNGMHMVYCPE-ZIAGYGMSSA-N 0 0 319.409 0.775 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)CCc3cnn(C)c3)CCO2)[nH]1 ZINC000173520338 396135591 /nfs/dbraw/zinc/13/55/91/396135591.db2.gz APDVVCUIHONZMZ-GFCCVEGCSA-N 0 0 304.354 0.379 10 0 DCAERN Cc1nnc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)[nH]1 ZINC000173520929 396135686 /nfs/dbraw/zinc/13/56/86/396135686.db2.gz YREVIUJQELNQAD-LBPRGKRZSA-N 0 0 316.365 0.929 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173780191 396136236 /nfs/dbraw/zinc/13/62/36/396136236.db2.gz CAANBNNDOKJWLE-CQSZACIVSA-N 0 0 324.425 0.115 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@](C)(O)C1)CC2 ZINC000162195854 396079039 /nfs/dbraw/zinc/07/90/39/396079039.db2.gz DEZMQONXBSVPKI-ABAIWWIYSA-N 0 0 307.398 0.712 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000175574285 396140619 /nfs/dbraw/zinc/14/06/19/396140619.db2.gz FMBIJUJLZKXBMM-DZGCQCFKSA-N 0 0 324.402 0.668 10 0 DCAERN NC(=O)c1ccc(=O)n(Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000069563735 396082651 /nfs/dbraw/zinc/08/26/51/396082651.db2.gz MNFGHRQVVHFTCM-UHFFFAOYSA-N 0 0 307.693 0.773 10 0 DCAERN O=C(NCc1cccc(-n2cncn2)c1)[C@H]1CC(F)(F)CN1 ZINC000263195563 396205014 /nfs/dbraw/zinc/20/50/14/396205014.db2.gz IHYPDCDSQGILKO-GFCCVEGCSA-N 0 0 307.304 0.881 10 0 DCAERN O=C([C@@H]1CC(F)(F)CN1)N1CCC(N2CCCC2=O)CC1 ZINC000263311329 396212864 /nfs/dbraw/zinc/21/28/64/396212864.db2.gz YRBYMEBQQQXSBP-NSHDSACASA-N 0 0 301.337 0.597 10 0 DCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)CC2 ZINC000263244788 396208347 /nfs/dbraw/zinc/20/83/47/396208347.db2.gz PDNDYQPHKFPHPE-UWVGGRQHSA-N 0 0 313.352 0.830 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCC(Nc2cccnn2)CC1 ZINC000263245872 396208589 /nfs/dbraw/zinc/20/85/89/396208589.db2.gz PHGGXUAOOAQJKU-LLVKDONJSA-N 0 0 311.336 0.877 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)CC(C)(C)OC)cn1 ZINC000175966525 396146874 /nfs/dbraw/zinc/14/68/74/396146874.db2.gz HYGSKACZLZQGRR-JTQLQIEISA-N 0 0 311.386 0.954 10 0 DCAERN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CN1CC(=O)NC1=O ZINC000176538356 396156504 /nfs/dbraw/zinc/15/65/04/396156504.db2.gz SZIZOSVULDIEFX-WCQYABFASA-N 0 0 301.346 0.943 10 0 DCAERN CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000262598386 396159603 /nfs/dbraw/zinc/15/96/03/396159603.db2.gz AKGVNEJOUGXZDE-PHDIDXHHSA-N 0 0 307.401 0.222 10 0 DCAERN O=C([C@@H]1COCCN1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262630449 396164122 /nfs/dbraw/zinc/16/41/22/396164122.db2.gz MNGNUZVZLRNHCX-NEPJUHHUSA-N 0 0 306.366 0.641 10 0 DCAERN Cc1nonc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000074543995 396168620 /nfs/dbraw/zinc/16/86/20/396168620.db2.gz YZBRISACKCDJSN-PWSUYJOCSA-N 0 0 301.306 0.931 10 0 DCAERN C[C@H]1CN(C(=O)NCCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000177298167 396171093 /nfs/dbraw/zinc/17/10/93/396171093.db2.gz GDWCVBQZKYKCBH-UONOGXRCSA-N 0 0 307.398 0.245 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](CNC(=O)C(C)C)C2)nn1 ZINC000074746181 396171151 /nfs/dbraw/zinc/17/11/51/396171151.db2.gz UKYQRXGZFCHMHJ-GFCCVEGCSA-N 0 0 319.409 0.825 10 0 DCAERN Cn1nc(CC(=O)NCC(F)(F)CN)c2ccccc2c1=O ZINC000262712516 396175209 /nfs/dbraw/zinc/17/52/09/396175209.db2.gz QGLFIFMDKAGNRR-UHFFFAOYSA-N 0 0 310.304 0.186 10 0 DCAERN Cn1cc(N2CCN(C[C@](C)(O)c3ccccc3)CC2=O)cn1 ZINC000177444672 396175658 /nfs/dbraw/zinc/17/56/58/396175658.db2.gz UHLFCAKPQOVFAJ-KRWDZBQOSA-N 0 0 314.389 0.976 10 0 DCAERN Cn1c2nnc(CSC[C@@H](O)CO)n2c2ccccc2c1=O ZINC000177441853 396176081 /nfs/dbraw/zinc/17/60/81/396176081.db2.gz ISJDLJTYCRDXPQ-VIFPVBQESA-N 0 0 320.374 0.168 10 0 DCAERN COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000177523866 396178268 /nfs/dbraw/zinc/17/82/68/396178268.db2.gz XJGWLFQODOTJEC-IINYFYTJSA-N 0 0 307.354 0.188 10 0 DCAERN CC[C@@H](C(=O)N1CCC[C@]2(CNC(=O)C2)C1)N1CCCC1=O ZINC000075259602 396178812 /nfs/dbraw/zinc/17/88/12/396178812.db2.gz PRMDGVCZZSYKTE-LRDDRELGSA-N 0 0 307.394 0.516 10 0 DCAERN C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cnn(C)c1 ZINC000177587456 396179805 /nfs/dbraw/zinc/17/98/05/396179805.db2.gz KTXPRPHHDFDWNV-SECBINFHSA-N 0 0 303.384 0.771 10 0 DCAERN O=C(NCc1cn2c(n1)CCCC2)N1CC(=O)N(C2CC2)C1 ZINC000279554130 396182614 /nfs/dbraw/zinc/18/26/14/396182614.db2.gz MUZZKZFUGCMBKF-UHFFFAOYSA-N 0 0 303.366 0.693 10 0 DCAERN COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263072383 396200413 /nfs/dbraw/zinc/20/04/13/396200413.db2.gz WQVRHLFHMOPDBH-QWRGUYRKSA-N 0 0 319.352 0.079 10 0 DCAERN O=C([C@H]1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1 ZINC000263078010 396200678 /nfs/dbraw/zinc/20/06/78/396200678.db2.gz XHRJSLXNXWDJAI-GFCCVEGCSA-N 0 0 315.364 0.987 10 0 DCAERN COc1ccc(NC(=O)C(=O)NCc2noc(C)n2)c(C)c1 ZINC000076415926 396203247 /nfs/dbraw/zinc/20/32/47/396203247.db2.gz YUHIDDBNWMRYLB-UHFFFAOYSA-N 0 0 304.306 0.950 10 0 DCAERN Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263164865 396204340 /nfs/dbraw/zinc/20/43/40/396204340.db2.gz FDFHAUJIIXIABP-NSHDSACASA-N 0 0 313.352 0.062 10 0 DCAERN Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H]1CCN(C)C1=O ZINC000180994553 396236460 /nfs/dbraw/zinc/23/64/60/396236460.db2.gz NNFTZQFKNLUGGB-CYBMUJFWSA-N 0 0 307.398 0.499 10 0 DCAERN CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1=O ZINC000077940052 396237099 /nfs/dbraw/zinc/23/70/99/396237099.db2.gz WPPPUVZXRJXMQN-DGCLKSJQSA-N 0 0 321.377 0.474 10 0 DCAERN O=C(NCCCn1ccnn1)NCc1ccc2c(c1)OCO2 ZINC000181555467 396239591 /nfs/dbraw/zinc/23/95/91/396239591.db2.gz SVVUWDJSOMKRCR-UHFFFAOYSA-N 0 0 303.322 0.896 10 0 DCAERN Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2F)cn1 ZINC000181702922 396241375 /nfs/dbraw/zinc/24/13/75/396241375.db2.gz MXOYRFOMMIESQM-ZDUSSCGKSA-N 0 0 324.381 0.894 10 0 DCAERN CC(C)(CNC(=O)NCCCn1ccnn1)N1CCOCC1 ZINC000182041064 396246076 /nfs/dbraw/zinc/24/60/76/396246076.db2.gz MEQLGOMUTMFXTO-UHFFFAOYSA-N 0 0 310.402 0.078 10 0 DCAERN Cc1ccnn1-c1ccccc1NC(=O)CN1CC(=O)NC1=O ZINC000182215163 396248032 /nfs/dbraw/zinc/24/80/32/396248032.db2.gz HTTUAHSEBXEBMB-UHFFFAOYSA-N 0 0 313.317 0.671 10 0 DCAERN NC(=O)c1cccc(CCNC(=O)NCCCn2ccnn2)c1 ZINC000182424553 396250530 /nfs/dbraw/zinc/25/05/30/396250530.db2.gz VVFOBOFIIXTFMF-UHFFFAOYSA-N 0 0 316.365 0.309 10 0 DCAERN O=C(NCCCn1ccnn1)NC[C@H](CO)c1ccccc1 ZINC000182469145 396250749 /nfs/dbraw/zinc/25/07/49/396250749.db2.gz WZQHTRXEMOUUTJ-CQSZACIVSA-N 0 0 303.366 0.744 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CC(=O)N(C)[C@@H](C)C2)cn1 ZINC000282340873 396282014 /nfs/dbraw/zinc/28/20/14/396282014.db2.gz LCTLWCWZUPHLRP-CORIIIEPSA-N 0 0 320.393 0.670 10 0 DCAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(N)=O)cc2)CCS1 ZINC000264167759 396259232 /nfs/dbraw/zinc/25/92/32/396259232.db2.gz XUANCFHXYMRPSJ-VIFPVBQESA-N 0 0 300.405 0.912 10 0 DCAERN CC(C)CCn1ccc(NC(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC000183234373 396264725 /nfs/dbraw/zinc/26/47/25/396264725.db2.gz YCVXRBDRSNONAB-SNVBAGLBSA-N 0 0 307.354 0.856 10 0 DCAERN Cc1cc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c(C)o1 ZINC000183330409 396267643 /nfs/dbraw/zinc/26/76/43/396267643.db2.gz TYYONBFIMCUBJR-CYBMUJFWSA-N 0 0 303.380 0.964 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCCCNC1=O ZINC000079664108 396269196 /nfs/dbraw/zinc/26/91/96/396269196.db2.gz NBNQWXJSABXSEP-YPMHNXCESA-N 0 0 318.377 0.982 10 0 DCAERN Cc1noc(CCNC(=O)c2ccnc(O[C@H]3CCOC3)c2)n1 ZINC000183416106 396270434 /nfs/dbraw/zinc/27/04/34/396270434.db2.gz OYCOZLNYRQXGHE-LBPRGKRZSA-N 0 0 318.333 0.913 10 0 DCAERN CS(=O)(=O)CCN1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000183534828 396270692 /nfs/dbraw/zinc/27/06/92/396270692.db2.gz LJOMCENGLOGLQC-LBPRGKRZSA-N 0 0 316.810 0.858 10 0 DCAERN CS(=O)(=O)CCN1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000183534840 396270924 /nfs/dbraw/zinc/27/09/24/396270924.db2.gz LJOMCENGLOGLQC-GFCCVEGCSA-N 0 0 316.810 0.858 10 0 DCAERN NC(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1F ZINC000183639536 396272413 /nfs/dbraw/zinc/27/24/13/396272413.db2.gz XHMBZRQIGZRFJO-UHFFFAOYSA-N 0 0 306.301 0.728 10 0 DCAERN CNc1nnc(CC(=O)N2CCN(CCOC)[C@H](C)C2)s1 ZINC000183675536 396273411 /nfs/dbraw/zinc/27/34/11/396273411.db2.gz MDCTWVQNGGGVLM-SNVBAGLBSA-N 0 0 313.427 0.301 10 0 DCAERN O=C(NC[C@@]1(O)CCOC1)c1cnn(CCC(F)(F)F)c1 ZINC000183766808 396274454 /nfs/dbraw/zinc/27/44/54/396274454.db2.gz FHOZNEIRWHPFPT-NSHDSACASA-N 0 0 307.272 0.717 10 0 DCAERN O=C(CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O)NCC1CC1 ZINC000183773870 396274734 /nfs/dbraw/zinc/27/47/34/396274734.db2.gz ZACAYQIETIBVCF-UKRRQHHQSA-N 0 0 303.362 0.470 10 0 DCAERN O=C(NCC(F)(F)CO)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000183890866 396277015 /nfs/dbraw/zinc/27/70/15/396277015.db2.gz ZKPWPWQKBHYIMR-SNVBAGLBSA-N 0 0 322.377 0.822 10 0 DCAERN COc1ccccc1C(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000183959668 396279204 /nfs/dbraw/zinc/27/92/04/396279204.db2.gz BGMQLSUILCBTRP-CYBMUJFWSA-N 0 0 318.373 0.811 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)C[C@@H](O)C(C)C)C2=O)n(C)n1 ZINC000178967414 396216880 /nfs/dbraw/zinc/21/68/80/396216880.db2.gz GWBRZZFUUICCPY-QWHCGFSZSA-N 0 0 322.409 0.747 10 0 DCAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)[C@H]2C[C@@H](OC)C2)C1 ZINC000263478003 396218184 /nfs/dbraw/zinc/21/81/84/396218184.db2.gz NDJRTVNXJKCJML-JSTMSRMQSA-N 0 0 313.398 0.743 10 0 DCAERN Cn1cc(OC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)cn1 ZINC000179023521 396218855 /nfs/dbraw/zinc/21/88/55/396218855.db2.gz MACDZWFILNNMSJ-GXTWGEPZSA-N 0 0 300.318 0.940 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2F)C1 ZINC000280764637 396219924 /nfs/dbraw/zinc/21/99/24/396219924.db2.gz LVAPSZKTEXEVMF-SSDOTTSWSA-N 0 0 320.317 0.434 10 0 DCAERN CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)C1CCOCC1 ZINC000179297419 396225095 /nfs/dbraw/zinc/22/50/95/396225095.db2.gz SYUOUGBXXIRFPE-GFCCVEGCSA-N 0 0 320.455 0.837 10 0 DCAERN CCn1cc(C(=O)C(=O)NCCc2c(C)nn(C)c2C)cn1 ZINC000179505891 396227511 /nfs/dbraw/zinc/22/75/11/396227511.db2.gz SWZJETMCADAXMK-UHFFFAOYSA-N 0 0 303.366 0.795 10 0 DCAERN O=C(NCCNC(=O)C1CC1)NCc1cn2c(n1)CCCC2 ZINC000263767112 396229545 /nfs/dbraw/zinc/22/95/45/396229545.db2.gz JFGHWYJOQUVPLK-UHFFFAOYSA-N 0 0 305.382 0.545 10 0 DCAERN C[C@@H](NC(=O)NCCNC(=O)c1cccnc1)[C@H]1CCCO1 ZINC000077793729 396233425 /nfs/dbraw/zinc/23/34/25/396233425.db2.gz BORWXDUASIYWFZ-DGCLKSJQSA-N 0 0 306.366 0.678 10 0 DCAERN COCCCCS(=O)(=O)N1CCN(CCOC(C)C)CC1 ZINC000185012014 396314394 /nfs/dbraw/zinc/31/43/94/396314394.db2.gz FILXZKAAGZBWRX-UHFFFAOYSA-N 0 0 322.471 0.785 10 0 DCAERN Cc1nnc([C@H]2CN(S(=O)(=O)N3CCC[C@@H]3C)CCO2)[nH]1 ZINC000185031490 396315326 /nfs/dbraw/zinc/31/53/26/396315326.db2.gz ADKRUGMKMIJWAV-GXSJLCMTSA-N 0 0 315.399 0.216 10 0 DCAERN CCCC[C@H](NC(=O)NCC)C(=O)NCCCn1ccnn1 ZINC000185077923 396316798 /nfs/dbraw/zinc/31/67/98/396316798.db2.gz AZGDGCALQXSHLV-LBPRGKRZSA-N 0 0 310.402 0.662 10 0 DCAERN COCC(=O)NC1CN(C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000185093898 396317652 /nfs/dbraw/zinc/31/76/52/396317652.db2.gz RUBSMOIGGKTIII-OAHLLOKOSA-N 0 0 322.405 0.490 10 0 DCAERN CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)N3CCC[C@H]3C)[C@H]2C1 ZINC000185092251 396317895 /nfs/dbraw/zinc/31/78/95/396317895.db2.gz KSIUXRUKXWBKSQ-MQYQWHSLSA-N 0 0 318.439 0.984 10 0 DCAERN CC[C@@H](NCC(=O)NCC(=O)N1CCCC1)c1nccs1 ZINC000185097714 396318009 /nfs/dbraw/zinc/31/80/09/396318009.db2.gz ZLTSAOLSMPKWMQ-LLVKDONJSA-N 0 0 310.423 0.922 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)c2cn(CC3(C)COC3)nn2)C1 ZINC000184065889 396283561 /nfs/dbraw/zinc/28/35/61/396283561.db2.gz SPNKIKNZHCQVDQ-LBPRGKRZSA-N 0 0 321.381 0.055 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000184203443 396287558 /nfs/dbraw/zinc/28/75/58/396287558.db2.gz GEEJPYIQSVZGLD-LBPRGKRZSA-N 0 0 320.374 0.394 10 0 DCAERN CN(C[C@H](O)C(F)(F)F)C(=O)NCCCN1CCCC1=O ZINC000184204454 396287586 /nfs/dbraw/zinc/28/75/86/396287586.db2.gz JTBAXDZRSQOECD-VIFPVBQESA-N 0 0 311.304 0.564 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cccc3c2OCO3)CC(=O)N1C ZINC000282416583 396288719 /nfs/dbraw/zinc/28/87/19/396288719.db2.gz DSMAZFHVZSESGI-JTQLQIEISA-N 0 0 305.334 0.787 10 0 DCAERN CCCCN1CCOC[C@@H]1C(=O)NCc1nnc2n1CCCC2 ZINC000184277146 396289561 /nfs/dbraw/zinc/28/95/61/396289561.db2.gz JLSNWPVGXJICPL-CYBMUJFWSA-N 0 0 321.425 0.732 10 0 DCAERN COCCCCS(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000184326926 396290850 /nfs/dbraw/zinc/29/08/50/396290850.db2.gz WYCVOCOLASVJHL-LBPRGKRZSA-N 0 0 306.428 0.720 10 0 DCAERN CCCCn1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c(C)n1 ZINC000184350602 396292020 /nfs/dbraw/zinc/29/20/20/396292020.db2.gz PFHMVDFQWYRZGO-CQSZACIVSA-N 0 0 324.425 0.415 10 0 DCAERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000184347330 396292201 /nfs/dbraw/zinc/29/22/01/396292201.db2.gz NEZPGFWOPYDAKL-WCQYABFASA-N 0 0 312.391 0.513 10 0 DCAERN C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)N1CCCC[C@H]1C ZINC000184416080 396294261 /nfs/dbraw/zinc/29/42/61/396294261.db2.gz JOYREKFFHCNRGT-YVECIDJPSA-N 0 0 318.439 0.873 10 0 DCAERN O=C(CN1CCN(C[C@H](O)C(F)(F)F)CC1)N1CCCCC1 ZINC000185143697 396319934 /nfs/dbraw/zinc/31/99/34/396319934.db2.gz BGOUGKBWVFHBRZ-LBPRGKRZSA-N 0 0 323.359 0.540 10 0 DCAERN COc1cccc2c1nc(NC(=O)Cn1ncn(C)c1=O)n2C ZINC000184444496 396296058 /nfs/dbraw/zinc/29/60/58/396296058.db2.gz YNEMQXDWAAPZKJ-UHFFFAOYSA-N 0 0 316.321 0.116 10 0 DCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000184443194 396296351 /nfs/dbraw/zinc/29/63/51/396296351.db2.gz HTBOUCBHJBXPJJ-IAQYHMDHSA-N 0 0 308.382 0.990 10 0 DCAERN CCCCN1CCOC[C@H]1C(=O)Nc1cnc(N(C)C)nc1 ZINC000184516410 396297881 /nfs/dbraw/zinc/29/78/81/396297881.db2.gz WLASGUGRHZEGQZ-ZDUSSCGKSA-N 0 0 307.398 0.982 10 0 DCAERN CN(C)[C@H](CNC(=O)NCCCn1ccnn1)c1ccco1 ZINC000184703147 396302905 /nfs/dbraw/zinc/30/29/05/396302905.db2.gz LXCFFWGIDWVDNE-GFCCVEGCSA-N 0 0 306.370 0.863 10 0 DCAERN O=C(NCCCOC[C@H]1CCCO1)NCCCn1ccnn1 ZINC000184755106 396305219 /nfs/dbraw/zinc/30/52/19/396305219.db2.gz LLLZJSPLKYKZGF-CYBMUJFWSA-N 0 0 311.386 0.553 10 0 DCAERN C[C@H](O)[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 ZINC000184794623 396305569 /nfs/dbraw/zinc/30/55/69/396305569.db2.gz HOCRUMJAAVQHIH-JSGCOSHPSA-N 0 0 305.378 0.829 10 0 DCAERN Cc1cc(CS(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)no1 ZINC000265325524 396307701 /nfs/dbraw/zinc/30/77/01/396307701.db2.gz LKEAKVYNYDINQR-NSHDSACASA-N 0 0 301.368 0.269 10 0 DCAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC(CO)C1 ZINC000184901959 396310032 /nfs/dbraw/zinc/31/00/32/396310032.db2.gz ZRIBUXDXEOFHDN-UHFFFAOYSA-N 0 0 301.755 0.829 10 0 DCAERN CC(=O)N1c2ccc(S(=O)(=O)N3CC(CO)C3)cc2C[C@@H]1C ZINC000184900394 396310327 /nfs/dbraw/zinc/31/03/27/396310327.db2.gz QVSPDPSFUTYGDQ-JTQLQIEISA-N 0 0 324.402 0.597 10 0 DCAERN COC(=O)C1(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000185184930 396321266 /nfs/dbraw/zinc/32/12/66/396321266.db2.gz BTINIEXTJGYOTM-LLVKDONJSA-N 0 0 304.350 0.515 10 0 DCAERN Cc1nc(CNC(=O)c2cccnc2N2CCOCC2)no1 ZINC000265490600 396321475 /nfs/dbraw/zinc/32/14/75/396321475.db2.gz XMODIDBWGLOSLA-UHFFFAOYSA-N 0 0 303.322 0.540 10 0 DCAERN CN(C)c1noc(CN2CCCN(Cc3cnn(C)c3)CC2)n1 ZINC000185258960 396322936 /nfs/dbraw/zinc/32/29/36/396322936.db2.gz SKTRWBHBVMOPGP-UHFFFAOYSA-N 0 0 319.413 0.577 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1nc(N(C)C)no1)CC2 ZINC000185266249 396324038 /nfs/dbraw/zinc/32/40/38/396324038.db2.gz KPZJZORQGKZVME-VXGBXAGGSA-N 0 0 310.398 0.888 10 0 DCAERN CCO[C@H]1C[C@@H](O)C12CCN(Cc1nc(N(C)C)no1)CC2 ZINC000185266264 396324080 /nfs/dbraw/zinc/32/40/80/396324080.db2.gz KPZJZORQGKZVME-NEPJUHHUSA-N 0 0 310.398 0.888 10 0 DCAERN Cc1nc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)c(=O)[nH]c1C ZINC000185376917 396325949 /nfs/dbraw/zinc/32/59/49/396325949.db2.gz IQDHTNFHPUMPKP-LBPRGKRZSA-N 0 0 317.345 0.426 10 0 DCAERN COC(=O)c1cn(C2CCN(C(=O)N[C@@H]3C[C@@H]3C)CC2)nn1 ZINC000185607262 396331462 /nfs/dbraw/zinc/33/14/62/396331462.db2.gz WFIGKVMHFRVMHP-GXSJLCMTSA-N 0 0 307.354 0.820 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCC(=O)N(C)C2)NC1=O ZINC000265621670 396331613 /nfs/dbraw/zinc/33/16/13/396331613.db2.gz BTXWBYPIMQUVBT-VHSXEESVSA-N 0 0 317.345 0.757 10 0 DCAERN Cc1nn(C)c(C)c1OCC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000186077761 396340768 /nfs/dbraw/zinc/34/07/68/396340768.db2.gz YABGQENAUDNVKM-HNNXBMFYSA-N 0 0 309.366 0.434 10 0 DCAERN C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185923614 396337306 /nfs/dbraw/zinc/33/73/06/396337306.db2.gz GLICCVHSGHTYJZ-GRDNDAEWSA-N 0 0 323.437 0.886 10 0 DCAERN Nc1ccc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000186020133 396339479 /nfs/dbraw/zinc/33/94/79/396339479.db2.gz PHYYWPKXWYAQHV-ZDUSSCGKSA-N 0 0 311.407 0.410 10 0 DCAERN C[C@H](c1nccs1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000185784027 396335289 /nfs/dbraw/zinc/33/52/89/396335289.db2.gz PHNMHMQMSSXJKY-GHMZBOCLSA-N 0 0 308.407 0.484 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000284808511 396346861 /nfs/dbraw/zinc/34/68/61/396346861.db2.gz AZFOJOVYQNVKHN-ZDUSSCGKSA-N 0 0 300.717 0.932 10 0 DCAERN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCO[C@@]2(CCOC2)C1 ZINC000186077254 396340850 /nfs/dbraw/zinc/34/08/50/396340850.db2.gz SLCWAALOBXJFBL-DYVFJYSZSA-N 0 0 322.405 0.795 10 0 DCAERN CNC(=O)CC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000186552202 396352749 /nfs/dbraw/zinc/35/27/49/396352749.db2.gz IQAVKWZDSOEBMD-CYBMUJFWSA-N 0 0 303.362 0.777 10 0 DCAERN Cc1ccc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c(C)n1 ZINC000186686555 396355288 /nfs/dbraw/zinc/35/52/88/396355288.db2.gz OYLCJTJDMZCRHY-CQSZACIVSA-N 0 0 316.405 0.735 10 0 DCAERN O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000186912384 396359446 /nfs/dbraw/zinc/35/94/46/396359446.db2.gz QSAOWVMVWDFTQE-HZMBPMFUSA-N 0 0 314.345 0.959 10 0 DCAERN COC(=O)C[C@@H]1CSCCN1C(=O)CCc1ccnn1C ZINC000186940136 396360466 /nfs/dbraw/zinc/36/04/66/396360466.db2.gz XAHTWUMSUAGDAZ-GFCCVEGCSA-N 0 0 311.407 0.860 10 0 DCAERN CN(CC1(CO)CC1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000186977152 396360818 /nfs/dbraw/zinc/36/08/18/396360818.db2.gz PTETXVMZFIVTNO-ZDUSSCGKSA-N 0 0 319.409 0.859 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CCCN(C)C(=O)C1 ZINC000187833785 396374723 /nfs/dbraw/zinc/37/47/23/396374723.db2.gz BOMCNFIBVKHJMH-UHFFFAOYSA-N 0 0 312.414 0.509 10 0 DCAERN Cn1cc(CN2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cn1 ZINC000187075803 396363228 /nfs/dbraw/zinc/36/32/28/396363228.db2.gz VSRTWNDBXFMXHJ-UHFFFAOYSA-N 0 0 320.422 0.780 10 0 DCAERN Cc1nc(CNS(=O)(=O)c2cnn(CC(F)F)c2)no1 ZINC000187185462 396364984 /nfs/dbraw/zinc/36/49/84/396364984.db2.gz DNGCWLATXBGIOM-UHFFFAOYSA-N 0 0 307.282 0.318 10 0 DCAERN O=C(N[C@@H](CCO)c1ccco1)N[C@H]1CCc2ncnn2C1 ZINC000187310819 396367349 /nfs/dbraw/zinc/36/73/49/396367349.db2.gz YQDIYURXKPHWEX-QWRGUYRKSA-N 0 0 305.338 0.609 10 0 DCAERN CN1CCO[C@@H](CNC(=O)c2nc(Br)cs2)C1 ZINC000187429334 396369961 /nfs/dbraw/zinc/36/99/61/396369961.db2.gz AMYGQRGKWLSIFQ-ZETCQYMHSA-N 0 0 320.212 0.966 10 0 DCAERN C[C@]1(O)CCN(C(=O)NCc2cccnc2-n2cccn2)C1 ZINC000188346887 396381809 /nfs/dbraw/zinc/38/18/09/396381809.db2.gz IWAGPRVSOCRQFD-HNNXBMFYSA-N 0 0 301.350 0.934 10 0 DCAERN COCCN1CCCN(C(=O)NCc2ccccn2)CC1=O ZINC000188404248 396381857 /nfs/dbraw/zinc/38/18/57/396381857.db2.gz RVMNJIQZZWBBLF-UHFFFAOYSA-N 0 0 306.366 0.472 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000188432658 396382619 /nfs/dbraw/zinc/38/26/19/396382619.db2.gz IAZIXIIBKWDTFS-OAHLLOKOSA-N 0 0 309.410 0.178 10 0 DCAERN C[C@H]1CN(C(=O)CNC(=O)COc2ccccc2)CCC1=O ZINC000188626582 396383460 /nfs/dbraw/zinc/38/34/60/396383460.db2.gz BTHXOUNIOHBBMJ-LBPRGKRZSA-N 0 0 304.346 0.619 10 0 DCAERN C[C@H]1COCCN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000269076663 396384203 /nfs/dbraw/zinc/38/42/03/396384203.db2.gz HIHVFRGVKFQQJO-QFYYESIMSA-N 0 0 317.345 0.602 10 0 DCAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@H](CO)C2)NC1=O ZINC000269085137 396384639 /nfs/dbraw/zinc/38/46/39/396384639.db2.gz LZSNAIXIZNXTTE-UWVGGRQHSA-N 0 0 306.318 0.239 10 0 DCAERN O=C(c1cccnc1N1CCCCC1)N1CCO[C@@H](CO)C1 ZINC000269091332 396385343 /nfs/dbraw/zinc/38/53/43/396385343.db2.gz UCPAEEKIHUOSAI-CYBMUJFWSA-N 0 0 305.378 0.905 10 0 DCAERN C[C@H]1CN(C(=O)CSCc2ccncc2)CCN1CCO ZINC000188749859 396385536 /nfs/dbraw/zinc/38/55/36/396385536.db2.gz FTQSKYKHJLESIC-ZDUSSCGKSA-N 0 0 309.435 0.840 10 0 DCAERN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCO[C@H](CO)C1 ZINC000269132691 396388493 /nfs/dbraw/zinc/38/84/93/396388493.db2.gz BVJOCDLBFCKVSR-NSHDSACASA-N 0 0 322.386 0.954 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)[C@H](CO)C1)CC2 ZINC000188986950 396389046 /nfs/dbraw/zinc/38/90/46/396389046.db2.gz NYNZWNXOBLMLHN-GRYCIOLGSA-N 0 0 307.398 0.425 10 0 DCAERN COc1ccc2c(c1)C[C@H](C(=O)N1CCCNC(=O)[C@H]1C)CO2 ZINC000188948339 396389403 /nfs/dbraw/zinc/38/94/03/396389403.db2.gz ZUZGBYQGHQTBFH-YPMHNXCESA-N 0 0 318.373 0.983 10 0 DCAERN CCCN1CCCN(C(=O)Cn2nnnc2C(C)C)CC1=O ZINC000189065714 396390606 /nfs/dbraw/zinc/39/06/06/396390606.db2.gz FABFXLINUWXQEF-UHFFFAOYSA-N 0 0 308.386 0.267 10 0 DCAERN CN(C)c1cccc(CCC(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000189375892 396394330 /nfs/dbraw/zinc/39/43/30/396394330.db2.gz NSVAYTQQCUYVQH-CQSZACIVSA-N 0 0 305.378 0.398 10 0 DCAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189489745 396395748 /nfs/dbraw/zinc/39/57/48/396395748.db2.gz IATGKLZFPZLQQW-ZDUSSCGKSA-N 0 0 322.409 0.306 10 0 DCAERN COc1cnccc1[C@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC000189609935 396397216 /nfs/dbraw/zinc/39/72/16/396397216.db2.gz SBFCCDKSJFHFNC-ZJUUUORDSA-N 0 0 300.380 0.948 10 0 DCAERN CN(CCNC(=O)N1CCCN(C)C(=O)C1)c1ccccc1 ZINC000189737590 396398398 /nfs/dbraw/zinc/39/83/98/396398398.db2.gz QWXLIQAPVFDCOE-UHFFFAOYSA-N 0 0 304.394 0.997 10 0 DCAERN CN1CCCN(C(=O)Cc2ccc3c(c2)NC(=O)C3)CC1=O ZINC000189740006 396398491 /nfs/dbraw/zinc/39/84/91/396398491.db2.gz GCMASZAGQXBZGC-UHFFFAOYSA-N 0 0 301.346 0.414 10 0 DCAERN CCN(C)C(=O)[C@H](C)NC(=O)Nc1cc(CCOC)nn1C ZINC000189779622 396398764 /nfs/dbraw/zinc/39/87/64/396398764.db2.gz WWULPSHZCVIDOL-JTQLQIEISA-N 0 0 311.386 0.597 10 0 DCAERN CCN1CN(C(=O)NCCc2cccc(C(N)=O)c2)CC1=O ZINC000189843251 396400144 /nfs/dbraw/zinc/40/01/44/396400144.db2.gz LVUBULXBSMEIIU-UHFFFAOYSA-N 0 0 304.350 0.159 10 0 DCAERN O=C(N1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@]1(O)CCSC1 ZINC000189968397 396400750 /nfs/dbraw/zinc/40/07/50/396400750.db2.gz AHAWPUYDTIAMQE-HNNXBMFYSA-N 0 0 322.434 0.804 10 0 DCAERN O=C(Cc1cc[nH]n1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189966952 396400862 /nfs/dbraw/zinc/40/08/62/396400862.db2.gz JMPPJCLZYYDHPW-UHFFFAOYSA-N 0 0 300.366 0.902 10 0 DCAERN Cc1cc(N2CCN(C(=O)NCCC(=O)N(C)C)CC2)n[nH]1 ZINC000189958740 396400992 /nfs/dbraw/zinc/40/09/92/396400992.db2.gz ZTWWJPHODADYGP-UHFFFAOYSA-N 0 0 308.386 0.028 10 0 DCAERN CCn1nccc1N1CCC[C@H](NC(=O)C[C@H](C)OC)C1=O ZINC000189908355 396401075 /nfs/dbraw/zinc/40/10/75/396401075.db2.gz PCLPKWCFZZDKNU-RYUDHWBXSA-N 0 0 308.382 0.940 10 0 DCAERN CC(=O)NC1CN(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1 ZINC000190245476 396403428 /nfs/dbraw/zinc/40/34/28/396403428.db2.gz WQFKIRDXQDWRJR-LLVKDONJSA-N 0 0 321.356 0.329 10 0 DCAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Cn1cccn1 ZINC000190394518 396405663 /nfs/dbraw/zinc/40/56/63/396405663.db2.gz FLRLFLBAPCGFCE-NSHDSACASA-N 0 0 305.382 0.439 10 0 DCAERN CN1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1=O ZINC000190369555 396405931 /nfs/dbraw/zinc/40/59/31/396405931.db2.gz IUVIJWVASRFVAA-UHFFFAOYSA-N 0 0 307.325 0.133 10 0 DCAERN CCN1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1=O ZINC000190528174 396407519 /nfs/dbraw/zinc/40/75/19/396407519.db2.gz NFEAKLPNSJPLOQ-UHFFFAOYSA-N 0 0 305.309 0.972 10 0 DCAERN Cc1cc(C)nc(NC(=O)C(=O)N2CCN(C3CC3)CC2)c1 ZINC000193110261 396444589 /nfs/dbraw/zinc/44/45/89/396444589.db2.gz UGKQXDVKFBCAPB-UHFFFAOYSA-N 0 0 302.378 0.944 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000287593348 396410574 /nfs/dbraw/zinc/41/05/74/396410574.db2.gz YUKGDILIOIPORH-UHFFFAOYSA-N 0 0 307.734 0.383 10 0 DCAERN CCC(CC)[C@H](CNC(=O)N1CC(CO)C1)N1CCOCC1 ZINC000190795733 396411689 /nfs/dbraw/zinc/41/16/89/396411689.db2.gz DZUDJGACLHXVQP-HNNXBMFYSA-N 0 0 313.442 0.757 10 0 DCAERN FC(F)(F)Cn1nnnc1CN1CC[C@H](N2CCOCC2)C1 ZINC000190916012 396412999 /nfs/dbraw/zinc/41/29/99/396412999.db2.gz LSSYTDVRPYJUOP-JTQLQIEISA-N 0 0 320.319 0.142 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N2CCCN(C)C(=O)C2)c(F)c1 ZINC000191044431 396414681 /nfs/dbraw/zinc/41/46/81/396414681.db2.gz UMIUIWGMOVYNDG-UHFFFAOYSA-N 0 0 307.325 0.763 10 0 DCAERN CCN(CC)C(=O)CCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191254726 396417622 /nfs/dbraw/zinc/41/76/22/396417622.db2.gz IDSFUAUAFIKTDA-GFCCVEGCSA-N 0 0 312.414 0.555 10 0 DCAERN COc1ccc(CN(C)C(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1C ZINC000193146405 396445181 /nfs/dbraw/zinc/44/51/81/396445181.db2.gz 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/nfs/dbraw/zinc/43/66/17/396436617.db2.gz XDYAHTWZDBHLPX-AWEZNQCLSA-N 0 0 315.373 0.686 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000192765845 396437129 /nfs/dbraw/zinc/43/71/29/396437129.db2.gz DQQFDMCQMOUJLC-HTQZYQBOSA-N 0 0 323.315 0.474 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000192765831 396437344 /nfs/dbraw/zinc/43/73/44/396437344.db2.gz DQQFDMCQMOUJLC-JGVFFNPUSA-N 0 0 323.315 0.474 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCCC2=O)C1 ZINC000192902443 396440407 /nfs/dbraw/zinc/44/04/07/396440407.db2.gz KVQRQVHYMIECRQ-CYBMUJFWSA-N 0 0 310.398 0.309 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCNC(=O)[C@H]2C)c1 ZINC000188102315 396379088 /nfs/dbraw/zinc/37/90/88/396379088.db2.gz OMKVJLMDGNDTEZ-SGUJLRQBSA-N 0 0 316.361 0.191 10 0 DCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)N1Cc2ccccc2CO1 ZINC000288695176 396447948 /nfs/dbraw/zinc/44/79/48/396447948.db2.gz XQPWCEWBMKOVNN-UONOGXRCSA-N 0 0 315.333 0.875 10 0 DCAERN CCCCOC[C@@H](O)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000193383185 396449863 /nfs/dbraw/zinc/44/98/63/396449863.db2.gz RPEYLHHOAQGTPK-KBPBESRZSA-N 0 0 323.393 0.515 10 0 DCAERN O=C1NCCN1C1CN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000289024494 396453159 /nfs/dbraw/zinc/45/31/59/396453159.db2.gz VYLTYXRPMOQCSJ-UHFFFAOYSA-N 0 0 321.811 0.800 10 0 DCAERN CN(C)c1ncccc1O[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC000289309037 396458743 /nfs/dbraw/zinc/45/87/43/396458743.db2.gz JAHPNMCBWCOGCC-CYBMUJFWSA-N 0 0 304.394 0.879 10 0 DCAERN O=C(NC[C@]1(O)CCOC1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000270104384 396461495 /nfs/dbraw/zinc/46/14/95/396461495.db2.gz ONNJRUUMZFVBCL-GDZNZVCISA-N 0 0 319.357 0.829 10 0 DCAERN CC(C)S(=O)(=O)CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC000290617928 396468018 /nfs/dbraw/zinc/46/80/18/396468018.db2.gz LONCHYZXHMONRT-UHFFFAOYSA-N 0 0 323.378 0.215 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000371803434 396477083 /nfs/dbraw/zinc/47/70/83/396477083.db2.gz PKXOPPMYZZXRHL-UONOGXRCSA-N 0 0 318.377 0.647 10 0 DCAERN O=C(NC[C@@H](O)C1CC1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000371803435 396477109 /nfs/dbraw/zinc/47/71/09/396477109.db2.gz PKXOPPMYZZXRHL-ZIAGYGMSSA-N 0 0 318.377 0.647 10 0 DCAERN C[C@@H]1CN(C(=O)C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1 ZINC000291415723 396489117 /nfs/dbraw/zinc/48/91/17/396489117.db2.gz WKPGSAPMHHPLQU-AOOOYVTPSA-N 0 0 306.366 0.872 10 0 DCAERN CCCNS(=O)(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000292556489 396556388 /nfs/dbraw/zinc/55/63/88/396556388.db2.gz KKTGYZVOOXWDHY-LBPRGKRZSA-N 0 0 302.400 0.212 10 0 DCAERN Cc1ccc(O[C@@H]2CCN(C(=O)CN3CCOCC3)C2)cn1 ZINC000373075638 396564715 /nfs/dbraw/zinc/56/47/15/396564715.db2.gz XQVGTEYQNPNJJG-OAHLLOKOSA-N 0 0 305.378 0.702 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000374197299 396646248 /nfs/dbraw/zinc/64/62/48/396646248.db2.gz GERRCVSXERHJAN-ASEORRQLSA-N 0 0 322.409 0.306 10 0 DCAERN CC1(Cn2cc(C(=O)NCCOCC3CCC3)nn2)COC1 ZINC000562275918 396654901 /nfs/dbraw/zinc/65/49/01/396654901.db2.gz YOBNUBIDODIUMM-UHFFFAOYSA-N 0 0 308.382 0.861 10 0 DCAERN Cn1nccc1S(=O)(=O)N1CCCN(c2cccnn2)CC1 ZINC000373404812 396588696 /nfs/dbraw/zinc/58/86/96/396588696.db2.gz DCZSQEJPVNNXAC-UHFFFAOYSA-N 0 0 322.394 0.111 10 0 DCAERN CCn1ncnc1CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000373469199 396593259 /nfs/dbraw/zinc/59/32/59/396593259.db2.gz YGXWGWJHPLBAJP-OAHLLOKOSA-N 0 0 323.397 0.778 10 0 DCAERN C[C@H]1CCCN1S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000373685655 396607151 /nfs/dbraw/zinc/60/71/51/396607151.db2.gz UUPBBIUQIOWFMZ-JSGCOSHPSA-N 0 0 318.439 0.985 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)NCCOCC1CCC1 ZINC000562297564 396656249 /nfs/dbraw/zinc/65/62/49/396656249.db2.gz VOTUXBPTCNQLDL-GXTWGEPZSA-N 0 0 300.399 0.984 10 0 DCAERN CC1(C)CN(C(=O)CNCC(F)(F)F)C[C@]2(CCOC2)O1 ZINC000373703087 396608663 /nfs/dbraw/zinc/60/86/63/396608663.db2.gz SGAPSOLPVWNCCD-LBPRGKRZSA-N 0 0 310.316 0.935 10 0 DCAERN CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)C[C@]2(CCOC2)O1 ZINC000373708570 396609097 /nfs/dbraw/zinc/60/90/97/396609097.db2.gz VZHRWCBTDUBLRC-INIZCTEOSA-N 0 0 324.377 0.322 10 0 DCAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000373913311 396623152 /nfs/dbraw/zinc/62/31/52/396623152.db2.gz UGKQMZRYZOKHGP-FRRDWIJNSA-N 0 0 317.455 0.352 10 0 DCAERN C[C@H](NC(=O)C(=O)Nc1ccc2nccn2c1)c1cnn(C)c1 ZINC000561004577 396627274 /nfs/dbraw/zinc/62/72/74/396627274.db2.gz XWMPYBPXYMNGQP-JTQLQIEISA-N 0 0 312.333 0.884 10 0 DCAERN CCn1nccc1S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000294167668 396657516 /nfs/dbraw/zinc/65/75/16/396657516.db2.gz BYVCDHFZSQCXCA-SNVBAGLBSA-N 0 0 310.383 0.937 10 0 DCAERN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000561016950 396628313 /nfs/dbraw/zinc/62/83/13/396628313.db2.gz ZIDCVVGIPNESDZ-AAEUAGOBSA-N 0 0 316.361 0.892 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCOCC[C@@H]1C ZINC000374005042 396630404 /nfs/dbraw/zinc/63/04/04/396630404.db2.gz BVSKDIQGBICTSQ-QMMMGPOBSA-N 0 0 302.352 0.486 10 0 DCAERN CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)N1CCCC1=O ZINC000374141742 396642149 /nfs/dbraw/zinc/64/21/49/396642149.db2.gz MOJHAHQXHCEJEE-RSUWNVLCSA-N 0 0 321.421 0.759 10 0 DCAERN CN(C)C(=O)[C@@H]1CC[C@@H](CN2C(=O)CN(C3CCC3)C2=O)O1 ZINC000562407032 396662300 /nfs/dbraw/zinc/66/23/00/396662300.db2.gz WIXXBAOTYIEHOL-RYUDHWBXSA-N 0 0 309.366 0.439 10 0 DCAERN O=c1[nH]c2ccccc2c(=O)n1CCCN1CCCS1(=O)=O ZINC000586767098 396663802 /nfs/dbraw/zinc/66/38/02/396663802.db2.gz OHIOHLSIQBNYIJ-UHFFFAOYSA-N 0 0 323.374 0.528 10 0 DCAERN Cc1occc1CNC(=O)NCCCN1CCCS1(=O)=O ZINC000587117753 396670506 /nfs/dbraw/zinc/67/05/06/396670506.db2.gz MAXDIWKFDQSAKR-UHFFFAOYSA-N 0 0 315.395 0.813 10 0 DCAERN CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](O)COC)[C@@]12CCCO2 ZINC000374713467 396681810 /nfs/dbraw/zinc/68/18/10/396681810.db2.gz GXXFCFSJDKKAIU-SFTQSGBHSA-N 0 0 302.371 0.020 10 0 DCAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CC(n2ccnn2)C1 ZINC000374807030 396689486 /nfs/dbraw/zinc/68/94/86/396689486.db2.gz 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IQUMQNQDCHWTJC-NSHDSACASA-N 0 0 306.326 0.096 10 0 DCAERN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000300555956 396715849 /nfs/dbraw/zinc/71/58/49/396715849.db2.gz ZAYANPXVYITQSA-YFKTTZPYSA-N 0 0 305.396 0.815 10 0 DCAERN COC(=O)[C@H]1CN(c2c(C)c(C)nc3ncnn32)C[C@@H](C)O1 ZINC000301616383 396717362 /nfs/dbraw/zinc/71/73/62/396717362.db2.gz BXNSSRVDLMVQDW-LDYMZIIASA-N 0 0 305.338 0.508 10 0 DCAERN Cc1n[nH]cc1CCCNC(=O)N1CCN2CCOC[C@H]2C1 ZINC000375233983 396720373 /nfs/dbraw/zinc/72/03/73/396720373.db2.gz OCIOQHPAWGKVFO-CQSZACIVSA-N 0 0 307.398 0.377 10 0 DCAERN CC(=O)CCC(C)(C)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617709296 396782510 /nfs/dbraw/zinc/78/25/10/396782510.db2.gz UOKGOYDOGMFZGL-HNNXBMFYSA-N 0 0 301.383 0.666 10 0 DCAERN CC(=O)c1ccccc1C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000617710684 396784130 /nfs/dbraw/zinc/78/41/30/396784130.db2.gz RIWARZHDNQHRER-INIZCTEOSA-N 0 0 307.346 0.787 10 0 DCAERN C=C/C(C)=C\CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000629570210 396792041 /nfs/dbraw/zinc/79/20/41/396792041.db2.gz JJSIVHQNGXZIQM-DKRCXCIFSA-N 0 0 302.396 0.285 10 0 DCAERN CC(=O)N1CCC[C@@H](CNS(=O)(=O)[C@@H]2COC(C)(C)C2)C1 ZINC000625166091 396792579 /nfs/dbraw/zinc/79/25/79/396792579.db2.gz CTKKWKYRVWPDNV-STQMWFEESA-N 0 0 318.439 0.732 10 0 DCAERN CC(=O)c1cc(C(=O)N2CCO[C@@H](CC(N)=O)C2)ccc1C ZINC000629392975 396736364 /nfs/dbraw/zinc/73/63/64/396736364.db2.gz MOOCHFORRWVGLD-ZDUSSCGKSA-N 0 0 304.346 0.914 10 0 DCAERN CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000625032744 396752227 /nfs/dbraw/zinc/75/22/27/396752227.db2.gz IVXWWJJEKNKAOT-BXUZGUMPSA-N 0 0 322.409 0.402 10 0 DCAERN O=C1CN[C@@H](c2ncc(I)s2)C(=O)N1 ZINC000307746650 396756761 /nfs/dbraw/zinc/75/67/61/396756761.db2.gz VYYWLQXPPZFXHO-RXMQYKEDSA-N 0 0 323.115 0.035 10 0 DCAERN O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CNC(=O)C1 ZINC000312037237 396763046 /nfs/dbraw/zinc/76/30/46/396763046.db2.gz PJWVQALNBHDTIC-GJZGRUSLSA-N 0 0 317.389 0.140 10 0 DCAERN COC(=O)Cc1ccc(S(=O)(=O)N(C)CCCO)cc1 ZINC000312842655 396768273 /nfs/dbraw/zinc/76/82/73/396768273.db2.gz VIBFWZORUQVKOK-UHFFFAOYSA-N 0 0 301.364 0.405 10 0 DCAERN O=C(NCC1CC1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375574125 396774942 /nfs/dbraw/zinc/77/49/42/396774942.db2.gz LSQBGMZQQZEOSF-NSHDSACASA-N 0 0 304.350 0.789 10 0 DCAERN CN(C[C@@H]1CCc2nccn2C1)C(=O)CN1CSCC1=O ZINC000328619577 396824018 /nfs/dbraw/zinc/82/40/18/396824018.db2.gz GBHCFGICMOXUEE-NSHDSACASA-N 0 0 308.407 0.437 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)[C@@H]3OCC[C@@H]3C)C1)C2 ZINC000328625636 396825205 /nfs/dbraw/zinc/82/52/05/396825205.db2.gz DJSRAORDRGZYRN-IINYFYTJSA-N 0 0 305.382 0.038 10 0 DCAERN CCN1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1c1nccn1C ZINC000328622858 396825246 /nfs/dbraw/zinc/82/52/46/396825246.db2.gz ISJSSHWDVUIZKX-CYBMUJFWSA-N 0 0 302.382 0.591 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)[nH]c(=O)n1 ZINC000328633930 396826473 /nfs/dbraw/zinc/82/64/73/396826473.db2.gz SWNLUOAJJGJYFX-LLVKDONJSA-N 0 0 302.338 0.343 10 0 DCAERN Cc1nnc2n1CCN(C1CN(C(=O)C[C@@H]3CCCCO3)C1)C2 ZINC000328629792 396826542 /nfs/dbraw/zinc/82/65/42/396826542.db2.gz IRAZVHBPCHBKLQ-AWEZNQCLSA-N 0 0 319.409 0.572 10 0 DCAERN Cc1cc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cc(=O)[nH]1 ZINC000328630049 396827083 /nfs/dbraw/zinc/82/70/83/396827083.db2.gz PLAKDOPUWIQTTJ-LBPRGKRZSA-N 0 0 301.350 0.948 10 0 DCAERN O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CCc2nccn2C1 ZINC000328630883 396827109 /nfs/dbraw/zinc/82/71/09/396827109.db2.gz QJOAIRJZHVVAEH-QWHCGFSZSA-N 0 0 313.423 0.934 10 0 DCAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)C[C@@H]2CCCCO2)C1 ZINC000328641648 396828448 /nfs/dbraw/zinc/82/84/48/396828448.db2.gz QRJBFCYBMILOPS-STQMWFEESA-N 0 0 313.398 0.640 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000068100659 300035170 /nfs/dbraw/zinc/03/51/70/300035170.db2.gz QSZMOVGMTLFSGN-CMPLNLGQSA-N 0 0 324.402 0.816 10 0 DCAERN CC(=O)N1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CC1 ZINC000625316450 396835775 /nfs/dbraw/zinc/83/57/75/396835775.db2.gz ZDWISNCBUBAULD-UHFFFAOYSA-N 0 0 315.381 0.747 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2CCC[C@@H](C)CC2)N(S(C)(=O)=O)C1 ZINC000329845376 396850693 /nfs/dbraw/zinc/85/06/93/396850693.db2.gz LRWPABOLVQAZHK-FRRDWIJNSA-N 0 0 318.439 0.684 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1N1C(=O)[C@@H]2CCCN2C1=O ZINC000330300442 396856565 /nfs/dbraw/zinc/85/65/65/396856565.db2.gz ILUXVHJXYARRIL-OUAUKWLOSA-N 0 0 300.380 0.769 10 0 DCAERN CC[C@H](CSC)NC(=O)NCCCN1CCCS1(=O)=O ZINC000611373121 396859871 /nfs/dbraw/zinc/85/98/71/396859871.db2.gz UKTOXWHXAARXNB-LLVKDONJSA-N 0 0 323.484 0.853 10 0 DCAERN CC(=O)NC1(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)CCCCC1 ZINC000332761660 396891709 /nfs/dbraw/zinc/89/17/09/396891709.db2.gz TYGJISJPXZIBOK-HUUCEWRRSA-N 0 0 323.437 0.757 10 0 DCAERN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000625509220 396903430 /nfs/dbraw/zinc/90/34/30/396903430.db2.gz IGWZCPGGUUGCRL-MYPMTAMASA-N 0 0 321.421 0.618 10 0 DCAERN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCO[C@@H](C2CC2)C1 ZINC000332972330 396912148 /nfs/dbraw/zinc/91/21/48/396912148.db2.gz ZVIOUANMYKNSAW-NWDGAFQWSA-N 0 0 302.396 0.384 10 0 DCAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCOC[C@H]1c1nc[nH]n1 ZINC000333159900 396919653 /nfs/dbraw/zinc/91/96/53/396919653.db2.gz LSJKFCXEVCYYMJ-RHYQMDGZSA-N 0 0 312.395 0.696 10 0 DCAERN CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569876616 396921779 /nfs/dbraw/zinc/92/17/79/396921779.db2.gz RAEFDRZVVOUUTA-GXSJLCMTSA-N 0 0 322.390 0.501 10 0 DCAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1 ZINC000625591807 396937905 /nfs/dbraw/zinc/93/79/05/396937905.db2.gz QMEKKAUEZCAPKU-STQMWFEESA-N 0 0 301.364 0.513 10 0 DCAERN COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1O ZINC000625597935 396942822 /nfs/dbraw/zinc/94/28/22/396942822.db2.gz PJHZVWRJDZWINN-QWRGUYRKSA-N 0 0 301.364 0.432 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376721329 396968417 /nfs/dbraw/zinc/96/84/17/396968417.db2.gz CZZXMOIWPKGILC-WCQYABFASA-N 0 0 307.398 0.735 10 0 DCAERN Cc1nccn1C[C@@H](C)CNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376721327 396968691 /nfs/dbraw/zinc/96/86/91/396968691.db2.gz CZZXMOIWPKGILC-AAEUAGOBSA-N 0 0 307.398 0.735 10 0 DCAERN CC(=O)c1nc(CCN2CCN(c3nccnn3)CC2)[nH]c1C ZINC000625641892 396963861 /nfs/dbraw/zinc/96/38/61/396963861.db2.gz GRKQQOYVOZLKHK-UHFFFAOYSA-N 0 0 315.381 0.470 10 0 DCAERN c1cnc(N2CCN(Cc3noc(C4CCC4)n3)CC2)nn1 ZINC000625644803 396965334 /nfs/dbraw/zinc/96/53/34/396965334.db2.gz ISZWYHVHYJDAHT-UHFFFAOYSA-N 0 0 301.354 0.844 10 0 DCAERN Cc1ccc(C(N)=O)cc1NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000376894954 396994449 /nfs/dbraw/zinc/99/44/49/396994449.db2.gz JMIUIPRWBHTPGB-ZDUSSCGKSA-N 0 0 318.377 0.642 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000625833145 397012441 /nfs/dbraw/zinc/01/24/41/397012441.db2.gz KTMMWTGPQKELQX-TXEJJXNPSA-N 0 0 323.437 0.910 10 0 DCAERN CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000377116160 397031657 /nfs/dbraw/zinc/03/16/57/397031657.db2.gz UROUVRYLHOMNLV-WBMJQRKESA-N 0 0 309.410 0.668 10 0 DCAERN Cn1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c2cc(F)ccc21 ZINC000377134725 397035044 /nfs/dbraw/zinc/03/50/44/397035044.db2.gz TWBWVVSTSYDVHW-HNNXBMFYSA-N 0 0 305.309 0.380 10 0 DCAERN C[C@H](NC(=O)N1CC[C@H](CC(N)=O)C1)[C@H](C)N1CCOCC1 ZINC000376755125 396975105 /nfs/dbraw/zinc/97/51/05/396975105.db2.gz LHVVNCHLJUUGIN-RWMBFGLXSA-N 0 0 312.414 0.003 10 0 DCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)N1CCN(C2CC2)CC1 ZINC000571684325 396978039 /nfs/dbraw/zinc/97/80/39/396978039.db2.gz HHQCIIVOLGULFZ-ZNMIVQPWSA-N 0 0 321.421 0.367 10 0 DCAERN C=C/C(C)=C/CC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)OCC ZINC000597638718 397041378 /nfs/dbraw/zinc/04/13/78/397041378.db2.gz FGVRYHCQYZKSED-XEVNVYFWSA-N 0 0 324.377 0.416 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000618929118 397044145 /nfs/dbraw/zinc/04/41/45/397044145.db2.gz CWTDYHSCOAPUSI-ZFWWWQNUSA-N 0 0 304.394 0.726 10 0 DCAERN CC(C)[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(=O)[O-] ZINC000630574928 397050641 /nfs/dbraw/zinc/05/06/41/397050641.db2.gz UXKZETKMOCDCTR-HUUCEWRRSA-N 0 0 321.421 0.919 10 0 DCAERN Cc1conc1C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000630939563 397139880 /nfs/dbraw/zinc/13/98/80/397139880.db2.gz GQDGBCBBPPMKTH-KBPBESRZSA-N 0 0 322.409 0.460 10 0 DCAERN CS(=O)(=O)CC1(CN2C(=O)N[C@@H](CC3CC3)C2=O)CC1 ZINC000573185632 397141343 /nfs/dbraw/zinc/14/13/43/397141343.db2.gz FDDGASCMSNSQSC-JTQLQIEISA-N 0 0 300.380 0.532 10 0 DCAERN c1[nH]nc2c1C[C@@H]([NH2+]Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000631077180 397164253 /nfs/dbraw/zinc/16/42/53/397164253.db2.gz WBCUOXDJKODFCY-YPMHNXCESA-N 0 0 302.382 0.685 10 0 DCAERN NC(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c[nH]1 ZINC000597832720 397116880 /nfs/dbraw/zinc/11/68/80/397116880.db2.gz YWUSJCIIUZXTQA-LBPRGKRZSA-N 0 0 312.329 0.649 10 0 DCAERN C[C@H](O)CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000364380204 397192675 /nfs/dbraw/zinc/19/26/75/397192675.db2.gz WABIRFAWUHPLPE-CMPLNLGQSA-N 0 0 300.424 0.917 10 0 DCAERN CCN1CC[C@H](NC(=O)Cc2cccc(C(=O)OC)c2)C1=O ZINC000619802424 397195070 /nfs/dbraw/zinc/19/50/70/397195070.db2.gz CHWLMZOOUONVQS-ZDUSSCGKSA-N 0 0 304.346 0.753 10 0 DCAERN CCN1CC[C@@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)C1=O ZINC000619829378 397199241 /nfs/dbraw/zinc/19/92/41/397199241.db2.gz WDCJUTCVMPGYCB-LLVKDONJSA-N 0 0 313.398 0.980 10 0 DCAERN CCS(=O)(=O)CCCCCN1CCN2CCOC[C@H]2C1 ZINC000364483025 397209159 /nfs/dbraw/zinc/20/91/59/397209159.db2.gz WOAQAHMCMQNACE-CQSZACIVSA-N 0 0 304.456 0.608 10 0 DCAERN CC(=O)c1ccc(C(=O)NC[C@H](C)S(N)(=O)=O)cc1O ZINC000613184571 397213063 /nfs/dbraw/zinc/21/30/63/397213063.db2.gz YILIHNIOEZNNNQ-ZETCQYMHSA-N 0 0 300.336 0.002 10 0 DCAERN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)C1 ZINC000619980733 397218983 /nfs/dbraw/zinc/21/89/83/397218983.db2.gz BBAYBJZCQQTESL-CZUORRHYSA-N 0 0 324.425 0.459 10 0 DCAERN O=C(NCCSC(F)(F)F)N1CCN2CCOC[C@H]2C1 ZINC000364640965 397229966 /nfs/dbraw/zinc/22/99/66/397229966.db2.gz HOUKPAYZVHDBLY-SECBINFHSA-N 0 0 313.345 0.965 10 0 DCAERN CN1C(=O)CN(NC(=O)C[C@@H]2CCOc3ccccc32)C1=O ZINC000378366069 397234641 /nfs/dbraw/zinc/23/46/41/397234641.db2.gz ADUZWEVTDMGDNE-JTQLQIEISA-N 0 0 303.318 0.868 10 0 DCAERN C[C@H]1C(=O)NCCCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000378460103 397243058 /nfs/dbraw/zinc/24/30/58/397243058.db2.gz UWXYHUFMPKPZIL-NWDGAFQWSA-N 0 0 305.382 0.366 10 0 DCAERN COC(=O)C1(C(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000613331061 397244093 /nfs/dbraw/zinc/24/40/93/397244093.db2.gz CDARMQJIPBWMCG-GFCCVEGCSA-N 0 0 322.365 0.076 10 0 DCAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000364902208 397246952 /nfs/dbraw/zinc/24/69/52/397246952.db2.gz NUFVAEKODGDULR-RVMXOQNASA-N 0 0 301.408 0.695 10 0 DCAERN NS(=O)(=O)c1ccccc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000380223249 397269468 /nfs/dbraw/zinc/26/94/68/397269468.db2.gz JSAGWDVAMCJWII-SNVBAGLBSA-N 0 0 310.297 0.838 10 0 DCAERN C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cn2)C[C@]1(C)CO ZINC000620439264 397270381 /nfs/dbraw/zinc/27/03/81/397270381.db2.gz FQBQVYGNZNOXLH-IINYFYTJSA-N 0 0 302.338 0.148 10 0 DCAERN CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1c(Cl)cnn1C ZINC000385602347 397283930 /nfs/dbraw/zinc/28/39/30/397283930.db2.gz DALKINCMXUJYMN-SCZZXKLOSA-N 0 0 307.803 0.855 10 0 DCAERN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)O1 ZINC000385104922 397284097 /nfs/dbraw/zinc/28/40/97/397284097.db2.gz IGYSFFNTVSGIEO-KHQFGBGNSA-N 0 0 318.420 0.620 10 0 DCAERN CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1)[C@@H](C)O ZINC000386907995 397290675 /nfs/dbraw/zinc/29/06/75/397290675.db2.gz PQHDRUOIMIMZLS-SKDRFNHKSA-N 0 0 301.364 0.911 10 0 DCAERN Cc1n[nH]cc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000365243797 397253334 /nfs/dbraw/zinc/25/33/34/397253334.db2.gz KVMJRCFVYRKBBY-IINYFYTJSA-N 0 0 316.365 0.401 10 0 DCAERN O=C(Cn1cc(Br)ccc1=O)NC1CC(CO)C1 ZINC000620887482 397314669 /nfs/dbraw/zinc/31/46/69/397314669.db2.gz XSPOAOBWJYBVCM-UHFFFAOYSA-N 0 0 315.167 0.498 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NCC[C@@H]1CC1(F)F ZINC000598621520 397261013 /nfs/dbraw/zinc/26/10/13/397261013.db2.gz HQQUEYCUZUUCKV-MRVPVSSYSA-N 0 0 300.327 0.361 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cncc(Cl)n1 ZINC000365295162 397263703 /nfs/dbraw/zinc/26/37/03/397263703.db2.gz KDADBCDXGZZPGJ-SNVBAGLBSA-N 0 0 324.768 0.640 10 0 DCAERN CC(=O)c1cccc(S(=O)(=O)N[C@H](CO)c2ccnn2C)c1 ZINC000577530720 397341306 /nfs/dbraw/zinc/34/13/06/397341306.db2.gz NCIDVPVGOGIZPD-CYBMUJFWSA-N 0 0 323.374 0.635 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000407969767 397341663 /nfs/dbraw/zinc/34/16/63/397341663.db2.gz YHYCTKFBLOMKCD-NXEZZACHSA-N 0 0 310.366 0.962 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)C[C@@H]2CCCCNC2=O)C[C@H]1C ZINC000407970311 397341709 /nfs/dbraw/zinc/34/17/09/397341709.db2.gz ZJDPAHMHASXNRS-BFQNTYOBSA-N 0 0 310.394 0.950 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000407990919 397342729 /nfs/dbraw/zinc/34/27/29/397342729.db2.gz RIFKOVATZBCVEU-QWRGUYRKSA-N 0 0 306.370 0.341 10 0 DCAERN CCC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000407973078 397342762 /nfs/dbraw/zinc/34/27/62/397342762.db2.gz OZALTZYMEQWLKM-CHWSQXEVSA-N 0 0 318.439 0.876 10 0 DCAERN CN(C(=O)Cn1cncn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602209366 397345621 /nfs/dbraw/zinc/34/56/21/397345621.db2.gz AOXYYMDEGMMEAV-CYBMUJFWSA-N 0 0 317.324 0.681 10 0 DCAERN O=C1CN(C[C@H]2CCS(=O)(=O)C2)CCN1CC(F)(F)F ZINC000408075352 397346105 /nfs/dbraw/zinc/34/61/05/397346105.db2.gz XXHDDUPWSLAEDY-SECBINFHSA-N 0 0 314.329 0.128 10 0 DCAERN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000408079714 397346602 /nfs/dbraw/zinc/34/66/02/397346602.db2.gz NUAKBIBLOKBVHA-YVECIDJPSA-N 0 0 318.439 0.730 10 0 DCAERN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000408125512 397348447 /nfs/dbraw/zinc/34/84/47/397348447.db2.gz AOHXLWWIJFFUHO-ZDUSSCGKSA-N 0 0 320.393 0.020 10 0 DCAERN O=C(Cn1cc(-c2ccccc2)nn1)N1CC(n2cncn2)C1 ZINC000366190516 397349181 /nfs/dbraw/zinc/34/91/81/397349181.db2.gz HDMSRGAWDYGQNR-UHFFFAOYSA-N 0 0 309.333 0.620 10 0 DCAERN Cn1cc([C@H](NC(=O)NCCn2ncnn2)C(F)(F)F)cn1 ZINC000577702517 397351166 /nfs/dbraw/zinc/35/11/66/397351166.db2.gz CBVZBFZTRCNJBQ-QMMMGPOBSA-N 0 0 318.263 0.009 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000408367674 397354835 /nfs/dbraw/zinc/35/48/35/397354835.db2.gz XQWCONQPSFCXRM-YVECIDJPSA-N 0 0 316.423 0.915 10 0 DCAERN O=C(Nc1cccnc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365853314 397325168 /nfs/dbraw/zinc/32/51/68/397325168.db2.gz LCCIAJZOJKNUMY-CYBMUJFWSA-N 0 0 304.350 0.983 10 0 DCAERN CCOc1ncnc2c1CN(C[C@H](O)Cn1cccn1)CC2 ZINC000368845568 397428542 /nfs/dbraw/zinc/42/85/42/397428542.db2.gz MXJHSMLPOXZCJO-LBPRGKRZSA-N 0 0 303.366 0.491 10 0 DCAERN COC(=O)[C@@](C)(O)CNC(=O)CN(C)c1ccc(Cl)cn1 ZINC000614450854 397440231 /nfs/dbraw/zinc/44/02/31/397440231.db2.gz BDTYFMRXANOSNV-ZDUSSCGKSA-N 0 0 315.757 0.211 10 0 DCAERN Cc1cnn(Cc2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)no2)c1 ZINC000366684651 397389465 /nfs/dbraw/zinc/38/94/65/397389465.db2.gz SXQDCJLMNQZXEP-QWRGUYRKSA-N 0 0 308.313 0.773 10 0 DCAERN O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@@H](F)C[C@H]1CO ZINC000366681816 397389631 /nfs/dbraw/zinc/38/96/31/397389631.db2.gz JHIZWSGPOFEZLB-CIUDSAMLSA-N 0 0 312.263 0.329 10 0 DCAERN CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1 ZINC000366700961 397392592 /nfs/dbraw/zinc/39/25/92/397392592.db2.gz MVROBWLYUNDVAV-HIFRSBDPSA-N 0 0 321.421 0.762 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N3CC(=O)N(C)C3)[C@@H]2C1 ZINC000578161245 397399167 /nfs/dbraw/zinc/39/91/67/397399167.db2.gz CMYIZAAJRSNYDP-YNEHKIRRSA-N 0 0 308.382 0.075 10 0 DCAERN CCS(=O)(=O)N1CCC(C(=O)N2CCOCC[C@@H]2C)CC1 ZINC000367629628 397405130 /nfs/dbraw/zinc/40/51/30/397405130.db2.gz CCXLEXKWYKYZBY-LBPRGKRZSA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)NC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000370246673 397461087 /nfs/dbraw/zinc/46/10/87/397461087.db2.gz HQNAWFHVBNKFHV-UHFFFAOYSA-N 0 0 303.428 0.994 10 0 DCAERN CCOC(=O)c1ncc(CN2CCCS(=O)(=O)CC2)s1 ZINC000602782842 397483706 /nfs/dbraw/zinc/48/37/06/397483706.db2.gz XJNFIRCDALULOK-UHFFFAOYSA-N 0 0 318.420 0.940 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCCC1CC1 ZINC000578826917 397488594 /nfs/dbraw/zinc/48/85/94/397488594.db2.gz OCOJROQHEVURLP-GHMZBOCLSA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCCC1CC1 ZINC000578826925 397488741 /nfs/dbraw/zinc/48/87/41/397488741.db2.gz OCOJROQHEVURLP-QWRGUYRKSA-N 0 0 313.398 0.932 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(O)cc1 ZINC000488261437 397488135 /nfs/dbraw/zinc/48/81/35/397488135.db2.gz XGFGCIURASBYIU-WDEREUQCSA-N 0 0 322.361 0.507 10 0 DCAERN C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CCN1C ZINC000578931563 397502685 /nfs/dbraw/zinc/50/26/85/397502685.db2.gz MDGIAGSUIVGPBO-MNOVXSKESA-N 0 0 319.409 0.787 10 0 DCAERN CCc1nsc(N2CCCN(C[C@@](C)(O)C(C)=O)CC2)n1 ZINC000578991630 397510698 /nfs/dbraw/zinc/51/06/98/397510698.db2.gz FPECGMPNNMQPHW-CQSZACIVSA-N 0 0 312.439 0.953 10 0 DCAERN CN1CC[C@H](Cn2cc(I)cn2)C1=O ZINC000603315438 397596825 /nfs/dbraw/zinc/59/68/25/397596825.db2.gz FZMCUBPHRFAMOU-SSDOTTSWSA-N 0 0 305.119 0.966 10 0 DCAERN O=C(NCCCN1CCCC1=O)N1CCC[C@@H](n2cncn2)C1 ZINC000608143842 397718548 /nfs/dbraw/zinc/71/85/48/397718548.db2.gz NRQLDIPGBDYBJK-CYBMUJFWSA-N 0 0 320.397 0.637 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CNC(=O)CC2CCCC2)CC1=O ZINC000608219152 397721430 /nfs/dbraw/zinc/72/14/30/397721430.db2.gz DIFQXGRAGWZOHN-BNOWGMLFSA-N 0 0 321.421 0.808 10 0 DCAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608399633 397728671 /nfs/dbraw/zinc/72/86/71/397728671.db2.gz GFLZWOKMZRMNQZ-XZUYRWCXSA-N 0 0 305.382 0.869 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)CCNS(C)(=O)=O ZINC000605312165 397663103 /nfs/dbraw/zinc/66/31/03/397663103.db2.gz QURMVGXMOKEGPM-UHFFFAOYSA-N 0 0 313.379 0.547 10 0 DCAERN Cc1nc(CNC(=O)CCCS(=O)(=O)N2CCCC2)no1 ZINC000605515523 397666066 /nfs/dbraw/zinc/66/60/66/397666066.db2.gz JLMQPINQFFRCLE-UHFFFAOYSA-N 0 0 316.383 0.200 10 0 DCAERN CC(=O)c1cnc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)s1 ZINC000605527996 397666694 /nfs/dbraw/zinc/66/66/94/397666694.db2.gz BXTQUWDNRYIMSY-MRVPVSSYSA-N 0 0 317.392 0.708 10 0 DCAERN CNC(=O)[C@@H]1CCCN1CC(=O)Nc1nc2c(s1)CCC2 ZINC000605575453 397668626 /nfs/dbraw/zinc/66/86/26/397668626.db2.gz ASGUZZRYBUDRGB-JTQLQIEISA-N 0 0 308.407 0.781 10 0 DCAERN C[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)C[C@H](C)O ZINC000607240192 397699069 /nfs/dbraw/zinc/69/90/69/397699069.db2.gz VBVWCENUPSXJKD-NEPJUHHUSA-N 0 0 321.443 0.118 10 0 DCAERN O=C(C1CCC1)N1CCN(CCNS(=O)(=O)C2CC2)CC1 ZINC000608024549 397714475 /nfs/dbraw/zinc/71/44/75/397714475.db2.gz LMFICFJHSDLNJT-UHFFFAOYSA-N 0 0 315.439 0.013 10 0 DCAERN COC(=O)c1ccc(=O)n(CC(=O)c2ccc(OC)cc2)n1 ZINC000610034302 397800888 /nfs/dbraw/zinc/80/08/88/397800888.db2.gz LMVUQCGJONOPFG-UHFFFAOYSA-N 0 0 302.286 0.921 10 0 DCAERN COC(=O)c1cn(CC(=O)Nc2ccc3nccn3c2)nn1 ZINC000610473033 397823894 /nfs/dbraw/zinc/82/38/94/397823894.db2.gz PKIQAVUNISATEK-UHFFFAOYSA-N 0 0 300.278 0.351 10 0 DCAERN C[C@H]1C(=O)NCCN1S(=O)(=O)c1cnccc1C(F)(F)F ZINC000408429800 299697708 /nfs/dbraw/zinc/69/77/08/299697708.db2.gz MNMVLMVWSZLMHD-ZETCQYMHSA-N 0 0 323.296 0.609 10 0 DCAERN CCO[C@@H](C)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408051848 286191312 /nfs/dbraw/zinc/19/13/12/286191312.db2.gz JDRSBXWKBXWRKL-TUAOUCFPSA-N 0 0 302.346 0.209 10 0 DCAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000045972976 158000108 /nfs/dbraw/zinc/00/01/08/158000108.db2.gz YHAROVQARFBZQD-LLVKDONJSA-N 0 0 318.377 0.921 10 0 DCAERN O=C(NCCn1c(=O)[nH]c2ccccc2c1=O)c1cccnc1 ZINC000058993648 158026992 /nfs/dbraw/zinc/02/69/92/158026992.db2.gz FDOPNALMVKUYTD-UHFFFAOYSA-N 0 0 310.313 0.515 10 0 DCAERN C[C@@H](CC(=O)N1CCNC(=O)CC1)NC(=O)C1CCCCC1 ZINC000066634484 158036748 /nfs/dbraw/zinc/03/67/48/158036748.db2.gz PYQHTYVDTNWWNR-LBPRGKRZSA-N 0 0 309.410 0.810 10 0 DCAERN NC(=O)NCC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000066931977 158037329 /nfs/dbraw/zinc/03/73/29/158037329.db2.gz YBURUYUUMBNBAO-UHFFFAOYSA-N 0 0 314.349 0.888 10 0 DCAERN COCCN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000073787093 158056567 /nfs/dbraw/zinc/05/65/67/158056567.db2.gz QNHSPHGXHLDDNW-UHFFFAOYSA-N 0 0 301.431 0.764 10 0 DCAERN CCN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)C1 ZINC000073989003 158057406 /nfs/dbraw/zinc/05/74/06/158057406.db2.gz VZAWCBRHQMYCOP-HIFRSBDPSA-N 0 0 321.425 0.226 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3O)C2)cn1 ZINC000074613637 158059352 /nfs/dbraw/zinc/05/93/52/158059352.db2.gz IKWOGVJTORWIRK-CFVMTHIKSA-N 0 0 321.425 0.992 10 0 DCAERN CS(=O)(=O)N1CCC(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000074913129 158060602 /nfs/dbraw/zinc/06/06/02/158060602.db2.gz KJOBJINHSAJWQH-CYBMUJFWSA-N 0 0 324.402 0.908 10 0 DCAERN CCc1cnc(CCNC(=O)N2CCO[C@H](C(N)=O)C2)s1 ZINC000074841738 158060946 /nfs/dbraw/zinc/06/09/46/158060946.db2.gz KWJRKDJREARUHF-JTQLQIEISA-N 0 0 312.395 0.144 10 0 DCAERN Cn1cccc(NS(=O)(=O)c2cccc(C(N)=O)c2)c1=O ZINC000076937654 158066628 /nfs/dbraw/zinc/06/66/28/158066628.db2.gz FTTLSRSIIIRMBW-UHFFFAOYSA-N 0 0 307.331 0.285 10 0 DCAERN CCOC(=O)[C@H]1CCCN(C(=O)CN2[C@H](C)COC[C@@H]2C)C1 ZINC000077657637 158069020 /nfs/dbraw/zinc/06/90/20/158069020.db2.gz FGUVHLUZDGBCPV-MJBXVCDLSA-N 0 0 312.410 0.897 10 0 DCAERN CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077832689 158070544 /nfs/dbraw/zinc/07/05/44/158070544.db2.gz WRTWIWAHPDJXAP-OAHLLOKOSA-N 0 0 318.333 0.952 10 0 DCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000081579058 158086151 /nfs/dbraw/zinc/08/61/51/158086151.db2.gz RWFBPIZADOOPCR-GHMZBOCLSA-N 0 0 312.395 0.362 10 0 DCAERN CC(C)[C@@H](NC(=O)Cc1cccc(O)c1)C(=O)N1CCOCC1 ZINC000084410517 158088672 /nfs/dbraw/zinc/08/86/72/158088672.db2.gz GBZFXYKRRIKEGE-MRXNPFEDSA-N 0 0 320.389 0.934 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CSCN1C(C)=O ZINC000088197154 158093395 /nfs/dbraw/zinc/09/33/95/158093395.db2.gz CONHFSKQFJOZER-QWRGUYRKSA-N 0 0 323.422 0.713 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](O)C2)n1 ZINC000091260188 158108053 /nfs/dbraw/zinc/10/80/53/158108053.db2.gz VEUOCNUAHDPZNS-LBPRGKRZSA-N 0 0 314.345 0.712 10 0 DCAERN CN1CCO[C@H](CN[C@@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000091667465 158109703 /nfs/dbraw/zinc/10/97/03/158109703.db2.gz JJHJSCCFIUUFTR-TZMCWYRMSA-N 0 0 310.419 0.825 10 0 DCAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(C)CCC2)C1 ZINC000092499986 158114009 /nfs/dbraw/zinc/11/40/09/158114009.db2.gz FKSGBGVGZPUQKB-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000093168517 158118813 /nfs/dbraw/zinc/11/88/13/158118813.db2.gz IVYFFTJHXPCXIV-CQSZACIVSA-N 0 0 310.442 0.093 10 0 DCAERN CC[C@H](C)NC(=O)CCNC(=O)N1CCC(n2cncn2)CC1 ZINC000101797991 158127157 /nfs/dbraw/zinc/12/71/57/158127157.db2.gz VTAPXFWMYYVWRO-LBPRGKRZSA-N 0 0 322.413 0.929 10 0 DCAERN CN1CCO[C@H](CNC(=O)NCC(=O)Nc2ccccc2)C1 ZINC000104798282 158129665 /nfs/dbraw/zinc/12/96/65/158129665.db2.gz SIENTESRLVWLEF-CYBMUJFWSA-N 0 0 306.366 0.255 10 0 DCAERN Cc1nc(CN2CCCN(CC(=O)NCC3CCC3)CC2)no1 ZINC000108867669 158137370 /nfs/dbraw/zinc/13/73/70/158137370.db2.gz KUZAVNHMLUTAKD-UHFFFAOYSA-N 0 0 321.425 0.802 10 0 DCAERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648324 158142158 /nfs/dbraw/zinc/14/21/58/158142158.db2.gz VFDHFXPLLAICDM-NXEZZACHSA-N 0 0 309.395 0.021 10 0 DCAERN C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112655002 158143656 /nfs/dbraw/zinc/14/36/56/158143656.db2.gz GZPHQZXCSJVXNU-RKDXNWHRSA-N 0 0 307.383 0.018 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000112722035 158144047 /nfs/dbraw/zinc/14/40/47/158144047.db2.gz QIVMHIUWLXHXHK-NSHDSACASA-N 0 0 303.428 0.852 10 0 DCAERN O=C(NCCN1C(=O)CCC1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000114029930 158150318 /nfs/dbraw/zinc/15/03/18/158150318.db2.gz ZGPOPYGPEZHKGU-GFCCVEGCSA-N 0 0 308.382 0.015 10 0 DCAERN O=C(CN1CCCS1(=O)=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113885786 158150713 /nfs/dbraw/zinc/15/07/13/158150713.db2.gz FSJPFJLKGSAISJ-GFCCVEGCSA-N 0 0 312.395 0.499 10 0 DCAERN CS(=O)(=O)CCN1CCC[C@H]1C(=O)Nc1nccs1 ZINC000114471746 158154507 /nfs/dbraw/zinc/15/45/07/158154507.db2.gz AWOARXDEAJGHSF-VIFPVBQESA-N 0 0 303.409 0.591 10 0 DCAERN O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CN(C2CC2)CCO1 ZINC000114859126 158157753 /nfs/dbraw/zinc/15/77/53/158157753.db2.gz QNIXNQDWDOFJTD-AWEZNQCLSA-N 0 0 318.373 0.937 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccn(C)c(=O)c1)CC2 ZINC000114867264 158159195 /nfs/dbraw/zinc/15/91/95/158159195.db2.gz NCVIXCOLVNFEIH-LLVKDONJSA-N 0 0 301.350 0.284 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCCC(=O)N(C)C)CC2 ZINC000114943523 158159860 /nfs/dbraw/zinc/15/98/60/158159860.db2.gz APGQWIQKEUQCFU-NSHDSACASA-N 0 0 322.413 0.323 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCCn1cccn1)CC2 ZINC000114922683 158160621 /nfs/dbraw/zinc/16/06/21/158160621.db2.gz QPVXHMRGNSAUCX-GFCCVEGCSA-N 0 0 317.397 0.741 10 0 DCAERN Cn1cc([C@@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C2)cn1 ZINC000116119344 158164463 /nfs/dbraw/zinc/16/44/63/158164463.db2.gz YKFBAGPAVVUEFF-LLVKDONJSA-N 0 0 304.350 0.275 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCNC(=O)C2)C1 ZINC000116558980 158165255 /nfs/dbraw/zinc/16/52/55/158165255.db2.gz SIZTVAGCJWHVBD-VXGBXAGGSA-N 0 0 310.398 0.211 10 0 DCAERN Cc1nc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cn1C ZINC000116370768 158166408 /nfs/dbraw/zinc/16/64/08/158166408.db2.gz APDMQTJWUGUPFH-LLVKDONJSA-N 0 0 309.395 0.640 10 0 DCAERN CC(C)(C)c1nc(CN2CC[C@H](NS(C)(=O)=O)C2)no1 ZINC000116887503 158166605 /nfs/dbraw/zinc/16/66/05/158166605.db2.gz IVADAUYUZSPQCM-VIFPVBQESA-N 0 0 302.400 0.491 10 0 DCAERN C[C@H](c1nc(C2CC2)no1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889547 158167059 /nfs/dbraw/zinc/16/70/59/158167059.db2.gz IDEOBIIKEOCCFO-SCZZXKLOSA-N 0 0 300.384 0.632 10 0 DCAERN CCOCCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1CC ZINC000116771619 158167121 /nfs/dbraw/zinc/16/71/21/158167121.db2.gz UUONYDGTWMOWGF-CYBMUJFWSA-N 0 0 324.425 0.554 10 0 DCAERN CC1(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCC1 ZINC000116957775 158169072 /nfs/dbraw/zinc/16/90/72/158169072.db2.gz MAJPOUROTFITDQ-LLVKDONJSA-N 0 0 303.428 0.900 10 0 DCAERN CCOCCN1CCN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1C ZINC000117274771 158170372 /nfs/dbraw/zinc/17/03/72/158170372.db2.gz FQTCQOXKTLXCNA-CYBMUJFWSA-N 0 0 307.394 0.568 10 0 DCAERN COCCN1CCN(S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000117369741 158171955 /nfs/dbraw/zinc/17/19/55/158171955.db2.gz UGDOCWURIGGKRZ-ZDUSSCGKSA-N 0 0 305.444 0.370 10 0 DCAERN CCOCCN1CCN(C(=O)C(=O)Nc2cccnc2)C[C@H]1C ZINC000117521799 158171976 /nfs/dbraw/zinc/17/19/76/158171976.db2.gz WODDZDMIKUDCRQ-CYBMUJFWSA-N 0 0 320.393 0.589 10 0 DCAERN COCCN1CCN(C(=O)NC[C@@H](C)Cn2cccn2)C[C@@H]1C ZINC000117483923 158172127 /nfs/dbraw/zinc/17/21/27/158172127.db2.gz IMQXMKXYWUYRSC-CABCVRRESA-N 0 0 323.441 0.881 10 0 DCAERN COCc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 ZINC000117831916 158174579 /nfs/dbraw/zinc/17/45/79/158174579.db2.gz WVTOJZNESHMBSO-GFCCVEGCSA-N 0 0 318.333 0.695 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)[C@H](C)COC)CC2 ZINC000117924304 158174648 /nfs/dbraw/zinc/17/46/48/158174648.db2.gz VDDQNXGTOIHFMZ-ZJUUUORDSA-N 0 0 302.400 0.110 10 0 DCAERN Cc1cnn(CCNC(=O)Nc2cccnc2-n2cncn2)c1 ZINC000118017970 158174764 /nfs/dbraw/zinc/17/47/64/158174764.db2.gz HIIOPCOKFIQYTQ-UHFFFAOYSA-N 0 0 312.337 0.989 10 0 DCAERN O=C(CNC(=O)Cc1ccccc1)NC[C@]1(CCO)CCOC1 ZINC000119008843 158181416 /nfs/dbraw/zinc/18/14/16/158181416.db2.gz YRGSXKCXWPSNFM-KRWDZBQOSA-N 0 0 320.389 0.251 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N[C@H]1CCN(C)C1=O ZINC000120714912 158202241 /nfs/dbraw/zinc/20/22/41/158202241.db2.gz UBKFCPNQCMDSDI-MNOVXSKESA-N 0 0 320.397 0.766 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000120787186 158203326 /nfs/dbraw/zinc/20/33/26/158203326.db2.gz QIQPRWGEBFXOHB-UHFFFAOYSA-N 0 0 318.377 0.382 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000121261309 158209617 /nfs/dbraw/zinc/20/96/17/158209617.db2.gz OWNTWMCBQKFGBC-CYBMUJFWSA-N 0 0 307.325 0.891 10 0 DCAERN CN(CC(=O)NC(C)(C)C)C(=O)CCOC[C@H]1CCCO1 ZINC000121492104 158211658 /nfs/dbraw/zinc/21/16/58/158211658.db2.gz GGZCIHFZPSAOAY-GFCCVEGCSA-N 0 0 300.399 0.945 10 0 DCAERN CC1(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC000122175606 158218944 /nfs/dbraw/zinc/21/89/44/158218944.db2.gz YLDJUKIIBMCWIT-LLVKDONJSA-N 0 0 303.428 0.757 10 0 DCAERN Cc1nccn1CCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000122389814 158221017 /nfs/dbraw/zinc/22/10/17/158221017.db2.gz KDXAZYIIPULLEG-CYBMUJFWSA-N 0 0 317.397 0.830 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)NCC(C)(C)C(N)=O)cc1C ZINC000122681434 158223203 /nfs/dbraw/zinc/22/32/03/158223203.db2.gz GAZXAQVIZIAULX-UHFFFAOYSA-N 0 0 305.378 0.661 10 0 DCAERN CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC(CO)C1 ZINC000122798820 158224181 /nfs/dbraw/zinc/22/41/81/158224181.db2.gz DFMZOXBLHHPGRO-MRXNPFEDSA-N 0 0 320.389 0.657 10 0 DCAERN CC(=O)N[C@H](C(=O)NCCCN1CCCC1=O)C1CCCC1 ZINC000123105872 158227329 /nfs/dbraw/zinc/22/73/29/158227329.db2.gz HGUGVCPRUAIDJO-HNNXBMFYSA-N 0 0 309.410 0.810 10 0 DCAERN Cn1nc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1=O ZINC000123267208 158227712 /nfs/dbraw/zinc/22/77/12/158227712.db2.gz HLFLGVKVMJXEOT-GFCCVEGCSA-N 0 0 300.318 0.469 10 0 DCAERN Cc1nc(CN2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)no1 ZINC000123900154 158235591 /nfs/dbraw/zinc/23/55/91/158235591.db2.gz YWMXNHLPEHSCAH-LBPRGKRZSA-N 0 0 322.365 0.366 10 0 DCAERN O=C(NCCN1CCOCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123890279 158235642 /nfs/dbraw/zinc/23/56/42/158235642.db2.gz LKYFIORFAPGGMQ-HNNXBMFYSA-N 0 0 320.393 0.577 10 0 DCAERN COC(=O)[C@H](C)CNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000124367997 158240990 /nfs/dbraw/zinc/24/09/90/158240990.db2.gz IMVAFRZCSOEIMS-GFCCVEGCSA-N 0 0 306.362 0.959 10 0 DCAERN Cc1ccc(NC(=O)C(=O)NCC2CC2)cc1S(C)(=O)=O ZINC000124568995 158244294 /nfs/dbraw/zinc/24/42/94/158244294.db2.gz XXVPBRUQIYOLMT-UHFFFAOYSA-N 0 0 310.375 0.863 10 0 DCAERN CN1C[C@@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)CCC1=O ZINC000126080443 158262520 /nfs/dbraw/zinc/26/25/20/158262520.db2.gz GFQYZTAQPHTENK-WCQYABFASA-N 0 0 307.350 0.983 10 0 DCAERN CC1(C)NC(=O)N(CC(=O)N2CCCc3c(N)cccc32)C1=O ZINC000126680281 158267152 /nfs/dbraw/zinc/26/71/52/158267152.db2.gz DIOQIBYPGWVXGF-UHFFFAOYSA-N 0 0 316.361 0.878 10 0 DCAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)Cn3nnnc3C(C)C)[C@H]2C1 ZINC000126728976 158267403 /nfs/dbraw/zinc/26/74/03/158267403.db2.gz KHVRTIHJFIKXTI-FRRDWIJNSA-N 0 0 323.397 0.591 10 0 DCAERN Cn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(O)c3)C2)cn1 ZINC000127190543 158271124 /nfs/dbraw/zinc/27/11/24/158271124.db2.gz ZBQJYBMUWVDOQO-AWEZNQCLSA-N 0 0 323.374 0.888 10 0 DCAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000127889199 158277436 /nfs/dbraw/zinc/27/74/36/158277436.db2.gz LROKDRXXPNNZEK-CYBMUJFWSA-N 0 0 319.409 0.615 10 0 DCAERN CCS(=O)(=O)NCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000128609556 158282808 /nfs/dbraw/zinc/28/28/08/158282808.db2.gz OXAOHRIBNQDFQY-JTQLQIEISA-N 0 0 317.436 0.788 10 0 DCAERN CCn1nccc1/C=C/C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000129287707 158287828 /nfs/dbraw/zinc/28/78/28/158287828.db2.gz IPDPJUITUIQPCA-LLYBFZRZSA-N 0 0 304.394 0.896 10 0 DCAERN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)[C@H](C)CO ZINC000130023293 158293437 /nfs/dbraw/zinc/29/34/37/158293437.db2.gz KHUANXACAHAJMY-BDAKNGLRSA-N 0 0 318.395 0.585 10 0 DCAERN CS[C@H](CO)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000131206234 158300750 /nfs/dbraw/zinc/30/07/50/158300750.db2.gz WZTGVBSYUBYBNO-KWCYVHTRSA-N 0 0 316.467 0.858 10 0 DCAERN Cc1ccc(C)c(OC[C@H](O)Cn2nc(C(N)=O)ccc2=O)c1 ZINC000131284495 158301761 /nfs/dbraw/zinc/30/17/61/158301761.db2.gz CIJUESWDCYJBMZ-GFCCVEGCSA-N 0 0 317.345 0.399 10 0 DCAERN COCC(=O)N[C@H](C(=O)NCc1cccnc1N(C)C)C(C)C ZINC000131464801 158303164 /nfs/dbraw/zinc/30/31/64/158303164.db2.gz OEOXSGWNCWOTJD-AWEZNQCLSA-N 0 0 322.409 0.551 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC000131631365 158304748 /nfs/dbraw/zinc/30/47/48/158304748.db2.gz JNMWTTZRGITGAM-CHWSQXEVSA-N 0 0 313.442 0.452 10 0 DCAERN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000132347367 158310784 /nfs/dbraw/zinc/31/07/84/158310784.db2.gz ONXMWGJYVPEADP-GFCCVEGCSA-N 0 0 303.362 0.462 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCc1c(C)nn(C)c1C ZINC000132628390 158312984 /nfs/dbraw/zinc/31/29/84/158312984.db2.gz CGXCNUYORHMIEH-CYBMUJFWSA-N 0 0 310.423 0.617 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)O1 ZINC000133404652 158319065 /nfs/dbraw/zinc/31/90/65/158319065.db2.gz CUMKXKVTEGOTTA-JHJVBQTASA-N 0 0 318.439 0.874 10 0 DCAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)O1 ZINC000133405024 158319597 /nfs/dbraw/zinc/31/95/97/158319597.db2.gz CUMKXKVTEGOTTA-UPJWGTAASA-N 0 0 318.439 0.874 10 0 DCAERN COCCCCS(=O)(=O)NCCNC(=O)c1cccs1 ZINC000133567378 158320617 /nfs/dbraw/zinc/32/06/17/158320617.db2.gz GRGZHZHOZITRGU-UHFFFAOYSA-N 0 0 320.436 0.824 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)CC2 ZINC000134076104 158324620 /nfs/dbraw/zinc/32/46/20/158324620.db2.gz DWGIEZSZBKRMTD-JTQLQIEISA-N 0 0 316.365 0.240 10 0 DCAERN C[C@H](O)C[C@@H]1COCCN1C(=O)NCc1cccnc1N(C)C ZINC000134703585 158329891 /nfs/dbraw/zinc/32/98/91/158329891.db2.gz UBGVQUQQXDCQDA-GXTWGEPZSA-N 0 0 322.409 0.829 10 0 DCAERN NC(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000134784125 158330612 /nfs/dbraw/zinc/33/06/12/158330612.db2.gz UVVSEXIGYPYREW-SECBINFHSA-N 0 0 311.773 0.488 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1nnc2n1CCCC2 ZINC000135305081 158335476 /nfs/dbraw/zinc/33/54/76/158335476.db2.gz MFXJZFZRWIJOKG-WDEREUQCSA-N 0 0 320.397 0.582 10 0 DCAERN CCN1C[C@@H](C(=O)N[C@@H](C)c2nnc3n2CCCC3)CC1=O ZINC000135351748 158336622 /nfs/dbraw/zinc/33/66/22/158336622.db2.gz IGOXGMYRLINPKP-QWRGUYRKSA-N 0 0 305.382 0.660 10 0 DCAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)CC2 ZINC000135671631 158339261 /nfs/dbraw/zinc/33/92/61/158339261.db2.gz REFLBPQRECBJEU-MXWKQRLJSA-N 0 0 314.411 0.252 10 0 DCAERN CCc1n[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1CC ZINC000135768323 158339774 /nfs/dbraw/zinc/33/97/74/158339774.db2.gz LVILQYKADNJSPJ-ZJUUUORDSA-N 0 0 320.393 0.669 10 0 DCAERN CCN1C[C@H](C(=O)Nc2cc(-c3nccn3C)nn2C)CC1=O ZINC000135779689 158339825 /nfs/dbraw/zinc/33/98/25/158339825.db2.gz PWGPRUXHNOSFQN-SNVBAGLBSA-N 0 0 316.365 0.628 10 0 DCAERN CCN1C[C@@H](C(=O)Nc2cc(-c3nccn3C)nn2C)CC1=O ZINC000135779726 158340484 /nfs/dbraw/zinc/34/04/84/158340484.db2.gz PWGPRUXHNOSFQN-JTQLQIEISA-N 0 0 316.365 0.628 10 0 DCAERN O=C(c1c(O)cnc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000136995370 158343685 /nfs/dbraw/zinc/34/36/85/158343685.db2.gz IWNLBKXFARIZOQ-JTQLQIEISA-N 0 0 312.329 0.790 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccsc1 ZINC000165845619 158365467 /nfs/dbraw/zinc/36/54/67/158365467.db2.gz OPCWGDPVRDPCKQ-HNNXBMFYSA-N 0 0 319.386 0.897 10 0 DCAERN CS(=O)(=O)CCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000165783458 158365947 /nfs/dbraw/zinc/36/59/47/158365947.db2.gz IUTHARAQVNAXDI-WCQYABFASA-N 0 0 304.412 0.368 10 0 DCAERN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@@H](C)[C@@H](C)CO ZINC000167329605 158368424 /nfs/dbraw/zinc/36/84/24/158368424.db2.gz ACTCPTWYOIJICV-YUMQZZPRSA-N 0 0 319.379 0.978 10 0 DCAERN Cn1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1=O ZINC000170222376 158373642 /nfs/dbraw/zinc/37/36/42/158373642.db2.gz NKBOQWNEVNHPLP-LLVKDONJSA-N 0 0 300.314 0.955 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000170656762 158374761 /nfs/dbraw/zinc/37/47/61/158374761.db2.gz XIWZRYLWSDWEBS-NSHDSACASA-N 0 0 306.428 0.732 10 0 DCAERN CS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000170795518 158376898 /nfs/dbraw/zinc/37/68/98/158376898.db2.gz IHJKEFBOVHDHNX-SECBINFHSA-N 0 0 303.409 0.273 10 0 DCAERN Cn1cnnc1SCC(=O)N1CCC(n2cncn2)CC1 ZINC000171030753 158379360 /nfs/dbraw/zinc/37/93/60/158379360.db2.gz UWZFDPBBJVYGSV-UHFFFAOYSA-N 0 0 307.383 0.362 10 0 DCAERN CC1(C)CN(CCNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCO1 ZINC000171223837 158380575 /nfs/dbraw/zinc/38/05/75/158380575.db2.gz KJGGXZJNXBEHPU-UHFFFAOYSA-N 0 0 324.469 0.977 10 0 DCAERN CN(CC(F)(F)F)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171619587 158383975 /nfs/dbraw/zinc/38/39/75/158383975.db2.gz UDMVVPLQJYOBDG-JTQLQIEISA-N 0 0 305.304 0.936 10 0 DCAERN Cc1nnc([C@H](NC(=O)CN2CCCC2=O)c2ccccc2)[nH]1 ZINC000171572025 158384770 /nfs/dbraw/zinc/38/47/70/158384770.db2.gz XGFDOOZSCWSOOY-OAHLLOKOSA-N 0 0 313.361 0.941 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000172028843 158389389 /nfs/dbraw/zinc/38/93/89/158389389.db2.gz FVFCNXFSOBKZHE-QWHCGFSZSA-N 0 0 307.398 0.629 10 0 DCAERN COc1cc(F)ccc1N1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000172087084 158390209 /nfs/dbraw/zinc/39/02/09/158390209.db2.gz WBENOUFLYWVAGR-OAHLLOKOSA-N 0 0 324.352 0.898 10 0 DCAERN CC(C)[C@@H](C)CNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000172500050 158394822 /nfs/dbraw/zinc/39/48/22/158394822.db2.gz CTKKJRRJMMIICZ-LBPRGKRZSA-N 0 0 305.444 0.955 10 0 DCAERN CN1CCN(C(=O)C(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000172526846 158394920 /nfs/dbraw/zinc/39/49/20/158394920.db2.gz JEOXCVAMOGLESA-UHFFFAOYSA-N 0 0 315.333 0.449 10 0 DCAERN COc1c(C(=O)N2CC[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000172742997 158398513 /nfs/dbraw/zinc/39/85/13/158398513.db2.gz CNHBBBZMTVSEQX-LBPRGKRZSA-N 0 0 308.382 0.284 10 0 DCAERN C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172745150 158398721 /nfs/dbraw/zinc/39/87/21/158398721.db2.gz VEELEMSSTDUKOH-STQMWFEESA-N 0 0 321.377 0.331 10 0 DCAERN Cc1ccc([C@H]2CN(C(=O)N[C@H]3CCN(C)C3=O)CCO2)o1 ZINC000179231890 158469956 /nfs/dbraw/zinc/46/99/56/158469956.db2.gz WAPVZLBGAHYJBO-WCQYABFASA-N 0 0 307.350 0.902 10 0 DCAERN CN(C)c1nc(C[S@@](=O)CC(=O)N(C)CC2CC2)ns1 ZINC000180264519 158477468 /nfs/dbraw/zinc/47/74/68/158477468.db2.gz MPSWKKGUSXMSJM-HXUWFJFHSA-N 0 0 316.452 0.721 10 0 DCAERN O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1CCC(=O)NC1=O ZINC000182953903 158494752 /nfs/dbraw/zinc/49/47/52/158494752.db2.gz AUWCGLPCZXQAAF-GFCCVEGCSA-N 0 0 313.317 0.799 10 0 DCAERN Cc1ccc(C(=O)NCC(=O)N[C@]2(CO)CCOC2)cc1C ZINC000184261984 158506103 /nfs/dbraw/zinc/50/61/03/158506103.db2.gz MXSGDKNRSLVRKC-INIZCTEOSA-N 0 0 306.362 0.301 10 0 DCAERN CNC(=O)CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000184847647 158512236 /nfs/dbraw/zinc/51/22/36/158512236.db2.gz YQVUWPBOJLHNIV-GFCCVEGCSA-N 0 0 322.340 0.684 10 0 DCAERN C[C@H](NS(=O)(=O)N1CCC[C@@H]1C)c1nnc2n1CCCC2 ZINC000185070435 158513816 /nfs/dbraw/zinc/51/38/16/158513816.db2.gz BWYJMEASQLYXKU-QWRGUYRKSA-N 0 0 313.427 0.994 10 0 DCAERN Cc1cc(NC(=O)CN2CCOC[C@@H]2c2nc(C)no2)on1 ZINC000185071315 158514120 /nfs/dbraw/zinc/51/41/20/158514120.db2.gz XTGYJEYNHRBBEO-SNVBAGLBSA-N 0 0 307.310 0.686 10 0 DCAERN CC[C@H](CO)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC)CO ZINC000185200665 158515913 /nfs/dbraw/zinc/51/59/13/158515913.db2.gz CJTVSMWLGRPXMQ-MPZDIEGVSA-N 0 0 300.399 0.177 10 0 DCAERN CNC(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc21 ZINC000185180344 158516279 /nfs/dbraw/zinc/51/62/79/158516279.db2.gz QDMZQWQUSYXHTE-LBPRGKRZSA-N 0 0 308.359 0.225 10 0 DCAERN CC(C)CCn1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)nn1 ZINC000186028671 158525834 /nfs/dbraw/zinc/52/58/34/158525834.db2.gz WEHFCPIVKNGQCY-HNNXBMFYSA-N 0 0 308.382 0.956 10 0 DCAERN CN1CCCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1=O ZINC000187921025 158541267 /nfs/dbraw/zinc/54/12/67/158541267.db2.gz WARQHHAJZKAFES-UHFFFAOYSA-N 0 0 315.337 0.358 10 0 DCAERN CN1CCCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000188167737 158542991 /nfs/dbraw/zinc/54/29/91/158542991.db2.gz MDHSKIISQNYRRY-CQSZACIVSA-N 0 0 301.346 0.870 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)CCC1CCCC1 ZINC000188837311 158548111 /nfs/dbraw/zinc/54/81/11/158548111.db2.gz CYIUYKXXUALNOZ-GFCCVEGCSA-N 0 0 309.410 0.810 10 0 DCAERN Cc1cc(N2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)n[nH]1 ZINC000189747457 158555111 /nfs/dbraw/zinc/55/51/11/158555111.db2.gz WSYNAHLIOXMYQV-JTQLQIEISA-N 0 0 314.411 0.047 10 0 DCAERN Cc1cc(N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)n[nH]1 ZINC000189760893 158555176 /nfs/dbraw/zinc/55/51/76/158555176.db2.gz JQNZPJRHZCSUAI-UHFFFAOYSA-N 0 0 301.350 0.677 10 0 DCAERN Nc1nccnc1C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189975281 158556620 /nfs/dbraw/zinc/55/66/20/158556620.db2.gz BJPZDPOXHKVUSW-UHFFFAOYSA-N 0 0 313.365 0.622 10 0 DCAERN CCOC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)C ZINC000190922199 158564144 /nfs/dbraw/zinc/56/41/44/158564144.db2.gz PMGYMDJLOVKKKR-GFCCVEGCSA-N 0 0 321.381 0.307 10 0 DCAERN CCCC(=O)NCC(=O)N1CCC(c2nnc(CC)[nH]2)CC1 ZINC000191533110 158569190 /nfs/dbraw/zinc/56/91/90/158569190.db2.gz NBCHEWHAFNOFKN-UHFFFAOYSA-N 0 0 307.398 0.989 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000191763435 158570742 /nfs/dbraw/zinc/57/07/42/158570742.db2.gz SOTCAAMMLJXCHJ-DIFFPNOSSA-N 0 0 316.357 0.895 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000191760357 158570779 /nfs/dbraw/zinc/57/07/79/158570779.db2.gz ZGXPDKOCBYQJCR-RISCZKNCSA-N 0 0 301.346 0.917 10 0 DCAERN O=C(CCN1CCCS1(=O)=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000194594503 158598001 /nfs/dbraw/zinc/59/80/01/158598001.db2.gz MVABXCTXBOXKLJ-OLZOCXBDSA-N 0 0 316.423 0.582 10 0 DCAERN CCOCCOCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000195213484 158607463 /nfs/dbraw/zinc/60/74/63/158607463.db2.gz OAPXOPMTDUFDEA-ZDUSSCGKSA-N 0 0 306.362 0.961 10 0 DCAERN CCCNC(=O)NC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000195521183 158613450 /nfs/dbraw/zinc/61/34/50/158613450.db2.gz YLQKLYDSTCBBMX-JTQLQIEISA-N 0 0 312.395 0.752 10 0 DCAERN Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@](C)(O)CC1 ZINC000228068126 158620314 /nfs/dbraw/zinc/62/03/14/158620314.db2.gz UQYNHNVGIRTNTO-NSHDSACASA-N 0 0 307.803 0.999 10 0 DCAERN C[C@@H](CCNC(=O)c1ccc(S(N)(=O)=O)cc1)[S@](C)=O ZINC000229858000 158621450 /nfs/dbraw/zinc/62/14/50/158621450.db2.gz UUKLTGWASGQIDK-UGZDLDLSSA-N 0 0 318.420 0.221 10 0 DCAERN CCn1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cn1 ZINC000246419472 158664046 /nfs/dbraw/zinc/66/40/46/158664046.db2.gz MNVVLNSJBKOBQC-IJLUTSLNSA-N 0 0 306.366 0.771 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)CCO ZINC000249761207 158709970 /nfs/dbraw/zinc/70/99/70/158709970.db2.gz AHITXASZOSDUQJ-NEPJUHHUSA-N 0 0 306.428 0.325 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3C[C@H](O)C3(C)C)C2)cn1 ZINC000251701155 158712930 /nfs/dbraw/zinc/71/29/30/158712930.db2.gz JDLWBBLFOFXBOW-UBHSHLNASA-N 0 0 321.425 0.848 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000261822232 158742540 /nfs/dbraw/zinc/74/25/40/158742540.db2.gz UPCSXGFHGDJXIE-OAHLLOKOSA-N 0 0 317.389 0.978 10 0 DCAERN COCCN(C(=O)[C@@H]1C[C@H](OC)CN1C)[C@@H]1CCO[C@H]1C ZINC000329200211 292399757 /nfs/dbraw/zinc/39/97/57/292399757.db2.gz VEOJNXUGCSMMSE-FQUUOJAGSA-N 0 0 300.399 0.358 10 0 DCAERN CS(=O)(=O)N1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC000328646502 159016918 /nfs/dbraw/zinc/01/69/18/159016918.db2.gz HIHRXMLGFZPRNZ-LLVKDONJSA-N 0 0 317.411 0.379 10 0 DCAERN Cn1nnc2cc(C(=O)N3CCN[C@@H](c4cccnc4)C3)cnc21 ZINC000328653766 159018086 /nfs/dbraw/zinc/01/80/86/159018086.db2.gz LIMCRFKQPSBXTA-CQSZACIVSA-N 0 0 323.360 0.545 10 0 DCAERN O=C(C1CC1)[C@H]1CN(C(=O)c2cnn3ccncc23)CCO1 ZINC000328662304 159018464 /nfs/dbraw/zinc/01/84/64/159018464.db2.gz ASGVWKXHXWPRKJ-CYBMUJFWSA-N 0 0 300.318 0.549 10 0 DCAERN CCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)[C@H](C)C1 ZINC000328726091 159025086 /nfs/dbraw/zinc/02/50/86/159025086.db2.gz ZKBVEGAXUPTBGX-SNVBAGLBSA-N 0 0 324.410 0.322 10 0 DCAERN C[C@H](CC(=O)N1CCN(CCO)[C@@H](C)C1)N1CCCCC1=O ZINC000328740904 159025456 /nfs/dbraw/zinc/02/54/56/159025456.db2.gz IPWDJFUUAKVRBY-KGLIPLIRSA-N 0 0 311.426 0.303 10 0 DCAERN Cc1nnc([C@@H]2CCCCN2C(=O)CCN2C(=O)CCC2=O)[nH]1 ZINC000328742675 159025628 /nfs/dbraw/zinc/02/56/28/159025628.db2.gz OBMWQXLFFIXVAC-NSHDSACASA-N 0 0 319.365 0.706 10 0 DCAERN CC1CCN(S(=O)(=O)N2CCC[C@H]2Cn2ccnn2)CC1 ZINC000328904507 159040211 /nfs/dbraw/zinc/04/02/11/159040211.db2.gz ACZPVDMYDROWID-ZDUSSCGKSA-N 0 0 313.427 0.719 10 0 DCAERN c1nc([C@H]2COCCN2Cc2nnc3n2CCCCC3)n[nH]1 ZINC000328910579 159041159 /nfs/dbraw/zinc/04/11/59/159041159.db2.gz NNLUPGNKNSIJKX-LLVKDONJSA-N 0 0 303.370 0.696 10 0 DCAERN Cn1cnnc1COCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328912352 159041237 /nfs/dbraw/zinc/04/12/37/159041237.db2.gz HFANOWPBWQWMDD-DOMZBBRYSA-N 0 0 308.382 0.485 10 0 DCAERN Cn1nnc2cc(C(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)ccc21 ZINC000328923507 159042199 /nfs/dbraw/zinc/04/21/99/159042199.db2.gz UXNZZZMOIGVTSI-LSDHHAIUSA-N 0 0 315.377 0.513 10 0 DCAERN C[C@H](C(=O)N1CCC[C@@H](c2nnc[nH]2)C1)N1CCSCC1 ZINC000328928978 159043032 /nfs/dbraw/zinc/04/30/32/159043032.db2.gz GXKHNXZYVFCWRU-VXGBXAGGSA-N 0 0 309.439 0.948 10 0 DCAERN Cc1nnc2ccc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)cn12 ZINC000328978863 159049013 /nfs/dbraw/zinc/04/90/13/159049013.db2.gz COQYHIALKHYEOG-SECBINFHSA-N 0 0 308.363 0.297 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2nccs2)C1 ZINC000329011238 159051638 /nfs/dbraw/zinc/05/16/38/159051638.db2.gz IFFKYLKMRVHVSK-SKDRFNHKSA-N 0 0 319.390 0.966 10 0 DCAERN O=C(CN1CCN2C(=O)CC[C@@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329047030 159054505 /nfs/dbraw/zinc/05/45/05/159054505.db2.gz QECFBJZWQKOPDK-ILXRZTDVSA-N 0 0 321.421 0.463 10 0 DCAERN Cc1nnc(CN(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1C ZINC000329068532 159057719 /nfs/dbraw/zinc/05/77/19/159057719.db2.gz MLQVWLSWEODIBI-ZIAGYGMSSA-N 0 0 321.425 0.725 10 0 DCAERN COc1cccc(CC(=O)N2CCOC[C@H]2c2nc[nH]n2)n1 ZINC000329071542 159058296 /nfs/dbraw/zinc/05/82/96/159058296.db2.gz NVKZXXMGBUDHAU-NSHDSACASA-N 0 0 303.322 0.351 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)COc1ccccc1O ZINC000329104285 159062067 /nfs/dbraw/zinc/06/20/67/159062067.db2.gz GOJHOOQJEYITGD-LLVKDONJSA-N 0 0 318.333 0.500 10 0 DCAERN O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@](F)(CO)C1 ZINC000329251382 159076241 /nfs/dbraw/zinc/07/62/41/159076241.db2.gz XZVKVCHIWCBKRE-GOEBONIOSA-N 0 0 314.401 0.810 10 0 DCAERN COC1CN(C(=O)C2CCC(C(=O)N3CC(OC)C3)CC2)C1 ZINC000329283267 159079163 /nfs/dbraw/zinc/07/91/63/159079163.db2.gz FRLKYLCTJXJJNX-UHFFFAOYSA-N 0 0 310.394 0.507 10 0 DCAERN NS(=O)(=O)C[C@@H]1CCCN1C(=O)C[C@H]1CCCCNC1=O ZINC000329298711 159080157 /nfs/dbraw/zinc/08/01/57/159080157.db2.gz USPABSYCIDBEPA-MNOVXSKESA-N 0 0 317.411 0.413 10 0 DCAERN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000329329121 159083027 /nfs/dbraw/zinc/08/30/27/159083027.db2.gz VEDPQBHKQSIYIJ-XJFOESAGSA-N 0 0 320.389 0.942 10 0 DCAERN CC(C)[C@@H]1N(C(=O)CCn2ncn(C)c2=O)C[C@@]12CCCO2 ZINC000329329421 159083296 /nfs/dbraw/zinc/08/32/96/159083296.db2.gz KZCHFIXNRBEPHP-ZFWWWQNUSA-N 0 0 308.382 0.388 10 0 DCAERN C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCS1(=O)=O ZINC000329429099 159091572 /nfs/dbraw/zinc/09/15/72/159091572.db2.gz JVXCFABIBSAPJH-LLVKDONJSA-N 0 0 320.374 0.526 10 0 DCAERN O=C(Cn1cccnc1=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329437804 159092545 /nfs/dbraw/zinc/09/25/45/159092545.db2.gz JMVGGACEDPEJQB-CYBMUJFWSA-N 0 0 318.377 0.104 10 0 DCAERN CCn1cnc2c1ncnc2N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000329441671 159093800 /nfs/dbraw/zinc/09/38/00/159093800.db2.gz BJVVWAFMQPCYCX-SNVBAGLBSA-N 0 0 309.395 0.717 10 0 DCAERN Cc1noc2ncc(C(=O)N3CCS(=O)(=O)[C@@H](C)C3)cc12 ZINC000329457594 159095038 /nfs/dbraw/zinc/09/50/38/159095038.db2.gz QPPXWTBQWYVCHY-QMMMGPOBSA-N 0 0 309.347 0.790 10 0 DCAERN CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2nccn2C)cn1 ZINC000329470741 159095392 /nfs/dbraw/zinc/09/53/92/159095392.db2.gz YKFWGIZDWUIARJ-CYBMUJFWSA-N 0 0 323.422 0.608 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)nn1 ZINC000329581165 159104454 /nfs/dbraw/zinc/10/44/54/159104454.db2.gz VBWOSNDVHJQGRP-HBJVGIJOSA-N 0 0 308.382 0.983 10 0 DCAERN C[C@@H]1C[C@@H](S(=O)(=O)NCC(C)(C)N2CCOCC2)CCO1 ZINC000329596750 159105858 /nfs/dbraw/zinc/10/58/58/159105858.db2.gz PGRKITHQCZREIS-OLZOCXBDSA-N 0 0 320.455 0.584 10 0 DCAERN CN(CC1CC1)S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000329658610 159109861 /nfs/dbraw/zinc/10/98/61/159109861.db2.gz HHAXOBGCLKLDNL-UHFFFAOYSA-N 0 0 311.411 0.185 10 0 DCAERN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000329679701 159112234 /nfs/dbraw/zinc/11/22/34/159112234.db2.gz XNKSUDLKRLJVQJ-YRRQLQLVSA-N 0 0 310.354 0.114 10 0 DCAERN C[C@H](OC[C@@H]1CCCO1)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000329701880 159113259 /nfs/dbraw/zinc/11/32/59/159113259.db2.gz HQJGDBYSGZJYET-RWMBFGLXSA-N 0 0 308.382 0.999 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1N1CCOCC1 ZINC000329756590 159117010 /nfs/dbraw/zinc/11/70/10/159117010.db2.gz YSBLOCKXBQEJRB-RDBSUJKOSA-N 0 0 309.410 0.034 10 0 DCAERN O=C(C[C@H]1CCOC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000329823018 159122096 /nfs/dbraw/zinc/12/20/96/159122096.db2.gz HLYCVSHBLMHHRH-KGLIPLIRSA-N 0 0 310.394 0.510 10 0 DCAERN C[C@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)N1CCCCC1=O ZINC000329935271 159130680 /nfs/dbraw/zinc/13/06/80/159130680.db2.gz QXBDBVLPYMRSIS-CABCVRRESA-N 0 0 323.437 0.711 10 0 DCAERN Cn1cc([C@@H]2CCCN2C(=O)c2cn([C@@H]3CCOC3)nn2)cn1 ZINC000330034038 159136716 /nfs/dbraw/zinc/13/67/16/159136716.db2.gz ASEGOVYDAVIIER-OCCSQVGLSA-N 0 0 316.365 0.950 10 0 DCAERN CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cnnn1C ZINC000330044920 159137836 /nfs/dbraw/zinc/13/78/36/159137836.db2.gz HWDFUKGBRDQOLI-UHFFFAOYSA-N 0 0 310.383 0.169 10 0 DCAERN C[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@@H]1N1CCOCC1 ZINC000330092103 159140778 /nfs/dbraw/zinc/14/07/78/159140778.db2.gz QMZRORHYWXINRG-DOMZBBRYSA-N 0 0 315.377 0.522 10 0 DCAERN Cc1cc(CS(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)on1 ZINC000330133245 159144669 /nfs/dbraw/zinc/14/46/69/159144669.db2.gz LUACYKRQOTZXSJ-NSHDSACASA-N 0 0 315.395 0.803 10 0 DCAERN O=C1CCCN1[C@H]1CCN(S(=O)(=O)[C@H]2CCCOC2)C1 ZINC000330159105 159146483 /nfs/dbraw/zinc/14/64/83/159146483.db2.gz QJECCVCAXXUZAG-RYUDHWBXSA-N 0 0 302.396 0.192 10 0 DCAERN COc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)on1 ZINC000330187863 159148814 /nfs/dbraw/zinc/14/88/14/159148814.db2.gz KSCJIGCEWPPWTN-RKDXNWHRSA-N 0 0 308.294 0.977 10 0 DCAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CC[C@@H](CO)C1 ZINC000330224077 159151319 /nfs/dbraw/zinc/15/13/19/159151319.db2.gz SQTVTIOEGYSBTQ-ZIAGYGMSSA-N 0 0 318.439 0.422 10 0 DCAERN COC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000330232199 159152606 /nfs/dbraw/zinc/15/26/06/159152606.db2.gz XHWJWJKYZDYKRX-RGCMKSIDSA-N 0 0 323.393 0.760 10 0 DCAERN O=C(c1cccc2c1OCC(=O)N2)N1CCN2C(=O)NC[C@@H]2C1 ZINC000330278472 159156284 /nfs/dbraw/zinc/15/62/84/159156284.db2.gz PSGCHZJDBQQRCJ-SECBINFHSA-N 0 0 316.317 0.721 10 0 DCAERN CC(C)N1C[C@@H](N2C(=O)N[C@H](c3ccn(C)n3)C2=O)CC1=O ZINC000330276196 159156389 /nfs/dbraw/zinc/15/63/89/159156389.db2.gz MNMROUADJWMOCP-JOYOIKCWSA-N 0 0 305.338 0.227 10 0 DCAERN Cn1nnnc1SCCC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000330299411 159157637 /nfs/dbraw/zinc/15/76/37/159157637.db2.gz HYKCHLATJQJULF-UHFFFAOYSA-N 0 0 320.378 0.378 10 0 DCAERN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC000330320948 159159791 /nfs/dbraw/zinc/15/97/91/159159791.db2.gz RYVIJROJSCFBGZ-PWSUYJOCSA-N 0 0 303.366 0.757 10 0 DCAERN O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000330330517 159160977 /nfs/dbraw/zinc/16/09/77/159160977.db2.gz NJYMHVWSLNXKRO-QWHCGFSZSA-N 0 0 320.393 0.460 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000330359984 159163150 /nfs/dbraw/zinc/16/31/50/159163150.db2.gz WPHFLNKPMKPOHG-FRRDWIJNSA-N 0 0 323.418 0.831 10 0 DCAERN CN(C)S(=O)(=O)c1cccc(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000330549600 159190690 /nfs/dbraw/zinc/19/06/90/159190690.db2.gz DROPWMIGINOCJJ-STQMWFEESA-N 0 0 316.398 0.842 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000330584284 159197745 /nfs/dbraw/zinc/19/77/45/159197745.db2.gz SUINWOOENMTUDT-LBPRGKRZSA-N 0 0 307.375 0.954 10 0 DCAERN C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000332754245 159212587 /nfs/dbraw/zinc/21/25/87/159212587.db2.gz JBRBDHUBOATCLV-IFUGULHKSA-N 0 0 322.409 0.354 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CCO1 ZINC000332759647 159213453 /nfs/dbraw/zinc/21/34/53/159213453.db2.gz VNMVQBLZELUNJQ-MCIONIFRSA-N 0 0 311.382 0.100 10 0 DCAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H]2CCO[C@H]2C2CC2)CCO1 ZINC000332759648 159213849 /nfs/dbraw/zinc/21/38/49/159213849.db2.gz VNMVQBLZELUNJQ-RDBSUJKOSA-N 0 0 311.382 0.100 10 0 DCAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)[C@H]1CCCO1 ZINC000332991622 159219028 /nfs/dbraw/zinc/21/90/28/159219028.db2.gz JJONERFFCUNWBB-FMVNMVDZSA-N 0 0 320.393 0.623 10 0 DCAERN COc1cccc(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@H]32)n1 ZINC000359249040 159256320 /nfs/dbraw/zinc/25/63/20/159256320.db2.gz UYJRZDJWKKZRHL-YPMHNXCESA-N 0 0 303.362 0.760 10 0 DCAERN CCOCc1nc([C@@H](C)NC(=O)NC[C@@H](CO)C2CC2)no1 ZINC000360427568 159269254 /nfs/dbraw/zinc/26/92/54/159269254.db2.gz IOXMOBIIVRLEES-KOLCDFICSA-N 0 0 312.370 0.985 10 0 DCAERN COc1ccc(-c2noc(CN3CC(=O)N(C)C3)n2)c(OC)c1 ZINC000360473673 159269964 /nfs/dbraw/zinc/26/99/64/159269964.db2.gz KQUSNMDGAGEONR-UHFFFAOYSA-N 0 0 318.333 0.985 10 0 DCAERN CN1CCO[C@@H](C(=O)N2CCC(c3noc(C4CC4)n3)CC2)C1 ZINC000364061262 159273691 /nfs/dbraw/zinc/27/36/91/159273691.db2.gz CHHPKNPILLGSCC-CYBMUJFWSA-N 0 0 320.393 0.984 10 0 DCAERN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1=O ZINC000366833132 159292126 /nfs/dbraw/zinc/29/21/26/159292126.db2.gz UTULLCYHQCFDNW-XHJNMGKDSA-N 0 0 309.410 0.798 10 0 DCAERN O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CC[C@H](CO)C1 ZINC000366921860 159297751 /nfs/dbraw/zinc/29/77/51/159297751.db2.gz LECZNZYQYZDKAE-WCQYABFASA-N 0 0 312.435 0.919 10 0 DCAERN COCCOCCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000367239152 159323666 /nfs/dbraw/zinc/32/36/66/159323666.db2.gz SIRCOCYJMZJZAI-DZGCQCFKSA-N 0 0 315.410 0.723 10 0 DCAERN Cn1cc(CN2CCN3CCOC[C@H]3C2)c(-c2ccncc2)n1 ZINC000368284359 159384673 /nfs/dbraw/zinc/38/46/73/159384673.db2.gz NQXKKXZCFXBCRJ-MRXNPFEDSA-N 0 0 313.405 0.999 10 0 DCAERN C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)C[C@H](C(N)=O)O1 ZINC000370481573 159522354 /nfs/dbraw/zinc/52/23/54/159522354.db2.gz UYPRMJRWZSKLHJ-BREBYQMCSA-N 0 0 301.412 0.556 10 0 DCAERN O=C(N[C@@H]1CCCNC1=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000371820722 159587519 /nfs/dbraw/zinc/58/75/19/159587519.db2.gz ONBRDWZLPCXXQA-JHJVBQTASA-N 0 0 305.382 0.945 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2C[C@@H](F)C[C@H]2CO)C1 ZINC000372500844 159627974 /nfs/dbraw/zinc/62/79/74/159627974.db2.gz CQIDFRVRJUWSDF-AVGNSLFASA-N 0 0 300.374 0.956 10 0 DCAERN Cc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000372541052 159629688 /nfs/dbraw/zinc/62/96/88/159629688.db2.gz ZOZQJZPUZPSFED-NSHDSACASA-N 0 0 301.350 0.805 10 0 DCAERN COC[C@@H](O)CNC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000374708362 159747441 /nfs/dbraw/zinc/74/74/41/159747441.db2.gz YNUCMSWOSLQYDJ-SBEAFCBVSA-N 0 0 316.398 0.615 10 0 DCAERN O=C(NCCCO[C@H]1CCOC1)N1CCO[C@]2(CCOC2)C1 ZINC000375114446 159772190 /nfs/dbraw/zinc/77/21/90/159772190.db2.gz MGFOLNNFLDDFIK-DZGCQCFKSA-N 0 0 314.382 0.383 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)Nc1cc(F)ccc1F ZINC000375243648 159779668 /nfs/dbraw/zinc/77/96/68/159779668.db2.gz ZZFYKUFBQNQKQQ-GFCCVEGCSA-N 0 0 311.332 0.920 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)c2occ3c2CCOC3)C1 ZINC000376135517 159840006 /nfs/dbraw/zinc/84/00/06/159840006.db2.gz YMAHZEJGEYDYCB-NSHDSACASA-N 0 0 307.350 0.886 10 0 DCAERN Cn1ncc2c1C[C@@H](C(=O)N1CCCC[C@H]1CC(N)=O)CC2 ZINC000407953524 159995011 /nfs/dbraw/zinc/99/50/11/159995011.db2.gz BHVJLOLVBYOXCC-AAEUAGOBSA-N 0 0 304.394 0.782 10 0 DCAERN C[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(=O)N1C ZINC000407972236 160000102 /nfs/dbraw/zinc/00/01/02/160000102.db2.gz SKUIFPOIQBMEJM-CYBMUJFWSA-N 0 0 317.389 0.826 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 ZINC000407972166 160000247 /nfs/dbraw/zinc/00/02/47/160000247.db2.gz KUUSOKOLHWXHGT-ZDUSSCGKSA-N 0 0 318.439 0.686 10 0 DCAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000407979106 160001783 /nfs/dbraw/zinc/00/17/83/160001783.db2.gz PEWOFBJAQGIGII-GJZGRUSLSA-N 0 0 324.469 0.386 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2cscn2)C1 ZINC000407987158 160003642 /nfs/dbraw/zinc/00/36/42/160003642.db2.gz WOSBARBHAKAVEW-VIFPVBQESA-N 0 0 318.424 0.366 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000407994698 160005907 /nfs/dbraw/zinc/00/59/07/160005907.db2.gz CCDIMHCFHDFIMN-TUKIKUTGSA-N 0 0 318.373 0.868 10 0 DCAERN CNS(=O)(=O)NCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000407999799 160006809 /nfs/dbraw/zinc/00/68/09/160006809.db2.gz XJAAOMCSKBPSDE-YUMQZZPRSA-N 0 0 317.333 0.278 10 0 DCAERN CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)N1CCCCCC1 ZINC000408015497 160011079 /nfs/dbraw/zinc/01/10/79/160011079.db2.gz CKPGGFBIRGZCEL-OLZOCXBDSA-N 0 0 322.471 0.855 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N2CCCSCC2)CC1 ZINC000408013632 160011453 /nfs/dbraw/zinc/01/14/53/160011453.db2.gz VASWTEMADWKZCL-UHFFFAOYSA-N 0 0 322.452 0.555 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000408017740 160012336 /nfs/dbraw/zinc/01/23/36/160012336.db2.gz VCGZVQREWXPXOZ-OCCSQVGLSA-N 0 0 305.378 0.888 10 0 DCAERN CC(C)(C)CS(=O)(=O)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000408026672 160014984 /nfs/dbraw/zinc/01/49/84/160014984.db2.gz GDFYCNAWUDOTJU-ZDUSSCGKSA-N 0 0 316.427 0.481 10 0 DCAERN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCO[C@H]1C ZINC000408026253 160015186 /nfs/dbraw/zinc/01/51/86/160015186.db2.gz DAGWTHOXKPXVRV-DCAQKATOSA-N 0 0 306.384 0.026 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408027257 160015449 /nfs/dbraw/zinc/01/54/49/160015449.db2.gz MJMUPRGMQRNAMJ-NDBYEHHHSA-N 0 0 322.427 0.076 10 0 DCAERN Cc1noc([C@H]2COCCN2S(=O)(=O)N(C)CC(C)C)n1 ZINC000408028058 160015643 /nfs/dbraw/zinc/01/56/43/160015643.db2.gz NXXRZFLEZQUOQY-LLVKDONJSA-N 0 0 318.399 0.584 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000408029324 160015723 /nfs/dbraw/zinc/01/57/23/160015723.db2.gz SXXSGRYUDIGQLL-UWVGGRQHSA-N 0 0 306.409 0.530 10 0 DCAERN C[C@@H]1[C@H](C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)C1(F)F ZINC000408037013 160018316 /nfs/dbraw/zinc/01/83/16/160018316.db2.gz XOIDQMRWDOGESH-CKYFFXLPSA-N 0 0 300.309 0.533 10 0 DCAERN C[C@@H](C(=O)N1CCC[C@](O)(Cn2ccnn2)C1)C1CCOCC1 ZINC000408036941 160018682 /nfs/dbraw/zinc/01/86/82/160018682.db2.gz XGYWZUXDMXWUQY-CZUORRHYSA-N 0 0 322.409 0.694 10 0 DCAERN CCc1nn(C)cc1C(=O)N1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000408035830 160018729 /nfs/dbraw/zinc/01/87/29/160018729.db2.gz NSLQPIGKMTUIHT-CYBMUJFWSA-N 0 0 318.381 0.803 10 0 DCAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408040587 160019594 /nfs/dbraw/zinc/01/95/94/160019594.db2.gz CGKOVUOXGNMSSL-PELKAZGASA-N 0 0 318.299 0.825 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)Nc3cccc(C(N)=O)n3)C[C@H]21 ZINC000408044158 160021905 /nfs/dbraw/zinc/02/19/05/160021905.db2.gz TVCXVJGUPLZHAI-VXGBXAGGSA-N 0 0 319.365 0.117 10 0 DCAERN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C[C@@H](F)C[C@H]1CO ZINC000408047179 160022410 /nfs/dbraw/zinc/02/24/10/160022410.db2.gz OKLJHYLMFMOFGN-ZDEQEGDKSA-N 0 0 315.389 0.796 10 0 DCAERN CC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2c2cccs2)C1 ZINC000408049513 160023060 /nfs/dbraw/zinc/02/30/60/160023060.db2.gz ASQGDZBADIZDTO-AAEUAGOBSA-N 0 0 321.402 0.616 10 0 DCAERN CCCC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](F)C[C@H]2CO)C1 ZINC000408050299 160023742 /nfs/dbraw/zinc/02/37/42/160023742.db2.gz CQIDFRVRJUWSDF-AGIUHOORSA-N 0 0 300.374 0.956 10 0 DCAERN O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1C[C@@H](F)C[C@H]1CO ZINC000408051860 160023832 /nfs/dbraw/zinc/02/38/32/160023832.db2.gz JHIZWSGPOFEZLB-VGMNWLOBSA-N 0 0 312.263 0.329 10 0 DCAERN Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)nn1C ZINC000408052356 160024223 /nfs/dbraw/zinc/02/42/23/160024223.db2.gz LGQQLARXHVMKKV-YPMHNXCESA-N 0 0 324.356 0.140 10 0 DCAERN CC(=O)N1CCC[C@](O)(C(=O)NCC[C@H]2CCO[C@@H](C)C2)C1 ZINC000408053664 160024280 /nfs/dbraw/zinc/02/42/80/160024280.db2.gz IPSOQQLEWVLYSK-DUVNUKRYSA-N 0 0 312.410 0.681 10 0 DCAERN CN1C(=O)N[C@@H]2CN(C(=O)C3CN(CC(F)(F)F)C3)CC[C@@H]21 ZINC000408065616 160026423 /nfs/dbraw/zinc/02/64/23/160026423.db2.gz OZBZRHUBFXZJJM-ZJUUUORDSA-N 0 0 320.315 0.105 10 0 DCAERN O=C(C[C@H]1CCCCNC1=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408066659 160027118 /nfs/dbraw/zinc/02/71/18/160027118.db2.gz AWRYUQIBKRGCOW-MNOVXSKESA-N 0 0 322.365 0.788 10 0 DCAERN CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000408069471 160028434 /nfs/dbraw/zinc/02/84/34/160028434.db2.gz BQTCDFICINDNIK-VNHYZAJKSA-N 0 0 311.426 0.301 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCC1CCN(C(C)=O)CC1 ZINC000408079567 160030840 /nfs/dbraw/zinc/03/08/40/160030840.db2.gz HRQBVOCXYJMHHM-CYBMUJFWSA-N 0 0 313.423 0.283 10 0 DCAERN CS(=O)(=O)N1CCC[C@H](NC(=O)c2ncncc2Cl)C1 ZINC000408078979 160031149 /nfs/dbraw/zinc/03/11/49/160031149.db2.gz FFGOYWXHMPHNMG-QMMMGPOBSA-N 0 0 318.786 0.284 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)C[C@@H]1O ZINC000408096266 160034808 /nfs/dbraw/zinc/03/48/08/160034808.db2.gz YSICFXRPZOZGDG-GWCFXTLKSA-N 0 0 317.345 0.331 10 0 DCAERN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1 ZINC000408096195 160035089 /nfs/dbraw/zinc/03/50/89/160035089.db2.gz XCICUKSWFZBIIE-JQWIXIFHSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@H]1CCN(C(=O)Cn2ncc3ccccc3c2=O)C[C@H]1O ZINC000408095107 160035255 /nfs/dbraw/zinc/03/52/55/160035255.db2.gz XEJGJRLNECCYPZ-SMDDNHRTSA-N 0 0 301.346 0.626 10 0 DCAERN CCN1CCOC[C@@H]1C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000408106360 160037291 /nfs/dbraw/zinc/03/72/91/160037291.db2.gz XJBISJTZWMISCW-ZBFHGGJFSA-N 0 0 322.409 0.215 10 0 DCAERN O=C(CC1CCCC1)NC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000408111027 160038229 /nfs/dbraw/zinc/03/82/29/160038229.db2.gz YICKJGACXYEFGG-ZDUSSCGKSA-N 0 0 321.421 0.810 10 0 DCAERN C[C@@H]1CN(C)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408113429 160038486 /nfs/dbraw/zinc/03/84/86/160038486.db2.gz SHGYWUFPTRBVRM-MGPQQGTHSA-N 0 0 321.421 0.714 10 0 DCAERN C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(C)C[C@@H]2C)C1=O ZINC000408112196 160038968 /nfs/dbraw/zinc/03/89/68/160038968.db2.gz JENXOYMPYSSPOB-STQMWFEESA-N 0 0 317.389 0.963 10 0 DCAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408115773 160039777 /nfs/dbraw/zinc/03/97/77/160039777.db2.gz LZVDQRDSUSFTHU-LSJOCFKGSA-N 0 0 314.363 0.078 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC000408121909 160041212 /nfs/dbraw/zinc/04/12/12/160041212.db2.gz SJBHKRVSWRGWCC-UHFFFAOYSA-N 0 0 301.368 0.614 10 0 DCAERN C[C@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)N2CC[C@@H](C)C2)CC1=O ZINC000408129599 160043434 /nfs/dbraw/zinc/04/34/34/160043434.db2.gz AVCBPQNWFCDGRY-KXNHARMFSA-N 0 0 301.412 0.172 10 0 DCAERN C[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000408142875 160046769 /nfs/dbraw/zinc/04/67/69/160046769.db2.gz YPURQVCHSOPNAR-NEPJUHHUSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@H]1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CC(=O)N1 ZINC000408166971 160051086 /nfs/dbraw/zinc/05/10/86/160051086.db2.gz VLYFLZYBQMSLDW-QWHCGFSZSA-N 0 0 302.378 0.645 10 0 DCAERN CN(C)C(=O)CC1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000408165908 160051381 /nfs/dbraw/zinc/05/13/81/160051381.db2.gz VELZIUACQFLQQR-UHFFFAOYSA-N 0 0 324.425 0.509 10 0 DCAERN C[C@H](C(=O)NC(C)(C)[C@H](C)O)N1C(=O)NC2(CCCC2)C1=O ZINC000408174571 160052642 /nfs/dbraw/zinc/05/26/42/160052642.db2.gz SBEJPEKWXRIUOZ-ZJUUUORDSA-N 0 0 311.382 0.515 10 0 DCAERN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)[C@@H](C)O)C1 ZINC000408172875 160052978 /nfs/dbraw/zinc/05/29/78/160052978.db2.gz BLPRCUNCIIQILC-GHMZBOCLSA-N 0 0 306.428 0.324 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)N1CCC(c2cnn(C)c2)CC1 ZINC000408185002 160054948 /nfs/dbraw/zinc/05/49/48/160054948.db2.gz GBSGFBZDNKDWPC-UHFFFAOYSA-N 0 0 314.411 0.018 10 0 DCAERN CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408187933 160055857 /nfs/dbraw/zinc/05/58/57/160055857.db2.gz QUEJWXXBYJFGJO-CYZMBNFOSA-N 0 0 309.387 0.933 10 0 DCAERN CC(C)C(=O)N1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408201769 160058159 /nfs/dbraw/zinc/05/81/59/160058159.db2.gz JZUOSHVHKHMSPV-UHFFFAOYSA-N 0 0 303.428 0.564 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000408208345 160060713 /nfs/dbraw/zinc/06/07/13/160060713.db2.gz VZUVMXLWYAQMPB-NWDGAFQWSA-N 0 0 305.444 0.150 10 0 DCAERN C[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[S@]1=O ZINC000408211875 160061420 /nfs/dbraw/zinc/06/14/20/160061420.db2.gz RQXADTCZWCJWDR-WSVYEEACSA-N 0 0 305.403 0.886 10 0 DCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000408213478 160061448 /nfs/dbraw/zinc/06/14/48/160061448.db2.gz HOMZOTBKZDEFMH-GRYCIOLGSA-N 0 0 304.412 0.773 10 0 DCAERN Cc1nc(C2CC2)oc1C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000408215399 160061572 /nfs/dbraw/zinc/06/15/72/160061572.db2.gz PSQACFNQGDFGLV-JTQLQIEISA-N 0 0 313.379 0.754 10 0 DCAERN O=C(CNC(=O)c1ccco1)N1CCOC2(CCOCC2)C1 ZINC000408231813 160064583 /nfs/dbraw/zinc/06/45/83/160064583.db2.gz JZOKTXUQWMVVKF-UHFFFAOYSA-N 0 0 308.334 0.417 10 0 DCAERN CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2[C@H](C)C2(F)F)CC1 ZINC000408231533 160065027 /nfs/dbraw/zinc/06/50/27/160065027.db2.gz NNLPASZWUABDFM-WPRPVWTQSA-N 0 0 310.366 0.818 10 0 DCAERN C[C@@H](NS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)c1cnn(C)c1 ZINC000408234295 160065328 /nfs/dbraw/zinc/06/53/28/160065328.db2.gz BWIBFJNVZJGRGT-HBNTYKKESA-N 0 0 302.400 0.425 10 0 DCAERN C[C@H]1[C@@H](C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)C1(F)F ZINC000408232531 160065643 /nfs/dbraw/zinc/06/56/43/160065643.db2.gz UMUMSOSZSFPZSE-WPRPVWTQSA-N 0 0 310.366 0.770 10 0 DCAERN Cc1ocnc1C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408240514 160066724 /nfs/dbraw/zinc/06/67/24/160066724.db2.gz DEOWYUBNCOOCOL-ZJUUUORDSA-N 0 0 301.368 0.573 10 0 DCAERN CC(C)(C)NC(=O)CNC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000408243537 160067877 /nfs/dbraw/zinc/06/78/77/160067877.db2.gz IFAQHTGEAGDXIO-UHFFFAOYSA-N 0 0 319.427 0.120 10 0 DCAERN CC[C@H]1C[C@H](C)CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000408250045 160069941 /nfs/dbraw/zinc/06/99/41/160069941.db2.gz HFVWPMGAUCMNCM-QWRGUYRKSA-N 0 0 303.366 0.777 10 0 DCAERN C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)CCS1(=O)=O ZINC000408253825 160069966 /nfs/dbraw/zinc/06/99/66/160069966.db2.gz JPVFGHWJTABQLB-SSDOTTSWSA-N 0 0 323.321 0.281 10 0 DCAERN CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000408256925 160070443 /nfs/dbraw/zinc/07/04/43/160070443.db2.gz NKOWYHMFMICUQT-DMDPSCGWSA-N 0 0 303.428 0.454 10 0 DCAERN COCC[C@@H]1CCCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000408257978 160070539 /nfs/dbraw/zinc/07/05/39/160070539.db2.gz WXIINFRZHGPMFQ-ZDUSSCGKSA-N 0 0 306.428 0.702 10 0 DCAERN Cc1ccncc1N1CCN(C(=O)[C@]2(O)CCSC2)CC1 ZINC000408261681 160071583 /nfs/dbraw/zinc/07/15/83/160071583.db2.gz SLUXRTBUWFTMET-HNNXBMFYSA-N 0 0 307.419 0.907 10 0 DCAERN C[C@@]1(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCS1 ZINC000408263275 160072304 /nfs/dbraw/zinc/07/23/04/160072304.db2.gz UKXRSLYYTROTGO-JQWIXIFHSA-N 0 0 321.468 0.605 10 0 DCAERN CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408277276 160075443 /nfs/dbraw/zinc/07/54/43/160075443.db2.gz OUZCYLAATJOGIP-TUAOUCFPSA-N 0 0 322.427 0.612 10 0 DCAERN Cc1nc(C)n(C[C@H]2CN(C(=O)c3snnc3C)CCO2)n1 ZINC000408282277 160075599 /nfs/dbraw/zinc/07/55/99/160075599.db2.gz VQGYDFPZZJDIDG-LLVKDONJSA-N 0 0 322.394 0.596 10 0 DCAERN CC(C)(O)CC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408287575 160076606 /nfs/dbraw/zinc/07/66/06/160076606.db2.gz RYFVEUROIMLMLM-NSHDSACASA-N 0 0 300.424 0.714 10 0 DCAERN COC(=O)C1CCN(S(=O)(=O)N[C@H]2CC[C@H](OC)C2)CC1 ZINC000408286685 160076837 /nfs/dbraw/zinc/07/68/37/160076837.db2.gz MZIBBCAECXMGKF-RYUDHWBXSA-N 0 0 320.411 0.273 10 0 DCAERN CCn1nccc1S(=O)(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000408289144 160077363 /nfs/dbraw/zinc/07/73/63/160077363.db2.gz CXNMSVBOKXRHQA-ZJUUUORDSA-N 0 0 300.384 0.178 10 0 DCAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCOC[C@H]1C ZINC000408291616 160077857 /nfs/dbraw/zinc/07/78/57/160077857.db2.gz ZTDUVFFVDHLFLG-GHMZBOCLSA-N 0 0 309.370 0.690 10 0 DCAERN COc1ccnc(N2CCC(C(=O)N3C[C@@H](O)C[C@H]3C)CC2)n1 ZINC000408295556 160078308 /nfs/dbraw/zinc/07/83/08/160078308.db2.gz VGNIUXBJTXIJNC-YPMHNXCESA-N 0 0 320.393 0.683 10 0 DCAERN C[C@H]1C[C@H](O)CN1C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000408294474 160078406 /nfs/dbraw/zinc/07/84/06/160078406.db2.gz MXDBMUPXTDMANJ-RYUDHWBXSA-N 0 0 323.393 0.565 10 0 DCAERN C[C@H]1OCC[C@@]12CN(C(=O)C1(N3CCOCC3)CCC1)CCO2 ZINC000408298771 160078869 /nfs/dbraw/zinc/07/88/69/160078869.db2.gz QKBVPKWFVXUNHD-RHSMWYFYSA-N 0 0 324.421 0.648 10 0 DCAERN NC(=O)c1nccnc1C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000408297656 160078912 /nfs/dbraw/zinc/07/89/12/160078912.db2.gz KWMXZCHMPPFLNR-OAHLLOKOSA-N 0 0 304.350 0.608 10 0 DCAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)C[C@@H]1C ZINC000408296746 160079196 /nfs/dbraw/zinc/07/91/96/160079196.db2.gz CNIVXWKZJULDIV-QFTAPPFESA-N 0 0 302.396 0.348 10 0 DCAERN CN1CCc2ccc(NC(=O)N[C@H]3CCCNC3=O)cc2C1=O ZINC000408301310 160080056 /nfs/dbraw/zinc/08/00/56/160080056.db2.gz RFOPLRVKSURSOZ-ZDUSSCGKSA-N 0 0 316.361 0.715 10 0 DCAERN C[C@@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)C[C@H]1O ZINC000408304226 160080609 /nfs/dbraw/zinc/08/06/09/160080609.db2.gz ADNYRXYKDYGJOB-GHMZBOCLSA-N 0 0 304.412 0.366 10 0 DCAERN C[C@H](CCNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[S@](C)=O ZINC000408307049 160081395 /nfs/dbraw/zinc/08/13/95/160081395.db2.gz RTFCQIJLBUEZHI-OKEVACSZSA-N 0 0 318.439 0.733 10 0 DCAERN C[C@H]1CN(C(=O)NCc2cc(C(N)=O)co2)C[C@]2(CCOC2)O1 ZINC000408306455 160081629 /nfs/dbraw/zinc/08/16/29/160081629.db2.gz QERYIYLACXYLBH-BONVTDFDSA-N 0 0 323.349 0.468 10 0 DCAERN CCc1onc(C)c1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000408311741 160083006 /nfs/dbraw/zinc/08/30/06/160083006.db2.gz ZZKKYKJILKZJDI-SNVBAGLBSA-N 0 0 315.395 0.699 10 0 DCAERN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000408317571 160083812 /nfs/dbraw/zinc/08/38/12/160083812.db2.gz XFHHDODOPQYLIB-LBPRGKRZSA-N 0 0 302.396 0.262 10 0 DCAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C2(O)CCOCC2)C1 ZINC000408321409 160085096 /nfs/dbraw/zinc/08/50/96/160085096.db2.gz PEYWKLSTOAEVJE-OLZOCXBDSA-N 0 0 312.410 0.728 10 0 DCAERN CSc1c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cnn1C ZINC000408330753 160086041 /nfs/dbraw/zinc/08/60/41/160086041.db2.gz TWDKPGWFSCTABD-DGCLKSJQSA-N 0 0 324.450 0.935 10 0 DCAERN CCc1nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)no1 ZINC000408329067 160086231 /nfs/dbraw/zinc/08/62/31/160086231.db2.gz LXMJKOLRTAEJQC-JTQLQIEISA-N 0 0 308.338 0.095 10 0 DCAERN CC(C)NC(=O)CN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O ZINC000408327284 160086302 /nfs/dbraw/zinc/08/63/02/160086302.db2.gz BBJDYNQYUQCVJY-HNNXBMFYSA-N 0 0 311.382 0.779 10 0 DCAERN Cc1noc(CN2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)n1 ZINC000408332901 160086677 /nfs/dbraw/zinc/08/66/77/160086677.db2.gz ZSQBEXXNRWKFFX-YPMHNXCESA-N 0 0 308.382 0.837 10 0 DCAERN CCCN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000408333806 160086954 /nfs/dbraw/zinc/08/69/54/160086954.db2.gz INYGWZXUBJKKSL-UHFFFAOYSA-N 0 0 312.457 0.330 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCSC2)C1=O ZINC000408342744 160088069 /nfs/dbraw/zinc/08/80/69/160088069.db2.gz ZMFCPSUCONAJBD-GHMZBOCLSA-N 0 0 308.407 0.785 10 0 DCAERN CC(C)N1C(=O)C[C@@H](NS(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000408341488 160088093 /nfs/dbraw/zinc/08/80/93/160088093.db2.gz RKLXUBXFGNFPON-WDEREUQCSA-N 0 0 317.411 0.089 10 0 DCAERN Cn1nccc1N1CCC[C@@H](NC(=O)[C@]2(C)CCCO2)C1=O ZINC000408343385 160088961 /nfs/dbraw/zinc/08/89/61/160088961.db2.gz PFXVEJYSGYVNIC-ABAIWWIYSA-N 0 0 306.366 0.601 10 0 DCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000408349483 160089612 /nfs/dbraw/zinc/08/96/12/160089612.db2.gz QGQIIHXFFINCMQ-BDAKNGLRSA-N 0 0 318.420 0.953 10 0 DCAERN COCCN([C@H]1CCOC1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408353401 160090233 /nfs/dbraw/zinc/09/02/33/160090233.db2.gz BBAYLVSAFMTOKG-MJBXVCDLSA-N 0 0 320.455 0.946 10 0 DCAERN CCCNS(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000408362596 160092019 /nfs/dbraw/zinc/09/20/19/160092019.db2.gz PMHWUUDZEXVRAA-GFCCVEGCSA-N 0 0 316.427 0.655 10 0 DCAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H]1O ZINC000408366507 160093345 /nfs/dbraw/zinc/09/33/45/160093345.db2.gz PEKKJZZNAAJCSS-QNWHQSFQSA-N 0 0 318.439 0.755 10 0 DCAERN O=C(CCNC(=O)N1CCO[C@@H](CO)C1)N1CCCCCC1 ZINC000408378441 160095293 /nfs/dbraw/zinc/09/52/93/160095293.db2.gz DZVFJPRTAHUWQU-CYBMUJFWSA-N 0 0 313.398 0.182 10 0 DCAERN CN(C)C(=O)C1(CNC(=O)N2CCO[C@@H](CO)C2)CCCC1 ZINC000408380603 160096126 /nfs/dbraw/zinc/09/61/26/160096126.db2.gz AYDQZQYNQWMNFF-GFCCVEGCSA-N 0 0 313.398 0.038 10 0 DCAERN C[C@H]1Oc2ccc(NC(=O)N3CCO[C@H](CO)C3)cc2NC1=O ZINC000408380009 160096193 /nfs/dbraw/zinc/09/61/93/160096193.db2.gz SAHYOOLOCAOHBM-KOLCDFICSA-N 0 0 321.333 0.631 10 0 DCAERN Cc1cc(=O)[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000408383667 160096776 /nfs/dbraw/zinc/09/67/76/160096776.db2.gz DMSDOIYWEUFOJO-CYBMUJFWSA-N 0 0 319.361 0.559 10 0 DCAERN CCn1cncc1S(=O)(=O)NC1CCN(C(C)=O)CC1 ZINC000408391071 160098433 /nfs/dbraw/zinc/09/84/33/160098433.db2.gz AQURSONRWFTZBN-UHFFFAOYSA-N 0 0 300.384 0.192 10 0 DCAERN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nnc2n1CCOC2 ZINC000408404518 160101072 /nfs/dbraw/zinc/10/10/72/160101072.db2.gz GEFLUNLCDBDAPG-MJVIPROJSA-N 0 0 306.366 0.582 10 0 DCAERN C[C@]1(CCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)NC(=O)NC1=O ZINC000408402046 160101246 /nfs/dbraw/zinc/10/12/46/160101246.db2.gz JPQYLBIDGNUCDR-XHBSWPGZSA-N 0 0 323.393 0.925 10 0 DCAERN COC[C@@H]1CN(C(=O)N[C@H]2CCCn3nc(C)nc32)CCO1 ZINC000408404235 160101363 /nfs/dbraw/zinc/10/13/63/160101363.db2.gz FUVLQBMKFLBUEB-RYUDHWBXSA-N 0 0 309.370 0.478 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)NCC2([S@](C)=O)CCC2)C1 ZINC000408406193 160102223 /nfs/dbraw/zinc/10/22/23/160102223.db2.gz LYFQQAKRDYLWKK-VOJFVSQTSA-N 0 0 308.469 0.854 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000408425531 160104750 /nfs/dbraw/zinc/10/47/50/160104750.db2.gz GMMNMJBJQIIZLM-NWDGAFQWSA-N 0 0 324.425 0.553 10 0 DCAERN CSCC[C@H](CO)NS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000408435735 160107531 /nfs/dbraw/zinc/10/75/31/160107531.db2.gz PGTLCCWKBGSYNE-OUAUKWLOSA-N 0 0 312.457 0.044 10 0 DCAERN Cc1nc(S(=O)(=O)N2CCN(C[C@@H](C)O)CC2)sc1C ZINC000408440073 160108790 /nfs/dbraw/zinc/10/87/90/160108790.db2.gz YCVZTBDCSFDHLX-SECBINFHSA-N 0 0 319.452 0.447 10 0 DCAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(C)CCCO3)CCO2)n1 ZINC000408444322 160109003 /nfs/dbraw/zinc/10/90/03/160109003.db2.gz URLMAJKFBIFNNL-ZFWWWQNUSA-N 0 0 308.382 0.691 10 0 DCAERN CC1(C)CN(C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1O ZINC000408450144 160111092 /nfs/dbraw/zinc/11/10/92/160111092.db2.gz GBEYPXMZZODZJC-NSHDSACASA-N 0 0 302.338 0.897 10 0 DCAERN CCOC[C@@H](C)CS(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000408459596 160113045 /nfs/dbraw/zinc/11/30/45/160113045.db2.gz JDNOMHZGQKZXCG-OLZOCXBDSA-N 0 0 307.412 0.480 10 0 DCAERN CCO[C@@H]1C[C@H](NS(=O)(=O)[C@@H]2CCO[C@H](C)C2)[C@@H]1OC ZINC000408461468 160113379 /nfs/dbraw/zinc/11/33/79/160113379.db2.gz VKGUWQUGETWYMY-LBELIVKGSA-N 0 0 307.412 0.666 10 0 DCAERN O=C(C[C@@H]1CCCCC(=O)N1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408464824 160114777 /nfs/dbraw/zinc/11/47/77/160114777.db2.gz FWTMKALZNHHWEI-MNOVXSKESA-N 0 0 322.365 0.930 10 0 DCAERN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000049042100 286891060 /nfs/dbraw/zinc/89/10/60/286891060.db2.gz GIODGHXCSJTXGK-SNVBAGLBSA-N 0 0 302.371 0.764 10 0 DCAERN COCCN(CCOC)C(=O)CNC(=O)c1ccccc1C ZINC000068324783 286908051 /nfs/dbraw/zinc/90/80/51/286908051.db2.gz AISKLJVXQSTTKF-UHFFFAOYSA-N 0 0 308.378 0.846 10 0 DCAERN C[C@@H](CNC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)cc1F ZINC000074178816 286915406 /nfs/dbraw/zinc/91/54/06/286915406.db2.gz BLUMKTKYAQNTSI-LURJTMIESA-N 0 0 324.287 0.457 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)NCc1ccc(-n2cncn2)cc1 ZINC000121228903 286954373 /nfs/dbraw/zinc/95/43/73/286954373.db2.gz PHSQVXFRBODLPF-UHFFFAOYSA-N 0 0 324.344 0.635 10 0 DCAERN O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121172396 286954508 /nfs/dbraw/zinc/95/45/08/286954508.db2.gz ROQOCXAYBXGMHN-SECBINFHSA-N 0 0 302.281 0.070 10 0 DCAERN CCNC(=O)C1CN(C(=O)c2ccccc2S(=O)(=O)CC)C1 ZINC000121315262 286954692 /nfs/dbraw/zinc/95/46/92/286954692.db2.gz GRCSMCGDNXECKD-UHFFFAOYSA-N 0 0 324.402 0.688 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000121625136 286955625 /nfs/dbraw/zinc/95/56/25/286955625.db2.gz PGWLHPVXCIVBOB-LLVKDONJSA-N 0 0 318.377 0.791 10 0 DCAERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCC[C@H]1C(N)=O ZINC000129224533 286986990 /nfs/dbraw/zinc/98/69/90/286986990.db2.gz QBTVMONIPMZSSF-RISCZKNCSA-N 0 0 306.362 0.813 10 0 DCAERN CCCN(C[C@H]1CCCCO1)C(=O)CN(C)C(=O)COC ZINC000131260140 286999104 /nfs/dbraw/zinc/99/91/04/286999104.db2.gz AVGUHMJFHLANCU-CYBMUJFWSA-N 0 0 300.399 0.899 10 0 DCAERN CNC(=O)C(C)(C)CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000130594406 286994999 /nfs/dbraw/zinc/99/49/99/286994999.db2.gz ZQRKMPTXWIMGNL-LLVKDONJSA-N 0 0 311.304 0.467 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)CCCC(=O)NC[C@H](O)C(C)C ZINC000134240695 287015535 /nfs/dbraw/zinc/01/55/35/287015535.db2.gz MTNGBUMGVFDTEN-STQMWFEESA-N 0 0 302.415 0.423 10 0 DCAERN O=C(CCCNC(=O)C1CC1)Nc1cnn(-c2ncccn2)c1 ZINC000150751292 287030739 /nfs/dbraw/zinc/03/07/39/287030739.db2.gz LUXZKRWQSCITEC-UHFFFAOYSA-N 0 0 314.349 0.907 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)NCCC(=O)N[C@H](C)CC ZINC000151751004 287036160 /nfs/dbraw/zinc/03/61/60/287036160.db2.gz CSISWPBBXLYIII-LLVKDONJSA-N 0 0 323.397 0.653 10 0 DCAERN Cc1nc(CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)no1 ZINC000151811308 287036451 /nfs/dbraw/zinc/03/64/51/287036451.db2.gz SXCQTXFUICRTNV-UHFFFAOYSA-N 0 0 324.362 0.572 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@H](C)c1c(F)cccc1OC ZINC000152020929 287037966 /nfs/dbraw/zinc/03/79/66/287037966.db2.gz IZQVLZGYQQMTLX-SECBINFHSA-N 0 0 318.370 0.951 10 0 DCAERN CN(C[C@H](O)CN1CCOCC1)C(=O)NCCC1=CCCC1 ZINC000152226030 287039789 /nfs/dbraw/zinc/03/97/89/287039789.db2.gz QEAPSCNUZJNSFH-HNNXBMFYSA-N 0 0 311.426 0.821 10 0 DCAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 ZINC000152561393 287042426 /nfs/dbraw/zinc/04/24/26/287042426.db2.gz PPVZJTKZPWQMPK-ZQDZILKHSA-N 0 0 318.373 0.948 10 0 DCAERN COCCCNC(=O)[C@H]1CCC[C@@H]1C(=O)NCCCOC ZINC000152987797 287046120 /nfs/dbraw/zinc/04/61/20/287046120.db2.gz GLPNKFLVZOWTDD-STQMWFEESA-N 0 0 300.399 0.708 10 0 DCAERN Cc1cc(N2CCC[C@@H](NC(=O)c3c[nH]nc3C)C2=O)n(C)n1 ZINC000173067372 287052691 /nfs/dbraw/zinc/05/26/91/287052691.db2.gz NUDCDIYDMKNHTN-GFCCVEGCSA-N 0 0 316.365 0.685 10 0 DCAERN CN(C)c1cccc(CNC(=O)CNC(=O)c2cccnc2)n1 ZINC000153360975 287049634 /nfs/dbraw/zinc/04/96/34/287049634.db2.gz GGDVUGLWNBIGLO-UHFFFAOYSA-N 0 0 313.361 0.589 10 0 DCAERN C[C@H]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C[C@H](C)C1 ZINC000163491890 287051185 /nfs/dbraw/zinc/05/11/85/287051185.db2.gz XZJOSXIAVPTVQN-NWDGAFQWSA-N 0 0 317.455 0.797 10 0 DCAERN CCc1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1F ZINC000179140432 287055291 /nfs/dbraw/zinc/05/52/91/287055291.db2.gz IGEWOTULWFCCCN-UHFFFAOYSA-N 0 0 324.352 0.984 10 0 DCAERN CC(C)(C)OCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000181204963 287056525 /nfs/dbraw/zinc/05/65/25/287056525.db2.gz KDMHNOVUABCMGD-ZDUSSCGKSA-N 0 0 312.410 0.899 10 0 DCAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)c2cnn(C)c2)C1 ZINC000195405243 287062991 /nfs/dbraw/zinc/06/29/91/287062991.db2.gz SVDWEOSKJAMRHX-GFCCVEGCSA-N 0 0 306.366 0.510 10 0 DCAERN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)S(=O)(=O)c1nc[nH]n1 ZINC000246048213 287075601 /nfs/dbraw/zinc/07/56/01/287075601.db2.gz ALXUWTQCIDKUFK-AEJSXWLSSA-N 0 0 300.384 0.471 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)NCCCC(C)(C)CO)[C@@H](C)CO1 ZINC000246220094 287079372 /nfs/dbraw/zinc/07/93/72/287079372.db2.gz UTKNHHQYDWTCJO-NWDGAFQWSA-N 0 0 308.444 0.729 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000246287722 287080722 /nfs/dbraw/zinc/08/07/22/287080722.db2.gz VYQHGBZBEYQSOA-AAVRWANBSA-N 0 0 319.471 0.612 10 0 DCAERN Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1C ZINC000246141432 287077631 /nfs/dbraw/zinc/07/76/31/287077631.db2.gz KJOKMPDBQIKSIS-CMPLNLGQSA-N 0 0 300.428 0.832 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246196563 287078813 /nfs/dbraw/zinc/07/88/13/287078813.db2.gz LPKNDJVGVAPDOL-FWDPORAESA-N 0 0 310.300 0.735 10 0 DCAERN COC(=O)[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000246480104 287084280 /nfs/dbraw/zinc/08/42/80/287084280.db2.gz HPELOFZEJSMPNF-OSMZGAPFSA-N 0 0 304.346 0.789 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000246727469 287087187 /nfs/dbraw/zinc/08/71/87/287087187.db2.gz VSMOSJDOUVMNOS-UISBYWKRSA-N 0 0 308.284 0.990 10 0 DCAERN C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000246841502 287088411 /nfs/dbraw/zinc/08/84/11/287088411.db2.gz UKAKFXHYXZNWTL-KGYLQXTDSA-N 0 0 316.357 0.908 10 0 DCAERN CC(=O)N1CC(NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246969267 287089552 /nfs/dbraw/zinc/08/95/52/287089552.db2.gz LRNAPCJRXHLJSO-TYNCELHUSA-N 0 0 311.426 0.467 10 0 DCAERN C[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)CN1CCOCC1 ZINC000246915535 287089129 /nfs/dbraw/zinc/08/91/29/287089129.db2.gz CQXHVLDIQKLNLC-KBPBESRZSA-N 0 0 319.471 0.521 10 0 DCAERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)C(=O)N1CCCC[C@H]1C ZINC000247380861 287093455 /nfs/dbraw/zinc/09/34/55/287093455.db2.gz OWPJFHDREZXTQG-AGIUHOORSA-N 0 0 324.425 0.696 10 0 DCAERN Cc1cc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@@H](C)C2)on1 ZINC000247079304 287091056 /nfs/dbraw/zinc/09/10/56/287091056.db2.gz NCRQRHGHCWMKAI-VHSXEESVSA-N 0 0 301.368 0.429 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000247222095 287092127 /nfs/dbraw/zinc/09/21/27/287092127.db2.gz WYTYIVYHQGUEQT-SCZZXKLOSA-N 0 0 322.408 0.488 10 0 DCAERN CC(=O)N[C@H](CC(=O)N(C[C@H](C)O)[C@H](C)CO)c1ccccc1 ZINC000248992499 287104867 /nfs/dbraw/zinc/10/48/67/287104867.db2.gz XIGTUEJGBLRROE-DVOMOZLQSA-N 0 0 322.405 0.844 10 0 DCAERN C[C@H](O)CN1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000249183150 287107361 /nfs/dbraw/zinc/10/73/61/287107361.db2.gz NNRCGDLTNYCNDW-RDBSUJKOSA-N 0 0 319.471 0.350 10 0 DCAERN CN(CC(=O)NC1CC1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000249705130 287117385 /nfs/dbraw/zinc/11/73/85/287117385.db2.gz AFXYOOFUYDNRJA-KGLIPLIRSA-N 0 0 309.410 0.367 10 0 DCAERN CO[C@@H]1CN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1C ZINC000249856733 287118450 /nfs/dbraw/zinc/11/84/50/287118450.db2.gz QGZVXBZUNWWSGZ-ZDEQEGDKSA-N 0 0 306.428 0.697 10 0 DCAERN Cc1nc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cn1C ZINC000249915107 287118466 /nfs/dbraw/zinc/11/84/66/287118466.db2.gz XFFSBIYNGOYEHP-PSASIEDQSA-N 0 0 300.384 0.003 10 0 DCAERN C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCN1CCO ZINC000249948287 287118738 /nfs/dbraw/zinc/11/87/38/287118738.db2.gz ILPACUGCPYDZAR-ZFWWWQNUSA-N 0 0 323.437 0.160 10 0 DCAERN CO[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1C ZINC000251679541 287119502 /nfs/dbraw/zinc/11/95/02/287119502.db2.gz IXFOOHVQZYLEFY-DTWKUNHWSA-N 0 0 311.304 0.731 10 0 DCAERN CCCCCN(CCO)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000252692775 287120737 /nfs/dbraw/zinc/12/07/37/287120737.db2.gz NLLNQSYSWKGGMF-STQMWFEESA-N 0 0 308.444 0.825 10 0 DCAERN CC[C@@H]1COCCN1S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)OC ZINC000300177321 287237418 /nfs/dbraw/zinc/23/74/18/287237418.db2.gz XDAPPQMFHXCDKX-WOPDTQHZSA-N 0 0 305.396 0.769 10 0 DCAERN CC(=O)c1nc(NC2CN(S(=O)(=O)N(C)C)C2)sc1C ZINC000624708946 412295917 /nfs/dbraw/zinc/29/59/17/412295917.db2.gz KKUAFNCGRXIPFZ-UHFFFAOYSA-N 0 0 318.424 0.557 10 0 DCAERN NC(=O)C1CCN(c2nc3ccccc3c(NCCO)n2)CC1 ZINC000024052763 415157849 /nfs/dbraw/zinc/15/78/49/415157849.db2.gz ZJHQFJIMDMKAQF-UHFFFAOYSA-N 0 0 315.377 0.736 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NCCCO[C@H]1CCOC1 ZINC000331668974 415177647 /nfs/dbraw/zinc/17/76/47/415177647.db2.gz VZQVQVULDBIDKM-NWDGAFQWSA-N 0 0 302.396 0.220 10 0 DCAERN O=C(NC1CCCC1)c1ccc(N2CCN(CCO)CC2)nn1 ZINC000268274269 415184923 /nfs/dbraw/zinc/18/49/23/415184923.db2.gz TYGBKLOYHMAORE-UHFFFAOYSA-N 0 0 319.409 0.263 10 0 DCAERN Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000268531557 415235445 /nfs/dbraw/zinc/23/54/45/415235445.db2.gz DHBDEZUIGQJHOV-GMTAPVOTSA-N 0 0 316.365 0.482 10 0 DCAERN Cn1nccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000047457401 415272128 /nfs/dbraw/zinc/27/21/28/415272128.db2.gz QUOMBXYXWJRQFU-UHFFFAOYSA-N 0 0 307.375 0.895 10 0 DCAERN CN(C)c1ncccc1CNC(=O)NCCNC(=O)C1CC1 ZINC000047995663 415282701 /nfs/dbraw/zinc/28/27/01/415282701.db2.gz LBYGRZXPPZYKBB-UHFFFAOYSA-N 0 0 305.382 0.473 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000055312012 415331627 /nfs/dbraw/zinc/33/16/27/415331627.db2.gz LCNBJTJGPMACPX-SNVBAGLBSA-N 0 0 314.363 0.755 10 0 DCAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)CC2)cc1C ZINC000275989565 415403203 /nfs/dbraw/zinc/40/32/03/415403203.db2.gz GHBBSQGSFJDHTA-UHFFFAOYSA-N 0 0 317.345 0.485 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](CCO)COC)cn1 ZINC000276017993 415412325 /nfs/dbraw/zinc/41/23/25/415412325.db2.gz QHMOIHKRQJCCPD-HZSPNIEDSA-N 0 0 311.382 0.494 10 0 DCAERN O=C(CN1CSCC1=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275576861 415376981 /nfs/dbraw/zinc/37/69/81/415376981.db2.gz IWYCSZICUJMWBG-SWLSCSKDSA-N 0 0 321.402 0.951 10 0 DCAERN Cc1nc(N2CC[C@@](O)(C(N)=O)C2)ccc1Br ZINC000278690716 415487206 /nfs/dbraw/zinc/48/72/06/415487206.db2.gz HPIOGOHNPMHQMA-NSHDSACASA-N 0 0 300.156 0.579 10 0 DCAERN Cc1nc(-c2ccccn2)nc(N2CC[C@](O)(C(N)=O)C2)c1C ZINC000278797342 415490874 /nfs/dbraw/zinc/49/08/74/415490874.db2.gz QTCIGDDJZSJZLI-MRXNPFEDSA-N 0 0 313.361 0.582 10 0 DCAERN CC(=O)N1CCN(C(=O)CN2CCOC[C@@H]2CC(F)F)CC1 ZINC000353285373 415497218 /nfs/dbraw/zinc/49/72/18/415497218.db2.gz ITVDUXXZJCRFCS-LBPRGKRZSA-N 0 0 319.352 0.033 10 0 DCAERN CCCCS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000075017614 415435137 /nfs/dbraw/zinc/43/51/37/415435137.db2.gz XEZIJHSTTNNMED-ZDUSSCGKSA-N 0 0 318.439 0.830 10 0 DCAERN Cc1cc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cnn1 ZINC000276139325 415435711 /nfs/dbraw/zinc/43/57/11/415435711.db2.gz ANEQOQBZFUUEKH-HNNXBMFYSA-N 0 0 304.394 0.968 10 0 DCAERN C[C@@H](O)CCNC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000077767938 415460224 /nfs/dbraw/zinc/46/02/24/415460224.db2.gz KCDRFWNTZYYYIP-SNVBAGLBSA-N 0 0 310.398 0.834 10 0 DCAERN CN1CCO[C@H]2CCN(C(=O)NCC(=O)N3CCCCC3)C[C@@H]21 ZINC000332751561 415461650 /nfs/dbraw/zinc/46/16/50/415461650.db2.gz CVDXHHJPXWNNJD-KBPBESRZSA-N 0 0 324.425 0.113 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N(C)CCCCO ZINC000276288817 415464800 /nfs/dbraw/zinc/46/48/00/415464800.db2.gz YBYBJNHEQZHWQR-UHFFFAOYSA-N 0 0 307.393 0.928 10 0 DCAERN NC(=O)[C@@]1(O)CCCN(C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000332783297 415474539 /nfs/dbraw/zinc/47/45/39/415474539.db2.gz ADFGVWRCPSKTOA-IAQYHMDHSA-N 0 0 321.381 0.832 10 0 DCAERN Cc1ccn2c(c1)nnc2NC(=O)CCSc1nnnn1C ZINC000088254158 415514517 /nfs/dbraw/zinc/51/45/17/415514517.db2.gz NANJVYZEFQAVFM-UHFFFAOYSA-N 0 0 318.366 0.682 10 0 DCAERN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H](C)C(C)C ZINC000088775037 415516491 /nfs/dbraw/zinc/51/64/91/415516491.db2.gz OBEJAAJKWZQEFZ-SNVBAGLBSA-N 0 0 300.446 0.137 10 0 DCAERN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)O1 ZINC000333028279 415534996 /nfs/dbraw/zinc/53/49/96/415534996.db2.gz LLFXITZDUAEQPR-JHJVBQTASA-N 0 0 319.409 0.659 10 0 DCAERN CO[C@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000280212326 415537421 /nfs/dbraw/zinc/53/74/21/415537421.db2.gz AFFDOBFMNAHTBW-JSGCOSHPSA-N 0 0 320.393 0.765 10 0 DCAERN c1cc(N[C@H]2CCCOC2)nc(N2CCN(C3CC3)CC2)n1 ZINC000333331844 415613679 /nfs/dbraw/zinc/61/36/79/415613679.db2.gz YWGMQXAYOLRBTO-ZDUSSCGKSA-N 0 0 303.410 1.352 10 0 DCAERN CCCCn1c(N)c(N(C)C(=O)[C@H](C)COC)c(=O)[nH]c1=O ZINC000103358434 415615607 /nfs/dbraw/zinc/61/56/07/415615607.db2.gz XJDUDIJPGVBAJA-SECBINFHSA-N 0 0 312.370 0.164 10 0 DCAERN COc1ccc(CCNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104776629 415625702 /nfs/dbraw/zinc/62/57/02/415625702.db2.gz JFJBCGUBBUZFCA-OAHLLOKOSA-N 0 0 307.394 0.868 10 0 DCAERN O=C(CCNC(=O)N1CCNC(=O)CC1)N1CCCCCC1 ZINC000105212190 415629420 /nfs/dbraw/zinc/62/94/20/415629420.db2.gz XHBYVPIJPKNJPB-UHFFFAOYSA-N 0 0 310.398 0.311 10 0 DCAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000333403028 415637380 /nfs/dbraw/zinc/63/73/80/415637380.db2.gz FQUPZPJDVAFSRZ-KCQAQPDRSA-N 0 0 320.393 0.718 10 0 DCAERN O=S(=O)(CCNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)NC1CC1 ZINC000333182763 415578619 /nfs/dbraw/zinc/57/86/19/415578619.db2.gz QCEDTFPGYJBNDR-SCVCMEIPSA-N 0 0 322.452 0.176 10 0 DCAERN CC(=O)N1CC[C@@H](NS(=O)(=O)c2nc(C)c(C)s2)C1 ZINC000333213969 415584401 /nfs/dbraw/zinc/58/44/01/415584401.db2.gz CBTLLRDSDDTMFC-SNVBAGLBSA-N 0 0 303.409 0.659 10 0 DCAERN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1C[C@H](O)C[C@@H]1CO ZINC000333244475 415591987 /nfs/dbraw/zinc/59/19/87/415591987.db2.gz CBFNFRJHMFQLQO-UMVBOHGHSA-N 0 0 307.346 0.422 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000333239814 415592985 /nfs/dbraw/zinc/59/29/85/415592985.db2.gz IHWVRYRKMXHGJN-BJJXKVORSA-N 0 0 310.394 0.794 10 0 DCAERN COC[C@@]1(CNC(=O)COc2ccccc2)C[C@@H](O)[C@@H](O)C1 ZINC000107430736 415668196 /nfs/dbraw/zinc/66/81/96/415668196.db2.gz GGHXNBMGBADPPU-FOLVSLTJSA-N 0 0 309.362 0.330 10 0 DCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1c1cccn1C ZINC000353820195 415668199 /nfs/dbraw/zinc/66/81/99/415668199.db2.gz ADWKBISGNOXHLQ-SNPRPXQTSA-N 0 0 305.378 0.670 10 0 DCAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1C[C@@](C)(O)C1)CC2 ZINC000333516504 415672227 /nfs/dbraw/zinc/67/22/27/415672227.db2.gz JWXFESXYVSBXAB-HFAKWTLXSA-N 0 0 307.398 0.929 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(CC)CC1)CC2 ZINC000114977131 415725462 /nfs/dbraw/zinc/72/54/62/415725462.db2.gz SHLXAWDHWSJMKK-GFCCVEGCSA-N 0 0 306.414 0.502 10 0 DCAERN O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000333752833 415732018 /nfs/dbraw/zinc/73/20/18/415732018.db2.gz NMGZBWXRYGMHOW-RBSFLKMASA-N 0 0 324.421 0.409 10 0 DCAERN C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000116900514 415733521 /nfs/dbraw/zinc/73/35/21/415733521.db2.gz BGJZMVPGBCVRKD-QWHCGFSZSA-N 0 0 305.444 0.226 10 0 DCAERN CCCC(=O)NCC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112056578 415700702 /nfs/dbraw/zinc/70/07/02/415700702.db2.gz NNXWZMFKIRVMTP-MRVPVSSYSA-N 0 0 309.288 0.182 10 0 DCAERN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1 ZINC000120511033 415769042 /nfs/dbraw/zinc/76/90/42/415769042.db2.gz PHCNPGNFEPUASV-WDEREUQCSA-N 0 0 314.407 0.965 10 0 DCAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)c(F)c1 ZINC000120481842 415770297 /nfs/dbraw/zinc/77/02/97/415770297.db2.gz CUKRUAALCVZDBE-SNVBAGLBSA-N 0 0 307.325 0.810 10 0 DCAERN CCCC(=O)NCC(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000120040598 415757718 /nfs/dbraw/zinc/75/77/18/415757718.db2.gz LRDLLNVWTJDYSC-UHFFFAOYSA-N 0 0 305.378 0.957 10 0 DCAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000120135176 415757865 /nfs/dbraw/zinc/75/78/65/415757865.db2.gz MYHXSAICPUJZEF-CHWSQXEVSA-N 0 0 308.378 0.799 10 0 DCAERN O=C(Nc1ccc(-n2ccnc2)nc1)C(=O)N1CCC[C@H]1CO ZINC000121010045 415789728 /nfs/dbraw/zinc/78/97/28/415789728.db2.gz SBDOTBSIYXIGOG-LBPRGKRZSA-N 0 0 315.333 0.189 10 0 DCAERN Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCC[C@H]3CO)ccc21 ZINC000121027091 415792487 /nfs/dbraw/zinc/79/24/87/415792487.db2.gz RZFKZOJFUVPQPD-JTQLQIEISA-N 0 0 319.317 0.053 10 0 DCAERN O=C(Nc1nccs1)[C@H]1CCCN1CCN1C(=O)CCC1=O ZINC000121506118 415809267 /nfs/dbraw/zinc/80/92/67/415809267.db2.gz QYKQDIGAUFKMFS-SNVBAGLBSA-N 0 0 322.390 0.695 10 0 DCAERN COCCN1C[C@@H](C(=O)Nc2nnc3cc(C)ccn32)CC1=O ZINC000121853239 415820138 /nfs/dbraw/zinc/82/01/38/415820138.db2.gz UZKQAYWILQQZTA-NSHDSACASA-N 0 0 317.349 0.471 10 0 DCAERN C[C@@H](O)CCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000126317778 415875524 /nfs/dbraw/zinc/87/55/24/415875524.db2.gz FDSODXOYCQCYRK-NWDGAFQWSA-N 0 0 318.377 0.855 10 0 DCAERN O=C(CNC(=O)c1cccnc1)NCC(=O)c1cccs1 ZINC000126618017 415876720 /nfs/dbraw/zinc/87/67/20/415876720.db2.gz LAKFUAAOTOZHLF-UHFFFAOYSA-N 0 0 303.343 0.872 10 0 DCAERN O=S(=O)(NCCC[C@H]1CCCC[C@H]1O)N1CCOCC1 ZINC000127906956 415893172 /nfs/dbraw/zinc/89/31/72/415893172.db2.gz ZEBCXEUFCCONAD-CHWSQXEVSA-N 0 0 306.428 0.484 10 0 DCAERN CC[C@@H](OC1CCCC1)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000128026431 415895163 /nfs/dbraw/zinc/89/51/63/415895163.db2.gz TZWJTROICNDFCF-DZGCQCFKSA-N 0 0 314.426 0.534 10 0 DCAERN COC[C@@H]1C[C@H](OC)CN1Cc1nnn(CC(F)(F)F)n1 ZINC000344355132 415897120 /nfs/dbraw/zinc/89/71/20/415897120.db2.gz AGBOTZLOPWJGHB-IUCAKERBSA-N 0 0 309.292 0.471 10 0 DCAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000131168089 415927980 /nfs/dbraw/zinc/92/79/80/415927980.db2.gz WEUGWJIDVCQBKQ-BETUJISGSA-N 0 0 318.439 0.828 10 0 DCAERN CC[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1CC(F)F ZINC000125241641 415862171 /nfs/dbraw/zinc/86/21/71/415862171.db2.gz YDWHBVOENAHHQS-MNOVXSKESA-N 0 0 324.393 0.609 10 0 DCAERN C[C@@H]1CN(Cc2ncn(-c3ccccc3)n2)CCS1(=O)=O ZINC000133409722 415946534 /nfs/dbraw/zinc/94/65/34/415946534.db2.gz YZNXEECOUVWMCJ-GFCCVEGCSA-N 0 0 306.391 0.886 10 0 DCAERN Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCNC(=O)CC1 ZINC000133734990 415948882 /nfs/dbraw/zinc/94/88/82/415948882.db2.gz NCUAFRQUQIVKJE-UHFFFAOYSA-N 0 0 309.753 0.935 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3)=NO2)CCC1=O ZINC000133662333 415949381 /nfs/dbraw/zinc/94/93/81/415949381.db2.gz UKIPYTCVOQVFAB-OCCSQVGLSA-N 0 0 301.346 0.917 10 0 DCAERN CC(C)[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000134235067 415955575 /nfs/dbraw/zinc/95/55/75/415955575.db2.gz FDTXUWBJCJHSKI-NSHDSACASA-N 0 0 320.798 0.734 10 0 DCAERN COCCS(=O)(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000153042769 415974728 /nfs/dbraw/zinc/97/47/28/415974728.db2.gz PXHDNVWNXMGAEP-GFCCVEGCSA-N 0 0 314.407 0.840 10 0 DCAERN O=C(CNC(=O)c1cccnc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153950856 415988792 /nfs/dbraw/zinc/98/87/92/415988792.db2.gz ILSZNAVUJCVWET-KBPBESRZSA-N 0 0 303.362 0.981 10 0 DCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC2 ZINC000154991934 415993500 /nfs/dbraw/zinc/99/35/00/415993500.db2.gz AIPOYVGIHRJCBP-LBPRGKRZSA-N 0 0 321.425 0.920 10 0 DCAERN CN(C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000155214347 415995047 /nfs/dbraw/zinc/99/50/47/415995047.db2.gz GYOAQMHXCFQOKF-TUVASFSCSA-N 0 0 324.421 0.897 10 0 DCAERN CN(C)C(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171986810 416041950 /nfs/dbraw/zinc/04/19/50/416041950.db2.gz ZPUPWTMQIZGZMO-XJKSGUPXSA-N 0 0 317.389 0.801 10 0 DCAERN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000172427833 416044855 /nfs/dbraw/zinc/04/48/55/416044855.db2.gz MKLATCIWYQSTJM-WCBMZHEXSA-N 0 0 302.334 0.630 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000172612250 416047612 /nfs/dbraw/zinc/04/76/12/416047612.db2.gz OZFRFRBEJAVSIJ-GRYCIOLGSA-N 0 0 303.428 0.597 10 0 DCAERN COCCNC(=O)CNC(=O)c1cnc(-c2ccncc2)s1 ZINC000172829018 416049090 /nfs/dbraw/zinc/04/90/90/416049090.db2.gz DYQDBOCCAVHYSO-UHFFFAOYSA-N 0 0 320.374 0.698 10 0 DCAERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000173245584 416056078 /nfs/dbraw/zinc/05/60/78/416056078.db2.gz CPKWYVPPJWZQTD-MFKMUULPSA-N 0 0 321.425 0.888 10 0 DCAERN COC[C@H](C)S(=O)(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000173415817 416057383 /nfs/dbraw/zinc/05/73/83/416057383.db2.gz GYOMFVNZVIUIAG-NWDGAFQWSA-N 0 0 316.427 0.343 10 0 DCAERN CC(=O)NCCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173378440 416057479 /nfs/dbraw/zinc/05/74/79/416057479.db2.gz LDCIDFZEKBURGC-UHFFFAOYSA-N 0 0 319.409 0.794 10 0 DCAERN CC(=O)N1CCN(C[C@H](O)COC2CCOCC2)[C@H](C)C1 ZINC000357296439 416058751 /nfs/dbraw/zinc/05/87/51/416058751.db2.gz BVYSFZDMLGKMOO-OCCSQVGLSA-N 0 0 300.399 0.096 10 0 DCAERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1C(C)=O ZINC000357387027 416071637 /nfs/dbraw/zinc/07/16/37/416071637.db2.gz WJRAFUJYKAGFBK-ZDEQEGDKSA-N 0 0 300.424 0.759 10 0 DCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000300172202 416072525 /nfs/dbraw/zinc/07/25/25/416072525.db2.gz QZQOYURRWLTESN-IJLUTSLNSA-N 0 0 305.396 0.817 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174206528 416076129 /nfs/dbraw/zinc/07/61/29/416076129.db2.gz QHAXTOKXDIWPKF-LSDHHAIUSA-N 0 0 312.410 0.220 10 0 DCAERN CCN(C)C(=O)CNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000357428162 416077953 /nfs/dbraw/zinc/07/79/53/416077953.db2.gz QWCBIZNJTZQTBN-NSHDSACASA-N 0 0 311.304 0.564 10 0 DCAERN C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000158824926 416002660 /nfs/dbraw/zinc/00/26/60/416002660.db2.gz KZSQOGALZQVKQU-ZJUUUORDSA-N 0 0 301.364 0.753 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H](C)CO ZINC000158836466 416003084 /nfs/dbraw/zinc/00/30/84/416003084.db2.gz HEHQABDKGPINMW-ZJUUUORDSA-N 0 0 301.364 0.768 10 0 DCAERN COC(=O)c1ccc(CS(=O)(=O)NC[C@H](O)C(C)C)cc1 ZINC000158850022 416003953 /nfs/dbraw/zinc/00/39/53/416003953.db2.gz SWNLYILBQQSPMA-ZDUSSCGKSA-N 0 0 315.391 0.910 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC1CCSCC1 ZINC000356942868 416009169 /nfs/dbraw/zinc/00/91/69/416009169.db2.gz CGOQZVIGKLQWLQ-CMPLNLGQSA-N 0 0 300.424 0.475 10 0 DCAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C ZINC000166751520 416022348 /nfs/dbraw/zinc/02/23/48/416022348.db2.gz SCHXNXAIFDLMNW-LBPRGKRZSA-N 0 0 307.325 0.810 10 0 DCAERN O=C(NCCCOCCO)c1ccc(-c2ccccn2)[nH]c1=O ZINC000357048129 416026108 /nfs/dbraw/zinc/02/61/08/416026108.db2.gz CLBAVSJJPQSWSF-UHFFFAOYSA-N 0 0 317.345 0.978 10 0 DCAERN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000298814359 416031681 /nfs/dbraw/zinc/03/16/81/416031681.db2.gz MCMQHYWPHPAGTQ-SNVBAGLBSA-N 0 0 308.363 0.848 10 0 DCAERN Cc1nc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc2nncn21 ZINC000298838901 416033869 /nfs/dbraw/zinc/03/38/69/416033869.db2.gz IHGVGKKTEKGMSW-LLVKDONJSA-N 0 0 324.410 0.293 10 0 DCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000170822871 416035039 /nfs/dbraw/zinc/03/50/39/416035039.db2.gz WVPVLZMKXPQNIF-XCBNKYQSSA-N 0 0 314.338 0.692 10 0 DCAERN CC(=O)N1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000298929007 416040023 /nfs/dbraw/zinc/04/00/23/416040023.db2.gz KEWNILMMIMNKGH-UHFFFAOYSA-N 0 0 319.405 0.931 10 0 DCAERN C[C@H]1CN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCS1 ZINC000171696187 416041020 /nfs/dbraw/zinc/04/10/20/416041020.db2.gz IZZKZUFATHSZRC-QMMMGPOBSA-N 0 0 324.406 0.074 10 0 DCAERN CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174907495 416089732 /nfs/dbraw/zinc/08/97/32/416089732.db2.gz LUKAXOUMXHEXCQ-STQMWFEESA-N 0 0 315.439 0.465 10 0 DCAERN CNC(=O)[C@@H](Nc1ccc(S(=O)(=O)NC)cn1)C(C)C ZINC000301782901 416092385 /nfs/dbraw/zinc/09/23/85/416092385.db2.gz NSGUDTIKRDRWAY-NSHDSACASA-N 0 0 300.384 0.172 10 0 DCAERN O=C(CO)N1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000301828384 416093984 /nfs/dbraw/zinc/09/39/84/416093984.db2.gz GGFPGIOFOWMGCZ-UHFFFAOYSA-N 0 0 306.753 0.924 10 0 DCAERN Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000174998253 416094808 /nfs/dbraw/zinc/09/48/08/416094808.db2.gz CQLSXBAZDRYCKA-NEPJUHHUSA-N 0 0 306.366 0.377 10 0 DCAERN CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)C1=O ZINC000175056017 416095414 /nfs/dbraw/zinc/09/54/14/416095414.db2.gz ZNLFWIVKIZPYTN-GJZGRUSLSA-N 0 0 323.437 0.567 10 0 DCAERN C[C@@](O)(CNC(=O)N[C@H]1CCc2ncnn2C1)c1ccco1 ZINC000175117066 416097222 /nfs/dbraw/zinc/09/72/22/416097222.db2.gz PUGKLLMGJKRMKQ-IINYFYTJSA-N 0 0 305.338 0.393 10 0 DCAERN COCCN1CCN(S(=O)(=O)CCOC(C)C)C[C@H]1C ZINC000175119318 416097950 /nfs/dbraw/zinc/09/79/50/416097950.db2.gz ROYQPQIZNULYQC-CYBMUJFWSA-N 0 0 308.444 0.394 10 0 DCAERN C[C@H]1CC[C@H](C)N(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000175162761 416098148 /nfs/dbraw/zinc/09/81/48/416098148.db2.gz JNRNKMULFUBEBW-QWRGUYRKSA-N 0 0 303.428 0.549 10 0 DCAERN NS(=O)(=O)c1cnc(NCc2ccc3cc[nH]c3n2)s1 ZINC000357586988 416100184 /nfs/dbraw/zinc/10/01/84/416100184.db2.gz RJNTYLPBKXNFNK-UHFFFAOYSA-N 0 0 309.376 1.279 10 0 DCAERN CCS(=O)(=O)N1CCN(CC2(O)CCC(C)CC2)CC1 ZINC000304319983 416103257 /nfs/dbraw/zinc/10/32/57/416103257.db2.gz PHQKKUZXZOHINK-UHFFFAOYSA-N 0 0 304.456 0.895 10 0 DCAERN COC[C@H](NS(=O)(=O)N1C[C@H](C)OC[C@H]1C)c1ccco1 ZINC000175353322 416103536 /nfs/dbraw/zinc/10/35/36/416103536.db2.gz RMEVDAYZZYIYCZ-WOPDTQHZSA-N 0 0 318.395 0.911 10 0 DCAERN CC[C@@H](O)CN1CCN(C(=O)CCOC2CCOCC2)CC1 ZINC000175386823 416104212 /nfs/dbraw/zinc/10/42/12/416104212.db2.gz YQXNOIURSCHOIR-CQSZACIVSA-N 0 0 314.426 0.487 10 0 DCAERN COCCOC1CCC(C(=O)N2C[C@H](OC)C[C@H]2CO)CC1 ZINC000345495839 416105011 /nfs/dbraw/zinc/10/50/11/416105011.db2.gz WEKTUPFKLPRJAK-OOJKYFRXSA-N 0 0 315.410 0.816 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(-c3ncn(C)n3)cc2)C1 ZINC000345510081 416106204 /nfs/dbraw/zinc/10/62/04/416106204.db2.gz MVXOUEWUWMEQGM-KBPBESRZSA-N 0 0 316.361 0.704 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H]3CCCOC3)CCO2)[nH]1 ZINC000178089134 416156103 /nfs/dbraw/zinc/15/61/03/416156103.db2.gz XGRLKQZKYFFCKW-QWRGUYRKSA-N 0 0 309.370 0.629 10 0 DCAERN NC(=O)CCNC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000178090516 416156109 /nfs/dbraw/zinc/15/61/09/416156109.db2.gz DRJHECUHDDVSGG-LBPRGKRZSA-N 0 0 310.398 0.342 10 0 DCAERN C[C@H](O)CC(C)(C)CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000175553453 416109216 /nfs/dbraw/zinc/10/92/16/416109216.db2.gz YKIXRXABXKEJIW-KBPBESRZSA-N 0 0 315.458 0.930 10 0 DCAERN C[C@@H](O)CC(C)(C)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000175553510 416109738 /nfs/dbraw/zinc/10/97/38/416109738.db2.gz YKIXRXABXKEJIW-ZIAGYGMSSA-N 0 0 315.458 0.930 10 0 DCAERN COc1cc(NC(=O)CN(C)CC(=O)NC(C)C)ccc1O ZINC000357634701 416110486 /nfs/dbraw/zinc/11/04/86/416110486.db2.gz DHWKUHCMMAIVKY-UHFFFAOYSA-N 0 0 309.366 0.796 10 0 DCAERN CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000314014300 416111262 /nfs/dbraw/zinc/11/12/62/416111262.db2.gz OGBXMJNZEAUAIE-KBPBESRZSA-N 0 0 311.403 0.946 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000175707613 416111809 /nfs/dbraw/zinc/11/18/09/416111809.db2.gz GCMMOQDERXUCMY-LBPRGKRZSA-N 0 0 322.413 0.166 10 0 DCAERN Cc1noc(CCNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000175743193 416112272 /nfs/dbraw/zinc/11/22/72/416112272.db2.gz AUXWRGSQIOYQAN-YPMHNXCESA-N 0 0 323.397 0.283 10 0 DCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](COC)C1 ZINC000176182809 416119954 /nfs/dbraw/zinc/11/99/54/416119954.db2.gz DOROADMGBJRUDB-VXGBXAGGSA-N 0 0 323.397 0.732 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000176098093 416120941 /nfs/dbraw/zinc/12/09/41/416120941.db2.gz QSBXUBNXQXPION-BDAKNGLRSA-N 0 0 321.299 0.038 10 0 DCAERN O=S1(=O)CC[C@@H](Nc2nccc(N[C@@H]3CCCOC3)n2)C1 ZINC000328627065 416123733 /nfs/dbraw/zinc/12/37/33/416123733.db2.gz FTVDMRVTZIQTEH-GHMZBOCLSA-N 0 0 312.395 0.667 10 0 DCAERN CC(C)Oc1cccnc1C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000176266228 416123737 /nfs/dbraw/zinc/12/37/37/416123737.db2.gz XDHPRVBBQMTPLZ-NSHDSACASA-N 0 0 304.350 0.718 10 0 DCAERN c1nc2n(n1)C[C@@H](Nc1nccc(N[C@H]3CCCOC3)n1)CC2 ZINC000328638563 416125890 /nfs/dbraw/zinc/12/58/90/416125890.db2.gz PECDNFQWICOMGX-RYUDHWBXSA-N 0 0 315.381 1.086 10 0 DCAERN CN(C)C(=O)[C@H]1CCCN1c1nccc(N[C@@H]2CCCOC2)n1 ZINC000328630589 416125940 /nfs/dbraw/zinc/12/59/40/416125940.db2.gz JOUQUFTWSYDVJB-CHWSQXEVSA-N 0 0 319.409 1.125 10 0 DCAERN C[C@@H](CNC(=O)N[C@H]1CCCn2ncnc21)N1CCOCC1 ZINC000176396017 416126469 /nfs/dbraw/zinc/12/64/69/416126469.db2.gz QNNQZFIYMAYABD-RYUDHWBXSA-N 0 0 308.386 0.133 10 0 DCAERN C[C@@H](CC1CC1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000176496033 416128302 /nfs/dbraw/zinc/12/83/02/416128302.db2.gz DSQNPAJNXMYGGB-NSHDSACASA-N 0 0 305.382 0.967 10 0 DCAERN COc1cncc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2)n1 ZINC000357777687 416130477 /nfs/dbraw/zinc/13/04/77/416130477.db2.gz FVJCDUXUCJAAON-UHFFFAOYSA-N 0 0 311.305 0.841 10 0 DCAERN Cc1c(NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C)cnn1C ZINC000176640796 416130840 /nfs/dbraw/zinc/13/08/40/416130840.db2.gz ZZCRJOILYDUACF-HNNXBMFYSA-N 0 0 310.398 0.970 10 0 DCAERN NC(=O)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)o1 ZINC000176645002 416131439 /nfs/dbraw/zinc/13/14/39/416131439.db2.gz RAQUEGZZEOGTTI-HWYHXSKPSA-N 0 0 307.350 0.681 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)NC(C)(C)c1nccs1 ZINC000176736464 416133264 /nfs/dbraw/zinc/13/32/64/416133264.db2.gz SWNMAUSIWGPDKS-UHFFFAOYSA-N 0 0 305.425 0.776 10 0 DCAERN CCS(=O)(=O)N(C)CC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000176778565 416134309 /nfs/dbraw/zinc/13/43/09/416134309.db2.gz AVXIKNGHSIZWPR-LBPRGKRZSA-N 0 0 316.379 0.461 10 0 DCAERN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000357819294 416136667 /nfs/dbraw/zinc/13/66/67/416136667.db2.gz WBQLDPHXCPQXJT-KYOSRNDESA-N 0 0 320.393 0.577 10 0 DCAERN CCn1ncnc1CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000357942092 416156942 /nfs/dbraw/zinc/15/69/42/416156942.db2.gz JRUOVLDGDLDJSX-NSHDSACASA-N 0 0 301.350 0.733 10 0 DCAERN CCN1CCC[C@@H]1CN(C)C(=O)CS(=O)(=O)CC(C)C ZINC000176999952 416138395 /nfs/dbraw/zinc/13/83/95/416138395.db2.gz DOMDWOFVUZJCFH-CYBMUJFWSA-N 0 0 304.456 1.000 10 0 DCAERN Nc1c(C(=O)NC[C@@H](CO)C2CC2)cnn1-c1ccccn1 ZINC000357831775 416138414 /nfs/dbraw/zinc/13/84/14/416138414.db2.gz POKRUSQTFCRNEA-NSHDSACASA-N 0 0 301.350 0.598 10 0 DCAERN CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCC(=O)c4cccn43)C[C@H]21 ZINC000328915662 416139205 /nfs/dbraw/zinc/13/92/05/416139205.db2.gz QWPWNTBBCHIAFD-IIAWOOMASA-N 0 0 317.389 0.937 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCCO[C@@H]2CCOC2)[C@H](C)C1 ZINC000357847091 416142042 /nfs/dbraw/zinc/14/20/42/416142042.db2.gz AFIOIMLOJUNZGO-TZMCWYRMSA-N 0 0 313.398 0.444 10 0 DCAERN CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(C)C ZINC000178700080 416169200 /nfs/dbraw/zinc/16/92/00/416169200.db2.gz FBJAWDVNGPPDIC-ONGXEEELSA-N 0 0 311.407 0.753 10 0 DCAERN CNC(=O)[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(C)C ZINC000178679989 416169570 /nfs/dbraw/zinc/16/95/70/416169570.db2.gz FRVWHFUUYXGMCB-CQSZACIVSA-N 0 0 305.378 0.823 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(C)C ZINC000178725790 416171069 /nfs/dbraw/zinc/17/10/69/416171069.db2.gz LLRWGMQNYMFVKI-NSHDSACASA-N 0 0 304.412 0.088 10 0 DCAERN COC(=O)N1CC(NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000178754323 416173044 /nfs/dbraw/zinc/17/30/44/416173044.db2.gz WFOAESFEMNKTNV-UHFFFAOYSA-N 0 0 307.354 0.749 10 0 DCAERN CCc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000178958580 416179302 /nfs/dbraw/zinc/17/93/02/416179302.db2.gz BDAXTODQOXHJIP-AWEZNQCLSA-N 0 0 316.405 0.304 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)NCCS(C)(=O)=O)CCO2)o1 ZINC000179200460 416184900 /nfs/dbraw/zinc/18/49/00/416184900.db2.gz AKUSOTKOOSLNJF-LBPRGKRZSA-N 0 0 316.379 0.716 10 0 DCAERN CCN(C(=O)c1c[nH]c(CCOCCOC)n1)[C@@H]1CCOC1 ZINC000358083924 416188488 /nfs/dbraw/zinc/18/84/88/416188488.db2.gz LECYIRLNGNPRAU-GFCCVEGCSA-N 0 0 311.382 0.866 10 0 DCAERN CNC(=O)Cn1cc(NC(=O)N[C@H](CO)c2ccccc2)cn1 ZINC000179457527 416188852 /nfs/dbraw/zinc/18/88/52/416188852.db2.gz ZBJMAMOOIHFLLG-CYBMUJFWSA-N 0 0 317.349 0.484 10 0 DCAERN Cc1ccn(-c2ccccc2NC(=O)Cn2ncn(C)c2=O)n1 ZINC000179544586 416190837 /nfs/dbraw/zinc/19/08/37/416190837.db2.gz WZDILOHNKBOUIH-UHFFFAOYSA-N 0 0 312.333 0.715 10 0 DCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cn(C)nc1CC)CC2 ZINC000180253318 416195477 /nfs/dbraw/zinc/19/54/77/416195477.db2.gz HKVBUMDAAQHEHS-SNVBAGLBSA-N 0 0 302.382 0.881 10 0 DCAERN C[C@H]1CCN(S(=O)(=O)[C@@H]2CCCOC2)CCS1(=O)=O ZINC000330280294 416199499 /nfs/dbraw/zinc/19/94/99/416199499.db2.gz SFMAHJXLXMFOOH-WDEREUQCSA-N 0 0 311.425 0.004 10 0 DCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181342082 416206787 /nfs/dbraw/zinc/20/67/87/416206787.db2.gz LSYNRYLKPURXOV-WCQYABFASA-N 0 0 321.425 0.444 10 0 DCAERN CCS(=O)(=O)C[C@@H](C)NC(=O)NCCN1CC=C(C)CC1 ZINC000358186435 416206985 /nfs/dbraw/zinc/20/69/85/416206985.db2.gz JCFVIMSNNTYYAH-CYBMUJFWSA-N 0 0 317.455 0.761 10 0 DCAERN CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)O2 ZINC000181470073 416208581 /nfs/dbraw/zinc/20/85/81/416208581.db2.gz TYZVDIRJMIXPRQ-MYMJJRTCSA-N 0 0 312.410 0.755 10 0 DCAERN CC1=CCN(CCNC(=O)NCCCS(C)(=O)=O)CC1 ZINC000358202438 416210090 /nfs/dbraw/zinc/21/00/90/416210090.db2.gz WAQPGRMVZKKYHX-UHFFFAOYSA-N 0 0 303.428 0.372 10 0 DCAERN Cn1cnn(CC(=O)N2CCC(Cc3ccccn3)CC2)c1=O ZINC000181651600 416210380 /nfs/dbraw/zinc/21/03/80/416210380.db2.gz CTWOHNMMJZJGNY-UHFFFAOYSA-N 0 0 315.377 0.458 10 0 DCAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCC(=O)NCC1CC1 ZINC000182034133 416214584 /nfs/dbraw/zinc/21/45/84/416214584.db2.gz FJAMIEWVYYCMJA-CQSZACIVSA-N 0 0 319.409 0.892 10 0 DCAERN C[C@H](CNC(=O)Cn1ncn(C)c1=O)c1ccc(F)cc1F ZINC000182233923 416216180 /nfs/dbraw/zinc/21/61/80/416216180.db2.gz MRWRMYCACAXEDV-SECBINFHSA-N 0 0 310.304 0.780 10 0 DCAERN C[C@H](NC(=O)NCCNC(=O)c1ccccc1)c1nc[nH]n1 ZINC000182287067 416218261 /nfs/dbraw/zinc/21/82/61/416218261.db2.gz ZSOKGZMGNLBRGS-JTQLQIEISA-N 0 0 302.338 0.595 10 0 DCAERN Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](CO)C1CC1 ZINC000358297639 416222116 /nfs/dbraw/zinc/22/21/16/416222116.db2.gz FITOESNCKOTIFY-CYBMUJFWSA-N 0 0 315.373 0.840 10 0 DCAERN O=C(CNC(=O)COc1ccccc1)NC[C@@H](CO)C1CC1 ZINC000358302185 416222512 /nfs/dbraw/zinc/22/25/12/416222512.db2.gz JJKQIYLRMQOHGO-ZDUSSCGKSA-N 0 0 306.362 0.316 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)Nc2ccncc2O)c1 ZINC000358340897 416225554 /nfs/dbraw/zinc/22/55/54/416225554.db2.gz QMXOCRZBFCDYGL-UHFFFAOYSA-N 0 0 307.331 0.370 10 0 DCAERN C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000182535277 416226383 /nfs/dbraw/zinc/22/63/83/416226383.db2.gz ANPAQGRMRGSMIZ-TZMCWYRMSA-N 0 0 320.393 0.989 10 0 DCAERN Cc1ccc([C@@H]2CN(C(=O)Cn3ncn(C)c3=O)CCO2)o1 ZINC000182679170 416228334 /nfs/dbraw/zinc/22/83/34/416228334.db2.gz ISDUEAFRIIHPFC-LBPRGKRZSA-N 0 0 306.322 0.083 10 0 DCAERN COC(=O)Cn1cc(CCN2CCCC[C@@H]2c2nc[nH]n2)nn1 ZINC000182708111 416230483 /nfs/dbraw/zinc/23/04/83/416230483.db2.gz URGULIXDNJWGIS-GFCCVEGCSA-N 0 0 319.369 0.339 10 0 DCAERN CCNC(=O)C1CN(C(=O)C[C@@H](NC(N)=O)c2cccs2)C1 ZINC000178137881 416157901 /nfs/dbraw/zinc/15/79/01/416157901.db2.gz NKNCHYUAXOLPOK-SNVBAGLBSA-N 0 0 324.406 0.442 10 0 DCAERN O=C(CNC(=O)c1ccccn1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000178188299 416159663 /nfs/dbraw/zinc/15/96/63/416159663.db2.gz QNHOMPQNNKOFGP-GXTWGEPZSA-N 0 0 303.362 0.839 10 0 DCAERN CC(C)N1C(=O)C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1=O ZINC000183598477 416247110 /nfs/dbraw/zinc/24/71/10/416247110.db2.gz KLAXRUCKBYLHBD-NSHDSACASA-N 0 0 304.350 0.413 10 0 DCAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000183740842 416251137 /nfs/dbraw/zinc/25/11/37/416251137.db2.gz WUGKAQLTBSPXHB-QMTHXVAHSA-N 0 0 319.336 0.270 10 0 DCAERN CSCCN1C(=O)N[C@@](C)(c2cccc(C(N)=O)c2)C1=O ZINC000358567944 416254116 /nfs/dbraw/zinc/25/41/16/416254116.db2.gz QIWIBJXGYYZYRS-AWEZNQCLSA-N 0 0 307.375 0.916 10 0 DCAERN Cc1cccc(C)c1-n1nnnc1CN1C[C@H](O)C[C@@H]1CO ZINC000185190814 416254511 /nfs/dbraw/zinc/25/45/11/416254511.db2.gz UUNUVAZEWBSMKL-CHWSQXEVSA-N 0 0 303.366 0.207 10 0 DCAERN CCOCCOC[C@H](O)CNC(=O)NCc1cnc(C)s1 ZINC000358579132 416256868 /nfs/dbraw/zinc/25/68/68/416256868.db2.gz KPEHRMQKWQFIEP-LLVKDONJSA-N 0 0 317.411 0.665 10 0 DCAERN Cn1nc(C(=O)N2Cc3cnnn3Cc3ccccc32)ccc1=O ZINC000188985905 416263851 /nfs/dbraw/zinc/26/38/51/416263851.db2.gz BNANJDJSZPSGJO-UHFFFAOYSA-N 0 0 322.328 0.581 10 0 DCAERN CN(CC(=O)N1CC2(CCCC2)OC(C)(C)C1)S(C)(=O)=O ZINC000189375832 416265484 /nfs/dbraw/zinc/26/54/84/416265484.db2.gz PYFVXPHOMLDWMK-UHFFFAOYSA-N 0 0 318.439 0.828 10 0 DCAERN COc1ccc2[nH]c(C(=O)N3CCOC[C@@H]3C(N)=O)cc2c1 ZINC000189589155 416268914 /nfs/dbraw/zinc/26/89/14/416268914.db2.gz OHJPGUZZOXRFGO-CYBMUJFWSA-N 0 0 303.318 0.503 10 0 DCAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000358694414 416269544 /nfs/dbraw/zinc/26/95/44/416269544.db2.gz RSPRVQUALIMHMN-TZMCWYRMSA-N 0 0 309.410 0.857 10 0 DCAERN CNC(=O)CC1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000190206140 416275036 /nfs/dbraw/zinc/27/50/36/416275036.db2.gz JKVAFPUINRKNGO-JQWIXIFHSA-N 0 0 304.412 0.342 10 0 DCAERN CC(=O)NC1CCC(NC(=O)N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC000358807580 416276271 /nfs/dbraw/zinc/27/62/71/416276271.db2.gz ZTNDKLRSGJOIDO-VCANKDNSSA-N 0 0 324.425 0.696 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H](C)CC(C)(C)OC)C1 ZINC000358807428 416276748 /nfs/dbraw/zinc/27/67/48/416276748.db2.gz ZKXSCSDLXWYKDV-GRYCIOLGSA-N 0 0 300.399 0.990 10 0 DCAERN CS(=O)(=O)c1cccc(NC(=O)N2CC(n3ccnn3)C2)c1 ZINC000358434445 416237067 /nfs/dbraw/zinc/23/70/67/416237067.db2.gz JMCFHFCJNMDOQM-UHFFFAOYSA-N 0 0 321.362 0.770 10 0 DCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000193169906 416313344 /nfs/dbraw/zinc/31/33/44/416313344.db2.gz IIIPUENXZJNYLQ-ZYHUDNBSSA-N 0 0 324.402 0.746 10 0 DCAERN C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193277360 416313783 /nfs/dbraw/zinc/31/37/83/416313783.db2.gz YWGPSDFWGREUQM-AOUSDQRYSA-N 0 0 307.375 0.990 10 0 DCAERN C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000193277334 416315011 /nfs/dbraw/zinc/31/50/11/416315011.db2.gz YWGPSDFWGREUQM-FPVGNUTFSA-N 0 0 307.375 0.990 10 0 DCAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc3cc[nH]c3c2)C[C@H](CO)O1 ZINC000193507609 416317948 /nfs/dbraw/zinc/31/79/48/416317948.db2.gz LHSOLBIUODTCIH-GXFFZTMASA-N 0 0 317.345 0.715 10 0 DCAERN COC[C@H](CNC(=O)C(=O)Nc1cc(OC)ccc1F)OC ZINC000358818138 416278981 /nfs/dbraw/zinc/27/89/81/416278981.db2.gz CJOHVSQSHGSMOQ-JTQLQIEISA-N 0 0 314.313 0.550 10 0 DCAERN CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190629704 416280886 /nfs/dbraw/zinc/28/08/86/416280886.db2.gz UVZXORGGVSFNCF-LLVKDONJSA-N 0 0 316.354 0.733 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N2CC(NC(C)=O)C2)n1 ZINC000191504166 416287000 /nfs/dbraw/zinc/28/70/00/416287000.db2.gz BWGAWBMGZUGVKZ-UHFFFAOYSA-N 0 0 300.771 0.812 10 0 DCAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000191749519 416289113 /nfs/dbraw/zinc/28/91/13/416289113.db2.gz JAJRWZXQPFZOMB-RYUDHWBXSA-N 0 0 318.377 0.267 10 0 DCAERN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000192084689 416298231 /nfs/dbraw/zinc/29/82/31/416298231.db2.gz LOCJKLQGCDXQAO-PWSUYJOCSA-N 0 0 306.366 0.776 10 0 DCAERN CC(C)n1nnnc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000195083039 416325207 /nfs/dbraw/zinc/32/52/07/416325207.db2.gz WBOJFLHKANQDGA-CYBMUJFWSA-N 0 0 306.414 0.992 10 0 DCAERN CC(C)c1nnc(CN2CCC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000195075175 416325242 /nfs/dbraw/zinc/32/52/42/416325242.db2.gz SIWLNRUAFCOKSO-LLVKDONJSA-N 0 0 315.443 0.452 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)C[C@@H](C)OC)CCN1CCOC ZINC000195264992 416325657 /nfs/dbraw/zinc/32/56/57/416325657.db2.gz NJCFNGORDKHLJN-CHWSQXEVSA-N 0 0 308.444 0.394 10 0 DCAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000237927016 416329335 /nfs/dbraw/zinc/32/93/35/416329335.db2.gz CXYVWNAKKUGXPF-AWEZNQCLSA-N 0 0 324.425 0.161 10 0 DCAERN CC[C@](C)(OC)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000360054974 416368754 /nfs/dbraw/zinc/36/87/54/416368754.db2.gz NPCSUSXDDXWSPG-HNNXBMFYSA-N 0 0 300.399 0.897 10 0 DCAERN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC[C@@H](CO)C1CC1 ZINC000359822706 416360714 /nfs/dbraw/zinc/36/07/14/416360714.db2.gz NPHOWCKZTWTGKD-BBRMVZONSA-N 0 0 308.378 0.042 10 0 DCAERN CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@H](CO)C2CC2)nn1 ZINC000359821619 416360969 /nfs/dbraw/zinc/36/09/69/416360969.db2.gz LKOXQWSUUCLCAZ-LLVKDONJSA-N 0 0 308.382 0.642 10 0 DCAERN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](CO)[C@@H]1C ZINC000360866663 416414447 /nfs/dbraw/zinc/41/44/47/416414447.db2.gz DNMXGYRBLIEHOB-RYUDHWBXSA-N 0 0 300.399 0.395 10 0 DCAERN CCOCc1nc([C@H](C)NC(=O)NC[C@H](C)CCO)no1 ZINC000360437659 416390142 /nfs/dbraw/zinc/39/01/42/416390142.db2.gz NNUSAEKNSARQOD-ZJUUUORDSA-N 0 0 300.359 0.985 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N1CCN2C(=O)NC[C@H]2C1 ZINC000360493656 416392988 /nfs/dbraw/zinc/39/29/88/416392988.db2.gz YHWSZVHSHKYAFG-LBPRGKRZSA-N 0 0 314.349 0.482 10 0 DCAERN C[C@H]1CN(C(=O)NCc2ccc3cc[nH]c3n2)CC(=O)N1C ZINC000360492442 416393013 /nfs/dbraw/zinc/39/30/13/416393013.db2.gz RVNFGDJJZYEGLD-JTQLQIEISA-N 0 0 301.350 0.935 10 0 DCAERN C[C@H](NC(N)=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000360575199 416397361 /nfs/dbraw/zinc/39/73/61/416397361.db2.gz WBRNPKMCYOSAJS-AAEUAGOBSA-N 0 0 307.350 0.350 10 0 DCAERN C[C@@H]1OCC[C@]1(O)CNC(=O)NCc1ccc2cc[nH]c2n1 ZINC000360711936 416405352 /nfs/dbraw/zinc/40/53/52/416405352.db2.gz HNKAMXPOGIKSFG-BONVTDFDSA-N 0 0 304.350 0.902 10 0 DCAERN CCn1ncnc1CNC(=O)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000360740101 416406831 /nfs/dbraw/zinc/40/68/31/416406831.db2.gz SIYIKTRMNJYOPS-GFCCVEGCSA-N 0 0 305.382 0.729 10 0 DCAERN CSCC[C@@H](NC(=O)COc1cnn(C)c1)C(=O)N(C)C ZINC000360798540 416410694 /nfs/dbraw/zinc/41/06/94/416410694.db2.gz QLMMAQXTPGORMS-LLVKDONJSA-N 0 0 314.411 0.125 10 0 DCAERN O=C(c1cc[nH]n1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000360822671 416412222 /nfs/dbraw/zinc/41/22/22/416412222.db2.gz BXDAESXQTSGZGY-SNVBAGLBSA-N 0 0 312.395 0.344 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)N(C)CCCCCO)C1 ZINC000434283234 416467832 /nfs/dbraw/zinc/46/78/32/416467832.db2.gz ZISIOOUZQCUPTG-LBPRGKRZSA-N 0 0 300.403 0.594 10 0 DCAERN O=C(CN1CC[C@@](O)(c2cn[nH]n2)C1)NCc1ccccc1F ZINC000583618209 416477256 /nfs/dbraw/zinc/47/72/56/416477256.db2.gz LCMLQZRKHLTNGC-HNNXBMFYSA-N 0 0 319.340 0.154 10 0 DCAERN Cc1cc(F)ccc1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458543585 416478923 /nfs/dbraw/zinc/47/89/23/416478923.db2.gz XEXBHFACJJMGKC-AWEZNQCLSA-N 0 0 321.356 0.628 10 0 DCAERN NC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)c2ccccc2)C1 ZINC000533187089 416480408 /nfs/dbraw/zinc/48/04/08/416480408.db2.gz FVVOEMKWGZQLMN-UONOGXRCSA-N 0 0 305.378 0.669 10 0 DCAERN CCN1CCN(C(=O)Cc2cnn(C)c2)C[C@@H]1c1nccn1C ZINC000583623181 416480742 /nfs/dbraw/zinc/48/07/42/416480742.db2.gz WIWJOGJJDASYHM-CQSZACIVSA-N 0 0 316.409 0.602 10 0 DCAERN CN(C(=O)CN1CSCC1=O)c1ccc(C(F)(F)F)nn1 ZINC000583973169 416488707 /nfs/dbraw/zinc/48/87/07/416488707.db2.gz MVBMGXRPKGMHAO-UHFFFAOYSA-N 0 0 320.296 0.991 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)COC[C@H]1CCCO1 ZINC000532705676 416450749 /nfs/dbraw/zinc/45/07/49/416450749.db2.gz IVJFYVKANLBKAD-KFWWJZLASA-N 0 0 315.410 0.959 10 0 DCAERN CC(=O)N[C@@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)C(C)C ZINC000590312848 416526050 /nfs/dbraw/zinc/52/60/50/416526050.db2.gz HFIMBKHNEYVZGR-CQSZACIVSA-N 0 0 301.350 1.571 10 0 DCAERN Cc1cnc(NC[C@@H](O)C(F)F)nc1NC[C@H](O)C(F)F ZINC000435604234 416526719 /nfs/dbraw/zinc/52/67/19/416526719.db2.gz CKFSHADZJDELIB-NKWVEPMBSA-N 0 0 312.267 0.861 10 0 DCAERN CCOc1ccc(NC(=O)NC[C@H](O)Cn2ccnn2)cc1 ZINC000459304529 416529993 /nfs/dbraw/zinc/52/99/93/416529993.db2.gz UJDXMDMYEQUPBR-LBPRGKRZSA-N 0 0 305.338 0.859 10 0 DCAERN Cc1cc(C)n(CC(=O)N2CCC(N3CN=NC3=O)CC2)n1 ZINC000537730338 416561886 /nfs/dbraw/zinc/56/18/86/416561886.db2.gz YROOPKCCJQPYGK-UHFFFAOYSA-N 0 0 304.354 0.661 10 0 DCAERN Cc1conc1NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000435851285 416539180 /nfs/dbraw/zinc/53/91/80/416539180.db2.gz MOSCRVAZIBDIHQ-UHFFFAOYSA-N 0 0 303.322 1.051 10 0 DCAERN CNC(=O)NC(=O)CN1CCO[C@@H](COc2ccccc2)C1 ZINC000361987657 416541013 /nfs/dbraw/zinc/54/10/13/416541013.db2.gz UDSSDUJWCNCCLL-CYBMUJFWSA-N 0 0 307.350 0.222 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)C1 ZINC000536477604 416542195 /nfs/dbraw/zinc/54/21/95/416542195.db2.gz PUIQBPGREFRUBC-SNVBAGLBSA-N 0 0 315.337 0.542 10 0 DCAERN COc1cccc(CCNC(=O)N2CCC[C@H](OCCO)C2)n1 ZINC000436220396 416552791 /nfs/dbraw/zinc/55/27/91/416552791.db2.gz LMTLBQNVIULARH-AWEZNQCLSA-N 0 0 323.393 0.816 10 0 DCAERN COC[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccc(F)cc1 ZINC000436433964 416558484 /nfs/dbraw/zinc/55/84/84/416558484.db2.gz DBWGPLWJQHKUMP-GFCCVEGCSA-N 0 0 320.324 1.002 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(C)CC3)sc2C1 ZINC000434767880 416495839 /nfs/dbraw/zinc/49/58/39/416495839.db2.gz UFRLTRQZURYBKF-SNVBAGLBSA-N 0 0 322.434 0.980 10 0 DCAERN C[C@@H]1CCc2nc(NC(=O)C(=O)Nc3cc[nH]n3)sc2C1 ZINC000435106639 416508944 /nfs/dbraw/zinc/50/89/44/416508944.db2.gz CFKPQGUJOFWDSQ-SSDOTTSWSA-N 0 0 305.363 1.568 10 0 DCAERN CN1CN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1=O ZINC000361867261 416514301 /nfs/dbraw/zinc/51/43/01/416514301.db2.gz YKWCNPSYMYBFKT-UHFFFAOYSA-N 0 0 311.407 0.180 10 0 DCAERN CNC(=O)[C@]1(C)CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)C1 ZINC000435263482 416516220 /nfs/dbraw/zinc/51/62/20/416516220.db2.gz PXKHOLXQMJOOMJ-YVEFUNNKSA-N 0 0 317.389 0.790 10 0 DCAERN COc1ccc(OC)c(C(=O)NCCn2cnccc2=O)c1 ZINC000585238168 416519656 /nfs/dbraw/zinc/51/96/56/416519656.db2.gz QSTROHIIWYRDTK-UHFFFAOYSA-N 0 0 303.318 0.691 10 0 DCAERN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCn1cnccc1=O ZINC000585237958 416519747 /nfs/dbraw/zinc/51/97/47/416519747.db2.gz ASEACBJXQDEAHG-ABAIWWIYSA-N 0 0 315.329 0.588 10 0 DCAERN COc1ccc(C(=O)NCCn2cnccc2=O)c(OC)c1 ZINC000585238219 416520378 /nfs/dbraw/zinc/52/03/78/416520378.db2.gz ULWRQVUDDXOCPO-UHFFFAOYSA-N 0 0 303.318 0.691 10 0 DCAERN Cc1noc(CN2CCN(C(=O)N[C@@H]3CCCOCC3)CC2)n1 ZINC000540712690 416591707 /nfs/dbraw/zinc/59/17/07/416591707.db2.gz HGYNNNBSONKYEU-CYBMUJFWSA-N 0 0 323.397 0.774 10 0 DCAERN COc1cc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1O ZINC000438110895 416592670 /nfs/dbraw/zinc/59/26/70/416592670.db2.gz RTUZQUXAHDERDR-LBPRGKRZSA-N 0 0 316.379 0.913 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCCc2cncn2C)c1 ZINC000541590394 416607948 /nfs/dbraw/zinc/60/79/48/416607948.db2.gz FKZDQGUELTYUDL-UHFFFAOYSA-N 0 0 322.390 0.301 10 0 DCAERN C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)C1 ZINC000365711890 416608492 /nfs/dbraw/zinc/60/84/92/416608492.db2.gz MXAASRBHLXBCDG-NEPJUHHUSA-N 0 0 313.427 0.961 10 0 DCAERN Cc1nnc(CN2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)[nH]1 ZINC000439260023 416609345 /nfs/dbraw/zinc/60/93/45/416609345.db2.gz OIVZKCNJTBGBCI-QWHCGFSZSA-N 0 0 307.398 0.308 10 0 DCAERN Cn1nc(C(=O)N2CCN3CCOC[C@H]3C2)cc1OC(F)F ZINC000364310588 416584473 /nfs/dbraw/zinc/58/44/73/416584473.db2.gz XCLJQUIZEREQAR-SECBINFHSA-N 0 0 316.308 0.178 10 0 DCAERN C/C=C\C[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OCC ZINC000440089165 416625078 /nfs/dbraw/zinc/62/50/78/416625078.db2.gz CUBXBYOEBDLEAB-MGVUPCTHSA-N 0 0 321.395 0.613 10 0 DCAERN COc1cccc(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000440513399 416638040 /nfs/dbraw/zinc/63/80/40/416638040.db2.gz MLDLVRZEBUIRHT-NSHDSACASA-N 0 0 313.379 0.119 10 0 DCAERN O=C(Nc1ccc2c(c1)CCCO2)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000441233245 416666597 /nfs/dbraw/zinc/66/65/97/416666597.db2.gz MLRSNSTVANNKNU-IPQOISQHSA-N 0 0 322.386 0.587 10 0 DCAERN COc1cccc(CCNC(=O)N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000441456644 416671311 /nfs/dbraw/zinc/67/13/11/416671311.db2.gz JJZXRBCEBSMYDY-GFCCVEGCSA-N 0 0 306.366 0.553 10 0 DCAERN CN(CCCO)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000443335708 416751135 /nfs/dbraw/zinc/75/11/35/416751135.db2.gz OZLFBKHZVMVSMB-UHFFFAOYSA-N 0 0 323.374 0.510 10 0 DCAERN Cc1ncc(NC(=O)C(=O)N2CCSC[C@H]2CCO)s1 ZINC000442087138 416686460 /nfs/dbraw/zinc/68/64/60/416686460.db2.gz YLRIBBINPWEKHN-SECBINFHSA-N 0 0 315.420 0.716 10 0 DCAERN CC(=O)N1CCN(C(=O)Nc2nnc(C3CC3)s2)[C@H](C)C1 ZINC000551043169 416694958 /nfs/dbraw/zinc/69/49/58/416694958.db2.gz NMZKQKYKUPXKDM-MRVPVSSYSA-N 0 0 309.395 1.500 10 0 DCAERN O=S(=O)(CCN1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000368825167 416695816 /nfs/dbraw/zinc/69/58/16/416695816.db2.gz NLMMCVNDHYOETR-CQSZACIVSA-N 0 0 310.419 0.477 10 0 DCAERN O=C(CN1CCN2CCOC[C@H]2C1)NCc1cccc(Cl)c1 ZINC000368821934 416696068 /nfs/dbraw/zinc/69/60/68/416696068.db2.gz JGGWOHMUQMRCPR-OAHLLOKOSA-N 0 0 323.824 0.973 10 0 DCAERN CC(=O)Nc1cccc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1C ZINC000442670181 416703944 /nfs/dbraw/zinc/70/39/44/416703944.db2.gz INLDLTXWBIIXDQ-LLVKDONJSA-N 0 0 304.350 0.836 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000442737129 416709639 /nfs/dbraw/zinc/70/96/39/416709639.db2.gz MVRFPVNAXWNAIE-GWCFXTLKSA-N 0 0 304.412 0.342 10 0 DCAERN Cc1cc(NC(=O)CC[S@@](=O)Cc2cnc(C)nc2)no1 ZINC000556785166 416716304 /nfs/dbraw/zinc/71/63/04/416716304.db2.gz USXVZTDKOPONHB-NRFANRHFSA-N 0 0 308.363 1.359 10 0 DCAERN Cc1cc(C)n2nc(NC(=O)NCc3ccn(C)n3)nc2n1 ZINC000556713792 416716450 /nfs/dbraw/zinc/71/64/50/416716450.db2.gz LDGDNPXRYHOYRD-UHFFFAOYSA-N 0 0 300.326 0.796 10 0 DCAERN COCc1cncc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)c1 ZINC000614889732 416721100 /nfs/dbraw/zinc/72/11/00/416721100.db2.gz POVGZIMEQCYBGN-OLZOCXBDSA-N 0 0 308.334 0.367 10 0 DCAERN CCO[C@H]1C[C@@](NC(=O)c2ccn(C)n2)(C(=O)OC)C1(C)C ZINC000614903918 416722247 /nfs/dbraw/zinc/72/22/47/416722247.db2.gz HYWFLAWVWWDCFP-XHDPSFHLSA-N 0 0 309.366 0.897 10 0 DCAERN CN1Cc2ccccc2[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC000369081815 416722282 /nfs/dbraw/zinc/72/22/82/416722282.db2.gz CXOUYFAVQWMIKJ-AWEZNQCLSA-N 0 0 303.362 0.148 10 0 DCAERN CCCN(CC(C)(C)O)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000443220111 416736171 /nfs/dbraw/zinc/73/61/71/416736171.db2.gz HVFIYFFZXZYKRC-TXEJJXNPSA-N 0 0 308.444 0.823 10 0 DCAERN C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000559764446 416822985 /nfs/dbraw/zinc/82/29/85/416822985.db2.gz FSVHCUOUIQGMSW-MLMJSJRWSA-N 0 0 322.390 0.498 10 0 DCAERN CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000631897291 416783520 /nfs/dbraw/zinc/78/35/20/416783520.db2.gz SNPQXMYZTZGHLW-KGLIPLIRSA-N 0 0 302.440 0.911 10 0 DCAERN CN(Cc1nnnn1C)c1nnc(-c2ccccc2F)n1C ZINC000558664580 416784229 /nfs/dbraw/zinc/78/42/29/416784229.db2.gz QZBDNDZGHFWMEE-UHFFFAOYSA-N 0 0 302.317 0.781 10 0 DCAERN CC(=O)NC(C)(C)C(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000623286087 416791891 /nfs/dbraw/zinc/79/18/91/416791891.db2.gz DLMBMRXBSDTKFJ-UHFFFAOYSA-N 0 0 303.362 0.906 10 0 DCAERN COCC1(O)CCN(C(=O)N[C@@H]2CCCc3nn(C)cc32)CC1 ZINC000558956359 416798858 /nfs/dbraw/zinc/79/88/58/416798858.db2.gz HXMBDFCPCLTGMB-CYBMUJFWSA-N 0 0 322.409 0.980 10 0 DCAERN CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000369586437 416800315 /nfs/dbraw/zinc/80/03/15/416800315.db2.gz OBDGFQUQDAAUBH-LBPRGKRZSA-N 0 0 313.361 0.924 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000632013833 416867226 /nfs/dbraw/zinc/86/72/26/416867226.db2.gz UVGLQUHVEVVYIR-DCAQKATOSA-N 0 0 308.300 0.912 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000632013836 416867507 /nfs/dbraw/zinc/86/75/07/416867507.db2.gz UVGLQUHVEVVYIR-VWYCJHECSA-N 0 0 308.300 0.912 10 0 DCAERN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ncccc1O ZINC000370057616 416875792 /nfs/dbraw/zinc/87/57/92/416875792.db2.gz YODBYUIQNPSXDA-LLVKDONJSA-N 0 0 305.334 0.297 10 0 DCAERN Cc1cc(C(=O)N2CCN([C@@H]3CCCCNC3=O)CC2)n(C)n1 ZINC000370068367 416879576 /nfs/dbraw/zinc/87/95/76/416879576.db2.gz XKXBWLZTJMNTMW-CYBMUJFWSA-N 0 0 319.409 0.155 10 0 DCAERN COCCn1cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)cn1 ZINC000519001967 416887627 /nfs/dbraw/zinc/88/76/27/416887627.db2.gz OAGKWKSWUWZUQU-UHFFFAOYSA-N 0 0 321.381 0.046 10 0 DCAERN Cc1nnc(CN2CCN(S(=O)(=O)c3ccco3)CC2)[nH]1 ZINC000445718852 416896849 /nfs/dbraw/zinc/89/68/49/416896849.db2.gz WUKBOVDMWLFSOX-UHFFFAOYSA-N 0 0 311.367 0.213 10 0 DCAERN CNS(=O)(=O)c1cccc(N2C(=O)N[C@@H](C(C)C)C2=O)c1 ZINC000445947270 416906999 /nfs/dbraw/zinc/90/69/99/416906999.db2.gz SLEJSKIYGAUQME-NSHDSACASA-N 0 0 311.363 0.676 10 0 DCAERN CNC(=O)CCN(C)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000446458054 416930614 /nfs/dbraw/zinc/93/06/14/416930614.db2.gz OJKMNEYDIIMHPS-SNVBAGLBSA-N 0 0 321.303 0.801 10 0 DCAERN COC(=O)[C@]1(NC(=O)[C@@H](C)NC(=O)c2ccccc2)CCOC1 ZINC000446636643 416935748 /nfs/dbraw/zinc/93/57/48/416935748.db2.gz GUUYBUORNOUHRH-BZNIZROVSA-N 0 0 320.345 0.253 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@@](F)(CO)C1)CS2 ZINC000376409256 417028378 /nfs/dbraw/zinc/02/83/78/417028378.db2.gz RISKLBIJMGHVJH-BPNCWPANSA-N 0 0 316.398 0.763 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)C(=O)N2CCCC2)C1 ZINC000624401586 417028747 /nfs/dbraw/zinc/02/87/47/417028747.db2.gz FEYDHDYALNROAD-CYBMUJFWSA-N 0 0 324.425 0.555 10 0 DCAERN O=C(Cc1ccccc1)N1CC[C@H](Nc2nccn3cnnc23)C1 ZINC000376484078 417030904 /nfs/dbraw/zinc/03/09/04/417030904.db2.gz ILYCMYCBPRLBSP-AWEZNQCLSA-N 0 0 322.372 1.380 10 0 DCAERN COc1ccc(F)c(NC(=O)C(=O)NC[C@@H]2COCCO2)c1 ZINC000447127238 416967527 /nfs/dbraw/zinc/96/75/27/416967527.db2.gz CCAIIZFKDLUSHD-SNVBAGLBSA-N 0 0 312.297 0.304 10 0 DCAERN CC[C@@H](C(=O)N1CCOCC1)N1C(=O)N[C@H](CC2CC2)C1=O ZINC000521959968 417033876 /nfs/dbraw/zinc/03/38/76/417033876.db2.gz MYFAOXOAMJJCKW-NEPJUHHUSA-N 0 0 309.366 0.344 10 0 DCAERN CCC1(CC)NC(=O)N(CC(=O)N(C)Cc2cnccn2)C1=O ZINC000524002981 417097509 /nfs/dbraw/zinc/09/75/09/417097509.db2.gz JRJXDXWUXNOZHT-UHFFFAOYSA-N 0 0 319.365 0.546 10 0 DCAERN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Nc3nncs3)[C@@H]2C1 ZINC000566583715 417051013 /nfs/dbraw/zinc/05/10/13/417051013.db2.gz CDHKMOUNFWCBLR-AXFHLTTASA-N 0 0 309.395 1.307 10 0 DCAERN CC(C)Cc1cc(NC(=O)[C@](C)(O)Cn2ccccc2=O)n[nH]1 ZINC000448100589 417059203 /nfs/dbraw/zinc/05/92/03/417059203.db2.gz FTCOIKVINUTZNW-MRXNPFEDSA-N 0 0 318.377 1.160 10 0 DCAERN Cn1ncc(N[C@H]2CCOC[C@@H]2O)c(Br)c1=O ZINC000624688532 417082993 /nfs/dbraw/zinc/08/29/93/417082993.db2.gz UNZZETLWQLYRFH-XPUUQOCRSA-N 0 0 304.144 0.105 10 0 DCAERN NS(=O)(=O)N1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616623431 417083171 /nfs/dbraw/zinc/08/31/71/417083171.db2.gz LLUSJQYQXRZABN-GFCCVEGCSA-N 0 0 318.420 0.866 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCN[C@H](c2ccncn2)C1 ZINC000616601927 417083531 /nfs/dbraw/zinc/08/35/31/417083531.db2.gz JPMAPSRMCUHXQF-AWEZNQCLSA-N 0 0 304.375 0.812 10 0 DCAERN O=S(=O)(c1ccccc1)N1CCO[C@H](c2cn[nH]n2)CC1 ZINC000616592468 417085381 /nfs/dbraw/zinc/08/53/81/417085381.db2.gz FLKIZPNQWOQUIE-ZDUSSCGKSA-N 0 0 308.363 0.957 10 0 DCAERN CCOC(=O)c1ccccc1[C@@H]1COCCN1S(N)(=O)=O ZINC000616642541 417087795 /nfs/dbraw/zinc/08/77/95/417087795.db2.gz AAFPLOAMZGMIJO-LBPRGKRZSA-N 0 0 314.363 0.440 10 0 DCAERN CS(=O)(=O)N1CCOCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616657062 417090250 /nfs/dbraw/zinc/09/02/50/417090250.db2.gz IGXAJAIUIMEBFJ-LBPRGKRZSA-N 0 0 319.404 0.468 10 0 DCAERN NS(=O)(=O)N1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616661968 417090495 /nfs/dbraw/zinc/09/04/95/417090495.db2.gz CDOXLDJNKFMWOT-LBPRGKRZSA-N 0 0 307.375 0.854 10 0 DCAERN NS(=O)(=O)N1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616666594 417092853 /nfs/dbraw/zinc/09/28/53/417092853.db2.gz MKTBOHASHVURCC-ZDUSSCGKSA-N 0 0 308.363 0.597 10 0 DCAERN C[C@@H]1CC[C@@H](O)CN1C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000399198488 417111331 /nfs/dbraw/zinc/11/13/31/417111331.db2.gz MNOXDMZHWRIVGM-IJLUTSLNSA-N 0 0 304.412 0.172 10 0 DCAERN CCNC(=O)NCCNC(=O)c1nscc1Br ZINC000404785429 417120483 /nfs/dbraw/zinc/12/04/83/417120483.db2.gz YDEAWKNXLHXCHV-UHFFFAOYSA-N 0 0 321.200 0.955 10 0 DCAERN NC(=O)[C@@H]1CCCN1C(=O)c1nscc1Br ZINC000404983068 417121107 /nfs/dbraw/zinc/12/11/07/417121107.db2.gz DAASYFMVGCJTLV-LURJTMIESA-N 0 0 304.169 0.996 10 0 DCAERN CC(C)N1CCC[C@H](N(C)C[C@H]2CCS(=O)(=O)C2)C1=O ZINC000407950613 417126822 /nfs/dbraw/zinc/12/68/22/417126822.db2.gz BSQCXDMTVHLETC-OLZOCXBDSA-N 0 0 302.440 0.752 10 0 DCAERN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000525381926 417136739 /nfs/dbraw/zinc/13/67/39/417136739.db2.gz FKJICERQCVFPKD-UPJWGTAASA-N 0 0 316.423 0.469 10 0 DCAERN C[S@@](=O)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000435035590 287358402 /nfs/dbraw/zinc/35/84/02/287358402.db2.gz QSYMELBBFRKRST-IVZQSRNASA-N 0 0 321.402 0.598 10 0 DCAERN CS(=O)(=O)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408047111 417138549 /nfs/dbraw/zinc/13/85/49/417138549.db2.gz ZDBGXHAFNAJFCQ-MJBXVCDLSA-N 0 0 305.440 0.673 10 0 DCAERN O=C(NCCCCn1ccnc1)N1CCN2CCOC[C@H]2C1 ZINC000568449755 417138593 /nfs/dbraw/zinc/13/85/93/417138593.db2.gz RRWCZLBSDVSIQC-CQSZACIVSA-N 0 0 307.398 0.389 10 0 DCAERN CC(=O)N1CCC(CNS(=O)(=O)[C@H]2COC(C)(C)C2)CC1 ZINC000624957148 417142338 /nfs/dbraw/zinc/14/23/38/417142338.db2.gz YIGMKXUGPPHVKP-CYBMUJFWSA-N 0 0 318.439 0.732 10 0 DCAERN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCc2cccnc21 ZINC000408439938 417160753 /nfs/dbraw/zinc/16/07/53/417160753.db2.gz WSDAGQXDBOMFJC-OLZOCXBDSA-N 0 0 323.418 0.781 10 0 DCAERN CC(C)NC(=O)CCN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000408426015 417160860 /nfs/dbraw/zinc/16/08/60/417160860.db2.gz QORHCLJJXMGBLK-OLZOCXBDSA-N 0 0 302.440 0.943 10 0 DCAERN Cc1ccn2cc(C(=O)N3CCS(=O)(=O)[C@H](C)C3)nc2c1 ZINC000408197063 417145575 /nfs/dbraw/zinc/14/55/75/417145575.db2.gz FXTIGIYIKPIRRR-LLVKDONJSA-N 0 0 307.375 0.902 10 0 DCAERN Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408203536 417146118 /nfs/dbraw/zinc/14/61/18/417146118.db2.gz DCXNAGCAJOJFTF-VHSXEESVSA-N 0 0 317.411 0.983 10 0 DCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000408183949 417146532 /nfs/dbraw/zinc/14/65/32/417146532.db2.gz VMMIJDBFKPATCQ-STQMWFEESA-N 0 0 302.440 0.895 10 0 DCAERN COC(=O)[C@H]1CCCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC000525732801 417146857 /nfs/dbraw/zinc/14/68/57/417146857.db2.gz RXOPMVDJXZWGPG-NSHDSACASA-N 0 0 310.350 0.327 10 0 DCAERN CC(C)[C@@H](C(=O)N1CCO[C@H](CO)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000408369970 417155894 /nfs/dbraw/zinc/15/58/94/417155894.db2.gz FDUOCWFGCAIFTD-XGUBFFRZSA-N 0 0 314.426 0.340 10 0 DCAERN CC(C)OC(=O)[C@@H]1CCCN1C(=O)C1(S(C)(=O)=O)CC1 ZINC000526893776 417188674 /nfs/dbraw/zinc/18/86/74/417188674.db2.gz BDXZJEUDNROFLJ-JTQLQIEISA-N 0 0 303.380 0.506 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)N2CCNC[C@H]2c2cccnc2)C1 ZINC000621851848 417323649 /nfs/dbraw/zinc/32/36/49/417323649.db2.gz DUGJFEZTRRDWCJ-CABCVRRESA-N 0 0 317.393 0.358 10 0 DCAERN COC1(C)CN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1 ZINC000570251000 417331987 /nfs/dbraw/zinc/33/19/87/417331987.db2.gz HYJDJLXOMPKUQG-CABCVRRESA-N 0 0 318.373 0.832 10 0 DCAERN CCOC(=O)CC1(S(=O)(=O)N[C@@H]2CC[C@H](OC)C2)CC1 ZINC000451449572 417348257 /nfs/dbraw/zinc/34/82/57/417348257.db2.gz HLAOHXJITDDAIY-MNOVXSKESA-N 0 0 305.396 0.959 10 0 DCAERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000643858918 417402871 /nfs/dbraw/zinc/40/28/71/417402871.db2.gz QRIBGTWNEDFEFE-MNOVXSKESA-N 0 0 321.381 0.502 10 0 DCAERN CC(C)n1ccc(NC(=O)C(=O)NCCOCC2CCC2)n1 ZINC000571828171 417452231 /nfs/dbraw/zinc/45/22/31/417452231.db2.gz GCVGVBANQZESSM-UHFFFAOYSA-N 0 0 308.382 1.335 10 0 DCAERN CC(=O)c1cn(CC(=O)N2CCOC[C@@H]2CC2CCC2)nn1 ZINC000452164019 417457783 /nfs/dbraw/zinc/45/77/83/417457783.db2.gz DFDWJMGTPQQHHN-ZDUSSCGKSA-N 0 0 306.366 0.898 10 0 DCAERN CNS(=O)(=O)c1cccc(C(=O)NCC[C@H](C)CCO)c1 ZINC000452250270 417461848 /nfs/dbraw/zinc/46/18/48/417461848.db2.gz UEGAOWJPXOHTRJ-NSHDSACASA-N 0 0 314.407 0.733 10 0 DCAERN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)F ZINC000633718437 417485455 /nfs/dbraw/zinc/48/54/55/417485455.db2.gz FCRMSCGMUNMJDC-UHFFFAOYSA-N 0 0 303.378 0.660 10 0 DCAERN Nc1nc(Cn2nncc2I)cs1 ZINC000575524855 417539473 /nfs/dbraw/zinc/53/94/73/417539473.db2.gz VWJQNTGKCJOJKV-UHFFFAOYSA-N 0 0 307.120 0.970 10 0 DCAERN O=C1CC(=O)[C@H](c2ncc(I)s2)N1 ZINC000575515639 417540148 /nfs/dbraw/zinc/54/01/48/417540148.db2.gz RQACQWWHXXALJC-ZCFIWIBFSA-N 0 0 308.100 0.878 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)Nc2cnn(CC)c2)CC12COC2 ZINC000454263712 417553841 /nfs/dbraw/zinc/55/38/41/417553841.db2.gz KZBNWUPNAXHAST-GFCCVEGCSA-N 0 0 322.365 0.946 10 0 DCAERN CCOC(=O)[C@H]1CN(C(=O)NC[C@H]2CCOC2)CC12COC2 ZINC000454396267 417558495 /nfs/dbraw/zinc/55/84/95/417558495.db2.gz TWSRAXYODIAJPG-VXGBXAGGSA-N 0 0 312.366 0.244 10 0 DCAERN CC(=O)N(C)c1ccc(C(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 ZINC000529770861 417502543 /nfs/dbraw/zinc/50/25/43/417502543.db2.gz PKIAFZLMWYEBMI-HUUCEWRRSA-N 0 0 306.362 0.939 10 0 DCAERN CC(=O)c1ncc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)s1 ZINC000633886300 417512107 /nfs/dbraw/zinc/51/21/07/417512107.db2.gz XZNCSQWBVHFKQN-OKILXGFUSA-N 0 0 321.358 0.471 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000453732921 417528755 /nfs/dbraw/zinc/52/87/55/417528755.db2.gz IOUDFMFMQJXNLA-CMPLNLGQSA-N 0 0 303.362 0.738 10 0 DCAERN CC(=O)N1CC[C@@H](NC(=O)c2cncc(N3CCCC3=O)c2)C1 ZINC000628195539 417589220 /nfs/dbraw/zinc/58/92/20/417589220.db2.gz AYUYXNVKVTYZOX-CYBMUJFWSA-N 0 0 316.361 0.559 10 0 DCAERN CC(=O)N1CC[C@](C)(C(=O)NCC2(O)Cc3ccccc3C2)C1 ZINC000530850376 417590964 /nfs/dbraw/zinc/59/09/64/417590964.db2.gz LPAWPFVSHPLNBU-KRWDZBQOSA-N 0 0 316.401 0.891 10 0 DCAERN Cc1ncc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c(N)n1 ZINC000576304687 417599268 /nfs/dbraw/zinc/59/92/68/417599268.db2.gz YKMIDJQBIRDVCZ-SECBINFHSA-N 0 0 314.271 1.134 10 0 DCAERN COCC(COC)NC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000455396393 417602034 /nfs/dbraw/zinc/60/20/34/417602034.db2.gz AGEHVEVFSYVLQO-AWEZNQCLSA-N 0 0 321.377 0.753 10 0 DCAERN O=C(CN1CCCC[C@@H](O)C1=O)NCc1ccc2c(c1)COC2 ZINC000644401529 417566134 /nfs/dbraw/zinc/56/61/34/417566134.db2.gz TZQXFUZICNXNAP-OAHLLOKOSA-N 0 0 318.373 0.706 10 0 DCAERN Cc1nnc2n1C[C@@H](C(=O)N1CCOC3(CCC3)C1)N(C)C2 ZINC000644407372 417569443 /nfs/dbraw/zinc/56/94/43/417569443.db2.gz JYWUDJMATOVUFM-LBPRGKRZSA-N 0 0 305.382 0.182 10 0 DCAERN CC(=O)N1CCC[C@H](CNS(=O)(=O)N2CCC[C@@H]2C)C1 ZINC000530433369 417574378 /nfs/dbraw/zinc/57/43/78/417574378.db2.gz TXNYVQWCXPQWDB-WCQYABFASA-N 0 0 303.428 0.564 10 0 DCAERN O=C(NC[C@@H]1CCOC1)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000439757350 287388984 /nfs/dbraw/zinc/38/89/84/287388984.db2.gz GJIANTSTXJWDOL-NSHDSACASA-N 0 0 317.345 0.515 10 0 DCAERN CS(=O)(=O)CC1(CNC(=O)c2cn3cccnc3n2)CC1 ZINC000531460553 417624351 /nfs/dbraw/zinc/62/43/51/417624351.db2.gz IFDJPRZODYXEKY-UHFFFAOYSA-N 0 0 308.363 0.284 10 0 DCAERN CCNC(=O)N1CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000531610947 417629483 /nfs/dbraw/zinc/62/94/83/417629483.db2.gz NTZHXSOZJLRUPC-CMPLNLGQSA-N 0 0 318.443 0.355 10 0 DCAERN CCNC(=O)N1CC[C@H](NC(=O)NCCCCn2ccnc2)C1 ZINC000531860959 417644452 /nfs/dbraw/zinc/64/44/52/417644452.db2.gz TZGOYFZDGNXWOW-ZDUSSCGKSA-N 0 0 322.413 0.766 10 0 DCAERN O=C(CCCN1C(=O)CCC1=O)NC[C@@H](CO)c1ccccc1 ZINC000532030492 417652530 /nfs/dbraw/zinc/65/25/30/417652530.db2.gz SANMLBCJGHMAMY-AWEZNQCLSA-N 0 0 318.373 0.808 10 0 DCAERN CC(=O)c1cccc(OCC(=O)NC[C@H](O)[C@@H]2CCCO2)c1 ZINC000628592404 417663567 /nfs/dbraw/zinc/66/35/67/417663567.db2.gz SBKFOFBDAJYNEB-GJZGRUSLSA-N 0 0 307.346 0.924 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)Cc2csc3nccn23)C1 ZINC000532222251 417667832 /nfs/dbraw/zinc/66/78/32/417667832.db2.gz GKJXQAOBRMDXMM-SNVBAGLBSA-N 0 0 321.406 0.858 10 0 DCAERN CSc1ncc(Cl)c(C(=O)N[C@@H]2CCOC[C@@H]2O)n1 ZINC000629224889 417761462 /nfs/dbraw/zinc/76/14/62/417761462.db2.gz NFDYQSWZBGEOFG-SFYZADRCSA-N 0 0 303.771 0.732 10 0 DCAERN CC(=O)N1CCc2cc(C(=O)N[C@H]3COCCC3=O)ccc21 ZINC000628871109 417707583 /nfs/dbraw/zinc/70/75/83/417707583.db2.gz WLOOXIZFLOUPFI-ZDUSSCGKSA-N 0 0 302.330 0.683 10 0 DCAERN CC(=O)c1cc(C(=O)NC[C@@H]2COCCN2C)c(C)nc1C ZINC000628914096 417718713 /nfs/dbraw/zinc/71/87/13/417718713.db2.gz GLLWSXZQGDELGW-CYBMUJFWSA-N 0 0 305.378 0.961 10 0 DCAERN O=C(CSc1ccc(F)cc1)NC[C@H](O)Cn1ccnn1 ZINC000458124495 417723486 /nfs/dbraw/zinc/72/34/86/417723486.db2.gz JWLDZPXLRFRTKJ-NSHDSACASA-N 0 0 310.354 0.687 10 0 DCAERN Cc1cccc(C2(C(=O)NC[C@@H](O)Cn3ccnn3)CC2)c1 ZINC000458125477 417724144 /nfs/dbraw/zinc/72/41/44/417724144.db2.gz BLHUEOWSYLOUHW-CQSZACIVSA-N 0 0 300.362 0.795 10 0 DCAERN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)O1 ZINC000628991361 417737872 /nfs/dbraw/zinc/73/78/72/417737872.db2.gz VQVRYNNNHJPJJW-RAIGVLPGSA-N 0 0 306.366 0.565 10 0 DCAERN CN(C)C(=O)N1CCC(C(=O)N2C[C@@H](F)C[C@@H]2CO)CC1 ZINC000444549474 287427568 /nfs/dbraw/zinc/42/75/68/287427568.db2.gz MGTUCEWUNBYOIZ-NWDGAFQWSA-N 0 0 301.362 0.311 10 0 DCAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000660012567 418217803 /nfs/dbraw/zinc/21/78/03/418217803.db2.gz MPRVUTJXDWSPKQ-RQJABVFESA-N 0 0 303.424 0.425 10 0 DCAERN C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)CCS1(=O)=O ZINC000127467145 296932473 /nfs/dbraw/zinc/93/24/73/296932473.db2.gz OZGRFZDLMNJNHN-SNVBAGLBSA-N 0 0 313.423 0.977 10 0 DCAERN CCOC(=O)CN(C(=O)Cn1cc(C(C)=O)nn1)C1CCC1 ZINC000450920721 287453957 /nfs/dbraw/zinc/45/39/57/287453957.db2.gz AGSPWPYQJKTINT-UHFFFAOYSA-N 0 0 308.338 0.425 10 0 DCAERN CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000202357238 545935827 /nfs/dbraw/zinc/93/58/27/545935827.db2.gz DOFAQXCYFQKSHT-WOPDTQHZSA-N 0 0 311.382 0.036 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ncccc1CC ZINC000488268478 287548108 /nfs/dbraw/zinc/54/81/08/287548108.db2.gz XCEZORRCOQQBGQ-GHMZBOCLSA-N 0 0 321.377 0.830 10 0 DCAERN NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299746241 229390074 /nfs/dbraw/zinc/39/00/74/229390074.db2.gz VZYXVWBZXJEOON-MNOVXSKESA-N 0 0 308.309 0.425 10 0 DCAERN O=S1(=O)CCN(CCCNc2ccc3nccnc3n2)CC1 ZINC000301983067 230017316 /nfs/dbraw/zinc/01/73/16/230017316.db2.gz BQNRXLSSXMPSSD-UHFFFAOYSA-N 0 0 321.406 0.557 10 0 DCAERN CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cn1ccnc1 ZINC000027969874 261103690 /nfs/dbraw/zinc/10/36/90/261103690.db2.gz CHZGDKCFUDARPB-UHFFFAOYSA-N 0 0 322.390 0.450 10 0 DCAERN CCC1(CC)CN(C(=O)[C@H]2CN(C)CCO2)CC[S@@]1=O ZINC000183850652 261117151 /nfs/dbraw/zinc/11/71/51/261117151.db2.gz ABYIHVILFWIBNC-ODXCJYRJSA-N 0 0 302.440 0.467 10 0 DCAERN CO[C@@H]1CN(C(=O)CSc2nnnn2C2CC2)CC[C@@H]1C ZINC000188002026 261125639 /nfs/dbraw/zinc/12/56/39/261125639.db2.gz PSYYDIJMGVVBST-GXSJLCMTSA-N 0 0 311.411 0.984 10 0 DCAERN Cc1ccccc1C[C@@H](CO)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000188045220 261126033 /nfs/dbraw/zinc/12/60/33/261126033.db2.gz HMPUMYXIMNQXIO-HOTGVXAUSA-N 0 0 321.421 0.528 10 0 DCAERN CC(=O)N[C@H](CC(=O)N1CCN(C)C(=O)[C@@H]1C)c1ccccc1 ZINC000188393667 261126802 /nfs/dbraw/zinc/12/68/02/261126802.db2.gz LLWGXDCFRGZQEB-SWLSCSKDSA-N 0 0 317.389 0.943 10 0 DCAERN CC(=O)NC1CN(C(=O)CCNC(=O)Cc2ccccc2)C1 ZINC000190510066 261134743 /nfs/dbraw/zinc/13/47/43/261134743.db2.gz DYMGSKHPDKXDLR-UHFFFAOYSA-N 0 0 303.362 0.082 10 0 DCAERN Cc1ccc(C[C@H](CO)NC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000190978571 261136371 /nfs/dbraw/zinc/13/63/71/261136371.db2.gz PDNNQRQKXCJDFD-CQSZACIVSA-N 0 0 315.373 0.766 10 0 DCAERN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000192941714 261139585 /nfs/dbraw/zinc/13/95/85/261139585.db2.gz YDNAIRQBITYDTC-SECBINFHSA-N 0 0 323.374 0.656 10 0 DCAERN COc1cccc(C)c1NC(=O)C(=O)NCc1ccnn1C ZINC000192941179 261139766 /nfs/dbraw/zinc/13/97/66/261139766.db2.gz HLRWGBPNDGSBJK-UHFFFAOYSA-N 0 0 302.334 0.992 10 0 DCAERN Cc1nn(C)c(C)c1CCNC(=O)NCCC(=O)NC(C)C ZINC000193162423 261140376 /nfs/dbraw/zinc/14/03/76/261140376.db2.gz VQMOKGAUBKEBJB-UHFFFAOYSA-N 0 0 309.414 0.793 10 0 DCAERN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CNC(=O)C1 ZINC000194878978 261149609 /nfs/dbraw/zinc/14/96/09/261149609.db2.gz DDIFCVXFAWOVDQ-KGLIPLIRSA-N 0 0 315.373 0.602 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1C(N)=O ZINC000221264375 261152640 /nfs/dbraw/zinc/15/26/40/261152640.db2.gz ZGMWMSGLFCJGGJ-MFKMUULPSA-N 0 0 312.391 0.485 10 0 DCAERN C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCN1CCO ZINC000250080163 261166556 /nfs/dbraw/zinc/16/65/56/261166556.db2.gz OZPWNMZQWXQUOM-ZIAGYGMSSA-N 0 0 300.399 0.097 10 0 DCAERN CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc2c(c1)OCO2 ZINC000354206740 261189966 /nfs/dbraw/zinc/18/99/66/261189966.db2.gz UQVZRURBIMXCJC-JTQLQIEISA-N 0 0 311.359 0.922 10 0 DCAERN CCNC(=O)[C@H](NC(=O)[C@H]1CCO[C@@H]1c1ccnn1C)C(C)C ZINC000354229935 261193853 /nfs/dbraw/zinc/19/38/53/261193853.db2.gz GTIADXYSAHAPGG-YUTCNCBUSA-N 0 0 322.409 0.775 10 0 DCAERN CO[C@@H]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1 ZINC000354892589 261283037 /nfs/dbraw/zinc/28/30/37/261283037.db2.gz FCYJNFFWTSVFAF-KBMXLJTQSA-N 0 0 318.373 0.832 10 0 DCAERN CN(C)S(=O)(=O)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000355680453 261356466 /nfs/dbraw/zinc/35/64/66/261356466.db2.gz IDFNMFVMGHPSKE-UHFFFAOYSA-N 0 0 300.424 0.819 10 0 DCAERN CC(=O)N1CCN(C(=O)NCCN(C)CC(F)(F)F)[C@@H](C)C1 ZINC000357761244 261582470 /nfs/dbraw/zinc/58/24/70/261582470.db2.gz VFSKZRCAHPFPJM-JTQLQIEISA-N 0 0 324.347 0.743 10 0 DCAERN CO[C@@H]1CC[C@@H](NC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000358110609 261632482 /nfs/dbraw/zinc/63/24/82/261632482.db2.gz SOYXDBOWSWXKNV-WRWGMCAJSA-N 0 0 304.412 0.771 10 0 DCAERN CC(C)OCc1ccc(CNC(=O)CN2CC(=O)N(C)C2)cc1 ZINC000360470497 261835285 /nfs/dbraw/zinc/83/52/85/261835285.db2.gz UTZNBWFJEDRJRF-UHFFFAOYSA-N 0 0 319.405 0.959 10 0 DCAERN CC(C)OCc1ccccc1CNC(=O)CN1CC(=O)N(C)C1 ZINC000360471554 261835429 /nfs/dbraw/zinc/83/54/29/261835429.db2.gz BPWGNIQCODQXFR-UHFFFAOYSA-N 0 0 319.405 0.959 10 0 DCAERN COCCCC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000360804923 261877856 /nfs/dbraw/zinc/87/78/56/261877856.db2.gz IMAILSCFLQPFIP-LBPRGKRZSA-N 0 0 318.439 0.733 10 0 DCAERN CN1CCC[C@@H](NC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)C1=O ZINC000361195792 261904429 /nfs/dbraw/zinc/90/44/29/261904429.db2.gz NKRFXZANGHWJTM-SKDRFNHKSA-N 0 0 323.315 0.706 10 0 DCAERN COC[C@](C)(NC(=O)CN1CCC(=O)NC1=O)C(F)(F)F ZINC000362202650 262009145 /nfs/dbraw/zinc/00/91/45/262009145.db2.gz IIWBCMHXPIDZCR-JTQLQIEISA-N 0 0 311.260 0.012 10 0 DCAERN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCOCC[C@@H]1C ZINC000362234708 262013390 /nfs/dbraw/zinc/01/33/90/262013390.db2.gz IPLZXCKGFCPPHH-QWHCGFSZSA-N 0 0 300.399 0.801 10 0 DCAERN COCCCOCC(=O)NC(C)(C)c1cc(C(=O)OC)on1 ZINC000362311897 262021027 /nfs/dbraw/zinc/02/10/27/262021027.db2.gz HCDPGCROYLWBAY-UHFFFAOYSA-N 0 0 314.338 0.866 10 0 DCAERN COc1ccc2c(c1)ncc(C(=O)N[C@H](C)C(=O)N(C)C)c2O ZINC000362383316 262028876 /nfs/dbraw/zinc/02/88/76/262028876.db2.gz MMWFXNFYYOSYBF-SECBINFHSA-N 0 0 317.345 0.743 10 0 DCAERN C[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000362397197 262029921 /nfs/dbraw/zinc/02/99/21/262029921.db2.gz RBNLEVITXAJUPV-QWRGUYRKSA-N 0 0 309.366 0.535 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC(F)(F)F ZINC000362470790 262038754 /nfs/dbraw/zinc/03/87/54/262038754.db2.gz ZACOTWVYXJVWRU-BQBZGAKWSA-N 0 0 313.276 0.304 10 0 DCAERN C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000362474186 262038873 /nfs/dbraw/zinc/03/88/73/262038873.db2.gz RDQUMNITPGQPCT-IUCAKERBSA-N 0 0 303.318 0.805 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1 ZINC000362465326 262038925 /nfs/dbraw/zinc/03/89/25/262038925.db2.gz NFMDZEOTMQXJKE-VXGBXAGGSA-N 0 0 321.377 0.942 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCN(C(=O)N2CCc3ccccc32)C1 ZINC000362782947 262072159 /nfs/dbraw/zinc/07/21/59/262072159.db2.gz YBYWFLPVLQDSCY-GFCCVEGCSA-N 0 0 309.391 0.793 10 0 DCAERN CN1C[C@H](NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CCC1=O ZINC000362911846 262086191 /nfs/dbraw/zinc/08/61/91/262086191.db2.gz VJPNKACYALXIKT-ISTVAULSSA-N 0 0 311.407 0.177 10 0 DCAERN COC[C@H](O)CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000363128591 262100381 /nfs/dbraw/zinc/10/03/81/262100381.db2.gz SKJJGQFPQJBGJI-CQSZACIVSA-N 0 0 302.378 0.692 10 0 DCAERN CSCCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363308975 262111647 /nfs/dbraw/zinc/11/16/47/262111647.db2.gz LRNJKPWFZLEEJK-GFCCVEGCSA-N 0 0 315.439 0.819 10 0 DCAERN CC(C)N1CC[C@H](NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000363359434 262112357 /nfs/dbraw/zinc/11/23/57/262112357.db2.gz TYHWHKLNNDXFSS-NEPJUHHUSA-N 0 0 320.397 0.703 10 0 DCAERN NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)nc1 ZINC000363500771 262117606 /nfs/dbraw/zinc/11/76/06/262117606.db2.gz VDAYNBZBAYGOGU-AWEZNQCLSA-N 0 0 324.340 0.716 10 0 DCAERN COCC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363661833 262125315 /nfs/dbraw/zinc/12/53/15/262125315.db2.gz TVRVPVKMQVYANY-GFCCVEGCSA-N 0 0 312.391 0.602 10 0 DCAERN Cc1ccc(F)c(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363791994 262130392 /nfs/dbraw/zinc/13/03/92/262130392.db2.gz HFRCPJKERSUJIY-GFCCVEGCSA-N 0 0 321.352 0.616 10 0 DCAERN Cc1ccc(C)c(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000363794415 262130452 /nfs/dbraw/zinc/13/04/52/262130452.db2.gz LEDRGPGCBIZLBI-AWEZNQCLSA-N 0 0 317.389 0.785 10 0 DCAERN CN(Cc1ccc(F)cc1)C(=O)CN1CCN2CCOC[C@@H]2C1 ZINC000363796474 262131132 /nfs/dbraw/zinc/13/11/32/262131132.db2.gz RJLAUIYIJZQROJ-INIZCTEOSA-N 0 0 321.396 0.801 10 0 DCAERN NC(=O)Nc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000363860838 262134991 /nfs/dbraw/zinc/13/49/91/262134991.db2.gz VQFBCPCXYOAWKY-CYBMUJFWSA-N 0 0 304.350 0.334 10 0 DCAERN C[C@H]1CCOCCN1C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000363907924 262135899 /nfs/dbraw/zinc/13/58/99/262135899.db2.gz DBYGVOCDTHCEOO-JTQLQIEISA-N 0 0 306.366 0.485 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)cc1F ZINC000364001365 262139533 /nfs/dbraw/zinc/13/95/33/262139533.db2.gz QDCYLFOWQISSBP-GFCCVEGCSA-N 0 0 314.382 0.839 10 0 DCAERN NC(=O)c1cccnc1N1CCCN([C@@H]2CCOC2=O)CC1 ZINC000370796269 262151220 /nfs/dbraw/zinc/15/12/20/262151220.db2.gz QHCRXOGVIDQASI-GFCCVEGCSA-N 0 0 304.350 0.008 10 0 DCAERN O=S(=O)(Cc1ccccc1F)N1CCC[C@@](O)(CO)C1 ZINC000396487585 262163615 /nfs/dbraw/zinc/16/36/15/262163615.db2.gz JDEZLWGWHCIWLP-ZDUSSCGKSA-N 0 0 303.355 0.475 10 0 DCAERN CC(=O)c1ccc(C(=O)N2CCN3C(=O)N=NC3C2)cc1O ZINC000412257316 262184352 /nfs/dbraw/zinc/18/43/52/262184352.db2.gz WSSNTCVUMGWHRL-UHFFFAOYSA-N 0 0 302.290 0.548 10 0 DCAERN c1nc(NCCc2nnc3n2CCC3)cc(N2CCOCC2)n1 ZINC000433607842 262660345 /nfs/dbraw/zinc/66/03/45/262660345.db2.gz LMEHGVXQNCBQQD-UHFFFAOYSA-N 0 0 315.381 0.506 10 0 DCAERN NS(=O)(=O)CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000357054920 271040251 /nfs/dbraw/zinc/04/02/51/271040251.db2.gz QOFOFQKWZDTARY-KOLCDFICSA-N 0 0 318.345 0.863 10 0 DCAERN O=C(CCn1nnc2ccccc2c1=O)NC[C@H](CO)C1CC1 ZINC000358318985 271048938 /nfs/dbraw/zinc/04/89/38/271048938.db2.gz NCKLERKCNDPWKP-GFCCVEGCSA-N 0 0 316.361 0.316 10 0 DCAERN O=C(NCc1ccc2cc[nH]c2n1)N[C@H]1CCCS(=O)(=O)C1 ZINC000359012765 271089979 /nfs/dbraw/zinc/08/99/79/271089979.db2.gz YFTKVUXRLJPHQJ-LBPRGKRZSA-N 0 0 322.390 0.939 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000359033861 271093016 /nfs/dbraw/zinc/09/30/16/271093016.db2.gz SWHULGOGXHONAU-GFCCVEGCSA-N 0 0 321.352 0.616 10 0 DCAERN Cc1cccc(F)c1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000359033862 271093676 /nfs/dbraw/zinc/09/36/76/271093676.db2.gz SWHULGOGXHONAU-LBPRGKRZSA-N 0 0 321.352 0.616 10 0 DCAERN COCCCN(C(=O)NC[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000359118959 271096745 /nfs/dbraw/zinc/09/67/45/271096745.db2.gz VRUADQRSJXGCMA-AGIUHOORSA-N 0 0 318.439 0.878 10 0 DCAERN COCCN(C(=O)NC[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000359116885 271096806 /nfs/dbraw/zinc/09/68/06/271096806.db2.gz IIGGOROCUFCJNP-WOPDTQHZSA-N 0 0 304.412 0.488 10 0 DCAERN O=C(NCCc1cn[nH]c1)NCc1nc(C(F)(F)F)n[nH]1 ZINC000359138757 271098945 /nfs/dbraw/zinc/09/89/45/271098945.db2.gz BUWANTXUXXXFGP-UHFFFAOYSA-N 0 0 303.248 0.589 10 0 DCAERN C[C@H](CNC(=O)CCOc1ccc(F)cc1)S(N)(=O)=O ZINC000359558249 271124610 /nfs/dbraw/zinc/12/46/10/271124610.db2.gz AGZOZYOIMVOQHI-SECBINFHSA-N 0 0 304.343 0.388 10 0 DCAERN CCCS(=O)(=O)NC1CCN([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359603528 271131345 /nfs/dbraw/zinc/13/13/45/271131345.db2.gz VRSQEBBYVDRAAQ-CYBMUJFWSA-N 0 0 318.439 0.732 10 0 DCAERN COc1ncc(C)cc1NC(=O)N1CCN2CCOC[C@H]2C1 ZINC000359959170 271151316 /nfs/dbraw/zinc/15/13/16/271151316.db2.gz LSCLAXPZZPOBGH-GFCCVEGCSA-N 0 0 306.366 0.947 10 0 DCAERN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000360900867 271163288 /nfs/dbraw/zinc/16/32/88/271163288.db2.gz BXILOXFNLUSWCA-XJFOESAGSA-N 0 0 312.410 0.537 10 0 DCAERN O=C(NCCNC(=O)N1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000361039376 271171980 /nfs/dbraw/zinc/17/19/80/271171980.db2.gz SFHAUHRQMYTLEV-LBPRGKRZSA-N 0 0 323.315 0.611 10 0 DCAERN CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2nc(Cl)cs2)C1 ZINC000363774177 271205179 /nfs/dbraw/zinc/20/51/79/271205179.db2.gz DHLJBNBYHLXRSS-SSDOTTSWSA-N 0 0 323.827 0.950 10 0 DCAERN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434825435 271545126 /nfs/dbraw/zinc/54/51/26/271545126.db2.gz IURGYCFLZUNUGS-SFYZADRCSA-N 0 0 324.406 0.587 10 0 DCAERN COC[C@H](NC(=O)N1CCN(C(C)=O)C[C@H]1C)[C@H]1CCCO1 ZINC000434861647 271546470 /nfs/dbraw/zinc/54/64/70/271546470.db2.gz NZAWAOPPPPPADD-KWCYVHTRSA-N 0 0 313.398 0.443 10 0 DCAERN COc1c(F)cc(F)cc1NC(=O)C(=O)N(C)CCCO ZINC000443270030 271705541 /nfs/dbraw/zinc/70/55/41/271705541.db2.gz MVZFAFCJQDDMIF-UHFFFAOYSA-N 0 0 302.277 0.753 10 0 DCAERN CCc1nc(C(C)(C)NC(=O)[C@@H]2CCCN(C(N)=O)C2)no1 ZINC000443354220 271709060 /nfs/dbraw/zinc/70/90/60/271709060.db2.gz WGWUIAOYBIVKDP-SECBINFHSA-N 0 0 309.370 0.774 10 0 DCAERN C[C@H](CC(N)=O)NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000446531168 271761913 /nfs/dbraw/zinc/76/19/13/271761913.db2.gz KQMRNHGNPDYZHX-MUWHJKNJSA-N 0 0 307.276 0.587 10 0 DCAERN CCOC(=O)[C@@H]1CN(c2ccnc3c2cnn3C)CC12COC2 ZINC000450557907 271875153 /nfs/dbraw/zinc/87/51/53/271875153.db2.gz BZEZYFPWHPSLBL-LBPRGKRZSA-N 0 0 316.361 0.984 10 0 DCAERN O=C(CCCOc1ccccc1)NC[C@@H](O)Cn1ccnn1 ZINC000458122995 271942920 /nfs/dbraw/zinc/94/29/20/271942920.db2.gz IBVCMJXTAOWMJY-CYBMUJFWSA-N 0 0 304.350 0.614 10 0 DCAERN CC(C)Oc1ccccc1C(=O)NC[C@@H](O)Cn1ccnn1 ZINC000458139669 271943416 /nfs/dbraw/zinc/94/34/16/271943416.db2.gz MYOLGLGHLXBMAA-GFCCVEGCSA-N 0 0 304.350 0.856 10 0 DCAERN CC(C)(C(=O)NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1 ZINC000458126297 271943912 /nfs/dbraw/zinc/94/39/12/271943912.db2.gz BYRPDUYLVAOTMP-CYBMUJFWSA-N 0 0 306.341 0.872 10 0 DCAERN Cc1cc(C)cc(CCNC(=O)NC[C@@H](O)Cn2ccnn2)c1 ZINC000458434183 271958198 /nfs/dbraw/zinc/95/81/98/271958198.db2.gz CSOIRRNBNZNGLS-OAHLLOKOSA-N 0 0 317.393 0.798 10 0 DCAERN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2C)C1 ZINC000459840985 272015805 /nfs/dbraw/zinc/01/58/05/272015805.db2.gz YLNFWGQTYQEUGV-STQMWFEESA-N 0 0 309.410 0.905 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(C)n1 ZINC000487104259 272037983 /nfs/dbraw/zinc/03/79/83/272037983.db2.gz POYGCWLZZHECEN-GHMZBOCLSA-N 0 0 307.350 0.576 10 0 DCAERN CC(C)CN1CCN(C(=O)NCc2ccn(C)n2)[C@@H](C)C1=O ZINC000488484348 272045637 /nfs/dbraw/zinc/04/56/37/272045637.db2.gz URDOQICJDZYPND-LBPRGKRZSA-N 0 0 307.398 0.818 10 0 DCAERN CCNC(=O)[C@@H](C)NC(=O)NCCCc1nnc2ccccn21 ZINC000489263972 272059250 /nfs/dbraw/zinc/05/92/50/272059250.db2.gz LOBCRVHOEWZLCJ-LLVKDONJSA-N 0 0 318.381 0.486 10 0 DCAERN COC(=O)C(C)(C)N1CCN(c2nc3n[nH]cc3c(=O)[nH]2)CC1 ZINC000489973102 272068331 /nfs/dbraw/zinc/06/83/31/272068331.db2.gz PWLGHUYUEDXVKV-UHFFFAOYSA-N 0 0 320.353 0.132 10 0 DCAERN COCCN1CCN(C(=O)/C=C\c2cncc(O)c2)C[C@@H]1C ZINC000492447951 272130426 /nfs/dbraw/zinc/13/04/26/272130426.db2.gz WHCHAGHULATBNG-SCOBNMCVSA-N 0 0 305.378 0.980 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000493391715 272185598 /nfs/dbraw/zinc/18/55/98/272185598.db2.gz WPVLNKYJUZDLJS-WDEREUQCSA-N 0 0 321.377 0.741 10 0 DCAERN CC(=O)N(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)CCO ZINC000493605619 272199186 /nfs/dbraw/zinc/19/91/86/272199186.db2.gz NKIZVAGTGLLSME-JTQLQIEISA-N 0 0 307.350 0.495 10 0 DCAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000494332540 272218621 /nfs/dbraw/zinc/21/86/21/272218621.db2.gz SSSFNUIBYBGPCN-JTQLQIEISA-N 0 0 308.400 0.273 10 0 DCAERN C[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1nncn1C ZINC000494789721 272231628 /nfs/dbraw/zinc/23/16/28/272231628.db2.gz DRIQRBDLKDZIQB-VIFPVBQESA-N 0 0 303.322 0.833 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H](C)CCOC ZINC000494877151 272233481 /nfs/dbraw/zinc/23/34/81/272233481.db2.gz JHCUACMAWQVEIZ-MXWKQRLJSA-N 0 0 317.386 0.167 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H](CC)COC ZINC000495179366 272240917 /nfs/dbraw/zinc/24/09/17/272240917.db2.gz BONNVCIYWDEAJK-VWYCJHECSA-N 0 0 317.386 0.167 10 0 DCAERN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](C)COC ZINC000495185986 272240987 /nfs/dbraw/zinc/24/09/87/272240987.db2.gz ATTCZJYVQUPCSW-DCAQKATOSA-N 0 0 317.386 0.024 10 0 DCAERN CCOCCCNC(=O)[C@@H](C)[S@](=O)Cc1cnc(C)nc1 ZINC000505726442 272393341 /nfs/dbraw/zinc/39/33/41/272393341.db2.gz LGSZKFZDXVAQMZ-WSVYEEACSA-N 0 0 313.423 0.965 10 0 DCAERN Cc1ncc(C[S@@](=O)CCCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000505735019 272393410 /nfs/dbraw/zinc/39/34/10/272393410.db2.gz ZGLLFSCHNZCBHD-QFIPXVFZSA-N 0 0 324.406 0.754 10 0 DCAERN Cc1cc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)n(C)n1 ZINC000514743664 272406030 /nfs/dbraw/zinc/40/60/30/272406030.db2.gz CNOIEXJXOQXYND-GFCCVEGCSA-N 0 0 303.370 0.963 10 0 DCAERN CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000526962341 272595461 /nfs/dbraw/zinc/59/54/61/272595461.db2.gz GXLKTPMWWYWWIM-DTWKUNHWSA-N 0 0 322.408 0.036 10 0 DCAERN C[C@H](CNC(=O)C1(C(=O)NC2CC2)CCC1)N1CCCCC1=O ZINC000527009234 272597712 /nfs/dbraw/zinc/59/77/12/272597712.db2.gz GQYHUNFNSNIRKS-GFCCVEGCSA-N 0 0 321.421 0.953 10 0 DCAERN CCNC(=O)N1CC[C@@H](NC(=O)N(C)Cc2cnn(CC)c2)C1 ZINC000531884763 272772929 /nfs/dbraw/zinc/77/29/29/272772929.db2.gz MJLTUMWKDXAABZ-CYBMUJFWSA-N 0 0 322.413 0.848 10 0 DCAERN COC(=O)CCNC(=O)CN1CCC[C@H]1C(=O)OC(C)C ZINC000532705668 272792651 /nfs/dbraw/zinc/79/26/51/272792651.db2.gz ILLHUDVIFKVLNX-NSHDSACASA-N 0 0 300.355 0.082 10 0 DCAERN COc1n[nH]c(NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)n1 ZINC000182990472 274168673 /nfs/dbraw/zinc/16/86/73/274168673.db2.gz QDIVXFQLRSKJPT-LBPRGKRZSA-N 0 0 315.333 0.725 10 0 DCAERN NC(=O)N[C@@H]1CCN(C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000534260523 287807120 /nfs/dbraw/zinc/80/71/20/287807120.db2.gz HBWFSKPLKDFMNJ-LLVKDONJSA-N 0 0 300.322 0.150 10 0 DCAERN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000534264473 287807582 /nfs/dbraw/zinc/80/75/82/287807582.db2.gz OTSSZTVZICLUAZ-NEPJUHHUSA-N 0 0 322.409 0.437 10 0 DCAERN O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cn2cccnc2n1 ZINC000541170028 287917054 /nfs/dbraw/zinc/91/70/54/287917054.db2.gz FXIDUIGQJNYNGO-ZDUSSCGKSA-N 0 0 307.313 0.875 10 0 DCAERN CC(=O)N[C@H]1CCCN(c2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000407985618 277058736 /nfs/dbraw/zinc/05/87/36/277058736.db2.gz PDGKNHZIDNJTIC-VIFPVBQESA-N 0 0 318.424 0.204 10 0 DCAERN COC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C[C@H]1C ZINC000407957255 277145268 /nfs/dbraw/zinc/14/52/68/277145268.db2.gz YMRCTSIJERYZOE-UYUMYWFVSA-N 0 0 311.382 0.494 10 0 DCAERN COCC(=O)N1CC[C@]2(C1)c1cc(OC)ccc1N(C)C2=O ZINC000065249333 277195604 /nfs/dbraw/zinc/19/56/04/277195604.db2.gz OMHINEDUSSCNCB-INIZCTEOSA-N 0 0 304.346 0.788 10 0 DCAERN CNC(=O)NC(=O)CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000408390228 277235487 /nfs/dbraw/zinc/23/54/87/277235487.db2.gz SITOCIJMWXJYMQ-LLVKDONJSA-N 0 0 305.382 0.464 10 0 DCAERN CC(=O)N[C@@H](C(=O)N(C)Cc1cnc(N(C)C)nc1)C(C)C ZINC000542810753 287948368 /nfs/dbraw/zinc/94/83/68/287948368.db2.gz AXXYFMAGVMFKBD-CYBMUJFWSA-N 0 0 307.398 0.662 10 0 DCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(F)c(F)cc2F)C1 ZINC000284811849 277347193 /nfs/dbraw/zinc/34/71/93/277347193.db2.gz KVBXDENXWGWBPA-KGFZYKRKSA-N 0 0 302.252 0.819 10 0 DCAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000337764936 277792891 /nfs/dbraw/zinc/79/28/91/277792891.db2.gz GLWFHOPQOSQKIZ-GZMMTYOYSA-N 0 0 317.349 0.374 10 0 DCAERN CC(=O)C1(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000353358055 277929978 /nfs/dbraw/zinc/92/99/78/277929978.db2.gz YFVHSHRSSUDWFT-UHFFFAOYSA-N 0 0 314.407 0.382 10 0 DCAERN CC(=O)CSCC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000343196874 277947834 /nfs/dbraw/zinc/94/78/34/277947834.db2.gz NOHZSHFBRDZTQW-NSHDSACASA-N 0 0 322.452 0.239 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)N2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000408058032 278017941 /nfs/dbraw/zinc/01/79/41/278017941.db2.gz DXHREJNBDRLJSR-CJNGLKHVSA-N 0 0 312.410 0.633 10 0 DCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCC(F)(F)C(F)F)C1 ZINC000408057443 278018258 /nfs/dbraw/zinc/01/82/58/278018258.db2.gz UVXNWAXCGNAJFH-JTQLQIEISA-N 0 0 300.252 0.376 10 0 DCAERN CS(=O)(=O)[C@@H]1CCCN(C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000545894987 288005154 /nfs/dbraw/zinc/00/51/54/288005154.db2.gz VIAALGSDNKXBPC-MELADBBJSA-N 0 0 321.439 0.052 10 0 DCAERN CNC(=O)c1cc(S(=O)(=O)N(C)c2cnccc2C)cn1C ZINC000545920655 288006536 /nfs/dbraw/zinc/00/65/36/288006536.db2.gz DSCDMIIUBYMYBN-UHFFFAOYSA-N 0 0 322.390 0.913 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)Nc1nnc2n(C)[nH]c(C)c1-2 ZINC000408166373 278067190 /nfs/dbraw/zinc/06/71/90/278067190.db2.gz YAVYROFPPFGKEW-QMMMGPOBSA-N 0 0 308.367 0.465 10 0 DCAERN CC(C)n1[nH]cnc1=NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000333541650 278119899 /nfs/dbraw/zinc/11/98/99/278119899.db2.gz JHPCDFYOETYOST-VXGBXAGGSA-N 0 0 310.402 0.200 10 0 DCAERN C[C@@]1(F)CNCCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000333503452 278125718 /nfs/dbraw/zinc/12/57/18/278125718.db2.gz DNXKGPRFUFBOCS-WCQYABFASA-N 0 0 321.418 0.297 10 0 DCAERN Cc1csc([C@@H](C)NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000546141897 288016261 /nfs/dbraw/zinc/01/62/61/288016261.db2.gz DJWYRTBMUBPEMX-BDAKNGLRSA-N 0 0 323.378 0.458 10 0 DCAERN C[C@H]1CO[C@H](c2ccccc2)CN1CC(=O)N1CCNC(=O)C1 ZINC000170763408 278462661 /nfs/dbraw/zinc/46/26/61/278462661.db2.gz HTQUSZKKPFJVAB-ZFWWWQNUSA-N 0 0 317.389 0.407 10 0 DCAERN CC(C)OC[C@H]1CN(C(=O)c2cccc3ncnn32)CCO1 ZINC000547462808 288048841 /nfs/dbraw/zinc/04/88/41/288048841.db2.gz SMJWFLYTBDPXOG-GFCCVEGCSA-N 0 0 304.350 0.995 10 0 DCAERN CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)CC1 ZINC000408206392 278679679 /nfs/dbraw/zinc/67/96/79/278679679.db2.gz TVHVOMPABNFRBO-STQMWFEESA-N 0 0 309.410 0.618 10 0 DCAERN CCCN1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C(C)(C)C1=O ZINC000408380370 278823458 /nfs/dbraw/zinc/82/34/58/278823458.db2.gz YCHJPWFCXTXQIA-RYUDHWBXSA-N 0 0 309.410 0.761 10 0 DCAERN O=C(c1ccc(OC(F)F)cn1)N1CCN2CCOC[C@H]2C1 ZINC000547810874 288081962 /nfs/dbraw/zinc/08/19/62/288081962.db2.gz KFILRYVFEVMEAU-SNVBAGLBSA-N 0 0 313.304 0.840 10 0 DCAERN C[C@@H]1CN(C(=O)[C@](C)(O)Cn2ccccc2=O)C[C@H](C)S1 ZINC000548061399 288107589 /nfs/dbraw/zinc/10/75/89/288107589.db2.gz RVNPGDBTULGHFN-TYNCELHUSA-N 0 0 310.419 0.952 10 0 DCAERN C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)[C@H]1CCCOC1 ZINC000548064079 288108299 /nfs/dbraw/zinc/10/82/99/288108299.db2.gz QRDBIBMNYLIBCU-XEZPLFJOSA-N 0 0 308.378 0.531 10 0 DCAERN Cn1cc(NC(=O)[C@H]2COc3ccccc3C2)c(=O)n(C)c1=O ZINC000172594036 279344421 /nfs/dbraw/zinc/34/44/21/279344421.db2.gz MOPNJUMTLJQLBE-LLVKDONJSA-N 0 0 315.329 0.274 10 0 DCAERN C[C@@H](NC(=O)NCC(=O)NC1CCCCC1)c1ncn(C)n1 ZINC000548367721 288136299 /nfs/dbraw/zinc/13/62/99/288136299.db2.gz SGZRESNXKBHTON-SNVBAGLBSA-N 0 0 308.386 0.624 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000548389474 288138636 /nfs/dbraw/zinc/13/86/36/288138636.db2.gz UAQZLSCRQKZJRJ-WBOJAVRRSA-N 0 0 320.389 0.673 10 0 DCAERN C[C@](O)(Cn1ccccc1=O)C(=O)N1CCOC2(CCC2)C1 ZINC000548392812 288139234 /nfs/dbraw/zinc/13/92/34/288139234.db2.gz DEQWJTFWXUOHHL-HNNXBMFYSA-N 0 0 306.362 0.381 10 0 DCAERN CC(C)N1C[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)CC1=O ZINC000408258241 279555045 /nfs/dbraw/zinc/55/50/45/279555045.db2.gz ZBVZPZFNNBSWSD-FRRDWIJNSA-N 0 0 324.425 0.729 10 0 DCAERN COCc1cc(NC(=O)C(=O)N2CCO[C@@H](C3CC3)C2)ncn1 ZINC000548600207 288158790 /nfs/dbraw/zinc/15/87/90/288158790.db2.gz YEDSYRRGOMLWGK-GFCCVEGCSA-N 0 0 320.349 0.199 10 0 DCAERN CCc1nc(C)c(NC(=O)C(=O)NC[C@@](C)(O)COC)s1 ZINC000548630786 288161400 /nfs/dbraw/zinc/16/14/00/288161400.db2.gz DAZBIEJRADXTFS-CYBMUJFWSA-N 0 0 315.395 0.466 10 0 DCAERN CO[C@@H]1CCOc2c(NC(=O)CN3CCOCC3=O)cccc21 ZINC000548728186 288171282 /nfs/dbraw/zinc/17/12/82/288171282.db2.gz AJVINSPWVWJRTN-CYBMUJFWSA-N 0 0 320.345 0.954 10 0 DCAERN CC=CC[C@@H]1NC(=O)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O ZINC000548779496 288175984 /nfs/dbraw/zinc/17/59/84/288175984.db2.gz CMHXIGTYKWGYJR-NPRAVPSUSA-N 0 0 300.380 0.698 10 0 DCAERN O=C(N[C@H]1CCc2ccccc2C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000268152059 279986934 /nfs/dbraw/zinc/98/69/34/279986934.db2.gz WZUGCEXXPPGFEY-LSDHHAIUSA-N 0 0 314.389 0.963 10 0 DCAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@]12CCCO2 ZINC000333418504 280051514 /nfs/dbraw/zinc/05/15/14/280051514.db2.gz RFXMLJQVQQXEOG-DETPVDSQSA-N 0 0 323.393 0.733 10 0 DCAERN CC(C)[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)N1CCCC1=O ZINC000122018326 280154772 /nfs/dbraw/zinc/15/47/72/280154772.db2.gz GHDDMPRRQCZTRO-DGCLKSJQSA-N 0 0 316.423 0.279 10 0 DCAERN Cc1nnc(N2CCC[C@@]3(CNC(=O)C3)C2)n1C[C@H]1CCOC1 ZINC000550094401 288210291 /nfs/dbraw/zinc/21/02/91/288210291.db2.gz NNLDKOZPNLKCAG-CZUORRHYSA-N 0 0 319.409 0.730 10 0 DCAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)OC)C[C@@]2(CCOC2)O1 ZINC000368609340 280369645 /nfs/dbraw/zinc/36/96/45/280369645.db2.gz XNKBTXGISCSUDB-NFFDBFGFSA-N 0 0 311.378 0.982 10 0 DCAERN CCn1cc(CN(C)C(=O)C(=O)NCc2cnc(C)s2)cn1 ZINC000551682624 288232780 /nfs/dbraw/zinc/23/27/80/288232780.db2.gz LZNZPSZJBVUFSU-UHFFFAOYSA-N 0 0 321.406 0.943 10 0 DCAERN Cc1cc(N2CC[C@@H](N3CCN(C4CC4)CC3)C2=O)n(C)n1 ZINC000173579480 280567872 /nfs/dbraw/zinc/56/78/72/280567872.db2.gz QBWVOTNSRUJEHE-CQSZACIVSA-N 0 0 303.410 0.614 10 0 DCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3nc(C)no3)C2)C1 ZINC000551985247 288255095 /nfs/dbraw/zinc/25/50/95/288255095.db2.gz DAZYNXOGQCYREZ-XQQFMLRXSA-N 0 0 323.397 0.944 10 0 DCAERN CC[C@H]1COCCN1C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000552741575 288279698 /nfs/dbraw/zinc/27/96/98/288279698.db2.gz DDHAKDCMMBKJRS-LBPRGKRZSA-N 0 0 302.334 0.910 10 0 DCAERN CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000552744463 288279867 /nfs/dbraw/zinc/27/98/67/288279867.db2.gz YZBJRPGQERRTKS-LBPRGKRZSA-N 0 0 302.334 0.910 10 0 DCAERN COC[C@@H](NC(=O)C(=O)N1CCC[C@]1(C)CO)c1ccccc1 ZINC000552887219 288281685 /nfs/dbraw/zinc/28/16/85/288281685.db2.gz LBNOQYPMKILIGU-RHSMWYFYSA-N 0 0 320.389 0.864 10 0 DCAERN O=C(NCC1CC1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000554283275 288317479 /nfs/dbraw/zinc/31/74/79/288317479.db2.gz COQSQFNVAZQBRH-LBPRGKRZSA-N 0 0 315.439 0.900 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000151087174 281519866 /nfs/dbraw/zinc/51/98/66/281519866.db2.gz NCWYQEUOMCEXBF-MNOVXSKESA-N 0 0 305.382 0.660 10 0 DCAERN COCC1(O)CCN(C(=O)NCCOCC2CCC2)CC1 ZINC000555250029 288347298 /nfs/dbraw/zinc/34/72/98/288347298.db2.gz JJSYEGRPLRUJNN-UHFFFAOYSA-N 0 0 300.399 0.986 10 0 DCAERN Cn1c(=O)ccc2ccc(NCC(=O)N3CCNC3=O)cc21 ZINC000556055124 288368336 /nfs/dbraw/zinc/36/83/36/288368336.db2.gz ZUQNPXIAEOCALY-UHFFFAOYSA-N 0 0 300.318 0.502 10 0 DCAERN CCc1cnc(CN2CCC(CNS(C)(=O)=O)CC2)o1 ZINC000556816915 288396976 /nfs/dbraw/zinc/39/69/76/288396976.db2.gz LANXNSUFMKSYCA-UHFFFAOYSA-N 0 0 301.412 0.998 10 0 DCAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)COc1cnn(C)c1)CC2 ZINC000558626754 288450761 /nfs/dbraw/zinc/45/07/61/288450761.db2.gz JCYYQUNMCOLBMF-ZIAGYGMSSA-N 0 0 323.393 0.577 10 0 DCAERN CCOC(=O)[C@H]1CSCCN1C(=O)COc1cnn(C)c1 ZINC000558634298 288451429 /nfs/dbraw/zinc/45/14/29/288451429.db2.gz VJFPUWVNQBFXAW-LLVKDONJSA-N 0 0 313.379 0.306 10 0 DCAERN C[C@H](CNS(=O)(=O)N(C)[C@H](C)C1CC1)N1CCCCC1=O ZINC000558683127 288455634 /nfs/dbraw/zinc/45/56/34/288455634.db2.gz HFRSELNVCVGRJC-VXGBXAGGSA-N 0 0 317.455 0.952 10 0 DCAERN CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 ZINC000558877946 288462031 /nfs/dbraw/zinc/46/20/31/288462031.db2.gz HXNFWZCNTRAORM-WBMJQRKESA-N 0 0 319.409 0.908 10 0 DCAERN CC[C@@H](NC(=O)NCCc1cc(C)no1)C(=O)N1CCOCC1 ZINC000561641737 288549541 /nfs/dbraw/zinc/54/95/41/288549541.db2.gz RVNDPVFJIHAKIY-CYBMUJFWSA-N 0 0 324.381 0.462 10 0 DCAERN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000246606885 288935573 /nfs/dbraw/zinc/93/55/73/288935573.db2.gz RDHSQNNCVLPOCL-ZIBATOQPSA-N 0 0 314.345 0.938 10 0 DCAERN CN1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C(C)(C)C1=O ZINC000333610532 290039124 /nfs/dbraw/zinc/03/91/24/290039124.db2.gz GROXWCQSYMDPKO-ZIAGYGMSSA-N 0 0 323.437 0.709 10 0 DCAERN CN1CC[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)CC1=O ZINC000110954326 290122992 /nfs/dbraw/zinc/12/29/92/290122992.db2.gz GLXOBMULANSMHE-CABCVRRESA-N 0 0 323.437 0.568 10 0 DCAERN CNC(=O)[C@@H](NC(=O)CCn1c(C)c(C)sc1=O)C(C)C ZINC000178726268 290538426 /nfs/dbraw/zinc/53/84/26/290538426.db2.gz LWUJHFPYIDMFQR-LBPRGKRZSA-N 0 0 313.423 0.804 10 0 DCAERN CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408008597 290565197 /nfs/dbraw/zinc/56/51/97/290565197.db2.gz OYJXPIZYTZATHA-SRVKXCTJSA-N 0 0 303.428 0.420 10 0 DCAERN CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)C1(C)C ZINC000408103535 294035080 /nfs/dbraw/zinc/03/50/80/294035080.db2.gz BFXLEFGUTFHGIW-NJMOYASZSA-N 0 0 320.455 0.990 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@]2(C)CO)[C@@H](C)CO1 ZINC000408007405 297058529 /nfs/dbraw/zinc/05/85/29/297058529.db2.gz HWFLSIVUSQOBNE-LOWDOPEQSA-N 0 0 306.428 0.481 10 0 DCAERN C[C@@H]1CN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CCS1(=O)=O ZINC000333229266 297061007 /nfs/dbraw/zinc/06/10/07/297061007.db2.gz XWEZHTBBQMFFSP-WYUUTHIRSA-N 0 0 307.437 0.624 10 0 DCAERN Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000367160302 294389234 /nfs/dbraw/zinc/38/92/34/294389234.db2.gz ZVLIDMPETUIAJG-ABAIWWIYSA-N 0 0 315.377 0.848 10 0 DCAERN CO[C@H]1C[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1 ZINC000366051086 294646296 /nfs/dbraw/zinc/64/62/96/294646296.db2.gz QRPNERPJFOHBBY-QNWHQSFQSA-N 0 0 318.439 0.540 10 0 DCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000091780226 295120571 /nfs/dbraw/zinc/12/05/71/295120571.db2.gz ZOCPPRSBYPRZOP-ZDUSSCGKSA-N 0 0 303.293 0.700 10 0 DCAERN C[C@@H]1C[C@H](S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000333443516 297459853 /nfs/dbraw/zinc/45/98/53/297459853.db2.gz QDOBXFARKZECQT-IJLUTSLNSA-N 0 0 318.439 0.873 10 0 DCAERN O=C1C[C@@H](c2ccccc2)N(S(=O)(=O)N2CCC2)CCN1 ZINC000367132684 304646668 /nfs/dbraw/zinc/64/66/68/304646668.db2.gz FIZRIVYIROGAML-ZDUSSCGKSA-N 0 0 309.391 0.500 10 0 DCAERN C[C@H]1CN(C)C[C@H](C)N1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000155557293 300222239 /nfs/dbraw/zinc/22/22/39/300222239.db2.gz KXRMDTTWYLTYOQ-RYUDHWBXSA-N 0 0 302.440 0.752 10 0 DCAERN C[C@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1N1CCOCC1 ZINC000177227279 300241604 /nfs/dbraw/zinc/24/16/04/300241604.db2.gz ZAWKMDDCTZHXEI-QWRGUYRKSA-N 0 0 311.411 0.129 10 0 DCAERN Cc1c(C(=O)N2C[C@H](C)OC[C@H]2C)cccc1S(N)(=O)=O ZINC000129448086 300934751 /nfs/dbraw/zinc/93/47/51/300934751.db2.gz MFWRNKDZLJULJG-ZJUUUORDSA-N 0 0 312.391 0.892 10 0 DCAERN Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O ZINC000284691925 301315992 /nfs/dbraw/zinc/31/59/92/301315992.db2.gz JEHOPCRMOPXDMB-SKDRFNHKSA-N 0 0 316.354 0.397 10 0 DCAERN O=S(=O)(NC[C@]1(CCO)CCOC1)N1CCCCCC1 ZINC000120189499 304761141 /nfs/dbraw/zinc/76/11/41/304761141.db2.gz ARYZJAUKYJDUMA-ZDUSSCGKSA-N 0 0 306.428 0.486 10 0 DCAERN Cn1ncnc1[C@H]1COCCN1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000408023569 303103362 /nfs/dbraw/zinc/10/33/62/303103362.db2.gz SGZLVXHSUOAOLL-VXGBXAGGSA-N 0 0 323.397 0.856 10 0 DCAERN NC(=O)NC(=O)C1CCC(NC(=O)C[C@H]2CCCCO2)CC1 ZINC000408369062 303266275 /nfs/dbraw/zinc/26/62/75/303266275.db2.gz QYQJWLRGZOZAHR-HTAVTVPLSA-N 0 0 311.382 0.816 10 0 DCAERN NC(=O)[C@H]1c2ccccc2CCN1CC1CCS(=O)(=O)CC1 ZINC000367294050 303337386 /nfs/dbraw/zinc/33/73/86/303337386.db2.gz BDIYYWZJZRLVQF-OAHLLOKOSA-N 0 0 322.430 0.896 10 0 DCAERN NC(=O)[C@]1(O)CCCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC000285628129 303337879 /nfs/dbraw/zinc/33/78/79/303337879.db2.gz SQZDRSCTBCJHID-QGTPRVQTSA-N 0 0 314.385 0.729 10 0 DCAERN COCC1(O)CN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 ZINC000570652819 332791949 /nfs/dbraw/zinc/79/19/49/332791949.db2.gz VATYVXJUDJUUNV-KRWDZBQOSA-N 0 0 318.373 0.054 10 0 DCAERN O=C(N[C@H]1CCC(=O)NC12CCC2)c1c[nH]nc1[C@H]1CCOC1 ZINC000332708461 332856841 /nfs/dbraw/zinc/85/68/41/332856841.db2.gz CFABBTSBQGEETC-JQWIXIFHSA-N 0 0 318.377 0.845 10 0 DCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000170705315 332868928 /nfs/dbraw/zinc/86/89/28/332868928.db2.gz DQAPHJAAKKBPMJ-MWLCHTKSSA-N 0 0 304.350 0.903 10 0 DCAERN CCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000332906518 332902417 /nfs/dbraw/zinc/90/24/17/332902417.db2.gz WMACZTFEQDBPKM-NWDGAFQWSA-N 0 0 316.423 0.202 10 0 DCAERN CC(C)OC[C@H](O)CNc1ccc(-n2ncn(C)c2=O)cc1 ZINC000186078834 332911617 /nfs/dbraw/zinc/91/16/17/332911617.db2.gz WCPYVCCBXWYRAV-CQSZACIVSA-N 0 0 306.366 0.769 10 0 DCAERN O=C(CCn1ccnn1)N1CCO[C@H](COc2ccccc2)C1 ZINC000583388540 332380742 /nfs/dbraw/zinc/38/07/42/332380742.db2.gz MYNWENFEOHOHAF-HNNXBMFYSA-N 0 0 316.361 0.975 10 0 DCAERN c1ccc(OC[C@H]2CN(c3nccn4nnnc34)CCO2)cc1 ZINC000583415991 332394417 /nfs/dbraw/zinc/39/44/17/332394417.db2.gz RTSNYZCZMSWQPI-CYBMUJFWSA-N 0 0 312.333 0.804 10 0 DCAERN CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3cncnc3C2)C1(C)C ZINC000580298499 333073627 /nfs/dbraw/zinc/07/36/27/333073627.db2.gz WNTNGYIFPPRULO-OLZOCXBDSA-N 0 0 318.377 0.291 10 0 DCAERN C[C@@H](NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)C(=O)N(C)C ZINC000583479561 333367416 /nfs/dbraw/zinc/36/74/16/333367416.db2.gz DNBHHUPYFSMHKB-APPZFPTMSA-N 0 0 321.303 0.799 10 0 DCAERN NS(=O)(=O)CCNC(=O)NCCCc1cccc(F)c1 ZINC000171758980 333472197 /nfs/dbraw/zinc/47/21/97/333472197.db2.gz AFCQLQRZRGLDTF-UHFFFAOYSA-N 0 0 303.359 0.346 10 0 DCAERN O=C1N[C@@]2(CCOC2)C(=O)N1c1cccc(N2CCOCC2)c1 ZINC000580393827 336265443 /nfs/dbraw/zinc/26/54/43/336265443.db2.gz DIPXAAUFPYEZDD-MRXNPFEDSA-N 0 0 317.345 0.739 10 0 DCAERN NC(=O)c1ccc(C(=O)N2CCN(c3cccnn3)CC2)s1 ZINC000171308093 341775599 /nfs/dbraw/zinc/77/55/99/341775599.db2.gz GVUXMUWLGYNRNZ-UHFFFAOYSA-N 0 0 317.374 0.599 10 0 DCAERN COC[C@@](C)(O)CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000576068977 341824145 /nfs/dbraw/zinc/82/41/45/341824145.db2.gz CXLYQZZJHCHOTR-KOLCDFICSA-N 0 0 324.303 0.720 10 0 DCAERN CC(=O)N(C)c1ccc(NC(=O)N2CC(C)(C(N)=O)C2)cn1 ZINC000576986236 341873686 /nfs/dbraw/zinc/87/36/86/341873686.db2.gz NPTZMEVAHIHGQY-UHFFFAOYSA-N 0 0 305.338 0.403 10 0 DCAERN CN(Cc1nnnn1C)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000577213608 341897751 /nfs/dbraw/zinc/89/77/51/341897751.db2.gz XJCQGLQQROAJOD-UHFFFAOYSA-N 0 0 315.381 0.826 10 0 DCAERN CC(=O)c1cccc(NC(=O)[C@H](O)Cc2cnn(C)c2)c1O ZINC000577282249 341902235 /nfs/dbraw/zinc/90/22/35/341902235.db2.gz BJBCXBIIGDVBBZ-CYBMUJFWSA-N 0 0 303.318 0.870 10 0 DCAERN C[C@H]1CN(CC(=O)N2CCc3ccccc3C2)CCN1CCO ZINC000187652905 533911280 /nfs/dbraw/zinc/91/12/80/533911280.db2.gz XXVGBPRWEJZODI-HNNXBMFYSA-N 0 0 317.433 0.570 10 0 DCAERN COc1ccc(F)cc1CC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000299745666 533926422 /nfs/dbraw/zinc/92/64/22/533926422.db2.gz RSNYYKWQUGCFSK-DZGCQCFKSA-N 0 0 308.353 0.918 10 0 DCAERN C[C@H]1CN(C[C@H](O)COCc2ccco2)CCS1(=O)=O ZINC000151055441 533946405 /nfs/dbraw/zinc/94/64/05/533946405.db2.gz STCDXIAYFIVGEQ-RYUDHWBXSA-N 0 0 303.380 0.276 10 0 DCAERN CS[C@H](C)CC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000328634103 534028180 /nfs/dbraw/zinc/02/81/80/534028180.db2.gz MMUZOHSBGXOAMP-MNOVXSKESA-N 0 0 303.428 0.822 10 0 DCAERN COc1ccccc1CNC(=O)CN1CCN(CCO)[C@H](C)C1 ZINC000187695581 534084012 /nfs/dbraw/zinc/08/40/12/534084012.db2.gz ODJGBVKECLFXQM-CQSZACIVSA-N 0 0 321.421 0.310 10 0 DCAERN C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000176076100 534185597 /nfs/dbraw/zinc/18/55/97/534185597.db2.gz CSGBKRIHHJKZON-IONNQARKSA-N 0 0 318.317 0.128 10 0 DCAERN CC(C)c1nnnn1CC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000374963761 517492446 /nfs/dbraw/zinc/49/24/46/517492446.db2.gz PFWTVLNOYOUOFG-LLVKDONJSA-N 0 0 303.370 0.724 10 0 DCAERN CC(=O)c1cccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000268867694 518416476 /nfs/dbraw/zinc/41/64/76/518416476.db2.gz SZGPNEJFTRGPJA-CYBMUJFWSA-N 0 0 310.375 0.653 10 0 DCAERN O=C(CCCNC(=O)c1cccnc1)NCC1(CCO)CC1 ZINC000187979242 534353996 /nfs/dbraw/zinc/35/39/96/534353996.db2.gz QONGGIWAJNEGEO-UHFFFAOYSA-N 0 0 305.378 0.870 10 0 DCAERN CC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c(=O)n(C)c1=O ZINC000156645269 518480139 /nfs/dbraw/zinc/48/01/39/518480139.db2.gz WORJKSJTNLASKF-UHFFFAOYSA-N 0 0 315.329 0.697 10 0 DCAERN COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401797749 534416127 /nfs/dbraw/zinc/41/61/27/534416127.db2.gz JHDYSIGHXYFIHE-IUCAKERBSA-N 0 0 319.404 0.926 10 0 DCAERN CC(=O)N1CC(C(=O)N2CCN(Cc3cnc(C)s3)CC2)C1 ZINC000188432458 519487646 /nfs/dbraw/zinc/48/76/46/519487646.db2.gz COGRSBUHQCUVQK-UHFFFAOYSA-N 0 0 322.434 0.574 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000120990450 519544001 /nfs/dbraw/zinc/54/40/01/519544001.db2.gz NVYABRBIFTVGNI-CYBMUJFWSA-N 0 0 300.322 0.612 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000188561282 519649386 /nfs/dbraw/zinc/64/93/86/519649386.db2.gz PXHQGPPDCFXACG-UHFFFAOYSA-N 0 0 306.746 0.988 10 0 DCAERN CC(=O)NC1CN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000188563924 519649546 /nfs/dbraw/zinc/64/95/46/519649546.db2.gz GVYKSDGTMWIMGX-UHFFFAOYSA-N 0 0 319.386 0.986 10 0 DCAERN CC(C)CC[C@@](C)(O)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000154744935 519687603 /nfs/dbraw/zinc/68/76/03/519687603.db2.gz QAZCEOUXWHCOHK-UKRRQHHQSA-N 0 0 301.431 0.803 10 0 DCAERN CC(C)NC(=O)CCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111649618 519701589 /nfs/dbraw/zinc/70/15/89/519701589.db2.gz AQCNUNFNRXINMD-CQSZACIVSA-N 0 0 322.409 0.805 10 0 DCAERN CC(C)NC(=O)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000157355913 519708295 /nfs/dbraw/zinc/70/82/95/519708295.db2.gz ZICIYDXSSLVHSC-UHFFFAOYSA-N 0 0 304.393 0.406 10 0 DCAERN CC(=O)Nc1ccc(CCNC(=O)N2CC(NC(C)=O)C2)cc1 ZINC000190048906 519715205 /nfs/dbraw/zinc/71/52/05/519715205.db2.gz PYUVQUKDPDBNBI-UHFFFAOYSA-N 0 0 318.377 0.717 10 0 DCAERN CC(C)[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000245986154 519823608 /nfs/dbraw/zinc/82/36/08/519823608.db2.gz KBOVLQPCJVQRRP-GUTXKFCHSA-N 0 0 305.378 0.734 10 0 DCAERN CCCN1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1=O ZINC000189062656 519850616 /nfs/dbraw/zinc/85/06/16/519850616.db2.gz GYAAIAMPPYAHDS-GFCCVEGCSA-N 0 0 321.377 0.869 10 0 DCAERN CC(C)c1cnc(NC(=O)C(=O)N2CCNC(=O)CC2)s1 ZINC000190818740 519851266 /nfs/dbraw/zinc/85/12/66/519851266.db2.gz ZFZIVSZSYOFEBL-UHFFFAOYSA-N 0 0 310.379 0.554 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 ZINC000157531323 519870138 /nfs/dbraw/zinc/87/01/38/519870138.db2.gz JNLAHRXUTNEHPJ-MNOVXSKESA-N 0 0 305.382 0.879 10 0 DCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCNC(=O)C1 ZINC000157531790 519870806 /nfs/dbraw/zinc/87/08/06/519870806.db2.gz JNLAHRXUTNEHPJ-WDEREUQCSA-N 0 0 305.382 0.879 10 0 DCAERN CC(C)n1cc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cn1 ZINC000191683488 519936287 /nfs/dbraw/zinc/93/62/87/519936287.db2.gz QGBNZDJXVWLKSL-LLVKDONJSA-N 0 0 300.384 0.228 10 0 DCAERN CCN(C(=O)NCc1ccnn1C)[C@H](C)CS(=O)(=O)CC ZINC000113373822 519972559 /nfs/dbraw/zinc/97/25/59/519972559.db2.gz GOXFGDPASFDMCP-LLVKDONJSA-N 0 0 316.427 0.775 10 0 DCAERN CC1(CNC(=O)C(=O)NCc2ccc(F)cc2)OCCCO1 ZINC000191543097 520705669 /nfs/dbraw/zinc/70/56/69/520705669.db2.gz XVSKOAXKDKTFLL-UHFFFAOYSA-N 0 0 310.325 0.711 10 0 DCAERN CC1(CNC(=O)c2sccc2-n2cnnn2)OCCCO1 ZINC000191540655 520730393 /nfs/dbraw/zinc/73/03/93/520730393.db2.gz ZSSBHOJSMSCIGY-UHFFFAOYSA-N 0 0 309.351 0.607 10 0 DCAERN NC(=O)c1coc(CNC(=O)NC[C@@H](CO)c2ccccc2)c1 ZINC000188015038 534517841 /nfs/dbraw/zinc/51/78/41/534517841.db2.gz DKDCAZVAHAZJQI-ZDUSSCGKSA-N 0 0 317.345 0.954 10 0 DCAERN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC1(CCO)CC1 ZINC000157272696 521310134 /nfs/dbraw/zinc/31/01/34/521310134.db2.gz JOGIAGCFWFBVBZ-LLVKDONJSA-N 0 0 320.411 0.011 10 0 DCAERN CCS(=O)(=O)NCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000157962053 521677133 /nfs/dbraw/zinc/67/71/33/521677133.db2.gz MYOHLLWHGFNYPE-FRRDWIJNSA-N 0 0 306.428 0.194 10 0 DCAERN CCNC(=O)C(C)(C)CNC(=O)c1ccc2nnn(C)c2c1 ZINC000185069478 521733028 /nfs/dbraw/zinc/73/30/28/521733028.db2.gz LOOJIUKIFBHWOW-UHFFFAOYSA-N 0 0 303.366 0.860 10 0 DCAERN CNC(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)nn1 ZINC000266862611 521831065 /nfs/dbraw/zinc/83/10/65/521831065.db2.gz XHCOXMITEYMWEK-NSHDSACASA-N 0 0 301.354 0.344 10 0 DCAERN COCCc1noc(CN2CCCN(c3cccnn3)CC2)n1 ZINC000105800555 522042563 /nfs/dbraw/zinc/04/25/63/522042563.db2.gz JGAZTFHRXNFBJF-UHFFFAOYSA-N 0 0 318.381 0.761 10 0 DCAERN CC[C@H](CO)N1CCN(C(=O)[C@H](C)NC(=O)c2ccoc2)CC1 ZINC000131457511 522205323 /nfs/dbraw/zinc/20/53/23/522205323.db2.gz IQUIXCXSSBKTLO-GXTWGEPZSA-N 0 0 323.393 0.313 10 0 DCAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)cc1 ZINC000186564196 522274104 /nfs/dbraw/zinc/27/41/04/522274104.db2.gz XPQJUASXHVHGTP-JTQLQIEISA-N 0 0 310.375 0.646 10 0 DCAERN COC(=O)c1ccccc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000157707564 522290950 /nfs/dbraw/zinc/29/09/50/522290950.db2.gz SBFRDXFDUACHHC-UHFFFAOYSA-N 0 0 323.374 0.957 10 0 DCAERN CNS(=O)(=O)c1csc(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000176459120 522313065 /nfs/dbraw/zinc/31/30/65/522313065.db2.gz ARVRMMXAOATTDS-DTORHVGOSA-N 0 0 318.420 0.906 10 0 DCAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C(N)=O)C(C)C ZINC000135449777 522509753 /nfs/dbraw/zinc/50/97/53/522509753.db2.gz VUDHJOYYHGISIP-GXSJLCMTSA-N 0 0 308.386 0.485 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000132030988 522558798 /nfs/dbraw/zinc/55/87/98/522558798.db2.gz FDDKAEUFYAULAY-ZDUSSCGKSA-N 0 0 317.393 0.674 10 0 DCAERN CCc1ncc(NC(=O)C(=O)N(C)[C@H](CO)CC(C)C)cn1 ZINC000191090771 522560413 /nfs/dbraw/zinc/56/04/13/522560413.db2.gz GOAGMJCHUAPZAJ-LBPRGKRZSA-N 0 0 308.382 0.843 10 0 DCAERN CN(CC1(CO)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000188969283 522597423 /nfs/dbraw/zinc/59/74/23/522597423.db2.gz ASTIUDWDESLTFX-UHFFFAOYSA-N 0 0 324.402 0.366 10 0 DCAERN COC(=O)CCCC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000164676820 522965286 /nfs/dbraw/zinc/96/52/86/522965286.db2.gz NJRLENDOCILAAP-LBPRGKRZSA-N 0 0 306.366 0.905 10 0 DCAERN COC(=O)C[C@@H]1CN(Cc2nsc(N(C)C)n2)CCO1 ZINC000154643086 523303387 /nfs/dbraw/zinc/30/33/87/523303387.db2.gz LBOIYLTXLHRXIO-SECBINFHSA-N 0 0 300.384 0.368 10 0 DCAERN CCn1cc([C@H]2CN(CC(=O)NCC(F)(F)F)CCO2)cn1 ZINC000190824607 523483021 /nfs/dbraw/zinc/48/30/21/523483021.db2.gz BOSQNOIUTSRNOG-LLVKDONJSA-N 0 0 320.315 0.955 10 0 DCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000367527887 523731468 /nfs/dbraw/zinc/73/14/68/523731468.db2.gz TVLBXPPDVYBDBL-YNEHKIRRSA-N 0 0 311.378 0.982 10 0 DCAERN COCCN1C[C@@H](C(=O)NCc2cc(F)ccc2OC)CC1=O ZINC000189413302 523882190 /nfs/dbraw/zinc/88/21/90/523882190.db2.gz IADUKQKXLUEQAB-LBPRGKRZSA-N 0 0 324.352 0.945 10 0 DCAERN CO[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000189110572 523884834 /nfs/dbraw/zinc/88/48/34/523884834.db2.gz IHBISBWVWHDRCU-ZJUUUORDSA-N 0 0 318.370 0.644 10 0 DCAERN CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000191330306 523891418 /nfs/dbraw/zinc/89/14/18/523891418.db2.gz OZVPGSBMDAOBKG-VHSXEESVSA-N 0 0 317.349 0.950 10 0 DCAERN CN1CCO[C@@H](CNC(=O)Cn2cnc(-c3ccccc3)n2)C1 ZINC000129416960 523936169 /nfs/dbraw/zinc/93/61/69/523936169.db2.gz RKNMSGORKCINBK-AWEZNQCLSA-N 0 0 315.377 0.392 10 0 DCAERN CN1CCO[C@H](CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000246844938 523948831 /nfs/dbraw/zinc/94/88/31/523948831.db2.gz BCNBCQFPWLSHGN-SQWLQELKSA-N 0 0 311.426 0.654 10 0 DCAERN CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000166836696 523966034 /nfs/dbraw/zinc/96/60/34/523966034.db2.gz XPQKLLQHFTYXIF-CYBMUJFWSA-N 0 0 303.362 0.925 10 0 DCAERN CN1CC[C@H](NC(=O)CCc2ccc3c(c2)OCCO3)C1=O ZINC000152435857 523983702 /nfs/dbraw/zinc/98/37/02/523983702.db2.gz PLRVEMJTPHKHLO-LBPRGKRZSA-N 0 0 304.346 0.737 10 0 DCAERN CN1C[C@@H](NC(=O)C(=O)NCCCc2ccccc2)CCC1=O ZINC000131151365 524008851 /nfs/dbraw/zinc/00/88/51/524008851.db2.gz GNYBHCHCHNUFDW-AWEZNQCLSA-N 0 0 317.389 0.472 10 0 DCAERN COCCOCCS(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000153227809 524013496 /nfs/dbraw/zinc/01/34/96/524013496.db2.gz WDOAHNORWMMNNC-CYBMUJFWSA-N 0 0 317.411 0.550 10 0 DCAERN CN1C[C@H](NC(=O)C(=O)NCCCc2ccccc2)CCC1=O ZINC000131151151 524021773 /nfs/dbraw/zinc/02/17/73/524021773.db2.gz GNYBHCHCHNUFDW-CQSZACIVSA-N 0 0 317.389 0.472 10 0 DCAERN CNC(=O)[C@@H]1CN(C(=O)Nc2ccnn2[C@@H](C)C2CC2)CCO1 ZINC000156657434 524083417 /nfs/dbraw/zinc/08/34/17/524083417.db2.gz QVUDXCQZHTVRLP-JQWIXIFHSA-N 0 0 321.381 0.833 10 0 DCAERN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCO[C@H](CO)C1 ZINC000267575590 524144304 /nfs/dbraw/zinc/14/43/04/524144304.db2.gz DLXYTLYVIZDCSL-AAEUAGOBSA-N 0 0 310.419 0.714 10 0 DCAERN C[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)[C@@H]1CO ZINC000190235912 524249558 /nfs/dbraw/zinc/24/95/58/524249558.db2.gz IWFMNEUIXZQAGV-GXTWGEPZSA-N 0 0 305.378 0.829 10 0 DCAERN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)NCC(F)(F)CO ZINC000192073605 524325266 /nfs/dbraw/zinc/32/52/66/524325266.db2.gz BWWTTWHDWHXSSW-QMMMGPOBSA-N 0 0 316.308 0.536 10 0 DCAERN COc1ccccc1CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000104907078 524406824 /nfs/dbraw/zinc/40/68/24/524406824.db2.gz DOYWHZXZMWUGLV-LLVKDONJSA-N 0 0 314.407 0.634 10 0 DCAERN COc1ccc(NC(=O)C(=O)N2CCOCC[C@H]2C)c(C)n1 ZINC000364774813 524454832 /nfs/dbraw/zinc/45/48/32/524454832.db2.gz SAIDZNDKJLQZHS-SNVBAGLBSA-N 0 0 307.350 0.975 10 0 DCAERN C[C@H]1CN(C(=O)CCc2ccncn2)C[C@H]1N1CCOCC1 ZINC000191267474 524472266 /nfs/dbraw/zinc/47/22/66/524472266.db2.gz BHNBXNSLXZZEQX-DZGCQCFKSA-N 0 0 304.394 0.588 10 0 DCAERN C[C@H]1CN(C(=O)NCC(=O)NCC(F)(F)F)C[C@@H](C2CC2)O1 ZINC000366306315 524492280 /nfs/dbraw/zinc/49/22/80/524492280.db2.gz ULNKWHWDVJZOPG-WPRPVWTQSA-N 0 0 323.315 0.874 10 0 DCAERN CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cnn2C)[C@H](C)C1 ZINC000429856086 534798754 /nfs/dbraw/zinc/79/87/54/534798754.db2.gz XCFMRTFGDGXBGH-MRVPVSSYSA-N 0 0 320.802 0.315 10 0 DCAERN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000158824859 524815257 /nfs/dbraw/zinc/81/52/57/524815257.db2.gz KZSQOGALZQVKQU-UWVGGRQHSA-N 0 0 301.364 0.753 10 0 DCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000118083428 524823187 /nfs/dbraw/zinc/82/31/87/524823187.db2.gz VFROFKCIXSGTQT-NQBHXWOUSA-N 0 0 321.381 0.344 10 0 DCAERN C[C@@H](C[S@](C)=O)N(C)C(=O)Cn1c2ccccc2[nH]c1=O ZINC000157187530 524875196 /nfs/dbraw/zinc/87/51/96/524875196.db2.gz CAKDZIDARVXESR-CHNSCGDPSA-N 0 0 309.391 0.555 10 0 DCAERN Cc1ccccc1C1(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000155404473 525080391 /nfs/dbraw/zinc/08/03/91/525080391.db2.gz RPPKJVAXYVCTLZ-LBPRGKRZSA-N 0 0 301.346 0.741 10 0 DCAERN COc1ccc([C@@H](C)C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000181040278 525117387 /nfs/dbraw/zinc/11/73/87/525117387.db2.gz NFTXDDUSFCSQSS-GFCCVEGCSA-N 0 0 306.362 0.774 10 0 DCAERN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(CCOC3)C2)C1 ZINC000154873586 525164124 /nfs/dbraw/zinc/16/41/24/525164124.db2.gz SKNCFTCTQGPQGE-OCCSQVGLSA-N 0 0 316.423 0.297 10 0 DCAERN CS(=O)(=O)N[C@@H]1CCN(c2ncncc2Br)C1 ZINC000126579895 525211141 /nfs/dbraw/zinc/21/11/41/525211141.db2.gz SJNJDJXXIKOPGY-SSDOTTSWSA-N 0 0 321.200 0.367 10 0 DCAERN Cc1ccccc1OC[C@@H](O)CN1CC(NC(=O)C2CC2)C1 ZINC000187981388 525306743 /nfs/dbraw/zinc/30/67/43/525306743.db2.gz VAALAJGCQMMSNT-HNNXBMFYSA-N 0 0 304.390 0.945 10 0 DCAERN C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)C(=O)N1CCCC[C@@H]1C ZINC000154627101 525308463 /nfs/dbraw/zinc/30/84/63/525308463.db2.gz MLUJXDLIQQGPPV-WDEREUQCSA-N 0 0 320.393 0.643 10 0 DCAERN C[C@]1(O)CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000188427298 525310459 /nfs/dbraw/zinc/31/04/59/525310459.db2.gz BBCUUGIPIJCMEC-WFASDCNBSA-N 0 0 305.382 0.612 10 0 DCAERN C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C ZINC000188231828 525577680 /nfs/dbraw/zinc/57/76/80/525577680.db2.gz SYTRLMNEIKDMNB-GVXVVHGQSA-N 0 0 302.396 0.979 10 0 DCAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000186302435 525901984 /nfs/dbraw/zinc/90/19/84/525901984.db2.gz DKEAMOLHBNYNSF-CYBMUJFWSA-N 0 0 314.345 0.507 10 0 DCAERN C[C@H](C(=O)NCC1CCCCC1)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246304496 526040471 /nfs/dbraw/zinc/04/04/71/526040471.db2.gz CFGAZLAWSKUKJY-YRGRVCCFSA-N 0 0 311.426 0.646 10 0 DCAERN COc1cccc(N2CCC[C@H](NC(=O)[C@H](C)NC(N)=O)C2)c1 ZINC000117269397 526143883 /nfs/dbraw/zinc/14/38/83/526143883.db2.gz JZXBANLTVDHWLC-RYUDHWBXSA-N 0 0 320.393 0.837 10 0 DCAERN C[C@H](c1nnnn1C)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000189198580 526191919 /nfs/dbraw/zinc/19/19/19/526191919.db2.gz VKXQDKPSHZLCOX-GFCCVEGCSA-N 0 0 304.402 0.213 10 0 DCAERN O=C(NCCNC(=O)N1CCC[C@@H](CO)C1)c1ccccc1 ZINC000122751327 526326041 /nfs/dbraw/zinc/32/60/41/526326041.db2.gz MMHZBDSBYMGGEN-CYBMUJFWSA-N 0 0 305.378 0.830 10 0 DCAERN Cc1csc(N2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)n1 ZINC000155027989 526379495 /nfs/dbraw/zinc/37/94/95/526379495.db2.gz SDUXLRZJSRVPLI-VIFPVBQESA-N 0 0 312.420 0.925 10 0 DCAERN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCC1(C)COC1 ZINC000118228377 526438524 /nfs/dbraw/zinc/43/85/24/526438524.db2.gz AWVSDYGSXYRRQI-AWEZNQCLSA-N 0 0 315.377 0.918 10 0 DCAERN Cc1nnc([C@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)[nH]1 ZINC000156528803 526536561 /nfs/dbraw/zinc/53/65/61/526536561.db2.gz DRXHFVKUQBZRMZ-SNVBAGLBSA-N 0 0 318.337 0.027 10 0 DCAERN CC(=O)N1CCC[C@@H]1C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C ZINC000330899667 526574311 /nfs/dbraw/zinc/57/43/11/526574311.db2.gz ABNPEJGFCABZNX-ABAIWWIYSA-N 0 0 314.382 0.206 10 0 DCAERN Cc1nc(-c2cccc(NC(=O)C(=O)NCC(C)(C)O)c2)no1 ZINC000129762373 526585991 /nfs/dbraw/zinc/58/59/91/526585991.db2.gz XFTFSAUGCMWIJA-UHFFFAOYSA-N 0 0 318.333 0.871 10 0 DCAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCN2CCOC[C@@H]2C1 ZINC000364268858 526654855 /nfs/dbraw/zinc/65/48/55/526654855.db2.gz OQPFQWVEDOIOQM-AWEZNQCLSA-N 0 0 313.361 0.628 10 0 DCAERN O=C(NCc1ccc(Cl)cc1)C1CC2(C1)NC(=O)NC2=O ZINC000154560506 526659385 /nfs/dbraw/zinc/65/93/85/526659385.db2.gz NHJQOARVVRVLCP-UHFFFAOYSA-N 0 0 307.737 0.944 10 0 DCAERN O=C(CNC(=O)N1CCc2ccccc2C1)N1CC(CO)C1 ZINC000156977129 526837864 /nfs/dbraw/zinc/83/78/64/526837864.db2.gz GPELDLQQZUZQJP-UHFFFAOYSA-N 0 0 303.362 0.205 10 0 DCAERN CC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000173472720 526899450 /nfs/dbraw/zinc/89/94/50/526899450.db2.gz HBNNRJLLCUKVNH-ZDUSSCGKSA-N 0 0 307.398 0.847 10 0 DCAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1COCCN1 ZINC000238133291 526916801 /nfs/dbraw/zinc/91/68/01/526916801.db2.gz HNKVUEQVJXIFRK-KGLIPLIRSA-N 0 0 309.410 0.272 10 0 DCAERN Cn1c2ccc(NC(=O)N[C@H]3CCC(=O)N(C)C3)cc2oc1=O ZINC000153628464 527102457 /nfs/dbraw/zinc/10/24/57/527102457.db2.gz IZWSLQGLIIECSO-JTQLQIEISA-N 0 0 318.333 0.874 10 0 DCAERN O=C(Nc1cc(F)ccc1F)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187988856 527125474 /nfs/dbraw/zinc/12/54/74/527125474.db2.gz CUJVKMYIEBFFRU-UHFFFAOYSA-N 0 0 323.299 0.640 10 0 DCAERN CC(=O)[C@@](C)(O)CN1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000330859180 527137931 /nfs/dbraw/zinc/13/79/31/527137931.db2.gz OQMHOYMNLYHICI-INIZCTEOSA-N 0 0 324.425 0.825 10 0 DCAERN O=C(Nc1cccnc1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188013787 527440864 /nfs/dbraw/zinc/44/08/64/527440864.db2.gz MCSJIKBJNZLWOL-UHFFFAOYSA-N 0 0 302.334 0.147 10 0 DCAERN O=C(NC1CCC(O)(c2cccnc2)CC1)[C@H]1CNC(=O)C1 ZINC000187279281 527499747 /nfs/dbraw/zinc/49/97/47/527499747.db2.gz QJZSCOQQBWJMQK-FFKNIBCLSA-N 0 0 303.362 0.464 10 0 DCAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(F)cc2)C1)C1CC1 ZINC000187925212 527543307 /nfs/dbraw/zinc/54/33/07/527543307.db2.gz GSAOARATWUDKLW-UHFFFAOYSA-N 0 0 312.366 0.866 10 0 DCAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)NC)C1 ZINC000171488637 527901087 /nfs/dbraw/zinc/90/10/87/527901087.db2.gz OJXDAACBUXFIJF-STQMWFEESA-N 0 0 309.410 0.762 10 0 DCAERN CCNC(=O)C1CN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)C1 ZINC000152582896 528048600 /nfs/dbraw/zinc/04/86/00/528048600.db2.gz RJFPBITWROFWGL-LBPRGKRZSA-N 0 0 310.398 0.163 10 0 DCAERN CCN(CC)S(=O)(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189187305 528213355 /nfs/dbraw/zinc/21/33/55/528213355.db2.gz SIMDRNSWVMVLCX-WDEREUQCSA-N 0 0 318.399 0.726 10 0 DCAERN CC(C)c1nc2n(n1)C[C@@H](Nc1cncc(C(N)=O)n1)CC2 ZINC000301502326 528335593 /nfs/dbraw/zinc/33/55/93/528335593.db2.gz GYQTUSPCMJELID-VIFPVBQESA-N 0 0 301.354 0.717 10 0 DCAERN CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC000176286910 528440302 /nfs/dbraw/zinc/44/03/02/528440302.db2.gz QJROTRYPYWMOJS-KBPBESRZSA-N 0 0 309.410 0.620 10 0 DCAERN CCOCCN1CCN(C(=O)Nc2cccn(C)c2=O)C[C@H]1C ZINC000173537762 528744294 /nfs/dbraw/zinc/74/42/94/528744294.db2.gz PMSRFAMHUUFNHZ-CYBMUJFWSA-N 0 0 322.409 0.960 10 0 DCAERN CCOCCNC(=O)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000175963547 528764116 /nfs/dbraw/zinc/76/41/16/528764116.db2.gz NNIFTXHWKJPRHH-AWEZNQCLSA-N 0 0 310.398 0.045 10 0 DCAERN CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000178053745 528812031 /nfs/dbraw/zinc/81/20/31/528812031.db2.gz IAFFBXIPLPWWRJ-AAEUAGOBSA-N 0 0 318.439 0.874 10 0 DCAERN CC(C)[C@@](C)(O)CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000178745229 528877859 /nfs/dbraw/zinc/87/78/59/528877859.db2.gz PYLNRZUMSCKSMX-ZDUSSCGKSA-N 0 0 300.380 0.471 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCCC[C@H]1CCO ZINC000162297196 528887690 /nfs/dbraw/zinc/88/76/90/528887690.db2.gz MMKXIGDAMWNJRR-LBPRGKRZSA-N 0 0 308.382 0.995 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N1CCC[C@@]1(CC)CO ZINC000191372348 528888206 /nfs/dbraw/zinc/88/82/06/528888206.db2.gz SCUPVFISODNBDE-HNNXBMFYSA-N 0 0 308.382 0.995 10 0 DCAERN CCCn1nccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000186481356 528891004 /nfs/dbraw/zinc/89/10/04/528891004.db2.gz WEOJIJBSHKSXFC-RYUDHWBXSA-N 0 0 308.382 0.899 10 0 DCAERN CCN(C(=O)CC(=O)NC)[C@H]1CCN(c2ccccc2)C1=O ZINC000185836094 528935660 /nfs/dbraw/zinc/93/56/60/528935660.db2.gz UDPMVFPHMFIBRA-ZDUSSCGKSA-N 0 0 303.362 0.777 10 0 DCAERN CCC1(CC)CN(C(=O)C2CN(C(C)=O)C2)CC[S@@]1=O ZINC000188668872 529061206 /nfs/dbraw/zinc/06/12/06/529061206.db2.gz KFGPJERUVXSRKY-HXUWFJFHSA-N 0 0 300.424 0.614 10 0 DCAERN CCO[C@@H](C)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000276707490 529094656 /nfs/dbraw/zinc/09/46/56/529094656.db2.gz PKZZTFCRAFGUIF-WCQYABFASA-N 0 0 308.382 0.868 10 0 DCAERN CC[C@H]1[C@@H](C)CCN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000185399867 529336115 /nfs/dbraw/zinc/33/61/15/529336115.db2.gz YQXDPUWVRAXYFN-JQWIXIFHSA-N 0 0 303.366 0.777 10 0 DCAERN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCCO ZINC000442998640 535330933 /nfs/dbraw/zinc/33/09/33/535330933.db2.gz DVDPSAUDZINSTL-GFCCVEGCSA-N 0 0 306.428 0.422 10 0 DCAERN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1C[C@H]1CC ZINC000454878086 535431189 /nfs/dbraw/zinc/43/11/89/535431189.db2.gz PFLSCNAYZZSBLU-QCNOEVLYSA-N 0 0 313.398 0.788 10 0 DCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000284625667 536086869 /nfs/dbraw/zinc/08/68/69/536086869.db2.gz PPQBGDHBPRCVHU-IJLUTSLNSA-N 0 0 319.409 0.673 10 0 DCAERN CO[C@@H]1CCN(C(=O)NCC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000441179943 536662594 /nfs/dbraw/zinc/66/25/94/536662594.db2.gz QKRWWVPBVQBPJQ-RKDXNWHRSA-N 0 0 311.304 0.874 10 0 DCAERN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(N)cc1F ZINC000043592853 545649157 /nfs/dbraw/zinc/64/91/57/545649157.db2.gz OAAYNAGFOUEAPY-UHFFFAOYSA-N 0 0 317.386 0.943 10 0 DCAERN C[C@@]([NH3+])(CCn1cc(I)cn1)C(N)=O ZINC000070678543 545661678 /nfs/dbraw/zinc/66/16/78/545661678.db2.gz RQSRZJJWPPYQDJ-MRVPVSSYSA-N 0 0 308.123 0.081 10 0 DCAERN Cc1cc(NC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)no1 ZINC000073855022 545668278 /nfs/dbraw/zinc/66/82/78/545668278.db2.gz WHALKQHERGQHNL-UHFFFAOYSA-N 0 0 316.321 0.958 10 0 DCAERN NC(=O)C1(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000119551925 545739636 /nfs/dbraw/zinc/73/96/36/545739636.db2.gz HJFKXNUQBXEIKS-GHMZBOCLSA-N 0 0 302.330 0.695 10 0 DCAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000165783811 545876087 /nfs/dbraw/zinc/87/60/87/545876087.db2.gz RHUCXFRSAWOOBM-LLVKDONJSA-N 0 0 317.386 0.407 10 0 DCAERN O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177968433 545894257 /nfs/dbraw/zinc/89/42/57/545894257.db2.gz HKDPXYZBLCDUST-TZMCWYRMSA-N 0 0 320.393 0.899 10 0 DCAERN C[C@]12CCC(=O)N1[C@H](C(=O)NCCCn1ccnn1)CS2 ZINC000182899704 545906136 /nfs/dbraw/zinc/90/61/36/545906136.db2.gz ATDOAWQATZJIDU-GWCFXTLKSA-N 0 0 309.395 0.238 10 0 DCAERN COCC(=O)NC1CN(C(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000188483552 545917350 /nfs/dbraw/zinc/91/73/50/545917350.db2.gz BMOGJWGKQMUQJT-GFCCVEGCSA-N 0 0 303.362 0.483 10 0 DCAERN CCN1CN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1=O ZINC000191516087 545925780 /nfs/dbraw/zinc/92/57/80/545925780.db2.gz MJPNWIVORFMADZ-UHFFFAOYSA-N 0 0 307.354 0.225 10 0 DCAERN CCN1CCO[C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)C1 ZINC000312481596 546022671 /nfs/dbraw/zinc/02/26/71/546022671.db2.gz HKWKPVHXKDUZFH-VIFPVBQESA-N 0 0 320.440 0.232 10 0 DCAERN CCc1nnc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@H]3C)CCO2)o1 ZINC000333266906 546075248 /nfs/dbraw/zinc/07/52/48/546075248.db2.gz BVQLVOFOTUHLGC-VWYCJHECSA-N 0 0 310.354 0.892 10 0 DCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000333405643 546079906 /nfs/dbraw/zinc/07/99/06/546079906.db2.gz FZUTXUFXWAKANH-KGYLQXTDSA-N 0 0 306.366 0.235 10 0 DCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000333574180 546085682 /nfs/dbraw/zinc/08/56/82/546085682.db2.gz YQRQPXHXKFMMPO-NRPXGKOBSA-N 0 0 306.406 0.863 10 0 DCAERN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](F)C3)C2=O)cn1 ZINC000333984183 546097021 /nfs/dbraw/zinc/09/70/21/546097021.db2.gz FHDUPPXEZWITGI-PWSUYJOCSA-N 0 0 309.345 0.669 10 0 DCAERN CO[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(N)cc2)C1 ZINC000402947768 546227272 /nfs/dbraw/zinc/22/72/72/546227272.db2.gz PTLIRFUFSVXHQY-ZDUSSCGKSA-N 0 0 300.380 0.431 10 0 DCAERN CC(C)Cn1cc(C(=O)N2CC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000671606394 547266838 /nfs/dbraw/zinc/26/68/38/547266838.db2.gz DJOGSFAWEJXDKI-HNNXBMFYSA-N 0 0 318.381 0.408 10 0 DCAERN C[C@H](CN[C@@H]1CCS(=O)(=O)c2ccccc21)S(C)(=O)=O ZINC000681394950 548245586 /nfs/dbraw/zinc/24/55/86/548245586.db2.gz YEDCTNNNYWXBCP-ZYHUDNBSSA-N 0 0 317.432 0.928 10 0 DCAERN C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1NS(C)(=O)=O ZINC000725273104 548749986 /nfs/dbraw/zinc/74/99/86/548749986.db2.gz ZATWXYFBDXJOQN-SCZZXKLOSA-N 0 0 304.441 0.485 10 0 DCAERN COC(=O)c1nc(C(=O)NCC2([S@@](C)=O)CC2)cs1 ZINC000721388336 660817578 /nfs/dbraw/zinc/81/75/78/660817578.db2.gz KMLIRHLKJFWICH-LJQANCHMSA-N 0 0 302.377 0.571 10 0 DCAERN CCN(Cc1occc1C)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093766 661157601 /nfs/dbraw/zinc/15/76/01/661157601.db2.gz ROZRBLDSGFSUEU-CHWSQXEVSA-N 0 0 320.349 0.774 10 0 DCAERN CCc1cc(C(=O)N[C@H]2COC[C@H]2Oc2cnn(C)c2)[nH]n1 ZINC000888094436 661159990 /nfs/dbraw/zinc/15/99/90/661159990.db2.gz ORXXZTIZGIEURV-QWHCGFSZSA-N 0 0 305.338 0.282 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCC[C@H](O)C(F)(F)F ZINC000337052923 661214165 /nfs/dbraw/zinc/21/41/65/661214165.db2.gz SSMIBRXUCHJEBY-YUMQZZPRSA-N 0 0 300.302 0.337 10 0 DCAERN CC(=O)NCCCOC(=O)c1cnc2c(C)cccn2c1=O ZINC000091090451 665476175 /nfs/dbraw/zinc/47/61/75/665476175.db2.gz NOVIYHUTBYGGPR-UHFFFAOYSA-N 0 0 303.318 0.686 10 0 DCAERN Nc1ncc(S(=O)(=O)N2CCC(F)(C3CC3)CC2)cn1 ZINC000724844984 657633324 /nfs/dbraw/zinc/63/33/24/657633324.db2.gz HPKHOGULOMRADJ-UHFFFAOYSA-N 0 0 300.359 0.962 10 0 DCAERN CC(C)(CNC(=O)c1ccc(Cl)nn1)CS(C)(=O)=O ZINC000723855998 657664242 /nfs/dbraw/zinc/66/42/42/657664242.db2.gz JPNXMVINLYCQCC-UHFFFAOYSA-N 0 0 305.787 0.931 10 0 DCAERN Cn1ccnc1COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000121088516 657708083 /nfs/dbraw/zinc/70/80/83/657708083.db2.gz DVJFLKQBCLSLPC-MRVPVSSYSA-N 0 0 305.256 0.874 10 0 DCAERN C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CNCCS2(=O)=O)[C@H]1C ZINC000725018427 658023217 /nfs/dbraw/zinc/02/32/17/658023217.db2.gz NZPBYNMDVCGTNI-VOAKCMCISA-N 0 0 302.440 0.704 10 0 DCAERN C[C@H](CNC(=O)c1cccnc1-n1cccn1)N1CCOCC1 ZINC000121709205 658140048 /nfs/dbraw/zinc/14/00/48/658140048.db2.gz JBKQNNWXQBKBBT-CYBMUJFWSA-N 0 0 315.377 0.718 10 0 DCAERN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(F)cc1 ZINC000724549211 658450658 /nfs/dbraw/zinc/45/06/58/658450658.db2.gz YPIVCSDYFFNHJL-CDMKHQONSA-N 0 0 301.339 0.908 10 0 DCAERN CC[C@H](c1ccccc1)S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000181442350 665583975 /nfs/dbraw/zinc/58/39/75/665583975.db2.gz GZZVFHXNEVBSNN-YNEHKIRRSA-N 0 0 318.416 0.710 10 0 DCAERN COC(=O)c1nc(C(=O)NCC2([S@](C)=O)CCC2)cs1 ZINC000721409472 658580912 /nfs/dbraw/zinc/58/09/12/658580912.db2.gz HRBOQQYPBDJFKX-FQEVSTJZSA-N 0 0 316.404 0.961 10 0 DCAERN CS[C@@H]1CC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)C1 ZINC000300678218 658665074 /nfs/dbraw/zinc/66/50/74/658665074.db2.gz UESIRVJUZLPMNS-GARJFASQSA-N 0 0 306.453 0.163 10 0 DCAERN C[C@@H]1CN(C(=O)c2c(Br)nnn2C)CCC1=O ZINC000310464139 659340552 /nfs/dbraw/zinc/34/05/52/659340552.db2.gz YUPGOWXGDKTQIC-ZCFIWIBFSA-N 0 0 301.144 0.629 10 0 DCAERN COCC[C@@H](COC)NS(=O)(=O)c1ncn(C)c1Cl ZINC000311833514 659374867 /nfs/dbraw/zinc/37/48/67/659374867.db2.gz PKUKFUBZOKYAJG-QMMMGPOBSA-N 0 0 311.791 0.403 10 0 DCAERN CN(C)c1noc(CN2CCC([C@@H](O)c3nccn3C)CC2)n1 ZINC000192766378 659421765 /nfs/dbraw/zinc/42/17/65/659421765.db2.gz AJRZRZLLXYEYCF-CYBMUJFWSA-N 0 0 320.397 0.815 10 0 DCAERN C[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)S(N)(=O)=O ZINC000398249741 659495092 /nfs/dbraw/zinc/49/50/92/659495092.db2.gz MDMYQGRHKAQWNB-BRZBPJHZSA-N 0 0 300.424 0.996 10 0 DCAERN CS(=O)(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000242803991 665745600 /nfs/dbraw/zinc/74/56/00/665745600.db2.gz FFOGPKZDBJRQDV-UHFFFAOYSA-N 0 0 308.359 0.707 10 0 DCAERN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NNC(=O)c1ccccc1 ZINC000182221226 665753977 /nfs/dbraw/zinc/75/39/77/665753977.db2.gz OARWLAXCPUSACN-WCQYABFASA-N 0 0 318.377 0.033 10 0 DCAERN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NNC(=O)c1ccccc1 ZINC000182221176 665754178 /nfs/dbraw/zinc/75/41/78/665754178.db2.gz OARWLAXCPUSACN-YPMHNXCESA-N 0 0 318.377 0.033 10 0 DCAERN C[C@@H](O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000178686067 661463754 /nfs/dbraw/zinc/46/37/54/661463754.db2.gz OJCPKFGUFPHMJU-WEKMIXOTSA-N 0 0 310.419 0.986 10 0 DCAERN O=C1C[C@@H](c2ccccn2)CN1CN1CCO[C@@]2(CCOC2)C1 ZINC000248993543 661538614 /nfs/dbraw/zinc/53/86/14/661538614.db2.gz LMZVLGGIVXTZKR-PBHICJAKSA-N 0 0 317.389 0.846 10 0 DCAERN COCCn1cnc2oc(C)c(C(=O)N3CCOCC3)c2c1=O ZINC000222753232 661630867 /nfs/dbraw/zinc/63/08/67/661630867.db2.gz RDFNHBOICXRFQT-UHFFFAOYSA-N 0 0 321.333 0.417 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCNC(=O)c1ccco1 ZINC000338951873 661809275 /nfs/dbraw/zinc/80/92/75/661809275.db2.gz UXYNFDFRJPSRDC-JTQLQIEISA-N 0 0 311.363 0.047 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](c1nncn1C)C(C)C ZINC000340738183 662109869 /nfs/dbraw/zinc/10/98/69/662109869.db2.gz GZMVQNGBGATBIQ-MNOVXSKESA-N 0 0 311.411 0.550 10 0 DCAERN NCc1nc(CN2CCS(=O)(=O)C3(CCCCC3)C2)no1 ZINC000262186691 662152434 /nfs/dbraw/zinc/15/24/34/662152434.db2.gz JGHJEZAXXXFVCQ-UHFFFAOYSA-N 0 0 314.411 0.462 10 0 DCAERN CC(C)c1nnc(CN(CCS(C)(=O)=O)C2CC2)n1C ZINC000179049283 662240916 /nfs/dbraw/zinc/24/09/16/662240916.db2.gz MAOCNEWQXLUTJX-UHFFFAOYSA-N 0 0 300.428 0.948 10 0 DCAERN CC(=O)N(C)CCc1noc(COCC(=O)OC(C)(C)C)n1 ZINC000351360202 662540108 /nfs/dbraw/zinc/54/01/08/662540108.db2.gz SADFBJPXPKVICE-UHFFFAOYSA-N 0 0 313.354 0.949 10 0 DCAERN CNC(=O)[C@@H](NC(=O)c1ccnc(-n2ccnc2)c1)C(C)C ZINC000179124170 662767623 /nfs/dbraw/zinc/76/76/23/662767623.db2.gz UJLNSGMYAMMZCI-ZDUSSCGKSA-N 0 0 301.350 0.768 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000729448860 662888854 /nfs/dbraw/zinc/88/88/54/662888854.db2.gz DPDLOZACRMVVOY-DMDPSCGWSA-N 0 0 315.439 0.133 10 0 DCAERN CC(C)CS(=O)(=O)CC(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000729706187 662907806 /nfs/dbraw/zinc/90/78/06/662907806.db2.gz JKNIHSNVYRVOFE-GFCCVEGCSA-N 0 0 307.412 0.713 10 0 DCAERN CC(=O)N1CC(C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000070815829 665930686 /nfs/dbraw/zinc/93/06/86/665930686.db2.gz QTMILGVMHJJSHN-UHFFFAOYSA-N 0 0 303.362 0.940 10 0 DCAERN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)O)cc1 ZINC000346403642 663161541 /nfs/dbraw/zinc/16/15/41/663161541.db2.gz MTDCPXHTFCXUMO-UWVGGRQHSA-N 0 0 300.380 0.484 10 0 DCAERN C[C@@H](O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000346509359 663202332 /nfs/dbraw/zinc/20/23/32/663202332.db2.gz OLGFPUNSPFMVMM-VHSXEESVSA-N 0 0 300.380 0.436 10 0 DCAERN CN1CCO[C@@H](CNC(=O)[C@@H]2CSC(c3ccccc3)=N2)C1 ZINC000900439842 663244635 /nfs/dbraw/zinc/24/46/35/663244635.db2.gz SKWQPCNXFAVEPD-KBPBESRZSA-N 0 0 319.430 0.995 10 0 DCAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H]1OCCN(C)C1=O ZINC000900869791 663291498 /nfs/dbraw/zinc/29/14/98/663291498.db2.gz GJHSCPGQWXHZPC-GXTWGEPZSA-N 0 0 306.362 0.565 10 0 DCAERN CC[C@H](O)[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000907575499 663706126 /nfs/dbraw/zinc/70/61/26/663706126.db2.gz CBRWFCQAHSEHLR-XQQFMLRXSA-N 0 0 321.425 0.499 10 0 DCAERN COC[C@H]1CN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC(C)(C)O1 ZINC000908090792 663731631 /nfs/dbraw/zinc/73/16/31/663731631.db2.gz RYHBQBLRXIEGOL-RAIGVLPGSA-N 0 0 324.381 0.240 10 0 DCAERN C=CC(=O)N(CC)CC(=O)N1CCCNC(=O)[C@@H]1CC(C)C ZINC000908409820 663754323 /nfs/dbraw/zinc/75/43/23/663754323.db2.gz TYOAMLMXXFRNQY-ZDUSSCGKSA-N 0 0 309.410 0.784 10 0 DCAERN O=C(N[C@@H]1C[C@H](O)[C@H]1n1cccn1)c1ccc(NC2CC2)nc1 ZINC000909167054 663785283 /nfs/dbraw/zinc/78/52/83/663785283.db2.gz REABDNBBZLLHOG-IPYPFGDCSA-N 0 0 313.361 0.957 10 0 DCAERN Cn1nc2c(c1C(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1)CCCC2 ZINC000909171061 663785656 /nfs/dbraw/zinc/78/56/56/663785656.db2.gz ATABAUSSSVLBPG-NFAWXSAZSA-N 0 0 315.377 0.600 10 0 DCAERN CC(C)c1nccn1CC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909189325 663785928 /nfs/dbraw/zinc/78/59/28/663785928.db2.gz HSROKNNYFQBHGS-YRGRVCCFSA-N 0 0 303.366 0.694 10 0 DCAERN O=C([C@H]1CCCN1c1ncccn1)N1CC[C@@H](n2ccnn2)C1 ZINC000911822343 664112616 /nfs/dbraw/zinc/11/26/16/664112616.db2.gz PQMIFRVJCYKTKA-CHWSQXEVSA-N 0 0 313.365 0.511 10 0 DCAERN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N1CCOC[C@@H]1CO ZINC000912424564 664174644 /nfs/dbraw/zinc/17/46/44/664174644.db2.gz GDMICXUEDKQOQA-DZGCQCFKSA-N 0 0 307.346 0.688 10 0 DCAERN O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCOC[C@@H]1CO ZINC000912427350 664175233 /nfs/dbraw/zinc/17/52/33/664175233.db2.gz JERMSKXDFXWWPI-LBPRGKRZSA-N 0 0 320.345 0.170 10 0 DCAERN CC[C@H](O)CN1CCN(C(=O)[C@H](O)c2cccc(OC)c2)CC1 ZINC000163629221 664242759 /nfs/dbraw/zinc/24/27/59/664242759.db2.gz RONMRHVSXXFUQU-GOEBONIOSA-N 0 0 322.405 0.644 10 0 DCAERN CC(C)[C@H]1OCC[C@@H]1C(=O)NCC12COCCN1CCOC2 ZINC000913300122 664297214 /nfs/dbraw/zinc/29/72/14/664297214.db2.gz VXNJKCKKQCHSCB-UONOGXRCSA-N 0 0 312.410 0.265 10 0 DCAERN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000226054335 664498445 /nfs/dbraw/zinc/49/84/45/664498445.db2.gz ZXCOYKDKLSIQSG-WPRPVWTQSA-N 0 0 316.379 0.857 10 0 DCAERN CNC(=O)C1(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)CC1 ZINC000440149059 664504368 /nfs/dbraw/zinc/50/43/68/664504368.db2.gz IVSZEQGNELNTON-SNVBAGLBSA-N 0 0 305.382 0.831 10 0 DCAERN Cc1cnn(C[C@H]2CN(CC(=O)N3CCO[C@H](C)C3)CCO2)c1 ZINC000171608452 664610758 /nfs/dbraw/zinc/61/07/58/664610758.db2.gz HDKOSZBBHIJDRS-HUUCEWRRSA-N 0 0 322.409 0.140 10 0 DCAERN CCOC(=O)C[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230021601 664612008 /nfs/dbraw/zinc/61/20/08/664612008.db2.gz DLZVIKLJJDYWBF-GFCCVEGCSA-N 0 0 316.398 0.853 10 0 DCAERN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC000230298968 664617929 /nfs/dbraw/zinc/61/79/29/664617929.db2.gz XIFASRWGPCMDGE-HBNTYKKESA-N 0 0 303.380 0.221 10 0 DCAERN COC1CC(NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 ZINC000230658549 664623327 /nfs/dbraw/zinc/62/33/27/664623327.db2.gz RVXPZCUMQGQOPQ-UHFFFAOYSA-N 0 0 302.327 0.380 10 0 DCAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nc1C ZINC000172763560 664624704 /nfs/dbraw/zinc/62/47/04/664624704.db2.gz XTZUDLFLNAZBFO-LBPRGKRZSA-N 0 0 314.411 0.871 10 0 DCAERN Cc1nn(C)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000172769414 664624972 /nfs/dbraw/zinc/62/49/72/664624972.db2.gz FTVDIRNUBVAFLK-UHFFFAOYSA-N 0 0 321.362 0.165 10 0 DCAERN Cc1nn(C)cc1NC(=O)CNC(=O)COc1ccccc1 ZINC000172858542 664625274 /nfs/dbraw/zinc/62/52/74/664625274.db2.gz ACRUZURONVNDQK-UHFFFAOYSA-N 0 0 302.334 0.862 10 0 DCAERN CC(C)C[C@H]1CC(=O)N(CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000174077875 664635410 /nfs/dbraw/zinc/63/54/10/664635410.db2.gz IJGKNBCEPNFWHJ-STQMWFEESA-N 0 0 317.455 0.462 10 0 DCAERN C[C@](O)(CNC(=O)CNC(=O)c1cccnc1)c1ccccc1 ZINC000151543688 664679272 /nfs/dbraw/zinc/67/92/72/664679272.db2.gz XHTBTAVOBQTNTF-KRWDZBQOSA-N 0 0 313.357 0.835 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@@H](C)Cn1ccnc1C ZINC000741083050 664705527 /nfs/dbraw/zinc/70/55/27/664705527.db2.gz RSTPAVQTJBBGMV-GIPWTMENSA-N 0 0 300.428 0.895 10 0 DCAERN CC[S@@](=O)CCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000741421501 664837235 /nfs/dbraw/zinc/83/72/35/664837235.db2.gz QQYXCUWGIWMJTL-XUSGNXJCSA-N 0 0 314.407 0.494 10 0 DCAERN CN(C)C(=O)CNC(=S)N[C@H]1CCN(c2ccccc2)C1=O ZINC000731570079 664871634 /nfs/dbraw/zinc/87/16/34/664871634.db2.gz KVKUXZOSZHVCJP-LBPRGKRZSA-N 0 0 320.418 0.344 10 0 DCAERN O=C(CCN1CCOCC1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000731652490 664875402 /nfs/dbraw/zinc/87/54/02/664875402.db2.gz NXLKRKCOQICAHN-OAHLLOKOSA-N 0 0 317.389 0.630 10 0 DCAERN O=C(CCN1CCOCC1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000731652487 664875587 /nfs/dbraw/zinc/87/55/87/664875587.db2.gz NXLKRKCOQICAHN-HNNXBMFYSA-N 0 0 317.389 0.630 10 0 DCAERN O=C(/C=C/C1CCOCC1)NCCCN1CCCS1(=O)=O ZINC000732659749 664950234 /nfs/dbraw/zinc/95/02/34/664950234.db2.gz XROOYKPBEHUEFB-ONEGZZNKSA-N 0 0 316.423 0.511 10 0 DCAERN COC(=O)c1cn(CN2CCC[C@@H](Cn3ccnn3)C2)nn1 ZINC000154911033 665199186 /nfs/dbraw/zinc/19/91/86/665199186.db2.gz VRFFHIHOVSLXIU-LLVKDONJSA-N 0 0 305.342 0.026 10 0 DCAERN O=C(NN1CCOCC1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000175162599 665314746 /nfs/dbraw/zinc/31/47/46/665314746.db2.gz ZXUZRDQMMZEWRL-QWHCGFSZSA-N 0 0 304.346 0.925 10 0 DCAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC(C(N)=O)C(N)=O ZINC000071832891 666171516 /nfs/dbraw/zinc/17/15/16/666171516.db2.gz VOXUQALEHYYVET-SNVBAGLBSA-N 0 0 320.393 0.381 10 0 DCAERN O=c1c2ccccc2nnn1CN1CCO[C@]2(CCOC2)C1 ZINC000184271820 666193616 /nfs/dbraw/zinc/19/36/16/666193616.db2.gz YXPWEEIONZTHFE-OAHLLOKOSA-N 0 0 302.334 0.240 10 0 DCAERN O=C1C[C@@H](c2ccccn2)CN1CN1CCO[C@]2(CCOC2)C1 ZINC000184281976 666193717 /nfs/dbraw/zinc/19/37/17/666193717.db2.gz LMZVLGGIVXTZKR-RHSMWYFYSA-N 0 0 317.389 0.846 10 0 DCAERN CNC(=O)c1cncc(/C=C/C(=O)NCCc2ccnn2C)c1 ZINC000185825936 666590710 /nfs/dbraw/zinc/59/07/10/666590710.db2.gz JMRDGONVUYOONZ-ONEGZZNKSA-N 0 0 313.361 0.547 10 0 DCAERN CC[C@@H](C)C(=O)NNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000186140149 666695672 /nfs/dbraw/zinc/69/56/72/666695672.db2.gz FWJUQEBXEXKQOI-SECBINFHSA-N 0 0 303.326 0.861 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000733882119 666823629 /nfs/dbraw/zinc/82/36/29/666823629.db2.gz KJEWBMXMWGUMEJ-QFIPXVFZSA-N 0 0 321.402 0.590 10 0 DCAERN CC[S@](=O)CCNC(=O)c1ccccc1S(=O)(=O)CC ZINC000733882911 666823853 /nfs/dbraw/zinc/82/38/53/666823853.db2.gz QYIJMMWHCYKVBQ-IBGZPJMESA-N 0 0 317.432 0.979 10 0 DCAERN CC[S@@](=O)CCNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000733899066 666824496 /nfs/dbraw/zinc/82/44/96/666824496.db2.gz YZZGWVBOTYWWDS-GOSISDBHSA-N 0 0 303.405 0.764 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000733964617 666832691 /nfs/dbraw/zinc/83/26/91/666832691.db2.gz RJNHGHBEMKTUOD-BIBXISHDSA-N 0 0 302.440 0.908 10 0 DCAERN CC[S@@](=O)CCNC(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000733962651 666832783 /nfs/dbraw/zinc/83/27/83/666832783.db2.gz MTGDZNDVTGUQPY-XUSGNXJCSA-N 0 0 311.407 0.671 10 0 DCAERN CC[S@@](=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000733964810 666832992 /nfs/dbraw/zinc/83/29/92/666832992.db2.gz BINUDZFQEFFMCF-RCDICMHDSA-N 0 0 322.430 0.920 10 0 DCAERN CC[S@](=O)CCNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000733964690 666833009 /nfs/dbraw/zinc/83/30/09/666833009.db2.gz SZLKXWFJWCPIPE-YBTHPKLGSA-N 0 0 302.440 0.956 10 0 DCAERN CC[S@](=O)CCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000733967833 666833260 /nfs/dbraw/zinc/83/32/60/666833260.db2.gz ZKHYPIIIEINZRU-QFIPXVFZSA-N 0 0 321.402 0.625 10 0 DCAERN CC[S@](=O)CCNC(=O)CSCC(=O)N1CCCCC1 ZINC000733969323 666833511 /nfs/dbraw/zinc/83/35/11/666833511.db2.gz ZICADWYBTMWOLE-FQEVSTJZSA-N 0 0 320.480 0.617 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)NCCOC[C@H]1CCCO1 ZINC000734449376 666876639 /nfs/dbraw/zinc/87/66/39/666876639.db2.gz YJUHIPUGXDGEQA-NEPJUHHUSA-N 0 0 302.396 0.220 10 0 DCAERN CCOCCCOC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000118150642 666914418 /nfs/dbraw/zinc/91/44/18/666914418.db2.gz YGTCZXVGTNWUSU-UHFFFAOYSA-N 0 0 306.318 0.660 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)OCC1CCN(C(C)=O)CC1 ZINC000734895902 666925882 /nfs/dbraw/zinc/92/58/82/666925882.db2.gz MQIOZFVHJZTGGC-CYBMUJFWSA-N 0 0 314.407 0.710 10 0 DCAERN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC[S@](C)=O ZINC000735052877 666944345 /nfs/dbraw/zinc/94/43/45/666944345.db2.gz PBWFLYHCZNSXJS-QFIPXVFZSA-N 0 0 322.390 0.660 10 0 DCAERN CC[S@](=O)CCNS(=O)(=O)c1cccc2c1COC2=O ZINC000735081521 666948435 /nfs/dbraw/zinc/94/84/35/666948435.db2.gz SGWKDECVVNTKIH-IBGZPJMESA-N 0 0 317.388 0.404 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000735095973 666951783 /nfs/dbraw/zinc/95/17/83/666951783.db2.gz LUXFWBUWMCGWPL-OABGYEMISA-N 0 0 317.455 0.844 10 0 DCAERN CC[S@@](=O)CCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000735110405 666954190 /nfs/dbraw/zinc/95/41/90/666954190.db2.gz KSLUITRLLWHQIP-OAQYLSRUSA-N 0 0 317.455 0.655 10 0 DCAERN CC[S@](=O)CCNC(=O)NCC(=O)NCc1ccccc1 ZINC000735114576 666955612 /nfs/dbraw/zinc/95/56/12/666955612.db2.gz YLJKARICQNDKLM-NRFANRHFSA-N 0 0 311.407 0.371 10 0 DCAERN CC[S@](=O)CCNC(=O)C(=O)Nc1ccccc1N(C)C ZINC000735200394 666964617 /nfs/dbraw/zinc/96/46/17/666964617.db2.gz PYBGVGVXVHNDMX-NRFANRHFSA-N 0 0 311.407 0.576 10 0 DCAERN CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000735200180 666968481 /nfs/dbraw/zinc/96/84/81/666968481.db2.gz KWACKXGWBDWBML-HXUWFJFHSA-N 0 0 304.318 0.788 10 0 DCAERN CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702815587 666999106 /nfs/dbraw/zinc/99/91/06/666999106.db2.gz UJNXENSVSWFUQW-GMTAPVOTSA-N 0 0 302.371 0.365 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cncnc2)C1 ZINC000702818492 666999461 /nfs/dbraw/zinc/99/94/61/666999461.db2.gz JSOWCVOBKKJNIV-NEPJUHHUSA-N 0 0 322.365 0.434 10 0 DCAERN O=S(=O)(c1ccc(Cl)nc1F)N1CCO[C@@H](CO)C1 ZINC000703023317 667030674 /nfs/dbraw/zinc/03/06/74/667030674.db2.gz LSLAANGTDIWQCU-SSDOTTSWSA-N 0 0 310.734 0.256 10 0 DCAERN CNC(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000118978070 667050955 /nfs/dbraw/zinc/05/09/55/667050955.db2.gz IVYGVBCUWGJAJK-SMDDNHRTSA-N 0 0 308.309 0.634 10 0 DCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1F ZINC000703178615 667064881 /nfs/dbraw/zinc/06/48/81/667064881.db2.gz KLUMZTSDPLAFSN-NKWVEPMBSA-N 0 0 321.761 0.820 10 0 DCAERN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CCCS(=O)(=O)C2)CO1 ZINC000703309936 667080701 /nfs/dbraw/zinc/08/07/01/667080701.db2.gz JRDZXWMJOGBZSR-QWRGUYRKSA-N 0 0 320.411 0.704 10 0 DCAERN Cc1nc(Cl)ccc1S(=O)(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703504850 667092480 /nfs/dbraw/zinc/09/24/80/667092480.db2.gz OGDVWLOKPAXRRC-DTORHVGOSA-N 0 0 317.798 0.928 10 0 DCAERN CC[S@](=O)CCNC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000736658671 667213892 /nfs/dbraw/zinc/21/38/92/667213892.db2.gz DSMUXPKPXIAVKT-ZBUHCNDUSA-N 0 0 305.444 0.163 10 0 DCAERN CCOCc1nc(Cl)cc(N2C[C@H](CO)[C@H](CO)C2)n1 ZINC000707552832 667440491 /nfs/dbraw/zinc/44/04/91/667440491.db2.gz UJXINZMZYCHFQU-AOOOYVTPSA-N 0 0 301.774 0.704 10 0 DCAERN CO[C@]1(CO)CCCN(S(=O)(=O)C2CCC(=O)CC2)C1 ZINC000708182712 667442118 /nfs/dbraw/zinc/44/21/18/667442118.db2.gz VNWKLRPXMPWPHE-CYBMUJFWSA-N 0 0 305.396 0.301 10 0 DCAERN CN(C[C@H]1CN(C)CCO1)S(=O)(=O)c1ncn(C)c1Cl ZINC000709504093 667445156 /nfs/dbraw/zinc/44/51/56/667445156.db2.gz NXBAIMDURRJJLP-SECBINFHSA-N 0 0 322.818 0.025 10 0 DCAERN COC[C@H](CCNC(=O)c1cnn(C)c1Br)OC ZINC000710628685 667447010 /nfs/dbraw/zinc/44/70/10/667447010.db2.gz WZIPRFOSNMDZJX-QMMMGPOBSA-N 0 0 320.187 0.964 10 0 DCAERN Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C(F)(F)F)C2)nn1 ZINC000711709124 667532119 /nfs/dbraw/zinc/53/21/19/667532119.db2.gz IRLBWZRYEIOFGW-VIFPVBQESA-N 0 0 311.285 0.473 10 0 DCAERN C[C@H](CC(N)=O)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000135103144 667570195 /nfs/dbraw/zinc/57/01/95/667570195.db2.gz ZICFUJFNOHRIHD-SSDOTTSWSA-N 0 0 316.770 0.530 10 0 DCAERN Nc1ccnc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000135155735 667573394 /nfs/dbraw/zinc/57/33/94/667573394.db2.gz AVIILWOGHOVCJR-NWDGAFQWSA-N 0 0 304.350 0.976 10 0 DCAERN CC(=O)CCN(C)C(=O)CCn1nnc2ccccc2c1=O ZINC000135577992 667611418 /nfs/dbraw/zinc/61/14/18/667611418.db2.gz YVKLRFUZBLVIDR-UHFFFAOYSA-N 0 0 302.334 0.619 10 0 DCAERN CCn1c(=O)[nH]c2cc(C(=O)N(C)CCC(C)=O)ccc2c1=O ZINC000135588596 667613049 /nfs/dbraw/zinc/61/30/49/667613049.db2.gz HFQWGZRWNFJATC-UHFFFAOYSA-N 0 0 317.345 0.761 10 0 DCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000037487552 667649602 /nfs/dbraw/zinc/64/96/02/667649602.db2.gz NBSHFYIRGXJNRM-GHMZBOCLSA-N 0 0 309.309 0.953 10 0 DCAERN CCN(CC(=O)OC)Cn1ncn(CCCOC)c1=S ZINC000738042056 667650120 /nfs/dbraw/zinc/65/01/20/667650120.db2.gz QRQVLIKKBCYAHS-UHFFFAOYSA-N 0 0 302.400 0.903 10 0 DCAERN CCN(CCS(C)(=O)=O)C(=O)N[C@H]1CCCN(CC)C1 ZINC000122570769 667656011 /nfs/dbraw/zinc/65/60/11/667656011.db2.gz NHQDXULFAVSSRT-LBPRGKRZSA-N 0 0 305.444 0.547 10 0 DCAERN CC[C@@H]1CN(S(=O)(=O)N(C)C(C)C)CCN1C[C@@H](C)O ZINC000122730968 667676492 /nfs/dbraw/zinc/67/64/92/667676492.db2.gz POMDVGUSAYXEAO-CHWSQXEVSA-N 0 0 307.460 0.348 10 0 DCAERN CCn1[nH]c(C)nc1=NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000888530325 667688652 /nfs/dbraw/zinc/68/86/52/667688652.db2.gz CIRLOHBMXBZJQF-NSHDSACASA-N 0 0 304.358 0.489 10 0 DCAERN COC(=O)[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1 ZINC000103147372 667699312 /nfs/dbraw/zinc/69/93/12/667699312.db2.gz KEWSSIGOKPUURL-STQMWFEESA-N 0 0 301.289 0.872 10 0 DCAERN COc1nc(C)nc(N2CC[C@@H]3OCCN(C(C)=O)[C@@H]3C2)c1C ZINC000886038283 667726740 /nfs/dbraw/zinc/72/67/40/667726740.db2.gz PXCYRGVVSNBART-KGLIPLIRSA-N 0 0 320.393 0.928 10 0 DCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)on1 ZINC000886084769 667730107 /nfs/dbraw/zinc/73/01/07/667730107.db2.gz GGMYMYSBRRQTOM-ZWNOBZJWSA-N 0 0 317.349 0.808 10 0 DCAERN CCc1cc(C(=O)N2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)[nH]n1 ZINC000886084799 667730331 /nfs/dbraw/zinc/73/03/31/667730331.db2.gz HWFAEEDFMNXSOZ-GXFFZTMASA-N 0 0 304.354 0.355 10 0 DCAERN CCc1ncc(CN2CCC[C@@](O)(Cc3nncn3C)C2)cn1 ZINC000886089049 667730922 /nfs/dbraw/zinc/73/09/22/667730922.db2.gz SONXQZUDTSBHOL-MRXNPFEDSA-N 0 0 316.409 0.737 10 0 DCAERN CCn1nnc(C)c1CN1CCC[C@@](O)(Cc2nc(C)no2)C1 ZINC000886091799 667730939 /nfs/dbraw/zinc/73/09/39/667730939.db2.gz XCOIFPUSOXKOFE-OAHLLOKOSA-N 0 0 320.397 0.867 10 0 DCAERN CC(C)c1cc(N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)ncn1 ZINC000886095359 667731476 /nfs/dbraw/zinc/73/14/76/667731476.db2.gz TUKUPIFQWPZLBK-INIZCTEOSA-N 0 0 320.393 0.966 10 0 DCAERN CC[C@@H](CO)N1CCN(C(=O)[C@H](O)c2cccc(OC)c2)CC1 ZINC000123278235 667752706 /nfs/dbraw/zinc/75/27/06/667752706.db2.gz FDZYPIMZWIILED-GOEBONIOSA-N 0 0 322.405 0.644 10 0 DCAERN CC[S@](=O)CCNC(=O)NC1CCC2(CC1)OCCO2 ZINC000741078080 667757940 /nfs/dbraw/zinc/75/79/40/667757940.db2.gz SNZOQNOFAVISOS-FQEVSTJZSA-N 0 0 304.412 0.740 10 0 DCAERN CC[S@](=O)CCNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000741090286 667758538 /nfs/dbraw/zinc/75/85/38/667758538.db2.gz PGTVNHGKLTXJGN-YUNKPMOVSA-N 0 0 305.444 0.023 10 0 DCAERN [NH3+]Cc1nc2c(s1)CCN(S(=O)(=O)c1ccns1)C2 ZINC000717699388 667876503 /nfs/dbraw/zinc/87/65/03/667876503.db2.gz WGXAHPNLQSJTSE-UHFFFAOYSA-N 0 0 316.433 0.805 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N[C@@H]1CCc2ccccc21 ZINC000126508310 668615844 /nfs/dbraw/zinc/61/58/44/668615844.db2.gz DJAITZUGYGFBQR-TZMCWYRMSA-N 0 0 308.403 0.567 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]1C1CCCC1 ZINC000126713325 668646809 /nfs/dbraw/zinc/64/68/09/668646809.db2.gz NWUBHVLPDFKWAJ-ZIAGYGMSSA-N 0 0 314.451 0.944 10 0 DCAERN COc1ccccc1N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000126719275 668648211 /nfs/dbraw/zinc/64/82/11/668648211.db2.gz KPHXQQBFBCQIQS-NSHDSACASA-N 0 0 312.391 0.435 10 0 DCAERN C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)CCN1)C1CCCCC1 ZINC000126731717 668652292 /nfs/dbraw/zinc/65/22/92/668652292.db2.gz TZWVSBICXJUHJU-YPMHNXCESA-N 0 0 302.440 0.848 10 0 DCAERN O=C(C[C@@H]1CS(=O)(=O)CCN1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000126813790 668665064 /nfs/dbraw/zinc/66/50/64/668665064.db2.gz ZETYXHNSGUBKJE-XQQFMLRXSA-N 0 0 300.424 0.554 10 0 DCAERN O=C(CN1CCN(c2ccccn2)CC1)OC1CCOCC1 ZINC000127301302 668917014 /nfs/dbraw/zinc/91/70/14/668917014.db2.gz HBXUNSADNGSAEX-UHFFFAOYSA-N 0 0 305.378 0.926 10 0 DCAERN Cc1cc(C)n([C@@H]2CCCN(C(=O)C[C@H]3CC(=O)NC3=O)C2)n1 ZINC000932122132 669321212 /nfs/dbraw/zinc/32/12/12/669321212.db2.gz NRQSZIORUIKQAX-CHWSQXEVSA-N 0 0 318.377 0.716 10 0 DCAERN Cn1ncc2c1nnn(C[C@H](O)c1ccccc1Cl)c2=O ZINC000133047649 669774804 /nfs/dbraw/zinc/77/48/04/669774804.db2.gz QSXCLZHRFWNVOP-NSHDSACASA-N 0 0 305.725 0.912 10 0 DCAERN Cc1noc(C)c1S(=O)(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000041120455 669823014 /nfs/dbraw/zinc/82/30/14/669823014.db2.gz OXIWNAHUJDVSGG-JTQLQIEISA-N 0 0 315.351 0.553 10 0 DCAERN O=C(CCn1cncn1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000158973082 669931974 /nfs/dbraw/zinc/93/19/74/669931974.db2.gz BFGOIGMRHDDLJG-QWHCGFSZSA-N 0 0 320.349 0.612 10 0 DCAERN COc1ccccc1[C@@H](O)CNS(=O)(=O)N(C)C(C)C ZINC000159372463 669936637 /nfs/dbraw/zinc/93/66/37/669936637.db2.gz YQKCVNKXOAIYAA-LBPRGKRZSA-N 0 0 302.396 0.903 10 0 DCAERN O=C(Cc1[nH]nc2c1CCCC2)N1CCO[C@]2(CCOC2)C1 ZINC000188446181 670011514 /nfs/dbraw/zinc/01/15/14/670011514.db2.gz PRWNSYVXMZMVCU-MRXNPFEDSA-N 0 0 305.378 0.849 10 0 DCAERN CCc1nn(C)c(Cl)c1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000188707754 670039586 /nfs/dbraw/zinc/03/95/86/670039586.db2.gz XGXQARPRCVEQSL-JTQLQIEISA-N 0 0 314.817 0.775 10 0 DCAERN CCN1CN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1=O ZINC000191586312 670066752 /nfs/dbraw/zinc/06/67/52/670066752.db2.gz HZYBZFMJTFBOJY-SECBINFHSA-N 0 0 317.349 0.305 10 0 DCAERN COC[C@@H]1CN(CN2Cc3ccc(OC)cc3C2=O)CCO1 ZINC000189744917 670154570 /nfs/dbraw/zinc/15/45/70/670154570.db2.gz SAIIWRUXFJNZFH-AWEZNQCLSA-N 0 0 306.362 0.956 10 0 DCAERN NC(=O)C1=NO[C@H](CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000189845958 670166847 /nfs/dbraw/zinc/16/68/47/670166847.db2.gz AKEJUPBHCWPLJK-NSHDSACASA-N 0 0 305.309 0.604 10 0 DCAERN Cn1cc(Cn2nc3n(c2=O)CCCC3)c(Br)n1 ZINC000713838775 670170419 /nfs/dbraw/zinc/17/04/19/670170419.db2.gz GUIIRZYLPRCLBT-UHFFFAOYSA-N 0 0 312.171 0.925 10 0 DCAERN CC(=O)N[C@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000713859797 670171205 /nfs/dbraw/zinc/17/12/05/670171205.db2.gz NNZIKJUYUAPJOL-JTQLQIEISA-N 0 0 301.188 0.893 10 0 DCAERN NS(=O)(=O)C1(CNC(=O)Cc2ccccc2Cl)CC1 ZINC000713966822 670172770 /nfs/dbraw/zinc/17/27/70/670172770.db2.gz GGNZDYZDGKHVLC-UHFFFAOYSA-N 0 0 302.783 0.820 10 0 DCAERN C[C@H](OC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CC1 ZINC000079149121 670176791 /nfs/dbraw/zinc/17/67/91/670176791.db2.gz ZPTNWJZVJPBCFH-ZETCQYMHSA-N 0 0 306.322 0.224 10 0 DCAERN CC(C)(C)n1nnc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)n1 ZINC000715685430 670220124 /nfs/dbraw/zinc/22/01/24/670220124.db2.gz VYKKJJBXMYXCAG-SNVBAGLBSA-N 0 0 309.370 0.844 10 0 DCAERN CC[C@@H](C[C@@H](C)O)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000716858091 670270694 /nfs/dbraw/zinc/27/06/94/670270694.db2.gz XBZZTIKRKPXHAQ-PWSUYJOCSA-N 0 0 306.428 0.324 10 0 DCAERN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)nc1Cl ZINC000193789754 670349412 /nfs/dbraw/zinc/34/94/12/670349412.db2.gz DTTSNGPGJQQZTO-SECBINFHSA-N 0 0 317.798 0.943 10 0 DCAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000190258568 670403618 /nfs/dbraw/zinc/40/36/18/670403618.db2.gz DCMOKGOJDWIEBM-RKDXNWHRSA-N 0 0 318.337 0.597 10 0 DCAERN CCN1CN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1=O ZINC000190646140 670472939 /nfs/dbraw/zinc/47/29/39/670472939.db2.gz AYBHIKKZDZUONO-UHFFFAOYSA-N 0 0 308.359 0.871 10 0 DCAERN O=C(NCc1cccnc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000009858292 670660540 /nfs/dbraw/zinc/66/05/40/670660540.db2.gz GHKJXSKKOWWSMQ-UHFFFAOYSA-N 0 0 305.334 0.063 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(O)c1ccccc1 ZINC000114546447 670840111 /nfs/dbraw/zinc/84/01/11/670840111.db2.gz DEUQMGUEMVNGAP-HIFRSBDPSA-N 0 0 308.403 0.932 10 0 DCAERN CNC(=O)[C@@H]1Cn2c(C)nnc2CN1C(=O)c1coc(C)c1 ZINC000818370328 671010311 /nfs/dbraw/zinc/01/03/11/671010311.db2.gz LYPUYRJGUVRMGI-NSHDSACASA-N 0 0 303.322 0.259 10 0 DCAERN CC(C)N1C(=O)C(=O)N(CN2CC[C@@H](c3cnn(C)c3)C2)C1=O ZINC000116259195 671030447 /nfs/dbraw/zinc/03/04/47/671030447.db2.gz ZPAANOCBPBJVPD-LLVKDONJSA-N 0 0 319.365 0.366 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnnn2CC)cn1 ZINC000818596601 671033354 /nfs/dbraw/zinc/03/33/54/671033354.db2.gz IBSUBDIWFGUUNV-WCQYABFASA-N 0 0 320.353 0.091 10 0 DCAERN CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2n[nH]c(C)c2C)cn1 ZINC000818601750 671034791 /nfs/dbraw/zinc/03/47/91/671034791.db2.gz OTUGIPJVEHIEBQ-QWHCGFSZSA-N 0 0 319.365 0.819 10 0 DCAERN CS(=O)(=O)N[C@H]1CCN(Cn2ncn(C3CC3)c2=S)C1 ZINC000116869173 671132156 /nfs/dbraw/zinc/13/21/56/671132156.db2.gz RXNCDAKFCREJKY-VIFPVBQESA-N 0 0 317.440 0.330 10 0 DCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000116968783 671148613 /nfs/dbraw/zinc/14/86/13/671148613.db2.gz ZRNOIXGGNCXLFD-GTJPDFRWSA-N 0 0 317.455 0.844 10 0 DCAERN CCOC(=O)CN1CCC[C@@H](OC(=O)c2cn(C)nc2C)C1 ZINC000121452296 671828722 /nfs/dbraw/zinc/82/87/22/671828722.db2.gz LCKRHCPHHFILNS-GFCCVEGCSA-N 0 0 309.366 0.913 10 0 DCAERN CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000104910787 672036483 /nfs/dbraw/zinc/03/64/83/672036483.db2.gz FGYQBURJZSNRDD-ZIAGYGMSSA-N 0 0 308.403 0.628 10 0 DCAERN O=C([C@@H]1CNC(=O)C1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105817578 672235591 /nfs/dbraw/zinc/23/55/91/672235591.db2.gz FXLPPQMCNWKQMS-LSDHHAIUSA-N 0 0 317.389 0.000 10 0 DCAERN CCCS(=O)(=O)CCN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105827717 672236108 /nfs/dbraw/zinc/23/61/08/672236108.db2.gz PYQKJXUATBQLIT-ZIAGYGMSSA-N 0 0 306.472 0.588 10 0 DCAERN COc1ncc(S(=O)(=O)N[C@H]2CCNC(=O)CC2)s1 ZINC000396698725 685270900 /nfs/dbraw/zinc/27/09/00/685270900.db2.gz HPJZKTHQTNWULK-SSDOTTSWSA-N 0 0 305.381 0.099 10 0 DCAERN C[C@@H](CNC(=O)c1cc(Cl)nc(Cl)c1)S(N)(=O)=O ZINC000398306880 685274242 /nfs/dbraw/zinc/27/42/42/685274242.db2.gz XIOPKDKIPCJRQE-YFKPBYRVSA-N 0 0 312.178 0.795 10 0 DCAERN C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])S(N)(=O)=O ZINC000398279235 685274489 /nfs/dbraw/zinc/27/44/89/685274489.db2.gz KPCZUJNVPZHMGR-ZCFIWIBFSA-N 0 0 305.287 0.141 10 0 DCAERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416352977 685278584 /nfs/dbraw/zinc/27/85/84/685278584.db2.gz WAFNLZPHCVQGAF-ZJUUUORDSA-N 0 0 307.366 0.363 10 0 DCAERN CO[C@]1(CNC(=O)c2ccnc(Cl)c2)CCS(=O)(=O)C1 ZINC000720845486 685315561 /nfs/dbraw/zinc/31/55/61/685315561.db2.gz NKDBVAMSQOOODJ-LBPRGKRZSA-N 0 0 318.782 0.669 10 0 DCAERN CCOC(=O)[C@@H](N)C(=O)NCCOC(F)(F)C(F)(F)F ZINC000720311461 685312159 /nfs/dbraw/zinc/31/21/59/685312159.db2.gz XWJFXVVNUCYNKQ-YFKPBYRVSA-N 0 0 308.203 0.165 10 0 DCAERN C[C@H](C(=O)N1CCCC[C@@H]1CS(N)(=O)=O)[C@@H]1CCCO1 ZINC000720546333 685313701 /nfs/dbraw/zinc/31/37/01/685313701.db2.gz IGJKGYCKYQRWNV-TUAOUCFPSA-N 0 0 304.412 0.471 10 0 DCAERN Cc1sc(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CO)c1C ZINC000722583593 685319884 /nfs/dbraw/zinc/31/98/84/685319884.db2.gz WNUVZBNEBCEMRK-LBPRGKRZSA-N 0 0 318.464 0.970 10 0 DCAERN NC(=O)NCCNC(=O)c1cc(Br)cnc1Cl ZINC000096731157 685112583 /nfs/dbraw/zinc/11/25/83/685112583.db2.gz ADONSQDYOCCWFF-UHFFFAOYSA-N 0 0 321.562 0.896 10 0 DCAERN Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000176445413 685145434 /nfs/dbraw/zinc/14/54/34/685145434.db2.gz XCWHEQZFHCCKOO-UHFFFAOYSA-N 0 0 310.317 0.957 10 0 DCAERN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000180214958 685151588 /nfs/dbraw/zinc/15/15/88/685151588.db2.gz GJUZDEGUAAPRAM-SNVBAGLBSA-N 0 0 300.380 0.748 10 0 DCAERN Cn1ncc2c1nnn(CN1CCO[C@@H]3CCCC[C@H]31)c2=O ZINC000246140015 685161183 /nfs/dbraw/zinc/16/11/83/685161183.db2.gz BUGDDSPSVRPJND-VXGBXAGGSA-N 0 0 304.354 0.126 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000247081214 685169527 /nfs/dbraw/zinc/16/95/27/685169527.db2.gz HUYNSEVYAIVQEH-GJZGRUSLSA-N 0 0 316.405 0.956 10 0 DCAERN CC(=O)N[C@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C1 ZINC000248756149 685176680 /nfs/dbraw/zinc/17/66/80/685176680.db2.gz WMJZLCSGNCQZQK-BLLLJJGKSA-N 0 0 324.425 0.901 10 0 DCAERN C[C@@H]1CC[C@H](NC(=O)C[C@H]2CS(=O)(=O)CCN2)[C@H](C)C1 ZINC000252146105 685185726 /nfs/dbraw/zinc/18/57/26/685185726.db2.gz NXVWPUSRBHSNBI-NDBYEHHHSA-N 0 0 302.440 0.704 10 0 DCAERN COC(=O)c1ncn(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)n1 ZINC000254886811 685188277 /nfs/dbraw/zinc/18/82/77/685188277.db2.gz ZLGBOCKFXMGKGA-VIFPVBQESA-N 0 0 318.337 0.293 10 0 DCAERN CO[C@]1(C(=O)Nc2cnc(Br)cn2)CCOC1 ZINC000277244006 685195637 /nfs/dbraw/zinc/19/56/37/685195637.db2.gz RDJBTPJVXKAQER-SNVBAGLBSA-N 0 0 302.128 0.983 10 0 DCAERN CN(CCOCc1ccccc1)S(=O)(=O)c1cnc(N)nc1 ZINC000384151199 685243232 /nfs/dbraw/zinc/24/32/32/685243232.db2.gz VUCVAACKTJSHQA-UHFFFAOYSA-N 0 0 322.390 0.726 10 0 DCAERN NC(=O)CN1CCC(NC(=O)c2cc(Cl)ccc2N)CC1 ZINC000040335991 1157395714 /nfs/dbraw/zinc/39/57/14/1157395714.db2.gz MHIUNFPXBHTFDG-UHFFFAOYSA-N 0 0 310.785 0.602 10 0 DCAERN CC1(C)C[C@@H](O)CCN(S(=O)(=O)c2cnc(N)nc2)C1 ZINC000395471327 1157952365 /nfs/dbraw/zinc/95/23/65/1157952365.db2.gz XOAXLNUSSSOTSB-VIFPVBQESA-N 0 0 300.384 0.061 10 0 DCAERN CCOCc1nc(Cl)cc(NC[C@@H](C)S(N)(=O)=O)n1 ZINC000398465910 1158119034 /nfs/dbraw/zinc/11/90/34/1158119034.db2.gz LCYPXSCGTASWCL-SSDOTTSWSA-N 0 0 308.791 0.177 10 0 DCAERN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CCc2cccnc21 ZINC000333539439 1158328720 /nfs/dbraw/zinc/32/87/20/1158328720.db2.gz ZRQRKINOLUZHOF-GFCCVEGCSA-N 0 0 301.346 0.767 10 0 DCAERN CC(C)(C)NC(=O)CCNCc1ccc(S(N)(=O)=O)o1 ZINC000228337146 1158503700 /nfs/dbraw/zinc/50/37/00/1158503700.db2.gz STLJHTRRDMOKSX-UHFFFAOYSA-N 0 0 303.384 0.321 10 0 DCAERN O=C(c1ccoc1Br)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388022706 1158967154 /nfs/dbraw/zinc/96/71/54/1158967154.db2.gz BICVAKWCPRCOOS-KNVOCYPGSA-N 0 0 313.107 0.387 10 0 DCAERN COc1cccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)c1 ZINC000041093390 1171504489 /nfs/dbraw/zinc/50/44/89/1171504489.db2.gz INVRVAXRSDFDSZ-UHFFFAOYSA-N 0 0 314.367 0.048 10 0 DCAERN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000044441035 1171568221 /nfs/dbraw/zinc/56/82/21/1171568221.db2.gz FCIBWLDOQRJFNG-UHFFFAOYSA-N 0 0 317.301 0.324 10 0 DCAERN CC(=O)N1CCC(C(=O)NCCNC(=O)c2ccoc2)CC1 ZINC000055394130 1171877481 /nfs/dbraw/zinc/87/74/81/1171877481.db2.gz KCXBQSSCRBWJLX-UHFFFAOYSA-N 0 0 307.350 0.384 10 0 DCAERN C[C@@H](O)C1CCN(Cc2nc(CS(C)(=O)=O)no2)CC1 ZINC000075738005 1173935711 /nfs/dbraw/zinc/93/57/11/1173935711.db2.gz SASKBDONZBDBQX-SECBINFHSA-N 0 0 303.384 0.207 10 0 DCAERN COC[C@H](O)CNC(=O)c1cc(Br)ccc1N ZINC000124018140 1176021414 /nfs/dbraw/zinc/02/14/14/1176021414.db2.gz YOVXLAIENOEYEZ-MRVPVSSYSA-N 0 0 303.156 0.768 10 0 DCAERN CCNC(=O)CNC(=O)c1cc(Br)ccc1N ZINC000123706398 1177059809 /nfs/dbraw/zinc/05/98/09/1177059809.db2.gz ZBUMXZUKXDZLDM-UHFFFAOYSA-N 0 0 300.156 0.897 10 0 DCAERN O=C(COC[C@@H]1CCOC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126013557 1177207506 /nfs/dbraw/zinc/20/75/06/1177207506.db2.gz PGUBENGATZJMGY-HIFRSBDPSA-N 0 0 324.421 0.947 10 0 DCAERN CNc1ccc(C(=O)NCC(C)(C)NS(C)(=O)=O)nc1 ZINC000228601371 1177519412 /nfs/dbraw/zinc/51/94/12/1177519412.db2.gz WOXODIBZCQWBQJ-UHFFFAOYSA-N 0 0 300.384 0.181 10 0 DCAERN CCS(=O)(=O)NCC(=O)N[C@@H](c1nc(C)no1)C(C)C ZINC000134345753 1177531001 /nfs/dbraw/zinc/53/10/01/1177531001.db2.gz WGWUFPLSFZDBEP-SNVBAGLBSA-N 0 0 304.372 0.131 10 0 DCAERN Cc1cc(CN2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)no1 ZINC000156897216 1180559353 /nfs/dbraw/zinc/55/93/53/1180559353.db2.gz XFBBBFIVEZMPFG-GFCCVEGCSA-N 0 0 307.350 0.580 10 0 DCAERN COc1ccc(N2C[C@@H](C(=O)NCC(OC)OC)CC2=O)cc1 ZINC000170554578 1183668871 /nfs/dbraw/zinc/66/88/71/1183668871.db2.gz IJOLHNBUOGHUGZ-NSHDSACASA-N 0 0 322.361 0.783 10 0 DCAERN Cn1cc(CC(=O)NCCNC(=O)c2ccccc2O)cn1 ZINC000171270651 1183717874 /nfs/dbraw/zinc/71/78/74/1183717874.db2.gz OCTSEQQPOBZLOY-UHFFFAOYSA-N 0 0 302.334 0.214 10 0 DCAERN CCCC(=O)NC[C@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000176861338 1184222498 /nfs/dbraw/zinc/22/24/98/1184222498.db2.gz UDINXOISVMZHST-GFCCVEGCSA-N 0 0 307.398 0.892 10 0 DCAERN Cc1noc([C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(C)C)n1 ZINC000176817403 1184223179 /nfs/dbraw/zinc/22/31/79/1184223179.db2.gz CWZKJEZPEZJTDN-WPRPVWTQSA-N 0 0 303.384 0.872 10 0 DCAERN CC[C@](NC(=O)Cn1nnc2ccccc21)(C(N)=O)C(C)C ZINC000182530511 1185188423 /nfs/dbraw/zinc/18/84/23/1185188423.db2.gz UUBFOLMEYABYEG-OAHLLOKOSA-N 0 0 303.366 0.838 10 0 DCAERN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C2CC(=O)C2)CC1 ZINC000183530398 1185194580 /nfs/dbraw/zinc/19/45/80/1185194580.db2.gz IQWLCYZZIRKCOP-LBPRGKRZSA-N 0 0 321.421 0.557 10 0 DCAERN CCOC(=O)c1cn(C)nc1NC(=O)CCc1ccncn1 ZINC000191698535 1187959257 /nfs/dbraw/zinc/95/92/57/1187959257.db2.gz NCWQMYFQHUDAIY-UHFFFAOYSA-N 0 0 303.322 0.958 10 0 DCAERN NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cncc(Cl)c2)C1 ZINC000307952264 1190386855 /nfs/dbraw/zinc/38/68/55/1190386855.db2.gz DZFYNIPEQQWRIA-SNVBAGLBSA-N 0 0 303.771 0.628 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000316550927 1190414730 /nfs/dbraw/zinc/41/47/30/1190414730.db2.gz RPFJFNGGNYYZHX-WRWORJQWSA-N 0 0 315.167 0.457 10 0 DCAERN Nc1cc(Br)ccc1C(=O)N[C@@]1(CO)CCOC1 ZINC000393898591 1190702173 /nfs/dbraw/zinc/70/21/73/1190702173.db2.gz ZPHIDSOIDCYUCM-GFCCVEGCSA-N 0 0 315.167 0.913 10 0 DCAERN O=C(c1ccc(Br)nc1)N1CC[C@@H](O)[C@H](CO)C1 ZINC000396929552 1190702860 /nfs/dbraw/zinc/70/28/60/1190702860.db2.gz OHLGKZSRNSNOPC-VHSXEESVSA-N 0 0 315.167 0.659 10 0 DCAERN